smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000695422113 976795210 /nfs/dbraw/zinc/79/52/10/976795210.db2.gz FEECUYLDKLJFOS-GFCCVEGCSA-N 1 0 240.347 1.315 10 0 BDAERO CC[N@@H+]1CC[C@@H](C[NH2+]CCC(C)(C)C(=O)[O-])C1 ZINC000395617860 972812903 /nfs/dbraw/zinc/81/29/03/972812903.db2.gz RYKGWQZBZZIUEL-NSHDSACASA-N 1 0 242.363 1.419 10 0 BDAERO CC[C@H](C(=O)[O-])[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000692658894 954705839 /nfs/dbraw/zinc/70/58/39/954705839.db2.gz IRAFHPFUOYXKGG-WDEREUQCSA-N 1 0 228.336 1.266 10 0 BDAERO C[N@H+]1CC=C(C[NH2+]CCC(C)(C)C(=O)[O-])CC1 ZINC000392188853 972423846 /nfs/dbraw/zinc/42/38/46/972423846.db2.gz VHWRDGBZEDSFHP-UHFFFAOYSA-N 1 0 240.347 1.339 10 0 BDAERO C[NH+](C)C[C@H]1CC[N@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000688598293 976188491 /nfs/dbraw/zinc/18/84/91/976188491.db2.gz LRMDTBDGZZPCRS-LLVKDONJSA-N 1 0 240.347 1.125 10 0 BDAERO CC[N@H+](CC[C@@H]1CCC[NH+]1C)C(C)(C)C(=O)[O-] ZINC000692662189 976533000 /nfs/dbraw/zinc/53/30/00/976533000.db2.gz UWCDAHXTTBCXDD-NSHDSACASA-N 1 0 242.363 1.656 10 0 BDAERO CC[C@](C)([NH2+]CCC[NH+]1CCCCC1)C(=O)[O-] ZINC000695426207 976794810 /nfs/dbraw/zinc/79/48/10/976794810.db2.gz YXGIUFDOGGXWAC-ZDUSSCGKSA-N 1 0 242.363 1.705 10 0 BDAERO C/C(=C/C(=O)[O-])C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000705129079 977267969 /nfs/dbraw/zinc/26/79/69/977267969.db2.gz BZTOOVFQUJWDOR-SEVUFMINSA-N 1 0 240.347 1.291 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@H]1C[NH3+] ZINC000685953911 538898995 /nfs/dbraw/zinc/89/89/95/538898995.db2.gz JNFYFMRURJNULB-GRYCIOLGSA-N 1 0 247.404 1.821 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)CC)C[C@@H]1C ZINC000685954510 538899400 /nfs/dbraw/zinc/89/94/00/538899400.db2.gz NQYBBZZTRYQLHX-HBNTYKKESA-N 1 0 233.377 1.588 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000685954599 538899511 /nfs/dbraw/zinc/89/95/11/538899511.db2.gz OQBSVEIVHZNTQT-GARJFASQSA-N 1 0 233.377 1.575 10 0 BDAERO CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CCSC2 ZINC000685954904 538899738 /nfs/dbraw/zinc/89/97/38/538899738.db2.gz QFHZPBOLQAJVNM-UWVGGRQHSA-N 1 0 200.351 1.304 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000685954790 538900161 /nfs/dbraw/zinc/90/01/61/538900161.db2.gz PDDMEWSUGNTJOW-BBBLOLIVSA-N 1 0 219.350 1.326 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000685955165 538900912 /nfs/dbraw/zinc/90/09/12/538900912.db2.gz VKSVQVOBDOZFIL-HBNTYKKESA-N 1 0 233.377 1.575 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)C(C)C)C[C@H]1C ZINC000685955419 538901248 /nfs/dbraw/zinc/90/12/48/538901248.db2.gz ZGSVNOKGSQEDTP-IJLUTSLNSA-N 1 0 247.404 1.976 10 0 BDAERO CSC(C)(C)CN(C)CC(F)(F)CN ZINC000685957142 538903919 /nfs/dbraw/zinc/90/39/19/538903919.db2.gz RMFFUZPYQMKMQR-UHFFFAOYSA-N 1 0 226.336 1.654 10 0 BDAERO CC(C)[C@H](O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000336684259 187321116 /nfs/dbraw/zinc/32/11/16/187321116.db2.gz JMSYQXBOMBVMMJ-GMTAPVOTSA-N 1 0 201.310 1.113 10 0 BDAERO COCCC[NH2+]C[C@H]1C[C@]1(CO)C(C)C ZINC000685960909 538908018 /nfs/dbraw/zinc/90/80/18/538908018.db2.gz GVBJWFQBWFNINU-NEPJUHHUSA-N 1 0 215.337 1.267 10 0 BDAERO COCC[NH2+]CC[C@@H](CO)C1CCCCC1 ZINC000685961000 538908224 /nfs/dbraw/zinc/90/82/24/538908224.db2.gz LLXWRDSOKMWKCL-ZDUSSCGKSA-N 1 0 229.364 1.801 10 0 BDAERO Cc1cc(C)n(CC[NH2+][C@H](C)C2CC2)c(=O)n1 ZINC000053500113 177927937 /nfs/dbraw/zinc/92/79/37/177927937.db2.gz FGWFUDGERZKORY-LLVKDONJSA-N 1 0 235.331 1.248 10 0 BDAERO Cc1cc(C)n(CC[NH2+][C@@H]2CCO[C@@H]2C)n1 ZINC000292431150 177928379 /nfs/dbraw/zinc/92/83/79/177928379.db2.gz WDLJXDBPXPMKQX-VXGBXAGGSA-N 1 0 223.320 1.267 10 0 BDAERO CC(C)n1c2c(nc1N(C)C)C[NH2+]CC2 ZINC000685962536 538909875 /nfs/dbraw/zinc/90/98/75/538909875.db2.gz MCUNTFLLVYNCPJ-UHFFFAOYSA-N 1 0 208.309 1.176 10 0 BDAERO CC(C)(C)[NH2+]CC[C@@H](CO)[C@@H]1CCOC1 ZINC000685963160 538910048 /nfs/dbraw/zinc/91/00/48/538910048.db2.gz HUPKGCIPEWHZRU-WDEREUQCSA-N 1 0 215.337 1.410 10 0 BDAERO OC[C@H](CC[NH2+]C1CC1)[C@@H]1CCCOC1 ZINC000685963147 538910252 /nfs/dbraw/zinc/91/02/52/538910252.db2.gz HOVWFTZWQBERRR-WDEREUQCSA-N 1 0 213.321 1.164 10 0 BDAERO c1cc(-c2cnnn2[C@H]2CCC[NH2+]C2)cs1 ZINC000685952180 538896377 /nfs/dbraw/zinc/89/63/77/538896377.db2.gz ZLAKNZZKDVGEOT-JTQLQIEISA-N 1 0 234.328 1.931 10 0 BDAERO O=C(Nc1nc2c(s1)CCC2)[C@@H]1CC[NH2+]C1 ZINC000062116506 349438410 /nfs/dbraw/zinc/43/84/10/349438410.db2.gz ZUAXWMYUKRSGOS-SSDOTTSWSA-N 1 0 237.328 1.180 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)C(C)(C)C ZINC000161384876 349438428 /nfs/dbraw/zinc/43/84/28/349438428.db2.gz JGKUBQQOKBJRRS-WDEREUQCSA-N 1 0 238.375 1.927 10 0 BDAERO C=C(OCC)c1nn(C)cc1C[NH2+]CCC ZINC000685965184 538911579 /nfs/dbraw/zinc/91/15/79/538911579.db2.gz SEYHCPYTKKBPRV-UHFFFAOYSA-N 1 0 223.320 1.927 10 0 BDAERO Cc1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1F ZINC000685965615 538912211 /nfs/dbraw/zinc/91/22/11/538912211.db2.gz LDSDHCCYXMJDEA-PWSUYJOCSA-N 1 0 208.280 1.538 10 0 BDAERO CCCC[NH2+]CC[C@@H](CO)[C@@H]1CCCOC1 ZINC000685963398 538912813 /nfs/dbraw/zinc/91/28/13/538912813.db2.gz NJDWQMMBAFEWKS-QWHCGFSZSA-N 1 0 229.364 1.801 10 0 BDAERO CCC(CC)(CO)C[NH2+]Cc1ccnc(C)n1 ZINC000161534783 168327912 /nfs/dbraw/zinc/32/79/12/168327912.db2.gz RAEHQRSVYOKQCV-UHFFFAOYSA-N 1 0 237.347 1.673 10 0 BDAERO OCC[C@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000161580458 349475822 /nfs/dbraw/zinc/47/58/22/349475822.db2.gz ODWUVMMYKSJHKE-GFCCVEGCSA-N 1 0 220.316 1.328 10 0 BDAERO CCC(CC)(CO)NC(=O)C1(C)CC[NH2+]CC1 ZINC000062841502 168328728 /nfs/dbraw/zinc/32/87/28/168328728.db2.gz KKPWFQJVEJOKIW-UHFFFAOYSA-N 1 0 242.363 1.043 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CC[C@H](O)C1 ZINC000061710627 187322516 /nfs/dbraw/zinc/32/25/16/187322516.db2.gz IBBFKTABHFYQAV-ZJUUUORDSA-N 1 0 206.289 1.277 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616612110 349477622 /nfs/dbraw/zinc/47/76/22/349477622.db2.gz NTNPMNWFRFUGPK-CQSZACIVSA-N 1 0 241.338 1.983 10 0 BDAERO CCC[C@H](C[NH3+])[C@@H](O)c1cncs1 ZINC000161778726 538918255 /nfs/dbraw/zinc/91/82/55/538918255.db2.gz DMCZWIIBUMSYQT-VXNVDRBHSA-N 1 0 200.307 1.552 10 0 BDAERO Cc1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC000213562757 349493647 /nfs/dbraw/zinc/49/36/47/349493647.db2.gz OYKVDRNFBGNONU-UHFFFAOYSA-N 1 0 216.284 1.568 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCC(F)(F)F ZINC000063101001 349506019 /nfs/dbraw/zinc/50/60/19/349506019.db2.gz KSCDMRLOVWEBBY-QMMMGPOBSA-N 1 0 238.253 1.445 10 0 BDAERO C[C@H]([NH3+])c1ccccc1N1CC[C@H](O)C1 ZINC000061710626 187323044 /nfs/dbraw/zinc/32/30/44/187323044.db2.gz IBBFKTABHFYQAV-UWVGGRQHSA-N 1 0 206.289 1.277 10 0 BDAERO Cc1cccc(CC(=O)NCC[C@@H](C)[NH3+])c1 ZINC000063170058 349500887 /nfs/dbraw/zinc/50/08/87/349500887.db2.gz PXDACRBFORRHDM-LLVKDONJSA-N 1 0 220.316 1.391 10 0 BDAERO COC[C@]1(C(=O)Nc2cncc(C)c2)CCC[NH2+]1 ZINC000649332061 398148970 /nfs/dbraw/zinc/14/89/70/398148970.db2.gz UELQECIKGVVHNX-ZDUSSCGKSA-N 1 0 249.314 1.097 10 0 BDAERO c1[nH]c2ccccc2c1[C@@H]1C[NH2+]CCO1 ZINC000071486505 398154066 /nfs/dbraw/zinc/15/40/66/398154066.db2.gz XNTVTDNPTYDQBN-LBPRGKRZSA-N 1 0 202.257 1.829 10 0 BDAERO Cc1cc(C[NH2+]CCO)ccc1OC(C)C ZINC000098124861 178020854 /nfs/dbraw/zinc/02/08/54/178020854.db2.gz YKOQEHOFKDAOJG-UHFFFAOYSA-N 1 0 223.316 1.864 10 0 BDAERO Cc1cc(Cn2c(N)[nH+]c3ccccc32)no1 ZINC000044726547 178073284 /nfs/dbraw/zinc/07/32/84/178073284.db2.gz QPLZFQXRKAYWLQ-UHFFFAOYSA-N 1 0 228.255 1.963 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCc2ccccc2C1 ZINC000035825701 398171973 /nfs/dbraw/zinc/17/19/73/398171973.db2.gz JZJQWZTUYFRBLR-CQSZACIVSA-N 1 0 246.354 1.945 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCC(=O)NC2)c(C)n1C ZINC000104331903 178038674 /nfs/dbraw/zinc/03/86/74/178038674.db2.gz IWAPOORRFNUEBP-LBPRGKRZSA-N 1 0 235.331 1.010 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCN(C)C2)c(C)n1C ZINC000052790449 178039534 /nfs/dbraw/zinc/03/95/34/178039534.db2.gz GBTJWYPKRDPXRS-ZDUSSCGKSA-N 1 0 221.348 1.436 10 0 BDAERO CC(C)(C)CCCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643711564 398180175 /nfs/dbraw/zinc/18/01/75/398180175.db2.gz VUAAPSVLBBNCIU-LLVKDONJSA-N 1 0 242.363 1.165 10 0 BDAERO C[C@@H]([NH3+])CCNCc1ccc(F)cc1F ZINC000258722402 349514446 /nfs/dbraw/zinc/51/44/46/349514446.db2.gz JABQDEANECGDMW-MRVPVSSYSA-N 1 0 214.259 1.792 10 0 BDAERO Cc1cc(Cl)ccc1OC[C@H](O)C[NH3+] ZINC000008028889 178070291 /nfs/dbraw/zinc/07/02/91/178070291.db2.gz DGLFKLZBJWAYQV-SECBINFHSA-N 1 0 215.680 1.347 10 0 BDAERO Cc1cc(Cl)nc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000095068907 178071919 /nfs/dbraw/zinc/07/19/19/178071919.db2.gz QCCNOOOVUULSDW-QMMMGPOBSA-N 1 0 226.711 1.223 10 0 BDAERO Cc1cc(Cn2cc[nH+]c2N)ccc1F ZINC000050544468 178074907 /nfs/dbraw/zinc/07/49/07/178074907.db2.gz DWKZKXCUOUUTGD-UHFFFAOYSA-N 1 0 205.236 1.961 10 0 BDAERO COCC[NH+](CCOC)C[C@@H]1CCC[C@@H](O)C1 ZINC000380110055 398187378 /nfs/dbraw/zinc/18/73/78/398187378.db2.gz ZIGCCQZHQKTPLH-CHWSQXEVSA-N 1 0 245.363 1.132 10 0 BDAERO C[C@@H](Cn1cc(C[NH3+])nn1)C1CCCCC1 ZINC000380169867 398189774 /nfs/dbraw/zinc/18/97/74/398189774.db2.gz WQGNONTZWZQRHQ-JTQLQIEISA-N 1 0 222.336 1.953 10 0 BDAERO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCNC1=O ZINC000050577861 178086793 /nfs/dbraw/zinc/08/67/93/178086793.db2.gz GFGONUQZPLNAOT-GFCCVEGCSA-N 1 0 236.290 1.502 10 0 BDAERO CC(C)C[C@@H]([NH3+])CN1CCS[C@@H](C)C1 ZINC000123486401 187326518 /nfs/dbraw/zinc/32/65/18/187326518.db2.gz ZZINLQPUJPNSSQ-WDEREUQCSA-N 1 0 216.394 1.797 10 0 BDAERO Cc1cc(F)ccc1[C@@H](CO)N1CC[NH2+]CC1 ZINC000050580798 178092567 /nfs/dbraw/zinc/09/25/67/178092567.db2.gz PUZLFSMSKPGDLS-CYBMUJFWSA-N 1 0 238.306 1.073 10 0 BDAERO Cc1cc(N(C)CC[NH+]2CCCC2)ncc1N ZINC000077369977 178098685 /nfs/dbraw/zinc/09/86/85/178098685.db2.gz PHJAKAIFXZDHLI-UHFFFAOYSA-N 1 0 234.347 1.504 10 0 BDAERO Cc1cc(N(C)C[C@@H](C)C[NH3+])nc(C)n1 ZINC000042455548 178099460 /nfs/dbraw/zinc/09/94/60/178099460.db2.gz VOPSYLXDLDAGEM-QMMMGPOBSA-N 1 0 208.309 1.124 10 0 BDAERO Cc1cc(N(CC[NH3+])C2CCCCC2)ncn1 ZINC000104318274 178102420 /nfs/dbraw/zinc/10/24/20/178102420.db2.gz PTVLOMQCKLXTDG-UHFFFAOYSA-N 1 0 234.347 1.883 10 0 BDAERO Cc1cc(N(CC[NH3+])C(C)C)nc(C)n1 ZINC000053706303 178102816 /nfs/dbraw/zinc/10/28/16/178102816.db2.gz SQUBOWMPGMNYSL-UHFFFAOYSA-N 1 0 208.309 1.267 10 0 BDAERO Cc1nc(C)c(C[N@H+]2CCC[C@@H](O)[C@@H]2C)o1 ZINC000649951655 398195869 /nfs/dbraw/zinc/19/58/69/398195869.db2.gz KJYGWXQJGYMTRR-GXSJLCMTSA-N 1 0 224.304 1.637 10 0 BDAERO C[C@@H]1[C@H](C)OCCN1C(=O)C1CCC([NH3+])CC1 ZINC000380569454 398200726 /nfs/dbraw/zinc/20/07/26/398200726.db2.gz QZCZQBDTHMRPDH-QKEWWQLBSA-N 1 0 240.347 1.140 10 0 BDAERO COc1ncc(C[NH2+]CC[C@@H]2CCCO2)s1 ZINC000380701628 398204564 /nfs/dbraw/zinc/20/45/64/398204564.db2.gz KZHZUOCKAFAAIM-VIFPVBQESA-N 1 0 242.344 1.810 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCCC[C@H]1CCO ZINC000386302340 398204941 /nfs/dbraw/zinc/20/49/41/398204941.db2.gz KNIWSODTHASWMS-STQMWFEESA-N 1 0 226.364 1.318 10 0 BDAERO CC[N@H+](C[C@@H]1CCCN1C)CC(C)(C)O ZINC000386291241 398205019 /nfs/dbraw/zinc/20/50/19/398205019.db2.gz HXBHEAHCKHPMNC-NSHDSACASA-N 1 0 214.353 1.173 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2cccc(CO)c2)C1 ZINC000616622035 398207085 /nfs/dbraw/zinc/20/70/85/398207085.db2.gz ZBQOIUBLIVAECL-AWEZNQCLSA-N 1 0 234.343 1.317 10 0 BDAERO Cc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)ccn1 ZINC000119787439 178137564 /nfs/dbraw/zinc/13/75/64/178137564.db2.gz PEAFGQASNCHIRY-LBPRGKRZSA-N 1 0 248.330 1.558 10 0 BDAERO C[C@]1(CO)CCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000408465063 398200615 /nfs/dbraw/zinc/20/06/15/398200615.db2.gz HVXLIKBKAMGHSX-NWDGAFQWSA-N 1 0 227.348 1.432 10 0 BDAERO Cc1cc(NC(=O)[C@@H]([NH3+])CC(C)C)no1 ZINC000011954321 178143520 /nfs/dbraw/zinc/14/35/20/178143520.db2.gz VCATXFCJIAUDLK-QMMMGPOBSA-N 1 0 211.265 1.295 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2)C1(C)C ZINC000336894358 398218279 /nfs/dbraw/zinc/21/82/79/398218279.db2.gz LVPKOAAGURNIRL-YNEHKIRRSA-N 1 0 240.391 1.874 10 0 BDAERO Cc1cc(NC(=O)c2cccc(CC[NH3+])c2)n[nH]1 ZINC000104443397 178150123 /nfs/dbraw/zinc/15/01/23/178150123.db2.gz JTERZMZGLACVOD-UHFFFAOYSA-N 1 0 244.298 1.472 10 0 BDAERO Cc1ocnc1C[NH2+][C@H]1CSC[C@H]1C ZINC000306564382 398211311 /nfs/dbraw/zinc/21/13/11/398211311.db2.gz QKARXOMGJIBKFH-XCBNKYQSSA-N 1 0 212.318 1.824 10 0 BDAERO Cc1cc(NCC[N@@H+](C)C(C)C)nnc1C ZINC000302821605 178159812 /nfs/dbraw/zinc/15/98/12/178159812.db2.gz RBONWRZRKXBHBL-UHFFFAOYSA-N 1 0 222.336 1.846 10 0 BDAERO Cc1cc(NCc2cccnc2)[nH+]cc1N ZINC000082533974 178174478 /nfs/dbraw/zinc/17/44/78/178174478.db2.gz FVNSOMCTHOWHGH-UHFFFAOYSA-N 1 0 214.272 1.979 10 0 BDAERO Cc1cc(N[C@H](C)CCCC[NH3+])ncn1 ZINC000308834877 178185889 /nfs/dbraw/zinc/18/58/89/178185889.db2.gz KVKHEROOTUNLLP-SECBINFHSA-N 1 0 208.309 1.714 10 0 BDAERO CC(C)[C@@H]([NH3+])C(=O)N(Cc1ccco1)C1CC1 ZINC000037806088 259300551 /nfs/dbraw/zinc/30/05/51/259300551.db2.gz KSLJDLFXRPJROJ-GFCCVEGCSA-N 1 0 236.315 1.754 10 0 BDAERO Cc1cc(OC[C@@H](O)C[NH3+])cc(C)c1Cl ZINC000008029028 178212020 /nfs/dbraw/zinc/21/20/20/178212020.db2.gz FORKZGADQIASFF-VIFPVBQESA-N 1 0 229.707 1.655 10 0 BDAERO Cc1cc(O[C@@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000095068976 178213523 /nfs/dbraw/zinc/21/35/23/178213523.db2.gz MXCXAXFHTRMRFM-SSDOTTSWSA-N 1 0 213.668 1.179 10 0 BDAERO C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)CCS1(=O)=O ZINC000382171901 361768541 /nfs/dbraw/zinc/76/85/41/361768541.db2.gz WOYGFLGBASVULQ-ROHXPCBUSA-N 1 0 243.372 1.340 10 0 BDAERO C[C@H](CO)Nc1ccc(C[NH3+])cc1Cl ZINC000070821528 361774507 /nfs/dbraw/zinc/77/45/07/361774507.db2.gz HCTUDAOKPPUBDE-SSDOTTSWSA-N 1 0 214.696 1.591 10 0 BDAERO C[C@](O)(C[C@H]1CCC[NH2+]1)c1cscn1 ZINC000306643146 361779121 /nfs/dbraw/zinc/77/91/21/361779121.db2.gz VZSDXDXTWVGMLR-SCZZXKLOSA-N 1 0 212.318 1.493 10 0 BDAERO NC1=[NH+]C[C@@H](c2csc(Br)c2)N1 ZINC000306642441 361766809 /nfs/dbraw/zinc/76/68/09/361766809.db2.gz SXXXICFDOSHHGX-YFKPBYRVSA-N 1 0 246.133 1.470 10 0 BDAERO Cc1cc([C@@H]([NH2+]C2CC2)C(N)=O)c(C)s1 ZINC000049687615 178237471 /nfs/dbraw/zinc/23/74/71/178237471.db2.gz YIMTWQNBFVRGNQ-SNVBAGLBSA-N 1 0 224.329 1.643 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)CC2CCC2)C1 ZINC000165238536 538935317 /nfs/dbraw/zinc/93/53/17/538935317.db2.gz OVOJJBRMFJOPIP-GXTWGEPZSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCCNC2=O)cs1 ZINC000335389714 178254373 /nfs/dbraw/zinc/25/43/73/178254373.db2.gz ZKYYAHYILRBOBM-GXSJLCMTSA-N 1 0 238.356 1.986 10 0 BDAERO Cc1cc([C@H]([NH3+])c2cncnc2)ccc1F ZINC000052887255 178262235 /nfs/dbraw/zinc/26/22/35/178262235.db2.gz AKAJOQVQTHYWMH-LBPRGKRZSA-N 1 0 217.247 1.972 10 0 BDAERO Cc1cc([C@H]([NH3+])[C@@H]2COCCO2)c(C)o1 ZINC000055301201 178262965 /nfs/dbraw/zinc/26/29/65/178262965.db2.gz DABKWGQRZQBYBU-QWRGUYRKSA-N 1 0 211.261 1.312 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000282389954 398241601 /nfs/dbraw/zinc/24/16/01/398241601.db2.gz OXSCIXJWBFNJRS-JQWIXIFHSA-N 1 0 218.300 1.443 10 0 BDAERO Cc1nnsc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000381262510 398242194 /nfs/dbraw/zinc/24/21/94/398242194.db2.gz SKCQTTGLCUTDMU-NXEZZACHSA-N 1 0 241.360 1.487 10 0 BDAERO [NH3+][C@H]1CCOC[C@H]1Cc1ccccc1F ZINC000076642396 398244286 /nfs/dbraw/zinc/24/42/86/398244286.db2.gz MQBKQLVAAKXZKM-PWSUYJOCSA-N 1 0 209.264 1.732 10 0 BDAERO Cc1cc2[nH]c(NCCO)[nH+]c2cc1C ZINC000005379687 178301549 /nfs/dbraw/zinc/30/15/49/178301549.db2.gz LTHLUBMGGSBGRN-UHFFFAOYSA-N 1 0 205.261 1.584 10 0 BDAERO CCC1(C(=O)N2CC[C@H]([NH+](C)C)C2)CCC1 ZINC000175979441 365638084 /nfs/dbraw/zinc/63/80/84/365638084.db2.gz QDEFNJSALKWCKT-NSHDSACASA-N 1 0 224.348 1.729 10 0 BDAERO Cc1noc2ncnc(N[C@H](C)CCCC[NH3+])c12 ZINC000381043114 398252244 /nfs/dbraw/zinc/25/22/44/398252244.db2.gz WKECNUDLLORXQE-MRVPVSSYSA-N 1 0 249.318 1.856 10 0 BDAERO Cc1ccc(-c2nc(C[C@@H](C)[NH3+])no2)o1 ZINC000054161473 178336310 /nfs/dbraw/zinc/33/63/10/178336310.db2.gz PFDMPQOVYDLBMI-ZCFIWIBFSA-N 1 0 207.233 1.528 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)[C@H](C)O1 ZINC000384570535 398259494 /nfs/dbraw/zinc/25/94/94/398259494.db2.gz JBHAULPNMUSHNZ-LVEVGFFFSA-N 1 0 213.321 1.445 10 0 BDAERO C[C@](O)(C[NH2+]C[C@H]1CCC[C@H]1O)C(F)(F)F ZINC000381455914 398258148 /nfs/dbraw/zinc/25/81/48/398258148.db2.gz IJKACTSXPPRNFR-HLTSFMKQSA-N 1 0 241.253 1.050 10 0 BDAERO CC(C)C[C@@H]([NH3+])[C@H](O)C(=O)OC(C)(C)C ZINC000138852326 538949559 /nfs/dbraw/zinc/94/95/59/538949559.db2.gz QQTDLBZDUYMEBT-BDAKNGLRSA-N 1 0 217.309 1.062 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@@H](C)C[NH3+])cn1 ZINC000042455010 178378039 /nfs/dbraw/zinc/37/80/39/178378039.db2.gz IDUIMRXEDUCYDK-VIFPVBQESA-N 1 0 221.304 1.057 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H](C2C(=O)CCCC2=O)C1 ZINC000230796267 538951129 /nfs/dbraw/zinc/95/11/29/538951129.db2.gz NNCJLDURSDNTRO-RKDXNWHRSA-N 1 0 209.289 1.313 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@H](C)C[NH3+])c(C)c1 ZINC000042454955 178378225 /nfs/dbraw/zinc/37/82/25/178378225.db2.gz CXTAWYWGIUHARZ-LLVKDONJSA-N 1 0 234.343 1.970 10 0 BDAERO Cc1ccc(C(=O)CN2CC[C@H]([NH3+])C2)cc1C ZINC000050242562 178373849 /nfs/dbraw/zinc/37/38/49/178373849.db2.gz FWLFZTVKZVIITR-ZDUSSCGKSA-N 1 0 232.327 1.519 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@](C)([NH3+])C1CC1 ZINC000042526211 168374496 /nfs/dbraw/zinc/37/44/96/168374496.db2.gz BDBSLRAJDUSRLN-CYBMUJFWSA-N 1 0 242.363 1.123 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000082281439 178395112 /nfs/dbraw/zinc/39/51/12/178395112.db2.gz IKPBFQUYPODSPZ-CYBMUJFWSA-N 1 0 232.327 1.771 10 0 BDAERO CC[C@](C)(C[NH3+])[C@H](O)c1ccns1 ZINC000404459296 538955349 /nfs/dbraw/zinc/95/53/49/538955349.db2.gz YTAFXZFQHQKELU-RKDXNWHRSA-N 1 0 200.307 1.552 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180199387 538957145 /nfs/dbraw/zinc/95/71/45/538957145.db2.gz GIDIZNDRRIUQHD-JQWIXIFHSA-N 1 0 236.363 1.853 10 0 BDAERO [NH3+]CCN1CC[C@H](c2ccnc3ccccc32)C1 ZINC000616613114 349600356 /nfs/dbraw/zinc/60/03/56/349600356.db2.gz YHGRAMQAAROHDX-LBPRGKRZSA-N 1 0 241.338 1.983 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000381812145 398273157 /nfs/dbraw/zinc/27/31/57/398273157.db2.gz HYAXQLTXHPBIMX-BBBLOLIVSA-N 1 0 210.321 1.289 10 0 BDAERO CCC[C@@H](C(=O)NCCOC(C)C)[NH+](C)C ZINC000182697953 538963799 /nfs/dbraw/zinc/96/37/99/538963799.db2.gz NXVLZLQQYBNDDW-NSHDSACASA-N 1 0 230.352 1.258 10 0 BDAERO CC[C@@H]1OCC[C@@H]1[C@@H]([NH3+])c1ccsn1 ZINC000306649521 361844640 /nfs/dbraw/zinc/84/46/40/361844640.db2.gz QLQOZQOLNCKBSQ-UJNFCWOMSA-N 1 0 212.318 1.958 10 0 BDAERO O=C(Nc1ccsc1Cl)[C@H]1CC[NH2+]1 ZINC000306654076 361861528 /nfs/dbraw/zinc/86/15/28/361861528.db2.gz HEMWPUSRDMYAKU-ZCFIWIBFSA-N 1 0 216.693 1.702 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CCSCC1 ZINC000335604349 136236023 /nfs/dbraw/zinc/23/60/23/136236023.db2.gz YJBWGEIIHJMUPP-PSASIEDQSA-N 1 0 228.361 1.139 10 0 BDAERO [NH3+][C@@H]1COc2c1cc(F)cc2Br ZINC000035655198 342754163 /nfs/dbraw/zinc/75/41/63/342754163.db2.gz VBTHEEIQMYZFBV-SSDOTTSWSA-N 1 0 232.052 1.980 10 0 BDAERO CNC(=O)[C@H]([NH2+]CCc1ccccc1)C(C)C ZINC000183641012 538967501 /nfs/dbraw/zinc/96/75/01/538967501.db2.gz GLJKNZWQNYKOQG-CYBMUJFWSA-N 1 0 234.343 1.589 10 0 BDAERO CC[NH+](CC)CCOCn1cnc2ccccc21 ZINC000005650042 342767878 /nfs/dbraw/zinc/76/78/78/342767878.db2.gz ZUHPCANRBBHPRK-UHFFFAOYSA-O 1 0 248.350 1.771 10 0 BDAERO O[C@H]1C[NH2+]Cc2ccc(Br)cc21 ZINC000146886105 342772946 /nfs/dbraw/zinc/77/29/46/342772946.db2.gz JLMPFNAKFUEINX-VIFPVBQESA-N 1 0 228.089 1.586 10 0 BDAERO C[C@@H]([NH2+]CCC(N)=O)c1ccc(Cl)s1 ZINC000036746757 398287488 /nfs/dbraw/zinc/28/74/88/398287488.db2.gz AWAJDODZPSTBEQ-ZCFIWIBFSA-N 1 0 232.736 1.928 10 0 BDAERO CC(C)[S@](=O)(=NC#N)c1ccc(C[NH3+])cc1 ZINC000148899487 342792384 /nfs/dbraw/zinc/79/23/84/342792384.db2.gz JURQHCIWAOCWKQ-MRXNPFEDSA-N 1 0 237.328 1.862 10 0 BDAERO c1ccc2c(c1)SC[C@H]2CN[C@@H]1CC[NH2+]C1 ZINC000335517775 398290201 /nfs/dbraw/zinc/29/02/01/398290201.db2.gz YTTFTTXQRCKFQS-GHMZBOCLSA-N 1 0 234.368 1.827 10 0 BDAERO C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[C@H]1CO ZINC000378664422 538972903 /nfs/dbraw/zinc/97/29/03/538972903.db2.gz FCXBLHNVFMDBRG-ATZCPNFKSA-N 1 0 211.330 1.650 10 0 BDAERO Cc1nc(C[NH3+])cc(C2CCOCC2)n1 ZINC000258992213 342816688 /nfs/dbraw/zinc/81/66/88/342816688.db2.gz GDZOAUBELFXTRE-UHFFFAOYSA-N 1 0 207.277 1.138 10 0 BDAERO [NH3+]C[C@@H]1CCCCN(C(=O)CC2CC2)C1 ZINC000380001275 538983550 /nfs/dbraw/zinc/98/35/50/538983550.db2.gz KAEJVBSPZXBKGA-NSHDSACASA-N 1 0 210.321 1.374 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc(F)cn2)C1 ZINC000381484429 539001982 /nfs/dbraw/zinc/00/19/82/539001982.db2.gz UROVTFADKGKWIP-MWLCHTKSSA-N 1 0 223.295 1.973 10 0 BDAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000381552162 539003711 /nfs/dbraw/zinc/00/37/11/539003711.db2.gz NCXWCJYUKQLNPA-MNOVXSKESA-N 1 0 223.320 1.122 10 0 BDAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCNC1=O ZINC000381411911 539000263 /nfs/dbraw/zinc/00/02/63/539000263.db2.gz SZNJLWXDWTZTIQ-HTQZYQBOSA-N 1 0 238.253 1.586 10 0 BDAERO CC(=O)N1CC[C@@H]([NH2+]CCC(C)C)[C@@H](C)C1 ZINC000390150815 539020076 /nfs/dbraw/zinc/02/00/76/539020076.db2.gz UBKQFWRJFLTJRU-WCQYABFASA-N 1 0 226.364 1.879 10 0 BDAERO CC(=O)N1CC[C@@H]([NH2+]CCC(C)C)[C@H](C)C1 ZINC000390150814 539020098 /nfs/dbraw/zinc/02/00/98/539020098.db2.gz UBKQFWRJFLTJRU-DGCLKSJQSA-N 1 0 226.364 1.879 10 0 BDAERO NC1=[NH+]CC[C@@H](c2cnn(C3CCC3)c2)N1 ZINC000725254510 539026650 /nfs/dbraw/zinc/02/66/50/539026650.db2.gz RXKBXEQHRCVCII-JTQLQIEISA-N 1 0 219.292 1.167 10 0 BDAERO CC1(C)CN(C(=O)C2CCCCC2)C[C@H]1[NH3+] ZINC000387986279 539014718 /nfs/dbraw/zinc/01/47/18/539014718.db2.gz RZAULILIJJZSJN-LLVKDONJSA-N 1 0 224.348 1.762 10 0 BDAERO COCCC1(C[NH2+]C(C)C)CCOCC1 ZINC000061674300 539015593 /nfs/dbraw/zinc/01/55/93/539015593.db2.gz SGNFAUIKWNRMJE-UHFFFAOYSA-N 1 0 215.337 1.818 10 0 BDAERO Cc1cc2c(c(C)c1)[C@H](CC[NH3+])C(=O)N2 ZINC000105544235 539016021 /nfs/dbraw/zinc/01/60/21/539016021.db2.gz XOWNHGVPIJSGFI-VIFPVBQESA-N 1 0 204.273 1.688 10 0 BDAERO CN(Cc1ccc(Cl)s1)C(N)=[NH2+] ZINC000042237950 361972983 /nfs/dbraw/zinc/97/29/83/361972983.db2.gz MAODXNDLONQVLX-UHFFFAOYSA-N 1 0 203.698 1.727 10 0 BDAERO CCC1(C)CCN(C[C@@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000062959787 539017287 /nfs/dbraw/zinc/01/72/87/539017287.db2.gz FFHXEZVEGLBOIW-STQMWFEESA-N 1 0 240.391 1.875 10 0 BDAERO CN(Cc1cc(Br)cs1)C(N)=[NH2+] ZINC000042399691 361996531 /nfs/dbraw/zinc/99/65/31/361996531.db2.gz VEVOJYGILJUMBL-UHFFFAOYSA-N 1 0 248.149 1.836 10 0 BDAERO CCOC(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000308692537 342862452 /nfs/dbraw/zinc/86/24/52/342862452.db2.gz RUYCYRBXIZCVNG-VIFPVBQESA-N 1 0 200.282 1.204 10 0 BDAERO Cc1cccc([C@@]2(O)C[N@@H+](C)C[C@@H]2C)c1 ZINC000521401578 398305112 /nfs/dbraw/zinc/30/51/12/398305112.db2.gz JCXDJNFSKKWOCZ-WCQYABFASA-N 1 0 205.301 1.764 10 0 BDAERO Cc1cccc([C@@]2(O)C[N@@H+](C)C[C@H]2C)c1 ZINC000521401577 398305296 /nfs/dbraw/zinc/30/52/96/398305296.db2.gz JCXDJNFSKKWOCZ-DGCLKSJQSA-N 1 0 205.301 1.764 10 0 BDAERO CN[C@@]1(C(F)F)C[C@H](C)[N@@H+](C2CC2)C1 ZINC000229950368 342858624 /nfs/dbraw/zinc/85/86/24/342858624.db2.gz VRJPXBJTZZOSHQ-XVKPBYJWSA-N 1 0 204.264 1.466 10 0 BDAERO C[C@@]1(c2nnc(CC[NH3+])o2)CCCS1 ZINC000164952025 342859615 /nfs/dbraw/zinc/85/96/15/342859615.db2.gz CXBWBSKNEYUNMB-VIFPVBQESA-N 1 0 213.306 1.313 10 0 BDAERO COC[C@H](C)NC1=[NH+][C@H](C)C[C@@H](C)S1 ZINC000164950585 342860436 /nfs/dbraw/zinc/86/04/36/342860436.db2.gz WADSLHGWFFDWPW-HRDYMLBCSA-N 1 0 216.350 1.881 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000233880304 342893801 /nfs/dbraw/zinc/89/38/01/342893801.db2.gz STMOOGPMSVPRQS-UWVGGRQHSA-N 1 0 246.351 1.260 10 0 BDAERO NC(=S)CC[N@@H+]1CC[C@@H]2CCCC[C@H]21 ZINC000134821246 342893845 /nfs/dbraw/zinc/89/38/45/342893845.db2.gz WLCIUUHDDUFLKF-VHSXEESVSA-N 1 0 212.362 1.927 10 0 BDAERO Cn1nncc1[C@H]([NH3+])[C@@]1(C)CCCS1 ZINC000165219176 342883525 /nfs/dbraw/zinc/88/35/25/342883525.db2.gz STTHFGSFNOIKME-DTWKUNHWSA-N 1 0 212.322 1.101 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1OCc1ccccc1 ZINC000044039759 398313009 /nfs/dbraw/zinc/31/30/09/398313009.db2.gz ZOBPTXOKYNJESF-OLZOCXBDSA-N 1 0 221.300 1.580 10 0 BDAERO CC(C)c1noc([C@@H]2CSC[C@H]2[NH3+])n1 ZINC000134796299 342890399 /nfs/dbraw/zinc/89/03/99/342890399.db2.gz HBJKUTBPRKXAOO-RNFRBKRXSA-N 1 0 213.306 1.351 10 0 BDAERO CSCc1noc([C@@H]2CSC[C@@H]2[NH3+])n1 ZINC000134805540 342892580 /nfs/dbraw/zinc/89/25/80/342892580.db2.gz NWMLRPXURADDLB-RITPCOANSA-N 1 0 231.346 1.090 10 0 BDAERO C[C@@H]1OCC[C@@H]1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000300612112 398323935 /nfs/dbraw/zinc/32/39/35/398323935.db2.gz GXODINNDYLCHTL-IGQOVBAYSA-N 1 0 238.375 1.580 10 0 BDAERO Cc1nc(C[NH2+][C@@H]2CCC[C@H](O)C2)cs1 ZINC000037166102 342923284 /nfs/dbraw/zinc/92/32/84/342923284.db2.gz XVYFKWGOZSJROC-KOLCDFICSA-N 1 0 226.345 1.845 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000234432333 342925266 /nfs/dbraw/zinc/92/52/66/342925266.db2.gz ZFMFAZHBFABYAP-MXWKQRLJSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000234431380 342925448 /nfs/dbraw/zinc/92/54/48/342925448.db2.gz IYQMUBZBLKWVCN-OPRDCNLKSA-N 1 0 230.377 1.385 10 0 BDAERO COC(=O)C1=C(O)CC[N@H+](CCC(C)C)C1 ZINC000058444202 398324721 /nfs/dbraw/zinc/32/47/21/398324721.db2.gz UZVSJHKTQUUMFG-JTQLQIEISA-N 1 0 227.304 1.097 10 0 BDAERO CCCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105800509 398325265 /nfs/dbraw/zinc/32/52/65/398325265.db2.gz FRERXJWRTVJMEW-UHFFFAOYSA-N 1 0 234.347 1.789 10 0 BDAERO CS[C@H]1C[NH2+]C[C@@H]1N1CCC(C)(C)C1 ZINC000134902710 342921394 /nfs/dbraw/zinc/92/13/94/342921394.db2.gz ZPQQRYHCXCQIBZ-UWVGGRQHSA-N 1 0 214.378 1.422 10 0 BDAERO [NH3+][C@@H]1C[C@@H](OCc2ccccc2)C[C@H]1O ZINC000575440820 398328238 /nfs/dbraw/zinc/32/82/38/398328238.db2.gz JCGDAFGJVGSHBY-IJLUTSLNSA-N 1 0 207.273 1.054 10 0 BDAERO C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)[C@H]1CCCO1 ZINC000392639636 398334386 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/nfs/dbraw/zinc/20/01/33/343200133.db2.gz FZRFGTDKVMOBLR-ZWNOBZJWSA-N 1 0 248.326 1.329 10 0 BDAERO Cc1nnc(N[C@@H](C)C[C@@H](C)[NH3+])nc1C ZINC000159039629 343201278 /nfs/dbraw/zinc/20/12/78/343201278.db2.gz UWCJWZHHGXVVIN-RQJHMYQMSA-N 1 0 209.297 1.026 10 0 BDAERO CC[NH+](CC)CCOc1cccc(O)c1N ZINC000163226985 343206232 /nfs/dbraw/zinc/20/62/32/343206232.db2.gz BEQUUTSIDFFECC-UHFFFAOYSA-N 1 0 224.304 1.695 10 0 BDAERO C[C@H]1C[NH2+]C[C@](F)(c2ccns2)C1 ZINC000401756290 343218603 /nfs/dbraw/zinc/21/86/03/343218603.db2.gz RKGLEYKJYZBZEC-APPZFPTMSA-N 1 0 200.282 1.937 10 0 BDAERO CCOC(=O)c1ccc(N(C)CCC[NH3+])nc1 ZINC000133825706 343186395 /nfs/dbraw/zinc/18/63/95/343186395.db2.gz XUJQQYRMCUIJNV-UHFFFAOYSA-N 1 0 237.303 1.043 10 0 BDAERO CC[NH+](CC)CCn1ncc2cc(N)ccc21 ZINC000165591098 343188020 /nfs/dbraw/zinc/18/80/20/343188020.db2.gz ZEKGZOJYSBFHMD-UHFFFAOYSA-N 1 0 232.331 1.960 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C ZINC000133410337 343190537 /nfs/dbraw/zinc/19/05/37/343190537.db2.gz RLUSFVUHGURURK-RKDXNWHRSA-N 1 0 200.326 1.665 10 0 BDAERO O=C1C=C2C=C[C@H]3C[C@]2(O1)[C@H]1CCC[N@@H+]31 ZINC000031829906 343225605 /nfs/dbraw/zinc/22/56/05/343225605.db2.gz NBGOALXYAZVRPS-HOSYDEDBSA-N 1 0 203.241 1.015 10 0 in-vitro BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000086573701 136281021 /nfs/dbraw/zinc/28/10/21/136281021.db2.gz OXOWQFDLTFHRIY-MUWHJKNJSA-N 1 0 210.302 1.345 10 0 BDAERO CCN(C)c1nc(NN)c(F)cc1F ZINC000233989562 343231087 /nfs/dbraw/zinc/23/10/87/343231087.db2.gz GTKDVEVQFJZBHP-UHFFFAOYSA-N 1 0 202.208 1.102 10 0 BDAERO Cc1ccc([C@H]([NH3+])C(N)=O)cc1Br ZINC000097898439 343238588 /nfs/dbraw/zinc/23/85/88/343238588.db2.gz PSSJLHWWCNQOSH-QMMMGPOBSA-N 1 0 243.104 1.243 10 0 BDAERO CC(C)(C)c1nc([C@](C)([NH3+])C2CC2)no1 ZINC000036764520 187249597 /nfs/dbraw/zinc/24/95/97/187249597.db2.gz XMYVYAAKANKDCS-LLVKDONJSA-N 1 0 209.293 1.951 10 0 BDAERO COC1=CCc2[nH]c3c(c2C1)CC[NH2+][C@H]3C ZINC000238394038 343255527 /nfs/dbraw/zinc/25/55/27/343255527.db2.gz QVMNCYURNCBYCG-QMMMGPOBSA-N 1 0 218.300 1.850 10 0 BDAERO C[C@@H]1SCC[N@H+](CC(N)=S)[C@H]1C ZINC000132409188 343223484 /nfs/dbraw/zinc/22/34/84/343223484.db2.gz AEOTXLCBLJRTSE-BQBZGAKWSA-N 1 0 204.364 1.098 10 0 BDAERO COc1ccc(CN(C)CCC(N)=[NH2+])cc1 ZINC000019834306 187252634 /nfs/dbraw/zinc/25/26/34/187252634.db2.gz GZXMQLDGJHVHKQ-UHFFFAOYSA-N 1 0 221.304 1.453 10 0 BDAERO COC(C[NH2+]Cc1ccc(C)s1)OC ZINC000034364566 343268243 /nfs/dbraw/zinc/26/82/43/343268243.db2.gz DITZRJDASVCMDP-UHFFFAOYSA-N 1 0 215.318 1.765 10 0 BDAERO OC[C@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000034504535 343273493 /nfs/dbraw/zinc/27/34/93/343273493.db2.gz DIMVGATXKOPJIK-ZDUSSCGKSA-N 1 0 220.316 1.062 10 0 BDAERO [NH3+]C[C@@H](c1c[nH]cn1)N1CCOc2ccccc21 ZINC000200227736 343275077 /nfs/dbraw/zinc/27/50/77/343275077.db2.gz FMJHMAJJRBJCCT-LBPRGKRZSA-N 1 0 244.298 1.309 10 0 BDAERO CCOC(=O)C1([C@H]2[NH2+]C(C)(C)C[C@H](C)O2)CC1 ZINC000217346375 343277592 /nfs/dbraw/zinc/27/75/92/343277592.db2.gz PFINTFVJOUAOSH-UWVGGRQHSA-N 1 0 241.331 1.833 10 0 BDAERO Cc1nc([C@@H]2CCCN2C(=O)CC[NH3+])cs1 ZINC000083885896 136286915 /nfs/dbraw/zinc/28/69/15/136286915.db2.gz XPOPXZAPEJAIAS-JTQLQIEISA-N 1 0 239.344 1.464 10 0 BDAERO Cc1nc([C@H]2CCCN2C(=O)CC[NH3+])cs1 ZINC000083885897 136286939 /nfs/dbraw/zinc/28/69/39/136286939.db2.gz XPOPXZAPEJAIAS-SNVBAGLBSA-N 1 0 239.344 1.464 10 0 BDAERO Cc1ccc2c(c1)[C@H]1C[NH2+]CC[C@H]1C2=O ZINC000035281518 343292419 /nfs/dbraw/zinc/29/24/19/343292419.db2.gz BMIILDGYLBULEW-PWSUYJOCSA-N 1 0 201.269 1.884 10 0 BDAERO CC(C)[N@H+](C)[C@H](C)C(=O)Nc1cccc(N)c1 ZINC000022166736 187255231 /nfs/dbraw/zinc/25/52/31/187255231.db2.gz IBKVHQYKAYQVMB-SNVBAGLBSA-N 1 0 235.331 1.936 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)C ZINC000070256812 343317171 /nfs/dbraw/zinc/31/71/71/343317171.db2.gz BTHJSZJCWGVOMK-LLVKDONJSA-N 1 0 214.353 1.735 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cccs1 ZINC000038048921 343368136 /nfs/dbraw/zinc/36/81/36/343368136.db2.gz BGJJVELJAGCHGD-IUCAKERBSA-N 1 0 224.329 1.748 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1CCCN(CC)C1 ZINC000070624206 343336028 /nfs/dbraw/zinc/33/60/28/343336028.db2.gz MGUQWTFCXPKLAE-VXGBXAGGSA-N 1 0 214.353 1.485 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000037187895 343338404 /nfs/dbraw/zinc/33/84/04/343338404.db2.gz VKEQMURACDGJJC-NXEZZACHSA-N 1 0 219.350 1.198 10 0 BDAERO Cc1nc2sccn2c1C[NH2+]C1CC1 ZINC000037183768 343338470 /nfs/dbraw/zinc/33/84/70/343338470.db2.gz ASXPMEWWPHPLRW-UHFFFAOYSA-N 1 0 207.302 1.956 10 0 BDAERO [NH3+][C@@H]1C[C@H]1c1ccc(Br)o1 ZINC000037381307 343344245 /nfs/dbraw/zinc/34/42/45/343344245.db2.gz GNHMFOXDCNCVFQ-RFZPGFLSSA-N 1 0 202.051 1.857 10 0 BDAERO CC(C)[N@H+](Cc1ccccc1N)[C@H](C)C(N)=O ZINC000035365829 187258399 /nfs/dbraw/zinc/25/83/99/187258399.db2.gz KVAZDAKKEHNMDA-SNVBAGLBSA-N 1 0 235.331 1.353 10 0 BDAERO CCc1ccc(O[C@H]2COCC[C@H]2[NH3+])cc1 ZINC000036305721 187259061 /nfs/dbraw/zinc/25/90/61/187259061.db2.gz VUCLWWVIZHVVIU-OLZOCXBDSA-N 1 0 221.300 1.744 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)CC2([NH3+])CC2)o1 ZINC000398242040 488215711 /nfs/dbraw/zinc/21/57/11/488215711.db2.gz ZMJDPAAHVHEMIC-MRVPVSSYSA-N 1 0 223.276 1.042 10 0 BDAERO CC[NH+](CC)[C@@H]1C(=O)O[C@@]2(C)CCOC[C@H]12 ZINC000039111041 343385465 /nfs/dbraw/zinc/38/54/65/343385465.db2.gz CZJYXHOMMHIACO-SCVCMEIPSA-N 1 0 227.304 1.049 10 0 BDAERO NC1=[NH+][C@@H](CCCc2ccccc2)CO1 ZINC000202055827 343393280 /nfs/dbraw/zinc/39/32/80/343393280.db2.gz KYRYRWLINOBGSL-NSHDSACASA-N 1 0 204.273 1.723 10 0 BDAERO CC(C)N(Cc1ccccn1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037817102 187261134 /nfs/dbraw/zinc/26/11/34/187261134.db2.gz SCWCTIRMDLSZGM-ZDUSSCGKSA-N 1 0 247.342 1.571 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(Cl)nc1C ZINC000234345718 343423441 /nfs/dbraw/zinc/42/34/41/343423441.db2.gz KZFYRHQUSAAZSC-UHFFFAOYSA-N 1 0 213.668 1.201 10 0 BDAERO CC[C@@H]([NH2+]C[C@H]1COCCO1)C(C)(C)C ZINC000308902901 346937021 /nfs/dbraw/zinc/93/70/21/346937021.db2.gz BRTFLXOCAGCXPW-WDEREUQCSA-N 1 0 215.337 1.816 10 0 BDAERO C[N@H+](CC1CC(O)C1)C[C@@H]1CCC(C)(C)O1 ZINC000166288185 136331792 /nfs/dbraw/zinc/33/17/92/136331792.db2.gz XBYHTPZWVQBKIQ-MCIGGMRASA-N 1 0 227.348 1.647 10 0 BDAERO C[N@H+](CC(C)(C)CO)[C@@H]1CCCC[C@@H]1O ZINC000166903145 136366550 /nfs/dbraw/zinc/36/65/50/136366550.db2.gz VCESZZHWBDISMY-MNOVXSKESA-N 1 0 215.337 1.240 10 0 BDAERO Cc1ccc(NC(=O)C[C@H](C)C[NH3+])cc1 ZINC000076583702 187261655 /nfs/dbraw/zinc/26/16/55/187261655.db2.gz QKKAWQMCPCYHRU-JTQLQIEISA-N 1 0 206.289 1.918 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2CCN(C3CC3)C2)n1 ZINC000054790876 136372941 /nfs/dbraw/zinc/37/29/41/136372941.db2.gz BKRVIOKHMLKKGL-LBPRGKRZSA-N 1 0 232.331 1.111 10 0 BDAERO Cc1nccc(CNCC[N@@H+](C)C(C)C)n1 ZINC000054790938 136373054 /nfs/dbraw/zinc/37/30/54/136373054.db2.gz BNTHFSVRBLJTPU-UHFFFAOYSA-N 1 0 222.336 1.215 10 0 BDAERO COC(=O)CCSC[C@H]1CCC[NH2+]1 ZINC000043497381 343475865 /nfs/dbraw/zinc/47/58/65/343475865.db2.gz XQPBYZVSLIKSAR-MRVPVSSYSA-N 1 0 203.307 1.035 10 0 BDAERO CCc1nsc(NC[C@H]([NH3+])CC)n1 ZINC000083670825 343494970 /nfs/dbraw/zinc/49/49/70/343494970.db2.gz WDNZJEQNQQHBDZ-ZCFIWIBFSA-N 1 0 200.311 1.250 10 0 BDAERO CCOC(=O)CC[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000310441148 343495924 /nfs/dbraw/zinc/49/59/24/343495924.db2.gz SMHBPKZJHVVHCZ-NEPJUHHUSA-N 1 0 243.347 1.423 10 0 BDAERO CC(C)(C)[C@@H]1CCOCC[N@@H+]1CCO ZINC000616599051 343518047 /nfs/dbraw/zinc/51/80/47/343518047.db2.gz WNWDPPZQDRSCEA-JTQLQIEISA-N 1 0 201.310 1.116 10 0 BDAERO Cc1noc(C)c1C(=O)C1CC[NH2+]CC1 ZINC000040177211 187263007 /nfs/dbraw/zinc/26/30/07/187263007.db2.gz JJLXEQVOKAWYKD-UHFFFAOYSA-N 1 0 208.261 1.474 10 0 BDAERO FC(F)(F)OCCO[C@H]1CCC[NH2+]C1 ZINC000084178341 343523476 /nfs/dbraw/zinc/52/34/76/343523476.db2.gz NKGFALGEHBCQJY-ZETCQYMHSA-N 1 0 213.199 1.291 10 0 BDAERO [NH3+][C@H](CO)Cc1ccc(F)cc1Cl ZINC000044463572 343501590 /nfs/dbraw/zinc/50/15/90/343501590.db2.gz MHYWYOBIRKSDAN-QMMMGPOBSA-N 1 0 203.644 1.341 10 0 BDAERO [NH3+][C@H](CO)Cc1cccc(Cl)c1Cl ZINC000044463898 343501710 /nfs/dbraw/zinc/50/17/10/343501710.db2.gz OLAPHIKESWMILR-ZETCQYMHSA-N 1 0 220.099 1.856 10 0 BDAERO Cc1ccc(NCC2CC[NH2+]CC2)nn1 ZINC000044509241 343504915 /nfs/dbraw/zinc/50/49/15/343504915.db2.gz ZWBINLYEXGNTMR-UHFFFAOYSA-N 1 0 206.293 1.197 10 0 BDAERO CC(C)([NH3+])C(=O)Nc1cccnc1Cl ZINC000040921691 187263865 /nfs/dbraw/zinc/26/38/65/187263865.db2.gz PTHAOKOIBDZRDV-UHFFFAOYSA-N 1 0 213.668 1.411 10 0 BDAERO CC1CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000624235371 343577983 /nfs/dbraw/zinc/57/79/83/343577983.db2.gz JESNVGNIWIZMMX-MMVSWEMESA-N 1 0 213.321 1.305 10 0 BDAERO CC(C)[C@H]([NH3+])c1noc(-c2cnn(C)c2)n1 ZINC000041052657 187263872 /nfs/dbraw/zinc/26/38/72/187263872.db2.gz AHCINBSZLVMSBG-QMMMGPOBSA-N 1 0 221.264 1.126 10 0 BDAERO N#Cc1ccc(N2CC[NH2+]CC2)c(F)c1F ZINC000167174738 343587192 /nfs/dbraw/zinc/58/71/92/343587192.db2.gz IONQVZCELOJFBZ-UHFFFAOYSA-N 1 0 223.226 1.246 10 0 BDAERO Nc1ccc(SC[C@H]2CCC[NH2+]2)cn1 ZINC000043497565 187266965 /nfs/dbraw/zinc/26/69/65/187266965.db2.gz VXVHXOMIEHLZSR-MRVPVSSYSA-N 1 0 209.318 1.508 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000624236765 343581847 /nfs/dbraw/zinc/58/18/47/343581847.db2.gz JAJKMZJERPZRKK-WUCCLRPBSA-N 1 0 247.338 1.672 10 0 BDAERO Cc1ccc([C@]2(O)CC[N@@H+](C)[C@@H]2C)cc1 ZINC000205063902 343617175 /nfs/dbraw/zinc/61/71/75/343617175.db2.gz CERVKVQTOIGOHT-YPMHNXCESA-N 1 0 205.301 1.907 10 0 BDAERO C(CN1CCSCC1)[C@@H]1CCCC[NH2+]1 ZINC000043498768 187267151 /nfs/dbraw/zinc/26/71/51/187267151.db2.gz PWPAZKUCFVMJSH-NSHDSACASA-N 1 0 214.378 1.567 10 0 BDAERO CC(C)N(CCO)[C@@H](C[NH3+])c1ccccc1F ZINC000043045479 187267158 /nfs/dbraw/zinc/26/71/58/187267158.db2.gz LGOPLGZZDOCMIU-ZDUSSCGKSA-N 1 0 240.322 1.528 10 0 BDAERO COc1ccnc(N[C@@H](C)CCC[NH3+])n1 ZINC000087362321 343645334 /nfs/dbraw/zinc/64/53/34/343645334.db2.gz QXNYSNVIIBJPJP-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BDAERO C[C@@H]1CN(C2CC[NH+](CCCF)CC2)CCO1 ZINC000178325600 346952486 /nfs/dbraw/zinc/95/24/86/346952486.db2.gz BJHBBZPRCGQXBS-GFCCVEGCSA-N 1 0 244.354 1.531 10 0 BDAERO COC(C)(C)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000159221073 349828851 /nfs/dbraw/zinc/82/88/51/349828851.db2.gz SEQKNTNBLZLMAD-UWVGGRQHSA-N 1 0 200.326 1.223 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1ccnc(C)n1 ZINC000087780243 343660498 /nfs/dbraw/zinc/66/04/98/343660498.db2.gz TXCFKPAQVYGSJI-JTQLQIEISA-N 1 0 208.309 1.714 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccc(O)cc1 ZINC000054685487 343690170 /nfs/dbraw/zinc/69/01/70/343690170.db2.gz RKURTQVWXSRGCI-GJZGRUSLSA-N 1 0 243.306 1.996 10 0 BDAERO C[NH2+][C@@H]1CCN(C2(C)CCCCC2)C1=O ZINC000045046071 187269096 /nfs/dbraw/zinc/26/90/96/187269096.db2.gz CDSJBABIQPKOAT-SNVBAGLBSA-N 1 0 210.321 1.530 10 0 BDAERO Cc1cc(N)c[nH+]c1N[C@H](C)[C@H]1CCCO1 ZINC000052812711 187270975 /nfs/dbraw/zinc/27/09/75/187270975.db2.gz UDOYWNXKTWHXHX-MWLCHTKSSA-N 1 0 221.304 1.952 10 0 BDAERO CC(C)[C@H](C[NH3+])n1nnc(-c2ccccc2)n1 ZINC000052574646 187271021 /nfs/dbraw/zinc/27/10/21/187271021.db2.gz NPKLVFHUEJVNJC-NSHDSACASA-N 1 0 231.303 1.496 10 0 BDAERO C[NH2+][C@@H]1CCN(CCc2ccco2)[C@H](C)C1 ZINC000049713513 187269908 /nfs/dbraw/zinc/26/99/08/187269908.db2.gz INWSGNAENYKORQ-VXGBXAGGSA-N 1 0 222.332 1.894 10 0 BDAERO CC(C)[C@H](C[NH+](C)C)NCC(=O)OC(C)(C)C ZINC000049205034 187270058 /nfs/dbraw/zinc/27/00/58/187270058.db2.gz NLDLGCUUMHFHHP-NSHDSACASA-N 1 0 244.379 1.504 10 0 BDAERO CN(C)c1ccc(N2CCC[NH2+]CCC2)cc1 ZINC000049666431 187270306 /nfs/dbraw/zinc/27/03/06/187270306.db2.gz YMJKFTVBQZMFGN-UHFFFAOYSA-N 1 0 233.359 1.942 10 0 BDAERO C[C@@H]1CN[C@@H](C)C[N@@H+]1C[Si](C)(C)C ZINC000401835234 343735514 /nfs/dbraw/zinc/73/55/14/343735514.db2.gz DQCXPGCHMPRRHN-VHSXEESVSA-N 1 0 200.402 1.546 10 0 BDAERO [NH3+][C@@H](CCSCCO)c1ccccc1 ZINC000059834988 343713571 /nfs/dbraw/zinc/71/35/71/343713571.db2.gz XNFUCLBLFWPNLZ-NSHDSACASA-N 1 0 211.330 1.802 10 0 BDAERO CC1CC(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000621672749 343713973 /nfs/dbraw/zinc/71/39/73/343713973.db2.gz RSUGVDFSYYHCGA-POSLAHMBSA-N 1 0 224.348 1.537 10 0 BDAERO CC1CC(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000621672751 343714006 /nfs/dbraw/zinc/71/40/06/343714006.db2.gz RSUGVDFSYYHCGA-RUJICJSRSA-N 1 0 224.348 1.537 10 0 BDAERO CC1CC(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000621672894 343714087 /nfs/dbraw/zinc/71/40/87/343714087.db2.gz XRZMRKOJYNJQAK-VGRIYTJTSA-N 1 0 210.321 1.004 10 0 BDAERO CSCC[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000380283341 343718696 /nfs/dbraw/zinc/71/86/96/343718696.db2.gz ZLHRTEMQMDNVAL-GXSJLCMTSA-N 1 0 230.377 1.196 10 0 BDAERO OCCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000405218511 343721739 /nfs/dbraw/zinc/72/17/39/343721739.db2.gz AHJAQXRADWMOGY-LLVKDONJSA-N 1 0 215.362 1.586 10 0 BDAERO Cc1cnc(C)c(N2CCC[C@@H]2C[NH2+]C2CC2)n1 ZINC000053694988 187272061 /nfs/dbraw/zinc/27/20/61/187272061.db2.gz HJQLDMZFEMQJRJ-CYBMUJFWSA-N 1 0 246.358 1.814 10 0 BDAERO CC(C)[NH+](CCNCc1ncccn1)C(C)C ZINC000054458804 187272098 /nfs/dbraw/zinc/27/20/98/187272098.db2.gz XTCSLROAPFYGSU-UHFFFAOYSA-N 1 0 236.363 1.685 10 0 BDAERO CC[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000053929751 187272284 /nfs/dbraw/zinc/27/22/84/187272284.db2.gz ZEJUDCXGSKGQCL-FRRDWIJNSA-N 1 0 239.359 1.839 10 0 BDAERO C[C@H]1COC[C@@H](CC(=O)c2cncs2)[NH2+]1 ZINC000124443502 537809306 /nfs/dbraw/zinc/80/93/06/537809306.db2.gz IWAQESFQLTZCCP-JGVFFNPUSA-N 1 0 226.301 1.093 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@H](C(C)(F)F)C1 ZINC000409427908 343802316 /nfs/dbraw/zinc/80/23/16/343802316.db2.gz LBXMSGRAKFFOPR-QMMMGPOBSA-N 1 0 220.263 1.100 10 0 BDAERO COc1ccc([C@](C)(F)C[NH3+])cc1OC ZINC000108328835 343786118 /nfs/dbraw/zinc/78/61/18/343786118.db2.gz NUQWAHNUVUAXSE-LLVKDONJSA-N 1 0 213.252 1.847 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1[NH3+] ZINC000215314367 343792267 /nfs/dbraw/zinc/79/22/67/343792267.db2.gz HMAUGCHVYGNMEL-IUCAKERBSA-N 1 0 214.309 1.733 10 0 BDAERO C[NH2+]Cc1cc(-c2ccncc2)nn1C ZINC000219966667 343792904 /nfs/dbraw/zinc/79/29/04/343792904.db2.gz QVOLTZHUYVYGAM-UHFFFAOYSA-N 1 0 202.261 1.202 10 0 BDAERO CC(C)c1ccc([C@@H]2C[NH2+]C[C@H]2N)cc1 ZINC000220990666 343793157 /nfs/dbraw/zinc/79/31/57/343793157.db2.gz BKZHCYURBXZCMY-QWHCGFSZSA-N 1 0 204.317 1.824 10 0 BDAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336663675 537816199 /nfs/dbraw/zinc/81/61/99/537816199.db2.gz KXGNAYIWDMZNMD-KXNHARMFSA-N 1 0 224.348 1.678 10 0 BDAERO COC(=O)C1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000234502695 343794680 /nfs/dbraw/zinc/79/46/80/343794680.db2.gz CCERDYQAJZJGPH-UHFFFAOYSA-N 1 0 235.287 1.053 10 0 BDAERO [NH3+]Cc1cnn(CC2CC(F)(F)C2)c1 ZINC000306727830 343797262 /nfs/dbraw/zinc/79/72/62/343797262.db2.gz JMBWKJBZZPJJPV-UHFFFAOYSA-N 1 0 201.220 1.387 10 0 BDAERO CC(C)=Cc1cc(N2CC[NH2+]CC2)nc(C)n1 ZINC000409427737 343801603 /nfs/dbraw/zinc/80/16/03/343801603.db2.gz CBGWAVOXYSBPOG-UHFFFAOYSA-N 1 0 232.331 1.618 10 0 BDAERO CCCCC[N@@H+]1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409422030 343812719 /nfs/dbraw/zinc/81/27/19/343812719.db2.gz BQXYZOFUTPDURS-WDEREUQCSA-N 1 0 229.320 1.032 10 0 BDAERO [NH3+]C1CN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000409423190 343814654 /nfs/dbraw/zinc/81/46/54/343814654.db2.gz LYPSGFNJNGWZQP-UHFFFAOYSA-N 1 0 230.311 1.349 10 0 BDAERO Cc1cc(-c2nc([C@@H]3CC[NH2+]C3)no2)no1 ZINC000409423287 343815346 /nfs/dbraw/zinc/81/53/46/343815346.db2.gz PNSUEBBIIOOLSB-SSDOTTSWSA-N 1 0 220.232 1.110 10 0 BDAERO FC[C@H]1C[NH2+]C[C@H]1c1ccc2c(c1)CCO2 ZINC000409423291 343815379 /nfs/dbraw/zinc/81/53/79/343815379.db2.gz POSPEQOBZJHEEP-RYUDHWBXSA-N 1 0 221.275 1.894 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1ccnc(Cl)c1 ZINC000238333651 537820708 /nfs/dbraw/zinc/82/07/08/537820708.db2.gz JAASWIUTZAQQKG-SSDOTTSWSA-N 1 0 214.652 1.298 10 0 BDAERO Cc1nc([C@@H]2C[NH2+]C[C@@H]2c2ccccn2)no1 ZINC000409424075 343816865 /nfs/dbraw/zinc/81/68/65/343816865.db2.gz SXBBLFRKMLHZFF-VHSXEESVSA-N 1 0 230.271 1.244 10 0 BDAERO CC(C)CC[NH+]1CC(Cn2cc(C=O)nn2)C1 ZINC000409425418 343819359 /nfs/dbraw/zinc/81/93/59/343819359.db2.gz LXRYLUZLWGIBOI-UHFFFAOYSA-N 1 0 236.319 1.069 10 0 BDAERO COc1ccc([C@@]2(C)C[C@]2(C[NH3+])CO)cc1 ZINC000070500913 187275171 /nfs/dbraw/zinc/27/51/71/187275171.db2.gz UQYWBAXDOVWLAT-OLZOCXBDSA-N 1 0 221.300 1.294 10 0 BDAERO O=C(C1C[NH2+]C1)N(C1CC1)C1CCSCC1 ZINC000409425598 343819891 /nfs/dbraw/zinc/81/98/91/343819891.db2.gz AWLFDUURSKFQOW-UHFFFAOYSA-N 1 0 240.372 1.092 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CC[C@H](C(F)F)C1 ZINC000409426395 343822384 /nfs/dbraw/zinc/82/23/84/343822384.db2.gz HYABIZFLWHGTCJ-IUCAKERBSA-N 1 0 232.274 1.100 10 0 BDAERO CCOC[C@@H]1C[N@H+](CCO)C[C@H]1C(F)(F)F ZINC000409431665 343824529 /nfs/dbraw/zinc/82/45/29/343824529.db2.gz JTFMSVJUIORSRI-DTWKUNHWSA-N 1 0 241.253 1.126 10 0 BDAERO CC(F)(F)C1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000409432164 343825709 /nfs/dbraw/zinc/82/57/09/343825709.db2.gz UPDDLCCGBAHODO-VIFPVBQESA-N 1 0 246.301 1.490 10 0 BDAERO [NH3+]CCN1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409429598 343806200 /nfs/dbraw/zinc/80/62/00/343806200.db2.gz OTQJLZQOJWJNRS-IUCAKERBSA-N 1 0 204.264 1.312 10 0 BDAERO c1ccc(C[N@@H+]2CCN[C@@]3(CCOC3)C2)cc1 ZINC000409430124 343807755 /nfs/dbraw/zinc/80/77/55/343807755.db2.gz FKKSNGWACOIXES-AWEZNQCLSA-N 1 0 232.327 1.251 10 0 BDAERO [NH2+]=C(NO)[C@H](c1ccncc1)N1CCCC1 ZINC000409440949 343854379 /nfs/dbraw/zinc/85/43/79/343854379.db2.gz NANJZFQKQGESKS-JTQLQIEISA-N 1 0 220.276 1.175 10 0 BDAERO [NH3+]Cc1c(-c2ccccn2)n[nH]c1C1CC1 ZINC000409441032 343855191 /nfs/dbraw/zinc/85/51/91/343855191.db2.gz PJEWXFWLIWKJLM-UHFFFAOYSA-N 1 0 214.272 1.808 10 0 BDAERO Cc1[nH]nc(C2CC2)c1CN1CC[NH2+]CC1 ZINC000409441298 343856163 /nfs/dbraw/zinc/85/61/63/343856163.db2.gz QSMCZDNYHIQRHT-UHFFFAOYSA-N 1 0 220.320 1.001 10 0 BDAERO CCc1cc2n(n1)CCN(C1CC[NH2+]CC1)C2 ZINC000409440792 343856173 /nfs/dbraw/zinc/85/61/73/343856173.db2.gz ZOJNELYZIQEYMO-UHFFFAOYSA-N 1 0 234.347 1.013 10 0 BDAERO COc1ccc(C[C@H]2C[NH2+]CC[C@H]2O)cc1F ZINC000071549302 187275955 /nfs/dbraw/zinc/27/59/55/187275955.db2.gz UQMPVYNHRSBLAQ-CMPLNLGQSA-N 1 0 239.290 1.347 10 0 BDAERO CC(C)(C)OC(=O)C1([NH3+])CC2(C1)CCOCC2 ZINC000409433273 343832033 /nfs/dbraw/zinc/83/20/33/343832033.db2.gz QYKVBFWXBJQGGE-UHFFFAOYSA-N 1 0 241.331 1.616 10 0 BDAERO COc1ccc(Cl)cc1NC[C@H](O)CC[NH3+] ZINC000071559482 187276103 /nfs/dbraw/zinc/27/61/03/187276103.db2.gz NOLMODIXZQUIQO-SECBINFHSA-N 1 0 244.722 1.470 10 0 BDAERO COCc1cccc2c1CCN2CC[NH3+] ZINC000409435517 343833638 /nfs/dbraw/zinc/83/36/38/343833638.db2.gz VFKCTCRVDKFDQT-UHFFFAOYSA-N 1 0 206.289 1.154 10 0 BDAERO Nc1cc(C(F)(F)F)nn1C[C@H]1CCC[NH2+]1 ZINC000409437062 343842229 /nfs/dbraw/zinc/84/22/29/343842229.db2.gz DDBDHLLDLXXOAV-ZCFIWIBFSA-N 1 0 234.225 1.236 10 0 BDAERO Cn1nc([C@H]2CCCC[NH2+]2)c2c1CCOC2 ZINC000409437515 343843826 /nfs/dbraw/zinc/84/38/26/343843826.db2.gz HKZQNVFLTWCUSI-SNVBAGLBSA-N 1 0 221.304 1.307 10 0 BDAERO NC(=[NH2+])Cn1ccn2nc(C(F)(F)F)cc12 ZINC000409439621 343847855 /nfs/dbraw/zinc/84/78/55/343847855.db2.gz SPZLTCKLENNUFL-UHFFFAOYSA-N 1 0 231.181 1.091 10 0 BDAERO CCn1nc([C@@H]2CCCC[NH2+]2)c2c1CCOC2 ZINC000409439676 343848073 /nfs/dbraw/zinc/84/80/73/343848073.db2.gz QDSXJCKCXKJFIF-NSHDSACASA-N 1 0 235.331 1.790 10 0 BDAERO [NH3+]CCc1nc([C@H](C2CC2)n2cccc2)no1 ZINC000409437922 343849436 /nfs/dbraw/zinc/84/94/36/343849436.db2.gz BIDFATBRZRSFKO-NSHDSACASA-N 1 0 232.287 1.372 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1c1noc(-c2ccco2)n1 ZINC000409440242 343851362 /nfs/dbraw/zinc/85/13/62/343851362.db2.gz KDEMVECFULJTCU-YUMQZZPRSA-N 1 0 219.244 1.924 10 0 BDAERO CCc1[nH]nc(C2CCOCC2)c1CC[NH3+] ZINC000409440309 343852031 /nfs/dbraw/zinc/85/20/31/343852031.db2.gz MGOHETIXUPDOTP-UHFFFAOYSA-N 1 0 223.320 1.367 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCOC1CCOCC1 ZINC000625482141 343881814 /nfs/dbraw/zinc/88/18/14/343881814.db2.gz NEBUDOIBGTYMLM-NWDGAFQWSA-N 1 0 243.347 1.027 10 0 BDAERO CC(=O)CCOCC[NH2+]Cc1ccccc1 ZINC000074525234 187277564 /nfs/dbraw/zinc/27/75/64/187277564.db2.gz IDJZMAPZHQQCMR-UHFFFAOYSA-N 1 0 221.300 1.772 10 0 BDAERO c1cn(C[C@@H]2CCC[NH2+]2)nc1-c1ccccn1 ZINC000409442416 343858570 /nfs/dbraw/zinc/85/85/70/343858570.db2.gz ZRUKOAMPIYNKMK-NSHDSACASA-N 1 0 228.299 1.697 10 0 BDAERO C[N@@H+]1C[C@H](CO)C[C@H]1c1cccc(F)c1 ZINC000409441610 343859938 /nfs/dbraw/zinc/85/99/38/343859938.db2.gz QAMGOMSTKASCEB-SKDRFNHKSA-N 1 0 209.264 1.811 10 0 BDAERO C[N@@H+]1C[C@@H](CO)C[C@@H]1c1cccc(F)c1 ZINC000409441608 343860157 /nfs/dbraw/zinc/86/01/57/343860157.db2.gz QAMGOMSTKASCEB-JOYOIKCWSA-N 1 0 209.264 1.811 10 0 BDAERO CN(C)c1ccc([C@H](C[NH3+])N2CCCC2)o1 ZINC000409441836 343861360 /nfs/dbraw/zinc/86/13/60/343861360.db2.gz RNXVPFAYCLDTGQ-JTQLQIEISA-N 1 0 223.320 1.441 10 0 BDAERO CN1C(=O)[C@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000409441875 343861941 /nfs/dbraw/zinc/86/19/41/343861941.db2.gz RYFGQDWZDSIGLR-NXEZZACHSA-N 1 0 208.236 1.056 10 0 BDAERO [NH3+]C1COc2cc3ccccc3cc2OC1 ZINC000409443584 343867591 /nfs/dbraw/zinc/86/75/91/343867591.db2.gz PWYBIVCJDFCULN-UHFFFAOYSA-N 1 0 215.252 1.938 10 0 BDAERO CC(C)n1nc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000409443528 343867694 /nfs/dbraw/zinc/86/76/94/343867694.db2.gz ORHZPBJOCAHXLV-UHFFFAOYSA-N 1 0 220.198 1.767 10 0 BDAERO CC(=O)Nc1ccc([C@H](O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000074367702 187277193 /nfs/dbraw/zinc/27/71/93/187277193.db2.gz SUYFPQQVCLQVES-KBPBESRZSA-N 1 0 248.326 1.821 10 0 BDAERO C[C@H](O)C[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000381976488 347003367 /nfs/dbraw/zinc/00/33/67/347003367.db2.gz DFEARARVJVWBDY-HTFCKZLJSA-N 1 0 227.348 1.549 10 0 BDAERO CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000082920823 133508299 /nfs/dbraw/zinc/50/82/99/133508299.db2.gz XMABZZLOPPHXSH-WOPDTQHZSA-N 1 0 224.348 1.762 10 0 BDAERO C[C@@H](c1ccc2c(c1)OCO2)N1CC[NH2+]CC1 ZINC000022123250 343906688 /nfs/dbraw/zinc/90/66/88/343906688.db2.gz AOFSDSMWZYOQAB-JTQLQIEISA-N 1 0 234.299 1.382 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@@H](O)c1ccsc1 ZINC000234325444 343940869 /nfs/dbraw/zinc/94/08/69/343940869.db2.gz IIRCEWPHVASTKQ-ZJUUUORDSA-N 1 0 229.370 1.829 10 0 BDAERO c1ccc2c(c1)CC[NH2+][C@@H]2c1cncnc1 ZINC000069758213 343942964 /nfs/dbraw/zinc/94/29/64/343942964.db2.gz SZVZSGJQCYTCPN-CYBMUJFWSA-N 1 0 211.268 1.712 10 0 BDAERO CN1CCSC[C@H]1[C@@H]([NH3+])C(C)(C)C ZINC000234349472 343943728 /nfs/dbraw/zinc/94/37/28/343943728.db2.gz LQQWGSUQSARKGW-DTWKUNHWSA-N 1 0 202.367 1.407 10 0 BDAERO CN1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000076643277 187279975 /nfs/dbraw/zinc/27/99/75/187279975.db2.gz SCMSGPDTKBXUJU-UHFFFAOYSA-N 1 0 210.708 1.744 10 0 BDAERO C[C@@H](C(N)=[NH2+])n1cc(C(F)(F)F)cn1 ZINC000070019075 343946675 /nfs/dbraw/zinc/94/66/75/343946675.db2.gz QWPNHKYADRLYPB-BYPYZUCNSA-N 1 0 206.171 1.399 10 0 BDAERO C[C@@H](C[N@@H+]1CCOC(C)(C)C1)C(N)=S ZINC000036232529 343973197 /nfs/dbraw/zinc/97/31/97/343973197.db2.gz GJUFMZKNJQAWAN-QMMMGPOBSA-N 1 0 216.350 1.019 10 0 BDAERO CC1(C)CO[C@@H](COCc2ccccc2)C[NH2+]1 ZINC000070380110 343951136 /nfs/dbraw/zinc/95/11/36/343951136.db2.gz LRYNOUSEMMUMHW-CYBMUJFWSA-N 1 0 235.327 1.970 10 0 BDAERO CN1CC[C@H]([NH2+]Cc2ccsc2)C1=O ZINC000070583421 343953028 /nfs/dbraw/zinc/95/30/28/343953028.db2.gz URNKFVFPCWMGGC-VIFPVBQESA-N 1 0 210.302 1.068 10 0 BDAERO COc1ccc(C[C@@H](C)[NH3+])c(OC)c1C ZINC000006069027 187281037 /nfs/dbraw/zinc/28/10/37/187281037.db2.gz XCEORCNVPWLEAY-MRVPVSSYSA-N 1 0 209.289 1.902 10 0 BDAERO CN1CC[C@H]([NH3+])[C@@H]1c1occc1Br ZINC000234388949 343960451 /nfs/dbraw/zinc/96/04/51/343960451.db2.gz ZIBCGXBRNOEQQO-JGVFFNPUSA-N 1 0 245.120 1.746 10 0 BDAERO FC(F)(F)c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000082933469 187283712 /nfs/dbraw/zinc/28/37/12/187283712.db2.gz KULVKVUOFQVCES-BYPYZUCNSA-N 1 0 207.155 1.513 10 0 BDAERO [NH3+][C@H]1CCN(C2CC2)[C@@H]1c1nccs1 ZINC000161714339 344094909 /nfs/dbraw/zinc/09/49/09/344094909.db2.gz YWWKWNWVSYOBHC-IUCAKERBSA-N 1 0 209.318 1.380 10 0 BDAERO CC[C@@H](C)[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634745501 344169183 /nfs/dbraw/zinc/16/91/83/344169183.db2.gz KBHQULNHWHVEOS-NMKXLXIOSA-N 1 0 238.375 1.927 10 0 BDAERO OC[C@]1(c2cccc(Cl)c2F)CC[NH2+]C1 ZINC000616570114 344172522 /nfs/dbraw/zinc/17/25/22/344172522.db2.gz CCROCHQXGZZKMR-NSHDSACASA-N 1 0 229.682 1.703 10 0 BDAERO [NH3+]C1CC(Nc2cc(Cl)nnc2Cl)C1 ZINC000127294097 344124687 /nfs/dbraw/zinc/12/46/87/344124687.db2.gz HZNZHVWTYWTKMN-UHFFFAOYSA-N 1 0 233.102 1.685 10 0 BDAERO Clc1cc(N[C@H]2CC[NH2+]C2)c(Cl)nn1 ZINC000127299906 344124696 /nfs/dbraw/zinc/12/46/96/344124696.db2.gz ARTWZBMYTJPAGV-YFKPBYRVSA-N 1 0 233.102 1.557 10 0 BDAERO CC(C)[C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000081060795 344137199 /nfs/dbraw/zinc/13/71/99/344137199.db2.gz CGRWROGBKIUECB-RYUDHWBXSA-N 1 0 226.364 1.784 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634746388 344176846 /nfs/dbraw/zinc/17/68/46/344176846.db2.gz STNZXODQIGRMGM-MDZLAQPJSA-N 1 0 222.332 1.245 10 0 BDAERO c1cc2c(c3c1=NCS3)C=CN=CC=2 ZINC000095931754 187288864 /nfs/dbraw/zinc/28/88/64/187288864.db2.gz URXQHXHRFDFGQJ-UHFFFAOYSA-N 1 0 200.266 1.205 10 0 BDAERO C[C@H](O)[C@H]1CC[N@@H+]([C@@H]2CCCC(=O)C2)C1 ZINC000165927962 344233573 /nfs/dbraw/zinc/23/35/73/344233573.db2.gz VOZHDLNMGFKKGS-GARJFASQSA-N 1 0 211.305 1.201 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384860596 344192414 /nfs/dbraw/zinc/19/24/14/344192414.db2.gz DHDSFUMLJBBKPS-YVECIDJPSA-N 1 0 245.363 1.320 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000236732680 187289639 /nfs/dbraw/zinc/28/96/39/187289639.db2.gz LNNJUCDDCLBQTH-SRVKXCTJSA-N 1 0 224.348 1.618 10 0 BDAERO C[C@@H]1CCC[C@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634749747 344192912 /nfs/dbraw/zinc/19/29/12/344192912.db2.gz DQQRAHWRDHUJPX-CZXHOFHRSA-N 1 0 236.359 1.681 10 0 BDAERO Cn1nnc(Br)c1[C@@H]([NH3+])C1(C)CC1 ZINC000236106936 344297132 /nfs/dbraw/zinc/29/71/32/344297132.db2.gz IMPRFTYDDQCKQV-ZCFIWIBFSA-N 1 0 245.124 1.378 10 0 BDAERO Cc1ccc(Cc2nccc(CC[NH3+])n2)cc1 ZINC000054833494 178654145 /nfs/dbraw/zinc/65/41/45/178654145.db2.gz JNAUKRSFLUIYIP-UHFFFAOYSA-N 1 0 227.311 1.877 10 0 BDAERO COCc1nc2c(s1)CCC[C@@H]2C[NH3+] ZINC000234743824 344241119 /nfs/dbraw/zinc/24/11/19/344241119.db2.gz XDRVZBJONFDHQN-SSDOTTSWSA-N 1 0 212.318 1.668 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1nccc2occc21 ZINC000385090551 344323404 /nfs/dbraw/zinc/32/34/04/344323404.db2.gz LVMNVNUUYINQEG-DTWKUNHWSA-N 1 0 217.272 1.754 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncnc2sccc21 ZINC000385182541 344365770 /nfs/dbraw/zinc/36/57/70/344365770.db2.gz JIGNJZIPFJBUGA-SFYZADRCSA-N 1 0 234.328 1.617 10 0 BDAERO NNc1[nH+]cnc(NC2CC2)c1Br ZINC000236293910 344342084 /nfs/dbraw/zinc/34/20/84/344342084.db2.gz VSFDNYXMHOPDQG-UHFFFAOYSA-N 1 0 244.096 1.099 10 0 BDAERO CCOc1cc(N2C[C@H]([NH3+])C[C@H]2C)nc(C)n1 ZINC000385158242 344355780 /nfs/dbraw/zinc/35/57/80/344355780.db2.gz ANPARSVENJIRMQ-PSASIEDQSA-N 1 0 236.319 1.110 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1ncnc2c1CCCC2 ZINC000385162501 344356611 /nfs/dbraw/zinc/35/66/11/344356611.db2.gz SGJQRDZOYWMWKG-UWVGGRQHSA-N 1 0 232.331 1.281 10 0 BDAERO CCc1nc(Cl)c2c(n1)CC[NH2+]CC2 ZINC000095943625 344358521 /nfs/dbraw/zinc/35/85/21/344358521.db2.gz VTXJFGCYQSGOFD-UHFFFAOYSA-N 1 0 211.696 1.381 10 0 BDAERO COc1cc(C)c(OC)c2c1C[C@H]([NH3+])CC2 ZINC000027764134 344303494 /nfs/dbraw/zinc/30/34/94/344303494.db2.gz CEHNNXHZTWZRJP-SECBINFHSA-N 1 0 221.300 1.828 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1nc2ccccc2o1 ZINC000385198664 344371585 /nfs/dbraw/zinc/37/15/85/344371585.db2.gz PXPZMLKYHWCCAO-DTWKUNHWSA-N 1 0 217.272 1.754 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1nccc(C(F)(F)F)n1 ZINC000385223334 344378276 /nfs/dbraw/zinc/37/82/76/344378276.db2.gz HGRNYBCHWUZGRR-RQJHMYQMSA-N 1 0 246.236 1.421 10 0 BDAERO CC[N@H+](C(C)C)[C@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044128380 344398046 /nfs/dbraw/zinc/39/80/46/344398046.db2.gz OJCPFZWEKZLKOG-RYUDHWBXSA-N 1 0 243.347 1.373 10 0 BDAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000309760736 344454032 /nfs/dbraw/zinc/45/40/32/344454032.db2.gz IQYYVKFFMGPGJQ-ZJUUUORDSA-N 1 0 220.320 1.371 10 0 BDAERO C[NH2+][C@@H]1CN(Cc2ccccc2)CCO1 ZINC000143559135 344477620 /nfs/dbraw/zinc/47/76/20/344477620.db2.gz NPKVDYWUIWEXHR-LBPRGKRZSA-N 1 0 206.289 1.064 10 0 BDAERO C[C@H]([NH3+])[C@]1(CCO)CCCS[C@@H]1C ZINC000227536538 344484676 /nfs/dbraw/zinc/48/46/76/344484676.db2.gz ZDDSJTKOGRPALS-IVZWLZJFSA-N 1 0 203.351 1.618 10 0 BDAERO CSCCC[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000381404451 344501797 /nfs/dbraw/zinc/50/17/97/344501797.db2.gz SBCAVYVLGJGMPJ-CMPLNLGQSA-N 1 0 244.404 1.586 10 0 BDAERO Cn1c2c(nc1C(F)F)C[C@H]([NH3+])CC2 ZINC000127604894 344573171 /nfs/dbraw/zinc/57/31/71/344573171.db2.gz STDPWCMDLGOKGM-RXMQYKEDSA-N 1 0 201.220 1.174 10 0 BDAERO COc1cc(OC)cc([C@@H]([NH3+])CCO)c1 ZINC000044232266 344536394 /nfs/dbraw/zinc/53/63/94/344536394.db2.gz AWHHTZFXVFIWOL-NSHDSACASA-N 1 0 211.261 1.086 10 0 BDAERO CC[C@@H](O)[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000044159913 344544024 /nfs/dbraw/zinc/54/40/24/344544024.db2.gz XSLXBDSGVFMBMS-NXEZZACHSA-N 1 0 201.310 1.257 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CCOC)C1 ZINC000045037655 344554531 /nfs/dbraw/zinc/55/45/31/344554531.db2.gz NAWOLJLYZKUKOG-NWDGAFQWSA-N 1 0 214.353 1.485 10 0 BDAERO Cc1csc(C[C@]2(F)CC[NH2+]C2)n1 ZINC000158174423 344559213 /nfs/dbraw/zinc/55/92/13/344559213.db2.gz ZNXUHBQGQLFSFR-SECBINFHSA-N 1 0 200.282 1.696 10 0 BDAERO C[C@@H]1C[C@](O)(Cc2ccsc2)C[N@@H+]1C ZINC000127567389 344564519 /nfs/dbraw/zinc/56/45/19/344564519.db2.gz FZYZWJUQADLTGR-KOLCDFICSA-N 1 0 211.330 1.746 10 0 BDAERO C[C@H]1C[C@@](O)(Cc2ccsc2)C[N@@H+]1C ZINC000127568086 344564618 /nfs/dbraw/zinc/56/46/18/344564618.db2.gz FZYZWJUQADLTGR-GXSJLCMTSA-N 1 0 211.330 1.746 10 0 BDAERO [NH3+][C@H]1CC[C@](F)(Cc2nccs2)C1 ZINC000158287248 344580889 /nfs/dbraw/zinc/58/08/89/344580889.db2.gz DUMPOESVWFCKNI-IONNQARKSA-N 1 0 200.282 1.905 10 0 BDAERO Cc1oncc1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000104125253 187291712 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239.315 1.732 10 0 BDAERO COc1ccc([C@H](O)[C@H](C)[NH3+])c(OC)c1 ZINC000001998692 187301715 /nfs/dbraw/zinc/30/17/15/187301715.db2.gz ZWYOPUOIHUHDFO-WRWORJQWSA-N 1 0 211.261 1.084 10 0 BDAERO C[C@H]1CN(C(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000635526138 345421711 /nfs/dbraw/zinc/42/17/11/345421711.db2.gz NMQICQAPJKPOKI-UWVGGRQHSA-N 1 0 225.336 1.165 10 0 BDAERO Cc1ccc([C@@H]([NH2+]C(C)C)C(N)=O)s1 ZINC000041675449 178863030 /nfs/dbraw/zinc/86/30/30/178863030.db2.gz LIXJHCCVLQWEJC-SECBINFHSA-N 1 0 212.318 1.581 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccsc1Cl ZINC000378672606 345451829 /nfs/dbraw/zinc/45/18/29/345451829.db2.gz LLBRDLQMBONNJY-JGVFFNPUSA-N 1 0 217.721 1.872 10 0 BDAERO CC(=O)CC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173312710 187305252 /nfs/dbraw/zinc/30/52/52/187305252.db2.gz GSNPOIDPMAFGEH-GFCCVEGCSA-N 1 0 221.304 1.536 10 0 BDAERO CC[C@@H]1CC[C@@H](C)[N@@H+]1[C@@H](C)C(N)=S ZINC000136179234 345485060 /nfs/dbraw/zinc/48/50/60/345485060.db2.gz AUJZYEXFDXTBJO-HRDYMLBCSA-N 1 0 200.351 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C[C@@H]1CC[NH2+][C@@H](CC(=O)[C@@H]2CCCO2)C1 ZINC000306723918 537917108 /nfs/dbraw/zinc/91/71/08/537917108.db2.gz HVKJEXCZZUHQIZ-FOGDFJRCSA-N 1 0 211.305 1.513 10 0 BDAERO Cc1nc(C)c(C[NH2+]C[C@@H]2CCC[C@@H]2O)o1 ZINC000628223482 345964167 /nfs/dbraw/zinc/96/41/67/345964167.db2.gz GEZFHPJUOUMTCS-QWRGUYRKSA-N 1 0 224.304 1.542 10 0 BDAERO C[C@@H]1CC[NH2+][C@H]([C@@H]2COC(C)(C)C2=O)C1 ZINC000307550338 537923902 /nfs/dbraw/zinc/92/39/02/537923902.db2.gz QYROAZKVYQGLDJ-UTLUCORTSA-N 1 0 211.305 1.369 10 0 BDAERO C[C@@H]1CC=C(CCC[NH3+])C2(C1)OCCO2 ZINC000096675287 187362019 /nfs/dbraw/zinc/36/20/19/187362019.db2.gz GVDVZTIRHKPNJG-SNVBAGLBSA-N 1 0 211.305 1.825 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2O)C1 ZINC000250454427 537936152 /nfs/dbraw/zinc/93/61/52/537936152.db2.gz HPLMFJVMUQZVKX-QNWHQSFQSA-N 1 0 227.348 1.837 10 0 BDAERO CC[C@H]1CSC(NN2CCCCC2)=[NH+]1 ZINC000148814785 346055100 /nfs/dbraw/zinc/05/51/00/346055100.db2.gz MRJAJCKAXVESFT-VIFPVBQESA-N 1 0 213.350 1.858 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)CN(CC(F)F)C1 ZINC000148039684 346032216 /nfs/dbraw/zinc/03/22/16/346032216.db2.gz MLCJZWDUMPWVLO-RKDXNWHRSA-N 1 0 206.280 1.429 10 0 BDAERO CC(C)=CC[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000192311473 187314179 /nfs/dbraw/zinc/31/41/79/187314179.db2.gz AUHBSAMFNIOLCN-NSHDSACASA-N 1 0 236.315 1.840 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC2(C1)CC[NH2+]C2 ZINC000675054588 537947426 /nfs/dbraw/zinc/94/74/26/537947426.db2.gz XNBSYEFKPVOHBQ-JTQLQIEISA-N 1 0 210.321 1.100 10 0 BDAERO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[NH2+]C2)O1 ZINC000669371690 537948316 /nfs/dbraw/zinc/94/83/16/537948316.db2.gz QEFGLKSVHNKOKI-DZGCQCFKSA-N 1 0 246.354 1.639 10 0 BDAERO C[C@H]1OCC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000148438293 346124011 /nfs/dbraw/zinc/12/40/11/346124011.db2.gz YQEIUSSVCWDZPK-RISCZKNCSA-N 1 0 245.326 1.365 10 0 BDAERO CC(C)[NH+]1CCC(CO)(C[C@@H]2CO2)CC1 ZINC000669372054 537948571 /nfs/dbraw/zinc/94/85/71/537948571.db2.gz HLPVPLVJZJGIQP-LLVKDONJSA-N 1 0 213.321 1.258 10 0 BDAERO CC(C)Cc1cnc(CN2CC[NH2+]CC2)o1 ZINC000669372261 537949662 /nfs/dbraw/zinc/94/96/62/537949662.db2.gz LLEIYTMXBFWAOZ-UHFFFAOYSA-N 1 0 223.320 1.278 10 0 BDAERO CN1CCN(Nc2ccc(Cl)c[nH+]2)CC1 ZINC000148455474 346147159 /nfs/dbraw/zinc/14/71/59/346147159.db2.gz VNZJSOKMEGQSMW-UHFFFAOYSA-N 1 0 226.711 1.309 10 0 BDAERO C[C@H]1C[N@H+](CC(=O)C(C)(C)C)CCCO1 ZINC000061919757 346180159 /nfs/dbraw/zinc/18/01/59/346180159.db2.gz WPNRLZJTMYAHMN-JTQLQIEISA-N 1 0 213.321 1.712 10 0 BDAERO C[NH2+][C@H](C)[C@H](C)N1CCCO[C@@H](C)C1 ZINC000061917326 346180269 /nfs/dbraw/zinc/18/02/69/346180269.db2.gz XYTDBFGQTNJVBH-AXFHLTTASA-N 1 0 200.326 1.094 10 0 BDAERO Cc1cccc(-c2nc([C@@H](C)C[NH3+])no2)n1 ZINC000054158797 178997163 /nfs/dbraw/zinc/99/71/63/178997163.db2.gz IKYUJRKMZCFYBX-ZETCQYMHSA-N 1 0 218.260 1.502 10 0 BDAERO CN(Cc1nccn1C)c1nsnc1Cl ZINC000062328997 346239962 /nfs/dbraw/zinc/23/99/62/346239962.db2.gz DYPJSVRPXHLOCN-UHFFFAOYSA-N 1 0 243.723 1.561 10 0 BDAERO Cc1cccc(C(=O)NC2CC[NH+](C)CC2)c1N ZINC000037249155 179014821 /nfs/dbraw/zinc/01/48/21/179014821.db2.gz GQFAMYKPGFDOBV-UHFFFAOYSA-N 1 0 247.342 1.401 10 0 BDAERO CC(C)N(C)C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055145624 187317989 /nfs/dbraw/zinc/31/79/89/187317989.db2.gz HNRMWOWOIISDRP-QWRGUYRKSA-N 1 0 212.337 1.618 10 0 BDAERO Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c1O ZINC000038049203 179024118 /nfs/dbraw/zinc/02/41/18/179024118.db2.gz PJLVURBICVUVEX-NEPJUHHUSA-N 1 0 248.326 1.700 10 0 BDAERO [NH3+]CC1(C2(O)CC(OCc3ccccc3)C2)CC1 ZINC000669377367 537964135 /nfs/dbraw/zinc/96/41/35/537964135.db2.gz NYQROOCWNGIBDQ-UHFFFAOYSA-N 1 0 247.338 1.836 10 0 BDAERO CC(C)(C[NH3+])[C@@](C)(O)COCc1ccccc1 ZINC000669377494 537964663 /nfs/dbraw/zinc/96/46/63/537964663.db2.gz RMKYELLPVLZXMV-AWEZNQCLSA-N 1 0 237.343 1.939 10 0 BDAERO [NH3+]CC[C@@H](O)c1ncc(Br)s1 ZINC000669376898 537962227 /nfs/dbraw/zinc/96/22/27/537962227.db2.gz ASFJZXBDILOTPN-SCSAIBSYSA-N 1 0 237.122 1.288 10 0 BDAERO Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038048936 179020977 /nfs/dbraw/zinc/02/09/77/179020977.db2.gz CQWLXNZRHAXDKH-QWHCGFSZSA-N 1 0 232.327 1.995 10 0 BDAERO O=C(c1occc1Br)[C@@H]1CCC[NH2+]1 ZINC000167645794 346296119 /nfs/dbraw/zinc/29/61/19/346296119.db2.gz MLJKCPHVDTTZFU-ZETCQYMHSA-N 1 0 244.088 1.977 10 0 BDAERO COC(=O)c1occc1C[NH2+][C@@H]1C[C@H]1C ZINC000052274553 346304527 /nfs/dbraw/zinc/30/45/27/346304527.db2.gz QWWQREQYWUSZAN-VXNVDRBHSA-N 1 0 209.245 1.564 10 0 BDAERO CC[C@H](C[NH3+])[C@@]1(O)CCCC2(C1)OCCO2 ZINC000669377882 537965851 /nfs/dbraw/zinc/96/58/51/537965851.db2.gz IRYITQFRIBVERP-GHMZBOCLSA-N 1 0 229.320 1.020 10 0 BDAERO CC[C@](C)(C[NH3+])C1(O)CC(SC)C1 ZINC000669378047 537965925 /nfs/dbraw/zinc/96/59/25/537965925.db2.gz RYONEQKVGKZHAU-HWOCKDDLSA-N 1 0 203.351 1.618 10 0 BDAERO C[C@@H](C[NH3+])[C@@H](O)c1ccncc1Br ZINC000669377697 537966281 /nfs/dbraw/zinc/96/62/81/537966281.db2.gz BQZWZOXYEDTNPC-IMTBSYHQSA-N 1 0 245.120 1.472 10 0 BDAERO Cc1cccc(C)c1OCC[C@H](O)C[NH3+] ZINC000019668538 179046968 /nfs/dbraw/zinc/04/69/68/179046968.db2.gz WIDNFYORKXCELL-NSHDSACASA-N 1 0 209.289 1.392 10 0 BDAERO CC[N@@H+]1CC[C@@H](NCc2cc(COC)on2)C1 ZINC000641762043 362686423 /nfs/dbraw/zinc/68/64/23/362686423.db2.gz BXJFUGOUDXAGGA-SNVBAGLBSA-N 1 0 239.319 1.005 10 0 BDAERO Cc1cccc(CC(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000052136853 179052121 /nfs/dbraw/zinc/05/21/21/179052121.db2.gz WBBKYNDOEHAJPT-KBPBESRZSA-N 1 0 246.354 1.924 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000161583219 346338274 /nfs/dbraw/zinc/33/82/74/346338274.db2.gz SHOAAAVTMFPLGV-LLVKDONJSA-N 1 0 206.289 1.286 10 0 BDAERO CC(C)[NH2+]CCN(C)S(=O)(=O)C1CCCC1 ZINC000669378931 537972492 /nfs/dbraw/zinc/97/24/92/537972492.db2.gz OUZYFWKOPIOWON-UHFFFAOYSA-N 1 0 248.392 1.189 10 0 BDAERO CC1CC(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000381594248 346398650 /nfs/dbraw/zinc/39/86/50/346398650.db2.gz KWNYBODHZPYSEY-VGRIYTJTSA-N 1 0 210.321 1.147 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000641782130 362721130 /nfs/dbraw/zinc/72/11/30/362721130.db2.gz ITVJZJWFURKPMD-VOAKCMCISA-N 1 0 227.348 1.695 10 0 BDAERO C[C@H]1CSCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000069762027 349957801 /nfs/dbraw/zinc/95/78/01/349957801.db2.gz BSZQGKNKWNWAEM-QWRGUYRKSA-N 1 0 242.388 1.340 10 0 BDAERO Cc1cccc(CN2C[C@@H](C[NH3+])CC2=O)c1 ZINC000019669306 179081208 /nfs/dbraw/zinc/08/12/08/179081208.db2.gz FTMUQDNPSGBWAY-GFCCVEGCSA-N 1 0 218.300 1.302 10 0 BDAERO COCCCN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159575529 346425356 /nfs/dbraw/zinc/42/53/56/346425356.db2.gz WZUYETPVQAWAKW-GFCCVEGCSA-N 1 0 228.336 1.014 10 0 BDAERO CC[C@H](C)[NH2+]Cc1nc(CO)cs1 ZINC000669379421 537979422 /nfs/dbraw/zinc/97/94/22/537979422.db2.gz AOEKNKXOHPGPNI-ZETCQYMHSA-N 1 0 200.307 1.524 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@H](C)Oc1ccccc1 ZINC000563413738 323124828 /nfs/dbraw/zinc/12/48/28/323124828.db2.gz GAPUEZUVPURXDH-WDEREUQCSA-N 1 0 236.315 1.178 10 0 BDAERO Cc1cccc(CNC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000048266310 179088191 /nfs/dbraw/zinc/08/81/91/179088191.db2.gz XZHNDJWXZFZZHO-OCCSQVGLSA-N 1 0 246.354 1.999 10 0 BDAERO C[C@@H]1CCS[C@]2(CC[NH2+]C[C@@H]2C)N1 ZINC000229565585 346437804 /nfs/dbraw/zinc/43/78/04/346437804.db2.gz RQEGCTUXWWQDLD-AEJSXWLSSA-N 1 0 200.351 1.427 10 0 BDAERO C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000563434074 323125282 /nfs/dbraw/zinc/12/52/82/323125282.db2.gz UZNIWKDFHOQWIM-AAVRWANBSA-N 1 0 240.391 1.752 10 0 BDAERO CC[N@@H+]1CCC[C@@H](C2=NO[C@@H]3NCCCC=C23)C1 ZINC000215987909 349965433 /nfs/dbraw/zinc/96/54/33/349965433.db2.gz FBJLHTILZIGRLY-RISCZKNCSA-N 1 0 249.358 1.740 10 0 BDAERO Cc1occc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170859479 346462583 /nfs/dbraw/zinc/46/25/83/346462583.db2.gz RVPXELDDWWEKSH-JTQLQIEISA-N 1 0 222.288 1.364 10 0 BDAERO Cc1cccc(CC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170868322 346466995 /nfs/dbraw/zinc/46/69/95/346466995.db2.gz QZQSZHDFDRWWGI-AWEZNQCLSA-N 1 0 246.354 1.700 10 0 BDAERO FC(F)O[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000229922458 346480347 /nfs/dbraw/zinc/48/03/47/346480347.db2.gz OJQDJMCCVDKWRT-SSDOTTSWSA-N 1 0 207.220 1.137 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2CCCNC2=O)c1F ZINC000335626652 179097326 /nfs/dbraw/zinc/09/73/26/179097326.db2.gz VXACBICUIJYVFQ-LLVKDONJSA-N 1 0 236.290 1.502 10 0 BDAERO C[C@@H]1CN(Cc2ccnc(F)c2)CC[NH2+]1 ZINC000725241971 537981915 /nfs/dbraw/zinc/98/19/15/537981915.db2.gz YDZFDLGNDNAOQB-SECBINFHSA-N 1 0 209.268 1.014 10 0 BDAERO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2O)n1 ZINC000051576292 179101030 /nfs/dbraw/zinc/10/10/30/179101030.db2.gz FHKJYJIRJQOWMS-NWDGAFQWSA-N 1 0 206.289 1.393 10 0 BDAERO CCC(C)(C)NC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241842 537982353 /nfs/dbraw/zinc/98/23/53/537982353.db2.gz RYULOTNRXPUCSG-UHFFFAOYSA-N 1 0 239.363 1.713 10 0 BDAERO C[C@@H]1CC[C@]([NH3+])(C(N)=O)c2ccccc21 ZINC000163869318 346580358 /nfs/dbraw/zinc/58/03/58/346580358.db2.gz VOOZSOLMXHIVOI-PRHODGIISA-N 1 0 204.273 1.223 10 0 BDAERO Cc1cccc(N2CC[C@H]([NH3+])C2=O)c1C ZINC000049647811 179123672 /nfs/dbraw/zinc/12/36/72/179123672.db2.gz SWNFPPDHFNFQBC-JTQLQIEISA-N 1 0 204.273 1.367 10 0 BDAERO Cc1cccc(N2CNC(=O)C23CC[NH2+]CC3)c1 ZINC000084074216 179123915 /nfs/dbraw/zinc/12/39/15/179123915.db2.gz SHYLIVWKUOZMJM-UHFFFAOYSA-N 1 0 245.326 1.011 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N1CCCO1 ZINC000164160758 346593332 /nfs/dbraw/zinc/59/33/32/346593332.db2.gz VYOCASNNPMXWJP-PSASIEDQSA-N 1 0 212.318 1.774 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1cccs1)N1CCCO1 ZINC000164183029 346594796 /nfs/dbraw/zinc/59/47/96/346594796.db2.gz HZCWFPUOGGSMGN-PSASIEDQSA-N 1 0 212.318 1.774 10 0 BDAERO NC(=[NH2+])c1cc(N)ccc1C(F)(F)F ZINC000164303871 346599863 /nfs/dbraw/zinc/59/98/63/346599863.db2.gz OSWHIHOPBRCRHU-UHFFFAOYSA-N 1 0 203.167 1.572 10 0 BDAERO COC1CCC2(CC1)[NH2+][C@@H](C)CS2 ZINC000164327003 346600461 /nfs/dbraw/zinc/60/04/61/346600461.db2.gz JNKQZCZZNQIKDF-IDKOKCKLSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@](O)(C[NH3+])c1cc(F)ccc1Cl ZINC000164372903 346602068 /nfs/dbraw/zinc/60/20/68/346602068.db2.gz CHAUZWOVVJMWOU-SECBINFHSA-N 1 0 203.644 1.645 10 0 BDAERO CO[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1(C)C ZINC000300393990 346612871 /nfs/dbraw/zinc/61/28/71/346612871.db2.gz XIYLIFITMBCEJZ-WYUUTHIRSA-N 1 0 227.348 1.693 10 0 BDAERO CN1CCC[N@H+](C)C[C@H]1c1nccs1 ZINC000164698495 346618062 /nfs/dbraw/zinc/61/80/62/346618062.db2.gz ZLKGIGZHGACEOP-VIFPVBQESA-N 1 0 211.334 1.452 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC(OC(C)C)CC1 ZINC000580191173 346645568 /nfs/dbraw/zinc/64/55/68/346645568.db2.gz OOMLNIAPJCESGY-LBPRGKRZSA-N 1 0 242.363 1.530 10 0 BDAERO [NH3+]Cc1c[nH]c2cc(Br)ncc12 ZINC000585672708 346652525 /nfs/dbraw/zinc/65/25/25/346652525.db2.gz RPKDAIUNDOXUQK-UHFFFAOYSA-N 1 0 226.077 1.784 10 0 BDAERO C[C@@]1(C(=O)NCc2ccccc2)CCC[C@@H]1[NH3+] ZINC000165713716 346657274 /nfs/dbraw/zinc/65/72/74/346657274.db2.gz VFWPTBWHYDAKIL-GXTWGEPZSA-N 1 0 232.327 1.820 10 0 BDAERO CCC[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000601207927 346674405 /nfs/dbraw/zinc/67/44/05/346674405.db2.gz TVTOXIZZBHPYMK-NWDGAFQWSA-N 1 0 239.363 1.665 10 0 BDAERO Cc1cccc(NC(=O)COC[C@@H]2CC[NH2+]C2)c1 ZINC000051888340 179129169 /nfs/dbraw/zinc/12/91/69/179129169.db2.gz BCRYTUZXQMMXII-GFCCVEGCSA-N 1 0 248.326 1.560 10 0 BDAERO CC(C)[C@@H](C[NH3+])Nc1ncc(Cl)cn1 ZINC000168065091 346725216 /nfs/dbraw/zinc/72/52/16/346725216.db2.gz ONJMQHVYCWJBFR-MRVPVSSYSA-N 1 0 214.700 1.525 10 0 BDAERO Cc1cccc(N[C@@]2(CO)CC[N@@H+](C)C2)c1 ZINC000061992123 179156295 /nfs/dbraw/zinc/15/62/95/179156295.db2.gz OBSKNHNXGZKCRO-ZDUSSCGKSA-N 1 0 220.316 1.474 10 0 BDAERO CCC[C@H](C)[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000590000255 346761332 /nfs/dbraw/zinc/76/13/32/346761332.db2.gz CEVXLXWGGYPBNS-RYUDHWBXSA-N 1 0 214.353 1.437 10 0 BDAERO c1csc(C[NH2+][C@H]2CCc3nccn3C2)n1 ZINC000309624198 347123199 /nfs/dbraw/zinc/12/31/99/347123199.db2.gz PURYPGOSKPJCDL-VIFPVBQESA-N 1 0 234.328 1.444 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@H](O)C(F)(F)F ZINC000582063334 347157205 /nfs/dbraw/zinc/15/72/05/347157205.db2.gz XOFDEEDDRZRFRA-JGVFFNPUSA-N 1 0 243.269 1.296 10 0 BDAERO C[C@H]1CCCN(c2ncccc2F)[C@H]1C[NH3+] ZINC000252173123 133648926 /nfs/dbraw/zinc/64/89/26/133648926.db2.gz OJXSNURLUMKCIQ-ONGXEEELSA-N 1 0 223.295 1.784 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N2CCO[C@H](C)C2)c1 ZINC000036879540 179184238 /nfs/dbraw/zinc/18/42/38/179184238.db2.gz CWHGUGCTQAPMPL-TZMCWYRMSA-N 1 0 234.343 1.716 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N(CCO)C2CC2)c1 ZINC000042967505 179184333 /nfs/dbraw/zinc/18/43/33/179184333.db2.gz ZWVNYFBKUHYLDB-CQSZACIVSA-N 1 0 234.343 1.452 10 0 BDAERO O=C(c1ccco1)N1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000038918491 347170366 /nfs/dbraw/zinc/17/03/66/347170366.db2.gz VLBIPEYDZHRWFR-MNOVXSKESA-N 1 0 234.299 1.636 10 0 BDAERO Cc1ccc([C@@H](C(CO)CO)[NH+](C)C)cc1 ZINC000039215584 347185927 /nfs/dbraw/zinc/18/59/27/347185927.db2.gz OUDWUAOQGYWXOH-ZDUSSCGKSA-N 1 0 223.316 1.199 10 0 BDAERO Cc1ccc(C(=O)N[n+]2ccccc2)cc1 ZINC000039234901 347187747 /nfs/dbraw/zinc/18/77/47/347187747.db2.gz PMMUGODUDWWSOY-UHFFFAOYSA-O 1 0 213.260 1.666 10 0 BDAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCC(O)CC2)c1 ZINC000042965533 179188831 /nfs/dbraw/zinc/18/88/31/179188831.db2.gz ULPGOYGYUWCLID-IUODEOHRSA-N 1 0 248.370 1.840 10 0 BDAERO CC[S@](=O)[C@H]1CCCC(C)(C)[C@H]1[NH3+] ZINC000250236819 362797073 /nfs/dbraw/zinc/79/70/73/362797073.db2.gz IONNOYZXILPWFN-RVBZMBCESA-N 1 0 203.351 1.661 10 0 BDAERO c1cc2c(o1)[C@@]1(C[C@@H]3COC[C@@H]31)[NH2+]CC2 ZINC000725242912 537988567 /nfs/dbraw/zinc/98/85/67/537988567.db2.gz WVRSOCCSOGJEDQ-SCVCMEIPSA-N 1 0 205.257 1.287 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N2CCOC[C@@H]2C)c1 ZINC000035774629 179198468 /nfs/dbraw/zinc/19/84/68/179198468.db2.gz ICPIOIAYFBYOFZ-JSGCOSHPSA-N 1 0 234.343 1.716 10 0 BDAERO CO[C@@H]([C@@H](C)[NH2+]Cc1cnn(C)c1C)C1CC1 ZINC000388269323 347280363 /nfs/dbraw/zinc/28/03/63/347280363.db2.gz FBSZMLJSSNIZRW-RNCFNFMXSA-N 1 0 237.347 1.632 10 0 BDAERO CN(c1nccs1)[C@H]1CCC[C@H]1C[NH3+] ZINC000250662166 362815746 /nfs/dbraw/zinc/81/57/46/362815746.db2.gz YYMNZJALQSPBSA-IUCAKERBSA-N 1 0 211.334 1.707 10 0 BDAERO CO[C@@H]([C@H](C)[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000388322547 347318367 /nfs/dbraw/zinc/31/83/67/347318367.db2.gz XXYZGZNENQULBX-SQNXGDPESA-N 1 0 227.348 1.693 10 0 BDAERO Cc1cccc2c1O[C@H](C[NH+](C)C)CC2=O ZINC000039109902 179222534 /nfs/dbraw/zinc/22/25/34/179222534.db2.gz HSRJQMDNMWIMCU-JTQLQIEISA-N 1 0 219.284 1.890 10 0 BDAERO Cc1nc(C[NH3+])sc1-c1nc(C)cc(C)n1 ZINC000669380421 537989725 /nfs/dbraw/zinc/98/97/25/537989725.db2.gz MJFJGGFYCJJDIG-UHFFFAOYSA-N 1 0 234.328 1.984 10 0 BDAERO Cc1cccc2c1O[C@@H](C1=[NH+]CCN1)C2 ZINC000027648207 179223062 /nfs/dbraw/zinc/22/30/62/179223062.db2.gz SPEJPGYEEBLAIZ-SNVBAGLBSA-N 1 0 202.257 1.300 10 0 BDAERO [NH3+]C[C@@H](NC(=O)C1CC1)C(F)(F)C(F)(F)F ZINC000669380475 537989754 /nfs/dbraw/zinc/98/97/54/537989754.db2.gz OBLNPVHAYPTDLU-RXMQYKEDSA-N 1 0 246.179 1.038 10 0 BDAERO COC1(C[NH2+][C@H]2CCCN[C@H]2C)CCCC1 ZINC000396634481 362826265 /nfs/dbraw/zinc/82/62/65/362826265.db2.gz ZAZKAIDGFQMLIV-RYUDHWBXSA-N 1 0 226.364 1.676 10 0 BDAERO c1cc2c(s1)[C@]1(C[C@@H]3COC[C@@H]31)[NH2+]CC2 ZINC000725242883 537989477 /nfs/dbraw/zinc/98/94/77/537989477.db2.gz NNYUKOBJOHQGKH-JFGNBEQYSA-N 1 0 221.325 1.755 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@H](CC)C1 ZINC000193247260 347394252 /nfs/dbraw/zinc/39/42/52/347394252.db2.gz ZKLNAVMCXRHBEE-QWHCGFSZSA-N 1 0 245.363 1.275 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000382851244 347452617 /nfs/dbraw/zinc/45/26/17/347452617.db2.gz JOKYEDLYPUCPCK-VXGBXAGGSA-N 1 0 247.379 1.255 10 0 BDAERO c1cc2c(s1)[C@]1(C[C@@H]3COC[C@H]31)[NH2+]CC2 ZINC000725242880 537989793 /nfs/dbraw/zinc/98/97/93/537989793.db2.gz NNYUKOBJOHQGKH-CKYFFXLPSA-N 1 0 221.325 1.755 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1[C@H]1CCSC1 ZINC000250939344 362827791 /nfs/dbraw/zinc/82/77/91/362827791.db2.gz ZAGFSBOLXLAJOV-UWVGGRQHSA-N 1 0 200.351 1.305 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)C(C)C ZINC000020523498 347440538 /nfs/dbraw/zinc/44/05/38/347440538.db2.gz JIFNTUQBGBDVDQ-VHSXEESVSA-N 1 0 200.326 1.521 10 0 BDAERO CCC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616568270 347444753 /nfs/dbraw/zinc/44/47/53/347444753.db2.gz ADSDIVRUQIQHSG-QWHCGFSZSA-N 1 0 232.327 1.740 10 0 BDAERO CC[NH2+][C@@H](CC)c1cn(Cc2cccnc2)nn1 ZINC000616568528 347447660 /nfs/dbraw/zinc/44/76/60/347447660.db2.gz CBBUCCOMAHNECF-LBPRGKRZSA-N 1 0 245.330 1.782 10 0 BDAERO Cc1ccccc1CC(=O)NC1CC([NH3+])C1 ZINC000036237307 179257865 /nfs/dbraw/zinc/25/78/65/179257865.db2.gz ZKANBKYJTNFTHZ-UHFFFAOYSA-N 1 0 218.300 1.143 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(OC)cc1OC ZINC000036779466 347576217 /nfs/dbraw/zinc/57/62/17/347576217.db2.gz QRAQXGSZRPSRHU-JQWIXIFHSA-N 1 0 225.288 1.475 10 0 BDAERO [NH3+][C@H](c1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000149991887 347583847 /nfs/dbraw/zinc/58/38/47/347583847.db2.gz UFMWBFGWVGQEFY-RKDXNWHRSA-N 1 0 231.342 1.183 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)CC1CC1 ZINC000616569279 347643465 /nfs/dbraw/zinc/64/34/65/347643465.db2.gz IBRQUUOZMNBMCJ-WDEREUQCSA-N 1 0 210.321 1.291 10 0 BDAERO CC(C)C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CC1 ZINC000616569250 347643483 /nfs/dbraw/zinc/64/34/83/347643483.db2.gz HPDVFNIRWOJWLH-VXGBXAGGSA-N 1 0 224.348 1.537 10 0 BDAERO C=CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569272 347643487 /nfs/dbraw/zinc/64/34/87/347643487.db2.gz HWNFYTKTWZTZOM-STQMWFEESA-N 1 0 230.311 1.434 10 0 BDAERO Cc1ccccc1CCOC(=O)CC[NH3+] ZINC000077300331 179267032 /nfs/dbraw/zinc/26/70/32/179267032.db2.gz HQUVPCAOJWCIQY-UHFFFAOYSA-N 1 0 207.273 1.430 10 0 BDAERO Cc1ccccc1CNC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000048265954 179279078 /nfs/dbraw/zinc/27/90/78/179279078.db2.gz NIVBYKWIVCODQO-GXTWGEPZSA-N 1 0 246.354 1.999 10 0 BDAERO Cc1ccccc1Cc1nnc(CC[NH3+])[nH]1 ZINC000061844117 179293390 /nfs/dbraw/zinc/29/33/90/179293390.db2.gz WMKHGPSMKOUZTI-UHFFFAOYSA-N 1 0 216.288 1.205 10 0 BDAERO Cc1ccccc1N(C)C[C@H]1CC[C@H](C[NH3+])O1 ZINC000052542940 179294068 /nfs/dbraw/zinc/29/40/68/179294068.db2.gz FROZUOVZYHJGES-CHWSQXEVSA-N 1 0 234.343 1.938 10 0 BDAERO O=C(C1CCCC1)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000616569625 347806810 /nfs/dbraw/zinc/80/68/10/347806810.db2.gz BLELVIPFVSEWQA-NEPJUHHUSA-N 1 0 222.332 1.530 10 0 BDAERO Cc1ccccc1C[C@@H]([NH3+])[C@@H]1CCOC1 ZINC000048627592 179289899 /nfs/dbraw/zinc/28/98/99/179289899.db2.gz YVGSBRMASIAFBA-CHWSQXEVSA-N 1 0 205.301 1.901 10 0 BDAERO CCCCNC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669380939 537993014 /nfs/dbraw/zinc/99/30/14/537993014.db2.gz TYXOEOKEBOFZJB-JTQLQIEISA-N 1 0 237.294 1.458 10 0 BDAERO Cc1ccccc1C[C@H](O)C[NH2+]C1CC1 ZINC000071509540 179291608 /nfs/dbraw/zinc/29/16/08/179291608.db2.gz JRNLTDPQLFKKJL-ZDUSSCGKSA-N 1 0 205.301 1.650 10 0 BDAERO Cc1ccccc1S(=O)(=O)[C@@H](C)C[NH3+] ZINC000082642209 179315353 /nfs/dbraw/zinc/31/53/53/179315353.db2.gz TYUHBHCQZVDCMB-VIFPVBQESA-N 1 0 213.302 1.116 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])CN1CCCC1=O ZINC000022563460 179324613 /nfs/dbraw/zinc/32/46/13/179324613.db2.gz IRVWYCFSXORFPV-LBPRGKRZSA-N 1 0 218.300 1.617 10 0 BDAERO Cc1ccccc1[C@@H](O)CC[N@@H+]1CCC[C@@H]1CO ZINC000054025513 179326345 /nfs/dbraw/zinc/32/63/45/179326345.db2.gz CCSGHJOUGXSIKK-HIFRSBDPSA-N 1 0 249.354 1.875 10 0 BDAERO Cc1ccccc1[C@@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000062968116 179326537 /nfs/dbraw/zinc/32/65/37/179326537.db2.gz TYFDILHWIMGYTD-ZFWWWQNUSA-N 1 0 248.370 1.664 10 0 BDAERO Cc1ccccc1[C@H](C)NC(=O)C[NH+](C)C ZINC000015258464 179335950 /nfs/dbraw/zinc/33/59/50/179335950.db2.gz WCKQLFXJEUSSTC-NSHDSACASA-N 1 0 220.316 1.734 10 0 BDAERO Cc1ccccc1[C@@](C)(O)C[NH2+]C1CC1 ZINC000055033197 179332553 /nfs/dbraw/zinc/33/25/53/179332553.db2.gz OXRZYXZSYNSHDU-ZDUSSCGKSA-N 1 0 205.301 1.955 10 0 BDAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000070231092 349978396 /nfs/dbraw/zinc/97/83/96/349978396.db2.gz VVXLKNTZRLKJCL-LLVKDONJSA-N 1 0 233.315 1.434 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000037169382 348024866 /nfs/dbraw/zinc/02/48/66/348024866.db2.gz GCSRKKXQXJACLV-LLVKDONJSA-N 1 0 207.273 1.866 10 0 BDAERO Cc1ccccc1[C@@](C)([NH2+]CC1CC1)C(N)=O ZINC000037952186 179333157 /nfs/dbraw/zinc/33/31/57/179333157.db2.gz IRIXWNNZYWDPIV-CQSZACIVSA-N 1 0 232.327 1.695 10 0 BDAERO COCCC(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616570669 348079607 /nfs/dbraw/zinc/07/96/07/348079607.db2.gz BYKCLNNLKZGUGI-JTQLQIEISA-N 1 0 236.315 1.359 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])N(C)CC(=O)N(C)C ZINC000043034721 179341423 /nfs/dbraw/zinc/34/14/23/179341423.db2.gz GTLLUTDOZYBVED-ZDUSSCGKSA-N 1 0 249.358 1.015 10 0 BDAERO Cc1ccccc1[C@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300021 179343099 /nfs/dbraw/zinc/34/30/99/179343099.db2.gz DHHADQPCRZGIDA-ZYHUDNBSSA-N 1 0 239.340 1.430 10 0 BDAERO Cc1ccccc1[C@H]([NH2+]C(C)C)C(N)=O ZINC000037869378 179343102 /nfs/dbraw/zinc/34/31/02/179343102.db2.gz HNPBQDIBJZQNMY-NSHDSACASA-N 1 0 206.289 1.519 10 0 BDAERO Cc1ccccc1[C@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000062968115 179345946 /nfs/dbraw/zinc/34/59/46/179345946.db2.gz TYFDILHWIMGYTD-DZGCQCFKSA-N 1 0 248.370 1.664 10 0 BDAERO Cc1cccn(Cc2cccnc2C[NH3+])c1=O ZINC000062985745 179352998 /nfs/dbraw/zinc/35/29/98/179352998.db2.gz KMKUDBPEVIQLPR-UHFFFAOYSA-N 1 0 229.283 1.059 10 0 BDAERO C/C=C\C(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616571034 348093918 /nfs/dbraw/zinc/09/39/18/348093918.db2.gz DNROXLXCIHLOLR-ATPLWMGHSA-N 1 0 218.300 1.899 10 0 BDAERO OCC[N@@H+]1CC[C@H](c2cnnc3ccccc32)C1 ZINC000616613561 349983585 /nfs/dbraw/zinc/98/35/85/349983585.db2.gz LTOMHTDHOHECRE-NSHDSACASA-N 1 0 243.310 1.411 10 0 BDAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CCCOCC1 ZINC000725244882 538000440 /nfs/dbraw/zinc/00/04/40/538000440.db2.gz NMVIVXAXFLGIKQ-LBPRGKRZSA-N 1 0 229.320 1.474 10 0 BDAERO CCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595374986 348232872 /nfs/dbraw/zinc/23/28/72/348232872.db2.gz JILWGBGSBKUZTR-WISYIIOYSA-N 1 0 225.332 1.916 10 0 BDAERO [NH3+]Cc1ccc(Cl)c(N2CCCC2)n1 ZINC000669382341 538000893 /nfs/dbraw/zinc/00/08/93/538000893.db2.gz KDQQHBDZBLHWRB-UHFFFAOYSA-N 1 0 211.696 1.794 10 0 BDAERO CCOC(=O)[C@]1(CC)O[C@]1(C)CC[NH+](C)C ZINC000669382315 538000717 /nfs/dbraw/zinc/00/07/17/538000717.db2.gz GCXCCDJZFRIBEJ-NEPJUHHUSA-N 1 0 229.320 1.439 10 0 BDAERO C[C@@H]1CCN(Cc2cccs2)C[C@H]1[NH3+] ZINC000251675818 362896970 /nfs/dbraw/zinc/89/69/70/362896970.db2.gz LZZFYDANFIDSRD-MWLCHTKSSA-N 1 0 210.346 1.917 10 0 BDAERO C[C@@H]1C[S@](=O)[C@H]2CCCC(C)(C)[C@@H]2[NH2+]1 ZINC000251678858 362897189 /nfs/dbraw/zinc/89/71/89/362897189.db2.gz HSPKIUXSUDXIII-PUXPGTEJSA-N 1 0 215.362 1.674 10 0 BDAERO C[C@H]1C[NH2+]CCN1C[C@H]1CCCS1 ZINC000251604241 362889730 /nfs/dbraw/zinc/88/97/30/362889730.db2.gz DFGRGIUPNNHCBN-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]1CC[C@H]([C@H]2[NH2+]CC[C@@H](C)S2)O1 ZINC000251645822 362893968 /nfs/dbraw/zinc/89/39/68/362893968.db2.gz FIWRMMVONAPWPW-KYXWUPHJSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@@H]1C[C@@]2(C[C@H](C)O1)[NH2+]CCCS2 ZINC000251787398 362918874 /nfs/dbraw/zinc/91/88/74/362918874.db2.gz FTLSNUICLWMGNW-ILWJIGKKSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@]([NH3+])(C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000037460122 348614624 /nfs/dbraw/zinc/61/46/24/348614624.db2.gz CXRYJRYEHIPMKI-VIFPVBQESA-N 1 0 233.098 1.653 10 0 BDAERO Cc1cnc(C)c(OC[C@H]2CCC[NH2+]2)n1 ZINC000051865873 179582285 /nfs/dbraw/zinc/58/22/85/179582285.db2.gz OXKQDNAJMMVHDF-SNVBAGLBSA-N 1 0 207.277 1.224 10 0 BDAERO COC(=O)[C@]1(C)O[C@]12CCC[C@H]([NH+](C)C)C2 ZINC000669383579 538010416 /nfs/dbraw/zinc/01/04/16/538010416.db2.gz SKZHONAOOLWOIX-DLOVCJGASA-N 1 0 227.304 1.191 10 0 BDAERO Cc1cnc(NC2CC[NH2+]CC2)nc1Cl ZINC000095069333 179631794 /nfs/dbraw/zinc/63/17/94/179631794.db2.gz AFPLRBIYMUNUMB-UHFFFAOYSA-N 1 0 226.711 1.602 10 0 BDAERO Cc1cnc(N[C@H]2CCC[NH2+]C2)nc1Cl ZINC000095069315 179642606 /nfs/dbraw/zinc/64/26/06/179642606.db2.gz SBNOCJPVMMCJIP-QMMMGPOBSA-N 1 0 226.711 1.602 10 0 BDAERO CC(C)C(=O)N1CC[C@@H]2[C@@H]([NH3+])CCC[C@@H]2C1 ZINC000669383370 538011475 /nfs/dbraw/zinc/01/14/75/538011475.db2.gz UIHBJSBVTDDONL-WOPDTQHZSA-N 1 0 224.348 1.618 10 0 BDAERO [NH3+][C@@H]1C[C@]12CNc1cccc(Br)c12 ZINC000725247803 538013061 /nfs/dbraw/zinc/01/30/61/538013061.db2.gz YUOIWUKCMMIZIO-SCZZXKLOSA-N 1 0 239.116 1.843 10 0 BDAERO CCOc1ccc2c(c1)[C@@]1(C[C@H]1[NH3+])CN2 ZINC000725247174 538013898 /nfs/dbraw/zinc/01/38/98/538013898.db2.gz JQJVMTCTBXSBMK-VXGBXAGGSA-N 1 0 204.273 1.480 10 0 BDAERO C[C@@]1(O)CCN2CC[NH2+]Cc3cccc1c32 ZINC000207772625 348820540 /nfs/dbraw/zinc/82/05/40/348820540.db2.gz RLJXLVOZTUAUGB-CYBMUJFWSA-N 1 0 218.300 1.207 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1COC ZINC000054073132 348888317 /nfs/dbraw/zinc/88/83/17/348888317.db2.gz ICUDLFWTWCHLLV-SECBINFHSA-N 1 0 222.288 1.379 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000054074535 348890206 /nfs/dbraw/zinc/89/02/06/348890206.db2.gz HRUJMUBNJYNGPR-VHSXEESVSA-N 1 0 236.315 1.480 10 0 BDAERO Cc1cccnc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054305770 348979130 /nfs/dbraw/zinc/97/91/30/348979130.db2.gz DFGIKLYJCVRJLY-NSHDSACASA-N 1 0 233.315 1.718 10 0 BDAERO C[C@H]1CSCC[N@@H+]1[C@H]1CCCC(=O)C1 ZINC000251842950 362935037 /nfs/dbraw/zinc/93/50/37/362935037.db2.gz QQMBAFAHWUQSFR-UWVGGRQHSA-N 1 0 213.346 1.935 10 0 BDAERO C[C@H]1CCCN(c2ncnc3[nH]ccc32)[C@H]1C[NH3+] ZINC000420179448 192170914 /nfs/dbraw/zinc/17/09/14/192170914.db2.gz CBGWIORRMRUOSC-ONGXEEELSA-N 1 0 245.330 1.522 10 0 BDAERO C/C=C\C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000616571817 349061309 /nfs/dbraw/zinc/06/13/09/349061309.db2.gz NQWYYPFRIVWJDD-PLNGDYQASA-N 1 0 224.348 1.786 10 0 BDAERO C/C=C/C(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616572014 349064958 /nfs/dbraw/zinc/06/49/58/349064958.db2.gz SMUFTFNSTWQOIY-GKUNOOHESA-N 1 0 224.348 1.703 10 0 BDAERO Cc1cc(C(F)F)nc([C@H](C)C[NH3+])n1 ZINC000616577044 349112151 /nfs/dbraw/zinc/11/21/51/349112151.db2.gz HLFNTGAOXRMXGQ-RXMQYKEDSA-N 1 0 201.220 1.785 10 0 BDAERO Cc1csc(Cc2nccc(CC[NH3+])n2)n1 ZINC000055270007 179781554 /nfs/dbraw/zinc/78/15/54/179781554.db2.gz HKGMXSURKKAMBC-UHFFFAOYSA-N 1 0 234.328 1.334 10 0 BDAERO CO[C@@]1(COc2ccccc2C)CC[NH2+]C1 ZINC000616579521 349159875 /nfs/dbraw/zinc/15/98/75/349159875.db2.gz RHEKUEUOXNWTEL-ZDUSSCGKSA-N 1 0 221.300 1.752 10 0 BDAERO CCCc1ncc(C(=O)OC)c([C@@H]2CCC[NH2+]2)n1 ZINC000616579499 349164731 /nfs/dbraw/zinc/16/47/31/349164731.db2.gz RFRWSLXPEOAFFY-JTQLQIEISA-N 1 0 249.314 1.640 10 0 BDAERO CCc1csc(N(C)C2CC([NH3+])C2)n1 ZINC000307067317 349171759 /nfs/dbraw/zinc/17/17/59/349171759.db2.gz KWDHJJGMVDRWCN-UHFFFAOYSA-N 1 0 211.334 1.631 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000253069291 349226537 /nfs/dbraw/zinc/22/65/37/349226537.db2.gz LMXSKBIEBGOZMT-JHJVBQTASA-N 1 0 238.375 1.881 10 0 BDAERO CN1CCC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000251129558 538036461 /nfs/dbraw/zinc/03/64/61/538036461.db2.gz GPLDXEWTCNLGQJ-UMSGYPCISA-N 1 0 238.375 1.484 10 0 BDAERO Cc1ccc2oc(N[C@H]3CC[NH2+]C3)nc2c1 ZINC000212133213 349301683 /nfs/dbraw/zinc/30/16/83/349301683.db2.gz BSVAZKXFBOZDMF-VIFPVBQESA-N 1 0 217.272 1.910 10 0 BDAERO O=C1Nc2c(cccc2Cl)[C@@]12CC[NH2+]C2 ZINC000211564249 349274681 /nfs/dbraw/zinc/27/46/81/349274681.db2.gz DUUDTIROVQYKSD-NSHDSACASA-N 1 0 222.675 1.523 10 0 BDAERO CC[C@H](C)n1nccc1[C@@H](O)C[NH2+]C(C)C ZINC000725253496 538037953 /nfs/dbraw/zinc/03/79/53/538037953.db2.gz NFIOTOQIUYECPD-JQWIXIFHSA-N 1 0 225.336 1.886 10 0 BDAERO O=Cc1ccc2c(c1)[nH]c1c2CC[NH2+]C1 ZINC000725253990 538041808 /nfs/dbraw/zinc/04/18/08/538041808.db2.gz XTNINTFKBRGRJM-UHFFFAOYSA-N 1 0 200.241 1.626 10 0 BDAERO CNc1ccc2c(c1)[nH]c1c2CC[NH2+]C1 ZINC000725253839 538039885 /nfs/dbraw/zinc/03/98/85/538039885.db2.gz LSEVGCSYYKGURH-UHFFFAOYSA-N 1 0 201.273 1.855 10 0 BDAERO Cc1nc(C)c(CC[NH2+]C2CC2)c(C)n1 ZINC000054853854 179908951 /nfs/dbraw/zinc/90/89/51/179908951.db2.gz XQYUWHYJGNXKBM-UHFFFAOYSA-N 1 0 205.305 1.696 10 0 BDAERO CC[NH2+]CCCNc1ncnc2c1CCC2 ZINC000061277640 349373684 /nfs/dbraw/zinc/37/36/84/349373684.db2.gz ZUZRMQFOJSZVQW-UHFFFAOYSA-N 1 0 220.320 1.377 10 0 BDAERO c1nc2c(c(NC[C@H]3CCC[NH2+]C3)n1)CCC2 ZINC000061277682 349373857 /nfs/dbraw/zinc/37/38/57/349373857.db2.gz IDUXMRBYFHKNEE-JTQLQIEISA-N 1 0 232.331 1.377 10 0 BDAERO Cc1nc(C)c([C@@H](C)NC(=O)[C@H](C)[NH3+])s1 ZINC000040519054 179919402 /nfs/dbraw/zinc/91/94/02/179919402.db2.gz HOBYMDHNCSRJIZ-CAHLUQPWSA-N 1 0 227.333 1.284 10 0 BDAERO Cc1nc(CN(C)C(=O)C[C@H](C)[NH3+])cs1 ZINC000044609798 179943838 /nfs/dbraw/zinc/94/38/38/179943838.db2.gz BXANZTVOXOIQRD-ZETCQYMHSA-N 1 0 227.333 1.147 10 0 BDAERO Cc1cncc(C[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000324451199 323234422 /nfs/dbraw/zinc/23/44/22/323234422.db2.gz GGSVTWGNGCKYLS-LBPRGKRZSA-N 1 0 222.332 1.887 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000070532775 350017037 /nfs/dbraw/zinc/01/70/37/350017037.db2.gz MPNSXELMPUMNGK-QJPTWQEYSA-N 1 0 226.364 1.927 10 0 BDAERO CC[C@H]([NH3+])CNc1cncc(OC(C)C)n1 ZINC000070580182 350024911 /nfs/dbraw/zinc/02/49/11/350024911.db2.gz BFSUYHIANWXHNG-VIFPVBQESA-N 1 0 224.308 1.413 10 0 BDAERO CS[C@H](C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601976191 349412156 /nfs/dbraw/zinc/41/21/56/349412156.db2.gz UAIJBCHFQOCCQX-SCVCMEIPSA-N 1 0 242.388 1.244 10 0 BDAERO OC[C@H]1C[N@@H+]([C@@H]2C=CCCCCC2)CCO1 ZINC000309135013 350080400 /nfs/dbraw/zinc/08/04/00/350080400.db2.gz DAESNDRTIFZDII-CHWSQXEVSA-N 1 0 225.332 1.568 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616613853 350067825 /nfs/dbraw/zinc/06/78/25/350067825.db2.gz SSDRJUQIJGLBDC-ZDUSSCGKSA-N 1 0 232.327 1.983 10 0 BDAERO C[C@H](C[NH3+])[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000218375879 350090884 /nfs/dbraw/zinc/09/08/84/350090884.db2.gz YJHZXRHNVTYEHV-MXWKQRLJSA-N 1 0 215.362 1.884 10 0 BDAERO Cc1nc([C@@H]2CCOC2)sc1[C@@H](C)[NH3+] ZINC000051691370 180045707 /nfs/dbraw/zinc/04/57/07/180045707.db2.gz XALVYOWRPCFADW-HTRCEHHLSA-N 1 0 212.318 1.975 10 0 BDAERO C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)N(C)C1CC1 ZINC000304248912 350150356 /nfs/dbraw/zinc/15/03/56/350150356.db2.gz QHQHOFGKUPLWQO-PWSUYJOCSA-N 1 0 228.380 1.466 10 0 BDAERO CO[C@H](C)c1nsc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000304243840 350150365 /nfs/dbraw/zinc/15/03/65/350150365.db2.gz FBIWWNHQPQQVMR-GJMOJQLCSA-N 1 0 244.364 1.783 10 0 BDAERO Cc1[nH+]c2cc(N)ccc2n1Cc1ccnn1C ZINC000071335134 180080795 /nfs/dbraw/zinc/08/07/95/180080795.db2.gz WNJGSNLZPGTAEJ-UHFFFAOYSA-N 1 0 241.298 1.709 10 0 BDAERO Cc1[nH+]c2cc(N)ccc2n1Cc1nccn1C ZINC000071275904 180082555 /nfs/dbraw/zinc/08/25/55/180082555.db2.gz GRAPFVOTMCGDIF-UHFFFAOYSA-N 1 0 241.298 1.709 10 0 BDAERO CCS(=O)(=O)N(C)c1cc(F)cc(C[NH3+])c1 ZINC000725255896 538053410 /nfs/dbraw/zinc/05/34/10/538053410.db2.gz PDNSIXIPFKOWHD-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO CC[C@@H](C)N(C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304230348 350145972 /nfs/dbraw/zinc/14/59/72/350145972.db2.gz KMIBSRSDJLSDLP-VXGBXAGGSA-N 1 0 230.396 1.713 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)[C@H]1CCOC1 ZINC000133057105 191036595 /nfs/dbraw/zinc/03/65/95/191036595.db2.gz ZOPFOLRNHQGBIC-MJBXVCDLSA-N 1 0 240.391 1.875 10 0 BDAERO COC(C)(C)C[NH2+]Cc1cnn(C)c1C ZINC000133676427 191041842 /nfs/dbraw/zinc/04/18/42/191041842.db2.gz UVPKLCYZDMFJKE-UHFFFAOYSA-N 1 0 211.309 1.243 10 0 BDAERO Cc1nc2ccccc2n(C[C@@H](C)[NH3+])c1=O ZINC000052099124 180101355 /nfs/dbraw/zinc/10/13/55/180101355.db2.gz RLOCQDBVEVEHHU-MRVPVSSYSA-N 1 0 217.272 1.052 10 0 BDAERO Cc1nc2ccccc2cc1C(=O)NCC[NH3+] ZINC000158704130 180102076 /nfs/dbraw/zinc/10/20/76/180102076.db2.gz ZQKAEKIBCANRTA-UHFFFAOYSA-N 1 0 229.283 1.232 10 0 BDAERO Cc1nc2ccccc2n1OCC[NH+](C)C ZINC000039110088 180104394 /nfs/dbraw/zinc/10/43/94/180104394.db2.gz MRMAOUXIROUPAG-UHFFFAOYSA-N 1 0 219.288 1.335 10 0 BDAERO Cc1ncc(C[NH3+])c(-c2cccs2)n1 ZINC000038581031 180140244 /nfs/dbraw/zinc/14/02/44/180140244.db2.gz WZFIAUFGXFBBBP-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO Cc1csc2nc(C)c([C@H]3C[C@@H]3[NH3+])n12 ZINC000062494936 180116989 /nfs/dbraw/zinc/11/69/89/180116989.db2.gz NYXRTIPJNRABBW-YUMQZZPRSA-N 1 0 207.302 1.827 10 0 BDAERO Cc1csc2nc(C)c([C@H]3C[C@H]3[NH3+])n12 ZINC000062494938 180117094 /nfs/dbraw/zinc/11/70/94/180117094.db2.gz NYXRTIPJNRABBW-JGVFFNPUSA-N 1 0 207.302 1.827 10 0 BDAERO C[C@@H](C[NH3+])CNc1nccc(C(F)(F)F)n1 ZINC000083387515 350191264 /nfs/dbraw/zinc/19/12/64/350191264.db2.gz VMELRGHUYKSHFX-LURJTMIESA-N 1 0 234.225 1.502 10 0 BDAERO Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2O)cn1 ZINC000309731045 180152594 /nfs/dbraw/zinc/15/25/94/180152594.db2.gz ZZLLQZZGKPAGPL-VXGBXAGGSA-N 1 0 221.304 1.036 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC=CCC1 ZINC000084212416 490380911 /nfs/dbraw/zinc/38/09/11/490380911.db2.gz FJRLOHRXMWAGMC-SDDRHHMPSA-N 1 0 222.332 1.586 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC=CCC1 ZINC000084212418 490381018 /nfs/dbraw/zinc/38/10/18/490381018.db2.gz FJRLOHRXMWAGMC-SRVKXCTJSA-N 1 0 222.332 1.586 10 0 BDAERO CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]2CO)CCO1 ZINC000309239769 350214700 /nfs/dbraw/zinc/21/47/00/350214700.db2.gz YCTBCERJIMZDTP-WRWGMCAJSA-N 1 0 213.321 1.162 10 0 BDAERO O=C(Nc1ccnn1C1C[NH2+]C1)NC1CCCC1 ZINC000725258214 538072906 /nfs/dbraw/zinc/07/29/06/538072906.db2.gz LBKHZNHMDRDGEY-UHFFFAOYSA-N 1 0 249.318 1.092 10 0 BDAERO Cc1nnc(NC[C@H]([NH3+])C(C)C)s1 ZINC000083584881 350244175 /nfs/dbraw/zinc/24/41/75/350244175.db2.gz OCZRXSIFGLWUTG-ZETCQYMHSA-N 1 0 200.311 1.242 10 0 BDAERO Cc1nccn1CCN1CCC[C@H]1C[NH2+]C1CC1 ZINC000053649489 180250695 /nfs/dbraw/zinc/25/06/95/180250695.db2.gz FSEPRUVQAVFKLY-AWEZNQCLSA-N 1 0 248.374 1.408 10 0 BDAERO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(C)C)C[C@H]1C ZINC000319535158 350267232 /nfs/dbraw/zinc/26/72/32/350267232.db2.gz CTJKGPNNIVHLAK-GMTAPVOTSA-N 1 0 213.321 1.772 10 0 BDAERO Cc1nccn1CC[NH2+][C@H]1CCCC[C@@H]1O ZINC000052015183 180263073 /nfs/dbraw/zinc/26/30/73/180263073.db2.gz FJUMRSWHHPFQIJ-RYUDHWBXSA-N 1 0 223.320 1.085 10 0 BDAERO Cc1nccn1CCOc1ccccc1C(N)=[NH2+] ZINC000049330668 180263605 /nfs/dbraw/zinc/26/36/05/180263605.db2.gz DBWXVRASZSUEQK-UHFFFAOYSA-N 1 0 244.298 1.555 10 0 BDAERO Cc1nccn1[C@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043354892 180271716 /nfs/dbraw/zinc/27/17/16/180271716.db2.gz NAOAGDGGCWLYKS-CABZTGNLSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1nccn1[C@@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043348738 180271910 /nfs/dbraw/zinc/27/19/10/180271910.db2.gz CXZBRRLHPOKYMP-JOYOIKCWSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1nccn1[C@H](C[NH3+])c1ccncc1 ZINC000043354888 180271990 /nfs/dbraw/zinc/27/19/90/180271990.db2.gz DUGNKHYLNVKYEP-LLVKDONJSA-N 1 0 202.261 1.135 10 0 BDAERO Cc1ncn([C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])c1C ZINC000051925761 180288759 /nfs/dbraw/zinc/28/87/59/180288759.db2.gz LVJAJKGQJFBQTJ-PRHODGIISA-N 1 0 233.319 1.170 10 0 BDAERO [NH3+]C[C@H](n1cc(Cl)cn1)C(F)(F)F ZINC000038053332 350300076 /nfs/dbraw/zinc/30/00/76/350300076.db2.gz RZRWKCMLEFCYFE-YFKPBYRVSA-N 1 0 213.590 1.599 10 0 BDAERO COc1ccncc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000324472681 350303704 /nfs/dbraw/zinc/30/37/04/350303704.db2.gz HHLHJPHRTYMPFM-LBPRGKRZSA-N 1 0 238.331 1.587 10 0 BDAERO C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC000725262036 538088099 /nfs/dbraw/zinc/08/80/99/538088099.db2.gz SJWXYVYEPBQNTO-NXEZZACHSA-N 1 0 246.326 1.943 10 0 BDAERO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000275872685 180283428 /nfs/dbraw/zinc/28/34/28/180283428.db2.gz OHZXXGFIWHUQLY-SDDRHHMPSA-N 1 0 235.331 1.739 10 0 BDAERO Cc1ncn(-c2ccc(C[NH2+]C3CC3)nn2)c1C ZINC000051928448 180284938 /nfs/dbraw/zinc/28/49/38/180284938.db2.gz JKYINXCGYRJQEO-UHFFFAOYSA-N 1 0 243.314 1.531 10 0 BDAERO Cc1ncoc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000083334094 180296381 /nfs/dbraw/zinc/29/63/81/180296381.db2.gz OQJFOPHMRZDGRJ-UHFFFAOYSA-N 1 0 234.259 1.500 10 0 BDAERO Cc1ncsc1-c1nc([C@@H](C)[NH3+])no1 ZINC000041052183 180301849 /nfs/dbraw/zinc/30/18/49/180301849.db2.gz DUERUEADUSBHJE-SCSAIBSYSA-N 1 0 210.262 1.521 10 0 BDAERO Cc1ncsc1-c1nc([C@H](C)[NH3+])no1 ZINC000041052184 180301860 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/nfs/dbraw/zinc/17/02/26/351170226.db2.gz ZONUPUHJCQFQRT-CQSZACIVSA-N 1 0 235.327 1.961 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cnoc1 ZINC000616646669 351172527 /nfs/dbraw/zinc/17/25/27/351172527.db2.gz SVCASLFAYSMRCL-LLVKDONJSA-N 1 0 210.277 1.846 10 0 BDAERO CC[N@@H+]1CCCO[C@H](c2cccc(CO)c2)C1 ZINC000616650380 351173282 /nfs/dbraw/zinc/17/32/82/351173282.db2.gz YZGCTFASXQLACI-AWEZNQCLSA-N 1 0 235.327 1.962 10 0 BDAERO CC[N@@H+]1CCCOC[C@H]1c1cccnc1 ZINC000616649599 351179012 /nfs/dbraw/zinc/17/90/12/351179012.db2.gz MWLMNQBIZGCNIX-LBPRGKRZSA-N 1 0 206.289 1.865 10 0 BDAERO CC[N@@H+]1CCCO[C@@H](c2cccc(CO)c2)C1 ZINC000616653914 351194553 /nfs/dbraw/zinc/19/45/53/351194553.db2.gz YZGCTFASXQLACI-CQSZACIVSA-N 1 0 235.327 1.962 10 0 BDAERO OCCc1ccc([C@@H]2C[NH2+]CCCO2)cc1 ZINC000616652911 351187409 /nfs/dbraw/zinc/18/74/09/351187409.db2.gz RGLPXGGXUXOCHF-ZDUSSCGKSA-N 1 0 221.300 1.272 10 0 BDAERO COC(=O)[C@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616652120 351189760 /nfs/dbraw/zinc/18/97/60/351189760.db2.gz DEEVELJZKOKSJH-SECBINFHSA-N 1 0 215.293 1.049 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1ccccc1N ZINC000616636507 351127270 /nfs/dbraw/zinc/12/72/70/351127270.db2.gz CNFQVRAJMJTOJQ-ZDUSSCGKSA-N 1 0 219.332 1.624 10 0 BDAERO C[NH2+]C[C@H](O)c1c(Cl)ccc(F)c1F ZINC000306823234 351130834 /nfs/dbraw/zinc/13/08/34/351130834.db2.gz PLJYBOPWIDUDKK-ZETCQYMHSA-N 1 0 221.634 1.871 10 0 BDAERO CC(C)N1CC[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000616637338 351132034 /nfs/dbraw/zinc/13/20/34/351132034.db2.gz KSFDDYJESSLTIK-CYBMUJFWSA-N 1 0 219.332 1.624 10 0 BDAERO CCOC(=O)c1ccc([C@@H]2C[NH2+]CCN2C)cc1 ZINC000616637176 351133740 /nfs/dbraw/zinc/13/37/40/351133740.db2.gz IMDZKRVSVPZXPH-ZDUSSCGKSA-N 1 0 248.326 1.439 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1cccc(C(N)=O)c1 ZINC000616638048 351136029 /nfs/dbraw/zinc/13/60/29/351136029.db2.gz UPDIIMIQJBZLTH-ZDUSSCGKSA-N 1 0 247.342 1.140 10 0 BDAERO CCOC(=O)c1cccc([C@H]2C[NH2+]CCN2C)c1 ZINC000616637910 351136978 /nfs/dbraw/zinc/13/69/78/351136978.db2.gz SIKGKKLHPKPMRM-CYBMUJFWSA-N 1 0 248.326 1.439 10 0 BDAERO CC(C)(C)[N@@H+]1CCNC[C@H]1c1ccc(CO)cc1 ZINC000616638602 351140634 /nfs/dbraw/zinc/14/06/34/351140634.db2.gz ZXBHQVIYBLFNLL-AWEZNQCLSA-N 1 0 248.370 1.924 10 0 BDAERO [NH3+]CCN1C[C@H](n2ccnc2)Cc2ccccc21 ZINC000616674131 351238037 /nfs/dbraw/zinc/23/80/37/351238037.db2.gz XVIZCKNOWGQBPN-CYBMUJFWSA-N 1 0 242.326 1.446 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2nnc[nH]2)c2ccccc21 ZINC000616674584 351239481 /nfs/dbraw/zinc/23/94/81/351239481.db2.gz KAAUXJUOPBHOGZ-LLVKDONJSA-N 1 0 243.314 1.105 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cnno2)c2ccccc21 ZINC000616674994 351242287 /nfs/dbraw/zinc/24/22/87/351242287.db2.gz ICLJNJNEIDLPHC-NSHDSACASA-N 1 0 244.298 1.370 10 0 BDAERO CN1CCO[C@@H](c2ccc3nnccc3c2)C1 ZINC000616677676 351244639 /nfs/dbraw/zinc/24/46/39/351244639.db2.gz PIEPNEYTCSNZEB-CYBMUJFWSA-N 1 0 229.283 1.633 10 0 BDAERO OCCN1CCc2ccccc2[C@H]1c1ncco1 ZINC000616679411 351250521 /nfs/dbraw/zinc/25/05/21/351250521.db2.gz SHFDEBGEUYZCIT-ZDUSSCGKSA-N 1 0 244.294 1.614 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2c[nH]cn2)CC1 ZINC000616684151 351255111 /nfs/dbraw/zinc/25/51/11/351255111.db2.gz DTVUQSHFTXAMAV-NSHDSACASA-N 1 0 209.293 1.582 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2ncc[nH]2)CC1 ZINC000616684133 351255138 /nfs/dbraw/zinc/25/51/38/351255138.db2.gz DDWHNOWHWZWXGV-JTQLQIEISA-N 1 0 209.293 1.582 10 0 BDAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1c(Br)cnn1C ZINC000306870110 351259513 /nfs/dbraw/zinc/25/95/13/351259513.db2.gz UYSOZZTXGSGOIE-ACZMJKKPSA-N 1 0 244.136 1.633 10 0 BDAERO C[N@@H+]1CCOCC[C@H]1c1cccc(N)n1 ZINC000616656767 351197517 /nfs/dbraw/zinc/19/75/17/351197517.db2.gz GWPIUZLGPAVHSH-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO CCOC(=O)c1cccc([C@@H]2CCOCC[NH2+]2)c1 ZINC000616657714 351199011 /nfs/dbraw/zinc/19/90/11/351199011.db2.gz HCFXPCZYSZOJOZ-ZDUSSCGKSA-N 1 0 249.310 1.914 10 0 BDAERO CC(C)N1CCOCC[C@H]1c1cnno1 ZINC000616656057 351201718 /nfs/dbraw/zinc/20/17/18/351201718.db2.gz HARNWHCHBLYHAX-VIFPVBQESA-N 1 0 211.265 1.241 10 0 BDAERO OCC[N@@H+]1CCOC[C@@H](c2ccc(F)cc2)C1 ZINC000616660486 351203387 /nfs/dbraw/zinc/20/33/87/351203387.db2.gz LLXJCLJQUVFLIY-LBPRGKRZSA-N 1 0 239.290 1.234 10 0 BDAERO C[C@H]1C[C@H]([N@@H+]2CCNC(C)(C)C2)CS1 ZINC000306859560 351204028 /nfs/dbraw/zinc/20/40/28/351204028.db2.gz DBLSHZRMHUUERN-UWVGGRQHSA-N 1 0 214.378 1.564 10 0 BDAERO OCc1ccc([C@@H]2CCOCC[NH2+]2)cc1 ZINC000616659588 351208362 /nfs/dbraw/zinc/20/83/62/351208362.db2.gz POACQQKDIXQKDX-LBPRGKRZSA-N 1 0 207.273 1.230 10 0 BDAERO CNc1ccc([C@H]2C[NH2+]CCOC2)cc1 ZINC000616659944 351209018 /nfs/dbraw/zinc/20/90/18/351209018.db2.gz KQVKPXPYWNQQJW-NSHDSACASA-N 1 0 206.289 1.432 10 0 BDAERO CC[N@@H+]1CCOC[C@H](c2cccnc2N)C1 ZINC000616661505 351209987 /nfs/dbraw/zinc/20/99/87/351209987.db2.gz SZQQLZNBPMUXPM-SNVBAGLBSA-N 1 0 221.304 1.100 10 0 BDAERO CN(C)[C@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616661989 351212334 /nfs/dbraw/zinc/21/23/34/351212334.db2.gz XSBOTGALPGNTRC-SNVBAGLBSA-N 1 0 200.326 1.047 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cnoc2)C1 ZINC000616660641 351212560 /nfs/dbraw/zinc/21/25/60/351212560.db2.gz NAXKHSZTTFIXBJ-NSHDSACASA-N 1 0 224.304 1.889 10 0 BDAERO CNc1ccc([C@H]2CC[NH2+]CCO2)cc1 ZINC000616663202 351215697 /nfs/dbraw/zinc/21/56/97/351215697.db2.gz HWZXBTSZKUDZFX-GFCCVEGCSA-N 1 0 206.289 1.779 10 0 BDAERO c1cc2nnccc2c([C@@H]2C[NH2+]CCOC2)c1 ZINC000616662426 351218436 /nfs/dbraw/zinc/21/84/36/351218436.db2.gz HSPYSHLNSDZUKE-SNVBAGLBSA-N 1 0 229.283 1.333 10 0 BDAERO CCOC(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063212774 351280938 /nfs/dbraw/zinc/28/09/38/351280938.db2.gz OIMLNASIBLGZIY-RKDXNWHRSA-N 1 0 200.282 1.393 10 0 BDAERO Clc1ccc(OC[C@H]2CC[NH2+]C2)nn1 ZINC000051889166 180583738 /nfs/dbraw/zinc/58/37/38/180583738.db2.gz JMMVMNYAPVNXCJ-ZETCQYMHSA-N 1 0 213.668 1.118 10 0 BDAERO C[C@H]([NH3+])C(=O)NC1CCC(F)(F)CC1 ZINC000306884959 351291308 /nfs/dbraw/zinc/29/13/08/351291308.db2.gz QWRDRIDIQYPMCS-LURJTMIESA-N 1 0 206.236 1.028 10 0 BDAERO C[C@]1([C@H]2CC[C@@H](C[NH3+])O2)CCCS1 ZINC000306887659 351295205 /nfs/dbraw/zinc/29/52/05/351295205.db2.gz RAHRTZYFMJGZHK-IVZWLZJFSA-N 1 0 201.335 1.778 10 0 BDAERO C[C@@]1(c2nnc(CC[NH3+])[nH]2)CCCS1 ZINC000306910519 351322990 /nfs/dbraw/zinc/32/29/90/351322990.db2.gz ISAZYZZJHAIYSX-VIFPVBQESA-N 1 0 212.322 1.048 10 0 BDAERO CCc1csc(N[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000063176679 351269819 /nfs/dbraw/zinc/26/98/19/351269819.db2.gz NNMJPAREUDXZGO-RKDXNWHRSA-N 1 0 211.334 1.997 10 0 BDAERO CC[C@H]([NH3+])[C@@H](C)Nc1nnc(C)s1 ZINC000306878838 351272088 /nfs/dbraw/zinc/27/20/88/351272088.db2.gz IVUDEPAIFXDHMO-VDTYLAMSSA-N 1 0 200.311 1.384 10 0 BDAERO C[NH+](C)CCC(=O)Nc1ccc(Cl)nn1 ZINC000306881194 351278915 /nfs/dbraw/zinc/27/89/15/351278915.db2.gz LRPGUMFTUKEWAF-UHFFFAOYSA-N 1 0 228.683 1.020 10 0 BDAERO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000306953423 351380313 /nfs/dbraw/zinc/38/03/13/351380313.db2.gz MOCSNWHNBOTWAZ-JXUBOQSCSA-N 1 0 201.335 1.383 10 0 BDAERO CN(C)Nc1cc(N)[nH+]cc1Br ZINC000306968505 351387352 /nfs/dbraw/zinc/38/73/52/351387352.db2.gz HTALQBLDFOBBFQ-UHFFFAOYSA-N 1 0 231.097 1.315 10 0 BDAERO C[C@H]1[C@@H]([NH+](C)C)CCN1c1nsnc1Cl ZINC000306970835 351393518 /nfs/dbraw/zinc/39/35/18/351393518.db2.gz JNJHVPIPDUVFPJ-BQBZGAKWSA-N 1 0 246.767 1.720 10 0 BDAERO [NH3+][C@H]1C[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000306974185 351395577 /nfs/dbraw/zinc/39/55/77/351395577.db2.gz LYKKEEQATWAHDO-STQMWFEESA-N 1 0 213.284 1.746 10 0 BDAERO O[C@@]1(c2ccsc2Cl)CCC[NH2+]C1 ZINC000306975820 351396336 /nfs/dbraw/zinc/39/63/36/351396336.db2.gz ABPLUEWNZSUMPH-VIFPVBQESA-N 1 0 217.721 1.973 10 0 BDAERO O[C@@H](c1sccc1Cl)C1C[NH2+]C1 ZINC000306985532 351402266 /nfs/dbraw/zinc/40/22/66/351402266.db2.gz WKWWKKVFVSYEQT-SSDOTTSWSA-N 1 0 203.694 1.654 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CSCCN2)C1 ZINC000129365061 351346405 /nfs/dbraw/zinc/34/64/05/351346405.db2.gz XMVATCYKQJRGSV-GMTAPVOTSA-N 1 0 214.378 1.470 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000034936746 351350026 /nfs/dbraw/zinc/35/00/26/351350026.db2.gz VXGLTGKYJXPUQA-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO [NH3+][C@H](CNc1ccc(Cl)nn1)C1CC1 ZINC000168242675 351351122 /nfs/dbraw/zinc/35/11/22/351351122.db2.gz ATDTUXCENQPGAM-SSDOTTSWSA-N 1 0 212.684 1.279 10 0 BDAERO CCOCCC[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000034936836 351351271 /nfs/dbraw/zinc/35/12/71/351351271.db2.gz MTNRXTRQELOZNM-LLVKDONJSA-N 1 0 228.336 1.014 10 0 BDAERO C[N@@H+]1CC[C@@H](NC(=[NH2+])NCc2ccccc2)C1 ZINC000306987229 351403655 /nfs/dbraw/zinc/40/36/55/351403655.db2.gz PZHCPQGSCOFWCD-GFCCVEGCSA-N 1 0 232.331 1.005 10 0 BDAERO O=C(C[NH2+][C@H]1CCc2c1cccc2O)NC1CC1 ZINC000036852813 358463410 /nfs/dbraw/zinc/46/34/10/358463410.db2.gz DIFBNHNCEQQNAH-LBPRGKRZSA-N 1 0 246.310 1.248 10 0 BDAERO Cn1cc([C@@H]([NH3+])Cc2cccc(F)c2)cn1 ZINC000034957637 351362649 /nfs/dbraw/zinc/36/26/49/351362649.db2.gz PSYLVIVXRJHYHC-LBPRGKRZSA-N 1 0 219.263 1.802 10 0 BDAERO Cn1cc([C@@H]([NH3+])c2ccc3c(c2)OCO3)cn1 ZINC000034957693 351362761 /nfs/dbraw/zinc/36/27/61/351362761.db2.gz KDLGOVSYMRFLIL-LBPRGKRZSA-N 1 0 231.255 1.197 10 0 BDAERO C[C@@H]1CC[C@@H](CN=S(C)(C)=O)C[NH2+]1 ZINC000306987591 351404378 /nfs/dbraw/zinc/40/43/78/351404378.db2.gz QGAKPRRASORYOM-RKDXNWHRSA-N 1 0 204.339 1.102 10 0 BDAERO [NH3+]Cc1cc(N2CCC2)ncc1Br ZINC000307044241 351444525 /nfs/dbraw/zinc/44/45/25/351444525.db2.gz NTKSAROTESBABZ-UHFFFAOYSA-N 1 0 242.120 1.513 10 0 BDAERO CC[C@@H]1[C@@H](C2CCC2)[NH2+]CC[S@@]1=O ZINC000307051943 351454142 /nfs/dbraw/zinc/45/41/42/351454142.db2.gz TTXLUXNRSWTFIB-BREBYQMCSA-N 1 0 201.335 1.286 10 0 BDAERO CC(C)[S@](=O)N1CCC[C@@H](C)[C@H]1[NH3+] ZINC000307060794 351459265 /nfs/dbraw/zinc/45/92/65/351459265.db2.gz DUQCSCVMMJMZTC-ZDMBXUJBSA-N 1 0 204.339 1.075 10 0 BDAERO C[C@H]([NH3+])C(=O)Nc1ccsc1Cl ZINC000307070391 351463871 /nfs/dbraw/zinc/46/38/71/351463871.db2.gz FDSTUQWNSHRLAT-BYPYZUCNSA-N 1 0 204.682 1.687 10 0 BDAERO CC[S@@](C)(=O)=NC[C@H]1CCC[NH2+]C1 ZINC000307013489 351418382 /nfs/dbraw/zinc/41/83/82/351418382.db2.gz NVIXYFWEWZZSHD-TVQRCGJNSA-N 1 0 204.339 1.104 10 0 BDAERO C[C@]1([C@H](O)[C@@H]2CCC[NH2+]2)CCCS1 ZINC000307012877 351420192 /nfs/dbraw/zinc/42/01/92/351420192.db2.gz NAJQFXDHFZRGOE-IVZWLZJFSA-N 1 0 201.335 1.385 10 0 BDAERO C[C@@H]([NH3+])c1cnc(CN2CCCC2)s1 ZINC000307144285 351502182 /nfs/dbraw/zinc/50/21/82/351502182.db2.gz HZURYYKKOWDSDT-MRVPVSSYSA-N 1 0 211.334 1.759 10 0 BDAERO CS[C@H]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000300855043 363068996 /nfs/dbraw/zinc/06/89/96/363068996.db2.gz OGWSWHZPYNYTBC-BDAKNGLRSA-N 1 0 216.350 1.078 10 0 BDAERO Clc1nccc(OC[C@@H]2CC[NH2+]C2)n1 ZINC000095070339 180602437 /nfs/dbraw/zinc/60/24/37/180602437.db2.gz FUQZLNAZTAVCNF-SSDOTTSWSA-N 1 0 213.668 1.118 10 0 BDAERO Clc1nccnc1N[C@@H]1CCC[NH2+]C1 ZINC000073737310 180603144 /nfs/dbraw/zinc/60/31/44/180603144.db2.gz ZEAUGERTQPJQOX-SSDOTTSWSA-N 1 0 212.684 1.294 10 0 BDAERO Cc1ccc(COC2CC(C[NH3+])(CO)C2)cc1 ZINC000606302167 351555630 /nfs/dbraw/zinc/55/56/30/351555630.db2.gz FRHDCPQKWPBESA-UHFFFAOYSA-N 1 0 235.327 1.611 10 0 BDAERO C[C@@H]1CCN[C@](C)([C@H]2CCC[NH2+]2)S1 ZINC000307225307 351657135 /nfs/dbraw/zinc/65/71/35/351657135.db2.gz UKUOQYMAVWLRIX-BBBLOLIVSA-N 1 0 200.351 1.570 10 0 BDAERO COC(=O)[C@@](C)([NH3+])[C@H]1CC2CCC1CC2 ZINC000307230525 351680815 /nfs/dbraw/zinc/68/08/15/351680815.db2.gz BCUKCAADHUGDFZ-GZJRGEOXSA-N 1 0 211.305 1.703 10 0 BDAERO Cn1cc(-c2cc(C[NH3+])ccc2F)cn1 ZINC000038073079 180627279 /nfs/dbraw/zinc/62/72/79/180627279.db2.gz MCSAIHRCIZVDFY-UHFFFAOYSA-N 1 0 205.236 1.685 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000307232130 351688161 /nfs/dbraw/zinc/68/81/61/351688161.db2.gz BWNQJTHHKZXSEQ-NXEZZACHSA-N 1 0 244.294 1.410 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC000637848578 351706073 /nfs/dbraw/zinc/70/60/73/351706073.db2.gz CJJGRFQJWCYDCA-QJPTWQEYSA-N 1 0 236.359 1.810 10 0 BDAERO C[NH2+]C(C)(C)[C@H](O)c1csc(C)n1 ZINC000307254122 351788511 /nfs/dbraw/zinc/78/85/11/351788511.db2.gz WYEOVLJOMFRJSE-MRVPVSSYSA-N 1 0 200.307 1.483 10 0 BDAERO C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1cccs1 ZINC000637887421 351754736 /nfs/dbraw/zinc/75/47/36/351754736.db2.gz ZEGCYLJVSFKJOU-OYNCUSHFSA-N 1 0 240.328 1.042 10 0 BDAERO C[C@@H](C[NH3+])CNc1c(F)cccc1F ZINC000307285912 351851715 /nfs/dbraw/zinc/85/17/15/351851715.db2.gz PSGNZNHWTVXSGI-ZETCQYMHSA-N 1 0 200.232 1.972 10 0 BDAERO CC(C)[C@@H]1CN(C/C=C\Cl)CC[NH2+]1 ZINC000393323374 351840639 /nfs/dbraw/zinc/84/06/39/351840639.db2.gz RLROAKACZQCYLS-XOULXFPDSA-N 1 0 202.729 1.669 10 0 BDAERO CO[C@@]1(C[N@@H+]2CCC[C@H]2CCCO)CCOC1 ZINC000637996227 351871196 /nfs/dbraw/zinc/87/11/96/351871196.db2.gz MXYDRSAURDNLPE-QWHCGFSZSA-N 1 0 243.347 1.029 10 0 BDAERO [NH3+]C/C=C/C(=O)Nc1ccsc1Cl ZINC000307306187 351932345 /nfs/dbraw/zinc/93/23/45/351932345.db2.gz CSDYCPXPPMJFSF-OWOJBTEDSA-N 1 0 216.693 1.855 10 0 BDAERO C[C@@H](O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000041252131 538101710 /nfs/dbraw/zinc/10/17/10/538101710.db2.gz RTRKBXOMILNDHA-MUWHJKNJSA-N 1 0 230.105 1.830 10 0 BDAERO CCCCCCN(CCO)C(=O)[C@@H]([NH3+])CCC ZINC000037821428 168659927 /nfs/dbraw/zinc/65/99/27/168659927.db2.gz XIKBBANGWAHPKC-LBPRGKRZSA-N 1 0 244.379 1.515 10 0 BDAERO CC(C)CNC(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000725269527 538101755 /nfs/dbraw/zinc/10/17/55/538101755.db2.gz NBUFDCNQXPMWMF-LLVKDONJSA-N 1 0 227.352 1.555 10 0 BDAERO c1cnc(S[C@@H]2CCC[NH2+]CC2)nc1 ZINC000300884028 363100085 /nfs/dbraw/zinc/10/00/85/363100085.db2.gz STCRQKXLZYXTMA-SECBINFHSA-N 1 0 209.318 1.711 10 0 BDAERO Brc1csc(NCC2C[NH2+]C2)n1 ZINC000307328659 352029169 /nfs/dbraw/zinc/02/91/69/352029169.db2.gz WBRYQXBASIPKNG-UHFFFAOYSA-N 1 0 248.149 1.537 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CCCC12CC2 ZINC000638164375 352032046 /nfs/dbraw/zinc/03/20/46/352032046.db2.gz HKTYKVCHUAZVNM-WDEREUQCSA-N 1 0 222.332 1.292 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3CCC=CCC3)C[C@@H]12 ZINC000638169715 352033760 /nfs/dbraw/zinc/03/37/60/352033760.db2.gz YJWQRSRGOVWZSC-BFHYXJOUSA-N 1 0 248.370 1.929 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)C2=CC[C@H]([NH3+])C2)o1 ZINC000638281383 352118051 /nfs/dbraw/zinc/11/80/51/352118051.db2.gz RTOHDBHHPGPYCL-WPRPVWTQSA-N 1 0 235.287 1.208 10 0 BDAERO C[C@]1(CN=S(C)(C)=O)CCC[C@H]1[NH3+] ZINC000307340294 352079109 /nfs/dbraw/zinc/07/91/09/352079109.db2.gz YBKNWHNEWXBUGF-RKDXNWHRSA-N 1 0 204.339 1.232 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC12CC2 ZINC000638221242 352080298 /nfs/dbraw/zinc/08/02/98/352080298.db2.gz FVRVXBHFIBZTOE-ZJUUUORDSA-N 1 0 210.321 1.291 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)C[C@H](C)C(F)(F)F ZINC000638220710 352080332 /nfs/dbraw/zinc/08/03/32/352080332.db2.gz CJKWHTQKDRYINX-BQBZGAKWSA-N 1 0 226.242 1.299 10 0 BDAERO C[C@@H](CC(=O)N1CC[C@@H]([NH3+])[C@H]1C)C(F)(F)F ZINC000638233336 352087470 /nfs/dbraw/zinc/08/74/70/352087470.db2.gz FPXNVWLTCRATRY-XLPZGREQSA-N 1 0 238.253 1.523 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncnc2[nH]ccc21 ZINC000420205629 192174469 /nfs/dbraw/zinc/17/44/69/192174469.db2.gz RVXLSEYVHXEWKE-WPRPVWTQSA-N 1 0 231.303 1.497 10 0 BDAERO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000138685592 191151861 /nfs/dbraw/zinc/15/18/61/191151861.db2.gz IQPSDCIKWXSCNQ-WOPDTQHZSA-N 1 0 223.320 1.022 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC=CCC2)C[C@@H]1[NH3+] ZINC000638332335 352154631 /nfs/dbraw/zinc/15/46/31/352154631.db2.gz NXPJPKSLPDEMRR-PWSUYJOCSA-N 1 0 222.332 1.538 10 0 BDAERO Cc1cocc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000638399294 352204288 /nfs/dbraw/zinc/20/42/88/352204288.db2.gz VULUOBKHNXRIQF-SSDOTTSWSA-N 1 0 236.193 1.207 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037362367 363155046 /nfs/dbraw/zinc/15/50/46/363155046.db2.gz AENGTYPAYPZGMS-JTQLQIEISA-N 1 0 221.256 1.184 10 0 BDAERO CCC[C@H](CNC(=O)[C@H]([NH3+])CC(C)C)OCC ZINC000638458009 352269039 /nfs/dbraw/zinc/26/90/39/352269039.db2.gz QLTJFTYYGDRHGT-VXGBXAGGSA-N 1 0 244.379 1.681 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@H](CCC)OCC ZINC000638459352 352270517 /nfs/dbraw/zinc/27/05/17/352270517.db2.gz XTQQDZKRARRPKB-QWRGUYRKSA-N 1 0 230.352 1.435 10 0 BDAERO CCC[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)OCC ZINC000638459017 352270927 /nfs/dbraw/zinc/27/09/27/352270927.db2.gz WNWWEKZAXDEVDY-GRYCIOLGSA-N 1 0 242.363 1.163 10 0 BDAERO CC(C)[C@@H](C)C(=O)Nc1cccc(C[NH3+])n1 ZINC000725270605 538102621 /nfs/dbraw/zinc/10/26/21/538102621.db2.gz NLBNUULCAURDSA-SECBINFHSA-N 1 0 221.304 1.771 10 0 BDAERO CC[N@@H+](Cc1cccs1)C[C@H]1CNC(=O)O1 ZINC000291721961 352287574 /nfs/dbraw/zinc/28/75/74/352287574.db2.gz WUNMJFWZKPFTJH-SECBINFHSA-N 1 0 240.328 1.678 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1CC=CC1 ZINC000638492118 352301916 /nfs/dbraw/zinc/30/19/16/352301916.db2.gz SIVGSMJMJGSAOY-VXGBXAGGSA-N 1 0 222.332 1.444 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC1CC=CC1 ZINC000638493798 352311367 /nfs/dbraw/zinc/31/13/67/352311367.db2.gz LTOLEVMXFUCGLD-LLVKDONJSA-N 1 0 210.321 1.442 10 0 BDAERO C[C@@H]([N@@H+]1CCS[C@H](C)C1)C(C)(C)O ZINC000307355507 352323150 /nfs/dbraw/zinc/32/31/50/352323150.db2.gz UIXXHJBZKOZJBC-RKDXNWHRSA-N 1 0 203.351 1.583 10 0 BDAERO CCNC(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725271441 538103019 /nfs/dbraw/zinc/10/30/19/538103019.db2.gz NCMMWBGEEIVEOX-JTQLQIEISA-N 1 0 219.288 1.774 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CC=CCC1 ZINC000638598043 352430644 /nfs/dbraw/zinc/43/06/44/352430644.db2.gz CTKDZHFPAFBVRV-JHJVBQTASA-N 1 0 236.359 1.705 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC=CCC1 ZINC000638601319 352436004 /nfs/dbraw/zinc/43/60/04/352436004.db2.gz PMCMASKRYHINIP-VXGBXAGGSA-N 1 0 224.348 1.976 10 0 BDAERO O=C(NCC[C@@H]1CC=CCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638600515 352436558 /nfs/dbraw/zinc/43/65/58/352436558.db2.gz IZKGQNLNOGTPLT-GRYCIOLGSA-N 1 0 240.322 1.549 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(Br)cn1 ZINC000307371245 352471303 /nfs/dbraw/zinc/47/13/03/352471303.db2.gz PRZFBPFDABAIKZ-RNFRBKRXSA-N 1 0 244.136 1.992 10 0 BDAERO COCC[NH2+]CC12CCC(C)(CC1)OC2 ZINC000725272526 538104290 /nfs/dbraw/zinc/10/42/90/538104290.db2.gz OKWUPTULAGTAAZ-UHFFFAOYSA-N 1 0 213.321 1.572 10 0 BDAERO C[NH2+][C@@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC000307384915 352511753 /nfs/dbraw/zinc/51/17/53/352511753.db2.gz JCUFOWKZBITSLQ-MRVPVSSYSA-N 1 0 200.257 1.070 10 0 BDAERO Brc1cccnc1C=C1C[NH2+]C1 ZINC000307412338 352589697 /nfs/dbraw/zinc/58/96/97/352589697.db2.gz QTTCKGDUEXSMFE-UHFFFAOYSA-N 1 0 225.089 1.831 10 0 BDAERO O=[S@](C1CCCC1)C1CC[NH2+]CC1 ZINC000307452578 352606479 /nfs/dbraw/zinc/60/64/79/352606479.db2.gz WKIMPAWYIHNLQK-CYBMUJFWSA-N 1 0 201.335 1.430 10 0 BDAERO F[C@]1(Cc2cnsn2)CCC[NH2+]C1 ZINC000307454355 352609108 /nfs/dbraw/zinc/60/91/08/352609108.db2.gz XEASZGQLAJZQLM-QMMMGPOBSA-N 1 0 201.270 1.172 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1 ZINC000232307295 352611885 /nfs/dbraw/zinc/61/18/85/352611885.db2.gz GELYMCHDIRRXPT-YPMHNXCESA-N 1 0 247.342 1.708 10 0 BDAERO CC[S@](C)(=O)=NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000307465833 352615525 /nfs/dbraw/zinc/61/55/25/352615525.db2.gz JQLGHWBHUGWYJQ-ZDMBXUJBSA-N 1 0 204.339 1.232 10 0 BDAERO CCN(C1C[NH2+]C1)[C@@H]1CCS[C@H]1C ZINC000300352573 352559586 /nfs/dbraw/zinc/55/95/86/352559586.db2.gz NANNULCTPMPNDW-WCBMZHEXSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1nnc(OC[C@@]2(C)CC[NH2+]C2)s1 ZINC000307400114 352572640 /nfs/dbraw/zinc/57/26/40/352572640.db2.gz YYSSJMNIRDKGFE-VIFPVBQESA-N 1 0 213.306 1.225 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NC1(C(F)F)CC1 ZINC000638726601 352584583 /nfs/dbraw/zinc/58/45/83/352584583.db2.gz UWKZSCHWHFFSAS-MRVPVSSYSA-N 1 0 232.274 1.433 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1(C(F)F)CC1 ZINC000638726579 352584697 /nfs/dbraw/zinc/58/46/97/352584697.db2.gz UBEIOLIUDGJRPE-YUMQZZPRSA-N 1 0 232.274 1.288 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1(C(F)F)CC1 ZINC000638726576 352584770 /nfs/dbraw/zinc/58/47/70/352584770.db2.gz UBEIOLIUDGJRPE-HTQZYQBOSA-N 1 0 232.274 1.288 10 0 BDAERO C[C@H]1CN(C)CCN1C(=[NH2+])NCc1ccccc1 ZINC000307535063 352639908 /nfs/dbraw/zinc/63/99/08/352639908.db2.gz BJOBAGPPGMBEES-LBPRGKRZSA-N 1 0 246.358 1.347 10 0 BDAERO CC1(C)[NH2+]CC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000307545939 352646600 /nfs/dbraw/zinc/64/66/00/352646600.db2.gz LAKOBTZBIFLFMX-LLVKDONJSA-N 1 0 244.294 1.423 10 0 BDAERO C[C@H]1CC[C@H](CNC2=[NH+]CCS2)O1 ZINC000307565307 352653136 /nfs/dbraw/zinc/65/31/36/352653136.db2.gz FFPYGFQBQPLWBC-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCCC3(CC3)CC2)C1 ZINC000638755676 352689678 /nfs/dbraw/zinc/68/96/78/352689678.db2.gz DLDXFZMEOFQTME-RYUDHWBXSA-N 1 0 236.359 1.907 10 0 BDAERO C[C@@]1(O)CCC[C@H]1[N@@H+]1CCCSCC1 ZINC000307631130 352722227 /nfs/dbraw/zinc/72/22/27/352722227.db2.gz ZEUPQLBNIMTZFR-GHMZBOCLSA-N 1 0 215.362 1.729 10 0 BDAERO Cn1nc(C2CC2)c2cc(CC[NH3+])cnc21 ZINC000020314787 180803111 /nfs/dbraw/zinc/80/31/11/180803111.db2.gz TXKRRAZWGGKRLZ-UHFFFAOYSA-N 1 0 216.288 1.347 10 0 BDAERO CCS(=O)(=O)C/C=C1\CCC[C@@H]([NH3+])C1 ZINC000393655344 352836206 /nfs/dbraw/zinc/83/62/06/352836206.db2.gz HGJYNCLCFVGOAC-OLKPEBQYSA-N 1 0 217.334 1.249 10 0 BDAERO FC(F)c1ccc(OC2C[NH2+]C2)nc1 ZINC000307693054 352962155 /nfs/dbraw/zinc/96/21/55/352962155.db2.gz VDXFEDDESUVITF-UHFFFAOYSA-N 1 0 200.188 1.370 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1F ZINC000037764163 187941215 /nfs/dbraw/zinc/94/12/15/187941215.db2.gz HHXLQCOUSBSCED-SKDRFNHKSA-N 1 0 238.306 1.986 10 0 BDAERO c1ccc(CSC2=[NH+]CCCN2)nc1 ZINC000306534441 353022287 /nfs/dbraw/zinc/02/22/87/353022287.db2.gz DPURYXULXMZNMZ-UHFFFAOYSA-N 1 0 207.302 1.664 10 0 BDAERO CC(C)(C[NH3+])COc1ccc2c(c1)OCO2 ZINC000041242248 187945334 /nfs/dbraw/zinc/94/53/34/187945334.db2.gz NZJSUBFHMSFMPO-UHFFFAOYSA-N 1 0 223.272 1.779 10 0 BDAERO Cn1c(=O)cccc1[NH2+]Cc1ccccc1 ZINC000306634947 353030831 /nfs/dbraw/zinc/03/08/31/353030831.db2.gz XTOMRKRWXFNYHL-UHFFFAOYSA-N 1 0 214.268 1.997 10 0 BDAERO O=C(N[C@@H]1CCCC12CC2)[C@@H]1CC[NH2+]C1 ZINC000638831435 353011253 /nfs/dbraw/zinc/01/12/53/353011253.db2.gz LHDKPLUYXSJJFG-NXEZZACHSA-N 1 0 208.305 1.045 10 0 BDAERO COc1ccc([C@H]([C@H](C)[NH3+])n2ccnc2)cc1 ZINC000042962231 187948246 /nfs/dbraw/zinc/94/82/46/187948246.db2.gz NXUADRIVWJVLBY-GWCFXTLKSA-N 1 0 231.299 1.828 10 0 BDAERO C[C@H]1CN(C(=O)CCc2ccco2)C[C@H]1C[NH3+] ZINC000638906691 353068173 /nfs/dbraw/zinc/06/81/73/353068173.db2.gz XYJGNNZUACVRQI-WDEREUQCSA-N 1 0 236.315 1.265 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2ccco2)C[C@@H]1C[NH3+] ZINC000638906689 353068244 /nfs/dbraw/zinc/06/82/44/353068244.db2.gz XYJGNNZUACVRQI-MNOVXSKESA-N 1 0 236.315 1.265 10 0 BDAERO [NH3+]Cc1ccccc1Cn1nnc2ccccc21 ZINC000052576645 187953914 /nfs/dbraw/zinc/95/39/14/187953914.db2.gz OIWTXQPWIVFPTB-UHFFFAOYSA-N 1 0 238.294 1.938 10 0 BDAERO CCC(C)(C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638864788 353038695 /nfs/dbraw/zinc/03/86/95/353038695.db2.gz AEYRVQQVVCTIBL-VHSXEESVSA-N 1 0 230.327 1.629 10 0 BDAERO CC[C@@H]1CN(Cc2cccnc2)[C@H](C)C[NH2+]1 ZINC000071343485 187959393 /nfs/dbraw/zinc/95/93/93/187959393.db2.gz MVFOKZKCQGHYRS-DGCLKSJQSA-N 1 0 219.332 1.654 10 0 BDAERO Cn1ncc(Br)c1[C@@H]1CCC[NH2+]C1 ZINC000075869858 187962664 /nfs/dbraw/zinc/96/26/64/187962664.db2.gz MBWJUIFLRXTLIF-SSDOTTSWSA-N 1 0 244.136 1.650 10 0 BDAERO CCC[C@H](C)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638887927 353049316 /nfs/dbraw/zinc/04/93/16/353049316.db2.gz WQRWMPBRCSBIEL-HBNTYKKESA-N 1 0 212.337 1.476 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638887594 353049585 /nfs/dbraw/zinc/04/95/85/353049585.db2.gz WEISELTYAXRFRD-AAEUAGOBSA-N 1 0 232.327 1.662 10 0 BDAERO Cc1cccc(CC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638887607 353049633 /nfs/dbraw/zinc/04/96/33/353049633.db2.gz LLMLZCBVWQKECT-OCCSQVGLSA-N 1 0 246.354 1.591 10 0 BDAERO C[C@H]1CN(C(=O)c2ccsc2)C[C@H]1C[NH3+] ZINC000638887835 353049639 /nfs/dbraw/zinc/04/96/39/353049639.db2.gz PUVIEGIZIYUMNF-WCBMZHEXSA-N 1 0 224.329 1.415 10 0 BDAERO C[C@H]1SCCS[C@H]1C1=[NH+]CCN1 ZINC000307019601 353050086 /nfs/dbraw/zinc/05/00/86/353050086.db2.gz SDVAQIKUQKRBTN-RNFRBKRXSA-N 1 0 202.348 1.225 10 0 BDAERO CCc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000638884283 353051202 /nfs/dbraw/zinc/05/12/02/353051202.db2.gz GVIHGIFRRQQIHW-BXUZGUMPSA-N 1 0 246.354 1.916 10 0 BDAERO Cc1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638885301 353052718 /nfs/dbraw/zinc/05/27/18/353052718.db2.gz NLZZNJIQORSZGR-VXGBXAGGSA-N 1 0 232.327 1.662 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCCC2)C[C@@H]1C[NH3+] ZINC000638887180 353053795 /nfs/dbraw/zinc/05/37/95/353053795.db2.gz URKIBODFBCMDJK-KOLCDFICSA-N 1 0 210.321 1.230 10 0 BDAERO COc1cccc(NC(=O)C2(C[NH3+])CC2)c1 ZINC000077330478 187965955 /nfs/dbraw/zinc/96/59/55/187965955.db2.gz WEWWJZWTNHWNRF-UHFFFAOYSA-N 1 0 220.272 1.373 10 0 BDAERO CCCC[C@H](C)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638894094 353055261 /nfs/dbraw/zinc/05/52/61/353055261.db2.gz OUTNRORVZIGHPT-TUAOUCFPSA-N 1 0 226.364 1.866 10 0 BDAERO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCC2(C1)OCCO2 ZINC000307716371 353108109 /nfs/dbraw/zinc/10/81/09/353108109.db2.gz HULIOYUMUURYCQ-GARJFASQSA-N 1 0 243.372 1.766 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CCN1OCc1ccccc1 ZINC000307725320 353114100 /nfs/dbraw/zinc/11/41/00/353114100.db2.gz BRIHJMNUZQSSQC-DGCLKSJQSA-N 1 0 220.316 1.930 10 0 BDAERO CC(C)([NH3+])CNc1ncc(Cl)s1 ZINC000307463085 353078222 /nfs/dbraw/zinc/07/82/22/353078222.db2.gz GMYHUGUBJNNWEF-UHFFFAOYSA-N 1 0 205.714 1.946 10 0 BDAERO C[NH2+]Cc1ccc(-n2cccn2)cc1C ZINC000050585100 187983053 /nfs/dbraw/zinc/98/30/53/187983053.db2.gz JFSKWAXAWHGEEN-UHFFFAOYSA-N 1 0 201.273 1.900 10 0 BDAERO C1=[NH+]C[C@H](CC2Cc3ccccc3C2)N1 ZINC000003976001 187989462 /nfs/dbraw/zinc/98/94/62/187989462.db2.gz OOIBKWSVXJWTHR-ZDUSSCGKSA-N 1 0 200.285 1.792 10 0 BDAERO Cc1cc(Br)c(C)n1CC[NH3+] ZINC000082656206 188007157 /nfs/dbraw/zinc/00/71/57/188007157.db2.gz SIZKTPXBRWUUHS-UHFFFAOYSA-N 1 0 217.110 1.826 10 0 BDAERO CC1(C)SC[C@@H]1[NH2+]CC1CCOCC1 ZINC000307526458 188008854 /nfs/dbraw/zinc/00/88/54/188008854.db2.gz JWVHTKFVTMFDJG-JTQLQIEISA-N 1 0 215.362 1.897 10 0 BDAERO Cn1c(CC2=[NH+]CCN2)cc2ccccc21 ZINC000029340770 188010310 /nfs/dbraw/zinc/01/03/10/188010310.db2.gz VPNPXXVOJIPDIM-UHFFFAOYSA-N 1 0 213.284 1.723 10 0 BDAERO CC(C)(C)COC[C@@H](O)C[NH2+]C(C)(C)C ZINC000028756461 188010575 /nfs/dbraw/zinc/01/05/75/188010575.db2.gz NCGGOJYEEKAQDS-JTQLQIEISA-N 1 0 217.353 1.798 10 0 BDAERO C(c1noc(C2CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000060394282 188012424 /nfs/dbraw/zinc/01/24/24/188012424.db2.gz GRGOJLGWMXYOFU-QMMMGPOBSA-N 1 0 207.277 1.489 10 0 BDAERO C[C@H]1COCC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307749356 353126654 /nfs/dbraw/zinc/12/66/54/353126654.db2.gz GIQHJXMOQPJUEC-WCQYABFASA-N 1 0 247.342 1.726 10 0 BDAERO FC(F)(F)c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000096872746 188017525 /nfs/dbraw/zinc/01/75/25/188017525.db2.gz PBFJMDUEGCREBH-RXMQYKEDSA-N 1 0 221.182 1.555 10 0 BDAERO Cc1csc(C[C@H](O)C(C)(C)[NH3+])n1 ZINC000307757969 353130707 /nfs/dbraw/zinc/13/07/07/353130707.db2.gz MXRSKERSCIXGHX-ZETCQYMHSA-N 1 0 200.307 1.092 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2cc[nH]n2)C[C@@H](C)O1 ZINC000282376786 188032270 /nfs/dbraw/zinc/03/22/70/188032270.db2.gz XDRXYUQHHULINT-NXEZZACHSA-N 1 0 223.320 1.703 10 0 BDAERO C([C@H]1CCCSC1)N1CC[NH2+]CC1 ZINC000082382738 188004258 /nfs/dbraw/zinc/00/42/58/188004258.db2.gz JPBNUNVWEPWKGS-SNVBAGLBSA-N 1 0 200.351 1.035 10 0 BDAERO C(C[C@@H]1CC[NH2+]C1)c1nc([C@@H]2CCOC2)no1 ZINC000134616506 188049803 /nfs/dbraw/zinc/04/98/03/188049803.db2.gz TYDSKKSGSOFUJS-NXEZZACHSA-N 1 0 237.303 1.116 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)O1 ZINC000638949441 353153290 /nfs/dbraw/zinc/15/32/90/353153290.db2.gz ATGHRFGKOPSUIC-DDHJBXDOSA-N 1 0 240.347 1.188 10 0 BDAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)COC ZINC000034938786 168712802 /nfs/dbraw/zinc/71/28/02/168712802.db2.gz MCRYCPDROLBDSB-MNOVXSKESA-N 1 0 230.352 1.306 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000638976585 353181955 /nfs/dbraw/zinc/18/19/55/353181955.db2.gz AFPGOMDYVOQFBY-NHCYSSNCSA-N 1 0 210.321 1.563 10 0 BDAERO COCC1(C[NH2+]C2CCC2)CCOCC1 ZINC000309060613 538110180 /nfs/dbraw/zinc/11/01/80/538110180.db2.gz WJLZGXZDVARGEN-UHFFFAOYSA-N 1 0 213.321 1.572 10 0 BDAERO [NH3+]C1CCC(O[C@@H]2CCSC2)CC1 ZINC000405324866 353188861 /nfs/dbraw/zinc/18/88/61/353188861.db2.gz WOVJJNNXVCTLPJ-UDNWOFFPSA-N 1 0 201.335 1.778 10 0 BDAERO FC(F)C(F)(F)CSC1=[NH+]CCCN1 ZINC000072232840 180900172 /nfs/dbraw/zinc/90/01/72/180900172.db2.gz XUQSLSPLTTULJS-UHFFFAOYSA-N 1 0 230.230 1.969 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)cs1 ZINC000639000351 353248154 /nfs/dbraw/zinc/24/81/54/353248154.db2.gz QOHHSQBAZCLDJQ-VIFPVBQESA-N 1 0 224.329 1.995 10 0 BDAERO COCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128051195 353280123 /nfs/dbraw/zinc/28/01/23/353280123.db2.gz UJORCMRKYFIWNB-VXGBXAGGSA-N 1 0 223.320 1.603 10 0 BDAERO Cn1ncnc1S[C@H]1CCCC[C@@H]1[NH3+] ZINC000128090329 353282714 /nfs/dbraw/zinc/28/27/14/353282714.db2.gz MVXAGYDEXQPULH-YUMQZZPRSA-N 1 0 212.322 1.177 10 0 BDAERO Cc1ccsc1CC[C@@H]1COCC[NH2+]1 ZINC000129429744 353319359 /nfs/dbraw/zinc/31/93/59/353319359.db2.gz MSMJAIJBJYGLBI-SNVBAGLBSA-N 1 0 211.330 1.978 10 0 BDAERO Cn1nc(C2CC2)nc1[C@H]1CCCCC[NH2+]1 ZINC000080989974 538116459 /nfs/dbraw/zinc/11/64/59/538116459.db2.gz UHRVWONIFVCOOR-SNVBAGLBSA-N 1 0 220.320 1.897 10 0 BDAERO [NH3+]CC[C@@H](O)c1sncc1Br ZINC000217011170 538117716 /nfs/dbraw/zinc/11/77/16/538117716.db2.gz QYACOCGHVDQWTC-RXMQYKEDSA-N 1 0 237.122 1.288 10 0 BDAERO [NH3+]C[C@]1([C@H]2CCSC2)CCC[C@@H]1O ZINC000405464825 353497885 /nfs/dbraw/zinc/49/78/85/353497885.db2.gz JMPBHIRBNJODNZ-GUBZILKMSA-N 1 0 201.335 1.229 10 0 BDAERO CCN1CCC[C@H](C[NH2+]C)[C@H]1c1cnn(C)c1 ZINC000250216209 324199973 /nfs/dbraw/zinc/19/99/73/324199973.db2.gz DFUPEVKUTOENMN-YPMHNXCESA-N 1 0 236.363 1.413 10 0 BDAERO Fc1ccccc1C1CC([NH2+]Cc2nnc[nH]2)C1 ZINC000037919684 181010388 /nfs/dbraw/zinc/01/03/88/181010388.db2.gz VNNWZXDZASEPJG-UHFFFAOYSA-N 1 0 246.289 1.980 10 0 BDAERO Fc1cnc(OCCC2CC[NH2+]CC2)nc1 ZINC000095072039 181018095 /nfs/dbraw/zinc/01/80/95/181018095.db2.gz RKEOPUOWXYETJV-UHFFFAOYSA-N 1 0 225.267 1.384 10 0 BDAERO Cc1cccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000577946712 366124875 /nfs/dbraw/zinc/12/48/75/366124875.db2.gz FZONCHJMYRBGGE-STQMWFEESA-N 1 0 233.359 1.868 10 0 BDAERO C[C@H]1CN(Cc2ncccc2Cl)C[C@@H]1C[NH3+] ZINC000630078433 363279313 /nfs/dbraw/zinc/27/93/13/363279313.db2.gz UKPVXFWPXOJACA-UWVGGRQHSA-N 1 0 239.750 1.762 10 0 BDAERO C[C@@H]1CCN(C(=O)/C=C\c2ccccc2)C[C@H]1[NH3+] ZINC000252464025 363282308 /nfs/dbraw/zinc/28/23/08/363282308.db2.gz YMDMUDVCBYOZJT-GGJXWIKRSA-N 1 0 244.338 1.896 10 0 BDAERO C[C@@H]1CN(Cc2ccns2)C[C@@H]1C[NH3+] ZINC000630078806 363284049 /nfs/dbraw/zinc/28/40/49/363284049.db2.gz VRUQBEIOUIAJGQ-BDAKNGLRSA-N 1 0 211.334 1.170 10 0 BDAERO CC[C@@H]1CS[C@]2(CCOC[C@H]2C)[NH2+]1 ZINC000301022726 363334806 /nfs/dbraw/zinc/33/48/06/363334806.db2.gz NZIUHBTZNBGONM-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO COC(C)(C)[C@H](C)[N@@H+]1CCN[C@@H](C)C1 ZINC000301024878 363337378 /nfs/dbraw/zinc/33/73/78/363337378.db2.gz RJUSMLBEDJADJO-UWVGGRQHSA-N 1 0 200.326 1.094 10 0 BDAERO Cn1c(Cl)cnc1[C@@H](O)C(C)(C)C[NH3+] ZINC000301038021 363358509 /nfs/dbraw/zinc/35/85/09/363358509.db2.gz UZQHYMHLZJMEPQ-SSDOTTSWSA-N 1 0 217.700 1.092 10 0 BDAERO CCO[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113224466 354260327 /nfs/dbraw/zinc/26/03/27/354260327.db2.gz WHZNGZKMLKIIOH-QJPTWQEYSA-N 1 0 240.347 1.107 10 0 BDAERO COCCn1cccc1[C@@H]1CCC[NH2+]C1 ZINC000521401226 259455471 /nfs/dbraw/zinc/45/54/71/259455471.db2.gz VVHQLTTWXXPSDR-LLVKDONJSA-N 1 0 208.305 1.602 10 0 BDAERO Cc1cnccc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000334733661 354533756 /nfs/dbraw/zinc/53/37/56/354533756.db2.gz SUIHNEOEJBMTRB-GXFFZTMASA-N 1 0 220.316 1.593 10 0 BDAERO C[C@@H]1[C@H](NC2=[NH+]CCS2)CO[C@H]1C ZINC000405686672 354736336 /nfs/dbraw/zinc/73/63/36/354736336.db2.gz LXXXIUAZRQMVQY-BIIVOSGPSA-N 1 0 200.307 1.102 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Cc1ccccn1 ZINC000226487554 363415547 /nfs/dbraw/zinc/41/55/47/363415547.db2.gz TYKMDIMNEACBIK-QWRGUYRKSA-N 1 0 204.273 1.321 10 0 BDAERO CC[NH+]1CCC(N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502074 358492791 /nfs/dbraw/zinc/49/27/91/358492791.db2.gz LNYUDHTWTDOXCO-AWEZNQCLSA-N 1 0 239.407 1.545 10 0 BDAERO NC(=[NH2+])CCCn1cnc2ccccc21 ZINC000019505418 181186848 /nfs/dbraw/zinc/18/68/48/181186848.db2.gz CLHOUTOXBKKBOK-UHFFFAOYSA-N 1 0 202.261 1.752 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639268382 355328501 /nfs/dbraw/zinc/32/85/01/355328501.db2.gz ZUSCWSQHPIBTRH-YVECIDJPSA-N 1 0 208.349 1.716 10 0 BDAERO COc1ncccc1C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000394970406 355332722 /nfs/dbraw/zinc/33/27/22/355332722.db2.gz AKJHHJCIWMANGX-JQWIXIFHSA-N 1 0 236.315 1.435 10 0 BDAERO NC(=[NH2+])Cc1cc(F)c(F)c(F)c1F ZINC000075932138 181186196 /nfs/dbraw/zinc/18/61/96/181186196.db2.gz SZKOXTKMDPLBKY-UHFFFAOYSA-N 1 0 206.142 1.721 10 0 BDAERO [NH3+][C@H]1CCCO[C@H]1c1ncc(Cl)s1 ZINC000223334325 355370092 /nfs/dbraw/zinc/37/00/92/355370092.db2.gz YXGKBCFMQUGSLL-CAHLUQPWSA-N 1 0 218.709 1.975 10 0 BDAERO [NH3+][C@H]1CCO[C@H]1c1ncc(Cl)s1 ZINC000223333919 355370180 /nfs/dbraw/zinc/37/01/80/355370180.db2.gz BMAFJMLRUJSSMO-UJURSFKZSA-N 1 0 204.682 1.585 10 0 BDAERO NC(=[NH2+])c1ccc(-n2nnc3ccccc32)cc1 ZINC000034973571 181194017 /nfs/dbraw/zinc/19/40/17/181194017.db2.gz FZEQZWYCWZZQQD-UHFFFAOYSA-N 1 0 237.266 1.705 10 0 BDAERO CC(C)n1ccnc1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000335788330 355439456 /nfs/dbraw/zinc/43/94/56/355439456.db2.gz GVIBIGBJHIQNGP-RYUDHWBXSA-N 1 0 236.363 1.646 10 0 BDAERO NC(=[NH2+])c1c(F)cccc1OC[C@@H]1CCOC1 ZINC000049688800 181192823 /nfs/dbraw/zinc/19/28/23/181192823.db2.gz ANNUORQQEYNRQR-MRVPVSSYSA-N 1 0 238.262 1.525 10 0 BDAERO NC(=[NH2+])c1ccc(-c2ccc(O)cc2)o1 ZINC000255999364 181194397 /nfs/dbraw/zinc/19/43/97/181194397.db2.gz RKEXFUWGKDTEQM-UHFFFAOYSA-N 1 0 202.213 1.936 10 0 BDAERO C[C@H]1CCN[C@@]2(CCC[N@H+](C)C2)S1 ZINC000134357902 355502232 /nfs/dbraw/zinc/50/22/32/355502232.db2.gz GJEKISWXZYDEPI-UWVGGRQHSA-N 1 0 200.351 1.523 10 0 BDAERO NC(=[NH2+])c1ccc(N)cc1C(F)(F)F ZINC000050891499 181194823 /nfs/dbraw/zinc/19/48/23/181194823.db2.gz CABJWJAPACAWDT-UHFFFAOYSA-N 1 0 203.167 1.572 10 0 BDAERO CC(C)[C@@H]1C[N@H+](CC(C)(C)O)CCO1 ZINC000335814919 355503548 /nfs/dbraw/zinc/50/35/48/355503548.db2.gz XWIDZYQRELAEBS-JTQLQIEISA-N 1 0 201.310 1.114 10 0 BDAERO CC(C)[C@H]1C[N@H+](CC(C)(C)O)CCO1 ZINC000335814921 355503783 /nfs/dbraw/zinc/50/37/83/355503783.db2.gz XWIDZYQRELAEBS-SNVBAGLBSA-N 1 0 201.310 1.114 10 0 BDAERO NC(=[NH2+])c1ccc2[nH]nc(Br)c2c1 ZINC000076190946 181195195 /nfs/dbraw/zinc/19/51/95/181195195.db2.gz JDZHGHZJGIHIAD-UHFFFAOYSA-N 1 0 239.076 1.609 10 0 BDAERO NC(=[NH2+])c1cccc(Cn2ccnc2)c1 ZINC000019473772 181196400 /nfs/dbraw/zinc/19/64/00/181196400.db2.gz DDKWFOODEYUIQQ-UHFFFAOYSA-N 1 0 200.245 1.215 10 0 BDAERO NC(=[NH2+])c1ccnc(OCc2ccccc2)c1 ZINC000019480997 181198075 /nfs/dbraw/zinc/19/80/75/181198075.db2.gz HNFQXEZUPKZUIA-UHFFFAOYSA-N 1 0 227.267 1.945 10 0 BDAERO NC(=[NH2+])c1cccnc1N1CCCCCC1 ZINC000019479682 181196643 /nfs/dbraw/zinc/19/66/43/181196643.db2.gz ZRXOZCYEHCZQGU-UHFFFAOYSA-N 1 0 218.304 1.746 10 0 BDAERO NC(=[NH2+])c1cnc(-c2cccnc2)s1 ZINC000082415725 181196916 /nfs/dbraw/zinc/19/69/16/181196916.db2.gz MVTXCEYJBJOIPF-UHFFFAOYSA-N 1 0 204.258 1.489 10 0 BDAERO NC(=[NH2+])c1ccnc(OC[C@@H]2CCCCO2)c1 ZINC000019428616 181197165 /nfs/dbraw/zinc/19/71/65/181197165.db2.gz WJXPPNYMUTZNFB-JTQLQIEISA-N 1 0 235.287 1.314 10 0 BDAERO CC[C@H]1CCCCC[N@@H+]1CC(N)=S ZINC000134361920 355518118 /nfs/dbraw/zinc/51/81/18/355518118.db2.gz PXBVNQOHGAEHDE-VIFPVBQESA-N 1 0 200.351 1.927 10 0 BDAERO [NH2+]=C(N[C@@H]1C[C@H]2OCCC[C@H]12)NC1CCCC1 ZINC000190087627 181197518 /nfs/dbraw/zinc/19/75/18/181197518.db2.gz ZDCSKTCWWOIFEB-IJLUTSLNSA-N 1 0 237.347 1.610 10 0 BDAERO CNC(=[NH2+])N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000406013662 355611824 /nfs/dbraw/zinc/61/18/24/355611824.db2.gz VBBUABWSYSYABV-CQSZACIVSA-N 1 0 246.358 1.395 10 0 BDAERO C[C@@H](O)C[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000398673187 355646788 /nfs/dbraw/zinc/64/67/88/355646788.db2.gz IPYQUMYBGWQXMA-DDHJBXDOSA-N 1 0 215.337 1.287 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000389139832 355730656 /nfs/dbraw/zinc/73/06/56/355730656.db2.gz GUKJVMRTDQAHTR-QWRGUYRKSA-N 1 0 214.353 1.484 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2ccnn2CC)C1 ZINC000389139244 355730694 /nfs/dbraw/zinc/73/06/94/355730694.db2.gz GRAFRKAMUZQCBW-LLVKDONJSA-N 1 0 222.336 1.087 10 0 BDAERO CCn1cc([C@@H](C)[NH2+][C@@H]2CCN(CC)C2)cn1 ZINC000389148977 355731234 /nfs/dbraw/zinc/73/12/34/355731234.db2.gz IYYCBWKSHASQFR-DGCLKSJQSA-N 1 0 236.363 1.648 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000389142886 355731458 /nfs/dbraw/zinc/73/14/58/355731458.db2.gz HODAIQODDNGFDF-RDBSUJKOSA-N 1 0 240.391 1.874 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167383419 355986805 /nfs/dbraw/zinc/98/68/05/355986805.db2.gz XKRWBRLEQBZIEW-KOLCDFICSA-N 1 0 230.311 1.927 10 0 BDAERO CC(C)SCC[NH2+]CC1(O)CCOCC1 ZINC000389383199 355994553 /nfs/dbraw/zinc/99/45/53/355994553.db2.gz REGTYYWLGDVGHP-UHFFFAOYSA-N 1 0 233.377 1.259 10 0 BDAERO NC(=O)CCC[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038058278 181222240 /nfs/dbraw/zinc/22/22/40/181222240.db2.gz JZAIJODXBZCJIA-GFCCVEGCSA-N 1 0 248.326 1.667 10 0 BDAERO NC(=O)CCC[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038058279 181222646 /nfs/dbraw/zinc/22/26/46/181222646.db2.gz JZAIJODXBZCJIA-LBPRGKRZSA-N 1 0 248.326 1.667 10 0 BDAERO NC(=O)CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000060474003 181223022 /nfs/dbraw/zinc/22/30/22/181223022.db2.gz SAJJUYRTTQOCPJ-ZETCQYMHSA-N 1 0 224.226 1.136 10 0 BDAERO COCC[NH2+]CCNc1nc(C(C)C)ns1 ZINC000216432178 356061534 /nfs/dbraw/zinc/06/15/34/356061534.db2.gz RNKIPOBEUPAHCD-UHFFFAOYSA-N 1 0 244.364 1.309 10 0 BDAERO NC(=O)CCn1c(N)[nH+]c2cccc(Cl)c21 ZINC000036899849 181227757 /nfs/dbraw/zinc/22/77/57/181227757.db2.gz WIWXHGWMDUSQFM-UHFFFAOYSA-N 1 0 238.678 1.147 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000020578277 181242014 /nfs/dbraw/zinc/24/20/14/181242014.db2.gz IPCRPXPGFIBJDK-SSDOTTSWSA-N 1 0 233.098 1.869 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037423981 181244784 /nfs/dbraw/zinc/24/47/84/181244784.db2.gz YPNUFGGHEBENFM-QMMMGPOBSA-N 1 0 233.098 1.869 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000020578082 181244944 /nfs/dbraw/zinc/24/49/44/181244944.db2.gz YMZXNAGWZHBHHG-QMMMGPOBSA-N 1 0 232.205 1.581 10 0 BDAERO CC(C)C1([NH2+]CC[C@@H]2CCNC2=O)CC1 ZINC000379470722 358501076 /nfs/dbraw/zinc/50/10/76/358501076.db2.gz WUCGUEFRSBWHBK-JTQLQIEISA-N 1 0 210.321 1.291 10 0 BDAERO NC(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036263777 181261429 /nfs/dbraw/zinc/26/14/29/181261429.db2.gz FHEQZXXRRIAMML-VIFPVBQESA-N 1 0 211.309 1.110 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCC1)c1ccsc1 ZINC000037968691 181265161 /nfs/dbraw/zinc/26/51/61/181265161.db2.gz YCVIYPPEZYRAEW-JTQLQIEISA-N 1 0 224.329 1.807 10 0 BDAERO CC[NH2+][C@H](C)CNc1nc2ccccc2n1C ZINC000395709256 356380712 /nfs/dbraw/zinc/38/07/12/356380712.db2.gz FPOZEDSJQLZJSP-SNVBAGLBSA-N 1 0 232.331 1.405 10 0 BDAERO Cc1ccc(C(=O)[C@@](C)([NH3+])C2CC2)cn1 ZINC000168557238 356417951 /nfs/dbraw/zinc/41/79/51/356417951.db2.gz YZHKSXLVENZLFA-LBPRGKRZSA-N 1 0 204.273 1.700 10 0 BDAERO Cc1csc(CC(=O)C2([NH3+])CCCC2)n1 ZINC000168605410 356454610 /nfs/dbraw/zinc/45/46/10/356454610.db2.gz JVLFIKFFLJOTLE-UHFFFAOYSA-N 1 0 224.329 1.835 10 0 BDAERO CN(CCC[NH3+])c1ncncc1Br ZINC000085464915 356462348 /nfs/dbraw/zinc/46/23/48/356462348.db2.gz CVWSJVMWZNOQHC-UHFFFAOYSA-N 1 0 245.124 1.024 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCC1)C1CCCCC1 ZINC000037968741 181278926 /nfs/dbraw/zinc/27/89/26/181278926.db2.gz RJYIEXHMMKCYPZ-GFCCVEGCSA-N 1 0 224.348 1.953 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCCC1)c1cccc(O)c1 ZINC000037969757 181277764 /nfs/dbraw/zinc/27/77/64/181277764.db2.gz DMDRKKRFKKBMSP-CYBMUJFWSA-N 1 0 248.326 1.841 10 0 BDAERO NC(=O)[C@H]([NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000037942951 181277989 /nfs/dbraw/zinc/27/79/89/181277989.db2.gz WHRYSALWTBRSAJ-NWDGAFQWSA-N 1 0 240.347 1.189 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCC1)c1ccc(O)cc1 ZINC000037968925 181278374 /nfs/dbraw/zinc/27/83/74/181278374.db2.gz JAGHCBNCPDMHAL-GFCCVEGCSA-N 1 0 234.299 1.451 10 0 BDAERO NC(=O)[C@]1(Nc2ccccc2)C[NH+]2CCC1CC2 ZINC000037941971 181284410 /nfs/dbraw/zinc/28/44/10/181284410.db2.gz NRJMCGHXZIPCSJ-AWEZNQCLSA-N 1 0 245.326 1.048 10 0 BDAERO CC[C@H]1C[N@@H+](C2CCC2)C[C@@H]1N1CCOCC1 ZINC000336181996 134119770 /nfs/dbraw/zinc/11/97/70/134119770.db2.gz IKJNVNXUSOIICE-JSGCOSHPSA-N 1 0 238.375 1.582 10 0 BDAERO CCc1noc(C)c1C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000421031766 192309452 /nfs/dbraw/zinc/30/94/52/192309452.db2.gz YKWSXHIVFQPWMV-GXSJLCMTSA-N 1 0 238.331 1.891 10 0 BDAERO Cc1cocc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630089680 363488645 /nfs/dbraw/zinc/48/86/45/363488645.db2.gz GGJXKOBHZNAOGN-WPRPVWTQSA-N 1 0 222.288 1.255 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639669975 356583162 /nfs/dbraw/zinc/58/31/62/356583162.db2.gz FOQNQILGGACMNQ-UTUOFQBUSA-N 1 0 227.348 1.504 10 0 BDAERO CC(C)(C)OC(=O)NCCC1(CC[NH3+])N=N1 ZINC000675050380 538472198 /nfs/dbraw/zinc/47/21/98/538472198.db2.gz SEDVPYDASJIRQZ-UHFFFAOYSA-N 1 0 228.296 1.412 10 0 BDAERO CC(C)(C)O[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675050672 538472702 /nfs/dbraw/zinc/47/27/02/538472702.db2.gz HFWPJTIRIQFVTJ-VHSXEESVSA-N 1 0 213.321 1.698 10 0 BDAERO CC(C)C(=O)NC[C@@H]1[NH2+]CCOc2ccccc21 ZINC000675058032 538480541 /nfs/dbraw/zinc/48/05/41/538480541.db2.gz QDDHTXYYSZWHHP-LBPRGKRZSA-N 1 0 248.326 1.482 10 0 BDAERO CC(C)C[NH+](CC(C)C)[C@@H]1CNCC[C@H]1O ZINC000675058332 538481343 /nfs/dbraw/zinc/48/13/43/538481343.db2.gz ANCPKBYXVBQVOV-CHWSQXEVSA-N 1 0 228.380 1.323 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CC[NH2+][C@H]21 ZINC000675058435 538481432 /nfs/dbraw/zinc/48/14/32/538481432.db2.gz GEDZHUPGNTZCPE-OPRDCNLKSA-N 1 0 226.320 1.652 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@]1(C)CCCO1 ZINC000389414449 356649080 /nfs/dbraw/zinc/64/90/80/356649080.db2.gz SQWWDUSABYUREB-PWSUYJOCSA-N 1 0 215.337 1.552 10 0 BDAERO CCCc1noc([C@@H]2OCC[C@H]2C[NH3+])n1 ZINC000675058663 538482602 /nfs/dbraw/zinc/48/26/02/538482602.db2.gz RFPLSVGWWBXKIZ-IONNQARKSA-N 1 0 211.265 1.058 10 0 BDAERO C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](CO)O2)[C@@H]1C ZINC000675059068 538483508 /nfs/dbraw/zinc/48/35/08/538483508.db2.gz JDHNVPHAGVDVEE-FVCCEPFGSA-N 1 0 227.348 1.647 10 0 BDAERO COCC[NH2+]Cc1c(N)cc(Cl)cc1F ZINC000675051256 538473938 /nfs/dbraw/zinc/47/39/38/538473938.db2.gz NVPCKSXDXBUDDC-UHFFFAOYSA-N 1 0 232.686 1.797 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@H]1n1cc(C[NH3+])nn1 ZINC000675051614 538474787 /nfs/dbraw/zinc/47/47/87/538474787.db2.gz PNJKMGVFCNAYBK-PSASIEDQSA-N 1 0 208.309 1.734 10 0 BDAERO CC(C)(C)NC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056165 538477523 /nfs/dbraw/zinc/47/75/23/538477523.db2.gz KMLPUFFJJPSKAL-ZWNOBZJWSA-N 1 0 239.363 1.698 10 0 BDAERO CC(=O)N([C@@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675056455 538478274 /nfs/dbraw/zinc/47/82/74/538478274.db2.gz KIRLGCTZJAWSNH-QMMMGPOBSA-N 1 0 224.226 1.277 10 0 BDAERO CC(C)[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675056996 538478658 /nfs/dbraw/zinc/47/86/58/538478658.db2.gz ZRHNFFPXAZPLTQ-YRGRVCCFSA-N 1 0 238.375 1.927 10 0 BDAERO C[N@H+](C[C@@H]1CC[C@H](CO)O1)C1CCCCC1 ZINC000675059938 538485269 /nfs/dbraw/zinc/48/52/69/538485269.db2.gz YLTVPYKYGNEKKW-QWHCGFSZSA-N 1 0 227.348 1.791 10 0 BDAERO CCC[NH+](CCC)C[C@@H]1CC[C@H](CO)O1 ZINC000675060055 538486071 /nfs/dbraw/zinc/48/60/71/538486071.db2.gz ZWIOTIJPSGARNZ-NWDGAFQWSA-N 1 0 215.337 1.648 10 0 BDAERO CC(C)[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675068541 538497243 /nfs/dbraw/zinc/49/72/43/538497243.db2.gz BKONLXLOZPYGCG-JZRPKSSGSA-N 1 0 238.375 1.768 10 0 BDAERO CC[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC000070643146 325019991 /nfs/dbraw/zinc/01/99/91/325019991.db2.gz QPMCPNFGJNIWIX-DCAQKATOSA-N 1 0 212.337 1.631 10 0 BDAERO Cn1ncc(N)c1-c1ccc(C[NH3+])s1 ZINC000675070062 538499924 /nfs/dbraw/zinc/49/99/24/538499924.db2.gz KTTCXTOOKPLLMC-UHFFFAOYSA-N 1 0 208.290 1.190 10 0 BDAERO O=C(CC1CC1)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675070340 538501076 /nfs/dbraw/zinc/50/10/76/538501076.db2.gz OQJXDLZQGUDYBI-JQWIXIFHSA-N 1 0 208.305 1.045 10 0 BDAERO CCOc1cccc2c1OCC[NH2+][C@@H]2CO ZINC000675072644 538503480 /nfs/dbraw/zinc/50/34/80/538503480.db2.gz BNNJQQLXVNNUFC-SNVBAGLBSA-N 1 0 223.272 1.101 10 0 BDAERO CC1(C(=O)NC[C@@H]2C[C@@H]3C[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000675069038 538497644 /nfs/dbraw/zinc/49/76/44/538497644.db2.gz GALGUAPSSYCIFN-DBIOUOCHSA-N 1 0 222.332 1.276 10 0 BDAERO CC(C)CNC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675069106 538497720 /nfs/dbraw/zinc/49/77/20/538497720.db2.gz GKRLPWKWUHHKMY-ZYHUDNBSSA-N 1 0 225.336 1.165 10 0 BDAERO N[C@@H]1C=C(c2ccc(Cl)cc2)C[NH2+]C1 ZINC000675076648 538511736 /nfs/dbraw/zinc/51/17/36/538511736.db2.gz FMHQUNHIORPYCO-LLVKDONJSA-N 1 0 208.692 1.654 10 0 BDAERO CCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675069296 538498663 /nfs/dbraw/zinc/49/86/63/538498663.db2.gz GOQCSRGSQNPYHL-JZRPKSSGSA-N 1 0 238.375 1.912 10 0 BDAERO O[C@@H]1C=C(C[C@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675077445 538513409 /nfs/dbraw/zinc/51/34/09/538513409.db2.gz MRSANDBDJNJHAC-NXEZZACHSA-N 1 0 217.259 1.702 10 0 BDAERO O[C@H]1C=C(Cc2ccccc2F)C[NH2+]C1 ZINC000675077757 538514352 /nfs/dbraw/zinc/51/43/52/538514352.db2.gz RFPSHQPUNQFOFX-NSHDSACASA-N 1 0 207.248 1.259 10 0 BDAERO Cc1cc(F)cc(C2=C[C@@H](N)C[NH2+]C2)c1 ZINC000675077981 538515361 /nfs/dbraw/zinc/51/53/61/538515361.db2.gz LRNNVYMXTBOEFH-GFCCVEGCSA-N 1 0 206.264 1.448 10 0 BDAERO O[C@@H]1C=C(CC[C@H]2CCCCO2)C[NH2+]C1 ZINC000675077867 538515467 /nfs/dbraw/zinc/51/54/67/538515467.db2.gz SNAOARGDCYFSEE-VXGBXAGGSA-N 1 0 211.305 1.226 10 0 BDAERO O[C@@H]1C=C(c2occc2Br)C[NH2+]C1 ZINC000675078297 538515522 /nfs/dbraw/zinc/51/55/22/538515522.db2.gz WYCDYZHHMQFIOG-SSDOTTSWSA-N 1 0 244.088 1.390 10 0 BDAERO CC(C)(C)C(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675080201 538519308 /nfs/dbraw/zinc/51/93/08/538519308.db2.gz ONCYNICGLFUPJU-CABZTGNLSA-N 1 0 210.321 1.372 10 0 BDAERO CC1(C)CC2(CC(C)(C)[NH2+]1)OCC[C@@H]2O ZINC000675080880 538520221 /nfs/dbraw/zinc/52/02/21/538520221.db2.gz XHJAQWQDTXXMDU-VIFPVBQESA-N 1 0 213.321 1.447 10 0 BDAERO O[C@H]1C=C(c2ccc(Cl)cc2)C[NH2+]C1 ZINC000675077079 538512300 /nfs/dbraw/zinc/51/23/00/538512300.db2.gz JIBCEEBKQOBOCV-NSHDSACASA-N 1 0 209.676 1.688 10 0 BDAERO C[C@H]1C[C@H](C2=C[C@@H](N)C[NH2+]C2)C[C@@H](C)C1 ZINC000675077240 538512701 /nfs/dbraw/zinc/51/27/01/538512701.db2.gz BIKUCAGSYDWBIH-MPPDQPJWSA-N 1 0 208.349 1.916 10 0 BDAERO CC(C)C[NH2+]CCN1C[C@H]2CCC[C@@H]2C1 ZINC000126547386 538533741 /nfs/dbraw/zinc/53/37/41/538533741.db2.gz KSXYGKJTVDIEND-CHWSQXEVSA-N 1 0 210.365 1.964 10 0 BDAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cscn1 ZINC000127046215 538539163 /nfs/dbraw/zinc/53/91/63/538539163.db2.gz GJDYVOOIMCSFFD-DTWKUNHWSA-N 1 0 200.307 1.552 10 0 BDAERO c1nc2c([nH]1)[C@H](Cc1ccccc1)[NH2+]CC2 ZINC000083988949 538526309 /nfs/dbraw/zinc/52/63/09/538526309.db2.gz GZPVTNNLULMUAV-LBPRGKRZSA-N 1 0 213.284 1.839 10 0 BDAERO Cn1cnc2c1C1(CCCCC1)[NH2+]CC2 ZINC000084259024 538529407 /nfs/dbraw/zinc/52/94/07/538529407.db2.gz PDYBVDUFRPQJKL-UHFFFAOYSA-N 1 0 205.305 1.725 10 0 BDAERO CC(C)(C)OC(=O)[C@@H](C[NH3+])C1CCOCC1 ZINC000313209976 538577738 /nfs/dbraw/zinc/57/77/38/538577738.db2.gz MXGVEVVBSGUZSO-JTQLQIEISA-N 1 0 229.320 1.330 10 0 BDAERO C[C@H]1COC[C@@H](CC(=O)c2ccoc2)[NH2+]1 ZINC000130367370 538589442 /nfs/dbraw/zinc/58/94/42/538589442.db2.gz VKVOLYLDLZXEQC-WCBMZHEXSA-N 1 0 209.245 1.229 10 0 BDAERO Cc1ccsc1C[NH2+][C@@H](C(N)=O)C(C)C ZINC000223955135 538594062 /nfs/dbraw/zinc/59/40/62/538594062.db2.gz AWZYIWNALFDDJV-SNVBAGLBSA-N 1 0 226.345 1.656 10 0 BDAERO CCC[C@H](C[NH3+])[C@@H](O)[C@@H]1CCSC1 ZINC000224720371 538599245 /nfs/dbraw/zinc/59/92/45/538599245.db2.gz SWGWTTXAMIOMAI-OPRDCNLKSA-N 1 0 203.351 1.475 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)C2CC2)C1 ZINC000114940389 356942421 /nfs/dbraw/zinc/94/24/21/356942421.db2.gz AGWZXXRYWQZITK-JTQLQIEISA-N 1 0 225.336 1.275 10 0 BDAERO CN(C)C(=O)O[C@@H]1CCCCC[C@H]1[NH3+] ZINC000131752731 357064163 /nfs/dbraw/zinc/06/41/63/357064163.db2.gz VTCDIFWFCFEEFM-RKDXNWHRSA-N 1 0 200.282 1.345 10 0 BDAERO Fc1cccnc1NC[C@H]1C[NH2+]CCCO1 ZINC000389928958 357068458 /nfs/dbraw/zinc/06/84/58/357068458.db2.gz VMUZFXNMBPUOEL-SECBINFHSA-N 1 0 225.267 1.011 10 0 BDAERO c1cc2c(ccnc2NC[C@H]2C[NH2+]CCCO2)o1 ZINC000390270727 357088182 /nfs/dbraw/zinc/08/81/82/357088182.db2.gz YBFHUEIEFSCIFB-SNVBAGLBSA-N 1 0 247.298 1.618 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@](C)(O)COC ZINC000390454620 357093562 /nfs/dbraw/zinc/09/35/62/357093562.db2.gz CGGSVCPKGIGPIK-JHJVBQTASA-N 1 0 229.364 1.942 10 0 BDAERO CCC[C@H](N)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000390403484 357096900 /nfs/dbraw/zinc/09/69/00/357096900.db2.gz APDKBFLFJANYEC-SFYZADRCSA-N 1 0 212.297 1.020 10 0 BDAERO CC[C@H]1NCN(C[C@H]2CCCS2)C1=O ZINC000130003372 357137765 /nfs/dbraw/zinc/13/77/65/357137765.db2.gz MXMGWBOHLSRHFP-RKDXNWHRSA-N 1 0 214.334 1.050 10 0 BDAERO CCc1nnc(C[NH2+]C[C@H](O)C(C)(C)C)s1 ZINC000391994885 357137773 /nfs/dbraw/zinc/13/77/73/357137773.db2.gz LLVZGYGFWVRYKQ-QMMMGPOBSA-N 1 0 243.376 1.597 10 0 BDAERO CNC(=[NH2+])[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000300026570 357172348 /nfs/dbraw/zinc/17/23/48/357172348.db2.gz JPBWMXGVPNBZPY-QYNIQEEDSA-N 1 0 204.364 1.809 10 0 BDAERO CCc1ccsc1CNC1=[NH+]CCN1 ZINC000130017211 357149634 /nfs/dbraw/zinc/14/96/34/357149634.db2.gz QTJWSINGMFSNDD-UHFFFAOYSA-N 1 0 209.318 1.359 10 0 BDAERO CCc1nc(C)cc(N[C@@H](C)CCC[NH3+])n1 ZINC000304357856 357164240 /nfs/dbraw/zinc/16/42/40/357164240.db2.gz RPMQFUWRSDWDCE-VIFPVBQESA-N 1 0 222.336 1.887 10 0 BDAERO COC[C@@H](C)NC1=[NH+]CC(C)(C)CS1 ZINC000168723525 357198055 /nfs/dbraw/zinc/19/80/55/357198055.db2.gz BRFJRDPTNQXMJQ-MRVPVSSYSA-N 1 0 216.350 1.740 10 0 BDAERO C[C@@H](O)CC(C)(C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000393587429 357288346 /nfs/dbraw/zinc/28/83/46/357288346.db2.gz BJEIHZIGTDPFKB-GHMZBOCLSA-N 1 0 231.380 1.780 10 0 BDAERO C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000393580116 357288677 /nfs/dbraw/zinc/28/86/77/357288677.db2.gz GEPKTLRMHVUHNE-IJLUTSLNSA-N 1 0 229.364 1.677 10 0 BDAERO CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CO)CCO1 ZINC000393140391 357277623 /nfs/dbraw/zinc/27/76/23/357277623.db2.gz CAHGGTJIGZVNSE-IRCOFANPSA-N 1 0 213.321 1.160 10 0 BDAERO CC/C=C\C[NH2+]C[C@H](O)COCc1ccco1 ZINC000395100027 357411607 /nfs/dbraw/zinc/41/16/07/357411607.db2.gz CJAUFSRRARWTRL-MVZIDQBPSA-N 1 0 239.315 1.713 10 0 BDAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cn1 ZINC000158083187 538849234 /nfs/dbraw/zinc/84/92/34/538849234.db2.gz OAENZJPEDWEMIW-VXGBXAGGSA-N 1 0 236.315 1.483 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCC1(O)CCC1 ZINC000396884737 357486923 /nfs/dbraw/zinc/48/69/23/357486923.db2.gz UROSKPQMCUSAKY-SNVBAGLBSA-N 1 0 215.337 1.288 10 0 BDAERO O=C(NCCC1CCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188368607 357529088 /nfs/dbraw/zinc/52/90/88/357529088.db2.gz SJADYNJXCQRVMU-WDEREUQCSA-N 1 0 228.311 1.383 10 0 BDAERO COC1CC([NH2+][C@@H]2COc3ccccc32)C1 ZINC000230675234 357548395 /nfs/dbraw/zinc/54/83/95/357548395.db2.gz OAUUQUUFDFEMED-RTYFJBAXSA-N 1 0 219.284 1.887 10 0 BDAERO COc1c(C[NH2+]C2CC(OC)C2)c(C)nn1C ZINC000230688897 357550205 /nfs/dbraw/zinc/55/02/05/357550205.db2.gz ZVXQLOFPYFELHY-UHFFFAOYSA-N 1 0 239.319 1.004 10 0 BDAERO O=C(CC1CC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000231447367 357613885 /nfs/dbraw/zinc/61/38/85/357613885.db2.gz KSQDICMMVRMXPU-NSHDSACASA-N 1 0 222.332 1.530 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[NH2+]CC[C@@H]21 ZINC000263619827 538879235 /nfs/dbraw/zinc/87/92/35/538879235.db2.gz FIXKSCLVBGKPPJ-GARJFASQSA-N 1 0 240.347 1.899 10 0 BDAERO COC(=O)[C@@H](C)NC1CCC(C)(C[NH3+])CC1 ZINC000685946546 538885580 /nfs/dbraw/zinc/88/55/80/538885580.db2.gz SAPLWGASHAZRHK-GRZMOONWSA-N 1 0 228.336 1.045 10 0 BDAERO CC(C)CNC(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685946780 538886373 /nfs/dbraw/zinc/88/63/73/538886373.db2.gz NDTCMHDCJOYFIC-PWSUYJOCSA-N 1 0 225.336 1.084 10 0 BDAERO [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)CC1CC1 ZINC000685946698 538887211 /nfs/dbraw/zinc/88/72/11/538887211.db2.gz MJOVEHJEJRZFDI-JQWIXIFHSA-N 1 0 208.305 1.126 10 0 BDAERO CC(C)(C)C(=O)NC[C@]12CC[C@@H]1CC[NH2+]2 ZINC000685946027 538887612 /nfs/dbraw/zinc/88/76/12/538887612.db2.gz BWTVMUNMCYSYKK-BXKDBHETSA-N 1 0 210.321 1.291 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]CCC1(O)CCC1 ZINC000397717044 357653326 /nfs/dbraw/zinc/65/33/26/357653326.db2.gz SXFHCCKUAVQHEI-GFCCVEGCSA-N 1 0 245.363 1.059 10 0 BDAERO CC(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000685947805 538889478 /nfs/dbraw/zinc/88/94/78/538889478.db2.gz RCGVLXXTHPBDQW-AGIUHOORSA-N 1 0 222.332 1.387 10 0 BDAERO CC(C)CNC(=O)N1CCC[C@]1(C)C[NH3+] ZINC000685947731 538889522 /nfs/dbraw/zinc/88/95/22/538889522.db2.gz OOENBIQDZCDTQK-LLVKDONJSA-N 1 0 213.325 1.165 10 0 BDAERO CC1(NC(=O)C2CCC2)CCC([NH3+])CC1 ZINC000685948026 538889849 /nfs/dbraw/zinc/88/98/49/538889849.db2.gz XAHOWEIOZNXLBY-UHFFFAOYSA-N 1 0 210.321 1.563 10 0 BDAERO CC[C@]1(NC(=O)CC(C)C)CCC[NH2+]C1 ZINC000685948132 538890367 /nfs/dbraw/zinc/89/03/67/538890367.db2.gz YJBSIEUMMMTCMA-LBPRGKRZSA-N 1 0 212.337 1.681 10 0 BDAERO OC[C@@H]1CC[N@@H+]([C@@H]2CCOC23CCCC3)C1 ZINC000685948580 538890828 /nfs/dbraw/zinc/89/08/28/538890828.db2.gz CEGMFQVYFACXNO-VXGBXAGGSA-N 1 0 225.332 1.402 10 0 BDAERO C[C@H]1CN([C@@H]2CCOC23CCCC3)CC[NH2+]1 ZINC000685948779 538891564 /nfs/dbraw/zinc/89/15/64/538891564.db2.gz FSOUWRMEMOHLCA-NWDGAFQWSA-N 1 0 224.348 1.382 10 0 BDAERO CC(C)CC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949090 538892015 /nfs/dbraw/zinc/89/20/15/538892015.db2.gz KOMOMCIXVVZGDR-DGCLKSJQSA-N 1 0 224.348 1.823 10 0 BDAERO CCC[NH+](CCC)[C@H]1CCNC[C@H]1F ZINC000685948980 538892101 /nfs/dbraw/zinc/89/21/01/538892101.db2.gz ZCZXOBFBZPGXBK-MNOVXSKESA-N 1 0 202.317 1.808 10 0 BDAERO OC1CC[NH+]([C@@H]2CCOC23CCCC3)CC1 ZINC000685949339 538892403 /nfs/dbraw/zinc/89/24/03/538892403.db2.gz QCPNALQODQKGDQ-GFCCVEGCSA-N 1 0 225.332 1.545 10 0 BDAERO CCNC(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685949405 538892555 /nfs/dbraw/zinc/89/25/55/538892555.db2.gz RJUMMVYYLCDIJQ-KOLCDFICSA-N 1 0 211.309 1.062 10 0 BDAERO CC(C)C1CC([NH2+]C[C@@H]2CN(C)CCO2)C1 ZINC000232537584 357670338 /nfs/dbraw/zinc/67/03/38/357670338.db2.gz LMOAEWWFDNAJSB-WXRRBKDZSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCCO[C@H](C)C1 ZINC000685951791 538895458 /nfs/dbraw/zinc/89/54/58/538895458.db2.gz YPAMEBWHTJDONY-IJLUTSLNSA-N 1 0 226.364 1.341 10 0 BDAERO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CC(C)C)C1 ZINC000189347707 357633981 /nfs/dbraw/zinc/63/39/81/357633981.db2.gz FTHZLKAXZKACCH-WDEREUQCSA-N 1 0 239.319 1.796 10 0 BDAERO CC(C)N(C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190719036 357719430 /nfs/dbraw/zinc/71/94/30/357719430.db2.gz XOLLSMUWYZNBKQ-LLVKDONJSA-N 1 0 225.336 1.227 10 0 BDAERO CN1CCC[N@@H+]([C@H]2C=CCCC2)CC1=O ZINC000191108889 357750844 /nfs/dbraw/zinc/75/08/44/357750844.db2.gz JJKOWIANEANNNI-NSHDSACASA-N 1 0 208.305 1.259 10 0 BDAERO CC[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191351374 357766299 /nfs/dbraw/zinc/76/62/99/357766299.db2.gz NAUAKNYARZESJS-NWDGAFQWSA-N 1 0 224.348 1.729 10 0 BDAERO COC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000234834797 357833550 /nfs/dbraw/zinc/83/35/50/357833550.db2.gz YFFAHBUJTIMYNB-UTUOFQBUSA-N 1 0 229.364 1.798 10 0 BDAERO C[C@H]1CN(CCCc2ccccc2)C[C@@H]1[NH3+] ZINC000235683582 357927920 /nfs/dbraw/zinc/92/79/20/357927920.db2.gz RJURTHQTDCUNJU-JSGCOSHPSA-N 1 0 218.344 1.898 10 0 BDAERO Cc1cc(C[N@H+]2CC[C@@H](O)C[C@H]2C)on1 ZINC000639938912 357945749 /nfs/dbraw/zinc/94/57/49/357945749.db2.gz QHKORPJQEPGFBA-NXEZZACHSA-N 1 0 210.277 1.328 10 0 BDAERO CC[C@@H](C)N(C)CC[NH2+]CC(C)(C)O ZINC000219604472 358005152 /nfs/dbraw/zinc/00/51/52/358005152.db2.gz PUUOJODOEDLSHW-SNVBAGLBSA-N 1 0 202.342 1.077 10 0 BDAERO NC(=O)c1ccc(C[NH+]2CCCCC2)c(N)c1 ZINC000037272274 181294302 /nfs/dbraw/zinc/29/43/02/181294302.db2.gz BQFPADFFCAJAQC-UHFFFAOYSA-N 1 0 233.315 1.354 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(OC)c(O)c1 ZINC000037040842 358064430 /nfs/dbraw/zinc/06/44/30/358064430.db2.gz MHTHOIQYWZPSQH-SECBINFHSA-N 1 0 238.287 1.467 10 0 BDAERO C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)[C@@H]1CO ZINC000640058841 358147342 /nfs/dbraw/zinc/14/73/42/358147342.db2.gz LFNYBTIIULPUQN-XJFOESAGSA-N 1 0 241.375 1.630 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH3+])C2)O1 ZINC000222403965 358174315 /nfs/dbraw/zinc/17/43/15/358174315.db2.gz GGHUSGJILWNFDM-GRYCIOLGSA-N 1 0 240.347 1.141 10 0 BDAERO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(O)cc1 ZINC000039214290 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360533082 /nfs/dbraw/zinc/53/30/82/360533082.db2.gz YQVRBFFROYKGMP-LBPRGKRZSA-N 1 0 242.282 1.317 10 0 BDAERO CC[N@@H+]1CCC[C@H](N[C@H](C)c2ncc[nH]2)C1 ZINC000309482750 491149516 /nfs/dbraw/zinc/14/95/16/491149516.db2.gz UIGGEKLNCITUPO-MNOVXSKESA-N 1 0 222.336 1.545 10 0 BDAERO CSC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000300808430 360512994 /nfs/dbraw/zinc/51/29/94/360512994.db2.gz GTENDERFPAIJFE-VIFPVBQESA-N 1 0 200.351 1.176 10 0 BDAERO c1cc2ncc(C[NH2+]CC3CCC3)cn2n1 ZINC000381039925 360557986 /nfs/dbraw/zinc/55/79/86/360557986.db2.gz CAPNVGWZQYJDFG-UHFFFAOYSA-N 1 0 216.288 1.619 10 0 BDAERO Clc1ccc(NCC2=[NH+]CCN2)cc1 ZINC000138324461 360570280 /nfs/dbraw/zinc/57/02/80/360570280.db2.gz GVEGCDQUCJCZLJ-UHFFFAOYSA-N 1 0 209.680 1.754 10 0 BDAERO CC[C@H](O)C[N@H+](CCCOC)Cc1ccco1 ZINC000036096467 360597604 /nfs/dbraw/zinc/59/76/04/360597604.db2.gz LBAAUHNLYJRKPD-LBPRGKRZSA-N 1 0 241.331 1.889 10 0 BDAERO Cc1cc([C@@H]([NH3+])CC2OCCO2)sn1 ZINC000306609692 360597778 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QSRJACSREHMCNG-UHFFFAOYSA-N 1 0 213.712 1.845 10 0 BDAERO [NH3+]C1CCC(Nc2nc3cccnc3[nH]2)CC1 ZINC000095072129 181342801 /nfs/dbraw/zinc/34/28/01/181342801.db2.gz OAQJUUJUPMXEHK-UHFFFAOYSA-N 1 0 231.303 1.640 10 0 BDAERO [NH3+]C1CCC([S@@](=O)C2CCOCC2)CC1 ZINC000062055379 181342863 /nfs/dbraw/zinc/34/28/63/181342863.db2.gz NQDMSEJVHSCDIQ-HEEBCNDISA-N 1 0 231.361 1.184 10 0 BDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC000040750152 181344278 /nfs/dbraw/zinc/34/42/78/181344278.db2.gz VBXBCKGHOQHSCR-JKWSXGQESA-N 1 0 200.713 1.693 10 0 BDAERO [NH3+]C1CN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000104312703 181344424 /nfs/dbraw/zinc/34/44/24/181344424.db2.gz ANKJSRRWXNJUJZ-UHFFFAOYSA-N 1 0 244.216 1.489 10 0 BDAERO c1ccc(SC[C@@H]2C[NH2+]CCO2)cc1 ZINC000070649787 361695082 /nfs/dbraw/zinc/69/50/82/361695082.db2.gz BOQUBIQEFLRSNK-JTQLQIEISA-N 1 0 209.314 1.767 10 0 BDAERO [NH3+]C1CN(C(=O)c2cccc3cccnc32)C1 ZINC000104311206 181345038 /nfs/dbraw/zinc/34/50/38/181345038.db2.gz GPBPFFFFSVRATD-UHFFFAOYSA-N 1 0 227.267 1.018 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000328245841 363865569 /nfs/dbraw/zinc/86/55/69/363865569.db2.gz MTSOKCRNZRKLFG-NEPJUHHUSA-N 1 0 245.363 1.321 10 0 BDAERO CCOC(=O)c1ccc(N(CC)CC[NH3+])nc1 ZINC000122828384 363851734 /nfs/dbraw/zinc/85/17/34/363851734.db2.gz PBNJVVZFIYXMKC-UHFFFAOYSA-N 1 0 237.303 1.043 10 0 BDAERO C[C@H](C[NH+](C)C)Nc1nsnc1Cl ZINC000130662240 363899148 /nfs/dbraw/zinc/89/91/48/363899148.db2.gz NSKHPBBQGPFKGH-RXMQYKEDSA-N 1 0 220.729 1.554 10 0 BDAERO [NH3+]CC(=O)NCCCOc1ccc(Cl)cc1 ZINC000041287507 181352201 /nfs/dbraw/zinc/35/22/01/181352201.db2.gz JEXKEBWTCIYIAU-UHFFFAOYSA-N 1 0 242.706 1.184 10 0 BDAERO O=C1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)N1 ZINC000070206105 541309360 /nfs/dbraw/zinc/30/93/60/541309360.db2.gz DSENTRDJYZFDRK-LLVKDONJSA-N 1 0 238.718 1.708 10 0 BDAERO COc1cccc([C@H]2C[C@@H]([NH3+])CCN2C)c1 ZINC000074073397 541313167 /nfs/dbraw/zinc/31/31/67/541313167.db2.gz TVLSUIGXKZKJHQ-WCQYABFASA-N 1 0 220.316 1.789 10 0 BDAERO c1nc2c([nH]1)[C@]1(CC[C@H]3CCC[C@@H]31)[NH2+]CC2 ZINC000722063313 541316552 /nfs/dbraw/zinc/31/65/52/541316552.db2.gz OQUFTOCMNOKIOC-GBIKHYSHSA-N 1 0 217.316 1.961 10 0 BDAERO [NH3+]CC(=O)NCc1cc(Cl)ccc1F ZINC000082596376 181354126 /nfs/dbraw/zinc/35/41/26/181354126.db2.gz TXHAHVYADWAYFW-UHFFFAOYSA-N 1 0 216.643 1.054 10 0 BDAERO CO[C@@H]1CN(CCCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356825 364078090 /nfs/dbraw/zinc/07/80/90/364078090.db2.gz BASGBNWXVAHBDQ-STQMWFEESA-N 1 0 244.379 1.240 10 0 BDAERO CCCCCC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630363819 364079339 /nfs/dbraw/zinc/07/93/39/364079339.db2.gz RWRIZNRCQFPZTD-DGCLKSJQSA-N 1 0 242.363 1.531 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000630357663 364079738 /nfs/dbraw/zinc/07/97/38/364079738.db2.gz UNLVKPHWGFBNAN-AXFHLTTASA-N 1 0 240.347 1.058 10 0 BDAERO CC(C)(C)OC(=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000725241540 541329645 /nfs/dbraw/zinc/32/96/45/541329645.db2.gz HRDGNAMPBHNUBM-SECBINFHSA-N 1 0 227.304 1.097 10 0 BDAERO CCCCC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630365839 364083616 /nfs/dbraw/zinc/08/36/16/364083616.db2.gz ZANCXMLIVSEENG-CMPLNLGQSA-N 1 0 228.336 1.141 10 0 BDAERO CSc1ccnc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630387005 364100932 /nfs/dbraw/zinc/10/09/32/364100932.db2.gz DEIGIKMKWXTWKE-IUCAKERBSA-N 1 0 238.360 1.230 10 0 BDAERO [NH3+]CC1(C(=O)N2CCCCC2)CCCCC1 ZINC000044761610 181357255 /nfs/dbraw/zinc/35/72/55/181357255.db2.gz AHNQFNWJZPSLDY-UHFFFAOYSA-N 1 0 224.348 1.908 10 0 BDAERO CC(C)(C)NC(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000725264558 541337496 /nfs/dbraw/zinc/33/74/96/541337496.db2.gz WWILDLKOMMABIU-MFKMUULPSA-N 1 0 239.363 1.840 10 0 BDAERO [NH3+]CC1(C(=O)N2CCCC2)CCCCCC1 ZINC000044753602 181357636 /nfs/dbraw/zinc/35/76/36/181357636.db2.gz IJZDCNOZZLNUBM-UHFFFAOYSA-N 1 0 224.348 1.908 10 0 BDAERO COc1cccnc1NCC[C@@H]([NH3+])C(C)C ZINC000630519279 364202001 /nfs/dbraw/zinc/20/20/01/364202001.db2.gz PDUMRSSBDFRQKR-SNVBAGLBSA-N 1 0 223.320 1.876 10 0 BDAERO [NH3+]C1(CNc2ccc(F)cn2)CCOCC1 ZINC000630525980 364212234 /nfs/dbraw/zinc/21/22/34/364212234.db2.gz JDLQOMUVUTUAMQ-UHFFFAOYSA-N 1 0 225.267 1.141 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1N=c1[nH]c2ccccc2o1 ZINC000630528820 364216234 /nfs/dbraw/zinc/21/62/34/364216234.db2.gz NVCXKERBEVLLEJ-VHSXEESVSA-N 1 0 231.299 1.802 10 0 BDAERO C[C@@H]1CC[C@@H](N=c2[nH]c3ccccc3o2)C[NH2+]1 ZINC000630533024 364223166 /nfs/dbraw/zinc/22/31/66/364223166.db2.gz MRXQAMOJPVJVLX-NXEZZACHSA-N 1 0 231.299 1.802 10 0 BDAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(F)cn1)C2 ZINC000630538728 364234692 /nfs/dbraw/zinc/23/46/92/364234692.db2.gz OQXKZDMICKMFOI-BETUJISGSA-N 1 0 235.306 1.657 10 0 BDAERO Cc1nsc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630548619 364245309 /nfs/dbraw/zinc/24/53/09/364245309.db2.gz HEHGXDMOFMVUMM-SECBINFHSA-N 1 0 226.349 1.554 10 0 BDAERO C[C@H]1CN(c2nc(C3CC3)ns2)C[C@H]1C[NH3+] ZINC000630555101 364252933 /nfs/dbraw/zinc/25/29/33/364252933.db2.gz ZOUAFCHXFZIHBK-IONNQARKSA-N 1 0 238.360 1.447 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630554992 364253445 /nfs/dbraw/zinc/25/34/45/364253445.db2.gz XUAABQKMNLSTFY-ZYHUDNBSSA-N 1 0 248.374 1.939 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2nc3ccccc3[nH]2)CC1 ZINC000630557837 364255787 /nfs/dbraw/zinc/25/57/87/364255787.db2.gz TZLMTOWTQOCYAH-XYPYZODXSA-N 1 0 244.342 1.914 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC000630556829 364257329 /nfs/dbraw/zinc/25/73/29/364257329.db2.gz KSWYPLAWOSLDEO-MGCOHNPYSA-N 1 0 206.293 1.406 10 0 BDAERO Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)ncn1 ZINC000630556850 364257688 /nfs/dbraw/zinc/25/76/88/364257688.db2.gz LGXHSGWBSQNQMB-XYPYZODXSA-N 1 0 220.320 1.714 10 0 BDAERO CCCc1nccnc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000630558813 364259845 /nfs/dbraw/zinc/25/98/45/364259845.db2.gz RRIVUPAQBIBRJV-HAQNSBGRSA-N 1 0 248.374 1.780 10 0 BDAERO Cc1cccc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630568694 364264413 /nfs/dbraw/zinc/26/44/13/364264413.db2.gz IQEYYYMRSRHPBQ-KOLCDFICSA-N 1 0 205.305 1.421 10 0 BDAERO CCOc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)ncn1 ZINC000630535626 364228880 /nfs/dbraw/zinc/22/88/80/364228880.db2.gz YERQLVPFCKNBNB-UWVGGRQHSA-N 1 0 236.319 1.428 10 0 BDAERO C[C@@H](CC[NH3+])Nc1nc2ccccc2o1 ZINC000134275715 364396886 /nfs/dbraw/zinc/39/68/86/364396886.db2.gz ODHWTYRKGWVTNN-QMMMGPOBSA-N 1 0 205.261 1.977 10 0 BDAERO [NH3+]CC1CCC(C(=O)N[C@H]2CCCOC2)CC1 ZINC000097031642 181364291 /nfs/dbraw/zinc/36/42/91/181364291.db2.gz ZWILTGYOSCIOQG-MCIGGMRASA-N 1 0 240.347 1.047 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000170859500 364532368 /nfs/dbraw/zinc/53/23/68/364532368.db2.gz FWWKEWMLPMUTRK-VXGBXAGGSA-N 1 0 222.332 1.505 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170862126 364542363 /nfs/dbraw/zinc/54/23/63/364542363.db2.gz KKNRHLQRDQBJOQ-WDEREUQCSA-N 1 0 227.352 1.376 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000170863332 364544251 /nfs/dbraw/zinc/54/42/51/364544251.db2.gz YGFRLTBYVMMAFT-LBPRGKRZSA-N 1 0 224.348 1.729 10 0 BDAERO Cc1ccc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000170865210 364545780 /nfs/dbraw/zinc/54/57/80/364545780.db2.gz XHEPPQRJEZQJLA-CYBMUJFWSA-N 1 0 247.342 1.095 10 0 BDAERO [NH3+]CCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000037804731 181366234 /nfs/dbraw/zinc/36/62/34/181366234.db2.gz LMKQXRWPXZQVLP-UHFFFAOYSA-N 1 0 230.311 1.651 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCCC[C@H]1O)C1CC1 ZINC000246431477 364593557 /nfs/dbraw/zinc/59/35/57/364593557.db2.gz NDYVKMBQYWYQOQ-SDDRHHMPSA-N 1 0 213.321 1.305 10 0 BDAERO CCSCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246781307 364610080 /nfs/dbraw/zinc/61/00/80/364610080.db2.gz OPDXKDWZBKLORQ-VXGBXAGGSA-N 1 0 228.405 1.908 10 0 BDAERO [NH3+]CCC(=O)Nc1ccc(Cl)s1 ZINC000077298274 181368795 /nfs/dbraw/zinc/36/87/95/181368795.db2.gz HIXINILQDIRUTL-UHFFFAOYSA-N 1 0 204.682 1.689 10 0 BDAERO CC(C)[C@@H]1C[C@](O)([C@H](C)C[NH3+])CCO1 ZINC000252638934 364679724 /nfs/dbraw/zinc/67/97/24/364679724.db2.gz JFSOFNDNZIPLIW-VWYCJHECSA-N 1 0 201.310 1.147 10 0 BDAERO [NH3+]CCC(=O)OCCc1ccc(F)c(Cl)c1 ZINC000077400464 181370441 /nfs/dbraw/zinc/37/04/41/181370441.db2.gz LQCACGMHSQDBQL-UHFFFAOYSA-N 1 0 245.681 1.914 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000573458123 364838757 /nfs/dbraw/zinc/83/87/57/364838757.db2.gz UALKDAPLABCHSY-GFCCVEGCSA-N 1 0 244.342 1.747 10 0 BDAERO [NH3+]CCCC(=O)Nc1c(F)cccc1F ZINC000020476423 181373006 /nfs/dbraw/zinc/37/30/06/181373006.db2.gz JKLDARWUJJTAEP-UHFFFAOYSA-N 1 0 214.215 1.642 10 0 BDAERO [NH3+]CCCC(=O)Nc1cccc2ncccc21 ZINC000019508036 181374337 /nfs/dbraw/zinc/37/43/37/181374337.db2.gz BKDVQQACFRLYBU-UHFFFAOYSA-N 1 0 229.283 1.912 10 0 BDAERO [NH3+]CCCCCNC(=O)Cc1ccccc1 ZINC000070626742 181374883 /nfs/dbraw/zinc/37/48/83/181374883.db2.gz WMLGYJZYWWIJEG-UHFFFAOYSA-N 1 0 220.316 1.474 10 0 BDAERO [NH3+]CCCCCc1nncn1-c1ccccc1 ZINC000054526813 181376195 /nfs/dbraw/zinc/37/61/95/181376195.db2.gz UQEWARNOXPOVTH-UHFFFAOYSA-N 1 0 230.315 1.939 10 0 BDAERO c1nn2cccnc2c1C1CC[NH2+]CC1 ZINC000082381591 541409765 /nfs/dbraw/zinc/40/97/65/541409765.db2.gz YXEBMVRNYRRBMB-UHFFFAOYSA-N 1 0 202.261 1.196 10 0 BDAERO CCOc1nccnc1NCCC[NH2+]C(C)C ZINC000573906363 364941435 /nfs/dbraw/zinc/94/14/35/364941435.db2.gz UOIUBGYCQZUADG-UHFFFAOYSA-N 1 0 238.335 1.675 10 0 BDAERO [NH3+]CCN1C(=O)S/C(=C\CCC2CC2)C1=O ZINC000073199042 181391895 /nfs/dbraw/zinc/39/18/95/181391895.db2.gz FXNMDCASRRZGFW-OQFOIZHKSA-N 1 0 240.328 1.715 10 0 BDAERO [NH3+]CCCNC(=O)c1ccc2ncccc2c1 ZINC000061410618 181382405 /nfs/dbraw/zinc/38/24/05/181382405.db2.gz PUTFTFDXKRQWNB-UHFFFAOYSA-N 1 0 229.283 1.313 10 0 BDAERO [NH3+]CCC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037713853 181384137 /nfs/dbraw/zinc/38/41/37/181384137.db2.gz HDAHKGJWZLAUKA-GFCCVEGCSA-N 1 0 222.357 1.913 10 0 BDAERO [NH3+]CCCS(=O)(=O)Cc1cccc(F)c1 ZINC000058250899 181384816 /nfs/dbraw/zinc/38/48/16/181384816.db2.gz OMGIKQNYZMBDFH-UHFFFAOYSA-N 1 0 231.292 1.089 10 0 BDAERO [NH3+]CCCSc1cccc2nccn21 ZINC000089201298 181385059 /nfs/dbraw/zinc/38/50/59/181385059.db2.gz OFCKDAWYUGSYHF-UHFFFAOYSA-N 1 0 207.302 1.775 10 0 BDAERO C[NH2+][C@H](C)c1nc2cc(OC)ccc2[nH]1 ZINC000083187356 541451319 /nfs/dbraw/zinc/45/13/19/541451319.db2.gz OCKJGBKTRPFDRY-SSDOTTSWSA-N 1 0 205.261 1.852 10 0 BDAERO [NH3+]CCCc1ncccc1Br ZINC000083298911 181386758 /nfs/dbraw/zinc/38/67/58/181386758.db2.gz RLKSEONRUBXNGF-UHFFFAOYSA-N 1 0 215.094 1.735 10 0 BDAERO [NH3+]CCCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000061844151 181387240 /nfs/dbraw/zinc/38/72/40/181387240.db2.gz QCADHSIIYVWXAK-UHFFFAOYSA-N 1 0 220.251 1.502 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccncc2)o1 ZINC000011585903 181388005 /nfs/dbraw/zinc/38/80/05/181388005.db2.gz GPSHCFSRHUORGY-UHFFFAOYSA-N 1 0 204.233 1.023 10 0 BDAERO [NH3+]CCCc1nnc(Cc2cccc(F)c2)o1 ZINC000019733076 181388155 /nfs/dbraw/zinc/38/81/55/181388155.db2.gz WDHOFTWVOZFHKM-UHFFFAOYSA-N 1 0 235.262 1.691 10 0 BDAERO [NH3+]CCCc1nnc(CCc2cccc(F)c2)o1 ZINC000011585978 181388159 /nfs/dbraw/zinc/38/81/59/181388159.db2.gz KUMVROKRRKCVMR-UHFFFAOYSA-N 1 0 249.289 1.885 10 0 BDAERO [NH3+]CCCc1nnc(CCc2ccccc2)o1 ZINC000011585962 181388344 /nfs/dbraw/zinc/38/83/44/181388344.db2.gz CJMRTQLRVJUXSM-UHFFFAOYSA-N 1 0 231.299 1.746 10 0 BDAERO [NH3+]CCCc1nnc(CCc2cccs2)o1 ZINC000011585966 181388582 /nfs/dbraw/zinc/38/85/82/181388582.db2.gz LDDOEKTUCNTONS-UHFFFAOYSA-N 1 0 237.328 1.808 10 0 BDAERO [NH3+]CCN(Cc1ccncc1)Cc1ccncc1 ZINC000067878066 181390770 /nfs/dbraw/zinc/39/07/70/181390770.db2.gz WLGZZWFPAJPJCW-UHFFFAOYSA-N 1 0 242.326 1.438 10 0 BDAERO [NH3+]CCN(C(=O)C1CCCCC1)C1CC1 ZINC000041056701 181390797 /nfs/dbraw/zinc/39/07/97/181390797.db2.gz MJKNTDLYGFTQRS-UHFFFAOYSA-N 1 0 210.321 1.516 10 0 BDAERO [NH3+]CCN(C(=O)C1CCCCCC1)C1CC1 ZINC000053713055 181391030 /nfs/dbraw/zinc/39/10/30/181391030.db2.gz FPSXZGBOUJAPEF-UHFFFAOYSA-N 1 0 224.348 1.907 10 0 BDAERO [NH3+]CCN(c1ncccc1F)C1CCCC1 ZINC000054701331 181391059 /nfs/dbraw/zinc/39/10/59/181391059.db2.gz WMWDVUZTHQZTMB-UHFFFAOYSA-N 1 0 223.295 1.928 10 0 BDAERO [NH3+]CCN1C(=O)CC2(CCCCC2)CC1=O ZINC000037751206 181391154 /nfs/dbraw/zinc/39/11/54/181391154.db2.gz QAEGFZYKXILYSX-UHFFFAOYSA-N 1 0 224.304 1.045 10 0 BDAERO [NH3+]CCN[C@H]1CSCc2ccccc21 ZINC000037713023 181396861 /nfs/dbraw/zinc/39/68/61/181396861.db2.gz GLQZMDVJUFKQJV-NSHDSACASA-N 1 0 208.330 1.523 10 0 BDAERO NCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000037712818 181397210 /nfs/dbraw/zinc/39/72/10/181397210.db2.gz PGODUORJRPJZCT-UHFFFAOYSA-N 1 0 208.280 1.620 10 0 BDAERO Nc1ccc2nc(NCC[NH3+])ccc2c1 ZINC000052815332 181398443 /nfs/dbraw/zinc/39/84/43/181398443.db2.gz YZFZTJUGLUNYBH-UHFFFAOYSA-N 1 0 202.261 1.188 10 0 BDAERO [NH3+]CCOCCc1ccc2c(c1)OCCCO2 ZINC000057954932 181399393 /nfs/dbraw/zinc/39/93/93/181399393.db2.gz JGQXDVAHGXDZAT-UHFFFAOYSA-N 1 0 237.299 1.366 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2CC(C)C2)C1 ZINC000575044752 365175660 /nfs/dbraw/zinc/17/56/60/365175660.db2.gz WSXNBVKWMDPECH-BFUDSRACSA-N 1 0 224.348 1.618 10 0 BDAERO [NH3+]CC[C@H]1CCN(Cc2ccccc2)C1=O ZINC000083253702 181410951 /nfs/dbraw/zinc/41/09/51/181410951.db2.gz BBVMHXXPFCPNEB-LBPRGKRZSA-N 1 0 218.300 1.384 10 0 BDAERO [NH3+]CCc1ccc(Br)cc1O ZINC000082969722 181412044 /nfs/dbraw/zinc/41/20/44/181412044.db2.gz HBFSOPZGYYJICI-UHFFFAOYSA-N 1 0 216.078 1.656 10 0 BDAERO [NH3+]CCc1cnn(CC2CCCCC2)c1 ZINC000054740848 181412993 /nfs/dbraw/zinc/41/29/93/181412993.db2.gz ZLWAOCPFPBIVTK-UHFFFAOYSA-N 1 0 207.321 1.965 10 0 BDAERO [NH3+]CCc1cnccc1Br ZINC000044399134 181413069 /nfs/dbraw/zinc/41/30/69/181413069.db2.gz PVWAIAYUUNWRQK-UHFFFAOYSA-N 1 0 201.067 1.345 10 0 BDAERO [NH3+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000019276014 181421862 /nfs/dbraw/zinc/42/18/62/181421862.db2.gz ZLBJIJMTXKILKY-DGCLKSJQSA-N 1 0 221.300 1.400 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1nc[nH]n1 ZINC000035722928 181428582 /nfs/dbraw/zinc/42/85/82/181428582.db2.gz PDTIAOAGVRUCRF-YUMQZZPRSA-N 1 0 212.322 1.414 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1C(=O)C1[C@@H]2CCC[C@H]12 ZINC000132576668 181427902 /nfs/dbraw/zinc/42/79/02/181427902.db2.gz SMWTWMDKJVWHCI-WSMDXJOWSA-N 1 0 222.332 1.372 10 0 BDAERO CO[C@H](C)c1nsc(N(C)CCC[NH3+])n1 ZINC000379874030 365333272 /nfs/dbraw/zinc/33/32/72/365333272.db2.gz RVISVIBHSZVLOY-SSDOTTSWSA-N 1 0 230.337 1.031 10 0 BDAERO CC1CC(C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000379877836 365334772 /nfs/dbraw/zinc/33/47/72/365334772.db2.gz BAHDAKHXQPUKEU-UHFFFAOYSA-N 1 0 212.337 1.537 10 0 BDAERO CCN1C[C@H]([NH2+][C@@H](COC)C(C)C)[C@@H](C)C1 ZINC000381406562 541460971 /nfs/dbraw/zinc/46/09/71/541460971.db2.gz SMOWRADQXYCIQW-AVGNSLFASA-N 1 0 228.380 1.587 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2conc2C)C1 ZINC000339204608 365451505 /nfs/dbraw/zinc/45/15/05/365451505.db2.gz IFLZWHUJXAKPMP-GFCCVEGCSA-N 1 0 223.320 1.557 10 0 BDAERO CC(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000685952056 541497578 /nfs/dbraw/zinc/49/75/78/541497578.db2.gz RKBHLCUXNKRCOS-SNVBAGLBSA-N 1 0 208.309 1.401 10 0 BDAERO CC(C)(C)[C@H]1CCNc2nc(CC[NH3+])nn21 ZINC000232519313 541505201 /nfs/dbraw/zinc/50/52/01/541505201.db2.gz OTFIBJGCYNLZNV-MRVPVSSYSA-N 1 0 223.324 1.182 10 0 BDAERO Fc1cccc(-c2cnnn2C2C[NH2+]C2)c1 ZINC000685952104 541497259 /nfs/dbraw/zinc/49/72/59/541497259.db2.gz URKUGXGFNFBYFN-UHFFFAOYSA-N 1 0 218.235 1.229 10 0 BDAERO c1csc(-c2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000685952034 541497383 /nfs/dbraw/zinc/49/73/83/541497383.db2.gz PSDMEECUQITPSW-SECBINFHSA-N 1 0 234.328 1.931 10 0 BDAERO CO[C@@H]([C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000579822394 367023324 /nfs/dbraw/zinc/02/33/24/367023324.db2.gz GVKHLIROASEFIM-XWUBHJNHSA-N 1 0 240.391 1.778 10 0 BDAERO C[C@H](C[NH3+])Nc1nccc(C(C)(C)C)n1 ZINC000380287841 367171174 /nfs/dbraw/zinc/17/11/74/367171174.db2.gz AXBGVBIBTFKCCQ-MRVPVSSYSA-N 1 0 208.309 1.533 10 0 BDAERO CC[C@]1(CN2CCSCC2)CCC[NH2+]1 ZINC000215393558 370858977 /nfs/dbraw/zinc/85/89/77/370858977.db2.gz OSSWPIRDHRMFQA-LLVKDONJSA-N 1 0 214.378 1.567 10 0 BDAERO CC[C@@]1(CN2CCSCC2)CCC[NH2+]1 ZINC000215393603 370859237 /nfs/dbraw/zinc/85/92/37/370859237.db2.gz OSSWPIRDHRMFQA-NSHDSACASA-N 1 0 214.378 1.567 10 0 BDAERO CO[C@@](C)(C[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000381108459 367351541 /nfs/dbraw/zinc/35/15/41/367351541.db2.gz ZJIYBKUPUROFOB-YPMHNXCESA-N 1 0 229.364 1.798 10 0 BDAERO CCc1cnc(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000381991205 367477154 /nfs/dbraw/zinc/47/71/54/367477154.db2.gz HPXIPZJPJYPGHB-IONNQARKSA-N 1 0 212.318 1.176 10 0 BDAERO CC1CC(C(=O)NC(C)(C)CCC[NH3+])C1 ZINC000382162634 367492031 /nfs/dbraw/zinc/49/20/31/367492031.db2.gz TVPJFXUPQCZBHM-UHFFFAOYSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)Oc1cncc(N[C@H](C)[C@H](C)[NH3+])n1 ZINC000381556859 367429928 /nfs/dbraw/zinc/42/99/28/367429928.db2.gz HEEVJDUHLNZGJG-DTWKUNHWSA-N 1 0 224.308 1.411 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000381626852 367440516 /nfs/dbraw/zinc/44/05/16/367440516.db2.gz WPTZDBNZSRIMKK-VXGBXAGGSA-N 1 0 234.299 1.026 10 0 BDAERO CN(CCC[NH3+])c1nccc(C(C)(C)C)n1 ZINC000381821263 367460694 /nfs/dbraw/zinc/46/06/94/367460694.db2.gz KWFGCYGICIOJMP-UHFFFAOYSA-N 1 0 222.336 1.559 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000382272070 367502509 /nfs/dbraw/zinc/50/25/09/367502509.db2.gz ZJEKMMQKKNSQEX-BWZBUEFSSA-N 1 0 227.226 1.067 10 0 BDAERO [NH3+]CC[C@H](Nc1nc2ccccc2[nH]1)C(F)F ZINC000383241336 367607951 /nfs/dbraw/zinc/60/79/51/367607951.db2.gz BRBGBSYPMWSZCG-VIFPVBQESA-N 1 0 240.257 1.957 10 0 BDAERO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000384521636 367696496 /nfs/dbraw/zinc/69/64/96/367696496.db2.gz BCJNTXIARUJKRO-NWDGAFQWSA-N 1 0 228.380 1.731 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)[C@H](C)O1 ZINC000384871825 367747135 /nfs/dbraw/zinc/74/71/35/367747135.db2.gz IOJGIZRYQHEVFL-MOLYVOAJSA-N 1 0 227.348 1.693 10 0 BDAERO CC(C)c1nsc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385218819 367810251 /nfs/dbraw/zinc/81/02/51/367810251.db2.gz GLIDGTGKCLYGBZ-HTQZYQBOSA-N 1 0 226.349 1.587 10 0 BDAERO CC(C)Oc1cc(N2C[C@H]([NH3+])C[C@H]2C)ncn1 ZINC000385195202 367806351 /nfs/dbraw/zinc/80/63/51/367806351.db2.gz OMLCTNDPVHMWAV-NXEZZACHSA-N 1 0 236.319 1.190 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CCC(=O)OCC ZINC000385527059 367840079 /nfs/dbraw/zinc/84/00/79/367840079.db2.gz JFTWIEKMNKMMOR-GRYCIOLGSA-N 1 0 243.347 1.469 10 0 BDAERO Cc1cnc(N2CC[NH2+]C(C)(C)C2)nc1C ZINC000386570221 367993689 /nfs/dbraw/zinc/99/36/89/367993689.db2.gz QPGRCBPAEWZKPY-UHFFFAOYSA-N 1 0 220.320 1.282 10 0 BDAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H](CO)C1CCCCC1 ZINC000386273563 367943555 /nfs/dbraw/zinc/94/35/55/367943555.db2.gz PJCJEOJCHJBPCW-BNOWGMLFSA-N 1 0 241.375 1.942 10 0 BDAERO Cc1cnc(N2CCC[C@@H]([C@H](C)[NH3+])C2)nc1C ZINC000386471794 367978907 /nfs/dbraw/zinc/97/89/07/367978907.db2.gz PBDNNBNHRIPHRW-CMPLNLGQSA-N 1 0 234.347 1.657 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000387044892 368044626 /nfs/dbraw/zinc/04/46/26/368044626.db2.gz RSFSACMPWOWAGZ-NXEZZACHSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@@H](CN(C)C(=O)[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000399396947 368161127 /nfs/dbraw/zinc/16/11/27/368161127.db2.gz BHMXAUDZKDYIHO-QWRGUYRKSA-N 1 0 226.364 1.737 10 0 BDAERO C[C@@H]1CC[NH2+][C@](C)([C@H]2CCOC2)S1 ZINC000252954190 368170988 /nfs/dbraw/zinc/17/09/88/368170988.db2.gz QOEVWZOYLLPPKM-UTLUCORTSA-N 1 0 201.335 1.854 10 0 BDAERO COC[C@H]([NH3+])C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000399521050 368172641 /nfs/dbraw/zinc/17/26/41/368172641.db2.gz OOKHDOCQHYXPMB-UWVGGRQHSA-N 1 0 230.352 1.101 10 0 BDAERO [NH3+]C[C@@H]1CCN(CC(=O)c2cccc(F)c2)C1 ZINC000050250179 181434846 /nfs/dbraw/zinc/43/48/46/181434846.db2.gz ZVTHMNIJNPDWPG-JTQLQIEISA-N 1 0 236.290 1.289 10 0 BDAERO CC(C)[NH2+]C[C@H](O)COc1ccc(NO)cc1 ZINC000033902519 368321929 /nfs/dbraw/zinc/32/19/29/368321929.db2.gz UCGFOKKVSOLRAB-NSHDSACASA-N 1 0 240.303 1.225 10 0 BDAERO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH3+] ZINC000215740215 368312533 /nfs/dbraw/zinc/31/25/33/368312533.db2.gz BWXDXUVIZLNSHM-DTWKUNHWSA-N 1 0 214.309 1.448 10 0 BDAERO C[NH+](C)C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000204518102 368399064 /nfs/dbraw/zinc/39/90/64/368399064.db2.gz QEMPOWXQAVOYFY-VIFPVBQESA-N 1 0 219.206 1.699 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cccnc2)CC1 ZINC000100209478 181436050 /nfs/dbraw/zinc/43/60/50/181436050.db2.gz KYLXQSSTAJYSGY-PHIMTYICSA-N 1 0 233.315 1.785 10 0 BDAERO CCC[C@H](C(=O)N(CC)CCOCC)[NH+](C)C ZINC000153595900 326103208 /nfs/dbraw/zinc/10/32/08/326103208.db2.gz KNKWINVTALFWOI-GFCCVEGCSA-N 1 0 244.379 1.602 10 0 BDAERO COc1ccccc1C[C@@H]1[NH2+]CCC(=O)[C@@H]1C ZINC000081199764 368581512 /nfs/dbraw/zinc/58/15/12/368581512.db2.gz CGAYNDWOMDNMJZ-PWSUYJOCSA-N 1 0 233.311 1.805 10 0 BDAERO Cc1cccc(C[NH2+]C[C@@H]2CCCOC2)n1 ZINC000082581212 368694546 /nfs/dbraw/zinc/69/45/46/368694546.db2.gz HEMGBNXCKXOVFS-LBPRGKRZSA-N 1 0 220.316 1.906 10 0 BDAERO COc1cc(NCC[NH+]2CCCC2)ccc1N ZINC000111055698 368846403 /nfs/dbraw/zinc/84/64/03/368846403.db2.gz YWXHKFYGHXRZEN-UHFFFAOYSA-N 1 0 235.331 1.785 10 0 BDAERO COc1c(C[NH2+][C@H]2C[C@H](OC)C2)c(C)nn1C ZINC000623807967 368913582 /nfs/dbraw/zinc/91/35/82/368913582.db2.gz ZVXQLOFPYFELHY-MGCOHNPYSA-N 1 0 239.319 1.004 10 0 BDAERO COC(=O)c1ccc2c(c1)C[C@H]([NH3+])CC2 ZINC000113643977 368899644 /nfs/dbraw/zinc/89/96/44/368899644.db2.gz PGOYVJHAFLMARC-LLVKDONJSA-N 1 0 205.257 1.289 10 0 BDAERO c1nc2cnccc2n1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000203845506 368979733 /nfs/dbraw/zinc/97/97/33/368979733.db2.gz NROCRBFFHZLOLD-ZACCUICWSA-N 1 0 228.299 1.887 10 0 BDAERO [NH3+]CCN1C[C@@H](c2conn2)Nc2ccccc21 ZINC000616691448 369113526 /nfs/dbraw/zinc/11/35/26/369113526.db2.gz AALLTVPUSVKARW-JTQLQIEISA-N 1 0 245.286 1.002 10 0 BDAERO [NH3+]C[C@H]1CO[C@H](c2ccccc2Cl)O1 ZINC000049815489 181468194 /nfs/dbraw/zinc/46/81/94/181468194.db2.gz UKGATQURCADFDJ-XVKPBYJWSA-N 1 0 213.664 1.713 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cncc(F)c1 ZINC000623766940 369216099 /nfs/dbraw/zinc/21/60/99/369216099.db2.gz NVHMHMCNKFSMQY-KPXOXKRLSA-N 1 0 240.278 1.021 10 0 BDAERO CSC[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000400137017 369343593 /nfs/dbraw/zinc/34/35/93/369343593.db2.gz VSXXJDYYIOKNKG-OUAUKWLOSA-N 1 0 242.388 1.196 10 0 BDAERO C(C1CCCCC1)[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404214728 369422233 /nfs/dbraw/zinc/42/22/33/369422233.db2.gz XUZGVUZRPKDJAJ-KBPBESRZSA-N 1 0 238.375 1.629 10 0 BDAERO C(C1CCCC1)[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404189325 369422648 /nfs/dbraw/zinc/42/26/48/369422648.db2.gz GZUPUTQFPDSGDE-OLZOCXBDSA-N 1 0 224.348 1.239 10 0 BDAERO C[C@H](c1ccccc1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404284183 369425497 /nfs/dbraw/zinc/42/54/97/369425497.db2.gz WSDKYYIDJDBTIP-BPLDGKMQSA-N 1 0 246.354 1.810 10 0 BDAERO C[C@H](c1ccccc1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404284186 369425854 /nfs/dbraw/zinc/42/58/54/369425854.db2.gz WSDKYYIDJDBTIP-YUELXQCFSA-N 1 0 246.354 1.810 10 0 BDAERO CC(C)(CC[NH2+]CC1(O)CCOCC1)C1CC1 ZINC000405948680 369480118 /nfs/dbraw/zinc/48/01/18/369480118.db2.gz DOXGOICCNQLCNB-UHFFFAOYSA-N 1 0 241.375 1.944 10 0 BDAERO [NH3+]Cc1ccc2c(c1)ncn2C[C@H]1CCCO1 ZINC000062214043 181486644 /nfs/dbraw/zinc/48/66/44/181486644.db2.gz QHQLAEJFTRJOPH-LLVKDONJSA-N 1 0 231.299 1.674 10 0 BDAERO [NH3+]Cc1cccc(CN2CCCCC2=O)c1 ZINC000020295831 181488074 /nfs/dbraw/zinc/48/80/74/181488074.db2.gz UJXRDINVBVUNIJ-UHFFFAOYSA-N 1 0 218.300 1.658 10 0 BDAERO [NH3+]Cc1cccc(CNc2ncccn2)c1 ZINC000036202496 181489359 /nfs/dbraw/zinc/48/93/59/181489359.db2.gz GDJPTWDESBGWDQ-UHFFFAOYSA-N 1 0 214.272 1.547 10 0 BDAERO CC(C)[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C)CC[NH2+]1 ZINC000621156509 370129083 /nfs/dbraw/zinc/12/90/83/370129083.db2.gz BEHBKLSNLIOQEZ-XQQFMLRXSA-N 1 0 238.375 1.879 10 0 BDAERO Cc1ncc(C[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000309709913 370246578 /nfs/dbraw/zinc/24/65/78/370246578.db2.gz QERDPDABGNGVRV-LBPRGKRZSA-N 1 0 221.304 1.444 10 0 BDAERO O=[S@@](c1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000215256432 370364437 /nfs/dbraw/zinc/36/44/37/370364437.db2.gz LWCHBRQOBQGITJ-RMLUDKJBSA-N 1 0 213.277 1.295 10 0 BDAERO [NH3+]Cc1nc(C(F)(F)F)cc(C(F)(F)F)n1 ZINC000095760916 181500742 /nfs/dbraw/zinc/50/07/42/181500742.db2.gz JUPLWAJBCAFCEH-UHFFFAOYSA-N 1 0 245.126 1.973 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCC[C@@H]1CC1(F)F ZINC000621670514 370420749 /nfs/dbraw/zinc/42/07/49/370420749.db2.gz PXXMVHVRQBWBGA-VHSXEESVSA-N 1 0 246.301 1.538 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NCC[C@H]1CC1(F)F ZINC000621670806 370421529 /nfs/dbraw/zinc/42/15/29/370421529.db2.gz ZGMPKSYLMJDELG-VHSXEESVSA-N 1 0 246.301 1.680 10 0 BDAERO C[C@]1(C(=O)NCC[C@@H]2CC2(F)F)CCCC[NH2+]1 ZINC000621670970 370422162 /nfs/dbraw/zinc/42/21/62/370422162.db2.gz DSPVGSUHDDBHNN-MWLCHTKSSA-N 1 0 246.301 1.680 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000113267026 370396605 /nfs/dbraw/zinc/39/66/05/370396605.db2.gz WBXQCKDMAPAIAP-ZDUSSCGKSA-N 1 0 238.331 1.398 10 0 BDAERO C[C@H]1CN(CC[NH+]2CCCCC2)CCS1 ZINC000077174165 370398555 /nfs/dbraw/zinc/39/85/55/370398555.db2.gz FJEBJJHARYYTRX-LBPRGKRZSA-N 1 0 228.405 1.910 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@H]1CC1(F)F ZINC000621670555 370419385 /nfs/dbraw/zinc/41/93/85/370419385.db2.gz QTVGPAWXZNXMGL-HRDYMLBCSA-N 1 0 232.274 1.003 10 0 BDAERO CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H]2C[C@H]2CO)C1 ZINC000378661848 371012365 /nfs/dbraw/zinc/01/23/65/371012365.db2.gz CARTVVNQRQXKKO-LPTSXCQYSA-N 1 0 209.333 1.949 10 0 BDAERO C[S@](=O)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378670000 371013436 /nfs/dbraw/zinc/01/34/36/371013436.db2.gz JELKHRDQMTYBSS-OXIWPEFWSA-N 1 0 215.362 1.533 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccc[nH]1 ZINC000038049623 181575057 /nfs/dbraw/zinc/57/50/57/181575057.db2.gz BKZPGGCIRXLWER-BDAKNGLRSA-N 1 0 207.277 1.014 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1 ZINC000038048855 181575596 /nfs/dbraw/zinc/57/55/96/181575596.db2.gz MGHXBZCCOMKWEG-NEPJUHHUSA-N 1 0 218.300 1.686 10 0 BDAERO [NH3+][C@@H]1CCCc2c(F)cc(F)cc2[C@@H]1O ZINC000019795630 181586136 /nfs/dbraw/zinc/58/61/36/181586136.db2.gz QSEWTXZVKZPKFM-MNOVXSKESA-N 1 0 213.227 1.662 10 0 BDAERO [NH3+][C@@H]1CCN(c2cccc(Cl)c2F)C1=O ZINC000049648637 181590052 /nfs/dbraw/zinc/59/00/52/181590052.db2.gz WUJPVFASRMHIFP-SSDOTTSWSA-N 1 0 228.654 1.543 10 0 BDAERO [NH3+][C@@H]1CCc2[nH]c3ccc(O)cc3c2C1 ZINC000034537517 181594494 /nfs/dbraw/zinc/59/44/94/181594494.db2.gz LJWYBCXJJVUBAZ-SSDOTTSWSA-N 1 0 202.257 1.690 10 0 BDAERO [NH3+][C@@H]1Cc2cccc(Br)c2C1 ZINC000060071393 181600417 /nfs/dbraw/zinc/60/04/17/181600417.db2.gz JDFSFDXKDBGOEZ-SSDOTTSWSA-N 1 0 212.090 1.875 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1Nc1cc(Cl)ncn1 ZINC000095072228 181640693 /nfs/dbraw/zinc/64/06/93/181640693.db2.gz GDYRDEXGKUATLY-YUMQZZPRSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)o1 ZINC000038048601 181641115 /nfs/dbraw/zinc/64/11/15/181641115.db2.gz KCYIVPVBDBHIIC-YUMQZZPRSA-N 1 0 242.706 1.933 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1Nc1ccc(Cl)nn1 ZINC000038050634 181642205 /nfs/dbraw/zinc/64/22/05/181642205.db2.gz CTYHBTBZMATMLT-JGVFFNPUSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@H]1CCO[C@H]1c1nccn1-c1ccccc1 ZINC000238854717 181653013 /nfs/dbraw/zinc/65/30/13/181653013.db2.gz OWAHJAFDTMVXCV-NWDGAFQWSA-N 1 0 229.283 1.661 10 0 BDAERO [NH3+][C@H]1Cc2cccc(Br)c2C1 ZINC000060071395 181660350 /nfs/dbraw/zinc/66/03/50/181660350.db2.gz JDFSFDXKDBGOEZ-ZETCQYMHSA-N 1 0 212.090 1.875 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CC(C)(C)C1 ZINC000624235331 371422464 /nfs/dbraw/zinc/42/24/64/371422464.db2.gz IQDZEMCGCIXJOR-XQHKEYJVSA-N 1 0 241.375 1.941 10 0 BDAERO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624235472 371422501 /nfs/dbraw/zinc/42/25/01/371422501.db2.gz KRFVYNYCSMBXIW-ILXRZTDVSA-N 1 0 249.354 1.747 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)C1CCCCC1 ZINC000624235010 371422532 /nfs/dbraw/zinc/42/25/32/371422532.db2.gz BGUVLTCXCWTNQV-UHTWSYAYSA-N 1 0 227.348 1.695 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cccs1 ZINC000624235273 371423162 /nfs/dbraw/zinc/42/31/62/371423162.db2.gz HSZZJFFSLFFXFE-AXFHLTTASA-N 1 0 241.356 1.939 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)cs1 ZINC000624239469 371428827 /nfs/dbraw/zinc/42/88/27/371428827.db2.gz LVMZEKVYNHTLJS-WCQGTBRESA-N 1 0 241.356 1.857 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NCC[NH+]1CCCCC1 ZINC000125937018 371454407 /nfs/dbraw/zinc/45/44/07/371454407.db2.gz NSLPQANDXNRLIS-GFCCVEGCSA-N 1 0 241.379 1.816 10 0 BDAERO Nc1c[nH+]ccc1NC1(CO)CCCCC1 ZINC000053113908 181769268 /nfs/dbraw/zinc/76/92/68/181769268.db2.gz RMNWDILWXWUXDX-UHFFFAOYSA-N 1 0 221.304 1.771 10 0 BDAERO O[C@@H]([C@H]1CCC[NH2+]C1)C(F)(F)Br ZINC000225657958 371564448 /nfs/dbraw/zinc/56/44/48/371564448.db2.gz SGMXJPNXFMSAQB-WDSKDSINSA-N 1 0 244.079 1.335 10 0 BDAERO C[C@@](F)(C[NH3+])C(F)(F)Br ZINC000225684235 371565274 /nfs/dbraw/zinc/56/52/74/371565274.db2.gz HGLDFJAVWFOYIN-GSVOUGTGSA-N 1 0 206.005 1.661 10 0 BDAERO O=C1CC[C@H]([N@H+]2CCCC[C@@H]2CCO)C1 ZINC000225708221 371567088 /nfs/dbraw/zinc/56/70/88/371567088.db2.gz OGDSYKZDNQURTJ-MNOVXSKESA-N 1 0 211.305 1.345 10 0 BDAERO CCCN1C(=[NH2+])NC[C@@H]1c1cncs1 ZINC000161835758 371570939 /nfs/dbraw/zinc/57/09/39/371570939.db2.gz KMPPJESDTUFGNG-SSDOTTSWSA-N 1 0 210.306 1.225 10 0 BDAERO CC1(Cc2ccc(Br)cn2)C[NH2+]C1 ZINC000161893619 371578754 /nfs/dbraw/zinc/57/87/54/371578754.db2.gz HEUBJHARKQUNPJ-UHFFFAOYSA-N 1 0 241.132 1.996 10 0 BDAERO FC(F)Cn1cncc1[C@H]1CC[NH2+]C1 ZINC000131440555 371605159 /nfs/dbraw/zinc/60/51/59/371605159.db2.gz XPPWFVSGVOYVGD-ZETCQYMHSA-N 1 0 201.220 1.225 10 0 BDAERO C[C@]1(C(=O)Cc2ccncc2)CCC[NH2+]1 ZINC000226493279 371681076 /nfs/dbraw/zinc/68/10/76/371681076.db2.gz BRRMRNAHCZRMSB-GFCCVEGCSA-N 1 0 204.273 1.335 10 0 BDAERO c1ccc2c(c1)ccnc2[C@@H]1C[NH2+]CCO1 ZINC000215732632 371621127 /nfs/dbraw/zinc/62/11/27/371621127.db2.gz BJWQYCFKXKENBW-LBPRGKRZSA-N 1 0 214.268 1.896 10 0 BDAERO [NH3+][C@H]1CCCCC[C@@H]1Oc1ncns1 ZINC000131577556 371627298 /nfs/dbraw/zinc/62/72/98/371627298.db2.gz BJANQPNODFBRDE-YUMQZZPRSA-N 1 0 213.306 1.577 10 0 BDAERO C[C@H]1CSCC[N@@H+]1[C@H]1CCC[C@@H]1O ZINC000226287035 371639473 /nfs/dbraw/zinc/63/94/73/371639473.db2.gz XXFBAMDVFJTYJJ-GUBZILKMSA-N 1 0 201.335 1.337 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1Oc1ncc(Cl)cn1 ZINC000131647542 371640632 /nfs/dbraw/zinc/64/06/32/371640632.db2.gz ZOVJDGWPMYRHKF-SFYZADRCSA-N 1 0 213.668 1.389 10 0 BDAERO Nc1[nH+]c2cc(F)ccc2n1C[C@H]1CCOC1 ZINC000061146980 181793307 /nfs/dbraw/zinc/79/33/07/181793307.db2.gz KRKRGYCGNCODNA-MRVPVSSYSA-N 1 0 235.262 1.794 10 0 BDAERO Cc1cc(C(=O)[C@H]2CC[C@@H](C[NH3+])O2)cs1 ZINC000226650950 371717504 /nfs/dbraw/zinc/71/75/04/371717504.db2.gz FFNGZUMYHGZESN-VHSXEESVSA-N 1 0 225.313 1.746 10 0 BDAERO CC[C@@H]1CS[C@]2(CCO[C@@H](C)C2)[NH2+]1 ZINC000226597957 371702956 /nfs/dbraw/zinc/70/29/56/371702956.db2.gz ZQKOAKQRPDHPJV-AEJSXWLSSA-N 1 0 201.335 1.997 10 0 BDAERO CCn1nccc1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000226598351 371703632 /nfs/dbraw/zinc/70/36/32/371703632.db2.gz RSBYZNCBYHBDGR-BDAKNGLRSA-N 1 0 207.277 1.213 10 0 BDAERO COc1ccc(C(=O)C2([NH3+])CCC2)cc1 ZINC000226780024 371743360 /nfs/dbraw/zinc/74/33/60/371743360.db2.gz KQAAPEFYNXKKCB-UHFFFAOYSA-N 1 0 205.257 1.759 10 0 BDAERO CC(C)(C(=O)C1CCC1)N1CC[NH2+]CC1 ZINC000226784887 371744541 /nfs/dbraw/zinc/74/45/41/371744541.db2.gz XDQWACJVSSZSBJ-UHFFFAOYSA-N 1 0 210.321 1.039 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]1CN1CCCSCC1 ZINC000226861630 371752442 /nfs/dbraw/zinc/75/24/42/371752442.db2.gz QHKVUYDMSWCOOC-GHMZBOCLSA-N 1 0 214.378 1.423 10 0 BDAERO C[C@@H]1CCC[C@@H]([C@@H]([NH3+])CS(C)(=O)=O)C1 ZINC000227161161 371794145 /nfs/dbraw/zinc/79/41/45/371794145.db2.gz SZNJHBSYIXIURK-BBBLOLIVSA-N 1 0 219.350 1.185 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]1C(=O)NCc1ccccc1 ZINC000226889155 371755981 /nfs/dbraw/zinc/75/59/81/371755981.db2.gz RNTBWGJUYUBXFF-PWSUYJOCSA-N 1 0 218.300 1.301 10 0 BDAERO c1nsc(S[C@@H]2CCCC[NH2+]C2)n1 ZINC000132188773 371763078 /nfs/dbraw/zinc/76/30/78/371763078.db2.gz VNSWJORUOAXSJS-SSDOTTSWSA-N 1 0 215.347 1.772 10 0 BDAERO Cc1nnc(N2CC[C@@H](C)[C@@H]2C[NH3+])s1 ZINC000227099401 371783090 /nfs/dbraw/zinc/78/30/90/371783090.db2.gz HAZARMOWDNSOMH-SVRRBLITSA-N 1 0 212.322 1.020 10 0 BDAERO c1ccc([C@@H]2C[N@@H+]3CCC[C@H]3CN2)cc1 ZINC000227093815 371783129 /nfs/dbraw/zinc/78/31/29/371783129.db2.gz VVTXUMOBQPCULI-STQMWFEESA-N 1 0 202.301 1.795 10 0 BDAERO C[C@@H]1SCCN(C(C)(C)C[NH3+])[C@H]1C ZINC000132278442 371783815 /nfs/dbraw/zinc/78/38/15/371783815.db2.gz HQSOOBURSONAAK-IUCAKERBSA-N 1 0 202.367 1.550 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@]2(C1)N[C@@H](C)CCS2 ZINC000401702757 371801411 /nfs/dbraw/zinc/80/14/11/371801411.db2.gz PQJXLFWECNNQLK-GUBZILKMSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@@H]1CNCC[N@H+](C[Si](C)(C)C)C1 ZINC000401807141 371820132 /nfs/dbraw/zinc/82/01/32/371820132.db2.gz QZACIXDIFIGWCJ-SNVBAGLBSA-N 1 0 200.402 1.405 10 0 BDAERO CCNC(=[NH2+])N1CCS[C@@H](C)[C@@H]1C ZINC000132446872 371824422 /nfs/dbraw/zinc/82/44/22/371824422.db2.gz SDUXPFTXMVGWFU-YUMQZZPRSA-N 1 0 201.339 1.356 10 0 BDAERO C[NH2+]C(C)(C)CN1CCS[C@@H](C)[C@H]1C ZINC000132490485 371838056 /nfs/dbraw/zinc/83/80/56/371838056.db2.gz JVDWBMOZCXWAAW-ZJUUUORDSA-N 1 0 216.394 1.810 10 0 BDAERO Cc1ccc(N2C[C@H]([NH3+])C2=O)cc1Cl ZINC000227618983 371905569 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/nfs/dbraw/zinc/35/47/60/183354760.db2.gz NUDKUXMMLJCFDG-LBPRGKRZSA-N 1 0 220.316 1.988 10 0 BDAERO c1[nH]nc2c1cccc2NC1CC[NH2+]CC1 ZINC000038041264 183356633 /nfs/dbraw/zinc/35/66/33/183356633.db2.gz FZYJIIUJQHYIOP-UHFFFAOYSA-N 1 0 216.288 1.727 10 0 BDAERO c1cc2c(cc1CCNC1=[NH+]CCC1)OCCO2 ZINC000095081805 183366283 /nfs/dbraw/zinc/36/62/83/183366283.db2.gz MNBHETLEDKFEPO-UHFFFAOYSA-N 1 0 246.310 1.782 10 0 BDAERO CCC[NH2+]CCCSc1ccncn1 ZINC000082535845 169257525 /nfs/dbraw/zinc/25/75/25/169257525.db2.gz MZRDIQRURKWPPR-UHFFFAOYSA-N 1 0 211.334 1.958 10 0 BDAERO c1cc(NCC[NH+]2CCCC2)cc2c1OCO2 ZINC000041262999 183369346 /nfs/dbraw/zinc/36/93/46/183369346.db2.gz YXJLEOWQLFZFIQ-UHFFFAOYSA-N 1 0 234.299 1.923 10 0 BDAERO CCC[NH2+]CCc1nnc(-c2cnoc2C)o1 ZINC000050619925 169260993 /nfs/dbraw/zinc/26/09/93/169260993.db2.gz HDTUZSXTECMKTM-UHFFFAOYSA-N 1 0 236.275 1.575 10 0 BDAERO CCCNC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916207 169235253 /nfs/dbraw/zinc/23/52/53/169235253.db2.gz RVKOTMIERFKABT-NEPJUHHUSA-N 1 0 239.363 1.570 10 0 BDAERO c1cc2ccc(NC3CC[NH2+]CC3)nc2[nH]1 ZINC000144860435 183375540 /nfs/dbraw/zinc/37/55/40/183375540.db2.gz HGIPAHFETIHEOL-UHFFFAOYSA-N 1 0 216.288 1.727 10 0 BDAERO c1ccc(-c2n[nH]c3c2C[NH2+]CC3)nc1 ZINC000077296808 183377997 /nfs/dbraw/zinc/37/79/97/183377997.db2.gz BFOCXNMMSVXRRL-UHFFFAOYSA-N 1 0 200.245 1.117 10 0 BDAERO CCCNC(=O)[C@H](C)NCCC[NH+](CC)CC ZINC000020316059 169245610 /nfs/dbraw/zinc/24/56/10/169245610.db2.gz AJMXAJMGIDLFGU-LBPRGKRZSA-N 1 0 243.395 1.223 10 0 BDAERO c1ccc(-c2nc3c(o2)CCC[NH2+]C3)nc1 ZINC000091301861 183383792 /nfs/dbraw/zinc/38/37/92/183383792.db2.gz HOVBFMUBPNWNQZ-UHFFFAOYSA-N 1 0 215.256 1.772 10 0 BDAERO c1ccc(-c2nnn(CC[NH2+]C3CC3)n2)cc1 ZINC000042409864 183384929 /nfs/dbraw/zinc/38/49/29/183384929.db2.gz BIVWGBAUEYKZAW-UHFFFAOYSA-N 1 0 229.287 1.092 10 0 BDAERO CCC[NH2+][C@H](C)COCCOCCC ZINC000082528563 169285756 /nfs/dbraw/zinc/28/57/56/169285756.db2.gz UFHRFGKIVQBMBY-LLVKDONJSA-N 1 0 203.326 1.818 10 0 BDAERO CCC[NH2+]C[C@@]1(O)CCOc2ccccc21 ZINC000055028389 169263169 /nfs/dbraw/zinc/26/31/69/169263169.db2.gz NGILVNNULNOAGQ-ZDUSSCGKSA-N 1 0 221.300 1.656 10 0 BDAERO CCC[NH2+]Cc1c(C)[nH]c(C(=O)OC)c1C ZINC000070463078 169265707 /nfs/dbraw/zinc/26/57/07/169265707.db2.gz QSXHYTCHOPFXAJ-UHFFFAOYSA-N 1 0 224.304 1.918 10 0 BDAERO CCC[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000048694216 169265776 /nfs/dbraw/zinc/26/57/76/169265776.db2.gz HCAODDOPMKKCLQ-UHFFFAOYSA-N 1 0 217.272 1.194 10 0 BDAERO CCC[NH2+]Cc1nccc(OC)c1OC ZINC000058824382 169269680 /nfs/dbraw/zinc/26/96/80/169269680.db2.gz AXLQVWRZEGYEHO-UHFFFAOYSA-N 1 0 210.277 1.598 10 0 BDAERO c1ccc(CN2CCC[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC000082369452 183398218 /nfs/dbraw/zinc/39/82/18/183398218.db2.gz ONQYKAILSLKZLP-ZIAGYGMSSA-N 1 0 216.328 1.870 10 0 BDAERO CCC[NH2+][C@@H](C(N)=O)c1ccc(CC)cc1 ZINC000037870140 169273285 /nfs/dbraw/zinc/27/32/85/169273285.db2.gz DSGHXCSJNJZGOL-GFCCVEGCSA-N 1 0 220.316 1.775 10 0 BDAERO CCC[NH2+][C@@H](C(N)=O)c1ccc(OCC)cc1 ZINC000037870251 169273837 /nfs/dbraw/zinc/27/38/37/169273837.db2.gz IQBZWTOMPQKRKK-GFCCVEGCSA-N 1 0 236.315 1.611 10 0 BDAERO CCCN[C@@H](CC[N@H+](C)CC(C)C)C(=O)OC ZINC000062444786 169278563 /nfs/dbraw/zinc/27/85/63/169278563.db2.gz AFVUWOQFOUSKJX-LBPRGKRZSA-N 1 0 244.379 1.506 10 0 BDAERO CCCN[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000050270518 169279716 /nfs/dbraw/zinc/27/97/16/169279716.db2.gz QQPUGVLAJBDAHY-NSHDSACASA-N 1 0 238.331 1.703 10 0 BDAERO CCC[NH2+][C@@H]1CCOC[C@H]1N(C)C[C@@H]1C[C@@H]1C ZINC000104425196 169283411 /nfs/dbraw/zinc/28/34/11/169283411.db2.gz YRXPLDNTSCBESJ-IGQOVBAYSA-N 1 0 240.391 1.731 10 0 BDAERO CCCOCCOCC[NH2+]CCCCOCC ZINC000104239509 169309525 /nfs/dbraw/zinc/30/95/25/169309525.db2.gz MVXMRTHYXSSJBB-UHFFFAOYSA-N 1 0 247.379 1.836 10 0 BDAERO CCCO[C@H]1CCC[N@@H+]([C@@H](C)CC(=O)OC)C1 ZINC000042423218 169312999 /nfs/dbraw/zinc/31/29/99/169312999.db2.gz YNBXDDXSMLJFLV-RYUDHWBXSA-N 1 0 243.347 1.829 10 0 BDAERO c1[nH]c2ccccc2c1N1CCC[NH2+]CC1 ZINC000077307661 183438621 /nfs/dbraw/zinc/43/86/21/183438621.db2.gz YHWVYQACRCEVHO-UHFFFAOYSA-N 1 0 215.300 1.968 10 0 BDAERO CCC[NH2+][C@H]1CCN(c2cnn(C)c2)[C@H](C)C1 ZINC000049711163 169291460 /nfs/dbraw/zinc/29/14/60/169291460.db2.gz YRDWXSMEDNSARM-NEPJUHHUSA-N 1 0 236.363 1.777 10 0 BDAERO CCC[NH2+][C@H]1CCN(Cc2ccncc2)C1=O ZINC000049648609 169291468 /nfs/dbraw/zinc/29/14/68/169291468.db2.gz QRCUMHGPUWDHOH-LBPRGKRZSA-N 1 0 233.315 1.182 10 0 BDAERO CCC[NH2+][C@H]1CCN(c2cccc(OC)c2)C1=O ZINC000049647920 169291478 /nfs/dbraw/zinc/29/14/78/169291478.db2.gz WVXDVKPQVAXKOY-ZDUSSCGKSA-N 1 0 248.326 1.800 10 0 BDAERO CCC[NH2+][C@H]1CCOC[C@@H]1OCCOCCC ZINC000104248653 169291972 /nfs/dbraw/zinc/29/19/72/169291972.db2.gz MLKNEDHLUDZLCE-STQMWFEESA-N 1 0 245.363 1.587 10 0 BDAERO CCC[NH2+][C@H]1CCN(Cc2ncccc2C)C1=O ZINC000070940837 169292065 /nfs/dbraw/zinc/29/20/65/169292065.db2.gz TUCPUIOUIAVNIO-LBPRGKRZSA-N 1 0 247.342 1.491 10 0 BDAERO CCC[NH2+][C@H]1c2ccccc2S(=O)(=O)[C@@H]1C ZINC000043636249 169292421 /nfs/dbraw/zinc/29/24/21/169292421.db2.gz GHTRWMAKIKRORG-BXKDBHETSA-N 1 0 239.340 1.903 10 0 BDAERO c1ccc2[nH]c(OC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000043220292 183436151 /nfs/dbraw/zinc/43/61/51/183436151.db2.gz AKQCMSCCKTZBJN-JTQLQIEISA-N 1 0 231.299 1.941 10 0 BDAERO CCCNc1cc(C[N@@H+]2CC[C@@H](O)C2)ccn1 ZINC000061711640 169294056 /nfs/dbraw/zinc/29/40/56/169294056.db2.gz HWMXBMFRQGYLHQ-GFCCVEGCSA-N 1 0 235.331 1.470 10 0 BDAERO c1ccc2c(c1)OCC[C@@H](C1=[NH+]CCN1)O2 ZINC000027647812 183453015 /nfs/dbraw/zinc/45/30/15/183453015.db2.gz KEMMFEZRLYRPNT-NSHDSACASA-N 1 0 218.256 1.218 10 0 BDAERO CCCOc1ccc([C@@](C)(O)C[NH3+])cc1OC ZINC000033468648 169321461 /nfs/dbraw/zinc/32/14/61/169321461.db2.gz KIELYQUWUXPURV-ZDUSSCGKSA-N 1 0 239.315 1.650 10 0 BDAERO CCCOc1ccc([C@](C)(O)C[NH3+])cc1OC ZINC000033468651 169322297 /nfs/dbraw/zinc/32/22/97/169322297.db2.gz KIELYQUWUXPURV-CYBMUJFWSA-N 1 0 239.315 1.650 10 0 BDAERO CCCOc1nc(NCC[NH+](C)C)ccc1N ZINC000037066742 169328151 /nfs/dbraw/zinc/32/81/51/169328151.db2.gz VHADXFPFZGWMNG-UHFFFAOYSA-N 1 0 238.335 1.426 10 0 BDAERO CCC[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1N ZINC000036789714 169365308 /nfs/dbraw/zinc/36/53/08/169365308.db2.gz GGWLGZUHUOIXPT-SNVBAGLBSA-N 1 0 249.358 1.988 10 0 BDAERO CCC[C@@H](C(=O)Nc1ccc(F)nc1)[NH+](C)C ZINC000092760357 169346412 /nfs/dbraw/zinc/34/64/12/169346412.db2.gz SUGFXKZUSUVFNG-JTQLQIEISA-N 1 0 239.294 1.890 10 0 BDAERO CCC[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336765697 169371379 /nfs/dbraw/zinc/37/13/79/169371379.db2.gz RCBIDFWMNBCDOI-ZJUUUORDSA-N 1 0 212.337 1.822 10 0 BDAERO CCOCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000221100974 134316760 /nfs/dbraw/zinc/31/67/60/134316760.db2.gz UIEROJMHJXZNCA-KBPBESRZSA-N 1 0 240.391 1.972 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(C2CCOCC2)n1 ZINC000061673804 169394434 /nfs/dbraw/zinc/39/44/34/169394434.db2.gz XQAWJMIMTAQKQO-SECBINFHSA-N 1 0 225.292 1.764 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(-c2ccncc2)n1 ZINC000041052556 169394940 /nfs/dbraw/zinc/39/49/40/169394940.db2.gz JKLXLCCFLBDPFL-SECBINFHSA-N 1 0 218.260 1.932 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])CSc1nccn1C ZINC000087541235 170796983 /nfs/dbraw/zinc/79/69/83/170796983.db2.gz GBYVQOSADCROLU-RKDXNWHRSA-N 1 0 213.350 1.886 10 0 BDAERO COC[C@@H]1CN(C(=O)CC[NH3+])CC12CCCC2 ZINC000409435677 383835865 /nfs/dbraw/zinc/83/58/65/383835865.db2.gz WDEGCKYRIWCNLY-NSHDSACASA-N 1 0 240.347 1.000 10 0 BDAERO CCC[C@@H](C)[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000187686957 383879727 /nfs/dbraw/zinc/87/97/27/383879727.db2.gz AUEJNOYEMPWBED-CHWSQXEVSA-N 1 0 228.380 1.564 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000227568185 134383488 /nfs/dbraw/zinc/38/34/88/134383488.db2.gz JYVPXQGBWCSBJF-RYUDHWBXSA-N 1 0 213.321 1.260 10 0 BDAERO CCC[C@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000187684272 383849139 /nfs/dbraw/zinc/84/91/39/383849139.db2.gz JTJQABMGCDJAMP-STQMWFEESA-N 1 0 237.347 1.773 10 0 BDAERO CC(C)c1nsc(N(C)CCOCC[NH3+])n1 ZINC000301044036 383878404 /nfs/dbraw/zinc/87/84/04/383878404.db2.gz LZNUCGKRNCRVOT-UHFFFAOYSA-N 1 0 244.364 1.073 10 0 BDAERO CN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000643614203 383995090 /nfs/dbraw/zinc/99/50/90/383995090.db2.gz NCIBWGZUKNXBIU-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO COCCC1(C(=O)N2CCCC2)CC[NH2+]CC1 ZINC000643614358 383997765 /nfs/dbraw/zinc/99/77/65/383997765.db2.gz SZERQHNLWHSIPP-UHFFFAOYSA-N 1 0 240.347 1.015 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000643614385 383998518 /nfs/dbraw/zinc/99/85/18/383998518.db2.gz UYKHIGNKEXXLJU-DGCLKSJQSA-N 1 0 248.326 1.100 10 0 BDAERO C[C@]([NH3+])(CCO)c1ccc2[nH]ccc2n1 ZINC000089221275 383948920 /nfs/dbraw/zinc/94/89/20/383948920.db2.gz SJIUQGONHBGYJV-NSHDSACASA-N 1 0 205.261 1.119 10 0 BDAERO Cc1ccoc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113225063 383969140 /nfs/dbraw/zinc/96/91/40/383969140.db2.gz JYXBZEBOSNBQKD-NWDGAFQWSA-N 1 0 248.326 1.897 10 0 BDAERO CCN(CC)C(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643614628 384016903 /nfs/dbraw/zinc/01/69/03/384016903.db2.gz FKVWUYNGVXLFOD-UHFFFAOYSA-N 1 0 242.363 1.261 10 0 BDAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643614708 384017878 /nfs/dbraw/zinc/01/78/78/384017878.db2.gz ILUBFQZFVDXJFL-TUAOUCFPSA-N 1 0 240.347 1.012 10 0 BDAERO O=C(NC1CCCCCC1)[C@H]1C[NH2+]CCOC1 ZINC000643616350 384006727 /nfs/dbraw/zinc/00/67/27/384006727.db2.gz RULCJIQGKJADLI-NSHDSACASA-N 1 0 240.347 1.061 10 0 BDAERO CCC(CC)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643616233 384007037 /nfs/dbraw/zinc/00/70/37/384007037.db2.gz OSOHSKJMWUWSJG-LBPRGKRZSA-N 1 0 228.336 1.060 10 0 BDAERO COC[C@]1(C(=O)N2CCC(C)CC2)CCC[NH2+]1 ZINC000643616455 384009046 /nfs/dbraw/zinc/00/90/46/384009046.db2.gz VMKGTIRZKTZGQS-ZDUSSCGKSA-N 1 0 240.347 1.014 10 0 BDAERO Cc1cccc(C)c1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643616908 384010945 /nfs/dbraw/zinc/01/09/45/384010945.db2.gz KUFFIVGSQDEUNC-LBPRGKRZSA-N 1 0 248.326 1.478 10 0 BDAERO c1cnn(CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114483341 384038329 /nfs/dbraw/zinc/03/83/29/384038329.db2.gz WYCYXQMKHFDZQX-ZDUSSCGKSA-N 1 0 245.330 1.833 10 0 BDAERO [NH3+][C@H]1CSC[C@@H]1Cc1cncs1 ZINC000156987193 384126299 /nfs/dbraw/zinc/12/62/99/384126299.db2.gz WFLZUOVVJBIJRI-XPUUQOCRSA-N 1 0 200.332 1.376 10 0 BDAERO Cc1c(OC(F)(F)F)ccnc1C(N)=[NH2+] ZINC000071186722 384154000 /nfs/dbraw/zinc/15/40/00/384154000.db2.gz BOGQJAYPFPIDIZ-UHFFFAOYSA-N 1 0 219.166 1.573 10 0 BDAERO [NH3+]CCc1nc2cccnc2n1-c1ccccc1 ZINC000008608351 384205977 /nfs/dbraw/zinc/20/59/77/384205977.db2.gz YIBBWBBKWSGCSJ-UHFFFAOYSA-N 1 0 238.294 1.922 10 0 BDAERO CCCN(C)C(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643629667 384191928 /nfs/dbraw/zinc/19/19/28/384191928.db2.gz VMPAYHNUAYJTSI-UHFFFAOYSA-N 1 0 242.363 1.261 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000282287660 384211206 /nfs/dbraw/zinc/21/12/06/384211206.db2.gz IRIJZTKAXHGKTB-IINYFYTJSA-N 1 0 244.338 1.411 10 0 BDAERO CC/C=C/CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282290950 384212491 /nfs/dbraw/zinc/21/24/91/384212491.db2.gz IZYHHKPDFNCMSL-BXXZLRJFSA-N 1 0 210.321 1.599 10 0 BDAERO CSCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000173675868 384254905 /nfs/dbraw/zinc/25/49/05/384254905.db2.gz LCDFYIYUQPRCTC-VXGBXAGGSA-N 1 0 246.420 1.126 10 0 BDAERO COc1cc(C[NH2+]Cc2cnn(C)c2C)ccn1 ZINC000093650271 384258815 /nfs/dbraw/zinc/25/88/15/384258815.db2.gz UMCILLWSHAFNNT-UHFFFAOYSA-N 1 0 246.314 1.422 10 0 BDAERO [NH3+]C[C@@H]1NCCc2cc(Br)ccc21 ZINC000097757605 384277729 /nfs/dbraw/zinc/27/77/29/384277729.db2.gz GZGHFWYCOLUXKN-JTQLQIEISA-N 1 0 241.132 1.595 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)N(C)CCCn1ccnc1 ZINC000119480576 384277630 /nfs/dbraw/zinc/27/76/30/384277630.db2.gz IHPSGTWDIPPMOV-MNOVXSKESA-N 1 0 236.319 1.323 10 0 BDAERO COCCC1(C(=O)NC2CCC2)CC[NH2+]CC1 ZINC000643640250 384262643 /nfs/dbraw/zinc/26/26/43/384262643.db2.gz IGFIGVDMROINLS-UHFFFAOYSA-N 1 0 240.347 1.061 10 0 BDAERO c1cc2c(c(N3CC[NH2+]CC3)c1)CCOC2 ZINC000083006413 384273631 /nfs/dbraw/zinc/27/36/31/384273631.db2.gz QCVLRUFXUHZUNB-UHFFFAOYSA-N 1 0 218.300 1.169 10 0 BDAERO O=C1CC[NH2+]C[C@@H]1c1nccc2[nH]ccc21 ZINC000074115640 384273673 /nfs/dbraw/zinc/27/36/73/384273673.db2.gz UIQQIDHETBLJQP-VIFPVBQESA-N 1 0 215.256 1.209 10 0 BDAERO C(NC1=[NH+]CCCS1)[C@@H]1CCOC1 ZINC000061147003 384311633 /nfs/dbraw/zinc/31/16/33/384311633.db2.gz LALMLAZSNSBPTN-QMMMGPOBSA-N 1 0 200.307 1.105 10 0 BDAERO CCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083550489 384311978 /nfs/dbraw/zinc/31/19/78/384311978.db2.gz IOGBLGQUOGJDSN-WDEREUQCSA-N 1 0 210.321 1.482 10 0 BDAERO Cc1nc(CN2C[C@H](C)[C@H]([NH3+])C2)oc1C ZINC000300048547 384285815 /nfs/dbraw/zinc/28/58/15/384285815.db2.gz LBUZHLWJFGAXTI-OIBJUYFYSA-N 1 0 209.293 1.070 10 0 BDAERO CCCC[N@H+](CCO)C[C@H](O)C(C)(C)C ZINC000308801481 384300577 /nfs/dbraw/zinc/30/05/77/384300577.db2.gz MSUJEQLBQRESLM-NSHDSACASA-N 1 0 217.353 1.488 10 0 BDAERO Cc1cnc(OCC2CC[NH2+]CC2)nc1Cl ZINC000095069353 384335230 /nfs/dbraw/zinc/33/52/30/384335230.db2.gz QAAIZHGSSKNYAB-UHFFFAOYSA-N 1 0 241.722 1.817 10 0 BDAERO Clc1ccc(COC[C@H]2CCC[NH2+]2)nn1 ZINC000095070498 384336471 /nfs/dbraw/zinc/33/64/71/384336471.db2.gz OCWWXXVTXCROQP-MRVPVSSYSA-N 1 0 227.695 1.399 10 0 BDAERO Clc1nccc(SC[C@H]2CCC[NH2+]2)n1 ZINC000095070182 384336476 /nfs/dbraw/zinc/33/64/76/384336476.db2.gz BYUOXQHCCLNYFS-SSDOTTSWSA-N 1 0 229.736 1.974 10 0 BDAERO Clc1nccc(CNC[C@H]2CCCC[NH2+]2)n1 ZINC000095070302 384336716 /nfs/dbraw/zinc/33/67/16/384336716.db2.gz IAPYKVFIHHRYAG-SECBINFHSA-N 1 0 240.738 1.362 10 0 BDAERO Clc1ccc(COC[C@H]2CC[NH2+]C2)nn1 ZINC000095070500 384337259 /nfs/dbraw/zinc/33/72/59/384337259.db2.gz XCPOTRWQPFORBI-QMMMGPOBSA-N 1 0 227.695 1.256 10 0 BDAERO Cn1c2ccccc2nc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000335576303 384337545 /nfs/dbraw/zinc/33/75/45/384337545.db2.gz BDVLRICBUCDOGZ-GHMZBOCLSA-N 1 0 244.342 1.535 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1ncc(F)cn1 ZINC000095070797 384338605 /nfs/dbraw/zinc/33/86/05/384338605.db2.gz IEBWGJYSNODTDW-SNVBAGLBSA-N 1 0 224.283 1.194 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)C(=O)c1cccs1 ZINC000095070755 384338621 /nfs/dbraw/zinc/33/86/21/384338621.db2.gz OANYXYIPBXIXSH-SNVBAGLBSA-N 1 0 238.356 1.962 10 0 BDAERO CN(CC(=O)c1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000095071138 384339173 /nfs/dbraw/zinc/33/91/73/384339173.db2.gz XNBGWMGKDDZTJP-GFCCVEGCSA-N 1 0 247.342 1.196 10 0 BDAERO CSc1nccc(S[C@H]2CC[NH2+]C2)n1 ZINC000095071803 384340519 /nfs/dbraw/zinc/34/05/19/384340519.db2.gz FOTLRDPXUUYZBS-ZETCQYMHSA-N 1 0 227.358 1.653 10 0 BDAERO C[NH2+][C@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000095071436 384341132 /nfs/dbraw/zinc/34/11/32/384341132.db2.gz DZXODVMDYKEMPB-QMMMGPOBSA-N 1 0 226.711 1.318 10 0 BDAERO C[NH2+][C@H]1CCCN(c2cc(C)nc(Cl)n2)C1 ZINC000095071425 384341825 /nfs/dbraw/zinc/34/18/25/384341825.db2.gz RTINJOWNWVPTOM-VIFPVBQESA-N 1 0 240.738 1.627 10 0 BDAERO Nc1nc2ccccc2nc1N1CCC[C@@H]1C[NH3+] ZINC000095072606 384343327 /nfs/dbraw/zinc/34/33/27/384343327.db2.gz REISTLQSKCFNPK-SECBINFHSA-N 1 0 243.314 1.140 10 0 BDAERO Nc1nc2ccccc2nc1OC[C@H]1CC[NH2+]C1 ZINC000095072191 384343697 /nfs/dbraw/zinc/34/36/97/384343697.db2.gz HWTGNBGETNRWQJ-VIFPVBQESA-N 1 0 244.298 1.200 10 0 BDAERO [NH3+]C[C@@H]1CCCN1Cc1cnc(Cl)s1 ZINC000095072639 384343707 /nfs/dbraw/zinc/34/37/07/384343707.db2.gz KHSQWTAGLRRCJV-ZETCQYMHSA-N 1 0 231.752 1.720 10 0 BDAERO O=C(CNC[C@H]1CC[NH2+]C1)c1cccs1 ZINC000095072808 384344805 /nfs/dbraw/zinc/34/48/05/384344805.db2.gz NCCSURUIXNEFSZ-VIFPVBQESA-N 1 0 224.329 1.130 10 0 BDAERO O=C(COCC1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095072905 384344959 /nfs/dbraw/zinc/34/49/59/384344959.db2.gz MKXJDMDDQDFRBL-UHFFFAOYSA-N 1 0 222.288 1.214 10 0 BDAERO O=C(COC[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000095072891 384345210 /nfs/dbraw/zinc/34/52/10/384345210.db2.gz LXCYWKCIFIVPBI-SECBINFHSA-N 1 0 240.328 1.342 10 0 BDAERO O=C(COCCC1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095072935 384345408 /nfs/dbraw/zinc/34/54/08/384345408.db2.gz SZYSPRVDFPPLOR-UHFFFAOYSA-N 1 0 236.315 1.604 10 0 BDAERO O=C(CN[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000095072736 384346262 /nfs/dbraw/zinc/34/62/62/384346262.db2.gz GTTBXBYZQPCXJH-SECBINFHSA-N 1 0 224.329 1.272 10 0 BDAERO O=[S@@](Cc1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000095073635 384347493 /nfs/dbraw/zinc/34/74/93/384347493.db2.gz RBOGTFXHDYMKQG-BLLLJJGKSA-N 1 0 238.356 1.330 10 0 BDAERO FC(F)(F)N(C1CC1)[C@H]1CCC[NH2+]C1 ZINC000095076910 384353897 /nfs/dbraw/zinc/35/38/97/384353897.db2.gz LWIKUVSTCQAXST-QMMMGPOBSA-N 1 0 208.227 1.723 10 0 BDAERO c1cnc2[nH]c(NC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092612 384363223 /nfs/dbraw/zinc/36/32/23/384363223.db2.gz LTZUWVZZSILOAL-SECBINFHSA-N 1 0 231.303 1.512 10 0 BDAERO c1cnc(OCCC[C@@H]2CCCC[NH2+]2)cn1 ZINC000095092522 384363810 /nfs/dbraw/zinc/36/38/10/384363810.db2.gz KGHIZIUETQGAON-NSHDSACASA-N 1 0 221.304 1.778 10 0 BDAERO Cc1csc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000335596271 384364074 /nfs/dbraw/zinc/36/40/74/384364074.db2.gz HJPNOGDWYICGCG-BDAKNGLRSA-N 1 0 239.344 1.778 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1nccs1 ZINC000335598894 384369808 /nfs/dbraw/zinc/36/98/08/384369808.db2.gz ZGJNVQANBRRCLV-IUCAKERBSA-N 1 0 239.344 1.147 10 0 BDAERO [NH3+]CCc1n[nH]c2ccc(Br)cc21 ZINC000044399260 384330964 /nfs/dbraw/zinc/33/09/64/384330964.db2.gz UEQSEVSNNFGGMS-UHFFFAOYSA-N 1 0 240.104 1.827 10 0 BDAERO Cc1ccnc([S@@](=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000095069217 384331933 /nfs/dbraw/zinc/33/19/33/384331933.db2.gz XGPHPUTZZSDQCA-BDJLRTHQSA-N 1 0 238.356 1.640 10 0 BDAERO Clc1ccc(SC[C@H]2CCC[NH2+]2)nn1 ZINC000095069984 384334958 /nfs/dbraw/zinc/33/49/58/384334958.db2.gz XXRPPEUHKZSLFT-SSDOTTSWSA-N 1 0 229.736 1.974 10 0 BDAERO C[C@@H]([NH2+]CC(=O)NC1CC1)c1cccs1 ZINC000035133058 384399353 /nfs/dbraw/zinc/39/93/53/384399353.db2.gz XCYXVGMTOLUVLH-MRVPVSSYSA-N 1 0 224.329 1.677 10 0 BDAERO [NH3+][C@@H]1CCCc2cn(CC(F)(F)F)nc21 ZINC000095829228 384399328 /nfs/dbraw/zinc/39/93/28/384399328.db2.gz ANSGDWDSGHKSPN-SSDOTTSWSA-N 1 0 219.210 1.782 10 0 BDAERO O=S(=O)(Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC000095908541 384405842 /nfs/dbraw/zinc/40/58/42/384405842.db2.gz UPTFTABQMMUYOM-LBPRGKRZSA-N 1 0 239.340 1.353 10 0 BDAERO Cc1sc(Br)nc1C[NH3+] ZINC000095930294 384409900 /nfs/dbraw/zinc/40/99/00/384409900.db2.gz COIDBZFWKYGOML-UHFFFAOYSA-N 1 0 207.096 1.673 10 0 BDAERO C[NH2+][C@H]1Cc2ccccc2N(C(C)=O)C1 ZINC000616673139 384412019 /nfs/dbraw/zinc/41/20/19/384412019.db2.gz WCOVFJYGHKSINZ-NSHDSACASA-N 1 0 204.273 1.184 10 0 BDAERO Nc1[nH+]c2ccccc2n1CC1(CO)CCC1 ZINC000096032582 384422295 /nfs/dbraw/zinc/42/22/95/384422295.db2.gz WMPXLLWDDAWPSH-UHFFFAOYSA-N 1 0 231.299 1.781 10 0 BDAERO Cn1cccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084223441 384379799 /nfs/dbraw/zinc/37/97/99/384379799.db2.gz QAVRDKUOIDHUSJ-JQWIXIFHSA-N 1 0 208.305 1.276 10 0 BDAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000334188229 384381846 /nfs/dbraw/zinc/38/18/46/384381846.db2.gz GDFUHXMDHGPPKV-ZJUUUORDSA-N 1 0 208.305 1.187 10 0 BDAERO Cn1cc(Cl)c(CN[C@@H]2CCC[NH2+]CC2)n1 ZINC000335615168 384389807 /nfs/dbraw/zinc/38/98/07/384389807.db2.gz CLGMXLVYTWFOEK-SECBINFHSA-N 1 0 242.754 1.305 10 0 BDAERO Cc1ccnc(N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000335657239 384457334 /nfs/dbraw/zinc/45/73/34/384457334.db2.gz PEZYEWHULDGFSR-MNOVXSKESA-N 1 0 205.305 1.800 10 0 BDAERO FC1(F)CCCC[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000335662169 384467616 /nfs/dbraw/zinc/46/76/16/384467616.db2.gz ITTWREWQLMOMAF-VHSXEESVSA-N 1 0 218.291 1.763 10 0 BDAERO COCCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000148917814 384472118 /nfs/dbraw/zinc/47/21/18/384472118.db2.gz AUXQZRDDAKVTFL-UHFFFAOYSA-N 1 0 240.347 1.110 10 0 BDAERO C[C@H]([NH3+])[C@@H](O)Cc1cccc(Br)c1 ZINC000096985929 384485695 /nfs/dbraw/zinc/48/56/95/384485695.db2.gz SEWGHWTYHOOGIV-XVKPBYJWSA-N 1 0 244.132 1.700 10 0 BDAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCNC1=O)CC2 ZINC000149389423 384476861 /nfs/dbraw/zinc/47/68/61/384476861.db2.gz VMGCDXBIQBAIII-UONOGXRCSA-N 1 0 244.338 1.851 10 0 BDAERO Cc1cnccc1CC[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000335664042 384479367 /nfs/dbraw/zinc/47/93/67/384479367.db2.gz SAJFGRAZRRIGSQ-JSGCOSHPSA-N 1 0 234.343 1.778 10 0 BDAERO CS(=O)(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000054930078 384511564 /nfs/dbraw/zinc/51/15/64/384511564.db2.gz XTRUJWDPLTWSRF-IUCAKERBSA-N 1 0 205.323 1.081 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CCCCCC1 ZINC000335823177 384499738 /nfs/dbraw/zinc/49/97/38/384499738.db2.gz OOEUUUHSLBKGOM-CMPLNLGQSA-N 1 0 224.348 1.966 10 0 BDAERO Cc1ncsc1CC[N@@H+]1CC[C@H](CCO)C1 ZINC000161611579 384507350 /nfs/dbraw/zinc/50/73/50/384507350.db2.gz NQYQFNXCGMQZGA-LLVKDONJSA-N 1 0 240.372 1.698 10 0 BDAERO CC[C@](C)(C[NH2+]C[C@@H]1CCC[C@@H]1O)OC ZINC000319834823 384509079 /nfs/dbraw/zinc/50/90/79/384509079.db2.gz JKILGDAEUAVIPJ-SDDRHHMPSA-N 1 0 215.337 1.552 10 0 BDAERO Cc1cccc(C[N@@H+]2CC[C@@H](CCO)C2)n1 ZINC000161618988 384511183 /nfs/dbraw/zinc/51/11/83/384511183.db2.gz JAXXPGHQISLPFC-LBPRGKRZSA-N 1 0 220.316 1.594 10 0 BDAERO C[C@H](CCO)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085128482 384492629 /nfs/dbraw/zinc/49/26/29/384492629.db2.gz BGYJJVQXZIEAHA-RHYQMDGZSA-N 1 0 227.348 1.408 10 0 BDAERO CCSCC[NH2+][C@@H]1CCc2nccn2C1 ZINC000372468486 384515404 /nfs/dbraw/zinc/51/54/04/384515404.db2.gz HWZZWJOMLRHFAL-SNVBAGLBSA-N 1 0 225.361 1.541 10 0 BDAERO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000123118734 384536372 /nfs/dbraw/zinc/53/63/72/384536372.db2.gz PBXXVCOJZORQLK-JSGCOSHPSA-N 1 0 246.354 1.953 10 0 BDAERO Cc1n[nH]cc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085636166 384551358 /nfs/dbraw/zinc/55/13/58/384551358.db2.gz NTMOWIAGZSZFQT-SRVKXCTJSA-N 1 0 235.331 1.621 10 0 BDAERO c1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCSC1 ZINC000309714443 384557045 /nfs/dbraw/zinc/55/70/45/384557045.db2.gz YGDOCJONNLXZLH-VHSXEESVSA-N 1 0 238.360 1.456 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400641311 384558007 /nfs/dbraw/zinc/55/80/07/384558007.db2.gz SFVOFKOKCHRNGL-SDDRHHMPSA-N 1 0 240.347 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/nfs/dbraw/zinc/13/29/43/385132943.db2.gz SCULRCIFMYRFNM-PSASIEDQSA-N 1 0 246.301 1.821 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cccc(C)c2)C1 ZINC000310498947 385091745 /nfs/dbraw/zinc/09/17/45/385091745.db2.gz IUIHLAZMQGTLTN-KBPBESRZSA-N 1 0 235.327 1.577 10 0 BDAERO O=C(CCc1ccccc1O)NC[C@H]1CC[NH2+]C1 ZINC000646967364 385094010 /nfs/dbraw/zinc/09/40/10/385094010.db2.gz KOLTXTIRAWUCJM-NSHDSACASA-N 1 0 248.326 1.051 10 0 BDAERO CCCCCC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000308820706 385191408 /nfs/dbraw/zinc/19/14/08/385191408.db2.gz GLGHOONDGQCOSM-NWDGAFQWSA-N 1 0 215.337 1.648 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2(CCO)CC2)[C@H]2CCO[C@@H]21 ZINC000157501067 385202251 /nfs/dbraw/zinc/20/22/51/385202251.db2.gz SRPQXPVUBQRAHC-UTUOFQBUSA-N 1 0 239.359 1.552 10 0 BDAERO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)[C@H]1CCCO1 ZINC000279791593 385202189 /nfs/dbraw/zinc/20/21/89/385202189.db2.gz VLNZNZBWMOZIBM-MRVWCRGKSA-N 1 0 235.327 1.877 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000408048175 385170291 /nfs/dbraw/zinc/17/02/91/385170291.db2.gz VUPPTFOFIIZCNH-ZYHUDNBSSA-N 1 0 239.319 1.328 10 0 BDAERO [NH3+][C@H]1CCCN(c2cc(C3CC3)[nH]n2)C1 ZINC000129675474 385174134 /nfs/dbraw/zinc/17/41/34/385174134.db2.gz VPOVNFOAVFEAPW-VIFPVBQESA-N 1 0 206.293 1.215 10 0 BDAERO C#CC[NH2+][C@@H]1CCc2cccc(OC)c2C1 ZINC000148123199 385180113 /nfs/dbraw/zinc/18/01/13/385180113.db2.gz DQDYPMRJCJXOMF-GFCCVEGCSA-N 1 0 215.296 1.775 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000177309043 385218916 /nfs/dbraw/zinc/21/89/16/385218916.db2.gz OOYMYIMGQPNHTH-YPMHNXCESA-N 1 0 246.358 1.834 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])c2ccsc2S1(=O)=O ZINC000307617942 385249995 /nfs/dbraw/zinc/24/99/95/385249995.db2.gz XOSMBAIDAZWPRP-VDTYLAMSSA-N 1 0 217.315 1.314 10 0 BDAERO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CNC(=O)O1 ZINC000309182471 385202668 /nfs/dbraw/zinc/20/26/68/385202668.db2.gz NZMOBSNKHKCOSA-OPRDCNLKSA-N 1 0 212.293 1.263 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000311068996 385302964 /nfs/dbraw/zinc/30/29/64/385302964.db2.gz CRIQDRVIYRNCJE-GJZGRUSLSA-N 1 0 249.354 1.885 10 0 BDAERO Cc1ccc(C)c(-n2cc(C[NH3+])nn2)c1 ZINC000050224124 385311269 /nfs/dbraw/zinc/31/12/69/385311269.db2.gz RLCXLZNIHAPKOJ-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO [NH3+]Cc1cn(-c2cccc(Cl)c2F)nn1 ZINC000050224136 385312932 /nfs/dbraw/zinc/31/29/32/385312932.db2.gz FEFOQSIOVJCNOK-UHFFFAOYSA-N 1 0 226.642 1.519 10 0 BDAERO [NH3+]CCc1cnn(Cc2cccc(F)c2)c1 ZINC000054740832 385319872 /nfs/dbraw/zinc/31/98/72/385319872.db2.gz CFSYGCYUNSEVKQ-UHFFFAOYSA-N 1 0 219.263 1.572 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](C[C@H]3CCCCO3)C2)cn1 ZINC000246983785 385268467 /nfs/dbraw/zinc/26/84/67/385268467.db2.gz LADFQCYBXQZUHS-GXTWGEPZSA-N 1 0 249.358 1.779 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052270666 385271090 /nfs/dbraw/zinc/27/10/90/385271090.db2.gz UABMFDDXPJPJDQ-SKDRFNHKSA-N 1 0 219.284 1.971 10 0 BDAERO CC(C)n1nccc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000280172510 385273742 /nfs/dbraw/zinc/27/37/42/385273742.db2.gz GETVPDSRXYCKLA-PWSUYJOCSA-N 1 0 223.320 1.731 10 0 BDAERO CCOCc1cn(CCC2CC[NH2+]CC2)nn1 ZINC000409423540 385331667 /nfs/dbraw/zinc/33/16/67/385331667.db2.gz CDOWDOGVYHJTQS-UHFFFAOYSA-N 1 0 238.335 1.204 10 0 BDAERO CSCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247437067 385337726 /nfs/dbraw/zinc/33/77/26/385337726.db2.gz ZIEBRQJTCBPLEA-JTQLQIEISA-N 1 0 200.351 1.129 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644017493 385382257 /nfs/dbraw/zinc/38/22/57/385382257.db2.gz UKUUQBAPIORICC-IUCAKERBSA-N 1 0 234.290 1.392 10 0 BDAERO Cc1nc(CN(C)C(=O)[C@H](C)[C@@H](C)[NH3+])cs1 ZINC000165392739 385386165 /nfs/dbraw/zinc/38/61/65/385386165.db2.gz GMBGUGJSERMYKC-HTQZYQBOSA-N 1 0 241.360 1.393 10 0 BDAERO COC[C@]12CN(CC(=[NH2+])NO)C[C@H]1CCCC2 ZINC000409428911 385327379 /nfs/dbraw/zinc/32/73/79/385327379.db2.gz GYSWKIOTPULINP-PWSUYJOCSA-N 1 0 241.335 1.081 10 0 BDAERO CC[C@H](C)C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000093054754 385400949 /nfs/dbraw/zinc/40/09/49/385400949.db2.gz QYPIMMVDJRJKMX-NWDGAFQWSA-N 1 0 214.353 1.343 10 0 BDAERO COCc1noc([C@@H](C)[NH2+][C@@H](C)C(C)C)n1 ZINC000181325518 385405839 /nfs/dbraw/zinc/40/58/39/385405839.db2.gz NPKKGRLEXPGROJ-DTWKUNHWSA-N 1 0 227.308 1.911 10 0 BDAERO C[C@H]([NH3+])C[C@H](C)Nc1ncc(Cl)cn1 ZINC000165727705 385412376 /nfs/dbraw/zinc/41/23/76/385412376.db2.gz ZWYHHKFZKKWCLK-BQBZGAKWSA-N 1 0 214.700 1.668 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]Cc2nccs2)CN1C ZINC000155831114 385417081 /nfs/dbraw/zinc/41/70/81/385417081.db2.gz WAOLHCGYMKLVIA-RKDXNWHRSA-N 1 0 211.334 1.325 10 0 BDAERO COC(=O)[C@H](N)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000169726797 385418496 /nfs/dbraw/zinc/41/84/96/385418496.db2.gz FCTACNBDFVWBLA-GMSGAONNSA-N 1 0 243.690 1.608 10 0 BDAERO COC(=O)[C@@H](N)[C@@H](C)Oc1ccccc1F ZINC000169726733 385418998 /nfs/dbraw/zinc/41/89/98/385418998.db2.gz JFMXGMRORDTAKF-XCBNKYQSSA-N 1 0 227.235 1.093 10 0 BDAERO Cc1ccc(N[C@@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000309159191 385440849 /nfs/dbraw/zinc/44/08/49/385440849.db2.gz YETGCZSJNJMABJ-BXKDBHETSA-N 1 0 205.305 1.752 10 0 BDAERO Cc1ccc(N[C@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000309159200 385441904 /nfs/dbraw/zinc/44/19/04/385441904.db2.gz YETGCZSJNJMABJ-SKDRFNHKSA-N 1 0 205.305 1.752 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ccco2)C1 ZINC000170858293 385451275 /nfs/dbraw/zinc/45/12/75/385451275.db2.gz PACQCOUIIHISEF-LLVKDONJSA-N 1 0 236.315 1.375 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000378665144 385457397 /nfs/dbraw/zinc/45/73/97/385457397.db2.gz FPDVTTNXKMRAQX-BWZBUEFSSA-N 1 0 227.226 1.067 10 0 BDAERO CC(C)OCC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762363 385467659 /nfs/dbraw/zinc/46/76/59/385467659.db2.gz UIFJBUMIGQBPAU-GFCCVEGCSA-N 1 0 215.337 1.648 10 0 BDAERO C[NH+](C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000171250534 385475723 /nfs/dbraw/zinc/47/57/23/385475723.db2.gz ARYXSTYFDYIUHC-LLVKDONJSA-N 1 0 234.299 1.188 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccncc1Cl ZINC000309201267 385476674 /nfs/dbraw/zinc/47/66/74/385476674.db2.gz LJRGFPIZDHHHHJ-XCBNKYQSSA-N 1 0 239.706 1.297 10 0 BDAERO Cc1n[nH]c(C)c1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257678127 385484548 /nfs/dbraw/zinc/48/45/48/385484548.db2.gz KGYBQBKEQDQUKP-ZDUSSCGKSA-N 1 0 234.347 1.354 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000295157491 385464428 /nfs/dbraw/zinc/46/44/28/385464428.db2.gz KEHTWPLFTAYBRX-SDDRHHMPSA-N 1 0 223.320 1.347 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccs1 ZINC000282054533 385491986 /nfs/dbraw/zinc/49/19/86/385491986.db2.gz BEIVKFZJNTTWQD-WCBMZHEXSA-N 1 0 224.329 1.505 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC2CCCC2)C1 ZINC000309257250 385502569 /nfs/dbraw/zinc/50/25/69/385502569.db2.gz GVAAXDSAMDOTOC-QWHCGFSZSA-N 1 0 227.348 1.648 10 0 BDAERO CC[C@H]([NH3+])[C@H](O)c1ccc(OC)c(O)c1 ZINC000036779151 385530129 /nfs/dbraw/zinc/53/01/29/385530129.db2.gz HFRAQEUMGOCMEK-GZMMTYOYSA-N 1 0 211.261 1.172 10 0 BDAERO C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308514437 259669687 /nfs/dbraw/zinc/66/96/87/259669687.db2.gz DOASVQCVOUHHTO-LPEHRKFASA-N 1 0 203.326 1.142 10 0 BDAERO Cn1c2ccccc2nc1N1CCC(C)([NH3+])CC1 ZINC000643028528 385523827 /nfs/dbraw/zinc/52/38/27/385523827.db2.gz NMENANKSDGDBNI-UHFFFAOYSA-N 1 0 244.342 1.891 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)C1CC1 ZINC000336733011 385566082 /nfs/dbraw/zinc/56/60/82/385566082.db2.gz LZFWGRAZKXGUGZ-DVVUODLYSA-N 1 0 210.321 1.432 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000054074531 385597099 /nfs/dbraw/zinc/59/70/99/385597099.db2.gz UMLJSPBWAOJVML-GHMZBOCLSA-N 1 0 220.316 1.780 10 0 BDAERO CCSCC[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000308550288 385578870 /nfs/dbraw/zinc/57/88/70/385578870.db2.gz XFLDXOBCRVUNQY-MNOVXSKESA-N 1 0 216.394 1.669 10 0 BDAERO CO[C@H](C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000309460593 385591594 /nfs/dbraw/zinc/59/15/94/385591594.db2.gz NTPBSNYRINXOJY-DDHJBXDOSA-N 1 0 227.348 1.815 10 0 BDAERO Cc1n[nH]c(C)c1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306116 385615338 /nfs/dbraw/zinc/61/53/38/385615338.db2.gz XLEFBYDKFCVDLP-SNVBAGLBSA-N 1 0 236.319 1.355 10 0 BDAERO CSCC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000309492393 385622682 /nfs/dbraw/zinc/62/26/82/385622682.db2.gz SNKYNESDNNHFRT-GXSJLCMTSA-N 1 0 228.361 1.079 10 0 BDAERO CO[C@H](C)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000182177868 385639628 /nfs/dbraw/zinc/63/96/28/385639628.db2.gz JBBBEMHIJPLLQH-MNOVXSKESA-N 1 0 223.320 1.244 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H]1CCCO1 ZINC000336683246 385646878 /nfs/dbraw/zinc/64/68/78/385646878.db2.gz JRRCWMANBHZNMT-HBNTYKKESA-N 1 0 215.337 1.551 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1CC2(CCC2)C1 ZINC000335470472 385687679 /nfs/dbraw/zinc/68/76/79/385687679.db2.gz ONDJIRHTBFGFDF-GXSJLCMTSA-N 1 0 222.332 1.515 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCCCO)C1(C)C ZINC000309588930 385717796 /nfs/dbraw/zinc/71/77/96/385717796.db2.gz TZBQYIKSBSIVNE-QJPTWQEYSA-N 1 0 229.364 1.798 10 0 BDAERO [NH3+][C@H]1COc2c(Cl)cc(Cl)cc2[C@@H]1O ZINC000211939832 385700346 /nfs/dbraw/zinc/70/03/46/385700346.db2.gz UCGVHYJDMIEGIJ-YUMQZZPRSA-N 1 0 234.082 1.747 10 0 BDAERO CCCC(CCC)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000336692017 385730907 /nfs/dbraw/zinc/73/09/07/385730907.db2.gz XFCDSVAMGWKRQU-PWSUYJOCSA-N 1 0 214.353 1.125 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)C1CC1 ZINC000122706935 385748925 /nfs/dbraw/zinc/74/89/25/385748925.db2.gz LTJCGRISOMYRFJ-SCZZXKLOSA-N 1 0 206.293 1.501 10 0 BDAERO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)C(C)(C)C ZINC000309620003 385752562 /nfs/dbraw/zinc/75/25/62/385752562.db2.gz CYNDYWCTTSCSLP-GVXVVHGQSA-N 1 0 229.364 1.941 10 0 BDAERO CC[C@H](C[NH2+]Cc1c(C)nn(C)c1OC)OC ZINC000289919817 385723746 /nfs/dbraw/zinc/72/37/46/385723746.db2.gz VIOVUKBSWBWBAU-SNVBAGLBSA-N 1 0 241.335 1.252 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)COC(C)C)c1 ZINC000336743782 385797842 /nfs/dbraw/zinc/79/78/42/385797842.db2.gz PODVDYTWEYCOBC-LBPRGKRZSA-N 1 0 225.336 1.595 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000186937610 385818817 /nfs/dbraw/zinc/81/88/17/385818817.db2.gz COKOHEZWRLTNGY-QWRGUYRKSA-N 1 0 247.404 1.834 10 0 BDAERO CCN1CCC[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000336725008 385824142 /nfs/dbraw/zinc/82/41/42/385824142.db2.gz BOJKISBOHQHVIZ-LBPRGKRZSA-N 1 0 228.380 1.733 10 0 BDAERO CSC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000308300450 385838491 /nfs/dbraw/zinc/83/84/91/385838491.db2.gz KCNFNMPZFGLOHV-IVZWLZJFSA-N 1 0 201.335 1.195 10 0 BDAERO CO[C@@H]1COCC[C@]12[NH2+]C[C@H](C)CS2 ZINC000307314297 385848820 /nfs/dbraw/zinc/84/88/20/385848820.db2.gz VIZPYMGSBJGDBW-IVZWLZJFSA-N 1 0 217.334 1.091 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1c1ccc(C)cc1 ZINC000215988862 385855376 /nfs/dbraw/zinc/85/53/76/385855376.db2.gz ROFCTNBPHUFVEO-CHWSQXEVSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@H]1c1ccccc1C ZINC000215985809 385855742 /nfs/dbraw/zinc/85/57/42/385855742.db2.gz VNDFJTYDGPQLKN-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO CC(C)n1cc(C[NH2+]C[C@H]2CCC[C@@H]2O)nn1 ZINC000336707396 385794197 /nfs/dbraw/zinc/79/41/97/385794197.db2.gz NKQOOWIOZBLPIE-PWSUYJOCSA-N 1 0 238.335 1.110 10 0 BDAERO CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000231354547 385796276 /nfs/dbraw/zinc/79/62/76/385796276.db2.gz NKJBHGKTTHVRFF-SNVBAGLBSA-N 1 0 237.372 1.717 10 0 BDAERO CCOC(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000260548481 385900711 /nfs/dbraw/zinc/90/07/11/385900711.db2.gz SNPUVSUVVISZTM-JTQLQIEISA-N 1 0 219.284 1.940 10 0 BDAERO C[C@@H]1CC[C@@H](N2CC[C@@H]([NH3+])C2)CS1 ZINC000575535753 385908454 /nfs/dbraw/zinc/90/84/54/385908454.db2.gz ZRWDBFCCARPHJV-OPRDCNLKSA-N 1 0 200.351 1.304 10 0 BDAERO COc1ncc(C[NH2+][C@@H]2CCO[C@H]2C)s1 ZINC000309007772 385932930 /nfs/dbraw/zinc/93/29/30/385932930.db2.gz NULMRKKLBNYUOI-IONNQARKSA-N 1 0 228.317 1.419 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(Cl)nn1 ZINC000307132598 385937306 /nfs/dbraw/zinc/93/73/06/385937306.db2.gz HCNYJVDYFSVCIY-PHDIDXHHSA-N 1 0 200.673 1.278 10 0 BDAERO [NH3+][C@H](CO)c1c(F)c(F)c(F)c(F)c1F ZINC000072198593 385974100 /nfs/dbraw/zinc/97/41/00/385974100.db2.gz KQOBAWYLBVACAS-UWTATZPHSA-N 1 0 227.132 1.374 10 0 BDAERO C[C@H]1SCC[C@@]1([NH3+])Cc1cncs1 ZINC000575561188 386021956 /nfs/dbraw/zinc/02/19/56/386021956.db2.gz OZPNGVDUIZDLCK-VXNVDRBHSA-N 1 0 214.359 1.909 10 0 BDAERO COC[C@H](N[C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000397228909 386054642 /nfs/dbraw/zinc/05/46/42/386054642.db2.gz DQMNKBRHHDRHPN-DLOVCJGASA-N 1 0 212.337 1.142 10 0 BDAERO C[NH2+][C@](C)(CO)c1ccccc1Br ZINC000038121082 386123573 /nfs/dbraw/zinc/12/35/73/386123573.db2.gz GTUFNYVZJJBDBG-SNVBAGLBSA-N 1 0 244.132 1.876 10 0 BDAERO C[C@H]([NH3+])Cc1noc(-c2ccsc2)n1 ZINC000054161379 386115513 /nfs/dbraw/zinc/11/55/13/386115513.db2.gz INOIECFXAFMIME-LURJTMIESA-N 1 0 209.274 1.688 10 0 BDAERO C[C@H]1[C@@H](C)[N@@H+](C2CSC2)CC[C@@H]1[NH3+] ZINC000575565184 386060912 /nfs/dbraw/zinc/06/09/12/386060912.db2.gz GFUHQETXYAVSIY-XKSSXDPKSA-N 1 0 200.351 1.159 10 0 BDAERO CC[N@H+](CCO)CCNc1nc2ccccc2o1 ZINC000274396215 386099759 /nfs/dbraw/zinc/09/97/59/386099759.db2.gz LVNPBSSADRWAKH-UHFFFAOYSA-N 1 0 249.314 1.554 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000414679818 386162167 /nfs/dbraw/zinc/16/21/67/386162167.db2.gz XJIIJNCJYQUGGX-VIFPVBQESA-N 1 0 249.314 1.619 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1c1ncnc2c1CCCC2 ZINC000310372902 386181291 /nfs/dbraw/zinc/18/12/91/386181291.db2.gz OJTAHJHAIJEWHN-KOLCDFICSA-N 1 0 232.331 1.281 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000224454577 386139151 /nfs/dbraw/zinc/13/91/51/386139151.db2.gz AVNMEPYJPKSPKN-KXUCPTDWSA-N 1 0 201.335 1.507 10 0 BDAERO O=C(C1C[NH2+]C1)N1CCC2(CCCCC2)CC1 ZINC000091415189 386297780 /nfs/dbraw/zinc/29/77/80/386297780.db2.gz MKRDFIWJGQOIKP-UHFFFAOYSA-N 1 0 236.359 1.779 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccon3)C[C@H]2C1 ZINC000425527824 386319898 /nfs/dbraw/zinc/31/98/98/386319898.db2.gz ODFKYWHRLQYUTN-CKYFFXLPSA-N 1 0 222.288 1.267 10 0 BDAERO [NH3+][C@H](Cc1cccs1)c1cncnc1 ZINC000052900387 386340947 /nfs/dbraw/zinc/34/09/47/386340947.db2.gz QSDLLERMUQHOAL-SNVBAGLBSA-N 1 0 205.286 1.781 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCCn2ncnc21)C1CC1 ZINC000164819092 386328453 /nfs/dbraw/zinc/32/84/53/386328453.db2.gz GNMBYOBHDFVLSE-QWRGUYRKSA-N 1 0 236.319 1.128 10 0 BDAERO C[C@H](O)CCC[NH+]1[C@H](C)COC[C@H]1C ZINC000336681072 386330353 /nfs/dbraw/zinc/33/03/53/386330353.db2.gz HGJVNZLZGUMGQG-MXWKQRLJSA-N 1 0 201.310 1.257 10 0 BDAERO CSC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000188259809 386334569 /nfs/dbraw/zinc/33/45/69/386334569.db2.gz PYZPOTVJFOPOCB-ZJUUUORDSA-N 1 0 229.345 1.963 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NCc2nc(C)c(C)[nH]2)C1 ZINC000519427007 386442978 /nfs/dbraw/zinc/44/29/78/386442978.db2.gz VTVXGRVFNXQXOA-GFCCVEGCSA-N 1 0 236.363 1.600 10 0 BDAERO Cc1ccccc1[C@]1(O)C[N@@H+](C)C[C@H]1C ZINC000521400955 386449504 /nfs/dbraw/zinc/44/95/04/386449504.db2.gz DCXUMIQCJHKEAO-YPMHNXCESA-N 1 0 205.301 1.764 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCC1CCOCC1 ZINC000399267384 386473564 /nfs/dbraw/zinc/47/35/64/386473564.db2.gz VYTANBQSMLVYSO-WCQYABFASA-N 1 0 227.348 1.648 10 0 BDAERO [NH3+]C[C@H]1CCCN1C(=O)C1CC2(CCC2)C1 ZINC000335441534 386501768 /nfs/dbraw/zinc/50/17/68/386501768.db2.gz DCMTYCHBMIMCOA-LLVKDONJSA-N 1 0 222.332 1.516 10 0 BDAERO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[C@H](O)C1 ZINC000647971550 386506974 /nfs/dbraw/zinc/50/69/74/386506974.db2.gz NRUFHGJTOJVAKW-NDBYEHHHSA-N 1 0 237.343 1.733 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278357557 386513946 /nfs/dbraw/zinc/51/39/46/386513946.db2.gz ILCCGLDXPWRKNE-SVRRBLITSA-N 1 0 244.136 1.681 10 0 BDAERO Cc1ccc([C@]2(O)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000521401428 386455642 /nfs/dbraw/zinc/45/56/42/386455642.db2.gz HKXFGXPZJDCKIZ-AAEUAGOBSA-N 1 0 205.301 1.764 10 0 BDAERO C[C@H]1OCC[C@@H]1Nc1cc(N2CCCC2)ncn1 ZINC000277712664 386461234 /nfs/dbraw/zinc/46/12/34/386461234.db2.gz HEPAYMFDTZWEEN-MNOVXSKESA-N 1 0 248.330 1.666 10 0 BDAERO C[NH2+][C@H](CO)c1cc(F)c(F)c(F)c1 ZINC000062720523 386591634 /nfs/dbraw/zinc/59/16/34/386591634.db2.gz DHGAMRWRWNEGSR-MRVPVSSYSA-N 1 0 205.179 1.357 10 0 BDAERO [NH3+]C[C@H]1CCO[C@@H]1c1ncc(Cl)s1 ZINC000223277609 386562291 /nfs/dbraw/zinc/56/22/91/386562291.db2.gz FAJOXXYUHCIYTK-VDTYLAMSSA-N 1 0 218.709 1.833 10 0 BDAERO C[C@]1(C(=O)N2CCCCC2)CCCC[NH2+]1 ZINC000136191960 386569174 /nfs/dbraw/zinc/56/91/74/386569174.db2.gz WXHUTDOSGICDHZ-GFCCVEGCSA-N 1 0 210.321 1.531 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CC12CCOCC2 ZINC000336782080 386620299 /nfs/dbraw/zinc/62/02/99/386620299.db2.gz WOGIDGCZPUJZIH-QJPTWQEYSA-N 1 0 225.332 1.570 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCc1cccs1 ZINC000335499682 386625435 /nfs/dbraw/zinc/62/54/35/386625435.db2.gz JUEJJTOFMJPIDY-GXSJLCMTSA-N 1 0 238.356 1.629 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2ccccc2O)C[C@H]1[NH3+] ZINC000335515081 386652771 /nfs/dbraw/zinc/65/27/71/386652771.db2.gz GSNHSJVJNMNSKP-ZYHUDNBSSA-N 1 0 248.326 1.130 10 0 BDAERO C[C@@H]([NH3+])CCNc1cncc(Br)c1 ZINC000300730871 386609775 /nfs/dbraw/zinc/60/97/75/386609775.db2.gz DMWPZCHYGFLECF-SSDOTTSWSA-N 1 0 244.136 1.993 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@]12NC(C)(C)CS2 ZINC000307506213 386698380 /nfs/dbraw/zinc/69/83/80/386698380.db2.gz QLYVNHWPYVNYGW-WCBMZHEXSA-N 1 0 200.351 1.570 10 0 BDAERO Cc1ccc(OCC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000335483563 386712584 /nfs/dbraw/zinc/71/25/84/386712584.db2.gz NQAUTATXHTXZSL-DGCLKSJQSA-N 1 0 248.326 1.179 10 0 BDAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000647965041 386748259 /nfs/dbraw/zinc/74/82/59/386748259.db2.gz CVARRJHOSXDQCI-QNWHQSFQSA-N 1 0 227.348 1.647 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2ccnc(Cl)c2)C1 ZINC000125100578 386756829 /nfs/dbraw/zinc/75/68/29/386756829.db2.gz UNDWOVUEVJDBEL-JTQLQIEISA-N 1 0 225.723 1.875 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000645334064 386741539 /nfs/dbraw/zinc/74/15/39/386741539.db2.gz PXRRQVRKLYZKCP-TUAOUCFPSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H](O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000248656579 386786597 /nfs/dbraw/zinc/78/65/97/386786597.db2.gz RSLKIZCDQVTOQZ-NEPJUHHUSA-N 1 0 235.331 1.196 10 0 BDAERO Cc1cnn([C@@H]2CCC[N@@H+](C[C@H](C)O)C2)c1 ZINC000248715895 386788195 /nfs/dbraw/zinc/78/81/95/386788195.db2.gz DZLMFMTYMXYBNK-NWDGAFQWSA-N 1 0 223.320 1.209 10 0 BDAERO Cc1cnn([C@H]2CCC[N@@H+](C[C@H](C)O)C2)c1 ZINC000248715900 386788995 /nfs/dbraw/zinc/78/89/95/386788995.db2.gz DZLMFMTYMXYBNK-RYUDHWBXSA-N 1 0 223.320 1.209 10 0 BDAERO C[C@H](c1csnn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000398396791 386820772 /nfs/dbraw/zinc/82/07/72/386820772.db2.gz ZIQORGNEYQQFAY-NXEZZACHSA-N 1 0 238.360 1.379 10 0 BDAERO Cc1ncc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)cn1 ZINC000395301367 386809107 /nfs/dbraw/zinc/80/91/07/386809107.db2.gz RUICOMZYOXJLJE-KWQFWETISA-N 1 0 234.303 1.112 10 0 BDAERO CC(C)(O)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336672641 386827030 /nfs/dbraw/zinc/82/70/30/386827030.db2.gz APZSYDPFDHSWFB-ZJUUUORDSA-N 1 0 203.301 1.875 10 0 BDAERO C[NH2+]CC1CCN(c2ncc(C)c(C)n2)CC1 ZINC000395408564 386827469 /nfs/dbraw/zinc/82/74/69/386827469.db2.gz HEHGJZFEENRKNM-UHFFFAOYSA-N 1 0 234.347 1.529 10 0 BDAERO c1cn([C@@H]2CC[N@@H+](C3CCCC3)C2)nn1 ZINC000585379652 386853199 /nfs/dbraw/zinc/85/31/99/386853199.db2.gz OCZCITFVNSLBMZ-LLVKDONJSA-N 1 0 206.293 1.468 10 0 BDAERO C/C(=C\c1cc(Br)nn1C)[C@@H](C)[NH3+] ZINC000575454164 386830768 /nfs/dbraw/zinc/83/07/68/386830768.db2.gz OSJHZKYWTCJGNE-PTYLAXBQSA-N 1 0 244.136 1.933 10 0 BDAERO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000399478100 386963759 /nfs/dbraw/zinc/96/37/59/386963759.db2.gz DHBNLYIIICUZFU-DDHJBXDOSA-N 1 0 224.348 1.489 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399478259 386964988 /nfs/dbraw/zinc/96/49/88/386964988.db2.gz YEVHTJMLJMMKAB-WYUUTHIRSA-N 1 0 226.364 1.911 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CCc3cccnc3)C[C@H]2C1 ZINC000398760351 386983985 /nfs/dbraw/zinc/98/39/85/386983985.db2.gz HIQHKBYEWRSKCK-RBSFLKMASA-N 1 0 246.354 1.717 10 0 BDAERO C[C@H]1CC[C@H](C)N1C(=O)C1CCC([NH3+])CC1 ZINC000648101635 387003460 /nfs/dbraw/zinc/00/34/60/387003460.db2.gz LLVRIUSPRBKJRM-JYBOHDQNSA-N 1 0 224.348 1.903 10 0 BDAERO [NH3+]C1(c2cnsc2)CCSCC1 ZINC000575575903 387005587 /nfs/dbraw/zinc/00/55/87/387005587.db2.gz JXTNKKXSWKAECP-UHFFFAOYSA-N 1 0 200.332 1.824 10 0 BDAERO [NH3+]C1CCC(S[C@H]2CCOC2)CC1 ZINC000575461275 387031489 /nfs/dbraw/zinc/03/14/89/387031489.db2.gz SHQYJMNWXLQDAH-RTBKNWGFSA-N 1 0 201.335 1.778 10 0 BDAERO COC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@H]1C)C(C)C ZINC000165982904 387041650 /nfs/dbraw/zinc/04/16/50/387041650.db2.gz GFOIEJFWQJSVJS-RDBSUJKOSA-N 1 0 242.407 1.976 10 0 BDAERO CC1(C)OCC[C@]1([NH3+])[C@H]1CCSC1 ZINC000575464326 387044845 /nfs/dbraw/zinc/04/48/45/387044845.db2.gz JZVYAYCENCMVBN-WPRPVWTQSA-N 1 0 201.335 1.636 10 0 BDAERO Cc1cc(N2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000399064271 387051644 /nfs/dbraw/zinc/05/16/44/387051644.db2.gz JUBBQMPLWIQNSW-OBJOEFQTSA-N 1 0 232.327 1.987 10 0 BDAERO COc1ccc(-c2cc(N)c(N)c[nH+]2)cc1 ZINC000575434029 387058809 /nfs/dbraw/zinc/05/88/09/387058809.db2.gz FGAYPKMKDWNKDW-UHFFFAOYSA-N 1 0 215.256 1.922 10 0 BDAERO COC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398891499 387015393 /nfs/dbraw/zinc/01/53/93/387015393.db2.gz ZLLAPSNWSDJXPQ-NNYUYHANSA-N 1 0 213.321 1.114 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2nc(C)cs2)C1 ZINC000053204941 387022314 /nfs/dbraw/zinc/02/23/14/387022314.db2.gz YMGCEZNSKFSNFZ-SECBINFHSA-N 1 0 211.334 1.640 10 0 BDAERO Br/C=C1/[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000575458717 387029281 /nfs/dbraw/zinc/02/92/81/387029281.db2.gz DNDYBEQBSMBDPB-NEKLLPILSA-N 1 0 214.106 1.893 10 0 BDAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000193097747 387071131 /nfs/dbraw/zinc/07/11/31/387071131.db2.gz BXOLADYENYNTRR-GHMZBOCLSA-N 1 0 247.379 1.159 10 0 BDAERO CCC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186193884 387075665 /nfs/dbraw/zinc/07/56/65/387075665.db2.gz LOISEULTQKJXCY-NWDGAFQWSA-N 1 0 227.348 1.960 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCOCC2 ZINC000186233225 387082609 /nfs/dbraw/zinc/08/26/09/387082609.db2.gz HESJWKTUQAWBJP-CHWSQXEVSA-N 1 0 239.359 1.960 10 0 BDAERO [NH3+][C@H]1COC[C@H]1c1sccc1Cl ZINC000575469231 387089261 /nfs/dbraw/zinc/08/92/61/387089261.db2.gz OODOHPXTEMVSGO-VDTYLAMSSA-N 1 0 203.694 1.843 10 0 BDAERO COCCC[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000066961528 387091358 /nfs/dbraw/zinc/09/13/58/387091358.db2.gz NROBLXNMJZGZTG-LLVKDONJSA-N 1 0 233.352 1.131 10 0 BDAERO Cn1cccc1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186491024 387097744 /nfs/dbraw/zinc/09/77/44/387097744.db2.gz UYISOCLCCKDNAT-NSHDSACASA-N 1 0 247.342 1.382 10 0 BDAERO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000186399224 387100807 /nfs/dbraw/zinc/10/08/07/387100807.db2.gz BZYTWLLNJCYRFY-CMPLNLGQSA-N 1 0 234.347 1.761 10 0 BDAERO C[C@@H]1CSC[C@]1([NH3+])c1cnsc1 ZINC000575470976 387105638 /nfs/dbraw/zinc/10/56/38/387105638.db2.gz WGENKKGQUPYOPJ-HTRCEHHLSA-N 1 0 200.332 1.680 10 0 BDAERO C[C@@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)C1CC1 ZINC000186558227 387110693 /nfs/dbraw/zinc/11/06/93/387110693.db2.gz TXMJZUBZWJUEQB-PWSUYJOCSA-N 1 0 236.359 1.776 10 0 BDAERO CO[C@@]1(C)CCC[N@H+](CC2(O)CCC2)C1 ZINC000335024299 387114348 /nfs/dbraw/zinc/11/43/48/387114348.db2.gz IKWNGDGAFWQMTA-NSHDSACASA-N 1 0 213.321 1.402 10 0 BDAERO C1C[C@@H](S[C@H]2CCC[NH2+]CC2)CO1 ZINC000575585902 387146577 /nfs/dbraw/zinc/14/65/77/387146577.db2.gz PGNMCVPMBVYPKO-VHSXEESVSA-N 1 0 201.335 1.651 10 0 BDAERO [NH3+]CC(=O)Nc1cccc(F)c1Cl ZINC000575478262 387159862 /nfs/dbraw/zinc/15/98/62/387159862.db2.gz WMLOUIIYCCFHBF-UHFFFAOYSA-N 1 0 202.616 1.376 10 0 BDAERO CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000536948281 387160730 /nfs/dbraw/zinc/16/07/30/387160730.db2.gz KKPUGHVSDJAPBW-JOYOIKCWSA-N 1 0 244.335 1.360 10 0 BDAERO CCC[C@]1(C[NH3+])COc2ccccc2O1 ZINC000536951545 387163687 /nfs/dbraw/zinc/16/36/87/387163687.db2.gz SKRCBSVFWKLKHV-LBPRGKRZSA-N 1 0 207.273 1.955 10 0 BDAERO CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](CCO)C1 ZINC000229430241 387170181 /nfs/dbraw/zinc/17/01/81/387170181.db2.gz WVOCUMFAYZKHQC-WDEREUQCSA-N 1 0 229.320 1.032 10 0 BDAERO CC[C@H]1C[N@@H+](C2CCCC2)CCN1CCOC ZINC000120091336 387179470 /nfs/dbraw/zinc/17/94/70/387179470.db2.gz HBLATAWOUARBBL-ZDUSSCGKSA-N 1 0 240.391 1.972 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292826737 387185817 /nfs/dbraw/zinc/18/58/17/387185817.db2.gz XLADHXHGCUURNC-WPRPVWTQSA-N 1 0 245.273 1.415 10 0 BDAERO C[C@@H]([NH3+])c1nn(C)cc1Br ZINC000575481542 387189265 /nfs/dbraw/zinc/18/92/65/387189265.db2.gz HDFDAOSMXCEDPF-SCSAIBSYSA-N 1 0 204.071 1.202 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@H]2COC[C@@H]2C)S1 ZINC000575481737 387190604 /nfs/dbraw/zinc/19/06/04/387190604.db2.gz AIORACKOKQQQPZ-RNJXMRFFSA-N 1 0 200.307 1.102 10 0 BDAERO CCC[C@@H](C(=O)N1CCSCC1)[NH+](C)C ZINC000161625173 387244027 /nfs/dbraw/zinc/24/40/27/387244027.db2.gz LGYRTIRVGISVPL-JTQLQIEISA-N 1 0 230.377 1.292 10 0 BDAERO CC[C@H]1COC[C@@H]1NC1=[NH+]CCS1 ZINC000575484353 387199901 /nfs/dbraw/zinc/19/99/01/387199901.db2.gz IGIPNCLVKVDVEO-YUMQZZPRSA-N 1 0 200.307 1.104 10 0 BDAERO C/C(=C/Cl)CN1C[C@H]([NH3+])CC[C@H]1C ZINC000575484535 387200189 /nfs/dbraw/zinc/20/01/89/387200189.db2.gz YQUTWMCKWNAYNY-MMIMJOASSA-N 1 0 202.729 1.941 10 0 BDAERO C[C@@H]1COC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000575485047 387252537 /nfs/dbraw/zinc/25/25/37/387252537.db2.gz YAUKNFZGLUTZAP-BXUZGUMPSA-N 1 0 245.326 1.432 10 0 BDAERO C[C@@H]1CN[C@@H](C)C[N@@H+]1CC1CSC1 ZINC000575490554 387256096 /nfs/dbraw/zinc/25/60/96/387256096.db2.gz PAJVXIXFHJQKBZ-DTWKUNHWSA-N 1 0 200.351 1.032 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)OC(C)(C)C ZINC000575488274 387256259 /nfs/dbraw/zinc/25/62/59/387256259.db2.gz XHQWAUPWUGBDCT-KXUCPTDWSA-N 1 0 228.336 1.992 10 0 BDAERO CC(C)CCOCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189266557 387278402 /nfs/dbraw/zinc/27/84/02/387278402.db2.gz OTNJRBIRIKBMNL-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000392944487 387303027 /nfs/dbraw/zinc/30/30/27/387303027.db2.gz XEJFQUJRVMHYSD-AEJSXWLSSA-N 1 0 246.301 1.679 10 0 BDAERO C[NH+]1CCC(c2nccc(Cl)n2)CC1 ZINC000575601230 387361147 /nfs/dbraw/zinc/36/11/47/387361147.db2.gz QUEXINOOMRIQQP-UHFFFAOYSA-N 1 0 211.696 1.939 10 0 BDAERO COc1c(Br)cc(C[NH3+])cc1CO ZINC000575601759 387369359 /nfs/dbraw/zinc/36/93/59/387369359.db2.gz IEZRCTQNQAAEJW-UHFFFAOYSA-N 1 0 246.104 1.409 10 0 BDAERO O[C@H](C1CCCC1)[C@H]1CSCC[NH2+]1 ZINC000575505824 387373571 /nfs/dbraw/zinc/37/35/71/387373571.db2.gz UYAUQGAWYHRFML-NXEZZACHSA-N 1 0 201.335 1.243 10 0 BDAERO [NH3+][C@@H]1CO[C@@H](c2ncc(Cl)s2)C1 ZINC000575507402 387374817 /nfs/dbraw/zinc/37/48/17/387374817.db2.gz HIMFXTJJLDENDL-CRCLSJGQSA-N 1 0 204.682 1.585 10 0 BDAERO [NH3+][C@H]1CO[C@@H](c2ncc(Cl)s2)C1 ZINC000575507412 387375169 /nfs/dbraw/zinc/37/51/69/387375169.db2.gz HIMFXTJJLDENDL-RFZPGFLSSA-N 1 0 204.682 1.585 10 0 BDAERO CC[NH2+][C@@H]1CO[C@]2(CSC[C@@H]2C)C1 ZINC000575511091 387382403 /nfs/dbraw/zinc/38/24/03/387382403.db2.gz MFFCRCZXWIQGAR-GUBZILKMSA-N 1 0 201.335 1.507 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C/C=C/Cl ZINC000575498347 387332487 /nfs/dbraw/zinc/33/24/87/387332487.db2.gz QBJPINVOTSCHLS-LWBFUSQJSA-N 1 0 202.729 1.810 10 0 BDAERO OCCC[N@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000286735892 387336409 /nfs/dbraw/zinc/33/64/09/387336409.db2.gz FHGQAWQXZWXWJO-ZDUSSCGKSA-N 1 0 235.327 1.003 10 0 BDAERO [NH3+]CCNc1cc(Cl)cc(F)c1F ZINC000575496769 387336358 /nfs/dbraw/zinc/33/63/58/387336358.db2.gz RRQHSYCAXJSGKY-UHFFFAOYSA-N 1 0 206.623 1.989 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000643486056 387340585 /nfs/dbraw/zinc/34/05/85/387340585.db2.gz NKFLNRVMLSNGEW-MNOVXSKESA-N 1 0 226.364 1.925 10 0 BDAERO CC[NH2+][C@@H]1CO[C@@]2(CSC[C@H]2C)C1 ZINC000575511092 387383377 /nfs/dbraw/zinc/38/33/77/387383377.db2.gz MFFCRCZXWIQGAR-KXUCPTDWSA-N 1 0 201.335 1.507 10 0 BDAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC=O ZINC000306573050 387425871 /nfs/dbraw/zinc/42/58/71/387425871.db2.gz HYJPZHLTQNWGGV-GXTWGEPZSA-N 1 0 232.327 1.643 10 0 BDAERO C[N@H+](Cc1cccc(C(N)=O)c1)[C@H]1CCC[C@H]1O ZINC000352661992 387426471 /nfs/dbraw/zinc/42/64/71/387426471.db2.gz WCUIQUWPVJGFLY-QWHCGFSZSA-N 1 0 248.326 1.131 10 0 BDAERO [NH3+][C@@H](c1cncs1)[C@@H]1CCSC1 ZINC000575515874 387427447 /nfs/dbraw/zinc/42/74/47/387427447.db2.gz VMQXYIJSQDAWBQ-HTRCEHHLSA-N 1 0 200.332 1.896 10 0 BDAERO N[C@H](C[NH3+])c1ccccc1OC(F)F ZINC000035677013 387437445 /nfs/dbraw/zinc/43/74/45/387437445.db2.gz GCVAABMEBLQOKV-SSDOTTSWSA-N 1 0 202.204 1.247 10 0 BDAERO CN1CC([NH2+][C@H]2CCCSCC2)C1 ZINC000575518679 387439428 /nfs/dbraw/zinc/43/94/28/387439428.db2.gz PWLIEFNKAZDTEG-VIFPVBQESA-N 1 0 200.351 1.176 10 0 BDAERO CO[C@H](C)c1nsc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000304240681 387453721 /nfs/dbraw/zinc/45/37/21/387453721.db2.gz DEOSEDNIDQCPOJ-HTQZYQBOSA-N 1 0 244.364 1.641 10 0 BDAERO C[C@@H]1COC[C@@H](C)N1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000516087807 387458538 /nfs/dbraw/zinc/45/85/38/387458538.db2.gz BRWGUNQMVZFPRQ-UTUOFQBUSA-N 1 0 240.347 1.012 10 0 BDAERO N[C@H]1CC[N@@H+]([C@H]2CCCSCC2)C1 ZINC000575513255 387385757 /nfs/dbraw/zinc/38/57/57/387385757.db2.gz HMCOSQFOOUKMLN-UWVGGRQHSA-N 1 0 200.351 1.305 10 0 BDAERO O[C@]1([C@H]2CCC[NH2+]2)CCCSCC1 ZINC000575513279 387385835 /nfs/dbraw/zinc/38/58/35/387385835.db2.gz LJZVUEHPLMQGMJ-NXEZZACHSA-N 1 0 201.335 1.387 10 0 BDAERO Cc1ncsc1[C@@H]([NH3+])C1CSC1 ZINC000575513977 387387799 /nfs/dbraw/zinc/38/77/99/387387799.db2.gz HBHNCQKSXAFJRF-ZETCQYMHSA-N 1 0 200.332 1.814 10 0 BDAERO [NH3+]Cc1ccncc1OCc1ccco1 ZINC000162459822 387415352 /nfs/dbraw/zinc/41/53/52/387415352.db2.gz PMERVNARSGHGCP-UHFFFAOYSA-N 1 0 204.229 1.712 10 0 BDAERO Cc1nc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)no1 ZINC000113270342 387544034 /nfs/dbraw/zinc/54/40/34/387544034.db2.gz QECNYGOKJKDFRX-ONGXEEELSA-N 1 0 236.319 1.047 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000310278143 387536009 /nfs/dbraw/zinc/53/60/09/387536009.db2.gz VLZAGSNHBDNJCN-CYBMUJFWSA-N 1 0 241.375 1.896 10 0 BDAERO [NH3+]C1([C@H](O)c2occc2Br)CC1 ZINC000575528131 387537914 /nfs/dbraw/zinc/53/79/14/387537914.db2.gz PSBPMUMBWKGVFN-SSDOTTSWSA-N 1 0 232.077 1.567 10 0 BDAERO CCCC[C@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424046015 387470658 /nfs/dbraw/zinc/47/06/58/387470658.db2.gz OWUYLDPQUAJHPT-SDDRHHMPSA-N 1 0 240.347 1.012 10 0 BDAERO O=C(/C=C/c1ccco1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740687 387582894 /nfs/dbraw/zinc/58/28/94/387582894.db2.gz JLTSNRRJLFPMND-DYVYSHHOSA-N 1 0 246.310 1.692 10 0 BDAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCn2cncn2)o1 ZINC000299369069 387593918 /nfs/dbraw/zinc/59/39/18/387593918.db2.gz YFBJXKUKAGUKLD-ZYHUDNBSSA-N 1 0 246.314 1.784 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124575208 387624056 /nfs/dbraw/zinc/62/40/56/387624056.db2.gz POSSEBLAPMWUIF-FQUUOJAGSA-N 1 0 241.375 1.773 10 0 BDAERO CCN(CC)CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000119971729 387557194 /nfs/dbraw/zinc/55/71/94/387557194.db2.gz FLGNRUZMVVILNB-CYBMUJFWSA-N 1 0 226.364 1.441 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000575550550 387645112 /nfs/dbraw/zinc/64/51/12/387645112.db2.gz UJXHYUYLGWOGPC-NWDGAFQWSA-N 1 0 244.294 1.423 10 0 BDAERO CC[C@@H]1CN(C2CSC2)CCC[NH2+]1 ZINC000575548790 387646220 /nfs/dbraw/zinc/64/62/20/387646220.db2.gz HFFGDBQMFZTAFV-SECBINFHSA-N 1 0 200.351 1.176 10 0 BDAERO CO[C@@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000422742045 387648323 /nfs/dbraw/zinc/64/83/23/387648323.db2.gz QYUKBKLFXLNFMH-OLZOCXBDSA-N 1 0 220.316 1.326 10 0 BDAERO C[C@@H]1C[C@@]([NH3+])(Cc2nccs2)CS1 ZINC000575573566 387754095 /nfs/dbraw/zinc/75/40/95/387754095.db2.gz WROHWXAUOAKSLF-VXNVDRBHSA-N 1 0 214.359 1.909 10 0 BDAERO C[C@@H]1N(Cc2ccccc2)CC[C@]1(C)[NH3+] ZINC000575562176 387700958 /nfs/dbraw/zinc/70/09/58/387700958.db2.gz YYYPAMRIHZJRRD-AAEUAGOBSA-N 1 0 204.317 1.998 10 0 BDAERO C[C@@H]1CSC[C@@]1([NH3+])Cc1nccs1 ZINC000575560974 387700972 /nfs/dbraw/zinc/70/09/72/387700972.db2.gz MHHGBTODXRCLJD-APPZFPTMSA-N 1 0 214.359 1.766 10 0 BDAERO CN1CC[C@@]([NH3+])(c2ccsc2Cl)C1 ZINC000575562319 387702822 /nfs/dbraw/zinc/70/28/22/387702822.db2.gz YPEFLFODPGGMGO-VIFPVBQESA-N 1 0 216.737 1.891 10 0 BDAERO CC1(Cc2ccncc2Br)C[NH2+]C1 ZINC000575562994 387704107 /nfs/dbraw/zinc/70/41/07/387704107.db2.gz INBSOPNEOUSUCN-UHFFFAOYSA-N 1 0 241.132 1.996 10 0 BDAERO C[C@@H]1CS[C@](C)([C@@H]2CCCCO2)[NH2+]1 ZINC000575562735 387704128 /nfs/dbraw/zinc/70/41/28/387704128.db2.gz CLWAVOZAKIZAOP-KXUCPTDWSA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@H](CO)[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045168808 387705810 /nfs/dbraw/zinc/70/58/10/387705810.db2.gz JOVJITOWHUMHFX-BXKDBHETSA-N 1 0 239.363 1.941 10 0 BDAERO COC[C@H](O)CC[NH2+]CC1CCC(C)CC1 ZINC000127495887 387714856 /nfs/dbraw/zinc/71/48/56/387714856.db2.gz PILDPRFBZWMBIH-WXRRBKDZSA-N 1 0 229.364 1.800 10 0 BDAERO [NH3+][C@]1(c2ccc(Cl)s2)CCOC1 ZINC000575566843 387732649 /nfs/dbraw/zinc/73/26/49/387732649.db2.gz GTIXRDCAMHADFU-MRVPVSSYSA-N 1 0 203.694 1.976 10 0 BDAERO C/C=C/[C@@H]([NH3+])c1c(Br)nnn1C ZINC000575570322 387739371 /nfs/dbraw/zinc/73/93/71/387739371.db2.gz XZTFTNZPYPWABF-QLSVQJPWSA-N 1 0 231.097 1.154 10 0 BDAERO CC[C@@H](C)[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000151016171 387791926 /nfs/dbraw/zinc/79/19/26/387791926.db2.gz SXRMZESPJNFIHC-MWLCHTKSSA-N 1 0 207.321 1.894 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CN(c2ccncc2Cl)CCO1 ZINC000169213163 387800582 /nfs/dbraw/zinc/80/05/82/387800582.db2.gz QWSAMBJYQKQNTE-KCJUWKMLSA-N 1 0 241.722 1.287 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CC[C@](C)([NH3+])C1 ZINC000575631054 387825381 /nfs/dbraw/zinc/82/53/81/387825381.db2.gz NHBOCNKAZVGVPU-KWQFWETISA-N 1 0 214.309 1.781 10 0 BDAERO CC(C)(C)OC(=O)N1CC2(C1)CC[NH2+]C[C@H]2F ZINC000575631041 387826742 /nfs/dbraw/zinc/82/67/42/387826742.db2.gz LETKLSSEHQXKTI-SECBINFHSA-N 1 0 244.310 1.555 10 0 BDAERO Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1O ZINC000061883445 387847826 /nfs/dbraw/zinc/84/78/26/387847826.db2.gz YDDGFNVORQTFKO-JQWIXIFHSA-N 1 0 248.326 1.558 10 0 BDAERO Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1O ZINC000061883440 387848163 /nfs/dbraw/zinc/84/81/63/387848163.db2.gz YDDGFNVORQTFKO-ZYHUDNBSSA-N 1 0 248.326 1.558 10 0 BDAERO C(CN[C@@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000423035446 387850475 /nfs/dbraw/zinc/85/04/75/387850475.db2.gz JMQOXNJUHGTQBC-NEPJUHHUSA-N 1 0 212.337 1.287 10 0 BDAERO COC(=O)C(C)(C)C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322039835 387868772 /nfs/dbraw/zinc/86/87/72/387868772.db2.gz NRSCUCNADDSPOG-AEJSXWLSSA-N 1 0 213.321 1.820 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)n1 ZINC000236032585 387871155 /nfs/dbraw/zinc/87/11/55/387871155.db2.gz FAIJJLUUXBZQMN-CHWSQXEVSA-N 1 0 233.315 1.442 10 0 BDAERO CC(C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195314091 387917945 /nfs/dbraw/zinc/91/79/45/387917945.db2.gz ARCQBLWJSSMVKI-LLVKDONJSA-N 1 0 210.321 1.339 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC2(CCC2)C1 ZINC000236816191 387908214 /nfs/dbraw/zinc/90/82/14/387908214.db2.gz UAFQKZHQZBQCJG-JTQLQIEISA-N 1 0 210.321 1.516 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC1(C)C ZINC000245515345 387952860 /nfs/dbraw/zinc/95/28/60/387952860.db2.gz QAGSXCLPDFAJKN-GRYCIOLGSA-N 1 0 236.359 1.728 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[C@@H]1C ZINC000245427299 387946113 /nfs/dbraw/zinc/94/61/13/387946113.db2.gz VUFYFNVWGFGYCK-TUAOUCFPSA-N 1 0 239.363 1.521 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2ncc(F)cn2)C1 ZINC000158611606 387959597 /nfs/dbraw/zinc/95/95/97/387959597.db2.gz TUWMUVVWNNUBCO-SNVBAGLBSA-N 1 0 224.283 1.512 10 0 BDAERO [NH3+]Cc1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000053994561 387975756 /nfs/dbraw/zinc/97/57/56/387975756.db2.gz GHDZUHQWRNCAHD-JTQLQIEISA-N 1 0 231.299 1.674 10 0 BDAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]1C ZINC000245924054 387993814 /nfs/dbraw/zinc/99/38/14/387993814.db2.gz VPLIFYPLKUBHMA-GARJFASQSA-N 1 0 210.321 1.385 10 0 BDAERO CN1CC[C@@H]2CC[N@H+](CC3CCOCC3)[C@H]2C1 ZINC000245980118 387999418 /nfs/dbraw/zinc/99/94/18/387999418.db2.gz PFGGGBODGHDURF-KGLIPLIRSA-N 1 0 238.375 1.439 10 0 BDAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[C@H]1C ZINC000246165588 388015137 /nfs/dbraw/zinc/01/51/37/388015137.db2.gz WPQTYEDOBCFWFV-MXWKQRLJSA-N 1 0 227.352 1.424 10 0 BDAERO C[NH2+][C@]1(c2nccs2)CCSC1 ZINC000041060307 388018779 /nfs/dbraw/zinc/01/87/79/388018779.db2.gz VTPXOORNLZCPJM-MRVPVSSYSA-N 1 0 200.332 1.695 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000246216552 388020540 /nfs/dbraw/zinc/02/05/40/388020540.db2.gz KZEDPDMOSNGLPT-IHRRRGAJSA-N 1 0 242.407 1.810 10 0 BDAERO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCCO ZINC000082725335 388040666 /nfs/dbraw/zinc/04/06/66/388040666.db2.gz ROABHMQSRAYRLK-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)C ZINC000083550320 388054759 /nfs/dbraw/zinc/05/47/59/388054759.db2.gz RYPGPJNUBGAOSU-WDEREUQCSA-N 1 0 224.348 1.728 10 0 BDAERO CCOc1cncc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000083644635 388056794 /nfs/dbraw/zinc/05/67/94/388056794.db2.gz YLNMWUKDPIHPEA-JTQLQIEISA-N 1 0 238.335 1.661 10 0 BDAERO CC[C@H]([NH3+])CNc1ncccc1Br ZINC000084718389 388080664 /nfs/dbraw/zinc/08/06/64/388080664.db2.gz WDPCEBMBGWDIAX-ZETCQYMHSA-N 1 0 244.136 1.993 10 0 BDAERO O=C1C[NH2+]CCCN1Cc1ccccc1 ZINC000071508975 388096142 /nfs/dbraw/zinc/09/61/42/388096142.db2.gz MKAMJBPGAFKDMU-UHFFFAOYSA-N 1 0 204.273 1.009 10 0 BDAERO CC(C)C[S@](=O)[C@@H]1CCC(C)(C)[C@H]1[NH3+] ZINC000250556908 388177275 /nfs/dbraw/zinc/17/72/75/388177275.db2.gz DJPWXYKEPVJBHE-BFVZDQMLSA-N 1 0 217.378 1.907 10 0 BDAERO COc1cccnc1NC[C@@H](O)C(C)(C)C ZINC000324419705 388118496 /nfs/dbraw/zinc/11/84/96/388118496.db2.gz MZMMSNZVNLEBHU-SNVBAGLBSA-N 1 0 224.304 1.909 10 0 BDAERO Cc1cc(C(=O)NC2[C@H]3C[NH2+]C[C@@H]23)ccc1F ZINC000063058039 177775196 /nfs/dbraw/zinc/77/51/96/177775196.db2.gz HENVEIZFNAOEBJ-DHHPTOIESA-N 1 0 234.274 1.082 10 0 BDAERO O=c1ccccn1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089358 388140328 /nfs/dbraw/zinc/14/03/28/388140328.db2.gz PSLVYSCROCXBJQ-YNEHKIRRSA-N 1 0 232.327 1.627 10 0 BDAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CS(C)(=O)=O ZINC000646091315 388140518 /nfs/dbraw/zinc/14/05/18/388140518.db2.gz LBRBRELFQCEGJF-WRWGMCAJSA-N 1 0 245.388 1.445 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(OC)c(O)c1 ZINC000036779157 388261117 /nfs/dbraw/zinc/26/11/17/388261117.db2.gz HFRAQEUMGOCMEK-KCJUWKMLSA-N 1 0 211.261 1.172 10 0 BDAERO C[NH2+][C@H](CO)c1ccc(Br)s1 ZINC000041703074 388208776 /nfs/dbraw/zinc/20/87/76/388208776.db2.gz ABOSFOYUGCOBQH-RXMQYKEDSA-N 1 0 236.134 1.763 10 0 BDAERO COC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000401019944 388238736 /nfs/dbraw/zinc/23/87/36/388238736.db2.gz KGUUHOXDLYCAIM-VXGBXAGGSA-N 1 0 241.331 1.298 10 0 BDAERO CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233824644 388349705 /nfs/dbraw/zinc/34/97/05/388349705.db2.gz JJWKBVLDHZEZMF-WISYIIOYSA-N 1 0 226.364 1.783 10 0 BDAERO C[C@@H]1CN[C@]2(C[N@H+](C)C(C)(C)C2)S1 ZINC000575521170 388357017 /nfs/dbraw/zinc/35/70/17/388357017.db2.gz PJFMHLMOZWSSGT-SCZZXKLOSA-N 1 0 200.351 1.522 10 0 BDAERO CO[C@@]1(C)C[C@@H]1NC1=[NH+]CCCS1 ZINC000575521739 388358258 /nfs/dbraw/zinc/35/82/58/388358258.db2.gz IHLUVRHLRHJHKN-CBAPKCEASA-N 1 0 200.307 1.246 10 0 BDAERO CC[C@@H]1CS[C@@H]([C@H]2CCCCO2)[NH2+]1 ZINC000575523433 388358926 /nfs/dbraw/zinc/35/89/26/388358926.db2.gz SXMRHASQZRDDRJ-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@@H]([S@@](C)=O)C1 ZINC000228037738 388376800 /nfs/dbraw/zinc/37/68/00/388376800.db2.gz ALZLVHZUDRXCGH-KEPMVKOISA-N 1 0 203.351 1.532 10 0 BDAERO Cc1cnc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)o1 ZINC000328133954 388402535 /nfs/dbraw/zinc/40/25/35/388402535.db2.gz ACJRGPMGANEDSQ-QWRGUYRKSA-N 1 0 224.304 1.624 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000294716770 388403074 /nfs/dbraw/zinc/40/30/74/388403074.db2.gz CHUDNCGHEPDTQX-MFKMUULPSA-N 1 0 248.326 1.131 10 0 BDAERO Cc1cnc(C[NH2+]C[C@H]2CCCC[C@H]2O)o1 ZINC000328133952 388403108 /nfs/dbraw/zinc/40/31/08/388403108.db2.gz ACJRGPMGANEDSQ-GHMZBOCLSA-N 1 0 224.304 1.624 10 0 BDAERO C[C@@H]([NH3+])CS(=O)(=O)c1ccc(Cl)cc1 ZINC000071543330 388444873 /nfs/dbraw/zinc/44/48/73/388444873.db2.gz DPJFLOFWDDUGGH-SSDOTTSWSA-N 1 0 233.720 1.461 10 0 BDAERO CN(C)CC(C)(C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000308638611 388446046 /nfs/dbraw/zinc/44/60/46/388446046.db2.gz VFBDKERQFBBINU-NSHDSACASA-N 1 0 246.395 1.092 10 0 BDAERO CN(C)CC(C)(C)[NH2+]C[C@H](O)C(C)(C)C ZINC000308634483 388446308 /nfs/dbraw/zinc/44/63/08/388446308.db2.gz ZDSYJARWVGUJCG-JTQLQIEISA-N 1 0 216.369 1.323 10 0 BDAERO Cc1cccnc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000334746133 388447548 /nfs/dbraw/zinc/44/75/48/388447548.db2.gz NXANFEXXKXVLQU-JQWIXIFHSA-N 1 0 220.316 1.593 10 0 BDAERO C[C@@H](Nc1ccc2n[nH]cc2c1)[C@@H]1CC[NH2+]C1 ZINC000334863264 388447827 /nfs/dbraw/zinc/44/78/27/388447827.db2.gz MKQHRPGWRGIKNW-NXEZZACHSA-N 1 0 230.315 1.973 10 0 BDAERO Cc1cncc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000335598169 388452011 /nfs/dbraw/zinc/45/20/11/388452011.db2.gz USZGMZKZXKYKGA-PWSUYJOCSA-N 1 0 233.315 1.717 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC000176455277 388454060 /nfs/dbraw/zinc/45/40/60/388454060.db2.gz MCKOLJUXJHOXRN-LBPRGKRZSA-N 1 0 224.348 1.729 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176593302 388455091 /nfs/dbraw/zinc/45/50/91/388455091.db2.gz LUDYLJWBRHMPTI-WYUUTHIRSA-N 1 0 239.363 1.567 10 0 BDAERO CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000336701921 388465596 /nfs/dbraw/zinc/46/55/96/388465596.db2.gz JZUKOIRRTAFQGZ-OLZOCXBDSA-N 1 0 237.347 1.718 10 0 BDAERO [NH3+][C@H](c1cncs1)[C@@H]1CCSC1 ZINC000575515884 388473954 /nfs/dbraw/zinc/47/39/54/388473954.db2.gz VMQXYIJSQDAWBQ-SVRRBLITSA-N 1 0 200.332 1.896 10 0 BDAERO C[NH2+]Cc1csc(-c2cnccn2)c1 ZINC000069048765 388412481 /nfs/dbraw/zinc/41/24/81/388412481.db2.gz BIEDXWUAUVTSJC-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO CCN(CC)C(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339505994 388484254 /nfs/dbraw/zinc/48/42/54/388484254.db2.gz ASPHGXGRJHNDMK-UHFFFAOYSA-N 1 0 212.337 1.633 10 0 BDAERO CCC[C@H](C[N@@H+]1CCN2CCCC[C@H]2C1)OC ZINC000378714626 388484628 /nfs/dbraw/zinc/48/46/28/388484628.db2.gz XNWFTBPDKKTJOB-UONOGXRCSA-N 1 0 240.391 1.972 10 0 BDAERO CC[C@@H]([NH2+]CC(C)(C)C(N)=O)[C@H]1CC1(C)C ZINC000397627969 388485400 /nfs/dbraw/zinc/48/54/00/388485400.db2.gz NEBBLFVUYYKLCN-NXEZZACHSA-N 1 0 226.364 1.912 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000208737470 388503511 /nfs/dbraw/zinc/50/35/11/388503511.db2.gz RBNKLJMQYLGPSQ-DRZSPHRISA-N 1 0 221.300 1.487 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000344711554 388508792 /nfs/dbraw/zinc/50/87/92/388508792.db2.gz LGHCTJJSFRHYSG-RWMBFGLXSA-N 1 0 229.364 1.750 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cocn1 ZINC000397997573 388514725 /nfs/dbraw/zinc/51/47/25/388514725.db2.gz QZWHACCQLXCKIL-DGCLKSJQSA-N 1 0 235.331 1.733 10 0 BDAERO CC(C)[C@H](C)N(C(=O)C1C[NH2+]C1)C1CC1 ZINC000261548693 135187403 /nfs/dbraw/zinc/18/74/03/135187403.db2.gz NVZJXAISENUVST-VIFPVBQESA-N 1 0 210.321 1.241 10 0 BDAERO CC[N@@H+]1CC[C@H](NCc2ncc(C)o2)C1 ZINC000328211931 388586537 /nfs/dbraw/zinc/58/65/37/388586537.db2.gz VPSYEGRZJGQWEU-JTQLQIEISA-N 1 0 209.293 1.167 10 0 BDAERO CN([C@@H]1CCSC1)[C@H]1CCCC[NH2+]C1 ZINC000054135015 388593154 /nfs/dbraw/zinc/59/31/54/388593154.db2.gz AHQMHUGLLHHXGT-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO CSCc1noc(C2([NH3+])CCCC2)n1 ZINC000054494115 388594123 /nfs/dbraw/zinc/59/41/23/388594123.db2.gz JWNDWPSKLSYCMX-UHFFFAOYSA-N 1 0 213.306 1.661 10 0 BDAERO CCn1nccc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245760688 388603035 /nfs/dbraw/zinc/60/30/35/388603035.db2.gz PPUOAOXKDVIOQM-CHWSQXEVSA-N 1 0 248.374 1.572 10 0 BDAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246075644 388615204 /nfs/dbraw/zinc/61/52/04/388615204.db2.gz CQSMKGAVHVTGCG-VHSXEESVSA-N 1 0 244.404 1.727 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)[C@@H]1CCCO1 ZINC000367616124 388566358 /nfs/dbraw/zinc/56/63/58/388566358.db2.gz LAPXJIXFTSCDKD-NDMJEZRESA-N 1 0 235.331 1.944 10 0 BDAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000528760058 388568608 /nfs/dbraw/zinc/56/86/08/388568608.db2.gz QSQXGHPSGJMFJH-WGWHJZDNSA-N 1 0 213.321 1.301 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)[C@H]1CCOC1 ZINC000248069681 388673407 /nfs/dbraw/zinc/67/34/07/388673407.db2.gz MMCAITABVPAAHF-ZDEQEGDKSA-N 1 0 227.348 1.552 10 0 BDAERO CCCCS(=O)(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000064950207 388678575 /nfs/dbraw/zinc/67/85/75/388678575.db2.gz WTEPJSMJIIBHHQ-NSHDSACASA-N 1 0 248.392 1.190 10 0 BDAERO CC[C@]1(C)[N+]([O-])=C(C)C(c2ccccc2)=[N+]1O ZINC000225402105 388680676 /nfs/dbraw/zinc/68/06/76/388680676.db2.gz QNCVUSUAONCZRH-CYBMUJFWSA-N 1 0 234.299 1.880 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CSCCN2)C1 ZINC000253628437 388622223 /nfs/dbraw/zinc/62/22/23/388622223.db2.gz XMVATCYKQJRGSV-MXWKQRLJSA-N 1 0 214.378 1.470 10 0 BDAERO CC1(C)CC(C[N@@H+]2CC[C@H]3OCCN[C@H]3C2)C1 ZINC000530224071 388634565 /nfs/dbraw/zinc/63/45/65/388634565.db2.gz KVEXDCSCCCXDIW-QWHCGFSZSA-N 1 0 238.375 1.485 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@H](C)CCCOC)C1 ZINC000246903969 388655170 /nfs/dbraw/zinc/65/51/70/388655170.db2.gz GAIAFLNSZPSTFJ-CHWSQXEVSA-N 1 0 228.380 1.875 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000248657663 388688533 /nfs/dbraw/zinc/68/85/33/388688533.db2.gz SSSDIPMPPZASLW-RWMBFGLXSA-N 1 0 245.363 1.273 10 0 BDAERO CCC[C@H](C(=O)N(C)C(C)C)[NH+](C)C ZINC000192942210 388690364 /nfs/dbraw/zinc/69/03/64/388690364.db2.gz LKEOYHOCICIZHA-SNVBAGLBSA-N 1 0 200.326 1.584 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)CSC ZINC000249275888 388713989 /nfs/dbraw/zinc/71/39/89/388713989.db2.gz MGCHUXBRAOWXIT-VXGBXAGGSA-N 1 0 246.420 1.126 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cocn1 ZINC000249317343 388716464 /nfs/dbraw/zinc/71/64/64/388716464.db2.gz PSIRKFKELIDADB-PWSUYJOCSA-N 1 0 221.304 1.343 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cnn(C)c1 ZINC000227843477 388760566 /nfs/dbraw/zinc/76/05/66/388760566.db2.gz YTHUGSRIIJYFHY-FXPVBKGRSA-N 1 0 209.293 1.248 10 0 BDAERO COc1ccc(C[C@@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000091524949 388765038 /nfs/dbraw/zinc/76/50/38/388765038.db2.gz QLIWMHIAVPTDDZ-LMWSTFAQSA-N 1 0 249.354 1.987 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)C12CCC2 ZINC000091538570 388766819 /nfs/dbraw/zinc/76/68/19/388766819.db2.gz DBHNEDXOAJRZJD-TUUUFIMRSA-N 1 0 239.359 1.695 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000077900005 135392909 /nfs/dbraw/zinc/39/29/09/135392909.db2.gz PHHJOXHQYTYWOT-HBNTYKKESA-N 1 0 233.377 1.588 10 0 BDAERO CNNc1cc(Cl)nc(SC)[nH+]1 ZINC000575462523 388827925 /nfs/dbraw/zinc/82/79/25/388827925.db2.gz FYKKQBYMATXBSN-UHFFFAOYSA-N 1 0 204.686 1.398 10 0 BDAERO N[C@@]1(c2ncno2)CC[N@H+](Cc2ccccc2)C1 ZINC000575464462 388832518 /nfs/dbraw/zinc/83/25/18/388832518.db2.gz HYRYRXFYPWSCFU-ZDUSSCGKSA-N 1 0 244.298 1.130 10 0 BDAERO c1cc(NCC2SCCS2)cc[nH+]1 ZINC000575468499 388840653 /nfs/dbraw/zinc/84/06/53/388840653.db2.gz CLLVQABYQLAPHH-UHFFFAOYSA-N 1 0 212.343 1.722 10 0 BDAERO [NH3+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000011632337 132227081 /nfs/dbraw/zinc/22/70/81/132227081.db2.gz JAUUSDGWHWVEGZ-LLVKDONJSA-N 1 0 226.707 1.504 10 0 BDAERO COC[C@H](O)CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000565888607 388976704 /nfs/dbraw/zinc/97/67/04/388976704.db2.gz NCHSJNPSBJUTJF-CYBMUJFWSA-N 1 0 236.315 1.051 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H]1c1cc(Br)nn1C ZINC000575502588 388990129 /nfs/dbraw/zinc/99/01/29/388990129.db2.gz RPKXISXEJYCFMK-BQBZGAKWSA-N 1 0 244.136 1.506 10 0 BDAERO [NH3+]C[C@@H](F)c1scc2c1OCCO2 ZINC000575501572 388990361 /nfs/dbraw/zinc/99/03/61/388990361.db2.gz BBSNMPWUMJDFAR-RXMQYKEDSA-N 1 0 203.238 1.489 10 0 BDAERO CCOCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273152561 389037198 /nfs/dbraw/zinc/03/71/98/389037198.db2.gz XNFGOOUURSDPRD-GFCCVEGCSA-N 1 0 243.734 2.000 10 0 BDAERO Cc1cnc(C)c(N2CCCC[C@H]2C[NH3+])n1 ZINC000044559401 132354424 /nfs/dbraw/zinc/35/44/24/132354424.db2.gz YVXIUHAAEOPQMJ-NSHDSACASA-N 1 0 220.320 1.411 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1cc(C)ncn1 ZINC000053706812 132363472 /nfs/dbraw/zinc/36/34/72/132363472.db2.gz XCNNIAGDOZHYSO-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO CCN(C)C(=O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309983173 169676493 /nfs/dbraw/zinc/67/64/93/169676493.db2.gz XCLQAMZKPQEXBD-QWRGUYRKSA-N 1 0 230.327 1.583 10 0 BDAERO COCCCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401595911 533257795 /nfs/dbraw/zinc/25/77/95/533257795.db2.gz VLXVTSZKKKZTGM-MNOVXSKESA-N 1 0 201.310 1.116 10 0 BDAERO C([NH2+][C@H]1C[C@H]2OCCC[C@H]21)C1CCOCC1 ZINC000249969839 533374048 /nfs/dbraw/zinc/37/40/48/533374048.db2.gz KJOYPQPDUXIXHT-RWMBFGLXSA-N 1 0 225.332 1.570 10 0 BDAERO CCCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000042269538 322837345 /nfs/dbraw/zinc/83/73/45/322837345.db2.gz PMACYRYQKQCPOH-WDEREUQCSA-N 1 0 228.336 1.060 10 0 BDAERO Cc1ccc(F)c2c1CCCN2C(=O)C1C[NH2+]C1 ZINC000336391901 132247362 /nfs/dbraw/zinc/24/73/62/132247362.db2.gz LUIYSFFZJUVFKC-UHFFFAOYSA-N 1 0 248.301 1.633 10 0 BDAERO c1cc2cccc(N3CC[NH2+]CC3)c2o1 ZINC000012355893 132309851 /nfs/dbraw/zinc/30/98/51/132309851.db2.gz KFVKNZPFYQDNAE-UHFFFAOYSA-N 1 0 202.257 1.842 10 0 BDAERO CSc1ccc(N2CC[NH2+]CC2)cc1F ZINC000090556960 132311736 /nfs/dbraw/zinc/31/17/36/132311736.db2.gz JFTKQWAILGZUPI-UHFFFAOYSA-N 1 0 226.320 1.957 10 0 BDAERO C[C@H]1Oc2ccccc2N(CCCC[NH3+])C1=O ZINC000011568789 132319713 /nfs/dbraw/zinc/31/97/13/132319713.db2.gz XLXCLCAIQZAHAO-SNVBAGLBSA-N 1 0 234.299 1.539 10 0 BDAERO [NH3+]C1CCN(c2nccc(Cl)n2)CC1 ZINC000012953755 132321661 /nfs/dbraw/zinc/32/16/61/132321661.db2.gz TWQNYALLXKLRFY-UHFFFAOYSA-N 1 0 212.684 1.058 10 0 BDAERO COc1ccc2c(c1)N(CC[NH+](C)C)CCO2 ZINC000013584512 132322087 /nfs/dbraw/zinc/32/20/87/132322087.db2.gz DVDMPYVRIBHKEM-UHFFFAOYSA-N 1 0 236.315 1.456 10 0 BDAERO CC[C@@H](C[NH3+])N1CCN(c2cccc(C)c2)CC1 ZINC000019274384 132324444 /nfs/dbraw/zinc/32/44/44/132324444.db2.gz AFBRKZKQMPFHDY-AWEZNQCLSA-N 1 0 247.386 1.854 10 0 BDAERO COc1cc(OC)cc(N2CCC([NH3+])CC2)c1 ZINC000019508295 132325672 /nfs/dbraw/zinc/32/56/72/132325672.db2.gz HAVBOLKMGXMPIO-UHFFFAOYSA-N 1 0 236.315 1.631 10 0 BDAERO C[C@H]1CCCCN1c1ncccc1C(N)=[NH2+] ZINC000019505693 132325760 /nfs/dbraw/zinc/32/57/60/132325760.db2.gz STNUQOPCORZFRF-VIFPVBQESA-N 1 0 218.304 1.744 10 0 BDAERO CN1c2ccccc2SC[C@@H]1CC[NH3+] ZINC000019723394 132326228 /nfs/dbraw/zinc/32/62/28/132326228.db2.gz QGJJMHYBVKEVDA-VIFPVBQESA-N 1 0 208.330 1.946 10 0 BDAERO CC(=O)N1CCN(c2ccccc2[C@H](C)[NH3+])CC1 ZINC000019872494 132328539 /nfs/dbraw/zinc/32/85/39/132328539.db2.gz GFUWKUPGGHQUGN-NSHDSACASA-N 1 0 247.342 1.375 10 0 BDAERO O=C1Nc2c(Cl)cccc2N2CC[NH2+]C[C@@H]12 ZINC000026153703 132333567 /nfs/dbraw/zinc/33/35/67/132333567.db2.gz WZZWZWUWJPVHJR-VIFPVBQESA-N 1 0 237.690 1.070 10 0 BDAERO O=C1Nc2ccc(Cl)cc2N2CC[NH2+]C[C@@H]12 ZINC000029571960 132334435 /nfs/dbraw/zinc/33/44/35/132334435.db2.gz DMKXWGJIDPBMPT-JTQLQIEISA-N 1 0 237.690 1.070 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)CN1CCCc2ccccc21 ZINC000034978494 132337403 /nfs/dbraw/zinc/33/74/03/132337403.db2.gz AWLOIPFRKGIMAI-CQSZACIVSA-N 1 0 248.370 1.798 10 0 BDAERO C[C@@H]1COCCN1c1ccccc1C[NH3+] ZINC000035773377 132339031 /nfs/dbraw/zinc/33/90/31/132339031.db2.gz LWUWGMVVSBIKLV-SNVBAGLBSA-N 1 0 206.289 1.370 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCOC[C@H]1C ZINC000035777786 132339379 /nfs/dbraw/zinc/33/93/79/132339379.db2.gz UQKWZOPMAROPMF-LLVKDONJSA-N 1 0 220.316 1.631 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CCOC[C@@H]1C ZINC000035776791 132339481 /nfs/dbraw/zinc/33/94/81/132339481.db2.gz RMMVFYUCGGJQAP-WDEREUQCSA-N 1 0 220.316 1.931 10 0 BDAERO CC[C@@H]1CCCN(c2ccc(C(N)=[NH2+])cn2)C1 ZINC000036169774 132340210 /nfs/dbraw/zinc/34/02/10/132340210.db2.gz INWFTWAYRCVIPM-SNVBAGLBSA-N 1 0 232.331 1.992 10 0 BDAERO C[NH+](C)C1CCN(c2ccccc2CO)CC1 ZINC000036192663 132340813 /nfs/dbraw/zinc/34/08/13/132340813.db2.gz OATQFLJVLBNLGI-UHFFFAOYSA-N 1 0 234.343 1.709 10 0 BDAERO Cc1cc[nH+]c(N2CCCC[C@@H]2CCO)c1N ZINC000036245155 132341474 /nfs/dbraw/zinc/34/14/74/132341474.db2.gz HEELQSNEUQXZDT-LLVKDONJSA-N 1 0 235.331 1.714 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037238943 132343861 /nfs/dbraw/zinc/34/38/61/132343861.db2.gz YFVYRFXGNALDMY-ZYHUDNBSSA-N 1 0 248.326 1.455 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1ccc(F)cc1F ZINC000041226213 132349437 /nfs/dbraw/zinc/34/94/37/132349437.db2.gz AWYLHNIBCXZLEN-QMMMGPOBSA-N 1 0 212.243 1.763 10 0 BDAERO CCCO[C@H]1CCCN(c2cc(C[NH3+])ccn2)C1 ZINC000042408083 132351515 /nfs/dbraw/zinc/35/15/15/132351515.db2.gz QBSBLCIBOKJQAU-ZDUSSCGKSA-N 1 0 249.358 1.936 10 0 BDAERO C[NH2+]Cc1cccc(N2CCCNC2=O)c1 ZINC000043323552 132352788 /nfs/dbraw/zinc/35/27/88/132352788.db2.gz MMOVRVWHTIXBHP-UHFFFAOYSA-N 1 0 219.288 1.326 10 0 BDAERO Cc1cc2ncnn2c(N2CCCC[C@H]2C[NH3+])c1 ZINC000044559757 132354459 /nfs/dbraw/zinc/35/44/59/132354459.db2.gz QYPXWMQZEMJQOS-NSHDSACASA-N 1 0 245.330 1.355 10 0 BDAERO [NH3+]Cc1cc(N2CCO[C@H]3CCC[C@@H]32)ccn1 ZINC000051397582 132360285 /nfs/dbraw/zinc/36/02/85/132360285.db2.gz UNSILLKUBCPZIS-STQMWFEESA-N 1 0 233.315 1.298 10 0 BDAERO CC1(C)COCCN1c1ccnc(C[NH3+])c1 ZINC000051397844 132360292 /nfs/dbraw/zinc/36/02/92/132360292.db2.gz VLFISJVQCNUZHB-UHFFFAOYSA-N 1 0 221.304 1.156 10 0 BDAERO CC[C@H]1CO[C@@H](C)CN1c1cccc(C[NH3+])n1 ZINC000051397959 132360461 /nfs/dbraw/zinc/36/04/61/132360461.db2.gz KGLWCFODCUFIGW-JQWIXIFHSA-N 1 0 235.331 1.544 10 0 BDAERO C[NH2+]Cc1nc(N2CCOCC2)ccc1Cl ZINC000051399178 132360797 /nfs/dbraw/zinc/36/07/97/132360797.db2.gz UDJVTWTVKMAYKD-UHFFFAOYSA-N 1 0 241.722 1.291 10 0 BDAERO C[NH2+]Cc1ccc(N2CCCCC2)nn1 ZINC000051436152 132361100 /nfs/dbraw/zinc/36/11/00/132361100.db2.gz XILBJGMMQXNOAQ-UHFFFAOYSA-N 1 0 206.293 1.186 10 0 BDAERO [NH3+]Cc1cc(N2CCCCC2=O)ccc1F ZINC000051636958 132361631 /nfs/dbraw/zinc/36/16/31/132361631.db2.gz IZQOVTHBFUMBRC-UHFFFAOYSA-N 1 0 222.263 1.801 10 0 BDAERO CC[NH+]1CCN(c2cc(F)ccc2N)CC1 ZINC000052118839 132361960 /nfs/dbraw/zinc/36/19/60/132361960.db2.gz IOXRRTCKJCLVCK-UHFFFAOYSA-N 1 0 223.295 1.550 10 0 BDAERO COCC[NH2+]C[C@@H]1CCCN(c2ccccn2)C1 ZINC000053703287 132363211 /nfs/dbraw/zinc/36/32/11/132363211.db2.gz JRIDGUQIGBHDQB-ZDUSSCGKSA-N 1 0 249.358 1.534 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2ccncn2)C1 ZINC000053696330 132363239 /nfs/dbraw/zinc/36/32/39/132363239.db2.gz GHFCNKYHDWXRGW-LLVKDONJSA-N 1 0 220.320 1.303 10 0 BDAERO C[C@@H]1CN(c2ccc(F)cn2)C[C@@H](C)[NH2+]1 ZINC000053712519 132363570 /nfs/dbraw/zinc/36/35/70/132363570.db2.gz DATNCVXNFJMVGR-RKDXNWHRSA-N 1 0 209.268 1.407 10 0 BDAERO Cc1cc(F)ccc1N1CC[NH2+][C@@H](C)C1 ZINC000054348269 132364063 /nfs/dbraw/zinc/36/40/63/132364063.db2.gz KOHNYSPLMZPKQN-JTQLQIEISA-N 1 0 208.280 1.932 10 0 BDAERO C[C@@H]1CCCN(c2nccnc2C(N)=[NH2+])[C@@H]1C ZINC000054380191 132364558 /nfs/dbraw/zinc/36/45/58/132364558.db2.gz 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QLJOBMZCSQJPBV-RDBSUJKOSA-N 1 0 239.359 1.792 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC000179027135 134314692 /nfs/dbraw/zinc/31/46/92/134314692.db2.gz YLXMIQJFOXPAAW-NEPJUHHUSA-N 1 0 226.364 1.737 10 0 BDAERO c1snnc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000179732720 134320556 /nfs/dbraw/zinc/32/05/56/134320556.db2.gz LOUJFTWDRDVBGB-UHFFFAOYSA-N 1 0 238.360 1.208 10 0 BDAERO C[C@@H]1C[N@@H+](C2CCC2)C[C@@H]1N1CCOCC1 ZINC000179584616 134321899 /nfs/dbraw/zinc/32/18/99/134321899.db2.gz QVHPQIIBWSYOSE-YPMHNXCESA-N 1 0 224.348 1.191 10 0 BDAERO C([C@@H]1CC[N@@H+](C2CCC2)C1)[NH+]1CCCC1 ZINC000179578574 134321969 /nfs/dbraw/zinc/32/19/69/134321969.db2.gz XPWSGPHKAOJJQX-LBPRGKRZSA-N 1 0 208.349 1.957 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccoc1 ZINC000180596949 134330075 /nfs/dbraw/zinc/33/00/75/134330075.db2.gz DVHLMFVRWMUGPU-MWLCHTKSSA-N 1 0 232.287 1.537 10 0 BDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C1CCC1)CC2 ZINC000180628814 134330460 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135246902 /nfs/dbraw/zinc/24/69/02/135246902.db2.gz BILIMVZESKUBMI-JTQLQIEISA-N 1 0 244.404 1.715 10 0 BDAERO O=C(NCCSc1ccccc1)C1C[NH2+]C1 ZINC000084410344 135246953 /nfs/dbraw/zinc/24/69/53/135246953.db2.gz SAQCJGUVNFXHQF-UHFFFAOYSA-N 1 0 236.340 1.114 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C ZINC000261720999 135248311 /nfs/dbraw/zinc/24/83/11/135248311.db2.gz KCTUAVIUBNNPHG-DDHJBXDOSA-N 1 0 224.348 1.618 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)[C@@H](C[NH3+])C1 ZINC000261799794 135254846 /nfs/dbraw/zinc/25/48/46/135254846.db2.gz MNEGRLSRACZHHJ-OJAKKHQRSA-N 1 0 236.359 1.618 10 0 BDAERO Cc1c[nH]cc1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261878581 135258827 /nfs/dbraw/zinc/25/88/27/135258827.db2.gz OYFCEKBIRMWZEG-NSHDSACASA-N 1 0 235.331 1.523 10 0 BDAERO [NH3+]C1(c2noc(CCC(F)(F)F)n2)CCC1 ZINC000261939641 135264204 /nfs/dbraw/zinc/26/42/04/135264204.db2.gz MNJALJDDTYPQLQ-UHFFFAOYSA-N 1 0 235.209 1.902 10 0 BDAERO Cc1cc(C)cc(OCCNC(=O)C2C[NH2+]C2)c1 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[NH3+][C@@H]1CCC[C@H]1C(=O)NCCCc1ccccc1 ZINC000085365257 135482761 /nfs/dbraw/zinc/48/27/61/135482761.db2.gz XMYPZNVPWRTVLE-ZIAGYGMSSA-N 1 0 246.354 1.863 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000019435857 168294484 /nfs/dbraw/zinc/29/44/84/168294484.db2.gz QQFFZFTYQPTERE-ZJUUUORDSA-N 1 0 212.337 1.822 10 0 BDAERO C[N@H+](CCO[C@H]1CCCCO1)CC1CC(O)C1 ZINC000091498930 135562139 /nfs/dbraw/zinc/56/21/39/135562139.db2.gz LMQAVAOOWLFAOV-BPCQOVAHSA-N 1 0 243.347 1.232 10 0 BDAERO C[C@@H]1CCCN(Cc2cncc(F)c2)[C@@H]1C[NH3+] ZINC000231430421 135604462 /nfs/dbraw/zinc/60/44/62/135604462.db2.gz HHMFKPHPBOPVPV-ZWNOBZJWSA-N 1 0 237.322 1.780 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cnn(C(C)(C)C)c1 ZINC000334843936 135821095 /nfs/dbraw/zinc/82/10/95/135821095.db2.gz ROYWZPXKWITKIC-CMPLNLGQSA-N 1 0 236.363 1.560 10 0 BDAERO Cc1cc(F)cc2c1N(C(=O)C1C[NH2+]C1)CCC2 ZINC000335323003 136050730 /nfs/dbraw/zinc/05/07/30/136050730.db2.gz ARAPWUWXBMIKDF-UHFFFAOYSA-N 1 0 248.301 1.633 10 0 BDAERO 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C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H]1CCCCO1 ZINC000382206269 397921402 /nfs/dbraw/zinc/92/14/02/397921402.db2.gz UTESNBVYURFDPT-QJPTWQEYSA-N 1 0 229.364 1.941 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ncc(Cl)s2)C1 ZINC000306866053 397922381 /nfs/dbraw/zinc/92/23/81/397922381.db2.gz MYCZRGBGQSETGV-LURJTMIESA-N 1 0 217.725 1.913 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3ccnc32)C1 ZINC000382223719 397924505 /nfs/dbraw/zinc/92/45/05/397924505.db2.gz BIOUCTLREBPHHG-AXFHLTTASA-N 1 0 221.304 1.221 10 0 BDAERO C[C@@H]1CCN1[C@@]1(C[NH3+])CCCSC1 ZINC000575592331 397990890 /nfs/dbraw/zinc/99/08/90/397990890.db2.gz SYUVIKQVJRGTGP-NXEZZACHSA-N 1 0 200.351 1.305 10 0 BDAERO CCc1cc(N[C@H](CC[NH3+])C(F)F)nc(C)n1 ZINC000383456623 398020127 /nfs/dbraw/zinc/02/01/27/398020127.db2.gz NOEAEQFASJRCBX-SECBINFHSA-N 1 0 244.289 1.742 10 0 BDAERO COCC1(C[NH2+]CCn2cc(C)cn2)CCC1 ZINC000383521786 398024563 /nfs/dbraw/zinc/02/45/63/398024563.db2.gz NWIMKWBLKLUAFJ-UHFFFAOYSA-N 1 0 237.347 1.598 10 0 BDAERO CCc1ccc(O)c(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000087050100 398040445 /nfs/dbraw/zinc/04/04/45/398040445.db2.gz XDGXXJKISPPSPX-MRVPVSSYSA-N 1 0 222.288 1.501 10 0 BDAERO CC(C)(C)CNC(=O)N1CCC[C@H]1C[NH3+] ZINC000082642344 397986132 /nfs/dbraw/zinc/98/61/32/397986132.db2.gz VCIVIBXIMQYEFZ-VIFPVBQESA-N 1 0 213.325 1.165 10 0 BDAERO Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000384372598 398083693 /nfs/dbraw/zinc/08/36/93/398083693.db2.gz IVNKJNXCQXXZKC-AAEUAGOBSA-N 1 0 247.342 1.394 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)O[C@H]1C ZINC000384590089 398098810 /nfs/dbraw/zinc/09/88/10/398098810.db2.gz MHNAJBRBWVXBMA-YTWAJWBKSA-N 1 0 228.336 1.042 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)O[C@H]1C ZINC000384590088 398099043 /nfs/dbraw/zinc/09/90/43/398099043.db2.gz MHNAJBRBWVXBMA-RCWTZXSCSA-N 1 0 228.336 1.042 10 0 BDAERO CO[C@](C)(C[NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000381080596 398116713 /nfs/dbraw/zinc/11/67/13/398116713.db2.gz RHXSVUABINZRFW-QWHCGFSZSA-N 1 0 227.348 1.960 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)[C@H](C)O1 ZINC000384958176 398120491 /nfs/dbraw/zinc/12/04/91/398120491.db2.gz RZOAOGLWWLPUMO-MPPDQPJWSA-N 1 0 240.347 1.201 10 0 BDAERO O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CCCOCC1 ZINC000061932904 398109512 /nfs/dbraw/zinc/10/95/12/398109512.db2.gz DGFJONJRAVFWSF-UONOGXRCSA-N 1 0 233.311 1.367 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2cc(N)ns2)C1 ZINC000234351276 398124103 /nfs/dbraw/zinc/12/41/03/398124103.db2.gz OIMSOKDYTVQRTM-SSDOTTSWSA-N 1 0 212.322 1.089 10 0 BDAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncncc1Cl ZINC000389720897 398129247 /nfs/dbraw/zinc/12/92/47/398129247.db2.gz FUNXJAYDDXWVOU-CBAPKCEASA-N 1 0 226.711 1.540 10 0 BDAERO Cc1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)nc(C)n1 ZINC000389728372 398130084 /nfs/dbraw/zinc/13/00/84/398130084.db2.gz NEPGBZHGALZVRF-GZMMTYOYSA-N 1 0 220.320 1.503 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1c1nc(Cl)cs1 ZINC000306233424 398134752 /nfs/dbraw/zinc/13/47/52/398134752.db2.gz LTTPIKFAFACGQS-PHDIDXHHSA-N 1 0 217.725 1.722 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CC[C@@H](Cn2ccnc2)O1 ZINC000052575511 167006558 /nfs/dbraw/zinc/00/65/58/167006558.db2.gz CIJZUAFYHCEXOE-STQMWFEESA-N 1 0 237.347 1.676 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000401626516 533674823 /nfs/dbraw/zinc/67/48/23/533674823.db2.gz VWUDSAZCCYYVEU-GHMZBOCLSA-N 1 0 243.347 1.421 10 0 BDAERO C[NH2+]CCc1ncccc1Br ZINC000075624762 173361540 /nfs/dbraw/zinc/36/15/40/173361540.db2.gz OZBFQHHRHMVLPP-UHFFFAOYSA-N 1 0 215.094 1.606 10 0 BDAERO CC1(C)C[C@H]([NH2+]CC2CC(O)C2)C(C)(C)O1 ZINC000086927536 322869350 /nfs/dbraw/zinc/86/93/50/322869350.db2.gz TZHMHFPYAOOEQA-ILDUYXDCSA-N 1 0 227.348 1.693 10 0 BDAERO CC(C)[NH2+]CCCC(=O)NCCc1ccco1 ZINC000037633240 167098873 /nfs/dbraw/zinc/09/88/73/167098873.db2.gz WXCVBMRPJAJTFX-UHFFFAOYSA-N 1 0 238.331 1.717 10 0 BDAERO C[C@@H]1CN(c2ccc3nccnc3n2)[C@@H](C)C[NH2+]1 ZINC000094726513 487557175 /nfs/dbraw/zinc/55/71/75/487557175.db2.gz YUWPBVJEVWHGOA-ZJUUUORDSA-N 1 0 243.314 1.211 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)o1 ZINC000685581155 487557963 /nfs/dbraw/zinc/55/79/63/487557963.db2.gz XVBOUPAGXLTMTF-XCBNKYQSSA-N 1 0 237.303 1.048 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2ncnc3c2CCCC3)C1 ZINC000094872456 487561085 /nfs/dbraw/zinc/56/10/85/487561085.db2.gz UEGYBEFFMZQKFZ-LLVKDONJSA-N 1 0 246.358 1.544 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncnc2c1CCCC2 ZINC000094872578 487562274 /nfs/dbraw/zinc/56/22/74/487562274.db2.gz ZPGOJILEVJBDGO-JQWIXIFHSA-N 1 0 246.358 1.895 10 0 BDAERO CC[C@@H](NC(=O)CC1([NH3+])CCC1)C(C)C ZINC000086853471 487566479 /nfs/dbraw/zinc/56/64/79/487566479.db2.gz UBWIBZYQJWEUPV-SNVBAGLBSA-N 1 0 212.337 1.809 10 0 BDAERO CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1nccs1 ZINC000151925402 487575274 /nfs/dbraw/zinc/57/52/74/487575274.db2.gz MYHSFICCWPMYQG-DTWKUNHWSA-N 1 0 239.344 1.623 10 0 BDAERO CC(C)OCCC[NH2+]CCN1C[C@H]2CC[C@@H]1C2 ZINC000053432619 167220694 /nfs/dbraw/zinc/22/06/94/167220694.db2.gz QNCDHPHGIOSXFJ-UONOGXRCSA-N 1 0 240.391 1.875 10 0 BDAERO CC[C@H](C)[N@H+](CCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000393801581 487584128 /nfs/dbraw/zinc/58/41/28/487584128.db2.gz SQQOLMJQXUUMAC-YNEHKIRRSA-N 1 0 229.364 1.630 10 0 BDAERO COc1cccnc1N[C@H](CC[NH3+])C(F)F ZINC000383465400 487588808 /nfs/dbraw/zinc/58/88/08/487588808.db2.gz KRJLPJIHHLTLHB-SSDOTTSWSA-N 1 0 231.246 1.485 10 0 BDAERO OC1CC(C[NH2+]Cc2ccncc2Cl)C1 ZINC000084449173 322913475 /nfs/dbraw/zinc/91/34/75/322913475.db2.gz UKIOALSGJRZUQS-UHFFFAOYSA-N 1 0 226.707 1.596 10 0 BDAERO CCn1cc([C@H](C)[NH2+]C2CC(CO)C2)cn1 ZINC000658350063 487591013 /nfs/dbraw/zinc/59/10/13/487591013.db2.gz AIWWQPQNIBNECD-BMQDGWLCSA-N 1 0 223.320 1.325 10 0 BDAERO CC(C)[C@H](C)[N@@H+]1CCCO[C@@H](CN)C1 ZINC000306300621 487608336 /nfs/dbraw/zinc/60/83/36/487608336.db2.gz HQJFQLRRLRDYEF-QWRGUYRKSA-N 1 0 200.326 1.081 10 0 BDAERO CCC[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087121697 487609875 /nfs/dbraw/zinc/60/98/75/487609875.db2.gz MNTFJVANIRJAKL-AXFHLTTASA-N 1 0 212.337 1.679 10 0 BDAERO CO[C@H](CN[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000662264350 409561929 /nfs/dbraw/zinc/56/19/29/409561929.db2.gz JELOKKDCRRKWCN-VXGBXAGGSA-N 1 0 212.337 1.143 10 0 BDAERO CC(C)(C)c1cccc(OC[C@H](O)C[NH3+])c1 ZINC000037428837 409739415 /nfs/dbraw/zinc/73/94/15/409739415.db2.gz HZHKAQFMYBXBNX-LLVKDONJSA-N 1 0 223.316 1.683 10 0 BDAERO CC(C)(C)[C@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000040469105 409821716 /nfs/dbraw/zinc/82/17/16/409821716.db2.gz OANLTULEMAESNH-VHSXEESVSA-N 1 0 228.336 1.045 10 0 BDAERO CC1(C)C[C@@]1(C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662708768 409859951 /nfs/dbraw/zinc/85/99/51/409859951.db2.gz ZZZRHIZSKWUUNZ-ZWNOBZJWSA-N 1 0 224.348 1.823 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1c(C)[nH]c2ccccc21 ZINC000653138159 409861174 /nfs/dbraw/zinc/86/11/74/409861174.db2.gz KZNQCBIJWMQKMT-VIFPVBQESA-N 1 0 245.326 1.814 10 0 BDAERO COCCC[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000308912922 409937990 /nfs/dbraw/zinc/93/79/90/409937990.db2.gz MZQGSRUUGOIEPT-NEPJUHHUSA-N 1 0 215.337 1.506 10 0 BDAERO C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)c1ccccn1 ZINC000662843235 409949210 /nfs/dbraw/zinc/94/92/10/409949210.db2.gz RYIHKBJGPPPKAC-SMDDNHRTSA-N 1 0 247.342 1.443 10 0 BDAERO Brc1cc2c(o1)C[NH2+]CC2 ZINC000082381904 166096523 /nfs/dbraw/zinc/09/65/23/166096523.db2.gz SQXDEEMCWIIHIE-UHFFFAOYSA-N 1 0 202.051 1.688 10 0 BDAERO C[NH2+]C[C@H](C)Nc1cncc(Br)c1 ZINC000663281576 410096381 /nfs/dbraw/zinc/09/63/81/410096381.db2.gz YCSIMPWUQBIVKD-ZETCQYMHSA-N 1 0 244.136 1.864 10 0 BDAERO Brc1ccc(N2CC[NH2+]CC2)s1 ZINC000071561436 166097997 /nfs/dbraw/zinc/09/79/97/166097997.db2.gz NUJDVUSBSYQYBR-UHFFFAOYSA-N 1 0 247.161 1.920 10 0 BDAERO O=C(N[C@@H]1CC12CC2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653165897 410132722 /nfs/dbraw/zinc/13/27/22/410132722.db2.gz KTWNCMUORSANEN-BWZBUEFSSA-N 1 0 248.248 1.053 10 0 BDAERO Brc1cncc(OC[C@@H]2CC[NH2+]2)c1 ZINC000013781186 166104177 /nfs/dbraw/zinc/10/41/77/166104177.db2.gz RXDAKJWSDOQUGH-QMMMGPOBSA-N 1 0 243.104 1.585 10 0 BDAERO Brc1csc([C@@H]2CC[NH2+]C2)n1 ZINC000044122158 166106766 /nfs/dbraw/zinc/10/67/66/166106766.db2.gz DTNKYXIGHIUMRN-RXMQYKEDSA-N 1 0 233.134 1.983 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CSC1(C)C ZINC000669582410 487614870 /nfs/dbraw/zinc/61/48/70/487614870.db2.gz BGMJSZYMGCOAIM-HRDYMLBCSA-N 1 0 243.376 1.012 10 0 BDAERO Cc1noc2ncnc(NC[C@H]([NH3+])C3CC3)c12 ZINC000129341037 410369935 /nfs/dbraw/zinc/36/99/35/410369935.db2.gz VTTYVWVVKKVWAN-QMMMGPOBSA-N 1 0 233.275 1.075 10 0 BDAERO CC(=O)c1cccc(N(C)C[C@H](O)CC[NH3+])c1 ZINC000077372749 166475163 /nfs/dbraw/zinc/47/51/63/166475163.db2.gz PNNWOORENQQTOU-CYBMUJFWSA-N 1 0 236.315 1.035 10 0 BDAERO C[C@H](O)CC[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000393763199 410760037 /nfs/dbraw/zinc/76/00/37/410760037.db2.gz OUICNIACRZUZJD-QJPTWQEYSA-N 1 0 215.337 1.240 10 0 BDAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ncccn1)C2 ZINC000393763760 410761502 /nfs/dbraw/zinc/76/15/02/410761502.db2.gz OENFCJCSUUMIHM-JQWIXIFHSA-N 1 0 218.304 1.042 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)C1 ZINC000102277245 410832002 /nfs/dbraw/zinc/83/20/02/410832002.db2.gz BQCJANBLNCQVNT-QWRGUYRKSA-N 1 0 212.337 1.618 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@H](CO)c1ccccc1 ZINC000395319727 410845675 /nfs/dbraw/zinc/84/56/75/410845675.db2.gz KXYYJDFQUORCAK-UONOGXRCSA-N 1 0 234.343 1.404 10 0 BDAERO Cc1cc(C)nc(NCCC2(C[NH3+])CC2)n1 ZINC000395907807 410865861 /nfs/dbraw/zinc/86/58/61/410865861.db2.gz NSDYDJOKQFBGNE-UHFFFAOYSA-N 1 0 220.320 1.056 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCOc2ccccc2C1 ZINC000040677859 410886358 /nfs/dbraw/zinc/88/63/58/410886358.db2.gz COTVUYYORIJMMT-LBPRGKRZSA-N 1 0 248.326 1.535 10 0 BDAERO O[C@H]1CCC[C@H](C[N@@H+]2CCCSCC2)C1 ZINC000308925270 410822190 /nfs/dbraw/zinc/82/21/90/410822190.db2.gz PYGDTRDJVDARCZ-RYUDHWBXSA-N 1 0 229.389 1.976 10 0 BDAERO CC(C)C[NH2+][C@]1(C(N)=O)CCCC[C@H]1C ZINC000037946093 167015501 /nfs/dbraw/zinc/01/55/01/167015501.db2.gz HUQVVIAMAUSNFB-ZYHUDNBSSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)COC(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000037470248 167020682 /nfs/dbraw/zinc/02/06/82/167020682.db2.gz FMXJIKZELOQOQN-SNVBAGLBSA-N 1 0 214.309 1.463 10 0 BDAERO CC(C)N1CCc2nc(C[NH3+])sc2C1 ZINC000019817790 167026967 /nfs/dbraw/zinc/02/69/67/167026967.db2.gz QDFVVNVOTUQEJK-UHFFFAOYSA-N 1 0 211.334 1.368 10 0 BDAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]C[C@H]2C[C@H]2C)C1 ZINC000308931201 167027339 /nfs/dbraw/zinc/02/73/39/167027339.db2.gz FJRXQUXPICMBKK-LPWJVIDDSA-N 1 0 210.365 1.961 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccnc2)[C@@H](C)C1 ZINC000158825022 167034283 /nfs/dbraw/zinc/03/42/83/167034283.db2.gz LRAVMKDNDCOBJF-AAEUAGOBSA-N 1 0 247.342 1.540 10 0 BDAERO CC(C)NC(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950602 167066617 /nfs/dbraw/zinc/06/66/17/167066617.db2.gz YCLVFADCYCIPMG-UHFFFAOYSA-N 1 0 221.304 1.700 10 0 BDAERO CC(C)[NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000038010085 167097613 /nfs/dbraw/zinc/09/76/13/167097613.db2.gz HNAUMOJQAHGUDW-GFCCVEGCSA-N 1 0 248.326 1.104 10 0 BDAERO CC(C)[NH2+]CC1CCN(c2cnccn2)CC1 ZINC000053664678 167099682 /nfs/dbraw/zinc/09/96/82/167099682.db2.gz UWCCMXBJXRBUGK-UHFFFAOYSA-N 1 0 234.347 1.691 10 0 BDAERO CC(C)[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@H]23 ZINC000039287379 167100080 /nfs/dbraw/zinc/10/00/80/167100080.db2.gz GBTQINHCVZUEAU-FZMZJTMJSA-N 1 0 244.338 1.638 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000037633298 167102520 /nfs/dbraw/zinc/10/25/20/167102520.db2.gz FAHKFOKVRDWNOG-VXGBXAGGSA-N 1 0 242.363 1.448 10 0 BDAERO CC(C)[NH2+]CCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000043427168 167105097 /nfs/dbraw/zinc/10/50/97/167105097.db2.gz XTWUAUZSLFENHK-QWHCGFSZSA-N 1 0 226.364 1.628 10 0 BDAERO CC(C)[NH2+]CCN1CCCCCCC1=O ZINC000042409962 167105714 /nfs/dbraw/zinc/10/57/14/167105714.db2.gz RHPILIOWBVMFKK-UHFFFAOYSA-N 1 0 212.337 1.777 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(O)cc1 ZINC000002000969 167111063 /nfs/dbraw/zinc/11/10/63/167111063.db2.gz ADUKCCWBEDSMEB-LLVKDONJSA-N 1 0 225.288 1.130 10 0 BDAERO CC(C)[NH2+]C[C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000052951311 167111388 /nfs/dbraw/zinc/11/13/88/167111388.db2.gz HGCVIDXEWUXXBX-ZJUUUORDSA-N 1 0 219.350 1.055 10 0 BDAERO CC(C)[NH2+]C[C@H](O)COc1cccc2c1CCC2 ZINC000005760479 167115010 /nfs/dbraw/zinc/11/50/10/167115010.db2.gz GZDBSFAQFPWZFV-ZDUSSCGKSA-N 1 0 249.354 1.913 10 0 BDAERO CC(C)[NH2+]Cc1cccnc1N1CCCOCC1 ZINC000061935318 167121567 /nfs/dbraw/zinc/12/15/67/167121567.db2.gz IMCWNKSHFIBGKK-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO CC(C)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000061714496 167150156 /nfs/dbraw/zinc/15/01/56/167150156.db2.gz WUNJWBVFEIUNSB-UHFFFAOYSA-N 1 0 211.334 1.951 10 0 BDAERO CC(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1[NH3+] ZINC000104324287 167165318 /nfs/dbraw/zinc/16/53/18/167165318.db2.gz JMUXOOIUZGCXKL-NWDGAFQWSA-N 1 0 234.299 1.746 10 0 BDAERO CC(C)OCCOC[C@H](O)C[NH2+][C@@H](C)C1CC1 ZINC000037889467 167249125 /nfs/dbraw/zinc/24/91/25/167249125.db2.gz GEHRBNGHOFQTJG-WCQYABFASA-N 1 0 245.363 1.177 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@H]1CCO[C@@H]1C ZINC000308682507 167258903 /nfs/dbraw/zinc/25/89/03/167258903.db2.gz YCYDJIROCIBUDD-MXWKQRLJSA-N 1 0 201.310 1.567 10 0 BDAERO CC(C)Oc1ccc(NC[C@H](O)C[NH3+])cc1 ZINC000071531773 167297859 /nfs/dbraw/zinc/29/78/59/167297859.db2.gz PMNTYBDDAJQXOL-LLVKDONJSA-N 1 0 224.304 1.205 10 0 BDAERO CC(C)Oc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000061666014 167305135 /nfs/dbraw/zinc/30/51/35/167305135.db2.gz TWHWSDSHDODSKB-LBPRGKRZSA-N 1 0 248.326 1.566 10 0 BDAERO CC(C)[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123295755 167382735 /nfs/dbraw/zinc/38/27/35/167382735.db2.gz XWMHAKRLASFKMJ-NWDGAFQWSA-N 1 0 214.353 1.341 10 0 BDAERO CC(C)[C@@H](CN(C)C)[NH2+]CCc1ccncc1 ZINC000049205052 167394705 /nfs/dbraw/zinc/39/47/05/167394705.db2.gz UHIPBJLQWSTXGQ-CQSZACIVSA-N 1 0 235.375 1.800 10 0 BDAERO CC(C)[C@@H](C[NH3+])N1CCOCC1(C)C ZINC000042461421 167396936 /nfs/dbraw/zinc/39/69/36/167396936.db2.gz AXRNFOKXAXAVLK-SNVBAGLBSA-N 1 0 200.326 1.081 10 0 BDAERO CC(C)[C@@H](C[NH3+])Oc1ccc2c(c1)OCO2 ZINC000052648993 167397717 /nfs/dbraw/zinc/39/77/17/167397717.db2.gz ZDYKWHOXMIXYJJ-GFCCVEGCSA-N 1 0 223.272 1.777 10 0 BDAERO CC[NH+](CC)Cc1ccc(C(N)=O)cc1N ZINC000037271995 169791371 /nfs/dbraw/zinc/79/13/71/169791371.db2.gz GFENATWWAPWQPR-UHFFFAOYSA-N 1 0 221.304 1.210 10 0 BDAERO CC(C)c1cc(OC[C@@H]2CCC[NH2+]2)ncn1 ZINC000051866458 167576923 /nfs/dbraw/zinc/57/69/23/167576923.db2.gz HPOIBBQLCBELIM-JTQLQIEISA-N 1 0 221.304 1.731 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657890279 411154355 /nfs/dbraw/zinc/15/43/55/411154355.db2.gz UMMOCAMOLBVLCX-JHJVBQTASA-N 1 0 239.359 1.839 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC000309504613 411156194 /nfs/dbraw/zinc/15/61/94/411156194.db2.gz MQCNZTYMDHTIQV-ZJUUUORDSA-N 1 0 212.337 1.537 10 0 BDAERO COc1ncc(C[NH2+][C@H](C)[C@H]2CCCO2)s1 ZINC000309359334 411108180 /nfs/dbraw/zinc/10/81/80/411108180.db2.gz NUHWDNGTMTZBHZ-PSASIEDQSA-N 1 0 242.344 1.809 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1Cc2ccc(OC)cc2C1 ZINC000655502483 411111991 /nfs/dbraw/zinc/11/19/91/411111991.db2.gz NKNZDZRUEOSIGJ-ZDUSSCGKSA-N 1 0 248.326 1.665 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000300359581 411118060 /nfs/dbraw/zinc/11/80/60/411118060.db2.gz KTKDMRFHQBCERO-ZDCRXTMVSA-N 1 0 210.321 1.289 10 0 BDAERO CC1CC(C(=O)NC2CCC([NH3+])CC2)C1 ZINC000309390260 411121105 /nfs/dbraw/zinc/12/11/05/411121105.db2.gz FRSYTHDJQUZLPJ-UHFFFAOYSA-N 1 0 210.321 1.419 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H]1O)C[C@@H]1CCC[C@H](O)C1 ZINC000660124209 411242320 /nfs/dbraw/zinc/24/23/20/411242320.db2.gz JOXJACYNIMCQJW-ZOBORPQBSA-N 1 0 241.375 1.630 10 0 BDAERO Clc1cncc(OC[C@@H]2CCC[NH2+]2)c1 ZINC000003805139 411185183 /nfs/dbraw/zinc/18/51/83/411185183.db2.gz XBFQGMODEPSQFZ-VIFPVBQESA-N 1 0 212.680 1.866 10 0 BDAERO CCn1cc(NC(=O)C[C@@H]([NH3+])C(C)C)cn1 ZINC000128922406 411189483 /nfs/dbraw/zinc/18/94/83/411189483.db2.gz FGBUZLAXLDJYRB-SNVBAGLBSA-N 1 0 224.308 1.215 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccco1 ZINC000128915180 411190065 /nfs/dbraw/zinc/19/00/65/411190065.db2.gz MIRJDZOZFLYENR-NSHDSACASA-N 1 0 224.304 1.611 10 0 BDAERO COCC1(CC(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000401314483 411191528 /nfs/dbraw/zinc/19/15/28/411191528.db2.gz ZASRUPOWMMQLLG-QWRGUYRKSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000658003862 411194833 /nfs/dbraw/zinc/19/48/33/411194833.db2.gz VGKHQQVQACCJSS-AXFHLTTASA-N 1 0 242.388 1.529 10 0 BDAERO COc1ccc(-c2cnn(CCC[NH3+])c2)cc1 ZINC000049822099 411245963 /nfs/dbraw/zinc/24/59/63/411245963.db2.gz KHTYXEXBUGGIHT-UHFFFAOYSA-N 1 0 231.299 1.908 10 0 BDAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCNC1=O ZINC000658055767 411222113 /nfs/dbraw/zinc/22/21/13/411222113.db2.gz VVTMTNQMHOKGNP-GXSJLCMTSA-N 1 0 222.288 1.079 10 0 BDAERO O[C@@H]1CCC[C@H](CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000310454089 411238341 /nfs/dbraw/zinc/23/83/41/411238341.db2.gz WGNAHEUPZMZUPT-BFHYXJOUSA-N 1 0 238.375 1.318 10 0 BDAERO Cc1cnn(CC[NH2+]CCC2CCOCC2)c1 ZINC000310436028 411238356 /nfs/dbraw/zinc/23/83/56/411238356.db2.gz UEWXBAWCBGUTSG-UHFFFAOYSA-N 1 0 237.347 1.598 10 0 BDAERO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCC[NH2+]2)CCO1 ZINC000310483579 411239333 /nfs/dbraw/zinc/23/93/33/411239333.db2.gz MFIHZHDFMNJGFG-UTUOFQBUSA-N 1 0 240.347 1.202 10 0 BDAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cc(N)n[nH]1 ZINC000616598645 411240850 /nfs/dbraw/zinc/24/08/50/411240850.db2.gz SCHFPFGFZUMYMT-JTQLQIEISA-N 1 0 238.335 1.554 10 0 BDAERO CO[C@@H]1C[NH2+][C@](C)(CNCc2ccccc2)C1 ZINC000536958766 411265782 /nfs/dbraw/zinc/26/57/82/411265782.db2.gz IAGHOEJFPKEIBJ-KBPBESRZSA-N 1 0 234.343 1.543 10 0 BDAERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1(CO)CC1 ZINC000658155365 411268771 /nfs/dbraw/zinc/26/87/71/411268771.db2.gz PQFAEGBTUCKNJQ-IRCOFANPSA-N 1 0 239.359 1.551 10 0 BDAERO C[C@@H]1SCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000309842255 411276584 /nfs/dbraw/zinc/27/65/84/411276584.db2.gz QGRYBTAYQGDIKW-IDWGSYCQSA-N 1 0 242.388 1.514 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCn1cccc1 ZINC000656507528 411288054 /nfs/dbraw/zinc/28/80/54/411288054.db2.gz VQHVJTRZHCQPTJ-VXGBXAGGSA-N 1 0 208.305 1.381 10 0 BDAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCCF ZINC000186398238 411294257 /nfs/dbraw/zinc/29/42/57/411294257.db2.gz DTKCOKMXKKKRMJ-SNVBAGLBSA-N 1 0 203.257 1.374 10 0 BDAERO COc1cccc(C(=O)NC[C@@H]2CC[NH2+]C2)c1C ZINC000659303058 411295525 /nfs/dbraw/zinc/29/55/25/411295525.db2.gz FLMRSUNNRVTLRK-LLVKDONJSA-N 1 0 248.326 1.343 10 0 BDAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(F)cn1 ZINC000658355500 411298257 /nfs/dbraw/zinc/29/82/57/411298257.db2.gz IFWDYDOSCPARCM-FKTRJACZSA-N 1 0 224.279 1.642 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]12 ZINC000659305676 411299864 /nfs/dbraw/zinc/29/98/64/411299864.db2.gz JXRSTLLLSIPTEJ-BSKUUZOQSA-N 1 0 234.343 1.228 10 0 BDAERO COCC1(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)CCC1 ZINC000401731673 411305817 /nfs/dbraw/zinc/30/58/17/411305817.db2.gz DCRNYCSHCGHLST-RYUDHWBXSA-N 1 0 227.348 1.506 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ccc(OC(F)F)cn1 ZINC000656609260 411307388 /nfs/dbraw/zinc/30/73/88/411307388.db2.gz VTFFKWUONNBKDS-UHFFFAOYSA-N 1 0 245.273 1.857 10 0 BDAERO CC(C)Oc1cc(N(C)CC(C)(C)[NH3+])ncn1 ZINC000656608833 411307442 /nfs/dbraw/zinc/30/74/42/411307442.db2.gz NKDLWSBUTQOODD-UHFFFAOYSA-N 1 0 238.335 1.437 10 0 BDAERO CCCc1nsc(N(C)CC(C)(C)[NH3+])n1 ZINC000656609241 411307457 /nfs/dbraw/zinc/30/74/57/411307457.db2.gz UNNNWYKAXDGLSW-UHFFFAOYSA-N 1 0 228.365 1.664 10 0 BDAERO CCc1csc(N(C)CC(C)(C)[NH3+])n1 ZINC000656608986 411307561 /nfs/dbraw/zinc/30/75/61/411307561.db2.gz REDYVNSCLVXMHL-UHFFFAOYSA-N 1 0 213.350 1.879 10 0 BDAERO C[C@H](CCC1CC1)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658239021 411308144 /nfs/dbraw/zinc/30/81/44/411308144.db2.gz LDWKARQWKXMBAB-ZYHUDNBSSA-N 1 0 224.348 1.633 10 0 BDAERO [NH3+]C1(CNc2ncc(Cl)cn2)CCCC1 ZINC000656610352 411308650 /nfs/dbraw/zinc/30/86/50/411308650.db2.gz AGRHNTPNEGZUMA-UHFFFAOYSA-N 1 0 226.711 1.813 10 0 BDAERO CN1C[C@H](C[NH2+]C(C2CC2)C2CC2)CC1=O ZINC000658242587 411308801 /nfs/dbraw/zinc/30/88/01/411308801.db2.gz JBNWQJKFHQJUHP-VIFPVBQESA-N 1 0 222.332 1.243 10 0 BDAERO Cc1nnc2c(NCC3([NH3+])CCCC3)nccn12 ZINC000656610989 411309982 /nfs/dbraw/zinc/30/99/82/411309982.db2.gz XSVRDIBIHQRNPP-UHFFFAOYSA-N 1 0 246.318 1.116 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1ncccc1Cl ZINC000656611662 411310037 /nfs/dbraw/zinc/31/00/37/411310037.db2.gz FAIGSLZUZGSDMC-UHFFFAOYSA-N 1 0 223.707 1.663 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000658242834 411310203 /nfs/dbraw/zinc/31/02/03/411310203.db2.gz LINGDQPJUKFVSG-GXSJLCMTSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@H](CC1CCC1)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658244370 411310601 /nfs/dbraw/zinc/31/06/01/411310601.db2.gz SESFGCLLEJGOFT-ZYHUDNBSSA-N 1 0 224.348 1.633 10 0 BDAERO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658243207 411310765 /nfs/dbraw/zinc/31/07/65/411310765.db2.gz YJQWSUIRTQSLPL-MNOVXSKESA-N 1 0 226.364 1.879 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CS1 ZINC000655725075 411319211 /nfs/dbraw/zinc/31/92/11/411319211.db2.gz MYOKFIKNVJENPH-UTUOFQBUSA-N 1 0 244.404 1.191 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CS1 ZINC000655725074 411319278 /nfs/dbraw/zinc/31/92/78/411319278.db2.gz MYOKFIKNVJENPH-IJLUTSLNSA-N 1 0 244.404 1.191 10 0 BDAERO CC1(C)CC[NH+]([C@@H](CN)[C@H]2CCOC2)CC1 ZINC000061819024 167923264 /nfs/dbraw/zinc/92/32/64/167923264.db2.gz IZXXIEIFJPUCLM-RYUDHWBXSA-N 1 0 226.364 1.472 10 0 BDAERO Cn1cc(C[NH2+]C2CCCCC2)c(N)n1 ZINC000616575730 411257655 /nfs/dbraw/zinc/25/76/55/411257655.db2.gz CJMKCAWHBGATNQ-UHFFFAOYSA-N 1 0 208.309 1.425 10 0 BDAERO C[C@H]1C[C@@H](C[NH3+])CN1c1ncnc2c1CCCC2 ZINC000216172783 411349782 /nfs/dbraw/zinc/34/97/82/411349782.db2.gz CXNWQGZWQRMDDA-QWRGUYRKSA-N 1 0 246.358 1.529 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCc2cnn(C)c2)C1 ZINC000401851124 411350041 /nfs/dbraw/zinc/35/00/41/411350041.db2.gz UWQSWVOAOAHOLS-DGCLKSJQSA-N 1 0 237.347 1.055 10 0 BDAERO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC(CO)C1 ZINC000658351536 411353410 /nfs/dbraw/zinc/35/34/10/411353410.db2.gz NOZNYLLHOAIIIE-CBINBANVSA-N 1 0 235.331 1.158 10 0 BDAERO C[C@@H](Cn1ccnc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000304263096 411356356 /nfs/dbraw/zinc/35/63/56/411356356.db2.gz UGYZWKQMASWHIL-QWRGUYRKSA-N 1 0 225.336 1.268 10 0 BDAERO Cc1noc2ncnc(N3CCCC[C@@H]3C[NH3+])c12 ZINC000071194720 411365643 /nfs/dbraw/zinc/36/56/43/411365643.db2.gz LSSGPEAZMGQOTG-SECBINFHSA-N 1 0 247.302 1.244 10 0 BDAERO CC1(C)COCCN1[C@H](C[NH3+])c1ccco1 ZINC000042461427 167973340 /nfs/dbraw/zinc/97/33/40/167973340.db2.gz QPDSJPOKOCGHTQ-SNVBAGLBSA-N 1 0 224.304 1.390 10 0 BDAERO CC[C@@H](C)CCNC(=O)C1([NH3+])CCOCC1 ZINC000659340344 411367777 /nfs/dbraw/zinc/36/77/77/411367777.db2.gz KGWLZAFEXCOMGI-SNVBAGLBSA-N 1 0 228.336 1.047 10 0 BDAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000659340327 411367840 /nfs/dbraw/zinc/36/78/40/411367840.db2.gz STVISAUQNNKSEV-UWVGGRQHSA-N 1 0 212.337 1.537 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCCc1nc(C)cs1 ZINC000063135044 411343069 /nfs/dbraw/zinc/34/30/69/411343069.db2.gz WHTVDVUFTBNLPG-VIFPVBQESA-N 1 0 241.360 1.238 10 0 BDAERO CC1(C[C@H]([NH3+])c2cccs2)OCCO1 ZINC000041227042 168051940 /nfs/dbraw/zinc/05/19/40/168051940.db2.gz QHDZEESUIDSTKE-QMMMGPOBSA-N 1 0 213.302 1.901 10 0 BDAERO COc1ccccc1N(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116706 411348580 /nfs/dbraw/zinc/34/85/80/411348580.db2.gz AREJLJIXZCJXNZ-SNVBAGLBSA-N 1 0 234.299 1.268 10 0 BDAERO CC(C)(C)OC(=O)NC1(C)CC([NH3+])C1 ZINC000095743254 168058334 /nfs/dbraw/zinc/05/83/34/168058334.db2.gz GBSIQLWXIWQGFC-UHFFFAOYSA-N 1 0 200.282 1.391 10 0 BDAERO CC1(O)CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000126892142 168066301 /nfs/dbraw/zinc/06/63/01/168066301.db2.gz CEVPJRDQGYLQJV-ZDUSSCGKSA-N 1 0 247.338 1.837 10 0 BDAERO CC1([C@@H](CC[NH3+])c2ccccc2)OCCO1 ZINC000021990343 168072035 /nfs/dbraw/zinc/07/20/35/168072035.db2.gz UPYJZOKACALKFP-LBPRGKRZSA-N 1 0 221.300 1.882 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccoc2)C1 ZINC000659361614 411377350 /nfs/dbraw/zinc/37/73/50/411377350.db2.gz RFBCCKTULWJUHV-QWRGUYRKSA-N 1 0 222.288 1.066 10 0 BDAERO C[C@]1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1(F)F ZINC000659362417 411377731 /nfs/dbraw/zinc/37/77/31/411377731.db2.gz PHMSCKNGUJWDBE-WCABBAIRSA-N 1 0 246.301 1.523 10 0 BDAERO CC1(C[N@@H+]2CC[C@@H]3OCCN[C@@H]3C2)CCC1 ZINC000404193769 411381214 /nfs/dbraw/zinc/38/12/14/411381214.db2.gz IIBOUAXATFJMKB-NEPJUHHUSA-N 1 0 224.348 1.239 10 0 BDAERO CC1CC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000335594266 168144095 /nfs/dbraw/zinc/14/40/95/168144095.db2.gz XGVKHGKCMYLYTO-YIYTYNFBSA-N 1 0 210.321 1.289 10 0 BDAERO CC1CCC(C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000122132660 168149409 /nfs/dbraw/zinc/14/94/09/168149409.db2.gz VXDUNHAMIMIIFH-ILDUYXDCSA-N 1 0 210.321 1.372 10 0 BDAERO CC1CCC([NH3+])(C(=O)OCC2CC2)CC1 ZINC000040396819 168160375 /nfs/dbraw/zinc/16/03/75/168160375.db2.gz RTONRHSKFDHICG-UHFFFAOYSA-N 1 0 211.305 1.847 10 0 BDAERO CC1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062112449 168162560 /nfs/dbraw/zinc/16/25/60/168162560.db2.gz URHHVTMZQSBFHD-YVNMAJEFSA-N 1 0 210.321 1.291 10 0 BDAERO [NH3+]C1(C(=O)NCCCC2CCC2)CCOCC1 ZINC000659360619 411376239 /nfs/dbraw/zinc/37/62/39/411376239.db2.gz DEBZDJWYEPVMLL-UHFFFAOYSA-N 1 0 240.347 1.191 10 0 BDAERO CC1CC[NH+]([C@H](CN)C2CCOCC2)CC1 ZINC000052176462 168188089 /nfs/dbraw/zinc/18/80/89/168188089.db2.gz LNAQVIGEMBIORW-CYBMUJFWSA-N 1 0 226.364 1.472 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)C1CCC2(CC2)CC1 ZINC000659303446 411391066 /nfs/dbraw/zinc/39/10/66/411391066.db2.gz HNMLHVCYHFBRKA-NSHDSACASA-N 1 0 236.359 1.683 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2ccnc(N)c2)CC1 ZINC000616609561 411383376 /nfs/dbraw/zinc/38/33/76/411383376.db2.gz BTPZUMPCWNAUBM-SNVBAGLBSA-N 1 0 205.305 1.863 10 0 BDAERO CCC(C)(C)C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000054402044 168261329 /nfs/dbraw/zinc/26/13/29/168261329.db2.gz MXZAZHDJZGQOOM-JTQLQIEISA-N 1 0 212.337 1.633 10 0 BDAERO CCC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000054403830 168267611 /nfs/dbraw/zinc/26/76/11/168267611.db2.gz DDNOBZPHSNEHFD-UWVGGRQHSA-N 1 0 212.337 1.809 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC000019429797 168294416 /nfs/dbraw/zinc/29/44/16/168294416.db2.gz GNZZUQXQWIKZJY-VIFPVBQESA-N 1 0 200.326 1.665 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055086114 168295218 /nfs/dbraw/zinc/29/52/18/168295218.db2.gz XYALXMRKDIPWSO-UWVGGRQHSA-N 1 0 212.337 1.809 10 0 BDAERO CCC(C)(C)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000036850847 168303101 /nfs/dbraw/zinc/30/31/01/168303101.db2.gz HCXJIGAOSQCXHR-VIFPVBQESA-N 1 0 226.320 1.301 10 0 BDAERO CC[C@H](C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000659339986 411398930 /nfs/dbraw/zinc/39/89/30/411398930.db2.gz FNOTZOIFOVAOPC-RYUDHWBXSA-N 1 0 226.364 1.929 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](OC(C)C)C1 ZINC000404546958 411400749 /nfs/dbraw/zinc/40/07/49/411400749.db2.gz IWIPQCAEWKEXBU-NEPJUHHUSA-N 1 0 242.363 1.530 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H](OC(C)C)C1 ZINC000404546961 411400815 /nfs/dbraw/zinc/40/08/15/411400815.db2.gz IWIPQCAEWKEXBU-RYUDHWBXSA-N 1 0 242.363 1.530 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCC1=CCCC1 ZINC000659379759 411406860 /nfs/dbraw/zinc/40/68/60/411406860.db2.gz NZWBDEUMLAFHMT-GFCCVEGCSA-N 1 0 222.332 1.603 10 0 BDAERO CC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056075 411406933 /nfs/dbraw/zinc/40/69/33/411406933.db2.gz SRMMVGYFOGBCRL-BWZBUEFSSA-N 1 0 238.253 1.299 10 0 BDAERO CC[N@@H+]1CCCOC[C@H]1c1ccc(CO)cc1 ZINC000616648908 411411913 /nfs/dbraw/zinc/41/19/13/411411913.db2.gz GRYAVYQMZBYSMU-AWEZNQCLSA-N 1 0 235.327 1.962 10 0 BDAERO Cc1nnc(NC(=O)C[C@H]([NH3+])C(C)C)s1 ZINC000129887035 411413279 /nfs/dbraw/zinc/41/32/79/411413279.db2.gz QQVLARSBUYENSN-ZETCQYMHSA-N 1 0 228.321 1.158 10 0 BDAERO C[C@@]1(C(=O)N2CCCC(F)(F)C2)CCCC[NH2+]1 ZINC000405091338 411417087 /nfs/dbraw/zinc/41/70/87/411417087.db2.gz WGNPATJUBFPGDM-NSHDSACASA-N 1 0 246.301 1.776 10 0 BDAERO CCN(C[C@@H](C)C[NH3+])C(=O)c1ccc(F)cc1 ZINC000042441220 169879902 /nfs/dbraw/zinc/87/99/02/169879902.db2.gz IHEKVTUCGGMPIM-JTQLQIEISA-N 1 0 238.306 1.883 10 0 BDAERO Cc1cc(C(C)C)nc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000122564529 411432994 /nfs/dbraw/zinc/43/29/94/411432994.db2.gz LFEHOZGIMGOHCO-NSHDSACASA-N 1 0 234.347 1.707 10 0 BDAERO Cc1cc(C(C)C)nc(N2CCC[C@@H]2C[NH3+])n1 ZINC000122605337 411434300 /nfs/dbraw/zinc/43/43/00/411434300.db2.gz NZNDLPPPDISFCV-LLVKDONJSA-N 1 0 234.347 1.836 10 0 BDAERO CC[C@@H]1CN(c2cc(C)ncn2)CC[C@@H]1[NH3+] ZINC000122951094 411436355 /nfs/dbraw/zinc/43/63/55/411436355.db2.gz RKTUSLJEHNPDHE-MNOVXSKESA-N 1 0 220.320 1.349 10 0 BDAERO CC[C@@H]1CN(c2nccc(OC)n2)CC[C@@H]1[NH3+] ZINC000122965442 411437467 /nfs/dbraw/zinc/43/74/67/411437467.db2.gz BCHKIQDMQPHTQF-ZJUUUORDSA-N 1 0 236.319 1.049 10 0 BDAERO C[C@H]([NH3+])CCNCc1ncc(Cl)s1 ZINC000414823014 411448397 /nfs/dbraw/zinc/44/83/97/411448397.db2.gz OBLSCONBSQLTNK-LURJTMIESA-N 1 0 219.741 1.623 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C)o1 ZINC000053038426 411474774 /nfs/dbraw/zinc/47/47/74/411474774.db2.gz YBRIMMICFBBGTO-LDYMZIIASA-N 1 0 224.304 1.578 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@@H]2CCCC[C@H]2CO)n1 ZINC000657369728 411483456 /nfs/dbraw/zinc/48/34/56/411483456.db2.gz CVCCVVRRKAKZJJ-WDEREUQCSA-N 1 0 223.320 1.359 10 0 BDAERO CCN(c1ccccc1C)S(=O)(=O)CC[NH3+] ZINC000019279534 169943532 /nfs/dbraw/zinc/94/35/32/169943532.db2.gz WKWYCZHYSSELJY-UHFFFAOYSA-N 1 0 242.344 1.110 10 0 BDAERO COc1cccnc1N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000127496586 411492654 /nfs/dbraw/zinc/49/26/54/411492654.db2.gz MRSCMVSLXGKLCE-WDEREUQCSA-N 1 0 235.331 1.654 10 0 BDAERO FC1(F)C[C@H]1OCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659901392 411492738 /nfs/dbraw/zinc/49/27/38/411492738.db2.gz PLBLBMAIELEMSW-GHMZBOCLSA-N 1 0 246.301 1.191 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657422330 411502750 /nfs/dbraw/zinc/50/27/50/411502750.db2.gz WDLONJOKVIJASD-GXSJLCMTSA-N 1 0 221.304 1.096 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnccn1 ZINC000177016345 169970358 /nfs/dbraw/zinc/97/03/58/169970358.db2.gz YWLZXRQBZRLHQU-LLVKDONJSA-N 1 0 248.330 1.033 10 0 BDAERO CC[C@](C)(NC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000638859069 411510554 /nfs/dbraw/zinc/51/05/54/411510554.db2.gz XNZQWNHFRWOJQS-NDMJEZRESA-N 1 0 224.348 1.809 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2c(C)cnn2C)C1 ZINC000352771758 169976221 /nfs/dbraw/zinc/97/62/21/169976221.db2.gz NZNCKYFBZYQIDK-LBPRGKRZSA-N 1 0 236.363 1.302 10 0 BDAERO CCOC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000659982459 411518037 /nfs/dbraw/zinc/51/80/37/411518037.db2.gz NMWAVZVHEBFHJF-MGPQQGTHSA-N 1 0 241.375 1.896 10 0 BDAERO OC[C@@H]1C[N@H+](CCCC2CCC2)CCO1 ZINC000659997889 411523617 /nfs/dbraw/zinc/52/36/17/411523617.db2.gz DWZJKGUVLXRCNI-LBPRGKRZSA-N 1 0 213.321 1.260 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CO1 ZINC000657327064 411465885 /nfs/dbraw/zinc/46/58/85/411465885.db2.gz UIYRSWCOABUQGE-WRWGMCAJSA-N 1 0 213.321 1.447 10 0 BDAERO CCN1CC[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336894745 170020142 /nfs/dbraw/zinc/02/01/42/170020142.db2.gz MCSFPKZDDYIHPL-NSHDSACASA-N 1 0 228.405 1.956 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000306682632 170022184 /nfs/dbraw/zinc/02/21/84/170022184.db2.gz RXYOYGOCKJTNQP-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO CC[N@@H+]1CCc2nc(N)cnc2[C@@H](C)C1 ZINC000039101096 170025842 /nfs/dbraw/zinc/02/58/42/170025842.db2.gz GHNCOFSNOBJKDA-QMMMGPOBSA-N 1 0 206.293 1.040 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000336762931 170029431 /nfs/dbraw/zinc/02/94/31/170029431.db2.gz OJTPMIXUAVPOAR-PWSUYJOCSA-N 1 0 208.305 1.709 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]C2CCOCC2)C1 ZINC000309031348 170031259 /nfs/dbraw/zinc/03/12/59/170031259.db2.gz DYPXRPRAHOHIJZ-ZYHUDNBSSA-N 1 0 212.337 1.095 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]CC2(SC)CC2)C1 ZINC000336760136 170032087 /nfs/dbraw/zinc/03/20/87/170032087.db2.gz LMWXYLYVYIWLNU-GHMZBOCLSA-N 1 0 228.405 1.812 10 0 BDAERO CCN1C[C@H]([NH2+][C@H](C)c2cn[nH]c2)[C@@H](C)C1 ZINC000309982173 170037067 /nfs/dbraw/zinc/03/70/67/170037067.db2.gz WPLNDVAFJFAYIF-UMNHJUIQSA-N 1 0 222.336 1.401 10 0 BDAERO CCN1C[C@H]([NH2+]Cc2scnc2C)[C@@H](C)C1 ZINC000309653234 170037239 /nfs/dbraw/zinc/03/72/39/170037239.db2.gz OWTXMKSDLAHLNO-ONGXEEELSA-N 1 0 239.388 1.881 10 0 BDAERO CCN1C[C@H]([NH2+][C@H](COC)C2CC2)[C@@H](C)C1 ZINC000309835932 170037381 /nfs/dbraw/zinc/03/73/81/170037381.db2.gz BBRVPIPVZRUAOV-WCFLWFBJSA-N 1 0 226.364 1.341 10 0 BDAERO CCNC(=O)CC[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000123863468 170050844 /nfs/dbraw/zinc/05/08/44/170050844.db2.gz VNCABPIIFKTKNV-VXGBXAGGSA-N 1 0 242.363 1.138 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1cccc(C)c1 ZINC000076616986 170053812 /nfs/dbraw/zinc/05/38/12/170053812.db2.gz HRBKQKWBQQQBHV-CYBMUJFWSA-N 1 0 234.343 1.954 10 0 BDAERO CCNC(=O)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000036780296 170065242 /nfs/dbraw/zinc/06/52/42/170065242.db2.gz CJDFHIGSSXUHLQ-LLVKDONJSA-N 1 0 246.354 1.962 10 0 BDAERO CCNC(=O)COc1ccccc1C[C@@H](C)[NH3+] ZINC000037724240 170068646 /nfs/dbraw/zinc/06/86/46/170068646.db2.gz QRKFNDHRPHJHCO-SNVBAGLBSA-N 1 0 236.315 1.091 10 0 BDAERO CCNC(=O)N(CC)c1ccc(C[NH3+])cc1 ZINC000034654301 170072354 /nfs/dbraw/zinc/07/23/54/170072354.db2.gz QKSBAEPLKOMALR-UHFFFAOYSA-N 1 0 221.304 1.701 10 0 BDAERO CCNC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916292 170073754 /nfs/dbraw/zinc/07/37/54/170073754.db2.gz SBXQFRMXXDSBBM-NSHDSACASA-N 1 0 225.336 1.180 10 0 BDAERO CCNC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000124326726 170075134 /nfs/dbraw/zinc/07/51/34/170075134.db2.gz RXTUSMJMDKMBHO-WDEREUQCSA-N 1 0 225.336 1.275 10 0 BDAERO C[N@@H+](Cc1cn[nH]c1)C[C@@H]1CCC[C@@H](O)C1 ZINC000660091290 411535915 /nfs/dbraw/zinc/53/59/15/411535915.db2.gz HKSNCEZNDOAKIY-ZYHUDNBSSA-N 1 0 223.320 1.393 10 0 BDAERO CCNC(=O)[C@@H](C)N(CC[NH3+])C1CCCCC1 ZINC000104312972 170086406 /nfs/dbraw/zinc/08/64/06/170086406.db2.gz RTHQSUFTPNKDHN-LLVKDONJSA-N 1 0 241.379 1.104 10 0 BDAERO CCNC(=O)[C@H](C)N1Cc2ccccc2C1=[NH2+] ZINC000049217079 170092538 /nfs/dbraw/zinc/09/25/38/170092538.db2.gz FRKRIRCFKGOMIQ-VIFPVBQESA-N 1 0 231.299 1.352 10 0 BDAERO CCNC(=O)[C@H](CC[NH3+])c1ccc(N(C)C)cc1 ZINC000076635825 170097572 /nfs/dbraw/zinc/09/75/72/170097572.db2.gz OLXSRBBZOYQKCC-CYBMUJFWSA-N 1 0 249.358 1.321 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1ccccc1F ZINC000076620472 170097980 /nfs/dbraw/zinc/09/79/80/170097980.db2.gz XGPCHUQIJJSFLV-LLVKDONJSA-N 1 0 238.306 1.784 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCCSCC1 ZINC000061298978 170106607 /nfs/dbraw/zinc/10/66/07/170106607.db2.gz ZXCRYALXPASBKN-UHFFFAOYSA-N 1 0 230.377 1.340 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000061287698 170107556 /nfs/dbraw/zinc/10/75/56/170107556.db2.gz KKCGBTLWDAJWOL-PHIMTYICSA-N 1 0 226.364 1.879 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1ncccc1C ZINC000061288194 170107812 /nfs/dbraw/zinc/10/78/12/170107812.db2.gz GHYGUCBQOAHBQF-UHFFFAOYSA-N 1 0 221.304 1.717 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCn2ccnc2C1 ZINC000062321374 170107852 /nfs/dbraw/zinc/10/78/52/170107852.db2.gz RKEXQFRAWPVWCG-UHFFFAOYSA-N 1 0 222.336 1.087 10 0 BDAERO CC[NH2+]CCN1CCO[C@H]2CCCC[C@@H]21 ZINC000044420599 170113195 /nfs/dbraw/zinc/11/31/95/170113195.db2.gz OOICZYUUBGVTKA-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+]CCOCc1ccc(C(=O)OC)cc1 ZINC000074525278 170116623 /nfs/dbraw/zinc/11/66/23/170116623.db2.gz OBZUJJDVAKIEJV-UHFFFAOYSA-N 1 0 237.299 1.599 10 0 BDAERO CC[NH2+]CCc1ccc(OC)c(NC(C)=O)c1 ZINC000107290587 170117164 /nfs/dbraw/zinc/11/71/64/170117164.db2.gz GEWHURQKDJITQX-UHFFFAOYSA-N 1 0 236.315 1.806 10 0 BDAERO CC[NH2+]CCn1ncc(=O)c2ccccc21 ZINC000042410432 170117978 /nfs/dbraw/zinc/11/79/78/170117978.db2.gz CVLDGGPZDYYUNV-UHFFFAOYSA-N 1 0 217.272 1.006 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(C)CCc1ccccc1 ZINC000061236823 170118455 /nfs/dbraw/zinc/11/84/55/170118455.db2.gz LEVKVBZKXZXXGK-CYBMUJFWSA-N 1 0 248.370 1.933 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)NCCCOCC(C)C ZINC000061229023 170119287 /nfs/dbraw/zinc/11/92/87/170119287.db2.gz CTZKUVBTTZVZMA-GFCCVEGCSA-N 1 0 244.379 1.411 10 0 BDAERO CC[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000002645992 170121979 /nfs/dbraw/zinc/12/19/79/170121979.db2.gz IPZZZYBQIOUMGE-NSHDSACASA-N 1 0 243.734 1.827 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1C(F)(F)F ZINC000095091538 170122343 /nfs/dbraw/zinc/12/23/43/170122343.db2.gz QWKMITBBHBEMFJ-MRVPVSSYSA-N 1 0 210.243 1.970 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1ncccc1C ZINC000053696427 170122746 /nfs/dbraw/zinc/12/27/46/170122746.db2.gz XGUFPJGOEULMQG-GFCCVEGCSA-N 1 0 219.332 1.968 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1cnccn1 ZINC000053696492 170122833 /nfs/dbraw/zinc/12/28/33/170122833.db2.gz QYJGTXWJDGRRDQ-SNVBAGLBSA-N 1 0 206.293 1.055 10 0 BDAERO CC[NH2+]C[C@H](O)c1cccc(OCC)c1 ZINC000032012211 170122926 /nfs/dbraw/zinc/12/29/26/170122926.db2.gz JWFWEUQXZOGTAN-LBPRGKRZSA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1CCn1cccn1 ZINC000053650953 170123071 /nfs/dbraw/zinc/12/30/71/170123071.db2.gz LYUXVFMFZBGQQE-CYBMUJFWSA-N 1 0 236.363 1.347 10 0 BDAERO CC[NH2+]Cc1cc(-n2ccnc2C)ccn1 ZINC000051491048 170124839 /nfs/dbraw/zinc/12/48/39/170124839.db2.gz MMZMYTRWRITFKB-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1cc(Cl)nc(Cl)n1 ZINC000072194565 170125534 /nfs/dbraw/zinc/12/55/34/170125534.db2.gz XEQCHAKBQRVWDN-UHFFFAOYSA-N 1 0 206.076 1.893 10 0 BDAERO CC[NH2+]Cc1ccccc1N(CC(N)=O)C(C)C ZINC000042438430 170128416 /nfs/dbraw/zinc/12/84/16/170128416.db2.gz JLOZYBZIMLZVTK-UHFFFAOYSA-N 1 0 249.358 1.496 10 0 BDAERO CC[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000034816333 170128665 /nfs/dbraw/zinc/12/86/65/170128665.db2.gz GLHVUXRISSBWQS-UHFFFAOYSA-N 1 0 236.315 1.263 10 0 BDAERO CC[NH2+]Cc1ccccc1N1CCNC(=O)CC1 ZINC000062101558 170129528 /nfs/dbraw/zinc/12/95/28/170129528.db2.gz BPDBRIRJMCJABJ-UHFFFAOYSA-N 1 0 247.342 1.122 10 0 BDAERO CC[NH2+]Cc1cnn(-c2cccc(C)c2)n1 ZINC000051174754 170130651 /nfs/dbraw/zinc/13/06/51/170130651.db2.gz OKIWLRTXDYKQIJ-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H](C)Cc1ccccc1 ZINC000062191656 170131471 /nfs/dbraw/zinc/13/14/71/170131471.db2.gz MJWFRKBUEIKJTF-NSHDSACASA-N 1 0 245.330 1.586 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1cccc(OCC)c1 ZINC000054762305 170131551 /nfs/dbraw/zinc/13/15/51/170131551.db2.gz HTSRGSCIKNNQMP-UHFFFAOYSA-N 1 0 247.302 1.171 10 0 BDAERO CC[NH2+]Cc1sc(COC)nc1C ZINC000052330425 170132532 /nfs/dbraw/zinc/13/25/32/170132532.db2.gz VYOYVXAWFUOVIB-UHFFFAOYSA-N 1 0 200.307 1.707 10 0 BDAERO CC[NH2+]Cc1sc(CCOC)nc1C ZINC000052330407 170132823 /nfs/dbraw/zinc/13/28/23/170132823.db2.gz WBRKUNDQKGYFGR-UHFFFAOYSA-N 1 0 214.334 1.750 10 0 BDAERO CC[NH2+][C@@H](CC)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035545795 170143599 /nfs/dbraw/zinc/14/35/99/170143599.db2.gz PGDFMDQISASUFE-VIFPVBQESA-N 1 0 219.288 1.917 10 0 BDAERO CC[NH2+][C@@H](c1cccnc1)c1cncnc1 ZINC000052887089 170148929 /nfs/dbraw/zinc/14/89/29/170148929.db2.gz GBAUHVCBDRGPFQ-LBPRGKRZSA-N 1 0 214.272 1.571 10 0 BDAERO CC[NH2+][C@@H]1CCCc2nc(N(C)C)ncc21 ZINC000050100902 170151328 /nfs/dbraw/zinc/15/13/28/170151328.db2.gz BRVHSWKVYAOAEO-SNVBAGLBSA-N 1 0 220.320 1.530 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000049647559 170151589 /nfs/dbraw/zinc/15/15/89/170151589.db2.gz GAPMXNKPEDSTEP-GFCCVEGCSA-N 1 0 218.300 1.397 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1=O ZINC000049647581 170152176 /nfs/dbraw/zinc/15/21/76/170152176.db2.gz FNSLAHSJPOBMMN-WCQYABFASA-N 1 0 232.327 1.958 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@H](C)c2ccc(C)o2)C1=O ZINC000049649224 170153166 /nfs/dbraw/zinc/15/31/66/170153166.db2.gz VDMCPYQMNJUXCE-GHMZBOCLSA-N 1 0 236.315 1.859 10 0 BDAERO CC[NH2+][C@@]1(C(N)=O)CCc2ccccc2C1 ZINC000037870637 170156107 /nfs/dbraw/zinc/15/61/07/170156107.db2.gz AJMUNXMVROSIDD-ZDUSSCGKSA-N 1 0 218.300 1.009 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1ccc(C(C)C)cc1 ZINC000037869703 170156224 /nfs/dbraw/zinc/15/62/24/170156224.db2.gz KDUYCSORZDKQOZ-LBPRGKRZSA-N 1 0 220.316 1.946 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@@H]1CCCO ZINC000061274749 170156761 /nfs/dbraw/zinc/15/67/61/170156761.db2.gz HNPGSCJTRQYQSJ-VXGBXAGGSA-N 1 0 242.363 1.138 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCOCC1(C)C ZINC000061274069 170156958 /nfs/dbraw/zinc/15/69/58/170156958.db2.gz CWDYFUHVDUIGMS-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000035645445 170159426 /nfs/dbraw/zinc/15/94/26/170159426.db2.gz IHHHDEXLHPYLEI-MRVPVSSYSA-N 1 0 207.277 1.848 10 0 BDAERO CC[NH2+][C@H](CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443509 170161758 /nfs/dbraw/zinc/16/17/58/170161758.db2.gz AODWTWXIYMBVQV-GRYCIOLGSA-N 1 0 242.363 1.702 10 0 BDAERO CC[NH2+][C@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000062439432 170161792 /nfs/dbraw/zinc/16/17/92/170161792.db2.gz XPOOXIOKWQQGJP-GRYCIOLGSA-N 1 0 242.363 1.417 10 0 BDAERO CC[NH2+][C@H](CC1CCOCC1)c1ncccn1 ZINC000053829159 170161870 /nfs/dbraw/zinc/16/18/70/170161870.db2.gz KFZKJJCCJFUSCA-GFCCVEGCSA-N 1 0 235.331 1.944 10 0 BDAERO CC[NH2+][C@H](CC[N@@H+]1CC[C@H](C)C[C@@H]1C)C(=O)[O-] ZINC000062531442 170161894 /nfs/dbraw/zinc/16/18/94/170161894.db2.gz AERZMKNTWZYZCT-SDDRHHMPSA-N 1 0 242.363 1.560 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH+]1CC2(C1)CC(F)(F)C2 ZINC000660146280 411545546 /nfs/dbraw/zinc/54/55/46/411545546.db2.gz FYYZURHGYOXDRX-RKDXNWHRSA-N 1 0 217.259 1.631 10 0 BDAERO CC[NH2+][C@H](CN1CCN(C)C1=O)c1ccccc1 ZINC000052885613 170162684 /nfs/dbraw/zinc/16/26/84/170162684.db2.gz IDINUULXORCPNE-CYBMUJFWSA-N 1 0 247.342 1.705 10 0 BDAERO CC[NH2+][C@H]1CC2(OCCO2)c2ccccc21 ZINC000021988508 170165649 /nfs/dbraw/zinc/16/56/49/170165649.db2.gz YMGZWGROHGBBNX-LBPRGKRZSA-N 1 0 219.284 1.941 10 0 BDAERO CC[NH2+][C@H]1CCCCCC[C@H]1S(C)(=O)=O ZINC000054930369 170165687 /nfs/dbraw/zinc/16/56/87/170165687.db2.gz XXJXTSLUYOEPFG-WDEREUQCSA-N 1 0 233.377 1.732 10 0 BDAERO CC[NH2+][C@H]1CCC[C@@H]1N1CCOC(C)(C)C1 ZINC000043897823 170167177 /nfs/dbraw/zinc/16/71/77/170167177.db2.gz FTZYPXKHOIKKBI-RYUDHWBXSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+][C@H]1CCN(CCCc2ccccc2)C1=O ZINC000049648862 170167235 /nfs/dbraw/zinc/16/72/35/170167235.db2.gz FILCVXICSHWSNR-AWEZNQCLSA-N 1 0 246.354 1.830 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccccc2CC)C1=O ZINC000049647627 170167722 /nfs/dbraw/zinc/16/77/22/170167722.db2.gz CGUBLKFTZWLOOX-LBPRGKRZSA-N 1 0 232.327 1.964 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cccs2)C1 ZINC000037483615 170168190 /nfs/dbraw/zinc/16/81/90/170168190.db2.gz WGIILLCCMISZAP-JTQLQIEISA-N 1 0 210.346 1.932 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cccs2)C1=O ZINC000049648687 170168206 /nfs/dbraw/zinc/16/82/06/170168206.db2.gz GPKIGCUKZVUQEE-JTQLQIEISA-N 1 0 224.329 1.459 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cnn(CC)c2)C1 ZINC000035781172 170168664 /nfs/dbraw/zinc/16/86/64/170168664.db2.gz PMMRKFDDNQDUBJ-JTQLQIEISA-N 1 0 208.309 1.091 10 0 BDAERO CCN[C@H]1c2cccc(F)c2S(=O)(=O)[C@H]1C ZINC000043636551 170169421 /nfs/dbraw/zinc/16/94/21/170169421.db2.gz MMJABFWJTZIBJH-OIBJUYFYSA-N 1 0 243.303 1.652 10 0 BDAERO CCNc1ncccc1C[N@@H+]1CCC[C@H]1CO ZINC000052728243 170178013 /nfs/dbraw/zinc/17/80/13/170178013.db2.gz XKJSNFLHKZIUGE-LBPRGKRZSA-N 1 0 235.331 1.470 10 0 BDAERO CCNc1ncccc1CN(C)CC[NH+](C)C ZINC000104195866 170178147 /nfs/dbraw/zinc/17/81/47/170178147.db2.gz AXOVBXWKCBOBAN-UHFFFAOYSA-N 1 0 236.363 1.507 10 0 BDAERO CCOC(=O)CC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009824 170209595 /nfs/dbraw/zinc/20/95/95/170209595.db2.gz ROGBKDJUFCGVEL-LBPRGKRZSA-N 1 0 249.310 1.533 10 0 BDAERO CCOC(=O)CCn1c(N)[nH+]c2ccccc21 ZINC000041678363 170212425 /nfs/dbraw/zinc/21/24/25/170212425.db2.gz QYHUMGFDJSALSP-UHFFFAOYSA-N 1 0 233.271 1.572 10 0 BDAERO CCOC(=O)CN[C@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000037563759 170226061 /nfs/dbraw/zinc/22/60/61/170226061.db2.gz RJHVSUHXAZMCRB-NEPJUHHUSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)COc1cccc2c1CC[C@H]2[NH2+]C ZINC000062799239 170229418 /nfs/dbraw/zinc/22/94/18/170229418.db2.gz FXEKKYYJTAVATJ-GFCCVEGCSA-N 1 0 249.310 1.835 10 0 BDAERO CCOC(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000019424573 170242064 /nfs/dbraw/zinc/24/20/64/170242064.db2.gz MELVMCMTZZNBMO-VIFPVBQESA-N 1 0 200.282 1.265 10 0 BDAERO CCOC(=O)[C@@H](CC[N@H+](C)CCC(C)C)NC ZINC000062526055 170250906 /nfs/dbraw/zinc/25/09/06/170250906.db2.gz HLFAEQNFNWKGSN-GFCCVEGCSA-N 1 0 244.379 1.506 10 0 BDAERO CCOC(=O)[C@@H](CC[N@H+](C)CC1CCC1)NC ZINC000062532304 170251288 /nfs/dbraw/zinc/25/12/88/170251288.db2.gz DKLVKDHDHAOSEY-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])Cc1ccc(F)c(C)c1 ZINC000050544406 170251692 /nfs/dbraw/zinc/25/16/92/170251692.db2.gz NKBPEXZDWLBMPZ-LLVKDONJSA-N 1 0 239.290 1.815 10 0 BDAERO CCOC(=O)[C@H](CC(C)(C)C)N1CC[NH2+]CC1 ZINC000061840407 170270265 /nfs/dbraw/zinc/27/02/65/170270265.db2.gz NBVUZGINHKONNA-NSHDSACASA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])Cc1ccc(F)c(C)c1 ZINC000050544405 170273078 /nfs/dbraw/zinc/27/30/78/170273078.db2.gz NKBPEXZDWLBMPZ-NSHDSACASA-N 1 0 239.290 1.815 10 0 BDAERO CCOC(=O)c1ccc([C@@H]2CC[NH2+]C2)nc1 ZINC000095761607 170298092 /nfs/dbraw/zinc/29/80/92/170298092.db2.gz QKLSWAKEIFJZJS-SECBINFHSA-N 1 0 220.272 1.335 10 0 BDAERO CCOC(=O)c1cnc([C@@H]2CCC[NH2+]2)nc1 ZINC000095757305 170302585 /nfs/dbraw/zinc/30/25/85/170302585.db2.gz CLMXMPGWAFNULH-VIFPVBQESA-N 1 0 221.260 1.078 10 0 BDAERO CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)cs1 ZINC000083254830 170308240 /nfs/dbraw/zinc/30/82/40/170308240.db2.gz LFIOHMRRBGMFEO-QMMMGPOBSA-N 1 0 240.328 1.787 10 0 BDAERO CCOC(C[NH3+])(OCC)c1cccnc1 ZINC000034590598 170315356 /nfs/dbraw/zinc/31/53/56/170315356.db2.gz PIDGKJDUFGHEQD-UHFFFAOYSA-N 1 0 210.277 1.266 10 0 BDAERO CCOC1CCN([C@H](C)[C@@H](C)[NH3+])CC1 ZINC000041053897 170332190 /nfs/dbraw/zinc/33/21/90/170332190.db2.gz DDHAWXMFYUOUNI-NXEZZACHSA-N 1 0 200.326 1.223 10 0 BDAERO CCOCCC[NH2+]CCN1CCO[C@H](CC)C1 ZINC000053382629 170380261 /nfs/dbraw/zinc/38/02/61/170380261.db2.gz IPKRDDKIOJSVJW-CYBMUJFWSA-N 1 0 244.379 1.113 10 0 BDAERO CCOCCC[NH2+]CCN1C[C@H](C)C[C@@H](C)C1 ZINC000053344545 170380868 /nfs/dbraw/zinc/38/08/68/170380868.db2.gz NPTAIGVYGMQYPP-ZIAGYGMSSA-N 1 0 242.407 1.981 10 0 BDAERO CCOCCC[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000034938523 170381437 /nfs/dbraw/zinc/38/14/37/170381437.db2.gz KJRNVIKFWCBROK-LBPRGKRZSA-N 1 0 244.379 1.553 10 0 BDAERO CCOCCC[NH2+][C@H]1COc2cc(O)ccc21 ZINC000019963053 170383450 /nfs/dbraw/zinc/38/34/50/170383450.db2.gz RXYKDTFVZXCWJQ-LBPRGKRZSA-N 1 0 237.299 1.842 10 0 BDAERO CCOCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000037892902 170411356 /nfs/dbraw/zinc/41/13/56/170411356.db2.gz GONLYDVKWQKGQJ-GFCCVEGCSA-N 1 0 245.269 1.624 10 0 BDAERO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000657694236 411579180 /nfs/dbraw/zinc/57/91/80/411579180.db2.gz BFMRNBHSEONNPC-UPJWGTAASA-N 1 0 238.375 1.881 10 0 BDAERO CC(C)CCC[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657695440 411581123 /nfs/dbraw/zinc/58/11/23/411581123.db2.gz LWINLMUMIHDZPS-NSHDSACASA-N 1 0 212.337 1.491 10 0 BDAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1C ZINC000657694763 411581483 /nfs/dbraw/zinc/58/14/83/411581483.db2.gz QMODLCUJNFVTQN-AWEZNQCLSA-N 1 0 246.354 1.871 10 0 BDAERO CC(C)C[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696983 411581693 /nfs/dbraw/zinc/58/16/93/411581693.db2.gz MJAZKFJIYAVFFP-GHMZBOCLSA-N 1 0 212.337 1.489 10 0 BDAERO Cc1ncsc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696977 411582127 /nfs/dbraw/zinc/58/21/27/411582127.db2.gz MELUIBCWNLRMDC-VIFPVBQESA-N 1 0 239.344 1.019 10 0 BDAERO COC[C@H](C)[NH2+]C[C@H](OC)C1CCC1 ZINC000660483214 411592126 /nfs/dbraw/zinc/59/21/26/411592126.db2.gz CGKMAFKTOVPABO-ONGXEEELSA-N 1 0 201.310 1.426 10 0 BDAERO COC1(C[NH2+]C2CC(CO)C2)CCCC1 ZINC000657810373 411603054 /nfs/dbraw/zinc/60/30/54/411603054.db2.gz CMCCLBGJZJWMPN-UHFFFAOYSA-N 1 0 213.321 1.306 10 0 BDAERO CCc1nc(C[NH2+]C2CC(CO)C2)cs1 ZINC000657813371 411603354 /nfs/dbraw/zinc/60/33/54/411603354.db2.gz VAWAZEUIVASQFN-UHFFFAOYSA-N 1 0 226.345 1.566 10 0 BDAERO OCC1CC([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000657813506 411603499 /nfs/dbraw/zinc/60/34/99/411603499.db2.gz ZTPLKPURCTWBDN-UHFFFAOYSA-N 1 0 245.244 1.964 10 0 BDAERO OCC1CC([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000657813376 411603505 /nfs/dbraw/zinc/60/35/05/411603505.db2.gz VCPTZIASMXHFFS-CPCZMJQVSA-N 1 0 247.338 1.913 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000660692781 411617653 /nfs/dbraw/zinc/61/76/53/411617653.db2.gz SDQVLUNYECTOAC-KXUCPTDWSA-N 1 0 235.274 1.256 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000660756835 411621292 /nfs/dbraw/zinc/62/12/92/411621292.db2.gz DVCPKZATBIHUML-BBBLOLIVSA-N 1 0 235.274 1.113 10 0 BDAERO CCNc1ccnc(C2CC[NH+](C)CC2)n1 ZINC000575601241 411650004 /nfs/dbraw/zinc/65/00/04/411650004.db2.gz RNURNHWKMPTIOL-UHFFFAOYSA-N 1 0 220.320 1.718 10 0 BDAERO CCOc1ccccc1Cn1cc[nH+]c1N ZINC000037483175 170593457 /nfs/dbraw/zinc/59/34/57/170593457.db2.gz PHVUWJAUCLGIIC-UHFFFAOYSA-N 1 0 217.272 1.912 10 0 BDAERO Cc1cn(C)nc1NC(=[NH2+])NCc1ccccc1 ZINC000575523457 411725123 /nfs/dbraw/zinc/72/51/23/411725123.db2.gz UCNJHJHPMIZQCP-UHFFFAOYSA-N 1 0 243.314 1.865 10 0 BDAERO CC(C)(C)[NH+]1CCC(c2c[nH]nc2N)CC1 ZINC000616620385 411863914 /nfs/dbraw/zinc/86/39/14/411863914.db2.gz YTOCLTKBMQSUIE-UHFFFAOYSA-N 1 0 222.336 1.970 10 0 BDAERO CCOC(=O)Cc1c(N)nccc1C(F)(F)F ZINC000575341580 411864306 /nfs/dbraw/zinc/86/43/06/411864306.db2.gz XNPUSSLJEMIAFD-UHFFFAOYSA-N 1 0 248.204 1.788 10 0 BDAERO C[C@@H]1C[NH+](C[C@@H]2CCC[C@@H](O)C2)C[C@@H](C)C1O ZINC000661620155 411820543 /nfs/dbraw/zinc/82/05/43/411820543.db2.gz HRIFUQWVVOWWNN-FDYHWXHSSA-N 1 0 241.375 1.486 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)c1cc2ccccc2[nH]1 ZINC000133581564 411837880 /nfs/dbraw/zinc/83/78/80/411837880.db2.gz NTTBVEZHBZCVCQ-JTQLQIEISA-N 1 0 243.310 1.507 10 0 BDAERO OC1(C[N@@H+]2CCC[C@@H](CCF)C2)CCC1 ZINC000661690217 411839811 /nfs/dbraw/zinc/83/98/11/411839811.db2.gz ONQJWZCOMVVKBU-NSHDSACASA-N 1 0 215.312 1.973 10 0 BDAERO CC[C@@H](C)NC(=O)[C@@H](CC[NH3+])c1cccnc1 ZINC000076618046 170745118 /nfs/dbraw/zinc/74/51/18/170745118.db2.gz ZSRRIVDGRCSWAX-PWSUYJOCSA-N 1 0 235.331 1.429 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2ccc(N)nc2)CC1 ZINC000616592797 411858467 /nfs/dbraw/zinc/85/84/67/411858467.db2.gz GHHYEXODBURBIU-NSHDSACASA-N 1 0 221.304 1.447 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@H](n2ccc(N)n2)C1 ZINC000616618486 411861645 /nfs/dbraw/zinc/86/16/45/411861645.db2.gz WVNGKAQQZXUVFK-JTQLQIEISA-N 1 0 222.336 1.901 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1ccnc(N)c1 ZINC000616598587 411894288 /nfs/dbraw/zinc/89/42/88/411894288.db2.gz FJLZUBDGPZADTL-SNVBAGLBSA-N 1 0 207.277 1.057 10 0 BDAERO Cc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)c(O)c1 ZINC000133682033 411896036 /nfs/dbraw/zinc/89/60/36/411896036.db2.gz GGKFSWYFVWOYFG-JTQLQIEISA-N 1 0 234.299 1.040 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cnccn1 ZINC000383421639 487620864 /nfs/dbraw/zinc/62/08/64/487620864.db2.gz PBIPWDZQFWJLDB-QWRGUYRKSA-N 1 0 218.304 1.150 10 0 BDAERO CC[C@@H](C[NH3+])[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052947319 170821931 /nfs/dbraw/zinc/82/19/31/170821931.db2.gz OWQYXTWHVYKSCX-ONGXEEELSA-N 1 0 239.340 1.542 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1ccnc(N)c1 ZINC000616637212 411872180 /nfs/dbraw/zinc/87/21/80/411872180.db2.gz JMYGEJRISWSHLV-NSHDSACASA-N 1 0 220.320 1.019 10 0 BDAERO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019900425 170854504 /nfs/dbraw/zinc/85/45/04/170854504.db2.gz BJTHEDGWGSHVQL-GRYCIOLGSA-N 1 0 247.404 1.978 10 0 BDAERO Nc1[nH+]ccn1-c1ccncc1Br ZINC000575470164 411971081 /nfs/dbraw/zinc/97/10/81/411971081.db2.gz PHRHDBRAQUOXHC-UHFFFAOYSA-N 1 0 239.076 1.612 10 0 BDAERO Nc1ccc([C@H]2CCCCCN2CC[NH3+])cn1 ZINC000616623389 411976859 /nfs/dbraw/zinc/97/68/59/411976859.db2.gz FDHQLMHOSCOANK-GFCCVEGCSA-N 1 0 234.347 1.540 10 0 BDAERO CC[C@@H]([NH2+]CCN(C)CCOC)C(C)(C)C ZINC000310006687 170895688 /nfs/dbraw/zinc/89/56/88/170895688.db2.gz GYPKHXSYSHIYQE-GFCCVEGCSA-N 1 0 230.396 1.979 10 0 BDAERO Cc1cccc(NC[C@@H]2CC(=O)N(C)C2)[nH+]1 ZINC000664456258 411963230 /nfs/dbraw/zinc/96/32/30/411963230.db2.gz BUSUUZZJZVSRKE-JTQLQIEISA-N 1 0 219.288 1.280 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)N1CCOCC1 ZINC000309458592 171059478 /nfs/dbraw/zinc/05/94/78/171059478.db2.gz NFLFETIEVCZMHS-YNEHKIRRSA-N 1 0 226.364 1.485 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000336748075 171060596 /nfs/dbraw/zinc/06/05/96/171060596.db2.gz XTFWSBIVNZZLQP-GMTAPVOTSA-N 1 0 220.320 1.371 10 0 BDAERO CC[C@@H]1C[N@H+](C[C@@H]2CCCO2)[C@H](C(C)C)CN1 ZINC000083368700 171085984 /nfs/dbraw/zinc/08/59/84/171085984.db2.gz SVOWBPAMVKECAK-RDBSUJKOSA-N 1 0 240.391 1.874 10 0 BDAERO CC[C@@H]1CN(Cc2ccc(OC)cc2)CC[NH2+]1 ZINC000068692421 171088292 /nfs/dbraw/zinc/08/82/92/171088292.db2.gz IHLSLQRFCXEZOJ-CYBMUJFWSA-N 1 0 234.343 1.879 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)CCCO1 ZINC000300869973 171095813 /nfs/dbraw/zinc/09/58/13/171095813.db2.gz JVFHTAMCKNWNGM-UPJWGTAASA-N 1 0 227.348 1.791 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1cnns1 ZINC000083347100 171103034 /nfs/dbraw/zinc/10/30/34/171103034.db2.gz CXNYIZFOGONDRA-HTQZYQBOSA-N 1 0 212.322 1.115 10 0 BDAERO CC[C@@H]1COCCN1C[C@H]([NH3+])C(C)(C)C ZINC000036326192 171106456 /nfs/dbraw/zinc/10/64/56/171106456.db2.gz VWVKYTVPTSAAQV-MNOVXSKESA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCO[C@@H]2C)CCO1 ZINC000309432041 171130471 /nfs/dbraw/zinc/13/04/71/171130471.db2.gz ABZCBMFPFOEOAU-LPWJVIDDSA-N 1 0 227.348 1.959 10 0 BDAERO CC[C@@](C)([NH3+])c1nc2c(s1)COCC2 ZINC000041059563 171171971 /nfs/dbraw/zinc/17/19/71/171171971.db2.gz JWAUZWYANGLOGT-SNVBAGLBSA-N 1 0 212.318 1.800 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000363937646 171179031 /nfs/dbraw/zinc/17/90/31/171179031.db2.gz HYNSXBAJAXZREI-VXGBXAGGSA-N 1 0 215.337 1.648 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000336235961 171180320 /nfs/dbraw/zinc/18/03/20/171180320.db2.gz BEILJAFDTXAWJI-DGCLKSJQSA-N 1 0 229.364 1.630 10 0 BDAERO CC[C@@]([NH2+]C)(C(N)=O)c1cccc(Cl)c1 ZINC000037459038 171192500 /nfs/dbraw/zinc/19/25/00/171192500.db2.gz ILHOUBLOJSSWSM-NSHDSACASA-N 1 0 226.707 1.650 10 0 BDAERO CC[C@@](O)(C[NH3+])c1ccc2c(c1)OCCO2 ZINC000032014441 171195036 /nfs/dbraw/zinc/19/50/36/171195036.db2.gz ATAYMEGTPZKTPE-GFCCVEGCSA-N 1 0 223.272 1.014 10 0 BDAERO CC[C@@]1(c2ccc(C)cc2)C[C@@]1(C[NH3+])CO ZINC000070500894 171217078 /nfs/dbraw/zinc/21/70/78/171217078.db2.gz NGIWRQIVXMXTJG-KGLIPLIRSA-N 1 0 219.328 1.984 10 0 BDAERO CC[C@H](C(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000050145236 171241314 /nfs/dbraw/zinc/24/13/14/171241314.db2.gz AFMDWDDLYMXMID-CYBMUJFWSA-N 1 0 232.327 1.553 10 0 BDAERO CC[C@H](C(N)=O)[NH+](CC(C)C)CC(C)C ZINC000061679134 171243332 /nfs/dbraw/zinc/24/33/32/171243332.db2.gz CMNIIIGPCLPJPD-LLVKDONJSA-N 1 0 214.353 1.864 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000042591138 171315021 /nfs/dbraw/zinc/31/50/21/171315021.db2.gz KRAVAAJKZCVDAN-RYUDHWBXSA-N 1 0 242.363 1.260 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCCO[C@@H](C)C1 ZINC000061920433 171339005 /nfs/dbraw/zinc/33/90/05/171339005.db2.gz KGXHZWSOOCVZEL-QWRGUYRKSA-N 1 0 228.336 1.012 10 0 BDAERO CC[C@H](C)[NH2+]CCn1c(=O)cnc2ccccc21 ZINC000053523494 171341010 /nfs/dbraw/zinc/34/10/10/171341010.db2.gz BMOKGLULTVNLFG-NSHDSACASA-N 1 0 245.326 1.785 10 0 BDAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(F)cc1 ZINC000038065491 171347268 /nfs/dbraw/zinc/34/72/68/171347268.db2.gz XDVPUMTYBYXAQY-TVQRCGJNSA-N 1 0 238.306 1.914 10 0 BDAERO CC[C@H](C)Nc1nnc(SCC[NH3+])s1 ZINC000057521178 171351705 /nfs/dbraw/zinc/35/17/05/171351705.db2.gz LTCYGPDAGSJLDJ-LURJTMIESA-N 1 0 232.378 1.799 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC(C)(C)CO ZINC000237064183 171371116 /nfs/dbraw/zinc/37/11/16/171371116.db2.gz GLGGLFWBAFBCBJ-WDEREUQCSA-N 1 0 244.379 1.275 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC=CCC1 ZINC000045647202 171371215 /nfs/dbraw/zinc/37/12/15/171371215.db2.gz ROJLNDQODFUPAN-SDDRHHMPSA-N 1 0 224.348 1.832 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=S)N1CCSC1 ZINC000214697266 171371978 /nfs/dbraw/zinc/37/19/78/171371978.db2.gz IXFPGXSAFSQMGY-JGVFFNPUSA-N 1 0 218.391 1.694 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309193716 171390209 /nfs/dbraw/zinc/39/02/09/171390209.db2.gz QCFFQQGYXOBFSE-UKKRHICBSA-N 1 0 212.337 1.678 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCCCC(C)(C)CO ZINC000237025822 171394342 /nfs/dbraw/zinc/39/43/42/171394342.db2.gz GLGGLFWBAFBCBJ-QWRGUYRKSA-N 1 0 244.379 1.275 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000662351014 412120224 /nfs/dbraw/zinc/12/02/24/412120224.db2.gz KLPDVGNUPXNPSZ-RYUDHWBXSA-N 1 0 248.326 1.624 10 0 BDAERO CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819580 171477068 /nfs/dbraw/zinc/47/70/68/171477068.db2.gz NCZWRURHVJCSSM-GXSJLCMTSA-N 1 0 221.304 1.416 10 0 BDAERO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000665243907 412186849 /nfs/dbraw/zinc/18/68/49/412186849.db2.gz AUUBCYMYSPNWSV-DCAQKATOSA-N 1 0 248.317 1.388 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(OC)c(O)c1 ZINC000036779155 171487963 /nfs/dbraw/zinc/48/79/63/171487963.db2.gz HFRAQEUMGOCMEK-KWQFWETISA-N 1 0 211.261 1.172 10 0 BDAERO CC[C@@H](Oc1ccccc1[C@@H]([NH3+])CC)C(N)=O ZINC000061675646 171491749 /nfs/dbraw/zinc/49/17/49/171491749.db2.gz UCEQYAUBHPMACV-WDEREUQCSA-N 1 0 236.315 1.739 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000662396469 412146086 /nfs/dbraw/zinc/14/60/86/412146086.db2.gz CYKWUDMXMSUHRT-SRVKXCTJSA-N 1 0 240.347 1.154 10 0 BDAERO CC1([NH3+])CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662556076 412216127 /nfs/dbraw/zinc/21/61/27/412216127.db2.gz LBFLIYAKMNDHMR-JGPRNRPPSA-N 1 0 222.332 1.372 10 0 BDAERO FC(F)(F)c1ccncc1CN[C@H]1CC[NH2+]C1 ZINC000665299269 412247965 /nfs/dbraw/zinc/24/79/65/412247965.db2.gz JRSWCTTUBUVJLY-VIFPVBQESA-N 1 0 245.248 1.552 10 0 BDAERO COCC1(N(C)C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000662849716 412322170 /nfs/dbraw/zinc/32/21/70/412322170.db2.gz JVAPUHWLIGYYSU-LLVKDONJSA-N 1 0 240.347 1.156 10 0 BDAERO C[C@]1(C(=O)N2CCC[C@@H](CCF)C2)CCC[NH2+]1 ZINC000662881045 412334589 /nfs/dbraw/zinc/33/45/89/412334589.db2.gz SQEZFTVBOXAZSX-WCQYABFASA-N 1 0 242.338 1.727 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1CC2(CCC2)C1 ZINC000662907784 412342543 /nfs/dbraw/zinc/34/25/43/412342543.db2.gz XOIYOIGONJBTTG-CMPLNLGQSA-N 1 0 236.359 1.823 10 0 BDAERO CC(NC(=O)[C@@H]1CC[NH2+]C1)(C1CC1)C1CC1 ZINC000662915809 412344428 /nfs/dbraw/zinc/34/44/28/412344428.db2.gz PDVGINNVOMTNSX-SECBINFHSA-N 1 0 222.332 1.291 10 0 BDAERO CCCOc1nccnc1NC[C@@H]([NH3+])C1CC1 ZINC000630513042 412358223 /nfs/dbraw/zinc/35/82/23/412358223.db2.gz VAPCCRHDXKYXTI-SNVBAGLBSA-N 1 0 236.319 1.415 10 0 BDAERO CCCOc1nccnc1N[C@H](C)CC[NH3+] ZINC000630513302 412359449 /nfs/dbraw/zinc/35/94/49/412359449.db2.gz WWAMVOFVKMAJAV-SECBINFHSA-N 1 0 224.308 1.415 10 0 BDAERO CCCOc1nccnc1N[C@@H]1CC[NH2+][C@H]1C ZINC000630543138 412359499 /nfs/dbraw/zinc/35/94/99/412359499.db2.gz GLRJRAZSYRFULS-VHSXEESVSA-N 1 0 236.319 1.428 10 0 BDAERO CCCOc1nccnc1NC[C@@H]1CCC[NH2+]1 ZINC000630509084 412360152 /nfs/dbraw/zinc/36/01/52/412360152.db2.gz URMLJVLINQEMBZ-JTQLQIEISA-N 1 0 236.319 1.429 10 0 BDAERO CN(C(=O)C1CCCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978222 412361310 /nfs/dbraw/zinc/36/13/10/412361310.db2.gz ZNATXRMHHBOVRT-QMMMGPOBSA-N 1 0 238.253 1.525 10 0 BDAERO CCc1cc(CC)nc(N[C@@H](C)CC[NH3+])n1 ZINC000309179964 171757962 /nfs/dbraw/zinc/75/79/62/171757962.db2.gz FCVNTWXAOGEQPA-VIFPVBQESA-N 1 0 222.336 1.751 10 0 BDAERO CCc1cc(N[C@@H]2CC[N@H+](C)C2)ncn1 ZINC000042547962 171768927 /nfs/dbraw/zinc/76/89/27/171768927.db2.gz PAXJLTCLWIBGOQ-SNVBAGLBSA-N 1 0 206.293 1.155 10 0 BDAERO CCc1ccc(C(=O)NC2CC([NH3+])C2)cc1 ZINC000036237339 171784890 /nfs/dbraw/zinc/78/48/90/171784890.db2.gz PKFIYPWIDXQHGR-UHFFFAOYSA-N 1 0 218.300 1.469 10 0 BDAERO CCCc1nccnc1N1CC[C@@H](C[NH3+])C1 ZINC000663269811 412403492 /nfs/dbraw/zinc/40/34/92/412403492.db2.gz CDSAFRRZLNBVKA-JTQLQIEISA-N 1 0 220.320 1.214 10 0 BDAERO CCCc1nccnc1NCC[NH2+]CC ZINC000663271204 412403624 /nfs/dbraw/zinc/40/36/24/412403624.db2.gz ZDYFFNIVQPDYPZ-UHFFFAOYSA-N 1 0 208.309 1.451 10 0 BDAERO CCCc1nccnc1N[C@@H]1CCC[NH2+][C@H]1C ZINC000663271644 412404412 /nfs/dbraw/zinc/40/44/12/412404412.db2.gz DIIWWUSNJDVRLY-WDEREUQCSA-N 1 0 234.347 1.982 10 0 BDAERO Cc1cc2c(NCC34CC(C3)C[NH2+]4)nccn2n1 ZINC000663275980 412405013 /nfs/dbraw/zinc/40/50/13/412405013.db2.gz TTYODVJGNDTMBW-UHFFFAOYSA-N 1 0 243.314 1.202 10 0 BDAERO CCCc1nccnc1N[C@H](C)CCC[NH3+] ZINC000663275300 412405392 /nfs/dbraw/zinc/40/53/92/412405392.db2.gz VPZIUVJMHQRAPJ-SNVBAGLBSA-N 1 0 222.336 1.968 10 0 BDAERO Cc1nccnc1NCC[C@@H]([NH3+])C(C)C ZINC000663276197 412405508 /nfs/dbraw/zinc/40/55/08/412405508.db2.gz YBYATRUKTDXWFZ-SNVBAGLBSA-N 1 0 208.309 1.570 10 0 BDAERO CCCc1nsc(N[C@@H](C)C[NH2+]C)n1 ZINC000663276991 412406853 /nfs/dbraw/zinc/40/68/53/412406853.db2.gz HLLADTJWGOZICN-ZETCQYMHSA-N 1 0 214.338 1.510 10 0 BDAERO CCc1ccc([C@@H](C[NH3+])CC(=O)NC2CC2)cc1 ZINC000057535808 171833484 /nfs/dbraw/zinc/83/34/84/171833484.db2.gz QPEFXSCIPGTSSY-CYBMUJFWSA-N 1 0 246.354 1.960 10 0 BDAERO CCc1ccc([C@H]([NH3+])[C@H]2COCCO2)cc1 ZINC000055298739 171843056 /nfs/dbraw/zinc/84/30/56/171843056.db2.gz WWZGJOPRTZDCDF-OLZOCXBDSA-N 1 0 221.300 1.664 10 0 BDAERO CCc1nc([C@@]2(N)CCOc3ccccc32)no1 ZINC000036762810 172004242 /nfs/dbraw/zinc/00/42/42/172004242.db2.gz PYKJRMDJFCXCSL-CYBMUJFWSA-N 1 0 245.282 1.617 10 0 BDAERO CCc1nnc([C@H](C[NH3+])c2ccccc2)[nH]1 ZINC000061609569 172007598 /nfs/dbraw/zinc/00/75/98/172007598.db2.gz HQVNDDXGPWTKEI-SNVBAGLBSA-N 1 0 216.288 1.458 10 0 BDAERO CCc1nccn1CC[NH2+]CCN(CC)CC ZINC000053541472 172025954 /nfs/dbraw/zinc/02/59/54/172025954.db2.gz INIRFUOVHGMHQS-UHFFFAOYSA-N 1 0 238.379 1.377 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@H]1CSC[C@H]1C ZINC000309944996 172141048 /nfs/dbraw/zinc/14/10/48/172141048.db2.gz CZGGSWGTLQFEEA-SCZZXKLOSA-N 1 0 240.376 1.448 10 0 BDAERO CCn1cc(-c2csc(C[C@H](C)[NH3+])n2)cn1 ZINC000054161086 172149492 /nfs/dbraw/zinc/14/94/92/172149492.db2.gz ZAHZNNZTULLMKS-QMMMGPOBSA-N 1 0 236.344 1.916 10 0 BDAERO CCn1cc(CN2CCC[C@@H]2C[NH3+])c(C)n1 ZINC000020315830 172164013 /nfs/dbraw/zinc/16/40/13/172164013.db2.gz LNCVDERXRFTSGU-GFCCVEGCSA-N 1 0 222.336 1.135 10 0 BDAERO CCn1cc(C[NH2+]C[C@H]2CCC[C@H]2O)cn1 ZINC000084237077 172172906 /nfs/dbraw/zinc/17/29/06/172172906.db2.gz MDJZBWQVRDQHKZ-VXGBXAGGSA-N 1 0 223.320 1.154 10 0 BDAERO CCn1cc(C[C@@H]([NH3+])c2ccncc2)cn1 ZINC000050542440 172177219 /nfs/dbraw/zinc/17/72/19/172177219.db2.gz JKUKBVVMSIUNQH-GFCCVEGCSA-N 1 0 216.288 1.541 10 0 BDAERO CCn1cc(C[C@@H]([NH3+])c2cccnc2)cn1 ZINC000050542436 172177489 /nfs/dbraw/zinc/17/74/89/172177489.db2.gz AATVIZOMDDVJML-GFCCVEGCSA-N 1 0 216.288 1.541 10 0 BDAERO CCn1cc(NC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000054240697 172185903 /nfs/dbraw/zinc/18/59/03/172185903.db2.gz BOUAOLWANJEICJ-LBPRGKRZSA-N 1 0 222.336 1.799 10 0 BDAERO CCn1cc([C@@H]([NH3+])Cc2ccncc2)cn1 ZINC000053135011 172195350 /nfs/dbraw/zinc/19/53/50/172195350.db2.gz CWXGBBOBLBTKHW-LBPRGKRZSA-N 1 0 216.288 1.541 10 0 BDAERO CCn1ccnc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000051923448 172224928 /nfs/dbraw/zinc/22/49/28/172224928.db2.gz ZZMVKNALVXGWLF-GHMZBOCLSA-N 1 0 223.320 1.296 10 0 BDAERO CCn1ccnc1N1CCC(C[NH3+])CC1 ZINC000050614394 172226286 /nfs/dbraw/zinc/22/62/86/172226286.db2.gz USRBKFXOLNLCSI-UHFFFAOYSA-N 1 0 208.309 1.078 10 0 BDAERO CCn1cc[nH+]c1N[C@H](C)CN1CCOCC1 ZINC000050614220 172228180 /nfs/dbraw/zinc/22/81/80/172228180.db2.gz CJMZCPYSSOKOCW-LLVKDONJSA-N 1 0 238.335 1.036 10 0 BDAERO CCn1ccnc1[C@@H]([NH3+])C1CCOCC1 ZINC000083719390 172229610 /nfs/dbraw/zinc/22/96/10/172229610.db2.gz SCXKMOCMBYWNMM-JTQLQIEISA-N 1 0 209.293 1.329 10 0 BDAERO CN(C(=O)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000037470157 172299257 /nfs/dbraw/zinc/29/92/57/172299257.db2.gz NMFQTQVAXMWFTC-LBPRGKRZSA-N 1 0 224.348 1.777 10 0 BDAERO CN(C(=O)C[NH3+])c1ccc(Cl)s1 ZINC000077298272 172307557 /nfs/dbraw/zinc/30/75/57/172307557.db2.gz ZFCLDJVBBHQSLB-UHFFFAOYSA-N 1 0 204.682 1.323 10 0 BDAERO CN(C(=O)C[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000037092984 172314124 /nfs/dbraw/zinc/31/41/24/172314124.db2.gz SMSBRFFZDFIAKH-LLVKDONJSA-N 1 0 224.348 1.920 10 0 BDAERO CN(C(=O)Nc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000037469968 172323684 /nfs/dbraw/zinc/32/36/84/172323684.db2.gz BLKXXWPUQWWYSP-NSHDSACASA-N 1 0 219.288 1.512 10 0 BDAERO CN(C(=O)[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000062116726 172329301 /nfs/dbraw/zinc/32/93/01/172329301.db2.gz BKTJQCCBHMAURW-SECBINFHSA-N 1 0 222.263 1.398 10 0 BDAERO CN(C(=O)c1ccccc1)C(C)(C)C[NH3+] ZINC000082640169 172341831 /nfs/dbraw/zinc/34/18/31/172341831.db2.gz KSOOCAAKKXTPID-UHFFFAOYSA-N 1 0 206.289 1.496 10 0 BDAERO CN(C(=O)c1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000037470150 172343254 /nfs/dbraw/zinc/34/32/54/172343254.db2.gz KYNGTYCFIWOBLQ-SECBINFHSA-N 1 0 208.261 1.104 10 0 BDAERO CN(C(=O)c1ccco1)[C@H]1CCC[NH2+]C1 ZINC000037470151 172343946 /nfs/dbraw/zinc/34/39/46/172343946.db2.gz KYNGTYCFIWOBLQ-VIFPVBQESA-N 1 0 208.261 1.104 10 0 BDAERO CN(C(=O)c1ccsc1)[C@@H]1CCC[NH2+]C1 ZINC000082499401 172345305 /nfs/dbraw/zinc/34/53/05/172345305.db2.gz OLTONWCRXJHZAR-SNVBAGLBSA-N 1 0 224.329 1.572 10 0 BDAERO CN(C)C(=O)CC[NH2+][C@H]1CCc2c1cccc2O ZINC000037751899 172360280 /nfs/dbraw/zinc/36/02/80/172360280.db2.gz TUAFNGIIUSCZEU-LBPRGKRZSA-N 1 0 248.326 1.447 10 0 BDAERO CN(C)C(=O)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336779382 172360763 /nfs/dbraw/zinc/36/07/63/172360763.db2.gz OCHQEWHJVOQNTC-MNOVXSKESA-N 1 0 230.327 1.583 10 0 BDAERO CN(C)C(=O)[C@@H](C[NH3+])Cc1ccc(F)c(F)c1 ZINC000050304621 172384009 /nfs/dbraw/zinc/38/40/09/172384009.db2.gz KXNZKTKNSGHHTL-SECBINFHSA-N 1 0 242.269 1.170 10 0 BDAERO C[NH+](C)CCn1ccnc1-c1csc(N)n1 ZINC000098181582 172479900 /nfs/dbraw/zinc/47/99/00/172479900.db2.gz FLTXVNVNTUQZIN-UHFFFAOYSA-N 1 0 237.332 1.150 10 0 BDAERO CN(C)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000022175843 172518424 /nfs/dbraw/zinc/51/84/24/172518424.db2.gz WDSNLFRDSSLSEO-JTQLQIEISA-N 1 0 200.232 1.526 10 0 BDAERO CN(CC(=O)c1ccco1)C[C@@H]1CCCC[NH2+]1 ZINC000095070854 172619643 /nfs/dbraw/zinc/61/96/43/172619643.db2.gz YRVFJTNZHBLOJB-NSHDSACASA-N 1 0 236.315 1.536 10 0 BDAERO CN(CCC[NH3+])c1ncnc2sccc21 ZINC000037673608 172705749 /nfs/dbraw/zinc/70/57/49/172705749.db2.gz BXSXVWWOJWKIIX-UHFFFAOYSA-N 1 0 222.317 1.476 10 0 BDAERO CN(CCCN1C[C@@H]([NH3+])CC1=O)c1ccccc1 ZINC000035679767 172706722 /nfs/dbraw/zinc/70/67/22/172706722.db2.gz RCTAISODGKGJDA-LBPRGKRZSA-N 1 0 247.342 1.073 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1ncc(F)cn1 ZINC000095070796 172808430 /nfs/dbraw/zinc/80/84/30/172808430.db2.gz IEBWGJYSNODTDW-JTQLQIEISA-N 1 0 224.283 1.194 10 0 BDAERO CN(CC1CC[NH+](C)CC1)c1ccccc1CO ZINC000063121093 172986097 /nfs/dbraw/zinc/98/60/97/172986097.db2.gz WFFUKQZWXFULCO-UHFFFAOYSA-N 1 0 248.370 1.957 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CNc1ncccc1N ZINC000044563693 173004800 /nfs/dbraw/zinc/00/48/00/173004800.db2.gz VAJPDIIXXSHKQN-SNVBAGLBSA-N 1 0 220.320 1.560 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CNc1cccnc1 ZINC000054239498 173005957 /nfs/dbraw/zinc/00/59/57/173005957.db2.gz XKSSKPXDZUCUGF-GFCCVEGCSA-N 1 0 205.305 1.978 10 0 BDAERO C[N@@H+]1CCC[C@H](c2[nH]nc3c2CCCCN3)C1 ZINC000003698318 173049200 /nfs/dbraw/zinc/04/92/00/173049200.db2.gz KKSHIJROSMQDAQ-JTQLQIEISA-N 1 0 234.347 1.967 10 0 BDAERO Cn1ccnc1[C@H]1C[N@@H+](C2CCC2)CCN1C ZINC000336312109 173075970 /nfs/dbraw/zinc/07/59/70/173075970.db2.gz GUJXLYKOQNFZAE-GFCCVEGCSA-N 1 0 234.347 1.261 10 0 BDAERO CN1CCO[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069796447 173100032 /nfs/dbraw/zinc/10/00/32/173100032.db2.gz HFCLSNXNNDZCMZ-RYUDHWBXSA-N 1 0 206.289 1.017 10 0 BDAERO CN1CCO[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000082432920 173108069 /nfs/dbraw/zinc/10/80/69/173108069.db2.gz PNVJWTXLGSETJR-SNVBAGLBSA-N 1 0 244.722 1.353 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(N)cc1 ZINC000071187589 173111928 /nfs/dbraw/zinc/11/19/28/173111928.db2.gz DBNSLZRFOUBFCO-LLVKDONJSA-N 1 0 247.342 1.293 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2cccc(F)c2N)C1 ZINC000037484596 173117120 /nfs/dbraw/zinc/11/71/20/173117120.db2.gz MJXGHFTUUZGOKH-VIFPVBQESA-N 1 0 223.295 1.772 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2ccc(F)cn2)C1 ZINC000041045410 173117242 /nfs/dbraw/zinc/11/72/42/173117242.db2.gz HDPOFOBCWJVPEC-VIFPVBQESA-N 1 0 209.268 1.584 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)c1cccc(F)c1N ZINC000071188532 173142503 /nfs/dbraw/zinc/14/25/03/173142503.db2.gz LAYMZRCEADFQSU-JTQLQIEISA-N 1 0 237.322 1.796 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccccc1O ZINC000071190593 173143848 /nfs/dbraw/zinc/14/38/48/173143848.db2.gz SWKCXTINGSYCAI-NSHDSACASA-N 1 0 248.326 1.416 10 0 BDAERO CN1CCc2sc(CCC[NH3+])nc2C1 ZINC000075845712 173176202 /nfs/dbraw/zinc/17/62/02/173176202.db2.gz APNFWLNKJHWUDB-UHFFFAOYSA-N 1 0 211.334 1.022 10 0 BDAERO CNC(=[NH2+])N(C)Cc1ccc(Cl)cc1 ZINC000052018766 173209152 /nfs/dbraw/zinc/20/91/52/173209152.db2.gz GGNZVJSNEGCGKY-UHFFFAOYSA-N 1 0 211.696 1.926 10 0 BDAERO CNC(=[NH2+])N(C)Cc1ccccc1Cl ZINC000052018762 173209341 /nfs/dbraw/zinc/20/93/41/173209341.db2.gz GWHFXLCCVHYEQA-UHFFFAOYSA-N 1 0 211.696 1.926 10 0 BDAERO CNC(=O)C1CC[NH+](Cc2ccccc2N)CC1 ZINC000036127540 173224902 /nfs/dbraw/zinc/22/49/02/173224902.db2.gz KYSPNGICEVJDFI-UHFFFAOYSA-N 1 0 247.342 1.227 10 0 BDAERO CNC(=O)CCOc1c(C)cc(C[NH3+])cc1C ZINC000051756846 173262053 /nfs/dbraw/zinc/26/20/53/173262053.db2.gz AJHSRCBORWAENT-UHFFFAOYSA-N 1 0 236.315 1.277 10 0 BDAERO CNC(=O)CC[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000076619161 173263417 /nfs/dbraw/zinc/26/34/17/173263417.db2.gz GOWASOIBOCJMGZ-NSHDSACASA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)Oc1c(C)cccc1C[NH+](C)C ZINC000001998786 173293399 /nfs/dbraw/zinc/29/33/99/173293399.db2.gz REDWYYZBRSWLEU-UHFFFAOYSA-N 1 0 222.288 1.775 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020419245 173295965 /nfs/dbraw/zinc/29/59/65/173295965.db2.gz IOFNLEYMABOLAX-DTWKUNHWSA-N 1 0 222.288 1.220 10 0 BDAERO CNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745739 173296037 /nfs/dbraw/zinc/29/60/37/173296037.db2.gz SMATWBMOJQXOAO-HTQZYQBOSA-N 1 0 240.278 1.359 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000042561533 173302470 /nfs/dbraw/zinc/30/24/70/173302470.db2.gz QBJFEUGDFBYEOY-XGNXJENSSA-N 1 0 246.354 1.965 10 0 BDAERO CNC(=O)c1ccc(C[NH3+])cc1OC1CC1 ZINC000095737738 173310316 /nfs/dbraw/zinc/31/03/16/173310316.db2.gz ZIVRZXLJFPUIOJ-UHFFFAOYSA-N 1 0 220.272 1.046 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000061319189 173317860 /nfs/dbraw/zinc/31/78/60/173317860.db2.gz NLLMUNCOAAHFKM-VHSXEESVSA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)c1ccc(F)cc1 ZINC000061319120 173317792 /nfs/dbraw/zinc/31/77/92/173317792.db2.gz VYUSMKIXQUVZMI-UHFFFAOYSA-N 1 0 224.279 1.787 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000061319239 173318284 /nfs/dbraw/zinc/31/82/84/173318284.db2.gz VVESMFAZTJTWOT-ZJUUUORDSA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(N(C)C)nc1 ZINC000061300826 173318319 /nfs/dbraw/zinc/31/83/19/173318319.db2.gz ZVXFGTGLNDWTHW-UHFFFAOYSA-N 1 0 236.319 1.084 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000061318728 173318390 /nfs/dbraw/zinc/31/83/90/173318390.db2.gz RGBCGCGDQVJZJH-UHFFFAOYSA-N 1 0 234.299 1.826 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(Cl)cc1 ZINC000061300309 173318468 /nfs/dbraw/zinc/31/84/68/173318468.db2.gz LCBBEUBPVJTZJP-UHFFFAOYSA-N 1 0 240.734 1.954 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000061300399 173318727 /nfs/dbraw/zinc/31/87/27/173318727.db2.gz QHDHDWGWCBVGPE-ZJUUUORDSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccnc1OC ZINC000061316179 173319100 /nfs/dbraw/zinc/31/91/00/173319100.db2.gz HAUOITAFGNSKBW-UHFFFAOYSA-N 1 0 223.276 1.027 10 0 BDAERO C[NH2+]C(C)(C)CN1CCC(OC)CC1 ZINC000061319572 173319190 /nfs/dbraw/zinc/31/91/90/173319190.db2.gz LYTBKYVUVODJQW-UHFFFAOYSA-N 1 0 200.326 1.095 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1nc(C)cs1 ZINC000061300259 173319414 /nfs/dbraw/zinc/31/94/14/173319414.db2.gz UKYCPAQOUYXSGL-UHFFFAOYSA-N 1 0 213.306 1.388 10 0 BDAERO C[NH2+]C(C)(C)CN1C[C@H](C)O[C@@H](C)C1 ZINC000061319423 173319767 /nfs/dbraw/zinc/31/97/67/173319767.db2.gz BAMQDBVYQXNWCS-UWVGGRQHSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+]C(C)(C)c1nnc2nc(C)cc(C)n21 ZINC000061151288 173320852 /nfs/dbraw/zinc/32/08/52/173320852.db2.gz HVPBNYKLIWKQKL-UHFFFAOYSA-N 1 0 219.292 1.196 10 0 BDAERO C[NH2+]CC(=O)N(Cc1ccco1)C1CCCC1 ZINC000037808590 173325336 /nfs/dbraw/zinc/32/53/36/173325336.db2.gz UPOPTBHVNQCVJY-UHFFFAOYSA-N 1 0 236.315 1.770 10 0 BDAERO C[NH2+]CC(C)(C)CN1C[C@H](C)OC(C)(C)C1 ZINC000051253789 173336468 /nfs/dbraw/zinc/33/64/68/173336468.db2.gz UGJFMSOYHJSTTE-NSHDSACASA-N 1 0 228.380 1.731 10 0 BDAERO C[NH2+]CC1(S(C)(=O)=O)CCCCCC1 ZINC000053737693 173338107 /nfs/dbraw/zinc/33/81/07/173338107.db2.gz NDVIUEBMWZFEBZ-UHFFFAOYSA-N 1 0 219.350 1.343 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc(F)cc1 ZINC000077304487 173342053 /nfs/dbraw/zinc/34/20/53/173342053.db2.gz JXRVQEMDXXAKHH-UHFFFAOYSA-N 1 0 211.236 1.478 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc2ncoc2c1 ZINC000077368401 173342066 /nfs/dbraw/zinc/34/20/66/173342066.db2.gz RLCAFGZFHBUHCN-UHFFFAOYSA-N 1 0 234.255 1.481 10 0 BDAERO C[NH2+]CCC(=O)c1ccc(OC)cc1OC ZINC000049819236 173342285 /nfs/dbraw/zinc/34/22/85/173342285.db2.gz YEGUFQDTEBOXDZ-UHFFFAOYSA-N 1 0 223.272 1.496 10 0 BDAERO C[NH2+]CCCS(=O)(=O)N(C)C1CCCCC1 ZINC000077425239 173349730 /nfs/dbraw/zinc/34/97/30/173349730.db2.gz MBCWLVQMQQGYBN-UHFFFAOYSA-N 1 0 248.392 1.190 10 0 BDAERO C[NH2+]CCCOCc1ccc2c(c1)ncn2C ZINC000077366808 173349785 /nfs/dbraw/zinc/34/97/85/173349785.db2.gz DXSQFWAUMWODBO-UHFFFAOYSA-N 1 0 233.315 1.699 10 0 BDAERO C[NH2+]CCC[C@@H](O)c1ccc(OC)cc1OC ZINC000076858222 173350441 /nfs/dbraw/zinc/35/04/41/173350441.db2.gz IBJHVOSAFYTZOB-GFCCVEGCSA-N 1 0 239.315 1.737 10 0 BDAERO C[NH2+]CCN(C)CCc1cc(C)n(C)c1C ZINC000077336254 173352714 /nfs/dbraw/zinc/35/27/14/173352714.db2.gz QJEWMBAQEWVZLU-UHFFFAOYSA-N 1 0 223.364 1.336 10 0 BDAERO C[NH2+]CCN(C)c1c(C)cc(C)cc1OC ZINC000082599712 173353682 /nfs/dbraw/zinc/35/36/82/173353682.db2.gz WFNJFKWPXPEQOD-UHFFFAOYSA-N 1 0 222.332 1.968 10 0 BDAERO C[NH2+]CCNC(=O)Oc1ccc(OC)cc1 ZINC000025966666 173354920 /nfs/dbraw/zinc/35/49/20/173354920.db2.gz KZSKLBFSPGXEGW-UHFFFAOYSA-N 1 0 224.260 1.003 10 0 BDAERO C[NH2+]CCOCCOc1ccc(OC)cc1 ZINC000041245755 173356893 /nfs/dbraw/zinc/35/68/93/173356893.db2.gz DBHKLVLNCNOJKF-UHFFFAOYSA-N 1 0 225.288 1.310 10 0 BDAERO C[NH2+]CC[C@H](C)N1CCOCC1(C)C ZINC000052546100 173358405 /nfs/dbraw/zinc/35/84/05/173358405.db2.gz LTCBLTVFMNBEQW-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1cc(C)ccc1C ZINC000077373166 173359059 /nfs/dbraw/zinc/35/90/59/173359059.db2.gz ZKGSRIKWJVPUFS-ZDUSSCGKSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000043598765 173361211 /nfs/dbraw/zinc/36/12/11/173361211.db2.gz UDXVRWHZWPXISE-UHFFFAOYSA-N 1 0 207.252 1.474 10 0 BDAERO C[NH2+]CCc1nc2cc(Cl)ccc2n1C ZINC000043598774 173361245 /nfs/dbraw/zinc/36/12/45/173361245.db2.gz CVJZLBXTOUKMSH-UHFFFAOYSA-N 1 0 223.707 1.989 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)N1CCCO[C@@H](C)C1 ZINC000061935746 173361717 /nfs/dbraw/zinc/36/17/17/173361717.db2.gz XGSNOFZVSACXFX-RYUDHWBXSA-N 1 0 214.353 1.341 10 0 BDAERO C[NH2+]CCn1cncc1-c1ccccc1 ZINC000082655861 173362188 /nfs/dbraw/zinc/36/21/88/173362188.db2.gz BHBCWKSYODVRKZ-UHFFFAOYSA-N 1 0 201.273 1.770 10 0 BDAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1cccnc1 ZINC000086065687 173363204 /nfs/dbraw/zinc/36/32/04/173363204.db2.gz MDRGPVONMWMSQE-NXEZZACHSA-N 1 0 221.304 1.114 10 0 BDAERO C[NH2+]C[C@@H](C)COc1cccc(OC)c1 ZINC000041218727 173364014 /nfs/dbraw/zinc/36/40/14/173364014.db2.gz PUPNEWMNIFPLLW-SNVBAGLBSA-N 1 0 209.289 1.930 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ccc2c(c1)OCO2 ZINC000052648862 173364835 /nfs/dbraw/zinc/36/48/35/173364835.db2.gz XDJFOAVPQBJHKO-MRVPVSSYSA-N 1 0 209.245 1.402 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ccc(Cl)cn1 ZINC000051867588 173365087 /nfs/dbraw/zinc/36/50/87/173365087.db2.gz GLHIUJSEZDPTEL-SSDOTTSWSA-N 1 0 200.669 1.722 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ncccc1Br ZINC000051867881 173365095 /nfs/dbraw/zinc/36/50/95/173365095.db2.gz YYZPOAWYPGBIOH-SSDOTTSWSA-N 1 0 245.120 1.831 10 0 BDAERO C[NH2+]C[C@@H](C)OCC(=O)Nc1ccc(C)cc1 ZINC000051842434 173365134 /nfs/dbraw/zinc/36/51/34/173365134.db2.gz GXEVLBIRZGMLMI-LLVKDONJSA-N 1 0 236.315 1.558 10 0 BDAERO C[NH2+]C[C@@H](O)COc1c(C)cc(Cl)cc1C ZINC000019864813 173365701 /nfs/dbraw/zinc/36/57/01/173365701.db2.gz LVBNSKJBMPKXDV-LLVKDONJSA-N 1 0 243.734 1.916 10 0 BDAERO C[NH2+]C[C@@H](O)COc1ccc(C)c(C)c1 ZINC000019864660 173365904 /nfs/dbraw/zinc/36/59/04/173365904.db2.gz KHWHIJCHKORAQQ-LLVKDONJSA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000037871870 173366249 /nfs/dbraw/zinc/36/62/49/173366249.db2.gz HPTXDYIJYYQALV-SECBINFHSA-N 1 0 219.206 1.958 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000032015860 173366303 /nfs/dbraw/zinc/36/63/03/173366303.db2.gz QGGFPJXPRUNQJX-SECBINFHSA-N 1 0 230.105 1.702 10 0 BDAERO C[NH2+]C[C@@H](c1ccccc1)N1CCOC[C@H]1C ZINC000052476117 173366700 /nfs/dbraw/zinc/36/67/00/173366700.db2.gz ACXRBWYRRGDCMS-OCCSQVGLSA-N 1 0 234.343 1.668 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(c2nccs2)C1 ZINC000040602154 173368074 /nfs/dbraw/zinc/36/80/74/173368074.db2.gz AGOFXDTZLMXPGF-VIFPVBQESA-N 1 0 211.334 1.579 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1nc(C)cnc1C ZINC000053703857 173369498 /nfs/dbraw/zinc/36/94/98/173369498.db2.gz WDBWTUPHPWRUGB-NSHDSACASA-N 1 0 220.320 1.282 10 0 BDAERO C[NH2+]C[C@@H]1CCN(Cc2ccc(C)o2)C1 ZINC000053038780 173370575 /nfs/dbraw/zinc/37/05/75/173370575.db2.gz YMZHHROTOHGOIP-NSHDSACASA-N 1 0 208.305 1.629 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000011892207 173370657 /nfs/dbraw/zinc/37/06/57/173370657.db2.gz MLDGDRIQFJZBEP-JTQLQIEISA-N 1 0 208.280 1.871 10 0 BDAERO C[NH2+]C[C@@H]1CC[C@H](Cn2cnc(C)c2C)O1 ZINC000052593691 173371574 /nfs/dbraw/zinc/37/15/74/173371574.db2.gz HIQAXJUQAXXJAQ-NWDGAFQWSA-N 1 0 223.320 1.267 10 0 BDAERO C[NH2+]C[C@@](C)(O)Cc1cccc(Cl)c1 ZINC000019684519 173372435 /nfs/dbraw/zinc/37/24/35/173372435.db2.gz FNFAOLXYBGUZAH-NSHDSACASA-N 1 0 213.708 1.853 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(O)cc1Cl ZINC000082915003 173377369 /nfs/dbraw/zinc/37/73/69/173377369.db2.gz ZFMIMCPCSVMLPU-VIFPVBQESA-N 1 0 201.653 1.298 10 0 BDAERO C[NH2+]C[C@H](O)Cc1ccc(OC)c(C(C)C)c1 ZINC000041278990 173376626 /nfs/dbraw/zinc/37/66/26/173376626.db2.gz GIEQBSYIGBHQSN-GFCCVEGCSA-N 1 0 237.343 1.941 10 0 BDAERO C[NH2+]C[C@H](O)COc1ccccc1C(C)(C)C ZINC000019864549 173376691 /nfs/dbraw/zinc/37/66/91/173376691.db2.gz FWMLQEHXTQTVED-NSHDSACASA-N 1 0 237.343 1.943 10 0 BDAERO C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000071536722 173376805 /nfs/dbraw/zinc/37/68/05/173376805.db2.gz WQEBNQIKHUFHPP-SNVBAGLBSA-N 1 0 233.233 1.828 10 0 BDAERO C[NH2+]C[C@H](O)Cc1ccc(F)c(F)c1 ZINC000071508145 173377010 /nfs/dbraw/zinc/37/70/10/173377010.db2.gz QOMBNXIYGIKNIJ-MRVPVSSYSA-N 1 0 201.216 1.088 10 0 BDAERO C[NH2+]C[C@H](O)CSc1cccc(C)c1 ZINC000019686977 173377059 /nfs/dbraw/zinc/37/70/59/173377059.db2.gz IFFVCSNAHGJRLT-JTQLQIEISA-N 1 0 211.330 1.667 10 0 BDAERO C[NH2+]C[C@H](O)c1ccccc1OCC(C)C ZINC000032014611 173377290 /nfs/dbraw/zinc/37/72/90/173377290.db2.gz GZEMMLBEBQYHNZ-LBPRGKRZSA-N 1 0 223.316 1.974 10 0 BDAERO C[NH2+]C[C@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000071548813 173382861 /nfs/dbraw/zinc/38/28/61/173382861.db2.gz OTUWDMURHPLPMU-ZDUSSCGKSA-N 1 0 238.306 1.246 10 0 BDAERO C[NH2+]C[C@](C)(O)Cc1ccc(OC)cc1OC ZINC000019684572 173383082 /nfs/dbraw/zinc/38/30/82/173383082.db2.gz PPGDIVKLOLWPPI-CYBMUJFWSA-N 1 0 239.315 1.217 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N(C)[C@H](C)C(C)C ZINC000036787899 173384130 /nfs/dbraw/zinc/38/41/30/173384130.db2.gz HFUOKFOIHSYFCX-LLVKDONJSA-N 1 0 238.379 1.929 10 0 BDAERO C[NH2+]Cc1c(N(C)C2CC2)nc2ccccn21 ZINC000035449113 173384828 /nfs/dbraw/zinc/38/48/28/173384828.db2.gz POVJRYPGBHPMJI-UHFFFAOYSA-N 1 0 230.315 1.652 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H]1C ZINC000037911798 173385045 /nfs/dbraw/zinc/38/50/45/173385045.db2.gz PXJFQTDSMJZBTF-VIFPVBQESA-N 1 0 222.336 1.437 10 0 BDAERO C[NH2+]Cc1cc(-n2cnc(C)c2C)ccn1 ZINC000051928506 173385981 /nfs/dbraw/zinc/38/59/81/173385981.db2.gz JSZDEIIHYYMTRY-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1cc(CN2CCCO[C@@H](C)C2)on1 ZINC000061935416 173386656 /nfs/dbraw/zinc/38/66/56/173386656.db2.gz FRSDNNFEQGHZSH-JTQLQIEISA-N 1 0 239.319 1.005 10 0 BDAERO C[NH2+]Cc1cc(N(C)C[C@@H]2CCCO2)ccn1 ZINC000051486252 173387586 /nfs/dbraw/zinc/38/75/86/173387586.db2.gz XFPRHOHWXHXRLQ-ZDUSSCGKSA-N 1 0 235.331 1.416 10 0 BDAERO C[NH2+]Cc1cccc(OC)c1OCCCOC ZINC000037753498 173389388 /nfs/dbraw/zinc/38/93/88/173389388.db2.gz ZYPQSHBMXNMRSM-UHFFFAOYSA-N 1 0 239.315 1.830 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)c2ccnn2C)c1 ZINC000036903165 173389578 /nfs/dbraw/zinc/38/95/78/173389578.db2.gz NQWNSTFNTDXXJB-UHFFFAOYSA-N 1 0 244.298 1.392 10 0 BDAERO C[NH2+]Cc1ccccc1Cn1nc(C)nc1C ZINC000052574505 173390047 /nfs/dbraw/zinc/39/00/47/173390047.db2.gz IDDNOBAXMVLGGS-UHFFFAOYSA-N 1 0 230.315 1.663 10 0 BDAERO C[NH2+]Cc1cnc(Cc2ccncc2)s1 ZINC000053136524 173392211 /nfs/dbraw/zinc/39/22/11/173392211.db2.gz DJKMTOKUZZXALP-UHFFFAOYSA-N 1 0 219.313 1.848 10 0 BDAERO C[NH2+]Cc1cnn([C@H]2CCCCC[C@@H]2O)c1C ZINC000054600492 173393286 /nfs/dbraw/zinc/39/32/86/173393286.db2.gz IYVPWTSYXHYPGF-STQMWFEESA-N 1 0 237.347 1.777 10 0 BDAERO C[NH2+]Cc1csc(Cc2ccccn2)n1 ZINC000040999581 173393605 /nfs/dbraw/zinc/39/36/05/173393605.db2.gz MMDBZJCGGMKTTE-UHFFFAOYSA-N 1 0 219.313 1.848 10 0 BDAERO C[NH2+]Cc1coc(CN2CCOC[C@H]2C)c1 ZINC000052475972 173393619 /nfs/dbraw/zinc/39/36/19/173393619.db2.gz VETJOOOHAPHGHG-SNVBAGLBSA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+]Cc1coc(Cn2cnc(C)c2C)c1 ZINC000052593611 173393901 /nfs/dbraw/zinc/39/39/01/173393901.db2.gz GSBXDZPJNJVIKX-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+]Cc1nc(Cn2cccn2)cs1 ZINC000052574992 173394650 /nfs/dbraw/zinc/39/46/50/173394650.db2.gz ORRIPIOWCIXCAP-UHFFFAOYSA-N 1 0 208.290 1.107 10 0 BDAERO C[NH2+]Cc1nc(Cn2ccnc2)cs1 ZINC000052575575 173395922 /nfs/dbraw/zinc/39/59/22/173395922.db2.gz OXTFWGUYMHURQC-UHFFFAOYSA-N 1 0 208.290 1.107 10 0 BDAERO C[NH2+]Cc1nncn1-c1ccccc1Cl ZINC000067954585 173398334 /nfs/dbraw/zinc/39/83/34/173398334.db2.gz RGWJIKPCPBIDLB-UHFFFAOYSA-N 1 0 222.679 1.640 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H]1CCCc2ccccc21 ZINC000054746440 173398884 /nfs/dbraw/zinc/39/88/84/173398884.db2.gz DBHKMAMSEIONQY-LBPRGKRZSA-N 1 0 243.314 1.318 10 0 BDAERO C[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000036923797 173398954 /nfs/dbraw/zinc/39/89/54/173398954.db2.gz SNMAOQAXHOJMED-UHFFFAOYSA-N 1 0 230.193 1.468 10 0 BDAERO C[NH2+][C@@H](C)c1ccc(-n2cnnc2)cc1 ZINC000055170177 173418603 /nfs/dbraw/zinc/41/86/03/173418603.db2.gz IGUKXLJQPHHBLY-VIFPVBQESA-N 1 0 202.261 1.548 10 0 BDAERO C[NH2+][C@@H](Cc1cccc(F)c1)[C@H]1CCOC1 ZINC000048627904 173425715 /nfs/dbraw/zinc/42/57/15/173425715.db2.gz TUPIXOCANWZZIT-AAEUAGOBSA-N 1 0 223.291 1.993 10 0 BDAERO C[NH2+][C@H](Cc1ccccc1OC)c1cnn(C)c1 ZINC000035500026 173454372 /nfs/dbraw/zinc/45/43/72/173454372.db2.gz GRORFGRYJXUUEU-CYBMUJFWSA-N 1 0 245.326 1.932 10 0 BDAERO C[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000038121073 173469992 /nfs/dbraw/zinc/46/99/92/173469992.db2.gz IDYWWONMMXXDRU-SNVBAGLBSA-N 1 0 244.132 1.876 10 0 BDAERO COC(=O)C(C)(C)C[NH2+]Cc1cc[nH]c1 ZINC000134754137 173503773 /nfs/dbraw/zinc/50/37/73/173503773.db2.gz SGWHZFAKWFICMX-UHFFFAOYSA-N 1 0 210.277 1.304 10 0 BDAERO CC1(C)CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000087253423 487626651 /nfs/dbraw/zinc/62/66/51/487626651.db2.gz JQTKDAPDRGRANU-QWRGUYRKSA-N 1 0 224.348 1.620 10 0 BDAERO COC(=O)N[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000037748022 173660999 /nfs/dbraw/zinc/66/09/99/173660999.db2.gz FLKWNZUIADKRKU-QMMMGPOBSA-N 1 0 208.261 1.562 10 0 BDAERO COC(OC)[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000019729778 173964786 /nfs/dbraw/zinc/96/47/86/173964786.db2.gz KQJXDBCDEWNAAS-SNVBAGLBSA-N 1 0 227.279 1.562 10 0 BDAERO COC1CC([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000336754468 174018652 /nfs/dbraw/zinc/01/86/52/174018652.db2.gz HKAXNIADZYOISG-WNYYMSAVSA-N 1 0 213.321 1.711 10 0 BDAERO COCC(C)(C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000336693101 174072583 /nfs/dbraw/zinc/07/25/83/174072583.db2.gz NGDDBNULUTVMDQ-SNVBAGLBSA-N 1 0 217.353 1.656 10 0 BDAERO COCC(C)(C)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000336735397 174073028 /nfs/dbraw/zinc/07/30/28/174073028.db2.gz LVCMWXMIJPZQAL-RYUDHWBXSA-N 1 0 229.364 1.800 10 0 BDAERO COCC(C)(C)[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000309000515 174077851 /nfs/dbraw/zinc/07/78/51/174077851.db2.gz RJOJZOLZOZOJSQ-SNVBAGLBSA-N 1 0 217.353 1.750 10 0 BDAERO COCC1CC[NH+](CC2(O)CCC2)CC1 ZINC000336646000 174118976 /nfs/dbraw/zinc/11/89/76/174118976.db2.gz JMTLUTTYMCJAKP-UHFFFAOYSA-N 1 0 213.321 1.260 10 0 BDAERO COCCC(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426503 174123341 /nfs/dbraw/zinc/12/33/41/174123341.db2.gz VABXKWIKIVSMQO-CYBMUJFWSA-N 1 0 240.347 1.015 10 0 BDAERO COCCC[N@@H+]1CC(C)(C)NC[C@@H]1C ZINC000041210392 174226815 /nfs/dbraw/zinc/22/68/15/174226815.db2.gz ZEALXLHTDPYXSG-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO COCCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901388 174230756 /nfs/dbraw/zinc/23/07/56/174230756.db2.gz WLPLRGZVPCBZHJ-ZDUSSCGKSA-N 1 0 237.347 1.865 10 0 BDAERO COCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884133 174231535 /nfs/dbraw/zinc/23/15/35/174231535.db2.gz QGNCCYCJIGCYBR-LBPRGKRZSA-N 1 0 238.335 1.027 10 0 BDAERO COCCCN1C[C@H](C(C)C)[NH2+]C[C@H]1C ZINC000082926508 174234670 /nfs/dbraw/zinc/23/46/70/174234670.db2.gz IUSIGDBZYOVVPW-VXGBXAGGSA-N 1 0 214.353 1.341 10 0 BDAERO COCCCNC(=O)[C@H](C)[NH2+]CC1CCCC1 ZINC000037251983 174244160 /nfs/dbraw/zinc/24/41/60/174244160.db2.gz ZRQGTVPTWYVMCU-NSHDSACASA-N 1 0 242.363 1.307 10 0 BDAERO COCCC[NH2+]C[C@H](C)N1CCCO[C@H](C)C1 ZINC000061936440 174247162 /nfs/dbraw/zinc/24/71/62/174247162.db2.gz DLYQPSXGZPKMLO-QWHCGFSZSA-N 1 0 244.379 1.112 10 0 BDAERO COCCC[NH2+]CCN1CCC(C)CC1 ZINC000041227748 174247195 /nfs/dbraw/zinc/24/71/95/174247195.db2.gz UVJZGTKGBAFRGD-UHFFFAOYSA-N 1 0 214.353 1.344 10 0 BDAERO COCCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128873818 174251184 /nfs/dbraw/zinc/25/11/84/174251184.db2.gz WCPVYAYDQPIUAQ-STQMWFEESA-N 1 0 237.347 1.993 10 0 BDAERO COCCCOC[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000037747104 174255032 /nfs/dbraw/zinc/25/50/32/174255032.db2.gz QRVWYJNDCODURY-CYBMUJFWSA-N 1 0 239.315 1.748 10 0 BDAERO COCCCOCCOc1cccc(C[NH3+])c1 ZINC000037996306 174255332 /nfs/dbraw/zinc/25/53/32/174255332.db2.gz TYLVCOAWNSJRTA-UHFFFAOYSA-N 1 0 239.315 1.577 10 0 BDAERO COCCCO[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000037747199 174255983 /nfs/dbraw/zinc/25/59/83/174255983.db2.gz FUALDMVQHFXESA-OLZOCXBDSA-N 1 0 237.299 1.501 10 0 BDAERO COCCC[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309057359 174263970 /nfs/dbraw/zinc/26/39/70/174263970.db2.gz VARBAKHCZKZGMO-QWRGUYRKSA-N 1 0 217.353 1.798 10 0 BDAERO COCCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)C1CC1 ZINC000037814707 174268790 /nfs/dbraw/zinc/26/87/90/174268790.db2.gz AHCLMTVMPVDPIC-JQWIXIFHSA-N 1 0 242.363 1.243 10 0 BDAERO COCC[N@H+](C)C[C@H](O)c1ccc(OC)cc1 ZINC000042256251 174278420 /nfs/dbraw/zinc/27/84/20/174278420.db2.gz FXRBJJOKXZPAEV-ZDUSSCGKSA-N 1 0 239.315 1.307 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1ccccc1 ZINC000041217881 174282610 /nfs/dbraw/zinc/28/26/10/174282610.db2.gz POGALNJFLLRSJB-LBPRGKRZSA-N 1 0 208.305 1.265 10 0 BDAERO COCCN(C)[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042458966 174283914 /nfs/dbraw/zinc/28/39/14/174283914.db2.gz KJNXCCUNWSAUTK-STQMWFEESA-N 1 0 220.316 1.189 10 0 BDAERO COCCN(C[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000042519635 174297262 /nfs/dbraw/zinc/29/72/62/174297262.db2.gz IWTODOHSHDSANR-AWEZNQCLSA-N 1 0 248.370 1.667 10 0 BDAERO COCC[N@@H+]1CCN(Cc2ccncc2)C[C@@H]1C ZINC000130386758 174310832 /nfs/dbraw/zinc/31/08/32/174310832.db2.gz JQDYWGRUOCNAIX-ZDUSSCGKSA-N 1 0 249.358 1.234 10 0 BDAERO COCCN1C[C@@H](C(C)C)[NH2+]C[C@H]1CC(C)C ZINC000062620950 174317286 /nfs/dbraw/zinc/31/72/86/174317286.db2.gz VHMCSGQADPNDEH-KGLIPLIRSA-N 1 0 242.407 1.977 10 0 BDAERO COCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000062614020 174318587 /nfs/dbraw/zinc/31/85/87/174318587.db2.gz PBUIHJMEFJVYQR-CHWSQXEVSA-N 1 0 228.380 1.587 10 0 BDAERO COCCNC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000042205329 174321663 /nfs/dbraw/zinc/32/16/63/174321663.db2.gz BDYDURCXUZBAHH-LLVKDONJSA-N 1 0 236.315 1.100 10 0 BDAERO COCC[NH2+]CCCc1cccc(OC)c1 ZINC000041242639 174332691 /nfs/dbraw/zinc/33/26/91/174332691.db2.gz UEUDYYBGBSDPPW-UHFFFAOYSA-N 1 0 223.316 1.864 10 0 BDAERO COCC[NH2+]CCCOc1ccccc1 ZINC000041582301 174332821 /nfs/dbraw/zinc/33/28/21/174332821.db2.gz RBEIIDXAWSOOFX-UHFFFAOYSA-N 1 0 209.289 1.692 10 0 BDAERO COCC[NH2+][C@@](C)(CO)c1cc(C)ccc1C ZINC000053292646 174338709 /nfs/dbraw/zinc/33/87/09/174338709.db2.gz QOYPWXRPCFLUNB-AWEZNQCLSA-N 1 0 237.343 1.747 10 0 BDAERO COCC[NH2+][C@H](c1nccs1)C1CC1 ZINC000045206189 174340080 /nfs/dbraw/zinc/34/00/80/174340080.db2.gz ITFFUQRYPISNKO-VIFPVBQESA-N 1 0 212.318 1.830 10 0 BDAERO COCCO[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042962936 174366730 /nfs/dbraw/zinc/36/67/30/174366730.db2.gz HKKCFZJHQLJLHN-MFKMUULPSA-N 1 0 239.315 1.747 10 0 BDAERO COCCO[C@H](c1ccc(OC)cc1)[C@H](C)[NH3+] ZINC000042962934 174366871 /nfs/dbraw/zinc/36/68/71/174366871.db2.gz HKKCFZJHQLJLHN-GWCFXTLKSA-N 1 0 239.315 1.747 10 0 BDAERO COCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000052792068 174392391 /nfs/dbraw/zinc/39/23/91/174392391.db2.gz RLDAZXBKGQJWCO-VHSXEESVSA-N 1 0 240.303 1.129 10 0 BDAERO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@H]1C ZINC000309982177 174397201 /nfs/dbraw/zinc/39/72/01/174397201.db2.gz WPSPUGTXBVVSBZ-CYDGBPFRSA-N 1 0 227.348 1.959 10 0 BDAERO COC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336775360 174563488 /nfs/dbraw/zinc/56/34/88/174563488.db2.gz YUTBWWWCYDIHNH-GRYCIOLGSA-N 1 0 233.327 1.502 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCCO)C1(C)C ZINC000336752872 174785327 /nfs/dbraw/zinc/78/53/27/174785327.db2.gz GQJXPRTUCHMGSH-OUAUKWLOSA-N 1 0 215.337 1.408 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309989966 174844292 /nfs/dbraw/zinc/84/42/92/174844292.db2.gz ZVJRWXYZYVORTG-OPRDCNLKSA-N 1 0 228.336 1.057 10 0 BDAERO CO[C@H]1C[NH2+][C@H](CN2CCCCCC2)C1 ZINC000040637309 174900360 /nfs/dbraw/zinc/90/03/60/174900360.db2.gz ISUHEHVEDJGFPL-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO CO[C@H]1C[NH2+][C@H](CN2CCC(C)CC2)C1 ZINC000040637280 174900459 /nfs/dbraw/zinc/90/04/59/174900459.db2.gz AYXAPMDCEKTZSM-NWDGAFQWSA-N 1 0 212.337 1.095 10 0 BDAERO COc1cc(OC)c([C@@H](O)[C@@H](C)[NH3+])c(OC)c1 ZINC000037376584 175008004 /nfs/dbraw/zinc/00/80/04/175008004.db2.gz QXYNTIYYQANHBR-KRTXAFLBSA-N 1 0 241.287 1.093 10 0 BDAERO COc1cc(OC)c([C@@H](O)[C@H](C)[NH3+])cc1OC ZINC000020216890 175008236 /nfs/dbraw/zinc/00/82/36/175008236.db2.gz QWACFKIEVKCELK-MADCSZMMSA-N 1 0 241.287 1.093 10 0 BDAERO COc1cc(OC)c2c(c1)OCC[C@@H]2[NH3+] ZINC000036204562 175008773 /nfs/dbraw/zinc/00/87/73/175008773.db2.gz TVMVIJPIRBELNT-QMMMGPOBSA-N 1 0 209.245 1.486 10 0 BDAERO COc1cc(OC)cc(OCCCC[NH3+])c1 ZINC000036204838 175010144 /nfs/dbraw/zinc/01/01/44/175010144.db2.gz KIZCVBZSROWLNX-UHFFFAOYSA-N 1 0 225.288 1.822 10 0 BDAERO COc1cc(OC)cc(OC(C)(C)C[NH3+])c1 ZINC000020398656 175010503 /nfs/dbraw/zinc/01/05/03/175010503.db2.gz IHBNUEJJLVQSQP-UHFFFAOYSA-N 1 0 225.288 1.820 10 0 BDAERO COc1cc([C@@H](C)[NH2+]CCN(C)C)ccc1O ZINC000022147260 175014236 /nfs/dbraw/zinc/01/42/36/175014236.db2.gz HJQRNVNJMRWCRZ-SNVBAGLBSA-N 1 0 238.331 1.613 10 0 BDAERO COc1cc2c(c(OC)c1)[C@H](C)C[NH2+]C2 ZINC000057494568 175020413 /nfs/dbraw/zinc/02/04/13/175020413.db2.gz FXAVALMSFPNGFV-MRVPVSSYSA-N 1 0 207.273 1.911 10 0 BDAERO COc1cc2c(c(OC)c1OC)[C@@H]([NH3+])CC2 ZINC000019727505 175020618 /nfs/dbraw/zinc/02/06/18/175020618.db2.gz KAEQMRZYODHGKN-QMMMGPOBSA-N 1 0 223.272 1.658 10 0 BDAERO COc1ccc(-n2nnc([C@@H](C)[NH3+])c2C)cc1C ZINC000049531935 175045731 /nfs/dbraw/zinc/04/57/31/175045731.db2.gz DHEQKOMZJXQDGG-SECBINFHSA-N 1 0 246.314 1.912 10 0 BDAERO COc1ccc(Nc2nc(C)cc(NN)[nH+]2)cc1 ZINC000057331517 175050774 /nfs/dbraw/zinc/05/07/74/175050774.db2.gz RSPYAECICFMIEP-UHFFFAOYSA-N 1 0 245.286 1.245 10 0 BDAERO COc1ccc(C(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000036161271 175066247 /nfs/dbraw/zinc/06/62/47/175066247.db2.gz VWKUNXQVHQMUNY-SNVBAGLBSA-N 1 0 223.247 1.769 10 0 BDAERO COc1ccc(C)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000052943377 175073928 /nfs/dbraw/zinc/07/39/28/175073928.db2.gz AZDXXSWEJHEEMX-NSHDSACASA-N 1 0 248.326 1.485 10 0 BDAERO COc1ccc(C)cc1CC[NH2+][C@@H](C)CO ZINC000098124834 175075359 /nfs/dbraw/zinc/07/53/59/175075359.db2.gz PFBXXVVPIOSODX-NSHDSACASA-N 1 0 223.316 1.517 10 0 BDAERO COc1ccc(C)cc1C[C@H]1C[NH2+]CC[C@@H]1O ZINC000071545655 175077088 /nfs/dbraw/zinc/07/70/88/175077088.db2.gz KYSGGROOLDBVDS-STQMWFEESA-N 1 0 235.327 1.517 10 0 BDAERO COc1ccc(CC[C@@H](C)N2CC[NH2+]CC2)cc1 ZINC000038086781 175092401 /nfs/dbraw/zinc/09/24/01/175092401.db2.gz OCMVYHSTEAQEIN-CYBMUJFWSA-N 1 0 248.370 1.922 10 0 BDAERO COc1ccc(CC[NH2+][C@H](C)CO)c(C)c1C ZINC000098126336 175092872 /nfs/dbraw/zinc/09/28/72/175092872.db2.gz IQIFYKQJTHTKPP-SNVBAGLBSA-N 1 0 237.343 1.825 10 0 BDAERO COc1ccc(CC[C@@H](O)CC[NH3+])cc1 ZINC000041218549 175093025 /nfs/dbraw/zinc/09/30/25/175093025.db2.gz PZKHTWVJVHHHDL-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO COc1ccc(COCC[NH3+])cc1OC ZINC000051864402 175113265 /nfs/dbraw/zinc/11/32/65/175113265.db2.gz SGSIRAWKVUZEFA-UHFFFAOYSA-N 1 0 211.261 1.179 10 0 BDAERO COc1ccc(C[C@@H](O)[C@@H]2CCC[NH2+]2)cc1F ZINC000041281779 175115674 /nfs/dbraw/zinc/11/56/74/175115674.db2.gz YLYHLDISLFBPOU-NWDGAFQWSA-N 1 0 239.290 1.490 10 0 BDAERO COc1ccc(Cl)c(NC(=O)C[NH3+])c1 ZINC000043318541 175119004 /nfs/dbraw/zinc/11/90/04/175119004.db2.gz RTNLJLZSALNTDI-UHFFFAOYSA-N 1 0 214.652 1.246 10 0 BDAERO COc1ccc(F)cc1[C@@H]([NH3+])CN(C)C ZINC000071518531 175132610 /nfs/dbraw/zinc/13/26/10/175132610.db2.gz XHEUDJAXQGYEBR-JTQLQIEISA-N 1 0 212.268 1.396 10 0 BDAERO COc1ccc(F)cc1[C@H](O)C1CC[NH2+]CC1 ZINC000036164249 175134705 /nfs/dbraw/zinc/13/47/05/175134705.db2.gz BJIKWSDMVCMHIP-CYBMUJFWSA-N 1 0 239.290 1.867 10 0 BDAERO COc1ccc(N)cc1NC(=O)CC[NH+](C)C ZINC000022177168 175138910 /nfs/dbraw/zinc/13/89/10/175138910.db2.gz PGOQCJURKCIVCE-UHFFFAOYSA-N 1 0 237.303 1.168 10 0 BDAERO COc1ccc(N2CC[NH2+]CCC2=O)cc1 ZINC000071522455 175139718 /nfs/dbraw/zinc/13/97/18/175139718.db2.gz MKUBQXVKQQZIEC-UHFFFAOYSA-N 1 0 220.272 1.022 10 0 BDAERO COc1ccc([C@H]([NH3+])CO)c(Cl)c1Cl ZINC000077371780 175191769 /nfs/dbraw/zinc/19/17/69/175191769.db2.gz IWAUOPLXDUXVQL-ZCFIWIBFSA-N 1 0 236.098 1.994 10 0 BDAERO COc1ccc(NC(=O)[C@@H](C)[NH+](C)C)c(N)c1 ZINC000022209695 175145005 /nfs/dbraw/zinc/14/50/05/175145005.db2.gz WWLLLMPLBDWWTC-MRVPVSSYSA-N 1 0 237.303 1.166 10 0 BDAERO COc1ccc(NC(=O)[C@H](C)[NH3+])cc1C ZINC000049531984 175146613 /nfs/dbraw/zinc/14/66/13/175146613.db2.gz VFRNOGKLYYDPMS-QMMMGPOBSA-N 1 0 208.261 1.289 10 0 BDAERO COc1ccc(NC[C@H](C)C(N)=O)c(OC)c1 ZINC000037227143 175151731 /nfs/dbraw/zinc/15/17/31/175151731.db2.gz AVERKQAMBNCMRG-QMMMGPOBSA-N 1 0 238.287 1.237 10 0 BDAERO COc1ccc(OC)c(-c2c[nH]c(N)[nH+]2)c1 ZINC000036159912 175162933 /nfs/dbraw/zinc/16/29/33/175162933.db2.gz RJLNJGUNSITURG-UHFFFAOYSA-N 1 0 219.244 1.676 10 0 BDAERO COc1ccc(OC(=O)N(C)CC[NH3+])cc1 ZINC000000025026 175162948 /nfs/dbraw/zinc/16/29/48/175162948.db2.gz WJEARGSXWKIRHL-UHFFFAOYSA-N 1 0 224.260 1.085 10 0 BDAERO COc1ccc(OC)c(CC[C@@H](C)[NH3+])c1 ZINC000011631321 175165680 /nfs/dbraw/zinc/16/56/80/175165680.db2.gz OFBBQEMYFASANF-SECBINFHSA-N 1 0 209.289 1.984 10 0 BDAERO COc1ccc(OC)c(C[C@@](C)(C[NH3+])CO)c1 ZINC000011978960 175166360 /nfs/dbraw/zinc/16/63/60/175166360.db2.gz PQHCBYLGJNAVHE-ZDUSSCGKSA-N 1 0 239.315 1.204 10 0 BDAERO COc1ccc(OC)c2c1ccn2CC[NH3+] ZINC000059731343 175171443 /nfs/dbraw/zinc/17/14/43/175171443.db2.gz QIHMAHXQJHSQBA-UHFFFAOYSA-N 1 0 220.272 1.617 10 0 BDAERO COc1ccc([C@@H](CC[NH3+])N(C)C)c(OC)c1 ZINC000041280510 175178177 /nfs/dbraw/zinc/17/81/77/175178177.db2.gz JGWQNCYPWWYERK-GFCCVEGCSA-N 1 0 238.331 1.655 10 0 BDAERO COc1ccc([C@@H](N)CC[NH+](C)C)c(OC)c1 ZINC000020274061 175179349 /nfs/dbraw/zinc/17/93/49/175179349.db2.gz YHNDUYBQUDJAGY-LBPRGKRZSA-N 1 0 238.331 1.655 10 0 BDAERO COc1ccc([C@@H]2C[C@@H](C[NH3+])OC2=O)cc1 ZINC000013451212 175184698 /nfs/dbraw/zinc/18/46/98/175184698.db2.gz ZQPKBRYJALEZGX-QWRGUYRKSA-N 1 0 221.256 1.053 10 0 BDAERO COc1ccc([C@H](C[NH3+])n2ccnc2C)cc1 ZINC000042962247 175190828 /nfs/dbraw/zinc/19/08/28/175190828.db2.gz QTAIUBOXHHMMEW-ZDUSSCGKSA-N 1 0 231.299 1.748 10 0 BDAERO COc1ccc([C@H](N)CC[NH+](C)C)c(OC)c1 ZINC000020274062 175191778 /nfs/dbraw/zinc/19/17/78/175191778.db2.gz YHNDUYBQUDJAGY-GFCCVEGCSA-N 1 0 238.331 1.655 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H](C)O)cc1OC ZINC000041225487 175192291 /nfs/dbraw/zinc/19/22/91/175192291.db2.gz WDBHJUBJCOLXGR-RDDDGLTNSA-N 1 0 211.261 1.084 10 0 BDAERO COc1ccc([C@H]2CN(C3CC3)CC[NH2+]2)cc1 ZINC000056894872 175195552 /nfs/dbraw/zinc/19/55/52/175195552.db2.gz NQLUUAWZZBECID-CQSZACIVSA-N 1 0 232.327 1.804 10 0 BDAERO COc1ccc([C@H]2[C@H]([NH3+])CCCN2C)cc1F ZINC000076684478 175198878 /nfs/dbraw/zinc/19/88/78/175198878.db2.gz HNAPQKHGPOCONY-YPMHNXCESA-N 1 0 238.306 1.928 10 0 BDAERO COc1ccc([C@]2(C)OC[C@@H](C[NH3+])O2)cc1 ZINC000049819266 175200214 /nfs/dbraw/zinc/20/02/14/175200214.db2.gz DJYGMCICLTZZGT-VXGBXAGGSA-N 1 0 223.272 1.242 10 0 BDAERO COc1ccc2c(c1)CC[C@@H](n1cncn1)[C@H]2[NH3+] ZINC000019387248 175210200 /nfs/dbraw/zinc/21/02/00/175210200.db2.gz KHTXMAXOISOTLI-OLZOCXBDSA-N 1 0 244.298 1.474 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](O)CCC2 ZINC000039941526 175216191 /nfs/dbraw/zinc/21/61/91/175216191.db2.gz CDTLEIRLGGLWRL-NEPJUHHUSA-N 1 0 207.273 1.392 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH2+]CCO)CCO2 ZINC000037250654 175216356 /nfs/dbraw/zinc/21/63/56/175216356.db2.gz MCYFVLPTOYUBPK-LLVKDONJSA-N 1 0 223.272 1.101 10 0 BDAERO COc1ccc2c(c1)[C@]1(CC2)C[NH2+]CCO1 ZINC000062152432 175217480 /nfs/dbraw/zinc/21/74/80/175217480.db2.gz FHJIAXSSZBWWCX-ZDUSSCGKSA-N 1 0 219.284 1.457 10 0 BDAERO COc1ccc2c(c1C[C@@H](C)[NH3+])CCO2 ZINC000013860960 175221180 /nfs/dbraw/zinc/22/11/80/175221180.db2.gz XDJBFAKEKIPGDT-MRVPVSSYSA-N 1 0 207.273 1.520 10 0 BDAERO COc1cccc(-c2nccc(C[NH3+])n2)c1 ZINC000054791102 175237784 /nfs/dbraw/zinc/23/77/84/175237784.db2.gz UMHDFELGMXHOEE-UHFFFAOYSA-N 1 0 215.256 1.611 10 0 BDAERO COc1cccc(C(=O)NCCCCC[NH3+])c1 ZINC000074320120 175244187 /nfs/dbraw/zinc/24/41/87/175244187.db2.gz BDYNCPQAKQWCIA-UHFFFAOYSA-N 1 0 236.315 1.554 10 0 BDAERO COc1cccc(CCC[C@H](O)C[NH3+])c1 ZINC000071511671 175251251 /nfs/dbraw/zinc/25/12/51/175251251.db2.gz AVLCJWCZYDANLQ-NSHDSACASA-N 1 0 209.289 1.338 10 0 BDAERO COc1cccc(CCN2CC[NH2+][C@H](C)C2)c1 ZINC000071544663 175251472 /nfs/dbraw/zinc/25/14/72/175251472.db2.gz XXXNYIDXWBYKOU-GFCCVEGCSA-N 1 0 234.343 1.531 10 0 BDAERO COc1cccc(COCCCC[NH3+])c1 ZINC000019472901 175269844 /nfs/dbraw/zinc/26/98/44/175269844.db2.gz KMXHVLHGBKPMPN-UHFFFAOYSA-N 1 0 209.289 1.951 10 0 BDAERO COc1cccc(C[C@@H](O)C2CC[NH2+]CC2)c1 ZINC000041266101 175271483 /nfs/dbraw/zinc/27/14/83/175271483.db2.gz ZLDRWDRPTCOQDB-CQSZACIVSA-N 1 0 235.327 1.598 10 0 BDAERO COc1cccc(C[C@@H](O)C[NH2+]C(C)C)c1 ZINC000071525165 175271954 /nfs/dbraw/zinc/27/19/54/175271954.db2.gz GUDALUSNRJRKPF-GFCCVEGCSA-N 1 0 223.316 1.597 10 0 BDAERO COc1cccc(Cc2nccc(CC[NH3+])n2)c1 ZINC000054833733 175273385 /nfs/dbraw/zinc/27/33/85/175273385.db2.gz RWUNFEVSPLBKLU-UHFFFAOYSA-N 1 0 243.310 1.577 10 0 BDAERO COc1cccc(N2CCC[C@@H]2CCC[NH3+])n1 ZINC000104303491 175275486 /nfs/dbraw/zinc/27/54/86/175275486.db2.gz PSQRFLGCKFSDCH-NSHDSACASA-N 1 0 235.331 1.798 10 0 BDAERO COc1cccc(OC)c1OCC[NH2+]C1CC1 ZINC000020525025 175282481 /nfs/dbraw/zinc/28/24/81/175282481.db2.gz XAPNRFSQNZZKRH-UHFFFAOYSA-N 1 0 237.299 1.835 10 0 BDAERO COc1cccc(OCCCC(N)=[NH2+])c1 ZINC000019434009 175283729 /nfs/dbraw/zinc/28/37/29/175283729.db2.gz FRCWESAQMNVAJC-UHFFFAOYSA-N 1 0 208.261 1.790 10 0 BDAERO COc1cccc([C@@H]([C@H](C)[NH3+])n2cncn2)c1 ZINC000043028731 175290231 /nfs/dbraw/zinc/29/02/31/175290231.db2.gz YUHNLBQJRUGHNV-JOYOIKCWSA-N 1 0 232.287 1.223 10 0 BDAERO COc1cccc([C@H]([NH3+])CN2CCOCC2)c1 ZINC000019821408 175294162 /nfs/dbraw/zinc/29/41/62/175294162.db2.gz HNQYYWUGBURUEW-CYBMUJFWSA-N 1 0 236.315 1.027 10 0 BDAERO COc1cccc([C@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000037869394 175295079 /nfs/dbraw/zinc/29/50/79/175295079.db2.gz SLEJHXKDRPSSNP-NSHDSACASA-N 1 0 222.288 1.220 10 0 BDAERO COc1ccccc1C(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000063173899 175318796 /nfs/dbraw/zinc/31/87/96/175318796.db2.gz VSOCAJATJFTRCY-QWRGUYRKSA-N 1 0 234.299 1.305 10 0 BDAERO COc1ccccc1CCC(=O)CC[NH3+] ZINC000071510470 175321380 /nfs/dbraw/zinc/32/13/80/175321380.db2.gz VTIIHCYRQRIASP-UHFFFAOYSA-N 1 0 207.273 1.546 10 0 BDAERO COc1ccccc1C[C@@H]1C[NH2+]CC[C@H]1O ZINC000071522977 175333169 /nfs/dbraw/zinc/33/31/69/175333169.db2.gz OFRGYTOBYRAXTE-VXGBXAGGSA-N 1 0 221.300 1.208 10 0 BDAERO COc1ccccc1Cc1nc([C@H](C)[NH3+])no1 ZINC000041122032 175334487 /nfs/dbraw/zinc/33/44/87/175334487.db2.gz LTUVEHUEIFOJTJ-QMMMGPOBSA-N 1 0 233.271 1.689 10 0 BDAERO COc1ccccc1OCCO[C@H](C)C[NH3+] ZINC000074527875 175341603 /nfs/dbraw/zinc/34/16/03/175341603.db2.gz ULAGSXBTSRQLBB-SNVBAGLBSA-N 1 0 225.288 1.438 10 0 BDAERO COc1ccccc1[C@H]1C[NH2+]CCCO1 ZINC000035598826 175355072 /nfs/dbraw/zinc/35/50/72/175355072.db2.gz BTJRYXUOKMANBT-GFCCVEGCSA-N 1 0 207.273 1.746 10 0 BDAERO COc1ccnc(Oc2cccc(C[NH3+])c2)n1 ZINC000021968873 175367895 /nfs/dbraw/zinc/36/78/95/175367895.db2.gz AZRMDVBDVHSPKT-UHFFFAOYSA-N 1 0 231.255 1.736 10 0 BDAERO CS(=O)(=O)c1ccccc1C1([NH3+])CC1 ZINC000082373355 175439821 /nfs/dbraw/zinc/43/98/21/175439821.db2.gz SDKOBIZVQQKWQE-UHFFFAOYSA-N 1 0 211.286 1.038 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)n1cncn1 ZINC000042973134 175810458 /nfs/dbraw/zinc/81/04/58/175810458.db2.gz MMKWAXWNUMRXDB-KCJUWKMLSA-N 1 0 220.251 1.354 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccccc1F)n1cncn1 ZINC000043046077 175813761 /nfs/dbraw/zinc/81/37/61/175813761.db2.gz IMBVDCAKAKFMKI-LDYMZIIASA-N 1 0 220.251 1.354 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCC(=O)NC1(C)C)C1CCC1 ZINC000309475603 175923429 /nfs/dbraw/zinc/92/34/29/175923429.db2.gz RVHHKYPUNAMMQF-KOLCDFICSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H](O)C[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747061 175983131 /nfs/dbraw/zinc/98/31/31/175983131.db2.gz PEBZIVFJJWJBEC-RNCFNFMXSA-N 1 0 221.300 1.740 10 0 BDAERO C[C@@H]([C@@H]1CC[NH2+]C1)N(C)C(=O)OC(C)(C)C ZINC000038589217 176012362 /nfs/dbraw/zinc/01/23/62/176012362.db2.gz HVVIYRKKUMDWRP-VHSXEESVSA-N 1 0 228.336 1.851 10 0 BDAERO C[C@@H](c1ccc(F)cc1)N1C[C@H]([NH3+])CC1=O ZINC000049511352 176015586 /nfs/dbraw/zinc/01/55/86/176015586.db2.gz FHPNJEDCXWZTNU-GZMMTYOYSA-N 1 0 222.263 1.446 10 0 BDAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCC[C@@H]1CO ZINC000042432733 176017943 /nfs/dbraw/zinc/01/79/43/176017943.db2.gz TUPYJAQHGHJXMT-GXFFZTMASA-N 1 0 220.316 1.787 10 0 BDAERO C[C@@H](c1ccccc1)N1C[C@H](C[NH3+])CC1=O ZINC000019669320 176021501 /nfs/dbraw/zinc/02/15/01/176021501.db2.gz MQWBTGPUOJDPOY-QWRGUYRKSA-N 1 0 218.300 1.555 10 0 BDAERO C[C@@H](c1cccs1)N1CC[C@H]([NH3+])C1=O ZINC000049648767 176034585 /nfs/dbraw/zinc/03/45/85/176034585.db2.gz XDKBRYJLUBAXHU-YUMQZZPRSA-N 1 0 210.302 1.369 10 0 BDAERO C[C@@H]1CC(=O)N(CCOc2ccc(C[NH3+])cc2)C1 ZINC000062815977 176048722 /nfs/dbraw/zinc/04/87/22/176048722.db2.gz HVGXVRFDMJQIFD-LLVKDONJSA-N 1 0 248.326 1.393 10 0 BDAERO C[C@H](c1ccc(C[NH3+])cc1)N1C(=O)C[C@@H](C)C1=O ZINC000038051805 176048801 /nfs/dbraw/zinc/04/88/01/176048801.db2.gz ADWHOZSYOGVYJT-NXEZZACHSA-N 1 0 246.310 1.601 10 0 BDAERO C[C@H]1CC([NH2+]CCOCCO)C[C@@H](C)C1 ZINC000082829625 176055517 /nfs/dbraw/zinc/05/55/17/176055517.db2.gz NZTGYVOEPBTVGY-FOSCPWQOSA-N 1 0 215.337 1.410 10 0 BDAERO C[C@@H]1CCCCN1Cc1csc(C[NH3+])n1 ZINC000052378873 176074487 /nfs/dbraw/zinc/07/44/87/176074487.db2.gz WMDGWLFGAKXABK-SECBINFHSA-N 1 0 225.361 1.976 10 0 BDAERO C[C@@H]1CCCC[C@@]1([NH3+])C(=O)OC[C@@H]1CCOC1 ZINC000049688386 176083140 /nfs/dbraw/zinc/08/31/40/176083140.db2.gz UGDIFWGGNQTXGA-WZRBSPASSA-N 1 0 241.331 1.474 10 0 BDAERO C[C@@H]1CCCC[C@H]1[N@H+](C)CCn1ccc(N)n1 ZINC000071378143 176086416 /nfs/dbraw/zinc/08/64/16/176086416.db2.gz COCVLRFYIIESAE-VXGBXAGGSA-N 1 0 236.363 1.976 10 0 BDAERO C[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cn2)[C@@H]1C ZINC000104208329 176095746 /nfs/dbraw/zinc/09/57/46/176095746.db2.gz CVUVEOOEQPOUBJ-GHMZBOCLSA-N 1 0 247.342 1.801 10 0 BDAERO C[C@@H]1CCCN(CC(F)(F)F)[C@H]1C[NH3+] ZINC000252150369 176096183 /nfs/dbraw/zinc/09/61/83/176096183.db2.gz MKOOOBJUHJNWLW-SFYZADRCSA-N 1 0 210.243 1.608 10 0 BDAERO C[C@@H]1CCC[N@@H+]([C@]2(CN)CCSC2)C1 ZINC000034679251 176102761 /nfs/dbraw/zinc/10/27/61/176102761.db2.gz JDSRJLQUKAOGNN-MNOVXSKESA-N 1 0 214.378 1.553 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(C)C1CCOCC1 ZINC000051792992 176111152 /nfs/dbraw/zinc/11/11/52/176111152.db2.gz TZBLVDMRIYYFCT-PWSUYJOCSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1CN1C(=O)CCCCC1=O ZINC000071339264 176112252 /nfs/dbraw/zinc/11/22/52/176112252.db2.gz CATGKCZOQCUXHU-GHMZBOCLSA-N 1 0 238.331 1.304 10 0 BDAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)OCC2CC2)C1 ZINC000041036806 176133379 /nfs/dbraw/zinc/13/33/79/176133379.db2.gz OJSUOOOYZMPOPK-SKDRFNHKSA-N 1 0 211.305 1.847 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)NCc2ccco2)[NH2+]1 ZINC000019504224 176135728 /nfs/dbraw/zinc/13/57/28/176135728.db2.gz OBIXGKHDSOQSKK-MWLCHTKSSA-N 1 0 222.288 1.426 10 0 BDAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H](CO)C2)C1 ZINC000309454895 176137132 /nfs/dbraw/zinc/13/71/32/176137132.db2.gz PKGFAPYCBPRLBF-AGIUHOORSA-N 1 0 227.348 1.506 10 0 BDAERO C[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000040724561 176154556 /nfs/dbraw/zinc/15/45/56/176154556.db2.gz OJZXYQJTCTUOBR-KPPDAEKUSA-N 1 0 210.321 1.372 10 0 BDAERO C[C@@H]1CCN(C(=O)C[NH2+]C2CCCC2)C1 ZINC000040724627 176155376 /nfs/dbraw/zinc/15/53/76/176155376.db2.gz UIUCVZIVCIBOAY-SNVBAGLBSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050949787 176155799 /nfs/dbraw/zinc/15/57/99/176155799.db2.gz HLJVUPIHSXLPHE-NEPJUHHUSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@@H]1CCN(CCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000235278472 176168817 /nfs/dbraw/zinc/16/88/17/176168817.db2.gz RPTIFGVAPJKDJJ-RKDXNWHRSA-N 1 0 224.270 1.998 10 0 BDAERO C[C@@H]1CCN([C@@H](C[NH3+])c2cccnc2)C1 ZINC000042278873 176180391 /nfs/dbraw/zinc/18/03/91/176180391.db2.gz XHCKCPMESZZPMT-PWSUYJOCSA-N 1 0 205.305 1.423 10 0 BDAERO C[C@@H]1CCSCC[N@@H+]1CC(C)(C)O ZINC000307675896 176193797 /nfs/dbraw/zinc/19/37/97/176193797.db2.gz GOGUPWGJHIUSKG-SECBINFHSA-N 1 0 203.351 1.585 10 0 BDAERO C[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H]1[NH+](C)C ZINC000226091153 176297000 /nfs/dbraw/zinc/29/70/00/176297000.db2.gz RVUSLEONDNFOQH-VHDGCEQUSA-N 1 0 248.370 1.602 10 0 BDAERO C[C@@H]1CN(C[C@H]([NH3+])C(C)(C)C)CC(C)(C)O1 ZINC000045685346 176299135 /nfs/dbraw/zinc/29/91/35/176299135.db2.gz VAQJEEHDPTYJTF-MNOVXSKESA-N 1 0 228.380 1.859 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])C2CC2)CC(C)(C)O1 ZINC000045664372 176315189 /nfs/dbraw/zinc/31/51/89/176315189.db2.gz VXMHWHSBFAQJCS-KOLCDFICSA-N 1 0 212.337 1.223 10 0 BDAERO C[C@@H]1C[NH+]([C@@H]2CCCC[C@@H]2O)C[C@@H](C)N1C ZINC000123590527 176315882 /nfs/dbraw/zinc/31/58/82/176315882.db2.gz PAIJDAHOVVFTOY-LPWJVIDDSA-N 1 0 226.364 1.314 10 0 BDAERO C[C@@H]1CN(c2cc[nH+]cc2N)CCCO1 ZINC000061916754 176320091 /nfs/dbraw/zinc/32/00/91/176320091.db2.gz GUIDTTLINUOSDD-SECBINFHSA-N 1 0 207.277 1.279 10 0 BDAERO C[C@@H]1CN(c2ncc(C[NH3+])s2)CCCO1 ZINC000061936801 176320907 /nfs/dbraw/zinc/32/09/07/176320907.db2.gz BXOKRKASXGTEEI-MRVPVSSYSA-N 1 0 227.333 1.217 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240.391 1.861 10 0 BDAERO C[C@H]1CCCN(C(=O)[C@@](C)([NH3+])C2CC2)C1 ZINC000037478732 177093813 /nfs/dbraw/zinc/09/38/13/177093813.db2.gz BCQSFQUNBFWNAB-CABZTGNLSA-N 1 0 210.321 1.372 10 0 BDAERO C[C@H]1CCC[N@H+](C[C@H](O)c2cccnc2)C1 ZINC000062355332 177099302 /nfs/dbraw/zinc/09/93/02/177099302.db2.gz XDSMKLDEKAZFFJ-AAEUAGOBSA-N 1 0 220.316 1.847 10 0 BDAERO C[C@H]1CCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000037912218 177106500 /nfs/dbraw/zinc/10/65/00/177106500.db2.gz MEIKHQHVHOTBNU-QWRGUYRKSA-N 1 0 210.321 1.530 10 0 BDAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1ccccc1O ZINC000071338435 177113007 /nfs/dbraw/zinc/11/30/07/177113007.db2.gz QWVSBEGGUARGNC-JQWIXIFHSA-N 1 0 248.326 1.510 10 0 BDAERO C[C@H]1CCC[C@@H]([N@H+](C)CCNCC[NH+](C)C)C1 ZINC000053426679 177120064 /nfs/dbraw/zinc/12/00/64/177120064.db2.gz MLRURICTDAQGJO-UONOGXRCSA-N 1 0 241.423 1.648 10 0 BDAERO C[C@H]1CCC[C@@](CO)([NH2+]Cc2cnn(C)c2)C1 ZINC000053116159 177127599 /nfs/dbraw/zinc/12/75/99/177127599.db2.gz MMDHTGTUXRTZPI-WCQYABFASA-N 1 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177340089 /nfs/dbraw/zinc/34/00/89/177340089.db2.gz PSLWOZMTWNBFPW-CABZTGNLSA-N 1 0 218.300 1.764 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000052287388 177349843 /nfs/dbraw/zinc/34/98/43/177349843.db2.gz VTRCVDOHEYMHIA-KWQFWETISA-N 1 0 204.273 1.284 10 0 BDAERO C[C@H]1C[C@H]([NH3+])c2c(F)ccc(F)c2S1(=O)=O ZINC000035752405 177364219 /nfs/dbraw/zinc/36/42/19/177364219.db2.gz HQHKWCQGVFNMKC-XNCJUZBTSA-N 1 0 247.266 1.531 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000052287679 177385769 /nfs/dbraw/zinc/38/57/69/177385769.db2.gz SHDAXUIYERBSNT-GZMMTYOYSA-N 1 0 222.263 1.762 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000340232398 177385801 /nfs/dbraw/zinc/38/58/01/177385801.db2.gz UGSIBMDOVRVLBY-WNYYMSAVSA-N 1 0 245.388 1.588 10 0 BDAERO C[C@H]1C[C@](O)(C[NH3+])c2cc(Cl)ccc21 ZINC000041225980 177387179 /nfs/dbraw/zinc/38/71/79/177387179.db2.gz ZUQQMBWFYZRWNP-CPCISQLKSA-N 1 0 211.692 1.994 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cccnc1 ZINC000335598264 177395332 /nfs/dbraw/zinc/39/53/32/177395332.db2.gz WAFVNLWJYRDGIB-PWSUYJOCSA-N 1 0 233.315 1.086 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000127318542 177402682 /nfs/dbraw/zinc/40/26/82/177402682.db2.gz JOFBMSWKTKKEIF-SCZZXKLOSA-N 1 0 241.360 1.476 10 0 BDAERO C[C@]([NH3+])(CO)c1ccc(C(F)(F)F)cc1 ZINC000038124418 177444290 /nfs/dbraw/zinc/44/42/90/177444290.db2.gz ACYMSEPFNJPFKQ-VIFPVBQESA-N 1 0 219.206 1.872 10 0 BDAERO CC[C@H]([NH3+])CNc1ncnc2c1CCCC2 ZINC000087308222 487638639 /nfs/dbraw/zinc/63/86/39/487638639.db2.gz WTYBUBXPORTRCT-VIFPVBQESA-N 1 0 220.320 1.505 10 0 BDAERO C[C@H](N[C@H]1COc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400419590 225233814 /nfs/dbraw/zinc/23/38/14/225233814.db2.gz WKDJGCMSMSTCBX-GVXVVHGQSA-N 1 0 232.327 1.708 10 0 BDAERO COC1(CC[N@@H+]2C[C@@H](C)C[C@H](O)C2)CCC1 ZINC000401753648 225234681 /nfs/dbraw/zinc/23/46/81/225234681.db2.gz ORFUIKFJOPODMZ-RYUDHWBXSA-N 1 0 227.348 1.648 10 0 BDAERO O=C1NC[C@@H](C[N@H+](C2CC2)C2CCCC2)O1 ZINC000496711666 226312189 /nfs/dbraw/zinc/31/21/89/226312189.db2.gz DQYWFXASMMGZRO-NSHDSACASA-N 1 0 224.304 1.502 10 0 BDAERO CO[C@@H](C[N@@H+]1CC[C@H](CCO)C1)C1CC1 ZINC000400255211 226338489 /nfs/dbraw/zinc/33/84/89/226338489.db2.gz FHXCNGVVYGJOFP-PWSUYJOCSA-N 1 0 213.321 1.116 10 0 BDAERO CCn1cc(N[C@@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000400453863 226343977 /nfs/dbraw/zinc/34/39/77/226343977.db2.gz PJPTVHAQPLGMJO-UWVGGRQHSA-N 1 0 208.309 1.313 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CCOCC(F)(F)F)C1 ZINC000401971268 226363817 /nfs/dbraw/zinc/36/38/17/226363817.db2.gz ZWZFTRIVASJZBM-IUCAKERBSA-N 1 0 241.253 1.268 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000232784327 487654109 /nfs/dbraw/zinc/65/41/09/487654109.db2.gz DCVUVWRTWXQWCY-KOLCDFICSA-N 1 0 234.347 1.692 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000228477915 487655191 /nfs/dbraw/zinc/65/51/91/487655191.db2.gz GKRCAICYJXVORE-IJLUTSLNSA-N 1 0 242.363 1.386 10 0 BDAERO OCCC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000383672645 487660018 /nfs/dbraw/zinc/66/00/18/487660018.db2.gz MGRBQYSLGBPHNS-UONOGXRCSA-N 1 0 241.375 1.632 10 0 BDAERO [NH3+]CCCCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000070202597 487662845 /nfs/dbraw/zinc/66/28/45/487662845.db2.gz OOWXUVDXIKLTMH-RYUDHWBXSA-N 1 0 240.347 1.285 10 0 BDAERO [NH3+]CCCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000070202074 487662488 /nfs/dbraw/zinc/66/24/88/487662488.db2.gz PNTNWENAJZMEBB-GFCCVEGCSA-N 1 0 248.326 1.755 10 0 BDAERO C[Si](C)(C)CCOC(=O)NCCC[NH3+] ZINC000238524185 487667315 /nfs/dbraw/zinc/66/73/15/487667315.db2.gz UKQQBQBQCSJYFA-UHFFFAOYSA-N 1 0 218.373 1.400 10 0 BDAERO C[C@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)C1CC1 ZINC000087617183 487671479 /nfs/dbraw/zinc/67/14/79/487671479.db2.gz QORYJXUYKOXITQ-IINYFYTJSA-N 1 0 244.338 1.788 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)Nc1ccccc1 ZINC000087655052 487675387 /nfs/dbraw/zinc/67/53/87/487675387.db2.gz OACHZDCDJFOIRC-JTQLQIEISA-N 1 0 219.288 1.418 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)[C@H](C)O1 ZINC000395181442 262767885 /nfs/dbraw/zinc/76/78/85/262767885.db2.gz SRBLZXJQSFWLMW-SJHCENCUSA-N 1 0 227.348 1.693 10 0 BDAERO C[C@H]([NH3+])CNc1ccc(C(F)(F)F)cn1 ZINC000082575729 487678628 /nfs/dbraw/zinc/67/86/28/487678628.db2.gz KXVIFRAJPHRDOI-LURJTMIESA-N 1 0 219.210 1.860 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000205526709 487678700 /nfs/dbraw/zinc/67/87/00/487678700.db2.gz AXERYGALENANRB-RYUDHWBXSA-N 1 0 226.364 1.316 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(Cc1cccs1)C1CC1 ZINC000054074984 487681862 /nfs/dbraw/zinc/68/18/62/487681862.db2.gz CAFLPHLQURZZLW-SECBINFHSA-N 1 0 238.356 1.847 10 0 BDAERO CCN(CC[NH3+])c1cc(C(C)C)ncn1 ZINC000082591963 487686171 /nfs/dbraw/zinc/68/61/71/487686171.db2.gz MOLHOYJKPQOPFS-UHFFFAOYSA-N 1 0 208.309 1.385 10 0 BDAERO [NH3+]C1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC000082593206 487686473 /nfs/dbraw/zinc/68/64/73/487686473.db2.gz OKYPMRZPXYEEBO-UHFFFAOYSA-N 1 0 216.206 1.853 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N(CC)[C@@H](C)CC ZINC000036873175 487689433 /nfs/dbraw/zinc/68/94/33/487689433.db2.gz YAOPSZFIUFLZCD-VHSXEESVSA-N 1 0 200.326 1.761 10 0 BDAERO CCN(CC[NH3+])c1ncnc2sccc21 ZINC000082592007 487695303 /nfs/dbraw/zinc/69/53/03/487695303.db2.gz XSORFJRVPXYABX-UHFFFAOYSA-N 1 0 222.317 1.476 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCc3ccccn3)C[C@@H]2C1 ZINC000398822124 262770704 /nfs/dbraw/zinc/77/07/04/262770704.db2.gz ZOGWWMNXTPQFKK-KCQAQPDRSA-N 1 0 246.354 1.717 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCCCF ZINC000395240552 262784909 /nfs/dbraw/zinc/78/49/09/262784909.db2.gz PZJZMOATGPIDOH-WDEREUQCSA-N 1 0 203.301 1.971 10 0 BDAERO CC[C@H](COC)N[C@H]1CCC[NH2+][C@@H]1C ZINC000396540504 262805421 /nfs/dbraw/zinc/80/54/21/262805421.db2.gz AIYOKZYJQVZLJU-MXWKQRLJSA-N 1 0 200.326 1.142 10 0 BDAERO C[C@H]1C[N@H+](CCC2(O)CCC2)C[C@H]1N(C)C ZINC000396795880 262822053 /nfs/dbraw/zinc/82/20/53/262822053.db2.gz XEKNNMTTZXKSGT-NWDGAFQWSA-N 1 0 226.364 1.173 10 0 BDAERO [NH3+]CC1(CCNc2ncncc2Cl)CC1 ZINC000395853835 487703638 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OMPDMYRNPOEUQS-UHFFFAOYSA-N 1 0 225.719 1.773 10 0 BDAERO CC(C)[C@@H]1[NH2+][C@]2(CCOC2)OCC1(C)C ZINC000757153821 582538971 /nfs/dbraw/zinc/53/89/71/582538971.db2.gz XWMHODICDXAPMI-CMPLNLGQSA-N 1 0 213.321 1.774 10 0 BDAERO Cc1ccoc1CS[C@@H]1COCC[C@H]1[NH3+] ZINC000757162669 582545594 /nfs/dbraw/zinc/54/55/94/582545594.db2.gz ANVWHBJZVNIUQE-MWLCHTKSSA-N 1 0 227.329 1.937 10 0 BDAERO CCc1ccc(CS[C@H](CO)[C@@H](C)[NH3+])o1 ZINC000757167281 582548663 /nfs/dbraw/zinc/54/86/63/582548663.db2.gz UGYWADBIBIVJOU-LDYMZIIASA-N 1 0 229.345 1.783 10 0 BDAERO Cc1ccoc1CS[C@@H](C)[C@@H]([NH3+])C(N)=O ZINC000757167922 582549483 /nfs/dbraw/zinc/54/94/83/582549483.db2.gz ZRHMBMJDKOTCON-IONNQARKSA-N 1 0 228.317 1.022 10 0 BDAERO CC(=O)c1cccc([C@H]2CC[NH2+]C[C@H]2N)c1 ZINC000757218011 582562254 /nfs/dbraw/zinc/56/22/54/582562254.db2.gz UQFLDSUPUKGWLX-CHWSQXEVSA-N 1 0 218.300 1.293 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000238854525 521825040 /nfs/dbraw/zinc/82/50/40/521825040.db2.gz OEQRCJNYXISDFM-AEJSXWLSSA-N 1 0 219.350 1.198 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000335594315 535690042 /nfs/dbraw/zinc/69/00/42/535690042.db2.gz ZWUBDCJJJRGLRC-GXSJLCMTSA-N 1 0 210.321 1.385 10 0 BDAERO CCn1cc(CN2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261561444 536056149 /nfs/dbraw/zinc/05/61/49/536056149.db2.gz VLWZYUDISGJWDL-LBPRGKRZSA-N 1 0 236.363 1.462 10 0 BDAERO F[C@@H]1C[NH2+]CC[C@H]1c1cnc2cc[nH]c2c1 ZINC000089221409 518195985 /nfs/dbraw/zinc/19/59/85/518195985.db2.gz KIMMHNAWPZBNKO-VHSXEESVSA-N 1 0 219.263 1.978 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+][C@@H]2C(C)(C)C1 ZINC000301054766 518819753 /nfs/dbraw/zinc/81/97/53/518819753.db2.gz JHFGTUJMJRBKRC-ZJUUUORDSA-N 1 0 240.347 1.851 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000259210019 534454625 /nfs/dbraw/zinc/45/46/25/534454625.db2.gz QJCCDQNBKRCUGG-SECBINFHSA-N 1 0 212.337 1.618 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(C(=O)OCC)n1 ZINC000095532818 520726059 /nfs/dbraw/zinc/72/60/59/520726059.db2.gz SMEKSHORTZXLCI-ZCFIWIBFSA-N 1 0 213.237 1.046 10 0 BDAERO CCC[C@H]([NH3+])c1noc(C(=O)OCC)n1 ZINC000095532817 521121972 /nfs/dbraw/zinc/12/19/72/521121972.db2.gz SMEKSHORTZXLCI-LURJTMIESA-N 1 0 213.237 1.046 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000143959166 582866809 /nfs/dbraw/zinc/86/68/09/582866809.db2.gz QRPKWKHMIUWDBI-VXGBXAGGSA-N 1 0 219.284 1.553 10 0 BDAERO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H](C)[NH3+] ZINC000011919648 525613305 /nfs/dbraw/zinc/61/33/05/525613305.db2.gz NDKQSZVGDWFKGS-QUBYGPBYSA-N 1 0 237.255 1.263 10 0 BDAERO C[NH2+]Cc1cccnc1N1CCCCC1 ZINC000051435991 536470518 /nfs/dbraw/zinc/47/05/18/536470518.db2.gz ZAYLCYJXENEDNU-UHFFFAOYSA-N 1 0 205.305 1.791 10 0 BDAERO [NH3+]CCCCCNC(=O)c1c(F)cccc1F ZINC000079867993 527174132 /nfs/dbraw/zinc/17/41/32/527174132.db2.gz RPGVSTGOPMUXBN-UHFFFAOYSA-N 1 0 242.269 1.824 10 0 BDAERO [NH3+]C[C@@H]1COc2ccc(Br)cc2N1 ZINC000062714072 527221081 /nfs/dbraw/zinc/22/10/81/527221081.db2.gz DBRLVBJFXSGMTK-SSDOTTSWSA-N 1 0 243.104 1.581 10 0 BDAERO CO[C@H](C)c1nsc(NC[C@H]2CCC[NH2+]2)n1 ZINC000261571576 536532224 /nfs/dbraw/zinc/53/22/24/536532224.db2.gz HODXGMBLKYWIOG-HTQZYQBOSA-N 1 0 242.348 1.409 10 0 BDAERO CCC(=O)CCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401498220 528288141 /nfs/dbraw/zinc/28/81/41/528288141.db2.gz MIZQVFPRIUFNCM-PWSUYJOCSA-N 1 0 213.321 1.448 10 0 BDAERO CC(C)[C@H]([NH3+])CCN(C)c1ncncc1Cl ZINC000163698406 535067421 /nfs/dbraw/zinc/06/74/21/535067421.db2.gz KCIPBHUKVMYDGB-SNVBAGLBSA-N 1 0 242.754 1.940 10 0 BDAERO CCC(CC)[C@H](O)CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000226346947 535152238 /nfs/dbraw/zinc/15/22/38/535152238.db2.gz ZHUJFEOZGOQKLT-SDDRHHMPSA-N 1 0 242.363 1.027 10 0 BDAERO CC1(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261537357 535277226 /nfs/dbraw/zinc/27/72/26/535277226.db2.gz VJIARKRXNPIKGF-SECBINFHSA-N 1 0 210.321 1.372 10 0 BDAERO CC(C)(O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253099526 535303447 /nfs/dbraw/zinc/30/34/47/535303447.db2.gz VCDJFBPVHLDLSU-YNEHKIRRSA-N 1 0 241.375 1.773 10 0 BDAERO CC1(C)CN(C(=O)Cc2ccncc2)CC[C@H]1[NH3+] ZINC000259087141 535336767 /nfs/dbraw/zinc/33/67/67/535336767.db2.gz PWSVRJKGBZUSFX-GFCCVEGCSA-N 1 0 247.342 1.210 10 0 BDAERO CC[NH2+]C1CCN(c2cc(C)ccn2)CC1 ZINC000043561263 535452182 /nfs/dbraw/zinc/45/21/82/535452182.db2.gz NOBZATJAANCQDA-UHFFFAOYSA-N 1 0 219.332 1.968 10 0 BDAERO CCOc1cccc(N2CCC(C[NH3+])CC2)n1 ZINC000104352779 535467406 /nfs/dbraw/zinc/46/74/06/535467406.db2.gz PXWMGVZYWYLRPB-UHFFFAOYSA-N 1 0 235.331 1.655 10 0 BDAERO CC[NH+](CC)CCNC(=O)N[C@@H](C)C(C)C ZINC000077826460 535536153 /nfs/dbraw/zinc/53/61/53/535536153.db2.gz ZXBJRQNDKNKLTH-NSHDSACASA-N 1 0 229.368 1.672 10 0 BDAERO CCOCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082943880 535551894 /nfs/dbraw/zinc/55/18/94/535551894.db2.gz LVRDXXFHEKRYBJ-SRVKXCTJSA-N 1 0 227.348 1.816 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccnc(C)n2)C1 ZINC000054790806 535582687 /nfs/dbraw/zinc/58/26/87/535582687.db2.gz ASHQYJFZUPCTSG-ZDUSSCGKSA-N 1 0 234.347 1.359 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CCOCCOC ZINC000175788432 535591518 /nfs/dbraw/zinc/59/15/18/535591518.db2.gz MMZAXEKTEMFJRF-ZDUSSCGKSA-N 1 0 244.379 1.066 10 0 BDAERO CCOc1cc(N[C@@H](C)CC[NH3+])ncn1 ZINC000134271459 535686139 /nfs/dbraw/zinc/68/61/39/535686139.db2.gz KUSNLRBIFOVUNH-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BDAERO CC[NH+]1CCN(c2cccc(F)c2N)CC1 ZINC000037419036 535751053 /nfs/dbraw/zinc/75/10/53/535751053.db2.gz IIONQTWXOUPYBF-UHFFFAOYSA-N 1 0 223.295 1.550 10 0 BDAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](C)C(=O)OC ZINC000251852578 535842973 /nfs/dbraw/zinc/84/29/73/535842973.db2.gz RXWWUHKEKLIGCU-GARJFASQSA-N 1 0 229.320 1.295 10 0 BDAERO CCc1nnc(C[N@H+]2CC[C@H](C)[C@H]2CC)n1C ZINC000249464933 535845994 /nfs/dbraw/zinc/84/59/94/535845994.db2.gz SCIBWJOVYIJIQF-WDEREUQCSA-N 1 0 236.363 1.998 10 0 BDAERO CCc1nnc(C[N@H+]2CC[C@@H](C)[C@H]2CC)n1C ZINC000249464932 535846232 /nfs/dbraw/zinc/84/62/32/535846232.db2.gz SCIBWJOVYIJIQF-GHMZBOCLSA-N 1 0 236.363 1.998 10 0 BDAERO CC[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)C(C)C ZINC000087046903 535852538 /nfs/dbraw/zinc/85/25/38/535852538.db2.gz KHQBAELUQHYCNZ-OUAUKWLOSA-N 1 0 228.336 1.044 10 0 BDAERO C[NH+](C)CCN1CCCc2ccc(N)cc21 ZINC000019779419 535874154 /nfs/dbraw/zinc/87/41/54/535874154.db2.gz RRKABDMTBHJMQZ-UHFFFAOYSA-N 1 0 219.332 1.583 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1C ZINC000253548279 535874741 /nfs/dbraw/zinc/87/47/41/535874741.db2.gz FSZBAQAXUSXVDZ-FDYHWXHSSA-N 1 0 236.359 1.728 10 0 BDAERO CCc1noc(C)c1C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000335375929 535876608 /nfs/dbraw/zinc/87/66/08/535876608.db2.gz MVASSDFXCHFIKI-RNCFNFMXSA-N 1 0 238.331 1.891 10 0 BDAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262557587 535891603 /nfs/dbraw/zinc/89/16/03/535891603.db2.gz PUUAXERQFFWOHB-HOSYDEDBSA-N 1 0 224.348 1.489 10 0 BDAERO CCc1nsc(N2CC[C@@H](C)C[C@H]2C[NH3+])n1 ZINC000261535451 535911709 /nfs/dbraw/zinc/91/17/09/535911709.db2.gz ZBFROFDEZBDJQI-BDAKNGLRSA-N 1 0 240.376 1.664 10 0 BDAERO CC[C@H](C)[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248612871 535926513 /nfs/dbraw/zinc/92/65/13/535926513.db2.gz WOGRBHVQOJSAGQ-AVGNSLFASA-N 1 0 238.375 1.975 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000249095517 536004186 /nfs/dbraw/zinc/00/41/86/536004186.db2.gz IHRRZDZWAXUNJG-QWHCGFSZSA-N 1 0 237.347 1.718 10 0 BDAERO CCc1nc([C@@H](C)NC(=O)C2C[NH2+]C2)cs1 ZINC000263304952 536148218 /nfs/dbraw/zinc/14/82/18/536148218.db2.gz ODBUPLWUCBOMGI-SSDOTTSWSA-N 1 0 239.344 1.102 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cc2c(s1)CCC2 ZINC000261594488 536342532 /nfs/dbraw/zinc/34/25/32/536342532.db2.gz XPNZPJJFSWKWJS-QMMMGPOBSA-N 1 0 238.356 1.575 10 0 BDAERO C[NH2+][C@H](C)CNCc1sc(C)nc1C ZINC000261530227 536402082 /nfs/dbraw/zinc/40/20/82/536402082.db2.gz YIEZEGUKMAGAKY-SSDOTTSWSA-N 1 0 213.350 1.457 10 0 BDAERO CN(CCc1ccncc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085365273 536412011 /nfs/dbraw/zinc/41/20/11/536412011.db2.gz AHFKMESHMCXNAG-CHWSQXEVSA-N 1 0 247.342 1.210 10 0 BDAERO COC[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2O)C1 ZINC000229971598 536760598 /nfs/dbraw/zinc/76/05/98/536760598.db2.gz IVGIBHSZZCCLMF-UPJWGTAASA-N 1 0 227.348 1.648 10 0 BDAERO COCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037186432 536894146 /nfs/dbraw/zinc/89/41/46/536894146.db2.gz HFDUDILWXTWHHS-LLVKDONJSA-N 1 0 234.299 1.330 10 0 BDAERO COc1cccc2c1CC[C@@H]2NC(=O)C1C[NH2+]C1 ZINC000263346568 536944609 /nfs/dbraw/zinc/94/46/09/536944609.db2.gz ZEHLKRCMILORNZ-LBPRGKRZSA-N 1 0 246.310 1.018 10 0 BDAERO O=C1[C@H]([C@H]2CCC[NH2+]2)COC12CCCC2 ZINC000725257049 538059949 /nfs/dbraw/zinc/05/99/49/538059949.db2.gz HAXNPRWBMFEZFE-VHSXEESVSA-N 1 0 209.289 1.267 10 0 BDAERO Cn1nccc1-c1c(C[NH3+])nnn1C1CCCC1 ZINC000725257187 538061048 /nfs/dbraw/zinc/06/10/48/538061048.db2.gz IIMTZTBDUOMDSF-UHFFFAOYSA-N 1 0 246.318 1.252 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000725263124 538089311 /nfs/dbraw/zinc/08/93/11/538089311.db2.gz PIMPVDZKKYMZQX-LOWVWBTDSA-N 1 0 239.363 1.554 10 0 BDAERO Clc1c[nH]c(=NCC[NH2+]C2CC2)s1 ZINC000379377968 566443828 /nfs/dbraw/zinc/44/38/28/566443828.db2.gz ZORRATDRPLVGNL-UHFFFAOYSA-N 1 0 217.725 1.382 10 0 BDAERO Cc1nc(C(=O)C2(C)CC2)sc1CC[NH3+] ZINC000757123028 582498470 /nfs/dbraw/zinc/49/84/70/582498470.db2.gz IDMYLUZMCHFRME-UHFFFAOYSA-N 1 0 224.329 1.936 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@]12CCCN2CC(F)F ZINC000757125502 582500562 /nfs/dbraw/zinc/50/05/62/582500562.db2.gz DXAGCRISPUIYPV-MWLCHTKSSA-N 1 0 218.291 1.858 10 0 BDAERO COC[C@H](C)N1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757126747 582501290 /nfs/dbraw/zinc/50/12/90/582501290.db2.gz GWNGOZZFTJLWPD-RWMBFGLXSA-N 1 0 226.364 1.628 10 0 BDAERO Cc1nc(C(=O)C2CC2)sc1CC[NH3+] ZINC000757127362 582502457 /nfs/dbraw/zinc/50/24/57/582502457.db2.gz YTJVICNMKDWKDW-UHFFFAOYSA-N 1 0 210.302 1.545 10 0 BDAERO C[NH+](C)CCN1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129608 582503861 /nfs/dbraw/zinc/50/38/61/582503861.db2.gz MLLAHOHGRLCZAN-AWEZNQCLSA-N 1 0 237.391 1.108 10 0 BDAERO C[NH2+]Cc1sc([C@H](O)C(C)(C)F)nc1C ZINC000757134469 582511616 /nfs/dbraw/zinc/51/16/16/582511616.db2.gz YILUQMZEEUPEIT-QMMMGPOBSA-N 1 0 232.324 1.952 10 0 BDAERO COCCN1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757135076 582513915 /nfs/dbraw/zinc/51/39/15/582513915.db2.gz YHBSAJRLOCZWMT-NWDGAFQWSA-N 1 0 212.337 1.097 10 0 BDAERO C[C@H]1[NH2+][C@]2(CCCSC2)OCC12CC2 ZINC000757138313 582517173 /nfs/dbraw/zinc/51/71/73/582517173.db2.gz BHRHVFUBAGKTID-MWLCHTKSSA-N 1 0 213.346 1.998 10 0 BDAERO C1CC1[C@@H]1CCO[C@]2(CCCOCC2)[NH2+]1 ZINC000757138218 582517284 /nfs/dbraw/zinc/51/72/84/582517284.db2.gz BDYAFPCEVRJXKR-RYUDHWBXSA-N 1 0 211.305 1.672 10 0 BDAERO COC(=O)[C@@H]1[C@@H](C)c2ccccc2[C@@H]1[NH3+] ZINC000757139092 582519174 /nfs/dbraw/zinc/51/91/74/582519174.db2.gz DBUMQIFYSCNHKK-XROYCOCOSA-N 1 0 205.257 1.593 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)[NH2+]CCCO2 ZINC000757139592 582519711 /nfs/dbraw/zinc/51/97/11/582519711.db2.gz GXYJPXWOFNKDJR-GFCCVEGCSA-N 1 0 242.319 1.333 10 0 BDAERO CN1CC[C@@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757143642 582523901 /nfs/dbraw/zinc/52/39/01/582523901.db2.gz MGHKNPJHJCJYNT-GFCCVEGCSA-N 1 0 212.337 1.443 10 0 BDAERO CC(C)(C)[C@@H]1CN[C@]2(CCC[NH2+]C2)OC1 ZINC000757143766 582524193 /nfs/dbraw/zinc/52/41/93/582524193.db2.gz FFJZRDSTNKTANX-ZYHUDNBSSA-N 1 0 212.337 1.348 10 0 BDAERO CC1(C)CC[C@@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757144439 582525969 /nfs/dbraw/zinc/52/59/69/582525969.db2.gz OBMBRCJBVMCBKK-GFCCVEGCSA-N 1 0 211.305 1.529 10 0 BDAERO CC(C)[C@@H]1O[C@]2(CCC[NH2+]C2)NCC1(C)C ZINC000757145277 582527565 /nfs/dbraw/zinc/52/75/65/582527565.db2.gz IERBJOLQBYHZGM-AAEUAGOBSA-N 1 0 226.364 1.737 10 0 BDAERO CC1(C)CCC[C@H](CN2CC[C@@H]2C[NH3+])O1 ZINC000757145505 582528062 /nfs/dbraw/zinc/52/80/62/582528062.db2.gz MUUHQTRUBOSGAX-GHMZBOCLSA-N 1 0 212.337 1.367 10 0 BDAERO C[C@H]1CCC[C@@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757145125 582528085 /nfs/dbraw/zinc/52/80/85/582528085.db2.gz PWPMBOOKOIMXPL-CMPLNLGQSA-N 1 0 211.305 1.529 10 0 BDAERO C1CC1[C@@H]1CC[NH2+]C2(CCSCC2)O1 ZINC000757146724 582530557 /nfs/dbraw/zinc/53/05/57/582530557.db2.gz LDVXLVLVHFNPPT-JTQLQIEISA-N 1 0 213.346 1.998 10 0 BDAERO CCC[C@@H]([NH3+])CS(=O)(=O)N(CC)CCC ZINC000757147063 582530874 /nfs/dbraw/zinc/53/08/74/582530874.db2.gz ACGIPCBGKIVFEH-SNVBAGLBSA-N 1 0 236.381 1.176 10 0 BDAERO C[NH+]1CCC2(CC1)N[C@@H](c1ccco1)CCO2 ZINC000757151349 582535527 /nfs/dbraw/zinc/53/55/27/582535527.db2.gz QKEGDSQGSWHGLJ-LLVKDONJSA-N 1 0 236.315 1.753 10 0 BDAERO CCCC[C@@H]([NH3+])CS(=O)(=O)N(CC)CC ZINC000757153992 582538816 /nfs/dbraw/zinc/53/88/16/582538816.db2.gz TZIRQPQXQHLCHV-SNVBAGLBSA-N 1 0 236.381 1.176 10 0 BDAERO CC(C)[C@H]1[NH2+][C@]2(CCOC2)OCC1(C)C ZINC000757153826 582538846 /nfs/dbraw/zinc/53/88/46/582538846.db2.gz XWMHODICDXAPMI-ZYHUDNBSSA-N 1 0 213.321 1.774 10 0 BDAERO CCc1ccc(CS[C@H]2C[NH2+]C[C@@H]2O)o1 ZINC000757164442 582546223 /nfs/dbraw/zinc/54/62/23/582546223.db2.gz GXDIHOKEJMSAPU-QWRGUYRKSA-N 1 0 227.329 1.408 10 0 BDAERO C[C@H](SCc1ccc(Cl)o1)[C@H]([NH3+])C(N)=O ZINC000757171674 582551450 /nfs/dbraw/zinc/55/14/50/582551450.db2.gz VIXANZLJIZANII-XNCJUZBTSA-N 1 0 248.735 1.367 10 0 BDAERO Cc1ccc(F)c2c1[C@@H](C[NH3+])CC(=O)N2 ZINC000757175215 582551704 /nfs/dbraw/zinc/55/17/04/582551704.db2.gz BGWBTKHNYHSDTC-SSDOTTSWSA-N 1 0 208.236 1.519 10 0 BDAERO [NH3+]C[C@H]1CC(=O)Nc2c(F)cc(Cl)cc21 ZINC000757175377 582552001 /nfs/dbraw/zinc/55/20/01/582552001.db2.gz GJTSNXYGHYGKQA-RXMQYKEDSA-N 1 0 228.654 1.864 10 0 BDAERO [NH3+]C[C@H]1CC(=O)Nc2cc(F)c(Cl)cc21 ZINC000757175936 582553107 /nfs/dbraw/zinc/55/31/07/582553107.db2.gz NNFGBCDWOODQRY-RXMQYKEDSA-N 1 0 228.654 1.864 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(N)c1 ZINC000757185486 582554369 /nfs/dbraw/zinc/55/43/69/582554369.db2.gz VYMACDLAMYSHDV-RYUDHWBXSA-N 1 0 234.299 1.135 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1N ZINC000757185111 582554722 /nfs/dbraw/zinc/55/47/22/582554722.db2.gz RRORZSMMDLQWIX-GHMZBOCLSA-N 1 0 234.299 1.135 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1N ZINC000757185117 582554774 /nfs/dbraw/zinc/55/47/74/582554774.db2.gz RRORZSMMDLQWIX-WDEREUQCSA-N 1 0 234.299 1.135 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1cccnc1 ZINC000757190248 582556048 /nfs/dbraw/zinc/55/60/48/582556048.db2.gz QHEYPYKRFOLBLU-RYUDHWBXSA-N 1 0 248.326 1.726 10 0 BDAERO [NH3+]CC[C@H]1CC[C@@H](c2ccc(C(=O)[O-])cc2)[NH2+]C1 ZINC000757209822 582560298 /nfs/dbraw/zinc/56/02/98/582560298.db2.gz CTUMLHJVVLEYHW-MFKMUULPSA-N 1 0 248.326 1.774 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN[C@@H]1c1ccc(C=O)s1 ZINC000757218647 582562619 /nfs/dbraw/zinc/56/26/19/582562619.db2.gz VOZGDPVFICZDQJ-XLDPMVHQSA-N 1 0 224.329 1.558 10 0 BDAERO C[C@H]1C[NH+]=C(N)N[C@@H]1c1ccccc1F ZINC000235568383 582594086 /nfs/dbraw/zinc/59/40/86/582594086.db2.gz BEDQDSGVWKPQQA-XVKPBYJWSA-N 1 0 207.252 1.421 10 0 BDAERO C[C@H]1C[NH+]=C(N)N[C@H]1c1ccccc1F ZINC000235568400 582594378 /nfs/dbraw/zinc/59/43/78/582594378.db2.gz BEDQDSGVWKPQQA-OIBJUYFYSA-N 1 0 207.252 1.421 10 0 BDAERO Cc1cn2c([nH+]1)N[C@@H]([C@H]1CCOC1)CC2 ZINC000236044549 582636928 /nfs/dbraw/zinc/63/69/28/582636928.db2.gz YVVDXEXZHSBZBE-VHSXEESVSA-N 1 0 207.277 1.412 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@@H]2c1ccncc1 ZINC000236045896 582637429 /nfs/dbraw/zinc/63/74/29/582637429.db2.gz GGLKSBDTQKLZFZ-LLVKDONJSA-N 1 0 214.272 1.992 10 0 BDAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@@H]1CCOC1 ZINC000306555992 582653101 /nfs/dbraw/zinc/65/31/01/582653101.db2.gz FQTHGNKANUMURE-LDYMZIIASA-N 1 0 209.314 1.971 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C(N)=O ZINC000107323102 582805422 /nfs/dbraw/zinc/80/54/22/582805422.db2.gz XLBCMIRNUUKIPP-LLVKDONJSA-N 1 0 242.269 1.564 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H](C)CCCOC)C1 ZINC000395429078 583057651 /nfs/dbraw/zinc/05/76/51/583057651.db2.gz YKXYLOICMKPTAB-OLZOCXBDSA-N 1 0 244.379 1.112 10 0 BDAERO CC[C@@H]1CN(C[C@@H]2CC[NH2+]2)C[C@H](CC)O1 ZINC000398624603 583156179 /nfs/dbraw/zinc/15/61/79/583156179.db2.gz IKIUAOKHSKXRNC-SDDRHHMPSA-N 1 0 212.337 1.238 10 0 BDAERO OCCN1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000398972193 583168790 /nfs/dbraw/zinc/16/87/90/583168790.db2.gz WZYZWMQZEGMFJQ-UHFFFAOYSA-N 1 0 238.375 1.221 10 0 BDAERO C[NH2+][C@H]1CCCN(c2ncnc3onc(C)c32)C1 ZINC000071194731 583209493 /nfs/dbraw/zinc/20/94/93/583209493.db2.gz YGWTXASUYOBCQP-VIFPVBQESA-N 1 0 247.302 1.114 10 0 BDAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2c2cccnc2)N1 ZINC000235434608 583209578 /nfs/dbraw/zinc/20/95/78/583209578.db2.gz YVZRKXZMJVZWRT-MWLCHTKSSA-N 1 0 216.288 1.176 10 0 BDAERO C[NH2+]CCc1noc([C@@H](C)CSC)n1 ZINC000300774809 585619860 /nfs/dbraw/zinc/61/98/60/585619860.db2.gz KZKBTZPSQHOGIL-ZETCQYMHSA-N 1 0 215.322 1.298 10 0 BDAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]CC1(COC1)CO2 ZINC000757150048 586428833 /nfs/dbraw/zinc/42/88/33/586428833.db2.gz XHVYBVRFKMUYHE-GHMZBOCLSA-N 1 0 225.332 1.775 10 0 BDAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])CC(C)C 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ZINC000757188918 586435190 /nfs/dbraw/zinc/43/51/90/586435190.db2.gz KZFQVCJTHOYHSC-ZJUUUORDSA-N 1 0 225.313 1.614 10 0 BDAERO CCOC(=O)/C=C1/CC[N@@H+]2CCC[C@H]2C1 ZINC000757189124 586435239 /nfs/dbraw/zinc/43/52/39/586435239.db2.gz FHMCWLLCFZOEPS-JUDLJHIGSA-N 1 0 209.289 1.734 10 0 BDAERO NC[C@@H]1CC[C@H](c2ccc(C=O)s2)C[NH2+]1 ZINC000757211647 586437115 /nfs/dbraw/zinc/43/71/15/586437115.db2.gz HZLOBHZNLCJRHN-IUCAKERBSA-N 1 0 224.329 1.355 10 0 BDAERO CC(=O)c1ccc([C@@H]2NCCC[C@H]2[NH3+])cc1 ZINC000757211006 586437402 /nfs/dbraw/zinc/43/74/02/586437402.db2.gz FFSUSPLQSQMTOG-OLZOCXBDSA-N 1 0 218.300 1.641 10 0 BDAERO C[C@@H]1CCN[C@H](c2ccc(C=O)s2)[C@H]1[NH3+] ZINC000757207244 586437669 /nfs/dbraw/zinc/43/76/69/586437669.db2.gz BHDRYEKVERJLIK-PPKCKEKNSA-N 1 0 224.329 1.558 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)c1 ZINC000757208348 586437817 /nfs/dbraw/zinc/43/78/17/586437817.db2.gz CKAVDYKJYUEQNN-RYUDHWBXSA-N 1 0 234.299 1.413 10 0 BDAERO CC(=O)c1ccc([C@@H]2NCC[C@H](C)[C@@H]2[NH3+])cc1 ZINC000757215899 586440764 /nfs/dbraw/zinc/44/07/64/586440764.db2.gz NZWDGFVQESJCOR-HERUPUMHSA-N 1 0 232.327 1.887 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2CC[NH2+][C@H](C(=O)[O-])C2)cc1 ZINC000757217191 586441229 /nfs/dbraw/zinc/44/12/29/586441229.db2.gz RNZJSRUNTHKBEQ-NEPJUHHUSA-N 1 0 234.299 1.066 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN[C@@H]1c1cnn(C(C)(C)C)c1 ZINC000757229318 586442668 /nfs/dbraw/zinc/44/26/68/586442668.db2.gz DPEMLNDRVLDJIO-USWWRNFRSA-N 1 0 236.363 1.636 10 0 BDAERO CC(C)(C)n1cc([C@@H]2CC[C@@H]([NH3+])CN2)cn1 ZINC000757231110 586443287 /nfs/dbraw/zinc/44/32/87/586443287.db2.gz GKBLHDPJTVFYOQ-MNOVXSKESA-N 1 0 222.336 1.390 10 0 BDAERO Cc1ccc(N)cc1[C@H]1CC[C@H](CN)[NH2+]C1 ZINC000757229609 586443305 /nfs/dbraw/zinc/44/33/05/586443305.db2.gz FBHWSTKNSIIFRQ-CMPLNLGQSA-N 1 0 219.332 1.372 10 0 BDAERO Cc1ccc(N)cc1[C@H]1CC[C@@H](CN)[NH2+]C1 ZINC000757229622 586443377 /nfs/dbraw/zinc/44/33/77/586443377.db2.gz FBHWSTKNSIIFRQ-JQWIXIFHSA-N 1 0 219.332 1.372 10 0 BDAERO C[N@@H+]1CCCN(c2nc3cccnc3[nH]2)CC1 ZINC000757570237 586462626 /nfs/dbraw/zinc/46/26/26/586462626.db2.gz VRMHZMVORGUCOY-UHFFFAOYSA-N 1 0 231.303 1.100 10 0 BDAERO CC[C@@H]1CN(C/C=C/Cl)CC[N@@H+]1CCOC ZINC000105914713 588229395 /nfs/dbraw/zinc/22/93/95/588229395.db2.gz FCTZDJYADXHCKD-ZYOFXKKJSA-N 1 0 246.782 1.782 10 0 BDAERO C[C@H]1CN(C(=O)N2CCCCC2)C[C@H]1[NH+](C)C ZINC000123131558 589665408 /nfs/dbraw/zinc/66/54/08/589665408.db2.gz YCBIOWFFZHIIEQ-NWDGAFQWSA-N 1 0 239.363 1.474 10 0 BDAERO [NH3+][C@@H](CCO)c1c(F)cccc1Cl ZINC000019784052 589978874 /nfs/dbraw/zinc/97/88/74/589978874.db2.gz ZFOTYJZQQJZTLY-QMMMGPOBSA-N 1 0 203.644 1.861 10 0 BDAERO CC(C)[C@H](C)NC(=O)CCCCC[NH3+] ZINC000020523503 590118526 /nfs/dbraw/zinc/11/85/26/590118526.db2.gz DMKOPWWEBSUKBV-JTQLQIEISA-N 1 0 200.326 1.666 10 0 BDAERO C(c1noc([C@H]2CCC[NH2+]C2)n1)[C@H]1CCCO1 ZINC000021503430 590192129 /nfs/dbraw/zinc/19/21/29/590192129.db2.gz PAENISICLCDPSR-VHSXEESVSA-N 1 0 237.303 1.258 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1cncc(Cl)n1 ZINC000126470467 590314619 /nfs/dbraw/zinc/31/46/19/590314619.db2.gz SNVDQKUBCHDUDL-MRVPVSSYSA-N 1 0 226.711 1.448 10 0 BDAERO CC[C@H]([NH3+])CNc1cncc(Cl)n1 ZINC000126485177 590320147 /nfs/dbraw/zinc/32/01/47/590320147.db2.gz GITSLGDASHIJEL-LURJTMIESA-N 1 0 200.673 1.279 10 0 BDAERO CCNC(=S)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000128940411 591191717 /nfs/dbraw/zinc/19/17/17/591191717.db2.gz XOZQKLMMPALHMV-SNVBAGLBSA-N 1 0 229.393 1.297 10 0 BDAERO C[C@H]1COCCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211937841 591277985 /nfs/dbraw/zinc/27/79/85/591277985.db2.gz OFHRJYUEWIQJPL-LBPRGKRZSA-N 1 0 246.354 1.553 10 0 BDAERO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000129892940 591418619 /nfs/dbraw/zinc/41/86/19/591418619.db2.gz DQNXRFLXCWEKON-CABZTGNLSA-N 1 0 224.348 1.809 10 0 BDAERO CCCNC(=S)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000130400365 591462896 /nfs/dbraw/zinc/46/28/96/591462896.db2.gz KOSYGZYUGHOTFV-NXEZZACHSA-N 1 0 229.393 1.153 10 0 BDAERO CCONC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000133183368 591776199 /nfs/dbraw/zinc/77/61/99/591776199.db2.gz UQTXMAXTHRBYMB-LLVKDONJSA-N 1 0 243.351 1.358 10 0 BDAERO [NH3+]CCCCCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300340230 592506871 /nfs/dbraw/zinc/50/68/71/592506871.db2.gz YDKHKBMZVNJFJT-ZSBIGDGJSA-N 1 0 224.348 1.668 10 0 BDAERO Cn1c(Cl)cnc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000301044834 592527444 /nfs/dbraw/zinc/52/74/44/592527444.db2.gz XTXCHXVWXPPMMT-IUCAKERBSA-N 1 0 243.738 1.467 10 0 BDAERO C([C@H]1CCC[NH2+]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000299911558 634399224 /nfs/dbraw/zinc/39/92/24/634399224.db2.gz NVBGWDLYLMMBEU-UPJWGTAASA-N 1 0 224.348 1.382 10 0 BDAERO OCCCCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226838026 635443945 /nfs/dbraw/zinc/44/39/45/635443945.db2.gz YVCSMXMOOAJACX-CYBMUJFWSA-N 1 0 226.364 1.319 10 0 BDAERO CC1(C)C[C@@H]1c1noc(C[C@@H]2CC[NH2+]C2)n1 ZINC000232883305 635517099 /nfs/dbraw/zinc/51/70/99/635517099.db2.gz SUNDOXNMZZCOPS-DTWKUNHWSA-N 1 0 221.304 1.735 10 0 BDAERO O[C@@H]1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000236548968 635601331 /nfs/dbraw/zinc/60/13/31/635601331.db2.gz WBDBFSPLCBSIPZ-UONOGXRCSA-N 1 0 219.328 1.980 10 0 BDAERO O[C@H]1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000236576694 635601603 /nfs/dbraw/zinc/60/16/03/635601603.db2.gz WBDBFSPLCBSIPZ-KBPBESRZSA-N 1 0 219.328 1.980 10 0 BDAERO CCC[C@H](O)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308345711 631296082 /nfs/dbraw/zinc/29/60/82/631296082.db2.gz OMRIFUDBKGDIAK-SDDRHHMPSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cccnc1Cl ZINC000308473633 631355956 /nfs/dbraw/zinc/35/59/56/631355956.db2.gz AHSYDQLCYXNIEJ-JGVFFNPUSA-N 1 0 214.696 1.594 10 0 BDAERO CC(C)(C)Cc1noc([C@]2(C)CC[NH2+]C2)n1 ZINC000082673299 631409806 /nfs/dbraw/zinc/40/98/06/631409806.db2.gz ZTVLHJFGMHUWKE-GFCCVEGCSA-N 1 0 223.320 1.909 10 0 BDAERO CC(C)(C)SCCn1cc(C[NH3+])nn1 ZINC000308556143 631425586 /nfs/dbraw/zinc/42/55/86/631425586.db2.gz SJOIVSWWVPHGLY-UHFFFAOYSA-N 1 0 214.338 1.269 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ncnc2c1CCC2 ZINC000089092202 631497877 /nfs/dbraw/zinc/49/78/77/631497877.db2.gz XLPNPFTYJYIGPM-MWLCHTKSSA-N 1 0 232.331 1.505 10 0 BDAERO C[NH2+]CCc1noc([C@H](C)c2ccccc2)n1 ZINC000234389544 631501954 /nfs/dbraw/zinc/50/19/54/631501954.db2.gz BTCYCWSYESNJMZ-SNVBAGLBSA-N 1 0 231.299 1.983 10 0 BDAERO [NH3+]C1(CC(=O)N[C@@H]2COc3ccccc32)CCC1 ZINC000094295514 631576212 /nfs/dbraw/zinc/57/62/12/631576212.db2.gz MLWBSJFISCMLGE-LLVKDONJSA-N 1 0 246.310 1.508 10 0 BDAERO C[NH2+]CCc1noc(CSC(C)C)n1 ZINC000308882936 631717216 /nfs/dbraw/zinc/71/72/16/631717216.db2.gz REIPRDQPPJVSDY-UHFFFAOYSA-N 1 0 215.322 1.473 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000308973082 631769909 /nfs/dbraw/zinc/76/99/09/631769909.db2.gz BAHXBWZOTVXYCN-VWYCJHECSA-N 1 0 212.337 1.678 10 0 BDAERO Cc1cc(C[NH2+][C@H](C)[C@@H](C)O)cnc1Cl ZINC000309029335 631804571 /nfs/dbraw/zinc/80/45/71/631804571.db2.gz CPPUPYHDHDTAPB-RKDXNWHRSA-N 1 0 228.723 1.902 10 0 BDAERO CC[NH2+]CC(=O)N[C@H](CC)c1ccccc1 ZINC000051628353 631821360 /nfs/dbraw/zinc/82/13/60/631821360.db2.gz MEFSTNSGXCIHNC-GFCCVEGCSA-N 1 0 220.316 1.863 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@@H]2C)C1 ZINC000309040365 631823509 /nfs/dbraw/zinc/82/35/09/631823509.db2.gz JJZGQDJTUPCNHA-QJPTWQEYSA-N 1 0 212.337 1.095 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2c(F)cccc2F)C1 ZINC000091524283 632049597 /nfs/dbraw/zinc/04/95/97/632049597.db2.gz CTJHAOLASZQQTN-UHFFFAOYSA-N 1 0 240.253 1.432 10 0 BDAERO [NH2+]=C(NCC[C@H]1CCCO1)NC1CCCC1 ZINC000052047794 632055863 /nfs/dbraw/zinc/05/58/63/632055863.db2.gz QXRAJEAJEQBZGX-LLVKDONJSA-N 1 0 225.336 1.612 10 0 BDAERO CC[C@H](NC(=O)[C@H]([NH3+])CC1CC1)C(C)C ZINC000308894877 632103124 /nfs/dbraw/zinc/10/31/24/632103124.db2.gz ZBNQTTGBCPAZGZ-MNOVXSKESA-N 1 0 212.337 1.665 10 0 BDAERO COc1ccccc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000054158731 635775741 /nfs/dbraw/zinc/77/57/41/635775741.db2.gz BBPBCZXWLSTBHY-QMMMGPOBSA-N 1 0 233.271 1.807 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1nnc(C(F)(F)F)s1 ZINC000168118507 632414003 /nfs/dbraw/zinc/41/40/03/632414003.db2.gz KVVIEONEPAUSEM-SCSAIBSYSA-N 1 0 240.254 1.340 10 0 BDAERO CCC(CC)Cc1nc(CC[NH2+]C)no1 ZINC000309518682 632433258 /nfs/dbraw/zinc/43/32/58/632433258.db2.gz SPALHXUSFANQNR-UHFFFAOYSA-N 1 0 211.309 1.810 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@]1(C[NH3+])OCCO ZINC000235264209 632592053 /nfs/dbraw/zinc/59/20/53/632592053.db2.gz FPRVMXVFRZPSDE-KOLCDFICSA-N 1 0 201.310 1.149 10 0 BDAERO C[C@@H]1CCC[C@](C[NH3+])(OCCO)CC1 ZINC000235281135 632604948 /nfs/dbraw/zinc/60/49/48/632604948.db2.gz SDCADYIUKFRFTO-MNOVXSKESA-N 1 0 201.310 1.293 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000309818600 632673343 /nfs/dbraw/zinc/67/33/43/632673343.db2.gz VVOCTXKIHDRKSY-ONGXEEELSA-N 1 0 238.356 1.547 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000309957100 632686589 /nfs/dbraw/zinc/68/65/89/632686589.db2.gz IWSJGXRPZAGEQA-IUCAKERBSA-N 1 0 219.288 1.422 10 0 BDAERO Cc1cc(C[NH2+][C@H](C)[C@H](C)O)cc(C)c1O ZINC000309972096 632688534 /nfs/dbraw/zinc/68/85/34/632688534.db2.gz QADVNJFMLUDHKS-MNOVXSKESA-N 1 0 223.316 1.868 10 0 BDAERO CC[C@H](O)C[NH+]1CCN(C/C=C\Cl)CC1 ZINC000255828584 632742705 /nfs/dbraw/zinc/74/27/05/632742705.db2.gz VXRSVPKCQNYOPJ-BYCRGOAPSA-N 1 0 232.755 1.127 10 0 BDAERO [NH3+]Cc1cc(-c2nc(CC3CCC3)no2)ccn1 ZINC000310659050 632853980 /nfs/dbraw/zinc/85/39/80/632853980.db2.gz CXNVSGJTMQNRQB-UHFFFAOYSA-N 1 0 244.298 1.933 10 0 BDAERO O[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000236533333 632962384 /nfs/dbraw/zinc/96/23/84/632962384.db2.gz WBDBFSPLCBSIPZ-ZIAGYGMSSA-N 1 0 219.328 1.980 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)CN1CCCCC1 ZINC000309402666 633017956 /nfs/dbraw/zinc/01/79/56/633017956.db2.gz JHBQYCSCXGZYJV-FRRDWIJNSA-N 1 0 226.364 1.221 10 0 BDAERO Cc1cc(F)ccc1-c1cnn(CC[NH3+])c1 ZINC000309421461 633048090 /nfs/dbraw/zinc/04/80/90/633048090.db2.gz KHVUUWIYAAROQO-UHFFFAOYSA-N 1 0 219.263 1.956 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(F)ccc1F ZINC000166472527 633113991 /nfs/dbraw/zinc/11/39/91/633113991.db2.gz BQCICQPTCNJRBK-VHSXEESVSA-N 1 0 241.237 1.441 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)c(C)c1 ZINC000166504205 633114999 /nfs/dbraw/zinc/11/49/99/633114999.db2.gz DTVZAOWRBBFCHK-STQMWFEESA-N 1 0 233.311 1.779 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(C)c1C ZINC000166505093 633115588 /nfs/dbraw/zinc/11/55/88/633115588.db2.gz HLZYAAOPKQCYNB-STQMWFEESA-N 1 0 233.311 1.779 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000166588779 633116621 /nfs/dbraw/zinc/11/66/21/633116621.db2.gz DOMNZAIFOUDPJR-NWDGAFQWSA-N 1 0 237.274 1.692 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCc1ccccc12 ZINC000166586040 633117912 /nfs/dbraw/zinc/11/79/12/633117912.db2.gz YPDVGCMYZTUYEG-DZGCQCFKSA-N 1 0 245.322 1.653 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1C ZINC000166615563 633119705 /nfs/dbraw/zinc/11/97/05/633119705.db2.gz GPEYFCSFEXWRCC-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(C)c1 ZINC000166615108 633119778 /nfs/dbraw/zinc/11/97/78/633119778.db2.gz JHIPIHFHCQEHKS-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO CC[C@H](C)c1noc([C@]2(F)CC[NH2+]C2)n1 ZINC000309483376 633161556 /nfs/dbraw/zinc/16/15/56/633161556.db2.gz FJKARYVCUGDZJP-XVKPBYJWSA-N 1 0 213.256 1.741 10 0 BDAERO OC[C@@H]([NH2+]C[C@H]1Cc2ccccc21)C1CC1 ZINC000309563753 633201398 /nfs/dbraw/zinc/20/13/98/633201398.db2.gz KEVOYHOFBHQFCW-TZMCWYRMSA-N 1 0 217.312 1.687 10 0 BDAERO C[C@@H]([NH2+]Cc1cnc(Cl)cn1)[C@H]1CCCO1 ZINC000309740976 633235141 /nfs/dbraw/zinc/23/51/41/633235141.db2.gz DHHQKIBDYWNHBP-PSASIEDQSA-N 1 0 241.722 1.787 10 0 BDAERO CCc1nc(C)cc(NCC2CC([NH3+])C2)n1 ZINC000304276842 635938750 /nfs/dbraw/zinc/93/87/50/635938750.db2.gz DNZGLADMPYPVSQ-UHFFFAOYSA-N 1 0 220.320 1.497 10 0 BDAERO CN(CC[NH3+])c1nc2ccc(F)cc2s1 ZINC000212629352 636106279 /nfs/dbraw/zinc/10/62/79/636106279.db2.gz KAFLYCFNLXMNFF-UHFFFAOYSA-N 1 0 225.292 1.830 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000309817227 633781482 /nfs/dbraw/zinc/78/14/82/633781482.db2.gz BTPLELZWINISGV-JGVFFNPUSA-N 1 0 233.262 1.007 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000309951504 633972013 /nfs/dbraw/zinc/97/20/13/633972013.db2.gz GHEZWPLDUKUGOU-RNFRBKRXSA-N 1 0 233.262 1.217 10 0 BDAERO COC1CC([NH2+][C@H](C)c2cc(C)nn2C)C1 ZINC000309634252 633978029 /nfs/dbraw/zinc/97/80/29/633978029.db2.gz IWWUQYJLYKGQNK-KPPDAEKUSA-N 1 0 223.320 1.557 10 0 BDAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@H](C)O ZINC000309974190 634008180 /nfs/dbraw/zinc/00/81/80/634008180.db2.gz RMHGVYSWPSEKOU-BBBLOLIVSA-N 1 0 230.352 1.039 10 0 BDAERO c1cnc(-c2noc(CC[C@H]3CCC[NH2+]3)n2)nc1 ZINC000310986895 634197546 /nfs/dbraw/zinc/19/75/46/634197546.db2.gz RZBMGDNHNJJBLK-SECBINFHSA-N 1 0 245.286 1.211 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194553140 634321880 /nfs/dbraw/zinc/32/18/80/634321880.db2.gz JFKIUALSYFAPRO-CABZTGNLSA-N 1 0 222.332 1.385 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1nccc(OC)n1 ZINC000053706585 634328396 /nfs/dbraw/zinc/32/83/96/634328396.db2.gz VUKCTKMWRJAWJT-JTQLQIEISA-N 1 0 236.319 1.064 10 0 BDAERO COc1ccc(CNC(=O)C2CC([NH3+])C2)cc1 ZINC000258611582 635173916 /nfs/dbraw/zinc/17/39/16/635173916.db2.gz AYWKNHNTUZRQGM-UHFFFAOYSA-N 1 0 234.299 1.049 10 0 BDAERO [NH3+]C1CC(C(=O)NCc2ccc(Cl)cc2)C1 ZINC000258797505 635202094 /nfs/dbraw/zinc/20/20/94/635202094.db2.gz VPRNEZAQTKWKIB-UHFFFAOYSA-N 1 0 238.718 1.694 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCCOC[C@H]1C ZINC000399326161 635243039 /nfs/dbraw/zinc/24/30/39/635243039.db2.gz MHYWCLOVXGFVJW-CHWSQXEVSA-N 1 0 245.363 1.275 10 0 BDAERO CCCCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C ZINC000054072424 635344506 /nfs/dbraw/zinc/34/45/06/635344506.db2.gz ZRWQBAYIJXIRGZ-NXEZZACHSA-N 1 0 200.326 1.679 10 0 BDAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1O)c1ccccc1 ZINC000250816090 635701198 /nfs/dbraw/zinc/70/11/98/635701198.db2.gz OREHMVGFHMUVEF-BFHYXJOUSA-N 1 0 235.327 1.613 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2Cc3ccccc3O2)n1 ZINC000054158624 635774674 /nfs/dbraw/zinc/77/46/74/635774674.db2.gz DMHKZMHCHPCANW-KCJUWKMLSA-N 1 0 245.282 1.808 10 0 BDAERO C[C@H](C[NH3+])c1noc(Cc2ccccc2F)n1 ZINC000054158564 635775182 /nfs/dbraw/zinc/77/51/82/635775182.db2.gz AAAMVZFBIHEJPF-MRVPVSSYSA-N 1 0 235.262 1.862 10 0 BDAERO CCc1cc(CC)nc(N(CC)[C@@H]2CC[NH2+]C2)n1 ZINC000310647872 636269810 /nfs/dbraw/zinc/26/98/10/636269810.db2.gz WKNYNYRNVIWYMY-CYBMUJFWSA-N 1 0 248.374 1.790 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000143959600 636348118 /nfs/dbraw/zinc/34/81/18/636348118.db2.gz QRPKWKHMIUWDBI-RYUDHWBXSA-N 1 0 219.284 1.553 10 0 BDAERO CCOCCC[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228696162 636539029 /nfs/dbraw/zinc/53/90/29/636539029.db2.gz YEYUSHFGKJAEQN-QWRGUYRKSA-N 1 0 229.320 1.154 10 0 BDAERO OC1(C[C@@H]2CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000669372393 636549982 /nfs/dbraw/zinc/54/99/82/636549982.db2.gz QUZKGNVGKYCZPT-CQSZACIVSA-N 1 0 247.338 1.802 10 0 BDAERO OC1(C[C@H]2CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000669372392 636550403 /nfs/dbraw/zinc/55/04/03/636550403.db2.gz QUZKGNVGKYCZPT-AWEZNQCLSA-N 1 0 247.338 1.802 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179120822 636677681 /nfs/dbraw/zinc/67/76/81/636677681.db2.gz NLVWDSSVPSOULH-JSGCOSHPSA-N 1 0 246.354 1.686 10 0 BDAERO CCn1ncnc1C1([NH3+])CCC(C)CC1 ZINC000054498765 636743908 /nfs/dbraw/zinc/74/39/08/636743908.db2.gz GCFRAIVYERTPTH-UHFFFAOYSA-N 1 0 208.309 1.662 10 0 BDAERO CON1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000323132953 636901990 /nfs/dbraw/zinc/90/19/90/636901990.db2.gz SVIBTBFDZBOIHU-YPMHNXCESA-N 1 0 242.363 1.153 10 0 BDAERO c1cnn(CC[NH2+]CCc2ccccc2)c1 ZINC000042351683 637189830 /nfs/dbraw/zinc/18/98/30/637189830.db2.gz YVVDCEVNBFHFAU-UHFFFAOYSA-N 1 0 215.300 1.715 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000149232164 638242984 /nfs/dbraw/zinc/24/29/84/638242984.db2.gz ZAVJYADZZQYDTK-MXWKQRLJSA-N 1 0 226.364 1.912 10 0 BDAERO C(C[NH2+]C1CC1)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000043427162 638317694 /nfs/dbraw/zinc/31/76/94/638317694.db2.gz HQPUSMQUEZYYLJ-KBPBESRZSA-N 1 0 238.375 1.772 10 0 BDAERO CN1C[C@H](C[NH2+][C@H]2CCCC3(CC3)C2)CC1=O ZINC000722749732 711470098 /nfs/dbraw/zinc/47/00/98/711470098.db2.gz PZFCMNCKCZLRQS-RYUDHWBXSA-N 1 0 236.359 1.777 10 0 BDAERO C[C@@H](C[NH3+])c1nc(C2CCCC2)nn1C ZINC000054699111 640321226 /nfs/dbraw/zinc/32/12/26/640321226.db2.gz CLMPYLHPHWSASL-QMMMGPOBSA-N 1 0 208.309 1.535 10 0 BDAERO C[NH2+]CCNC(=O)[C@H](C)Cc1ccccc1 ZINC000151310534 640361235 /nfs/dbraw/zinc/36/12/35/640361235.db2.gz WVEKPVGWBIRGQT-LLVKDONJSA-N 1 0 220.316 1.201 10 0 BDAERO C[NH2+]CCNC(=O)[C@@H](C)Cc1ccccc1 ZINC000151310460 640362501 /nfs/dbraw/zinc/36/25/01/640362501.db2.gz WVEKPVGWBIRGQT-NSHDSACASA-N 1 0 220.316 1.201 10 0 BDAERO c1cnc(C[NH2+]CC[C@H]2CCCO2)cn1 ZINC000054766588 640408100 /nfs/dbraw/zinc/40/81/00/640408100.db2.gz BLLJQRWUOJMBIT-LLVKDONJSA-N 1 0 207.277 1.135 10 0 BDAERO CCCOc1ccnc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000164811486 640506806 /nfs/dbraw/zinc/50/68/06/640506806.db2.gz SDFVWZFCIHCLQD-SNVBAGLBSA-N 1 0 238.335 1.661 10 0 BDAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)[C@H](C)O)o1 ZINC000349328804 640511311 /nfs/dbraw/zinc/51/13/11/640511311.db2.gz HMCKAMRYRWCNBQ-ZJUUUORDSA-N 1 0 249.314 1.837 10 0 BDAERO CCCOc1ccnc(N[C@@H](C)CCC[NH3+])n1 ZINC000164945048 640521579 /nfs/dbraw/zinc/52/15/79/640521579.db2.gz PIMQJPDOOZKGED-JTQLQIEISA-N 1 0 238.335 1.805 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1OC ZINC000166601790 640656831 /nfs/dbraw/zinc/65/68/31/640656831.db2.gz RUWDGQZVKIHZMF-NEPJUHHUSA-N 1 0 249.310 1.561 10 0 BDAERO Cc1cnc(-c2noc([C@@H]3CC[C@H]([NH3+])C3)n2)nc1 ZINC000167209193 640707612 /nfs/dbraw/zinc/70/76/12/640707612.db2.gz UPFAGOLEEZWBEJ-BDAKNGLRSA-N 1 0 245.286 1.430 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCCCO ZINC000226838790 640802489 /nfs/dbraw/zinc/80/24/89/640802489.db2.gz GXSUYHQUAPVPND-UONOGXRCSA-N 1 0 240.391 1.708 10 0 BDAERO OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000227326641 640827534 /nfs/dbraw/zinc/82/75/34/640827534.db2.gz CKWIANLJPJWFNC-HRDYMLBCSA-N 1 0 241.253 1.050 10 0 BDAERO CO[C@H](c1noc(C[C@@H]([NH3+])C(C)C)n1)C1CC1 ZINC000227329847 640827823 /nfs/dbraw/zinc/82/78/23/640827823.db2.gz XVAGHAFEZYLCTE-KOLCDFICSA-N 1 0 239.319 1.693 10 0 BDAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)C1CC1 ZINC000227382664 640830773 /nfs/dbraw/zinc/83/07/73/640830773.db2.gz MFJJCRFWKADSEO-MRVWCRGKSA-N 1 0 238.375 1.316 10 0 BDAERO C[C@H](O)c1ccc(N2C[C@H](C)[C@H]([NH+](C)C)C2)nc1 ZINC000228346036 640871705 /nfs/dbraw/zinc/87/17/05/640871705.db2.gz SHINVAZBEYOOPP-GMXVVIOVSA-N 1 0 249.358 1.521 10 0 BDAERO CC1(c2noc([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000087548327 640922385 /nfs/dbraw/zinc/92/23/85/640922385.db2.gz HVSHPBLSKHNLSE-QMMMGPOBSA-N 1 0 207.277 1.588 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCC1CCC1 ZINC000229108010 640923466 /nfs/dbraw/zinc/92/34/66/640923466.db2.gz VZPNFCMXXGYPKL-LLVKDONJSA-N 1 0 212.337 1.666 10 0 BDAERO C[C@@H](CC[S@@](C)=O)[NH2+]CCc1ccccc1 ZINC000229153770 640928461 /nfs/dbraw/zinc/92/84/61/640928461.db2.gz HHJSQZMXDOQBNM-BLLLJJGKSA-N 1 0 239.384 1.976 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000229216784 640933870 /nfs/dbraw/zinc/93/38/70/640933870.db2.gz XLPXDMPIFMPUIR-NEPJUHHUSA-N 1 0 225.332 1.965 10 0 BDAERO c1nc2c(c(NC3CC[NH2+]CC3)n1)CCC2 ZINC000061277619 640948483 /nfs/dbraw/zinc/94/84/83/640948483.db2.gz CZRBAFJRCWFECL-UHFFFAOYSA-N 1 0 218.304 1.129 10 0 BDAERO CCOc1ccc2c(c1)OC[C@H]([C@@H](C)[NH3+])C2 ZINC000675064361 640962693 /nfs/dbraw/zinc/96/26/93/640962693.db2.gz YOXZAVKNVLITPG-MWLCHTKSSA-N 1 0 221.300 1.984 10 0 BDAERO CCOc1ccc2c(c1)OC[C@@H]([C@H](C)[NH3+])C2 ZINC000675064362 640962908 /nfs/dbraw/zinc/96/29/08/640962908.db2.gz YOXZAVKNVLITPG-ONGXEEELSA-N 1 0 221.300 1.984 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cccc(O)c1 ZINC000061883849 641003483 /nfs/dbraw/zinc/00/34/83/641003483.db2.gz IJICLSUWCXWJCG-YPMHNXCESA-N 1 0 248.326 1.178 10 0 BDAERO [NH3+][C@@H]1CCN(c2nc3ccc(F)cc3s2)C1 ZINC000062202427 641025937 /nfs/dbraw/zinc/02/59/37/641025937.db2.gz JMTHTBSSPRPGRG-MRVPVSSYSA-N 1 0 237.303 1.973 10 0 BDAERO COC(=O)[C@H]([NH3+])CCn1nc(C)c(Cl)c1C ZINC000062538315 641060035 /nfs/dbraw/zinc/06/00/35/641060035.db2.gz CBYWDUIPNHIGMT-MRVPVSSYSA-N 1 0 245.710 1.044 10 0 BDAERO Cc1ccc(N)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062964351 641115863 /nfs/dbraw/zinc/11/58/63/641115863.db2.gz KCJSNZNBUKGGGH-LBPRGKRZSA-N 1 0 247.342 1.353 10 0 BDAERO CCN(C)C(=O)[C@H](C)[NH2+]CCc1ccccc1 ZINC000231841917 641205155 /nfs/dbraw/zinc/20/51/55/641205155.db2.gz GASAHMPTOMUGTH-LBPRGKRZSA-N 1 0 234.343 1.686 10 0 BDAERO CC(C)(O)C[NH2+]C[C@H](O)c1ccsc1 ZINC000231984008 641228450 /nfs/dbraw/zinc/22/84/50/641228450.db2.gz ZCODKRIQZZRJBC-VIFPVBQESA-N 1 0 215.318 1.142 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCC2CCC2)C1 ZINC000158297371 641629992 /nfs/dbraw/zinc/62/99/92/641629992.db2.gz IPOPSQCGDJEPIY-WDEREUQCSA-N 1 0 210.321 1.420 10 0 BDAERO CSCC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000158808851 641651473 /nfs/dbraw/zinc/65/14/73/641651473.db2.gz KVGYLBKKZYSFQI-AXFHLTTASA-N 1 0 244.404 1.619 10 0 BDAERO CSC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000158801663 641651675 /nfs/dbraw/zinc/65/16/75/641651675.db2.gz NVDPQWRYGWJHAA-ZJUUUORDSA-N 1 0 244.404 1.619 10 0 BDAERO COCCCCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089397115 641688088 /nfs/dbraw/zinc/68/80/88/641688088.db2.gz LDMLAZHXVLMKLL-NEPJUHHUSA-N 1 0 242.363 1.294 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000189006448 641781947 /nfs/dbraw/zinc/78/19/47/641781947.db2.gz NFBVXOHWPNEURL-LBPRGKRZSA-N 1 0 237.322 1.795 10 0 BDAERO c1cc(-c2noc([C@@H]3CC[NH2+]C3)n2)co1 ZINC000069946085 642941676 /nfs/dbraw/zinc/94/16/76/642941676.db2.gz AZWXJVLWYUIWMC-SSDOTTSWSA-N 1 0 205.217 1.407 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C=C2CCC2)C1 ZINC000246845958 643080319 /nfs/dbraw/zinc/08/03/19/643080319.db2.gz FDQJAVOADMKLKK-WCQYABFASA-N 1 0 236.359 1.942 10 0 BDAERO Cc1ccc([C@@H](O)C[NH2+]C(C)(C)CO)cc1 ZINC000071687469 643168947 /nfs/dbraw/zinc/16/89/47/643168947.db2.gz MJTOIDONVSWDJH-LBPRGKRZSA-N 1 0 223.316 1.389 10 0 BDAERO c1ccc2c(c1)C[C@@H]2C[N@@H+]1CCC2(C1)OCCO2 ZINC000306929826 643300257 /nfs/dbraw/zinc/30/02/57/643300257.db2.gz CPJWXIFIQMIBIV-CYBMUJFWSA-N 1 0 245.322 1.775 10 0 BDAERO CC1(C)C[C@]2(CO1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757141946 643303415 /nfs/dbraw/zinc/30/34/15/643303415.db2.gz ASBYEVPLVMPTNN-PWSUYJOCSA-N 1 0 211.305 1.528 10 0 BDAERO Cc1cccc(C)c1CN1CC[C@H]1C[NH3+] ZINC000757144229 643315362 /nfs/dbraw/zinc/31/53/62/643315362.db2.gz IHOWOUOJIMFVIG-LBPRGKRZSA-N 1 0 204.317 1.836 10 0 BDAERO [NH3+]C[C@@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC000757149100 643333769 /nfs/dbraw/zinc/33/37/69/643333769.db2.gz XKFTXZGWUPZNFT-UWVGGRQHSA-N 1 0 218.291 1.845 10 0 BDAERO C1CC2(C1)C[NH2+][C@]1(CN3CCC1CC3)OC2 ZINC000757149106 643336730 /nfs/dbraw/zinc/33/67/30/643336730.db2.gz WMHMYYKDHLWFPT-CYBMUJFWSA-N 1 0 222.332 1.198 10 0 BDAERO CC[C@@H](C)c1noc([C@@]2(C)CC[NH2+]C2)n1 ZINC000082561114 643343586 /nfs/dbraw/zinc/34/35/86/643343586.db2.gz FKGFPWIZCHWAAK-KCJUWKMLSA-N 1 0 209.293 1.834 10 0 BDAERO CCN(CC[NH3+])c1ncnc2sc(C)cc21 ZINC000082591937 643351792 /nfs/dbraw/zinc/35/17/92/643351792.db2.gz MMEXMIKGKUPHCI-UHFFFAOYSA-N 1 0 236.344 1.785 10 0 BDAERO COC(=O)/C=C1/CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000757190714 643362579 /nfs/dbraw/zinc/36/25/79/643362579.db2.gz CAKOPLABVIJFIH-XJMUJKMXSA-N 1 0 209.289 1.638 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ncccc1F ZINC000757192342 643364226 /nfs/dbraw/zinc/36/42/26/643364226.db2.gz YRUTZQLNOKLNNW-BDAKNGLRSA-N 1 0 238.262 1.087 10 0 BDAERO C[NH2+]CCc1noc(-c2ccncc2F)n1 ZINC000083094397 643410080 /nfs/dbraw/zinc/41/00/80/643410080.db2.gz MRPAKQSVAKLBFH-UHFFFAOYSA-N 1 0 222.223 1.033 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H](C2(C[NH3+])CC2)C1 ZINC000083339318 643436087 /nfs/dbraw/zinc/43/60/87/643436087.db2.gz AFJGFQNSAJLARW-SNVBAGLBSA-N 1 0 240.347 1.982 10 0 BDAERO Cc1ccncc1CCC[NH2+][C@@H](C)[C@H](C)O ZINC000336781716 643461799 /nfs/dbraw/zinc/46/17/99/643461799.db2.gz VJIMQEKLBJFVHC-RYUDHWBXSA-N 1 0 222.332 1.682 10 0 BDAERO Cc1cc2c(ncnc2N[C@H](C)C[NH3+])s1 ZINC000082576094 643513881 /nfs/dbraw/zinc/51/38/81/643513881.db2.gz OBNBINISBDIUGJ-ZCFIWIBFSA-N 1 0 222.317 1.759 10 0 BDAERO CCCCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085010717 643521319 /nfs/dbraw/zinc/52/13/19/643521319.db2.gz NWWZMELUYIQKDM-MNOVXSKESA-N 1 0 212.337 1.810 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083527062 643536847 /nfs/dbraw/zinc/53/68/47/643536847.db2.gz JCEXCXNKCYGTPY-STQMWFEESA-N 1 0 225.332 1.857 10 0 BDAERO CCOC(=O)C[C@]1([NH3+])CCCSC1 ZINC000086851741 643641142 /nfs/dbraw/zinc/64/11/42/643641142.db2.gz WPEOHPPECMHEGP-SECBINFHSA-N 1 0 203.307 1.164 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NC1CCCC1 ZINC000084301206 643657676 /nfs/dbraw/zinc/65/76/76/643657676.db2.gz XYJBZIKOEOJSQX-CMPLNLGQSA-N 1 0 224.348 1.810 10 0 BDAERO Nc1nn(CC[NH+]2CCCC2)cc1Cl ZINC000236371129 643657807 /nfs/dbraw/zinc/65/78/07/643657807.db2.gz ZADXDFRHZNXHLA-UHFFFAOYSA-N 1 0 214.700 1.215 10 0 BDAERO CC(C)N(C)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301411 643658007 /nfs/dbraw/zinc/65/80/07/643658007.db2.gz RYXWOLVDPMNVCI-GHMZBOCLSA-N 1 0 212.337 1.618 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000084301000 643658054 /nfs/dbraw/zinc/65/80/54/643658054.db2.gz HCDUWILHJYLZGX-WDEREUQCSA-N 1 0 210.321 1.374 10 0 BDAERO CN(C(=O)[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000084301671 643658084 /nfs/dbraw/zinc/65/80/84/643658084.db2.gz ORSGLKGIQXXFSM-MWLCHTKSSA-N 1 0 210.321 1.372 10 0 BDAERO [NH3+]C1CC(CNc2ncccc2Cl)C1 ZINC000084447977 643662961 /nfs/dbraw/zinc/66/29/61/643662961.db2.gz LJQHRNAFTCEPMT-UHFFFAOYSA-N 1 0 211.696 1.884 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269088 643673210 /nfs/dbraw/zinc/67/32/10/643673210.db2.gz JZYXBJZBOQTROS-TUAOUCFPSA-N 1 0 211.305 1.572 10 0 BDAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3ccoc3)no2)C1 ZINC000085007959 643677665 /nfs/dbraw/zinc/67/76/65/643677665.db2.gz INKBZQBTNOHUAM-APPZFPTMSA-N 1 0 219.244 1.924 10 0 BDAERO O=C1NCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000050394018 643695052 /nfs/dbraw/zinc/69/50/52/643695052.db2.gz PSZFKPUOENRAST-LBPRGKRZSA-N 1 0 218.300 1.097 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CO)cc1C ZINC000085246382 643697650 /nfs/dbraw/zinc/69/76/50/643697650.db2.gz GGPOQKHBRQESDR-YPMHNXCESA-N 1 0 223.316 1.307 10 0 BDAERO CC(C)Oc1cc(N(C)C[C@@H](C)[NH3+])ncn1 ZINC000085483621 643755403 /nfs/dbraw/zinc/75/54/03/643755403.db2.gz WFEITMBZSMVMFR-SECBINFHSA-N 1 0 224.308 1.047 10 0 BDAERO CCCCCNC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035188346 643914313 /nfs/dbraw/zinc/91/43/13/643914313.db2.gz COAVRSMRIQJTQV-JTQLQIEISA-N 1 0 230.352 1.042 10 0 BDAERO C/C=C/C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000086409625 644130710 /nfs/dbraw/zinc/13/07/10/644130710.db2.gz QIVCOWYKUGTDQP-ZPMKCOPCSA-N 1 0 210.321 1.505 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NOCc1ccccc1 ZINC000086437092 644132911 /nfs/dbraw/zinc/13/29/11/644132911.db2.gz PNSKKSGAIGABJI-ZDUSSCGKSA-N 1 0 248.326 1.624 10 0 BDAERO CCN(c1nc2ccccc2n1C)[C@H]1CC[NH2+]C1 ZINC000079048424 644146707 /nfs/dbraw/zinc/14/67/07/644146707.db2.gz KVONXNVSHFSMLN-NSHDSACASA-N 1 0 244.342 1.762 10 0 BDAERO CCN(c1nc2ccccc2n1C)[C@@H]1CC[NH2+]C1 ZINC000079048414 644147183 /nfs/dbraw/zinc/14/71/83/644147183.db2.gz KVONXNVSHFSMLN-LLVKDONJSA-N 1 0 244.342 1.762 10 0 BDAERO CN(C)c1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cn1 ZINC000079514140 644186478 /nfs/dbraw/zinc/18/64/78/644186478.db2.gz WVMHEKBVIOMTCX-ZDUSSCGKSA-N 1 0 248.330 1.228 10 0 BDAERO C1[NH2+]CC1O[C@H]1CCO[C@]2(CCSC2)C1 ZINC000086905296 644275444 /nfs/dbraw/zinc/27/54/44/644275444.db2.gz ZFULQNDKCRFYOI-GXSJLCMTSA-N 1 0 229.345 1.030 10 0 BDAERO [NH3+]CC[C@@H]1CN(c2ccc(F)cc2)C(=O)O1 ZINC000082361813 644373302 /nfs/dbraw/zinc/37/33/02/644373302.db2.gz OXYRXOQPPWEDDF-SNVBAGLBSA-N 1 0 224.235 1.500 10 0 BDAERO CCCc1nsc(N(CC)[C@H]2CC[NH2+]C2)n1 ZINC000083670668 644406020 /nfs/dbraw/zinc/40/60/20/644406020.db2.gz ADEFBAPSMXXAGZ-VIFPVBQESA-N 1 0 240.376 1.679 10 0 BDAERO CC[C@@H](C)c1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000084380324 644423851 /nfs/dbraw/zinc/42/38/51/644423851.db2.gz BLYHEYXJWWAXNO-RKDXNWHRSA-N 1 0 209.293 1.735 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@H]1c1cc(F)cc(F)c1 ZINC000685946274 644517948 /nfs/dbraw/zinc/51/79/48/644517948.db2.gz MYXOOSMZRQVCAB-RYUDHWBXSA-N 1 0 226.270 1.759 10 0 BDAERO C[C@@H]([NH3+])C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000685946203 644517954 /nfs/dbraw/zinc/51/79/54/644517954.db2.gz FIAQXZRFKJHRRQ-SECBINFHSA-N 1 0 229.320 1.472 10 0 BDAERO Cn1ccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089390238 644547959 /nfs/dbraw/zinc/54/79/59/644547959.db2.gz XSVAOSXMAWKVHC-VHSXEESVSA-N 1 0 236.319 1.124 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)o1 ZINC000089754223 644565036 /nfs/dbraw/zinc/56/50/36/644565036.db2.gz RNJGMFRNIFXZEC-RKDXNWHRSA-N 1 0 236.271 1.044 10 0 BDAERO Cc1ccc(F)c(C(=O)NCC2CC([NH3+])C2)c1 ZINC000091525072 644629472 /nfs/dbraw/zinc/62/94/72/644629472.db2.gz WTUCSVPUHNAAMD-UHFFFAOYSA-N 1 0 236.290 1.601 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCOC(C)C)C[C@H]1C ZINC000094996593 644734403 /nfs/dbraw/zinc/73/44/03/644734403.db2.gz IODOJYFEYVVPGQ-MNOVXSKESA-N 1 0 229.320 1.152 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000250518484 644762018 /nfs/dbraw/zinc/76/20/18/644762018.db2.gz JCEXCXNKCYGTPY-QWHCGFSZSA-N 1 0 225.332 1.857 10 0 BDAERO CN(CC(F)(F)C(F)F)[C@H]1CCC[NH2+]CC1 ZINC000303744238 644842461 /nfs/dbraw/zinc/84/24/61/644842461.db2.gz RRBQHJAVCCBMNU-QMMMGPOBSA-N 1 0 242.260 1.961 10 0 BDAERO CCC[C@](C)(CO)[NH2+]C1CCOCC1 ZINC000097037727 644864467 /nfs/dbraw/zinc/86/44/67/644864467.db2.gz SOOSBKSDTOYIPB-LLVKDONJSA-N 1 0 201.310 1.306 10 0 BDAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3ncccn3)no2)C1 ZINC000097067890 644868342 /nfs/dbraw/zinc/86/83/42/644868342.db2.gz OCWGQLGZODPELL-JGVFFNPUSA-N 1 0 231.259 1.121 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1CCCO1 ZINC000252695648 644882646 /nfs/dbraw/zinc/88/26/46/644882646.db2.gz LWJIBBUFTRTNMB-TUAOUCFPSA-N 1 0 240.347 1.047 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)[C@H]1OC ZINC000252790572 644906457 /nfs/dbraw/zinc/90/64/57/644906457.db2.gz SONCOXSLFFXQPJ-UJPOAAIJSA-N 1 0 243.347 1.072 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1c1nc(CC2CCC2)no1 ZINC000304593223 644918907 /nfs/dbraw/zinc/91/89/07/644918907.db2.gz LIJGWPOPXDIGAA-WCBMZHEXSA-N 1 0 221.304 1.878 10 0 BDAERO C[C@](O)(C[N@@H+]1CC[C@H](CCO)C1)c1ccccc1 ZINC000252890853 644922206 /nfs/dbraw/zinc/92/22/06/644922206.db2.gz IOMLRRKCNDOTFW-HIFRSBDPSA-N 1 0 249.354 1.598 10 0 BDAERO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)CC(F)(F)F ZINC000122120876 645916202 /nfs/dbraw/zinc/91/62/02/645916202.db2.gz LQAQPXSUNXYXHV-PHDIDXHHSA-N 1 0 224.226 1.181 10 0 BDAERO Cc1cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)nc(C)n1 ZINC000723893507 711544125 /nfs/dbraw/zinc/54/41/25/711544125.db2.gz ABHZTVHMUVHGQF-BXKDBHETSA-N 1 0 234.347 1.515 10 0 BDAERO [NH3+]C[C@H]1C[C@H](Nc2ccncc2Cl)C1 ZINC000725646824 711668574 /nfs/dbraw/zinc/66/85/74/711668574.db2.gz NNCDAHSKGBMFMS-ZKCHVHJHSA-N 1 0 211.696 1.306 10 0 BDAERO CCCc1nsc(N[C@H]2C[NH2+]CC2(C)C)n1 ZINC000721936279 711940486 /nfs/dbraw/zinc/94/04/86/711940486.db2.gz YVUCGXNZSHZFAC-QMMMGPOBSA-N 1 0 240.376 1.901 10 0 BDAERO CCCc1noc([C@@]2(C)C[C@H](OC)C[NH2+]2)n1 ZINC000702730450 712060789 /nfs/dbraw/zinc/06/07/89/712060789.db2.gz DCEXUFRKXIFFOI-GZMMTYOYSA-N 1 0 225.292 1.246 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706742519 712153533 /nfs/dbraw/zinc/15/35/33/712153533.db2.gz KRSMYPFWPCRGHZ-CXQJBGSLSA-N 1 0 244.404 1.191 10 0 BDAERO CSC1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000708271142 712184947 /nfs/dbraw/zinc/18/49/47/712184947.db2.gz ZJBPWYQMPSUNCC-UHFFFAOYSA-N 1 0 225.361 1.712 10 0 BDAERO CO[C@@H]1CN(C/C=C\Cl)[C@](C)(C[NH3+])C1 ZINC000708939489 712203386 /nfs/dbraw/zinc/20/33/86/712203386.db2.gz DYZFRZHHSPXKHE-CMIOBCHKSA-N 1 0 218.728 1.177 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cn(C)cn1 ZINC000709993286 712238724 /nfs/dbraw/zinc/23/87/24/712238724.db2.gz XOAFLFUKILDQHM-IVZWLZJFSA-N 1 0 209.293 1.248 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1C=CCC1 ZINC000711657484 712314448 /nfs/dbraw/zinc/31/44/48/712314448.db2.gz VYGNSCCFMFLEDA-OLZOCXBDSA-N 1 0 227.348 1.720 10 0 BDAERO C=C/C=C\CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000713643131 712467601 /nfs/dbraw/zinc/46/76/01/712467601.db2.gz NFINLHQXSWMBBR-WQMVXFAESA-N 1 0 208.305 1.375 10 0 BDAERO C=C/C=C\CC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000713743996 712471508 /nfs/dbraw/zinc/47/15/08/712471508.db2.gz HQSFQRPNOAJTLS-ABZJQCSKSA-N 1 0 223.316 1.860 10 0 BDAERO COCCC[C@H](C)[NH2+]C1CC(COC)C1 ZINC000713962431 712475070 /nfs/dbraw/zinc/47/50/70/712475070.db2.gz WVPHGUWFAIIXDX-UNXYVOJBSA-N 1 0 215.337 1.816 10 0 BDAERO COCC1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000714008740 712477222 /nfs/dbraw/zinc/47/72/22/712477222.db2.gz MXGIAZCACVAFEE-UNXYVOJBSA-N 1 0 213.321 1.428 10 0 BDAERO COC[C@H]([NH2+]C1CC(COC)C1)C(C)C ZINC000714010479 712477561 /nfs/dbraw/zinc/47/75/61/712477561.db2.gz WMONDICTMGVLRM-MCIGGMRASA-N 1 0 215.337 1.672 10 0 BDAERO COCC1CC([NH2+][C@H]2C[C@H](OC)C23CCC3)C1 ZINC000713971630 712475675 /nfs/dbraw/zinc/47/56/75/712475675.db2.gz RWNCOXQDLCRRJT-TYUFSLCMSA-N 1 0 239.359 1.959 10 0 BDAERO CC1(C)CCC[C@H](Cn2cc(C[NH3+])nn2)O1 ZINC000714334313 712482756 /nfs/dbraw/zinc/48/27/56/712482756.db2.gz QCZSMPLBRCBFHK-SNVBAGLBSA-N 1 0 224.308 1.085 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccc(Cl)cn2)C1 ZINC000715092319 712508146 /nfs/dbraw/zinc/50/81/46/712508146.db2.gz RMLWLLLDVJGERO-UHFFFAOYSA-N 1 0 239.706 1.202 10 0 BDAERO [NH3+]C1CC(C(=O)NCC[C@H]2CCCS2)C1 ZINC000715984078 712550985 /nfs/dbraw/zinc/55/09/85/712550985.db2.gz KTBZTVOUFBAIAL-UDNWOFFPSA-N 1 0 228.361 1.126 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n1 ZINC000716449610 712561654 /nfs/dbraw/zinc/56/16/54/712561654.db2.gz KDYSIZAKTMLWEE-VVULQXIFSA-N 1 0 221.304 1.891 10 0 BDAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1C[C@@H]1C ZINC000716707377 712570385 /nfs/dbraw/zinc/57/03/85/712570385.db2.gz UGZYLKBLZIVATO-SNBPEGEQSA-N 1 0 210.321 1.275 10 0 BDAERO NC(=O)C1CC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000716733219 712571648 /nfs/dbraw/zinc/57/16/48/712571648.db2.gz YRMRAVIHKSCHNP-CFMPPFMSSA-N 1 0 222.332 1.276 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCCC23CC3)C1 ZINC000716741431 712571854 /nfs/dbraw/zinc/57/18/54/712571854.db2.gz QPAIIJSRLHEGPY-UDNWOFFPSA-N 1 0 208.305 1.173 10 0 BDAERO CC(C)CC[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716745644 712571876 /nfs/dbraw/zinc/57/18/76/712571876.db2.gz LZKLRTMUIIGLRY-WHXUTIOJSA-N 1 0 212.337 1.665 10 0 BDAERO CC1(C)CO[C@H](CC(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000717047424 712625141 /nfs/dbraw/zinc/62/51/41/712625141.db2.gz YBIWEVUBGMBUPO-WDEREUQCSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)O)cc1F ZINC000717395971 712654097 /nfs/dbraw/zinc/65/40/97/712654097.db2.gz MYCYXXYNSFJSON-OPQQBVKSSA-N 1 0 241.306 1.526 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2cc(C)co2)c1 ZINC000718146535 712748557 /nfs/dbraw/zinc/74/85/57/712748557.db2.gz SIDXYTGWEVHFIV-UHFFFAOYSA-N 1 0 219.288 1.883 10 0 BDAERO Cc1coc(-c2nc([C@H](C)C[NH3+])no2)c1 ZINC000718452754 712763161 /nfs/dbraw/zinc/76/31/61/712763161.db2.gz XBHUUDMWANSGOW-SSDOTTSWSA-N 1 0 207.233 1.700 10 0 BDAERO COCC(C)(C)CC[NH2+]Cc1cnn(C)c1C ZINC000718651046 712776731 /nfs/dbraw/zinc/77/67/31/712776731.db2.gz AZTBAJJNMUPPPE-UHFFFAOYSA-N 1 0 239.363 1.881 10 0 BDAERO C[NH2+]CCCCC(=O)N(C)C[C@@H]1CCCO1 ZINC000719713845 712823301 /nfs/dbraw/zinc/82/33/01/712823301.db2.gz CANYHDWQXBSRPC-NSHDSACASA-N 1 0 228.336 1.014 10 0 BDAERO O[C@H](C[NH2+]C[C@]12CCC[C@H]1OCC2)C1CC1 ZINC000720282863 712830315 /nfs/dbraw/zinc/83/03/15/712830315.db2.gz VIWCYXPAJUCFLF-JHJVBQTASA-N 1 0 225.332 1.306 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720423668 712841805 /nfs/dbraw/zinc/84/18/05/712841805.db2.gz CFUVKWRTGQVBHM-STQMWFEESA-N 1 0 245.363 1.275 10 0 BDAERO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000723107820 710726903 /nfs/dbraw/zinc/72/69/03/710726903.db2.gz WKZIEYLOTBMNIY-WHOHXGKFSA-N 1 0 225.332 1.773 10 0 BDAERO CCCc1nccnc1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000723784198 710731703 /nfs/dbraw/zinc/73/17/03/710731703.db2.gz FMWMZSWZJIQEEU-MNOVXSKESA-N 1 0 234.347 1.697 10 0 BDAERO CCCc1noc(C[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000722616133 711455702 /nfs/dbraw/zinc/45/57/02/711455702.db2.gz LAFQAIJCFRQEGJ-RKDXNWHRSA-N 1 0 209.293 1.420 10 0 BDAERO c1ccc(CC[NH2+]C[C@@H]2COCCO2)cc1 ZINC000037998082 711481651 /nfs/dbraw/zinc/48/16/51/711481651.db2.gz FUOCYYPILLWTCF-CYBMUJFWSA-N 1 0 221.300 1.234 10 0 BDAERO Cc1cnc(N2C3CCC2(C[NH3+])CC3)nc1C ZINC000722988120 711494130 /nfs/dbraw/zinc/49/41/30/711494130.db2.gz ZWUOURAIBDCISO-UHFFFAOYSA-N 1 0 232.331 1.554 10 0 BDAERO Cc1cn(C)nc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000723503755 711513525 /nfs/dbraw/zinc/51/35/25/711513525.db2.gz UWUFLEIZQBBJNY-GFCCVEGCSA-N 1 0 236.363 1.302 10 0 BDAERO Cc1cc(C)nc(N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723894624 711544408 /nfs/dbraw/zinc/54/44/08/711544408.db2.gz NSCAHARVTQXXSX-BXKDBHETSA-N 1 0 234.347 1.515 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCN(CC)C1)[C@H]1CCCOC1 ZINC000723989173 711550985 /nfs/dbraw/zinc/55/09/85/711550985.db2.gz TVFFUZOIXWZAJS-IHRRRGAJSA-N 1 0 240.391 1.875 10 0 BDAERO CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000724192824 711568423 /nfs/dbraw/zinc/56/84/23/711568423.db2.gz MWYHFZNODNEVBZ-ZDEQEGDKSA-N 1 0 227.348 1.647 10 0 BDAERO C[C@@H]1CC(C[NH2+]C[C@H](O)C2CC2)C[C@@H](C)O1 ZINC000724443095 711581036 /nfs/dbraw/zinc/58/10/36/711581036.db2.gz CIAWZGSYGCNYRG-BREBYQMCSA-N 1 0 227.348 1.551 10 0 BDAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)CCO1 ZINC000721523664 711617997 /nfs/dbraw/zinc/61/79/97/711617997.db2.gz TZRDVKMESWFDHF-KPFVRQRISA-N 1 0 241.375 1.941 10 0 BDAERO [NH3+]C1(CNc2ncc(Cl)cc2F)CC1 ZINC000725664612 711669130 /nfs/dbraw/zinc/66/91/30/711669130.db2.gz HQPVFYXPPHDEDG-UHFFFAOYSA-N 1 0 215.659 1.777 10 0 BDAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CO ZINC000309342549 711675257 /nfs/dbraw/zinc/67/52/57/711675257.db2.gz LBBNQGSLCSYQBP-MROQNXINSA-N 1 0 227.348 1.695 10 0 BDAERO C([C@@H]1CCCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257656255 711723148 /nfs/dbraw/zinc/72/31/48/711723148.db2.gz FKBMSEIBDIIWCL-STQMWFEESA-N 1 0 224.348 1.383 10 0 BDAERO CCC1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000227427470 711729549 /nfs/dbraw/zinc/72/95/49/711729549.db2.gz RIOBVJAYQYSLQG-WDEREUQCSA-N 1 0 224.348 1.668 10 0 BDAERO [NH3+][C@H](CCO)c1cc(F)cc(Br)c1 ZINC000095638640 711776356 /nfs/dbraw/zinc/77/63/56/711776356.db2.gz HITKMUZOWOVZKU-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1nc2ccccc2o1 ZINC000721954772 711947668 /nfs/dbraw/zinc/94/76/68/711947668.db2.gz SQVVRBHHZXAYIR-PSASIEDQSA-N 1 0 217.272 1.848 10 0 BDAERO COc1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)sn1 ZINC000708855499 711974293 /nfs/dbraw/zinc/97/42/93/711974293.db2.gz URXXKDOHXKBGJQ-IUCAKERBSA-N 1 0 241.360 1.178 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC2(C)C)n1 ZINC000700471813 711993634 /nfs/dbraw/zinc/99/36/34/711993634.db2.gz QURSISBQGLRVHX-SECBINFHSA-N 1 0 221.304 1.769 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCOC[C@@H]2C)n1 ZINC000700487430 711994413 /nfs/dbraw/zinc/99/44/13/711994413.db2.gz REWCULTXGNPHHH-WPRPVWTQSA-N 1 0 237.303 1.005 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)/C=C\c1ccccc1F ZINC000700751265 712004298 /nfs/dbraw/zinc/00/42/98/712004298.db2.gz CQKRYAHYBJOOQP-VVNZAOIASA-N 1 0 248.301 1.787 10 0 BDAERO C[C@H]([NH3+])CCNC(=O)/C=C/c1ccccc1F ZINC000700750818 712004477 /nfs/dbraw/zinc/00/44/77/712004477.db2.gz XWEVFYFFSXXOMH-FGEFZZPRSA-N 1 0 236.290 1.692 10 0 BDAERO CC(C)c1cnc(CN2C[C@H](C)[C@H]([NH3+])C2)o1 ZINC000700789172 712005097 /nfs/dbraw/zinc/00/50/97/712005097.db2.gz XQPCEVMEYRTZPL-VHSXEESVSA-N 1 0 223.320 1.577 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(CO)cc1 ZINC000700769595 712005640 /nfs/dbraw/zinc/00/56/40/712005640.db2.gz UAXAKUBFVBPUDT-OLZOCXBDSA-N 1 0 248.326 1.036 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(F)n1 ZINC000701111695 712015465 /nfs/dbraw/zinc/01/54/65/712015465.db2.gz YAVYEABDORQBIH-DTWKUNHWSA-N 1 0 237.278 1.091 10 0 BDAERO O=C(N[C@H]1C=CCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000702211695 712040283 /nfs/dbraw/zinc/04/02/83/712040283.db2.gz VILZKVVHOXJDNC-GVXVVHGQSA-N 1 0 220.316 1.211 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCSC1 ZINC000704891876 712121032 /nfs/dbraw/zinc/12/10/32/712121032.db2.gz SSOCDYZMKUUHDG-QWRGUYRKSA-N 1 0 244.404 1.619 10 0 BDAERO C[C@@](O)(C[NH2+]CC[C@@H]1CCCO1)C(F)F ZINC000705044109 712122296 /nfs/dbraw/zinc/12/22/96/712122296.db2.gz GLPKTGWXEABZHE-WCBMZHEXSA-N 1 0 223.263 1.161 10 0 BDAERO [NH3+]CC[C@@H]1CCN(c2ncnc3[nH]ccc32)C1 ZINC000705212564 712124240 /nfs/dbraw/zinc/12/42/40/712124240.db2.gz JBHSISQMZGPHIJ-SECBINFHSA-N 1 0 231.303 1.133 10 0 BDAERO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000706734204 712153380 /nfs/dbraw/zinc/15/33/80/712153380.db2.gz PHOODMRCHJYGKB-VWYCJHECSA-N 1 0 215.337 1.551 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000706699043 712152748 /nfs/dbraw/zinc/15/27/48/712152748.db2.gz GYBJXCREMWQXJI-FGLXMSFASA-N 1 0 243.372 1.152 10 0 BDAERO CSC1CC([NH2+]CCn2cc(C)cn2)C1 ZINC000706766484 712154454 /nfs/dbraw/zinc/15/44/54/712154454.db2.gz VEULGZQDFHMPSA-UHFFFAOYSA-N 1 0 225.361 1.675 10 0 BDAERO C(C[N@@H+]1C[C@@H]2CCC[C@@H]21)C1OCCCO1 ZINC000706940356 712162373 /nfs/dbraw/zinc/16/23/73/712162373.db2.gz ZRUQDHLKZLDHMH-QWRGUYRKSA-N 1 0 211.305 1.624 10 0 BDAERO C[C@H]1CN(Cc2ccc(Cl)cn2)C[C@@H]1[NH3+] ZINC000707452208 712170668 /nfs/dbraw/zinc/17/06/68/712170668.db2.gz FYIJWIBUBJLQPP-KWQFWETISA-N 1 0 225.723 1.514 10 0 BDAERO CSC1CC([NH2+]Cc2ccc(CO)o2)C1 ZINC000708255642 712184823 /nfs/dbraw/zinc/18/48/23/712184823.db2.gz BAPJGGCMPFSACJ-UHFFFAOYSA-N 1 0 227.329 1.756 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC000708709472 712197591 /nfs/dbraw/zinc/19/75/91/712197591.db2.gz WWTVPCLOSOXSSS-FDYHWXHSSA-N 1 0 227.348 1.383 10 0 BDAERO C[C@@H]1C[N@H+](Cc2cncc(Cl)c2)C[C@H]1CO ZINC000708699349 712197625 /nfs/dbraw/zinc/19/76/25/712197625.db2.gz USBWKNXLIZPAJN-KOLCDFICSA-N 1 0 240.734 1.795 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@@H]1C[NH3+] ZINC000708848478 712200789 /nfs/dbraw/zinc/20/07/89/712200789.db2.gz JREGDGMHQYENOH-ZJRFNNFUSA-N 1 0 234.299 1.346 10 0 BDAERO C[C@H](N[C@@H]1CC[NH2+]C1)[C@]12C[C@H]1CCCC2 ZINC000708865479 712201182 /nfs/dbraw/zinc/20/11/82/712201182.db2.gz IRBHYTUXAHLWNG-LOWDOPEQSA-N 1 0 208.349 1.907 10 0 BDAERO CC(C)(O)C[NH2+]CCc1ccns1 ZINC000709897726 712231785 /nfs/dbraw/zinc/23/17/85/712231785.db2.gz XIZWWXZJWMQOEX-UHFFFAOYSA-N 1 0 200.307 1.046 10 0 BDAERO CC[C@@H](C)c1noc([C@@]2(C[NH3+])CCCOC2)n1 ZINC000710344236 712251957 /nfs/dbraw/zinc/25/19/57/712251957.db2.gz MHJIBGKDGJZQAY-BXKDBHETSA-N 1 0 239.319 1.590 10 0 BDAERO O=C1NCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710932777 712266334 /nfs/dbraw/zinc/26/63/34/712266334.db2.gz ZNKZVRBGEZCYBP-LMLFDSFASA-N 1 0 208.305 1.043 10 0 BDAERO COC1(OC)CC[C@H]1[NH2+][C@H](C)C(C)C ZINC000710955427 712267672 /nfs/dbraw/zinc/26/76/72/712267672.db2.gz CIDFORIDVWOXFN-NXEZZACHSA-N 1 0 201.310 1.772 10 0 BDAERO COC1(OC)CC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000710994787 712273786 /nfs/dbraw/zinc/27/37/86/712273786.db2.gz LEUNZQIZTHOBJT-NXEZZACHSA-N 1 0 231.336 1.135 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711266839 712292137 /nfs/dbraw/zinc/29/21/37/712292137.db2.gz DAKLMRJARFIOSJ-LOWVWBTDSA-N 1 0 224.348 1.679 10 0 BDAERO CC1(C)C[C@H]1c1noc([C@@]2(C)C[NH2+]CCO2)n1 ZINC000711532478 712309447 /nfs/dbraw/zinc/30/94/47/712309447.db2.gz BLILNAPLZQQBHH-QPUJVOFHSA-N 1 0 237.303 1.418 10 0 BDAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1cc(C[NH3+])ccn1 ZINC000711572047 712310595 /nfs/dbraw/zinc/31/05/95/712310595.db2.gz JRFTZMQWPZQOAO-ZSBIGDGJSA-N 1 0 245.326 1.549 10 0 BDAERO OC1(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CCC1 ZINC000711575326 712311242 /nfs/dbraw/zinc/31/12/42/712311242.db2.gz CYPXXQHZABQAJE-AOOOYVTPSA-N 1 0 213.346 1.196 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@H+](CCOC1CC1)CC2 ZINC000711653969 712313968 /nfs/dbraw/zinc/31/39/68/712313968.db2.gz GXANXXKJWURXJN-JSGCOSHPSA-N 1 0 239.359 1.792 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1C=CCC1 ZINC000711657486 712315079 /nfs/dbraw/zinc/31/50/79/712315079.db2.gz VYGNSCCFMFLEDA-QWHCGFSZSA-N 1 0 227.348 1.720 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711766180 712327069 /nfs/dbraw/zinc/32/70/69/712327069.db2.gz ROQNYPHWGGTKEY-LLVKDONJSA-N 1 0 211.305 1.466 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@@H]12 ZINC000711963629 712339188 /nfs/dbraw/zinc/33/91/88/712339188.db2.gz NDIPYCDANPJREB-MBJXGIAVSA-N 1 0 248.370 1.618 10 0 BDAERO C[NH2+]CCc1noc(C[C@@H]2C[C@H]2C2CC2)n1 ZINC000711971163 712339758 /nfs/dbraw/zinc/33/97/58/712339758.db2.gz WIMYTQDMUVVDFX-UWVGGRQHSA-N 1 0 221.304 1.420 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000711940114 712339805 /nfs/dbraw/zinc/33/98/05/712339805.db2.gz JVZNZKWLUIWVDF-VOAKCMCISA-N 1 0 236.359 1.666 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1[NH3+] ZINC000711937103 712339822 /nfs/dbraw/zinc/33/98/22/712339822.db2.gz ATYBKIRJCYGSKI-NUGNTBJXSA-N 1 0 222.332 1.228 10 0 BDAERO OC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000378699953 712358373 /nfs/dbraw/zinc/35/83/73/712358373.db2.gz MUPRKSGDWKAOCI-HZSPNIEDSA-N 1 0 241.375 1.632 10 0 BDAERO CCc1nc(C)cc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000379727984 712393148 /nfs/dbraw/zinc/39/31/48/712393148.db2.gz ZLVAZMMMQLAIAJ-MNOVXSKESA-N 1 0 234.347 1.309 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)o1 ZINC000713184788 712453909 /nfs/dbraw/zinc/45/39/09/712453909.db2.gz LPYZSNYGGSTMDE-DNJQJEMRSA-N 1 0 249.314 1.288 10 0 BDAERO CN(c1ncc(F)cn1)C1(C[NH3+])CCCCC1 ZINC000713371550 712459895 /nfs/dbraw/zinc/45/98/95/712459895.db2.gz VFAPBZDUPOFNCL-UHFFFAOYSA-N 1 0 238.310 1.714 10 0 BDAERO Cc1ccccc1NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713791958 712472518 /nfs/dbraw/zinc/47/25/18/712472518.db2.gz HNEPADSDPKJZBJ-WDEREUQCSA-N 1 0 234.299 1.297 10 0 BDAERO [NH3+]C[C@H]1C[C@@H](C(=O)Nc2cccc(F)c2)CO1 ZINC000713804479 712472970 /nfs/dbraw/zinc/47/29/70/712472970.db2.gz INSZMVSNZLCUGV-LDYMZIIASA-N 1 0 238.262 1.128 10 0 BDAERO COCC1CC([NH2+][C@@H](C)c2nccn2C)C1 ZINC000713918625 712472983 /nfs/dbraw/zinc/47/29/83/712472983.db2.gz VHWLESZIMLQPCP-WHXUTIOJSA-N 1 0 223.320 1.496 10 0 BDAERO [NH3+]C[C@H]1C[C@H](C(=O)Nc2ccccc2F)CO1 ZINC000713806939 712472995 /nfs/dbraw/zinc/47/29/95/712472995.db2.gz WHJLQVGXNZXSBN-DTWKUNHWSA-N 1 0 238.262 1.128 10 0 BDAERO COCC1CC([NH2+]Cc2ncc(C)o2)C1 ZINC000713926299 712473191 /nfs/dbraw/zinc/47/31/91/712473191.db2.gz FGHDVMQYPWXTIK-UHFFFAOYSA-N 1 0 210.277 1.498 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000713972513 712475737 /nfs/dbraw/zinc/47/57/37/712475737.db2.gz 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C[C@@H](CCc1ccccc1)[NH2+]C1CC(C(N)=O)C1 ZINC000716722288 712570791 /nfs/dbraw/zinc/57/07/91/712570791.db2.gz HNYMXULJAMKBKK-XGNXJENSSA-N 1 0 246.354 1.861 10 0 BDAERO NC(=O)C1CC([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000716724302 712571161 /nfs/dbraw/zinc/57/11/61/712571161.db2.gz VDQHQDJEYFIFHT-UHFFFAOYSA-N 1 0 244.338 1.786 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000716732511 712571511 /nfs/dbraw/zinc/57/15/11/712571511.db2.gz VAXOPHULHHJDOP-RPTIHFLNSA-N 1 0 248.301 1.667 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccoc1 ZINC000716733015 712571600 /nfs/dbraw/zinc/57/16/00/712571600.db2.gz WVBCYKLTUXQEOK-CUUXFQNZSA-N 1 0 208.261 1.194 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2ccccc2)C1 ZINC000716732505 712571605 /nfs/dbraw/zinc/57/16/05/712571605.db2.gz UYEZBOIQQZJFHD-UHFFFAOYSA-N 1 0 204.273 1.040 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccoc1 ZINC000716733017 712571674 /nfs/dbraw/zinc/57/16/74/712571674.db2.gz WVBCYKLTUXQEOK-WFRXLMHJSA-N 1 0 208.261 1.194 10 0 BDAERO Cc1ccc(C)c(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716775545 712573150 /nfs/dbraw/zinc/57/31/50/712573150.db2.gz UGZXBHYCVIFODO-UHFFFAOYSA-N 1 0 232.327 1.657 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000716789952 712573683 /nfs/dbraw/zinc/57/36/83/712573683.db2.gz OORRKZRMFSXLMF-QCXCNERSSA-N 1 0 236.359 1.809 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000716789949 712573706 /nfs/dbraw/zinc/57/37/06/712573706.db2.gz OORRKZRMFSXLMF-CQLXCSJHSA-N 1 0 236.359 1.809 10 0 BDAERO CC1([NH3+])CCN(c2nccc3cccnc32)CC1 ZINC000716921895 712596197 /nfs/dbraw/zinc/59/61/97/712596197.db2.gz IVZJWQNKEOXYRA-UHFFFAOYSA-N 1 0 242.326 1.947 10 0 BDAERO FC1(F)CC[NH2+]C[C@H]1CNc1ccccn1 ZINC000717008060 712604002 /nfs/dbraw/zinc/60/40/02/712604002.db2.gz AVYITBKRCXKOOU-VIFPVBQESA-N 1 0 227.258 1.738 10 0 BDAERO CC(C)[C@@H](C)NC(=O)CC[NH2+]C(C)(C)C ZINC000037482736 712648521 /nfs/dbraw/zinc/64/85/21/712648521.db2.gz XEZZFFVTGDSQBH-SNVBAGLBSA-N 1 0 214.353 1.925 10 0 BDAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H](C)O)cc1 ZINC000717389607 712653201 /nfs/dbraw/zinc/65/32/01/712653201.db2.gz XKFHSOVLWKDBBH-MJVIPROJSA-N 1 0 237.343 1.641 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717653561 712663255 /nfs/dbraw/zinc/66/32/55/712663255.db2.gz XSIIVGSBPJWORG-MNOVXSKESA-N 1 0 242.363 1.291 10 0 BDAERO O=C(NCc1cnc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000718179959 712751849 /nfs/dbraw/zinc/75/18/49/712751849.db2.gz CAZCYUDLLSUYRM-ZCFIWIBFSA-N 1 0 245.735 1.022 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N(C)Cc1c(C)noc1C ZINC000037819169 712764735 /nfs/dbraw/zinc/76/47/35/712764735.db2.gz CFTIISFMDUAXMC-NSHDSACASA-N 1 0 239.319 1.377 10 0 BDAERO Cc1coc(C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000718537923 712771547 /nfs/dbraw/zinc/77/15/47/712771547.db2.gz ADEUCZMDJGZSMZ-SSDOTTSWSA-N 1 0 236.193 1.207 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ccnc2ncccc12 ZINC000718929342 712788364 /nfs/dbraw/zinc/78/83/64/712788364.db2.gz HPFVRZOWEZJXHO-UHFFFAOYSA-N 1 0 230.315 1.803 10 0 BDAERO C[C@H]1[C@@H]([NH3+])CCN1c1ccnc2ncccc12 ZINC000718930575 712788518 /nfs/dbraw/zinc/78/85/18/712788518.db2.gz PCWKNEBZABWYJJ-ONGXEEELSA-N 1 0 228.299 1.556 10 0 BDAERO [NH3+]C[C@H]1CCCN1c1ccnc2ncccc12 ZINC000718930802 712788808 /nfs/dbraw/zinc/78/88/08/712788808.db2.gz RNYJVHPHCQUMRC-SNVBAGLBSA-N 1 0 228.299 1.557 10 0 BDAERO [NH3+]CCCOCCNc1ccnc2ncccc12 ZINC000718984823 712791703 /nfs/dbraw/zinc/79/17/03/712791703.db2.gz FDKVPKSSYWAILP-UHFFFAOYSA-N 1 0 246.314 1.407 10 0 BDAERO C[NH2+]CCOCCNc1ccnc2ncccc12 ZINC000718985523 712791790 /nfs/dbraw/zinc/79/17/90/712791790.db2.gz HHQOFZHOHGQDAR-UHFFFAOYSA-N 1 0 246.314 1.278 10 0 BDAERO C[NH2+][C@H]1CCN(c2ccnc3ncccc32)C1 ZINC000718987959 712792430 /nfs/dbraw/zinc/79/24/30/712792430.db2.gz WWSIOSWBALSKRG-JTQLQIEISA-N 1 0 228.299 1.428 10 0 BDAERO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCC=CCCC1 ZINC000719104080 712797514 /nfs/dbraw/zinc/79/75/14/712797514.db2.gz WXYCSAJGZYMBPZ-RYUDHWBXSA-N 1 0 222.332 1.601 10 0 BDAERO COCC1CC([NH2+]Cc2cnc3n2CCC3)C1 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DDXFKTWWUBQKIS-ZDUSSCGKSA-N 1 0 220.316 1.328 10 0 BDAERO CC(C)[C@H](C)N(C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305484 343978225 /nfs/dbraw/zinc/97/82/25/343978225.db2.gz JJSZFWIZHBPKMX-GARJFASQSA-N 1 0 200.326 1.079 10 0 BDAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CO)CS1 ZINC000378721700 346813471 /nfs/dbraw/zinc/81/34/71/346813471.db2.gz QWMRYYHSOQSTLM-ZDCRXTMVSA-N 1 0 229.389 1.877 10 0 BDAERO OCC[C@H]1CC[N@H+](CCN2CCCCC2)C1 ZINC000161605552 349484510 /nfs/dbraw/zinc/48/45/10/349484510.db2.gz ILZOJHIISOPOAK-CYBMUJFWSA-N 1 0 226.364 1.177 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H]2CN(C)CCO2)cs1 ZINC000336651007 178022319 /nfs/dbraw/zinc/02/23/19/178022319.db2.gz HTYLSQGUSVMDJS-GFCCVEGCSA-N 1 0 240.372 1.477 10 0 BDAERO C[C@H](CO)[NH2+]CC1CCC(F)(F)CC1 ZINC000161952345 538920198 /nfs/dbraw/zinc/92/01/98/538920198.db2.gz XVLCKYWTRGKOBC-MRVPVSSYSA-N 1 0 207.264 1.782 10 0 BDAERO Cc1cccc(Cc2nc(C[NH3+])c[nH]2)c1 ZINC000062820775 187323520 /nfs/dbraw/zinc/32/35/20/187323520.db2.gz 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228.299 1.737 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1csc(C)n1 ZINC000307397262 398160377 /nfs/dbraw/zinc/16/03/77/398160377.db2.gz QOFCBOWZHSFGHH-SSDOTTSWSA-N 1 0 213.306 1.517 10 0 BDAERO Cc1cc(F)ccc1C[NH2+]CCc1nncn1C ZINC000104066203 178086939 /nfs/dbraw/zinc/08/69/39/178086939.db2.gz FWPIKIBHORVLFF-UHFFFAOYSA-N 1 0 248.305 1.595 10 0 BDAERO Cc1cc(F)ccc1Cn1cc[nH+]c1N ZINC000050568878 178087123 /nfs/dbraw/zinc/08/71/23/178087123.db2.gz BMUISQLGUHWCSY-UHFFFAOYSA-N 1 0 205.236 1.961 10 0 BDAERO Brc1ccc(NC2C[NH2+]C2)cn1 ZINC000232481519 398190461 /nfs/dbraw/zinc/19/04/61/398190461.db2.gz YULLOHWYQFCJQY-UHFFFAOYSA-N 1 0 228.093 1.228 10 0 BDAERO Cc1cc(N(C)C[C@@H]2CCC[NH2+]2)nc(Cl)n1 ZINC000095070920 178099170 /nfs/dbraw/zinc/09/91/70/178099170.db2.gz VNOJEDYBJURURO-VIFPVBQESA-N 1 0 240.738 1.627 10 0 BDAERO Cc1cc(N(C)[C@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000095070576 178101861 /nfs/dbraw/zinc/10/18/61/178101861.db2.gz OBWBVSBVOISOBC-QMMMGPOBSA-N 1 0 226.711 1.237 10 0 BDAERO 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C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000638892553 398203742 /nfs/dbraw/zinc/20/37/42/398203742.db2.gz JEXIUWWEUUTZQN-YPMHNXCESA-N 1 0 247.342 1.067 10 0 BDAERO Cc1cc(NC(=O)C[NH3+])c2ccccc2n1 ZINC000042238440 178130537 /nfs/dbraw/zinc/13/05/37/178130537.db2.gz CNTGKOLKOWADAF-UHFFFAOYSA-N 1 0 215.256 1.440 10 0 BDAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)on1 ZINC000042165370 178133704 /nfs/dbraw/zinc/13/37/04/178133704.db2.gz KABVQVWMTUIZEP-QMMMGPOBSA-N 1 0 209.249 1.064 10 0 BDAERO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)on1 ZINC000054305501 178134055 /nfs/dbraw/zinc/13/40/55/178134055.db2.gz NLHARGHVYJTEJA-SECBINFHSA-N 1 0 223.276 1.311 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]C2)ccc1O ZINC000148451166 178145946 /nfs/dbraw/zinc/14/59/46/178145946.db2.gz XSYPIEFYUKNHDW-SNVBAGLBSA-N 1 0 234.299 1.639 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)on1 ZINC000070502651 178147787 /nfs/dbraw/zinc/14/77/87/178147787.db2.gz YNKXXXOUXYXWMN-IUCAKERBSA-N 1 0 223.276 1.439 10 0 BDAERO Cc1cc(NC[C@](C)(O)c2cnn(C)c2)cc[nH+]1 ZINC000302570416 178170021 /nfs/dbraw/zinc/17/00/21/178170021.db2.gz PEZZKXKJBDRGQK-ZDUSSCGKSA-N 1 0 246.314 1.443 10 0 BDAERO Cc1cc(NC[C@H]2CCC[C@H]2O)cc[nH+]1 ZINC000229569347 178170475 /nfs/dbraw/zinc/17/04/75/178170475.db2.gz AROCLFBWHSYBTD-ZYHUDNBSSA-N 1 0 206.289 1.963 10 0 BDAERO Cc1cc(NCc2ccccn2)[nH+]cc1N ZINC000082533973 178173844 /nfs/dbraw/zinc/17/38/44/178173844.db2.gz IXGRDKQSMYSEPX-UHFFFAOYSA-N 1 0 214.272 1.979 10 0 BDAERO CCC(CC)C[N@H+](CC)CC[C@H](NC)C(N)=O ZINC000062461605 168348397 /nfs/dbraw/zinc/34/83/97/168348397.db2.gz ZJHSOQNDVMPSED-LBPRGKRZSA-N 1 0 243.395 1.208 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(CC(F)F)C1CC1 ZINC000386938781 398223006 /nfs/dbraw/zinc/22/30/06/398223006.db2.gz PDXWBZWRLVIAED-SECBINFHSA-N 1 0 234.290 1.616 10 0 BDAERO CCSCC[C@H](O)C1(C[NH3+])CCC1 ZINC000164110545 538931281 /nfs/dbraw/zinc/93/12/81/538931281.db2.gz WUEBSFOKEVUWGW-VIFPVBQESA-N 1 0 203.351 1.620 10 0 BDAERO Cc1cc(O[C@H]2C[NH2+]C[C@@H]2O)ccc1C(C)C ZINC000104230961 178214852 /nfs/dbraw/zinc/21/48/52/178214852.db2.gz RBPQGJGNIIQIIN-KBPBESRZSA-N 1 0 235.327 1.830 10 0 BDAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)cs1 ZINC000335389716 178230484 /nfs/dbraw/zinc/23/04/84/178230484.db2.gz ZKYYAHYILRBOBM-MWLCHTKSSA-N 1 0 238.356 1.986 10 0 BDAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)nn1C ZINC000294050025 178230658 /nfs/dbraw/zinc/23/06/58/178230658.db2.gz GPXOBIRLKNCRRL-GMTAPVOTSA-N 1 0 223.320 1.557 10 0 BDAERO COc1cc(F)ccc1NC1=[NH+]CCN1 ZINC000165695481 538936942 /nfs/dbraw/zinc/93/69/42/538936942.db2.gz ZDGSAGDFVQNUIG-UHFFFAOYSA-N 1 0 209.224 1.205 10 0 BDAERO Cc1cc([C@@H]2C[C@]2(C[NH3+])CO)ccc1F ZINC000070500472 178242933 /nfs/dbraw/zinc/24/29/33/178242933.db2.gz GRYJBZZLCPLQSP-JQWIXIFHSA-N 1 0 209.264 1.559 10 0 BDAERO C=CC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616571199 538938088 /nfs/dbraw/zinc/93/80/88/538938088.db2.gz PTENHUPJUFIPKD-OLZOCXBDSA-N 1 0 230.311 1.516 10 0 BDAERO CC(=O)N1CCC2(CCCC[C@H]2[NH3+])CC1 ZINC000616569636 538938127 /nfs/dbraw/zinc/93/81/27/538938127.db2.gz BPXKJAUWQCPGQA-LLVKDONJSA-N 1 0 210.321 1.516 10 0 BDAERO CCC(CC)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000085790350 168362026 /nfs/dbraw/zinc/36/20/26/168362026.db2.gz YFBDNLCAAKULLL-LBPRGKRZSA-N 1 0 214.353 1.343 10 0 BDAERO Cc1cc2c(ncnc2N2CCC[C@@H]2C[NH3+])s1 ZINC000111237571 178279832 /nfs/dbraw/zinc/27/98/32/178279832.db2.gz ZDQAMZZJDGEHTB-SECBINFHSA-N 1 0 248.355 1.927 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2(C)C)[C@H]1C ZINC000336778174 398244108 /nfs/dbraw/zinc/24/41/08/398244108.db2.gz KNVNARWZNKCKBF-RCWTZXSCSA-N 1 0 224.348 1.678 10 0 BDAERO CC[C@H]([NH2+][C@H](C)Cn1cncn1)C(C)C ZINC000167079008 538939896 /nfs/dbraw/zinc/93/98/96/538939896.db2.gz MJEAQTKRTSJMAN-MNOVXSKESA-N 1 0 210.325 1.691 10 0 BDAERO CO[C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)C(C)C ZINC000381283522 398247671 /nfs/dbraw/zinc/24/76/71/398247671.db2.gz LUJIYUHGEGPQGK-GHMZBOCLSA-N 1 0 230.352 1.147 10 0 BDAERO Cc1cc2nnc(CCCCC[NH3+])n2cn1 ZINC000050194530 178304855 /nfs/dbraw/zinc/30/48/55/178304855.db2.gz FIXVLJFIPWWHAF-UHFFFAOYSA-N 1 0 219.292 1.104 10 0 BDAERO Cc1cc2c(n1[C@@H](C)C(N)=O)CCC[C@@H]2[NH3+] ZINC000041730873 178292759 /nfs/dbraw/zinc/29/27/59/178292759.db2.gz MRXIVALKEGLGLB-WPRPVWTQSA-N 1 0 221.304 1.179 10 0 BDAERO CC[NH2+][C@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C ZINC000168070539 538944847 /nfs/dbraw/zinc/94/48/47/538944847.db2.gz VRBMJBYLEISNOQ-QWRGUYRKSA-N 1 0 248.392 1.045 10 0 BDAERO Cc1cc2nnc([C@@]3(C)CCC[NH2+]C3)n2cn1 ZINC000062871602 178307113 /nfs/dbraw/zinc/30/71/13/178307113.db2.gz GRDGNDMRFUVBTE-LBPRGKRZSA-N 1 0 231.303 1.074 10 0 BDAERO Cc1cc2nnc([C@]3(C)CCC[NH2+]C3)n2cn1 ZINC000062871601 178307852 /nfs/dbraw/zinc/30/78/52/178307852.db2.gz GRDGNDMRFUVBTE-GFCCVEGCSA-N 1 0 231.303 1.074 10 0 BDAERO Cc1ccc(-n2cc(C[NH3+])nn2)cc1C ZINC000050224122 178346095 /nfs/dbraw/zinc/34/60/95/178346095.db2.gz LVBPWIMLDVNBCC-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000381389870 398255290 /nfs/dbraw/zinc/25/52/90/398255290.db2.gz RQLSNSGFAYJQBU-RMPHRYRLSA-N 1 0 222.332 1.371 10 0 BDAERO CCC(CC)[N@H+](C)[C@]1(CN)CN2CCC1CC2 ZINC000036788866 168369443 /nfs/dbraw/zinc/36/94/43/168369443.db2.gz WHJSYZYYHWSWRN-CQSZACIVSA-N 1 0 239.407 1.530 10 0 BDAERO CCC(CC)[N@H+](C)[C@@]1(CN)CN2CCC1CC2 ZINC000036788867 168369475 /nfs/dbraw/zinc/36/94/75/168369475.db2.gz WHJSYZYYHWSWRN-AWEZNQCLSA-N 1 0 239.407 1.530 10 0 BDAERO CCC(CC)N(C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305487 168369807 /nfs/dbraw/zinc/36/98/07/168369807.db2.gz CYWITRINUMBAKA-WDEREUQCSA-N 1 0 200.326 1.223 10 0 BDAERO Cc1ccc(=O)n(CCCC[NH2+]CC(C)C)n1 ZINC000061811055 178360605 /nfs/dbraw/zinc/36/06/05/178360605.db2.gz RARYYUKGWRPYNK-UHFFFAOYSA-N 1 0 237.347 1.578 10 0 BDAERO Cc1ccc(Br)cc1[C@@H](O)C[NH3+] ZINC000083256337 178362197 /nfs/dbraw/zinc/36/21/97/178362197.db2.gz PUMQBDKVAPURBC-VIFPVBQESA-N 1 0 230.105 1.750 10 0 BDAERO Cc1ccc(-n2nnnc2[C@H](C)[NH3+])cc1C ZINC000062493958 178350714 /nfs/dbraw/zinc/35/07/14/178350714.db2.gz YJYWFJFRLXDPDT-VIFPVBQESA-N 1 0 217.276 1.299 10 0 BDAERO Cc1ccc(-n2nnnc2[C@H](C)[NH3+])c(C)c1 ZINC000062494057 178350897 /nfs/dbraw/zinc/35/08/97/178350897.db2.gz XWQCYELGHGGHKJ-VIFPVBQESA-N 1 0 217.276 1.299 10 0 BDAERO CCC(CC)N(CC[NH3+])[C@@H]1CCCCNC1=O ZINC000104318459 168373194 /nfs/dbraw/zinc/37/31/94/168373194.db2.gz BJHVYWARYDINKZ-GFCCVEGCSA-N 1 0 241.379 1.104 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000042526212 168374038 /nfs/dbraw/zinc/37/40/38/168374038.db2.gz BDBSLRAJDUSRLN-ZDUSSCGKSA-N 1 0 242.363 1.123 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@H](O)c1ccns1 ZINC000404459293 538955780 /nfs/dbraw/zinc/95/57/80/538955780.db2.gz YTAFXZFQHQKELU-BDAKNGLRSA-N 1 0 200.307 1.552 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000071140078 178397232 /nfs/dbraw/zinc/39/72/32/178397232.db2.gz GRGZLEKXYJMZOJ-NSHDSACASA-N 1 0 248.326 1.477 10 0 BDAERO Cc1ccsc1[C@@H]([NH3+])[C@H](C)S(C)(=O)=O ZINC000167675236 346830843 /nfs/dbraw/zinc/83/08/43/346830843.db2.gz JVHAQSSJFYXODE-YUMQZZPRSA-N 1 0 233.358 1.489 10 0 BDAERO CC[C@@H](C[NH3+])[C@H](O)c1cc(C)ns1 ZINC000404454334 538955545 /nfs/dbraw/zinc/95/55/45/538955545.db2.gz IOEMQOPNWAFHAX-CBAPKCEASA-N 1 0 200.307 1.470 10 0 BDAERO Cc1cc([C@H](O)C(C)(C)C[NH3+])sn1 ZINC000404472427 538955602 /nfs/dbraw/zinc/95/56/02/538955602.db2.gz RZTWLPACBFTPSA-QMMMGPOBSA-N 1 0 200.307 1.470 10 0 BDAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000528760375 262851606 /nfs/dbraw/zinc/85/16/06/262851606.db2.gz SMFBZULFVQGNQQ-PRSXHHODSA-N 1 0 241.375 1.939 10 0 BDAERO CCc1nn(C)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180147420 538957458 /nfs/dbraw/zinc/95/74/58/538957458.db2.gz DROCKZIQVVOCLK-CYBMUJFWSA-N 1 0 248.374 1.263 10 0 BDAERO CCC(CC)NC(=O)CN[C@H](C)CC[NH+](C)C ZINC000049557076 168377223 /nfs/dbraw/zinc/37/72/23/168377223.db2.gz LRQATFLVFGQDOL-LLVKDONJSA-N 1 0 243.395 1.221 10 0 BDAERO C[C@@H]1COC[C@H](C)[N@H+]1[C@H]1CCSC1 ZINC000306651528 361856372 /nfs/dbraw/zinc/85/63/72/361856372.db2.gz GBKFMEUDQXPVFU-AEJSXWLSSA-N 1 0 201.335 1.601 10 0 BDAERO Nc1ccccc1C(=O)OCC[C@H]1CCCC[NH2+]1 ZINC000001996127 342714147 /nfs/dbraw/zinc/71/41/47/342714147.db2.gz BMIJYAZXNZEMLI-LLVKDONJSA-N 1 0 248.326 1.958 10 0 in-man BDAERO CCC(CC)NC(=O)[C@H](C)N(C)C[C@@H](C)C[NH3+] ZINC000042455853 168383206 /nfs/dbraw/zinc/38/32/06/168383206.db2.gz QOPLCPZIXJUHSU-QWRGUYRKSA-N 1 0 243.395 1.206 10 0 BDAERO CC[N@@H+]1CCC[C@H](c2[nH]nc3c2CCN3)C1 ZINC000003708023 342736850 /nfs/dbraw/zinc/73/68/50/342736850.db2.gz LYFRXDYFVOSPDU-VIFPVBQESA-N 1 0 220.320 1.577 10 0 BDAERO CCS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000003705661 342736981 /nfs/dbraw/zinc/73/69/81/342736981.db2.gz PECBAIJATAJPMN-QMMMGPOBSA-N 1 0 213.302 1.500 10 0 BDAERO CCC(CC)NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019427273 168385042 /nfs/dbraw/zinc/38/50/42/168385042.db2.gz NHVIWFLTEQALFT-ZJUUUORDSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]C1(CNC(=O)C2CC(C)C2)CCC1 ZINC000630002111 361889645 /nfs/dbraw/zinc/88/96/45/361889645.db2.gz PNCGJUHXTMWWCJ-UHFFFAOYSA-N 1 0 210.321 1.291 10 0 BDAERO CC1(C)C[NH2+]Cc2cc([N+](=O)[O-])cnc21 ZINC000145627309 342761180 /nfs/dbraw/zinc/76/11/80/342761180.db2.gz LMXJDWSXQAWBRT-UHFFFAOYSA-N 1 0 207.233 1.371 10 0 BDAERO Cc1cccc(CCN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000335437573 398287624 /nfs/dbraw/zinc/28/76/24/398287624.db2.gz SVFCKBKXIYQOFS-HNNXBMFYSA-N 1 0 245.370 1.713 10 0 BDAERO [NH3+]CCCCS(=O)(=O)CCCC(F)(F)F ZINC000148323184 342790291 /nfs/dbraw/zinc/79/02/91/342790291.db2.gz DTZFGVUUQZWRLM-UHFFFAOYSA-N 1 0 247.282 1.483 10 0 BDAERO C[S@](=O)(=NC#N)c1ccc(C[NH3+])cc1F ZINC000148941037 342792601 /nfs/dbraw/zinc/79/26/01/342792601.db2.gz FENPIUFTWVKXST-OAHLLOKOSA-N 1 0 227.264 1.222 10 0 BDAERO CCCN(CCC)C[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040637317 538971774 /nfs/dbraw/zinc/97/17/74/538971774.db2.gz LMFKKIQIJHHNCQ-RYUDHWBXSA-N 1 0 214.353 1.485 10 0 BDAERO CC[NH2+]CC[C@@H](CC(=O)OCC)C(=O)OCC ZINC000150267280 342799507 /nfs/dbraw/zinc/79/95/07/342799507.db2.gz VMGHMNGNMTYIHL-JTQLQIEISA-N 1 0 245.319 1.119 10 0 BDAERO CCCc1ccc2c(c1)N1CC[NH2+]C[C@@H]1NC2=O ZINC000035924027 342808266 /nfs/dbraw/zinc/80/82/66/342808266.db2.gz ANLHMHPMHIAWQH-CYBMUJFWSA-N 1 0 245.326 1.118 10 0 BDAERO CCC[C@H](C)C[NH2+]C1CCN(CCO)CC1 ZINC000379440573 538977809 /nfs/dbraw/zinc/97/78/09/538977809.db2.gz JSKJKCACMKTKDP-LBPRGKRZSA-N 1 0 228.380 1.469 10 0 BDAERO CCC(CC)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000026513312 168392536 /nfs/dbraw/zinc/39/25/36/168392536.db2.gz FKNRJQJZCKCAIJ-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO COc1cccc2cc(C[NH3+])c(=O)n(C)c21 ZINC000258985770 342811500 /nfs/dbraw/zinc/81/15/00/342811500.db2.gz VSJNAOGBUOVXNO-UHFFFAOYSA-N 1 0 218.256 1.006 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2CCC(C)CC2)C1 ZINC000040637278 538972302 /nfs/dbraw/zinc/97/23/02/538972302.db2.gz AYXAPMDCEKTZSM-RYUDHWBXSA-N 1 0 212.337 1.095 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000381939141 398288267 /nfs/dbraw/zinc/28/82/67/398288267.db2.gz AMORPJJWBATTOZ-NXEZZACHSA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CCCOC1 ZINC000378722961 538973488 /nfs/dbraw/zinc/97/34/88/538973488.db2.gz RRAUVJKXRINSKZ-FRRDWIJNSA-N 1 0 227.348 1.816 10 0 BDAERO C[C@H]1C[C@]2(C[NH+]=C(N)N2Cc2ccccc2)CO1 ZINC000401485576 342827932 /nfs/dbraw/zinc/82/79/32/342827932.db2.gz XCJHRIXIYMAQBQ-FZMZJTMJSA-N 1 0 245.326 1.574 10 0 BDAERO [NH3+][C@@H]1CC=C(C(=O)c2ccncc2F)C1 ZINC000226563524 342829902 /nfs/dbraw/zinc/82/99/02/342829902.db2.gz PADQTYGHQOKUSH-JGVFFNPUSA-N 1 0 206.220 1.307 10 0 BDAERO C[C@H]1C[NH+]=C(N[C@H]2CCCOC2)S1 ZINC000071023295 361930913 /nfs/dbraw/zinc/93/09/13/361930913.db2.gz KPZFUMQFTROLBX-YUMQZZPRSA-N 1 0 200.307 1.246 10 0 BDAERO Cc1c[nH+]ccc1NC[C@H](C)N1CCOCC1 ZINC000191978532 538993775 /nfs/dbraw/zinc/99/37/75/538993775.db2.gz KFQQLGXAKNKVOF-LBPRGKRZSA-N 1 0 235.331 1.523 10 0 BDAERO Cc1c[nH+]ccc1N[C@@H]1CCC[C@H](O)C1 ZINC000379925267 538982000 /nfs/dbraw/zinc/98/20/00/538982000.db2.gz KWWZTOBWNOPEPJ-MNOVXSKESA-N 1 0 206.289 1.527 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000036785730 398291982 /nfs/dbraw/zinc/29/19/82/398291982.db2.gz MNJUSNCKCLTBQP-KOLCDFICSA-N 1 0 210.321 1.243 10 0 BDAERO CC[N@H+]1C[C@H](Nc2ccccn2)[C@@H](C)C1 ZINC000379979753 538983438 /nfs/dbraw/zinc/98/34/38/538983438.db2.gz GSHMIUWWXNBUNW-QWRGUYRKSA-N 1 0 205.305 1.834 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000189742262 538984887 /nfs/dbraw/zinc/98/48/87/538984887.db2.gz ASMOZIOLYZZICM-AGIUHOORSA-N 1 0 227.348 1.912 10 0 BDAERO CCOc1ccc(C[NH2+][C@H](C)COC)nc1 ZINC000381733163 539006290 /nfs/dbraw/zinc/00/62/90/539006290.db2.gz NWERGOZZFSINPG-SNVBAGLBSA-N 1 0 224.304 1.605 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)CC(C)(C)SC ZINC000385161537 539012891 /nfs/dbraw/zinc/01/28/91/539012891.db2.gz ABAUTCYZMHUFHA-BDAKNGLRSA-N 1 0 205.367 1.864 10 0 BDAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cn[nH]c1 ZINC000386583718 539013647 /nfs/dbraw/zinc/01/36/47/539013647.db2.gz HYGKHYBGASTDCO-MELADBBJSA-N 1 0 249.358 1.925 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ncccn2)C1 ZINC000389999743 539019858 /nfs/dbraw/zinc/01/98/58/539019858.db2.gz RYOSZFXKUHRLCQ-ZJUUUORDSA-N 1 0 206.293 1.229 10 0 BDAERO [NH3+]C[C@](O)(C1CCCCC1)C(F)(F)F ZINC000107469910 539021983 /nfs/dbraw/zinc/02/19/83/539021983.db2.gz QULBKGBGXFWVET-QMMMGPOBSA-N 1 0 211.227 1.819 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@H]2N)cc1C ZINC000211542578 539022144 /nfs/dbraw/zinc/02/21/44/539022144.db2.gz GHVSKSGHKHMVCT-QWRGUYRKSA-N 1 0 206.289 1.018 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCNC2=O)ccc1Cl ZINC000390471658 539022278 /nfs/dbraw/zinc/02/22/78/539022278.db2.gz JLRXIGSMYOVVEP-LLVKDONJSA-N 1 0 238.718 1.627 10 0 BDAERO [NH3+]C[C@@](O)(C1CCCCC1)C(F)(F)F ZINC000107469912 539022327 /nfs/dbraw/zinc/02/23/27/539022327.db2.gz QULBKGBGXFWVET-MRVPVSSYSA-N 1 0 211.227 1.819 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ncc(C)cn2)C1 ZINC000390654008 539026998 /nfs/dbraw/zinc/02/69/98/539026998.db2.gz QBHUNAGZCKTGEW-GHMZBOCLSA-N 1 0 220.320 1.537 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+]C2CCCC2)[C@@H](C)C1 ZINC000390653994 539027124 /nfs/dbraw/zinc/02/71/24/539027124.db2.gz QAMLDILLYALSAH-GWCFXTLKSA-N 1 0 224.348 1.776 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCc2nccn2C1)C1CC1 ZINC000390775116 539027317 /nfs/dbraw/zinc/02/73/17/539027317.db2.gz ZTTOISWHTFYDKX-VXGBXAGGSA-N 1 0 219.332 1.976 10 0 BDAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC1CCCC1)C2 ZINC000709879954 539027683 /nfs/dbraw/zinc/02/76/83/539027683.db2.gz IKKDYAVRZMIKQW-UMNHJUIQSA-N 1 0 237.347 1.450 10 0 BDAERO COC(=O)[C@H]1C[N@H+](C)[C@@]2(C1)CCCCO2 ZINC000238363644 259325457 /nfs/dbraw/zinc/32/54/57/259325457.db2.gz NIXAEEMZDYRQIB-KOLCDFICSA-N 1 0 213.277 1.008 10 0 BDAERO C[C@@H]1CSCCN1[C@@H](C[NH3+])C(F)(F)F ZINC000069760604 342839659 /nfs/dbraw/zinc/83/96/59/342839659.db2.gz ORAUWZWXRUKORC-RQJHMYQMSA-N 1 0 228.283 1.313 10 0 BDAERO CSCCCCNC(=O)C1CCC([NH3+])CC1 ZINC000157730480 342839940 /nfs/dbraw/zinc/83/99/40/342839940.db2.gz YGZWYNNTVJGBQP-UHFFFAOYSA-N 1 0 244.404 1.763 10 0 BDAERO C[C@@H]1CCC[C@H]([N@H+](C)CC(N)=S)C1 ZINC000042493131 362003435 /nfs/dbraw/zinc/00/34/35/362003435.db2.gz YFKFYQKVHCDOMS-BDAKNGLRSA-N 1 0 200.351 1.783 10 0 BDAERO FC(F)O[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000229922456 342855348 /nfs/dbraw/zinc/85/53/48/342855348.db2.gz OJQDJMCCVDKWRT-ZETCQYMHSA-N 1 0 207.220 1.137 10 0 BDAERO OC1(c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000059792022 342864518 /nfs/dbraw/zinc/86/45/18/342864518.db2.gz KGTSBAKPGYAVRY-UHFFFAOYSA-N 1 0 217.721 1.973 10 0 BDAERO [NH3+][C@H]1CSC[C@H]1CC1CCOCC1 ZINC000134574180 342869500 /nfs/dbraw/zinc/86/95/00/342869500.db2.gz JJERAFAKEWAYEK-ZJUUUORDSA-N 1 0 201.335 1.493 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CC1(C)C ZINC000233001013 342894526 /nfs/dbraw/zinc/89/45/26/342894526.db2.gz LMMYYWGNIRWGHO-VXGBXAGGSA-N 1 0 229.364 1.800 10 0 BDAERO c1cnc2cccc([C@H]3COCC[NH2+]3)c2c1 ZINC000309159547 342898065 /nfs/dbraw/zinc/89/80/65/342898065.db2.gz ZTBFMRLUPRNWFZ-CYBMUJFWSA-N 1 0 214.268 1.896 10 0 BDAERO [NH3+]Cc1cc(Br)ccc1NCCO ZINC000165226822 342886442 /nfs/dbraw/zinc/88/64/42/342886442.db2.gz CKOMZNZGYJTYBW-UHFFFAOYSA-N 1 0 245.120 1.312 10 0 BDAERO CC[C@H](C(N)=S)[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000219682326 342889833 /nfs/dbraw/zinc/88/98/33/342889833.db2.gz BFRBHRWWFPJAKU-XHNCKOQMSA-N 1 0 200.351 1.639 10 0 BDAERO CCC(CC)[C@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000104438388 168405911 /nfs/dbraw/zinc/40/59/11/168405911.db2.gz DXNWBVUXECHFEU-JTQLQIEISA-N 1 0 241.379 1.944 10 0 BDAERO CC[NH2+]CCCNc1ncnc(CC)c1F ZINC000233512562 342910073 /nfs/dbraw/zinc/91/00/73/342910073.db2.gz CQYUTAPDCXYFBR-UHFFFAOYSA-N 1 0 226.299 1.590 10 0 BDAERO Clc1csc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000165305097 342904126 /nfs/dbraw/zinc/90/41/26/342904126.db2.gz ZFFPUNCHJIWVHU-ZCFIWIBFSA-N 1 0 217.725 1.960 10 0 BDAERO CCOC(=O)N1CC[NH2+]C[C@@H]1C(C)(C)C ZINC000407355345 342926902 /nfs/dbraw/zinc/92/69/02/342926902.db2.gz DPKMNPWZDCMXQZ-SECBINFHSA-N 1 0 214.309 1.463 10 0 BDAERO COc1cc([C@H](F)C[NH3+])cc(OC)c1OC ZINC000309230158 342915659 /nfs/dbraw/zinc/91/56/59/342915659.db2.gz WJJFRQWHMSRSJV-MRVPVSSYSA-N 1 0 229.251 1.682 10 0 BDAERO CS[C@H]1C[NH2+]C[C@@H]1N1CCCCCC1 ZINC000134889920 342917539 /nfs/dbraw/zinc/91/75/39/342917539.db2.gz VVKQLHZTJCXEJW-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO CN1CCC[NH+]=C1NCC=C(Cl)Cl ZINC000407304145 342920290 /nfs/dbraw/zinc/92/02/90/342920290.db2.gz NPUAZRZWPGOCEN-UHFFFAOYSA-N 1 0 222.119 1.587 10 0 BDAERO COC[C@@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000234863834 536638546 /nfs/dbraw/zinc/63/85/46/536638546.db2.gz CCXJMSLVSZPWBK-HTAVTVPLSA-N 1 0 215.337 1.410 10 0 BDAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313055531 259330155 /nfs/dbraw/zinc/33/01/55/259330155.db2.gz AAASONRBJQJKHL-WDEREUQCSA-N 1 0 245.363 1.177 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cccs1 ZINC000037476267 398327655 /nfs/dbraw/zinc/32/76/55/398327655.db2.gz LRKBIUVCHRRBKY-SFYZADRCSA-N 1 0 212.318 1.663 10 0 BDAERO C[C@H]1C[C@H](C(=O)NCc2ccccc2)CC[NH2+]1 ZINC000235684800 398339573 /nfs/dbraw/zinc/33/95/73/398339573.db2.gz YMYXCCSZUXZJMT-WCQYABFASA-N 1 0 232.327 1.691 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc21 ZINC000037566215 398331811 /nfs/dbraw/zinc/33/18/11/398331811.db2.gz RJUKJKBPORQLHC-AAEUAGOBSA-N 1 0 232.327 1.570 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc21 ZINC000037566146 398331866 /nfs/dbraw/zinc/33/18/66/398331866.db2.gz CSLBJKJNTAQDCH-VHRBIJSZSA-N 1 0 246.354 1.816 10 0 BDAERO CC[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)CCO1 ZINC000037626286 398333308 /nfs/dbraw/zinc/33/33/08/398333308.db2.gz WBOMIPUPRLINJH-HTAVTVPLSA-N 1 0 240.347 1.141 10 0 BDAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(N)=O)cc1 ZINC000019384788 342947190 /nfs/dbraw/zinc/94/71/90/342947190.db2.gz GQTSFLXMZXMGBH-SNVBAGLBSA-N 1 0 220.316 1.946 10 0 BDAERO CCc1cc(N2CC[C@H](CCO)C2)cc[nH+]1 ZINC000307783855 529536082 /nfs/dbraw/zinc/53/60/82/529536082.db2.gz NUKULUGOFFGHKW-LLVKDONJSA-N 1 0 220.316 1.853 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](O)C(C)(C)C ZINC000305984394 259337312 /nfs/dbraw/zinc/33/73/12/259337312.db2.gz GAKAMPWGHNRZSY-OLZOCXBDSA-N 1 0 244.423 1.959 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc[nH]1 ZINC000176966601 346919166 /nfs/dbraw/zinc/91/91/66/346919166.db2.gz FJXRKGONNPDHEF-LLVKDONJSA-N 1 0 235.331 1.571 10 0 BDAERO CCCCOCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308809621 346921738 /nfs/dbraw/zinc/92/17/38/346921738.db2.gz PRQPHZOJNYAWKD-LLVKDONJSA-N 1 0 217.353 1.800 10 0 BDAERO Cc1nn(C)cc1CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235340220 187229464 /nfs/dbraw/zinc/22/94/64/187229464.db2.gz ZMCAAROCGYLHHB-ZWNOBZJWSA-N 1 0 236.363 1.288 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1ccc(CO)cc1 ZINC000139872299 343067881 /nfs/dbraw/zinc/06/78/81/343067881.db2.gz LIUAOVCRRLEOFF-CYBMUJFWSA-N 1 0 220.316 1.145 10 0 BDAERO [NH3+][C@@H](CO)c1ccc(O)c2ccccc21 ZINC000072197942 343068690 /nfs/dbraw/zinc/06/86/90/343068690.db2.gz ASNFRVWOVZHHAR-NSHDSACASA-N 1 0 203.241 1.538 10 0 BDAERO C[C@H]1C[NH+]=C(NC[C@@H]2CCSC2)S1 ZINC000228589112 362006479 /nfs/dbraw/zinc/00/64/79/362006479.db2.gz JGQDSZAWXAMCRS-YUMQZZPRSA-N 1 0 216.375 1.820 10 0 BDAERO COc1ccc2[nH+]cc(N)c(N)c2c1F ZINC000584882096 343081198 /nfs/dbraw/zinc/08/11/98/343081198.db2.gz LISBPPVQRFEUFG-UHFFFAOYSA-N 1 0 207.208 1.377 10 0 BDAERO CCNc1c(N)c[nH+]c2c(C)ccc(OC)c12 ZINC000584882373 343084579 /nfs/dbraw/zinc/08/45/79/343084579.db2.gz DYZQVUDJLBVDPM-UHFFFAOYSA-N 1 0 231.299 1.988 10 0 BDAERO CCNc1c(N)c[nH+]c2c(C)cccc12 ZINC000584882724 343085705 /nfs/dbraw/zinc/08/57/05/343085705.db2.gz NRDJJANTTHAHPP-UHFFFAOYSA-N 1 0 201.273 1.979 10 0 BDAERO CC(=O)CC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000106225679 259349393 /nfs/dbraw/zinc/34/93/93/259349393.db2.gz BUCSNEUCUKLJJF-ZDUSSCGKSA-N 1 0 235.331 1.808 10 0 BDAERO COC(=O)[C@@H](c1ccc(O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000013747240 343103218 /nfs/dbraw/zinc/10/32/18/343103218.db2.gz XVXFNANJMMTNSO-STQMWFEESA-N 1 0 249.310 1.791 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1ccnc2cccnc21 ZINC000341012739 187232104 /nfs/dbraw/zinc/23/21/04/187232104.db2.gz IDNXDIRPFPKILQ-SNVBAGLBSA-N 1 0 230.315 1.447 10 0 BDAERO CC(C)c1noc(C2=C[C@@H](C)C[NH2+]C2)n1 ZINC000013887308 343107179 /nfs/dbraw/zinc/10/71/79/343107179.db2.gz DFPILLSJEIXHNK-MRVPVSSYSA-N 1 0 207.277 1.816 10 0 BDAERO COc1ccc([Si]2(C)[NH2+]C[C@H](C)S2)cc1 ZINC000195784967 187233898 /nfs/dbraw/zinc/23/38/98/187233898.db2.gz ZRVJURASILCLHO-HJULIUOESA-N 1 0 239.416 1.699 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000049753026 343117047 /nfs/dbraw/zinc/11/70/47/343117047.db2.gz IBYGLRKVWBQZCD-GHMZBOCLSA-N 1 0 220.316 1.514 10 0 BDAERO [NH3+]C1CCC(C(=O)Nc2ccccn2)CC1 ZINC000257656861 343126222 /nfs/dbraw/zinc/12/62/22/343126222.db2.gz DAJRWFCPIVBONK-UHFFFAOYSA-N 1 0 219.288 1.538 10 0 BDAERO CSCCC[N@H+](C)CC1CC(O)C1 ZINC000130247783 136271673 /nfs/dbraw/zinc/27/16/73/136271673.db2.gz BTXXXORWATUUIH-UHFFFAOYSA-N 1 0 203.351 1.442 10 0 BDAERO CC[NH+](CC)CCn1cc(Br)cn1 ZINC000038074747 343143551 /nfs/dbraw/zinc/14/35/51/343143551.db2.gz WQTCAALJJAUNEH-UHFFFAOYSA-N 1 0 246.152 1.987 10 0 BDAERO C[C@]1(C(=O)N[C@H]2CC=CCC2)CCCC[NH2+]1 ZINC000127531257 343178416 /nfs/dbraw/zinc/17/84/16/343178416.db2.gz JOYXVWSDKJATFX-WCQYABFASA-N 1 0 222.332 1.744 10 0 BDAERO CC(=O)c1ccc(NC(=O)[C@@H](C)CC[NH3+])cc1 ZINC000076616084 187241558 /nfs/dbraw/zinc/24/15/58/187241558.db2.gz LRYDXOCFIXKWRA-VIFPVBQESA-N 1 0 234.299 1.813 10 0 BDAERO COC(=O)c1ccc(N2CCC[C@@H]2C[NH3+])nc1C ZINC000124454458 343168002 /nfs/dbraw/zinc/16/80/02/343168002.db2.gz WADVLKMISIMEHI-SNVBAGLBSA-N 1 0 249.314 1.104 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000126049869 343168240 /nfs/dbraw/zinc/16/82/40/343168240.db2.gz YBMCTLAEBBFJKA-IJLUTSLNSA-N 1 0 226.364 1.925 10 0 BDAERO C[C@@H]1CCN(c2ccnc(N(C)C)n2)[C@H](C[NH3+])C1 ZINC000261551814 136272553 /nfs/dbraw/zinc/27/25/53/136272553.db2.gz YPECDVSJVVNXHR-MNOVXSKESA-N 1 0 249.362 1.106 10 0 BDAERO CC(C)Oc1cncc(N(C)[C@@H](C)C[NH3+])n1 ZINC000125511694 343173486 /nfs/dbraw/zinc/17/34/86/343173486.db2.gz ONWSWAFEGWPCES-VIFPVBQESA-N 1 0 224.308 1.047 10 0 BDAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000159198631 343201962 /nfs/dbraw/zinc/20/19/62/343201962.db2.gz MNTZZHILTARINH-UTUOFQBUSA-N 1 0 239.315 1.403 10 0 BDAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000207378217 343223157 /nfs/dbraw/zinc/22/31/57/343223157.db2.gz PFPDGQVDOUENDF-IINYFYTJSA-N 1 0 209.314 1.546 10 0 BDAERO CC[C@H](C[NH3+])c1nc2nccnc2s1 ZINC000234046106 343215822 /nfs/dbraw/zinc/21/58/22/343215822.db2.gz TXUJXZQRJOYJNM-ZCFIWIBFSA-N 1 0 208.290 1.539 10 0 BDAERO COCc1ccccc1C[NH2+]C1COC1 ZINC000082488126 136276713 /nfs/dbraw/zinc/27/67/13/136276713.db2.gz BYBCCDQMTHBQGB-UHFFFAOYSA-N 1 0 207.273 1.321 10 0 BDAERO C[C@H](CC[NH3+])Nc1ncncc1Cl ZINC000163768177 136281189 /nfs/dbraw/zinc/28/11/89/136281189.db2.gz JXVWHRVROWTGMC-ZCFIWIBFSA-N 1 0 200.673 1.279 10 0 BDAERO C(c1nc2c(s1)CCC2)[C@H]1CCC[NH2+]1 ZINC000011883908 187250877 /nfs/dbraw/zinc/25/08/77/187250877.db2.gz HZWPKHFIDUWZHF-MRVPVSSYSA-N 1 0 208.330 1.926 10 0 BDAERO CC1(C)N(O)[N+](=O)[C@@]1(C)Br ZINC000013783879 187251163 /nfs/dbraw/zinc/25/11/63/187251163.db2.gz CGJLFDXRWNCGDW-RXMQYKEDSA-N 1 0 209.043 1.363 10 0 BDAERO COC[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023422 136283636 /nfs/dbraw/zinc/28/36/36/136283636.db2.gz KGTTZCRLZZZUBQ-YNEHKIRRSA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)[C@@](C)([NH3+])c1noc(C(F)(F)F)n1 ZINC000036765013 187249369 /nfs/dbraw/zinc/24/93/69/187249369.db2.gz UKIHUMYAXYARJR-SSDOTTSWSA-N 1 0 223.198 1.918 10 0 BDAERO CC#C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000145930229 343274375 /nfs/dbraw/zinc/27/43/75/343274375.db2.gz TYWYQFLELKMUTA-AWEZNQCLSA-N 1 0 214.312 1.484 10 0 BDAERO CC[C@H]([NH3+])c1cn(Cc2nccn2C(C)C)nn1 ZINC000641051788 362161208 /nfs/dbraw/zinc/16/12/08/362161208.db2.gz RUKYZLOZAHQDAJ-JTQLQIEISA-N 1 0 248.334 1.514 10 0 BDAERO NC(=[NH2+])c1cc(Cl)c2c(c1)OCCO2 ZINC000034937853 343281284 /nfs/dbraw/zinc/28/12/84/343281284.db2.gz AAIAVEWHEFOCGG-UHFFFAOYSA-N 1 0 212.636 1.395 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)C(=O)N(C)C ZINC000036852829 343325526 /nfs/dbraw/zinc/32/55/26/343325526.db2.gz QFHMNKHOXQWMNE-SKDRFNHKSA-N 1 0 248.326 1.446 10 0 BDAERO CC(C)[C@H](C)[NH2+]Cc1cnc2ccnn2c1 ZINC000309338214 343292058 /nfs/dbraw/zinc/29/20/58/343292058.db2.gz JNGXBAZOIHSDFA-JTQLQIEISA-N 1 0 218.304 1.863 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1C ZINC000069945037 343294546 /nfs/dbraw/zinc/29/45/46/343294546.db2.gz ZZQUECDHZVAETK-QWRGUYRKSA-N 1 0 212.337 1.905 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1NC(=O)[C@@H]1CCCO1 ZINC000022161225 187255316 /nfs/dbraw/zinc/25/53/16/187255316.db2.gz WZRWGDMKZGMOPQ-SKDRFNHKSA-N 1 0 234.299 1.824 10 0 BDAERO Cc1cc(N2CC[NH2+]CC2)c(C)cc1C=O ZINC000078009555 343316237 /nfs/dbraw/zinc/31/62/37/343316237.db2.gz JNUUWHVUFKIRBJ-UHFFFAOYSA-N 1 0 218.300 1.526 10 0 BDAERO C1CC1c1nnc2sc([C@H]3CCC[NH2+]C3)nn21 ZINC000032104530 187256925 /nfs/dbraw/zinc/25/69/25/187256925.db2.gz XNAQJOFWYKHRFV-QMMMGPOBSA-N 1 0 249.343 1.530 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cccs1 ZINC000038048923 343367905 /nfs/dbraw/zinc/36/79/05/343367905.db2.gz BGJJVELJAGCHGD-BDAKNGLRSA-N 1 0 224.329 1.748 10 0 BDAERO [NH3+]Cc1cccnc1-n1nnc2ccccc21 ZINC000034973539 187257104 /nfs/dbraw/zinc/25/71/04/187257104.db2.gz UXOAZZWIFISCMS-UHFFFAOYSA-N 1 0 225.255 1.274 10 0 BDAERO O=C1C[C@H]2CCC[C@@H](CN1)[N@@H+]2CC1CC1 ZINC000038343393 343374237 /nfs/dbraw/zinc/37/42/37/343374237.db2.gz UTQOWWMBSNDSOX-MNOVXSKESA-N 1 0 208.305 1.139 10 0 BDAERO COc1ccc([C@@]2(O)CC[NH2+][C@@H]2C)cc1 ZINC000039105573 187255591 /nfs/dbraw/zinc/25/55/91/187255591.db2.gz KVIBNUMXVZOOJU-BXKDBHETSA-N 1 0 207.273 1.265 10 0 BDAERO [NH3+]Cc1cn(Cc2ccsc2Cl)nn1 ZINC000641066714 362175723 /nfs/dbraw/zinc/17/57/23/362175723.db2.gz KRHRPLGUKBIJKB-UHFFFAOYSA-N 1 0 228.708 1.500 10 0 BDAERO O=[N+]1Cc2ccccc2[C@@H](O)C12CCCC2 ZINC000027556348 187255884 /nfs/dbraw/zinc/25/58/84/187255884.db2.gz RKKSUFSNELHBAZ-GFCCVEGCSA-N 1 0 217.268 1.976 10 0 BDAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cccc2c[nH]nc21 ZINC000037617795 343349490 /nfs/dbraw/zinc/34/94/90/343349490.db2.gz MTNYLZYMJJMIPC-SECBINFHSA-N 1 0 246.314 1.890 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000300385489 259358796 /nfs/dbraw/zinc/35/87/96/259358796.db2.gz NPOVJBGEIYYPEA-CSMHCCOUSA-N 1 0 211.227 1.688 10 0 BDAERO Cc1cc(Br)c2nc(C[NH3+])cn2c1 ZINC000036243566 187258893 /nfs/dbraw/zinc/25/88/93/187258893.db2.gz LYBROGPKCSRWLI-UHFFFAOYSA-N 1 0 240.104 1.864 10 0 BDAERO CCn1c2ccccc2nc1[C@H]([NH3+])[C@@H](C)O ZINC000036895927 187259179 /nfs/dbraw/zinc/25/91/79/187259179.db2.gz UFUZIGPEFSDGAM-LDYMZIIASA-N 1 0 219.288 1.437 10 0 BDAERO COc1ccc(OCc2ncon2)c(CC[NH3+])c1 ZINC000037720041 187259688 /nfs/dbraw/zinc/25/96/88/187259688.db2.gz HITAGZCOXJZTKT-UHFFFAOYSA-N 1 0 249.270 1.158 10 0 BDAERO CCOc1ccc2c(c1)CC[C@H]([NH3+])C2=O ZINC000039099330 343383099 /nfs/dbraw/zinc/38/30/99/343383099.db2.gz ZAIKULCELAXODW-NSHDSACASA-N 1 0 205.257 1.542 10 0 BDAERO Cc1csc([C@H](O)COCC[NH+](C)C)c1 ZINC000039111185 343385426 /nfs/dbraw/zinc/38/54/26/343385426.db2.gz GHIMXOTWYIHYGH-SNVBAGLBSA-N 1 0 229.345 1.668 10 0 BDAERO C[C@@H]1C[C@@H](C)[N@H+](CCC2CS(=O)(=O)C2)C1 ZINC000335687864 136323644 /nfs/dbraw/zinc/32/36/44/136323644.db2.gz VHLOCTWGFQFAIY-NXEZZACHSA-N 1 0 231.361 1.151 10 0 BDAERO CC(=O)Nc1ccc(C(=[NH2+])NO)cc1F ZINC000075848385 187261110 /nfs/dbraw/zinc/26/11/10/187261110.db2.gz IVRGINNHVNABQM-UHFFFAOYSA-N 1 0 211.196 1.088 10 0 BDAERO CO[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000148392513 343391006 /nfs/dbraw/zinc/39/10/06/343391006.db2.gz SXBFINKPTJKSJC-GFCCVEGCSA-N 1 0 206.289 1.064 10 0 BDAERO C[C@@H](O)C[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671393 343408504 /nfs/dbraw/zinc/40/85/04/343408504.db2.gz YVZVBESUFXMARG-HIFRSBDPSA-N 1 0 248.370 1.274 10 0 BDAERO CC(C)([NH3+])c1cn(CC2CC=CC2)nn1 ZINC000641079322 362191084 /nfs/dbraw/zinc/19/10/84/362191084.db2.gz KWRWOEAHFBBUQU-UHFFFAOYSA-N 1 0 206.293 1.438 10 0 BDAERO CC(C)CC1([NH+]2CCNCC2)CCOCC1 ZINC000202391181 343424247 /nfs/dbraw/zinc/42/42/47/343424247.db2.gz WBPPWUDHYAOZQS-UHFFFAOYSA-N 1 0 226.364 1.487 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1[C@@H](C)[C@@H](C)[NH3+] ZINC000042450650 343438902 /nfs/dbraw/zinc/43/89/02/343438902.db2.gz QBBMKSDBACKGMZ-CHWFTXMASA-N 1 0 200.326 1.221 10 0 BDAERO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)c1nccs1 ZINC000151924819 343446115 /nfs/dbraw/zinc/44/61/15/343446115.db2.gz ADKNZIIXEHCGNT-SFYZADRCSA-N 1 0 225.317 1.233 10 0 BDAERO Cc1nccc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000082593022 343450289 /nfs/dbraw/zinc/45/02/89/343450289.db2.gz IKLYZZTUWUJTTE-SNVBAGLBSA-N 1 0 208.309 1.570 10 0 BDAERO Cc1nccc(C[NH2+][C@@H](C)Cn2ccnc2)n1 ZINC000054790646 136373134 /nfs/dbraw/zinc/37/31/34/136373134.db2.gz UOHCDIPFEZLWFB-JTQLQIEISA-N 1 0 231.303 1.160 10 0 BDAERO Cc1cnccc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000641143116 362236924 /nfs/dbraw/zinc/23/69/24/362236924.db2.gz KEVADBUCYRZQRI-UHFFFAOYSA-N 1 0 231.303 1.224 10 0 BDAERO Nc1cccnc1SC[C@@H]1CCC[NH2+]1 ZINC000043497574 343475861 /nfs/dbraw/zinc/47/58/61/343475861.db2.gz PIFHAUDAPFIRMN-QMMMGPOBSA-N 1 0 209.318 1.508 10 0 BDAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000083526224 343488599 /nfs/dbraw/zinc/48/85/99/343488599.db2.gz PYMZZDUEBCCRSV-SRVKXCTJSA-N 1 0 213.321 1.713 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000044136040 343492503 /nfs/dbraw/zinc/49/25/03/343492503.db2.gz QXEBYTSFBVBKIK-VXGBXAGGSA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H](c2ccc(OC)cc2)C1 ZINC000044135824 343492554 /nfs/dbraw/zinc/49/25/54/343492554.db2.gz XGBHVYZXKNJOOZ-RYUDHWBXSA-N 1 0 249.310 1.561 10 0 BDAERO C[C@@H](C[NH3+])CNc1nc(C2CC2)ns1 ZINC000083675937 343495378 /nfs/dbraw/zinc/49/53/78/343495378.db2.gz YRWMGWOKFOUXMO-LURJTMIESA-N 1 0 212.322 1.422 10 0 BDAERO [NH3+][C@H](CCO)c1cc(Cl)ccc1F ZINC000044235733 343496100 /nfs/dbraw/zinc/49/61/00/343496100.db2.gz WPERATYSRCSPQN-SECBINFHSA-N 1 0 203.644 1.861 10 0 BDAERO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](O)C2)n1 ZINC000112716791 343507909 /nfs/dbraw/zinc/50/79/09/343507909.db2.gz KADGRXOYAKNGGQ-WDEREUQCSA-N 1 0 236.315 1.489 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ccccn1 ZINC000077488011 187262477 /nfs/dbraw/zinc/26/24/77/187262477.db2.gz ACNZLRUIGXMARU-VIFPVBQESA-N 1 0 207.277 1.394 10 0 BDAERO C[NH2+][C@@H](C)c1cccc(N2C(=O)C[C@@H](C)C2=O)c1 ZINC000038051964 187262585 /nfs/dbraw/zinc/26/25/85/187262585.db2.gz GQOGXDNOYBRGHI-ZJUUUORDSA-N 1 0 246.310 1.866 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2ccccc2CCO)C1 ZINC000616621980 343525105 /nfs/dbraw/zinc/52/51/05/343525105.db2.gz XAJJNGPDMMZTSF-AWEZNQCLSA-N 1 0 248.370 1.360 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cnco2)C1 ZINC000616634404 343527854 /nfs/dbraw/zinc/52/78/54/343527854.db2.gz RTBRDKFUQZTDID-VIFPVBQESA-N 1 0 209.293 1.419 10 0 BDAERO OCc1cccc([C@H]2CCOCC[NH2+]2)c1 ZINC000616657628 343533457 /nfs/dbraw/zinc/53/34/57/343533457.db2.gz GFFQMKFCKVVOTC-GFCCVEGCSA-N 1 0 207.273 1.230 10 0 BDAERO CC(C)N(CC[NH3+])C(=O)c1ccccc1O ZINC000041056103 187264764 /nfs/dbraw/zinc/26/47/64/187264764.db2.gz WPNRBMKRWDGIAH-UHFFFAOYSA-N 1 0 222.288 1.202 10 0 BDAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000624236476 343582120 /nfs/dbraw/zinc/58/21/20/343582120.db2.gz DCZRWHPACRDKAK-VOAKCMCISA-N 1 0 227.348 1.695 10 0 BDAERO Cc1ccc(OCCCNC(=O)C[NH3+])cc1C ZINC000041271194 187264935 /nfs/dbraw/zinc/26/49/35/187264935.db2.gz RWQXXYHXPWNAFH-UHFFFAOYSA-N 1 0 236.315 1.147 10 0 BDAERO O=C(C[C@H]1[NH2+]CCc2ccsc21)NC1CC1 ZINC000712515359 537787353 /nfs/dbraw/zinc/78/73/53/537787353.db2.gz KWDAXESPJONDNW-SNVBAGLBSA-N 1 0 236.340 1.604 10 0 BDAERO C=C1c2ccccc2C(=O)N1CCC[NH2+]C ZINC000043304168 187266784 /nfs/dbraw/zinc/26/67/84/187266784.db2.gz XUXBXARWUJVDHR-UHFFFAOYSA-N 1 0 216.284 1.723 10 0 BDAERO c1cc2c(s1)[C@H](c1cncnc1)[NH2+]CC2 ZINC000712526281 537788945 /nfs/dbraw/zinc/78/89/45/537788945.db2.gz KVMCVFKBWCJCMI-JTQLQIEISA-N 1 0 217.297 1.773 10 0 BDAERO C[C@@H]([NH2+]CCn1cccn1)c1ccc(O)cc1 ZINC000042538696 187266009 /nfs/dbraw/zinc/26/60/09/187266009.db2.gz RJPYEBKBAFIHAB-LLVKDONJSA-N 1 0 231.299 1.940 10 0 BDAERO CC(C)NC(=O)C[C@@H]1[NH2+]CCc2ccsc21 ZINC000712516399 537790773 /nfs/dbraw/zinc/79/07/73/537790773.db2.gz SJOMRUDBKQQYSZ-JTQLQIEISA-N 1 0 238.356 1.850 10 0 BDAERO CCOC(=O)[C@@H](C)NCCc1cccnc1 ZINC000043637792 187267078 /nfs/dbraw/zinc/26/70/78/187267078.db2.gz NZOHJSLOXVFITH-SNVBAGLBSA-N 1 0 222.288 1.165 10 0 BDAERO C1CO[C@H](c2nnc([C@@H]3CCCCN3)o2)C1 ZINC000083352671 187267178 /nfs/dbraw/zinc/26/71/78/187267178.db2.gz GVFMFDQGJIRVRD-IUCAKERBSA-N 1 0 223.276 1.736 10 0 BDAERO CC(C)[C@H](C[NH3+])c1nc2cc[nH]cc-2n1 ZINC000082928489 187267339 /nfs/dbraw/zinc/26/73/39/187267339.db2.gz LUYRMMAMCKPTOL-QMMMGPOBSA-N 1 0 204.277 1.656 10 0 BDAERO Nc1[nH+]ccn1C[C@H]1CCC2(CCC2)O1 ZINC000712521205 537790379 /nfs/dbraw/zinc/79/03/79/537790379.db2.gz JNQADBSTNINKJE-SECBINFHSA-N 1 0 207.277 1.567 10 0 BDAERO COC1CC(NC2=[NH+][C@@H](C)CS2)C1 ZINC000234675803 343631597 /nfs/dbraw/zinc/63/15/97/343631597.db2.gz VGHVUTPWVZQJHC-KKMMWDRVSA-N 1 0 200.307 1.245 10 0 BDAERO CCCCNC(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227619468 537795316 /nfs/dbraw/zinc/79/53/16/537795316.db2.gz CVSUWCYUWWIYNT-NXEZZACHSA-N 1 0 213.325 1.213 10 0 BDAERO CCC[N@@H+](CC(=O)OC)C[C@@H]1CCC[C@@H](O)C1 ZINC000380045220 343672637 /nfs/dbraw/zinc/67/26/37/343672637.db2.gz KJZDEZSDODXDSD-VXGBXAGGSA-N 1 0 243.347 1.423 10 0 BDAERO CCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000087521310 343652451 /nfs/dbraw/zinc/65/24/51/343652451.db2.gz KCRPZEWTCIBMBH-UHFFFAOYSA-N 1 0 204.273 1.681 10 0 BDAERO C[NH2+][C@H](CN1CCC(OC)CC1)C(C)C ZINC000087528653 343653505 /nfs/dbraw/zinc/65/35/05/343653505.db2.gz FNADVSVTLWWSEG-GFCCVEGCSA-N 1 0 214.353 1.341 10 0 BDAERO CO[C@@H]1CCC[C@]2(C1)[NH2+]C[C@@H](C)S2 ZINC000234806582 343662770 /nfs/dbraw/zinc/66/27/70/343662770.db2.gz AYFDKIPCOCICOE-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1cccnc1 ZINC000054685547 343690603 /nfs/dbraw/zinc/69/06/03/343690603.db2.gz LOFZGBLIVGSZRQ-KGLIPLIRSA-N 1 0 228.295 1.685 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000221688052 346953253 /nfs/dbraw/zinc/95/32/53/346953253.db2.gz UAJAFEGHWSFKMT-HRDYMLBCSA-N 1 0 200.351 1.639 10 0 BDAERO CC(C)([NH3+])c1nc(-c2cccs2)n[nH]1 ZINC000054700140 343697619 /nfs/dbraw/zinc/69/76/19/343697619.db2.gz LHYSLKYZJJLCJR-UHFFFAOYSA-N 1 0 208.290 1.727 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)Nc1ncc(N)cn1 ZINC000049555060 187270118 /nfs/dbraw/zinc/27/01/18/187270118.db2.gz UDQDTNHTYOGKJK-LLVKDONJSA-N 1 0 237.351 1.447 10 0 BDAERO CC(=O)Nc1cccc(NCCCC[NH3+])c1 ZINC000049818561 187270122 /nfs/dbraw/zinc/27/01/22/187270122.db2.gz RCIPMWMQKIHLHE-UHFFFAOYSA-N 1 0 221.304 1.796 10 0 BDAERO C[NH2+][C@@H]1CCN(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000049647165 187270613 /nfs/dbraw/zinc/27/06/13/187270613.db2.gz OJMMVTXLGGUBTK-OEXLFXSVSA-N 1 0 248.370 1.776 10 0 BDAERO CC(C)[C@H](C[NH3+])n1cc(Br)cn1 ZINC000052577503 187271597 /nfs/dbraw/zinc/27/15/97/187271597.db2.gz RLOLJTMNQFOONI-QMMMGPOBSA-N 1 0 232.125 1.801 10 0 BDAERO COc1ccccc1NC(=O)C[NH2+][C@@H]1C[C@H]1C ZINC000052287791 187271319 /nfs/dbraw/zinc/27/13/19/187271319.db2.gz HMWWGLXVJXGSEE-MWLCHTKSSA-N 1 0 234.299 1.632 10 0 BDAERO Cc1cc(N)c[nH+]c1N[C@@H]1CCCC[C@H]1O ZINC000052813565 187271476 /nfs/dbraw/zinc/27/14/76/187271476.db2.gz AEPFNUGOISGFOJ-GHMZBOCLSA-N 1 0 221.304 1.688 10 0 BDAERO CC1(C)CN(CC[NH2+]CC2CCCC2)CCO1 ZINC000053384875 187272078 /nfs/dbraw/zinc/27/20/78/187272078.db2.gz LXXOAFZRBKSJEP-UHFFFAOYSA-N 1 0 240.391 1.877 10 0 BDAERO CC(C)C[C@H](CO)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055089381 187272204 /nfs/dbraw/zinc/27/22/04/187272204.db2.gz WQJPFRFBOCMTAA-SDDRHHMPSA-N 1 0 242.363 1.027 10 0 BDAERO CC[C@@H](C)[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000089678133 343748466 /nfs/dbraw/zinc/74/84/66/343748466.db2.gz NHPBWZMZWXDQLK-ZYHUDNBSSA-N 1 0 212.337 1.238 10 0 BDAERO CS[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](CO)C1 ZINC000235122504 343749803 /nfs/dbraw/zinc/74/98/03/343749803.db2.gz OASVYLYETYSLDP-OUAUKWLOSA-N 1 0 215.362 1.585 10 0 BDAERO C[C@H]([NH2+][C@@]1(C)CCS(=O)(=O)C1)C1CCCC1 ZINC000054078692 187271843 /nfs/dbraw/zinc/27/18/43/187271843.db2.gz FEGGRBPFCBUYJF-JQWIXIFHSA-N 1 0 245.388 1.732 10 0 BDAERO c1cc([C@H]2[NH2+]CCS2)cc2c1OCC2 ZINC000050522913 343782487 /nfs/dbraw/zinc/78/24/87/343782487.db2.gz HZBYZMGGLZTYJU-NSHDSACASA-N 1 0 207.298 1.957 10 0 BDAERO CC(C)(C)C(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000050132097 343782878 /nfs/dbraw/zinc/78/28/78/343782878.db2.gz JITAGPWOAMNGCM-SNVBAGLBSA-N 1 0 213.321 1.306 10 0 BDAERO COc1ccc([C@@](C)(F)C[NH3+])cc1OC ZINC000108328838 343786106 /nfs/dbraw/zinc/78/61/06/343786106.db2.gz NUQWAHNUVUAXSE-NSHDSACASA-N 1 0 213.252 1.847 10 0 BDAERO COCCn1cnnc1C[C@@H]([NH3+])c1ccccc1 ZINC000054526032 187272662 /nfs/dbraw/zinc/27/26/62/187272662.db2.gz ZNBVVURIWMGHGG-GFCCVEGCSA-N 1 0 246.314 1.167 10 0 BDAERO CNc1cc(N2CCC(OC)CC2)nc(C)[nH+]1 ZINC000129105206 343787222 /nfs/dbraw/zinc/78/72/22/343787222.db2.gz NMBNVQIKTBJYIP-UHFFFAOYSA-N 1 0 236.319 1.442 10 0 BDAERO CCN(CCO)c1cc(NC)[nH+]c(C2CC2)n1 ZINC000127029461 343787489 /nfs/dbraw/zinc/78/74/89/343787489.db2.gz OAIALPAGLGBADV-UHFFFAOYSA-N 1 0 236.319 1.214 10 0 BDAERO CCc1cc(CC)n(C[C@@H]2CCC[NH2+]2)n1 ZINC000134218342 343788276 /nfs/dbraw/zinc/78/82/76/343788276.db2.gz WRNRCFOZOTUMKQ-NSHDSACASA-N 1 0 207.321 1.760 10 0 BDAERO C[NH2+]CCc1cn(C)nc1-c1ccncc1 ZINC000221126722 343793245 /nfs/dbraw/zinc/79/32/45/343793245.db2.gz JHXINAQMZMKOCN-UHFFFAOYSA-N 1 0 216.288 1.244 10 0 BDAERO CC(C)(C)C(=[NH2+])N1CC[C@H](N2CCOCC2)C1 ZINC000062994369 187273464 /nfs/dbraw/zinc/27/34/64/187273464.db2.gz SZUPLSMAWCODHJ-NSHDSACASA-N 1 0 239.363 1.416 10 0 BDAERO CC[C@@H]([NH2+]Cc1ncn(C)n1)C(C)(C)C ZINC000309187820 346978677 /nfs/dbraw/zinc/97/86/77/346978677.db2.gz PBOGNPQPPAPEND-SECBINFHSA-N 1 0 210.325 1.729 10 0 BDAERO O=Cc1cn(C[C@H]2CCC[N@@H+]2C2CCC2)nn1 ZINC000409428240 343803217 /nfs/dbraw/zinc/80/32/17/343803217.db2.gz ZMKDNHAZDAGJQU-GFCCVEGCSA-N 1 0 234.303 1.108 10 0 BDAERO Cc1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000063172141 187273666 /nfs/dbraw/zinc/27/36/66/187273666.db2.gz XYFQZMNVNNZQFJ-UONOGXRCSA-N 1 0 246.354 1.924 10 0 BDAERO COc1cccc([C@H]2C[NH2+]C[C@@H]2CF)c1 ZINC000409423293 343815339 /nfs/dbraw/zinc/81/53/39/343815339.db2.gz PRCBWHQGYLDTLR-CMPLNLGQSA-N 1 0 209.264 1.968 10 0 BDAERO Cc1nc([C@@H]2C[NH2+]C[C@@H]2c2cccnc2)no1 ZINC000409423309 343815388 /nfs/dbraw/zinc/81/53/88/343815388.db2.gz NJCSECPFXCPNAB-GHMZBOCLSA-N 1 0 230.271 1.244 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2cc(Cl)ncn2)C1 ZINC000062983295 349868775 /nfs/dbraw/zinc/86/87/75/349868775.db2.gz YUQLXCDLWNKJQL-MRVPVSSYSA-N 1 0 226.711 1.270 10 0 BDAERO CCN1c2ccccc2[C@]2(CC[NH2+]C2)C1=O ZINC000409423644 343815831 /nfs/dbraw/zinc/81/58/31/343815831.db2.gz UBPMJCNBTDBKDC-CYBMUJFWSA-N 1 0 216.284 1.284 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N1C[C@@H]2CCC(F)(F)[C@@H]2C1 ZINC000409425159 343818834 /nfs/dbraw/zinc/81/88/34/343818834.db2.gz FHWSJSVYRBCJIT-AEJSXWLSSA-N 1 0 244.285 1.242 10 0 BDAERO COCc1cccc2c1CCN2C(N)=[NH2+] ZINC000409425514 343819880 /nfs/dbraw/zinc/81/98/80/343819880.db2.gz ALBYMBZVPURYIU-UHFFFAOYSA-N 1 0 205.261 1.089 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N(C1CC1)[C@@H]1CCSC1 ZINC000409431767 343822923 /nfs/dbraw/zinc/82/29/23/343822923.db2.gz KJKWFVARMZAIRO-GXSJLCMTSA-N 1 0 240.372 1.092 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N(C1CC1)[C@H]1CCSC1 ZINC000409431770 343823183 /nfs/dbraw/zinc/82/31/83/343823183.db2.gz KJKWFVARMZAIRO-ONGXEEELSA-N 1 0 240.372 1.092 10 0 BDAERO CC(C)(C)c1cc(=O)[nH]c([C@H]2CCC[NH2+]2)n1 ZINC000070947365 187275520 /nfs/dbraw/zinc/27/55/20/187275520.db2.gz HJSBMULMMUBCIG-MRVPVSSYSA-N 1 0 221.304 1.492 10 0 BDAERO COC[C@@H]1CN(C(N)=[NH2+])CC12CCCCC2 ZINC000409432664 343826872 /nfs/dbraw/zinc/82/68/72/343826872.db2.gz LNSLZYOACFAKSG-JTQLQIEISA-N 1 0 225.336 1.409 10 0 BDAERO C[NH2+]CC(=O)N1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409428622 343804168 /nfs/dbraw/zinc/80/41/68/343804168.db2.gz MRBIEBCJSNLTDN-BDAKNGLRSA-N 1 0 232.274 1.100 10 0 BDAERO CCCCN(C)c1cc(OCC[NH3+])ncn1 ZINC000409429231 343805107 /nfs/dbraw/zinc/80/51/07/343805107.db2.gz GSPMVIWBQOABRR-UHFFFAOYSA-N 1 0 224.308 1.050 10 0 BDAERO COC(=O)C[C@H](C)[N@@H+]1CCOc2ccccc2C1 ZINC000063012901 187274202 /nfs/dbraw/zinc/27/42/02/187274202.db2.gz MWFIYWOXHQBEGO-NSHDSACASA-N 1 0 249.310 1.833 10 0 BDAERO Cc1ccc([C@@H](C[NH3+])n2ncccc2=O)cc1 ZINC000409429910 343807256 /nfs/dbraw/zinc/80/72/56/343807256.db2.gz UIYKIDMFOFUSIB-GFCCVEGCSA-N 1 0 229.283 1.100 10 0 BDAERO C1C[C@@H]2[C@H](C1)COCC[N@H+]2C1CC[NH2+]CC1 ZINC000409430322 343807966 /nfs/dbraw/zinc/80/79/66/343807966.db2.gz VFRJYNBGLZBNRG-DGCLKSJQSA-N 1 0 224.348 1.239 10 0 BDAERO C[NH2+]Cc1c(C)[nH]nc1-c1cccnc1 ZINC000409441013 343854588 /nfs/dbraw/zinc/85/45/88/343854588.db2.gz PEGAMEGYUHNHFG-UHFFFAOYSA-N 1 0 202.261 1.500 10 0 BDAERO CCn1nc([C@@H]2CCC[NH2+]C2)c2c1CCOC2 ZINC000409441116 343855065 /nfs/dbraw/zinc/85/50/65/343855065.db2.gz WMKJOMNELPDCNS-SNVBAGLBSA-N 1 0 235.331 1.443 10 0 BDAERO c1nn(C[C@@H]2CCC[NH2+]2)cc1-c1cnccn1 ZINC000409441136 343855643 /nfs/dbraw/zinc/85/56/43/343855643.db2.gz WREOJLPTHQDVTI-NSHDSACASA-N 1 0 229.287 1.092 10 0 BDAERO CC(C)N1CC[NH2+][C@@H](C2CCOCC2)C1 ZINC000409433551 343829189 /nfs/dbraw/zinc/82/91/89/343829189.db2.gz SNEXAAGJCUDOFO-GFCCVEGCSA-N 1 0 212.337 1.095 10 0 BDAERO CCOC[C@H]1C[N@H+](CCO)CC12CCC2 ZINC000409436322 343838569 /nfs/dbraw/zinc/83/85/69/343838569.db2.gz ZGKHKIWNDARULX-LLVKDONJSA-N 1 0 213.321 1.117 10 0 BDAERO CCn1cc(C(N)=[NH2+])c(-c2cccs2)n1 ZINC000409440885 343856843 /nfs/dbraw/zinc/85/68/43/343856843.db2.gz VJNSSCMEJAFBIN-UHFFFAOYSA-N 1 0 220.301 1.916 10 0 BDAERO Cc1nn2ccn(CC3CC3)c2c1C[NH3+] ZINC000409436918 343841877 /nfs/dbraw/zinc/84/18/77/343841877.db2.gz AGICIUPSUPNGDK-UHFFFAOYSA-N 1 0 204.277 1.313 10 0 BDAERO CCn1nc(C2CC[NH2+]CC2)c2c1CCOC2 ZINC000409437488 343843607 /nfs/dbraw/zinc/84/36/07/343843607.db2.gz HBDBTXOVRRIFDV-UHFFFAOYSA-N 1 0 235.331 1.443 10 0 BDAERO CC(C)(C)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000072236833 187276699 /nfs/dbraw/zinc/27/66/99/187276699.db2.gz HLSZZTPSLSQZOO-UHFFFAOYSA-N 1 0 208.309 1.569 10 0 BDAERO CCc1[nH]nc(-c2ccccn2)c1C[NH2+]C ZINC000409438645 343844768 /nfs/dbraw/zinc/84/47/68/343844768.db2.gz DKUBZDNRSUMDLN-UHFFFAOYSA-N 1 0 216.288 1.754 10 0 BDAERO OCC[N@@H+]1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409438799 343845499 /nfs/dbraw/zinc/84/54/99/343845499.db2.gz OXHBYQYZZIERST-RKDXNWHRSA-N 1 0 205.248 1.346 10 0 BDAERO NC(=[NH2+])Cn1ccn2nc(C3CCC3)cc12 ZINC000409439130 343846495 /nfs/dbraw/zinc/84/64/95/343846495.db2.gz PUXZCJIQJCIEJX-UHFFFAOYSA-N 1 0 217.276 1.339 10 0 BDAERO CC(C)(C)c1cc(N)n(C[C@@H]2CCC[NH2+]C2)n1 ZINC000409439178 343846518 /nfs/dbraw/zinc/84/65/18/343846518.db2.gz ODMHTJSQSYIBKL-SNVBAGLBSA-N 1 0 236.363 1.762 10 0 BDAERO NC(=[NH2+])Cn1ccn2nc(-c3ccoc3)cc12 ZINC000409439288 343847149 /nfs/dbraw/zinc/84/71/49/343847149.db2.gz QRTIZAZJLXEECB-UHFFFAOYSA-N 1 0 229.243 1.332 10 0 BDAERO [NH3+]CCn1ccn2nc(-c3ccsc3)cc12 ZINC000409439517 343847389 /nfs/dbraw/zinc/84/73/89/343847389.db2.gz RRVUBZULWJLGTP-UHFFFAOYSA-N 1 0 232.312 1.823 10 0 BDAERO [NH3+]Cc1cc2n(CC3CCC3)ccn2n1 ZINC000409439519 343847468 /nfs/dbraw/zinc/84/74/68/343847468.db2.gz RTYHMUIFDGQSHE-UHFFFAOYSA-N 1 0 204.277 1.395 10 0 BDAERO CC(C)Cn1cc(C(N)=[NH2+])c(C(F)(F)F)n1 ZINC000409439535 343847581 /nfs/dbraw/zinc/84/75/81/343847581.db2.gz POGDSTZHNRNYQC-UHFFFAOYSA-N 1 0 234.225 1.842 10 0 BDAERO NC(=[NH2+])c1c2c(nn1CC1CC1)CCC2 ZINC000409438101 343849878 /nfs/dbraw/zinc/84/98/78/343849878.db2.gz KBBKFRDAKBLUDD-UHFFFAOYSA-N 1 0 204.277 1.066 10 0 BDAERO c1cc(-c2n[nH]cc2CN2CC[NH2+]CC2)co1 ZINC000409438252 343850388 /nfs/dbraw/zinc/85/03/88/343850388.db2.gz BSNQKURPVYOWLG-UHFFFAOYSA-N 1 0 232.287 1.075 10 0 BDAERO [NH3+]Cc1cc(CC2CC2)nc(C2CC2)n1 ZINC000409438347 343850926 /nfs/dbraw/zinc/85/09/26/343850926.db2.gz LYDOIPJNMGEOQT-UHFFFAOYSA-N 1 0 203.289 1.765 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1NCc1ccccc1 ZINC000409442624 343858431 /nfs/dbraw/zinc/85/84/31/343858431.db2.gz YGVOCONEHPTSEX-QWHCGFSZSA-N 1 0 204.317 1.917 10 0 BDAERO [NH3+]CCc1cn(CCF)nc1-c1ccccn1 ZINC000409441732 343860488 /nfs/dbraw/zinc/86/04/88/343860488.db2.gz ZSXGPWZGJBGFPP-UHFFFAOYSA-N 1 0 234.278 1.416 10 0 BDAERO OCc1cc([C@H]2CCCC[NH2+]2)nn1CC1CC1 ZINC000409443829 343863332 /nfs/dbraw/zinc/86/33/32/343863332.db2.gz VBAAXCRXZJCDCP-GFCCVEGCSA-N 1 0 235.331 1.600 10 0 BDAERO c1ccn([C@@H](c2noc(C3C[NH2+]C3)n2)C2CC2)c1 ZINC000409442684 343864100 /nfs/dbraw/zinc/86/41/00/343864100.db2.gz ZFCJLVMQFLMLND-LLVKDONJSA-N 1 0 244.298 1.557 10 0 BDAERO NC(=[NH2+])Cn1nc(C(F)(F)F)cc1C1CC1 ZINC000409443134 343866119 /nfs/dbraw/zinc/86/61/19/343866119.db2.gz HNSPFNHCPFLEIW-UHFFFAOYSA-N 1 0 232.209 1.715 10 0 BDAERO CS[C@@H]1CC[C@@H](N2CC[C@@H]([NH3+])C2)C1 ZINC000235259385 343884992 /nfs/dbraw/zinc/88/49/92/343884992.db2.gz RYSZVOXOMQIFJW-OPRDCNLKSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@@H](C[NH3+])[C@@H](O)C1CCC(F)(F)CC1 ZINC000127171663 343886457 /nfs/dbraw/zinc/88/64/57/343886457.db2.gz UEUHUSOYOIVSCQ-IONNQARKSA-N 1 0 207.264 1.768 10 0 BDAERO CC(C)C[C@H](CC[NH3+])C(=O)NC(C)(C)C ZINC000076608426 187279079 /nfs/dbraw/zinc/27/90/79/187279079.db2.gz IGAMIHPVINOEHE-JTQLQIEISA-N 1 0 214.353 1.912 10 0 BDAERO C[C@H](C[NH+]1C[C@@H](C)S[C@H](C)C1)C(N)=S ZINC000069908516 343944405 /nfs/dbraw/zinc/94/44/05/343944405.db2.gz NFPSXAHAUDDYIM-IWSPIJDZSA-N 1 0 232.418 1.734 10 0 BDAERO C[N@@H+]1CCSC[C@H]1[C@@H](O)c1ccsc1 ZINC000234358280 343947887 /nfs/dbraw/zinc/94/78/87/343947887.db2.gz IIRCEWPHVASTKQ-UWVGGRQHSA-N 1 0 229.370 1.829 10 0 BDAERO C[NH2+][C@@H](c1c(Br)nnn1C)C(C)C ZINC000234460971 343971420 /nfs/dbraw/zinc/97/14/20/343971420.db2.gz RNAJLHAJDMJWDD-ZCFIWIBFSA-N 1 0 247.140 1.494 10 0 BDAERO Cc1ccc(Br)cc1C(=[NH2+])NN ZINC000077342013 187280795 /nfs/dbraw/zinc/28/07/95/187280795.db2.gz YOYOXRPPKMRWJX-UHFFFAOYSA-N 1 0 228.093 1.546 10 0 BDAERO CCCC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000092677488 343961158 /nfs/dbraw/zinc/96/11/58/343961158.db2.gz LSVYLYGNYBWTAK-LLVKDONJSA-N 1 0 212.337 1.729 10 0 BDAERO CC(C)[C@@H](CN)[N@@H+]1CCSC(C)(C)C1 ZINC000135211931 343967353 /nfs/dbraw/zinc/96/73/53/343967353.db2.gz UDKWOGVLRVXXFP-SNVBAGLBSA-N 1 0 216.394 1.797 10 0 BDAERO CC[C@H](C[NH3+])N1CCSC(C)(C)C1 ZINC000135210311 343967489 /nfs/dbraw/zinc/96/74/89/343967489.db2.gz LTTHYEGSDDZDKJ-SECBINFHSA-N 1 0 202.367 1.551 10 0 BDAERO CC(C)([NH2+]Cc1ccc(Cl)cc1)C(N)=O ZINC000040673928 187284258 /nfs/dbraw/zinc/28/42/58/187284258.db2.gz PQRAQHDRWCGJSN-UHFFFAOYSA-N 1 0 226.707 1.694 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCc1cccc(F)c1 ZINC000083366120 187285173 /nfs/dbraw/zinc/28/51/73/187285173.db2.gz JFNTYMDTQVXHFC-NSHDSACASA-N 1 0 238.306 1.815 10 0 BDAERO CSc1nccc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000095071863 187286695 /nfs/dbraw/zinc/28/66/95/187286695.db2.gz SWVANJCEJUADGX-MRVPVSSYSA-N 1 0 224.333 1.220 10 0 BDAERO CSc1nccc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000095071871 187286726 /nfs/dbraw/zinc/28/67/26/187286726.db2.gz RYKSNOWOROFZCK-SECBINFHSA-N 1 0 239.344 1.577 10 0 BDAERO CC(=O)N(C1CC[NH2+]CC1)C(F)(F)F ZINC000095082780 187286937 /nfs/dbraw/zinc/28/69/37/187286937.db2.gz SIHXZNWQVZBRLY-UHFFFAOYSA-N 1 0 210.199 1.107 10 0 BDAERO COC(=O)[C@@H]1Cc2cccc(F)c2[C@H]1[NH3+] ZINC000216823601 344166523 /nfs/dbraw/zinc/16/65/23/344166523.db2.gz WNGKXVZHBJXGMC-XCBNKYQSSA-N 1 0 209.220 1.171 10 0 BDAERO CC[NH2+][C@@H](CC)c1cn(C2CCOCC2)nn1 ZINC000616569336 344170184 /nfs/dbraw/zinc/17/01/84/344170184.db2.gz JNWVOXPOYPZIFG-NSHDSACASA-N 1 0 238.335 1.690 10 0 BDAERO CN(C)c1c(C[NH3+])cncc1OC1CC1 ZINC000095738167 187288116 /nfs/dbraw/zinc/28/81/16/187288116.db2.gz YGJRZPAAVKHRJR-UHFFFAOYSA-N 1 0 207.277 1.148 10 0 BDAERO O=C(NC1CCCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735722 344123173 /nfs/dbraw/zinc/12/31/73/344123173.db2.gz OZRCSKLMHTWAPX-FZMZJTMJSA-N 1 0 236.359 1.825 10 0 BDAERO C[C@H]1CCCCN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736523 344127645 /nfs/dbraw/zinc/12/76/45/344127645.db2.gz QENFKGCGDDRDIQ-OBJOEFQTSA-N 1 0 236.359 1.777 10 0 BDAERO O=C(NC1CCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736785 344128535 /nfs/dbraw/zinc/12/85/35/344128535.db2.gz ZPXBDXATLQVCOB-GWCFXTLKSA-N 1 0 222.332 1.435 10 0 BDAERO CC[C@@H](C[NH3+])Nc1cc(Cl)nnc1Cl ZINC000127312279 344129191 /nfs/dbraw/zinc/12/91/91/344129191.db2.gz WLUPMEZLVNBHCX-YFKPBYRVSA-N 1 0 235.118 1.933 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1COC ZINC000683995495 488254223 /nfs/dbraw/zinc/25/42/23/488254223.db2.gz SUSTVXQDWPQIGU-STQMWFEESA-N 1 0 245.363 1.275 10 0 BDAERO [NH3+]CCCNc1cc(F)c(F)cc1F ZINC000135301886 344156344 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/nfs/dbraw/zinc/04/03/77/347040377.db2.gz CNOBPNOUMKGRPY-MRVPVSSYSA-N 1 0 217.725 1.960 10 0 BDAERO CO[C@H]1CCC[C@]2(C1)[NH2+]CCCS2 ZINC000234775147 344253164 /nfs/dbraw/zinc/25/31/64/344253164.db2.gz YCZZEUGSJJHWSU-UWVGGRQHSA-N 1 0 201.335 1.998 10 0 BDAERO O=C(N1CCCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762579 344263230 /nfs/dbraw/zinc/26/32/30/344263230.db2.gz BCCKMLOVDUZUOZ-AAEUAGOBSA-N 1 0 222.332 1.389 10 0 BDAERO O=C(NCc1ccncc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763333 344267775 /nfs/dbraw/zinc/26/77/75/344267775.db2.gz UJIJVDBIJROLEH-JSGCOSHPSA-N 1 0 245.326 1.088 10 0 BDAERO Cc1nc(C[C@H](O)[C@@H]2CCC[NH2+]2)cs1 ZINC000235946262 344273511 /nfs/dbraw/zinc/27/35/11/344273511.db2.gz WRLVRIRHYHKOSH-UWVGGRQHSA-N 1 0 212.318 1.107 10 0 BDAERO O=C(Nc1ccc(F)cn1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764402 344276653 /nfs/dbraw/zinc/27/66/53/344276653.db2.gz SKYOFPVABVUWRD-ZANVPECISA-N 1 0 249.289 1.549 10 0 BDAERO C[C@@H]([NH3+])CSc1cc(F)ccc1N ZINC000222944450 344285688 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/nfs/dbraw/zinc/35/54/17/344355417.db2.gz AKIGAEWWAZXGRW-HTQZYQBOSA-N 1 0 234.328 1.617 10 0 BDAERO Nc1[nH+]ccn1Cc1occc1Br ZINC000236347889 344355907 /nfs/dbraw/zinc/35/59/07/344355907.db2.gz OMBGQDFKNCZPEN-UHFFFAOYSA-N 1 0 242.076 1.869 10 0 BDAERO CC1(C)[C@H]([NH3+])CCN1Cc1ccccc1 ZINC000084237366 344368046 /nfs/dbraw/zinc/36/80/46/344368046.db2.gz GUPZVIPUAXBIPV-GFCCVEGCSA-N 1 0 204.317 1.998 10 0 BDAERO Cc1cnccc1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000385029690 344300668 /nfs/dbraw/zinc/30/06/68/344300668.db2.gz KIJIYRBEGZJRIW-CMPLNLGQSA-N 1 0 205.305 1.312 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1nc2ccccc2o1 ZINC000385198694 344371253 /nfs/dbraw/zinc/37/12/53/344371253.db2.gz PXPZMLKYHWCCAO-RKDXNWHRSA-N 1 0 217.272 1.754 10 0 BDAERO CCSCCN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000600886927 344386226 /nfs/dbraw/zinc/38/62/26/344386226.db2.gz UPXORAGGYDOBHP-QWRGUYRKSA-N 1 0 232.393 1.178 10 0 BDAERO CO[C@@H]1CC[C@@H](NC2=[NH+]CCS2)C1 ZINC000234852116 344393628 /nfs/dbraw/zinc/39/36/28/344393628.db2.gz TZKUIOIHKZFVRF-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO Cc1nc(Sc2ccc(C[NH3+])cn2)n[nH]1 ZINC000041062585 187290950 /nfs/dbraw/zinc/29/09/50/187290950.db2.gz XGYKPHWQNSLCOM-UHFFFAOYSA-N 1 0 221.289 1.118 10 0 BDAERO CCN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000584302056 344439075 /nfs/dbraw/zinc/43/90/75/344439075.db2.gz QMYGTRTWMJEHCJ-NSHDSACASA-N 1 0 224.348 1.777 10 0 BDAERO C1C[C@H]2[C@@H](C1)[N@@H+]1CC[NH2+]C[C@H]3CCC[C@H]2[C@@H]31 ZINC000103277935 187291377 /nfs/dbraw/zinc/29/13/77/187291377.db2.gz QBXWFBUGZQGGDY-DHGKCCLASA-N 1 0 220.360 1.859 10 0 BDAERO N#C/C=C(/c1ccccc1)N1CC[NH2+]CC1 ZINC000150277716 344446990 /nfs/dbraw/zinc/44/69/90/344446990.db2.gz ZBXOMOHSPJDPHH-MLPAPPSSSA-N 1 0 213.284 1.456 10 0 BDAERO C[C@H]1C[C@@H](NC2=[NH+]CCCS2)CO1 ZINC000402174990 344448452 /nfs/dbraw/zinc/44/84/52/344448452.db2.gz WXUGCVVBQNJSSJ-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO CC(C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106425031 344475141 /nfs/dbraw/zinc/47/51/41/344475141.db2.gz VGBVGFUQXZXEHU-CQSZACIVSA-N 1 0 248.370 1.932 10 0 BDAERO NC(=O)c1ccccc1[C@@H]1CCCC[N@@H+]1CCO ZINC000616616120 344549682 /nfs/dbraw/zinc/54/96/82/344549682.db2.gz HXQRDIQOROGDGH-ZDUSSCGKSA-N 1 0 248.326 1.305 10 0 BDAERO COC(C)(C)C[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400390227 537853584 /nfs/dbraw/zinc/85/35/84/537853584.db2.gz OZBZFNADGLWLMJ-VIFPVBQESA-N 1 0 209.293 1.412 10 0 BDAERO C[C@@H]1CC[C@H]([C@@H]2[NH2+]CCc3nc[nH]c32)O1 ZINC000400387787 537853647 /nfs/dbraw/zinc/85/36/47/537853647.db2.gz NYRLPSBOJZSXDX-ZOFUNIGCSA-N 1 0 207.277 1.164 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336779708 537851735 /nfs/dbraw/zinc/85/17/35/537851735.db2.gz PHQICJZFXLUUPS-IELRGYKMSA-N 1 0 222.332 1.432 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCSC1)c1nnc[nH]1 ZINC000230426992 344655907 /nfs/dbraw/zinc/65/59/07/344655907.db2.gz XCLDVSDQFUPIIQ-JGVFFNPUSA-N 1 0 212.322 1.351 10 0 BDAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](SC2COC2)C1 ZINC000221123181 344681194 /nfs/dbraw/zinc/68/11/94/344681194.db2.gz DYTPNHMQXKQFIG-JEZHCXPESA-N 1 0 201.335 1.634 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@H](CCF)C2)C1 ZINC000626006385 344665220 /nfs/dbraw/zinc/66/52/20/344665220.db2.gz XIFAQASNVBZLNL-JHJVBQTASA-N 1 0 245.338 1.598 10 0 BDAERO CN[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000050269884 344667092 /nfs/dbraw/zinc/66/70/92/344667092.db2.gz NZUIVJRPPWUUIJ-VIFPVBQESA-N 1 0 234.221 1.804 10 0 BDAERO Cn1ncnc1SC1CCC([NH3+])CC1 ZINC000127868825 344670318 /nfs/dbraw/zinc/67/03/18/344670318.db2.gz GXBGUSWYYSBUMF-UHFFFAOYSA-N 1 0 212.322 1.177 10 0 BDAERO CC(C)[C@@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973927 344640962 /nfs/dbraw/zinc/64/09/62/344640962.db2.gz WRUHKFSFSCWDDA-UPJWGTAASA-N 1 0 229.364 1.344 10 0 BDAERO CC[C@@H]1CSC[C@@H]([C@@H]2CCOC2)[NH2+]1 ZINC000158699240 344725574 /nfs/dbraw/zinc/72/55/74/344725574.db2.gz COALYNCZGFUTNS-BBBLOLIVSA-N 1 0 201.335 1.507 10 0 BDAERO C[C@H](NC1=[NH+][C@H](C)CS1)[C@@H]1CCOC1 ZINC000158700542 344726292 /nfs/dbraw/zinc/72/62/92/344726292.db2.gz BXOFGVXCJUVDAM-HRDYMLBCSA-N 1 0 214.334 1.492 10 0 BDAERO CN(c1nc(C[NH3+])co1)[C@@H]1CCSC1 ZINC000166121878 344743021 /nfs/dbraw/zinc/74/30/21/344743021.db2.gz CXKDAPISDJCAOE-MRVPVSSYSA-N 1 0 213.306 1.075 10 0 BDAERO Cc1cc2[nH]c(=O)n(C3CC[NH2+]CC3)c2cc1C ZINC000114192705 344684144 /nfs/dbraw/zinc/68/41/44/344684144.db2.gz TUDSWLOXWCWOME-UHFFFAOYSA-N 1 0 245.326 1.871 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCc1cccs1 ZINC000049753046 344687905 /nfs/dbraw/zinc/68/79/05/344687905.db2.gz AUZACRXTLVJHJP-MRVPVSSYSA-N 1 0 212.318 1.015 10 0 BDAERO Cn1ncnc1S[C@H]1CCC[C@H]1C[NH3+] ZINC000127960471 344694125 /nfs/dbraw/zinc/69/41/25/344694125.db2.gz AIJHJLGZRLJISM-YUMQZZPRSA-N 1 0 212.322 1.035 10 0 BDAERO [NH3+]Cc1cccc(Oc2ccncn2)c1 ZINC000043558721 187293182 /nfs/dbraw/zinc/29/31/82/187293182.db2.gz DYYRPHPSYLWQOK-UHFFFAOYSA-N 1 0 201.229 1.728 10 0 BDAERO O=C(N1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000062810278 347082175 /nfs/dbraw/zinc/08/21/75/347082175.db2.gz YHYMTHQDJLMSAU-YUMQZZPRSA-N 1 0 236.237 1.292 10 0 BDAERO CS[C@@H]1CCC[C@@H]1NC1=[NH+]CCS1 ZINC000235157299 344824566 /nfs/dbraw/zinc/82/45/66/344824566.db2.gz WMLURAASGCCWAE-JGVFFNPUSA-N 1 0 216.375 1.963 10 0 BDAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000049555765 187293602 /nfs/dbraw/zinc/29/36/02/187293602.db2.gz OXFRIYSXWLNRGV-MJBXVCDLSA-N 1 0 242.407 1.856 10 0 BDAERO [NH3+]C[C@](O)(C1=CCSCC1)C(F)(F)F ZINC000675053443 537865898 /nfs/dbraw/zinc/86/58/98/537865898.db2.gz NWMWMTVDKKWLAS-ZETCQYMHSA-N 1 0 227.251 1.302 10 0 BDAERO CCNc1ncc(Br)cc1C[NH3+] ZINC000166315502 344853909 /nfs/dbraw/zinc/85/39/09/344853909.db2.gz ALISIWFFRSIQNB-UHFFFAOYSA-N 1 0 230.109 1.735 10 0 BDAERO CNc1ncc(Br)cc1C[NH2+]C ZINC000166289549 344842899 /nfs/dbraw/zinc/84/28/99/344842899.db2.gz IMOQTRZGCDAHPU-UHFFFAOYSA-N 1 0 230.109 1.605 10 0 BDAERO CC1(C)CSC(NC[C@H]2CCOC2)=[NH+]1 ZINC000061147012 344868869 /nfs/dbraw/zinc/86/88/69/344868869.db2.gz JSUPZMZKNNOBMU-MRVPVSSYSA-N 1 0 214.334 1.494 10 0 BDAERO [NH3+]Cc1cc(O)cc(Br)c1 ZINC000095762067 537868867 /nfs/dbraw/zinc/86/88/67/537868867.db2.gz DRSBDNOKJUXMAE-UHFFFAOYSA-N 1 0 202.051 1.613 10 0 BDAERO C(CN1CCCCC1)NC1=[NH+]CCCS1 ZINC000049575363 187294000 /nfs/dbraw/zinc/29/40/00/187294000.db2.gz DHHJRANQSALLSZ-UHFFFAOYSA-N 1 0 227.377 1.555 10 0 BDAERO COC(C)(C)C(=O)C[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000301004453 537875269 /nfs/dbraw/zinc/87/52/69/537875269.db2.gz NJYIAXNMBCPVNH-ZJUUUORDSA-N 1 0 213.321 1.759 10 0 BDAERO CC(C)(C)OC(=O)N1CC(F)(F)[C@H]2C[NH2+]C[C@H]21 ZINC000238172387 344981469 /nfs/dbraw/zinc/98/14/69/344981469.db2.gz PQXYSUUKESSQRK-JGVFFNPUSA-N 1 0 248.273 1.460 10 0 BDAERO CC(=O)Nc1ccc([C@H]([NH3+])CCO)cc1 ZINC000044232283 344988242 /nfs/dbraw/zinc/98/82/42/344988242.db2.gz SFUZUNPXDQCVGQ-LLVKDONJSA-N 1 0 208.261 1.027 10 0 BDAERO [NH3+][C@@H](CCO)c1cccc(OC(F)F)c1 ZINC000044233305 344988982 /nfs/dbraw/zinc/98/89/82/344988982.db2.gz UGCRHESCIKBTGT-VIFPVBQESA-N 1 0 217.215 1.670 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(Br)cc1F ZINC000044233187 344988991 /nfs/dbraw/zinc/98/89/91/344988991.db2.gz CPMDCKXIXQDVIL-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(Cl)cc1F ZINC000044233193 344989193 /nfs/dbraw/zinc/98/91/93/344989193.db2.gz KLZSUAAIZCBKNI-VIFPVBQESA-N 1 0 203.644 1.861 10 0 BDAERO Nc1[nH+]ccn1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715390590 537882746 /nfs/dbraw/zinc/88/27/46/537882746.db2.gz FGTFVDFLNMIPFG-ZJUUUORDSA-N 1 0 207.277 1.423 10 0 BDAERO Cn1cccc1[C@@H]([NH3+])c1cccc(O)c1 ZINC000011848703 345031127 /nfs/dbraw/zinc/03/11/27/345031127.db2.gz DJXGIYVUGOPMTN-LBPRGKRZSA-N 1 0 202.257 1.779 10 0 BDAERO [NH3+][C@H](Cn1cccn1)c1ccc2c(c1)OCO2 ZINC000011848832 345031156 /nfs/dbraw/zinc/03/11/56/345031156.db2.gz NEHJWCZHPOUERA-SNVBAGLBSA-N 1 0 231.255 1.312 10 0 BDAERO CCOC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000044368044 345039574 /nfs/dbraw/zinc/03/95/74/345039574.db2.gz YBILPLCFBZYHBH-SECBINFHSA-N 1 0 200.282 1.346 10 0 BDAERO C[NH2+][C@@H]1CCC[C@H]1Sc1ncnn1C ZINC000128123881 345080593 /nfs/dbraw/zinc/08/05/93/345080593.db2.gz DJFMTRVACLGTIU-HTQZYQBOSA-N 1 0 212.322 1.048 10 0 BDAERO CCOc1ccc([C@@H](N)C[NH3+])cc1OC ZINC000044469088 345085103 /nfs/dbraw/zinc/08/51/03/345085103.db2.gz XXMIULXHLXDBIY-VIFPVBQESA-N 1 0 210.277 1.052 10 0 BDAERO [NH3+]CCCC(=O)Nc1cnccc1Cl ZINC000166743387 345115531 /nfs/dbraw/zinc/11/55/31/345115531.db2.gz GFVCEGDIWYYVMW-UHFFFAOYSA-N 1 0 213.668 1.412 10 0 BDAERO O[C@@]1(c2c(F)cccc2Cl)CC[NH2+]C1 ZINC000238656156 345102763 /nfs/dbraw/zinc/10/27/63/345102763.db2.gz NIOHEPHTPKBPLT-JTQLQIEISA-N 1 0 215.655 1.660 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)O1 ZINC000156540223 345174806 /nfs/dbraw/zinc/17/48/06/345174806.db2.gz ATSYPZNTSSGMSX-UTUOFQBUSA-N 1 0 240.347 1.107 10 0 BDAERO C[C@@H]1C[C@@H](CO)[N@H+](Cc2ccccc2)[C@H]1CO ZINC000307218906 345239916 /nfs/dbraw/zinc/23/99/16/345239916.db2.gz VTWBLRRUWANBFE-XBFCOCLRSA-N 1 0 235.327 1.250 10 0 BDAERO C[C@@]1(C[NH3+])CCN(c2ncnc3c2CCCC3)C1 ZINC000235418497 537892326 /nfs/dbraw/zinc/89/23/26/537892326.db2.gz DFYGEONHFGENCK-AWEZNQCLSA-N 1 0 246.358 1.531 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](Nc2ccccn2)C1 ZINC000390001150 345194782 /nfs/dbraw/zinc/19/47/82/345194782.db2.gz SYZHWOALAPIVAA-NSHDSACASA-N 1 0 205.305 1.976 10 0 BDAERO Cc1nnc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)[nH]1 ZINC000408469833 345322438 /nfs/dbraw/zinc/32/24/38/345322438.db2.gz UWHHCVJOYTVRJR-WHGOUJPWSA-N 1 0 236.319 1.331 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000300228724 345285057 /nfs/dbraw/zinc/28/50/57/345285057.db2.gz BIZXUEXGZNUUNK-FRRDWIJNSA-N 1 0 229.364 1.894 10 0 BDAERO C1OCC1[NH2+][C@H]1CCCC12CCOCC2 ZINC000300874673 187302416 /nfs/dbraw/zinc/30/24/16/187302416.db2.gz FFJILMBABAIFCW-NSHDSACASA-N 1 0 211.305 1.324 10 0 BDAERO COC[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158849109 345380187 /nfs/dbraw/zinc/38/01/87/345380187.db2.gz IYELZUJPERIMJH-SRVKXCTJSA-N 1 0 242.363 1.114 10 0 BDAERO C[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000635526135 345421743 /nfs/dbraw/zinc/42/17/43/345421743.db2.gz NMQICQAPJKPOKI-NXEZZACHSA-N 1 0 225.336 1.165 10 0 BDAERO CC(=O)CCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000108380616 187303750 /nfs/dbraw/zinc/30/37/50/187303750.db2.gz QKKMJPIKKLWWKB-CQSZACIVSA-N 1 0 238.375 1.916 10 0 BDAERO O=C(C[C@H]1CCCC[NH2+]1)c1cncs1 ZINC000229143471 345441989 /nfs/dbraw/zinc/44/19/89/345441989.db2.gz SLYUJDMYCHJGIW-MRVPVSSYSA-N 1 0 210.302 1.858 10 0 BDAERO C[C@H]1[NH2+]CCc2cc3c(cc21)OCCO3 ZINC000011599018 187305257 /nfs/dbraw/zinc/30/52/57/187305257.db2.gz SQQNVOHZNPIJDT-MRVPVSSYSA-N 1 0 205.257 1.665 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](C(=O)NCc2cccnc2)CC1 ZINC000250196552 345475275 /nfs/dbraw/zinc/47/52/75/345475275.db2.gz YVSCXIVQCHQOEM-AULYBMBSSA-N 1 0 247.342 1.463 10 0 BDAERO CC[C@@H]1CC[C@H](C)[N@@H+]1[C@@H](C)C(N)=S ZINC000136179155 345484838 /nfs/dbraw/zinc/48/48/38/345484838.db2.gz AUJZYEXFDXTBJO-XHNCKOQMSA-N 1 0 200.351 1.924 10 0 BDAERO O=c1cc(C2CC2)[n-]n1C[C@H]1CCC[NH2+]1 ZINC000250783752 345486768 /nfs/dbraw/zinc/48/67/68/345486768.db2.gz TWAXYRZUGXGAAK-SECBINFHSA-N 1 0 207.277 1.218 10 0 BDAERO OCCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000088022863 345538881 /nfs/dbraw/zinc/53/88/81/345538881.db2.gz SSJNMAMXUZOXRU-QWHCGFSZSA-N 1 0 227.348 1.386 10 0 BDAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000226801163 345612339 /nfs/dbraw/zinc/61/23/39/345612339.db2.gz ZHZBAVNYSKZRDP-UTLUCORTSA-N 1 0 219.350 1.183 10 0 BDAERO [NH3+]C[C@@H]1C[C@]1(CO)c1ccc(Cl)cc1 ZINC000675079064 537900603 /nfs/dbraw/zinc/90/06/03/537900603.db2.gz VKKZODYZHOEMSX-ONGXEEELSA-N 1 0 211.692 1.549 10 0 BDAERO C([NH2+][C@@H]1CCOC1)[C@@H]1CC12CCOCC2 ZINC000308979291 187307717 /nfs/dbraw/zinc/30/77/17/187307717.db2.gz HOHVKEARTFCPFA-WDEREUQCSA-N 1 0 211.305 1.182 10 0 BDAERO COc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]1CO ZINC000381369919 345585964 /nfs/dbraw/zinc/58/59/64/345585964.db2.gz HZJZCEQRQLLBCD-GXSJLCMTSA-N 1 0 225.263 1.305 10 0 BDAERO c1ccc(C2(CN[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000216201951 345743321 /nfs/dbraw/zinc/74/33/21/345743321.db2.gz VPIGCJHBBZOWEQ-CYBMUJFWSA-N 1 0 216.328 1.670 10 0 BDAERO CC(C)c1nccc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000212412026 345734195 /nfs/dbraw/zinc/73/41/95/345734195.db2.gz FBDHHSBKPUZPFM-SNVBAGLBSA-N 1 0 220.320 1.528 10 0 BDAERO CC1(C)CC(=O)N/[N+]1=C/c1ccc(Cl)cc1 ZINC000033807700 345812622 /nfs/dbraw/zinc/81/26/22/345812622.db2.gz PFYCKPMXMIRFHD-OVCLIPMQSA-O 1 0 237.710 1.985 10 0 BDAERO Cn1nccc1-c1ccc(C[NH3+])c(F)c1 ZINC000069020537 345778857 /nfs/dbraw/zinc/77/88/57/345778857.db2.gz PDJMMODDYWRICP-UHFFFAOYSA-N 1 0 205.236 1.685 10 0 BDAERO Cn1c2ccc(F)cc2cc(C[NH3+])c1=O ZINC000258155690 345780587 /nfs/dbraw/zinc/78/05/87/345780587.db2.gz SKXAWEIKPWRUQO-UHFFFAOYSA-N 1 0 206.220 1.136 10 0 BDAERO C1C[C@@H](c2nc(C3CCSCC3)no2)C[NH2+]1 ZINC000258286379 345783986 /nfs/dbraw/zinc/78/39/86/345783986.db2.gz CRNHHQNLBMJVJA-SECBINFHSA-N 1 0 239.344 1.757 10 0 BDAERO CC(C)[C@@H](CO)N(C)CC(=O)OC(C)(C)C ZINC000167774982 345799378 /nfs/dbraw/zinc/79/93/78/345799378.db2.gz AXGAGXCIVGWBSH-SNVBAGLBSA-N 1 0 231.336 1.277 10 0 BDAERO CC(C)(C)OC(=O)[C@@H](O)[C@@H]1CCCC[NH2+]C1 ZINC000142601779 345863799 /nfs/dbraw/zinc/86/37/99/345863799.db2.gz FSWQUDPKKLXQPM-ZJUUUORDSA-N 1 0 229.320 1.079 10 0 BDAERO CC(C)(C)OC(=O)N[C@]1(C)CCC[C@@H]1[NH3+] ZINC000215737259 345850045 /nfs/dbraw/zinc/85/00/45/345850045.db2.gz LTGGAMBUUPUTCF-GZMMTYOYSA-N 1 0 214.309 1.781 10 0 BDAERO Cc1ccc([C@]2(C)OC[C@H](C[NH3+])O2)c(C)c1 ZINC000049818466 178926351 /nfs/dbraw/zinc/92/63/51/178926351.db2.gz JJFDLMXGSANTHV-WCQYABFASA-N 1 0 221.300 1.850 10 0 BDAERO NC[C@@H]([NH3+])CC1=Cc2cc(F)ccc2CC1 ZINC000141157812 345859110 /nfs/dbraw/zinc/85/91/10/345859110.db2.gz GWGPBRXLJIREAL-ZDUSSCGKSA-N 1 0 220.291 1.831 10 0 BDAERO C1OCC1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000309686247 187309766 /nfs/dbraw/zinc/30/97/66/187309766.db2.gz OGDYHBDBYZZFGE-TUAOUCFPSA-N 1 0 223.316 1.323 10 0 BDAERO CN(c1ncccc1NC1CC1)C1CC[NH2+]CC1 ZINC000034522601 345831094 /nfs/dbraw/zinc/83/10/94/345831094.db2.gz DERPDOPEXSNQOZ-UHFFFAOYSA-N 1 0 246.358 1.844 10 0 BDAERO NC[C@@H]([NH3+])C[C@@H]1CCc2ccccc2C1 ZINC000169191697 345839054 /nfs/dbraw/zinc/83/90/54/345839054.db2.gz OVTZQVVSWMGEDH-MFKMUULPSA-N 1 0 204.317 1.468 10 0 BDAERO [NH3+]CC(=O)CCCOCc1ccccc1 ZINC000306443421 537914682 /nfs/dbraw/zinc/91/46/82/537914682.db2.gz MSFSEEWGURBHLO-UHFFFAOYSA-N 1 0 207.273 1.511 10 0 BDAERO OC1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000236467296 537916773 /nfs/dbraw/zinc/91/67/73/537916773.db2.gz ZPNIQBUHLWNUBS-MCIGGMRASA-N 1 0 213.321 1.449 10 0 BDAERO CC(C)=C(F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309914215 187310759 /nfs/dbraw/zinc/31/07/59/187310759.db2.gz OJTMFETVZTYDQM-SECBINFHSA-N 1 0 214.284 1.508 10 0 BDAERO Cc1nccn1-c1ncc(N)cc1Cl ZINC000235808603 345915738 /nfs/dbraw/zinc/91/57/38/345915738.db2.gz JWKUMDUETZHKQS-UHFFFAOYSA-N 1 0 208.652 1.811 10 0 BDAERO [NH3+]C1CN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000083635319 345919502 /nfs/dbraw/zinc/91/95/02/345919502.db2.gz KAGZRHXDOVFNNH-UHFFFAOYSA-N 1 0 224.691 1.052 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2ncc[nH]2)C[C@H](C)O1 ZINC000282381527 187360681 /nfs/dbraw/zinc/36/06/81/187360681.db2.gz XJSFOOWZMULXES-UWVGGRQHSA-N 1 0 223.320 1.703 10 0 BDAERO CCOCC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000083887813 345920800 /nfs/dbraw/zinc/92/08/00/345920800.db2.gz CSWIFRQXEDTJCD-LBPRGKRZSA-N 1 0 240.347 1.014 10 0 BDAERO Cc1nc(Cl)ccc1N[C@@H]1CC[NH2+]C1 ZINC000235811915 345924538 /nfs/dbraw/zinc/92/45/38/345924538.db2.gz IQSBHNKCBNWCTA-MRVPVSSYSA-N 1 0 211.696 1.817 10 0 BDAERO c1csc(COC[C@@H]2CCCC[NH2+]2)n1 ZINC000087391736 345938180 /nfs/dbraw/zinc/93/81/80/345938180.db2.gz PANPMYPGTSUOIA-VIFPVBQESA-N 1 0 212.318 1.802 10 0 BDAERO CNc1cc(N2CCCCC2)nc(C)[nH+]1 ZINC000087806201 345940689 /nfs/dbraw/zinc/94/06/89/345940689.db2.gz WZHFOPBWSHRWQE-UHFFFAOYSA-N 1 0 206.293 1.817 10 0 BDAERO CC1(C)CC[NH+](CCC(N)=S)CC1 ZINC000061820047 345953013 /nfs/dbraw/zinc/95/30/13/345953013.db2.gz BAYNSQHBJCNINN-UHFFFAOYSA-N 1 0 200.351 1.785 10 0 BDAERO C(OC[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000019470122 187313310 /nfs/dbraw/zinc/31/33/10/187313310.db2.gz VVVGVVZMJUSSLT-GFCCVEGCSA-N 1 0 213.321 1.572 10 0 BDAERO CCOC(=O)[C@@H](C)N1CC[NH2+]Cc2ccccc21 ZINC000062819064 187362387 /nfs/dbraw/zinc/36/23/87/187362387.db2.gz SVPHUCFJHUAURA-LLVKDONJSA-N 1 0 248.326 1.548 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1ccc(Br)o1 ZINC000096984891 187363398 /nfs/dbraw/zinc/36/33/98/187363398.db2.gz MLWJZVRDSQCNSB-ZETCQYMHSA-N 1 0 245.120 1.618 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cocn1 ZINC000191942020 187314087 /nfs/dbraw/zinc/31/40/87/187314087.db2.gz SRHJBCMGBHEAMJ-GFCCVEGCSA-N 1 0 223.320 1.591 10 0 BDAERO C=Cn1cc(C[NH2+]CCc2nc(C)no2)cn1 ZINC000194294341 187315556 /nfs/dbraw/zinc/31/55/56/187315556.db2.gz SPDHYZYNSNOPBO-UHFFFAOYSA-N 1 0 233.275 1.007 10 0 BDAERO C=Cn1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000193918352 187315799 /nfs/dbraw/zinc/31/57/99/187315799.db2.gz MVQJBMPAUUTEFF-CYBMUJFWSA-N 1 0 232.331 1.264 10 0 BDAERO Cc1nc(C[C@@H](O)[C@H]2CCC[NH2+]2)cs1 ZINC000235935375 346172334 /nfs/dbraw/zinc/17/23/34/346172334.db2.gz WRLVRIRHYHKOSH-NXEZZACHSA-N 1 0 212.318 1.107 10 0 BDAERO O=C1CCCC[C@@H]1C[N@@H+]1CCCOCC1 ZINC000061934050 346177426 /nfs/dbraw/zinc/17/74/26/346177426.db2.gz VQUUMWAZYQLKTC-LLVKDONJSA-N 1 0 211.305 1.468 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1n1cnc(Br)c1 ZINC000669375185 537953163 /nfs/dbraw/zinc/95/31/63/537953163.db2.gz USRQDYKXAVUURU-RNFRBKRXSA-N 1 0 230.109 1.426 10 0 BDAERO F[C@H](Cc1nccs1)[C@H]1CCC[NH2+]1 ZINC000236162382 346204014 /nfs/dbraw/zinc/20/40/14/346204014.db2.gz SQVURYSQOXOXQJ-HTQZYQBOSA-N 1 0 200.282 1.776 10 0 BDAERO [NH3+]CCC(=O)Nc1ccc(C2OCCO2)cc1 ZINC000236240222 346213960 /nfs/dbraw/zinc/21/39/60/346213960.db2.gz PPYDWUVDJLFAJG-UHFFFAOYSA-N 1 0 236.271 1.019 10 0 BDAERO O=[S@](c1cccs1)C1CC[NH2+]CC1 ZINC000034163416 346214033 /nfs/dbraw/zinc/21/40/33/346214033.db2.gz GLXIHPSNUZNBPQ-CYBMUJFWSA-N 1 0 215.343 1.608 10 0 BDAERO Cn1nnc(Br)c1[C@]1(C)CCC[NH2+]1 ZINC000236143937 346197814 /nfs/dbraw/zinc/19/78/14/346197814.db2.gz AAURGXZPRDRBKN-QMMMGPOBSA-N 1 0 245.124 1.176 10 0 BDAERO Fc1cc(F)c(CC2C[NH2+]C2)cc1F ZINC000236252025 346216213 /nfs/dbraw/zinc/21/62/13/346216213.db2.gz JHEMVCOPGFJQAQ-UHFFFAOYSA-N 1 0 201.191 1.866 10 0 BDAERO Cc1cccc(=O)n1CC[NH2+]Cc1cccnc1 ZINC000053534210 179003176 /nfs/dbraw/zinc/00/31/76/179003176.db2.gz JGTVMTNDQBGZST-UHFFFAOYSA-N 1 0 243.310 1.342 10 0 BDAERO Cc1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000082281996 179011397 /nfs/dbraw/zinc/01/13/97/179011397.db2.gz SVRWFJIAMJXCMO-NSHDSACASA-N 1 0 233.315 1.166 10 0 BDAERO CC(C)COCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111263927 187317212 /nfs/dbraw/zinc/31/72/12/187317212.db2.gz VUGHGEIJJUTYKJ-RYUDHWBXSA-N 1 0 242.363 1.021 10 0 BDAERO O[C@H](Cc1cncs1)[C@H]1CCCC[NH2+]1 ZINC000236556574 346250161 /nfs/dbraw/zinc/25/01/61/346250161.db2.gz MELZBNQZQGDINI-NXEZZACHSA-N 1 0 212.318 1.189 10 0 BDAERO CC(C)([NH3+])c1nnc(-c2cccs2)o1 ZINC000083345846 187318777 /nfs/dbraw/zinc/31/87/77/187318777.db2.gz TZCAFBONHVIHLO-UHFFFAOYSA-N 1 0 209.274 1.992 10 0 BDAERO [NH3+]CC1([C@H](O)c2scnc2Cl)CC1 ZINC000669377488 537964814 /nfs/dbraw/zinc/96/48/14/537964814.db2.gz RFYTYMAIFARNHJ-ZCFIWIBFSA-N 1 0 218.709 1.569 10 0 BDAERO CSc1cnc([C@H](O)CC[NH3+])s1 ZINC000669377869 537966456 /nfs/dbraw/zinc/96/64/56/537966456.db2.gz ZFQXNUTYKRXROX-RXMQYKEDSA-N 1 0 204.320 1.247 10 0 BDAERO O=C(c1occc1Br)[C@H]1CCC[NH2+]1 ZINC000167645914 346296312 /nfs/dbraw/zinc/29/63/12/346296312.db2.gz MLJKCPHVDTTZFU-SSDOTTSWSA-N 1 0 244.088 1.977 10 0 BDAERO CC(C)=C(F)C(=O)N1CCC([NH3+])CC1 ZINC000236719146 346296694 /nfs/dbraw/zinc/29/66/94/346296694.db2.gz VEHGNPBPYMTDKH-UHFFFAOYSA-N 1 0 200.257 1.200 10 0 BDAERO Cc1nn(C)c(N(C)C)c1C[NH2+]CC1CC1 ZINC000390671259 346297867 /nfs/dbraw/zinc/29/78/67/346297867.db2.gz VMSKZWVJIDQHSJ-UHFFFAOYSA-N 1 0 222.336 1.294 10 0 BDAERO COC(=O)c1occc1C[NH2+][C@H]1C[C@H]1C ZINC000052274550 346304214 /nfs/dbraw/zinc/30/42/14/346304214.db2.gz QWWQREQYWUSZAN-APPZFPTMSA-N 1 0 209.245 1.564 10 0 BDAERO CC(C)C[C@H]([NH2+]Cc1ccccc1)C(N)=O ZINC000034453138 346288634 /nfs/dbraw/zinc/28/86/34/346288634.db2.gz CUCDSXGGOIXQPU-LBPRGKRZSA-N 1 0 220.316 1.676 10 0 BDAERO Cc1cccc(C)c1-c1nnc(CC[NH3+])o1 ZINC000083349047 179028693 /nfs/dbraw/zinc/02/86/93/179028693.db2.gz URARYFMMFXVDIZ-UHFFFAOYSA-N 1 0 217.272 1.855 10 0 BDAERO C[C@H]1NCCn2c(C(F)(F)F)cnc21 ZINC000222923349 187319735 /nfs/dbraw/zinc/31/97/35/187319735.db2.gz OUUZOBSSJKJJSL-RXMQYKEDSA-N 1 0 205.183 1.566 10 0 BDAERO Cc1nc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)[nH]c1C ZINC000628279771 346290956 /nfs/dbraw/zinc/29/09/56/346290956.db2.gz YONDPUBERPTBOF-BXKDBHETSA-N 1 0 236.363 1.408 10 0 BDAERO Cc1cccc(C)c1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000096811178 179036956 /nfs/dbraw/zinc/03/69/56/179036956.db2.gz GOLCDURLKNNVAA-AWEZNQCLSA-N 1 0 248.370 1.724 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NC2(C3CC3)CC2)C1 ZINC000381560353 346350880 /nfs/dbraw/zinc/35/08/80/346350880.db2.gz QEMCVWNBQPZFGT-WCBMZHEXSA-N 1 0 208.305 1.173 10 0 BDAERO Cc1cccc(CC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000041211765 179052815 /nfs/dbraw/zinc/05/28/15/179052815.db2.gz JIYVDFZVHCSBAA-LBPRGKRZSA-N 1 0 203.285 1.859 10 0 BDAERO OCC[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000161583071 346338101 /nfs/dbraw/zinc/33/81/01/346338101.db2.gz RWWQQYLTYPYOLY-MRVPVSSYSA-N 1 0 211.227 1.643 10 0 BDAERO Cc1cccc(CCOC(=O)CC[NH3+])c1 ZINC000077300333 179061323 /nfs/dbraw/zinc/06/13/23/179061323.db2.gz XNQLOQQWWBKKIW-UHFFFAOYSA-N 1 0 207.273 1.430 10 0 BDAERO CCCNC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000669378939 537973253 /nfs/dbraw/zinc/97/32/53/537973253.db2.gz PBOBWGQPMJGXLL-NXEZZACHSA-N 1 0 213.325 1.023 10 0 BDAERO CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000173647058 346398301 /nfs/dbraw/zinc/39/83/01/346398301.db2.gz BYNZJEDTUKWZBV-NEPJUHHUSA-N 1 0 223.320 1.328 10 0 BDAERO C[C@H]1CSCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000069762029 349957905 /nfs/dbraw/zinc/95/79/05/349957905.db2.gz BSZQGKNKWNWAEM-WDEREUQCSA-N 1 0 242.388 1.340 10 0 BDAERO Cc1nc(C[C@@]2(F)CC[NH2+]C2)cs1 ZINC000158182555 346391951 /nfs/dbraw/zinc/39/19/51/346391951.db2.gz YHRVRYDLELRWNL-VIFPVBQESA-N 1 0 200.282 1.696 10 0 BDAERO CC(C)[NH2+]CCN(C)C(=O)N[C@H](C)C(C)C ZINC000669379207 537975855 /nfs/dbraw/zinc/97/58/55/537975855.db2.gz XDYSGIOCDMWYDM-LLVKDONJSA-N 1 0 229.368 1.670 10 0 BDAERO CCCC(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669379096 537976009 /nfs/dbraw/zinc/97/60/09/537976009.db2.gz XABBWBDSTUFASQ-SECBINFHSA-N 1 0 208.252 1.275 10 0 BDAERO CCC[C@H](C)C(=O)N1CCC[NH2+]CC12CC2 ZINC000725241259 537977735 /nfs/dbraw/zinc/97/77/35/537977735.db2.gz CICSCGFPTDRFJM-NSHDSACASA-N 1 0 224.348 1.777 10 0 BDAERO CC(C)CNC(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669379504 537979331 /nfs/dbraw/zinc/97/93/31/537979331.db2.gz DGVWJNCTUAJYEV-JTQLQIEISA-N 1 0 237.294 1.314 10 0 BDAERO CCC[C@@H](C)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000669379395 537979688 /nfs/dbraw/zinc/97/96/88/537979688.db2.gz ZPYMMGDUWAGKMZ-IJLUTSLNSA-N 1 0 226.364 1.784 10 0 BDAERO C[C@@H]1CCS[C@@]2(CC[NH2+]C[C@@H]2C)N1 ZINC000229565571 346437554 /nfs/dbraw/zinc/43/75/54/346437554.db2.gz RQEGCTUXWWQDLD-IVZWLZJFSA-N 1 0 200.351 1.427 10 0 BDAERO Cc1cccc(CN2C[C@H](C[NH3+])OC2=O)c1 ZINC000019668888 179084411 /nfs/dbraw/zinc/08/44/11/179084411.db2.gz MAMQQKZWBJUVOM-NSHDSACASA-N 1 0 220.272 1.275 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CCC[NH2+]CC12CC2 ZINC000725241938 537980996 /nfs/dbraw/zinc/98/09/96/537980996.db2.gz WXHKUWJZBXVPOC-NSHDSACASA-N 1 0 224.348 1.633 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000170858263 346462543 /nfs/dbraw/zinc/46/25/43/346462543.db2.gz FDNJALFJTOYKKR-RYUDHWBXSA-N 1 0 222.332 1.505 10 0 BDAERO OCC1CCN([C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241793 537981247 /nfs/dbraw/zinc/98/12/47/537981247.db2.gz PXVDNKDDHSEWDC-ZIAGYGMSSA-N 1 0 238.375 1.318 10 0 BDAERO C[C@H](C(N)=[NH2+])N1CCS[C@@H](C)[C@@H]1C ZINC000222011899 349969951 /nfs/dbraw/zinc/96/99/51/349969951.db2.gz RUHKFWIASUNFBN-RNJXMRFFSA-N 1 0 201.339 1.137 10 0 BDAERO CC[C@H](N[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C(=O)OC ZINC000725241934 537981827 /nfs/dbraw/zinc/98/18/27/537981827.db2.gz WVWWOUUQCJSMFE-WOPDTQHZSA-N 1 0 240.347 1.154 10 0 BDAERO Cc1cccc(N(C)C[C@]2(C[NH3+])CCOC2)c1 ZINC000051252488 179115068 /nfs/dbraw/zinc/11/50/68/179115068.db2.gz IMSZXXWUULAAMA-CQSZACIVSA-N 1 0 234.343 1.797 10 0 BDAERO Cc1cccc(Cn2ccnc2CC[NH3+])c1 ZINC000052304145 179109331 /nfs/dbraw/zinc/10/93/31/179109331.db2.gz SFHZHENDSCHMTD-UHFFFAOYSA-N 1 0 215.300 1.741 10 0 BDAERO CS(=O)(=O)Cc1ccc(C[NH3+])cc1Cl ZINC000163832360 346579315 /nfs/dbraw/zinc/57/93/15/346579315.db2.gz OCRJXPGGVNAZMJ-UHFFFAOYSA-N 1 0 233.720 1.343 10 0 BDAERO [NH3+]C[C@@H](c1cccs1)N1CCCCO1 ZINC000164215970 346596395 /nfs/dbraw/zinc/59/63/95/346596395.db2.gz FHLRPYCHVWQQAW-VIFPVBQESA-N 1 0 212.318 1.775 10 0 BDAERO [NH3+][C@H](Cc1nccs1)c1ccnnc1 ZINC000164534159 346608181 /nfs/dbraw/zinc/60/81/81/346608181.db2.gz PYJZYWVXKQRKAC-MRVPVSSYSA-N 1 0 206.274 1.176 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC(OC(C)C)CC1 ZINC000580191172 346645518 /nfs/dbraw/zinc/64/55/18/346645518.db2.gz OOMLNIAPJCESGY-GFCCVEGCSA-N 1 0 242.363 1.530 10 0 BDAERO CO[C@H]1C[NH2+]C[C@H]1Nc1nc(Cl)cs1 ZINC000165283779 346646387 /nfs/dbraw/zinc/64/63/87/346646387.db2.gz AUTYFNCZJQPVRA-RITPCOANSA-N 1 0 233.724 1.195 10 0 BDAERO Clc1csc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000165335843 346647862 /nfs/dbraw/zinc/64/78/62/346647862.db2.gz MKMNAMSTANCYBG-ZCFIWIBFSA-N 1 0 217.725 1.818 10 0 BDAERO CSCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000381857214 346655477 /nfs/dbraw/zinc/65/54/77/346655477.db2.gz VDRRNKOKRPNZAI-NXEZZACHSA-N 1 0 230.377 1.100 10 0 BDAERO Cc1cccc(NC(=O)CN(CC[NH3+])C(C)C)c1 ZINC000041160494 179128145 /nfs/dbraw/zinc/12/81/45/179128145.db2.gz GEPWRWUQLZWAGY-UHFFFAOYSA-N 1 0 249.358 1.603 10 0 BDAERO Cc1cccc(NC(=O)C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000052287831 179128675 /nfs/dbraw/zinc/12/86/75/179128675.db2.gz WSTPDZIWXJRAQD-JQWIXIFHSA-N 1 0 218.300 1.932 10 0 BDAERO CC(C)[N@H+](C)C[C@H](O)CCC1(O)CCC1 ZINC000669379964 537984959 /nfs/dbraw/zinc/98/49/59/537984959.db2.gz NMWSESBPJUGQAB-LLVKDONJSA-N 1 0 215.337 1.383 10 0 BDAERO CSC[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000308153303 346706183 /nfs/dbraw/zinc/70/61/83/346706183.db2.gz RWPCZDXXZXMWNO-IUCAKERBSA-N 1 0 205.367 1.735 10 0 BDAERO Cc1cccc(NCCC(=O)N2CCCC2)[nH+]1 ZINC000114184364 179143496 /nfs/dbraw/zinc/14/34/96/179143496.db2.gz ZYSDFDRQCXCPAT-UHFFFAOYSA-N 1 0 233.315 1.814 10 0 BDAERO [NH3+]C[C@]1(Cc2cscn2)CCCS1 ZINC000166502816 346678126 /nfs/dbraw/zinc/67/81/26/346678126.db2.gz ZHVPEOSKPSDANC-SECBINFHSA-N 1 0 214.359 1.910 10 0 BDAERO CC(=O)N1CC[C@@H]2CCCC[C@H]2[C@H]1C[NH3+] ZINC000669380087 537985416 /nfs/dbraw/zinc/98/54/16/537985416.db2.gz IKFZILBCICFSNO-QJPTWQEYSA-N 1 0 210.321 1.372 10 0 BDAERO COC[C@]1(C(C)C)[NH2+]CCc2ncn(C)c21 ZINC000725242597 537986364 /nfs/dbraw/zinc/98/63/64/537986364.db2.gz KBSBDGRYHPODJQ-GFCCVEGCSA-N 1 0 223.320 1.064 10 0 BDAERO Cc1cccc(OCCCNC(=O)C[NH3+])c1C ZINC000041271169 179164181 /nfs/dbraw/zinc/16/41/81/179164181.db2.gz MVVAUOWIEFYYPI-UHFFFAOYSA-N 1 0 236.315 1.147 10 0 BDAERO Cc1cccc(OCCN2CC[NH2+]C[C@H](C)C2)c1 ZINC000044418298 179165788 /nfs/dbraw/zinc/16/57/88/179165788.db2.gz DWHUXNHFTZWJRS-AWEZNQCLSA-N 1 0 248.370 1.915 10 0 BDAERO CCC[C@H](OC)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242710 537986785 /nfs/dbraw/zinc/98/67/85/537986785.db2.gz LTVZNSQCAFWOLN-QWRGUYRKSA-N 1 0 223.320 1.422 10 0 BDAERO Cc1nc(C[NH3+])sc1-c1nccc(C)n1 ZINC000669380355 537986684 /nfs/dbraw/zinc/98/66/84/537986684.db2.gz LKDCBDPKELBURY-UHFFFAOYSA-N 1 0 220.301 1.676 10 0 BDAERO CCC(C)(C)[NH2+]Cc1nc(CO)cs1 ZINC000669380001 537986834 /nfs/dbraw/zinc/98/68/34/537986834.db2.gz OOMLBIIEVISSJU-UHFFFAOYSA-N 1 0 214.334 1.914 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(CCO)C2)C1 ZINC000309783707 347163166 /nfs/dbraw/zinc/16/31/66/347163166.db2.gz NMHTZZIMLKNFGN-AGIUHOORSA-N 1 0 226.364 1.221 10 0 BDAERO CC(C)CC(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675055144 537987817 /nfs/dbraw/zinc/98/78/17/537987817.db2.gz NSJJNXHFZQJXFI-UHFFFAOYSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1cccc([C@@H]([C@H](C)[NH3+])n2cncn2)c1 ZINC000042967735 179189555 /nfs/dbraw/zinc/18/95/55/179189555.db2.gz MRZYRFLZZMMKIO-CMPLNLGQSA-N 1 0 216.288 1.523 10 0 BDAERO CN(Cc1cscn1)[C@H]1CCC[C@H]1[NH3+] ZINC000250241474 362796987 /nfs/dbraw/zinc/79/69/87/362796987.db2.gz REDBFAWIGYFOEE-ZJUUUORDSA-N 1 0 211.334 1.455 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N2CCC[C@H](O)C2)c1 ZINC000042966412 179198656 /nfs/dbraw/zinc/19/86/56/179198656.db2.gz WFDIHJMXMOTTJM-KBPBESRZSA-N 1 0 234.343 1.452 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1[S@](=O)c1ccccc1 ZINC000250539758 362809764 /nfs/dbraw/zinc/80/97/64/362809764.db2.gz QYTRWDBGPDBWMI-UHIISALHSA-N 1 0 209.314 1.674 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)c2cccc(C)c2)C1 ZINC000310333918 347267498 /nfs/dbraw/zinc/26/74/98/347267498.db2.gz WWBNNAFJOKDTHB-CHWSQXEVSA-N 1 0 248.326 1.335 10 0 BDAERO Clc1ccc(NC[C@H]2C[NH2+]CCCO2)nc1 ZINC000390162956 347267554 /nfs/dbraw/zinc/26/75/54/347267554.db2.gz ALYMXGMDMOVMQI-SNVBAGLBSA-N 1 0 241.722 1.525 10 0 BDAERO CC(C)[S@](=O)[C@H]1CCC(C)(C)[C@H]1[NH3+] ZINC000250564422 362810932 /nfs/dbraw/zinc/81/09/32/362810932.db2.gz BARYWQJJCKNGHT-RVBZMBCESA-N 1 0 203.351 1.659 10 0 BDAERO CC(C)[S@](=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000250577814 362811030 /nfs/dbraw/zinc/81/10/30/362811030.db2.gz QAYQVSNFJKONKS-KWBADKCTSA-N 1 0 203.351 1.661 10 0 BDAERO Cc1cccc([C@H]([C@H](C)[NH3+])N(CCO)C2CC2)c1 ZINC000042967510 179203784 /nfs/dbraw/zinc/20/37/84/179203784.db2.gz KMMNIXKRVIBONT-WFASDCNBSA-N 1 0 248.370 1.840 10 0 BDAERO COCc1ccccc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000335617015 136741981 /nfs/dbraw/zinc/74/19/81/136741981.db2.gz LLFRWVSYJUAZRK-GWCFXTLKSA-N 1 0 248.326 1.252 10 0 BDAERO C[NH2+][C@H]1CCCN([C@H]2CCCSC2)C1 ZINC000250762323 362819689 /nfs/dbraw/zinc/81/96/89/362819689.db2.gz ROTLVPOVCGAQPS-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO Cc1cccc2c1S(=O)(=O)[C@H](C)C[C@H]2[NH3+] ZINC000037665955 179222613 /nfs/dbraw/zinc/22/26/13/179222613.db2.gz AERSWKTWPUNHOR-PSASIEDQSA-N 1 0 225.313 1.561 10 0 BDAERO Cc1cccc2c1S(=O)(=O)[C@@H](C)[C@H]2[NH3+] ZINC000043636705 179223016 /nfs/dbraw/zinc/22/30/16/179223016.db2.gz ARHCGLOEDBETPN-IONNQARKSA-N 1 0 211.286 1.171 10 0 BDAERO Cc1cccc2c1[S@](=O)CCC[C@@H]2[NH3+] ZINC000040977676 179225251 /nfs/dbraw/zinc/22/52/51/179225251.db2.gz KBOZLKPYMGDABD-HZMBPMFUSA-N 1 0 209.314 1.896 10 0 BDAERO NC[C@@H]1CCCC[N@@H+]1[C@H]1CCCSC1 ZINC000250850406 362823384 /nfs/dbraw/zinc/82/33/84/362823384.db2.gz OCLRFILAMODRSO-QWRGUYRKSA-N 1 0 214.378 1.695 10 0 BDAERO Cc1cccc2c1NC(=O)[C@@]21CC[NH2+]C1 ZINC000107144447 179220309 /nfs/dbraw/zinc/22/03/09/179220309.db2.gz QIDXNIYJGLUGQP-GFCCVEGCSA-N 1 0 202.257 1.178 10 0 BDAERO CC[N@H+](CC(C)C)CC12CC(CO)(C1)CO2 ZINC000669380425 537989587 /nfs/dbraw/zinc/98/95/87/537989587.db2.gz YXAJCWOPBAQFBK-UHFFFAOYSA-N 1 0 227.348 1.506 10 0 BDAERO N[C@@]1(c2ncon2)CC[N@H+](Cc2ccccc2)C1 ZINC000036761914 347451090 /nfs/dbraw/zinc/45/10/90/347451090.db2.gz WMNSXGYVENYNMB-ZDUSSCGKSA-N 1 0 244.298 1.130 10 0 BDAERO C1C[C@@]2(NCCCS2)[C@H]2CCCC[N@H+]12 ZINC000227925892 347421718 /nfs/dbraw/zinc/42/17/18/347421718.db2.gz VBHPLIKELJUROT-MNOVXSKESA-N 1 0 212.362 1.667 10 0 BDAERO CC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518165 347456356 /nfs/dbraw/zinc/45/63/56/347456356.db2.gz MOSMYQVQCLSVRT-SNVBAGLBSA-N 1 0 209.293 1.652 10 0 BDAERO CCCc1nc([C@@]2([NH3+])CCSC2)no1 ZINC000036763350 347449490 /nfs/dbraw/zinc/44/94/90/347449490.db2.gz KWJUDSNWYUMLHM-SECBINFHSA-N 1 0 213.306 1.313 10 0 BDAERO C[C@H](CCCC[NH3+])Nc1ncnc2c1CCC2 ZINC000380106395 365882773 /nfs/dbraw/zinc/88/27/73/365882773.db2.gz YOCLGBNKXPANPI-SNVBAGLBSA-N 1 0 234.347 1.895 10 0 BDAERO Cc1ccccc1CCN1C[C@@H]([NH3+])CC1=O ZINC000057939492 179263081 /nfs/dbraw/zinc/26/30/81/179263081.db2.gz ACKUVDJQUHIUNE-LBPRGKRZSA-N 1 0 218.300 1.097 10 0 BDAERO C=CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000616569258 347643353 /nfs/dbraw/zinc/64/33/53/347643353.db2.gz HQTXSRGXFSBQMF-STQMWFEESA-N 1 0 248.301 1.573 10 0 BDAERO Cc1ccccc1CN(C)[C@@]1(C[NH3+])CCOC1 ZINC000104070776 179269281 /nfs/dbraw/zinc/26/92/81/179269281.db2.gz QVFQKUBXALBMOZ-CQSZACIVSA-N 1 0 234.343 1.545 10 0 BDAERO Cc1ccccc1CN1C[C@@H](C[NH3+])OC1=O ZINC000019668883 179275945 /nfs/dbraw/zinc/27/59/45/179275945.db2.gz IJVLPIRCOCPXFD-LLVKDONJSA-N 1 0 220.272 1.275 10 0 BDAERO Cc1ccccc1CN1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886497 179276373 /nfs/dbraw/zinc/27/63/73/179276373.db2.gz YFIHCRKVOMCHDF-AWEZNQCLSA-N 1 0 248.370 1.933 10 0 BDAERO O=C(CC1CC1)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000616569696 347805617 /nfs/dbraw/zinc/80/56/17/347805617.db2.gz BXPCLZSKTQOFQS-MNOVXSKESA-N 1 0 208.305 1.139 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccccc1 ZINC000616569647 347807267 /nfs/dbraw/zinc/80/72/67/347807267.db2.gz JGYVGWYLIDWHRP-KGLIPLIRSA-N 1 0 246.354 1.733 10 0 BDAERO Cc1ccccc1C[C@H]1[NH2+]CCC[C@@H]1O ZINC000039105422 179292310 /nfs/dbraw/zinc/29/23/10/179292310.db2.gz BXKQBVHCRGPJOA-OLZOCXBDSA-N 1 0 205.301 1.650 10 0 BDAERO CCCNC(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669380911 537993052 /nfs/dbraw/zinc/99/30/52/537993052.db2.gz RWIKBVWIRYRWIO-SECBINFHSA-N 1 0 223.267 1.068 10 0 BDAERO CC[C@H]([NH3+])CNc1ccc(Br)cn1 ZINC000082579246 347853754 /nfs/dbraw/zinc/85/37/54/347853754.db2.gz LOMXIKMTOXEYQQ-QMMMGPOBSA-N 1 0 244.136 1.993 10 0 BDAERO Cc1ccccc1NC(=O)C[NH2+][C@H]1C[C@@H]1C ZINC000052287844 179299032 /nfs/dbraw/zinc/29/90/32/179299032.db2.gz CEJCBPRTGHUVRA-JQWIXIFHSA-N 1 0 218.300 1.932 10 0 BDAERO NC(=S)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000036827009 347873079 /nfs/dbraw/zinc/87/30/79/347873079.db2.gz IBTHKGJOULNLJW-VHSXEESVSA-N 1 0 212.362 1.927 10 0 BDAERO Cc1ccccc1[C@@H](C)N1C[C@@H]([NH3+])CC1=O ZINC000049526776 179317981 /nfs/dbraw/zinc/31/79/81/179317981.db2.gz NKNAUYTWBDGGPV-MNOVXSKESA-N 1 0 218.300 1.616 10 0 BDAERO Nc1c2ccccc2nc2c1C[C@H]([NH3+])CC2 ZINC000669381618 537994672 /nfs/dbraw/zinc/99/46/72/537994672.db2.gz PNQDEZUWSJPLIC-MRVPVSSYSA-N 1 0 213.284 1.463 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCC[NH3+] ZINC000237633150 179329378 /nfs/dbraw/zinc/32/93/78/179329378.db2.gz JDPYATZEHOFZGH-STQMWFEESA-N 1 0 232.327 1.564 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])N1CCCC[C@@H]1CO ZINC000043036008 179342773 /nfs/dbraw/zinc/34/27/73/179342773.db2.gz XQQPSIGRLGNIFY-HIFRSBDPSA-N 1 0 248.370 1.842 10 0 BDAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCC(O)CC1 ZINC000043033643 179346297 /nfs/dbraw/zinc/34/62/97/179346297.db2.gz XXEGIDCOVRQDOD-WFASDCNBSA-N 1 0 248.370 1.840 10 0 BDAERO Cc1cccnc1-c1nc(C[C@H](C)[NH3+])no1 ZINC000054161098 179356533 /nfs/dbraw/zinc/35/65/33/179356533.db2.gz PJODQYSLLDWPKA-QMMMGPOBSA-N 1 0 218.260 1.330 10 0 BDAERO Cc1ccccc1[C@](C)([NH2+]CC(C)C)C(N)=O ZINC000037951915 179350843 /nfs/dbraw/zinc/35/08/43/179350843.db2.gz NCCIITQRCJQAGS-AWEZNQCLSA-N 1 0 234.343 1.941 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](C)C(C)C ZINC000616571153 348171515 /nfs/dbraw/zinc/17/15/15/348171515.db2.gz PLTHDWUJOJWNMF-IJLUTSLNSA-N 1 0 226.364 1.783 10 0 BDAERO CCOC(=O)c1cc2c(NC)cc[nH+]c2[nH]c1=O ZINC000221903062 348194234 /nfs/dbraw/zinc/19/42/34/348194234.db2.gz YXCISSLQQFKXCP-UHFFFAOYSA-N 1 0 247.254 1.142 10 0 BDAERO Cc1c(C[NH2+]CCc2ncccc2C)cnn1C ZINC000295115438 179371190 /nfs/dbraw/zinc/37/11/90/179371190.db2.gz WRWBVMZDRUEYQA-UHFFFAOYSA-N 1 0 244.342 1.764 10 0 BDAERO CCC(=O)N[C@@H]1CCC[C@@H]2C[NH2+]CC[C@H]12 ZINC000669382462 538000085 /nfs/dbraw/zinc/00/00/85/538000085.db2.gz LINNEBWFZYKQEA-OUAUKWLOSA-N 1 0 210.321 1.291 10 0 BDAERO O=C(N(C1CC1)C1CC[NH2+]CC1)C(F)(F)F ZINC000223651835 348239069 /nfs/dbraw/zinc/23/90/69/348239069.db2.gz LVAFNPGWMIDFMT-UHFFFAOYSA-N 1 0 236.237 1.292 10 0 BDAERO CCC[C@H](C)NC(=O)[C@H]([NH3+])[C@H](C)CC ZINC000251398003 362869242 /nfs/dbraw/zinc/86/92/42/362869242.db2.gz ZIEHXSRHJYESMP-KXUCPTDWSA-N 1 0 200.326 1.665 10 0 BDAERO COc1ccc2oc(NC[C@H](C)[NH3+])nc2c1 ZINC000212440028 490148884 /nfs/dbraw/zinc/14/88/84/490148884.db2.gz CJHZMTBMWHPQRQ-ZETCQYMHSA-N 1 0 221.260 1.596 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CS1 ZINC000251670135 362896146 /nfs/dbraw/zinc/89/61/46/362896146.db2.gz ABMWLNIOKCBKFW-CHWFTXMASA-N 1 0 215.362 1.631 10 0 BDAERO Cc1ccn(-c2c(F)cc(C[NH3+])cc2F)n1 ZINC000062719851 179399115 /nfs/dbraw/zinc/39/91/15/179399115.db2.gz MXYIMVXROLSFSP-UHFFFAOYSA-N 1 0 223.226 1.918 10 0 BDAERO C[C@@H]1CCC[C@]([NH2+]C2CC2)(C(N)=O)[C@H]1C ZINC000251563615 362887474 /nfs/dbraw/zinc/88/74/74/362887474.db2.gz BKZGJIOPQWZOIG-VDDIYKPWSA-N 1 0 210.321 1.419 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CC[C@H](C)C1 ZINC000251629483 362892575 /nfs/dbraw/zinc/89/25/75/362892575.db2.gz IGCUGPVNNCDINQ-LPEHRKFASA-N 1 0 200.351 1.032 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]([C@H]2CCCOC2)S1 ZINC000251754535 362906653 /nfs/dbraw/zinc/90/66/53/362906653.db2.gz SQQQPWBSRQIVFY-KXUCPTDWSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@]([NH3+])(c1ccccc1F)[C@@H](F)CO ZINC000204607004 348354993 /nfs/dbraw/zinc/35/49/93/348354993.db2.gz LAOJSOZEVPVAHW-VHSXEESVSA-N 1 0 201.216 1.330 10 0 BDAERO CCC(CC)(CO)C[NH2+]CC(C)(C)O ZINC000088176757 362918951 /nfs/dbraw/zinc/91/89/51/362918951.db2.gz WTPCWDXLLWMMRQ-UHFFFAOYSA-N 1 0 203.326 1.146 10 0 BDAERO C[C@H]1CC[N@H+](C[C@H]2CSCCN2)C1 ZINC000251794103 362923008 /nfs/dbraw/zinc/92/30/08/362923008.db2.gz XIDQHZQGLWJQLZ-UWVGGRQHSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@@H](NC(=O)C[NH2+]C1CC1)c1cccs1 ZINC000037390233 348404326 /nfs/dbraw/zinc/40/43/26/348404326.db2.gz SQFYSSFGOAYFJC-MRVPVSSYSA-N 1 0 224.329 1.677 10 0 BDAERO CC[C@](C)([NH3+])CN1CCS[C@@H](C)[C@@H]1C ZINC000222021231 349988298 /nfs/dbraw/zinc/98/82/98/349988298.db2.gz WVHZUMUUVYXTNU-DCAQKATOSA-N 1 0 216.394 1.940 10 0 BDAERO Cc1ccnc(OC[C@H]2CCCC[NH2+]2)c1 ZINC000051883558 179462696 /nfs/dbraw/zinc/46/26/96/179462696.db2.gz JPRNMZVWAMBSGW-LLVKDONJSA-N 1 0 206.289 1.911 10 0 BDAERO C[C@@H]1CC[NH2+][C@H](C2CC2)[C@@H](C)[S@]1=O ZINC000251818696 362928404 /nfs/dbraw/zinc/92/84/04/362928404.db2.gz ZOJBJRXQHUWVTB-QKBQYUARSA-N 1 0 201.335 1.284 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000121124558 348462559 /nfs/dbraw/zinc/46/25/59/348462559.db2.gz QWPZDKVLKIEFRF-SCVCMEIPSA-N 1 0 210.321 1.433 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000669382998 538006719 /nfs/dbraw/zinc/00/67/19/538006719.db2.gz QUZQBSPYZZKOTI-MXWKQRLJSA-N 1 0 227.352 1.186 10 0 BDAERO CCOC(=O)[C@@H]1OC12CCC([NH+](C)C)CC2 ZINC000669383399 538007646 /nfs/dbraw/zinc/00/76/46/538007646.db2.gz PZGGCDSYJOVVEC-YZRBJQDESA-N 1 0 227.304 1.191 10 0 BDAERO [NH3+]C1(CNc2ncnc3[nH]ccc32)CCCCC1 ZINC000420148861 192163152 /nfs/dbraw/zinc/16/31/52/192163152.db2.gz UFKMBLOKDVAXRD-UHFFFAOYSA-N 1 0 245.330 1.453 10 0 BDAERO CC(C)c1ccc([C@@](C)([NH3+])C(N)=O)cc1 ZINC000037460130 348614643 /nfs/dbraw/zinc/61/46/43/348614643.db2.gz STAPKKNIQFVTQS-GFCCVEGCSA-N 1 0 206.289 1.469 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CCO1 ZINC000069862611 490190220 /nfs/dbraw/zinc/19/02/20/490190220.db2.gz RYTDGHOMGNCZLO-KKOKHZNYSA-N 1 0 213.321 1.447 10 0 BDAERO COC(=O)[C@]1(C)O[C@]12CCC[C@@H]([NH+](C)C)C2 ZINC000669383581 538010397 /nfs/dbraw/zinc/01/03/97/538010397.db2.gz SKZHONAOOLWOIX-USWWRNFRSA-N 1 0 227.304 1.191 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]Cc1cnc2ccnn2c1 ZINC000308819518 348711147 /nfs/dbraw/zinc/71/11/47/348711147.db2.gz BNPWQPGEZBDVIY-WPRPVWTQSA-N 1 0 202.261 1.227 10 0 BDAERO COC(=O)[C@@]1(Cl)OC12CCC([NH+](C)C)CC2 ZINC000669383637 538011212 /nfs/dbraw/zinc/01/12/12/538011212.db2.gz UFHWEGMIEWWJHL-BOBPJJCASA-N 1 0 247.722 1.368 10 0 BDAERO CC(C)N1C[C@@]2(C[C@H]2[NH3+])c2ccccc21 ZINC000725247766 538013445 /nfs/dbraw/zinc/01/34/45/538013445.db2.gz XNHUYAIGNDWBJC-OLZOCXBDSA-N 1 0 202.301 1.884 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCCN(C)c1ccccc1 ZINC000054071568 348873899 /nfs/dbraw/zinc/87/38/99/348873899.db2.gz YTCCOLIIITYJIA-GFCCVEGCSA-N 1 0 249.358 1.237 10 0 BDAERO CCOc1cccc(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000054074625 348875413 /nfs/dbraw/zinc/87/54/13/348875413.db2.gz LXGUBUVOLNIIAB-SECBINFHSA-N 1 0 222.288 1.632 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCc1cc(F)cc(F)c1 ZINC000054077036 348879807 /nfs/dbraw/zinc/87/98/07/348879807.db2.gz KKSIECDEIBKHKW-MRVPVSSYSA-N 1 0 242.269 1.231 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000054074506 348889586 /nfs/dbraw/zinc/88/95/86/348889586.db2.gz YTKSHZYEQFIFNV-HTQZYQBOSA-N 1 0 238.253 1.395 10 0 BDAERO CC(C)CCNc1noc2c1CC[NH2+]C2 ZINC000669384905 538018469 /nfs/dbraw/zinc/01/84/69/538018469.db2.gz MFYUUQHDWWCHOT-UHFFFAOYSA-N 1 0 209.293 1.778 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCc1ccccc1 ZINC000054290204 348962133 /nfs/dbraw/zinc/96/21/33/348962133.db2.gz RGYNZCCKLDTCRE-AWEZNQCLSA-N 1 0 246.354 1.735 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCc2ccccc21 ZINC000054290299 348962246 /nfs/dbraw/zinc/96/22/46/348962246.db2.gz ABERWPXZZUWPMV-GFCCVEGCSA-N 1 0 244.338 1.965 10 0 BDAERO Cc1cnn(Cc2ccc(C(N)=[NH2+])cc2)c1 ZINC000020426979 179743652 /nfs/dbraw/zinc/74/36/52/179743652.db2.gz FIMFKYSKLYJCFL-UHFFFAOYSA-N 1 0 214.272 1.524 10 0 BDAERO Cc1cnn(Cc2cccc(C[NH3+])c2)c1 ZINC000037676951 179744049 /nfs/dbraw/zinc/74/40/49/179744049.db2.gz ACSKALDROAGVDL-UHFFFAOYSA-N 1 0 201.273 1.699 10 0 BDAERO Cc1cnn([C@@H]2CC[N@@H+](C(C)C)C2)c1N ZINC000045658281 179746611 /nfs/dbraw/zinc/74/66/11/179746611.db2.gz OBSXTIRKLVOFKX-SNVBAGLBSA-N 1 0 208.309 1.429 10 0 BDAERO C/C=C/C(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616573318 349069693 /nfs/dbraw/zinc/06/96/93/349069693.db2.gz RFUQXUDSOXUVGF-GFAPAMAISA-N 1 0 218.300 1.899 10 0 BDAERO OC[C@]1(c2cc(F)ccc2F)CC[NH2+]C1 ZINC000616573701 349072386 /nfs/dbraw/zinc/07/23/86/349072386.db2.gz KGFUIWXYOODQDW-NSHDSACASA-N 1 0 213.227 1.188 10 0 BDAERO CN(C)c1nccnc1C[C@@H]1CCC[NH2+]C1 ZINC000616575042 349085575 /nfs/dbraw/zinc/08/55/75/349085575.db2.gz DTXFBYQFQCZVSD-JTQLQIEISA-N 1 0 220.320 1.085 10 0 BDAERO CC(C)C[C@@H](C[NH3+])Nc1ncnc2[nH]ccc21 ZINC000420178264 192170925 /nfs/dbraw/zinc/17/09/25/192170925.db2.gz AQTFMHNMEUXFQA-VIFPVBQESA-N 1 0 233.319 1.743 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000055421650 349093767 /nfs/dbraw/zinc/09/37/67/349093767.db2.gz IOLJRXUACIWSFG-SECBINFHSA-N 1 0 224.279 1.092 10 0 BDAERO CO[C@H]1CCC[NH2+][C@H]1CCC(=O)N1CCCC1 ZINC000616576543 349102171 /nfs/dbraw/zinc/10/21/71/349102171.db2.gz AFJOBRALUHJSOL-RYUDHWBXSA-N 1 0 240.347 1.156 10 0 BDAERO C=CC(=O)N1CCC2(CCCC[C@@H]2[NH3+])CC1 ZINC000616572988 349064307 /nfs/dbraw/zinc/06/43/07/349064307.db2.gz VTIJTFGFTYBXBF-NSHDSACASA-N 1 0 222.332 1.683 10 0 BDAERO CC(C)(CNC(=O)CC1CC1)C1CC[NH2+]CC1 ZINC000616572986 349064347 /nfs/dbraw/zinc/06/43/47/349064347.db2.gz VSNOHRNMCHTTGG-UHFFFAOYSA-N 1 0 238.375 1.929 10 0 BDAERO [NH3+][C@@]12CC[C@H]1CN(C(=O)Cc1ccccc1)C2 ZINC000616571979 349064555 /nfs/dbraw/zinc/06/45/55/349064555.db2.gz JHZRVAWKGLIUTH-GXTWGEPZSA-N 1 0 230.311 1.179 10 0 BDAERO C/C=C(/C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000616572334 349065988 /nfs/dbraw/zinc/06/59/88/349065988.db2.gz ROJZEPYPNMYRPS-CHFYJCTLSA-N 1 0 208.305 1.306 10 0 BDAERO CC[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000616577668 349117223 /nfs/dbraw/zinc/11/72/23/349117223.db2.gz KBZAJSAHHYDXSW-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO C1CC1[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000616578765 349127083 /nfs/dbraw/zinc/12/70/83/349127083.db2.gz PYILYUJYLCDGEX-WDEREUQCSA-N 1 0 212.362 1.318 10 0 BDAERO Cc1csc(SCCC(N)=[NH2+])n1 ZINC000019863729 179791010 /nfs/dbraw/zinc/79/10/10/179791010.db2.gz BLCWMPZNFSZIQC-UHFFFAOYSA-N 1 0 201.320 1.870 10 0 BDAERO C[C@@H]1CN([C@H](C[NH3+])C(C)(C)C)CCO1 ZINC000251848438 362941096 /nfs/dbraw/zinc/94/10/96/362941096.db2.gz REVWDRAWECZBLP-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2ccc(C=O)o2)C1 ZINC000062966120 349293295 /nfs/dbraw/zinc/29/32/95/349293295.db2.gz SJAPLMJCLAZAQP-SECBINFHSA-N 1 0 208.261 1.232 10 0 BDAERO Cc1n[nH]c(C)c1NC(=O)[C@](C)([NH3+])C1CC1 ZINC000037479020 179828926 /nfs/dbraw/zinc/82/89/26/179828926.db2.gz UZDDWVXYGKNALO-LLVKDONJSA-N 1 0 222.292 1.092 10 0 BDAERO Fc1ccc(CC[NH2+][C@@H]2COC[C@H]2F)cc1 ZINC000616580947 349262498 /nfs/dbraw/zinc/26/24/98/349262498.db2.gz ASDSBLLICNPYIE-VXGBXAGGSA-N 1 0 227.254 1.695 10 0 BDAERO CN1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000251129561 538036856 /nfs/dbraw/zinc/03/68/56/538036856.db2.gz GPLDXEWTCNLGQJ-WUHRBBMRSA-N 1 0 238.375 1.484 10 0 BDAERO c1cc(N[C@H]2CCC[NH2+]C2)nc(C2CC2)n1 ZINC000212229664 349310102 /nfs/dbraw/zinc/31/01/02/349310102.db2.gz QRYUGFTUAUFBDA-JTQLQIEISA-N 1 0 218.304 1.518 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)O1 ZINC000300786185 349322326 /nfs/dbraw/zinc/32/23/26/349322326.db2.gz ARVMPZQIPIKRGQ-OPRDCNLKSA-N 1 0 228.336 1.044 10 0 BDAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134597428 490263032 /nfs/dbraw/zinc/26/30/32/490263032.db2.gz UUGUYCBDBXISJZ-JVUFJMBOSA-N 1 0 209.293 1.546 10 0 BDAERO CSCCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601969855 349406795 /nfs/dbraw/zinc/40/67/95/349406795.db2.gz LYYAJKMCQPKICI-JQWIXIFHSA-N 1 0 242.388 1.245 10 0 BDAERO Cc1nc(C)n([C@H](C[NH3+])c2ccccc2F)n1 ZINC000043046407 179924618 /nfs/dbraw/zinc/92/46/18/179924618.db2.gz DDBJXCMXMZGIAY-GFCCVEGCSA-N 1 0 234.278 1.582 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C#N)cnn1 ZINC000396951233 350008804 /nfs/dbraw/zinc/00/88/04/350008804.db2.gz QKEMCTPGXJTYSP-LBPRGKRZSA-N 1 0 245.330 1.269 10 0 BDAERO COC1(C[C@H]([NH3+])c2ncccn2)CCC1 ZINC000725254877 538049398 /nfs/dbraw/zinc/04/93/98/538049398.db2.gz IARMXCVMQDIPRL-VIFPVBQESA-N 1 0 207.277 1.436 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1ccsc1 ZINC000082559232 490290181 /nfs/dbraw/zinc/29/01/81/490290181.db2.gz NZCOYGZRMXUSQT-MWLCHTKSSA-N 1 0 238.356 1.562 10 0 BDAERO CC(=O)C[C@@H](C)[N@@H+]1CCSC[C@@H]1C ZINC000218144448 350084470 /nfs/dbraw/zinc/08/44/70/350084470.db2.gz QWJRWHAPSMOZAG-BDAKNGLRSA-N 1 0 201.335 1.791 10 0 BDAERO Cc1nc(N)sc1S[C@H]1CCC[NH2+]C1 ZINC000043501730 180001219 /nfs/dbraw/zinc/00/12/19/180001219.db2.gz DHGMVJWAPILPGH-ZETCQYMHSA-N 1 0 229.374 1.878 10 0 BDAERO Cc1nc(N2CCCC2)nc(C)c1C[NH2+]C1CC1 ZINC000054854407 180001589 /nfs/dbraw/zinc/00/15/89/180001589.db2.gz MUSMCULXYPLXHB-UHFFFAOYSA-N 1 0 246.358 1.946 10 0 BDAERO Cc1nc(N2CCCOCC2)sc1[C@H](C)[NH3+] ZINC000061936839 180002185 /nfs/dbraw/zinc/00/21/85/180002185.db2.gz NZFABUGBOCXGGQ-QMMMGPOBSA-N 1 0 241.360 1.698 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[NH2+]CC2(C)C)O1 ZINC000302512927 350089406 /nfs/dbraw/zinc/08/94/06/350089406.db2.gz ZFYRETUKUMMEDH-GMTAPVOTSA-N 1 0 240.347 1.058 10 0 BDAERO Cc1nc(NC2CC[NH2+]CC2)sc1C ZINC000082656072 180015828 /nfs/dbraw/zinc/01/58/28/180015828.db2.gz AUPCKOCMAHEZEB-UHFFFAOYSA-N 1 0 211.334 1.924 10 0 BDAERO OCCN1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000390797409 350098268 /nfs/dbraw/zinc/09/82/68/350098268.db2.gz UBCYAGWYMTYOJN-GFCCVEGCSA-N 1 0 240.372 1.294 10 0 BDAERO Cc1nnc([C@@H](C[NH3+])c2ccccc2)[nH]1 ZINC000061609565 180039616 /nfs/dbraw/zinc/03/96/16/180039616.db2.gz BTNLGSJOVBNUNU-JTQLQIEISA-N 1 0 202.261 1.204 10 0 BDAERO Cc1nc([C@@H]([NH3+])Cc2ccccc2)no1 ZINC000036762239 180040343 /nfs/dbraw/zinc/04/03/43/180040343.db2.gz NYQXTCRCYNVWLL-JTQLQIEISA-N 1 0 203.245 1.621 10 0 BDAERO CC(C)(CO)[C@H]([NH3+])c1cnc2cc[nH]c2c1 ZINC000089221637 191020387 /nfs/dbraw/zinc/02/03/87/191020387.db2.gz OCLFGBXNHWWZNI-LLVKDONJSA-N 1 0 219.288 1.581 10 0 BDAERO Cc1nnc([C@H](C[NH3+])c2ccccc2)[nH]1 ZINC000061609567 180052923 /nfs/dbraw/zinc/05/29/23/180052923.db2.gz BTNLGSJOVBNUNU-SNVBAGLBSA-N 1 0 202.261 1.204 10 0 BDAERO CCN(c1cc(C[NH3+])ccc1C)S(C)(=O)=O ZINC000725255615 538052762 /nfs/dbraw/zinc/05/27/62/538052762.db2.gz GCDYAMVYHNUUMI-UHFFFAOYSA-N 1 0 242.344 1.240 10 0 BDAERO Cc1nc2c(s1)CCC[C@@H]2C[NH2+]C1COC1 ZINC000309729814 180073906 /nfs/dbraw/zinc/07/39/06/180073906.db2.gz ZKAWJQRPZUIKPA-SECBINFHSA-N 1 0 238.356 1.860 10 0 BDAERO Cc1ccsc1C[NH2+][C@@H]1CCNC1=O ZINC000306541737 490341812 /nfs/dbraw/zinc/34/18/12/490341812.db2.gz UDLXLZAHMOUYNB-MRVPVSSYSA-N 1 0 210.302 1.035 10 0 BDAERO Cc1nc2cc(CCOC(=O)CC[NH3+])ccc2[nH]1 ZINC000077417168 180091489 /nfs/dbraw/zinc/09/14/89/180091489.db2.gz CFNDVCQJHCCKHE-UHFFFAOYSA-N 1 0 247.298 1.306 10 0 BDAERO Cc1nc2cccnc2n1C[C@H]1CCC[NH2+]C1 ZINC000082656656 180106440 /nfs/dbraw/zinc/10/64/40/180106440.db2.gz QQUDULHBKNKUQZ-NSHDSACASA-N 1 0 230.315 1.739 10 0 BDAERO CC(C)CCn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257194 538062130 /nfs/dbraw/zinc/06/21/30/538062130.db2.gz INRBBIZYGVFAJF-UHFFFAOYSA-N 1 0 248.334 1.183 10 0 BDAERO Cc1ncc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])s1 ZINC000185417015 180133879 /nfs/dbraw/zinc/13/38/79/180133879.db2.gz RBRNWGKPALJAPL-IUCAKERBSA-N 1 0 239.344 1.451 10 0 BDAERO CC(C)[C@@H]([NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257627 538064796 /nfs/dbraw/zinc/06/47/96/538064796.db2.gz UBOQONHXJQMPRU-LLVKDONJSA-N 1 0 247.302 1.239 10 0 BDAERO Cc1nc[nH]c1CNC[C@@H](C)C[NH+]1CCCC1 ZINC000062079040 180121393 /nfs/dbraw/zinc/12/13/93/180121393.db2.gz HIZXECQYZSEXHG-LLVKDONJSA-N 1 0 236.363 1.540 10 0 BDAERO Cc1nc[nH]c1C[NH2+][C@H](C)c1cccnc1 ZINC000054794117 180121788 /nfs/dbraw/zinc/12/17/88/180121788.db2.gz ABGAYXPXELOHPP-SECBINFHSA-N 1 0 216.288 1.964 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CN3CCC2CC3)s1 ZINC000037797054 180158368 /nfs/dbraw/zinc/15/83/68/180158368.db2.gz WSWRCRPVNRINNS-LBPRGKRZSA-N 1 0 237.372 1.635 10 0 BDAERO Cc1ncc([C@@H]2[C@H]([NH3+])CCCN2C)s1 ZINC000076643709 180174470 /nfs/dbraw/zinc/17/44/70/180174470.db2.gz NJIMDEYKEKJOQF-SCZZXKLOSA-N 1 0 211.334 1.546 10 0 BDAERO Cc1ncc(C[NH2+]C2CCS(=O)CC2)s1 ZINC000042354195 180149743 /nfs/dbraw/zinc/14/97/43/180149743.db2.gz DIYFVFFITVCCPV-UHFFFAOYSA-N 1 0 244.385 1.452 10 0 BDAERO Cc1nccc(CN[C@@H](C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000038037592 180191895 /nfs/dbraw/zinc/19/18/95/180191895.db2.gz USYMWIPUKKRWSB-WCQYABFASA-N 1 0 248.374 1.605 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2CCCCC[C@H]2O)n1 ZINC000038037840 180192736 /nfs/dbraw/zinc/19/27/36/180192736.db2.gz GTKIHLJKYWJYBF-QWHCGFSZSA-N 1 0 235.331 1.568 10 0 BDAERO Cc1nccc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000054937462 180207662 /nfs/dbraw/zinc/20/76/62/180207662.db2.gz QFMJLYOLNHTIKO-NSHDSACASA-N 1 0 221.304 1.696 10 0 BDAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)C(N)=S ZINC000221891237 350224826 /nfs/dbraw/zinc/22/48/26/350224826.db2.gz COEKPUAQOCNJSE-BDAKNGLRSA-N 1 0 200.351 1.641 10 0 BDAERO Cc1nccn1CCN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000104159226 180254527 /nfs/dbraw/zinc/25/45/27/180254527.db2.gz AVSFVSXBAUYPKX-DGCLKSJQSA-N 1 0 236.363 1.393 10 0 BDAERO Clc1cnc2c(cnn2C2C[NH2+]C2)c1 ZINC000725258984 538077859 /nfs/dbraw/zinc/07/78/59/538077859.db2.gz KUVNDZVOFVQMTL-UHFFFAOYSA-N 1 0 208.652 1.229 10 0 BDAERO Cc1nccn1[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354889 180272592 /nfs/dbraw/zinc/27/25/92/180272592.db2.gz NAOAGDGGCWLYKS-BXKDBHETSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1nccnc1N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095071098 180274773 /nfs/dbraw/zinc/27/47/73/180274773.db2.gz GVWSAYRZZJCXCK-LLVKDONJSA-N 1 0 220.320 1.221 10 0 BDAERO C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC000725262037 538087786 /nfs/dbraw/zinc/08/77/86/538087786.db2.gz SJWXYVYEPBQNTO-UWVGGRQHSA-N 1 0 246.326 1.943 10 0 BDAERO Cc1ncn(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c1C ZINC000052593716 180287889 /nfs/dbraw/zinc/28/78/89/180287889.db2.gz WNRPJDANHOHDQU-KGLIPLIRSA-N 1 0 249.358 1.800 10 0 BDAERO C[C@H](CC(N)=[NH2+])n1cc(Br)cn1 ZINC000038054409 350300963 /nfs/dbraw/zinc/30/09/63/350300963.db2.gz QQNAYXGIQOPZCT-RXMQYKEDSA-N 1 0 231.097 1.533 10 0 BDAERO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282110855 180283711 /nfs/dbraw/zinc/28/37/11/180283711.db2.gz ADSMGNIBTQJJOB-LSJOCFKGSA-N 1 0 248.330 1.103 10 0 BDAERO Cc1ncn(-c2ncc(C[NH3+])cc2Cl)c1C ZINC000051928484 180285393 /nfs/dbraw/zinc/28/53/93/180285393.db2.gz GWJRGCNVEGZBKD-UHFFFAOYSA-N 1 0 236.706 1.996 10 0 BDAERO CC(C)[NH2+][C@]1(C(N)=O)CC[C@@H](C)C[C@@H]1C ZINC000222207020 350349705 /nfs/dbraw/zinc/34/97/05/350349705.db2.gz WGAIVROHOOKXPR-JFGNBEQYSA-N 1 0 212.337 1.665 10 0 BDAERO CC[C@@](O)(C[NH3+])C(F)(F)Br ZINC000225661557 350369363 /nfs/dbraw/zinc/36/93/63/350369363.db2.gz LNYAEEQWHKZKAE-SCSAIBSYSA-N 1 0 218.041 1.074 10 0 BDAERO Cc1ncsc1-c1nnc(CC[NH3+])o1 ZINC000050283766 180301940 /nfs/dbraw/zinc/30/19/40/180301940.db2.gz KWODBFBOQFMWTE-UHFFFAOYSA-N 1 0 210.262 1.003 10 0 BDAERO Cc1ncsc1CN(C)c1ccnc(C[NH3+])c1 ZINC000104435895 180315543 /nfs/dbraw/zinc/31/55/43/180315543.db2.gz RTVMOVHMNLKGQK-UHFFFAOYSA-N 1 0 248.355 1.942 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000050395372 180326963 /nfs/dbraw/zinc/32/69/63/180326963.db2.gz VMCFTUGGECOHPR-RKDXNWHRSA-N 1 0 239.344 1.381 10 0 BDAERO Cc1nn(C)c(OCc2ccccc2)c1C(N)=[NH2+] ZINC000104311067 180360551 /nfs/dbraw/zinc/36/05/51/180360551.db2.gz HGZNPGJXBUXEPH-UHFFFAOYSA-N 1 0 244.298 1.592 10 0 BDAERO Cc1nn(C)c(N(C)[C@@H]2CCSC2)c1C[NH3+] ZINC000037175481 180353517 /nfs/dbraw/zinc/35/35/17/180353517.db2.gz FUDNJLWTWVWUGP-SECBINFHSA-N 1 0 240.376 1.129 10 0 BDAERO Cc1nn(C)c(N(CC2CC2)C(C)C)c1C[NH3+] ZINC000042589026 180353678 /nfs/dbraw/zinc/35/36/78/180353678.db2.gz AQRRVNJGUQHOCN-UHFFFAOYSA-N 1 0 236.363 1.812 10 0 BDAERO Cc1nn(C)c(N2CCCC2(C)C)c1CC[NH3+] ZINC000104260051 180355552 /nfs/dbraw/zinc/35/55/52/180355552.db2.gz IGIJDJPSIWZYNP-UHFFFAOYSA-N 1 0 236.363 1.609 10 0 BDAERO COc1ccc([C@H](O)[C@H]([NH3+])C(C)C)cc1 ZINC000032012273 350410813 /nfs/dbraw/zinc/41/08/13/350410813.db2.gz NLRDJZPELZJIJK-NEPJUHHUSA-N 1 0 209.289 1.712 10 0 BDAERO Cc1nn(C)c(N2CC[C@H](C)C2)c1C[NH3+] ZINC000040719211 180356964 /nfs/dbraw/zinc/35/69/64/180356964.db2.gz MSGRNVJGFFRFGX-QMMMGPOBSA-N 1 0 208.309 1.033 10 0 BDAERO CC(C)(C)NC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000725264847 538092060 /nfs/dbraw/zinc/09/20/60/538092060.db2.gz KCMZXHYGDTZKPY-UHFFFAOYSA-N 1 0 247.289 1.035 10 0 BDAERO CC(C)CNC(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000725264631 538092234 /nfs/dbraw/zinc/09/22/34/538092234.db2.gz YWPQTPCJDOKCPA-WCQYABFASA-N 1 0 239.363 1.616 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2ccnnc2)CC1 ZINC000616591948 350430162 /nfs/dbraw/zinc/43/01/62/350430162.db2.gz ATAKYTXIYMMYOF-LBPRGKRZSA-N 1 0 221.304 1.648 10 0 BDAERO c1ccc2c(c1)ccnc2[C@@H]1C[NH2+]CCOC1 ZINC000616591965 350431222 /nfs/dbraw/zinc/43/12/22/350431222.db2.gz BENDGTVTTYWRHO-GFCCVEGCSA-N 1 0 228.295 1.938 10 0 BDAERO Cc1nn(C)c(N[C@H](C)C[NH+]2CCCC2)c1N ZINC000042598671 180360042 /nfs/dbraw/zinc/36/00/42/180360042.db2.gz FVDRZBDGCFITMJ-SECBINFHSA-N 1 0 237.351 1.207 10 0 BDAERO Cc1nn(C)c(Oc2cccnc2)c1C[NH3+] ZINC000034962989 180361513 /nfs/dbraw/zinc/36/15/13/180361513.db2.gz NROFFACEKAFGOA-UHFFFAOYSA-N 1 0 218.260 1.375 10 0 BDAERO CCOC1CC([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000162854389 350446212 /nfs/dbraw/zinc/44/62/12/350446212.db2.gz IFNLOUDYVIVXAI-WTIISPKJSA-N 1 0 227.348 1.695 10 0 BDAERO CC(=O)Nc1ccccc1[C@H]1CC[NH2+]CCO1 ZINC000616592427 350459550 /nfs/dbraw/zinc/45/95/50/350459550.db2.gz AEGDSBWOTIYNCE-CYBMUJFWSA-N 1 0 234.299 1.696 10 0 BDAERO Cc1nn(Cc2cc(C[NH3+])no2)c(C)c1C ZINC000052591468 180391491 /nfs/dbraw/zinc/39/14/91/180391491.db2.gz NAGRMXDANKOCOL-UHFFFAOYSA-N 1 0 220.276 1.303 10 0 BDAERO Cc1nn(CCC(N)=[NH2+])c(C)c1Br ZINC000050593422 180386233 /nfs/dbraw/zinc/38/62/33/180386233.db2.gz VMSOHTMUCPWGSG-UHFFFAOYSA-N 1 0 245.124 1.589 10 0 BDAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CSC1(C)C ZINC000393857169 259415197 /nfs/dbraw/zinc/41/51/97/259415197.db2.gz VRGMOVKIZZLYNG-MXWKQRLJSA-N 1 0 244.404 1.237 10 0 BDAERO Cc1nnc(C(C)(C)[NH3+])n1-c1ccccc1 ZINC000042039659 180399911 /nfs/dbraw/zinc/39/99/11/180399911.db2.gz DTXICZOKWWVGMZ-UHFFFAOYSA-N 1 0 216.288 1.770 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H](C)C(C)C)C1 ZINC000252630368 538095898 /nfs/dbraw/zinc/09/58/98/538095898.db2.gz ABKOXYYDZVWPGY-NEPJUHHUSA-N 1 0 214.353 1.341 10 0 BDAERO OCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)o1 ZINC000230664386 350606122 /nfs/dbraw/zinc/60/61/22/350606122.db2.gz RISCEIWMRBJBCZ-ZWNOBZJWSA-N 1 0 239.315 1.413 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2cccc(CCO)c2)CC1 ZINC000616595236 350606520 /nfs/dbraw/zinc/60/65/20/350606520.db2.gz VAICKQBCXCWOFX-CQSZACIVSA-N 1 0 235.327 1.615 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@@H](CO)[C@H]1COC(C)(C)O1 ZINC000725266876 538097542 /nfs/dbraw/zinc/09/75/42/538097542.db2.gz KYQRZQUNARWBGI-SDDRHHMPSA-N 1 0 245.363 1.525 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2ccncn2)CC1 ZINC000616595590 350609314 /nfs/dbraw/zinc/60/93/14/350609314.db2.gz WYTOPWZEDDJAIT-NSHDSACASA-N 1 0 207.277 1.260 10 0 BDAERO CC(C)N(C(=O)O[C@H]1CC[NH2+]C1)C(C)C ZINC000231561711 350630392 /nfs/dbraw/zinc/63/03/92/350630392.db2.gz JNEUNEBEXMKTAT-JTQLQIEISA-N 1 0 214.309 1.604 10 0 BDAERO Nc1cccc([C@H]2C[N@H+](CCO)CCCO2)c1 ZINC000616597873 350653095 /nfs/dbraw/zinc/65/30/95/350653095.db2.gz GXXVRGABXPLLKU-CYBMUJFWSA-N 1 0 236.315 1.025 10 0 BDAERO CC(=O)Nc1cccc([C@H]2C[NH2+]CCOC2)c1 ZINC000616597781 350653691 /nfs/dbraw/zinc/65/36/91/350653691.db2.gz KYJQBMOFQVTERJ-LBPRGKRZSA-N 1 0 234.299 1.348 10 0 BDAERO C[N@@H+]1CCOCC[C@H]1c1ccccc1N ZINC000616598224 350657290 /nfs/dbraw/zinc/65/72/90/350657290.db2.gz NDGLOHTYCPTVET-LBPRGKRZSA-N 1 0 206.289 1.662 10 0 BDAERO CNc1cccc([C@H]2CCOCCN2CC[NH3+])c1 ZINC000616598177 350657343 /nfs/dbraw/zinc/65/73/43/350657343.db2.gz HRUXQCPZOYDEOL-CQSZACIVSA-N 1 0 249.358 1.450 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2nc(C)ccc2O)C1 ZINC000112716777 350659048 /nfs/dbraw/zinc/65/90/48/350659048.db2.gz NCCUKKDYXPFVNR-GFCCVEGCSA-N 1 0 249.358 1.670 10 0 BDAERO CCS(=O)(=O)c1ccc(NCCC[NH3+])cc1 ZINC000035348211 358457558 /nfs/dbraw/zinc/45/75/58/358457558.db2.gz JJHAKCMJVRMVEE-UHFFFAOYSA-N 1 0 242.344 1.241 10 0 BDAERO C[C@H](c1ccc(O)cc1F)N1CC[NH2+]CC1 ZINC000235213443 350713523 /nfs/dbraw/zinc/71/35/23/350713523.db2.gz AIBKPCMMAZETOI-SECBINFHSA-N 1 0 224.279 1.498 10 0 BDAERO CC(C)C[NH2+]CC[C@@H](CO)[C@H]1COC(C)(C)O1 ZINC000725267804 538098845 /nfs/dbraw/zinc/09/88/45/538098845.db2.gz ZLHHXBBPJWMXJC-NWDGAFQWSA-N 1 0 245.363 1.382 10 0 BDAERO c1cc2ccncc2c([C@H]2C[NH2+]CCOC2)c1 ZINC000616598713 350688520 /nfs/dbraw/zinc/68/85/20/350688520.db2.gz QARNCTZKFLGYOY-LBPRGKRZSA-N 1 0 228.295 1.938 10 0 BDAERO COC(=O)c1ccc([C@@H]2CCCC[NH2+]2)cn1 ZINC000309512744 350693880 /nfs/dbraw/zinc/69/38/80/350693880.db2.gz VKMCLIAOBNJEAO-JTQLQIEISA-N 1 0 220.272 1.683 10 0 BDAERO CC(C)(C)[C@H]1CCOCC[N@@H+]1CCO ZINC000616599780 350758382 /nfs/dbraw/zinc/75/83/82/350758382.db2.gz WNWDPPZQDRSCEA-SNVBAGLBSA-N 1 0 201.310 1.116 10 0 BDAERO [NH3+][C@@H]1C[C@@H]1c1occc1Br ZINC000236305879 350733238 /nfs/dbraw/zinc/73/32/38/350733238.db2.gz XRNFERKGTFFQOC-UJURSFKZSA-N 1 0 202.051 1.857 10 0 BDAERO [NH3+][C@@H](CC1OCCO1)c1ccc(F)c(F)c1 ZINC000236303278 350733295 /nfs/dbraw/zinc/73/32/95/350733295.db2.gz XKBAMOJOEYGUOG-JTQLQIEISA-N 1 0 229.226 1.728 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2ncnc3[nH]ccc32)C1 ZINC000339132786 350736135 /nfs/dbraw/zinc/73/61/35/350736135.db2.gz KWTUXAXWMFZMFB-SNVBAGLBSA-N 1 0 245.330 1.854 10 0 BDAERO CNc1ccccc1[C@@H]1CCOCCN1CC[NH3+] ZINC000616599259 350740143 /nfs/dbraw/zinc/74/01/43/350740143.db2.gz YFMNAUCKGRCJQQ-AWEZNQCLSA-N 1 0 249.358 1.450 10 0 BDAERO CN1CCOC[C@@H]1c1ccccc1CCO ZINC000616600289 350779591 /nfs/dbraw/zinc/77/95/91/350779591.db2.gz DMTMEKZXKDEFGB-CYBMUJFWSA-N 1 0 221.300 1.225 10 0 BDAERO NC(=O)c1ccccc1[C@@H]1CCC[NH2+]CC1 ZINC000616600869 350780485 /nfs/dbraw/zinc/78/04/85/350780485.db2.gz FBVIHWYVVDBITI-SNVBAGLBSA-N 1 0 218.300 1.643 10 0 BDAERO OCc1ccc([C@H]2COCCC[NH2+]2)cc1 ZINC000616601204 350781305 /nfs/dbraw/zinc/78/13/05/350781305.db2.gz ABCKHKMVTAISNL-GFCCVEGCSA-N 1 0 207.273 1.230 10 0 BDAERO CC[C@](C)(C[NH3+])N1C[C@@H](C)O[C@H](C)C1 ZINC000034679262 350783781 /nfs/dbraw/zinc/78/37/81/350783781.db2.gz ZTQLZCGGCMFWER-GMTAPVOTSA-N 1 0 200.326 1.223 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2ccncc2)C1 ZINC000616603095 350789237 /nfs/dbraw/zinc/78/92/37/350789237.db2.gz AUGTXRDRIKUIFG-ZDUSSCGKSA-N 1 0 219.332 1.610 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2cnoc2)C1 ZINC000616603292 350789288 /nfs/dbraw/zinc/78/92/88/350789288.db2.gz FQPDHZNMSWVBNJ-JTQLQIEISA-N 1 0 210.277 1.236 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2cncnc2)C1 ZINC000616603237 350789294 /nfs/dbraw/zinc/78/92/94/350789294.db2.gz DPXKXFOMNIHVKC-NSHDSACASA-N 1 0 221.304 1.038 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2nn[nH]n2)CC1 ZINC000616602236 350790963 /nfs/dbraw/zinc/79/09/63/350790963.db2.gz VLGMJRNXMHNUDL-SECBINFHSA-N 1 0 223.324 1.568 10 0 BDAERO CCOC(=O)c1cccc([C@H]2COCCC[NH2+]2)c1 ZINC000616604208 350792842 /nfs/dbraw/zinc/79/28/42/350792842.db2.gz RXKCCVOEDDGTRC-CYBMUJFWSA-N 1 0 249.310 1.914 10 0 BDAERO CCOC(=O)N1CCCC[C@@H](CC[NH3+])C1 ZINC000616604990 350794233 /nfs/dbraw/zinc/79/42/33/350794233.db2.gz IXECJXIIHMZTRO-JTQLQIEISA-N 1 0 214.309 1.594 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1ccccc1CCO ZINC000616603824 350795642 /nfs/dbraw/zinc/79/56/42/350795642.db2.gz QUPCRMLHUGFBBB-CQSZACIVSA-N 1 0 234.343 1.188 10 0 BDAERO [NH3+]CCN1CCCCC[C@@H]1c1ccon1 ZINC000616606052 350796372 /nfs/dbraw/zinc/79/63/72/350796372.db2.gz WXLIDOABPCWYAW-LLVKDONJSA-N 1 0 209.293 1.550 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1c1ccccc1C(N)=O ZINC000616606352 350797260 /nfs/dbraw/zinc/79/72/60/350797260.db2.gz CSOGSAVRBRMOGH-GFCCVEGCSA-N 1 0 218.300 1.942 10 0 BDAERO Nc1ccccc1[C@H]1CCC[N@@H+]1CCO ZINC000616608229 350803792 /nfs/dbraw/zinc/80/37/92/350803792.db2.gz NJZAGGFBYMOWIF-GFCCVEGCSA-N 1 0 206.289 1.398 10 0 BDAERO CC(C)N1CC[C@H](NC2=[NH+]CCS2)C1 ZINC000306678940 350833205 /nfs/dbraw/zinc/83/32/05/350833205.db2.gz ARHPBBCPNXETAX-VIFPVBQESA-N 1 0 213.350 1.162 10 0 BDAERO [NH3+]C[C@H](c1ccc(Cl)s1)N1CC(O)C1 ZINC000306679783 350834100 /nfs/dbraw/zinc/83/41/00/350834100.db2.gz ISNNABYXUBSEEL-SSDOTTSWSA-N 1 0 232.736 1.078 10 0 BDAERO Cc1cc(N2CC[C@](C)(C[NH3+])C2)sn1 ZINC000306681522 350838005 /nfs/dbraw/zinc/83/80/05/350838005.db2.gz OEKRCVIXYFSMSI-SNVBAGLBSA-N 1 0 211.334 1.627 10 0 BDAERO CNc1ccccc1[C@@H]1CCN(CC[NH3+])C1 ZINC000616614868 350841398 /nfs/dbraw/zinc/84/13/98/350841398.db2.gz YRBLUJROQWBJAS-LLVKDONJSA-N 1 0 219.332 1.476 10 0 BDAERO Cc1nn(C)c(NCCC[NH3+])c1Br ZINC000306699467 350848813 /nfs/dbraw/zinc/84/88/13/350848813.db2.gz DMAMWXNUXQFIRN-UHFFFAOYSA-N 1 0 247.140 1.252 10 0 BDAERO CNc1ccc([C@@H]2CC[N@H+](CCO)C2)cc1 ZINC000616614084 350827860 /nfs/dbraw/zinc/82/78/60/350827860.db2.gz BXVWBVKFTNWYFP-GFCCVEGCSA-N 1 0 220.316 1.510 10 0 BDAERO CCn1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)cn1 ZINC000226029908 350901234 /nfs/dbraw/zinc/90/12/34/350901234.db2.gz ZVXQVUUIGPAXGO-NEPJUHHUSA-N 1 0 223.320 1.296 10 0 BDAERO CCNC(=[NH2+])N1CCSCC[C@@H]1C ZINC000306732709 350902554 /nfs/dbraw/zinc/90/25/54/350902554.db2.gz MNGFRJPEYARPIJ-QMMMGPOBSA-N 1 0 201.339 1.358 10 0 BDAERO C[C@H]([NH3+])[C@H](N1CCC[C@H]1C)C(F)(F)F ZINC000252204903 350910541 /nfs/dbraw/zinc/91/05/41/350910541.db2.gz UXARALZQVCQLPP-CSMHCCOUSA-N 1 0 210.243 1.749 10 0 BDAERO CNc1ccc([C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616617643 350871461 /nfs/dbraw/zinc/87/14/61/350871461.db2.gz AEAGTUKRHQWXQB-ZDUSSCGKSA-N 1 0 234.343 1.900 10 0 BDAERO CN(CCO)CC[N@H+](C)C[C@H]1CC=CCC1 ZINC000623091578 350875908 /nfs/dbraw/zinc/87/59/08/350875908.db2.gz IUPAQNZFXOXSNB-ZDUSSCGKSA-N 1 0 226.364 1.199 10 0 BDAERO CN(C)[C@@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)C1 ZINC000250338411 350878991 /nfs/dbraw/zinc/87/89/91/350878991.db2.gz BAOUEJHUIZWMRK-WDEREUQCSA-N 1 0 210.321 1.134 10 0 BDAERO NC1=[NH+][C@@H](c2ccc(Cl)o2)COC1 ZINC000306719747 350880272 /nfs/dbraw/zinc/88/02/72/350880272.db2.gz LRZXXXRZOMMPJO-RXMQYKEDSA-N 1 0 200.625 1.362 10 0 BDAERO CNc1cccc(C2CC[NH+](CCO)CC2)c1 ZINC000616620339 350938498 /nfs/dbraw/zinc/93/84/98/350938498.db2.gz WLDSWYFEQOEDRI-UHFFFAOYSA-N 1 0 234.343 1.900 10 0 BDAERO CC(C)NC(=[NH2+])N1CCCSCC1 ZINC000052038798 350890971 /nfs/dbraw/zinc/89/09/71/350890971.db2.gz AYHKDSZTYRNYPV-UHFFFAOYSA-N 1 0 201.339 1.358 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616620627 350944352 /nfs/dbraw/zinc/94/43/52/350944352.db2.gz MEKGEGTXJIVBIT-CYBMUJFWSA-N 1 0 248.326 1.523 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2cccnc2)C1 ZINC000616620669 350945272 /nfs/dbraw/zinc/94/52/72/350945272.db2.gz JYVZTKWMEBJKIA-LBPRGKRZSA-N 1 0 205.305 1.220 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1[S@@](=O)C1CCCC1 ZINC000222768809 351016934 /nfs/dbraw/zinc/01/69/34/351016934.db2.gz HUXMMPIRRUDLCA-PXWWUCIGSA-N 1 0 215.362 1.805 10 0 BDAERO C[C@H](C(N)=[NH2+])N1CCS[C@@H](C)CC1 ZINC000306776778 351017610 /nfs/dbraw/zinc/01/76/10/351017610.db2.gz ZVBNPBAYTFWRKL-JGVFFNPUSA-N 1 0 201.339 1.138 10 0 BDAERO C[C@@H](C(N)=[NH2+])N1CCS[C@@H](C)CC1 ZINC000306776780 351018008 /nfs/dbraw/zinc/01/80/08/351018008.db2.gz ZVBNPBAYTFWRKL-YUMQZZPRSA-N 1 0 201.339 1.138 10 0 BDAERO FC(F)(F)C[C@@H]1CCCN1C1C[NH2+]C1 ZINC000306794349 351043476 /nfs/dbraw/zinc/04/34/76/351043476.db2.gz HPIYQJISNJIYAY-ZETCQYMHSA-N 1 0 208.227 1.375 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2ccncc2)C1 ZINC000616621638 351043603 /nfs/dbraw/zinc/04/36/03/351043603.db2.gz UJIZUNLJCHXASA-GFCCVEGCSA-N 1 0 205.305 1.220 10 0 BDAERO O=C(CC1=CCCC1)[C@H]1CSCC[NH2+]1 ZINC000306795680 351043642 /nfs/dbraw/zinc/04/36/42/351043642.db2.gz IROCELCDYLRTID-SNVBAGLBSA-N 1 0 211.330 1.761 10 0 BDAERO Cc1oncc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000054158787 180553509 /nfs/dbraw/zinc/55/35/09/180553509.db2.gz XPXPFQMLXYMXOF-YFKPBYRVSA-N 1 0 208.221 1.095 10 0 BDAERO CCN1CC(NC2=[NH+]C(C)(C)CS2)C1 ZINC000306795970 351048237 /nfs/dbraw/zinc/04/82/37/351048237.db2.gz HETKRDRHDYCHIS-UHFFFAOYSA-N 1 0 213.350 1.162 10 0 BDAERO C[C@@](O)([C@@H]1CCC[NH2+]1)C(F)(F)Br ZINC000306772882 351010408 /nfs/dbraw/zinc/01/04/08/351010408.db2.gz HURLVIICUYRDJW-NTSWFWBYSA-N 1 0 244.079 1.477 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2ccc(CO)cc2)C1 ZINC000616629883 351101514 /nfs/dbraw/zinc/10/15/14/351101514.db2.gz VTRJQLUZECIHGY-HNNXBMFYSA-N 1 0 248.370 1.707 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cnoc2)C1 ZINC000616632080 351110188 /nfs/dbraw/zinc/11/01/88/351110188.db2.gz LEZFQQIJJZVEKH-SNVBAGLBSA-N 1 0 209.293 1.419 10 0 BDAERO COC(=O)N1CC[NH2+][C@H](C(C)(C)C)C1 ZINC000616632487 351112766 /nfs/dbraw/zinc/11/27/66/351112766.db2.gz PQBZDKNYYHXXKI-QMMMGPOBSA-N 1 0 200.282 1.073 10 0 BDAERO CC[N@@H+]1CCN[C@H](c2ccc3nnccc3c2)C1 ZINC000616633057 351114229 /nfs/dbraw/zinc/11/42/29/351114229.db2.gz YVFBWHUVOSCFTH-AWEZNQCLSA-N 1 0 242.326 1.596 10 0 BDAERO N[C@H](CC[NH3+])c1cccc(Br)n1 ZINC000306821021 351127038 /nfs/dbraw/zinc/12/70/38/351127038.db2.gz NRHZPIXTLPCJNW-ZCFIWIBFSA-N 1 0 230.109 1.193 10 0 BDAERO COc1nc(C(=O)[C@H]2CC[C@@H]([NH3+])C2)cs1 ZINC000306812209 351081582 /nfs/dbraw/zinc/08/15/82/351081582.db2.gz YPYIDPCQICNTOU-NKWVEPMBSA-N 1 0 226.301 1.462 10 0 BDAERO OCC[N@@H+]1CCCCC[C@@H]1c1cccnn1 ZINC000616625019 351092632 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/nfs/dbraw/zinc/76/41/52/351764152.db2.gz UFDJWNGWUYNAJH-MWLCHTKSSA-N 1 0 212.337 1.665 10 0 BDAERO CC[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)C(C)C ZINC000637952496 351827382 /nfs/dbraw/zinc/82/73/82/351827382.db2.gz QPOOBFHYDABHPC-QWRGUYRKSA-N 1 0 210.321 1.585 10 0 BDAERO CC[C@@H]1[C@H](C2CC2)[NH2+]C[C@H](C)[S@]1=O ZINC000307274727 351828863 /nfs/dbraw/zinc/82/88/63/351828863.db2.gz ODLZWWXHCKYGIL-ZLGIUQBVSA-N 1 0 201.335 1.284 10 0 BDAERO CC[C@@H]1[C@H](C2CC2)[NH2+]C[C@@H](C)[S@@]1=O ZINC000307274729 351829261 /nfs/dbraw/zinc/82/92/61/351829261.db2.gz ODLZWWXHCKYGIL-PZWLIILKSA-N 1 0 201.335 1.284 10 0 BDAERO Cn1cc(C[C@@H]2Cc3ccccc3[C@H]2[NH3+])cn1 ZINC000050540770 180653311 /nfs/dbraw/zinc/65/33/11/180653311.db2.gz KXFXBAVPODNXDF-OCCSQVGLSA-N 1 0 227.311 1.835 10 0 BDAERO Cn1cc(C[C@@H]([NH3+])c2cccnc2)cn1 ZINC000050542434 180653542 /nfs/dbraw/zinc/65/35/42/180653542.db2.gz PDVCQZPLVQVVEC-LLVKDONJSA-N 1 0 202.261 1.058 10 0 BDAERO [NH3+]C[C@@]1(COCc2ccccc2)CCC[C@@H]1O ZINC000307281830 351844231 /nfs/dbraw/zinc/84/42/31/351844231.db2.gz HQUDTROJVXMQDZ-UONOGXRCSA-N 1 0 235.327 1.693 10 0 BDAERO CS[C@@H]1CCC[N@@H+]([C@@H](C)[C@@H](C)N)CC1 ZINC000307317674 351991656 /nfs/dbraw/zinc/99/16/56/351991656.db2.gz LBAVSSASFUYYFZ-OUAUKWLOSA-N 1 0 216.394 1.940 10 0 BDAERO C[C@@H]([NH3+])[C@@](C)(F)c1c(Cl)cnn1C ZINC000307317883 351992229 /nfs/dbraw/zinc/99/22/29/351992229.db2.gz PLUXGOQZCARNMI-SVGQVSJJSA-N 1 0 205.664 1.605 10 0 BDAERO CCN1CC[C@@](CO)([NH2+]Cc2ccccc2)C1 ZINC000307335704 352052718 /nfs/dbraw/zinc/05/27/18/352052718.db2.gz GWNDZVMVSBHKLE-CQSZACIVSA-N 1 0 234.343 1.233 10 0 BDAERO C[C@H]1CC[NH2+][C@]2(COCC2(C)C)S1 ZINC000307335460 352054955 /nfs/dbraw/zinc/05/49/55/352054955.db2.gz NCUCZHJKWJVXEP-WCBMZHEXSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC000638209603 352072154 /nfs/dbraw/zinc/07/21/54/352072154.db2.gz YKVRYQGPLVMMQI-SDDRHHMPSA-N 1 0 236.359 1.823 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)C1CCC=CCC1 ZINC000638222517 352082297 /nfs/dbraw/zinc/08/22/97/352082297.db2.gz VDCVWGHSSBDDMK-SNVBAGLBSA-N 1 0 210.321 1.457 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC12CC2 ZINC000638231950 352084363 /nfs/dbraw/zinc/08/43/63/352084363.db2.gz BGZJZVHTZHDBFZ-VWYCJHECSA-N 1 0 222.332 1.515 10 0 BDAERO Cc1cocc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000638234484 352085922 /nfs/dbraw/zinc/08/59/22/352085922.db2.gz JTJOSEQZKDLTBT-SCZZXKLOSA-N 1 0 208.261 1.150 10 0 BDAERO C[C@H]1CN(C(=O)c2cscc2Cl)C[C@@H]1[NH3+] ZINC000638334066 352152167 /nfs/dbraw/zinc/15/21/67/352152167.db2.gz WCXOBAOHQMBOIK-RCOVLWMOSA-N 1 0 244.747 1.821 10 0 BDAERO CCC[C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)OCC ZINC000638458667 352269857 /nfs/dbraw/zinc/26/98/57/352269857.db2.gz UGTZZOWMGLXOHM-VXGBXAGGSA-N 1 0 244.379 1.681 10 0 BDAERO [NH3+]CCC(=O)Nc1cncc(Br)c1 ZINC000300936069 363168358 /nfs/dbraw/zinc/16/83/58/363168358.db2.gz MTUQLWHEIMVCFB-UHFFFAOYSA-N 1 0 244.092 1.131 10 0 BDAERO COCC[NH2+][C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725270604 538102654 /nfs/dbraw/zinc/10/26/54/538102654.db2.gz BSPNRIAYQVDIOG-YFKTTZPYSA-N 1 0 211.305 1.180 10 0 BDAERO CC(C)[C@H]1C[NH2+]CCN1C(=O)CC(F)(F)F ZINC000638485817 352295232 /nfs/dbraw/zinc/29/52/32/352295232.db2.gz YHGBFPRIUPVMLG-MRVPVSSYSA-N 1 0 238.253 1.395 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1CC=CC1 ZINC000638491327 352302081 /nfs/dbraw/zinc/30/20/81/352302081.db2.gz HHTJZEYXIMWPRB-MWLCHTKSSA-N 1 0 210.321 1.442 10 0 BDAERO [NH3+]Cc1nnc([C@@H]2CCC(F)(F)C2)[nH]1 ZINC000300945794 363175795 /nfs/dbraw/zinc/17/57/95/363175795.db2.gz SUZTWNHYJZDCHQ-RXMQYKEDSA-N 1 0 202.208 1.166 10 0 BDAERO C[C@H]1CN(C(=O)CC2CC2)CC[C@H]1C[NH3+] ZINC000725270614 538102853 /nfs/dbraw/zinc/10/28/53/538102853.db2.gz BUEXIQRNOISFBN-ONGXEEELSA-N 1 0 210.321 1.230 10 0 BDAERO CCCC(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2 ZINC000725271611 538103300 /nfs/dbraw/zinc/10/33/00/538103300.db2.gz IFCZLAQHPVJYAJ-NSHDSACASA-N 1 0 240.347 1.156 10 0 BDAERO CC(C)CNC(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000725270971 538103097 /nfs/dbraw/zinc/10/30/97/538103097.db2.gz HGHRAHJHLQUIIV-WDEREUQCSA-N 1 0 227.352 1.187 10 0 BDAERO COCCNC(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725271434 538103153 /nfs/dbraw/zinc/10/31/53/538103153.db2.gz MVYCHIWJXXBZTG-LLVKDONJSA-N 1 0 249.314 1.401 10 0 BDAERO CCCC(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725271489 538103356 /nfs/dbraw/zinc/10/33/56/538103356.db2.gz GPUJFWXGAWWYQK-NSHDSACASA-N 1 0 240.347 1.156 10 0 BDAERO Cc1ncccc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000638598711 352431415 /nfs/dbraw/zinc/43/14/15/352431415.db2.gz CMTIJXZPJIOWIY-AAEUAGOBSA-N 1 0 247.342 1.394 10 0 BDAERO CCCN(CC(C)C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638598959 352431984 /nfs/dbraw/zinc/43/19/84/352431984.db2.gz MYWALGRLQYOVEG-WDEREUQCSA-N 1 0 230.327 1.581 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC[C@H]1CC=CCC1 ZINC000638602812 352438768 /nfs/dbraw/zinc/43/87/68/352438768.db2.gz ZRKGOKFLHQEVEI-MNOVXSKESA-N 1 0 210.321 1.457 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000638628102 352467534 /nfs/dbraw/zinc/46/75/34/352467534.db2.gz JUYURWZEGIHROX-LNSPPBFMSA-N 1 0 242.363 1.288 10 0 BDAERO C[C@@H]1C[C@H](C)[C@@H]2[C@H](C1)[NH2+]CC[S@]2=O ZINC000252170187 363188501 /nfs/dbraw/zinc/18/85/01/363188501.db2.gz RAVMZZIGJWTCJX-RWOMURPVSA-N 1 0 201.335 1.142 10 0 BDAERO C[C@@H]1C[NH2+][C@H](C2CCC2)[C@H](C)[S@@](=O)C1 ZINC000307371861 352470589 /nfs/dbraw/zinc/47/05/89/352470589.db2.gz QGFMLHJSNXRTPL-DKZXUEBISA-N 1 0 215.362 1.532 10 0 BDAERO COC(=O)[C@@H]1CC[C@@H]([NH3+])C[C@H]1C(F)(F)F ZINC000725271674 538103586 /nfs/dbraw/zinc/10/35/86/538103586.db2.gz RAKRWUVESFDHTM-FSDSQADBSA-N 1 0 225.210 1.465 10 0 BDAERO C[C@H]1SCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000307387742 352547475 /nfs/dbraw/zinc/54/74/75/352547475.db2.gz DZVJRZMSSISVJV-UTLUCORTSA-N 1 0 201.335 1.649 10 0 BDAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(N)=S ZINC000307388877 352548037 /nfs/dbraw/zinc/54/80/37/352548037.db2.gz PDSBVGQMLHVJFN-JQWIXIFHSA-N 1 0 249.383 1.340 10 0 BDAERO CCCCCCOC[C@H](O)C[NH2+]CCOCC ZINC000037892849 168671747 /nfs/dbraw/zinc/67/17/47/168671747.db2.gz MZIUGZKIFURRJQ-CYBMUJFWSA-N 1 0 247.379 1.570 10 0 BDAERO Cc1nccc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389734550 352552464 /nfs/dbraw/zinc/55/24/64/352552464.db2.gz SUKGDDCRZXDPJI-WPRPVWTQSA-N 1 0 206.293 1.195 10 0 BDAERO O=C1[C@@H]2CC[NH2+]C[C@@H]2CN1Cc1ccccc1 ZINC000307411544 352589563 /nfs/dbraw/zinc/58/95/63/352589563.db2.gz HQBNUKOEZYAZBH-CHWSQXEVSA-N 1 0 230.311 1.255 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2cnnc(Cl)c2)C1 ZINC000229124351 352591632 /nfs/dbraw/zinc/59/16/32/352591632.db2.gz FSDXVYKYBYKJAV-QMMMGPOBSA-N 1 0 226.711 1.636 10 0 BDAERO O=C1[C@@H]2CCC[NH2+][C@@H]2CN1Cc1ccccc1 ZINC000232285130 352596314 /nfs/dbraw/zinc/59/63/14/352596314.db2.gz ZLWCCFOGFMYOTP-CHWSQXEVSA-N 1 0 230.311 1.397 10 0 BDAERO C[C@H](C(N)=S)[NH+]1CCC(F)(F)CC1 ZINC000404866631 352602094 /nfs/dbraw/zinc/60/20/94/352602094.db2.gz RZANRJSQTOTPLA-ZCFIWIBFSA-N 1 0 208.277 1.392 10 0 BDAERO C[C@@H]1CCN([C@@H]2CC[NH2+]C2)CCS1 ZINC000307449066 352603083 /nfs/dbraw/zinc/60/30/83/352603083.db2.gz ZVGIYECHXFTGMI-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)NCc2ccccc2)C1 ZINC000232307136 352611828 /nfs/dbraw/zinc/61/18/28/352611828.db2.gz HXDLVAOQVPOCNI-DGCLKSJQSA-N 1 0 247.342 1.565 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN(C(=O)NCc2ccccc2)C1 ZINC000232307137 352611922 /nfs/dbraw/zinc/61/19/22/352611922.db2.gz HXDLVAOQVPOCNI-WCQYABFASA-N 1 0 247.342 1.565 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](Cn2cc(Br)cn2)C1 ZINC000307535688 352641055 /nfs/dbraw/zinc/64/10/55/352641055.db2.gz OYGWKCMLOTUGKT-VXNVDRBHSA-N 1 0 244.136 1.773 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1[NH2+]C[C@H](C)[S@](=O)[C@@H]1C ZINC000307559640 352649201 /nfs/dbraw/zinc/64/92/01/352649201.db2.gz GIJUSUXFIXHTAN-NTZOKKSWSA-N 1 0 201.335 1.140 10 0 BDAERO C[NH2+]C[C@H](COC)N(C)Cc1ccccc1 ZINC000232396948 352649385 /nfs/dbraw/zinc/64/93/85/352649385.db2.gz HXNLLNYRTQDHAT-CYBMUJFWSA-N 1 0 222.332 1.353 10 0 BDAERO Cc1sc(CC[NH3+])nc1C(=O)NC(C)C ZINC000725273308 538104732 /nfs/dbraw/zinc/10/47/32/538104732.db2.gz UIZCAFPBTJZVTC-UHFFFAOYSA-N 1 0 227.333 1.091 10 0 BDAERO C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCCO2)SC1 ZINC000307530717 352635897 /nfs/dbraw/zinc/63/58/97/352635897.db2.gz VZNWTPLUJLYZMH-KXUCPTDWSA-N 1 0 201.335 1.854 10 0 BDAERO Cc1cc(O)cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000638756671 352687262 /nfs/dbraw/zinc/68/72/62/352687262.db2.gz JOSLXAWRHYLYSR-ZJUUUORDSA-N 1 0 234.299 1.767 10 0 BDAERO CCCCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000049200047 168674782 /nfs/dbraw/zinc/67/47/82/168674782.db2.gz XMDNPBFYNCAIAW-GHMZBOCLSA-N 1 0 240.347 1.692 10 0 BDAERO COC(=O)C[C@@]1([NH3+])CCCC12CCCC2 ZINC000307626118 352706723 /nfs/dbraw/zinc/70/67/23/352706723.db2.gz TXINSYNXOQZRBX-LBPRGKRZSA-N 1 0 211.305 1.991 10 0 BDAERO Brc1ccc(N[C@@H]2CC[NH2+]C2)cn1 ZINC000232452528 352675644 /nfs/dbraw/zinc/67/56/44/352675644.db2.gz FDEQTHPVPHFFQO-MRVPVSSYSA-N 1 0 242.120 1.618 10 0 BDAERO COc1cc([C@](C)(F)C[NH3+])c(F)cn1 ZINC000307617116 352675749 /nfs/dbraw/zinc/67/57/49/352675749.db2.gz VBFPFGPDBFRHOC-SECBINFHSA-N 1 0 202.204 1.373 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCOC3CCC3)C[C@@H]2C1 ZINC000412047765 191242632 /nfs/dbraw/zinc/24/26/32/191242632.db2.gz PHNFFMAJQMFUSP-RWMBFGLXSA-N 1 0 239.359 1.648 10 0 BDAERO CC[C@@H]1[C@H](C2CC2)[NH2+][C@@H](C)C[S@]1=O ZINC000307667975 352747399 /nfs/dbraw/zinc/74/73/99/352747399.db2.gz IUKLENXUVYGZNK-ZLGIUQBVSA-N 1 0 201.335 1.284 10 0 BDAERO C[C@@H]1CCC[C@@H](C[NH3+])N1C1CSC1 ZINC000307663075 352748437 /nfs/dbraw/zinc/74/84/37/352748437.db2.gz IKXWFDBYQSLAQG-BDAKNGLRSA-N 1 0 200.351 1.304 10 0 BDAERO [NH3+][C@H](c1ccns1)[C@H]1CSCCO1 ZINC000307664926 352748798 /nfs/dbraw/zinc/74/87/98/352748798.db2.gz LEYQILBXMFOUNH-SVRRBLITSA-N 1 0 216.331 1.275 10 0 BDAERO Cc1cccc(C[S@@](=O)C2C[NH2+]C2)c1 ZINC000307672182 352751339 /nfs/dbraw/zinc/75/13/39/352751339.db2.gz WGPZGMBXEDNIOV-CQSZACIVSA-N 1 0 209.314 1.216 10 0 BDAERO [NH3+]CC1(F)CN(C(=O)NC2CCCCC2)C1 ZINC000725273373 538105159 /nfs/dbraw/zinc/10/51/59/538105159.db2.gz XGTWBZVQQGYUJI-UHFFFAOYSA-N 1 0 229.299 1.011 10 0 BDAERO CSC1([C@H](O)C2(C[NH3+])CCC2)CC1 ZINC000379354972 538105273 /nfs/dbraw/zinc/10/52/73/538105273.db2.gz KBZIBRIPINUCBV-MRVPVSSYSA-N 1 0 201.335 1.372 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCC12CC2 ZINC000638794099 352827307 /nfs/dbraw/zinc/82/73/07/352827307.db2.gz ABIOQIRLJJZAAZ-GRYCIOLGSA-N 1 0 236.359 1.538 10 0 BDAERO c1snnc1-c1nc2c(s1)C[NH2+]CC2 ZINC000307685034 352831443 /nfs/dbraw/zinc/83/14/43/352831443.db2.gz XHWNNBGBEOVBLD-UHFFFAOYSA-N 1 0 224.314 1.307 10 0 BDAERO CC(C)N(C(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000336212667 187907273 /nfs/dbraw/zinc/90/72/73/187907273.db2.gz BZZZADIONOQVQT-MWLCHTKSSA-N 1 0 210.321 1.241 10 0 BDAERO Cn1cncc1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328637224 187907986 /nfs/dbraw/zinc/90/79/86/187907986.db2.gz OMPHJIMPUBORTO-LLVKDONJSA-N 1 0 234.347 1.137 10 0 BDAERO O=C(NC[C@H]1CCCC12CC2)[C@H]1CCC[NH2+]C1 ZINC000638808344 352985237 /nfs/dbraw/zinc/98/52/37/352985237.db2.gz OCNCLKNFYTYYFW-NWDGAFQWSA-N 1 0 236.359 1.683 10 0 BDAERO CCn1c(C)nnc1CN1CCCCCC1 ZINC000334327963 352964301 /nfs/dbraw/zinc/96/43/01/352964301.db2.gz HSNVYEZEYKTIHC-UHFFFAOYSA-N 1 0 222.336 1.982 10 0 BDAERO O=C(N[C@H]1CCCC12CC2)[C@H]1CCC[NH2+]C1 ZINC000638833551 353015129 /nfs/dbraw/zinc/01/51/29/353015129.db2.gz YCXJLBHYFVVCNI-QWRGUYRKSA-N 1 0 222.332 1.435 10 0 BDAERO COc1ccc(F)cc1C(=O)[C@H](C)C[NH3+] ZINC000082373643 187947511 /nfs/dbraw/zinc/94/75/11/187947511.db2.gz LLRSMWKSOFOEMY-SSDOTTSWSA-N 1 0 211.236 1.612 10 0 BDAERO C[C@@H]1CSC[C@H]1NC1=[NH+]CCS1 ZINC000306597568 353029014 /nfs/dbraw/zinc/02/90/14/353029014.db2.gz ZQAVPKRVTRMJKH-RNFRBKRXSA-N 1 0 202.348 1.430 10 0 BDAERO COc1ccc([C@@H](O)[C@H](C)C[NH3+])cc1C ZINC000082376065 187947787 /nfs/dbraw/zinc/94/77/87/187947787.db2.gz IDSYFPTUUCJTGA-SKDRFNHKSA-N 1 0 209.289 1.632 10 0 BDAERO C[C@]1(CNN2CCOCC2)CCCS1 ZINC000306679119 353033873 /nfs/dbraw/zinc/03/38/73/353033873.db2.gz BXXGRQFWSIWWSE-SNVBAGLBSA-N 1 0 216.350 1.109 10 0 BDAERO FC(F)Cn1cncc1[C@@H]1CC[NH2+]C1 ZINC000131440375 353001164 /nfs/dbraw/zinc/00/11/64/353001164.db2.gz XPPWFVSGVOYVGD-SSDOTTSWSA-N 1 0 201.220 1.225 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCSC1 ZINC000038095348 187937513 /nfs/dbraw/zinc/93/75/13/187937513.db2.gz XCMBOKRECQWWEO-UWVGGRQHSA-N 1 0 201.335 1.651 10 0 BDAERO OCc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000638859209 353036132 /nfs/dbraw/zinc/03/61/32/353036132.db2.gz ZRDUPHKGXMXZHL-UONOGXRCSA-N 1 0 235.327 1.572 10 0 BDAERO C[C@]1([C@H]2OCC[C@@H]2C[NH3+])CCCS1 ZINC000306709285 353036230 /nfs/dbraw/zinc/03/62/30/353036230.db2.gz OXHAKSCLYXTTCY-KXUCPTDWSA-N 1 0 201.335 1.636 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCCC12CC2 ZINC000638831776 353012072 /nfs/dbraw/zinc/01/20/72/353012072.db2.gz BHRASUUXHGIPKP-RYUDHWBXSA-N 1 0 236.359 1.825 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC12CC2 ZINC000638832116 353013121 /nfs/dbraw/zinc/01/31/21/353013121.db2.gz DVBSOXYVVCEPEI-QWRGUYRKSA-N 1 0 224.348 1.809 10 0 BDAERO FC[C@H](c1cccs1)N1CC[NH2+]CC1 ZINC000307158726 353058220 /nfs/dbraw/zinc/05/82/20/353058220.db2.gz ZXDNYWUGSRPGTR-SECBINFHSA-N 1 0 214.309 1.664 10 0 BDAERO C[C@H]1CN(C(=O)C2CC=CC2)C[C@@H]1C[NH3+] ZINC000638901345 353063006 /nfs/dbraw/zinc/06/30/06/353063006.db2.gz JOTOVZIYHFSREE-ONGXEEELSA-N 1 0 208.305 1.006 10 0 BDAERO CC1(O)CCN(CCC[NH+]2CCCC2)CC1 ZINC000088023583 535196328 /nfs/dbraw/zinc/19/63/28/535196328.db2.gz VMRRCGPSOQOLMN-UHFFFAOYSA-N 1 0 226.364 1.319 10 0 BDAERO C[C@H]1CN(C(=O)CCC2CC2)C[C@H]1C[NH3+] ZINC000638916150 353071208 /nfs/dbraw/zinc/07/12/08/353071208.db2.gz RGEJYCCJLCGWCT-GXSJLCMTSA-N 1 0 210.321 1.230 10 0 BDAERO CC[NH2+]Cc1cnn(C)c1Br ZINC000306794530 353038636 /nfs/dbraw/zinc/03/86/36/353038636.db2.gz GAMCDRPUUYDYQM-UHFFFAOYSA-N 1 0 218.098 1.292 10 0 BDAERO C[C@H](CN(C)Cc1ccccc1)[NH2+]CCO ZINC000306815320 353041174 /nfs/dbraw/zinc/04/11/74/353041174.db2.gz BVGRUPHDNCVYRS-GFCCVEGCSA-N 1 0 222.332 1.089 10 0 BDAERO C[C@H]1CN(C(=O)CCc2ccccc2)C[C@H]1C[NH3+] ZINC000638884060 353051275 /nfs/dbraw/zinc/05/12/75/353051275.db2.gz FBMHPYZVCSCWIB-GXTWGEPZSA-N 1 0 246.354 1.672 10 0 BDAERO CC(C)C[C@H](C[NH3+])CCC(=O)N(C)C ZINC000076582878 187964621 /nfs/dbraw/zinc/96/46/21/187964621.db2.gz TZQVHBBGFCVQHM-SNVBAGLBSA-N 1 0 200.326 1.476 10 0 BDAERO Cc1ccccc1CC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638885283 353052053 /nfs/dbraw/zinc/05/20/53/353052053.db2.gz MZGBGEOLQMVMOO-JSGCOSHPSA-N 1 0 246.354 1.591 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1C[NH3+] ZINC000638885912 353052824 /nfs/dbraw/zinc/05/28/24/353052824.db2.gz OVQSCIJXLJHKQC-MWLCHTKSSA-N 1 0 236.290 1.493 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000638887123 353054014 /nfs/dbraw/zinc/05/40/14/353054014.db2.gz UAJIPQLSIIGFDV-SCZZXKLOSA-N 1 0 238.356 1.723 10 0 BDAERO CCC[C@H](CC)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336761270 188001006 /nfs/dbraw/zinc/00/10/06/188001006.db2.gz MOHWTQROBUBLCY-DCAQKATOSA-N 1 0 212.337 1.822 10 0 BDAERO CC(C)C[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336761004 188001620 /nfs/dbraw/zinc/00/16/20/188001620.db2.gz MSIXAFOGBFAUMI-DCAQKATOSA-N 1 0 212.337 1.678 10 0 BDAERO NC(=S)c1cccc(C[NH+]2CCCC2)c1 ZINC000019435903 188002453 /nfs/dbraw/zinc/00/24/53/188002453.db2.gz BFAOYJRTRMOXFL-UHFFFAOYSA-N 1 0 220.341 1.917 10 0 BDAERO CC(C)([NH3+])c1noc(-c2ccccc2)n1 ZINC000041052810 187977023 /nfs/dbraw/zinc/97/70/23/187977023.db2.gz QPGOYYTZWUXAST-UHFFFAOYSA-N 1 0 203.245 1.930 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000104222143 187978350 /nfs/dbraw/zinc/97/83/50/187978350.db2.gz LCWUNIRFHCRPBC-JOYOIKCWSA-N 1 0 236.290 1.297 10 0 BDAERO CSc1ccc(C[C@@H](C)[NH2+]CCO)cc1 ZINC000049013988 187981141 /nfs/dbraw/zinc/98/11/41/187981141.db2.gz QIHVJZFQSKBHDX-SNVBAGLBSA-N 1 0 225.357 1.921 10 0 BDAERO F[C@@]1(Cc2cnsn2)CCC[NH2+]C1 ZINC000307454354 353077516 /nfs/dbraw/zinc/07/75/16/353077516.db2.gz XEASZGQLAJZQLM-MRVPVSSYSA-N 1 0 201.270 1.172 10 0 BDAERO CC[C@]1(C)C[NH2+]C[C@@H]1c1cc(C)nn1C ZINC000536951317 323956285 /nfs/dbraw/zinc/95/62/85/323956285.db2.gz QADBGTJFKHOPHX-ZYHUDNBSSA-N 1 0 207.321 1.832 10 0 BDAERO C[C@@H]1SCC[C@H]1[NH2+]CC1(C)OCCO1 ZINC000307707855 353096301 /nfs/dbraw/zinc/09/63/01/353096301.db2.gz ZXHDGUZPOOFLCU-DTWKUNHWSA-N 1 0 217.334 1.233 10 0 BDAERO CCC[C@H]1C[NH2+]C[C@@H]1c1cc(C)n(C)n1 ZINC000536951323 323956827 /nfs/dbraw/zinc/95/68/27/323956827.db2.gz QCUBFOLSGJXYHL-QWRGUYRKSA-N 1 0 207.321 1.832 10 0 BDAERO CC(=O)Nc1ccc([C@@H](O)[C@@H](C)[NH3+])cc1 ZINC000020216832 188005734 /nfs/dbraw/zinc/00/57/34/188005734.db2.gz GWHYBGAEQGKOLS-HQJQHLMTSA-N 1 0 208.261 1.026 10 0 BDAERO CCc1ccsc1CN1CC[NH2+]CC1 ZINC000052861002 353122423 /nfs/dbraw/zinc/12/24/23/353122423.db2.gz SSIWTGQGZIWNCD-UHFFFAOYSA-N 1 0 210.346 1.716 10 0 BDAERO C([NH2+]C1CC[NH2+]CC1)[C@H]1CCCSC1 ZINC000307161227 188007835 /nfs/dbraw/zinc/00/78/35/188007835.db2.gz WWDSUDMXZZGSEY-SNVBAGLBSA-N 1 0 214.378 1.471 10 0 BDAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1cccc(O)c1 ZINC000054929237 188008049 /nfs/dbraw/zinc/00/80/49/188008049.db2.gz ZXQAYFOTJOCJOQ-RYUDHWBXSA-N 1 0 209.289 1.799 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000227127693 188012702 /nfs/dbraw/zinc/01/27/02/188012702.db2.gz MIDYUCBTQHPSHW-AAEUAGOBSA-N 1 0 238.331 1.138 10 0 BDAERO C(CN1CCCOCC1)[C@H]1CCCC[NH2+]1 ZINC000061918648 188014149 /nfs/dbraw/zinc/01/41/49/188014149.db2.gz FKLWAHHGYUWSRI-GFCCVEGCSA-N 1 0 212.337 1.241 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000247127124 188018931 /nfs/dbraw/zinc/01/89/31/188018931.db2.gz JGFKPKOODODAJO-ZYHUDNBSSA-N 1 0 248.326 1.897 10 0 BDAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccnc2cccnc21 ZINC000379099224 353132638 /nfs/dbraw/zinc/13/26/38/353132638.db2.gz DNMSDHFPSNYSQS-NXEZZACHSA-N 1 0 230.315 1.589 10 0 BDAERO CC(C)[C@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842690 188004269 /nfs/dbraw/zinc/00/42/69/188004269.db2.gz VBEGCRYFVDOBOT-JTQLQIEISA-N 1 0 205.261 1.512 10 0 BDAERO COc1ccc([C@@H](O)[C@H](C)[NH3+])cc1OC ZINC000020216848 188005404 /nfs/dbraw/zinc/00/54/04/188005404.db2.gz JTIPLNDENHDFNZ-CPCISQLKSA-N 1 0 211.261 1.084 10 0 BDAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)C1C[NH2+]C1 ZINC000091406834 188049396 /nfs/dbraw/zinc/04/93/96/188049396.db2.gz NPTSAXRUKMGMRS-KGYLQXTDSA-N 1 0 238.375 1.783 10 0 BDAERO [NH3+][C@@H](C1=COCCC1)[C@@H]1CSCCS1 ZINC000160127664 353144296 /nfs/dbraw/zinc/14/42/96/353144296.db2.gz AZJGWBDZFKHRER-UWVGGRQHSA-N 1 0 231.386 1.857 10 0 BDAERO CC[C@H](C)S(=O)(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000218763100 353155436 /nfs/dbraw/zinc/15/54/36/353155436.db2.gz NICDMPRWIBLGOW-YIZRAAEISA-N 1 0 205.323 1.080 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000638972410 353177686 /nfs/dbraw/zinc/17/76/86/353177686.db2.gz HCTYWGJWWYHGEX-LOWVWBTDSA-N 1 0 224.348 1.809 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cscn1 ZINC000127046004 538109104 /nfs/dbraw/zinc/10/91/04/538109104.db2.gz GJDYVOOIMCSFFD-IUCAKERBSA-N 1 0 200.307 1.552 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cscn1 ZINC000127045545 538109119 /nfs/dbraw/zinc/10/91/19/538109119.db2.gz GJDYVOOIMCSFFD-BDAKNGLRSA-N 1 0 200.307 1.552 10 0 BDAERO [NH3+]C[C@@]1([C@H]2CCSC2)CCCOC1 ZINC000405303098 353166445 /nfs/dbraw/zinc/16/64/45/353166445.db2.gz KRHNMZCCPRUETA-UWVGGRQHSA-N 1 0 201.335 1.495 10 0 BDAERO C[C@@H](CC1CCC1)NC(=O)C1([NH3+])CCOCC1 ZINC000638995783 353238065 /nfs/dbraw/zinc/23/80/65/353238065.db2.gz FZTPUSHGFWCSPL-JTQLQIEISA-N 1 0 240.347 1.189 10 0 BDAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000134548329 538112898 /nfs/dbraw/zinc/11/28/98/538112898.db2.gz MUYXIUVXCXNVQV-XRNSZHNASA-N 1 0 223.320 1.936 10 0 BDAERO C[C@H](CC1CCC1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000638996143 353239326 /nfs/dbraw/zinc/23/93/26/353239326.db2.gz JUSLKHVVXCDSDQ-KOLCDFICSA-N 1 0 210.321 1.291 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc(Br)o1 ZINC000127983819 353279311 /nfs/dbraw/zinc/27/93/11/353279311.db2.gz CWFGIDYAVCUPLZ-MRVPVSSYSA-N 1 0 234.093 1.469 10 0 BDAERO Cn1ncnc1S[C@@H]1CCC[C@H]([NH3+])C1 ZINC000128080695 353282623 /nfs/dbraw/zinc/28/26/23/353282623.db2.gz CZGSAIWNTDMLHK-JGVFFNPUSA-N 1 0 212.322 1.177 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639029926 353298653 /nfs/dbraw/zinc/29/86/53/353298653.db2.gz FRSYTHDJQUZLPJ-VAHUJWDWSA-N 1 0 210.321 1.419 10 0 BDAERO Cc1ccncc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000135450576 538115246 /nfs/dbraw/zinc/11/52/46/538115246.db2.gz QMKZOAVALVNCEO-QWHCGFSZSA-N 1 0 220.316 1.783 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ncc(C)s2)C1 ZINC000381775298 538116020 /nfs/dbraw/zinc/11/60/20/538116020.db2.gz WUFUHNPQDGPJQL-KOLCDFICSA-N 1 0 239.388 1.881 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccc(CO)cc2)c1 ZINC000226558372 538116811 /nfs/dbraw/zinc/11/68/11/538116811.db2.gz MLRLCNJHYKDDBU-UHFFFAOYSA-N 1 0 245.326 1.474 10 0 BDAERO CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H]1CCSC1 ZINC000405448346 353419891 /nfs/dbraw/zinc/41/98/91/353419891.db2.gz FYTAMQUTCDPNGN-IWSPIJDZSA-N 1 0 200.351 1.207 10 0 BDAERO CC(C)(C)OC(=O)NCC[NH2+][C@]1(C)CCOC1 ZINC000160184648 353404194 /nfs/dbraw/zinc/40/41/94/353404194.db2.gz LKVFEVWQHVJUNC-GFCCVEGCSA-N 1 0 244.335 1.280 10 0 BDAERO [NH3+]C[C@@]1([C@@H]2CCSC2)CCCS1 ZINC000405461578 353496947 /nfs/dbraw/zinc/49/69/47/353496947.db2.gz ITDWYVYLTWCBNN-RKDXNWHRSA-N 1 0 203.376 1.964 10 0 BDAERO [NH3+]C[C@]1([C@@H]2CCSC2)CCCS1 ZINC000405461573 353497082 /nfs/dbraw/zinc/49/70/82/353497082.db2.gz ITDWYVYLTWCBNN-BDAKNGLRSA-N 1 0 203.376 1.964 10 0 BDAERO CN1CC[C@@H]([NH3+])[C@@H]1c1ncc(Cl)s1 ZINC000223270922 353595362 /nfs/dbraw/zinc/59/53/62/353595362.db2.gz BZVXVGIARFCDDF-IYSWYEEDSA-N 1 0 217.725 1.500 10 0 BDAERO O=c1[nH]c(C[NH2+][C@@H]2CCSC2)cs1 ZINC000231699303 353644892 /nfs/dbraw/zinc/64/48/92/353644892.db2.gz CGPDQAAQJMZECW-ZCFIWIBFSA-N 1 0 216.331 1.032 10 0 BDAERO CN(C(=O)[C@H]1CCCS1)[C@@H]1CCC[NH2+]CC1 ZINC000231478459 353606450 /nfs/dbraw/zinc/60/64/50/353606450.db2.gz JSMRHPUBEOIJNH-GHMZBOCLSA-N 1 0 242.388 1.483 10 0 BDAERO [NH3+][C@H]1COc2ccc3ncccc3c2C1 ZINC000039117522 259448168 /nfs/dbraw/zinc/44/81/68/259448168.db2.gz AHFVYUVBTCYPCL-MRVPVSSYSA-N 1 0 200.241 1.497 10 0 BDAERO CC(C)=CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917377 358479952 /nfs/dbraw/zinc/47/99/52/358479952.db2.gz MCKQBSRXHJEFKW-STQMWFEESA-N 1 0 236.359 1.943 10 0 BDAERO CC(C)Oc1nc[nH+]c(NN)c1Br ZINC000232692565 353750255 /nfs/dbraw/zinc/75/02/55/353750255.db2.gz XKQGICATQXYWIU-UHFFFAOYSA-N 1 0 247.096 1.312 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2ncnn2C)C[C@@H](C)O1 ZINC000639137092 353841210 /nfs/dbraw/zinc/84/12/10/353841210.db2.gz YRVMYVRLJUPFAP-NXEZZACHSA-N 1 0 238.335 1.108 10 0 BDAERO Fc1cnc(OCCC[C@H]2CCCC[NH2+]2)nc1 ZINC000095072041 181018732 /nfs/dbraw/zinc/01/87/32/181018732.db2.gz FHNJMOSBELPEPW-LLVKDONJSA-N 1 0 239.294 1.917 10 0 BDAERO Fc1cnc(SC[C@H]2CCCC[NH2+]2)nc1 ZINC000095072051 181018969 /nfs/dbraw/zinc/01/89/69/181018969.db2.gz NGMFCZLPKYPWGI-SECBINFHSA-N 1 0 227.308 1.850 10 0 BDAERO CCC[C@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004435 491056083 /nfs/dbraw/zinc/05/60/83/491056083.db2.gz KWIFRQZXKNZQNI-RYUDHWBXSA-N 1 0 214.353 1.485 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]CCCC(C)C)C1 ZINC000086004519 491056093 /nfs/dbraw/zinc/05/60/93/491056093.db2.gz RRQWBLIDZJJKPA-ZDUSSCGKSA-N 1 0 228.380 1.733 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)CC(C)C)C1 ZINC000086004477 491056095 /nfs/dbraw/zinc/05/60/95/491056095.db2.gz XPLRNHLRMCZMFX-STQMWFEESA-N 1 0 228.380 1.731 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000086004693 491056147 /nfs/dbraw/zinc/05/61/47/491056147.db2.gz UFGHGXPWDNPGSC-YNEHKIRRSA-N 1 0 226.364 1.485 10 0 BDAERO Cc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccn1 ZINC000630078591 363282861 /nfs/dbraw/zinc/28/28/61/363282861.db2.gz URQKTZNSQBBMPI-GWCFXTLKSA-N 1 0 219.332 1.417 10 0 BDAERO CC1(C[NH2+][C@@H]2CCCN(CCO)C2)CCC1 ZINC000309748720 491058848 /nfs/dbraw/zinc/05/88/48/491058848.db2.gz GEIISPYEKWIPKK-GFCCVEGCSA-N 1 0 226.364 1.223 10 0 BDAERO CCCCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000231467909 363344760 /nfs/dbraw/zinc/34/47/60/363344760.db2.gz RDOYZJUIWFLJSX-NSHDSACASA-N 1 0 212.337 1.777 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCCC1 ZINC000113225276 354253720 /nfs/dbraw/zinc/25/37/20/354253720.db2.gz PYSMSVOYZFSKIC-WCQYABFASA-N 1 0 236.359 1.872 10 0 BDAERO CCC(C)(C)CC[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344698076 354336242 /nfs/dbraw/zinc/33/62/42/354336242.db2.gz CSNNOCVQYFZYGF-NEPJUHHUSA-N 1 0 229.364 1.894 10 0 BDAERO O=C(NCC(C1CC1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000083894599 354427450 /nfs/dbraw/zinc/42/74/50/354427450.db2.gz LTHCXJYKLYWFGG-LLVKDONJSA-N 1 0 222.332 1.148 10 0 BDAERO Cc1cccc([C@]2(O)C[N@@H+](C)C[C@H]2C)c1 ZINC000521401579 259455760 /nfs/dbraw/zinc/45/57/60/259455760.db2.gz JCXDJNFSKKWOCZ-YPMHNXCESA-N 1 0 205.301 1.764 10 0 BDAERO C[C@H]1C[N@H+](C)C[C@@]1(O)c1ccc(F)cc1 ZINC000521401569 259455764 /nfs/dbraw/zinc/45/57/64/259455764.db2.gz JBHANHZRXGDCOT-CABZTGNLSA-N 1 0 209.264 1.595 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000083906901 354619934 /nfs/dbraw/zinc/61/99/34/354619934.db2.gz TVSSXICGGQHLEA-JTQLQIEISA-N 1 0 212.337 1.537 10 0 BDAERO CC(C)([NH3+])c1cn(CCC2CCC2)nn1 ZINC000398643051 363393645 /nfs/dbraw/zinc/39/36/45/363393645.db2.gz AYTJBSSLEYVRRV-UHFFFAOYSA-N 1 0 208.309 1.662 10 0 BDAERO CN(C)c1cc(Br)ccc1C(N)=[NH2+] ZINC000166032031 354864210 /nfs/dbraw/zinc/86/42/10/354864210.db2.gz ALLCAFBGKUKAQA-UHFFFAOYSA-N 1 0 242.120 1.799 10 0 BDAERO C[C@@H]1SCCC[C@@H]1[NH2+][C@H]1CCOC1 ZINC000252491116 363436365 /nfs/dbraw/zinc/43/63/65/363436365.db2.gz GSXLAYCUCQSMIK-GUBZILKMSA-N 1 0 201.335 1.649 10 0 BDAERO CCC(C)(C)CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000346592456 354986954 /nfs/dbraw/zinc/98/69/54/354986954.db2.gz REFFBMJCHHNEMX-CYBMUJFWSA-N 1 0 242.363 1.125 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCOC1CCC1 ZINC000346828608 355128438 /nfs/dbraw/zinc/12/84/38/355128438.db2.gz IMVHTXPVYSTBEL-GFCCVEGCSA-N 1 0 227.348 1.792 10 0 BDAERO C[C@@]1([NH3+])CCN(CC=C(Cl)Cl)C1 ZINC000405749341 355170555 /nfs/dbraw/zinc/17/05/55/355170555.db2.gz CESJEZNUIPNHJA-MRVPVSSYSA-N 1 0 209.120 1.729 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccns2)C1 ZINC000639241313 355226820 /nfs/dbraw/zinc/22/68/20/355226820.db2.gz JNKFSQAAAXHGAW-DTWKUNHWSA-N 1 0 212.318 1.346 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CNc1nccnc1C(C)C ZINC000413025305 191343317 /nfs/dbraw/zinc/34/33/17/191343317.db2.gz QCGWCPRTWQEEBD-LBPRGKRZSA-N 1 0 248.374 1.918 10 0 BDAERO NC(=[NH2+])CCN(C[C@@H]1CCOC1)c1ccccc1 ZINC000049688768 181187024 /nfs/dbraw/zinc/18/70/24/181187024.db2.gz IXMBBCBZIPKVMC-LBPRGKRZSA-N 1 0 247.342 1.856 10 0 BDAERO CNc1ncc(Br)cc1C[NH3+] ZINC000166299488 355357928 /nfs/dbraw/zinc/35/79/28/355357928.db2.gz QKSOAUBEBZDBCR-UHFFFAOYSA-N 1 0 216.082 1.345 10 0 BDAERO NC(=[NH2+])c1cc(COc2ccccc2)ccn1 ZINC000068762216 181193504 /nfs/dbraw/zinc/19/35/04/181193504.db2.gz VNPZPDJQVORVRD-UHFFFAOYSA-N 1 0 227.267 1.945 10 0 BDAERO CC[C@H]1C[NH2+]CC[C@]12NCCCS2 ZINC000229823280 355419651 /nfs/dbraw/zinc/41/96/51/355419651.db2.gz PIEFSPJPZJWQET-VHSXEESVSA-N 1 0 200.351 1.429 10 0 BDAERO NC(=[NH2+])c1cc(OC[C@@H]2CCCCO2)ccn1 ZINC000061814531 181194095 /nfs/dbraw/zinc/19/40/95/181194095.db2.gz IEWPTWVWTGFWFV-JTQLQIEISA-N 1 0 235.287 1.314 10 0 BDAERO NC(=[NH2+])c1c(F)cccc1OC[C@H]1CCOC1 ZINC000049688801 181192868 /nfs/dbraw/zinc/19/28/68/181192868.db2.gz ANNUORQQEYNRQR-QMMMGPOBSA-N 1 0 238.262 1.525 10 0 BDAERO NC(=[NH2+])c1cc(Br)cc2c1NCC2 ZINC000076188344 181194435 /nfs/dbraw/zinc/19/44/35/181194435.db2.gz ADAFHGYYEPLVRD-UHFFFAOYSA-N 1 0 240.104 1.701 10 0 BDAERO NC(=[NH2+])c1ccc(OCCCCCO)cc1 ZINC000006535292 181194976 /nfs/dbraw/zinc/19/49/76/181194976.db2.gz LXWVMVSVUBHKJV-UHFFFAOYSA-N 1 0 222.288 1.512 10 0 in-vitro BDAERO NC(=[NH2+])c1ccc(N(CCO)C2CCCC2)cc1 ZINC000042508050 181195061 /nfs/dbraw/zinc/19/50/61/181195061.db2.gz LABGLOYPSGVGRQ-UHFFFAOYSA-N 1 0 247.342 1.712 10 0 BDAERO NC(=[NH2+])c1cccnc1OC[C@H]1CCCCO1 ZINC000019434888 181196537 /nfs/dbraw/zinc/19/65/37/181196537.db2.gz DEYMQBPXCRZTDL-SECBINFHSA-N 1 0 235.287 1.314 10 0 BDAERO NC(=[NH2+])c1cccnc1-n1cnc2ccccc21 ZINC000019422911 181196603 /nfs/dbraw/zinc/19/66/03/181196603.db2.gz CYUBQAPTXNSUTF-UHFFFAOYSA-N 1 0 237.266 1.705 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)CS1 ZINC000639334730 355765078 /nfs/dbraw/zinc/76/50/78/355765078.db2.gz JMZLFBHUCWXIGD-WOOKNIGNSA-N 1 0 201.335 1.241 10 0 BDAERO CN1C[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1=O ZINC000639322606 355724345 /nfs/dbraw/zinc/72/43/45/355724345.db2.gz XISKQKYPDCMRQZ-WISYIIOYSA-N 1 0 222.332 1.100 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000389142884 355731565 /nfs/dbraw/zinc/73/15/65/355731565.db2.gz HODAIQODDNGFDF-MELADBBJSA-N 1 0 240.391 1.874 10 0 BDAERO Cc1ccc(CNC2CC[NH+](CCO)CC2)o1 ZINC000399160965 355777180 /nfs/dbraw/zinc/77/71/80/355777180.db2.gz FGJHXHQJTGBUHQ-UHFFFAOYSA-N 1 0 238.331 1.134 10 0 BDAERO CC(C)[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC000309661595 535290825 /nfs/dbraw/zinc/29/08/25/535290825.db2.gz GFACJTDPTNDLHI-NSHDSACASA-N 1 0 220.320 1.443 10 0 BDAERO CCn1cc(C[NH2+][C@@H]2CCN(CC)C2)cn1 ZINC000389197253 355838725 /nfs/dbraw/zinc/83/87/25/355838725.db2.gz XOIJTNMTVWOAFV-GFCCVEGCSA-N 1 0 222.336 1.087 10 0 BDAERO CC[C@@H](N)c1nnc(C(F)(F)F)s1 ZINC000129665342 355847579 /nfs/dbraw/zinc/84/75/79/355847579.db2.gz IAIXAYXEQBTMQH-GSVOUGTGSA-N 1 0 211.212 1.967 10 0 BDAERO CO[C@H](C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000389200947 355849138 /nfs/dbraw/zinc/84/91/38/355849138.db2.gz DIPILBAPAXMZBQ-NXEZZACHSA-N 1 0 203.326 1.408 10 0 BDAERO NC(=O)C1([NH2+]CC2CC2)Cc2ccccc2C1 ZINC000038000950 181214676 /nfs/dbraw/zinc/21/46/76/181214676.db2.gz PMTFCKLYEFDHFO-UHFFFAOYSA-N 1 0 230.311 1.009 10 0 BDAERO CC[N@@H+]1CC[C@H](Nc2ncc(Cl)cn2)C1 ZINC000389236095 355934292 /nfs/dbraw/zinc/93/42/92/355934292.db2.gz CAFMXESRWYVCIM-VIFPVBQESA-N 1 0 226.711 1.636 10 0 BDAERO CCCc1nc(=N[C@@H]2CC[N@H+](CC)C2)s[n-]1 ZINC000389380448 355992794 /nfs/dbraw/zinc/99/27/94/355992794.db2.gz HXTJIJLJPXGFAO-SECBINFHSA-N 1 0 240.376 1.419 10 0 BDAERO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000216233175 355950862 /nfs/dbraw/zinc/95/08/62/355950862.db2.gz VOELEUOGEUXWRA-UTUOFQBUSA-N 1 0 229.364 1.941 10 0 BDAERO NC(=O)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000037232000 181250344 /nfs/dbraw/zinc/25/03/44/181250344.db2.gz UGLAZXPXPAOQLG-UHFFFAOYSA-N 1 0 239.344 1.381 10 0 BDAERO CCc1nnc(C(C)C)n1C1CC[NH2+]CC1 ZINC000167544558 356212686 /nfs/dbraw/zinc/21/26/86/356212686.db2.gz BZUKZVUNRZDNSH-UHFFFAOYSA-N 1 0 222.336 1.888 10 0 BDAERO NC(=O)Nc1cccc(NCc2c[nH]cn2)c1 ZINC000054764901 181262836 /nfs/dbraw/zinc/26/28/36/181262836.db2.gz XBPLJWWKMHSXNZ-UHFFFAOYSA-N 1 0 231.259 1.512 10 0 BDAERO CC1(C)CO[C@H](CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000639480901 356293454 /nfs/dbraw/zinc/29/34/54/356293454.db2.gz QEAGFTFZXNTIAP-STQMWFEESA-N 1 0 238.375 1.582 10 0 BDAERO NC(=O)[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CC=CCC1 ZINC000037941328 181264321 /nfs/dbraw/zinc/26/43/21/181264321.db2.gz OKJOSENXJYHKNK-KGLIPLIRSA-N 1 0 244.338 1.986 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000228160526 491091227 /nfs/dbraw/zinc/09/12/27/491091227.db2.gz LSEWZLSZNAADRB-TUAOUCFPSA-N 1 0 213.321 1.305 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]1CC[NH3+] ZINC000142487630 356469478 /nfs/dbraw/zinc/46/94/78/356469478.db2.gz KHJAQTONQACTCR-QMMMGPOBSA-N 1 0 200.282 1.345 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCC1)c1cccc(O)c1 ZINC000037968916 181278226 /nfs/dbraw/zinc/27/82/26/181278226.db2.gz UGJATLQMYTWLIJ-GFCCVEGCSA-N 1 0 234.299 1.451 10 0 BDAERO C[NH2+][C@H]1CCCN(c2ncccc2OC)C1 ZINC000160175501 356544845 /nfs/dbraw/zinc/54/48/45/356544845.db2.gz XPSFYTAGVQGQMC-JTQLQIEISA-N 1 0 221.304 1.278 10 0 BDAERO CC(C)n1ccnc1CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000336192995 134124116 /nfs/dbraw/zinc/12/41/16/134124116.db2.gz HPJGSGXIZRRSQN-NWDGAFQWSA-N 1 0 236.363 1.646 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(Br)o1 ZINC000083303944 538466859 /nfs/dbraw/zinc/46/68/59/538466859.db2.gz FOVMQYYJNVBMSJ-YFKPBYRVSA-N 1 0 220.066 1.424 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@]2(C[NH3+])C[C@H]12 ZINC000083323413 538468130 /nfs/dbraw/zinc/46/81/30/538468130.db2.gz GINXHIFJXMDZAH-JOYOIKCWSA-N 1 0 226.320 1.735 10 0 BDAERO Cc1cccc(C[NH2+][C@H]2CCCN(CCO)C2)c1 ZINC000384362861 356621390 /nfs/dbraw/zinc/62/13/90/356621390.db2.gz HZEFWPMLNOFESU-HNNXBMFYSA-N 1 0 248.370 1.541 10 0 BDAERO [NH3+]C[C@H]1CCO[C@@H]1c1cnn(C2CC2)c1 ZINC000675058764 538481899 /nfs/dbraw/zinc/48/18/99/538481899.db2.gz WXJMPYPTOANARD-KCJUWKMLSA-N 1 0 207.277 1.254 10 0 BDAERO C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H](CO)O2)C1 ZINC000675058993 538483452 /nfs/dbraw/zinc/48/34/52/538483452.db2.gz GFOHXWXTXMNEEG-SDDRHHMPSA-N 1 0 213.321 1.258 10 0 BDAERO CCC(C)(C)NC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000675050991 538473351 /nfs/dbraw/zinc/47/33/51/538473351.db2.gz FFNZDHXQNHWYOC-GHMZBOCLSA-N 1 0 241.379 1.720 10 0 BDAERO O=C(NC[C@]12C[C@H](C[NH2+]1)CCC2)C1CCC1 ZINC000675051693 538475223 /nfs/dbraw/zinc/47/52/23/538475223.db2.gz QLOLPDOSCGIHSY-MFKMUULPSA-N 1 0 222.332 1.435 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000675051685 538475270 /nfs/dbraw/zinc/47/52/70/538475270.db2.gz YSHYRDKYKPPBGP-IJLUTSLNSA-N 1 0 241.379 1.576 10 0 BDAERO CCCC[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056850 538478881 /nfs/dbraw/zinc/47/88/81/538478881.db2.gz QUFBKIVSCYBIJS-UHFFFAOYSA-N 1 0 245.388 1.734 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675068610 538497074 /nfs/dbraw/zinc/49/70/74/538497074.db2.gz BXNBHDAMSBCVOW-GVXVVHGQSA-N 1 0 224.348 1.681 10 0 BDAERO CC[C@H]1C[N@H+](CC(O)(CC)CC)CCO1 ZINC000162995452 202135320 /nfs/dbraw/zinc/13/53/20/202135320.db2.gz XCNZRLZQOOBHKU-NSHDSACASA-N 1 0 215.337 1.648 10 0 BDAERO CC(C)CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675069932 538499237 /nfs/dbraw/zinc/49/92/37/538499237.db2.gz JTLFTJTVYUVHLI-NOOOWODRSA-N 1 0 224.348 1.522 10 0 BDAERO Cc1c(F)ccc2cc(C[NH3+])c(=O)[nH]c12 ZINC000675069952 538499261 /nfs/dbraw/zinc/49/92/61/538499261.db2.gz NIGCTAHGAXVBAD-UHFFFAOYSA-N 1 0 206.220 1.847 10 0 BDAERO CCCNC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675070661 538500907 /nfs/dbraw/zinc/50/09/07/538500907.db2.gz REYPNDMLKDJSSM-XWLWVQCSSA-N 1 0 225.336 1.069 10 0 BDAERO COc1ccc(OC)c2nc(OC)c(C[NH3+])cc12 ZINC000675070367 538500926 /nfs/dbraw/zinc/50/09/26/538500926.db2.gz VJQLLPSLUARIFV-UHFFFAOYSA-N 1 0 248.282 1.719 10 0 BDAERO [NH3+]C[C@@]12C[C@@H]1CCCN2C(=O)CC1CC1 ZINC000675070329 538501363 /nfs/dbraw/zinc/50/13/63/538501363.db2.gz OLCGLJFKEFQNLI-JQWIXIFHSA-N 1 0 208.305 1.126 10 0 BDAERO C[C@@H]([NH3+])c1ccc(-c2c(N)cnn2C)cc1F ZINC000675071049 538501878 /nfs/dbraw/zinc/50/18/78/538501878.db2.gz WHJVPHRDPMSAAT-SSDOTTSWSA-N 1 0 234.278 1.828 10 0 BDAERO CCC[C@H](C)C(=O)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675071018 538502103 /nfs/dbraw/zinc/50/21/03/538502103.db2.gz VOYMHCSQSYNDNS-QWRGUYRKSA-N 1 0 240.347 1.012 10 0 BDAERO COCC[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000167646422 134153463 /nfs/dbraw/zinc/15/34/63/134153463.db2.gz HARINIAJHSADRE-ZJUUUORDSA-N 1 0 203.326 1.408 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675074030 538506990 /nfs/dbraw/zinc/50/69/90/538506990.db2.gz QKIFKLAUEVWBHR-DMDPSCGWSA-N 1 0 239.363 1.554 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675074035 538507146 /nfs/dbraw/zinc/50/71/46/538507146.db2.gz QKIFKLAUEVWBHR-GVXVVHGQSA-N 1 0 239.363 1.554 10 0 BDAERO COCCC[NH2+]Cc1c(OC)nsc1OC ZINC000675075073 538507756 /nfs/dbraw/zinc/50/77/56/538507756.db2.gz GDQUGKQDNIFHPO-UHFFFAOYSA-N 1 0 246.332 1.286 10 0 BDAERO Cc1cc(CC2=C[C@H](O)C[NH2+]C2)cs1 ZINC000675076748 538511647 /nfs/dbraw/zinc/51/16/47/538511647.db2.gz GEBBPBSFRKRFNZ-NSHDSACASA-N 1 0 209.314 1.490 10 0 BDAERO CCOC[C@@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675069218 538498325 /nfs/dbraw/zinc/49/83/25/538498325.db2.gz XBIQSOSHEYRAES-JTQLQIEISA-N 1 0 209.293 1.262 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(F)cc1Cl ZINC000083557732 538513340 /nfs/dbraw/zinc/51/33/40/538513340.db2.gz KAOOWYDXAAFDBY-SECBINFHSA-N 1 0 203.644 1.861 10 0 BDAERO [NH3+][C@@H]1C=C(c2cccc(F)c2F)CNC1 ZINC000675077911 538513603 /nfs/dbraw/zinc/51/36/03/538513603.db2.gz JXFZRIWNIJPGQZ-MRVPVSSYSA-N 1 0 210.227 1.279 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(F)cc1Br ZINC000083557831 538513652 /nfs/dbraw/zinc/51/36/52/538513652.db2.gz IJUCINMHQTWNGN-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+][C@H]1C=C(c2cccc(F)c2F)CNC1 ZINC000675077915 538514081 /nfs/dbraw/zinc/51/40/81/538514081.db2.gz JXFZRIWNIJPGQZ-QMMMGPOBSA-N 1 0 210.227 1.279 10 0 BDAERO CC1(CC2=C[C@H](O)C[NH2+]C2)CCOCC1 ZINC000675078051 538515107 /nfs/dbraw/zinc/51/51/07/538515107.db2.gz VDWBNAJHLNQARH-NSHDSACASA-N 1 0 211.305 1.084 10 0 BDAERO O[C@@H]1C=C(c2ccsc2Cl)C[NH2+]C1 ZINC000675078072 538515180 /nfs/dbraw/zinc/51/51/80/538515180.db2.gz VMFFAEWEZIBJJR-SSDOTTSWSA-N 1 0 215.705 1.749 10 0 BDAERO O[C@@H]1C=C(c2cscc2Cl)C[NH2+]C1 ZINC000675077860 538515426 /nfs/dbraw/zinc/51/54/26/538515426.db2.gz SMNWHDXUSYQSIE-SSDOTTSWSA-N 1 0 215.705 1.749 10 0 BDAERO N[C@H]1C=C(CCC(F)(F)Cl)C[NH2+]C1 ZINC000675078738 538516866 /nfs/dbraw/zinc/51/68/66/538516866.db2.gz RWUAZKAQDNVYKN-ZETCQYMHSA-N 1 0 210.655 1.455 10 0 BDAERO [NH3+][C@@H]1C=C(c2ccc(Cl)s2)CNC1 ZINC000675079404 538517854 /nfs/dbraw/zinc/51/78/54/538517854.db2.gz YIRSLBFIUOSNRE-SSDOTTSWSA-N 1 0 214.721 1.715 10 0 BDAERO O[C@H]1C=C(Cc2cccc(Cl)c2)C[NH2+]C1 ZINC000675077314 538512245 /nfs/dbraw/zinc/51/22/45/538512245.db2.gz LDIBXVRFNRBLHH-LBPRGKRZSA-N 1 0 223.703 1.773 10 0 BDAERO C[C@H]1CC(C2=C[C@H](O)C[NH2+]C2)C[C@H](C)C1 ZINC000675077245 538512738 /nfs/dbraw/zinc/51/27/38/538512738.db2.gz KFTUWTXLKQAZQH-BREBYQMCSA-N 1 0 209.333 1.949 10 0 BDAERO CC[C@](C)(C[NH3+])[C@H](O)c1cscn1 ZINC000127045765 538539453 /nfs/dbraw/zinc/53/94/53/538539453.db2.gz GJDYVOOIMCSFFD-RKDXNWHRSA-N 1 0 200.307 1.552 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@](O)(CC[NH3+])C1 ZINC000096985397 538617333 /nfs/dbraw/zinc/61/73/33/538617333.db2.gz UETKEVCPINNJQN-GFCCVEGCSA-N 1 0 244.335 1.097 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCN(CC)C1)[C@H]1CCOC1 ZINC000389515646 356889368 /nfs/dbraw/zinc/88/93/68/356889368.db2.gz FYEGWIZDWLBBLA-AVGNSLFASA-N 1 0 226.364 1.485 10 0 BDAERO C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000639847871 356845354 /nfs/dbraw/zinc/84/53/54/356845354.db2.gz CYILSHNUPVVYLH-VNHYZAJKSA-N 1 0 247.338 1.144 10 0 BDAERO C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000639847869 356845480 /nfs/dbraw/zinc/84/54/80/356845480.db2.gz CYILSHNUPVVYLH-KCQAQPDRSA-N 1 0 247.338 1.144 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000389531724 356969810 /nfs/dbraw/zinc/96/98/10/356969810.db2.gz INRYWCKOXZQXIW-FRRDWIJNSA-N 1 0 237.391 1.295 10 0 BDAERO CCOc1cncc(N[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389736332 357021967 /nfs/dbraw/zinc/02/19/67/357021967.db2.gz VCSWUWGEIPBQCQ-ZJUUUORDSA-N 1 0 236.319 1.285 10 0 BDAERO Cc1cc(C)nc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389729998 357022051 /nfs/dbraw/zinc/02/20/51/357022051.db2.gz ORMPYSLJUKCNPX-LDYMZIIASA-N 1 0 220.320 1.503 10 0 BDAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccnc2cccnc21 ZINC000389749376 357024778 /nfs/dbraw/zinc/02/47/78/357024778.db2.gz JGLFTJRSINWMFT-GXFFZTMASA-N 1 0 242.326 1.462 10 0 BDAERO O=C1CCCC[C@@H]1[N@@H+]1CCC[C@@H](CO)C1 ZINC000223750335 357041080 /nfs/dbraw/zinc/04/10/80/357041080.db2.gz NVQYRTDDRCYSBG-MNOVXSKESA-N 1 0 211.305 1.202 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])c1ccccc1Cl ZINC000258556763 538791306 /nfs/dbraw/zinc/79/13/06/538791306.db2.gz JSMFPETXZQXZQA-SECBINFHSA-N 1 0 227.691 1.945 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC[C@@H](C)O)C12CCC2 ZINC000390455641 357093490 /nfs/dbraw/zinc/09/34/90/357093490.db2.gz CPYVOWWSIVTQFP-WRWGMCAJSA-N 1 0 227.348 1.551 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)C[C@@H](C)OC ZINC000304531636 357167629 /nfs/dbraw/zinc/16/76/29/357167629.db2.gz BTUVKBYWHURXEO-NEPJUHHUSA-N 1 0 233.352 1.131 10 0 BDAERO Cc1ccsc1[C@@H]([NH3+])c1cnn(C)c1 ZINC000035381534 357211261 /nfs/dbraw/zinc/21/12/61/357211261.db2.gz QMKCWFDNTJYVMU-VIFPVBQESA-N 1 0 207.302 1.838 10 0 BDAERO CC(C)OC[C@H]1C[NH2+]CC(C)(C)CO1 ZINC000168783682 357232803 /nfs/dbraw/zinc/23/28/03/357232803.db2.gz MTWXDSZKPRAPTP-SNVBAGLBSA-N 1 0 201.310 1.426 10 0 BDAERO CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](OC)C1 ZINC000300042108 357176723 /nfs/dbraw/zinc/17/67/23/357176723.db2.gz NFDVMFDQXZDFEW-XQQFMLRXSA-N 1 0 226.364 1.628 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000393776145 357298677 /nfs/dbraw/zinc/29/86/77/357298677.db2.gz MULDBQIAPRFISJ-LBPRGKRZSA-N 1 0 227.348 1.696 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCC1CC(O)C1 ZINC000582726334 357373309 /nfs/dbraw/zinc/37/33/09/357373309.db2.gz XNOZMMPZWZANSE-VQXHTEKXSA-N 1 0 215.337 1.144 10 0 BDAERO CC(C)(C)[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000393982426 357313448 /nfs/dbraw/zinc/31/34/48/357313448.db2.gz RNDKMDIYKICLGS-GMTAPVOTSA-N 1 0 215.337 1.287 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230371620 357529623 /nfs/dbraw/zinc/52/96/23/357529623.db2.gz ACCDYNLZLVAMNT-CHWSQXEVSA-N 1 0 229.364 1.630 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)Nc1ccc(F)cc1F ZINC000063170757 357551994 /nfs/dbraw/zinc/55/19/94/357551994.db2.gz CXAGGLBETBCHJN-SSDOTTSWSA-N 1 0 243.257 1.824 10 0 BDAERO C[C@@H]([NH3+])CCNc1ncccc1Br ZINC000063171425 357552811 /nfs/dbraw/zinc/55/28/11/357552811.db2.gz VVHZXHYQXJXHAG-SSDOTTSWSA-N 1 0 244.136 1.993 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)O1 ZINC000188578472 357562698 /nfs/dbraw/zinc/56/26/98/357562698.db2.gz WNJWXPMZEYFWQE-MBNYWOFBSA-N 1 0 249.358 1.777 10 0 BDAERO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790360 357622356 /nfs/dbraw/zinc/62/23/56/357622356.db2.gz ACCLADJZNVHCNI-JHJVBQTASA-N 1 0 226.364 1.485 10 0 BDAERO N[C@@H]1C[NH2+]CC[C@H]1c1cccc2occc21 ZINC000685946566 538885660 /nfs/dbraw/zinc/88/56/60/538885660.db2.gz AWAJEHKMCVOQDG-CMPLNLGQSA-N 1 0 216.284 1.837 10 0 BDAERO C/C=C(\C)C(=O)N1CC[C@@H](CC)[C@@H]([NH3+])C1 ZINC000685939278 538886414 /nfs/dbraw/zinc/88/64/14/538886414.db2.gz XDVGIYOSGWNOKZ-BDMRALOESA-N 1 0 210.321 1.538 10 0 BDAERO CCOC(=O)[C@](C)(C[NH3+])c1ccc(F)cc1 ZINC000685945538 538887138 /nfs/dbraw/zinc/88/71/38/538887138.db2.gz QHSFBWNHNDASJL-GFCCVEGCSA-N 1 0 225.263 1.605 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@H]1c1cc(F)cc(F)c1 ZINC000685946341 538887993 /nfs/dbraw/zinc/88/79/93/538887993.db2.gz PQIGHBNGZSEQAQ-WDEREUQCSA-N 1 0 212.243 1.369 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000685947056 538888701 /nfs/dbraw/zinc/88/87/01/538888701.db2.gz ZSAIEFIAYQBLSM-OLZOCXBDSA-N 1 0 204.317 1.789 10 0 BDAERO CC(C)(C)NC(=O)NC1CCC(C)([NH3+])CC1 ZINC000685948139 538889995 /nfs/dbraw/zinc/88/99/95/538889995.db2.gz YRKFNPPJTPBLOV-UHFFFAOYSA-N 1 0 227.352 1.744 10 0 BDAERO OCC1CC[NH+]([C@@H]2CC[C@@H]3CC[C@H]32)CC1 ZINC000685948619 538890964 /nfs/dbraw/zinc/89/09/64/538890964.db2.gz RAASLUZFNJHZRD-YNEHKIRRSA-N 1 0 209.333 1.879 10 0 BDAERO CC(C)[NH+](C(C)C)[C@H]1CCNC[C@@H]1F ZINC000685948681 538891001 /nfs/dbraw/zinc/89/10/01/538891001.db2.gz TVDTXPOWZOBRGI-QWRGUYRKSA-N 1 0 202.317 1.805 10 0 BDAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CCC1)C2 ZINC000685948603 538891134 /nfs/dbraw/zinc/89/11/34/538891134.db2.gz CMLKXWKJGROTRB-GDPRMGEGSA-N 1 0 208.305 1.125 10 0 BDAERO CCNC(=O)c1nc([C@@H]2CCC[NH2+]2)sc1C ZINC000685948739 538891794 /nfs/dbraw/zinc/89/17/94/538891794.db2.gz DXPKZXYEZVGNRJ-QMMMGPOBSA-N 1 0 239.344 1.626 10 0 BDAERO CCC(C)(C)NC(=O)NC1CC(C[NH3+])C1 ZINC000685949511 538892283 /nfs/dbraw/zinc/89/22/83/538892283.db2.gz SJDUDESURJWCFE-UHFFFAOYSA-N 1 0 213.325 1.212 10 0 BDAERO O=C(N[C@@]12CC[NH2+][C@@H]1CCCC2)C1CCC1 ZINC000685949519 538892367 /nfs/dbraw/zinc/89/23/67/538892367.db2.gz STJQTCGHWSOOAY-YPMHNXCESA-N 1 0 222.332 1.577 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685949287 538892487 /nfs/dbraw/zinc/89/24/87/538892487.db2.gz OCJBEUMEAQHTPQ-ZWNOBZJWSA-N 1 0 224.348 1.905 10 0 BDAERO [NH3+][C@]12CCN(C(=O)C3CCC3)[C@H]1CCCC2 ZINC000685949171 538892542 /nfs/dbraw/zinc/89/25/42/538892542.db2.gz LCHNAMWUNGJBCI-WCQYABFASA-N 1 0 222.332 1.659 10 0 BDAERO CC(C)CC(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000685949580 538892854 /nfs/dbraw/zinc/89/28/54/538892854.db2.gz ULAIQIALHCUVCS-WCQYABFASA-N 1 0 224.348 1.905 10 0 BDAERO CC(C)C(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000685949893 538892874 /nfs/dbraw/zinc/89/28/74/538892874.db2.gz ZXLQOWHUHBMIMY-JQWIXIFHSA-N 1 0 210.321 1.433 10 0 BDAERO CCCNC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685949562 538892997 /nfs/dbraw/zinc/89/29/97/538892997.db2.gz UCAYQUSWOOGCFX-JQWIXIFHSA-N 1 0 225.336 1.452 10 0 BDAERO Clc1ccc(-c2cnnn2C2C[NH2+]C2)cc1 ZINC000685952842 538894313 /nfs/dbraw/zinc/89/43/13/538894313.db2.gz QPAGTTWMMLERHB-UHFFFAOYSA-N 1 0 234.690 1.743 10 0 BDAERO Fc1ccc(-c2cnnn2C2C[NH2+]C2)cc1 ZINC000685951467 538895502 /nfs/dbraw/zinc/89/55/02/538895502.db2.gz AETAEUCLAVNLFH-UHFFFAOYSA-N 1 0 218.235 1.229 10 0 BDAERO COCCCCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000234729293 357820642 /nfs/dbraw/zinc/82/06/42/357820642.db2.gz DRXKEMHGHRHBCZ-VXGBXAGGSA-N 1 0 242.363 1.307 10 0 BDAERO COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(C)o1 ZINC000234696174 357822716 /nfs/dbraw/zinc/82/27/16/357822716.db2.gz JGINEWINQCGPLN-NEPJUHHUSA-N 1 0 240.347 1.993 10 0 BDAERO CCCN(CC1CC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000193137118 357876186 /nfs/dbraw/zinc/87/61/86/357876186.db2.gz FQUJUUXGLZASFX-WDEREUQCSA-N 1 0 228.311 1.335 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000639939021 357945706 /nfs/dbraw/zinc/94/57/06/357945706.db2.gz UNKYPQKPKGLMJX-UPJWGTAASA-N 1 0 227.348 1.791 10 0 BDAERO C[C@@H]1C[C@H](O)CCN1CC[NH+]1CCCCC1 ZINC000639939390 357946253 /nfs/dbraw/zinc/94/62/53/357946253.db2.gz DDFDTIYETQIDQH-CHWSQXEVSA-N 1 0 226.364 1.318 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000639940823 357956851 /nfs/dbraw/zinc/95/68/51/357956851.db2.gz BWDAKNZSMJNNSG-ZWNOBZJWSA-N 1 0 248.326 1.131 10 0 BDAERO COC(C)(C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000170965451 134255767 /nfs/dbraw/zinc/25/57/67/134255767.db2.gz RBWXKMASHFSERD-NSHDSACASA-N 1 0 240.347 1.108 10 0 BDAERO CCn1ccnc1CN[C@@H]1CC[N@H+](CC)C1 ZINC000385422168 358140962 /nfs/dbraw/zinc/14/09/62/358140962.db2.gz BGEKFRJORGTFTH-LLVKDONJSA-N 1 0 222.336 1.087 10 0 BDAERO Cc1ncccc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399235178 491123344 /nfs/dbraw/zinc/12/33/44/491123344.db2.gz GJNCRQNZPNQERB-GXFFZTMASA-N 1 0 220.316 1.735 10 0 BDAERO C[C@H](C[C@H](C)[NH3+])Nc1ncnc2[nH]ccc21 ZINC000584781803 358177109 /nfs/dbraw/zinc/17/71/09/358177109.db2.gz QWHFQMRGALLIRN-JGVFFNPUSA-N 1 0 219.292 1.496 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000040630852 358244477 /nfs/dbraw/zinc/24/44/77/358244477.db2.gz NLIGQBHTCGILJB-CHWSQXEVSA-N 1 0 248.326 1.619 10 0 BDAERO CC(C)c1cc(N(C)CCC[NH3+])ncn1 ZINC000040765948 358245925 /nfs/dbraw/zinc/24/59/25/358245925.db2.gz LCITYBRYVIAHAB-UHFFFAOYSA-N 1 0 208.309 1.385 10 0 BDAERO CN(C)c1ccc([C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000584592978 358250879 /nfs/dbraw/zinc/25/08/79/358250879.db2.gz TYYAZSUPLWMFRS-YPMHNXCESA-N 1 0 202.301 1.614 10 0 BDAERO COc1cccc2c1[C@@H]1CC[C@H](O)[NH2+][C@H]1CC2 ZINC000584596743 358254468 /nfs/dbraw/zinc/25/44/68/358254468.db2.gz RRRYEDJMZRPDTM-MDZLAQPJSA-N 1 0 233.311 1.795 10 0 BDAERO O=C1OC[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000584604094 358262908 /nfs/dbraw/zinc/26/29/08/358262908.db2.gz MKRCGSMSMMUAOH-STQMWFEESA-N 1 0 231.295 1.682 10 0 BDAERO COc1ccc([C@@H]2OC(=O)C[C@H]2[NH3+])cc1 ZINC000584609202 358270663 /nfs/dbraw/zinc/27/06/63/358270663.db2.gz UQYDKVMLOMQJKC-KOLCDFICSA-N 1 0 207.229 1.011 10 0 BDAERO CC(C)=CCC[C@H](C)[NH+]1CCN(CCO)CC1 ZINC000584620581 358287594 /nfs/dbraw/zinc/28/75/94/358287594.db2.gz JQADYXRJDPMSSY-AWEZNQCLSA-N 1 0 240.391 1.731 10 0 BDAERO C[C@@]1(CO)CC[C@@H](CO)[N@@H+]1Cc1ccccc1 ZINC000584623845 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C[C@@H]1OCC[C@@H]1S[C@H]1CCC[C@@H]1[NH3+] ZINC000300338935 358963744 /nfs/dbraw/zinc/96/37/44/358963744.db2.gz TZZTWEMWMCGNSF-XKNYDFJKSA-N 1 0 201.335 1.777 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C2CCC2)C[S@](=O)C1 ZINC000306161894 358964875 /nfs/dbraw/zinc/96/48/75/358964875.db2.gz FCDYJTJYOOYWFZ-ZDSQKVDBSA-N 1 0 201.335 1.143 10 0 BDAERO C[C@@H]([NH3+])CC(=O)Nc1ncccc1Cl ZINC000306162459 358972388 /nfs/dbraw/zinc/97/23/88/358972388.db2.gz NZAARSCPVLATDR-ZCFIWIBFSA-N 1 0 213.668 1.411 10 0 BDAERO C[C@H]1SCC[C@H]1NC1=[NH+]CCCS1 ZINC000306150827 358925861 /nfs/dbraw/zinc/92/58/61/358925861.db2.gz GMQDKLYBEYYIOU-HTQZYQBOSA-N 1 0 216.375 1.963 10 0 BDAERO Cc1noc(C)c1CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041054 358930934 /nfs/dbraw/zinc/93/09/34/358930934.db2.gz UDBJDAPQGBXYSZ-UHFFFAOYSA-N 1 0 249.358 1.962 10 0 BDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C1CC1)CC2 ZINC000177311195 134299471 /nfs/dbraw/zinc/29/94/71/134299471.db2.gz MWHICSQLEBUDGM-MWLCHTKSSA-N 1 0 234.347 1.543 10 0 BDAERO CC(C)(C)OCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177775816 134299677 /nfs/dbraw/zinc/29/96/77/134299677.db2.gz GPZKUCHOURFLFM-CYBMUJFWSA-N 1 0 240.391 1.972 10 0 BDAERO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)C1CCCC1 ZINC000070305170 359048977 /nfs/dbraw/zinc/04/89/77/359048977.db2.gz QLKPJFQDOPQBHI-JTQLQIEISA-N 1 0 239.363 1.698 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](c2ncc(Cl)s2)O1 ZINC000306197150 359024964 /nfs/dbraw/zinc/02/49/64/359024964.db2.gz OFKGOUXYJNGDPO-NTSWFWBYSA-N 1 0 218.709 1.975 10 0 BDAERO Cc1nsc([C@]2(C[NH3+])CCCS2)n1 ZINC000306172662 358981894 /nfs/dbraw/zinc/98/18/94/358981894.db2.gz SYXRWEHEPRFYID-MRVPVSSYSA-N 1 0 215.347 1.528 10 0 BDAERO [NH3+]Cc1csc(Oc2cccnc2)n1 ZINC000306177646 358987798 /nfs/dbraw/zinc/98/77/98/358987798.db2.gz GGFAQDHYKYTORR-UHFFFAOYSA-N 1 0 207.258 1.789 10 0 BDAERO C[C@@H]1CCC[C@@](C[NH3+])(c2ncns2)C1 ZINC000306179895 358990788 /nfs/dbraw/zinc/99/07/88/358990788.db2.gz IWDUHDLDUKHUCP-PSASIEDQSA-N 1 0 211.334 1.945 10 0 BDAERO CC[C@@](C)([NH3+])c1nc(C(F)(F)F)no1 ZINC000130282490 359002600 /nfs/dbraw/zinc/00/26/00/359002600.db2.gz HUGCGVWGPIOGGC-ZCFIWIBFSA-N 1 0 209.171 1.672 10 0 BDAERO NC(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000071397638 181299625 /nfs/dbraw/zinc/29/96/25/181299625.db2.gz CCIFYNIQKDLLHH-SECBINFHSA-N 1 0 237.278 1.089 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CCCCO1 ZINC000246982338 359179896 /nfs/dbraw/zinc/17/98/96/359179896.db2.gz DYEBJABOBJAGFA-RDBSUJKOSA-N 1 0 238.375 1.724 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCCCO1 ZINC000246982296 359180187 /nfs/dbraw/zinc/18/01/87/359180187.db2.gz DYEBJABOBJAGFA-HZSPNIEDSA-N 1 0 238.375 1.724 10 0 BDAERO c1cn(CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)cn1 ZINC000246683797 359157331 /nfs/dbraw/zinc/15/73/31/359157331.db2.gz VZJIRAXQBIIDAD-OLZOCXBDSA-N 1 0 235.331 1.527 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc[nH]c1 ZINC000246839777 359169083 /nfs/dbraw/zinc/16/90/83/359169083.db2.gz BMFVRQOKOSORDO-OLZOCXBDSA-N 1 0 247.342 1.714 10 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/nfs/dbraw/zinc/58/60/71/361586071.db2.gz BZXCDJWTMPTCOO-NXEZZACHSA-N 1 0 200.326 1.094 10 0 BDAERO [NH3+]C1CCC(C(=O)OC2CCOCC2)CC1 ZINC000040992107 181341073 /nfs/dbraw/zinc/34/10/73/181341073.db2.gz OQVNECYMCUTHCQ-UHFFFAOYSA-N 1 0 227.304 1.226 10 0 BDAERO [NH3+]C1CCC(CCC(=O)N2CCOCC2)CC1 ZINC000055091898 181341781 /nfs/dbraw/zinc/34/17/81/181341781.db2.gz RTURFXXKKORQMN-UHFFFAOYSA-N 1 0 240.347 1.143 10 0 BDAERO CN(C(=O)OC(C)(C)C)C(C)(C)C[NH3+] ZINC000070626965 361666874 /nfs/dbraw/zinc/66/68/74/361666874.db2.gz HRJXSQKKUPZXNQ-UHFFFAOYSA-N 1 0 202.298 1.591 10 0 BDAERO [NH3+]C1CCC(Nc2ncccc2O)CC1 ZINC000095072124 181342454 /nfs/dbraw/zinc/34/24/54/181342454.db2.gz MEHZSQBYJVIZNF-UHFFFAOYSA-N 1 0 207.277 1.469 10 0 BDAERO CCCN(CCC)C(=O)C[NH2+][C@@H](C)COC ZINC000310016956 491160133 /nfs/dbraw/zinc/16/01/33/491160133.db2.gz LGTCPYWSVLQXMF-NSHDSACASA-N 1 0 230.352 1.260 10 0 BDAERO [NH3+]C1CCN(CC(=O)c2ccc(F)cc2)CC1 ZINC000050158289 181343853 /nfs/dbraw/zinc/34/38/53/181343853.db2.gz NZWBXPUVVIEYCV-UHFFFAOYSA-N 1 0 236.290 1.432 10 0 BDAERO CN(c1nc(C[NH3+])cs1)C1CCCC1 ZINC000070628788 361680845 /nfs/dbraw/zinc/68/08/45/361680845.db2.gz NWRSEMZKHQUJKE-UHFFFAOYSA-N 1 0 211.334 1.981 10 0 BDAERO Cc1c(Cl)cnn1C[C@@H]1CCC[NH2+]C1 ZINC000070630469 361684027 /nfs/dbraw/zinc/68/40/27/361684027.db2.gz ARHTZXBBVOUBGC-SECBINFHSA-N 1 0 213.712 1.845 10 0 BDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1nccs1 ZINC000040750575 181344499 /nfs/dbraw/zinc/34/44/99/181344499.db2.gz MUHHPRCQVPNULN-CBLAIPOGSA-N 1 0 209.318 1.602 10 0 BDAERO NC(=S)[C@H]1CCC[N@@H+]1Cc1cccs1 ZINC000070662030 361700438 /nfs/dbraw/zinc/70/04/38/361700438.db2.gz GVPOMPBJFCVKED-SECBINFHSA-N 1 0 226.370 1.999 10 0 BDAERO NC(=S)[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000070661926 361701028 /nfs/dbraw/zinc/70/10/28/361701028.db2.gz FAKWVICPBHPGQS-SNVBAGLBSA-N 1 0 212.362 1.927 10 0 BDAERO CCc1cnc(C[NH2+][C@H]2CCN(CC)C2)s1 ZINC000328154825 363852436 /nfs/dbraw/zinc/85/24/36/363852436.db2.gz FNLAXEHXAATNEB-JTQLQIEISA-N 1 0 239.388 1.889 10 0 BDAERO [NH3+]CC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000077333540 181349985 /nfs/dbraw/zinc/34/99/85/181349985.db2.gz MSSBPSSECBAOEI-SNVBAGLBSA-N 1 0 222.263 1.100 10 0 BDAERO [NH3+]CC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000077333542 181350143 /nfs/dbraw/zinc/35/01/43/181350143.db2.gz MSSBPSSECBAOEI-JTQLQIEISA-N 1 0 222.263 1.100 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CCn1ccc(N)n1 ZINC000234373696 541303588 /nfs/dbraw/zinc/30/35/88/541303588.db2.gz ZRTYUFIKQJXODS-JTQLQIEISA-N 1 0 208.309 1.340 10 0 BDAERO C[C@@H]1C[C@]2(CS1)[NH2+]CCc1nc[nH]c12 ZINC000307091796 541314741 /nfs/dbraw/zinc/31/47/41/541314741.db2.gz RECFAUPUEGORKG-GMSGAONNSA-N 1 0 209.318 1.276 10 0 BDAERO [NH3+]CC(=O)NCc1cccc(F)c1Cl ZINC000083348772 181353146 /nfs/dbraw/zinc/35/31/46/181353146.db2.gz LHSYYKNFFAQWJD-UHFFFAOYSA-N 1 0 216.643 1.054 10 0 BDAERO CO[C@H]1CN(CCCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356823 364077303 /nfs/dbraw/zinc/07/73/03/364077303.db2.gz BASGBNWXVAHBDQ-OLZOCXBDSA-N 1 0 244.379 1.240 10 0 BDAERO CO[C@H]1CN(CCOCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364655 364083287 /nfs/dbraw/zinc/08/32/87/364083287.db2.gz FXQGTXFHVLXLCB-CHWSQXEVSA-N 1 0 244.379 1.097 10 0 BDAERO CCOCCCNC(=O)C1CCC([NH3+])CC1 ZINC000037481806 364063239 /nfs/dbraw/zinc/06/32/39/364063239.db2.gz WGDLLTIHFKQJLR-UHFFFAOYSA-N 1 0 228.336 1.047 10 0 BDAERO CO[C@@H]1CN(C(=O)[C@@H](C)C(C)C)[C@@](C)(C[NH3+])C1 ZINC000630371396 364087434 /nfs/dbraw/zinc/08/74/34/364087434.db2.gz RXRTZOWSRAPDJI-GMXVVIOVSA-N 1 0 242.363 1.243 10 0 BDAERO CSc1ccnc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630387007 364101472 /nfs/dbraw/zinc/10/14/72/364101472.db2.gz DEIGIKMKWXTWKE-RKDXNWHRSA-N 1 0 238.360 1.230 10 0 BDAERO O=C(C1CC1)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263432 541336775 /nfs/dbraw/zinc/33/67/75/541336775.db2.gz GFWCFIMGTPPFIR-YDHLFZDLSA-N 1 0 248.370 1.777 10 0 BDAERO O=C(C1CC1)N1CC[C@@H]2CC[C@]21[C@H]1CCC[NH2+]C1 ZINC000725263593 541336826 /nfs/dbraw/zinc/33/68/26/541336826.db2.gz UGFMGFZONXPZOM-KCQAQPDRSA-N 1 0 248.370 1.777 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000725263653 541336927 /nfs/dbraw/zinc/33/69/27/541336927.db2.gz YRTABJYOZUIHPW-VXGBXAGGSA-N 1 0 241.379 1.720 10 0 BDAERO CC(C)NC(=O)[C@@H]([NH3+])Cc1coc2ccccc12 ZINC000725263605 541336346 /nfs/dbraw/zinc/33/63/46/541336346.db2.gz UPBLLFMOGRRISO-LBPRGKRZSA-N 1 0 246.310 1.827 10 0 BDAERO CC[C@H](C)C[NH2+]C[C@H](O)[C@@H]1COC(C)(C)O1 ZINC000725269802 541339133 /nfs/dbraw/zinc/33/91/33/541339133.db2.gz ZDGIOCKKAXHWFE-DCAQKATOSA-N 1 0 231.336 1.135 10 0 BDAERO CCCOc1nccnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC000630515136 364200918 /nfs/dbraw/zinc/20/09/18/364200918.db2.gz PJNQUCHCWOFHHW-VHSXEESVSA-N 1 0 236.319 1.049 10 0 BDAERO COc1cccnc1NCC1([NH3+])CCCC1 ZINC000630517555 364203276 /nfs/dbraw/zinc/20/32/76/364203276.db2.gz SHJCYRWPHVEHMR-UHFFFAOYSA-N 1 0 221.304 1.774 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccnc2cccnc21 ZINC000630525907 364214281 /nfs/dbraw/zinc/21/42/81/364214281.db2.gz CSVMEKXJNKPMDA-WDEREUQCSA-N 1 0 242.326 1.604 10 0 BDAERO CCc1csc(N(C)CCOCC[NH2+]C)n1 ZINC000630528595 364215700 /nfs/dbraw/zinc/21/57/00/364215700.db2.gz JUUHFDGKTPDZDP-UHFFFAOYSA-N 1 0 243.376 1.378 10 0 BDAERO [NH3+]CC1(C(=O)NC[C@H]2CCOC2)CCCCC1 ZINC000061146836 181358929 /nfs/dbraw/zinc/35/89/29/181358929.db2.gz RCVRYDNJATVOEX-LLVKDONJSA-N 1 0 240.347 1.048 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc2ccccc2n1 ZINC000630546763 364239962 /nfs/dbraw/zinc/23/99/62/364239962.db2.gz VMMMSEUCRAMBKC-CMPLNLGQSA-N 1 0 227.311 1.819 10 0 BDAERO [NH3+][C@@H]1CCCCCN(c2ncncc2Cl)C1 ZINC000630549500 364242867 /nfs/dbraw/zinc/24/28/67/364242867.db2.gz OLVYRSSWKRQUET-SECBINFHSA-N 1 0 240.738 1.838 10 0 BDAERO Cc1cc(C)nc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630549865 364243610 /nfs/dbraw/zinc/24/36/10/364243610.db2.gz QJWOXFXSLMYILM-GFCCVEGCSA-N 1 0 234.347 1.801 10 0 BDAERO [NH3+][C@H]1CCCCCN(c2ccccn2)C1 ZINC000630550757 364243716 /nfs/dbraw/zinc/24/37/16/364243716.db2.gz UCVYKURHINNHIM-NSHDSACASA-N 1 0 205.305 1.789 10 0 BDAERO [NH3+]CC1(NC(=O)NC2CCC2)CCCC1 ZINC000082641751 181360972 /nfs/dbraw/zinc/36/09/72/181360972.db2.gz DNCWYKNAMBOTPY-UHFFFAOYSA-N 1 0 211.309 1.110 10 0 BDAERO CCc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)nc(C)n1 ZINC000630552336 364246943 /nfs/dbraw/zinc/24/69/43/364246943.db2.gz CYAIBYQSEDVVPQ-KOLCDFICSA-N 1 0 234.347 1.378 10 0 BDAERO CC(C)c1nsc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630553089 364247655 /nfs/dbraw/zinc/24/76/55/364247655.db2.gz IDTQRLMHLGAWDZ-BDAKNGLRSA-N 1 0 240.376 1.693 10 0 BDAERO C[C@@H]1CN(c2ncncc2Cl)C[C@@H]1C[NH3+] ZINC000630552898 364247677 /nfs/dbraw/zinc/24/76/77/364247677.db2.gz HXNBSWQLTAARND-SFYZADRCSA-N 1 0 226.711 1.161 10 0 BDAERO C[C@@H]1CN(c2nc3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000630555010 364252779 /nfs/dbraw/zinc/25/27/79/364252779.db2.gz XZSFWANMSZWGMR-MNOVXSKESA-N 1 0 244.342 1.604 10 0 BDAERO C[C@H]1CN(c2nc3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000630555011 364253521 /nfs/dbraw/zinc/25/35/21/364253521.db2.gz XZSFWANMSZWGMR-QWRGUYRKSA-N 1 0 244.342 1.604 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1nc2ccccc2[nH]1 ZINC000630558282 364256836 /nfs/dbraw/zinc/25/68/36/364256836.db2.gz SULGJANQALTODA-IUCAKERBSA-N 1 0 216.288 1.489 10 0 BDAERO Cc1nccc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000630557271 364258689 /nfs/dbraw/zinc/25/86/89/364258689.db2.gz OLZRITJOWQJFIA-XYPYZODXSA-N 1 0 220.320 1.714 10 0 BDAERO [NH3+][C@@H](CCNc1ncccn1)Cc1ccccc1 ZINC000630565907 364263440 /nfs/dbraw/zinc/26/34/40/364263440.db2.gz BSQGTRIQUHPAHZ-ZDUSSCGKSA-N 1 0 242.326 1.849 10 0 BDAERO Cc1cc(C)nc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630566764 364263717 /nfs/dbraw/zinc/26/37/17/364263717.db2.gz GEXFCTCWBHFCQC-GZMMTYOYSA-N 1 0 220.320 1.124 10 0 BDAERO C[C@@H]1CN(c2ccc(Cl)cn2)C[C@H]1C[NH3+] ZINC000630568690 364264547 /nfs/dbraw/zinc/26/45/47/364264547.db2.gz INQVJMUAEDMZEO-RKDXNWHRSA-N 1 0 225.723 1.766 10 0 BDAERO C[C@@H]1CN(c2ncnc3ccsc32)C[C@@H]1C[NH3+] ZINC000630571757 364267373 /nfs/dbraw/zinc/26/73/73/364267373.db2.gz PLEDBJRFEBURKY-BDAKNGLRSA-N 1 0 248.355 1.722 10 0 BDAERO C[C@H]1CC[C@@H](Nc2ncc(Cl)cn2)C[NH2+]1 ZINC000630533821 364226918 /nfs/dbraw/zinc/22/69/18/364226918.db2.gz FWDZCMSPIVFAJC-IONNQARKSA-N 1 0 226.711 1.682 10 0 BDAERO Cc1cccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630534881 364230034 /nfs/dbraw/zinc/23/00/34/364230034.db2.gz QEPPCDHVFYTGKD-MWLCHTKSSA-N 1 0 205.305 1.942 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)nc1 ZINC000134242016 364396221 /nfs/dbraw/zinc/39/62/21/364396221.db2.gz BUPYWGZIRPANOI-CMPLNLGQSA-N 1 0 206.289 1.657 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)CC(F)(F)F)C1 ZINC000170855334 364531665 /nfs/dbraw/zinc/53/16/65/364531665.db2.gz YXCLVTHLKGIHBQ-ZETCQYMHSA-N 1 0 224.226 1.101 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCSC ZINC000246445286 364595183 /nfs/dbraw/zinc/59/51/83/364595183.db2.gz IFELVYPANAAOHZ-RYUDHWBXSA-N 1 0 228.405 1.908 10 0 BDAERO [NH3+]CCC(=O)c1ccc2[nH]ccc2c1F ZINC000082379032 181370418 /nfs/dbraw/zinc/37/04/18/181370418.db2.gz NUEOAJJNKHCGKQ-UHFFFAOYSA-N 1 0 206.220 1.839 10 0 BDAERO [NH3+]CCCC(=O)NCCC1=CCCCC1 ZINC000011755297 181371120 /nfs/dbraw/zinc/37/11/20/181371120.db2.gz HEWJXFPMMCHFEI-UHFFFAOYSA-N 1 0 210.321 1.732 10 0 BDAERO CCS(=O)(=O)[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C ZINC000081925978 541380948 /nfs/dbraw/zinc/38/09/48/541380948.db2.gz ITZQOHMXQUCZEU-UWVGGRQHSA-N 1 0 233.377 1.588 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000094325003 541382568 /nfs/dbraw/zinc/38/25/68/541382568.db2.gz JTDINKSPWFVDQX-QWHCGFSZSA-N 1 0 240.391 1.875 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000081941700 541383384 /nfs/dbraw/zinc/38/33/84/541383384.db2.gz GQFKJZDPPNLILE-VHSXEESVSA-N 1 0 233.377 1.717 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000573795530 364909490 /nfs/dbraw/zinc/90/94/90/364909490.db2.gz RNVJAJVTTSOLTI-MJBXVCDLSA-N 1 0 241.375 1.800 10 0 BDAERO CC(C)c1nsc(NCC(C)(C)[NH3+])n1 ZINC000168408690 364925923 /nfs/dbraw/zinc/92/59/23/364925923.db2.gz KZKCEWAKEWQACD-UHFFFAOYSA-N 1 0 214.338 1.811 10 0 BDAERO [NH3+]CCCCCc1nc(Cc2ccncc2)no1 ZINC000053129440 181375087 /nfs/dbraw/zinc/37/50/87/181375087.db2.gz BCLYEQWZRHAJPI-UHFFFAOYSA-N 1 0 246.314 1.727 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCC2(C[NH2+]C2)C1 ZINC000675053850 541433066 /nfs/dbraw/zinc/43/30/66/541433066.db2.gz ODKYBQTUHBKABS-JTQLQIEISA-N 1 0 225.336 1.036 10 0 BDAERO CCC(C)(C)NC(=O)N1CC2(C1)CC[NH2+]C2 ZINC000675053848 541433356 /nfs/dbraw/zinc/43/33/56/541433356.db2.gz NYSUNYJEERVMKT-UHFFFAOYSA-N 1 0 225.336 1.180 10 0 BDAERO CC(C)Nc1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000669380630 541437112 /nfs/dbraw/zinc/43/71/12/541437112.db2.gz STKXVBMDZKHSCC-ZDUSSCGKSA-N 1 0 219.332 1.741 10 0 BDAERO [NH3+]CCCNc1ccc2c(c1)OCCO2 ZINC000020232127 181383328 /nfs/dbraw/zinc/38/33/28/181383328.db2.gz FEZGOIVVIKZMNY-UHFFFAOYSA-N 1 0 208.261 1.219 10 0 BDAERO [NH3+]CCCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000036164254 181384507 /nfs/dbraw/zinc/38/45/07/181384507.db2.gz RAMRIAAIYPDVHG-UHFFFAOYSA-N 1 0 239.340 1.298 10 0 BDAERO [NH3+]CCCc1cncnc1C(F)(F)F ZINC000083285167 181386405 /nfs/dbraw/zinc/38/64/05/181386405.db2.gz YIDZQHDOUYJVEO-UHFFFAOYSA-N 1 0 205.183 1.387 10 0 BDAERO [NH3+]CCCc1nnc(-c2cccc(O)c2)o1 ZINC000050283712 181388223 /nfs/dbraw/zinc/38/82/23/181388223.db2.gz WKQZEFMZJBPOTK-UHFFFAOYSA-N 1 0 219.244 1.334 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccc(F)cc2F)o1 ZINC000050283550 181388715 /nfs/dbraw/zinc/38/87/15/181388715.db2.gz JVJKFMZYBWYGNF-UHFFFAOYSA-N 1 0 239.225 1.906 10 0 BDAERO [NH3+]CCCn1cnc2cc(F)c(F)cc21 ZINC000019408119 181389542 /nfs/dbraw/zinc/38/95/42/181389542.db2.gz PLLJISVZNZTGSF-UHFFFAOYSA-N 1 0 211.215 1.663 10 0 BDAERO [NH3+]CCNC(=O)Nc1ccc(Cl)cc1 ZINC000037902510 181394583 /nfs/dbraw/zinc/39/45/83/181394583.db2.gz PAWAPIJBQMDYGB-UHFFFAOYSA-N 1 0 213.668 1.420 10 0 BDAERO [NH3+]CCNCc1cc(Br)ccc1F ZINC000037712252 181396756 /nfs/dbraw/zinc/39/67/56/181396756.db2.gz SSZRIFDITUILHN-UHFFFAOYSA-N 1 0 247.111 1.637 10 0 BDAERO [NH3+]CCNCc1ccc(Br)s1 ZINC000037712563 181397458 /nfs/dbraw/zinc/39/74/58/181397458.db2.gz XEPNUTALTHKBTB-UHFFFAOYSA-N 1 0 235.150 1.559 10 0 BDAERO [NH3+]CCOc1c(F)cc(Cl)cc1F ZINC000083345265 181399071 /nfs/dbraw/zinc/39/90/71/181399071.db2.gz NGHVHVAEJXECBM-UHFFFAOYSA-N 1 0 207.607 1.956 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000082639421 181403656 /nfs/dbraw/zinc/40/36/56/181403656.db2.gz JCNDLGPDCZPNQZ-SECBINFHSA-N 1 0 203.644 1.861 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc2ccccc2n1 ZINC000083284085 181407569 /nfs/dbraw/zinc/40/75/69/181407569.db2.gz WLISLZNPYZPFDO-LBPRGKRZSA-N 1 0 202.257 1.617 10 0 BDAERO [NH3+]CCc1nc(-c2cc(F)ccc2F)c[nH]1 ZINC000036876320 181413252 /nfs/dbraw/zinc/41/32/52/181413252.db2.gz LKXWEHGWVPIQJY-UHFFFAOYSA-N 1 0 223.226 1.856 10 0 BDAERO [NH3+]CCc1nc2cc(Br)cnc2o1 ZINC000071485432 181413822 /nfs/dbraw/zinc/41/38/22/181413822.db2.gz SLDGSXJOEFNDII-UHFFFAOYSA-N 1 0 242.076 1.487 10 0 BDAERO [NH3+]CCc1nccc(-c2cccnc2)n1 ZINC000020397309 181414097 /nfs/dbraw/zinc/41/40/97/181414097.db2.gz SUNKEDZDSBYKGL-UHFFFAOYSA-N 1 0 200.245 1.040 10 0 BDAERO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCS[C@@H](C)C1 ZINC000171696944 365226839 /nfs/dbraw/zinc/22/68/39/365226839.db2.gz CQSMKGAVHVTGCG-UWVGGRQHSA-N 1 0 244.404 1.727 10 0 BDAERO [NH3+]C[C@@H](CO)c1ccc(Br)s1 ZINC000071546905 181418787 /nfs/dbraw/zinc/41/87/87/181418787.db2.gz REZWVZDUBUGLJF-YFKPBYRVSA-N 1 0 236.134 1.545 10 0 BDAERO Nc1cc(CC[NH3+])cc(C(F)(F)F)c1 ZINC000095764879 181411691 /nfs/dbraw/zinc/41/16/91/181411691.db2.gz RTNJHQNPUNDKNV-UHFFFAOYSA-N 1 0 204.195 1.789 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCOCC1CC1 ZINC000379905059 365508823 /nfs/dbraw/zinc/50/88/23/365508823.db2.gz JRGQMBJQHPJIRP-LLVKDONJSA-N 1 0 215.337 1.410 10 0 BDAERO CC[C@@H](C[NH3+])[C@H](O)c1cnc(C)s1 ZINC000233873983 541510276 /nfs/dbraw/zinc/51/02/76/541510276.db2.gz SLZCBOVSMSNGTE-CBAPKCEASA-N 1 0 200.307 1.470 10 0 BDAERO CCn1cc([C@H]2OCCC[C@H]2C[NH3+])cn1 ZINC000234258033 541511855 /nfs/dbraw/zinc/51/18/55/541511855.db2.gz DGQICGWXCWYOPS-ONGXEEELSA-N 1 0 209.293 1.329 10 0 BDAERO CCn1cc([C@@H]2OCCC[C@@H]2C[NH3+])cn1 ZINC000234222280 541512281 /nfs/dbraw/zinc/51/22/81/541512281.db2.gz DGQICGWXCWYOPS-MWLCHTKSSA-N 1 0 209.293 1.329 10 0 BDAERO CCC[C@H](C(=O)N(CC)CC(F)F)[NH+](C)C ZINC000185791621 367143648 /nfs/dbraw/zinc/14/36/48/367143648.db2.gz VIEYDUPUAABAAD-SECBINFHSA-N 1 0 236.306 1.830 10 0 BDAERO CC(C)c1nccnc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000580820248 367176242 /nfs/dbraw/zinc/17/62/42/367176242.db2.gz LRIBDSZJUOLDOB-LBPRGKRZSA-N 1 0 248.374 1.776 10 0 BDAERO CC(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000225477127 370819859 /nfs/dbraw/zinc/81/98/59/370819859.db2.gz CXDPAYHFBSDBRL-KBPBESRZSA-N 1 0 248.326 1.194 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C(C)(C)C1 ZINC000380550260 367240965 /nfs/dbraw/zinc/24/09/65/367240965.db2.gz ZUGFBPXMVBUIFA-HBNTYKKESA-N 1 0 224.348 1.489 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)[C@H]1C ZINC000380755054 367296094 /nfs/dbraw/zinc/29/60/94/367296094.db2.gz OBRSRZSQZQJNSU-JFGNBEQYSA-N 1 0 210.321 1.385 10 0 BDAERO Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[C@H]1CO ZINC000381354028 367386827 /nfs/dbraw/zinc/38/68/27/367386827.db2.gz BYKPOHSXXCRWPF-CMPLNLGQSA-N 1 0 223.320 1.243 10 0 BDAERO CC1CC(C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000381457378 367408771 /nfs/dbraw/zinc/40/87/71/367408771.db2.gz JSNKATDQJSZBSH-ILDUYXDCSA-N 1 0 210.321 1.372 10 0 BDAERO CCOc1cncc(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000381706875 367449308 /nfs/dbraw/zinc/44/93/08/367449308.db2.gz HXNOCCDRJGKUNK-YUMQZZPRSA-N 1 0 210.281 1.023 10 0 BDAERO Cc1cnc(N[C@H]2CC[C@@H](C[NH3+])C2)nc1C ZINC000382450117 367526388 /nfs/dbraw/zinc/52/63/88/367526388.db2.gz MJTMZNMBTIHWLI-MNOVXSKESA-N 1 0 220.320 1.633 10 0 BDAERO COc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)ncn1 ZINC000382549881 367537319 /nfs/dbraw/zinc/53/73/19/367537319.db2.gz ZZHFIROUPVYWOP-RKDXNWHRSA-N 1 0 222.292 1.025 10 0 BDAERO CC[C@H]([C@@H]1CCOC1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383496192 367628937 /nfs/dbraw/zinc/62/89/37/367628937.db2.gz XFHVYUUKQAQBNU-AAVRWANBSA-N 1 0 240.391 1.718 10 0 BDAERO Cc1nnsc1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000384186570 367673960 /nfs/dbraw/zinc/67/39/60/367673960.db2.gz SPLMTPBSADJCRM-WPRPVWTQSA-N 1 0 240.376 1.467 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1N1C(=O)CCCCC1=O ZINC000035676840 181431184 /nfs/dbraw/zinc/43/11/84/181431184.db2.gz SRKIGDNACOTIGY-UWVGGRQHSA-N 1 0 224.304 1.043 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384935482 367760454 /nfs/dbraw/zinc/76/04/54/367760454.db2.gz SYXONUZZWXQOOI-XQQFMLRXSA-N 1 0 245.363 1.009 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384935466 367760811 /nfs/dbraw/zinc/76/08/11/367760811.db2.gz SYXONUZZWXQOOI-UPJWGTAASA-N 1 0 245.363 1.009 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC2=CCCCC2)C1 ZINC000385152957 367802857 /nfs/dbraw/zinc/80/28/57/367802857.db2.gz KKEJCMNNMYBLFA-UONOGXRCSA-N 1 0 239.359 1.959 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1nc2ccccc2o1 ZINC000385198674 367808010 /nfs/dbraw/zinc/80/80/10/367808010.db2.gz PXPZMLKYHWCCAO-IUCAKERBSA-N 1 0 217.272 1.754 10 0 BDAERO OC1(C[NH2+]C[C@@H]2CCCS2)CCOCC1 ZINC000581879769 367865299 /nfs/dbraw/zinc/86/52/99/367865299.db2.gz YPPHXNYDWIBKBZ-JTQLQIEISA-N 1 0 231.361 1.013 10 0 BDAERO OC1(C[NH2+]C[C@H]2CCCS2)CCOCC1 ZINC000581879770 367865535 /nfs/dbraw/zinc/86/55/35/367865535.db2.gz YPPHXNYDWIBKBZ-SNVBAGLBSA-N 1 0 231.361 1.013 10 0 BDAERO CCN1CC[C@@H](C[NH3+])[C@H]1c1nccs1 ZINC000252776396 368061891 /nfs/dbraw/zinc/06/18/91/368061891.db2.gz XYBSUGHLHWQOEO-IUCAKERBSA-N 1 0 211.334 1.485 10 0 BDAERO C[C@H](O)[C@@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)C1 ZINC000252782345 368066044 /nfs/dbraw/zinc/06/60/44/368066044.db2.gz VOZHDLNMGFKKGS-AXFHLTTASA-N 1 0 211.305 1.201 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1Sc1ncnn1C ZINC000252810374 368158431 /nfs/dbraw/zinc/15/84/31/368158431.db2.gz NAMHQKLUJHSYCX-BWZBUEFSSA-N 1 0 212.322 1.033 10 0 BDAERO C[C@@H](CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C ZINC000399394230 368161489 /nfs/dbraw/zinc/16/14/89/368161489.db2.gz AGTQFEZLKGYARU-GRYCIOLGSA-N 1 0 240.391 1.983 10 0 BDAERO C[C@@H]1C[NH2+][C@](C)([C@H]2CCOC2)SC1 ZINC000252931604 368169327 /nfs/dbraw/zinc/16/93/27/368169327.db2.gz BJXXIMJBBSYJAF-UTLUCORTSA-N 1 0 201.335 1.712 10 0 BDAERO COC[C@H](C)NC1=[NH+][C@H](C)[C@H](C)CS1 ZINC000252960967 368171970 /nfs/dbraw/zinc/17/19/70/368171970.db2.gz UZYYWTNUMXZDLG-HRDYMLBCSA-N 1 0 216.350 1.738 10 0 BDAERO Fc1c(Cl)ccc2c1OCC[NH2+]C2 ZINC000130741112 368140727 /nfs/dbraw/zinc/14/07/27/368140727.db2.gz FHIGWYNSZXMQOZ-UHFFFAOYSA-N 1 0 201.628 1.961 10 0 BDAERO CN[C@@H](C[NH3+])c1ccc(Br)c(F)c1 ZINC000161388345 368141449 /nfs/dbraw/zinc/14/14/49/368141449.db2.gz ZUMWLCGNDNBBNM-VIFPVBQESA-N 1 0 247.111 1.807 10 0 BDAERO O=C1NCC[C@H]1CC[NH2+]C1(C2CCC2)CCC1 ZINC000566429650 326045649 /nfs/dbraw/zinc/04/56/49/326045649.db2.gz YGFXQRUFBAIQEG-NSHDSACASA-N 1 0 236.359 1.825 10 0 BDAERO CCCCN(C)c1ccc(C(N)=[NH2+])cn1 ZINC000019440996 168786637 /nfs/dbraw/zinc/78/66/37/168786637.db2.gz NWFXYSSGPBAFFL-UHFFFAOYSA-N 1 0 206.293 1.602 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])[C@H]1CCCCS1(=O)=O ZINC000253021655 368304020 /nfs/dbraw/zinc/30/40/20/368304020.db2.gz BWAODFLKHUWTFX-AEJSXWLSSA-N 1 0 219.350 1.327 10 0 BDAERO COC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000039018696 368328664 /nfs/dbraw/zinc/32/86/64/368328664.db2.gz RYHXCYDXSWMMJA-LLVKDONJSA-N 1 0 207.273 1.852 10 0 BDAERO O=[N+]([O-])c1cccc([C@@H]2C[C@H]3C[NH2+]C[C@H]32)c1 ZINC000144632913 368394118 /nfs/dbraw/zinc/39/41/18/368394118.db2.gz DPELSNFBACLHNP-ZMLRMANQSA-N 1 0 218.256 1.918 10 0 BDAERO CCCNC(=[NH2+])N1CCS[C@H](C)[C@H]1C ZINC000253062112 368442146 /nfs/dbraw/zinc/44/21/46/368442146.db2.gz FOVXYFHRNDMCLF-RKDXNWHRSA-N 1 0 215.366 1.747 10 0 BDAERO C[C@H](NC1=[NH+]C[C@@H](C)S1)[C@H]1CCOC1 ZINC000253062231 368445656 /nfs/dbraw/zinc/44/56/56/368445656.db2.gz FQXKYAGNTQBYOQ-VGMNWLOBSA-N 1 0 214.334 1.492 10 0 BDAERO CC[C@](C)([NH3+])CN1CCS[C@@H](C)[C@H]1C ZINC000253082045 368474262 /nfs/dbraw/zinc/47/42/62/368474262.db2.gz WVHZUMUUVYXTNU-VWYCJHECSA-N 1 0 216.394 1.940 10 0 BDAERO C[C@H]1C[C@](O)(c2ccccc2)CC[N@@H+]1C ZINC000107147034 368467116 /nfs/dbraw/zinc/46/71/16/368467116.db2.gz JKCKHCMERPFFSH-AAEUAGOBSA-N 1 0 205.301 1.988 10 0 BDAERO O=C(CC1C[NH2+]C1)OCc1ccccc1 ZINC000081738648 368617942 /nfs/dbraw/zinc/61/79/42/368617942.db2.gz DSTFLRJZIVCAQM-UHFFFAOYSA-N 1 0 205.257 1.339 10 0 BDAERO C[C@H](C[NH3+])Nc1ncnc2ccccc21 ZINC000082576151 368695200 /nfs/dbraw/zinc/69/52/00/368695200.db2.gz SBFFRYHKJNOKGL-MRVPVSSYSA-N 1 0 202.261 1.389 10 0 BDAERO CC[C@H]([NH3+])CNc1ncnc2ccccc21 ZINC000082579449 368695276 /nfs/dbraw/zinc/69/52/76/368695276.db2.gz NWXFYUVWQGQNGA-VIFPVBQESA-N 1 0 216.288 1.779 10 0 BDAERO CCN1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000308570088 326135594 /nfs/dbraw/zinc/13/55/94/326135594.db2.gz BRYRXRLHEPHYJF-JTQLQIEISA-N 1 0 200.301 1.562 10 0 BDAERO CC(C)c1nsc(N2CCC([NH3+])CC2)n1 ZINC000083669906 368802132 /nfs/dbraw/zinc/80/21/32/368802132.db2.gz GAHDAPPMBRBNCG-UHFFFAOYSA-N 1 0 226.349 1.589 10 0 BDAERO CC[NH2+]CCNc1ccc2nccnc2n1 ZINC000087201125 368890157 /nfs/dbraw/zinc/89/01/57/368890157.db2.gz ORGFZNZIQJUPMG-UHFFFAOYSA-N 1 0 217.276 1.046 10 0 BDAERO CC[C@H]1C[N@H+](C[C@H]2CCOC2)CCC1=O ZINC000253262029 368907384 /nfs/dbraw/zinc/90/73/84/368907384.db2.gz IJIXTHOKGUUEJL-MNOVXSKESA-N 1 0 211.305 1.324 10 0 BDAERO COc1cc(N2CC[C@@H]([NH+](C)C)C2)ccc1N ZINC000111056191 368846727 /nfs/dbraw/zinc/84/67/27/368846727.db2.gz DTZQHVIYPYAMKA-LLVKDONJSA-N 1 0 235.331 1.418 10 0 BDAERO CC[C@@H]1CS[C@]2(CC[NH2+]C[C@H]2C)N1 ZINC000253309903 368921749 /nfs/dbraw/zinc/92/17/49/368921749.db2.gz TWKRMKQMJBOARZ-BBBLOLIVSA-N 1 0 200.351 1.427 10 0 BDAERO O[C@@H](c1ccccc1)[C@H]1CCN2CCC[NH+]=C12 ZINC000114635255 368945307 /nfs/dbraw/zinc/94/53/07/368945307.db2.gz KGDFKJYYPRCAEH-OLZOCXBDSA-N 1 0 230.311 1.844 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC(C2CC2)C2CC2)C1 ZINC000091546081 369014444 /nfs/dbraw/zinc/01/44/44/369014444.db2.gz KGXXAKGOPJSJBN-VXGBXAGGSA-N 1 0 236.359 1.666 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CS1 ZINC000623766806 369031225 /nfs/dbraw/zinc/03/12/25/369031225.db2.gz MOKBYVNNJYNJHJ-YTWAJWBKSA-N 1 0 231.361 1.010 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1cccc(O)c1 ZINC000054686358 369087650 /nfs/dbraw/zinc/08/76/50/369087650.db2.gz HNXULIJRZDKYNQ-GJZGRUSLSA-N 1 0 243.306 1.996 10 0 BDAERO [NH3+]C[C@H]1CCCCC[C@@H]1Sc1nc[nH]n1 ZINC000035722918 181457090 /nfs/dbraw/zinc/45/70/90/181457090.db2.gz STCQWEQUNYGLGX-BDAKNGLRSA-N 1 0 226.349 1.804 10 0 BDAERO [NH3+]C[C@H](O)CCOc1cccc2ccccc21 ZINC000019668614 181448810 /nfs/dbraw/zinc/44/88/10/181448810.db2.gz MWRHUKPSMBUATK-GFCCVEGCSA-N 1 0 231.295 1.928 10 0 BDAERO [NH3+]C[C@H](O)CSc1ccc(F)cc1 ZINC000019686718 181449342 /nfs/dbraw/zinc/44/93/42/181449342.db2.gz ZRNZGYBMYPXTDY-QMMMGPOBSA-N 1 0 201.266 1.237 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1N1C(=O)CCCCC1=O ZINC000035676838 181462543 /nfs/dbraw/zinc/46/25/43/181462543.db2.gz SRKIGDNACOTIGY-ZJUUUORDSA-N 1 0 224.304 1.043 10 0 BDAERO [NH3+]Cc1cc(=O)[nH]c2ccc(Cl)cc12 ZINC000082640851 181474672 /nfs/dbraw/zinc/47/46/72/181474672.db2.gz MBZOVDFWTCQUTF-UHFFFAOYSA-N 1 0 208.648 1.640 10 0 in-vitro BDAERO CC(C)(C)C[NH2+][C@H]1CCCN(CCO)C1 ZINC000108072086 369374535 /nfs/dbraw/zinc/37/45/35/369374535.db2.gz AJHYVIGGYAEQGQ-NSHDSACASA-N 1 0 214.353 1.079 10 0 BDAERO CCCCC[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404191029 369422799 /nfs/dbraw/zinc/42/27/99/369422799.db2.gz HRAHLJVIXDKNLU-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO OCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)o1 ZINC000230664396 369453900 /nfs/dbraw/zinc/45/39/00/369453900.db2.gz RISCEIWMRBJBCZ-GXFFZTMASA-N 1 0 239.315 1.413 10 0 BDAERO [NH3+]Cc1ccc([C@H](O)Cn2ccnc2)cc1 ZINC000035727629 181486965 /nfs/dbraw/zinc/48/69/65/181486965.db2.gz SCOJAVWUAYCCIC-GFCCVEGCSA-N 1 0 217.272 1.075 10 0 BDAERO C[C@H](CNC(=O)N[C@H]1C[C@H]1C)C[NH+]1CCCC1 ZINC000076075408 370210914 /nfs/dbraw/zinc/21/09/14/370210914.db2.gz GVXLABRJTGMFOC-UTUOFQBUSA-N 1 0 239.363 1.426 10 0 BDAERO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)ccn1 ZINC000621300217 370229047 /nfs/dbraw/zinc/22/90/47/370229047.db2.gz BPPSUCWWMCMWSH-GWCFXTLKSA-N 1 0 220.316 1.593 10 0 BDAERO CCc1nc(CC[NH2+]C[C@@H]2CCSC2)no1 ZINC000309620182 370236345 /nfs/dbraw/zinc/23/63/45/370236345.db2.gz DYIXJQPSAJNCSO-VIFPVBQESA-N 1 0 241.360 1.517 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000076053628 370207891 /nfs/dbraw/zinc/20/78/91/370207891.db2.gz YELSEXBMXHSNRX-NWDGAFQWSA-N 1 0 239.363 1.570 10 0 BDAERO Cc1nccnc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000621328052 370259297 /nfs/dbraw/zinc/25/92/97/370259297.db2.gz DTXDVUXFNIXBGH-JQWIXIFHSA-N 1 0 221.304 1.442 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCC[C@H]1CC1(F)F ZINC000621670513 370420394 /nfs/dbraw/zinc/42/03/94/370420394.db2.gz PXXMVHVRQBWBGA-UWVGGRQHSA-N 1 0 246.301 1.538 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[C@H]1CC1(F)F ZINC000621670723 370420493 /nfs/dbraw/zinc/42/04/93/370420493.db2.gz WGCUVRSIPAOUQX-GUBZILKMSA-N 1 0 246.301 1.536 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[C@@H]1CC1(F)F ZINC000621670724 370420788 /nfs/dbraw/zinc/42/07/88/370420788.db2.gz WGCUVRSIPAOUQX-IVZWLZJFSA-N 1 0 246.301 1.536 10 0 BDAERO Fc1cccnc1O[C@@H]1C[NH2+]Cc2cccn2C1 ZINC000247500493 259545427 /nfs/dbraw/zinc/54/54/27/259545427.db2.gz FHKDMUBWPYHSID-LLVKDONJSA-N 1 0 247.273 1.573 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000623763856 371085979 /nfs/dbraw/zinc/08/59/79/371085979.db2.gz SNZSFWZPKACZEX-RYUDHWBXSA-N 1 0 243.253 1.204 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2SC)C1 ZINC000389853834 371178082 /nfs/dbraw/zinc/17/80/82/371178082.db2.gz ZJWHCXYBUMTQMD-NNYUYHANSA-N 1 0 228.405 1.810 10 0 BDAERO [NH3+][C@@H](CCc1nnc2n1CCC2)c1ccccc1 ZINC000037605134 181547053 /nfs/dbraw/zinc/54/70/53/181547053.db2.gz JRMZHBCAPJQTBR-LBPRGKRZSA-N 1 0 242.326 1.857 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)Cc1cccnc1 ZINC000054291929 181573489 /nfs/dbraw/zinc/57/34/89/181573489.db2.gz NPZCMGZUCTUQRH-NEPJUHHUSA-N 1 0 233.315 1.010 10 0 BDAERO N#Cc1csc(C[NH2+][C@H]2CCC[C@H](O)C2)n1 ZINC000390797493 371235696 /nfs/dbraw/zinc/23/56/96/371235696.db2.gz UDUUCDRTPWTFMC-WPRPVWTQSA-N 1 0 237.328 1.408 10 0 BDAERO [NH3+][C@H]1CCCCC[C@@H]1OC1CCOCC1 ZINC000048650791 181639738 /nfs/dbraw/zinc/63/97/38/181639738.db2.gz CMYFJWYYRRITRA-RYUDHWBXSA-N 1 0 213.321 1.842 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1OCC1CCOCC1 ZINC000052150412 181642399 /nfs/dbraw/zinc/64/23/99/181642399.db2.gz ZOISDRAIDCJJKN-NWDGAFQWSA-N 1 0 213.321 1.700 10 0 BDAERO [NH3+][C@H]1CCCN(Cc2ccc(Cl)nn2)C1 ZINC000095072371 181644675 /nfs/dbraw/zinc/64/46/75/181644675.db2.gz MKSWYMNTBWHSJL-QMMMGPOBSA-N 1 0 226.711 1.053 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1NC(=O)Cc1ccc(F)cc1 ZINC000063173011 181648403 /nfs/dbraw/zinc/64/84/03/181648403.db2.gz XWGCBHQWWXZRMY-NWDGAFQWSA-N 1 0 236.290 1.364 10 0 BDAERO Nc1c(C2CC[NH2+]CC2)cc2n1CCCC2 ZINC000100442585 181666655 /nfs/dbraw/zinc/66/66/55/181666655.db2.gz JUQZPUVSEZILFC-UHFFFAOYSA-N 1 0 219.332 1.874 10 0 BDAERO Cc1csc([C@@H](C)[NH2+]CC2CC(O)C2)n1 ZINC000624210304 371396672 /nfs/dbraw/zinc/39/66/72/371396672.db2.gz IETMSCFQVVOJJO-XNWIYYODSA-N 1 0 226.345 1.873 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccsc1 ZINC000624236220 371423471 /nfs/dbraw/zinc/42/34/71/371423471.db2.gz YZJWDJKMRWSVFU-GDPRMGEGSA-N 1 0 227.329 1.549 10 0 BDAERO CCCC[C@H](CC)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624235829 371423607 /nfs/dbraw/zinc/42/36/07/371423607.db2.gz QBMFKPDAXRJPPF-SRVKXCTJSA-N 1 0 215.337 1.695 10 0 BDAERO CC(C)C[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624236122 371423898 /nfs/dbraw/zinc/42/38/98/371423898.db2.gz WLPZRRIGPJJZIM-GARJFASQSA-N 1 0 201.310 1.160 10 0 BDAERO CCCC(CCC)[NH2+][C@H]1CCOC[C@H]1O ZINC000624235855 371424181 /nfs/dbraw/zinc/42/41/81/371424181.db2.gz QUGUKANJOUALNF-NWDGAFQWSA-N 1 0 215.337 1.695 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000624238422 371427632 /nfs/dbraw/zinc/42/76/32/371427632.db2.gz QWGQYVJWLCGMRQ-SDDRHHMPSA-N 1 0 237.299 1.396 10 0 BDAERO CSCC[C@H](C)N(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000156787779 371500425 /nfs/dbraw/zinc/50/04/25/371500425.db2.gz VXTYVEBLJUBWNT-WDEREUQCSA-N 1 0 246.420 1.960 10 0 BDAERO Nc1c[nH+]ccc1N(CCO)C1CCCC1 ZINC000042502171 181770099 /nfs/dbraw/zinc/77/00/99/181770099.db2.gz HGJHYSSPROLYFC-UHFFFAOYSA-N 1 0 221.304 1.405 10 0 BDAERO Nc1c[nH+]ccc1N(CCO)C1CCCCC1 ZINC000042501573 181770130 /nfs/dbraw/zinc/77/01/30/181770130.db2.gz KFQCXIMBIZQLRE-UHFFFAOYSA-N 1 0 235.331 1.795 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000126784998 371550641 /nfs/dbraw/zinc/55/06/41/371550641.db2.gz CIEDRVVPQFBVCC-YNEHKIRRSA-N 1 0 226.364 1.485 10 0 BDAERO Nc1cnccc1SC[C@H]1CCC[NH2+]C1 ZINC000043471852 181771365 /nfs/dbraw/zinc/77/13/65/181771365.db2.gz ZUCVGUJQCZWBIR-VIFPVBQESA-N 1 0 223.345 1.756 10 0 BDAERO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000215504480 371561968 /nfs/dbraw/zinc/56/19/68/371561968.db2.gz GINLVFREZSGMHJ-UWVGGRQHSA-N 1 0 228.336 1.899 10 0 BDAERO C[C@](O)(CC[NH3+])C(F)(F)Br ZINC000225681862 371565503 /nfs/dbraw/zinc/56/55/03/371565503.db2.gz ZFZAWEKHZAXGOK-BYPYZUCNSA-N 1 0 218.041 1.074 10 0 BDAERO Cc1cccc(NC(=O)C[NH3+])c1Br ZINC000131326829 371585519 /nfs/dbraw/zinc/58/55/19/371585519.db2.gz ZJNHEROZEYNEDJ-UHFFFAOYSA-N 1 0 243.104 1.655 10 0 BDAERO CCNC(=O)O[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000131756486 371667929 /nfs/dbraw/zinc/66/79/29/371667929.db2.gz XSPATETUUWAUPD-DTWKUNHWSA-N 1 0 200.282 1.393 10 0 BDAERO COc1ccc(CN(C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000226451292 371670864 /nfs/dbraw/zinc/67/08/64/371670864.db2.gz VCKQNVPDZPWMJJ-CYBMUJFWSA-N 1 0 249.358 1.664 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)c1cccnc1 ZINC000226476585 371672529 /nfs/dbraw/zinc/67/25/29/371672529.db2.gz YRYOBBXZKRTQHE-QWRGUYRKSA-N 1 0 204.273 1.782 10 0 BDAERO C/C=C/C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000230011999 371634109 /nfs/dbraw/zinc/63/41/09/371634109.db2.gz BAZCVWXWLCZZKW-FARCUNLSSA-N 1 0 232.327 1.940 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCC(C)(C)C1 ZINC000226660099 371718500 /nfs/dbraw/zinc/71/85/00/371718500.db2.gz ZPQQRYHCXCQIBZ-VHSXEESVSA-N 1 0 214.378 1.422 10 0 BDAERO Nc1nc2ccccc2nc1NC[C@H]1CCC[NH2+]1 ZINC000095072173 181794096 /nfs/dbraw/zinc/79/40/96/181794096.db2.gz MQVADHGYJIBUCO-SECBINFHSA-N 1 0 243.314 1.376 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)c1cncnc1 ZINC000226544767 371693145 /nfs/dbraw/zinc/69/31/45/371693145.db2.gz BKQIQTWJIOZOLN-WCBMZHEXSA-N 1 0 205.261 1.034 10 0 BDAERO [NH3+]CC1(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000226797174 371744794 /nfs/dbraw/zinc/74/47/94/371744794.db2.gz OUCUJCZTAULDNY-UHFFFAOYSA-N 1 0 211.211 1.886 10 0 BDAERO Cn1ccnc1C(=O)[C@]1(C)CCC[C@@H]1[NH3+] ZINC000226834442 371749703 /nfs/dbraw/zinc/74/97/03/371749703.db2.gz VNKFPRLLQBEKIC-GZMMTYOYSA-N 1 0 207.277 1.120 10 0 BDAERO Cn1cc(S[C@@H]2CCCC[NH2+]C2)cn1 ZINC000132157409 371757807 /nfs/dbraw/zinc/75/78/07/371757807.db2.gz IUAWLMRZBYJDAC-SECBINFHSA-N 1 0 211.334 1.654 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]2[C@@H](CCC2(C)C)[S@@]1=O ZINC000226952561 371759410 /nfs/dbraw/zinc/75/94/10/371759410.db2.gz HNSMDFLLUKPMBA-WBPNIITGSA-N 1 0 201.335 1.284 10 0 BDAERO c1cnc(S[C@H]2CCCC[NH2+]C2)cn1 ZINC000132170955 371760080 /nfs/dbraw/zinc/76/00/80/371760080.db2.gz CRWMIIUKDBFDPO-VIFPVBQESA-N 1 0 209.318 1.711 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1[S@@](=O)c1ccccc1 ZINC000226984115 371763484 /nfs/dbraw/zinc/76/34/84/371763484.db2.gz QYTRWDBGPDBWMI-SUNKGSAMSA-N 1 0 209.314 1.674 10 0 BDAERO CC[C@](C)(C[NH3+])[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000132311934 371792431 /nfs/dbraw/zinc/79/24/31/371792431.db2.gz ARJOZHQLOALTMG-HBNTYKKESA-N 1 0 216.394 1.940 10 0 BDAERO C[C@H]([NH3+])[C@@H](O)c1ccncc1Br ZINC000216547316 371766592 /nfs/dbraw/zinc/76/65/92/371766592.db2.gz IHVQYQXEVZACMA-YLWLKBPMSA-N 1 0 231.093 1.225 10 0 BDAERO CCC[C@H](C(=O)OCC)N1CC[C@H]([NH+](C)C)C1 ZINC000216565230 371770017 /nfs/dbraw/zinc/77/00/17/371770017.db2.gz YGTPKBGZVDRNTN-NWDGAFQWSA-N 1 0 242.363 1.354 10 0 BDAERO CC[C@@H]1CS[C@H]([C@@H]2CC[C@@H](C)O2)[NH2+]1 ZINC000227096384 371783655 /nfs/dbraw/zinc/78/36/55/371783655.db2.gz XALZUDQNTVWYKX-DOLQZWNJSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@H]1CSCCN1c1cc[nH+]c(N)c1 ZINC000227661477 371917845 /nfs/dbraw/zinc/91/78/45/371917845.db2.gz DBBHPEJOBWGMID-QMMMGPOBSA-N 1 0 209.318 1.606 10 0 BDAERO Nc1cc(NCc2cscn2)cc[nH+]1 ZINC000227661011 371918064 /nfs/dbraw/zinc/91/80/64/371918064.db2.gz JGGPDDAIXFWMEQ-UHFFFAOYSA-N 1 0 206.274 1.732 10 0 BDAERO Nc1c(Cl)sc2c1CC[C@H]([NH3+])C2 ZINC000132990296 371964312 /nfs/dbraw/zinc/96/43/12/371964312.db2.gz FQHJIHQCKQIVOH-BYPYZUCNSA-N 1 0 202.710 1.800 10 0 BDAERO CC[C@H]([NH3+])[C@@H](CO)OCc1ccccc1 ZINC000163287438 371966430 /nfs/dbraw/zinc/96/64/30/371966430.db2.gz DOWGDHGPKYVFEW-NWDGAFQWSA-N 1 0 209.289 1.301 10 0 BDAERO CC[C@@H]1CN(C[C@@H]2CCC[NH2+]2)CCS1 ZINC000133028593 371974317 /nfs/dbraw/zinc/97/43/17/371974317.db2.gz INXUJPYUDHLMIN-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO Cc1cnc(N2CC([NH3+])C2)c(Br)c1 ZINC000163493563 372003223 /nfs/dbraw/zinc/00/32/23/372003223.db2.gz DEVQWYQGHQHASG-UHFFFAOYSA-N 1 0 242.120 1.300 10 0 BDAERO COC[C@H](C)[C@@H](C[NH3+])NCc1ccccc1 ZINC000163446916 371995578 /nfs/dbraw/zinc/99/55/78/371995578.db2.gz QGHWMRIHVWXVMR-WCQYABFASA-N 1 0 222.332 1.386 10 0 BDAERO Cc1sccc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000306205792 372000020 /nfs/dbraw/zinc/00/00/20/372000020.db2.gz OZQHVAIQHNPHNU-LLVKDONJSA-N 1 0 210.346 1.850 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](C(=O)c2ccsc2C)C1 ZINC000227879789 371950833 /nfs/dbraw/zinc/95/08/33/371950833.db2.gz JSBTZTSOLJSDGZ-WPRPVWTQSA-N 1 0 225.313 1.616 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1c(F)cccc1Br ZINC000217904324 372026667 /nfs/dbraw/zinc/02/66/67/372026667.db2.gz FXHPJPBUJSKJHH-ANLVUFKYSA-N 1 0 248.095 1.969 10 0 BDAERO CC[C@H]([NH3+])CN1CCSC(C)(C)C1 ZINC000133348361 372027976 /nfs/dbraw/zinc/02/79/76/372027976.db2.gz YGGFCAWDIODKQA-VIFPVBQESA-N 1 0 202.367 1.551 10 0 BDAERO COC[C@H](C)[C@H](CO)[NH2+]Cc1ccccc1 ZINC000163676783 372030964 /nfs/dbraw/zinc/03/09/64/372030964.db2.gz HHZSHWZLFRZAGX-AAEUAGOBSA-N 1 0 223.316 1.420 10 0 BDAERO C[C@](O)(Cc1nccs1)[C@H]1CCC[NH2+]1 ZINC000306571376 372038706 /nfs/dbraw/zinc/03/87/06/372038706.db2.gz FYCLFJGPCBOBGC-SCZZXKLOSA-N 1 0 212.318 1.189 10 0 BDAERO C([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCSC1 ZINC000228555321 372047006 /nfs/dbraw/zinc/04/70/06/372047006.db2.gz WXOCJGMGMVHACD-MNOVXSKESA-N 1 0 214.378 1.471 10 0 BDAERO c1csc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000228573790 372049929 /nfs/dbraw/zinc/04/99/29/372049929.db2.gz HJSJOYYWWUIOGD-IUCAKERBSA-N 1 0 210.302 1.679 10 0 BDAERO C[C@H]([NH3+])[C@](C)(O)c1occc1Br ZINC000306278433 372006481 /nfs/dbraw/zinc/00/64/81/372006481.db2.gz PZOIYNJLJFJIJS-XNCJUZBTSA-N 1 0 234.093 1.597 10 0 BDAERO C[C@@H](C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=S ZINC000133254435 372012170 /nfs/dbraw/zinc/01/21/70/372012170.db2.gz QQVMAFPDUYOYNR-XHNCKOQMSA-N 1 0 216.350 1.018 10 0 BDAERO [NH3+]C1CC(Nc2cnn(Cc3ccccc3)c2)C1 ZINC000133255951 372012626 /nfs/dbraw/zinc/01/26/26/372012626.db2.gz CLEOCGCFAANPIS-UHFFFAOYSA-N 1 0 242.326 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AOMLMSIFIFPBIR-DCAQKATOSA-N 1 0 229.320 1.485 10 0 BDAERO OC[C@@H]1[NH2+]CCc2c(Cl)c(F)ccc21 ZINC000075792250 183131063 /nfs/dbraw/zinc/13/10/63/183131063.db2.gz PUUIDCGPVCLZHU-VIFPVBQESA-N 1 0 215.655 1.658 10 0 BDAERO CCCCn1cc(CCC[NH2+]CCOC)cn1 ZINC000054680545 169034820 /nfs/dbraw/zinc/03/48/20/169034820.db2.gz OTZWDBVQCHPEOK-UHFFFAOYSA-N 1 0 239.363 1.852 10 0 BDAERO OC[C@H]1C[N@H+](C[C@H]2Cc3ccccc32)CCO1 ZINC000250853511 183155564 /nfs/dbraw/zinc/15/55/64/183155564.db2.gz NRDPDWDBLUAPKU-CHWSQXEVSA-N 1 0 233.311 1.019 10 0 BDAERO OC[C@H]1[NH2+]CCc2cc(Cl)cc(F)c21 ZINC000075737016 183157041 /nfs/dbraw/zinc/15/70/41/183157041.db2.gz DVPKPDGZORGVAC-SECBINFHSA-N 1 0 215.655 1.658 10 0 BDAERO CCCN(C(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC000037470282 169044179 /nfs/dbraw/zinc/04/41/79/169044179.db2.gz HVCUOOYZUAUBDB-SECBINFHSA-N 1 0 200.282 1.217 10 0 BDAERO O[C@@H](C[NH2+][C@H]1CCN(C2CC2)C1)c1ccco1 ZINC000070141818 183180271 /nfs/dbraw/zinc/18/02/71/183180271.db2.gz AMLAXXLBHJIUDD-JQWIXIFHSA-N 1 0 236.315 1.139 10 0 BDAERO O[C@@H](C[NH2+][C@@H]1CCN(C2CC2)C1)c1ccco1 ZINC000070141816 183181161 /nfs/dbraw/zinc/18/11/61/183181161.db2.gz AMLAXXLBHJIUDD-PWSUYJOCSA-N 1 0 236.315 1.139 10 0 BDAERO OCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000009237350 183166473 /nfs/dbraw/zinc/16/64/73/183166473.db2.gz VQTVUGIHYCXTRL-UHFFFAOYSA-N 1 0 221.300 1.654 10 0 BDAERO O[C@@H](c1c[nH]c2ncccc12)[C@@H]1CCC[NH2+]C1 ZINC000036906393 183184646 /nfs/dbraw/zinc/18/46/46/183184646.db2.gz GPJYRKSCCQCENO-BXKDBHETSA-N 1 0 231.299 1.596 10 0 BDAERO OCc1cccc(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC000037508982 183168139 /nfs/dbraw/zinc/16/81/39/183168139.db2.gz DJRHMNCDYZNQQK-AWEZNQCLSA-N 1 0 232.327 1.685 10 0 BDAERO O[C@@H](CC1CCCC1)CN1CC(n2cccn2)C1 ZINC000364336950 183172811 /nfs/dbraw/zinc/17/28/11/183172811.db2.gz HXSMKYWOGDXTSB-AWEZNQCLSA-N 1 0 249.358 1.681 10 0 BDAERO CCCN(C)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055146801 169058366 /nfs/dbraw/zinc/05/83/66/169058366.db2.gz UQULKIPSZQOPNZ-WDEREUQCSA-N 1 0 212.337 1.620 10 0 BDAERO O[C@@H]1CC[NH2+][C@@H]1c1ccc(Cl)c(F)c1 ZINC000082370119 183200437 /nfs/dbraw/zinc/20/04/37/183200437.db2.gz ZVSYBVLVSBHNEG-NXEZZACHSA-N 1 0 215.655 1.874 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cscn1 ZINC000082992030 183188452 /nfs/dbraw/zinc/18/84/52/183188452.db2.gz SMOBYSRHQLXOJX-MWLCHTKSSA-N 1 0 226.345 1.784 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000037871599 183189670 /nfs/dbraw/zinc/18/96/70/183189670.db2.gz JJMDFHJZSAMOSW-QWHCGFSZSA-N 1 0 220.316 1.517 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000037690196 183195796 /nfs/dbraw/zinc/19/57/96/183195796.db2.gz YRCKTERWFGNNBI-QWHCGFSZSA-N 1 0 223.291 1.871 10 0 BDAERO O[C@H](CCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000041214215 183220683 /nfs/dbraw/zinc/22/06/83/183220683.db2.gz QZIGHWOKYXPGMR-CHWSQXEVSA-N 1 0 205.301 1.732 10 0 BDAERO O[C@H](C[NH2+]Cc1ccco1)c1ccncc1 ZINC000032013257 183224567 /nfs/dbraw/zinc/22/45/67/183224567.db2.gz PUOFFRWIOJEMNR-GFCCVEGCSA-N 1 0 218.256 1.498 10 0 BDAERO O[C@H](COCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000026263749 183225947 /nfs/dbraw/zinc/22/59/47/183225947.db2.gz DCJOWWMUIMVZHV-ZIAGYGMSSA-N 1 0 235.327 1.706 10 0 BDAERO CCCN(C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226431 169088643 /nfs/dbraw/zinc/08/86/43/169088643.db2.gz VILUGXIUAPHXBI-LLVKDONJSA-N 1 0 236.315 1.757 10 0 BDAERO O[C@H]1[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000100645497 183212847 /nfs/dbraw/zinc/21/28/47/183212847.db2.gz NERPUNDHAOPKPP-ITGUQSILSA-N 1 0 203.285 1.499 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000049575088 183231930 /nfs/dbraw/zinc/23/19/30/183231930.db2.gz MWVJBBIPPPNWED-KGLIPLIRSA-N 1 0 240.391 1.756 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000037690193 183238061 /nfs/dbraw/zinc/23/80/61/183238061.db2.gz YRCKTERWFGNNBI-OLZOCXBDSA-N 1 0 223.291 1.871 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000037490217 183238188 /nfs/dbraw/zinc/23/81/88/183238188.db2.gz YPKCDAAHIWQBFJ-OLZOCXBDSA-N 1 0 223.291 1.871 10 0 BDAERO O[C@H]1CC[NH2+][C@@H]1c1ccccc1Br ZINC000096987600 183241436 /nfs/dbraw/zinc/24/14/36/183241436.db2.gz OILYTLRIBGHLBR-VHSXEESVSA-N 1 0 242.116 1.844 10 0 BDAERO O[C@H]1CCC[NH2+][C@H]1Cc1ccc(F)cc1 ZINC000076642367 183235800 /nfs/dbraw/zinc/23/58/00/183235800.db2.gz CNLFCDIEZZLAFJ-RYUDHWBXSA-N 1 0 209.264 1.481 10 0 BDAERO Oc1ccc(C[NH2+]CCc2c[nH]cn2)cc1F ZINC000083362118 183270416 /nfs/dbraw/zinc/27/04/16/183270416.db2.gz IUJIBOAVRBBNAP-UHFFFAOYSA-N 1 0 235.262 1.587 10 0 BDAERO Oc1ccc2c(c1)OC1(CC[NH2+]CC1)CC2 ZINC000036141540 183280439 /nfs/dbraw/zinc/28/04/39/183280439.db2.gz XBSZPSIEFHKZLD-UHFFFAOYSA-N 1 0 219.284 1.839 10 0 BDAERO O=c1cc(C(F)(F)F)nc([C@@H]2CCC[NH2+]C2)[nH]1 ZINC000071396362 183257348 /nfs/dbraw/zinc/25/73/48/183257348.db2.gz VKJOQJFTXLLTPI-ZCFIWIBFSA-N 1 0 247.220 1.668 10 0 BDAERO Oc1cccnc1OCCC[C@H]1CCC[NH2+]C1 ZINC000095073859 183305595 /nfs/dbraw/zinc/30/55/95/183305595.db2.gz NOFILNKQEAHJII-LLVKDONJSA-N 1 0 236.315 1.946 10 0 BDAERO Oc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1COCCO1 ZINC000038060839 183296939 /nfs/dbraw/zinc/29/69/39/183296939.db2.gz DGYIRPVJFAYGPX-ZWNOBZJWSA-N 1 0 249.310 1.385 10 0 BDAERO CCCN(CCO)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000042906518 169166384 /nfs/dbraw/zinc/16/63/84/169166384.db2.gz OQCUGKSIUZGWBE-CQSZACIVSA-N 1 0 236.359 1.699 10 0 BDAERO Oc1ccccc1OC[C@@H]1[NH2+]CCS1 ZINC000027562864 183304090 /nfs/dbraw/zinc/30/40/90/183304090.db2.gz OHRVIKONBLIBJX-SNVBAGLBSA-N 1 0 211.286 1.434 10 0 BDAERO CCC[NH+]1CCC(N[C@H](C)c2cc[nH]n2)CC1 ZINC000037906950 169189379 /nfs/dbraw/zinc/18/93/79/169189379.db2.gz OHRNWQWGUMCMHC-LLVKDONJSA-N 1 0 236.363 1.935 10 0 BDAERO CCC[NH+]1CCC(Nc2ccc(N)cn2)CC1 ZINC000049554977 169190354 /nfs/dbraw/zinc/19/03/54/169190354.db2.gz VXVNFXAVGCZTOS-UHFFFAOYSA-N 1 0 234.347 1.950 10 0 BDAERO CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)C(=O)[O-])CC1 ZINC000049355996 169191837 /nfs/dbraw/zinc/19/18/37/169191837.db2.gz KSIKSXSSYZQQNL-MNOVXSKESA-N 1 0 242.363 1.560 10 0 BDAERO CCC[N@@H+]1CCCN(c2cncc(C)n2)CC1 ZINC000302226844 169192679 /nfs/dbraw/zinc/19/26/79/169192679.db2.gz PYCTXLMPZVXDMI-UHFFFAOYSA-N 1 0 234.347 1.707 10 0 BDAERO CCC[NH+]1CCN(Cc2ccccc2N)CC1 ZINC000019266973 169203869 /nfs/dbraw/zinc/20/38/69/169203869.db2.gz VSNFGFCPCBNTOY-UHFFFAOYSA-N 1 0 233.359 1.796 10 0 BDAERO CCCNC(=O)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309443049 169228736 /nfs/dbraw/zinc/22/87/36/169228736.db2.gz IZWJVMBEXDUUEB-MNOVXSKESA-N 1 0 230.327 1.631 10 0 BDAERO CCCNC(=O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000036852808 169229804 /nfs/dbraw/zinc/22/98/04/169229804.db2.gz RXIACDHRQQNBLC-LBPRGKRZSA-N 1 0 248.326 1.495 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1ccccc1F ZINC000057529376 169232691 /nfs/dbraw/zinc/23/26/91/169232691.db2.gz YWVJAVSAXYJXBR-JTQLQIEISA-N 1 0 238.306 1.784 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1cccnc1 ZINC000076610680 169232863 /nfs/dbraw/zinc/23/28/63/169232863.db2.gz QDHWIPJIJOYQSU-NSHDSACASA-N 1 0 221.304 1.040 10 0 BDAERO c1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c[nH]1 ZINC000128420647 183347128 /nfs/dbraw/zinc/34/71/28/183347128.db2.gz BMOBNLMHCBCDEI-NWDGAFQWSA-N 1 0 205.305 1.199 10 0 BDAERO CCCNC(=[NH2+])N1CCOc2ccccc2C1 ZINC000063013405 169211436 /nfs/dbraw/zinc/21/14/36/169211436.db2.gz ZSFOZGZRISVNLM-UHFFFAOYSA-N 1 0 233.315 1.815 10 0 BDAERO CCC[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@@H]1C ZINC000003797562 169211551 /nfs/dbraw/zinc/21/15/51/169211551.db2.gz RMWFDGMVDKRISB-JTQLQIEISA-N 1 0 245.326 1.944 10 0 BDAERO c1cc(N2CCCC2)nc(NC2CC[NH2+]CC2)n1 ZINC000045948338 183356319 /nfs/dbraw/zinc/35/63/19/183356319.db2.gz XACRJLKBZRXNOR-UHFFFAOYSA-N 1 0 247.346 1.241 10 0 BDAERO c1cc2cnccc2c(OC2C[NH2+]C2)c1 ZINC000039090665 183358615 /nfs/dbraw/zinc/35/86/15/183358615.db2.gz ZSRJOTNQPULKAQ-UHFFFAOYSA-N 1 0 200.241 1.585 10 0 BDAERO c1cc2nc([C@H]3CCC[NH2+]C3)nc-2c[nH]1 ZINC000019763590 183363685 /nfs/dbraw/zinc/36/36/85/183363685.db2.gz OSMUFNSQALRRIF-QMMMGPOBSA-N 1 0 202.261 1.425 10 0 BDAERO c1cc2c(cccc2[C@H]2C[NH2+]CCO2)[nH]1 ZINC000033886272 183364206 /nfs/dbraw/zinc/36/42/06/183364206.db2.gz LARJZGPFPXHZBE-GFCCVEGCSA-N 1 0 202.257 1.829 10 0 BDAERO CCC[NH2+]C1CCN(c2cnn(C)c2)CC1 ZINC000035737984 169255570 /nfs/dbraw/zinc/25/55/70/169255570.db2.gz JIQILZFOKQVZCR-UHFFFAOYSA-N 1 0 222.336 1.389 10 0 BDAERO c1cc2c(c([C@@H]3C[NH2+]CCO3)c1)CCN2 ZINC000033886269 183366663 /nfs/dbraw/zinc/36/66/63/183366663.db2.gz VFKFKBOMPDBEAR-LBPRGKRZSA-N 1 0 204.273 1.316 10 0 BDAERO CCC[NH2+]CCN(C)c1cc(C)cc2ncnn21 ZINC000053692092 169257989 /nfs/dbraw/zinc/25/79/89/169257989.db2.gz YRCSHXPKODALQZ-UHFFFAOYSA-N 1 0 247.346 1.474 10 0 BDAERO c1cc(CNC[C@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000041262967 183368235 /nfs/dbraw/zinc/36/82/35/183368235.db2.gz UPVKYKOQQRLVKQ-LLVKDONJSA-N 1 0 234.299 1.257 10 0 BDAERO c1cc2c(cc1NC[C@H]1CCC[NH2+]C1)OCCO2 ZINC000041301131 183368920 /nfs/dbraw/zinc/36/89/20/183368920.db2.gz KFGXZIZDOZMCFV-NSHDSACASA-N 1 0 248.326 1.869 10 0 BDAERO c1cc(OCCC[NH2+]C2CC2)cc2c1OCO2 ZINC000020525444 183370684 /nfs/dbraw/zinc/37/06/84/183370684.db2.gz OEUGXQMVDLURKH-UHFFFAOYSA-N 1 0 235.283 1.936 10 0 BDAERO c1cc2c(ncc3ncn(C4CC[NH2+]CC4)c32)[nH]1 ZINC000095571888 183371525 /nfs/dbraw/zinc/37/15/25/183371525.db2.gz VTICMARMQUNXBS-UHFFFAOYSA-N 1 0 241.298 1.837 10 0 in-vitro BDAERO CCC[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000032014544 169262473 /nfs/dbraw/zinc/26/24/73/169262473.db2.gz XHIJSBYBYWWOIS-GFCCVEGCSA-N 1 0 223.316 1.734 10 0 BDAERO c1cc2n(c1)CC[NH2+][C@H]2c1ccc2c(c1)OCO2 ZINC000032500409 183377283 /nfs/dbraw/zinc/37/72/83/183377283.db2.gz MHZSZENHTUFBCW-AWEZNQCLSA-N 1 0 242.278 1.909 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1cccs1 ZINC000076612199 169243983 /nfs/dbraw/zinc/24/39/83/169243983.db2.gz CQRDPYOFBJYVHI-VIFPVBQESA-N 1 0 226.345 1.707 10 0 BDAERO CCCNC(=O)[C@H](C)N1Cc2ccccc2C1=[NH2+] ZINC000049217115 169246537 /nfs/dbraw/zinc/24/65/37/169246537.db2.gz XMZBDNLNORNXNT-JTQLQIEISA-N 1 0 245.326 1.742 10 0 BDAERO CCCNC(=O)[C@H](CC[NH3+])c1cccnc1 ZINC000076610643 169248189 /nfs/dbraw/zinc/24/81/89/169248189.db2.gz PFFVXEMPDKBCKL-LLVKDONJSA-N 1 0 221.304 1.040 10 0 BDAERO CCC[NH2+][C@@H]1Cc2cccc3[nH]c(=O)n(c32)C1 ZINC000003785751 169284347 /nfs/dbraw/zinc/28/43/47/169284347.db2.gz XTWUNLMHXDDOMD-SNVBAGLBSA-N 1 0 231.299 1.254 10 0 BDAERO CCC[NH2+][C@H](C(N)=O)c1ccc(OCC)cc1 ZINC000037870250 169285169 /nfs/dbraw/zinc/28/51/69/169285169.db2.gz IQBZWTOMPQKRKK-LBPRGKRZSA-N 1 0 236.315 1.611 10 0 BDAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1CC(C)(C)O ZINC000104407833 169287506 /nfs/dbraw/zinc/28/75/06/169287506.db2.gz PNEKZLJGUHRLJJ-CHWSQXEVSA-N 1 0 242.407 2.000 10 0 BDAERO CCC[NH2+][C@H](C)c1nnc([C@H]2COCCO2)o1 ZINC000055305950 169288104 /nfs/dbraw/zinc/28/81/04/169288104.db2.gz FIYLTJBCMDBVNF-RKDXNWHRSA-N 1 0 241.291 1.218 10 0 BDAERO CCC[NH2+]C[C@@]1(C[C@@H]2CCCO2)CCOC1 ZINC000054664745 169263310 /nfs/dbraw/zinc/26/33/10/169263310.db2.gz VPGJKFOWKPTNIA-STQMWFEESA-N 1 0 227.348 1.962 10 0 BDAERO CCC[NH2+]Cc1cc(CN(C)CCOC)on1 ZINC000052572838 169265996 /nfs/dbraw/zinc/26/59/96/169265996.db2.gz GXCOSKSJCIFNPX-UHFFFAOYSA-N 1 0 241.335 1.252 10 0 BDAERO CCC[NH2+]Cc1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000034657819 169267918 /nfs/dbraw/zinc/26/79/18/169267918.db2.gz WSPDEOYUTDUNEX-JTQLQIEISA-N 1 0 236.315 1.439 10 0 BDAERO CCC[NH2+]Cc1nnnn1-c1ccc(F)cc1 ZINC000054744763 169268881 /nfs/dbraw/zinc/26/88/81/169268881.db2.gz ZIMOMGSJGBEIKX-UHFFFAOYSA-N 1 0 235.266 1.301 10 0 BDAERO CCC[NH2+][C@@H](C(N)=O)c1ccccc1OCC ZINC000037870223 169273658 /nfs/dbraw/zinc/27/36/58/169273658.db2.gz POTYQWWHNYXKIE-GFCCVEGCSA-N 1 0 236.315 1.611 10 0 BDAERO CCC[NH2+][C@@H]1CCN(CCc2ccncc2)C1 ZINC000048262482 169281600 /nfs/dbraw/zinc/28/16/00/169281600.db2.gz KNKNZDVFEVBHIC-CQSZACIVSA-N 1 0 233.359 1.698 10 0 BDAERO CCC[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000049647785 169282885 /nfs/dbraw/zinc/28/28/85/169282885.db2.gz GFUOZJTYQANLTK-GFCCVEGCSA-N 1 0 218.300 1.792 10 0 BDAERO CCCOCCC(=O)NC[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000054434685 169309262 /nfs/dbraw/zinc/30/92/62/169309262.db2.gz BXRVKGRTBDSGNF-VXGBXAGGSA-N 1 0 242.363 1.450 10 0 BDAERO CCCOCCOC[C@@H]1CC[C@H](C[NH2+]CC)O1 ZINC000104239411 169309443 /nfs/dbraw/zinc/30/94/43/169309443.db2.gz OHWYFPZEBJYAEP-OLZOCXBDSA-N 1 0 245.363 1.587 10 0 BDAERO CCCOc1c(C)ncc(CO)c1C[NH3+] ZINC000034610223 169313337 /nfs/dbraw/zinc/31/33/37/169313337.db2.gz JPACOYCQVLVZTG-UHFFFAOYSA-N 1 0 210.277 1.130 10 0 BDAERO CCC[NH2+][C@H]1CCOC[C@@H]1n1cnc(C)c1C ZINC000051926621 169291454 /nfs/dbraw/zinc/29/14/54/169291454.db2.gz FBNGDGURXUQTOG-STQMWFEESA-N 1 0 237.347 1.830 10 0 BDAERO CCC[NH2+][C@H]1CCN(Cc2cccc(C)n2)C1 ZINC000051576601 169291527 /nfs/dbraw/zinc/29/15/27/169291527.db2.gz FYUMSNIKHPZXMA-ZDUSSCGKSA-N 1 0 233.359 1.964 10 0 BDAERO CCC[NH2+][C@H]1CCN(C[C@H]2CCCCO2)C1=O ZINC000042821731 169291852 /nfs/dbraw/zinc/29/18/52/169291852.db2.gz MTUVYKFCZXGULO-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO c1ccc2nc(O[C@@H]3CC[NH2+]C3)cnc2c1 ZINC000035090179 183460237 /nfs/dbraw/zinc/46/02/37/183460237.db2.gz KCNRIVPBPIRPBV-SECBINFHSA-N 1 0 215.256 1.371 10 0 BDAERO CCCOc1ccccc1[C@@H](O)C[NH2+]C ZINC000032012252 169327577 /nfs/dbraw/zinc/32/75/77/169327577.db2.gz URDNMBYUBOPROU-NSHDSACASA-N 1 0 209.289 1.728 10 0 BDAERO CCCS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000058261466 169329969 /nfs/dbraw/zinc/32/99/69/169329969.db2.gz FXWRLQATYGQESA-UHFFFAOYSA-N 1 0 227.329 1.470 10 0 BDAERO c1ccc2c(c1)C[NH2+]CC21CCOCC1 ZINC000019789209 183447615 /nfs/dbraw/zinc/44/76/15/183447615.db2.gz MFUZCZGCPZPDQE-UHFFFAOYSA-N 1 0 203.285 1.838 10 0 BDAERO c1cnc(SCC2CC[NH2+]CC2)cn1 ZINC000082433472 183482515 /nfs/dbraw/zinc/48/25/15/183482515.db2.gz BADCESGMHSRHDB-UHFFFAOYSA-N 1 0 209.318 1.568 10 0 BDAERO CCC[C@@H](C)[N@H+](C)[C@]1(CN)CN2CCC1CC2 ZINC000036790392 169366483 /nfs/dbraw/zinc/36/64/83/169366483.db2.gz YKNQDFJHLPTUAH-TZMCWYRMSA-N 1 0 239.407 1.530 10 0 BDAERO c1[nH]c2ncccc2c1C[C@@H]1CCC[NH2+]1 ZINC000013912517 183484820 /nfs/dbraw/zinc/48/48/20/183484820.db2.gz XVMDQOVXVIBOKY-JTQLQIEISA-N 1 0 201.273 1.857 10 0 BDAERO CCC[C@@H](C(=O)NCc1ccoc1)[NH+](C)C ZINC000179100828 169345287 /nfs/dbraw/zinc/34/52/87/169345287.db2.gz HEIUPHFYBNCPSM-NSHDSACASA-N 1 0 224.304 1.626 10 0 BDAERO CCC[C@@H](C)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790091 169360083 /nfs/dbraw/zinc/36/00/83/169360083.db2.gz UHWJFNNKSBEBFM-VXGBXAGGSA-N 1 0 214.353 1.343 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC2(CC2)CC1 ZINC000309387454 169388100 /nfs/dbraw/zinc/38/81/00/169388100.db2.gz FFULFYYUFSXXFB-SNVBAGLBSA-N 1 0 210.321 1.516 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC(CC)(CO)CC1 ZINC000182894821 169388220 /nfs/dbraw/zinc/38/82/20/169388220.db2.gz RBUWWDGBBTWGPZ-LLVKDONJSA-N 1 0 242.363 1.125 10 0 BDAERO CCC[C@@H](CCCS(=O)(=O)CC)[NH2+]CC ZINC000038085937 169382296 /nfs/dbraw/zinc/38/22/96/169382296.db2.gz QQFVXWSEUQIYBT-NSHDSACASA-N 1 0 235.393 1.980 10 0 BDAERO CCC[C@@H](C[NH3+])C(=O)NCc1cccc(C)n1 ZINC000051575875 169382630 /nfs/dbraw/zinc/38/26/30/169382630.db2.gz PNXFDYRMOPHOEW-NSHDSACASA-N 1 0 235.331 1.381 10 0 BDAERO CCC[C@@H](C[NH3+])N1CCOCC1(C)C ZINC000042461493 169383721 /nfs/dbraw/zinc/38/37/21/169383721.db2.gz LWJXHXXQSZLANI-JTQLQIEISA-N 1 0 200.326 1.225 10 0 BDAERO CCC[C@@H](Cn1cccnc1=O)[NH2+]CC ZINC000050185833 169386875 /nfs/dbraw/zinc/38/68/75/169386875.db2.gz USBOFWRUHZSQTB-JTQLQIEISA-N 1 0 209.293 1.022 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCCC[C@H](SC)C1 ZINC000236904202 169388450 /nfs/dbraw/zinc/38/84/50/169388450.db2.gz PBMSKFFTRPDCMI-WDEREUQCSA-N 1 0 244.404 1.858 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](CC)CSC ZINC000163312998 169391677 /nfs/dbraw/zinc/39/16/77/169391677.db2.gz LKBNGAGSAFFTKI-RKDXNWHRSA-N 1 0 218.366 1.372 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C ZINC000036872895 169391802 /nfs/dbraw/zinc/39/18/02/169391802.db2.gz GRXIWBAKFQTJIP-AXFHLTTASA-N 1 0 212.337 1.809 10 0 BDAERO CCC[C@@H]([NH3+])c1noc([C@@H]2CCCO2)n1 ZINC000041052548 169394804 /nfs/dbraw/zinc/39/48/04/169394804.db2.gz RRSBOVFQCJLWCZ-SFYZADRCSA-N 1 0 211.265 1.721 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(-c2cnn(C)c2)n1 ZINC000041052574 169395145 /nfs/dbraw/zinc/39/51/45/169395145.db2.gz AGIKJXKPBBONNP-MRVPVSSYSA-N 1 0 221.264 1.270 10 0 BDAERO c1csc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000051918352 183520209 /nfs/dbraw/zinc/52/02/09/183520209.db2.gz KKCSZHAAELAYEF-VIFPVBQESA-N 1 0 212.318 1.912 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000310034864 169419245 /nfs/dbraw/zinc/41/92/45/169419245.db2.gz SRICJAZWUKCRNG-AGIUHOORSA-N 1 0 227.348 1.960 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])CSc1ncccn1 ZINC000087541459 170779448 /nfs/dbraw/zinc/77/94/48/170779448.db2.gz SFKLTUQISSYCQY-BDAKNGLRSA-N 1 0 211.334 1.942 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1[C@@H]2C[NH3+] ZINC000083297639 166653154 /nfs/dbraw/zinc/65/31/54/166653154.db2.gz QHQDZJGHOZUKDN-IWSPIJDZSA-N 1 0 212.293 1.201 10 0 BDAERO CCN(CC[NH2+][C@H](C)COC)Cc1ccco1 ZINC000053443042 169845736 /nfs/dbraw/zinc/84/57/36/169845736.db2.gz IFJLGGZFCGNSMO-GFCCVEGCSA-N 1 0 240.347 1.726 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)OCC1CC1 ZINC000184426275 134360592 /nfs/dbraw/zinc/36/05/92/134360592.db2.gz APPNKIKCGCEHCV-CMPLNLGQSA-N 1 0 238.331 1.702 10 0 BDAERO CCN(C(=O)[C@@H](C[NH3+])OC)c1ccc(C)cc1 ZINC000227379874 169648101 /nfs/dbraw/zinc/64/81/01/169648101.db2.gz DUOUBEQHWDBSMU-GFCCVEGCSA-N 1 0 236.315 1.322 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@H]1CCC(F)(F)C1 ZINC000301001602 383827196 /nfs/dbraw/zinc/82/71/96/383827196.db2.gz VWWAIKKXJCJTEG-UWVGGRQHSA-N 1 0 218.291 1.845 10 0 BDAERO [NH3+]CC[C@@H]1COCCN1Cc1ccccc1 ZINC000035269782 383845902 /nfs/dbraw/zinc/84/59/02/383845902.db2.gz AJZPMIZIBQXAOS-CYBMUJFWSA-N 1 0 220.316 1.236 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])CSc1nncn1C ZINC000087541365 383851143 /nfs/dbraw/zinc/85/11/43/383851143.db2.gz TXRIJJTWNNSICP-SFYZADRCSA-N 1 0 214.338 1.281 10 0 BDAERO CC(=O)CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227458324 134384117 /nfs/dbraw/zinc/38/41/17/134384117.db2.gz NGGYSILHJMSNIC-JQWIXIFHSA-N 1 0 238.331 1.051 10 0 BDAERO c1ccc(CN2CC[NH2+]C3(CCOCC3)C2)cc1 ZINC000409434304 383829735 /nfs/dbraw/zinc/82/97/35/383829735.db2.gz WLDHLSUTIUOCCZ-UHFFFAOYSA-N 1 0 246.354 1.641 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)o1 ZINC000037017763 383931668 /nfs/dbraw/zinc/93/16/68/383931668.db2.gz ZMOXCFNXKSOQBF-ONGXEEELSA-N 1 0 224.304 1.749 10 0 BDAERO C([NH2+]C[C@H]1CCSC1)[C@@H]1[C@H]2COC[C@H]21 ZINC000308654119 383883537 /nfs/dbraw/zinc/88/35/37/383883537.db2.gz MWGLIFVUISQQRR-DBIOUOCHSA-N 1 0 213.346 1.222 10 0 BDAERO Cc1ccnc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000227738120 134385457 /nfs/dbraw/zinc/38/54/57/134385457.db2.gz IVMABAIFYPGKKG-NSHDSACASA-N 1 0 222.336 1.595 10 0 BDAERO Cc1cc(C)c(C[NH3+])c(N2CCCC2)n1 ZINC000036379947 383901376 /nfs/dbraw/zinc/90/13/76/383901376.db2.gz ORPXQUBSCPPHOR-UHFFFAOYSA-N 1 0 205.305 1.757 10 0 BDAERO [NH3+]CCc1[nH]nc2c1cccc2Br ZINC000089196053 383941647 /nfs/dbraw/zinc/94/16/47/383941647.db2.gz FOBPYKFCPUACMR-UHFFFAOYSA-N 1 0 240.104 1.827 10 0 BDAERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)no1 ZINC000113225503 383968907 /nfs/dbraw/zinc/96/89/07/383968907.db2.gz ZTBMHZWQGWMDGQ-ONGXEEELSA-N 1 0 249.314 1.292 10 0 BDAERO COC[C@]1(C(=O)Nc2ccccc2C)CCC[NH2+]1 ZINC000643614935 384018339 /nfs/dbraw/zinc/01/83/39/384018339.db2.gz QUQWAOSZLJBJPC-AWEZNQCLSA-N 1 0 248.326 1.702 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643616088 384007096 /nfs/dbraw/zinc/00/70/96/384007096.db2.gz ITFKQNUZKLBXGT-ZYHUDNBSSA-N 1 0 228.336 1.060 10 0 BDAERO CCC(CC)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643616232 384007680 /nfs/dbraw/zinc/00/76/80/384007680.db2.gz OSOHSKJMWUWSJG-GFCCVEGCSA-N 1 0 228.336 1.060 10 0 BDAERO CC(C)CC[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643616562 384009302 /nfs/dbraw/zinc/00/93/02/384009302.db2.gz ZGSZLWCVPGWRLU-VXGBXAGGSA-N 1 0 242.363 1.163 10 0 BDAERO [NH3+]Cc1cccnc1NC(=O)NC1CCCCC1 ZINC000074400504 384032654 /nfs/dbraw/zinc/03/26/54/384032654.db2.gz HVFQCGVQFFOEHI-UHFFFAOYSA-N 1 0 248.330 1.995 10 0 BDAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@@H](C)O)cc1 ZINC000070205013 384086062 /nfs/dbraw/zinc/08/60/62/384086062.db2.gz CNCAGZWGERLGST-MNOVXSKESA-N 1 0 236.315 1.292 10 0 BDAERO CC(C)(C)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000077452050 384070125 /nfs/dbraw/zinc/07/01/25/384070125.db2.gz ASNLBQCBENOERA-UWVGGRQHSA-N 1 0 210.321 1.243 10 0 BDAERO Cc1c(C[NH2+]CC[C@@H]2CC2(F)F)cnn1C ZINC000621378240 384100106 /nfs/dbraw/zinc/10/01/06/384100106.db2.gz QURWMFPRWMJSBW-SNVBAGLBSA-N 1 0 229.274 1.863 10 0 BDAERO Cc1csc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000293785750 384106767 /nfs/dbraw/zinc/10/67/67/384106767.db2.gz WKKGMIBYBRVHJV-SNVBAGLBSA-N 1 0 238.356 1.833 10 0 BDAERO CCOCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116408064 384133495 /nfs/dbraw/zinc/13/34/95/384133495.db2.gz MPGUZMVFVMYYBE-NSHDSACASA-N 1 0 223.320 1.246 10 0 BDAERO C[NH+](C)CCOc1cnnc(Cl)c1Cl ZINC000091362148 384120176 /nfs/dbraw/zinc/12/01/76/384120176.db2.gz ZPAYQUJCLSTUDY-UHFFFAOYSA-N 1 0 236.102 1.724 10 0 BDAERO C[NH+](C)CCOc1cc(Cl)ccn1 ZINC000091362109 384120806 /nfs/dbraw/zinc/12/08/06/384120806.db2.gz PELVVKWJGWRHDW-UHFFFAOYSA-N 1 0 200.669 1.675 10 0 BDAERO C[NH+]1CCC(Oc2cc(N)cc(Cl)n2)CC1 ZINC000091364255 384120960 /nfs/dbraw/zinc/12/09/60/384120960.db2.gz JWOIWJAGIJYVJF-UHFFFAOYSA-N 1 0 241.722 1.790 10 0 BDAERO CC(C)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116314141 384126869 /nfs/dbraw/zinc/12/68/69/384126869.db2.gz OSXKRPLWBPNDGF-LLVKDONJSA-N 1 0 207.321 1.865 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2cccc(O)c2)C1 ZINC000071140101 384152492 /nfs/dbraw/zinc/15/24/92/384152492.db2.gz GZUGGPIHEGRXSO-LBPRGKRZSA-N 1 0 248.326 1.097 10 0 BDAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2)CCO1 ZINC000116788475 384156113 /nfs/dbraw/zinc/15/61/13/384156113.db2.gz HYZRELAWNMBLMJ-CYBMUJFWSA-N 1 0 248.326 1.089 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000091667014 384138467 /nfs/dbraw/zinc/13/84/67/384138467.db2.gz MBLDJKXSFLDXSK-HIFRSBDPSA-N 1 0 248.370 1.976 10 0 BDAERO CN(CCOCC[NH3+])c1nccc2occc21 ZINC000302429315 384170487 /nfs/dbraw/zinc/17/04/87/384170487.db2.gz RZMDLUBFFWGJBR-UHFFFAOYSA-N 1 0 235.287 1.239 10 0 BDAERO Cc1cc(C)c(C)c(OC[C@H](O)C[NH3+])c1 ZINC000008028865 384191374 /nfs/dbraw/zinc/19/13/74/384191374.db2.gz RUOZNIMJTWSEGD-LLVKDONJSA-N 1 0 209.289 1.310 10 0 BDAERO C[C@H](C[NH2+][C@@H](C)c1cccnc1)N1CCOCC1 ZINC000092737783 384192241 /nfs/dbraw/zinc/19/22/41/384192241.db2.gz XDXFEFIKOYJFQM-OLZOCXBDSA-N 1 0 249.358 1.453 10 0 BDAERO Cc1noc(C)c1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282308359 384230747 /nfs/dbraw/zinc/23/07/47/384230747.db2.gz KFIRDCXBBROESG-GZMMTYOYSA-N 1 0 237.303 1.048 10 0 BDAERO C[C@H](C[NH3+])Nc1ccc2ccccc2n1 ZINC000082576512 384240087 /nfs/dbraw/zinc/24/00/87/384240087.db2.gz ODBNPMDHFDXYQG-SECBINFHSA-N 1 0 201.273 1.994 10 0 BDAERO CC/C=C/CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282290954 384212313 /nfs/dbraw/zinc/21/23/13/384212313.db2.gz 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/nfs/dbraw/zinc/28/63/01/384286301.db2.gz NFTGVMGIPUTXRF-MWLCHTKSSA-N 1 0 232.393 1.762 10 0 BDAERO Cc1cnc(O[C@H]2CCC[NH2+]C2)nc1Cl ZINC000095069342 384335189 /nfs/dbraw/zinc/33/51/89/384335189.db2.gz CYRSOUGUSHONSF-QMMMGPOBSA-N 1 0 227.695 1.569 10 0 BDAERO Clc1nccnc1COC[C@@H]1CCCC[NH2+]1 ZINC000095070383 384336902 /nfs/dbraw/zinc/33/69/02/384336902.db2.gz XRUYHUQTKRVWEQ-VIFPVBQESA-N 1 0 241.722 1.789 10 0 BDAERO Clc1nccnc1COC[C@H]1CC[NH2+]C1 ZINC000095070390 384337516 /nfs/dbraw/zinc/33/75/16/384337516.db2.gz YVTSSRUNVCQKIQ-QMMMGPOBSA-N 1 0 227.695 1.256 10 0 BDAERO Cn1c2ccccc2nc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000335576306 384337604 /nfs/dbraw/zinc/33/76/04/384337604.db2.gz BDVLRICBUCDOGZ-WDEREUQCSA-N 1 0 244.342 1.535 10 0 BDAERO CN(C[C@@H]1CC[NH2+]C1)C(=O)Cc1ccsc1 ZINC000095071188 384338453 /nfs/dbraw/zinc/33/84/53/384338453.db2.gz ILZZFVKIWVEQFR-LLVKDONJSA-N 1 0 238.356 1.359 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)c1ccnc(Cl)n1 ZINC000095070922 384339112 /nfs/dbraw/zinc/33/91/12/384339112.db2.gz DDVNVHZIDKOLCP-QMMMGPOBSA-N 1 0 226.711 1.318 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1ccnc(Cl)n1 ZINC000095070783 384339117 /nfs/dbraw/zinc/33/91/17/384339117.db2.gz CSHSSTZOHARLNH-SECBINFHSA-N 1 0 240.738 1.708 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1ncccc1O ZINC000095070813 384339123 /nfs/dbraw/zinc/33/91/23/384339123.db2.gz UKLLXYOWLONXJI-SNVBAGLBSA-N 1 0 221.304 1.366 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)C(=O)c1cccs1 ZINC000095070894 384339200 /nfs/dbraw/zinc/33/92/00/384339200.db2.gz SGWPETKGKBFOJZ-VIFPVBQESA-N 1 0 224.329 1.572 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)c1ccnc(Cl)n1 ZINC000095071062 384339418 /nfs/dbraw/zinc/33/94/18/384339418.db2.gz VTSSIBARHQSZSY-SECBINFHSA-N 1 0 240.738 1.566 10 0 BDAERO CSc1nccnc1CN1CCC[C@H]([NH3+])C1 ZINC000095071914 384340476 /nfs/dbraw/zinc/34/04/76/384340476.db2.gz VTJXHUVZFKVNLO-VIFPVBQESA-N 1 0 238.360 1.122 10 0 BDAERO C[NH2+][C@@H]1CCCN(CC(=O)c2nccs2)C1 ZINC000095071495 384340651 /nfs/dbraw/zinc/34/06/51/384340651.db2.gz KKCUWHCZVCUAMW-SECBINFHSA-N 1 0 239.344 1.010 10 0 BDAERO CSc1nccc(SC[C@@H]2CC[NH2+]C2)n1 ZINC000095071824 384341411 /nfs/dbraw/zinc/34/14/11/384341411.db2.gz VVOPHIMOLVJVFN-MRVPVSSYSA-N 1 0 241.385 1.900 10 0 BDAERO C[NH2+]C1CCN(c2nc(C)cc(Cl)n2)CC1 ZINC000095071525 384341759 /nfs/dbraw/zinc/34/17/59/384341759.db2.gz IUNUPOIWXCZCBK-UHFFFAOYSA-N 1 0 240.738 1.627 10 0 BDAERO [NH3+]C[C@H]1CCCN(c2nccc(Cl)n2)C1 ZINC000095072495 384342694 /nfs/dbraw/zinc/34/26/94/384342694.db2.gz NIWOOSHYAZCVBA-MRVPVSSYSA-N 1 0 226.711 1.305 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1cccnc1 ZINC000095072282 384343810 /nfs/dbraw/zinc/34/38/10/384343810.db2.gz ZQDINQSIVZDTEE-NEPJUHHUSA-N 1 0 205.305 1.441 10 0 BDAERO O=[S@@](Cc1cncs1)C[C@@H]1CCCC[NH2+]1 ZINC000095073521 384347672 /nfs/dbraw/zinc/34/76/72/384347672.db2.gz WACMDBATVQBJQM-VFZGTOFNSA-N 1 0 244.385 1.534 10 0 BDAERO C[NH+](C)C[C@H]1CN(Cc2ccccc2)CC[C@@H]1O ZINC000095074245 384350438 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/nfs/dbraw/zinc/40/59/96/384405996.db2.gz DZSZQWVJQUZBGD-UHFFFAOYSA-N 1 0 207.277 1.514 10 0 BDAERO Cc1ccc(Cn2cc(C(C)(C)[NH3+])nn2)cn1 ZINC000405544438 384420053 /nfs/dbraw/zinc/42/00/53/384420053.db2.gz KIGLVALQFSVFSR-UHFFFAOYSA-N 1 0 231.303 1.224 10 0 BDAERO c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCSC1)CC2 ZINC000134811020 384423181 /nfs/dbraw/zinc/42/31/81/384423181.db2.gz RSMZHIXRJOVVDF-NXEZZACHSA-N 1 0 238.360 1.078 10 0 BDAERO CCOCC[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033761 384424119 /nfs/dbraw/zinc/42/41/19/384424119.db2.gz OABGZZPKTFXJBT-ZACCUICWSA-N 1 0 201.310 1.569 10 0 BDAERO CC[C@@H](COC)[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033773 384424816 /nfs/dbraw/zinc/42/48/16/384424816.db2.gz WIOXRCIWVZLGND-PSIUFMSWSA-N 1 0 215.337 1.957 10 0 BDAERO CC1(CCNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000648174179 384376359 /nfs/dbraw/zinc/37/63/59/384376359.db2.gz NUDBZHHTEUHSOV-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO Cc1ccccc1OCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000643600673 384482439 /nfs/dbraw/zinc/48/24/39/384482439.db2.gz MJUSNYHFVFGXLD-NEPJUHHUSA-N 1 0 248.326 1.179 10 0 BDAERO CCN(CC(=O)OC(C)(C)C)C1CC([NH3+])C1 ZINC000097139121 384498969 /nfs/dbraw/zinc/49/89/69/384498969.db2.gz KIWXWXYXZDAELW-UHFFFAOYSA-N 1 0 228.336 1.140 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cncs1 ZINC000161580216 384505095 /nfs/dbraw/zinc/50/50/95/384505095.db2.gz YULMQPGXQNUFKC-ZJUUUORDSA-N 1 0 241.360 1.124 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cncs1 ZINC000161579887 384506476 /nfs/dbraw/zinc/50/64/76/384506476.db2.gz YULMQPGXQNUFKC-VHSXEESVSA-N 1 0 241.360 1.124 10 0 BDAERO COc1c(C[NH2+]C[C@H]2C[C@H]2C)c(C)nn1C ZINC000136357397 384492197 /nfs/dbraw/zinc/49/21/97/384492197.db2.gz VJXYGAXPVMVQEN-PSASIEDQSA-N 1 0 223.320 1.483 10 0 BDAERO CCc1ccc(OC[C@H](O)C[NH2+]C)cc1 ZINC000019864612 384544678 /nfs/dbraw/zinc/54/46/78/384544678.db2.gz MJSKFSOMTVXVSE-LLVKDONJSA-N 1 0 209.289 1.208 10 0 BDAERO CN(c1ccnc(C2CC2)n1)[C@H]1CC[NH2+]C1 ZINC000212221299 384563047 /nfs/dbraw/zinc/56/30/47/384563047.db2.gz RUQTXKBVIBNSPC-JTQLQIEISA-N 1 0 218.304 1.152 10 0 BDAERO C[C@@H](C[NH3+])N(C)c1nc2ccccc2n1C ZINC000212220192 384562280 /nfs/dbraw/zinc/56/22/80/384562280.db2.gz BBBRINZIHIIGMZ-VIFPVBQESA-N 1 0 218.304 1.357 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCc2sccc2C1 ZINC000052395568 384537016 /nfs/dbraw/zinc/53/70/16/384537016.db2.gz AZWAAJZARORIEA-MRVPVSSYSA-N 1 0 224.329 1.241 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000309786219 384608683 /nfs/dbraw/zinc/60/86/83/384608683.db2.gz OBDGKLPOQZTSPF-AXFHLTTASA-N 1 0 222.332 1.576 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000309786221 384609493 /nfs/dbraw/zinc/60/94/93/384609493.db2.gz OBDGKLPOQZTSPF-GARJFASQSA-N 1 0 222.332 1.576 10 0 BDAERO C[C@@H](C[NH2+]C1CC(C)(C)C1)N1CCOCC1 ZINC000309598159 384614037 /nfs/dbraw/zinc/61/40/37/384614037.db2.gz WUCSDSFBLVTJJR-NSHDSACASA-N 1 0 226.364 1.485 10 0 BDAERO CC/C=C/CC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000184527740 384615334 /nfs/dbraw/zinc/61/53/34/384615334.db2.gz PMSFDMOGGAQPMJ-RDFMZFSFSA-N 1 0 249.358 1.940 10 0 BDAERO COCCCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171638174 384622076 /nfs/dbraw/zinc/62/20/76/384622076.db2.gz ZJNASZHUTXSRQY-CYBMUJFWSA-N 1 0 226.364 1.583 10 0 BDAERO COC[C@@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000103520199 384628944 /nfs/dbraw/zinc/62/89/44/384628944.db2.gz JHMOVCNUJHZSDG-GFCCVEGCSA-N 1 0 242.363 1.261 10 0 BDAERO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1cccs1 ZINC000335212313 384672759 /nfs/dbraw/zinc/67/27/59/384672759.db2.gz CUKDOYOCACYFDL-QMMMGPOBSA-N 1 0 224.329 1.535 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(O)c2)C1 ZINC000082282525 384659732 /nfs/dbraw/zinc/65/97/32/384659732.db2.gz GCNNJAIFCCKIMQ-NSHDSACASA-N 1 0 234.299 1.168 10 0 BDAERO Cc1c(C[NH2+][C@H]2CC=CCC2)cnn1C ZINC000086552165 384662584 /nfs/dbraw/zinc/66/25/84/384662584.db2.gz XYLHIWPNCLBZSJ-LBPRGKRZSA-N 1 0 205.305 1.927 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)Cc1cccs1 ZINC000054073540 384725942 /nfs/dbraw/zinc/72/59/42/384725942.db2.gz MIURTCCPMIYAED-RKDXNWHRSA-N 1 0 226.345 1.403 10 0 BDAERO CCc1csc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000306751198 384677276 /nfs/dbraw/zinc/67/72/76/384677276.db2.gz NHMCMUMYHFINQJ-JGVFFNPUSA-N 1 0 211.334 1.631 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCC(F)(F)F ZINC000335913200 384677680 /nfs/dbraw/zinc/67/76/80/384677680.db2.gz UQZAPTREJZFNAU-RQJHMYQMSA-N 1 0 224.226 1.277 10 0 BDAERO C[C@H](C[N@@H+]1CC[C@H]2OCCN[C@H]2C1)C(C)(C)C ZINC000647541213 384686533 /nfs/dbraw/zinc/68/65/33/384686533.db2.gz MIWRWKCTBJJIMR-FRRDWIJNSA-N 1 0 240.391 1.731 10 0 BDAERO Cc1ccc(C)c([C@]2(CO)CC[NH2+]C2)c1 ZINC000258899992 384687960 /nfs/dbraw/zinc/68/79/60/384687960.db2.gz UVKVWZLMVZRPEM-CYBMUJFWSA-N 1 0 205.301 1.527 10 0 BDAERO c1ccc2c(c1)cnnc2OC1CC[NH2+]CC1 ZINC000051865607 384694615 /nfs/dbraw/zinc/69/46/15/384694615.db2.gz SQMBZUQAAOKKDU-UHFFFAOYSA-N 1 0 229.283 1.761 10 0 BDAERO c1ccc2c(c1)cnnc2O[C@@H]1CC[NH2+]C1 ZINC000051868390 384698052 /nfs/dbraw/zinc/69/80/52/384698052.db2.gz HNMQLFNMFTUERM-SNVBAGLBSA-N 1 0 215.256 1.371 10 0 BDAERO [NH3+][C@@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000125180968 384700868 /nfs/dbraw/zinc/70/08/68/384700868.db2.gz BIYWLJOOUXCBQB-RKDXNWHRSA-N 1 0 243.104 1.633 10 0 BDAERO [NH3+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000125181187 384702676 /nfs/dbraw/zinc/70/26/76/384702676.db2.gz BIYWLJOOUXCBQB-BDAKNGLRSA-N 1 0 243.104 1.633 10 0 BDAERO C[C@H]([NH3+])Cc1cncc(Br)c1 ZINC000044461709 384729848 /nfs/dbraw/zinc/72/98/48/384729848.db2.gz GCLUZWXHRYTWNG-LURJTMIESA-N 1 0 215.094 1.734 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cccc(F)c1F ZINC000054075738 384730866 /nfs/dbraw/zinc/73/08/66/384730866.db2.gz PYIPESPVFOQZGB-ZCFIWIBFSA-N 1 0 214.215 1.511 10 0 BDAERO C[NH+](C)C[C@H](NC(=O)C1CC1)c1ccccc1 ZINC000052555260 384736167 /nfs/dbraw/zinc/73/61/67/384736167.db2.gz VUSNSMFRFBPXFJ-ZDUSSCGKSA-N 1 0 232.327 1.816 10 0 BDAERO N[C@@H](C[NH3+])c1cc2c(cc1Cl)OCO2 ZINC000044472617 384741385 /nfs/dbraw/zinc/74/13/85/384741385.db2.gz DJDIORMDEMZRNT-ZETCQYMHSA-N 1 0 214.652 1.027 10 0 BDAERO Cc1ncccc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000334843522 384744600 /nfs/dbraw/zinc/74/46/00/384744600.db2.gz SILHSPCXJIZGEI-ZYHUDNBSSA-N 1 0 233.315 1.147 10 0 BDAERO C[NH2+][C@@H]([C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000043300368 384744725 /nfs/dbraw/zinc/74/47/25/384744725.db2.gz AUROXNXJPBJOGU-BDAKNGLRSA-N 1 0 219.350 1.055 10 0 BDAERO COC(=O)C1(C[NH3+])CC(c2ccccc2)C1 ZINC000083181744 384749966 /nfs/dbraw/zinc/74/99/66/384749966.db2.gz DRMZPBUGKXWMIM-UHFFFAOYSA-N 1 0 219.284 1.682 10 0 BDAERO CCn1cncc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000334928007 384755099 /nfs/dbraw/zinc/75/50/99/384755099.db2.gz ZBSHZSURRGJBOO-ZYHUDNBSSA-N 1 0 223.320 1.106 10 0 BDAERO Cc1scc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000335506971 384766696 /nfs/dbraw/zinc/76/66/96/384766696.db2.gz HZFUDAVCKVNMQM-GZMMTYOYSA-N 1 0 238.356 1.927 10 0 BDAERO [NH3+][C@H](CO)c1ccc(C(F)(F)F)cc1F ZINC000072198441 384816042 /nfs/dbraw/zinc/81/60/42/384816042.db2.gz XAUPWTSTDMVZKL-MRVPVSSYSA-N 1 0 223.169 1.837 10 0 BDAERO N[C@@H](C[NH3+])c1c(F)cccc1C(F)(F)F ZINC000072201028 384816294 /nfs/dbraw/zinc/81/62/94/384816294.db2.gz PVMVSSVWEBABDP-ZETCQYMHSA-N 1 0 222.185 1.803 10 0 BDAERO CC[C@H](C)CN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643688815 384825266 /nfs/dbraw/zinc/82/52/66/384825266.db2.gz KYBKJESNUWVRDH-WCQYABFASA-N 1 0 242.363 1.260 10 0 BDAERO CCOCCN1CC[N@@H+]([C@H](C)COC)C[C@@H]1C ZINC000247239357 384826264 /nfs/dbraw/zinc/82/62/64/384826264.db2.gz DKUNCNXXBDIEHI-QWHCGFSZSA-N 1 0 244.379 1.064 10 0 BDAERO Cc1nc(C(=O)N2CCC[C@H]([NH3+])C2)cs1 ZINC000083575750 384784045 /nfs/dbraw/zinc/78/40/45/384784045.db2.gz DTFLDXGYUMSQPP-QMMMGPOBSA-N 1 0 225.317 1.015 10 0 BDAERO [NH3+]C[C@H]1CCCCN1[C@@H]1CCSC1 ZINC000044540004 384784543 /nfs/dbraw/zinc/78/45/43/384784543.db2.gz ZAGFSBOLXLAJOV-NXEZZACHSA-N 1 0 200.351 1.305 10 0 BDAERO O=C1NC[C@@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000088538437 384785583 /nfs/dbraw/zinc/78/55/83/384785583.db2.gz NMWVPUATSDLADD-CYBMUJFWSA-N 1 0 232.283 1.371 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000048775768 384792101 /nfs/dbraw/zinc/79/21/01/384792101.db2.gz PEAWLLKWKSSXNN-SSDOTTSWSA-N 1 0 242.706 1.895 10 0 BDAERO C[C@H](C[NH3+])CNc1cncc(Br)c1 ZINC000306210380 384799780 /nfs/dbraw/zinc/79/97/80/384799780.db2.gz OKEPCGKXPAKYNP-SSDOTTSWSA-N 1 0 244.136 1.851 10 0 BDAERO C[C@@H]1C[C@H](NCc2cscn2)C[N@@H+]1C ZINC000156200951 384801724 /nfs/dbraw/zinc/80/17/24/384801724.db2.gz CBFLILFDMREALB-BDAKNGLRSA-N 1 0 211.334 1.325 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)CC(F)F ZINC000648193571 384808294 /nfs/dbraw/zinc/80/82/94/384808294.db2.gz FQMUIMFXXRTTFF-GUBZILKMSA-N 1 0 248.317 1.911 10 0 BDAERO O=C1CCCCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000053929780 384812504 /nfs/dbraw/zinc/81/25/04/384812504.db2.gz HOETYDLHHVSXHM-NWDGAFQWSA-N 1 0 225.332 1.593 10 0 BDAERO Cc1cc(Br)ccc1[C@@H]([NH3+])CO ZINC000072198663 384813688 /nfs/dbraw/zinc/81/36/88/384813688.db2.gz APVGIIBNVUYYIO-VIFPVBQESA-N 1 0 230.105 1.750 10 0 BDAERO N[C@@H](C[NH3+])c1cccc(F)c1Br ZINC000072201278 384814503 /nfs/dbraw/zinc/81/45/03/384814503.db2.gz OFRLYVPJMIWMDJ-ZETCQYMHSA-N 1 0 233.084 1.547 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+]C[C@@H]1CCSC1)C2 ZINC000376470376 384872514 /nfs/dbraw/zinc/87/25/14/384872514.db2.gz CBAVOUXWDFHGBB-WDEREUQCSA-N 1 0 237.372 1.541 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)OC(C)C)C1 ZINC000127097648 384839218 /nfs/dbraw/zinc/83/92/18/384839218.db2.gz PAEFPHYFAPOYEJ-JTQLQIEISA-N 1 0 214.309 1.605 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc[nH]c1 ZINC000175030322 384859665 /nfs/dbraw/zinc/85/96/65/384859665.db2.gz BMFVRQOKOSORDO-QWHCGFSZSA-N 1 0 247.342 1.714 10 0 BDAERO C[C@H]([NH3+])Cc1noc(C(F)(F)Cl)n1 ZINC000156789053 384891051 /nfs/dbraw/zinc/89/10/51/384891051.db2.gz MDUDTWPIPXURLY-VKHMYHEASA-N 1 0 211.599 1.247 10 0 BDAERO C(N1CCO[C@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992583 384895637 /nfs/dbraw/zinc/89/56/37/384895637.db2.gz USLSCUCRKJVHNE-QPPOZKHWSA-N 1 0 236.359 1.382 10 0 BDAERO c1ncn(C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000156621781 384912839 /nfs/dbraw/zinc/91/28/39/384912839.db2.gz BTHYDLYAVOLGCM-LBPRGKRZSA-N 1 0 236.319 1.094 10 0 BDAERO CSc1ccc(NC2CC[NH+](C)CC2)nn1 ZINC000301736292 384915140 /nfs/dbraw/zinc/91/51/40/384915140.db2.gz RGMQYZKQQIIZJW-UHFFFAOYSA-N 1 0 238.360 1.705 10 0 BDAERO C[C@H](CC[NH3+])Nc1cc(NC2CC2)ncn1 ZINC000258674521 384934430 /nfs/dbraw/zinc/93/44/30/384934430.db2.gz OTZUWEGKWTVRFB-MRVPVSSYSA-N 1 0 221.308 1.200 10 0 BDAERO Cc1nsc(N[C@@H]2CC[C@@H]([NH+](C)C)C2)n1 ZINC000301923466 384944780 /nfs/dbraw/zinc/94/47/80/384944780.db2.gz KMUJFQITOWHIFH-RKDXNWHRSA-N 1 0 226.349 1.741 10 0 BDAERO Cc1nsc(N[C@H]2CC[C@@H]([NH+](C)C)C2)n1 ZINC000301923464 384945913 /nfs/dbraw/zinc/94/59/13/384945913.db2.gz KMUJFQITOWHIFH-DTWKUNHWSA-N 1 0 226.349 1.741 10 0 BDAERO O=c1ccc(Cl)cn1C[C@@H]1CCC[NH2+]C1 ZINC000057871687 384970488 /nfs/dbraw/zinc/97/04/88/384970488.db2.gz LZRCRHMVCIQRRE-SECBINFHSA-N 1 0 226.707 1.501 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCF)C12CCC2 ZINC000377061632 384975642 /nfs/dbraw/zinc/97/56/42/384975642.db2.gz MRTLTYXTTAYXEY-LPEHRKFASA-N 1 0 201.285 1.749 10 0 BDAERO CC[C@H]([NH3+])[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000062706020 384994282 /nfs/dbraw/zinc/99/42/82/384994282.db2.gz JUKDSNHCIWAONY-WCBMZHEXSA-N 1 0 219.206 1.875 10 0 BDAERO C[C@H](F)CC[NH2+]Cc1ccnc(N(C)C)n1 ZINC000339498745 385007962 /nfs/dbraw/zinc/00/79/62/385007962.db2.gz SLBUXHSUJSLSCR-VIFPVBQESA-N 1 0 226.299 1.380 10 0 BDAERO CC(C)C1([NH2+]CC(=O)N2CCCC2)CC1 ZINC000339508636 385010946 /nfs/dbraw/zinc/01/09/46/385010946.db2.gz PSJMWFMUWSERPB-UHFFFAOYSA-N 1 0 210.321 1.387 10 0 BDAERO CC(C)C1([NH2+]C[C@@H](O)COC(C)(C)C)CC1 ZINC000339516231 385011238 /nfs/dbraw/zinc/01/12/38/385011238.db2.gz NHWDKMKMSOIXSM-LLVKDONJSA-N 1 0 229.364 1.941 10 0 BDAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(N)=O ZINC000058552029 385014700 /nfs/dbraw/zinc/01/47/00/385014700.db2.gz CFVVAXCJLYHMSU-RNFRBKRXSA-N 1 0 228.242 1.489 10 0 BDAERO CCCC[NH2+]Cc1nccc(OC)c1OC ZINC000058824388 385023343 /nfs/dbraw/zinc/02/33/43/385023343.db2.gz WEULKXLTQSINFT-UHFFFAOYSA-N 1 0 224.304 1.989 10 0 BDAERO Cc1cc2c(NC[C@@H](C)C[NH3+])nccn2n1 ZINC000157027972 385048169 /nfs/dbraw/zinc/04/81/69/385048169.db2.gz ZWSCQXCUAZABKX-QMMMGPOBSA-N 1 0 219.292 1.044 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])C(=S)N1CCSC1 ZINC000086860295 385053926 /nfs/dbraw/zinc/05/39/26/385053926.db2.gz IXFPGXSAFSQMGY-SFYZADRCSA-N 1 0 218.391 1.694 10 0 BDAERO C1CC(SC2CCOCC2)CC[NH2+]1 ZINC000062056265 385030260 /nfs/dbraw/zinc/03/02/60/385030260.db2.gz KDVBHESFQQAEMF-UHFFFAOYSA-N 1 0 201.335 1.651 10 0 BDAERO C(SC1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000062056257 385030584 /nfs/dbraw/zinc/03/05/84/385030584.db2.gz UJVIVDFMIXECPH-SECBINFHSA-N 1 0 201.335 1.651 10 0 BDAERO COC(=O)[C@@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000130366468 385036835 /nfs/dbraw/zinc/03/68/35/385036835.db2.gz ZJHNMHULNHYLBJ-MWLCHTKSSA-N 1 0 237.303 1.119 10 0 BDAERO Cc1cc(-c2ccccc2)nc(NN)[nH+]1 ZINC000062203182 385089081 /nfs/dbraw/zinc/08/90/81/385089081.db2.gz ZBJPKQHXQUPDJN-UHFFFAOYSA-N 1 0 200.245 1.738 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCN(C)C)C12CCC2 ZINC000365122949 385091725 /nfs/dbraw/zinc/09/17/25/385091725.db2.gz FLCYVJVGAYLYAV-SDDRHHMPSA-N 1 0 226.364 1.341 10 0 BDAERO c1ccc2nc(OC3C[NH2+]C3)ccc2c1 ZINC000062810156 385191781 /nfs/dbraw/zinc/19/17/81/385191781.db2.gz HBHSHCHBZSYHEB-UHFFFAOYSA-N 1 0 200.241 1.585 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(CCCC3)C2)C1 ZINC000157430836 385176468 /nfs/dbraw/zinc/17/64/68/385176468.db2.gz XWLICAJVSMVVLP-NWDGAFQWSA-N 1 0 236.359 1.907 10 0 BDAERO C[C@H](CC(N)=O)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308851588 385224485 /nfs/dbraw/zinc/22/44/85/385224485.db2.gz ONYYKOAZTLSOMO-BBBLOLIVSA-N 1 0 216.300 1.368 10 0 BDAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308851590 385224533 /nfs/dbraw/zinc/22/45/33/385224533.db2.gz ONYYKOAZTLSOMO-KXUCPTDWSA-N 1 0 216.300 1.368 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccnn3C)C2)cn1 ZINC000130212667 385226598 /nfs/dbraw/zinc/22/65/98/385226598.db2.gz SFFJGSBVCFJXGY-LLVKDONJSA-N 1 0 245.330 1.143 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@@]2(C)CCOC2)[C@@H]2CCO[C@H]21 ZINC000344064734 385249114 /nfs/dbraw/zinc/24/91/14/385249114.db2.gz BVROSVPCVPXYEW-FMCLSXCISA-N 1 0 239.359 1.816 10 0 BDAERO [NH3+][C@@H]1CCN(CC(=O)c2ccccc2Cl)C1 ZINC000050242488 385306500 /nfs/dbraw/zinc/30/65/00/385306500.db2.gz ZRVJZIVBEUNDFG-SECBINFHSA-N 1 0 238.718 1.556 10 0 BDAERO [NH3+]Cc1cn(Cc2cc(F)ccc2F)nn1 ZINC000050224412 385310979 /nfs/dbraw/zinc/31/09/79/385310979.db2.gz GZEKHLAEBNAHSK-UHFFFAOYSA-N 1 0 224.214 1.063 10 0 BDAERO c1cc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC000040863490 385311106 /nfs/dbraw/zinc/31/11/06/385311106.db2.gz UBRNUDNKIHGPIO-ULKQDVFKSA-N 1 0 204.277 1.172 10 0 BDAERO [NH3+]Cc1cn(-c2cc(Cl)ccc2F)nn1 ZINC000050224167 385311832 /nfs/dbraw/zinc/31/18/32/385311832.db2.gz JYXOTBKPEKYHTG-UHFFFAOYSA-N 1 0 226.642 1.519 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000052272892 385270506 /nfs/dbraw/zinc/27/05/06/385270506.db2.gz WUWSDUJRUXCIDC-FBIMIBRVSA-N 1 0 205.305 1.796 10 0 BDAERO CC[NH+](CC)CCN1CCO[C@H]2CCCC[C@@H]21 ZINC000157799383 385281747 /nfs/dbraw/zinc/28/17/47/385281747.db2.gz SFMFLENBGALHMR-KBPBESRZSA-N 1 0 240.391 1.972 10 0 BDAERO Cc1ccc(F)c([C@@H]([NH3+])CO)c1Cl ZINC000072197958 385298078 /nfs/dbraw/zinc/29/80/78/385298078.db2.gz PNCABPHYNMVBMW-ZETCQYMHSA-N 1 0 203.644 1.780 10 0 BDAERO CC(F)(F)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000409424409 385331619 /nfs/dbraw/zinc/33/16/19/385331619.db2.gz BUSWBQYNBILFSU-UWVGGRQHSA-N 1 0 246.301 1.632 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1cccs1 ZINC000644016494 385376263 /nfs/dbraw/zinc/37/62/63/385376263.db2.gz XHEPBNQWVPXDAG-SCZZXKLOSA-N 1 0 238.356 1.923 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000309031359 385379620 /nfs/dbraw/zinc/37/96/20/385379620.db2.gz DYUYJXVYCZBFSX-IJLUTSLNSA-N 1 0 214.353 1.341 10 0 BDAERO CC(C)n1cc(C[NH2+]C[C@H]2CCC[C@H]2O)nn1 ZINC000336707400 385382325 /nfs/dbraw/zinc/38/23/25/385382325.db2.gz NKQOOWIOZBLPIE-ZYHUDNBSSA-N 1 0 238.335 1.110 10 0 BDAERO CC(F)(F)C1CCN(C(=O)CC[NH3+])CC1 ZINC000409428786 385326664 /nfs/dbraw/zinc/32/66/64/385326664.db2.gz NEBITFXHGCRLHQ-UHFFFAOYSA-N 1 0 220.263 1.229 10 0 BDAERO Cc1ccc(C[NH3+])cc1-c1cnn(C)c1 ZINC000164943192 385327381 /nfs/dbraw/zinc/32/73/81/385327381.db2.gz QJAZLLDVUSHTFI-UHFFFAOYSA-N 1 0 201.273 1.854 10 0 BDAERO COCC[C@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000371896740 385391751 /nfs/dbraw/zinc/39/17/51/385391751.db2.gz ADXVWWUEEQOZBF-QWRGUYRKSA-N 1 0 223.320 1.213 10 0 BDAERO CC[C@H]([NH2+]CCCC(=O)NC)C(C)(C)C ZINC000309093878 385404870 /nfs/dbraw/zinc/40/48/70/385404870.db2.gz DDALFFUOCXIXKP-JTQLQIEISA-N 1 0 214.353 1.927 10 0 BDAERO Cc1nc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)sc1C ZINC000169217252 385409750 /nfs/dbraw/zinc/40/97/50/385409750.db2.gz YCHORTHJVFKUIX-GMSGAONNSA-N 1 0 241.360 1.312 10 0 BDAERO C[C@H]([NH2+]CC(N)=O)c1ccc(F)c(Cl)c1 ZINC000020078285 385410388 /nfs/dbraw/zinc/41/03/88/385410388.db2.gz MOCYITZICHKDLW-LURJTMIESA-N 1 0 230.670 1.615 10 0 BDAERO Cc1cnc(C2C[NH2+]C2)n1Cc1cccnc1 ZINC000169676705 385417239 /nfs/dbraw/zinc/41/72/39/385417239.db2.gz KBYBKDRALKLOCR-UHFFFAOYSA-N 1 0 228.299 1.322 10 0 BDAERO COC(=O)[C@H](N)[C@@H](C)Sc1ccccc1 ZINC000169726743 385419103 /nfs/dbraw/zinc/41/91/03/385419103.db2.gz VQTQAAZZNGBWGM-PSASIEDQSA-N 1 0 225.313 1.668 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000309154790 385438441 /nfs/dbraw/zinc/43/84/41/385438441.db2.gz XCNDASYCJMTJKF-LPEHRKFASA-N 1 0 228.361 1.139 10 0 BDAERO C[N@@H+]1CC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000259433558 385439661 /nfs/dbraw/zinc/43/96/61/385439661.db2.gz JLNVDWXHEBVFQV-NSHDSACASA-N 1 0 204.273 1.205 10 0 BDAERO C[C@H](C[NH2+][C@@H](C)c1ccncc1)N1CCOCC1 ZINC000156420600 385451347 /nfs/dbraw/zinc/45/13/47/385451347.db2.gz ZCUYMEVFTUBXKU-OLZOCXBDSA-N 1 0 249.358 1.453 10 0 BDAERO CCc1cc(CC)nc(N[C@H](C)CC[NH3+])n1 ZINC000309179963 385454338 /nfs/dbraw/zinc/45/43/38/385454338.db2.gz FCVNTWXAOGEQPA-SECBINFHSA-N 1 0 222.336 1.751 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000309154788 385437729 /nfs/dbraw/zinc/43/77/29/385437729.db2.gz XCNDASYCJMTJKF-GUBZILKMSA-N 1 0 228.361 1.139 10 0 BDAERO Cc1noc(C)c1CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000121071806 385464291 /nfs/dbraw/zinc/46/42/91/385464291.db2.gz PQQLZFCDCRHMKF-ZYHUDNBSSA-N 1 0 224.304 1.601 10 0 BDAERO Cc1cnc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)s1 ZINC000282044264 385490759 /nfs/dbraw/zinc/49/07/59/385490759.db2.gz ATYYZLVKBHIMQU-RKDXNWHRSA-N 1 0 239.344 1.208 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2ncc(Cl)s2)C1 ZINC000643000107 385501140 /nfs/dbraw/zinc/50/11/40/385501140.db2.gz GZWYSCKBIKQJSH-SSDOTTSWSA-N 1 0 231.752 1.985 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CCC2CCCC2)C1 ZINC000309257247 385501565 /nfs/dbraw/zinc/50/15/65/385501565.db2.gz GVAAXDSAMDOTOC-OLZOCXBDSA-N 1 0 227.348 1.648 10 0 BDAERO C[C@@H]([NH2+]CC1OCCO1)c1ccc(F)c(F)c1 ZINC000180235725 385515423 /nfs/dbraw/zinc/51/54/23/385515423.db2.gz HQDZJOIUZGAVDC-MRVPVSSYSA-N 1 0 243.253 1.988 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000644144956 385536520 /nfs/dbraw/zinc/53/65/20/385536520.db2.gz SMKOEWNDHQNWKV-ILDUYXDCSA-N 1 0 222.332 1.291 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000282249431 385539658 /nfs/dbraw/zinc/53/96/58/385539658.db2.gz GMUINNZNIFDQDR-ZLKJLUDKSA-N 1 0 244.338 1.931 10 0 BDAERO CCc1nc(C)cc(N2CCC(C)([NH3+])CC2)n1 ZINC000643029398 385523684 /nfs/dbraw/zinc/52/36/84/385523684.db2.gz SXMWKOCPZZWKTG-UHFFFAOYSA-N 1 0 234.347 1.665 10 0 BDAERO CC(C)c1cc(N2CCC(C)([NH3+])CC2)ncn1 ZINC000643029459 385524050 /nfs/dbraw/zinc/52/40/50/385524050.db2.gz WLZVJCIEXXWSAW-UHFFFAOYSA-N 1 0 234.347 1.918 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)C1CC1 ZINC000309365616 385550491 /nfs/dbraw/zinc/55/04/91/385550491.db2.gz BEBSYQAPRREBCW-LJUAHTATSA-N 1 0 222.332 1.432 10 0 BDAERO [NH3+]Cc1ccc(NCCO)c(Cl)c1 ZINC000062793162 385564392 /nfs/dbraw/zinc/56/43/92/385564392.db2.gz MLKLBTYYFDGFGZ-UHFFFAOYSA-N 1 0 200.669 1.203 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000054075496 385594258 /nfs/dbraw/zinc/59/42/58/385594258.db2.gz SYGYPFXDANKVJM-NXEZZACHSA-N 1 0 221.304 1.209 10 0 BDAERO Cc1nn(C)cc1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000306713321 385596570 /nfs/dbraw/zinc/59/65/70/385596570.db2.gz VGMRQXCJXMVDDN-RKDXNWHRSA-N 1 0 207.277 1.039 10 0 BDAERO c1ccc(CN2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000250644064 385603252 /nfs/dbraw/zinc/60/32/52/385603252.db2.gz IKSVZAZIOXSKBR-CHWSQXEVSA-N 1 0 202.301 1.480 10 0 BDAERO C[NH+](C)CCSC[C@@H](O)C(C)(C)C ZINC000308126067 385616997 /nfs/dbraw/zinc/61/69/97/385616997.db2.gz AXRNSISEQIQOIO-SECBINFHSA-N 1 0 205.367 1.688 10 0 BDAERO [NH3+]C1([C@@H](O)c2ccc(Cl)s2)CC1 ZINC000259105138 385644759 /nfs/dbraw/zinc/64/47/59/385644759.db2.gz KCAUZQUEOUQUID-ZETCQYMHSA-N 1 0 203.694 1.926 10 0 BDAERO CCCC(CCC)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000336692016 385730632 /nfs/dbraw/zinc/73/06/32/385730632.db2.gz XFCDSVAMGWKRQU-JQWIXIFHSA-N 1 0 214.353 1.125 10 0 BDAERO CCCC(CCC)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000336692018 385732152 /nfs/dbraw/zinc/73/21/52/385732152.db2.gz XFCDSVAMGWKRQU-ZYHUDNBSSA-N 1 0 214.353 1.125 10 0 BDAERO CCOC(=O)CCCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183136827 385737355 /nfs/dbraw/zinc/73/73/55/385737355.db2.gz QGGIFNBIUUEGKS-NEPJUHHUSA-N 1 0 243.347 1.877 10 0 BDAERO CCOC(=O)CCCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183136856 385737801 /nfs/dbraw/zinc/73/78/01/385737801.db2.gz QGGIFNBIUUEGKS-VXGBXAGGSA-N 1 0 243.347 1.877 10 0 BDAERO Cc1ccc([C@@H](C)NCc2cn[nH]n2)o1 ZINC000283656929 385737889 /nfs/dbraw/zinc/73/78/89/385737889.db2.gz CWHMOKFWXPONNP-MRVPVSSYSA-N 1 0 206.249 1.557 10 0 BDAERO COC[C@@H]1CCCCN(CC[NH2+]C(C)C)C1 ZINC000309635209 385757719 /nfs/dbraw/zinc/75/77/19/385757719.db2.gz JCRXZLRVIYQIAH-CYBMUJFWSA-N 1 0 228.380 1.733 10 0 BDAERO Cc1occc1CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116412 385762131 /nfs/dbraw/zinc/76/21/31/385762131.db2.gz YFKJDEDQCZLJDD-SNVBAGLBSA-N 1 0 222.288 1.156 10 0 BDAERO CCSCC[NH2+][C@H]1CCc2nc(C)cn2C1 ZINC000309644629 385768134 /nfs/dbraw/zinc/76/81/34/385768134.db2.gz LWKWHQLHKBEWMI-NSHDSACASA-N 1 0 239.388 1.849 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+]Cc1cc[nH]c1)C2 ZINC000309650908 385770387 /nfs/dbraw/zinc/77/03/87/385770387.db2.gz XUZAFMMRWRKKQZ-LLVKDONJSA-N 1 0 216.288 1.316 10 0 BDAERO O=C(c1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000215680934 385849006 /nfs/dbraw/zinc/84/90/06/385849006.db2.gz TWMVFAAOBSYNFT-YOGCLGLASA-N 1 0 216.284 1.795 10 0 BDAERO CO[C@@H]1COCC[C@@]12[NH2+]C[C@@H](C)CS2 ZINC000307314295 385849463 /nfs/dbraw/zinc/84/94/63/385849463.db2.gz VIZPYMGSBJGDBW-BBBLOLIVSA-N 1 0 217.334 1.091 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1cccc(C)c1 ZINC000215989363 385855850 /nfs/dbraw/zinc/85/58/50/385855850.db2.gz HVHLJCLQPLVMMN-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO Fc1ccc(F)c(CO[C@H]2CC[NH2+]C2)c1 ZINC000051782816 385914647 /nfs/dbraw/zinc/91/46/47/385914647.db2.gz FDXOUDFEWRMPEB-JTQLQIEISA-N 1 0 213.227 1.843 10 0 BDAERO CCc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)nc(C)n1 ZINC000272811167 385937447 /nfs/dbraw/zinc/93/74/47/385937447.db2.gz CKWHEHOIPOYYEE-GXFFZTMASA-N 1 0 248.374 1.734 10 0 BDAERO Cn1nccc1-c1ccc(CC[NH3+])cc1 ZINC000309026636 385938282 /nfs/dbraw/zinc/93/82/82/385938282.db2.gz YIEPMNVWVIXJKV-UHFFFAOYSA-N 1 0 201.273 1.588 10 0 BDAERO CCc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)nc(C)n1 ZINC000311019125 385943150 /nfs/dbraw/zinc/94/31/50/385943150.db2.gz NRQNGPMXYOOQGO-QMTHXVAHSA-N 1 0 248.374 1.769 10 0 BDAERO CC[C@H]([NH2+]C[C@H](O)CN(C)C)[C@H]1CC1(C)C ZINC000414080609 385952218 /nfs/dbraw/zinc/95/22/18/385952218.db2.gz DIFMPAMXTYLJIL-TUAOUCFPSA-N 1 0 228.380 1.323 10 0 BDAERO C[C@H]1CSC[C@@]1([NH3+])Cc1ccns1 ZINC000575558862 386006176 /nfs/dbraw/zinc/00/61/76/386006176.db2.gz DRDCUBQUYINMBW-CBAPKCEASA-N 1 0 214.359 1.766 10 0 BDAERO COc1ncc(C[NH2+][C@@H]2CCC[C@H](O)C2)s1 ZINC000309398648 386006574 /nfs/dbraw/zinc/00/65/74/386006574.db2.gz UAKRYVLEZSAUNZ-BDAKNGLRSA-N 1 0 242.344 1.545 10 0 BDAERO COc1ncc(C[NH2+][C@H]2CCC[C@H](O)C2)s1 ZINC000309398650 386006753 /nfs/dbraw/zinc/00/67/53/386006753.db2.gz UAKRYVLEZSAUNZ-IUCAKERBSA-N 1 0 242.344 1.545 10 0 BDAERO C[C@@H]1C[C@@]([NH3+])(c2cscn2)CS1 ZINC000575568987 386111682 /nfs/dbraw/zinc/11/16/82/386111682.db2.gz BHMIWLHUFYWSLW-SVRRBLITSA-N 1 0 200.332 1.823 10 0 BDAERO CC/C=C\CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336729461 386118197 /nfs/dbraw/zinc/11/81/97/386118197.db2.gz IZYHHKPDFNCMSL-WQMVXFAESA-N 1 0 210.321 1.599 10 0 BDAERO COC(=O)c1cc(Cl)ccc1CC[NH3+] ZINC000222943995 386070330 /nfs/dbraw/zinc/07/03/30/386070330.db2.gz INLKOPOJRSDJRU-UHFFFAOYSA-N 1 0 213.664 1.628 10 0 BDAERO COc1ccc(-c2cnn(CCC[NH3+])c2)cn1 ZINC000310087437 386082584 /nfs/dbraw/zinc/08/25/84/386082584.db2.gz OQBMLQRILYINTF-UHFFFAOYSA-N 1 0 232.287 1.303 10 0 BDAERO C[C@H]1C[C@]([NH3+])(Cc2cnsn2)CS1 ZINC000575571666 386144364 /nfs/dbraw/zinc/14/43/64/386144364.db2.gz KFJDKMMWMGIEHN-XPUUQOCRSA-N 1 0 215.347 1.304 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1S[C@@H]1CCOC1 ZINC000575574906 386175300 /nfs/dbraw/zinc/17/53/00/386175300.db2.gz CGQAONIJMAAKIM-KYXWUPHJSA-N 1 0 201.335 1.634 10 0 BDAERO C[C@H]1[C@@H]([NH3+])CCN1c1ncnc2c1CCCC2 ZINC000310372904 386181178 /nfs/dbraw/zinc/18/11/78/386181178.db2.gz OJTAHJHAIJEWHN-ONGXEEELSA-N 1 0 232.331 1.281 10 0 BDAERO O=C(c1ccncc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226225656 386240927 /nfs/dbraw/zinc/24/09/27/386240927.db2.gz JEXNESIHYSPMFH-SNVBAGLBSA-N 1 0 249.289 1.141 10 0 BDAERO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1(O)CCC1 ZINC000336647750 386257376 /nfs/dbraw/zinc/25/73/76/386257376.db2.gz NGZDYXCLYYYDQZ-GHMZBOCLSA-N 1 0 213.321 1.137 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCCn2ncnc21)C(C)C ZINC000164768365 386280649 /nfs/dbraw/zinc/28/06/49/386280649.db2.gz VJIGPFMZHBDWIL-QWRGUYRKSA-N 1 0 238.335 1.374 10 0 BDAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C1CCCC1 ZINC000180587910 386281441 /nfs/dbraw/zinc/28/14/41/386281441.db2.gz VSLDKLJJRAQIAB-JQWIXIFHSA-N 1 0 234.347 1.761 10 0 BDAERO Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cn1 ZINC000425526208 386311871 /nfs/dbraw/zinc/31/18/71/386311871.db2.gz JBBBTPSANYVWDR-OBJOEFQTSA-N 1 0 247.342 1.378 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000417554985 386361628 /nfs/dbraw/zinc/36/16/28/386361628.db2.gz LBJYSYYSXCSIMZ-GMTAPVOTSA-N 1 0 227.352 1.472 10 0 BDAERO C[C@H]1CCN1C1(C[NH3+])CCSCC1 ZINC000575591137 386329310 /nfs/dbraw/zinc/32/93/10/386329310.db2.gz MBUMJGJCHSQYKR-VIFPVBQESA-N 1 0 200.351 1.305 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336775915 386390691 /nfs/dbraw/zinc/39/06/91/386390691.db2.gz DCHINMNOUCBXHM-NOOOWODRSA-N 1 0 224.348 1.822 10 0 BDAERO CSc1ccc([C@@]2([NH3+])CCOC2)cc1 ZINC000521399121 386425922 /nfs/dbraw/zinc/42/59/22/386425922.db2.gz FVMNADLIXXWLNU-LLVKDONJSA-N 1 0 209.314 1.983 10 0 BDAERO [NH3+]Cc1ccc2c(c1)ncn2C[C@@H]1CCCO1 ZINC000062214041 386500166 /nfs/dbraw/zinc/50/01/66/386500166.db2.gz QHQLAEJFTRJOPH-NSHDSACASA-N 1 0 231.299 1.674 10 0 BDAERO C[NH+](C)[C@H]1CCC[C@@](N)(c2ncc[nH]2)C1 ZINC000521401299 386455804 /nfs/dbraw/zinc/45/58/04/386455804.db2.gz JILWGYSCRUUVRA-ONGXEEELSA-N 1 0 208.309 1.068 10 0 BDAERO CC[C@H]([NH2+][C@H](C)c1cccs1)C(N)=O ZINC000061676680 386532164 /nfs/dbraw/zinc/53/21/64/386532164.db2.gz OPZCZXNLIOLLCL-SFYZADRCSA-N 1 0 212.318 1.663 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@H]1CCC[C@H]1C ZINC000393744282 386535184 /nfs/dbraw/zinc/53/51/84/386535184.db2.gz IDHGJALLAOKUTD-ZJUUUORDSA-N 1 0 223.324 1.532 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336782081 386621469 /nfs/dbraw/zinc/62/14/69/386621469.db2.gz WOGIDGCZPUJZIH-SDDRHHMPSA-N 1 0 225.332 1.570 10 0 BDAERO COCc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000335499531 386625848 /nfs/dbraw/zinc/62/58/48/386625848.db2.gz IRVVGKMHIKBOHK-ZWNOBZJWSA-N 1 0 248.326 1.395 10 0 BDAERO CC(C)C[C@H](C)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000415139120 386631824 /nfs/dbraw/zinc/63/18/24/386631824.db2.gz IDBVFYINEVBTIP-RWMBFGLXSA-N 1 0 226.364 1.341 10 0 BDAERO Cc1scc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1C ZINC000335506977 386639277 /nfs/dbraw/zinc/63/92/77/386639277.db2.gz HZFUDAVCKVNMQM-LDYMZIIASA-N 1 0 238.356 1.927 10 0 BDAERO C[C@]1([C@@H]2CCCC[NH2+]2)NCCCS1 ZINC000307427914 386650619 /nfs/dbraw/zinc/65/06/19/386650619.db2.gz SWNNUWFSAIOXKC-UWVGGRQHSA-N 1 0 200.351 1.571 10 0 BDAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccco2)C[C@@H]1C ZINC000245755526 386605623 /nfs/dbraw/zinc/60/56/23/386605623.db2.gz ONDCSLVXZPUNKL-RYUDHWBXSA-N 1 0 238.331 1.167 10 0 BDAERO [NH3+]Cc1cn(C[C@@H]2CCCCS2)cn1 ZINC000300731093 386610650 /nfs/dbraw/zinc/61/06/50/386610650.db2.gz IQPURCSACHLOHO-JTQLQIEISA-N 1 0 211.334 1.628 10 0 BDAERO CCC[C@H](C(=O)NCC1CCOCC1)[NH+](C)C ZINC000179139285 386615953 /nfs/dbraw/zinc/61/59/53/386615953.db2.gz LQZVQYMUUGHHIC-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO CN(Cc1ccon1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000648088193 386682152 /nfs/dbraw/zinc/68/21/52/386682152.db2.gz GGMMLIILTSIPMJ-GXSJLCMTSA-N 1 0 237.303 1.008 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1cnccn1)[C@H]1CCCO1 ZINC000246661575 386668990 /nfs/dbraw/zinc/66/89/90/386668990.db2.gz DPDHHLSGAMGNQF-HOSYDEDBSA-N 1 0 221.304 1.695 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1cccc(F)c1 ZINC000050394549 386674771 /nfs/dbraw/zinc/67/47/71/386674771.db2.gz RKLQDHNQZGNSJS-JOYOIKCWSA-N 1 0 236.290 1.755 10 0 BDAERO CC[C@@](O)(c1ccsc1)[C@@H]1C=CC[NH2+]1 ZINC000306683299 386675970 /nfs/dbraw/zinc/67/59/70/386675970.db2.gz VIXAJVZSCYFCRO-WDEREUQCSA-N 1 0 209.314 1.874 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc(Cl)ccn1 ZINC000335469939 386688179 /nfs/dbraw/zinc/68/81/79/386688179.db2.gz MKRKMGBMPVFWNN-IONNQARKSA-N 1 0 239.706 1.297 10 0 BDAERO COc1ccc([C@@H](C)[NH3+])c(OC)c1OC ZINC000003705651 386700147 /nfs/dbraw/zinc/70/01/47/386700147.db2.gz PKLNPKXFQTWPOI-SSDOTTSWSA-N 1 0 211.261 1.732 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC000335480674 386707679 /nfs/dbraw/zinc/70/76/79/386707679.db2.gz SEUJQBFXCJBCIR-ZYHUDNBSSA-N 1 0 236.359 1.823 10 0 BDAERO Cc1ccc(OCC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000335483564 386712927 /nfs/dbraw/zinc/71/29/27/386712927.db2.gz NQAUTATXHTXZSL-WCQYABFASA-N 1 0 248.326 1.179 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000247432964 386713419 /nfs/dbraw/zinc/71/34/19/386713419.db2.gz NUZVWHGHULNCII-RYUDHWBXSA-N 1 0 223.320 1.708 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cocn1 ZINC000191115379 386756449 /nfs/dbraw/zinc/75/64/49/386756449.db2.gz UTLMMTATKKIXMW-QWHCGFSZSA-N 1 0 235.331 1.733 10 0 BDAERO Fc1cccc(F)c1CNC[C@H]1CC[NH2+]C1 ZINC000398384590 386816485 /nfs/dbraw/zinc/81/64/85/386816485.db2.gz VXWVJVPAYOQDLG-VIFPVBQESA-N 1 0 226.270 1.664 10 0 BDAERO COc1nc([C@]2(F)CC[NH2+]C2)cs1 ZINC000307281475 386817560 /nfs/dbraw/zinc/81/75/60/386817560.db2.gz JZBNHSXNVXBKNT-QMMMGPOBSA-N 1 0 202.254 1.310 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000442865014 386806167 /nfs/dbraw/zinc/80/61/67/386806167.db2.gz HIQCMJUKRCJPIP-TUAOUCFPSA-N 1 0 236.359 1.966 10 0 BDAERO C[C@]12CCCC[C@H]1CN2C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638754876 386825717 /nfs/dbraw/zinc/82/57/17/386825717.db2.gz CEYKWDKUBFBTAS-FMSGJZPZSA-N 1 0 236.359 1.905 10 0 BDAERO Cc1cnc(N2CC[C@]3(CC[NH2+]C3)C2)nc1C ZINC000395417119 386827365 /nfs/dbraw/zinc/82/73/65/386827365.db2.gz KMTRSOAZLNMSSV-ZDUSSCGKSA-N 1 0 232.331 1.283 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC000028878613 386848730 /nfs/dbraw/zinc/84/87/30/386848730.db2.gz DCHDESNNKYBSGR-VHSXEESVSA-N 1 0 249.314 1.229 10 0 BDAERO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCCN1 ZINC000044560031 386849141 /nfs/dbraw/zinc/84/91/41/386849141.db2.gz FSCQFVCYERJISS-CYBMUJFWSA-N 1 0 248.326 1.024 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](C[C@@H]3CCCO3)C2)cn1 ZINC000116322558 386941240 /nfs/dbraw/zinc/94/12/40/386941240.db2.gz RPENDIVQPVXVRY-AAEUAGOBSA-N 1 0 235.331 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387449498 /nfs/dbraw/zinc/44/94/98/387449498.db2.gz HBBLVHVXYVPZFY-WPRPVWTQSA-N 1 0 200.351 1.522 10 0 BDAERO CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1(C)C ZINC000304244964 387453074 /nfs/dbraw/zinc/45/30/74/387453074.db2.gz OXCFYWSNJRXYNP-OUAUKWLOSA-N 1 0 229.364 1.797 10 0 BDAERO C[C@@H]1C[C@@]2(CC[NH2+]1)N[C@@H](C)CCS2 ZINC000575512942 387385447 /nfs/dbraw/zinc/38/54/47/387385447.db2.gz VWDIYHPDRIHIQS-AEJSXWLSSA-N 1 0 200.351 1.570 10 0 BDAERO N[C@H]1CC[N@@H+]([C@@H]2CCCSCC2)C1 ZINC000575513256 387385470 /nfs/dbraw/zinc/38/54/70/387385470.db2.gz HMCOSQFOOUKMLN-VHSXEESVSA-N 1 0 200.351 1.305 10 0 BDAERO Cn1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000085636632 387502335 /nfs/dbraw/zinc/50/23/35/387502335.db2.gz GQKQQWHDXBUJJE-SRVKXCTJSA-N 1 0 235.331 1.323 10 0 BDAERO CC[C@]1(C(=O)N[C@@H](C)c2ccncc2)CCC[NH2+]1 ZINC000122361260 387515663 /nfs/dbraw/zinc/51/56/63/387515663.db2.gz GVNISOJOQBYNKB-SMDDNHRTSA-N 1 0 247.342 1.791 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000300360254 387518789 /nfs/dbraw/zinc/51/87/89/387518789.db2.gz VVMXLOVINCTGQT-NTZNESFSSA-N 1 0 224.348 1.681 10 0 BDAERO COC(C)(C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000300045872 387522561 /nfs/dbraw/zinc/52/25/61/387522561.db2.gz BQIMIUNBUHAVKZ-MNOVXSKESA-N 1 0 240.347 1.107 10 0 BDAERO CC(=O)[C@]1(N)CC[N@H+](Cc2ccccc2)C1 ZINC000575524925 387528925 /nfs/dbraw/zinc/52/89/25/387528925.db2.gz UARAMFBYTNHSFE-ZDUSSCGKSA-N 1 0 218.300 1.179 10 0 BDAERO CC[C@H](C[N@@H+]1CCC[C@H]1CCCO)OC ZINC000396999693 387531829 /nfs/dbraw/zinc/53/18/29/387531829.db2.gz FKCUSYHITMVWDT-NWDGAFQWSA-N 1 0 215.337 1.648 10 0 BDAERO C[C@@]1(C[C@H]2CCCO2)[NH2+]CCCS1 ZINC000575530042 387537188 /nfs/dbraw/zinc/53/71/88/387537188.db2.gz AZMALKIIJFTJHZ-NXEZZACHSA-N 1 0 201.335 1.998 10 0 BDAERO Cc1cnc(C[N@@H+]2CCC[C@@H]2CCCO)o1 ZINC000304328320 387466662 /nfs/dbraw/zinc/46/66/62/387466662.db2.gz UFNUSKHJEVNPGS-LLVKDONJSA-N 1 0 224.304 1.720 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCC1(O)CCC1 ZINC000396782648 387488528 /nfs/dbraw/zinc/48/85/28/387488528.db2.gz DVTLLHGMWTZWEN-GFCCVEGCSA-N 1 0 227.348 1.528 10 0 BDAERO C[C@@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359485 387614164 /nfs/dbraw/zinc/61/41/64/387614164.db2.gz ZBGDDUHNVFHBRC-RXMQYKEDSA-N 1 0 210.664 1.854 10 0 BDAERO CCC[C@H](C(=O)N[C@H](CC)COC)[NH+](C)C ZINC000162798715 387550923 /nfs/dbraw/zinc/55/09/23/387550923.db2.gz PYIGQYIAPPAUHD-GHMZBOCLSA-N 1 0 230.352 1.258 10 0 BDAERO C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)CC1(C)C ZINC000575530505 387552644 /nfs/dbraw/zinc/55/26/44/387552644.db2.gz FCCGXAGSGDEFHZ-SECBINFHSA-N 1 0 228.336 1.994 10 0 BDAERO Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1-c1ncco1 ZINC000119341875 387555724 /nfs/dbraw/zinc/55/57/24/387555724.db2.gz KRDUUZCULLTDFB-SECBINFHSA-N 1 0 245.282 1.936 10 0 BDAERO O[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000575547213 387638238 /nfs/dbraw/zinc/63/82/38/387638238.db2.gz XZCAPAYJBISMKT-KXUCPTDWSA-N 1 0 201.335 1.385 10 0 BDAERO CCSCC[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000344868262 387659230 /nfs/dbraw/zinc/65/92/30/387659230.db2.gz VPUIACQHGIDLLQ-BDAKNGLRSA-N 1 0 207.314 1.144 10 0 BDAERO COC[C@@H]([NH2+][C@H](CC(C)C)CN(C)C)C1CC1 ZINC000126356300 387679409 /nfs/dbraw/zinc/67/94/09/387679409.db2.gz NAFVCNBVTVYHJQ-ZIAGYGMSSA-N 1 0 242.407 1.977 10 0 BDAERO Cc1cc(C)cc(N2C[C@H](C[NH3+])CC2=O)c1 ZINC000019669480 177905937 /nfs/dbraw/zinc/90/59/37/177905937.db2.gz CQYPIPGYZRSABV-NSHDSACASA-N 1 0 218.300 1.615 10 0 BDAERO C[C@H]1SCC[C@@]1([NH3+])c1cscn1 ZINC000575562126 387701090 /nfs/dbraw/zinc/70/10/90/387701090.db2.gz YIYCDQWGRMXDAA-SVRRBLITSA-N 1 0 200.332 1.823 10 0 BDAERO [NH3+][C@@H]1CSC[C@H]1C[C@H]1CCCOC1 ZINC000575559930 387702210 /nfs/dbraw/zinc/70/22/10/387702210.db2.gz QURPQWNUGDRVLH-OPRDCNLKSA-N 1 0 201.335 1.493 10 0 BDAERO COCC[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000045035337 387703791 /nfs/dbraw/zinc/70/37/91/387703791.db2.gz HDVBGSWPZDCKKK-QWHCGFSZSA-N 1 0 230.396 1.977 10 0 BDAERO C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCCCO2)S1 ZINC000575562865 387704722 /nfs/dbraw/zinc/70/47/22/387704722.db2.gz FLKGNVAMENHGMY-KXUCPTDWSA-N 1 0 201.335 1.997 10 0 BDAERO CCCn1cc(C[NH2+][C@H]2CCO[C@H]2C)cn1 ZINC000127315046 387710813 /nfs/dbraw/zinc/71/08/13/387710813.db2.gz YZUOCUOIIFQERS-JQWIXIFHSA-N 1 0 223.320 1.560 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000440946707 387716661 /nfs/dbraw/zinc/71/66/61/387716661.db2.gz AELSFAHDDKMJQS-SRVKXCTJSA-N 1 0 240.347 1.202 10 0 BDAERO C[NH2+][C@@H]1CCN(C2CSC2)C[C@@H]1C ZINC000575565091 387723911 /nfs/dbraw/zinc/72/39/11/387723911.db2.gz CLGLAHHNBGDJPS-WCBMZHEXSA-N 1 0 200.351 1.032 10 0 BDAERO C[C@@H]1C[C@@]2(CC(=O)NN2)C[N@@H+]1Cc1ccccc1 ZINC000575570253 387737037 /nfs/dbraw/zinc/73/70/37/387737037.db2.gz UVODDUAJUNHEMG-BXUZGUMPSA-N 1 0 245.326 1.044 10 0 BDAERO CC[C@@](C)(C(C)=O)[N@@H+]1CCN(C)C[C@@H]1C ZINC000306308562 387784092 /nfs/dbraw/zinc/78/40/92/387784092.db2.gz KRQZLQWMXNAQTO-JQWIXIFHSA-N 1 0 212.337 1.380 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CN(c2ccncc2Cl)CCO1 ZINC000169213314 387801111 /nfs/dbraw/zinc/80/11/11/387801111.db2.gz QWSAMBJYQKQNTE-LDYMZIIASA-N 1 0 241.722 1.287 10 0 BDAERO c1ccc(Cc2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000062119515 387850626 /nfs/dbraw/zinc/85/06/26/387850626.db2.gz ZMJDICDXCDSNER-NSHDSACASA-N 1 0 229.283 1.737 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000442865009 387853915 /nfs/dbraw/zinc/85/39/15/387853915.db2.gz HIQCMJUKRCJPIP-QJPTWQEYSA-N 1 0 236.359 1.966 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cc(Cl)ccn2)C1 ZINC000236314612 387884377 /nfs/dbraw/zinc/88/43/77/387884377.db2.gz BWVJVXOTLZGPNM-IONNQARKSA-N 1 0 239.706 1.801 10 0 BDAERO COCCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515975 387923128 /nfs/dbraw/zinc/92/31/28/387923128.db2.gz ZOJKGTHRXNJWBT-ZDUSSCGKSA-N 1 0 249.358 1.852 10 0 BDAERO CCOCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000195513232 387923642 /nfs/dbraw/zinc/92/36/42/387923642.db2.gz AXEHNQGPOGDPOE-UHFFFAOYSA-N 1 0 237.347 1.636 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246251791 388024524 /nfs/dbraw/zinc/02/45/24/388024524.db2.gz ZVGIGFIOZIGWSX-OLZOCXBDSA-N 1 0 238.375 1.975 10 0 BDAERO CCOC(=O)CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083552918 388055430 /nfs/dbraw/zinc/05/54/30/388055430.db2.gz JVPHJOHMBVCYLF-RYUDHWBXSA-N 1 0 240.347 1.108 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H]1CCOC1 ZINC000083704257 388059184 /nfs/dbraw/zinc/05/91/84/388059184.db2.gz HVCXAEPQOFBWSC-HZSPNIEDSA-N 1 0 238.375 1.582 10 0 BDAERO COCCCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000083748619 388060842 /nfs/dbraw/zinc/06/08/42/388060842.db2.gz WAFCFDJUUPKDON-ZIAGYGMSSA-N 1 0 240.391 1.972 10 0 BDAERO CC(C)([NH3+])CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000084181951 388072496 /nfs/dbraw/zinc/07/24/96/388072496.db2.gz GXBYDLJMTKEJFK-MNOVXSKESA-N 1 0 240.347 1.284 10 0 BDAERO Cc1noc(CCC[N@H+]2CCC[C@H](O)[C@H]2C)n1 ZINC000645924961 388081407 /nfs/dbraw/zinc/08/14/07/388081407.db2.gz LPXJKTNLRUEDEI-KOLCDFICSA-N 1 0 239.319 1.156 10 0 BDAERO C[C@H](C[NH3+])CNc1ncncc1Br ZINC000085480818 388089719 /nfs/dbraw/zinc/08/97/19/388089719.db2.gz IUIKTMIQMBGYHA-ZCFIWIBFSA-N 1 0 245.124 1.246 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1CCOCC1(C)C ZINC000042463160 388093977 /nfs/dbraw/zinc/09/39/77/388093977.db2.gz VBRYXCSUCRPWIW-JTQLQIEISA-N 1 0 200.326 1.081 10 0 BDAERO Cc1[nH]c2ccccc2c1[C@H]1C[NH2+]CCN1 ZINC000071519375 388097720 /nfs/dbraw/zinc/09/77/20/388097720.db2.gz ZKKXNHPXHDXBHZ-GFCCVEGCSA-N 1 0 215.300 1.710 10 0 BDAERO C(CN[C@H]1CC[NH2+]C1)COC1CCCCC1 ZINC000086725638 388108120 /nfs/dbraw/zinc/10/81/20/388108120.db2.gz BYCHADGMHGYOJL-LBPRGKRZSA-N 1 0 226.364 1.677 10 0 BDAERO O[C@H](CNCc1ccco1)C[NH+]1CCCCC1 ZINC000195422449 388163619 /nfs/dbraw/zinc/16/36/19/388163619.db2.gz NAXYQPKFLXWCOB-GFCCVEGCSA-N 1 0 238.331 1.216 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000195215869 388145686 /nfs/dbraw/zinc/14/56/86/388145686.db2.gz VIZWPVBFKBQOTB-NWDGAFQWSA-N 1 0 247.379 1.161 10 0 BDAERO Cc1ccc(C(C)(C)C)c(OC[C@H](O)C[NH3+])c1 ZINC000008028926 388347237 /nfs/dbraw/zinc/34/72/37/388347237.db2.gz FVYGCOGTTSXFQZ-LLVKDONJSA-N 1 0 237.343 1.991 10 0 BDAERO [NH3+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000008028918 388347561 /nfs/dbraw/zinc/34/75/61/388347561.db2.gz SZCVUFMPIOKVRS-SSDOTTSWSA-N 1 0 236.098 1.692 10 0 BDAERO [NH3+]CC(=O)Nc1cccc(Br)c1F ZINC000575525066 388359635 /nfs/dbraw/zinc/35/96/35/388359635.db2.gz XQRXDCAINYSTTD-UHFFFAOYSA-N 1 0 247.067 1.485 10 0 BDAERO C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000308514435 388361984 /nfs/dbraw/zinc/36/19/84/388361984.db2.gz DOASVQCVOUHHTO-GUBZILKMSA-N 1 0 203.326 1.142 10 0 BDAERO C=Cn1cc(C[NH2+][C@@H]2CCO[C@H]2C)cn1 ZINC000235341970 388367385 /nfs/dbraw/zinc/36/73/85/388367385.db2.gz RYPYQKWKJAIDHS-GXSJLCMTSA-N 1 0 207.277 1.251 10 0 BDAERO Cc1nc(CN2C[C@H]([NH3+])[C@@H](C)C2)oc1C ZINC000235682262 388374500 /nfs/dbraw/zinc/37/45/00/388374500.db2.gz LBUZHLWJFGAXTI-XVKPBYJWSA-N 1 0 209.293 1.070 10 0 BDAERO Cc1n[nH]cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000228061677 388377904 /nfs/dbraw/zinc/37/79/04/388377904.db2.gz LBXXPEQCZFAXPG-MWLCHTKSSA-N 1 0 248.330 1.027 10 0 BDAERO Cc1cnc(NC[C@@H](C)[NH3+])c(Br)c1 ZINC000163490456 388380324 /nfs/dbraw/zinc/38/03/24/388380324.db2.gz RRTBVOYGMKOBSJ-SSDOTTSWSA-N 1 0 244.136 1.912 10 0 BDAERO CC1CC(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000646643574 388399880 /nfs/dbraw/zinc/39/98/80/388399880.db2.gz XWXOFPHEHNGJDM-AWDSCPMSSA-N 1 0 222.332 1.432 10 0 BDAERO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000393835779 388444077 /nfs/dbraw/zinc/44/40/77/388444077.db2.gz ODTQRYQRTOAUTJ-VWYCJHECSA-N 1 0 228.405 1.988 10 0 BDAERO CC(C)OC[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000393957384 388448084 /nfs/dbraw/zinc/44/80/84/388448084.db2.gz YCYDJIROCIBUDD-HBNTYKKESA-N 1 0 201.310 1.567 10 0 BDAERO c1ccc2cc(N3CC[NH2+]CC3)ncc2c1 ZINC000026898941 388449249 /nfs/dbraw/zinc/44/92/49/388449249.db2.gz PJPJVTSCAFZBGN-UHFFFAOYSA-N 1 0 213.284 1.644 10 0 BDAERO C[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000194877854 388453821 /nfs/dbraw/zinc/45/38/21/388453821.db2.gz KWSYASKIJBNJHO-WCQGTBRESA-N 1 0 224.348 1.666 10 0 BDAERO C[C@@]1(CNC(=O)[C@@]2(C)CCCC[NH2+]2)CCOC1 ZINC000335801321 388454357 /nfs/dbraw/zinc/45/43/57/388454357.db2.gz KOSKGMSTOTWISG-QWHCGFSZSA-N 1 0 240.347 1.061 10 0 BDAERO C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)C ZINC000082944221 256748628 /nfs/dbraw/zinc/74/86/28/256748628.db2.gz JOJXIZGFYNPMLN-RHYQMDGZSA-N 1 0 226.364 1.340 10 0 BDAERO CCc1nocc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000378669690 388481380 /nfs/dbraw/zinc/48/13/80/388481380.db2.gz IZOCXPNMZBQBAZ-QWRGUYRKSA-N 1 0 224.304 1.630 10 0 BDAERO c1ccc2c(c1)CCN2CCN[C@@H]1CCC[NH2+]C1 ZINC000067868480 388407161 /nfs/dbraw/zinc/40/71/61/388407161.db2.gz LCWBOBXWMYISQX-CQSZACIVSA-N 1 0 245.370 1.391 10 0 BDAERO CC(C)(C)C[C@@H](CO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000393481039 388431552 /nfs/dbraw/zinc/43/15/52/388431552.db2.gz VBECSFHULZNLKD-RYUDHWBXSA-N 1 0 228.380 1.515 10 0 BDAERO CC(C)C(C)(C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000573219447 388433979 /nfs/dbraw/zinc/43/39/79/388433979.db2.gz CLULFWVZOLFHGK-NSHDSACASA-N 1 0 226.364 1.927 10 0 BDAERO C[C@H]1C[N@H+](C[C@H]2CCCCO2)CCS1 ZINC000246095723 388438429 /nfs/dbraw/zinc/43/84/29/388438429.db2.gz HBFHBOBVBYCOSH-WDEREUQCSA-N 1 0 215.362 1.993 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccnc(N)c1 ZINC000298473584 388438588 /nfs/dbraw/zinc/43/85/88/388438588.db2.gz SNFWSAQYDXYWKN-GXSJLCMTSA-N 1 0 221.304 1.009 10 0 BDAERO C[NH2+][C@H](CO)c1cc(Br)cs1 ZINC000041678694 388439144 /nfs/dbraw/zinc/43/91/44/388439144.db2.gz OSRNRLPAGXQPSF-ZCFIWIBFSA-N 1 0 236.134 1.763 10 0 BDAERO Cc1nc(CN2CC[N@@H+]3CCCC[C@H]3C2)oc1C ZINC000246178282 388439573 /nfs/dbraw/zinc/43/95/73/388439573.db2.gz KGGHNTXYGJYJCF-ZDUSSCGKSA-N 1 0 249.358 1.962 10 0 BDAERO CC(C)C1([NH2+]CC(=O)NC2CCOCC2)CC1 ZINC000339518641 388485099 /nfs/dbraw/zinc/48/50/99/388485099.db2.gz XTMKDCKKSZMIMT-UHFFFAOYSA-N 1 0 240.347 1.060 10 0 BDAERO CCN(CC)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000135577394 388500156 /nfs/dbraw/zinc/50/01/56/388500156.db2.gz WCYZGMOTEHIPEI-GFCCVEGCSA-N 1 0 241.379 1.864 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000344048932 388504724 /nfs/dbraw/zinc/50/47/24/388504724.db2.gz VHZAIOLHHLWBHH-BPLDGKMQSA-N 1 0 249.354 1.872 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](C/C=C\c2ccccc2)C1 ZINC000344093629 388504788 /nfs/dbraw/zinc/50/47/88/388504788.db2.gz GPJXKDGDMZDMEJ-OVUXIIJLSA-N 1 0 247.338 1.781 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cccc(F)c2)C1 ZINC000344154165 388505741 /nfs/dbraw/zinc/50/57/41/388505741.db2.gz VYZCFCZHZBIJSJ-CHWSQXEVSA-N 1 0 239.290 1.407 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CCCC[C@H]2O)[C@H]2CCO[C@H]21 ZINC000516785272 256802366 /nfs/dbraw/zinc/80/23/66/256802366.db2.gz HPRVCTIXZCOLSP-SYLRKERUSA-N 1 0 239.359 1.693 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCC(F)(F)F)C1 ZINC000344704401 388509043 /nfs/dbraw/zinc/50/90/43/388509043.db2.gz AABGWSQXHXRHPV-HTQZYQBOSA-N 1 0 227.226 1.020 10 0 BDAERO C/C(=C\c1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000082297087 388586775 /nfs/dbraw/zinc/58/67/75/388586775.db2.gz JFTQAHKEWAFCRQ-VAWYXSNFSA-N 1 0 230.311 1.522 10 0 BDAERO COC[C@@](C)([NH3+])c1cc(F)ccc1F ZINC000055242861 388597207 /nfs/dbraw/zinc/59/72/07/388597207.db2.gz NARITBGZXNQXGK-SNVBAGLBSA-N 1 0 201.216 1.785 10 0 BDAERO CC/C=C/CC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000184429360 388578381 /nfs/dbraw/zinc/57/83/81/388578381.db2.gz GDQSHEANCIIANV-BTDICHCPSA-N 1 0 224.348 1.895 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](C)OC ZINC000248405554 388678573 /nfs/dbraw/zinc/67/85/73/388678573.db2.gz ARMUOKCFXKFVAT-RYUDHWBXSA-N 1 0 214.353 1.437 10 0 BDAERO CC1(C)CC(C[N@@H+]2CC[C@H]3OCCN[C@@H]3C2)C1 ZINC000530224069 388634149 /nfs/dbraw/zinc/63/41/49/388634149.db2.gz KVEXDCSCCCXDIW-CHWSQXEVSA-N 1 0 238.375 1.485 10 0 BDAERO c1ccc2[nH]c(N3CC[C@H]4C[NH2+]C[C@H]43)nc2c1 ZINC000037757010 388647350 /nfs/dbraw/zinc/64/73/50/388647350.db2.gz WESCRKAPQQMDLF-JOYOIKCWSA-N 1 0 228.299 1.361 10 0 BDAERO CC[N@H+](CC(=O)N[C@H](C)[C@H]1CCCO1)C1CC1 ZINC000247015259 388658084 /nfs/dbraw/zinc/65/80/84/388658084.db2.gz XQHGZZUHIIIJFY-ZYHUDNBSSA-N 1 0 240.347 1.154 10 0 BDAERO CCC[C@@H](C(=O)NCC1(SC)CC1)[NH+](C)C ZINC000194660892 388739026 /nfs/dbraw/zinc/73/90/26/388739026.db2.gz DJJHHWMUWQNTFC-JTQLQIEISA-N 1 0 244.404 1.729 10 0 BDAERO CC[C@H](O)C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328654127 388740183 /nfs/dbraw/zinc/74/01/83/388740183.db2.gz XFYROQFEOWUEDF-NEPJUHHUSA-N 1 0 237.347 1.148 10 0 BDAERO CCC(CC)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000128351262 388750287 /nfs/dbraw/zinc/75/02/87/388750287.db2.gz GPTGHKQUJBKHRV-LBPRGKRZSA-N 1 0 226.364 1.975 10 0 BDAERO CCCCOC[C@H](O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000248648104 388688317 /nfs/dbraw/zinc/68/83/17/388688317.db2.gz JIINIMLYJIFLQJ-JHJVBQTASA-N 1 0 245.363 1.273 10 0 BDAERO OC[C@@H]1C=C[C@@H]([NH2+]Cc2cccs2)C1 ZINC000396446868 388702916 /nfs/dbraw/zinc/70/29/16/388702916.db2.gz QGWUDHHIKQKANP-NXEZZACHSA-N 1 0 209.314 1.775 10 0 BDAERO CC1(C)CN(CCOCC(F)F)CC[C@H]1[NH3+] ZINC000262190555 135284374 /nfs/dbraw/zinc/28/43/74/135284374.db2.gz YPRJVOUEYAEHQS-SECBINFHSA-N 1 0 236.306 1.327 10 0 BDAERO Cc1noc(CN(C[C@H]2CCC[NH2+]2)C2CC2)n1 ZINC000301907657 388706483 /nfs/dbraw/zinc/70/64/83/388706483.db2.gz NLNSCZBEUMJHJN-SNVBAGLBSA-N 1 0 236.319 1.094 10 0 BDAERO CCC[C@H](C(=O)NCc1cscn1)[NH+](C)C ZINC000127165307 388717324 /nfs/dbraw/zinc/71/73/24/388717324.db2.gz NRCICGMOTWVALP-SNVBAGLBSA-N 1 0 241.360 1.490 10 0 BDAERO CCC[C@H](C)[N@@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000249416178 388720189 /nfs/dbraw/zinc/72/01/89/388720189.db2.gz ZGDIFIOYAJERFY-IHRRRGAJSA-N 1 0 242.407 1.952 10 0 BDAERO CC(C)OC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000127353717 388721136 /nfs/dbraw/zinc/72/11/36/388721136.db2.gz RNSRWLLVDYMPNJ-SNVBAGLBSA-N 1 0 214.309 1.415 10 0 BDAERO Cc1nnc(C[C@@H]2CSC[C@H]2[NH3+])s1 ZINC000575459582 388803100 /nfs/dbraw/zinc/80/31/00/388803100.db2.gz HGJPPKUSWPNBEY-RNFRBKRXSA-N 1 0 215.347 1.079 10 0 BDAERO O=C1CO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575460404 388806608 /nfs/dbraw/zinc/80/66/08/388806608.db2.gz NCCMBDRKNDNBKU-CQSZACIVSA-N 1 0 231.295 1.621 10 0 BDAERO COC[C@@H]([NH3+])c1ncsc1Br ZINC000575461662 388810314 /nfs/dbraw/zinc/81/03/14/388810314.db2.gz XRKYNRPSHAIQSA-SCSAIBSYSA-N 1 0 237.122 1.552 10 0 BDAERO CC(C)(O)C[NH2+]CC(C)(C)CCCO ZINC000227961248 388762832 /nfs/dbraw/zinc/76/28/32/388762832.db2.gz AOUOLCPKRNJGLZ-UHFFFAOYSA-N 1 0 203.326 1.146 10 0 BDAERO COc1c(C[N@@H+]2CC[C@H](C)[C@@H]2C)c(C)nn1C ZINC000091860028 388770243 /nfs/dbraw/zinc/77/02/43/388770243.db2.gz ZIOPPEGROAIIMK-ONGXEEELSA-N 1 0 237.347 1.967 10 0 BDAERO [NH3+][C@H]1COC[C@@H]1Cc1csc(Cl)c1 ZINC000575455441 388777098 /nfs/dbraw/zinc/77/70/98/388777098.db2.gz CUJANUSJXAZEJY-YUMQZZPRSA-N 1 0 217.721 1.918 10 0 BDAERO C[C@H]1CC[C@@H](N)C[N@@H+]1C[Si](C)(C)C ZINC000575455492 388777129 /nfs/dbraw/zinc/77/71/29/388777129.db2.gz JPQCVHFKDRISPQ-VHSXEESVSA-N 1 0 200.402 1.675 10 0 BDAERO CCCCOCCCN[C@@H]1CC[NH2+]C1 ZINC000229341127 388787973 /nfs/dbraw/zinc/78/79/73/388787973.db2.gz JQNKTUVCANSVCL-LLVKDONJSA-N 1 0 200.326 1.145 10 0 BDAERO O[C@H](c1ccsc1)[C@H]1CSCC[NH2+]1 ZINC000575463011 388829017 /nfs/dbraw/zinc/82/90/17/388829017.db2.gz ZZLMDQDLHJERQU-RKDXNWHRSA-N 1 0 215.343 1.487 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC000300579691 388836288 /nfs/dbraw/zinc/83/62/88/388836288.db2.gz HVIMETHNQDIENN-LPWJVIDDSA-N 1 0 245.363 1.177 10 0 BDAERO CC(C)[C@@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232699047 388856365 /nfs/dbraw/zinc/85/63/65/388856365.db2.gz OGYIIPLHRUFOAT-HBNTYKKESA-N 1 0 212.337 1.250 10 0 BDAERO CS[C@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000163100330 388867960 /nfs/dbraw/zinc/86/79/60/388867960.db2.gz VSRZPJMYEMTTIM-NXEZZACHSA-N 1 0 230.377 1.291 10 0 BDAERO C[C@@H](O)C1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000575471089 388845629 /nfs/dbraw/zinc/84/56/29/388845629.db2.gz XLRRAOCCSFEXDP-GFCCVEGCSA-N 1 0 234.343 1.361 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC1CSC1 ZINC000575487119 388874582 /nfs/dbraw/zinc/87/45/82/388874582.db2.gz KZISQSMGLYVLNU-PSASIEDQSA-N 1 0 200.351 1.161 10 0 BDAERO CC1CN([C@@]2(C[NH3+])CSC[C@H]2C)C1 ZINC000575494715 388954060 /nfs/dbraw/zinc/95/40/60/388954060.db2.gz XMDRXUNRRZMKGX-ZJUUUORDSA-N 1 0 200.351 1.019 10 0 BDAERO C[C@@H]1CN(c2ccccc2C[NH3+])[C@H](C)CO1 ZINC000035782463 132339416 /nfs/dbraw/zinc/33/94/16/132339416.db2.gz PISWWLRPXKAVBF-GHMZBOCLSA-N 1 0 220.316 1.759 10 0 BDAERO C[C@@H]1CN(c2ccc(F)cc2C[NH3+])CCO1 ZINC000037236107 132343824 /nfs/dbraw/zinc/34/38/24/132343824.db2.gz AIBNKIVWNILGMN-SECBINFHSA-N 1 0 224.279 1.510 10 0 BDAERO C[C@@H]1CCc2ccccc2N1C(=O)C[NH3+] ZINC000042228360 132350819 /nfs/dbraw/zinc/35/08/19/132350819.db2.gz YUDXOCFJNRFGNC-SECBINFHSA-N 1 0 204.273 1.313 10 0 BDAERO C[C@@H]1CN(c2cc(N)cc[nH+]2)C[C@H](C)O1 ZINC000043567825 132353413 /nfs/dbraw/zinc/35/34/13/132353413.db2.gz XQFKVQKCSUTZJV-DTORHVGOSA-N 1 0 207.277 1.277 10 0 BDAERO [NH3+]Cc1cnc(N2CCSCC2)c(Cl)c1 ZINC000051396557 132360028 /nfs/dbraw/zinc/36/00/28/132360028.db2.gz SHNKHRUCOPZQCD-UHFFFAOYSA-N 1 0 243.763 1.747 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(F)cn1 ZINC000053706837 132363477 /nfs/dbraw/zinc/36/34/77/132363477.db2.gz MOLYXPJWQGDYMB-NSHDSACASA-N 1 0 223.295 1.799 10 0 BDAERO C([NH2+][C@@H]1CCN2CCCC[C@H]12)C1CCOCC1 ZINC000250865839 533370341 /nfs/dbraw/zinc/37/03/41/533370341.db2.gz RGSLMZHXXZBMPB-ZIAGYGMSSA-N 1 0 238.375 1.629 10 0 BDAERO C[C@@H](Nc1cccc(CO)c1)[C@@H]1CC[NH2+]C1 ZINC000400346839 533559511 /nfs/dbraw/zinc/55/95/11/533559511.db2.gz AEZHUOGXCNYFNT-ZYHUDNBSSA-N 1 0 220.316 1.589 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(F)cn1 ZINC000269467024 132194540 /nfs/dbraw/zinc/19/45/40/132194540.db2.gz IGMNKNGMKKLGRH-MWLCHTKSSA-N 1 0 236.294 1.289 10 0 BDAERO CCc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])nc(C)n1 ZINC000250505932 132231922 /nfs/dbraw/zinc/23/19/22/132231922.db2.gz IUGBDBBHGYPWPW-ZWNOBZJWSA-N 1 0 248.374 1.911 10 0 BDAERO COC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037196348 132295672 /nfs/dbraw/zinc/29/56/72/132295672.db2.gz LSLRMXIQWAGTRC-ZYHUDNBSSA-N 1 0 248.326 1.719 10 0 BDAERO Cc1noc(-c2ccc(N3CC[NH2+]CC3)cc2)n1 ZINC000040351015 132296154 /nfs/dbraw/zinc/29/61/54/132296154.db2.gz ZJDOKFGCHLZFTO-UHFFFAOYSA-N 1 0 244.298 1.455 10 0 BDAERO CCc1nc(C)c(CC)c(N2CC[NH2+]CC2)n1 ZINC000045950796 132299244 /nfs/dbraw/zinc/29/92/44/132299244.db2.gz AGGFBSBYBVLZCB-UHFFFAOYSA-N 1 0 234.347 1.319 10 0 BDAERO CCc1nc(Cl)nc(N2CC[NH2+]CC2)c1C ZINC000073735059 132303552 /nfs/dbraw/zinc/30/35/52/132303552.db2.gz YIYKHJRMEZIOHW-UHFFFAOYSA-N 1 0 240.738 1.410 10 0 BDAERO [NH3+]CCCN1C(=O)COc2ccc(Cl)cc21 ZINC000011568779 132319781 /nfs/dbraw/zinc/31/97/81/132319781.db2.gz RUTQIFGBIAPITN-UHFFFAOYSA-N 1 0 240.690 1.414 10 0 BDAERO Cc1ccc2c(c1)O[C@@H](C1=[NH+]CCN1)CN2C ZINC000013518748 132322033 /nfs/dbraw/zinc/32/20/33/132322033.db2.gz NMIOWUYTWNFIQG-GFCCVEGCSA-N 1 0 231.299 1.194 10 0 BDAERO CC[C@H]1C[NH2+]CCN1c1cccc(OC)c1 ZINC000016945062 132323686 /nfs/dbraw/zinc/32/36/86/132323686.db2.gz CNLAEFWJTMFCSL-NSHDSACASA-N 1 0 220.316 1.883 10 0 BDAERO C[C@@H]1CCCCN1c1ccc(C(N)=[NH2+])cn1 ZINC000019472119 132325237 /nfs/dbraw/zinc/32/52/37/132325237.db2.gz BBCCIUIHSYXWDU-SECBINFHSA-N 1 0 218.304 1.744 10 0 BDAERO COc1ccc(OC)c(N2CCC([NH3+])CC2)c1 ZINC000019488396 132325733 /nfs/dbraw/zinc/32/57/33/132325733.db2.gz FWLPNTVPNDMBLR-UHFFFAOYSA-N 1 0 236.315 1.631 10 0 BDAERO C[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000019685485 132326187 /nfs/dbraw/zinc/32/61/87/132326187.db2.gz LPGOILWPDOEFKW-UHFFFAOYSA-N 1 0 237.322 1.167 10 0 BDAERO Nc1ccccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000020351859 132331276 /nfs/dbraw/zinc/33/12/76/132331276.db2.gz HDBHXZRWQIALQY-LLVKDONJSA-N 1 0 217.316 1.553 10 0 BDAERO [NH3+]Cc1cccc(N2C(=O)CCCC2=O)c1 ZINC000020423157 132331371 /nfs/dbraw/zinc/33/13/71/132331371.db2.gz WECHAIJIWFMCFN-UHFFFAOYSA-N 1 0 218.256 1.189 10 0 BDAERO O=C1Nc2ccc(Cl)cc2N2CC[NH2+]C[C@H]12 ZINC000026145234 132333161 /nfs/dbraw/zinc/33/31/61/132333161.db2.gz DMKXWGJIDPBMPT-SNVBAGLBSA-N 1 0 237.690 1.070 10 0 BDAERO Clc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC000027736070 132334042 /nfs/dbraw/zinc/33/40/42/132334042.db2.gz YWCGQAFDWUNNAA-OCAPTIKFSA-N 1 0 224.695 1.071 10 0 BDAERO [NH3+]CCCN1C(=O)CCc2cc(F)ccc21 ZINC000035355545 132338269 /nfs/dbraw/zinc/33/82/69/132338269.db2.gz MKTMHFAFXCHSNJ-UHFFFAOYSA-N 1 0 222.263 1.454 10 0 BDAERO COC(=O)[C@H]([NH3+])C1CCN(c2ccccc2)CC1 ZINC000035630182 132338427 /nfs/dbraw/zinc/33/84/27/132338427.db2.gz DZGSDEYDHPFMLR-CYBMUJFWSA-N 1 0 248.326 1.403 10 0 BDAERO Cc1cc(N2CCCC[C@@H]2CCO)[nH+]cc1N ZINC000036250793 132341374 /nfs/dbraw/zinc/34/13/74/132341374.db2.gz VDPWFIDVLOANHC-LLVKDONJSA-N 1 0 235.331 1.714 10 0 BDAERO Cc1[nH+]c(N2C[C@H](C)O[C@@H](C)C2)ccc1N ZINC000036251000 132341690 /nfs/dbraw/zinc/34/16/90/132341690.db2.gz ZZKCYSJBOWMNGC-IUCAKERBSA-N 1 0 221.304 1.586 10 0 BDAERO NC(=[NH2+])c1ccccc1N1CCC(CO)CC1 ZINC000036720972 132342488 /nfs/dbraw/zinc/34/24/88/132342488.db2.gz QIURJICQWCBJFC-UHFFFAOYSA-N 1 0 233.315 1.179 10 0 BDAERO [NH3+]Cc1ccccc1N1CCC[C@H](O)C1 ZINC000036795667 132342664 /nfs/dbraw/zinc/34/26/64/132342664.db2.gz XGZKTERUFROMBM-NSHDSACASA-N 1 0 206.289 1.106 10 0 BDAERO CC[C@H]1CO[C@@H](C)CN1c1ncccc1C[NH3+] ZINC000036794463 132342781 /nfs/dbraw/zinc/34/27/81/132342781.db2.gz UVRMWYVAWQAXOZ-JQWIXIFHSA-N 1 0 235.331 1.544 10 0 BDAERO COC1CCN(c2cc[nH+]cc2N)CC1 ZINC000037266277 132344219 /nfs/dbraw/zinc/34/42/19/132344219.db2.gz XMTCUUHXTDKOJJ-UHFFFAOYSA-N 1 0 207.277 1.279 10 0 BDAERO C[C@H]([NH3+])CC(=O)N1CCSc2ccccc21 ZINC000040855035 132348523 /nfs/dbraw/zinc/34/85/23/132348523.db2.gz ASAKTACREQMWEJ-VIFPVBQESA-N 1 0 236.340 1.863 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1ccc(F)c(F)c1 ZINC000041226218 132349412 /nfs/dbraw/zinc/34/94/12/132349412.db2.gz QJFFHGINEPHZKD-QMMMGPOBSA-N 1 0 212.243 1.763 10 0 BDAERO c1ccc2c(c1)nncc2N1CC[NH2+]CC1 ZINC000041227633 132349450 /nfs/dbraw/zinc/34/94/50/132349450.db2.gz WNOQDSSKTAOGHI-UHFFFAOYSA-N 1 0 214.272 1.039 10 0 BDAERO C[NH+](C)CC1CCN(c2ccc(CO)cc2)CC1 ZINC000042394966 132351250 /nfs/dbraw/zinc/35/12/50/132351250.db2.gz IFLVLBPNDJOTQX-UHFFFAOYSA-N 1 0 248.370 1.957 10 0 BDAERO CCCO[C@H]1CCCN(c2ccc(C[NH3+])cn2)C1 ZINC000042408091 132351414 /nfs/dbraw/zinc/35/14/14/132351414.db2.gz JQVZKCQDXRWPAA-ZDUSSCGKSA-N 1 0 249.358 1.936 10 0 BDAERO CC[NH2+]CCN1c2ccccc2OCC1=O ZINC000042409928 132351561 /nfs/dbraw/zinc/35/15/61/132351561.db2.gz KNSCRRUCWFFKLX-UHFFFAOYSA-N 1 0 220.272 1.022 10 0 BDAERO [NH3+]Cc1c(Cl)cccc1N1CCC[C@H](O)C1 ZINC000042469545 132352524 /nfs/dbraw/zinc/35/25/24/132352524.db2.gz QBVXSJJIEQOEPN-VIFPVBQESA-N 1 0 240.734 1.760 10 0 BDAERO Cc1ccc(C[NH3+])c(N2CCO[C@@H](C)C2)n1 ZINC000043395467 132352937 /nfs/dbraw/zinc/35/29/37/132352937.db2.gz MOVCPRIFKUZYMD-JTQLQIEISA-N 1 0 221.304 1.074 10 0 BDAERO c1csc(-c2ccnc(N3CC[NH2+]CC3)n2)c1 ZINC000048016679 132355309 /nfs/dbraw/zinc/35/53/09/132355309.db2.gz RCGLAIFVSWTGAD-UHFFFAOYSA-N 1 0 246.339 1.615 10 0 BDAERO C[NH2+][C@H]1CCN(c2cccnc2)[C@@H](C)C1 ZINC000049694159 132356667 /nfs/dbraw/zinc/35/66/67/132356667.db2.gz RIUXNBDZUXJWQZ-QWRGUYRKSA-N 1 0 205.305 1.658 10 0 BDAERO CC(C)(C[NH3+])CN1CCN(c2ccccc2)CC1 ZINC000049835991 132358346 /nfs/dbraw/zinc/35/83/46/132358346.db2.gz NJEAROMWPMQWNV-UHFFFAOYSA-N 1 0 247.386 1.794 10 0 BDAERO Nc1ccc(N2CC[NH2+]CC2)cc1C(F)(F)F ZINC000050607352 132359216 /nfs/dbraw/zinc/35/92/16/132359216.db2.gz OQVULRZEAPVBJD-UHFFFAOYSA-N 1 0 245.248 1.697 10 0 BDAERO C[C@H]1CCCN(c2ccnc(C[NH3+])c2)C1 ZINC000051396206 132360053 /nfs/dbraw/zinc/36/00/53/132360053.db2.gz MOFRNFVVIIPPPL-JTQLQIEISA-N 1 0 205.305 1.777 10 0 BDAERO CC(C)(C)[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000051399191 132360566 /nfs/dbraw/zinc/36/05/66/132360566.db2.gz HVLRPIZREBYZLE-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO CCC[NH2+]Cc1cccnc1N1CCOC[C@@H]1C ZINC000051443940 132360915 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C[C@@H]1CSCC[N@H+](C[C@H]2CCCNC2=O)C1 ZINC000334556846 135696823 /nfs/dbraw/zinc/69/68/23/135696823.db2.gz PUQZQVKYXVRZGT-WDEREUQCSA-N 1 0 242.388 1.198 10 0 BDAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccn2)C[C@H]1[NH3+] ZINC000335378056 136086179 /nfs/dbraw/zinc/08/61/79/136086179.db2.gz BFOUZHHLKTYLKT-VXNVDRBHSA-N 1 0 239.706 1.154 10 0 BDAERO CC1CCN(CC[N@@H+]2C[C@H](C)C[C@@H](O)C2)CC1 ZINC000335588122 136102462 /nfs/dbraw/zinc/10/24/62/136102462.db2.gz FPLMSIUUMZUOOE-ZIAGYGMSSA-N 1 0 240.391 1.421 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000401965764 533674242 /nfs/dbraw/zinc/67/42/42/533674242.db2.gz UDKLTPZIKBCIDL-IWSPIJDZSA-N 1 0 241.253 1.002 10 0 BDAERO CCOCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000151107295 397735753 /nfs/dbraw/zinc/73/57/53/397735753.db2.gz YXVLPYPMXVPXQY-ZDUSSCGKSA-N 1 0 249.358 1.852 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCn1cccn1 ZINC000175335657 397771520 /nfs/dbraw/zinc/77/15/20/397771520.db2.gz LKEFXDVETNNVQP-CYBMUJFWSA-N 1 0 236.363 1.299 10 0 BDAERO CC[C@@H]([NH3+])C(=O)Nc1ncc(Cl)s1 ZINC000306919351 397950752 /nfs/dbraw/zinc/95/07/52/397950752.db2.gz DOBDHRHTAKWEFM-SCSAIBSYSA-N 1 0 219.697 1.472 10 0 BDAERO CCC[C@@H](C[NH2+]CC[C@@H]1CCCO1)OC ZINC000382191160 397919222 /nfs/dbraw/zinc/91/92/22/397919222.db2.gz BURMZYMKNHKZLH-RYUDHWBXSA-N 1 0 215.337 1.960 10 0 BDAERO C[C@H]([NH2+]CCc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000564825401 398045838 /nfs/dbraw/zinc/04/58/38/398045838.db2.gz CYCNMEPNJVVOBH-RYUDHWBXSA-N 1 0 222.332 1.800 10 0 BDAERO [NH3+]C[C@@]1(N2CCCSCC2)CCSC1 ZINC000042443626 398015751 /nfs/dbraw/zinc/01/57/51/398015751.db2.gz BMSYWRYTUPEQBQ-JTQLQIEISA-N 1 0 232.418 1.260 10 0 BDAERO NC[C@H](C1CC1)[N@@H+]1CCCSCC1 ZINC000042443458 398015835 /nfs/dbraw/zinc/01/58/35/398015835.db2.gz ZGWFJEXKUHDAMV-SNVBAGLBSA-N 1 0 200.351 1.163 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334639811 398021372 /nfs/dbraw/zinc/02/13/72/398021372.db2.gz NQBVPNIZWDDCMZ-LLVKDONJSA-N 1 0 222.332 1.577 10 0 BDAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(F)(F)F)C2 ZINC000575556788 397981773 /nfs/dbraw/zinc/98/17/73/397981773.db2.gz DFGMNSKDLXYCKC-DTORHVGOSA-N 1 0 236.237 1.007 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]CCCF)C12CCOCC2 ZINC000186422909 398053754 /nfs/dbraw/zinc/05/37/54/398053754.db2.gz BVDKRBYIOZGERZ-NWDGAFQWSA-N 1 0 245.338 1.910 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC000383970483 398055090 /nfs/dbraw/zinc/05/50/90/398055090.db2.gz IMSKRNKQUCEFGG-KBPBESRZSA-N 1 0 241.375 1.944 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCOC(C)(C)C1 ZINC000383993555 398055788 /nfs/dbraw/zinc/05/57/88/398055788.db2.gz LYCAHWLCYVQOIR-LLVKDONJSA-N 1 0 242.363 1.387 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)C2CCC([NH3+])CC2)[C@@H](C)O1 ZINC000384692348 398102286 /nfs/dbraw/zinc/10/22/86/398102286.db2.gz CTHXKONYQWHION-PSEORLGDSA-N 1 0 240.347 1.186 10 0 BDAERO COC[C@@]1(C(=O)Nc2cc(C)ccn2)CCC[NH2+]1 ZINC000649275456 398133831 /nfs/dbraw/zinc/13/38/31/398133831.db2.gz AUQAZAPFRFJIOO-CYBMUJFWSA-N 1 0 249.314 1.097 10 0 BDAERO CC(C)C[NH2+]C[C@H]1CC[C@H](Cn2cncn2)O1 ZINC000052575239 167007876 /nfs/dbraw/zinc/00/78/76/167007876.db2.gz SHJRWLCBUHCWFU-VXGBXAGGSA-N 1 0 238.335 1.071 10 0 BDAERO CC(C)COC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000041028706 167021064 /nfs/dbraw/zinc/02/10/64/167021064.db2.gz FLFUMAFDOMUFQR-SECBINFHSA-N 1 0 200.282 1.202 10 0 BDAERO C[C@@H]1C[C@H](C)CN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000252149914 322871817 /nfs/dbraw/zinc/87/18/17/322871817.db2.gz OMCOLWSDVWLFIX-FRRDWIJNSA-N 1 0 238.375 1.881 10 0 BDAERO C[C@@H]1C[C@@H](C)CN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000252149918 322872135 /nfs/dbraw/zinc/87/21/35/322872135.db2.gz OMCOLWSDVWLFIX-JHJVBQTASA-N 1 0 238.375 1.881 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN1c1ccncn1 ZINC000053694481 167113414 /nfs/dbraw/zinc/11/34/14/167113414.db2.gz TURDERACTJFTQL-NSHDSACASA-N 1 0 220.320 1.443 10 0 BDAERO CC(C)N[C@@](C)(C(N)=O)c1c(F)cccc1F ZINC000037446527 167136999 /nfs/dbraw/zinc/13/69/99/167136999.db2.gz CKMYGOCXGAZKRV-GFCCVEGCSA-N 1 0 242.269 1.663 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392891430 487557704 /nfs/dbraw/zinc/55/77/04/487557704.db2.gz NNYJQHHJZGOXAZ-WRWGMCAJSA-N 1 0 240.347 1.201 10 0 BDAERO c1cn2c(n1)CC[C@@H](C[NH2+]Cc1cscn1)C2 ZINC000275481925 487560040 /nfs/dbraw/zinc/56/00/40/487560040.db2.gz IMGWUEHYVBRAES-JTQLQIEISA-N 1 0 248.355 1.692 10 0 BDAERO CC(C)OC(=O)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000050033694 167160169 /nfs/dbraw/zinc/16/01/69/167160169.db2.gz ZTAQNSHTQFMJNM-GFCCVEGCSA-N 1 0 240.347 1.108 10 0 BDAERO CC(C)OC(=O)N1CCCC[C@H]1C[NH3+] ZINC000044555667 167161544 /nfs/dbraw/zinc/16/15/44/167161544.db2.gz LKQZVCVALHDLLO-VIFPVBQESA-N 1 0 200.282 1.345 10 0 BDAERO CC(C)OCCCn1cnnc1[C@H]1CCC[NH2+]1 ZINC000098126478 167229592 /nfs/dbraw/zinc/22/95/92/167229592.db2.gz YOCDXXBVAOEOMC-LLVKDONJSA-N 1 0 238.335 1.518 10 0 BDAERO CC(C)OC[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339501219 167261943 /nfs/dbraw/zinc/26/19/43/167261943.db2.gz FXRMUGXDQJQWKN-NSHDSACASA-N 1 0 215.337 1.551 10 0 BDAERO C[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)CS1 ZINC000086936358 487592704 /nfs/dbraw/zinc/59/27/04/487592704.db2.gz VHWASKIJFDEBNE-QGVKSAJWSA-N 1 0 201.335 1.241 10 0 BDAERO CCOCCN(C)C[C@H]1CCC[N@@H+]1CC ZINC000175330188 487598583 /nfs/dbraw/zinc/59/85/83/487598583.db2.gz CNBQSTIUXOBWSE-GFCCVEGCSA-N 1 0 214.353 1.439 10 0 BDAERO C[C@H](NC(=O)c1ccc(C[NH3+])o1)C1CC1 ZINC000087046079 487600283 /nfs/dbraw/zinc/60/02/83/487600283.db2.gz SDIVRXFZTMFVSJ-ZETCQYMHSA-N 1 0 208.261 1.267 10 0 BDAERO CC1(C)[C@@H]2C[N@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]21 ZINC000305636275 487600613 /nfs/dbraw/zinc/60/06/13/487600613.db2.gz HTOJZSVWNUCRFZ-WRWGMCAJSA-N 1 0 209.333 1.878 10 0 BDAERO CC(C)S(=O)(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950497 167319191 /nfs/dbraw/zinc/31/91/91/167319191.db2.gz FCRYHLGSNLMEDD-UHFFFAOYSA-N 1 0 242.344 1.320 10 0 BDAERO CC(C)CCN(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087122581 487608882 /nfs/dbraw/zinc/60/88/82/487608882.db2.gz CLYSYPMZKCUDMR-NWDGAFQWSA-N 1 0 226.364 1.879 10 0 BDAERO COC(C)(C)C[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000309772726 487610249 /nfs/dbraw/zinc/61/02/49/487610249.db2.gz OYXXDKVNVGNARD-RYUDHWBXSA-N 1 0 229.364 1.894 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCS[C@@H]1C ZINC000308506219 409766991 /nfs/dbraw/zinc/76/69/91/409766991.db2.gz FNMOTMZDBASBBH-HRDYMLBCSA-N 1 0 216.350 1.124 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CCC1CC1 ZINC000308834738 409910240 /nfs/dbraw/zinc/91/02/40/409910240.db2.gz KSZIBFLWKPVLAX-LLVKDONJSA-N 1 0 212.337 1.618 10 0 BDAERO CCCc1nccnc1N1CCC(C)([NH3+])CC1 ZINC000663272407 410091200 /nfs/dbraw/zinc/09/12/00/410091200.db2.gz NVMDAANCGRMEPR-UHFFFAOYSA-N 1 0 234.347 1.747 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nc([C@@H](C)OC)ns1 ZINC000663278600 410092348 /nfs/dbraw/zinc/09/23/48/410092348.db2.gz KQFQSCUVHAHQCY-RNFRBKRXSA-N 1 0 230.337 1.265 10 0 BDAERO Cc1noc2ncnc(NCC[C@@H]([NH3+])C(C)C)c12 ZINC000663276409 410092535 /nfs/dbraw/zinc/09/25/35/410092535.db2.gz WPWSVZALWFCICD-SECBINFHSA-N 1 0 249.318 1.712 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1cncc(Br)c1 ZINC000663281575 410095699 /nfs/dbraw/zinc/09/56/99/410095699.db2.gz YCSIMPWUQBIVKD-SSDOTTSWSA-N 1 0 244.136 1.864 10 0 BDAERO Brc1ccc(CO[C@@H]2CC[NH2+]C2)o1 ZINC000051782501 166098395 /nfs/dbraw/zinc/09/83/95/166098395.db2.gz OHWOXIPSUBMYDF-SSDOTTSWSA-N 1 0 246.104 1.921 10 0 BDAERO Brc1cccc2c1NCC[NH2+]C2 ZINC000062613028 166101333 /nfs/dbraw/zinc/10/13/33/166101333.db2.gz MIBZMYAECHYSKA-UHFFFAOYSA-N 1 0 227.105 1.964 10 0 BDAERO CC1CC(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653219613 410169942 /nfs/dbraw/zinc/16/99/42/410169942.db2.gz KZHBCOXWFJSCPO-UHFFFAOYSA-N 1 0 210.321 1.278 10 0 BDAERO Cc1cc(F)ccc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000128236387 410194865 /nfs/dbraw/zinc/19/48/65/410194865.db2.gz LZUNESJVRNFCIB-UHFFFAOYSA-N 1 0 248.305 1.968 10 0 BDAERO CCN(CCC(F)(F)F)C(=O)[C@@H](C)[NH2+]C ZINC000655431526 410252013 /nfs/dbraw/zinc/25/20/13/410252013.db2.gz PXOAYORPTLTYPQ-SSDOTTSWSA-N 1 0 226.242 1.395 10 0 BDAERO CCCCOCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000128984465 410365526 /nfs/dbraw/zinc/36/55/26/410365526.db2.gz BZNHHLASFJDEAE-NSHDSACASA-N 1 0 230.352 1.293 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCC(F)(F)F ZINC000129156003 410367652 /nfs/dbraw/zinc/36/76/52/410367652.db2.gz CNFNWAVUCBKODB-QMMMGPOBSA-N 1 0 240.269 1.819 10 0 BDAERO CC1(CNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000225526979 487616191 /nfs/dbraw/zinc/61/61/91/487616191.db2.gz XRMVSMQZDRFWJE-UHFFFAOYSA-N 1 0 210.321 1.420 10 0 BDAERO CC(=O)c1ccc(NC[C@H](O)CC[NH3+])cc1 ZINC000071524448 166466412 /nfs/dbraw/zinc/46/64/12/166466412.db2.gz JURHKOHCQQSNGY-GFCCVEGCSA-N 1 0 222.288 1.011 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@H]1CSCC[NH2+]1 ZINC000068577516 166662704 /nfs/dbraw/zinc/66/27/04/166662704.db2.gz WBROBAGOGJAZOY-MRVPVSSYSA-N 1 0 232.349 1.216 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(N)=[NH2+] ZINC000070660526 166666013 /nfs/dbraw/zinc/66/60/13/166666013.db2.gz QUPZFIQJLSKKMS-JGVFFNPUSA-N 1 0 227.308 1.616 10 0 BDAERO C[C@H](O)CC[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000393763200 410761470 /nfs/dbraw/zinc/76/14/70/410761470.db2.gz OUICNIACRZUZJD-SDDRHHMPSA-N 1 0 215.337 1.240 10 0 BDAERO CO[C@@H](CNC(=O)C1CCC([NH3+])CC1)C(C)C ZINC000394473907 410800801 /nfs/dbraw/zinc/80/08/01/410800801.db2.gz OFOQJPBMJJDQEK-MCIGGMRASA-N 1 0 242.363 1.291 10 0 BDAERO CC(C)CN(C(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000037806680 166924902 /nfs/dbraw/zinc/92/49/02/166924902.db2.gz GXPMFYMIEDZHBR-NSHDSACASA-N 1 0 210.321 1.385 10 0 BDAERO Cc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000383408230 487619129 /nfs/dbraw/zinc/61/91/29/487619129.db2.gz CKQRDMAVSBSYDR-NSHDSACASA-N 1 0 218.304 1.069 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CC[C@H](Cn2ccnc2)O1 ZINC000052575509 167006312 /nfs/dbraw/zinc/00/63/12/167006312.db2.gz CIJZUAFYHCEXOE-QWHCGFSZSA-N 1 0 237.347 1.676 10 0 BDAERO CC(C)C[NH2+][C@@]1(CO)CCCSC1 ZINC000061590900 167013042 /nfs/dbraw/zinc/01/30/42/167013042.db2.gz ABPBXTLWCGZBPK-SNVBAGLBSA-N 1 0 203.351 1.490 10 0 BDAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCOc2ccccc21 ZINC000037946273 167014119 /nfs/dbraw/zinc/01/41/19/167014119.db2.gz DIGZPPCUTBCCCA-AWEZNQCLSA-N 1 0 248.326 1.395 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccoc2)C1 ZINC000155592891 167029030 /nfs/dbraw/zinc/02/90/30/167029030.db2.gz BCOPCRWGJPYBFN-PWSUYJOCSA-N 1 0 236.315 1.738 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccon2)[C@@H](C)C1 ZINC000158881532 167034317 /nfs/dbraw/zinc/03/43/17/167034317.db2.gz OKOMWLQUWYDNDS-ONGXEEELSA-N 1 0 237.303 1.133 10 0 BDAERO CC(C)NC(=O)COc1ccccc1[C@H](C)[NH3+] ZINC000022212463 167063199 /nfs/dbraw/zinc/06/31/99/167063199.db2.gz UVGKRWLUBORXKC-JTQLQIEISA-N 1 0 236.315 1.610 10 0 BDAERO CC(C)NC(=O)[C@H](C[NH3+])Cc1ccc(O)cc1 ZINC000050304186 167083644 /nfs/dbraw/zinc/08/36/44/167083644.db2.gz QINSEZKIKJREDX-NSHDSACASA-N 1 0 236.315 1.034 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000037632203 167098977 /nfs/dbraw/zinc/09/89/77/167098977.db2.gz IVOXSGYEFAERLN-VXGBXAGGSA-N 1 0 242.363 1.400 10 0 BDAERO CC(C)[NH2+]CCCOc1ccc(C(N)=O)cc1 ZINC000043501106 167102590 /nfs/dbraw/zinc/10/25/90/167102590.db2.gz BBMTZSDIGRIJBS-UHFFFAOYSA-N 1 0 236.315 1.552 10 0 BDAERO CC(C)[NH2+]CCc1nnc([C@@H]2CCCOC2)o1 ZINC000062243974 167109734 /nfs/dbraw/zinc/10/97/34/167109734.db2.gz GGSLHRMEYJKEOC-SNVBAGLBSA-N 1 0 239.319 1.504 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)COC(=O)C1CCCCC1 ZINC000027657889 167112009 /nfs/dbraw/zinc/11/20/09/167112009.db2.gz FOFMTYHAMPVSAQ-GFCCVEGCSA-N 1 0 243.347 1.469 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)COc1cccc2c1CC=C2 ZINC000003627432 167112018 /nfs/dbraw/zinc/11/20/18/167112018.db2.gz SAWHVYHGMYAXLH-CYBMUJFWSA-N 1 0 247.338 1.994 10 0 in-man BDAERO CC(C)[NH2+]C[C@@H](O)c1ccc2[nH]cnc2c1 ZINC000060024588 167112122 /nfs/dbraw/zinc/11/21/22/167112122.db2.gz AYYAZGVQQWKVRG-GFCCVEGCSA-N 1 0 219.288 1.594 10 0 BDAERO CC(C)[NH2+]Cc1cc(-n2cncn2)ccn1 ZINC000051489646 167116348 /nfs/dbraw/zinc/11/63/48/167116348.db2.gz SNMHYERZEOXHBR-UHFFFAOYSA-N 1 0 217.276 1.160 10 0 BDAERO CC(C)[NH2+]Cc1ccc(-n2cccn2)nn1 ZINC000051489342 167119336 /nfs/dbraw/zinc/11/93/36/167119336.db2.gz AGGNOCHRELFECB-UHFFFAOYSA-N 1 0 217.276 1.160 10 0 BDAERO CC(C)[NH2+]Cc1ccnc(-c2ncccn2)n1 ZINC000054791783 167120300 /nfs/dbraw/zinc/12/03/00/167120300.db2.gz CCLJIXJEZKJDGU-UHFFFAOYSA-N 1 0 229.287 1.432 10 0 BDAERO CC(C)[NH2+]Cc1nnc(-c2cccnc2)o1 ZINC000050615891 167123178 /nfs/dbraw/zinc/12/31/78/167123178.db2.gz QOKHYJROOIOTKW-UHFFFAOYSA-N 1 0 218.260 1.630 10 0 BDAERO CC(C)[NH2+][C@@H](CC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000062446363 167132862 /nfs/dbraw/zinc/13/28/62/167132862.db2.gz KRNSUOKEUDTGEW-LBPRGKRZSA-N 1 0 242.363 1.702 10 0 BDAERO CC(C)OC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000044555664 167162543 /nfs/dbraw/zinc/16/25/43/167162543.db2.gz LKQZVCVALHDLLO-SECBINFHSA-N 1 0 200.282 1.345 10 0 BDAERO CC[NH+](CC)CCc1nc(N)nc(C2CC2)n1 ZINC000104389823 169783975 /nfs/dbraw/zinc/78/39/75/169783975.db2.gz FDTVQTJUOBREGQ-UHFFFAOYSA-N 1 0 235.335 1.216 10 0 BDAERO CC(C)OCCCNC(=O)[C@H]([NH3+])C(C)(C)C ZINC000083357629 167220965 /nfs/dbraw/zinc/22/09/65/167220965.db2.gz MAMPEAAHOWKJML-JTQLQIEISA-N 1 0 230.352 1.291 10 0 BDAERO CC(C)OCCN1CC[NH2+]CC[C@@H]1C ZINC000062568767 167235820 /nfs/dbraw/zinc/23/58/20/167235820.db2.gz VXNADVNRGKLKFV-NSHDSACASA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)OCCN1C[C@H](C)[NH2+]CC1(C)C ZINC000062571782 167237806 /nfs/dbraw/zinc/23/78/06/167237806.db2.gz UPZBTBVQMGJFLH-NSHDSACASA-N 1 0 214.353 1.484 10 0 BDAERO C[C@]1(CNC(=O)C2CCC([NH3+])CC2)CCOC1 ZINC000397242371 410918344 /nfs/dbraw/zinc/91/83/44/410918344.db2.gz YQIOSXMRAJEONX-GCZXYKMCSA-N 1 0 240.347 1.047 10 0 BDAERO CC(C)Oc1c(OC2CC2)ccnc1C[NH3+] ZINC000095722513 167284304 /nfs/dbraw/zinc/28/43/04/167284304.db2.gz WEASARWODRXAMT-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)Oc1ccc(C[NH2+]CCO)cc1F ZINC000098125081 167294555 /nfs/dbraw/zinc/29/45/55/167294555.db2.gz OTOCHXGJXJOWNY-UHFFFAOYSA-N 1 0 227.279 1.695 10 0 BDAERO CC(C)Oc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1 ZINC000035679933 167295939 /nfs/dbraw/zinc/29/59/39/167295939.db2.gz AXXBZHYPWBPKEL-JTQLQIEISA-N 1 0 234.299 1.538 10 0 BDAERO C[C@H](CCC1CC1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398106904 410943333 /nfs/dbraw/zinc/94/33/33/410943333.db2.gz AEKKOFZKZDURMT-ZWNOBZJWSA-N 1 0 224.348 1.823 10 0 BDAERO CC(C)S[C@@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000043238411 167335380 /nfs/dbraw/zinc/33/53/80/167335380.db2.gz JDZWJZWCTKDQQA-WCBMZHEXSA-N 1 0 213.350 1.950 10 0 BDAERO CC(C)S[C@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000043238413 167335800 /nfs/dbraw/zinc/33/58/00/167335800.db2.gz JDZWJZWCTKDQQA-WPRPVWTQSA-N 1 0 213.350 1.950 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NCC1=CC[NH2+]CC1 ZINC000186272958 167356709 /nfs/dbraw/zinc/35/67/09/167356709.db2.gz POOBUEKDIRJOTC-NSHDSACASA-N 1 0 224.348 1.705 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290890 167363458 /nfs/dbraw/zinc/36/34/58/167363458.db2.gz LWBMULNRTYCKGR-NEPJUHHUSA-N 1 0 226.364 1.879 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)c1ccc(C[NH3+])cn1 ZINC000104208289 167366524 /nfs/dbraw/zinc/36/65/24/167366524.db2.gz WIXZLKWWYMTUCO-SNVBAGLBSA-N 1 0 235.331 1.657 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062890910 167366855 /nfs/dbraw/zinc/36/68/55/167366855.db2.gz NLGPQNXBOFSOLN-ZYHUDNBSSA-N 1 0 212.337 1.489 10 0 BDAERO CC(C)[C@@H](C)NC(=O)C[NH2+]CC(C)(C)N(C)C ZINC000049855842 167373690 /nfs/dbraw/zinc/37/36/90/167373690.db2.gz VGECPKSFZVTOHR-LLVKDONJSA-N 1 0 243.395 1.077 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309085 167376893 /nfs/dbraw/zinc/37/68/93/167376893.db2.gz KGYGDCDBXMQVKW-GMTAPVOTSA-N 1 0 212.337 1.522 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000368365510 167384586 /nfs/dbraw/zinc/38/45/86/167384586.db2.gz RWOLYGACQTWJIQ-IJLUTSLNSA-N 1 0 247.404 1.976 10 0 BDAERO CC(C)[C@@H](CC[NH3+])C(=O)NCc1ccccn1 ZINC000076618069 167389486 /nfs/dbraw/zinc/38/94/86/167389486.db2.gz XOXZOGMDCDLSDU-GFCCVEGCSA-N 1 0 235.331 1.319 10 0 BDAERO CC(C)[C@@H](CC[NH3+])C(=O)NCc1ccncc1 ZINC000076618081 167389586 /nfs/dbraw/zinc/38/95/86/167389586.db2.gz WIVUWOGSJJZFRX-GFCCVEGCSA-N 1 0 235.331 1.319 10 0 BDAERO CC(C)[C@@H](CC[NH3+])C(=O)NCc1ccco1 ZINC000076611719 167390437 /nfs/dbraw/zinc/39/04/37/167390437.db2.gz VPNMCIYAFFFQGW-LLVKDONJSA-N 1 0 224.304 1.517 10 0 BDAERO CC(C)[C@@H](C[NH3+])CC(=O)NCc1ccncc1 ZINC000076618191 167397321 /nfs/dbraw/zinc/39/73/21/167397321.db2.gz LSZHTJRQFYOCLG-GFCCVEGCSA-N 1 0 235.331 1.319 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](OCC)C1 ZINC000042424928 411002786 /nfs/dbraw/zinc/00/27/86/411002786.db2.gz GFGOMDHABWCFMZ-GHMZBOCLSA-N 1 0 228.336 1.141 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CCC(C)(C)C)C1 ZINC000399766649 411063484 /nfs/dbraw/zinc/06/34/84/411063484.db2.gz WQRQVLRBBQZADT-GHMZBOCLSA-N 1 0 242.363 1.258 10 0 BDAERO C[N@H+](C[C@@H]1CCCOC1)C[C@H]1CCC[C@H](O)C1 ZINC000393819857 411081863 /nfs/dbraw/zinc/08/18/63/411081863.db2.gz AIAXQNKWZHUDCD-IHRRRGAJSA-N 1 0 241.375 1.896 10 0 BDAERO Cc1cc(C)cc(OCCN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300086666 411081904 /nfs/dbraw/zinc/08/19/04/411081904.db2.gz LRCYZSDRMSVZTP-DZGCQCFKSA-N 1 0 248.370 1.961 10 0 BDAERO C[C@@H]([NH3+])CNc1nc2cccc(F)c2o1 ZINC000107207825 411132772 /nfs/dbraw/zinc/13/27/72/411132772.db2.gz JNUFPQFOZTYEFB-ZCFIWIBFSA-N 1 0 209.224 1.726 10 0 BDAERO CC(C)c1ccn(-c2cc(C[NH3+])ccn2)n1 ZINC000052884135 167645612 /nfs/dbraw/zinc/64/56/12/167645612.db2.gz FDZBQWBLDJCMBF-UHFFFAOYSA-N 1 0 216.288 1.849 10 0 BDAERO CC[C@@H](NC(=O)C1(OC)CC[NH2+]CC1)C(C)C ZINC000302549288 411138293 /nfs/dbraw/zinc/13/82/93/411138293.db2.gz JSNPQUCSUODHLI-LLVKDONJSA-N 1 0 242.363 1.306 10 0 BDAERO CC1CC(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000309516411 411157895 /nfs/dbraw/zinc/15/78/95/411157895.db2.gz RSVNADIMHFBPSY-HSOILSAZSA-N 1 0 210.321 1.148 10 0 BDAERO Cc1noc2ncnc(NCC[C@@H]3CC[NH2+]C3)c12 ZINC000110798104 411119261 /nfs/dbraw/zinc/11/92/61/411119261.db2.gz DPNLMIBESVXFKC-VIFPVBQESA-N 1 0 247.302 1.338 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000657944385 411176810 /nfs/dbraw/zinc/17/68/10/411176810.db2.gz AAJQEDHOXUOLFG-OLZOCXBDSA-N 1 0 238.375 1.629 10 0 BDAERO CN(CC(F)(F)F)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000309601014 411183085 /nfs/dbraw/zinc/18/30/85/411183085.db2.gz XQSQENKSHMSQSK-MRVPVSSYSA-N 1 0 238.253 1.539 10 0 BDAERO CC(C)n1cc(Cl)cc1C(=O)NCC[NH3+] ZINC000037902439 167752804 /nfs/dbraw/zinc/75/28/04/167752804.db2.gz GMOSKJRCEJRAJT-UHFFFAOYSA-N 1 0 229.711 1.411 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000128917124 411189664 /nfs/dbraw/zinc/18/96/64/411189664.db2.gz LFKFOVDUMGCVBJ-AXFHLTTASA-N 1 0 228.336 1.044 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)CCCO1 ZINC000061920265 411199844 /nfs/dbraw/zinc/19/98/44/411199844.db2.gz RUQLKXFKDBCKSO-VOMCLLRMSA-N 1 0 240.347 1.141 10 0 BDAERO CCOCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246176965 411202763 /nfs/dbraw/zinc/20/27/63/411202763.db2.gz JXCLXAPWLHQXBM-OLZOCXBDSA-N 1 0 226.364 1.582 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658033986 411209552 /nfs/dbraw/zinc/20/95/52/411209552.db2.gz FMJQUHCPUTZBFS-RYUDHWBXSA-N 1 0 224.348 1.382 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000653902139 411217792 /nfs/dbraw/zinc/21/77/92/411217792.db2.gz LKDKNUXAGZXMRA-WCQYABFASA-N 1 0 245.363 1.009 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cscn1 ZINC000129068311 411217895 /nfs/dbraw/zinc/21/78/95/411217895.db2.gz FLCFSWDMAFHMMM-VIFPVBQESA-N 1 0 227.333 1.133 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCNC1=O)c1cccc(F)c1 ZINC000658053641 411220813 /nfs/dbraw/zinc/22/08/13/411220813.db2.gz XWIHYWWQITYIBL-NWDGAFQWSA-N 1 0 236.290 1.755 10 0 BDAERO O=C1NCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000658053664 411221576 /nfs/dbraw/zinc/22/15/76/411221576.db2.gz YCHFLJQOWAONEY-NXEZZACHSA-N 1 0 220.272 1.135 10 0 BDAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC000658055528 411222331 /nfs/dbraw/zinc/22/23/31/411222331.db2.gz PKPXALDDEUCNSR-IJLUTSLNSA-N 1 0 224.348 1.823 10 0 BDAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC000658055525 411222404 /nfs/dbraw/zinc/22/24/04/411222404.db2.gz PKPXALDDEUCNSR-GRYCIOLGSA-N 1 0 224.348 1.823 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000659294945 411223874 /nfs/dbraw/zinc/22/38/74/411223874.db2.gz PAFAUBQYTJDZFU-XQHKEYJVSA-N 1 0 236.359 1.762 10 0 BDAERO CC[C@@H](NC(=O)[C@@]1(COC)CC[NH2+]C1)C(C)C ZINC000310447431 411238402 /nfs/dbraw/zinc/23/84/02/411238402.db2.gz RMALCTQQWZKKSE-YPMHNXCESA-N 1 0 242.363 1.163 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](n2ccc(N)n2)C1 ZINC000616659297 411241206 /nfs/dbraw/zinc/24/12/06/411241206.db2.gz FIRGXGMOKYHBEJ-JTQLQIEISA-N 1 0 238.335 1.137 10 0 BDAERO CC(C)[C@@H](C)n1nnc2c1C[C@@H]([NH3+])CC2 ZINC000536958823 411266182 /nfs/dbraw/zinc/26/61/82/411266182.db2.gz INPBLEPSPBKIOA-BDAKNGLRSA-N 1 0 208.309 1.311 10 0 BDAERO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)nc1 ZINC000128881897 411273436 /nfs/dbraw/zinc/27/34/36/411273436.db2.gz NKYFUAGTFDIQSQ-SNVBAGLBSA-N 1 0 221.304 1.702 10 0 BDAERO Nc1n[nH]cc1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000616609935 411288925 /nfs/dbraw/zinc/28/89/25/411288925.db2.gz LKTCFZNGNLNYMG-LBPRGKRZSA-N 1 0 242.326 1.981 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncnc3c2CCCC3)C1 ZINC000382451861 411290536 /nfs/dbraw/zinc/29/05/36/411290536.db2.gz GDHHEPJDBCNZSK-GHMZBOCLSA-N 1 0 246.358 1.895 10 0 BDAERO CN1C[C@@H](C[NH2+][C@@H]2CCCC23CC3)CC1=O ZINC000658239560 411308164 /nfs/dbraw/zinc/30/81/64/411308164.db2.gz DXNAQCILVUYJLX-GHMZBOCLSA-N 1 0 222.332 1.387 10 0 BDAERO CCN(C(=O)C[C@H]([NH3+])C(C)C)[C@@H]1CCCOC1 ZINC000402685845 411308548 /nfs/dbraw/zinc/30/85/48/411308548.db2.gz KAMVWJCQFMGYAC-NEPJUHHUSA-N 1 0 242.363 1.387 10 0 BDAERO Cc1cnc(C)c(NCC2([NH3+])CCCC2)n1 ZINC000656610218 411308657 /nfs/dbraw/zinc/30/86/57/411308657.db2.gz WARIFYBEVYVGCT-UHFFFAOYSA-N 1 0 220.320 1.777 10 0 BDAERO CN1C[C@@H](C[NH2+][C@H]2CCCC23CCC3)CC1=O ZINC000658240734 411308997 /nfs/dbraw/zinc/30/89/97/411308997.db2.gz JFRQNDSOQNGUNT-NEPJUHHUSA-N 1 0 236.359 1.777 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658245285 411310383 /nfs/dbraw/zinc/31/03/83/411310383.db2.gz WSJHLNQIUQQTCO-MNOVXSKESA-N 1 0 224.348 1.633 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccsc1 ZINC000658243825 411310562 /nfs/dbraw/zinc/31/05/62/411310562.db2.gz HKFQBULIBHJISI-VHSXEESVSA-N 1 0 238.356 1.877 10 0 BDAERO COCC1(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000656699400 411324188 /nfs/dbraw/zinc/32/41/88/411324188.db2.gz DPLJZRRXKXOYBJ-GHMZBOCLSA-N 1 0 213.321 1.306 10 0 BDAERO OC[C@@H]1CCC[NH+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000309807711 411252779 /nfs/dbraw/zinc/25/27/79/411252779.db2.gz YBTWNPOBWUIYLQ-XQQFMLRXSA-N 1 0 227.348 1.242 10 0 BDAERO CC1(C)CN(C(=O)C[NH2+]C2CCCC2)CCO1 ZINC000037626486 167947310 /nfs/dbraw/zinc/94/73/10/167947310.db2.gz RDZCBCOIYCUXFW-UHFFFAOYSA-N 1 0 240.347 1.156 10 0 BDAERO CO[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)C1CCC1 ZINC000660262712 411349819 /nfs/dbraw/zinc/34/98/19/411349819.db2.gz GPVDYNZZXIIWJG-KGYLQXTDSA-N 1 0 227.348 1.959 10 0 BDAERO CC(C)Oc1cncc(N2CC[C@H](C[NH3+])C2)n1 ZINC000071176073 411354496 /nfs/dbraw/zinc/35/44/96/411354496.db2.gz NXEQTWSOZLQLBH-SNVBAGLBSA-N 1 0 236.319 1.049 10 0 BDAERO C[NH2+][C@@H](C)CNc1ncnc2ccccc21 ZINC000304247785 411355536 /nfs/dbraw/zinc/35/55/36/411355536.db2.gz GFYOVLQZCJLEOX-VIFPVBQESA-N 1 0 216.288 1.650 10 0 BDAERO C[C@@H](CCc1ccco1)[NH2+]C1CC(CO)C1 ZINC000658352827 411355803 /nfs/dbraw/zinc/35/58/03/411355803.db2.gz ZBYQKPJAYMSKRX-UNXYVOJBSA-N 1 0 223.316 1.961 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1ncnc2onc(C)c21 ZINC000130524328 411357961 /nfs/dbraw/zinc/35/79/61/411357961.db2.gz FYMPTTGZTJEKGK-SECBINFHSA-N 1 0 249.318 1.856 10 0 BDAERO COc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000659314120 411339514 /nfs/dbraw/zinc/33/95/14/411339514.db2.gz IIZUBEWLOCYOTN-CMPLNLGQSA-N 1 0 248.326 1.565 10 0 BDAERO CC(C)CCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403988173 411372304 /nfs/dbraw/zinc/37/23/04/411372304.db2.gz IGTAYZGFVJTTDW-NEPJUHHUSA-N 1 0 240.347 1.012 10 0 BDAERO CC1(CO)CC[NH+](Cc2cc[nH]c2)CC1 ZINC000135039324 168051626 /nfs/dbraw/zinc/05/16/26/168051626.db2.gz QRTHDTGSAYFDCE-UHFFFAOYSA-N 1 0 208.305 1.609 10 0 BDAERO CC1(NC(=O)[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000045046883 168057991 /nfs/dbraw/zinc/05/79/91/168057991.db2.gz IFOXOKXQQSSRNP-JTQLQIEISA-N 1 0 210.321 1.577 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCCc2ccoc2)C1 ZINC000659360885 411376870 /nfs/dbraw/zinc/37/68/70/411376870.db2.gz KUXOILAUUDKGRJ-NWDGAFQWSA-N 1 0 236.315 1.456 10 0 BDAERO C[C@]1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1(F)F ZINC000659361702 411377213 /nfs/dbraw/zinc/37/72/13/411377213.db2.gz MJFPOXROXDYXDZ-NQMVMOMDSA-N 1 0 232.274 1.275 10 0 BDAERO O=C(NCCCC1CCC1)[C@H]1CC[NH2+]C1 ZINC000659362427 411377850 /nfs/dbraw/zinc/37/78/50/411377850.db2.gz PJAWROIRRJCONL-NSHDSACASA-N 1 0 210.321 1.292 10 0 BDAERO CCCCOCCn1cc(C(C)(C)[NH3+])nn1 ZINC000069680218 411380471 /nfs/dbraw/zinc/38/04/71/411380471.db2.gz BHUKLGOGQWIPCP-UHFFFAOYSA-N 1 0 226.324 1.289 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)NC1(CO)CCC(C)CC1 ZINC000053127306 168156553 /nfs/dbraw/zinc/15/65/53/168156553.db2.gz JSWYQXLHGUNVNU-AKJDGMEZSA-N 1 0 242.363 1.027 10 0 BDAERO CC1CCC([NH3+])(C(=O)OC[C@@H]2CCOC2)CC1 ZINC000049688550 168160553 /nfs/dbraw/zinc/16/05/53/168160553.db2.gz IBSTZFBXELFVRV-QWKFWESOSA-N 1 0 241.331 1.474 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]C[C@@H](O)COC1CCC(C)CC1 ZINC000052278116 168168582 /nfs/dbraw/zinc/16/85/82/168168582.db2.gz BHTAYSGVEJVIDF-ALMXHQDSSA-N 1 0 241.375 1.941 10 0 BDAERO C[C@@H](C[NH3+])CCC(=O)N1CCC(C)CC1 ZINC000076585675 168170769 /nfs/dbraw/zinc/17/07/69/168170769.db2.gz PBBZTOFXPFOEMJ-LLVKDONJSA-N 1 0 212.337 1.620 10 0 BDAERO CC1CC[NH+]([C@@H](CN)[C@H]2CCOC2)CC1 ZINC000022169907 168186645 /nfs/dbraw/zinc/18/66/45/168186645.db2.gz ZXVWRJRFOMMKNS-RYUDHWBXSA-N 1 0 212.337 1.082 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000659293353 411389595 /nfs/dbraw/zinc/38/95/95/411389595.db2.gz WVAOCCCTFYGOIY-HGCLJGPKSA-N 1 0 222.332 1.276 10 0 BDAERO COC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000404248984 411386088 /nfs/dbraw/zinc/38/60/88/411386088.db2.gz XUWDTWRAXJFTJU-MNOVXSKESA-N 1 0 242.363 1.245 10 0 BDAERO CCC(C)(C)NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000104110585 168291600 /nfs/dbraw/zinc/29/16/00/168291600.db2.gz UFIWDODZCHZCJK-UHFFFAOYSA-N 1 0 234.343 1.993 10 0 BDAERO CCC(C)(C)NC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000336237485 168292332 /nfs/dbraw/zinc/29/23/32/168292332.db2.gz BQRSEAQXIPYNHG-NXEZZACHSA-N 1 0 227.352 1.615 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H](C)OCC[NH2+]C(C)C ZINC000051862819 168293740 /nfs/dbraw/zinc/29/37/40/168293740.db2.gz MIWDTRKOKLXNCG-LLVKDONJSA-N 1 0 244.379 1.694 10 0 BDAERO O=C(NCCC1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659330731 411395939 /nfs/dbraw/zinc/39/59/39/411395939.db2.gz VANPXUGIBHNXPB-CLLJXQQHSA-N 1 0 236.359 1.538 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000659339809 411399002 /nfs/dbraw/zinc/39/90/02/411399002.db2.gz CZBVHTQRAQYFFD-CMPLNLGQSA-N 1 0 212.337 1.681 10 0 BDAERO C[C@@]1(CNC(=O)[C@H]2CCC[NH2+]C2)CC1(F)F ZINC000659361419 411402907 /nfs/dbraw/zinc/40/29/07/411402907.db2.gz KGGBLQAZGCOOGX-WPRPVWTQSA-N 1 0 232.274 1.148 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCCC2CCC2)C1 ZINC000659362812 411404216 /nfs/dbraw/zinc/40/42/16/411404216.db2.gz XJTPAMKVZGGHBU-NWDGAFQWSA-N 1 0 224.348 1.810 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1=CCCC1 ZINC000659379200 411404999 /nfs/dbraw/zinc/40/49/99/411404999.db2.gz BSANGAVXDPVWRK-PWSUYJOCSA-N 1 0 222.332 1.601 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCC2=CCCC2)C1 ZINC000659379423 411406316 /nfs/dbraw/zinc/40/63/16/411406316.db2.gz HEKOOTHFCLBGLP-NEPJUHHUSA-N 1 0 222.332 1.730 10 0 BDAERO CCO[C@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186532571 411410099 /nfs/dbraw/zinc/41/00/99/411410099.db2.gz CQWDVBSCVROUJG-MNOVXSKESA-N 1 0 240.347 1.154 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCCC(F)(F)C1 ZINC000405078446 411415287 /nfs/dbraw/zinc/41/52/87/411415287.db2.gz NWBDFWPPPUWIDZ-UWVGGRQHSA-N 1 0 246.301 1.619 10 0 BDAERO CCO[C@@H]1CN(c2cccc(C)n2)C[C@H]1C[NH3+] ZINC000405544826 411434403 /nfs/dbraw/zinc/43/44/03/411434403.db2.gz VJJDYXKXVYCNPN-VXGBXAGGSA-N 1 0 235.331 1.190 10 0 BDAERO CC[C@@H]1CN(c2nccc(C)n2)CC[C@@H]1[NH3+] ZINC000122955011 411436474 /nfs/dbraw/zinc/43/64/74/411436474.db2.gz CRMYXTUYEVTFDP-MNOVXSKESA-N 1 0 220.320 1.349 10 0 BDAERO CC[C@H]1CN(c2nccc(OC)n2)CC[C@@H]1[NH3+] ZINC000122965672 411437708 /nfs/dbraw/zinc/43/77/08/411437708.db2.gz BCHKIQDMQPHTQF-UWVGGRQHSA-N 1 0 236.319 1.049 10 0 BDAERO C[NH2+][C@H]1CCc2c(ccc(OC)c2OC)C1 ZINC000002016169 411464260 /nfs/dbraw/zinc/46/42/60/411464260.db2.gz TWLQXTYICBLGEN-JTQLQIEISA-N 1 0 221.300 1.781 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407288429 411476702 /nfs/dbraw/zinc/47/67/02/411476702.db2.gz XBTSGLWDKACXNF-VOAKCMCISA-N 1 0 236.359 1.822 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CO1 ZINC000657371508 411484511 /nfs/dbraw/zinc/48/45/11/411484511.db2.gz WUDCMTTYUXPRKC-YVECIDJPSA-N 1 0 227.348 1.695 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657371631 411484834 /nfs/dbraw/zinc/48/48/34/411484834.db2.gz XSYLNRWIZZCOOO-DGCLKSJQSA-N 1 0 249.358 1.470 10 0 BDAERO FC1(F)C[C@H]1OCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000659901395 411492998 /nfs/dbraw/zinc/49/29/98/411492998.db2.gz PLBLBMAIELEMSW-WDEREUQCSA-N 1 0 246.301 1.191 10 0 BDAERO CN1CCC[C@@H](C[N@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC000659950154 411508190 /nfs/dbraw/zinc/50/81/90/411508190.db2.gz XWVNPJVVMMRLTK-JHJVBQTASA-N 1 0 226.364 1.173 10 0 BDAERO CC[C@](C)(NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000638859070 411510963 /nfs/dbraw/zinc/51/09/63/411510963.db2.gz XNZQWNHFRWOJQS-XWIASGKRSA-N 1 0 224.348 1.809 10 0 BDAERO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCS1 ZINC000659969757 411513041 /nfs/dbraw/zinc/51/30/41/411513041.db2.gz RJXCTNNOKVPULJ-UTUOFQBUSA-N 1 0 229.389 1.973 10 0 BDAERO C[N@H+](C[C@@H](O)C1CC1)C[C@@H]1CCC[C@H](O)C1 ZINC000659995064 411522375 /nfs/dbraw/zinc/52/23/75/411522375.db2.gz QLLQAMNIDWLGIE-KGYLQXTDSA-N 1 0 227.348 1.240 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNCc2ccnc(C)n2)C1 ZINC000054790673 170008475 /nfs/dbraw/zinc/00/84/75/170008475.db2.gz JLFLODOZEAHLFF-LBPRGKRZSA-N 1 0 234.347 1.216 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2cc(C)ncn2)C1 ZINC000040727243 170009706 /nfs/dbraw/zinc/00/97/06/170009706.db2.gz FQTGIAHNYXXMNP-NSHDSACASA-N 1 0 220.320 1.539 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(O)c2)C1 ZINC000334579897 170010905 /nfs/dbraw/zinc/01/09/05/170010905.db2.gz QDMLKVXFZKCTRG-GFCCVEGCSA-N 1 0 248.326 1.525 10 0 BDAERO CC[N@@H+]1CC[C@H](CNCc2nc(C)c(C)o2)C1 ZINC000037909434 170017132 /nfs/dbraw/zinc/01/71/32/170017132.db2.gz FSTBIGHWQLFCAW-GFCCVEGCSA-N 1 0 237.347 1.723 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2cc(C)ncn2)C1 ZINC000040727241 170017323 /nfs/dbraw/zinc/01/73/23/170017323.db2.gz FQTGIAHNYXXMNP-LLVKDONJSA-N 1 0 220.320 1.539 10 0 BDAERO CCN1CC[C@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000328219992 170021433 /nfs/dbraw/zinc/02/14/33/170021433.db2.gz YDKCLSITISTFDM-LBPRGKRZSA-N 1 0 226.364 1.629 10 0 BDAERO CC[N@@H+]1CC[C@@H]2[C@@H](CCC[C@@H]2C(=O)OC)C1 ZINC000100325783 170023950 /nfs/dbraw/zinc/02/39/50/170023950.db2.gz ULPTVDUQBTYMEY-TUAOUCFPSA-N 1 0 225.332 1.918 10 0 BDAERO CCN1C[C@H]([NH2+][C@@H](C)CCCCO)[C@@H](C)C1 ZINC000309942303 170037678 /nfs/dbraw/zinc/03/76/78/170037678.db2.gz BZYRNICTPNMGTK-AVGNSLFASA-N 1 0 228.380 1.467 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000309950055 170039418 /nfs/dbraw/zinc/03/94/18/170039418.db2.gz FSCPLAQIWOMCEO-RWMBFGLXSA-N 1 0 226.364 1.485 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000336769307 170040226 /nfs/dbraw/zinc/04/02/26/170040226.db2.gz USYBSEHLQDEFFB-SDDRHHMPSA-N 1 0 228.405 1.812 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1cccnc1 ZINC000076610759 170052912 /nfs/dbraw/zinc/05/29/12/170052912.db2.gz NZXPXHVGEMMPJV-JTQLQIEISA-N 1 0 221.304 1.040 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccccc1F ZINC000076620535 170053409 /nfs/dbraw/zinc/05/34/09/170053409.db2.gz OQRJXZVLLOTIHB-JTQLQIEISA-N 1 0 238.306 1.784 10 0 BDAERO CCNC(=O)CN(C)[C@@H](C[NH3+])c1ccccc1C ZINC000043036668 170054956 /nfs/dbraw/zinc/05/49/56/170054956.db2.gz WQWUFWDJFSTHOM-ZDUSSCGKSA-N 1 0 249.358 1.063 10 0 BDAERO CCNC(=O)C[NH2+]CCc1ccc(F)cc1 ZINC000020041466 170064436 /nfs/dbraw/zinc/06/44/36/170064436.db2.gz HLWMXLSMUJEIRB-UHFFFAOYSA-N 1 0 224.279 1.094 10 0 BDAERO CCNC(=O)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000035134231 170065023 /nfs/dbraw/zinc/06/50/23/170065023.db2.gz BXIDKHNRCRUANY-UHFFFAOYSA-N 1 0 236.315 1.235 10 0 BDAERO CCNC(=O)COc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629458 170067402 /nfs/dbraw/zinc/06/74/02/170067402.db2.gz UMLAFZVOHGXKKE-SNVBAGLBSA-N 1 0 236.315 1.530 10 0 BDAERO CCNC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000302433381 170075122 /nfs/dbraw/zinc/07/51/22/170075122.db2.gz SPDBFIJIRBIKPR-OLZOCXBDSA-N 1 0 247.342 1.390 10 0 BDAERO C[N@@H+](Cc1cn[nH]c1)C[C@@H]1CCC[C@H](O)C1 ZINC000660091289 411536286 /nfs/dbraw/zinc/53/62/86/411536286.db2.gz HKSNCEZNDOAKIY-PWSUYJOCSA-N 1 0 223.320 1.393 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@H](CC)C(C)(C)C ZINC000336766208 170096013 /nfs/dbraw/zinc/09/60/13/170096013.db2.gz RLMDOTXKQSSEIO-VHSXEESVSA-N 1 0 214.353 1.925 10 0 BDAERO CCNC(=O)[C@H](C)Oc1cccc(CC[NH3+])c1 ZINC000037721316 170096810 /nfs/dbraw/zinc/09/68/10/170096810.db2.gz IRNQVSCAWPRBNX-JTQLQIEISA-N 1 0 236.315 1.091 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1ccc(C)cc1 ZINC000076616811 170097642 /nfs/dbraw/zinc/09/76/42/170097642.db2.gz BHHGRAAHNZAWCE-CYBMUJFWSA-N 1 0 234.343 1.954 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCOC[C@H]1CC ZINC000061289747 170106800 /nfs/dbraw/zinc/10/68/00/170106800.db2.gz JXHWGRACNYCSMV-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]C(C)(C)c1nc(-c2ccncc2)no1 ZINC000061151318 170107029 /nfs/dbraw/zinc/10/70/29/170107029.db2.gz LESDHNSTGLMYMR-UHFFFAOYSA-N 1 0 232.287 1.976 10 0 BDAERO CC[NH2+]C1CCC(N2C(=O)C[C@@H](C)C2=O)CC1 ZINC000103103770 170108154 /nfs/dbraw/zinc/10/81/54/170108154.db2.gz CCRCUTBKYPCHJP-KPPDAEKUSA-N 1 0 238.331 1.302 10 0 BDAERO CC[NH2+]CCC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000061287692 170111535 /nfs/dbraw/zinc/11/15/35/170111535.db2.gz SJUQLQODAZTUDQ-QWRGUYRKSA-N 1 0 212.337 1.491 10 0 BDAERO CC[NH2+]CCC(=O)NC1(CO)CCC(C)CC1 ZINC000061299497 170111958 /nfs/dbraw/zinc/11/19/58/170111958.db2.gz BBMJBNCRTOOPBB-UHFFFAOYSA-N 1 0 242.363 1.043 10 0 BDAERO CC[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1C ZINC000061290591 170112038 /nfs/dbraw/zinc/11/20/38/170112038.db2.gz RWZVJSNBLRSQNB-UHFFFAOYSA-N 1 0 249.358 1.999 10 0 BDAERO CC[NH2+]CCCc1nnc(-c2cccnc2)o1 ZINC000050616872 170113593 /nfs/dbraw/zinc/11/35/93/170113593.db2.gz WAASBNCRXUDLHM-UHFFFAOYSA-N 1 0 232.287 1.674 10 0 BDAERO CC[NH2+]CC[C@H](O)c1ccc(OC)c(N)c1 ZINC000098124951 170117125 /nfs/dbraw/zinc/11/71/25/170117125.db2.gz KIABJISMHYDSCL-NSHDSACASA-N 1 0 224.304 1.310 10 0 BDAERO CC[NH2+]CC[C@@H](O)c1ccccc1OC ZINC000049814564 170117615 /nfs/dbraw/zinc/11/76/15/170117615.db2.gz WHMSIPCIPHBFHT-LLVKDONJSA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]CCc1nc2c(cccc2F)n1C ZINC000051784330 170118173 /nfs/dbraw/zinc/11/81/73/170118173.db2.gz VNYABLNAAWVZFF-UHFFFAOYSA-N 1 0 221.279 1.864 10 0 BDAERO CC[NH2+]CCn1cc(Br)cn1 ZINC000042302776 170118281 /nfs/dbraw/zinc/11/82/81/170118281.db2.gz OEUBDNPKPFGBOA-UHFFFAOYSA-N 1 0 218.098 1.255 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1ccc(OC)c(Cl)c1 ZINC000071558198 170119330 /nfs/dbraw/zinc/11/93/30/170119330.db2.gz WFBZPZJCOOIUJY-JTQLQIEISA-N 1 0 243.734 1.862 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1C ZINC000032101456 170119350 /nfs/dbraw/zinc/11/93/50/170119350.db2.gz DPHGBAKHWZBPPR-LLVKDONJSA-N 1 0 243.734 1.998 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000033465475 170119415 /nfs/dbraw/zinc/11/94/15/170119415.db2.gz XHVHUSVSXBYZIS-CYBMUJFWSA-N 1 0 235.327 1.525 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1nc(C)cc(C)n1 ZINC000061228545 170119513 /nfs/dbraw/zinc/11/95/13/170119513.db2.gz SEYCCELBRGTRMM-MRVPVSSYSA-N 1 0 236.319 1.278 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1c1nccn1C ZINC000053698424 170119897 /nfs/dbraw/zinc/11/98/97/170119897.db2.gz SSEWQCPPPPTIEB-NSHDSACASA-N 1 0 222.336 1.389 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1nccs1 ZINC000053696567 170120022 /nfs/dbraw/zinc/12/00/22/170120022.db2.gz TUEKRNKEYVFHFS-VIFPVBQESA-N 1 0 211.334 1.721 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc(OC)c(C)c1OC ZINC000071549508 170120180 /nfs/dbraw/zinc/12/01/80/170120180.db2.gz XPMDQVIHCNOONB-LLVKDONJSA-N 1 0 239.315 1.655 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1cc(C)ncn1 ZINC000053696958 170120218 /nfs/dbraw/zinc/12/02/18/170120218.db2.gz RWYACXLIHMEFKG-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1ccc(F)cc1F ZINC000055032907 170121078 /nfs/dbraw/zinc/12/10/78/170121078.db2.gz ZOJBZFGVMGYEBN-LLVKDONJSA-N 1 0 215.243 1.782 10 0 BDAERO CC[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000055027882 170121179 /nfs/dbraw/zinc/12/11/79/170121179.db2.gz QWVJVTQXGARRBQ-ZDUSSCGKSA-N 1 0 205.301 1.820 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)OC[C@H]1CC ZINC000061229918 170121727 /nfs/dbraw/zinc/12/17/27/170121727.db2.gz WDWCANUZEQJKAM-QJPTWQEYSA-N 1 0 242.363 1.258 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000061230289 170121769 /nfs/dbraw/zinc/12/17/69/170121769.db2.gz QPSKBZGLVPNYGG-NSHDSACASA-N 1 0 249.358 1.937 10 0 BDAERO CC[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000032014555 170122277 /nfs/dbraw/zinc/12/22/77/170122277.db2.gz MBNNBXIKGRJYEY-LBPRGKRZSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@]1(O)CCCc2ccccc21 ZINC000055027879 170123309 /nfs/dbraw/zinc/12/33/09/170123309.db2.gz QWVJVTQXGARRBQ-CYBMUJFWSA-N 1 0 205.301 1.820 10 0 BDAERO CC[NH2+]Cc1c(-n2cccn2)nc2sccn12 ZINC000035430355 170123448 /nfs/dbraw/zinc/12/34/48/170123448.db2.gz IXOCDKASVBVMAZ-UHFFFAOYSA-N 1 0 247.327 1.691 10 0 BDAERO CC[NH2+]Cc1c(-n2cncn2)nc2ccccn21 ZINC000035449746 170123879 /nfs/dbraw/zinc/12/38/79/170123879.db2.gz QGSCGXVSVYAHCW-UHFFFAOYSA-N 1 0 242.286 1.025 10 0 BDAERO CC[NH2+]Cc1c(Cl)ncnc1Cl ZINC000083344558 170124330 /nfs/dbraw/zinc/12/43/30/170124330.db2.gz CRTODQXKUDIQPE-UHFFFAOYSA-N 1 0 206.076 1.893 10 0 BDAERO CC[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000037374884 170124440 /nfs/dbraw/zinc/12/44/40/170124440.db2.gz UTQYAMOHUVVQST-UHFFFAOYSA-N 1 0 225.288 1.822 10 0 BDAERO CC[NH2+]Cc1c(C)nn(C)c1-n1ccc(C)n1 ZINC000052884752 170124451 /nfs/dbraw/zinc/12/44/51/170124451.db2.gz NIEPQJKRDCLOGW-UHFFFAOYSA-N 1 0 233.319 1.332 10 0 BDAERO CC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H]1C ZINC000037911800 170124499 /nfs/dbraw/zinc/12/44/99/170124499.db2.gz PYWPLFSMHUUIDD-JTQLQIEISA-N 1 0 236.363 1.827 10 0 BDAERO CC[NH2+]Cc1ccoc1CN1CCO[C@H](C)C1 ZINC000052382332 170129279 /nfs/dbraw/zinc/12/92/79/170129279.db2.gz CJXZIVNJYPJVLU-LLVKDONJSA-N 1 0 238.331 1.610 10 0 BDAERO CC[NH2+]Cc1ccoc1CN1CCO[C@@H](C)C1 ZINC000052382334 170129736 /nfs/dbraw/zinc/12/97/36/170129736.db2.gz CJXZIVNJYPJVLU-NSHDSACASA-N 1 0 238.331 1.610 10 0 BDAERO CC[NH2+]Cc1nnnn1C1(C)CCCCC1 ZINC000054747635 170131373 /nfs/dbraw/zinc/13/13/73/170131373.db2.gz LMRCSNOWERVVQV-UHFFFAOYSA-N 1 0 223.324 1.462 10 0 BDAERO CC[NH2+]Cc1nccn1CCc1ccncc1 ZINC000051004818 170131714 /nfs/dbraw/zinc/13/17/14/170131714.db2.gz ZXEACGZDJIFUMW-UHFFFAOYSA-N 1 0 230.315 1.630 10 0 BDAERO CCNS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000021810508 170136827 /nfs/dbraw/zinc/13/68/27/170136827.db2.gz REPUCXQSGASHTQ-QMMMGPOBSA-N 1 0 228.317 1.005 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@@H]1CCCO ZINC000061274748 170138694 /nfs/dbraw/zinc/13/86/94/170138694.db2.gz HNPGSCJTRQYQSJ-NWDGAFQWSA-N 1 0 242.363 1.138 10 0 BDAERO CC[NH2+][C@@H](C)CN(C)C1CCOCC1 ZINC000043898424 170139227 /nfs/dbraw/zinc/13/92/27/170139227.db2.gz ONBFTJDWXZDVRX-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+][C@@H](C)CN1C(=O)CC(C)(C)CC1=O ZINC000061828108 170139262 /nfs/dbraw/zinc/13/92/62/170139262.db2.gz BGQQXFYEPYQXOQ-VIFPVBQESA-N 1 0 226.320 1.160 10 0 BDAERO CC[NH2+][C@@H](CCO)c1cccc2c1OCCO2 ZINC000095091362 170144593 /nfs/dbraw/zinc/14/45/93/170144593.db2.gz DUGVGQBFVVTFJR-NSHDSACASA-N 1 0 237.299 1.491 10 0 BDAERO CC[NH2+][C@@H](CC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443507 170145380 /nfs/dbraw/zinc/14/53/80/170145380.db2.gz AODWTWXIYMBVQV-TUAOUCFPSA-N 1 0 242.363 1.702 10 0 BDAERO CC[NH2+][C@@H](c1nccs1)[C@H]1CCOC1 ZINC000041060935 170149732 /nfs/dbraw/zinc/14/97/32/170149732.db2.gz NYLFAASNFHOHAO-DTWKUNHWSA-N 1 0 212.318 1.830 10 0 BDAERO CC[NH2+][C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC000042821655 170151226 /nfs/dbraw/zinc/15/12/26/170151226.db2.gz UYRHPHZYMHFWBP-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+][C@@H]1CCN(CCc2ccccn2)C[C@@H]1C ZINC000049712379 170151783 /nfs/dbraw/zinc/15/17/83/170151783.db2.gz PWQBIBVSFBQMMU-DZGCQCFKSA-N 1 0 247.386 1.944 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccccc2F)C1=O ZINC000049647643 170152359 /nfs/dbraw/zinc/15/23/59/170152359.db2.gz BOEXERHYLGACBH-GFCCVEGCSA-N 1 0 236.290 1.536 10 0 BDAERO CC[NH2+][C@@H]1CCS(=O)(=O)c2c(C)cccc21 ZINC000037665995 170152596 /nfs/dbraw/zinc/15/25/96/170152596.db2.gz XJFDKSCZCZWSKD-LLVKDONJSA-N 1 0 239.340 1.823 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000049647667 170152620 /nfs/dbraw/zinc/15/26/20/170152620.db2.gz HFOVOUJXDJFDAW-SNVBAGLBSA-N 1 0 222.263 1.541 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cccc(OC)c2)C1=O ZINC000049647917 170152844 /nfs/dbraw/zinc/15/28/44/170152844.db2.gz MOMJIQPLWGCWQS-GFCCVEGCSA-N 1 0 234.299 1.410 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000037242108 170152853 /nfs/dbraw/zinc/15/28/53/170152853.db2.gz CDAPOBVIHIYYSZ-LLVKDONJSA-N 1 0 220.316 1.883 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)Nc1nc2ccccc2[nH]1 ZINC000104117648 170156769 /nfs/dbraw/zinc/15/67/69/170156769.db2.gz ZYOFMGAEZAQTJF-SECBINFHSA-N 1 0 246.314 1.890 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N(C)C1CCCC1 ZINC000061269448 170156835 /nfs/dbraw/zinc/15/68/35/170156835.db2.gz ROIRZHITWKOBQS-SNVBAGLBSA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+][C@H](C)Cc1nnc2n1CCCCC2 ZINC000061212763 170158263 /nfs/dbraw/zinc/15/82/63/170158263.db2.gz FFPATYKIFXFJHM-SNVBAGLBSA-N 1 0 222.336 1.545 10 0 BDAERO CC[NH2+][C@H](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000111679556 170158643 /nfs/dbraw/zinc/15/86/43/170158643.db2.gz FXGHLYDXKATYDT-SNVBAGLBSA-N 1 0 246.314 1.981 10 0 BDAERO CC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000035549941 170158871 /nfs/dbraw/zinc/15/88/71/170158871.db2.gz GRMMEVXFUVUDLV-MRVPVSSYSA-N 1 0 204.273 1.852 10 0 BDAERO CC[NH2+][C@H](C)c1cccc(NC(N)=O)c1 ZINC000035645621 170160094 /nfs/dbraw/zinc/16/00/94/170160094.db2.gz TUISBCUOJMMMAJ-MRVPVSSYSA-N 1 0 207.277 1.848 10 0 BDAERO CC[NH2+][C@H](C)c1cnc(N(C)C)nc1C ZINC000054962935 170160236 /nfs/dbraw/zinc/16/02/36/170160236.db2.gz RKNGWQFUUIWFCH-MRVPVSSYSA-N 1 0 208.309 1.522 10 0 BDAERO CC[NH2+][C@H](C)c1nnc(-c2cccnc2)o1 ZINC000050618654 170160372 /nfs/dbraw/zinc/16/03/72/170160372.db2.gz WMEFDTNWVPVCSI-MRVPVSSYSA-N 1 0 218.260 1.802 10 0 BDAERO CC[NH2+][C@H](CO)c1cc(F)c(F)c(F)c1 ZINC000062720487 170162420 /nfs/dbraw/zinc/16/24/20/170162420.db2.gz OAJHCWNEWCTTIA-SECBINFHSA-N 1 0 219.206 1.747 10 0 BDAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccco1 ZINC000035555455 170164759 /nfs/dbraw/zinc/16/47/59/170164759.db2.gz DJHBTSALSGHLGM-LLVKDONJSA-N 1 0 205.261 1.712 10 0 BDAERO CC[NH2+][C@H]1CCCCC[C@@H]1n1cncn1 ZINC000043991416 170165732 /nfs/dbraw/zinc/16/57/32/170165732.db2.gz HZFUFOKCPFJQMS-QWRGUYRKSA-N 1 0 208.309 1.761 10 0 BDAERO CC[NH2+][C@H]1CCCS(=O)(=O)c2ccccc21 ZINC000035760533 170166909 /nfs/dbraw/zinc/16/69/09/170166909.db2.gz OHFOKWJELREMDW-NSHDSACASA-N 1 0 239.340 1.905 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1CN1CCOC(C)(C)C1 ZINC000053868242 170166985 /nfs/dbraw/zinc/16/69/85/170166985.db2.gz WPHGTBHOSBYXEQ-STQMWFEESA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@H]1CCN(CC2CCCCC2)C1=O ZINC000049648090 170167331 /nfs/dbraw/zinc/16/73/31/170167331.db2.gz DHQWPOCIGZLVKN-LBPRGKRZSA-N 1 0 224.348 1.777 10 0 BDAERO CCN[C@H]1c2cc(F)ccc2S(=O)(=O)[C@H]1C ZINC000043636330 170169997 /nfs/dbraw/zinc/16/99/97/170169997.db2.gz XYKJREPMPZVFQB-WRWORJQWSA-N 1 0 243.303 1.652 10 0 BDAERO CCOC(=O)C(F)(F)C[C@@H]([NH3+])C(C)C ZINC000091691011 170187923 /nfs/dbraw/zinc/18/79/23/170187923.db2.gz UNFRCMBUACWLCR-SSDOTTSWSA-N 1 0 209.236 1.558 10 0 BDAERO CCOC(=O)CNCC[NH+](C(C)C)C(C)C ZINC000020039502 170225770 /nfs/dbraw/zinc/22/57/70/170225770.db2.gz WAMGOYTVARZFTB-UHFFFAOYSA-N 1 0 230.352 1.258 10 0 BDAERO CCOC(=O)COc1ccccc1C[C@@H](C)[NH3+] ZINC000037724352 170229454 /nfs/dbraw/zinc/22/94/54/170229454.db2.gz HWOLZCBPHGSLRY-SNVBAGLBSA-N 1 0 237.299 1.518 10 0 BDAERO CCOC(=O)N(CC[NH3+])Cc1cccs1 ZINC000253565394 170238487 /nfs/dbraw/zinc/23/84/87/170238487.db2.gz HRCDFCWZYCBSIQ-UHFFFAOYSA-N 1 0 228.317 1.665 10 0 BDAERO CCOC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917502 170239099 /nfs/dbraw/zinc/23/90/99/170239099.db2.gz IYPSWNYMFBWIMD-MNOVXSKESA-N 1 0 226.320 1.607 10 0 BDAERO CCOC(=O)NC[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062037348 170242605 /nfs/dbraw/zinc/24/26/05/170242605.db2.gz HIGWAIOCWGYROK-IUCAKERBSA-N 1 0 200.282 1.121 10 0 BDAERO CCOC(=O)[C@@H](CC[N@@H+]1CCC[C@H](C)C1)NC ZINC000062440992 170250895 /nfs/dbraw/zinc/25/08/95/170250895.db2.gz RQFXAPIKIZMRPB-NWDGAFQWSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])Cc1ccc(F)cc1C ZINC000050568811 170251495 /nfs/dbraw/zinc/25/14/95/170251495.db2.gz IJHPHRPZKYSRMS-LLVKDONJSA-N 1 0 239.290 1.815 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])Cc1ccc(C)cn1 ZINC000076160194 170251693 /nfs/dbraw/zinc/25/16/93/170251693.db2.gz VLYIGLXHEJOZND-SNVBAGLBSA-N 1 0 222.288 1.071 10 0 BDAERO CCOC(=O)[C@@](C)(CC(C)C)NCC[NH+](C)C ZINC000037965037 170260680 /nfs/dbraw/zinc/26/06/80/170260680.db2.gz SMOIIEVZROGNNR-CYBMUJFWSA-N 1 0 244.379 1.506 10 0 BDAERO CCOC(=O)[C@H](C)C[NH2+]Cc1ccc(C)nc1 ZINC000062052997 170264976 /nfs/dbraw/zinc/26/49/76/170264976.db2.gz HKGFQCJTIQYYEW-SNVBAGLBSA-N 1 0 236.315 1.679 10 0 BDAERO CCOC(=O)[C@H](CC)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000124395117 170271567 /nfs/dbraw/zinc/27/15/67/170271567.db2.gz DSNWMYZAGFCZQT-SDDRHHMPSA-N 1 0 242.363 1.210 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])Cc1ccc(C)cn1 ZINC000076160193 170273488 /nfs/dbraw/zinc/27/34/88/170273488.db2.gz VLYIGLXHEJOZND-JTQLQIEISA-N 1 0 222.288 1.071 10 0 BDAERO CCOC(=O)c1ccc(NN2CC[NH2+]CC2)cc1 ZINC000098180649 170296929 /nfs/dbraw/zinc/29/69/29/170296929.db2.gz PVMXFABPPYVKLQ-UHFFFAOYSA-N 1 0 249.314 1.095 10 0 BDAERO CCOCCCC[NH2+]CCN1CCCOCC1 ZINC000061936573 170369548 /nfs/dbraw/zinc/36/95/48/170369548.db2.gz FDLSWYPEURGKNY-UHFFFAOYSA-N 1 0 244.379 1.115 10 0 BDAERO CCOCCCNC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000019503974 170378754 /nfs/dbraw/zinc/37/87/54/170378754.db2.gz JXDMLIARHUGDHL-MNOVXSKESA-N 1 0 228.336 1.060 10 0 BDAERO CCOCCC[NH2+]C[C@@H](C)N1CCCOCC1 ZINC000061936640 170380644 /nfs/dbraw/zinc/38/06/44/170380644.db2.gz JOBYPVPABWGWLH-CYBMUJFWSA-N 1 0 244.379 1.113 10 0 BDAERO CCOCCCn1cnnc1[C@@H]1CCC[NH2+]1 ZINC000098124953 170385601 /nfs/dbraw/zinc/38/56/01/170385601.db2.gz UJSOTERTXXAHII-JTQLQIEISA-N 1 0 224.308 1.129 10 0 BDAERO CCOCCN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000127362199 170387720 /nfs/dbraw/zinc/38/77/20/170387720.db2.gz KXXDHNKATXUXDO-UHFFFAOYSA-N 1 0 236.315 1.254 10 0 BDAERO CCOCCN1CC[N@@H+](C(C)C)C[C@H]1CC ZINC000105914970 170399394 /nfs/dbraw/zinc/39/93/94/170399394.db2.gz YTHNDSOUQNHLCW-CYBMUJFWSA-N 1 0 228.380 1.828 10 0 BDAERO CC[N@@H+]1CCCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616654010 411629981 /nfs/dbraw/zinc/62/99/81/411629981.db2.gz JAJROBMRVVVHOD-SNVBAGLBSA-N 1 0 208.309 1.696 10 0 BDAERO CCOCC[NH2+]C[C@@H](O)CO[C@@H](C)CC(C)C ZINC000037892864 170411317 /nfs/dbraw/zinc/41/13/17/170411317.db2.gz AZYMDTSIMZCWSW-QWHCGFSZSA-N 1 0 247.379 1.425 10 0 BDAERO OCC1CC([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000663375917 411640909 /nfs/dbraw/zinc/64/09/09/411640909.db2.gz XJFPDZHEESASTH-BPCQOVAHSA-N 1 0 227.348 1.288 10 0 BDAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)s1 ZINC000657693966 411579728 /nfs/dbraw/zinc/57/97/28/411579728.db2.gz HPFMTBYQVHARDE-SNVBAGLBSA-N 1 0 238.356 1.624 10 0 BDAERO Cc1ccccc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657695246 411581040 /nfs/dbraw/zinc/58/10/40/411581040.db2.gz WUOQSFCLHZXSLE-GFCCVEGCSA-N 1 0 232.327 1.563 10 0 BDAERO CCC[C@H](C)C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657694565 411581095 /nfs/dbraw/zinc/58/10/95/411581095.db2.gz GADGCUFGLAGACE-QWRGUYRKSA-N 1 0 212.337 1.491 10 0 BDAERO Cc1sccc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696261 411581295 /nfs/dbraw/zinc/58/12/95/411581295.db2.gz TYZFOGFLXMLTJG-JTQLQIEISA-N 1 0 238.356 1.624 10 0 BDAERO CN1C[C@H](C[NH2+]C[C@@H]2CC=CCC2)CC1=O ZINC000657695303 411581313 /nfs/dbraw/zinc/58/13/13/411581313.db2.gz XQIYPPZXEJNDLO-NEPJUHHUSA-N 1 0 222.332 1.411 10 0 BDAERO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657698344 411581789 /nfs/dbraw/zinc/58/17/89/411581789.db2.gz VXOAIQOGTGHNBO-VWYCJHECSA-N 1 0 210.321 1.243 10 0 BDAERO CC1CCC(C[NH2+]C[C@@H]2CC(=O)N(C)C2)CC1 ZINC000657696935 411581829 /nfs/dbraw/zinc/58/18/29/411581829.db2.gz XRXGPWKMKHQADU-BPCQOVAHSA-N 1 0 238.375 1.881 10 0 BDAERO COc1c(C[NH2+][C@@H]2C[C@]2(C)OC)c(C)nn1C ZINC000657788937 411596934 /nfs/dbraw/zinc/59/69/34/411596934.db2.gz ZNXOIIYVIXOGLX-PWSUYJOCSA-N 1 0 239.319 1.004 10 0 BDAERO OCC1CC([NH2+]Cc2ccccc2F)C1 ZINC000657808129 411600957 /nfs/dbraw/zinc/60/09/57/411600957.db2.gz BKGKRAMKDYCEJY-UHFFFAOYSA-N 1 0 209.264 1.686 10 0 BDAERO OCC1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000657808099 411601030 /nfs/dbraw/zinc/60/10/30/411601030.db2.gz BAIQDSWYXAFMPE-UHFFFAOYSA-N 1 0 209.264 1.686 10 0 BDAERO CC(C)O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000660897990 411664086 /nfs/dbraw/zinc/66/40/86/411664086.db2.gz SJCDQJYUIVWBDD-IJLUTSLNSA-N 1 0 213.321 1.399 10 0 BDAERO CCOc1ccc([C@@H](O)C(C)(C)[NH3+])cc1 ZINC000019684249 170558918 /nfs/dbraw/zinc/55/89/18/170558918.db2.gz MIVVDNIGOKQAJZ-LLVKDONJSA-N 1 0 209.289 1.856 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661205094 411732989 /nfs/dbraw/zinc/73/29/89/411732989.db2.gz PAEXZCWWPNESBP-CRWXNKLISA-N 1 0 238.375 1.173 10 0 BDAERO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000075418282 170621702 /nfs/dbraw/zinc/62/17/02/170621702.db2.gz HEINZTVNEBSZCJ-CMPLNLGQSA-N 1 0 241.356 1.818 10 0 BDAERO C[C@@H]1C[NH+](C[C@@H]2CCC[C@@H](O)C2)C[C@@H](C)C1=O ZINC000661538374 411798715 /nfs/dbraw/zinc/79/87/15/411798715.db2.gz ISYZXDOARIGZMQ-FDYHWXHSSA-N 1 0 239.359 1.694 10 0 BDAERO OC[C@H]1COCC[N@@H+]1CCCC1CCC1 ZINC000661561616 411803701 /nfs/dbraw/zinc/80/37/01/411803701.db2.gz MUZHZZIEBJTAPV-LBPRGKRZSA-N 1 0 213.321 1.260 10 0 BDAERO Cn1c2ccccc2nc1NCCOCCC[NH3+] ZINC000630537054 411833669 /nfs/dbraw/zinc/83/36/69/411833669.db2.gz ITBULNXVKVTOCY-UHFFFAOYSA-N 1 0 248.330 1.351 10 0 BDAERO CC[C@@H](C[NH3+])CC(=O)NCc1ccncc1 ZINC000076610712 170821837 /nfs/dbraw/zinc/82/18/37/170821837.db2.gz ARBAVPGQTSWKIA-SNVBAGLBSA-N 1 0 221.304 1.073 10 0 BDAERO CC[C@@H](C[NH3+])Sc1nnnn1-c1ccccc1 ZINC000043542536 170822096 /nfs/dbraw/zinc/82/20/96/170822096.db2.gz SZRKVXQNAYGQHZ-JTQLQIEISA-N 1 0 249.343 1.492 10 0 BDAERO CCOc1cc(NC[C@H]2CC[NH2+]C2)nc(C)n1 ZINC000133771009 411940234 /nfs/dbraw/zinc/94/02/34/411940234.db2.gz DQASVAXQXCAVCI-JTQLQIEISA-N 1 0 236.319 1.205 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccnc(N)c1 ZINC000616596943 411869074 /nfs/dbraw/zinc/86/90/74/411869074.db2.gz LHXSXHZHAHZTNY-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)[N@@H+]1CCC[C@H](c2c[nH]nc2N)C1 ZINC000616617945 411872200 /nfs/dbraw/zinc/87/22/00/411872200.db2.gz NKJKEMAZNQDIFS-VIFPVBQESA-N 1 0 208.309 1.580 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2ccnc(N)c2)CC1 ZINC000616684039 411872475 /nfs/dbraw/zinc/87/24/75/411872475.db2.gz AMRZVGSTAYGPQT-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](n2ccc(N)n2)C1 ZINC000616652709 411872793 /nfs/dbraw/zinc/87/27/93/411872793.db2.gz IZNVYNMCLILVOG-LLVKDONJSA-N 1 0 224.308 1.095 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(N(C)C)cc1 ZINC000036779501 170868113 /nfs/dbraw/zinc/86/81/13/170868113.db2.gz QQESSUHHGIZEAD-VXGBXAGGSA-N 1 0 208.305 1.523 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1ccc2c(c1)OCCO2 ZINC000032014435 170868148 /nfs/dbraw/zinc/86/81/48/170868148.db2.gz IRVUCYIKUSEMAA-BXKDBHETSA-N 1 0 223.272 1.229 10 0 BDAERO CC[C@@H]([NH2+]CCn1cncn1)C(C)(C)C ZINC000308916578 170897888 /nfs/dbraw/zinc/89/78/88/170897888.db2.gz GCJISBONGCHHQI-SNVBAGLBSA-N 1 0 210.325 1.692 10 0 BDAERO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)C(C)(C)C ZINC000133933345 412010975 /nfs/dbraw/zinc/01/09/75/412010975.db2.gz PSNSQDXLPRYFNV-SKDRFNHKSA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)Oc1cncc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000133802214 411961933 /nfs/dbraw/zinc/96/19/33/411961933.db2.gz YFGZVRMNBSYRFM-SNVBAGLBSA-N 1 0 236.319 1.285 10 0 BDAERO CC[C@@H](c1nc(-c2ccncc2)no1)[C@@H](C)[NH3+] ZINC000110444743 170956889 /nfs/dbraw/zinc/95/68/89/170956889.db2.gz HERPIYJAWICSCZ-PSASIEDQSA-N 1 0 232.287 1.972 10 0 BDAERO CC[C@@H]1CCN(C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000042824607 171012746 /nfs/dbraw/zinc/01/27/46/171012746.db2.gz JRWKLLMMFDALJW-OLZOCXBDSA-N 1 0 226.364 1.629 10 0 BDAERO CC[C@@H]1CCc2[nH]c(=O)c(C[NH3+])cc2C1 ZINC000043404635 171060214 /nfs/dbraw/zinc/06/02/14/171060214.db2.gz KZEJXHOQLNXLTH-MRVPVSSYSA-N 1 0 206.289 1.349 10 0 BDAERO CC[C@@H]1CN(c2nnc(C)s2)[C@H](CC)C[NH2+]1 ZINC000083368664 171099220 /nfs/dbraw/zinc/09/92/20/171099220.db2.gz DYDKIMMQCCTUSG-NXEZZACHSA-N 1 0 240.376 1.813 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc[nH]1 ZINC000174992428 171099281 /nfs/dbraw/zinc/09/92/81/171099281.db2.gz RXOWFBSSNZHHFL-VXGBXAGGSA-N 1 0 247.342 1.714 10 0 BDAERO CC[C@@H]1CN[C@@H](C)C[N@@H+]1CCCn1ccnc1 ZINC000083364160 171101576 /nfs/dbraw/zinc/10/15/76/171101576.db2.gz YVSWLSUWXDHLDQ-QWHCGFSZSA-N 1 0 236.363 1.346 10 0 BDAERO CC[C@@H]1COCCN1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062854368 171104729 /nfs/dbraw/zinc/10/47/29/171104729.db2.gz SAJJTROLNFFZJD-YPMHNXCESA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(C)(C)O ZINC000042451441 171110574 /nfs/dbraw/zinc/11/05/74/171110574.db2.gz LZNKFOCEXKYVIW-VHSXEESVSA-N 1 0 201.310 1.257 10 0 BDAERO CC[C@@H]1[C@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000082383127 171162763 /nfs/dbraw/zinc/16/27/63/171162763.db2.gz BLZWLQUJBOAUOJ-HTQZYQBOSA-N 1 0 200.282 1.343 10 0 BDAERO CC[C@@](C)([NH2+]C1CCCCCC1)C(N)=O ZINC000037970696 171174494 /nfs/dbraw/zinc/17/44/94/171174494.db2.gz MMVCQNFMJVVFIH-GFCCVEGCSA-N 1 0 212.337 1.953 10 0 BDAERO CC[C@@](C)(O)CN1CC[NH+](CC(C)C)CC1 ZINC000119416756 171177073 /nfs/dbraw/zinc/17/70/73/171177073.db2.gz SLSDNQXUNZEWNG-CYBMUJFWSA-N 1 0 228.380 1.421 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000123482754 171177905 /nfs/dbraw/zinc/17/79/05/171177905.db2.gz XMCAPGUUVIXYES-CYBMUJFWSA-N 1 0 237.347 1.750 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000119427408 171178175 /nfs/dbraw/zinc/17/81/75/171178175.db2.gz WECMQBFORVGJQW-CHWSQXEVSA-N 1 0 226.364 1.318 10 0 BDAERO CC[C@@](F)(C[NH2+]C1CCCC1)C(=O)OC ZINC000095803889 171192912 /nfs/dbraw/zinc/19/29/12/171192912.db2.gz BJPYNQICAVYDJR-LLVKDONJSA-N 1 0 217.284 1.810 10 0 BDAERO CC[C@@](O)(C[NH3+])c1cc(F)ccc1F ZINC000036157374 171194393 /nfs/dbraw/zinc/19/43/93/171194393.db2.gz LNAXPCGVOZPMAG-SNVBAGLBSA-N 1 0 201.216 1.521 10 0 BDAERO CC[C@@]1(C)C[C@]2(CCS1)C[NH2+]CCN2 ZINC000039393177 171208434 /nfs/dbraw/zinc/20/84/34/171208434.db2.gz XCIXVAUMIGROCR-WDEREUQCSA-N 1 0 214.378 1.614 10 0 BDAERO CC[C@H](C)C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000233989745 171249471 /nfs/dbraw/zinc/24/94/71/171249471.db2.gz BMCKDOAYYZXFKH-GARJFASQSA-N 1 0 212.337 1.618 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000123772954 171283112 /nfs/dbraw/zinc/28/31/12/171283112.db2.gz MJOXSKOSCONCHJ-MELADBBJSA-N 1 0 240.391 1.685 10 0 BDAERO CC[C@H](C)C[NH2+][C@H]1CCc2nccn2C1 ZINC000368424380 171287900 /nfs/dbraw/zinc/28/79/00/171287900.db2.gz JMWWVXFPBKFFFN-QWRGUYRKSA-N 1 0 207.321 1.834 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+]CC1CCOCC1 ZINC000052172231 171322657 /nfs/dbraw/zinc/32/26/57/171322657.db2.gz HOQROCBBAGAEMU-NSHDSACASA-N 1 0 242.363 1.307 10 0 BDAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])c1ccccn1 ZINC000076618150 171327401 /nfs/dbraw/zinc/32/74/01/171327401.db2.gz RKICKRSDKXDKEK-WDEREUQCSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000037149153 171346479 /nfs/dbraw/zinc/34/64/79/171346479.db2.gz WVSIAKIMMLDDGZ-IUCAKERBSA-N 1 0 208.309 1.673 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CN1CCOC(C)(C)C1 ZINC000036232701 171372172 /nfs/dbraw/zinc/37/21/72/171372172.db2.gz NPLJBTRORFUSPC-QWRGUYRKSA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@H](C[NH3+])CC(=O)N1CCc2ccccc2C1 ZINC000076631647 171430361 /nfs/dbraw/zinc/43/03/61/171430361.db2.gz SHDXIKCESNDROE-LBPRGKRZSA-N 1 0 246.354 1.946 10 0 BDAERO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665243909 412186600 /nfs/dbraw/zinc/18/66/00/412186600.db2.gz AUUBCYMYSPNWSV-HBNTYKKESA-N 1 0 248.317 1.388 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000662396468 412145437 /nfs/dbraw/zinc/14/54/37/412145437.db2.gz CYKWUDMXMSUHRT-SDDRHHMPSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000662396467 412146065 /nfs/dbraw/zinc/14/60/65/412146065.db2.gz CYKWUDMXMSUHRT-QJPTWQEYSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1COCCO1)C(C)(C)C ZINC000308902898 171528552 /nfs/dbraw/zinc/52/85/52/171528552.db2.gz BRTFLXOCAGCXPW-QWRGUYRKSA-N 1 0 215.337 1.816 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](CC)C(C)C ZINC000662409039 412154364 /nfs/dbraw/zinc/15/43/64/412154364.db2.gz DTXKFZKCFDHYOQ-VHSXEESVSA-N 1 0 200.326 1.535 10 0 BDAERO CC[C@@H](NC(=O)[C@@H](CC)[NH2+]C)C(C)C ZINC000662409037 412154842 /nfs/dbraw/zinc/15/48/42/412154842.db2.gz DTXKFZKCFDHYOQ-NXEZZACHSA-N 1 0 200.326 1.535 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC(C)(C)F ZINC000662662378 412257014 /nfs/dbraw/zinc/25/70/14/412257014.db2.gz DROXJVJKOJEAMA-DTWKUNHWSA-N 1 0 218.316 1.614 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCCC(C)(C)F ZINC000662662328 412262304 /nfs/dbraw/zinc/26/23/04/412262304.db2.gz CMFLFUHRBRZKRI-MRVPVSSYSA-N 1 0 204.289 1.368 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000662705180 412276915 /nfs/dbraw/zinc/27/69/15/412276915.db2.gz NCLVCXAIIPXNEG-QCNOEVLYSA-N 1 0 222.332 1.243 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)c1ccccn1 ZINC000662606006 412237357 /nfs/dbraw/zinc/23/73/57/412237357.db2.gz OMZPNUISABRGFJ-NEPJUHHUSA-N 1 0 249.358 1.675 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccn1 ZINC000662606184 412237994 /nfs/dbraw/zinc/23/79/94/412237994.db2.gz PNCPWOPLVMTIAR-UTUOFQBUSA-N 1 0 247.342 1.429 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC(C)(C1CC1)C1CC1 ZINC000662914778 412343352 /nfs/dbraw/zinc/34/33/52/412343352.db2.gz FWCWIWQGZQVVRF-MRVPVSSYSA-N 1 0 210.321 1.289 10 0 BDAERO CCCOc1nccnc1NC[C@H]([NH3+])C1CC1 ZINC000630513040 412360158 /nfs/dbraw/zinc/36/01/58/412360158.db2.gz VAPCCRHDXKYXTI-JTQLQIEISA-N 1 0 236.319 1.415 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000662971113 412360924 /nfs/dbraw/zinc/36/09/24/412360924.db2.gz XVOKHKOLFRKWSY-LBPRGKRZSA-N 1 0 236.319 1.199 10 0 BDAERO CC(C)[C@H](C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662982586 412362440 /nfs/dbraw/zinc/36/24/40/412362440.db2.gz WDOXEAGDUDHBFU-YUMQZZPRSA-N 1 0 240.269 1.627 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](Nc2cc[nH]n2)C1 ZINC000616648721 412296319 /nfs/dbraw/zinc/29/63/19/412296319.db2.gz AKNVDVDXPQWUIJ-NSHDSACASA-N 1 0 224.308 1.278 10 0 BDAERO CC(C)[N@@H+]1CCC[C@H](Nc2cc[nH]n2)C1 ZINC000616617931 412296901 /nfs/dbraw/zinc/29/69/01/412296901.db2.gz NFHVMLFFSUMALH-JTQLQIEISA-N 1 0 208.309 1.694 10 0 BDAERO [NH3+]CCNc1nccc(Nc2ccccc2)n1 ZINC000409425621 412299459 /nfs/dbraw/zinc/29/94/59/412299459.db2.gz AUFODDPEKHCZJS-UHFFFAOYSA-N 1 0 229.287 1.591 10 0 BDAERO OCc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000133072032 412396476 /nfs/dbraw/zinc/39/64/76/412396476.db2.gz LARBZMHAECFYCG-UONOGXRCSA-N 1 0 235.327 1.572 10 0 BDAERO CCCc1nccnc1N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000663274839 412405658 /nfs/dbraw/zinc/40/56/58/412405658.db2.gz PYTSCNWBFAUISC-VXGBXAGGSA-N 1 0 248.374 1.850 10 0 BDAERO CCOc1cc(NCC23CC(C2)C[NH2+]3)nc(C)n1 ZINC000663275052 412405778 /nfs/dbraw/zinc/40/57/78/412405778.db2.gz AZSJRWABQRVOKK-UHFFFAOYSA-N 1 0 248.330 1.348 10 0 BDAERO CC(C)[C@H]([NH3+])CCNc1cn[nH]c(=O)c1Cl ZINC000663276225 412406826 /nfs/dbraw/zinc/40/68/26/412406826.db2.gz OEAYRGJNLXJWSV-SSDOTTSWSA-N 1 0 244.726 1.621 10 0 BDAERO CCc1ncnc(N[C@H](C)C[NH2+]C)c1F ZINC000663278137 412407777 /nfs/dbraw/zinc/40/77/77/412407777.db2.gz CUXZILYIASBWTR-SSDOTTSWSA-N 1 0 212.272 1.198 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nc(C2CC2)ns1 ZINC000663279491 412408638 /nfs/dbraw/zinc/40/86/38/412408638.db2.gz RKIBYGIGRTXANW-LURJTMIESA-N 1 0 212.322 1.435 10 0 BDAERO CCc1ccc(NC[C@@H](O)CC[NH3+])cc1 ZINC000071511339 171821097 /nfs/dbraw/zinc/82/10/97/171821097.db2.gz PIRNIGCJMLFGQT-LBPRGKRZSA-N 1 0 208.305 1.371 10 0 BDAERO CCc1ccc([C@H](CO)N2CC[NH2+]CC2)s1 ZINC000051721026 171841236 /nfs/dbraw/zinc/84/12/36/171841236.db2.gz STLDMHLSVNZXNG-NSHDSACASA-N 1 0 240.372 1.249 10 0 BDAERO CCc1ccc([C@H](C[NH3+])CC(=O)OC)cc1 ZINC000057513836 171842016 /nfs/dbraw/zinc/84/20/16/171842016.db2.gz LHSCBRNKSHXBBL-LBPRGKRZSA-N 1 0 221.300 1.854 10 0 BDAERO CCc1nnc([C@]2([NH3+])CCC[C@H](C)C2)[nH]1 ZINC000041036528 172008825 /nfs/dbraw/zinc/00/88/25/172008825.db2.gz JWFRFAMUQYOBPG-KWQFWETISA-N 1 0 208.309 1.731 10 0 BDAERO CCc1ncc(C[NH2+][C@@H]2CCO[C@H]2C)s1 ZINC000134528039 172019395 /nfs/dbraw/zinc/01/93/95/172019395.db2.gz CGBCTBXTPHNFRA-WCBMZHEXSA-N 1 0 226.345 1.973 10 0 BDAERO CCc1noc(-c2cccc(C[NH3+])c2)n1 ZINC000037716910 172072618 /nfs/dbraw/zinc/07/26/18/172072618.db2.gz KICPOSVOLCLKFL-UHFFFAOYSA-N 1 0 203.245 1.758 10 0 BDAERO CCc1noc([C@@]2([NH3+])CCC[C@H](C)C2)n1 ZINC000041035625 172090153 /nfs/dbraw/zinc/09/01/53/172090153.db2.gz NDUBZZUOXJPAIU-GZMMTYOYSA-N 1 0 209.293 1.996 10 0 BDAERO CCc1nsc(N[C@H]2CC[C@@H]([NH+](C)C)C2)n1 ZINC000301914926 172107440 /nfs/dbraw/zinc/10/74/40/172107440.db2.gz GBWRAFSXYIEVFP-DTWKUNHWSA-N 1 0 240.376 1.995 10 0 BDAERO CCc1nsc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC000003787833 172107885 /nfs/dbraw/zinc/10/78/85/172107885.db2.gz RTKRHFIPTZHVGQ-SECBINFHSA-N 1 0 223.345 1.910 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000309944997 172139381 /nfs/dbraw/zinc/13/93/81/172139381.db2.gz CZGGSWGTLQFEEA-WCBMZHEXSA-N 1 0 240.376 1.448 10 0 BDAERO CCn1c(C)nnc1CC[C@@H]1CCCC[NH2+]1 ZINC000050929681 172140042 /nfs/dbraw/zinc/14/00/42/172140042.db2.gz KEEWKIHXQVGPTO-NSHDSACASA-N 1 0 222.336 1.681 10 0 BDAERO CCn1c(CNCC[NH+](C)C)nc2ccccc21 ZINC000037979088 172144326 /nfs/dbraw/zinc/14/43/26/172144326.db2.gz MQRNQBZBIASKRO-UHFFFAOYSA-N 1 0 246.358 1.707 10 0 BDAERO CCn1cc(C[C@H]([NH3+])c2ccccn2)cn1 ZINC000050542431 172176652 /nfs/dbraw/zinc/17/66/52/172176652.db2.gz OXPZLICYNFIMFH-NSHDSACASA-N 1 0 216.288 1.541 10 0 BDAERO CCn1cc(C[C@H]([NH2+]C)c2ncccn2)cn1 ZINC000050542929 172176887 /nfs/dbraw/zinc/17/68/87/172176887.db2.gz YCKUQVMRJFUIJM-NSHDSACASA-N 1 0 231.303 1.196 10 0 BDAERO CCn1cc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cn1 ZINC000134242416 172193948 /nfs/dbraw/zinc/19/39/48/172193948.db2.gz FZFMFFHUEYPMTC-CKYFFXLPSA-N 1 0 223.320 1.731 10 0 BDAERO CCn1cc([C@@H]([NH3+])c2ncccc2C)cn1 ZINC000049850117 172195233 /nfs/dbraw/zinc/19/52/33/172195233.db2.gz CMZHLXKDYBZIAB-LLVKDONJSA-N 1 0 216.288 1.655 10 0 BDAERO CCn1cccc1C[NH2+]CC1(O)CCCC1 ZINC000085609984 172207587 /nfs/dbraw/zinc/20/75/87/172207587.db2.gz AXUMKCRXCHWSAH-UHFFFAOYSA-N 1 0 222.332 1.903 10 0 BDAERO CCn1cccc1C[NH2+]C(C)(C)CCO ZINC000125628199 172208132 /nfs/dbraw/zinc/20/81/32/172208132.db2.gz TYLNCUHNEUAGGC-UHFFFAOYSA-N 1 0 210.321 1.759 10 0 BDAERO CCn1ccnc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000344576831 172224184 /nfs/dbraw/zinc/22/41/84/172224184.db2.gz COZHQZVMJSZTHP-UHTWSYAYSA-N 1 0 249.358 1.806 10 0 BDAERO CCn1nc(C)c(CSCC[NH3+])c1C ZINC000002538334 172247766 /nfs/dbraw/zinc/24/77/66/172247766.db2.gz LYGNKERJYHDMAL-UHFFFAOYSA-N 1 0 213.350 1.712 10 0 BDAERO CCn1nc(C)c2cc(CC[NH3+])cnc21 ZINC000020314802 172249421 /nfs/dbraw/zinc/24/94/21/172249421.db2.gz JEDLDJHFEUTTBI-UHFFFAOYSA-N 1 0 204.277 1.261 10 0 BDAERO CCn1ncc(CN2CCC[C@@H]2C[NH3+])c1C ZINC000020315839 172255413 /nfs/dbraw/zinc/25/54/13/172255413.db2.gz BNRXXYSKZABPDZ-GFCCVEGCSA-N 1 0 222.336 1.135 10 0 BDAERO CN(C(=O)C[NH3+])c1ccccc1Br ZINC000020262058 172308921 /nfs/dbraw/zinc/30/89/21/172308921.db2.gz DHUVZMNDFURUSO-UHFFFAOYSA-N 1 0 243.104 1.371 10 0 BDAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000054290717 172313632 /nfs/dbraw/zinc/31/36/32/172313632.db2.gz JEJHWNUOBZWIFT-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000054305957 172313712 /nfs/dbraw/zinc/31/37/12/172313712.db2.gz RYYBPWIUXFPISA-WDEREUQCSA-N 1 0 242.388 1.340 10 0 BDAERO CN(C(=O)NC1CC1)c1cccc(C[NH3+])c1 ZINC000061950620 172318682 /nfs/dbraw/zinc/31/86/82/172318682.db2.gz GSKWTRKKMVJHDC-UHFFFAOYSA-N 1 0 219.288 1.454 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000084309198 172327536 /nfs/dbraw/zinc/32/75/36/172327536.db2.gz SAMYDHSUIGMNFH-ZYHUDNBSSA-N 1 0 224.348 1.762 10 0 BDAERO CN(C(=O)[C@H]([NH3+])C(C)(C)C)C1CCCC1 ZINC000077491798 172331637 /nfs/dbraw/zinc/33/16/37/172331637.db2.gz LCIYSTKXMZPATJ-JTQLQIEISA-N 1 0 212.337 1.761 10 0 BDAERO CN(C)C(=O)CC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009798 172360410 /nfs/dbraw/zinc/36/04/10/172360410.db2.gz CUODPWLGMJCUQH-LBPRGKRZSA-N 1 0 248.326 1.058 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000170863515 172538706 /nfs/dbraw/zinc/53/87/06/172538706.db2.gz ROEGNTJCHONXGG-AWEZNQCLSA-N 1 0 246.354 1.782 10 0 BDAERO C[N@H+](CCOCCO)C[C@H]1Cc2ccccc21 ZINC000287061026 172770282 /nfs/dbraw/zinc/77/02/82/172770282.db2.gz UMNXYAVIXOTZPX-CYBMUJFWSA-N 1 0 235.327 1.267 10 0 BDAERO CN(C[C@H]1CCCCO1)c1cc(N)cc[nH+]1 ZINC000043569091 172827298 /nfs/dbraw/zinc/82/72/98/172827298.db2.gz BVWXASSWMSIEMG-LLVKDONJSA-N 1 0 221.304 1.669 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000051890163 172833285 /nfs/dbraw/zinc/83/32/85/172833285.db2.gz DIADAQAENPGFNG-JTQLQIEISA-N 1 0 208.280 1.871 10 0 BDAERO CN(Cc1ccc(C[NH3+])cc1)c1ncccn1 ZINC000037757906 172847910 /nfs/dbraw/zinc/84/79/10/172847910.db2.gz SXXOUENJVVIAEX-UHFFFAOYSA-N 1 0 228.299 1.572 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]Cc1cncnc1 ZINC000054768161 173010362 /nfs/dbraw/zinc/01/03/62/173010362.db2.gz CAPIJADJCOGNOW-LBPRGKRZSA-N 1 0 220.320 1.051 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]C[C@@H]1CCCO1 ZINC000044562751 173010694 /nfs/dbraw/zinc/01/06/94/173010694.db2.gz JSGCQCZTIWFMGU-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO C[N@@H+]1CCCN(c2ccc(C=O)cc2F)CC1 ZINC000020217808 173017155 /nfs/dbraw/zinc/01/71/55/173017155.db2.gz YFUOEGGJXGQQNI-UHFFFAOYSA-N 1 0 236.290 1.780 10 0 BDAERO CN1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062569210 173019110 /nfs/dbraw/zinc/01/91/10/173019110.db2.gz NCXCSRLTYBSEOD-ZDUSSCGKSA-N 1 0 204.317 1.523 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ncccc2F)C1 ZINC000054700726 173022873 /nfs/dbraw/zinc/02/28/73/173022873.db2.gz HHBAVYJHBXNFLT-SECBINFHSA-N 1 0 209.268 1.727 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CCOc1ncccc1N ZINC000041043123 173027176 /nfs/dbraw/zinc/02/71/76/173027176.db2.gz GELVTKYPAPLRMQ-SNVBAGLBSA-N 1 0 221.304 1.527 10 0 BDAERO C[N@@H+]1CCC[C@H]1CCOc1cccc(CO)n1 ZINC000051043424 173052449 /nfs/dbraw/zinc/05/24/49/173052449.db2.gz XMQIFEBRTUZUAT-LBPRGKRZSA-N 1 0 236.315 1.437 10 0 BDAERO CN1CC[N@H+](C2CCCC2)C(C)(C)C1=O ZINC000120114441 173076300 /nfs/dbraw/zinc/07/63/00/173076300.db2.gz MMRLWNJCHCFMOU-UHFFFAOYSA-N 1 0 210.321 1.482 10 0 BDAERO C[NH+]1CCN(CCNc2cccc(F)c2)CC1 ZINC000041278854 173081541 /nfs/dbraw/zinc/08/15/41/173081541.db2.gz WLCUGOLGILRTIW-UHFFFAOYSA-N 1 0 237.322 1.485 10 0 BDAERO CN1CC[NH+]([C@H]2CNc3ccccc3C2)CC1 ZINC000037761068 173095535 /nfs/dbraw/zinc/09/55/35/173095535.db2.gz JHQJAZSMCXQVPF-CYBMUJFWSA-N 1 0 231.343 1.271 10 0 BDAERO C[N@@H+]1CC[C@@H](C(=O)Nc2cc(N)ccc2F)C1 ZINC000037758698 173110085 /nfs/dbraw/zinc/11/00/85/173110085.db2.gz BUFROCWWGHUQDN-MRVPVSSYSA-N 1 0 237.278 1.298 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(F)c1N ZINC000071188533 173113522 /nfs/dbraw/zinc/11/35/22/173113522.db2.gz LAYMZRCEADFQSU-SNVBAGLBSA-N 1 0 237.322 1.796 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2c(F)cc(N)cc2F)C1 ZINC000042545114 173126181 /nfs/dbraw/zinc/12/61/81/173126181.db2.gz GRXZPOHKCKUKGM-MRVPVSSYSA-N 1 0 227.258 1.663 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cc3c(cc2N)OCCO3)C1 ZINC000042544873 173126605 /nfs/dbraw/zinc/12/66/05/173126605.db2.gz MNCCVHPUDHZGLQ-SECBINFHSA-N 1 0 249.314 1.156 10 0 BDAERO C[N@@H+]1CC[C@@](CO)(Nc2ccccc2Cl)C1 ZINC000061992104 173137072 /nfs/dbraw/zinc/13/70/72/173137072.db2.gz HIWRVKBPIBCZHH-GFCCVEGCSA-N 1 0 240.734 1.819 10 0 BDAERO CN(C[C@H](O)c1ccccc1)C[C@H]1CC[N@H+](C)C1 ZINC000071190237 173142370 /nfs/dbraw/zinc/14/23/70/173142370.db2.gz GSMUOOFCEJQIFU-ZFWWWQNUSA-N 1 0 248.370 1.604 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(O)c1 ZINC000071190597 173142424 /nfs/dbraw/zinc/14/24/24/173142424.db2.gz XFZLYFZFSWZZCM-NSHDSACASA-N 1 0 248.326 1.416 10 0 BDAERO C[N@@H+]1CC[C@]12CCN(c1cccnc1)C2 ZINC000038866808 173164027 /nfs/dbraw/zinc/16/40/27/173164027.db2.gz BKEMWAOGDNCUML-GFCCVEGCSA-N 1 0 203.289 1.366 10 0 BDAERO CN1CCc2cc([C@H](O)CC[NH3+])ccc21 ZINC000074361816 173171493 /nfs/dbraw/zinc/17/14/93/173171493.db2.gz GSRQDJTVDRAAFI-GFCCVEGCSA-N 1 0 206.289 1.061 10 0 BDAERO CN1CCc2cc([C@@H]3C[C@@]3(C[NH3+])CO)ccc21 ZINC000070553538 173172505 /nfs/dbraw/zinc/17/25/05/173172505.db2.gz SXPYVXGAAYPTFF-GXTWGEPZSA-N 1 0 232.327 1.104 10 0 BDAERO CN1CCc2nc(C3([NH3+])CC3)sc2C1 ZINC000083346044 173174436 /nfs/dbraw/zinc/17/44/36/173174436.db2.gz XABBJJQAQRZPGV-UHFFFAOYSA-N 1 0 209.318 1.079 10 0 BDAERO C[N@@H+]1C[C@](C)(O)[C@H](O)C[C@H]1c1ccccc1 ZINC000255967475 173200048 /nfs/dbraw/zinc/20/00/48/173200048.db2.gz CPDAVIZHKGVASM-XQQFMLRXSA-N 1 0 221.300 1.175 10 0 BDAERO CN1Cc2cccc(Cl)c2[C@@H](C[NH3+])C1 ZINC000057496440 173201023 /nfs/dbraw/zinc/20/10/23/173201023.db2.gz MAGSEYSWBIYISI-VIFPVBQESA-N 1 0 210.708 1.828 10 0 BDAERO CN1c2ccccc2C[C@@H]1CC1=[NH+]CCN1 ZINC000029339884 173207820 /nfs/dbraw/zinc/20/78/20/173207820.db2.gz PANYCWDOAYXJOP-LLVKDONJSA-N 1 0 215.300 1.439 10 0 BDAERO CNC(=O)CCOc1ccc(C)cc1[C@H](C)[NH3+] ZINC000051757306 173261709 /nfs/dbraw/zinc/26/17/09/173261709.db2.gz RKUHPZKDEPBIGQ-JTQLQIEISA-N 1 0 236.315 1.530 10 0 BDAERO CNC(=O)CN(C)[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042908339 173269189 /nfs/dbraw/zinc/26/91/89/173269189.db2.gz LGFTXNCXLYAKMR-SMDDNHRTSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000037224744 173278229 /nfs/dbraw/zinc/27/82/29/173278229.db2.gz ALOQTOOQXPVYAK-CYBMUJFWSA-N 1 0 248.326 1.408 10 0 BDAERO CNC(=O)Cc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038041135 173283792 /nfs/dbraw/zinc/28/37/92/173283792.db2.gz AFPMVGMKLXTEDN-UHFFFAOYSA-N 1 0 247.342 1.139 10 0 BDAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1CCCCC1 ZINC000037247527 173288106 /nfs/dbraw/zinc/28/81/06/173288106.db2.gz NPFIORMAYXGVGB-SECBINFHSA-N 1 0 241.335 1.000 10 0 BDAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1CCCCC1 ZINC000037247525 173288566 /nfs/dbraw/zinc/28/85/66/173288566.db2.gz NPFIORMAYXGVGB-VIFPVBQESA-N 1 0 241.335 1.000 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043534348 173295037 /nfs/dbraw/zinc/29/50/37/173295037.db2.gz DIZCIWUBEUYAFZ-VXGBXAGGSA-N 1 0 234.343 1.904 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000042560343 173295192 /nfs/dbraw/zinc/29/51/92/173295192.db2.gz RXYMAFDJXNRSIS-VHSXEESVSA-N 1 0 236.315 1.480 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1cccs1 ZINC000061300447 173317345 /nfs/dbraw/zinc/31/73/45/173317345.db2.gz MEYLWVKWIAXVCI-UHFFFAOYSA-N 1 0 226.345 1.705 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)c1ccccc1 ZINC000061300023 173317992 /nfs/dbraw/zinc/31/79/92/173317992.db2.gz RPHIJQBWMUAXNH-UHFFFAOYSA-N 1 0 206.289 1.647 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1OC ZINC000061300055 173319184 /nfs/dbraw/zinc/31/91/84/173319184.db2.gz CBVLAFLLUIPBQT-UHFFFAOYSA-N 1 0 222.288 1.632 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ncccc1C ZINC000061300296 173319287 /nfs/dbraw/zinc/31/92/87/173319287.db2.gz LITZHWFMKUOVGD-UHFFFAOYSA-N 1 0 207.277 1.327 10 0 BDAERO C[NH2+]C(C)(C)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000061319774 173319339 /nfs/dbraw/zinc/31/93/39/173319339.db2.gz JOZUECYQKRSMLD-RYUDHWBXSA-N 1 0 226.364 1.628 10 0 BDAERO C[NH2+]C(C)(C)CN1C[C@H](C)OC(C)(C)C1 ZINC000061319800 173319618 /nfs/dbraw/zinc/31/96/18/173319618.db2.gz NEFIVFZJBGBRAF-JTQLQIEISA-N 1 0 214.353 1.484 10 0 BDAERO C[NH2+]C1CCN(CCc2ccco2)CC1 ZINC000042590232 173322640 /nfs/dbraw/zinc/32/26/40/173322640.db2.gz LSUANTUHZAVCDQ-UHFFFAOYSA-N 1 0 208.305 1.506 10 0 BDAERO C[NH2+]C1CCN(CCc2ccsc2)CC1 ZINC000049183870 173322854 /nfs/dbraw/zinc/32/28/54/173322854.db2.gz VNGJVWBDVRFRQV-UHFFFAOYSA-N 1 0 224.373 1.974 10 0 BDAERO C[NH2+]CC(=O)NCCN(C)c1cc(C)cc(C)c1 ZINC000077429268 173329309 /nfs/dbraw/zinc/32/93/09/173329309.db2.gz LEESNUIBKSXMGX-UHFFFAOYSA-N 1 0 249.358 1.075 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(Br)cs1 ZINC000077425571 173332711 /nfs/dbraw/zinc/33/27/11/173332711.db2.gz ROIZCKASQPXFBY-UHFFFAOYSA-N 1 0 249.133 1.669 10 0 BDAERO C[NH2+]CC(=O)N[C@H](C)c1cccc(C)c1 ZINC000077299878 173333134 /nfs/dbraw/zinc/33/31/34/173333134.db2.gz ZJEJZFVCNNJTPL-SNVBAGLBSA-N 1 0 206.289 1.392 10 0 BDAERO C[NH2+]CC(=O)Nc1cccc(Cl)c1F ZINC000020472598 173334008 /nfs/dbraw/zinc/33/40/08/173334008.db2.gz VXKGGHDVOAZSOL-UHFFFAOYSA-N 1 0 216.643 1.637 10 0 BDAERO C[NH2+]CC(=O)c1cc(OC)cc(OC)c1 ZINC000082948474 173336535 /nfs/dbraw/zinc/33/65/35/173336535.db2.gz BBFQQJFQYDAQBO-UHFFFAOYSA-N 1 0 209.245 1.106 10 0 BDAERO C[NH2+]CC1CCN(c2nccs2)CC1 ZINC000053664058 173338686 /nfs/dbraw/zinc/33/86/86/173338686.db2.gz KWANSOAKWOVXEO-UHFFFAOYSA-N 1 0 211.334 1.579 10 0 BDAERO C[NH2+]CC1CCN(c2nc(C)cs2)CC1 ZINC000053664061 173338687 /nfs/dbraw/zinc/33/86/87/173338687.db2.gz GYMMKFLZTFZETF-UHFFFAOYSA-N 1 0 225.361 1.887 10 0 BDAERO C[NH2+]CCC(=O)OCc1cccc(F)c1 ZINC000077304489 173341900 /nfs/dbraw/zinc/34/19/00/173341900.db2.gz ZTMMLQMLPQMERE-UHFFFAOYSA-N 1 0 211.236 1.478 10 0 BDAERO C[NH2+]CCCC(=O)N(C)c1ccc(C(C)=O)cc1 ZINC000077423047 173342934 /nfs/dbraw/zinc/34/29/34/173342934.db2.gz XHMZJLHPTSGHMG-UHFFFAOYSA-N 1 0 248.326 1.852 10 0 BDAERO C[NH2+]CCCCn1c2ccccc2nc(C)c1=O ZINC000053537608 173346097 /nfs/dbraw/zinc/34/60/97/173346097.db2.gz NBHUEODVARAESX-UHFFFAOYSA-N 1 0 245.326 1.705 10 0 BDAERO C[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000019669849 173349803 /nfs/dbraw/zinc/34/98/03/173349803.db2.gz GTBYXIIQYHKLIC-UHFFFAOYSA-N 1 0 209.245 1.404 10 0 BDAERO C[NH2+]CCN(C)CCc1cn(C)c2ccccc12 ZINC000077400204 173353162 /nfs/dbraw/zinc/35/31/62/173353162.db2.gz PMGNAFKVEDSYRT-UHFFFAOYSA-N 1 0 245.370 1.872 10 0 BDAERO C[NH2+]CCN(C)c1cccc(C(=O)OC)c1 ZINC000077334049 173353918 /nfs/dbraw/zinc/35/39/18/173353918.db2.gz VAWIRQBUHWRTGY-UHFFFAOYSA-N 1 0 222.288 1.129 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1c(C)cccc1C ZINC000077373175 173358197 /nfs/dbraw/zinc/35/81/97/173358197.db2.gz GWZZOBGPFDUDND-CYBMUJFWSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000019864741 173365531 /nfs/dbraw/zinc/36/55/31/173365531.db2.gz RUDCCPZRGNEEPQ-LLVKDONJSA-N 1 0 223.316 1.769 10 0 BDAERO C[NH2+]C[C@@H](O)c1c[nH]c2c1cccc2C ZINC000071487912 173365875 /nfs/dbraw/zinc/36/58/75/173365875.db2.gz TXRCTPCPAJPRDN-LLVKDONJSA-N 1 0 204.273 1.729 10 0 BDAERO C[NH2+]C[C@@H](OC)c1ccc(OC)c(C)c1OC ZINC000071549515 173366970 /nfs/dbraw/zinc/36/69/70/173366970.db2.gz RKFSKVZTZKOYFQ-GFCCVEGCSA-N 1 0 239.315 1.919 10 0 BDAERO C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000022029023 173367307 /nfs/dbraw/zinc/36/73/07/173367307.db2.gz YUUHACRHCLRCAZ-ZDUSSCGKSA-N 1 0 220.316 1.279 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000061277649 173368199 /nfs/dbraw/zinc/36/81/99/173368199.db2.gz CJQIOMXAHHJEHG-NSHDSACASA-N 1 0 246.358 1.401 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(O)cc2)C1 ZINC000071143913 173369689 /nfs/dbraw/zinc/36/96/89/173369689.db2.gz HCSKFVZIMIWFJL-JTQLQIEISA-N 1 0 234.299 1.074 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1ccc(C)cn1 ZINC000053703664 173370075 /nfs/dbraw/zinc/37/00/75/173370075.db2.gz UMOZKICXQXUHDR-NSHDSACASA-N 1 0 205.305 1.578 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ccc(N(C)C)cc2)C1 ZINC000053031310 173370900 /nfs/dbraw/zinc/37/09/00/173370900.db2.gz YFHBNZOGPYXGPL-LBPRGKRZSA-N 1 0 233.359 1.798 10 0 BDAERO C[NH2+]C[C@@H]1CN([C@H](C)c2ccccc2)CCO1 ZINC000071544612 173372037 /nfs/dbraw/zinc/37/20/37/173372037.db2.gz YLWQAWONTGOQKL-TZMCWYRMSA-N 1 0 234.343 1.668 10 0 BDAERO C[NH2+]C[C@@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000019684555 173372622 /nfs/dbraw/zinc/37/26/22/173372622.db2.gz BFWBKFGJCYFTDD-ZDUSSCGKSA-N 1 0 239.315 1.217 10 0 BDAERO C[NH2+]C[C@H](C(C)C)N1CCOCC1(C)C ZINC000052546005 173373082 /nfs/dbraw/zinc/37/30/82/173373082.db2.gz VAQJJCQUJNMHIC-LLVKDONJSA-N 1 0 214.353 1.341 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc(OC(C)C)cc1 ZINC000032014592 173373326 /nfs/dbraw/zinc/37/33/26/173373326.db2.gz GTXKXNMTQHAVAB-CYBMUJFWSA-N 1 0 223.316 1.901 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccccc1OC(C)C ZINC000032014596 173373371 /nfs/dbraw/zinc/37/33/71/173373371.db2.gz FWTKLUKOVKEIOH-CYBMUJFWSA-N 1 0 223.316 1.901 10 0 BDAERO C[NH2+]C[C@H](C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052953615 173375983 /nfs/dbraw/zinc/37/59/83/173375983.db2.gz UWOJIFBJLLGBKY-ONGXEEELSA-N 1 0 239.340 1.413 10 0 BDAERO C[NH2+]C[C@H](O)COc1cccc(C(C)C)c1 ZINC000019864590 173376483 /nfs/dbraw/zinc/37/64/83/173376483.db2.gz OYZQEEHVLLIGAT-LBPRGKRZSA-N 1 0 223.316 1.769 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2nc(C)cs2)C1 ZINC000070800305 173382471 /nfs/dbraw/zinc/38/24/71/173382471.db2.gz PJVJFLBAVUQGQS-SECBINFHSA-N 1 0 211.334 1.497 10 0 BDAERO C[NH2+]C[C@](C)(O)Cc1cc(OC)ccc1OC ZINC000019684569 173383511 /nfs/dbraw/zinc/38/35/11/173383511.db2.gz IWMBXKNNOWBRSO-CYBMUJFWSA-N 1 0 239.315 1.217 10 0 BDAERO C[NH2+]Cc1c(C)nc(-c2cnccn2)nc1C ZINC000054854067 173384251 /nfs/dbraw/zinc/38/42/51/173384251.db2.gz DMBKBDIXMWJFTQ-UHFFFAOYSA-N 1 0 229.287 1.270 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N1CCCCC1 ZINC000034824112 173384719 /nfs/dbraw/zinc/38/47/19/173384719.db2.gz DLGBCXBROZPDRZ-UHFFFAOYSA-N 1 0 222.336 1.438 10 0 BDAERO C[NH2+]Cc1c(Cl)cccc1N1CC[C@@H](O)C1 ZINC000061711220 173385064 /nfs/dbraw/zinc/38/50/64/173385064.db2.gz HASXQXDTAFHBLK-SECBINFHSA-N 1 0 240.734 1.630 10 0 BDAERO C[NH2+]Cc1c[nH]nc1-c1cncc(F)c1 ZINC000086442866 173385363 /nfs/dbraw/zinc/38/53/63/173385363.db2.gz GGAYMZCDBBJBQR-UHFFFAOYSA-N 1 0 206.224 1.330 10 0 BDAERO C[NH2+]Cc1cc(Cn2cc(Cl)cn2)on1 ZINC000052577176 173386677 /nfs/dbraw/zinc/38/66/77/173386677.db2.gz LZIXMTJDRFDLMY-UHFFFAOYSA-N 1 0 226.667 1.292 10 0 BDAERO C[NH2+]Cc1cc(N(C)CC2CCOCC2)ccn1 ZINC000104201242 173387002 /nfs/dbraw/zinc/38/70/02/173387002.db2.gz OSCMTPOSXWZYHY-UHFFFAOYSA-N 1 0 249.358 1.664 10 0 BDAERO C[NH2+]Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000034797773 173387010 /nfs/dbraw/zinc/38/70/10/173387010.db2.gz RAAVRUVGVRDMBI-UHFFFAOYSA-N 1 0 216.284 1.864 10 0 BDAERO C[NH2+]Cc1cc(N2CCCSCC2)ccn1 ZINC000051520787 173387179 /nfs/dbraw/zinc/38/71/79/173387179.db2.gz IBHQNZZKBCKKRS-UHFFFAOYSA-N 1 0 237.372 1.744 10 0 BDAERO C[NH2+]Cc1ccc(-n2nc(C)nc2C)cc1C ZINC000050585269 173388539 /nfs/dbraw/zinc/38/85/39/173388539.db2.gz LPPJTVOUNFQCQU-UHFFFAOYSA-N 1 0 230.315 1.912 10 0 BDAERO C[NH2+]Cc1cccc(O[C@H]2CCCCNC2=O)c1 ZINC000034816082 173389654 /nfs/dbraw/zinc/38/96/54/173389654.db2.gz CHCQOMFKFRFYDI-ZDUSSCGKSA-N 1 0 248.326 1.454 10 0 BDAERO C[NH2+]Cc1cccc(O[C@H]2CCOC2=O)c1 ZINC000037703890 173389816 /nfs/dbraw/zinc/38/98/16/173389816.db2.gz HGYHSDYCAQAMDC-NSHDSACASA-N 1 0 221.256 1.100 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)c1cnccn1 ZINC000036280500 173390121 /nfs/dbraw/zinc/39/01/21/173390121.db2.gz BWVOGRUCORSGSI-UHFFFAOYSA-N 1 0 242.282 1.448 10 0 BDAERO C[NH2+]Cc1ccccc1N(C)CC(=O)NC1CC1 ZINC000042691836 173390286 /nfs/dbraw/zinc/39/02/86/173390286.db2.gz MLEHSEQBQKQOMB-UHFFFAOYSA-N 1 0 247.342 1.121 10 0 BDAERO C[NH2+]Cc1cnc(N2CCC[C@@H]2C)s1 ZINC000054898997 173392133 /nfs/dbraw/zinc/39/21/33/173392133.db2.gz MLNRAWCGDLYMQO-QMMMGPOBSA-N 1 0 211.334 1.851 10 0 BDAERO C[NH2+]Cc1cnc(N2CCOC(C)(C)C2)s1 ZINC000054904504 173392192 /nfs/dbraw/zinc/39/21/92/173392192.db2.gz LHGDJAQBWFRCKH-UHFFFAOYSA-N 1 0 241.360 1.478 10 0 BDAERO C[NH2+]Cc1cnn([C@@H]2CCCCC[C@@H]2O)c1C ZINC000054600491 173393091 /nfs/dbraw/zinc/39/30/91/173393091.db2.gz IYVPWTSYXHYPGF-OLZOCXBDSA-N 1 0 237.347 1.777 10 0 BDAERO C[NH2+]Cc1cnn(Cc2ccccc2F)c1 ZINC000054719151 173394071 /nfs/dbraw/zinc/39/40/71/173394071.db2.gz KJEOITGVILNBAD-UHFFFAOYSA-N 1 0 219.263 1.790 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccccc2C)o1 ZINC000050615300 173397154 /nfs/dbraw/zinc/39/71/54/173397154.db2.gz RRDRIKPDPVAIFJ-UHFFFAOYSA-N 1 0 203.245 1.764 10 0 BDAERO C[NH2+]Cc1nnc(-c2cccc(F)c2)o1 ZINC000050615303 173397342 /nfs/dbraw/zinc/39/73/42/173397342.db2.gz PZONWFKYUPTNQT-UHFFFAOYSA-N 1 0 207.208 1.595 10 0 BDAERO C[NH2+]Cc1nnnn1-c1cccc(Cl)c1F ZINC000054744997 173399025 /nfs/dbraw/zinc/39/90/25/173399025.db2.gz DGKSTRAUMOWUGF-UHFFFAOYSA-N 1 0 241.657 1.174 10 0 BDAERO C[NH2+]Cc1oc(Cn2ccnc2)cc1C ZINC000052575568 173399764 /nfs/dbraw/zinc/39/97/64/173399764.db2.gz KDYHHADNJQGCHE-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+][C@@H](C)c1ccc(N2C(=O)C[C@@H](C)C2=O)cc1 ZINC000038051970 173418459 /nfs/dbraw/zinc/41/84/59/173418459.db2.gz YGAROIQDMPPAOG-ZJUUUORDSA-N 1 0 246.310 1.866 10 0 BDAERO C[NH2+][C@@H](Cc1nc(-c2ncccn2)no1)C(C)C ZINC000104057633 173426297 /nfs/dbraw/zinc/42/62/97/173426297.db2.gz GDCUTROBWOITGE-VIFPVBQESA-N 1 0 247.302 1.313 10 0 BDAERO C[NH2+][C@@H]1CCCCCC[C@H]1n1cncn1 ZINC000043991895 173431862 /nfs/dbraw/zinc/43/18/62/173431862.db2.gz VSEHXQWEXKQQRJ-GHMZBOCLSA-N 1 0 208.309 1.761 10 0 BDAERO C[NH2+][C@@H]1CCCN(Cc2ccc(Cl)nn2)C1 ZINC000095071501 173433356 /nfs/dbraw/zinc/43/33/56/173433356.db2.gz BRDMLHRZOOBEKB-SECBINFHSA-N 1 0 240.738 1.314 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1Cl ZINC000054076708 173445334 /nfs/dbraw/zinc/44/53/34/173445334.db2.gz NKESQXKKMFTRSW-SSDOTTSWSA-N 1 0 242.706 1.895 10 0 BDAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000035633609 173449384 /nfs/dbraw/zinc/44/93/84/173449384.db2.gz WTGMDMMDDNPOPW-SECBINFHSA-N 1 0 242.344 1.217 10 0 BDAERO C[NH2+][C@H](C)c1cnc(N2CCO[C@H](C)C2)s1 ZINC000054900826 173450385 /nfs/dbraw/zinc/45/03/85/173450385.db2.gz MSUYQBLVNYEJBC-RKDXNWHRSA-N 1 0 241.360 1.649 10 0 BDAERO C[NH2+][C@H](CO)COc1ccc(C)cc1C ZINC000071511937 173452476 /nfs/dbraw/zinc/45/24/76/173452476.db2.gz OCBIRMCGMYKRTE-LLVKDONJSA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[C@@H]1C ZINC000035488665 173456653 /nfs/dbraw/zinc/45/66/53/173456653.db2.gz PZDCIQBLKUFWQT-LPBBDHJYSA-N 1 0 231.299 1.773 10 0 BDAERO COC(=O)C[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000074480255 173635505 /nfs/dbraw/zinc/63/55/05/173635505.db2.gz AGUHKFHVEXUODR-SNVBAGLBSA-N 1 0 227.691 1.773 10 0 BDAERO COC(=O)[C@@H](C)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118489 173675327 /nfs/dbraw/zinc/67/53/27/173675327.db2.gz INVRKUJUSXXABW-AKJDGMEZSA-N 1 0 243.347 1.326 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000215986291 173817909 /nfs/dbraw/zinc/81/79/09/173817909.db2.gz LBNNWIZMDMVPSI-RYUDHWBXSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)c1ccc(N(C)C[C@@H](C)C[NH3+])cc1 ZINC000077372701 173881922 /nfs/dbraw/zinc/88/19/22/173881922.db2.gz PTQUDPWAHJOVKU-JTQLQIEISA-N 1 0 236.315 1.504 10 0 BDAERO COC(=O)c1cccc2[nH]cc(C[NH3+])c21 ZINC000114537950 173896471 /nfs/dbraw/zinc/89/64/71/173896471.db2.gz VXKBHBIHMIPACC-UHFFFAOYSA-N 1 0 204.229 1.413 10 0 BDAERO COC(=O)c1cccc([C@@H]2C[NH2+]CCN2C)c1 ZINC000072366061 173896950 /nfs/dbraw/zinc/89/69/50/173896950.db2.gz JOCDUEHUXDUIQE-LBPRGKRZSA-N 1 0 234.299 1.049 10 0 BDAERO COC1CCN(C(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000037266871 174026745 /nfs/dbraw/zinc/02/67/45/174026745.db2.gz QBNRJRDZXRRXRZ-GHMZBOCLSA-N 1 0 240.347 1.012 10 0 BDAERO COCCCCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000120758169 174180170 /nfs/dbraw/zinc/18/01/70/174180170.db2.gz PHMMTGDJYLZFBO-RYUDHWBXSA-N 1 0 215.337 1.912 10 0 BDAERO COCCCN(C)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000062034985 174213373 /nfs/dbraw/zinc/21/33/73/174213373.db2.gz ATOCXHKLZHKAIK-NWDGAFQWSA-N 1 0 242.363 1.246 10 0 BDAERO COCCCN(C)c1nc2c(cc1C[NH3+])CCC2 ZINC000062028994 174220228 /nfs/dbraw/zinc/22/02/28/174220228.db2.gz QFSKIQIITCJFBE-UHFFFAOYSA-N 1 0 249.358 1.502 10 0 BDAERO COCCCNC(=O)c1ccc([C@H](C)[NH3+])o1 ZINC000011628191 174245206 /nfs/dbraw/zinc/24/52/06/174245206.db2.gz ZTZIHINNOLVOTI-QMMMGPOBSA-N 1 0 226.276 1.066 10 0 BDAERO COCCC[NH2+]CCOc1cccc(C)c1 ZINC000041242692 174246783 /nfs/dbraw/zinc/24/67/83/174246783.db2.gz XNZUBURIQKCHKH-UHFFFAOYSA-N 1 0 223.316 2.000 10 0 BDAERO COCCC[NH2+]C[C@H](C)N1CCCO[C@@H](C)C1 ZINC000061936441 174247175 /nfs/dbraw/zinc/24/71/75/174247175.db2.gz DLYQPSXGZPKMLO-STQMWFEESA-N 1 0 244.379 1.112 10 0 BDAERO COCCN(C1CC1)[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042518165 174284513 /nfs/dbraw/zinc/28/45/13/174284513.db2.gz DXVZPNCYMMKSNT-GJZGRUSLSA-N 1 0 246.354 1.722 10 0 BDAERO COCCN([C@H](C[NH3+])Cc1ccccc1)C1CC1 ZINC000042517943 174284771 /nfs/dbraw/zinc/28/47/71/174284771.db2.gz LICPBINOVUBIJZ-HNNXBMFYSA-N 1 0 248.370 1.667 10 0 BDAERO COCCN(CCC[NH2+]C1CC1)[C@H](C)COC ZINC000042609918 174290242 /nfs/dbraw/zinc/29/02/42/174290242.db2.gz TXCONADSSXFTMS-GFCCVEGCSA-N 1 0 244.379 1.112 10 0 BDAERO COCCN(CCC[NH2+]C1CC1)[C@@H](C)COC ZINC000042609917 174291034 /nfs/dbraw/zinc/29/10/34/174291034.db2.gz TXCONADSSXFTMS-LBPRGKRZSA-N 1 0 244.379 1.112 10 0 BDAERO COCC[N@H+](C[C@@H](C)C(=O)OC)[C@@H](C)C1CC1 ZINC000042680347 174296906 /nfs/dbraw/zinc/29/69/06/174296906.db2.gz YEJVWDYRWYWBQW-MNOVXSKESA-N 1 0 243.347 1.542 10 0 BDAERO COCCN(c1ccccc1C(N)=[NH2+])C1CC1 ZINC000042518431 174302039 /nfs/dbraw/zinc/30/20/39/174302039.db2.gz MZBSPSLVNWIBRY-UHFFFAOYSA-N 1 0 233.315 1.586 10 0 BDAERO COCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114202529 174305126 /nfs/dbraw/zinc/30/51/26/174305126.db2.gz DSSDNNHJAWXKHT-NSHDSACASA-N 1 0 209.293 1.583 10 0 BDAERO COCCN1C[C@@H](C)[NH2+]C[C@H]1CC(C)C ZINC000062571783 174316846 /nfs/dbraw/zinc/31/68/46/174316846.db2.gz XDVWAORYFHPGDO-VXGBXAGGSA-N 1 0 214.353 1.341 10 0 BDAERO COCC[NH2+]C[C@@H](C)Oc1cccc(OC)c1 ZINC000053565520 174333239 /nfs/dbraw/zinc/33/32/39/174333239.db2.gz PGBDPAYZARZZLD-LLVKDONJSA-N 1 0 239.315 1.699 10 0 BDAERO COCC[NH2+]CCc1ccc(OC)cc1 ZINC000020044658 174333369 /nfs/dbraw/zinc/33/33/69/174333369.db2.gz TZEZCHPGSVCKFS-UHFFFAOYSA-N 1 0 209.289 1.474 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1ccc(Cl)c(N)c1 ZINC000098126787 174333894 /nfs/dbraw/zinc/33/38/94/174333894.db2.gz KVRDZRQOFFQHJP-LLVKDONJSA-N 1 0 244.722 1.192 10 0 BDAERO COCC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000032015842 174334273 /nfs/dbraw/zinc/33/42/73/174334273.db2.gz MIWRBUNCZBFJQI-NSHDSACASA-N 1 0 229.707 1.609 10 0 BDAERO COCC[NH2+]C[C@@H]1CCCN1Cc1cccnc1 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/nfs/dbraw/zinc/39/18/01/174391801.db2.gz NLNDRJYAMBWKPX-SECBINFHSA-N 1 0 244.241 1.267 10 0 BDAERO COCC[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000055225776 174392583 /nfs/dbraw/zinc/39/25/83/174392583.db2.gz CCOHBYIPDBZNIU-SNVBAGLBSA-N 1 0 223.272 1.494 10 0 BDAERO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@@H]1C ZINC000309982179 174397228 /nfs/dbraw/zinc/39/72/28/174397228.db2.gz WPSPUGTXBVVSBZ-VOAKCMCISA-N 1 0 227.348 1.959 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)CC2CCCC2)C1 ZINC000104359867 174770612 /nfs/dbraw/zinc/77/06/12/174770612.db2.gz QKDFCMUNGXTDAE-RYUDHWBXSA-N 1 0 240.347 1.012 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](c2nc(C(C)C)c[nH]2)C1 ZINC000040637747 174771536 /nfs/dbraw/zinc/77/15/36/174771536.db2.gz BAMVCXKGLGKVIS-IUCAKERBSA-N 1 0 209.293 1.583 10 0 BDAERO CO[C@H](C)CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186547608 174808816 /nfs/dbraw/zinc/80/88/16/174808816.db2.gz SAJIPIVMEIXNJH-GHMZBOCLSA-N 1 0 240.347 1.154 10 0 BDAERO COC1(C)CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000328206026 487629305 /nfs/dbraw/zinc/62/93/05/487629305.db2.gz ABLOHMUDTNEALF-GHMZBOCLSA-N 1 0 213.321 1.401 10 0 BDAERO CO[C@H]1CCC[C@H]1Nc1cc(N)cc[nH+]1 ZINC000050368613 174883999 /nfs/dbraw/zinc/88/39/99/174883999.db2.gz WZWHDXLWSJUDRR-ZJUUUORDSA-N 1 0 207.277 1.643 10 0 BDAERO COc1cc(OC)c(C(=O)CC[NH3+])c(OC)c1 ZINC000096988636 175006626 /nfs/dbraw/zinc/00/66/26/175006626.db2.gz OOGZIQBBLRURQR-UHFFFAOYSA-N 1 0 239.271 1.244 10 0 BDAERO COc1cc(OC)c(OC)c2c1C[C@H](C)[C@H]2[NH3+] ZINC000041278593 175007069 /nfs/dbraw/zinc/00/70/69/175007069.db2.gz OSVHCRLKOGQMNV-JVXZTZIISA-N 1 0 237.299 1.904 10 0 BDAERO COc1cc(OC)c(OC)cc1/C=C/C[NH3+] ZINC000069049792 175007267 /nfs/dbraw/zinc/00/72/67/175007267.db2.gz RFCKJIAVOVUVBX-SNAWJCMRSA-N 1 0 223.272 1.684 10 0 BDAERO COc1cc(OC)c([C@H](C)[NH3+])cc1OC ZINC000083256191 175007898 /nfs/dbraw/zinc/00/78/98/175007898.db2.gz CXDAFODKGJXDAY-ZETCQYMHSA-N 1 0 211.261 1.732 10 0 BDAERO COc1cc(OC)c([C@@H]2C[C@H]2[NH3+])cc1OC ZINC000033756448 175008101 /nfs/dbraw/zinc/00/81/01/175008101.db2.gz WRUZWMMBYLENFM-IONNQARKSA-N 1 0 223.272 1.527 10 0 BDAERO COc1cc(OC)cc([C@H](O)[C@@H](C)[NH3+])c1 ZINC000020216969 175010928 /nfs/dbraw/zinc/01/09/28/175010928.db2.gz MYXXJIQFBCNQJU-RDDDGLTNSA-N 1 0 211.261 1.084 10 0 BDAERO COc1cc(OC)cc([C@H](O)[C@H](C)[NH3+])c1 ZINC000020216971 175011231 /nfs/dbraw/zinc/01/12/31/175011231.db2.gz MYXXJIQFBCNQJU-WRWORJQWSA-N 1 0 211.261 1.084 10 0 BDAERO COc1cc2c(c(OC)c1)C[NH2+][C@H](C)C2 ZINC000052095263 175019773 /nfs/dbraw/zinc/01/97/73/175019773.db2.gz KAQCHPCPKGHGLB-MRVPVSSYSA-N 1 0 207.273 1.738 10 0 BDAERO COc1cc2c(c(OC)c1OC)[C@@H]([NH3+])[C@@H](C)C2 ZINC000041278605 175020801 /nfs/dbraw/zinc/02/08/01/175020801.db2.gz RXRAQVBVOBLXGE-CPCISQLKSA-N 1 0 237.299 1.904 10 0 BDAERO COc1cc2ncc3c(c2cc1OC)CC[NH2+]C3 ZINC000077259704 175028327 /nfs/dbraw/zinc/02/83/27/175028327.db2.gz VCFWHTFEOKMQPH-UHFFFAOYSA-N 1 0 244.294 1.898 10 0 BDAERO COc1ccc(-c2c[nH]c(C[NH3+])n2)c(OC)c1 ZINC000036870947 175029829 /nfs/dbraw/zinc/02/98/29/175029829.db2.gz QHZVIQLBJRGXHE-UHFFFAOYSA-N 1 0 233.271 1.553 10 0 BDAERO COc1ccc(-n2cncc2CC[NH3+])cc1OC ZINC000076691643 175044838 /nfs/dbraw/zinc/04/48/38/175044838.db2.gz ZOGDCZGPHZMYFN-UHFFFAOYSA-N 1 0 247.298 1.391 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1(C)CCC1 ZINC000225812490 487629844 /nfs/dbraw/zinc/62/98/44/487629844.db2.gz LGFGKBHFFZRPFL-JTQLQIEISA-N 1 0 212.337 1.666 10 0 BDAERO CCCN1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324569766 487629851 /nfs/dbraw/zinc/62/98/51/487629851.db2.gz WFWJHUVCBHXBMB-VXGBXAGGSA-N 1 0 228.380 1.467 10 0 BDAERO COc1ccc(C)cc1-c1nc(C[C@H](C)[NH3+])no1 ZINC000054161116 175072140 /nfs/dbraw/zinc/07/21/40/175072140.db2.gz FIIDMURBXOABEC-VIFPVBQESA-N 1 0 247.298 1.943 10 0 BDAERO COc1ccc(C)cc1Cn1cc(C[NH3+])nn1 ZINC000050224908 175076728 /nfs/dbraw/zinc/07/67/28/175076728.db2.gz SMJXHHFQRQSAND-UHFFFAOYSA-N 1 0 232.287 1.102 10 0 BDAERO COc1ccc(C)cc1N1C[C@H]([NH3+])CC1=O ZINC000035679685 175077092 /nfs/dbraw/zinc/07/70/92/175077092.db2.gz WAHZGFVYXQFRER-SECBINFHSA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(C)cc1C[C@H]1COCC[C@H]1[NH3+] ZINC000076682535 175077173 /nfs/dbraw/zinc/07/71/73/175077173.db2.gz JEKPVMOCVQMRAL-QWHCGFSZSA-N 1 0 235.327 1.910 10 0 BDAERO COc1ccc(C)cc1[C@@](O)(C[NH3+])C1CC1 ZINC000049818457 175080827 /nfs/dbraw/zinc/08/08/27/175080827.db2.gz WVXQLHLPXCXIFK-CYBMUJFWSA-N 1 0 221.300 1.560 10 0 BDAERO COc1ccc(C)cc1[C@H](C)NC(=O)C1C[NH2+]C1 ZINC000091406297 175081241 /nfs/dbraw/zinc/08/12/41/175081241.db2.gz CSCJLDAXBOGHSG-JTQLQIEISA-N 1 0 248.326 1.400 10 0 BDAERO COc1ccc(C)cc1[C@@]1(C)OC[C@H](C[NH3+])O1 ZINC000049828750 175081513 /nfs/dbraw/zinc/08/15/13/175081513.db2.gz ZHKSPUAZPIHIAB-GWCFXTLKSA-N 1 0 237.299 1.550 10 0 BDAERO COc1ccc(C2(C[NH3+])OCCCO2)cc1F ZINC000057533606 175084320 /nfs/dbraw/zinc/08/43/20/175084320.db2.gz PJVPTKLMIIPTCR-UHFFFAOYSA-N 1 0 241.262 1.383 10 0 BDAERO COc1ccc(CC(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000041278263 175087278 /nfs/dbraw/zinc/08/72/78/175087278.db2.gz WGZZXXSXYRQJJF-NSHDSACASA-N 1 0 237.274 1.698 10 0 BDAERO COc1ccc(CC[NH3+])cc1OCc1ncon1 ZINC000037721776 175090274 /nfs/dbraw/zinc/09/02/74/175090274.db2.gz PPCURQDPBRRFAI-UHFFFAOYSA-N 1 0 249.270 1.158 10 0 BDAERO COc1ccc(CC[NH2+]C2CC2)cc1OC ZINC000034977735 175091906 /nfs/dbraw/zinc/09/19/06/175091906.db2.gz BOOLDCKQKYDCKO-UHFFFAOYSA-N 1 0 221.300 1.998 10 0 BDAERO COc1ccc(CC[NH2+][C@H](C)CO)cc1C ZINC000098124831 175092508 /nfs/dbraw/zinc/09/25/08/175092508.db2.gz WGPPBKOETFDBQR-LLVKDONJSA-N 1 0 223.316 1.517 10 0 BDAERO COc1ccc(CC[NH2+][C@H](C)CO)cc1F ZINC000098125068 175093074 /nfs/dbraw/zinc/09/30/74/175093074.db2.gz XOUAAHMNEHVZQQ-SECBINFHSA-N 1 0 227.279 1.347 10 0 BDAERO COc1ccc(CC[C@H](C)[NH3+])cc1OC ZINC000009280628 175093547 /nfs/dbraw/zinc/09/35/47/175093547.db2.gz GKVCAXLHDBMIPO-VIFPVBQESA-N 1 0 209.289 1.984 10 0 BDAERO COc1ccc(C[C@@H](C[NH3+])N(C)C)c(OC)c1 ZINC000041280512 175115912 /nfs/dbraw/zinc/11/59/12/175115912.db2.gz CLEUYIFMLDSMIZ-NSHDSACASA-N 1 0 238.331 1.135 10 0 BDAERO COc1ccc(Cl)cc1[C@H](N)C[NH3+] ZINC000044473309 175123389 /nfs/dbraw/zinc/12/33/89/175123389.db2.gz WHTIQRCJFKJJST-MRVPVSSYSA-N 1 0 200.669 1.307 10 0 BDAERO COc1ccc(N2CC[C@H]([NH3+])C2=O)cc1Cl ZINC000049648485 175139127 /nfs/dbraw/zinc/13/91/27/175139127.db2.gz NALOCVXPDRHKLX-VIFPVBQESA-N 1 0 240.690 1.413 10 0 BDAERO COc1ccc(NC(=O)[C@@H](C)C[NH3+])cc1C ZINC000044806393 175144255 /nfs/dbraw/zinc/14/42/55/175144255.db2.gz KDJJRFAHRFMCFR-VIFPVBQESA-N 1 0 222.288 1.537 10 0 BDAERO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cn1 ZINC000019410701 175145839 /nfs/dbraw/zinc/14/58/39/175145839.db2.gz UBEBEJAFPNFVBB-SECBINFHSA-N 1 0 235.287 1.028 10 0 BDAERO COc1ccc(NC[C@@H](O)C[NH+](C)C)cc1C ZINC000049529961 175151712 /nfs/dbraw/zinc/15/17/12/175151712.db2.gz ICWHQBANFJETEM-GFCCVEGCSA-N 1 0 238.331 1.338 10 0 BDAERO COc1ccc(OC)c([C@H](CC[NH3+])OC)c1 ZINC000049820072 175168857 /nfs/dbraw/zinc/16/88/57/175168857.db2.gz IKRNNYZDTQUNKE-LBPRGKRZSA-N 1 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1.428 10 0 BDAERO COc1ccc([C@H]([NH3+])CCO)c(OC)c1OC ZINC000002530254 175191736 /nfs/dbraw/zinc/19/17/36/175191736.db2.gz VZVDLYRZPPGULX-SECBINFHSA-N 1 0 241.287 1.095 10 0 BDAERO COc1ccc([C@H](N)CC[NH+](C)C)cc1OC ZINC000020274086 175192144 /nfs/dbraw/zinc/19/21/44/175192144.db2.gz LHMQBVLUICCJTL-LLVKDONJSA-N 1 0 238.331 1.655 10 0 BDAERO COc1ccc([C@H](O)CCC[NH3+])c(OC)c1 ZINC000036161688 175193429 /nfs/dbraw/zinc/19/34/29/175193429.db2.gz LCMHVXOPMNVILJ-LLVKDONJSA-N 1 0 225.288 1.476 10 0 BDAERO COc1ccc([C@H](O)C[NH2+]C(C)C)cc1OC ZINC000005442207 175193760 /nfs/dbraw/zinc/19/37/60/175193760.db2.gz MVTHUHYTFNDNEO-LLVKDONJSA-N 1 0 239.315 1.735 10 0 BDAERO COc1ccc([C@H]([C@@H](C)[NH3+])n2cncn2)cc1 ZINC000042962213 175193914 /nfs/dbraw/zinc/19/39/14/175193914.db2.gz YFUBHPHASCJDCR-SKDRFNHKSA-N 1 0 232.287 1.223 10 0 BDAERO COc1ccc([C@](C)(O)C[NH2+]C2CC2)cc1 ZINC000032013925 175199630 /nfs/dbraw/zinc/19/96/30/175199630.db2.gz GHHPZINVYUPYHJ-CYBMUJFWSA-N 1 0 221.300 1.655 10 0 BDAERO COc1ccc2c(C[NH3+])cc(=O)oc2c1 ZINC000007650414 175204520 /nfs/dbraw/zinc/20/45/20/175204520.db2.gz JTWMBPZRYBLNNG-UHFFFAOYSA-N 1 0 205.213 1.260 10 0 BDAERO COc1ccc2c(c1)CCN1CC[NH2+]C[C@H]21 ZINC000019788463 175208845 /nfs/dbraw/zinc/20/88/45/175208845.db2.gz QXZGJWUEOVJBBU-CYBMUJFWSA-N 1 0 218.300 1.198 10 0 BDAERO COc1ccc2c(c1)C[C@]1(C[NH+]=CN1)CC2 ZINC000013743730 175210668 /nfs/dbraw/zinc/21/06/68/175210668.db2.gz PCMFDIVLXLOWGP-ZDUSSCGKSA-N 1 0 216.284 1.554 10 0 BDAERO COc1ccc2c(c1)[C@H](c1cnn(C)c1)[NH2+]CC2 ZINC000083695891 175217128 /nfs/dbraw/zinc/21/71/28/175217128.db2.gz NRIGNSFSVFIWFR-AWEZNQCLSA-N 1 0 243.310 1.664 10 0 BDAERO COc1ccc2c(c1)nc(CC[NH3+])n2C1CC1 ZINC000075975694 175218749 /nfs/dbraw/zinc/21/87/49/175218749.db2.gz WMGQMKZRRDNUBB-UHFFFAOYSA-N 1 0 231.299 1.881 10 0 BDAERO COc1ccc2c(c1Cl)CNC(=[NH2+])N2 ZINC000075620997 175220879 /nfs/dbraw/zinc/22/08/79/175220879.db2.gz KUBVIHNCWMUYTN-UHFFFAOYSA-N 1 0 211.652 1.398 10 0 BDAERO COc1ccc2oc(N3CCC[NH2+]CC3)nc2c1 ZINC000062535246 175231255 /nfs/dbraw/zinc/23/12/55/175231255.db2.gz SPZPGPAXJUMWHL-UHFFFAOYSA-N 1 0 247.298 1.636 10 0 BDAERO COc1cccc(-n2nc(C)c(CC[NH3+])c2C)c1 ZINC000041296213 175239387 /nfs/dbraw/zinc/23/93/87/175239387.db2.gz DCEGKZZEDWVBMV-UHFFFAOYSA-N 1 0 245.326 1.999 10 0 BDAERO COc1cccc(CC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000041232484 175250903 /nfs/dbraw/zinc/25/09/03/175250903.db2.gz XJSOQIYNNCIGMF-GFCCVEGCSA-N 1 0 219.284 1.559 10 0 BDAERO COc1cccc(CC[NH3+])c1O[C@@H]1CCOC1 ZINC000070072607 175251839 /nfs/dbraw/zinc/25/18/39/175251839.db2.gz DNUJDEXFFNRUNR-LLVKDONJSA-N 1 0 237.299 1.364 10 0 BDAERO COc1cccc(CCSCC[NH3+])c1 ZINC000057939160 175252765 /nfs/dbraw/zinc/25/27/65/175252765.db2.gz LVJJDVORPDYNDU-UHFFFAOYSA-N 1 0 211.330 1.930 10 0 BDAERO COc1cccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)n1 ZINC000294700139 175258597 /nfs/dbraw/zinc/25/85/97/175258597.db2.gz BGCCGQISXAXAHW-PWSUYJOCSA-N 1 0 236.315 1.435 10 0 BDAERO COc1cccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)n1 ZINC000294700137 175259061 /nfs/dbraw/zinc/25/90/61/175259061.db2.gz BGCCGQISXAXAHW-CMPLNLGQSA-N 1 0 236.315 1.435 10 0 BDAERO COc1cccc(C[N@@H+]2CC[C@@H](CCO)C2)c1 ZINC000107936389 175260326 /nfs/dbraw/zinc/26/03/26/175260326.db2.gz RQKHZOSEBGVFQN-LBPRGKRZSA-N 1 0 235.327 1.900 10 0 BDAERO COc1cccc(C[C@H]([NH3+])CN(C)C)c1 ZINC000071511247 175272214 /nfs/dbraw/zinc/27/22/14/175272214.db2.gz XVKKTQMMAWSPJH-NSHDSACASA-N 1 0 208.305 1.127 10 0 BDAERO COc1cccc(Cc2nnc(CC[NH3+])o2)c1 ZINC000019733044 175273020 /nfs/dbraw/zinc/27/30/20/175273020.db2.gz JPPNJHCNXZPJBN-UHFFFAOYSA-N 1 0 233.271 1.170 10 0 BDAERO COc1cccc(F)c1-c1nnc(CC[NH3+])o1 ZINC000083364525 175273839 /nfs/dbraw/zinc/27/38/39/175273839.db2.gz OPYOFEGADCEWAM-UHFFFAOYSA-N 1 0 237.234 1.386 10 0 BDAERO COc1cccc(N2CCC[NH2+]CCC2)c1 ZINC000049665513 175275037 /nfs/dbraw/zinc/27/50/37/175275037.db2.gz TYFTYHGINGTYJX-UHFFFAOYSA-N 1 0 220.316 1.885 10 0 BDAERO COc1cccc(N(C)C[C@H](C)C[NH3+])c1 ZINC000049814328 175275146 /nfs/dbraw/zinc/27/51/46/175275146.db2.gz CLVGMIZKLZOUSO-SNVBAGLBSA-N 1 0 208.305 1.726 10 0 BDAERO COc1cccc(NC(=O)C[C@@H](C)C[NH3+])c1 ZINC000076611155 175276078 /nfs/dbraw/zinc/27/60/78/175276078.db2.gz RRIYPIJDPLQCCQ-SECBINFHSA-N 1 0 222.288 1.619 10 0 BDAERO COc1cccc(NC(=O)N[C@H]2CCC[C@H]2[NH3+])c1 ZINC000063174367 175277375 /nfs/dbraw/zinc/27/73/75/175277375.db2.gz LMBZCFANOBIDGD-NEPJUHHUSA-N 1 0 249.314 1.697 10 0 BDAERO COc1cccc(OCCC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000041303415 175282958 /nfs/dbraw/zinc/28/29/58/175282958.db2.gz NHVMEHKLIAIXNO-CYBMUJFWSA-N 1 0 249.310 1.785 10 0 BDAERO COc1cccc(OCCC[NH3+])c1OC ZINC000011569620 175283378 /nfs/dbraw/zinc/28/33/78/175283378.db2.gz XETIAZVIOFAWAT-UHFFFAOYSA-N 1 0 211.261 1.431 10 0 BDAERO COc1cccc([C@@H](O)C[C@@H]2CC[NH2+]C2)c1 ZINC000134127826 175290208 /nfs/dbraw/zinc/29/02/08/175290208.db2.gz MQVNHHXGWCBFIB-GWCFXTLKSA-N 1 0 221.300 1.728 10 0 BDAERO COc1cccc([C@@]2(C)C[C@]2(C[NH3+])CO)c1 ZINC000070501077 175291745 /nfs/dbraw/zinc/29/17/45/175291745.db2.gz PAJBSKKLHBYYCX-OLZOCXBDSA-N 1 0 221.300 1.294 10 0 BDAERO COc1cccc([C@H]([C@H](C)[NH3+])n2ccnc2)c1 ZINC000043028751 175296172 /nfs/dbraw/zinc/29/61/72/175296172.db2.gz GKWRMOWNVPNADO-GWCFXTLKSA-N 1 0 231.299 1.828 10 0 BDAERO COc1cccc([C@](C)([NH2+]CC2CC2)C(N)=O)c1 ZINC000037952164 175296948 /nfs/dbraw/zinc/29/69/48/175296948.db2.gz GEKBOTOUFIUFFP-AWEZNQCLSA-N 1 0 248.326 1.395 10 0 BDAERO COc1cccc2[nH]c3c(c21)CC[NH2+]C3 ZINC000025964310 175297717 /nfs/dbraw/zinc/29/77/17/175297717.db2.gz VPZWHBCLJCKHGZ-UHFFFAOYSA-N 1 0 202.257 1.822 10 0 in-vivo BDAERO COc1cccc2c1CC[C@@]1(C[NH+]=CN1)C2 ZINC000013743736 175302790 /nfs/dbraw/zinc/30/27/90/175302790.db2.gz YTCVRHOTCDVIGI-ZDUSSCGKSA-N 1 0 216.284 1.554 10 0 BDAERO COc1cccc2ccn(CCC[NH3+])c21 ZINC000011919628 175307281 /nfs/dbraw/zinc/30/72/81/175307281.db2.gz GVQLTAXTYMLIBV-UHFFFAOYSA-N 1 0 204.273 1.999 10 0 BDAERO COc1cccc2ncn([C@H]3CCC[NH2+]C3)c21 ZINC000215835239 175308208 /nfs/dbraw/zinc/30/82/08/175308208.db2.gz KCCKOXGRCYIIBY-JTQLQIEISA-N 1 0 231.299 1.969 10 0 BDAERO COc1ccccc1-c1ncc(C[NH3+])cn1 ZINC000054855275 175311475 /nfs/dbraw/zinc/31/14/75/175311475.db2.gz SXLAAJIGTGVNBD-UHFFFAOYSA-N 1 0 215.256 1.611 10 0 BDAERO COc1ccccc1C[C@H]([NH3+])[C@@H]1CCOC1 ZINC000048627566 175333398 /nfs/dbraw/zinc/33/33/98/175333398.db2.gz YXDNEVXTSXVVRP-NEPJUHHUSA-N 1 0 221.300 1.602 10 0 BDAERO COc1ccccc1C[C@H]1C[NH2+]CC[C@H]1O ZINC000071522978 175333909 /nfs/dbraw/zinc/33/39/09/175333909.db2.gz OFRGYTOBYRAXTE-NWDGAFQWSA-N 1 0 221.300 1.208 10 0 BDAERO COc1ccccc1Cc1noc(C[C@@H](C)[NH3+])n1 ZINC000040907229 175335049 /nfs/dbraw/zinc/33/50/49/175335049.db2.gz KVRDZUHELNPVSV-SECBINFHSA-N 1 0 247.298 1.559 10 0 BDAERO COc1ccccc1N[C@H]1CCC[NH2+]C1 ZINC000034566150 175339226 /nfs/dbraw/zinc/33/92/26/175339226.db2.gz GBBPIIWZBMKROE-JTQLQIEISA-N 1 0 206.289 1.859 10 0 BDAERO COc1ccccc1OCCOCC[NH3+] ZINC000020221434 175341723 /nfs/dbraw/zinc/34/17/23/175341723.db2.gz ZANBOSOAYPBWCL-UHFFFAOYSA-N 1 0 211.261 1.049 10 0 BDAERO COc1ccccc1OC[C@@H]1CCC[NH2+]1 ZINC000020221594 175341901 /nfs/dbraw/zinc/34/19/01/175341901.db2.gz RKGKCHBDKRVJAV-JTQLQIEISA-N 1 0 207.273 1.826 10 0 BDAERO COc1ccccc1O[C@H]1CCC[C@H]1[NH3+] ZINC000022563643 175342384 /nfs/dbraw/zinc/34/23/84/175342384.db2.gz PHWWMBAWCPINOL-ZJUUUORDSA-N 1 0 207.273 1.954 10 0 BDAERO COc1ccccc1[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000032013940 175347569 /nfs/dbraw/zinc/34/75/69/175347569.db2.gz ZWAQIBCEDLEGAG-GWCFXTLKSA-N 1 0 221.300 1.728 10 0 BDAERO COc1ccccc1[C@@H]([NH3+])Cn1ccnc1 ZINC000038808999 175347759 /nfs/dbraw/zinc/34/77/59/175347759.db2.gz BVGDTEVVTJOUNI-NSHDSACASA-N 1 0 217.272 1.592 10 0 BDAERO COc1ccccc1[C@@]1(C)C[C@]1(C[NH3+])CO ZINC000070500102 175350386 /nfs/dbraw/zinc/35/03/86/175350386.db2.gz IGUGYOZOKPAQEH-OLZOCXBDSA-N 1 0 221.300 1.294 10 0 BDAERO COc1ccccc1[C@]1(C)C[C@]1(C[NH3+])CO ZINC000070500103 175356562 /nfs/dbraw/zinc/35/65/62/175356562.db2.gz IGUGYOZOKPAQEH-STQMWFEESA-N 1 0 221.300 1.294 10 0 BDAERO COc1ccsc1C[NH2+][C@@H]1CCCNC1=O ZINC000309835283 175377666 /nfs/dbraw/zinc/37/76/66/175377666.db2.gz AYNIBFPBJKZWHQ-MRVPVSSYSA-N 1 0 240.328 1.125 10 0 BDAERO COc1cncc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000035837714 175386805 /nfs/dbraw/zinc/38/68/05/175386805.db2.gz QTYHSYUWBGUQAG-CQSZACIVSA-N 1 0 247.342 1.622 10 0 BDAERO COc1nc(C)c(C[NH2+]C[C@@H]2CCCO2)s1 ZINC000045205494 175389244 /nfs/dbraw/zinc/38/92/44/175389244.db2.gz RXEDSHYZQGLWJE-VIFPVBQESA-N 1 0 242.344 1.729 10 0 BDAERO COc1nc(N[C@H](C)CC[NH+](C)C)ccc1N ZINC000049555347 175395341 /nfs/dbraw/zinc/39/53/41/175395341.db2.gz TYCZUFQLMYBTNY-SECBINFHSA-N 1 0 238.335 1.425 10 0 BDAERO CS(=O)(=O)CC[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000044467499 175424448 /nfs/dbraw/zinc/42/44/48/175424448.db2.gz WKFLAVFTIZHFAY-ZYHUDNBSSA-N 1 0 239.340 1.293 10 0 BDAERO CSC1(C[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000336674263 175451723 /nfs/dbraw/zinc/45/17/23/175451723.db2.gz BCAIDDOKMGIMRX-VIFPVBQESA-N 1 0 217.378 1.879 10 0 BDAERO CSc1nccnc1CN1CCC[C@@H]([NH3+])C1 ZINC000095071915 175591016 /nfs/dbraw/zinc/59/10/16/175591016.db2.gz VTJXHUVZFKVNLO-SECBINFHSA-N 1 0 238.360 1.122 10 0 BDAERO C[C@@H](CC(N)=[NH2+])N(C)c1nc2ccccc2o1 ZINC000063092599 175639342 /nfs/dbraw/zinc/63/93/42/175639342.db2.gz UGVSRPVAOSDTSG-QMMMGPOBSA-N 1 0 232.287 1.979 10 0 BDAERO C[C@@H](CC(N)=S)[NH+]1CCCCCC1 ZINC000041210414 175654323 /nfs/dbraw/zinc/65/43/23/175654323.db2.gz HVNFNJMKJIUPMT-VIFPVBQESA-N 1 0 200.351 1.927 10 0 BDAERO C[C@@H](CN(C)c1ncnc2ccccc21)C(N)=[NH2+] ZINC000042459943 175703955 /nfs/dbraw/zinc/70/39/55/175703955.db2.gz GQDVMBAERIXCJT-VIFPVBQESA-N 1 0 243.314 1.638 10 0 BDAERO C[C@@H](C[NH3+])CN(C)c1ncccc1Cl ZINC000042455672 175707578 /nfs/dbraw/zinc/70/75/78/175707578.db2.gz WJDJFHAZIRBVSQ-QMMMGPOBSA-N 1 0 213.712 1.766 10 0 BDAERO C[C@@H](C[NH3+])N1CCc2ccccc2C1=O ZINC000082093867 175709973 /nfs/dbraw/zinc/70/99/73/175709973.db2.gz RDPFIDAGQMWRGU-VIFPVBQESA-N 1 0 204.273 1.032 10 0 BDAERO C[C@@H]([NH3+])CCCOc1ccc2c(c1)OCO2 ZINC000041242256 175804697 /nfs/dbraw/zinc/80/46/97/175804697.db2.gz CIKHVPBPEHJFHQ-SECBINFHSA-N 1 0 223.272 1.922 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(-c2cccnc2)c[nH]1 ZINC000037476832 175807778 /nfs/dbraw/zinc/80/77/78/175807778.db2.gz WVRXECGINWJWKT-MRVPVSSYSA-N 1 0 202.261 1.361 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1cc(Cl)ccc1O ZINC000082915015 175809729 /nfs/dbraw/zinc/80/97/29/175809729.db2.gz VVOKHQWZHSPTQA-MLUIRONXSA-N 1 0 201.653 1.426 10 0 BDAERO C[C@@H]([NH3+])[C@](O)(c1ccccc1F)C(F)(F)F ZINC000062784530 175814908 /nfs/dbraw/zinc/81/49/08/175814908.db2.gz VVTDRTBWIUJPNB-MUWHJKNJSA-N 1 0 237.196 1.923 10 0 BDAERO C[C@@H](NC(=O)CC[NH3+])c1cc(F)ccc1F ZINC000037007666 175829795 /nfs/dbraw/zinc/82/97/95/175829795.db2.gz FIGSOLCYONMHMS-SSDOTTSWSA-N 1 0 228.242 1.491 10 0 BDAERO C[C@@H](NC(=O)CCCCCC[NH3+])[C@@H]1CCCO1 ZINC000035734925 175830249 /nfs/dbraw/zinc/83/02/49/175830249.db2.gz CTIRFPVFWBMMBY-NEPJUHHUSA-N 1 0 242.363 1.579 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000035126817 175845405 /nfs/dbraw/zinc/84/54/05/175845405.db2.gz QIJUAZBMVZQDCX-MWLCHTKSSA-N 1 0 219.288 1.011 10 0 BDAERO C[C@@H](O)CC[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000096033779 175959987 /nfs/dbraw/zinc/95/99/87/175959987.db2.gz WDHKKXMPXDJQDH-OPRDCNLKSA-N 1 0 201.310 1.303 10 0 BDAERO C[C@@H](Oc1ccccc1C=O)C1=[NH+]CCN1 ZINC000073312440 176005562 /nfs/dbraw/zinc/00/55/62/176005562.db2.gz UQOROHPPKUMVNP-SECBINFHSA-N 1 0 218.256 1.268 10 0 BDAERO C[C@@H](Oc1ccccc1CC[NH3+])C(=O)N(C)C ZINC000037720529 176005737 /nfs/dbraw/zinc/00/57/37/176005737.db2.gz RBYKOKYHHAGLRX-SNVBAGLBSA-N 1 0 236.315 1.043 10 0 BDAERO C[C@@H]([C@@H]1CCCC[NH2+]1)N1CCCCC1=O ZINC000035690817 176011765 /nfs/dbraw/zinc/01/17/65/176011765.db2.gz HGYDRQIAGVCCIE-QWRGUYRKSA-N 1 0 210.321 1.530 10 0 BDAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCC[C@H](O)C1 ZINC000040908202 176017784 /nfs/dbraw/zinc/01/77/84/176017784.db2.gz IGMRXORAQPSFIV-GWCFXTLKSA-N 1 0 220.316 1.787 10 0 BDAERO C[C@@H](c1ccccc1F)N1CC[C@@H]([NH3+])C1=O ZINC000049660020 176024549 /nfs/dbraw/zinc/02/45/49/176024549.db2.gz YYOAJJGFNSXWMD-GZMMTYOYSA-N 1 0 222.263 1.446 10 0 BDAERO C[C@@H](c1ccccc1Cl)N1C[C@@H]([NH3+])CC1=O ZINC000049511380 176025109 /nfs/dbraw/zinc/02/51/09/176025109.db2.gz ULMWVZHNUOOHEH-IUCAKERBSA-N 1 0 238.718 1.961 10 0 BDAERO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H]1CO ZINC000074184809 176027717 /nfs/dbraw/zinc/02/77/17/176027717.db2.gz CRKTXBIAWCCNQD-WDEREUQCSA-N 1 0 206.289 1.599 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cccnc1=O ZINC000053500142 176081128 /nfs/dbraw/zinc/08/11/28/176081128.db2.gz KZVSCBASBHHLCP-NEPJUHHUSA-N 1 0 235.331 1.412 10 0 BDAERO C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291053 176104908 /nfs/dbraw/zinc/10/49/08/176104908.db2.gz CBOFWOFWSMRDSQ-MNOVXSKESA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1CCCN1Cc1csc(C[NH3+])n1 ZINC000052375938 176110840 /nfs/dbraw/zinc/11/08/40/176110840.db2.gz HUENTIQXFBBDGA-MRVPVSSYSA-N 1 0 211.334 1.586 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)NCC(C)(C)C)[NH2+]1 ZINC000040494903 176112631 /nfs/dbraw/zinc/11/26/31/176112631.db2.gz MDUIDSVJVIPAJU-ZJUUUORDSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)NCC(F)(F)F)[NH2+]1 ZINC000019503582 176112969 /nfs/dbraw/zinc/11/29/69/176112969.db2.gz HKNZCBPDBBAUIN-RQJHMYQMSA-N 1 0 224.226 1.196 10 0 BDAERO C[C@@H]1CCC[C@@H](C)N1C(=O)C(C)(C)C[NH3+] ZINC000044751188 176114315 /nfs/dbraw/zinc/11/43/15/176114315.db2.gz GOGSSVPMRBESTA-NXEZZACHSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@@H]1CCC[C@@H](CN2CCCOC2=O)[NH2+]1 ZINC000051574899 176118003 /nfs/dbraw/zinc/11/80/03/176118003.db2.gz WEPRRVJURCIHGU-ZJUUUORDSA-N 1 0 212.293 1.359 10 0 BDAERO C[C@@H]1CCC[C@@H](CNC(=O)C2CCC2)[NH2+]1 ZINC000051572937 176119076 /nfs/dbraw/zinc/11/90/76/176119076.db2.gz GYLZRKCUSSCZJD-KOLCDFICSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@@H]1CCC[C@@]([NH2+]C[C@@H]2CCCO2)(C(N)=O)C1 ZINC000037942948 176133806 /nfs/dbraw/zinc/13/38/06/176133806.db2.gz RZKHRYYSHQFHBF-MDZLAQPJSA-N 1 0 240.347 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491150405 /nfs/dbraw/zinc/15/04/05/491150405.db2.gz FBHIWJQSZVGQIV-GRYCIOLGSA-N 1 0 223.320 1.165 10 0 BDAERO COCc1cnc(C[NH2+]C[C@H]2CCCO2)s1 ZINC000309852393 491157481 /nfs/dbraw/zinc/15/74/81/491157481.db2.gz JISATNGGFRECKC-SECBINFHSA-N 1 0 242.344 1.558 10 0 BDAERO COc1ccc([C@H]2CC[NH+]=C(N)N2)cc1F ZINC000234975399 582500602 /nfs/dbraw/zinc/50/06/02/582500602.db2.gz SYRYTANDIYMJKW-SECBINFHSA-N 1 0 223.251 1.183 10 0 BDAERO FCCCN1CCC[C@@]12CCC[NH2+]C2 ZINC000757126755 582501578 /nfs/dbraw/zinc/50/15/78/582501578.db2.gz GZMXGMYPSJXRAJ-LLVKDONJSA-N 1 0 200.301 1.564 10 0 BDAERO CC[C@@]1(C)CCO[C@@]2(CN3CCC2CC3)[NH2+]1 ZINC000757145372 582527309 /nfs/dbraw/zinc/52/73/09/582527309.db2.gz IEWSWYXOGMFYIG-QWHCGFSZSA-N 1 0 224.348 1.587 10 0 BDAERO CC1(C)C[C@@]2(CO1)[NH2+][C@H](C1CC1)CCO2 ZINC000757148567 582533264 /nfs/dbraw/zinc/53/32/64/582533264.db2.gz VHUAXIDARJTVMN-CMPLNLGQSA-N 1 0 211.305 1.670 10 0 BDAERO CN1CC[C@]2(C1)[NH2+]CC1(CCCCC1)CO2 ZINC000757149003 582532839 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ZINC000382354997 585037114 /nfs/dbraw/zinc/03/71/14/585037114.db2.gz GRIYARNQLRYJJF-SNVBAGLBSA-N 1 0 224.329 1.289 10 0 BDAERO C[NH2+]CC(=O)Cc1ccc(Cl)c(C)c1 ZINC000757160772 585329506 /nfs/dbraw/zinc/32/95/06/585329506.db2.gz TUNSZWWQSZUCNE-UHFFFAOYSA-N 1 0 211.692 1.979 10 0 BDAERO C1C[C@@]2(CO1)[NH2+]C1(CCCCC1)CCO2 ZINC000757145394 586428127 /nfs/dbraw/zinc/42/81/27/586428127.db2.gz IJCVGYCAJYKCHM-GFCCVEGCSA-N 1 0 211.305 1.816 10 0 BDAERO C1CC1[C@H]1C[NH2+][C@@]2(CCCSC2)OC1 ZINC000757144143 586428319 /nfs/dbraw/zinc/42/83/19/586428319.db2.gz FZVVUJIENUOMOS-QWRGUYRKSA-N 1 0 213.346 1.856 10 0 BDAERO C[C@H]1C[C@H](C)CC2(C1)[NH2+]C1(COC1)CCO2 ZINC000757145785 586428503 /nfs/dbraw/zinc/42/85/03/586428503.db2.gz IRSDKMZZHPVXDD-QWRGUYRKSA-N 1 0 225.332 1.918 10 0 BDAERO [NH3+]C[C@H]1CCN1c1nnc(C(F)(F)F)s1 ZINC000757151703 586429409 /nfs/dbraw/zinc/42/94/09/586429409.db2.gz QJUVRPUCBZILJN-SCSAIBSYSA-N 1 0 238.238 1.094 10 0 BDAERO CC1(C)C[C@]2(CO1)[NH2+]CCC1(CCC1)O2 ZINC000757152972 586429435 /nfs/dbraw/zinc/42/94/35/586429435.db2.gz VGZCGWJSISNJAT-LBPRGKRZSA-N 1 0 211.305 1.814 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@]2([NH3+])C[C@@H]2C1 ZINC000757175254 586433232 /nfs/dbraw/zinc/43/32/32/586433232.db2.gz KVKXZCMOLBVQBH-SKDRFNHKSA-N 1 0 226.320 1.735 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]CC12CCSCC2 ZINC000757183269 586433587 /nfs/dbraw/zinc/43/35/87/586433587.db2.gz AJMISHILYXGBQU-SECBINFHSA-N 1 0 229.345 1.282 10 0 BDAERO Cc1ccnc2ncn([C@@H]3CCC[NH2+]C3)c(=O)c12 ZINC000757178080 586433759 /nfs/dbraw/zinc/43/37/59/586433759.db2.gz RWNVOFAKDMNIMU-SNVBAGLBSA-N 1 0 244.298 1.024 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)nc1 ZINC000757189369 586434927 /nfs/dbraw/zinc/43/49/27/586434927.db2.gz NDSRXOGFUYFUBE-VHSXEESVSA-N 1 0 238.262 1.087 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)o1 ZINC000757191332 586435638 /nfs/dbraw/zinc/43/56/38/586435638.db2.gz UHXZTBSUDHNKDY-BQBZGAKWSA-N 1 0 229.663 1.409 10 0 BDAERO CC(=O)c1ccc([C@@H]2NCC[C@H](C)[C@H]2[NH3+])cc1 ZINC000757215897 586440633 /nfs/dbraw/zinc/44/06/33/586440633.db2.gz NZWDGFVQESJCOR-FZZIBODNSA-N 1 0 232.327 1.887 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757220043 586442071 /nfs/dbraw/zinc/44/20/71/586442071.db2.gz ZSERAYIDWPRVBB-JOYOIKCWSA-N 1 0 234.299 1.384 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1C[C@@H](C)[C@@H]([NH3+])CN1 ZINC000757228300 586442832 /nfs/dbraw/zinc/44/28/32/586442832.db2.gz CFPSWWQBWURNFQ-ICCXJUOJSA-N 1 0 219.332 1.575 10 0 BDAERO CC(C)(C)n1cc([C@H]2NCCC[C@@H]2[NH3+])cn1 ZINC000757235853 586443586 /nfs/dbraw/zinc/44/35/86/586443586.db2.gz MXQAGOWHVHDLIH-WDEREUQCSA-N 1 0 222.336 1.390 10 0 BDAERO C[C@@H](CCO)[NH2+][C@@H]1CCOc2ccccc21 ZINC000122854784 589639663 /nfs/dbraw/zinc/63/96/63/589639663.db2.gz NSRKEYLWDCTIQV-CMPLNLGQSA-N 1 0 221.300 1.871 10 0 BDAERO CC[C@H]1CN(c2ncnc3c2CCC3)CC[C@@H]1[NH3+] ZINC000123057230 589658466 /nfs/dbraw/zinc/65/84/66/589658466.db2.gz WSQYBBBADHNXSZ-JQWIXIFHSA-N 1 0 246.358 1.529 10 0 BDAERO O=C(C[NH2+]CCc1ccccc1)NCC1CC1 ZINC000020050694 590070562 /nfs/dbraw/zinc/07/05/62/590070562.db2.gz SABSRRLXPMGMAK-UHFFFAOYSA-N 1 0 232.327 1.345 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCCCCCC1 ZINC000020265873 590093655 /nfs/dbraw/zinc/09/36/55/590093655.db2.gz CXNQOXUFORVBEI-LBPRGKRZSA-N 1 0 224.348 1.779 10 0 BDAERO C[NH2+]CC1CCN(c2cncc(Cl)n2)CC1 ZINC000126475448 590317134 /nfs/dbraw/zinc/31/71/34/590317134.db2.gz HRWKBFMPWFFSIL-UHFFFAOYSA-N 1 0 240.738 1.566 10 0 BDAERO CC[C@H]1CN(c2cncc(Cl)n2)CC[C@@H]1[NH3+] ZINC000126511310 590323791 /nfs/dbraw/zinc/32/37/91/590323791.db2.gz LTEFVPWZFOZLNQ-IUCAKERBSA-N 1 0 240.738 1.694 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc(F)cc2C)n1 ZINC000127599448 590717416 /nfs/dbraw/zinc/71/74/16/590717416.db2.gz BNIYHOCQGRMMKY-UHFFFAOYSA-N 1 0 235.262 1.946 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCSC)C[C@H]1C ZINC000130206147 591447256 /nfs/dbraw/zinc/44/72/56/591447256.db2.gz ASLUIKSDTZQPKQ-BDAKNGLRSA-N 1 0 217.334 1.090 10 0 BDAERO Cc1nn(-c2cccc(F)c2)cc1C(N)=[NH2+] ZINC000213191797 591454736 /nfs/dbraw/zinc/45/47/36/591454736.db2.gz IVJBGNILSKUYJB-UHFFFAOYSA-N 1 0 218.235 1.604 10 0 BDAERO CO[C@@H](c1noc(CC(C)(C)[NH3+])n1)C1CC1 ZINC000131250626 591579379 /nfs/dbraw/zinc/57/93/79/591579379.db2.gz AHZVEWTZCJLHRA-SECBINFHSA-N 1 0 225.292 1.447 10 0 BDAERO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@@H]1CCCO ZINC000214552181 591609242 /nfs/dbraw/zinc/60/92/42/591609242.db2.gz XEGMYHFGKCSVEY-SEVUFMINSA-N 1 0 241.331 1.343 10 0 BDAERO c1ccc2c(c1)OC[C@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000132265384 591696995 /nfs/dbraw/zinc/69/69/95/591696995.db2.gz RFQRFQNKMXYSAS-DGCLKSJQSA-N 1 0 232.327 1.709 10 0 BDAERO C[NH+](C)[C@H]1CCCN(C(=O)N2CCCCC2)C1 ZINC000134305676 591914600 /nfs/dbraw/zinc/91/46/00/591914600.db2.gz YFJNQIYGRPUBDF-LBPRGKRZSA-N 1 0 239.363 1.618 10 0 BDAERO COC(C[NH2+][C@H](C)c1cncc(F)c1)OC ZINC000218058406 592151232 /nfs/dbraw/zinc/15/12/32/592151232.db2.gz ALWXGFAOTLIZKI-MRVPVSSYSA-N 1 0 228.267 1.490 10 0 BDAERO Cc1nn(-c2cccc(C)c2)cc1C[NH3+] ZINC000219932849 592265769 /nfs/dbraw/zinc/26/57/69/592265769.db2.gz DXIHDFMHIJOWNL-UHFFFAOYSA-N 1 0 201.273 1.948 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCC(C)(C)OC)C[C@H]1C ZINC000300065366 592502661 /nfs/dbraw/zinc/50/26/61/592502661.db2.gz ULBMXEPNNBPKTJ-MNOVXSKESA-N 1 0 243.347 1.542 10 0 BDAERO C[C@@H]1C[N@H+](CCCCCCO)C[C@H]1N(C)C ZINC000300332619 592506840 /nfs/dbraw/zinc/50/68/40/592506840.db2.gz OWWSSVFFBAJFOW-CHWSQXEVSA-N 1 0 228.380 1.421 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2COCC2(C)C)C1 ZINC000313071241 634445174 /nfs/dbraw/zinc/44/51/74/634445174.db2.gz FFMLCQXLHSNYRO-WDEREUQCSA-N 1 0 212.337 1.095 10 0 BDAERO c1ccc(N2CCC[C@@]23CC[NH2+]C3)nc1 ZINC000257687251 634463040 /nfs/dbraw/zinc/46/30/40/634463040.db2.gz IHACTUSYUYEVFZ-LBPRGKRZSA-N 1 0 203.289 1.414 10 0 BDAERO Cc1coc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000257733947 634485721 /nfs/dbraw/zinc/48/57/21/634485721.db2.gz VKFVSYIOSRJQKX-VIFPVBQESA-N 1 0 208.261 1.151 10 0 BDAERO [NH3+]CC[C@@H]1CCN(c2ncnc3c2CCC3)C1 ZINC000125443962 634500403 /nfs/dbraw/zinc/50/04/03/634500403.db2.gz IQYRANGECXZYRJ-SNVBAGLBSA-N 1 0 232.331 1.140 10 0 BDAERO Cc1cc2c(N3CC[C@@H](CC[NH3+])C3)nccn2n1 ZINC000125446322 634502210 /nfs/dbraw/zinc/50/22/10/634502210.db2.gz KOSOSBSKZFYAGV-LLVKDONJSA-N 1 0 245.330 1.213 10 0 BDAERO COC(=O)[C@H]1C[N@H+](Cc2ccco2)C[C@H]1C ZINC000095019676 635406663 /nfs/dbraw/zinc/40/66/63/635406663.db2.gz XWDDMIWMIIWCQB-KOLCDFICSA-N 1 0 223.272 1.521 10 0 BDAERO Cc1cnc([C@@H](C)Nc2cc(C)[nH+]c(N)n2)o1 ZINC000235287090 635571660 /nfs/dbraw/zinc/57/16/60/635571660.db2.gz UTFPIPRPYLJUHF-MRVPVSSYSA-N 1 0 233.275 1.837 10 0 BDAERO C[Si](C)(C)C[N@@H+]1CC[C@H](CCO)C1 ZINC000308373468 631312955 /nfs/dbraw/zinc/31/29/55/631312955.db2.gz LXXRBEGZEWIKCP-SNVBAGLBSA-N 1 0 201.386 1.568 10 0 BDAERO COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H](C)O ZINC000308611234 631343882 /nfs/dbraw/zinc/34/38/82/631343882.db2.gz QRXXJYZHXLHUNS-AXFHLTTASA-N 1 0 203.326 1.406 10 0 BDAERO [NH3+]C1CC(CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC000090987237 631485541 /nfs/dbraw/zinc/48/55/41/631485541.db2.gz MPYBEPYVGKXOGO-QEIKUCIBSA-N 1 0 230.311 1.180 10 0 BDAERO [NH3+]CCCCCCC(=O)NC[C@H]1CCC[C@H]1O ZINC000089169887 631497659 /nfs/dbraw/zinc/49/76/59/631497659.db2.gz RSIBUWIBSMCWPB-VXGBXAGGSA-N 1 0 242.363 1.173 10 0 BDAERO C[C@H]([NH3+])CCNC(=O)[C@@H](C)Cc1ccccc1 ZINC000178698212 635654618 /nfs/dbraw/zinc/65/46/18/635654618.db2.gz UYBADFJJTXWSJT-RYUDHWBXSA-N 1 0 234.343 1.719 10 0 BDAERO COC1CC([NH2+]Cc2ncnn2C(C)C)C1 ZINC000234707050 631669249 /nfs/dbraw/zinc/66/92/49/631669249.db2.gz BWMNTXIISMBCPM-UHFFFAOYSA-N 1 0 224.308 1.126 10 0 BDAERO CC[C@H](SC)c1nc([C@H](C)C[NH3+])no1 ZINC000308822700 631676310 /nfs/dbraw/zinc/67/63/10/631676310.db2.gz CNUWAZUECVSBRF-RQJHMYQMSA-N 1 0 215.322 1.946 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCCCCCC1 ZINC000062112577 631693754 /nfs/dbraw/zinc/69/37/54/631693754.db2.gz JSFIERXWEOJQNS-LLVKDONJSA-N 1 0 210.321 1.389 10 0 BDAERO CC[C@H](SC)c1nc([C@@H](C)C[NH3+])no1 ZINC000308822697 631840017 /nfs/dbraw/zinc/84/00/17/631840017.db2.gz CNUWAZUECVSBRF-BQBZGAKWSA-N 1 0 215.322 1.946 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc(C)c(F)c2)n1 ZINC000051850796 631965707 /nfs/dbraw/zinc/96/57/07/631965707.db2.gz YHGQYIPPQGACAM-UHFFFAOYSA-N 1 0 235.262 1.946 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc(Cl)nc1 ZINC000309411401 632049381 /nfs/dbraw/zinc/04/93/81/632049381.db2.gz IPYQYPIOKXWPTA-VXNVDRBHSA-N 1 0 239.706 1.274 10 0 BDAERO c1nc2c([nH]1)[C@H]([C@H]1CCCCO1)[NH2+]CC2 ZINC000259559485 632060695 /nfs/dbraw/zinc/06/06/95/632060695.db2.gz VLIHAXDDKHOPMN-KOLCDFICSA-N 1 0 207.277 1.166 10 0 BDAERO OCC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000161592751 632097803 /nfs/dbraw/zinc/09/78/03/632097803.db2.gz MMEAAQSILHACFF-JTQLQIEISA-N 1 0 240.734 1.939 10 0 BDAERO [NH3+][C@@H]1CC[C@H](c2nc(C[C@H]3CCCO3)no2)C1 ZINC000251425296 635705028 /nfs/dbraw/zinc/70/50/28/635705028.db2.gz STVRXTAVVKNPPX-IVZWLZJFSA-N 1 0 237.303 1.386 10 0 BDAERO Cc1nc([C@H](C)[NH2+]CCC2OCCO2)cs1 ZINC000309459821 632099120 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633146209 /nfs/dbraw/zinc/14/62/09/633146209.db2.gz DFNGSAQHCFSAEL-MJBXVCDLSA-N 1 0 217.312 1.903 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ccc(OC(F)F)cn1 ZINC000328052783 633227752 /nfs/dbraw/zinc/22/77/52/633227752.db2.gz PFOWOMOQHQUAHN-ZETCQYMHSA-N 1 0 231.246 1.466 10 0 BDAERO C[C@@H]1CN(C/C=C/Cl)C[C@H]1[NH+](C)C ZINC000307742330 635994858 /nfs/dbraw/zinc/99/48/58/635994858.db2.gz KGWNOBNOALKUFY-NUNSBDKSSA-N 1 0 202.729 1.621 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2CO)no1 ZINC000309871788 633885820 /nfs/dbraw/zinc/88/58/20/633885820.db2.gz QXKCOVHJBSBIPL-CMPLNLGQSA-N 1 0 224.304 1.624 10 0 BDAERO COCc1ccc(C[NH2+]C2CC(OC)C2)o1 ZINC000309620940 633975859 /nfs/dbraw/zinc/97/58/59/633975859.db2.gz DHGDTUDXZHMRAE-UHFFFAOYSA-N 1 0 225.288 1.693 10 0 BDAERO C[NH2+]CCc1noc(CSC(F)(F)F)n1 ZINC000309645725 633981736 /nfs/dbraw/zinc/98/17/36/633981736.db2.gz QGXRIFWFCVZDLQ-UHFFFAOYSA-N 1 0 241.238 1.585 10 0 BDAERO CC[C@@H]([NH2+]C1CC(OC)C1)c1nccn1C ZINC000310026237 634087833 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635254596 /nfs/dbraw/zinc/25/45/96/635254596.db2.gz PAYGFCZOFZHEEL-WRWGMCAJSA-N 1 0 215.337 1.551 10 0 BDAERO Cc1cccc2c1CCN(C(=O)[C@@H]1CC[NH2+]C1)C2 ZINC000178533887 635348856 /nfs/dbraw/zinc/34/88/56/635348856.db2.gz DBMJSPYHKMQNGY-GFCCVEGCSA-N 1 0 244.338 1.489 10 0 BDAERO C[C@@H](C[NH3+])c1noc(-c2ccncc2)n1 ZINC000054158723 635774702 /nfs/dbraw/zinc/77/47/02/635774702.db2.gz SJBCRPLTYORPFJ-ZETCQYMHSA-N 1 0 204.233 1.194 10 0 BDAERO C[C@@H](C[NH3+])c1nc(Cc2ccncc2)no1 ZINC000054334895 636411045 /nfs/dbraw/zinc/41/10/45/636411045.db2.gz DXCQKARDIMKBKA-QMMMGPOBSA-N 1 0 218.260 1.118 10 0 BDAERO Cn1ncnc1[C@](C)([NH3+])c1ccccc1 ZINC000054498538 636742661 /nfs/dbraw/zinc/74/26/61/636742661.db2.gz BSXYLNIADPHEKA-LLVKDONJSA-N 1 0 202.261 1.037 10 0 BDAERO CCC1CCC([NH3+])(c2ncnn2C)CC1 ZINC000054498543 636743617 /nfs/dbraw/zinc/74/36/17/636743617.db2.gz REZNASVLZBTFMY-UHFFFAOYSA-N 1 0 208.309 1.569 10 0 BDAERO CCn1ncnc1[C@]1([NH3+])CCC[C@@H](C)C1 ZINC000054498768 636744232 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640445684 /nfs/dbraw/zinc/44/56/84/640445684.db2.gz RXUHYVSASLEQPZ-MRVPVSSYSA-N 1 0 242.269 1.752 10 0 BDAERO CCCOc1ccnc(N2CCC([NH3+])CC2)n1 ZINC000164774825 640505028 /nfs/dbraw/zinc/50/50/28/640505028.db2.gz MZFZWJCFXZLHLH-UHFFFAOYSA-N 1 0 236.319 1.193 10 0 BDAERO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000224870176 640645782 /nfs/dbraw/zinc/64/57/82/640645782.db2.gz VYPVXWAVWWNRQO-CMPLNLGQSA-N 1 0 240.347 1.202 10 0 BDAERO COc1cccc2c1[C@H](C[NH3+])CC(=O)N2 ZINC000057938344 640650791 /nfs/dbraw/zinc/65/07/91/640650791.db2.gz MFUZPEKLXUMSNR-ZETCQYMHSA-N 1 0 206.245 1.080 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC(C)(C)SC ZINC000157668473 640710253 /nfs/dbraw/zinc/71/02/53/640710253.db2.gz ONNBVOVTMVTOAC-MRVPVSSYSA-N 1 0 218.366 1.372 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)cnc1Cl ZINC000226354522 640749319 /nfs/dbraw/zinc/74/93/19/640749319.db2.gz VDIGCEUYJDSMHW-MRVPVSSYSA-N 1 0 239.706 1.591 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)C ZINC000226356617 640752909 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641201547 /nfs/dbraw/zinc/20/15/47/641201547.db2.gz BNXGQIYFQWGAQG-PSASIEDQSA-N 1 0 237.303 1.288 10 0 BDAERO CCCCCC[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000174078541 641238426 /nfs/dbraw/zinc/23/84/26/641238426.db2.gz DXYNYLXRPZQGDA-AWEZNQCLSA-N 1 0 242.407 1.955 10 0 BDAERO CO[C@@H](C[NH3+])Cc1nc(CC(C)(C)C)no1 ZINC000232131236 641245199 /nfs/dbraw/zinc/24/51/99/641245199.db2.gz WLZJXFWBKDRHSL-MRVPVSSYSA-N 1 0 227.308 1.174 10 0 BDAERO [NH3+][C@@H](C(=O)N[C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000040462125 641531986 /nfs/dbraw/zinc/53/19/86/641531986.db2.gz AOJADTGCKFALGY-JHJVBQTASA-N 1 0 248.326 1.106 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCCCCCC2)C1 ZINC000040631135 641534372 /nfs/dbraw/zinc/53/43/72/641534372.db2.gz ATFUBDKBXGYUQN-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)CCCCC[NH3+] ZINC000155363380 641566492 /nfs/dbraw/zinc/56/64/92/641566492.db2.gz REISPHVVJFSGGY-MNOVXSKESA-N 1 0 212.337 1.810 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc(F)ccc1C ZINC000095638427 641597515 /nfs/dbraw/zinc/59/75/15/641597515.db2.gz PCIXORDVVQJZGF-JTQLQIEISA-N 1 0 211.236 1.697 10 0 BDAERO Cc1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)n[nH]1 ZINC000096896115 641601793 /nfs/dbraw/zinc/60/17/93/641601793.db2.gz VJDORJCJZDFMQP-VIFPVBQESA-N 1 0 247.302 1.310 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C)O1)C1CC[NH2+]CC1 ZINC000158043265 641627169 /nfs/dbraw/zinc/62/71/69/641627169.db2.gz QYAVVLSQWQDFNP-NHCYSSNCSA-N 1 0 240.347 1.058 10 0 BDAERO CC(C)(C)[C@@H](O)CNC(=O)CCCCCC[NH3+] ZINC000324621421 641882662 /nfs/dbraw/zinc/88/26/62/641882662.db2.gz PUSIFMDJMBUKBT-NSHDSACASA-N 1 0 244.379 1.419 10 0 BDAERO CC(C)(C)[NH2+]CCC(=O)NC[C@H](O)C(C)(C)C ZINC000324635490 641882921 /nfs/dbraw/zinc/88/29/21/641882921.db2.gz VMEBIOXYVPPMCA-JTQLQIEISA-N 1 0 244.379 1.288 10 0 BDAERO Cc1cn(C)nc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000723503757 711513542 /nfs/dbraw/zinc/51/35/42/711513542.db2.gz UWUFLEIZQBBJNY-LBPRGKRZSA-N 1 0 236.363 1.302 10 0 BDAERO [NH3+][C@H]1Cc2ccccc2N(C[C@@H]2CCCO2)C1 ZINC000070196297 642424480 /nfs/dbraw/zinc/42/44/80/642424480.db2.gz AFBBGSMRAKXTFP-STQMWFEESA-N 1 0 232.327 1.555 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)CSC(C)(C)C)C1 ZINC000170860817 642735580 /nfs/dbraw/zinc/73/55/80/642735580.db2.gz XGSWPRBLALPBMJ-JTQLQIEISA-N 1 0 244.404 1.681 10 0 BDAERO CC(C)NC(=O)[C@]1([NH3+])C[C@H]1c1ccccc1 ZINC000238156420 642787113 /nfs/dbraw/zinc/78/71/13/642787113.db2.gz NPNJJXDASPTAMP-AAEUAGOBSA-N 1 0 218.300 1.396 10 0 BDAERO C[NH2+]CCc1noc(CC[C@H]2CCCCO2)n1 ZINC000069403596 642862088 /nfs/dbraw/zinc/86/20/88/642862088.db2.gz YCVHWTHLFBLPIT-SNVBAGLBSA-N 1 0 239.319 1.333 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)/C=C\c1ccccc1 ZINC000252679099 642891170 /nfs/dbraw/zinc/89/11/70/642891170.db2.gz ZVLJETJUWBXYIF-UCFRMXPJSA-N 1 0 244.338 1.943 10 0 BDAERO O=C1C[C@@H]([NH2+][C@@H]2COc3ccccc32)CCCN1 ZINC000070529511 643034515 /nfs/dbraw/zinc/03/45/15/643034515.db2.gz QOVHCFHGCYAGRG-CMPLNLGQSA-N 1 0 246.310 1.378 10 0 BDAERO CC[C@](C)(CO)[NH2+]CCc1ccccc1 ZINC000070710312 643063323 /nfs/dbraw/zinc/06/33/23/643063323.db2.gz VVRKZRUGRMJRLE-CYBMUJFWSA-N 1 0 207.317 1.980 10 0 BDAERO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@H]1CCCO ZINC000252665385 643085675 /nfs/dbraw/zinc/08/56/75/643085675.db2.gz XEGMYHFGKCSVEY-RDQDRAATSA-N 1 0 241.331 1.343 10 0 BDAERO COC(=O)c1cc(C)nc(Nc2cc[nH+]cc2)n1 ZINC000072240807 643229013 /nfs/dbraw/zinc/22/90/13/643229013.db2.gz YCRKCTCEPZTAJS-UHFFFAOYSA-N 1 0 244.254 1.710 10 0 BDAERO C[C@@H]([NH3+])Cc1ncc(Br)cn1 ZINC000082425472 643313714 /nfs/dbraw/zinc/31/37/14/643313714.db2.gz MVALVZSTPWJUDY-RXMQYKEDSA-N 1 0 216.082 1.129 10 0 BDAERO Fc1ccccc1[C@@H]1CCO[C@]2(CC[NH2+]C2)N1 ZINC000757144127 643315283 /nfs/dbraw/zinc/31/52/83/643315283.db2.gz FYQFQAMTXOUUCK-STQMWFEESA-N 1 0 236.290 1.566 10 0 BDAERO CC[C@@H](C)c1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000082561226 643343222 /nfs/dbraw/zinc/34/32/22/643343222.db2.gz ZSEAAOCMRANZFR-SFYZADRCSA-N 1 0 211.265 1.244 10 0 BDAERO CC[C@@H](C)c1noc(CC[NH2+]C2CC2)n1 ZINC000082561132 643343792 /nfs/dbraw/zinc/34/37/92/643343792.db2.gz PZFPWLYFHDILCT-MRVPVSSYSA-N 1 0 209.293 1.878 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+]C[C@@H]1CCCOC1 ZINC000082581129 643345159 /nfs/dbraw/zinc/34/51/59/643345159.db2.gz NRFUBQDFMHKUOA-RYUDHWBXSA-N 1 0 213.321 1.572 10 0 BDAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)n1ccnc1 ZINC000082800119 643382860 /nfs/dbraw/zinc/38/28/60/643382860.db2.gz ARYQAEGUGFLWIS-MWLCHTKSSA-N 1 0 225.292 1.115 10 0 BDAERO CCOC(=O)[C@](C)([NH3+])C[C@@H](C)n1cccn1 ZINC000082800424 643382873 /nfs/dbraw/zinc/38/28/73/643382873.db2.gz AFEOTTLGROLPQS-MWLCHTKSSA-N 1 0 225.292 1.115 10 0 BDAERO CC(C)[C@H]1CN(C[C@@H]2CCCO2)CC[NH2+]1 ZINC000082925333 643388460 /nfs/dbraw/zinc/38/84/60/643388460.db2.gz KSUVVASWDJZEPO-NWDGAFQWSA-N 1 0 212.337 1.095 10 0 BDAERO CC(C)[C@H](O)c1nc(CC[NH3+])cs1 ZINC000083343444 643436031 /nfs/dbraw/zinc/43/60/31/643436031.db2.gz IWYDOVIMJDECQD-QMMMGPOBSA-N 1 0 200.307 1.334 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1C[C@H]1CCSC1 ZINC000307315875 643439532 /nfs/dbraw/zinc/43/95/32/643439532.db2.gz MQMORFOORFTUTK-UTLUCORTSA-N 1 0 218.341 1.111 10 0 BDAERO CO[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000356404728 643449334 /nfs/dbraw/zinc/44/93/34/643449334.db2.gz BBWUKCYQGBVHTF-CHWSQXEVSA-N 1 0 224.348 1.191 10 0 BDAERO CO[C@H]1C[C@@H](C[NH3+])N(Cc2ccccc2)C1 ZINC000307364407 643455988 /nfs/dbraw/zinc/45/59/88/643455988.db2.gz KCFCMCLIRLTYQM-STQMWFEESA-N 1 0 220.316 1.235 10 0 BDAERO Cc1cnc(NCCCCCC[NH3+])nc1 ZINC000235829762 643509116 /nfs/dbraw/zinc/50/91/16/643509116.db2.gz GWMVXCSXJHKZAO-UHFFFAOYSA-N 1 0 208.309 1.716 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ncnc2ccsc21 ZINC000082592522 643514888 /nfs/dbraw/zinc/51/48/88/643514888.db2.gz KGIMLYOHJMRDPF-SSDOTTSWSA-N 1 0 222.317 1.475 10 0 BDAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)n1ccnc1C ZINC000082802669 643524841 /nfs/dbraw/zinc/52/48/41/643524841.db2.gz KCEQRNYKPKXIKU-KWQFWETISA-N 1 0 225.292 1.033 10 0 BDAERO CC(C)c1nsc(N(C)C[C@H](C)[NH3+])n1 ZINC000083675776 643542486 /nfs/dbraw/zinc/54/24/86/643542486.db2.gz UCIAYUOIQSWBOK-ZETCQYMHSA-N 1 0 214.338 1.445 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1nc(C2CC2)ns1 ZINC000083675771 643542664 /nfs/dbraw/zinc/54/26/64/643542664.db2.gz NSZTYMNZMOFNQJ-ZCFIWIBFSA-N 1 0 212.322 1.199 10 0 BDAERO CCC[C@H](N)c1nc([C@H]2CCCOC2)no1 ZINC000083720205 643622983 /nfs/dbraw/zinc/62/29/83/643622983.db2.gz GCPCRWBSKCRGHG-IUCAKERBSA-N 1 0 225.292 1.764 10 0 BDAERO Cc1cncc(-c2nc([C@@H](C)C[NH3+])no2)c1 ZINC000083892723 643629110 /nfs/dbraw/zinc/62/91/10/643629110.db2.gz GJOBBLYASQERGH-QMMMGPOBSA-N 1 0 218.260 1.502 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)Nc1nncs1 ZINC000084301530 643658190 /nfs/dbraw/zinc/65/81/90/643658190.db2.gz MJEUSUSYRQUNPT-YUMQZZPRSA-N 1 0 240.332 1.242 10 0 BDAERO Cc1cc(C)nc(NCC2CC([NH3+])C2)n1 ZINC000084447979 643663606 /nfs/dbraw/zinc/66/36/06/643663606.db2.gz MHKSQAWWIBQXKH-UHFFFAOYSA-N 1 0 206.293 1.243 10 0 BDAERO C1=CO[C@H](C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC000050269440 643673034 /nfs/dbraw/zinc/67/30/34/643673034.db2.gz VNEPHLBMDRCLLU-RYUDHWBXSA-N 1 0 211.305 1.838 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCCCCC2)C1 ZINC000085009614 643679041 /nfs/dbraw/zinc/67/90/41/643679041.db2.gz VHSDCTKITORGHB-VXGBXAGGSA-N 1 0 224.348 1.907 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CO)c(C)c1 ZINC000085246522 643697957 /nfs/dbraw/zinc/69/79/57/643697957.db2.gz WBRSWOMQNXRICT-NEPJUHHUSA-N 1 0 223.316 1.307 10 0 BDAERO C[C@H]1CCCN(C(=O)NCC2CC([NH3+])C2)C1 ZINC000085971287 643869412 /nfs/dbraw/zinc/86/94/12/643869412.db2.gz LXFHRICYTKDFRR-WHXUTIOJSA-N 1 0 225.336 1.165 10 0 BDAERO CC[C@H](O)CC[NH2+]CCc1ccccc1 ZINC000079272119 644167450 /nfs/dbraw/zinc/16/74/50/644167450.db2.gz FONDLUJPMICILG-ZDUSSCGKSA-N 1 0 207.317 1.980 10 0 BDAERO CCCN(C)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301722 644423387 /nfs/dbraw/zinc/42/33/87/644423387.db2.gz NGOTYFALJQHFTC-MNOVXSKESA-N 1 0 212.337 1.620 10 0 BDAERO CC[C@H](CO)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000085573843 644443260 /nfs/dbraw/zinc/44/32/60/644443260.db2.gz ZVFGSRHLMQSLPH-NWDGAFQWSA-N 1 0 205.301 1.687 10 0 BDAERO O[C@@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085985494 644454613 /nfs/dbraw/zinc/45/46/13/644454613.db2.gz JEYYUVZSRQVUOE-KKUMJFAQSA-N 1 0 249.354 1.861 10 0 BDAERO CCC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000685946244 644518058 /nfs/dbraw/zinc/51/80/58/644518058.db2.gz GSSFFGCRBCANCO-JTQLQIEISA-N 1 0 210.321 1.516 10 0 BDAERO c1cc2c(s1)CCO[C@@H]2C[NH2+][C@@H]1CCOC1 ZINC000088736703 644527370 /nfs/dbraw/zinc/52/73/70/644527370.db2.gz UVNAOAXGSQQEFS-MWLCHTKSSA-N 1 0 239.340 1.740 10 0 BDAERO c1cc2c(s1)CCO[C@@H]2C[NH2+][C@H]1CCOC1 ZINC000088736708 644528659 /nfs/dbraw/zinc/52/86/59/644528659.db2.gz UVNAOAXGSQQEFS-GXSJLCMTSA-N 1 0 239.340 1.740 10 0 BDAERO CC(C)[N@H+](CCn1cncn1)C[C@H]1C[C@H]1C ZINC000089922128 644571794 /nfs/dbraw/zinc/57/17/94/644571794.db2.gz TVRXGDUWXGRNAD-VXGBXAGGSA-N 1 0 222.336 1.645 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cc(F)ccc2F)C1 ZINC000091538852 644629466 /nfs/dbraw/zinc/62/94/66/644629466.db2.gz SDFYJXVHCGFXEH-UHFFFAOYSA-N 1 0 240.253 1.432 10 0 BDAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(C)nc2)C1 ZINC000092052727 644645441 /nfs/dbraw/zinc/64/54/41/644645441.db2.gz KCUIMRIIYXCSBJ-CQSZACIVSA-N 1 0 249.358 1.200 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094937366 644735320 /nfs/dbraw/zinc/73/53/20/644735320.db2.gz YCWDMYWBAKDLSH-BDAKNGLRSA-N 1 0 247.302 1.692 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC000094996543 644735578 /nfs/dbraw/zinc/73/55/78/644735578.db2.gz AOMQNWNSFMKJKN-KOLCDFICSA-N 1 0 211.305 1.527 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1C ZINC000095019959 644738919 /nfs/dbraw/zinc/73/89/19/644738919.db2.gz VSRFMBMNJCQZGX-JOYOIKCWSA-N 1 0 237.299 1.829 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1c(C)cccc1C ZINC000095638318 644760526 /nfs/dbraw/zinc/76/05/26/644760526.db2.gz DMPGBTICXJTKLZ-JTQLQIEISA-N 1 0 207.273 1.866 10 0 BDAERO C[C@@H](O)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000250902633 644784653 /nfs/dbraw/zinc/78/46/53/644784653.db2.gz OSMBMEREFTWCLZ-YPMHNXCESA-N 1 0 247.342 1.419 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000251084586 644792374 /nfs/dbraw/zinc/79/23/74/644792374.db2.gz IUEZSGUTPSTKSO-LURQLKTLSA-N 1 0 207.277 1.645 10 0 BDAERO c1csc(C[NH2+]C[C@H]2Cn3ccnc3CO2)c1 ZINC000096296267 644804017 /nfs/dbraw/zinc/80/40/17/644804017.db2.gz BHALXSCEZMCEMK-JTQLQIEISA-N 1 0 249.339 1.633 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1C ZINC000251632506 644815474 /nfs/dbraw/zinc/81/54/74/644815474.db2.gz FMCBOKFDUOEBKS-QJPTWQEYSA-N 1 0 241.331 1.296 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+][C@H](c2cc(N)ccc2C)C1 ZINC000757242327 644865837 /nfs/dbraw/zinc/86/58/37/644865837.db2.gz YATZVNPISDPNMP-MFKMUULPSA-N 1 0 248.326 1.791 10 0 BDAERO [NH3+][C@H]1CC[C@H](c2nc(-c3ncccn3)no2)C1 ZINC000097067886 644868593 /nfs/dbraw/zinc/86/85/93/644868593.db2.gz OCWGQLGZODPELL-YUMQZZPRSA-N 1 0 231.259 1.121 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2COc3ccccc32)N1 ZINC000304511612 644911367 /nfs/dbraw/zinc/91/13/67/644911367.db2.gz GBDIFZQCPAXCLZ-PSASIEDQSA-N 1 0 217.272 1.057 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253174545 644941505 /nfs/dbraw/zinc/94/15/05/644941505.db2.gz NCJJARSAUWGBHF-MNOVXSKESA-N 1 0 226.320 1.748 10 0 BDAERO C[C@@H]1CN(c2cccc(F)n2)[C@H](C)C[NH2+]1 ZINC000003716213 645890278 /nfs/dbraw/zinc/89/02/78/645890278.db2.gz SZGAQBGMEKHJEU-RKDXNWHRSA-N 1 0 209.268 1.407 10 0 BDAERO CCCc1noc([C@H]2CC[NH2+][C@H]2CC)n1 ZINC000309644325 711659600 /nfs/dbraw/zinc/65/96/00/711659600.db2.gz PPSHSQKFHVUSJZ-IUCAKERBSA-N 1 0 209.293 1.878 10 0 BDAERO CSC1(C[NH2+][C@H](CO)CC(C)C)CC1 ZINC000379516311 711802912 /nfs/dbraw/zinc/80/29/12/711802912.db2.gz YLXRFNOPASWUST-JTQLQIEISA-N 1 0 217.378 1.879 10 0 BDAERO CC(C)(CNC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)(F)F ZINC000700273601 711989413 /nfs/dbraw/zinc/98/94/13/711989413.db2.gz MVPDBIHPNQYHNL-IUCAKERBSA-N 1 0 248.317 1.911 10 0 BDAERO C[C@H]1CN(C(=O)c2cccnc2Cl)C[C@@H]1[NH3+] ZINC000700609326 712001271 /nfs/dbraw/zinc/00/12/71/712001271.db2.gz XRJFWQXUBXLCHF-CBAPKCEASA-N 1 0 239.706 1.154 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc(Cl)nc2)C[C@H]1[NH3+] ZINC000700612644 712001691 /nfs/dbraw/zinc/00/16/91/712001691.db2.gz SPWMCCOXWGQXLO-IONNQARKSA-N 1 0 239.706 1.154 10 0 BDAERO CCCCSCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000701012730 712011834 /nfs/dbraw/zinc/01/18/34/712011834.db2.gz MZVLXTNNOQLMMH-QWRGUYRKSA-N 1 0 244.404 1.763 10 0 BDAERO Clc1cncc(NCC23CC(C2)C[NH2+]3)n1 ZINC000706542879 712149258 /nfs/dbraw/zinc/14/92/58/712149258.db2.gz UBYJCHKRUKNDGI-UHFFFAOYSA-N 1 0 224.695 1.294 10 0 BDAERO C[C@H]1CN(Cc2ccc(Cl)cn2)C[C@H]1[NH3+] ZINC000707452200 712171000 /nfs/dbraw/zinc/17/10/00/712171000.db2.gz FYIJWIBUBJLQPP-GZMMTYOYSA-N 1 0 225.723 1.514 10 0 BDAERO CCC[C@@H](CNC(=O)C1CC([NH3+])C1)OCC ZINC000707800193 712178428 /nfs/dbraw/zinc/17/84/28/712178428.db2.gz IZVOGYWGFGNXCE-ILDUYXDCSA-N 1 0 228.336 1.045 10 0 BDAERO C[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1C[NH3+] ZINC000708888319 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/nfs/dbraw/zinc/36/53/43/712365343.db2.gz UVUDSGUIIMVCNI-UHFFFAOYSA-N 1 0 221.304 1.769 10 0 BDAERO CCN1CC[C@H]1C[NH2+]CCc1ccccc1 ZINC000712549081 712444122 /nfs/dbraw/zinc/44/41/22/712444122.db2.gz QWDYVZGKLATWCJ-AWEZNQCLSA-N 1 0 218.344 1.913 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000713605272 712466713 /nfs/dbraw/zinc/46/67/13/712466713.db2.gz GBIPQTRRNFQTIE-JTQLQIEISA-N 1 0 215.337 1.552 10 0 BDAERO CC[C@@H]1CCCCN1C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713913472 712472748 /nfs/dbraw/zinc/47/27/48/712472748.db2.gz PLFPHKJDBOVHIH-IJLUTSLNSA-N 1 0 240.347 1.141 10 0 BDAERO COCC1CC(NC(=O)CCCCC[NH3+])C1 ZINC000713944609 712474167 /nfs/dbraw/zinc/47/41/67/712474167.db2.gz ZTLVCGRXTYCLNO-UHFFFAOYSA-N 1 0 228.336 1.047 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc([C@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714078009 712477874 /nfs/dbraw/zinc/47/78/74/712477874.db2.gz UGJIAPUMDXMABZ-BGZDPUMWSA-N 1 0 223.276 1.024 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCSCC1)c1cn(C)nn1 ZINC000715939418 712544057 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ZINC000037888281 712780966 /nfs/dbraw/zinc/78/09/66/712780966.db2.gz OGPOPTAQAIVPBY-JTQLQIEISA-N 1 0 245.269 1.359 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720862918 712871122 /nfs/dbraw/zinc/87/11/22/712871122.db2.gz WMRNARSIOCXCMR-MROQNXINSA-N 1 0 241.375 1.941 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720964281 712883901 /nfs/dbraw/zinc/88/39/01/712883901.db2.gz RGDCVABIJYQHHO-ZRUFSTJUSA-N 1 0 210.321 1.003 10 0 BDAERO CCCCOCc1nc([C@H](C)C[NH3+])no1 ZINC000381222262 710610948 /nfs/dbraw/zinc/61/09/48/710610948.db2.gz JAHIMBWURIWGRU-MRVPVSSYSA-N 1 0 213.281 1.449 10 0 BDAERO CCc1nc(C)cc(N2C3CCC2(C[NH3+])CC3)n1 ZINC000722987543 710723908 /nfs/dbraw/zinc/72/39/08/710723908.db2.gz VYUXGEUUXWUQPE-UHFFFAOYSA-N 1 0 246.358 1.808 10 0 BDAERO COC1CC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723651714 710730042 /nfs/dbraw/zinc/73/00/42/710730042.db2.gz OHQPYJJAEHXEJB-PGDPNYEUSA-N 1 0 239.359 1.959 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccncc1Cl ZINC000723810109 710731499 /nfs/dbraw/zinc/73/14/99/710731499.db2.gz JONXIDPXJSBZFP-BDAKNGLRSA-N 1 0 225.723 1.424 10 0 BDAERO Cc1cnc(C[NH2+][C@@H]2CO[C@@H](C)C2)c(C)c1 ZINC000724021944 710736197 /nfs/dbraw/zinc/73/61/97/710736197.db2.gz HNGKGAXBRGHPPY-RYUDHWBXSA-N 1 0 220.316 1.965 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2cnn(C)n2)C[C@H](C)O1 ZINC000724287851 710738115 /nfs/dbraw/zinc/73/81/15/710738115.db2.gz NMZAVGNOJNPUDN-UWVGGRQHSA-N 1 0 238.335 1.108 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2cn(C)cn2)C[C@@H](C)O1 ZINC000724286782 710738282 /nfs/dbraw/zinc/73/82/82/710738282.db2.gz GUZIRABIZNNQFK-GHMZBOCLSA-N 1 0 237.347 1.713 10 0 BDAERO C[C@H]1CC(CNC2=[NH+]CCCCN2)C[C@H](C)O1 ZINC000724460600 710741198 /nfs/dbraw/zinc/74/11/98/710741198.db2.gz NBKGCJAITSFKEZ-QWRGUYRKSA-N 1 0 239.363 1.519 10 0 BDAERO CN1C[C@H](CC[NH2+]CCc2ccccc2)CC1=O ZINC000723551414 711516187 /nfs/dbraw/zinc/51/61/87/711516187.db2.gz HEIKGOOJNAXEQD-CQSZACIVSA-N 1 0 246.354 1.687 10 0 BDAERO CN1C[C@@H](C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1=O ZINC000723589814 711521663 /nfs/dbraw/zinc/52/16/63/711521663.db2.gz NJGDTQSMKQLAGX-XQHKEYJVSA-N 1 0 236.359 1.633 10 0 BDAERO CN1C[C@H](C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1=O ZINC000723589812 711521674 /nfs/dbraw/zinc/52/16/74/711521674.db2.gz NJGDTQSMKQLAGX-QNWHQSFQSA-N 1 0 236.359 1.633 10 0 BDAERO C[C@@H]1CN(c2ccccn2)C[C@H]1CC[NH3+] ZINC000723882527 711543325 /nfs/dbraw/zinc/54/33/25/711543325.db2.gz JEIBFPYBOSDWAB-GHMZBOCLSA-N 1 0 205.305 1.503 10 0 BDAERO C[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@H]1CC[NH3+] ZINC000723901396 711545005 /nfs/dbraw/zinc/54/50/05/711545005.db2.gz HCUIRNSDVFLXQM-NXEZZACHSA-N 1 0 245.330 1.379 10 0 BDAERO CC1(C)C[C@@H]1c1noc(C[C@H](N)C(F)F)n1 ZINC000725074933 711649765 /nfs/dbraw/zinc/64/97/65/711649765.db2.gz WZZZANCQIIOLAB-RITPCOANSA-N 1 0 231.246 1.718 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725111323 711652608 /nfs/dbraw/zinc/65/26/08/711652608.db2.gz JQWDXHJIDWAZMR-STQMWFEESA-N 1 0 229.364 1.678 10 0 BDAERO CS/C=C/C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309381994 711678010 /nfs/dbraw/zinc/67/80/10/711678010.db2.gz DLQMNPJANFTCRV-CBEQDWNCSA-N 1 0 226.345 1.059 10 0 BDAERO CNC(=S)N[C@H](CC(C)C)C[NH+](C)C ZINC000136099667 711684815 /nfs/dbraw/zinc/68/48/15/711684815.db2.gz MZTGDQQSXBUDQL-SECBINFHSA-N 1 0 217.382 1.057 10 0 BDAERO Cc1ccc(C)c(NC(=O)C2CC([NH3+])C2)c1 ZINC000258697538 711740442 /nfs/dbraw/zinc/74/04/42/711740442.db2.gz JRNPVYUHNUNQLU-UHFFFAOYSA-N 1 0 218.300 1.979 10 0 BDAERO c1ncc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cn1 ZINC000225430267 711756543 /nfs/dbraw/zinc/75/65/43/711756543.db2.gz YNYCFPGJELOWKU-SECBINFHSA-N 1 0 245.286 1.069 10 0 BDAERO CO[C@@H](c1nc([C@@H](C)C[NH3+])no1)c1ccccc1 ZINC000054158505 711766127 /nfs/dbraw/zinc/76/61/27/711766127.db2.gz PWGPYRRPDKFJNR-GXSJLCMTSA-N 1 0 247.298 1.868 10 0 BDAERO CC1(C)C[NH2+]C[C@@H]1Nc1ncnc2c1CCC2 ZINC000721863099 711791964 /nfs/dbraw/zinc/79/19/64/711791964.db2.gz HVOBXRPYYTVKCX-NSHDSACASA-N 1 0 232.331 1.375 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccncc1Cl ZINC000721873040 711793651 /nfs/dbraw/zinc/79/36/51/711793651.db2.gz ODNYSYLHQGSJGK-GMSGAONNSA-N 1 0 211.696 1.177 10 0 BDAERO C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)[C@H](C)O ZINC000349336700 711825500 /nfs/dbraw/zinc/82/55/00/711825500.db2.gz XKNROZUDQHBSNU-ZJUUUORDSA-N 1 0 246.314 1.331 10 0 BDAERO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](O)[C@@H]2C)C1 ZINC000722022728 711899343 /nfs/dbraw/zinc/89/93/43/711899343.db2.gz HCFXUIAVKHBVTL-YFKTTZPYSA-N 1 0 213.321 1.257 10 0 BDAERO Cc1cc(C)nc(N[C@H]2C[NH2+]CC2(C)C)n1 ZINC000721937460 711941169 /nfs/dbraw/zinc/94/11/69/711941169.db2.gz GIVNMFHVCPFKGL-JTQLQIEISA-N 1 0 220.320 1.503 10 0 BDAERO CC[C@@H]([NH2+]Cc1nc(C)cc(=O)[nH]1)C1CC1 ZINC000700472005 711993597 /nfs/dbraw/zinc/99/35/97/711993597.db2.gz BYKCIWKQCKOXNM-SNVBAGLBSA-N 1 0 221.304 1.769 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(CO)cc1 ZINC000700769593 712005979 /nfs/dbraw/zinc/00/59/79/712005979.db2.gz UAXAKUBFVBPUDT-CHWSQXEVSA-N 1 0 248.326 1.036 10 0 BDAERO C[C@H]1CN(C(=O)c2cccc(Cl)n2)C[C@@H]1[NH3+] ZINC000701102388 712014851 /nfs/dbraw/zinc/01/48/51/712014851.db2.gz VTWBSLXZQXIHIA-YUMQZZPRSA-N 1 0 239.706 1.154 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(F)n1 ZINC000701111696 712015433 /nfs/dbraw/zinc/01/54/33/712015433.db2.gz YAVYEABDORQBIH-RKDXNWHRSA-N 1 0 237.278 1.091 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(F)n1 ZINC000701110642 712015610 /nfs/dbraw/zinc/01/56/10/712015610.db2.gz RTZZKXGQHCTIGX-RKDXNWHRSA-N 1 0 237.278 1.078 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)n1 ZINC000701110633 712015687 /nfs/dbraw/zinc/01/56/87/712015687.db2.gz RTZZKXGQHCTIGX-DTWKUNHWSA-N 1 0 237.278 1.078 10 0 BDAERO CO[C@@H](c1nc([C@H](C)C[NH3+])no1)C1CCC1 ZINC000701373670 712021340 /nfs/dbraw/zinc/02/13/40/712021340.db2.gz UOOSMTSFHFOYOS-VXNVDRBHSA-N 1 0 225.292 1.619 10 0 BDAERO CC[C@H](C)c1noc([C@]2(C)C[C@H](OC)C[NH2+]2)n1 ZINC000702720344 712059747 /nfs/dbraw/zinc/05/97/47/712059747.db2.gz SPGUNZPAAWBBMO-AUTRQRHGSA-N 1 0 239.319 1.807 10 0 BDAERO C(c1noc([C@@H]2CC23CC3)n1)[C@@H]1CCC[NH2+]C1 ZINC000705164360 712124955 /nfs/dbraw/zinc/12/49/55/712124955.db2.gz BJYXIOLKSBJVNB-UWVGGRQHSA-N 1 0 233.315 1.879 10 0 BDAERO C[C@H](C[NH3+])c1noc(C[C@@H](C)C(F)(F)F)n1 ZINC000705469843 712131929 /nfs/dbraw/zinc/13/19/29/712131929.db2.gz JXURWSUHAPJXNJ-PHDIDXHHSA-N 1 0 237.225 1.873 10 0 BDAERO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706734185 712153207 /nfs/dbraw/zinc/15/32/07/712153207.db2.gz PHOODMRCHJYGKB-MXWKQRLJSA-N 1 0 215.337 1.551 10 0 BDAERO CC(C)CCCC[NH2+][C@@H]1CCOC[C@@H]1O ZINC000706789822 712155342 /nfs/dbraw/zinc/15/53/42/712155342.db2.gz PIXFJKRCRSGYQA-NEPJUHHUSA-N 1 0 215.337 1.552 10 0 BDAERO C[C@]12CCCC[C@H]1CN2C(=O)C1CC([NH3+])C1 ZINC000707127934 712165629 /nfs/dbraw/zinc/16/56/29/712165629.db2.gz NYIOXFREZNDZLT-JJGGINFWSA-N 1 0 222.332 1.515 10 0 BDAERO CC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1 ZINC000707804116 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C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cn(C)cn1 ZINC000710011154 712240195 /nfs/dbraw/zinc/24/01/95/712240195.db2.gz DUIYOEVFUIYUEZ-HBNTYKKESA-N 1 0 223.320 1.374 10 0 BDAERO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2cn(C)cn2)C1 ZINC000710030718 712242201 /nfs/dbraw/zinc/24/22/01/712242201.db2.gz BJYHOECRIGQUJD-NWDGAFQWSA-N 1 0 236.363 1.555 10 0 BDAERO COC[C@@H](C)[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710474745 712253830 /nfs/dbraw/zinc/25/38/30/712253830.db2.gz CIWPTPHXIUXTLR-DOLQZWNJSA-N 1 0 219.275 1.902 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H](C)O1 ZINC000710885993 712261536 /nfs/dbraw/zinc/26/15/36/712261536.db2.gz WGIXVTMUOVTXBK-DDHJBXDOSA-N 1 0 240.347 1.140 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCO1 ZINC000710897719 712261943 /nfs/dbraw/zinc/26/19/43/712261943.db2.gz SJAQNKYNFHDZOV-DDHJBXDOSA-N 1 0 240.347 1.188 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710997938 712273994 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/nfs/dbraw/zinc/47/73/55/712477355.db2.gz RCTGYKWJZLUDLT-UHFFFAOYSA-N 1 0 220.316 1.905 10 0 BDAERO COCC1CC([NH2+]C[C@H](OC)C2CC2)C1 ZINC000714010878 712477513 /nfs/dbraw/zinc/47/75/13/712477513.db2.gz YZJLXHBUAXPMLK-NHNAUAITSA-N 1 0 213.321 1.426 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc([C@@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714078119 712478046 /nfs/dbraw/zinc/47/80/46/712478046.db2.gz UGJIAPUMDXMABZ-XGEHTFHBSA-N 1 0 223.276 1.024 10 0 BDAERO CO[C@H]1C[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000714613763 712488220 /nfs/dbraw/zinc/48/82/20/712488220.db2.gz MFFYQKDWOROJGT-SYLRKERUSA-N 1 0 239.359 1.815 10 0 BDAERO CCC1([NH3+])CCN(c2ncc(C)c(C)n2)CC1 ZINC000714751762 712497141 /nfs/dbraw/zinc/49/71/41/712497141.db2.gz HHNOGMQPXFPVPP-UHFFFAOYSA-N 1 0 234.347 1.801 10 0 BDAERO CCC1([NH3+])CCN(c2nccnc2C)CC1 ZINC000714752174 712497393 /nfs/dbraw/zinc/49/73/93/712497393.db2.gz QMGCRKOWPZRIJH-UHFFFAOYSA-N 1 0 220.320 1.493 10 0 BDAERO C(CN1CCO[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1C[C@H]1C1CC1 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CN(CC1CC1)C(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715500194 712524010 /nfs/dbraw/zinc/52/40/10/712524010.db2.gz XFBQNIRCBRCLOQ-TZMCWYRMSA-N 1 0 236.359 1.635 10 0 BDAERO CC(C)(CO)[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000715508091 712524603 /nfs/dbraw/zinc/52/46/03/712524603.db2.gz JDCLUZGOLOESGF-GHMZBOCLSA-N 1 0 213.321 1.305 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000716449224 712561591 /nfs/dbraw/zinc/56/15/91/712561591.db2.gz XOTVUOAAXBHEMI-BSKUUZOQSA-N 1 0 236.359 1.522 10 0 BDAERO Cc1[nH]nc(-c2nc([C@H](C)C[NH3+])no2)c1C ZINC000716693468 712570290 /nfs/dbraw/zinc/57/02/90/712570290.db2.gz OANSXWXLCYOGEE-RXMQYKEDSA-N 1 0 221.264 1.139 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000716729838 712571048 /nfs/dbraw/zinc/57/10/48/712571048.db2.gz BZGYQARSOUFMLK-CPVIWBHCSA-N 1 0 208.305 1.029 10 0 BDAERO Cc1cc(C)c(C[NH2+]C2CC(C(N)=O)C2)cc1C ZINC000716723853 712571295 /nfs/dbraw/zinc/57/12/95/712571295.db2.gz RJVLVHCDSCTKTP-UHFFFAOYSA-N 1 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BDAERO Cc1coc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000718504494 712767704 /nfs/dbraw/zinc/76/77/04/712767704.db2.gz UGISNYARPVVVNX-NSHDSACASA-N 1 0 236.315 1.802 10 0 BDAERO CC(C)OC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000718874003 712786830 /nfs/dbraw/zinc/78/68/30/712786830.db2.gz URULEITUAHDAKN-MNOVXSKESA-N 1 0 226.320 1.700 10 0 BDAERO CN(c1ccnc2ncccc21)[C@@H]1CC[NH2+]C1 ZINC000718931220 712788606 /nfs/dbraw/zinc/78/86/06/712788606.db2.gz XWTCQYLWEAZSKM-SNVBAGLBSA-N 1 0 228.299 1.428 10 0 BDAERO COCC(C)(C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000718949285 712789960 /nfs/dbraw/zinc/78/99/60/712789960.db2.gz VCMQPPFIGHJVNJ-NSHDSACASA-N 1 0 244.379 1.539 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CCC=CCCC1 ZINC000718968262 712790621 /nfs/dbraw/zinc/79/06/21/712790621.db2.gz FMHGABUIJACFCX-NEPJUHHUSA-N 1 0 224.348 1.976 10 0 BDAERO [NH3+]CC1CCN(c2ccnc3ncccc23)CC1 ZINC000718981960 712790810 /nfs/dbraw/zinc/79/08/10/712790810.db2.gz OWAORLVNIWHGHE-UHFFFAOYSA-N 1 0 242.326 1.805 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2ccnc3ncccc32)C1 ZINC000718981850 712790898 /nfs/dbraw/zinc/79/08/98/712790898.db2.gz NGXKSIWOKAXEFA-LLVKDONJSA-N 1 0 242.326 1.818 10 0 BDAERO C[C@@H]1CN(c2ccnc3ncccc23)CC[C@@H]1[NH3+] ZINC000718981729 712791240 /nfs/dbraw/zinc/79/12/40/712791240.db2.gz LGXRANWVHXVGGW-PWSUYJOCSA-N 1 0 242.326 1.803 10 0 BDAERO CN(CCC[NH3+])c1ccnc2ncccc12 ZINC000718984255 712791515 /nfs/dbraw/zinc/79/15/15/712791515.db2.gz DLVWCFBREJMPFF-UHFFFAOYSA-N 1 0 216.288 1.415 10 0 BDAERO CC[C@@H]([NH3+])CNc1ccnc2ncccc12 ZINC000718984175 712791530 /nfs/dbraw/zinc/79/15/30/712791530.db2.gz DDIQEJKLHFGXJF-SECBINFHSA-N 1 0 216.288 1.779 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccnc3ncccc23)C1 ZINC000718982347 712791581 /nfs/dbraw/zinc/79/15/81/712791581.db2.gz PZNSAWZODDGHOI-GHMZBOCLSA-N 1 0 242.326 1.803 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ccnc3ncccc23)C1 ZINC000718984066 712791596 /nfs/dbraw/zinc/79/15/96/712791596.db2.gz AZAMAXXTEMPKOV-AOOOYVTPSA-N 1 0 228.299 1.779 10 0 BDAERO COCC[NH2+]CCNc1ccnc2ncccc12 ZINC000718986460 712791638 /nfs/dbraw/zinc/79/16/38/712791638.db2.gz NKKLRGXTNBDRTH-UHFFFAOYSA-N 1 0 246.314 1.278 10 0 BDAERO CN(c1ccnc2ncccc21)C1C[NH2+]C1 ZINC000718986127 712791722 /nfs/dbraw/zinc/79/17/22/712791722.db2.gz LNDYRPMFWSAIRJ-UHFFFAOYSA-N 1 0 214.272 1.038 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ccnc2ncccc12 ZINC000718987488 712792291 /nfs/dbraw/zinc/79/22/91/712792291.db2.gz SUPRAJNQDVXFAV-VIFPVBQESA-N 1 0 216.288 1.413 10 0 BDAERO C[C@@H](CC[NH3+])Nc1ccnc2ncccc12 ZINC000718987638 712792317 /nfs/dbraw/zinc/79/23/17/712792317.db2.gz VAEMUIYFIRRAEO-VIFPVBQESA-N 1 0 216.288 1.779 10 0 BDAERO c1cnc2nccc(NC3CC[NH2+]CC3)c2c1 ZINC000718987642 712792386 /nfs/dbraw/zinc/79/23/86/712792386.db2.gz VEUWWCAILPGIIQ-UHFFFAOYSA-N 1 0 228.299 1.794 10 0 BDAERO O=c1cc(C[NH2+]C[C@]23CCC[C@H]2OCC3)cc[nH]1 ZINC000720295181 712830219 /nfs/dbraw/zinc/83/02/19/712830219.db2.gz MXCVDNRCTSJAEF-TZMCWYRMSA-N 1 0 248.326 1.836 10 0 BDAERO CC[C@H]([NH2+][C@H](C)c1cn(C)nn1)[C@H]1C[C@H]1C ZINC000720603704 712858105 /nfs/dbraw/zinc/85/81/05/712858105.db2.gz UYQPPYRWAXQQST-ZNSHCXBVSA-N 1 0 222.336 1.900 10 0 BDAERO Cc1cc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)c(C)nn1 ZINC000720609088 712858695 /nfs/dbraw/zinc/85/86/95/712858695.db2.gz YKTKDVSNZJBPNU-GWCFXTLKSA-N 1 0 235.331 1.439 10 0 BDAERO CC1(C)CN(c2cncc(Cl)n2)C[C@@H]1[NH3+] ZINC000720746707 712863246 /nfs/dbraw/zinc/86/32/46/712863246.db2.gz HAUMVUGKJWRORV-ZETCQYMHSA-N 1 0 226.711 1.304 10 0 BDAERO C[C@@H]1Cc2cc(C[NH2+]C3CC(CO)C3)ccc2O1 ZINC000720735405 712863350 /nfs/dbraw/zinc/86/33/50/712863350.db2.gz KXPCNNHWDFVEDM-PWQPVHBWSA-N 1 0 247.338 1.871 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720788236 712865622 /nfs/dbraw/zinc/86/56/22/712865622.db2.gz IUZIJSBIPIDZJG-MROQNXINSA-N 1 0 224.348 1.367 10 0 BDAERO C[NH2+]CCN(c1ccc2nccnc2n1)C(C)C ZINC000720800018 712866527 /nfs/dbraw/zinc/86/65/27/712866527.db2.gz PPZXTDUQYOHFKD-UHFFFAOYSA-N 1 0 245.330 1.459 10 0 BDAERO CS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000380314663 712873642 /nfs/dbraw/zinc/87/36/42/712873642.db2.gz ILOJZTAFMRJMSO-ZJUUUORDSA-N 1 0 237.340 1.149 10 0 BDAERO CO[C@@H](c1noc(CC(C)(C)C[NH3+])n1)C1CC1 ZINC000720874375 712872763 /nfs/dbraw/zinc/87/27/63/712872763.db2.gz PCIQSZLYYWDJLZ-SNVBAGLBSA-N 1 0 239.319 1.695 10 0 BDAERO Cc1cc(N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)ncn1 ZINC000720892993 712874548 /nfs/dbraw/zinc/87/45/48/712874548.db2.gz NHKBJETZKWXKHD-HTQZYQBOSA-N 1 0 246.236 1.111 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720890648 712875248 /nfs/dbraw/zinc/87/52/48/712875248.db2.gz CEUYLUVJXKCEPZ-OUAUKWLOSA-N 1 0 213.321 1.305 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720964273 712883874 /nfs/dbraw/zinc/88/38/74/712883874.db2.gz RGDCVABIJYQHHO-CHWFTXMASA-N 1 0 210.321 1.003 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1cnccn1 ZINC000721062022 712889558 /nfs/dbraw/zinc/88/95/58/712889558.db2.gz LTNPQPYTWDCJMN-NXEZZACHSA-N 1 0 206.293 1.134 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc(F)cn1 ZINC000721070028 712890165 /nfs/dbraw/zinc/89/01/65/712890165.db2.gz CHSCZQKTJYMZGJ-NXEZZACHSA-N 1 0 223.295 1.878 10 0 BDAERO CCO[C@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000721146541 712892667 /nfs/dbraw/zinc/89/26/67/712892667.db2.gz GOQTXZBDDYJZQP-RSJDFQLWSA-N 1 0 240.347 1.188 10 0 BDAERO CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000688494456 976181049 /nfs/dbraw/zinc/18/10/49/976181049.db2.gz VBNLJPPZTCFDPA-RYUDHWBXSA-N 1 0 242.363 1.369 10 0 BDAERO CC1(C)CC[C@@H](C[NH3+])[C@H](S(C)(=O)=O)C1 ZINC000685955265 538900612 /nfs/dbraw/zinc/90/06/12/538900612.db2.gz WZDWFAONTRTPIB-DTWKUNHWSA-N 1 0 219.350 1.185 10 0 BDAERO CCC[N@@H+]1CC[C@H](N)C12CCC(=O)CC2 ZINC000685955237 538900805 /nfs/dbraw/zinc/90/08/05/538900805.db2.gz WKIAFXKMFLOFCF-NSHDSACASA-N 1 0 210.321 1.311 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC ZINC000685955149 538900938 /nfs/dbraw/zinc/90/09/38/538900938.db2.gz URJPJMXRGKCZBL-SDDRHHMPSA-N 1 0 247.404 1.978 10 0 BDAERO CCOC(=O)C(F)(F)CSC[C@H](C)[NH3+] ZINC000685955668 538901059 /nfs/dbraw/zinc/90/10/59/538901059.db2.gz NOBUVARMMGCZCZ-LURJTMIESA-N 1 0 227.276 1.265 10 0 BDAERO CNCC(F)(F)CN(C)C1CCCC1 ZINC000685957047 538903982 /nfs/dbraw/zinc/90/39/82/538903982.db2.gz KVVRBTCOMPJPOV-UHFFFAOYSA-N 1 0 206.280 1.716 10 0 BDAERO C[NH2+]Cc1cnc(C(Cl)(Cl)Cl)[nH]1 ZINC000685958654 538906231 /nfs/dbraw/zinc/90/62/31/538906231.db2.gz CNHLHUOOMOTVFV-UHFFFAOYSA-N 1 0 228.510 1.956 10 0 BDAERO Cc1cc(C)n(CCCC[NH2+]C2CC2)c(=O)n1 ZINC000053500053 177925276 /nfs/dbraw/zinc/92/52/76/177925276.db2.gz PNEHTDOQAURAEM-UHFFFAOYSA-N 1 0 235.331 1.392 10 0 BDAERO CC(C)[NH2+]CC[C@@H](CO)[C@@H]1CCOC1 ZINC000685960860 538907745 /nfs/dbraw/zinc/90/77/45/538907745.db2.gz FTWGLJQTCOIHJO-WDEREUQCSA-N 1 0 201.310 1.020 10 0 BDAERO COCC[NH2+]CC[C@H](CO)C1CCCCC1 ZINC000685960999 538908149 /nfs/dbraw/zinc/90/81/49/538908149.db2.gz LLXWRDSOKMWKCL-CYBMUJFWSA-N 1 0 229.364 1.801 10 0 BDAERO CN(C)c1nc2c(n1C(C)(C)C)CC[NH2+]C2 ZINC000685962467 538909126 /nfs/dbraw/zinc/90/91/26/538909126.db2.gz JDDQWNUGDXPVGM-UHFFFAOYSA-N 1 0 222.336 1.350 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H]([NH2+]CC)C[C@H]1C ZINC000685954498 538896684 /nfs/dbraw/zinc/89/66/84/538896684.db2.gz NQQJXFJMQHKNAV-GRYCIOLGSA-N 1 0 247.404 1.978 10 0 BDAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CCCC1)C2 ZINC000685952728 538896759 /nfs/dbraw/zinc/89/67/59/538896759.db2.gz PJALZLDPHSJUGK-WCQGTBRESA-N 1 0 222.332 1.515 10 0 BDAERO C[C@@H](O)CC[NH2+][C@H]1CCc2c1cccc2O ZINC000082993423 349442662 /nfs/dbraw/zinc/44/26/62/349442662.db2.gz SDYLHRHLVMXGKB-SKDRFNHKSA-N 1 0 221.300 1.740 10 0 BDAERO Cc1cc(F)ccc1[C@H]1C[NH2+]C[C@@]1(C)N ZINC000685965379 538911939 /nfs/dbraw/zinc/91/19/39/538911939.db2.gz BTSFVHGSEUQMQC-VXGBXAGGSA-N 1 0 208.280 1.538 10 0 BDAERO Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)c(C)c1 ZINC000685965340 538911977 /nfs/dbraw/zinc/91/19/77/538911977.db2.gz ACQWAPJYCYKMMO-STQMWFEESA-N 1 0 204.317 1.708 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1F ZINC000685965580 538912055 /nfs/dbraw/zinc/91/20/55/538912055.db2.gz JZHVKEAUCVTFQU-JOYOIKCWSA-N 1 0 224.279 1.239 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1ccccc1C1CC1 ZINC000685965623 538912507 /nfs/dbraw/zinc/91/25/07/538912507.db2.gz LQKPQHUTAAIGON-ZIAGYGMSSA-N 1 0 216.328 1.968 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000160858737 538912977 /nfs/dbraw/zinc/91/29/77/538912977.db2.gz HXFQATCTLUZTAK-OLZOCXBDSA-N 1 0 249.358 1.453 10 0 BDAERO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000161576837 538917102 /nfs/dbraw/zinc/91/71/02/538917102.db2.gz JZWOUZOCZMLPLH-WCQYABFASA-N 1 0 226.364 1.485 10 0 BDAERO Cc1cc(CC[NH3+])cc(C(F)(F)F)n1 ZINC000095768035 177963119 /nfs/dbraw/zinc/96/31/19/177963119.db2.gz BLTVRXQQENZGQC-UHFFFAOYSA-N 1 0 204.195 1.910 10 0 BDAERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000336741163 187322303 /nfs/dbraw/zinc/32/23/03/187322303.db2.gz MYSVOKNNPBAYQD-CABZTGNLSA-N 1 0 225.288 1.579 10 0 BDAERO CN[C@H]([NH3+])CCCC(=O)OC(C)(C)C ZINC000071186623 398145024 /nfs/dbraw/zinc/14/50/24/398145024.db2.gz YIZDRRZCFNNKLB-QMMMGPOBSA-N 1 0 202.298 1.003 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccnc2ccnn21 ZINC000155605082 136213112 /nfs/dbraw/zinc/21/31/12/136213112.db2.gz CSJAHVDIWIAENI-LDYMZIIASA-N 1 0 247.302 1.041 10 0 BDAERO CC(C)([NH3+])C(=O)c1ccc2c(c1)OCCO2 ZINC000058327436 187322465 /nfs/dbraw/zinc/32/24/65/187322465.db2.gz FDIJXQVQIZWKOH-UHFFFAOYSA-N 1 0 221.256 1.378 10 0 BDAERO CCC[C@@H](C[NH3+])[C@@H](O)c1cncs1 ZINC000161778588 538918316 /nfs/dbraw/zinc/91/83/16/538918316.db2.gz DMCZWIIBUMSYQT-IONNQARKSA-N 1 0 200.307 1.552 10 0 BDAERO CC[C@](C)(C[NH3+])[C@H](O)c1cncs1 ZINC000161774367 538918331 /nfs/dbraw/zinc/91/83/31/538918331.db2.gz QGSQTMYTHQVZDV-RKDXNWHRSA-N 1 0 200.307 1.552 10 0 BDAERO CC(=O)N(c1ccc(C[NH3+])cc1)C1CC1 ZINC000034654926 187321509 /nfs/dbraw/zinc/32/15/09/187321509.db2.gz VQYJZFNKPCDIRD-UHFFFAOYSA-N 1 0 204.273 1.661 10 0 BDAERO OCC[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000161586149 349480705 /nfs/dbraw/zinc/48/07/05/349480705.db2.gz IHCRZEHVOIIBHZ-CYBMUJFWSA-N 1 0 220.316 1.328 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000379573470 398153243 /nfs/dbraw/zinc/15/32/43/398153243.db2.gz XKKDYJGEGFGVAI-AXFHLTTASA-N 1 0 224.348 1.474 10 0 BDAERO Cc1cc(CNC2=[NH+]C[C@@H](C)S2)on1 ZINC000045005800 178018719 /nfs/dbraw/zinc/01/87/19/178018719.db2.gz FPCQMASXYGCWLS-SSDOTTSWSA-N 1 0 211.290 1.564 10 0 BDAERO Cc1cc(C[NH2+]CCn2cncn2)cc(C)c1O ZINC000289343565 178023666 /nfs/dbraw/zinc/02/36/66/178023666.db2.gz WKZPJKXVOCKFEI-UHFFFAOYSA-N 1 0 246.314 1.390 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)c1nccs1 ZINC000390256331 398169260 /nfs/dbraw/zinc/16/92/60/398169260.db2.gz MEJDBCKYLPAVPS-MRVPVSSYSA-N 1 0 227.333 1.479 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000390459386 398172906 /nfs/dbraw/zinc/17/29/06/398172906.db2.gz FEPVMVATRKYSND-WFBLGPOFSA-N 1 0 210.321 1.419 10 0 BDAERO CCC[C@@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000379877837 398173329 /nfs/dbraw/zinc/17/33/29/398173329.db2.gz BAIBDQUYLZRPED-GHMZBOCLSA-N 1 0 212.337 1.823 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCN(C)C2)c(C)n1C ZINC000052790425 178040351 /nfs/dbraw/zinc/04/03/51/178040351.db2.gz MOKMMNNTTIJTAW-AWEZNQCLSA-N 1 0 235.375 1.826 10 0 BDAERO N#CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306697930 398176352 /nfs/dbraw/zinc/17/63/52/398176352.db2.gz GPRIWJGJYBMWMX-CABCVRRESA-N 1 0 241.338 1.921 10 0 BDAERO CC[C@H](O)C[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000379924526 398177279 /nfs/dbraw/zinc/17/72/79/398177279.db2.gz KHAQXRUQNVTCGS-GRYCIOLGSA-N 1 0 214.353 1.076 10 0 BDAERO OC1CC([NH2+][C@@H]2CCCSCC2)C1 ZINC000575518089 398180784 /nfs/dbraw/zinc/18/07/84/398180784.db2.gz KIEFTZJVILXJOY-XNWIYYODSA-N 1 0 201.335 1.385 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1csc(C)n1 ZINC000307397263 398160614 /nfs/dbraw/zinc/16/06/14/398160614.db2.gz QOFCBOWZHSFGHH-ZETCQYMHSA-N 1 0 213.306 1.517 10 0 BDAERO Cc1csc2c1ncnc2OCC[NH3+] ZINC000222366505 398185857 /nfs/dbraw/zinc/18/58/57/398185857.db2.gz XFEPANBDQRGNEN-UHFFFAOYSA-N 1 0 209.274 1.337 10 0 BDAERO Cc1cc(F)ccc1N1CC[C@@H](C[NH3+])C1 ZINC000019503653 178088884 /nfs/dbraw/zinc/08/88/84/178088884.db2.gz MSCQUCSITVLHBB-JTQLQIEISA-N 1 0 208.280 1.919 10 0 BDAERO Cc1cc(F)ccc1[C@@H]([NH3+])CS(C)(=O)=O ZINC000055228537 178092360 /nfs/dbraw/zinc/09/23/60/178092360.db2.gz PBEZZNPFARKJFY-JTQLQIEISA-N 1 0 231.292 1.179 10 0 BDAERO Nc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000649386196 398193148 /nfs/dbraw/zinc/19/31/48/398193148.db2.gz GLCFTCACPCGXIT-ONGXEEELSA-N 1 0 203.289 1.648 10 0 BDAERO Cc1cc(N(C)[C@@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000095070535 178100236 /nfs/dbraw/zinc/10/02/36/178100236.db2.gz OBWBVSBVOISOBC-MRVPVSSYSA-N 1 0 226.711 1.237 10 0 BDAERO C[NH2+]C1CCN([C@H](C)C(F)(F)F)CC1 ZINC000306780139 398195205 /nfs/dbraw/zinc/19/52/05/398195205.db2.gz INZPMCIXDZCVMC-SSDOTTSWSA-N 1 0 210.243 1.621 10 0 BDAERO Cc1nc(C)c(C[N@H+]2CCC[C@H](O)[C@@H]2C)o1 ZINC000649951658 398196259 /nfs/dbraw/zinc/19/62/59/398196259.db2.gz KJYGWXQJGYMTRR-ONGXEEELSA-N 1 0 224.304 1.637 10 0 BDAERO CC[C@H](CO)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000380348704 398196450 /nfs/dbraw/zinc/19/64/50/398196450.db2.gz URVWLDRKSUQXMR-VXGBXAGGSA-N 1 0 215.337 1.288 10 0 BDAERO Cc1cc(N)ccc1N1CCC[N@@H+](C)CC1 ZINC000036950085 178106233 /nfs/dbraw/zinc/10/62/33/178106233.db2.gz RYHWWKMGZKNQKD-UHFFFAOYSA-N 1 0 219.332 1.719 10 0 BDAERO Cc1cc(N2CC[C@H](N3CCOCC3)C2)cc[nH+]1 ZINC000302551387 178118982 /nfs/dbraw/zinc/11/89/82/178118982.db2.gz IKFYYGKCUYGCJU-AWEZNQCLSA-N 1 0 247.342 1.301 10 0 BDAERO Cc1cc(N2CC[C@H]([NH+](C)C)C2)nc(C2CC2)n1 ZINC000116260866 178119001 /nfs/dbraw/zinc/11/90/01/178119001.db2.gz XWOOLBJDLMRMFN-LBPRGKRZSA-N 1 0 246.358 1.803 10 0 BDAERO CC(C)CCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336750918 398203296 /nfs/dbraw/zinc/20/32/96/398203296.db2.gz GAUCQMZJFNCGFI-WDEREUQCSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@H]1CN(C(=O)CCc2cccnc2)C[C@H]1C[NH3+] ZINC000638892552 398203752 /nfs/dbraw/zinc/20/37/52/398203752.db2.gz JEXIUWWEUUTZQN-WCQYABFASA-N 1 0 247.342 1.067 10 0 BDAERO Cc1cc(NC(=O)C2([NH3+])CCCC2)no1 ZINC000037479371 178125257 /nfs/dbraw/zinc/12/52/57/178125257.db2.gz KCOYYWKYZGWSLU-UHFFFAOYSA-N 1 0 209.249 1.193 10 0 BDAERO CC(C)[C@@H](CCO)[NH2+]C[C@@H]1CCCN1C ZINC000386375233 398207418 /nfs/dbraw/zinc/20/74/18/398207418.db2.gz ZMPPKLOPPQWGBX-NWDGAFQWSA-N 1 0 214.353 1.077 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1ccnc1 ZINC000161867919 349516969 /nfs/dbraw/zinc/51/69/69/349516969.db2.gz GAJWMAFGAXZBOK-QWHCGFSZSA-N 1 0 234.347 1.052 10 0 BDAERO Cc1cc(C)n(CC[N@@H+]2CC[C@H](CCO)C2)n1 ZINC000336717541 398213878 /nfs/dbraw/zinc/21/38/78/398213878.db2.gz WJICFWHYQPMSLY-CYBMUJFWSA-N 1 0 237.347 1.204 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)no1 ZINC000019479549 178146804 /nfs/dbraw/zinc/14/68/04/178146804.db2.gz CDXUZFAEOVQQEO-VWYCJHECSA-N 1 0 249.314 1.842 10 0 BDAERO C[C@H](C[NH3+])CNc1ccc(OC(F)F)cn1 ZINC000336894533 398218237 /nfs/dbraw/zinc/21/82/37/398218237.db2.gz XCXRFMNXYSALTF-SSDOTTSWSA-N 1 0 231.246 1.112 10 0 BDAERO Cc1cc(N[C@@H]2CCCNC2=O)cc[nH+]1 ZINC000229566025 192028279 /nfs/dbraw/zinc/02/82/79/192028279.db2.gz BITVUZBEPZMRSQ-SNVBAGLBSA-N 1 0 205.261 1.081 10 0 BDAERO Cc1cc(N[C@H]2CCCC[C@H]2[NH3+])ncn1 ZINC000040727556 178189089 /nfs/dbraw/zinc/18/90/89/178189089.db2.gz SGSVEVVQBYKOCN-ZJUUUORDSA-N 1 0 206.293 1.467 10 0 BDAERO CC(C)=CC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000264285417 187331579 /nfs/dbraw/zinc/33/15/79/187331579.db2.gz UZJITMRNZCITOQ-NSHDSACASA-N 1 0 210.321 1.363 10 0 BDAERO Cc1cc(N[C@H]2CC[C@@H]([NH+](C)C)C2)ncn1 ZINC000301919878 178189969 /nfs/dbraw/zinc/18/99/69/178189969.db2.gz IUBPGHABBFCBRF-WDEREUQCSA-N 1 0 220.320 1.680 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000246172718 361754423 /nfs/dbraw/zinc/75/44/23/361754423.db2.gz XZYDZIGZFPNEDP-FOGDFJRCSA-N 1 0 237.347 1.178 10 0 BDAERO Cc1cc(OCCN(C)CC[NH3+])ccc1Cl ZINC000077391598 178211184 /nfs/dbraw/zinc/21/11/84/178211184.db2.gz HCWIVAAMIOWPBJ-UHFFFAOYSA-N 1 0 242.750 1.918 10 0 BDAERO Cc1cc(OC[C@H]2CCCC[NH2+]2)nc(C)n1 ZINC000051883266 178211862 /nfs/dbraw/zinc/21/18/62/178211862.db2.gz LOTQVSZRRITFRF-LLVKDONJSA-N 1 0 221.304 1.614 10 0 BDAERO CCC(CC)C[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000308852622 168354674 /nfs/dbraw/zinc/35/46/74/168354674.db2.gz RRFKBCFAWQZTPS-VXGBXAGGSA-N 1 0 215.337 1.504 10 0 BDAERO CC(C)OCc1nc2c(s1)C[NH2+]CC2 ZINC000306643424 361781311 /nfs/dbraw/zinc/78/13/11/361781311.db2.gz WOWSMOYUQKYOBV-UHFFFAOYSA-N 1 0 212.318 1.714 10 0 BDAERO Cc1cc([C@@H]([NH2+]C(C)C)C(N)=O)c(C)s1 ZINC000049687581 178237321 /nfs/dbraw/zinc/23/73/21/178237321.db2.gz KBGSDBJOPJUDRX-SNVBAGLBSA-N 1 0 226.345 1.889 10 0 BDAERO Cc1cc([C@@H](O)C[NH3+])c2ccccc2n1 ZINC000083284135 178238829 /nfs/dbraw/zinc/23/88/29/178238829.db2.gz LTHHHFMREZKWPS-LBPRGKRZSA-N 1 0 202.257 1.535 10 0 BDAERO Cc1cc([C@H](C[NH3+])N2CCOCC2)c(C)s1 ZINC000049687169 178260810 /nfs/dbraw/zinc/26/08/10/178260810.db2.gz MZPUCIRRVVNBSB-LBPRGKRZSA-N 1 0 240.372 1.697 10 0 BDAERO Cc1cc([C@H](O)[C@H]2CCC[NH2+]2)ccc1F ZINC000032012161 178264729 /nfs/dbraw/zinc/26/47/29/178264729.db2.gz GRIFMZSIHLZGIF-NEPJUHHUSA-N 1 0 209.264 1.920 10 0 BDAERO CCN1CCO[C@@H](CNc2cc[nH+]c(C)c2)C1 ZINC000166120743 538938892 /nfs/dbraw/zinc/93/88/92/538938892.db2.gz QGQLQNORQGZNBL-ZDUSSCGKSA-N 1 0 235.331 1.523 10 0 BDAERO Cc1cc([C@]2(C)C[C@@]2(C[NH3+])CO)c(C)o1 ZINC000070501121 178270333 /nfs/dbraw/zinc/27/03/33/178270333.db2.gz LDRSXVRLQNAALR-NWDGAFQWSA-N 1 0 209.289 1.495 10 0 BDAERO Cc1cc2c(n1Cc1nncn1C)CCC[C@H]2[NH3+] ZINC000050422254 178292943 /nfs/dbraw/zinc/29/29/43/178292943.db2.gz PEEWFRBFKCQXFB-LLVKDONJSA-N 1 0 245.330 1.309 10 0 BDAERO CCC(CC)N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062890922 168367860 /nfs/dbraw/zinc/36/78/60/168367860.db2.gz HIFGCTKCJALTCT-GFCCVEGCSA-N 1 0 212.337 1.633 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1[C@H](C)CC[C@@H]1C ZINC000381297291 398250101 /nfs/dbraw/zinc/25/01/01/398250101.db2.gz GYNHLJUPORATHQ-OUAUKWLOSA-N 1 0 212.337 1.759 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCO)CC2)[C@@H]1C ZINC000381045468 398252475 /nfs/dbraw/zinc/25/24/75/398252475.db2.gz DCXPWKYKDLBHHM-NQBHXWOUSA-N 1 0 226.364 1.077 10 0 BDAERO Cc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)cc1 ZINC000062669928 178321507 /nfs/dbraw/zinc/32/15/07/178321507.db2.gz FLMRTTVYBZTTGQ-UHFFFAOYSA-N 1 0 242.326 1.795 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000381341280 398253638 /nfs/dbraw/zinc/25/36/38/398253638.db2.gz XSTSIXQGSYHMIR-ZYHUDNBSSA-N 1 0 224.348 1.776 10 0 BDAERO Cc1ccc(-c2nc(C[C@H](C)[NH3+])no2)cc1 ZINC000054161354 178336161 /nfs/dbraw/zinc/33/61/61/178336161.db2.gz PNBFVSMFZKRBGR-VIFPVBQESA-N 1 0 217.272 1.935 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2(CO)CC2)[C@@H]2CCO[C@@H]21 ZINC000168833253 538945803 /nfs/dbraw/zinc/94/58/03/538945803.db2.gz PMXMIUQLKSBPJG-AXFHLTTASA-N 1 0 225.332 1.162 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)O1 ZINC000381387439 398255337 /nfs/dbraw/zinc/25/53/37/398255337.db2.gz MNKXNYHXZRVWTF-FHUSYTEZSA-N 1 0 224.348 1.223 10 0 BDAERO CCC(CC)N(C)[C@H]1COCC[C@@H]1[NH3+] ZINC000036305489 168369453 /nfs/dbraw/zinc/36/94/53/168369453.db2.gz CYWITRINUMBAKA-QWRGUYRKSA-N 1 0 200.326 1.223 10 0 BDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cscc1Cl ZINC000381583742 398264706 /nfs/dbraw/zinc/26/47/06/398264706.db2.gz GLDTWWPVILPBLV-OIBJUYFYSA-N 1 0 246.763 1.071 10 0 BDAERO Cc1ccc(=O)n(CC[C@H]2CCCC[NH2+]2)n1 ZINC000041631007 178361194 /nfs/dbraw/zinc/36/11/94/178361194.db2.gz HANZFUGRMQZBEC-LLVKDONJSA-N 1 0 221.304 1.084 10 0 BDAERO Cc1ccc(-n2nnnc2C[NH2+]C(C)(C)C)cc1 ZINC000054744503 178350388 /nfs/dbraw/zinc/35/03/88/178350388.db2.gz RWEGVHHNOPVBIW-UHFFFAOYSA-N 1 0 245.330 1.859 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000042526131 168371616 /nfs/dbraw/zinc/37/16/16/168371616.db2.gz PAOAYBRFKAJYIP-LLVKDONJSA-N 1 0 244.379 1.369 10 0 BDAERO CCCNC(=O)NC[C@@H]([NH3+])C(CC)CC ZINC000230630026 538950693 /nfs/dbraw/zinc/95/06/93/538950693.db2.gz JVZDEQOZOJFLHU-SNVBAGLBSA-N 1 0 215.341 1.459 10 0 BDAERO CCC(CC)N(CCO)C(=O)C[NH2+][C@H](C)CC ZINC000042526214 168372133 /nfs/dbraw/zinc/37/21/33/168372133.db2.gz NPIVRGXXEJKLOC-LLVKDONJSA-N 1 0 244.379 1.384 10 0 BDAERO CCC(CC)N(CC[NH3+])C(=O)c1cccnc1 ZINC000104308293 168372145 /nfs/dbraw/zinc/37/21/45/168372145.db2.gz QIJQFTRNIZKCNC-UHFFFAOYSA-N 1 0 235.331 1.671 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@@H](C)C[NH3+])o1 ZINC000042455222 178378604 /nfs/dbraw/zinc/37/86/04/178378604.db2.gz LKGGCFFEBKPDMB-QMMMGPOBSA-N 1 0 210.277 1.255 10 0 BDAERO CCC(CC)N(CC[NH3+])CC(=O)NC(C)(C)C ZINC000104318479 168372429 /nfs/dbraw/zinc/37/24/29/168372429.db2.gz PLSCLGPJYZBUEY-UHFFFAOYSA-N 1 0 243.395 1.350 10 0 BDAERO Cc1ccc(C(=O)N(CC[NH3+])C(C)C)cn1 ZINC000041056062 178382483 /nfs/dbraw/zinc/38/24/83/178382483.db2.gz QWTRKLMENQNGML-UHFFFAOYSA-N 1 0 221.304 1.199 10 0 BDAERO CSCCC[C@@H](O)C1(C[NH3+])CCC1 ZINC000231743800 538952702 /nfs/dbraw/zinc/95/27/02/538952702.db2.gz ZCGFSAPLPVRPPZ-SECBINFHSA-N 1 0 203.351 1.620 10 0 BDAERO [NH3+]CCN1CC[C@H](n2ccnc2)c2ccccc21 ZINC000616589609 349559784 /nfs/dbraw/zinc/55/97/84/349559784.db2.gz RXZVBWIQSIEEFR-AWEZNQCLSA-N 1 0 242.326 1.641 10 0 BDAERO CCCNC(=O)NC[C@H]([NH3+])C(CC)CC ZINC000230630144 538950599 /nfs/dbraw/zinc/95/05/99/538950599.db2.gz JVZDEQOZOJFLHU-JTQLQIEISA-N 1 0 215.341 1.459 10 0 BDAERO Nc1[nH+]ccn1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715390564 538957471 /nfs/dbraw/zinc/95/74/71/538957471.db2.gz FGTFVDFLNMIPFG-NXEZZACHSA-N 1 0 207.277 1.423 10 0 BDAERO Cc1nc(C2([NH3+])CC2)ncc1Br ZINC000306647837 361837561 /nfs/dbraw/zinc/83/75/61/361837561.db2.gz PNDMRKMOHTYUDX-UHFFFAOYSA-N 1 0 228.093 1.495 10 0 BDAERO Nc1ccccc1C(=O)OCC[C@@H]1CCCC[NH2+]1 ZINC000000000638 342669360 /nfs/dbraw/zinc/66/93/60/342669360.db2.gz BMIJYAZXNZEMLI-NSHDSACASA-N 1 0 248.326 1.958 10 0 in-man BDAERO COC[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000165441437 361840692 /nfs/dbraw/zinc/84/06/92/361840692.db2.gz HQEUTENZITXBIR-QJPTWQEYSA-N 1 0 215.337 1.672 10 0 BDAERO CC(C)[N@H+](C)C[C@H](O)c1cccc(N)c1 ZINC000001846911 342712846 /nfs/dbraw/zinc/71/28/46/342712846.db2.gz XODLLHICFNHZSZ-LBPRGKRZSA-N 1 0 208.305 1.642 10 0 BDAERO C[C@@H]1C(=O)NCCCN1Cc1cccs1 ZINC000189106832 346859501 /nfs/dbraw/zinc/85/95/01/346859501.db2.gz LXTLJUXYQZOOAE-SECBINFHSA-N 1 0 224.329 1.459 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@H]1Cc1sccc1Cl ZINC000306652996 361860235 /nfs/dbraw/zinc/86/02/35/361860235.db2.gz GSQZTNQDABTKDH-VXNVDRBHSA-N 1 0 231.748 1.914 10 0 BDAERO CCC[NH2+][C@H](CO)c1cccc(OC)c1 ZINC000038123407 538965342 /nfs/dbraw/zinc/96/53/42/538965342.db2.gz LWLMHKAXLMXNST-GFCCVEGCSA-N 1 0 209.289 1.728 10 0 BDAERO N#Cc1ccc(CCN2CC[NH2+]CC2)cc1F ZINC000145708490 342761942 /nfs/dbraw/zinc/76/19/42/342761942.db2.gz XJOQPIJRGOTHMS-UHFFFAOYSA-N 1 0 233.290 1.145 10 0 BDAERO CCC(CC)[NH2+]CC(=O)N[C@H](C)CC ZINC000020037185 168386710 /nfs/dbraw/zinc/38/67/10/168386710.db2.gz DHIMJQKYJIMVHK-SECBINFHSA-N 1 0 200.326 1.679 10 0 BDAERO COC(C)(C)CCn1cc(C(C)(C)[NH3+])nn1 ZINC000231047955 488179939 /nfs/dbraw/zinc/17/99/39/488179939.db2.gz SMWXVBYHALJNMY-UHFFFAOYSA-N 1 0 226.324 1.287 10 0 BDAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cncnc2)cn1 ZINC000188415984 538978571 /nfs/dbraw/zinc/97/85/71/538978571.db2.gz HKPPUYVICHWFKT-ZDUSSCGKSA-N 1 0 243.314 1.338 10 0 BDAERO CCC(F)(F)CNCc1cnn(C)c1C ZINC000623679591 398290527 /nfs/dbraw/zinc/29/05/27/398290527.db2.gz ADZRCGQGMAAUQW-UHFFFAOYSA-N 1 0 217.263 1.863 10 0 BDAERO [NH3+]CC1(Nc2ccc(Br)cn2)CC1 ZINC000127045384 342816728 /nfs/dbraw/zinc/81/67/28/342816728.db2.gz JTWKPEMKMUBEIE-UHFFFAOYSA-N 1 0 242.120 1.747 10 0 BDAERO C[N@H+](C[C@@H]1CSCCN1)C1CCCC1 ZINC000127054289 342819957 /nfs/dbraw/zinc/81/99/57/342819957.db2.gz HMENKNTVQXTXEG-SNVBAGLBSA-N 1 0 214.378 1.566 10 0 BDAERO CCC(CC)[NH2+][C@H]1CCc2nccn2C1 ZINC000308946108 168393935 /nfs/dbraw/zinc/39/39/35/168393935.db2.gz NTIYALIAIAQIFG-NSHDSACASA-N 1 0 207.321 1.976 10 0 BDAERO [NH3+][C@@H]1CCN(C2CC2)[C@H]1c1cscn1 ZINC000126935393 342806107 /nfs/dbraw/zinc/80/61/07/342806107.db2.gz DFDKHYNCLZMCBG-PSASIEDQSA-N 1 0 209.318 1.380 10 0 BDAERO Cc1c[nH+]ccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000379925265 538982033 /nfs/dbraw/zinc/98/20/33/538982033.db2.gz KWWZTOBWNOPEPJ-GHMZBOCLSA-N 1 0 206.289 1.527 10 0 BDAERO COC[C@H](C)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000189503532 538983389 /nfs/dbraw/zinc/98/33/89/538983389.db2.gz AZRDMJZRSXLUNQ-VWYCJHECSA-N 1 0 201.310 1.378 10 0 BDAERO Cc1cnn(C)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000381593694 539004468 /nfs/dbraw/zinc/00/44/68/539004468.db2.gz KPNAUGPVZKUJQJ-NSHDSACASA-N 1 0 223.320 1.387 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCSC2)[C@@H](C)C1 ZINC000381251814 538997142 /nfs/dbraw/zinc/99/71/42/538997142.db2.gz PQADREVMRRFFQS-WCQGTBRESA-N 1 0 242.388 1.338 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)C2CC2)[C@H](C)C1 ZINC000381293368 538997904 /nfs/dbraw/zinc/99/79/04/538997904.db2.gz FGYLJPJPDZYHQT-NRUUGDAUSA-N 1 0 224.348 1.631 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CCn2ccnc2C1)C1CC1 ZINC000381322154 538998432 /nfs/dbraw/zinc/99/84/32/538998432.db2.gz PDXBATKUHXPVAH-GHMZBOCLSA-N 1 0 219.332 1.834 10 0 BDAERO c1csc(N[C@H]2CC[N@@H+]3CCC[C@H]23)n1 ZINC000042338226 361980626 /nfs/dbraw/zinc/98/06/26/361980626.db2.gz PGOXLSBRTIWMEU-DTWKUNHWSA-N 1 0 209.318 1.792 10 0 BDAERO CC(=O)c1ccc(-c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000725265761 539027111 /nfs/dbraw/zinc/02/71/11/539027111.db2.gz YVURDLNCAYMMIB-UHFFFAOYSA-N 1 0 241.294 1.925 10 0 BDAERO CC[N@H+]1C[C@H](Nc2ncc(C)cn2)[C@@H](C)C1 ZINC000390654010 539027149 /nfs/dbraw/zinc/02/71/49/539027149.db2.gz QBHUNAGZCKTGEW-QWRGUYRKSA-N 1 0 220.320 1.537 10 0 BDAERO C[C@H]1CSCC[N@@H+]1[C@@H]1CCCCC1=O ZINC000069761253 342839874 /nfs/dbraw/zinc/83/98/74/342839874.db2.gz SQXYWYQMCPQCOM-VHSXEESVSA-N 1 0 213.346 1.935 10 0 BDAERO Cc1c(-c2ccccc2)nc2n1CCNC2 ZINC000062605565 539016538 /nfs/dbraw/zinc/01/65/38/539016538.db2.gz TUJPRQNKDGDJLE-UHFFFAOYSA-N 1 0 213.284 1.962 10 0 BDAERO CC[C@H]1CO[C@H](C)CN1C(C)(C)C[NH3+] ZINC000042450408 362002502 /nfs/dbraw/zinc/00/25/02/362002502.db2.gz FRDOSWMIMKVVCK-ZJUUUORDSA-N 1 0 200.326 1.223 10 0 BDAERO CC(C)([NH3+])c1nc([C@@H]2CCOC2)cs1 ZINC000164975939 342861308 /nfs/dbraw/zinc/86/13/08/342861308.db2.gz QEVFSMSJZIHOBT-SSDOTTSWSA-N 1 0 212.318 1.841 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000300385491 259326887 /nfs/dbraw/zinc/32/68/87/259326887.db2.gz NPOVJBGEIYYPEA-GJMOJQLCSA-N 1 0 211.227 1.688 10 0 BDAERO CN(C)c1cccc(Br)c1C(N)=[NH2+] ZINC000165044218 342872372 /nfs/dbraw/zinc/87/23/72/342872372.db2.gz VRLUFADYOWNOPX-UHFFFAOYSA-N 1 0 242.120 1.799 10 0 BDAERO CNc1cccc(Br)c1C(N)=[NH2+] ZINC000165046973 342872483 /nfs/dbraw/zinc/87/24/83/342872483.db2.gz MXLVYVXKMHMHEG-UHFFFAOYSA-N 1 0 228.093 1.775 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC1(C)C ZINC000233000487 342894292 /nfs/dbraw/zinc/89/42/92/342894292.db2.gz LMMYYWGNIRWGHO-NWDGAFQWSA-N 1 0 229.364 1.800 10 0 BDAERO c1cc2cnccc2c([C@@H]2C[NH2+]CCN2)c1 ZINC000309152346 342897488 /nfs/dbraw/zinc/89/74/88/342897488.db2.gz KADVWWKMTKDLEB-ZDUSSCGKSA-N 1 0 213.284 1.469 10 0 BDAERO CC(C)NC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000134760288 342883574 /nfs/dbraw/zinc/88/35/74/342883574.db2.gz CBAYWLMAEJALSF-NWDGAFQWSA-N 1 0 239.363 1.663 10 0 BDAERO C[C@]([NH3+])(CO)c1ccc(Br)o1 ZINC000134755750 342883602 /nfs/dbraw/zinc/88/36/02/342883602.db2.gz DMEOBIWSJCIQNU-ZETCQYMHSA-N 1 0 220.066 1.208 10 0 BDAERO C[NH2+][C@H]1CCOC[C@H]1OCc1ccccc1 ZINC000044039768 398313141 /nfs/dbraw/zinc/31/31/41/398313141.db2.gz ZOBPTXOKYNJESF-QWHCGFSZSA-N 1 0 221.300 1.580 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC000232988688 342891425 /nfs/dbraw/zinc/89/14/25/342891425.db2.gz BPGGLTQOFPVSMG-STQMWFEESA-N 1 0 245.363 1.180 10 0 BDAERO CC[NH2+][C@H](C)c1cn(CCC(C)C)nn1 ZINC000309101402 342893075 /nfs/dbraw/zinc/89/30/75/342893075.db2.gz JHUXSXXSVFGGHC-SNVBAGLBSA-N 1 0 210.325 1.995 10 0 BDAERO CC[C@@H](C[NH3+])Nc1nc(Cl)cs1 ZINC000165315274 342906243 /nfs/dbraw/zinc/90/62/43/342906243.db2.gz SLHJNYXYCFGQEG-YFKPBYRVSA-N 1 0 205.714 1.946 10 0 BDAERO CC[C@H](C[NH3+])Nc1nc(Cl)cs1 ZINC000165315387 342907620 /nfs/dbraw/zinc/90/76/20/342907620.db2.gz SLHJNYXYCFGQEG-RXMQYKEDSA-N 1 0 205.714 1.946 10 0 BDAERO CCc1cnc(CN[C@@H]2CCO[C@@H]2C)o1 ZINC000234252389 342918993 /nfs/dbraw/zinc/91/89/93/342918993.db2.gz CWHXJDCIXJCOFH-PSASIEDQSA-N 1 0 210.277 1.504 10 0 BDAERO Cc1cn(-c2ccc(NC(N)=[NH2+])cc2F)cn1 ZINC000116678773 342932402 /nfs/dbraw/zinc/93/24/02/342932402.db2.gz WXLPUWGPQHCVCP-UHFFFAOYSA-N 1 0 233.250 1.625 10 0 BDAERO Cc1ccc(C)c(C(=O)N(C)C[C@@H](C)C[NH3+])c1 ZINC000042455142 178465169 /nfs/dbraw/zinc/46/51/69/178465169.db2.gz HKHBNKODXDYOPW-NSHDSACASA-N 1 0 234.343 1.970 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038096932 398335978 /nfs/dbraw/zinc/33/59/78/398335978.db2.gz DRXXKJXHZLUHOA-GARJFASQSA-N 1 0 228.336 1.045 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)[C@H](C)CO1 ZINC000037626266 398333315 /nfs/dbraw/zinc/33/33/15/398333315.db2.gz FZFGGHGKGLBMRU-QYNFOATHSA-N 1 0 240.347 1.140 10 0 BDAERO CC[C@@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037915071 398335226 /nfs/dbraw/zinc/33/52/26/398335226.db2.gz JQVIRPITOFOCEY-HTAVTVPLSA-N 1 0 224.348 1.905 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC[C@H](C)O)C1(C)C ZINC000380170034 346895087 /nfs/dbraw/zinc/89/50/87/346895087.db2.gz GSYMGQOSJYTOAU-UKKRHICBSA-N 1 0 215.337 1.406 10 0 BDAERO [NH3+][C@@H]1CCc2cccc(Br)c2[C@@H]1O ZINC000019795438 342957776 /nfs/dbraw/zinc/95/77/76/342957776.db2.gz PVQXCCKLFYJJIP-PSASIEDQSA-N 1 0 242.116 1.756 10 0 BDAERO [NH3+][C@H]1Cc2cccc(Br)c2[C@@H]1O ZINC000019795390 342957938 /nfs/dbraw/zinc/95/79/38/342957938.db2.gz LDNYPLJRFAEWDF-IONNQARKSA-N 1 0 228.089 1.366 10 0 BDAERO COCCC1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000234819561 342954624 /nfs/dbraw/zinc/95/46/24/342954624.db2.gz JCBJDTNSJFBQCC-WDEREUQCSA-N 1 0 240.347 1.047 10 0 BDAERO CCN(CC[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000304222424 259334359 /nfs/dbraw/zinc/33/43/59/259334359.db2.gz HZWWKQNWDNIQLG-GFCCVEGCSA-N 1 0 228.380 1.467 10 0 BDAERO COC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000020524458 342989605 /nfs/dbraw/zinc/98/96/05/342989605.db2.gz JUMXISKHDBILFF-QWRGUYRKSA-N 1 0 215.337 1.959 10 0 BDAERO COCC[NH+](CCOC)[C@@H](C)C(C)C ZINC000119370792 187222086 /nfs/dbraw/zinc/22/20/86/187222086.db2.gz NVUXZVYQLDHLRA-NSHDSACASA-N 1 0 203.326 1.626 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@]1(OC)CCOC1 ZINC000638696970 352535050 /nfs/dbraw/zinc/53/50/50/352535050.db2.gz IANIEGGYNUCQBK-GRYCIOLGSA-N 1 0 213.321 1.570 10 0 BDAERO C[C@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@H]1[NH3+] ZINC000235732274 343058602 /nfs/dbraw/zinc/05/86/02/343058602.db2.gz HGKQPOXOZQWJJI-JOYOIKCWSA-N 1 0 243.310 1.587 10 0 BDAERO CC(C)[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123295984 187226352 /nfs/dbraw/zinc/22/63/52/187226352.db2.gz XWMHAKRLASFKMJ-RYUDHWBXSA-N 1 0 214.353 1.341 10 0 BDAERO C[C@@H]1CSC(NC[C@@H]2CCSC2)=[NH+]1 ZINC000228589140 362006579 /nfs/dbraw/zinc/00/65/79/362006579.db2.gz PBRQWSUGRFYOJL-SFYZADRCSA-N 1 0 216.375 1.820 10 0 BDAERO Cc1ccc(C)c(OC[C@H]2C[NH2+]CCO2)c1 ZINC000011587400 178489685 /nfs/dbraw/zinc/48/96/85/178489685.db2.gz PVZGLFAYAIFYAI-GFCCVEGCSA-N 1 0 221.300 1.671 10 0 BDAERO N[C@H](C[NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000072201167 343069488 /nfs/dbraw/zinc/06/94/88/343069488.db2.gz JYVJQYMLVBUYBX-UWTATZPHSA-N 1 0 226.148 1.341 10 0 BDAERO COc1ccc([C@H](O)[C@H](C)[NH3+])cc1Cl ZINC000071519476 362006465 /nfs/dbraw/zinc/00/64/65/362006465.db2.gz QRVGVTNWPNIGBJ-QUBYGPBYSA-N 1 0 215.680 1.729 10 0 BDAERO CNc1c(N)c[nH+]c2c(C)c(F)ccc12 ZINC000584881926 343083268 /nfs/dbraw/zinc/08/32/68/343083268.db2.gz HNKADGRITLTQSK-UHFFFAOYSA-N 1 0 205.236 1.728 10 0 BDAERO CNc1c(N)c[nH+]c2ccc(C)c(F)c21 ZINC000584882149 343084373 /nfs/dbraw/zinc/08/43/73/343084373.db2.gz POIHCHUNEOPIGF-UHFFFAOYSA-N 1 0 205.236 1.728 10 0 BDAERO CNc1c(N)c[nH+]c2c(C)ccc(C)c12 ZINC000584882739 343085501 /nfs/dbraw/zinc/08/55/01/343085501.db2.gz OLONALGJMDGYRI-UHFFFAOYSA-N 1 0 201.273 1.897 10 0 BDAERO CC(C)[NH2+]C[C@H](O)C[C@@](C)(O)C(C)C ZINC000584883519 343086654 /nfs/dbraw/zinc/08/66/54/343086654.db2.gz RNUAODFHSKYPLB-GHMZBOCLSA-N 1 0 203.326 1.142 10 0 BDAERO C[C@H]([NH3+])[C@@H](O)c1ccc(O)c(Cl)c1 ZINC000043476850 343087714 /nfs/dbraw/zinc/08/77/14/343087714.db2.gz IPUGKVJPQIZAMO-SSDLBLMSSA-N 1 0 201.653 1.426 10 0 BDAERO Cc1cnc(C)c([C@@H]2C[NH+]3CCC2CC3)n1 ZINC000013448178 343088705 /nfs/dbraw/zinc/08/87/05/343088705.db2.gz HUYPKLAJCAWRKF-GFCCVEGCSA-N 1 0 217.316 1.903 10 0 BDAERO O=C(C[NH2+]C12CC3CC(CC(C3)C1)C2)N1CCC1 ZINC000013523018 343090655 /nfs/dbraw/zinc/09/06/55/343090655.db2.gz CWBBLEZAPBNHFR-UHFFFAOYSA-N 1 0 248.370 1.777 10 0 BDAERO CC[NH2+]C[C@H](O)C[C@](C)(O)C(C)(C)C ZINC000196400121 343077332 /nfs/dbraw/zinc/07/73/32/343077332.db2.gz HVWQWBUUCNOFBR-KOLCDFICSA-N 1 0 203.326 1.144 10 0 BDAERO CC[NH2+]C[C@@H](O)C[C@](C)(O)C(C)(C)C ZINC000196400129 343077569 /nfs/dbraw/zinc/07/75/69/343077569.db2.gz HVWQWBUUCNOFBR-ONGXEEELSA-N 1 0 203.326 1.144 10 0 BDAERO O=C(C[NH2+]Cc1ccccc1)N1CCCCC1 ZINC000013611632 343097418 /nfs/dbraw/zinc/09/74/18/343097418.db2.gz NTFBDIVZKAKFBS-UHFFFAOYSA-N 1 0 232.327 1.789 10 0 BDAERO COC(=O)[C@@H](c1cccc(O)c1)[C@@H]1CCCC[NH2+]1 ZINC000013747238 343102726 /nfs/dbraw/zinc/10/27/26/343102726.db2.gz HOICTGCSZRCUDQ-STQMWFEESA-N 1 0 249.310 1.791 10 0 BDAERO COC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309962518 343109970 /nfs/dbraw/zinc/10/99/70/343109970.db2.gz LYZOIRCNKZCCLE-QJPTWQEYSA-N 1 0 233.327 1.502 10 0 BDAERO CC[C@H]([NH3+])CNc1ncnc2c1CCC2 ZINC000082584207 362066130 /nfs/dbraw/zinc/06/61/30/362066130.db2.gz KIUNUZZEABOMOI-QMMMGPOBSA-N 1 0 206.293 1.115 10 0 BDAERO C[C@H](C(N)=S)[NH+]1CCCCCCC1 ZINC000043513956 343115518 /nfs/dbraw/zinc/11/55/18/343115518.db2.gz VLZRJKHFJQFFPX-SECBINFHSA-N 1 0 200.351 1.927 10 0 BDAERO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=S)C1 ZINC000043514105 343115558 /nfs/dbraw/zinc/11/55/58/343115558.db2.gz CBPMCPKJXJHPKF-DTWKUNHWSA-N 1 0 200.351 1.783 10 0 BDAERO C[C@@H](C[NH3+])N(Cc1ccccc1)C1CC1 ZINC000043513495 343116453 /nfs/dbraw/zinc/11/64/53/343116453.db2.gz ZLPBUFBEIDHBAR-NSHDSACASA-N 1 0 204.317 1.998 10 0 BDAERO CCOC(=O)C[C@H]1C[C@H]([NH3+])Cc2ccccc21 ZINC000143990407 343129384 /nfs/dbraw/zinc/12/93/84/343129384.db2.gz YSXADBVBEVTXSE-VXGBXAGGSA-N 1 0 233.311 1.997 10 0 BDAERO Cc1cc(C[NH+]2CCN(C)CC2)ccc1N ZINC000020071649 343139936 /nfs/dbraw/zinc/13/99/36/343139936.db2.gz GISVYGYETRPBJF-UHFFFAOYSA-N 1 0 219.332 1.325 10 0 BDAERO C=Cn1cc(C[NH2+]C[C@H](O)C(C)(C)C)cn1 ZINC000278924657 187241182 /nfs/dbraw/zinc/24/11/82/187241182.db2.gz VGZBMHZYNJKTNA-NSHDSACASA-N 1 0 223.320 1.480 10 0 BDAERO O=C(Nc1cccc2ccncc21)[C@H]1CC[NH2+]C1 ZINC000131173905 343183109 /nfs/dbraw/zinc/18/31/09/343183109.db2.gz KSYGBHUYWFGTTB-NSHDSACASA-N 1 0 241.294 1.783 10 0 BDAERO C[C@@H](CC[NH3+])NC(=O)c1ccc(N(C)C)cc1 ZINC000050377879 343151932 /nfs/dbraw/zinc/15/19/32/343151932.db2.gz BNBYBDQTMBRUEC-JTQLQIEISA-N 1 0 235.331 1.220 10 0 BDAERO CS[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000122307117 343158994 /nfs/dbraw/zinc/15/89/94/343158994.db2.gz QHMPHZREEMVTQI-NXEZZACHSA-N 1 0 230.377 1.244 10 0 BDAERO COCC[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000308492003 488205699 /nfs/dbraw/zinc/20/56/99/488205699.db2.gz AEODJBGMVIJUGZ-MNOVXSKESA-N 1 0 201.310 1.116 10 0 BDAERO C[C@]1(CNc2ncnc3c2CCC3)CCC[NH2+]C1 ZINC000129351396 343176529 /nfs/dbraw/zinc/17/65/29/343176529.db2.gz WKVRVTOSAPGZJY-AWEZNQCLSA-N 1 0 246.358 1.767 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)CC1CCSCC1 ZINC000157693709 343200433 /nfs/dbraw/zinc/20/04/33/343200433.db2.gz DZLZRIASSYRBGJ-SECBINFHSA-N 1 0 230.377 1.373 10 0 BDAERO CCC([NH3+])(CC)CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000168493306 343210389 /nfs/dbraw/zinc/21/03/89/343210389.db2.gz PJVUCXMDXKRKTM-UWVGGRQHSA-N 1 0 228.336 1.188 10 0 BDAERO CCc1nsc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000165743395 343212190 /nfs/dbraw/zinc/21/21/90/343212190.db2.gz FJRYPZJPOLKHNN-BQBZGAKWSA-N 1 0 214.338 1.638 10 0 BDAERO CCOC(=O)c1cccnc1N(C)CCC[NH3+] ZINC000133831980 343186425 /nfs/dbraw/zinc/18/64/25/343186425.db2.gz CIJYNZKTWWVDAX-UHFFFAOYSA-N 1 0 237.303 1.043 10 0 BDAERO Cc1nc(CN2C[C@H](F)C[C@@H]2C[NH3+])cs1 ZINC000308942717 136274207 /nfs/dbraw/zinc/27/42/07/136274207.db2.gz VIPXLPYFNQHHKS-PSASIEDQSA-N 1 0 229.324 1.323 10 0 BDAERO CCc1nc(CC[NH2+][C@@H]2CC[C@H]2CC)no1 ZINC000310034107 343224350 /nfs/dbraw/zinc/22/43/50/343224350.db2.gz SGRVJKVUGVMGIM-NXEZZACHSA-N 1 0 223.320 1.953 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000086573703 136281025 /nfs/dbraw/zinc/28/10/25/136281025.db2.gz OXOWQFDLTFHRIY-HZGVNTEJSA-N 1 0 210.302 1.345 10 0 BDAERO O[C@@H]1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000216808260 343235185 /nfs/dbraw/zinc/23/51/85/343235185.db2.gz QMCKKUCKZKOOOF-DGCLKSJQSA-N 1 0 203.285 1.741 10 0 BDAERO Cc1ccc(C)c2c1CCN2CC1=[NH+]CCN1 ZINC000211639119 178504295 /nfs/dbraw/zinc/50/42/95/178504295.db2.gz PENKYOUECKIFHJ-UHFFFAOYSA-N 1 0 229.327 1.668 10 0 BDAERO CCOCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023456 136283794 /nfs/dbraw/zinc/28/37/94/136283794.db2.gz HBYMPZDTLZJCIX-CHWSQXEVSA-N 1 0 227.348 1.650 10 0 BDAERO CCC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C ZINC000212912514 343249540 /nfs/dbraw/zinc/24/95/40/343249540.db2.gz PHNZCNMTHNMESF-MNOVXSKESA-N 1 0 212.337 1.776 10 0 BDAERO CCC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C ZINC000212912454 343249644 /nfs/dbraw/zinc/24/96/44/343249644.db2.gz PHNZCNMTHNMESF-GHMZBOCLSA-N 1 0 212.337 1.776 10 0 BDAERO CCOC(=O)C1([NH3+])C[C@H]2CC=CC[C@@H]2C1 ZINC000238251490 343252957 /nfs/dbraw/zinc/25/29/57/343252957.db2.gz RMNJGYMYTXAXEE-NXEZZACHSA-N 1 0 209.289 1.623 10 0 BDAERO C[NH2+][C@@H]1Cc2ccccc2C[C@H]1N(C)C ZINC000238349522 343255743 /nfs/dbraw/zinc/25/57/43/343255743.db2.gz WZIWHFKCBKPXFM-CHWSQXEVSA-N 1 0 204.317 1.303 10 0 BDAERO Nc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000033610909 343257826 /nfs/dbraw/zinc/25/78/26/343257826.db2.gz UERRZQCPQRIPHN-UHFFFAOYSA-N 1 0 220.316 1.662 10 0 BDAERO CC(=O)Nc1ccc(SC[C@@H](O)C[NH3+])cc1 ZINC000019686823 187252614 /nfs/dbraw/zinc/25/26/14/187252614.db2.gz AZKDJQJRWYNIHW-JTQLQIEISA-N 1 0 240.328 1.057 10 0 BDAERO CC(C)([NH3+])C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000019672627 187252999 /nfs/dbraw/zinc/25/29/99/187252999.db2.gz WMCVIKJQAGJDPQ-UHFFFAOYSA-N 1 0 247.342 1.963 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1OCCN1CCNC1=O ZINC000019810856 187253060 /nfs/dbraw/zinc/25/30/60/187253060.db2.gz GMEKPJFBVZBXAT-SNVBAGLBSA-N 1 0 249.314 1.110 10 0 BDAERO C[C@H](NC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000037482124 187251874 /nfs/dbraw/zinc/25/18/74/187251874.db2.gz KHTAXZRXTWMQJD-PUSIOWJLSA-N 1 0 210.321 1.419 10 0 BDAERO CSCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000051993985 343281988 /nfs/dbraw/zinc/28/19/88/343281988.db2.gz YXTRHFBDRRRPQK-NXEZZACHSA-N 1 0 203.351 1.633 10 0 BDAERO O=C(C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000070266282 343319070 /nfs/dbraw/zinc/31/90/70/343319070.db2.gz JUFBDVDTVXDJCQ-LLVKDONJSA-N 1 0 208.305 1.093 10 0 BDAERO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000038011470 187254993 /nfs/dbraw/zinc/25/49/93/187254993.db2.gz JMJUBSSHUXGBFK-ADEWGFFLSA-N 1 0 203.289 1.772 10 0 BDAERO CC(C)N1CCCC2(CC[NH2+]CC2)C1=O ZINC000023508816 187255287 /nfs/dbraw/zinc/25/52/87/187255287.db2.gz IZLFXKYIEUQGJL-UHFFFAOYSA-N 1 0 210.321 1.387 10 0 BDAERO Cc1nc2ccccc2nc1N(C)CCC[NH3+] ZINC000052099338 343301488 /nfs/dbraw/zinc/30/14/88/343301488.db2.gz NBTXBXCECTUAPF-UHFFFAOYSA-N 1 0 230.315 1.723 10 0 BDAERO Cc1ccc(C)c(C[NH2+]CCN(C)C)c1 ZINC000035717310 343302481 /nfs/dbraw/zinc/30/24/81/343302481.db2.gz ZBABLSILZHZSRG-UHFFFAOYSA-N 1 0 206.333 1.955 10 0 BDAERO CC1CC(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)C1 ZINC000584047584 343306317 /nfs/dbraw/zinc/30/63/17/343306317.db2.gz UAOUWHXFYJTEMR-ZYLJPLBTSA-N 1 0 238.375 1.864 10 0 BDAERO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037889764 187253712 /nfs/dbraw/zinc/25/37/12/187253712.db2.gz VKFGRBJEVLHXAB-AVGNSLFASA-N 1 0 245.363 1.177 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CCCCC1 ZINC000335608340 136298672 /nfs/dbraw/zinc/29/86/72/136298672.db2.gz ZSFLCCNBDQVXOF-ONGXEEELSA-N 1 0 210.321 1.576 10 0 BDAERO C[C@@H]1CO[C@@H](c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000033465348 187256934 /nfs/dbraw/zinc/25/69/34/187256934.db2.gz VCYZLLDYPHQWCJ-NOZJJQNGSA-N 1 0 235.283 1.507 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccccc1 ZINC000038048854 343367653 /nfs/dbraw/zinc/36/76/53/343367653.db2.gz MGHXBZCCOMKWEG-RYUDHWBXSA-N 1 0 218.300 1.686 10 0 BDAERO Cc1cc(C)nc(N[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000038050771 343367793 /nfs/dbraw/zinc/36/77/93/343367793.db2.gz QBEAISVOZAHJNW-QWRGUYRKSA-N 1 0 220.320 1.775 10 0 BDAERO Cc1ccc(C)c(NC(=O)CC[NH3+])c1C ZINC000039245184 187255571 /nfs/dbraw/zinc/25/55/71/187255571.db2.gz RGNGWYIFCSKAKJ-UHFFFAOYSA-N 1 0 206.289 1.899 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](c2ccc3c(c2)OCCO3)O1 ZINC000033465355 187256203 /nfs/dbraw/zinc/25/62/03/187256203.db2.gz GXPDNSXEQCFCSH-TVQRCGJNSA-N 1 0 235.283 1.507 10 0 BDAERO CC(C)([NH3+])c1ccccc1S(C)(=O)=O ZINC000033487132 187256420 /nfs/dbraw/zinc/25/64/20/187256420.db2.gz FDZAPNYMBNSAEF-UHFFFAOYSA-N 1 0 213.302 1.284 10 0 BDAERO Cc1ccc(Cl)cc1NC[C@H](O)C[NH3+] ZINC000032013029 187256422 /nfs/dbraw/zinc/25/64/22/187256422.db2.gz WBYSSKRZPBMLEN-SECBINFHSA-N 1 0 214.696 1.380 10 0 BDAERO [NH3+]Cc1cccc(O[C@H]2CCCC[C@H]2O)c1 ZINC000037699128 187260259 /nfs/dbraw/zinc/26/02/59/187260259.db2.gz FEVSNXILCHOGTF-OLZOCXBDSA-N 1 0 221.300 1.828 10 0 BDAERO CCn1nc(C2=CCC[N@H+](C)C2)cc1C ZINC000036438743 187258658 /nfs/dbraw/zinc/25/86/58/187258658.db2.gz AIBQBFIMLPCRST-UHFFFAOYSA-N 1 0 205.305 1.930 10 0 BDAERO Cc1nn(C(C)C)c(C)c1NC(=O)CCC[NH3+] ZINC000037771067 187259812 /nfs/dbraw/zinc/25/98/12/187259812.db2.gz UVWMUBPSXVOWBN-UHFFFAOYSA-N 1 0 238.335 1.758 10 0 BDAERO COc1ccc([C@@]2(O)CCC[NH2+]C2)cc1 ZINC000071510478 187259931 /nfs/dbraw/zinc/25/99/31/187259931.db2.gz WJFQLBRFIBIDPC-GFCCVEGCSA-N 1 0 207.273 1.266 10 0 BDAERO CC(C)C[C@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000037769576 187260173 /nfs/dbraw/zinc/26/01/73/187260173.db2.gz RGVNZVSAVOUENA-JTQLQIEISA-N 1 0 246.314 1.875 10 0 BDAERO Cc1ccn(CC2CC[NH2+]CC2)c(=O)c1 ZINC000041630799 343422169 /nfs/dbraw/zinc/42/21/69/343422169.db2.gz NNOSZPOWCKQKAX-UHFFFAOYSA-N 1 0 206.289 1.156 10 0 BDAERO Cc1ccc(OCC[C@@H]([NH3+])CO)cc1C ZINC000071511952 187260397 /nfs/dbraw/zinc/26/03/97/187260397.db2.gz NMMNOXDMMYUKHU-LLVKDONJSA-N 1 0 209.289 1.392 10 0 BDAERO CO[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000148392720 343390903 /nfs/dbraw/zinc/39/09/03/343390903.db2.gz SXBFINKPTJKSJC-LBPRGKRZSA-N 1 0 206.289 1.064 10 0 BDAERO Cc1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000041045212 343413513 /nfs/dbraw/zinc/41/35/13/343413513.db2.gz PVHRKWHMCYONPU-VHSXEESVSA-N 1 0 206.293 1.467 10 0 BDAERO C[C@H]1COCCN1C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000335699524 136328127 /nfs/dbraw/zinc/32/81/27/136328127.db2.gz JISWKGGNJPLCTB-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO [NH3+][C@H]1COc2cccc(Br)c21 ZINC000238647444 259361826 /nfs/dbraw/zinc/36/18/26/259361826.db2.gz FDWXLXRSLLDBEX-LURJTMIESA-N 1 0 214.062 1.841 10 0 BDAERO NC(=O)c1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000075905576 187261418 /nfs/dbraw/zinc/26/14/18/187261418.db2.gz MFJKBSLXWOAIAF-LLVKDONJSA-N 1 0 204.273 1.600 10 0 BDAERO Cc1ccccc1C(C)(C)CNC(=O)C1C[NH2+]C1 ZINC000258732496 136373809 /nfs/dbraw/zinc/37/38/09/136373809.db2.gz OERQBDDYDMAQTD-UHFFFAOYSA-N 1 0 246.354 1.608 10 0 BDAERO C[C@@H](C[NH3+])CNc1nc2ccccc2o1 ZINC000083387659 343480001 /nfs/dbraw/zinc/48/00/01/343480001.db2.gz GSVBFJMXCZQXSO-QMMMGPOBSA-N 1 0 205.261 1.835 10 0 BDAERO CC[NH2+][C@H](C)CNc1cncc(OC(C)C)n1 ZINC000387608899 346942502 /nfs/dbraw/zinc/94/25/02/346942502.db2.gz YBAYYOUWQHJODU-SNVBAGLBSA-N 1 0 238.335 1.674 10 0 BDAERO CC[C@@](C)(O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000083463255 343486551 /nfs/dbraw/zinc/48/65/51/343486551.db2.gz FLPIPVVUPJLRGA-SRRSOLGSSA-N 1 0 227.348 1.551 10 0 BDAERO CCS(=O)(=O)c1ccc(C[NH3+])cc1C ZINC000158992769 346943237 /nfs/dbraw/zinc/94/32/37/346943237.db2.gz BKAXOIOHXLNYST-UHFFFAOYSA-N 1 0 213.302 1.247 10 0 BDAERO Cc1nsc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000083649154 343494126 /nfs/dbraw/zinc/49/41/26/343494126.db2.gz ODICVDRWJCRDQR-MRVPVSSYSA-N 1 0 214.338 1.632 10 0 BDAERO CCc1nsc(NCC[C@@H](C)[NH3+])n1 ZINC000083670501 343495093 /nfs/dbraw/zinc/49/50/93/343495093.db2.gz DUEMKESCLTZKNX-ZCFIWIBFSA-N 1 0 200.311 1.250 10 0 BDAERO COC1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000043220623 343466412 /nfs/dbraw/zinc/46/64/12/343466412.db2.gz ZIYOADOXUKBYLJ-UHFFFAOYSA-N 1 0 244.335 1.361 10 0 BDAERO CCc1nc(CC[NH2+]C[C@H](C)CC)no1 ZINC000308963070 346944116 /nfs/dbraw/zinc/94/41/16/346944116.db2.gz SORXIRLTYFUNHN-SECBINFHSA-N 1 0 211.309 1.810 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc(F)cc1Cl ZINC000044251149 343496547 /nfs/dbraw/zinc/49/65/47/343496547.db2.gz RKKBVCZMRYPTPC-QMMMGPOBSA-N 1 0 216.643 1.354 10 0 BDAERO CC(C)(C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000616604400 343519559 /nfs/dbraw/zinc/51/95/59/343519559.db2.gz NFWSMJVPWZEQCS-JTQLQIEISA-N 1 0 233.377 1.684 10 0 BDAERO CC[NH+](CC)C[C@@H]1COc2ccc(N)cc2O1 ZINC000217716063 343528266 /nfs/dbraw/zinc/52/82/66/343528266.db2.gz MCWFPBRQWRRICK-LLVKDONJSA-N 1 0 236.315 1.750 10 0 BDAERO CC(C)N1CCCOC[C@H]1c1cocn1 ZINC000616645359 343530583 /nfs/dbraw/zinc/53/05/83/343530583.db2.gz MYLFKNXDQYBLBY-NSHDSACASA-N 1 0 210.277 1.846 10 0 BDAERO CCOC(=O)[C@H]1C[N@@H+](C(C)C)CCCO1 ZINC000616653855 343532316 /nfs/dbraw/zinc/53/23/16/343532316.db2.gz WRWDALYIMOVMPU-SNVBAGLBSA-N 1 0 215.293 1.049 10 0 BDAERO CCOC(=O)c1cccc([C@@H]2CC[NH2+]CCO2)c1 ZINC000616664893 343533425 /nfs/dbraw/zinc/53/34/25/343533425.db2.gz DQXFJESAZOZVQG-ZDUSSCGKSA-N 1 0 249.310 1.914 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@H]1CCO ZINC000616671370 343534895 /nfs/dbraw/zinc/53/48/95/343534895.db2.gz UWGFIANQQWBXEX-LBPRGKRZSA-N 1 0 220.316 1.149 10 0 BDAERO Cn1cc(C[NH2+]CCOCCO)c2ccccc21 ZINC000045945049 343536200 /nfs/dbraw/zinc/53/62/00/343536200.db2.gz QUEFIQYBXZJIOB-UHFFFAOYSA-N 1 0 248.326 1.277 10 0 BDAERO N[C@H]([C@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000047845208 343566987 /nfs/dbraw/zinc/56/69/87/343566987.db2.gz VFHLHVFEVZICPZ-HTQZYQBOSA-N 1 0 204.195 1.576 10 0 BDAERO N[C@@H]([C@@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000047845202 343567037 /nfs/dbraw/zinc/56/70/37/343567037.db2.gz VFHLHVFEVZICPZ-YUMQZZPRSA-N 1 0 204.195 1.576 10 0 BDAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624235415 343578173 /nfs/dbraw/zinc/57/81/73/343578173.db2.gz JWHYCGUAACRUJJ-SRVKXCTJSA-N 1 0 215.337 1.551 10 0 BDAERO Fc1ccccc1[C@@H]1CC2(CC[NH2+]1)OCCO2 ZINC000041278235 187264896 /nfs/dbraw/zinc/26/48/96/187264896.db2.gz PUCLWZGGHMMRIE-LBPRGKRZSA-N 1 0 237.274 1.993 10 0 BDAERO CCc1ccc(OCCNC(=O)[C@@H](C)[NH3+])cc1 ZINC000041271080 187265255 /nfs/dbraw/zinc/26/52/55/187265255.db2.gz UVIGSCXDXMWVQT-SNVBAGLBSA-N 1 0 236.315 1.091 10 0 BDAERO CC(C)N(CCCO)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000042526370 187265364 /nfs/dbraw/zinc/26/53/64/187265364.db2.gz VDMOXCNIPIEVOV-RYUDHWBXSA-N 1 0 242.363 1.136 10 0 BDAERO CC(=O)CCCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000042438060 187265414 /nfs/dbraw/zinc/26/54/14/187265414.db2.gz BVYLBQLAAWFCFI-ZYHUDNBSSA-N 1 0 240.347 1.332 10 0 BDAERO Cc1ccc(C)c(CC[NH2+][C@@H](C)CO)c1 ZINC000082532902 187266601 /nfs/dbraw/zinc/26/66/01/187266601.db2.gz DHJKKSVKSSTJIU-LBPRGKRZSA-N 1 0 207.317 1.816 10 0 BDAERO CCN(CC)[C@@H](C)C[NH2+]C1CSC1 ZINC000388343117 537793532 /nfs/dbraw/zinc/79/35/32/537793532.db2.gz KPPAKVKYUJEFDV-VIFPVBQESA-N 1 0 202.367 1.422 10 0 BDAERO c1cc2c(s1)[C@@H]([C@H]1CCOC1)[NH2+]CC2 ZINC000712581987 537795111 /nfs/dbraw/zinc/79/51/11/537795111.db2.gz QWRCRVCEHQTNLN-VHSXEESVSA-N 1 0 209.314 1.971 10 0 BDAERO CCC[N@@H+](CC(=O)OC)C[C@H]1CCC[C@H](O)C1 ZINC000380045219 343672576 /nfs/dbraw/zinc/67/25/76/343672576.db2.gz KJZDEZSDODXDSD-RYUDHWBXSA-N 1 0 243.347 1.423 10 0 BDAERO CC(C)(C[NH3+])C(=O)Nc1cc(F)ccc1F ZINC000044751428 187268736 /nfs/dbraw/zinc/26/87/36/187268736.db2.gz OCKKPKBZGUPCLX-UHFFFAOYSA-N 1 0 228.242 1.888 10 0 BDAERO COc1ccc2c(c1)CC[NH2+][C@H]2CN(C)C ZINC000083665872 343653223 /nfs/dbraw/zinc/65/32/23/343653223.db2.gz APVVJXRURDLQPA-ZDUSSCGKSA-N 1 0 220.316 1.444 10 0 BDAERO Cc1cccc2[nH]c([C@@H](C)N3CC[NH2+]CC3)nc21 ZINC000051640079 187271030 /nfs/dbraw/zinc/27/10/30/187271030.db2.gz NNFJVVAGHPSLLZ-LLVKDONJSA-N 1 0 244.342 1.838 10 0 BDAERO C[C@@H]1C[NH2+][C@H](C)CCN(c2cccnc2)C1 ZINC000049662989 187270425 /nfs/dbraw/zinc/27/04/25/187270425.db2.gz MAKZQLFUWUHFJI-VXGBXAGGSA-N 1 0 219.332 1.906 10 0 BDAERO CC(C)[C@H](C)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000049643719 187270556 /nfs/dbraw/zinc/27/05/56/187270556.db2.gz NDNLOZWZNHYPQI-JTQLQIEISA-N 1 0 248.392 1.045 10 0 BDAERO C[C@@H]1COC[C@@H](CC(=O)c2ccco2)[NH2+]1 ZINC000124431625 537805462 /nfs/dbraw/zinc/80/54/62/537805462.db2.gz VHCIVBVPEPVIPR-RKDXNWHRSA-N 1 0 209.245 1.229 10 0 BDAERO CS[C@H](C)CNC(=O)C1CCC([NH3+])CC1 ZINC000083944666 343687430 /nfs/dbraw/zinc/68/74/30/343687430.db2.gz LAVFAMVNNXTATD-XNWIYYODSA-N 1 0 230.377 1.372 10 0 BDAERO C[C@H]1CC[N@H+](C[Si](C)(C)C)C[C@@H]1N ZINC000401834542 343736039 /nfs/dbraw/zinc/73/60/39/343736039.db2.gz DKGROMFQRKJBTK-UWVGGRQHSA-N 1 0 200.402 1.533 10 0 BDAERO Cc1cc(N)cnc1OCC[NH+]1CCCC1 ZINC000052813744 187271700 /nfs/dbraw/zinc/27/17/00/187271700.db2.gz LYRUWXDCAMBIAD-UHFFFAOYSA-N 1 0 221.304 1.447 10 0 BDAERO [NH3+][C@H](CCSCCO)c1ccccc1 ZINC000059834985 343713716 /nfs/dbraw/zinc/71/37/16/343713716.db2.gz XNFUCLBLFWPNLZ-LLVKDONJSA-N 1 0 211.330 1.802 10 0 BDAERO C[C@]([NH3+])(C(=O)N[C@@H]1CC1(C)C)c1ccccc1 ZINC000052883050 187271294 /nfs/dbraw/zinc/27/12/94/187271294.db2.gz VBUIVOHSWWTWHR-BXUZGUMPSA-N 1 0 232.327 1.775 10 0 BDAERO COc1cccc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000309071342 346961418 /nfs/dbraw/zinc/96/14/18/346961418.db2.gz DLACOFPXWXBIDE-CMPLNLGQSA-N 1 0 207.273 1.166 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)CSC ZINC000187885166 259370247 /nfs/dbraw/zinc/37/02/47/259370247.db2.gz MGCHUXBRAOWXIT-RYUDHWBXSA-N 1 0 246.420 1.126 10 0 BDAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1C)C(N)=O ZINC000061677069 343728003 /nfs/dbraw/zinc/72/80/03/343728003.db2.gz STWXCJXNMMLRBT-CMPLNLGQSA-N 1 0 220.316 1.910 10 0 BDAERO CCn1c2cc(F)ccc2nc1[C@@H]([NH3+])[C@@H](C)O ZINC000052124703 187271441 /nfs/dbraw/zinc/27/14/41/187271441.db2.gz KKUYLLUYZISIMF-HQJQHLMTSA-N 1 0 237.278 1.576 10 0 BDAERO Cc1ccc(CCC(=O)N[C@H]2C[C@@H]2[NH3+])cc1 ZINC000052946084 187271448 /nfs/dbraw/zinc/27/14/48/187271448.db2.gz PCSWKXLDWVOIQC-RYUDHWBXSA-N 1 0 218.300 1.143 10 0 BDAERO CCNC(=[NH2+])N1CCSC(C)(C)C1 ZINC000135080531 343747654 /nfs/dbraw/zinc/74/76/54/343747654.db2.gz ITHOUJJWQPTLNW-UHFFFAOYSA-N 1 0 201.339 1.358 10 0 BDAERO COc1ccc([C@@]2(C)C[C@H]2C[NH3+])c(OC)c1 ZINC000054588047 187272556 /nfs/dbraw/zinc/27/25/56/187272556.db2.gz MKASIMAUQIDLMH-ZANVPECISA-N 1 0 221.300 1.940 10 0 BDAERO Cc1nn(CC(F)F)c(C)c1[C@@H](C)[NH3+] ZINC000054716399 343750220 /nfs/dbraw/zinc/75/02/20/343750220.db2.gz YTMQMMQTQUAYRI-RXMQYKEDSA-N 1 0 203.236 1.785 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1c1ccccc1C(N)=O ZINC000616613448 349861432 /nfs/dbraw/zinc/86/14/32/349861432.db2.gz YXWNARYTPVXAFG-GFCCVEGCSA-N 1 0 218.300 1.942 10 0 BDAERO C[C@H](Cl)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038100658 343783448 /nfs/dbraw/zinc/78/34/48/343783448.db2.gz NSADWINGLIDCQE-JTQLQIEISA-N 1 0 244.766 1.701 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1CC=C(c2ccccc2)CC1 ZINC000037804734 343783534 /nfs/dbraw/zinc/78/35/34/343783534.db2.gz MGBYBTWZBVJDSG-LLVKDONJSA-N 1 0 230.311 1.650 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000109498335 343786199 /nfs/dbraw/zinc/78/61/99/343786199.db2.gz OEMVBUQHCPUZTA-MNOVXSKESA-N 1 0 244.298 1.987 10 0 BDAERO CNc1cc(NCCCOC)nc(C2CC2)[nH+]1 ZINC000126924901 343787782 /nfs/dbraw/zinc/78/77/82/343787782.db2.gz ZUYSLECCRPXBKR-UHFFFAOYSA-N 1 0 236.319 1.844 10 0 BDAERO CC(=O)N1CCCc2c(C[NH3+])cccc21 ZINC000082639553 537814092 /nfs/dbraw/zinc/81/40/92/537814092.db2.gz QNQFNQKXEKDJHX-UHFFFAOYSA-N 1 0 204.273 1.444 10 0 BDAERO Cn1nc([C@@H]2CCC[NH2+]C2)c2c1CCCC2 ZINC000215731323 343792675 /nfs/dbraw/zinc/79/26/75/343792675.db2.gz IWSNALTULJAEQP-SNVBAGLBSA-N 1 0 219.332 1.766 10 0 BDAERO C[NH2+]CCc1cn(C)nc1-c1ccccn1 ZINC000221126571 343793203 /nfs/dbraw/zinc/79/32/03/343793203.db2.gz DKTCFWSITOGJLE-UHFFFAOYSA-N 1 0 216.288 1.244 10 0 BDAERO [NH3+]CCOc1cc(N2CCCCCC2)ncn1 ZINC000409427179 343800225 /nfs/dbraw/zinc/80/02/25/343800225.db2.gz HVAPVTUXPVCEKW-UHFFFAOYSA-N 1 0 236.319 1.195 10 0 BDAERO CCC[N@@H+]1CCC[C@@H](n2cc(C=O)nn2)C1 ZINC000409423780 343816282 /nfs/dbraw/zinc/81/62/82/343816282.db2.gz CZQZFMIGXDINLA-LLVKDONJSA-N 1 0 222.292 1.138 10 0 BDAERO COC[C@H]1C[N@H+](CCN)CC12CCCC2 ZINC000409432696 343827725 /nfs/dbraw/zinc/82/77/25/343827725.db2.gz LQWMOVAYDAUPTM-LLVKDONJSA-N 1 0 212.337 1.084 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC000062983250 349869293 /nfs/dbraw/zinc/86/92/93/349869293.db2.gz KAZUMNMMCSVCGS-MRVPVSSYSA-N 1 0 226.711 1.270 10 0 BDAERO CC(C)C[N@@H+]1CCC[C@@H](n2cc(C=O)nn2)C1 ZINC000409424791 343817851 /nfs/dbraw/zinc/81/78/51/343817851.db2.gz IGLNKMYUXRSPKP-GFCCVEGCSA-N 1 0 236.319 1.384 10 0 BDAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H](C(F)F)C1 ZINC000409425450 343819324 /nfs/dbraw/zinc/81/93/24/343819324.db2.gz FWVVXMDLGBGZQS-RKDXNWHRSA-N 1 0 232.274 1.242 10 0 BDAERO [NH3+]C[C@@H]1CN(Cc2ccccc2)C(=O)C1(F)F ZINC000409432907 343827899 /nfs/dbraw/zinc/82/78/99/343827899.db2.gz PLGCAHPUBXGWDK-SNVBAGLBSA-N 1 0 240.253 1.239 10 0 BDAERO CC(F)(F)C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000409432437 343826629 /nfs/dbraw/zinc/82/66/29/343826629.db2.gz VLPWITFTOIIPJH-UHFFFAOYSA-N 1 0 232.274 1.100 10 0 BDAERO CCCn1cccc1C(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000071312521 187275608 /nfs/dbraw/zinc/27/56/08/187275608.db2.gz VGPFENCTECPFAT-GFCCVEGCSA-N 1 0 249.358 1.722 10 0 BDAERO COC[C@H]1CN(C(N)=[NH2+])CC12CCCCC2 ZINC000409432668 343827101 /nfs/dbraw/zinc/82/71/01/343827101.db2.gz LNSLZYOACFAKSG-SNVBAGLBSA-N 1 0 225.336 1.409 10 0 BDAERO FC(F)(F)c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084505 187274131 /nfs/dbraw/zinc/27/41/31/187274131.db2.gz SSBWGUOZGBFHDO-LURJTMIESA-N 1 0 235.209 1.631 10 0 BDAERO [NH3+]Cc1ncn2c1CO[C@@H](c1ccccc1)C2 ZINC000409430860 343809030 /nfs/dbraw/zinc/80/90/30/343809030.db2.gz WYHLFETXKTYBMD-CYBMUJFWSA-N 1 0 229.283 1.613 10 0 BDAERO c1nc(SCC2CC2)nc2c1C[NH2+]CC2 ZINC000400983947 343811474 /nfs/dbraw/zinc/81/14/74/343811474.db2.gz UCQUPUGFLUERKD-UHFFFAOYSA-N 1 0 221.329 1.624 10 0 BDAERO Cn1cc(CC(N)=[NH2+])c(-c2ccsc2)n1 ZINC000409440778 343852920 /nfs/dbraw/zinc/85/29/20/343852920.db2.gz UVDCBSYFEIMDBS-UHFFFAOYSA-N 1 0 220.301 1.627 10 0 BDAERO [NH3+]CCn1nc(-c2cccnc2)cc1C1CC1 ZINC000409439921 343853409 /nfs/dbraw/zinc/85/34/09/343853409.db2.gz KWABRCWXSNQTSV-UHFFFAOYSA-N 1 0 228.299 1.781 10 0 BDAERO Nc1cc(C2CC2)nn1C[C@H]1CCC[NH2+]C1 ZINC000409440002 343854028 /nfs/dbraw/zinc/85/40/28/343854028.db2.gz RFCGXOVDIZOVJP-VIFPVBQESA-N 1 0 220.320 1.342 10 0 BDAERO CCn1nc(-c2cnccn2)c2c1CC[NH2+]C2 ZINC000409439968 343854123 /nfs/dbraw/zinc/85/41/23/343854123.db2.gz RBNADZVCKPAUAA-UHFFFAOYSA-N 1 0 229.287 1.006 10 0 BDAERO NC(=[NH2+])c1cnn2ccn(CC3CCC3)c12 ZINC000409439975 343854128 /nfs/dbraw/zinc/85/41/28/343854128.db2.gz URXBRBRTUDOHEH-UHFFFAOYSA-N 1 0 217.276 1.220 10 0 BDAERO Cc1[nH]nc(C2CCC2)c1CCC(N)=[NH2+] ZINC000409441068 343854965 /nfs/dbraw/zinc/85/49/65/343854965.db2.gz PWFLDWOXJSKYDL-UHFFFAOYSA-N 1 0 206.293 1.854 10 0 BDAERO COc1ccc(C[C@@H]2C[NH2+]CCC2=O)cc1F ZINC000071547651 187276001 /nfs/dbraw/zinc/27/60/01/187276001.db2.gz NGZPHBNXXQDFIH-SNVBAGLBSA-N 1 0 237.274 1.555 10 0 BDAERO COCc1ccc2c(c1)CCN2CCC[NH3+] ZINC000409435905 343840822 /nfs/dbraw/zinc/84/08/22/343840822.db2.gz XFQPEPIFKOGTOW-UHFFFAOYSA-N 1 0 220.316 1.544 10 0 BDAERO [NH3+]CCn1ccn2nc(-c3ccco3)cc12 ZINC000409437020 343841766 /nfs/dbraw/zinc/84/17/66/343841766.db2.gz BHYIJRFTIJEQLY-UHFFFAOYSA-N 1 0 216.244 1.355 10 0 BDAERO [NH3+]CCn1nc(-c2cnccn2)cc1C1CC1 ZINC000409441957 343856911 /nfs/dbraw/zinc/85/69/11/343856911.db2.gz VOQQAXRBKGBGIG-UHFFFAOYSA-N 1 0 229.287 1.176 10 0 BDAERO CN1C(=O)[C@H]([NH3+])C[C@@H]1c1cccc(Cl)c1 ZINC000409439292 343846946 /nfs/dbraw/zinc/84/69/46/343846946.db2.gz GPKNBNHORLNGTM-NXEZZACHSA-N 1 0 224.691 1.571 10 0 BDAERO [NH3+]Cc1c(C2CC2)nn2ccn(CC3CC3)c12 ZINC000409439539 343847613 /nfs/dbraw/zinc/84/76/13/343847613.db2.gz RWXYPRDOOVJIRY-UHFFFAOYSA-N 1 0 230.315 1.882 10 0 BDAERO Nc1cc(C2CC2)nn1C[C@H]1CCCC[NH2+]1 ZINC000409439579 343847889 /nfs/dbraw/zinc/84/78/89/343847889.db2.gz PUFNMJOTYQVQRG-SNVBAGLBSA-N 1 0 220.320 1.485 10 0 BDAERO NC(=[NH2+])Cn1ccn2nc(-c3cccs3)cc12 ZINC000409437675 343848488 /nfs/dbraw/zinc/84/84/88/343848488.db2.gz IFCIKRHVYGXMRO-UHFFFAOYSA-N 1 0 245.311 1.800 10 0 BDAERO [NH3+]CCc1c(-c2ccncc2)n[nH]c1C1CC1 ZINC000409437874 343849318 /nfs/dbraw/zinc/84/93/18/343849318.db2.gz ATHBBQKZRDVUPT-UHFFFAOYSA-N 1 0 228.299 1.850 10 0 BDAERO CN1C(=O)[C@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000409441880 343861856 /nfs/dbraw/zinc/86/18/56/343861856.db2.gz RYFGQDWZDSIGLR-ZJUUUORDSA-N 1 0 208.236 1.056 10 0 BDAERO CC(C)Cn1nc([C@@H]2CCCC[NH2+]2)cc1CO ZINC000409443683 343862242 /nfs/dbraw/zinc/86/22/42/343862242.db2.gz RLHFBXPNYFHBHX-LBPRGKRZSA-N 1 0 237.347 1.846 10 0 BDAERO CCn1nc([C@@H]2CCCC[NH2+]2)cc1CO ZINC000409443927 343863425 /nfs/dbraw/zinc/86/34/25/343863425.db2.gz WUCXMDNPJMETRP-JTQLQIEISA-N 1 0 209.293 1.210 10 0 BDAERO COCCn1nc(-c2ccsc2)cc1C[NH3+] ZINC000409444021 343863531 /nfs/dbraw/zinc/86/35/31/343863531.db2.gz YXQYZUHQOXCTSW-UHFFFAOYSA-N 1 0 237.328 1.717 10 0 BDAERO c1ccn([C@H](c2noc(C3C[NH2+]C3)n2)C2CC2)c1 ZINC000409442685 343863912 /nfs/dbraw/zinc/86/39/12/343863912.db2.gz ZFCJLVMQFLMLND-NSHDSACASA-N 1 0 244.298 1.557 10 0 BDAERO COCCn1nc(-c2ccccn2)cc1C[NH3+] ZINC000409442989 343864952 /nfs/dbraw/zinc/86/49/52/343864952.db2.gz FFVHAGNMGOOPAR-UHFFFAOYSA-N 1 0 232.287 1.050 10 0 BDAERO O=[N+]([O-])c1ccsc1NCC[NH2+]C1CC1 ZINC000393612497 343900527 /nfs/dbraw/zinc/90/05/27/343900527.db2.gz YDAXYMBLRXYHGK-UHFFFAOYSA-N 1 0 227.289 1.820 10 0 BDAERO c1cn2c(n1)CC[C@H]([NH2+]Cc1cscn1)C2 ZINC000309613566 343936740 /nfs/dbraw/zinc/93/67/40/343936740.db2.gz NFJFKRQXAJDZLV-VIFPVBQESA-N 1 0 234.328 1.444 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCCN(c2nncs2)C1 ZINC000069967622 343945010 /nfs/dbraw/zinc/94/50/10/343945010.db2.gz KLTVRVNAJIHMDW-YUMQZZPRSA-N 1 0 212.322 1.102 10 0 BDAERO CCC[C@@H](CCO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723655 343920610 /nfs/dbraw/zinc/92/06/10/343920610.db2.gz ADOLEXFDDCOLJR-QJPTWQEYSA-N 1 0 215.337 1.431 10 0 BDAERO C[C@@H](CC[NH3+])c1c(Br)nnn1C ZINC000216866680 343924623 /nfs/dbraw/zinc/92/46/23/343924623.db2.gz FJBXSYCNPWSABO-YFKPBYRVSA-N 1 0 233.113 1.030 10 0 BDAERO Cc1ccc(OCCN(C)CC[NH3+])cc1C ZINC000077334436 187280010 /nfs/dbraw/zinc/28/00/10/187280010.db2.gz MKFRFZQKZRABOF-UHFFFAOYSA-N 1 0 222.332 1.573 10 0 BDAERO C[NH2+][C@@H]1CCN([C@@H]2CCS[C@@H]2C)C1 ZINC000234463689 343971391 /nfs/dbraw/zinc/97/13/91/343971391.db2.gz ZYTKBFURDCHCKB-OPRDCNLKSA-N 1 0 200.351 1.174 10 0 BDAERO O=C(c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000036158739 343953076 /nfs/dbraw/zinc/95/30/76/343953076.db2.gz MAWXECUBJCDNHD-JTQLQIEISA-N 1 0 211.211 1.900 10 0 BDAERO Cc1ccn([C@@H]([C@H](C)[NH3+])C(F)(F)F)n1 ZINC000070629252 343953358 /nfs/dbraw/zinc/95/33/58/343953358.db2.gz FGDZXDGAHXRYNF-BQBZGAKWSA-N 1 0 207.199 1.642 10 0 BDAERO C[C@@H]1SCC[C@@]1(C[NH3+])NCc1ccccc1 ZINC000235338274 343957911 /nfs/dbraw/zinc/95/79/11/343957911.db2.gz SKDRZRUXEVYVDO-AAEUAGOBSA-N 1 0 236.384 1.999 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000092785422 343960874 /nfs/dbraw/zinc/96/08/74/343960874.db2.gz CYIMVBJWKGEEEZ-NSHDSACASA-N 1 0 209.293 1.147 10 0 BDAERO Brc1cccc(NC2=[NH+]CCN2)c1 ZINC000165686986 343963626 /nfs/dbraw/zinc/96/36/26/343963626.db2.gz IUKIYPQNGPKAIC-UHFFFAOYSA-N 1 0 240.104 1.820 10 0 BDAERO C[NH2+][C@@H](C=C(C)C)[C@H]1CSCCN1C ZINC000234428342 343965843 /nfs/dbraw/zinc/96/58/43/343965843.db2.gz FTVLXXIBOGQCBL-WDEREUQCSA-N 1 0 214.378 1.588 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000135200083 343967048 /nfs/dbraw/zinc/96/70/48/343967048.db2.gz UAJAFEGHWSFKMT-VGMNWLOBSA-N 1 0 200.351 1.639 10 0 BDAERO CC(=O)[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000135214794 343968488 /nfs/dbraw/zinc/96/84/88/343968488.db2.gz QXZXVJLRKZQWNS-QMMMGPOBSA-N 1 0 201.335 1.791 10 0 BDAERO [NH3+]C[C@H](O)Cc1cccc(F)c1Br ZINC000157862793 344055824 /nfs/dbraw/zinc/05/58/24/344055824.db2.gz YREDSYLTNWHWGT-SSDOTTSWSA-N 1 0 248.095 1.450 10 0 BDAERO CC(C)(O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625774434 344070163 /nfs/dbraw/zinc/07/01/63/344070163.db2.gz FIUGCMIHWCXZOK-ZJUUUORDSA-N 1 0 215.362 1.727 10 0 BDAERO CSc1nccc(N(C)C[C@H]2CCC[NH2+]2)n1 ZINC000095071836 187286422 /nfs/dbraw/zinc/28/64/22/187286422.db2.gz PVWWEKDRLUWNMS-SECBINFHSA-N 1 0 238.360 1.387 10 0 BDAERO CSc1nccc(N2CCC[C@H]2C[NH3+])n1 ZINC000095071848 187286686 /nfs/dbraw/zinc/28/66/86/187286686.db2.gz FGEKMMPLPKRVDW-QMMMGPOBSA-N 1 0 224.333 1.126 10 0 BDAERO COc1ccc(CCn2cnc(CC[NH3+])c2)cc1 ZINC000094529522 187286744 /nfs/dbraw/zinc/28/67/44/187286744.db2.gz RFLLQHZITGCUGX-UHFFFAOYSA-N 1 0 245.326 1.636 10 0 BDAERO CC(=O)N(C[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095082786 187286953 /nfs/dbraw/zinc/28/69/53/187286953.db2.gz HJTZPFSKQPPWNU-QMMMGPOBSA-N 1 0 224.226 1.354 10 0 BDAERO [NH3+][C@H](c1ccc(Cl)cc1)C1C=CC(=O)O1 ZINC000209383303 344109771 /nfs/dbraw/zinc/10/97/71/344109771.db2.gz MYODXULLYHGXCK-MWLCHTKSSA-N 1 0 223.659 1.821 10 0 BDAERO CC[C@@H](C)[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634745503 344168877 /nfs/dbraw/zinc/16/88/77/344168877.db2.gz KBHQULNHWHVEOS-UHXUPSOCSA-N 1 0 238.375 1.927 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCCC1 ZINC000616569061 344169778 /nfs/dbraw/zinc/16/97/78/344169778.db2.gz FZACUGNNOVIJKZ-CMPLNLGQSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CC1 ZINC000616569248 344170002 /nfs/dbraw/zinc/17/00/02/344170002.db2.gz HPDVFNIRWOJWLH-NWDGAFQWSA-N 1 0 224.348 1.537 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCCC(F)(F)CC1 ZINC000634737646 344136025 /nfs/dbraw/zinc/13/60/25/344136025.db2.gz WJHCFHFHRQRECG-SECBINFHSA-N 1 0 234.290 1.762 10 0 BDAERO Cc1cc(C(C)C)nc(N(C)C2CC([NH3+])C2)n1 ZINC000384805120 344162538 /nfs/dbraw/zinc/16/25/38/344162538.db2.gz ZGRFYTJIGAIEHB-UHFFFAOYSA-N 1 0 234.347 1.834 10 0 BDAERO C/C=C\C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000384888962 344208939 /nfs/dbraw/zinc/20/89/39/344208939.db2.gz SUPWCHZEYPWPLX-OTDNITJGSA-N 1 0 225.288 1.323 10 0 BDAERO CC[C@H]1CCN(C(=O)CC2CC2)C[C@@H]1[NH3+] ZINC000616573012 344184193 /nfs/dbraw/zinc/18/41/93/344184193.db2.gz YKZGQIPHHZVJCE-QWRGUYRKSA-N 1 0 210.321 1.372 10 0 BDAERO [NH3+][C@@H]1CN(C(=O)C2CC2)CC[C@H]1C(F)(F)F ZINC000616573099 344184266 /nfs/dbraw/zinc/18/42/66/344184266.db2.gz WWYKGMVETCRRAR-HTQZYQBOSA-N 1 0 236.237 1.135 10 0 BDAERO [NH3+][C@@H]1CN(C(=O)C2CC2)CC[C@H]1c1ccccc1 ZINC000616573202 344184735 /nfs/dbraw/zinc/18/47/35/344184735.db2.gz YYCVEJBJMOJUHI-UONOGXRCSA-N 1 0 244.338 1.740 10 0 BDAERO CSC[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000127584474 344200723 /nfs/dbraw/zinc/20/07/23/344200723.db2.gz LDWYPTCBKIANKD-ZJUUUORDSA-N 1 0 230.377 1.244 10 0 BDAERO CC(=O)N[C@H]1c2cccc(F)c2[C@H]2C[N@H+](C)C[C@@H]12 ZINC000097954943 187289778 /nfs/dbraw/zinc/28/97/78/187289778.db2.gz ALYLSJJLCMZMAI-WDMOLILDSA-N 1 0 248.301 1.662 10 0 BDAERO CC(C)(O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634753121 344204906 /nfs/dbraw/zinc/20/49/06/344204906.db2.gz YOTCLTJHSHLPFI-MRVPVSSYSA-N 1 0 223.263 1.113 10 0 BDAERO CC1(C)C[C@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 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O=C(N[C@@H]1CC12CC2)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770876 344285735 /nfs/dbraw/zinc/28/57/35/344285735.db2.gz AAVSLSAPLWQKFU-CWSCBRNRSA-N 1 0 220.316 1.045 10 0 BDAERO CCCc1nsc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385019273 344295285 /nfs/dbraw/zinc/29/52/85/344295285.db2.gz WNJZSIDEALDGKR-JGVFFNPUSA-N 1 0 226.349 1.417 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634779612 344312236 /nfs/dbraw/zinc/31/22/36/344312236.db2.gz XBZPPRFTXDRTOZ-WUHRBBMRSA-N 1 0 225.332 1.116 10 0 BDAERO Cc1noc(C)c1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247557835 344324393 /nfs/dbraw/zinc/32/43/93/344324393.db2.gz ZTZQJLZOYYUVNY-MFKMUULPSA-N 1 0 249.358 1.960 10 0 BDAERO CC[N@@H+]1CCC[C@H](CNC(F)(F)F)C1 ZINC000095091336 344332878 /nfs/dbraw/zinc/33/28/78/344332878.db2.gz RWQVWLRGFHOXIB-MRVPVSSYSA-N 1 0 210.243 1.828 10 0 BDAERO CCc1ncnc(N2C[C@@H]([NH3+])C[C@H]2C)c1F ZINC000385128300 344333962 /nfs/dbraw/zinc/33/39/62/344333962.db2.gz XSJWBXPUMZIBST-SFYZADRCSA-N 1 0 224.283 1.104 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncnc2ccsc21 ZINC000385158059 344355794 /nfs/dbraw/zinc/35/57/94/344355794.db2.gz AKIGAEWWAZXGRW-JGVFFNPUSA-N 1 0 234.328 1.617 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(OC(F)F)cn1 ZINC000385145651 344355930 /nfs/dbraw/zinc/35/59/30/344355930.db2.gz NWLUGXCWNQHAGJ-SFYZADRCSA-N 1 0 243.257 1.609 10 0 BDAERO [NH3+]C1CC(Nc2cccnc2Br)C1 ZINC000236171850 344306724 /nfs/dbraw/zinc/30/67/24/344306724.db2.gz YCXXQDDBJBNIAX-UHFFFAOYSA-N 1 0 242.120 1.746 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1nc2ccccc2o1 ZINC000385198644 344371494 /nfs/dbraw/zinc/37/14/94/344371494.db2.gz PXPZMLKYHWCCAO-BDAKNGLRSA-N 1 0 217.272 1.754 10 0 BDAERO O=S1CCC([NH2+][C@@H]2C=CCCC2)CC1 ZINC000236416881 344373316 /nfs/dbraw/zinc/37/33/16/344373316.db2.gz ORRKRLWGPGOKFS-CDWSIMAYSA-N 1 0 213.346 1.596 10 0 BDAERO C[C@@H]1C[NH2+]CCN(C/C(Cl)=C\Cl)C1 ZINC000385215281 344377483 /nfs/dbraw/zinc/37/74/83/344377483.db2.gz BTOSQQMAJBKPIL-SXPLAPADSA-N 1 0 223.147 1.847 10 0 BDAERO Cc1csc2c1ncnc2N1C[C@H]([NH3+])C[C@@H]1C ZINC000385225808 344378352 /nfs/dbraw/zinc/37/83/52/344378352.db2.gz HYMQTUFPVCFBSB-DTWKUNHWSA-N 1 0 248.355 1.926 10 0 BDAERO CC[C@@](O)(c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000238300122 344384641 /nfs/dbraw/zinc/38/46/41/344384641.db2.gz DIAVOCCGZXPLMO-QWHCGFSZSA-N 1 0 205.301 1.894 10 0 BDAERO CCc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000634812121 344397352 /nfs/dbraw/zinc/39/73/52/344397352.db2.gz ALLMMYZRLADTTQ-NXEZZACHSA-N 1 0 220.320 1.070 10 0 BDAERO Cc1occc1C(=O)N(CC[NH3+])C1CC1 ZINC000041056749 187290986 /nfs/dbraw/zinc/29/09/86/187290986.db2.gz ULJWSCUMOGQUPD-UHFFFAOYSA-N 1 0 208.261 1.151 10 0 BDAERO N#Cc1ccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000380999413 344467739 /nfs/dbraw/zinc/46/77/39/344467739.db2.gz HNJLTGFVAMUWTN-FZMZJTMJSA-N 1 0 242.326 1.518 10 0 BDAERO F[C@@]1(Cc2nccs2)CCC[NH2+]C1 ZINC000158085995 344476049 /nfs/dbraw/zinc/47/60/49/344476049.db2.gz LBAMZQPXAQZASR-SECBINFHSA-N 1 0 200.282 1.777 10 0 BDAERO 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CC[C@@](C)(O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005145 344667165 /nfs/dbraw/zinc/66/71/65/344667165.db2.gz XAAQUUPJOGWYRH-GHMZBOCLSA-N 1 0 219.300 1.208 10 0 BDAERO C[C@H]1C[C@H](Nc2ncns2)CC[N@@H+]1C ZINC000158509403 344669053 /nfs/dbraw/zinc/66/90/53/344669053.db2.gz KWYWYQJXWADMBK-JGVFFNPUSA-N 1 0 212.322 1.433 10 0 BDAERO FC(F)(F)C(F)(F)CN1CC[NH2+]CC1 ZINC000052860968 344671867 /nfs/dbraw/zinc/67/18/67/344671867.db2.gz ZNOAQCKGNGLEIW-UHFFFAOYSA-N 1 0 218.169 1.089 10 0 BDAERO C([C@@H]1CCCOC1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000104305814 187292301 /nfs/dbraw/zinc/29/23/01/187292301.db2.gz SZLUXKUCSLNACG-MELADBBJSA-N 1 0 238.375 1.629 10 0 BDAERO CC[C@H]([NH3+])Cc1nc2cccnc2s1 ZINC000127748257 344639422 /nfs/dbraw/zinc/63/94/22/344639422.db2.gz WFOUORDFKHLVIM-ZETCQYMHSA-N 1 0 207.302 1.971 10 0 BDAERO CCCC[C@@H](C[NH3+])NC(=O)C1CC(C)C1 ZINC000309464337 347069028 /nfs/dbraw/zinc/06/90/28/347069028.db2.gz PNDNKVYZPQPQEB-ILDUYXDCSA-N 1 0 212.337 1.666 10 0 BDAERO Cc1nnc(NC[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000227642754 344710015 /nfs/dbraw/zinc/71/00/15/344710015.db2.gz MQNCBWNLRBIUMZ-SFYZADRCSA-N 1 0 212.322 1.386 10 0 BDAERO CS[C@@H]1CC[C@@H](NC2=[NH+]CCS2)C1 ZINC000235069750 344757222 /nfs/dbraw/zinc/75/72/22/344757222.db2.gz XGNOAZMGORAGIU-HTQZYQBOSA-N 1 0 216.375 1.963 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(C)=O ZINC000075070021 344764806 /nfs/dbraw/zinc/76/48/06/344764806.db2.gz XVWBRTFVSZSJFZ-NSHDSACASA-N 1 0 220.272 1.452 10 0 BDAERO CC(C)[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261656818 534965101 /nfs/dbraw/zinc/96/51/01/534965101.db2.gz AFEBCWOFGUYGEG-GARJFASQSA-N 1 0 212.337 1.665 10 0 BDAERO c1nc2c([nH]1)[C@]1(CCC[C@@H]3C[C@@H]31)[NH2+]CC2 ZINC000400412220 537856663 /nfs/dbraw/zinc/85/66/63/537856663.db2.gz YVFHLOJXXIXSAV-VDDIYKPWSA-N 1 0 203.289 1.571 10 0 BDAERO COc1ccc(OC[C@H]2CCC[NH2+]2)cc1 ZINC000043496506 187293173 /nfs/dbraw/zinc/29/31/73/187293173.db2.gz ZDGPHBGOGATCGZ-SNVBAGLBSA-N 1 0 207.273 1.826 10 0 BDAERO C[C@H]([NH3+])CCNc1nc(C2CC2)ns1 ZINC000083670514 133529238 /nfs/dbraw/zinc/52/92/38/133529238.db2.gz NKTCPAYOACAPAN-LURJTMIESA-N 1 0 212.322 1.565 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1ncnc2sccc21 ZINC000381830937 344800383 /nfs/dbraw/zinc/80/03/83/344800383.db2.gz XKAJVIDHKDKGAQ-BQBZGAKWSA-N 1 0 222.317 1.839 10 0 BDAERO Cc1cc(C[NH2+]C[C@H]2CCC(=O)N2)ccc1F ZINC000070210860 537862230 /nfs/dbraw/zinc/86/22/30/537862230.db2.gz HQMOOBOBUNRQPV-LLVKDONJSA-N 1 0 236.290 1.502 10 0 BDAERO Brc1ccsc1COC1C[NH2+]C1 ZINC000062809978 347082342 /nfs/dbraw/zinc/08/23/42/347082342.db2.gz NLTHGDGARNVHMC-UHFFFAOYSA-N 1 0 248.145 1.999 10 0 BDAERO Cc1ccc(NC2CCC([NH3+])CC2)nn1 ZINC000051693750 178756865 /nfs/dbraw/zinc/75/68/65/178756865.db2.gz WVUMFUCKJUQQTB-UHFFFAOYSA-N 1 0 206.293 1.467 10 0 BDAERO CS[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000235227852 344849603 /nfs/dbraw/zinc/84/96/03/344849603.db2.gz DPMCXIPBFHNXNI-SFYZADRCSA-N 1 0 216.350 1.124 10 0 BDAERO CC[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000119689789 344859538 /nfs/dbraw/zinc/85/95/38/344859538.db2.gz BOAMSQYSHLSEAW-ZDUSSCGKSA-N 1 0 225.380 1.108 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@@H]1[NH3+] ZINC000235375616 344897671 /nfs/dbraw/zinc/89/76/71/344897671.db2.gz PYVJLTZOXOLFRZ-RNCFNFMXSA-N 1 0 246.310 1.136 10 0 BDAERO C[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000050562410 187295134 /nfs/dbraw/zinc/29/51/34/187295134.db2.gz GNYMHIWIOKYORS-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO [NH3+]C[C@@H](NCc1ccccc1)[C@H]1CCSC1 ZINC000224531611 344938436 /nfs/dbraw/zinc/93/84/36/344938436.db2.gz MVNHYKAPQZYFHR-QWHCGFSZSA-N 1 0 236.384 1.857 10 0 BDAERO C[C@H]([NH3+])C(=O)Nc1ncnc(Cl)c1Cl ZINC000235461307 344920146 /nfs/dbraw/zinc/92/01/46/344920146.db2.gz AGARPVYHJFNCEP-VKHMYHEASA-N 1 0 235.074 1.069 10 0 BDAERO CO[C@H]1CCC[C@H]([NH2+]CCn2cc(C)cn2)C1 ZINC000234824913 537877639 /nfs/dbraw/zinc/87/76/39/537877639.db2.gz JMMXXPBKMGXGQV-STQMWFEESA-N 1 0 237.347 1.739 10 0 BDAERO COC(=O)c1ccc(N2C[C@H]([NH3+])C[C@H]2C)nc1C ZINC000600963556 344948019 /nfs/dbraw/zinc/94/80/19/344948019.db2.gz YCYAOHUTHJZMQE-PSASIEDQSA-N 1 0 249.314 1.103 10 0 BDAERO COc1cc(OC)cc([C@H]([NH3+])CCO)c1 ZINC000044232261 344988222 /nfs/dbraw/zinc/98/82/22/344988222.db2.gz AWHHTZFXVFIWOL-LLVKDONJSA-N 1 0 211.261 1.086 10 0 BDAERO [NH3+][C@H](CCO)c1cccc(OC(F)F)c1 ZINC000044233302 344989063 /nfs/dbraw/zinc/98/90/63/344989063.db2.gz UGCRHESCIKBTGT-SECBINFHSA-N 1 0 217.215 1.670 10 0 BDAERO C[C@@H](c1ccc[nH]1)N(C)C[C@H]1CC[NH2+]C1 ZINC000247964679 344992750 /nfs/dbraw/zinc/99/27/50/344992750.db2.gz GVLVCDMZIGEUFQ-QWRGUYRKSA-N 1 0 207.321 1.617 10 0 BDAERO C/C=C/C(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051358606 187298113 /nfs/dbraw/zinc/29/81/13/187298113.db2.gz AWHKVCFPDNTMGA-GDACHTDGSA-N 1 0 208.305 1.306 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN(C/C(Cl)=C\Cl)C1 ZINC000227683394 345022768 /nfs/dbraw/zinc/02/27/68/345022768.db2.gz AYIBVYYJOSOZRR-HVMXONLBSA-N 1 0 223.147 1.975 10 0 BDAERO Cc1csc(CN2CC[NH2+][C@@H](C)C2)c1 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/nfs/dbraw/zinc/33/75/03/346337503.db2.gz RNMXOHANXRVQFY-ZYHUDNBSSA-N 1 0 212.337 1.095 10 0 BDAERO C[C@]([NH3+])(CCNC(=O)C1CCCC1)C(F)F ZINC000669378842 537973236 /nfs/dbraw/zinc/97/32/36/537973236.db2.gz PMWKGFCQNIIQDQ-NSHDSACASA-N 1 0 234.290 1.665 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000669378721 537971616 /nfs/dbraw/zinc/97/16/16/537971616.db2.gz NXKDOFSQCYXVFQ-ZJUUUORDSA-N 1 0 227.352 1.410 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCC[NH2+]CC12CC2 ZINC000725241257 537977808 /nfs/dbraw/zinc/97/78/08/537977808.db2.gz CICSCGFPTDRFJM-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000300363677 346432156 /nfs/dbraw/zinc/43/21/56/346432156.db2.gz WKXBFIUWIGWKOM-AXFHLTTASA-N 1 0 212.337 1.537 10 0 BDAERO C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1CC[NH3+] ZINC000669379344 537979593 /nfs/dbraw/zinc/97/95/93/537979593.db2.gz YQUSTJYUYRPZDS-NXEZZACHSA-N 1 0 210.321 1.230 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2CCCNC2=O)c1 ZINC000050393915 179097833 /nfs/dbraw/zinc/09/78/33/179097833.db2.gz BYTSIFHFWIXVQG-GFCCVEGCSA-N 1 0 218.300 1.363 10 0 BDAERO CC[C@H](N[C@H]1C[C@@H]2CCCC[N@@H+]2C1)C(=O)OC ZINC000725241931 537981361 /nfs/dbraw/zinc/98/13/61/537981361.db2.gz WVWWOUUQCJSMFE-SRVKXCTJSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1CCn2c(N)c[nH+]c2C1 ZINC000725241948 537981427 /nfs/dbraw/zinc/98/14/27/537981427.db2.gz XLCDUNYKLSMCOR-QMMMGPOBSA-N 1 0 237.303 1.369 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)O1 ZINC000380151068 346502701 /nfs/dbraw/zinc/50/27/01/346502701.db2.gz INCVDOIHVIABJD-RMPHRYRLSA-N 1 0 240.347 1.057 10 0 BDAERO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH3+] ZINC000038673436 179108536 /nfs/dbraw/zinc/10/85/36/179108536.db2.gz KBCATONITNBPBC-SSDOTTSWSA-N 1 0 212.680 1.934 10 0 BDAERO [NH3+]Cc1ccncc1N1CCSCC1 ZINC000162446374 346523975 /nfs/dbraw/zinc/52/39/75/346523975.db2.gz JJDXSSJRVPSNMZ-UHFFFAOYSA-N 1 0 209.318 1.094 10 0 BDAERO Cc1cccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282455648 179100984 /nfs/dbraw/zinc/10/09/84/179100984.db2.gz SSIAASWKRATDDA-YPMHNXCESA-N 1 0 232.327 1.752 10 0 BDAERO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2O)c1 ZINC000037859918 179101442 /nfs/dbraw/zinc/10/14/42/179101442.db2.gz DXZKZPHUKQWODL-QWHCGFSZSA-N 1 0 205.301 1.998 10 0 BDAERO Cc1cccc(C[C@H]([NH3+])Cc2ncc[nH]2)c1 ZINC000052127820 179105389 /nfs/dbraw/zinc/10/53/89/179105389.db2.gz WBVGNLUVJCGPCG-LBPRGKRZSA-N 1 0 215.300 1.831 10 0 BDAERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(C#N)nn1 ZINC000396902473 349973133 /nfs/dbraw/zinc/97/31/33/349973133.db2.gz ZIAZGJSKUZROEZ-LLVKDONJSA-N 1 0 233.319 1.158 10 0 BDAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000162765883 346537978 /nfs/dbraw/zinc/53/79/78/346537978.db2.gz BQTJRCZQFUDWJA-GHMZBOCLSA-N 1 0 226.364 1.927 10 0 BDAERO CN(c1ncncc1Cl)C(C)(C)C[NH3+] ZINC000163769266 346575484 /nfs/dbraw/zinc/57/54/84/346575484.db2.gz VZFZXPZTIGXCPM-UHFFFAOYSA-N 1 0 214.700 1.304 10 0 BDAERO [NH2+]=C1N[C@H](c2ccc(Cl)cc2F)CO1 ZINC000163792075 346577197 /nfs/dbraw/zinc/57/71/97/346577197.db2.gz IJHACDXRWIFLHP-QMMMGPOBSA-N 1 0 214.627 1.865 10 0 BDAERO Cc1cccc(N2CC[C@@H]([NH3+])C2=O)c1C ZINC000049647812 179122815 /nfs/dbraw/zinc/12/28/15/179122815.db2.gz SWNFPPDHFNFQBC-SNVBAGLBSA-N 1 0 204.273 1.367 10 0 BDAERO Cc1nccc(Cl)c1[C@H]1C[NH2+]CCN1 ZINC000669379975 537984032 /nfs/dbraw/zinc/98/40/32/537984032.db2.gz NQQVVNCJEYBYHX-SECBINFHSA-N 1 0 211.696 1.277 10 0 BDAERO CC[C@](C)(O)C[NH2+]Cc1csc(COC)n1 ZINC000164530488 346608122 /nfs/dbraw/zinc/60/81/22/346608122.db2.gz CRAQLDOYFBEODM-NSHDSACASA-N 1 0 244.360 1.540 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COC(C)C ZINC000300393953 346612816 /nfs/dbraw/zinc/61/28/16/346612816.db2.gz YKHULBBOIGOPST-UTUOFQBUSA-N 1 0 215.337 1.551 10 0 BDAERO [NH3+]CC1CCN(c2nc(Cl)cs2)CC1 ZINC000165290250 346646597 /nfs/dbraw/zinc/64/65/97/346646597.db2.gz WLGJGJKBYNPADB-UHFFFAOYSA-N 1 0 231.752 1.972 10 0 BDAERO CCc1cc(N[C@@H](C)C[C@@H](C)[NH3+])nc(C)n1 ZINC000165762742 346657682 /nfs/dbraw/zinc/65/76/82/346657682.db2.gz NQALAPADMFCWJB-BDAKNGLRSA-N 1 0 222.336 1.885 10 0 BDAERO Cc1cccc(NC(=O)NC2CC([NH3+])C2)c1 ZINC000036263537 179133882 /nfs/dbraw/zinc/13/38/82/179133882.db2.gz DPMKGIDCFZMDLJ-UHFFFAOYSA-N 1 0 219.288 1.606 10 0 BDAERO [NH3+]C[C@@]1(Cc2nccs2)CCCS1 ZINC000166494890 346677572 /nfs/dbraw/zinc/67/75/72/346677572.db2.gz KCDZIEHBPIOYGZ-VIFPVBQESA-N 1 0 214.359 1.910 10 0 BDAERO Cc1cccc(NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000144909300 179146154 /nfs/dbraw/zinc/14/61/54/179146154.db2.gz HYZPAWFZXYGDNF-CYBMUJFWSA-N 1 0 249.358 1.649 10 0 BDAERO Cc1cccc(N[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000335656007 179157854 /nfs/dbraw/zinc/15/78/54/179157854.db2.gz HERPVCVMWQWZPU-KOLCDFICSA-N 1 0 205.305 1.800 10 0 BDAERO CC1(C)C[NH+]=C(N[C@@H]2CCOC2)SC1 ZINC000168763503 346743152 /nfs/dbraw/zinc/74/31/52/346743152.db2.gz OCRMBLZOEISODT-MRVPVSSYSA-N 1 0 214.334 1.494 10 0 BDAERO COC[C@@H](C)C[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000188095723 346752558 /nfs/dbraw/zinc/75/25/58/346752558.db2.gz OZHJEMGRHQVLPN-GXSJLCMTSA-N 1 0 238.335 1.294 10 0 BDAERO CCCc1nn(C2CC2)c2c1CC[NH2+]C2 ZINC000725242594 537986567 /nfs/dbraw/zinc/98/65/67/537986567.db2.gz JTSYFDQGSAVIQH-UHFFFAOYSA-N 1 0 205.305 1.816 10 0 BDAERO Cc1cccc(OCC[NH2+]C[C@@H](C)C(N)=O)c1 ZINC000042896575 179167720 /nfs/dbraw/zinc/16/77/20/179167720.db2.gz RMMGUFOCUKZNHS-LLVKDONJSA-N 1 0 236.315 1.085 10 0 BDAERO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)CF)c1 ZINC000040847655 179170615 /nfs/dbraw/zinc/17/06/15/179170615.db2.gz DIYDLIFSZIZBCW-NWDGAFQWSA-N 1 0 241.306 1.682 10 0 BDAERO Cc1cccc(OC[C@@H]2CC[C@@H](C[NH3+])O2)c1 ZINC000052666884 179171116 /nfs/dbraw/zinc/17/11/16/179171116.db2.gz LRVIMRGBIROCLF-STQMWFEESA-N 1 0 221.300 1.880 10 0 BDAERO Cc1cccc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000051883188 179172418 /nfs/dbraw/zinc/17/24/18/179172418.db2.gz AHRFGTRAYPGVPO-NSHDSACASA-N 1 0 206.289 1.768 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1[C@@H](CO)c1ccccc1 ZINC000039150822 347181292 /nfs/dbraw/zinc/18/12/92/347181292.db2.gz VRKHKCYJNHZJPT-KBPBESRZSA-N 1 0 234.343 1.533 10 0 BDAERO C[C@@H](N[C@@H]1CC[N@H+](C)C[C@H]1C)C(F)F ZINC000299894830 347247409 /nfs/dbraw/zinc/24/74/09/347247409.db2.gz ATBYEEZXRHWCLD-IWSPIJDZSA-N 1 0 206.280 1.570 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000250365829 362801029 /nfs/dbraw/zinc/80/10/29/362801029.db2.gz UURFXYSZQNJMGP-IEECTRCBSA-N 1 0 238.375 1.925 10 0 BDAERO Cc1cccc([C@](C)(O)C[NH2+]C2CC2)c1 ZINC000055033227 179204901 /nfs/dbraw/zinc/20/49/01/179204901.db2.gz QJQXZFRREAZERY-CYBMUJFWSA-N 1 0 205.301 1.955 10 0 BDAERO Cc1cccc2c1nc1n(c2=O)CC[C@H]1[NH3+] ZINC000072266473 179208141 /nfs/dbraw/zinc/20/81/41/179208141.db2.gz NQRPMBCRAJIBKZ-SECBINFHSA-N 1 0 215.256 1.108 10 0 BDAERO C[NH2+][C@@H]1CCC[C@H]([S@](=O)C(C)C)C1 ZINC000250578894 362810703 /nfs/dbraw/zinc/81/07/03/362810703.db2.gz REQQWQXJMZVLGJ-GBIKHYSHSA-N 1 0 203.351 1.674 10 0 BDAERO CO[C@H]([C@@H](C)[NH2+]Cc1cnn(C)c1C)C1CC1 ZINC000388269321 347280202 /nfs/dbraw/zinc/28/02/02/347280202.db2.gz FBSZMLJSSNIZRW-NOZJJQNGSA-N 1 0 237.347 1.632 10 0 BDAERO c1cc2c(s1)[C@@]1(C[C@@H]3COC[C@@H]31)[NH2+]CC2 ZINC000725242884 537988336 /nfs/dbraw/zinc/98/83/36/537988336.db2.gz NNYUKOBJOHQGKH-SCVCMEIPSA-N 1 0 221.325 1.755 10 0 BDAERO CC1(C)C[S@](=O)[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250779160 362821396 /nfs/dbraw/zinc/82/13/96/362821396.db2.gz BSVJUINVIKBMRR-KKFJDGPESA-N 1 0 201.335 1.428 10 0 BDAERO CN(C[C@]1(C)CCC[NH2+]1)[C@H]1CCSC1 ZINC000250802903 362822261 /nfs/dbraw/zinc/82/22/61/362822261.db2.gz PMOMKTSVDLOWLX-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO [NH3+]C[C@@H](n1ccnc1)C(F)(F)C(F)(F)F ZINC000616568665 347449964 /nfs/dbraw/zinc/44/99/64/347449964.db2.gz DKSOGNXLGMBKQO-RXMQYKEDSA-N 1 0 229.152 1.581 10 0 BDAERO Cc1cccc2nc3n(c(=O)c12)CCC[C@H]3[NH3+] ZINC000072266494 179231447 /nfs/dbraw/zinc/23/14/47/179231447.db2.gz LHDMTYSVBYISOQ-SECBINFHSA-N 1 0 229.283 1.499 10 0 BDAERO COCCC(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675055334 537989879 /nfs/dbraw/zinc/98/98/79/537989879.db2.gz PVSIQWAMBFQFDW-UHFFFAOYSA-N 1 0 240.347 1.156 10 0 BDAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H]1CO ZINC000390613100 259395608 /nfs/dbraw/zinc/39/56/08/259395608.db2.gz FTTMVNLKXBGBAV-FPMFFAJLSA-N 1 0 219.328 1.896 10 0 BDAERO C[C@H](C[NH3+])S[C@H]1CCCCC[C@H]1O ZINC000251151956 362841323 /nfs/dbraw/zinc/84/13/23/362841323.db2.gz YFTYCZHVNFLDEB-BBBLOLIVSA-N 1 0 203.351 1.760 10 0 BDAERO C[C@@H](CCCC[NH3+])Nc1ncnc2c1CCC2 ZINC000380106389 365882604 /nfs/dbraw/zinc/88/26/04/365882604.db2.gz YOCLGBNKXPANPI-JTQLQIEISA-N 1 0 234.347 1.895 10 0 BDAERO CC1=CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000390646348 259396370 /nfs/dbraw/zinc/39/63/70/259396370.db2.gz ODHWAXYCVIUZJS-GRYCIOLGSA-N 1 0 222.332 1.742 10 0 BDAERO C[NH2+]Cc1cc(N)ccc1Br ZINC000149904547 347553451 /nfs/dbraw/zinc/55/34/51/347553451.db2.gz XUHLRYKYINZMFK-UHFFFAOYSA-N 1 0 215.094 1.751 10 0 BDAERO Cc1ccccc1C1CC([NH2+]CCN)C1 ZINC000037712827 179256240 /nfs/dbraw/zinc/25/62/40/179256240.db2.gz QUUIKJFYKVXPHQ-UHFFFAOYSA-N 1 0 204.317 1.789 10 0 BDAERO C[N@@H+]1CC=C(c2ccc(F)cc2)[C@H](CO)C1 ZINC000022007000 347600353 /nfs/dbraw/zinc/60/03/53/347600353.db2.gz MXIFCNZZUPFATE-NSHDSACASA-N 1 0 221.275 1.763 10 0 BDAERO Cc1ccccc1CN(C)CC[NH2+]CCN(C)C ZINC000053440120 179270415 /nfs/dbraw/zinc/27/04/15/179270415.db2.gz IPDNTDDUZKKFNY-UHFFFAOYSA-N 1 0 249.402 1.578 10 0 BDAERO CCC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251228757 362847995 /nfs/dbraw/zinc/84/79/95/362847995.db2.gz PMXWMEHNNYLWSH-QWRGUYRKSA-N 1 0 210.321 1.134 10 0 BDAERO Cc1ccccc1CN1CCC[NH2+]CC1=O ZINC000071520666 179273046 /nfs/dbraw/zinc/27/30/46/179273046.db2.gz IDHZHDAXFSLBJG-UHFFFAOYSA-N 1 0 218.300 1.317 10 0 BDAERO Cc1ccccc1CNC(=O)[C@H]([NH3+])C(C)(C)C ZINC000083361189 179279123 /nfs/dbraw/zinc/27/91/23/179279123.db2.gz NPJAHCGJDGTVRC-LBPRGKRZSA-N 1 0 234.343 1.985 10 0 BDAERO Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104209698 179279818 /nfs/dbraw/zinc/27/98/18/179279818.db2.gz KUDFKIKIGUZTON-WCQYABFASA-N 1 0 232.327 1.467 10 0 BDAERO Cc1ccccc1N1CC[NH2+]CCC1=O ZINC000039105319 179296277 /nfs/dbraw/zinc/29/62/77/179296277.db2.gz DOXKYFUNTSXLAO-UHFFFAOYSA-N 1 0 204.273 1.321 10 0 BDAERO Cc1ccccc1C[C@H]1C[NH2+]CC[C@H]1O ZINC000071509468 179291771 /nfs/dbraw/zinc/29/17/71/179291771.db2.gz IUVKRKGTVVVPHD-QWHCGFSZSA-N 1 0 205.301 1.508 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCNC1=O)c1cccs1 ZINC000184047635 347839916 /nfs/dbraw/zinc/83/99/16/347839916.db2.gz SFPYZULLEIGTLA-DTWKUNHWSA-N 1 0 224.329 1.677 10 0 BDAERO Cc1ccccc1NC1(C(N)=O)CC[NH+](C)CC1 ZINC000037942154 179302813 /nfs/dbraw/zinc/30/28/13/179302813.db2.gz VYADYXGJGLGJCJ-UHFFFAOYSA-N 1 0 247.342 1.357 10 0 BDAERO Cc1ccccc1NC(=O)C[NH2+][C@@H]1C[C@H]1C ZINC000052287846 179299117 /nfs/dbraw/zinc/29/91/17/179299117.db2.gz CEJCBPRTGHUVRA-ZYHUDNBSSA-N 1 0 218.300 1.932 10 0 BDAERO NC(=S)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000036827011 347873271 /nfs/dbraw/zinc/87/32/71/347873271.db2.gz IBTHKGJOULNLJW-NXEZZACHSA-N 1 0 212.362 1.927 10 0 BDAERO CC(C)(C)OCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000164399546 323169474 /nfs/dbraw/zinc/16/94/74/323169474.db2.gz YPZDPLLFAYRGKC-GHMZBOCLSA-N 1 0 215.337 1.695 10 0 BDAERO Cc1cc(C)nc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000082592986 347958537 /nfs/dbraw/zinc/95/85/37/347958537.db2.gz WODZJQVWUKBJSS-NSHDSACASA-N 1 0 222.336 1.879 10 0 BDAERO Cc1ccccc1[C@H](C)NC(=O)C[C@H](C)[NH3+] ZINC000040854770 179335904 /nfs/dbraw/zinc/33/59/04/179335904.db2.gz QETBMHYYRNVJQN-QWRGUYRKSA-N 1 0 220.316 1.910 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000091666918 179337828 /nfs/dbraw/zinc/33/78/28/179337828.db2.gz WVCCJUBBOKIDHX-KBPBESRZSA-N 1 0 248.370 1.976 10 0 BDAERO COc1cccc2c1C1=CCC[NH2+][C@H]1CO2 ZINC000196741152 348018410 /nfs/dbraw/zinc/01/84/10/348018410.db2.gz DOMFZCIZIQCMPM-JTQLQIEISA-N 1 0 217.268 1.833 10 0 BDAERO O[C@@H]1COC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000323344664 348018439 /nfs/dbraw/zinc/01/84/39/348018439.db2.gz YEIKVKKQXZQXET-ZIAGYGMSSA-N 1 0 244.294 1.084 10 0 BDAERO Cc1ccccc1[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000037446565 179332851 /nfs/dbraw/zinc/33/28/51/179332851.db2.gz XYPDGINNNFIPDP-CYBMUJFWSA-N 1 0 220.316 1.694 10 0 BDAERO Cc1cc(C)n([C@H](C[NH3+])C(F)(F)F)n1 ZINC000037169743 348024912 /nfs/dbraw/zinc/02/49/12/348024912.db2.gz XGOFZZJUTNHOBO-SSDOTTSWSA-N 1 0 207.199 1.562 10 0 BDAERO CC[NH2+]C[C@H](O)CN(CC)Cc1ccccc1 ZINC000036950622 347980462 /nfs/dbraw/zinc/98/04/62/347980462.db2.gz DBDVVWLSCAICHK-AWEZNQCLSA-N 1 0 236.359 1.479 10 0 BDAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCC[NH3+] ZINC000237679174 179348820 /nfs/dbraw/zinc/34/88/20/179348820.db2.gz JCJRGTIWGRYPFR-NEPJUHHUSA-N 1 0 218.300 1.173 10 0 BDAERO CC(C)CC(=O)N1CCC2(C[NH2+]C2)CC1 ZINC000616570328 348033252 /nfs/dbraw/zinc/03/32/52/348033252.db2.gz FPNMSILZFSWFEK-UHFFFAOYSA-N 1 0 210.321 1.245 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])Sc1nnnn1C ZINC000043040693 179341606 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/nfs/dbraw/zinc/11/28/29/350112829.db2.gz GFABKLSSFVSSHY-WPRPVWTQSA-N 1 0 204.264 1.468 10 0 BDAERO Cc1nc([C@@H](C)[NH2+]CCO)sc1C ZINC000045205770 180034629 /nfs/dbraw/zinc/03/46/29/180034629.db2.gz SURZETKIMWEXPH-SSDOTTSWSA-N 1 0 200.307 1.403 10 0 BDAERO Cc1nnc([C@@H]([NH3+])Cc2ccc(O)cc2)[nH]1 ZINC000048630522 180039152 /nfs/dbraw/zinc/03/91/52/180039152.db2.gz VVPLEJBWBXQGGI-JTQLQIEISA-N 1 0 218.260 1.061 10 0 BDAERO [NH3+]Cc1cccc2c(Br)n[nH]c21 ZINC000089196116 191020691 /nfs/dbraw/zinc/02/06/91/191020691.db2.gz SOYBFJSPYZGZDT-UHFFFAOYSA-N 1 0 226.077 1.784 10 0 BDAERO Cc1nc2c(cccc2OCC[NH3+])s1 ZINC000062200230 180066331 /nfs/dbraw/zinc/06/63/31/180066331.db2.gz AUKFCHGSRSYBHM-UHFFFAOYSA-N 1 0 208.286 1.942 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000392883308 350153043 /nfs/dbraw/zinc/15/30/43/350153043.db2.gz JUTCGTHVRJHZCW-AXFHLTTASA-N 1 0 240.347 1.201 10 0 BDAERO CC(C)C[C@H](C[NH3+])NC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000132745452 191035373 /nfs/dbraw/zinc/03/53/73/191035373.db2.gz QTUJBBYKQZHHMA-FKJOKYEKSA-N 1 0 238.375 1.912 10 0 BDAERO COC(C)(C)C[NH2+]CC1CCOCC1 ZINC000133139555 191037976 /nfs/dbraw/zinc/03/79/76/191037976.db2.gz MJDMTIXQWCNYQR-UHFFFAOYSA-N 1 0 201.310 1.428 10 0 BDAERO Cc1csc2nc(C)c(C[NH2+]C[C@H](C)O)n12 ZINC000037257647 180116871 /nfs/dbraw/zinc/11/68/71/180116871.db2.gz HIFVPVBQKZVAQO-QMMMGPOBSA-N 1 0 239.344 1.483 10 0 BDAERO Cc1ncc(C(=O)N2CC[C@@H]([NH+](C)C)C2)s1 ZINC000170864495 180126108 /nfs/dbraw/zinc/12/61/08/180126108.db2.gz DKWXQWBSLCJZAR-SECBINFHSA-N 1 0 239.344 1.228 10 0 BDAERO [NH3+][C@H]1CCN(CC(=O)c2ccc(F)cc2F)C1 ZINC000050242305 350192608 /nfs/dbraw/zinc/19/26/08/350192608.db2.gz FQZYPXRAATXELM-VIFPVBQESA-N 1 0 240.253 1.181 10 0 BDAERO Cc1ncc(CNC2=[NH+]CCS2)s1 ZINC000049534268 180150737 /nfs/dbraw/zinc/15/07/37/180150737.db2.gz MDRGENOJEPWXBM-UHFFFAOYSA-N 1 0 213.331 1.644 10 0 BDAERO Cc1ncc(CNC[C@H]2CC[NH2+]C2)s1 ZINC000062117088 180151327 /nfs/dbraw/zinc/15/13/27/180151327.db2.gz SBQQOQYVDQNNBG-VIFPVBQESA-N 1 0 211.334 1.151 10 0 BDAERO Cc1nccnc1N[C@H](C)CCCC[NH3+] ZINC000336676446 180180334 /nfs/dbraw/zinc/18/03/34/180180334.db2.gz HQHJVKVIUNRDGQ-SECBINFHSA-N 1 0 208.309 1.136 10 0 BDAERO Cc1nccc(C[NH2+]C[C@](C)(O)C(C)C)n1 ZINC000167966998 180189143 /nfs/dbraw/zinc/18/91/43/180189143.db2.gz QMYZBMGPEQFLAM-LBPRGKRZSA-N 1 0 223.320 1.282 10 0 BDAERO Cc1ncccc1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000335596294 180225059 /nfs/dbraw/zinc/22/50/59/180225059.db2.gz JQSNHSKFRNOHGH-GXSJLCMTSA-N 1 0 233.315 1.717 10 0 BDAERO Cc1nccn1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022222282 180233096 /nfs/dbraw/zinc/23/30/96/180233096.db2.gz AAVNYTLALOJRAL-UHFFFAOYSA-N 1 0 244.298 1.289 10 0 BDAERO [NH3+]Cc1cc(Cc2ccccc2F)ncn1 ZINC000074111171 350238730 /nfs/dbraw/zinc/23/87/30/350238730.db2.gz XKABCYWPVKBHNT-UHFFFAOYSA-N 1 0 217.247 1.665 10 0 BDAERO CNC1(C(=O)OCc2ccccc2)CC1 ZINC000222999965 350262428 /nfs/dbraw/zinc/26/24/28/350262428.db2.gz XWEWNUSANGFUMW-UHFFFAOYSA-N 1 0 205.257 1.482 10 0 BDAERO Cc1nccn1CC[NH2+]CCc1ccccn1 ZINC000049329851 180260688 /nfs/dbraw/zinc/26/06/88/180260688.db2.gz YEVPTONWCUUWFE-UHFFFAOYSA-N 1 0 230.315 1.419 10 0 BDAERO COC(C)(C)c1nc2ccccn2c1C[NH3+] ZINC000725260749 538083659 /nfs/dbraw/zinc/08/36/59/538083659.db2.gz YZYBMBOIIWQPOC-UHFFFAOYSA-N 1 0 219.288 1.675 10 0 BDAERO Cc1nccn1[C@@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043354891 180272273 /nfs/dbraw/zinc/27/22/73/180272273.db2.gz NAOAGDGGCWLYKS-JOYOIKCWSA-N 1 0 216.288 1.523 10 0 BDAERO CON1CCC([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000324548376 350307306 /nfs/dbraw/zinc/30/73/06/350307306.db2.gz UFNOVFLKUBFXOA-NSHDSACASA-N 1 0 230.352 1.009 10 0 BDAERO Cc1nccnc1OCCCC1CC[NH2+]CC1 ZINC000095069474 180280651 /nfs/dbraw/zinc/28/06/51/180280651.db2.gz UEZLKSWAFIAYQO-UHFFFAOYSA-N 1 0 235.331 1.944 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000324291322 350290847 /nfs/dbraw/zinc/29/08/47/350290847.db2.gz ANFLVCDUTBNVJB-MNOVXSKESA-N 1 0 229.364 1.941 10 0 BDAERO CC[N@@H+]1CC[C@@H](NCc2cnc(C)o2)C1 ZINC000397922474 362955413 /nfs/dbraw/zinc/95/54/13/362955413.db2.gz PBGIPJACCABJNF-SNVBAGLBSA-N 1 0 209.293 1.167 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000037268159 180326290 /nfs/dbraw/zinc/32/62/90/180326290.db2.gz FRRIYYMDGNKCIC-DTWKUNHWSA-N 1 0 241.360 1.579 10 0 BDAERO Cc1nn(-c2nccnc2C[NH3+])c(C)c1Cl ZINC000054378317 180331495 /nfs/dbraw/zinc/33/14/95/180331495.db2.gz HZCZUDVVDJNTPP-UHFFFAOYSA-N 1 0 237.694 1.391 10 0 BDAERO OC[C@@H]1CCC[N@@H+]([C@H]2CCOC23CCCC3)C1 ZINC000725263864 538090792 /nfs/dbraw/zinc/09/07/92/538090792.db2.gz SSCYZQZWFKQBFM-OLZOCXBDSA-N 1 0 239.359 1.792 10 0 BDAERO CC1(C(=O)N2CCC3(CCC[C@@H]3[NH3+])CC2)CC1 ZINC000725264074 538090848 /nfs/dbraw/zinc/09/08/48/538090848.db2.gz IFRDYMWAGDOFGJ-NSHDSACASA-N 1 0 236.359 1.907 10 0 BDAERO Cc1nn(C)c(N(C)[C@H]2CCSC2)c1C[NH3+] ZINC000037175482 180352831 /nfs/dbraw/zinc/35/28/31/180352831.db2.gz FUDNJLWTWVWUGP-VIFPVBQESA-N 1 0 240.376 1.129 10 0 BDAERO CC(=O)Nc1ccccc1[C@@H]1CC[NH2+]CCO1 ZINC000616591847 350413717 /nfs/dbraw/zinc/41/37/17/350413717.db2.gz AEGDSBWOTIYNCE-ZDUSSCGKSA-N 1 0 234.299 1.696 10 0 BDAERO CC(C)Cc1[nH]nc(C2CC2)c1CC[NH3+] ZINC000409441979 350482375 /nfs/dbraw/zinc/48/23/75/350482375.db2.gz VYENYIJSDBAOPH-UHFFFAOYSA-N 1 0 207.321 1.987 10 0 BDAERO [NH3+]Cc1cc(-c2cccnc2)nn1CCF ZINC000409443859 350483166 /nfs/dbraw/zinc/48/31/66/350483166.db2.gz VNIZXIXRHOSTAT-UHFFFAOYSA-N 1 0 220.251 1.373 10 0 BDAERO CCCNC(=O)C[NH2+]Cc1ccnc(C)c1 ZINC000391134313 350484676 /nfs/dbraw/zinc/48/46/76/350484676.db2.gz HVHAONHAKVHOSD-UHFFFAOYSA-N 1 0 221.304 1.006 10 0 BDAERO c1nnn([C@@H]2CCC[NH2+]CC2)c1-c1ccncc1 ZINC000725266109 538093912 /nfs/dbraw/zinc/09/39/12/538093912.db2.gz NNKZVCNNZRSVED-GFCCVEGCSA-N 1 0 243.314 1.655 10 0 BDAERO Cc1nn([C@H]2CC[NH2+]C2)c(C)c1Br ZINC000051783786 180393292 /nfs/dbraw/zinc/39/32/92/180393292.db2.gz NOAJKUUGOMQEQA-QMMMGPOBSA-N 1 0 244.136 1.797 10 0 BDAERO C[C@H](CCCO)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000227785119 350514360 /nfs/dbraw/zinc/51/43/60/350514360.db2.gz UGFUXNYLRNKJRV-VWYCJHECSA-N 1 0 215.337 1.693 10 0 BDAERO O=C1CC[C@H]([N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000227414526 350495196 /nfs/dbraw/zinc/49/51/96/350495196.db2.gz YSZWYBISFAJUQC-QWRGUYRKSA-N 1 0 211.305 1.202 10 0 BDAERO Cc1nn(CC[NH2+]C2CC2)c(C)c1Cl ZINC000050587834 180388703 /nfs/dbraw/zinc/38/87/03/180388703.db2.gz VIIKHZCGVBVDIC-UHFFFAOYSA-N 1 0 213.712 1.905 10 0 BDAERO Cc1cccnc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000163096986 350502899 /nfs/dbraw/zinc/50/28/99/350502899.db2.gz QMITXNNQVRKGDF-GFCCVEGCSA-N 1 0 220.316 1.594 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC000247396309 538094350 /nfs/dbraw/zinc/09/43/50/538094350.db2.gz QSWRFICFJWZALW-KKOKHZNYSA-N 1 0 224.348 1.487 10 0 BDAERO C[C@@]1(C[NH2+]CC2CC(O)C2)CCCS1 ZINC000393065730 350544586 /nfs/dbraw/zinc/54/45/86/350544586.db2.gz XGWKUYLHLBJSDJ-ILDUYXDCSA-N 1 0 215.362 1.633 10 0 BDAERO Cc1nnc(N(C)C[C@@H](C)C[NH3+])c2ccccc12 ZINC000042455612 180421156 /nfs/dbraw/zinc/42/11/56/180421156.db2.gz MCLJAZCTHOMXNZ-JTQLQIEISA-N 1 0 244.342 1.969 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063347125 350577241 /nfs/dbraw/zinc/57/72/41/350577241.db2.gz RFFKFECHDRMLGS-QJPTWQEYSA-N 1 0 213.321 1.401 10 0 BDAERO [NH3+]CCN1CCO[C@H](c2cccc(F)c2)CC1 ZINC000616593358 350580297 /nfs/dbraw/zinc/58/02/97/350580297.db2.gz JRYRPSVNXWBXFT-ZDUSSCGKSA-N 1 0 238.306 1.548 10 0 BDAERO Cc1nnc(S[C@@H](C[NH3+])c2ccncc2)o1 ZINC000051038052 180439576 /nfs/dbraw/zinc/43/95/76/180439576.db2.gz JYIFQHBBTOCLRM-VIFPVBQESA-N 1 0 236.300 1.565 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2ccc(CCO)cc2)CC1 ZINC000616595463 350608502 /nfs/dbraw/zinc/60/85/02/350608502.db2.gz VUQFAYNSQQGIFR-CQSZACIVSA-N 1 0 235.327 1.615 10 0 BDAERO c1cc2nnccc2c([C@H]2CC[NH2+]CCO2)c1 ZINC000616595695 350610692 /nfs/dbraw/zinc/61/06/92/350610692.db2.gz XRPRFOGFLQQBAQ-CYBMUJFWSA-N 1 0 229.283 1.681 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1cccc(CCO)c1 ZINC000616597098 350638242 /nfs/dbraw/zinc/63/82/42/350638242.db2.gz MWPQGCOEVDGPTR-AWEZNQCLSA-N 1 0 235.327 1.615 10 0 BDAERO CCCCS(=O)(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125068125 538098114 /nfs/dbraw/zinc/09/81/14/538098114.db2.gz SGKHUSMZISHMMP-NSHDSACASA-N 1 0 248.392 1.320 10 0 BDAERO CC(=O)Nc1ccccc1[C@H]1C[NH2+]CCCO1 ZINC000616597860 350653752 /nfs/dbraw/zinc/65/37/52/350653752.db2.gz GRXMPFRQNJDPOU-CYBMUJFWSA-N 1 0 234.299 1.696 10 0 BDAERO CC(C)C[C@H](C)C[NH2+][C@H]1CCOC[C@@H]1O ZINC000628466436 358457683 /nfs/dbraw/zinc/45/76/83/358457683.db2.gz AOSZTECHVAOXMA-SRVKXCTJSA-N 1 0 215.337 1.408 10 0 BDAERO [NH3+]CCN1CCOCC[C@@H]1c1ccccc1F ZINC000616599115 350718589 /nfs/dbraw/zinc/71/85/89/350718589.db2.gz OOILSCKSGIILLP-CYBMUJFWSA-N 1 0 238.306 1.548 10 0 BDAERO CC(C)(C)[C@H]1COCCC[N@@H+]1CCO ZINC000616599228 350737945 /nfs/dbraw/zinc/73/79/45/350737945.db2.gz ITLGLTBDAQMPQT-SNVBAGLBSA-N 1 0 201.310 1.116 10 0 BDAERO Nc1cccc([C@H]2CCCC[N@@H+]2CCO)n1 ZINC000616613927 350815922 /nfs/dbraw/zinc/81/59/22/350815922.db2.gz FJYLXMUIWKTXGY-LLVKDONJSA-N 1 0 221.304 1.183 10 0 BDAERO C[C@H](C[N@@H+]1CCOC(C)(C)C1)[C@H](C)[NH3+] ZINC000228594027 350818469 /nfs/dbraw/zinc/81/84/69/350818469.db2.gz RKEBDHCDYVMUDJ-ZJUUUORDSA-N 1 0 200.326 1.081 10 0 BDAERO CCN1CC[NH2+][C@@H](c2cnnc3ccccc32)C1 ZINC000616600121 350779570 /nfs/dbraw/zinc/77/95/70/350779570.db2.gz BZEDTKNNMDHZDU-CQSZACIVSA-N 1 0 242.326 1.596 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2ccc(CO)cc2)CC1 ZINC000616600573 350780267 /nfs/dbraw/zinc/78/02/67/350780267.db2.gz GPIRNSZDFFBVEB-CQSZACIVSA-N 1 0 248.370 1.707 10 0 BDAERO c1cc2ccncc2c([C@H]2C[NH2+]CCN2)c1 ZINC000616601576 350782119 /nfs/dbraw/zinc/78/21/19/350782119.db2.gz RQXIELVAQNPXQF-CYBMUJFWSA-N 1 0 213.284 1.469 10 0 BDAERO OCC[N@H+](C1CC1)C1CCSCC1 ZINC000092901286 350783145 /nfs/dbraw/zinc/78/31/45/350783145.db2.gz MACYAFHWAGCECD-UHFFFAOYSA-N 1 0 201.335 1.339 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2cccnc2)C1 ZINC000616603951 350795572 /nfs/dbraw/zinc/79/55/72/350795572.db2.gz KWSLLYUZZYMVHI-ZDUSSCGKSA-N 1 0 220.316 1.643 10 0 BDAERO [NH3+]CCN1CCC[C@@H]1c1cccc(CO)c1 ZINC000616606477 350798252 /nfs/dbraw/zinc/79/82/52/350798252.db2.gz BHQCNZCOAFUPEU-CYBMUJFWSA-N 1 0 220.316 1.275 10 0 BDAERO C[N@@H+]1CCC[C@H]1c1cccc(CCO)c1 ZINC000616606750 350798358 /nfs/dbraw/zinc/79/83/58/350798358.db2.gz IEEONRCQVRIMPW-ZDUSSCGKSA-N 1 0 205.301 1.988 10 0 BDAERO C[N@@H+]1CCC[C@@H]1c1ccccc1C(N)=O ZINC000616607605 350801008 /nfs/dbraw/zinc/80/10/08/350801008.db2.gz VRQPDNNKIPVLOF-LLVKDONJSA-N 1 0 204.273 1.552 10 0 BDAERO CC(=O)Nc1ccc([C@@H]2CCC[N@@H+]2CCO)cc1 ZINC000616607523 350801171 /nfs/dbraw/zinc/80/11/71/350801171.db2.gz JODRLCYGFKAWRK-AWEZNQCLSA-N 1 0 248.326 1.774 10 0 BDAERO Cc1nn(C)cc1[C@H]([NH3+])[C@@H]1CCCS1 ZINC000306679551 350834263 /nfs/dbraw/zinc/83/42/63/350834263.db2.gz ILPXFVTTXNDLNL-UWVGGRQHSA-N 1 0 211.334 1.624 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)Cc1ccoc1 ZINC000306681697 350837961 /nfs/dbraw/zinc/83/79/61/350837961.db2.gz OWYPTPIAKZVULI-MWLCHTKSSA-N 1 0 207.273 1.779 10 0 BDAERO OCCc1ccc([C@H]2CCCC[N@H+]2CCO)cc1 ZINC000616614907 350842020 /nfs/dbraw/zinc/84/20/20/350842020.db2.gz YSVHJUQYGWAYRQ-OAHLLOKOSA-N 1 0 249.354 1.741 10 0 BDAERO C[C@@H]1[C@H](C)[NH2+]CCN1[C@H]1CCSC1 ZINC000306698640 350847975 /nfs/dbraw/zinc/84/79/75/350847975.db2.gz HRDYNHLYDGNTON-AEJSXWLSSA-N 1 0 200.351 1.174 10 0 BDAERO CO[C@H]1CCC[C@@H]1[NH+]1CCC2(CC1)OCCO2 ZINC000306700551 350849536 /nfs/dbraw/zinc/84/95/36/350849536.db2.gz FREWXNPPDXIIER-RYUDHWBXSA-N 1 0 241.331 1.393 10 0 BDAERO N[C@@H](CC[NH3+])c1ccc(Br)cn1 ZINC000306702782 350851362 /nfs/dbraw/zinc/85/13/62/350851362.db2.gz AGHNNWQDQICQBL-ZETCQYMHSA-N 1 0 230.109 1.193 10 0 BDAERO CN(CCO)CC[N@H+](C)CC1(C)CCC1 ZINC000623090371 350857599 /nfs/dbraw/zinc/85/75/99/350857599.db2.gz KQOGLXLUMLWUNH-UHFFFAOYSA-N 1 0 214.353 1.033 10 0 BDAERO CC1(C)[C@@H](O)CC[N@@H+]1[C@H]1CCCCC1=O ZINC000306675674 350827916 /nfs/dbraw/zinc/82/79/16/350827916.db2.gz TXPSBFAMABBGDK-ONGXEEELSA-N 1 0 211.305 1.343 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N1CCCOCC1 ZINC000306727571 350898695 /nfs/dbraw/zinc/89/86/95/350898695.db2.gz MTNDRMBUGKFXRM-UHFFFAOYSA-N 1 0 233.315 1.433 10 0 BDAERO CNC(=[NH2+])Nc1cc(Cl)ccc1OC ZINC000052069531 350902654 /nfs/dbraw/zinc/90/26/54/350902654.db2.gz AAVJCMQUBHIRII-UHFFFAOYSA-N 1 0 213.668 1.915 10 0 BDAERO CC[C@H](C)[N@@H+]1CCCC[C@H]1C(N)=S ZINC000251799273 350903704 /nfs/dbraw/zinc/90/37/04/350903704.db2.gz KKSHUNORHHAYEE-IUCAKERBSA-N 1 0 200.351 1.926 10 0 BDAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)C(N)=S ZINC000252433759 350911065 /nfs/dbraw/zinc/91/10/65/350911065.db2.gz COEKPUAQOCNJSE-IUCAKERBSA-N 1 0 200.351 1.641 10 0 BDAERO CC[NH+]1CCC(c2cccc(N)n2)CC1 ZINC000616619417 350927426 /nfs/dbraw/zinc/92/74/26/350927426.db2.gz MZABZTPIWQCQRG-UHFFFAOYSA-N 1 0 205.305 1.863 10 0 BDAERO CN(C/C=C\c1ccccc1)CC[N@H+](C)CCO ZINC000623091867 350875800 /nfs/dbraw/zinc/87/58/00/350875800.db2.gz XSOTVVMFNMWVKU-TWGQIWQCSA-N 1 0 248.370 1.556 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C2CCS(=O)CC2)[C@@H]1C ZINC000306722252 350889623 /nfs/dbraw/zinc/88/96/23/350889623.db2.gz FPDDPHOKIVFPDP-ARYPQAEXSA-N 1 0 215.362 1.532 10 0 BDAERO CNC(=[NH2+])NCc1cc2c(s1)CCC2 ZINC000052020193 350890403 /nfs/dbraw/zinc/89/04/03/350890403.db2.gz BNYQKSGAYZPUJY-UHFFFAOYSA-N 1 0 209.318 1.481 10 0 BDAERO CC(C)NC(=[NH2+])N(C)[C@H]1CCSC1 ZINC000052037782 350890841 /nfs/dbraw/zinc/89/08/41/350890841.db2.gz NPKXIHBJFWVJDS-QMMMGPOBSA-N 1 0 201.339 1.356 10 0 BDAERO O[C@H](c1cncc(Br)c1)C1C[NH2+]C1 ZINC000306723254 350892213 /nfs/dbraw/zinc/89/22/13/350892213.db2.gz GRLVTFRILSRZJA-SECBINFHSA-N 1 0 243.104 1.097 10 0 BDAERO [NH3+]C1CCC(O)(Cc2cncs2)CC1 ZINC000159676365 350963216 /nfs/dbraw/zinc/96/32/16/350963216.db2.gz HHTBIRWDBNKAAK-UHFFFAOYSA-N 1 0 212.318 1.318 10 0 BDAERO CC(=O)[C@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000306754519 350965825 /nfs/dbraw/zinc/96/58/25/350965825.db2.gz POXDBRDNBATBEC-IUCAKERBSA-N 1 0 201.335 1.649 10 0 BDAERO C[C@H](N)[C@H](C)[N@@H+]1CCSCC[C@H]1C ZINC000306756169 350969485 /nfs/dbraw/zinc/96/94/85/350969485.db2.gz RCELMQIBSDNQOL-UTLUCORTSA-N 1 0 202.367 1.550 10 0 BDAERO C[C@@H]([NH3+])C[S@@](=O)C1CCCCCC1 ZINC000129038010 350970576 /nfs/dbraw/zinc/97/05/76/350970576.db2.gz RPKAFUKVYDKGGA-RNCFNFMXSA-N 1 0 203.351 1.805 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000052287408 350978969 /nfs/dbraw/zinc/97/89/69/350978969.db2.gz PYJATDZWCKTVRI-PWSUYJOCSA-N 1 0 218.300 1.301 10 0 BDAERO [NH3+][C@@H](Cc1cncs1)c1ccncc1 ZINC000159709218 350980767 /nfs/dbraw/zinc/98/07/67/350980767.db2.gz KGAURSQKFNVVRL-JTQLQIEISA-N 1 0 205.286 1.781 10 0 BDAERO Cn1ccnc1[C@@H]([NH3+])Cc1cncs1 ZINC000159740130 350990890 /nfs/dbraw/zinc/99/08/90/350990890.db2.gz YEDKKSNDFUTZBT-QMMMGPOBSA-N 1 0 208.290 1.119 10 0 BDAERO C[NH2+][C@H](CO)c1csc(Br)c1 ZINC000306763641 350993917 /nfs/dbraw/zinc/99/39/17/350993917.db2.gz YMQBKZPBKFFBAD-ZCFIWIBFSA-N 1 0 236.134 1.763 10 0 BDAERO [NH3+]CC1(Cc2cncs2)CCOCC1 ZINC000159762341 350996586 /nfs/dbraw/zinc/99/65/86/350996586.db2.gz KPVWIESZZJZJMV-UHFFFAOYSA-N 1 0 212.318 1.441 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)c1ccc(F)cc1 ZINC000159773173 350998604 /nfs/dbraw/zinc/99/86/04/350998604.db2.gz XTXPWEGYNHJHEJ-LDYMZIIASA-N 1 0 207.248 1.864 10 0 BDAERO Cc1c(C[NH3+])cnn1Cc1cncs1 ZINC000159782580 351001968 /nfs/dbraw/zinc/00/19/68/351001968.db2.gz PQTRGRPAYAILSE-UHFFFAOYSA-N 1 0 208.290 1.155 10 0 BDAERO COc1ccc(C(=O)[C@H]2C[NH2+]C[C@H]2C)s1 ZINC000306770639 351003925 /nfs/dbraw/zinc/00/39/25/351003925.db2.gz BVOVNYJKKXNQQL-SFYZADRCSA-N 1 0 225.313 1.795 10 0 BDAERO Cc1nsc(NC(C)(C)[C@@H](C)[NH3+])n1 ZINC000128990961 350955403 /nfs/dbraw/zinc/95/54/03/350955403.db2.gz SIVMCMKNMOWOED-RXMQYKEDSA-N 1 0 200.311 1.384 10 0 BDAERO O=CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000306774734 351015787 /nfs/dbraw/zinc/01/57/87/351015787.db2.gz KJEDJTDIMCZWLG-RRFJBIMHSA-N 1 0 244.338 1.643 10 0 BDAERO Nc1ncc([C@@H](F)[C@@H]2CCC[NH2+]C2)s1 ZINC000159898652 351023150 /nfs/dbraw/zinc/02/31/50/351023150.db2.gz ZBILBYBDFJIOOS-SVRRBLITSA-N 1 0 215.297 1.736 10 0 BDAERO Nc1ncc(C2(F)CCC([NH3+])CC2)s1 ZINC000159894510 351023226 /nfs/dbraw/zinc/02/32/26/351023226.db2.gz OMDLFPBTCKEYNJ-UHFFFAOYSA-N 1 0 215.297 1.791 10 0 BDAERO C[C@H](C[NH3+])N(C)c1cc(Cl)nnc1Cl ZINC000306790467 351039255 /nfs/dbraw/zinc/03/92/55/351039255.db2.gz VQQSQSUABGOVCP-RXMQYKEDSA-N 1 0 235.118 1.567 10 0 BDAERO C[C@H]1C[C@H](CNC(=O)C(F)(F)F)C[N@@H+]1C ZINC000306803937 351058889 /nfs/dbraw/zinc/05/88/89/351058889.db2.gz WSSXOMSNQFZKKL-NKWVEPMBSA-N 1 0 224.226 1.005 10 0 BDAERO CC(C)[S@@](=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000306807432 351060876 /nfs/dbraw/zinc/06/08/76/351060876.db2.gz MIOHSDABBAZBNY-YMTOWFKASA-N 1 0 218.366 1.118 10 0 BDAERO CC(C)[S@](=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000306807431 351061482 /nfs/dbraw/zinc/06/14/82/351061482.db2.gz MIOHSDABBAZBNY-XPTSAGLGSA-N 1 0 218.366 1.118 10 0 BDAERO OCC[N@@H+]1CCC[C@H](c2cccnc2)CC1 ZINC000616630211 351102492 /nfs/dbraw/zinc/10/24/92/351102492.db2.gz YUYOHKMYEPSBOD-LBPRGKRZSA-N 1 0 220.316 1.643 10 0 BDAERO Cc1scc(C(=O)NC2C[NH2+]C2)c1C ZINC000306868457 180561153 /nfs/dbraw/zinc/56/11/53/180561153.db2.gz QSDAGYDXLOULIJ-UHFFFAOYSA-N 1 0 210.302 1.067 10 0 BDAERO CC[N@@H+]1CCN[C@H](c2ccc(N)cc2)C1 ZINC000616632112 351109656 /nfs/dbraw/zinc/10/96/56/351109656.db2.gz HXYLZXNLWXKBDJ-LBPRGKRZSA-N 1 0 205.305 1.235 10 0 BDAERO CC(=O)Nc1ccccc1[C@H]1CCCN1CC[NH3+] ZINC000616632166 351110998 /nfs/dbraw/zinc/11/09/98/351110998.db2.gz ISSRYTZDRBUAFC-CQSZACIVSA-N 1 0 247.342 1.741 10 0 BDAERO CNc1ccccc1[C@H]1CN(C)CC[NH2+]1 ZINC000616632355 351111660 /nfs/dbraw/zinc/11/16/60/351111660.db2.gz OEQKIWUFVMSCLP-GFCCVEGCSA-N 1 0 205.305 1.304 10 0 BDAERO CC[N@@H+]1CCN[C@H](c2ccccc2NC)C1 ZINC000616633048 351114295 /nfs/dbraw/zinc/11/42/95/351114295.db2.gz YIWHIKIZGZFYKA-ZDUSSCGKSA-N 1 0 219.332 1.695 10 0 BDAERO C[N@@H+]1CCN[C@H](c2cc3ccccc3cn2)C1 ZINC000616633023 351114471 /nfs/dbraw/zinc/11/44/71/351114471.db2.gz WWJCQINWFWTYHO-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccno2)C1 ZINC000616633912 351116325 /nfs/dbraw/zinc/11/63/25/351116325.db2.gz GRYXYUMXWWIUKF-VIFPVBQESA-N 1 0 209.293 1.419 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccon2)C1 ZINC000616634245 351116906 /nfs/dbraw/zinc/11/69/06/351116906.db2.gz OISKOOAZYYYXMZ-JTQLQIEISA-N 1 0 209.293 1.419 10 0 BDAERO c1nc([C@@H]2C[NH2+]CCN2Cc2ccccc2)c[nH]1 ZINC000616635232 351119391 /nfs/dbraw/zinc/11/93/91/351119391.db2.gz GCLQQEMALYTJIL-AWEZNQCLSA-N 1 0 242.326 1.556 10 0 BDAERO CNc1cccc([C@@H]2C[NH2+]CCN2C(=O)OC)c1 ZINC000616636063 351122914 /nfs/dbraw/zinc/12/29/14/351122914.db2.gz NFVIVNJVANZRCA-LBPRGKRZSA-N 1 0 249.314 1.441 10 0 BDAERO CCn1ncnc1-c1sc(C[NH3+])nc1C ZINC000082486854 538100105 /nfs/dbraw/zinc/10/01/05/538100105.db2.gz HMEFNJYPPGJBBM-UHFFFAOYSA-N 1 0 223.305 1.189 10 0 BDAERO NC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000616623040 351088677 /nfs/dbraw/zinc/08/86/77/351088677.db2.gz VDOYQJNYFGPUQN-CYBMUJFWSA-N 1 0 232.327 1.917 10 0 BDAERO OCC[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000616625760 351094520 /nfs/dbraw/zinc/09/45/20/351094520.db2.gz VRCOZWKKAIWNAM-ZDUSSCGKSA-N 1 0 220.316 1.991 10 0 BDAERO [NH3+]CCN1CCCC[C@@H](c2ncco2)C1 ZINC000616627411 351094580 /nfs/dbraw/zinc/09/45/80/351094580.db2.gz BJJBXMMUOJLZLF-SNVBAGLBSA-N 1 0 209.293 1.203 10 0 BDAERO OCC[N@@H+]1CCC[C@H](c2ccnnc2)CC1 ZINC000616628751 351099287 /nfs/dbraw/zinc/09/92/87/351099287.db2.gz QODPCWKAFBCGDN-NSHDSACASA-N 1 0 221.304 1.038 10 0 BDAERO c1cc([C@@H]2CN(Cc3ccccc3)CCO2)n[nH]1 ZINC000616642901 351153559 /nfs/dbraw/zinc/15/35/59/351153559.db2.gz NDXDXXRSJZJRLM-AWEZNQCLSA-N 1 0 243.310 1.983 10 0 BDAERO c1nc([C@@H]2CN(Cc3ccccc3)CCO2)n[nH]1 ZINC000616643016 351155419 /nfs/dbraw/zinc/15/54/19/351155419.db2.gz QPMWEDQFMDLCCP-LBPRGKRZSA-N 1 0 244.298 1.378 10 0 BDAERO c1cc2ccnnc2c([C@H]2COCCC[NH2+]2)c1 ZINC000616646363 351170531 /nfs/dbraw/zinc/17/05/31/351170531.db2.gz PEJUFDZTQHMZOW-GFCCVEGCSA-N 1 0 229.283 1.681 10 0 BDAERO CC[N@@H+]1CCCO[C@H](c2ccccn2)C1 ZINC000616650082 351173749 /nfs/dbraw/zinc/17/37/49/351173749.db2.gz SLSZEORHYPELTG-LBPRGKRZSA-N 1 0 206.289 1.865 10 0 BDAERO Nc1ccc([C@@H]2C[N@H+](CCO)CCCO2)cc1 ZINC000616648787 351177123 /nfs/dbraw/zinc/17/71/23/351177123.db2.gz BYRWXJKYRWRWQG-ZDUSSCGKSA-N 1 0 236.315 1.025 10 0 BDAERO FCCCN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000306858595 351180915 /nfs/dbraw/zinc/18/09/15/351180915.db2.gz CPFFOGDECRZABN-MNOVXSKESA-N 1 0 200.301 1.562 10 0 BDAERO FCCCN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000306858594 351181088 /nfs/dbraw/zinc/18/10/88/351181088.db2.gz CPFFOGDECRZABN-GHMZBOCLSA-N 1 0 200.301 1.562 10 0 BDAERO C[C@@H]([NH3+])C(=O)Cc1cccc(F)c1Cl ZINC000167988348 351183628 /nfs/dbraw/zinc/18/36/28/351183628.db2.gz KIJBNNIBPVCJEA-ZCFIWIBFSA-N 1 0 215.655 1.938 10 0 BDAERO CCOC(=O)c1ccc([C@H]2C[NH2+]CCN2C)cc1 ZINC000616637260 351131588 /nfs/dbraw/zinc/13/15/88/351131588.db2.gz IMDZKRVSVPZXPH-CYBMUJFWSA-N 1 0 248.326 1.439 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000616637323 351132265 /nfs/dbraw/zinc/13/22/65/351132265.db2.gz KBFCIZPBZIDLFY-GFCCVEGCSA-N 1 0 219.332 1.826 10 0 BDAERO c1cc([C@H]2C[NH2+]CCN2Cc2ccccc2)n[nH]1 ZINC000616637866 351135760 /nfs/dbraw/zinc/13/57/60/351135760.db2.gz ZSEGHAUBQWQKBR-CQSZACIVSA-N 1 0 242.326 1.556 10 0 BDAERO C[C@@](O)(C[NH3+])c1c(F)c(F)ccc1Cl ZINC000306826530 351135802 /nfs/dbraw/zinc/13/58/02/351135802.db2.gz ZQYKKCKQQVHSGW-SECBINFHSA-N 1 0 221.634 1.784 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000616637852 351136098 /nfs/dbraw/zinc/13/60/98/351136098.db2.gz RZEARATZBLVWGV-GFCCVEGCSA-N 1 0 205.305 1.235 10 0 BDAERO C[C@]1(C(=O)c2cccnc2)CCC[NH2+]C1 ZINC000226339834 351138338 /nfs/dbraw/zinc/13/83/38/351138338.db2.gz UOYMOEKKMWABSW-LBPRGKRZSA-N 1 0 204.273 1.654 10 0 BDAERO NC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000616640009 351144741 /nfs/dbraw/zinc/14/47/41/351144741.db2.gz UMTBHSRKRDPGJU-SNVBAGLBSA-N 1 0 239.706 1.365 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1cn[nH]n1 ZINC000616668313 351230582 /nfs/dbraw/zinc/23/05/82/351230582.db2.gz JFDQXZSPGJOLJR-CYBMUJFWSA-N 1 0 243.314 1.257 10 0 BDAERO CO[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616670356 351232432 /nfs/dbraw/zinc/23/24/32/351232432.db2.gz OOFXPDFLICDIMW-GFCCVEGCSA-N 1 0 206.289 1.370 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1conn1 ZINC000616672047 351235295 /nfs/dbraw/zinc/23/52/95/351235295.db2.gz ZZBMDCPGBKSAGA-ZDUSSCGKSA-N 1 0 244.298 1.522 10 0 BDAERO NC(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC000616673469 351237310 /nfs/dbraw/zinc/23/73/10/351237310.db2.gz NPUNFWNQLRRKKO-SECBINFHSA-N 1 0 219.288 1.093 10 0 BDAERO C[NH2+][C@@H]1Cc2ccccc2N(C(C)=O)C1 ZINC000616674642 351238678 /nfs/dbraw/zinc/23/86/78/351238678.db2.gz WCOVFJYGHKSINZ-LLVKDONJSA-N 1 0 204.273 1.184 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cc[nH]n2)c2ccccc21 ZINC000616676602 351241672 /nfs/dbraw/zinc/24/16/72/351241672.db2.gz XSQYDMBGRBRFSZ-NSHDSACASA-N 1 0 242.326 1.710 10 0 BDAERO CCN1CCO[C@@H](c2ccccc2C(N)=O)C1 ZINC000616677660 351244520 /nfs/dbraw/zinc/24/45/20/351244520.db2.gz NZTGQZXGLOOWPX-GFCCVEGCSA-N 1 0 234.299 1.179 10 0 BDAERO CC(=O)[C@@H]1c2ccccc2CCN1CC[NH3+] ZINC000616678078 351245359 /nfs/dbraw/zinc/24/53/59/351245359.db2.gz ABHBXMSZDFEYQY-CYBMUJFWSA-N 1 0 218.300 1.134 10 0 BDAERO C[C@@H]1C[NH2+]CCN1CC1CC(F)(F)C1 ZINC000306866654 351251763 /nfs/dbraw/zinc/25/17/63/351251763.db2.gz OFSLFZFZZYVISD-MRVPVSSYSA-N 1 0 204.264 1.325 10 0 BDAERO CCOC(=O)N1C[C@H](CC[NH3+])Nc2ccccc21 ZINC000616682808 351253510 /nfs/dbraw/zinc/25/35/10/351253510.db2.gz AFSMYVXQSVPKLH-JTQLQIEISA-N 1 0 249.314 1.792 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cnno1 ZINC000616683257 351254312 /nfs/dbraw/zinc/25/43/12/351254312.db2.gz MJQPEZKHRHTKFD-NSHDSACASA-N 1 0 245.286 1.002 10 0 BDAERO CCOC(=O)N1c2ccccc2NC[C@H]1CC[NH3+] ZINC000616685374 351254587 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248.326 1.330 10 0 BDAERO Nc1ncc(Cl)cc1[C@H](F)CC[NH3+] ZINC000130488694 363022264 /nfs/dbraw/zinc/02/22/64/363022264.db2.gz DCYSAPZMBAZCDE-SSDOTTSWSA-N 1 0 203.648 1.677 10 0 BDAERO CC[C@@H](Nc1ncncc1Cl)[C@@H](C)[NH3+] ZINC000306888566 351295368 /nfs/dbraw/zinc/29/53/68/351295368.db2.gz WJBMIKCUSWCGFB-HTRCEHHLSA-N 1 0 214.700 1.668 10 0 BDAERO [NH3+]CCOc1ccncc1Br ZINC000159986650 351300987 /nfs/dbraw/zinc/30/09/87/351300987.db2.gz YGDDFXAVIPPWGS-UHFFFAOYSA-N 1 0 217.066 1.182 10 0 BDAERO C[C@@H]1CCN(C2(C[NH3+])CSC2)[C@H]1C ZINC000306879494 351271267 /nfs/dbraw/zinc/27/12/67/351271267.db2.gz GKCCHKQTCALSEX-BDAKNGLRSA-N 1 0 200.351 1.161 10 0 BDAERO C[C@H]1CCN(C2(C[NH3+])CSC2)[C@H]1C ZINC000306879496 351271297 /nfs/dbraw/zinc/27/12/97/351271297.db2.gz GKCCHKQTCALSEX-IUCAKERBSA-N 1 0 200.351 1.161 10 0 BDAERO C[C@H]1CSCCN(C[C@@H]2CC[NH2+]2)C1 ZINC000306955951 351380364 /nfs/dbraw/zinc/38/03/64/351380364.db2.gz BWJAJACEQDFYNN-ZJUUUORDSA-N 1 0 200.351 1.033 10 0 BDAERO 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220.341 1.917 10 0 BDAERO Cn1cc(Br)c2c1cc[nH+]c2N ZINC000082360168 188003020 /nfs/dbraw/zinc/00/30/20/188003020.db2.gz CZJBZNZKMACNHB-UHFFFAOYSA-N 1 0 226.077 1.918 10 0 BDAERO C[C@@H]1CCN[C@@]2(CCC[NH2+][C@@H]2C)S1 ZINC000307722137 353110857 /nfs/dbraw/zinc/11/08/57/353110857.db2.gz XYGHURDMKPRWNH-BBBLOLIVSA-N 1 0 200.351 1.570 10 0 BDAERO CC(C)NC(=[NH2+])N[C@@H]1CS[C@H](C)C1 ZINC000307722518 353110952 /nfs/dbraw/zinc/11/09/52/353110952.db2.gz YOLUUSKIPKITBG-SFYZADRCSA-N 1 0 201.339 1.403 10 0 BDAERO C(c1noc(C2CCCC2)n1)N1CC[NH2+]CC1 ZINC000104057114 187978508 /nfs/dbraw/zinc/97/85/08/187978508.db2.gz VXZLLQGDNINUOY-UHFFFAOYSA-N 1 0 236.319 1.132 10 0 BDAERO CC(C)([NH3+])CCc1nc2cccnc2[nH]1 ZINC000050196349 187982056 /nfs/dbraw/zinc/98/20/56/187982056.db2.gz YYMJAZIBVRDFSJ-UHFFFAOYSA-N 1 0 204.277 1.628 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@@H]1C[NH3+] ZINC000638912450 353077733 /nfs/dbraw/zinc/07/77/33/353077733.db2.gz IXZRKVVCTHBRAO-LVEVGFFFSA-N 1 0 222.332 1.086 10 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ZINC000160066248 353127778 /nfs/dbraw/zinc/12/77/78/353127778.db2.gz HFGOSMFKERQPFA-UHFFFAOYSA-N 1 0 232.056 1.894 10 0 BDAERO CC(C)(C)S(=O)(=O)C/C=C1/CC[NH2+]C1 ZINC000232562343 353132423 /nfs/dbraw/zinc/13/24/23/353132423.db2.gz BCVVRMGRGIVFKH-UITAMQMPSA-N 1 0 217.334 1.119 10 0 BDAERO CCc1cnc(C[N@@H+]2CCC[C@@H]2CCCO)o1 ZINC000075684678 353142205 /nfs/dbraw/zinc/14/22/05/353142205.db2.gz SAPYRZNOUZAJDX-LLVKDONJSA-N 1 0 238.331 1.974 10 0 BDAERO C1CCC2(C1)[C@H]([NH2+][C@@H]1CCOC1)[C@@H]1CCO[C@H]12 ZINC000346218402 188052140 /nfs/dbraw/zinc/05/21/40/188052140.db2.gz UFIIKBXIAMKGMU-YVECIDJPSA-N 1 0 237.343 1.713 10 0 BDAERO [NH3+][C@@H](C1=COCCC1)[C@H]1CSCCS1 ZINC000160127837 353144033 /nfs/dbraw/zinc/14/40/33/353144033.db2.gz AZJGWBDZFKHRER-ZJUUUORDSA-N 1 0 231.386 1.857 10 0 BDAERO C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH+](C)C)C1 ZINC000229418925 353152118 /nfs/dbraw/zinc/15/21/18/353152118.db2.gz ZENFBHBBYLJUDA-GHMZBOCLSA-N 1 0 242.363 1.353 10 0 BDAERO CCCCN(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087121674 535206572 /nfs/dbraw/zinc/20/65/72/535206572.db2.gz RRBOKPBFQCOICO-WDEREUQCSA-N 1 0 212.337 1.633 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000120906417 323999429 /nfs/dbraw/zinc/99/94/29/323999429.db2.gz UEUUCWPAJGBMAU-RTXFEEFZSA-N 1 0 227.348 1.695 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CC1CCC1 ZINC000638998988 353245816 /nfs/dbraw/zinc/24/58/16/353245816.db2.gz XSCMIBWWMXTRNG-GXSJLCMTSA-N 1 0 212.337 1.809 10 0 BDAERO CCOc1ccc(N2C[C@H]([NH3+])CCC2=O)cc1 ZINC000084040903 538112872 /nfs/dbraw/zinc/11/28/72/538112872.db2.gz LSXROKFWKTVILY-SNVBAGLBSA-N 1 0 234.299 1.539 10 0 BDAERO C[C@@H]1CC[C@H](CN2CC[N@@H+]3CCC[C@@H]3C2)O1 ZINC000188547438 353252351 /nfs/dbraw/zinc/25/23/51/353252351.db2.gz KECVNABZAVYXTL-JHJVBQTASA-N 1 0 224.348 1.334 10 0 BDAERO OC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000311154551 538113207 /nfs/dbraw/zinc/11/32/07/538113207.db2.gz WTPATPSFYYZQPK-YUELXQCFSA-N 1 0 249.354 1.861 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C1CC1 ZINC000165303914 353294348 /nfs/dbraw/zinc/29/43/48/353294348.db2.gz VPAFITMQECIRRO-GXFFZTMASA-N 1 0 224.348 1.238 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C1CC1 ZINC000165304103 353294863 /nfs/dbraw/zinc/29/48/63/353294863.db2.gz VPAFITMQECIRRO-GWCFXTLKSA-N 1 0 224.348 1.238 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2oc(C)nc2C)c1 ZINC000311643842 538114661 /nfs/dbraw/zinc/11/46/61/538114661.db2.gz AGJNTJIAVSZXTE-UHFFFAOYSA-N 1 0 234.303 1.586 10 0 BDAERO CC(C)c1nc([C@@H]2COC[C@@H]2[NH3+])cs1 ZINC000165346672 353306749 /nfs/dbraw/zinc/30/67/49/353306749.db2.gz HXJCAVSDWVXFKK-SFYZADRCSA-N 1 0 212.318 1.708 10 0 BDAERO Nc1[nH+]ccn1Cc1ncc(Cl)s1 ZINC000223204060 353349301 /nfs/dbraw/zinc/34/93/01/353349301.db2.gz PCGZTPAMNMZSST-UHFFFAOYSA-N 1 0 214.681 1.624 10 0 BDAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCOCC1 ZINC000165414638 353352615 /nfs/dbraw/zinc/35/26/15/353352615.db2.gz BXSPPFLGUQXZQK-YPMHNXCESA-N 1 0 227.348 1.816 10 0 BDAERO CCc1csc(O[C@H]2CCC[C@H]2[NH3+])n1 ZINC000131586335 353371594 /nfs/dbraw/zinc/37/15/94/353371594.db2.gz PCPJLBACQWTYNQ-BDAKNGLRSA-N 1 0 212.318 1.964 10 0 BDAERO CC[C@H]1CN(c2cc(C)ncc2C#N)CC[C@@H]1[NH3+] ZINC000398984926 353421043 /nfs/dbraw/zinc/42/10/43/353421043.db2.gz HPFXUYVBZSXGHM-AAEUAGOBSA-N 1 0 244.342 1.825 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(N)=O ZINC000192353353 353547669 /nfs/dbraw/zinc/54/76/69/353547669.db2.gz PFGWXBOCXKVISI-VXGBXAGGSA-N 1 0 248.326 1.623 10 0 BDAERO Fc1ccc(F)c(CO[C@@H]2CC[NH2+]C2)c1 ZINC000051782815 180974075 /nfs/dbraw/zinc/97/40/75/180974075.db2.gz FDXOUDFEWRMPEB-SNVBAGLBSA-N 1 0 213.227 1.843 10 0 BDAERO CC(C)[C@@H](C)Sc1cc(N)nc(N)[nH+]1 ZINC000232814162 353581044 /nfs/dbraw/zinc/58/10/44/353581044.db2.gz YALLCAHRXFZAAB-ZCFIWIBFSA-N 1 0 212.322 1.778 10 0 BDAERO [NH3+]C1([C@@H]2CCSC2)CCC(O)CC1 ZINC000405497712 353611347 /nfs/dbraw/zinc/61/13/47/353611347.db2.gz QHCBPFGPVFRBGN-XNWIYYODSA-N 1 0 201.335 1.372 10 0 BDAERO C[C@@H](C[NH+]1C[C@@H](C)O[C@H](C)C1)C(N)=S ZINC000252434582 363247768 /nfs/dbraw/zinc/24/77/68/363247768.db2.gz QQVMAFPDUYOYNR-DJLDLDEBSA-N 1 0 216.350 1.018 10 0 BDAERO [NH3+]CC1([C@@H](O)[C@@H]2CCSC2)CCC1 ZINC000224722934 363244605 /nfs/dbraw/zinc/24/46/05/363244605.db2.gz RRFNQPRFPNOXPG-BDAKNGLRSA-N 1 0 201.335 1.229 10 0 BDAERO Cc1cnc(N[C@H](C)C[NH3+])c(Br)c1 ZINC000097845549 353753296 /nfs/dbraw/zinc/75/32/96/353753296.db2.gz NJHURVNKRUBCNW-SSDOTTSWSA-N 1 0 244.136 1.912 10 0 BDAERO Fc1ccccc1OCC[NH2+]C[C@@H]1CCOC1 ZINC000053566095 181014296 /nfs/dbraw/zinc/01/42/96/181014296.db2.gz VEGFDPWSGMDKOY-NSHDSACASA-N 1 0 239.290 1.831 10 0 BDAERO Fc1cccc2[nH]c([C@@H]3C[NH2+]CCO3)nc21 ZINC000043705111 181008089 /nfs/dbraw/zinc/00/80/89/181008089.db2.gz UUTIKRUVBFPZGU-VIFPVBQESA-N 1 0 221.235 1.363 10 0 BDAERO CC[C@](C)(C[NH3+])N1C[C@@H](C)OC[C@H]1C ZINC000252448498 363255326 /nfs/dbraw/zinc/25/53/26/363255326.db2.gz XFRVCCYHDIGNSV-GMTAPVOTSA-N 1 0 200.326 1.223 10 0 BDAERO Fc1cccnc1NCC1CC[NH2+]CC1 ZINC000054701028 181015698 /nfs/dbraw/zinc/01/56/98/181015698.db2.gz QHSGTTROLUDMJD-UHFFFAOYSA-N 1 0 209.268 1.632 10 0 BDAERO Fc1cnc(OC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095072029 181018655 /nfs/dbraw/zinc/01/86/55/181018655.db2.gz KOLDLOZEAUMINO-VIFPVBQESA-N 1 0 211.240 1.137 10 0 BDAERO C/C(=C\Cl)CN1CCCC[C@H]1C[NH3+] ZINC000308115324 354016065 /nfs/dbraw/zinc/01/60/65/354016065.db2.gz WZXQPJWYQRGATC-ZKXNXJMVSA-N 1 0 202.729 1.942 10 0 BDAERO Cc1cnc([C@H](C)[NH2+]C2CCOCC2)o1 ZINC000231531607 363344919 /nfs/dbraw/zinc/34/49/19/363344919.db2.gz KDZRUGLYWUGWKK-VIFPVBQESA-N 1 0 210.277 1.813 10 0 BDAERO CC1(C)C[C@H]1C(=O)Cc1c[nH+]ccc1N ZINC000232902745 354251944 /nfs/dbraw/zinc/25/19/44/354251944.db2.gz HJSSCJREZYPPRN-VIFPVBQESA-N 1 0 204.273 1.822 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCC1 ZINC000113225266 354253774 /nfs/dbraw/zinc/25/37/74/354253774.db2.gz OZNHVGCDJFYNBN-ZYHUDNBSSA-N 1 0 222.332 1.482 10 0 BDAERO Cc1cnccc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000334733660 354533956 /nfs/dbraw/zinc/53/39/56/354533956.db2.gz SUIHNEOEJBMTRB-GWCFXTLKSA-N 1 0 220.316 1.593 10 0 BDAERO Cl/C=C\C[NH+]1CCC2(CCO2)CC1 ZINC000308199636 354828964 /nfs/dbraw/zinc/82/89/64/354828964.db2.gz WTBUIBFYFVPKRT-KTAJNNJTSA-N 1 0 201.697 1.994 10 0 BDAERO CCc1ncnc(N[C@H](C)CC[NH3+])c1F ZINC000234173253 363415430 /nfs/dbraw/zinc/41/54/30/363415430.db2.gz ANELZJHVAQKIDW-SSDOTTSWSA-N 1 0 212.272 1.327 10 0 BDAERO CCc1ncnc(NC[C@@H](C)C[NH3+])c1F ZINC000234167917 363415709 /nfs/dbraw/zinc/41/57/09/363415709.db2.gz PIRIJOZGWLGTDT-ZETCQYMHSA-N 1 0 212.272 1.185 10 0 BDAERO CC[C@@H]([NH3+])CNc1nccc2occc21 ZINC000233893585 363409411 /nfs/dbraw/zinc/40/94/11/363409411.db2.gz XDDPCBGLFFXKDM-MRVPVSSYSA-N 1 0 205.261 1.977 10 0 BDAERO C([C@@H]1CCC[NH2+]C1)N1CCOCC12CCC2 ZINC000335205994 355041257 /nfs/dbraw/zinc/04/12/57/355041257.db2.gz FXCGOLFGPNRXNC-GFCCVEGCSA-N 1 0 224.348 1.241 10 0 BDAERO Cc1occc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235674142 363449765 /nfs/dbraw/zinc/44/97/65/363449765.db2.gz LFZOYYNTEUVGIQ-XVKPBYJWSA-N 1 0 208.261 1.007 10 0 BDAERO NC(=[NH2+])CCN(Cc1ccccc1)C1CC1 ZINC000042547910 181187078 /nfs/dbraw/zinc/18/70/78/181187078.db2.gz BLPMTMTUXSLTAY-UHFFFAOYSA-N 1 0 217.316 1.977 10 0 BDAERO [NH3+][C@H]1CCCO[C@@H]1c1ncc(Cl)s1 ZINC000223334202 355370449 /nfs/dbraw/zinc/37/04/49/355370449.db2.gz YXGKBCFMQUGSLL-FSPLSTOPSA-N 1 0 218.709 1.975 10 0 BDAERO NC(=[NH2+])Nc1ccc(O)c2ncccc12 ZINC000169409162 181191424 /nfs/dbraw/zinc/19/14/24/181191424.db2.gz UADISHZIVFYADY-UHFFFAOYSA-N 1 0 202.217 1.246 10 0 BDAERO NC(=[NH2+])c1c(F)cccc1N1CCC[C@@H]1CO ZINC000062566075 181192601 /nfs/dbraw/zinc/19/26/01/181192601.db2.gz LKJTWKYKKIVAOP-MRVPVSSYSA-N 1 0 237.278 1.071 10 0 BDAERO NC(=[NH2+])c1cc(-n2ccc(C3CC3)n2)ccn1 ZINC000061814442 181194390 /nfs/dbraw/zinc/19/43/90/181194390.db2.gz JQXAHUDSCPOEGR-UHFFFAOYSA-N 1 0 227.271 1.429 10 0 BDAERO NC(=[NH2+])c1cccnc1OC[C@@H]1CCCCO1 ZINC000019434886 181196470 /nfs/dbraw/zinc/19/64/70/181196470.db2.gz DEYMQBPXCRZTDL-VIFPVBQESA-N 1 0 235.287 1.314 10 0 BDAERO C[C@@H]1CCN[C@]2(CCC[N@H+](C)C2)S1 ZINC000134357836 355502021 /nfs/dbraw/zinc/50/20/21/355502021.db2.gz GJEKISWXZYDEPI-NXEZZACHSA-N 1 0 200.351 1.523 10 0 BDAERO NC(=[NH2+])c1cccnc1OC1CCCC1 ZINC000019474101 181195864 /nfs/dbraw/zinc/19/58/64/181195864.db2.gz LXKQEWOYKBWDLI-UHFFFAOYSA-N 1 0 205.261 1.687 10 0 BDAERO CC[C@@H]([NH3+])[C@@H]1Cc2c(cccc2F)C1=O ZINC000166482554 355531774 /nfs/dbraw/zinc/53/17/74/355531774.db2.gz FEZBRYWAZORPGY-GXSJLCMTSA-N 1 0 207.248 1.918 10 0 BDAERO NC(=[NH2+])c1ccnc(N2CCCCCC2)c1 ZINC000019486465 181197378 /nfs/dbraw/zinc/19/73/78/181197378.db2.gz COQOOUYMQFQUFS-UHFFFAOYSA-N 1 0 218.304 1.746 10 0 BDAERO NC(=[NH2+])c1ccnc(OCc2ccco2)c1 ZINC000019504556 181197529 /nfs/dbraw/zinc/19/75/29/181197529.db2.gz YFWDTCCPDXPVBZ-UHFFFAOYSA-N 1 0 217.228 1.538 10 0 BDAERO C[C@]1(O)CCC[N@H+](CC2(O)CCC2)CC1 ZINC000335841113 355584596 /nfs/dbraw/zinc/58/45/96/355584596.db2.gz DEDGGLOZIXJXLW-NSHDSACASA-N 1 0 213.321 1.138 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000389069139 355606530 /nfs/dbraw/zinc/60/65/30/355606530.db2.gz LWCMFWQSUDNILN-AGIUHOORSA-N 1 0 226.364 1.485 10 0 BDAERO CCc1ncnc(N[C@H]2CC[N@@H+](CC)C2)c1F ZINC000389117211 355693721 /nfs/dbraw/zinc/69/37/21/355693721.db2.gz BKISMYOXAYFZNQ-VIFPVBQESA-N 1 0 238.310 1.684 10 0 BDAERO Cc1nc(C)c(CNC(=O)[C@@]2(C)CCC[NH2+]2)o1 ZINC000393962410 355679888 /nfs/dbraw/zinc/67/98/88/355679888.db2.gz VQCCQHLHDNMUFB-GFCCVEGCSA-N 1 0 237.303 1.050 10 0 BDAERO [NH3+]C[C@H]1CO[C@H](c2ncc(Cl)s2)O1 ZINC000223348601 355739025 /nfs/dbraw/zinc/73/90/25/355739025.db2.gz XKBCLNVZNZUKIB-FFWSUHOLSA-N 1 0 220.681 1.169 10 0 BDAERO COc1cc(C[NH2+]C2CC(CO)C2)sn1 ZINC000639335991 355768480 /nfs/dbraw/zinc/76/84/80/355768480.db2.gz ZKCVPJLTKHHPPW-UHFFFAOYSA-N 1 0 228.317 1.012 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@]2(CCOC2)C1 ZINC000191546544 355731970 /nfs/dbraw/zinc/73/19/70/355731970.db2.gz PNZNTRMFVUEUMC-LBPRGKRZSA-N 1 0 212.337 1.097 10 0 BDAERO [NH3+]C1CCC(C(=O)c2cncnc2)CC1 ZINC000168502575 355862128 /nfs/dbraw/zinc/86/21/28/355862128.db2.gz JDZMKYBDAGGBRQ-UHFFFAOYSA-N 1 0 205.261 1.177 10 0 BDAERO FC1(C[NH2+]C[C@@H]2CCc3nccn3C2)CC1 ZINC000379460260 358499246 /nfs/dbraw/zinc/49/92/46/358499246.db2.gz RPRGGXIMJJPMBG-JTQLQIEISA-N 1 0 223.295 1.537 10 0 BDAERO CCc1cc(N[C@@H]2CC[N@@H+](CC)C2)nc(C)n1 ZINC000389215367 355884412 /nfs/dbraw/zinc/88/44/12/355884412.db2.gz CRJCVDWDSRBPEK-GFCCVEGCSA-N 1 0 234.347 1.854 10 0 BDAERO NC(=O)CCNC1=[NH+]C2(CS1)CCCCC2 ZINC000053097889 181225384 /nfs/dbraw/zinc/22/53/84/181225384.db2.gz BWIZTKGFIQTSRG-UHFFFAOYSA-N 1 0 241.360 1.257 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc2[nH]ccc2c1 ZINC000044253157 181241685 /nfs/dbraw/zinc/24/16/85/181241685.db2.gz UOAJEOZWYZHLGM-SECBINFHSA-N 1 0 203.245 1.043 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cc(Br)cs1 ZINC000020577857 181242073 /nfs/dbraw/zinc/24/20/73/181242073.db2.gz SVXFPPZIXIHKJI-RXMQYKEDSA-N 1 0 249.133 1.386 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000020578274 181245227 /nfs/dbraw/zinc/24/52/27/181245227.db2.gz IPCRPXPGFIBJDK-ZETCQYMHSA-N 1 0 233.098 1.869 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1cccc2cc[nH]c21 ZINC000044252562 181245266 /nfs/dbraw/zinc/24/52/66/181245266.db2.gz VJDMIPJMDPTUCD-VIFPVBQESA-N 1 0 203.245 1.043 10 0 BDAERO CCOC(=O)COCC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000351720235 356070619 /nfs/dbraw/zinc/07/06/19/356070619.db2.gz SSAIMZWERCHPHL-QWRGUYRKSA-N 1 0 227.304 1.050 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020578097 181245362 /nfs/dbraw/zinc/24/53/62/181245362.db2.gz JTUQGZMWWBXOFU-QMMMGPOBSA-N 1 0 233.098 1.869 10 0 BDAERO C[C@H]1C[N@H+](CC2(O)CCC2)CCS1 ZINC000335915883 356155815 /nfs/dbraw/zinc/15/58/15/356155815.db2.gz KJVQNIMJCRVASB-VIFPVBQESA-N 1 0 201.335 1.339 10 0 BDAERO [NH3+]C[C@H](Nc1ncnc2[nH]ccc21)C1CCCC1 ZINC000420282160 192200541 /nfs/dbraw/zinc/20/05/41/192200541.db2.gz RYQVXGQJROUMAV-NSHDSACASA-N 1 0 245.330 1.887 10 0 BDAERO NC(=O)[C@@H]([NH2+]CC1CC1)c1ccc(F)c(F)c1 ZINC000038000868 181264696 /nfs/dbraw/zinc/26/46/96/181264696.db2.gz PTSBWBRTXUSIBH-NSHDSACASA-N 1 0 240.253 1.491 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)c1cccc(O)c1 ZINC000037969756 181264937 /nfs/dbraw/zinc/26/49/37/181264937.db2.gz DMDRKKRFKKBMSP-ZDUSSCGKSA-N 1 0 248.326 1.841 10 0 BDAERO NC(=O)[C@@H]1C[NH2+]C[C@@H](c2cccc(F)c2)C1 ZINC000082163281 181272372 /nfs/dbraw/zinc/27/23/72/181272372.db2.gz YEPSPFNXYQYGDY-UWVGGRQHSA-N 1 0 222.263 1.004 10 0 BDAERO c1ccc(CCCN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000420403971 192238650 /nfs/dbraw/zinc/23/86/50/192238650.db2.gz LVKLTPADDLFIOL-LSDHHAIUSA-N 1 0 246.354 1.292 10 0 BDAERO COc1ncc(C)c([C@@H]2CCC[NH2+]C2)n1 ZINC000049587270 356491601 /nfs/dbraw/zinc/49/16/01/356491601.db2.gz KGTJHUUUIJSMEA-SECBINFHSA-N 1 0 207.277 1.261 10 0 BDAERO NC(=O)c1c(Cl)cccc1N[C@H]1CC[NH2+]C1 ZINC000052906424 181286131 /nfs/dbraw/zinc/28/61/31/181286131.db2.gz RYGRHWGRDWUNED-ZETCQYMHSA-N 1 0 239.706 1.213 10 0 BDAERO NC(=O)[C@]1([NH2+]C2CCCCCC2)CCSC1 ZINC000037970448 181284527 /nfs/dbraw/zinc/28/45/27/181284527.db2.gz LYBXYMGXNNNNFA-LBPRGKRZSA-N 1 0 242.388 1.660 10 0 BDAERO CCn1nccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179547934 366267994 /nfs/dbraw/zinc/26/79/94/366267994.db2.gz DJLGCHJLAPVKNN-GFCCVEGCSA-N 1 0 234.347 1.183 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@]2(C[NH3+])C[C@@H]12 ZINC000083323414 538468205 /nfs/dbraw/zinc/46/82/05/538468205.db2.gz GINXHIFJXMDZAH-SKDRFNHKSA-N 1 0 226.320 1.735 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2CCCN(CCO)C2)c1 ZINC000384362862 356621812 /nfs/dbraw/zinc/62/18/12/356621812.db2.gz HZEFWPMLNOFESU-OAHLLOKOSA-N 1 0 248.370 1.541 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2cocn2)C1 ZINC000380341768 538466013 /nfs/dbraw/zinc/46/60/13/538466013.db2.gz RUTHWXLDVYKTJL-GXSJLCMTSA-N 1 0 209.293 1.104 10 0 BDAERO CCCc1nccnc1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000630094759 363540831 /nfs/dbraw/zinc/54/08/31/363540831.db2.gz YBNGZFFKNUZWGY-GHMZBOCLSA-N 1 0 234.347 1.403 10 0 BDAERO CC[C@@]1(C[NH3+])CN(C(=O)[C@@H](C)C(C)C)CCO1 ZINC000675059121 538483325 /nfs/dbraw/zinc/48/33/25/538483325.db2.gz KUQJQRQYOXEPHB-WCQYABFASA-N 1 0 242.363 1.245 10 0 BDAERO c1sc(-c2ccnnc2)nc1C[NH2+]C1CC1 ZINC000675050942 538473160 /nfs/dbraw/zinc/47/31/60/538473160.db2.gz CLGHTRUGXAWMBW-UHFFFAOYSA-N 1 0 232.312 1.852 10 0 BDAERO CC(C)(C)C(=O)N1CC([NH2+]C2CCC2)C1 ZINC000675055544 538475961 /nfs/dbraw/zinc/47/59/61/538475961.db2.gz VQNKPAQKPOSIAA-UHFFFAOYSA-N 1 0 210.321 1.385 10 0 BDAERO CCC[C@@H](C)C(=O)N1CC([NH2+]C2CCC2)C1 ZINC000675055573 538475975 /nfs/dbraw/zinc/47/59/75/538475975.db2.gz WRYCBDQFEGGKMU-SNVBAGLBSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]([C@@H]2CCCS(=O)(=O)C2)C1 ZINC000675059239 538483958 /nfs/dbraw/zinc/48/39/58/538483958.db2.gz FATPORRAWPANHJ-AXFHLTTASA-N 1 0 231.361 1.057 10 0 BDAERO C[C@@H](CO)CCC[NH2+]C[C@H](O)C(C)(C)C ZINC000389410539 356642131 /nfs/dbraw/zinc/64/21/31/356642131.db2.gz OSOFSYORUSLJKH-MNOVXSKESA-N 1 0 217.353 1.392 10 0 BDAERO Cc1cc(F)ccc1[C@@H]1CC[NH2+]C[C@@H]1N ZINC000675056181 538477590 /nfs/dbraw/zinc/47/75/90/538477590.db2.gz LDLKJEYHKLFKTK-RYUDHWBXSA-N 1 0 208.280 1.538 10 0 BDAERO O=S1(=O)CC2(C1)CCC([NH2+]C1CC1)CC2 ZINC000675056143 538477603 /nfs/dbraw/zinc/47/76/03/538477603.db2.gz DIOBAKZEVSNUAM-UHFFFAOYSA-N 1 0 229.345 1.096 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])c1nc(C(F)F)n[nH]1 ZINC000675061009 538486747 /nfs/dbraw/zinc/48/67/47/538486747.db2.gz VIKGZPQYZZFVSZ-RFZPGFLSSA-N 1 0 204.224 1.788 10 0 BDAERO CCCC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675070067 538499874 /nfs/dbraw/zinc/49/98/74/538499874.db2.gz KWNYJHBRMSTJAH-VPOLOUISSA-N 1 0 210.321 1.276 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070172 538500010 /nfs/dbraw/zinc/50/00/10/538500010.db2.gz MXCXPJKUVJDMGM-DMDPSCGWSA-N 1 0 224.348 1.537 10 0 BDAERO COc1ccc(F)c2cc(C[NH3+])c(=O)[nH]c12 ZINC000675070180 538500378 /nfs/dbraw/zinc/50/03/78/538500378.db2.gz QXQCUNSUUZHEHU-UHFFFAOYSA-N 1 0 222.219 1.547 10 0 BDAERO CC(C)(C)NC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675070677 538500720 /nfs/dbraw/zinc/50/07/20/538500720.db2.gz RKPGNNLQXZXVMC-GWOFURMSSA-N 1 0 239.363 1.458 10 0 BDAERO CCC[C@@H](C)C(=O)N(C1C[NH2+]C1)[C@H]1CCOC1 ZINC000675071017 538502282 /nfs/dbraw/zinc/50/22/82/538502282.db2.gz VOYMHCSQSYNDNS-MNOVXSKESA-N 1 0 240.347 1.012 10 0 BDAERO CCCCNC(=O)Nc1nc(C[NH3+])cs1 ZINC000675072377 538503713 /nfs/dbraw/zinc/50/37/13/538503713.db2.gz BWLLRECJFOSDQV-UHFFFAOYSA-N 1 0 228.321 1.523 10 0 BDAERO CC[C@@H](C)C[NH2+]C[C@H]1CCCCNC1=O ZINC000675075651 538509871 /nfs/dbraw/zinc/50/98/71/538509871.db2.gz SYICYSONUNSCNK-GHMZBOCLSA-N 1 0 212.337 1.538 10 0 BDAERO CCc1cn2c(n1)[C@H](CCF)[NH2+]CCC2 ZINC000675068917 538497544 /nfs/dbraw/zinc/49/75/44/538497544.db2.gz UAORVPOIVNZNOM-JTQLQIEISA-N 1 0 211.284 1.840 10 0 BDAERO Cc1ccc(C2=C[C@@H](O)C[NH2+]C2)cc1F ZINC000675076307 538511118 /nfs/dbraw/zinc/51/11/18/538511118.db2.gz AWKVEHOFKNYABG-LLVKDONJSA-N 1 0 207.248 1.482 10 0 BDAERO O[C@@H]1C=C(c2ccc(F)c(Cl)c2)C[NH2+]C1 ZINC000675076388 538511134 /nfs/dbraw/zinc/51/11/34/538511134.db2.gz CHOPMXPUGDUYNL-SECBINFHSA-N 1 0 227.666 1.827 10 0 BDAERO O[C@H]1C=C(CCC(F)(F)Cl)C[NH2+]C1 ZINC000675076759 538511144 /nfs/dbraw/zinc/51/11/44/538511144.db2.gz GFIKVZVLKARZHI-ZETCQYMHSA-N 1 0 211.639 1.489 10 0 BDAERO CSc1ccc(C2=C[C@H](O)C[NH2+]C2)cc1 ZINC000675076383 538511150 /nfs/dbraw/zinc/51/11/50/538511150.db2.gz CDUWTTHDDOFATJ-NSHDSACASA-N 1 0 221.325 1.756 10 0 BDAERO CC(C)NC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675069437 538498243 /nfs/dbraw/zinc/49/82/43/538498243.db2.gz HNMGIANVSWINLO-LMLFDSFASA-N 1 0 225.336 1.067 10 0 BDAERO C[NH2+][C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000675069266 538498719 /nfs/dbraw/zinc/49/87/19/538498719.db2.gz DOHCUVCZLBELGV-NSHDSACASA-N 1 0 234.299 1.016 10 0 BDAERO N[C@H]1C=C(Cc2ccncc2Cl)C[NH2+]C1 ZINC000675077428 538513483 /nfs/dbraw/zinc/51/34/83/538513483.db2.gz FAFGBNPWMLJFLW-JTQLQIEISA-N 1 0 223.707 1.134 10 0 BDAERO O[C@@H]1C=C(Cc2ncccc2Cl)C[NH2+]C1 ZINC000675077693 538513717 /nfs/dbraw/zinc/51/37/17/538513717.db2.gz QSYJPZHVESNEQB-SECBINFHSA-N 1 0 224.691 1.168 10 0 BDAERO N[C@@H]1C=C(Cc2ccsc2Cl)C[NH2+]C1 ZINC000675077418 538513738 /nfs/dbraw/zinc/51/37/38/538513738.db2.gz DYFXETWSNPTFIF-SECBINFHSA-N 1 0 228.748 1.801 10 0 BDAERO COc1cccc(C2=C[C@H](O)C[NH2+]C2)c1 ZINC000675077759 538514106 /nfs/dbraw/zinc/51/41/06/538514106.db2.gz RFSZURWUMOASRR-NSHDSACASA-N 1 0 205.257 1.043 10 0 BDAERO [NH3+]C[C@@H]1C[C@@]1(CO)c1ccccc1Cl ZINC000675077831 538514175 /nfs/dbraw/zinc/51/41/75/538514175.db2.gz JAUZVXAEGQPQQW-KWQFWETISA-N 1 0 211.692 1.549 10 0 BDAERO [NH3+]CC[C@H](O)c1cc(F)cc(Br)c1 ZINC000083557791 538514287 /nfs/dbraw/zinc/51/42/87/538514287.db2.gz LTKZXVAVIYLNSF-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+][C@H]1C=C(c2sccc2Cl)CNC1 ZINC000675078015 538515135 /nfs/dbraw/zinc/51/51/35/538515135.db2.gz LXCWCCUZEIEBCV-ZETCQYMHSA-N 1 0 214.721 1.715 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H](C)c2nccnc2C)C1 ZINC000389501831 356695459 /nfs/dbraw/zinc/69/54/59/356695459.db2.gz CHGFBMLZNIYUHV-VXGBXAGGSA-N 1 0 234.347 1.530 10 0 BDAERO O[C@H]1C=C(c2cscc2Cl)C[NH2+]C1 ZINC000675077861 538515661 /nfs/dbraw/zinc/51/56/61/538515661.db2.gz SMNWHDXUSYQSIE-ZETCQYMHSA-N 1 0 215.705 1.749 10 0 BDAERO N[C@H]1C=C(C[C@@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675078841 538515762 /nfs/dbraw/zinc/51/57/62/538515762.db2.gz URNNAOKQCKSRIQ-UWVGGRQHSA-N 1 0 216.275 1.669 10 0 BDAERO [NH3+][C@H]1C=C(c2ccc(Cl)s2)CNC1 ZINC000675079406 538517493 /nfs/dbraw/zinc/51/74/93/538517493.db2.gz YIRSLBFIUOSNRE-ZETCQYMHSA-N 1 0 214.721 1.715 10 0 BDAERO Cc1nc(C)c(C2=C[C@@H]([NH3+])CNC2)s1 ZINC000675079333 538517782 /nfs/dbraw/zinc/51/77/82/538517782.db2.gz XSTNKWLTRFYOPG-SECBINFHSA-N 1 0 209.318 1.074 10 0 BDAERO O[C@@H]1C=C(Cc2csc(Cl)c2)C[NH2+]C1 ZINC000675077008 538511987 /nfs/dbraw/zinc/51/19/87/538511987.db2.gz IKQLOOWPMNVKNX-SECBINFHSA-N 1 0 229.732 1.835 10 0 BDAERO CO[C@@H]1CCC[C@@H](C2=C[C@@H](O)C[NH2+]C2)C1 ZINC000675077297 538512047 /nfs/dbraw/zinc/51/20/47/538512047.db2.gz KYFJRCVMAPVHPD-YUSALJHKSA-N 1 0 211.305 1.082 10 0 BDAERO O[C@@H]1C=C(c2cccc(F)c2F)C[NH2+]C1 ZINC000675077279 538512519 /nfs/dbraw/zinc/51/25/19/538512519.db2.gz KTWONUPVYOYUAK-MRVPVSSYSA-N 1 0 211.211 1.312 10 0 BDAERO O[C@H]1C=C(c2ccc(C3CC3)s2)C[NH2+]C1 ZINC000675076856 538512729 /nfs/dbraw/zinc/51/27/29/538512729.db2.gz GPPMSRNXDOGCFO-JTQLQIEISA-N 1 0 221.325 1.973 10 0 BDAERO O=C(C[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000086499798 538556252 /nfs/dbraw/zinc/55/62/52/538556252.db2.gz QWXDIVPHRKSLKD-MRVPVSSYSA-N 1 0 210.302 1.858 10 0 BDAERO Cn1cc([C@@H]([NH3+])[C@@]2(C)CCCS2)cn1 ZINC000160409602 356706219 /nfs/dbraw/zinc/70/62/19/356706219.db2.gz XOYPDGADJFXDQB-NXEZZACHSA-N 1 0 211.334 1.706 10 0 BDAERO Cn1cnc2c1[C@H](C1CCCC1)[NH2+]CC2 ZINC000083986046 538525713 /nfs/dbraw/zinc/52/57/13/538525713.db2.gz ASVJPRBGNFQDLX-NSHDSACASA-N 1 0 205.305 1.797 10 0 BDAERO Oc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000084258725 538528587 /nfs/dbraw/zinc/52/85/87/538528587.db2.gz ZSGKNTYQRONWQG-NSHDSACASA-N 1 0 215.256 1.350 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CCC1(C)C ZINC000084237595 538529265 /nfs/dbraw/zinc/52/92/65/538529265.db2.gz YFWWYSXNDODXMP-SECBINFHSA-N 1 0 228.336 1.899 10 0 BDAERO C[C@H]1C[NH2+]CC[C@H]1CNC(=O)NC(C)(C)C ZINC000129811855 538579290 /nfs/dbraw/zinc/57/92/90/538579290.db2.gz ZIHUJLSXYHEGTN-UWVGGRQHSA-N 1 0 227.352 1.330 10 0 BDAERO COC(OC)C(=O)C[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000130354720 538587884 /nfs/dbraw/zinc/58/78/84/538587884.db2.gz CEPMPPORWVJIEM-IUCAKERBSA-N 1 0 215.293 1.095 10 0 BDAERO C[C@@H]1COC[C@H](CC(=O)c2cscn2)[NH2+]1 ZINC000130389040 538590222 /nfs/dbraw/zinc/59/02/22/538590222.db2.gz HSGRIWJHGKEXFB-SFYZADRCSA-N 1 0 226.301 1.093 10 0 BDAERO C[C@H]1COC[C@H](CC(=O)c2ccoc2)[NH2+]1 ZINC000130366965 538590853 /nfs/dbraw/zinc/59/08/53/538590853.db2.gz VKVOLYLDLZXEQC-WPRPVWTQSA-N 1 0 209.245 1.229 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000163073366 202170037 /nfs/dbraw/zinc/17/00/37/202170037.db2.gz VTZCDNKIRKPABD-NSHDSACASA-N 1 0 215.337 1.384 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cn[nH]c1 ZINC000386583717 538695099 /nfs/dbraw/zinc/69/50/99/538695099.db2.gz HYGKHYBGASTDCO-HZSPNIEDSA-N 1 0 249.358 1.925 10 0 BDAERO NC(=O)c1cc(Cl)ccc1N[C@H]1CC[NH2+]C1 ZINC000052858820 181289046 /nfs/dbraw/zinc/28/90/46/181289046.db2.gz DONCCYCDUWQOQF-QMMMGPOBSA-N 1 0 239.706 1.213 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CCN1C ZINC000155865663 538737660 /nfs/dbraw/zinc/73/76/60/538737660.db2.gz VKOBQQPVVGITRH-LPWJVIDDSA-N 1 0 226.364 1.362 10 0 BDAERO C[C@H]([NH3+])C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000041639994 358513388 /nfs/dbraw/zinc/51/33/88/358513388.db2.gz GEYBIKNPOPGISO-GWCFXTLKSA-N 1 0 244.294 1.832 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389531879 356970655 /nfs/dbraw/zinc/97/06/55/356970655.db2.gz IOUUZYDMMJCZQR-RNJOBUHISA-N 1 0 226.364 1.626 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)[C@H](C)OC)C1 ZINC000389537772 356982106 /nfs/dbraw/zinc/98/21/06/356982106.db2.gz JODBXVXWTFLSPK-VWYCJHECSA-N 1 0 200.326 1.094 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H](C)c2cncs2)C1 ZINC000389526993 356948704 /nfs/dbraw/zinc/94/87/04/356948704.db2.gz HVGXZCCLHVSSGF-NXEZZACHSA-N 1 0 225.361 1.888 10 0 BDAERO Cc1cnc(N[C@@H]2C[NH2+]CC[C@H]2C)nc1C ZINC000389747504 357022858 /nfs/dbraw/zinc/02/28/58/357022858.db2.gz HWWAFSNKIKOSEM-LDYMZIIASA-N 1 0 220.320 1.503 10 0 BDAERO C[C@@H](C[NH2+]C[C@@H](O)C1CCCCC1)N(C)C ZINC000390475709 357095512 /nfs/dbraw/zinc/09/55/12/357095512.db2.gz KQXBERSEBKGIGX-WCQYABFASA-N 1 0 228.380 1.467 10 0 BDAERO CC1(C)CN(CC(F)(F)F)CC[C@H]1[NH3+] ZINC000261527839 535353784 /nfs/dbraw/zinc/35/37/84/535353784.db2.gz HTVIESAOEBPJPS-SSDOTTSWSA-N 1 0 210.243 1.608 10 0 BDAERO CC(C)[C@H](C)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000585378382 538800822 /nfs/dbraw/zinc/80/08/22/538800822.db2.gz AZXIZXNUUHMVLS-JTQLQIEISA-N 1 0 233.377 1.540 10 0 BDAERO C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]2)CS1 ZINC000300055020 357180850 /nfs/dbraw/zinc/18/08/50/357180850.db2.gz GNZSMTUOYDKYAH-GMTAPVOTSA-N 1 0 214.378 1.564 10 0 BDAERO C[C@@H](O)CC(C)(C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000393587431 357288390 /nfs/dbraw/zinc/28/83/90/357288390.db2.gz BJEIHZIGTDPFKB-MNOVXSKESA-N 1 0 231.380 1.780 10 0 BDAERO CC[C@H](CCO)[NH2+]C[C@H](O)C(C)(C)C ZINC000393661371 357291756 /nfs/dbraw/zinc/29/17/56/357291756.db2.gz URRYVGQAGOFDHR-ZJUUUORDSA-N 1 0 203.326 1.144 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC000393783155 357299565 /nfs/dbraw/zinc/29/95/65/357299565.db2.gz UWVUOPALTLAFQT-SEQHWMEXSA-N 1 0 210.321 1.228 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC1(C2CC2)CCC1 ZINC000393321162 357280817 /nfs/dbraw/zinc/28/08/17/357280817.db2.gz KIYCWJAUBPBCOH-SECBINFHSA-N 1 0 210.321 1.291 10 0 BDAERO CCOc1nccnc1N[C@H](C)CCCC[NH3+] ZINC000583015010 357460773 /nfs/dbraw/zinc/46/07/73/357460773.db2.gz COVPYYIFFKKWNR-SNVBAGLBSA-N 1 0 238.335 1.227 10 0 BDAERO CCCC1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CCC1 ZINC000188678890 357571790 /nfs/dbraw/zinc/57/17/90/357571790.db2.gz DECYNWNWXQLCNY-WDEREUQCSA-N 1 0 242.338 1.773 10 0 BDAERO CC(C)NC(=O)C[NH2+]CC1CCC(C)CC1 ZINC000063145447 357534120 /nfs/dbraw/zinc/53/41/20/357534120.db2.gz RDNAXSBOHOGDEB-UHFFFAOYSA-N 1 0 226.364 1.927 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)Nc1cccc(F)c1 ZINC000063170741 357551782 /nfs/dbraw/zinc/55/17/82/357551782.db2.gz KJEOSZWNLBZSJP-MRVPVSSYSA-N 1 0 225.267 1.685 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@]2(C)CC[NH2+]C2)o1 ZINC000231744424 357623718 /nfs/dbraw/zinc/62/37/18/357623718.db2.gz VWHZNAHGXPRPPN-BXKDBHETSA-N 1 0 237.303 1.160 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC000230955125 357586252 /nfs/dbraw/zinc/58/62/52/357586252.db2.gz RXDYQDIHKDXYRN-SNVBAGLBSA-N 1 0 224.279 1.425 10 0 BDAERO Cc1oncc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188971238 357598607 /nfs/dbraw/zinc/59/86/07/357598607.db2.gz ZQBOXMVHDHOQAW-GFCCVEGCSA-N 1 0 221.304 1.263 10 0 BDAERO CCC(C)(CC)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000158955128 538871377 /nfs/dbraw/zinc/87/13/77/538871377.db2.gz BZSHEECQPWXPKF-NSHDSACASA-N 1 0 226.364 1.975 10 0 BDAERO C/C=C(\C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000685939295 538886221 /nfs/dbraw/zinc/88/62/21/538886221.db2.gz ROJZEPYPNMYRPS-VIXUHMKYSA-N 1 0 208.305 1.306 10 0 BDAERO C/C=C/C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000685939267 538886459 /nfs/dbraw/zinc/88/64/59/538886459.db2.gz NTMBXHZODBKSDL-VMSBINOKSA-N 1 0 244.338 1.824 10 0 BDAERO CCC(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000685945838 538887236 /nfs/dbraw/zinc/88/72/36/538887236.db2.gz CJOWFUVAMVAAIW-JGVFFNPUSA-N 1 0 238.253 1.525 10 0 BDAERO CC(=O)N1c2ccccc2CCC[C@H]1C[NH3+] ZINC000685945908 538887509 /nfs/dbraw/zinc/88/75/09/538887509.db2.gz FVRMSBVCSIXXJM-LBPRGKRZSA-N 1 0 218.300 1.703 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@H]1c1cccc(N)c1 ZINC000685946336 538887949 /nfs/dbraw/zinc/88/79/49/538887949.db2.gz PNWZMAFXKUGOPA-RYUDHWBXSA-N 1 0 205.305 1.063 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000685947207 538888783 /nfs/dbraw/zinc/88/87/83/538888783.db2.gz GVXQBUURFYVNLB-RGOKHQFPSA-N 1 0 211.305 1.702 10 0 BDAERO CC(C)CC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000685947161 538888922 /nfs/dbraw/zinc/88/89/22/538888922.db2.gz SEHQQHNCCPRHAB-PWSUYJOCSA-N 1 0 210.321 1.372 10 0 BDAERO CCCNC(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947206 538888947 /nfs/dbraw/zinc/88/89/47/538888947.db2.gz GVCMZIWSKYYZOA-UHFFFAOYSA-N 1 0 213.325 1.356 10 0 BDAERO Cc1cc([C@H]2C[NH2+]C[C@]2(C)N)ccc1F ZINC000685947002 538889012 /nfs/dbraw/zinc/88/90/12/538889012.db2.gz YYDPJUMKHXRHMB-PWSUYJOCSA-N 1 0 208.280 1.538 10 0 BDAERO CCC(C)(C)NC(=O)N1CCC[C@]1(C)C[NH3+] ZINC000685947750 538889561 /nfs/dbraw/zinc/88/95/61/538889561.db2.gz PAQUQDSRLPNRRB-GFCCVEGCSA-N 1 0 227.352 1.698 10 0 BDAERO CC[C@@]1(NC(=O)C2(C)CC2)CCC[NH2+]C1 ZINC000685947670 538889706 /nfs/dbraw/zinc/88/97/06/538889706.db2.gz QHGMYKJGYSDFOB-GFCCVEGCSA-N 1 0 210.321 1.435 10 0 BDAERO CCOC(=O)C1([C@H]([NH3+])CC)CCOCC1 ZINC000685948007 538889814 /nfs/dbraw/zinc/88/98/14/538889814.db2.gz UYZIUMIBGZQQNJ-SECBINFHSA-N 1 0 215.293 1.084 10 0 BDAERO C[N@H+](C1CCCCC1)[C@H]1CCNC[C@H]1F ZINC000685948372 538890274 /nfs/dbraw/zinc/89/02/74/538890274.db2.gz KZEKDVNQUXCRPN-NEPJUHHUSA-N 1 0 214.328 1.951 10 0 BDAERO OC1(C[NH2+]C2CCC2)CCC2(CC1)OCCO2 ZINC000685949103 538892090 /nfs/dbraw/zinc/89/20/90/538892090.db2.gz IDIXQQQGEBRJPP-UHFFFAOYSA-N 1 0 241.331 1.177 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC1CC(C[NH3+])C1 ZINC000685949247 538892304 /nfs/dbraw/zinc/89/23/04/538892304.db2.gz NGGWXANRNBWELF-XNWIYYODSA-N 1 0 213.325 1.067 10 0 BDAERO CC1(C(=O)N2CC[C@]3([NH3+])CCCC[C@@H]23)CC1 ZINC000685949309 538892355 /nfs/dbraw/zinc/89/23/55/538892355.db2.gz PBDCIDGVMOFEPP-ZWNOBZJWSA-N 1 0 222.332 1.659 10 0 BDAERO CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1S(=O)(=O)CC ZINC000685952956 538895168 /nfs/dbraw/zinc/89/51/68/538895168.db2.gz DIWXCQYOADZMQH-GMTAPVOTSA-N 1 0 233.377 1.588 10 0 BDAERO CCCCN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189337709 357633614 /nfs/dbraw/zinc/63/36/14/357633614.db2.gz AXPLMYBCCBCKJW-WDEREUQCSA-N 1 0 239.319 1.940 10 0 BDAERO CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)[C@@H]1CC1(C)C ZINC000397573972 363587013 /nfs/dbraw/zinc/58/70/13/363587013.db2.gz FOIPSSPLYJQLDF-MMWGEVLESA-N 1 0 213.321 1.160 10 0 BDAERO CCC(=O)CCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000232872070 357686784 /nfs/dbraw/zinc/68/67/84/357686784.db2.gz HVLDYKCRUBJKKQ-STQMWFEESA-N 1 0 238.375 1.914 10 0 BDAERO CO[C@H]1C[C@@H](c2nc(C)no2)N(CC2CC2)C1 ZINC000190102875 357688456 /nfs/dbraw/zinc/68/84/56/357688456.db2.gz KUEXKAUAPOTLKI-QWRGUYRKSA-N 1 0 237.303 1.550 10 0 BDAERO CCC(=O)CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000190206891 357692773 /nfs/dbraw/zinc/69/27/73/357692773.db2.gz WFTQALRHXNCMMH-UHFFFAOYSA-N 1 0 235.331 1.958 10 0 BDAERO CC(C)CC[NH2+]Cc1cccnc1-n1cncn1 ZINC000190798788 357731775 /nfs/dbraw/zinc/73/17/75/357731775.db2.gz QWRYEQGUGBJUHN-UHFFFAOYSA-N 1 0 245.330 1.798 10 0 BDAERO CC[C@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000191183659 357740131 /nfs/dbraw/zinc/74/01/31/357740131.db2.gz WRESENDQIGUTHD-QWRGUYRKSA-N 1 0 212.337 1.585 10 0 BDAERO C[C@H]1CCC[C@@H](C[N@@H+]2CCCN(C)C(=O)C2)C1 ZINC000191124764 357751635 /nfs/dbraw/zinc/75/16/35/357751635.db2.gz DSUUIUVIBXARDL-QWHCGFSZSA-N 1 0 238.375 1.977 10 0 BDAERO CC[C@H](C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000191871004 357810718 /nfs/dbraw/zinc/81/07/18/357810718.db2.gz HXXVRXOAXISEOV-NWDGAFQWSA-N 1 0 242.363 1.212 10 0 BDAERO Cc1c[nH+]ccc1NC[C@H]1CN(C2CC2)CCO1 ZINC000192575458 357844463 /nfs/dbraw/zinc/84/44/63/357844463.db2.gz LIEAODCISAPVCM-ZDUSSCGKSA-N 1 0 247.342 1.665 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@@H]1[NH3+] ZINC000235347046 357867009 /nfs/dbraw/zinc/86/70/09/357867009.db2.gz GVMDPQFCPVYQRS-APPZFPTMSA-N 1 0 239.706 1.154 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)C[C@H](C)O ZINC000398673201 357889384 /nfs/dbraw/zinc/88/93/84/357889384.db2.gz IPYQUMYBGWQXMA-WRWGMCAJSA-N 1 0 215.337 1.287 10 0 BDAERO C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C[C@H](C)O ZINC000398682170 357889669 /nfs/dbraw/zinc/88/96/69/357889669.db2.gz OAGIMXBELSUAEI-OUAUKWLOSA-N 1 0 217.353 1.390 10 0 BDAERO Cc1cccc(CC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235670475 357927331 /nfs/dbraw/zinc/92/73/31/357927331.db2.gz AKGYVPRDWIEFDF-AAEUAGOBSA-N 1 0 232.327 1.343 10 0 BDAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cnccn1 ZINC000070025441 491117476 /nfs/dbraw/zinc/11/74/76/491117476.db2.gz MAPBEQUQQAZYGW-MNOVXSKESA-N 1 0 221.304 1.696 10 0 BDAERO CCOCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000037490806 358072602 /nfs/dbraw/zinc/07/26/02/358072602.db2.gz RPOGGHWWNNNOID-GHMZBOCLSA-N 1 0 201.310 1.306 10 0 BDAERO C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)[C@@H]1CO ZINC000640058843 358147277 /nfs/dbraw/zinc/14/72/77/358147277.db2.gz LFNYBTIIULPUQN-ZOBORPQBSA-N 1 0 241.375 1.630 10 0 BDAERO NC(=O)c1ccc(C[NH+]2CCCCCC2)c(N)c1 ZINC000037272174 181295304 /nfs/dbraw/zinc/29/53/04/181295304.db2.gz XVSLAEZMHUKHGM-UHFFFAOYSA-N 1 0 247.342 1.744 10 0 BDAERO NC[C@H]([NH3+])CC1=Cc2ccccc2CC1 ZINC000039185855 358219767 /nfs/dbraw/zinc/21/97/67/358219767.db2.gz XFQNGHYQCQCYQA-CYBMUJFWSA-N 1 0 202.301 1.692 10 0 BDAERO Cc1ccc(N2CNC(=O)C23CC[NH2+]CC3)cc1 ZINC000039042728 358217058 /nfs/dbraw/zinc/21/70/58/358217058.db2.gz FKTLPANFGXXTMF-UHFFFAOYSA-N 1 0 245.326 1.011 10 0 BDAERO [NH3+]CCN1CC[C@@H](C2COC2)c2ccccc21 ZINC000584612838 358276207 /nfs/dbraw/zinc/27/62/07/358276207.db2.gz NKEFFBIBYBLAPC-LBPRGKRZSA-N 1 0 232.327 1.585 10 0 BDAERO [NH3+]CCN1CC[C@@H]([C@H]2CCOC2)c2ccccc21 ZINC000584612943 358276866 /nfs/dbraw/zinc/27/68/66/358276866.db2.gz WTPQDZGJZYMIQI-STQMWFEESA-N 1 0 246.354 1.976 10 0 BDAERO COC(=O)c1cccc([C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000584597888 358255965 /nfs/dbraw/zinc/25/59/65/358255965.db2.gz WHJBYCMSWOXVAU-VXGBXAGGSA-N 1 0 235.283 1.652 10 0 BDAERO C[N@@H+]1CC[C@]2(c3ccccc3)O[C@@H](O)C[C@@H]2C1 ZINC000584604019 358262196 /nfs/dbraw/zinc/26/21/96/358262196.db2.gz FGFXUQOMBGAQAU-MGPQQGTHSA-N 1 0 233.311 1.572 10 0 BDAERO CC[C@H]1CC[C@@H](CCN2CCOCC2)[NH2+]C1 ZINC000584607089 358267166 /nfs/dbraw/zinc/26/71/66/358267166.db2.gz AKXHKHXAAZWFKF-STQMWFEESA-N 1 0 226.364 1.487 10 0 BDAERO CC[C@@H]1CC[C@H](CCN2CCOCC2)[NH2+]C1 ZINC000584607086 358267408 /nfs/dbraw/zinc/26/74/08/358267408.db2.gz AKXHKHXAAZWFKF-CHWSQXEVSA-N 1 0 226.364 1.487 10 0 BDAERO CO[C@]1(c2ccccc2)O[C@]12CCC[N@H+](C)C2 ZINC000584620606 358288122 /nfs/dbraw/zinc/28/81/22/358288122.db2.gz XNRQHTPAMDCAEW-UONOGXRCSA-N 1 0 233.311 1.980 10 0 BDAERO CC(C)C1(N2CCOCC2)CC[NH2+]CC1 ZINC000584643665 358328605 /nfs/dbraw/zinc/32/86/05/358328605.db2.gz KWEKTMVQSAQFEX-UHFFFAOYSA-N 1 0 212.337 1.097 10 0 BDAERO CCC[C@H](C)C[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000180163750 366387342 /nfs/dbraw/zinc/38/73/42/366387342.db2.gz JCCRYSWUFLEAMT-KBPBESRZSA-N 1 0 242.407 1.811 10 0 BDAERO C[C@@]1(C[NH2+][C@@H]2CCCC[C@H]2O)CCCO1 ZINC000226234163 358336529 /nfs/dbraw/zinc/33/65/29/358336529.db2.gz UWWAFXSKVJXSKS-UTUOFQBUSA-N 1 0 213.321 1.449 10 0 BDAERO CO[C@H](C)CCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226458685 358339951 /nfs/dbraw/zinc/33/99/51/358339951.db2.gz CAHMXPCCHLJATE-NEPJUHHUSA-N 1 0 242.363 1.402 10 0 BDAERO CCCCS(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226463637 358339968 /nfs/dbraw/zinc/33/99/68/358339968.db2.gz KIJAKYOWWKABQJ-LLVKDONJSA-N 1 0 248.392 1.190 10 0 BDAERO CC(C)Oc1cc(N[C@@H](C)C[C@@H](C)[NH3+])ncn1 ZINC000228266398 358372296 /nfs/dbraw/zinc/37/22/96/358372296.db2.gz RXUSRQZUYQIULJ-ZJUUUORDSA-N 1 0 238.335 1.802 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCSC1 ZINC000228562969 358378150 /nfs/dbraw/zinc/37/81/50/358378150.db2.gz XTTBCEIXGQKXOG-NEPJUHHUSA-N 1 0 247.404 1.507 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@@H](C)S1 ZINC000227796219 358363860 /nfs/dbraw/zinc/36/38/60/358363860.db2.gz CXDNYJFXMSCDSR-GWOFURMSSA-N 1 0 242.388 1.466 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C[C@@H]1O ZINC000229585459 358404388 /nfs/dbraw/zinc/40/43/88/358404388.db2.gz ZHMXKEVXPRBKLI-DBIOUOCHSA-N 1 0 213.321 1.039 10 0 BDAERO CC(C)[C@@H]1C[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000207352882 358432675 /nfs/dbraw/zinc/43/26/75/358432675.db2.gz IRVJMBINNUQSFO-UWVGGRQHSA-N 1 0 228.336 1.755 10 0 BDAERO C[N@H+](C[C@H]1CCCC1=O)[C@@H]1CCSC1 ZINC000053926719 358580715 /nfs/dbraw/zinc/58/07/15/358580715.db2.gz JAHRCNGFMOVWSJ-NXEZZACHSA-N 1 0 213.346 1.793 10 0 BDAERO Cc1cc2c(N[C@H](C)CCC[NH3+])nccn2n1 ZINC000130426516 358626088 /nfs/dbraw/zinc/62/60/88/358626088.db2.gz XSBJGALNKSOYQA-SECBINFHSA-N 1 0 233.319 1.577 10 0 BDAERO C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C1CC1 ZINC000175335204 134285520 /nfs/dbraw/zinc/28/55/20/134285520.db2.gz DDWJVLDPWLSUHO-NTZNESFSSA-N 1 0 236.359 1.728 10 0 BDAERO CCN1CC[C@@H]([NH3+])[C@H]1c1ncc(Cl)s1 ZINC000300234275 358589616 /nfs/dbraw/zinc/58/96/16/358589616.db2.gz UCEDWTOSNAOBLM-SVRRBLITSA-N 1 0 231.752 1.891 10 0 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204.273 1.746 10 0 BDAERO COC[C@H](C)C[NH2+]CC[C@@H]1CCCO1 ZINC000083526558 491162069 /nfs/dbraw/zinc/16/20/69/491162069.db2.gz KMIVFUREXWYULB-MNOVXSKESA-N 1 0 201.310 1.428 10 0 BDAERO COCCCCC[NH2+]CC1CCOCC1 ZINC000155719537 201346932 /nfs/dbraw/zinc/34/69/32/201346932.db2.gz KPHVVWCRNZMVJR-UHFFFAOYSA-N 1 0 215.337 1.819 10 0 BDAERO [NH3+]CC(=O)Cc1ccc2ccccc2n1 ZINC000167763750 181348083 /nfs/dbraw/zinc/34/80/83/181348083.db2.gz WOYQMJDTKPXHBR-UHFFFAOYSA-N 1 0 200.241 1.305 10 0 BDAERO c1cc2nccc([C@H]3CCC[NH2+]C3)n2n1 ZINC000074209710 541313942 /nfs/dbraw/zinc/31/39/42/541313942.db2.gz XVNIXAXAJZZZPM-VIFPVBQESA-N 1 0 202.261 1.196 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN(CC(F)(F)F)[C@H]1C ZINC000252610194 364016582 /nfs/dbraw/zinc/01/65/82/364016582.db2.gz UMLJSEMFRYLIHH-BIIVOSGPSA-N 1 0 210.243 1.606 10 0 BDAERO CO[C@H]1CN(C(=O)c2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630362727 364082154 /nfs/dbraw/zinc/08/21/54/364082154.db2.gz PSQOMQRISVZMFX-TZMCWYRMSA-N 1 0 248.326 1.265 10 0 BDAERO CC(C)NC(=O)NC[C@@]1([NH3+])C[C@H](C)C[C@H](C)C1 ZINC000725254970 541331983 /nfs/dbraw/zinc/33/19/83/541331983.db2.gz LZHPEUKCSSNZLE-PTEHBNRSSA-N 1 0 241.379 1.848 10 0 BDAERO CO[C@@H]1CN(Cc2ccc(C)nc2)[C@](C)(C[NH3+])C1 ZINC000630366328 364086372 /nfs/dbraw/zinc/08/63/72/364086372.db2.gz KCXWXQYJUCFVCG-KBPBESRZSA-N 1 0 249.358 1.328 10 0 BDAERO CO[C@@H]1CN(C(=O)[C@H](C)C(C)C)[C@](C)(C[NH3+])C1 ZINC000630371398 364087826 /nfs/dbraw/zinc/08/78/26/364087826.db2.gz RXRTZOWSRAPDJI-MDZLAQPJSA-N 1 0 242.363 1.243 10 0 BDAERO [NH3+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000011957235 181355853 /nfs/dbraw/zinc/35/58/53/181355853.db2.gz YTBOSHTXUOCPCR-UHFFFAOYSA-N 1 0 219.071 1.891 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000725263573 541336447 /nfs/dbraw/zinc/33/64/47/541336447.db2.gz RMPWDDMMCCPGKL-NWDGAFQWSA-N 1 0 241.379 1.801 10 0 BDAERO C[NH2+]CCC1=NCCN1C(=O)[C@@H](C)C(C)C ZINC000725272943 541340425 /nfs/dbraw/zinc/34/04/25/541340425.db2.gz UQACXGKLVBIZRV-JTQLQIEISA-N 1 0 225.336 1.129 10 0 BDAERO Oc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1 ZINC000725268982 541338227 /nfs/dbraw/zinc/33/82/27/541338227.db2.gz AFUAIFHMSMSZFS-KGLIPLIRSA-N 1 0 233.311 1.907 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC([C@@H](C)[NH3+])C1 ZINC000725271267 541339571 /nfs/dbraw/zinc/33/95/71/541339571.db2.gz BBTDUHDOUUATLY-BDAKNGLRSA-N 1 0 213.325 1.020 10 0 BDAERO COc1cccnc1NCC12CC(C1)C[NH2+]2 ZINC000630519364 364201929 /nfs/dbraw/zinc/20/19/29/364201929.db2.gz RFJPVLSVHCHLFY-UHFFFAOYSA-N 1 0 219.288 1.254 10 0 BDAERO Cc1cnc(C)c(NCC2([NH3+])CCOCC2)n1 ZINC000630525129 364211982 /nfs/dbraw/zinc/21/19/82/364211982.db2.gz CEYYAVHQHOBCTF-UHFFFAOYSA-N 1 0 236.319 1.013 10 0 BDAERO [NH3+]C1(CNc2ccccn2)CCOCC1 ZINC000630526572 364213167 /nfs/dbraw/zinc/21/31/67/364213167.db2.gz LYONFRUQYFGOTB-UHFFFAOYSA-N 1 0 207.277 1.001 10 0 BDAERO Cc1cc(C)nc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630549867 364243654 /nfs/dbraw/zinc/24/36/54/364243654.db2.gz QJWOXFXSLMYILM-LBPRGKRZSA-N 1 0 234.347 1.801 10 0 BDAERO Cc1nccnc1N1CCCCC[C@H]([NH3+])C1 ZINC000630550009 364243790 /nfs/dbraw/zinc/24/37/90/364243790.db2.gz RUTMEEJIPLIWJV-NSHDSACASA-N 1 0 220.320 1.493 10 0 BDAERO [NH3+]CC1(C(=O)NCCc2ccccc2)CC1 ZINC000077326768 181359574 /nfs/dbraw/zinc/35/95/74/181359574.db2.gz LWEJMUWFZHTBQB-UHFFFAOYSA-N 1 0 218.300 1.084 10 0 BDAERO CCc1ncnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC000630567364 364265105 /nfs/dbraw/zinc/26/51/05/364265105.db2.gz ICVSUXGCILADAR-BDAKNGLRSA-N 1 0 238.310 1.209 10 0 BDAERO C[C@@H]1CN(c2ncnc3ccsc32)C[C@H]1C[NH3+] ZINC000630571760 364266935 /nfs/dbraw/zinc/26/69/35/364266935.db2.gz PLEDBJRFEBURKY-RKDXNWHRSA-N 1 0 248.355 1.722 10 0 BDAERO Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)ncn1 ZINC000630533801 364225726 /nfs/dbraw/zinc/22/57/26/364225726.db2.gz RMQADUKMCFGPEL-SCZZXKLOSA-N 1 0 206.293 1.337 10 0 BDAERO C[C@H]1CC[C@H](Nc2ncncc2Cl)C[NH2+]1 ZINC000630533757 364226253 /nfs/dbraw/zinc/22/62/53/364226253.db2.gz QXMJNGGSSXESMF-YUMQZZPRSA-N 1 0 226.711 1.682 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2ccncc2Cl)C[NH2+]1 ZINC000630533878 364226843 /nfs/dbraw/zinc/22/68/43/364226843.db2.gz GRASBVBDWGSNPJ-RKDXNWHRSA-N 1 0 225.723 1.709 10 0 BDAERO CCc1nc(C)cc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630535254 364229526 /nfs/dbraw/zinc/22/95/26/364229526.db2.gz SLXMVFPVYIMEJG-ONGXEEELSA-N 1 0 234.347 1.322 10 0 BDAERO Cc1cccc(NCCOCCC[NH3+])n1 ZINC000630535227 364230053 /nfs/dbraw/zinc/23/00/53/364230053.db2.gz SDTSCRCUYKGTHB-UHFFFAOYSA-N 1 0 209.293 1.167 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]2C)C1 ZINC000170811786 364297143 /nfs/dbraw/zinc/29/71/43/364297143.db2.gz HAQUWLZYCDQACE-GARJFASQSA-N 1 0 225.336 1.178 10 0 BDAERO [NH3+]CC1(c2cccc(Br)n2)CC1 ZINC000083323847 181362448 /nfs/dbraw/zinc/36/24/48/181362448.db2.gz JDNWHVHTUQZMRG-UHFFFAOYSA-N 1 0 227.105 1.834 10 0 BDAERO CC(C)CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170829509 364380663 /nfs/dbraw/zinc/38/06/63/364380663.db2.gz ZVAHFBVZEIWQFI-GFCCVEGCSA-N 1 0 241.379 1.768 10 0 BDAERO [NH3+]CC1CCC(C(=O)N2CCCCC2)CC1 ZINC000055145922 181364205 /nfs/dbraw/zinc/36/42/05/181364205.db2.gz GSPKIOJVLJWJEY-UHFFFAOYSA-N 1 0 224.348 1.764 10 0 BDAERO CC(C)[NH+](CCNC(=O)N[C@H]1C[C@H]1C)C(C)C ZINC000170836485 364445728 /nfs/dbraw/zinc/44/57/28/364445728.db2.gz XLMHWJBGCWKMKT-NEPJUHHUSA-N 1 0 241.379 1.813 10 0 BDAERO CC[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000037674756 364486280 /nfs/dbraw/zinc/48/62/80/364486280.db2.gz RDVUVPRQLLIETC-UHFFFAOYSA-N 1 0 207.273 1.957 10 0 BDAERO CN(C)[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037675144 364487420 /nfs/dbraw/zinc/48/74/20/364487420.db2.gz LAWBXEWQWCVIFC-NSHDSACASA-N 1 0 236.315 1.409 10 0 BDAERO CCC[C@@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170863973 364544722 /nfs/dbraw/zinc/54/47/22/364544722.db2.gz JLKLNHQEERKOOT-VXGBXAGGSA-N 1 0 226.364 1.975 10 0 BDAERO OC[C@]12C[C@H]1CC[N@H+](Cc1ccccc1)C2 ZINC000138666021 364563735 /nfs/dbraw/zinc/56/37/35/364563735.db2.gz HTLIMZCYFUKFSI-ZIAGYGMSSA-N 1 0 217.312 1.891 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2COCC[C@H]2O)CC(C)(C)C1 ZINC000631750160 364595391 /nfs/dbraw/zinc/59/53/91/364595391.db2.gz XHEKHBNWTKHITC-FDYHWXHSSA-N 1 0 241.375 1.941 10 0 BDAERO [NH3+]CCC(=O)OCCc1ccc(F)c(F)c1 ZINC000077343068 181370506 /nfs/dbraw/zinc/37/05/06/181370506.db2.gz CJHBVVIETJYGRU-UHFFFAOYSA-N 1 0 229.226 1.399 10 0 BDAERO [NH3+]CCC(=O)OCCc1ccc(Cl)s1 ZINC000077367794 181369714 /nfs/dbraw/zinc/36/97/14/181369714.db2.gz RTKKPOIHSJBTNZ-UHFFFAOYSA-N 1 0 233.720 1.836 10 0 BDAERO [NH3+]CCC(=O)c1cccc2c1OCCC2 ZINC000082930008 181370113 /nfs/dbraw/zinc/37/01/13/181370113.db2.gz XTBUUSNCZPKAGO-UHFFFAOYSA-N 1 0 205.257 1.543 10 0 BDAERO C[C@@H]1CCN(C/C(Cl)=C/Cl)C[C@H]1[NH3+] ZINC000252646641 364724051 /nfs/dbraw/zinc/72/40/51/364724051.db2.gz SDFDBPWAQKPZDD-NMTTVDAISA-N 1 0 223.147 1.975 10 0 BDAERO Cc1ncsc1CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324352103 364773038 /nfs/dbraw/zinc/77/30/38/364773038.db2.gz PFLXTKWREZGBDM-LLVKDONJSA-N 1 0 242.388 1.991 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C ZINC000081925976 541380955 /nfs/dbraw/zinc/38/09/55/541380955.db2.gz ITZQOHMXQUCZEU-VHSXEESVSA-N 1 0 233.377 1.588 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C ZINC000081925980 541380964 /nfs/dbraw/zinc/38/09/64/541380964.db2.gz ITZQOHMXQUCZEU-NXEZZACHSA-N 1 0 233.377 1.588 10 0 BDAERO C[C@@H](Nc1cccc(CO)c1)[C@@H]1CCC[NH2+]C1 ZINC000573693917 364888530 /nfs/dbraw/zinc/88/85/30/364888530.db2.gz XUDVPPPBQLETAZ-DGCLKSJQSA-N 1 0 234.343 1.979 10 0 BDAERO [NH3+]CCCCCC(=O)NCCCCCCO ZINC000083357627 181374182 /nfs/dbraw/zinc/37/41/82/181374182.db2.gz ZPCPJBWUDBDPGS-UHFFFAOYSA-N 1 0 230.352 1.174 10 0 BDAERO [NH3+]CCCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000011755405 181373359 /nfs/dbraw/zinc/37/33/59/181373359.db2.gz MNJOCUXRSYNVLW-UHFFFAOYSA-N 1 0 247.342 1.964 10 0 BDAERO [NH3+]CCCCc1ccc2nccnc2c1 ZINC000071491436 181378396 /nfs/dbraw/zinc/37/83/96/181378396.db2.gz PROVTOANVOTPFL-UHFFFAOYSA-N 1 0 201.273 1.911 10 0 BDAERO [NH3+]CCCCS(=O)(=O)c1cccc(Cl)c1 ZINC000020223567 181378790 /nfs/dbraw/zinc/37/87/90/181378790.db2.gz SLFKJPTWDBLRGL-UHFFFAOYSA-N 1 0 247.747 1.853 10 0 BDAERO [NH3+]CCCCn1c2ccccc2oc1=O ZINC000019276177 181379780 /nfs/dbraw/zinc/37/97/80/181379780.db2.gz XADNFNHVLNQZST-UHFFFAOYSA-N 1 0 206.245 1.333 10 0 BDAERO [NH3+]CCCN(c1ncccn1)C1CCCCC1 ZINC000034960276 181379441 /nfs/dbraw/zinc/37/94/41/181379441.db2.gz YMUBIHKFYORZJR-UHFFFAOYSA-N 1 0 234.347 1.965 10 0 BDAERO C[C@@H](C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377074 541436573 /nfs/dbraw/zinc/43/65/73/541436573.db2.gz FSHCWEUGVGAFAY-XGNXJENSSA-N 1 0 235.327 1.692 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000379771305 365001674 /nfs/dbraw/zinc/00/16/74/365001674.db2.gz AKIBCNNCDRSFAR-PSASIEDQSA-N 1 0 229.711 1.304 10 0 BDAERO [NH3+]CCCN1CCc2ccccc2C1=O ZINC000057492366 181381478 /nfs/dbraw/zinc/38/14/78/181381478.db2.gz ZEFXKPXVAXPQLM-UHFFFAOYSA-N 1 0 204.273 1.034 10 0 BDAERO [NH3+]CCCNC(=O)c1cccc2cccnc21 ZINC000022500995 181381973 /nfs/dbraw/zinc/38/19/73/181381973.db2.gz KYOLJGVJAPGNSG-UHFFFAOYSA-N 1 0 229.283 1.313 10 0 BDAERO [NH3+]CCCS(=O)(=O)C1CCCCC1 ZINC000032010583 181384466 /nfs/dbraw/zinc/38/44/66/181384466.db2.gz DMODQDAVEXJHHA-UHFFFAOYSA-N 1 0 205.323 1.083 10 0 BDAERO [NH3+]CCCSCC(=O)Nc1ccccc1F ZINC000058250020 181384520 /nfs/dbraw/zinc/38/45/20/181384520.db2.gz CUESNNKXNCGZAX-UHFFFAOYSA-N 1 0 242.319 1.846 10 0 BDAERO [NH3+]CCCOc1ccc(C(=O)NC2CC2)cc1 ZINC000020228819 181384927 /nfs/dbraw/zinc/38/49/27/181384927.db2.gz ATBBDDZCLVYIIP-UHFFFAOYSA-N 1 0 234.299 1.306 10 0 BDAERO [NH3+]CCC[C@@H]1CCCN1C(=O)c1cccnc1 ZINC000084518277 181385772 /nfs/dbraw/zinc/38/57/72/181385772.db2.gz RPUUKEVYWQWBRY-GFCCVEGCSA-N 1 0 233.315 1.425 10 0 BDAERO [NH3+]CCCc1nnc(CCc2ccco2)o1 ZINC000011585964 181388015 /nfs/dbraw/zinc/38/80/15/181388015.db2.gz HXHXVXWZEDEWRK-UHFFFAOYSA-N 1 0 221.260 1.339 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccccc2F)o1 ZINC000011585917 181388034 /nfs/dbraw/zinc/38/80/34/181388034.db2.gz HYOXCHDIOBHKMN-UHFFFAOYSA-N 1 0 221.235 1.767 10 0 BDAERO [NH3+]CCN(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000076618313 181390839 /nfs/dbraw/zinc/39/08/39/181390839.db2.gz WAQXQYUHJFOFAW-ZDUSSCGKSA-N 1 0 235.331 1.021 10 0 BDAERO [NH3+]CC[C@@H](O)c1c(F)cccc1Cl ZINC000082639419 181402948 /nfs/dbraw/zinc/40/29/48/181402948.db2.gz UQYGKDIYAFKHLI-MRVPVSSYSA-N 1 0 203.644 1.861 10 0 BDAERO [NH3+]CCNc1c(F)c(F)c(F)c(F)c1F ZINC000019507139 181396884 /nfs/dbraw/zinc/39/68/84/181396884.db2.gz WRIPWVIEOBHRAH-UHFFFAOYSA-N 1 0 226.148 1.753 10 0 BDAERO [NH3+]CCNc1ncnc2sc3c(c21)CCCC3 ZINC000004487665 181398738 /nfs/dbraw/zinc/39/87/38/181398738.db2.gz WNXPRLHEOFLIFV-UHFFFAOYSA-N 1 0 248.355 1.941 10 0 BDAERO [NH3+]CCOCCc1ccc2c(c1)CCO2 ZINC000077300438 181399059 /nfs/dbraw/zinc/39/90/59/181399059.db2.gz STAONCXCZXNBMX-UHFFFAOYSA-N 1 0 207.273 1.139 10 0 BDAERO [NH3+]CC[C@@H](O)CCOc1ccc2ncccc2c1 ZINC000041297507 181402471 /nfs/dbraw/zinc/40/24/71/181402471.db2.gz LHQQMXQRDXDVRF-GFCCVEGCSA-N 1 0 246.310 1.713 10 0 BDAERO [NH3+]CC[C@H](O)c1cc(Cl)ccc1O ZINC000075515861 181408181 /nfs/dbraw/zinc/40/81/81/181408181.db2.gz XZPPVFQSSWJXTI-VIFPVBQESA-N 1 0 201.653 1.428 10 0 BDAERO CCN(C(=O)N[C@@H]1CCC[N@H+](CC)C1)C(C)C ZINC000171118824 365170052 /nfs/dbraw/zinc/17/00/52/365170052.db2.gz OZKLUKBFWPXOKJ-GFCCVEGCSA-N 1 0 241.379 1.911 10 0 BDAERO [NH3+]CCc1noc(-c2ccc(F)c(F)c2)n1 ZINC000041062007 181414852 /nfs/dbraw/zinc/41/48/52/181414852.db2.gz GAJSGUAQHSFHKC-UHFFFAOYSA-N 1 0 225.198 1.516 10 0 BDAERO [NH3+]C[C@@H](Cc1ccccc1)C(=O)Nc1ncc[nH]1 ZINC000104114511 181418538 /nfs/dbraw/zinc/41/85/38/181418538.db2.gz IELLXGUEYPSCPP-LLVKDONJSA-N 1 0 244.298 1.166 10 0 BDAERO [NH3+]C[C@@H](O)c1ccc(-n2cccc2)cc1 ZINC000040539411 181423089 /nfs/dbraw/zinc/42/30/89/181423089.db2.gz PSTLOLPAPRWTGN-GFCCVEGCSA-N 1 0 202.257 1.469 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@H]1OCC1CCOCC1 ZINC000052151131 181428215 /nfs/dbraw/zinc/42/82/15/181428215.db2.gz COTXAKZYMUAMMH-QWHCGFSZSA-N 1 0 227.348 1.947 10 0 BDAERO CC[N@@H+]1CC[C@H](NCc2nc(C)c(C)[nH]2)C1 ZINC000575816871 365373538 /nfs/dbraw/zinc/37/35/38/365373538.db2.gz YNHARFUDZGICDH-NSHDSACASA-N 1 0 222.336 1.210 10 0 BDAERO CC(C)CNC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339514531 365464038 /nfs/dbraw/zinc/46/40/38/365464038.db2.gz XJAPODHNUKKLIJ-LLVKDONJSA-N 1 0 226.364 1.925 10 0 BDAERO CCCCOC[C@@H](O)C[NH+]1CC(C)(CC)C1 ZINC000359513412 366901500 /nfs/dbraw/zinc/90/15/00/366901500.db2.gz VZMHALSZLQLVJM-LBPRGKRZSA-N 1 0 229.364 1.896 10 0 BDAERO COC(=O)[C@@H](C[NH3+])C1CCC(C)(C)CC1 ZINC000260393015 541489496 /nfs/dbraw/zinc/48/94/96/541489496.db2.gz DARVDXGNZZTAJT-JTQLQIEISA-N 1 0 213.321 1.951 10 0 BDAERO CC(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000685952055 541497603 /nfs/dbraw/zinc/49/76/03/541497603.db2.gz RKBHLCUXNKRCOS-JTQLQIEISA-N 1 0 208.309 1.401 10 0 BDAERO CCCCc1cc2n(n1)[C@@H](C[NH3+])CCN2 ZINC000233005731 541509032 /nfs/dbraw/zinc/50/90/32/541509032.db2.gz WLNOUTJBTRNYOM-SNVBAGLBSA-N 1 0 208.309 1.541 10 0 BDAERO CO[C@@](C)(C[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000381108442 367351454 /nfs/dbraw/zinc/35/14/54/367351454.db2.gz ZJIYBKUPUROFOB-AAEUAGOBSA-N 1 0 229.364 1.798 10 0 BDAERO c1nc2c(c(N3CC[C@H]4[NH2+]CC[C@@H]4C3)n1)CCC2 ZINC000381344983 367384023 /nfs/dbraw/zinc/38/40/23/367384023.db2.gz LITBJIDZWOSRLL-ZYHUDNBSSA-N 1 0 244.342 1.154 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000381485105 367416784 /nfs/dbraw/zinc/41/67/84/367416784.db2.gz UXIVYLCEYHQVBE-JHJVBQTASA-N 1 0 229.364 1.920 10 0 BDAERO OCC[NH+](CCO)C[C@H]1CCCCC1(F)F ZINC000381547262 367428229 /nfs/dbraw/zinc/42/82/29/367428229.db2.gz TVVUEDYCSCMIJE-SNVBAGLBSA-N 1 0 237.290 1.099 10 0 BDAERO Cc1ccncc1CCC[NH2+][C@@H]1C[C@H]1CO ZINC000382066852 367482782 /nfs/dbraw/zinc/48/27/82/367482782.db2.gz DVSPYOYSTDITPK-QWHCGFSZSA-N 1 0 220.316 1.293 10 0 BDAERO Cc1nnsc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000381662318 367445709 /nfs/dbraw/zinc/44/57/09/367445709.db2.gz UXPWCQOJTSHIOT-SNVBAGLBSA-N 1 0 238.360 1.127 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000382851243 367563510 /nfs/dbraw/zinc/56/35/10/367563510.db2.gz JOKYEDLYPUCPCK-RYUDHWBXSA-N 1 0 247.379 1.255 10 0 BDAERO CCc1ncnc(N[C@H]2CC[C@@H](C[NH3+])C2)c1F ZINC000382408706 367517765 /nfs/dbraw/zinc/51/77/65/367517765.db2.gz CKXHJAYQOXSIHO-BDAKNGLRSA-N 1 0 238.310 1.717 10 0 BDAERO CCn1ccnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000383680166 367648932 /nfs/dbraw/zinc/64/89/32/367648932.db2.gz ONZNRUFCONTDNJ-TUAOUCFPSA-N 1 0 234.347 1.072 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000384142849 367673573 /nfs/dbraw/zinc/67/35/73/367673573.db2.gz NOKKZCPACYKREF-QWRGUYRKSA-N 1 0 244.379 1.288 10 0 BDAERO C[C@H](CCCO)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000384360233 367687322 /nfs/dbraw/zinc/68/73/22/367687322.db2.gz HMQSVROVASUWGA-XQHKEYJVSA-N 1 0 241.375 1.798 10 0 BDAERO Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000384372599 367687845 /nfs/dbraw/zinc/68/78/45/367687845.db2.gz IVNKJNXCQXXZKC-DGCLKSJQSA-N 1 0 247.342 1.394 10 0 BDAERO CCOCCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384924427 367759199 /nfs/dbraw/zinc/75/91/99/367759199.db2.gz RPFPWEKAWIRYQP-QWRGUYRKSA-N 1 0 201.310 1.258 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1nccc2occc21 ZINC000385090549 367787995 /nfs/dbraw/zinc/78/79/95/367787995.db2.gz LVMNVNUUYINQEG-BDAKNGLRSA-N 1 0 217.272 1.754 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC2=CCCCC2)C1 ZINC000385152953 367802462 /nfs/dbraw/zinc/80/24/62/367802462.db2.gz KKEJCMNNMYBLFA-KBPBESRZSA-N 1 0 239.359 1.959 10 0 BDAERO CN1CC[C@H]([NH2+]C[C@H]2CSCCS2)C1 ZINC000252748429 367906229 /nfs/dbraw/zinc/90/62/29/367906229.db2.gz SVIJSKDMJDJFMX-UWVGGRQHSA-N 1 0 232.418 1.129 10 0 BDAERO CN1CCCC[C@H]([NH3+])[C@H]1c1cncs1 ZINC000252761072 368052777 /nfs/dbraw/zinc/05/27/77/368052777.db2.gz MSSYEIACKNXWMX-WPRPVWTQSA-N 1 0 211.334 1.627 10 0 BDAERO C[C@H]1[C@H](Sc2ncnn2C)CC[C@@H]1[NH3+] ZINC000252810375 368159049 /nfs/dbraw/zinc/15/90/49/368159049.db2.gz NAMHQKLUJHSYCX-GJMOJQLCSA-N 1 0 212.322 1.033 10 0 BDAERO CC[C@@H]1CC[N@H+](C[C@H]2CSCCN2)C1 ZINC000252838012 368161307 /nfs/dbraw/zinc/16/13/07/368161307.db2.gz ACZHSAIHSZBSOA-MNOVXSKESA-N 1 0 214.378 1.423 10 0 BDAERO C[C@H]1C[N@H+](C[C@H]2CCCC2=O)CCS1 ZINC000252979957 368176192 /nfs/dbraw/zinc/17/61/92/368176192.db2.gz KDSIYPHLCYLXLY-VHSXEESVSA-N 1 0 213.346 1.793 10 0 BDAERO C[C@@H]1C[NH2+]CCN1[C@H]1CCCSC1 ZINC000252980620 368176893 /nfs/dbraw/zinc/17/68/93/368176893.db2.gz NIFNUBHABJXLEC-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO C[N@@H+]1CC[C@]2(CC(=O)NC2=O)[C@H]1c1ccccc1 ZINC000102132590 368304125 /nfs/dbraw/zinc/30/41/25/368304125.db2.gz LKIWSDNHKKUEMY-OCCSQVGLSA-N 1 0 244.294 1.096 10 0 BDAERO N#Cc1ccccc1N1CCN(CCC[NH3+])CC1 ZINC000034553161 368324138 /nfs/dbraw/zinc/32/41/38/368324138.db2.gz UVMIUADIUQEEKQ-UHFFFAOYSA-N 1 0 244.342 1.029 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH3+] ZINC000215740169 368312893 /nfs/dbraw/zinc/31/28/93/368312893.db2.gz BWXDXUVIZLNSHM-RKDXNWHRSA-N 1 0 214.309 1.448 10 0 BDAERO OCC[NH2+]CCNc1cccc2ccccc21 ZINC000225099777 368367492 /nfs/dbraw/zinc/36/74/92/368367492.db2.gz VJACNEYZUJZBFN-UHFFFAOYSA-N 1 0 230.311 1.834 10 0 BDAERO C[C@H](c1ncc2ccccc2n1)N1CC[NH2+]CC1 ZINC000116408697 368342916 /nfs/dbraw/zinc/34/29/16/368342916.db2.gz FYJLDGDLBNIPRP-LLVKDONJSA-N 1 0 242.326 1.596 10 0 BDAERO NC(=[NH2+])c1c(C(F)(F)F)nc2ccccn21 ZINC000222142902 368363031 /nfs/dbraw/zinc/36/30/31/368363031.db2.gz HTUBHXWGIUKBGU-UHFFFAOYSA-N 1 0 228.177 1.637 10 0 BDAERO CCCNC(=[NH2+])N1CCS[C@@H](C)[C@H]1C ZINC000253062111 368442980 /nfs/dbraw/zinc/44/29/80/368442980.db2.gz FOVXYFHRNDMCLF-BDAKNGLRSA-N 1 0 215.366 1.747 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000253069336 368444749 /nfs/dbraw/zinc/44/47/49/368444749.db2.gz LNUDUHWGJVFXAM-HLTSFMKQSA-N 1 0 232.418 1.877 10 0 BDAERO COC(=O)c1ccc(N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000084574131 368857202 /nfs/dbraw/zinc/85/72/02/368857202.db2.gz UMLDOXCNVOGXDS-QWRGUYRKSA-N 1 0 248.326 1.660 10 0 BDAERO CC(C)N(CC1CC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012237 368860231 /nfs/dbraw/zinc/86/02/31/368860231.db2.gz QTLQDPNLYSKZJI-NEPJUHHUSA-N 1 0 224.348 1.761 10 0 BDAERO FC1(CNCc2cn3c(n2)CCCC3)CC1 ZINC000309551762 326158566 /nfs/dbraw/zinc/15/85/66/326158566.db2.gz GCKYFIKLLHYHOC-UHFFFAOYSA-N 1 0 223.295 1.811 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(C1CC1)C1CC1 ZINC000088457260 368915024 /nfs/dbraw/zinc/91/50/24/368915024.db2.gz RSJFUZYANIVXIK-BXKDBHETSA-N 1 0 236.359 1.394 10 0 BDAERO C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122944 368889121 /nfs/dbraw/zinc/88/91/21/368889121.db2.gz XSQQHJAECRTDGP-DDHJBXDOSA-N 1 0 224.348 1.679 10 0 BDAERO C[C@@H]([NH3+])CCNc1ccc2nccnc2n1 ZINC000087201154 368890045 /nfs/dbraw/zinc/89/00/45/368890045.db2.gz VLHQKCLNSIONJZ-MRVPVSSYSA-N 1 0 217.276 1.174 10 0 BDAERO C[C@@H]1CCS[C@@]2(CC[NH2+]C[C@H]2C)N1 ZINC000253303437 368922993 /nfs/dbraw/zinc/92/29/93/368922993.db2.gz RQEGCTUXWWQDLD-OPRDCNLKSA-N 1 0 200.351 1.427 10 0 BDAERO Cc1ccc(F)cc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623766370 369001301 /nfs/dbraw/zinc/00/13/01/369001301.db2.gz FIYSLQKGJUHTQM-STQMWFEESA-N 1 0 239.290 1.374 10 0 BDAERO CCN(CC)C(=O)O[C@H]1CCCC[C@@H]1[NH3+] ZINC000131787988 259535757 /nfs/dbraw/zinc/53/57/57/259535757.db2.gz VMHLZHHBRACUTB-UWVGGRQHSA-N 1 0 214.309 1.735 10 0 BDAERO Nc1cccc([C@@H]2CCN(CC[NH3+])C2)c1 ZINC000616614350 369103113 /nfs/dbraw/zinc/10/31/13/369103113.db2.gz KEADXHLGCYXEBU-LLVKDONJSA-N 1 0 205.305 1.017 10 0 BDAERO CC[C@H]1CCN(C(=O)CC(C)C)C[C@@H]1[NH3+] ZINC000616568628 369089826 /nfs/dbraw/zinc/08/98/26/369089826.db2.gz CEFZGIKWTUSQDM-QWRGUYRKSA-N 1 0 212.337 1.618 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2cncc3ccccc32)C1 ZINC000616612258 369102041 /nfs/dbraw/zinc/10/20/41/369102041.db2.gz PBLMHXLAXOPECA-CYBMUJFWSA-N 1 0 241.338 1.983 10 0 BDAERO [NH3+]C[C@H](O)c1nc2c(s1)CCCCC2 ZINC000083347079 181451560 /nfs/dbraw/zinc/45/15/60/181451560.db2.gz LHYJFKVQVFSBHZ-QMMMGPOBSA-N 1 0 212.318 1.404 10 0 BDAERO [NH3+]CCN1C[C@@H](c2ccno2)Nc2ccccc21 ZINC000616692736 369115902 /nfs/dbraw/zinc/11/59/02/369115902.db2.gz OPGPDEPZWYCVPQ-NSHDSACASA-N 1 0 244.298 1.607 10 0 BDAERO [NH3+]C[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000019669533 181455705 /nfs/dbraw/zinc/45/57/05/181455705.db2.gz ODFNNEKIMVYTQZ-SSDOTTSWSA-N 1 0 242.681 1.791 10 0 BDAERO [NH3+]C[C@H](O)c1c[nH]c2ccc(Cl)cc21 ZINC000070453457 181450045 /nfs/dbraw/zinc/45/00/45/181450045.db2.gz WGTFWABLXBDANL-JTQLQIEISA-N 1 0 210.664 1.813 10 0 BDAERO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(Cl)s1 ZINC000070500394 181469415 /nfs/dbraw/zinc/46/94/15/181469415.db2.gz FZSZLOMCRVTRLV-MUWHJKNJSA-N 1 0 217.721 1.826 10 0 BDAERO [NH3+]Cc1c(Oc2cccnc2)nc2ccccn21 ZINC000035450435 181472479 /nfs/dbraw/zinc/47/24/79/181472479.db2.gz JZQCHBCWUXCUGG-UHFFFAOYSA-N 1 0 240.266 1.980 10 0 BDAERO [NH3+]Cc1cc(Cl)cc2c1NC(=O)CC2 ZINC000062201113 181477575 /nfs/dbraw/zinc/47/75/75/181477575.db2.gz KWYUIIMDCHDFNV-UHFFFAOYSA-N 1 0 210.664 1.683 10 0 BDAERO [NH3+]Cc1c[nH]nc1-c1ccc(F)c(F)c1 ZINC000082640873 181474418 /nfs/dbraw/zinc/47/44/18/181474418.db2.gz OLJYZTDCOQRNHZ-UHFFFAOYSA-N 1 0 209.199 1.814 10 0 BDAERO Cc1cccc(C[NH2+][C@H]2CCOC[C@H]2O)c1F ZINC000623766984 369216208 /nfs/dbraw/zinc/21/62/08/369216208.db2.gz OFZSXFUCYRTKQU-NWDGAFQWSA-N 1 0 239.290 1.374 10 0 BDAERO CC[C@H](C)CC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403969666 369415805 /nfs/dbraw/zinc/41/58/05/369415805.db2.gz BBBPDDUMNLZGJI-TUAOUCFPSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@H](NC(=O)OC(C)(C)C)C1C[NH2+]C1 ZINC000117747748 370963621 /nfs/dbraw/zinc/96/36/21/370963621.db2.gz SJCHHKIVUCVQNJ-ZETCQYMHSA-N 1 0 200.282 1.119 10 0 BDAERO [NH3+]Cc1ccc(CNC(=O)c2ccccn2)cc1 ZINC000037747783 181481849 /nfs/dbraw/zinc/48/18/49/181481849.db2.gz TXCKCLGKRBPDFK-UHFFFAOYSA-N 1 0 241.294 1.470 10 0 BDAERO CN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250352759 369511639 /nfs/dbraw/zinc/51/16/39/369511639.db2.gz LAXNKMIANFWJOT-ZSBIGDGJSA-N 1 0 224.348 1.443 10 0 BDAERO [NH3+]Cc1ccc(Cl)cc1NCCO ZINC000062787044 181483400 /nfs/dbraw/zinc/48/34/00/181483400.db2.gz SAXQEWXKBCYSJV-UHFFFAOYSA-N 1 0 200.669 1.203 10 0 BDAERO [NH3+]Cc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000037698862 181485389 /nfs/dbraw/zinc/48/53/89/181485389.db2.gz JEFYKMGZQMJPNS-QWHCGFSZSA-N 1 0 221.300 1.828 10 0 BDAERO CSC[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252688184 370116177 /nfs/dbraw/zinc/11/61/77/370116177.db2.gz NLTPNOMEHQWQJL-GUBZILKMSA-N 1 0 230.377 1.229 10 0 BDAERO CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000063466312 370169979 /nfs/dbraw/zinc/16/99/79/370169979.db2.gz OHLADGAKEZCEQQ-MNOVXSKESA-N 1 0 228.336 1.010 10 0 BDAERO CC[N@H+](CCNC(=O)N[C@@H]1C[C@@H]1C)C1CC1 ZINC000076082833 370213669 /nfs/dbraw/zinc/21/36/69/370213669.db2.gz LQTKGNOEHKOLLP-GXSJLCMTSA-N 1 0 225.336 1.178 10 0 BDAERO Cc1cc(C[N@H+](C)CC2CC(O)C2)ccn1 ZINC000621284484 370214690 /nfs/dbraw/zinc/21/46/90/370214690.db2.gz UHSHLSFMXSEVKG-UHFFFAOYSA-N 1 0 220.316 1.593 10 0 BDAERO [NH3+]Cc1nc(OC2CCOCC2)ccc1Cl ZINC000051522169 181500538 /nfs/dbraw/zinc/50/05/38/181500538.db2.gz FKZXPVLNPQYQGG-UHFFFAOYSA-N 1 0 242.706 1.752 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@H]1CC1(F)F ZINC000621670776 370420676 /nfs/dbraw/zinc/42/06/76/370420676.db2.gz XXEDXTNKMANXGK-DTWKUNHWSA-N 1 0 234.290 1.521 10 0 BDAERO C[N@@H+]1CC[C@H](c2ccc(CCO)cc2)C1 ZINC000215288642 370417691 /nfs/dbraw/zinc/41/76/91/370417691.db2.gz NAHSYJDWABCIHO-ZDUSSCGKSA-N 1 0 205.301 1.641 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CC1(F)F ZINC000621670556 370419783 /nfs/dbraw/zinc/41/97/83/370419783.db2.gz QTVGPAWXZNXMGL-IWSPIJDZSA-N 1 0 232.274 1.003 10 0 BDAERO [NH3+]C[C@@H]1CCCN1Cc1cncc(Cl)c1 ZINC000621774094 370518797 /nfs/dbraw/zinc/51/87/97/370518797.db2.gz KJQIUUMFIQOKIH-NSHDSACASA-N 1 0 225.723 1.658 10 0 BDAERO O=C(c1ccc(Cl)s1)C1C[NH2+]C1 ZINC000226535869 370552376 /nfs/dbraw/zinc/55/23/76/370552376.db2.gz FZZJERMVBKIIDR-UHFFFAOYSA-N 1 0 201.678 1.804 10 0 BDAERO [O-][N+]1=CC(c2ccccc2)=[N+](O)[C@H]2CCCC[C@H]21 ZINC000225398390 370523308 /nfs/dbraw/zinc/52/33/08/370523308.db2.gz YDHZFWSPVXDMRR-OLZOCXBDSA-N 1 0 246.310 1.675 10 0 BDAERO C[NH2+]Cc1csc(-c2nccs2)n1 ZINC000161604074 370569078 /nfs/dbraw/zinc/56/90/78/370569078.db2.gz ZNDHQHKWDVZTRT-UHFFFAOYSA-N 1 0 211.315 1.986 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000378670504 371013693 /nfs/dbraw/zinc/01/36/93/371013693.db2.gz JSSMFQFMBRAXJW-WUHRBBMRSA-N 1 0 209.333 1.926 10 0 BDAERO COC[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000154070013 371074549 /nfs/dbraw/zinc/07/45/49/371074549.db2.gz MVHOQEORNLMFFK-RYUDHWBXSA-N 1 0 242.363 1.068 10 0 BDAERO COC(=O)c1ccc(NC[C@H]2CC[NH2+]C2)nc1C ZINC000124450996 371190665 /nfs/dbraw/zinc/19/06/65/371190665.db2.gz VKMNMUBWFKKZAU-JTQLQIEISA-N 1 0 249.314 1.198 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3nccn3C2)C1 ZINC000390495344 371207731 /nfs/dbraw/zinc/20/77/31/371207731.db2.gz RPEBYVOPWUULRM-IJLUTSLNSA-N 1 0 219.332 1.976 10 0 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/nfs/dbraw/zinc/00/52/63/183005263.db2.gz KSPIWUQLUFPCCP-UHFFFAOYSA-N 1 0 221.304 1.119 10 0 BDAERO OC1(C2CC2)C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000301021248 183014942 /nfs/dbraw/zinc/01/49/42/183014942.db2.gz ZXYLFDUYMPRHOF-SECBINFHSA-N 1 0 231.286 1.879 10 0 BDAERO OC1(C[N@@H+]2CC[C@H](n3cccn3)C2)CCC1 ZINC000336029706 183019008 /nfs/dbraw/zinc/01/90/08/183019008.db2.gz IHMNMSDHOCWWLC-NSHDSACASA-N 1 0 221.304 1.045 10 0 BDAERO OC1(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000034408708 183021492 /nfs/dbraw/zinc/02/14/92/183021492.db2.gz UDLVJBVNERKCMW-GFCCVEGCSA-N 1 0 203.285 1.788 10 0 BDAERO OCCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671289 183058412 /nfs/dbraw/zinc/05/84/12/183058412.db2.gz HGAJKVCISLCKGS-OAHLLOKOSA-N 1 0 248.370 1.275 10 0 BDAERO OCC[N@H+](C[C@@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000053923353 183067825 /nfs/dbraw/zinc/06/78/25/183067825.db2.gz JNAAHHAIGYIZQP-JSGCOSHPSA-N 1 0 241.375 1.774 10 0 BDAERO OCC[NH2+]Cc1nc2c(s1)CCCCC2 ZINC000045205947 183079689 /nfs/dbraw/zinc/07/96/89/183079689.db2.gz BGIIKCSASNKCHD-UHFFFAOYSA-N 1 0 226.345 1.494 10 0 BDAERO OCC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000303741075 183093156 /nfs/dbraw/zinc/09/31/56/183093156.db2.gz GXEWQRDYGFKVRH-ZDUSSCGKSA-N 1 0 226.364 1.319 10 0 BDAERO OC[C@@H](CCc1ccccc1)N1CCC[NH2+]CC1 ZINC000061625893 183104180 /nfs/dbraw/zinc/10/41/80/183104180.db2.gz DBEOSKFZZCRRTO-OAHLLOKOSA-N 1 0 248.370 1.275 10 0 BDAERO OC[C@@H]([NH2+][C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000129255000 183110225 /nfs/dbraw/zinc/11/02/25/183110225.db2.gz RBGLRBOKUKWQAX-NWDGAFQWSA-N 1 0 241.718 1.752 10 0 BDAERO OC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCOC1 ZINC000063218345 183138249 /nfs/dbraw/zinc/13/82/49/183138249.db2.gz LYQZDVOHHGLSPY-KGLIPLIRSA-N 1 0 235.327 1.216 10 0 BDAERO OC[C@H]1CCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000095423271 183152678 /nfs/dbraw/zinc/15/26/78/183152678.db2.gz NRMGJPSWNOVQKM-UKRRQHHQSA-N 1 0 231.339 1.904 10 0 BDAERO CCCN(C(=O)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000037470226 169040896 /nfs/dbraw/zinc/04/08/96/169040896.db2.gz RHBLQMGOQSLRIB-GFCCVEGCSA-N 1 0 224.348 1.777 10 0 BDAERO CCCN(C(=O)[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000037541591 169046420 /nfs/dbraw/zinc/04/64/20/169046420.db2.gz RQYZYDJMDDUTLJ-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)Cc1cccc(Cl)c1 ZINC000071532634 183178074 /nfs/dbraw/zinc/17/80/74/183178074.db2.gz DREDXSIJMYSVBN-GFCCVEGCSA-N 1 0 225.719 1.995 10 0 BDAERO O[C@@H](C[NH2+]Cc1ccccn1)c1cccs1 ZINC000032089764 183181053 /nfs/dbraw/zinc/18/10/53/183181053.db2.gz MLTQLLACWQXFOU-NSHDSACASA-N 1 0 234.324 1.966 10 0 BDAERO O[C@@H](Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000041242376 183183785 /nfs/dbraw/zinc/18/37/85/183183785.db2.gz MTLXBKXGRHZFBE-YPMHNXCESA-N 1 0 223.291 1.729 10 0 BDAERO O[C@@H](CCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000071521967 183174270 /nfs/dbraw/zinc/17/42/70/183174270.db2.gz DYSCYQZQXFKBRE-KBPBESRZSA-N 1 0 219.328 1.980 10 0 BDAERO O[C@@H](c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000034963478 183185000 /nfs/dbraw/zinc/18/50/00/183185000.db2.gz KXMGXYGBOFEOFS-GFCCVEGCSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@@H]1COCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000295421698 183208380 /nfs/dbraw/zinc/20/83/80/183208380.db2.gz CLCAQTAQCGITEV-OLZOCXBDSA-N 1 0 233.311 1.019 10 0 BDAERO O[C@@H]1C[NH2+]C[C@@H]1Sc1ncnc2ccccc21 ZINC000104237280 183208469 /nfs/dbraw/zinc/20/84/69/183208469.db2.gz VSLBKSMONJGBIU-MNOVXSKESA-N 1 0 247.323 1.055 10 0 BDAERO O[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000071485249 183186299 /nfs/dbraw/zinc/18/62/99/183186299.db2.gz DZYGNYHYAOMISO-GFCCVEGCSA-N 1 0 203.285 1.745 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000300369490 183189599 /nfs/dbraw/zinc/18/95/99/183189599.db2.gz RJKZPKHOMGGKJP-LOWDOPEQSA-N 1 0 225.332 1.447 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000037490220 183195540 /nfs/dbraw/zinc/19/55/40/183195540.db2.gz YPKCDAAHIWQBFJ-QWHCGFSZSA-N 1 0 223.291 1.871 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000037489894 183195596 /nfs/dbraw/zinc/19/55/96/183195596.db2.gz RIPLXGJXQLQXAC-QWHCGFSZSA-N 1 0 205.301 1.732 10 0 BDAERO O[C@H](C[NH2+]Cc1ccccn1)c1cccs1 ZINC000032089767 183224579 /nfs/dbraw/zinc/22/45/79/183224579.db2.gz MLTQLLACWQXFOU-LLVKDONJSA-N 1 0 234.324 1.966 10 0 BDAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCCSCC1 ZINC000042444430 183231190 /nfs/dbraw/zinc/23/11/90/183231190.db2.gz PLLAHHDVHBDDER-QWRGUYRKSA-N 1 0 215.362 1.729 10 0 BDAERO CCCN(C)[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000037098269 169085891 /nfs/dbraw/zinc/08/58/91/169085891.db2.gz TVTJGUUYBNOOIS-YPMHNXCESA-N 1 0 220.316 1.789 10 0 BDAERO O[C@H](c1ccc2c(c1)OCO2)[C@@H]1CCCC[NH2+]1 ZINC000041265374 183229310 /nfs/dbraw/zinc/22/93/10/183229310.db2.gz DZSWSORCZGYERZ-GXFFZTMASA-N 1 0 235.283 1.591 10 0 BDAERO O[C@H](c1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000036906348 183229488 /nfs/dbraw/zinc/22/94/88/183229488.db2.gz FHEAAAZIKNMXQH-AWEZNQCLSA-N 1 0 233.311 1.655 10 0 BDAERO CCCN(CC(=O)NC)c1ccccc1C[NH2+]C ZINC000042405574 169096001 /nfs/dbraw/zinc/09/60/01/169096001.db2.gz OHEQKFRQYITHFR-UHFFFAOYSA-N 1 0 249.358 1.368 10 0 BDAERO O[C@@]1(Cc2ccc(F)cc2)CCC[NH2+]C1 ZINC000071511546 183217121 /nfs/dbraw/zinc/21/71/21/183217121.db2.gz NCYLNBWSDXSWFA-GFCCVEGCSA-N 1 0 209.264 1.483 10 0 BDAERO O[C@H]1CCN(Cc2ccccc2)C[C@@]12CC[NH2+]C2 ZINC000096964514 183239145 /nfs/dbraw/zinc/23/91/45/183239145.db2.gz ROOKFJAPDXSMNG-GJZGRUSLSA-N 1 0 246.354 1.233 10 0 BDAERO O[C@H]1C[NH2+]C[C@@H]1Sc1ncnc2ccccc21 ZINC000104237271 183245719 /nfs/dbraw/zinc/24/57/19/183245719.db2.gz VSLBKSMONJGBIU-QWRGUYRKSA-N 1 0 247.323 1.055 10 0 BDAERO O[C@H]1c2ccccc2OC[C@@H]1[NH+]1CCCC1 ZINC000044115188 183250555 /nfs/dbraw/zinc/25/05/55/183250555.db2.gz CSJAXJFXOVITHJ-AAEUAGOBSA-N 1 0 219.284 1.577 10 0 BDAERO O[C@]1(c2ccc(F)c(F)c2)CCC[NH2+]C1 ZINC000071518694 183251268 /nfs/dbraw/zinc/25/12/68/183251268.db2.gz MLXYLFSLDDEIQH-LLVKDONJSA-N 1 0 213.227 1.536 10 0 BDAERO O[C@]1(Cc2ccccc2F)CCC[NH2+]C1 ZINC000071511537 183251283 /nfs/dbraw/zinc/25/12/83/183251283.db2.gz RMRUZCPBAAULAF-LBPRGKRZSA-N 1 0 209.264 1.483 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000037490089 183237795 /nfs/dbraw/zinc/23/77/95/183237795.db2.gz NOMAYZBGRPMAJT-OLZOCXBDSA-N 1 0 223.291 1.871 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]CC[C@H]1CCCO1 ZINC000038095712 183281485 /nfs/dbraw/zinc/28/14/85/183281485.db2.gz LVRKDTLIVKMEAB-YPMHNXCESA-N 1 0 249.310 1.984 10 0 BDAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]CCn1cccn1 ZINC000042538948 183282034 /nfs/dbraw/zinc/28/20/34/183282034.db2.gz KWIYBWOXXIWJIO-GFCCVEGCSA-N 1 0 245.282 1.312 10 0 BDAERO Oc1ccc(C2=[NH+]CCN2)c2ccccc12 ZINC000169322340 183267208 /nfs/dbraw/zinc/26/72/08/183267208.db2.gz AJSLPROCNAQKPA-UHFFFAOYSA-N 1 0 212.252 1.895 10 0 BDAERO CCC[N@H+](CCC(N)=O)C(CC)(CC)CN ZINC000050092616 169139430 /nfs/dbraw/zinc/13/94/30/169139430.db2.gz IRVYWTOMFXEWIT-UHFFFAOYSA-N 1 0 229.368 1.091 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@@H]1CCOC1 ZINC000037738231 183281060 /nfs/dbraw/zinc/28/10/60/183281060.db2.gz HHRODUJGXNGAGH-CABZTGNLSA-N 1 0 235.283 1.452 10 0 BDAERO O=c1cc(C(F)(F)F)nc([C@H]2CCC[NH2+]C2)[nH]1 ZINC000071396363 183257373 /nfs/dbraw/zinc/25/73/73/183257373.db2.gz VKJOQJFTXLLTPI-LURJTMIESA-N 1 0 247.220 1.668 10 0 BDAERO CCCN(CCC[NH3+])C(=O)c1ccc(O)cc1 ZINC000036731244 169155922 /nfs/dbraw/zinc/15/59/22/169155922.db2.gz VARDLPVOBWCLKE-UHFFFAOYSA-N 1 0 236.315 1.593 10 0 BDAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCc1cn[nH]c1 ZINC000298186148 183295570 /nfs/dbraw/zinc/29/55/70/183295570.db2.gz WHMAKEYBVZEGMF-ZDUSSCGKSA-N 1 0 243.310 1.935 10 0 BDAERO Oc1cccc2c1CC[C@H]2[NH2+]CCn1ccnc1 ZINC000041119504 183295845 /nfs/dbraw/zinc/29/58/45/183295845.db2.gz CKIRGFUJQSPJJR-CYBMUJFWSA-N 1 0 243.310 1.866 10 0 BDAERO CCC[N@H+](CCO)C[C@@H]1C[C@H](CC)CC[C@@H]1O ZINC000053886013 169165510 /nfs/dbraw/zinc/16/55/10/169165510.db2.gz NVXDKWYPTHVXSG-RDBSUJKOSA-N 1 0 243.391 1.878 10 0 BDAERO CCCN(Cc1cccs1)C(=O)CC[NH3+] ZINC000032015233 169179880 /nfs/dbraw/zinc/17/98/80/169179880.db2.gz BPTKWYQLFNAYBH-UHFFFAOYSA-N 1 0 226.345 1.836 10 0 BDAERO c1c[nH]c(C[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000048436278 183325452 /nfs/dbraw/zinc/32/54/52/183325452.db2.gz VDEOPEIOLLISCM-LBPRGKRZSA-N 1 0 244.294 1.944 10 0 BDAERO CCC[NH+]1CCN(Cc2csc(N)n2)CC1 ZINC000036732525 169202534 /nfs/dbraw/zinc/20/25/34/169202534.db2.gz GXGLDXKSZIVEGS-UHFFFAOYSA-N 1 0 240.376 1.253 10 0 BDAERO CCC[NH+]1CCN([C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000037157879 169203139 /nfs/dbraw/zinc/20/31/39/169203139.db2.gz HLDHSCJGRDNIPD-QWHCGFSZSA-N 1 0 225.380 1.141 10 0 BDAERO CCCNC(=O)C[NH2+]C[C@@H](C)CCC ZINC000036780766 169226354 /nfs/dbraw/zinc/22/63/54/169226354.db2.gz RHQJEJZKDSVKOE-JTQLQIEISA-N 1 0 200.326 1.538 10 0 BDAERO CCCNC(=O)C[NH2+]C[C@H](C)c1ccccc1 ZINC000035135807 169226519 /nfs/dbraw/zinc/22/65/19/169226519.db2.gz MNXALOOWCRCLRT-LBPRGKRZSA-N 1 0 234.343 1.906 10 0 BDAERO c1cc(CSC[C@H]2CC[NH2+]C2)ccn1 ZINC000095092761 183355216 /nfs/dbraw/zinc/35/52/16/183355216.db2.gz URBMULWLPOABHG-NSHDSACASA-N 1 0 208.330 1.924 10 0 BDAERO c1cc(COC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000051815862 183355531 /nfs/dbraw/zinc/35/55/31/183355531.db2.gz HQBFGEMXVIQZJV-LBPRGKRZSA-N 1 0 206.289 1.740 10 0 BDAERO c1cc(OCC[C@H]2CCCC[NH2+]2)ncn1 ZINC000051871465 183358230 /nfs/dbraw/zinc/35/82/30/183358230.db2.gz RJLMPVULHUTZEW-SNVBAGLBSA-N 1 0 207.277 1.388 10 0 BDAERO c1cc(C[NH2+]CC2CCOCC2)cc2c1OCO2 ZINC000052175568 183367964 /nfs/dbraw/zinc/36/79/64/183367964.db2.gz SCCQKEZOTMEGSM-UHFFFAOYSA-N 1 0 249.310 1.932 10 0 BDAERO c1cc2c(cc1C[C@H]1CCC[NH2+]1)OCCO2 ZINC000011630863 183369166 /nfs/dbraw/zinc/36/91/66/183369166.db2.gz IQMSNYOBCGAHQJ-LLVKDONJSA-N 1 0 219.284 1.752 10 0 BDAERO CCC[NH2+]CCO[C@H](C)C(=O)N1CCCCC1 ZINC000051844719 169260798 /nfs/dbraw/zinc/26/07/98/169260798.db2.gz MIJGWUGRGJHUPM-GFCCVEGCSA-N 1 0 242.363 1.404 10 0 BDAERO c1cc(C[C@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000057493092 183369810 /nfs/dbraw/zinc/36/98/10/183369810.db2.gz IRWQJDYJIAIJSC-SNVBAGLBSA-N 1 0 205.257 1.710 10 0 BDAERO c1cc2c(cc1[C@@H]1CC[NH2+]C1)OCCO2 ZINC000019785222 183370680 /nfs/dbraw/zinc/37/06/80/183370680.db2.gz QEWMSZVBEQQWFG-SNVBAGLBSA-N 1 0 205.257 1.535 10 0 BDAERO c1cc([C@H]2CSCC[NH2+]2)cc2c1OCO2 ZINC000041242577 183371365 /nfs/dbraw/zinc/37/13/65/183371365.db2.gz ARUJCSBYYHQGPN-SECBINFHSA-N 1 0 223.297 1.793 10 0 BDAERO c1cc([C@H]2[NH2+]CCS2)cc2c1OCO2 ZINC000034238699 183371441 /nfs/dbraw/zinc/37/14/41/183371441.db2.gz KMGUFHCMWXZTMY-JTQLQIEISA-N 1 0 209.270 1.750 10 0 BDAERO c1cc2c(cc1[C@H]1C[NH2+]CCO1)OCCCO2 ZINC000036965086 183371463 /nfs/dbraw/zinc/37/14/63/183371463.db2.gz MFEAUCUHORXKLG-CYBMUJFWSA-N 1 0 235.283 1.509 10 0 BDAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C ZINC000049205323 169242592 /nfs/dbraw/zinc/24/25/92/169242592.db2.gz NACAVMRZTVQKLH-NEPJUHHUSA-N 1 0 243.395 1.077 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1cccc(C)c1 ZINC000076616354 169243794 /nfs/dbraw/zinc/24/37/94/169243794.db2.gz KCNHCCXEBBPZAT-ZDUSSCGKSA-N 1 0 234.343 1.954 10 0 BDAERO CCCNC(=O)[C@H](C)Nc1[nH+]cc(N)cc1C ZINC000052813139 169247665 /nfs/dbraw/zinc/24/76/65/169247665.db2.gz VMXYOWXHEOADFR-VIFPVBQESA-N 1 0 236.319 1.299 10 0 BDAERO CCC[NH2+][C@H](CC[N@H+](C)CC(C)(C)C)C(=O)[O-] ZINC000062523140 169289088 /nfs/dbraw/zinc/28/90/88/169289088.db2.gz ZTSQKOFVHOLPNV-LLVKDONJSA-N 1 0 244.379 1.807 10 0 BDAERO CCC[NH2+]C[C@@]1(O)CCc2ccccc2C1 ZINC000055028463 169263610 /nfs/dbraw/zinc/26/36/10/169263610.db2.gz PBYUJYHEFZARFE-CQSZACIVSA-N 1 0 219.328 1.906 10 0 BDAERO c1ccc(CCC[NH2+]C[C@@H]2CCCO2)nc1 ZINC000076276622 183391296 /nfs/dbraw/zinc/39/12/96/183391296.db2.gz JLIVCNPAJLGDGH-ZDUSSCGKSA-N 1 0 220.316 1.783 10 0 BDAERO CCC[NH2+]C[C@]1(C[C@H]2CCCO2)CCOC1 ZINC000054664746 169264467 /nfs/dbraw/zinc/26/44/67/169264467.db2.gz VPGJKFOWKPTNIA-CHWSQXEVSA-N 1 0 227.348 1.962 10 0 BDAERO CCC[NH2+]Cc1cccc(OCCOCC)n1 ZINC000051524163 169267914 /nfs/dbraw/zinc/26/79/14/169267914.db2.gz KHKXPJIEDPKUKW-UHFFFAOYSA-N 1 0 238.331 1.997 10 0 BDAERO c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000096895854 183399178 /nfs/dbraw/zinc/39/91/78/183399178.db2.gz BGPZXJMIRVNROD-GJZGRUSLSA-N 1 0 246.354 1.639 10 0 BDAERO CCC[NH2+][C@@H](CCN(C)c1ccccc1)C(N)=O ZINC000062440667 169278583 /nfs/dbraw/zinc/27/85/83/169278583.db2.gz HATNSIYKMBJAKV-ZDUSSCGKSA-N 1 0 249.358 1.366 10 0 BDAERO CCC[NH2+][C@@H]1CCN(Cc2ccncc2)C1=O ZINC000049648608 169283296 /nfs/dbraw/zinc/28/32/96/169283296.db2.gz QRCUMHGPUWDHOH-GFCCVEGCSA-N 1 0 233.315 1.182 10 0 BDAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2cccnc2)C1=O ZINC000049648706 169283474 /nfs/dbraw/zinc/28/34/74/169283474.db2.gz ZZDGKERKHSFKGW-WCQYABFASA-N 1 0 247.342 1.743 10 0 BDAERO CCCO[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000040924884 169310494 /nfs/dbraw/zinc/31/04/94/169310494.db2.gz ORYREUMTNAXSGD-SNVBAGLBSA-N 1 0 228.336 1.141 10 0 BDAERO CCCOCc1noc(C[C@@H](CC)[NH2+]CC)n1 ZINC000104064451 169310498 /nfs/dbraw/zinc/31/04/98/169310498.db2.gz NXYPVZNYBFQSOG-SNVBAGLBSA-N 1 0 241.335 1.927 10 0 BDAERO CCCO[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000035234728 169312370 /nfs/dbraw/zinc/31/23/70/169312370.db2.gz MLFBRHWZGIMJTB-SNVBAGLBSA-N 1 0 236.315 1.899 10 0 BDAERO CCCOc1c(C[NH2+]CCO)cccc1OC ZINC000033434595 169314044 /nfs/dbraw/zinc/31/40/44/169314044.db2.gz WVSJNCQLGBGPQT-UHFFFAOYSA-N 1 0 239.315 1.566 10 0 BDAERO CCCOc1cc(NCC[NH+](C)C)ncn1 ZINC000082482312 169315527 /nfs/dbraw/zinc/31/55/27/169315527.db2.gz SLMHNEWATKJSHO-UHFFFAOYSA-N 1 0 224.308 1.239 10 0 BDAERO CCC[NH2+][C@H]1CCN(C2CCOCC2)C1 ZINC000036319888 169291533 /nfs/dbraw/zinc/29/15/33/169291533.db2.gz YAGMOANCAOEEST-NSHDSACASA-N 1 0 212.337 1.239 10 0 BDAERO CCC[NH2+][C@H]1CCC[C@@H]1OCCCOC ZINC000044107645 169291921 /nfs/dbraw/zinc/29/19/21/169291921.db2.gz QGVWTTGDGUNWHK-RYUDHWBXSA-N 1 0 215.337 1.960 10 0 BDAERO CCC[NH2+][C@H]1CCN(CCc2cccnc2)C1=O ZINC000049648832 169292021 /nfs/dbraw/zinc/29/20/21/169292021.db2.gz DFROEIOJAYWYOS-ZDUSSCGKSA-N 1 0 247.342 1.225 10 0 BDAERO c1ccc2[nH]c(NC3CC[NH2+]CC3)nc2c1 ZINC000026898622 183435818 /nfs/dbraw/zinc/43/58/18/183435818.db2.gz CLPYDQPFQYNIDH-UHFFFAOYSA-N 1 0 216.288 1.727 10 0 BDAERO CCC[NH2+][C@H]1COc2c(cccc2OC)C1 ZINC000034217555 169293038 /nfs/dbraw/zinc/29/30/38/169293038.db2.gz XPMKCVMRCFIXKU-LLVKDONJSA-N 1 0 221.300 1.998 10 0 BDAERO CCCOc1ccc(C(N)=[NH2+])cc1OC ZINC000019514996 169317016 /nfs/dbraw/zinc/31/70/16/169317016.db2.gz UUWRRYQMUCNKRK-UHFFFAOYSA-N 1 0 208.261 1.768 10 0 BDAERO CCCNc1ncccc1C[N@@H+]1CCC[C@@H]1CO ZINC000052728247 169296861 /nfs/dbraw/zinc/29/68/61/169296861.db2.gz WVVOMRJSWANQQK-CYBMUJFWSA-N 1 0 249.358 1.860 10 0 BDAERO c1ccc2c(c1)O[C@H](C1=[NH+]CCN1)CS2 ZINC000013806014 183453449 /nfs/dbraw/zinc/45/34/49/183453449.db2.gz NHKWHEDMJNHDOH-VIFPVBQESA-N 1 0 220.297 1.541 10 0 BDAERO CCC[C@@H](C(=O)N1CCC[C@@H]1C)[NH+](C)C ZINC000124308162 169343704 /nfs/dbraw/zinc/34/37/04/169343704.db2.gz WUFVDQBVYOPVHG-QWRGUYRKSA-N 1 0 212.337 1.728 10 0 BDAERO CCCOc1ccc(N(C)C(=O)C[NH2+]C)cc1 ZINC000107290738 169319485 /nfs/dbraw/zinc/31/94/85/169319485.db2.gz MIKQVOYGHWRGBY-UHFFFAOYSA-N 1 0 236.315 1.658 10 0 BDAERO c1ccc2nc(NCC[NH2+]C3CC3)cnc2c1 ZINC000054267944 183458278 /nfs/dbraw/zinc/45/82/78/183458278.db2.gz FHCXNDBHPKXENJ-UHFFFAOYSA-N 1 0 228.299 1.794 10 0 BDAERO CCCOc1ccc([C@@H]([NH2+]C)C(=O)NC)cc1 ZINC000098126145 169321298 /nfs/dbraw/zinc/32/12/98/169321298.db2.gz DNWGNYFYRAFAMP-GFCCVEGCSA-N 1 0 236.315 1.482 10 0 BDAERO CCCS(=O)(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000075417010 169329551 /nfs/dbraw/zinc/32/95/51/169329551.db2.gz AMLRDSCTOSADNG-LLVKDONJSA-N 1 0 227.329 1.511 10 0 BDAERO CCCS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000063046518 169334865 /nfs/dbraw/zinc/33/48/65/169334865.db2.gz WGSVXKXYFMWEHU-UHFFFAOYSA-N 1 0 227.329 1.372 10 0 BDAERO c1ccc2c(c1)OCC[C@H]2N1CC[NH2+]CC1 ZINC000038086588 183451754 /nfs/dbraw/zinc/45/17/54/183451754.db2.gz PIUGFXSCAHKECM-GFCCVEGCSA-N 1 0 218.300 1.415 10 0 BDAERO CCC[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037481694 169367983 /nfs/dbraw/zinc/36/79/83/169367983.db2.gz JJWMLTLBNCJNDY-KPPDAEKUSA-N 1 0 212.337 1.809 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@@H](C)N(CC)CCC[NH3+] ZINC000034960302 169368808 /nfs/dbraw/zinc/36/88/08/169368808.db2.gz VNOMUCMFNDXWQR-VXGBXAGGSA-N 1 0 243.395 1.350 10 0 BDAERO CCC[C@@H](CC)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000103474124 169380735 /nfs/dbraw/zinc/38/07/35/169380735.db2.gz LVQBZTJJXKKYEP-GHMZBOCLSA-N 1 0 240.347 1.691 10 0 BDAERO CCC[C@@H](CC[NH3+])C(=O)NC(C)(C)C ZINC000076582808 169382276 /nfs/dbraw/zinc/38/22/76/169382276.db2.gz WSHQTLGVNIUKJJ-VIFPVBQESA-N 1 0 200.326 1.666 10 0 BDAERO CCC[C@@H](C[NH3+])CC(=O)NC1CCCC1 ZINC000076585545 169383662 /nfs/dbraw/zinc/38/36/62/169383662.db2.gz IVEVVVGOONOWQY-SNVBAGLBSA-N 1 0 212.337 1.810 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819579 169388506 /nfs/dbraw/zinc/38/85/06/169388506.db2.gz OGZUWIIZLVYQLN-PWSUYJOCSA-N 1 0 235.331 1.806 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC1(CCOCC)CC1 ZINC000182694085 169389016 /nfs/dbraw/zinc/38/90/16/169389016.db2.gz ISMFDPZUKWXJFQ-LLVKDONJSA-N 1 0 242.363 1.437 10 0 BDAERO COC1CC([NH2+][C@H](CC(C)C)CN(C)C)C1 ZINC000221106217 134317076 /nfs/dbraw/zinc/31/70/76/134317076.db2.gz FBODDRILYMIFKM-OTTFEQOBSA-N 1 0 228.380 1.730 10 0 BDAERO c1nc(-c2noc([C@H]3CCC[NH2+]C3)n2)cs1 ZINC000083336567 183527338 /nfs/dbraw/zinc/52/73/38/183527338.db2.gz TVMMHQYJHHMGTQ-ZETCQYMHSA-N 1 0 236.300 1.660 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227431456 169440659 /nfs/dbraw/zinc/44/06/59/169440659.db2.gz QSTYUXDQZOUCRE-DDHJBXDOSA-N 1 0 224.348 1.666 10 0 BDAERO Cc1nccc(C[NH2+]CC[C@@H]2CCCCO2)n1 ZINC000223831824 134342886 /nfs/dbraw/zinc/34/28/86/134342886.db2.gz UVURNYHYWYVZHJ-ZDUSSCGKSA-N 1 0 235.331 1.834 10 0 BDAERO CCC[C@H]([NH3+])CN1CCOC(C)(C)C1 ZINC000036873707 169504609 /nfs/dbraw/zinc/50/46/09/169504609.db2.gz CLJCOCAGHZSLBL-JTQLQIEISA-N 1 0 200.326 1.225 10 0 BDAERO CC(C)(C)OC(=O)NC1(C[NH3+])CCC1 ZINC000071791147 166660021 /nfs/dbraw/zinc/66/00/21/166660021.db2.gz AIGGYPMSVWHJQS-UHFFFAOYSA-N 1 0 200.282 1.393 10 0 BDAERO Cc1cnn(CC[NH2+]C[C@H]2CCCOC2)c1 ZINC000225362442 134355149 /nfs/dbraw/zinc/35/51/49/134355149.db2.gz TZPZUOQJGZTUHI-GFCCVEGCSA-N 1 0 223.320 1.208 10 0 BDAERO CCCc1noc(COCCC[NH2+]C(C)C)n1 ZINC000051863973 169603881 /nfs/dbraw/zinc/60/38/81/169603881.db2.gz KQMNNIBSQWFWQT-UHFFFAOYSA-N 1 0 241.335 1.927 10 0 BDAERO COC(C)(C)CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401897928 532951441 /nfs/dbraw/zinc/95/14/41/532951441.db2.gz LNCBKZBXWBKLHB-QWRGUYRKSA-N 1 0 215.337 1.504 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](O)COC)C1 ZINC000228159534 259636704 /nfs/dbraw/zinc/63/67/04/259636704.db2.gz KESQSNQNAHTFLL-IJLUTSLNSA-N 1 0 215.337 1.552 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313072632 383836320 /nfs/dbraw/zinc/83/63/20/383836320.db2.gz XXKUGJHLFPGGCQ-NWDGAFQWSA-N 1 0 245.363 1.179 10 0 BDAERO CCC[C@H](C)[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000187686976 383879409 /nfs/dbraw/zinc/87/94/09/383879409.db2.gz AUEJNOYEMPWBED-QWHCGFSZSA-N 1 0 228.380 1.564 10 0 BDAERO Cc1cncc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000295842753 383860450 /nfs/dbraw/zinc/86/04/50/383860450.db2.gz CZOPNJYXTGBMNE-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)CCO1 ZINC000309397205 383870665 /nfs/dbraw/zinc/87/06/65/383870665.db2.gz GUCKQXLWCMNVCF-FDYHWXHSSA-N 1 0 227.348 1.695 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2csc(C)c2)C1 ZINC000309275058 383831640 /nfs/dbraw/zinc/83/16/40/383831640.db2.gz LZVCMGPPINHXGW-RYUDHWBXSA-N 1 0 241.356 1.638 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCSC1 ZINC000409435276 383835008 /nfs/dbraw/zinc/83/50/08/383835008.db2.gz UBIUELBUAJWAAK-UWVGGRQHSA-N 1 0 228.361 1.092 10 0 BDAERO CCc1nc(CC[NH2+]C2CC(C)(C)C2)no1 ZINC000309669194 383889368 /nfs/dbraw/zinc/88/93/68/383889368.db2.gz VJKWDFOIMVLGTR-UHFFFAOYSA-N 1 0 223.320 1.953 10 0 BDAERO CC(C)COC(=O)N1[C@H]2C[NH2+]C[C@H]2C[C@@H]1C ZINC000036263665 383892237 /nfs/dbraw/zinc/89/22/37/383892237.db2.gz RYIGOQFWMTVKTB-AXFHLTTASA-N 1 0 226.320 1.461 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ncc[nH]1 ZINC000278487367 384002021 /nfs/dbraw/zinc/00/20/21/384002021.db2.gz BFAVDLMYURDNHP-AXFHLTTASA-N 1 0 223.320 1.611 10 0 BDAERO CN[C@H](C[NH3+])c1ccc(Br)s1 ZINC000050269917 383991623 /nfs/dbraw/zinc/99/16/23/383991623.db2.gz AWXBYWAJCSEWEP-RXMQYKEDSA-N 1 0 235.150 1.730 10 0 BDAERO C[NH+](C)C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000113513095 383992478 /nfs/dbraw/zinc/99/24/78/383992478.db2.gz NKZOSHOUBNQPDC-QMMMGPOBSA-N 1 0 210.243 1.432 10 0 BDAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cc1C ZINC000643614701 384017994 /nfs/dbraw/zinc/01/79/94/384017994.db2.gz IHLSERIHAFJCIN-GFCCVEGCSA-N 1 0 248.326 1.478 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CO1 ZINC000401794676 384019900 /nfs/dbraw/zinc/01/99/00/384019900.db2.gz PSHMYXKEBZGDIW-OPRDCNLKSA-N 1 0 201.310 1.160 10 0 BDAERO CCC[C@H](C)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643616086 384006377 /nfs/dbraw/zinc/00/63/77/384006377.db2.gz ITFKQNUZKLBXGT-JQWIXIFHSA-N 1 0 228.336 1.060 10 0 BDAERO C[C@H]1[C@H](O)CCCN1CC(=O)Nc1ccccc1 ZINC000296305584 384042030 /nfs/dbraw/zinc/04/20/30/384042030.db2.gz PNYBLQCGKIQSCD-WCQYABFASA-N 1 0 248.326 1.470 10 0 BDAERO Cc1cc(F)c(C(=O)NCC[C@@H](C)[NH3+])cc1F ZINC000178621459 384091744 /nfs/dbraw/zinc/09/17/44/384091744.db2.gz MPPHLDYUTVIFEQ-MRVPVSSYSA-N 1 0 242.269 1.740 10 0 BDAERO COC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090981387 384085310 /nfs/dbraw/zinc/08/53/10/384085310.db2.gz GCXVQOUPJZQXAX-GXTWGEPZSA-N 1 0 245.322 1.964 10 0 BDAERO [NH3+]Cc1cnc(Cc2cccs2)nc1 ZINC000054855372 384065279 /nfs/dbraw/zinc/06/52/79/384065279.db2.gz IKSACWAIDBWNHI-UHFFFAOYSA-N 1 0 205.286 1.588 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+][C@@H]2CCCOC2)C1(C)C ZINC000309476277 384090938 /nfs/dbraw/zinc/09/09/38/384090938.db2.gz RTYQTJKKJNZOKF-IRCOFANPSA-N 1 0 227.348 1.815 10 0 BDAERO C[C@H](NC1=[NH+]CCS1)[C@@H]1CCCO1 ZINC000035736403 384096884 /nfs/dbraw/zinc/09/68/84/384096884.db2.gz OEYWDEJRXGHIFE-YUMQZZPRSA-N 1 0 200.307 1.246 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cccc2ccncc21 ZINC000648131906 384103094 /nfs/dbraw/zinc/10/30/94/384103094.db2.gz WHXHYYQLOOXUGN-SNVBAGLBSA-N 1 0 243.310 1.573 10 0 BDAERO C[NH2+][C@@H]1CCc2c(ccc(OC)c2OC)C1 ZINC000005700680 384109101 /nfs/dbraw/zinc/10/91/01/384109101.db2.gz TWLQXTYICBLGEN-SNVBAGLBSA-N 1 0 221.300 1.781 10 0 BDAERO CN(CCOCC[NH3+])c1nccc2ccccc21 ZINC000302290224 384132320 /nfs/dbraw/zinc/13/23/20/384132320.db2.gz CSNIMGHKXWSMRT-UHFFFAOYSA-N 1 0 245.326 1.646 10 0 BDAERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC000642693149 384146053 /nfs/dbraw/zinc/14/60/53/384146053.db2.gz XYVZYDQIVAJNQL-IJLUTSLNSA-N 1 0 224.348 1.681 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2cccc(O)c2)C1 ZINC000071140100 384152458 /nfs/dbraw/zinc/15/24/58/384152458.db2.gz GZUGGPIHEGRXSO-GFCCVEGCSA-N 1 0 248.326 1.097 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000091667012 384138228 /nfs/dbraw/zinc/13/82/28/384138228.db2.gz MBLDJKXSFLDXSK-UKRRQHHQSA-N 1 0 248.370 1.976 10 0 BDAERO c1ccn(-c2nc3c(s2)C[NH2+]CC3)c1 ZINC000041054357 384176183 /nfs/dbraw/zinc/17/61/83/384176183.db2.gz ZJEKEFQHTCUYGJ-UHFFFAOYSA-N 1 0 205.286 1.580 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCO[C@@H]2C)C1 ZINC000227971120 134395838 /nfs/dbraw/zinc/39/58/38/134395838.db2.gz QCFPZQSKEPPQLL-NDBYEHHHSA-N 1 0 227.348 1.695 10 0 BDAERO C[NH2+][C@H](CCO)c1ccc2c(c1)OCCO2 ZINC000071524911 384169635 /nfs/dbraw/zinc/16/96/35/384169635.db2.gz FWPYWYVTGRCYQQ-SNVBAGLBSA-N 1 0 223.272 1.101 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000080993955 384177291 /nfs/dbraw/zinc/17/72/91/384177291.db2.gz LACRAJXUNOXTLB-KOLCDFICSA-N 1 0 210.321 1.433 10 0 BDAERO FC1(F)CN(C[C@@H]2CCC[NH2+]C2)CC1(F)F ZINC000313276101 384204109 /nfs/dbraw/zinc/20/41/09/384204109.db2.gz BMVMVFYTXLCEQA-MRVPVSSYSA-N 1 0 240.244 1.572 10 0 BDAERO COC[C@@]1(C(=O)NCCC(C)(C)C)CCC[NH2+]1 ZINC000643628326 384186153 /nfs/dbraw/zinc/18/61/53/384186153.db2.gz NXGDSNPSJZNEHT-CYBMUJFWSA-N 1 0 242.363 1.307 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CO1 ZINC000401877186 384188264 /nfs/dbraw/zinc/18/82/64/384188264.db2.gz FXDBNZYCRLKZQH-NOOOWODRSA-N 1 0 213.321 1.305 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000227907976 134398999 /nfs/dbraw/zinc/39/89/99/134398999.db2.gz GTBPGMHCLSACHY-NWDGAFQWSA-N 1 0 247.404 1.601 10 0 BDAERO Cc1ncc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)s1 ZINC000334744829 384198241 /nfs/dbraw/zinc/19/82/41/384198241.db2.gz ARALDWNUNFNGER-PSASIEDQSA-N 1 0 226.345 1.654 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)o1 ZINC000282338926 384238069 /nfs/dbraw/zinc/23/80/69/384238069.db2.gz MBGFEJSFEQRXSC-ONGXEEELSA-N 1 0 222.288 1.345 10 0 BDAERO CCC(CC)(CC)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643714377 384239378 /nfs/dbraw/zinc/23/93/78/384239378.db2.gz RTUVSZKPNGMJJX-LLVKDONJSA-N 1 0 242.363 1.307 10 0 BDAERO CC1(C)[C@@H]([NH2+][C@@H]2CCCOC2)[C@@H]2CCO[C@@H]21 ZINC000082944455 384276988 /nfs/dbraw/zinc/27/69/88/384276988.db2.gz ZFSUTOZJDHQIPE-RHYQMDGZSA-N 1 0 225.332 1.569 10 0 BDAERO CCOCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699513 384255936 /nfs/dbraw/zinc/25/59/36/384255936.db2.gz VYYZFJUYAOAZLK-RYUDHWBXSA-N 1 0 212.337 1.191 10 0 BDAERO Cc1c(C[NH2+]CCCn2ccnc2)cnn1C ZINC000093649389 384256757 /nfs/dbraw/zinc/25/67/57/384256757.db2.gz GSHNMGZYGCIIFF-UHFFFAOYSA-N 1 0 233.319 1.105 10 0 BDAERO [NH3+][C@H]1CCOC[C@@H]1Cc1cccc(F)c1 ZINC000074155754 384275399 /nfs/dbraw/zinc/27/53/99/384275399.db2.gz KLBFYQWSIWEERV-JQWIXIFHSA-N 1 0 209.264 1.732 10 0 BDAERO CCC[C@@H](C(=O)Nc1cnn(C)c1C)[NH+](C)C ZINC000179617943 384313286 /nfs/dbraw/zinc/31/32/86/384313286.db2.gz OGAWWLZHECLQKT-NSHDSACASA-N 1 0 238.335 1.397 10 0 BDAERO CCSCC[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000174083012 384300185 /nfs/dbraw/zinc/30/01/85/384300185.db2.gz WTSOAUNLRNFHAV-GFCCVEGCSA-N 1 0 246.420 1.128 10 0 BDAERO Cc1cnc(OC[C@H]2CCC[NH2+]C2)nc1Cl ZINC000095069350 384335001 /nfs/dbraw/zinc/33/50/01/384335001.db2.gz BZYLTIPXXYTLFF-VIFPVBQESA-N 1 0 241.722 1.817 10 0 BDAERO Clc1nccnc1CO[C@@H]1CC[NH2+]C1 ZINC000095070379 384337228 /nfs/dbraw/zinc/33/72/28/384337228.db2.gz GERORGVWUSKRQX-SSDOTTSWSA-N 1 0 213.668 1.009 10 0 BDAERO CN(c1cnc2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000095070524 384337339 /nfs/dbraw/zinc/33/73/39/384337339.db2.gz PAZVGXZEISHVAR-LLVKDONJSA-N 1 0 242.326 1.818 10 0 BDAERO Cc1ccnc(N(C)C[C@H]2CCCC[NH2+]2)c1 ZINC000095070801 384338935 /nfs/dbraw/zinc/33/89/35/384338935.db2.gz VVISJLYRBGQQGV-GFCCVEGCSA-N 1 0 219.332 1.968 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)c1cnc2ccccc2n1 ZINC000095071253 384339287 /nfs/dbraw/zinc/33/92/87/384339287.db2.gz KNYONFKAUDTFEA-NSHDSACASA-N 1 0 242.326 1.676 10 0 BDAERO Cc1cnc(N(C)C[C@@H]2CC[NH2+]C2)nc1Cl ZINC000095071206 384339537 /nfs/dbraw/zinc/33/95/37/384339537.db2.gz GMOHOFWHAHINCA-SECBINFHSA-N 1 0 240.738 1.484 10 0 BDAERO COc1nccnc1COC[C@@H]1CCCC[NH2+]1 ZINC000095071643 384341217 /nfs/dbraw/zinc/34/12/17/384341217.db2.gz PYPICMSCKXMXIU-JTQLQIEISA-N 1 0 237.303 1.144 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2cc(C)nc(Cl)n2)C1 ZINC000095071426 384341456 /nfs/dbraw/zinc/34/14/56/384341456.db2.gz RTINJOWNWVPTOM-SECBINFHSA-N 1 0 240.738 1.627 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1Nc1ccnc(Cl)n1 ZINC000095072207 384342681 /nfs/dbraw/zinc/34/26/81/384342681.db2.gz NPLFWUZACKCWCN-JGVFFNPUSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)c1ccco1 ZINC000095072257 384342966 /nfs/dbraw/zinc/34/29/66/384342966.db2.gz VTZMRTRKMYSPDY-NXEZZACHSA-N 1 0 222.288 1.322 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1ccc(Cl)nn1 ZINC000095072314 384343840 /nfs/dbraw/zinc/34/38/40/384343840.db2.gz MKYXLVKALSNTEO-ZJUUUORDSA-N 1 0 240.738 1.490 10 0 BDAERO Nc1nc2ccccc2nc1NC[C@@H]1CC[NH2+]C1 ZINC000095072176 384343905 /nfs/dbraw/zinc/34/39/05/384343905.db2.gz JZUSEGSAJWMEAG-SECBINFHSA-N 1 0 243.314 1.233 10 0 BDAERO [NH3+]C[C@H]1CCCCN1Cc1ccnc(Cl)n1 ZINC000095072455 384343994 /nfs/dbraw/zinc/34/39/94/384343994.db2.gz QLZVZYIQSQISBK-SNVBAGLBSA-N 1 0 240.738 1.443 10 0 BDAERO O=C(COC[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095072887 384346064 /nfs/dbraw/zinc/34/60/64/384346064.db2.gz DVONHUQFFGFOIY-LLVKDONJSA-N 1 0 234.299 1.281 10 0 BDAERO O=[S@](c1nccs1)[C@H]1CCC[NH2+]C1 ZINC000095073392 384347443 /nfs/dbraw/zinc/34/74/43/384347443.db2.gz WFUIYFJQEJYKGO-WPPNPWJKSA-N 1 0 216.331 1.003 10 0 BDAERO O=[S@@](C[C@H]1CCC[NH2+]C1)c1ccncc1 ZINC000095073598 384347619 /nfs/dbraw/zinc/34/76/19/384347619.db2.gz HVDSABVYZODSCJ-ZUZCIYMTSA-N 1 0 224.329 1.189 10 0 BDAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1nc2ccccc2[nH]1 ZINC000095073556 384347838 /nfs/dbraw/zinc/34/78/38/384347838.db2.gz KRFCPNBDRZEBFB-HUTHGQBESA-N 1 0 249.339 1.423 10 0 BDAERO O=[S@@](Cc1cncs1)C[C@H]1CC[NH2+]C1 ZINC000095073703 384350534 /nfs/dbraw/zinc/35/05/34/384350534.db2.gz PNRSIUXPNJGZIY-RTHLEPHNSA-N 1 0 230.358 1.001 10 0 BDAERO [NH3+][C@@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000159742179 384351760 /nfs/dbraw/zinc/35/17/60/384351760.db2.gz JEBLQMYGHWVADC-SSDOTTSWSA-N 1 0 212.684 1.058 10 0 BDAERO CC(=O)N(CC1CC[NH2+]CC1)C(F)(F)F ZINC000095082787 384360637 /nfs/dbraw/zinc/36/06/37/384360637.db2.gz CSXARBCMTKIKPK-UHFFFAOYSA-N 1 0 224.226 1.354 10 0 BDAERO C[C@H](C1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000095088677 384361364 /nfs/dbraw/zinc/36/13/64/384361364.db2.gz SXOXUYMPPQNOKB-SECBINFHSA-N 1 0 228.336 1.803 10 0 BDAERO c1cncc(COCCC2CC[NH2+]CC2)c1 ZINC000095092508 384361501 /nfs/dbraw/zinc/36/15/01/384361501.db2.gz BVRRYPRCUQKSSJ-UHFFFAOYSA-N 1 0 220.316 1.988 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1cccnc1 ZINC000335597221 384362388 /nfs/dbraw/zinc/36/23/88/384362388.db2.gz QQMAEKQBGFHVKW-WCQYABFASA-N 1 0 220.316 1.469 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1sccc1N ZINC000134534790 384363603 /nfs/dbraw/zinc/36/36/03/384363603.db2.gz RZKITFCGNYLZGG-CBAPKCEASA-N 1 0 212.318 1.597 10 0 BDAERO Cc1cnn(CC[N@H+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000335596260 384363965 /nfs/dbraw/zinc/36/39/65/384363965.db2.gz HBOYGFARCFGOBS-NWDGAFQWSA-N 1 0 223.320 1.037 10 0 BDAERO C([NH2+][C@@H]1CCSC1)[C@@H]1CC12CCOCC2 ZINC000335602592 384372400 /nfs/dbraw/zinc/37/24/00/384372400.db2.gz NZFPNRUAVMXZOC-WDEREUQCSA-N 1 0 227.373 1.898 10 0 BDAERO C[C@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1ccc[nH]1 ZINC000095068304 384329579 /nfs/dbraw/zinc/32/95/79/384329579.db2.gz BNGCEMOQZAFMLM-JBLDHEPKSA-N 1 0 207.321 1.935 10 0 BDAERO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068373 384330580 /nfs/dbraw/zinc/33/05/80/384330580.db2.gz OPGHEEIQYQIDLS-GHMZBOCLSA-N 1 0 220.320 1.127 10 0 BDAERO Clc1cnc(OCCC2CC[NH2+]CC2)nc1 ZINC000095070060 384333893 /nfs/dbraw/zinc/33/38/93/384333893.db2.gz JRNJAXMRIXMXMW-UHFFFAOYSA-N 1 0 241.722 1.899 10 0 BDAERO [NH3+][C@H]1CCCc2cn(CC(F)(F)F)nc21 ZINC000095829229 384400005 /nfs/dbraw/zinc/40/00/05/384400005.db2.gz ANSGDWDSGHKSPN-ZETCQYMHSA-N 1 0 219.210 1.782 10 0 BDAERO CN(C)c1nccc(C[C@H]2CCC[NH2+]C2)n1 ZINC000095830594 384400839 /nfs/dbraw/zinc/40/08/39/384400839.db2.gz OQDTXZAMLUTVLL-SNVBAGLBSA-N 1 0 220.320 1.085 10 0 BDAERO COC(=O)CSC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095908600 384408360 /nfs/dbraw/zinc/40/83/60/384408360.db2.gz IAHLXNRGRWKXQI-JVHMLUBASA-N 1 0 215.318 1.176 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2ccon2)c2ccccc21 ZINC000616676018 384411207 /nfs/dbraw/zinc/41/12/07/384411207.db2.gz VVEPUGLUXSEKLV-LLVKDONJSA-N 1 0 243.310 1.975 10 0 BDAERO C[C@@H](C[NH3+])Sc1nnc2ccccn21 ZINC000061407293 384427260 /nfs/dbraw/zinc/42/72/60/384427260.db2.gz ZZENIPKYZYDKIK-ZETCQYMHSA-N 1 0 208.290 1.169 10 0 BDAERO COC[C@H](C)[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000309489153 384379617 /nfs/dbraw/zinc/37/96/17/384379617.db2.gz WMSRRNGDPZRONN-IRCOFANPSA-N 1 0 227.348 1.815 10 0 BDAERO CCC[C@@H](CC)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643666520 384444122 /nfs/dbraw/zinc/44/41/22/384444122.db2.gz OYKPZGHFVLWEIV-DGCLKSJQSA-N 1 0 242.363 1.450 10 0 BDAERO [NH3+]Cc1nc(Br)ccc1Cl ZINC000156746617 384483130 /nfs/dbraw/zinc/48/31/30/384483130.db2.gz XPPOHRKGGLOJQQ-UHFFFAOYSA-N 1 0 221.485 1.956 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000122705547 384503534 /nfs/dbraw/zinc/50/35/34/384503534.db2.gz LMDFWLUJWQQCOE-OPRDCNLKSA-N 1 0 224.308 1.126 10 0 BDAERO CN(C)c1ccc(N[C@H]2CCC[NH2+]CC2)cn1 ZINC000097053985 384491955 /nfs/dbraw/zinc/49/19/55/384491955.db2.gz WEEPSNPAXFSEPX-NSHDSACASA-N 1 0 234.347 1.702 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000282520977 384516631 /nfs/dbraw/zinc/51/66/31/384516631.db2.gz YEOBVRCFZGWWBE-GARJFASQSA-N 1 0 208.305 1.352 10 0 BDAERO C[C@H]([NH3+])[C@H](C)N=c1[nH]c2ccccc2s1 ZINC000335846178 384527591 /nfs/dbraw/zinc/52/75/91/384527591.db2.gz IFIZFLZNOPETRR-YUMQZZPRSA-N 1 0 221.329 1.866 10 0 BDAERO c1csc(N2CCC([NH2+]C3COC3)CC2)c1 ZINC000309701929 384547405 /nfs/dbraw/zinc/54/74/05/384547405.db2.gz TWJRAVPWTAFGLI-UHFFFAOYSA-N 1 0 238.356 1.705 10 0 BDAERO COCC[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000176108922 384550380 /nfs/dbraw/zinc/55/03/80/384550380.db2.gz LPJZNUOSSJTGLE-NSHDSACASA-N 1 0 211.309 1.206 10 0 BDAERO CC[C@@H](CO)[N@@H+]1Cc2cccc(N)c2C1 ZINC000011730937 384537442 /nfs/dbraw/zinc/53/74/42/384537442.db2.gz NYXMHLDZAUNSOJ-JTQLQIEISA-N 1 0 206.289 1.355 10 0 BDAERO [NH3+]Cc1cnc2ccc(Br)cn12 ZINC000019767718 384538366 /nfs/dbraw/zinc/53/83/66/384538366.db2.gz FDFWNZVPMCPDRM-UHFFFAOYSA-N 1 0 226.077 1.556 10 0 BDAERO CC[C@H]1CC[N@H+](Cc2nnc(C)n2CC)C1 ZINC000176250783 384583319 /nfs/dbraw/zinc/58/33/19/384583319.db2.gz VZSFPJCSMQHAPM-NSHDSACASA-N 1 0 222.336 1.838 10 0 BDAERO Cc1ccc(NC(=O)NC[C@H]2CC[NH2+]C2)s1 ZINC000258447351 384585871 /nfs/dbraw/zinc/58/58/71/384585871.db2.gz JYGZMAAYARHYDY-VIFPVBQESA-N 1 0 239.344 1.788 10 0 BDAERO O=C(Nc1cnn(CC2CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000178163627 384603509 /nfs/dbraw/zinc/60/35/09/384603509.db2.gz AJOGUSNNOAPGQI-NSHDSACASA-N 1 0 248.330 1.231 10 0 BDAERO c1ccc2oc(CN3CC[NH2+]CC3)nc2c1 ZINC000020286741 384610344 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/nfs/dbraw/zinc/85/28/66/384852866.db2.gz IKSVZAZIOXSKBR-OLZOCXBDSA-N 1 0 202.301 1.480 10 0 BDAERO Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084237430 384853201 /nfs/dbraw/zinc/85/32/01/384853201.db2.gz WZFWCECITQEJLD-IUCAKERBSA-N 1 0 243.738 1.324 10 0 BDAERO CCSCC[NH2+][C@@H]1CCCN(CC)C1 ZINC000308600517 384860324 /nfs/dbraw/zinc/86/03/24/384860324.db2.gz OEMSVOCKSKKXMF-LLVKDONJSA-N 1 0 216.394 1.813 10 0 BDAERO CNc1cc([C@@H](O)C[NH2+]C(C)(C)C)ccc1O ZINC000026015410 384866330 /nfs/dbraw/zinc/86/63/30/384866330.db2.gz JBXKKXNLGHSJEJ-LBPRGKRZSA-N 1 0 238.331 1.855 10 0 BDAERO c1cnc(OCC2CC[NH+](CC3CC3)CC2)nc1 ZINC000013730192 384868235 /nfs/dbraw/zinc/86/82/35/384868235.db2.gz UQCMDZMOZPGVIY-UHFFFAOYSA-N 1 0 247.342 1.977 10 0 BDAERO Fc1ccc(CNC[C@@H]2CC[NH2+]C2)cc1F ZINC000258940309 384952108 /nfs/dbraw/zinc/95/21/08/384952108.db2.gz QJDCTRHHLBWDTK-SNVBAGLBSA-N 1 0 226.270 1.664 10 0 BDAERO CC[C@@](C)([NH3+])c1noc(C(F)(F)Cl)n1 ZINC000156779605 384957119 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/nfs/dbraw/zinc/00/12/77/385001277.db2.gz LCZDPKZFVYYZKQ-WXRRBKDZSA-N 1 0 229.364 1.800 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@H](C)C(C)C)[nH]1 ZINC000086329613 385011759 /nfs/dbraw/zinc/01/17/59/385011759.db2.gz SZYIHAQVIJIBOK-SECBINFHSA-N 1 0 224.304 1.935 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)cn1 ZINC000128544708 385048213 /nfs/dbraw/zinc/04/82/13/385048213.db2.gz WYJRATMHBSTPSO-SNVBAGLBSA-N 1 0 231.303 1.133 10 0 BDAERO Cc1c(C[NH2+]CCc2nccs2)cnn1C ZINC000086552084 385027632 /nfs/dbraw/zinc/02/76/32/385027632.db2.gz QKMNEXUZVPUANO-UHFFFAOYSA-N 1 0 236.344 1.517 10 0 BDAERO Cc1ccnc(N(C)CC2CC[NH2+]CC2)c1 ZINC000086703944 385041281 /nfs/dbraw/zinc/04/12/81/385041281.db2.gz QKPVLURXFSONBZ-UHFFFAOYSA-N 1 0 219.332 1.826 10 0 BDAERO C[C@@H](O)C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000644638984 385042670 /nfs/dbraw/zinc/04/26/70/385042670.db2.gz RWGGPXUEOJAPRG-OPRDCNLKSA-N 1 0 201.310 1.160 10 0 BDAERO COC[C@@]1(C(=O)Nc2ccsc2)CCC[NH2+]1 ZINC000643700503 385119453 /nfs/dbraw/zinc/11/94/53/385119453.db2.gz CDCHKOJPYNGROC-LLVKDONJSA-N 1 0 240.328 1.455 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000119487047 385093452 /nfs/dbraw/zinc/09/34/52/385093452.db2.gz HRMWIEUGMBUFPF-JQWIXIFHSA-N 1 0 229.320 1.032 10 0 BDAERO CCC[C@H](C(=O)NCc1ccncc1C)[NH+](C)C ZINC000188861751 385098157 /nfs/dbraw/zinc/09/81/57/385098157.db2.gz KZVWJWSLKUFXKN-CYBMUJFWSA-N 1 0 249.358 1.737 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CCCCCF)C1 ZINC000308813082 385181295 /nfs/dbraw/zinc/18/12/95/385181295.db2.gz DFSRWCZQXFCMOH-MNOVXSKESA-N 1 0 219.300 1.208 10 0 BDAERO Cc1nc(N2C[C@H]([NH3+])C[C@@H]2C)sc1C ZINC000307590153 385198168 /nfs/dbraw/zinc/19/81/68/385198168.db2.gz BPQCSLOSCSMTCZ-IMTBSYHQSA-N 1 0 211.334 1.686 10 0 BDAERO CC[C@H]1CN(C(=O)C2CC(C)C2)CC[C@H]1[NH3+] ZINC000647013880 385145563 /nfs/dbraw/zinc/14/55/63/385145563.db2.gz QCNJMGZOVIKGRS-POSLAHMBSA-N 1 0 224.348 1.618 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000308803785 385177914 /nfs/dbraw/zinc/17/79/14/385177914.db2.gz AFHFGONUCNVBRU-GRYCIOLGSA-N 1 0 211.305 1.177 10 0 BDAERO CCc1ccc(O)c(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000164664724 385221788 /nfs/dbraw/zinc/22/17/88/385221788.db2.gz NMDWPBKLFWTDNS-VIFPVBQESA-N 1 0 248.326 1.749 10 0 BDAERO [NH3+]CCc1cnc2ccc(Br)cn12 ZINC000033507404 385241397 /nfs/dbraw/zinc/24/13/97/385241397.db2.gz SKQPYGWMCWVVGC-UHFFFAOYSA-N 1 0 240.104 1.598 10 0 BDAERO [NH3+]C[C@H]1C[C@@H](F)CN1Cc1cccs1 ZINC000307212293 385254088 /nfs/dbraw/zinc/25/40/88/385254088.db2.gz OWUQEEHZKUTZSJ-RKDXNWHRSA-N 1 0 214.309 1.619 10 0 BDAERO CN1CCO[C@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC000255053354 385270635 /nfs/dbraw/zinc/27/06/35/385270635.db2.gz HHSQFTODCKRPEW-ISALQUGTSA-N 1 0 240.347 1.036 10 0 BDAERO CCCC[NH+]1CCC(n2cncn2)CC1 ZINC000157763082 385275299 /nfs/dbraw/zinc/27/52/99/385275299.db2.gz QXXFBMMMXWORAA-UHFFFAOYSA-N 1 0 208.309 1.715 10 0 BDAERO c1ccc2c(c1)CC[NH2+][C@H]2CN1CCCC1 ZINC000034352273 385280049 /nfs/dbraw/zinc/28/00/49/385280049.db2.gz PBJVNKGUYVIHJW-AWEZNQCLSA-N 1 0 216.328 1.969 10 0 BDAERO O=C(c1cccnc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000215681421 385323071 /nfs/dbraw/zinc/32/30/71/385323071.db2.gz RGGAUHXIXAZGTO-GFCCVEGCSA-N 1 0 216.284 1.606 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000282528778 385301894 /nfs/dbraw/zinc/30/18/94/385301894.db2.gz YWCMETSODCQVQU-CABZTGNLSA-N 1 0 234.299 1.149 10 0 BDAERO c1nn(C[C@H]2CCCO2)cc1C1CC[NH2+]CC1 ZINC000409424578 385332458 /nfs/dbraw/zinc/33/24/58/385332458.db2.gz HCTJPHIEGGOGNE-CYBMUJFWSA-N 1 0 235.331 1.529 10 0 BDAERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cn1 ZINC000158120849 385348761 /nfs/dbraw/zinc/34/87/61/385348761.db2.gz UCRMFBNQOBFNBA-RYUDHWBXSA-N 1 0 236.315 1.341 10 0 BDAERO CC(C)(C)OC(=O)NCC1(C[NH3+])CC1 ZINC000168995085 385398943 /nfs/dbraw/zinc/39/89/43/385398943.db2.gz QDMJKYSNGKLNDA-UHFFFAOYSA-N 1 0 200.282 1.250 10 0 BDAERO C[C@H]1C[C@@H]([NH2+]Cc2nccs2)CN1C ZINC000155831232 385416025 /nfs/dbraw/zinc/41/60/25/385416025.db2.gz WAOLHCGYMKLVIA-DTWKUNHWSA-N 1 0 211.334 1.325 10 0 BDAERO c1cncc(-c2n[nH]c(C[C@H]3CC[NH2+]C3)n2)c1 ZINC000169676328 385416642 /nfs/dbraw/zinc/41/66/42/385416642.db2.gz ZUXQSIBZSDMLOJ-SECBINFHSA-N 1 0 229.287 1.019 10 0 BDAERO CC[C@@H]([NH2+]CC[C@H](O)COC)C(C)(C)C ZINC000309164961 385445224 /nfs/dbraw/zinc/44/52/24/385445224.db2.gz IQEQMGZCWMLVPZ-WDEREUQCSA-N 1 0 217.353 1.798 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccsc2)C1 ZINC000170859966 385450936 /nfs/dbraw/zinc/45/09/36/385450936.db2.gz POQSZNSGKHVNNH-JTQLQIEISA-N 1 0 224.329 1.524 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000170857946 385450941 /nfs/dbraw/zinc/45/09/41/385450941.db2.gz MAQLCQPTNONMQF-VIFPVBQESA-N 1 0 241.722 1.444 10 0 BDAERO Cc1noc(C)c1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170858794 385451732 /nfs/dbraw/zinc/45/17/32/385451732.db2.gz GNGIGLUWXJIJPL-JTQLQIEISA-N 1 0 237.303 1.068 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000295134427 385456131 /nfs/dbraw/zinc/45/61/31/385456131.db2.gz YXYWIZZGNOQWGR-GWCFXTLKSA-N 1 0 248.326 1.131 10 0 BDAERO CC[C@@H]1C[N@H+](C[C@@H](C)OC)CCN1CCOC ZINC000182138224 385432211 /nfs/dbraw/zinc/43/22/11/385432211.db2.gz ILMVYOWJVCDACF-CHWSQXEVSA-N 1 0 244.379 1.064 10 0 BDAERO Cn1cc([C@H]2CCC[N@@H+]2CC2CC2)cn1 ZINC000156096947 385435530 /nfs/dbraw/zinc/43/55/30/385435530.db2.gz UKCXTWMCPWDHCZ-GFCCVEGCSA-N 1 0 205.305 1.967 10 0 BDAERO CC1CC(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000644111786 385488025 /nfs/dbraw/zinc/48/80/25/385488025.db2.gz PBKFAWQIUMVPMM-UHFFFAOYSA-N 1 0 244.338 1.952 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000295157488 385464348 /nfs/dbraw/zinc/46/43/48/385464348.db2.gz KEHTWPLFTAYBRX-QJPTWQEYSA-N 1 0 223.320 1.347 10 0 BDAERO [NH3+]C1([C@H](O)c2cccc(Br)c2)CC1 ZINC000257819542 385503946 /nfs/dbraw/zinc/50/39/46/385503946.db2.gz AKLFHGFWHALRBG-SECBINFHSA-N 1 0 242.116 1.974 10 0 BDAERO COc1cc(C)nc(N[C@@H](C)CCC[NH3+])n1 ZINC000166489755 385506306 /nfs/dbraw/zinc/50/63/06/385506306.db2.gz JHKRMWYWGQLKSQ-QMMMGPOBSA-N 1 0 224.308 1.333 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1nccs1 ZINC000180591613 385530757 /nfs/dbraw/zinc/53/07/57/385530757.db2.gz PPOKYBRVRLHSEZ-RKDXNWHRSA-N 1 0 249.343 1.400 10 0 BDAERO CC[C@H]([NH3+])[C@H](O)c1cc(F)ccc1F ZINC000036779244 385531628 /nfs/dbraw/zinc/53/16/28/385531628.db2.gz LVMHXWFWGUBBTP-VHSXEESVSA-N 1 0 201.216 1.736 10 0 BDAERO CC[NH2+]Cc1cn(C)c(Br)n1 ZINC000258072291 385534169 /nfs/dbraw/zinc/53/41/69/385534169.db2.gz GXKISYWZYQNZRZ-UHFFFAOYSA-N 1 0 218.098 1.292 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000282249429 385540202 /nfs/dbraw/zinc/54/02/02/385540202.db2.gz GMUINNZNIFDQDR-GDLCADMTSA-N 1 0 244.338 1.931 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000282249430 385540274 /nfs/dbraw/zinc/54/02/74/385540274.db2.gz GMUINNZNIFDQDR-LEWSCRJBSA-N 1 0 244.338 1.931 10 0 BDAERO CC(C)c1noc(N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000643041443 385545009 /nfs/dbraw/zinc/54/50/09/385545009.db2.gz YRRZOXYBNDOLEO-JGVFFNPUSA-N 1 0 210.281 1.119 10 0 BDAERO Cc1cnc(N2CCC(C)([NH3+])CC2)nc1C ZINC000643028308 385524019 /nfs/dbraw/zinc/52/40/19/385524019.db2.gz DRFLRJWRMQILGL-UHFFFAOYSA-N 1 0 220.320 1.411 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H]1CC1(C)C ZINC000309373055 385555580 /nfs/dbraw/zinc/55/55/80/385555580.db2.gz CGLMQAXKVMUPGO-SRVKXCTJSA-N 1 0 226.364 1.341 10 0 BDAERO CCCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000309403588 385571400 /nfs/dbraw/zinc/57/14/00/385571400.db2.gz HSFRTOVTBBBOPH-JGPRNRPPSA-N 1 0 210.321 1.657 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1nc2c(s1)CCC2 ZINC000054076646 385594441 /nfs/dbraw/zinc/59/44/41/385594441.db2.gz QOUHMGONXIEERM-ZCFIWIBFSA-N 1 0 225.317 1.178 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cccc(F)c1C ZINC000054076709 385594655 /nfs/dbraw/zinc/59/46/55/385594655.db2.gz YIRHMEBXLMYKRG-MRVPVSSYSA-N 1 0 210.252 1.681 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1F ZINC000054072379 385595896 /nfs/dbraw/zinc/59/58/96/385595896.db2.gz CQWBVOBGPTUFEK-SECBINFHSA-N 1 0 224.279 1.392 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C[C@H](C)O)C1(C)C ZINC000309475117 385596623 /nfs/dbraw/zinc/59/66/23/385596623.db2.gz ROOPFDXLNWAJQO-CSYMLDBXSA-N 1 0 229.364 1.795 10 0 BDAERO CC(=O)c1ccc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)nc1 ZINC000251723532 385630798 /nfs/dbraw/zinc/63/07/98/385630798.db2.gz KADCFFUCUSURTK-ZWNOBZJWSA-N 1 0 247.342 1.671 10 0 BDAERO CC[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000054290867 385610692 /nfs/dbraw/zinc/61/06/92/385610692.db2.gz BBGSHZOBAKNJGN-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@@H](CCO)[NH2+]C1CC(c2ccccn2)C1 ZINC000309503223 385639897 /nfs/dbraw/zinc/63/98/97/385639897.db2.gz BKLCKGOJCMJULC-UNXYVOJBSA-N 1 0 220.316 1.688 10 0 BDAERO Cc1c(C[NH2+][C@H]2CC[C@H](O)CC2)cnn1C ZINC000252725998 385657844 /nfs/dbraw/zinc/65/78/44/385657844.db2.gz KXDIYUPOGXCRNY-HAQNSBGRSA-N 1 0 223.320 1.122 10 0 BDAERO CN(c1ncccc1Cl)C1CC([NH3+])C1 ZINC000307156972 385660486 /nfs/dbraw/zinc/66/04/86/385660486.db2.gz OURAAIXXMHSRBT-UHFFFAOYSA-N 1 0 211.696 1.661 10 0 BDAERO FC1(F)CCC[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000307152729 385662693 /nfs/dbraw/zinc/66/26/93/385662693.db2.gz AMKDIYGKYKBDCE-RKDXNWHRSA-N 1 0 204.264 1.373 10 0 BDAERO [NH3+]Cc1ccc(CNC(=O)c2ccccc2)nc1 ZINC000253560643 385682622 /nfs/dbraw/zinc/68/26/22/385682622.db2.gz BAZMENPJJNNCCQ-UHFFFAOYSA-N 1 0 241.294 1.470 10 0 BDAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000309550312 385687754 /nfs/dbraw/zinc/68/77/54/385687754.db2.gz FRRNECSWMOZEMG-SRVKXCTJSA-N 1 0 231.311 1.520 10 0 BDAERO C[C@@H]([NH3+])c1cccc(CN2CCOCC2)c1 ZINC000075845052 385691643 /nfs/dbraw/zinc/69/16/43/385691643.db2.gz AWJOEFPHBLIHQW-LLVKDONJSA-N 1 0 220.316 1.539 10 0 BDAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCO[C@@H]1C ZINC000307568137 385705417 /nfs/dbraw/zinc/70/54/17/385705417.db2.gz VLJANPAIVHNVSP-XFWSIPNHSA-N 1 0 201.335 1.647 10 0 BDAERO C[C@@H]([NH2+]Cc1cnns1)[C@H]1CCCO1 ZINC000336683668 385668782 /nfs/dbraw/zinc/66/87/82/385668782.db2.gz JGUUCTUBSXTYPN-VXNVDRBHSA-N 1 0 213.306 1.195 10 0 BDAERO [NH3+]Cc1occc1CN1CCSCC1 ZINC000052425568 385733599 /nfs/dbraw/zinc/73/35/99/385733599.db2.gz SWMUHEHFIZBGLK-UHFFFAOYSA-N 1 0 212.318 1.287 10 0 BDAERO [NH3+]Cc1ccc(CN2CCSCC2)o1 ZINC000052425560 385733722 /nfs/dbraw/zinc/73/37/22/385733722.db2.gz SEFUISHOVVJPGQ-UHFFFAOYSA-N 1 0 212.318 1.287 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)c(C)c1 ZINC000061119418 385736089 /nfs/dbraw/zinc/73/60/89/385736089.db2.gz YKEXGCOZLHIRAM-MRVPVSSYSA-N 1 0 210.252 1.681 10 0 BDAERO CC(=O)c1ccc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)nc1 ZINC000212862881 385743993 /nfs/dbraw/zinc/74/39/93/385743993.db2.gz KADCFFUCUSURTK-MFKMUULPSA-N 1 0 247.342 1.671 10 0 BDAERO CCSCC[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000309644628 385767590 /nfs/dbraw/zinc/76/75/90/385767590.db2.gz LWKWHQLHKBEWMI-LLVKDONJSA-N 1 0 239.388 1.849 10 0 BDAERO C[C@H]([NH2+]Cc1cncc(F)c1)[C@H]1CCCO1 ZINC000230938702 385768937 /nfs/dbraw/zinc/76/89/37/385768937.db2.gz SIEJUMBFWDFUGP-JOYOIKCWSA-N 1 0 224.279 1.878 10 0 BDAERO CC(C)c1nccc(N2CCC[C@H]([NH3+])C2)n1 ZINC000212411951 385721475 /nfs/dbraw/zinc/72/14/75/385721475.db2.gz FBDHHSBKPUZPFM-JTQLQIEISA-N 1 0 220.320 1.528 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000231643334 385808941 /nfs/dbraw/zinc/80/89/41/385808941.db2.gz KXQXIKGBDRYZIU-PSASIEDQSA-N 1 0 232.283 1.516 10 0 BDAERO C[C@H]1CC[C@H](NC(=O)C2C[NH2+]C2)c2ccccc21 ZINC000263337203 385832395 /nfs/dbraw/zinc/83/23/95/385832395.db2.gz WOXADFXFLDZACF-HZMBPMFUSA-N 1 0 244.338 1.961 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2cncc(Cl)n2)C1 ZINC000062983297 385840180 /nfs/dbraw/zinc/84/01/80/385840180.db2.gz XONLGDDVOANXMA-MRVPVSSYSA-N 1 0 226.711 1.270 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2cncc(Cl)n2)C1 ZINC000062983298 385840310 /nfs/dbraw/zinc/84/03/10/385840310.db2.gz XONLGDDVOANXMA-QMMMGPOBSA-N 1 0 226.711 1.270 10 0 BDAERO CN(C(=O)OC(C)(C)C)C(C)(C)C[NH2+]CCO ZINC000307318141 385851257 /nfs/dbraw/zinc/85/12/57/385851257.db2.gz PYWBMMFLHAINPI-UHFFFAOYSA-N 1 0 246.351 1.214 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000215984210 385855580 /nfs/dbraw/zinc/85/55/80/385855580.db2.gz LLIYMOXBVQPEIR-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1C ZINC000215985715 385856023 /nfs/dbraw/zinc/85/60/23/385856023.db2.gz VNDFJTYDGPQLKN-CHWSQXEVSA-N 1 0 233.311 1.861 10 0 BDAERO [NH3+][C@@]1(C2CC2)CCN(Cc2ccccc2)C1 ZINC000575558064 386000123 /nfs/dbraw/zinc/00/01/23/386000123.db2.gz BEPUHVWLJSLTAU-AWEZNQCLSA-N 1 0 216.328 2.000 10 0 BDAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCN(C)C)C1(C)C ZINC000336752094 386012601 /nfs/dbraw/zinc/01/26/01/386012601.db2.gz FUMAWWCNPJZQSH-GMTAPVOTSA-N 1 0 214.353 1.197 10 0 BDAERO C[C@@H](CNc1ccnc(Cl)n1)[NH+](C)C ZINC000051850288 386030758 /nfs/dbraw/zinc/03/07/58/386030758.db2.gz XDTLFVVVTICOST-ZETCQYMHSA-N 1 0 214.700 1.492 10 0 BDAERO CCC[C@@H](C(=O)N1CCCCO1)[NH+](C)C ZINC000189580222 386032490 /nfs/dbraw/zinc/03/24/90/386032490.db2.gz KXOFKMIJYVJCSD-JTQLQIEISA-N 1 0 214.309 1.271 10 0 BDAERO C[NH2+][C@@H](CO)c1ccc(Br)cc1F ZINC000038121371 386123444 /nfs/dbraw/zinc/12/34/44/386123444.db2.gz QXRODJWQVUAHPD-VIFPVBQESA-N 1 0 248.095 1.841 10 0 BDAERO Clc1cccnc1OC[C@@H]1CCC[NH2+]1 ZINC000051865950 386117095 /nfs/dbraw/zinc/11/70/95/386117095.db2.gz BDCPIVOPYXWGRB-QMMMGPOBSA-N 1 0 212.680 1.866 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1CC1(C)C ZINC000336771913 386069702 /nfs/dbraw/zinc/06/97/02/386069702.db2.gz XRBLSVCLWXTIMC-IVZWLZJFSA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189775610 386088754 /nfs/dbraw/zinc/08/87/54/386088754.db2.gz DIEKEXLDXHEODZ-MNOVXSKESA-N 1 0 239.363 1.521 10 0 BDAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)C(C)(C)C ZINC000336773023 386090610 /nfs/dbraw/zinc/09/06/10/386090610.db2.gz YKNDVZSRCBSECF-UWVGGRQHSA-N 1 0 212.337 1.631 10 0 BDAERO CC1(C)CS[C@@]2(CCC[NH2+]CC2)N1 ZINC000575575830 386183905 /nfs/dbraw/zinc/18/39/05/386183905.db2.gz NTHVOJRFQWMMQG-SNVBAGLBSA-N 1 0 200.351 1.571 10 0 BDAERO COCC1(C[NH2+]C[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000310434873 386185741 /nfs/dbraw/zinc/18/57/41/386185741.db2.gz RAQVQZMCAXARRL-STQMWFEESA-N 1 0 241.375 1.944 10 0 BDAERO c1ccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)cc1 ZINC000076679465 386130034 /nfs/dbraw/zinc/13/00/34/386130034.db2.gz NQOZBPSEWFZGRL-ZIAGYGMSSA-N 1 0 232.327 1.249 10 0 BDAERO CCSCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000336643191 386133712 /nfs/dbraw/zinc/13/37/12/386133712.db2.gz FUNAVXLGEULWIZ-SECBINFHSA-N 1 0 205.367 1.736 10 0 BDAERO CC(C)C[C@@H]([NH3+])CN1CCC([C@@H](C)O)CC1 ZINC000414702088 386208275 /nfs/dbraw/zinc/20/82/75/386208275.db2.gz WWLXLNZSXFCSDW-DGCLKSJQSA-N 1 0 228.380 1.453 10 0 BDAERO [NH3+]Cc1nnc2ccc(-c3cccs3)nn21 ZINC000058021826 386291405 /nfs/dbraw/zinc/29/14/05/386291405.db2.gz NKOMDKAGVGCAEN-UHFFFAOYSA-N 1 0 231.284 1.312 10 0 BDAERO CC[NH+](CC)[C@@H]1CCN(CC2(O)CCC2)C1 ZINC000336671297 386319702 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/nfs/dbraw/zinc/07/77/32/387077732.db2.gz NLIPTDQHDGAQHI-XBFCOCLRSA-N 1 0 246.354 1.684 10 0 BDAERO OCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000228489223 387087701 /nfs/dbraw/zinc/08/77/01/387087701.db2.gz HUIVTLDKFTXYDM-MJBXVCDLSA-N 1 0 241.375 1.774 10 0 BDAERO Cc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)[nH]n1 ZINC000186500222 387099115 /nfs/dbraw/zinc/09/91/15/387099115.db2.gz LVBMTXOHGADSMV-SNVBAGLBSA-N 1 0 248.330 1.075 10 0 BDAERO CCSCC[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000119158340 387104753 /nfs/dbraw/zinc/10/47/53/387104753.db2.gz LHJZBRZDALHTQF-GFCCVEGCSA-N 1 0 246.420 1.392 10 0 BDAERO Cc1cnccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000228690175 387106176 /nfs/dbraw/zinc/10/61/76/387106176.db2.gz SWHNZYOTUNBOAV-JQWIXIFHSA-N 1 0 233.315 1.134 10 0 BDAERO [NH3+][C@H]1CCCN(CC2SCCS2)C1 ZINC000575469991 387110097 /nfs/dbraw/zinc/11/00/97/387110097.db2.gz LOMALYCXGQNTLE-QMMMGPOBSA-N 1 0 218.391 1.216 10 0 BDAERO COc1cc([C@@H]([NH3+])CCF)cc2c1OCO2 ZINC000575437790 387110463 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/nfs/dbraw/zinc/20/39/89/387203989.db2.gz MBUMJGJCHSQYKR-SECBINFHSA-N 1 0 200.351 1.305 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2COC[C@H]2C)=[NH+]1 ZINC000575484954 387252792 /nfs/dbraw/zinc/25/27/92/387252792.db2.gz KLQFJAVFZCHBNG-BWZBUEFSSA-N 1 0 200.307 1.102 10 0 BDAERO C[C@H]1C[NH+]=C(NC2CC(F)(F)C2)S1 ZINC000575484591 387252905 /nfs/dbraw/zinc/25/29/05/387252905.db2.gz ZJPMBCXTWXZGIP-YFKPBYRVSA-N 1 0 206.261 1.865 10 0 BDAERO C[C@@H]1CCN1[C@]1(C[NH3+])CSC[C@H]1C ZINC000575592980 387222596 /nfs/dbraw/zinc/22/25/96/387222596.db2.gz ZLKKSUPHWCQMDX-OPRDCNLKSA-N 1 0 200.351 1.161 10 0 BDAERO CC[C@@H](C)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000120583414 387254139 /nfs/dbraw/zinc/25/41/39/387254139.db2.gz MTPFMVRNWPJHCC-OLZOCXBDSA-N 1 0 237.347 1.630 10 0 BDAERO C[C@@H]1C[NH+]=C(NCC2CSC2)S1 ZINC000575488753 387258680 /nfs/dbraw/zinc/25/86/80/387258680.db2.gz WULCDNSNKUKNKK-ZCFIWIBFSA-N 1 0 202.348 1.430 10 0 BDAERO C[C@@H]([NH2+]CC(N)=O)c1ccc2ccccc2c1 ZINC000022148764 387265917 /nfs/dbraw/zinc/26/59/17/387265917.db2.gz USVTUCXATZMPPW-SNVBAGLBSA-N 1 0 228.295 1.976 10 0 BDAERO CSCCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000121084196 387292702 /nfs/dbraw/zinc/29/27/02/387292702.db2.gz LRXHEXFGRAFLML-NSHDSACASA-N 1 0 244.404 1.682 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000392887500 387297222 /nfs/dbraw/zinc/29/72/22/387297222.db2.gz LSYOIQPSLBKPMH-ZYHUDNBSSA-N 1 0 240.347 1.060 10 0 BDAERO COc1ccccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392953781 387303332 /nfs/dbraw/zinc/30/33/32/387303332.db2.gz VLOWCSSLAMJMIA-CMPLNLGQSA-N 1 0 248.326 1.452 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1cc(Br)nn1C ZINC000575502592 387355152 /nfs/dbraw/zinc/35/51/52/387355152.db2.gz RPKXISXEJYCFMK-RNFRBKRXSA-N 1 0 244.136 1.506 10 0 BDAERO Cn1nc(Br)cc1/C=C/C[NH3+] ZINC000575502708 387356113 /nfs/dbraw/zinc/35/61/13/387356113.db2.gz VYZWXVPDBYNHMP-NSCUHMNNSA-N 1 0 216.082 1.155 10 0 BDAERO CC[NH2+]Cc1cn(CC(F)(F)F)nc1C ZINC000575602387 387370290 /nfs/dbraw/zinc/37/02/90/387370290.db2.gz NMHOOAZGGCAHEG-UHFFFAOYSA-N 1 0 221.226 1.863 10 0 BDAERO O[C@H](C1CCCC1)[C@@H]1CSCC[NH2+]1 ZINC000575505827 387372769 /nfs/dbraw/zinc/37/27/69/387372769.db2.gz UYAUQGAWYHRFML-VHSXEESVSA-N 1 0 201.335 1.243 10 0 BDAERO [NH3+]C1CC(Cn2cc(Br)cn2)C1 ZINC000575505171 387373440 /nfs/dbraw/zinc/37/34/40/387373440.db2.gz LMOALEJYNGQODB-UHFFFAOYSA-N 1 0 230.109 1.383 10 0 BDAERO CC[C@@H]1CS[C@@]2(CC[NH2+][C@H](C)C2)N1 ZINC000575511533 387382355 /nfs/dbraw/zinc/38/23/55/387382355.db2.gz FQUFPUKVWBSGLK-OPRDCNLKSA-N 1 0 200.351 1.570 10 0 BDAERO CC[C@H]([NH2+]Cc1cnn(C)c1C)C(C)(C)O ZINC000292958890 387331015 /nfs/dbraw/zinc/33/10/15/387331015.db2.gz JIHXVWURLTUEKC-NSHDSACASA-N 1 0 225.336 1.368 10 0 BDAERO CCN(CC)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000108644889 387346166 /nfs/dbraw/zinc/34/61/66/387346166.db2.gz ISMNBBBVTLLXIL-GFCCVEGCSA-N 1 0 239.363 1.618 10 0 BDAERO C1=CO[C@H](C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000188578046 134529074 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388505220 /nfs/dbraw/zinc/50/52/20/388505220.db2.gz WGFRJVPCQIFSAQ-YNEHKIRRSA-N 1 0 225.332 1.424 10 0 BDAERO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000346984181 388521512 /nfs/dbraw/zinc/52/15/12/388521512.db2.gz OHRMJIJTSSVIQP-RTXFEEFZSA-N 1 0 217.312 1.781 10 0 BDAERO CN(c1ccnc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000379142797 388590450 /nfs/dbraw/zinc/59/04/50/388590450.db2.gz BMYLHTRWWGAQQT-SNVBAGLBSA-N 1 0 228.299 1.428 10 0 BDAERO [NH3+]Cc1cnc(N2CCSCC2)s1 ZINC000054894772 388595574 /nfs/dbraw/zinc/59/55/74/388595574.db2.gz CAOOLEVJCGNTAS-UHFFFAOYSA-N 1 0 215.347 1.155 10 0 BDAERO C[C@@H](CCC1CC1)[NH2+]C[C@H](C)N1CCOCC1 ZINC000186226009 388598142 /nfs/dbraw/zinc/59/81/42/388598142.db2.gz ZCKYZEBHQURCJE-STQMWFEESA-N 1 0 240.391 1.875 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCc2nccn2C1)C1CC1 ZINC000364374069 388564144 /nfs/dbraw/zinc/56/41/44/388564144.db2.gz IYJXVTFYZMNGJV-MWLCHTKSSA-N 1 0 205.305 1.586 10 0 BDAERO CC[NH2+][C@H](C)CN=c1[n-]c([C@@H](C)OC)ns1 ZINC000387442142 388581694 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Cn1cc([C@@H]2CC[N@H+](CC[C@@H]3CCCO3)C2)cn1 ZINC000189338638 388632406 /nfs/dbraw/zinc/63/24/06/388632406.db2.gz HLANPUBVRCPGOI-OCCSQVGLSA-N 1 0 249.358 1.779 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2CC=CC2)C1 ZINC000247363647 388662916 /nfs/dbraw/zinc/66/29/16/388662916.db2.gz OSMVAXBKZHWIDI-WCQYABFASA-N 1 0 236.359 1.798 10 0 BDAERO COC[C@H](C)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000249948781 388735216 /nfs/dbraw/zinc/73/52/16/388735216.db2.gz UWWVKMGBNIGHOC-VXGBXAGGSA-N 1 0 237.347 1.492 10 0 BDAERO COC(=O)c1ccc(F)c2c1C[NH2+]CC2 ZINC000521398971 388704292 /nfs/dbraw/zinc/70/42/92/388704292.db2.gz GVOOQTXMCOWTGF-UHFFFAOYSA-N 1 0 209.220 1.258 10 0 BDAERO C[C@@H]1COC[C@H](C)[N@H+]1CC[C@H]1CCCO1 ZINC000249259353 388714679 /nfs/dbraw/zinc/71/46/79/388714679.db2.gz HTHHUQRPJXBIME-GRYCIOLGSA-N 1 0 213.321 1.665 10 0 BDAERO CSC[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000249491758 388723988 /nfs/dbraw/zinc/72/39/88/388723988.db2.gz YMERJRRXOQCNAD-DTWKUNHWSA-N 1 0 221.391 1.148 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2CC2(C)C)cnn1C ZINC000229810463 388801670 /nfs/dbraw/zinc/80/16/70/388801670.db2.gz HFGSGWCARZDSAP-NSHDSACASA-N 1 0 207.321 1.864 10 0 BDAERO C/C(=C\c1cc(Br)nn1C)[C@H](C)[NH3+] ZINC000575454149 388758181 /nfs/dbraw/zinc/75/81/81/388758181.db2.gz OSJHZKYWTCJGNE-KNIZRNDPSA-N 1 0 244.136 1.933 10 0 BDAERO C/C(=C\Br)C[C@H]1COCC[NH2+]1 ZINC000575454233 388758881 /nfs/dbraw/zinc/75/88/81/388758881.db2.gz PKCRJAFTWBHKMG-IVGLGHLBSA-N 1 0 220.110 1.664 10 0 BDAERO C[C@@H](O)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000228035335 388765943 /nfs/dbraw/zinc/76/59/43/388765943.db2.gz PROMFMZSZAXLHT-KXNHARMFSA-N 1 0 227.348 1.551 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000252714777 388775494 /nfs/dbraw/zinc/77/54/94/388775494.db2.gz SWYXFWANOYCVPG-QJPTWQEYSA-N 1 0 215.337 1.552 10 0 BDAERO Cc1oncc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000128639072 388777477 /nfs/dbraw/zinc/77/74/77/388777477.db2.gz ZZRPLUMRNZWJQG-NSHDSACASA-N 1 0 223.320 1.367 10 0 BDAERO O[C@H](c1cccs1)[C@@H]1C[NH2+]CCS1 ZINC000575462696 388827521 /nfs/dbraw/zinc/82/75/21/388827521.db2.gz PHEUZCYLAYBYOO-DTWKUNHWSA-N 1 0 215.343 1.487 10 0 BDAERO CC(C)[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000129390414 388838266 /nfs/dbraw/zinc/83/82/66/388838266.db2.gz IYNLMKMSBXGNTQ-OLZOCXBDSA-N 1 0 226.364 1.341 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCSC)C1 ZINC000194650665 388859659 /nfs/dbraw/zinc/85/96/59/388859659.db2.gz TULAFXKFNJPCPE-SNVBAGLBSA-N 1 0 230.377 1.340 10 0 BDAERO CCC[C@@H](CC)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233285555 388864475 /nfs/dbraw/zinc/86/44/75/388864475.db2.gz XLIPMYHXTNPCSS-GMTAPVOTSA-N 1 0 212.337 1.537 10 0 BDAERO Cc1c(CNC[C@H]2CCC[N@H+](C)C2)cnn1C ZINC000093650196 388845727 /nfs/dbraw/zinc/84/57/27/388845727.db2.gz LSJOTLMACFGLSW-GFCCVEGCSA-N 1 0 236.363 1.160 10 0 BDAERO [NH3+]C1(Cc2nccs2)CCSCC1 ZINC000575471616 388849352 /nfs/dbraw/zinc/84/93/52/388849352.db2.gz GUAZAQZAURVHDZ-UHFFFAOYSA-N 1 0 214.359 1.910 10 0 BDAERO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)OC(C)(C)C ZINC000575488275 388877861 /nfs/dbraw/zinc/87/78/61/388877861.db2.gz XHQWAUPWUGBDCT-LPEHRKFASA-N 1 0 228.336 1.992 10 0 BDAERO Cc1ncc([C@H]([NH3+])CC2OCCO2)s1 ZINC000575491538 388930013 /nfs/dbraw/zinc/93/00/13/388930013.db2.gz XOYNJMRGKIIXOO-SSDOTTSWSA-N 1 0 214.290 1.214 10 0 BDAERO CC12CC(C(=O)NCc3ccccc3)(C1)[NH2+]C2 ZINC000575494191 388953448 /nfs/dbraw/zinc/95/34/48/388953448.db2.gz WIDNTIOLXBVZCS-UHFFFAOYSA-N 1 0 230.311 1.445 10 0 BDAERO c1ccc2c(c1)C[C@H]2C[NH+]1CCOCC1 ZINC000266873987 388998698 /nfs/dbraw/zinc/99/86/98/388998698.db2.gz LNDLZPCBYMHMHN-LBPRGKRZSA-N 1 0 203.285 1.659 10 0 BDAERO c1ncn(CC[NH2+][C@H]2CCCc3ccccc32)n1 ZINC000268788512 389004339 /nfs/dbraw/zinc/00/43/39/389004339.db2.gz AXNNTDLEUZZYHB-AWEZNQCLSA-N 1 0 242.326 1.945 10 0 BDAERO C[C@@H]1C[C@]2(CC[NH2+]1)NC(C)(C)CS2 ZINC000575511823 389009997 /nfs/dbraw/zinc/00/99/97/389009997.db2.gz JQUUOTHALADLAD-PSASIEDQSA-N 1 0 200.351 1.570 10 0 BDAERO C1C[NH+]([C@@H]2CCCSCC2)CCN1 ZINC000575513342 389018212 /nfs/dbraw/zinc/01/82/12/389018212.db2.gz VAULFVBFIQLOTD-SNVBAGLBSA-N 1 0 200.351 1.177 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ncc(C)s2)c1 ZINC000271517933 389020790 /nfs/dbraw/zinc/02/07/90/389020790.db2.gz MSFUBHFCMKCNBR-UHFFFAOYSA-N 1 0 236.344 1.746 10 0 BDAERO Cc1nc(C(C)C)cc(N2CC[NH2+]CC2)n1 ZINC000045950760 132299404 /nfs/dbraw/zinc/29/94/04/132299404.db2.gz ZLZKRURUIWOYCF-UHFFFAOYSA-N 1 0 220.320 1.318 10 0 BDAERO C[C@H](C[NH+]1CCC(C)CC1)C(N)=S ZINC000036677555 168182987 /nfs/dbraw/zinc/18/29/87/168182987.db2.gz UYWMXBHKZZQAIT-SECBINFHSA-N 1 0 200.351 1.641 10 0 BDAERO Cc1ccc(N)c(N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC000036250690 132341409 /nfs/dbraw/zinc/34/14/09/132341409.db2.gz KBEDEZHDGTZIJE-NXEZZACHSA-N 1 0 221.304 1.586 10 0 BDAERO Cc1cc(C[NH3+])nc(N2CCCCC2)n1 ZINC000054830692 132365035 /nfs/dbraw/zinc/36/50/35/132365035.db2.gz LGJYUVCJIZNSDE-UHFFFAOYSA-N 1 0 206.293 1.234 10 0 BDAERO C(CN1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000220392851 533361018 /nfs/dbraw/zinc/36/10/18/533361018.db2.gz YDUFHWFZHHVAAL-CHWSQXEVSA-N 1 0 224.348 1.193 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)c1cccnc1 ZINC000084447268 322835452 /nfs/dbraw/zinc/83/54/52/322835452.db2.gz DHFVGWZBBVSKCX-BMQDGWLCSA-N 1 0 206.289 1.503 10 0 BDAERO Cc1nccnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000290446228 132217045 /nfs/dbraw/zinc/21/70/45/132217045.db2.gz CPKHWMJNNQNBIA-LBPRGKRZSA-N 1 0 232.331 1.460 10 0 BDAERO [NH3+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000011632338 132227336 /nfs/dbraw/zinc/22/73/36/132227336.db2.gz JAUUSDGWHWVEGZ-NSHDSACASA-N 1 0 226.707 1.504 10 0 BDAERO COc1ccnc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000070178494 132230498 /nfs/dbraw/zinc/23/04/98/132230498.db2.gz VJADRIXAEGDWHK-VHSXEESVSA-N 1 0 236.319 1.049 10 0 BDAERO Cc1cc(N2CCC(n3cncn3)CC2)cc[nH+]1 ZINC000302227548 132262310 /nfs/dbraw/zinc/26/23/10/132262310.db2.gz UUELMHNOLQGXEX-UHFFFAOYSA-N 1 0 243.314 1.823 10 0 BDAERO CCc1nc(C)c(C)c(N2CC[NH2+]CC2)n1 ZINC000045950792 132299081 /nfs/dbraw/zinc/29/90/81/132299081.db2.gz TZAYAIVMEGYQKK-UHFFFAOYSA-N 1 0 220.320 1.065 10 0 BDAERO NNc1[nH+]c(N2CCCCC2)nc2c1CCC2 ZINC000051152143 132300521 /nfs/dbraw/zinc/30/05/21/132300521.db2.gz YXUQGPOIWGXQFU-UHFFFAOYSA-N 1 0 233.319 1.241 10 0 BDAERO [NH3+]CC1CCN(c2cn[nH]c(=O)c2Cl)CC1 ZINC000073736194 132303545 /nfs/dbraw/zinc/30/35/45/132303545.db2.gz WVTOLLWGYRQMJK-UHFFFAOYSA-N 1 0 242.710 1.011 10 0 BDAERO c1cc2c(c(N3CC[NH2+]CC3)c1)OC=CO2 ZINC000013741463 132309824 /nfs/dbraw/zinc/30/98/24/132309824.db2.gz IJSAMIJTSZEIQR-UHFFFAOYSA-N 1 0 218.256 1.339 10 0 BDAERO Cc1ccc2c(c1)N(C)C[C@H](C1=[NH+]CCN1)O2 ZINC000004632561 132316596 /nfs/dbraw/zinc/31/65/96/132316596.db2.gz DLIWKOMNPINTFD-GFCCVEGCSA-N 1 0 231.299 1.194 10 0 BDAERO C[C@H]1CCc2ccccc2N1CC(N)=[NH2+] ZINC000019432911 132324982 /nfs/dbraw/zinc/32/49/82/132324982.db2.gz YULKPPFHJVOYLQ-VIFPVBQESA-N 1 0 203.289 1.764 10 0 BDAERO [NH3+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000019438912 132325198 /nfs/dbraw/zinc/32/51/98/132325198.db2.gz BIYQPMUEEHGLBQ-UHFFFAOYSA-N 1 0 212.243 1.892 10 0 BDAERO [NH3+]C[C@H]1CN(c2ccc(CF)cc2)CCO1 ZINC000021983248 132332457 /nfs/dbraw/zinc/33/24/57/132332457.db2.gz MGMSFAVUQWRUAQ-LBPRGKRZSA-N 1 0 224.279 1.320 10 0 BDAERO CCCCc1cccc(N2CC[NH2+]CC2)n1 ZINC000028244983 132333873 /nfs/dbraw/zinc/33/38/73/132333873.db2.gz VAXLKFNPIKKHGL-UHFFFAOYSA-N 1 0 219.332 1.834 10 0 BDAERO Clc1nccc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000027732208 132333917 /nfs/dbraw/zinc/33/39/17/132333917.db2.gz PNSLSBMUJBHQNO-OCAPTIKFSA-N 1 0 224.695 1.071 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000034823912 132336983 /nfs/dbraw/zinc/33/69/83/132336983.db2.gz PIRPTQAZMCMNTA-UHFFFAOYSA-N 1 0 247.342 1.075 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCC(O)CC1 ZINC000034824095 132337036 /nfs/dbraw/zinc/33/70/36/132337036.db2.gz LNNNMGKWKYCXPQ-UHFFFAOYSA-N 1 0 220.316 1.367 10 0 BDAERO C[C@@H](C[NH3+])CN1c2ccc(F)cc2CCC1=O ZINC000035355535 132338285 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CC(C)OCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000231452824 134542118 /nfs/dbraw/zinc/54/21/18/134542118.db2.gz GVFXWMQFCAWHGU-LLVKDONJSA-N 1 0 240.347 1.154 10 0 BDAERO CCCCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000231467884 134542175 /nfs/dbraw/zinc/54/21/75/134542175.db2.gz RDOYZJUIWFLJSX-LLVKDONJSA-N 1 0 212.337 1.777 10 0 BDAERO CC[C@H](C)CN(CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233996547 134571514 /nfs/dbraw/zinc/57/15/14/134571514.db2.gz OKMJPOSKRVVRSF-QJPTWQEYSA-N 1 0 226.364 1.737 10 0 BDAERO C[C@H](CC[NH3+])Nc1ncccc1Br ZINC000134275589 134706292 /nfs/dbraw/zinc/70/62/92/134706292.db2.gz FBWHKFGWQXTCAM-SSDOTTSWSA-N 1 0 244.136 1.993 10 0 BDAERO CC[C@H]([NH3+])CNc1ncc(Cl)cn1 ZINC000158697092 134745100 /nfs/dbraw/zinc/74/51/00/134745100.db2.gz KIJHXXKOFDXEJW-ZETCQYMHSA-N 1 0 200.673 1.279 10 0 BDAERO Cc1csc(C(=O)NC2C[NH2+]C2)c1Cl ZINC000235960019 134816638 /nfs/dbraw/zinc/81/66/38/134816638.db2.gz ADRDDVSBUSRCCU-UHFFFAOYSA-N 1 0 230.720 1.412 10 0 BDAERO [NH3+]CCNC(=O)c1coc2ccccc12 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228.336 1.058 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000250651742 135056940 /nfs/dbraw/zinc/05/69/40/135056940.db2.gz MKEXHKGANQHZKX-GRYCIOLGSA-N 1 0 213.321 1.306 10 0 BDAERO CCC[C@H](CC)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000251199760 135066461 /nfs/dbraw/zinc/06/64/61/135066461.db2.gz UZRGCFAIFQOGPM-HBNTYKKESA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000246182852 135082344 /nfs/dbraw/zinc/08/23/44/135082344.db2.gz HEZIIFSSIWQQOR-STQMWFEESA-N 1 0 228.380 1.685 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248649427 135088727 /nfs/dbraw/zinc/08/87/27/135088727.db2.gz KVURRFCCFRDWJF-JHJVBQTASA-N 1 0 245.363 1.321 10 0 BDAERO C[N@H+](CCN1CCCC1)[C@H]1CCCC[C@H]1O ZINC000252449082 135089856 /nfs/dbraw/zinc/08/98/56/135089856.db2.gz MDLHCBDMPCFJTJ-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO C[C@H]1C[N@H+](CCCCCO)C[C@H]1N(C)C ZINC000252493774 135090905 /nfs/dbraw/zinc/09/09/05/135090905.db2.gz XCORMSGBEGYOGU-NWDGAFQWSA-N 1 0 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ZINC000336723104 397927226 /nfs/dbraw/zinc/92/72/26/397927226.db2.gz DTWOSMPIQNWGKD-IJLUTSLNSA-N 1 0 224.348 1.776 10 0 BDAERO Cn1nc(C(F)(F)F)c2c1CC[C@H]([NH3+])C2 ZINC000020445771 397964800 /nfs/dbraw/zinc/96/48/00/397964800.db2.gz ODCAGFKLIAWDMV-YFKPBYRVSA-N 1 0 219.210 1.255 10 0 BDAERO Cc1nc(C)c(CNC(=O)C[C@H]([NH3+])C(C)C)o1 ZINC000382247675 397927580 /nfs/dbraw/zinc/92/75/80/397927580.db2.gz ZYKRHSTYKOXKDI-JTQLQIEISA-N 1 0 239.319 1.281 10 0 BDAERO O[C@H](c1cccs1)[C@H]1C[NH2+]CCS1 ZINC000575462699 397942861 /nfs/dbraw/zinc/94/28/61/397942861.db2.gz PHEUZCYLAYBYOO-RKDXNWHRSA-N 1 0 215.343 1.487 10 0 BDAERO c1ccc2c(c1)[nH]c1c2CCNC12COC2 ZINC000097758231 397952368 /nfs/dbraw/zinc/95/23/68/397952368.db2.gz QISDRNKOGBVAGV-UHFFFAOYSA-N 1 0 214.268 1.539 10 0 BDAERO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H]2CCCN2C)C1 ZINC000649566082 397955864 /nfs/dbraw/zinc/95/58/64/397955864.db2.gz ATARSIVNLAMDBT-AVGNSLFASA-N 1 0 226.364 1.173 10 0 BDAERO CC[N@@H+]1CC[C@H](NCc2cn(C(C)C)nn2)C1 ZINC000389521300 397960614 /nfs/dbraw/zinc/96/06/14/397960614.db2.gz GXXAJFRFNNNIBA-NSHDSACASA-N 1 0 237.351 1.043 10 0 BDAERO F[C@@]1(Cc2ccns2)CCC[NH2+]C1 ZINC000575489421 397963591 /nfs/dbraw/zinc/96/35/91/397963591.db2.gz DFKRAUVNWKTFIK-SECBINFHSA-N 1 0 200.282 1.777 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cncs1 ZINC000307209740 397990486 /nfs/dbraw/zinc/99/04/86/397990486.db2.gz LJDSLXWEUBMIIJ-DTWKUNHWSA-N 1 0 212.318 1.488 10 0 BDAERO C[C@@H]1C[C@@H](N)C[N@@H+]1[C@H]1CCS[C@H]1C ZINC000575592406 397991035 /nfs/dbraw/zinc/99/10/35/397991035.db2.gz RLPISWKGEPOMSZ-RGOKHQFPSA-N 1 0 200.351 1.302 10 0 BDAERO [NH3+]CCSc1ccc2c(c1)OCCCO2 ZINC000039286972 398044775 /nfs/dbraw/zinc/04/47/75/398044775.db2.gz FHUUVIYHCJFWGK-UHFFFAOYSA-N 1 0 225.313 1.899 10 0 BDAERO C[C@@H]([NH2+]CC1(CO)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000564826526 398045578 /nfs/dbraw/zinc/04/55/78/398045578.db2.gz RVFPVBRUODNSJV-OLZOCXBDSA-N 1 0 240.391 1.517 10 0 BDAERO OCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000383662832 398032757 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173364883 /nfs/dbraw/zinc/36/48/83/173364883.db2.gz NFQGVYGVZIYPDA-SECBINFHSA-N 1 0 210.346 1.714 10 0 BDAERO CC(C)NC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145234 167084334 /nfs/dbraw/zinc/08/43/34/167084334.db2.gz CHXBBJMHQCEUHM-QWRGUYRKSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)[NH2+]CCN(C)Cc1cccnc1 ZINC000037477315 167104027 /nfs/dbraw/zinc/10/40/27/167104027.db2.gz DYBHQMWPLHQQCW-UHFFFAOYSA-N 1 0 207.321 1.511 10 0 BDAERO CC(C)[NH2+]C[C@H](O)COC(=O)c1ccccc1 ZINC000025971575 167115449 /nfs/dbraw/zinc/11/54/49/167115449.db2.gz WKLFEQMFZSMKEL-LBPRGKRZSA-N 1 0 237.299 1.202 10 0 BDAERO COc1ccc(C)cc1CNC[C@H]1CC[NH2+]C1 ZINC000258838473 322878414 /nfs/dbraw/zinc/87/84/14/322878414.db2.gz GUZWXWCSNIWSMV-LBPRGKRZSA-N 1 0 234.343 1.703 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1ncnc2c1CCCC2 ZINC000094872464 487561112 /nfs/dbraw/zinc/56/11/12/487561112.db2.gz LHUVPEVQCHMAML-JTQLQIEISA-N 1 0 232.331 1.154 10 0 BDAERO C[C@@H](CCCO)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000096033788 175667747 /nfs/dbraw/zinc/66/77/47/175667747.db2.gz UGFUXNYLRNKJRV-HBNTYKKESA-N 1 0 215.337 1.693 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ncnc2c1CCCC2 ZINC000094872576 487562238 /nfs/dbraw/zinc/56/22/38/487562238.db2.gz ZPGOJILEVJBDGO-PWSUYJOCSA-N 1 0 246.358 1.895 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1ncnc2c1CCCC2 ZINC000094872541 487562125 /nfs/dbraw/zinc/56/21/25/487562125.db2.gz OQFVVAMRSBEHKA-LLVKDONJSA-N 1 0 234.347 1.751 10 0 BDAERO CC(C)OC(=O)N[C@H](C[NH3+])Cc1ccccc1 ZINC000104320644 167165937 /nfs/dbraw/zinc/16/59/37/167165937.db2.gz XEVYHBGJTFRKHU-LBPRGKRZSA-N 1 0 236.315 1.691 10 0 BDAERO O[C@H]1CCC[C@H](C[N@@H+]2CCCOCC2)C1 ZINC000308886028 487571884 /nfs/dbraw/zinc/57/18/84/487571884.db2.gz GCRAOWBXACTZCS-RYUDHWBXSA-N 1 0 213.321 1.260 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1=O ZINC000393476529 487575771 /nfs/dbraw/zinc/57/57/71/487575771.db2.gz PCFNSFHBHGQYRQ-QCNOEVLYSA-N 1 0 222.332 1.385 10 0 BDAERO CC(C)OCCCn1cnnc1[C@@H]1CCC[NH2+]1 ZINC000098126477 167227573 /nfs/dbraw/zinc/22/75/73/167227573.db2.gz YOCDXXBVAOEOMC-NSHDSACASA-N 1 0 238.335 1.518 10 0 BDAERO CC(C)OCCN1CC[NH2+]CC[C@H]1C ZINC000062568763 167233751 /nfs/dbraw/zinc/23/37/51/167233751.db2.gz VXNADVNRGKLKFV-LLVKDONJSA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000336651499 167269757 /nfs/dbraw/zinc/26/97/57/167269757.db2.gz VIIZLLNOHKPFKW-UTUOFQBUSA-N 1 0 213.321 1.257 10 0 BDAERO CC(C)([NH3+])c1cn(Cc2cncc(F)c2)nn1 ZINC000232521921 487601895 /nfs/dbraw/zinc/60/18/95/487601895.db2.gz SCSRSLLEPYJPFI-UHFFFAOYSA-N 1 0 235.266 1.054 10 0 BDAERO CC(C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000076981375 167318586 /nfs/dbraw/zinc/31/85/86/167318586.db2.gz TVCWWNIMFVLKRS-UHFFFAOYSA-N 1 0 227.329 1.469 10 0 BDAERO c1ccc2sc(NC[C@H]3COCC[NH2+]3)nc2c1 ZINC000232556274 487606839 /nfs/dbraw/zinc/60/68/39/487606839.db2.gz YZLLJNVXUCUFAY-VIFPVBQESA-N 1 0 249.339 1.697 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662370904 409680076 /nfs/dbraw/zinc/68/00/76/409680076.db2.gz FQXMCVNLGJNGQU-GHMZBOCLSA-N 1 0 237.290 1.503 10 0 BDAERO C[C@@H]1OCC[C@@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662512544 409741512 /nfs/dbraw/zinc/74/15/12/409741512.db2.gz SAZXVAYGMIAOEY-ZANVPECISA-N 1 0 246.310 1.197 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C[C@H]1[NH3+] ZINC000662572254 409765177 /nfs/dbraw/zinc/76/51/77/409765177.db2.gz MWVCAFCYPAFDNX-PZWNZHSQSA-N 1 0 222.332 1.228 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662667342 409826601 /nfs/dbraw/zinc/82/66/01/409826601.db2.gz XPXWSZUBOFKWHB-LLVKDONJSA-N 1 0 212.337 1.810 10 0 BDAERO CC[C@H](C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000662626947 409799054 /nfs/dbraw/zinc/79/90/54/409799054.db2.gz NVMVNIJYQXUPFC-QWRGUYRKSA-N 1 0 214.353 1.912 10 0 BDAERO C[N@@H+](Cc1ccco1)C[C@@H](O)COC(C)(C)C ZINC000046343014 409940558 /nfs/dbraw/zinc/94/05/58/409940558.db2.gz CKMXSCKPGFUFEK-LLVKDONJSA-N 1 0 241.331 1.887 10 0 BDAERO O[C@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000660902945 409948409 /nfs/dbraw/zinc/94/84/09/409948409.db2.gz TWIJQRLUKZRLSE-CRWXNKLISA-N 1 0 239.359 1.648 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000663278779 410092744 /nfs/dbraw/zinc/09/27/44/410092744.db2.gz LRTUFGCHAIMEDQ-VIFPVBQESA-N 1 0 242.344 1.110 10 0 BDAERO Brc1ccc([C@H]2CC[NH2+]C2)[nH]1 ZINC000082370616 166099145 /nfs/dbraw/zinc/09/91/45/166099145.db2.gz BTIXAPIPJXFAKM-LURJTMIESA-N 1 0 215.094 1.854 10 0 BDAERO CC1CC(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000653194906 410159790 /nfs/dbraw/zinc/15/97/90/410159790.db2.gz BDZYLBBNQQAZQO-BUCSNLDVSA-N 1 0 236.359 1.620 10 0 BDAERO Brc1cnc(C2CC[NH2+]CC2)cn1 ZINC000044122209 166104602 /nfs/dbraw/zinc/10/46/02/166104602.db2.gz RALIAUPXCZAYBR-UHFFFAOYSA-N 1 0 242.120 1.706 10 0 BDAERO COC[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000655441269 410264481 /nfs/dbraw/zinc/26/44/81/410264481.db2.gz GKNWDGNFCSLXIU-VXGBXAGGSA-N 1 0 240.347 1.014 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(F)cn1 ZINC000129109088 410368414 /nfs/dbraw/zinc/36/84/14/410368414.db2.gz DPMOVRXVLZDYRH-VIFPVBQESA-N 1 0 225.267 1.533 10 0 BDAERO CCN(CC)C(=O)C[C@H](C[NH3+])c1cccnc1 ZINC000076618210 169750896 /nfs/dbraw/zinc/75/08/96/169750896.db2.gz DFWHQLVJVCYKGX-GFCCVEGCSA-N 1 0 235.331 1.382 10 0 BDAERO CCN(CC)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000304285474 169752639 /nfs/dbraw/zinc/75/26/39/169752639.db2.gz MWFBFHLCTGARHT-JTQLQIEISA-N 1 0 227.352 1.507 10 0 BDAERO C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000150329020 487618083 /nfs/dbraw/zinc/61/80/83/487618083.db2.gz KEMRUQKRBLANTF-JOYOIKCWSA-N 1 0 249.314 1.444 10 0 BDAERO CC(C)(C)[NH2+]C[C@H](O)COc1ccsc1 ZINC000033872993 166633429 /nfs/dbraw/zinc/63/34/29/166633429.db2.gz SFHBYDONMWGREJ-VIFPVBQESA-N 1 0 229.345 1.876 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]2CCC[NH2+][C@H]2C1 ZINC000082327503 166651719 /nfs/dbraw/zinc/65/17/19/166651719.db2.gz ZWEWOQJWNGDMHO-QWRGUYRKSA-N 1 0 240.347 1.995 10 0 BDAERO CC(C)(C)OC(=O)NCc1ccccc1C(N)=[NH2+] ZINC000096896711 166664157 /nfs/dbraw/zinc/66/41/57/166664157.db2.gz JPAQRHRGYZQORQ-UHFFFAOYSA-N 1 0 249.314 1.995 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@H](Nc2cc[nH]n2)CC1 ZINC000616687415 410734045 /nfs/dbraw/zinc/73/40/45/410734045.db2.gz XZAGBTSRVPMHDO-NSHDSACASA-N 1 0 238.335 1.669 10 0 BDAERO CC(C)CC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358319 166762873 /nfs/dbraw/zinc/76/28/73/166762873.db2.gz LATHAKXQZHGHJG-RYUDHWBXSA-N 1 0 224.348 1.776 10 0 BDAERO CN(C)[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000393760902 410761054 /nfs/dbraw/zinc/76/10/54/410761054.db2.gz LFGRZDOWQFHHON-UPJWGTAASA-N 1 0 226.364 1.173 10 0 BDAERO CC[C@@H](C)[C@@H](C[NH2+]CCn1cc(C)cn1)OC ZINC000394453490 410797838 /nfs/dbraw/zinc/79/78/38/410797838.db2.gz QEYUMTJIQQKUAI-CHWSQXEVSA-N 1 0 239.363 1.842 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@H](CO)C1CCCC1 ZINC000395336295 410847357 /nfs/dbraw/zinc/84/73/57/410847357.db2.gz VEIUAKTZRSQCRF-QWHCGFSZSA-N 1 0 226.364 1.221 10 0 BDAERO CC[NH+](CC)CCC[C@H](C)N1C(=O)C=CC1=O ZINC000019972229 169776530 /nfs/dbraw/zinc/77/65/30/169776530.db2.gz PLKROIISWDYGFP-NSHDSACASA-N 1 0 238.331 1.422 10 0 BDAERO COc1cc(NCCC2(C[NH3+])CC2)ncn1 ZINC000395921855 410869528 /nfs/dbraw/zinc/86/95/28/410869528.db2.gz YCTOPJYFKIQEIX-UHFFFAOYSA-N 1 0 222.292 1.026 10 0 BDAERO CC[NH+](CC)CCN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000119748750 169777866 /nfs/dbraw/zinc/77/78/66/169777866.db2.gz ZOERILAFYYBJQE-KGLIPLIRSA-N 1 0 240.391 1.829 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000040630641 410884010 /nfs/dbraw/zinc/88/40/10/410884010.db2.gz ZSCKQHNRFOIGPE-CHWSQXEVSA-N 1 0 248.326 1.619 10 0 BDAERO CC(C)CNC(=O)C[C@@H](C[NH3+])c1ccncc1 ZINC000076618136 166985423 /nfs/dbraw/zinc/98/54/23/166985423.db2.gz QVVSBZNWOXYLIJ-LBPRGKRZSA-N 1 0 235.331 1.286 10 0 BDAERO CC(C)CNC(=O)[C@@H](CC[NH3+])c1cccnc1 ZINC000076618022 166994025 /nfs/dbraw/zinc/99/40/25/166994025.db2.gz XJFFYUJZFDHNBI-LBPRGKRZSA-N 1 0 235.331 1.286 10 0 BDAERO CC(C)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860298 167034999 /nfs/dbraw/zinc/03/49/99/167034999.db2.gz XBCGRLQOHFIJFO-ZDUSSCGKSA-N 1 0 204.317 1.780 10 0 BDAERO CC(C)NC(=O)CC[NH2+]CCc1ccncc1 ZINC000054048162 167044869 /nfs/dbraw/zinc/04/48/69/167044869.db2.gz WPSRUQSCAVLQTF-UHFFFAOYSA-N 1 0 235.331 1.128 10 0 BDAERO CC(C)NC(=O)CC[C@H](C[NH3+])c1ccccn1 ZINC000076618264 167046480 /nfs/dbraw/zinc/04/64/80/167046480.db2.gz XCOLKDUGFZXCJF-LLVKDONJSA-N 1 0 235.331 1.429 10 0 BDAERO CC(C)NC(=O)CC[C@@H](C[NH3+])c1ccco1 ZINC000076611810 167046990 /nfs/dbraw/zinc/04/69/90/167046990.db2.gz VGNVFMBGPVWSRX-JTQLQIEISA-N 1 0 224.304 1.627 10 0 BDAERO CC(C)NC(=O)N(C)CCC1CC[NH2+]CC1 ZINC000048259929 167068233 /nfs/dbraw/zinc/06/82/33/167068233.db2.gz QFRUMFNENJMCEB-UHFFFAOYSA-N 1 0 227.352 1.426 10 0 BDAERO CC(C)NC(=O)NCc1cccc(C[NH3+])c1 ZINC000036202405 167074953 /nfs/dbraw/zinc/07/49/53/167074953.db2.gz LQAVLDKDAAHWET-UHFFFAOYSA-N 1 0 221.304 1.353 10 0 BDAERO CC(C)NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019437626 167084249 /nfs/dbraw/zinc/08/42/49/167084249.db2.gz FYNPHFKEMREMRU-OUAUKWLOSA-N 1 0 210.321 1.432 10 0 BDAERO CC(C)[NH2+]CC(=O)N(Cc1cccnc1)C(C)C ZINC000037822213 167095832 /nfs/dbraw/zinc/09/58/32/167095832.db2.gz BLEULRFPRVQWPI-UHFFFAOYSA-N 1 0 249.358 1.817 10 0 BDAERO CC(C)[NH2+]CC(=O)c1ccc2c(c1)OCCO2 ZINC000041612665 167097591 /nfs/dbraw/zinc/09/75/91/167097591.db2.gz NJIBZJAAWITGIA-UHFFFAOYSA-N 1 0 235.283 1.639 10 0 BDAERO CC(C)[NH2+]CCCn1nnc(-c2ccco2)n1 ZINC000053539227 167101642 /nfs/dbraw/zinc/10/16/42/167101642.db2.gz HHCSTCOYEBHNPO-UHFFFAOYSA-N 1 0 235.291 1.321 10 0 BDAERO CC(C)[NH2+]CCCOc1ncnc2[nH]cnc21 ZINC000051872068 167102042 /nfs/dbraw/zinc/10/20/42/167102042.db2.gz ZUHLAFZITFGVCJ-UHFFFAOYSA-N 1 0 235.291 1.120 10 0 BDAERO CC(C)[NH2+]CCN1C(=O)CC(C)(C)CC1=O ZINC000061824983 167104551 /nfs/dbraw/zinc/10/45/51/167104551.db2.gz HRDYNNRBTFVQJB-UHFFFAOYSA-N 1 0 226.320 1.160 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C)C(=O)[O-])C1 ZINC000063139434 167111453 /nfs/dbraw/zinc/11/14/53/167111453.db2.gz VDPLSKBLDGHJHK-NEPJUHHUSA-N 1 0 242.363 1.417 10 0 BDAERO CC(C)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000019431671 167118715 /nfs/dbraw/zinc/11/87/15/167118715.db2.gz LWYDVHINOBXEBH-UHFFFAOYSA-N 1 0 210.252 1.423 10 0 BDAERO CC(C)[NH2+]Cc1cnn(-c2ncccn2)c1 ZINC000040932548 167121124 /nfs/dbraw/zinc/12/11/24/167121124.db2.gz CDCWQLCEWYTPKQ-UHFFFAOYSA-N 1 0 217.276 1.160 10 0 BDAERO CC(C)[NH2+]Cc1nnnn1C1CCCCC1 ZINC000054745806 167122660 /nfs/dbraw/zinc/12/26/60/167122660.db2.gz IZGGCUFORKKVQO-UHFFFAOYSA-N 1 0 223.324 1.676 10 0 BDAERO CC(C)[NH2+][C@H]1CCO[C@@H]1c1ccnn1C ZINC000284557707 167140262 /nfs/dbraw/zinc/14/02/62/167140262.db2.gz HUGQMINEOJTQNH-ONGXEEELSA-N 1 0 209.293 1.248 10 0 BDAERO CC(C)Nc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040708278 167151283 /nfs/dbraw/zinc/15/12/83/167151283.db2.gz RTIGBMKJWXMOGM-UHFFFAOYSA-N 1 0 238.339 1.594 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000061884478 167162971 /nfs/dbraw/zinc/16/29/71/167162971.db2.gz CGFZFMWNPPNIET-DTWKUNHWSA-N 1 0 200.282 1.248 10 0 BDAERO CC(C)OC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000052899130 167163300 /nfs/dbraw/zinc/16/33/00/167163300.db2.gz YRXKWRLQUYXVKD-UHFFFAOYSA-N 1 0 236.315 1.822 10 0 BDAERO CC(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1[NH3+] ZINC000104324290 167165679 /nfs/dbraw/zinc/16/56/79/167165679.db2.gz JMUXOOIUZGCXKL-RYUDHWBXSA-N 1 0 234.299 1.746 10 0 BDAERO CC(C)OCCN1C[C@@H]([NH3+])CC[C@@H]1C ZINC000049261224 167234184 /nfs/dbraw/zinc/23/41/84/167234184.db2.gz ANWZFXGZJJLOPG-QWRGUYRKSA-N 1 0 200.326 1.223 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000336748718 167258935 /nfs/dbraw/zinc/25/89/35/167258935.db2.gz DOUKDOZWKMMZJP-IJLUTSLNSA-N 1 0 215.337 1.957 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000236655115 167354336 /nfs/dbraw/zinc/35/43/36/167354336.db2.gz PNGVHDHNGRNKGU-NSHDSACASA-N 1 0 226.364 1.879 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000037149232 167386263 /nfs/dbraw/zinc/38/62/63/167386263.db2.gz FDPCHMWWDAQNAX-NXEZZACHSA-N 1 0 222.336 1.919 10 0 BDAERO CC(C)[C@@H](CC[NH3+])C(=O)NCc1cccnc1 ZINC000076618076 167390475 /nfs/dbraw/zinc/39/04/75/167390475.db2.gz FBEFIBXKUDBKET-GFCCVEGCSA-N 1 0 235.331 1.319 10 0 BDAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@@H](O)c1ccco1 ZINC000103324965 167394914 /nfs/dbraw/zinc/39/49/14/167394914.db2.gz WRBNTLCDUITSMA-VXGBXAGGSA-N 1 0 240.347 1.489 10 0 BDAERO CC(C)[C@@H](C[NH3+])N1C(=O)c2ccccc2C1=O ZINC000083358770 167397594 /nfs/dbraw/zinc/39/75/94/167397594.db2.gz KRFIRZHCWCQGNI-LLVKDONJSA-N 1 0 232.283 1.266 10 0 BDAERO CC(C)SCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000591583206 411128706 /nfs/dbraw/zinc/12/87/06/411128706.db2.gz OOIPCFCRFMYFRA-DTWKUNHWSA-N 1 0 216.350 1.076 10 0 BDAERO CCC(CC)(C[NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000044764383 411140318 /nfs/dbraw/zinc/14/03/18/411140318.db2.gz FBMPMGKLDPMQFF-NSHDSACASA-N 1 0 242.363 1.437 10 0 BDAERO CC(C)c1nc(Cl)cc(N2CC[C@@H]([NH3+])C2)n1 ZINC000073737510 167668160 /nfs/dbraw/zinc/66/81/60/167668160.db2.gz SYGDOZRGCVIXDK-MRVPVSSYSA-N 1 0 240.738 1.791 10 0 BDAERO COc1cccnc1N(C)CC[C@@H]([NH3+])C(C)C ZINC000128509319 411101673 /nfs/dbraw/zinc/10/16/73/411101673.db2.gz AJXOIDBFPKCDLL-LLVKDONJSA-N 1 0 237.347 1.900 10 0 BDAERO CC(C)n1cc(NC(=O)[C@@H]2CC[NH2+]C2)cn1 ZINC000062116984 167755311 /nfs/dbraw/zinc/75/53/11/167755311.db2.gz QICJZSSZYWLLHS-SECBINFHSA-N 1 0 222.292 1.012 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C1CC1 ZINC000128928629 411190389 /nfs/dbraw/zinc/19/03/89/411190389.db2.gz LHBLDHKTTUGIDV-KOLCDFICSA-N 1 0 212.337 1.617 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@H]1CCCO1 ZINC000128971993 411192799 /nfs/dbraw/zinc/19/27/99/411192799.db2.gz ZMNBNMPGXGCFMX-GHMZBOCLSA-N 1 0 228.336 1.045 10 0 BDAERO Cc1ncc(CNC(=O)C[C@H]([NH3+])C(C)C)s1 ZINC000128995608 411195480 /nfs/dbraw/zinc/19/54/80/411195480.db2.gz FKQKZQJNSWUVTC-JTQLQIEISA-N 1 0 241.360 1.441 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)C ZINC000128983765 411195825 /nfs/dbraw/zinc/19/58/25/411195825.db2.gz ZKXULFWBSPTLJX-VIFPVBQESA-N 1 0 200.326 1.522 10 0 BDAERO CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C(C)C ZINC000129006018 411198278 /nfs/dbraw/zinc/19/82/78/411198278.db2.gz ZOWHCOXIGBRTDE-WDEREUQCSA-N 1 0 214.353 1.911 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1O ZINC000310076006 411201998 /nfs/dbraw/zinc/20/19/98/411201998.db2.gz GLGWKMDXDMJZGC-MWLCHTKSSA-N 1 0 234.299 1.262 10 0 BDAERO Cc1nnsc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000309735568 411219290 /nfs/dbraw/zinc/21/92/90/411219290.db2.gz GKYSAIMDNNHLJS-UWVGGRQHSA-N 1 0 241.360 1.487 10 0 BDAERO Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000309735570 411219364 /nfs/dbraw/zinc/21/93/64/411219364.db2.gz GKYSAIMDNNHLJS-VHSXEESVSA-N 1 0 241.360 1.487 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCNC1=O)[C@H]1CC1(C)C ZINC000658052846 411219675 /nfs/dbraw/zinc/21/96/75/411219675.db2.gz POHKJMXENOCZLG-KXUCPTDWSA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000658052916 411220222 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ZINC000658245284 411310634 /nfs/dbraw/zinc/31/06/34/411310634.db2.gz WSJHLNQIUQQTCO-GHMZBOCLSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC000661851550 411319416 /nfs/dbraw/zinc/31/94/16/411319416.db2.gz WMVAOFQLMYBBNB-WRWGMCAJSA-N 1 0 213.321 1.399 10 0 BDAERO CC(C)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128861168 411255323 /nfs/dbraw/zinc/25/53/23/411255323.db2.gz LVLXHUPUKDVRKD-SNVBAGLBSA-N 1 0 200.326 1.522 10 0 BDAERO Cc1cnc(NC(=O)C[C@H]([NH3+])C(C)C)s1 ZINC000128865999 411260395 /nfs/dbraw/zinc/26/03/95/411260395.db2.gz ONXKRWUMIWTTGO-QMMMGPOBSA-N 1 0 227.333 1.763 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)C12CCC2 ZINC000658355948 411353440 /nfs/dbraw/zinc/35/34/40/411353440.db2.gz KWBYPKPZHLHAEI-TUUUFIMRSA-N 1 0 239.359 1.695 10 0 BDAERO CCC[C@@H](CCO)C[NH2+]C[C@H](O)C(C)(C)C ZINC000304246999 411355636 /nfs/dbraw/zinc/35/56/36/411355636.db2.gz PQXQBORACRZAGU-RYUDHWBXSA-N 1 0 231.380 1.782 10 0 BDAERO Cc1cccc(N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000069727427 411360290 /nfs/dbraw/zinc/36/02/90/411360290.db2.gz GJVSWMYSRXNVLH-PWSUYJOCSA-N 1 0 219.332 1.954 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)C(C1CC1)C1CC1 ZINC000304449402 411365627 /nfs/dbraw/zinc/36/56/27/411365627.db2.gz JSCYRGOLODMAGZ-SECBINFHSA-N 1 0 222.332 1.148 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@]1(C)CO ZINC000662144736 411366683 /nfs/dbraw/zinc/36/66/83/411366683.db2.gz UOFLVKHOZLWUAO-AAVRWANBSA-N 1 0 241.375 1.488 10 0 BDAERO OC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCOCC1 ZINC000304574276 411371980 /nfs/dbraw/zinc/37/19/80/411371980.db2.gz NBPGVIAXKXCQBJ-QJPTWQEYSA-N 1 0 225.332 1.306 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CCc1ccoc1 ZINC000656713625 411338528 /nfs/dbraw/zinc/33/85/28/411338528.db2.gz ICIDRBUNHBSILT-ZDUSSCGKSA-N 1 0 241.331 1.589 10 0 BDAERO [NH3+]C1CCC(C(=O)NCc2ccsc2)CC1 ZINC000063154723 411343528 /nfs/dbraw/zinc/34/35/28/411343528.db2.gz QDCKIFVDNSQICE-UHFFFAOYSA-N 1 0 238.356 1.882 10 0 BDAERO 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O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000659304002 411391134 /nfs/dbraw/zinc/39/11/34/411391134.db2.gz KXDJOYXLYQQNTD-WRWGMCAJSA-N 1 0 222.332 1.148 10 0 BDAERO CC(C)[C@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659267778 411385699 /nfs/dbraw/zinc/38/56/99/411385699.db2.gz QMRGVNQKQIWISZ-JTQLQIEISA-N 1 0 224.348 1.809 10 0 BDAERO CCC(C)(C)NC(=O)CN(CCC[NH3+])C(C)C ZINC000049281633 168290102 /nfs/dbraw/zinc/29/01/02/168290102.db2.gz IDXWYZRGVZZNSC-UHFFFAOYSA-N 1 0 243.395 1.350 10 0 BDAERO CCC(C)(C)[NH2+]CCN(C)Cc1nccn1C ZINC000062327403 168298018 /nfs/dbraw/zinc/29/80/18/168298018.db2.gz FGGHITWBKFYHBE-UHFFFAOYSA-N 1 0 238.379 1.630 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659951820 411394394 /nfs/dbraw/zinc/39/43/94/411394394.db2.gz FEAPVWBDENMSJN-FVCCEPFGSA-N 1 0 209.333 1.737 10 0 BDAERO CC(C)(C[N@H+]1C[C@H](CO)[C@H](O)C1)c1ccccc1 ZINC000657060436 411398624 /nfs/dbraw/zinc/39/86/24/411398624.db2.gz RVDQBZMJUKLFTN-TZMCWYRMSA-N 1 0 249.354 1.249 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC1C[C@H](C)C[C@@H](C)C1 ZINC000659343159 411399910 /nfs/dbraw/zinc/39/99/10/411399910.db2.gz MNOCCGUAWIGQFE-GMTAPVOTSA-N 1 0 226.364 1.783 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NCCCC2CCC2)C1 ZINC000659362813 411404064 /nfs/dbraw/zinc/40/40/64/411404064.db2.gz XJTPAMKVZGGHBU-RYUDHWBXSA-N 1 0 224.348 1.810 10 0 BDAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccccc1C(N)=O ZINC000616637722 411407331 /nfs/dbraw/zinc/40/73/31/411407331.db2.gz QQYYFZKFZGULEL-CYBMUJFWSA-N 1 0 247.342 1.140 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000659380169 411407439 /nfs/dbraw/zinc/40/74/39/411407439.db2.gz YPKNIRNPKAOQBD-MFKMUULPSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)CC1(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000659382735 411407468 /nfs/dbraw/zinc/40/74/68/411407468.db2.gz OICJSIPFCKFFRQ-WDEREUQCSA-N 1 0 224.348 1.809 10 0 BDAERO CCO[C@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186532611 411410223 /nfs/dbraw/zinc/41/02/23/411410223.db2.gz CQWDVBSCVROUJG-GHMZBOCLSA-N 1 0 240.347 1.154 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1cccnc1N ZINC000616648938 411411840 /nfs/dbraw/zinc/41/18/40/411411840.db2.gz HOWOEGOYNNDAKA-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)CC[NH2+]C(C)C ZINC000121649171 411414831 /nfs/dbraw/zinc/41/48/31/411414831.db2.gz RKKJRGYCHXPSRM-WDEREUQCSA-N 1 0 212.337 1.679 10 0 BDAERO CC[C@H]1CN(c2cc(C)ncn2)CC[C@@H]1[NH3+] ZINC000122951348 411436574 /nfs/dbraw/zinc/43/65/74/411436574.db2.gz RKTUSLJEHNPDHE-QWRGUYRKSA-N 1 0 220.320 1.349 10 0 BDAERO CC(C)(CC[N@@H+]1CCO[C@@H](CO)C1)C1CC1 ZINC000406039011 411449204 /nfs/dbraw/zinc/44/92/04/411449204.db2.gz OYJYRVDDMFNWSJ-GFCCVEGCSA-N 1 0 227.348 1.506 10 0 BDAERO CC[C@H](O)C[NH2+][C@H](C)COCc1ccccc1 ZINC000307167956 411467772 /nfs/dbraw/zinc/46/77/72/411467772.db2.gz SWTUMIWQIFQRRN-OCCSQVGLSA-N 1 0 237.343 1.952 10 0 BDAERO CCN(Cc1ccco1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062114956 169922573 /nfs/dbraw/zinc/92/25/73/169922573.db2.gz MUAJEDQCZHCOAH-JTQLQIEISA-N 1 0 222.288 1.238 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2CO)n1C ZINC000657369899 411483536 /nfs/dbraw/zinc/48/35/36/411483536.db2.gz IPCYSOTURYEMKN-AAEUAGOBSA-N 1 0 237.347 1.369 10 0 BDAERO CO[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000659901369 411492861 /nfs/dbraw/zinc/49/28/61/411492861.db2.gz PBYNQXGBMCIHMC-ZIAGYGMSSA-N 1 0 238.375 1.582 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@@H]2C ZINC000229217457 411497343 /nfs/dbraw/zinc/49/73/43/411497343.db2.gz LDCLTTVXTQAGSG-NHCYSSNCSA-N 1 0 211.305 1.575 10 0 BDAERO CC(C)(C)[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000660442527 411511574 /nfs/dbraw/zinc/51/15/74/411511574.db2.gz WSFJDWVSIXWQHR-UTUOFQBUSA-N 1 0 227.348 1.647 10 0 BDAERO COC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000659989044 411521469 /nfs/dbraw/zinc/52/14/69/411521469.db2.gz AKCGKPOHZCOBOP-AVGNSLFASA-N 1 0 227.348 1.648 10 0 BDAERO CC[N@@H+]1CC[C@H](NCc2nccn2C(C)C)C1 ZINC000657496248 411535164 /nfs/dbraw/zinc/53/51/64/411535164.db2.gz NOKMGXVZISNVNY-LBPRGKRZSA-N 1 0 236.363 1.648 10 0 BDAERO CC[N@@H+]1CCC[C@H](NCc2nc(C)c[nH]2)C1 ZINC000657325267 411464841 /nfs/dbraw/zinc/46/48/41/411464841.db2.gz LWMGUQYPVAXKAD-NSHDSACASA-N 1 0 222.336 1.292 10 0 BDAERO CCN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000056894918 170001087 /nfs/dbraw/zinc/00/10/87/170001087.db2.gz CTSVPIQWTUXDNK-ZDUSSCGKSA-N 1 0 204.317 1.523 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657327142 411465996 /nfs/dbraw/zinc/46/59/96/411465996.db2.gz UUIYHQGQBVTJPK-JQWIXIFHSA-N 1 0 235.331 1.222 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2cc(Cl)ncn2)C1 ZINC000048631294 170009459 /nfs/dbraw/zinc/00/94/59/170009459.db2.gz KCDDSKRIKVCSHP-VIFPVBQESA-N 1 0 240.738 1.884 10 0 BDAERO CCN1CC[C@@H]([NH2+]CC2(SC)CCC2)C1 ZINC000336894743 170011351 /nfs/dbraw/zinc/01/13/51/170011351.db2.gz MCSFPKZDDYIHPL-LLVKDONJSA-N 1 0 228.405 1.956 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2ccnc(C)n2)C1 ZINC000054935893 170016176 /nfs/dbraw/zinc/01/61/76/170016176.db2.gz NALMKAFYXFQFLF-LLVKDONJSA-N 1 0 220.320 1.539 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2ccncn2)C1 ZINC000040863165 170016499 /nfs/dbraw/zinc/01/64/99/170016499.db2.gz XVCBZDUEXOGMOR-SNVBAGLBSA-N 1 0 206.293 1.230 10 0 BDAERO CC[N@@H+]1CC[C@H](CNCc2ccnc(C)n2)C1 ZINC000054790672 170017329 /nfs/dbraw/zinc/01/73/29/170017329.db2.gz JLFLODOZEAHLFF-GFCCVEGCSA-N 1 0 234.347 1.216 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2cccc(F)n2)C1 ZINC000040712223 170017480 /nfs/dbraw/zinc/01/74/80/170017480.db2.gz ZPZDOHPLELANBZ-SNVBAGLBSA-N 1 0 223.295 1.974 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)NC2CCCC2)C1 ZINC000334580013 170017703 /nfs/dbraw/zinc/01/77/03/170017703.db2.gz RQOGJUNZANPWGP-NSHDSACASA-N 1 0 225.336 1.322 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000328215491 170020419 /nfs/dbraw/zinc/02/04/19/170020419.db2.gz WQDVFLYSFTWHIK-JTQLQIEISA-N 1 0 225.361 1.635 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000328530503 170022602 /nfs/dbraw/zinc/02/26/02/170022602.db2.gz XEQBOOSXCLDOMK-SRVKXCTJSA-N 1 0 212.337 1.095 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000309453729 170031083 /nfs/dbraw/zinc/03/10/83/170031083.db2.gz LUDWGVCMXVPHFI-BXKDBHETSA-N 1 0 239.388 1.881 10 0 BDAERO CCN1C[C@H]([NH2+]CC2(SC)CC2)[C@@H](C)C1 ZINC000336760139 170034532 /nfs/dbraw/zinc/03/45/32/170034532.db2.gz LMWXYLYVYIWLNU-QWRGUYRKSA-N 1 0 228.405 1.812 10 0 BDAERO CCN1C[C@H]([NH2+]C[C@@H]2CCSC2)[C@@H](C)C1 ZINC000336761635 170035786 /nfs/dbraw/zinc/03/57/86/170035786.db2.gz MWAUFLFAXRKJJG-SRVKXCTJSA-N 1 0 228.405 1.669 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2cc(C)no2)C1 ZINC000336672137 170038283 /nfs/dbraw/zinc/03/82/83/170038283.db2.gz ACVSUPYBQCWTKG-JOYOIKCWSA-N 1 0 223.320 1.413 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2scnc2C)C1 ZINC000309653225 170038290 /nfs/dbraw/zinc/03/82/90/170038290.db2.gz OWTXMKSDLAHLNO-GXSJLCMTSA-N 1 0 239.388 1.881 10 0 BDAERO CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116293795 170050525 /nfs/dbraw/zinc/05/05/25/170050525.db2.gz CSXVWLULJJVTOG-LLVKDONJSA-N 1 0 236.315 1.943 10 0 BDAERO CCNC(=O)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000051759072 170052818 /nfs/dbraw/zinc/05/28/18/170052818.db2.gz NAFIFFVTLABGHG-UHFFFAOYSA-N 1 0 242.269 1.581 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1cccs1 ZINC000076612215 170052855 /nfs/dbraw/zinc/05/28/55/170052855.db2.gz MNHUGPPNHGURBT-VIFPVBQESA-N 1 0 226.345 1.707 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000076616989 170052867 /nfs/dbraw/zinc/05/28/67/170052867.db2.gz HPKHUNPONAHZFL-ZDUSSCGKSA-N 1 0 234.343 1.954 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1ccccc1F ZINC000076620539 170053991 /nfs/dbraw/zinc/05/39/91/170053991.db2.gz OQRJXZVLLOTIHB-SNVBAGLBSA-N 1 0 238.306 1.784 10 0 BDAERO CCNC(=O)CN(C)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000042906543 170055053 /nfs/dbraw/zinc/05/50/53/170055053.db2.gz OCYYQEOFAVZICI-ZDUSSCGKSA-N 1 0 249.358 1.063 10 0 BDAERO CCNC(=O)C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000020055139 170065918 /nfs/dbraw/zinc/06/59/18/170065918.db2.gz MSCKFDFHDRGDIT-VWYCJHECSA-N 1 0 212.337 1.537 10 0 BDAERO CCNC(=O)C[C@@H](C[NH3+])c1ccc(CC)cc1 ZINC000057524395 170069849 /nfs/dbraw/zinc/06/98/49/170069849.db2.gz OTELEEMIKIGXIS-ZDUSSCGKSA-N 1 0 234.343 1.818 10 0 BDAERO CCNC(=O)N(C)CCC1CC[NH2+]CC1 ZINC000048259943 170071227 /nfs/dbraw/zinc/07/12/27/170071227.db2.gz ICRQQACWYHAPQG-UHFFFAOYSA-N 1 0 213.325 1.037 10 0 BDAERO CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106429705 170097450 /nfs/dbraw/zinc/09/74/50/170097450.db2.gz FDTAZKGSORWBIV-LBPRGKRZSA-N 1 0 220.316 1.295 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@H](C)C1 ZINC000061278544 170106461 /nfs/dbraw/zinc/10/64/61/170106461.db2.gz SGDUJCXQLADDNW-JTQLQIEISA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]C(C)(C)c1nnc2ccc(C)nn21 ZINC000061151293 170107040 /nfs/dbraw/zinc/10/70/40/170107040.db2.gz CHDSMDNYQMPTSB-UHFFFAOYSA-N 1 0 219.292 1.277 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)NCc1cccc(C)n1 ZINC000061299404 170107388 /nfs/dbraw/zinc/10/73/88/170107388.db2.gz RKELNCCGGHTUNS-UHFFFAOYSA-N 1 0 235.331 1.394 10 0 BDAERO CC[NH2+]C(C)(C)CN(C)CCc1ccccn1 ZINC000061299641 170107413 /nfs/dbraw/zinc/10/74/13/170107413.db2.gz ADTLURWTXCKHKJ-UHFFFAOYSA-N 1 0 235.375 1.944 10 0 BDAERO CC[NH2+]C1CCN(Cc2ccc(C)nc2)CC1 ZINC000062053633 170108919 /nfs/dbraw/zinc/10/89/19/170108919.db2.gz YCFUAKSSIBCCTR-UHFFFAOYSA-N 1 0 233.359 1.964 10 0 BDAERO CC[NH2+]CC(=O)NCC[C@H](C)c1ccccc1 ZINC000061910968 170109490 /nfs/dbraw/zinc/10/94/90/170109490.db2.gz MFHMRGJYJKQRHL-LBPRGKRZSA-N 1 0 234.343 1.906 10 0 BDAERO CC[NH2+]CCOc1ccc(Br)cn1 ZINC000051869021 170116498 /nfs/dbraw/zinc/11/64/98/170116498.db2.gz MBVNFRHVIUKBED-UHFFFAOYSA-N 1 0 245.120 1.832 10 0 BDAERO CC[NH2+]CCc1cc(OC)c(OC)c(OC)c1 ZINC000034224301 170117401 /nfs/dbraw/zinc/11/74/01/170117401.db2.gz LIBBCZOPAZDNJW-UHFFFAOYSA-N 1 0 239.315 1.864 10 0 BDAERO CC[NH2+]CCc1nc2c(cccc2F)[nH]1 ZINC000051784328 170117886 /nfs/dbraw/zinc/11/78/86/170117886.db2.gz VWYNJYMIKHKSFT-UHFFFAOYSA-N 1 0 207.252 1.854 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000061227004 170118510 /nfs/dbraw/zinc/11/85/10/170118510.db2.gz QURRWZYXPKJUAX-GHMZBOCLSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]C[C@@H](C)c1nnc2ccccn21 ZINC000061219727 170118735 /nfs/dbraw/zinc/11/87/35/170118735.db2.gz NAERKVHGSZMTOD-SECBINFHSA-N 1 0 204.277 1.442 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)Cc1ccccc1 ZINC000062189124 170119159 /nfs/dbraw/zinc/11/91/59/170119159.db2.gz FWPGXWLTWVQPGN-CHWSQXEVSA-N 1 0 248.370 1.979 10 0 BDAERO CC[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000002645993 170119361 /nfs/dbraw/zinc/11/93/61/170119361.db2.gz IPZZZYBQIOUMGE-LLVKDONJSA-N 1 0 243.734 1.827 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2cc(CC)ncn2)C1 ZINC000053696300 170119966 /nfs/dbraw/zinc/11/99/66/170119966.db2.gz JFNDZCNFRIUOBS-LBPRGKRZSA-N 1 0 248.374 1.865 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000032014965 170120016 /nfs/dbraw/zinc/12/00/16/170120016.db2.gz NDPIURGXNIHJBG-SNVBAGLBSA-N 1 0 225.288 1.347 10 0 BDAERO CC[NH2+]C[C@@H]1CC[C@@H](Cn2nc(C)cc2C)O1 ZINC000052575914 170120721 /nfs/dbraw/zinc/12/07/21/170120721.db2.gz VXYYRQOOWABBQQ-STQMWFEESA-N 1 0 237.347 1.657 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1CCC(C)CC1 ZINC000061226956 170121093 /nfs/dbraw/zinc/12/10/93/170121093.db2.gz DFLDUHPQYJVHBG-NSHDSACASA-N 1 0 212.337 1.491 10 0 BDAERO CC[NH2+]C[C@@H]1CC[C@H](COC2CCOCC2)O1 ZINC000052597303 170121141 /nfs/dbraw/zinc/12/11/41/170121141.db2.gz LYICVUCPUYIFPF-QWHCGFSZSA-N 1 0 243.347 1.339 10 0 BDAERO CC[NH2+]C[C@@]1(O)CCOc2ccccc21 ZINC000055027853 170121177 /nfs/dbraw/zinc/12/11/77/170121177.db2.gz NFMKKEOJALPVKY-LBPRGKRZSA-N 1 0 207.273 1.266 10 0 BDAERO CC[NH2+]C[C@H](C(C)C)N1CCn2ccnc2C1 ZINC000062325629 170121335 /nfs/dbraw/zinc/12/13/35/170121335.db2.gz JZTWOFYJZAMAMV-GFCCVEGCSA-N 1 0 236.363 1.333 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccc(OC)c1 ZINC000061228175 170121653 /nfs/dbraw/zinc/12/16/53/170121653.db2.gz JHVCSKQRRWHZJK-JTQLQIEISA-N 1 0 236.315 1.879 10 0 BDAERO CC[NH2+]C[C@H](C)c1nnc2ccccn21 ZINC000061219729 170121741 /nfs/dbraw/zinc/12/17/41/170121741.db2.gz NAERKVHGSZMTOD-VIFPVBQESA-N 1 0 204.277 1.442 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cc(C)c(C)cc1C ZINC000033466183 170121946 /nfs/dbraw/zinc/12/19/46/170121946.db2.gz PSYGAZUBFXAZJK-ZDUSSCGKSA-N 1 0 237.343 1.961 10 0 BDAERO CC[NH2+]C[C@H](O)COc1c(C)cc(C)cc1C ZINC000033466185 170122029 /nfs/dbraw/zinc/12/20/29/170122029.db2.gz SQYIESDZHKHANY-ZDUSSCGKSA-N 1 0 237.343 1.961 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000061268085 170122257 /nfs/dbraw/zinc/12/22/57/170122257.db2.gz YRHHRFABALUUIL-WDEREUQCSA-N 1 0 242.363 1.258 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1ccc(F)c(F)c1 ZINC000071519234 170122580 /nfs/dbraw/zinc/12/25/80/170122580.db2.gz MISRFWLKDUOZJW-SECBINFHSA-N 1 0 215.243 1.478 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1ccncn1 ZINC000053697030 170122603 /nfs/dbraw/zinc/12/26/03/170122603.db2.gz OHJFNDCRCLJVLJ-SNVBAGLBSA-N 1 0 206.293 1.055 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc2c(c1)CCC2 ZINC000049813206 170122655 /nfs/dbraw/zinc/12/26/55/170122655.db2.gz HYYCRCCQKWJYMI-ZDUSSCGKSA-N 1 0 205.301 1.818 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc(OC)cc1OC ZINC000032014970 170122896 /nfs/dbraw/zinc/12/28/96/170122896.db2.gz ODGGUZXJLRDQJE-NSHDSACASA-N 1 0 225.288 1.347 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1ccc(C)c(C)c1 ZINC000071510625 170122921 /nfs/dbraw/zinc/12/29/21/170122921.db2.gz CEZAVGLEMYGQAS-CYBMUJFWSA-N 1 0 207.317 1.816 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1nccc(C)n1 ZINC000061859972 170123034 /nfs/dbraw/zinc/12/30/34/170123034.db2.gz VVOCZIHQZLEZEW-LLVKDONJSA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+]C[C@H]1CC[C@H](COC2CCOCC2)O1 ZINC000052597305 170123235 /nfs/dbraw/zinc/12/32/35/170123235.db2.gz LYICVUCPUYIFPF-CHWSQXEVSA-N 1 0 243.347 1.339 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1cc(C)ccc1OC ZINC000032014656 170123716 /nfs/dbraw/zinc/12/37/16/170123716.db2.gz WYSFYYANQWIVOE-ZDUSSCGKSA-N 1 0 223.316 1.821 10 0 BDAERO CC[NH2+]Cc1c(C)nn(Cc2cnn(C)c2)c1C ZINC000036868615 170124797 /nfs/dbraw/zinc/12/47/97/170124797.db2.gz ISEXSCAUUOKHPP-UHFFFAOYSA-N 1 0 247.346 1.391 10 0 BDAERO CC[NH2+]Cc1ccc(-n2nc(C)cc2C)nc1 ZINC000051490728 170126292 /nfs/dbraw/zinc/12/62/92/170126292.db2.gz OWRRAIHPTFBVJC-UHFFFAOYSA-N 1 0 230.315 1.994 10 0 BDAERO CC[NH2+]Cc1ccc(OC2CCOCC2)nn1 ZINC000051522277 170127718 /nfs/dbraw/zinc/12/77/18/170127718.db2.gz OKCCPYDYKIWUQF-UHFFFAOYSA-N 1 0 237.303 1.144 10 0 BDAERO CC[NH2+]Cc1cccc(-n2nc(C)cc2C)n1 ZINC000051490471 170128641 /nfs/dbraw/zinc/12/86/41/170128641.db2.gz ADLRZGPNWCZCSR-UHFFFAOYSA-N 1 0 230.315 1.994 10 0 BDAERO CC[NH2+]Cc1ccnc(-n2ccc(C)n2)c1 ZINC000052885132 170129303 /nfs/dbraw/zinc/12/93/03/170129303.db2.gz ODBNUKNEWDBDJF-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1nc(-c2cccs2)n[nH]1 ZINC000054700124 170130817 /nfs/dbraw/zinc/13/08/17/170130817.db2.gz JEZNIGMLFDAWLN-UHFFFAOYSA-N 1 0 208.290 1.643 10 0 BDAERO CC[NH2+]Cc1cnn([C@H]2CCC[C@H]2O)c1C ZINC000054599558 170130828 /nfs/dbraw/zinc/13/08/28/170130828.db2.gz YQBJIXQJLQDCEO-NWDGAFQWSA-N 1 0 223.320 1.387 10 0 BDAERO CC[NH2+]Cc1nc2cc(F)c(F)cc2[nH]1 ZINC000044623739 170132060 /nfs/dbraw/zinc/13/20/60/170132060.db2.gz HAHOXEVQEVUCLZ-UHFFFAOYSA-N 1 0 211.215 1.951 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1cccc(F)c1F ZINC000054748268 170132230 /nfs/dbraw/zinc/13/22/30/170132230.db2.gz VWUDXLLZSOZCDQ-UHFFFAOYSA-N 1 0 239.229 1.050 10 0 BDAERO CC[NH2+]Cc1occc1CN1CCOC[C@H]1C ZINC000052475856 170132594 /nfs/dbraw/zinc/13/25/94/170132594.db2.gz WZYBCIHURCMTLE-LLVKDONJSA-N 1 0 238.331 1.610 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1ccc(C(C)C)cc1 ZINC000037869704 170137948 /nfs/dbraw/zinc/13/79/48/170137948.db2.gz KDUYCSORZDKQOZ-GFCCVEGCSA-N 1 0 220.316 1.946 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1ccccc1OCC ZINC000037869678 170138000 /nfs/dbraw/zinc/13/80/00/170138000.db2.gz CQGWKJKDOADCGS-LLVKDONJSA-N 1 0 222.288 1.221 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCC(C)CC1 ZINC000061268673 170138993 /nfs/dbraw/zinc/13/89/93/170138993.db2.gz RDRHBIJMXUUKSM-NSHDSACASA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+][C@@H](C)Cc1nc(-c2ncccc2C)no1 ZINC000061213082 170140196 /nfs/dbraw/zinc/14/01/96/170140196.db2.gz FQYFDUGNLBILRD-JTQLQIEISA-N 1 0 246.314 1.981 10 0 BDAERO CC[NH2+][C@@H](C)c1cc(F)ccc1N(C)CCO ZINC000037899422 170141437 /nfs/dbraw/zinc/14/14/37/170141437.db2.gz OWAZOHVGMRGQGM-JTQLQIEISA-N 1 0 240.322 1.925 10 0 BDAERO CC[NH2+][C@@H](c1cccs1)[C@@H]1COCCO1 ZINC000055300024 170148471 /nfs/dbraw/zinc/14/84/71/170148471.db2.gz UCCXUJFEKPUVHW-GXSJLCMTSA-N 1 0 227.329 1.814 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2csc(C)n2)C1=O ZINC000049660156 170151177 /nfs/dbraw/zinc/15/11/77/170151177.db2.gz OKOHZHRWPKCIGI-SNVBAGLBSA-N 1 0 239.344 1.162 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(C)c(F)c2)C1=O ZINC000049647699 170152993 /nfs/dbraw/zinc/15/29/93/170152993.db2.gz YYPLLGZLMSRKMB-GFCCVEGCSA-N 1 0 236.290 1.849 10 0 BDAERO CCN[C@@](C)(C(N)=O)c1c(F)cccc1F ZINC000037447630 170154726 /nfs/dbraw/zinc/15/47/26/170154726.db2.gz ASGKBVZISOAZQI-LLVKDONJSA-N 1 0 228.242 1.275 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)Nc1cnn(C(C)C)c1 ZINC000061683474 170156870 /nfs/dbraw/zinc/15/68/70/170156870.db2.gz VLQSCHQVLKBBFI-SNVBAGLBSA-N 1 0 238.335 1.791 10 0 BDAERO CC[NH2+][C@H](C)CN1C(=O)c2ccccc2C1=O ZINC000043995884 170156961 /nfs/dbraw/zinc/15/69/61/170156961.db2.gz OXEXEQWHVPKPGM-SECBINFHSA-N 1 0 232.283 1.281 10 0 BDAERO CC[NH2+][C@H](CCO)c1ccnc(Cl)c1 ZINC000095091361 170161470 /nfs/dbraw/zinc/16/14/70/170161470.db2.gz RUJDTEJAGACIEO-SECBINFHSA-N 1 0 214.696 1.768 10 0 BDAERO CC[NH2+][C@H](CCOCC1CCCCC1)C(N)=O ZINC000062596007 170161804 /nfs/dbraw/zinc/16/18/04/170161804.db2.gz WNHUCSZUDATAKE-GFCCVEGCSA-N 1 0 242.363 1.437 10 0 BDAERO CC[NH2+][C@H](CC[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000062525339 170161852 /nfs/dbraw/zinc/16/18/52/170161852.db2.gz KKUOVDXEEZNAIG-GFCCVEGCSA-N 1 0 244.379 1.806 10 0 BDAERO CC[NH2+][C@H](CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443513 170161935 /nfs/dbraw/zinc/16/19/35/170161935.db2.gz AODWTWXIYMBVQV-SDDRHHMPSA-N 1 0 242.363 1.702 10 0 BDAERO CC[NH2+][C@H]1CCCCC[C@@H]1N1CCOCC1 ZINC000043808265 170165548 /nfs/dbraw/zinc/16/55/48/170165548.db2.gz ZKIIUGLRUZMHGF-STQMWFEESA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@H]1CCN(CCc2cccc(C)c2)C1=O ZINC000051670337 170168031 /nfs/dbraw/zinc/16/80/31/170168031.db2.gz ZHRNEEQNNJHTMO-AWEZNQCLSA-N 1 0 246.354 1.748 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@H]1N1CCCCC1 ZINC000043814393 170168989 /nfs/dbraw/zinc/16/89/89/170168989.db2.gz STOSOBZYMKTUAN-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO CCNc1cc(C)[nH+]c(N2CCCC2)n1 ZINC000050848868 170171944 /nfs/dbraw/zinc/17/19/44/170171944.db2.gz WDKJGIJEGAPEQC-UHFFFAOYSA-N 1 0 206.293 1.817 10 0 BDAERO CCNc1ccc([C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000039471912 170174416 /nfs/dbraw/zinc/17/44/16/170174416.db2.gz VQDKAMSYHIUOKN-YPMHNXCESA-N 1 0 202.301 1.979 10 0 BDAERO CCOC(=O)C1([NH3+])CCC(F)(F)CC1 ZINC000095774676 170190244 /nfs/dbraw/zinc/19/02/44/170190244.db2.gz BDLHYYKWQNFLHJ-UHFFFAOYSA-N 1 0 207.220 1.456 10 0 BDAERO CCOC(=O)CC[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037636497 170211705 /nfs/dbraw/zinc/21/17/05/170211705.db2.gz UVVJMEVFLLUZAW-LBPRGKRZSA-N 1 0 249.310 1.965 10 0 BDAERO CCOC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917501 170239139 /nfs/dbraw/zinc/23/91/39/170239139.db2.gz IYPSWNYMFBWIMD-QWRGUYRKSA-N 1 0 226.320 1.607 10 0 BDAERO CCOC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000019424575 170241768 /nfs/dbraw/zinc/24/17/68/170241768.db2.gz MELVMCMTZZNBMO-SECBINFHSA-N 1 0 200.282 1.265 10 0 BDAERO CCOC(=O)[C@@H](CC(C)C)N1CCC[NH2+]CC1 ZINC000037959660 170250043 /nfs/dbraw/zinc/25/00/43/170250043.db2.gz UUUCOMKYPZKNCH-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@@H](N)CC[N@@H+]1CCC[C@H](CC)C1 ZINC000062449813 170252449 /nfs/dbraw/zinc/25/24/49/170252449.db2.gz PNHBVGXUGFPEOG-RYUDHWBXSA-N 1 0 242.363 1.389 10 0 BDAERO CCOC(=O)[C@@](C)(CC)NCC[NH+](CC)CC ZINC000037958779 170260131 /nfs/dbraw/zinc/26/01/31/170260131.db2.gz MJTACHSGMAYTBR-CYBMUJFWSA-N 1 0 244.379 1.650 10 0 BDAERO CCOC(=O)[C@](C)(CC)NCC[NH+](CC)CC ZINC000037958778 170284403 /nfs/dbraw/zinc/28/44/03/170284403.db2.gz MJTACHSGMAYTBR-ZDUSSCGKSA-N 1 0 244.379 1.650 10 0 BDAERO Cc1c(C[NH2+]CCO[C@@H]2CC2(F)F)cnn1C ZINC000657620030 411565364 /nfs/dbraw/zinc/56/53/64/411565364.db2.gz ZSKCNKGQOPVHKJ-SNVBAGLBSA-N 1 0 245.273 1.242 10 0 BDAERO CCOC1(C)CC[NH+](CC(C)(C)O)CC1 ZINC000336700502 170318311 /nfs/dbraw/zinc/31/83/11/170318311.db2.gz PLCHJTZQFMOTKN-UHFFFAOYSA-N 1 0 215.337 1.648 10 0 BDAERO CCOC1(OCC[NH+](C)C)CCCC1 ZINC000039099016 170320284 /nfs/dbraw/zinc/32/02/84/170320284.db2.gz QPAXEXIFTODFEJ-UHFFFAOYSA-N 1 0 201.310 1.871 10 0 BDAERO CCOCC(C)(C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000339372675 170355032 /nfs/dbraw/zinc/35/50/32/170355032.db2.gz QJLFWMAJBMMOQX-LLVKDONJSA-N 1 0 247.379 1.567 10 0 BDAERO COc1c(C[NH2+]CCC(C)(C)F)c(C)nn1C ZINC000657644555 411568250 /nfs/dbraw/zinc/56/82/50/411568250.db2.gz OFDIOLKLDZZGKE-UHFFFAOYSA-N 1 0 243.326 1.965 10 0 BDAERO CCOCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000055123931 170378609 /nfs/dbraw/zinc/37/86/09/170378609.db2.gz NKGQGDNWORSUTA-IJLUTSLNSA-N 1 0 242.363 1.293 10 0 BDAERO CCOCCN(CC)c1ncccc1C(N)=[NH2+] ZINC000104199220 170396998 /nfs/dbraw/zinc/39/69/98/170396998.db2.gz MDIMVYSGGWXSDX-UHFFFAOYSA-N 1 0 236.319 1.228 10 0 BDAERO CCN1CC[C@@H]([NH2+]C2(C3CCC3)CCC2)C1=O ZINC000660777693 411625140 /nfs/dbraw/zinc/62/51/40/411625140.db2.gz DCOIMPPGJNFWLQ-GFCCVEGCSA-N 1 0 236.359 1.920 10 0 BDAERO CCOCCOC[C@@H](O)C[NH2+]CCCC(C)C ZINC000037984809 170419866 /nfs/dbraw/zinc/41/98/66/170419866.db2.gz QWYWATLVYQQDEP-ZDUSSCGKSA-N 1 0 247.379 1.426 10 0 BDAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)o1 ZINC000657693419 411580154 /nfs/dbraw/zinc/58/01/54/411580154.db2.gz CEBCWCJHNQMBPC-SNVBAGLBSA-N 1 0 222.288 1.156 10 0 BDAERO COc1ccccc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657695383 411581069 /nfs/dbraw/zinc/58/10/69/411581069.db2.gz ZVYKFUZPDXYTGK-LLVKDONJSA-N 1 0 248.326 1.263 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@H]1C[C@H]1C ZINC000657695977 411581379 /nfs/dbraw/zinc/58/13/79/411581379.db2.gz DKIYHWNOWGEZPU-YTWAJWBKSA-N 1 0 210.321 1.099 10 0 BDAERO CN1C[C@H](C[NH2+]Cc2ccccc2)CC1=O ZINC000657695075 411581436 /nfs/dbraw/zinc/58/14/36/411581436.db2.gz UNABWQYXSQUNIZ-LBPRGKRZSA-N 1 0 218.300 1.255 10 0 BDAERO CCOC[C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055138718 170445340 /nfs/dbraw/zinc/44/53/40/170445340.db2.gz LNDULLXMXOIQDH-QCNOEVLYSA-N 1 0 242.363 1.291 10 0 BDAERO CCOc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657809299 411601460 /nfs/dbraw/zinc/60/14/60/411601460.db2.gz VQKGWQXUCUQTFH-UHFFFAOYSA-N 1 0 235.327 1.946 10 0 BDAERO Cc1ccccc1C[NH2+]C1CC(CO)C1 ZINC000657809439 411601510 /nfs/dbraw/zinc/60/15/10/411601510.db2.gz YCZRCERRBJJUCI-UHFFFAOYSA-N 1 0 205.301 1.856 10 0 BDAERO c1ncn(CC[NH2+][C@H]2CCCC23CC3)n1 ZINC000657858090 411612671 /nfs/dbraw/zinc/61/26/71/411612671.db2.gz XHKOLFFIOOSHQC-JTQLQIEISA-N 1 0 206.293 1.200 10 0 BDAERO CCO[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)CC)C1 ZINC000042424951 170479438 /nfs/dbraw/zinc/47/94/38/170479438.db2.gz ZWKUOSDBTSPZPF-VXGBXAGGSA-N 1 0 242.363 1.402 10 0 BDAERO CCOc1ccc(-n2cc(CC[NH3+])cn2)cc1 ZINC000071535384 170534014 /nfs/dbraw/zinc/53/40/14/170534014.db2.gz HCQAETLHUWZEQY-UHFFFAOYSA-N 1 0 231.299 1.772 10 0 BDAERO CCOc1ccc([C@H](C[NH3+])C(=O)OC)cc1 ZINC000057515810 170563244 /nfs/dbraw/zinc/56/32/44/170563244.db2.gz YMZZLVXWDCOFEA-NSHDSACASA-N 1 0 223.272 1.301 10 0 BDAERO CC(C)([NH3+])c1cn(Cc2ccc(CO)cc2)nn1 ZINC000133278009 411700309 /nfs/dbraw/zinc/70/03/09/411700309.db2.gz GLVYSTXELBHSAD-UHFFFAOYSA-N 1 0 246.314 1.013 10 0 BDAERO CCOc1cccc([C@H](C[NH3+])CC(=O)OC)c1 ZINC000057528653 170585746 /nfs/dbraw/zinc/58/57/46/170585746.db2.gz AADGOVKNIZBAKY-NSHDSACASA-N 1 0 237.299 1.691 10 0 BDAERO CCc1cc(NCc2ccccc2)nc(NN)[nH+]1 ZINC000575519149 411769666 /nfs/dbraw/zinc/76/96/66/411769666.db2.gz BTMXAXRVVUJQJD-UHFFFAOYSA-N 1 0 243.314 1.937 10 0 BDAERO CCSCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000119299430 170634071 /nfs/dbraw/zinc/63/40/71/170634071.db2.gz RJARYLOIUMZANN-NSHDSACASA-N 1 0 232.393 1.002 10 0 BDAERO CCc1csc(NCCOCCC[NH3+])n1 ZINC000630535001 411783284 /nfs/dbraw/zinc/78/32/84/411783284.db2.gz CSNGNQDBCBSNSV-UHFFFAOYSA-N 1 0 229.349 1.483 10 0 BDAERO CC(C)[N@@H+]1CCN[C@H](c2ccc(N)nc2)C1 ZINC000616632091 411865151 /nfs/dbraw/zinc/86/51/51/411865151.db2.gz HNMGJOFSIKEGBG-NSHDSACASA-N 1 0 220.320 1.019 10 0 BDAERO C[C@@H]1C[NH+](C[C@@H]2CCC[C@H](O)C2)C[C@@H](C)C1O ZINC000661620157 411820873 /nfs/dbraw/zinc/82/08/73/411820873.db2.gz HRIFUQWVVOWWNN-LPWJVIDDSA-N 1 0 241.375 1.486 10 0 BDAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000020364020 170746060 /nfs/dbraw/zinc/74/60/60/170746060.db2.gz KIUKCBDVFPVEBU-VWYCJHECSA-N 1 0 214.353 1.924 10 0 BDAERO Cc1cccc(CC(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000133594806 411852418 /nfs/dbraw/zinc/85/24/18/411852418.db2.gz ZVJQFNXUFNEXAX-CYBMUJFWSA-N 1 0 232.327 1.263 10 0 BDAERO CC[N@@H+]1CCOC[C@@H](c2ccnc(N)c2)C1 ZINC000616661329 411857770 /nfs/dbraw/zinc/85/77/70/411857770.db2.gz QEUWUGKWPABRSI-NSHDSACASA-N 1 0 221.304 1.100 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cnccn1 ZINC000383421640 487621061 /nfs/dbraw/zinc/62/10/61/487621061.db2.gz PBIPWDZQFWJLDB-WDEREUQCSA-N 1 0 218.304 1.150 10 0 BDAERO CC(C)[N@@H+]1CCC[C@H](c2cc(N)n[nH]2)CC1 ZINC000616600474 411870810 /nfs/dbraw/zinc/87/08/10/411870810.db2.gz ANVJBRDHTZGRQI-JTQLQIEISA-N 1 0 222.336 1.970 10 0 BDAERO CC[C@@H]([NH2+]Cc1nnnn1C(C)C)C1CC1 ZINC000661759737 411870871 /nfs/dbraw/zinc/87/08/71/411870871.db2.gz ZHNNHLRDQAIIIH-SNVBAGLBSA-N 1 0 223.324 1.532 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2cc(N)n[nH]2)CC1 ZINC000616687373 411871863 /nfs/dbraw/zinc/87/18/63/411871863.db2.gz WNGVFNPSNCMISB-JTQLQIEISA-N 1 0 224.308 1.164 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1c[nH]nc1N ZINC000616645458 411872395 /nfs/dbraw/zinc/87/23/95/411872395.db2.gz LHKVTQIAIARRLM-SNVBAGLBSA-N 1 0 224.308 1.164 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](c2ccc(N)nc2)C1 ZINC000616614002 411872498 /nfs/dbraw/zinc/87/24/98/411872498.db2.gz ZDLAMYSPIYQUGV-NSHDSACASA-N 1 0 205.305 1.862 10 0 BDAERO c1cnc2nc(NC[C@H]3CC[NH2+]C3)ccc2n1 ZINC000133779545 411946105 /nfs/dbraw/zinc/94/61/05/411946105.db2.gz JOVXJHCYALHZOZ-VIFPVBQESA-N 1 0 229.287 1.046 10 0 BDAERO CCN(CC[NH3+])c1ccc(C(F)(F)F)nn1 ZINC000132525967 412025802 /nfs/dbraw/zinc/02/58/02/412025802.db2.gz KFUDRTJMCDEOMW-UHFFFAOYSA-N 1 0 234.225 1.280 10 0 BDAERO CC[C@@H]1CN(C(=O)c2ccc(O)cc2)CC[N@@H+]1C ZINC000104129921 171070934 /nfs/dbraw/zinc/07/09/34/171070934.db2.gz OQOOJXGJWSJRLX-GFCCVEGCSA-N 1 0 248.326 1.558 10 0 BDAERO CC[C@@H]1CN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CCO1 ZINC000036769690 171096782 /nfs/dbraw/zinc/09/67/82/171096782.db2.gz HOHGRQVTVLFJJG-YUELXQCFSA-N 1 0 246.354 1.722 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(C)=O ZINC000375871488 171098728 /nfs/dbraw/zinc/09/87/28/171098728.db2.gz CTGQAUHKDMCVLU-NEPJUHHUSA-N 1 0 210.321 1.482 10 0 BDAERO CC[C@@](C)(CN)[NH+]1CCC(OC)CC1 ZINC000037265969 171166470 /nfs/dbraw/zinc/16/64/70/171166470.db2.gz RKHZAAQRTKMHON-NSHDSACASA-N 1 0 200.326 1.225 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000123532355 171177883 /nfs/dbraw/zinc/17/78/83/171177883.db2.gz IHRRZDZWAXUNJG-CHWSQXEVSA-N 1 0 237.347 1.718 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCC(C)(OC)CC1 ZINC000336676593 171178408 /nfs/dbraw/zinc/17/84/08/171178408.db2.gz HTOZIJIXGRKMLD-LLVKDONJSA-N 1 0 215.337 1.648 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000119487173 171178846 /nfs/dbraw/zinc/17/88/46/171178846.db2.gz HRMWIEUGMBUFPF-CMPLNLGQSA-N 1 0 229.320 1.032 10 0 BDAERO CC[C@@]1(C)[NH2+]C(C)(C)CN(C(C)C)C1=O ZINC000039249727 171209300 /nfs/dbraw/zinc/20/93/00/171209300.db2.gz NYIPOHVLRWJXJY-GFCCVEGCSA-N 1 0 212.337 1.774 10 0 BDAERO CC[C@H](C)C[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000036944064 171287309 /nfs/dbraw/zinc/28/73/09/171287309.db2.gz VHORKJKJXLOMHP-UWVGGRQHSA-N 1 0 219.350 1.199 10 0 BDAERO CC[C@H](C)N(C)C(=O)CCCCC[NH3+] ZINC000037110305 171301965 /nfs/dbraw/zinc/30/19/65/171301965.db2.gz ICLVXVGEAVASFH-JTQLQIEISA-N 1 0 200.326 1.762 10 0 BDAERO CC[C@H](C)[N@H+](C)C1(CN)CCSCC1 ZINC000042335022 171304651 /nfs/dbraw/zinc/30/46/51/171304651.db2.gz UEJKULIFNXWDLU-JTQLQIEISA-N 1 0 216.394 1.941 10 0 BDAERO CC[C@H](C)[N@H+](CC(N)=O)Cc1cccc(N)c1 ZINC000035366806 171312204 /nfs/dbraw/zinc/31/22/04/171312204.db2.gz ARGPUAVTWNBCKC-JTQLQIEISA-N 1 0 235.331 1.355 10 0 BDAERO CC[C@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000181125549 171318399 /nfs/dbraw/zinc/31/83/99/171318399.db2.gz KTYWLPDWJRYWTK-RYUDHWBXSA-N 1 0 223.320 1.382 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[C@@H]2CC=C[C@H]12 ZINC000226098973 171322706 /nfs/dbraw/zinc/32/27/06/171322706.db2.gz FWWXAWLYWBGCFJ-ZDEQEGDKSA-N 1 0 236.359 1.845 10 0 BDAERO CC[C@H](C)NC(=O)C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049205713 171326449 /nfs/dbraw/zinc/32/64/49/171326449.db2.gz JKGBBGBCAPQBSE-RYUDHWBXSA-N 1 0 243.395 1.077 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](C)N(CC)C[C@@H](C)C[NH3+] ZINC000042442793 171333494 /nfs/dbraw/zinc/33/34/94/171333494.db2.gz HCNLNPCWDAHBKL-SRVKXCTJSA-N 1 0 243.395 1.206 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc2n[nH]cc21 ZINC000037769601 171339131 /nfs/dbraw/zinc/33/91/31/171339131.db2.gz OTPXSZOQDGFNHU-VIFPVBQESA-N 1 0 246.314 1.890 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCOC(C)(C)C1 ZINC000037479844 171339808 /nfs/dbraw/zinc/33/98/08/171339808.db2.gz KYHFEKYVXPZWTE-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO CC[C@H](C)[NH2+]C[C@H](C)N(C)Cc1cnn(C)c1 ZINC000053497420 171341112 /nfs/dbraw/zinc/34/11/12/171341112.db2.gz KSGHHVXSZPXFBG-RYUDHWBXSA-N 1 0 238.379 1.629 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)on1 ZINC000019484876 171372321 /nfs/dbraw/zinc/37/23/21/171372321.db2.gz DKVNSLBVQXAQII-IMTBSYHQSA-N 1 0 211.265 1.295 10 0 BDAERO O=c1[nH]c(NC2CC[NH2+]CC2)nc2ccccc21 ZINC000073668195 412110207 /nfs/dbraw/zinc/11/02/07/412110207.db2.gz OVMMJQHRDPSYJN-UHFFFAOYSA-N 1 0 244.298 1.087 10 0 BDAERO CC[C@H](COC)[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033774 171458224 /nfs/dbraw/zinc/45/82/24/171458224.db2.gz WIOXRCIWVZLGND-FBTJUVTCSA-N 1 0 215.337 1.957 10 0 BDAERO C[C@H](N[C@H]1CCC[NH2+]CC1)c1cscn1 ZINC000665240774 412182757 /nfs/dbraw/zinc/18/27/57/412182757.db2.gz SCYXJLMADQPVLM-UWVGGRQHSA-N 1 0 225.361 1.936 10 0 BDAERO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc[nH]n2)C1 ZINC000616614845 412201972 /nfs/dbraw/zinc/20/19/72/412201972.db2.gz XJECYTWFWXWXRP-SECBINFHSA-N 1 0 208.309 1.694 10 0 BDAERO CC[C@H](NC(=O)[C@H](C)C[NH3+])c1cccs1 ZINC000054345297 171506790 /nfs/dbraw/zinc/50/67/90/171506790.db2.gz ZMGQFPHLLJEATM-BDAKNGLRSA-N 1 0 226.345 1.910 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H](CCF)C1 ZINC000662686873 412270863 /nfs/dbraw/zinc/27/08/63/412270863.db2.gz BJCBYZHKHLDBTA-IJLUTSLNSA-N 1 0 242.338 1.440 10 0 BDAERO CCC1(CC)CCCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000662690714 412271750 /nfs/dbraw/zinc/27/17/50/412271750.db2.gz DWZAYPIDFKKXOF-LLVKDONJSA-N 1 0 242.363 1.389 10 0 BDAERO CC[C@H](Oc1cccc2c1CC[C@H]2[NH2+]C)C(N)=O ZINC000062799134 171591150 /nfs/dbraw/zinc/59/11/50/171591150.db2.gz JWRVWLZLTCAYLO-NEPJUHHUSA-N 1 0 248.326 1.536 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000662560719 412218446 /nfs/dbraw/zinc/21/84/46/412218446.db2.gz MWXGCRVUXFBYIG-DBIOUOCHSA-N 1 0 210.321 1.147 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)c1ccccn1 ZINC000662606008 412237242 /nfs/dbraw/zinc/23/72/42/412237242.db2.gz OMZPNUISABRGFJ-RYUDHWBXSA-N 1 0 249.358 1.675 10 0 BDAERO CC[C@H]1CN([C@@H]2CCCC[NH2+]C2)CCO1 ZINC000054135051 171664980 /nfs/dbraw/zinc/66/49/80/171664980.db2.gz GXMFFIMABFHHRT-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@H]1CN(c2nncs2)[C@H](C)C[NH2+]1 ZINC000083347097 171667375 /nfs/dbraw/zinc/66/73/75/171667375.db2.gz YPYXZOJDMCTCRP-SFYZADRCSA-N 1 0 212.322 1.115 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1CC2(CCC2)C1 ZINC000662907787 412342083 /nfs/dbraw/zinc/34/20/83/412342083.db2.gz XOIYOIGONJBTTG-JQWIXIFHSA-N 1 0 236.359 1.823 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC(C)(C1CC1)C1CC1 ZINC000662915362 412344675 /nfs/dbraw/zinc/34/46/75/412344675.db2.gz LTGAADNSJXYDFF-NSHDSACASA-N 1 0 224.348 1.809 10 0 BDAERO CC[C@]1(C(=O)N(C)[C@@H](C)COC)CCC[NH2+]C1 ZINC000062857280 171710683 /nfs/dbraw/zinc/71/06/83/171710683.db2.gz FGUDTYXYTIYJOA-AAEUAGOBSA-N 1 0 242.363 1.260 10 0 BDAERO CCCOc1nccnc1NC[C@H]1CCC[NH2+]1 ZINC000630509085 412359907 /nfs/dbraw/zinc/35/99/07/412359907.db2.gz URMLJVLINQEMBZ-SNVBAGLBSA-N 1 0 236.319 1.429 10 0 BDAERO CCCOc1nccnc1NC[C@H](C)C[NH3+] ZINC000630512066 412360271 /nfs/dbraw/zinc/36/02/71/412360271.db2.gz STHAAIRMJRLUKH-SECBINFHSA-N 1 0 224.308 1.272 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000662971216 412360467 /nfs/dbraw/zinc/36/04/67/412360467.db2.gz ZYKFASWYNYRRBO-VHSXEESVSA-N 1 0 236.319 1.042 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000662970964 412360748 /nfs/dbraw/zinc/36/07/48/412360748.db2.gz VYZHFYQLGQYHOY-UWVGGRQHSA-N 1 0 236.319 1.055 10 0 BDAERO CCCCCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662977053 412361565 /nfs/dbraw/zinc/36/15/65/412361565.db2.gz SCNDMJDTNOCSHJ-MRVPVSSYSA-N 1 0 240.269 1.915 10 0 BDAERO CC[C@H](C)CC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662983600 412362884 /nfs/dbraw/zinc/36/28/84/412362884.db2.gz DIPQWYDFDIKWKC-JGVFFNPUSA-N 1 0 240.269 1.771 10 0 BDAERO CN(C(=O)c1cccnc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662981406 412363053 /nfs/dbraw/zinc/36/30/53/412363053.db2.gz PTASXABWIYPGRQ-QMMMGPOBSA-N 1 0 247.220 1.043 10 0 BDAERO CCCc1nccnc1NCCOCCC[NH3+] ZINC000630537705 412368835 /nfs/dbraw/zinc/36/88/35/412368835.db2.gz PXIPXTFITZJTEH-UHFFFAOYSA-N 1 0 238.335 1.206 10 0 BDAERO CCc1ccc(C(=O)N(C)C[C@H](C)C[NH3+])cc1 ZINC000042455147 171783101 /nfs/dbraw/zinc/78/31/01/171783101.db2.gz LEWUAWCBWLVDKT-LLVKDONJSA-N 1 0 234.343 1.916 10 0 BDAERO CCCc1nccnc1N[C@@H]1CCC[NH2+]C1 ZINC000663270255 412403535 /nfs/dbraw/zinc/40/35/35/412403535.db2.gz JCOJVEKLNXRPMX-SNVBAGLBSA-N 1 0 220.320 1.593 10 0 BDAERO CCCc1nccnc1NC[C@H]([NH3+])C(C)C ZINC000663270204 412403719 /nfs/dbraw/zinc/40/37/19/412403719.db2.gz HYZKNOXGVUMMLN-JTQLQIEISA-N 1 0 222.336 1.824 10 0 BDAERO CCCc1nccnc1N1CCC[NH2+]CC1 ZINC000663269813 412403789 /nfs/dbraw/zinc/40/37/89/412403789.db2.gz CJVUFJFAEULVRB-UHFFFAOYSA-N 1 0 220.320 1.229 10 0 BDAERO c1cc2c(ncnc2NCC23CC(C2)C[NH2+]3)[nH]1 ZINC000663274110 412404109 /nfs/dbraw/zinc/40/41/09/412404109.db2.gz NNONTQBHLONFSS-UHFFFAOYSA-N 1 0 229.287 1.122 10 0 BDAERO CCCc1nccnc1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000663273165 412404308 /nfs/dbraw/zinc/40/43/08/412404308.db2.gz XRJSVLTVOVMJKR-QWRGUYRKSA-N 1 0 234.347 1.603 10 0 BDAERO CCc1nc(C)cc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663273807 412404498 /nfs/dbraw/zinc/40/44/98/412404498.db2.gz JLPVUJTXTVIAOR-UHFFFAOYSA-N 1 0 232.331 1.511 10 0 BDAERO CCCc1nccnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000663271466 412404717 /nfs/dbraw/zinc/40/47/17/412404717.db2.gz BMMLIPSERMZVDT-NEPJUHHUSA-N 1 0 246.358 1.760 10 0 BDAERO CCCc1nccnc1N1C[C@H](C[NH3+])C[C@H]1C ZINC000663273161 412404745 /nfs/dbraw/zinc/40/47/45/412404745.db2.gz XRJSVLTVOVMJKR-MNOVXSKESA-N 1 0 234.347 1.603 10 0 BDAERO Cc1nc(NCC23CC(C2)C[NH2+]3)sc1C ZINC000663275015 412405016 /nfs/dbraw/zinc/40/50/16/412405016.db2.gz YUAHKZUECISJJE-UHFFFAOYSA-N 1 0 223.345 1.924 10 0 BDAERO COc1cc(C)nc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663276045 412405137 /nfs/dbraw/zinc/40/51/37/412405137.db2.gz JKWAMJHLXWFLRG-SNVBAGLBSA-N 1 0 238.335 1.579 10 0 BDAERO CC(C)[C@H]([NH3+])CCNc1ncncc1Cl ZINC000663276184 412405388 /nfs/dbraw/zinc/40/53/88/412405388.db2.gz XPSNTDGIRKVDDN-SECBINFHSA-N 1 0 228.727 1.915 10 0 BDAERO FC(F)c1nnc(NCC23CC(C2)C[NH2+]3)s1 ZINC000663276053 412405462 /nfs/dbraw/zinc/40/54/62/412405462.db2.gz VMFQDDKEOGNPSR-UHFFFAOYSA-N 1 0 246.286 1.640 10 0 BDAERO Cc1cnc(C)c(NCC23CC(C2)C[NH2+]3)n1 ZINC000663275549 412405526 /nfs/dbraw/zinc/40/55/26/412405526.db2.gz ZLUJDQNNVIFAKX-UHFFFAOYSA-N 1 0 218.304 1.257 10 0 BDAERO CCOc1cc(N[C@H](C)C[NH2+]C)nc(C)n1 ZINC000663277866 412406506 /nfs/dbraw/zinc/40/65/06/412406506.db2.gz YGQHGWCHVXAWHK-MRVPVSSYSA-N 1 0 224.308 1.204 10 0 BDAERO OCc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000133103555 412410827 /nfs/dbraw/zinc/41/08/27/412410827.db2.gz JCCLCDLWOHYESN-KBPBESRZSA-N 1 0 235.327 1.430 10 0 BDAERO CCc1ncnc(NC2CC[NH2+]CC2)c1C ZINC000045950823 172031653 /nfs/dbraw/zinc/03/16/53/172031653.db2.gz DODSKOWNWHTDDE-UHFFFAOYSA-N 1 0 220.320 1.511 10 0 BDAERO CCc1nnc(N[C@H]2CCC[C@@H]2C[NH3+])nc1CC ZINC000097837999 172062125 /nfs/dbraw/zinc/06/21/25/172062125.db2.gz RUAURBJAZGXNBG-SKDRFNHKSA-N 1 0 249.362 1.536 10 0 BDAERO CCc1nnc2n1C[C@H]([NH2+][C@H](C)CC)CC2 ZINC000369853447 172068957 /nfs/dbraw/zinc/06/89/57/172068957.db2.gz RAYSHUWOGHKFDC-NXEZZACHSA-N 1 0 222.336 1.543 10 0 BDAERO CCc1noc(C)c1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000336598908 172074463 /nfs/dbraw/zinc/07/44/63/172074463.db2.gz MLJKTKSEZKESCF-VIFPVBQESA-N 1 0 237.303 1.109 10 0 BDAERO CCc1nocc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000339283322 172100583 /nfs/dbraw/zinc/10/05/83/172100583.db2.gz PINRXNCTKBCELQ-BXKDBHETSA-N 1 0 224.304 1.488 10 0 BDAERO CCc1oc2ccccc2c1[C@@H](O)C[NH3+] ZINC000039100994 172113001 /nfs/dbraw/zinc/11/30/01/172113001.db2.gz ZNRWMKWDDCZZCV-VIFPVBQESA-N 1 0 205.257 1.987 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@@](C)(CO)C(C)C ZINC000352881804 172139879 /nfs/dbraw/zinc/13/98/79/172139879.db2.gz KCKFWPOEXJOGQK-LBPRGKRZSA-N 1 0 240.351 1.103 10 0 BDAERO CCn1cc(NCc2c[nH]cn2)ccc1=O ZINC000054765043 172185833 /nfs/dbraw/zinc/18/58/33/172185833.db2.gz QVPJYMAZFRUBOW-UHFFFAOYSA-N 1 0 218.260 1.203 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@H](C)CCO ZINC000085610073 172207375 /nfs/dbraw/zinc/20/73/75/172207375.db2.gz QECYCWPXXVOTOX-NSHDSACASA-N 1 0 210.321 1.616 10 0 BDAERO CCn1ccnc1C[N@@H+]1CCC[C@H]1CCCO ZINC000054743910 172219639 /nfs/dbraw/zinc/21/96/39/172219639.db2.gz WLQWQTUXXAFLEI-LBPRGKRZSA-N 1 0 237.347 1.640 10 0 BDAERO CCn1ccnc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000052002999 172224933 /nfs/dbraw/zinc/22/49/33/172224933.db2.gz ULIZUZCKMOAOTC-WDEREUQCSA-N 1 0 223.320 1.296 10 0 BDAERO CCn1ccnc1CN[C@H](C)C[NH+]1CCCC1 ZINC000051924136 172225039 /nfs/dbraw/zinc/22/50/39/172225039.db2.gz MVLPAQWDKFOCBJ-GFCCVEGCSA-N 1 0 236.363 1.477 10 0 BDAERO CCn1ccnc1N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000053712656 172225727 /nfs/dbraw/zinc/22/57/27/172225727.db2.gz JEYSSMNYLGBSIN-UWVGGRQHSA-N 1 0 208.309 1.090 10 0 BDAERO CCn1ccnc1N1CCC[C@H]1C[NH2+]C ZINC000053703920 172226306 /nfs/dbraw/zinc/22/63/06/172226306.db2.gz BMVNCDVESGZLNW-JTQLQIEISA-N 1 0 208.309 1.091 10 0 BDAERO CCn1ccnc1N1CCC[C@@H](C[NH3+])C1 ZINC000050614396 172226860 /nfs/dbraw/zinc/22/68/60/172226860.db2.gz JVKPOHYQEOOHST-JTQLQIEISA-N 1 0 208.309 1.078 10 0 BDAERO CCn1nnc(C[NH3+])c1-c1cccs1 ZINC000062297644 172286717 /nfs/dbraw/zinc/28/67/17/172286717.db2.gz WGORCYYTAZSQQU-UHFFFAOYSA-N 1 0 208.290 1.485 10 0 BDAERO CN(C(=O)CC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000037470158 172300878 /nfs/dbraw/zinc/30/08/78/172300878.db2.gz CICZFLCTQMJROZ-SNVBAGLBSA-N 1 0 212.337 1.633 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000022000537 172325384 /nfs/dbraw/zinc/32/53/84/172325384.db2.gz QJMYPERUKAEOQL-VIFPVBQESA-N 1 0 214.309 1.953 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000032098800 172325778 /nfs/dbraw/zinc/32/57/78/172325778.db2.gz JFFKYXDQBCCTPG-QMMMGPOBSA-N 1 0 200.282 1.563 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CCSC1 ZINC000223377952 172328038 /nfs/dbraw/zinc/32/80/38/172328038.db2.gz RMFTZKHYLDJILV-OPRDCNLKSA-N 1 0 228.361 1.078 10 0 BDAERO CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000336628856 172333616 /nfs/dbraw/zinc/33/36/16/172333616.db2.gz UXAXRNLEQKMYFR-VHSXEESVSA-N 1 0 212.337 1.761 10 0 BDAERO CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000336628854 172333681 /nfs/dbraw/zinc/33/36/81/172333681.db2.gz UXAXRNLEQKMYFR-UWVGGRQHSA-N 1 0 212.337 1.761 10 0 BDAERO CN(C(=O)[C@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000092239742 172334290 /nfs/dbraw/zinc/33/42/90/172334290.db2.gz WUQBAFZLKGHHSI-NSHDSACASA-N 1 0 248.351 1.306 10 0 BDAERO CN(C(=O)c1cccc2ccccc21)C1C[NH2+]C1 ZINC000090289760 172342772 /nfs/dbraw/zinc/34/27/72/172342772.db2.gz HUPSINLSDWKTLN-UHFFFAOYSA-N 1 0 240.306 1.884 10 0 BDAERO CN(C)C(=O)c1cc(N[C@@H]2CCC[C@@H]2[NH3+])ccn1 ZINC000063177319 172388475 /nfs/dbraw/zinc/38/84/75/172388475.db2.gz VARKSEPOTHHXPI-WDEREUQCSA-N 1 0 248.330 1.075 10 0 BDAERO CN(C)C(=O)c1cccc(NC2CC[NH2+]CC2)c1 ZINC000038041222 172390764 /nfs/dbraw/zinc/39/07/64/172390764.db2.gz DSOBRCSXHVDROD-UHFFFAOYSA-N 1 0 247.342 1.552 10 0 BDAERO CN(C)CC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000032100869 172466441 /nfs/dbraw/zinc/46/64/41/172466441.db2.gz ZGXNDIZBRQHBQJ-LBPRGKRZSA-N 1 0 242.750 1.525 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2cnc3ccccc3n2)C1 ZINC000170844140 172528599 /nfs/dbraw/zinc/52/85/99/172528599.db2.gz QXXNAFNVIIZFMH-LLVKDONJSA-N 1 0 242.326 1.770 10 0 BDAERO CN(C)c1nc2ccccc2cc1C[NH3+] ZINC000020469754 172578263 /nfs/dbraw/zinc/57/82/63/172578263.db2.gz OAMJNNQZOVQCTD-UHFFFAOYSA-N 1 0 201.273 1.760 10 0 BDAERO CN(CCC[NH3+])c1ncccc1C(F)(F)F ZINC000019834347 172704002 /nfs/dbraw/zinc/70/40/02/172704002.db2.gz GAGWVBZHQFLTPJ-UHFFFAOYSA-N 1 0 233.237 1.885 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1cc(Cl)ncn1 ZINC000095070823 172827506 /nfs/dbraw/zinc/82/75/06/172827506.db2.gz UWDWFYDFNAPBRR-SECBINFHSA-N 1 0 240.738 1.708 10 0 BDAERO CN(Cc1cscn1)C[C@H]1CCCC[NH2+]1 ZINC000042869427 172921607 /nfs/dbraw/zinc/92/16/07/172921607.db2.gz VEYBORCBTYMXGA-SNVBAGLBSA-N 1 0 225.361 1.717 10 0 BDAERO CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000104358712 172925167 /nfs/dbraw/zinc/92/51/67/172925167.db2.gz OMVYGIZOCHJVJY-LLVKDONJSA-N 1 0 244.342 1.747 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CNc1ncccc1N ZINC000044563695 173010436 /nfs/dbraw/zinc/01/04/36/173010436.db2.gz VAJPDIIXXSHKQN-JTQLQIEISA-N 1 0 220.320 1.560 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000054239850 173010627 /nfs/dbraw/zinc/01/06/27/173010627.db2.gz DYADKOGVCSBPHK-CPCZMJQVSA-N 1 0 226.364 1.364 10 0 BDAERO CN(Cc1ccccc1N)[C@H]1CCC[N@H+](C)C1 ZINC000053205226 173043390 /nfs/dbraw/zinc/04/33/90/173043390.db2.gz WSLOFSLDPCIARS-ZDUSSCGKSA-N 1 0 233.359 1.795 10 0 BDAERO CN1CCC[C@H]([N@H+](C)Cc2cccc(N)c2)C1 ZINC000053205232 173043596 /nfs/dbraw/zinc/04/35/96/173043596.db2.gz DKVCTYZFMBDIHD-AWEZNQCLSA-N 1 0 233.359 1.795 10 0 BDAERO CN1CCC[C@H]([N@H+](C)[C@@H]2CCCCC[C@@H]2O)C1 ZINC000053247913 173043603 /nfs/dbraw/zinc/04/36/03/173043603.db2.gz PGVAQFLUAXNAFV-MJBXVCDLSA-N 1 0 240.391 1.706 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2cncc(Cl)n2)C1 ZINC000043537903 173045713 /nfs/dbraw/zinc/04/57/13/173045713.db2.gz IIQZRRASJWJSFX-QMMMGPOBSA-N 1 0 226.711 1.636 10 0 BDAERO C[N@@H+]1CCC[C@H]1COc1cncc(N)c1 ZINC000026506607 173056677 /nfs/dbraw/zinc/05/66/77/173056677.db2.gz PVGVQIXJYDZBSD-JTQLQIEISA-N 1 0 207.277 1.137 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccccc1C=O ZINC000071189458 173112994 /nfs/dbraw/zinc/11/29/94/173112994.db2.gz LQQAXZPXILLLLM-GFCCVEGCSA-N 1 0 232.327 1.887 10 0 BDAERO CN1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000042546600 173124608 /nfs/dbraw/zinc/12/46/08/173124608.db2.gz UUNNDHNTJBEDTG-GFCCVEGCSA-N 1 0 226.364 1.365 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc(N3CCCC3)nc2)C1 ZINC000061985441 173125249 /nfs/dbraw/zinc/12/52/49/173125249.db2.gz QTLWAYFYRRLNPI-CYBMUJFWSA-N 1 0 246.358 1.798 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc(N)c3ncccc23)C1 ZINC000042545018 173125535 /nfs/dbraw/zinc/12/55/35/173125535.db2.gz OVKHJFKKVKXJPG-SNVBAGLBSA-N 1 0 242.326 1.933 10 0 BDAERO C[N@@H+]1CC[C@@H](n2c(N)[nH+]c3cc(F)ccc32)C1 ZINC000042548509 173128842 /nfs/dbraw/zinc/12/88/42/173128842.db2.gz ZBLJVSTTXOBIMW-SECBINFHSA-N 1 0 234.278 1.634 10 0 BDAERO CN1CC[C@@](CO)([NH2+]C2CCCCCC2)C1 ZINC000061992198 173135312 /nfs/dbraw/zinc/13/53/12/173135312.db2.gz KWRUFGQTEGLVRS-CYBMUJFWSA-N 1 0 226.364 1.365 10 0 BDAERO C[N@@H+]1CC[C@@]12CCN(c1cccnc1)C2 ZINC000038866807 173139694 /nfs/dbraw/zinc/13/96/94/173139694.db2.gz BKEMWAOGDNCUML-LBPRGKRZSA-N 1 0 203.289 1.366 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2cccc(F)c2N)C1 ZINC000037484595 173147771 /nfs/dbraw/zinc/14/77/71/173147771.db2.gz MJXGHFTUUZGOKH-SECBINFHSA-N 1 0 223.295 1.772 10 0 BDAERO C[N@@H+]1CC[C@H](NC(=O)CCc2cccc(N)c2)C1 ZINC000042550066 173150384 /nfs/dbraw/zinc/15/03/84/173150384.db2.gz RBBJLNPEXUZUGI-ZDUSSCGKSA-N 1 0 247.342 1.022 10 0 BDAERO C[N@@H+]1CC[C@](CO)(CCO)[C@@H]1c1ccccc1 ZINC000095828835 173163142 /nfs/dbraw/zinc/16/31/42/173163142.db2.gz NJWCRLHOZPTEBU-UONOGXRCSA-N 1 0 235.327 1.424 10 0 BDAERO C[N@@H+]1CCc2[nH]nc(-c3cccnc3)c2C1 ZINC000082807610 173168689 /nfs/dbraw/zinc/16/86/89/173168689.db2.gz ZDKJWIFZHDUFDC-UHFFFAOYSA-N 1 0 214.272 1.460 10 0 BDAERO CN1CCc2cc(C[C@@H]3CC[NH2+]C3)ccc21 ZINC000070627699 173170310 /nfs/dbraw/zinc/17/03/10/173170310.db2.gz UXFWNMRJEIOTKH-LBPRGKRZSA-N 1 0 216.328 1.831 10 0 BDAERO C[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000043463740 173174387 /nfs/dbraw/zinc/17/43/87/173174387.db2.gz CDEWLUHSOPWERA-UHFFFAOYSA-N 1 0 205.183 1.416 10 0 BDAERO CN1C[C@H]2C[N@H+](Cc3ccccc3)CCN2C1=O ZINC000077266736 173198027 /nfs/dbraw/zinc/19/80/27/173198027.db2.gz DBLOVVOLMBAJEV-ZDUSSCGKSA-N 1 0 245.326 1.238 10 0 BDAERO CNC(=O)CCOc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745435 173261292 /nfs/dbraw/zinc/26/12/92/173261292.db2.gz QZGQQJGVPDEQIE-MRVPVSSYSA-N 1 0 240.278 1.360 10 0 BDAERO CNC(=O)C[N@H+](C)[C@H](C)c1cccc(N)c1 ZINC000040908151 173270931 /nfs/dbraw/zinc/27/09/31/173270931.db2.gz ADMQYIXPJKDFRV-SECBINFHSA-N 1 0 221.304 1.008 10 0 BDAERO CNC(=O)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000037224798 173277913 /nfs/dbraw/zinc/27/79/13/173277913.db2.gz TUICRKNBQFIOSS-LLVKDONJSA-N 1 0 220.316 1.700 10 0 BDAERO CNC(=O)Oc1cc(C)ccc1C[NH+](C)C ZINC000001998797 173293448 /nfs/dbraw/zinc/29/34/48/173293448.db2.gz PTKWBABQEURGBE-UHFFFAOYSA-N 1 0 222.288 1.775 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1COC ZINC000037763082 173295247 /nfs/dbraw/zinc/29/52/47/173295247.db2.gz YWTOAUOVZHMQRQ-SNVBAGLBSA-N 1 0 236.315 1.057 10 0 BDAERO CNC(=O)[C@@H](C)Oc1cccc([C@H](C)[NH2+]C)c1 ZINC000034821951 173296043 /nfs/dbraw/zinc/29/60/43/173296043.db2.gz OPYGWMVXFBVRTD-VHSXEESVSA-N 1 0 236.315 1.480 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000123280368 173302565 /nfs/dbraw/zinc/30/25/65/173302565.db2.gz VPRLQJSBFXLGTP-VIFPVBQESA-N 1 0 246.310 1.965 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000042560254 173302754 /nfs/dbraw/zinc/30/27/54/173302754.db2.gz WQBKMAKJVIDVSL-IUCAKERBSA-N 1 0 222.288 1.177 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@H](COC)c1ccccc1 ZINC000234352109 173303529 /nfs/dbraw/zinc/30/35/29/173303529.db2.gz FNMFCHLPJJXUBA-CMPLNLGQSA-N 1 0 236.315 1.098 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccccc1C[C@H](C)[NH3+] ZINC000037724466 173304214 /nfs/dbraw/zinc/30/42/14/173304214.db2.gz OPYUQVDAKFRXCO-UWVGGRQHSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1N ZINC000042408204 173305970 /nfs/dbraw/zinc/30/59/70/173305970.db2.gz JECSYEIBDOUXSZ-CYBMUJFWSA-N 1 0 247.342 1.369 10 0 BDAERO CNC(=O)c1ccc(C)c(NC2CC[NH2+]CC2)c1 ZINC000038041231 173310608 /nfs/dbraw/zinc/31/06/08/173310608.db2.gz BCDKQTWINVOJEF-UHFFFAOYSA-N 1 0 247.342 1.519 10 0 BDAERO CNC(=O)c1ccc(OC2CC2)cc1C[NH3+] ZINC000095737687 173311290 /nfs/dbraw/zinc/31/12/90/173311290.db2.gz MHVRLRRPIHGWJR-UHFFFAOYSA-N 1 0 220.272 1.046 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccoc1 ZINC000061318799 173317383 /nfs/dbraw/zinc/31/73/83/173317383.db2.gz RHBGDYFKQMQVBH-UHFFFAOYSA-N 1 0 210.277 1.236 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H](C)C(C)C ZINC000061300489 173317493 /nfs/dbraw/zinc/31/74/93/173317493.db2.gz LDJPEFREQUXCSU-SECBINFHSA-N 1 0 200.326 1.487 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000061300774 173318444 /nfs/dbraw/zinc/31/84/44/173318444.db2.gz JWBOXKSEKBJNRC-SECBINFHSA-N 1 0 224.304 1.763 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CC[C@H](C)C[C@H]1C ZINC000061319237 173318525 /nfs/dbraw/zinc/31/85/25/173318525.db2.gz VVESMFAZTJTWOT-VHSXEESVSA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1cccs1 ZINC000061300457 173318759 /nfs/dbraw/zinc/31/87/59/173318759.db2.gz OSMXJUBMSFZMAG-MRVPVSSYSA-N 1 0 226.345 1.923 10 0 BDAERO C[NH2+]C(C)(C)CN1C[C@@H](C)O[C@H](C)C1 ZINC000061319425 173319246 /nfs/dbraw/zinc/31/92/46/173319246.db2.gz BAMQDBVYQXNWCS-NXEZZACHSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+]C(C)(C)CN1CCOCC1(C)C ZINC000061319682 173319564 /nfs/dbraw/zinc/31/95/64/173319564.db2.gz GHULSXJQFFJFKY-UHFFFAOYSA-N 1 0 200.326 1.095 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000061300289 173319782 /nfs/dbraw/zinc/31/97/82/173319782.db2.gz DJEJWWKTEMGEJZ-UHFFFAOYSA-N 1 0 249.314 1.582 10 0 BDAERO C[NH2+]C(C)(C)CN1CCO[C@H]2CCC[C@@H]21 ZINC000061319772 173319818 /nfs/dbraw/zinc/31/98/18/173319818.db2.gz GOJWQONQSHFFLR-QWRGUYRKSA-N 1 0 212.337 1.238 10 0 BDAERO C[NH2+]C1(CCCOc2cccnc2)CC1 ZINC000029127060 173320826 /nfs/dbraw/zinc/32/08/26/173320826.db2.gz RQUMBCGHAHAYKK-UHFFFAOYSA-N 1 0 206.289 1.993 10 0 in-vitro BDAERO C[NH2+]C1CCC(NC(=O)c2ccoc2)CC1 ZINC000036880514 173321942 /nfs/dbraw/zinc/32/19/42/173321942.db2.gz QBXRUBYFBQPUQG-UHFFFAOYSA-N 1 0 222.288 1.540 10 0 BDAERO CNC1=[NH+]C[C@H](c2ccccc2)CN1C ZINC000027750565 173322008 /nfs/dbraw/zinc/32/20/08/173322008.db2.gz QCESLFTUJXAQLE-NSHDSACASA-N 1 0 203.289 1.291 10 0 BDAERO CNC1(c2nc(C)c(C)s2)CC[NH2+]CC1 ZINC000041060634 173322095 /nfs/dbraw/zinc/32/20/95/173322095.db2.gz VKXKFHPXZDNSCY-UHFFFAOYSA-N 1 0 225.361 1.558 10 0 BDAERO C[NH2+]CC(=O)NCCCc1ccc(F)cc1F ZINC000077389953 173328478 /nfs/dbraw/zinc/32/84/78/173328478.db2.gz SJBHOZLGJWFLHB-UHFFFAOYSA-N 1 0 242.269 1.233 10 0 BDAERO C[NH2+]CC(=O)NCCCc1cccs1 ZINC000077305061 173329085 /nfs/dbraw/zinc/32/90/85/173329085.db2.gz LDVFUKBFQUKWJK-UHFFFAOYSA-N 1 0 212.318 1.016 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000037030543 173333588 /nfs/dbraw/zinc/33/35/88/173333588.db2.gz ZSDOGKCVMFVTGX-UHFFFAOYSA-N 1 0 216.643 1.637 10 0 BDAERO C[NH2+]CC(=O)c1cc2cccc(F)c2o1 ZINC000082933610 173337083 /nfs/dbraw/zinc/33/70/83/173337083.db2.gz MAVRULKJIZVTRP-UHFFFAOYSA-N 1 0 207.204 1.974 10 0 BDAERO C[NH2+]CC1(CN2CCO[C@H](C)C2)CCCC1 ZINC000051210492 173337959 /nfs/dbraw/zinc/33/79/59/173337959.db2.gz BRADTVXKQGCWOL-GFCCVEGCSA-N 1 0 226.364 1.487 10 0 BDAERO C[NH2+]CCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000043600168 173339526 /nfs/dbraw/zinc/33/95/26/173339526.db2.gz PITSCGWVUHVGJD-NEPJUHHUSA-N 1 0 224.348 1.777 10 0 BDAERO C[NH2+]CCC(=O)OCc1cc(C)ccc1C ZINC000077332273 173342221 /nfs/dbraw/zinc/34/22/21/173342221.db2.gz DGJUVBMQNADPPP-UHFFFAOYSA-N 1 0 221.300 1.956 10 0 BDAERO C[NH2+]CCCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000038010090 173344336 /nfs/dbraw/zinc/34/43/36/173344336.db2.gz DHPWUHCBJXFKNR-LBPRGKRZSA-N 1 0 248.326 1.106 10 0 BDAERO C[NH2+]CCCN(C1CCCCC1)S(C)(=O)=O ZINC000076634938 173347411 /nfs/dbraw/zinc/34/74/11/173347411.db2.gz FBGYXYCASMWRTE-UHFFFAOYSA-N 1 0 248.392 1.190 10 0 BDAERO C[NH2+]CCCc1ccc(OC)c(OC)c1OC ZINC000095751135 173350263 /nfs/dbraw/zinc/35/02/63/173350263.db2.gz KRSKDZXRYNZLPA-UHFFFAOYSA-N 1 0 239.315 1.864 10 0 BDAERO C[NH2+]CCCc1cc(OC)ccc1OC ZINC000019785252 173350596 /nfs/dbraw/zinc/35/05/96/173350596.db2.gz OVGRDRSTVRKQHU-UHFFFAOYSA-N 1 0 209.289 1.856 10 0 BDAERO C[NH2+]CCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000035412231 173351025 /nfs/dbraw/zinc/35/10/25/173351025.db2.gz GXMODEZFCVRZSE-UHFFFAOYSA-N 1 0 225.242 1.993 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc(F)c(F)c1 ZINC000077342266 173352545 /nfs/dbraw/zinc/35/25/45/173352545.db2.gz BWYIJTQCWLRYLM-UHFFFAOYSA-N 1 0 228.286 1.659 10 0 BDAERO C[NH2+]CCN1CC[C@H](c2ccccc2)C1 ZINC000050599002 173354356 /nfs/dbraw/zinc/35/43/56/173354356.db2.gz YHMQMJNBJBRKFU-ZDUSSCGKSA-N 1 0 204.317 1.695 10 0 BDAERO C[NH2+]CC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052948947 173358988 /nfs/dbraw/zinc/35/89/88/173358988.db2.gz YZORIHQTQIKSAK-VIFPVBQESA-N 1 0 225.313 1.167 10 0 BDAERO C[NH2+]CCc1c[nH]c2ccc(OC)cc12 ZINC000002039001 173359984 /nfs/dbraw/zinc/35/99/84/173359984.db2.gz NFDDCRIHMZGWBP-UHFFFAOYSA-N 1 0 204.273 1.938 10 0 in-vitro BDAERO C[NH2+]CCc1noc(-c2cccs2)n1 ZINC000051850756 173362257 /nfs/dbraw/zinc/36/22/57/173362257.db2.gz KZAOIGNHCNTHFP-UHFFFAOYSA-N 1 0 209.274 1.560 10 0 BDAERO C[NH2+]C[C@@H](C)Cn1ncc2ccccc21 ZINC000052574319 173364026 /nfs/dbraw/zinc/36/40/26/173364026.db2.gz QUBGJGRGVXMWPN-SNVBAGLBSA-N 1 0 203.289 1.892 10 0 BDAERO C[NH2+]C[C@@H](O)CN1c2ccccc2C[C@@H]1C ZINC000019685174 173364635 /nfs/dbraw/zinc/36/46/35/173364635.db2.gz ZHHZMYOWVJTKTN-CMPLNLGQSA-N 1 0 220.316 1.018 10 0 BDAERO C[NH2+]C[C@@H](O)CN1CCc2sccc2[C@H]1C ZINC000042747035 173364935 /nfs/dbraw/zinc/36/49/35/173364935.db2.gz IWOMURIBLODSLD-NXEZZACHSA-N 1 0 240.372 1.248 10 0 BDAERO C[NH2+]C[C@@H](C)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052953617 173365231 /nfs/dbraw/zinc/36/52/31/173365231.db2.gz UWOJIFBJLLGBKY-KOLCDFICSA-N 1 0 239.340 1.413 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1ccc(Br)cc1 ZINC000041289844 173365422 /nfs/dbraw/zinc/36/54/22/173365422.db2.gz IZUDRHGMUUSSCY-JTQLQIEISA-N 1 0 244.132 1.572 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1nc2ccccc2o1 ZINC000019865326 173365581 /nfs/dbraw/zinc/36/55/81/173365581.db2.gz ULOLKLIYNUIAEX-MRVPVSSYSA-N 1 0 238.312 1.500 10 0 BDAERO C[NH2+]C[C@@H](c1cc(OC)ccc1OC)N(C)C ZINC000019862143 173366931 /nfs/dbraw/zinc/36/69/31/173366931.db2.gz NRSCWLMPGJFJEI-LBPRGKRZSA-N 1 0 238.331 1.526 10 0 BDAERO C[NH2+]C[C@@H]1CC[C@@H](Cn2cnc(C)c2C)O1 ZINC000052593689 173371924 /nfs/dbraw/zinc/37/19/24/173371924.db2.gz HIQAXJUQAXXJAQ-RYUDHWBXSA-N 1 0 223.320 1.267 10 0 BDAERO C[NH2+]C[C@@H]1CC[C@@H](COc2ccccc2F)O1 ZINC000052663889 173371958 /nfs/dbraw/zinc/37/19/58/173371958.db2.gz MMSBOQBAYXRZBM-QWRGUYRKSA-N 1 0 239.290 1.972 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1cc(F)cc(F)c1 ZINC000071508196 173372565 /nfs/dbraw/zinc/37/25/65/173372565.db2.gz UXMDPAXICRZCEW-SNVBAGLBSA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+]C[C@H](C)CN1Cc2ccccc2C1 ZINC000052374277 173375334 /nfs/dbraw/zinc/37/53/34/173375334.db2.gz KEJWYBAIAGCGJW-NSHDSACASA-N 1 0 204.317 1.858 10 0 BDAERO C[NH2+]C[C@H](C)CN1C[C@@H](C)OC(C)(C)C1 ZINC000052543403 173375682 /nfs/dbraw/zinc/37/56/82/173375682.db2.gz DTMYHOCCMBCDHW-WDEREUQCSA-N 1 0 214.353 1.341 10 0 BDAERO C[NH2+]C[C@H](C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052953619 173375924 /nfs/dbraw/zinc/37/59/24/173375924.db2.gz UWOJIFBJLLGBKY-GXSJLCMTSA-N 1 0 239.340 1.413 10 0 BDAERO C[NH2+]C[C@H](O)CN(C)c1ccc(C(C)C)cc1 ZINC000077373140 173375946 /nfs/dbraw/zinc/37/59/46/173375946.db2.gz PRPLSBJEHBWOFD-AWEZNQCLSA-N 1 0 236.359 1.827 10 0 BDAERO C[NH2+]C[C@H](C)Oc1cc(F)cc(F)c1 ZINC000054934666 173376261 /nfs/dbraw/zinc/37/62/61/173376261.db2.gz WFNWLKYKFYMUTE-ZETCQYMHSA-N 1 0 201.216 1.952 10 0 BDAERO C[NH2+]C[C@H](O)c1cc(C)c(OC)cc1C ZINC000041218671 173376989 /nfs/dbraw/zinc/37/69/89/173376989.db2.gz UZJCQXBUIKWNBA-NSHDSACASA-N 1 0 209.289 1.565 10 0 BDAERO C[NH2+]C[C@H](O)c1csc(C(C)(C)C)n1 ZINC000083298815 173377103 /nfs/dbraw/zinc/37/71/03/173377103.db2.gz AGAOQJSTHVBDJL-QMMMGPOBSA-N 1 0 214.334 1.693 10 0 BDAERO C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000032015859 173377126 /nfs/dbraw/zinc/37/71/26/173377126.db2.gz ZSHMDPGVNLYOSQ-VIFPVBQESA-N 1 0 230.105 1.702 10 0 BDAERO C[NH2+]C[C@H](c1ccccc1)n1ccnc1 ZINC000052575543 173377767 /nfs/dbraw/zinc/37/77/67/173377767.db2.gz MHXOALQZQPNYQB-GFCCVEGCSA-N 1 0 201.273 1.692 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N1CCC(C)CC1 ZINC000034822985 173383692 /nfs/dbraw/zinc/38/36/92/173383692.db2.gz YQVRUKIEWUXXDT-UHFFFAOYSA-N 1 0 236.363 1.684 10 0 BDAERO C[NH2+]Cc1c(-n2cccn2)nc2ccccn21 ZINC000035449718 173384060 /nfs/dbraw/zinc/38/40/60/173384060.db2.gz QFUOHJXHPBSTNT-UHFFFAOYSA-N 1 0 227.271 1.239 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N(C)Cc1ccco1 ZINC000035716342 173384045 /nfs/dbraw/zinc/38/40/45/173384045.db2.gz AQJDGPXITCJOJE-UHFFFAOYSA-N 1 0 248.330 1.677 10 0 BDAERO C[NH2+]Cc1c(C)nc(C[C@@H]2CCCO2)nc1C ZINC000054854042 173384150 /nfs/dbraw/zinc/38/41/50/173384150.db2.gz WVZZIQSUTQQMRL-NSHDSACASA-N 1 0 235.331 1.534 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N(C)[C@@H](C)C(C)C ZINC000036787898 173384157 /nfs/dbraw/zinc/38/41/57/173384157.db2.gz HFUOKFOIHSYFCX-NSHDSACASA-N 1 0 238.379 1.929 10 0 BDAERO C[NH2+]Cc1c(C)nn(C[C@H]2CCCO2)c1C ZINC000053338488 173385453 /nfs/dbraw/zinc/38/54/53/173385453.db2.gz HYNSGPNYPZHOJP-LLVKDONJSA-N 1 0 223.320 1.398 10 0 BDAERO C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000036804306 173386007 /nfs/dbraw/zinc/38/60/07/173386007.db2.gz LZQCNRXSMONCRO-UHFFFAOYSA-N 1 0 244.088 1.897 10 0 BDAERO C[NH2+]Cc1cc(C)ccc1OCc1noc(C)n1 ZINC000071403545 173386436 /nfs/dbraw/zinc/38/64/36/173386436.db2.gz JYYRJDLGCOZHCK-UHFFFAOYSA-N 1 0 247.298 1.985 10 0 BDAERO C[NH2+]Cc1cc(N(C)[C@H]2CCSC2)ccn1 ZINC000051442139 173386633 /nfs/dbraw/zinc/38/66/33/173386633.db2.gz LWNDHFQBSWBPAB-LBPRGKRZSA-N 1 0 237.372 1.743 10 0 BDAERO C[NH2+]Cc1cc(O)ccc1Br ZINC000083348490 173387225 /nfs/dbraw/zinc/38/72/25/173387225.db2.gz MHGIDUFKABJURD-UHFFFAOYSA-N 1 0 216.078 1.874 10 0 BDAERO C[NH2+]Cc1cc(N2CCCO[C@@H](C)C2)ccn1 ZINC000061935265 173387603 /nfs/dbraw/zinc/38/76/03/173387603.db2.gz SYCYFBJRQPBSPT-NSHDSACASA-N 1 0 235.331 1.416 10 0 BDAERO C[NH2+]Cc1ccc(OC[C@H]2CCCCO2)nc1 ZINC000051524527 173388646 /nfs/dbraw/zinc/38/86/46/173388646.db2.gz KFKNIKLEFAKUBL-GFCCVEGCSA-N 1 0 236.315 1.749 10 0 BDAERO C[NH2+]Cc1ccc(OCc2nnc(C)n2C)cc1 ZINC000035696574 173388808 /nfs/dbraw/zinc/38/88/08/173388808.db2.gz IUBXUZFOPIQBAQ-UHFFFAOYSA-N 1 0 246.314 1.422 10 0 BDAERO C[NH2+]Cc1ccc(N2CC[C@@H](C)C2)nn1 ZINC000051448471 173388855 /nfs/dbraw/zinc/38/88/55/173388855.db2.gz KBUXLBJGFGFZPB-SECBINFHSA-N 1 0 206.293 1.042 10 0 BDAERO C[NH2+]Cc1ccc(OCC[N@H+](C)C2CC2)cc1 ZINC000052445391 173389143 /nfs/dbraw/zinc/38/91/43/173389143.db2.gz HHXWPFXWVATJSM-UHFFFAOYSA-N 1 0 234.343 1.879 10 0 BDAERO C[NH2+]Cc1ccccc1O[C@@H]1CCC[C@H]1O ZINC000037702410 173390206 /nfs/dbraw/zinc/39/02/06/173390206.db2.gz UAZZJMBTZHNSLG-DGCLKSJQSA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1cccnc1-n1cc(C)cn1 ZINC000051492008 173390455 /nfs/dbraw/zinc/39/04/55/173390455.db2.gz ISHXVPQEVFYJQC-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1ccccc1O[C@@H]1CCCCNC1=O ZINC000034658432 173390773 /nfs/dbraw/zinc/39/07/73/173390773.db2.gz QFMXECXVUKQTTB-CYBMUJFWSA-N 1 0 248.326 1.454 10 0 BDAERO C[NH2+]Cc1ccccc1Cn1cc(C)cn1 ZINC000052577009 173390818 /nfs/dbraw/zinc/39/08/18/173390818.db2.gz SQACHMUUXZMTOT-UHFFFAOYSA-N 1 0 215.300 1.959 10 0 BDAERO C[NH2+]Cc1ccccc1O[C@@H](C)C(=O)NC1CC1 ZINC000034658290 173390856 /nfs/dbraw/zinc/39/08/56/173390856.db2.gz RHXGGVJCVBOPAA-JTQLQIEISA-N 1 0 248.326 1.452 10 0 BDAERO C[NH2+]Cc1cccnc1N(C)Cc1ccccn1 ZINC000051445287 173391402 /nfs/dbraw/zinc/39/14/02/173391402.db2.gz IZEFEJWMDZSNHJ-UHFFFAOYSA-N 1 0 242.326 1.832 10 0 BDAERO C[NH2+]Cc1ccnc(-n2cc(Cl)cn2)c1 ZINC000051492561 173391502 /nfs/dbraw/zinc/39/15/02/173391502.db2.gz KAJDWKVVJOGORN-UHFFFAOYSA-N 1 0 222.679 1.640 10 0 BDAERO C[NH2+]Cc1cccnc1OC[C@@H]1CCCCO1 ZINC000051524367 173391586 /nfs/dbraw/zinc/39/15/86/173391586.db2.gz SAYJTGYUADUOOP-LBPRGKRZSA-N 1 0 236.315 1.749 10 0 BDAERO C[NH2+]Cc1ccnc(N2CC[C@H](C)C2)c1 ZINC000051448327 173391608 /nfs/dbraw/zinc/39/16/08/173391608.db2.gz SDCPKBNKMORXKZ-JTQLQIEISA-N 1 0 205.305 1.647 10 0 BDAERO C[NH2+]Cc1cccnc1N(C)Cc1ccncc1 ZINC000051446560 173391863 /nfs/dbraw/zinc/39/18/63/173391863.db2.gz XFUDUEPEQKNHJI-UHFFFAOYSA-N 1 0 242.326 1.832 10 0 BDAERO C[NH2+]Cc1cnc(-c2ccccn2)nc1 ZINC000054855456 173392228 /nfs/dbraw/zinc/39/22/28/173392228.db2.gz NXOFFJKRNAHRAS-UHFFFAOYSA-N 1 0 200.245 1.258 10 0 BDAERO C[NH2+]Cc1nc(CN2CC[C@H](C)C2)cs1 ZINC000052484257 173394443 /nfs/dbraw/zinc/39/44/43/173394443.db2.gz NSDFFNMLJORVLU-VIFPVBQESA-N 1 0 225.361 1.704 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H](C)c1ccc(C)s1 ZINC000054748112 173398242 /nfs/dbraw/zinc/39/82/42/173398242.db2.gz SRHPLLDAFYXGRN-QMMMGPOBSA-N 1 0 237.332 1.372 10 0 BDAERO C[NH2+]Cc1nnnn1C1CCC(C)CC1 ZINC000054746026 173398428 /nfs/dbraw/zinc/39/84/28/173398428.db2.gz XQXYSGMDPWEIGO-UHFFFAOYSA-N 1 0 209.297 1.144 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C ZINC000054745561 173398441 /nfs/dbraw/zinc/39/84/41/173398441.db2.gz KGXJPSADFOVBJI-UHFFFAOYSA-N 1 0 237.694 1.344 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H](C)c1ccccc1F ZINC000054747191 173398843 /nfs/dbraw/zinc/39/88/43/173398843.db2.gz YPLZZQZKBNKSOZ-MRVPVSSYSA-N 1 0 235.266 1.141 10 0 BDAERO C[NH2+][C@@H](C)c1ccccc1NC(=O)CCOC ZINC000053731080 173419488 /nfs/dbraw/zinc/41/94/88/173419488.db2.gz OQRYQSATZKUFJM-JTQLQIEISA-N 1 0 236.315 1.942 10 0 BDAERO C[NH2+][C@@H](C)c1cnc([C@@H]2CCOC2)s1 ZINC000054160116 173419945 /nfs/dbraw/zinc/41/99/45/173419945.db2.gz HIJXGWPYAYKNIZ-JGVFFNPUSA-N 1 0 212.318 1.927 10 0 BDAERO C[NH2+][C@@H](CO)COc1ccc(C(C)(C)C)cc1 ZINC000071548432 173423626 /nfs/dbraw/zinc/42/36/26/173423626.db2.gz KRSARQJYBYYSRD-LBPRGKRZSA-N 1 0 237.343 1.943 10 0 BDAERO C[NH2+][C@@H](Cc1ccncc1)c1cnn(C)c1 ZINC000053135401 173425769 /nfs/dbraw/zinc/42/57/69/173425769.db2.gz YVQAGHCAPXCYFE-LBPRGKRZSA-N 1 0 216.288 1.318 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1Oc1cccc(F)c1 ZINC000044056802 173437453 /nfs/dbraw/zinc/43/74/53/173437453.db2.gz IZFFKJGLFRSXJL-NEPJUHHUSA-N 1 0 225.263 1.581 10 0 BDAERO C[NH2+][C@@H]1CCc2c(OC)ccc(OC)c2C1 ZINC000028243200 173438248 /nfs/dbraw/zinc/43/82/48/173438248.db2.gz GIPVFDIXAOJKFQ-SECBINFHSA-N 1 0 221.300 1.781 10 0 BDAERO C[NH2+][C@@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976343 173438713 /nfs/dbraw/zinc/43/87/13/173438713.db2.gz PZHHNGUHASSHMK-OTYXRUKQSA-N 1 0 213.277 1.598 10 0 BDAERO C[NH2+][C@H](CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000043300726 173450816 /nfs/dbraw/zinc/45/08/16/173450816.db2.gz BSOHZOLJMTVTKP-NXEZZACHSA-N 1 0 219.350 1.055 10 0 BDAERO C[NH2+][C@H]1c2cccc(F)c2S(=O)(=O)C[C@H]1C ZINC000035762819 173468971 /nfs/dbraw/zinc/46/89/71/173468971.db2.gz JQCJKVWYQGCKKR-GMSGAONNSA-N 1 0 243.303 1.510 10 0 BDAERO COC(=O)CC[C@@H]([NH3+])Cc1c(F)cccc1F ZINC000061893125 173565938 /nfs/dbraw/zinc/56/59/38/173565938.db2.gz QUJTWYAZKZRTTQ-MRVPVSSYSA-N 1 0 243.253 1.788 10 0 BDAERO COC(=O)[C@@H](C)C[NH2+][C@H](C)CCc1ccco1 ZINC000049566385 173674323 /nfs/dbraw/zinc/67/43/23/173674323.db2.gz SVCCEWBOHKQVQE-WDEREUQCSA-N 1 0 239.315 1.999 10 0 BDAERO COC(=O)c1ccc(COCCC[NH3+])cc1 ZINC000074494375 173879016 /nfs/dbraw/zinc/87/90/16/173879016.db2.gz JTJGJUNSDZFVKI-UHFFFAOYSA-N 1 0 223.272 1.339 10 0 BDAERO COC1CC[NH+](C[C@@H](N)C(C)(C)C)CC1 ZINC000037266045 174028875 /nfs/dbraw/zinc/02/88/75/174028875.db2.gz CLTRYWWBXGCUCM-LLVKDONJSA-N 1 0 214.353 1.471 10 0 BDAERO COC1CC[NH+]([C@@H]2CCCCC[C@@H]2N)CC1 ZINC000037266037 174029515 /nfs/dbraw/zinc/02/95/15/174029515.db2.gz BDNAGMXYPLXNQP-QWHCGFSZSA-N 1 0 226.364 1.757 10 0 BDAERO COC1CCN([C@@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000037265866 174029566 /nfs/dbraw/zinc/02/95/66/174029566.db2.gz VPXXSFXVYSPSSG-LBPRGKRZSA-N 1 0 238.331 1.699 10 0 BDAERO COCCCN(C)c1ccc(CC[NH3+])cc1C ZINC000104278135 174220354 /nfs/dbraw/zinc/22/03/54/174220354.db2.gz XSKZGFKMKHXTNH-UHFFFAOYSA-N 1 0 236.359 1.969 10 0 BDAERO COCCC[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009937 174247185 /nfs/dbraw/zinc/24/71/85/174247185.db2.gz RLZPTGOEIYVHJZ-GFCCVEGCSA-N 1 0 221.300 1.616 10 0 BDAERO COCCCOC[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052597838 174255127 /nfs/dbraw/zinc/25/51/27/174255127.db2.gz INRMUKALSOXXFS-STQMWFEESA-N 1 0 245.363 1.585 10 0 BDAERO COCCC[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309057355 174260156 /nfs/dbraw/zinc/26/01/56/174260156.db2.gz VARBAKHCZKZGMO-GHMZBOCLSA-N 1 0 217.353 1.798 10 0 BDAERO COCCN(C(=[NH2+])NCC(C)C)[C@@H](C)C1CC1 ZINC000052039814 174267558 /nfs/dbraw/zinc/26/75/58/174267558.db2.gz LMMAXGVTCWSJCK-NSHDSACASA-N 1 0 241.379 1.914 10 0 BDAERO COCCN(C(=O)C[NH2+]C(C)C)[C@@H](C)C1CC1 ZINC000037814777 174268181 /nfs/dbraw/zinc/26/81/81/174268181.db2.gz HHDOYILHZXLMCS-NSHDSACASA-N 1 0 242.363 1.258 10 0 BDAERO COCCN(C)c1cccc(C[NH2+]C(C)C)n1 ZINC000051519483 174284181 /nfs/dbraw/zinc/28/41/81/174284181.db2.gz QWCUWBRMCYLOTN-UHFFFAOYSA-N 1 0 237.347 1.662 10 0 BDAERO COCCN(CC(C)C)[C@@H](C[NH3+])c1ccco1 ZINC000042368586 174287740 /nfs/dbraw/zinc/28/77/40/174287740.db2.gz KKFRSPJACHVNKZ-LBPRGKRZSA-N 1 0 240.347 1.884 10 0 BDAERO COCC[N@H+](CCCC(=O)OC)[C@@H](C)C1CC1 ZINC000042680336 174291285 /nfs/dbraw/zinc/29/12/85/174291285.db2.gz CPALRIRLVALYCN-NSHDSACASA-N 1 0 243.347 1.687 10 0 BDAERO COCCN(C[C@@H]([NH3+])CC(C)C)[C@@H](C)COC ZINC000042610882 174297876 /nfs/dbraw/zinc/29/78/76/174297876.db2.gz PCQSRSVLTYWFLW-STQMWFEESA-N 1 0 246.395 1.343 10 0 BDAERO COCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886687 174304478 /nfs/dbraw/zinc/30/44/78/174304478.db2.gz SBVDEGZYKKVUJK-UHFFFAOYSA-N 1 0 223.320 1.242 10 0 BDAERO COCCN1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000062617286 174306809 /nfs/dbraw/zinc/30/68/09/174306809.db2.gz FEBOJKKIQXVMNP-CQSZACIVSA-N 1 0 234.343 1.669 10 0 BDAERO COCCN1C[C@@H](C)[NH2+]Cc2ccccc21 ZINC000062610246 174316839 /nfs/dbraw/zinc/31/68/39/174316839.db2.gz IXDQORDMZZCZHW-LLVKDONJSA-N 1 0 220.316 1.631 10 0 BDAERO COCCNC(=O)C[NH2+]CCC1CCCCC1 ZINC000049278221 174321555 /nfs/dbraw/zinc/32/15/55/174321555.db2.gz SSTZQWMVTBOXMF-UHFFFAOYSA-N 1 0 242.363 1.309 10 0 BDAERO COCC[NH2+]CCCc1ccc(F)cc1 ZINC000041225598 174332494 /nfs/dbraw/zinc/33/24/94/174332494.db2.gz PMGYHYXXHZTBFT-UHFFFAOYSA-N 1 0 211.280 1.994 10 0 BDAERO COCC[NH2+]CCOCc1ccc(OC)cc1 ZINC000053585577 174333373 /nfs/dbraw/zinc/33/33/73/174333373.db2.gz ZDIJBFDNOODAJK-UHFFFAOYSA-N 1 0 239.315 1.448 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1ccc(OC)c(C)c1 ZINC000049829733 174334021 /nfs/dbraw/zinc/33/40/21/174334021.db2.gz KZKFBCOVSRLEQQ-GFCCVEGCSA-N 1 0 239.315 1.273 10 0 BDAERO COCC[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000053302871 174334025 /nfs/dbraw/zinc/33/40/25/174334025.db2.gz RALMVNAGZVJGPN-UHFFFAOYSA-N 1 0 245.326 1.651 10 0 BDAERO COCC[NH2+]C[C@H](C)N(C)Cc1cccnc1 ZINC000053491457 174334915 /nfs/dbraw/zinc/33/49/15/174334915.db2.gz YEBBTHLJCOJLKL-LBPRGKRZSA-N 1 0 237.347 1.138 10 0 BDAERO COCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671094 174339258 /nfs/dbraw/zinc/33/92/58/174339258.db2.gz QBAXHNWYNFGXQB-OAHLLOKOSA-N 1 0 248.370 1.539 10 0 BDAERO COCCOCc1ccc(C[NH3+])cc1F ZINC000019273482 174364541 /nfs/dbraw/zinc/36/45/41/174364541.db2.gz BFHMQJPMZDNVLT-UHFFFAOYSA-N 1 0 213.252 1.447 10 0 BDAERO COCCOc1cccc(F)c1C(N)=[NH2+] ZINC000036307563 174370058 /nfs/dbraw/zinc/37/00/58/174370058.db2.gz PDRQRMFOMXRWHZ-UHFFFAOYSA-N 1 0 212.224 1.135 10 0 BDAERO COc1cc(OC)c(OC)c2c1C[C@@H](C)[C@H]2[NH3+] ZINC000041278591 175007453 /nfs/dbraw/zinc/00/74/53/175007453.db2.gz OSVHCRLKOGQMNV-JMCQJSRRSA-N 1 0 237.299 1.904 10 0 BDAERO COc1cc(OC)c([C@H](C[NH3+])OC)c(OC)c1 ZINC000096890775 175007827 /nfs/dbraw/zinc/00/78/27/175007827.db2.gz QHYROAOJWNNCBW-NSHDSACASA-N 1 0 241.287 1.359 10 0 BDAERO COc1cc(OC)c([C@H](O)[C@H](C)[NH3+])c(OC)c1 ZINC000037376587 175008279 /nfs/dbraw/zinc/00/82/79/175008279.db2.gz QXYNTIYYQANHBR-JVXZTZIISA-N 1 0 241.287 1.093 10 0 BDAERO COc1cc(OC)cc(OC[C@H]2CCC[NH2+]2)c1 ZINC000070141717 175010217 /nfs/dbraw/zinc/01/02/17/175010217.db2.gz LFKOZJRQHPYZBT-SNVBAGLBSA-N 1 0 237.299 1.835 10 0 BDAERO COc1cc(OC)cc(O[C@H](C)CC[NH3+])c1 ZINC000041245791 175010420 /nfs/dbraw/zinc/01/04/20/175010420.db2.gz AAXNHYUVLIKUOK-SECBINFHSA-N 1 0 225.288 1.820 10 0 BDAERO COc1cc(OC)cc([C@@H](O)[C@H](C)[NH3+])c1 ZINC000020216970 175010845 /nfs/dbraw/zinc/01/08/45/175010845.db2.gz MYXXJIQFBCNQJU-CPCISQLKSA-N 1 0 211.261 1.084 10 0 BDAERO COc1cc([C@H](O)C[NH3+])c(OC)cc1C ZINC000037627755 175016747 /nfs/dbraw/zinc/01/67/47/175016747.db2.gz WCURBUJUIMRCCJ-SECBINFHSA-N 1 0 211.261 1.004 10 0 BDAERO COc1cc2c(NN)[nH+]ccc2c(OC)c1OC ZINC000036258118 175019280 /nfs/dbraw/zinc/01/92/80/175019280.db2.gz XUNXCRWFJQCLNH-UHFFFAOYSA-N 1 0 249.270 1.546 10 0 BDAERO COc1cc2c(c(OC)c1)CC[C@H]([NH3+])C2 ZINC000057938577 175019899 /nfs/dbraw/zinc/01/98/99/175019899.db2.gz FYLALVXQAHKDPE-VIFPVBQESA-N 1 0 207.273 1.520 10 0 BDAERO COc1cc2c(c(OC)c1OC)C(=O)C[C@@H]2[NH3+] ZINC000001650439 175020719 /nfs/dbraw/zinc/02/07/19/175020719.db2.gz IEARZMCWBPLDRM-ZETCQYMHSA-N 1 0 237.255 1.299 10 0 BDAERO COc1cc2cc[nH+]c(N)c2cc1OC ZINC000071482605 175027328 /nfs/dbraw/zinc/02/73/28/175027328.db2.gz XRMSXFNTWYLNIY-UHFFFAOYSA-N 1 0 204.229 1.834 10 0 BDAERO COc1cc2[nH+]c(N(C)C)cc(N)c2cc1OC ZINC000025984635 175028369 /nfs/dbraw/zinc/02/83/69/175028369.db2.gz KWXFPNUPJYHRHU-UHFFFAOYSA-N 1 0 247.298 1.900 10 0 BDAERO COc1ccc(-c2c[nH]c(N)[nH+]2)cc1F ZINC000036158147 175030191 /nfs/dbraw/zinc/03/01/91/175030191.db2.gz CISJEJHOXXHRHY-UHFFFAOYSA-N 1 0 207.208 1.807 10 0 BDAERO COc1ccc(-c2cc(C)[nH+]c(NN)n2)cc1 ZINC000062203200 175030700 /nfs/dbraw/zinc/03/07/00/175030700.db2.gz QNAWGWCXRMJLEG-UHFFFAOYSA-N 1 0 230.271 1.746 10 0 BDAERO COc1ccc(-c2cnc(CC[NH3+])o2)cc1F ZINC000036163677 175036028 /nfs/dbraw/zinc/03/60/28/175036028.db2.gz BGRKOHYUBLBZEE-UHFFFAOYSA-N 1 0 236.246 1.991 10 0 BDAERO COc1ccc(-c2nc(C[NH3+])c[nH]2)cc1 ZINC000062820816 175039126 /nfs/dbraw/zinc/03/91/26/175039126.db2.gz QOFPWQLHGYOREM-UHFFFAOYSA-N 1 0 203.245 1.544 10 0 BDAERO COc1ccc(-c2nc(C[NH3+])co2)c(OC)c1 ZINC000082547375 175039988 /nfs/dbraw/zinc/03/99/88/175039988.db2.gz LJCLHJIOUUGMOV-UHFFFAOYSA-N 1 0 234.255 1.818 10 0 BDAERO COc1ccc(C(=O)N(C)C[C@@H](C)C[NH3+])cc1 ZINC000042454912 175055186 /nfs/dbraw/zinc/05/51/86/175055186.db2.gz GATUPMPVTOQQKY-JTQLQIEISA-N 1 0 236.315 1.362 10 0 BDAERO COc1ccc(C)cc1C(=O)NC[C@H](C)C[NH3+] ZINC000054140197 175073422 /nfs/dbraw/zinc/07/34/22/175073422.db2.gz AEQGQFTZDUHVNT-SNVBAGLBSA-N 1 0 236.315 1.328 10 0 BDAERO COc1ccc(C)cc1C[C@H]([NH3+])c1nccn1C ZINC000096984307 175076596 /nfs/dbraw/zinc/07/65/96/175076596.db2.gz IUDRTYQRLSHTFW-LBPRGKRZSA-N 1 0 245.326 1.980 10 0 BDAERO COc1ccc(C)cc1N1CC[C@@H]([NH3+])C1 ZINC000037240784 175076807 /nfs/dbraw/zinc/07/68/07/175076807.db2.gz ZIYYZKXMRWQJPL-SNVBAGLBSA-N 1 0 206.289 1.541 10 0 BDAERO COc1ccc(C)cc1NC(=O)[C@@H](C)CC[NH3+] ZINC000076619034 175077983 /nfs/dbraw/zinc/07/79/83/175077983.db2.gz XWSRVFDYPXTXPX-JTQLQIEISA-N 1 0 236.315 1.927 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC1(C)CCC1 ZINC000225812509 487629629 /nfs/dbraw/zinc/62/96/29/487629629.db2.gz LGFGKBHFFZRPFL-SNVBAGLBSA-N 1 0 212.337 1.666 10 0 BDAERO COc1ccc(C)cc1[C@@H]([NH3+])[C@H]1COCCO1 ZINC000055300871 175080127 /nfs/dbraw/zinc/08/01/27/175080127.db2.gz CYJXJMGKTXDINX-CHWSQXEVSA-N 1 0 237.299 1.419 10 0 BDAERO COc1ccc(CC[N@H+](C)CC2CC(O)C2)cc1 ZINC000091499136 175089695 /nfs/dbraw/zinc/08/96/95/175089695.db2.gz ZRUHHJZLHCFOIV-UHFFFAOYSA-N 1 0 249.354 1.940 10 0 BDAERO COc1ccc(CC[NH2+]C2CC2)cc1NC(C)=O ZINC000098128409 175092018 /nfs/dbraw/zinc/09/20/18/175092018.db2.gz QKXMEOGDUFKCBA-UHFFFAOYSA-N 1 0 248.326 1.948 10 0 BDAERO COc1ccc(CC[C@H](O)C2CC[NH2+]CC2)cc1 ZINC000071570604 175094103 /nfs/dbraw/zinc/09/41/03/175094103.db2.gz CCUNBNPKZBDDPC-HNNXBMFYSA-N 1 0 249.354 1.988 10 0 BDAERO COc1ccc(COC(=O)CC[NH3+])cc1F ZINC000049820663 175113086 /nfs/dbraw/zinc/11/30/86/175113086.db2.gz VBZVACMAXHXMFW-UHFFFAOYSA-N 1 0 227.235 1.226 10 0 BDAERO COc1ccc(F)cc1[C@@H](O)[C@H]([NH3+])C(C)C ZINC000071533177 175133751 /nfs/dbraw/zinc/13/37/51/175133751.db2.gz YOANPAJBXWSNJD-VXGBXAGGSA-N 1 0 227.279 1.851 10 0 BDAERO COc1ccc(NC(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000063170797 175143092 /nfs/dbraw/zinc/14/30/92/175143092.db2.gz MTQQHOWDRXXUCF-SECBINFHSA-N 1 0 237.303 1.554 10 0 BDAERO COc1ccc(NC2CC[NH2+]CC2)cc1OC ZINC000038040533 175150005 /nfs/dbraw/zinc/15/00/05/175150005.db2.gz ASXNSAKTOPWZDH-UHFFFAOYSA-N 1 0 236.315 1.868 10 0 BDAERO COc1ccc(N[C@@H]2CC[N@H+](C)C2)cn1 ZINC000061984472 175153976 /nfs/dbraw/zinc/15/39/76/175153976.db2.gz FDADQMRKZVRDKG-SNVBAGLBSA-N 1 0 207.277 1.206 10 0 BDAERO COc1ccc(N[C@H]2CC[N@H+](C)C2)cc1 ZINC000061984693 175155476 /nfs/dbraw/zinc/15/54/76/175155476.db2.gz AOCKYVMLXFUMNT-NSHDSACASA-N 1 0 206.289 1.811 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)C1CCOCC1 ZINC000225812420 487629971 /nfs/dbraw/zinc/62/99/71/487629971.db2.gz DIZLJANMQFRYPT-JQWIXIFHSA-N 1 0 242.363 1.291 10 0 BDAERO COc1ccc(OC)c(C[C@H](C)C[NH3+])c1 ZINC000011975137 175166282 /nfs/dbraw/zinc/16/62/82/175166282.db2.gz OAZSZDXDAMOVSG-VIFPVBQESA-N 1 0 209.289 1.841 10 0 BDAERO COc1ccc(OC)c(C[C@@H](C)C[NH3+])c1 ZINC000011975130 175166632 /nfs/dbraw/zinc/16/66/32/175166632.db2.gz OAZSZDXDAMOVSG-SECBINFHSA-N 1 0 209.289 1.841 10 0 BDAERO COc1ccc(OC)c([C@@]2(C)C[C@H]2[NH3+])c1 ZINC000052126468 175167654 /nfs/dbraw/zinc/16/76/54/175167654.db2.gz SNDBIENVFBWYMZ-VXGBXAGGSA-N 1 0 207.273 1.693 10 0 BDAERO COc1ccc(OC)c([C@H](O)CC[NH+](C)C)c1 ZINC000041629446 175168944 /nfs/dbraw/zinc/16/89/44/175168944.db2.gz VXTLZRWWTUGFKY-GFCCVEGCSA-N 1 0 239.315 1.689 10 0 BDAERO COc1ccc(OCCC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000041303419 175171681 /nfs/dbraw/zinc/17/16/81/175171681.db2.gz XZGLLWHGTJWLFB-ZDUSSCGKSA-N 1 0 249.310 1.785 10 0 BDAERO COc1ccc([C@@H](C[NH3+])NC2CC2)c(OC)c1 ZINC000050271163 175178334 /nfs/dbraw/zinc/17/83/34/175178334.db2.gz HCNWLCOBNMHQRG-GFCCVEGCSA-N 1 0 236.315 1.456 10 0 BDAERO COc1ccc([C@@H](C[NH3+])n2ccnc2)cc1 ZINC000042962227 175178773 /nfs/dbraw/zinc/17/87/73/175178773.db2.gz YEWVGOVQRDMMCA-GFCCVEGCSA-N 1 0 217.272 1.440 10 0 BDAERO COc1ccc([C@@H]([NH3+])CCCC(N)=O)cc1F ZINC000037637016 175178985 /nfs/dbraw/zinc/17/89/85/175178985.db2.gz PZLLIQNUIDHSJP-JTQLQIEISA-N 1 0 240.278 1.490 10 0 BDAERO COc1ccc([C@@H]([NH3+])CCCC(N)=O)cc1C ZINC000037636972 175179186 /nfs/dbraw/zinc/17/91/86/175179186.db2.gz ZAFUWWXTNNFWBB-NSHDSACASA-N 1 0 236.315 1.659 10 0 BDAERO COc1ccc([C@@H](CO)[NH+](C)C)cc1OC ZINC000041245636 175179344 /nfs/dbraw/zinc/17/93/44/175179344.db2.gz BQMFHTWPNOBTTG-SNVBAGLBSA-N 1 0 225.288 1.299 10 0 BDAERO COc1ccc([C@@H](O)C[NH+]2CCCC2)cc1F ZINC000049829665 175180833 /nfs/dbraw/zinc/18/08/33/175180833.db2.gz VJANEVYGYANZFK-LBPRGKRZSA-N 1 0 239.290 1.964 10 0 BDAERO COc1ccc([C@@H](O)C[NH3+])c(Cl)c1 ZINC000071508324 175180927 /nfs/dbraw/zinc/18/09/27/175180927.db2.gz JYHBJUDAHOYUCU-VIFPVBQESA-N 1 0 201.653 1.341 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000036163975 175181190 /nfs/dbraw/zinc/18/11/90/175181190.db2.gz DKWMTHGTRIJMPB-WCQYABFASA-N 1 0 237.299 1.489 10 0 BDAERO COc1ccc([C@@H]2OC[C@H](C[NH3+])O2)c(OC)c1 ZINC000049829559 175186093 /nfs/dbraw/zinc/18/60/93/175186093.db2.gz ASRLYLSQFUDLJL-JOYOIKCWSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc([C@@]2(C)OC[C@@H](C[NH3+])O2)cc1 ZINC000049819265 175186864 /nfs/dbraw/zinc/18/68/64/175186864.db2.gz DJYGMCICLTZZGT-NEPJUHHUSA-N 1 0 223.272 1.242 10 0 BDAERO COc1ccc([C@H]([NH3+])Cn2cccn2)cc1OC ZINC000011849971 175191784 /nfs/dbraw/zinc/19/17/84/175191784.db2.gz SHSFVIFDCLBCJD-LLVKDONJSA-N 1 0 247.298 1.600 10 0 BDAERO COc1ccc([C@H](O)C[NH2+]C2CC2)cc1C ZINC000049818352 175193765 /nfs/dbraw/zinc/19/37/65/175193765.db2.gz NMTPKTXFSRFJHJ-GFCCVEGCSA-N 1 0 221.300 1.789 10 0 BDAERO COc1ccc([C@H]([C@@H](C)[NH3+])n2cccn2)cc1 ZINC000042962193 175193958 /nfs/dbraw/zinc/19/39/58/175193958.db2.gz LWVRWBYQZINYFX-MFKMUULPSA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@H](C)O2)cc1F ZINC000036673347 175196461 /nfs/dbraw/zinc/19/64/61/175196461.db2.gz IEEFFDPQSXXIDG-QPUJVOFHSA-N 1 0 225.263 1.884 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@H](C)O2)cc1 ZINC000032011715 175196623 /nfs/dbraw/zinc/19/66/23/175196623.db2.gz IIBBIKJONCCHEH-JOYOIKCWSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCOC2)cc1 ZINC000071510370 175197088 /nfs/dbraw/zinc/19/70/88/175197088.db2.gz LZYPFZYHKDASSY-NSHDSACASA-N 1 0 207.273 1.399 10 0 BDAERO COc1ccc([C@](C)([NH3+])CO)cc1Cl ZINC000077307795 175199766 /nfs/dbraw/zinc/19/97/66/175199766.db2.gz FVGVAMWZSDJSFC-SNVBAGLBSA-N 1 0 215.680 1.515 10 0 BDAERO COc1ccc2c(c1)[nH]nc2CCC[NH3+] ZINC000107439646 175204754 /nfs/dbraw/zinc/20/47/54/175204754.db2.gz LWHFKHVOKLLPBG-UHFFFAOYSA-N 1 0 205.261 1.463 10 0 BDAERO COc1ccc2c(c1)CC[C@H]([NH+](C)C)[C@H]2N ZINC000019271426 175209911 /nfs/dbraw/zinc/20/99/11/175209911.db2.gz UWXZZKVMPZWKOL-STQMWFEESA-N 1 0 220.316 1.571 10 0 BDAERO COc1ccc2c(c1)[C@@]1(CC2)C[NH2+]CCO1 ZINC000062152431 175215489 /nfs/dbraw/zinc/21/54/89/175215489.db2.gz FHJIAXSSZBWWCX-CYBMUJFWSA-N 1 0 219.284 1.457 10 0 BDAERO COc1ccc2c(c1)[C@H](O)[C@H]([NH3+])CCC2 ZINC000019795587 175217565 /nfs/dbraw/zinc/21/75/65/175217565.db2.gz AIFCWXUDLPHAAP-NEPJUHHUSA-N 1 0 207.273 1.392 10 0 BDAERO COc1ccc2c(c1OC)C[C@@H]([NH+](C)C)C2 ZINC000029224563 175222582 /nfs/dbraw/zinc/22/25/82/175222582.db2.gz YVMMRWDYSURUQY-JTQLQIEISA-N 1 0 221.300 1.733 10 0 BDAERO COc1cccc(-c2c[nH]c(CC[NH3+])n2)c1 ZINC000036876327 175233527 /nfs/dbraw/zinc/23/35/27/175233527.db2.gz OLIQIHGGFUCWCS-UHFFFAOYSA-N 1 0 217.272 1.587 10 0 BDAERO COc1cccc(C(=O)N(C)C[C@@H](C)C[NH3+])c1 ZINC000042454928 175242071 /nfs/dbraw/zinc/24/20/71/175242071.db2.gz IJJAEJATGKRRRA-JTQLQIEISA-N 1 0 236.315 1.362 10 0 BDAERO COc1cccc(C(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000071510312 175247209 /nfs/dbraw/zinc/24/72/09/175247209.db2.gz GPXIOCMRGUDUPH-NSHDSACASA-N 1 0 207.273 1.861 10 0 BDAERO COc1cccc(CC[C@@H]2COCC[NH2+]2)c1 ZINC000071522914 175253666 /nfs/dbraw/zinc/25/36/66/175253666.db2.gz RBYQOIWKZIBWER-GFCCVEGCSA-N 1 0 221.300 1.616 10 0 BDAERO COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282310147 175266518 /nfs/dbraw/zinc/26/65/18/175266518.db2.gz KJSJOOYYPNTCMU-GXFFZTMASA-N 1 0 248.326 1.452 10 0 BDAERO COc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282310144 175267859 /nfs/dbraw/zinc/26/78/59/175267859.db2.gz KJSJOOYYPNTCMU-GWCFXTLKSA-N 1 0 248.326 1.452 10 0 BDAERO COc1cccc(C[C@@H](O)[C@H]2CCC[NH2+]2)c1 ZINC000041237425 175271922 /nfs/dbraw/zinc/27/19/22/175271922.db2.gz NRVZQOILCITYFS-CHWSQXEVSA-N 1 0 221.300 1.351 10 0 BDAERO COc1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]23)n1 ZINC000104117746 175280373 /nfs/dbraw/zinc/28/03/73/175280373.db2.gz WBFJQSHZWNLFAV-WDEREUQCSA-N 1 0 233.315 1.739 10 0 BDAERO COc1cccc(OC)c1[C@@](C)(O)CC[NH3+] ZINC000082360715 175282683 /nfs/dbraw/zinc/28/26/83/175282683.db2.gz RHHHQMZRHIYYJG-LBPRGKRZSA-N 1 0 225.288 1.260 10 0 BDAERO COc1cccc(OC)c1OC[C@@H](C)C[NH3+] ZINC000036678294 175282909 /nfs/dbraw/zinc/28/29/09/175282909.db2.gz GVCVQMUWEAMIJQ-VIFPVBQESA-N 1 0 225.288 1.677 10 0 BDAERO COc1cccc(OCC[C@@](C)(O)C[NH3+])c1 ZINC000019668220 175283495 /nfs/dbraw/zinc/28/34/95/175283495.db2.gz UGVKSSLDZAYPPN-GFCCVEGCSA-N 1 0 225.288 1.174 10 0 BDAERO COc1cccc([C@@H]([NH3+])c2cnn(C)c2)c1 ZINC000026514495 175288524 /nfs/dbraw/zinc/28/85/24/175288524.db2.gz CUBSCZOWTCOPTF-GFCCVEGCSA-N 1 0 217.272 1.477 10 0 BDAERO COc1cccc([C@@H](O)[C@H]2CCCC[NH2+]2)c1 ZINC000041237250 175289463 /nfs/dbraw/zinc/28/94/63/175289463.db2.gz KVQPHGYDDHUUHV-CHWSQXEVSA-N 1 0 221.300 1.871 10 0 BDAERO COc1cccc([C@@H]([C@H](C)[NH3+])n2cccn2)c1 ZINC000043028711 175290112 /nfs/dbraw/zinc/29/01/12/175290112.db2.gz GFLBXMIDSPEZJF-GXFFZTMASA-N 1 0 231.299 1.828 10 0 BDAERO COc1cccc([C@@](C)(O)[C@H]2CCC[NH2+]C2)c1 ZINC000071545746 175291479 /nfs/dbraw/zinc/29/14/79/175291479.db2.gz YPZVOSGOKDDYAF-GXTWGEPZSA-N 1 0 235.327 1.902 10 0 BDAERO COc1cccc([C@H](N)C[NH3+])c1Cl ZINC000044472546 175294409 /nfs/dbraw/zinc/29/44/09/175294409.db2.gz MFRDCIXXMZNTMC-SSDOTTSWSA-N 1 0 200.669 1.307 10 0 BDAERO COc1cccc([C@H]([C@H](C)[NH3+])n2cncn2)c1 ZINC000043028727 175296155 /nfs/dbraw/zinc/29/61/55/175296155.db2.gz YUHNLBQJRUGHNV-CABZTGNLSA-N 1 0 232.287 1.223 10 0 BDAERO COc1cccc2c(=O)c3c([nH]c12)CC[NH2+]C3 ZINC000077259455 175298521 /nfs/dbraw/zinc/29/85/21/175298521.db2.gz RPZOZHHGXKOFTP-UHFFFAOYSA-N 1 0 230.267 1.182 10 0 BDAERO COc1cccc2sc(CC[NH3+])nc21 ZINC000082320598 175308511 /nfs/dbraw/zinc/30/85/11/175308511.db2.gz ZJAIFRPVLBFTFU-UHFFFAOYSA-N 1 0 208.286 1.806 10 0 BDAERO COc1ccccc1CC[C@H]1COCC[NH2+]1 ZINC000071522913 175325068 /nfs/dbraw/zinc/32/50/68/175325068.db2.gz MVQZQJGIEHYGQY-LBPRGKRZSA-N 1 0 221.300 1.616 10 0 BDAERO COc1ccccc1C[C@@]1(C[NH3+])CCOC1 ZINC000054637751 175333033 /nfs/dbraw/zinc/33/30/33/175333033.db2.gz OXZAFTHHHSXNHY-CYBMUJFWSA-N 1 0 221.300 1.603 10 0 BDAERO COc1ccccc1Cn1cc(C[NH3+])cn1 ZINC000054716815 175334717 /nfs/dbraw/zinc/33/47/17/175334717.db2.gz KNVYXKBCPWHMQR-UHFFFAOYSA-N 1 0 217.272 1.399 10 0 BDAERO COc1ccccc1O[C@H](C)C1=[NH+]CCN1 ZINC000073312431 175342340 /nfs/dbraw/zinc/34/23/40/175342340.db2.gz SQPFWLZXWYXMCI-SECBINFHSA-N 1 0 220.272 1.464 10 0 BDAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)CCO ZINC000043097753 175348822 /nfs/dbraw/zinc/34/88/22/175348822.db2.gz LROPVRZTWDFDTL-ZWNOBZJWSA-N 1 0 238.331 1.008 10 0 BDAERO COc1ccccc1[C@H]1C[NH2+][C@@H](C)CO1 ZINC000032011693 175355175 /nfs/dbraw/zinc/35/51/75/175355175.db2.gz FBMBRIKDHJYOTL-JOYOIKCWSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccccc1[C@]1(C)OC[C@@H](C[NH3+])O1 ZINC000049819281 175356174 /nfs/dbraw/zinc/35/61/74/175356174.db2.gz KBBQTCXLMPGZKN-BXKDBHETSA-N 1 0 223.272 1.242 10 0 BDAERO COc1ccnc(N[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000038051069 175367248 /nfs/dbraw/zinc/36/72/48/175367248.db2.gz UQNTWGKGUWXRLX-DTWKUNHWSA-N 1 0 222.292 1.167 10 0 BDAERO COc1ccnc(N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000038051071 175367463 /nfs/dbraw/zinc/36/74/63/175367463.db2.gz UQNTWGKGUWXRLX-RKDXNWHRSA-N 1 0 222.292 1.167 10 0 BDAERO COc1ccnc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000051883471 175368204 /nfs/dbraw/zinc/36/82/04/175368204.db2.gz VOBGMXAPOCAQDA-VIFPVBQESA-N 1 0 223.276 1.006 10 0 BDAERO CS(=O)(=O)CC[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000044467505 175424075 /nfs/dbraw/zinc/42/40/75/175424075.db2.gz WKFLAVFTIZHFAY-PWSUYJOCSA-N 1 0 239.340 1.293 10 0 BDAERO CSc1cc(C[NH3+])ncc1OC1CC1 ZINC000095712897 175572196 /nfs/dbraw/zinc/57/21/96/175572196.db2.gz JVVPHXRCPBECGB-UHFFFAOYSA-N 1 0 210.302 1.803 10 0 BDAERO CSc1nsnc1C1=CCC[NH2+]C1 ZINC000013776789 175593910 /nfs/dbraw/zinc/59/39/10/175593910.db2.gz YYDWSEXFYVJHJF-UHFFFAOYSA-N 1 0 213.331 1.637 10 0 BDAERO C[C@@H](C[NH3+])NC(=O)c1nccc2ccccc21 ZINC000111302911 175711665 /nfs/dbraw/zinc/71/16/65/175711665.db2.gz NOLLSEPKFGDKSN-VIFPVBQESA-N 1 0 229.283 1.312 10 0 BDAERO C[C@@H](C[NH2+]CC(C)(C)c1ccccc1)C(N)=O ZINC000037935018 175731261 /nfs/dbraw/zinc/73/12/61/175731261.db2.gz UZRVVTBIJKINFI-NSHDSACASA-N 1 0 234.343 1.675 10 0 BDAERO C[C@@H](C[NH2+]CCc1ccccc1)C(N)=S ZINC000041241570 175731759 /nfs/dbraw/zinc/73/17/59/175731759.db2.gz JMHUFEPJSWVQFL-JTQLQIEISA-N 1 0 222.357 1.741 10 0 BDAERO C[C@@H](C[NH2+]CCn1cncn1)c1ccccc1 ZINC000278622240 175731966 /nfs/dbraw/zinc/73/19/66/175731966.db2.gz FWAFEUCWCDDOJY-LBPRGKRZSA-N 1 0 230.315 1.671 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1cccc(F)c1F ZINC000040230980 175800621 /nfs/dbraw/zinc/80/06/21/175800621.db2.gz LUIDFZDUYRQMQW-RXMQYKEDSA-N 1 0 200.188 1.251 10 0 BDAERO C[C@@H]([NH3+])Cc1cccc(OC[C@@H]2CCOC2)c1 ZINC000049689933 175807300 /nfs/dbraw/zinc/80/73/00/175807300.db2.gz XAMHVESMQYEYQP-DGCLKSJQSA-N 1 0 235.327 1.992 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1ccsc1)n1cncn1 ZINC000043124097 175810434 /nfs/dbraw/zinc/81/04/34/175810434.db2.gz PSJULJWFJPQPHK-APPZFPTMSA-N 1 0 208.290 1.276 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000034077108 175813224 /nfs/dbraw/zinc/81/32/24/175813224.db2.gz RBRVCTUMEAJWIH-PWSUYJOCSA-N 1 0 218.300 1.382 10 0 BDAERO C[C@@H](NC(=O)C1(C)CC[NH2+]CC1)c1ccncc1 ZINC000062839819 175825529 /nfs/dbraw/zinc/82/55/29/175825529.db2.gz FHRVKESBKRQJSI-LLVKDONJSA-N 1 0 247.342 1.649 10 0 BDAERO C[C@@H](NC(=O)[C@](C)([NH3+])C1CC1)c1ccco1 ZINC000037478995 175846820 /nfs/dbraw/zinc/84/68/20/175846820.db2.gz SRFMRYBIOBKPMU-PRHODGIISA-N 1 0 222.288 1.584 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccco1 ZINC000180601654 175917742 /nfs/dbraw/zinc/91/77/42/175917742.db2.gz FUUDFTQFUFFTMF-NXEZZACHSA-N 1 0 232.287 1.537 10 0 BDAERO C[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1ccncc1 ZINC000019946713 175927601 /nfs/dbraw/zinc/92/76/01/175927601.db2.gz PKNNSFWFGPRYQF-RISCZKNCSA-N 1 0 231.343 1.826 10 0 BDAERO C[C@@H](OCC[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068605 176002118 /nfs/dbraw/zinc/00/21/18/176002118.db2.gz KDXOYHQZBAXXHK-NEPJUHHUSA-N 1 0 235.331 1.944 10 0 BDAERO C[C@@H](OC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095068541 176002799 /nfs/dbraw/zinc/00/27/99/176002799.db2.gz NUWJNGIUBQSHMP-GHMZBOCLSA-N 1 0 206.289 1.769 10 0 BDAERO C[C@@H](Oc1cccc2ncccc21)C(=[NH2+])NO ZINC000038817482 176005383 /nfs/dbraw/zinc/00/53/83/176005383.db2.gz OWGWODBMJMXVSV-MRVPVSSYSA-N 1 0 231.255 1.958 10 0 BDAERO C[C@@H](Oc1ccccc1C[NH3+])C(=O)NC1CC1 ZINC000020386438 176006458 /nfs/dbraw/zinc/00/64/58/176006458.db2.gz CSKHBAJDDLRGNP-SECBINFHSA-N 1 0 234.299 1.191 10 0 BDAERO C[C@@H]([C@@H]([NH3+])c1ccccc1)N1CCOCC1 ZINC000023069551 176011385 /nfs/dbraw/zinc/01/13/85/176011385.db2.gz XRYLITOSHBTBHD-WCQYABFASA-N 1 0 220.316 1.407 10 0 BDAERO C[C@@H](c1ccc[nH]1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000095068166 176016910 /nfs/dbraw/zinc/01/69/10/176016910.db2.gz VAHGJVVJTPYPEC-WDEREUQCSA-N 1 0 207.321 1.760 10 0 BDAERO C[C@@H](c1cccc(O)c1)N1CCC[NH2+]CC1 ZINC000038086986 176018812 /nfs/dbraw/zinc/01/88/12/176018812.db2.gz AYTZYZCATKSTTR-NSHDSACASA-N 1 0 220.316 1.749 10 0 BDAERO C[C@@H](c1cccc(O)c1)N1CC[NH2+]CC1 ZINC000033426853 176019090 /nfs/dbraw/zinc/01/90/90/176019090.db2.gz YZUSWDAMPSWQQB-JTQLQIEISA-N 1 0 206.289 1.358 10 0 BDAERO C[C@@H]1CC(=O)N(c2ccc(C[NH3+])cc2)C1=O ZINC000038051794 176049160 /nfs/dbraw/zinc/04/91/60/176049160.db2.gz XKJQSBXXKGSOIL-MRVPVSSYSA-N 1 0 218.256 1.045 10 0 BDAERO C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])C(C)(C)C ZINC000077458767 176067885 /nfs/dbraw/zinc/06/78/85/176067885.db2.gz HGKYJHSMKRMPIG-ZJUUUORDSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@@H]1CCCC[C@@H]1N(C)c1nccnc1C(N)=[NH2+] ZINC000054380040 176079153 /nfs/dbraw/zinc/07/91/53/176079153.db2.gz WBPFTBJMGGBTQA-ZJUUUORDSA-N 1 0 247.346 1.776 10 0 BDAERO C[C@@H]1CCCC[C@@]1(C(=O)[O-])[N@@H+]1CCC[NH2+]CC1 ZINC000037958912 176083577 /nfs/dbraw/zinc/08/35/77/176083577.db2.gz LLXARGSIJRQLHS-DGCLKSJQSA-N 1 0 240.347 1.315 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@H]([NH3+])C(C)(C)C)C1 ZINC000077458784 176094602 /nfs/dbraw/zinc/09/46/02/176094602.db2.gz JPPNABMHXCGLRU-ZJUUUORDSA-N 1 0 212.337 1.618 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCCCC1 ZINC000051792136 176111092 /nfs/dbraw/zinc/11/10/92/176111092.db2.gz YQXZNHFIQJHPRV-MNOVXSKESA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1ccccc1O ZINC000071338434 176112554 /nfs/dbraw/zinc/11/25/54/176112554.db2.gz QWVSBEGGUARGNC-PWSUYJOCSA-N 1 0 248.326 1.510 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000104211591 176119631 /nfs/dbraw/zinc/11/96/31/176119631.db2.gz XFWUVAOBXIBTLL-YVECIDJPSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@@H]1CCC[C@@H](c2nnc(CC[NH3+])[nH]2)C1 ZINC000061844108 176126092 /nfs/dbraw/zinc/12/60/92/176126092.db2.gz YBVJINDIVWJOHY-RKDXNWHRSA-N 1 0 208.309 1.600 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]CCn2ncccc2=O)C1 ZINC000061405114 176144114 /nfs/dbraw/zinc/14/41/14/176144114.db2.gz KYGWCPAAGVCKCI-NEPJUHHUSA-N 1 0 235.331 1.412 10 0 BDAERO C[C@@H]1CCC[C@H](Oc2nccnc2C[NH3+])C1 ZINC000054378596 176145949 /nfs/dbraw/zinc/14/59/49/176145949.db2.gz MCSVQBUNKIYPSD-ZJUUUORDSA-N 1 0 221.304 1.893 10 0 BDAERO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336776457 176151650 /nfs/dbraw/zinc/15/16/50/176151650.db2.gz FWPREDHWFUNHCS-MXWKQRLJSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2N)C1 ZINC000051326674 176171911 /nfs/dbraw/zinc/17/19/11/176171911.db2.gz MTIOFQLLIVYKAU-MFKMUULPSA-N 1 0 220.316 1.644 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NC2CCOCC2)C[C@@H]1[NH3+] ZINC000055129814 176220324 /nfs/dbraw/zinc/22/03/24/176220324.db2.gz VGHFNMZELHRWMV-SCVCMEIPSA-N 1 0 240.347 1.045 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](C(C)C)C1 ZINC000166141314 487632878 /nfs/dbraw/zinc/63/28/78/487632878.db2.gz MYXGQBYMHYZDBP-VXGBXAGGSA-N 1 0 226.364 1.864 10 0 BDAERO C[C@@H]1CC[C@H](CNC(=O)C(C)(C)C)C[NH2+]1 ZINC000062036732 176224986 /nfs/dbraw/zinc/22/49/86/176224986.db2.gz DMIWFIWXKYZAIY-ZJUUUORDSA-N 1 0 212.337 1.537 10 0 BDAERO C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@H]1CCCCO1 ZINC000309400466 176274436 /nfs/dbraw/zinc/27/44/36/176274436.db2.gz HHKPKFWIVDQBOD-FVCCEPFGSA-N 1 0 226.364 1.484 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCSCC2)CCCO1 ZINC000061916064 176280216 /nfs/dbraw/zinc/28/02/16/176280216.db2.gz CIBKUZYSRRIFCR-LLVKDONJSA-N 1 0 244.404 1.322 10 0 BDAERO C[C@@H]1C[N@@H+](C2CCOCC2)C[C@@]1(O)C1CC1 ZINC000091644736 176282751 /nfs/dbraw/zinc/28/27/51/176282751.db2.gz ARJUCUFSSPXPGQ-MFKMUULPSA-N 1 0 225.332 1.258 10 0 BDAERO C[C@@H]1CN(CC2([NH3+])CCCCC2)[C@H](C)CO1 ZINC000035787393 176285042 /nfs/dbraw/zinc/28/50/42/176285042.db2.gz XYHNCNYAHGDOBW-VXGBXAGGSA-N 1 0 226.364 1.757 10 0 BDAERO C[C@@H]1CN(Cc2cc(C[NH3+])ccc2F)CCO1 ZINC000019401749 176301066 /nfs/dbraw/zinc/30/10/66/176301066.db2.gz SYSUWDPJRMAVQA-SNVBAGLBSA-N 1 0 238.306 1.505 10 0 BDAERO C[C@@H]1CN(Cc2cc(C[NH3+])co2)C[C@@H](C)O1 ZINC000052380629 176302150 /nfs/dbraw/zinc/30/21/50/176302150.db2.gz IJYKEBMIVNADBH-NXEZZACHSA-N 1 0 224.304 1.348 10 0 BDAERO C[C@@H]1CN(Cc2ccc(CO)o2)C[C@@H]1[NH+](C)C ZINC000130840801 176302711 /nfs/dbraw/zinc/30/27/11/176302711.db2.gz WWWMBIXDUKJZDG-MFKMUULPSA-N 1 0 238.331 1.154 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccc(F)c2)CCO1 ZINC000022168608 176314807 /nfs/dbraw/zinc/31/48/07/176314807.db2.gz UFULJZNJMVHXCW-MFKMUULPSA-N 1 0 238.306 1.546 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])C(C)(C)C)CC(C)(C)O1 ZINC000045662585 176315028 /nfs/dbraw/zinc/31/50/28/176315028.db2.gz AZCZPTIVSKSKMN-MNOVXSKESA-N 1 0 228.380 1.859 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccsc2)CCCO1 ZINC000061913193 176315187 /nfs/dbraw/zinc/31/51/87/176315187.db2.gz CQQWTUNGLRCCBC-PWSUYJOCSA-N 1 0 240.372 1.859 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccco2)CCCO1 ZINC000061913445 176315846 /nfs/dbraw/zinc/31/58/46/176315846.db2.gz QSSZMFNGNUYBPZ-MNOVXSKESA-N 1 0 224.304 1.390 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@](C)(C[NH3+])C2CC2)CCCO1 ZINC000061915151 176317099 /nfs/dbraw/zinc/31/70/99/176317099.db2.gz VZOLMKMGUYIHNG-PWSUYJOCSA-N 1 0 212.337 1.225 10 0 BDAERO C[C@@H]1CN(c2ccccc2C[NH3+])CCCO1 ZINC000061912704 176320192 /nfs/dbraw/zinc/32/01/92/176320192.db2.gz LRCKCVHWZWDSTJ-LLVKDONJSA-N 1 0 220.316 1.761 10 0 BDAERO C[C@@H]1CN(c2ncccc2C[NH3+])CCCO1 ZINC000061912694 176321952 /nfs/dbraw/zinc/32/19/52/176321952.db2.gz OJXKQNJNXABKHA-SNVBAGLBSA-N 1 0 221.304 1.156 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccco1 ZINC000247170869 176322911 /nfs/dbraw/zinc/32/29/11/176322911.db2.gz KSHDKZRFFOPHKE-MNOVXSKESA-N 1 0 234.299 1.588 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C/Cl ZINC000113518364 176323149 /nfs/dbraw/zinc/32/31/49/176323149.db2.gz QIHWDGQJCOBNKJ-UQRCUPDISA-N 1 0 214.740 1.907 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccn1C ZINC000093437684 176323194 /nfs/dbraw/zinc/32/31/94/176323194.db2.gz JMABKBOBCLTKEB-TZMCWYRMSA-N 1 0 233.359 1.694 10 0 BDAERO C[C@@H]1C[NH2+]CCN(CCc2ccccn2)C1 ZINC000049662118 176325126 /nfs/dbraw/zinc/32/51/26/176325126.db2.gz XCNZOJHFCRAMPO-GFCCVEGCSA-N 1 0 219.332 1.165 10 0 BDAERO C[C@@H]1C[NH2+]CCN(CCc2ccccc2)C1 ZINC000049661491 176325837 /nfs/dbraw/zinc/32/58/37/176325837.db2.gz MMKROIKCMLCVMP-CYBMUJFWSA-N 1 0 218.344 1.770 10 0 BDAERO C[C@@H]1C[NH2+]CCN(CCc2cccnc2)C1 ZINC000049662247 176326011 /nfs/dbraw/zinc/32/60/11/176326011.db2.gz BRTIFNOEAXPIQN-GFCCVEGCSA-N 1 0 219.332 1.165 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCN12 ZINC000096984033 176328696 /nfs/dbraw/zinc/32/86/96/176328696.db2.gz SEYGKUIPYQGYRN-UKRRQHHQSA-N 1 0 245.370 1.165 10 0 BDAERO C[C@@H]1COCCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055127607 176333919 /nfs/dbraw/zinc/33/39/19/176333919.db2.gz UZVQITOWJVKXNC-UTUOFQBUSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@@H]1COCCN1c1nc2ccccn2c1C[NH3+] ZINC000035777596 176337365 /nfs/dbraw/zinc/33/73/65/176337365.db2.gz CUFZHCKYPCYWEP-SNVBAGLBSA-N 1 0 246.314 1.018 10 0 BDAERO C[C@@H]1COC[C@@H](C)N1CC[C@@H]1CCC[N@@H+]1C ZINC000125252097 176347352 /nfs/dbraw/zinc/34/73/52/176347352.db2.gz HNZMBZMJZLAVPZ-UPJWGTAASA-N 1 0 226.364 1.580 10 0 BDAERO C[C@@H]1COC[C@@H](CCc2ccccc2)[NH2+]1 ZINC000071509376 176347467 /nfs/dbraw/zinc/34/74/67/176347467.db2.gz NHZQAUFSCLLOPM-DGCLKSJQSA-N 1 0 205.301 1.996 10 0 BDAERO C[C@@H]1COc2ccccc2[C@H]1N1CC[NH2+]CC1 ZINC000071489746 176348154 /nfs/dbraw/zinc/34/81/54/176348154.db2.gz SJWNRVSFQJJFAI-RISCZKNCSA-N 1 0 232.327 1.661 10 0 BDAERO C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094647035 176360602 /nfs/dbraw/zinc/36/06/02/176360602.db2.gz XXYFGDAKMVMEPI-FDYHWXHSSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1C[NH3+] ZINC000037757374 176384007 /nfs/dbraw/zinc/38/40/07/176384007.db2.gz IDUMIPYFOAXBQV-MFKMUULPSA-N 1 0 232.327 1.760 10 0 BDAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCn2ncnc21 ZINC000336769512 176398159 /nfs/dbraw/zinc/39/81/59/176398159.db2.gz VRCHATDJEDMGMR-BBBLOLIVSA-N 1 0 206.293 1.359 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)C1(C[NH3+])CCCCC1 ZINC000052277156 176399687 /nfs/dbraw/zinc/39/96/87/176399687.db2.gz BODAHRZHOWRPMO-ZJUUUORDSA-N 1 0 210.321 1.420 10 0 BDAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC000034978286 176406409 /nfs/dbraw/zinc/40/64/09/176406409.db2.gz PBUDMOOTDKHLIL-BZTNIEFMSA-N 1 0 232.283 1.673 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2(C)C)[C@@H]1C ZINC000336778176 176426200 /nfs/dbraw/zinc/42/62/00/176426200.db2.gz KNVNARWZNKCKBF-ZNSHCXBVSA-N 1 0 224.348 1.678 10 0 BDAERO C[C@@H]1Cc2ccccc2N1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052418355 176451317 /nfs/dbraw/zinc/45/13/17/176451317.db2.gz YBTYQZHOVLZDDD-BNOWGMLFSA-N 1 0 246.354 1.944 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@@H]1CC1(C)C ZINC000309406470 176455125 /nfs/dbraw/zinc/45/51/25/176455125.db2.gz HZBCRICKKHJGPI-NAKRPEOUSA-N 1 0 224.348 1.678 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000286908755 176455374 /nfs/dbraw/zinc/45/53/74/176455374.db2.gz MBYBDQRDFQJUBQ-JKOKRWQUSA-N 1 0 244.338 1.583 10 0 BDAERO C[C@@H]1NC2=[NH+]CCN2[C@@H]1c1ccccc1 ZINC000141522526 176457490 /nfs/dbraw/zinc/45/74/90/176457490.db2.gz BWRHNDOASKGGST-ONGXEEELSA-N 1 0 201.273 1.391 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000309768869 176481175 /nfs/dbraw/zinc/48/11/75/176481175.db2.gz KCAXVDNCYJSTFC-QJPTWQEYSA-N 1 0 225.332 1.713 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(N(C)C)cc1 ZINC000310741547 176501832 /nfs/dbraw/zinc/50/18/32/176501832.db2.gz GCUGSJNGBCTHAO-ZWNOBZJWSA-N 1 0 247.342 1.314 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCCc1ccccc1 ZINC000336793886 176501903 /nfs/dbraw/zinc/50/19/03/176501903.db2.gz YUFYINHKGAVSQD-TZMCWYRMSA-N 1 0 246.354 1.957 10 0 BDAERO C[C@H](CC[NH3+])Sc1nnc2n1CCCCC2 ZINC000041042956 176628171 /nfs/dbraw/zinc/62/81/71/176628171.db2.gz KSBRWGGZPOWUBT-SECBINFHSA-N 1 0 240.376 1.834 10 0 BDAERO C[C@H](CCc1ccco1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000040430545 176641049 /nfs/dbraw/zinc/64/10/49/176641049.db2.gz FRFVPIQKJYRADC-ZYHUDNBSSA-N 1 0 236.315 1.469 10 0 BDAERO C[C@H](C[NH3+])CN(C)C(=O)CCc1ccccc1 ZINC000042454989 176658305 /nfs/dbraw/zinc/65/83/05/176658305.db2.gz KREXUJZUQVRFPC-GFCCVEGCSA-N 1 0 234.343 1.672 10 0 BDAERO C[C@H](C[NH3+])c1nc(-c2ccccc2)n[nH]1 ZINC000054335020 176662670 /nfs/dbraw/zinc/66/26/70/176662670.db2.gz DJNCMTOTFOMSRN-MRVPVSSYSA-N 1 0 202.261 1.534 10 0 BDAERO C[C@H](CO)[C@H](C)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000252837295 176713120 /nfs/dbraw/zinc/71/31/20/176713120.db2.gz AXSGULNUCSZDLY-DYEKYZERSA-N 1 0 237.343 1.501 10 0 BDAERO C[C@H]([NH3+])CC(=O)NCc1cc2c(s1)CCC2 ZINC000040628086 176756476 /nfs/dbraw/zinc/75/64/76/176756476.db2.gz AKCPXKKYTXGFGW-QMMMGPOBSA-N 1 0 238.356 1.590 10 0 BDAERO C[C@H]([NH3+])Cc1cccc(OC[C@H](C)C(N)=O)c1 ZINC000037726686 176761484 /nfs/dbraw/zinc/76/14/84/176761484.db2.gz GJUZYLLZOUNSBB-UWVGGRQHSA-N 1 0 236.315 1.077 10 0 BDAERO C[C@H]([NH3+])[C@@H](Sc1nnnn1C)c1ccccc1 ZINC000042904430 176765400 /nfs/dbraw/zinc/76/54/00/176765400.db2.gz QENPXWWBFKFMGM-WCBMZHEXSA-N 1 0 249.343 1.391 10 0 BDAERO C[C@H]([NH3+])[C@H](O)Cc1ccc(Br)cc1 ZINC000096985931 176770016 /nfs/dbraw/zinc/77/00/16/176770016.db2.gz MQNYAFCYICXITC-OIBJUYFYSA-N 1 0 244.132 1.700 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1cc(Br)cs1 ZINC000043289783 176770378 /nfs/dbraw/zinc/77/03/78/176770378.db2.gz LSXYHZRCSZVUNF-FFWSUHOLSA-N 1 0 236.134 1.891 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)N=c1[nH]c2ccccc2s1 ZINC000335846176 176784612 /nfs/dbraw/zinc/78/46/12/176784612.db2.gz IFIZFLZNOPETRR-SFYZADRCSA-N 1 0 221.329 1.866 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000035206820 176809135 /nfs/dbraw/zinc/80/91/35/176809135.db2.gz RTNSEWXNZMJYME-IUCAKERBSA-N 1 0 208.261 1.209 10 0 BDAERO C[C@H]([NH2+]C(C)(C)CO)C(=O)NC1CCCCC1 ZINC000035102115 176824291 /nfs/dbraw/zinc/82/42/91/176824291.db2.gz GUPKIGODDWAOCF-JTQLQIEISA-N 1 0 242.363 1.184 10 0 BDAERO C[C@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CCCO1 ZINC000230938696 176881616 /nfs/dbraw/zinc/88/16/16/176881616.db2.gz SIEJUMBFWDFUGP-CABZTGNLSA-N 1 0 224.279 1.878 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)C(N)=O ZINC000035793799 176894724 /nfs/dbraw/zinc/89/47/24/176894724.db2.gz PNYVCWPDGKIUKV-GXFFZTMASA-N 1 0 232.327 1.918 10 0 BDAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000052272629 176929493 /nfs/dbraw/zinc/92/94/93/176929493.db2.gz QPFISSRNQFFJNH-LAEOZQHASA-N 1 0 231.299 1.915 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])c1nnc(C2CCCCC2)[nH]1 ZINC000041058857 177006149 /nfs/dbraw/zinc/00/61/49/177006149.db2.gz JBADRKJLKIMKQV-IONNQARKSA-N 1 0 224.308 1.233 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000049547218 177018063 /nfs/dbraw/zinc/01/80/63/177018063.db2.gz QXUBQEFAVXIVGE-WDEREUQCSA-N 1 0 248.326 1.821 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000049547177 177018228 /nfs/dbraw/zinc/01/82/28/177018228.db2.gz UWUORWJPIJCUNZ-CABZTGNLSA-N 1 0 234.299 1.430 10 0 BDAERO C[C@H](O)c1ncc(C[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000279071851 177019844 /nfs/dbraw/zinc/01/98/44/177019844.db2.gz RRRXKCIIZFLFFA-QXFUBDJGSA-N 1 0 242.344 1.463 10 0 BDAERO C[C@H](OC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095068542 177021902 /nfs/dbraw/zinc/02/19/02/177021902.db2.gz NUWJNGIUBQSHMP-QWRGUYRKSA-N 1 0 206.289 1.769 10 0 BDAERO C[C@H]([NH3+])c1ccc(F)cc1O[C@@H](C)C(N)=O ZINC000062745722 177022676 /nfs/dbraw/zinc/02/26/76/177022676.db2.gz UMCICHISNLFWNQ-BQBZGAKWSA-N 1 0 226.251 1.098 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)NC1CC1 ZINC000020419411 177024396 /nfs/dbraw/zinc/02/43/96/177024396.db2.gz SAFXGTCVGBBIGE-ZJUUUORDSA-N 1 0 248.326 1.752 10 0 BDAERO C[C@H](SCC[NH3+])C(=O)Nc1ccccc1 ZINC000020422322 177026827 /nfs/dbraw/zinc/02/68/27/177026827.db2.gz GFGCIPJAQQGLDO-VIFPVBQESA-N 1 0 224.329 1.706 10 0 BDAERO C[C@H](c1ccc(C[NH3+])cc1)N1CCCC1=O ZINC000037748192 177033030 /nfs/dbraw/zinc/03/30/30/177033030.db2.gz OZTNEFXJTZYTTM-SNVBAGLBSA-N 1 0 218.300 1.829 10 0 BDAERO C[C@H](c1ccc(N)cc1)[N@@H+]1CC[C@H](O)C1 ZINC000061709762 177034967 /nfs/dbraw/zinc/03/49/67/177034967.db2.gz WSWLCZFDZABHRT-SKDRFNHKSA-N 1 0 206.289 1.396 10 0 BDAERO C[C@H](c1cccc(Cl)c1)N1C[C@H]([NH3+])CC1=O ZINC000049526763 177036059 /nfs/dbraw/zinc/03/60/59/177036059.db2.gz DGCMGBMCCSFYIV-LDYMZIIASA-N 1 0 238.718 1.961 10 0 BDAERO C[C@H](c1ccncc1)N(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037823880 177049818 /nfs/dbraw/zinc/04/98/18/177049818.db2.gz HOTJZQBIZZZCKQ-DGCLKSJQSA-N 1 0 247.342 1.743 10 0 BDAERO C[C@H](c1nccs1)[N@@H+]1CC[C@@H](CO)C1 ZINC000100248444 177054265 /nfs/dbraw/zinc/05/42/65/177054265.db2.gz RSQKOCBODUBLMY-RKDXNWHRSA-N 1 0 212.318 1.518 10 0 BDAERO C[C@@H]1CN([C@@]2(C[NH3+])CCCC[C@@H]2C)CCO1 ZINC000019440566 177090794 /nfs/dbraw/zinc/09/07/94/177090794.db2.gz QDLLPNOWMYSAOP-YNEHKIRRSA-N 1 0 226.364 1.615 10 0 BDAERO C[C@H]1CCCN(C(=O)C2(C[NH3+])CCC2)C1 ZINC000082641468 177090924 /nfs/dbraw/zinc/09/09/24/177090924.db2.gz HTVVXHPHHKZBMI-JTQLQIEISA-N 1 0 210.321 1.374 10 0 BDAERO C[C@H]1CCCN(C(=O)C[NH2+]C2CCCC2)C1 ZINC000037394918 177091911 /nfs/dbraw/zinc/09/19/11/177091911.db2.gz RUWJVXGJBXLPFZ-NSHDSACASA-N 1 0 224.348 1.777 10 0 BDAERO C[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cn2)[C@H]1C ZINC000104208343 177094412 /nfs/dbraw/zinc/09/44/12/177094412.db2.gz CVUVEOOEQPOUBJ-QWRGUYRKSA-N 1 0 247.342 1.801 10 0 BDAERO C[C@H]1CCCN1c1ccc(N)cc1C(N)=O ZINC000041046053 177111555 /nfs/dbraw/zinc/11/15/55/177111555.db2.gz PBNCYZMZXBMGOR-QMMMGPOBSA-N 1 0 219.288 1.356 10 0 BDAERO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)C1C[NH2+]C1 ZINC000134177812 177116036 /nfs/dbraw/zinc/11/60/36/177116036.db2.gz FFBLQDPLCJQBTF-OUAUKWLOSA-N 1 0 224.348 1.631 10 0 BDAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)NC(C)(C)C)C1 ZINC000104306736 177127523 /nfs/dbraw/zinc/12/75/23/177127523.db2.gz VYALAPRAQAXMJZ-GXFFZTMASA-N 1 0 241.379 1.992 10 0 BDAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)OC2CCC2)C1 ZINC000050929387 177127652 /nfs/dbraw/zinc/12/76/52/177127652.db2.gz PVBJQPDJTKVEGH-CABZTGNLSA-N 1 0 211.305 1.990 10 0 BDAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000019411807 177136481 /nfs/dbraw/zinc/13/64/81/177136481.db2.gz UYKZGCYMIGHOKU-USZNOCQGSA-N 1 0 224.348 1.679 10 0 BDAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000022162763 177137480 /nfs/dbraw/zinc/13/74/80/177137480.db2.gz GJEADLQAHJGJGM-QCNOEVLYSA-N 1 0 245.388 1.588 10 0 BDAERO C[C@H]1CCN(C(=O)CCOC2CC[NH2+]CC2)C1 ZINC000104380486 177147414 /nfs/dbraw/zinc/14/74/14/177147414.db2.gz JPHKPGPSCLEMII-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO C[C@H]1CCN(C(=O)CC2CCC2)[C@@H](C[NH3+])C1 ZINC000235650079 177147471 /nfs/dbraw/zinc/14/74/71/177147471.db2.gz WVRDXHJIWANNKG-CMPLNLGQSA-N 1 0 224.348 1.762 10 0 BDAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCCn1ccc(N)n1 ZINC000071352463 177160435 /nfs/dbraw/zinc/16/04/35/177160435.db2.gz YZULYVPNPBJXOO-NWDGAFQWSA-N 1 0 236.363 1.976 10 0 BDAERO C[C@@H](c1ccccn1)N1CC[NH2+][C@@H](C)CC1 ZINC000049662176 177170672 /nfs/dbraw/zinc/17/06/72/177170672.db2.gz UPBCRYOKAMZKHR-RYUDHWBXSA-N 1 0 219.332 1.826 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)N2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000019433737 177223189 /nfs/dbraw/zinc/22/31/89/177223189.db2.gz MMQLLNBPBLMKCA-WISYIIOYSA-N 1 0 240.347 1.010 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCCC2)C[C@H](C)O1 ZINC000019434362 177241254 /nfs/dbraw/zinc/24/12/54/177241254.db2.gz PJDOVJXOBKETJS-PHIMTYICSA-N 1 0 212.337 1.367 10 0 BDAERO C[C@H]1CN(C2(C[NH3+])CCCC2)CC(C)(C)O1 ZINC000045664743 177241340 /nfs/dbraw/zinc/24/13/40/177241340.db2.gz GZFSKVOQWGYZRX-NSHDSACASA-N 1 0 226.364 1.757 10 0 BDAERO C[C@H]1CN(CCCc2ccccc2)C[C@H]1[NH3+] ZINC000300049385 177249204 /nfs/dbraw/zinc/24/92/04/177249204.db2.gz RJURTHQTDCUNJU-GXTWGEPZSA-N 1 0 218.344 1.898 10 0 BDAERO C[C@@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)C[C@H](C)O1 ZINC000019481797 177262539 /nfs/dbraw/zinc/26/25/39/177262539.db2.gz FMCOVORRICXVPT-PHIMTYICSA-N 1 0 247.342 1.580 10 0 BDAERO C[C@H]1CN(Cc2ccnc(N)c2)C[C@@H]1[NH+](C)C ZINC000125107783 177268576 /nfs/dbraw/zinc/26/85/76/177268576.db2.gz XBZLLOZUQGSBNX-JQWIXIFHSA-N 1 0 234.347 1.046 10 0 BDAERO C[C@@H]([C@H](O)c1ccccc1)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000104126098 177273528 /nfs/dbraw/zinc/27/35/28/177273528.db2.gz RBPVDHHNUWERPJ-YDHLFZDLSA-N 1 0 248.370 1.744 10 0 BDAERO C[C@@H](C[NH2+]C(C)(C)C)N1CCO[C@@H](C)C1 ZINC000052382247 177273543 /nfs/dbraw/zinc/27/35/43/177273543.db2.gz QWPIATHCBAENKB-QWRGUYRKSA-N 1 0 214.353 1.484 10 0 BDAERO C[C@H]1CN([C@@H](C[NH3+])c2cccc(F)c2)CCO1 ZINC000022168611 177274359 /nfs/dbraw/zinc/27/43/59/177274359.db2.gz UFULJZNJMVHXCW-GWCFXTLKSA-N 1 0 238.306 1.546 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCO[C@@H](C)C1 ZINC000042900659 177275337 /nfs/dbraw/zinc/27/53/37/177275337.db2.gz YQCJOVBPPHOURZ-OUCADQQQSA-N 1 0 234.343 1.796 10 0 BDAERO C[C@H]1CN([C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000061936542 177275530 /nfs/dbraw/zinc/27/55/30/177275530.db2.gz URBWNWMABYPIFR-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO C[C@H]1CN(c2cncc(Cl)n2)C[C@H]1[NH+](C)C ZINC000251598959 177277882 /nfs/dbraw/zinc/27/78/82/177277882.db2.gz DAHCCFFANGPCMM-DTWKUNHWSA-N 1 0 240.738 1.516 10 0 BDAERO C[C@@H]([NH3+])c1cnc(N2CCCO[C@@H](C)C2)s1 ZINC000061936806 177277914 /nfs/dbraw/zinc/27/79/14/177277914.db2.gz DQIAMXYXYZOTHG-DTWKUNHWSA-N 1 0 241.360 1.778 10 0 BDAERO C[C@H]1CN(c2ncc(C[NH3+])s2)C[C@H](C)O1 ZINC000054864252 177278543 /nfs/dbraw/zinc/27/85/43/177278543.db2.gz VMNJWYWJWRMFSJ-YUMQZZPRSA-N 1 0 227.333 1.215 10 0 BDAERO C[C@H]1C[NH2+]CCN(Cc2ccccn2)C1 ZINC000049662108 177283114 /nfs/dbraw/zinc/28/31/14/177283114.db2.gz NTKNXVXFUTYRIZ-NSHDSACASA-N 1 0 205.305 1.123 10 0 BDAERO C[C@H]1C[NH2+]CCN1CC(=O)c1ccccc1 ZINC000067799213 177283930 /nfs/dbraw/zinc/28/39/30/177283930.db2.gz GYULQQGGEGBALM-NSHDSACASA-N 1 0 218.300 1.163 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000104407966 177285871 /nfs/dbraw/zinc/28/58/71/177285871.db2.gz OICOPMARGJRRSV-CBAPKCEASA-N 1 0 240.253 1.759 10 0 BDAERO C[C@H]1COCCN1C1(C[NH3+])CCCCCC1 ZINC000035774973 177291153 /nfs/dbraw/zinc/29/11/53/177291153.db2.gz PYZNAKZNZCUTAE-LBPRGKRZSA-N 1 0 226.364 1.759 10 0 BDAERO C[C@H]1COCCN1Cc1ccc(C(N)=[NH2+])cc1 ZINC000035776349 177292078 /nfs/dbraw/zinc/29/20/78/177292078.db2.gz KUXFPINSWBPBSJ-JTQLQIEISA-N 1 0 233.315 1.191 10 0 BDAERO C[C@H]1COC[C@H](C)[NH+]1CCCCCO ZINC000304290331 177299558 /nfs/dbraw/zinc/29/95/58/177299558.db2.gz LYDZHLCXYAQZDP-QWRGUYRKSA-N 1 0 201.310 1.258 10 0 BDAERO C[C@H]1CSC(NCc2ccccn2)=[NH+]1 ZINC000035295039 177303429 /nfs/dbraw/zinc/30/34/29/177303429.db2.gz AJHDWBFEOFCGSN-QMMMGPOBSA-N 1 0 207.302 1.663 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])c2cc(Cl)ccc2S1(=O)=O ZINC000035752123 177327234 /nfs/dbraw/zinc/32/72/34/177327234.db2.gz RREFIMPXWWRDNH-IMTBSYHQSA-N 1 0 245.731 1.906 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000052289194 177348341 /nfs/dbraw/zinc/34/83/41/177348341.db2.gz IJWGUTZZGGTQDP-TVYUQYBPSA-N 1 0 230.311 1.226 10 0 BDAERO C[C@H]1C[C@H]1C[N@H+](C)Cc1ccc(C(N)=O)cc1N ZINC000104426733 177379227 /nfs/dbraw/zinc/37/92/27/177379227.db2.gz MGQDYKMADSSMGZ-CABZTGNLSA-N 1 0 247.342 1.456 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000183557064 177385413 /nfs/dbraw/zinc/38/54/13/177385413.db2.gz PEKBAXMCIBGBDX-WCBMZHEXSA-N 1 0 219.288 1.286 10 0 BDAERO C[C@H]1Cc2ccccc2N1C(=O)C(C)(C)[NH3+] ZINC000019672681 177389481 /nfs/dbraw/zinc/38/94/81/177389481.db2.gz BXKHONBSENIBJS-VIFPVBQESA-N 1 0 218.300 1.702 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000282528774 177393991 /nfs/dbraw/zinc/39/39/91/177393991.db2.gz YWCMETSODCQVQU-BXKDBHETSA-N 1 0 234.299 1.149 10 0 BDAERO C[C@H]1[NH2+]CCCn2c1nnc2C(F)(F)F ZINC000039110197 177396824 /nfs/dbraw/zinc/39/68/24/177396824.db2.gz AYLCVQLRCMPZPD-RXMQYKEDSA-N 1 0 220.198 1.351 10 0 BDAERO CCN(CC[NH3+])c1ncnc2c1CCCC2 ZINC000087308399 487638556 /nfs/dbraw/zinc/63/85/56/487638556.db2.gz XHUPFLUTHONDCU-UHFFFAOYSA-N 1 0 220.320 1.140 10 0 BDAERO C[C@]1(c2cccc(Cl)c2)C[C@]1(C[NH3+])CO ZINC000070501084 177478785 /nfs/dbraw/zinc/47/87/85/177478785.db2.gz VKQHLXGZOWEJRD-NEPJUHHUSA-N 1 0 225.719 1.939 10 0 BDAERO C[C@]12CCCC[C@@]1(Br)[N+](=O)N2O ZINC000025979651 177483294 /nfs/dbraw/zinc/48/32/94/177483294.db2.gz MQONQKXBMDYNHE-NKWVEPMBSA-N 1 0 235.081 1.897 10 0 BDAERO Cc1c(CCC[NH3+])cnn1[C@H]1CCCC[C@H]1O ZINC000054600292 177581197 /nfs/dbraw/zinc/58/11/97/177581197.db2.gz MWUFFYHNPZVIKX-QWHCGFSZSA-N 1 0 237.347 1.559 10 0 BDAERO Cc1c(N)cccc1C[NH+]1CCC(C(N)=O)CC1 ZINC000035649000 177612786 /nfs/dbraw/zinc/61/27/86/177612786.db2.gz UIODFOBTCIGHPP-UHFFFAOYSA-N 1 0 247.342 1.275 10 0 BDAERO CCc1nnc(C[NH2+][C@@]2(C)CCO[C@@H]2C)n1C ZINC000494224419 226262547 /nfs/dbraw/zinc/26/25/47/226262547.db2.gz SRWXNLFGQMSZTK-SKDRFNHKSA-N 1 0 238.335 1.035 10 0 BDAERO CN(C)[C@H]1CC[N@H+](C)[C@@H]1Cc1ccccc1 ZINC000503713296 226333208 /nfs/dbraw/zinc/33/32/08/226333208.db2.gz WZXWDWMJBVAHKG-UONOGXRCSA-N 1 0 218.344 1.863 10 0 BDAERO CO[C@H](C[N@@H+]1CCC[C@H]1CCCO)C1CC1 ZINC000400181208 226334516 /nfs/dbraw/zinc/33/45/16/226334516.db2.gz PLZRLHOWWCUUKS-QWHCGFSZSA-N 1 0 227.348 1.648 10 0 BDAERO C[C@@H](CO)C[NH+]1CCC(c2nccs2)CC1 ZINC000678046283 487652122 /nfs/dbraw/zinc/65/21/22/487652122.db2.gz VWNFOXAJSLPIJH-SNVBAGLBSA-N 1 0 240.372 1.951 10 0 BDAERO CC(C)c1nsc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000232786112 487653867 /nfs/dbraw/zinc/65/38/67/487653867.db2.gz AKPYPFXRQZOTCZ-SFYZADRCSA-N 1 0 226.349 1.445 10 0 BDAERO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226228936 487657402 /nfs/dbraw/zinc/65/74/02/487657402.db2.gz DWPVYQGBHZTIBO-YNEHKIRRSA-N 1 0 228.380 1.610 10 0 BDAERO [NH3+]CCCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000070202596 487662664 /nfs/dbraw/zinc/66/26/64/487662664.db2.gz OOWXUVDXIKLTMH-NWDGAFQWSA-N 1 0 240.347 1.285 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655776752 487665550 /nfs/dbraw/zinc/66/55/50/487665550.db2.gz ONCUXMNUHDSBEL-SDDRHHMPSA-N 1 0 228.405 1.954 10 0 BDAERO Cc1nsc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000307735596 229222207 /nfs/dbraw/zinc/22/22/07/229222207.db2.gz QPBCHEHTROBMCH-HTRCEHHLSA-N 1 0 212.322 1.256 10 0 BDAERO C[C@H](OCc1ccccc1)C(=O)N(C)CC[NH3+] ZINC000404382797 229392162 /nfs/dbraw/zinc/39/21/62/229392162.db2.gz CXIZWKUQALLWIZ-NSHDSACASA-N 1 0 236.315 1.009 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)Nc1ccccc1 ZINC000087655051 487675358 /nfs/dbraw/zinc/67/53/58/487675358.db2.gz OACHZDCDJFOIRC-SNVBAGLBSA-N 1 0 219.288 1.418 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000054076812 487683266 /nfs/dbraw/zinc/68/32/66/487683266.db2.gz ULJVNJJLQVMZJX-PWSUYJOCSA-N 1 0 224.348 1.776 10 0 BDAERO CCSCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000308750773 487685301 /nfs/dbraw/zinc/68/53/01/487685301.db2.gz PICZWGWNWQHBAM-GFCCVEGCSA-N 1 0 228.405 1.910 10 0 BDAERO Cc1cc(N[C@@H](C[NH3+])CC(C)C)nc(C)n1 ZINC000082593001 487686134 /nfs/dbraw/zinc/68/61/34/487686134.db2.gz QYOSCTKRXVIHHR-LLVKDONJSA-N 1 0 222.336 1.879 10 0 BDAERO CCN1CCC[C@H]1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000226249980 487693071 /nfs/dbraw/zinc/69/30/71/487693071.db2.gz AGUNDPCYFMSVMB-BFHYXJOUSA-N 1 0 240.391 1.706 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398779331 262769299 /nfs/dbraw/zinc/76/92/99/262769299.db2.gz JNEXFWBJFINTTE-UMSGYPCISA-N 1 0 227.348 1.096 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCCCF ZINC000395240544 262784965 /nfs/dbraw/zinc/78/49/65/262784965.db2.gz PZJZMOATGPIDOH-MNOVXSKESA-N 1 0 203.301 1.971 10 0 BDAERO CC(C)[C@H](C(=O)N(C)C[C@H]1CCCO1)[C@H](C)[NH3+] ZINC000399539394 262838536 /nfs/dbraw/zinc/83/85/36/262838536.db2.gz XZKUJCKCOCUGQT-TUAOUCFPSA-N 1 0 242.363 1.243 10 0 BDAERO CC[NH+](CC)[C@@H]1CCN([C@@H]2CCC[C@H]2O)C1 ZINC000226285187 487706871 /nfs/dbraw/zinc/70/68/71/487706871.db2.gz ZJMMFOIQYPTWEP-JHJVBQTASA-N 1 0 226.364 1.316 10 0 BDAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384320547 487707807 /nfs/dbraw/zinc/70/78/07/487707807.db2.gz VCMMBTPAPDJSQI-NAKRPEOUSA-N 1 0 242.388 1.385 10 0 BDAERO C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](O)C2)C[C@H](C)N1C ZINC000328573519 487716025 /nfs/dbraw/zinc/71/60/25/487716025.db2.gz VYSIOIZYLMPFCF-RFQIPJPRSA-N 1 0 240.391 1.562 10 0 BDAERO CCN(CC[NH3+])c1nccc2occc21 ZINC000233458451 487717363 /nfs/dbraw/zinc/71/73/63/487717363.db2.gz DDCQQDSXXCPYHS-UHFFFAOYSA-N 1 0 205.261 1.613 10 0 BDAERO C[C@H]([NH3+])Cc1ccc(-c2cnn(C)c2)cc1 ZINC000082706540 487720628 /nfs/dbraw/zinc/72/06/28/487720628.db2.gz JLFSUJKMJGCLDF-JTQLQIEISA-N 1 0 215.300 1.977 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C)n1 ZINC000051576743 487722827 /nfs/dbraw/zinc/72/28/27/487722827.db2.gz FFXUQFPLHYHXBE-BXKDBHETSA-N 1 0 235.331 1.380 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000226379294 487725552 /nfs/dbraw/zinc/72/55/52/487725552.db2.gz CFHTVRMXKZNANO-WPRPVWTQSA-N 1 0 222.288 1.657 10 0 BDAERO CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249926911 487725633 /nfs/dbraw/zinc/72/56/33/487725633.db2.gz CEZOYSPLMMPMAN-ZSBIGDGJSA-N 1 0 224.348 1.491 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1Cc2ccccc21 ZINC000136363643 487731474 /nfs/dbraw/zinc/73/14/74/487731474.db2.gz YPLLYOJIJSICDF-JSGCOSHPSA-N 1 0 246.354 1.816 10 0 BDAERO CCN(Cc1ccccn1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136490392 487737774 /nfs/dbraw/zinc/73/77/74/487737774.db2.gz DBRALAOQWRDOHC-CYBMUJFWSA-N 1 0 249.358 1.804 10 0 BDAERO CC[C@@H](C)N(CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233850236 487748236 /nfs/dbraw/zinc/74/82/36/487748236.db2.gz XDWPADFKWLCMFF-GMTAPVOTSA-N 1 0 212.337 1.489 10 0 BDAERO Cc1cncc(CN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000226466964 487752515 /nfs/dbraw/zinc/75/25/15/487752515.db2.gz TWYJAYSFXSCHNP-CQSZACIVSA-N 1 0 233.359 1.964 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]CCn2cc(C)cn2)CCO1 ZINC000233957886 487754511 /nfs/dbraw/zinc/75/45/11/487754511.db2.gz NIZIACPJNMKFTL-CHWSQXEVSA-N 1 0 237.347 1.739 10 0 BDAERO CC[C@@H](NC(=O)C[NH2+]C(C)C)C(C)C ZINC000042592968 487761965 /nfs/dbraw/zinc/76/19/65/487761965.db2.gz ZMAWBYFZRWRNKO-SNVBAGLBSA-N 1 0 200.326 1.535 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000300416326 487782902 /nfs/dbraw/zinc/78/29/02/487782902.db2.gz QVRKQHLAYSEFSK-KXNHARMFSA-N 1 0 240.347 1.045 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c2ccccc12 ZINC000385457915 487786383 /nfs/dbraw/zinc/78/63/83/487786383.db2.gz 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BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCc1cccnc1 ZINC000229586577 487927837 /nfs/dbraw/zinc/92/78/37/487927837.db2.gz BXKOSPCQQDDRSY-WCQYABFASA-N 1 0 247.342 1.271 10 0 BDAERO Cn1nncc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309611219 487945851 /nfs/dbraw/zinc/94/58/51/487945851.db2.gz ZKXFSWIQKZWMIN-KOLCDFICSA-N 1 0 226.299 1.433 10 0 BDAERO C[C@H]1CC[C@@H](C(=O)NCC2CC[NH+](C)CC2)O1 ZINC000151453727 323016562 /nfs/dbraw/zinc/01/65/62/323016562.db2.gz HOAONLYJJXHQMJ-JQWIXIFHSA-N 1 0 240.347 1.012 10 0 BDAERO CCC[C@@H](C(=O)N1CC[C@@H](CC)C1)[NH+](C)C ZINC000153544794 323052108 /nfs/dbraw/zinc/05/21/08/323052108.db2.gz OEFIMJCZCCLEKO-NEPJUHHUSA-N 1 0 226.364 1.975 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1nccnc1OCC ZINC000570667801 323066496 /nfs/dbraw/zinc/06/64/96/323066496.db2.gz QIDVDVWGVZHPKL-JTQLQIEISA-N 1 0 238.335 1.227 10 0 BDAERO CCc1nc(C)cc(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000394828993 323085794 /nfs/dbraw/zinc/08/57/94/323085794.db2.gz YTPQCZGVKQYTIT-QMMMGPOBSA-N 1 0 244.289 1.164 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1cscn1 ZINC000563451693 323126512 /nfs/dbraw/zinc/12/65/12/323126512.db2.gz PYJJYZAOZZDZAA-YIZRAAEISA-N 1 0 239.344 1.448 10 0 BDAERO CCOc1nccnc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000563611476 323131510 /nfs/dbraw/zinc/13/15/10/323131510.db2.gz HQUTTZXPWISFET-ZJUUUORDSA-N 1 0 236.319 1.049 10 0 BDAERO CC[C@](C)(O)C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000398622255 323187183 /nfs/dbraw/zinc/18/71/83/323187183.db2.gz KMUNNDHPKLDGSZ-TUAOUCFPSA-N 1 0 215.337 1.098 10 0 BDAERO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399390849 323205269 /nfs/dbraw/zinc/20/52/69/323205269.db2.gz CNNMQBTVJDEFLO-WDEREUQCSA-N 1 0 242.363 1.136 10 0 BDAERO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000571803959 323483311 /nfs/dbraw/zinc/48/33/11/323483311.db2.gz ASRCMLRTDXYEKY-USZNOCQGSA-N 1 0 240.347 1.058 10 0 BDAERO C[C@@H]1CC(NC(=O)[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000571803958 323483353 /nfs/dbraw/zinc/48/33/53/323483353.db2.gz ASRCMLRTDXYEKY-MXWKQRLJSA-N 1 0 240.347 1.058 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@H]1CCOC1 ZINC000121393752 324010117 /nfs/dbraw/zinc/01/01/17/324010117.db2.gz TWDRAPOURYHQFZ-WRWGMCAJSA-N 1 0 213.321 1.569 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCn2ncnc21)C1CC1 ZINC000122708134 324054555 /nfs/dbraw/zinc/05/45/55/324054555.db2.gz KPKOEHYBUXPGEB-WDEREUQCSA-N 1 0 220.320 1.891 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)c(OC)c1 ZINC000162933309 324136757 /nfs/dbraw/zinc/13/67/57/324136757.db2.gz BUGPDOPLACUUNN-SSDOTTSWSA-N 1 0 226.251 1.381 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(F)cn3)C[C@H]12 ZINC000310942606 325013215 /nfs/dbraw/zinc/01/32/15/325013215.db2.gz KDJGCYRHGHEYRV-INTQDDNPSA-N 1 0 249.289 1.030 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000130966706 325104635 /nfs/dbraw/zinc/10/46/35/325104635.db2.gz GBAMTIHNCZMZQX-VIFPVBQESA-N 1 0 232.283 1.657 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[C@H](C)O1 ZINC000550067243 325522410 /nfs/dbraw/zinc/52/24/10/325522410.db2.gz NQZAZPKYXSCYHP-MJDLHHQISA-N 1 0 240.347 1.199 10 0 BDAERO OC1CC(C[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000091661906 325688581 /nfs/dbraw/zinc/68/85/81/325688581.db2.gz LWGALJFFEQSZSQ-KGPNIALWSA-N 1 0 232.327 1.820 10 0 BDAERO C[C@]1(CNC(=O)C2CCC([NH3+])CC2)CCCO1 ZINC000083946150 487970473 /nfs/dbraw/zinc/97/04/73/487970473.db2.gz HEPZFPIGQNXWOQ-GCZXYKMCSA-N 1 0 240.347 1.189 10 0 BDAERO CC(C)Oc1cncc(N2CC[C@H]([NH3+])[C@@H]2C)n1 ZINC000310178115 326186313 /nfs/dbraw/zinc/18/63/13/326186313.db2.gz MSPCLOMWJKHHGC-UWVGGRQHSA-N 1 0 236.319 1.190 10 0 BDAERO CC1CC(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000567657767 326239804 /nfs/dbraw/zinc/23/98/04/326239804.db2.gz OWMGYPCIMGYBDG-ADPBJBESSA-N 1 0 224.348 1.476 10 0 BDAERO C[C@H](CC(C)(C)O)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000569093362 326389382 /nfs/dbraw/zinc/38/93/82/326389382.db2.gz LMITWSWNPQHFAG-UTUOFQBUSA-N 1 0 228.380 1.514 10 0 BDAERO CCOc1cncc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000165742349 326426019 /nfs/dbraw/zinc/42/60/19/326426019.db2.gz NGGNCIBIXXVHSQ-IUCAKERBSA-N 1 0 224.308 1.413 10 0 BDAERO Cc1nnc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000158752042 487974490 /nfs/dbraw/zinc/97/44/90/487974490.db2.gz DBHHRPGMFXYISB-SFYZADRCSA-N 1 0 240.332 1.160 10 0 BDAERO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCC1 ZINC000158795997 487976750 /nfs/dbraw/zinc/97/67/50/487976750.db2.gz XMVIZUGHUXOOKX-ONGXEEELSA-N 1 0 210.321 1.372 10 0 BDAERO CC(C)(C)C[NH2+]C1CCN(CCO)CC1 ZINC000309012823 487977042 /nfs/dbraw/zinc/97/70/42/487977042.db2.gz SMPMNFQGDFUPST-UHFFFAOYSA-N 1 0 214.353 1.079 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4C3)C[C@H]12 ZINC000310397418 487977588 /nfs/dbraw/zinc/97/75/88/487977588.db2.gz JXRSTLLLSIPTEJ-HTXLXMOSSA-N 1 0 234.343 1.228 10 0 BDAERO C[C@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C)C(C)(C)C ZINC000309568974 487985789 /nfs/dbraw/zinc/98/57/89/487985789.db2.gz NASHJCCXCXVFHZ-OUAUKWLOSA-N 1 0 226.364 1.925 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@@H]2CC=CCC2)CC1 ZINC000084067075 487991488 /nfs/dbraw/zinc/99/14/88/487991488.db2.gz RRYHQZCZKAKPEM-HTAVTVPLSA-N 1 0 222.332 1.729 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C)O2)CC[C@@H]1[NH3+] ZINC000147291100 487993996 /nfs/dbraw/zinc/99/39/96/487993996.db2.gz YBCJQVCIORFHOQ-USZNOCQGSA-N 1 0 240.347 1.140 10 0 BDAERO CC[C@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1[NH3+] ZINC000147313939 487999720 /nfs/dbraw/zinc/99/97/20/487999720.db2.gz IOXQRCLCXCPHTC-JGVFFNPUSA-N 1 0 238.253 1.525 10 0 BDAERO Cc1cncc(CN2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235679281 488003858 /nfs/dbraw/zinc/00/38/58/488003858.db2.gz XIZKWSCYUIOJBY-JQWIXIFHSA-N 1 0 205.305 1.169 10 0 BDAERO CN1C[C@@H](C[NH2+]C2CC3(CCC3)C2)CC1=O ZINC000668616139 488009576 /nfs/dbraw/zinc/00/95/76/488009576.db2.gz GYWQXLFGJWOFLG-SNVBAGLBSA-N 1 0 222.332 1.387 10 0 BDAERO OC[C@H]1COCC[N@@H+]1CC1CCCCC1 ZINC000159256986 488016956 /nfs/dbraw/zinc/01/69/56/488016956.db2.gz PERNUATXRYYNPD-LBPRGKRZSA-N 1 0 213.321 1.260 10 0 BDAERO 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1 0 236.315 1.228 10 0 BDAERO COc1ccccc1OCC[NH2+]C(C)(C)CO ZINC000112492836 588800225 /nfs/dbraw/zinc/80/02/25/588800225.db2.gz VAVOAHMAHRHRJZ-UHFFFAOYSA-N 1 0 239.315 1.435 10 0 BDAERO C[NH2+]Cc1sc([C@H](O)[C@@H]2C[C@@H]2C)nc1C ZINC000757123880 582498862 /nfs/dbraw/zinc/49/88/62/582498862.db2.gz BFVZVDFGVGCXJL-SKWCMTHISA-N 1 0 226.345 1.860 10 0 BDAERO C[NH2+]Cc1csc([C@@H](O)CC(C)C)n1 ZINC000757124907 582500271 /nfs/dbraw/zinc/50/02/71/582500271.db2.gz DNXAFMBOOWDYBB-VIFPVBQESA-N 1 0 214.334 1.942 10 0 BDAERO COCCN1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757128134 582502608 /nfs/dbraw/zinc/50/26/08/582502608.db2.gz IYJPTKYWGGZPFC-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757128351 582503204 /nfs/dbraw/zinc/50/32/04/582503204.db2.gz KOFVSVILGWRTBS-ZETCQYMHSA-N 1 0 200.307 1.396 10 0 BDAERO CN1CCc2cc(NC[C@@H](O)C3CC3)ccc21 ZINC000757129628 582504208 /nfs/dbraw/zinc/50/42/08/582504208.db2.gz MMWIDVCGFFACHB-CQSZACIVSA-N 1 0 232.327 1.862 10 0 BDAERO CCC[C@@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757129213 582504641 /nfs/dbraw/zinc/50/46/41/582504641.db2.gz MDTDPHWABFSDRF-MRVPVSSYSA-N 1 0 214.334 1.786 10 0 BDAERO Cc1nc([C@@H](O)C2(C)CC2)sc1CC[NH3+] ZINC000757131258 582505983 /nfs/dbraw/zinc/50/59/83/582505983.db2.gz RHFILDBBZQWIFN-SECBINFHSA-N 1 0 226.345 1.786 10 0 BDAERO [NH3+][C@H](CF)c1c(F)cccc1N1CCOCC1 ZINC000757134254 582511041 /nfs/dbraw/zinc/51/10/41/582511041.db2.gz NDRNUSJELKVEPI-SNVBAGLBSA-N 1 0 242.269 1.632 10 0 BDAERO C1CC1[C@@H]1CCO[C@@]2(CN3CCC2CC3)[NH2+]1 ZINC000757139379 582519805 /nfs/dbraw/zinc/51/98/05/582519805.db2.gz GTPLKZUSLJKCTG-QWHCGFSZSA-N 1 0 222.332 1.197 10 0 BDAERO CC(C)c1nccc(N2CC[C@@H]2C[NH3+])n1 ZINC000757139156 582519900 /nfs/dbraw/zinc/51/99/00/582519900.db2.gz ACCZKBGRTFTMHV-SECBINFHSA-N 1 0 206.293 1.137 10 0 BDAERO C1CC1[C@H]1CC[NH2+][C@]2(CCCSC2)O1 ZINC000757140894 582521487 /nfs/dbraw/zinc/52/14/87/582521487.db2.gz CINMOUIYTFGRML-GHMZBOCLSA-N 1 0 213.346 1.998 10 0 BDAERO 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[NH3+]C[C@@H]1CC(=O)Nc2cc(F)c(Cl)cc21 ZINC000757175937 582553273 /nfs/dbraw/zinc/55/32/73/582553273.db2.gz NNFGBCDWOODQRY-YFKPBYRVSA-N 1 0 228.654 1.864 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)o1 ZINC000757192525 582556970 /nfs/dbraw/zinc/55/69/70/582556970.db2.gz ZFEMSYOEGUMBJW-YUMQZZPRSA-N 1 0 243.690 1.799 10 0 BDAERO Cc1nn(CC(F)(F)F)cc1C(N)=[NH2+] ZINC000757196076 582558238 /nfs/dbraw/zinc/55/82/38/582558238.db2.gz PITPKBZVSMWYEJ-UHFFFAOYSA-N 1 0 206.171 1.038 10 0 BDAERO [NH3+][C@@H]1CCCN[C@H]1c1cccc2cc[nH]c21 ZINC000757217817 582561608 /nfs/dbraw/zinc/56/16/08/582561608.db2.gz SQEHKOFJMCHYHT-YPMHNXCESA-N 1 0 215.300 1.920 10 0 BDAERO C[C@@H]1C[C@@H](C(=O)[O-])C[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757217821 582561867 /nfs/dbraw/zinc/56/18/67/582561867.db2.gz SRASQISPNQAEJI-WQAKAFBOSA-N 1 0 248.326 1.659 10 0 BDAERO C[C@@H]1CCN[C@@H](c2cccc(N)c2)[C@@H]1[NH3+] ZINC000757218019 582562324 /nfs/dbraw/zinc/56/23/24/582562324.db2.gz USJVXNGEEJYDDB-FXAINCCUSA-N 1 0 205.305 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BDAERO COc1cccc([C@@H]2CC[NH+]=C(N)N2)c1 ZINC000039375598 582675554 /nfs/dbraw/zinc/67/55/54/582675554.db2.gz YUVBQCMMMXVRAT-JTQLQIEISA-N 1 0 205.261 1.044 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2C[C@H]2[NH3+])C1 ZINC000259218191 582813254 /nfs/dbraw/zinc/81/32/54/582813254.db2.gz JTZPMOKTICLZRH-GARJFASQSA-N 1 0 240.347 1.981 10 0 BDAERO c1nc2c([nH]1)[C@@H]([C@@H]1CCCOC1)[NH2+]CC2 ZINC000259479018 582834397 /nfs/dbraw/zinc/83/43/97/582834397.db2.gz NCZYTMRHQUMHGQ-PSASIEDQSA-N 1 0 207.277 1.023 10 0 BDAERO CCc1cnc([C@@H](O)[C@@H](C)C[NH3+])s1 ZINC000394939690 583026569 /nfs/dbraw/zinc/02/65/69/583026569.db2.gz WHVYVXWVPSNPHG-XPUUQOCRSA-N 1 0 200.307 1.334 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)CCCOC)C1 ZINC000395429079 583057684 /nfs/dbraw/zinc/05/76/84/583057684.db2.gz YKXYLOICMKPTAB-QWHCGFSZSA-N 1 0 244.379 1.112 10 0 BDAERO C[C@H]([NH2+]C1CCN(CCO)CC1)[C@@H]1CC1(C)C ZINC000399010505 583169125 /nfs/dbraw/zinc/16/91/25/583169125.db2.gz XGWUINMBPNRTOT-AAEUAGOBSA-N 1 0 240.391 1.467 10 0 BDAERO CC1(C)OCC([NH2+]CCc2ccccc2)CO1 ZINC000221272824 583177322 /nfs/dbraw/zinc/17/73/22/583177322.db2.gz GDOMVAZHDKHDCD-UHFFFAOYSA-N 1 0 235.327 1.970 10 0 BDAERO CCc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(C)n1 ZINC000180427117 585032935 /nfs/dbraw/zinc/03/29/35/585032935.db2.gz JPBBWGKMYFYFLI-CYBMUJFWSA-N 1 0 246.358 1.632 10 0 BDAERO Cc1nc([C@H](O)C(F)F)sc1CC[NH3+] ZINC000757123965 586426592 /nfs/dbraw/zinc/42/65/92/586426592.db2.gz BNOHLNALIKTTIR-ZCFIWIBFSA-N 1 0 222.260 1.251 10 0 BDAERO CC(C)(C)[C@H]1CCOC2(CC[NH2+]CC2)N1 ZINC000757139719 586427546 /nfs/dbraw/zinc/42/75/46/586427546.db2.gz JJDUQTAUMZMEQS-SNVBAGLBSA-N 1 0 212.337 1.491 10 0 BDAERO C1CC1[C@@H]1CCOC2(CCSCC2)[NH2+]1 ZINC000757145681 586428377 /nfs/dbraw/zinc/42/83/77/586428377.db2.gz QDRHBSJTVVVZRV-JTQLQIEISA-N 1 0 213.346 1.998 10 0 BDAERO CC1(C)C[NH2+][C@]2(CCCOC2)O[C@@]12CCOC2 ZINC000757144062 586428383 /nfs/dbraw/zinc/42/83/83/586428383.db2.gz NFGQBRKKBGKOIP-CHWSQXEVSA-N 1 0 241.331 1.298 10 0 BDAERO CC(C)(C)c1nsc(N2CC[C@@H]2C[NH3+])n1 ZINC000757151536 586428695 /nfs/dbraw/zinc/42/86/95/586428695.db2.gz PZZZGEAFNAMWSD-SSDOTTSWSA-N 1 0 226.349 1.373 10 0 BDAERO CCC[C@H]1CC[NH2+][C@@]2(CN3CCC2CC3)O1 ZINC000757152858 586429625 /nfs/dbraw/zinc/42/96/25/586429625.db2.gz UGUJXTWYWCXLPW-STQMWFEESA-N 1 0 224.348 1.587 10 0 BDAERO CC(C)C[C@@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757154399 586429852 /nfs/dbraw/zinc/42/98/52/586429852.db2.gz YGIHBMURRXEJID-LLVKDONJSA-N 1 0 248.392 1.176 10 0 BDAERO FC1(F)CNC2(CC[NH+](C3CC3)CC2)OC1 ZINC000757154166 586429908 /nfs/dbraw/zinc/42/99/08/586429908.db2.gz ZDEDUEOHBNIMJU-UHFFFAOYSA-N 1 0 232.274 1.196 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@]12CCCSC2 ZINC000757183435 586434076 /nfs/dbraw/zinc/43/40/76/586434076.db2.gz CCVCHBSAXFVROR-MWLCHTKSSA-N 1 0 229.345 1.282 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccsc1 ZINC000757188876 586435219 /nfs/dbraw/zinc/43/52/19/586435219.db2.gz KZFQVCJTHOYHSC-NXEZZACHSA-N 1 0 225.313 1.614 10 0 BDAERO COc1cccc(C2(C[NH3+])CC(F)(F)C2)n1 ZINC000757192559 586436036 /nfs/dbraw/zinc/43/60/36/586436036.db2.gz WCAGVBKNRHNHJY-UHFFFAOYSA-N 1 0 228.242 1.716 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ncccc1F ZINC000757192344 586436129 /nfs/dbraw/zinc/43/61/29/586436129.db2.gz YRUTZQLNOKLNNW-DTWKUNHWSA-N 1 0 238.262 1.087 10 0 BDAERO [NH3+]C[C@@H]1CC[NH2+][C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757208640 586437866 /nfs/dbraw/zinc/43/78/66/586437866.db2.gz AKAGHPRTAIRORE-BXKDBHETSA-N 1 0 234.299 1.384 10 0 BDAERO C[C@@H]1C[C@H](c2ccc(C=O)s2)NC[C@H]1[NH3+] ZINC000757210652 586438497 /nfs/dbraw/zinc/43/84/97/586438497.db2.gz GMAQZPAKPPXIOM-SZEHBUNVSA-N 1 0 224.329 1.558 10 0 BDAERO CCc1cncc(S(=O)(=O)CC[C@H](C)[NH3+])c1 ZINC000757210151 586438510 /nfs/dbraw/zinc/43/85/10/586438510.db2.gz KHUHYCAVUXVFAZ-VIFPVBQESA-N 1 0 242.344 1.155 10 0 BDAERO [NH3+][C@H]1CC[C@@H](c2cccc3cc[nH]c32)NC1 ZINC000757213631 586439850 /nfs/dbraw/zinc/43/98/50/586439850.db2.gz LGBOEFDMKBOAFS-JQWIXIFHSA-N 1 0 215.300 1.920 10 0 BDAERO [NH3+][C@@H]1CCN[C@H](c2ccc(C=O)s2)C1 ZINC000757215287 586440874 /nfs/dbraw/zinc/44/08/74/586440874.db2.gz NLCKDAXOUJFWFQ-APPZFPTMSA-N 1 0 210.302 1.312 10 0 BDAERO [NH3+]Cc1ccc([C@H]2CC[C@H](C(=O)[O-])[NH2+]C2)cc1 ZINC000757217138 586441269 /nfs/dbraw/zinc/44/12/69/586441269.db2.gz RITIINJTCYGUIS-NWDGAFQWSA-N 1 0 234.299 1.066 10 0 BDAERO CCOC(=O)[C@H]1CCC[NH2+][C@H]1c1cccc(N)c1 ZINC000757217142 586441416 /nfs/dbraw/zinc/44/14/16/586441416.db2.gz RFWJFLUUPUMVHZ-STQMWFEESA-N 1 0 248.326 1.873 10 0 BDAERO CC(=O)c1cccc([C@@H]2CC[C@H]([NH3+])CN2)c1 ZINC000757217589 586441671 /nfs/dbraw/zinc/44/16/71/586441671.db2.gz SOSNSPIFZCNQKJ-STQMWFEESA-N 1 0 218.300 1.641 10 0 BDAERO [NH3+][C@H]1CC[C@@H](c2ccc(C=O)s2)NC1 ZINC000757220805 586442153 /nfs/dbraw/zinc/44/21/53/586442153.db2.gz ZNUHAIHLLBYYAY-CBAPKCEASA-N 1 0 210.302 1.312 10 0 BDAERO [NH3+]C[C@@H]1CCC[NH2+][C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757219407 586442396 /nfs/dbraw/zinc/44/23/96/586442396.db2.gz YREDPBPBJPOKGD-NWDGAFQWSA-N 1 0 234.299 1.384 10 0 BDAERO Cn1cc(-c2ccc(N)c3c2CC[NH2+]C3)cn1 ZINC000757239636 586444233 /nfs/dbraw/zinc/44/42/33/586444233.db2.gz VAXBUFWVHYLSDN-UHFFFAOYSA-N 1 0 228.299 1.315 10 0 BDAERO C[C@@H]1CCN[C@H](c2cnn(C(C)(C)C)c2)[C@@H]1[NH3+] ZINC000757239597 586444300 /nfs/dbraw/zinc/44/43/00/586444300.db2.gz UYIYLCSXZIXBOM-YUSALJHKSA-N 1 0 236.363 1.636 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](c2ccc(C(=O)[O-])cc2)[NH2+]C1 ZINC000757243123 586445291 /nfs/dbraw/zinc/44/52/91/586445291.db2.gz ZKUXTRDLBGNEHV-BXKDBHETSA-N 1 0 234.299 1.384 10 0 BDAERO C[C@H]([NH3+])CCc1nc(Cc2ccncc2)no1 ZINC000109508984 588564549 /nfs/dbraw/zinc/56/45/49/588564549.db2.gz AMJCOCZTDJGGBI-VIFPVBQESA-N 1 0 232.287 1.335 10 0 BDAERO COC(=O)[C@](C)([NH3+])C[C@H](C)n1nccc1C ZINC000203547000 589247022 /nfs/dbraw/zinc/24/70/22/589247022.db2.gz DZGCZVIDBWKQHW-GXSJLCMTSA-N 1 0 225.292 1.033 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1CC[C@@H]1CCOC1=O ZINC000120701212 589457812 /nfs/dbraw/zinc/45/78/12/589457812.db2.gz OFQHLZUHUTVLLP-GMTAPVOTSA-N 1 0 227.304 1.049 10 0 BDAERO Cn1ccnc1-c1noc([C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000122175122 589560623 /nfs/dbraw/zinc/56/06/23/589560623.db2.gz GOICHYNYKUXATF-DTWKUNHWSA-N 1 0 247.302 1.313 10 0 BDAERO [NH3+][C@@H](CC(=O)N[C@@H]1COc2ccccc21)C1CC1 ZINC000124059983 589919162 /nfs/dbraw/zinc/91/91/62/589919162.db2.gz QHEYOWCFPIZZOC-NWDGAFQWSA-N 1 0 246.310 1.364 10 0 BDAERO CCC[C@@H](C(=O)NCC(C)(C)SC)[NH+](C)C ZINC000125233142 590157250 /nfs/dbraw/zinc/15/72/50/590157250.db2.gz NHZMFGMOKLQVFG-JTQLQIEISA-N 1 0 246.420 1.975 10 0 BDAERO Cc1cc2c(ncnc2N(C)[C@H](C)C[NH3+])s1 ZINC000125505725 590166694 /nfs/dbraw/zinc/16/66/94/590166694.db2.gz LTQXFMFVJVGBRJ-SSDOTTSWSA-N 1 0 236.344 1.783 10 0 BDAERO C(c1noc([C@@H]2CCC[NH2+]2)n1)[C@@H]1CCCO1 ZINC000021795144 590229714 /nfs/dbraw/zinc/22/97/14/590229714.db2.gz JLEXAAABAKATIM-IUCAKERBSA-N 1 0 223.276 1.216 10 0 BDAERO [NH3+]C[C@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000126469987 590314870 /nfs/dbraw/zinc/31/48/70/590314870.db2.gz KCNMQALDMLTFLO-MRVPVSSYSA-N 1 0 226.711 1.305 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCSC1 ZINC000128270799 590955249 /nfs/dbraw/zinc/95/52/49/590955249.db2.gz RPJFDKYZAPATDL-ZJUUUORDSA-N 1 0 217.378 1.879 10 0 BDAERO CC[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)C(C)C ZINC000129838825 591412481 /nfs/dbraw/zinc/41/24/81/591412481.db2.gz AQXJBOPXZLJOLC-MNOVXSKESA-N 1 0 212.337 1.665 10 0 BDAERO CC(C)CNC(=S)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000130399960 591463302 /nfs/dbraw/zinc/46/33/02/591463302.db2.gz HDJRHIDYJYBNTF-WDEREUQCSA-N 1 0 243.420 1.399 10 0 BDAERO CO[C@H](c1noc(CC[C@H](C)[NH3+])n1)C1CC1 ZINC000131234447 591573972 /nfs/dbraw/zinc/57/39/72/591573972.db2.gz UZOWZVAZEYVVEO-XVKPBYJWSA-N 1 0 225.292 1.447 10 0 BDAERO CO[C@@H](c1noc(CCC[NH3+])n1)C1CC1 ZINC000131258834 591579550 /nfs/dbraw/zinc/57/95/50/591579550.db2.gz CWADWZSZVYWJAA-SECBINFHSA-N 1 0 211.265 1.058 10 0 BDAERO [NH3+]CC1(C(=O)NCCC2CCC2)CCOCC1 ZINC000134146951 591893543 /nfs/dbraw/zinc/89/35/43/591893543.db2.gz LTVXYLRILYFHSO-UHFFFAOYSA-N 1 0 240.347 1.048 10 0 BDAERO C[C@H]1OCC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000134257616 591907277 /nfs/dbraw/zinc/90/72/77/591907277.db2.gz UJUZJYDRXRUJBX-GHMZBOCLSA-N 1 0 228.336 1.189 10 0 BDAERO C[C@@H]1CN(C(=O)N2CCCCC2)C[C@H](C)[N@H+]1C ZINC000135268561 592000210 /nfs/dbraw/zinc/00/02/10/592000210.db2.gz GWIJLBHIEYRZCB-TXEJJXNPSA-N 1 0 239.363 1.617 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1ccncc1 ZINC000136365175 592109047 /nfs/dbraw/zinc/10/90/47/592109047.db2.gz MYRBDJYPYYBUCU-GFCCVEGCSA-N 1 0 235.331 1.114 10 0 BDAERO O[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCC3)[C@H]1n1cccn1 ZINC000886096751 592147690 /nfs/dbraw/zinc/14/76/90/592147690.db2.gz CYOKYOKOLWGJCV-QNWHQSFQSA-N 1 0 247.342 1.480 10 0 BDAERO C[C@@H]1CC[C@](C[NH3+])(OCCO)[C@H](C)C1 ZINC000300034306 592500563 /nfs/dbraw/zinc/50/05/63/592500563.db2.gz UPKIFUYIEQOSPF-GMTAPVOTSA-N 1 0 201.310 1.149 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]CCS(=O)(=O)CC ZINC000300376244 592509574 /nfs/dbraw/zinc/50/95/74/592509574.db2.gz DPCBONZTJZITRZ-ZJUUUORDSA-N 1 0 219.350 1.199 10 0 BDAERO CCO[C@@H](C[NH3+])c1ncc(Cl)s1 ZINC000223297974 592526854 /nfs/dbraw/zinc/52/68/54/592526854.db2.gz FETPKCXOIQJIGZ-YFKPBYRVSA-N 1 0 206.698 1.833 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2COCC2(C)C)C1 ZINC000313071239 634444835 /nfs/dbraw/zinc/44/48/35/634444835.db2.gz FFMLCQXLHSNYRO-QWRGUYRKSA-N 1 0 212.337 1.095 10 0 BDAERO Cc1cc(N2CCC[C@@]23CC[NH2+]C3)ncn1 ZINC000257711624 634477529 /nfs/dbraw/zinc/47/75/29/634477529.db2.gz NVGPHSFKDLWMRD-LBPRGKRZSA-N 1 0 218.304 1.117 10 0 BDAERO CCN(CCC[NH+](C)C)C(=O)n1ccnc1 ZINC000230741233 635492637 /nfs/dbraw/zinc/49/26/37/635492637.db2.gz AMTOUNDAVYALQN-UHFFFAOYSA-N 1 0 224.308 1.125 10 0 BDAERO CC/C=C(/C)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000231473721 635501108 /nfs/dbraw/zinc/50/11/08/635501108.db2.gz NVWHCOUBCFHMNU-HUMZTAOYSA-N 1 0 224.348 1.943 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1occc1Br ZINC000308272581 631236399 /nfs/dbraw/zinc/23/63/99/631236399.db2.gz SWLGDFULZZJZQM-NKWVEPMBSA-N 1 0 248.120 1.901 10 0 BDAERO COC1CC([NH2+][C@@H](C)COC(C)C)C1 ZINC000308473679 631355532 /nfs/dbraw/zinc/35/55/32/631355532.db2.gz AIRZLJRZOUWGQV-WHXUTIOJSA-N 1 0 201.310 1.567 10 0 BDAERO CCCOC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000308461408 631357966 /nfs/dbraw/zinc/35/79/66/631357966.db2.gz QXBQMYMSAFHWRO-SECBINFHSA-N 1 0 200.282 1.169 10 0 BDAERO C[C@@H]1C[C@H]1c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000083805804 631430595 /nfs/dbraw/zinc/43/05/95/631430595.db2.gz ZJQWNSMQZZEAEY-KXUCPTDWSA-N 1 0 221.304 1.735 10 0 BDAERO CC(C)c1cc(NCC2CC([NH3+])C2)ncn1 ZINC000084448013 631439166 /nfs/dbraw/zinc/43/91/66/631439166.db2.gz MFWWIDPMHVOCAF-UHFFFAOYSA-N 1 0 220.320 1.749 10 0 BDAERO [NH3+]C1CC(CNc2ccc(Cl)cn2)C1 ZINC000084447858 631441143 /nfs/dbraw/zinc/44/11/43/631441143.db2.gz DHEJDZSRAOGMOS-UHFFFAOYSA-N 1 0 211.696 1.884 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@H]2Cc3ccccc32)n1 ZINC000090986765 631486144 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632709919 /nfs/dbraw/zinc/70/99/19/632709919.db2.gz VXOCTELMFRMOGM-LLVKDONJSA-N 1 0 238.335 1.397 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000310301497 632718398 /nfs/dbraw/zinc/71/83/98/632718398.db2.gz BPFPTZWQVGBHLM-BFHYXJOUSA-N 1 0 239.359 1.839 10 0 BDAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)n1ccnc1 ZINC000309233973 632830424 /nfs/dbraw/zinc/83/04/24/632830424.db2.gz LFIPHISYZPAMEJ-SNVBAGLBSA-N 1 0 224.308 1.170 10 0 BDAERO C[C@H](C[NH2+]C[C@H](O)c1cccnc1)C1CC1 ZINC000309318681 632929619 /nfs/dbraw/zinc/92/96/19/632929619.db2.gz DQZPPKCSHFXFCR-MFKMUULPSA-N 1 0 220.316 1.751 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(CC(F)(F)C(F)F)C[C@@H]12 ZINC000309361830 632973675 /nfs/dbraw/zinc/97/36/75/632973675.db2.gz OVTYIRAUBJYSQP-BWZBUEFSSA-N 1 0 240.244 1.556 10 0 BDAERO [NH3+]CCCn1cc(-c2cncc(F)c2)cn1 ZINC000309372664 632988646 /nfs/dbraw/zinc/98/86/46/632988646.db2.gz BLLLBROLXHEEBR-UHFFFAOYSA-N 1 0 220.251 1.433 10 0 BDAERO OCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H]1O 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ZINC000166616459 633119570 /nfs/dbraw/zinc/11/95/70/633119570.db2.gz BBFYOXHXINVYQZ-STQMWFEESA-N 1 0 249.310 1.561 10 0 BDAERO CNC(=O)[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)C(C)C ZINC000309588441 633208247 /nfs/dbraw/zinc/20/82/47/633208247.db2.gz SZNVZHLRAVIBHK-QJPTWQEYSA-N 1 0 226.364 1.781 10 0 BDAERO C[C@@H]1C[C@@H](O)CN(Cc2cnc(Cl)s2)C1 ZINC000307385061 635987717 /nfs/dbraw/zinc/98/77/17/635987717.db2.gz HLYQIHBMNKUVFF-HTQZYQBOSA-N 1 0 246.763 1.999 10 0 BDAERO C[C@@H]([NH2+]Cc1cccnc1Cl)[C@H](C)O ZINC000308473635 633728669 /nfs/dbraw/zinc/72/86/69/633728669.db2.gz AHSYDQLCYXNIEJ-SFYZADRCSA-N 1 0 214.696 1.594 10 0 BDAERO CCON1CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000323389920 633793231 /nfs/dbraw/zinc/79/32/31/633793231.db2.gz RHLUJFYBUOHGHM-JQWIXIFHSA-N 1 0 228.336 1.169 10 0 BDAERO C[C@H]1CC[C@@H](C(=O)NNc2cc[nH+]cc2)O1 ZINC000180511995 633892405 /nfs/dbraw/zinc/89/24/05/633892405.db2.gz WJWVQAPDMLKQIF-WPRPVWTQSA-N 1 0 221.260 1.092 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ncc[nH]2)C1 ZINC000309927814 633948484 /nfs/dbraw/zinc/94/84/84/633948484.db2.gz WEXHBVCBZBEPKU-GARJFASQSA-N 1 0 222.336 1.401 10 0 BDAERO CCCCCCC(=O)NCC[C@@H](C)[NH3+] ZINC000162314683 633982564 /nfs/dbraw/zinc/98/25/64/633982564.db2.gz RUUKWVUJMSLPJE-SNVBAGLBSA-N 1 0 200.326 1.810 10 0 BDAERO C[C@@H](c1noc([C@H]2CC[NH2+]C2)n1)C1CC1 ZINC000310041723 634108884 /nfs/dbraw/zinc/10/88/84/634108884.db2.gz YXPZGEMLDPHLGH-APPZFPTMSA-N 1 0 207.277 1.660 10 0 BDAERO COC1(CC[NH2+]C(C)(C)CO)CCC1 ZINC000310560865 634161795 /nfs/dbraw/zinc/16/17/95/634161795.db2.gz JSMLGGXSXIWIBH-UHFFFAOYSA-N 1 0 201.310 1.306 10 0 BDAERO CCC[C@H](O)C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308345713 634321774 /nfs/dbraw/zinc/32/17/74/634321774.db2.gz OMRIFUDBKGDIAK-TUAOUCFPSA-N 1 0 227.348 1.695 10 0 BDAERO CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CCCO1 ZINC000220681373 635186091 /nfs/dbraw/zinc/18/60/91/635186091.db2.gz LJCYVXIDYMXLMZ-NSHDSACASA-N 1 0 212.337 1.239 10 0 BDAERO OCC1(C[NH2+]CCc2ccccc2)CCC1 ZINC000258686488 635187754 /nfs/dbraw/zinc/18/77/54/635187754.db2.gz PWQHMIQJQRQBJR-UHFFFAOYSA-N 1 0 219.328 1.981 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCCOC[C@@H]1C ZINC000399326166 635242489 /nfs/dbraw/zinc/24/24/89/635242489.db2.gz MHYWCLOVXGFVJW-STQMWFEESA-N 1 0 245.363 1.275 10 0 BDAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@@H](C)O ZINC000336776472 635288566 /nfs/dbraw/zinc/28/85/66/635288566.db2.gz FXNZXZRWIRQGQO-OPRDCNLKSA-N 1 0 231.336 1.466 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccncc2C#N)C1 ZINC000399061718 636067849 /nfs/dbraw/zinc/06/78/49/636067849.db2.gz ZAVDSFRDTNWWFS-GHMZBOCLSA-N 1 0 230.315 1.517 10 0 BDAERO c1cnc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)nc1 ZINC000054301436 636349693 /nfs/dbraw/zinc/34/96/93/636349693.db2.gz RDLLHUCTCQJVNC-SECBINFHSA-N 1 0 245.286 1.069 10 0 BDAERO CC[N@@H+]1CCCN(C(=O)OC(C)C)[C@H](C)C1 ZINC000320681870 636352887 /nfs/dbraw/zinc/35/28/87/636352887.db2.gz LKLGLJNXCCXPGC-LLVKDONJSA-N 1 0 228.336 1.948 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3ccco3)C[C@H]12 ZINC000310869584 636681660 /nfs/dbraw/zinc/68/16/60/636681660.db2.gz TWZLIUWPJFUOGC-UCUZNLKYSA-N 1 0 246.310 1.489 10 0 BDAERO COC(=O)[C@H]1C[N@H+](Cc2cccc(C)n2)C[C@H]1C ZINC000250993778 636756115 /nfs/dbraw/zinc/75/61/15/636756115.db2.gz DMIKMUATSWMJTF-MFKMUULPSA-N 1 0 248.326 1.631 10 0 BDAERO C[C@H]1OCC[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000149139236 638149934 /nfs/dbraw/zinc/14/99/34/638149934.db2.gz QEXYNXBOFWAMBI-SKDRFNHKSA-N 1 0 234.299 1.053 10 0 BDAERO CCCCCCNC(=O)C1([NH3+])CCOCC1 ZINC000149660115 639041148 /nfs/dbraw/zinc/04/11/48/639041148.db2.gz BLBLBZCASRIJEE-UHFFFAOYSA-N 1 0 228.336 1.191 10 0 BDAERO CCCc1nc([C@H]2CCC[NH2+]C2)n(C)n1 ZINC000054697470 640302711 /nfs/dbraw/zinc/30/27/11/640302711.db2.gz WLGWJYXBVPHION-VIFPVBQESA-N 1 0 208.309 1.235 10 0 BDAERO CC(C)c1nc(CCC(C)(C)[NH3+])n(C)n1 ZINC000054697878 640305865 /nfs/dbraw/zinc/30/58/65/640305865.db2.gz LZFVJULOGVZYSI-UHFFFAOYSA-N 1 0 210.325 1.608 10 0 BDAERO CCc1nc(C2([NH3+])CCCCCC2)n(C)n1 ZINC000054696858 640306833 /nfs/dbraw/zinc/30/68/33/640306833.db2.gz WWKRKTYLGAAYBZ-UHFFFAOYSA-N 1 0 222.336 1.886 10 0 BDAERO Cn1nc(C(C)(C)C)nc1[C@H]1CCCC[NH2+]1 ZINC000054698765 640318722 /nfs/dbraw/zinc/31/87/22/640318722.db2.gz DZUAVRNVRAASNQ-SECBINFHSA-N 1 0 222.336 1.927 10 0 BDAERO Cn1nc(C(C)(C)C)nc1[C@H]1CCC[NH2+]1 ZINC000054698762 640318746 /nfs/dbraw/zinc/31/87/46/640318746.db2.gz YFILWVHTBVAUEA-MRVPVSSYSA-N 1 0 208.309 1.537 10 0 BDAERO CC(C)Cc1nc([C@H]([NH3+])C2CC2)n(C)n1 ZINC000054698888 640319352 /nfs/dbraw/zinc/31/93/52/640319352.db2.gz XDDYNJNQQYIUAK-SNVBAGLBSA-N 1 0 208.309 1.423 10 0 BDAERO CCN(c1ncncc1Cl)[C@H]1CC[NH2+]C1 ZINC000163680625 640404421 /nfs/dbraw/zinc/40/44/21/640404421.db2.gz MKMVDNFDSCPPST-QMMMGPOBSA-N 1 0 226.711 1.318 10 0 BDAERO CCOC(C[N@@H+]1CC[C@@H](CCO)C1)OCC ZINC000163993745 640433302 /nfs/dbraw/zinc/43/33/02/640433302.db2.gz UGCYEMKNMGUGCK-NSHDSACASA-N 1 0 231.336 1.090 10 0 BDAERO CC[NH2+]CC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000044647935 640446123 /nfs/dbraw/zinc/44/61/23/640446123.db2.gz RXUHYVSASLEQPZ-QMMMGPOBSA-N 1 0 242.269 1.752 10 0 BDAERO C(CC1CC1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000157110977 640573005 /nfs/dbraw/zinc/57/30/05/640573005.db2.gz XBJSAPNIPSTLCA-ZDUSSCGKSA-N 1 0 208.349 1.957 10 0 BDAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc[nH]1 ZINC000165413250 640575645 /nfs/dbraw/zinc/57/56/45/640575645.db2.gz FGTPZDNIQCSNEM-CMPLNLGQSA-N 1 0 223.320 1.560 10 0 BDAERO CCC[C@@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698544 640710765 /nfs/dbraw/zinc/71/07/65/640710765.db2.gz SKEWLOUBWLOAOS-MRVPVSSYSA-N 1 0 210.325 1.913 10 0 BDAERO CCOc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)ncn1 ZINC000227651933 640843955 /nfs/dbraw/zinc/84/39/55/640843955.db2.gz KKWDGFAQQQGDJV-ZJUUUORDSA-N 1 0 236.319 1.415 10 0 BDAERO C([C@H]1CCC[NH2+]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000227649209 640844110 /nfs/dbraw/zinc/84/41/10/640844110.db2.gz NVBGWDLYLMMBEU-AGIUHOORSA-N 1 0 224.348 1.382 10 0 BDAERO 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BDAERO COc1cc(N(C)CCCCCC[NH3+])ncn1 ZINC000710797337 712257558 /nfs/dbraw/zinc/25/75/58/712257558.db2.gz GWEDHXFHYQNECQ-UHFFFAOYSA-N 1 0 238.335 1.441 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000711465860 712302119 /nfs/dbraw/zinc/30/21/19/712302119.db2.gz CDWASRFDVBPPRA-NEPJUHHUSA-N 1 0 233.327 1.455 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](CF)C2)C1 ZINC000711473149 712303257 /nfs/dbraw/zinc/30/32/57/712303257.db2.gz XVPCILCGGZRVPQ-QJPTWQEYSA-N 1 0 215.312 1.829 10 0 BDAERO CO[C@H]1C[NH2+][C@](C)(c2nc(C(C)C)no2)C1 ZINC000702730089 712365050 /nfs/dbraw/zinc/36/50/50/712365050.db2.gz BRXBHRLAEDSBTG-KCJUWKMLSA-N 1 0 225.292 1.417 10 0 BDAERO COCC1CC([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000713918170 712472690 /nfs/dbraw/zinc/47/26/90/712472690.db2.gz SPQZVLXFXCZOOG-BMQDGWLCSA-N 1 0 223.320 1.496 10 0 BDAERO COCC1CC([NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000713918172 712472733 /nfs/dbraw/zinc/47/27/33/712472733.db2.gz SPQZVLXFXCZOOG-GRZMOONWSA-N 1 0 223.320 1.496 10 0 BDAERO COCC1CC([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000713928396 712473218 /nfs/dbraw/zinc/47/32/18/712473218.db2.gz ODHZHKTYYZICOC-RQEIOUPZSA-N 1 0 227.348 1.957 10 0 BDAERO COCC1CC(NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000713943629 712474187 /nfs/dbraw/zinc/47/41/87/712474187.db2.gz AXNLESSDMGJSLI-MOENNCHZSA-N 1 0 240.347 1.060 10 0 BDAERO COCC1CC([NH2+]Cc2ncc(C)s2)C1 ZINC000713961226 712475026 /nfs/dbraw/zinc/47/50/26/712475026.db2.gz SVXJSNIFZFYTIM-UHFFFAOYSA-N 1 0 226.345 1.966 10 0 BDAERO COCC1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000713997336 712476789 /nfs/dbraw/zinc/47/67/89/712476789.db2.gz IAVDAUJTVCGDAI-UHFFFAOYSA-N 1 0 223.320 1.243 10 0 BDAERO COCC1CC([NH2+]Cc2ncnn2C(C)C)C1 ZINC000714006944 712477159 /nfs/dbraw/zinc/47/71/59/712477159.db2.gz JPTRRLLDPGEMBG-UHFFFAOYSA-N 1 0 238.335 1.374 10 0 BDAERO COCC1CC([NH2+]C2CCN(C)CC2)C1 ZINC000713996098 712477163 /nfs/dbraw/zinc/47/71/63/712477163.db2.gz PPUIKTXOTSYOGK-UHFFFAOYSA-N 1 0 212.337 1.095 10 0 BDAERO Cc1ccsc1C(=O)NCC1CC([NH3+])C1 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Cc1nc([C@H](C)[NH2+]C2CC(C(N)=O)C2)cs1 ZINC000716770409 712572829 /nfs/dbraw/zinc/57/28/29/712572829.db2.gz RFMYQFNLTHCLHL-GVWIPJJGSA-N 1 0 239.344 1.366 10 0 BDAERO Cc1ccc(C[NH2+]C2CC(C(N)=O)C2)cc1F ZINC000716782298 712573143 /nfs/dbraw/zinc/57/31/43/712573143.db2.gz AVEHWMDXEQKEDP-UHFFFAOYSA-N 1 0 236.290 1.488 10 0 BDAERO C[C@H](O)[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000717350903 712649911 /nfs/dbraw/zinc/64/99/11/712649911.db2.gz CZEOBCPENQIYMZ-HOTUBEGUSA-N 1 0 243.734 1.732 10 0 BDAERO Cn1c(Cl)cnc1C[NH2+]CC[C@@H]1CCCO1 ZINC000038097239 712807819 /nfs/dbraw/zinc/80/78/19/712807819.db2.gz VLZAJOTUGOUHDG-VIFPVBQESA-N 1 0 243.738 1.732 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720418729 712841331 /nfs/dbraw/zinc/84/13/31/712841331.db2.gz QGUAPPBOTSCDIW-QWRGUYRKSA-N 1 0 201.310 1.258 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2cnc[nH]2)C[C@H](C)O1 ZINC000381267000 710614991 /nfs/dbraw/zinc/61/49/91/710614991.db2.gz UKKVJKHCMAQMIZ-UWVGGRQHSA-N 1 0 223.320 1.703 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccns1 ZINC000722746749 710720841 /nfs/dbraw/zinc/72/08/41/710720841.db2.gz ZJSYRXCOBZDPHM-BDAKNGLRSA-N 1 0 239.344 1.272 10 0 BDAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000722836581 710721922 /nfs/dbraw/zinc/72/19/22/710721922.db2.gz YWMFCJSCFRORBN-CMPLNLGQSA-N 1 0 235.331 1.692 10 0 BDAERO Cc1cnc(NC[C@@H]2C[NH2+]C[C@H]2C)nc1C ZINC000723823985 710732708 /nfs/dbraw/zinc/73/27/08/710732708.db2.gz AWRYYPVWPLSUKW-KOLCDFICSA-N 1 0 220.320 1.361 10 0 BDAERO Cc1ccnc(NC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000723809479 710732791 /nfs/dbraw/zinc/73/27/91/710732791.db2.gz FWFXHSHNPRRBNL-SCZZXKLOSA-N 1 0 206.293 1.052 10 0 BDAERO Cc1cnc(CN[C@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000724073570 710736922 /nfs/dbraw/zinc/73/69/22/710736922.db2.gz PGAGYMCDZMMNLB-OLZOCXBDSA-N 1 0 233.359 1.929 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000724971950 710751688 /nfs/dbraw/zinc/75/16/88/710751688.db2.gz ACDPSEVKBMCIBO-OLZOCXBDSA-N 1 0 241.331 1.093 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724986275 710753723 /nfs/dbraw/zinc/75/37/23/710753723.db2.gz PVBCXIQMQZMQLS-OLZOCXBDSA-N 1 0 243.347 1.029 10 0 BDAERO c1cc2c([nH]1)CCC[C@H]2[NH2+]Cc1cnc[nH]1 ZINC000381201761 710609433 /nfs/dbraw/zinc/60/94/33/710609433.db2.gz FJYQQXAKVYQCJS-GFCCVEGCSA-N 1 0 216.288 1.905 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1nc(C2CC2)ns1 ZINC000721894969 710691118 /nfs/dbraw/zinc/69/11/18/710691118.db2.gz DBJFWPRIFMCMSF-HTRCEHHLSA-N 1 0 224.333 1.435 10 0 BDAERO CN1C[C@H](C[NH2+][C@@H]2CC3CCC2CC3)CC1=O ZINC000722737961 711469606 /nfs/dbraw/zinc/46/96/06/711469606.db2.gz OCBROLSEHQFSLF-PYNQCMFNSA-N 1 0 236.359 1.633 10 0 BDAERO CN1C[C@H](C[NH2+][C@@H]2CCCC3(CC3)C2)CC1=O ZINC000722749730 711469982 /nfs/dbraw/zinc/46/99/82/711469982.db2.gz PZFCMNCKCZLRQS-NWDGAFQWSA-N 1 0 236.359 1.777 10 0 BDAERO CC[C@@H]1C[C@H]1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000723113129 711504723 /nfs/dbraw/zinc/50/47/23/711504723.db2.gz LCTIDBJPUXXLAM-BDAKNGLRSA-N 1 0 208.309 1.518 10 0 BDAERO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000723144941 711506789 /nfs/dbraw/zinc/50/67/89/711506789.db2.gz ZGQUZKMOWYYQPF-VOAKCMCISA-N 1 0 224.348 1.095 10 0 BDAERO Cc1nccc(N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723887051 711543462 /nfs/dbraw/zinc/54/34/62/711543462.db2.gz PQIVWUAKSHIASX-MWLCHTKSSA-N 1 0 220.320 1.206 10 0 BDAERO Cc1cn(C)nc1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000724001493 711554146 /nfs/dbraw/zinc/55/41/46/711554146.db2.gz VLHJXPCYLIVZAN-PWSUYJOCSA-N 1 0 223.320 1.074 10 0 BDAERO COC1CC([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000724258657 711572563 /nfs/dbraw/zinc/57/25/63/711572563.db2.gz FJAXMZCIYNKOOJ-XSQGIZAWSA-N 1 0 213.321 1.709 10 0 BDAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1cn(C)nn1 ZINC000724299047 711573844 /nfs/dbraw/zinc/57/38/44/711573844.db2.gz CLPBRFJYMAVJAK-YTWAJWBKSA-N 1 0 238.335 1.422 10 0 BDAERO Cc1n[nH]c(C[NH2+][C@H]2CCO[C@@H]2C)c1C ZINC000716483422 711574585 /nfs/dbraw/zinc/57/45/85/711574585.db2.gz NMUATQSKZOEJPY-ZJUUUORDSA-N 1 0 209.293 1.294 10 0 BDAERO CC(C)C1([NH2+]C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000724642133 711603450 /nfs/dbraw/zinc/60/34/50/711603450.db2.gz CZNMFUSHPPCHSE-GRYCIOLGSA-N 1 0 225.332 1.569 10 0 BDAERO CC(C)C1([NH2+]CCO[C@H]2CCOC2)CC1 ZINC000724986995 711640799 /nfs/dbraw/zinc/64/07/99/711640799.db2.gz SVQOZJQOTPHHIY-NSHDSACASA-N 1 0 213.321 1.570 10 0 BDAERO CC1(C)C[C@@H](N[C@H]2CC[NH2+]C2)CCS1 ZINC000725662017 711668810 /nfs/dbraw/zinc/66/88/10/711668810.db2.gz RXKXRHMHBZEZSW-UWVGGRQHSA-N 1 0 214.378 1.612 10 0 BDAERO CC(C)(O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000725663795 711669011 /nfs/dbraw/zinc/66/90/11/711669011.db2.gz MYNWDIZUXWKKOO-KOLCDFICSA-N 1 0 215.362 1.442 10 0 BDAERO [NH3+][C@H](CCO)c1cncc(Br)c1 ZINC000095638621 711776325 /nfs/dbraw/zinc/77/63/25/711776325.db2.gz FEBZQMXCYJMRRP-MRVPVSSYSA-N 1 0 231.093 1.226 10 0 BDAERO CN(C(=O)c1ccc[nH]c1=O)[C@@H]1CCC[NH2+]CC1 ZINC000226458281 711831103 /nfs/dbraw/zinc/83/11/03/711831103.db2.gz OHLZNDSKGHFVDH-SNVBAGLBSA-N 1 0 249.314 1.001 10 0 BDAERO C[C@H](CC[NH2+]CCc1ccccc1)[S@@](C)=O ZINC000229790010 711839026 /nfs/dbraw/zinc/83/90/26/711839026.db2.gz DGMNPRYOPXLKQO-MLGOLLRUSA-N 1 0 239.384 1.976 10 0 BDAERO CC1(C)C[NH2+]C[C@@H]1Nc1ccnc2cccnc21 ZINC000721971027 711853796 /nfs/dbraw/zinc/85/37/96/711853796.db2.gz GRNGTUWNNUZKIE-LBPRGKRZSA-N 1 0 242.326 1.462 10 0 BDAERO CC1(C)C[NH2+]C[C@H]1Nc1cn[nH]c(=O)c1Cl ZINC000721932286 711939567 /nfs/dbraw/zinc/93/95/67/711939567.db2.gz GRCBGIMBWKYJEN-SSDOTTSWSA-N 1 0 242.710 1.246 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCCC2)C1 ZINC000132598104 711972701 /nfs/dbraw/zinc/97/27/01/711972701.db2.gz WHXKFTDOXGRSGU-LBPRGKRZSA-N 1 0 239.363 1.666 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@@]2(C)CCO[C@@H]2C)n1 ZINC000700468083 711993545 /nfs/dbraw/zinc/99/35/45/711993545.db2.gz KFLHADJACHJEOA-SKDRFNHKSA-N 1 0 237.303 1.148 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCOC[C@H]2C)n1 ZINC000700487427 711994220 /nfs/dbraw/zinc/99/42/20/711994220.db2.gz REWCULTXGNPHHH-PSASIEDQSA-N 1 0 237.303 1.005 10 0 BDAERO c1ccc(-c2noc([C@H]3C[NH2+]CCOC3)n2)cc1 ZINC000700449383 711995164 /nfs/dbraw/zinc/99/51/64/711995164.db2.gz DDNPNRXVOVAJJQ-NSHDSACASA-N 1 0 245.282 1.440 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@H](C)[C@@H]2CCCO2)n1 ZINC000700459412 711995851 /nfs/dbraw/zinc/99/58/51/711995851.db2.gz PCQZVWRAPNRAKM-ZJUUUORDSA-N 1 0 237.303 1.148 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)/C=C/c1cccc(F)c1 ZINC000700566275 711995857 /nfs/dbraw/zinc/99/58/57/711995857.db2.gz VUQDKEVKXMVIDM-KOIHBYQTSA-N 1 0 248.301 1.787 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccnc1Cl ZINC000700608353 712001122 /nfs/dbraw/zinc/00/11/22/712001122.db2.gz GCZNKNHOYLIGMK-VXNVDRBHSA-N 1 0 239.706 1.297 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)nc1 ZINC000700612826 712002020 /nfs/dbraw/zinc/00/20/20/712002020.db2.gz XRNPIQNOGKASCL-APPZFPTMSA-N 1 0 239.706 1.297 10 0 BDAERO CC(C)c1cnc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000700758738 712004629 /nfs/dbraw/zinc/00/46/29/712004629.db2.gz CCEZRRRXRNWTOF-TUAOUCFPSA-N 1 0 249.358 1.967 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nccc(C(C)(C)C)n1 ZINC000701891521 712031919 /nfs/dbraw/zinc/03/19/19/712031919.db2.gz SFSNJGMXIHXZDN-VIFPVBQESA-N 1 0 222.336 1.794 10 0 BDAERO C[NH2+]C[C@H](C)Nc1cncc(Cl)n1 ZINC000701922632 712033224 /nfs/dbraw/zinc/03/32/24/712033224.db2.gz PUWMYKDQSRWSSY-LURJTMIESA-N 1 0 200.673 1.150 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000702263922 712042156 /nfs/dbraw/zinc/04/21/56/712042156.db2.gz NKVFQTDAKBCQGJ-WDEREUQCSA-N 1 0 246.782 1.457 10 0 BDAERO CC(C)(CO)[NH2+]Cc1cncc(Cl)c1 ZINC000702689203 712059154 /nfs/dbraw/zinc/05/91/54/712059154.db2.gz WTBMTGXUUSDKQR-UHFFFAOYSA-N 1 0 214.696 1.596 10 0 BDAERO C[C@H](Cc1nc([C@@H](C)C[NH3+])no1)C(F)(F)F ZINC000705469842 712132112 /nfs/dbraw/zinc/13/21/12/712132112.db2.gz JXURWSUHAPJXNJ-NTSWFWBYSA-N 1 0 237.225 1.873 10 0 BDAERO CC[C@](C)(O)C[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000705669947 712134744 /nfs/dbraw/zinc/13/47/44/712134744.db2.gz MXFNYIXEAQFTPJ-MCIONIFRSA-N 1 0 240.391 1.421 10 0 BDAERO COC[C@H](C)[NH2+]Cc1cc(Cl)n(C)n1 ZINC000706137973 712140092 /nfs/dbraw/zinc/14/00/92/712140092.db2.gz VAMWVVQOVCTCTQ-ZETCQYMHSA-N 1 0 217.700 1.198 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000706718093 712152649 /nfs/dbraw/zinc/15/26/49/712152649.db2.gz OMSAVHZMFLOVGS-OLZOCXBDSA-N 1 0 227.348 1.839 10 0 BDAERO CCN1CCO[C@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706742537 712153161 /nfs/dbraw/zinc/15/31/61/712153161.db2.gz KRSMYPFWPCRGHZ-MOENNCHZSA-N 1 0 244.404 1.191 10 0 BDAERO CSC1CC([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000706889853 712158828 /nfs/dbraw/zinc/15/88/28/712158828.db2.gz WDKMTRPYLZINOO-IDKOKCKLSA-N 1 0 228.361 1.139 10 0 BDAERO CSC1CC([NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000706960327 712160088 /nfs/dbraw/zinc/16/00/88/712160088.db2.gz RQXALXQETGDDLT-QXUHLLMWSA-N 1 0 225.304 1.486 10 0 BDAERO COC(=O)/C(C)=C\C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000706963686 712160683 /nfs/dbraw/zinc/16/06/83/712160683.db2.gz USGPYQIRPBWFKC-PNEDHVDMSA-N 1 0 209.289 1.590 10 0 BDAERO CSC1CC([NH2+]CC2CC(O)C2)C1 ZINC000706945019 712162873 /nfs/dbraw/zinc/16/28/73/712162873.db2.gz HVFXOVIFGTYBDU-UHFFFAOYSA-N 1 0 201.335 1.241 10 0 BDAERO C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1C[NH3+] ZINC000708064076 712172849 /nfs/dbraw/zinc/17/28/49/712172849.db2.gz KOOHLALXQJOWAJ-HTQZYQBOSA-N 1 0 232.274 1.085 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CNOC2)CC(C)(C)C1 ZINC000708341779 712188755 /nfs/dbraw/zinc/18/87/55/712188755.db2.gz QXUSUJAQDOLTDX-GMTAPVOTSA-N 1 0 212.337 1.694 10 0 BDAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CC(C)(C)C1 ZINC000708800015 712198813 /nfs/dbraw/zinc/19/88/13/712198813.db2.gz IQDZEMCGCIXJOR-RVMXOQNASA-N 1 0 241.375 1.941 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@H]1C[NH3+] ZINC000708848476 712200775 /nfs/dbraw/zinc/20/07/75/712200775.db2.gz JREGDGMHQYENOH-WQMVXFAESA-N 1 0 234.299 1.346 10 0 BDAERO CO[C@H]1C[C@@H](CN2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000709069815 712207848 /nfs/dbraw/zinc/20/78/48/712207848.db2.gz CIRGSMUAUUZUEO-MCIONIFRSA-N 1 0 238.375 1.582 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@@]12C[C@@H]1CCCC2 ZINC000709109171 712208660 /nfs/dbraw/zinc/20/86/60/712208660.db2.gz GYWWXKAHGOGGJP-KZVDOYCCSA-N 1 0 236.359 1.681 10 0 BDAERO CC(=O)c1cccc(N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000709140358 712209835 /nfs/dbraw/zinc/20/98/35/712209835.db2.gz XBAUHPSUEQGICM-GXFFZTMASA-N 1 0 247.342 1.671 10 0 BDAERO CC(=O)c1cccc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000709140361 712209850 /nfs/dbraw/zinc/20/98/50/712209850.db2.gz XBAUHPSUEQGICM-MFKMUULPSA-N 1 0 247.342 1.671 10 0 BDAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ncncc1Cl)C2 ZINC000709801091 712227524 /nfs/dbraw/zinc/22/75/24/712227524.db2.gz VTUQFTZNWRFQKE-YIZRAAEISA-N 1 0 238.722 1.446 10 0 BDAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cn(C)cn1 ZINC000709927947 712233733 /nfs/dbraw/zinc/23/37/33/712233733.db2.gz VZUIRHODSBCBJW-ONGXEEELSA-N 1 0 225.336 1.478 10 0 BDAERO CC[N@@H+]1CC[C@@H](N[C@H](C)c2cn(C)cn2)C1 ZINC000709951635 712234573 /nfs/dbraw/zinc/23/45/73/712234573.db2.gz ZLJZANWQXDHJOT-GHMZBOCLSA-N 1 0 222.336 1.165 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cn(C)cn1 ZINC000710011150 712240272 /nfs/dbraw/zinc/24/02/72/712240272.db2.gz DUIYOEVFUIYUEZ-GARJFASQSA-N 1 0 223.320 1.374 10 0 BDAERO CCCc1noc([C@]2(C[NH3+])CCCOC2)n1 ZINC000710332948 712252222 /nfs/dbraw/zinc/25/22/22/712252222.db2.gz CLPZRIDTEOAJCD-NSHDSACASA-N 1 0 225.292 1.029 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710883668 712261573 /nfs/dbraw/zinc/26/15/73/712261573.db2.gz NUJMEQNVORDPRM-DCAQKATOSA-N 1 0 212.337 1.665 10 0 BDAERO CC[C@H]1OCC[C@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000711618775 712312802 /nfs/dbraw/zinc/31/28/02/712312802.db2.gz BABRVFDNDBLDOI-RKDXNWHRSA-N 1 0 237.303 1.690 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOC1CC1 ZINC000711685757 712317288 /nfs/dbraw/zinc/31/72/88/712317288.db2.gz AEMHDPAWBBTZSK-RYUDHWBXSA-N 1 0 224.348 1.334 10 0 BDAERO C[C@H]1CN(Cc2nccn2C2CC2)C[C@@H]1C[NH3+] ZINC000711727456 712323026 /nfs/dbraw/zinc/32/30/26/712323026.db2.gz YBLDCBZWVALXHJ-QWRGUYRKSA-N 1 0 234.347 1.245 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711754717 712324814 /nfs/dbraw/zinc/32/48/14/712324814.db2.gz FEYSXNRBVPWXGL-RKDXNWHRSA-N 1 0 209.293 1.077 10 0 BDAERO COc1ccc(-c2cnn(CC[NH3+])c2)c(F)c1 ZINC000379771704 712398418 /nfs/dbraw/zinc/39/84/18/712398418.db2.gz RBUYNIRPIXVJAZ-UHFFFAOYSA-N 1 0 235.262 1.657 10 0 BDAERO CC(C)(CO)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000712509679 712432097 /nfs/dbraw/zinc/43/20/97/712432097.db2.gz JLWCFLFRCBATKE-SNVBAGLBSA-N 1 0 213.321 1.449 10 0 BDAERO CCCc1nccnc1NC[C@@H]1CC[N@@H+]1C ZINC000712591594 712435065 /nfs/dbraw/zinc/43/50/65/712435065.db2.gz KCCWKGSNTMLOLV-JTQLQIEISA-N 1 0 220.320 1.545 10 0 BDAERO CC1(C)CC[NH2+]CCN1C(=O)CC(F)(F)F ZINC000712522996 712440979 /nfs/dbraw/zinc/44/09/79/712440979.db2.gz OQUHDCLPYHXXGJ-UHFFFAOYSA-N 1 0 238.253 1.539 10 0 BDAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1C[C@@H]1C ZINC000713113185 712452701 /nfs/dbraw/zinc/45/27/01/712452701.db2.gz RFAGJNPLHCKKHQ-AEJSXWLSSA-N 1 0 212.337 1.521 10 0 BDAERO C[C@H]1CN(CCCOC(F)(F)F)C[C@@H]1[NH3+] ZINC000713398833 712459234 /nfs/dbraw/zinc/45/92/34/712459234.db2.gz QLWBHHRRYPDQHD-YUMQZZPRSA-N 1 0 226.242 1.192 10 0 BDAERO CC(C)(CO)[NH2+]CCCOC(F)(F)F ZINC000713446063 712460310 /nfs/dbraw/zinc/46/03/10/712460310.db2.gz YCWGBNLCIMYLEZ-UHFFFAOYSA-N 1 0 215.215 1.273 10 0 BDAERO CCc1ccc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)cc1 ZINC000713781935 712472441 /nfs/dbraw/zinc/47/24/41/712472441.db2.gz LSRXAZAWWNDNJC-DGCLKSJQSA-N 1 0 248.326 1.551 10 0 BDAERO COCC1CC([NH2+]Cc2cccc(O)c2)C1 ZINC000713917336 712472850 /nfs/dbraw/zinc/47/28/50/712472850.db2.gz OCAUHESBGYQBHA-UHFFFAOYSA-N 1 0 221.300 1.907 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](C(=O)NCC2CCCCC2)CO1 ZINC000713821967 712473029 /nfs/dbraw/zinc/47/30/29/712473029.db2.gz NVOURINIZGZQPN-RYUDHWBXSA-N 1 0 240.347 1.047 10 0 BDAERO COCC1CC(NC(=O)CCCCCC[NH3+])C1 ZINC000713953696 712474736 /nfs/dbraw/zinc/47/47/36/712474736.db2.gz RHBVNHPZDDSHPT-UHFFFAOYSA-N 1 0 242.363 1.437 10 0 BDAERO COCC1CC([NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)C1 ZINC000713962427 712474975 /nfs/dbraw/zinc/47/49/75/712474975.db2.gz WRTIVVINTOEDBG-VOBJUBJWSA-N 1 0 240.347 1.058 10 0 BDAERO CC[C@@](C)(C[NH2+]C1CC(COC)C1)OC ZINC000713971237 712475534 /nfs/dbraw/zinc/47/55/34/712475534.db2.gz NSFXXJMQOOBJRR-MCIGGMRASA-N 1 0 215.337 1.816 10 0 BDAERO COCC1CC([NH2+]C2CCSCC2)C1 ZINC000713984701 712475941 /nfs/dbraw/zinc/47/59/41/712475941.db2.gz MOGJTDIQYYFFNW-UHFFFAOYSA-N 1 0 215.362 1.897 10 0 BDAERO COCC1CC([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000713983550 712476029 /nfs/dbraw/zinc/47/60/29/712476029.db2.gz DIUCXPBRIRCBHH-UHFFFAOYSA-N 1 0 248.326 1.300 10 0 BDAERO CC[C@@H](COC)[NH2+]C1CC(COC)C1 ZINC000713985356 712476571 /nfs/dbraw/zinc/47/65/71/712476571.db2.gz NZYBURZQWUJYMI-YVNMAJEFSA-N 1 0 201.310 1.426 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](c2nc(-c3ccccc3)no2)CO1 ZINC000714060994 712478040 /nfs/dbraw/zinc/47/80/40/712478040.db2.gz ADOWSJCADFKTOH-QWRGUYRKSA-N 1 0 245.282 1.568 10 0 BDAERO COC[C@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000714490329 712492181 /nfs/dbraw/zinc/49/21/81/712492181.db2.gz XLSUUUMEXMHSQU-AXFHLTTASA-N 1 0 215.337 1.408 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715079866 712506588 /nfs/dbraw/zinc/50/65/88/712506588.db2.gz ANEUYSVPMCMCKJ-VWYCJHECSA-N 1 0 213.321 1.916 10 0 BDAERO [NH3+]C1CC(CNC(=O)/C=C/c2ccccc2F)C1 ZINC000715080971 712506932 /nfs/dbraw/zinc/50/69/32/712506932.db2.gz IQPODACMRZYSEZ-AATRIKPKSA-N 1 0 248.301 1.692 10 0 BDAERO CC1(C)OC[C@H](C[NH2+][C@@H]2CCC[C@@H](O)C2)O1 ZINC000715081637 712507260 /nfs/dbraw/zinc/50/72/60/712507260.db2.gz LOFIQTWATDGBQU-MXWKQRLJSA-N 1 0 229.320 1.031 10 0 BDAERO Cn1c2ccccc2nc1NCC1CC([NH3+])C1 ZINC000715094050 712508148 /nfs/dbraw/zinc/50/81/48/712508148.db2.gz PYBWRXPARRNQCB-UHFFFAOYSA-N 1 0 230.315 1.723 10 0 BDAERO CCOc1cc(NC[C@H]2C[C@H]([NH3+])C2)nc(C)n1 ZINC000715096735 712508620 /nfs/dbraw/zinc/50/86/20/712508620.db2.gz MOHOKSOQGXHWGI-MGCOHNPYSA-N 1 0 236.319 1.333 10 0 BDAERO OC[C@H]1COCC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000715490945 712523067 /nfs/dbraw/zinc/52/30/67/712523067.db2.gz MYOUJJGUBAQDKI-AGIUHOORSA-N 1 0 225.332 1.116 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715528463 712525958 /nfs/dbraw/zinc/52/59/58/712525958.db2.gz BBEKFWNGPRNSQE-YUTCNCBUSA-N 1 0 239.359 1.648 10 0 BDAERO [NH3+]CCCCCCC(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000037001057 712528632 /nfs/dbraw/zinc/52/86/32/712528632.db2.gz AOZVDIMRVRRAKN-VXGBXAGGSA-N 1 0 242.363 1.315 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716063897 712549398 /nfs/dbraw/zinc/54/93/98/712549398.db2.gz WNDHRSLKHIFBSR-SFXRXQKFSA-N 1 0 231.361 1.340 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000716432546 712559938 /nfs/dbraw/zinc/55/99/38/712559938.db2.gz DMTRWEWCKFAZRM-OGBGREFGSA-N 1 0 210.321 1.003 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000716457722 712562470 /nfs/dbraw/zinc/56/24/70/712562470.db2.gz AVBACQRICGJVAL-AHEMWPHCSA-N 1 0 248.370 1.678 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2ccsc2)C1 ZINC000716723811 712571031 /nfs/dbraw/zinc/57/10/31/712571031.db2.gz QHAVYELJKQKYLN-UHFFFAOYSA-N 1 0 210.302 1.102 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000716723280 712571085 /nfs/dbraw/zinc/57/10/85/712571085.db2.gz NYQFFOAPKVWPNJ-YIZWMMSDSA-N 1 0 244.338 1.918 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000716729843 712571297 /nfs/dbraw/zinc/57/12/97/712571297.db2.gz BZGYQARSOUFMLK-NRXRVSCLSA-N 1 0 208.305 1.029 10 0 BDAERO C[C@H]1CCC[C@H](C)C1[NH2+]C1CC(C(N)=O)C1 ZINC000716762499 712572926 /nfs/dbraw/zinc/57/29/26/712572926.db2.gz XJRLJTXPWRRLRC-SAAXCQNUSA-N 1 0 224.348 1.665 10 0 BDAERO CC1=C[C@H](C)C[C@@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000716788533 712573592 /nfs/dbraw/zinc/57/35/92/712573592.db2.gz HFDYEVJIRPJNHW-ASYDDIGESA-N 1 0 236.359 1.832 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000716789951 712573605 /nfs/dbraw/zinc/57/36/05/712573605.db2.gz OORRKZRMFSXLMF-IGJPJIBNSA-N 1 0 236.359 1.809 10 0 BDAERO C[NH2+]CCOCCNc1nccc2cccnc21 ZINC000716922274 712596140 /nfs/dbraw/zinc/59/61/40/712596140.db2.gz MOZMIODPTSIUCC-UHFFFAOYSA-N 1 0 246.314 1.278 10 0 BDAERO Cc1cnccc1-c1cnn(CC[NH3+])c1 ZINC000379817859 712611614 /nfs/dbraw/zinc/61/16/14/712611614.db2.gz SDPZBLJMDDMINY-UHFFFAOYSA-N 1 0 202.261 1.212 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@H](C)O ZINC000379944448 712634783 /nfs/dbraw/zinc/63/47/83/712634783.db2.gz QDXCBUNIJGKOFD-SVRRBLITSA-N 1 0 231.727 1.241 10 0 BDAERO CCCCOC(=O)CC[NH2+][C@H](C)COC ZINC000379999072 712651613 /nfs/dbraw/zinc/65/16/13/712651613.db2.gz LOXRELPZXJKACB-SNVBAGLBSA-N 1 0 217.309 1.344 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000380018964 712671148 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ZINC000396715112 398167314 /nfs/dbraw/zinc/16/73/14/398167314.db2.gz SPGJTCMFDHMOEE-WCQYABFASA-N 1 0 234.343 1.925 10 0 BDAERO C[C@H](Cn1cc(C[NH3+])nn1)C1CCCCC1 ZINC000380169884 398189643 /nfs/dbraw/zinc/18/96/43/398189643.db2.gz WQGNONTZWZQRHQ-SNVBAGLBSA-N 1 0 222.336 1.953 10 0 BDAERO C[C@]1(CO)CCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000309156562 136217771 /nfs/dbraw/zinc/21/77/71/136217771.db2.gz XPDNTABPAGDKND-WDEREUQCSA-N 1 0 213.321 1.042 10 0 BDAERO Cc1cc(N)ccc1NC(=O)[C@H](C)[NH+](C)C ZINC000022171691 178105362 /nfs/dbraw/zinc/10/53/62/178105362.db2.gz RDWFZZBXEPJIQG-VIFPVBQESA-N 1 0 221.304 1.466 10 0 BDAERO CC(C)C1CCC([C@@H](O)[C@H]([NH3+])CO)CC1 ZINC000379778912 398196673 /nfs/dbraw/zinc/19/66/73/398196673.db2.gz BKRAKUBEICBFAM-KIDURHIOSA-N 1 0 215.337 1.129 10 0 BDAERO Cc1cc(N)ccc1NC[C@H]1CC[N@@H+](C)C1 ZINC000037484562 178106725 /nfs/dbraw/zinc/10/67/25/178106725.db2.gz IHGIIWGGFMIMNS-LLVKDONJSA-N 1 0 219.332 1.941 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([NH3+])[C@@H]21 ZINC000536954355 398197957 /nfs/dbraw/zinc/19/79/57/398197957.db2.gz KYYGMGVJOMVZFY-IVZWLZJFSA-N 1 0 226.320 1.733 10 0 BDAERO Cc1cc(N2CCC[C@@H]2C[NH3+])nc(Cl)n1 ZINC000095068827 178114439 /nfs/dbraw/zinc/11/44/39/178114439.db2.gz XSEYMAWIJNYVRG-MRVPVSSYSA-N 1 0 226.711 1.366 10 0 BDAERO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)nc(C(C)C)n1 ZINC000261551922 178118485 /nfs/dbraw/zinc/11/84/85/178118485.db2.gz MPWQXUIBWJFULE-GHMZBOCLSA-N 1 0 234.347 1.834 10 0 BDAERO Cc1cc(N2C[C@@H]([NH3+])CC2=O)ccc1F ZINC000061121521 178120975 /nfs/dbraw/zinc/12/09/75/178120975.db2.gz JXGFGKWMLNHTPE-QMMMGPOBSA-N 1 0 208.236 1.198 10 0 BDAERO Cc1cc(NC(=O)C2(C[NH3+])CCC2)on1 ZINC000082640949 178124766 /nfs/dbraw/zinc/12/47/66/178124766.db2.gz XAQFCRDDHJXHGR-UHFFFAOYSA-N 1 0 209.249 1.051 10 0 BDAERO CCOC1CC([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC000162782933 538924948 /nfs/dbraw/zinc/92/49/48/538924948.db2.gz HOHRTGAPOFOEGX-QTAHKJALSA-N 1 0 213.321 1.447 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000380737054 398207124 /nfs/dbraw/zinc/20/71/24/398207124.db2.gz KEKYKFLQKAQKAI-OUAUKWLOSA-N 1 0 212.337 1.617 10 0 BDAERO Cc1cc(C)cc(N2C[C@H](C[NH3+])OC2=O)c1 ZINC000019669061 538927130 /nfs/dbraw/zinc/92/71/30/538927130.db2.gz RTJVYDMPKKTPMB-NSHDSACASA-N 1 0 220.272 1.587 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000092349750 178148348 /nfs/dbraw/zinc/14/83/48/178148348.db2.gz RMQQCKGSVJCCEH-QWRGUYRKSA-N 1 0 233.315 1.846 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2)C1(C)C ZINC000336894355 398218177 /nfs/dbraw/zinc/21/81/77/398218177.db2.gz LVPKOAAGURNIRL-FRRDWIJNSA-N 1 0 240.391 1.874 10 0 BDAERO Cc1cc2ncnn2c(NC2(C[NH3+])CCCC2)c1 ZINC000111822825 178152517 /nfs/dbraw/zinc/15/25/17/178152517.db2.gz IUYGYODWPJQOBN-UHFFFAOYSA-N 1 0 245.330 1.721 10 0 BDAERO Cc1cc(NCCC2(C)OCCO2)cc[nH+]1 ZINC000302390366 178158036 /nfs/dbraw/zinc/15/80/36/178158036.db2.gz FQJIGMCWXRPCDZ-UHFFFAOYSA-N 1 0 222.288 1.955 10 0 BDAERO C[C@H]1C[N@H+](C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000073653652 187330074 /nfs/dbraw/zinc/33/00/74/187330074.db2.gz WVKQWWLNMFYSHO-UWVGGRQHSA-N 1 0 228.336 1.851 10 0 BDAERO CCN(CC(F)F)C(=O)C[C@@H]([NH3+])C(C)C ZINC000387015716 398225497 /nfs/dbraw/zinc/22/54/97/398225497.db2.gz HPUCSNOFFOTGAA-MRVPVSSYSA-N 1 0 222.279 1.473 10 0 BDAERO Cc1cc(NC[C@H]2CCC[NH2+]2)nc(Cl)n1 ZINC000095068972 178169962 /nfs/dbraw/zinc/16/99/62/178169962.db2.gz JAMQAPMYYSFQCX-MRVPVSSYSA-N 1 0 226.711 1.602 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]Cc2nncn2CC)C1 ZINC000164431661 136223034 /nfs/dbraw/zinc/22/30/34/136223034.db2.gz PXKBNKZRTGHWAC-MNOVXSKESA-N 1 0 222.336 1.966 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000382031082 361741695 /nfs/dbraw/zinc/74/16/95/361741695.db2.gz UFXVFISYJVOAKM-RYUDHWBXSA-N 1 0 228.405 1.956 10 0 BDAERO Cc1cc2ncnn2c(OC[C@H]2CCCC[NH2+]2)c1 ZINC000051883486 178212015 /nfs/dbraw/zinc/21/20/15/178212015.db2.gz MLHGXHZAGVLYBA-LLVKDONJSA-N 1 0 246.314 1.559 10 0 BDAERO Cc1cc(OC[C@H](O)C[NH3+])cc(C)c1Cl ZINC000008029025 178212719 /nfs/dbraw/zinc/21/27/19/178212719.db2.gz FORKZGADQIASFF-SECBINFHSA-N 1 0 229.707 1.655 10 0 BDAERO Cc1cc(S(=O)(=O)CC[NH3+])ccc1Cl ZINC000011896456 178215628 /nfs/dbraw/zinc/21/56/28/178215628.db2.gz IHFIHPHJTFXVMD-UHFFFAOYSA-N 1 0 233.720 1.381 10 0 BDAERO C[C@@](O)(C[C@H]1CCC[NH2+]1)c1ccsn1 ZINC000306643441 361781616 /nfs/dbraw/zinc/78/16/16/361781616.db2.gz WRHNHVGOYFWLIN-PSASIEDQSA-N 1 0 212.318 1.493 10 0 BDAERO Cc1cc(S[C@H]2CCC[C@H]2C[NH3+])n(C)n1 ZINC000052310552 178219715 /nfs/dbraw/zinc/21/97/15/178219715.db2.gz DFXZJXFKXLCTEL-UWVGGRQHSA-N 1 0 225.361 1.948 10 0 BDAERO Cc1cc([C@@H](C)N2CC[C@H]([NH3+])C2=O)c(C)o1 ZINC000044730697 178220705 /nfs/dbraw/zinc/22/07/05/178220705.db2.gz OGIMUMFWNOTZBN-KCJUWKMLSA-N 1 0 222.288 1.517 10 0 BDAERO C[C@@H](CO)Nc1ccc(C[NH3+])c(Cl)c1 ZINC000070821522 361774248 /nfs/dbraw/zinc/77/42/48/361774248.db2.gz IEQKHXKMGSHHPK-ZETCQYMHSA-N 1 0 214.696 1.591 10 0 BDAERO C[C@](O)(C[C@@H]1CCC[NH2+]1)c1cscn1 ZINC000306643148 361779579 /nfs/dbraw/zinc/77/95/79/361779579.db2.gz VZSDXDXTWVGMLR-WPRPVWTQSA-N 1 0 212.318 1.493 10 0 BDAERO COCc1nc(C[NH2+]CC[C@H](C)O)cs1 ZINC000164578966 538933751 /nfs/dbraw/zinc/93/37/51/538933751.db2.gz SSWGIHABDNMMIB-QMMMGPOBSA-N 1 0 230.333 1.150 10 0 BDAERO Cc1cc([C@H]([NH3+])[C@H](C)S(C)(=O)=O)ccc1F ZINC000075429580 178263345 /nfs/dbraw/zinc/26/33/45/178263345.db2.gz MYJDYTTVKWHRHC-GZMMTYOYSA-N 1 0 245.319 1.567 10 0 BDAERO Cc1cc([C@H](O)C[NH2+]C2CC2)ccc1F ZINC000049814517 178263895 /nfs/dbraw/zinc/26/38/95/178263895.db2.gz IKFHCXCSEYUEBP-GFCCVEGCSA-N 1 0 209.264 1.920 10 0 BDAERO CCc1cnc(CN2C[C@H](C)[C@H]([NH3+])C2)o1 ZINC000576470385 365604833 /nfs/dbraw/zinc/60/48/33/365604833.db2.gz XKTWRFAPJXIEPK-WCBMZHEXSA-N 1 0 209.293 1.016 10 0 BDAERO Cc1cc2c(ncnc2N2CCC[C@H]2C[NH3+])s1 ZINC000111237574 178279923 /nfs/dbraw/zinc/27/99/23/178279923.db2.gz ZDQAMZZJDGEHTB-VIFPVBQESA-N 1 0 248.355 1.927 10 0 BDAERO CCC(CC)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000308935564 168363830 /nfs/dbraw/zinc/36/38/30/168363830.db2.gz KTBXUIJKRZIKNF-GXSJLCMTSA-N 1 0 212.337 1.679 10 0 BDAERO CCc1cccnc1NC(=O)C[C@H](C)[NH3+] ZINC000381270930 398249852 /nfs/dbraw/zinc/24/98/52/398249852.db2.gz VMWDDNBAZRSYSJ-QMMMGPOBSA-N 1 0 207.277 1.320 10 0 BDAERO CC[NH2+][C@@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C ZINC000168070425 538944336 /nfs/dbraw/zinc/94/43/36/538944336.db2.gz VRBMJBYLEISNOQ-WDEREUQCSA-N 1 0 248.392 1.045 10 0 BDAERO CCC(CC)N(C)C(=O)C1([NH3+])CCCC1 ZINC000037479520 168367514 /nfs/dbraw/zinc/36/75/14/168367514.db2.gz VJYPWXBCJNMAEG-UHFFFAOYSA-N 1 0 212.337 1.905 10 0 BDAERO Cc1ccc(-c2nc([C@@H](C)[NH3+])no2)c(C)n1 ZINC000055331693 178336001 /nfs/dbraw/zinc/33/60/01/178336001.db2.gz OVRHRQFSKDYDKJ-SSDOTTSWSA-N 1 0 218.260 1.768 10 0 BDAERO Cc1ccc(-c2nc([C@@H](C)[NH3+])no2)cn1 ZINC000041052287 178336197 /nfs/dbraw/zinc/33/61/97/178336197.db2.gz YEYRLJCWUMULNC-SSDOTTSWSA-N 1 0 204.233 1.460 10 0 BDAERO Cc1ccc(-c2nnc(CC[NH3+])o2)c(C)n1 ZINC000055331747 178340457 /nfs/dbraw/zinc/34/04/57/178340457.db2.gz CIWOPTQMBLFONF-UHFFFAOYSA-N 1 0 218.260 1.250 10 0 BDAERO Cc1ccc(-c2n[nH]c(CC[NH3+])n2)cc1F ZINC000061844059 178341473 /nfs/dbraw/zinc/34/14/73/178341473.db2.gz GHDSYTAYOVVMNK-UHFFFAOYSA-N 1 0 220.251 1.420 10 0 BDAERO CCN1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000381457368 398258335 /nfs/dbraw/zinc/25/83/35/398258335.db2.gz IVUPYLYMHWBXQX-OLZOCXBDSA-N 1 0 226.364 1.175 10 0 BDAERO Cc1c([C@H](C)[NH3+])nnn1-c1ccc(C)cc1 ZINC000036916705 178349332 /nfs/dbraw/zinc/34/93/32/178349332.db2.gz FSDOFLPNEPHULP-VIFPVBQESA-N 1 0 216.288 1.904 10 0 BDAERO Cc1ccc(Nc2nc(C)cc(NN)[nH+]2)cc1 ZINC000057331486 178360864 /nfs/dbraw/zinc/36/08/64/178360864.db2.gz BHNCSJNUBGYNOR-UHFFFAOYSA-N 1 0 229.287 1.545 10 0 BDAERO CCC[C@H](C[NH2+][C@H]1CCCN(CC)C1)OC ZINC000386006077 398263033 /nfs/dbraw/zinc/26/30/33/398263033.db2.gz LPQUKBBERZZFPP-QWHCGFSZSA-N 1 0 228.380 1.875 10 0 BDAERO Cc1ccc(Br)cc1[C@H]([NH3+])CO ZINC000072198664 178362385 /nfs/dbraw/zinc/36/23/85/178362385.db2.gz MVJPYQXTFCQFJK-SECBINFHSA-N 1 0 230.105 1.750 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cncs1 ZINC000295003664 398264290 /nfs/dbraw/zinc/26/42/90/398264290.db2.gz LNZCZQDIAUJCCX-WCBMZHEXSA-N 1 0 212.318 1.488 10 0 BDAERO CCC(CC)N(CCO)C(=O)CC[NH2+]C(C)C ZINC000042526216 168371310 /nfs/dbraw/zinc/37/13/10/168371310.db2.gz VKDSITOVMNUXES-UHFFFAOYSA-N 1 0 244.379 1.384 10 0 BDAERO CCC(CC)N(CC[NH3+])c1ncnc2nc[nH]c21 ZINC000104315443 168371459 /nfs/dbraw/zinc/37/14/59/168371459.db2.gz WFSKFLBWQOEYHM-UHFFFAOYSA-N 1 0 248.334 1.307 10 0 BDAERO C[C@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000378746451 346822104 /nfs/dbraw/zinc/82/21/04/346822104.db2.gz ROPCJRRKWJNUKS-IRCOFANPSA-N 1 0 245.388 1.588 10 0 BDAERO C[C@@H](C[NH2+][C@@H](C)c1ccoc1)N1CCOCC1 ZINC000177732440 538952118 /nfs/dbraw/zinc/95/21/18/538952118.db2.gz CZJGGTQRPDTPHV-RYUDHWBXSA-N 1 0 238.331 1.651 10 0 BDAERO CC[N@H+](C[C@@H]1CCC[C@H](O)C1)CC(C)(C)O ZINC000381636058 398267166 /nfs/dbraw/zinc/26/71/66/398267166.db2.gz OGAIFRJBCSVJIN-NEPJUHHUSA-N 1 0 229.364 1.630 10 0 BDAERO CC[N@H+](C[C@@H]1CCC[C@@H](O)C1)CC(C)(C)O ZINC000381636063 398267191 /nfs/dbraw/zinc/26/71/91/398267191.db2.gz OGAIFRJBCSVJIN-VXGBXAGGSA-N 1 0 229.364 1.630 10 0 BDAERO Cc1ccc(C(=O)CN2CCC[NH2+]CC2)c(C)c1 ZINC000041298079 178373850 /nfs/dbraw/zinc/37/38/50/178373850.db2.gz CRONRICDPCBEMS-UHFFFAOYSA-N 1 0 246.354 1.781 10 0 BDAERO Cc1ccsc1[C@@H]([NH3+])[C@@H](C)S(C)(=O)=O ZINC000167675027 346831603 /nfs/dbraw/zinc/83/16/03/346831603.db2.gz JVHAQSSJFYXODE-SFYZADRCSA-N 1 0 233.358 1.489 10 0 BDAERO C[C@H]1COC[C@H](C)[NH+]1CCC(C)(C)O ZINC000335143062 136233558 /nfs/dbraw/zinc/23/35/58/136233558.db2.gz GJIJWGDRDQKILM-UWVGGRQHSA-N 1 0 201.310 1.257 10 0 BDAERO Cc1ccc(C(=O)NCCOCC[NH3+])c(C)c1 ZINC000111363562 178409486 /nfs/dbraw/zinc/40/94/86/178409486.db2.gz XUKKQHYKGZFOIV-UHFFFAOYSA-N 1 0 236.315 1.009 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cncnc1 ZINC000182075623 538961959 /nfs/dbraw/zinc/96/19/59/538961959.db2.gz MJCAXASPQAEEOK-UONOGXRCSA-N 1 0 246.358 1.535 10 0 BDAERO CCCN(CC)[C@H](CC[NH3+])C(F)(F)F ZINC000037178525 538962062 /nfs/dbraw/zinc/96/20/62/538962062.db2.gz AMHYAPHOFPFEEH-MRVPVSSYSA-N 1 0 212.259 1.998 10 0 BDAERO CC(C)(C)[NH2+]C[C@@H](O)c1cccc(O)c1 ZINC000002008371 342714500 /nfs/dbraw/zinc/71/45/00/342714500.db2.gz FIEHGOMKUQWWMR-LLVKDONJSA-N 1 0 209.289 1.814 10 0 BDAERO Cc1cccc(CC[N@@H+]2CC[C@H](CCO)C2)n1 ZINC000399717657 342741221 /nfs/dbraw/zinc/74/12/21/342741221.db2.gz KCZDNLRKLOVBEH-CYBMUJFWSA-N 1 0 234.343 1.637 10 0 BDAERO Cc1ccc(CC[NH2+]C[C@H](O)C(C)(C)C)nc1 ZINC000399761523 342741303 /nfs/dbraw/zinc/74/13/03/342741303.db2.gz SKNOYMCZCAVQHV-ZDUSSCGKSA-N 1 0 236.359 1.929 10 0 BDAERO C[C@@H]1C[C@@H](C)[C@H](CNC(=O)C(F)(F)F)C[NH2+]1 ZINC000306657396 361866799 /nfs/dbraw/zinc/86/67/99/361866799.db2.gz MUHXQUQZDSAMPE-PRJMDXOYSA-N 1 0 238.253 1.299 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCCCN1CC1(F)CC1 ZINC000306657060 361867393 /nfs/dbraw/zinc/86/73/93/361867393.db2.gz HRFLBYWLAYPEML-ZJUUUORDSA-N 1 0 200.301 1.690 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NCc2cscn2)C1 ZINC000040505600 344002057 /nfs/dbraw/zinc/00/20/57/344002057.db2.gz PSEHPAIRDYNANU-SNVBAGLBSA-N 1 0 225.361 1.717 10 0 BDAERO Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1O ZINC000038049015 178431423 /nfs/dbraw/zinc/43/14/23/178431423.db2.gz OWOVEFOWIXCHAY-NEPJUHHUSA-N 1 0 248.326 1.700 10 0 BDAERO CC[NH+]1CCC(c2[nH]nc3c2CCN3)CC1 ZINC000003708011 342736841 /nfs/dbraw/zinc/73/68/41/342736841.db2.gz YEASZUGCCQQKEE-UHFFFAOYSA-N 1 0 220.320 1.577 10 0 BDAERO CN(C)[C@]1([C@@H]([NH3+])c2ccccc2)CCOC1 ZINC000144433580 342737386 /nfs/dbraw/zinc/73/73/86/342737386.db2.gz ABTPSUXVLLEKGF-QWHCGFSZSA-N 1 0 220.316 1.407 10 0 BDAERO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)[C@@H]1CCCO1 ZINC000183117544 538965929 /nfs/dbraw/zinc/96/59/29/538965929.db2.gz IQUSPULOSGQQEZ-JQWIXIFHSA-N 1 0 240.347 1.012 10 0 BDAERO COCC(=O)N1CCC2(CCCC[C@H]2[NH3+])CC1 ZINC000616571274 398283714 /nfs/dbraw/zinc/28/37/14/398283714.db2.gz KGCISXWRUYMBAO-LLVKDONJSA-N 1 0 240.347 1.143 10 0 BDAERO C[C@@H]1CN(c2ccccc2C=O)C[C@@H](C)[NH2+]1 ZINC000116972017 342771721 /nfs/dbraw/zinc/77/17/21/342771721.db2.gz JOBUBUXMMUEWAK-GHMZBOCLSA-N 1 0 218.300 1.686 10 0 BDAERO COC(=O)c1cc(C[NH3+])c(F)cc1Cl ZINC000146868490 342772617 /nfs/dbraw/zinc/77/26/17/342772617.db2.gz BSNYKATVQLMZLT-UHFFFAOYSA-N 1 0 217.627 1.724 10 0 BDAERO C[NH2+]CCCc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000147216591 342774191 /nfs/dbraw/zinc/77/41/91/342774191.db2.gz LLEGVOALZSXJST-UHFFFAOYSA-N 1 0 247.298 1.502 10 0 BDAERO Cc1cncc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000232077458 342777568 /nfs/dbraw/zinc/77/75/68/342777568.db2.gz ZMZLWMPZJJDWHJ-NSHDSACASA-N 1 0 233.315 1.718 10 0 BDAERO CCC(C)(C)[NH2+]CCC1(C)OCCO1 ZINC000616577720 398286870 /nfs/dbraw/zinc/28/68/70/398286870.db2.gz LRYMCUCHRGVRDX-UHFFFAOYSA-N 1 0 201.310 1.918 10 0 BDAERO CCOc1ccccc1[C@@H](C)[NH2+]CCC(N)=O ZINC000036746951 398287347 /nfs/dbraw/zinc/28/73/47/398287347.db2.gz POKYQRHTVFADMW-SNVBAGLBSA-N 1 0 236.315 1.611 10 0 BDAERO [NH3+]CCCS(=O)(=O)CCCCC(F)(F)F ZINC000148328057 342790694 /nfs/dbraw/zinc/79/06/94/342790694.db2.gz FUDDOGKIANDSPW-UHFFFAOYSA-N 1 0 247.282 1.483 10 0 BDAERO Cc1cc([S@@](C)(=O)=NC#N)ccc1C[NH3+] ZINC000148753897 342792636 /nfs/dbraw/zinc/79/26/36/342792636.db2.gz GLDBOEVYOWHVGN-OAHLLOKOSA-N 1 0 223.301 1.392 10 0 BDAERO CN1CCN(Cc2ccc3c(c2)CCC3=O)CC1 ZINC000149465335 342794021 /nfs/dbraw/zinc/79/40/21/342794021.db2.gz UHQVMIZTUKDJEH-UHFFFAOYSA-N 1 0 244.338 1.563 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000040637408 538972406 /nfs/dbraw/zinc/97/24/06/538972406.db2.gz VCBBGSWYWKSJRT-CYDGBPFRSA-N 1 0 226.364 1.626 10 0 BDAERO Cc1cnn(C)c1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000378736240 538973495 /nfs/dbraw/zinc/97/34/95/538973495.db2.gz NCXWCJYUKQLNPA-WDEREUQCSA-N 1 0 223.320 1.122 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+]C[C@H]1C[C@H]1C)CC2 ZINC000381030313 538993982 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362000837 /nfs/dbraw/zinc/00/08/37/362000837.db2.gz HFJLCPCIZFNSKX-QWRGUYRKSA-N 1 0 214.378 1.695 10 0 BDAERO C[C@@H](C[NH3+])c1nc([C@H]2CCOC2)cs1 ZINC000164981744 342863101 /nfs/dbraw/zinc/86/31/01/342863101.db2.gz NAUPYHAJXMFHCE-YUMQZZPRSA-N 1 0 212.318 1.709 10 0 BDAERO C[C@@H](CCO)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000132559201 398306564 /nfs/dbraw/zinc/30/65/64/398306564.db2.gz CSZRVCJQXWCWNR-NAKRPEOUSA-N 1 0 213.321 1.160 10 0 BDAERO C[C@@H]1OCC[C@H]1NC1=[NH+]CCCS1 ZINC000134578474 342869837 /nfs/dbraw/zinc/86/98/37/342869837.db2.gz BJSSXUVHOPRYEB-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO Cc1cccc(C[C@H]2CSC[C@H]2O)n1 ZINC000134665723 342876349 /nfs/dbraw/zinc/87/63/49/342876349.db2.gz HPKMOKDFWRVIOH-GXSJLCMTSA-N 1 0 209.314 1.656 10 0 BDAERO C[C@H]1C[C@H](NOC(C)(C)C)CC[N@@H+]1C ZINC000134481841 342857828 /nfs/dbraw/zinc/85/78/28/342857828.db2.gz GLMUPZGMMKNFFO-VHSXEESVSA-N 1 0 200.326 1.789 10 0 BDAERO C[NH2+]C[C@](C)(O)c1sccc1Cl ZINC000229952113 342859038 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136283693 /nfs/dbraw/zinc/28/36/93/136283693.db2.gz RKLKSIILYAOHTG-FRRDWIJNSA-N 1 0 227.348 1.384 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1O[C@H]1CCCCNC1=O ZINC000019813285 187252372 /nfs/dbraw/zinc/25/23/72/187252372.db2.gz KREBCCOXQUWXJN-MFKMUULPSA-N 1 0 248.326 1.754 10 0 BDAERO CC(C)C[C@@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842772 187252508 /nfs/dbraw/zinc/25/25/08/187252508.db2.gz FJORUOPYBUNIAA-SECBINFHSA-N 1 0 219.288 1.902 10 0 BDAERO COc1ccc2[nH]cc3c2c1CC[NH2+]CC3 ZINC000238357395 343255731 /nfs/dbraw/zinc/25/57/31/343255731.db2.gz OAQYUXBJDRCIMJ-UHFFFAOYSA-N 1 0 216.284 1.865 10 0 BDAERO Cc1ccc([C@H]2C[C@@H](O)[C@@](C)(O)C[N@H+]2C)c(C)c1 ZINC000033895861 343262498 /nfs/dbraw/zinc/26/24/98/343262498.db2.gz BXHUHAQDRAWEPJ-KFWWJZLASA-N 1 0 249.354 1.792 10 0 BDAERO O=S(=O)(c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000034103791 343264678 /nfs/dbraw/zinc/26/46/78/343264678.db2.gz OFKVKYJHTPNLOU-NSHDSACASA-N 1 0 243.303 1.351 10 0 BDAERO OC1(C2CC2)C[NH+](CC[C@@H]2CCCO2)C1 ZINC000084377227 136292063 /nfs/dbraw/zinc/29/20/63/136292063.db2.gz WKUYLBROTUDCAM-NSHDSACASA-N 1 0 211.305 1.012 10 0 BDAERO CCOC(=O)C1([C@H]2[NH2+]C(C)(C)C[C@@H](C)O2)CC1 ZINC000217346530 343277500 /nfs/dbraw/zinc/27/75/00/343277500.db2.gz PFINTFVJOUAOSH-ZJUUUORDSA-N 1 0 241.331 1.833 10 0 BDAERO [NH3+]Cc1ccccc1COC[C@@H]1CCCO1 ZINC000019271439 187251899 /nfs/dbraw/zinc/25/18/99/187251899.db2.gz VRWLBMRBLPVYKQ-ZDUSSCGKSA-N 1 0 221.300 1.841 10 0 BDAERO COC(=O)c1ccc(F)c(C[NH3+])c1Cl ZINC000146960006 343319696 /nfs/dbraw/zinc/31/96/96/343319696.db2.gz BXMSZIIKAHKVDT-UHFFFAOYSA-N 1 0 217.627 1.724 10 0 BDAERO COCc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000335617019 136296553 /nfs/dbraw/zinc/29/65/53/136296553.db2.gz LLFRWVSYJUAZRK-ZWNOBZJWSA-N 1 0 248.326 1.252 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1NC(=O)[C@H]1CCCO1 ZINC000022161233 187254601 /nfs/dbraw/zinc/25/46/01/187254601.db2.gz WZRWGDMKZGMOPQ-BXKDBHETSA-N 1 0 234.299 1.824 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1CCCCC1 ZINC000335608336 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187256603 /nfs/dbraw/zinc/25/66/03/187256603.db2.gz MUOJPKHDNITNHX-ZDUSSCGKSA-N 1 0 223.316 1.518 10 0 BDAERO Cc1nn(C(C)C)c(C)c1NC(=O)C[C@@H](C)[NH3+] ZINC000037771094 187259890 /nfs/dbraw/zinc/25/98/90/187259890.db2.gz YSRCYCZUFJLTRX-MRVPVSSYSA-N 1 0 238.335 1.757 10 0 BDAERO CCN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCC1 ZINC000335671796 136313160 /nfs/dbraw/zinc/31/31/60/136313160.db2.gz WWFBYZOOVGOQJC-QWRGUYRKSA-N 1 0 224.348 1.905 10 0 BDAERO [NH3+]Cc1ccccc1O[C@@H]1CCCC[C@H]1O ZINC000037698953 187260342 /nfs/dbraw/zinc/26/03/42/187260342.db2.gz SMKABZSLMCDXSC-DGCLKSJQSA-N 1 0 221.300 1.828 10 0 BDAERO Cc1nc(CC[NH+](C)C)nc(Cl)c1C ZINC000167761180 346936969 /nfs/dbraw/zinc/93/69/69/346936969.db2.gz UQXUPMXSOCAXPD-UHFFFAOYSA-N 1 0 213.712 1.851 10 0 BDAERO C=CC(=O)N(CC[NH+](C)C)Cc1cccnc1 ZINC000037834304 187261006 /nfs/dbraw/zinc/26/10/06/187261006.db2.gz HGUAHTVGHSHMCX-UHFFFAOYSA-N 1 0 233.315 1.158 10 0 BDAERO CC(C)C[C@@H](C)N(C)C(=O)C1CC[NH2+]CC1 ZINC000037807237 187261394 /nfs/dbraw/zinc/26/13/94/187261394.db2.gz IZHJEAIYFFKWOB-LLVKDONJSA-N 1 0 226.364 1.879 10 0 BDAERO Cc1cc(N[C@@H](C[NH3+])CC(C)C)ncn1 ZINC000082593026 343450182 /nfs/dbraw/zinc/45/01/82/343450182.db2.gz FRSLJKXUGJBJSS-SNVBAGLBSA-N 1 0 208.309 1.570 10 0 BDAERO Cc1ccnc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000082593038 343450248 /nfs/dbraw/zinc/45/02/48/343450248.db2.gz KRYFZILKLFIBRG-JTQLQIEISA-N 1 0 208.309 1.570 10 0 BDAERO CC1(C)CN(C(=O)c2cccnc2)CC[C@H]1[NH3+] ZINC000258997554 136374079 /nfs/dbraw/zinc/37/40/79/136374079.db2.gz BTNLCPALTDQWKW-LLVKDONJSA-N 1 0 233.315 1.281 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)c2c[nH]nc2C)c1 ZINC000080042277 136375053 /nfs/dbraw/zinc/37/50/53/136375053.db2.gz OKQJJWSCGUJTJA-UHFFFAOYSA-N 1 0 244.298 1.690 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(F)cc1Cl ZINC000044232920 343496188 /nfs/dbraw/zinc/49/61/88/343496188.db2.gz MYFORSILFWRWIU-VIFPVBQESA-N 1 0 203.644 1.861 10 0 BDAERO COC[C@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944356 343472487 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/nfs/dbraw/zinc/77/40/84/343774084.db2.gz KOWJQFYHMMEPII-UHFFFAOYSA-N 1 0 224.308 1.287 10 0 BDAERO CC(C)Cn1ccnc(NCC[C@H](C)[NH3+])c1=O ZINC000063171391 187273814 /nfs/dbraw/zinc/27/38/14/187273814.db2.gz SFQILXRVTKCFHD-JTQLQIEISA-N 1 0 238.335 1.049 10 0 BDAERO C[NH2+][C@@H]1CCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000109497289 343786065 /nfs/dbraw/zinc/78/60/65/343786065.db2.gz VJNNMPFPAOHOGI-NXEZZACHSA-N 1 0 244.298 1.987 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000109495208 343786260 /nfs/dbraw/zinc/78/62/60/343786260.db2.gz VPQGSNGBUCBCQT-MNOVXSKESA-N 1 0 244.298 1.987 10 0 BDAERO CNc1cc(N[C@@H](C)COC)nc(C2CC2)[nH+]1 ZINC000126905187 343787259 /nfs/dbraw/zinc/78/72/59/343787259.db2.gz XQGLRBPRZTZVSM-QMMMGPOBSA-N 1 0 236.319 1.843 10 0 BDAERO CC[NH+](CC)CCNc1ccnc(Cl)n1 ZINC000051849342 343788931 /nfs/dbraw/zinc/78/89/31/343788931.db2.gz MGGBPSGYQNONER-UHFFFAOYSA-N 1 0 228.727 1.884 10 0 BDAERO Fc1cccc(-c2nc([C@H]3CC[NH2+]C3)no2)c1 ZINC000216769262 343792436 /nfs/dbraw/zinc/79/24/36/343792436.db2.gz HHYAKKNMLCLEDH-VIFPVBQESA-N 1 0 233.246 1.953 10 0 BDAERO [NH3+]CCn1nc(-c2ccccn2)cc1C1CC1 ZINC000231565948 343794187 /nfs/dbraw/zinc/79/41/87/343794187.db2.gz IUEQSPIRKHGTOF-UHFFFAOYSA-N 1 0 228.299 1.781 10 0 BDAERO COCc1cccc2c1CCN2C(=O)[C@H](C)[NH3+] ZINC000409426802 343799166 /nfs/dbraw/zinc/79/91/66/343799166.db2.gz DALMQSYOHQRDBR-VIFPVBQESA-N 1 0 234.299 1.069 10 0 BDAERO [NH2+]=C(CN1CCCC[C@H]1c1cccnc1)NO ZINC000409427096 343799952 /nfs/dbraw/zinc/79/99/52/343799952.db2.gz HMBARFPUTAWODQ-NSHDSACASA-N 1 0 234.303 1.565 10 0 BDAERO COC[C@H]1CC(F)(F)CN1C1CC[NH2+]CC1 ZINC000409427777 343801665 /nfs/dbraw/zinc/80/16/65/343801665.db2.gz FKDUKDJTFHMHEY-SNVBAGLBSA-N 1 0 234.290 1.094 10 0 BDAERO C[NH2+]Cc1nc(-c2cc(C(C)(C)C)on2)no1 ZINC000409422523 343813732 /nfs/dbraw/zinc/81/37/32/343813732.db2.gz FGNFSWJJTWCFEH-UHFFFAOYSA-N 1 0 236.275 1.742 10 0 BDAERO O=Cc1cn([C@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000409423227 343814921 /nfs/dbraw/zinc/81/49/21/343814921.db2.gz AWBCUSCLSJLEGS-LBPRGKRZSA-N 1 0 234.303 1.280 10 0 BDAERO O=c1c2sccc2ncn1[C@H]1CCC[NH2+]C1 ZINC000409423275 343815243 /nfs/dbraw/zinc/81/52/43/343815243.db2.gz PGXNICGIKWVIRP-QMMMGPOBSA-N 1 0 235.312 1.383 10 0 BDAERO CC(C)CC[N@@H+]1CC[C@H](n2cc(CO)nn2)C1 ZINC000409423278 343815444 /nfs/dbraw/zinc/81/54/44/343815444.db2.gz BEVUUCGTYJCCBF-LBPRGKRZSA-N 1 0 238.335 1.063 10 0 BDAERO C[C@H]([NH3+])C(=O)N1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409423728 343815950 /nfs/dbraw/zinc/81/59/50/343815950.db2.gz AIGGJANGYDBPEA-DJLDLDEBSA-N 1 0 232.274 1.227 10 0 BDAERO [NH3+]Cc1cn2c(n1)CO[C@H](c1ccsc1)C2 ZINC000409425889 343820820 /nfs/dbraw/zinc/82/08/20/343820820.db2.gz CDJSZDJJDBTUDD-JTQLQIEISA-N 1 0 235.312 1.675 10 0 BDAERO COc1ccccc1C[C@@H](C)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309830 187275626 /nfs/dbraw/zinc/27/56/26/187275626.db2.gz XKOIPRQWCRJJQL-TZMCWYRMSA-N 1 0 248.370 1.920 10 0 BDAERO COC[C@@H]1CN(c2ncccc2N)C[C@@H]1C ZINC000409432542 343826942 /nfs/dbraw/zinc/82/69/42/343826942.db2.gz WBBHWJNJZDKDGN-UWVGGRQHSA-N 1 0 221.304 1.383 10 0 BDAERO Cc1nc(Cl)cc(N2CC[NH2+]C[C@H]2C)n1 ZINC000409429720 343806046 /nfs/dbraw/zinc/80/60/46/343806046.db2.gz RZCQSCHROURYLF-SSDOTTSWSA-N 1 0 226.711 1.237 10 0 BDAERO [NH3+]Cc1cc2n(n1)C[C@H](c1ccsc1)OC2 ZINC000409429729 343806059 /nfs/dbraw/zinc/80/60/59/343806059.db2.gz SBQXOGDNOMUFEQ-LLVKDONJSA-N 1 0 235.312 1.675 10 0 BDAERO COC1(C(F)(F)F)CN(C2CC[NH2+]CC2)C1 ZINC000409429881 343806581 /nfs/dbraw/zinc/80/65/81/343806581.db2.gz HYSCBZLSYSJAIT-UHFFFAOYSA-N 1 0 238.253 1.002 10 0 BDAERO Cc1c(C[N@H+]2CCC[C@@H](O)[C@H]2C)cnn1C ZINC000295123953 187351116 /nfs/dbraw/zinc/35/11/16/187351116.db2.gz XQQYWWQLABYBMS-ZYHUDNBSSA-N 1 0 223.320 1.074 10 0 BDAERO c1cn(C[C@H]2CCC[NH2+]2)nc1-c1cnccn1 ZINC000409440734 343854631 /nfs/dbraw/zinc/85/46/31/343854631.db2.gz ONYVLGLWXJBVAD-SNVBAGLBSA-N 1 0 229.287 1.092 10 0 BDAERO CCc1[nH]nc(-c2ccoc2)c1C[NH2+]C ZINC000409442143 343857437 /nfs/dbraw/zinc/85/74/37/343857437.db2.gz WYTBCAJUJOHJPQ-UHFFFAOYSA-N 1 0 205.261 1.952 10 0 BDAERO COC[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CC12CCC2 ZINC000409434505 343829173 /nfs/dbraw/zinc/82/91/73/343829173.db2.gz PPLXZFGQSZGVKC-LBPRGKRZSA-N 1 0 238.375 1.487 10 0 BDAERO CCOC[C@H]1CN(C(=O)C[NH3+])CC12CCCC2 ZINC000409433738 343830288 /nfs/dbraw/zinc/83/02/88/343830288.db2.gz NHNQMZWDJUKUSN-LLVKDONJSA-N 1 0 240.347 1.000 10 0 BDAERO CCOC[C@]1(C(F)(F)F)CC[N@H+](CCO)C1 ZINC000409435599 343834215 /nfs/dbraw/zinc/83/42/15/343834215.db2.gz VQFJGLARWKKYFW-VIFPVBQESA-N 1 0 241.253 1.270 10 0 BDAERO Nc1cc(C2CCC2)nn1[C@@H]1CCC[NH2+]C1 ZINC000409437549 343840642 /nfs/dbraw/zinc/84/06/42/343840642.db2.gz HZPXBMWAYSVLGF-SNVBAGLBSA-N 1 0 220.320 1.657 10 0 BDAERO CC(C)c1[nH]nc(-c2cnccn2)c1C[NH3+] ZINC000409439109 343846620 /nfs/dbraw/zinc/84/66/20/343846620.db2.gz GZJUXERYQCLABA-UHFFFAOYSA-N 1 0 217.276 1.449 10 0 BDAERO [NH3+]CCCn1ccn2nc(-c3ccoc3)cc12 ZINC000409439611 343847897 /nfs/dbraw/zinc/84/78/97/343847897.db2.gz SNUUVCFHWUGSEE-UHFFFAOYSA-N 1 0 230.271 1.745 10 0 BDAERO Nc1cc(C2CCC2)nn1C[C@H]1CCC[NH2+]C1 ZINC000409438170 343849713 /nfs/dbraw/zinc/84/97/13/343849713.db2.gz KIRVGYLGPZGEIZ-JTQLQIEISA-N 1 0 234.347 1.732 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cn[nH]c2)c2ccccc21 ZINC000616590184 349878418 /nfs/dbraw/zinc/87/84/18/349878418.db2.gz XEGXTXDBVLDKHF-GFCCVEGCSA-N 1 0 242.326 1.710 10 0 BDAERO CCc1[nH]nc(-c2cccnc2)c1CC[NH3+] ZINC000409440327 343851900 /nfs/dbraw/zinc/85/19/00/343851900.db2.gz MPHOXTXQUOHUIW-UHFFFAOYSA-N 1 0 216.288 1.535 10 0 BDAERO CCn1ccn2nc(C3CC3)c(C(N)=[NH2+])c12 ZINC000409440641 343852799 /nfs/dbraw/zinc/85/27/99/343852799.db2.gz YEPVKILKMNPVLU-UHFFFAOYSA-N 1 0 217.276 1.317 10 0 BDAERO CSC[C@@H](C)N(C)c1cc(C)ncn1 ZINC000301341731 187354033 /nfs/dbraw/zinc/35/40/33/187354033.db2.gz QPTDRODCWHEZFD-SECBINFHSA-N 1 0 211.334 1.973 10 0 BDAERO NC(=[NH2+])CCc1c[nH]nc1-c1ccncc1 ZINC000409442233 343857718 /nfs/dbraw/zinc/85/77/18/343857718.db2.gz XUJFRJZDHRKJRY-UHFFFAOYSA-N 1 0 215.260 1.340 10 0 BDAERO NC(=[NH2+])CCc1c[nH]nc1-c1ccccn1 ZINC000409441900 343861977 /nfs/dbraw/zinc/86/19/77/343861977.db2.gz UONSGGKOUVXJTI-UHFFFAOYSA-N 1 0 215.260 1.340 10 0 BDAERO CC1([NH2+]C[C@H]2CSCCN2)CCCC1 ZINC000127163403 343884928 /nfs/dbraw/zinc/88/49/28/343884928.db2.gz PNXARJSWOUZWJB-JTQLQIEISA-N 1 0 214.378 1.614 10 0 BDAERO [NH3+]Cc1cc(-c2cccnc2)nn1CC1CC1 ZINC000409443550 343867731 /nfs/dbraw/zinc/86/77/31/343867731.db2.gz PFMALCDEMNAZFB-UHFFFAOYSA-N 1 0 228.299 1.814 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)[C@H]1CO ZINC000299913752 349882262 /nfs/dbraw/zinc/88/22/62/349882262.db2.gz RDAQATLWWSDMAY-SCVCMEIPSA-N 1 0 211.305 1.201 10 0 BDAERO Cc1nc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])sc1C ZINC000082921455 133508298 /nfs/dbraw/zinc/50/82/98/133508298.db2.gz FXBSDLNBJJGVQM-IUCAKERBSA-N 1 0 239.344 1.826 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nncs2)C1 ZINC000069967618 343945217 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/nfs/dbraw/zinc/85/19/18/345851918.db2.gz MMSVRRULHDWCMN-XFLKPENQSA-N 1 0 229.279 1.967 10 0 BDAERO CCn1nc2c(c1C1CC[NH2+]CC1)CCC2 ZINC000140609852 345855879 /nfs/dbraw/zinc/85/58/79/345855879.db2.gz NTLAIPNGSZBJBB-UHFFFAOYSA-N 1 0 219.332 1.859 10 0 BDAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@@H]1CCCO1 ZINC000183609430 187309843 /nfs/dbraw/zinc/30/98/43/187309843.db2.gz PPVBCDMVHRERMF-PUPMMZHASA-N 1 0 247.338 1.802 10 0 BDAERO C[N@H+]1CC=C(c2c[nH]c3ccc(N)nc23)CC1 ZINC000034591435 345834736 /nfs/dbraw/zinc/83/47/36/345834736.db2.gz VDFCYSIJRNRTTL-UHFFFAOYSA-N 1 0 228.299 1.864 10 0 BDAERO CC(=O)c1ccc2c(c1)[C@@H]([NH3+])[C@H](O)C(C)(C)O2 ZINC000034615690 345837861 /nfs/dbraw/zinc/83/78/61/345837861.db2.gz AECGYOKFJFSDKI-NEPJUHHUSA-N 1 0 235.283 1.421 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)c1ccccc1 ZINC000143069499 345888895 /nfs/dbraw/zinc/88/88/95/345888895.db2.gz LGDKQHGFWOMPFQ-MWLCHTKSSA-N 1 0 220.272 1.446 10 0 BDAERO Cc1ccc([S@@](=O)CC2CC[NH2+]CC2)nc1 ZINC000095069068 178933541 /nfs/dbraw/zinc/93/35/41/178933541.db2.gz ZDYKZFNZCCTZLN-MRXNPFEDSA-N 1 0 238.356 1.497 10 0 BDAERO [NH3+]CC1([C@@H](O)c2occc2Br)CC1 ZINC000306574903 537915441 /nfs/dbraw/zinc/91/54/41/537915441.db2.gz RZZHVDBJNOTBLC-QMMMGPOBSA-N 1 0 246.104 1.814 10 0 BDAERO CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000310063448 187311757 /nfs/dbraw/zinc/31/17/57/187311757.db2.gz WMMKYRLMGOUZGV-OLZOCXBDSA-N 1 0 237.347 1.574 10 0 BDAERO Cc1ccsc1[C@H]([NH3+])CC1OCCO1 ZINC000235807790 345917264 /nfs/dbraw/zinc/91/72/64/345917264.db2.gz JVJUSMXBRXMRCO-MRVPVSSYSA-N 1 0 213.302 1.819 10 0 BDAERO C[NH2+]CC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000083931644 345920642 /nfs/dbraw/zinc/92/06/42/345920642.db2.gz USZMNPSPCDHFRU-LBPRGKRZSA-N 1 0 233.315 1.355 10 0 BDAERO CCOCC1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000083887814 345920819 /nfs/dbraw/zinc/92/08/19/345920819.db2.gz CSWIFRQXEDTJCD-GFCCVEGCSA-N 1 0 240.347 1.014 10 0 BDAERO [NH3+]Cc1nc2cc(Br)cnc2s1 ZINC000215891164 349940944 /nfs/dbraw/zinc/94/09/44/349940944.db2.gz IQDSNHTUKRCAOX-UHFFFAOYSA-N 1 0 244.117 1.913 10 0 BDAERO C[C@@H]1[C@H](C)CN(CC(F)(F)CN)[C@H]1C ZINC000307499334 537923656 /nfs/dbraw/zinc/92/36/56/537923656.db2.gz LIHDAWTXLCFNEI-HLTSFMKQSA-N 1 0 206.280 1.557 10 0 BDAERO CNc1cc(N2CCSCC2)nc(C)[nH+]1 ZINC000087806335 345942195 /nfs/dbraw/zinc/94/21/95/345942195.db2.gz NGGRWRRUODSTOZ-UHFFFAOYSA-N 1 0 224.333 1.380 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H](O)[C@H]1CC[NH3+] ZINC000096985391 187362705 /nfs/dbraw/zinc/36/27/05/187362705.db2.gz AEJJLEALNBGSRU-NXEZZACHSA-N 1 0 244.335 1.096 10 0 BDAERO CCc1nc(CC[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)no1 ZINC000381490332 346040100 /nfs/dbraw/zinc/04/01/00/346040100.db2.gz XHBSNFDVYUIQKC-KXUCPTDWSA-N 1 0 223.320 1.809 10 0 BDAERO CC(C)C[C@](C)(C[NH3+])N1CCOCC1 ZINC000019438800 187313948 /nfs/dbraw/zinc/31/39/48/187313948.db2.gz OANYWVXDBLQPAS-LLVKDONJSA-N 1 0 200.326 1.082 10 0 BDAERO c1nnn(C2C[NH2+]C2)c1-c1ccccc1 ZINC000685952018 537941999 /nfs/dbraw/zinc/94/19/99/537941999.db2.gz PCVZGULRDBKDGN-UHFFFAOYSA-N 1 0 200.245 1.089 10 0 BDAERO OCC1(C[C@H]2CO2)CC[NH+](C2CC2)CC1 ZINC000669372113 537948839 /nfs/dbraw/zinc/94/88/39/537948839.db2.gz JFQDVQDDGUSPGK-NSHDSACASA-N 1 0 211.305 1.012 10 0 BDAERO OCC1(C[C@@H]2CO2)CC[NH+](C2CC2)CC1 ZINC000669372110 537948102 /nfs/dbraw/zinc/94/81/02/537948102.db2.gz JFQDVQDDGUSPGK-LLVKDONJSA-N 1 0 211.305 1.012 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2ccccc2C)C(=O)O1 ZINC000077330563 537943077 /nfs/dbraw/zinc/94/30/77/537943077.db2.gz UUXSEZQUAVMZJI-SNVBAGLBSA-N 1 0 220.272 1.540 10 0 BDAERO C[C@@H]1CC[C@H]([C@@H]2[NH2+]CC[C@H](C)S2)O1 ZINC000149980334 346166167 /nfs/dbraw/zinc/16/61/67/346166167.db2.gz FIWRMMVONAPWPW-UTINFBMNSA-N 1 0 201.335 1.995 10 0 BDAERO Cc1ccc(-c2cnn(C)c2)c(C[NH3+])n1 ZINC000669372737 537950498 /nfs/dbraw/zinc/95/04/98/537950498.db2.gz YGWXDNSTIUSZJM-UHFFFAOYSA-N 1 0 202.261 1.249 10 0 BDAERO CC(C)C(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675054650 537953386 /nfs/dbraw/zinc/95/33/86/537953386.db2.gz IJTURNQCWFKYCK-UHFFFAOYSA-N 1 0 224.348 1.776 10 0 BDAERO C[N@@H+]1CC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000061987508 346186647 /nfs/dbraw/zinc/18/66/47/346186647.db2.gz OZUFLVOSWWJUEO-LLVKDONJSA-N 1 0 211.692 1.863 10 0 BDAERO CC(C)Cc1nnc2scc(C[NH3+])n12 ZINC000082533444 187317764 /nfs/dbraw/zinc/31/77/64/187317764.db2.gz VIOSIKKPCJMAHM-UHFFFAOYSA-N 1 0 210.306 1.448 10 0 BDAERO Cc1cccc(C(=O)NC2CC([NH3+])C2)c1 ZINC000036237094 179014993 /nfs/dbraw/zinc/01/49/93/179014993.db2.gz DSFCYTNMRWMSGJ-UHFFFAOYSA-N 1 0 204.273 1.215 10 0 BDAERO Cc1cccc(C(=O)NCCC[NH+](C)C)c1N ZINC000022220661 179015757 /nfs/dbraw/zinc/01/57/57/179015757.db2.gz VOTDNQSSVBFALL-UHFFFAOYSA-N 1 0 235.331 1.259 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1ccncc1Cl ZINC000083346822 187319346 /nfs/dbraw/zinc/31/93/46/187319346.db2.gz QRNPQGLPRNPFRQ-JTQLQIEISA-N 1 0 211.696 1.311 10 0 BDAERO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)C2)c1N ZINC000042543573 179022283 /nfs/dbraw/zinc/02/22/83/179022283.db2.gz YGUJTUIGFASFNX-SNVBAGLBSA-N 1 0 233.315 1.011 10 0 BDAERO CO[C@H](C)C[N@@H+]1CCC[NH2+]C(C)(C)C1 ZINC000167633728 346293426 /nfs/dbraw/zinc/29/34/26/346293426.db2.gz HDPXMEDBKBLORQ-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO CCC[C@H](C[NH3+])[C@H](O)c1cnsc1 ZINC000669377787 537966771 /nfs/dbraw/zinc/96/67/71/537966771.db2.gz WJSUGWRLBWGHTM-APPZFPTMSA-N 1 0 200.307 1.552 10 0 BDAERO [NH3+][C@@H](C1=CCCCO1)[C@@H]1CSCCO1 ZINC000167619891 346289916 /nfs/dbraw/zinc/28/99/16/346289916.db2.gz PVONNTWETPTLGT-UWVGGRQHSA-N 1 0 215.318 1.140 10 0 BDAERO Cc1cccc(C)c1OC[C@](C)(O)C[NH3+] ZINC000019668019 179048168 /nfs/dbraw/zinc/04/81/68/179048168.db2.gz GSGXJAXAQNOPDJ-GFCCVEGCSA-N 1 0 209.289 1.392 10 0 BDAERO COCc1nc(C[NH2+]CC[C@@H](C)OC)cs1 ZINC000381557394 346345886 /nfs/dbraw/zinc/34/58/86/346345886.db2.gz PQEWEKJFSDRNNN-SECBINFHSA-N 1 0 244.360 1.804 10 0 BDAERO [NH3+]CCC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000069729739 349953975 /nfs/dbraw/zinc/95/39/75/349953975.db2.gz UMHKQPVKRYBQBU-UHFFFAOYSA-N 1 0 238.253 1.526 10 0 BDAERO C[C@@H]1CC[C@@H](n2cc(C[NH3+])nn2)C[C@@H]1C ZINC000082844375 537970612 /nfs/dbraw/zinc/97/06/12/537970612.db2.gz FUHQHVSKCIFJBA-WCABBAIRSA-N 1 0 208.309 1.734 10 0 BDAERO CC(C)N1CCC[N@@H+]([C@H]2CCCC[C@H]2O)CC1 ZINC000336388008 187367335 /nfs/dbraw/zinc/36/73/35/187367335.db2.gz SRXHFYNGICKUBE-UONOGXRCSA-N 1 0 240.391 1.706 10 0 BDAERO Cc1cccc(CN(CC[NH3+])C[C@@H]2CCCO2)c1 ZINC000032103943 179071974 /nfs/dbraw/zinc/07/19/74/179071974.db2.gz GLEHDFCKVDHPNN-HNNXBMFYSA-N 1 0 248.370 1.935 10 0 BDAERO Cc1cccc(CN2CC[NH2+][C@H](C)CC2)n1 ZINC000051577682 179079427 /nfs/dbraw/zinc/07/94/27/179079427.db2.gz PUDCBASKJLEUJB-LLVKDONJSA-N 1 0 219.332 1.574 10 0 BDAERO Cc1cccc(C[N@H+]2CCC[C@H](O)[C@H]2C)n1 ZINC000335598075 179076493 /nfs/dbraw/zinc/07/64/93/179076493.db2.gz SOEXZRWNYBUNRK-YPMHNXCESA-N 1 0 220.316 1.735 10 0 BDAERO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000380018115 365810516 /nfs/dbraw/zinc/81/05/16/365810516.db2.gz VCCQLZDCSHCHJD-QWHCGFSZSA-N 1 0 205.301 1.774 10 0 BDAERO CC1CC(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000381616764 346441051 /nfs/dbraw/zinc/44/10/51/346441051.db2.gz VTVVSSXKZIRFCU-SEQHWMEXSA-N 1 0 210.321 1.241 10 0 BDAERO CCC[C@H](C)C(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241826 537980709 /nfs/dbraw/zinc/98/07/09/537980709.db2.gz RHDKCMZKHJVDRV-NSHDSACASA-N 1 0 224.348 1.777 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000170858268 346462850 /nfs/dbraw/zinc/46/28/50/346462850.db2.gz FDNJALFJTOYKKR-NEPJUHHUSA-N 1 0 222.332 1.505 10 0 BDAERO CCC(F)(F)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000641798945 362746965 /nfs/dbraw/zinc/74/69/65/362746965.db2.gz RDTFOUKGDXPLBE-AEJSXWLSSA-N 1 0 218.291 1.701 10 0 BDAERO OCC1CCN([C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241790 537981230 /nfs/dbraw/zinc/98/12/30/537981230.db2.gz PXVDNKDDHSEWDC-KBPBESRZSA-N 1 0 238.375 1.318 10 0 BDAERO CCOc1nccnc1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000574976691 346477489 /nfs/dbraw/zinc/47/74/89/346477489.db2.gz UPUZCPLSXZBDLL-NXEZZACHSA-N 1 0 236.319 1.049 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](COCc2ccccc2)O1 ZINC000069906797 349967828 /nfs/dbraw/zinc/96/78/28/349967828.db2.gz BPKMYZYXINIHQK-DGCLKSJQSA-N 1 0 221.300 1.580 10 0 BDAERO CN1CCCC[C@H]([NH3+])[C@@H]1c1cncs1 ZINC000161706911 346497223 /nfs/dbraw/zinc/49/72/23/346497223.db2.gz MSSYEIACKNXWMX-WCBMZHEXSA-N 1 0 211.334 1.627 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000069909696 349968727 /nfs/dbraw/zinc/96/87/27/349968727.db2.gz GUELJAYSQLZCBR-AEJSXWLSSA-N 1 0 230.377 1.466 10 0 BDAERO Cc1cccc(C[C@H](O)C[NH2+]C(C)C)c1 ZINC000071510619 179105562 /nfs/dbraw/zinc/10/55/62/179105562.db2.gz IOSUSIYJWCXMLS-ZDUSSCGKSA-N 1 0 207.317 1.896 10 0 BDAERO CCN([C@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000249988811 346500215 /nfs/dbraw/zinc/50/02/15/346500215.db2.gz MSWAWOKCLQEBBA-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO Cc1cccc(C[C@H]2C[NH2+]CC[C@@H]2O)c1 ZINC000071509476 179106311 /nfs/dbraw/zinc/10/63/11/179106311.db2.gz BFVUDLQETVYXCS-STQMWFEESA-N 1 0 205.301 1.508 10 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Cc1ccsc1[C@@H](C[NH3+])N1CCCO1 ZINC000164175784 346593949 /nfs/dbraw/zinc/59/39/49/346593949.db2.gz YJFALRQFKJFIFN-SECBINFHSA-N 1 0 212.318 1.694 10 0 BDAERO C[C@H]([NH3+])[C@H](c1cccs1)N1CCCO1 ZINC000164182934 346595094 /nfs/dbraw/zinc/59/50/94/346595094.db2.gz HZCWFPUOGGSMGN-WCBMZHEXSA-N 1 0 212.318 1.774 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COCC(C)C ZINC000300391274 346612817 /nfs/dbraw/zinc/61/28/17/346612817.db2.gz VKRSFFCDYJLFNR-UPJWGTAASA-N 1 0 229.364 1.798 10 0 BDAERO Cc1cccc(N)c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000020217555 179119820 /nfs/dbraw/zinc/11/98/20/179119820.db2.gz GRMPPTINRZYGRX-UHFFFAOYSA-N 1 0 247.342 1.355 10 0 BDAERO Cc1cc(C(N)=[NH2+])cnc1Br ZINC000585672748 346652271 /nfs/dbraw/zinc/65/22/71/346652271.db2.gz YKWDMNCMHGIIBJ-UHFFFAOYSA-N 1 0 214.066 1.437 10 0 BDAERO Cc1cccc(NC(=O)C[NH2+]C(C)(C)CO)c1 ZINC000035102002 179128345 /nfs/dbraw/zinc/12/83/45/179128345.db2.gz NDVHCDHHRCENAO-UHFFFAOYSA-N 1 0 236.315 1.294 10 0 BDAERO CSC1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000300927390 346663528 /nfs/dbraw/zinc/66/35/28/346663528.db2.gz ZJQMTUBNGMSMGK-NSHDSACASA-N 1 0 244.404 1.714 10 0 BDAERO Cc1cccc(NC(=O)C[C@@H](C)C[NH3+])c1 ZINC000076583688 179129921 /nfs/dbraw/zinc/12/99/21/179129921.db2.gz AIIFDUAZCPNGPN-SNVBAGLBSA-N 1 0 206.289 1.918 10 0 BDAERO CC(C)(C)CC[C@@]1([NH3+])CCS(=O)(=O)C1 ZINC000167468336 346710086 /nfs/dbraw/zinc/71/00/86/346710086.db2.gz ZXWIVVHYGFMXGM-SNVBAGLBSA-N 1 0 219.350 1.329 10 0 BDAERO Cc1cccc(NC[C@H]2CC[N@@H+](C)C2)n1 ZINC000037670762 179148927 /nfs/dbraw/zinc/14/89/27/179148927.db2.gz JIKRFHRAYCIAJC-LLVKDONJSA-N 1 0 205.305 1.754 10 0 BDAERO C[C@H]1CC[C@@]2(C1)[NH2+]CCc1ncn(C)c12 ZINC000725242719 537985302 /nfs/dbraw/zinc/98/53/02/537985302.db2.gz MUSNDBBYHNIXQJ-CABZTGNLSA-N 1 0 205.305 1.581 10 0 BDAERO [NH3+]C[C@]1(Cc2nccs2)CCCS1 ZINC000166495025 346677697 /nfs/dbraw/zinc/67/76/97/346677697.db2.gz KCDZIEHBPIOYGZ-SECBINFHSA-N 1 0 214.359 1.910 10 0 BDAERO COC[C@]1(C(=O)OC(C)(C)C)CCC[NH2+]C1 ZINC000725242638 537985486 /nfs/dbraw/zinc/98/54/86/537985486.db2.gz PJBMOVBTDXMMOH-LBPRGKRZSA-N 1 0 229.320 1.344 10 0 BDAERO Cc1cccc(NCCN2CC[NH+](C)CC2)c1C ZINC000041300023 179145360 /nfs/dbraw/zinc/14/53/60/179145360.db2.gz NYHBFENKTBLRNQ-UHFFFAOYSA-N 1 0 247.386 1.963 10 0 BDAERO CCC[C@@H](OC)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242708 537985509 /nfs/dbraw/zinc/98/55/09/537985509.db2.gz LTVZNSQCAFWOLN-MNOVXSKESA-N 1 0 223.320 1.422 10 0 BDAERO CNC(=O)N(c1ccccc1)C1CC[NH2+]CC1 ZINC000168782794 346742903 /nfs/dbraw/zinc/74/29/03/346742903.db2.gz OZTRDLPPCYDQOM-UHFFFAOYSA-N 1 0 233.315 1.584 10 0 BDAERO Cc1cccc(OCC[NH2+]CC(=O)N(C)C)c1 ZINC000049899786 179168015 /nfs/dbraw/zinc/16/80/15/179168015.db2.gz FZNZRFJBGAFZPT-UHFFFAOYSA-N 1 0 236.315 1.052 10 0 BDAERO COC[C@@]1(C(=O)OC(C)(C)C)CCC[NH2+]C1 ZINC000725242637 537986683 /nfs/dbraw/zinc/98/66/83/537986683.db2.gz PJBMOVBTDXMMOH-GFCCVEGCSA-N 1 0 229.320 1.344 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1cnccn1 ZINC000184595607 347168792 /nfs/dbraw/zinc/16/87/92/347168792.db2.gz BJBJTCHUYAGPKQ-STQMWFEESA-N 1 0 248.374 1.954 10 0 BDAERO CC(C)[C@@H](C)C(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669380305 537986881 /nfs/dbraw/zinc/98/68/81/537986881.db2.gz KZNJCPDWWFLRAJ-KCJUWKMLSA-N 1 0 236.306 1.767 10 0 BDAERO CC(C)[C@H](C)c1nc([C@H]2CC[NH2+]C2)no1 ZINC000669380255 537986962 /nfs/dbraw/zinc/98/69/62/537986962.db2.gz KOOYMNUWVOXJLR-IUCAKERBSA-N 1 0 209.293 1.906 10 0 BDAERO CC(C)[C@H](C)C(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669380307 537987171 /nfs/dbraw/zinc/98/71/71/537987171.db2.gz KZNJCPDWWFLRAJ-KWQFWETISA-N 1 0 236.306 1.767 10 0 BDAERO OCC12CC(C[NH+]3CCCCCC3)(C1)OC2 ZINC000669380312 537987687 /nfs/dbraw/zinc/98/76/87/537987687.db2.gz XBLAGLWNQVDFRG-UHFFFAOYSA-N 1 0 225.332 1.404 10 0 BDAERO CC[N@H+](C(C)C)[C@@H]1CC2(CC[C@H]1N)OCCO2 ZINC000250095943 362786929 /nfs/dbraw/zinc/78/69/29/362786929.db2.gz XUYQYKGHIQJNQT-VXGBXAGGSA-N 1 0 242.363 1.340 10 0 BDAERO Cc1cccc([C@@](O)(C[NH3+])C(F)(F)F)c1 ZINC000062784495 179191279 /nfs/dbraw/zinc/19/12/79/179191279.db2.gz BGCRWOGKQSKVPS-VIFPVBQESA-N 1 0 219.206 1.704 10 0 BDAERO C[C@H]([NH3+])c1ccc(Cn2ccnc2)cc1 ZINC000059834942 347230660 /nfs/dbraw/zinc/23/06/60/347230660.db2.gz HYXVSPFIELVLJR-JTQLQIEISA-N 1 0 201.273 1.951 10 0 BDAERO c1ccc(COCCCCN[C@@H]2CC[NH2+]C2)cc1 ZINC000390588253 259394570 /nfs/dbraw/zinc/39/45/70/259394570.db2.gz OQPMDJKPGOMGNY-OAHLLOKOSA-N 1 0 248.370 1.935 10 0 BDAERO C[C@@H]([NH3+])c1ccc(SC2COC2)cn1 ZINC000149473299 347236469 /nfs/dbraw/zinc/23/64/69/347236469.db2.gz KVLXYKRWZCBBLN-SSDOTTSWSA-N 1 0 210.302 1.592 10 0 BDAERO CC[S@](=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000250245629 362797499 /nfs/dbraw/zinc/79/74/99/362797499.db2.gz OZTVDEDDOWILPD-BREBYQMCSA-N 1 0 203.351 1.805 10 0 BDAERO CC(C)[C@@H](C)C(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669380308 537988290 /nfs/dbraw/zinc/98/82/90/537988290.db2.gz KZNJCPDWWFLRAJ-LDYMZIIASA-N 1 0 236.306 1.767 10 0 BDAERO C[C@@H]1C(=O)NCCC[N@H+]1CC1CCCCC1 ZINC000189084584 347295356 /nfs/dbraw/zinc/29/53/56/347295356.db2.gz NHWVXOIWXCMEEN-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N(CCO)C(C)C)c1 ZINC000042967496 179198594 /nfs/dbraw/zinc/19/85/94/179198594.db2.gz KTJXMJHPTSFXKH-AWEZNQCLSA-N 1 0 236.359 1.698 10 0 BDAERO CC(C)[S@](=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000250576009 362810999 /nfs/dbraw/zinc/81/09/99/362810999.db2.gz OEOJTNBFASFNJD-BREBYQMCSA-N 1 0 203.351 1.804 10 0 BDAERO CC(C)(C)[S@](=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000250598936 362811843 /nfs/dbraw/zinc/81/18/43/362811843.db2.gz VXLOTHLDGMXIKD-JRKPZEMJSA-N 1 0 203.351 1.804 10 0 BDAERO C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCSC2)C1 ZINC000250715514 362818165 /nfs/dbraw/zinc/81/81/65/362818165.db2.gz GZRAJPODPKZBQG-QWRGUYRKSA-N 1 0 214.378 1.423 10 0 BDAERO Cc1cccc2c1[S@](=O)CCC[C@H]2[NH3+] ZINC000040977678 179225928 /nfs/dbraw/zinc/22/59/28/179225928.db2.gz KBOZLKPYMGDABD-YGRLFVJLSA-N 1 0 209.314 1.896 10 0 BDAERO CCOCCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000388468754 347418622 /nfs/dbraw/zinc/41/86/22/347418622.db2.gz LIBRTVKCKVMYPS-GFCCVEGCSA-N 1 0 242.363 1.309 10 0 BDAERO CC(C)C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCC1 ZINC000616568599 347448799 /nfs/dbraw/zinc/44/87/99/347448799.db2.gz BWGWIXSWIFPNPS-CHWSQXEVSA-N 1 0 238.375 1.927 10 0 BDAERO Cc1c(C[NH3+])cnn1-c1ccccc1C ZINC000048218306 179241938 /nfs/dbraw/zinc/24/19/38/179241938.db2.gz UBRGRWHIKCXKAY-UHFFFAOYSA-N 1 0 201.273 1.948 10 0 BDAERO Cc1ccccc1-n1cncc1CC[NH3+] ZINC000076638188 179243013 /nfs/dbraw/zinc/24/30/13/179243013.db2.gz WNESOQDJZVLILJ-UHFFFAOYSA-N 1 0 201.273 1.682 10 0 BDAERO CC[C@H](C(N)=[NH2+])N1CCSC[C@H]1C ZINC000251197246 362844789 /nfs/dbraw/zinc/84/47/89/362844789.db2.gz FGWBPIZKBJROKJ-HTQZYQBOSA-N 1 0 201.339 1.138 10 0 BDAERO Cc1c([C@H](C)[NH3+])nnn1-c1ccccc1C ZINC000036917129 179243693 /nfs/dbraw/zinc/24/36/93/179243693.db2.gz ATOSMCOZHCSOHB-VIFPVBQESA-N 1 0 216.288 1.904 10 0 BDAERO Cc1ccccc1C(=O)NCCCCC[NH3+] ZINC000070626805 179249164 /nfs/dbraw/zinc/24/91/64/179249164.db2.gz FCMHARNLPHKHOD-UHFFFAOYSA-N 1 0 220.316 1.854 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000036779347 347578210 /nfs/dbraw/zinc/57/82/10/347578210.db2.gz JQGPMZIHMZDYAL-NEPJUHHUSA-N 1 0 225.288 1.475 10 0 BDAERO Cc1ccccc1CCN1C[C@H](C[NH3+])CC1=O ZINC000077364385 179262789 /nfs/dbraw/zinc/26/27/89/179262789.db2.gz VCRWFLUVUKLZEL-LBPRGKRZSA-N 1 0 232.327 1.345 10 0 BDAERO Cc1ccccc1CCN1CCC[NH2+]CC1 ZINC000041231912 179262865 /nfs/dbraw/zinc/26/28/65/179262865.db2.gz RTQXVUVSVZWOPY-UHFFFAOYSA-N 1 0 218.344 1.833 10 0 BDAERO Cc1ccccc1CC[C@H]1COCC[NH2+]1 ZINC000071509383 179266624 /nfs/dbraw/zinc/26/66/24/179266624.db2.gz BNCZGCOZFUINSP-ZDUSSCGKSA-N 1 0 205.301 1.916 10 0 BDAERO Cc1cc2nc(C3C[NH2+]C3)nn2c(O)c1C(C)C ZINC000725243264 537991350 /nfs/dbraw/zinc/99/13/50/537991350.db2.gz TUVOCYKTHHLABL-UHFFFAOYSA-N 1 0 246.314 1.554 10 0 BDAERO Cc1ccccc1C[NH2+]C(C)(C)C(N)=O ZINC000040673967 179280960 /nfs/dbraw/zinc/28/09/60/179280960.db2.gz FEYZLGAUJILDIW-UHFFFAOYSA-N 1 0 206.289 1.349 10 0 BDAERO Cc1ccccc1CN1C[C@H]([NH3+])CC1=O ZINC000009280446 179276599 /nfs/dbraw/zinc/27/65/99/179276599.db2.gz CCZPHNVKEYHNRF-LLVKDONJSA-N 1 0 204.273 1.055 10 0 BDAERO CC[C@H](C)[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000592392288 347776001 /nfs/dbraw/zinc/77/60/01/347776001.db2.gz VJCXNWMWKAWFIV-WDEREUQCSA-N 1 0 200.326 1.047 10 0 BDAERO Cc1ccccc1C[C@H]([NH3+])Cc1ncc[nH]1 ZINC000036946765 179291861 /nfs/dbraw/zinc/29/18/61/179291861.db2.gz HBSMMIPKRKWVLS-LBPRGKRZSA-N 1 0 215.300 1.831 10 0 BDAERO Cc1ccccc1C[C@H](O)C[NH2+]C(C)C ZINC000071510617 179292299 /nfs/dbraw/zinc/29/22/99/179292299.db2.gz BMRGNWJMXYTMRM-ZDUSSCGKSA-N 1 0 207.317 1.896 10 0 BDAERO Cc1ccccc1N(CCC[NH3+])C[C@@H](C)C(N)=O ZINC000037226985 179296311 /nfs/dbraw/zinc/29/63/11/179296311.db2.gz CPZPMSGJDRCXPV-GFCCVEGCSA-N 1 0 249.358 1.272 10 0 BDAERO CC[C@@H]([NH3+])CNc1ccccc1S(C)(=O)=O ZINC000082579325 347858454 /nfs/dbraw/zinc/85/84/54/347858454.db2.gz VKLYIIBDKNSOCC-SECBINFHSA-N 1 0 242.344 1.239 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000043300022 179324239 /nfs/dbraw/zinc/32/42/39/179324239.db2.gz DHHADQPCRZGIDA-PWSUYJOCSA-N 1 0 239.340 1.430 10 0 BDAERO C[C@@H]1C[C@@H](C)[NH2+][C@@H](CN2CCOCC2)C1 ZINC000669381450 537995395 /nfs/dbraw/zinc/99/53/95/537995395.db2.gz KDZZVAZWIAEFCR-IJLUTSLNSA-N 1 0 212.337 1.095 10 0 BDAERO Cc1ccccc1[C@@H]1NC(=O)CC[C@H]1[NH3+] ZINC000057492411 179331597 /nfs/dbraw/zinc/33/15/97/179331597.db2.gz YLFMEIOGDGFVIH-PWSUYJOCSA-N 1 0 204.273 1.273 10 0 BDAERO Cc1cc(C)n([C@@H](C[NH3+])C(F)(F)F)n1 ZINC000037169742 348024859 /nfs/dbraw/zinc/02/48/59/348024859.db2.gz XGOFZZJUTNHOBO-ZETCQYMHSA-N 1 0 207.199 1.562 10 0 BDAERO CN(c1cc[nH+]cc1N)[C@@H]1CCSC1 ZINC000037174398 348030812 /nfs/dbraw/zinc/03/08/12/348030812.db2.gz YZXDZJBXEZXYOG-MRVPVSSYSA-N 1 0 209.318 1.606 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])N1CCC[C@H](O)C1 ZINC000043035254 179341522 /nfs/dbraw/zinc/34/15/22/179341522.db2.gz DCHQOBKKBIXCLY-JSGCOSHPSA-N 1 0 234.343 1.452 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])Sc1nncn1C ZINC000043041018 179341855 /nfs/dbraw/zinc/34/18/55/179341855.db2.gz KFGXWCDBSWNEKU-NSHDSACASA-N 1 0 248.355 1.916 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])N(CCO)C1CC1 ZINC000043037113 179342843 /nfs/dbraw/zinc/34/28/43/179342843.db2.gz FMRNYCXMTQHMRF-AWEZNQCLSA-N 1 0 234.343 1.452 10 0 BDAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(CCO)C1CC1 ZINC000043037118 179346366 /nfs/dbraw/zinc/34/63/66/179346366.db2.gz MFDFWDSDOIEKIJ-DOMZBBRYSA-N 1 0 248.370 1.840 10 0 BDAERO C/C=C(/C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1CC ZINC000616571065 348096347 /nfs/dbraw/zinc/09/63/47/348096347.db2.gz PCRLYVLOCQGGSD-MTUFZTHRSA-N 1 0 210.321 1.457 10 0 BDAERO Cc1cccnc1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235618594 179361892 /nfs/dbraw/zinc/36/18/92/179361892.db2.gz ZVFPLRCBOMHJBT-CMPLNLGQSA-N 1 0 247.342 1.589 10 0 BDAERO O=C(Cc1ccccc1)N[C@@]12CC[C@@H]1C[NH2+]C2 ZINC000616571459 348201142 /nfs/dbraw/zinc/20/11/42/348201142.db2.gz GTUUKPUEOJRSCG-TZMCWYRMSA-N 1 0 230.311 1.097 10 0 BDAERO O=c1cc([C@H]2CCC[NH2+]2)nc(CC2CC2)[nH]1 ZINC000669382204 537998789 /nfs/dbraw/zinc/99/87/89/537998789.db2.gz ITQBEWTZXYCZDI-SECBINFHSA-N 1 0 219.288 1.559 10 0 BDAERO C[C@@H]1C[C@@]2(C[N@@H+]1C)N[C@H](C)CCS2 ZINC000251669714 362896251 /nfs/dbraw/zinc/89/62/51/362896251.db2.gz LLMDCLVWLMSBFL-OPRDCNLKSA-N 1 0 200.351 1.522 10 0 BDAERO C[C@@H]1CC[C@H]([C@H]2[NH2+]C(C)(C)CS2)O1 ZINC000251690149 362898462 /nfs/dbraw/zinc/89/84/62/362898462.db2.gz HEGICZLQKJPMMY-HLTSFMKQSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@@H](C[NH+]1C[C@@H](C)S[C@H](C)C1)C(N)=S ZINC000251692193 362899792 /nfs/dbraw/zinc/89/97/92/362899792.db2.gz NFPSXAHAUDDYIM-DJLDLDEBSA-N 1 0 232.418 1.734 10 0 BDAERO C[C@H]1C[N@H+](C[C@H]2CCCC2=O)CCCO1 ZINC000251737907 362902071 /nfs/dbraw/zinc/90/20/71/362902071.db2.gz KQYNMLJHCCFDBY-WDEREUQCSA-N 1 0 211.305 1.466 10 0 BDAERO CC[C@@H]1CC[C@@H]2[NH2+]CC[S@@](=O)[C@H]2C1 ZINC000251766339 362909158 /nfs/dbraw/zinc/90/91/58/362909158.db2.gz VPZVLYLXGBNEMS-KEPMVKOISA-N 1 0 201.335 1.286 10 0 BDAERO C[C@H]1CCC[N@@H+]1[C@@]1(CN)CCSC1 ZINC000216244834 349988667 /nfs/dbraw/zinc/98/86/67/349988667.db2.gz ZTBWPZHMBGLQJR-VHSXEESVSA-N 1 0 200.351 1.305 10 0 BDAERO CCOC(=O)c1cccnc1N[C@@H](C)C[NH2+]C ZINC000596030723 348426096 /nfs/dbraw/zinc/42/60/96/348426096.db2.gz MNEBROKUJVSOKO-VIFPVBQESA-N 1 0 237.303 1.278 10 0 BDAERO Cc1ccoc1-c1nc(C(C)(C)[NH3+])no1 ZINC000041052813 179501785 /nfs/dbraw/zinc/50/17/85/179501785.db2.gz WLTGZIUTZVSHKH-UHFFFAOYSA-N 1 0 207.233 1.832 10 0 BDAERO Cc1ccsc1[C@@H]([NH2+]C(C)C)C(N)=O ZINC000041673494 179553930 /nfs/dbraw/zinc/55/39/30/179553930.db2.gz DTGGEMKIUXSBJT-MRVPVSSYSA-N 1 0 212.318 1.581 10 0 BDAERO COC(=O)C(C)(C)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000597039887 348648124 /nfs/dbraw/zinc/64/81/24/348648124.db2.gz ZKYZYNLRXNPYHD-WDEREUQCSA-N 1 0 241.331 1.343 10 0 BDAERO COC(=O)[C@]1(Cl)OC12CCC([NH+](C)C)CC2 ZINC000669383639 538010442 /nfs/dbraw/zinc/01/04/42/538010442.db2.gz UFHWEGMIEWWJHL-RFBVYIQQSA-N 1 0 247.722 1.368 10 0 BDAERO CC(C)C(=O)N1CC[C@H]2[C@@H](CCC[C@@H]2[NH3+])C1 ZINC000669383369 538010539 /nfs/dbraw/zinc/01/05/39/538010539.db2.gz UIHBJSBVTDDONL-SRVKXCTJSA-N 1 0 224.348 1.618 10 0 BDAERO COc1cc2c(cc1OC)[C@@]1(C[C@H]1[NH3+])CN2 ZINC000725247134 538011188 /nfs/dbraw/zinc/01/11/88/538011188.db2.gz INFBBXKMQRNMIE-VXGBXAGGSA-N 1 0 220.272 1.098 10 0 BDAERO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](O)C2)C[C@H](C)O1 ZINC000381474909 490191690 /nfs/dbraw/zinc/19/16/90/490191690.db2.gz NRDVDMUUPWLLJM-XQHKEYJVSA-N 1 0 227.348 1.647 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000200966049 350001165 /nfs/dbraw/zinc/00/11/65/350001165.db2.gz FKLZEEJLXNGKQP-KCJUWKMLSA-N 1 0 206.245 1.918 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC3)CC[C@@H]12 ZINC000669383848 538013701 /nfs/dbraw/zinc/01/37/01/538013701.db2.gz ZCUFYCHLXJLSLK-IJLUTSLNSA-N 1 0 222.332 1.372 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000200966116 350000888 /nfs/dbraw/zinc/00/08/88/350000888.db2.gz FKLZEEJLXNGKQP-LDYMZIIASA-N 1 0 206.245 1.918 10 0 BDAERO CCCc1nc([C@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000669383867 538012656 /nfs/dbraw/zinc/01/26/56/538012656.db2.gz ZMQYMNBRQQDZLC-MRVPVSSYSA-N 1 0 207.277 1.559 10 0 BDAERO [NH3+][C@@H]1C[C@@]12CNc1cc(F)c(Cl)cc12 ZINC000725247614 538014336 /nfs/dbraw/zinc/01/43/36/538014336.db2.gz SAJACYZOZTUHLG-ZJUUUORDSA-N 1 0 212.655 1.873 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000054072482 348888654 /nfs/dbraw/zinc/88/86/54/348888654.db2.gz CNQATZRYIQGPHH-ZWNOBZJWSA-N 1 0 232.327 1.740 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000054072486 348888728 /nfs/dbraw/zinc/88/87/28/348888728.db2.gz CNQATZRYIQGPHH-MFKMUULPSA-N 1 0 232.327 1.740 10 0 BDAERO CC(C)CCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308319 348974686 /nfs/dbraw/zinc/97/46/86/348974686.db2.gz KQPZNPZGAKZMRX-GFCCVEGCSA-N 1 0 226.364 1.929 10 0 BDAERO CC(C)CC(=O)N(C)CC[NH2+]C(C)C ZINC000669378582 538018853 /nfs/dbraw/zinc/01/88/53/538018853.db2.gz HXLYIAUJVULXIL-UHFFFAOYSA-N 1 0 200.326 1.489 10 0 BDAERO CN(Cc1cccnc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306121 348979123 /nfs/dbraw/zinc/97/91/23/348979123.db2.gz QFZOLKPGHKJGFC-LBPRGKRZSA-N 1 0 247.342 1.430 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1cccnc1 ZINC000054305820 348979166 /nfs/dbraw/zinc/97/91/66/348979166.db2.gz PXWVRDLWCOOZKC-LLVKDONJSA-N 1 0 233.315 1.088 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCc1ccccn1 ZINC000399292699 323203068 /nfs/dbraw/zinc/20/30/68/323203068.db2.gz SSABOTLRUUJZPF-WCQYABFASA-N 1 0 220.316 1.469 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000223153546 179741077 /nfs/dbraw/zinc/74/10/77/179741077.db2.gz XEPSOBWIDVWUPA-NEPJUHHUSA-N 1 0 223.320 1.349 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000055421216 349093678 /nfs/dbraw/zinc/09/36/78/349093678.db2.gz XEBYORKFUSFDTH-MRVPVSSYSA-N 1 0 235.287 1.191 10 0 BDAERO CCN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246329104 349103259 /nfs/dbraw/zinc/10/32/59/349103259.db2.gz GCGPKPQLRSAJRU-GHMZBOCLSA-N 1 0 227.352 1.376 10 0 BDAERO CC[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC000616571685 349059604 /nfs/dbraw/zinc/05/96/04/349059604.db2.gz QYNLSEYJQPWMMS-KGLIPLIRSA-N 1 0 246.354 1.815 10 0 BDAERO [NH3+][C@]12CC[C@@H]1CN(C(=O)Cc1ccccc1)C2 ZINC000616571986 349064211 /nfs/dbraw/zinc/06/42/11/349064211.db2.gz JHZRVAWKGLIUTH-OCCSQVGLSA-N 1 0 230.311 1.179 10 0 BDAERO CC[C@@H]1CCN(C(=O)C2CCC2)C[C@@H]1[NH3+] ZINC000616572952 349064405 /nfs/dbraw/zinc/06/44/05/349064405.db2.gz XTXGKCLEYVGZPB-KOLCDFICSA-N 1 0 210.321 1.372 10 0 BDAERO CC1(C)C[C@H]([NH3+])c2ccccc2S1(=O)=O ZINC000616578496 349124344 /nfs/dbraw/zinc/12/43/44/349124344.db2.gz OMOMPXHVQLMQQT-VIFPVBQESA-N 1 0 225.313 1.642 10 0 BDAERO COC(=O)CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000599252876 349131674 /nfs/dbraw/zinc/13/16/74/349131674.db2.gz WHDAXGOMSWWAFB-GHMZBOCLSA-N 1 0 229.320 1.439 10 0 BDAERO CC(C)c1nsc(N2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000251852867 349192132 /nfs/dbraw/zinc/19/21/32/349192132.db2.gz RPVOFUHLGFUSIL-RKDXNWHRSA-N 1 0 240.376 1.835 10 0 BDAERO CO[C@]1(COc2ccccc2C)CC[NH2+]C1 ZINC000616579509 349158336 /nfs/dbraw/zinc/15/83/36/349158336.db2.gz RHEKUEUOXNWTEL-CYBMUJFWSA-N 1 0 221.300 1.752 10 0 BDAERO COC(=O)CCCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000599360629 349159344 /nfs/dbraw/zinc/15/93/44/349159344.db2.gz ZUDUDKMTCLNBGT-QWRGUYRKSA-N 1 0 229.320 1.487 10 0 BDAERO COC(=O)CCCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000599360627 349159415 /nfs/dbraw/zinc/15/94/15/349159415.db2.gz ZUDUDKMTCLNBGT-GHMZBOCLSA-N 1 0 229.320 1.487 10 0 BDAERO CC(C)(C)[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000616579455 349162656 /nfs/dbraw/zinc/16/26/56/349162656.db2.gz UDFYENLKFDNLER-GHMZBOCLSA-N 1 0 228.405 1.954 10 0 BDAERO CN(CCC[NH3+])c1cncc(Br)c1 ZINC000300729844 349292532 /nfs/dbraw/zinc/29/25/32/349292532.db2.gz DBKBCFTWNQFJLX-UHFFFAOYSA-N 1 0 244.136 1.629 10 0 BDAERO COc1cccc2c1C[C@@H]1CC[NH2+][C@@H]1C2 ZINC000060214619 349279975 /nfs/dbraw/zinc/27/99/75/349279975.db2.gz OBGADVDRELNMHY-CMPLNLGQSA-N 1 0 203.285 1.772 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccnn1C1CCCC1 ZINC000725253590 538037301 /nfs/dbraw/zinc/03/73/01/538037301.db2.gz SPASRIQRBAUWPD-LBPRGKRZSA-N 1 0 223.320 1.641 10 0 BDAERO c1cc(NC[C@@H]2CC[NH2+]C2)nc(C2CC2)n1 ZINC000212228767 349310076 /nfs/dbraw/zinc/31/00/76/349310076.db2.gz ZXLFDCUDCUGXQS-SECBINFHSA-N 1 0 218.304 1.375 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160723558 349313627 /nfs/dbraw/zinc/31/36/27/349313627.db2.gz DBFVJXTXONINMO-ZIAGYGMSSA-N 1 0 240.391 1.611 10 0 BDAERO Cc1nc(C2CC2)nc(C)c1CCC[NH3+] ZINC000054836406 179926191 /nfs/dbraw/zinc/92/61/91/179926191.db2.gz IZGXAFYQXZLFGF-UHFFFAOYSA-N 1 0 205.305 1.862 10 0 BDAERO Cc1nc(C)c([C@@H](C)NC(=O)C[C@H](C)[NH3+])s1 ZINC000040519106 179919354 /nfs/dbraw/zinc/91/93/54/179919354.db2.gz OGRVGSWBULJDBZ-POYBYMJQSA-N 1 0 241.360 1.674 10 0 BDAERO C[C@@]1([C@@H](O)C2(C[NH3+])CC2)CCCS1 ZINC000307411093 538046436 /nfs/dbraw/zinc/04/64/36/538046436.db2.gz PIWOIVVZVSXZDF-BDAKNGLRSA-N 1 0 201.335 1.372 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cn(C)nc1C(C)C ZINC000300893379 349418174 /nfs/dbraw/zinc/41/81/74/349418174.db2.gz GTYCZKYQUDUBDV-MRVPVSSYSA-N 1 0 224.308 1.090 10 0 BDAERO C[C@H]1CC[N@@H+](C2CCC(=O)CC2)C[C@H]1O ZINC000299915007 350041647 /nfs/dbraw/zinc/04/16/47/350041647.db2.gz QVLJDKGYFDVWHN-JOYOIKCWSA-N 1 0 211.305 1.201 10 0 BDAERO COc1ccc(C[C@H]2COCC[C@H]2[NH3+])cc1 ZINC000076671704 191006305 /nfs/dbraw/zinc/00/63/05/191006305.db2.gz SRANFMFLCIPSBR-WCQYABFASA-N 1 0 221.300 1.602 10 0 BDAERO CC[C@H]([NH3+])[C@@H](C)N1CCCO[C@@H](C)C1 ZINC000217535542 350060271 /nfs/dbraw/zinc/06/02/71/350060271.db2.gz LUSHDEIRGGAERP-AXFHLTTASA-N 1 0 200.326 1.223 10 0 BDAERO OCC[N@@H+]1CC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616613763 350066707 /nfs/dbraw/zinc/06/67/07/350066707.db2.gz PSGCZBCWQGCFQE-ZDUSSCGKSA-N 1 0 243.310 1.411 10 0 BDAERO CCCN(c1ncnc2c1CCC2)[C@@H]1CC[NH2+]C1 ZINC000071332596 350101308 /nfs/dbraw/zinc/10/13/08/350101308.db2.gz ZJRYZEVTLWZHIL-LLVKDONJSA-N 1 0 246.358 1.544 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000392856538 350108317 /nfs/dbraw/zinc/10/83/17/350108317.db2.gz RYDVVAGTPOATHC-PSASIEDQSA-N 1 0 208.261 1.054 10 0 BDAERO Cc1nn(C)cc1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000131754396 191017038 /nfs/dbraw/zinc/01/70/38/191017038.db2.gz VLSMDPCEKITPAR-UHFFFAOYSA-N 1 0 244.298 1.440 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[NH2+]CC2(C)C)O1 ZINC000302512929 350089508 /nfs/dbraw/zinc/08/95/08/350089508.db2.gz ZFYRETUKUMMEDH-MXWKQRLJSA-N 1 0 240.347 1.058 10 0 BDAERO CCCCNC(=O)NC[C@@H]([NH3+])C1CCCC1 ZINC000725255264 538050706 /nfs/dbraw/zinc/05/07/06/538050706.db2.gz XTPLRCYODNXYLN-LLVKDONJSA-N 1 0 227.352 1.603 10 0 BDAERO Cc1nc2c(c(NCCCC[NH3+])n1)CCC2 ZINC000057328883 180071079 /nfs/dbraw/zinc/07/10/79/180071079.db2.gz JVDXRSWPOUJNBI-UHFFFAOYSA-N 1 0 220.320 1.425 10 0 BDAERO O=C(NC[C@@H]1CCC[NH2+]C1)C1[C@@H]2CCCC[C@H]12 ZINC000132565422 191034720 /nfs/dbraw/zinc/03/47/20/191034720.db2.gz RJPJRXWKVSUYAJ-FKJOKYEKSA-N 1 0 236.359 1.538 10 0 BDAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1C[C@@H]1C ZINC000336748265 180111470 /nfs/dbraw/zinc/11/14/70/180111470.db2.gz SOWLERAHLDEPJQ-LSJOCFKGSA-N 1 0 220.320 1.667 10 0 BDAERO CC(C)[C@@H](C)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257270 538065731 /nfs/dbraw/zinc/06/57/31/538065731.db2.gz JKDFPFIUPJKVPK-SECBINFHSA-N 1 0 248.334 1.354 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCO[C@H]2C)cn1 ZINC000336767702 180157709 /nfs/dbraw/zinc/15/77/09/180157709.db2.gz TXEHMMHMKVOBPT-KWQFWETISA-N 1 0 207.277 1.052 10 0 BDAERO Cc1ncc(COC[C@H]2CC[NH2+]C2)s1 ZINC000062336974 180159448 /nfs/dbraw/zinc/15/94/48/180159448.db2.gz AWRGFQJECLEJOX-VIFPVBQESA-N 1 0 212.318 1.578 10 0 BDAERO CC[C@@H](C(N)=S)[N@@H+]1CCS[C@@H](C)C1 ZINC000220958509 350191421 /nfs/dbraw/zinc/19/14/21/350191421.db2.gz QEXLMBWVUGMCNY-YUMQZZPRSA-N 1 0 218.391 1.488 10 0 BDAERO Cc1nccc(C[NH2+][C@H](C)[C@@H]2CCCO2)n1 ZINC000054790188 180191251 /nfs/dbraw/zinc/19/12/51/180191251.db2.gz FOIFTRZWMGSNEZ-SKDRFNHKSA-N 1 0 221.304 1.442 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)n1 ZINC000038037714 180191734 /nfs/dbraw/zinc/19/17/34/180191734.db2.gz DCCJWJPRCGOZAI-WCFLWFBJSA-N 1 0 215.300 1.839 10 0 BDAERO Cc1nccc(C[NH2+][C@H](C)[C@H]2CCCO2)n1 ZINC000054790190 180191981 /nfs/dbraw/zinc/19/19/81/180191981.db2.gz FOIFTRZWMGSNEZ-BXKDBHETSA-N 1 0 221.304 1.442 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CS1 ZINC000392934302 350206971 /nfs/dbraw/zinc/20/69/71/350206971.db2.gz LRWRKEKEXALQKY-KATARQTJSA-N 1 0 228.361 1.137 10 0 BDAERO Cc1nccc(N[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000054936775 180202804 /nfs/dbraw/zinc/20/28/04/180202804.db2.gz HWXJZVMQDNLOOJ-VHSXEESVSA-N 1 0 206.293 1.467 10 0 BDAERO Cc1nccc(OC2CCC([NH3+])CC2)n1 ZINC000055143368 180207017 /nfs/dbraw/zinc/20/70/17/180207017.db2.gz SZXKFHYSOCTBQG-UHFFFAOYSA-N 1 0 207.277 1.434 10 0 BDAERO Cc1nccc(OCC[C@H]2CCCC[NH2+]2)n1 ZINC000054937465 180207910 /nfs/dbraw/zinc/20/79/10/180207910.db2.gz QFMJLYOLNHTIKO-LLVKDONJSA-N 1 0 221.304 1.696 10 0 BDAERO Cc1nccc(CNC2=[NH+]C[C@H](C)S2)n1 ZINC000045005722 180187232 /nfs/dbraw/zinc/18/72/32/180187232.db2.gz YFQUXJZCKKSDJC-ZETCQYMHSA-N 1 0 222.317 1.366 10 0 BDAERO Cc1nccc(C[NH2+]CC2(O)CCCCCC2)n1 ZINC000037998752 180189342 /nfs/dbraw/zinc/18/93/42/180189342.db2.gz PYKSJXKDLRWELU-UHFFFAOYSA-N 1 0 249.358 1.960 10 0 BDAERO Cc1nccc(C[NH2+]CCCn2cccn2)n1 ZINC000126315566 180189505 /nfs/dbraw/zinc/18/95/05/180189505.db2.gz VEBFFFHANQXBLJ-UHFFFAOYSA-N 1 0 231.303 1.161 10 0 BDAERO Cc1nccc(CNC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000062079017 180189838 /nfs/dbraw/zinc/18/98/38/180189838.db2.gz SDBLDAYAUQMJON-GFCCVEGCSA-N 1 0 248.374 1.607 10 0 BDAERO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(C)C)C1 ZINC000319758740 350226396 /nfs/dbraw/zinc/22/63/96/350226396.db2.gz ZYSOKQSUNKMEFL-MNOVXSKESA-N 1 0 213.321 1.916 10 0 BDAERO C[N@H+](C[C@H]1CC[NH+](C)C1)CC1(O)CCCC1 ZINC000083588079 350249401 /nfs/dbraw/zinc/24/94/01/350249401.db2.gz OKNXQFRJKDAMSC-LBPRGKRZSA-N 1 0 226.364 1.175 10 0 BDAERO O=S(=O)(c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000034103780 350255174 /nfs/dbraw/zinc/25/51/74/350255174.db2.gz RRRYQNOUKRYWFA-LLVKDONJSA-N 1 0 225.313 1.212 10 0 BDAERO C[C@H]1C[C@H](n2cc(C[NH3+])nn2)C[C@@H](C)C1 ZINC000252213308 538085360 /nfs/dbraw/zinc/08/53/60/538085360.db2.gz YPXHEFVFVUXGKZ-JZYVYDRUSA-N 1 0 208.309 1.734 10 0 BDAERO COC1(OC)CC[C@@H](C)C[C@@H]1CC[NH3+] ZINC000725261736 538086616 /nfs/dbraw/zinc/08/66/16/538086616.db2.gz DWCGWKURMCPAFE-ZJUUUORDSA-N 1 0 201.310 1.761 10 0 BDAERO Cc1nccn1C[C@@H]([NH3+])c1ccccc1 ZINC000038827578 180265339 /nfs/dbraw/zinc/26/53/39/180265339.db2.gz GGLKIQQHALXVBY-GFCCVEGCSA-N 1 0 201.273 1.892 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CCC[NH2+]C[C@H]1F ZINC000725262167 538087759 /nfs/dbraw/zinc/08/77/59/538087759.db2.gz ZXTBMZBJOXFOMB-BDAKNGLRSA-N 1 0 232.299 1.601 10 0 BDAERO COC(=O)CCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083663510 350277847 /nfs/dbraw/zinc/27/78/47/350277847.db2.gz WAODKSIXVZYYKY-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO Cc1nccn1[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354890 180271269 /nfs/dbraw/zinc/27/12/69/180271269.db2.gz NAOAGDGGCWLYKS-SKDRFNHKSA-N 1 0 216.288 1.523 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CS1 ZINC000324403868 350296435 /nfs/dbraw/zinc/29/64/35/350296435.db2.gz IEMVNYVNOJGMCA-BBBLOLIVSA-N 1 0 217.378 1.877 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@]12CC[C@@H]1CC[NH2+]2 ZINC000725263223 538089774 /nfs/dbraw/zinc/08/97/74/538089774.db2.gz XQEYHHSMSPRKBV-DMDPSCGWSA-N 1 0 239.363 1.472 10 0 BDAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000309344740 350326933 /nfs/dbraw/zinc/32/69/33/350326933.db2.gz WFAIMIFAPNDYTP-QWRGUYRKSA-N 1 0 229.364 1.941 10 0 BDAERO Cc1ncnc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000045954935 180290734 /nfs/dbraw/zinc/29/07/34/180290734.db2.gz HXJIWEVNNUXMTK-NSHDSACASA-N 1 0 220.320 1.505 10 0 BDAERO Cc1nccnc1OCCC[C@H]1CCC[NH2+]C1 ZINC000095069473 180279737 /nfs/dbraw/zinc/27/97/37/180279737.db2.gz CBEMENBJMJNOHO-GFCCVEGCSA-N 1 0 235.331 1.944 10 0 BDAERO Cc1nccnc1SCC1CC[NH2+]CC1 ZINC000095068820 180279831 /nfs/dbraw/zinc/27/98/31/180279831.db2.gz UEPNXJTUOFTIFA-UHFFFAOYSA-N 1 0 223.345 1.877 10 0 BDAERO Cc1nccnc1OCC[C@@H]1CCC[NH2+]C1 ZINC000095069467 180280285 /nfs/dbraw/zinc/28/02/85/180280285.db2.gz DLQCOZDNUXNURF-NSHDSACASA-N 1 0 221.304 1.554 10 0 BDAERO Cc1nccnc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282110858 180284004 /nfs/dbraw/zinc/28/40/04/180284004.db2.gz ADSMGNIBTQJJOB-MIMYLULJSA-N 1 0 248.330 1.103 10 0 BDAERO Cc1ncn(C[C@@H]2CC[C@H](C[NH3+])O2)c1C ZINC000052593597 180287291 /nfs/dbraw/zinc/28/72/91/180287291.db2.gz DKFNGJUDDIIQOP-MNOVXSKESA-N 1 0 209.293 1.006 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@@H](C)C1 ZINC000225159258 350352915 /nfs/dbraw/zinc/35/29/15/350352915.db2.gz FURRTVJIVZPEGY-RKDXNWHRSA-N 1 0 200.351 1.783 10 0 BDAERO Cc1ncsc1-c1nnc(C[NH2+]C(C)C)o1 ZINC000050615946 180302158 /nfs/dbraw/zinc/30/21/58/180302158.db2.gz ZXFNLRFJDSRJNP-UHFFFAOYSA-N 1 0 238.316 2.000 10 0 BDAERO Cc1ncsc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000054158627 180302485 /nfs/dbraw/zinc/30/24/85/180302485.db2.gz KYQGNBAHNQSAIL-YFKPBYRVSA-N 1 0 224.289 1.564 10 0 BDAERO Cc1ncsc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170865946 180303546 /nfs/dbraw/zinc/30/35/46/180303546.db2.gz OVPWRIQHDDIFSU-VIFPVBQESA-N 1 0 239.344 1.228 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000389129664 350370972 /nfs/dbraw/zinc/37/09/72/350370972.db2.gz DXFCCQCQXMHYNL-WRWGMCAJSA-N 1 0 222.332 1.243 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+]C[C@H](C)O ZINC000037258085 180326276 /nfs/dbraw/zinc/32/62/76/180326276.db2.gz OHHZJSREZBKMLK-BQBZGAKWSA-N 1 0 200.307 1.483 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+]CC(=O)N(C)C ZINC000037254429 180326577 /nfs/dbraw/zinc/32/65/77/180326577.db2.gz ZVEUQLMHXDHJFU-SSDOTTSWSA-N 1 0 227.333 1.190 10 0 BDAERO CCCCNC(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264423 538091478 /nfs/dbraw/zinc/09/14/78/538091478.db2.gz MHWBKKQYNSDKEV-YPMHNXCESA-N 1 0 239.363 1.760 10 0 BDAERO CC1(C(=O)N[C@H]2CCCC23CC[NH2+]CC3)CC1 ZINC000725263957 538090979 /nfs/dbraw/zinc/09/09/79/538090979.db2.gz DEQARTWUYXRCLU-NSHDSACASA-N 1 0 236.359 1.825 10 0 BDAERO CCc1cc(N[C@H]2CCC[N@@H+](CC)C2)ncn1 ZINC000040765235 350395036 /nfs/dbraw/zinc/39/50/36/350395036.db2.gz JSCTYJRQJIBYKJ-LBPRGKRZSA-N 1 0 234.347 1.935 10 0 BDAERO Cc1nn(C)c(C)c1[C@@H](C[NH3+])C(F)(F)F ZINC000082719065 180347925 /nfs/dbraw/zinc/34/79/25/180347925.db2.gz WIYHXLNBXUMGFM-SSDOTTSWSA-N 1 0 221.226 1.642 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCO[C@H]1C ZINC000162719729 180352034 /nfs/dbraw/zinc/35/20/34/180352034.db2.gz BMRCTXUDCLTFOY-WCBMZHEXSA-N 1 0 243.738 1.649 10 0 BDAERO Cc1nn(C)c(N(C)[C@H](C)C(C)C)c1CC[NH3+] ZINC000104274120 180353789 /nfs/dbraw/zinc/35/37/89/180353789.db2.gz MANZIJPGFDEJFR-LLVKDONJSA-N 1 0 238.379 1.710 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000226271208 350412368 /nfs/dbraw/zinc/41/23/68/350412368.db2.gz AHBKIEVDIZDHBV-OPRDCNLKSA-N 1 0 201.335 1.385 10 0 BDAERO C[C@@H]1CSCC[N@@H+]1[C@H]1CCC[C@@H]1O ZINC000226287029 350414982 /nfs/dbraw/zinc/41/49/82/350414982.db2.gz XXFBAMDVFJTYJJ-UTLUCORTSA-N 1 0 201.335 1.337 10 0 BDAERO CC(=O)CC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248342683 191104857 /nfs/dbraw/zinc/10/48/57/191104857.db2.gz JRLTWRSBDQMUCQ-LBPRGKRZSA-N 1 0 210.321 1.136 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCCC[C@H]1C ZINC000069945040 350455898 /nfs/dbraw/zinc/45/58/98/350455898.db2.gz ZZQUECDHZVAETK-MNOVXSKESA-N 1 0 212.337 1.905 10 0 BDAERO CC(C)(C)c1cc(N)n(C2CC[NH2+]CC2)n1 ZINC000409440432 350482097 /nfs/dbraw/zinc/48/20/97/350482097.db2.gz TXIUFDJSAVEESM-UHFFFAOYSA-N 1 0 222.336 1.687 10 0 BDAERO CCn1nc([C@H]2CCCC[NH2+]2)cc1CO ZINC000409443928 350483590 /nfs/dbraw/zinc/48/35/90/350483590.db2.gz WUCXMDNPJMETRP-SNVBAGLBSA-N 1 0 209.293 1.210 10 0 BDAERO Cc1nn([C@@H]2CCCC[C@H]2O)c(C)c1C[NH3+] ZINC000054599971 180392316 /nfs/dbraw/zinc/39/23/16/180392316.db2.gz JRECXXOAARRFHY-VXGBXAGGSA-N 1 0 223.320 1.435 10 0 BDAERO c1nnn([C@@H]2CC[NH2+]C2)c1-c1cc(C2CC2)no1 ZINC000725266067 538094372 /nfs/dbraw/zinc/09/43/72/538094372.db2.gz JBQRQPKTSWAHLW-SECBINFHSA-N 1 0 245.286 1.345 10 0 BDAERO Cc1nnc(-n2nc(C)c([C@@H](C)[NH3+])c2C)s1 ZINC000072415776 180396766 /nfs/dbraw/zinc/39/67/66/180396766.db2.gz RFBKDEHJAJWHQR-RXMQYKEDSA-N 1 0 237.332 1.669 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)C(C)C)C1 ZINC000252630369 538095502 /nfs/dbraw/zinc/09/55/02/538095502.db2.gz ABKOXYYDZVWPGY-VXGBXAGGSA-N 1 0 214.353 1.341 10 0 BDAERO COc1ccc([C@@H]([NH3+])[C@H](C)O)cc1OC ZINC000041225482 350588345 /nfs/dbraw/zinc/58/83/45/350588345.db2.gz WDBHJUBJCOLXGR-CPCISQLKSA-N 1 0 211.261 1.084 10 0 BDAERO CCn1c(C)nnc1CN1CCSC[C@@H]1C ZINC000172591951 350595484 /nfs/dbraw/zinc/59/54/84/350595484.db2.gz UQANJZORRHRVDD-VIFPVBQESA-N 1 0 240.376 1.544 10 0 BDAERO CCCC[NH2+]CC[C@H](CO)[C@@H]1COC(C)(C)O1 ZINC000725266896 538097445 /nfs/dbraw/zinc/09/74/45/538097445.db2.gz LUJWPEHZCBAHAX-NEPJUHHUSA-N 1 0 245.363 1.526 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@H]1COC(C)(C)O1 ZINC000725266875 538097794 /nfs/dbraw/zinc/09/77/94/538097794.db2.gz KYQRZQUNARWBGI-QJPTWQEYSA-N 1 0 245.363 1.525 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2c[nH]cn2)CC1 ZINC000616596482 350634448 /nfs/dbraw/zinc/63/44/48/350634448.db2.gz WQDVMPPHFFFQJM-LLVKDONJSA-N 1 0 223.320 1.972 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccncn1 ZINC000616598268 350659234 /nfs/dbraw/zinc/65/92/34/350659234.db2.gz JHGXFQAPOFSAJY-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1cccc(CO)c1 ZINC000616598422 350669781 /nfs/dbraw/zinc/66/97/81/350669781.db2.gz ACJATDYIQAAONT-CYBMUJFWSA-N 1 0 221.300 1.572 10 0 BDAERO COC[C@H]([NH3+])c1ccoc1Br ZINC000234754948 350703362 /nfs/dbraw/zinc/70/33/62/350703362.db2.gz JXNXFLUYYIMANX-LURJTMIESA-N 1 0 220.066 1.688 10 0 BDAERO Nc1ccccc1[C@@H]1CCOCC[N@@H+]1CCO ZINC000616598588 350675598 /nfs/dbraw/zinc/67/55/98/350675598.db2.gz QFVIEIXJJHOXJV-ZDUSSCGKSA-N 1 0 236.315 1.025 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cccnn2)C1 ZINC000616598796 350688842 /nfs/dbraw/zinc/68/88/42/350688842.db2.gz RZBXUXKSZLCUMW-NSHDSACASA-N 1 0 235.331 1.691 10 0 BDAERO C[N@@H+]1CCOC[C@@H](c2ccccc2CO)C1 ZINC000616599485 350749699 /nfs/dbraw/zinc/74/96/99/350749699.db2.gz ZBSIRGKYTDAPOS-LBPRGKRZSA-N 1 0 221.300 1.225 10 0 BDAERO OCC[N@@H+]1CCCOC[C@@H]1c1ccc(F)cc1 ZINC000616599547 350750548 /nfs/dbraw/zinc/75/05/48/350750548.db2.gz LCHJWZWMZPKMPI-CYBMUJFWSA-N 1 0 239.290 1.581 10 0 BDAERO CC[N@@H+]1CCCOC[C@@H]1c1cccnc1 ZINC000616599650 350755406 /nfs/dbraw/zinc/75/54/06/350755406.db2.gz MWLMNQBIZGCNIX-GFCCVEGCSA-N 1 0 206.289 1.865 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cn[nH]c1 ZINC000616599135 350723977 /nfs/dbraw/zinc/72/39/77/350723977.db2.gz OVARFKLXLCJASM-LLVKDONJSA-N 1 0 209.293 1.582 10 0 BDAERO 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350827823 /nfs/dbraw/zinc/82/78/23/350827823.db2.gz JFLSFFDWMZUPCB-OAHLLOKOSA-N 1 0 249.354 1.741 10 0 BDAERO [NH3+][C@H]1CCN(C[C@@H]2CCCSC2)C1 ZINC000306730751 350900080 /nfs/dbraw/zinc/90/00/80/350900080.db2.gz PUINPPUZGHJFPV-UWVGGRQHSA-N 1 0 200.351 1.163 10 0 BDAERO CO[C@]1(C)CC[N@H+](C[C@H]2CCCC2=O)C1 ZINC000306731583 350900594 /nfs/dbraw/zinc/90/05/94/350900594.db2.gz QUKGONIBPCVHBT-ZYHUDNBSSA-N 1 0 211.305 1.466 10 0 BDAERO CC[C@@H]1CC[C@@H]2[NH2+]CCC[S@@](=O)[C@H]2C1 ZINC000251694804 350901090 /nfs/dbraw/zinc/90/10/90/350901090.db2.gz QDECGBCEZGGULH-YAMSLAJTSA-N 1 0 215.362 1.676 10 0 BDAERO C[C@@H]1C[C@@](O)([C@H]2CCCCC[NH2+]2)CS1 ZINC000252096237 350908737 /nfs/dbraw/zinc/90/87/37/350908737.db2.gz HVHUSHMMVIKAPF-MXWKQRLJSA-N 1 0 215.362 1.775 10 0 BDAERO C[C@@H]1C[C@@H]2[NH2+]C[C@H](C)S[C@H]2[C@@H](C)O1 ZINC000252179132 350909459 /nfs/dbraw/zinc/90/94/59/350909459.db2.gz SPHIJUAGPDQHTQ-KGDYZURWSA-N 1 0 201.335 1.646 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1[S@](=O)C(C)(C)C 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UHVRZUZWCKCJOM-LBPRGKRZSA-N 1 0 235.283 1.524 10 0 BDAERO CC(C)(C)N1CCO[C@@H](Nc2ccccn2)C1 ZINC000616644446 351163325 /nfs/dbraw/zinc/16/33/25/351163325.db2.gz CSUOIAQNXURUCQ-GFCCVEGCSA-N 1 0 235.331 1.950 10 0 BDAERO C[N@@H+]1CCOCC[C@@H]1c1ccc(CO)cc1 ZINC000616655476 351193458 /nfs/dbraw/zinc/19/34/58/351193458.db2.gz DWWKHGHXACQQBR-CYBMUJFWSA-N 1 0 221.300 1.572 10 0 BDAERO CC[N@@H+]1CCCO[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616649464 351178953 /nfs/dbraw/zinc/17/89/53/351178953.db2.gz KKVWFTRAVIIXGE-ZDUSSCGKSA-N 1 0 248.326 1.569 10 0 BDAERO FCCCN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000306858597 351180772 /nfs/dbraw/zinc/18/07/72/351180772.db2.gz CPFFOGDECRZABN-WDEREUQCSA-N 1 0 200.301 1.562 10 0 BDAERO C[N@@H+]1CCCO[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616652467 351185242 /nfs/dbraw/zinc/18/52/42/351185242.db2.gz MHNYWALNKYMGNN-GFCCVEGCSA-N 1 0 234.299 1.179 10 0 BDAERO C[N@@H+]1CCCO[C@H](c2cccc(CCO)c2)C1 ZINC000616651747 351188764 /nfs/dbraw/zinc/18/87/64/351188764.db2.gz PHZTVNJEAWBFPH-AWEZNQCLSA-N 1 0 235.327 1.615 10 0 BDAERO OCC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616651753 351188886 /nfs/dbraw/zinc/18/88/86/351188886.db2.gz FYEOQKPWRZCQBT-CQSZACIVSA-N 1 0 235.327 1.660 10 0 BDAERO C[N@@H+]1CCCO[C@@H](c2ccccc2N)C1 ZINC000616651769 351189306 /nfs/dbraw/zinc/18/93/06/351189306.db2.gz JEFPYYKOZIBIDY-GFCCVEGCSA-N 1 0 206.289 1.662 10 0 BDAERO CC[N@@H+]1CCCO[C@@H](c2ccnnc2)C1 ZINC000616652021 351190111 /nfs/dbraw/zinc/19/01/11/351190111.db2.gz CLTALBCCTLOEQH-LLVKDONJSA-N 1 0 207.277 1.260 10 0 BDAERO Cc1nc2ccc(NCC[NH3+])cc2s1 ZINC000306821022 351127234 /nfs/dbraw/zinc/12/72/34/351127234.db2.gz NRSPQPBYEDTVMP-UHFFFAOYSA-N 1 0 207.302 1.975 10 0 BDAERO CC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616652368 351190890 /nfs/dbraw/zinc/19/08/90/351190890.db2.gz WEDRIUULZRPMAH-CQSZACIVSA-N 1 0 233.311 1.867 10 0 BDAERO O[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616652364 351190941 /nfs/dbraw/zinc/19/09/41/351190941.db2.gz WANOWVRSBXGWEB-GFCCVEGCSA-N 1 0 207.273 1.227 10 0 BDAERO c1cc([C@@H]2C[NH2+]CCN2Cc2ccccc2)n[nH]1 ZINC000616636828 351129950 /nfs/dbraw/zinc/12/99/50/351129950.db2.gz ZSEGHAUBQWQKBR-AWEZNQCLSA-N 1 0 242.326 1.556 10 0 BDAERO CCOC(=O)c1cccc([C@H]2COCCN2C)c1 ZINC000616637108 351130831 /nfs/dbraw/zinc/13/08/31/351130831.db2.gz LCBWWPLAUJZBBG-CYBMUJFWSA-N 1 0 249.310 1.866 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1ccc(NC)cc1 ZINC000616637454 351132741 /nfs/dbraw/zinc/13/27/41/351132741.db2.gz MNZNALZDBQTEEP-CYBMUJFWSA-N 1 0 219.332 1.695 10 0 BDAERO CNc1ccc([C@H]2C[NH2+]CCN2C(=O)OC)cc1 ZINC000616637154 351133019 /nfs/dbraw/zinc/13/30/19/351133019.db2.gz UUNCONZEHVBDEB-GFCCVEGCSA-N 1 0 249.314 1.441 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cnoc1 ZINC000616637163 351133783 /nfs/dbraw/zinc/13/37/83/351133783.db2.gz HIEOWXTUIBCVMW-JTQLQIEISA-N 1 0 209.293 1.419 10 0 BDAERO c1nc([C@H]2C[NH2+]CCN2Cc2ccccc2)co1 ZINC000616637671 351135197 /nfs/dbraw/zinc/13/51/97/351135197.db2.gz YCRZGRPHJKWSNE-CQSZACIVSA-N 1 0 243.310 1.821 10 0 BDAERO CNc1ccc([C@@H]2C[NH2+]CCN2C(C)=O)cc1 ZINC000616637913 351136712 /nfs/dbraw/zinc/13/67/12/351136712.db2.gz ACROGMDXJVONHK-ZDUSSCGKSA-N 1 0 233.315 1.221 10 0 BDAERO c1cc2ccc([C@H]3COCC[NH2+]3)cc2nn1 ZINC000616638773 351139974 /nfs/dbraw/zinc/13/99/74/351139974.db2.gz JMDBZBSEGCQKDR-GFCCVEGCSA-N 1 0 215.256 1.291 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1cccc(CO)c1 ZINC000616638564 351140679 /nfs/dbraw/zinc/14/06/79/351140679.db2.gz YIEFLBMMQZBEAS-AWEZNQCLSA-N 1 0 234.343 1.534 10 0 BDAERO [NH3+]CCN1C[C@H](c2ncc[nH]2)Cc2ccccc21 ZINC000616673529 351237318 /nfs/dbraw/zinc/23/73/18/351237318.db2.gz VDAWYRUOOUSOSK-GFCCVEGCSA-N 1 0 242.326 1.515 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ncc[nH]1 ZINC000616681477 351249670 /nfs/dbraw/zinc/24/96/70/351249670.db2.gz YBCFXXGNHOZKEP-ZDUSSCGKSA-N 1 0 242.326 1.316 10 0 BDAERO CN1CCc2ccccc2[C@H]1c1conn1 ZINC000616679218 351250198 /nfs/dbraw/zinc/25/01/98/351250198.db2.gz MLOUXEYMZFVDIS-LBPRGKRZSA-N 1 0 215.256 1.647 10 0 BDAERO [NH3+]CCN1C[C@H](c2cn[nH]c2)Nc2ccccc21 ZINC000616682515 351252977 /nfs/dbraw/zinc/25/29/77/351252977.db2.gz CEYLKRCZDBEYLW-GFCCVEGCSA-N 1 0 243.314 1.342 10 0 BDAERO CC(C)[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616682725 351253578 /nfs/dbraw/zinc/25/35/78/351253578.db2.gz BPWLXZIQZXZSGH-ZDUSSCGKSA-N 1 0 219.332 1.902 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2cccnc2N)CC1 ZINC000616687432 351258121 /nfs/dbraw/zinc/25/81/21/351258121.db2.gz YKOQBJQFJRPOIZ-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO NC(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC000616690366 351259110 /nfs/dbraw/zinc/25/91/10/351259110.db2.gz NPUNFWNQLRRKKO-VIFPVBQESA-N 1 0 219.288 1.093 10 0 BDAERO COC(=O)N1CCCC[C@@H](c2cccnc2N)C1 ZINC000616654162 351195825 /nfs/dbraw/zinc/19/58/25/351195825.db2.gz ODMJYAHGRZEGGI-SNVBAGLBSA-N 1 0 249.314 2.000 10 0 BDAERO Clc1ccc(N2C[C@H]3C[NH2+][C@H]3C2)cn1 ZINC000028866050 180582593 /nfs/dbraw/zinc/58/25/93/180582593.db2.gz ZUQWAAYYWZDXPL-APPZFPTMSA-N 1 0 209.680 1.143 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2c[nH]nn2)C1 ZINC000616658985 351205393 /nfs/dbraw/zinc/20/53/93/351205393.db2.gz AMLQSRHEUQAMSY-VIFPVBQESA-N 1 0 224.308 1.019 10 0 BDAERO OCC[N@@H+]1CCOC[C@@H](c2cccc(F)c2)C1 ZINC000616659281 351207337 /nfs/dbraw/zinc/20/73/37/351207337.db2.gz FGXBAKCSQAOVJG-LBPRGKRZSA-N 1 0 239.290 1.234 10 0 BDAERO C[N@@H+]1CCOC[C@@H](c2cccc(N)c2)C1 ZINC000616659655 351208067 /nfs/dbraw/zinc/20/80/67/351208067.db2.gz CUROPTODRQVPNL-NSHDSACASA-N 1 0 206.289 1.314 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2ccon2)C1 ZINC000616661940 351210472 /nfs/dbraw/zinc/21/04/72/351210472.db2.gz WKQJNCTZLNLAAU-SNVBAGLBSA-N 1 0 210.277 1.499 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2c[nH]cn2)C1 ZINC000616661931 351210729 /nfs/dbraw/zinc/21/07/29/351210729.db2.gz WDRCHQDFSPQAMD-SNVBAGLBSA-N 1 0 223.320 1.624 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cn[nH]c2)C1 ZINC000616660777 351213538 /nfs/dbraw/zinc/21/35/38/351213538.db2.gz OSGNHXOAMGARNW-NSHDSACASA-N 1 0 223.320 1.624 10 0 BDAERO c1cc2cc([C@H]3CC[NH2+]CCO3)ccc2nn1 ZINC000616663582 351215868 /nfs/dbraw/zinc/21/58/68/351215868.db2.gz SUUUAMRTAHXRPF-CYBMUJFWSA-N 1 0 229.283 1.681 10 0 BDAERO CNc1ccccc1[C@@H]1C[NH2+]CCOC1 ZINC000616662574 351218307 /nfs/dbraw/zinc/21/83/07/351218307.db2.gz JEOJEHANYDDJOY-SNVBAGLBSA-N 1 0 206.289 1.432 10 0 BDAERO CC[C@@H](C)[NH2+]Cc1cnc2ccnn2c1 ZINC000379930005 351292023 /nfs/dbraw/zinc/29/20/23/351292023.db2.gz NYEKLXADFQUJSR-SECBINFHSA-N 1 0 204.277 1.617 10 0 BDAERO C[C@]1([C@@H]2CC[C@@H](C[NH3+])O2)CCCS1 ZINC000306887663 351295358 /nfs/dbraw/zinc/29/53/58/351295358.db2.gz RAHRTZYFMJGZHK-LPEHRKFASA-N 1 0 201.335 1.778 10 0 BDAERO O[C@H](CF)C[N@@H+]1CCCC12CCCC2 ZINC000306889352 351297156 /nfs/dbraw/zinc/29/71/56/351297156.db2.gz XJDRTSTUHNVXLQ-SNVBAGLBSA-N 1 0 201.285 1.725 10 0 BDAERO O=C1CC[NH2+]C[C@@H]1Cc1ccc(O)cc1 ZINC000168146689 351320008 /nfs/dbraw/zinc/32/00/08/351320008.db2.gz MIIFBNZLDSNKLI-JTQLQIEISA-N 1 0 205.257 1.113 10 0 BDAERO C[C@H](NC(N)=[NH2+])c1ccc(O)c(Cl)c1 ZINC000306873864 351268566 /nfs/dbraw/zinc/26/85/66/351268566.db2.gz YMSDXMDDZGEYRB-YFKPBYRVSA-N 1 0 213.668 1.590 10 0 BDAERO C[NH+](C)CCC(=O)Nc1nccnc1Cl ZINC000306878824 351271890 /nfs/dbraw/zinc/27/18/90/351271890.db2.gz IUOZWXVSLJZVDE-UHFFFAOYSA-N 1 0 228.683 1.020 10 0 BDAERO CC[C@H]1C[NH+]=C(NCc2ncon2)S1 ZINC000231842752 351405339 /nfs/dbraw/zinc/40/53/39/351405339.db2.gz MEBPRWXKDCNNNN-LURJTMIESA-N 1 0 212.278 1.041 10 0 BDAERO NC1=[NH+][C@H](c2ccc(Cl)o2)COC1 ZINC000306951681 351379807 /nfs/dbraw/zinc/37/98/07/351379807.db2.gz LRZXXXRZOMMPJO-YFKPBYRVSA-N 1 0 200.625 1.362 10 0 BDAERO C[C@H]1CCN(C2CSC2)[C@@H](C[NH3+])C1 ZINC000306971678 351393559 /nfs/dbraw/zinc/39/35/59/351393559.db2.gz SUTXYLLYAGZQDR-DTWKUNHWSA-N 1 0 200.351 1.161 10 0 BDAERO O[C@]1(c2ccsc2Cl)CCC[NH2+]C1 ZINC000306975809 351396271 /nfs/dbraw/zinc/39/62/71/351396271.db2.gz ABPLUEWNZSUMPH-SECBINFHSA-N 1 0 217.721 1.973 10 0 BDAERO CN(Cc1ccccc1)[C@]1(C)CC[NH2+]C1 ZINC000306979379 351397439 /nfs/dbraw/zinc/39/74/39/351397439.db2.gz DRFLATJPMJDMNN-CYBMUJFWSA-N 1 0 204.317 1.870 10 0 BDAERO C[C@@H](C[NH3+])C(=O)Nc1ccsc1Cl ZINC000306981265 351401029 /nfs/dbraw/zinc/40/10/29/351401029.db2.gz QBOZWZJMQCJJBL-YFKPBYRVSA-N 1 0 218.709 1.935 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCCO1)C(=O)NC1CCCC1 ZINC000034936741 351350441 /nfs/dbraw/zinc/35/04/41/351350441.db2.gz MXLAPAHBANQWAE-JQWIXIFHSA-N 1 0 240.347 1.202 10 0 BDAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000034938650 351353166 /nfs/dbraw/zinc/35/31/66/351353166.db2.gz QCXCBHOUZFKIBM-SRVKXCTJSA-N 1 0 242.363 1.448 10 0 BDAERO CCN(CC)C(=O)[C@H](C)[NH2+]CCC(C)C ZINC000034938716 351353320 /nfs/dbraw/zinc/35/33/20/351353320.db2.gz MIZMTLXZXPCVHX-NSHDSACASA-N 1 0 214.353 1.879 10 0 BDAERO C[C@@H]1C[C@]2([NH2+]C(C)(C)CS2)[C@@H](C)O1 ZINC000306934321 351358762 /nfs/dbraw/zinc/35/87/62/351358762.db2.gz GHYFTDPBVRVYDJ-NQMVMOMDSA-N 1 0 201.335 1.995 10 0 BDAERO C[NH+](C)[C@@H]1CCCN(C2=NC(=O)CS2)C1 ZINC000306935658 351359869 /nfs/dbraw/zinc/35/98/69/351359869.db2.gz HKABONHJBMKABY-MRVPVSSYSA-N 1 0 227.333 1.379 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](N2CCC=C(Br)C2)C1 ZINC000404407172 351426440 /nfs/dbraw/zinc/42/64/40/351426440.db2.gz XQWOBPKTXZIMKY-NXEZZACHSA-N 1 0 245.164 1.851 10 0 BDAERO Cc1cscc1NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000307022245 351426475 /nfs/dbraw/zinc/42/64/75/351426475.db2.gz URAVDUYDYGVMFA-SFYZADRCSA-N 1 0 212.318 1.978 10 0 BDAERO C[C@@H](C(=[NH2+])NO)N1CCC=C(Br)C1 ZINC000404411592 351431961 /nfs/dbraw/zinc/43/19/61/351431961.db2.gz PATBQCBFUYKRSA-LURJTMIESA-N 1 0 248.124 1.315 10 0 BDAERO Nc1cc[nH+]cc1NC1CCSCC1 ZINC000307042430 351444677 /nfs/dbraw/zinc/44/46/77/351444677.db2.gz LVZRBGCLXKDJOF-UHFFFAOYSA-N 1 0 209.318 1.971 10 0 BDAERO C[C@@H]1C[NH+]=C(NCc2ccno2)SC1 ZINC000231906309 351455235 /nfs/dbraw/zinc/45/52/35/351455235.db2.gz ANJODUIDOLAAIC-SSDOTTSWSA-N 1 0 211.290 1.503 10 0 BDAERO CC(C)[C@@H]1[C@H](C)[NH2+]C(C)(C)C[S@]1=O ZINC000307056949 351455917 /nfs/dbraw/zinc/45/59/17/351455917.db2.gz DWZUVTVZBNDIRF-IGJMFERPSA-N 1 0 203.351 1.530 10 0 BDAERO C[C@@H]1C[C@](O)([C@H]2CCCCC[NH2+]2)CS1 ZINC000252096236 363031121 /nfs/dbraw/zinc/03/11/21/363031121.db2.gz HVHUSHMMVIKAPF-GMTAPVOTSA-N 1 0 215.362 1.775 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1N1CCSCC1 ZINC000307009515 351416328 /nfs/dbraw/zinc/41/63/28/351416328.db2.gz INBUYJAGTQWDOS-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO [NH3+][C@@H](c1cscn1)[C@@H]1CSCCS1 ZINC000307074513 351464706 /nfs/dbraw/zinc/46/47/06/351464706.db2.gz MYFPQYSWGARSGX-YUMQZZPRSA-N 1 0 232.399 1.992 10 0 BDAERO OC1(Cc2cccc(Cl)c2Cl)C[NH2+]C1 ZINC000228839112 351420081 /nfs/dbraw/zinc/42/00/81/351420081.db2.gz HDKQAJUAWSUGOJ-UHFFFAOYSA-N 1 0 232.110 1.870 10 0 BDAERO C[C@]1([C@@H](O)[C@@H]2CCC[NH2+]2)CCCS1 ZINC000307012879 351420188 /nfs/dbraw/zinc/42/01/88/351420188.db2.gz NAJQFXDHFZRGOE-LPEHRKFASA-N 1 0 201.335 1.385 10 0 BDAERO N[C@H](CC[NH3+])c1c(F)cc(Cl)cc1F ZINC000307019360 351424147 /nfs/dbraw/zinc/42/41/47/351424147.db2.gz UWWRYDTYTNOZFU-MRVPVSSYSA-N 1 0 220.650 1.967 10 0 BDAERO Clc1nccc(CNC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070301 180601845 /nfs/dbraw/zinc/60/18/45/180601845.db2.gz IAPYKVFIHHRYAG-VIFPVBQESA-N 1 0 240.738 1.362 10 0 BDAERO C[C@H]([NH3+])c1cnc(CN2CCCC2)s1 ZINC000307144287 351502006 /nfs/dbraw/zinc/50/20/06/351502006.db2.gz HZURYYKKOWDSDT-QMMMGPOBSA-N 1 0 211.334 1.759 10 0 BDAERO C[C@](O)([C@H]1CC[NH2+]C1)C(F)(F)Br ZINC000307150331 351504360 /nfs/dbraw/zinc/50/43/60/351504360.db2.gz SVHCIYFIKKXIKO-WDSKDSINSA-N 1 0 244.079 1.335 10 0 BDAERO C/C(=C\Cl)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000232008587 351505771 /nfs/dbraw/zinc/50/57/71/351505771.db2.gz FUWFPFNWZVPYRU-HDXDTZNISA-N 1 0 202.729 1.811 10 0 BDAERO C[C@@H]1C[NH2+]C2(C[C@@H](C)O[C@H](C)C2)S1 ZINC000252099381 363039414 /nfs/dbraw/zinc/03/94/14/363039414.db2.gz IELPHKVJGBETFR-IWSPIJDZSA-N 1 0 201.335 1.995 10 0 BDAERO Clc1nccc(COC2CC[NH2+]CC2)n1 ZINC000095070307 180601530 /nfs/dbraw/zinc/60/15/30/180601530.db2.gz UEQKUXNFUARSOC-UHFFFAOYSA-N 1 0 227.695 1.399 10 0 BDAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]CCF ZINC000307107693 351483812 /nfs/dbraw/zinc/48/38/12/351483812.db2.gz FWYIFSUBIPWVFM-RKDXNWHRSA-N 1 0 234.315 1.847 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]1C2 ZINC000307108563 351484463 /nfs/dbraw/zinc/48/44/63/351484463.db2.gz GKIYSJIPLCZEPK-QWRGUYRKSA-N 1 0 240.347 1.995 10 0 BDAERO C/C(=C/Cl)CN1CC[NH2+]C[C@H]1C1CC1 ZINC000232012486 351531147 /nfs/dbraw/zinc/53/11/47/351531147.db2.gz VKCZDXDDLJPYNK-WDDYJBPVSA-N 1 0 214.740 1.813 10 0 BDAERO CC[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000307224099 351658087 /nfs/dbraw/zinc/65/80/87/351658087.db2.gz SCWRDULWPSSGCL-IUCAKERBSA-N 1 0 216.325 1.898 10 0 BDAERO CC[C@@]1(C(=O)c2cnccn2)CC[NH2+]C1 ZINC000226350416 351616518 /nfs/dbraw/zinc/61/65/18/351616518.db2.gz KDKJDEQOIDYZLK-LLVKDONJSA-N 1 0 205.261 1.049 10 0 BDAERO CC[C@@H]1CS[C@]2(C[C@@H](C)O[C@@H]2C)[NH2+]1 ZINC000307225944 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538102457 /nfs/dbraw/zinc/10/24/57/538102457.db2.gz YZXHLMGWALBWJQ-JTQLQIEISA-N 1 0 240.347 1.141 10 0 BDAERO OCc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000630075198 363160330 /nfs/dbraw/zinc/16/03/30/363160330.db2.gz VJRHTPWAVFLWGB-UHFFFAOYSA-N 1 0 221.300 1.039 10 0 BDAERO CC[C@H](C)N(C)CC[NH2+]CC(C)(C)O ZINC000219604550 363140843 /nfs/dbraw/zinc/14/08/43/363140843.db2.gz PUUOJODOEDLSHW-JTQLQIEISA-N 1 0 202.342 1.077 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccoc2)C1 ZINC000252761223 538102562 /nfs/dbraw/zinc/10/25/62/538102562.db2.gz XLLAOJWDEGTEGN-YPMHNXCESA-N 1 0 238.331 1.651 10 0 BDAERO CC(C)c1nsc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000083670697 352303365 /nfs/dbraw/zinc/30/33/65/352303365.db2.gz RTTZORFJAQIWBN-MRVPVSSYSA-N 1 0 226.349 1.825 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC2CC=CC2)C1 ZINC000638491754 352303491 /nfs/dbraw/zinc/30/34/91/352303491.db2.gz MODQDHNXNSZKAY-NWDGAFQWSA-N 1 0 222.332 1.586 10 0 BDAERO CC(C)COCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000167612809 535177294 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352471965 /nfs/dbraw/zinc/47/19/65/352471965.db2.gz VDWWFIRJHRMTOF-DTWKUNHWSA-N 1 0 234.290 1.760 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)c1cscn1 ZINC000307377688 352476079 /nfs/dbraw/zinc/47/60/79/352476079.db2.gz CGXBSFJNAMSKNW-YUMQZZPRSA-N 1 0 210.302 1.714 10 0 BDAERO CCOC(=O)[C@@H](CCCC[NH3+])[C@@H]1CCOC1 ZINC000725271901 538103565 /nfs/dbraw/zinc/10/35/65/538103565.db2.gz VTHRDTCWIVIMJT-MNOVXSKESA-N 1 0 229.320 1.331 10 0 BDAERO Clc1sccc1NC1=[NH+]CCN1 ZINC000307389300 352546830 /nfs/dbraw/zinc/54/68/30/352546830.db2.gz QFNMFIFRYPXWNX-UHFFFAOYSA-N 1 0 201.682 1.773 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000725271774 538103936 /nfs/dbraw/zinc/10/39/36/538103936.db2.gz SHZFFOVHKPPBLA-TUAOUCFPSA-N 1 0 226.364 1.866 10 0 BDAERO C[C@@]1(CNc2nncs2)CCC[NH2+]C1 ZINC000160002834 352550472 /nfs/dbraw/zinc/55/04/72/352550472.db2.gz OVAFFMYSNDIPAI-SECBINFHSA-N 1 0 212.322 1.340 10 0 BDAERO Cn1ncc(Cl)c1[C@H]([NH3+])C1CSC1 ZINC000404852599 352594725 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CCCC[C@H](C)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638894093 353055460 /nfs/dbraw/zinc/05/54/60/353055460.db2.gz OUTNRORVZIGHPT-SRVKXCTJSA-N 1 0 226.364 1.866 10 0 BDAERO CC(=O)Nc1ccccc1OCCC[NH3+] ZINC000019261421 188002466 /nfs/dbraw/zinc/00/24/66/188002466.db2.gz JFPSTDDXOOOACA-UHFFFAOYSA-N 1 0 208.261 1.373 10 0 BDAERO Cc1nc([C@]2(O)CCC[C@H]([NH3+])C2)cs1 ZINC000307718497 353109123 /nfs/dbraw/zinc/10/91/23/353109123.db2.gz LJLJOHVBSGPKRN-WPRPVWTQSA-N 1 0 212.318 1.540 10 0 BDAERO C[C@@H]1CSC[C@@H]1N1CC[NH2+]C[C@H]1C ZINC000307449254 353077688 /nfs/dbraw/zinc/07/76/88/353077688.db2.gz MJOODTRNKOBBSF-BBBLOLIVSA-N 1 0 200.351 1.032 10 0 BDAERO CC(C)[C@H](C)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638917272 353081024 /nfs/dbraw/zinc/08/10/24/353081024.db2.gz USDPJPCCHRGJFS-VWYCJHECSA-N 1 0 212.337 1.332 10 0 BDAERO COc1ncc(Br)cc1C(N)=[NH2+] ZINC000307691583 353093903 /nfs/dbraw/zinc/09/39/03/353093903.db2.gz PHDDERVBVJNFDL-UHFFFAOYSA-N 1 0 230.065 1.137 10 0 BDAERO 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CC(C)(C[NH3+])C(=O)N[C@H]1COc2ccccc21 ZINC000070530066 188047763 /nfs/dbraw/zinc/04/77/63/188047763.db2.gz RVLHNLWXQTVFGX-JTQLQIEISA-N 1 0 234.299 1.221 10 0 BDAERO C[C@@H](C(=O)N1CCCCC[C@@H]1C)C1C[NH2+]C1 ZINC000129262074 188048851 /nfs/dbraw/zinc/04/88/51/188048851.db2.gz FVCCGEKZIQNIDA-WDEREUQCSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(N)=S)C1 ZINC000229417543 353152027 /nfs/dbraw/zinc/15/20/27/353152027.db2.gz CQRZTMRGEAONOY-IWSPIJDZSA-N 1 0 200.351 1.639 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)C2CC2)[C@@H](C)C1 ZINC000381293363 538108926 /nfs/dbraw/zinc/10/89/26/538108926.db2.gz FGYLJPJPDZYHQT-CWSCBRNRSA-N 1 0 224.348 1.631 10 0 BDAERO O=C(C[C@H]1CCCC[NH2+]1)c1cscn1 ZINC000229142958 538109487 /nfs/dbraw/zinc/10/94/87/538109487.db2.gz NBXXQXCIMMQNKB-MRVPVSSYSA-N 1 0 210.302 1.858 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1O[C@H]1CCSC1 ZINC000405300727 353167266 /nfs/dbraw/zinc/16/72/66/353167266.db2.gz JFXMFSVZYHTFKY-UTLUCORTSA-N 1 0 201.335 1.507 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](O[C@@H]2CCSC2)C1 ZINC000405325904 353188599 /nfs/dbraw/zinc/18/85/99/353188599.db2.gz XDJNAQGMZRZOMJ-OPRDCNLKSA-N 1 0 201.335 1.778 10 0 BDAERO Cc1cc(NC(=O)C2([NH3+])CCOCC2)cs1 ZINC000638995222 353236231 /nfs/dbraw/zinc/23/62/31/353236231.db2.gz YHHMZTSCUJNUHI-UHFFFAOYSA-N 1 0 240.328 1.503 10 0 BDAERO C[C@@H](CC1CCC1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000638998911 353245016 /nfs/dbraw/zinc/24/50/16/353245016.db2.gz XCLSSAAQKVGXFR-JQWIXIFHSA-N 1 0 224.348 1.681 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)CC1CCC1 ZINC000638998991 353245980 /nfs/dbraw/zinc/24/59/80/353245980.db2.gz XSCMIBWWMXTRNG-MWLCHTKSSA-N 1 0 212.337 1.809 10 0 BDAERO C[C@@H](CC1CCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000638996142 353239436 /nfs/dbraw/zinc/23/94/36/353239436.db2.gz JUSLKHVVXCDSDQ-GXSJLCMTSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@]1(NC2=[NH+]CCCS2)CCOC1 ZINC000229480694 353270497 /nfs/dbraw/zinc/27/04/97/353270497.db2.gz BTSQEHVGGDYRRU-VIFPVBQESA-N 1 0 200.307 1.248 10 0 BDAERO C[C@H]1C[NH+]=C(N[C@@]2(C)CCOC2)S1 ZINC000229481060 353278395 /nfs/dbraw/zinc/27/83/95/353278395.db2.gz QWXAMKUSRFHDLB-CBAPKCEASA-N 1 0 200.307 1.246 10 0 BDAERO C[C@H]1C[NH+]=C(N[C@]2(C)CCOC2)S1 ZINC000229481078 353278556 /nfs/dbraw/zinc/27/85/56/353278556.db2.gz QWXAMKUSRFHDLB-IONNQARKSA-N 1 0 200.307 1.246 10 0 BDAERO C[NH2+][C@@H]1CCC[C@@H]1Sc1ncnn1C ZINC000128123459 353282567 /nfs/dbraw/zinc/28/25/67/353282567.db2.gz DJFMTRVACLGTIU-SFYZADRCSA-N 1 0 212.322 1.048 10 0 BDAERO CC[C@H]([NH3+])[C@H](O)c1ccc(Br)cn1 ZINC000129049743 353308415 /nfs/dbraw/zinc/30/84/15/353308415.db2.gz OSUAQIWFLOMTIZ-CBAPKCEASA-N 1 0 245.120 1.615 10 0 BDAERO CCOCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661828 353303620 /nfs/dbraw/zinc/30/36/20/353303620.db2.gz PXRRTYYBZMHSKX-NEPJUHHUSA-N 1 0 240.347 1.108 10 0 BDAERO CC(C)Nc1nc[nH+]c(NN)c1Br ZINC000232744411 353322943 /nfs/dbraw/zinc/32/29/43/353322943.db2.gz YJQMVXSCKBLMKT-UHFFFAOYSA-N 1 0 246.112 1.345 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1Oc1ncc(Cl)cn1 ZINC000131647101 353372510 /nfs/dbraw/zinc/37/25/10/353372510.db2.gz ZOVJDGWPMYRHKF-YUMQZZPRSA-N 1 0 213.668 1.389 10 0 BDAERO C[C@H](NCc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000571669481 353489243 /nfs/dbraw/zinc/48/92/43/353489243.db2.gz OKFBTGQLRZYAPB-QWRGUYRKSA-N 1 0 208.305 1.757 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1O[C@@H]1CCSC1 ZINC000405452813 353490741 /nfs/dbraw/zinc/49/07/41/353490741.db2.gz YBFXLHOZVWZCSG-BBBLOLIVSA-N 1 0 201.335 1.778 10 0 BDAERO N#Cc1cnccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000398989018 353493829 /nfs/dbraw/zinc/49/38/29/353493829.db2.gz KAFGYVAYBRPKMB-NEPJUHHUSA-N 1 0 228.299 1.284 10 0 BDAERO CC(C)N(C[C@H]1CCC[NH2+]1)C(=O)C(F)(F)F ZINC000232810174 353527877 /nfs/dbraw/zinc/52/78/77/353527877.db2.gz ZRJBPSPEHXNDCW-MRVPVSSYSA-N 1 0 238.253 1.538 10 0 BDAERO CC1CCC([C@@H]([NH3+])CC2OCCO2)CC1 ZINC000232815786 353582688 /nfs/dbraw/zinc/58/26/88/353582688.db2.gz SFXCZTUAYMYZRQ-ILDUYXDCSA-N 1 0 213.321 1.903 10 0 BDAERO 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ZINC000578055241 366205037 /nfs/dbraw/zinc/20/50/37/366205037.db2.gz QIXQICQIMOWCFX-UHFFFAOYSA-N 1 0 238.335 1.675 10 0 BDAERO C[C@@H]1CCC[N@H+](C/C=C\Cl)[C@H]1CO ZINC000308189971 354649181 /nfs/dbraw/zinc/64/91/81/354649181.db2.gz MWPOPKRXRNNIRU-OSCQXZJKSA-N 1 0 203.713 1.832 10 0 BDAERO CCn1ccnc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000219001010 354606003 /nfs/dbraw/zinc/60/60/03/354606003.db2.gz VBNLUXVANRPQHH-NWDGAFQWSA-N 1 0 237.347 1.544 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234027708 363413643 /nfs/dbraw/zinc/41/36/43/363413643.db2.gz UOLWPQWETCLQRY-ZRUFSTJUSA-N 1 0 212.337 1.393 10 0 BDAERO C[C@@H](CC[NH3+])Nc1nccc2occc21 ZINC000235089729 363436909 /nfs/dbraw/zinc/43/69/09/363436909.db2.gz XDNOEEDQDCDOES-QMMMGPOBSA-N 1 0 205.261 1.977 10 0 BDAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC1(O)CCC1 ZINC000335172499 354938293 /nfs/dbraw/zinc/93/82/93/354938293.db2.gz BLODNWOJMDWYHH-PHIMTYICSA-N 1 0 213.321 1.401 10 0 BDAERO CC(C)c1nccnc1NC[C@H](C)[NH+](C)C ZINC000413086968 191355328 /nfs/dbraw/zinc/35/53/28/191355328.db2.gz UADZREAXWAQUBJ-JTQLQIEISA-N 1 0 222.336 1.384 10 0 BDAERO NC(=[NH2+])CCCCOc1ccc2c(c1)OCO2 ZINC000049579938 181186707 /nfs/dbraw/zinc/18/67/07/181186707.db2.gz MFBYMRBTURCLQH-UHFFFAOYSA-N 1 0 236.271 1.900 10 0 BDAERO CN(c1nc(C[NH3+])co1)[C@H]1CCSC1 ZINC000166121997 355299393 /nfs/dbraw/zinc/29/93/93/355299393.db2.gz CXKDAPISDJCAOE-QMMMGPOBSA-N 1 0 213.306 1.075 10 0 BDAERO FC(F)(F)OCCO[C@@H]1CCC[NH2+]C1 ZINC000084178342 355312157 /nfs/dbraw/zinc/31/21/57/355312157.db2.gz NKGFALGEHBCQJY-SSDOTTSWSA-N 1 0 213.199 1.291 10 0 BDAERO C[NH2+][C@@H]1CO[C@H](C)[C@@H]1[C@H]1CCSC1 ZINC000405824015 355320355 /nfs/dbraw/zinc/32/03/55/355320355.db2.gz PIGFNCYAOQAGNE-UTINFBMNSA-N 1 0 201.335 1.362 10 0 BDAERO CN1C(=[NH2+])NC[C@H]1c1ncc(Cl)s1 ZINC000223338303 355376909 /nfs/dbraw/zinc/37/69/09/355376909.db2.gz IBARKVZEWYCPPJ-BYPYZUCNSA-N 1 0 216.697 1.098 10 0 BDAERO CC[NH2+]Cc1cc(Br)cnc1NC ZINC000166289682 355354838 /nfs/dbraw/zinc/35/48/38/355354838.db2.gz MLRKKYYTXXIBAX-UHFFFAOYSA-N 1 0 244.136 1.995 10 0 BDAERO NC(=[NH2+])Nc1cccc(-c2c[nH]cn2)c1 ZINC000027215351 181191674 /nfs/dbraw/zinc/19/16/74/181191674.db2.gz MTZJMMAPMXRYAB-UHFFFAOYSA-N 1 0 201.233 1.382 10 0 BDAERO NC(=[NH2+])Nc1ccc(OC(F)F)cc1 ZINC000052091890 181191773 /nfs/dbraw/zinc/19/17/73/181191773.db2.gz VQMJDPQBTQQEPM-UHFFFAOYSA-N 1 0 201.176 1.593 10 0 BDAERO NC(=[NH2+])SCc1ccc2nsnc2c1 ZINC000004642702 181192257 /nfs/dbraw/zinc/19/22/57/181192257.db2.gz VAMAWCQKDQNWBS-UHFFFAOYSA-N 1 0 224.314 1.818 10 0 BDAERO NC(=[NH2+])c1cc(F)ccc1N1CCCOCC1 ZINC000104230503 181193695 /nfs/dbraw/zinc/19/36/95/181193695.db2.gz UFDAJPJGQYUWFT-UHFFFAOYSA-N 1 0 237.278 1.336 10 0 BDAERO NC(=[NH2+])c1ccc(OC[C@H]2CCCO2)cc1 ZINC000019431446 181195384 /nfs/dbraw/zinc/19/53/84/181195384.db2.gz NAGISWNWBFMPCF-LLVKDONJSA-N 1 0 220.272 1.528 10 0 BDAERO NC(=[NH2+])c1cccc(COC[C@H]2CCCO2)c1 ZINC000019425051 181196299 /nfs/dbraw/zinc/19/62/99/181196299.db2.gz 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1 0 228.336 1.552 10 0 BDAERO C1C[NH2+][C@H](c2nc3c(s2)COCC3)C1 ZINC000053251478 355872123 /nfs/dbraw/zinc/87/21/23/355872123.db2.gz VGGRBGJRPRJBTE-QMMMGPOBSA-N 1 0 210.302 1.640 10 0 BDAERO C[C@H](NC(N)=[NH2+])c1ccc(Br)cc1 ZINC000053278568 355919658 /nfs/dbraw/zinc/91/96/58/355919658.db2.gz YCVFSECGEPBKPS-LURJTMIESA-N 1 0 242.120 1.993 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2nc(C)cc(C)n2)C1 ZINC000389259734 355937516 /nfs/dbraw/zinc/93/75/16/355937516.db2.gz DBWPFMZCDSSNGX-LLVKDONJSA-N 1 0 220.320 1.600 10 0 BDAERO Cc1ccnc(C[C@@H](O)C2CC[NH2+]CC2)c1 ZINC000167297434 355982624 /nfs/dbraw/zinc/98/26/24/355982624.db2.gz JUXFGTHBOBFWRJ-CYBMUJFWSA-N 1 0 220.316 1.293 10 0 BDAERO NC(=O)CCC[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000037636526 181222576 /nfs/dbraw/zinc/22/25/76/181222576.db2.gz OMHDETSSAVBAQU-VIFPVBQESA-N 1 0 246.232 1.759 10 0 BDAERO NC(=O)CNCc1c(Cl)cccc1Cl ZINC000019393316 181235338 /nfs/dbraw/zinc/23/53/38/181235338.db2.gz VUMYOYIFGBAYHR-UHFFFAOYSA-N 1 0 233.098 1.568 10 0 BDAERO 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227.348 1.506 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)c1cccnc1 ZINC000037969783 181264517 /nfs/dbraw/zinc/26/45/17/181264517.db2.gz WLPBCGOPKFQZHY-LBPRGKRZSA-N 1 0 233.315 1.530 10 0 BDAERO NC(=O)[C@@]1([NH2+]C2CCCC2)CCCSC1 ZINC000061590453 181275063 /nfs/dbraw/zinc/27/50/63/181275063.db2.gz CIDKOAFPOPZHGT-LLVKDONJSA-N 1 0 228.361 1.270 10 0 BDAERO Cc1csc(N[C@](C)(C[NH3+])C2CC2)n1 ZINC000168587620 356425756 /nfs/dbraw/zinc/42/57/56/356425756.db2.gz YZHAAMJEJPPCLQ-SNVBAGLBSA-N 1 0 211.334 1.991 10 0 BDAERO CN(CCC[NH3+])c1cc(C(F)(F)F)ccn1 ZINC000085486087 356477460 /nfs/dbraw/zinc/47/74/60/356477460.db2.gz HYLUWFDQFQALGX-UHFFFAOYSA-N 1 0 233.237 1.885 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000037870464 181278156 /nfs/dbraw/zinc/27/81/56/181278156.db2.gz DDPDRZOYDDFSBZ-SNVBAGLBSA-N 1 0 224.691 1.618 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCC1)[C@@H]1CC=CCC1 ZINC000037968987 181278443 /nfs/dbraw/zinc/27/84/43/181278443.db2.gz MBJRCAZVXLPKMR-ZYHUDNBSSA-N 1 0 222.332 1.729 10 0 BDAERO NC(=O)[C@]1([NH2+]C2CCCCC2)CCSC1 ZINC000037969642 181284712 /nfs/dbraw/zinc/28/47/12/181284712.db2.gz RCXDGUBSITXTFA-NSHDSACASA-N 1 0 228.361 1.270 10 0 BDAERO CO[C@@H]1COC[C@@H]1[N@@H+]1CCSC(C)(C)C1 ZINC000336201568 134130885 /nfs/dbraw/zinc/13/08/85/134130885.db2.gz XTJKZEHHBMVNDJ-VHSXEESVSA-N 1 0 231.361 1.228 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOC1CCC1 ZINC000421020142 192305504 /nfs/dbraw/zinc/30/55/04/192305504.db2.gz NLOHAALHSJQRIW-QWRGUYRKSA-N 1 0 213.321 1.401 10 0 BDAERO CCCc1nccnc1N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000630090588 363492447 /nfs/dbraw/zinc/49/24/47/363492447.db2.gz CIQSQMVEHZXISU-GHMZBOCLSA-N 1 0 234.347 1.460 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000639665488 356580621 /nfs/dbraw/zinc/58/06/21/356580621.db2.gz YIPQTZVKURGZCG-WOPDTQHZSA-N 1 0 227.348 1.647 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(Br)o1 ZINC000083303943 538466781 /nfs/dbraw/zinc/46/67/81/538466781.db2.gz FOVMQYYJNVBMSJ-RXMQYKEDSA-N 1 0 220.066 1.424 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1C1CC1 ZINC000675050587 538472386 /nfs/dbraw/zinc/47/23/86/538472386.db2.gz BLGXXHUWLGPVMB-VHSXEESVSA-N 1 0 211.305 1.574 10 0 BDAERO COc1cccnc1N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000630093369 363526264 /nfs/dbraw/zinc/52/62/64/363526264.db2.gz NKJNJSUJAROGEC-NXEZZACHSA-N 1 0 221.304 1.121 10 0 BDAERO CC(C)c1noc([C@H]2OCC[C@H]2C[NH3+])n1 ZINC000675058367 538481779 /nfs/dbraw/zinc/48/17/79/538481779.db2.gz BRPQOKSEDZIZSU-YUMQZZPRSA-N 1 0 211.265 1.229 10 0 BDAERO CCCC(=O)N1CCO[C@@](C[NH3+])(CCC)C1 ZINC000675058963 538482239 /nfs/dbraw/zinc/48/22/39/538482239.db2.gz DVGBXDDMVRUMDJ-GFCCVEGCSA-N 1 0 228.336 1.143 10 0 BDAERO CC[C@]1(C[NH3+])CN(C(=O)[C@H](C)C(C)C)CCO1 ZINC000675059122 538482932 /nfs/dbraw/zinc/48/29/32/538482932.db2.gz KUQJQRQYOXEPHB-YPMHNXCESA-N 1 0 242.363 1.245 10 0 BDAERO C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](CO)O2)C1 ZINC000675058992 538483115 /nfs/dbraw/zinc/48/31/15/538483115.db2.gz GFOHXWXTXMNEEG-GRYCIOLGSA-N 1 0 213.321 1.258 10 0 BDAERO CC(C)[C@H](C)NC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000675051684 538475238 /nfs/dbraw/zinc/47/52/38/538475238.db2.gz YSHYRDKYKPPBGP-GRYCIOLGSA-N 1 0 241.379 1.576 10 0 BDAERO COCCC[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000675055646 538476307 /nfs/dbraw/zinc/47/63/07/538476307.db2.gz YOQNOXGNSINGOA-VXGBXAGGSA-N 1 0 213.321 1.572 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056691 538478927 /nfs/dbraw/zinc/47/89/27/538478927.db2.gz ODERRQOMDIVQOT-WOPDTQHZSA-N 1 0 239.363 1.424 10 0 BDAERO CC[C@H](C)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056851 538478990 /nfs/dbraw/zinc/47/89/90/538478990.db2.gz QVIXBXHTHFGNHL-JTQLQIEISA-N 1 0 245.388 1.732 10 0 BDAERO COc1cc2c(cc1F)C[C@H]([C@H](C)[NH3+])CO2 ZINC000675063592 538490063 /nfs/dbraw/zinc/49/00/63/538490063.db2.gz JFYOXHONGSDFLA-CBAPKCEASA-N 1 0 225.263 1.733 10 0 BDAERO CSC[C@@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675067373 538493761 /nfs/dbraw/zinc/49/37/61/538493761.db2.gz BNTHPASFOCUFPE-VIFPVBQESA-N 1 0 211.334 1.589 10 0 BDAERO N[C@H]1C=C(c2ccc(Cl)cc2)C[NH2+]C1 ZINC000675076650 538511275 /nfs/dbraw/zinc/51/12/75/538511275.db2.gz FMHQUNHIORPYCO-NSHDSACASA-N 1 0 208.692 1.654 10 0 BDAERO CC(C)CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675069934 538499572 /nfs/dbraw/zinc/49/95/72/538499572.db2.gz JTLFTJTVYUVHLI-WRWGMCAJSA-N 1 0 224.348 1.522 10 0 BDAERO CC(C)CNC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675071000 538501813 /nfs/dbraw/zinc/50/18/13/538501813.db2.gz VGQNSROVPGUDFI-FIQHERPVSA-N 1 0 239.363 1.315 10 0 BDAERO CCc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000675072406 538503178 /nfs/dbraw/zinc/50/31/78/538503178.db2.gz FQLAVQKXVHRMAY-JTQLQIEISA-N 1 0 208.309 1.230 10 0 BDAERO [NH3+]Cc1csc(NC(=O)CC2CC2)n1 ZINC000675072737 538503888 /nfs/dbraw/zinc/50/38/88/538503888.db2.gz GYFPTIOOGKLVFG-UHFFFAOYSA-N 1 0 211.290 1.340 10 0 BDAERO CC(C)CC[NH2+]C[C@H]1CCCCNC1=O ZINC000675074811 538507989 /nfs/dbraw/zinc/50/79/89/538507989.db2.gz AYLHJOBALIUHHV-LLVKDONJSA-N 1 0 212.337 1.538 10 0 BDAERO O=C1NCCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC000675075996 538510695 /nfs/dbraw/zinc/51/06/95/538510695.db2.gz YIAKJRKMRHHRFS-GFCCVEGCSA-N 1 0 224.348 1.683 10 0 BDAERO CCc1cn2c(n1)[C@@H](CCF)[NH2+]CCC2 ZINC000675068922 538497665 /nfs/dbraw/zinc/49/76/65/538497665.db2.gz UAORVPOIVNZNOM-SNVBAGLBSA-N 1 0 211.284 1.840 10 0 BDAERO CCCNC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675069525 538498675 /nfs/dbraw/zinc/49/86/75/538498675.db2.gz HUKOKPWEGROLOM-ZNSHCXBVSA-N 1 0 225.336 1.069 10 0 BDAERO O[C@H]1C=C(Cc2ncccc2Cl)C[NH2+]C1 ZINC000675077694 538513749 /nfs/dbraw/zinc/51/37/49/538513749.db2.gz QSYJPZHVESNEQB-VIFPVBQESA-N 1 0 224.691 1.168 10 0 BDAERO Cc1nc(CC2=C[C@@H](O)C[NH2+]C2)sc1C ZINC000675077746 538513765 /nfs/dbraw/zinc/51/37/65/538513765.db2.gz REORPILPIXLKKJ-SNVBAGLBSA-N 1 0 224.329 1.193 10 0 BDAERO N[C@@H]1C=C(Cc2ccncc2Cl)C[NH2+]C1 ZINC000675077430 538514005 /nfs/dbraw/zinc/51/40/05/538514005.db2.gz FAFGBNPWMLJFLW-SNVBAGLBSA-N 1 0 223.707 1.134 10 0 BDAERO Cc1ccc(C2=C[C@H](O)C[NH2+]C2)c(F)c1 ZINC000675078405 538514801 /nfs/dbraw/zinc/51/48/01/538514801.db2.gz YCAIDZRDDKFSBR-JTQLQIEISA-N 1 0 207.248 1.482 10 0 BDAERO CSc1cccc(C2=C[C@H](O)C[NH2+]C2)c1 ZINC000675078610 538515826 /nfs/dbraw/zinc/51/58/26/538515826.db2.gz ZPZREDHODLAINL-NSHDSACASA-N 1 0 221.325 1.756 10 0 BDAERO [NH3+]C[C@@H]1C[C@@]1(CO)c1ccc(Cl)cc1 ZINC000675079058 538517561 /nfs/dbraw/zinc/51/75/61/538517561.db2.gz VKKZODYZHOEMSX-GXSJLCMTSA-N 1 0 211.692 1.549 10 0 BDAERO CC1(C(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000675079838 538519052 /nfs/dbraw/zinc/51/90/52/538519052.db2.gz JHKWUIQCBHJXKX-RYUDHWBXSA-N 1 0 230.311 1.527 10 0 BDAERO C[NH2+][C@@H](COC)c1cnnn1Cc1ccccc1 ZINC000675080886 538520549 /nfs/dbraw/zinc/52/05/49/538520549.db2.gz XHXCLLWUGHOBAE-LBPRGKRZSA-N 1 0 246.314 1.233 10 0 BDAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1nnc[nH]1 ZINC000083746578 538521483 /nfs/dbraw/zinc/52/14/83/538521483.db2.gz DPQAIBKSNKKGAZ-JTQLQIEISA-N 1 0 220.251 1.447 10 0 BDAERO CC(C)[C@H](CC[NH3+])NC(=O)OC(C)(C)C ZINC000084396801 538532625 /nfs/dbraw/zinc/53/26/25/538532625.db2.gz TZVDFSBPCDPXQW-VIFPVBQESA-N 1 0 216.325 1.885 10 0 BDAERO CC(C)C[NH2+]CCN1C[C@@H]2CCC[C@@H]2C1 ZINC000126547113 538534361 /nfs/dbraw/zinc/53/43/61/538534361.db2.gz KSXYGKJTVDIEND-BETUJISGSA-N 1 0 210.365 1.964 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ncc(F)cc1F ZINC000160388373 356697635 /nfs/dbraw/zinc/69/76/35/356697635.db2.gz WQMHTDHXODFGOW-ZCFIWIBFSA-N 1 0 201.220 1.143 10 0 BDAERO O=C(C[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000086499675 538555994 /nfs/dbraw/zinc/55/59/94/538555994.db2.gz JMIVHKOMZOCYMJ-JTQLQIEISA-N 1 0 204.273 1.797 10 0 BDAERO CCOC(=O)C(=O)C[C@H]1CCCCC[NH2+]1 ZINC000086499824 538556151 /nfs/dbraw/zinc/55/61/51/538556151.db2.gz XOJBDIYVJLYBOL-SECBINFHSA-N 1 0 213.277 1.041 10 0 BDAERO [NH3+][C@@H](Cc1ccncc1)c1ncccn1 ZINC000083951502 538526085 /nfs/dbraw/zinc/52/60/85/538526085.db2.gz MCNSZYYZIQDCLE-JTQLQIEISA-N 1 0 200.245 1.114 10 0 BDAERO Cc1ccc(C[NH2+][C@@H](C(N)=O)C(C)C)s1 ZINC000223956304 538594125 /nfs/dbraw/zinc/59/41/25/538594125.db2.gz UZPWGAWSNZMNKR-SNVBAGLBSA-N 1 0 226.345 1.656 10 0 BDAERO CCC[C@H](C)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000180084852 366371196 /nfs/dbraw/zinc/37/11/96/366371196.db2.gz LLPPNROAUQVQIQ-BFHYXJOUSA-N 1 0 242.407 1.810 10 0 BDAERO C[C@H](O)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000578187163 366372141 /nfs/dbraw/zinc/37/21/41/366372141.db2.gz RWGGPXUEOJAPRG-MMWGEVLESA-N 1 0 201.310 1.160 10 0 BDAERO CCc1nsc(NC2(C[NH3+])CCC2)n1 ZINC000129847984 356986640 /nfs/dbraw/zinc/98/66/40/356986640.db2.gz SDKJHVJXMIAECJ-UHFFFAOYSA-N 1 0 212.322 1.394 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000152307265 357024498 /nfs/dbraw/zinc/02/44/98/357024498.db2.gz OOTLDCMHXHKGLT-UWVGGRQHSA-N 1 0 226.345 1.784 10 0 BDAERO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2O)n1 ZINC000399762028 357041183 /nfs/dbraw/zinc/04/11/83/357041183.db2.gz SMYYULUPJPAZIK-ZIAGYGMSSA-N 1 0 234.343 1.826 10 0 BDAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncnc2c1CCC2 ZINC000389706126 357016633 /nfs/dbraw/zinc/01/66/33/357016633.db2.gz NZSOWSPQLQAPPG-CABZTGNLSA-N 1 0 232.331 1.375 10 0 BDAERO Cc1nsc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000160620808 357133173 /nfs/dbraw/zinc/13/31/73/357133173.db2.gz SXYKMHYGFIHDJD-SVRRBLITSA-N 1 0 212.322 1.020 10 0 BDAERO CCCCCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403997184 357143234 /nfs/dbraw/zinc/14/32/34/357143234.db2.gz LLVLYLLWQAFTBN-RYUDHWBXSA-N 1 0 240.347 1.156 10 0 BDAERO [NH3+][C@@H]1C[C@H]1c1ccc(Br)cn1 ZINC000130025076 357155699 /nfs/dbraw/zinc/15/56/99/357155699.db2.gz CKVMIGWMMNHTJR-RNFRBKRXSA-N 1 0 213.078 1.659 10 0 BDAERO CCc1nc(C)cc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000304274478 357161064 /nfs/dbraw/zinc/16/10/64/357161064.db2.gz DDUUORXGIVNBAS-SNVBAGLBSA-N 1 0 222.336 1.743 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccnc(C)c2)c1 ZINC000391174541 357125083 /nfs/dbraw/zinc/12/50/83/357125083.db2.gz HKUXGCCLNSRJKE-UHFFFAOYSA-N 1 0 230.315 1.685 10 0 BDAERO CCC[C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000157193134 538811700 /nfs/dbraw/zinc/81/17/00/538811700.db2.gz KGIZCYDWOASNKJ-ZYHUDNBSSA-N 1 0 212.337 1.681 10 0 BDAERO CCCCNC(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000157201890 538812558 /nfs/dbraw/zinc/81/25/58/538812558.db2.gz FDNWYEJPOLOSCT-LLVKDONJSA-N 1 0 213.325 1.228 10 0 BDAERO CC(C)(C)NC(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000157205107 538813528 /nfs/dbraw/zinc/81/35/28/538813528.db2.gz FDTSJYICKSWAEQ-LLVKDONJSA-N 1 0 213.325 1.226 10 0 BDAERO C[C@@H]1C[C@H](N2C[C@H]([NH3+])[C@@H](C)C2)CS1 ZINC000300049709 357177346 /nfs/dbraw/zinc/17/73/46/357177346.db2.gz UJCABGXUIQZDRW-JXUBOQSCSA-N 1 0 200.351 1.159 10 0 BDAERO CN1CCSC[C@@H]1[C@H]([NH3+])c1ccsc1 ZINC000300053326 357180559 /nfs/dbraw/zinc/18/05/59/357180559.db2.gz OKTHZQIPGAFPJL-NXEZZACHSA-N 1 0 228.386 1.795 10 0 BDAERO O[C@@]1(Cc2cncs2)CCC[NH2+]CC1 ZINC000160705881 357184481 /nfs/dbraw/zinc/18/44/81/357184481.db2.gz FJABHPBCABRDNX-JTQLQIEISA-N 1 0 212.318 1.190 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC(C)(C)C(C)(C)O ZINC000393614988 357290266 /nfs/dbraw/zinc/29/02/66/357290266.db2.gz JBTPLLXQMZXPJK-JTQLQIEISA-N 1 0 231.380 1.780 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CC(C)(C)C(C)(C)O ZINC000393614991 357290365 /nfs/dbraw/zinc/29/03/65/357290365.db2.gz JBTPLLXQMZXPJK-SNVBAGLBSA-N 1 0 231.380 1.780 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC000393783157 357299590 /nfs/dbraw/zinc/29/95/90/357299590.db2.gz UWVUOPALTLAFQT-WYNUPADASA-N 1 0 210.321 1.228 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000393813735 357301164 /nfs/dbraw/zinc/30/11/64/357301164.db2.gz RKXFXERRVPEWFA-RYUDHWBXSA-N 1 0 229.364 1.942 10 0 BDAERO Cc1cnccc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392898315 357262542 /nfs/dbraw/zinc/26/25/42/357262542.db2.gz RBELEMUOBQAKOT-PWSUYJOCSA-N 1 0 233.315 1.147 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000393251284 357279512 /nfs/dbraw/zinc/27/95/12/357279512.db2.gz CAMPXDNTYPNYKN-XDQVBPFNSA-N 1 0 217.312 1.761 10 0 BDAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(Br)cn1 ZINC000130093440 357279777 /nfs/dbraw/zinc/27/97/77/357279777.db2.gz HDPCXOWVRSQUIP-SVRRBLITSA-N 1 0 227.105 1.906 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000393251286 357279876 /nfs/dbraw/zinc/27/98/76/357279876.db2.gz CAMPXDNTYPNYKN-XJFOESAGSA-N 1 0 217.312 1.761 10 0 BDAERO CC(C)(C)[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000393982427 357313472 /nfs/dbraw/zinc/31/34/72/357313472.db2.gz RNDKMDIYKICLGS-MXWKQRLJSA-N 1 0 215.337 1.287 10 0 BDAERO CC(C)[C@@H](CO)C[NH2+]C[C@H](O)C(C)(C)C ZINC000394025449 357315041 /nfs/dbraw/zinc/31/50/41/357315041.db2.gz BNVYUEUOVJLCRZ-MNOVXSKESA-N 1 0 217.353 1.248 10 0 BDAERO CC(C)n1nccc1C[NH2+]CC1CC(O)C1 ZINC000394616830 357369028 /nfs/dbraw/zinc/36/90/28/357369028.db2.gz RQKQPYXMHFJTCB-UHFFFAOYSA-N 1 0 223.320 1.325 10 0 BDAERO [NH3+][C@@H]1c2c(cc(Cl)cc2Cl)C[C@@H]1O ZINC000039941446 491110686 /nfs/dbraw/zinc/11/06/86/491110686.db2.gz IJHKJZKBSPGVQB-CBAPKCEASA-N 1 0 218.083 1.910 10 0 BDAERO OC1(c2ccc(F)c(Cl)c2)C[NH2+]C1 ZINC000219938932 357390042 /nfs/dbraw/zinc/39/00/42/357390042.db2.gz CINMNMIQJCEBOD-UHFFFAOYSA-N 1 0 201.628 1.270 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1C1CCC1 ZINC000582974752 357449203 /nfs/dbraw/zinc/44/92/03/357449203.db2.gz IAUVLRGFFNKRNG-KOLCDFICSA-N 1 0 210.321 1.385 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230371618 357529944 /nfs/dbraw/zinc/52/99/44/357529944.db2.gz ACCDYNLZLVAMNT-OLZOCXBDSA-N 1 0 229.364 1.630 10 0 BDAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCCCCCC1 ZINC000188201119 357534599 /nfs/dbraw/zinc/53/45/99/357534599.db2.gz IXIAIFBKPZMGCC-WDEREUQCSA-N 1 0 228.311 1.479 10 0 BDAERO Cc1cnc([C@@H](C)[NH2+]CCc2ccnn2C)o1 ZINC000231030184 357595770 /nfs/dbraw/zinc/59/57/70/357595770.db2.gz ONQMTGUUBPHPFI-SNVBAGLBSA-N 1 0 234.303 1.610 10 0 BDAERO N[C@@H]1C[NH2+]CC[C@@H]1c1cccc2occc21 ZINC000685946578 538885945 /nfs/dbraw/zinc/88/59/45/538885945.db2.gz AWAJEHKMCVOQDG-ZYHUDNBSSA-N 1 0 216.284 1.837 10 0 BDAERO CC1(C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000685946784 538886359 /nfs/dbraw/zinc/88/63/59/538886359.db2.gz NIBDCMSLKHOXSR-CABZTGNLSA-N 1 0 208.305 1.126 10 0 BDAERO [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)CC1CC1 ZINC000685946699 538886992 /nfs/dbraw/zinc/88/69/92/538886992.db2.gz MJOVEHJEJRZFDI-PWSUYJOCSA-N 1 0 208.305 1.126 10 0 BDAERO O=C(NC[C@]12CC[C@H]1CC[NH2+]2)C1CCC1 ZINC000685946033 538887501 /nfs/dbraw/zinc/88/75/01/538887501.db2.gz CBVUJEMWFXLSKJ-CMPLNLGQSA-N 1 0 208.305 1.045 10 0 BDAERO CC(C)(C)C(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685946030 538887535 /nfs/dbraw/zinc/88/75/35/538887535.db2.gz BWTVMUNMCYSYKK-SKDRFNHKSA-N 1 0 210.321 1.291 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000685945938 538887545 /nfs/dbraw/zinc/88/75/45/538887545.db2.gz HEHHXEAMXBKUSZ-NEPJUHHUSA-N 1 0 208.280 1.620 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1cccc(N)c1 ZINC000685946335 538887905 /nfs/dbraw/zinc/88/79/05/538887905.db2.gz PNWZMAFXKUGOPA-NWDGAFQWSA-N 1 0 205.305 1.063 10 0 BDAERO CCC[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946306 538887918 /nfs/dbraw/zinc/88/79/18/538887918.db2.gz NSMDEBLYCHSXAV-LPEHRKFASA-N 1 0 216.300 1.239 10 0 BDAERO CC[C@]1([NH3+])CCCN(C(=O)C2CCC2)C1 ZINC000685946935 538887929 /nfs/dbraw/zinc/88/79/29/538887929.db2.gz GXQGYANMHYUETH-LBPRGKRZSA-N 1 0 210.321 1.516 10 0 BDAERO CCC[C@H](C)C(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000685947214 538888699 /nfs/dbraw/zinc/88/86/99/538888699.db2.gz JXOCDQWQYUQJAC-NSHDSACASA-N 1 0 224.348 1.635 10 0 BDAERO CC[C@]1(NC(=O)NC(C)C)CCC[NH2+]C1 ZINC000685946937 538888903 /nfs/dbraw/zinc/88/89/03/538888903.db2.gz GYLPZWQNAOOCAS-NSHDSACASA-N 1 0 213.325 1.226 10 0 BDAERO CC(C)CC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000685947162 538888952 /nfs/dbraw/zinc/88/89/52/538888952.db2.gz SEHQQHNCCPRHAB-ZYHUDNBSSA-N 1 0 210.321 1.372 10 0 BDAERO CCOc1ccccc1[C@@H](N)CC[NH2+]C ZINC000685947837 538889810 /nfs/dbraw/zinc/88/98/10/538889810.db2.gz RPICCYUAMMGGFQ-NSHDSACASA-N 1 0 208.305 1.695 10 0 BDAERO CC1CC[NH+]([C@@H]2CCNC[C@H]2F)CC1 ZINC000685948237 538890050 /nfs/dbraw/zinc/89/00/50/538890050.db2.gz CPSHMAPKZNDMOQ-GHMZBOCLSA-N 1 0 200.301 1.418 10 0 BDAERO OC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]3CC[C@H]32)C1 ZINC000685948232 538890214 /nfs/dbraw/zinc/89/02/14/538890214.db2.gz BRDDJFDFZGRONW-YVECIDJPSA-N 1 0 209.333 1.879 10 0 BDAERO CC(C)(C)C1CCC(N)(C2=[NH+]CCN2)CC1 ZINC000685948113 538890296 /nfs/dbraw/zinc/89/02/96/538890296.db2.gz XZTHEVVBVPJHSY-UHFFFAOYSA-N 1 0 223.364 1.922 10 0 BDAERO CC1(C)CC[NH+]([C@H]2CCNC[C@@H]2F)CC1 ZINC000685948243 538890598 /nfs/dbraw/zinc/89/05/98/538890598.db2.gz CPXXKMIHTSUWHM-QWRGUYRKSA-N 1 0 214.328 1.808 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])C(=O)NC(C)C)c1 ZINC000685948493 538890859 /nfs/dbraw/zinc/89/08/59/538890859.db2.gz ACGOEUJWUGUGJL-GFCCVEGCSA-N 1 0 220.316 1.562 10 0 BDAERO C[C@@H]1CCC[N@@H+]([C@@H]2CCNC[C@H]2F)[C@H]1C ZINC000685948584 538891347 /nfs/dbraw/zinc/89/13/47/538891347.db2.gz QNQSHILBZRIYJG-WRWGMCAJSA-N 1 0 214.328 1.807 10 0 BDAERO [NH3+][C@]12CCN(C(=O)C3CC3)[C@@H]1CCCC2 ZINC000685949060 538891552 /nfs/dbraw/zinc/89/15/52/538891552.db2.gz JSDRXUXFVUZXOW-ZYHUDNBSSA-N 1 0 208.305 1.269 10 0 BDAERO [NH3+][C@@]12CCN(C(=O)C3CCC3)[C@H]1CCCC2 ZINC000685949168 538892456 /nfs/dbraw/zinc/89/24/56/538892456.db2.gz LCHNAMWUNGJBCI-AAEUAGOBSA-N 1 0 222.332 1.659 10 0 BDAERO CCNC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685949408 538892500 /nfs/dbraw/zinc/89/25/00/538892500.db2.gz RJUMMVYYLCDIJQ-ONGXEEELSA-N 1 0 211.309 1.062 10 0 BDAERO CC(C)C(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685949222 538892639 /nfs/dbraw/zinc/89/26/39/538892639.db2.gz MKCKSYBIIKEMBV-ZYHUDNBSSA-N 1 0 210.321 1.515 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000397737235 357674115 /nfs/dbraw/zinc/67/41/15/357674115.db2.gz UAAKVGKJKGLYJH-GRYCIOLGSA-N 1 0 247.404 1.648 10 0 BDAERO COC[C@@H]1CC[N@@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951403 538895385 /nfs/dbraw/zinc/89/53/85/538895385.db2.gz SQWHUIKGYQMCLR-SDDRHHMPSA-N 1 0 226.364 1.199 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)C1N1[C@H](C)COC[C@@H]1C ZINC000685951718 538895431 /nfs/dbraw/zinc/89/54/31/538895431.db2.gz WEZVPLINQXHYSR-KKOKHZNYSA-N 1 0 226.364 1.340 10 0 BDAERO CCC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000190191392 357690558 /nfs/dbraw/zinc/69/05/58/357690558.db2.gz CFFAHMFMWMSTSA-STQMWFEESA-N 1 0 225.332 1.999 10 0 BDAERO CCC(=O)CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190233750 357696839 /nfs/dbraw/zinc/69/68/39/357696839.db2.gz QHRJHUOMDLMRRL-NWDGAFQWSA-N 1 0 224.348 1.524 10 0 BDAERO CCn1nc(C)c([C@@H](C)[NH2+]CC[C@H](C)O)c1C ZINC000085982866 357707084 /nfs/dbraw/zinc/70/70/84/357707084.db2.gz ZRNKKLOJSGHZQO-VHSXEESVSA-N 1 0 239.363 1.941 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC=C(C)C)C1 ZINC000191493182 357775158 /nfs/dbraw/zinc/77/51/58/357775158.db2.gz OLLVFBXBBAIFGV-LBPRGKRZSA-N 1 0 239.363 1.736 10 0 BDAERO CSCCCCCN[C@@H]1CC[NH2+]C1 ZINC000235171873 357854264 /nfs/dbraw/zinc/85/42/64/357854264.db2.gz XQLMCRHPGHOONJ-SNVBAGLBSA-N 1 0 202.367 1.471 10 0 BDAERO CNC(=O)CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000398465970 357885666 /nfs/dbraw/zinc/88/56/66/357885666.db2.gz UPXATFLCSVLPDV-GFCCVEGCSA-N 1 0 248.326 1.495 10 0 BDAERO Cc1cc(C)n(CC[N@H+]2CC[C@@H](O)C[C@H]2C)n1 ZINC000639938686 357944166 /nfs/dbraw/zinc/94/41/66/357944166.db2.gz IMLCOYODFPDERV-DGCLKSJQSA-N 1 0 237.347 1.345 10 0 BDAERO Cc1noc(CCC[N@H+]2CC[C@@H](O)C[C@H]2C)n1 ZINC000639938949 357945402 /nfs/dbraw/zinc/94/54/02/357945402.db2.gz RTZLKRJKGSCLFS-MWLCHTKSSA-N 1 0 239.319 1.156 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H]1CCC(C)(C)O1 ZINC000639938975 357945903 /nfs/dbraw/zinc/94/59/03/357945903.db2.gz SXUNVYHBIVKMQI-IJLUTSLNSA-N 1 0 227.348 1.789 10 0 BDAERO Cc1cnccc1CC[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639939163 357946139 /nfs/dbraw/zinc/94/61/39/357946139.db2.gz WTUPASOICTXPCY-TZMCWYRMSA-N 1 0 234.343 1.778 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000639940295 357950972 /nfs/dbraw/zinc/95/09/72/357950972.db2.gz VYYGIJIFEWIBHJ-FRRDWIJNSA-N 1 0 226.364 1.316 10 0 BDAERO CC(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168884288 357968665 /nfs/dbraw/zinc/96/86/65/357968665.db2.gz QSMFWQKGGNPMLS-DTWKUNHWSA-N 1 0 200.282 1.343 10 0 BDAERO Cc1nc(NCC2(C[NH3+])CC2)sc1C ZINC000169003710 358009427 /nfs/dbraw/zinc/00/94/27/358009427.db2.gz CGJQRFIPXQCWIN-UHFFFAOYSA-N 1 0 211.334 1.911 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000221678634 358102381 /nfs/dbraw/zinc/10/23/81/358102381.db2.gz LMXSKBIEBGOZMT-FRRDWIJNSA-N 1 0 238.375 1.881 10 0 BDAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134025671 325338536 /nfs/dbraw/zinc/33/85/36/325338536.db2.gz UHMREWFKBTUYQN-GMTAPVOTSA-N 1 0 228.336 1.010 10 0 BDAERO CCCc1cc(N2CC[NH2+]C[C@H]2CC)ncn1 ZINC000104126857 535398710 /nfs/dbraw/zinc/39/87/10/535398710.db2.gz AVVJYEDZQFGBCR-GFCCVEGCSA-N 1 0 234.347 1.617 10 0 BDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC1CC1 ZINC000171663867 134257586 /nfs/dbraw/zinc/25/75/86/134257586.db2.gz TUSHVZSMGNKGMR-CQSZACIVSA-N 1 0 246.354 1.686 10 0 BDAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncnc2[nH]ccc21 ZINC000584781802 358177198 /nfs/dbraw/zinc/17/71/98/358177198.db2.gz QWHFQMRGALLIRN-HTQZYQBOSA-N 1 0 219.292 1.496 10 0 BDAERO O=C(NC1C[NH2+]C1)c1ccccc1Cl ZINC000085255659 134261905 /nfs/dbraw/zinc/26/19/05/134261905.db2.gz IWZONWJSRSBXFA-UHFFFAOYSA-N 1 0 210.664 1.042 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H](C)[C@@H]2C)C1 ZINC000224708158 358236194 /nfs/dbraw/zinc/23/61/94/358236194.db2.gz TYMQOSLRYSFXHX-WRWGMCAJSA-N 1 0 240.347 1.010 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CCCCCC2)C1 ZINC000040631412 358244314 /nfs/dbraw/zinc/24/43/14/358244314.db2.gz ZWIJLSGJFYIENZ-VXGBXAGGSA-N 1 0 240.347 1.202 10 0 BDAERO CC[NH2+][C@@H]1CCc2cc3c(cc2C1)OCO3 ZINC000039310960 358222192 /nfs/dbraw/zinc/22/21/92/358222192.db2.gz YVDOLGGIXPDNCP-LLVKDONJSA-N 1 0 219.284 1.882 10 0 BDAERO CC1(C)OCC([NH3+])(c2ccc(F)cc2)CO1 ZINC000584614664 358279263 /nfs/dbraw/zinc/27/92/63/358279263.db2.gz CBIIZVCYDZUMHD-UHFFFAOYSA-N 1 0 225.263 1.763 10 0 BDAERO Cc1ccc(C2([NH3+])COC(C)(C)OC2)nc1 ZINC000584614860 358279564 /nfs/dbraw/zinc/27/95/64/358279564.db2.gz MLEHOXAPNLIOOM-UHFFFAOYSA-N 1 0 222.288 1.327 10 0 BDAERO C[NH+]1CCC([S@@](=O)c2ccc(N)cc2)CC1 ZINC000584592953 358251106 /nfs/dbraw/zinc/25/11/06/358251106.db2.gz OVTDDGGWZYCFPN-INIZCTEOSA-N 1 0 238.356 1.471 10 0 BDAERO CCn1cc(-c2ccccc2)[n+](CC)n1 ZINC000584615166 358279821 /nfs/dbraw/zinc/27/98/21/358279821.db2.gz SJJVGICJCFEYGO-UHFFFAOYSA-N 1 0 202.281 1.877 10 0 BDAERO CCOC(=O)C[C@@H](CC[NH+](C)C)C(=O)OCC ZINC000584621354 358288482 /nfs/dbraw/zinc/28/84/82/358288482.db2.gz WYSKNYSPRVBLPC-SNVBAGLBSA-N 1 0 245.319 1.071 10 0 BDAERO [NH3+][C@@H]1CCO[C@H](c2ccc3c(c2)OCO3)C1 ZINC000584625199 358293516 /nfs/dbraw/zinc/29/35/16/358293516.db2.gz IMIVHZVGJMSDSC-KOLCDFICSA-N 1 0 221.256 1.594 10 0 BDAERO COc1cccc2c1C[C@@H]1[NH2+]C[C@@H](C)O[C@@H]1C2 ZINC000584625377 358293954 /nfs/dbraw/zinc/29/39/54/358293954.db2.gz BUQXJRALBZGOIJ-LJWDBELGSA-N 1 0 233.311 1.539 10 0 BDAERO CCc1ccc2c(c1)CCN1CC[NH2+]C[C@@H]21 ZINC000584625535 358294293 /nfs/dbraw/zinc/29/42/93/358294293.db2.gz MOJVHPWDFIXTTP-AWEZNQCLSA-N 1 0 216.328 1.751 10 0 BDAERO Cc1ccc(C(=O)N(C)C2C[NH2+]C2)c(C)c1 ZINC000085257548 134270284 /nfs/dbraw/zinc/27/02/84/134270284.db2.gz RCAFYNIYBTUQJE-UHFFFAOYSA-N 1 0 218.300 1.347 10 0 BDAERO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227727 358335946 /nfs/dbraw/zinc/33/59/46/358335946.db2.gz PTDODWRRQPCQQD-IJLUTSLNSA-N 1 0 223.320 1.165 10 0 BDAERO CS[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226236893 358336794 /nfs/dbraw/zinc/33/67/94/358336794.db2.gz MFFVAVOJXVCEAQ-OPRDCNLKSA-N 1 0 203.351 1.631 10 0 BDAERO CN(C(=O)c1ncccc1O)[C@H]1CCC[NH2+]CC1 ZINC000226456763 358340074 /nfs/dbraw/zinc/34/00/74/358340074.db2.gz HSZWBFGOSYJVDW-JTQLQIEISA-N 1 0 249.314 1.001 10 0 BDAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227996 358335392 /nfs/dbraw/zinc/33/53/92/358335392.db2.gz OXFRIYSXWLNRGV-BFHYXJOUSA-N 1 0 242.407 1.856 10 0 BDAERO C[C@H](C[C@H](C)[NH3+])Nc1nnnn1-c1ccccc1 ZINC000228271603 358372122 /nfs/dbraw/zinc/37/21/22/358372122.db2.gz SJLMEPHDNGKGJF-VHSXEESVSA-N 1 0 246.318 1.200 10 0 BDAERO C[C@H]([NH3+])C[C@H](C)Nc1nnnn1-c1ccccc1 ZINC000228271625 358372267 /nfs/dbraw/zinc/37/22/67/358372267.db2.gz SJLMEPHDNGKGJF-UWVGGRQHSA-N 1 0 246.318 1.200 10 0 BDAERO C[C@@]1(C(=O)N[C@@H]2CCSC2)CCCC[NH2+]1 ZINC000227695450 358361085 /nfs/dbraw/zinc/36/10/85/358361085.db2.gz YGIPTKBRECIUPN-KOLCDFICSA-N 1 0 228.361 1.140 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCSC1 ZINC000227897711 358366039 /nfs/dbraw/zinc/36/60/39/358366039.db2.gz XWMDLFZPRSWWTA-MNOVXSKESA-N 1 0 233.377 1.259 10 0 BDAERO C[C@@H]([C@H](O)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000044116384 358403839 /nfs/dbraw/zinc/40/38/39/358403839.db2.gz ABRRXYGIIRNEFU-JSGCOSHPSA-N 1 0 234.343 1.356 10 0 BDAERO Cc1cnc([C@H]([NH3+])Cc2ccccc2)n1C ZINC000074115172 358421521 /nfs/dbraw/zinc/42/15/21/358421521.db2.gz KEILTRTVHYQOKA-GFCCVEGCSA-N 1 0 215.300 1.971 10 0 BDAERO C[N@H+](C[C@@H]1CCCC1=O)C1CCOCC1 ZINC000053927506 358581602 /nfs/dbraw/zinc/58/16/02/358581602.db2.gz CCHABHPGILIPOJ-JTQLQIEISA-N 1 0 211.305 1.466 10 0 BDAERO O=C1CC[C@H]([N@@H+]2CCC[C@H](CCO)C2)C1 ZINC000300229716 358570509 /nfs/dbraw/zinc/57/05/09/358570509.db2.gz YSZWYBISFAJUQC-MNOVXSKESA-N 1 0 211.305 1.202 10 0 BDAERO CO[C@@H]1CCCC[C@@]12[NH2+][C@H](C)CS2 ZINC000300214898 358536297 /nfs/dbraw/zinc/53/62/97/358536297.db2.gz YTJYWRRTIUXASR-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1nccn2nc(C)cc12 ZINC000129910302 358601248 /nfs/dbraw/zinc/60/12/48/358601248.db2.gz MSGNHINPQDFKPH-NSHDSACASA-N 1 0 247.346 1.967 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1nccn2cnnc12 ZINC000130576148 358632368 /nfs/dbraw/zinc/63/23/68/358632368.db2.gz ZKFCAMHHUHYTSV-VIFPVBQESA-N 1 0 234.307 1.054 10 0 BDAERO C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1ccncc1 ZINC000133603393 358761335 /nfs/dbraw/zinc/76/13/35/358761335.db2.gz ZKORWUCRYPISSG-FZMZJTMJSA-N 1 0 247.342 1.791 10 0 BDAERO CCC[C@H]1CN([C@H]2CCSC2)CC[NH2+]1 ZINC000299962727 358723039 /nfs/dbraw/zinc/72/30/39/358723039.db2.gz DGHSFDPIBIZTLQ-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO CO[C@@H]1CCC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000050373990 358724883 /nfs/dbraw/zinc/72/48/83/358724883.db2.gz HDOHTZGYZHKJAM-NWDGAFQWSA-N 1 0 240.347 1.060 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1 ZINC000175979118 134289921 /nfs/dbraw/zinc/28/99/21/134289921.db2.gz BFDIQXHPLRQFGA-UTUOFQBUSA-N 1 0 222.332 1.195 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000135124384 358820995 /nfs/dbraw/zinc/82/09/95/358820995.db2.gz QDXFPKYNFPKOOG-KOLCDFICSA-N 1 0 225.336 1.130 10 0 BDAERO Cc1cc(C[NH2+][C@H](C)CCO)cc(C)c1O ZINC000132521448 491136500 /nfs/dbraw/zinc/13/65/00/491136500.db2.gz JZYDJCIRVGDJEB-LLVKDONJSA-N 1 0 223.316 1.870 10 0 BDAERO C[C@H](CC[NH3+])Nc1ccc(Br)cn1 ZINC000134268226 358784693 /nfs/dbraw/zinc/78/46/93/358784693.db2.gz DXBPNYNYHJXLLW-SSDOTTSWSA-N 1 0 244.136 1.993 10 0 BDAERO CC(C)(C)[NH2+]CCN1CCC[C@@H]1CCCO ZINC000052762717 358793726 /nfs/dbraw/zinc/79/37/26/358793726.db2.gz MODHDUUIMOEIIZ-GFCCVEGCSA-N 1 0 228.380 1.611 10 0 BDAERO CC1CCC(C[NH2+]CCCOCCO)CC1 ZINC000134669209 358801021 /nfs/dbraw/zinc/80/10/21/358801021.db2.gz DOTAHDOPHWYAHP-UHFFFAOYSA-N 1 0 229.364 1.801 10 0 BDAERO CC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000177549532 134299112 /nfs/dbraw/zinc/29/91/12/134299112.db2.gz VUCBXTJXNPFKAS-SNVBAGLBSA-N 1 0 208.305 1.093 10 0 BDAERO CCC[NH+](CCC)CN1C(=O)NC(C)(C)C1=O ZINC000053992630 358960416 /nfs/dbraw/zinc/96/04/16/358960416.db2.gz QBRXYBRCBWHGOR-UHFFFAOYSA-N 1 0 241.335 1.396 10 0 BDAERO C[C@@H]1SCC[C@@H]1N1CC[NH2+][C@H](C)C1 ZINC000300351440 358970508 /nfs/dbraw/zinc/97/05/08/358970508.db2.gz AFKZTQFRNJGTEH-UTLUCORTSA-N 1 0 200.351 1.174 10 0 BDAERO C[NH2+][C@@H]1CCN([C@@H]2CCS[C@H]2C)C1 ZINC000300353964 358971338 /nfs/dbraw/zinc/97/13/38/358971338.db2.gz ZYTKBFURDCHCKB-IVZWLZJFSA-N 1 0 200.351 1.174 10 0 BDAERO 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/nfs/dbraw/zinc/22/20/83/361222083.db2.gz CVUCGQVZAKCCPI-QMMMGPOBSA-N 1 0 200.332 1.742 10 0 BDAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(CCO)C1 ZINC000309757342 491155617 /nfs/dbraw/zinc/15/56/17/491155617.db2.gz HVIVFWPTLLFJCZ-UPJWGTAASA-N 1 0 226.364 1.221 10 0 BDAERO [NH3+]C1(C(=O)c2cccnc2)CCCCC1 ZINC000071508960 181330210 /nfs/dbraw/zinc/33/02/10/181330210.db2.gz OZFNUVMRFJCKSI-UHFFFAOYSA-N 1 0 204.273 1.926 10 0 BDAERO [NH3+]C1(c2cccc(Br)n2)CC1 ZINC000083298051 181333534 /nfs/dbraw/zinc/33/35/34/181333534.db2.gz BAEAFXDAFMBZRR-UHFFFAOYSA-N 1 0 213.078 1.792 10 0 BDAERO CCOc1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000041215217 361464889 /nfs/dbraw/zinc/46/48/89/361464889.db2.gz MJQQNXVZSPTWGJ-LBPRGKRZSA-N 1 0 206.289 1.319 10 0 BDAERO NC(=O)c1cccc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000037999829 361512527 /nfs/dbraw/zinc/51/25/27/361512527.db2.gz RBILUMAOWUABDG-ZDUSSCGKSA-N 1 0 248.326 1.444 10 0 BDAERO [NH3+]C1CC(NC(=O)c2ccc(F)cc2F)C1 ZINC000036237082 181340343 /nfs/dbraw/zinc/34/03/43/181340343.db2.gz AWDQRNBMDADTSD-UHFFFAOYSA-N 1 0 226.226 1.184 10 0 BDAERO [NH3+]C1CC(NC(=O)Nc2cccc(F)c2)C1 ZINC000038076576 181340364 /nfs/dbraw/zinc/34/03/64/181340364.db2.gz VZHGQBDEEZCMCG-UHFFFAOYSA-N 1 0 223.251 1.437 10 0 BDAERO CCn1nc(C)cc1-c1ncc(C[NH3+])s1 ZINC000629742846 361678139 /nfs/dbraw/zinc/67/81/39/361678139.db2.gz DAFMSRLHAOHADC-UHFFFAOYSA-N 1 0 222.317 1.794 10 0 BDAERO c1ccc(SC[C@H]2C[NH2+]CCO2)cc1 ZINC000070649788 361694727 /nfs/dbraw/zinc/69/47/27/361694727.db2.gz BOQUBIQEFLRSNK-SNVBAGLBSA-N 1 0 209.314 1.767 10 0 BDAERO [NH3+]C1CCN(Cc2ccc(Cl)nn2)CC1 ZINC000095072405 181345274 /nfs/dbraw/zinc/34/52/74/181345274.db2.gz BDFCXFNAZACCDE-UHFFFAOYSA-N 1 0 226.711 1.053 10 0 BDAERO CC(C)(C[NH3+])[C@H](O)[C@]1(C)CCCS1 ZINC000306328082 541312901 /nfs/dbraw/zinc/31/29/01/541312901.db2.gz VXSHABXRBPBFRE-WPRPVWTQSA-N 1 0 203.351 1.618 10 0 BDAERO CCCCCC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630363820 364079866 /nfs/dbraw/zinc/07/98/66/364079866.db2.gz RWRIZNRCQFPZTD-WCQYABFASA-N 1 0 242.363 1.531 10 0 BDAERO C[C@H]1CO[C@H](C[NH3+])CN1Cc1ccccc1 ZINC000038673979 364051964 /nfs/dbraw/zinc/05/19/64/364051964.db2.gz SEZNKYANPTZLKD-WCQYABFASA-N 1 0 220.316 1.235 10 0 BDAERO CSc1ccnc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630387003 364101040 /nfs/dbraw/zinc/10/10/40/364101040.db2.gz DEIGIKMKWXTWKE-DTWKUNHWSA-N 1 0 238.360 1.230 10 0 BDAERO Clc1cncc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000725262116 541335226 /nfs/dbraw/zinc/33/52/26/541335226.db2.gz XDVJWSNIHIYJSR-QMMMGPOBSA-N 1 0 211.696 1.672 10 0 BDAERO Oc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1 ZINC000725268983 541338244 /nfs/dbraw/zinc/33/82/44/541338244.db2.gz AFUAIFHMSMSZFS-UONOGXRCSA-N 1 0 233.311 1.907 10 0 BDAERO CCC(C)(C)NC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000725271288 541339662 /nfs/dbraw/zinc/33/96/62/541339662.db2.gz KDILJGNANMUKAJ-MNOVXSKESA-N 1 0 241.379 1.801 10 0 BDAERO CCC[NH2+]Cc1cccc(-c2nc[nH]n2)c1 ZINC000725272962 541340410 /nfs/dbraw/zinc/34/04/10/541340410.db2.gz WFFFUNSUECGYDK-UHFFFAOYSA-N 1 0 216.288 1.971 10 0 BDAERO [NH3+]CC1(C(=O)N2CCCCCC2)CCC1 ZINC000082641469 181357875 /nfs/dbraw/zinc/35/78/75/181357875.db2.gz FYMJPLONXKNQPY-UHFFFAOYSA-N 1 0 210.321 1.518 10 0 BDAERO O[C@H]1C[NH2+]C[C@H]1CNc1nccc2ccccc21 ZINC000630511309 364196420 /nfs/dbraw/zinc/19/64/20/364196420.db2.gz CSZDMUJMSQVIJV-AAEUAGOBSA-N 1 0 243.310 1.227 10 0 BDAERO [NH3+]C1(CNc2ccncc2Cl)CCOCC1 ZINC000630528345 364217651 /nfs/dbraw/zinc/21/76/51/364217651.db2.gz ZPMTVTPVGHHHFV-UHFFFAOYSA-N 1 0 241.722 1.077 10 0 BDAERO Cc1cccc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000630538155 364233377 /nfs/dbraw/zinc/23/33/77/364233377.db2.gz IYDUQDRTVUVUGU-OKILXGFUSA-N 1 0 231.343 1.826 10 0 BDAERO C[C@H]1CN(c2ncnc3ccccc32)C[C@H]1C[NH3+] ZINC000630576165 364274455 /nfs/dbraw/zinc/27/44/55/364274455.db2.gz XDQPMIOYDPWQTA-WDEREUQCSA-N 1 0 242.326 1.661 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1nccc(C(F)(F)F)n1 ZINC000630544424 364238609 /nfs/dbraw/zinc/23/86/09/364238609.db2.gz GMEOHYIRFGCTCP-NKWVEPMBSA-N 1 0 246.236 1.658 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncc(Cl)cn1 ZINC000630547040 364240230 /nfs/dbraw/zinc/24/02/30/364240230.db2.gz YXOGYWWPKIDWEL-POYBYMJQSA-N 1 0 212.684 1.292 10 0 BDAERO [NH3+][C@@H]1CCCCCN(c2cnccn2)C1 ZINC000630549410 364242634 /nfs/dbraw/zinc/24/26/34/364242634.db2.gz NJXXPKHHVZEXKZ-SNVBAGLBSA-N 1 0 206.293 1.184 10 0 BDAERO [NH3+]CC1(NC(=O)C2[C@@H]3CCC[C@H]23)CCCC1 ZINC000132725535 181360852 /nfs/dbraw/zinc/36/08/52/181360852.db2.gz JSVHJHCKWIBEKU-ZACCUICWSA-N 1 0 222.332 1.420 10 0 BDAERO COc1ccnc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630550435 364243629 /nfs/dbraw/zinc/24/36/29/364243629.db2.gz QRKBUCDDPAFUED-SNVBAGLBSA-N 1 0 236.319 1.193 10 0 BDAERO [NH3+][C@H]1CCCCCN(c2ncncc2Cl)C1 ZINC000630549501 364243938 /nfs/dbraw/zinc/24/39/38/364243938.db2.gz OLVYRSSWKRQUET-VIFPVBQESA-N 1 0 240.738 1.838 10 0 BDAERO Cc1cc2c(N3C[C@H](C)[C@H](C[NH3+])C3)nccn2n1 ZINC000630552634 364246429 /nfs/dbraw/zinc/24/64/29/364246429.db2.gz FQARTIUDUVJHAT-GXSJLCMTSA-N 1 0 245.330 1.069 10 0 BDAERO CCCc1nccnc1NC1CC[NH2+]CC1 ZINC000630552441 364246993 /nfs/dbraw/zinc/24/69/93/364246993.db2.gz HPLHXFMSFOJAAP-UHFFFAOYSA-N 1 0 220.320 1.015 10 0 BDAERO C[C@H]1CN(c2ncncc2Cl)C[C@@H]1C[NH3+] ZINC000630552901 364247929 /nfs/dbraw/zinc/24/79/29/364247929.db2.gz HXNBSWQLTAARND-YUMQZZPRSA-N 1 0 226.711 1.161 10 0 BDAERO Cc1cnc(N2C[C@H](C)[C@H](C[NH3+])C2)nc1C ZINC000630554118 364249171 /nfs/dbraw/zinc/24/91/71/364249171.db2.gz OKRHYNTWOORRHH-GXSJLCMTSA-N 1 0 220.320 1.124 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630554990 364252820 /nfs/dbraw/zinc/25/28/20/364252820.db2.gz XUAABQKMNLSTFY-JQWIXIFHSA-N 1 0 248.374 1.939 10 0 BDAERO C[C@@H]1CN(c2ccnc3cccnc32)C[C@@H]1C[NH3+] ZINC000630554828 364253540 /nfs/dbraw/zinc/25/35/40/364253540.db2.gz UDBDTOWNCHUHDL-MNOVXSKESA-N 1 0 242.326 1.661 10 0 BDAERO Cc1ccnc(N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000630570966 364265661 /nfs/dbraw/zinc/26/56/61/364265661.db2.gz NLXVMHZPWSPTPR-WDEREUQCSA-N 1 0 205.305 1.421 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1C ZINC000116466007 370778324 /nfs/dbraw/zinc/77/83/24/370778324.db2.gz XKLDSRDAJRHFIY-NXEZZACHSA-N 1 0 228.336 1.946 10 0 BDAERO C[C@@H]1CN(c2nc3ccccc3[nH]2)C[C@@H]1C[NH3+] ZINC000630575026 364273069 /nfs/dbraw/zinc/27/30/69/364273069.db2.gz WTIYIBPHOVUBCA-ZJUUUORDSA-N 1 0 230.315 1.594 10 0 BDAERO Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)ncn1 ZINC000630533799 364226020 /nfs/dbraw/zinc/22/60/20/364226020.db2.gz RMQADUKMCFGPEL-PSASIEDQSA-N 1 0 206.293 1.337 10 0 BDAERO C[C@H]1CC[C@H](Nc2ncnc3[nH]ccc32)C[NH2+]1 ZINC000630533749 364226356 /nfs/dbraw/zinc/22/63/56/364226356.db2.gz QRZXLCPZJWWANB-IUCAKERBSA-N 1 0 231.303 1.510 10 0 BDAERO Cc1cccc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630534882 364229585 /nfs/dbraw/zinc/22/95/85/364229585.db2.gz QEPPCDHVFYTGKD-ONGXEEELSA-N 1 0 205.305 1.942 10 0 BDAERO C[C@H]1CN(C(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000630582449 364284237 /nfs/dbraw/zinc/28/42/37/364284237.db2.gz SSIYEMLSMCPVTP-QWRGUYRKSA-N 1 0 233.315 1.745 10 0 BDAERO CN(Cc1ccccn1)C(=O)C1CCC([NH3+])CC1 ZINC000037626303 364354203 /nfs/dbraw/zinc/35/42/03/364354203.db2.gz ZMAREHZSFHWGSG-UHFFFAOYSA-N 1 0 247.342 1.558 10 0 BDAERO CCCc1nsc(N[C@H](C)CC[NH3+])n1 ZINC000134271436 364397403 /nfs/dbraw/zinc/39/74/03/364397403.db2.gz TXHFEDDVHVIDFX-SSDOTTSWSA-N 1 0 214.338 1.640 10 0 BDAERO [NH3+]CC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000044512703 181363737 /nfs/dbraw/zinc/36/37/37/181363737.db2.gz SDPHTUMWFZZCAP-UHFFFAOYSA-N 1 0 224.226 1.136 10 0 BDAERO [NH3+]CC1CCN(Cc2ccnc(Cl)n2)CC1 ZINC000095072728 181364833 /nfs/dbraw/zinc/36/48/33/181364833.db2.gz SJKIJPGOQSQBBM-UHFFFAOYSA-N 1 0 240.738 1.301 10 0 BDAERO CCC(CC)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170867004 364545384 /nfs/dbraw/zinc/54/53/84/364545384.db2.gz BSUPLGNPZWBMMW-LLVKDONJSA-N 1 0 212.337 1.585 10 0 BDAERO CC(C)OCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247397038 364622145 /nfs/dbraw/zinc/62/21/45/364622145.db2.gz XWOPTBCRYWAFOF-LBPRGKRZSA-N 1 0 212.337 1.191 10 0 BDAERO O=C(N[C@@H]1C[NH2+]CC12CC2)OCc1ccccc1 ZINC000038339941 364574996 /nfs/dbraw/zinc/57/49/96/364574996.db2.gz JFSOWYUXXPZZSQ-GFCCVEGCSA-N 1 0 246.310 1.665 10 0 BDAERO [NH3+]CCC(=O)Nc1ccc(F)cc1Cl ZINC000020595458 181369145 /nfs/dbraw/zinc/36/91/45/181369145.db2.gz DEUSAZJHJOOPSL-UHFFFAOYSA-N 1 0 216.643 1.766 10 0 BDAERO [NH3+]CCC(=O)Nc1cccc(-c2cnco2)c1 ZINC000037768098 181368791 /nfs/dbraw/zinc/36/87/91/181368791.db2.gz WXXKFCSEYLQODH-UHFFFAOYSA-N 1 0 231.255 1.629 10 0 BDAERO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)sn1 ZINC000399028853 364726751 /nfs/dbraw/zinc/72/67/51/364726751.db2.gz JBLAPJFDCWWPLB-WPRPVWTQSA-N 1 0 242.344 1.402 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000167642931 364802020 /nfs/dbraw/zinc/80/20/20/364802020.db2.gz NOJFBUQAWUUHQO-VHSXEESVSA-N 1 0 203.326 1.408 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000167642713 364802322 /nfs/dbraw/zinc/80/23/22/364802322.db2.gz NOJFBUQAWUUHQO-UWVGGRQHSA-N 1 0 203.326 1.408 10 0 BDAERO COc1cc(C[NH2+][C@H]2CCO[C@@H]2C)sn1 ZINC000399078430 364781814 /nfs/dbraw/zinc/78/18/14/364781814.db2.gz REXWKOFCIKHAOK-APPZFPTMSA-N 1 0 228.317 1.419 10 0 BDAERO CCOC(=O)[C@H]1Cn2cc(C)[nH+]c2N[C@H]1C ZINC000233967366 541395311 /nfs/dbraw/zinc/39/53/11/541395311.db2.gz VDGOLLOSMSEKBR-IUCAKERBSA-N 1 0 223.276 1.185 10 0 BDAERO [NH3+]CCCC(=O)Nc1cccc2n[nH]cc21 ZINC000037769574 181374226 /nfs/dbraw/zinc/37/42/26/181374226.db2.gz OYOSWJIZWPNEGQ-UHFFFAOYSA-N 1 0 218.260 1.240 10 0 BDAERO [NH3+]CCCC(=O)Nc1cccc(-n2cccn2)c1 ZINC000037004088 181373572 /nfs/dbraw/zinc/37/35/72/181373572.db2.gz DSWZJRDGYPUWRR-UHFFFAOYSA-N 1 0 244.298 1.550 10 0 BDAERO CC[C@@H]1C[C@H](CC)[C@@H](C(=O)OC)[C@@H](C)[NH2+]1 ZINC000669385125 541438352 /nfs/dbraw/zinc/43/83/52/541438352.db2.gz ZHWKVBGERQFXSU-YTWAJWBKSA-N 1 0 213.321 1.962 10 0 BDAERO [NH3+]CCCNc1ncnc2sccc21 ZINC000036892189 181383855 /nfs/dbraw/zinc/38/38/55/181383855.db2.gz VSZPIFPHCNLFAJ-UHFFFAOYSA-N 1 0 208.290 1.452 10 0 BDAERO [NH3+]CCCSCC(=O)Nc1ccccc1 ZINC000019953458 181385052 /nfs/dbraw/zinc/38/50/52/181385052.db2.gz LUKDAGHJGJEJBS-UHFFFAOYSA-N 1 0 224.329 1.707 10 0 BDAERO [NH3+]CCC[S@](=O)c1ccccc1Cl ZINC000040954694 181385647 /nfs/dbraw/zinc/38/56/47/181385647.db2.gz KSLAQFVXDVOIOC-CYBMUJFWSA-N 1 0 217.721 1.796 10 0 BDAERO [NH3+]CCC[C@@H]1CCCN1C(=O)c1ccc(O)cc1 ZINC000104311256 181386032 /nfs/dbraw/zinc/38/60/32/181386032.db2.gz ROFZMWUQSDDECY-GFCCVEGCSA-N 1 0 248.326 1.736 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccncc2F)o1 ZINC000083094435 181388182 /nfs/dbraw/zinc/38/81/82/181388182.db2.gz RSBUSDPBLWCAIN-UHFFFAOYSA-N 1 0 222.223 1.162 10 0 BDAERO [NH3+]CCN(c1cccnn1)C1CCCC1 ZINC000053706259 181390741 /nfs/dbraw/zinc/39/07/41/181390741.db2.gz GENPECBBMQLDHG-UHFFFAOYSA-N 1 0 206.293 1.184 10 0 BDAERO [NH3+]CCNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000037921553 181394552 /nfs/dbraw/zinc/39/45/52/181394552.db2.gz ABFALPHNBWHMQU-CHWSQXEVSA-N 1 0 248.326 1.229 10 0 BDAERO [NH3+]CCNC(=O)c1ccc2ccccc2c1O ZINC000019480770 181395712 /nfs/dbraw/zinc/39/57/12/181395712.db2.gz CSMRVRGWMFCCFP-UHFFFAOYSA-N 1 0 230.267 1.234 10 0 BDAERO [NH3+]CCNCc1ccc(O)c(Br)c1 ZINC000062702702 181396825 /nfs/dbraw/zinc/39/68/25/181396825.db2.gz YXGJSPHLGHJLFH-UHFFFAOYSA-N 1 0 245.120 1.203 10 0 BDAERO [NH3+]CCOc1cc(F)ccc1Br ZINC000075880704 181399352 /nfs/dbraw/zinc/39/93/52/181399352.db2.gz ISHHCQZMEQEAHZ-UHFFFAOYSA-N 1 0 234.068 1.926 10 0 BDAERO [NH3+]CCc1cccc(OCC(=O)N2CCCC2)c1 ZINC000037721209 181412370 /nfs/dbraw/zinc/41/23/70/181412370.db2.gz CPNNPLDBBNVKMK-UHFFFAOYSA-N 1 0 248.326 1.189 10 0 BDAERO [NH3+]C[C@@H](O)COc1ccc(Cl)c(F)c1 ZINC000075881026 181421610 /nfs/dbraw/zinc/42/16/10/181421610.db2.gz DJLVQULOPAZHMW-ZCFIWIBFSA-N 1 0 219.643 1.178 10 0 BDAERO [NH3+]C[C@@H](O)COCc1ccccc1Cl ZINC000019281586 181421871 /nfs/dbraw/zinc/42/18/71/181421871.db2.gz SMUZTXHQTSJFMH-SECBINFHSA-N 1 0 215.680 1.176 10 0 BDAERO C[C@H](CO)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253103514 541454043 /nfs/dbraw/zinc/45/40/43/541454043.db2.gz YSWRCDFZRMLYLK-DGAVXFQQSA-N 1 0 241.375 1.630 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)N(c2ccc(Cl)s2)C1 ZINC000077360452 181426603 /nfs/dbraw/zinc/42/66/03/181426603.db2.gz UMBIHUCTOGHGNI-LURJTMIESA-N 1 0 230.720 1.713 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1nc[nH]n1 ZINC000035722926 181428143 /nfs/dbraw/zinc/42/81/43/181428143.db2.gz PDTIAOAGVRUCRF-JGVFFNPUSA-N 1 0 212.322 1.414 10 0 BDAERO O=Cc1ccc(-c2cnn3c2C[NH2+]CC3)cc1F ZINC000675080718 541468061 /nfs/dbraw/zinc/46/80/61/541468061.db2.gz TVHXAXLDFQNMKC-UHFFFAOYSA-N 1 0 245.257 1.605 10 0 BDAERO CC(C)[C@H]1CCNc2nc(CCC[NH3+])nn21 ZINC000232743427 541507033 /nfs/dbraw/zinc/50/70/33/541507033.db2.gz VKSNICFHATUPDB-SECBINFHSA-N 1 0 223.324 1.182 10 0 BDAERO CC(C)c1cc2n(n1)[C@@H]1CC[NH2+]C[C@@H]1CN2 ZINC000232769995 541507886 /nfs/dbraw/zinc/50/78/86/541507886.db2.gz DNDNKHQCXRXZHB-MWLCHTKSSA-N 1 0 220.320 1.583 10 0 BDAERO CCOC(=O)[C@H]1CNc2[nH+]c(C)cn2[C@H]1C ZINC000233692660 541510145 /nfs/dbraw/zinc/51/01/45/541510145.db2.gz KGVIRYGYDVMJJT-IUCAKERBSA-N 1 0 223.276 1.357 10 0 BDAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cscn1 ZINC000580963538 367220660 /nfs/dbraw/zinc/22/06/60/367220660.db2.gz OYOABQFGNRGOPG-LDYMZIIASA-N 1 0 239.344 1.462 10 0 BDAERO OCC[NH+](CCO)C[C@@H]1CCCCC1(F)F ZINC000381547261 367428442 /nfs/dbraw/zinc/42/84/42/367428442.db2.gz TVVUEDYCSCMIJE-JTQLQIEISA-N 1 0 237.290 1.099 10 0 BDAERO Cc1nc(C)c(C[NH2+]C[C@H](O)C(C)(C)C)o1 ZINC000382206531 367498336 /nfs/dbraw/zinc/49/83/36/367498336.db2.gz HKFLOBNIXAWRKO-NSHDSACASA-N 1 0 226.320 1.788 10 0 BDAERO CC1CC(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000381616762 367438813 /nfs/dbraw/zinc/43/88/13/367438813.db2.gz VTVVSSXKZIRFCU-GGWWSXTCSA-N 1 0 210.321 1.241 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000382188198 367496313 /nfs/dbraw/zinc/49/63/13/367496313.db2.gz BZPZIPCWVDPFJS-UMSGYPCISA-N 1 0 209.333 1.926 10 0 BDAERO CC1(C[NH2+]C[C@@H]2CCc3nccn3C2)CC1 ZINC000381763576 367455231 /nfs/dbraw/zinc/45/52/31/367455231.db2.gz UQBNAUVMSIZOHI-NSHDSACASA-N 1 0 219.332 1.835 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccnc3cccnc32)C1 ZINC000382461739 367528321 /nfs/dbraw/zinc/52/83/21/367528321.db2.gz WPYFQKAGTNJMHC-GHMZBOCLSA-N 1 0 242.326 1.591 10 0 BDAERO CCc1ncnc(N[C@H]2CC[C@H](C[NH3+])C2)c1F ZINC000382408755 367517796 /nfs/dbraw/zinc/51/77/96/367517796.db2.gz CKXHJAYQOXSIHO-IUCAKERBSA-N 1 0 238.310 1.717 10 0 BDAERO CN(C)C1(C[NH2+]C[C@H](O)C(C)(C)C)CCCC1 ZINC000383151345 367601203 /nfs/dbraw/zinc/60/12/03/367601203.db2.gz JTNXHMCVOFGTDY-LBPRGKRZSA-N 1 0 242.407 1.857 10 0 BDAERO CC(C)c1cc(N[C@H](CC[NH3+])C(F)F)ncn1 ZINC000383472428 367625976 /nfs/dbraw/zinc/62/59/76/367625976.db2.gz RZGSYWFJHIXCSG-MRVPVSSYSA-N 1 0 244.289 1.994 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000383249833 367609360 /nfs/dbraw/zinc/60/93/60/367609360.db2.gz WFMIGQCHIBWIIL-WISYIIOYSA-N 1 0 224.348 1.761 10 0 BDAERO [NH3+]CC[C@@H](Nc1ncccc1F)C(F)F ZINC000383509346 367631687 /nfs/dbraw/zinc/63/16/87/367631687.db2.gz SAJOTDAXLJVPBG-SSDOTTSWSA-N 1 0 219.210 1.615 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3CC4(CCC4)C3)C[C@@H]12 ZINC000581665568 367665235 /nfs/dbraw/zinc/66/52/35/367665235.db2.gz TVOOLIHRONIHPN-CYZMBNFOSA-N 1 0 248.370 1.762 10 0 BDAERO Cc1nnsc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000384268870 367679987 /nfs/dbraw/zinc/67/99/87/367679987.db2.gz RANWQUABLHVIKD-BDAKNGLRSA-N 1 0 226.349 1.206 10 0 BDAERO CSC[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384555482 367699758 /nfs/dbraw/zinc/69/97/58/367699758.db2.gz OCAWSIQPLKPSDO-GUBZILKMSA-N 1 0 230.377 1.242 10 0 BDAERO CC(C)Oc1cc(N(C)C2CC([NH3+])C2)ncn1 ZINC000384760994 367727607 /nfs/dbraw/zinc/72/76/07/367727607.db2.gz QCXRANZCYSTPNU-UHFFFAOYSA-N 1 0 236.319 1.190 10 0 BDAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384896440 367753402 /nfs/dbraw/zinc/75/34/02/367753402.db2.gz MJDXFEZOGUBRCL-MNOVXSKESA-N 1 0 242.363 1.136 10 0 BDAERO [NH3+]C[C@@H]1CCCN1c1ccnc2cccnc21 ZINC000341014572 181430346 /nfs/dbraw/zinc/43/03/46/181430346.db2.gz KVFAOFVOLPJAEX-JTQLQIEISA-N 1 0 228.299 1.557 10 0 BDAERO CC(C)(CO)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000385894891 367878220 /nfs/dbraw/zinc/87/82/20/367878220.db2.gz NMWATSLQBBCYBW-TUAOUCFPSA-N 1 0 241.375 1.798 10 0 BDAERO C[C@@H]([NH2+]Cc1ccc(CO)o1)[C@H]1CCCO1 ZINC000081574523 370895811 /nfs/dbraw/zinc/89/58/11/370895811.db2.gz YNUVYSHLDXMPFZ-BXKDBHETSA-N 1 0 225.288 1.429 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccc(CO)o2)C1 ZINC000081576221 370895958 /nfs/dbraw/zinc/89/59/58/370895958.db2.gz GZRNIILDLNRGIJ-NSHDSACASA-N 1 0 238.331 1.346 10 0 BDAERO COc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)sn1 ZINC000399221732 367906613 /nfs/dbraw/zinc/90/66/13/367906613.db2.gz YYXMIWWTCWSTGU-BDAKNGLRSA-N 1 0 242.344 1.545 10 0 BDAERO C[C@H](CO)S[C@H]1CCCCC[C@H]1[NH3+] ZINC000252748263 367906709 /nfs/dbraw/zinc/90/67/09/367906709.db2.gz DEUCTOLAGAISGH-BBBLOLIVSA-N 1 0 203.351 1.760 10 0 BDAERO COc1cc(C[NH2+]C[C@@H](O)C(C)(C)C)sn1 ZINC000399237507 367911182 /nfs/dbraw/zinc/91/11/82/367911182.db2.gz CSYRVEKZLKDSPF-SECBINFHSA-N 1 0 244.360 1.648 10 0 BDAERO OC[C@@H]([NH2+][C@@H]1CCn2ccnc21)C1CCCCC1 ZINC000386177017 367924392 /nfs/dbraw/zinc/92/43/92/367924392.db2.gz NYTYXHBAXSGTMG-CHWSQXEVSA-N 1 0 249.358 1.859 10 0 BDAERO CC[C@H]1SCCS[C@H]1C(=[NH2+])NC ZINC000252721487 367894339 /nfs/dbraw/zinc/89/43/39/367894339.db2.gz NUNNOPHTBDGOLB-RNFRBKRXSA-N 1 0 204.364 1.810 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCS1 ZINC000087668356 367963128 /nfs/dbraw/zinc/96/31/28/367963128.db2.gz ABQGSZIOHXCJRS-QWRGUYRKSA-N 1 0 242.388 1.388 10 0 BDAERO Cc1cnc(N[C@@H]2CCC[NH2+][C@@H]2C)nc1C ZINC000386462773 367977085 /nfs/dbraw/zinc/97/70/85/367977085.db2.gz NNRYHWPQUMWHEE-GHMZBOCLSA-N 1 0 220.320 1.646 10 0 BDAERO Cc1cnc(N(C)CC[C@@H]([NH3+])C(C)C)nc1C ZINC000386690132 368009919 /nfs/dbraw/zinc/00/99/19/368009919.db2.gz RODPVPPESDVMQL-GFCCVEGCSA-N 1 0 236.363 1.903 10 0 BDAERO C[C@@H]1CN([C@H](C[NH3+])C(F)(F)F)CCS1 ZINC000252979532 368176211 /nfs/dbraw/zinc/17/62/11/368176211.db2.gz IGDJGOBGCNSZQF-RNFRBKRXSA-N 1 0 228.283 1.313 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCS[C@H](C)C1 ZINC000252979062 368177043 /nfs/dbraw/zinc/17/70/43/368177043.db2.gz FZVAEUSSZXBDGI-RNFRBKRXSA-N 1 0 204.364 1.098 10 0 BDAERO Cc1cc(-c2ccc3nnc(C[NH3+])n3n2)sn1 ZINC000200457662 368354240 /nfs/dbraw/zinc/35/42/40/368354240.db2.gz UNAWKOISGPZZFP-UHFFFAOYSA-N 1 0 246.299 1.015 10 0 BDAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)OC(C)(C)C ZINC000107248996 259534645 /nfs/dbraw/zinc/53/46/45/259534645.db2.gz OMYUWTDLNUMEGX-RKDXNWHRSA-N 1 0 214.309 1.591 10 0 BDAERO CC(C)NC(=[NH2+])N1CCS[C@H](C)[C@H]1C ZINC000253058544 368418486 /nfs/dbraw/zinc/41/84/86/368418486.db2.gz BRGDRWFMMGBESF-RKDXNWHRSA-N 1 0 215.366 1.745 10 0 BDAERO CCC(C)(C)CC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000566743853 326079640 /nfs/dbraw/zinc/07/96/40/326079640.db2.gz YDRHQSQLUHKBIE-OLZOCXBDSA-N 1 0 240.391 1.875 10 0 BDAERO C[C@@H](C[NH3+])CNc1ncnc2ccccc21 ZINC000083387635 368771841 /nfs/dbraw/zinc/77/18/41/368771841.db2.gz PXSZWANNPGMRDH-VIFPVBQESA-N 1 0 216.288 1.637 10 0 BDAERO C[C@H](OC[C@H]([NH3+])CO)c1ccc(F)cc1 ZINC000113977629 368913805 /nfs/dbraw/zinc/91/38/05/368913805.db2.gz WXEUBHBRDICNJJ-GZMMTYOYSA-N 1 0 213.252 1.223 10 0 BDAERO C[C@@H]1CCN[C@]2(CC[NH2+]C[C@H]2C)S1 ZINC000253286727 368913819 /nfs/dbraw/zinc/91/38/19/368913819.db2.gz OVFUFGNETQTYSZ-OPRDCNLKSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncnc2c1CCC2 ZINC000086470996 368881381 /nfs/dbraw/zinc/88/13/81/368881381.db2.gz NEUXMKQWMJIHHR-VHSXEESVSA-N 1 0 232.331 1.152 10 0 BDAERO CC[C@H](C)CN(CC)C(=O)[C@@H](C)[NH2+]C ZINC000086439783 368881459 /nfs/dbraw/zinc/88/14/59/368881459.db2.gz VTTWCWXRQBQFIA-VHSXEESVSA-N 1 0 200.326 1.489 10 0 BDAERO C(c1nc([C@H]2CCCO2)no1)[C@H]1CCC[NH2+]C1 ZINC000087801418 368898117 /nfs/dbraw/zinc/89/81/17/368898117.db2.gz AXLJVPGTIYMFSR-NXEZZACHSA-N 1 0 237.303 1.463 10 0 BDAERO O[C@@H]1C[C@@H]2C[C@H]1[N@H+](Cc1ccccc1)C2 ZINC000084309015 368852074 /nfs/dbraw/zinc/85/20/74/368852074.db2.gz AVUAEJJTHLWQOS-YNEHKIRRSA-N 1 0 203.285 1.642 10 0 BDAERO C[C@@H]1CN(c2ccc(N)cc2F)C[C@@H](C)[NH+]1C ZINC000115109193 368975341 /nfs/dbraw/zinc/97/53/41/368975341.db2.gz ABIICKLBBJTOHC-NXEZZACHSA-N 1 0 237.322 1.937 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623766503 369028667 /nfs/dbraw/zinc/02/86/67/369028667.db2.gz HMZADIVTFUGQGJ-FVCCEPFGSA-N 1 0 227.348 1.552 10 0 BDAERO CC(C)(C)C[NH2+][C@H]1CCc2ncnn2C1 ZINC000105905954 369071469 /nfs/dbraw/zinc/07/14/69/369071469.db2.gz OBZYWNVSBMZUQZ-VIFPVBQESA-N 1 0 208.309 1.229 10 0 BDAERO [NH3+]C[C@H](O)c1ccc(Br)cc1F ZINC000036670208 181451672 /nfs/dbraw/zinc/45/16/72/181451672.db2.gz LGHJBYLZEZHUOW-QMMMGPOBSA-N 1 0 234.068 1.580 10 0 BDAERO [NH3+]CCN1C[C@@H](c2ncc[nH]2)Nc2ccccc21 ZINC000616692691 369115662 /nfs/dbraw/zinc/11/56/62/369115662.db2.gz MIMOYDRXRHJKMW-NSHDSACASA-N 1 0 243.314 1.342 10 0 BDAERO [NH3+]C[C@H]([C@@H]1CCOC1)N1CCc2ccccc21 ZINC000022169219 181452695 /nfs/dbraw/zinc/45/26/95/181452695.db2.gz OWVULBLQNMQJSQ-TZMCWYRMSA-N 1 0 232.327 1.413 10 0 BDAERO [NH3+]C[C@H](O)Cc1ccc(Cl)c(Cl)c1 ZINC000041233699 181450375 /nfs/dbraw/zinc/45/03/75/181450375.db2.gz ZDANVSNROCTBGD-SSDOTTSWSA-N 1 0 220.099 1.856 10 0 BDAERO [NH3+]C[C@H]1COc2c1cc(Cl)cc2F ZINC000075882372 181468165 /nfs/dbraw/zinc/46/81/65/181468165.db2.gz SICIGOQSRLGVMW-YFKPBYRVSA-N 1 0 201.628 1.914 10 0 BDAERO [NH3+]C[C@]1(CO)C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000062721252 181469663 /nfs/dbraw/zinc/46/96/63/181469663.db2.gz MCLFFNMGYAWRIG-CPCISQLKSA-N 1 0 231.217 1.529 10 0 BDAERO CC1SC(CC2CC[NH2+]CC2)=NC1=O ZINC000106865077 369204142 /nfs/dbraw/zinc/20/41/42/369204142.db2.gz JSCFRNJOIUJNAI-UHFFFAOYSA-N 1 0 212.318 1.699 10 0 BDAERO C[C@@H]1C[C@](O)(Cc2cccs2)CC[NH2+]1 ZINC000107151946 369310570 /nfs/dbraw/zinc/31/05/70/369310570.db2.gz OACQHRALIBSTFI-KOLCDFICSA-N 1 0 211.330 1.794 10 0 BDAERO Cc1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc1 ZINC000404277639 369425935 /nfs/dbraw/zinc/42/59/35/369425935.db2.gz SPXGCQHBJMTPBB-CABCVRRESA-N 1 0 246.354 1.558 10 0 BDAERO CCCCCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057790030 369449361 /nfs/dbraw/zinc/44/93/61/369449361.db2.gz CYMSZIJRUNKMLS-LBPRGKRZSA-N 1 0 241.379 1.960 10 0 BDAERO [NH3+]Cc1ccn(-c2cc(F)cc(F)c2)n1 ZINC000082640876 181491222 /nfs/dbraw/zinc/49/12/22/181491222.db2.gz GTDCZFXVMBSWTF-UHFFFAOYSA-N 1 0 209.199 1.609 10 0 BDAERO CC(C)[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C)CC[NH2+]1 ZINC000621156508 370128893 /nfs/dbraw/zinc/12/88/93/370128893.db2.gz BEHBKLSNLIOQEZ-UPJWGTAASA-N 1 0 238.375 1.879 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000309603756 370234699 /nfs/dbraw/zinc/23/46/99/370234699.db2.gz XIPHVDBLODQLKF-GXSJLCMTSA-N 1 0 217.272 1.033 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000076053619 370207903 /nfs/dbraw/zinc/20/79/03/370207903.db2.gz YELSEXBMXHSNRX-RYUDHWBXSA-N 1 0 239.363 1.570 10 0 BDAERO 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BDAERO Cc1cc(CN2CCC[C@H]2C[NH3+])ccn1 ZINC000621774128 370520087 /nfs/dbraw/zinc/52/00/87/370520087.db2.gz LGYGVPDJUZXCKZ-LBPRGKRZSA-N 1 0 205.305 1.313 10 0 BDAERO CCN1CCO[C@H](C[NH2+]Cc2cccs2)C1 ZINC000082491233 371002995 /nfs/dbraw/zinc/00/29/95/371002995.db2.gz NGFTUEBFPGIXBM-LLVKDONJSA-N 1 0 240.372 1.558 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000378670506 371013640 /nfs/dbraw/zinc/01/36/40/371013640.db2.gz JSSMFQFMBRAXJW-YVECIDJPSA-N 1 0 209.333 1.926 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000623764212 371086425 /nfs/dbraw/zinc/08/64/25/371086425.db2.gz AIYPICGVDHZZAC-IUCAKERBSA-N 1 0 231.679 1.172 10 0 BDAERO CC(C)(C)CC[NH2+]C1CCN(CCO)CC1 ZINC000390121604 371187895 /nfs/dbraw/zinc/18/78/95/371187895.db2.gz FZLHPAYUBIVCDC-UHFFFAOYSA-N 1 0 228.380 1.469 10 0 BDAERO [NH3+][C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000157607662 181548539 /nfs/dbraw/zinc/54/85/39/181548539.db2.gz GBDABYVZQXDPLY-RDBSUJKOSA-N 1 0 244.338 1.644 10 0 BDAERO [NH3+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)C1CCC1 ZINC000019842632 181562367 /nfs/dbraw/zinc/56/23/67/181562367.db2.gz URNISWFJLBBROY-LLVKDONJSA-N 1 0 217.272 1.656 10 0 BDAERO [NH3+][C@@H]1CCN(c2ncnc3[nH]cc(Cl)c32)C1 ZINC000053243996 181589522 /nfs/dbraw/zinc/58/95/22/181589522.db2.gz KJNBPCKVXWYSHP-ZCFIWIBFSA-N 1 0 237.694 1.149 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)[C@@H]1CCCCO1 ZINC000624210424 371396990 /nfs/dbraw/zinc/39/69/90/371396990.db2.gz LTXRLIDSCFSQKG-XKGSQUFQSA-N 1 0 213.321 1.305 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccs1 ZINC000624235261 371423025 /nfs/dbraw/zinc/42/30/25/371423025.db2.gz HLFMUBKNFOUPPV-GUBZILKMSA-N 1 0 227.329 1.549 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccc(F)c1 ZINC000624234981 371423225 /nfs/dbraw/zinc/42/32/25/371423225.db2.gz AJDVLBQGYJLAQX-XDTLVQLUSA-N 1 0 239.290 1.626 10 0 BDAERO CCOC1CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000624239027 371427829 /nfs/dbraw/zinc/42/78/29/371427829.db2.gz BOUJFDTWMOFJGM-IFWUJCSASA-N 1 0 243.347 1.074 10 0 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371599420 /nfs/dbraw/zinc/59/94/20/371599420.db2.gz UUMDKUIMVSQQFX-QMMMGPOBSA-N 1 0 241.132 1.996 10 0 BDAERO COc1cccc(Cl)c1[C@@H](O)[C@@H](C)[NH3+] ZINC000162030027 371602567 /nfs/dbraw/zinc/60/25/67/371602567.db2.gz DQTMOJACQPCYDG-LDWIPMOCSA-N 1 0 215.680 1.729 10 0 BDAERO Cc1nc(CCNC2=[NH+]CCS2)cs1 ZINC000226436056 371667850 /nfs/dbraw/zinc/66/78/50/371667850.db2.gz VFCZYHKCJPHSHR-UHFFFAOYSA-N 1 0 227.358 1.686 10 0 BDAERO O=C1c2ccccc2C(=O)N1[C@@H]1CCC[NH2+]CC1 ZINC000226482474 371676893 /nfs/dbraw/zinc/67/68/93/371676893.db2.gz DZLKWVVOSZVXKR-SNVBAGLBSA-N 1 0 244.294 1.425 10 0 BDAERO c1ccc2c(c1)ccnc2[C@H]1C[NH2+]CCO1 ZINC000215732681 371622070 /nfs/dbraw/zinc/62/20/70/371622070.db2.gz BJWQYCFKXKENBW-GFCCVEGCSA-N 1 0 214.268 1.896 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Cc1ccsc1 ZINC000226486517 371678408 /nfs/dbraw/zinc/67/84/08/371678408.db2.gz HZTYRSPZDWYKPO-UWVGGRQHSA-N 1 0 209.314 1.987 10 0 BDAERO C[C@H]1CN(Cc2ccccc2)C[C@@H](C[NH3+])O1 ZINC000230068335 371647488 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/nfs/dbraw/zinc/87/53/44/371875344.db2.gz DWNBIXVWBFQVFR-IWSPIJDZSA-N 1 0 203.351 1.616 10 0 BDAERO C[C@@H]1C[NH2+][C@H](C2CC2)[C@@H](C)[S@@](=O)C1 ZINC000227571141 371897038 /nfs/dbraw/zinc/89/70/38/371897038.db2.gz WDEOEMJSSUIGLF-QKBQYUARSA-N 1 0 201.335 1.142 10 0 BDAERO [NH3+][C@@H]1CN(c2ccc(Cl)cc2F)C1=O ZINC000227620152 371905976 /nfs/dbraw/zinc/90/59/76/371905976.db2.gz HINMGCREEYKMDQ-SSDOTTSWSA-N 1 0 214.627 1.153 10 0 BDAERO [NH3+][C@H]1CN(c2ccc(Cl)c(F)c2)C1=O ZINC000227622930 371907015 /nfs/dbraw/zinc/90/70/15/371907015.db2.gz BKXZYYMSTPOWBX-QMMMGPOBSA-N 1 0 214.627 1.153 10 0 BDAERO CC[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000227670308 371918234 /nfs/dbraw/zinc/91/82/34/371918234.db2.gz SFRLPROYUSUCGX-VIFPVBQESA-N 1 0 216.325 1.899 10 0 BDAERO CCC[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000227678839 371919676 /nfs/dbraw/zinc/91/96/76/371919676.db2.gz DGJFUAYQGBVPJT-SECBINFHSA-N 1 0 216.325 1.899 10 0 BDAERO CC[C@@H]1CN(C2(C[NH3+])CCC2)CCS1 ZINC000132960490 371957913 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/nfs/dbraw/zinc/02/63/15/372026315.db2.gz NHBFTVLLSZDVJM-MLUIRONXSA-N 1 0 248.095 1.969 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1ccc(F)cc1Br ZINC000217908034 372026747 /nfs/dbraw/zinc/02/67/47/372026747.db2.gz YVYKTMVEOJKLKO-MLUIRONXSA-N 1 0 248.095 1.969 10 0 BDAERO CNC(=[NH2+])c1ncccc1Br ZINC000133374003 372032190 /nfs/dbraw/zinc/03/21/90/372032190.db2.gz DQSYUFXEZHJOFU-UHFFFAOYSA-N 1 0 214.066 1.389 10 0 BDAERO O[C@@H]1CCN(Cc2coc(Br)c2)C1 ZINC000306291892 372007530 /nfs/dbraw/zinc/00/75/30/372007530.db2.gz ULCIJNQDKLNPLF-MRVPVSSYSA-N 1 0 246.104 1.609 10 0 BDAERO [NH3+]C[C@H](O)Cc1cccc(Cl)c1F ZINC000228255797 372009455 /nfs/dbraw/zinc/00/94/55/372009455.db2.gz UHLKOWPQEIPCSH-SSDOTTSWSA-N 1 0 203.644 1.341 10 0 BDAERO [NH3+]C[C@H](O)COc1ccc(O)c2ccccc12 ZINC000218409503 372107437 /nfs/dbraw/zinc/10/74/37/372107437.db2.gz FTVUZIKELXLZKX-VIFPVBQESA-N 1 0 233.267 1.244 10 0 BDAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC#N ZINC000306881887 372074471 /nfs/dbraw/zinc/07/44/71/372074471.db2.gz MOOPPRGUHTUCTJ-AAEUAGOBSA-N 1 0 215.300 1.578 10 0 BDAERO C[NH2+][C@@H]1CSC[C@@H]1C[C@@H]1CC[C@@H](C)O1 ZINC000232015880 372089344 /nfs/dbraw/zinc/08/93/44/372089344.db2.gz VPGBLFJNVHEYHU-VPOLOUISSA-N 1 0 215.362 1.895 10 0 BDAERO COC(=O)[C@]1([NH3+])CCC[C@@H]1C(F)(F)F ZINC000606301902 372091879 /nfs/dbraw/zinc/09/18/79/372091879.db2.gz NNJNZLDSKFTZQJ-FSPLSTOPSA-N 1 0 211.183 1.219 10 0 BDAERO C[NH2+][C@H](CO)c1cc(F)ccc1Br ZINC000229297251 372137613 /nfs/dbraw/zinc/13/76/13/372137613.db2.gz FAHDLJLEORKEKO-SECBINFHSA-N 1 0 248.095 1.841 10 0 BDAERO CO[C@H](C)[C@@](C)([NH3+])c1nc(C)c(C)s1 ZINC000229409396 372149926 /nfs/dbraw/zinc/14/99/26/372149926.db2.gz IFJLZTKTVHQCBL-PSASIEDQSA-N 1 0 214.334 1.969 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@]12NC(C)(C)CS2 ZINC000229565717 372165544 /nfs/dbraw/zinc/16/55/44/372165544.db2.gz PSTQFPVZQSBAAI-WPRPVWTQSA-N 1 0 200.351 1.427 10 0 BDAERO Cc1nnc(N2CC[C@@H]([NH3+])C2(C)C)s1 ZINC000307486473 372125138 /nfs/dbraw/zinc/12/51/38/372125138.db2.gz BBLRNYZHJBNACD-SSDOTTSWSA-N 1 0 212.322 1.163 10 0 BDAERO Cc1nccnc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000631823428 372600286 /nfs/dbraw/zinc/60/02/86/372600286.db2.gz DKSYLYMKQWQCBO-LBPRGKRZSA-N 1 0 234.347 1.359 10 0 BDAERO Cc1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631838072 372622560 /nfs/dbraw/zinc/62/25/60/372622560.db2.gz ZSTCOJOJHVNIGY-WPRPVWTQSA-N 1 0 209.293 1.010 10 0 BDAERO C[C@@H]1CN(Cc2nccs2)C[C@@H]1C[NH3+] ZINC000631838515 372631057 /nfs/dbraw/zinc/63/10/57/372631057.db2.gz PTHIOVDHWJHJEV-BDAKNGLRSA-N 1 0 211.334 1.170 10 0 BDAERO O=C(C[NH2+]C1CCCC1)NCCc1ccncc1 ZINC000048262289 181977320 /nfs/dbraw/zinc/97/73/20/181977320.db2.gz YPGIYMOWUVGVBD-UHFFFAOYSA-N 1 0 247.342 1.273 10 0 BDAERO O=C(C[NH2+]CC1CCCC1)N1CCCCC1 ZINC000037258517 181977391 /nfs/dbraw/zinc/97/73/91/181977391.db2.gz OHGBBDVCCDTRSS-UHFFFAOYSA-N 1 0 224.348 1.779 10 0 BDAERO O=C(COC[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000095072875 181998155 /nfs/dbraw/zinc/99/81/55/181998155.db2.gz WJGAQXFCMVUESO-JTQLQIEISA-N 1 0 220.272 1.033 10 0 BDAERO O=C(COC[C@H]1CCC[NH2+]1)c1cccs1 ZINC000095072874 181998492 /nfs/dbraw/zinc/99/84/92/181998492.db2.gz QOTVTMOPHHLOFN-SECBINFHSA-N 1 0 225.313 1.699 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCCSCC1 ZINC000054308917 182018767 /nfs/dbraw/zinc/01/87/67/182018767.db2.gz KZXUKADBMSJYQO-NSHDSACASA-N 1 0 242.388 1.342 10 0 BDAERO O=C(C[C@@H]1CC[NH2+]C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000129422735 182021119 /nfs/dbraw/zinc/02/11/19/182021119.db2.gz VPSQNKNJSSGMAT-RWMBFGLXSA-N 1 0 236.359 1.635 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1COc2ccccc21 ZINC000070530709 182028307 /nfs/dbraw/zinc/02/83/07/182028307.db2.gz DBNKKIDCYNBBOH-ZYHUDNBSSA-N 1 0 246.310 1.378 10 0 BDAERO CCCCN1C[C@H](C[NH2+]C(C)C)CC1=O ZINC000077305094 168835067 /nfs/dbraw/zinc/83/50/67/168835067.db2.gz LKWDQABYVCNJJK-NSHDSACASA-N 1 0 212.337 1.633 10 0 BDAERO C[C@@H]([NH3+])[C@@](O)(c1ccco1)C(F)(F)F ZINC000068978586 373099632 /nfs/dbraw/zinc/09/96/32/373099632.db2.gz AMCIGFFIMDTFGL-IYSWYEEDSA-N 1 0 209.167 1.377 10 0 BDAERO CCCn1ccnc1C[NH2+]CCCOCC ZINC000022862259 205462052 /nfs/dbraw/zinc/46/20/52/205462052.db2.gz ARAAXDRMUWSEES-UHFFFAOYSA-N 1 0 225.336 1.809 10 0 BDAERO CC1CC(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000632863293 373196821 /nfs/dbraw/zinc/19/68/21/373196821.db2.gz ZBARPVSKJJLGPT-KPFVRQRISA-N 1 0 236.359 1.633 10 0 BDAERO O=C(NC1CCCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000062112215 182114903 /nfs/dbraw/zinc/11/49/03/182114903.db2.gz CIMLPIRSLPFTQI-LLVKDONJSA-N 1 0 224.348 1.825 10 0 BDAERO CCOC(=O)N1CCC(CC[NH3+])CC1 ZINC000069729858 373660879 /nfs/dbraw/zinc/66/08/79/373660879.db2.gz XRLXEFDRVSIDQV-UHFFFAOYSA-N 1 0 200.282 1.204 10 0 BDAERO O[C@H](c1ccc(Br)o1)[C@H]1CCC[NH2+]1 ZINC000069843146 373874780 /nfs/dbraw/zinc/87/47/80/373874780.db2.gz IBRIKVCVKVHCAY-MUWHJKNJSA-N 1 0 246.104 1.828 10 0 BDAERO CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000142748766 373934251 /nfs/dbraw/zinc/93/42/51/373934251.db2.gz WXQMQAMXMZTBAB-NXEZZACHSA-N 1 0 244.335 1.217 10 0 BDAERO 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/nfs/dbraw/zinc/28/06/51/183280651.db2.gz XFVSCQRPRNFUPL-UHFFFAOYSA-N 1 0 205.257 1.406 10 0 BDAERO Oc1cc(O)c2c(c1)[C@@H]1CCC[NH2+][C@H]1CC2 ZINC000006091307 183262118 /nfs/dbraw/zinc/26/21/18/183262118.db2.gz RTZCGMQBIRBCHE-CABZTGNLSA-N 1 0 219.284 1.880 10 0 BDAERO Oc1cccnc1OC[C@H]1CCC[NH2+]C1 ZINC000095073847 183305791 /nfs/dbraw/zinc/30/57/91/183305791.db2.gz IYPVFJQKPPJOOB-VIFPVBQESA-N 1 0 208.261 1.166 10 0 BDAERO Oc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000037165472 183290770 /nfs/dbraw/zinc/29/07/70/183290770.db2.gz DMRCAWBVHGWYHQ-AAEUAGOBSA-N 1 0 221.300 1.785 10 0 BDAERO CCCN(CC[NH3+])Cc1cccc(OC)c1 ZINC000032014351 169157240 /nfs/dbraw/zinc/15/72/40/169157240.db2.gz MUZLABVTSAVEDI-UHFFFAOYSA-N 1 0 222.332 1.866 10 0 BDAERO Oc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000084231613 183291789 /nfs/dbraw/zinc/29/17/89/183291789.db2.gz LYDSWXANZBQPQP-AAEUAGOBSA-N 1 0 221.300 1.643 10 0 BDAERO Oc1cccc2c1C[C@]1(C[NH+]=CN1)CC2 ZINC000013743728 183296652 /nfs/dbraw/zinc/29/66/52/183296652.db2.gz ZQSVWALFZOAAON-LBPRGKRZSA-N 1 0 202.257 1.251 10 0 BDAERO CCC[N@H+](Cc1cccc(N)c1)[C@H](C)C(N)=O ZINC000035365049 169177670 /nfs/dbraw/zinc/17/76/70/169177670.db2.gz AVBUYIYYTYXAET-SNVBAGLBSA-N 1 0 235.331 1.355 10 0 BDAERO Oc1cccnc1OCC[C@H]1CCCC[NH2+]1 ZINC000095073852 183305072 /nfs/dbraw/zinc/30/50/72/183305072.db2.gz QZCGMWMCIIEXQV-SNVBAGLBSA-N 1 0 222.288 1.698 10 0 BDAERO c1c(C[NH2+][C@H]2CCOC2)nc2n1CCCC2 ZINC000268081904 183321208 /nfs/dbraw/zinc/32/12/08/183321208.db2.gz GPXZYVALQBVSOU-JTQLQIEISA-N 1 0 221.304 1.098 10 0 BDAERO c1c[nH]c(C[NH2+]C[C@H]2CC23CCOCC3)n1 ZINC000309313251 183325993 /nfs/dbraw/zinc/32/59/93/183325993.db2.gz CKRLQFDRMJLBKW-SNVBAGLBSA-N 1 0 221.304 1.316 10 0 BDAERO CCC[N@@H+]1CCCN(c2nccc(C)n2)CC1 ZINC000301282964 169195430 /nfs/dbraw/zinc/19/54/30/169195430.db2.gz PGIUWPCKEDDDHR-UHFFFAOYSA-N 1 0 234.347 1.707 10 0 BDAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)NCC(=O)OC)C1 ZINC000037208780 169198187 /nfs/dbraw/zinc/19/81/87/169198187.db2.gz LQTVIRYNFDHCMR-NEPJUHHUSA-N 1 0 242.363 1.260 10 0 BDAERO CCC[N@@H+]1CCC[C@@]2(C1)c1cccnc1NC2=O ZINC000033994656 169202214 /nfs/dbraw/zinc/20/22/14/169202214.db2.gz GDMGTAXJEXAFGT-CQSZACIVSA-N 1 0 245.326 1.777 10 0 BDAERO CCCN1CC[NH+](C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070578419 169203680 /nfs/dbraw/zinc/20/36/80/169203680.db2.gz TZVUIZKMZRKXEH-KBPBESRZSA-N 1 0 239.407 1.532 10 0 BDAERO c1cc(CC[NH2+][C@H]2CCN(C3CC3)C2)ccn1 ZINC000044722270 183338576 /nfs/dbraw/zinc/33/85/76/183338576.db2.gz MIPSZANEOSNRQG-ZDUSSCGKSA-N 1 0 231.343 1.450 10 0 BDAERO c1cc(CC[NH2+]CCc2ccncc2)ccn1 ZINC000001596479 183338789 /nfs/dbraw/zinc/33/87/89/183338789.db2.gz FQYBFSCQCRQBPT-UHFFFAOYSA-N 1 0 227.311 1.851 10 0 BDAERO CCCNC(=O)C[NH2+]C[C@H](C)CCC ZINC000036780765 169226447 /nfs/dbraw/zinc/22/64/47/169226447.db2.gz RHQJEJZKDSVKOE-SNVBAGLBSA-N 1 0 200.326 1.538 10 0 BDAERO CCCNC(=O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309443051 169226898 /nfs/dbraw/zinc/22/68/98/169226898.db2.gz IZWJVMBEXDUUEB-WDEREUQCSA-N 1 0 230.327 1.631 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1ccccc1 ZINC000057501847 169232475 /nfs/dbraw/zinc/23/24/75/169232475.db2.gz FTHIKKRWHVKKQP-LBPRGKRZSA-N 1 0 220.316 1.645 10 0 BDAERO CCC[N@@H+]1CCc2nnc(NCC)cc2C1 ZINC000054931137 169208348 /nfs/dbraw/zinc/20/83/48/169208348.db2.gz OTRDYZNFLRFMHJ-UHFFFAOYSA-N 1 0 220.320 1.677 10 0 BDAERO c1cc(Cc2nc([C@H]3CCC[NH2+]3)no2)ccn1 ZINC000071396597 183354531 /nfs/dbraw/zinc/35/45/31/183354531.db2.gz MIWNCZXLOBJFBG-SNVBAGLBSA-N 1 0 230.271 1.480 10 0 BDAERO c1cc(C[C@@H]2CCC[NH2+]C2)nc(NC2CC2)n1 ZINC000066346614 183355442 /nfs/dbraw/zinc/35/54/42/183355442.db2.gz KZXACLVCDMAAOJ-JTQLQIEISA-N 1 0 232.331 1.593 10 0 BDAERO c1cc(Cc2noc([C@@H]3CCC[NH2+]C3)n2)ccn1 ZINC000053129652 183356163 /nfs/dbraw/zinc/35/61/63/183356163.db2.gz XVICZBKZSJRQGG-LLVKDONJSA-N 1 0 244.298 1.522 10 0 BDAERO CCCNC1(C(=O)OC)CC[NH+](CCC)CC1 ZINC000037459149 169253979 /nfs/dbraw/zinc/25/39/79/169253979.db2.gz ILVWLMRNPQBOQQ-UHFFFAOYSA-N 1 0 242.363 1.404 10 0 BDAERO CCCNC1(C(=O)OC)CC[NH+](C(C)C)CC1 ZINC000037459176 169255127 /nfs/dbraw/zinc/25/51/27/169255127.db2.gz AMFPNXLOFFGFDT-UHFFFAOYSA-N 1 0 242.363 1.402 10 0 BDAERO CCC[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000020056572 169255211 /nfs/dbraw/zinc/25/52/11/169255211.db2.gz HMQLNZLOPGAFIF-UHFFFAOYSA-N 1 0 210.252 1.764 10 0 BDAERO CCC[NH2+]CC(=O)c1ccc(OC)cc1 ZINC000041613031 169256151 /nfs/dbraw/zinc/25/61/51/169256151.db2.gz XZJIUPRXRULDEL-UHFFFAOYSA-N 1 0 207.273 1.878 10 0 BDAERO CCC[NH2+]CCC(=O)c1cccc(N)c1 ZINC000098123877 169256469 /nfs/dbraw/zinc/25/64/69/169256469.db2.gz YDWUMHUEZNOUJS-UHFFFAOYSA-N 1 0 206.289 1.841 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000032014427 169262076 /nfs/dbraw/zinc/26/20/76/169262076.db2.gz NVFWAWHMEPVFOR-SNVBAGLBSA-N 1 0 223.272 1.448 10 0 BDAERO CCCNC(=O)Nc1cc(C[NH3+])ccc1C ZINC000050430790 169239316 /nfs/dbraw/zinc/23/93/16/169239316.db2.gz DHBNJBHVYGMIQV-UHFFFAOYSA-N 1 0 221.304 1.985 10 0 BDAERO c1cc2n(c1)CC[NH2+][C@@H]2c1ccc2c(c1)OCO2 ZINC000032500408 183376909 /nfs/dbraw/zinc/37/69/09/183376909.db2.gz MHZSZENHTUFBCW-CQSZACIVSA-N 1 0 242.278 1.909 10 0 BDAERO CCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020305604 169241965 /nfs/dbraw/zinc/24/19/65/169241965.db2.gz DJBMTNZFXVULSV-SNVBAGLBSA-N 1 0 238.306 1.830 10 0 BDAERO CCCNC(=O)[C@@H](C[NH3+])Cc1ccccc1F ZINC000050304139 169243368 /nfs/dbraw/zinc/24/33/68/169243368.db2.gz VCNPUCPRVIMOGY-LLVKDONJSA-N 1 0 238.306 1.469 10 0 BDAERO c1ccc(-c2nc([C@H]3CCCCN3)no2)nc1 ZINC000040443333 183383589 /nfs/dbraw/zinc/38/35/89/183383589.db2.gz PEWZWUHKGMLNSJ-SECBINFHSA-N 1 0 230.271 1.946 10 0 BDAERO c1ccc(-c2ncc3c(n2)CC[NH2+]CC3)cc1 ZINC000071405045 183383651 /nfs/dbraw/zinc/38/36/51/183383651.db2.gz AQSSQHFSXCFKDE-UHFFFAOYSA-N 1 0 225.295 1.832 10 0 BDAERO c1ccc(-c2nnc([C@@H]3CCC[NH2+]3)o2)nc1 ZINC000032013097 183384396 /nfs/dbraw/zinc/38/43/96/183384396.db2.gz NGCCGLAQZNQVOS-VIFPVBQESA-N 1 0 216.244 1.556 10 0 BDAERO CCC[NH2+][C@H](C(N)=O)c1cc(F)c(F)c(F)c1 ZINC000062712581 169284958 /nfs/dbraw/zinc/28/49/58/169284958.db2.gz YGGVABDJCSZJOB-JTQLQIEISA-N 1 0 246.232 1.630 10 0 BDAERO CCC[NH2+][C@H](C(N)=O)c1cccc(OCC)c1 ZINC000037870910 169285079 /nfs/dbraw/zinc/28/50/79/169285079.db2.gz UVZUYCZXRPJTMW-LBPRGKRZSA-N 1 0 236.315 1.611 10 0 BDAERO c1ccc(C2=NO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000073196456 183389188 /nfs/dbraw/zinc/38/91/88/183389188.db2.gz NIXCXDZREWBDDN-ZDUSSCGKSA-N 1 0 216.284 1.933 10 0 BDAERO CCCN[C@H](CC[NH+]1CCCC1)C(=O)OCC ZINC000062439881 169289425 /nfs/dbraw/zinc/28/94/25/169289425.db2.gz GVPLSSHTMNDSPD-GFCCVEGCSA-N 1 0 242.363 1.404 10 0 BDAERO CCC[NH2+]C[C@@](C)(O)c1ccc(OC)cc1 ZINC000032014574 169263651 /nfs/dbraw/zinc/26/36/51/169263651.db2.gz VLODHZMHHLMBKB-CYBMUJFWSA-N 1 0 223.316 1.902 10 0 BDAERO CCC[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000055028322 169263741 /nfs/dbraw/zinc/26/37/41/169263741.db2.gz HHNZVDSMBVJKJR-ZDUSSCGKSA-N 1 0 205.301 1.820 10 0 BDAERO CCC[NH2+]C[C@]1(C[C@@H]2CCCO2)CCOC1 ZINC000054664743 169264528 /nfs/dbraw/zinc/26/45/28/169264528.db2.gz VPGJKFOWKPTNIA-QWHCGFSZSA-N 1 0 227.348 1.962 10 0 BDAERO CCC[NH2+]C[C@H]1CC12CCS(=O)(=O)CC2 ZINC000054593642 169264748 /nfs/dbraw/zinc/26/47/48/169264748.db2.gz GSJRNEZDHIECHW-SNVBAGLBSA-N 1 0 231.361 1.201 10 0 BDAERO CCC[NH2+]C[C@H]1CCCCN1Cc1ncccn1 ZINC000054460358 169265001 /nfs/dbraw/zinc/26/50/01/169265001.db2.gz ULSLZDSJXOAQHL-CYBMUJFWSA-N 1 0 248.374 1.831 10 0 BDAERO CCC[NH2+]Cc1cccnc1N(C)CCOC ZINC000051519488 169267649 /nfs/dbraw/zinc/26/76/49/169267649.db2.gz RDUCYQWHXLPNOP-UHFFFAOYSA-N 1 0 237.347 1.664 10 0 BDAERO CCC[NH2+]Cc1cnn(-c2ccc(OC)cc2)n1 ZINC000062986804 169268777 /nfs/dbraw/zinc/26/87/77/169268777.db2.gz OUADXQMEXFBMIR-UHFFFAOYSA-N 1 0 246.314 1.776 10 0 BDAERO CCC[NH2+]Cc1cnn([C@@H]2CCC[C@H]2O)c1C ZINC000054599561 169269033 /nfs/dbraw/zinc/26/90/33/169269033.db2.gz AHRQSIXIZPFRRY-CHWSQXEVSA-N 1 0 237.347 1.777 10 0 BDAERO c1ccc(C[NH+]2CCC3(CC2)COCCN3)cc1 ZINC000096964690 183396381 /nfs/dbraw/zinc/39/63/81/183396381.db2.gz CKGGHZHNOGPIHH-UHFFFAOYSA-N 1 0 246.354 1.641 10 0 BDAERO CCC[NH2+][C@@H](C)c1c(C)nc(C)[nH]c1=O ZINC000037484059 169275677 /nfs/dbraw/zinc/27/56/77/169275677.db2.gz MGOWFEJWVSPPBV-ZETCQYMHSA-N 1 0 209.293 1.447 10 0 BDAERO CCCN[C@@H](CC[NH+]1CCCC1)C(=O)OCC ZINC000062439880 169278405 /nfs/dbraw/zinc/27/84/05/169278405.db2.gz GVPLSSHTMNDSPD-LBPRGKRZSA-N 1 0 242.363 1.404 10 0 BDAERO CCC[NH2+][C@@H](c1cccnc1)c1cncnc1 ZINC000052887091 169280616 /nfs/dbraw/zinc/28/06/16/169280616.db2.gz SUZDXFMIHKPGAG-ZDUSSCGKSA-N 1 0 228.299 1.961 10 0 BDAERO CCC[NH2+][C@@H]1CCN(C[C@H]2CCCCO2)C1=O ZINC000042821727 169281679 /nfs/dbraw/zinc/28/16/79/169281679.db2.gz MTUVYKFCZXGULO-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO CCC[NH2+][C@@H]1CCCCC[C@H]1S(C)(=O)=O ZINC000054930520 169282235 /nfs/dbraw/zinc/28/22/35/169282235.db2.gz GUJTXQPBQCTQOS-GHMZBOCLSA-N 1 0 233.377 1.732 10 0 BDAERO CCCOC(=O)c1ccc2c(c1N)CC[N@@H+](C)C2 ZINC000050225688 169301334 /nfs/dbraw/zinc/30/13/34/169301334.db2.gz XDJSXJCGDMWBQI-UHFFFAOYSA-N 1 0 248.326 1.824 10 0 BDAERO CCCOC[C@@H](O)COc1ccccc1C[NH3+] ZINC000035728173 169309451 /nfs/dbraw/zinc/30/94/51/169309451.db2.gz JHRZILBVTIJZHI-GFCCVEGCSA-N 1 0 239.315 1.312 10 0 BDAERO CCCOCCO[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000104245953 169309715 /nfs/dbraw/zinc/30/97/15/169309715.db2.gz UTOHREITZQRGER-DGCLKSJQSA-N 1 0 238.331 1.913 10 0 BDAERO CCCOCc1nc2c(s1)C[NH2+]CC2 ZINC000053335730 169311045 /nfs/dbraw/zinc/31/10/45/169311045.db2.gz LLZRNTWDWUDFMY-UHFFFAOYSA-N 1 0 212.318 1.715 10 0 BDAERO CCC[NH2+][C@H](c1cccnc1)c1cnccn1 ZINC000037762107 169290807 /nfs/dbraw/zinc/29/08/07/169290807.db2.gz MXAHOMFBDIIMFE-CYBMUJFWSA-N 1 0 228.299 1.961 10 0 BDAERO c1ccc2nc(OC[C@H]3CCC[NH2+]3)cnc2c1 ZINC000052018266 183458725 /nfs/dbraw/zinc/45/87/25/183458725.db2.gz JDURXURVKDHQBB-SNVBAGLBSA-N 1 0 229.283 1.761 10 0 BDAERO CCCOc1ccc(S(=O)(=O)CC[NH3+])cc1 ZINC000098126719 169321179 /nfs/dbraw/zinc/32/11/79/169321179.db2.gz QAUVLTCADICDCR-UHFFFAOYSA-N 1 0 243.328 1.208 10 0 BDAERO CCCOc1ccc([C@H]([NH2+]C)C(=O)NC)cc1 ZINC000098126144 169322508 /nfs/dbraw/zinc/32/25/08/169322508.db2.gz DNWGNYFYRAFAMP-LBPRGKRZSA-N 1 0 236.315 1.482 10 0 BDAERO CCCS(=O)(=O)N(CC[NH3+])c1ccccc1 ZINC000020234559 169330671 /nfs/dbraw/zinc/33/06/71/169330671.db2.gz VGKWNZVUGNCXPM-UHFFFAOYSA-N 1 0 242.344 1.192 10 0 BDAERO CCCS(=O)(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000022170426 169333975 /nfs/dbraw/zinc/33/39/75/169333975.db2.gz CFHUCJIHDUUQOO-SECBINFHSA-N 1 0 242.344 1.858 10 0 BDAERO CCCS(=O)(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000022170429 169334062 /nfs/dbraw/zinc/33/40/62/169334062.db2.gz CFHUCJIHDUUQOO-VIFPVBQESA-N 1 0 242.344 1.858 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+][C@H]1CCCSC1)C2 ZINC000367821053 183474185 /nfs/dbraw/zinc/47/41/85/183474185.db2.gz MSEIXDNUCQUKEK-MNOVXSKESA-N 1 0 237.372 1.683 10 0 BDAERO CCC[C@@H](C)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000085790097 169360084 /nfs/dbraw/zinc/36/00/84/169360084.db2.gz UHWJFNNKSBEBFM-NEPJUHHUSA-N 1 0 214.353 1.343 10 0 BDAERO CCC[C@@H](C)N(C)C(=O)C1([NH3+])CCCC1 ZINC000037654871 169362426 /nfs/dbraw/zinc/36/24/26/169362426.db2.gz QNSFYLZRGINZKK-SNVBAGLBSA-N 1 0 212.337 1.905 10 0 BDAERO CCC[C@@H](CC)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000050403021 169380385 /nfs/dbraw/zinc/38/03/85/169380385.db2.gz LVQBZTJJXKKYEP-MNOVXSKESA-N 1 0 240.347 1.691 10 0 BDAERO CCC[C@@H](C[NH3+])CCC(=O)N1CCOCC1 ZINC000076613159 169383979 /nfs/dbraw/zinc/38/39/79/169383979.db2.gz KYVBHLQVTQYJLF-LLVKDONJSA-N 1 0 228.336 1.000 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000036873053 169388376 /nfs/dbraw/zinc/38/83/76/169388376.db2.gz SUJGNVWFYAVBAR-LLVKDONJSA-N 1 0 212.337 1.907 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1COc2ccccc21 ZINC000070530630 169391203 /nfs/dbraw/zinc/39/12/03/169391203.db2.gz SYKNHTTZIVRKBG-GHMZBOCLSA-N 1 0 234.299 1.364 10 0 BDAERO CC(C)(C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000020056784 166634698 /nfs/dbraw/zinc/63/46/98/166634698.db2.gz DTAQYVLTGNUAMT-UHFFFAOYSA-N 1 0 206.289 1.674 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(-c2cc[nH]n2)n1 ZINC000062779877 169394576 /nfs/dbraw/zinc/39/45/76/169394576.db2.gz CYDLIQAAAUIRCD-ZCFIWIBFSA-N 1 0 207.237 1.260 10 0 BDAERO C[C@H]1C[N@H+](CC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000180236268 134328528 /nfs/dbraw/zinc/32/85/28/134328528.db2.gz WDCYBXLMCCXPKX-STQMWFEESA-N 1 0 240.391 1.685 10 0 BDAERO c1ncc(OCC[C@H]2CCCC[NH2+]2)cn1 ZINC000079782084 183546685 /nfs/dbraw/zinc/54/66/85/183546685.db2.gz SPHUZEPMVYEQQR-SNVBAGLBSA-N 1 0 207.277 1.388 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CC[C@H]2[NH3+])C1 ZINC000255189738 166654971 /nfs/dbraw/zinc/65/49/71/166654971.db2.gz RSNCULHDYLMJGK-HBNTYKKESA-N 1 0 240.347 1.981 10 0 BDAERO CCC[C@](C)(C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000054636018 169543898 /nfs/dbraw/zinc/54/38/98/169543898.db2.gz WBSWHUVVFARCEG-VHSXEESVSA-N 1 0 219.350 1.186 10 0 BDAERO CCC[C@](C)(O)C[NH2+]Cc1cnn(C)c1C ZINC000126236594 169553795 /nfs/dbraw/zinc/55/37/95/169553795.db2.gz OIEFWDBWPJRPLX-LBPRGKRZSA-N 1 0 225.336 1.369 10 0 BDAERO CC/C=C/CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000184579884 134363498 /nfs/dbraw/zinc/36/34/98/134363498.db2.gz VHIPQYKSADKQOL-XGACYXMMSA-N 1 0 238.375 1.749 10 0 BDAERO COC(=O)[C@H](C)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227155537 134376216 /nfs/dbraw/zinc/37/62/16/134376216.db2.gz NULKLAWXGRIPNO-IJLUTSLNSA-N 1 0 241.331 1.439 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1CCC(F)(F)C1 ZINC000301001606 383827543 /nfs/dbraw/zinc/82/75/43/383827543.db2.gz VWWAIKKXJCJTEG-ZJUUUORDSA-N 1 0 218.291 1.845 10 0 BDAERO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000309341527 383873258 /nfs/dbraw/zinc/87/32/58/383873258.db2.gz KKOWSVCSSNZOCM-ZJUUUORDSA-N 1 0 221.304 1.036 10 0 BDAERO Cc1cc2c(c(C[NH3+])c1)NC(=O)C2(C)C ZINC000062200781 383833513 /nfs/dbraw/zinc/83/35/13/383833513.db2.gz ZKAOYPGWFXBYQS-UHFFFAOYSA-N 1 0 204.273 1.683 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCOc1ccccc1 ZINC000296110366 383929406 /nfs/dbraw/zinc/92/94/06/383929406.db2.gz IHCSDDYBFJQFAS-OCCSQVGLSA-N 1 0 235.327 1.911 10 0 BDAERO COC[C@]1(C(=O)NCc2ccccc2)CCC[NH2+]1 ZINC000643613976 383995163 /nfs/dbraw/zinc/99/51/63/383995163.db2.gz HPYCZDIMFDIHMP-AWEZNQCLSA-N 1 0 248.326 1.071 10 0 BDAERO CCCCCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643613880 383995299 /nfs/dbraw/zinc/99/52/99/383995299.db2.gz FSYSPPRFWHWROM-GFCCVEGCSA-N 1 0 228.336 1.061 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000037175247 383955002 /nfs/dbraw/zinc/95/50/02/383955002.db2.gz MGAFKTCVJHEVQJ-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO C(C[C@H]1CCOC1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000401128491 383965627 /nfs/dbraw/zinc/96/56/27/383965627.db2.gz OUHOZNKJUUBKNO-KBPBESRZSA-N 1 0 238.375 1.583 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCCN1Cc1ccccc1 ZINC000068592950 384001429 /nfs/dbraw/zinc/00/14/29/384001429.db2.gz WLYLYILTBJZATP-WCQYABFASA-N 1 0 204.317 1.998 10 0 BDAERO CCc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cc1 ZINC000643616171 384007471 /nfs/dbraw/zinc/00/74/71/384007471.db2.gz MTJOHJBYSHLZFV-GFCCVEGCSA-N 1 0 248.326 1.424 10 0 BDAERO CCCCN(CC)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643616841 384009516 /nfs/dbraw/zinc/00/95/16/384009516.db2.gz JFZIMVPLUPVUAT-CYBMUJFWSA-N 1 0 242.363 1.404 10 0 BDAERO C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCCCO1 ZINC000309400474 384032094 /nfs/dbraw/zinc/03/20/94/384032094.db2.gz HHKPKFWIVDQBOD-NDBYEHHHSA-N 1 0 226.364 1.484 10 0 BDAERO C[C@@H]([NH3+])Cc1csc([C@@H]2CCCO2)n1 ZINC000165584917 384032949 /nfs/dbraw/zinc/03/29/49/384032949.db2.gz ZTRAEHIBQSBEGY-APPZFPTMSA-N 1 0 212.318 1.884 10 0 BDAERO Cc1ccc(NC(=O)[C@H](C)[NH2+]C[C@H](C)O)cc1 ZINC000070205016 384087085 /nfs/dbraw/zinc/08/70/85/384087085.db2.gz CNCAGZWGERLGST-QWRGUYRKSA-N 1 0 236.315 1.292 10 0 BDAERO CNC(=[NH2+])N[C@@H]1CCC[C@@H](SC)C1 ZINC000234347411 384065440 /nfs/dbraw/zinc/06/54/40/384065440.db2.gz ARTFSULOLVSOGB-HTQZYQBOSA-N 1 0 201.339 1.404 10 0 BDAERO [NH3+][C@H]1C[C@@H](c2ccco2)Cc2n[nH]cc21 ZINC000072415351 384104220 /nfs/dbraw/zinc/10/42/20/384104220.db2.gz PERGNHOCPRRMEC-APPZFPTMSA-N 1 0 203.245 1.733 10 0 BDAERO FC(F)(F)Oc1cnc2c(c1)C[NH2+]CC2 ZINC000091302209 384114886 /nfs/dbraw/zinc/11/48/86/384114886.db2.gz QDAFWNIVIJKEAB-UHFFFAOYSA-N 1 0 218.178 1.626 10 0 BDAERO C[NH+](C)CCOc1cnnc(Cl)c1 ZINC000091362188 384120471 /nfs/dbraw/zinc/12/04/71/384120471.db2.gz NQJNTIBGXUTXNX-UHFFFAOYSA-N 1 0 201.657 1.070 10 0 BDAERO C[C@@H](NC[C@H]1CC[NH2+]C1)c1nccs1 ZINC000070634494 384126533 /nfs/dbraw/zinc/12/65/33/384126533.db2.gz BRXGKRMKDTYYFJ-BDAKNGLRSA-N 1 0 211.334 1.403 10 0 BDAERO CN[C@H](C[NH3+])c1ccc(F)cc1Cl ZINC000234447825 384174872 /nfs/dbraw/zinc/17/48/72/384174872.db2.gz GZUYGYHAUMQMEP-SECBINFHSA-N 1 0 202.660 1.698 10 0 BDAERO [NH3+]CC[S@](=O)c1cc(F)ccc1F ZINC000040954926 384170841 /nfs/dbraw/zinc/17/08/41/384170841.db2.gz ROQBQIXIDLGFKO-CYBMUJFWSA-N 1 0 205.229 1.031 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1cccs1 ZINC000050394308 384202517 /nfs/dbraw/zinc/20/25/17/384202517.db2.gz FPNFHEYJIARJKK-RKDXNWHRSA-N 1 0 224.329 1.677 10 0 BDAERO Cc1ccc2nc3n(c(=O)c2c1)CCC[C@H]3[NH3+] ZINC000072266485 384203379 /nfs/dbraw/zinc/20/33/79/384203379.db2.gz SVPKLQRQMMUYGX-SNVBAGLBSA-N 1 0 229.283 1.499 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CO1 ZINC000401877195 384187406 /nfs/dbraw/zinc/18/74/06/384187406.db2.gz FXDBNZYCRLKZQH-WYUUTHIRSA-N 1 0 213.321 1.305 10 0 BDAERO CCCN(CC)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643629406 384192214 /nfs/dbraw/zinc/19/22/14/384192214.db2.gz HNBQRICPKDHRIV-LBPRGKRZSA-N 1 0 228.336 1.014 10 0 BDAERO Cc1cccc(N(C)C(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000643629528 384192905 /nfs/dbraw/zinc/19/29/05/384192905.db2.gz OBLYFWQYOARDRM-GFCCVEGCSA-N 1 0 248.326 1.194 10 0 BDAERO [NH3+]Cc1cnnn1-c1ccccc1Cl ZINC000072187222 384197891 /nfs/dbraw/zinc/19/78/91/384197891.db2.gz RVVMVZCZBCFLGU-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[C@@H]1O ZINC000082545111 384232949 /nfs/dbraw/zinc/23/29/49/384232949.db2.gz LCMGAYRVUVMRRX-TUAOUCFPSA-N 1 0 213.321 1.258 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccncc1 ZINC000282318751 384233075 /nfs/dbraw/zinc/23/30/75/384233075.db2.gz KXIXLXQLZRGPRV-JBLDHEPKSA-N 1 0 233.315 1.399 10 0 BDAERO CCOC(=O)C[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000072986126 384239781 /nfs/dbraw/zinc/23/97/81/384239781.db2.gz AESFAZXEICLRIQ-WSMDXJOWSA-N 1 0 241.331 1.316 10 0 BDAERO COCCN1CC[N@H+](CCCSC)C[C@@H]1C ZINC000173678590 384245894 /nfs/dbraw/zinc/24/58/94/384245894.db2.gz LRGAYGXDYKKALA-LBPRGKRZSA-N 1 0 246.420 1.392 10 0 BDAERO Cc1c(C[NH2+]C2(C)CCOCC2)cnn1C ZINC000119312509 384257343 /nfs/dbraw/zinc/25/73/43/384257343.db2.gz JJPNYCGYCCGOEZ-UHFFFAOYSA-N 1 0 223.320 1.387 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cncs1 ZINC000282419981 384273709 /nfs/dbraw/zinc/27/37/09/384273709.db2.gz SPPHNDJMBBPQQA-HRDYMLBCSA-N 1 0 239.344 1.461 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2c(c1)COC2 ZINC000310785308 384308883 /nfs/dbraw/zinc/30/88/83/384308883.db2.gz PRTLDDGQYJCIIZ-NOZJJQNGSA-N 1 0 246.310 1.279 10 0 BDAERO [NH3+]CC[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000044248858 384322669 /nfs/dbraw/zinc/32/26/69/384322669.db2.gz GXOXJYBZFHUQJL-LBPRGKRZSA-N 1 0 218.300 1.526 10 0 BDAERO OC1(CCN2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000335474902 384292120 /nfs/dbraw/zinc/29/21/20/384292120.db2.gz MESUPEWGAJNFAD-LBPRGKRZSA-N 1 0 224.348 1.072 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1nccs1 ZINC000282480199 384292172 /nfs/dbraw/zinc/29/21/72/384292172.db2.gz WUFIELGXASMWDL-HRDYMLBCSA-N 1 0 239.344 1.461 10 0 BDAERO CN(c1ncc(Cl)cn1)[C@@H]1CCC[NH2+]C1 ZINC000095070517 384336382 /nfs/dbraw/zinc/33/63/82/384336382.db2.gz WOQSOWIJFOQKIM-SECBINFHSA-N 1 0 226.711 1.318 10 0 BDAERO CN(Cc1cncs1)[C@@H]1CCC[NH2+]C1 ZINC000095070728 384337377 /nfs/dbraw/zinc/33/73/77/384337377.db2.gz HUCOHKSNGPWZAC-SECBINFHSA-N 1 0 211.334 1.327 10 0 BDAERO Clc1ccc(CNC[C@H]2CCCC[NH2+]2)nn1 ZINC000095070489 384337449 /nfs/dbraw/zinc/33/74/49/384337449.db2.gz GBBFZWBPCRMWHK-SECBINFHSA-N 1 0 240.738 1.362 10 0 BDAERO Clc1ccnc(OCCC2CC[NH2+]CC2)n1 ZINC000095070168 384337482 /nfs/dbraw/zinc/33/74/82/384337482.db2.gz JXOLGXITDNKXNC-UHFFFAOYSA-N 1 0 241.722 1.899 10 0 BDAERO CN(Cc1nccnc1Cl)C[C@H]1CCC[NH2+]1 ZINC000095071023 384339220 /nfs/dbraw/zinc/33/92/20/384339220.db2.gz INMGULFLJXHSIX-SECBINFHSA-N 1 0 240.738 1.314 10 0 BDAERO CN(CC1CC[NH2+]CC1)c1nccc(Cl)n1 ZINC000095071316 384340578 /nfs/dbraw/zinc/34/05/78/384340578.db2.gz JYGOQJXOJMPUTM-UHFFFAOYSA-N 1 0 240.738 1.566 10 0 BDAERO CSc1nccc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000095071872 384341127 /nfs/dbraw/zinc/34/11/27/384341127.db2.gz RYKSNOWOROFZCK-VIFPVBQESA-N 1 0 239.344 1.577 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2cccnc2[nH]1 ZINC000095072243 384343738 /nfs/dbraw/zinc/34/37/38/384343738.db2.gz QYJNKHFFUDOQDT-DTWKUNHWSA-N 1 0 231.303 1.640 10 0 BDAERO O=[S@@](c1cnc2ccccc2n1)[C@H]1CC[NH2+]C1 ZINC000095073012 384345706 /nfs/dbraw/zinc/34/57/06/384345706.db2.gz ZVKQGLRLHYVDTR-XYZCENFISA-N 1 0 247.323 1.099 10 0 BDAERO O=C(CNC[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000095072778 384346501 /nfs/dbraw/zinc/34/65/01/384346501.db2.gz ORNNSIDHZVWMLZ-SECBINFHSA-N 1 0 239.344 1.058 10 0 BDAERO O=[S@](C[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095073595 384348132 /nfs/dbraw/zinc/34/81/32/384348132.db2.gz YNXMROIANKSQMV-BONVTDFDSA-N 1 0 224.329 1.189 10 0 BDAERO O=[S@@](C[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000095073478 384348811 /nfs/dbraw/zinc/34/88/11/384348811.db2.gz DWPRWQSTMGDGMA-MEBBXXQBSA-N 1 0 224.329 1.331 10 0 BDAERO O=[S@@](Cc1cncs1)CC1CC[NH2+]CC1 ZINC000095073733 384349815 /nfs/dbraw/zinc/34/98/15/384349815.db2.gz JGBFDZKIMAUKRK-HNNXBMFYSA-N 1 0 244.385 1.391 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(OC)cc1 ZINC000095075912 384350829 /nfs/dbraw/zinc/35/08/29/384350829.db2.gz QHCSSFRATZCLDF-TZMCWYRMSA-N 1 0 235.327 1.862 10 0 BDAERO C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000095075682 384350968 /nfs/dbraw/zinc/35/09/68/384350968.db2.gz ADVNVNXHKJFUDO-QMMMGPOBSA-N 1 0 214.309 1.461 10 0 BDAERO Nc1ccc2nc(N3CCC[NH2+]CC3)cnc2c1 ZINC000095077280 384353909 /nfs/dbraw/zinc/35/39/09/384353909.db2.gz BZLPJXIQSOPLMX-UHFFFAOYSA-N 1 0 243.314 1.012 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccnc1 ZINC000335593945 384360394 /nfs/dbraw/zinc/36/03/94/384360394.db2.gz QNISVRTYKPTENO-GXSJLCMTSA-N 1 0 219.288 1.408 10 0 BDAERO CCC1(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000335594246 384360555 /nfs/dbraw/zinc/36/05/55/384360555.db2.gz WYZAYOWHCUCZRU-MNOVXSKESA-N 1 0 224.348 1.823 10 0 BDAERO CC[C@@H]1C[C@H]1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000300360630 384360940 /nfs/dbraw/zinc/36/09/40/384360940.db2.gz XEKGZGAOJWFGKM-FOGDFJRCSA-N 1 0 210.321 1.433 10 0 BDAERO CCN(C[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000095091238 384361496 /nfs/dbraw/zinc/36/14/96/384361496.db2.gz DOTCZQKEUCCCSG-MRVPVSSYSA-N 1 0 210.243 1.970 10 0 BDAERO c1cnc2[nH]c(NC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092611 384362715 /nfs/dbraw/zinc/36/27/15/384362715.db2.gz LTZUWVZZSILOAL-VIFPVBQESA-N 1 0 231.303 1.512 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)cn1 ZINC000335598883 384369970 /nfs/dbraw/zinc/36/99/70/384369970.db2.gz ZCOIDBGJBRFHRV-AAEUAGOBSA-N 1 0 247.342 1.394 10 0 BDAERO CCc1cc(N[C@@H](C)CCCC[NH3+])nc(C)n1 ZINC000336676988 384325213 /nfs/dbraw/zinc/32/52/13/384325213.db2.gz CIQIFIQQQHTHRL-JTQLQIEISA-N 1 0 236.363 1.699 10 0 BDAERO CCc1cc(N[C@H](C)CCCC[NH3+])nc(C)n1 ZINC000336676997 384325700 /nfs/dbraw/zinc/32/57/00/384325700.db2.gz CIQIFIQQQHTHRL-SNVBAGLBSA-N 1 0 236.363 1.699 10 0 BDAERO Cc1cc(N[C@H](C)CCCC[NH3+])nc(C)n1 ZINC000336675123 384329731 /nfs/dbraw/zinc/32/97/31/384329731.db2.gz VBIWNVHMZKBNGO-SECBINFHSA-N 1 0 222.336 1.445 10 0 BDAERO Cc1ccc(SC[C@H]2CCC[NH2+]C2)nn1 ZINC000095069161 384331972 /nfs/dbraw/zinc/33/19/72/384331972.db2.gz CZUSHWCSJJFHDO-JTQLQIEISA-N 1 0 223.345 1.877 10 0 BDAERO Clc1ccc(CNC[C@H]2CC[NH2+]C2)cn1 ZINC000095069845 384333725 /nfs/dbraw/zinc/33/37/25/384333725.db2.gz VIYNONFVYLFDIT-JTQLQIEISA-N 1 0 225.723 1.434 10 0 BDAERO Clc1cnc(OC[C@H]2CC[NH2+]C2)nc1 ZINC000095070054 384334298 /nfs/dbraw/zinc/33/42/98/384334298.db2.gz USDGLTLIVOSNMD-ZETCQYMHSA-N 1 0 213.668 1.118 10 0 BDAERO O=[S@](Cc1ccc(Cl)nc1)[C@H]1CC[NH2+]C1 ZINC000095069888 384334536 /nfs/dbraw/zinc/33/45/36/384334536.db2.gz YFAXUISGTPIHMD-VFZGTOFNSA-N 1 0 244.747 1.346 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1cc(F)cc(Cl)c1 ZINC000095799190 384397964 /nfs/dbraw/zinc/39/79/64/384397964.db2.gz GAFTVDZYKAATRP-CDUCUWFYSA-N 1 0 203.644 1.860 10 0 BDAERO CC[NH+]1CCN(c2ccc(N)c(OC)c2)CC1 ZINC000077371435 384405918 /nfs/dbraw/zinc/40/59/18/384405918.db2.gz HMHILCRWXQZODU-UHFFFAOYSA-N 1 0 235.331 1.419 10 0 BDAERO CC(C)CS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000095908563 384408472 /nfs/dbraw/zinc/40/84/72/384408472.db2.gz ORDGDDFQKXKMRD-JTQLQIEISA-N 1 0 219.350 1.199 10 0 BDAERO O=C1CC2(CC[NH2+]CC2)Oc2c(F)cccc21 ZINC000095933210 384412307 /nfs/dbraw/zinc/41/23/07/384412307.db2.gz FPDYVNBYZSKSHT-UHFFFAOYSA-N 1 0 235.258 1.913 10 0 BDAERO Nc1cccc2c1CCCN2C(=O)[C@@H]1CC[NH2+]C1 ZINC000237872421 384414953 /nfs/dbraw/zinc/41/49/53/384414953.db2.gz OLWCJPKJUASMDS-SNVBAGLBSA-N 1 0 245.326 1.158 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@H]([NH3+])[C@@H]2C1 ZINC000095940654 384416255 /nfs/dbraw/zinc/41/62/55/384416255.db2.gz RMDALSIUARCJCV-AEJSXWLSSA-N 1 0 224.304 1.367 10 0 BDAERO CC[C@@H](CO)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000096033741 384424951 /nfs/dbraw/zinc/42/49/51/384424951.db2.gz JWZOQHMAYFSJTC-BBBLOLIVSA-N 1 0 201.310 1.303 10 0 BDAERO [NH3+]Cc1nc(Cl)ccc1Br ZINC000095630932 384384589 /nfs/dbraw/zinc/38/45/89/384384589.db2.gz YTHRNMAFBYGWGU-UHFFFAOYSA-N 1 0 221.485 1.956 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CCOC(C)C ZINC000175350173 384425719 /nfs/dbraw/zinc/42/57/19/384425719.db2.gz LRJDGQYAOISOQB-ZDUSSCGKSA-N 1 0 228.380 1.828 10 0 BDAERO COC(=O)c1ccc2c(c1)[C@@H]([NH3+])CCO2 ZINC000016082992 384450266 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ZINC000643600562 384481094 /nfs/dbraw/zinc/48/10/94/384481094.db2.gz IUQGUYJJLUAJTE-CPCISQLKSA-N 1 0 238.356 1.784 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccsc1)n1cncn1 ZINC000043124099 384495490 /nfs/dbraw/zinc/49/54/90/384495490.db2.gz PSJULJWFJPQPHK-VXNVDRBHSA-N 1 0 208.290 1.276 10 0 BDAERO CS(=O)(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000054930080 384513193 /nfs/dbraw/zinc/51/31/93/384513193.db2.gz XTRUJWDPLTWSRF-BDAKNGLRSA-N 1 0 205.323 1.081 10 0 BDAERO CCSCC[NH2+][C@H]1CCCn2ncnc21 ZINC000372461368 384514587 /nfs/dbraw/zinc/51/45/87/384514587.db2.gz BJABWYNKUQCYQU-VIFPVBQESA-N 1 0 226.349 1.456 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC000170856416 384524073 /nfs/dbraw/zinc/52/40/73/384524073.db2.gz ZZPMIUSQECEDKQ-MRVPVSSYSA-N 1 0 242.706 1.709 10 0 BDAERO c1nc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CCSC1 ZINC000309714436 384556555 /nfs/dbraw/zinc/55/65/55/384556555.db2.gz YGDOCJONNLXZLH-NXEZZACHSA-N 1 0 238.360 1.456 10 0 BDAERO [NH3+]CCCNc1ccnc(C(F)(F)F)c1 ZINC000212242493 384563291 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[NH3+]Cc1cn(-c2ccc(C(F)(F)F)cc2)nn1 ZINC000050224151 384609204 /nfs/dbraw/zinc/60/92/04/384609204.db2.gz KNFSQCFDCKZUGZ-UHFFFAOYSA-N 1 0 242.204 1.745 10 0 BDAERO COc1ccccc1C[NH2+]CC1CC(O)C1 ZINC000084447709 384623227 /nfs/dbraw/zinc/62/32/27/384623227.db2.gz HNROIQJOERFIOD-UHFFFAOYSA-N 1 0 221.300 1.556 10 0 BDAERO Cc1ccccc1C[NH2+]CC1CC(O)C1 ZINC000084446929 384623854 /nfs/dbraw/zinc/62/38/54/384623854.db2.gz AUKQFYDRRXLUOQ-UHFFFAOYSA-N 1 0 205.301 1.856 10 0 BDAERO [NH3+]Cc1ccoc1I ZINC000098095779 384592080 /nfs/dbraw/zinc/59/20/80/384592080.db2.gz JUNVDELEEMSEEH-UHFFFAOYSA-N 1 0 223.013 1.343 10 0 BDAERO c1cc2c(c(N3CC[NH2+]CC3)c1)CCCN2 ZINC000034612851 384665210 /nfs/dbraw/zinc/66/52/10/384665210.db2.gz BNBITWOHIHVDSE-UHFFFAOYSA-N 1 0 217.316 1.454 10 0 BDAERO [NH3+][C@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000101479122 384673848 /nfs/dbraw/zinc/67/38/48/384673848.db2.gz IHBAOXCCDNCTLW-TUAOUCFPSA-N 1 0 216.284 1.102 10 0 BDAERO Cc1cc(C)nc(S[C@@H]2CCC[NH2+]C2)n1 ZINC000051608116 384675595 /nfs/dbraw/zinc/67/55/95/384675595.db2.gz SQDXLSPCLFAYMH-SNVBAGLBSA-N 1 0 223.345 1.938 10 0 BDAERO CSC1(C[NH2+]C[C@H](C)N2CCOCC2)CC1 ZINC000309835398 384657423 /nfs/dbraw/zinc/65/74/23/384657423.db2.gz AZXYNDGUUCJALL-NSHDSACASA-N 1 0 244.404 1.192 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC000082282908 384659316 /nfs/dbraw/zinc/65/93/16/384659316.db2.gz CIHMQNNTLCHKLP-LBPRGKRZSA-N 1 0 236.290 1.602 10 0 BDAERO Cc1c(C[NH2+][C@@H]2CC=CCC2)cnn1C ZINC000086552166 384662147 /nfs/dbraw/zinc/66/21/47/384662147.db2.gz XYLHIWPNCLBZSJ-GFCCVEGCSA-N 1 0 205.305 1.927 10 0 BDAERO COc1cc(C)nc(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000125962733 384724520 /nfs/dbraw/zinc/72/45/20/384724520.db2.gz YHNRZOYNUHDCCC-PRHODGIISA-N 1 0 206.289 1.897 10 0 BDAERO CCc1csc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000306751200 384677199 /nfs/dbraw/zinc/67/71/99/384677199.db2.gz NHMCMUMYHFINQJ-YUMQZZPRSA-N 1 0 211.334 1.631 10 0 BDAERO Cc1c(C[NH2+]C[C@H](CO)C(C)C)cnn1C ZINC000336660054 384685336 /nfs/dbraw/zinc/68/53/36/384685336.db2.gz JIIFKNWHFAFBEV-GFCCVEGCSA-N 1 0 225.336 1.083 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000309901953 384700321 /nfs/dbraw/zinc/70/03/21/384700321.db2.gz IEDHFMJYSKNFSK-JQWIXIFHSA-N 1 0 221.304 1.375 10 0 BDAERO c1cnc(OCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000051918331 384701822 /nfs/dbraw/zinc/70/18/22/384701822.db2.gz PQYSSUIYYXFXIK-JTQLQIEISA-N 1 0 207.277 1.245 10 0 BDAERO CN(Cc1ccccn1)C[C@@H]1CC[NH2+]C1 ZINC000051889947 384701902 /nfs/dbraw/zinc/70/19/02/384701902.db2.gz IJYXRPHIMACLAO-LLVKDONJSA-N 1 0 205.305 1.123 10 0 BDAERO c1ccc2nc(OC[C@@H]3CC[NH2+]C3)cnc2c1 ZINC000052018320 384710515 /nfs/dbraw/zinc/71/05/15/384710515.db2.gz GNAIKTJTFJXIMZ-SNVBAGLBSA-N 1 0 229.283 1.618 10 0 BDAERO CN(C)c1cccnc1C[NH2+][C@H]1CCSC1 ZINC000289585432 384773143 /nfs/dbraw/zinc/77/31/43/384773143.db2.gz BQZVWZXNJZRBDY-JTQLQIEISA-N 1 0 237.372 1.743 10 0 BDAERO COc1cc(C[NH2+][C@@H]2C[C@@H]2C)cc(OC)c1O ZINC000052272611 384728575 /nfs/dbraw/zinc/72/85/75/384728575.db2.gz QQCLTDCEGLLDTD-WCBMZHEXSA-N 1 0 237.299 1.907 10 0 BDAERO Cc1cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)on1 ZINC000334824466 384737959 /nfs/dbraw/zinc/73/79/59/384737959.db2.gz BOKJTTIMXRXKKA-WCBMZHEXSA-N 1 0 210.277 1.186 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncc(Cl)cn1 ZINC000307089188 384740582 /nfs/dbraw/zinc/74/05/82/384740582.db2.gz UQAWNTYVCGBQMY-SVRRBLITSA-N 1 0 212.684 1.056 10 0 BDAERO c1coc(-c2n[nH]cc2CN2CC[NH2+]CC2)c1 ZINC000082652972 384743568 /nfs/dbraw/zinc/74/35/68/384743568.db2.gz RFBKCNVBSNRRSZ-UHFFFAOYSA-N 1 0 232.287 1.075 10 0 BDAERO CO[C@@H](C)C[NH2+]C1CC(c2ccccn2)C1 ZINC000309966778 384744301 /nfs/dbraw/zinc/74/43/01/384744301.db2.gz NVELJQQLBJNTGG-UNXYVOJBSA-N 1 0 220.316 1.952 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105075825 384747894 /nfs/dbraw/zinc/74/78/94/384747894.db2.gz DWHKJCDPOCSNMP-RYUDHWBXSA-N 1 0 241.379 1.767 10 0 BDAERO O=C(O[C@@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000086229585 384772416 /nfs/dbraw/zinc/77/24/16/384772416.db2.gz QLPFRPZYWYWTNR-SNVBAGLBSA-N 1 0 212.293 1.361 10 0 BDAERO N[C@@H](C[NH3+])c1cc(F)cc(C(F)(F)F)c1 ZINC000072201034 384816713 /nfs/dbraw/zinc/81/67/13/384816713.db2.gz FWFMYGKUYQPYCO-QMMMGPOBSA-N 1 0 222.185 1.803 10 0 BDAERO CSC[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000108994252 384822057 /nfs/dbraw/zinc/82/20/57/384822057.db2.gz MLQHLFFMNPWASR-ZJUUUORDSA-N 1 0 230.377 1.148 10 0 BDAERO Cc1c(F)cccc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000335146002 384832765 /nfs/dbraw/zinc/83/27/65/384832765.db2.gz OCMNBWNHEQEZFK-SNVBAGLBSA-N 1 0 236.290 1.697 10 0 BDAERO CC[C@H]([NH2+]CCN1CCNC1=O)C(C)(C)C ZINC000310019624 384787119 /nfs/dbraw/zinc/78/71/19/384787119.db2.gz MNGLRURGCQCXGH-JTQLQIEISA-N 1 0 227.352 1.426 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000048775571 384787285 /nfs/dbraw/zinc/78/72/85/384787285.db2.gz ALALIAHTDCABLB-SNVBAGLBSA-N 1 0 206.289 1.850 10 0 BDAERO Cc1cnccc1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000335054866 384788127 /nfs/dbraw/zinc/78/81/27/384788127.db2.gz NPJJNASVCPVHHR-DGCLKSJQSA-N 1 0 247.342 1.394 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1O ZINC000188801524 384836073 /nfs/dbraw/zinc/83/60/73/384836073.db2.gz OLDYTBFSYJTOLC-WCBMZHEXSA-N 1 0 238.262 1.339 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1CCc2nccn2C1 ZINC000310022269 384791228 /nfs/dbraw/zinc/79/12/28/384791228.db2.gz NYEYBAFWLINVGF-GHMZBOCLSA-N 1 0 223.320 1.213 10 0 BDAERO C[C@H]([NH3+])c1nc(Cc2cccs2)n[nH]1 ZINC000061843892 384791161 /nfs/dbraw/zinc/79/11/61/384791161.db2.gz HVWZHJASKCHXTR-LURJTMIESA-N 1 0 208.290 1.477 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2O)C1 ZINC000390008491 384797042 /nfs/dbraw/zinc/79/70/42/384797042.db2.gz SAQANYQXPQWBOZ-GFCCVEGCSA-N 1 0 248.326 1.145 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]CC1(OC)CCOCC1 ZINC000310035867 384804147 /nfs/dbraw/zinc/80/41/47/384804147.db2.gz UEHSATARJZKRHK-VXGBXAGGSA-N 1 0 227.348 1.960 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](C)CC(F)F ZINC000648193706 384808566 /nfs/dbraw/zinc/80/85/66/384808566.db2.gz IOGMZLCRSFUAOE-DTWKUNHWSA-N 1 0 236.306 1.767 10 0 BDAERO C[C@H](CNC(=O)C1CCC([NH3+])CC1)CC(F)F ZINC000648193765 384809226 /nfs/dbraw/zinc/80/92/26/384809226.db2.gz KMMNMSDHIJIINC-IDKOKCKLSA-N 1 0 248.317 1.911 10 0 BDAERO CCCC[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892957 384812304 /nfs/dbraw/zinc/81/23/04/384812304.db2.gz AIDYHFRIHVMNAF-ZDUSSCGKSA-N 1 0 237.347 1.692 10 0 BDAERO C[Si](C)(C)C[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000306309954 384875272 /nfs/dbraw/zinc/87/52/72/384875272.db2.gz LWOCONPVDOWIAN-DTWKUNHWSA-N 1 0 205.349 1.269 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105871004 384882926 /nfs/dbraw/zinc/88/29/26/384882926.db2.gz LYQNKMQTAPKPNQ-WCQYABFASA-N 1 0 242.326 1.944 10 0 BDAERO Nc1cccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)c1 ZINC000072236837 384844982 /nfs/dbraw/zinc/84/49/82/384844982.db2.gz PRXYOLHUUUMYTN-UHFFFAOYSA-N 1 0 243.314 1.521 10 0 BDAERO COC[C@H](C)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227420609 384859771 /nfs/dbraw/zinc/85/97/71/384859771.db2.gz XTGWLWQJAHMTIY-AGIUHOORSA-N 1 0 226.364 1.437 10 0 BDAERO CSCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000306870563 384862812 /nfs/dbraw/zinc/86/28/12/384862812.db2.gz VPIABDZYPCFRAS-HBNTYKKESA-N 1 0 215.362 1.442 10 0 BDAERO COC(=O)[C@H](C[NH3+])c1ccccc1Cl ZINC000057496938 384951096 /nfs/dbraw/zinc/95/10/96/384951096.db2.gz JLYFVFOEDLOTCB-MRVPVSSYSA-N 1 0 213.664 1.555 10 0 BDAERO Cc1nnc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)s1 ZINC000301612771 384903776 /nfs/dbraw/zinc/90/37/76/384903776.db2.gz SQCWWZIXFGPKSS-PSASIEDQSA-N 1 0 240.376 1.987 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2CCCF)cn1 ZINC000127662198 384931772 /nfs/dbraw/zinc/93/17/72/384931772.db2.gz BUQBMZKFPLELEV-NSHDSACASA-N 1 0 211.284 1.917 10 0 BDAERO C[C@@H](C(=O)N(CC1CC1)CC1CC1)C1C[NH2+]C1 ZINC000164568482 384934680 /nfs/dbraw/zinc/93/46/80/384934680.db2.gz REMOMGZGFRHGEN-SNVBAGLBSA-N 1 0 236.359 1.491 10 0 BDAERO Cc1noc(C)c1CC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000335589089 384940271 /nfs/dbraw/zinc/94/02/71/384940271.db2.gz MAGRSMQOMISRCU-JOYOIKCWSA-N 1 0 238.331 1.537 10 0 BDAERO COc1ccccc1CNC[C@H]1CC[NH2+]C1 ZINC000258767851 384943394 /nfs/dbraw/zinc/94/33/94/384943394.db2.gz AJGYANNBUQMNPZ-NSHDSACASA-N 1 0 220.316 1.394 10 0 BDAERO COCC[C@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368002204 384944434 /nfs/dbraw/zinc/94/44/34/384944434.db2.gz USUQXVLKXAHIOX-VHSXEESVSA-N 1 0 223.320 1.282 10 0 BDAERO CCC[C@@H]1C[C@@H]1Nc1cc[nH+]cc1C(N)=O ZINC000302182268 384978561 /nfs/dbraw/zinc/97/85/61/384978561.db2.gz ZBZAJGJTBLDNJI-KCJUWKMLSA-N 1 0 219.288 1.781 10 0 BDAERO COC[C@@H]1CC[N@@H+]1CCSC(C)C ZINC000339281138 384982605 /nfs/dbraw/zinc/98/26/05/384982605.db2.gz IMHZKTUMTNBETA-JTQLQIEISA-N 1 0 203.351 1.849 10 0 BDAERO CC(C)CS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000058259405 384993018 /nfs/dbraw/zinc/99/30/18/384993018.db2.gz NGQLOUQJZFCJNV-JTQLQIEISA-N 1 0 219.350 1.057 10 0 BDAERO CCc1ccccc1OC[C@H](O)C[NH2+]C(C)C ZINC000033466149 384999527 /nfs/dbraw/zinc/99/95/27/384999527.db2.gz ZTQFJBHJSRNDGR-CYBMUJFWSA-N 1 0 237.343 1.987 10 0 BDAERO COC[C@@H](C)OC[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339502901 385003054 /nfs/dbraw/zinc/00/30/54/385003054.db2.gz FKJRUTMKEHCDIN-VXGBXAGGSA-N 1 0 245.363 1.177 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC000404460952 385009051 /nfs/dbraw/zinc/00/90/51/385009051.db2.gz TUVAFPQCHRMLIX-MWLCHTKSSA-N 1 0 226.345 1.784 10 0 BDAERO CC(C)C1([NH2+]CC2(O)CCOCC2)CC1 ZINC000339517675 385015492 /nfs/dbraw/zinc/01/54/92/385015492.db2.gz IUQLAGUKJXVWMI-UHFFFAOYSA-N 1 0 213.321 1.306 10 0 BDAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H]1CCCO1 ZINC000336683243 385056235 /nfs/dbraw/zinc/05/62/35/385056235.db2.gz JRRCWMANBHZNMT-AXFHLTTASA-N 1 0 215.337 1.551 10 0 BDAERO c1nc2c(n1Cc1ccccc1)CC[NH2+]C2 ZINC000164655738 385028054 /nfs/dbraw/zinc/02/80/54/385028054.db2.gz KHEKATAEQQGEDJ-UHFFFAOYSA-N 1 0 213.284 1.577 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCN(CCOC)C1 ZINC000310022070 385039827 /nfs/dbraw/zinc/03/98/27/385039827.db2.gz NWCGLVUGZRVFNI-JHJVBQTASA-N 1 0 226.364 1.485 10 0 BDAERO c1coc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128489430 385041041 /nfs/dbraw/zinc/04/10/41/385041041.db2.gz LNVUQKVVJRBFER-LBPRGKRZSA-N 1 0 246.314 1.783 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](CC3=CCCOC3)C2)cn1 ZINC000128518609 385045219 /nfs/dbraw/zinc/04/52/19/385045219.db2.gz PEPJDQXTJUIVOD-ZDUSSCGKSA-N 1 0 247.342 1.556 10 0 BDAERO C[C@@H]([NH3+])C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000157214451 385114684 /nfs/dbraw/zinc/11/46/84/385114684.db2.gz QXTOYQORYGHMTN-GHMZBOCLSA-N 1 0 247.342 1.074 10 0 BDAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ncc[nH]1 ZINC000165411992 385120345 /nfs/dbraw/zinc/12/03/45/385120345.db2.gz LEIBBMTXIYJLOH-JQWIXIFHSA-N 1 0 223.320 1.560 10 0 BDAERO C[C@H](C[NH2+][C@H](C)C1CCC1)N1CCOCC1 ZINC000177729908 385092182 /nfs/dbraw/zinc/09/21/82/385092182.db2.gz VJSMLJLASXKUIT-VXGBXAGGSA-N 1 0 226.364 1.485 10 0 BDAERO Nc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)ccn1 ZINC000308815277 385183865 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ZINC000308803788 385178416 /nfs/dbraw/zinc/17/84/16/385178416.db2.gz AFHFGONUCNVBRU-IJLUTSLNSA-N 1 0 211.305 1.177 10 0 BDAERO N[C@@H](CC[NH3+])c1ccc(Br)s1 ZINC000259302433 385180805 /nfs/dbraw/zinc/18/08/05/385180805.db2.gz KEQUKSIEDQJMQV-YFKPBYRVSA-N 1 0 235.150 1.859 10 0 BDAERO C[C@H](C(=O)N[C@H]1CCCCC1(C)C)C1C[NH2+]C1 ZINC000164660158 385222282 /nfs/dbraw/zinc/22/22/82/385222282.db2.gz FNQFBFLQJREKJI-JQWIXIFHSA-N 1 0 238.375 1.927 10 0 BDAERO C[C@H](C(=O)N[C@@H]1CCCCC1(C)C)C1C[NH2+]C1 ZINC000164659971 385223285 /nfs/dbraw/zinc/22/32/85/385223285.db2.gz FNQFBFLQJREKJI-CMPLNLGQSA-N 1 0 238.375 1.927 10 0 BDAERO CN(C)c1cccnc1C[NH2+][C@H]1CCOC1 ZINC000289727488 385306092 /nfs/dbraw/zinc/30/60/92/385306092.db2.gz GNXJSQJQWMUDFC-JTQLQIEISA-N 1 0 221.304 1.026 10 0 BDAERO [NH3+]CCc1c[nH]nc1-c1ccc(O)cc1 ZINC000044399127 385309918 /nfs/dbraw/zinc/30/99/18/385309918.db2.gz YOBKMPXFNJJTCH-UHFFFAOYSA-N 1 0 203.245 1.284 10 0 BDAERO COc1c(C[NH2+]CC=C(C)C)c(C)nn1C ZINC000191626676 385311229 /nfs/dbraw/zinc/31/12/29/385311229.db2.gz BXYHYKASTFXMHD-UHFFFAOYSA-N 1 0 223.320 1.793 10 0 BDAERO O=C(c1cccc(F)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000131184016 385316102 /nfs/dbraw/zinc/31/61/02/385316102.db2.gz MUNSSHMMBQIHGR-JTQLQIEISA-N 1 0 249.289 1.141 10 0 BDAERO COC[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000308963393 385317092 /nfs/dbraw/zinc/31/70/92/385317092.db2.gz SUOOEHNBRKTPET-DCAQKATOSA-N 1 0 215.337 1.815 10 0 BDAERO Cn1cccc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000130625587 385267772 /nfs/dbraw/zinc/26/77/72/385267772.db2.gz FFYSQWNMWOJIQS-CHWSQXEVSA-N 1 0 222.332 1.808 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000052287857 385274863 /nfs/dbraw/zinc/27/48/63/385274863.db2.gz JIAVSFPCRREOMA-MWLCHTKSSA-N 1 0 201.273 1.832 10 0 BDAERO c1ccc2c(c1)CC[NH2+][C@@H]2CN1CCCC1 ZINC000034352271 385279675 /nfs/dbraw/zinc/27/96/75/385279675.db2.gz PBJVNKGUYVIHJW-CQSZACIVSA-N 1 0 216.328 1.969 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1ccc2ncccc2c1 ZINC000259334850 385284385 /nfs/dbraw/zinc/28/43/85/385284385.db2.gz XLQYCUVSKAZXQH-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO C1CC[C@]2(CCC[N@@H+](C3CC[NH2+]CC3)C2)OC1 ZINC000409424403 385331342 /nfs/dbraw/zinc/33/13/42/385331342.db2.gz BUALZMLIPDRIDM-CQSZACIVSA-N 1 0 238.375 1.774 10 0 BDAERO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCCO1 ZINC000308986718 385332010 /nfs/dbraw/zinc/33/20/10/385332010.db2.gz JYJDLCXNOPMPBB-RHYQMDGZSA-N 1 0 212.337 1.094 10 0 BDAERO CCOC(=O)Nc1ccc(OC2C[NH2+]C2)cc1 ZINC000409425883 385333646 /nfs/dbraw/zinc/33/36/46/385333646.db2.gz NPQPWHRDQOVGMV-UHFFFAOYSA-N 1 0 236.271 1.606 10 0 BDAERO CC[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000643982530 385347884 /nfs/dbraw/zinc/34/78/84/385347884.db2.gz SUDRXTKEKMCTGW-ZJUUUORDSA-N 1 0 248.317 1.782 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@H]1CCC2(CCCC2)O1 ZINC000299993185 385388390 /nfs/dbraw/zinc/38/83/90/385388390.db2.gz XKPFXWRWEXMJQE-QWHCGFSZSA-N 1 0 238.375 1.901 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1CCC[C@H](C(C)(F)F)C1 ZINC000409428819 385327240 /nfs/dbraw/zinc/32/72/40/385327240.db2.gz NJDSXDAZJGBWOQ-SFYZADRCSA-N 1 0 220.263 1.227 10 0 BDAERO CC(C)[C@@H]([NH3+])CSC1=NCCS1 ZINC000169726482 385418240 /nfs/dbraw/zinc/41/82/40/385418240.db2.gz ZGDINIGRLNEAKF-ZETCQYMHSA-N 1 0 204.364 1.806 10 0 BDAERO COC(=O)[C@H](N)[C@H](C)Sc1ccc(F)cc1 ZINC000169726746 385418276 /nfs/dbraw/zinc/41/82/76/385418276.db2.gz KPDQXUKODDSXQM-OIBJUYFYSA-N 1 0 243.303 1.807 10 0 BDAERO COC(=O)[C@H](N)[C@@H](C)Oc1ccc(F)cc1 ZINC000169726790 385418369 /nfs/dbraw/zinc/41/83/69/385418369.db2.gz SMFUZPGUYKRTRK-GMSGAONNSA-N 1 0 227.235 1.093 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000156421113 385451795 /nfs/dbraw/zinc/45/17/95/385451795.db2.gz QTJZLDBYPKAORP-LLVKDONJSA-N 1 0 205.305 1.619 10 0 BDAERO C[C@@]1(C[NH2+]C2COC2)CCO[C@H]1C1CC1 ZINC000309125269 385429464 /nfs/dbraw/zinc/42/94/64/385429464.db2.gz PHJBVIUWWWPBBK-RYUDHWBXSA-N 1 0 211.305 1.180 10 0 BDAERO CC[NH2+][C@H](C)CNc1ccnc2cccnc21 ZINC000387650129 385477266 /nfs/dbraw/zinc/47/72/66/385477266.db2.gz ZWQAVSOROFEHCG-SNVBAGLBSA-N 1 0 230.315 1.462 10 0 BDAERO N[C@@]1(C(F)(F)F)CC[N@@H+]2CCC[C@H]2C1 ZINC000157015039 385481904 /nfs/dbraw/zinc/48/19/04/385481904.db2.gz UASFPHYOTOWFDI-YUMQZZPRSA-N 1 0 208.227 1.504 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000295157484 385464324 /nfs/dbraw/zinc/46/43/24/385464324.db2.gz KEHTWPLFTAYBRX-IJLUTSLNSA-N 1 0 223.320 1.347 10 0 BDAERO CC[NH2+]CCCNc1nc(C)cc(OC)n1 ZINC000166457385 385501238 /nfs/dbraw/zinc/50/12/38/385501238.db2.gz DTZMBMVCXYZWCB-UHFFFAOYSA-N 1 0 224.308 1.205 10 0 BDAERO COC[C@H](CCO)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336775363 385506174 /nfs/dbraw/zinc/50/61/74/385506174.db2.gz YUTBWWWCYDIHNH-WOPDTQHZSA-N 1 0 233.327 1.502 10 0 BDAERO CC(C)OC(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183124932 385509877 /nfs/dbraw/zinc/50/98/77/385509877.db2.gz SDUXXKWWFZCHAG-GHMZBOCLSA-N 1 0 229.320 1.485 10 0 BDAERO CCOc1nccnc1NCC([NH3+])(CC)CC ZINC000643013677 385511437 /nfs/dbraw/zinc/51/14/37/385511437.db2.gz DBCKUDZVFIIMFL-UHFFFAOYSA-N 1 0 238.335 1.227 10 0 BDAERO CC[C@H]([NH2+]CC(=O)N(C)CC)C(C)(C)C ZINC000309235340 385489490 /nfs/dbraw/zinc/48/94/90/385489490.db2.gz XLJDWOWJWMUNLI-JTQLQIEISA-N 1 0 214.353 1.879 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1nccs1 ZINC000180591588 385530023 /nfs/dbraw/zinc/53/00/23/385530023.db2.gz PPOKYBRVRLHSEZ-DTWKUNHWSA-N 1 0 249.343 1.400 10 0 BDAERO c1cc2cc([C@H]3C[NH2+]CCO3)ccc2cn1 ZINC000258015502 385522155 /nfs/dbraw/zinc/52/21/55/385522155.db2.gz IUFCGHHGBAHYQM-CYBMUJFWSA-N 1 0 214.268 1.896 10 0 BDAERO CC1([NH3+])CCN(c2ncc(Cl)cn2)CC1 ZINC000643029164 385523770 /nfs/dbraw/zinc/52/37/70/385523770.db2.gz KJAFWLPRZBMPRJ-UHFFFAOYSA-N 1 0 226.711 1.448 10 0 BDAERO CCc1cc(CC)nc(N2CCC(C)([NH3+])CC2)n1 ZINC000643028523 385524298 /nfs/dbraw/zinc/52/42/98/385524298.db2.gz NJPUVDVLOXNMNU-UHFFFAOYSA-N 1 0 248.374 1.919 10 0 BDAERO CC[C@@H]([NH3+])C(=O)Nc1cccnc1Cl ZINC000037019996 385595606 /nfs/dbraw/zinc/59/56/06/385595606.db2.gz FHNOCMJDKGKNGP-ZCFIWIBFSA-N 1 0 213.668 1.411 10 0 BDAERO Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037166225 385596888 /nfs/dbraw/zinc/59/68/88/385596888.db2.gz IDZMJIRUOYXYMX-WDEREUQCSA-N 1 0 209.293 1.111 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccccc1COC ZINC000054074516 385597824 /nfs/dbraw/zinc/59/78/24/385597824.db2.gz ZMJYCKWNAJQWCC-SNVBAGLBSA-N 1 0 236.315 1.057 10 0 BDAERO CCN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000054305945 385617144 /nfs/dbraw/zinc/61/71/44/385617144.db2.gz HWINMZNQAZJFBF-JTQLQIEISA-N 1 0 210.321 1.387 10 0 BDAERO Cc1nnc(N[C@@H](C)CCCC[NH3+])nc1C ZINC000309481800 385607907 /nfs/dbraw/zinc/60/79/07/385607907.db2.gz WULMNUCXGQRSGQ-QMMMGPOBSA-N 1 0 223.324 1.418 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000055421362 385642646 /nfs/dbraw/zinc/64/26/46/385642646.db2.gz XGURSZKOSYFVDG-SNVBAGLBSA-N 1 0 206.289 1.253 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCOC2)CC(C)(C)C1 ZINC000229636911 134463399 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385995551 /nfs/dbraw/zinc/99/55/51/385995551.db2.gz GEVPNUKGZKJCGS-QWHCGFSZSA-N 1 0 248.301 1.681 10 0 BDAERO CC(=O)c1ccc(NC(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000414675761 386154074 /nfs/dbraw/zinc/15/40/74/386154074.db2.gz RJDGFWGDIYQNTK-SECBINFHSA-N 1 0 249.314 1.748 10 0 BDAERO CC(C)Oc1cncc(N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000310178118 386154935 /nfs/dbraw/zinc/15/49/35/386154935.db2.gz MSPCLOMWJKHHGC-VHSXEESVSA-N 1 0 236.319 1.190 10 0 BDAERO CCC[C@@H]([NH3+])c1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000310216305 386165015 /nfs/dbraw/zinc/16/50/15/386165015.db2.gz IRZLVXFIOYTYIL-MWLCHTKSSA-N 1 0 240.351 1.485 10 0 BDAERO C[C@@H]1CCN[C@@]2(CCC[NH2+]CC2)S1 ZINC000575577488 386197473 /nfs/dbraw/zinc/19/74/73/386197473.db2.gz ZAGHNZMZBMKXBL-ZJUUUORDSA-N 1 0 200.351 1.571 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000336730979 386292484 /nfs/dbraw/zinc/29/24/84/386292484.db2.gz IPHGBEWUNRTZIB-NOHGZBONSA-N 1 0 229.364 1.797 10 0 BDAERO CC(C)(C)OC(=O)NC1CC2(CC[C@H]2[NH3+])C1 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ZINC000034583972 386450486 /nfs/dbraw/zinc/45/04/86/386450486.db2.gz RKTKILLHVKYTEO-UHFFFAOYSA-N 1 0 230.315 1.974 10 0 BDAERO CC[C@H]([NH3+])CNc1nccn2nc(C)cc12 ZINC000164961230 386428306 /nfs/dbraw/zinc/42/83/06/386428306.db2.gz XJBVJIGADJVHKU-VIFPVBQESA-N 1 0 219.292 1.187 10 0 BDAERO CC(C)CNC(=O)CC[NH2+]Cc1ccccc1 ZINC000134446446 386431509 /nfs/dbraw/zinc/43/15/09/386431509.db2.gz SPUUUOXTUVIOSA-UHFFFAOYSA-N 1 0 234.343 1.939 10 0 BDAERO C[C@@H]([NH2+]CC[C@@H](O)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414439552 386469516 /nfs/dbraw/zinc/46/95/16/386469516.db2.gz LHCKLPBYQDKQNI-LURQLKTLSA-N 1 0 225.254 1.934 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000062112053 386499863 /nfs/dbraw/zinc/49/98/63/386499863.db2.gz JSVFWDBEYTVQER-CMPLNLGQSA-N 1 0 218.300 1.473 10 0 BDAERO CCc1c(C[NH3+])nnn1-c1ccccc1F ZINC000062237443 386507410 /nfs/dbraw/zinc/50/74/10/386507410.db2.gz ATRQHIKVAQLPCM-UHFFFAOYSA-N 1 0 220.251 1.428 10 0 BDAERO Cc1nc(CN[C@@H](C)[C@@H]2CC[NH2+]C2)sc1C ZINC000415082506 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386675595 /nfs/dbraw/zinc/67/55/95/386675595.db2.gz HZPYJRITSUWFCQ-CHWSQXEVSA-N 1 0 230.311 1.542 10 0 BDAERO COCc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000335482228 386708905 /nfs/dbraw/zinc/70/89/05/386708905.db2.gz CBCGKOHNGNSQTB-GWCFXTLKSA-N 1 0 248.326 1.252 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCNC2=O)cc1C ZINC000269314201 386776149 /nfs/dbraw/zinc/77/61/49/386776149.db2.gz YKDUDIXYFSUDTC-DGCLKSJQSA-N 1 0 232.327 1.843 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCOC(C)(C)C ZINC000395001929 386800381 /nfs/dbraw/zinc/80/03/81/386800381.db2.gz HNDRYQPYNSYWNC-MNOVXSKESA-N 1 0 215.337 1.647 10 0 BDAERO COC[C@H](CC(C)C)[NH2+][C@H]1CCO[C@H]1C ZINC000336762010 386800669 /nfs/dbraw/zinc/80/06/69/386800669.db2.gz NJBXRWDBKZWRJT-SRVKXCTJSA-N 1 0 215.337 1.815 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1cnn(C(C)(C)C)c1 ZINC000334843942 386890743 /nfs/dbraw/zinc/89/07/43/386890743.db2.gz ROYWZPXKWITKIC-ZYHUDNBSSA-N 1 0 236.363 1.560 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCCc2c1cnn2C 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CC(C)OCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398807960 386998606 /nfs/dbraw/zinc/99/86/06/386998606.db2.gz UITVDXRDMMKAEB-AVGNSLFASA-N 1 0 227.348 1.504 10 0 BDAERO CC[C@H]1CS[C@]2(CCC[NH2+]CC2)N1 ZINC000575575804 387004928 /nfs/dbraw/zinc/00/49/28/387004928.db2.gz NTCSWBWHMKXVBZ-UWVGGRQHSA-N 1 0 200.351 1.571 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](S[C@H]2CCOC2)C1 ZINC000575575969 387005972 /nfs/dbraw/zinc/00/59/72/387005972.db2.gz OOIDOSMRSDKIPX-BBBLOLIVSA-N 1 0 201.335 1.778 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CCCCF)C[C@H]2C1 ZINC000398839922 387006874 /nfs/dbraw/zinc/00/68/74/387006874.db2.gz JVIQFGXIVLSGPL-IJLUTSLNSA-N 1 0 215.312 1.829 10 0 BDAERO Cc1cc(C)cc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000334820863 386949488 /nfs/dbraw/zinc/94/94/88/386949488.db2.gz NKISBKFFVWZSGZ-LSDHHAIUSA-N 1 0 246.354 1.476 10 0 BDAERO [NH3+][C@@H]1CO[C@H](c2cncc(Br)c2)C1 ZINC000575461411 387030860 /nfs/dbraw/zinc/03/08/60/387030860.db2.gz DYDYWGOGQIJPHT-IUCAKERBSA-N 1 0 243.104 1.633 10 0 BDAERO CC1CC[NH+](Cc2c[nH]c(=S)[nH]c2=O)CC1 ZINC000575421848 387030837 /nfs/dbraw/zinc/03/08/37/387030837.db2.gz GSUHXLMHEJDNSD-UHFFFAOYSA-N 1 0 239.344 1.703 10 0 BDAERO CN[C@@H](C[NH3+])c1ccsc1Br ZINC000575583868 387060383 /nfs/dbraw/zinc/06/03/83/387060383.db2.gz NCNWAUYZTHRASY-LURJTMIESA-N 1 0 235.150 1.730 10 0 BDAERO COC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398891498 387015907 /nfs/dbraw/zinc/01/59/07/387015907.db2.gz ZLLAPSNWSDJXPQ-FIQHERPVSA-N 1 0 213.321 1.114 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2C1 ZINC000398922146 387020075 /nfs/dbraw/zinc/02/00/75/387020075.db2.gz QTATXPLPJSKTGF-AAVRWANBSA-N 1 0 239.359 1.648 10 0 BDAERO C[NH2+][C@@H]1CCCN([C@@H]2CCSC2)C1 ZINC000053201502 387020710 /nfs/dbraw/zinc/02/07/10/387020710.db2.gz XYJOZXAYBIBOIM-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@H]1CN[C@]2(CCC[NH2+]CC2)SC1 ZINC000575576859 387028560 /nfs/dbraw/zinc/02/85/60/387028560.db2.gz VYPXHASEMWSMNY-VHSXEESVSA-N 1 0 200.351 1.429 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@H](COC)C2CC2)C1 ZINC000246382359 387081744 /nfs/dbraw/zinc/08/17/44/387081744.db2.gz JXNFIFMYFWDWHU-CHWSQXEVSA-N 1 0 226.364 1.485 10 0 BDAERO C(NC1=[NH+]CCCS1)C1SCCS1 ZINC000575468255 387082882 /nfs/dbraw/zinc/08/28/82/387082882.db2.gz HRKWEOATQYTZLJ-UHFFFAOYSA-N 1 0 234.415 1.875 10 0 BDAERO Cc1cc(C)n(C[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000070941862 387085208 /nfs/dbraw/zinc/08/52/08/387085208.db2.gz MLRYYCUDHBXEKW-ZDUSSCGKSA-N 1 0 237.347 1.609 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000336765385 387088195 /nfs/dbraw/zinc/08/81/95/387088195.db2.gz RAKROECEWQYRRM-VDTYLAMSSA-N 1 0 219.210 1.927 10 0 BDAERO CC[C@@H](C)CN1CCO[C@@H](c2noc(C)n2)C1 ZINC000363626081 387091950 /nfs/dbraw/zinc/09/19/50/387091950.db2.gz HDRLYPJEYIIFSS-MWLCHTKSSA-N 1 0 239.319 1.797 10 0 BDAERO CCOC(=O)CC[NH2+][C@H](C)c1cncc(F)c1 ZINC000228579008 387095059 /nfs/dbraw/zinc/09/50/59/387095059.db2.gz GMMKAPKRXLEGTA-SECBINFHSA-N 1 0 240.278 1.825 10 0 BDAERO [NH3+][C@@H]1CCCN(CC2SCCS2)C1 ZINC000575469987 387109836 /nfs/dbraw/zinc/10/98/36/387109836.db2.gz LOMALYCXGQNTLE-MRVPVSSYSA-N 1 0 218.391 1.216 10 0 BDAERO C[C@@]1(C[NH2+][C@@H]2CCCC[C@H]2O)CCOC1 ZINC000397232139 387110607 /nfs/dbraw/zinc/11/06/07/387110607.db2.gz RPWYKXOXIUOTCL-UTUOFQBUSA-N 1 0 213.321 1.306 10 0 BDAERO COc1cc([C@@H]([NH3+])CCF)cc(OC)c1O ZINC000575440054 387128068 /nfs/dbraw/zinc/12/80/68/387128068.db2.gz IBLIXMVKEZARIH-QMMMGPOBSA-N 1 0 229.251 1.769 10 0 BDAERO CC[C@@H](C)N(C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057870366 387144235 /nfs/dbraw/zinc/14/42/35/387144235.db2.gz XMYJYTADCLFMPL-NEPJUHHUSA-N 1 0 241.379 1.911 10 0 BDAERO C1C[C@H](S[C@@H]2CCC[NH2+]CC2)CO1 ZINC000575585903 387145602 /nfs/dbraw/zinc/14/56/02/387145602.db2.gz PGNMCVPMBVYPKO-ZJUUUORDSA-N 1 0 201.335 1.651 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1C[C@H]1C ZINC000322157120 387154352 /nfs/dbraw/zinc/15/43/52/387154352.db2.gz JGWZZXULPDUACR-LPWJVIDDSA-N 1 0 226.364 1.341 10 0 BDAERO CC[C@@H]1COC[C@]12[NH2+][C@@H](C)CCS2 ZINC000575481152 387174320 /nfs/dbraw/zinc/17/43/20/387174320.db2.gz NCANLMVQRFCUPV-IVZWLZJFSA-N 1 0 201.335 1.854 10 0 BDAERO CC[C@@H]1COC[C@@]12[NH2+]C[C@@H](C)CS2 ZINC000575479216 387176940 /nfs/dbraw/zinc/17/69/40/387176940.db2.gz CGUUBHOSHVZKKT-BBBLOLIVSA-N 1 0 201.335 1.712 10 0 BDAERO C[C@@H]1CCN1[C@]1(C[NH3+])CCS[C@H]1C ZINC000575589090 387186859 /nfs/dbraw/zinc/18/68/59/387186859.db2.gz GKQRHCAGWWNUFP-UTLUCORTSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@@H]1COC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000575483050 387187272 /nfs/dbraw/zinc/18/72/72/387187272.db2.gz FBALOSBAGPXOIK-PWSUYJOCSA-N 1 0 233.315 1.335 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(C)cc2)C1 ZINC000284472418 387203618 /nfs/dbraw/zinc/20/36/18/387203618.db2.gz DTFHEBLCNYGVOF-UONOGXRCSA-N 1 0 235.327 1.577 10 0 BDAERO O=C1C[C@H]2CCC[C@@H](CN1)[N@@H+]2Cc1ccccc1 ZINC000095642511 387227630 /nfs/dbraw/zinc/22/76/30/387227630.db2.gz FLAQNBAVKBCRBH-KGLIPLIRSA-N 1 0 244.338 1.930 10 0 BDAERO Cc1c(C[NH2+]C[C@H](O)CC(C)(C)C)cnn1C ZINC000229811445 387199022 /nfs/dbraw/zinc/19/90/22/387199022.db2.gz YLAIFSPCMHKSOF-GFCCVEGCSA-N 1 0 239.363 1.615 10 0 BDAERO C[C@@H]1C[N@H+](CC2CSC2)[C@H](C)CN1 ZINC000575490557 387257350 /nfs/dbraw/zinc/25/73/50/387257350.db2.gz PAJVXIXFHJQKBZ-RKDXNWHRSA-N 1 0 200.351 1.032 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1occc1Br ZINC000575492070 387276597 /nfs/dbraw/zinc/27/65/97/387276597.db2.gz TXCVNZDGCMRJQX-NJGYIYPDSA-N 1 0 220.066 1.423 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1(C2CC2)CC1 ZINC000643499380 387290056 /nfs/dbraw/zinc/29/00/56/387290056.db2.gz KKVATKAFYLLEGQ-ONGXEEELSA-N 1 0 222.332 1.433 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)[C@@H]1CCOC1 ZINC000392907987 387301720 /nfs/dbraw/zinc/30/17/20/387301720.db2.gz YHBFGWXUTBXCFU-WHOHXGKFSA-N 1 0 240.347 1.058 10 0 BDAERO CC[NH2+][C@@H]1CO[C@]2(CS[C@@H](C)C2)C1 ZINC000575511203 387383872 /nfs/dbraw/zinc/38/38/72/387383872.db2.gz NXOGICZFXZTTGC-GUBZILKMSA-N 1 0 201.335 1.649 10 0 BDAERO [NH3+][C@@H]1CO[C@H](c2cnn(Cc3ccccc3)c2)C1 ZINC000575507886 387368532 /nfs/dbraw/zinc/36/85/32/387368532.db2.gz JDLVUNFBYFTNOA-KBPBESRZSA-N 1 0 243.310 1.720 10 0 BDAERO [NH3+][C@H]1CO[C@@H](c2cnn(Cc3ccccc3)c2)C1 ZINC000575507918 387368606 /nfs/dbraw/zinc/36/86/06/387368606.db2.gz JDLVUNFBYFTNOA-ZIAGYGMSSA-N 1 0 243.310 1.720 10 0 BDAERO Cc1nc(C)c(CC2([NH3+])CSC2)s1 ZINC000575594909 387326183 /nfs/dbraw/zinc/32/61/83/387326183.db2.gz OMXOPVQGNNUFTB-UHFFFAOYSA-N 1 0 214.359 1.747 10 0 BDAERO CC[NH2+][C@@H]1CO[C@]2(CSC[C@H]2C)C1 ZINC000575511095 387382892 /nfs/dbraw/zinc/38/28/92/387382892.db2.gz MFFCRCZXWIQGAR-UTLUCORTSA-N 1 0 201.335 1.507 10 0 BDAERO C[C@@H]1CN[C@@]2(CC[NH2+][C@@H](C)C2)SC1 ZINC000575511374 387382902 /nfs/dbraw/zinc/38/29/02/387382902.db2.gz DHFSNLWNWWSTCG-UTLUCORTSA-N 1 0 200.351 1.427 10 0 BDAERO CC[NH2+][C@@H]1CO[C@]2(C1)CCCSC2 ZINC000575510900 387383221 /nfs/dbraw/zinc/38/32/21/387383221.db2.gz AGJMOMCDFKLQAY-UWVGGRQHSA-N 1 0 201.335 1.651 10 0 BDAERO COCC1(C[NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC000309806856 387347831 /nfs/dbraw/zinc/34/78/31/387347831.db2.gz XVYNWLPWVSGYBT-LLVKDONJSA-N 1 0 229.364 1.800 10 0 BDAERO C/C(=C/c1cc(Br)nn1C)C[NH3+] ZINC000575502026 387353327 /nfs/dbraw/zinc/35/33/27/387353327.db2.gz LYNHIVIVXWZIFH-UTCJRWHESA-N 1 0 230.109 1.545 10 0 BDAERO [NH3+]C[C@@H]1CN(C(=O)C(F)(F)F)CC12CCC2 ZINC000575518139 387435803 /nfs/dbraw/zinc/43/58/03/387435803.db2.gz LZJLYPACJDJPBT-SSDOTTSWSA-N 1 0 236.237 1.136 10 0 BDAERO C[N@H+](CCOC(C)(C)C)[C@@H]1CCC[C@@H]1O ZINC000352699036 387443341 /nfs/dbraw/zinc/44/33/41/387443341.db2.gz OCJSBYCUCFTWPJ-MNOVXSKESA-N 1 0 215.337 1.647 10 0 BDAERO CCOc1cc(C[NH3+])cc(OCC)c1OC ZINC000575721783 387444384 /nfs/dbraw/zinc/44/43/84/387444384.db2.gz UEYZABIXPWLSJO-UHFFFAOYSA-N 1 0 225.288 1.951 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000226330750 387447701 /nfs/dbraw/zinc/44/77/01/387447701.db2.gz LFANPFXGWNFEHQ-LOWDOPEQSA-N 1 0 236.359 1.905 10 0 BDAERO C[C@H]1CC[N@H+](C[C@H]2CNCCS2)C1 ZINC000575523945 387456903 /nfs/dbraw/zinc/45/69/03/387456903.db2.gz ZRYHGSOSBPGGFU-VHSXEESVSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCCO2)S1 ZINC000575523683 387457516 /nfs/dbraw/zinc/45/75/16/387457516.db2.gz VFYWQBQGIRKEOU-KXUCPTDWSA-N 1 0 201.335 1.997 10 0 BDAERO O[C@@]1([C@@H]2CCC[NH2+]2)CCCSCC1 ZINC000575513280 387385935 /nfs/dbraw/zinc/38/59/35/387385935.db2.gz LJZVUEHPLMQGMJ-UWVGGRQHSA-N 1 0 201.335 1.387 10 0 BDAERO Cc1occc1C[NH2+]CC1(O)CCOCC1 ZINC000321520481 387390003 /nfs/dbraw/zinc/39/00/03/387390003.db2.gz OBKJXWQVUKNBGQ-UHFFFAOYSA-N 1 0 225.288 1.219 10 0 BDAERO CC[C@@H]1C[C@H](NC2=[NH+]CCS2)CO1 ZINC000575508974 387391438 /nfs/dbraw/zinc/39/14/38/387391438.db2.gz LBZPCWIUBBECCU-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO C[NH2+][C@@H]1CO[C@@]2(C1)CC[C@H](C)SC2 ZINC000575509299 387392745 /nfs/dbraw/zinc/39/27/45/387392745.db2.gz WGMSOKPCGYTYLJ-LPEHRKFASA-N 1 0 201.335 1.649 10 0 BDAERO Cc1ccc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)cc1 ZINC000584623680 387502582 /nfs/dbraw/zinc/50/25/82/387502582.db2.gz GMPAWOLBJJWPIV-OKILXGFUSA-N 1 0 235.327 1.313 10 0 BDAERO C[NH+](C)C[C@@H]1CN(C/C=C/Cl)CCO1 ZINC000105927243 387527606 /nfs/dbraw/zinc/52/76/06/387527606.db2.gz OKDQNGHQRGYQHM-HMDXOVGESA-N 1 0 218.728 1.001 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2CCC2(O)CCC2)cn1 ZINC000396760149 387488643 /nfs/dbraw/zinc/48/86/43/387488643.db2.gz INUXHGBMGMHRQP-ZDUSSCGKSA-N 1 0 249.358 1.862 10 0 BDAERO C[NH2+][C@H](CO)c1ccsc1Br ZINC000575541837 387596715 /nfs/dbraw/zinc/59/67/15/387596715.db2.gz KUGFWWSFJKZPGF-ZCFIWIBFSA-N 1 0 236.134 1.763 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000124106118 387605528 /nfs/dbraw/zinc/60/55/28/387605528.db2.gz CRHAVRLUMUVYKF-OLZOCXBDSA-N 1 0 248.374 1.406 10 0 BDAERO Cc1cc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)ccn1 ZINC000527540713 387610575 /nfs/dbraw/zinc/61/05/75/387610575.db2.gz VFNMIPKOISSYNL-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO C[C@@H]1CS[C@](C)(C[C@H]2CCCO2)[NH2+]1 ZINC000575530669 387551477 /nfs/dbraw/zinc/55/14/77/387551477.db2.gz FFMNTFFMWHPTQM-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO CNC(=[NH2+])N(C)[C@H]1CC[C@@H](C)SC1 ZINC000575534351 387556339 /nfs/dbraw/zinc/55/63/39/387556339.db2.gz IVRZDXCEOFFWQX-SFYZADRCSA-N 1 0 201.339 1.356 10 0 BDAERO COc1ccc(C2([NH3+])CSC2)s1 ZINC000575549470 387648589 /nfs/dbraw/zinc/64/85/89/387648589.db2.gz KWGBEGJXPGDRSB-UHFFFAOYSA-N 1 0 201.316 1.658 10 0 BDAERO O[C@H](c1cccnc1Br)C1C[NH2+]C1 ZINC000575551435 387649662 /nfs/dbraw/zinc/64/96/62/387649662.db2.gz YWUJBKSUWAUOTD-QMMMGPOBSA-N 1 0 243.104 1.097 10 0 BDAERO [NH3+][C@]1(c2ccns2)CCCSC1 ZINC000575553953 387657278 /nfs/dbraw/zinc/65/72/78/387657278.db2.gz BWKMUNXCMKEZOD-MRVPVSSYSA-N 1 0 200.332 1.824 10 0 BDAERO [NH3+][C@]1(C[C@H]2CCCOC2)CCSC1 ZINC000575558231 387696393 /nfs/dbraw/zinc/69/63/93/387696393.db2.gz WVWOYRVWBHAMMK-ZJUUUORDSA-N 1 0 201.335 1.638 10 0 BDAERO C[C@H]1C[C@@]([NH3+])(Cc2ccns2)CS1 ZINC000575573063 387754189 /nfs/dbraw/zinc/75/41/89/387754189.db2.gz SGLMFPZWGYDCSD-IONNQARKSA-N 1 0 214.359 1.909 10 0 BDAERO COC[C@H](CCO)[NH2+]CC1CCC(C)CC1 ZINC000127344102 387712393 /nfs/dbraw/zinc/71/23/93/387712393.db2.gz JJGCAHSQFRJYEM-BPCQOVAHSA-N 1 0 229.364 1.800 10 0 BDAERO Cc1nc(C[C@]2([NH3+])CCSC2)cs1 ZINC000575567008 387733364 /nfs/dbraw/zinc/73/33/64/387733364.db2.gz WQEMOVQDIHPZTF-SECBINFHSA-N 1 0 214.359 1.828 10 0 BDAERO C[C@@H]1C[C@]([NH3+])(c2ccns2)CS1 ZINC000575570648 387739231 /nfs/dbraw/zinc/73/92/31/387739231.db2.gz HOPRROMWZYEDQB-HTRCEHHLSA-N 1 0 200.332 1.823 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000050393852 387794090 /nfs/dbraw/zinc/79/40/90/387794090.db2.gz VFYPIWRKUIAOOS-LLVKDONJSA-N 1 0 222.263 1.194 10 0 BDAERO O=C(Nc1cc(Cl)ccn1)[C@H]1CCC[NH2+]C1 ZINC000236047541 387873504 /nfs/dbraw/zinc/87/35/04/387873504.db2.gz NFPCSRQDALZUFT-QMMMGPOBSA-N 1 0 239.706 1.673 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1O ZINC000061882942 387847100 /nfs/dbraw/zinc/84/71/00/387847100.db2.gz KNMRUANSCYYYPF-KOLCDFICSA-N 1 0 234.299 1.249 10 0 BDAERO C(CN[C@@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000423035449 387851151 /nfs/dbraw/zinc/85/11/51/387851151.db2.gz JMQOXNJUHGTQBC-VXGBXAGGSA-N 1 0 212.337 1.287 10 0 BDAERO CCc1nnc(C[N@H+](C)C(C2CC2)C2CC2)n1C ZINC000195122458 387908467 /nfs/dbraw/zinc/90/84/67/387908467.db2.gz DRIIZCLNMIUDGO-UHFFFAOYSA-N 1 0 248.374 1.998 10 0 BDAERO CO[C@@H](C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000195449179 387916627 /nfs/dbraw/zinc/91/66/27/387916627.db2.gz JGTRWKPPGQJGJT-NSHDSACASA-N 1 0 240.347 1.108 10 0 BDAERO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CN(C)CCO2)C1 ZINC000245436671 387945194 /nfs/dbraw/zinc/94/51/94/387945194.db2.gz DKXGCHYITZKIOY-MCIONIFRSA-N 1 0 240.391 1.733 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC000245427200 387945997 /nfs/dbraw/zinc/94/59/97/387945997.db2.gz HAKMXWYGWDELAQ-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC000245476375 387949413 /nfs/dbraw/zinc/94/94/13/387949413.db2.gz SSQHXCUQJUBJCM-DGCLKSJQSA-N 1 0 238.375 1.975 10 0 BDAERO Cc1cnc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000245603663 387965452 /nfs/dbraw/zinc/96/54/52/387965452.db2.gz JOIGJWMUDGLUHY-NSHDSACASA-N 1 0 218.304 1.069 10 0 BDAERO c1cn(CCC[N@@H+]2CCN3CCCC[C@H]3C2)cn1 ZINC000245645108 387968860 /nfs/dbraw/zinc/96/88/60/387968860.db2.gz FNBJXDUATUOKJL-AWEZNQCLSA-N 1 0 248.374 1.443 10 0 BDAERO C1CC([N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000245641686 387969845 /nfs/dbraw/zinc/96/98/45/387969845.db2.gz YSRVMHXGJYNKQK-NEPJUHHUSA-N 1 0 211.305 1.419 10 0 BDAERO C[C@H]1C[N@H+](CC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000245791376 387983741 /nfs/dbraw/zinc/98/37/41/387983741.db2.gz WDCYBXLMCCXPKX-QWHCGFSZSA-N 1 0 240.391 1.685 10 0 BDAERO CC[C@@H]([NH3+])c1nc2c(s1)CN(C)CC2 ZINC000041059265 387984966 /nfs/dbraw/zinc/98/49/66/387984966.db2.gz KGONCQJJNGPCTH-SSDOTTSWSA-N 1 0 211.334 1.541 10 0 BDAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2cccn2C)C1 ZINC000246289664 388028177 /nfs/dbraw/zinc/02/81/77/388028177.db2.gz UJYMCSMVJPYRTK-TZMCWYRMSA-N 1 0 235.375 1.843 10 0 BDAERO COC(=O)CCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000083705004 388061087 /nfs/dbraw/zinc/06/10/87/388061087.db2.gz WPBZPUXPTMIBIN-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO CN(C)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085630350 388093251 /nfs/dbraw/zinc/09/32/51/388093251.db2.gz ZDHITQDWNVBIEG-TUAOUCFPSA-N 1 0 240.391 1.730 10 0 BDAERO CC(C)[C@@H]([NH3+])[C@@H](O)c1ccc(F)c(F)c1 ZINC000071519243 388097349 /nfs/dbraw/zinc/09/73/49/388097349.db2.gz QGCJHMBSJAFJOP-MNOVXSKESA-N 1 0 215.243 1.982 10 0 BDAERO CCOCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000086491043 388103238 /nfs/dbraw/zinc/10/32/38/388103238.db2.gz JXCLXAPWLHQXBM-QWHCGFSZSA-N 1 0 226.364 1.582 10 0 BDAERO CCC[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086933232 388110885 /nfs/dbraw/zinc/11/08/85/388110885.db2.gz SYRDMEKQPULCEB-AVGNSLFASA-N 1 0 226.364 1.316 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000521399068 256514927 /nfs/dbraw/zinc/51/49/27/256514927.db2.gz XLKQNJITZONLDY-JOYOIKCWSA-N 1 0 226.320 1.735 10 0 BDAERO Cc1nc(=O)c2ccccc2n1C1=CC[NH2+]CC1 ZINC000013566716 388168241 /nfs/dbraw/zinc/16/82/41/388168241.db2.gz CGTVCANXVPFTMS-UHFFFAOYSA-N 1 0 241.294 1.539 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccon1 ZINC000646057698 388134707 /nfs/dbraw/zinc/13/47/07/388134707.db2.gz JYNRVHGUBSUNOS-JTQLQIEISA-N 1 0 225.292 1.006 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC000491953671 388329369 /nfs/dbraw/zinc/32/93/69/388329369.db2.gz KUDHINSJAQQPNT-MEJMFZKBSA-N 1 0 247.342 1.628 10 0 BDAERO CC[C@@H](C)CN(CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233854979 388349320 /nfs/dbraw/zinc/34/93/20/388349320.db2.gz OKMJPOSKRVVRSF-IJLUTSLNSA-N 1 0 226.364 1.737 10 0 BDAERO NC(=[NH2+])NCc1cc2cscc2s1 ZINC000575522859 388358716 /nfs/dbraw/zinc/35/87/16/388358716.db2.gz KBQQFPGGXVMWIS-UHFFFAOYSA-N 1 0 211.315 1.946 10 0 BDAERO Cc1ccc(F)cc1C[NH2+]CC1CC(O)C1 ZINC000163795283 388367922 /nfs/dbraw/zinc/36/79/22/388367922.db2.gz WYFUUVVOVYMSPD-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO C[C@H]1CN(C(=O)CC2CCSCC2)C[C@H]1[NH3+] ZINC000235653001 388374770 /nfs/dbraw/zinc/37/47/70/388374770.db2.gz KBOBDEXJDBBPFQ-GXSJLCMTSA-N 1 0 242.388 1.325 10 0 BDAERO CC(C)=CC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000238135441 388400029 /nfs/dbraw/zinc/40/00/29/388400029.db2.gz MYQCUGYVRJWPHW-RTCCRHLQSA-N 1 0 208.305 1.433 10 0 BDAERO C[C@H]1C[N@H+](C[C@H]2CCCO2)CCS1 ZINC000246184222 388440172 /nfs/dbraw/zinc/44/01/72/388440172.db2.gz VDSYMAMFSSPZBA-VHSXEESVSA-N 1 0 201.335 1.603 10 0 BDAERO Cc1cc(C(F)(F)F)nc([C@@H](C)[NH3+])n1 ZINC000070947692 388441310 /nfs/dbraw/zinc/44/13/10/388441310.db2.gz WYDMADBBIZARRJ-RXMQYKEDSA-N 1 0 205.183 1.824 10 0 BDAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000336906551 388442352 /nfs/dbraw/zinc/44/23/52/388442352.db2.gz XYRONSLWTGZGKW-QWRGUYRKSA-N 1 0 245.363 1.320 10 0 BDAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000393835770 388443666 /nfs/dbraw/zinc/44/36/66/388443666.db2.gz ODTQRYQRTOAUTJ-AXFHLTTASA-N 1 0 228.405 1.988 10 0 BDAERO Cc1ccc(CN[C@@H]2CCC[NH2+][C@H]2C)nc1 ZINC000334818858 388447533 /nfs/dbraw/zinc/44/75/33/388447533.db2.gz GZTJSDBQZALGMO-WCQYABFASA-N 1 0 219.332 1.620 10 0 BDAERO CCCCNC(=O)Nc1ncccc1C[NH3+] ZINC000322870558 388449391 /nfs/dbraw/zinc/44/93/91/388449391.db2.gz PUVBKOYFWHEUJI-UHFFFAOYSA-N 1 0 222.292 1.462 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cn1 ZINC000336610739 388458827 /nfs/dbraw/zinc/45/88/27/388458827.db2.gz ZGKKZSUCYBOYEX-PWSUYJOCSA-N 1 0 233.315 1.147 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)C ZINC000082949350 256750101 /nfs/dbraw/zinc/75/01/01/256750101.db2.gz JOJXIZGFYNPMLN-YFKTTZPYSA-N 1 0 226.364 1.340 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC(=O)O2)[C@@H](C)C1 ZINC000309825566 388465855 /nfs/dbraw/zinc/46/58/55/388465855.db2.gz XIFKHKVLZSZAOY-YTWAJWBKSA-N 1 0 226.320 1.509 10 0 BDAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccnc(OC)n1 ZINC000295653571 388413324 /nfs/dbraw/zinc/41/33/24/388413324.db2.gz IZARJFYCEYQMPK-GXSJLCMTSA-N 1 0 221.304 1.763 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2CCCSC2)c1 ZINC000134810521 388479291 /nfs/dbraw/zinc/47/92/91/388479291.db2.gz DVYHPFRZSVHUNI-NSHDSACASA-N 1 0 225.361 1.677 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCCF)C[C@H]2C1 ZINC000307483698 388423586 /nfs/dbraw/zinc/42/35/86/388423586.db2.gz AVCYAXOJAYKPCH-HBNTYKKESA-N 1 0 201.285 1.439 10 0 BDAERO C[NH2+][C@@H]1CC[S@](=O)c2ccc(C)cc21 ZINC000040974986 388429966 /nfs/dbraw/zinc/42/99/66/388429966.db2.gz TULKRGWUEZOQTA-QMTHXVAHSA-N 1 0 209.314 1.767 10 0 BDAERO Cc1cc(C)c2c(c1)[C@@H]([NH3+])CC[S@@]2=O ZINC000040974544 388430001 /nfs/dbraw/zinc/43/00/01/388430001.db2.gz OUZRLWPGJJULCC-IINYFYTJSA-N 1 0 209.314 1.815 10 0 BDAERO [NH3+]CC[S@](=O)c1ccc(Cl)cc1 ZINC000040954687 388430026 /nfs/dbraw/zinc/43/00/26/388430026.db2.gz BUGPWSUTRKSORJ-GFCCVEGCSA-N 1 0 203.694 1.406 10 0 BDAERO [NH3+]CC[S@](=O)c1ccc(F)c(F)c1 ZINC000040954870 388430171 /nfs/dbraw/zinc/43/01/71/388430171.db2.gz LJTKGSDHPSPCSL-CYBMUJFWSA-N 1 0 205.229 1.031 10 0 BDAERO Cc1c(CN[C@@H](C)C[N@H+](C)C(C)C)cnn1C ZINC000353100516 388540720 /nfs/dbraw/zinc/54/07/20/388540720.db2.gz ZESBSOHECAGBFH-NSHDSACASA-N 1 0 238.379 1.547 10 0 BDAERO COc1c(C[NH2+]CC[C@@H](C)F)c(C)nn1C ZINC000339485351 388483523 /nfs/dbraw/zinc/48/35/23/388483523.db2.gz OLYZLOZIPUGHQH-MRVPVSSYSA-N 1 0 229.299 1.575 10 0 BDAERO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@H]1CC1(C)C ZINC000397637146 388484939 /nfs/dbraw/zinc/48/49/39/388484939.db2.gz PYDOOPLJBSHPCJ-AXFHLTTASA-N 1 0 226.364 1.877 10 0 BDAERO CC(C)C1([NH2+][C@H](C)c2nncn2C)CC1 ZINC000339520707 388485436 /nfs/dbraw/zinc/48/54/36/388485436.db2.gz ZWOFDCSMSMOWEG-SECBINFHSA-N 1 0 208.309 1.654 10 0 BDAERO CC1(C)OCC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000378709006 388487898 /nfs/dbraw/zinc/48/78/98/388487898.db2.gz RRTOUTGSHRSVSK-AXFHLTTASA-N 1 0 213.321 1.447 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(C)cc2)C1 ZINC000343969548 388503494 /nfs/dbraw/zinc/50/34/94/388503494.db2.gz DTFHEBLCNYGVOF-KBPBESRZSA-N 1 0 235.327 1.577 10 0 BDAERO CCc1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2CO)cc1 ZINC000344098785 388504794 /nfs/dbraw/zinc/50/47/94/388504794.db2.gz HNHDUSPQVXBQHQ-GJZGRUSLSA-N 1 0 249.354 1.831 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000344112634 388505007 /nfs/dbraw/zinc/50/50/07/388505007.db2.gz LUTBSCLSYITYRL-HUUCEWRRSA-N 1 0 249.354 1.885 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000348187073 388526709 /nfs/dbraw/zinc/52/67/09/388526709.db2.gz GEOBEAKCCJHPKI-KXNHARMFSA-N 1 0 213.321 1.569 10 0 BDAERO C[C@H]([NH3+])C(=O)c1ccccc1Br ZINC000082351160 388587184 /nfs/dbraw/zinc/58/71/84/388587184.db2.gz GCRRWDZIWFGZRW-LURJTMIESA-N 1 0 228.089 1.979 10 0 BDAERO CCc1ccc(C[NH2+][C@@H](C)COC)nc1 ZINC000379135602 388588868 /nfs/dbraw/zinc/58/88/68/388588868.db2.gz QPQPTVILKADWEO-JTQLQIEISA-N 1 0 208.305 1.769 10 0 BDAERO [NH3+][C@H](CNc1ccnc2cccnc21)C1CC1 ZINC000379147225 388590863 /nfs/dbraw/zinc/59/08/63/388590863.db2.gz DFXVHZFPRGMJBR-SNVBAGLBSA-N 1 0 228.299 1.201 10 0 BDAERO CC[C@H]1C[N@@H+](C2CCCC2)CCN1C[C@H](C)O ZINC000245595271 388592799 /nfs/dbraw/zinc/59/27/99/388592799.db2.gz HIMCSBQYXMNUCG-STQMWFEESA-N 1 0 240.391 1.706 10 0 BDAERO COC[C@](C)([NH3+])c1cc(F)ccc1F ZINC000055242864 388597248 /nfs/dbraw/zinc/59/72/48/388597248.db2.gz NARITBGZXNQXGK-JTQLQIEISA-N 1 0 201.216 1.785 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)O1 ZINC000245947158 388611419 /nfs/dbraw/zinc/61/14/19/388611419.db2.gz UUTLZKCXBOWRKX-DDHJBXDOSA-N 1 0 240.347 1.105 10 0 BDAERO CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248373717 388676770 /nfs/dbraw/zinc/67/67/70/388676770.db2.gz KVTVDNFIHOOZKN-AGIUHOORSA-N 1 0 226.364 1.437 10 0 BDAERO CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246139717 388618582 /nfs/dbraw/zinc/61/85/82/388618582.db2.gz ATJODDRNHUPVEZ-ZJUUUORDSA-N 1 0 213.325 1.034 10 0 BDAERO C[C@H]1C[C@H]([S@](=O)CC[NH3+])C[C@@H](C)C1 ZINC000252141128 388623167 /nfs/dbraw/zinc/62/31/67/388623167.db2.gz NFOZHMUGGHMDRK-KEPMVKOISA-N 1 0 203.351 1.519 10 0 BDAERO CCC[C@H](CN[C@H]1CC[NH2+]C1)OCC ZINC000530207322 388626496 /nfs/dbraw/zinc/62/64/96/388626496.db2.gz DDUJOKFSRVVSCN-WDEREUQCSA-N 1 0 200.326 1.143 10 0 BDAERO CCC[C@H](CN[C@@H]1CC[NH2+]C1)OCC ZINC000530207316 388626877 /nfs/dbraw/zinc/62/68/77/388626877.db2.gz DDUJOKFSRVVSCN-GHMZBOCLSA-N 1 0 200.326 1.143 10 0 BDAERO CC(C)N(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246321616 388629848 /nfs/dbraw/zinc/62/98/48/388629848.db2.gz FMLRUTHDBKWAPX-NWDGAFQWSA-N 1 0 241.379 1.765 10 0 BDAERO Cn1cc(CN(C[C@H]2CCC[NH2+]2)C2CC2)cn1 ZINC000328629917 388740101 /nfs/dbraw/zinc/74/01/01/388740101.db2.gz ITYBOVKCMYELAX-GFCCVEGCSA-N 1 0 234.347 1.137 10 0 BDAERO C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000037716951 388697236 /nfs/dbraw/zinc/69/72/36/388697236.db2.gz HTXDJNVEWZIMNM-UHFFFAOYSA-N 1 0 209.264 1.739 10 0 BDAERO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CC(O)C1 ZINC000091525404 388764572 /nfs/dbraw/zinc/76/45/72/388764572.db2.gz IZXOLWRWRPBUMN-CBINBANVSA-N 1 0 235.331 1.158 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2COC[C@H]2C)S1 ZINC000575481695 388863603 /nfs/dbraw/zinc/86/36/03/388863603.db2.gz AIORACKOKQQQPZ-BWZBUEFSSA-N 1 0 200.307 1.102 10 0 BDAERO C[C@@H](NC(=O)C1CC(C)C1)[C@H]1CCC[NH2+]C1 ZINC000565593243 388956263 /nfs/dbraw/zinc/95/62/63/388956263.db2.gz GUWLAJANVLHXQU-UPOSSJBDSA-N 1 0 224.348 1.537 10 0 BDAERO C[C@]1(c2cncc(Br)c2)C[C@H]1[NH3+] ZINC000575499500 388989849 /nfs/dbraw/zinc/98/98/49/388989849.db2.gz LWGCTAAMEHWFKX-RKDXNWHRSA-N 1 0 227.105 1.833 10 0 BDAERO C[C@H]1[NH2+]CC[C@@H]1c1cc(Br)nn1C ZINC000575502937 388990622 /nfs/dbraw/zinc/99/06/22/388990622.db2.gz ZJRWAUXUEDWHMW-RQJHMYQMSA-N 1 0 244.136 1.648 10 0 BDAERO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C)C2)cnn1C ZINC000061988858 177633665 /nfs/dbraw/zinc/63/36/65/177633665.db2.gz CLIDCKWCTHQGFQ-GXSJLCMTSA-N 1 0 222.336 1.083 10 0 BDAERO C[C@@H]1CN(c2ccc(Cl)c(C[NH3+])n2)CCO1 ZINC000051396227 132359946 /nfs/dbraw/zinc/35/99/46/132359946.db2.gz KDUYAWZYGVCKNQ-MRVPVSSYSA-N 1 0 241.722 1.419 10 0 BDAERO CCN(C)C(=O)CN(C)Cc1cccc(C[NH3+])c1 ZINC000037223150 169668362 /nfs/dbraw/zinc/66/83/62/169668362.db2.gz WSRRPBYSOYVPHN-UHFFFAOYSA-N 1 0 249.358 1.055 10 0 BDAERO CCN(C)C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055146690 169688696 /nfs/dbraw/zinc/68/86/96/169688696.db2.gz KLZJSABDUWWERK-GHMZBOCLSA-N 1 0 212.337 1.620 10 0 BDAERO CCN(C)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000043819940 169712435 /nfs/dbraw/zinc/71/24/35/169712435.db2.gz UYFYNYMDLSVHBO-OLZOCXBDSA-N 1 0 204.317 1.824 10 0 BDAERO C[C@H](CCc1ccco1)[NH2+]CC1CC(O)C1 ZINC000084446672 322835671 /nfs/dbraw/zinc/83/56/71/322835671.db2.gz HEUKHHNMAUIMAL-VOMCLLRMSA-N 1 0 223.316 1.961 10 0 BDAERO Cc1cnc(C)c(N2CCC(C[NH3+])CC2)n1 ZINC000044514668 132224860 /nfs/dbraw/zinc/22/48/60/132224860.db2.gz VVXKHCXYSZPIJF-UHFFFAOYSA-N 1 0 220.320 1.269 10 0 BDAERO Cc1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])nc(C)n1 ZINC000070178358 132230222 /nfs/dbraw/zinc/23/02/22/132230222.db2.gz CBTHQLFKKDOPOO-SKDRFNHKSA-N 1 0 234.347 1.657 10 0 BDAERO CC(C)(C)c1cccc(N2CC[NH2+]CC2)n1 ZINC000028244434 132312011 /nfs/dbraw/zinc/31/20/11/132312011.db2.gz MGIBIXZNOXABAN-UHFFFAOYSA-N 1 0 219.332 1.789 10 0 BDAERO Nc1ccc(N2CC[NH+](CC3CC3)CC2)nc1 ZINC000011569057 132319636 /nfs/dbraw/zinc/31/96/36/132319636.db2.gz UWNFLNBLMWZCRT-UHFFFAOYSA-N 1 0 232.331 1.196 10 0 BDAERO CCCC[NH+]1CCN(c2ccc(N)cn2)CC1 ZINC000011569052 132319753 /nfs/dbraw/zinc/31/97/53/132319753.db2.gz JQJLATILGGTSBS-UHFFFAOYSA-N 1 0 234.347 1.586 10 0 BDAERO c1cc2cccc(N3CC[NH2+]CC3)c2[nH]1 ZINC000013741466 132322359 /nfs/dbraw/zinc/32/23/59/132322359.db2.gz XKDAUEWDPSMDGG-UHFFFAOYSA-N 1 0 201.273 1.578 10 0 BDAERO CC(C)(C)[C@H]([NH3+])CN1c2ccccc2OCC1=O ZINC000019265651 132324297 /nfs/dbraw/zinc/32/42/97/132324297.db2.gz MSMRIPUHGISAFZ-GFCCVEGCSA-N 1 0 248.326 1.785 10 0 BDAERO C[C@@H](C(N)=S)[NH+]1CCN(c2ccccc2)CC1 ZINC000019935822 132328878 /nfs/dbraw/zinc/32/88/78/132328878.db2.gz HFAFGQKHNWLORE-NSHDSACASA-N 1 0 249.383 1.483 10 0 BDAERO [NH3+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000020469563 132331841 /nfs/dbraw/zinc/33/18/41/132331841.db2.gz PFTTZEYIMGIDGP-UHFFFAOYSA-N 1 0 226.707 1.635 10 0 BDAERO [NH3+]Cc1c(Cl)cccc1N1CCC(O)CC1 ZINC000020469719 132331845 /nfs/dbraw/zinc/33/18/45/132331845.db2.gz KIAKOZFUHCNAAW-UHFFFAOYSA-N 1 0 240.734 1.760 10 0 BDAERO O=C1Nc2cccc(Cl)c2N2CC[NH2+]C[C@H]12 ZINC000026150866 132333561 /nfs/dbraw/zinc/33/35/61/132333561.db2.gz ZOAVGEYDKIJWOH-SECBINFHSA-N 1 0 237.690 1.070 10 0 BDAERO c1cncc(N2CCC[C@@]3(CC[NH2+]3)C2)c1 ZINC000038762044 132334575 /nfs/dbraw/zinc/33/45/75/132334575.db2.gz AIVFAXQOZFMBES-GFCCVEGCSA-N 1 0 203.289 1.414 10 0 BDAERO CCCC[NH+]1CCN(c2ccc(N)nc2)CC1 ZINC000035367753 132338134 /nfs/dbraw/zinc/33/81/34/132338134.db2.gz BXLJKFFGCNFTJG-UHFFFAOYSA-N 1 0 234.347 1.586 10 0 BDAERO CC[C@@H]1CCCN(c2ncccc2C(N)=[NH2+])C1 ZINC000036169772 132340361 /nfs/dbraw/zinc/34/03/61/132340361.db2.gz LESRUSHZFAHJDR-SNVBAGLBSA-N 1 0 232.331 1.992 10 0 BDAERO CC[NH+]1CCN(c2nccc(C)c2N)CC1 ZINC000036245167 132341257 /nfs/dbraw/zinc/34/12/57/132341257.db2.gz DWJVXTWOHWBBSZ-UHFFFAOYSA-N 1 0 220.320 1.114 10 0 BDAERO C[C@H](C[NH3+])CN1c2ccccc2OCC1=O ZINC000036677895 132342287 /nfs/dbraw/zinc/34/22/87/132342287.db2.gz LLVKUOVAKGCFMC-SECBINFHSA-N 1 0 220.272 1.007 10 0 BDAERO C[C@H]1CN(c2ccccc2C(N)=[NH2+])C[C@H](C)O1 ZINC000037116013 132343749 /nfs/dbraw/zinc/34/37/49/132343749.db2.gz SSPZEPIHFIUFBS-UWVGGRQHSA-N 1 0 233.315 1.584 10 0 BDAERO C[NH2+]C1CCN(c2nc(C)cc(C)n2)CC1 ZINC000037469393 132344407 /nfs/dbraw/zinc/34/44/07/132344407.db2.gz KSEQTMXUWIBWNW-UHFFFAOYSA-N 1 0 220.320 1.282 10 0 BDAERO CCc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])nc(C)n1 ZINC000234156601 132344688 /nfs/dbraw/zinc/34/46/88/132344688.db2.gz FGIJBMOROSHGLO-GXFFZTMASA-N 1 0 248.374 1.911 10 0 BDAERO CC[C@@H]1CN(c2ccccc2C[NH3+])CCO1 ZINC000037504495 132344706 /nfs/dbraw/zinc/34/47/06/132344706.db2.gz RVRZKFMINYZULI-GFCCVEGCSA-N 1 0 220.316 1.761 10 0 BDAERO Cc1cc(F)ccc1N1CC[NH2+]C[C@H]1C ZINC000038235053 132346123 /nfs/dbraw/zinc/34/61/23/132346123.db2.gz RGWQRXKXSCWRNK-SNVBAGLBSA-N 1 0 208.280 1.932 10 0 BDAERO Cc1ccc(F)c(N2CC[NH2+]C[C@@H]2C)c1 ZINC000038235051 132346142 /nfs/dbraw/zinc/34/61/42/132346142.db2.gz MBYDXRIFXQANNA-JTQLQIEISA-N 1 0 208.280 1.932 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040431800 132347727 /nfs/dbraw/zinc/34/77/27/132347727.db2.gz WYYOYWWJTSGFQN-HUUCEWRRSA-N 1 0 245.370 1.688 10 0 BDAERO C[NH+](C)CC1CCN(c2ccc(N)nc2)CC1 ZINC000042392979 132351204 /nfs/dbraw/zinc/35/12/04/132351204.db2.gz ATFKEGRHFXTITM-UHFFFAOYSA-N 1 0 234.347 1.442 10 0 BDAERO CCO[C@H]1CCCN(c2cc(C(N)=[NH2+])ccn2)C1 ZINC000042422635 132351788 /nfs/dbraw/zinc/35/17/88/132351788.db2.gz RLTZOCKUMAJRBO-NSHDSACASA-N 1 0 248.330 1.371 10 0 BDAERO CCc1cc(N2CCC[C@H](C[NH3+])C2)ncn1 ZINC000044532164 132354489 /nfs/dbraw/zinc/35/44/89/132354489.db2.gz BKKQRJRDGXNVLW-SNVBAGLBSA-N 1 0 220.320 1.214 10 0 BDAERO COCc1cccc(N2CCC([NH3+])CC2)c1 ZINC000049508949 132355907 /nfs/dbraw/zinc/35/59/07/132355907.db2.gz CMWAZBHXIDATKT-UHFFFAOYSA-N 1 0 220.316 1.761 10 0 BDAERO [NH3+]CCCCCN1c2ccccc2OCC1=O ZINC000049581970 132356204 /nfs/dbraw/zinc/35/62/04/132356204.db2.gz PTQIPOOPHVGJHZ-UHFFFAOYSA-N 1 0 234.299 1.541 10 0 BDAERO C[C@@H]1CN(c2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000049693940 132356523 /nfs/dbraw/zinc/35/65/23/132356523.db2.gz HTIZBHABHVVGRB-SKDRFNHKSA-N 1 0 208.280 1.999 10 0 BDAERO Cc1cc(CO)ccc1N1CC[NH+](C2CC2)CC1 ZINC000050561058 132359137 /nfs/dbraw/zinc/35/91/37/132359137.db2.gz JFIRVRDGWWXZOG-UHFFFAOYSA-N 1 0 246.354 1.772 10 0 BDAERO C[C@H]1CCCCN1c1cccc(C[NH3+])n1 ZINC000051396138 132360049 /nfs/dbraw/zinc/36/00/49/132360049.db2.gz FVJUWTXJWQLZIJ-JTQLQIEISA-N 1 0 205.305 1.919 10 0 BDAERO Cc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc1 ZINC000053711464 132363316 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/nfs/dbraw/zinc/42/94/30/132429430.db2.gz MCVWINAOPYLJBJ-MRVPVSSYSA-N 1 0 226.711 1.305 10 0 BDAERO CC(C)(C)CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000157950237 133494760 /nfs/dbraw/zinc/49/47/60/133494760.db2.gz ZRHWNXKMBFGRAQ-NXEZZACHSA-N 1 0 212.337 1.666 10 0 BDAERO C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1C)C(C)(C)C ZINC000082628560 133504168 /nfs/dbraw/zinc/50/41/68/133504168.db2.gz NYDLKWWMBXDXJF-WDEREUQCSA-N 1 0 226.364 1.879 10 0 BDAERO COCc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000335482230 133881625 /nfs/dbraw/zinc/88/16/25/133881625.db2.gz CBCGKOHNGNSQTB-MFKMUULPSA-N 1 0 248.326 1.252 10 0 BDAERO COCc1cccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000335484343 133881759 /nfs/dbraw/zinc/88/17/59/133881759.db2.gz VBYSIORKGFVVFT-GXFFZTMASA-N 1 0 248.326 1.252 10 0 BDAERO C[C@H]1CCCN(C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000166761443 133960158 /nfs/dbraw/zinc/96/01/58/133960158.db2.gz KNNIAYJGDKXLBZ-NWDGAFQWSA-N 1 0 239.363 1.570 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)N=c1[nH]c2ccccc2[nH]1 ZINC000336097133 134080720 /nfs/dbraw/zinc/08/07/20/134080720.db2.gz SOXJPYCZCCUBAS-HTQZYQBOSA-N 1 0 204.277 1.132 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000218170469 134251463 /nfs/dbraw/zinc/25/14/63/134251463.db2.gz VFBDLQZMSOHVSO-GFCCVEGCSA-N 1 0 243.310 1.536 10 0 BDAERO OCCCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000171147644 134256973 /nfs/dbraw/zinc/25/69/73/134256973.db2.gz JYVVEQYGQGCUQW-UHFFFAOYSA-N 1 0 237.347 1.752 10 0 BDAERO C[Si](C)(C)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173932785 134276398 /nfs/dbraw/zinc/27/63/98/134276398.db2.gz PVESJNKWNXMHDE-LBPRGKRZSA-N 1 0 242.439 1.270 10 0 BDAERO Cc1c(Cl)cccc1C(=O)N(C)C1C[NH2+]C1 ZINC000219867003 134292265 /nfs/dbraw/zinc/29/22/65/134292265.db2.gz QSXJGSVGUMFQEV-UHFFFAOYSA-N 1 0 238.718 1.692 10 0 BDAERO Cn1ncnc1CN1CCC[C@H]1c1ccco1 ZINC000177188069 134296307 /nfs/dbraw/zinc/29/63/07/134296307.db2.gz ZDBKKIGIWAEQSO-JTQLQIEISA-N 1 0 232.287 1.745 10 0 BDAERO COC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)C(C)C ZINC000178361136 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CC(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000184526459 134363214 /nfs/dbraw/zinc/36/32/14/134363214.db2.gz PIHXCOPDFPGTQX-VXGBXAGGSA-N 1 0 226.364 1.831 10 0 BDAERO C[C@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000227235876 134376521 /nfs/dbraw/zinc/37/65/21/134376521.db2.gz XRCIQKINIDFXJV-GRYCIOLGSA-N 1 0 214.353 1.029 10 0 BDAERO CC(C)OCC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227361566 134378861 /nfs/dbraw/zinc/37/88/61/134378861.db2.gz YQJSLHFAKMTAPW-KBPBESRZSA-N 1 0 240.391 1.970 10 0 BDAERO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227567904 134383282 /nfs/dbraw/zinc/38/32/82/134383282.db2.gz GZFZIESSYZERFE-QWRGUYRKSA-N 1 0 243.347 1.421 10 0 BDAERO CSCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227957619 134395378 /nfs/dbraw/zinc/39/53/78/134395378.db2.gz FRUVPFJZEBVTKP-RYUDHWBXSA-N 1 0 228.405 1.908 10 0 BDAERO CCCCOC[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000227907376 134398351 /nfs/dbraw/zinc/39/83/51/134398351.db2.gz JZSLHBBGCFILGA-RWMBFGLXSA-N 1 0 229.364 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/nfs/dbraw/zinc/77/78/63/176777863.db2.gz HVRSBMLKWZVDNW-JGVFFNPUSA-N 1 0 212.318 1.884 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000324295917 487570352 /nfs/dbraw/zinc/57/03/52/487570352.db2.gz BQCREZQTJWRKOY-VXNVDRBHSA-N 1 0 243.269 1.296 10 0 BDAERO C[C@@H]1OCC[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000149742965 487570529 /nfs/dbraw/zinc/57/05/29/487570529.db2.gz HIAOGLDCFLJMOK-GXFFZTMASA-N 1 0 248.326 1.095 10 0 BDAERO CC(C)OC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000585158524 487581142 /nfs/dbraw/zinc/58/11/42/487581142.db2.gz FZLXBXHJWQRIRQ-CHWSQXEVSA-N 1 0 227.348 1.789 10 0 BDAERO CC(C)OCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116314744 167234497 /nfs/dbraw/zinc/23/44/97/167234497.db2.gz CSZNTXZOFHGXSL-GFCCVEGCSA-N 1 0 237.347 1.634 10 0 BDAERO CC(C)OCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000120841647 167237162 /nfs/dbraw/zinc/23/71/62/167237162.db2.gz QTWPNVHGPPWPFQ-QWRGUYRKSA-N 1 0 201.310 1.521 10 0 BDAERO Cc1cccc(C[NH2+]CC2CC(O)C2)c1 ZINC000084447309 322913442 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/nfs/dbraw/zinc/00/11/54/410001154.db2.gz NBQXFPVXISBDNH-NXEZZACHSA-N 1 0 236.319 1.185 10 0 BDAERO [NH3+]Cc1[nH]nc2cccc(Br)c21 ZINC000076674809 410062015 /nfs/dbraw/zinc/06/20/15/410062015.db2.gz QAKTYJFKCPQRJM-UHFFFAOYSA-N 1 0 226.077 1.784 10 0 BDAERO Brc1ccnc([C@@H]2CC[NH2+]C2)c1 ZINC000083323818 166103405 /nfs/dbraw/zinc/10/34/05/166103405.db2.gz FAZZKEJMHGJSJK-SSDOTTSWSA-N 1 0 227.105 1.921 10 0 BDAERO Brc1cnc2c(c1)C[NH2+]CCO2 ZINC000085210302 166104898 /nfs/dbraw/zinc/10/48/98/166104898.db2.gz DNCCDFJYMZYDDS-UHFFFAOYSA-N 1 0 229.077 1.326 10 0 BDAERO COc1cccnc1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000128325383 410249303 /nfs/dbraw/zinc/24/93/03/410249303.db2.gz JBPQFZCJCBLZGX-QWRGUYRKSA-N 1 0 235.331 1.890 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ncnc3c2CCCC3)C1 ZINC000127344090 410330012 /nfs/dbraw/zinc/33/00/12/410330012.db2.gz RPSBMHUISFKAEV-GHMZBOCLSA-N 1 0 246.358 1.529 10 0 BDAERO CCc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n[nH]1 ZINC000129132027 410367607 /nfs/dbraw/zinc/36/76/07/410367607.db2.gz XCTPKBCJISUAQF-HTQZYQBOSA-N 1 0 222.292 1.038 10 0 BDAERO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)cn1 ZINC000335598202 410450226 /nfs/dbraw/zinc/45/02/26/410450226.db2.gz VMGOBUOBRIUKAB-CMPLNLGQSA-N 1 0 233.315 1.717 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)c1cccc2[nH]ccc21 ZINC000133589821 410455109 /nfs/dbraw/zinc/45/51/09/410455109.db2.gz IAAPBLLMKVJABA-JTQLQIEISA-N 1 0 243.310 1.507 10 0 BDAERO CC1(CNC(=O)C2CCC([NH3+])CC2)CCC1 ZINC000225525179 487616512 /nfs/dbraw/zinc/61/65/12/487616512.db2.gz WWGRRGVHUYBAAY-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO CN(C)c1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000133692851 410540756 /nfs/dbraw/zinc/54/07/56/410540756.db2.gz QXYWAVKRFSWAMA-NSHDSACASA-N 1 0 247.342 1.092 10 0 BDAERO C[C@H]1OCC[C@@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000150329229 487618062 /nfs/dbraw/zinc/61/80/62/487618062.db2.gz KEMRUQKRBLANTF-SKDRFNHKSA-N 1 0 249.314 1.444 10 0 BDAERO Cc1cccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000393848271 410766780 /nfs/dbraw/zinc/76/67/80/410766780.db2.gz SOTWYHCNJFYILF-JSGCOSHPSA-N 1 0 231.343 1.955 10 0 BDAERO COCC1(CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000655490202 410803288 /nfs/dbraw/zinc/80/32/88/410803288.db2.gz ICKLPKYALBKNLX-LBPRGKRZSA-N 1 0 240.347 1.061 10 0 BDAERO COC[C@H](C)[NH2+][C@@H](C)c1cnc(C)cn1 ZINC000393614809 410749399 /nfs/dbraw/zinc/74/93/99/410749399.db2.gz WCPUMWCXLQARKP-UWVGGRQHSA-N 1 0 209.293 1.471 10 0 BDAERO CC(C)CCOc1ncccc1C(N)=[NH2+] ZINC000019513377 166883715 /nfs/dbraw/zinc/88/37/15/166883715.db2.gz YPFPUULRTQDRAE-UHFFFAOYSA-N 1 0 207.277 1.791 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000395241580 410845125 /nfs/dbraw/zinc/84/51/25/410845125.db2.gz KWDRJCBMEDZYFQ-CKYFFXLPSA-N 1 0 224.348 1.537 10 0 BDAERO O=C(Cc1ccncc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740647 410888166 /nfs/dbraw/zinc/88/81/66/410888166.db2.gz UOHXVHRYNTXTGZ-FUNVUKJBSA-N 1 0 245.326 1.023 10 0 BDAERO CC(C)C[NH2+]C1(C(N)=O)CCCCCC1 ZINC000037946156 167003148 /nfs/dbraw/zinc/00/31/48/167003148.db2.gz AIKSJOGHUFSUIH-UHFFFAOYSA-N 1 0 212.337 1.810 10 0 BDAERO CC(C)C[NH2+]CC(C)(C)CN1CCOC[C@@H]1C ZINC000051216772 167003396 /nfs/dbraw/zinc/00/33/96/167003396.db2.gz PXQAIINAKZMBTB-ZDUSSCGKSA-N 1 0 242.407 1.979 10 0 BDAERO CC(C)C[NH2+]CCN(C)c1ncnc2c1CCC2 ZINC000061278229 167005613 /nfs/dbraw/zinc/00/56/13/167005613.db2.gz PEPUVUPPMQDODB-UHFFFAOYSA-N 1 0 248.374 1.647 10 0 BDAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCc2ccccc21 ZINC000037946184 167012884 /nfs/dbraw/zinc/01/28/84/167012884.db2.gz SVNTZXKVKXPWCB-AWEZNQCLSA-N 1 0 232.327 1.559 10 0 BDAERO CC(C)C[NH2+][C@]1(C(N)=O)CCC[C@H](C)C1 ZINC000037946106 167015732 /nfs/dbraw/zinc/01/57/32/167015732.db2.gz XJHRORSQWCYRIO-CMPLNLGQSA-N 1 0 212.337 1.666 10 0 BDAERO CC[NH+](CC)CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000121634407 169779003 /nfs/dbraw/zinc/77/90/03/169779003.db2.gz RYCNOBKCABMUOJ-QWRGUYRKSA-N 1 0 228.336 1.012 10 0 BDAERO CC(C)NC(=[NH2+])n1nnc2ccccc21 ZINC000090410961 167034785 /nfs/dbraw/zinc/03/47/85/167034785.db2.gz BGYHRFROTRMLJW-UHFFFAOYSA-N 1 0 203.249 1.212 10 0 BDAERO CC(C)NC(=O)C[NH2+]CC1(O)CCCCCC1 ZINC000037892415 167058297 /nfs/dbraw/zinc/05/82/97/167058297.db2.gz JMWQUPMGBVFALT-UHFFFAOYSA-N 1 0 242.363 1.186 10 0 BDAERO CC(C)NC(=O)[C@@H](C)OC1CCC([NH3+])CC1 ZINC000055142883 167080805 /nfs/dbraw/zinc/08/08/05/167080805.db2.gz QKNGPOMBFJYYPG-KPPDAEKUSA-N 1 0 228.336 1.186 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000049716799 167098920 /nfs/dbraw/zinc/09/89/20/167098920.db2.gz UDSZIMRLOQDZRG-WDEREUQCSA-N 1 0 210.321 1.385 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N(C)c1ccccn1 ZINC000037632939 167099615 /nfs/dbraw/zinc/09/96/15/167099615.db2.gz SUWMNAYWUMPCSR-UHFFFAOYSA-N 1 0 235.331 1.823 10 0 BDAERO CC(C)[NH2+]CCN(CCO)Cc1ccccc1 ZINC000050515544 167105075 /nfs/dbraw/zinc/10/50/75/167105075.db2.gz JAPVMKHNMCTYPM-UHFFFAOYSA-N 1 0 236.359 1.479 10 0 BDAERO CC(C)[NH2+]CCNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000054264805 167107060 /nfs/dbraw/zinc/10/70/60/167107060.db2.gz VSSPKWHIOXIHRJ-YNEHKIRRSA-N 1 0 238.375 1.927 10 0 BDAERO CC(C)[NH2+]CCN1C[C@@H](C)OC(C)(C)C1 ZINC000045685027 167107433 /nfs/dbraw/zinc/10/74/33/167107433.db2.gz PTJGKBZFDLICFX-LLVKDONJSA-N 1 0 214.353 1.484 10 0 BDAERO CC(C)[NH2+]CCc1nc2ccccc2n1CCO ZINC000037900762 167108537 /nfs/dbraw/zinc/10/85/37/167108537.db2.gz GVRULWKLAAWMBS-UHFFFAOYSA-N 1 0 247.342 1.569 10 0 BDAERO CC(C)[NH2+]CCOc1ccc(F)cc1C(N)=O ZINC000104232083 167108961 /nfs/dbraw/zinc/10/89/61/167108961.db2.gz ZTOYLEDZUBGSAJ-UHFFFAOYSA-N 1 0 240.278 1.301 10 0 BDAERO CC(C)[NH2+]C[C@@H](C)N1CCSCC1 ZINC000052425475 167110663 /nfs/dbraw/zinc/11/06/63/167110663.db2.gz ZFIXVQADLBILGE-SNVBAGLBSA-N 1 0 202.367 1.422 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)c1ccc(O)c(N)c1 ZINC000026016769 167111183 /nfs/dbraw/zinc/11/11/83/167111183.db2.gz FDKAXRPNTIXZOI-LLVKDONJSA-N 1 0 210.277 1.006 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N1CCCSCC1 ZINC000052370982 167112986 /nfs/dbraw/zinc/11/29/86/167112986.db2.gz OZRRFNWPJCZASN-NSHDSACASA-N 1 0 216.394 1.812 10 0 BDAERO CC(C)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037871942 167114726 /nfs/dbraw/zinc/11/47/26/167114726.db2.gz RYFRVYNVIMIPHF-NSHDSACASA-N 1 0 215.243 1.996 10 0 BDAERO CC(C)[NH2+]Cc1cnc(-c2nc[nH]n2)s1 ZINC000040996711 167120651 /nfs/dbraw/zinc/12/06/51/167120651.db2.gz VRQZJHSMGWSFDC-UHFFFAOYSA-N 1 0 223.305 1.426 10 0 BDAERO CC(C)[NH2+]Cc1ccccc1N1CC[C@H](O)C1 ZINC000061711244 167121735 /nfs/dbraw/zinc/12/17/35/167121735.db2.gz YJJZYBINIKZEFH-ZDUSSCGKSA-N 1 0 234.343 1.756 10 0 BDAERO CC(C)[NH2+]Cc1nnnn1[C@H](C)c1ccccc1 ZINC000054745647 167122968 /nfs/dbraw/zinc/12/29/68/167122968.db2.gz LFHJLFAJOSUPAR-LLVKDONJSA-N 1 0 245.330 1.780 10 0 BDAERO CC(C)[NH2+]Cc1nc(C(F)(F)F)c[nH]1 ZINC000037477343 167123682 /nfs/dbraw/zinc/12/36/82/167123682.db2.gz BBHIGBNLJSYNPW-UHFFFAOYSA-N 1 0 207.199 1.927 10 0 BDAERO CC(C)[NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000336678968 167133808 /nfs/dbraw/zinc/13/38/08/167133808.db2.gz QRYPZPSSFYDRGV-ZYHUDNBSSA-N 1 0 223.320 1.638 10 0 BDAERO CC(C)[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000035760525 167135555 /nfs/dbraw/zinc/13/55/55/167135555.db2.gz FPVAAPDHRJERMZ-LLVKDONJSA-N 1 0 239.340 1.903 10 0 BDAERO CC(C)[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000019880812 167138804 /nfs/dbraw/zinc/13/88/04/167138804.db2.gz BHXSUTWDRPQZST-SNVBAGLBSA-N 1 0 231.303 1.721 10 0 BDAERO CC[NH+](CC)CCOc1ccc(N)c(OC)c1 ZINC000111057839 169782863 /nfs/dbraw/zinc/78/28/63/169782863.db2.gz GXDBYVLUHVAHFY-UHFFFAOYSA-N 1 0 238.331 1.998 10 0 BDAERO CC(C)OC(=O)c1c[nH]c(C2([NH3+])CCC2)n1 ZINC000037474900 167172728 /nfs/dbraw/zinc/17/27/28/167172728.db2.gz IJRKOGGWAHLLIH-UHFFFAOYSA-N 1 0 223.276 1.313 10 0 BDAERO CC(C)OCCC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352660495 167213826 /nfs/dbraw/zinc/21/38/26/167213826.db2.gz SRJQVKAKVLNQLP-NWDGAFQWSA-N 1 0 215.337 1.647 10 0 BDAERO CC(C)Oc1ccc([C@@H](O)[C@H](C)[NH3+])cc1 ZINC000037742832 167299794 /nfs/dbraw/zinc/29/97/94/167299794.db2.gz YFJVPIPJCYJQIN-CABZTGNLSA-N 1 0 209.289 1.854 10 0 BDAERO CC(C)Oc1ccc([C@H](O)[C@@H](C)[NH3+])cc1 ZINC000037742829 167300661 /nfs/dbraw/zinc/30/06/61/167300661.db2.gz YFJVPIPJCYJQIN-BXKDBHETSA-N 1 0 209.289 1.854 10 0 BDAERO CC(C)Oc1ccc([C@H]2C[NH2+]CCN2)cc1 ZINC000071522654 167301264 /nfs/dbraw/zinc/30/12/64/167301264.db2.gz UUMBTSBYGZBUPT-CYBMUJFWSA-N 1 0 220.316 1.708 10 0 BDAERO CC(C)[C@@H](C(N)=O)[N@H+](C)Cc1ccccc1 ZINC000032024378 167347450 /nfs/dbraw/zinc/34/74/50/167347450.db2.gz QZKFEGKABFMDKE-LBPRGKRZSA-N 1 0 220.316 1.628 10 0 BDAERO CC(C)[C@@H](C)[N@H+](C)[C@]1(CN)CN2CCC1CC2 ZINC000036787029 167370790 /nfs/dbraw/zinc/37/07/90/167370790.db2.gz RDRFRZZFXZIHTI-TZMCWYRMSA-N 1 0 239.407 1.386 10 0 BDAERO CC(C)[C@@H](C)NC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339512021 167373727 /nfs/dbraw/zinc/37/37/27/167373727.db2.gz QYVZGKARCRWAMR-LLVKDONJSA-N 1 0 226.364 1.925 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000375839890 167385234 /nfs/dbraw/zinc/38/52/34/167385234.db2.gz JUWXEGFOQLUDBK-MNOVXSKESA-N 1 0 207.321 1.832 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655496229 410928675 /nfs/dbraw/zinc/92/86/75/410928675.db2.gz DJHPZZNDLWEOEV-GMXVVIOVSA-N 1 0 249.358 1.502 10 0 BDAERO CC(C)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000104222239 410929297 /nfs/dbraw/zinc/92/92/97/410929297.db2.gz HWIHUSNAVZMUHJ-DGCLKSJQSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](O)C2)C[C@H](C)O1 ZINC000390343979 411045390 /nfs/dbraw/zinc/04/53/90/411045390.db2.gz NRDVDMUUPWLLJM-RNJOBUHISA-N 1 0 227.348 1.647 10 0 BDAERO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H](O)C1)[C@@H](C)[NH3+] ZINC000399525378 411048136 /nfs/dbraw/zinc/04/81/36/411048136.db2.gz SCLVNRYVWMGUFI-WYUUTHIRSA-N 1 0 242.363 1.026 10 0 BDAERO [NH3+]Cc1cc(F)ccc1-c1cncnc1 ZINC000082639260 411150040 /nfs/dbraw/zinc/15/00/40/411150040.db2.gz CMBRTGBPPWESAS-UHFFFAOYSA-N 1 0 203.220 1.741 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657890276 411154779 /nfs/dbraw/zinc/15/47/79/411154779.db2.gz UMMOCAMOLBVLCX-FRRDWIJNSA-N 1 0 239.359 1.839 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000309511256 411158340 /nfs/dbraw/zinc/15/83/40/411158340.db2.gz PLEARKNZWQMGHX-VGRIYTJTSA-N 1 0 210.321 1.147 10 0 BDAERO Cc1noc2ncnc(NCC[C@H]3CC[NH2+]C3)c12 ZINC000110798106 411119687 /nfs/dbraw/zinc/11/96/87/411119687.db2.gz DPNLMIBESVXFKC-SECBINFHSA-N 1 0 247.302 1.338 10 0 BDAERO C[C@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000043595197 411123960 /nfs/dbraw/zinc/12/39/60/411123960.db2.gz ARIDVEAXENCTKM-HZMBPMFUSA-N 1 0 244.338 1.788 10 0 BDAERO CC[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)C(C)C ZINC000309544505 411169509 /nfs/dbraw/zinc/16/95/09/411169509.db2.gz ZFVUHGZNDFQRQM-ZJUUUORDSA-N 1 0 212.337 1.535 10 0 BDAERO C[C@H]([NH3+])c1cnn(C[C@H]2CCCCO2)c1 ZINC000054716921 411174761 /nfs/dbraw/zinc/17/47/61/411174761.db2.gz ZAEZLBAMKOTXHL-GXSJLCMTSA-N 1 0 209.293 1.472 10 0 BDAERO COCC1(C[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000656155315 411186391 /nfs/dbraw/zinc/18/63/91/411186391.db2.gz QTMVUYRUJWHISU-SNVBAGLBSA-N 1 0 215.337 1.410 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCc1ccco1 ZINC000061883518 411194593 /nfs/dbraw/zinc/19/45/93/411194593.db2.gz ONGQXYUMXRMEPV-ZYHUDNBSSA-N 1 0 236.315 1.456 10 0 BDAERO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(O)c1 ZINC000061883450 411194909 /nfs/dbraw/zinc/19/49/09/411194909.db2.gz MEKDLMUMRKHYDC-CMPLNLGQSA-N 1 0 248.326 1.558 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@@H](C)CO1 ZINC000309720229 411218729 /nfs/dbraw/zinc/21/87/29/411218729.db2.gz BOHSOADOUBBOTJ-UMSGYPCISA-N 1 0 227.348 1.647 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1csc(Cl)c1 ZINC000658052977 411220072 /nfs/dbraw/zinc/22/00/72/411220072.db2.gz RXFYRPSICLUULZ-HTRCEHHLSA-N 1 0 244.747 1.941 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC=CCC1 ZINC000129113216 411229814 /nfs/dbraw/zinc/22/98/14/411229814.db2.gz LQJRMGSSEITURO-GHMZBOCLSA-N 1 0 210.321 1.585 10 0 BDAERO CCOCCN(CC)C(=O)C1CCC([NH3+])CC1 ZINC000113354970 411232108 /nfs/dbraw/zinc/23/21/08/411232108.db2.gz RKMLWKGLMIELCF-UHFFFAOYSA-N 1 0 242.363 1.389 10 0 BDAERO [NH3+][C@H]1CC[C@H](OC(=O)N2CCCC2)CC1 ZINC000299892453 411232133 /nfs/dbraw/zinc/23/21/33/411232133.db2.gz XGTLKMQQBFPVHQ-MGCOHNPYSA-N 1 0 212.293 1.489 10 0 BDAERO CO[C@H](C)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000299891292 411232192 /nfs/dbraw/zinc/23/21/92/411232192.db2.gz MFIADMOMQYLRRY-YNEHKIRRSA-N 1 0 226.364 1.580 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cccc2cc[nH]c21 ZINC000310299409 411232318 /nfs/dbraw/zinc/23/23/18/411232318.db2.gz NNJPPNFMNPEGON-VIFPVBQESA-N 1 0 231.299 1.506 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cccc2cc[nH]c21 ZINC000310299408 411233042 /nfs/dbraw/zinc/23/30/42/411233042.db2.gz NNJPPNFMNPEGON-SECBINFHSA-N 1 0 231.299 1.506 10 0 BDAERO O[C@@H]1CCC[C@@H](CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000310454090 411237695 /nfs/dbraw/zinc/23/76/95/411237695.db2.gz WGNAHEUPZMZUPT-HZSPNIEDSA-N 1 0 238.375 1.318 10 0 BDAERO O[C@@H]1CCC[C@@H](CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000310454092 411238150 /nfs/dbraw/zinc/23/81/50/411238150.db2.gz WGNAHEUPZMZUPT-MGPQQGTHSA-N 1 0 238.375 1.318 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2c[nH]nc2N)CC1 ZINC000616595477 411239172 /nfs/dbraw/zinc/23/91/72/411239172.db2.gz MUJZCPNXJDSTON-SNVBAGLBSA-N 1 0 238.335 1.554 10 0 BDAERO Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)o1 ZINC000054309098 411271209 /nfs/dbraw/zinc/27/12/09/411271209.db2.gz OEFHSVXIVVLJOX-NSHDSACASA-N 1 0 236.315 1.594 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC(F)(F)F ZINC000128878627 411271253 /nfs/dbraw/zinc/27/12/53/411271253.db2.gz HBEHNOKEKMZFNY-ZCFIWIBFSA-N 1 0 212.215 1.038 10 0 BDAERO COc1ccccc1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062887700 411327729 /nfs/dbraw/zinc/32/77/29/411327729.db2.gz ZGWPDHVAAUIOMN-ZDUSSCGKSA-N 1 0 234.299 1.633 10 0 BDAERO Nc1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000616611777 411280275 /nfs/dbraw/zinc/28/02/75/411280275.db2.gz ORYGOGCNWRNBLO-GFCCVEGCSA-N 1 0 242.326 1.981 10 0 BDAERO CCCN(CC)Cc1nn(C)cc1C(=O)OC ZINC000575441486 411297770 /nfs/dbraw/zinc/29/77/70/411297770.db2.gz QLHLYHSQMDRZJS-UHFFFAOYSA-N 1 0 239.319 1.439 10 0 BDAERO Cc1cnc(N2CC3CC2(C[NH3+])C3)nc1C ZINC000656611161 411310062 /nfs/dbraw/zinc/31/00/62/411310062.db2.gz YGRSPCTXHVFYTG-UHFFFAOYSA-N 1 0 218.304 1.021 10 0 BDAERO CN1C[C@@H](C[NH2+][C@@H]2CCCC2(C)C)CC1=O ZINC000658245076 411310134 /nfs/dbraw/zinc/31/01/34/411310134.db2.gz VUHCSVJVXPRXFY-GHMZBOCLSA-N 1 0 224.348 1.633 10 0 BDAERO CN1C[C@H](C[NH2+][C@@H]2CCCSCC2)CC1=O ZINC000658243279 411310474 /nfs/dbraw/zinc/31/04/74/411310474.db2.gz ZLVPCHZYLDVIRA-WDEREUQCSA-N 1 0 242.388 1.340 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658246070 411311008 /nfs/dbraw/zinc/31/10/08/411311008.db2.gz WYPGNODKECOQBM-VHSXEESVSA-N 1 0 210.321 1.243 10 0 BDAERO CCC[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128858233 411254785 /nfs/dbraw/zinc/25/47/85/411254785.db2.gz LNYBNBYZYYXJSP-NXEZZACHSA-N 1 0 200.326 1.665 10 0 BDAERO C[C@@H]1SCC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000309819043 411258648 /nfs/dbraw/zinc/25/86/48/411258648.db2.gz CZQSSTJEZCZJMF-AXFHLTTASA-N 1 0 242.388 1.529 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+]C2CC(CO)C2)C12CCC2 ZINC000658355951 411353780 /nfs/dbraw/zinc/35/37/80/411353780.db2.gz KWBYPKPZHLHAEI-TYUFSLCMSA-N 1 0 239.359 1.695 10 0 BDAERO CC(C)CC1([NH2+]Cc2nnnn2C(C)C)CC1 ZINC000662068563 411356644 /nfs/dbraw/zinc/35/66/44/411356644.db2.gz GEKWPNMZIULPFL-UHFFFAOYSA-N 1 0 237.351 1.922 10 0 BDAERO C[C@@H]1CCCN(c2ncccc2F)[C@@H]1C[NH3+] ZINC000069727347 411357936 /nfs/dbraw/zinc/35/79/36/411357936.db2.gz OJXSNURLUMKCIQ-MWLCHTKSSA-N 1 0 223.295 1.784 10 0 BDAERO C[C@@H]1CCCN(c2cnccn2)[C@@H]1C[NH3+] ZINC000069727517 411359951 /nfs/dbraw/zinc/35/99/51/411359951.db2.gz RCUJVSBEUNBOMY-NXEZZACHSA-N 1 0 206.293 1.040 10 0 BDAERO Cc1nccc(N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000069727474 411360036 /nfs/dbraw/zinc/36/00/36/411360036.db2.gz NQLMTYCOHHHFHY-ONGXEEELSA-N 1 0 220.320 1.349 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)C(C1CC1)C1CC1 ZINC000304449403 411365325 /nfs/dbraw/zinc/36/53/25/411365325.db2.gz JSCYRGOLODMAGZ-VIFPVBQESA-N 1 0 222.332 1.148 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](CC)OC[C@H]1C ZINC000403965965 411370190 /nfs/dbraw/zinc/37/01/90/411370190.db2.gz SVOCXBRBFUMXDR-MXWKQRLJSA-N 1 0 228.336 1.140 10 0 BDAERO CC1(NC(=O)C[C@H]2CCC[NH2+]C2)CCCC1 ZINC000054308901 168057030 /nfs/dbraw/zinc/05/70/30/168057030.db2.gz XQKPLSDPMQOXTF-LLVKDONJSA-N 1 0 224.348 1.825 10 0 BDAERO CC1=C(C)C(=O)N([C@@H](C)[C@H]2CCC[NH2+]C2)C1=O ZINC000071164327 168080794 /nfs/dbraw/zinc/08/07/94/168080794.db2.gz ZFPQERRBUYJSNB-QWRGUYRKSA-N 1 0 236.315 1.080 10 0 BDAERO CC1CC(=O)N([C@H]2CCCC[C@H]2[NH3+])C(=O)C1 ZINC000061829070 168138975 /nfs/dbraw/zinc/13/89/75/168138975.db2.gz HSFXRTURQNCZDD-ZJUUUORDSA-N 1 0 224.304 1.041 10 0 BDAERO CC1CC(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000335594264 168144344 /nfs/dbraw/zinc/14/43/44/168144344.db2.gz XGVKHGKCMYLYTO-DJRKXVOMSA-N 1 0 210.321 1.289 10 0 BDAERO CC1CCC(C[NH3+])(N2CCOCC2)CC1 ZINC000019428749 168153160 /nfs/dbraw/zinc/15/31/60/168153160.db2.gz ZIAVZVYQXFTILI-UHFFFAOYSA-N 1 0 212.337 1.226 10 0 BDAERO CC1CCC(C[NH3+])(N2CCOC[C@H]2C)CC1 ZINC000035775017 168153456 /nfs/dbraw/zinc/15/34/56/168153456.db2.gz XOXMBQCSNVOWTH-OTTFEQOBSA-N 1 0 226.364 1.615 10 0 BDAERO CC1CCC(CO)([NH2+]C[C@@H]2CCCO2)CC1 ZINC000038114480 168156788 /nfs/dbraw/zinc/15/67/88/168156788.db2.gz DJTJBHHDLXGGQT-CPCZMJQVSA-N 1 0 227.348 1.696 10 0 BDAERO CC1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000309421202 168165735 /nfs/dbraw/zinc/16/57/35/168165735.db2.gz JWGJZPCPXWONGT-ADPBJBESSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@]1(C)CC1(F)F ZINC000659360214 411376026 /nfs/dbraw/zinc/37/60/26/411376026.db2.gz BDUPFIVOJPHVOD-IQJOONFLSA-N 1 0 246.301 1.536 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCc2ccoc2)C1 ZINC000659360886 411376785 /nfs/dbraw/zinc/37/67/85/411376785.db2.gz KUXOILAUUDKGRJ-RYUDHWBXSA-N 1 0 236.315 1.456 10 0 BDAERO CCC(=O)N(C)c1ccc(OCCC[NH3+])cc1 ZINC000020225113 168212434 /nfs/dbraw/zinc/21/24/34/168212434.db2.gz KMYLVSFNYGZQRA-UHFFFAOYSA-N 1 0 236.315 1.787 10 0 BDAERO CCC(=O)OCC[NH2+]Cc1ccccc1 ZINC000082690060 168250273 /nfs/dbraw/zinc/25/02/73/168250273.db2.gz PNNGGRFORHPSHM-UHFFFAOYSA-N 1 0 207.273 1.729 10 0 BDAERO CCC(C)(C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290414 168291118 /nfs/dbraw/zinc/29/11/18/168291118.db2.gz ZORLFNYLSFEERL-JTQLQIEISA-N 1 0 212.337 1.681 10 0 BDAERO CCC(C)(C)NC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000336237487 168292143 /nfs/dbraw/zinc/29/21/43/168292143.db2.gz BQRSEAQXIPYNHG-VHSXEESVSA-N 1 0 227.352 1.615 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)N(C)C[C@@H](C)C[NH3+] ZINC000042455859 168294858 /nfs/dbraw/zinc/29/48/58/168294858.db2.gz YHZURIFYTSUHDM-QWRGUYRKSA-N 1 0 243.395 1.206 10 0 BDAERO CCC(C)(C)[NH2+]CC(=O)N1CCCCC1 ZINC000020036101 168298209 /nfs/dbraw/zinc/29/82/09/168298209.db2.gz ABIJFVYOWGYSMH-UHFFFAOYSA-N 1 0 212.337 1.777 10 0 BDAERO CCC(C)(C)O[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000020516138 168303804 /nfs/dbraw/zinc/30/38/04/168303804.db2.gz OTFFBXXNIVGZBK-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@@H](C)[C@H]2CCCO2)n1 ZINC000657310493 411459012 /nfs/dbraw/zinc/45/90/12/411459012.db2.gz YYQLDFZJDRVWIY-VHSXEESVSA-N 1 0 209.293 1.375 10 0 BDAERO CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000659339675 411398772 /nfs/dbraw/zinc/39/87/72/411398772.db2.gz KKHMLQKYEZWZKF-GMTAPVOTSA-N 1 0 226.364 1.783 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000659341343 411399510 /nfs/dbraw/zinc/39/95/10/411399510.db2.gz VJTUZXVBNXSJQL-SDDRHHMPSA-N 1 0 226.364 1.927 10 0 BDAERO Cc1cc(C)cc(CNC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000659345210 411400566 /nfs/dbraw/zinc/40/05/66/411400566.db2.gz JTSITKBZFQSUGY-CYBMUJFWSA-N 1 0 232.327 1.529 10 0 BDAERO CC(C)(F)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000659359723 411401947 /nfs/dbraw/zinc/40/19/47/411401947.db2.gz VTJDMAWBKBKRGC-RKDXNWHRSA-N 1 0 216.300 1.368 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1=CCCC1 ZINC000659379867 411406294 /nfs/dbraw/zinc/40/62/94/411406294.db2.gz RIXDKHPMLMQLCD-NWDGAFQWSA-N 1 0 222.332 1.588 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@H](OC)C1CCCCC1 ZINC000659381329 411408108 /nfs/dbraw/zinc/40/81/08/411408108.db2.gz CGEHPSGQLNTDPE-PWSUYJOCSA-N 1 0 242.363 1.306 10 0 BDAERO COC[C@@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186534860 411410199 /nfs/dbraw/zinc/41/01/99/411410199.db2.gz YHJWDXUVRXSMEI-MNOVXSKESA-N 1 0 240.347 1.012 10 0 BDAERO CC[N@H+](CCn1cc(N)ccc1=O)C1CCCC1 ZINC000035765006 169878034 /nfs/dbraw/zinc/87/80/34/169878034.db2.gz QVKKDTKAXHRNEP-UHFFFAOYSA-N 1 0 249.358 1.695 10 0 BDAERO CCN(C[C@@H](C)C[NH3+])C(=O)Cc1ccccc1C ZINC000042441641 169879961 /nfs/dbraw/zinc/87/99/61/169879961.db2.gz YROCZVOTRRKQFI-LBPRGKRZSA-N 1 0 248.370 1.981 10 0 BDAERO CC[C@@H]1CN(c2ccccn2)CC[C@@H]1[NH3+] ZINC000122960755 411436669 /nfs/dbraw/zinc/43/66/69/411436669.db2.gz RWJJIOSJBZUGMA-MNOVXSKESA-N 1 0 205.305 1.645 10 0 BDAERO CC[C@@H]1CN(c2ccnc(C)n2)CC[C@@H]1[NH3+] ZINC000122923430 411436718 /nfs/dbraw/zinc/43/67/18/411436718.db2.gz KIQCTMDKZCHJAD-MNOVXSKESA-N 1 0 220.320 1.349 10 0 BDAERO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccn2)CO1 ZINC000657286255 411445680 /nfs/dbraw/zinc/44/56/80/411445680.db2.gz MLZQRQDBIOMVQB-VXGBXAGGSA-N 1 0 206.289 1.739 10 0 BDAERO CC[C@H]1C[C@H]([NH2+]Cc2ccccn2)CO1 ZINC000657286254 411445744 /nfs/dbraw/zinc/44/57/44/411445744.db2.gz MLZQRQDBIOMVQB-RYUDHWBXSA-N 1 0 206.289 1.739 10 0 BDAERO CC[C@H](O)C[NH2+][C@@H](C)COCc1ccccc1 ZINC000307167955 411467761 /nfs/dbraw/zinc/46/77/61/411467761.db2.gz SWTUMIWQIFQRRN-JSGCOSHPSA-N 1 0 237.343 1.952 10 0 BDAERO CC(C)n1ccnc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000657360131 411476647 /nfs/dbraw/zinc/47/66/47/411476647.db2.gz XMJOCVYQHDYZMG-LLVKDONJSA-N 1 0 239.363 1.961 10 0 BDAERO Cc1nc(C[NH2+]C[C@@H](O)C(C)(C)C)[nH]c1C ZINC000657360196 411477188 /nfs/dbraw/zinc/47/71/88/411477188.db2.gz YWNWPRQYINXNLR-SNVBAGLBSA-N 1 0 225.336 1.523 10 0 BDAERO C[N@H+](CCn1cccn1)C[C@H]1CCC[C@H](O)C1 ZINC000659919701 411497822 /nfs/dbraw/zinc/49/78/22/411497822.db2.gz SFUOAKWOWFZUTK-STQMWFEESA-N 1 0 237.347 1.366 10 0 BDAERO CC[C@H](C)CC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638892472 411513117 /nfs/dbraw/zinc/51/31/17/411513117.db2.gz JJGGHKHFQIWNEZ-HBNTYKKESA-N 1 0 212.337 1.476 10 0 BDAERO CC[C@H](C)CC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638892471 411513130 /nfs/dbraw/zinc/51/31/30/411513130.db2.gz JJGGHKHFQIWNEZ-GARJFASQSA-N 1 0 212.337 1.476 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657327137 411466121 /nfs/dbraw/zinc/46/61/21/411466121.db2.gz UUIYHQGQBVTJPK-CMPLNLGQSA-N 1 0 235.331 1.222 10 0 BDAERO CC[N@@H+]1CC[C@@H]2[C@H](CCC[C@@H]2C(=O)OC)C1 ZINC000039102535 170014334 /nfs/dbraw/zinc/01/43/34/170014334.db2.gz ULPTVDUQBTYMEY-UTUOFQBUSA-N 1 0 225.332 1.918 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2nc(C)cs2)C1 ZINC000309648220 170030695 /nfs/dbraw/zinc/03/06/95/170030695.db2.gz NAIODJFGKMYWDN-KOLCDFICSA-N 1 0 239.388 1.881 10 0 BDAERO CCN1C[C@H]([NH2+][C@@H](COC)C2CC2)[C@@H](C)C1 ZINC000309835928 170036684 /nfs/dbraw/zinc/03/66/84/170036684.db2.gz BBRVPIPVZRUAOV-DRZSPHRISA-N 1 0 226.364 1.341 10 0 BDAERO CCN1C[C@H]([NH2+][C@@H]2CCCOCC2)[C@@H](C)C1 ZINC000309950056 170036769 /nfs/dbraw/zinc/03/67/69/170036769.db2.gz FSCPLAQIWOMCEO-XQQFMLRXSA-N 1 0 226.364 1.485 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000336775995 170038415 /nfs/dbraw/zinc/03/84/15/170038415.db2.gz DHVPLZVDJKQNKJ-YNEHKIRRSA-N 1 0 226.364 1.343 10 0 BDAERO CCNC(=[NH2+])N[C@@H](C(=O)OC)c1ccccc1 ZINC000052042361 170041923 /nfs/dbraw/zinc/04/19/23/170041923.db2.gz VWCFYMMILYCTGK-SNVBAGLBSA-N 1 0 235.287 1.035 10 0 BDAERO CCNC(=O)CN(CC)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042370630 170057617 /nfs/dbraw/zinc/05/76/17/170057617.db2.gz YOCXEEIXBPQBDP-RYUDHWBXSA-N 1 0 241.379 1.104 10 0 BDAERO CCNC(=O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000035149854 170066119 /nfs/dbraw/zinc/06/61/19/170066119.db2.gz ZXGJYVXUYPKRQB-GFCCVEGCSA-N 1 0 218.300 1.400 10 0 BDAERO CCNC(=O)COc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000037723598 170067159 /nfs/dbraw/zinc/06/71/59/170067159.db2.gz NBOGPDSHDUGVPZ-SNVBAGLBSA-N 1 0 236.315 1.091 10 0 BDAERO CCNC(=O)COc1ccccc1C[C@H](C)[NH3+] ZINC000037724241 170068852 /nfs/dbraw/zinc/06/88/52/170068852.db2.gz QRKFNDHRPHJHCO-JTQLQIEISA-N 1 0 236.315 1.091 10 0 BDAERO CCNC(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000036949287 170071986 /nfs/dbraw/zinc/07/19/86/170071986.db2.gz TYVJBLKDPIUDOP-SNVBAGLBSA-N 1 0 213.325 1.180 10 0 BDAERO CCNC(=O)N(CCC[NH3+])c1cccc(C)c1 ZINC000034978085 170072992 /nfs/dbraw/zinc/07/29/92/170072992.db2.gz YOUYZOZCFWUHDY-UHFFFAOYSA-N 1 0 235.331 1.880 10 0 BDAERO CCNC(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000036949269 170085102 /nfs/dbraw/zinc/08/51/02/170085102.db2.gz LWLIWJNLFSKNEY-MRVPVSSYSA-N 1 0 207.277 1.848 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+]CCc1ccccc1F ZINC000020310291 170087571 /nfs/dbraw/zinc/08/75/71/170087571.db2.gz PUOIYJUGVIXZJU-SNVBAGLBSA-N 1 0 238.306 1.482 10 0 BDAERO CCNC(=O)[C@@H](C)Oc1ccccc1[C@H](C)[NH3+] ZINC000020419418 170089966 /nfs/dbraw/zinc/08/99/66/170089966.db2.gz BVCHUTTWMRKYIK-VHSXEESVSA-N 1 0 236.315 1.610 10 0 BDAERO CCNC(=O)[C@@H](C)n1c(N)[nH+]c2ccccc21 ZINC000049220649 170090282 /nfs/dbraw/zinc/09/02/82/170090282.db2.gz WGZRYOWZODFNGY-MRVPVSSYSA-N 1 0 232.287 1.316 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H](OCC)C1 ZINC000061299112 170106659 /nfs/dbraw/zinc/10/66/59/170106659.db2.gz DSYOSWIIUFFEFC-LLVKDONJSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)NC1CCCCC1 ZINC000061278429 170107601 /nfs/dbraw/zinc/10/76/01/170107601.db2.gz IMUAWBOKYCLIEP-UHFFFAOYSA-N 1 0 212.337 1.823 10 0 BDAERO CC[NH2+]C1CCN([C@@H](C)[C@@H]2CCCO2)CC1 ZINC000035735967 170109268 /nfs/dbraw/zinc/10/92/68/170109268.db2.gz KYKGSAUACLDJBE-AAEUAGOBSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+]C1CCN([C@@H](C)[C@H]2CCCO2)CC1 ZINC000035735969 170109453 /nfs/dbraw/zinc/10/94/53/170109453.db2.gz KYKGSAUACLDJBE-WCQYABFASA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+]CC(=O)Cc1ccccc1OC ZINC000077008988 170109742 /nfs/dbraw/zinc/10/97/42/170109742.db2.gz ZBOBMKUZKKVULJ-UHFFFAOYSA-N 1 0 207.273 1.416 10 0 BDAERO CC[NH2+]CCC(=O)c1cc(OC)ccc1OC ZINC000049828706 170111584 /nfs/dbraw/zinc/11/15/84/170111584.db2.gz ZYZNJSRXBKMIHI-UHFFFAOYSA-N 1 0 237.299 1.886 10 0 BDAERO CC[NH2+]CCC(=O)N(C)[C@H](C)C(C)C ZINC000061289408 170111587 /nfs/dbraw/zinc/11/15/87/170111587.db2.gz ZFGDDXBROANUII-SNVBAGLBSA-N 1 0 200.326 1.489 10 0 BDAERO CC[NH2+]CCC(=O)N1CCC[C@H]1c1cccnc1 ZINC000061289535 170111708 /nfs/dbraw/zinc/11/17/08/170111708.db2.gz TWEMAROFFLPFLU-ZDUSSCGKSA-N 1 0 247.342 1.745 10 0 BDAERO CC[NH2+]CCC(=O)Nc1ccc(OC)c(C)c1 ZINC000061299069 170111765 /nfs/dbraw/zinc/11/17/65/170111765.db2.gz RHNDBHGEFRAIJO-UHFFFAOYSA-N 1 0 236.315 1.942 10 0 BDAERO CC[NH2+]CCC(=O)N1CCCc2ccccc2C1 ZINC000062945882 170111860 /nfs/dbraw/zinc/11/18/60/170111860.db2.gz YZMFQBVNBXQBCU-UHFFFAOYSA-N 1 0 246.354 1.961 10 0 BDAERO CC[NH2+]CCC(=O)N1CC[C@H](C)C[C@H]1C ZINC000061299425 170111943 /nfs/dbraw/zinc/11/19/43/170111943.db2.gz UHJYASFGTUTWIO-WDEREUQCSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000095091556 170112027 /nfs/dbraw/zinc/11/20/27/170112027.db2.gz BMNMSVFQHPQNGO-UHFFFAOYSA-N 1 0 228.336 1.853 10 0 BDAERO CC[NH2+]CCCCn1ncc(=O)c2ccccc21 ZINC000053533107 170112478 /nfs/dbraw/zinc/11/24/78/170112478.db2.gz BNXVTRPOWQOFOU-UHFFFAOYSA-N 1 0 245.326 1.786 10 0 BDAERO CC[NH2+]CCc1ccc2c(c1)CCN2C ZINC000083227957 170118011 /nfs/dbraw/zinc/11/80/11/170118011.db2.gz CPBAGWDCLSOOCF-UHFFFAOYSA-N 1 0 204.317 1.831 10 0 BDAERO CC[NH2+]C[C@@H](C(C)C)N1CCn2ccnc2C1 ZINC000062325626 170118447 /nfs/dbraw/zinc/11/84/47/170118447.db2.gz JZTWOFYJZAMAMV-LBPRGKRZSA-N 1 0 236.363 1.333 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1c(C)cc(C)cc1C ZINC000033466184 170118695 /nfs/dbraw/zinc/11/86/95/170118695.db2.gz SQYIESDZHKHANY-CYBMUJFWSA-N 1 0 237.343 1.961 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000032014558 170118720 /nfs/dbraw/zinc/11/87/20/170118720.db2.gz QSCZCGCFNUCDDO-GFCCVEGCSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000032014554 170118807 /nfs/dbraw/zinc/11/88/07/170118807.db2.gz MBNNBXIKGRJYEY-GFCCVEGCSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@@H](C)N1CCCO[C@H](C)C1 ZINC000061935561 170119432 /nfs/dbraw/zinc/11/94/32/170119432.db2.gz WIFVWYMVCIMFIM-GHMZBOCLSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]C[C@@H]1CCN(Cc2ccc(C)nc2)C1 ZINC000062053798 170119644 /nfs/dbraw/zinc/11/96/44/170119644.db2.gz CTHWMHYOJYLNCJ-AWEZNQCLSA-N 1 0 233.359 1.821 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1cccc(C)n1 ZINC000053696877 170119829 /nfs/dbraw/zinc/11/98/29/170119829.db2.gz ZIBBYFAWLXQNDV-LBPRGKRZSA-N 1 0 219.332 1.968 10 0 BDAERO CC[NH2+]C[C@@H](O)c1cccc(OCC)c1 ZINC000032012210 170120371 /nfs/dbraw/zinc/12/03/71/170120371.db2.gz JWFWEUQXZOGTAN-GFCCVEGCSA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1C(F)(F)F ZINC000095091537 170120459 /nfs/dbraw/zinc/12/04/59/170120459.db2.gz QWKMITBBHBEMFJ-QMMMGPOBSA-N 1 0 210.243 1.970 10 0 BDAERO CC[NH2+]C[C@H](C(C)C)N1CCO[C@H]2CCC[C@@H]21 ZINC000052540084 170120627 /nfs/dbraw/zinc/12/06/27/170120627.db2.gz VJCOFXNQURVVOE-MJBXVCDLSA-N 1 0 240.391 1.874 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(CCOC)CC(C)C ZINC000061236274 170120767 /nfs/dbraw/zinc/12/07/67/170120767.db2.gz YXBGJWQMEQDSNC-LBPRGKRZSA-N 1 0 244.379 1.363 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(C)CCc1ccccn1 ZINC000061228589 170120778 /nfs/dbraw/zinc/12/07/78/170120778.db2.gz IQJJIUXKBPHWDX-LBPRGKRZSA-N 1 0 249.358 1.328 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1N(C)C ZINC000061233164 170121809 /nfs/dbraw/zinc/12/18/09/170121809.db2.gz BQFQLTJBEIHBGW-NSHDSACASA-N 1 0 249.358 1.937 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000032014563 170121810 /nfs/dbraw/zinc/12/18/10/170121810.db2.gz FTRJZSSCOFQFLU-LBPRGKRZSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@H](O)c1cc(OC)c(C)cc1OC ZINC000071549484 170122408 /nfs/dbraw/zinc/12/24/08/170122408.db2.gz ZTXVTUCKXXWCHW-NSHDSACASA-N 1 0 239.315 1.655 10 0 BDAERO CC[NH2+]C[C@](O)(CC)c1ccccc1OC ZINC000032014672 170123412 /nfs/dbraw/zinc/12/34/12/170123412.db2.gz VXGDEICXEYXIKR-CYBMUJFWSA-N 1 0 223.316 1.902 10 0 BDAERO CC[NH2+]C[C@H]1CC[C@@H](COC2CCOCC2)O1 ZINC000052597309 170123777 /nfs/dbraw/zinc/12/37/77/170123777.db2.gz LYICVUCPUYIFPF-OLZOCXBDSA-N 1 0 243.347 1.339 10 0 BDAERO CC[NH2+]Cc1c(N(C)CC)nc2ccccn21 ZINC000035449070 170124301 /nfs/dbraw/zinc/12/43/01/170124301.db2.gz PNGMMJGNQTUGEY-UHFFFAOYSA-N 1 0 232.331 1.900 10 0 BDAERO CC[NH2+]Cc1ccc(-n2ccnc2C)nc1 ZINC000051491111 170126347 /nfs/dbraw/zinc/12/63/47/170126347.db2.gz ABFUBOACGATYBP-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1csc(N2CCN(C)CC2)n1 ZINC000062214927 170129992 /nfs/dbraw/zinc/12/99/92/170129992.db2.gz RXCAKGJNPIDSKB-UHFFFAOYSA-N 1 0 240.376 1.004 10 0 BDAERO CC[NH2+]Cc1csc(-c2nc[nH]n2)n1 ZINC000040999607 170130236 /nfs/dbraw/zinc/13/02/36/170130236.db2.gz MTSQEIYUPMPCEZ-UHFFFAOYSA-N 1 0 209.278 1.038 10 0 BDAERO CC[NH2+]Cc1cnc(N2CCOC[C@@H]2C)s1 ZINC000054903516 170130669 /nfs/dbraw/zinc/13/06/69/170130669.db2.gz XAUFLUMSCFUDEQ-VIFPVBQESA-N 1 0 241.360 1.478 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1ccccc1CC ZINC000054744851 170131206 /nfs/dbraw/zinc/13/12/06/170131206.db2.gz GQPWYJZQHLPFBL-UHFFFAOYSA-N 1 0 231.303 1.334 10 0 BDAERO CC[NH2+]Cc1nc2c(cccc2F)n1C ZINC000044624021 170131952 /nfs/dbraw/zinc/13/19/52/170131952.db2.gz MKUAWHVMFJHLAG-UHFFFAOYSA-N 1 0 207.252 1.822 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC000037869642 170137643 /nfs/dbraw/zinc/13/76/43/170137643.db2.gz WMTAATIQAFUHDG-SECBINFHSA-N 1 0 212.680 1.476 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCCC[C@H]1C ZINC000061268689 170138664 /nfs/dbraw/zinc/13/86/64/170138664.db2.gz OZVYYRUGYYBGNU-WDEREUQCSA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@H]1CCCO ZINC000061274750 170139369 /nfs/dbraw/zinc/13/93/69/170139369.db2.gz HNPGSCJTRQYQSJ-RYUDHWBXSA-N 1 0 242.363 1.138 10 0 BDAERO CC[NH2+][C@@H](C)Cc1csc(CN(C)C)n1 ZINC000076793566 170140245 /nfs/dbraw/zinc/14/02/45/170140245.db2.gz FEAJRNOSFNXEGS-VIFPVBQESA-N 1 0 227.377 1.745 10 0 BDAERO CC[NH2+][C@@H](C)Cc1nnc2ccccn21 ZINC000061212748 170140526 /nfs/dbraw/zinc/14/05/26/170140526.db2.gz RXEAUYVBPCBULO-VIFPVBQESA-N 1 0 204.277 1.270 10 0 BDAERO CC[NH2+][C@@H](C)c1cc(C)ccc1OCC(N)=O ZINC000035629744 170140569 /nfs/dbraw/zinc/14/05/69/170140569.db2.gz HPKNGPGIOWIFGL-JTQLQIEISA-N 1 0 236.315 1.530 10 0 BDAERO CC[NH2+][C@@H](C1=CCCCC1)[C@H]1COCCO1 ZINC000055301275 170142994 /nfs/dbraw/zinc/14/29/94/170142994.db2.gz LDQYQBPZYNDANM-OLZOCXBDSA-N 1 0 225.332 1.880 10 0 BDAERO CC[NH2+][C@@H](CO)c1ccc(OC)c(F)c1 ZINC000071518736 170144655 /nfs/dbraw/zinc/14/46/55/170144655.db2.gz NBYRVEUUZHOXCW-JTQLQIEISA-N 1 0 213.252 1.477 10 0 BDAERO CC(C)[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC000660221300 411555244 /nfs/dbraw/zinc/55/52/44/411555244.db2.gz MZLURGBTNWEVFB-MJBXVCDLSA-N 1 0 241.375 1.894 10 0 BDAERO CC[NH2+][C@@H](Cn1cnccc1=O)c1ccccc1 ZINC000104273013 170146711 /nfs/dbraw/zinc/14/67/11/170146711.db2.gz CKQKHUUKVDKBHB-ZDUSSCGKSA-N 1 0 243.310 1.594 10 0 BDAERO CC[NH2+][C@@H](c1ccco1)[C@H]1COCCO1 ZINC000055301159 170148415 /nfs/dbraw/zinc/14/84/15/170148415.db2.gz AYBBILNZPAVDLS-MNOVXSKESA-N 1 0 211.261 1.346 10 0 BDAERO CC[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000102668098 170148976 /nfs/dbraw/zinc/14/89/76/170148976.db2.gz IYOCNULHVZSRHX-SNVBAGLBSA-N 1 0 224.304 1.056 10 0 BDAERO CC[NH2+][C@@H](c1ccncc1)c1cncnc1 ZINC000052887095 170149331 /nfs/dbraw/zinc/14/93/31/170149331.db2.gz WLWAMOWWMVTIDV-LBPRGKRZSA-N 1 0 214.272 1.571 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@@H]1N1CCCOCC1 ZINC000061917859 170150591 /nfs/dbraw/zinc/15/05/91/170150591.db2.gz LLTFYPKGVYQEAF-OLZOCXBDSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@@H]1CCCS(=O)(=O)c2ccccc21 ZINC000035760530 170150643 /nfs/dbraw/zinc/15/06/43/170150643.db2.gz OHFOKWJELREMDW-LLVKDONJSA-N 1 0 239.340 1.905 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCn2ccnc2C1 ZINC000062322308 170151028 /nfs/dbraw/zinc/15/10/28/170151028.db2.gz PXZLFBHJJARYDS-CHWSQXEVSA-N 1 0 248.374 1.477 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@H](C)c2cccnc2)C1=O ZINC000049648704 170152908 /nfs/dbraw/zinc/15/29/08/170152908.db2.gz KRVKHKDUARNPAL-ZYHUDNBSSA-N 1 0 233.315 1.353 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(N(C)C)cc2)C1=O ZINC000049648265 170152999 /nfs/dbraw/zinc/15/29/99/170152999.db2.gz ODVWJZVTVHSDOH-CYBMUJFWSA-N 1 0 247.342 1.467 10 0 BDAERO CC[NH2+][C@@](C)(CCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378300 170154862 /nfs/dbraw/zinc/15/48/62/170154862.db2.gz FOWGCIDXPUOQTO-ZDUSSCGKSA-N 1 0 242.363 1.705 10 0 BDAERO CC[NH2+][C@@]1(CN)CCCc2ccccc21 ZINC000050270258 170156136 /nfs/dbraw/zinc/15/61/36/170156136.db2.gz WRMVJVZHKJGZAM-CYBMUJFWSA-N 1 0 204.317 1.786 10 0 BDAERO CC[NH2+][C@H](C)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000044472640 170156903 /nfs/dbraw/zinc/15/69/03/170156903.db2.gz KYIMGWGEIHOVOW-AGIUHOORSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc(OC)c(F)c1 ZINC000071533163 170158721 /nfs/dbraw/zinc/15/87/21/170158721.db2.gz BWMSAKFRSYRKSM-PRHODGIISA-N 1 0 227.279 1.866 10 0 BDAERO CC[NH2+][C@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456652 170161423 /nfs/dbraw/zinc/16/14/23/170161423.db2.gz TZSIKAQCYKBWED-WDEREUQCSA-N 1 0 244.379 1.806 10 0 BDAERO CC[NH2+][C@H](CO)c1ccc(OC)c(C)c1OC ZINC000071549520 170162588 /nfs/dbraw/zinc/16/25/88/170162588.db2.gz WUTBQHNIJRXINJ-LLVKDONJSA-N 1 0 239.315 1.655 10 0 BDAERO CC[NH2+][C@H](Cn1cnccc1=O)c1ccccc1 ZINC000104273017 170163264 /nfs/dbraw/zinc/16/32/64/170163264.db2.gz CKQKHUUKVDKBHB-CYBMUJFWSA-N 1 0 243.310 1.594 10 0 BDAERO CC[NH2+][C@H](Cc1cnn(C)c1)c1cnccn1 ZINC000050542920 170163426 /nfs/dbraw/zinc/16/34/26/170163426.db2.gz IGZQPOLAKPJAGE-LLVKDONJSA-N 1 0 231.303 1.103 10 0 BDAERO CC[NH2+][C@H]1CCN(C2(C)CCCCC2)C1=O ZINC000045046020 170166548 /nfs/dbraw/zinc/16/65/48/170166548.db2.gz TWHLXLBGPWRUGN-NSHDSACASA-N 1 0 224.348 1.920 10 0 BDAERO CC[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1=O ZINC000049647584 170167779 /nfs/dbraw/zinc/16/77/79/170167779.db2.gz FNSLAHSJPOBMMN-YPMHNXCESA-N 1 0 232.327 1.958 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc3c(c2)CCC3)C1=O ZINC000049647386 170168346 /nfs/dbraw/zinc/16/83/46/170168346.db2.gz VHNZSEAKJYZWRS-AWEZNQCLSA-N 1 0 244.338 1.890 10 0 BDAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(C)cc1 ZINC000037447653 170170273 /nfs/dbraw/zinc/17/02/73/170170273.db2.gz VNPXDHRWUSNMBF-LBPRGKRZSA-N 1 0 206.289 1.305 10 0 BDAERO CCNc1cc(C[N@@H+]2CCCC[C@H]2CO)ccn1 ZINC000052729465 170172485 /nfs/dbraw/zinc/17/24/85/170172485.db2.gz AOBOHJUMKJJIMS-ZDUSSCGKSA-N 1 0 249.358 1.860 10 0 BDAERO CCOC(=O)C1(Nc2ccccc2)CC[NH2+]CC1 ZINC000039204043 170190343 /nfs/dbraw/zinc/19/03/43/170190343.db2.gz DAQQMJRKGXQPAO-UHFFFAOYSA-N 1 0 248.326 1.784 10 0 BDAERO CCOC(=O)CC[NH2+]Cc1ccncc1Cl ZINC000083370918 170209020 /nfs/dbraw/zinc/20/90/20/170209020.db2.gz JGVVLHMIHCIYNI-UHFFFAOYSA-N 1 0 242.706 1.778 10 0 BDAERO CCOC(=O)CC[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037636498 170210567 /nfs/dbraw/zinc/21/05/67/170210567.db2.gz UVVJMEVFLLUZAW-GFCCVEGCSA-N 1 0 249.310 1.965 10 0 BDAERO CCOC(=O)COc1ccc2c(c1)OC[C@H]2[NH3+] ZINC000035269766 170228767 /nfs/dbraw/zinc/22/87/67/170228767.db2.gz KODTUUXSWGQFPX-SNVBAGLBSA-N 1 0 237.255 1.021 10 0 BDAERO CCOC(=O)C[C@@H]1CCC[N@@H+](C2CC2)C1 ZINC000073653318 170231703 /nfs/dbraw/zinc/23/17/03/170231703.db2.gz PCQFTEPHULRHFA-JTQLQIEISA-N 1 0 211.305 1.814 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000019420711 170242915 /nfs/dbraw/zinc/24/29/15/170242915.db2.gz JXQAKGNYVJGIBN-JTQLQIEISA-N 1 0 244.241 1.711 10 0 BDAERO CCOC(=O)[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000060079540 170247169 /nfs/dbraw/zinc/24/71/69/170247169.db2.gz QYTLRSBACHQEEJ-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])Cc1ccccc1OC ZINC000020580315 170251491 /nfs/dbraw/zinc/25/14/91/170251491.db2.gz HLYYNSGMEMPZMO-LLVKDONJSA-N 1 0 237.299 1.376 10 0 BDAERO CCOC(=O)[C@@]1(c2ccccc2)C[C@@H]1C[NH3+] ZINC000001846957 170263411 /nfs/dbraw/zinc/26/34/11/170263411.db2.gz GGBNYUVTPJJNRX-DGCLKSJQSA-N 1 0 219.284 1.466 10 0 BDAERO CCOC(=O)[C@H]1CC2(C[NH2+]1)CCCCC2 ZINC000148834340 170278974 /nfs/dbraw/zinc/27/89/74/170278974.db2.gz JHSUKCYURQTSJI-SNVBAGLBSA-N 1 0 211.305 1.862 10 0 BDAERO CCOC(=O)c1ccc(C2=[NH+]CCN2)cc1 ZINC000142979616 170295916 /nfs/dbraw/zinc/29/59/16/170295916.db2.gz YRLXFQIXPNFGPQ-UHFFFAOYSA-N 1 0 218.256 1.213 10 0 BDAERO CCOC(=O)c1ccc(N[C@@H]2CC[N@H+](C)C2)cc1 ZINC000061984945 170296770 /nfs/dbraw/zinc/29/67/70/170296770.db2.gz REYNYLFHSICYJN-CYBMUJFWSA-N 1 0 248.326 1.979 10 0 BDAERO CCOC(=O)c1ccc(N[C@@H]2CC[N@H+](C)C2)nc1 ZINC000042548188 170297162 /nfs/dbraw/zinc/29/71/62/170297162.db2.gz ZVTGZTONHLOZLF-LLVKDONJSA-N 1 0 249.314 1.374 10 0 BDAERO CCOC(=O)c1ccccc1N[C@@H]1CC[N@H+](C)C1 ZINC000061984955 170300373 /nfs/dbraw/zinc/30/03/73/170300373.db2.gz FPNQNJFKTFDSIU-LLVKDONJSA-N 1 0 248.326 1.979 10 0 BDAERO CCOCC(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000037747766 170347442 /nfs/dbraw/zinc/34/74/42/170347442.db2.gz RBCDCIZANWZOST-SNVBAGLBSA-N 1 0 236.315 1.359 10 0 BDAERO CCOCC(C)(C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000339372676 170354965 /nfs/dbraw/zinc/35/49/65/170354965.db2.gz QJLFWMAJBMMOQX-NSHDSACASA-N 1 0 247.379 1.567 10 0 BDAERO CCOCCC[NH2+]CCN(CC)CCOCC ZINC000104195584 170380814 /nfs/dbraw/zinc/38/08/14/170380814.db2.gz XXYLUQNCLKZZRA-UHFFFAOYSA-N 1 0 246.395 1.361 10 0 BDAERO CCOCC[NH2+]CCN1CCc2ccccc2C1 ZINC000053343292 170411352 /nfs/dbraw/zinc/41/13/52/170411352.db2.gz PJXAPIXZBNJYRE-UHFFFAOYSA-N 1 0 248.370 1.671 10 0 BDAERO CCOCC[NH2+]CCN(C)c1cccc(F)c1 ZINC000053436335 170411667 /nfs/dbraw/zinc/41/16/67/170411667.db2.gz QZDMNBYWBPJQQZ-UHFFFAOYSA-N 1 0 240.322 1.888 10 0 BDAERO CC(C)CCC[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657695439 411581125 /nfs/dbraw/zinc/58/11/25/411581125.db2.gz LWINLMUMIHDZPS-LLVKDONJSA-N 1 0 212.337 1.491 10 0 BDAERO Cc1occc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657695760 411581242 /nfs/dbraw/zinc/58/12/42/411581242.db2.gz AKWHIXGXCPGLJZ-JTQLQIEISA-N 1 0 222.288 1.156 10 0 BDAERO O[C@H]1CCC[C@H](C[N@@H+]2CCC23CCOCC3)C1 ZINC000660418555 411582321 /nfs/dbraw/zinc/58/23/21/411582321.db2.gz CHZORVQFSPURPB-STQMWFEESA-N 1 0 239.359 1.792 10 0 BDAERO C[C@H]1CC[C@H]([NH2+]C2CC(CO)C2)CS1 ZINC000657811662 411603541 /nfs/dbraw/zinc/60/35/41/411603541.db2.gz VKQURYZJRAFURN-XEAZBWPWSA-N 1 0 215.362 1.631 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660692783 411617668 /nfs/dbraw/zinc/61/76/68/411617668.db2.gz SDQVLUNYECTOAC-UTLUCORTSA-N 1 0 235.274 1.256 10 0 BDAERO CCOc1ccc(C[C@H](O)C[NH2+]C)cc1 ZINC000041218587 170547927 /nfs/dbraw/zinc/54/79/27/170547927.db2.gz QWBNHLSXHNRDAQ-NSHDSACASA-N 1 0 209.289 1.208 10 0 BDAERO CCOc1cncc(N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000090473246 170601227 /nfs/dbraw/zinc/60/12/27/170601227.db2.gz OUWPJYPZBGDKPR-AWEZNQCLSA-N 1 0 247.342 1.813 10 0 BDAERO CCSCC[NH+]1[C@H](C)COC[C@H]1C ZINC000121926801 170634704 /nfs/dbraw/zinc/63/47/04/170634704.db2.gz NXEATYNHEUXDDT-NXEZZACHSA-N 1 0 203.351 1.849 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2cc(N)n[nH]2)C1 ZINC000616650364 411865352 /nfs/dbraw/zinc/86/53/52/411865352.db2.gz YUSATHDSXLBTPT-JTQLQIEISA-N 1 0 224.308 1.164 10 0 BDAERO CC[C@](C)(O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661630388 411823555 /nfs/dbraw/zinc/82/35/55/411823555.db2.gz ZWTKETDQYBNZEF-QCNOEVLYSA-N 1 0 215.337 1.096 10 0 BDAERO OCC1([NH2+]C[C@@H]2CCC[C@H](O)C2)CCCCC1 ZINC000383436837 487620774 /nfs/dbraw/zinc/62/07/74/487620774.db2.gz CVVISHKHFJESEY-OLZOCXBDSA-N 1 0 241.375 1.822 10 0 BDAERO CC[C@@H](C)NC(=O)[C@H](CC[NH3+])c1ccncc1 ZINC000076618064 170747315 /nfs/dbraw/zinc/74/73/15/170747315.db2.gz XMEXJDWSUBVFQO-ZYHUDNBSSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@@H](C)[NH2+]CC(=O)N(C)CCc1ccncc1 ZINC000048260422 170750725 /nfs/dbraw/zinc/75/07/25/170750725.db2.gz JGYUDSUCZSHCNR-GFCCVEGCSA-N 1 0 249.358 1.471 10 0 BDAERO CC[N@@H+]1CCCC[C@H](c2c[nH]nc2N)C1 ZINC000616602764 411856619 /nfs/dbraw/zinc/85/66/19/411856619.db2.gz OHIAHECXKKFAFD-VIFPVBQESA-N 1 0 208.309 1.581 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2ccnc(N)c2)CC1 ZINC000616594639 411857844 /nfs/dbraw/zinc/85/78/44/411857844.db2.gz QWRGJABWRADNLN-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO CC[N@@H+]1CCCC[C@@H](c2c[nH]nc2N)C1 ZINC000616654834 411858958 /nfs/dbraw/zinc/85/89/58/411858958.db2.gz OHIAHECXKKFAFD-SECBINFHSA-N 1 0 208.309 1.581 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCOC2(CCC2)C1 ZINC000236956028 170777284 /nfs/dbraw/zinc/77/72/84/170777284.db2.gz WYEBIRQBGAQKIU-GHMZBOCLSA-N 1 0 240.347 1.141 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000324471304 487620972 /nfs/dbraw/zinc/62/09/72/487620972.db2.gz HBGOJMMDLOBCLE-CHWSQXEVSA-N 1 0 243.391 1.924 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@@H]1c1c[nH]nc1N ZINC000616613790 411871167 /nfs/dbraw/zinc/87/11/67/411871167.db2.gz AOZQJOHKSNKKHJ-SNVBAGLBSA-N 1 0 208.309 1.927 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@H](c2cc(N)n[nH]2)CC1 ZINC000616600230 411871345 /nfs/dbraw/zinc/87/13/45/411871345.db2.gz ANVJBRDHTZGRQI-SNVBAGLBSA-N 1 0 222.336 1.970 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2ccc(N)nc2)CC1 ZINC000616594621 411871771 /nfs/dbraw/zinc/87/17/71/411871771.db2.gz GTCLBTICFRVRPV-GFCCVEGCSA-N 1 0 235.331 1.836 10 0 BDAERO CC[C@@H]([NH3+])Cc1ccnc(C[C@H]2CCCO2)n1 ZINC000054834852 170866443 /nfs/dbraw/zinc/86/64/43/170866443.db2.gz HKZSMGRKKJBSQO-ZYHUDNBSSA-N 1 0 235.331 1.478 10 0 BDAERO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)C(C)(C)C ZINC000336732945 170891595 /nfs/dbraw/zinc/89/15/95/170891595.db2.gz JSVMONAYWDXCDT-SNVBAGLBSA-N 1 0 247.404 1.978 10 0 BDAERO CC[C@@H]([NH2+]CCCOCCO)C(C)(C)C ZINC000336774376 170894426 /nfs/dbraw/zinc/89/44/26/170894426.db2.gz ZSOJAAQUAHBTQP-LLVKDONJSA-N 1 0 217.353 1.800 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C)C[C@]1(C)CO ZINC000662142634 411992305 /nfs/dbraw/zinc/99/23/05/411992305.db2.gz KTLNFJCYDUIRHG-FRRDWIJNSA-N 1 0 226.364 1.031 10 0 BDAERO CC[C@@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000309283105 170933057 /nfs/dbraw/zinc/93/30/57/170933057.db2.gz UQOJODBCVRJHAG-YNEHKIRRSA-N 1 0 226.364 1.316 10 0 BDAERO CC[C@@H]1CCN(Cc2cnc(C)cn2)CCC[NH2+]1 ZINC000061322542 171011289 /nfs/dbraw/zinc/01/12/89/171011289.db2.gz AYJWPIUFOPFCOI-CYBMUJFWSA-N 1 0 248.374 1.749 10 0 BDAERO CC[C@@H]1CCN(CCc2cccnc2)CC[NH2+]1 ZINC000049662243 171011682 /nfs/dbraw/zinc/01/16/82/171011682.db2.gz SVSCKMFMJUAJNF-CQSZACIVSA-N 1 0 233.359 1.698 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)CCOC)C1 ZINC000300394224 171056208 /nfs/dbraw/zinc/05/62/08/171056208.db2.gz IZEHWGAIEXYENF-FRRDWIJNSA-N 1 0 229.364 1.942 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCn2ncnc21 ZINC000336728895 171060946 /nfs/dbraw/zinc/06/09/46/171060946.db2.gz HINGTJKSVXYOBA-GMTAPVOTSA-N 1 0 220.320 1.891 10 0 BDAERO CC[C@@H]1CN(C)[C@H](Cc2ccccc2)C[NH2+]1 ZINC000082936785 171073763 /nfs/dbraw/zinc/07/37/63/171073763.db2.gz XEDBEUOYTZJFLI-ZIAGYGMSSA-N 1 0 218.344 1.911 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccco1 ZINC000174977454 171099060 /nfs/dbraw/zinc/09/90/60/171099060.db2.gz MNOCLICHISJQSY-VXGBXAGGSA-N 1 0 248.326 1.978 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1nncs1 ZINC000083347106 171101072 /nfs/dbraw/zinc/10/10/72/171101072.db2.gz RHOSQZIBWVUUBH-JGVFFNPUSA-N 1 0 212.322 1.115 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(O)cc1 ZINC000083361414 171101313 /nfs/dbraw/zinc/10/13/13/171101313.db2.gz STXYEWLSNSKAER-WCQYABFASA-N 1 0 234.343 1.965 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccncc1 ZINC000082934995 171101468 /nfs/dbraw/zinc/10/14/68/171101468.db2.gz WVLBDYHGVDWPLJ-WCQYABFASA-N 1 0 219.332 1.654 10 0 BDAERO CC[C@@H]1CN[C@H](C)C[N@@H+]1CCCOC ZINC000082934895 171103590 /nfs/dbraw/zinc/10/35/90/171103590.db2.gz OXSSBZNNBOGHGF-GHMZBOCLSA-N 1 0 200.326 1.095 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1C[C@]1(CC)CC[NH2+]C1 ZINC000062911635 171109859 /nfs/dbraw/zinc/10/98/59/171109859.db2.gz REBGXYGCAKSNRS-BFHYXJOUSA-N 1 0 240.391 1.875 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1CC[NH2+]CCCOC ZINC000053441654 171110020 /nfs/dbraw/zinc/11/00/20/171110020.db2.gz WKQTVYQBBVDVNQ-QWHCGFSZSA-N 1 0 244.379 1.112 10 0 BDAERO CC[C@@H]1[C@@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000082383129 171158302 /nfs/dbraw/zinc/15/83/02/171158302.db2.gz BLZWLQUJBOAUOJ-JGVFFNPUSA-N 1 0 200.282 1.343 10 0 BDAERO CC[C@@](C)(CN)[N@H+](C)C1CCOCC1 ZINC000036320733 171167280 /nfs/dbraw/zinc/16/72/80/171167280.db2.gz XKYMJJZFVPRKDS-NSHDSACASA-N 1 0 200.326 1.225 10 0 BDAERO CC[C@@](C)(O)CN1CC[NH+](C2CCCC2)CC1 ZINC000119416474 171178018 /nfs/dbraw/zinc/17/80/18/171178018.db2.gz MYVXERCSFOMJIH-CQSZACIVSA-N 1 0 240.391 1.708 10 0 BDAERO CC[C@@]1(c2cccs2)C[C@]1(C[NH3+])CO ZINC000070501014 171216421 /nfs/dbraw/zinc/21/64/21/171216421.db2.gz MYUSRMATNGZYRE-QWRGUYRKSA-N 1 0 211.330 1.737 10 0 BDAERO CC[C@H](C(=O)N[C@H]1COc2ccccc21)[NH+](C)C ZINC000155949316 171233944 /nfs/dbraw/zinc/23/39/44/171233944.db2.gz HEKJKHCMYAAYJM-NWDGAFQWSA-N 1 0 248.326 1.577 10 0 BDAERO CC(C)=CCC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000662283707 412074739 /nfs/dbraw/zinc/07/47/39/412074739.db2.gz CQTHHNDJIQJLSD-OLZOCXBDSA-N 1 0 224.348 1.405 10 0 BDAERO C1=CCC(C[N@@H+]2CC[C@H]3OCCN[C@H]3C2)C1 ZINC000662283580 412076141 /nfs/dbraw/zinc/07/61/41/412076141.db2.gz AVNLJXJUGGLYMQ-QWHCGFSZSA-N 1 0 222.332 1.015 10 0 BDAERO CC[C@@H](O)CN1CC[NH+](C[C@@H](C)CC)CC1 ZINC000121229714 171281239 /nfs/dbraw/zinc/28/12/39/171281239.db2.gz PMVDGIPPFVWYGM-QWHCGFSZSA-N 1 0 228.380 1.421 10 0 BDAERO CC[C@H](C)C[NH2+]C1CCS(=O)CC1 ZINC000054469564 171283779 /nfs/dbraw/zinc/28/37/79/171283779.db2.gz LRFRBISYOCSAIY-JBLZRFIASA-N 1 0 203.351 1.533 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+]CCN(CC)CC ZINC000038014774 171322431 /nfs/dbraw/zinc/32/24/31/171322431.db2.gz UPRGRJDEPJCSBW-LBPRGKRZSA-N 1 0 243.395 1.223 10 0 BDAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])C(C)C ZINC000076582840 171326991 /nfs/dbraw/zinc/32/69/91/171326991.db2.gz FQOXKIHZBBHGEP-VHSXEESVSA-N 1 0 200.326 1.522 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCc1ccco1 ZINC000037980840 171334323 /nfs/dbraw/zinc/33/43/23/171334323.db2.gz JVLMEBXDRFKYDV-QWRGUYRKSA-N 1 0 238.331 1.715 10 0 BDAERO CC[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000020036667 171342727 /nfs/dbraw/zinc/34/27/27/171342727.db2.gz IKZRGTATPZGWOC-QMMMGPOBSA-N 1 0 224.279 1.813 10 0 BDAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCc2ccccc21 ZINC000038065233 171349576 /nfs/dbraw/zinc/34/95/76/171349576.db2.gz PIGLTQGMDHMKJE-IINYFYTJSA-N 1 0 232.327 1.702 10 0 BDAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCCSC1 ZINC000061590472 171349866 /nfs/dbraw/zinc/34/98/66/171349866.db2.gz VPRZLOUZRNKCEK-WCBMZHEXSA-N 1 0 216.350 1.126 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020133302 171367038 /nfs/dbraw/zinc/36/70/38/171367038.db2.gz OEQRCJNYXISDFM-IVZWLZJFSA-N 1 0 219.350 1.198 10 0 BDAERO CC[C@H](C)[C@@H](CN)[N@H+](CCCOC)CCOC ZINC000042420764 171368482 /nfs/dbraw/zinc/36/84/82/171368482.db2.gz IAYUIOJHAQQMTR-QWHCGFSZSA-N 1 0 246.395 1.345 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000037769571 171372384 /nfs/dbraw/zinc/37/23/84/171372384.db2.gz OMJLLDXAOSKKMG-QPUJVOFHSA-N 1 0 246.314 1.875 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CN1C[C@@H](C)O[C@@H](C)C1 ZINC000020071792 171372751 /nfs/dbraw/zinc/37/27/51/171372751.db2.gz AEOMCVPJECVQNP-YFKTTZPYSA-N 1 0 214.353 1.469 10 0 BDAERO CC[C@H](C)[C@@](C)([NH2+]C1CCCC1)C(N)=O ZINC000037968630 171382191 /nfs/dbraw/zinc/38/21/91/171382191.db2.gz WQNQJSVVXBETMF-JOYOIKCWSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790296 171388932 /nfs/dbraw/zinc/38/89/32/171388932.db2.gz RHHMXWYRZLDZNM-SDDRHHMPSA-N 1 0 214.353 1.341 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CN(CCCOC)CCOC ZINC000042425424 171396521 /nfs/dbraw/zinc/39/65/21/171396521.db2.gz BDKMOKGOXSCHRA-QWHCGFSZSA-N 1 0 246.395 1.345 10 0 BDAERO C[C@@H]1C[N@H+](CC2(O)CCC2)C[C@](C)(C(F)F)O1 ZINC000662358375 412124019 /nfs/dbraw/zinc/12/40/19/412124019.db2.gz OGEVBCZYMSQTJY-MWLCHTKSSA-N 1 0 249.301 1.646 10 0 BDAERO CC[C@H]([NH3+])Cc1cnc(-c2ncccn2)nc1 ZINC000054858267 171485967 /nfs/dbraw/zinc/48/59/67/171485967.db2.gz WQFFFNGFJJYKAJ-JTQLQIEISA-N 1 0 229.287 1.213 10 0 BDAERO CC[C@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000035411242 171491864 /nfs/dbraw/zinc/49/18/64/171491864.db2.gz SDBFUAGGHGNRFQ-ZETCQYMHSA-N 1 0 233.271 1.744 10 0 BDAERO CC[C@H]([NH2+][C@H](C)CC(N)=O)C(C)(C)C ZINC000308572573 171544256 /nfs/dbraw/zinc/54/42/56/171544256.db2.gz CMIPQPNZYUFBNQ-BDAKNGLRSA-N 1 0 200.326 1.665 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](CCF)C2)C1 ZINC000662688235 412272204 /nfs/dbraw/zinc/27/22/04/412272204.db2.gz NOMINHNDXDPIOR-QJPTWQEYSA-N 1 0 242.338 1.712 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000662705177 412276881 /nfs/dbraw/zinc/27/68/81/412276881.db2.gz NCLVCXAIIPXNEG-BJDJZHNGSA-N 1 0 222.332 1.243 10 0 BDAERO COc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1C ZINC000662571465 412223682 /nfs/dbraw/zinc/22/36/82/412223682.db2.gz PGFORUDRHVMOOX-BXKDBHETSA-N 1 0 248.326 1.423 10 0 BDAERO CC[C@H]1[C@@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000082383130 171687257 /nfs/dbraw/zinc/68/72/57/171687257.db2.gz BLZWLQUJBOAUOJ-YUMQZZPRSA-N 1 0 200.282 1.343 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(C)(F)F ZINC000662898091 412338559 /nfs/dbraw/zinc/33/85/59/412338559.db2.gz KLQDOSXVDQDVGT-RNFRBKRXSA-N 1 0 208.252 1.131 10 0 BDAERO C[C@]1(C(=O)NC2CC3(CCC3)C2)CCCC[NH2+]1 ZINC000662905352 412341210 /nfs/dbraw/zinc/34/12/10/412341210.db2.gz AYIDLHFKKVZLFI-CYBMUJFWSA-N 1 0 236.359 1.968 10 0 BDAERO [NH3+]C1CCC(C(=O)N2CC[C@H]3C[C@H]3C2)CC1 ZINC000662911970 412343988 /nfs/dbraw/zinc/34/39/88/412343988.db2.gz FHLAHBWWUFPTLP-YECOWLKZSA-N 1 0 222.332 1.372 10 0 BDAERO [NH3+]C1CCC(C(=O)NCC2=CCCC2)CC1 ZINC000662916747 412344399 /nfs/dbraw/zinc/34/43/99/412344399.db2.gz WNYFXRVNSWJLEO-UHFFFAOYSA-N 1 0 222.332 1.730 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC(C)(C1CC1)C1CC1 ZINC000662915361 412344636 /nfs/dbraw/zinc/34/46/36/412344636.db2.gz LTGAADNSJXYDFF-LLVKDONJSA-N 1 0 224.348 1.809 10 0 BDAERO CC[C@@H](C)CC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662983601 412363177 /nfs/dbraw/zinc/36/31/77/412363177.db2.gz DIPQWYDFDIKWKC-SFYZADRCSA-N 1 0 240.269 1.771 10 0 BDAERO CC(C)[C@H](C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662982582 412363273 /nfs/dbraw/zinc/36/32/73/412363273.db2.gz WDOXEAGDUDHBFU-JGVFFNPUSA-N 1 0 240.269 1.627 10 0 BDAERO CCc1c(C)nn([C@@H]2COCC[C@@H]2[NH3+])c1C ZINC000040731949 171741346 /nfs/dbraw/zinc/74/13/46/171741346.db2.gz AOCGZSJYXFTCBT-NWDGAFQWSA-N 1 0 223.320 1.351 10 0 BDAERO CC[C@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)CCS1 ZINC000132988691 412385355 /nfs/dbraw/zinc/38/53/55/412385355.db2.gz TXRXUBNUECNINH-WDEREUQCSA-N 1 0 244.404 1.714 10 0 BDAERO CCc1cc(N[C@@H](C)C[NH2+]C)nc(C)n1 ZINC000663278417 412401108 /nfs/dbraw/zinc/40/11/08/412401108.db2.gz IBPTXCQWZNTODR-QMMMGPOBSA-N 1 0 208.309 1.367 10 0 BDAERO CCCc1nccnc1N1CC[C@H]([NH3+])[C@H]1C ZINC000663271675 412404394 /nfs/dbraw/zinc/40/43/94/412404394.db2.gz FJXGOPFOTKJBBN-ZJUUUORDSA-N 1 0 220.320 1.355 10 0 BDAERO c1ccc2[nH]c(NCC34CC(C3)C[NH2+]4)nc2c1 ZINC000663273896 412404423 /nfs/dbraw/zinc/40/44/23/412404423.db2.gz KLCQGIFSFMSASB-UHFFFAOYSA-N 1 0 228.299 1.727 10 0 BDAERO CCCc1nccnc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000663275315 412405362 /nfs/dbraw/zinc/40/53/62/412405362.db2.gz WAPPUAVCVMRJJQ-QWRGUYRKSA-N 1 0 234.347 1.968 10 0 BDAERO C[NH2+]C[C@H](C)Nc1cc(C(C)C)ncn1 ZINC000663278213 412407588 /nfs/dbraw/zinc/40/75/88/412407588.db2.gz DNEAMTROUCSILX-VIFPVBQESA-N 1 0 208.309 1.620 10 0 BDAERO OCc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000133104207 412411138 /nfs/dbraw/zinc/41/11/38/412411138.db2.gz JCCLCDLWOHYESN-ZIAGYGMSSA-N 1 0 235.327 1.430 10 0 BDAERO CCc1ccc(C[C@H](O)[C@H]2CCC[NH2+]2)cc1 ZINC000041232906 171814984 /nfs/dbraw/zinc/81/49/84/171814984.db2.gz ISVCYCUVKFAPAK-KGLIPLIRSA-N 1 0 219.328 1.904 10 0 BDAERO CCc1cccc(C)c1NC[C@H](O)CC[NH3+] ZINC000071524688 171854385 /nfs/dbraw/zinc/85/43/85/171854385.db2.gz UDXDSVXDFVBADX-GFCCVEGCSA-N 1 0 222.332 1.679 10 0 BDAERO CCc1nc(C)c(C)c(N2CC[C@H]([NH3+])C2)n1 ZINC000045954739 171953233 /nfs/dbraw/zinc/95/32/33/171953233.db2.gz LEULPISDJGOTTK-JTQLQIEISA-N 1 0 220.320 1.193 10 0 BDAERO CCc1[nH+]c2cc(N)ccc2n1CCNC(C)=O ZINC000052852848 172010589 /nfs/dbraw/zinc/01/05/89/172010589.db2.gz USITUBKDSMQZOO-UHFFFAOYSA-N 1 0 246.314 1.317 10 0 BDAERO CCc1nc2ccccc2n1CC[NH2+]C ZINC000049474498 172013271 /nfs/dbraw/zinc/01/32/71/172013271.db2.gz GKULBOQWOQARNX-UHFFFAOYSA-N 1 0 203.289 1.818 10 0 BDAERO CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](C)CC)CC2 ZINC000120540883 172014751 /nfs/dbraw/zinc/01/47/51/172014751.db2.gz OABIDCYDPMWBQG-WDEREUQCSA-N 1 0 236.363 1.791 10 0 BDAERO CCc1ncnc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000045954953 172032149 /nfs/dbraw/zinc/03/21/49/172032149.db2.gz POXRCROUFOWLDP-NSHDSACASA-N 1 0 234.347 1.759 10 0 BDAERO CCc1nnc(C[NH2+]C2(C(C)C)CC2)n1C ZINC000339510600 172051514 /nfs/dbraw/zinc/05/15/14/172051514.db2.gz VOIQHPGKPPZCBJ-UHFFFAOYSA-N 1 0 222.336 1.656 10 0 BDAERO CCc1nnc(C[NH2+][C@H]2CSC[C@H]2C)n1C ZINC000309938666 172053963 /nfs/dbraw/zinc/05/39/63/172053963.db2.gz AYAUTQHCDWVRQH-BDAKNGLRSA-N 1 0 240.376 1.219 10 0 BDAERO CCc1nnc2sc([C@H]3CCC[NH2+]3)nn12 ZINC000032014506 172069026 /nfs/dbraw/zinc/06/90/26/172069026.db2.gz CYLZAONTWABSCW-ZCFIWIBFSA-N 1 0 223.305 1.173 10 0 BDAERO CCn1c2ccc([C@H](C)[NH3+])cc2oc1=O ZINC000051363211 172133893 /nfs/dbraw/zinc/13/38/93/172133893.db2.gz KFOKWSNBZSIXJQ-ZETCQYMHSA-N 1 0 206.245 1.634 10 0 BDAERO CCn1cccc1C[NH2+]C1CCN(C)CC1 ZINC000085608719 172207109 /nfs/dbraw/zinc/20/71/09/172207109.db2.gz LDFVHOIJKIXOCT-UHFFFAOYSA-N 1 0 221.348 1.692 10 0 BDAERO CCn1cccc1C[NH2+]C[C@](C)(O)CSC ZINC000230152098 172208288 /nfs/dbraw/zinc/20/82/88/172208288.db2.gz XEUWJWUZQODPQF-LBPRGKRZSA-N 1 0 242.388 1.712 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)C[S@](C)=O ZINC000228975208 172208755 /nfs/dbraw/zinc/20/87/55/172208755.db2.gz NAYAQXUKDXQPTP-BONVTDFDSA-N 1 0 228.361 1.365 10 0 BDAERO CCn1ccnc1OC1CCC([NH3+])CC1 ZINC000055143431 172228494 /nfs/dbraw/zinc/22/84/94/172228494.db2.gz RGFSBXMGZIWCEQ-UHFFFAOYSA-N 1 0 209.293 1.552 10 0 BDAERO CCn1cnnc1-c1ccc(CC[NH3+])cc1 ZINC000054497798 172232718 /nfs/dbraw/zinc/23/27/18/172232718.db2.gz SOUMADUGZWHQPO-UHFFFAOYSA-N 1 0 216.288 1.466 10 0 BDAERO CCn1cnnc1CCC1CC[NH2+]CC1 ZINC000054497746 172234761 /nfs/dbraw/zinc/23/47/61/172234761.db2.gz PYAUMMIFWOHYFQ-UHFFFAOYSA-N 1 0 208.309 1.230 10 0 BDAERO CCn1cnnc1[C@]1([NH3+])CCC[C@@H](C)C1 ZINC000054497767 172239527 /nfs/dbraw/zinc/23/95/27/172239527.db2.gz NJKUEBYKWQCVOD-KOLCDFICSA-N 1 0 208.309 1.662 10 0 BDAERO CCn1ncnc1C[C@@H]([NH3+])c1ccccc1 ZINC000054498915 172285512 /nfs/dbraw/zinc/28/55/12/172285512.db2.gz PNTFCIOPUPQGDS-LLVKDONJSA-N 1 0 216.288 1.541 10 0 BDAERO CN(C(=[NH2+])NC1CCCCC1)C1CCOCC1 ZINC000052045610 172291603 /nfs/dbraw/zinc/29/16/03/172291603.db2.gz CSPTZROSNBGBHW-UHFFFAOYSA-N 1 0 239.363 1.954 10 0 BDAERO CN(C(=O)C(C)(C)[NH3+])C1CCCCCC1 ZINC000040920977 172295743 /nfs/dbraw/zinc/29/57/43/172295743.db2.gz YBYUAGDZDIUQQZ-UHFFFAOYSA-N 1 0 212.337 1.905 10 0 BDAERO CN(C(=O)C[NH3+])c1c(Cl)cccc1Cl ZINC000020262090 172308121 /nfs/dbraw/zinc/30/81/21/172308121.db2.gz VWKKRARSGJNSLC-UHFFFAOYSA-N 1 0 233.098 1.915 10 0 BDAERO CN(C(=O)C[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000049304979 172311179 /nfs/dbraw/zinc/31/11/79/172311179.db2.gz FOAAXROTKWIKLR-AWEZNQCLSA-N 1 0 244.338 1.884 10 0 BDAERO CN(C(=O)N1CCCCC1)C(C)(C)C[NH3+] ZINC000082642286 172317471 /nfs/dbraw/zinc/31/74/71/172317471.db2.gz PRKUACNIWBXRBZ-UHFFFAOYSA-N 1 0 213.325 1.261 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCSC1 ZINC000084309323 172327657 /nfs/dbraw/zinc/32/76/57/172327657.db2.gz GNSCXUKKSWDJPZ-GMTAPVOTSA-N 1 0 242.388 1.325 10 0 BDAERO CN(C(=O)[C@@H]1Cc2ccccc2S1)C1C[NH2+]C1 ZINC000092232499 172330791 /nfs/dbraw/zinc/33/07/91/172330791.db2.gz UTIDICJFLJTQPL-LBPRGKRZSA-N 1 0 248.351 1.134 10 0 BDAERO CN(C(=O)c1ccc2ccccc2c1)C1C[NH2+]C1 ZINC000090289689 172341483 /nfs/dbraw/zinc/34/14/83/172341483.db2.gz BRYLFYWOTIYRRM-UHFFFAOYSA-N 1 0 240.306 1.884 10 0 BDAERO CN(C(=O)c1cccc(O)c1)[C@H]1CCC[NH2+]C1 ZINC000037540969 172342640 /nfs/dbraw/zinc/34/26/40/172342640.db2.gz SZMYHMNDDWTHHE-NSHDSACASA-N 1 0 234.299 1.216 10 0 BDAERO CN(C(=O)c1ccoc1)[C@H]1CCC[NH2+]C1 ZINC000037470149 172345452 /nfs/dbraw/zinc/34/54/52/172345452.db2.gz ZNZFCDKIYNVIMV-JTQLQIEISA-N 1 0 208.261 1.104 10 0 BDAERO CN(C(=O)c1csc2ccccc12)C1C[NH2+]C1 ZINC000090289762 172347676 /nfs/dbraw/zinc/34/76/76/172347676.db2.gz BFNUCKIUSROQER-UHFFFAOYSA-N 1 0 246.335 1.945 10 0 BDAERO CN(C)C(=O)CCCOc1ccc(C[NH3+])cc1 ZINC000043447910 172358006 /nfs/dbraw/zinc/35/80/06/172358006.db2.gz QNIWWUBITHMSNP-UHFFFAOYSA-N 1 0 236.315 1.393 10 0 BDAERO CN(C)C(=O)CCOc1cccc(F)c1C[NH3+] ZINC000037897525 172361336 /nfs/dbraw/zinc/36/13/36/172361336.db2.gz FITOCSHFVBPJFY-UHFFFAOYSA-N 1 0 240.278 1.142 10 0 BDAERO CN(C)C(=O)C[NH2+][C@H]1CCc2ccccc21 ZINC000037117160 172371130 /nfs/dbraw/zinc/37/11/30/172371130.db2.gz LTWITJHMSLDFAT-LBPRGKRZSA-N 1 0 218.300 1.352 10 0 BDAERO CN(C)C(=O)COc1ccc(C[NH2+]C2CC2)cc1 ZINC000034658220 172372901 /nfs/dbraw/zinc/37/29/01/172372901.db2.gz YYWYUCGAIZKTJM-UHFFFAOYSA-N 1 0 248.326 1.406 10 0 BDAERO CN(C)C(=O)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC000096227835 172384313 /nfs/dbraw/zinc/38/43/13/172384313.db2.gz QUXJYDQHPXVBBZ-SNVBAGLBSA-N 1 0 210.321 1.245 10 0 BDAERO CN(C)C1=[NH+]c2ccccc2NC(=O)C1 ZINC000005706904 172405650 /nfs/dbraw/zinc/40/56/50/172405650.db2.gz SZOFIRPATPUCFF-UHFFFAOYSA-N 1 0 203.245 1.620 10 0 BDAERO Cn1c(=O)sc2c1[C@H](C[NH+](C)C)CCC2 ZINC000039110912 172487038 /nfs/dbraw/zinc/48/70/38/172487038.db2.gz WKDCZNKMPNGPKN-QMMMGPOBSA-N 1 0 226.345 1.428 10 0 BDAERO CN(C)Nc1[nH+]cnc(NC2CCCC2)c1N ZINC000040760113 172510081 /nfs/dbraw/zinc/51/00/81/172510081.db2.gz YAXCLJVHLLSKBK-UHFFFAOYSA-N 1 0 236.323 1.302 10 0 BDAERO CN(C)c1ccc([C@H](O)[C@@H]2CCC[NH2+]2)cc1 ZINC000041234258 172560444 /nfs/dbraw/zinc/56/04/44/172560444.db2.gz RQMCPVKERIUEMM-STQMWFEESA-N 1 0 220.316 1.538 10 0 BDAERO CN(CC(=O)c1ccco1)[C@H]1CCC[NH2+]C1 ZINC000095070692 172619634 /nfs/dbraw/zinc/61/96/34/172619634.db2.gz ANGMLBXVIJFNHK-JTQLQIEISA-N 1 0 222.288 1.146 10 0 BDAERO CN(CCOc1cccc(F)c1)C(=O)CC[NH3+] ZINC000037816421 172772035 /nfs/dbraw/zinc/77/20/35/172772035.db2.gz OEQVOFQLKGSXOU-UHFFFAOYSA-N 1 0 240.278 1.012 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)c1nc2cccnc2[nH]1 ZINC000095070986 172810197 /nfs/dbraw/zinc/81/01/97/172810197.db2.gz GYDZDIQQJDETGW-VIFPVBQESA-N 1 0 231.303 1.146 10 0 BDAERO C[NH+]1CCC(c2cccccc2=O)CC1 ZINC000027998573 173002305 /nfs/dbraw/zinc/00/23/05/173002305.db2.gz WWMPIXLIJOSIMP-UHFFFAOYSA-N 1 0 203.285 1.856 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC000044562234 173004173 /nfs/dbraw/zinc/00/41/73/173004173.db2.gz SBDGMNFUBQSUAZ-OLZOCXBDSA-N 1 0 226.364 1.629 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccncc1 ZINC000044561998 173004746 /nfs/dbraw/zinc/00/47/46/173004746.db2.gz OFJOSTFYQHPJTN-CYBMUJFWSA-N 1 0 219.332 1.656 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]C1(CO)CCCC1 ZINC000054243953 173005838 /nfs/dbraw/zinc/00/58/38/173005838.db2.gz GZWYZKCGESGAKX-GFCCVEGCSA-N 1 0 226.364 1.365 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]Cc1cncs1 ZINC000054788392 173009208 /nfs/dbraw/zinc/00/92/08/173009208.db2.gz BKDZHGIOCHQZDK-JTQLQIEISA-N 1 0 225.361 1.717 10 0 BDAERO C[N@@H+]1CCCN(Cc2ccc(O)c(N)c2)CC1 ZINC000037272951 173016671 /nfs/dbraw/zinc/01/66/71/173016671.db2.gz MUYMAZWLXZJVMN-UHFFFAOYSA-N 1 0 235.331 1.112 10 0 BDAERO C[N@@H+]1CCCN(c2cccc(F)c2N)CC1 ZINC000037419108 173019277 /nfs/dbraw/zinc/01/92/77/173019277.db2.gz RTGQKXGVYIEBHX-UHFFFAOYSA-N 1 0 223.295 1.550 10 0 BDAERO Cn1nc([C@@H]2CCC[N@H+](C)C2)c2c1NCCCC2 ZINC000003697852 173023256 /nfs/dbraw/zinc/02/32/56/173023256.db2.gz XRWBTFJARRSWHO-LLVKDONJSA-N 1 0 248.374 1.978 10 0 BDAERO CN1CCC[C@@]([NH3+])(c2cccc(F)c2)C1 ZINC000084387311 173036836 /nfs/dbraw/zinc/03/68/36/173036836.db2.gz SLWOCFLMQQMZMM-LBPRGKRZSA-N 1 0 208.280 1.705 10 0 BDAERO C[N@@H+]1CCC[C@@H]1[C@](C)(O)c1ccc(O)cc1 ZINC000328579519 173036864 /nfs/dbraw/zinc/03/68/64/173036864.db2.gz NCOJGMWSQHQPRG-CHWSQXEVSA-N 1 0 221.300 1.694 10 0 BDAERO CN(Cc1csc(N)n1)[C@H]1CCC[N@H+](C)C1 ZINC000053245407 173043639 /nfs/dbraw/zinc/04/36/39/173043639.db2.gz PFOOCLURZDUFAT-JTQLQIEISA-N 1 0 240.376 1.251 10 0 BDAERO CN(c1cccc(CO)n1)[C@H]1CCC[N@H+](C)C1 ZINC000053247093 173044933 /nfs/dbraw/zinc/04/49/33/173044933.db2.gz VYZWCSKLGARZFY-LBPRGKRZSA-N 1 0 235.331 1.104 10 0 BDAERO CN(c1ncccc1N)[C@H]1CCC[N@H+](C)C1 ZINC000053205864 173045156 /nfs/dbraw/zinc/04/51/56/173045156.db2.gz KRTUWXGKQWMPBM-JTQLQIEISA-N 1 0 220.320 1.194 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ccc(F)cn2)C1 ZINC000041045455 173045814 /nfs/dbraw/zinc/04/58/14/173045814.db2.gz IJEKTOPIBTXGLV-JTQLQIEISA-N 1 0 209.268 1.727 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2cccc(N)c2)C1 ZINC000040715746 173046614 /nfs/dbraw/zinc/04/66/14/173046614.db2.gz JOHHJDDPUUSSRM-LBPRGKRZSA-N 1 0 205.305 1.775 10 0 BDAERO C[N@@H+]1CCC[C@]12CCN(c1cccnn1)C2 ZINC000090505026 173061250 /nfs/dbraw/zinc/06/12/50/173061250.db2.gz FAKUAZZHTJYIHU-GFCCVEGCSA-N 1 0 218.304 1.151 10 0 BDAERO CN1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000071518080 173097776 /nfs/dbraw/zinc/09/77/76/173097776.db2.gz WEILTHLBJIPFPQ-NSHDSACASA-N 1 0 210.708 1.916 10 0 BDAERO CN1CCO[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000082432929 173102633 /nfs/dbraw/zinc/10/26/33/173102633.db2.gz CJRNOJAKLPAGNL-JTQLQIEISA-N 1 0 226.345 1.168 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(O)c1 ZINC000071190598 173112699 /nfs/dbraw/zinc/11/26/99/173112699.db2.gz XFZLYFZFSWZZCM-LLVKDONJSA-N 1 0 248.326 1.416 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(N)cc1F ZINC000071188415 173113669 /nfs/dbraw/zinc/11/36/69/173113669.db2.gz DPHPDPGBVAJQHO-SNVBAGLBSA-N 1 0 237.322 1.796 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2ncnc(Cl)c2N)C1 ZINC000062363004 173116866 /nfs/dbraw/zinc/11/68/66/173116866.db2.gz RUATXTAMVSGULQ-ZETCQYMHSA-N 1 0 241.726 1.076 10 0 BDAERO C[N@@H+]1CC[C@@H](CNCc2cncs2)C1 ZINC000054788119 173117774 /nfs/dbraw/zinc/11/77/74/173117774.db2.gz JRPGEWZOHZGDRX-VIFPVBQESA-N 1 0 211.334 1.184 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2ccc(N)nc2)C1 ZINC000037484612 173118125 /nfs/dbraw/zinc/11/81/25/173118125.db2.gz KDFPMFGGZGDLFW-VIFPVBQESA-N 1 0 206.293 1.027 10 0 BDAERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000042550119 173124692 /nfs/dbraw/zinc/12/46/92/173124692.db2.gz DOBGDTQXJBREQZ-SNVBAGLBSA-N 1 0 243.310 1.602 10 0 BDAERO C[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000014441464 173139146 /nfs/dbraw/zinc/13/91/46/173139146.db2.gz PNYGHERLKSFRMH-LBPRGKRZSA-N 1 0 202.257 1.212 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(C)(C)C ZINC000112826899 173143535 /nfs/dbraw/zinc/14/35/35/173143535.db2.gz GCLJUNAICLIEMV-JTQLQIEISA-N 1 0 212.337 1.443 10 0 BDAERO CN1CC[C@](CN)([N@H+](C)C2CCCCC2)C1 ZINC000061990035 173162202 /nfs/dbraw/zinc/16/22/02/173162202.db2.gz NYAYUFMJEASGLK-CYBMUJFWSA-N 1 0 225.380 1.284 10 0 BDAERO CN1CCc2cc([C@@H](O)CC[NH3+])ccc21 ZINC000074361818 173172120 /nfs/dbraw/zinc/17/21/20/173172120.db2.gz GSRQDJTVDRAAFI-LBPRGKRZSA-N 1 0 206.289 1.061 10 0 BDAERO CN1Cc2nc([C@@H]3CCC[NH2+]3)sc2C1 ZINC000082374818 173202734 /nfs/dbraw/zinc/20/27/34/173202734.db2.gz XRWROTRNBOPEPD-ZETCQYMHSA-N 1 0 209.318 1.513 10 0 BDAERO CN1c2cccc(F)c2C[C@@H]1C1=[NH+]CCN1 ZINC000028090692 173208518 /nfs/dbraw/zinc/20/85/18/173208518.db2.gz LYCSDBYMKCOPNV-LLVKDONJSA-N 1 0 219.263 1.188 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000084499586 173278209 /nfs/dbraw/zinc/27/82/09/173278209.db2.gz DSUCVCUUGHGMMQ-QMMMGPOBSA-N 1 0 210.252 1.222 10 0 BDAERO CNC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000037207617 173278579 /nfs/dbraw/zinc/27/85/79/173278579.db2.gz PNWCLMYBWLBFMH-SSDOTTSWSA-N 1 0 228.242 1.361 10 0 BDAERO CNC(=O)C[NH2+][C@H]1CSCc2ccccc21 ZINC000037254196 173278632 /nfs/dbraw/zinc/27/86/32/173278632.db2.gz HCZHXKCEDXHTIR-NSHDSACASA-N 1 0 236.340 1.310 10 0 BDAERO CNC(=O)C[C@H]([NH3+])c1cccc(Cl)c1 ZINC000041226570 173283024 /nfs/dbraw/zinc/28/30/24/173283024.db2.gz JHCFIFQRFODSFR-VIFPVBQESA-N 1 0 212.680 1.476 10 0 BDAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000104434945 173288809 /nfs/dbraw/zinc/28/88/09/173288809.db2.gz IKGQDTOKSLMCED-VIFPVBQESA-N 1 0 241.335 1.000 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccccc1C[C@@H](C)[NH3+] ZINC000037724469 173295887 /nfs/dbraw/zinc/29/58/87/173295887.db2.gz OPYUQVDAKFRXCO-NXEZZACHSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc([C@H](C)[NH2+]C)cc1 ZINC000034818835 173296188 /nfs/dbraw/zinc/29/61/88/173296188.db2.gz CIGXVRSFGDKEAH-VHSXEESVSA-N 1 0 236.315 1.480 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000130519872 173303324 /nfs/dbraw/zinc/30/33/24/173303324.db2.gz KSFBTGFPTWLUKD-ZJUUUORDSA-N 1 0 236.315 1.047 10 0 BDAERO CNC(=O)c1cc(OC2CC2)ccc1C[NH3+] ZINC000095738030 173309966 /nfs/dbraw/zinc/30/99/66/173309966.db2.gz KWPQVOOFXPJTEU-UHFFFAOYSA-N 1 0 220.272 1.046 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)C1CCCCC1 ZINC000061300180 173317688 /nfs/dbraw/zinc/31/76/88/173317688.db2.gz NUDDAYPEPPUIRU-UHFFFAOYSA-N 1 0 212.337 1.776 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1csc(C)n1 ZINC000061319019 173317632 /nfs/dbraw/zinc/31/76/32/173317632.db2.gz AABFUMPVTCQPAF-UHFFFAOYSA-N 1 0 241.360 1.408 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccncc1)C1CC1 ZINC000061317027 173317776 /nfs/dbraw/zinc/31/77/76/173317776.db2.gz YZDHAPVJAOSWSR-UHFFFAOYSA-N 1 0 247.342 1.571 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCC(C)(C)CC1 ZINC000061820984 173317846 /nfs/dbraw/zinc/31/78/46/173317846.db2.gz JEDLTROTCRYORP-UHFFFAOYSA-N 1 0 212.337 1.633 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cc(C)ccn1 ZINC000061300305 173318355 /nfs/dbraw/zinc/31/83/55/173318355.db2.gz XUTKCFXBMAJOEL-UHFFFAOYSA-N 1 0 207.277 1.327 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccco1 ZINC000061300460 173318463 /nfs/dbraw/zinc/31/84/63/173318463.db2.gz BEOKTEPKSCWCRQ-MRVPVSSYSA-N 1 0 210.277 1.455 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1c(F)cccc1F ZINC000061300339 173318729 /nfs/dbraw/zinc/31/87/29/173318729.db2.gz DZOOFGRMUBJSHY-UHFFFAOYSA-N 1 0 228.242 1.901 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ncc(C)s1 ZINC000061300193 173319423 /nfs/dbraw/zinc/31/94/23/173319423.db2.gz DGYPCKQIEJSLDJ-UHFFFAOYSA-N 1 0 213.306 1.388 10 0 BDAERO C[NH2+]C(C)(C)c1nnc(-c2ccccc2)[nH]1 ZINC000061152020 173321636 /nfs/dbraw/zinc/32/16/36/173321636.db2.gz HYUXILKVHRENBT-UHFFFAOYSA-N 1 0 216.288 1.926 10 0 BDAERO C[NH2+]C1CCC(NC(=O)C2CCCC2)CC1 ZINC000036880495 173321972 /nfs/dbraw/zinc/32/19/72/173321972.db2.gz IAWWGEPBGQJNOJ-UHFFFAOYSA-N 1 0 224.348 1.823 10 0 BDAERO C[NH2+]C1(c2nc(C)c(C)s2)CCN(C)CC1 ZINC000041060614 173322241 /nfs/dbraw/zinc/32/22/41/173322241.db2.gz WEBRNSRRQQBTEZ-UHFFFAOYSA-N 1 0 239.388 1.900 10 0 BDAERO C[NH2+]C1CCC(NC(=O)NC(C)(C)C)CC1 ZINC000036880929 173322273 /nfs/dbraw/zinc/32/22/73/173322273.db2.gz MPKWRYKDHJCNHK-UHFFFAOYSA-N 1 0 227.352 1.615 10 0 BDAERO C[NH2+]CC(=O)c1ccc2ccccc2n1 ZINC000083283413 173336718 /nfs/dbraw/zinc/33/67/18/173336718.db2.gz UAKUPSSPTHPKSF-UHFFFAOYSA-N 1 0 200.241 1.637 10 0 BDAERO C[NH2+]CC1(CN2CCSCC2)CCOCC1 ZINC000052181135 173337538 /nfs/dbraw/zinc/33/75/38/173337538.db2.gz DIRJELNHOUJJRA-UHFFFAOYSA-N 1 0 244.404 1.051 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc2[nH]cnc2c1 ZINC000077365992 173341938 /nfs/dbraw/zinc/34/19/38/173341938.db2.gz PBEVUGBQYOMXOK-UHFFFAOYSA-N 1 0 233.271 1.216 10 0 BDAERO C[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075940 173358323 /nfs/dbraw/zinc/35/83/23/173358323.db2.gz BFGCSPMSQGLQIH-SNVBAGLBSA-N 1 0 228.336 1.853 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1ccc(C)cc1 ZINC000077334572 173358402 /nfs/dbraw/zinc/35/84/02/173358402.db2.gz ZCGDSDAMXHCUDN-CYBMUJFWSA-N 1 0 222.332 1.402 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1cccc(Cl)c1 ZINC000077391688 173359215 /nfs/dbraw/zinc/35/92/15/173359215.db2.gz MUUICMWOHXDZPU-LBPRGKRZSA-N 1 0 242.750 1.747 10 0 BDAERO C[NH2+]CCc1c(C)nc(C(C)C)nc1C ZINC000054838027 173359578 /nfs/dbraw/zinc/35/95/78/173359578.db2.gz AMSYTTKGQIBJRW-UHFFFAOYSA-N 1 0 207.321 1.979 10 0 BDAERO C[NH2+]CCc1nc2ccc(F)cc2n1C ZINC000052124555 173361192 /nfs/dbraw/zinc/36/11/92/173361192.db2.gz MJIBNOQLHFNBRN-UHFFFAOYSA-N 1 0 207.252 1.474 10 0 BDAERO C[NH2+]CCn1ccnc1-c1cccs1 ZINC000045048117 173361745 /nfs/dbraw/zinc/36/17/45/173361745.db2.gz YIQPMPIMWWLDKJ-UHFFFAOYSA-N 1 0 207.302 1.831 10 0 BDAERO C[NH2+]CCc1nnc(Cc2cccc(C)c2)o1 ZINC000052137874 173362073 /nfs/dbraw/zinc/36/20/73/173362073.db2.gz LNJCIDTVZWJHEA-UHFFFAOYSA-N 1 0 231.299 1.731 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000052700302 173364841 /nfs/dbraw/zinc/36/48/41/173364841.db2.gz XHAJUWBAEKWPAC-SSDOTTSWSA-N 1 0 201.216 1.952 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc2cc(C)ccc2o1 ZINC000082379585 173365576 /nfs/dbraw/zinc/36/55/76/173365576.db2.gz FJUIOAYZEPOGPI-SNVBAGLBSA-N 1 0 205.257 1.994 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1cc(C)ccc1OC ZINC000041218613 173365588 /nfs/dbraw/zinc/36/55/88/173365588.db2.gz VXOXHKFXLFDALO-NSHDSACASA-N 1 0 209.289 1.126 10 0 BDAERO C[NH2+]C[C@@H](c1cccc(OC)c1OC)N(C)C ZINC000019862158 173366610 /nfs/dbraw/zinc/36/66/10/173366610.db2.gz SHNJFINXJYQPFU-NSHDSACASA-N 1 0 238.331 1.526 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2cccc(F)c2)C1 ZINC000011892367 173370839 /nfs/dbraw/zinc/37/08/39/173370839.db2.gz YQPIITXCFFOMQU-JTQLQIEISA-N 1 0 208.280 1.871 10 0 BDAERO C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1O ZINC000095075957 173371426 /nfs/dbraw/zinc/37/14/26/173371426.db2.gz TVCKUIRPRSAEMK-KGLIPLIRSA-N 1 0 234.343 1.089 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2ccc(F)cc2)C(=O)O1 ZINC000077336762 173372091 /nfs/dbraw/zinc/37/20/91/173372091.db2.gz FOOVECUOUIHCEI-SNVBAGLBSA-N 1 0 224.235 1.370 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1cc(Cl)ccc1F ZINC000082536351 173372265 /nfs/dbraw/zinc/37/22/65/173372265.db2.gz VGOXXJBENKAPPA-SNVBAGLBSA-N 1 0 217.671 1.906 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1c(C)cc(C)cc1OC ZINC000082539619 173372792 /nfs/dbraw/zinc/37/27/92/173372792.db2.gz AXSJZLFCVCXYMR-CYBMUJFWSA-N 1 0 223.316 1.739 10 0 BDAERO C[NH2+]C[C@@]1(O)CCCCc2ccccc21 ZINC000055027357 173373015 /nfs/dbraw/zinc/37/30/15/173373015.db2.gz OVTOMTJZYGVMDS-ZDUSSCGKSA-N 1 0 205.301 1.820 10 0 BDAERO C[NH2+]C[C@H](O)CSc1nc2ccccc2o1 ZINC000019865330 173376521 /nfs/dbraw/zinc/37/65/21/173376521.db2.gz ULOLKLIYNUIAEX-QMMMGPOBSA-N 1 0 238.312 1.500 10 0 BDAERO C[NH2+]C[C@H](O)CSc1ccc(OC)c(C)c1 ZINC000019686925 173376995 /nfs/dbraw/zinc/37/69/95/173376995.db2.gz PHBZRZKBPLBERQ-JTQLQIEISA-N 1 0 241.356 1.676 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000037871869 173377098 /nfs/dbraw/zinc/37/70/98/173377098.db2.gz HPTXDYIJYYQALV-VIFPVBQESA-N 1 0 219.206 1.958 10 0 BDAERO C[NH2+]C[C@H](Sc1nncn1C)c1ccccc1 ZINC000053609727 173377866 /nfs/dbraw/zinc/37/78/66/173377866.db2.gz WOABXXHFXPXHPS-NSHDSACASA-N 1 0 248.355 1.868 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2cccc(COC)c2)C1 ZINC000053032063 173382265 /nfs/dbraw/zinc/38/22/65/173382265.db2.gz XBWIROJEIKUUHE-CYBMUJFWSA-N 1 0 234.343 1.879 10 0 BDAERO C[NH2+]C[C@H]1CC[C@@H](Cn2nc(C)cc2C)O1 ZINC000052575908 173382467 /nfs/dbraw/zinc/38/24/67/173382467.db2.gz ZOYDLYINZWJCTM-NEPJUHHUSA-N 1 0 223.320 1.267 10 0 BDAERO C[NH2+]C[C@H]1CN(Cc2cccc(C)c2)CCO1 ZINC000071544591 173382821 /nfs/dbraw/zinc/38/28/21/173382821.db2.gz RRESWEGVSGXFPS-AWEZNQCLSA-N 1 0 234.343 1.415 10 0 BDAERO C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)C(=O)O1 ZINC000077386752 173382955 /nfs/dbraw/zinc/38/29/55/173382955.db2.gz LWZQKMGMBKGATB-JTQLQIEISA-N 1 0 240.690 1.885 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N(C)[C@H](C)C1CC1 ZINC000036786093 173383785 /nfs/dbraw/zinc/38/37/85/173383785.db2.gz DGGAHIAVSFYENO-SNVBAGLBSA-N 1 0 236.363 1.683 10 0 BDAERO C[NH2+]C[C@]1(Cc2cscn2)CCOC1 ZINC000054664020 173384261 /nfs/dbraw/zinc/38/42/61/173384261.db2.gz UFYGEOSJBNKSDS-SNVBAGLBSA-N 1 0 212.318 1.312 10 0 BDAERO C[NH2+]Cc1cc(N2CCC[C@H]2C)ccn1 ZINC000051398838 173387612 /nfs/dbraw/zinc/38/76/12/173387612.db2.gz QHEOUHAMMRIHFE-SNVBAGLBSA-N 1 0 205.305 1.790 10 0 BDAERO C[NH2+]Cc1cccc(OCCC(=O)N(C)C)c1 ZINC000037897628 173389621 /nfs/dbraw/zinc/38/96/21/173389621.db2.gz BYCFFHZTTPAFFQ-UHFFFAOYSA-N 1 0 236.315 1.263 10 0 BDAERO CNC(=O)[C@H]1CCCN1c1ccccc1C[NH2+]C ZINC000042395707 173390128 /nfs/dbraw/zinc/39/01/28/173390128.db2.gz UMMUIMBREXUBHA-CYBMUJFWSA-N 1 0 247.342 1.121 10 0 BDAERO C[NH2+]Cc1cccnc1-n1ccc(C)n1 ZINC000052885112 173390438 /nfs/dbraw/zinc/39/04/38/173390438.db2.gz LGFFGXDPMHQHPY-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1ccnc(-n2nc(C)cc2C)c1 ZINC000051490598 173390998 /nfs/dbraw/zinc/39/09/98/173390998.db2.gz HZRSOGZXEBGCHA-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1cccnc1N1CCC[C@H]1C ZINC000051398758 173391189 /nfs/dbraw/zinc/39/11/89/173391189.db2.gz JLOADSSOGCHIAJ-SNVBAGLBSA-N 1 0 205.305 1.790 10 0 BDAERO C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000011920348 173391338 /nfs/dbraw/zinc/39/13/38/173391338.db2.gz CPHYGDJNMPOWOU-UHFFFAOYSA-N 1 0 219.263 1.946 10 0 BDAERO C[NH2+]Cc1ccnc(-c2ccc(OC)cc2)n1 ZINC000045206121 173391601 /nfs/dbraw/zinc/39/16/01/173391601.db2.gz SPVKVKKPSHPLQZ-UHFFFAOYSA-N 1 0 229.283 1.872 10 0 BDAERO C[NH2+]Cc1ccnc(-c2ncccc2C)n1 ZINC000054791149 173391697 /nfs/dbraw/zinc/39/16/97/173391697.db2.gz IKABSQPDKKRIBC-UHFFFAOYSA-N 1 0 214.272 1.566 10 0 BDAERO C[NH2+]Cc1cnn(Cc2cc(F)ccc2F)c1 ZINC000054719225 173392852 /nfs/dbraw/zinc/39/28/52/173392852.db2.gz KQRJUXVHNHCZAI-UHFFFAOYSA-N 1 0 237.253 1.929 10 0 BDAERO C[NH2+]Cc1coc(CN2CCO[C@H](C)C2)c1 ZINC000052382576 173393095 /nfs/dbraw/zinc/39/30/95/173393095.db2.gz OFQKKWDXTIBBQK-SNVBAGLBSA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+]Cc1coc(Cn2nc(C)nc2C)c1 ZINC000052574433 173393251 /nfs/dbraw/zinc/39/32/51/173393251.db2.gz QDZAKXDNNDPQIB-UHFFFAOYSA-N 1 0 220.276 1.256 10 0 BDAERO C[NH2+]Cc1cnn([C@H]2CCCCC[C@H]2O)c1C ZINC000054600494 173393580 /nfs/dbraw/zinc/39/35/80/173393580.db2.gz IYVPWTSYXHYPGF-QWHCGFSZSA-N 1 0 237.347 1.777 10 0 BDAERO C[NH2+]Cc1cnn([C@H]2CCCCC[C@H]2O)c1 ZINC000054600466 173394084 /nfs/dbraw/zinc/39/40/84/173394084.db2.gz QZZVZZVVJMMBLH-NWDGAFQWSA-N 1 0 223.320 1.469 10 0 BDAERO C[NH2+]Cc1nc(CN2CCSCC2)cs1 ZINC000052425424 173395324 /nfs/dbraw/zinc/39/53/24/173395324.db2.gz RZNWFWMFWSGHDQ-UHFFFAOYSA-N 1 0 243.401 1.411 10 0 BDAERO C[NH2+]Cc1nccn1Cc1ccc(F)cc1 ZINC000051004645 173397134 /nfs/dbraw/zinc/39/71/34/173397134.db2.gz ZRPHHKYJNKPXFV-UHFFFAOYSA-N 1 0 219.263 1.790 10 0 BDAERO C[NH2+]Cc1nccn1Cc1cccc(F)c1 ZINC000051004431 173397480 /nfs/dbraw/zinc/39/74/80/173397480.db2.gz CDFLWXYNQXLGFD-UHFFFAOYSA-N 1 0 219.263 1.790 10 0 BDAERO C[NH2+]Cc1nnc(-c2cccc(OC)c2)o1 ZINC000050615486 173397879 /nfs/dbraw/zinc/39/78/79/173397879.db2.gz SIEFCWOZMOCZOF-UHFFFAOYSA-N 1 0 219.244 1.465 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc(C)cc1Cl ZINC000054744330 173398315 /nfs/dbraw/zinc/39/83/15/173398315.db2.gz AEBOTANTPBUYOQ-UHFFFAOYSA-N 1 0 237.694 1.344 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H](C)c1ccccc1 ZINC000054745636 173398682 /nfs/dbraw/zinc/39/86/82/173398682.db2.gz MAIBXCVCBICWMQ-VIFPVBQESA-N 1 0 217.276 1.002 10 0 BDAERO C[NH2+]Cc1nnnn1-c1cccc(Cl)c1C ZINC000054744823 173398809 /nfs/dbraw/zinc/39/88/09/173398809.db2.gz UDLWVETUQICXJA-UHFFFAOYSA-N 1 0 237.694 1.344 10 0 BDAERO C[NH2+][C@@H](C)c1nncn1-c1ccccc1 ZINC000054526694 173421307 /nfs/dbraw/zinc/42/13/07/173421307.db2.gz YWBXUXBNEJUPIG-VIFPVBQESA-N 1 0 202.261 1.548 10 0 BDAERO C[NH2+][C@@H](CC1CCOCC1)c1ncccn1 ZINC000053829028 173422242 /nfs/dbraw/zinc/42/22/42/173422242.db2.gz RNZHLJQKSOMQLV-NSHDSACASA-N 1 0 221.304 1.554 10 0 BDAERO C[NH2+][C@@H]1CCN(c2cc(C)ccc2OC)C1 ZINC000037240773 173436324 /nfs/dbraw/zinc/43/63/24/173436324.db2.gz NBJPLUWLXCYPIL-LLVKDONJSA-N 1 0 220.316 1.802 10 0 BDAERO C[NH2+][C@@H]1CCN(c2cc(C)ccc2F)C1 ZINC000037242239 173436981 /nfs/dbraw/zinc/43/69/81/173436981.db2.gz RVDYLSVVDAFWTB-SNVBAGLBSA-N 1 0 208.280 1.932 10 0 BDAERO C[NH2+][C@H](CO)c1ccc(Br)cc1F ZINC000038121372 173453093 /nfs/dbraw/zinc/45/30/93/173453093.db2.gz QXRODJWQVUAHPD-SECBINFHSA-N 1 0 248.095 1.841 10 0 BDAERO C[NH2+][C@@H](Cc1ncc[nH]1)Cc1ccc(F)cc1 ZINC000035504039 173454091 /nfs/dbraw/zinc/45/40/91/173454091.db2.gz CVPCLIFCLBJVMR-GFCCVEGCSA-N 1 0 233.290 1.922 10 0 BDAERO C[NH2+][C@H](Cc1cccnc1)c1cccnc1 ZINC000053131378 173454222 /nfs/dbraw/zinc/45/42/22/173454222.db2.gz FWLIDEWKFXYDCL-CYBMUJFWSA-N 1 0 213.284 1.980 10 0 BDAERO C[NH2+][C@H](c1ccncc1)c1cncc(F)c1 ZINC000049576300 173458713 /nfs/dbraw/zinc/45/87/13/173458713.db2.gz BLLAMPRDUXDKFI-GFCCVEGCSA-N 1 0 217.247 1.925 10 0 BDAERO C[NH2+][C@H]1CCN(c2cc(Cl)ccc2C)C1=O ZINC000049648301 173465868 /nfs/dbraw/zinc/46/58/68/173465868.db2.gz JVFUYSCLOXBNQW-JTQLQIEISA-N 1 0 238.718 1.973 10 0 BDAERO CNc1ccc(C[N@@H+]2CC[C@H](C)C2)cn1 ZINC000050814674 173478766 /nfs/dbraw/zinc/47/87/66/173478766.db2.gz WURMDJWNNRTYMM-JTQLQIEISA-N 1 0 205.305 1.965 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1c(F)cccc1F ZINC000020577600 173625210 /nfs/dbraw/zinc/62/52/10/173625210.db2.gz HWOGPYPRYHCSRK-MRVPVSSYSA-N 1 0 215.199 1.528 10 0 BDAERO COC(=O)[C@@]1(N2CC[NH2+]CC2)CCCC[C@@H]1C ZINC000037963640 173759245 /nfs/dbraw/zinc/75/92/45/173759245.db2.gz MAWSFEDRSMRKKL-WCQYABFASA-N 1 0 240.347 1.014 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000002546127 173823367 /nfs/dbraw/zinc/82/33/67/173823367.db2.gz YZBHPTZUARKXKZ-RYUDHWBXSA-N 1 0 235.283 1.171 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@@H](C)C(C)C)[nH]1 ZINC000086329614 173877242 /nfs/dbraw/zinc/87/72/42/173877242.db2.gz SZYIHAQVIJIBOK-VIFPVBQESA-N 1 0 224.304 1.935 10 0 BDAERO COC(=O)c1ccc(NC[C@H]2CCC[NH2+]C2)cc1 ZINC000041301127 173884682 /nfs/dbraw/zinc/88/46/82/173884682.db2.gz FBAJDNLDSIOXQM-NSHDSACASA-N 1 0 248.326 1.885 10 0 BDAERO COC(=O)c1ccccc1NC[C@H]1CCC[NH2+]C1 ZINC000041301119 173899681 /nfs/dbraw/zinc/89/96/81/173899681.db2.gz WUJGQYYWZIVFPU-NSHDSACASA-N 1 0 248.326 1.885 10 0 BDAERO COC1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000037266523 174028469 /nfs/dbraw/zinc/02/84/69/174028469.db2.gz JPAPNNIXAGNPKC-LLVKDONJSA-N 1 0 212.337 1.239 10 0 BDAERO COC1CC[NH+]([C@H]2CCCCC[C@H]2N)CC1 ZINC000037266040 174030481 /nfs/dbraw/zinc/03/04/81/174030481.db2.gz BDNAGMXYPLXNQP-OLZOCXBDSA-N 1 0 226.364 1.757 10 0 BDAERO COC1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000052455295 174031035 /nfs/dbraw/zinc/03/10/35/174031035.db2.gz IICRTWFZVSNZMJ-UHFFFAOYSA-N 1 0 241.360 1.213 10 0 BDAERO COCCCCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113518244 174179628 /nfs/dbraw/zinc/17/96/28/174179628.db2.gz YJAXYFYGCSDZHF-ZIAGYGMSSA-N 1 0 240.391 1.972 10 0 BDAERO COCCCCNC(=O)[C@@H]1CCC[C@@H](C)[C@H]1[NH3+] ZINC000055138293 174197617 /nfs/dbraw/zinc/19/76/17/174197617.db2.gz PPUYMZVGUKPRQJ-IJLUTSLNSA-N 1 0 242.363 1.293 10 0 BDAERO COCCCC[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000096033772 174199976 /nfs/dbraw/zinc/19/99/76/174199976.db2.gz RUNUJPXLOOVJIT-GHMZBOCLSA-N 1 0 215.337 1.959 10 0 BDAERO COCCCN(CCOC)C[C@@](C)([NH3+])C1CC1 ZINC000042425446 174224265 /nfs/dbraw/zinc/22/42/65/174224265.db2.gz HJHJIJWMWMIZES-CYBMUJFWSA-N 1 0 244.379 1.099 10 0 BDAERO COCCCN(CCOC)C[C@](C)([NH3+])C1CC1 ZINC000042425447 174224935 /nfs/dbraw/zinc/22/49/35/174224935.db2.gz HJHJIJWMWMIZES-ZDUSSCGKSA-N 1 0 244.379 1.099 10 0 BDAERO COCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483462 174227614 /nfs/dbraw/zinc/22/76/14/174227614.db2.gz DUEOWILGKLAEQW-GFCCVEGCSA-N 1 0 223.320 1.973 10 0 BDAERO COCCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000082699258 174234595 /nfs/dbraw/zinc/23/45/95/174234595.db2.gz QRMPFMKVWULYTB-VXGBXAGGSA-N 1 0 212.337 1.191 10 0 BDAERO COCCC[N@@H+]1C[C@H](C(C)C)NC[C@H]1C(C)C ZINC000083370844 174235719 /nfs/dbraw/zinc/23/57/19/174235719.db2.gz VFCCLSQSLVLBHK-KGLIPLIRSA-N 1 0 242.407 1.977 10 0 BDAERO COCCCNC(=O)C[NH2+][C@H](C)CCC(C)C ZINC000070185325 174237571 /nfs/dbraw/zinc/23/75/71/174237571.db2.gz MMKBPHOPJFIPLF-GFCCVEGCSA-N 1 0 244.379 1.553 10 0 BDAERO COCCCNC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339516415 174243373 /nfs/dbraw/zinc/24/33/73/174243373.db2.gz OWPYWXLWPZFRJE-LLVKDONJSA-N 1 0 242.363 1.306 10 0 BDAERO COCCC[NH2+]CCN(C)C[C@H]1CCCCO1 ZINC000053391670 174247633 /nfs/dbraw/zinc/24/76/33/174247633.db2.gz HAKNVVSJUNYCIT-CYBMUJFWSA-N 1 0 244.379 1.113 10 0 BDAERO COCCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C ZINC000308555499 174263790 /nfs/dbraw/zinc/26/37/90/174263790.db2.gz ZDBZYUZSUCGMID-GARJFASQSA-N 1 0 201.310 1.569 10 0 BDAERO COCCCn1c(CC[NH3+])nc2ccccc21 ZINC000040163794 174266638 /nfs/dbraw/zinc/26/66/38/174266638.db2.gz HORSMONYNGBOCJ-UHFFFAOYSA-N 1 0 233.315 1.574 10 0 BDAERO COCCN(C(=O)[C@H]1CCC[NH2+]1)[C@@H](C)C1CC1 ZINC000037814687 174269661 /nfs/dbraw/zinc/26/96/61/174269661.db2.gz AFNJJPPCUBRVEK-CMPLNLGQSA-N 1 0 240.347 1.012 10 0 BDAERO COCCN(C)C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055163163 174272138 /nfs/dbraw/zinc/27/21/38/174272138.db2.gz WILBBRLHYISJRI-NWDGAFQWSA-N 1 0 242.363 1.246 10 0 BDAERO COCCN(C)[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042966999 174283877 /nfs/dbraw/zinc/28/38/77/174283877.db2.gz GSCQXZZOGRFDJA-JSGCOSHPSA-N 1 0 236.359 1.962 10 0 BDAERO COCCN([C@@H](C[NH3+])c1cccnc1)C1CC1 ZINC000042517945 174285640 /nfs/dbraw/zinc/28/56/40/174285640.db2.gz LHDUXADKDDOCEZ-ZDUSSCGKSA-N 1 0 235.331 1.192 10 0 BDAERO COCCN(CC1([NH3+])CCCC1)[C@H](C)COC ZINC000042610821 174288846 /nfs/dbraw/zinc/28/88/46/174288846.db2.gz NSVDGXOTLWONSU-GFCCVEGCSA-N 1 0 244.379 1.241 10 0 BDAERO COCC[N@@H+](Cc1ccc(C)s1)C[C@@H](C)O ZINC000036101045 174299937 /nfs/dbraw/zinc/29/99/37/174299937.db2.gz FSMWZWXOGOFBPA-SNVBAGLBSA-N 1 0 243.372 1.886 10 0 BDAERO COCC[N@H+](Cc1cccnc1N)[C@@H](C)C1CC1 ZINC000052728502 174301224 /nfs/dbraw/zinc/30/12/24/174301224.db2.gz ZYJVFBNDPACOPT-NSHDSACASA-N 1 0 249.358 1.911 10 0 BDAERO COCC[N@@H+]1CC(C)(C)NC[C@H]1C(C)C ZINC000062571795 174303734 /nfs/dbraw/zinc/30/37/34/174303734.db2.gz OYOMWVWFCRZNNR-NSHDSACASA-N 1 0 214.353 1.341 10 0 BDAERO COCC[N@@H+]1CCN(Cc2ccncc2)C[C@H]1C ZINC000130386577 174309426 /nfs/dbraw/zinc/30/94/26/174309426.db2.gz JQDYWGRUOCNAIX-CYBMUJFWSA-N 1 0 249.358 1.234 10 0 BDAERO COCCNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042860859 174321552 /nfs/dbraw/zinc/32/15/52/174321552.db2.gz LRESSOVHTBXYJZ-NWDGAFQWSA-N 1 0 242.363 1.165 10 0 BDAERO COCCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037255312 174326806 /nfs/dbraw/zinc/32/68/06/174326806.db2.gz VAAOKLPLWRMNRV-SDDRHHMPSA-N 1 0 242.363 1.306 10 0 BDAERO COCC[NH2+]CC(=O)c1ccc(C)cc1C ZINC000041612607 174332473 /nfs/dbraw/zinc/33/24/73/174332473.db2.gz JJERCIDWUYDBNM-UHFFFAOYSA-N 1 0 221.300 1.722 10 0 BDAERO COCC[NH2+]Cc1ccc(-n2cccn2)c(C)c1 ZINC000062738494 174335559 /nfs/dbraw/zinc/33/55/59/174335559.db2.gz UQBSUZDEWWNEON-UHFFFAOYSA-N 1 0 245.326 1.917 10 0 BDAERO COCC[NH2+]Cc1sc(OC)nc1C ZINC000045205497 174336573 /nfs/dbraw/zinc/33/65/73/174336573.db2.gz IEQAAOYOLUOZKF-UHFFFAOYSA-N 1 0 216.306 1.196 10 0 BDAERO COCCO[C@@H](C)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000019398008 174365341 /nfs/dbraw/zinc/36/53/41/174365341.db2.gz RUHFEDZNPHWPDY-GXFFZTMASA-N 1 0 239.315 1.747 10 0 BDAERO COCCO[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000020262753 174366687 /nfs/dbraw/zinc/36/66/87/174366687.db2.gz OQDPPJCZIMDAOT-STQMWFEESA-N 1 0 221.300 1.664 10 0 BDAERO COCCO[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000019386718 174367085 /nfs/dbraw/zinc/36/70/85/174367085.db2.gz LWYFNYKOFJBZHD-NWDGAFQWSA-N 1 0 207.273 1.274 10 0 BDAERO COCC[C@@H](C)Nc1ccc(N(C)C)cn1 ZINC000134311546 174386077 /nfs/dbraw/zinc/38/60/77/174386077.db2.gz LBZLQFPSQHDRNS-SNVBAGLBSA-N 1 0 223.320 1.985 10 0 BDAERO COC[C@@H]([NH3+])Cc1ccc(Cl)s1 ZINC000060697076 174478323 /nfs/dbraw/zinc/47/83/23/174478323.db2.gz MGTFVTZFFSRRCP-LURJTMIESA-N 1 0 205.710 1.918 10 0 BDAERO COC[C@@H]([NH3+])CN(C)c1ccc2ccccc2n1 ZINC000104305340 174478917 /nfs/dbraw/zinc/47/89/17/174478917.db2.gz SKRIWPBRROFVLH-LBPRGKRZSA-N 1 0 245.326 1.645 10 0 BDAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000227295511 174572977 /nfs/dbraw/zinc/57/29/77/174572977.db2.gz WFNKKSNTPUWFSH-SDDRHHMPSA-N 1 0 240.347 1.141 10 0 BDAERO CO[C@@H](C(=O)N[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000063172096 174674756 /nfs/dbraw/zinc/67/47/56/174674756.db2.gz XZMLVVMKBKPSCG-RWMBFGLXSA-N 1 0 248.326 1.370 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCCO)C12CCC2 ZINC000373350710 174781440 /nfs/dbraw/zinc/78/14/40/174781440.db2.gz PAVWRXRBLZARPI-QJPTWQEYSA-N 1 0 227.348 1.552 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCCO)C1(C)C ZINC000336752869 174782872 /nfs/dbraw/zinc/78/28/72/174782872.db2.gz GQJXPRTUCHMGSH-GARJFASQSA-N 1 0 215.337 1.408 10 0 BDAERO COc1c(C)cc(C)cc1CC[NH2+]C[C@@H](C)O ZINC000098126327 174921184 /nfs/dbraw/zinc/92/11/84/174921184.db2.gz BVRSHXQUNZGWHY-GFCCVEGCSA-N 1 0 237.343 1.825 10 0 BDAERO COc1cc(C)c(C[NH2+]CCN(C)C)cc1C ZINC000057528062 174957810 /nfs/dbraw/zinc/95/78/10/174957810.db2.gz XAUGSWIFUJIGKU-UHFFFAOYSA-N 1 0 236.359 1.963 10 0 BDAERO COc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H]1[NH3+] ZINC000043565811 174990674 /nfs/dbraw/zinc/99/06/74/174990674.db2.gz HNJNMPLICZGDGI-IUCAKERBSA-N 1 0 240.690 1.178 10 0 BDAERO COc1cc(OC)c(C(=O)CC[NH3+])cc1OC ZINC000096889493 175006069 /nfs/dbraw/zinc/00/60/69/175006069.db2.gz JUVCUHDLNXCKGQ-UHFFFAOYSA-N 1 0 239.271 1.244 10 0 BDAERO COc1cc(OC)c(OC)cc1NCC[NH3+] ZINC000096890058 175006940 /nfs/dbraw/zinc/00/69/40/175006940.db2.gz KEHQBCXHHPROQH-UHFFFAOYSA-N 1 0 226.276 1.083 10 0 BDAERO COc1cc(OC)c(OC)c2c1CC[C@H]2[NH3+] ZINC000019727496 175007223 /nfs/dbraw/zinc/00/72/23/175007223.db2.gz JNMJLIDCOKUSEE-MRVPVSSYSA-N 1 0 223.272 1.658 10 0 BDAERO COc1cc(OC)c(C[C@@H](C)[NH3+])cc1C ZINC000006069832 175007385 /nfs/dbraw/zinc/00/73/85/175007385.db2.gz NOEGLABJKXQKEG-SECBINFHSA-N 1 0 209.289 1.902 10 0 BDAERO COc1cc(OC)cc([C@@H](C[NH3+])NC2CC2)c1 ZINC000050271279 175011404 /nfs/dbraw/zinc/01/14/04/175011404.db2.gz MYGWCJWIESJCLZ-CYBMUJFWSA-N 1 0 236.315 1.456 10 0 BDAERO COc1cc([C@@H](C)[NH3+])ccc1OCC(C)(C)O ZINC000037698356 175012886 /nfs/dbraw/zinc/01/28/86/175012886.db2.gz BLKBLUUTYUJTKU-SECBINFHSA-N 1 0 239.315 1.865 10 0 BDAERO COc1cc([C@H](O)[C@@H]([NH3+])CC(C)C)ccc1O ZINC000054929253 175016683 /nfs/dbraw/zinc/01/66/83/175016683.db2.gz LUFLQHTZECZNSE-GWCFXTLKSA-N 1 0 239.315 1.808 10 0 BDAERO COc1cc2c(cc1OC)CC(=[NH2+])NC=C2 ZINC000005115744 175024852 /nfs/dbraw/zinc/02/48/52/175024852.db2.gz WADYQLCXAVXCQZ-UHFFFAOYSA-N 1 0 218.256 1.588 10 0 BDAERO COc1cc2ccc(C[NH3+])nc2cc1OC ZINC000062608516 175027515 /nfs/dbraw/zinc/02/75/15/175027515.db2.gz ZQDJGJQDARVSIK-UHFFFAOYSA-N 1 0 218.256 1.711 10 0 BDAERO COc1ccc(-c2c[nH]c(C[NH3+])n2)cc1OC ZINC000036870982 175030197 /nfs/dbraw/zinc/03/01/97/175030197.db2.gz LZBTZWRPXGJGDL-UHFFFAOYSA-N 1 0 233.271 1.553 10 0 BDAERO COc1ccc(-c2cn3c(n2)CC[C@@H]([NH3+])C3)cc1 ZINC000079776647 175035891 /nfs/dbraw/zinc/03/58/91/175035891.db2.gz WOZVMKDJPAJNQV-LLVKDONJSA-N 1 0 243.310 1.832 10 0 BDAERO COc1ccc(-c2nc(CCC[NH3+])no2)cc1 ZINC000019682269 175039880 /nfs/dbraw/zinc/03/98/80/175039880.db2.gz SMOFMFOZUQRMLM-UHFFFAOYSA-N 1 0 233.271 1.637 10 0 BDAERO COc1ccc(-c2ncc(C[NH3+])cn2)cc1OC ZINC000054855278 175040441 /nfs/dbraw/zinc/04/04/41/175040441.db2.gz VJUBCSVYDKFGQW-UHFFFAOYSA-N 1 0 245.282 1.620 10 0 BDAERO COc1ccc(-n2nc(C)cc2C)c(C[NH3+])c1 ZINC000090608811 175044842 /nfs/dbraw/zinc/04/48/42/175044842.db2.gz BEILGLBQBVDZNB-UHFFFAOYSA-N 1 0 231.299 1.956 10 0 BDAERO COc1ccc(-n2nnc([C@H](C)[NH3+])c2C)cc1C ZINC000049531936 175045825 /nfs/dbraw/zinc/04/58/25/175045825.db2.gz DHEQKOMZJXQDGG-VIFPVBQESA-N 1 0 246.314 1.912 10 0 BDAERO COc1ccc(C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000011630741 175065189 /nfs/dbraw/zinc/06/51/89/175065189.db2.gz IVFUXVDIJXFSJM-LLVKDONJSA-N 1 0 219.284 1.878 10 0 BDAERO COc1ccc(C(C)=O)cc1CN1CC[NH2+]CC1 ZINC000037389286 175068319 /nfs/dbraw/zinc/06/83/19/175068319.db2.gz HBKNFKFPXBSIPN-UHFFFAOYSA-N 1 0 248.326 1.303 10 0 BDAERO COc1ccc(C)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000052943827 175072826 /nfs/dbraw/zinc/07/28/26/175072826.db2.gz FJHLQFHSHRSJNC-NSHDSACASA-N 1 0 248.326 1.567 10 0 BDAERO COc1ccc(C)cc1C(=O)NC[C@@H](C)C[NH3+] ZINC000054140194 175072862 /nfs/dbraw/zinc/07/28/62/175072862.db2.gz AEQGQFTZDUHVNT-JTQLQIEISA-N 1 0 236.315 1.328 10 0 BDAERO COc1ccc(CC[NH2+][C@@H](C)CO)cc1F ZINC000098125067 175091333 /nfs/dbraw/zinc/09/13/33/175091333.db2.gz XOUAAHMNEHVZQQ-VIFPVBQESA-N 1 0 227.279 1.347 10 0 BDAERO COc1ccc(CC[C@@H](O)[C@@H]2CCC[NH2+]2)cc1 ZINC000071546212 175092602 /nfs/dbraw/zinc/09/26/02/175092602.db2.gz WKLFAGZVIOSZSZ-UONOGXRCSA-N 1 0 235.327 1.741 10 0 BDAERO COc1ccc(CC[C@H](O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000071570608 175093590 /nfs/dbraw/zinc/09/35/90/175093590.db2.gz YHICMLDLEZQIJT-HIFRSBDPSA-N 1 0 249.354 1.988 10 0 BDAERO COc1ccc(C[N@H+](CCO)C(C)C)cc1N ZINC000042478163 175097668 /nfs/dbraw/zinc/09/76/68/175097668.db2.gz KHDISWOSIRDYCH-UHFFFAOYSA-N 1 0 238.331 1.480 10 0 BDAERO COc1ccc(C[NH2+]CCN(C)C)cc1F ZINC000034938238 175106616 /nfs/dbraw/zinc/10/66/16/175106616.db2.gz QYWAMTIKXOVQGL-UHFFFAOYSA-N 1 0 226.295 1.486 10 0 BDAERO COc1ccc(COC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000104222030 175113626 /nfs/dbraw/zinc/11/36/26/175113626.db2.gz VGTNJEFGZREDNQ-ZWNOBZJWSA-N 1 0 249.310 1.594 10 0 BDAERO COc1ccc(CO[C@@H]2CC[NH2+]C2)cc1F ZINC000051782341 175114201 /nfs/dbraw/zinc/11/42/01/175114201.db2.gz WFURXUUARBMARM-SNVBAGLBSA-N 1 0 225.263 1.713 10 0 BDAERO COc1ccc(C[C@@H]([NH3+])CN(C)C)c(OC)c1 ZINC000071548925 175115466 /nfs/dbraw/zinc/11/54/66/175115466.db2.gz QSJPUSVWNOEMNK-LLVKDONJSA-N 1 0 238.331 1.135 10 0 BDAERO COc1ccc(C[C@@H](O)[C@H]2CCC[NH2+]2)cc1F ZINC000041281784 175116220 /nfs/dbraw/zinc/11/62/20/175116220.db2.gz YLYHLDISLFBPOU-VXGBXAGGSA-N 1 0 239.290 1.490 10 0 BDAERO COc1ccc(C[C@@](C)(C[NH3+])CO)cc1OC ZINC000011978925 175116465 /nfs/dbraw/zinc/11/64/65/175116465.db2.gz CZSHFLJAGFHGFX-ZDUSSCGKSA-N 1 0 239.315 1.204 10 0 BDAERO COc1ccc(C[C@]2(O)CCC[NH2+]C2)cc1F ZINC000071549303 175117925 /nfs/dbraw/zinc/11/79/25/175117925.db2.gz UYNPWZRRJHJEAG-CYBMUJFWSA-N 1 0 239.290 1.491 10 0 BDAERO COc1ccc(C[C@]2(C)OC[C@H](C[NH3+])O2)cc1 ZINC000019729891 175118020 /nfs/dbraw/zinc/11/80/20/175118020.db2.gz HFXKDBIFKGVOEM-QWHCGFSZSA-N 1 0 237.299 1.328 10 0 BDAERO COc1ccc(F)cc1CN1CC[NH2+][C@H](C)C1 ZINC000071548838 175129223 /nfs/dbraw/zinc/12/92/23/175129223.db2.gz RXMNOZXQIOZBKV-SNVBAGLBSA-N 1 0 238.306 1.628 10 0 BDAERO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1N ZINC000037758694 175145130 /nfs/dbraw/zinc/14/51/30/175145130.db2.gz WXPCACWKZTVFTM-SECBINFHSA-N 1 0 249.314 1.168 10 0 BDAERO COc1ccc(NC(=S)C[NH+](C)C)cc1 ZINC000033373254 175148181 /nfs/dbraw/zinc/14/81/81/175148181.db2.gz BNLZSMHXJAVAQB-UHFFFAOYSA-N 1 0 224.329 1.996 10 0 BDAERO COc1ccc(NC[C@@H](O)C[NH+](C)C)c(C)c1 ZINC000061567408 175151313 /nfs/dbraw/zinc/15/13/13/175151313.db2.gz SXOFZXXRCQTNAT-LLVKDONJSA-N 1 0 238.331 1.338 10 0 BDAERO COc1ccc(OC)c(C(=O)C(C)(C)[NH3+])c1 ZINC000058327438 175164539 /nfs/dbraw/zinc/16/45/39/175164539.db2.gz FPLXZCSQDUGMKJ-UHFFFAOYSA-N 1 0 223.272 1.624 10 0 BDAERO COc1ccc(OC)c(C[C@H]([NH3+])CN(C)C)c1 ZINC000071548924 175166164 /nfs/dbraw/zinc/16/61/64/175166164.db2.gz SQTVLGCQOFCVAM-NSHDSACASA-N 1 0 238.331 1.135 10 0 BDAERO COc1ccc(OC)c([C@@H](CC[NH3+])OC)c1 ZINC000049820071 175166751 /nfs/dbraw/zinc/16/67/51/175166751.db2.gz IKRNNYZDTQUNKE-GFCCVEGCSA-N 1 0 225.288 1.740 10 0 BDAERO COc1ccc(OC)c([C@@H](O)[C@@H]([NH3+])C(C)C)c1 ZINC000033468691 175168132 /nfs/dbraw/zinc/16/81/32/175168132.db2.gz QNBNVGWNAVHOJG-QWHCGFSZSA-N 1 0 239.315 1.721 10 0 BDAERO COc1ccc([C@@H](CO)[NH2+]C2CC2)cc1F ZINC000071532078 175179687 /nfs/dbraw/zinc/17/96/87/175179687.db2.gz FUFBHSQDBGCPJL-LLVKDONJSA-N 1 0 225.263 1.620 10 0 BDAERO COc1ccc([C@@H](N)C[NH3+])c(Cl)c1 ZINC000072200574 175179762 /nfs/dbraw/zinc/17/97/62/175179762.db2.gz RJWVZCSZSHXQQG-VIFPVBQESA-N 1 0 200.669 1.307 10 0 BDAERO COc1ccc([C@@H]([C@H](C)[NH3+])n2ccnc2)cc1 ZINC000042962235 175182050 /nfs/dbraw/zinc/18/20/50/175182050.db2.gz NXUADRIVWJVLBY-GXFFZTMASA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CCN2)cc1F ZINC000041224819 175183590 /nfs/dbraw/zinc/18/35/90/175183590.db2.gz SMAPYTNJPCWDQP-JTQLQIEISA-N 1 0 210.252 1.068 10 0 BDAERO COc1ccc([C@@H]2C[NH2+][C@@H](C)CO2)c(OC)c1 ZINC000033466011 175184117 /nfs/dbraw/zinc/18/41/17/175184117.db2.gz WILLWMGGWYBKHU-ZANVPECISA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@@H]2C[C@@H]2[NH3+])c(OC)c1OC ZINC000037381589 175184264 /nfs/dbraw/zinc/18/42/64/175184264.db2.gz APGMXKAKJSUGRK-IUCAKERBSA-N 1 0 223.272 1.527 10 0 BDAERO COc1ccc([C@@H]2NC(=O)CC[C@@H]2[NH3+])cc1F ZINC000076684435 175185653 /nfs/dbraw/zinc/18/56/53/175185653.db2.gz ZXHLTXCQKZQFBR-CABZTGNLSA-N 1 0 238.262 1.113 10 0 BDAERO COc1ccc([C@H](C[NH3+])n2cccn2)cc1 ZINC000042962189 175190866 /nfs/dbraw/zinc/19/08/66/175190866.db2.gz GNVURQJCTZYXGJ-LBPRGKRZSA-N 1 0 217.272 1.440 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H]2COCCO2)c(C)c1 ZINC000055298922 175191648 /nfs/dbraw/zinc/19/16/48/175191648.db2.gz PCTIMDRNVSBIPQ-STQMWFEESA-N 1 0 237.299 1.419 10 0 BDAERO COc1ccc([C@H]([NH3+])Cn2ccccc2=O)cc1 ZINC000023067614 175192283 /nfs/dbraw/zinc/19/22/83/175192283.db2.gz KKJYJWWYEHMEBB-CYBMUJFWSA-N 1 0 244.294 1.557 10 0 BDAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)C(N)=O ZINC000035792981 175207545 /nfs/dbraw/zinc/20/75/45/175207545.db2.gz FQDFTRYWINZAAZ-RNCFNFMXSA-N 1 0 248.326 1.536 10 0 BDAERO COc1ccc2c(c1)CC[N@@H+](CC(N)=S)C2 ZINC000038478318 175208659 /nfs/dbraw/zinc/20/86/59/175208659.db2.gz RXGPXMQOGZZVRF-UHFFFAOYSA-N 1 0 236.340 1.339 10 0 BDAERO COc1ccc2c(c1)CCC[C@]2([NH3+])CO ZINC000038124423 175208775 /nfs/dbraw/zinc/20/87/75/175208775.db2.gz YCHWCZXSLTZNEY-LBPRGKRZSA-N 1 0 207.273 1.178 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])C[C@@H](C)S2(=O)=O ZINC000035752278 175214464 /nfs/dbraw/zinc/21/44/64/175214464.db2.gz JSCBVYJVWQPYIY-XCBNKYQSSA-N 1 0 241.312 1.261 10 0 BDAERO COc1ccc2c(c1)[C@H](N1CC[NH2+]CC1)CC2 ZINC000041259495 175215934 /nfs/dbraw/zinc/21/59/34/175215934.db2.gz QGCINJAZDGSYHN-CQSZACIVSA-N 1 0 232.327 1.588 10 0 BDAERO COc1ccc2[nH]c(SCC[NH3+])nc2c1 ZINC000019811134 175229472 /nfs/dbraw/zinc/22/94/72/175229472.db2.gz YNTVJESZQZJEHS-UHFFFAOYSA-N 1 0 223.301 1.622 10 0 BDAERO COc1cccc(-c2nc(CC[NH3+])cs2)n1 ZINC000083362387 175236182 /nfs/dbraw/zinc/23/61/82/175236182.db2.gz OJDLIYAIAOUGHV-UHFFFAOYSA-N 1 0 235.312 1.715 10 0 BDAERO COc1cccc(-c2n[nH]c(CCC[NH3+])n2)c1 ZINC000061844169 175236201 /nfs/dbraw/zinc/23/62/01/175236201.db2.gz MQLXYTAODDLVDS-UHFFFAOYSA-N 1 0 232.287 1.372 10 0 BDAERO COc1cccc(-c2nc(C)cc(CC[NH3+])n2)c1 ZINC000054833918 175236312 /nfs/dbraw/zinc/23/63/12/175236312.db2.gz JUMIUDOXUCWSEO-UHFFFAOYSA-N 1 0 243.310 1.962 10 0 BDAERO COc1cccc(C(=O)COC2CC[NH2+]CC2)c1 ZINC000077252376 175242547 /nfs/dbraw/zinc/24/25/47/175242547.db2.gz LUOBGRNORRTSQI-UHFFFAOYSA-N 1 0 249.310 1.647 10 0 BDAERO COc1cccc(C(=O)c2ccc(C[NH3+])o2)c1 ZINC000041256977 175247162 /nfs/dbraw/zinc/24/71/62/175247162.db2.gz XJJPQPYDSIQSKG-UHFFFAOYSA-N 1 0 231.251 1.978 10 0 BDAERO COc1cccc(CCc2n[nH]c(CC[NH3+])n2)c1 ZINC000077402166 175253974 /nfs/dbraw/zinc/25/39/74/175253974.db2.gz ZOKHETPQHDIQQP-UHFFFAOYSA-N 1 0 246.314 1.100 10 0 BDAERO COc1cccc(COC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000104220455 175269862 /nfs/dbraw/zinc/26/98/62/175269862.db2.gz HPYUXVYQOQXWQK-GXFFZTMASA-N 1 0 249.310 1.594 10 0 BDAERO COc1cccc(C[C@]2(C[NH3+])CCOC2)c1 ZINC000054637580 175272235 /nfs/dbraw/zinc/27/22/35/175272235.db2.gz RTIFJCUZADSWFV-ZDUSSCGKSA-N 1 0 221.300 1.603 10 0 BDAERO COc1cccc(N(C)C(=O)[C@H](C)C[NH3+])c1 ZINC000049971584 175275408 /nfs/dbraw/zinc/27/54/08/175275408.db2.gz IMOKNEQGLWAGRX-SECBINFHSA-N 1 0 222.288 1.253 10 0 BDAERO COc1cccc(OC)c1[C@@H](O)CC[NH3+] ZINC000041225472 175282847 /nfs/dbraw/zinc/28/28/47/175282847.db2.gz JLXCFDHZHLGKCB-QMMMGPOBSA-N 1 0 211.261 1.086 10 0 BDAERO COc1cccc(OC[C@@](C)(C[NH3+])N(C)C)c1 ZINC000019667443 175284462 /nfs/dbraw/zinc/28/44/62/175284462.db2.gz CJWKJSIYCHAQTD-CYBMUJFWSA-N 1 0 238.331 1.353 10 0 BDAERO COc1cccc([C@@H]([NH3+])Cn2ccnc2C)c1 ZINC000038827595 175288497 /nfs/dbraw/zinc/28/84/97/175288497.db2.gz IZCSFBBNGYJHRT-ZDUSSCGKSA-N 1 0 231.299 1.900 10 0 BDAERO COc1cccc([C@@H]([C@H](C)[NH3+])N(C)C)c1 ZINC000043025960 175289835 /nfs/dbraw/zinc/28/98/35/175289835.db2.gz GPWGPSVFBWKMIQ-JOYOIKCWSA-N 1 0 208.305 1.645 10 0 BDAERO COc1cccc([C@@H]2C[NH2+]C[C@@H](C)O2)c1 ZINC000032011708 175291213 /nfs/dbraw/zinc/29/12/13/175291213.db2.gz PFPCQMFBAXRDGB-SKDRFNHKSA-N 1 0 207.273 1.745 10 0 BDAERO COc1cccc([C@H](C[NH3+])n2cc(C)cn2)c1 ZINC000043028857 175294417 /nfs/dbraw/zinc/29/44/17/175294417.db2.gz IKVDXAUOOUMCLP-ZDUSSCGKSA-N 1 0 231.299 1.748 10 0 BDAERO COc1cccc([C@H](O)[C@H]2CCCC[NH2+]2)c1 ZINC000041237247 175295194 /nfs/dbraw/zinc/29/51/94/175295194.db2.gz KVQPHGYDDHUUHV-OLZOCXBDSA-N 1 0 221.300 1.871 10 0 BDAERO COc1cccc([C@]2(C)OC[C@@H](C[NH3+])O2)c1 ZINC000049819288 175297479 /nfs/dbraw/zinc/29/74/79/175297479.db2.gz ADNYRRMBVCZISS-VXGBXAGGSA-N 1 0 223.272 1.242 10 0 BDAERO COc1cccc2cc(C[NH2+]CC(N)=O)oc21 ZINC000035011235 175306541 /nfs/dbraw/zinc/30/65/41/175306541.db2.gz PKHAFVQGESVZSU-UHFFFAOYSA-N 1 0 234.255 1.016 10 0 BDAERO COc1ccccc1CN(C)C(C)(C)C[NH3+] ZINC000020226821 175324101 /nfs/dbraw/zinc/32/41/01/175324101.db2.gz WDLQEVMMXGRHHO-UHFFFAOYSA-N 1 0 222.332 1.864 10 0 BDAERO COc1ccccc1C[C@](O)(C[NH3+])C1CC1 ZINC000082364261 175333897 /nfs/dbraw/zinc/33/38/97/175333897.db2.gz QRFRJPNPALWCQY-ZDUSSCGKSA-N 1 0 221.300 1.338 10 0 BDAERO COc1ccccc1N1CC[NH2+]C[C@H](C)C1 ZINC000049660831 175335719 /nfs/dbraw/zinc/33/57/19/175335719.db2.gz KCVFUWSBHCQWMC-NSHDSACASA-N 1 0 220.316 1.741 10 0 BDAERO COc1ccccc1N(C)C1CC[NH2+]CC1 ZINC000049966665 175335835 /nfs/dbraw/zinc/33/58/35/175335835.db2.gz AMDQFCCBYLLWHL-UHFFFAOYSA-N 1 0 220.316 1.883 10 0 BDAERO COc1ccccc1[C@@H](C)N(C)C(=O)[C@@H](C)[NH3+] ZINC000037808304 175344702 /nfs/dbraw/zinc/34/47/02/175344702.db2.gz XSYXJHUDBKVNOD-NXEZZACHSA-N 1 0 236.315 1.562 10 0 BDAERO COc1ccccc1[C@@](C)(O)[C@H]1CCC[NH2+]C1 ZINC000071545732 175349584 /nfs/dbraw/zinc/34/95/84/175349584.db2.gz MLFVAKKWWUASBD-FZMZJTMJSA-N 1 0 235.327 1.902 10 0 BDAERO COc1ccccc1[C@@]1(C)C[C@@]1(C[NH3+])CO ZINC000070500097 175349757 /nfs/dbraw/zinc/34/97/57/175349757.db2.gz IGUGYOZOKPAQEH-CHWSQXEVSA-N 1 0 221.300 1.294 10 0 BDAERO COc1ccccc1[C@H](CC[NH3+])C(=O)NC1CC1 ZINC000076633736 175352921 /nfs/dbraw/zinc/35/29/21/175352921.db2.gz RMDSYOUKFMHZDO-LBPRGKRZSA-N 1 0 248.326 1.406 10 0 BDAERO COc1ccccc1[C@H](O)CC[NH2+]C1CC1 ZINC000049818374 175354284 /nfs/dbraw/zinc/35/42/84/175354284.db2.gz QETIHSJVCOFKDZ-GFCCVEGCSA-N 1 0 221.300 1.871 10 0 BDAERO COc1ccccc1[C@H](O)[C@H]1CCC[NH2+]C1 ZINC000032013941 175354408 /nfs/dbraw/zinc/35/44/08/175354408.db2.gz ZWAQIBCEDLEGAG-GXFFZTMASA-N 1 0 221.300 1.728 10 0 BDAERO COc1ccccc1[C@H]1C[NH2+]CCOC1 ZINC000071510364 175355314 /nfs/dbraw/zinc/35/53/14/175355314.db2.gz BMWQARGNFQJPHR-JTQLQIEISA-N 1 0 207.273 1.399 10 0 BDAERO COc1ccnc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000051883472 175367991 /nfs/dbraw/zinc/36/79/91/175367991.db2.gz VOBGMXAPOCAQDA-SECBINFHSA-N 1 0 223.276 1.006 10 0 BDAERO COc1ccnc(N[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000038051070 175368416 /nfs/dbraw/zinc/36/84/16/175368416.db2.gz UQNTWGKGUWXRLX-IUCAKERBSA-N 1 0 222.292 1.167 10 0 BDAERO COc1nc2ccccc2nc1N[C@H]1CC[NH2+]C1 ZINC000095071678 175397361 /nfs/dbraw/zinc/39/73/61/175397361.db2.gz ZPXNYGORQPUFKY-VIFPVBQESA-N 1 0 244.298 1.412 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000069668084 175656040 /nfs/dbraw/zinc/65/60/40/175656040.db2.gz YEWAGDVSQCHHIU-ONGXEEELSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H](CC[NH3+])N(C)C(=O)c1ccc2c(c1)CCO2 ZINC000063085867 175672956 /nfs/dbraw/zinc/67/29/56/175672956.db2.gz WAJLKRBFTHARHF-JTQLQIEISA-N 1 0 248.326 1.431 10 0 BDAERO C[C@@H](C[NH2+]C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951961 175730952 /nfs/dbraw/zinc/73/09/52/175730952.db2.gz HSNNTVUYFYQHES-VHSXEESVSA-N 1 0 233.377 1.445 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1ccc(F)c(Cl)c1 ZINC000082592850 175812840 /nfs/dbraw/zinc/81/28/40/175812840.db2.gz UTWMEINUCURIIB-ANLVUFKYSA-N 1 0 203.644 1.860 10 0 BDAERO C[C@@H](NC(=O)C(C)(C)C[NH3+])c1cccnc1 ZINC000044751653 175824812 /nfs/dbraw/zinc/82/48/12/175824812.db2.gz UTQANMNEGNCVEY-SECBINFHSA-N 1 0 221.304 1.244 10 0 BDAERO C[C@@H]([NH2+]C1(C)CCCC1)C(=O)NC1CC1 ZINC000042187133 175857767 /nfs/dbraw/zinc/85/77/67/175857767.db2.gz KRBDXDOVJYUCMW-SECBINFHSA-N 1 0 210.321 1.576 10 0 BDAERO C[C@@H]([NH2+]CC(N)=O)c1ccc(F)c(Cl)c1 ZINC000020078283 175866579 /nfs/dbraw/zinc/86/65/79/175866579.db2.gz MOCYITZICHKDLW-ZCFIWIBFSA-N 1 0 230.670 1.615 10 0 BDAERO C[C@@H]([NH2+]Cc1cncnc1)c1cccnc1 ZINC000054767072 175905976 /nfs/dbraw/zinc/90/59/76/175905976.db2.gz POPVBUOTBIOYQP-SNVBAGLBSA-N 1 0 214.272 1.722 10 0 BDAERO C[C@@H](O)c1ccccc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000049547253 175999877 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C[C@@H]1CC[C@H]([N@@H+]2CCc3n[nH]c(=O)cc3C2)C1 ZINC000275551944 176231557 /nfs/dbraw/zinc/23/15/57/176231557.db2.gz GJLBMDZIUNJXTN-KOLCDFICSA-N 1 0 233.315 1.317 10 0 BDAERO C[C@@H]1CC[C@H](OCC(=O)N2CCCCC2)C[NH2+]1 ZINC000050211413 176235587 /nfs/dbraw/zinc/23/55/87/176235587.db2.gz LWSZYPMCAHWDJC-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO C[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2N1C(=O)OC(C)(C)C ZINC000082327474 176237595 /nfs/dbraw/zinc/23/75/95/176237595.db2.gz JQSLRDLAGDXLPP-VWYCJHECSA-N 1 0 240.347 1.994 10 0 BDAERO C[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1[NH3+] ZINC000235265731 176244802 /nfs/dbraw/zinc/24/48/02/176244802.db2.gz AHMRZLIPAHNWDD-RQJHMYQMSA-N 1 0 224.226 1.135 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C[NH2+]1 ZINC000075824222 176253137 /nfs/dbraw/zinc/25/31/37/176253137.db2.gz LXBCVBNECBVUQF-SECBINFHSA-N 1 0 228.336 1.994 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1[NH+](C)C ZINC000089710018 176262794 /nfs/dbraw/zinc/26/27/94/176262794.db2.gz LOJQWPACPNXKGF-ZJUUUORDSA-N 1 0 238.356 1.770 10 0 BDAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000309750804 176274300 /nfs/dbraw/zinc/27/43/00/176274300.db2.gz GQTDRISCAZHIJC-LPWJVIDDSA-N 1 0 226.364 1.077 10 0 BDAERO C[C@@H]1CN(Cc2cccc(O)c2)C[C@H]1[NH+](C)C ZINC000251641876 176305880 /nfs/dbraw/zinc/30/58/80/176305880.db2.gz FYLHWMXWCPVJLD-BXUZGUMPSA-N 1 0 234.343 1.774 10 0 BDAERO C[C@@H]1CN([C@H](C[NH3+])Cc2ccccc2)CCO1 ZINC000036875222 176317876 /nfs/dbraw/zinc/31/78/76/176317876.db2.gz IDYDZXRJAAUYFM-OCCSQVGLSA-N 1 0 234.343 1.277 10 0 BDAERO C[C@@H]1C[N@@H+]([C@H](CN)CC(C)(C)C)CCCO1 ZINC000061916050 176318066 /nfs/dbraw/zinc/31/80/66/176318066.db2.gz FCJBDABWYKTHSK-NEPJUHHUSA-N 1 0 228.380 1.861 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOC(C)(C)C ZINC000113266995 176322467 /nfs/dbraw/zinc/32/24/67/176322467.db2.gz JBDJKGRXKVITTI-CHWSQXEVSA-N 1 0 240.391 1.970 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCSC1 ZINC000300232938 176323800 /nfs/dbraw/zinc/32/38/00/176323800.db2.gz 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REJAINAKBWDQEW-CMPLNLGQSA-N 1 0 237.372 1.519 10 0 BDAERO C[C@H]([NH3+])c1cccc(OCC(=O)N(C)C2CC2)c1 ZINC000049303780 176777201 /nfs/dbraw/zinc/77/72/01/176777201.db2.gz HPIKFMUWZGGQEM-JTQLQIEISA-N 1 0 248.326 1.706 10 0 BDAERO C[C@H](NC(=O)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000091395826 176788656 /nfs/dbraw/zinc/78/86/56/176788656.db2.gz SNJQBHGWEARZSO-ZETCQYMHSA-N 1 0 240.253 1.361 10 0 BDAERO C[C@H]([NH2+]CCN(C)C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020083628 176847553 /nfs/dbraw/zinc/84/75/53/176847553.db2.gz XFRNXCDWGOYZKM-VIFPVBQESA-N 1 0 248.330 1.068 10 0 BDAERO C[C@H]([NH2+]CCn1cccn1)c1ccc(O)cc1 ZINC000042538693 176855340 /nfs/dbraw/zinc/85/53/40/176855340.db2.gz RJPYEBKBAFIHAB-NSHDSACASA-N 1 0 231.299 1.940 10 0 BDAERO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068344 176859059 /nfs/dbraw/zinc/85/90/59/176859059.db2.gz QREAMJAQGKCRHI-QWRGUYRKSA-N 1 0 220.320 1.269 10 0 BDAERO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068372 176859836 /nfs/dbraw/zinc/85/98/36/176859836.db2.gz OPGHEEIQYQIDLS-WDEREUQCSA-N 1 0 220.320 1.127 10 0 BDAERO C[N@H+](CCN1CCCC1)C[C@H]1CCC[C@@H](O)C1 ZINC000383529135 487636030 /nfs/dbraw/zinc/63/60/30/487636030.db2.gz QJDNQAXGJYJRRH-UONOGXRCSA-N 1 0 240.391 1.565 10 0 BDAERO C[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336656842 176966552 /nfs/dbraw/zinc/96/65/52/176966552.db2.gz OZUSUKNCLIPNSU-AXFHLTTASA-N 1 0 203.301 1.875 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440261 177006672 /nfs/dbraw/zinc/00/66/72/177006672.db2.gz BQAMKGCZUHXISQ-QUBYGPBYSA-N 1 0 239.706 1.607 10 0 BDAERO C[C@H](C[NH3+])C(=O)Nc1ccccc1[C@H](C)O ZINC000054345323 177017767 /nfs/dbraw/zinc/01/77/67/177017767.db2.gz COIBQWYULSBOAE-BDAKNGLRSA-N 1 0 222.288 1.273 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)C1([NH3+])CCCC1 ZINC000049547463 177017815 /nfs/dbraw/zinc/01/78/15/177017815.db2.gz DUIOCRITKUOTSQ-JTQLQIEISA-N 1 0 248.326 1.950 10 0 BDAERO C[C@H](c1ccc(Br)cc1)[C@H](O)C[NH3+] ZINC000041289868 177031490 /nfs/dbraw/zinc/03/14/90/177031490.db2.gz 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240.347 1.047 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000089459138 487821551 /nfs/dbraw/zinc/82/15/51/487821551.db2.gz LAPKOFJDUGDPPQ-CABZTGNLSA-N 1 0 234.299 1.706 10 0 BDAERO Cc1ccncc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089462408 487822407 /nfs/dbraw/zinc/82/24/07/487822407.db2.gz LRCZILGGRSVRMJ-QWRGUYRKSA-N 1 0 233.315 1.704 10 0 BDAERO CC(C)[C@@H](C)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000252429082 487823936 /nfs/dbraw/zinc/82/39/36/487823936.db2.gz PCQYFNBXOLXMKO-HTQZYQBOSA-N 1 0 212.259 1.852 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089462009 487823982 /nfs/dbraw/zinc/82/39/82/487823982.db2.gz MFIFSACYIWQEIK-STQMWFEESA-N 1 0 247.342 1.381 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)N1CCC[C@@H](C)C1 ZINC000234420279 487825087 /nfs/dbraw/zinc/82/50/87/487825087.db2.gz KWMYGLCIUYEKIP-ZJUUUORDSA-N 1 0 213.325 1.036 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000676234681 487826261 /nfs/dbraw/zinc/82/62/61/487826261.db2.gz JFXDDPPSDKPFFZ-LLVKDONJSA-N 1 0 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249.358 1.200 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1nccn1C ZINC000226914838 491052712 /nfs/dbraw/zinc/05/27/12/491052712.db2.gz BDNMJRMTMJOSDG-GARJFASQSA-N 1 0 223.320 1.374 10 0 BDAERO COCC[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086931192 491065154 /nfs/dbraw/zinc/06/51/54/491065154.db2.gz NDFNEBATMXXYJQ-VXGBXAGGSA-N 1 0 212.337 1.191 10 0 BDAERO Cc1c(C[NH2+][C@@H]2CCC[C@H](O)C2)cnn1C ZINC000086551956 491063060 /nfs/dbraw/zinc/06/30/60/491063060.db2.gz LMAUSCQWYWDNPT-NEPJUHHUSA-N 1 0 223.320 1.122 10 0 BDAERO Cc1cnccc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000228693600 491111184 /nfs/dbraw/zinc/11/11/84/491111184.db2.gz HMPRRGQQAKPMJE-WCQYABFASA-N 1 0 247.342 1.381 10 0 BDAERO Cc1cc(C(C)C)nc(N(C)[C@H](C)C[NH3+])n1 ZINC000229932875 491121236 /nfs/dbraw/zinc/12/12/36/491121236.db2.gz FDGOCCVGMJBSOC-SNVBAGLBSA-N 1 0 222.336 1.692 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCOCC1 ZINC000083550796 491126460 /nfs/dbraw/zinc/12/64/60/491126460.db2.gz PNBBAIWZMHPGQD-TZMCWYRMSA-N 1 0 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O=C(c1cc([C@H]2CCC[NH2+]C2)n[nH]1)N1CCCC1 ZINC000229011170 526628520 /nfs/dbraw/zinc/62/85/20/526628520.db2.gz JQLJGOKVVMJPMB-JTQLQIEISA-N 1 0 248.330 1.113 10 0 BDAERO [NH3+]CCCNc1cncc(Br)c1 ZINC000300775474 527182324 /nfs/dbraw/zinc/18/23/24/527182324.db2.gz SJNJBRSXNJXGDW-UHFFFAOYSA-N 1 0 230.109 1.605 10 0 BDAERO CC(C)OC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000496719885 527810128 /nfs/dbraw/zinc/81/01/28/527810128.db2.gz NBSILKLTRZRKDQ-NSHDSACASA-N 1 0 228.336 1.805 10 0 BDAERO CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401624647 527992299 /nfs/dbraw/zinc/99/22/99/527992299.db2.gz URQCJGSKKFGALQ-IJLUTSLNSA-N 1 0 243.347 1.421 10 0 BDAERO CC1(C)C[C@H]1NC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000335298638 534925046 /nfs/dbraw/zinc/92/50/46/534925046.db2.gz HYSVQPYWFPUQHI-NXEZZACHSA-N 1 0 239.363 1.554 10 0 BDAERO CC(C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000227461548 535151261 /nfs/dbraw/zinc/15/12/61/535151261.db2.gz KUEMPUKYDABPKO-QJPTWQEYSA-N 1 0 226.364 1.783 10 0 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CC[C@@]1(N)C[NH2+]C[C@H]1c1ccc(OC)c(C)c1 ZINC000725262834 538089411 /nfs/dbraw/zinc/08/94/11/538089411.db2.gz XXXFDZFAQGWONK-GXTWGEPZSA-N 1 0 234.343 1.798 10 0 BDAERO C[NH2+]Cc1cn([C@@H]2CCNc3ccccc32)nn1 ZINC000725263220 538089173 /nfs/dbraw/zinc/08/91/73/538089173.db2.gz XLGQJBZENDBXPI-CYBMUJFWSA-N 1 0 243.314 1.403 10 0 BDAERO CCSCC[C@@H](O)C1(C[NH3+])CCC1 ZINC000164110648 566464010 /nfs/dbraw/zinc/46/40/10/566464010.db2.gz WUEBSFOKEVUWGW-SECBINFHSA-N 1 0 203.351 1.620 10 0 BDAERO OC[C@H](CC[NH2+]C1CC1)C1CCOCC1 ZINC000685963797 566487935 /nfs/dbraw/zinc/48/79/35/566487935.db2.gz XBJYVYLVBSFCDQ-NSHDSACASA-N 1 0 213.321 1.164 10 0 BDAERO CC(C)(C)Cc1cc2n(n1)[C@H](C[NH3+])CCN2 ZINC000232492005 566491043 /nfs/dbraw/zinc/49/10/43/566491043.db2.gz UADQCLJKOFWRIN-JTQLQIEISA-N 1 0 222.336 1.787 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(Cc2cccnc2)no1 ZINC000111256667 588737981 /nfs/dbraw/zinc/73/79/81/588737981.db2.gz ILYCLQQGQMCAGB-MWLCHTKSSA-N 1 0 244.298 1.378 10 0 BDAERO C[C@H](F)CN1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757124917 582500066 /nfs/dbraw/zinc/50/00/66/582500066.db2.gz COTBLQBOZHRQSR-QJPTWQEYSA-N 1 0 214.328 1.951 10 0 BDAERO C[C@H]1[NH2+]CCC[C@]12CCCN2CC(F)F ZINC000757125499 582500963 /nfs/dbraw/zinc/50/09/63/582500963.db2.gz DXAGCRISPUIYPV-KOLCDFICSA-N 1 0 218.291 1.858 10 0 BDAERO COCCC[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757130727 582505008 /nfs/dbraw/zinc/50/50/08/582505008.db2.gz NYPCJUOSHWJLRP-OLZOCXBDSA-N 1 0 226.364 1.629 10 0 BDAERO C[C@H](F)CN1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757133895 582510483 /nfs/dbraw/zinc/51/04/83/582510483.db2.gz VMMPYNOTRYCLQZ-WOPDTQHZSA-N 1 0 214.328 1.808 10 0 BDAERO COCCN1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757135081 582513708 /nfs/dbraw/zinc/51/37/08/582513708.db2.gz YHBSAJRLOCZWMT-VXGBXAGGSA-N 1 0 212.337 1.097 10 0 BDAERO C1CC1[C@@H]1CCO[C@@]2(CCCOCC2)[NH2+]1 ZINC000757138213 582517128 /nfs/dbraw/zinc/51/71/28/582517128.db2.gz BDYAFPCEVRJXKR-NWDGAFQWSA-N 1 0 211.305 1.672 10 0 BDAERO 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NC[C@@H]1C[C@@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757218619 582561834 /nfs/dbraw/zinc/56/18/34/582561834.db2.gz VIWITIWZQKFIFR-IUCAKERBSA-N 1 0 224.329 1.355 10 0 BDAERO CC(=O)c1cccc([C@H]2NCCC[C@@H]2[NH3+])c1 ZINC000757218642 582562521 /nfs/dbraw/zinc/56/25/21/582562521.db2.gz WPAROQATXDJGCK-QWHCGFSZSA-N 1 0 218.300 1.641 10 0 BDAERO CC(=O)c1cccc([C@@H]2NC[C@H]([NH3+])C[C@H]2C)c1 ZINC000757218535 582562702 /nfs/dbraw/zinc/56/27/02/582562702.db2.gz VQYPNSVNZLEOLW-OWYVNGRQSA-N 1 0 232.327 1.887 10 0 BDAERO [NH3+]C[C@H]1CCC[NH2+][C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000757218034 582562814 /nfs/dbraw/zinc/56/28/14/582562814.db2.gz UUGYXXLWFIEPJQ-VXGBXAGGSA-N 1 0 234.299 1.384 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@H]2C2CCCC2)N1 ZINC000235694800 582603229 /nfs/dbraw/zinc/60/32/29/582603229.db2.gz YGVGQOFHGBAYDL-ONGXEEELSA-N 1 0 207.321 1.599 10 0 BDAERO Cc1cnn2c1NCC[C@@H]2[C@@H]1CCC[NH2+]C1 ZINC000235970851 582633289 /nfs/dbraw/zinc/63/32/89/582633289.db2.gz SNPBPTABPUIHHN-GHMZBOCLSA-N 1 0 220.320 1.548 10 0 BDAERO Cc1cn2c([nH+]1)N[C@@H](c1ccnn1C)CC2 ZINC000236044879 582637373 /nfs/dbraw/zinc/63/73/73/582637373.db2.gz RKFYFAWALACLOZ-SECBINFHSA-N 1 0 217.276 1.482 10 0 BDAERO C[C@H]([NH3+])C1CN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC000719820402 582666470 /nfs/dbraw/zinc/66/64/70/582666470.db2.gz DCPOQAGYDPULMZ-BDAKNGLRSA-N 1 0 212.337 1.474 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCC(F)(F)F ZINC000129055105 582715714 /nfs/dbraw/zinc/71/57/14/582715714.db2.gz RJBRTVHXANSCTO-SSDOTTSWSA-N 1 0 226.242 1.428 10 0 BDAERO Fc1ccc(-c2cnnn2[C@@H]2CC[NH2+]C2)cc1 ZINC000258904762 582752593 /nfs/dbraw/zinc/75/25/93/582752593.db2.gz OLOXLBRPHILTPT-LLVKDONJSA-N 1 0 232.262 1.619 10 0 BDAERO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1F)C(N)=O ZINC000107323150 582805336 /nfs/dbraw/zinc/80/53/36/582805336.db2.gz DVJPYRSBBCHDAE-NSHDSACASA-N 1 0 242.269 1.564 10 0 BDAERO Cc1ccc2c(c1)[C@]1(CC[NH2+]C1)OC(=O)N2 ZINC000259575800 582847136 /nfs/dbraw/zinc/84/71/36/582847136.db2.gz YEJQWLBUGOISHS-GFCCVEGCSA-N 1 0 218.256 1.746 10 0 BDAERO COC(=O)[C@H](CC(C)C)n1cc[nH+]c1N ZINC000702655550 582926498 /nfs/dbraw/zinc/92/64/98/582926498.db2.gz ZBDXXQAUEUAGHL-QMMMGPOBSA-N 1 0 211.265 1.226 10 0 BDAERO C[C@H]1C[C@@]2(CN1C)[NH2+]CCc1sccc12 ZINC000397191917 583098296 /nfs/dbraw/zinc/09/82/96/583098296.db2.gz PCFMPLLGZGJXIH-CABZTGNLSA-N 1 0 222.357 1.813 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000397816391 583109338 /nfs/dbraw/zinc/10/93/38/583109338.db2.gz JQYRNIANGQWHLC-YNEHKIRRSA-N 1 0 240.391 1.731 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)CCC2CC2)C1 ZINC000398182072 583123755 /nfs/dbraw/zinc/12/37/55/583123755.db2.gz SYPDOWGSLIHRHY-JSGCOSHPSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1nc([C@@H](O)C(F)F)sc1C[NH3+] ZINC000757127540 586425859 /nfs/dbraw/zinc/42/58/59/586425859.db2.gz JCYPJJMQOHGUQE-YFKPBYRVSA-N 1 0 208.233 1.209 10 0 BDAERO FC(F)CN1CCC[C@@]12CCC[NH2+]C2 ZINC000757131908 586426627 /nfs/dbraw/zinc/42/66/27/586426627.db2.gz QHBBDLZCAHIVSL-SNVBAGLBSA-N 1 0 204.264 1.470 10 0 BDAERO 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CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCS[C@@H]2C ZINC000757185722 586434014 /nfs/dbraw/zinc/43/40/14/586434014.db2.gz RRUMTLJSRZZEAA-YWVKMMECSA-N 1 0 229.345 1.281 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1c[nH]cn1 ZINC000757189390 586435119 /nfs/dbraw/zinc/43/51/19/586435119.db2.gz NOOKYKBOGJVRLT-BDAKNGLRSA-N 1 0 237.303 1.054 10 0 BDAERO C[C@@H]1C[C@@H](c2ccc(C=O)s2)NC[C@@H]1[NH3+] ZINC000757210647 586438287 /nfs/dbraw/zinc/43/82/87/586438287.db2.gz GMAQZPAKPPXIOM-JEZHCXPESA-N 1 0 224.329 1.558 10 0 BDAERO CC(C)(C)n1cc([C@@H]2CNC[C@H]([NH3+])C2)cn1 ZINC000757210034 586438431 /nfs/dbraw/zinc/43/84/31/586438431.db2.gz AESNXPVSRNLRSM-GXSJLCMTSA-N 1 0 222.336 1.042 10 0 BDAERO NC[C@@H]1CC[C@@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757212624 586439477 /nfs/dbraw/zinc/43/94/77/586439477.db2.gz JOEYGJKCFQYAMG-NEPJUHHUSA-N 1 0 229.327 1.962 10 0 BDAERO [NH3+][C@@H]1CCN[C@@H](c2ccc(C=O)s2)C1 ZINC000757215306 586440753 /nfs/dbraw/zinc/44/07/53/586440753.db2.gz NLCKDAXOUJFWFQ-VXNVDRBHSA-N 1 0 210.302 1.312 10 0 BDAERO [NH3+][C@H]1CC[C@H](c2cccc(C=O)c2)NC1 ZINC000757216090 586440903 /nfs/dbraw/zinc/44/09/03/586440903.db2.gz PEEHWQJLZIYPNI-NWDGAFQWSA-N 1 0 204.273 1.251 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2CC[NH2+][C@@H](C(=O)[O-])C2)c1 ZINC000757220828 586442045 /nfs/dbraw/zinc/44/20/45/586442045.db2.gz ZONSAOILFSZTNA-VXGBXAGGSA-N 1 0 234.299 1.066 10 0 BDAERO CCn1cc([C@H]2C[C@H](C(=O)OC)CC[NH2+]2)cn1 ZINC000757238216 586444149 /nfs/dbraw/zinc/44/41/49/586444149.db2.gz RVWHCONGPKXQGT-MWLCHTKSSA-N 1 0 237.303 1.117 10 0 BDAERO CCn1c2ncccc2nc1N1CCC[NH2+]CC1 ZINC000757564005 586461252 /nfs/dbraw/zinc/46/12/52/586461252.db2.gz APFHTAXTSAJYPH-UHFFFAOYSA-N 1 0 245.330 1.251 10 0 BDAERO Nc1cc[nH+]c(-c2cccc(F)c2C=O)c1N ZINC000757571480 586462444 /nfs/dbraw/zinc/46/24/44/586462444.db2.gz KXWYYIWXTZYLCE-UHFFFAOYSA-N 1 0 231.230 1.865 10 0 BDAERO C[NH2+]Cc1cnn(-c2ccc(O)cc2)c1 ZINC000107371427 588355195 /nfs/dbraw/zinc/35/51/95/588355195.db2.gz FCPUVOVBTFBUBY-UHFFFAOYSA-N 1 0 203.245 1.297 10 0 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CC(C)NC(=S)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000130400980 591464143 /nfs/dbraw/zinc/46/41/43/591464143.db2.gz CMJSJYIZEJNVCN-ZJUUUORDSA-N 1 0 229.393 1.151 10 0 BDAERO CCCCNC(=S)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000130403612 591464247 /nfs/dbraw/zinc/46/42/47/591464247.db2.gz UNYCJXMOTDTWFU-WDEREUQCSA-N 1 0 243.420 1.543 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ccc(C(F)(F)F)nn1 ZINC000132526203 591716934 /nfs/dbraw/zinc/71/69/34/591716934.db2.gz AUOXIHYOGGSQTI-LURJTMIESA-N 1 0 234.225 1.279 10 0 BDAERO C[C@H]1OCC[C@H]1NC(=O)CC[NH2+]C(C)(C)C ZINC000134554059 591935807 /nfs/dbraw/zinc/93/58/07/591935807.db2.gz CFUHBKCZRLKARY-NXEZZACHSA-N 1 0 228.336 1.058 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cn1 ZINC000217452425 592108954 /nfs/dbraw/zinc/10/89/54/592108954.db2.gz TZSTXNVBVAPFHR-DTWKUNHWSA-N 1 0 240.690 1.211 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(F)ncn1 ZINC000136904533 592152704 /nfs/dbraw/zinc/15/27/04/592152704.db2.gz LECOLBNVGHTJBR-NXEZZACHSA-N 1 0 236.294 1.289 10 0 BDAERO C[C@@H]([NH3+])c1ccc(S(C)(=O)=O)c(F)c1 ZINC000071372338 592265980 /nfs/dbraw/zinc/26/59/80/592265980.db2.gz YJKUDHLKUJJLEE-ZCFIWIBFSA-N 1 0 217.265 1.249 10 0 BDAERO O=C1O[C@]2(CN1c1ccccc1)CCC[NH2+]C2 ZINC000140635603 592477999 /nfs/dbraw/zinc/47/79/99/592477999.db2.gz MZMUZQUTSGZMJI-CYBMUJFWSA-N 1 0 232.283 1.765 10 0 BDAERO Cc1cc2c(ncnc2N2C[C@H](C)[C@H]([NH3+])C2)s1 ZINC000300048990 592501024 /nfs/dbraw/zinc/50/10/24/592501024.db2.gz OIOLBDLCBROPLT-OIBJUYFYSA-N 1 0 248.355 1.783 10 0 BDAERO OCCCCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000300332566 592507132 /nfs/dbraw/zinc/50/71/32/592507132.db2.gz YVCSMXMOOAJACX-ZDUSSCGKSA-N 1 0 226.364 1.319 10 0 BDAERO Cc1ccc(-c2noc(C[C@@H](C)[NH3+])n2)o1 ZINC000257969040 634531667 /nfs/dbraw/zinc/53/16/67/634531667.db2.gz JYDWSGSKVMOIIJ-ZCFIWIBFSA-N 1 0 207.233 1.528 10 0 BDAERO Cc1ccc(F)c(C[NH2+][C@H](C)[C@@H](C)O)c1 ZINC000336765964 635285773 /nfs/dbraw/zinc/28/57/73/635285773.db2.gz RPOPQLUDNAOPBJ-NXEZZACHSA-N 1 0 211.280 1.993 10 0 BDAERO 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ZINC000390458605 635954342 /nfs/dbraw/zinc/95/43/42/635954342.db2.gz DWWDBXHOFSRZFJ-AAEUAGOBSA-N 1 0 224.348 1.799 10 0 BDAERO CCOc1cccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC)c1 ZINC000166513373 636134982 /nfs/dbraw/zinc/13/49/82/636134982.db2.gz NPFFISHVODSEER-OLZOCXBDSA-N 1 0 249.310 1.561 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237545970 633750951 /nfs/dbraw/zinc/75/09/51/633750951.db2.gz NHICECBHLQZPSB-DGCLKSJQSA-N 1 0 232.327 1.425 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000395980077 633949370 /nfs/dbraw/zinc/94/93/70/633949370.db2.gz DERWQHPMHJRYJD-ZJUUUORDSA-N 1 0 227.352 1.602 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)[C@H](C)O ZINC000309942716 633964736 /nfs/dbraw/zinc/96/47/36/633964736.db2.gz CCHFXNVEIVZBKV-VWYCJHECSA-N 1 0 223.316 1.599 10 0 BDAERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)[C@H](C)O ZINC000309951505 633971522 /nfs/dbraw/zinc/97/15/22/633971522.db2.gz GHEZWPLDUKUGOU-RQJHMYQMSA-N 1 0 233.262 1.217 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000309951503 633972402 /nfs/dbraw/zinc/97/24/02/633972402.db2.gz GHEZWPLDUKUGOU-NKWVEPMBSA-N 1 0 233.262 1.217 10 0 BDAERO Cc1ncc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)c(C)n1 ZINC000309975818 634010143 /nfs/dbraw/zinc/01/01/43/634010143.db2.gz SPPGWOBWEJCLIJ-KHQFGBGNSA-N 1 0 223.320 1.513 10 0 BDAERO CCOC(=O)/C=C\C[N@@H+]1CCC[C@@H]1CCCO ZINC000310023821 634082853 /nfs/dbraw/zinc/08/28/53/634082853.db2.gz POWXKBUQPKIKBM-HXUAIIEXSA-N 1 0 241.331 1.343 10 0 BDAERO CCCCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190906608 634201477 /nfs/dbraw/zinc/20/14/77/634201477.db2.gz KGHWRFFQKAZKFG-WOPDTQHZSA-N 1 0 243.347 1.278 10 0 BDAERO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000194758782 634331610 /nfs/dbraw/zinc/33/16/10/634331610.db2.gz BPOLBVGYDUXDGO-AAEUAGOBSA-N 1 0 239.315 1.707 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H](C)C(C)(C)C ZINC000162791214 634364070 /nfs/dbraw/zinc/36/40/70/634364070.db2.gz HXJBPPCSDIFGGW-RKDXNWHRSA-N 1 0 200.326 1.393 10 0 BDAERO [NH3+]C1CC(C(=O)NCc2cccs2)C1 ZINC000258643970 635180433 /nfs/dbraw/zinc/18/04/33/635180433.db2.gz FMZHFUYZEHYQFA-UHFFFAOYSA-N 1 0 210.302 1.102 10 0 BDAERO CC[NH+](CC)CCn1ccnc1[C@@H]1CCOC1 ZINC000067489917 635191878 /nfs/dbraw/zinc/19/18/78/635191878.db2.gz UBNNQRGVBWCZNB-GFCCVEGCSA-N 1 0 237.347 1.729 10 0 BDAERO COc1ccsc1C[NH2+][C@H](C)[C@@H](C)O ZINC000336665565 635198809 /nfs/dbraw/zinc/19/88/09/635198809.db2.gz VHRFLESGEPYVGJ-HTQZYQBOSA-N 1 0 215.318 1.616 10 0 BDAERO Cc1ccsc1CCNC(=O)C1CC([NH3+])C1 ZINC000258837007 635211438 /nfs/dbraw/zinc/21/14/38/635211438.db2.gz ZUFOCHWJUABXGB-UHFFFAOYSA-N 1 0 238.356 1.453 10 0 BDAERO Cc1nc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)co1 ZINC000310892461 636008655 /nfs/dbraw/zinc/00/86/55/636008655.db2.gz YOSRRPQXCWVCJL-VIFPVBQESA-N 1 0 248.286 1.575 10 0 BDAERO CCC[C@H](C)C(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000675055009 636575945 /nfs/dbraw/zinc/57/59/45/636575945.db2.gz XOQGRBIGROWXOE-XWLWVQCSSA-N 1 0 210.321 1.086 10 0 BDAERO [NH3+]C1CCN(CCNc2ccc(F)cn2)CC1 ZINC000321583837 636654843 /nfs/dbraw/zinc/65/48/43/636654843.db2.gz QSINPWUVZULQQP-UHFFFAOYSA-N 1 0 238.310 1.056 10 0 BDAERO CON1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000323132950 636902330 /nfs/dbraw/zinc/90/23/30/636902330.db2.gz SVIBTBFDZBOIHU-AAEUAGOBSA-N 1 0 242.363 1.153 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000164269339 638003322 /nfs/dbraw/zinc/00/33/22/638003322.db2.gz PZUBRBNADSSOAW-VXGBXAGGSA-N 1 0 209.289 1.920 10 0 BDAERO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@@H](C)O)CC2 ZINC000348314929 639043364 /nfs/dbraw/zinc/04/33/64/639043364.db2.gz HVXATSAWRXNNDO-JTNHKYCSSA-N 1 0 249.354 1.911 10 0 BDAERO CC(C)c1nc([C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000054697802 640305959 /nfs/dbraw/zinc/30/59/59/640305959.db2.gz YGAGGYKDFIOAFG-SECBINFHSA-N 1 0 208.309 1.406 10 0 BDAERO C[C@H](C[NH3+])c1nc(C2CCCCC2)nn1C ZINC000054699330 640320412 /nfs/dbraw/zinc/32/04/12/640320412.db2.gz WFPCKBJGMHUTHG-SECBINFHSA-N 1 0 222.336 1.925 10 0 BDAERO C[C@H](C[NH3+])c1nc(C2CCCC2)nn1C ZINC000054699112 640320801 /nfs/dbraw/zinc/32/08/01/640320801.db2.gz CLMPYLHPHWSASL-MRVPVSSYSA-N 1 0 208.309 1.535 10 0 BDAERO C[NH2+][C@@H](C)c1nc(C2CCCC2)nn1C ZINC000054699107 640321918 /nfs/dbraw/zinc/32/19/18/640321918.db2.gz GWWPFTDZAAMORW-QMMMGPOBSA-N 1 0 208.309 1.753 10 0 BDAERO C[C@H]([NH3+])Cc1nc(C2CCCC2)nn1C ZINC000054699263 640322238 /nfs/dbraw/zinc/32/22/38/640322238.db2.gz ZAQJTLPMVAKWBK-QMMMGPOBSA-N 1 0 208.309 1.362 10 0 BDAERO CO[C@H](C)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000163918158 640428228 /nfs/dbraw/zinc/42/82/28/640428228.db2.gz CJIYZZZAMFNIFM-RKDXNWHRSA-N 1 0 225.292 1.319 10 0 BDAERO c1ccc([C@H]2C[C@@H]2N2CCC[NH2+]CC2)cc1 ZINC000044660143 640446020 /nfs/dbraw/zinc/44/60/20/640446020.db2.gz MIUMWYYHESCTFO-KGLIPLIRSA-N 1 0 216.328 1.838 10 0 BDAERO C[C@H](C[C@H](C)O)[NH2+]CCc1ccccc1 ZINC000164565772 640491628 /nfs/dbraw/zinc/49/16/28/640491628.db2.gz HDFGQSNOUGFZGZ-NEPJUHHUSA-N 1 0 207.317 1.978 10 0 BDAERO CCCOc1ccnc(NC[C@H]([NH3+])C2CC2)n1 ZINC000164836543 640507290 /nfs/dbraw/zinc/50/72/90/640507290.db2.gz ZYRXFESZWYMMDB-JTQLQIEISA-N 1 0 236.319 1.415 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(NC)ncn1 ZINC000156850409 640512707 /nfs/dbraw/zinc/51/27/07/640512707.db2.gz IATAHBBEEOSCNJ-NSHDSACASA-N 1 0 249.362 1.439 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H](C)O)cc1 ZINC000349332677 640514272 /nfs/dbraw/zinc/51/42/72/640514272.db2.gz OGNDJJJRFAMZKE-ZJUUUORDSA-N 1 0 237.299 1.332 10 0 BDAERO Cc1cc(N[C@H](C)[C@H]2CCCO2)nc(N)[nH+]1 ZINC000046015527 640690669 /nfs/dbraw/zinc/69/06/69/640690669.db2.gz OVAHJXWHKCNNEX-RKDXNWHRSA-N 1 0 222.292 1.347 10 0 BDAERO Cc1nc(-c2ccc(C[NH3+])cc2)n(C)n1 ZINC000054499293 640706686 /nfs/dbraw/zinc/70/66/86/640706686.db2.gz LLPCNUUENPHFNJ-UHFFFAOYSA-N 1 0 202.261 1.249 10 0 BDAERO C[C@H](CCO)[NH2+][C@H]1COc2ccccc21 ZINC000167931711 640766264 /nfs/dbraw/zinc/76/62/64/640766264.db2.gz KUXRZABCHPZKDV-KOLCDFICSA-N 1 0 207.273 1.481 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000226826781 640798308 /nfs/dbraw/zinc/79/83/08/640798308.db2.gz WIZGYONDVGROKQ-MVWJERBFSA-N 1 0 218.300 1.836 10 0 BDAERO CCN1CCC[C@@H]1C[N@H+](C)CCCCCCO ZINC000226839358 640802013 /nfs/dbraw/zinc/80/20/13/640802013.db2.gz RDOBWLITDKXJHM-CQSZACIVSA-N 1 0 242.407 1.955 10 0 BDAERO CC1(C)[C@H]([NH2+]CC[C@H]2CCCO2)[C@@H]2CCO[C@H]21 ZINC000227071134 640814363 /nfs/dbraw/zinc/81/43/63/640814363.db2.gz FZMWBDKUCPKEFU-YVECIDJPSA-N 1 0 239.359 1.959 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cn1 ZINC000158179805 640819724 /nfs/dbraw/zinc/81/97/24/640819724.db2.gz JEAYTKXRXSVOIO-OLZOCXBDSA-N 1 0 220.316 1.783 10 0 BDAERO Cc1ccnc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000227201643 640821438 /nfs/dbraw/zinc/82/14/38/640821438.db2.gz OKRGVTVFIKUYNV-GXSJLCMTSA-N 1 0 220.320 1.349 10 0 BDAERO CO[C@H](c1noc(C2CC[NH2+]CC2)n1)C1CC1 ZINC000227332975 640827226 /nfs/dbraw/zinc/82/72/26/640827226.db2.gz SZCJYLIUBMBGFH-JTQLQIEISA-N 1 0 237.303 1.634 10 0 BDAERO CO[C@H](c1noc(C[C@H]([NH3+])C2CC2)n1)C1CC1 ZINC000227332466 640827845 /nfs/dbraw/zinc/82/78/45/640827845.db2.gz JZQNPNFMPADULC-ONGXEEELSA-N 1 0 237.303 1.447 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=S)NC(C)C)C1 ZINC000060432118 640859947 /nfs/dbraw/zinc/85/99/47/640859947.db2.gz QYEJIRIDPQTQKA-JTQLQIEISA-N 1 0 229.393 1.343 10 0 BDAERO CC1(c2noc([C@H]3CC[C@@H]([NH3+])C3)n2)CC1 ZINC000087548241 640922289 /nfs/dbraw/zinc/92/22/89/640922289.db2.gz VTTHWNHWSJLQRT-JGVFFNPUSA-N 1 0 207.277 1.716 10 0 BDAERO CC1(c2noc([C@@H]3CCC[C@H]3C[NH3+])n2)CC1 ZINC000087548657 640922371 /nfs/dbraw/zinc/92/23/71/640922371.db2.gz CQFGNELDEFEDMQ-DTWKUNHWSA-N 1 0 221.304 1.964 10 0 BDAERO C[S@@](=O)CCC[NH2+]CCc1ccccc1 ZINC000229105263 640924092 /nfs/dbraw/zinc/92/40/92/640924092.db2.gz DPBAMKKWEAVYBZ-OAHLLOKOSA-N 1 0 225.357 1.587 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ncnc2c1CCC2 ZINC000061278372 640948191 /nfs/dbraw/zinc/94/81/91/640948191.db2.gz VYFDBZDHNQBICY-LLVKDONJSA-N 1 0 246.358 1.544 10 0 BDAERO Cc1ccc(C=O)c(N2CC[NH2+]CC2)c1 ZINC000675063988 640959276 /nfs/dbraw/zinc/95/92/76/640959276.db2.gz DEECUYNJPNCVBC-UHFFFAOYSA-N 1 0 204.273 1.217 10 0 BDAERO COc1cc2c(cc1OC)OC[C@H]([C@@H](C)[NH3+])C2 ZINC000675064112 640960585 /nfs/dbraw/zinc/96/05/85/640960585.db2.gz VTOGLCPRHKOXNC-PSASIEDQSA-N 1 0 237.299 1.602 10 0 BDAERO Cc1c(C[NH2+]C[C@@H](O)c2ccco2)cnn1C ZINC000229803156 640983366 /nfs/dbraw/zinc/98/33/66/640983366.db2.gz CAIZVQDBHOPMBO-LLVKDONJSA-N 1 0 235.287 1.145 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000229866220 640988475 /nfs/dbraw/zinc/98/84/75/640988475.db2.gz JLKJHKNUEZRBSC-NEPJUHHUSA-N 1 0 213.321 1.448 10 0 BDAERO c1cc(Cc2noc([C@H]3CC[NH2+]C3)n2)ccn1 ZINC000062119829 641024133 /nfs/dbraw/zinc/02/41/33/641024133.db2.gz RNQBDHYBKSHJDL-JTQLQIEISA-N 1 0 230.271 1.132 10 0 BDAERO CCn1nnc(C[NH3+])c1-c1ccccc1 ZINC000062297645 641035393 /nfs/dbraw/zinc/03/53/93/641035393.db2.gz RTQDZXQXYDXQFA-UHFFFAOYSA-N 1 0 202.261 1.424 10 0 BDAERO CC(C)[C@@H](C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000230212931 641038675 /nfs/dbraw/zinc/03/86/75/641038675.db2.gz MWFCMAGPCOKQDE-ZJUUUORDSA-N 1 0 201.310 1.772 10 0 BDAERO [NH3+]C[C@H]1CC(OCc2ccccc2)=NO1 ZINC000034328700 641160735 /nfs/dbraw/zinc/16/07/35/641160735.db2.gz NVTKDPWDHZNADC-SNVBAGLBSA-N 1 0 206.245 1.264 10 0 BDAERO CS[C@H](CO)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000232010745 641228570 /nfs/dbraw/zinc/22/85/70/641228570.db2.gz FMIKEWPJVLJBDA-DGCLKSJQSA-N 1 0 239.384 1.931 10 0 BDAERO CO[C@H](C[NH3+])Cc1nc(CC(C)(C)C)no1 ZINC000232131237 641243684 /nfs/dbraw/zinc/24/36/84/641243684.db2.gz WLZJXFWBKDRHSL-QMMMGPOBSA-N 1 0 227.308 1.174 10 0 BDAERO [NH3+][C@@H](C(=O)N[C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000040462127 641530857 /nfs/dbraw/zinc/53/08/57/641530857.db2.gz AOJADTGCKFALGY-YNEHKIRRSA-N 1 0 248.326 1.106 10 0 BDAERO CC[C@H]([NH2+]C[C@H](O)COC(C)C)C(C)C ZINC000042588388 641555660 /nfs/dbraw/zinc/55/56/60/641555660.db2.gz RZERLYGVNKAFRM-RYUDHWBXSA-N 1 0 217.353 1.797 10 0 BDAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3ccncn3)no2)C1 ZINC000156261534 641602300 /nfs/dbraw/zinc/60/23/00/641602300.db2.gz DUEZVGHPLYNJMT-JGVFFNPUSA-N 1 0 231.259 1.121 10 0 BDAERO CO[C@H](C)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158919776 641658398 /nfs/dbraw/zinc/65/83/98/641658398.db2.gz BIHIZRCOHMGFMK-UTUOFQBUSA-N 1 0 242.363 1.256 10 0 BDAERO O=C1c2ccoc2CC[C@H]1[C@H]1CCC[NH2+]1 ZINC000159165210 641669492 /nfs/dbraw/zinc/66/94/92/641669492.db2.gz VYKMUFYOWPDYET-WCBMZHEXSA-N 1 0 205.257 1.777 10 0 BDAERO C[C@H]([NH2+]Cc1ccc(F)nc1)[C@H]1CCCO1 ZINC000188987768 641781223 /nfs/dbraw/zinc/78/12/23/641781223.db2.gz FIZURGSHMTXLRD-GXSJLCMTSA-N 1 0 224.279 1.878 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000189122607 641788531 /nfs/dbraw/zinc/78/85/31/641788531.db2.gz SAWDYQITYKIKPM-VXGBXAGGSA-N 1 0 238.306 1.861 10 0 BDAERO CCON1CCC([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000324432984 641832866 /nfs/dbraw/zinc/83/28/66/641832866.db2.gz BVSFTWJZJAMFQO-GFCCVEGCSA-N 1 0 244.379 1.399 10 0 BDAERO COC(=O)/C(C)=C/C[NH2+]C[C@H](O)C(C)(C)C ZINC000324641776 641885323 /nfs/dbraw/zinc/88/53/23/641885323.db2.gz XPMCUBXOTOICQK-ZKXNXJMVSA-N 1 0 229.320 1.102 10 0 BDAERO C[C@@H]1C[N@H+](CCCCCCO)C[C@H]1CO ZINC000190870914 641893172 /nfs/dbraw/zinc/89/31/72/641893172.db2.gz UFRCQFPBDSCDBQ-NEPJUHHUSA-N 1 0 215.337 1.099 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1cccs1)C(N)=O ZINC000041041953 642508249 /nfs/dbraw/zinc/50/82/49/642508249.db2.gz UXPLUQQXBZUKCV-SECBINFHSA-N 1 0 212.318 1.348 10 0 BDAERO CCc1ncnc(N(CC)[C@@H]2CC[NH2+]C2)c1F ZINC000233490426 642673643 /nfs/dbraw/zinc/67/36/43/642673643.db2.gz DPDKONSDQQVJDZ-SECBINFHSA-N 1 0 238.310 1.366 10 0 BDAERO OCCCCCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000175450811 642686880 /nfs/dbraw/zinc/68/68/80/642686880.db2.gz AFTYPDNQMZXWNH-AWEZNQCLSA-N 1 0 240.391 1.709 10 0 BDAERO CC[C@@H]1CCCC[C@@]1(C[NH3+])OCCO ZINC000233910943 642710530 /nfs/dbraw/zinc/71/05/30/642710530.db2.gz DEITVGQDQAQLQD-MNOVXSKESA-N 1 0 201.310 1.293 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N1CCC([NH3+])CC1 ZINC000237545305 642714466 /nfs/dbraw/zinc/71/44/66/642714466.db2.gz OTPAHVSSZASCHS-GFCCVEGCSA-N 1 0 246.354 1.815 10 0 BDAERO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)[C@@H]1CCCO1 ZINC000183156364 643092953 /nfs/dbraw/zinc/09/29/53/643092953.db2.gz GRDJJILZSFVIKN-AXFHLTTASA-N 1 0 227.304 1.097 10 0 BDAERO CCN(c1cnc2ccccc2n1)[C@H]1CC[NH2+]C1 ZINC000071314121 643124140 /nfs/dbraw/zinc/12/41/40/643124140.db2.gz ZRFWVJJFBOHCJV-NSHDSACASA-N 1 0 242.326 1.818 10 0 BDAERO O=C(Nc1n[nH]c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000082280879 643293094 /nfs/dbraw/zinc/29/30/94/643293094.db2.gz ZJOWFUIXYYELAR-VIFPVBQESA-N 1 0 244.298 1.501 10 0 BDAERO Cc1nnc(N2C[C@H]([NH3+])C(C)(C)C2)s1 ZINC000306948940 643299450 /nfs/dbraw/zinc/29/94/50/643299450.db2.gz AIHOUKXGCZWCLR-ZETCQYMHSA-N 1 0 212.322 1.020 10 0 BDAERO Cc1cccc(C)c1CN1CC[C@@H]1C[NH3+] ZINC000757144222 643315767 /nfs/dbraw/zinc/31/57/67/643315767.db2.gz IHOWOUOJIMFVIG-GFCCVEGCSA-N 1 0 204.317 1.836 10 0 BDAERO c1coc([C@@H]2CCO[C@]3(CN4CCC3CC4)N2)c1 ZINC000757154136 643346099 /nfs/dbraw/zinc/34/60/99/643346099.db2.gz YYYDIIMAWZFTGM-JSGCOSHPSA-N 1 0 248.326 1.753 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ccc(Br)cn1 ZINC000082592420 643351131 /nfs/dbraw/zinc/35/11/31/643351131.db2.gz VGPIJECIFVWIIW-ZETCQYMHSA-N 1 0 244.136 1.628 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ncccc1C(F)(F)F ZINC000082592564 643352032 /nfs/dbraw/zinc/35/20/32/643352032.db2.gz JUZZRILBANMGEE-ZETCQYMHSA-N 1 0 233.237 1.884 10 0 BDAERO COC(=O)/C=C1/CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000757190709 643362241 /nfs/dbraw/zinc/36/22/41/643362241.db2.gz CAKOPLABVIJFIH-DLXGREBBSA-N 1 0 209.289 1.638 10 0 BDAERO CC(C)(C)Cc1noc(C[C@H]([NH3+])C2CC2)n1 ZINC000082675358 643365386 /nfs/dbraw/zinc/36/53/86/643365386.db2.gz KASFCHKIDVCWMB-VIFPVBQESA-N 1 0 223.320 1.938 10 0 BDAERO [NH3+][C@@H]1CCN([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000250820557 643376487 /nfs/dbraw/zinc/37/64/87/643376487.db2.gz RVVLAKYTNMYFKE-UPJWGTAASA-N 1 0 202.301 1.576 10 0 BDAERO CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)n1ccnc1 ZINC000082800120 643381822 /nfs/dbraw/zinc/38/18/22/643381822.db2.gz ARYQAEGUGFLWIS-KOLCDFICSA-N 1 0 225.292 1.115 10 0 BDAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2c2cccs2)N1 ZINC000235434636 643391921 /nfs/dbraw/zinc/39/19/21/643391921.db2.gz NEKHQQHYTYXEMT-RKDXNWHRSA-N 1 0 221.329 1.843 10 0 BDAERO COc1cc2c(c(OC)c1)[C@H]([NH3+])[C@@H](C)O2 ZINC000068875180 643432535 /nfs/dbraw/zinc/43/25/35/643432535.db2.gz LPYMPWNCZSNXQP-KSBSHMNSSA-N 1 0 209.245 1.485 10 0 BDAERO CC1(C)CCC(C[NH3+])(OCCO)CC1 ZINC000083401645 643445020 /nfs/dbraw/zinc/44/50/20/643445020.db2.gz PAUVSRQGNFAAKN-UHFFFAOYSA-N 1 0 201.310 1.293 10 0 BDAERO Cc1cc(C)c2c(c1)NC(=O)C[C@@H]2C[NH3+] ZINC000083985378 643637463 /nfs/dbraw/zinc/63/74/63/643637463.db2.gz NJCAPFHXLXTMNR-SECBINFHSA-N 1 0 204.273 1.688 10 0 BDAERO COc1cccc2c1NC(=O)C[C@H]2C[NH3+] ZINC000083986228 643638519 /nfs/dbraw/zinc/63/85/19/643638519.db2.gz KORKKUSUIYRLSX-ZETCQYMHSA-N 1 0 206.245 1.080 10 0 BDAERO [NH3+]C1CC(CNC(=O)C2CCCCC2)C1 ZINC000084446950 643663970 /nfs/dbraw/zinc/66/39/70/643663970.db2.gz ISDJFQQMTGRUHH-UHFFFAOYSA-N 1 0 210.321 1.420 10 0 BDAERO CC1CCN(C(=O)NCC2CC([NH3+])C2)CC1 ZINC000085971281 643868751 /nfs/dbraw/zinc/86/87/51/643868751.db2.gz UIMXGGOZYNXOTN-UHFFFAOYSA-N 1 0 225.336 1.165 10 0 BDAERO c1ccc2c(c1)C[C@@H](COC1C[NH2+]C1)S2 ZINC000086099825 643904826 /nfs/dbraw/zinc/90/48/26/643904826.db2.gz LBXNENUZNFTKPL-NSHDSACASA-N 1 0 221.325 1.692 10 0 BDAERO CCCCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035188345 643913735 /nfs/dbraw/zinc/91/37/35/643913735.db2.gz COAVRSMRIQJTQV-SNVBAGLBSA-N 1 0 230.352 1.042 10 0 BDAERO CC[C@H]([NH2+]CCC[S@](C)=O)[C@@H]1C[C@@H]1C ZINC000321913145 644181619 /nfs/dbraw/zinc/18/16/19/644181619.db2.gz PXEXRZIYIGWWSK-MIJXAVMKSA-N 1 0 217.378 1.779 10 0 BDAERO CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000174559892 644257437 /nfs/dbraw/zinc/25/74/37/644257437.db2.gz YLPDXRZSEXUNEC-CMPLNLGQSA-N 1 0 224.348 1.631 10 0 BDAERO C1[NH2+]CC1O[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000086905291 644275667 /nfs/dbraw/zinc/27/56/67/644275667.db2.gz ZFULQNDKCRFYOI-MWLCHTKSSA-N 1 0 229.345 1.030 10 0 BDAERO CO[C@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000195440525 644390388 /nfs/dbraw/zinc/39/03/88/644390388.db2.gz UZCMLJLAGLAWIW-VXGBXAGGSA-N 1 0 244.379 1.504 10 0 BDAERO c1nc(-c2nc(C[C@H]3CCC[NH2+]3)no2)cs1 ZINC000083336576 644402571 /nfs/dbraw/zinc/40/25/71/644402571.db2.gz IFIUDPXYMKZHFV-SSDOTTSWSA-N 1 0 236.300 1.488 10 0 BDAERO COCc1noc([C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000084300362 644423708 /nfs/dbraw/zinc/42/37/08/644423708.db2.gz MQZSKULYRRGMIW-DTWKUNHWSA-N 1 0 225.292 1.449 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)C1CC1 ZINC000086189944 644459102 /nfs/dbraw/zinc/45/91/02/644459102.db2.gz QYDOHYXDUWQTFM-STQMWFEESA-N 1 0 226.364 1.173 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000087222033 644482432 /nfs/dbraw/zinc/48/24/32/644482432.db2.gz HGKMEKLQYCBSIU-WCQGTBRESA-N 1 0 224.348 1.809 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685946238 644517778 /nfs/dbraw/zinc/51/77/78/644517778.db2.gz GLFFXFVZDBWZDX-LOWVWBTDSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)C1[NH+]1CCC(F)(F)CC1 ZINC000685951918 644518901 /nfs/dbraw/zinc/51/89/01/644518901.db2.gz ZEFFQGZVUSTEDQ-NXEZZACHSA-N 1 0 232.318 1.962 10 0 BDAERO CC(C)[N@H+](CCn1cncn1)C[C@@H]1C[C@H]1C ZINC000089922132 644571560 /nfs/dbraw/zinc/57/15/60/644571560.db2.gz TVRXGDUWXGRNAD-NEPJUHHUSA-N 1 0 222.336 1.645 10 0 BDAERO CC[N@H+](C)CCNc1ccc2nccn2n1 ZINC000091461593 644626904 /nfs/dbraw/zinc/62/69/04/644626904.db2.gz WPLKDMGPIXQUDX-UHFFFAOYSA-N 1 0 219.292 1.093 10 0 BDAERO Cc1ccc(CC(=O)NCC2CC([NH3+])C2)cc1 ZINC000091525902 644629281 /nfs/dbraw/zinc/62/92/81/644629281.db2.gz OJDBZGSCWWMNNU-UHFFFAOYSA-N 1 0 232.327 1.391 10 0 BDAERO CC1(C)C(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000092818204 644668187 /nfs/dbraw/zinc/66/81/87/644668187.db2.gz GOMVTWBIYRBOPA-ZJUUUORDSA-N 1 0 238.375 1.912 10 0 BDAERO Cc1ccc(C(=O)NCC2CC([NH3+])C2)c(F)c1 ZINC000094925471 644732778 /nfs/dbraw/zinc/73/27/78/644732778.db2.gz BNQRCDDQTVYDAP-UHFFFAOYSA-N 1 0 236.290 1.601 10 0 BDAERO [NH3+][C@H](CCO)c1c(F)cccc1Br ZINC000095638638 644761255 /nfs/dbraw/zinc/76/12/55/644761255.db2.gz ZCFBOPMONRUFNJ-MRVPVSSYSA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+]C[C@@H]1c2ccccc2CCN1C[C@H]1CCCO1 ZINC000250534432 644762425 /nfs/dbraw/zinc/76/24/25/644762425.db2.gz NTPCMBMKRDTZSB-UKRRQHHQSA-N 1 0 246.354 1.724 10 0 BDAERO CC(C)(C)C(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000251093397 644792227 /nfs/dbraw/zinc/79/22/27/644792227.db2.gz ZWVCLDFHUCFZPH-LBPRGKRZSA-N 1 0 238.375 1.772 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000251469914 644805076 /nfs/dbraw/zinc/80/50/76/644805076.db2.gz DNLXMQZPRCEMSA-ZMLRMANQSA-N 1 0 224.348 1.666 10 0 BDAERO C[C@@H]1CCCN(C[C@@H]2CCCO2)[C@H]1C[NH3+] ZINC000252182333 644840162 /nfs/dbraw/zinc/84/01/62/644840162.db2.gz QFXCZVOIJBCJQU-WOPDTQHZSA-N 1 0 212.337 1.225 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000252890011 644919446 /nfs/dbraw/zinc/91/94/46/644919446.db2.gz GESFUCANLYQZAA-JSGCOSHPSA-N 1 0 235.327 1.424 10 0 BDAERO C([NH2+]CC1CC1)c1nc(CC2CCC2)no1 ZINC000304692845 644926184 /nfs/dbraw/zinc/92/61/84/644926184.db2.gz ZZBGEUACIUXWDK-UHFFFAOYSA-N 1 0 221.304 1.912 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncncc1Cl ZINC000723822508 711537744 /nfs/dbraw/zinc/53/77/44/711537744.db2.gz JWMSKDDSKQJDCL-SFYZADRCSA-N 1 0 226.711 1.397 10 0 BDAERO CC(C)(O)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000724690297 711608462 /nfs/dbraw/zinc/60/84/62/711608462.db2.gz SOMYVSDUVFBCEZ-UHFFFAOYSA-N 1 0 215.312 1.971 10 0 BDAERO [NH3+]C[C@H]1C[C@H](Nc2ncccc2Cl)C1 ZINC000725646772 711668503 /nfs/dbraw/zinc/66/85/03/711668503.db2.gz IFIVLXJXVFUMQE-ZKCHVHJHSA-N 1 0 211.696 1.884 10 0 BDAERO CO[C@H]1C[C@@H](CN2CC(=O)CC[C@@H]2C)C1 ZINC000725642880 711668430 /nfs/dbraw/zinc/66/84/30/711668430.db2.gz QWGYBRCNRWRLLT-JBLDHEPKSA-N 1 0 211.305 1.465 10 0 BDAERO [NH3+]C[C@H]1C[C@H](Nc2ncncc2Cl)C1 ZINC000725654267 711759064 /nfs/dbraw/zinc/75/90/64/711759064.db2.gz GKBJEXKNAXZGOX-LJGSYFOKSA-N 1 0 212.684 1.279 10 0 BDAERO CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000721262517 711804037 /nfs/dbraw/zinc/80/40/37/711804037.db2.gz QHGKDSHJFFCPFI-RNJOBUHISA-N 1 0 243.347 1.074 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000702263919 712042668 /nfs/dbraw/zinc/04/26/68/712042668.db2.gz NKVFQTDAKBCQGJ-GHMZBOCLSA-N 1 0 246.782 1.457 10 0 BDAERO Cc1ncc(CN2C[C@@H](F)C[C@H]2C[NH3+])s1 ZINC000378690606 712357559 /nfs/dbraw/zinc/35/75/59/712357559.db2.gz IGHIUXLKZNSORM-IUCAKERBSA-N 1 0 229.324 1.323 10 0 BDAERO C[C@@H](O)C1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000712521983 712440460 /nfs/dbraw/zinc/44/04/60/712440460.db2.gz AVDOJSXPOMUKSR-MBNYWOFBSA-N 1 0 241.375 1.630 10 0 BDAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CCOC[C@H]1O ZINC000713049847 712452087 /nfs/dbraw/zinc/45/20/87/712452087.db2.gz OAIJINFXQNGVRH-MROQNXINSA-N 1 0 241.375 1.941 10 0 BDAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC1(C)COC1 ZINC000712991112 712449783 /nfs/dbraw/zinc/44/97/83/712449783.db2.gz SKENRNQYPJVIEU-JTQLQIEISA-N 1 0 242.363 1.149 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCCC1(F)F ZINC000713984953 712475919 /nfs/dbraw/zinc/47/59/19/712475919.db2.gz RSKBEDUGEOAWOO-UWVGGRQHSA-N 1 0 246.301 1.762 10 0 BDAERO COCC1CC([NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000714010858 712477325 /nfs/dbraw/zinc/47/73/25/712477325.db2.gz YHMZEOSGNRJCFD-VOBJUBJWSA-N 1 0 213.321 1.569 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2nc(C3CC3)ns2)C1 ZINC000715131543 712513686 /nfs/dbraw/zinc/51/36/86/712513686.db2.gz GPVKEKBYNYUHNT-FKQCQYRASA-N 1 0 224.333 1.565 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)[C@H]1CCCCO1 ZINC000715920824 712542424 /nfs/dbraw/zinc/54/24/24/712542424.db2.gz JMEYXGLQCTWWBM-HOSYDEDBSA-N 1 0 238.335 1.423 10 0 BDAERO CSC1(C[NH2+]C2CC(C(N)=O)C2)CCC1 ZINC000716747172 712571940 /nfs/dbraw/zinc/57/19/40/712571940.db2.gz WINDIQFRGGLTRI-UHFFFAOYSA-N 1 0 228.361 1.126 10 0 BDAERO CC(C)C1CC([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716740754 712571987 /nfs/dbraw/zinc/57/19/87/712571987.db2.gz LTWRMZVXRFRWET-UHFFFAOYSA-N 1 0 210.321 1.275 10 0 BDAERO C[C@@H]1[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CCN1C ZINC000719603599 712815968 /nfs/dbraw/zinc/81/59/68/712815968.db2.gz UGBWZPLLHRZSNP-GMTAPVOTSA-N 1 0 214.353 1.076 10 0 BDAERO CC(C)(O)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000719709323 712823468 /nfs/dbraw/zinc/82/34/68/712823468.db2.gz ADQRVFNJJKYFJE-QJPTWQEYSA-N 1 0 227.348 1.383 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCc1ccns1 ZINC000719845802 712825655 /nfs/dbraw/zinc/82/56/55/712825655.db2.gz JTCRXHUDLNLNAJ-NSHDSACASA-N 1 0 240.372 1.923 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@H](C)C(C)(C)OC ZINC000720279512 712829765 /nfs/dbraw/zinc/82/97/65/712829765.db2.gz DPVBKIXNKMYWSL-SECBINFHSA-N 1 0 240.351 1.510 10 0 BDAERO COC(=O)c1ccc(N[C@@H]2C[NH2+]C[C@H]2C)nc1C ZINC000721870152 710688720 /nfs/dbraw/zinc/68/87/20/710688720.db2.gz HBCSATSBSBVUQI-LDYMZIIASA-N 1 0 249.314 1.196 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccns1 ZINC000722746751 710720852 /nfs/dbraw/zinc/72/08/52/710720852.db2.gz ZJSYRXCOBZDPHM-IUCAKERBSA-N 1 0 239.344 1.272 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1cnc2ccccc2n1 ZINC000723793906 710731635 /nfs/dbraw/zinc/73/16/35/710731635.db2.gz WDTKDWAUVOFIDM-MNOVXSKESA-N 1 0 242.326 1.897 10 0 BDAERO C[C@@H]1CN(c2cncc(Cl)n2)C[C@@]1(C)C[NH3+] ZINC000380700170 712902642 /nfs/dbraw/zinc/90/26/42/712902642.db2.gz KSOLMGWGNSHKPU-LDYMZIIASA-N 1 0 240.738 1.551 10 0 BDAERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])cc1 ZINC000380801311 710591362 /nfs/dbraw/zinc/59/13/62/710591362.db2.gz HKVNFNFVBLPDRM-KWQFWETISA-N 1 0 221.260 1.521 10 0 BDAERO CCc1cc(CC)nc(N(C)C[C@@H](C)[NH3+])n1 ZINC000380841560 710592105 /nfs/dbraw/zinc/59/21/05/710592105.db2.gz UNUGPPHGUXFDID-SECBINFHSA-N 1 0 222.336 1.385 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccnc2ncccc12 ZINC000721905386 710690636 /nfs/dbraw/zinc/69/06/36/710690636.db2.gz VAHUGTBJQQFEON-BXKDBHETSA-N 1 0 228.299 1.650 10 0 BDAERO CCc1nsc(N2C3CCC2(C[NH3+])CC3)n1 ZINC000722985644 710723089 /nfs/dbraw/zinc/72/30/89/710723089.db2.gz FPAWNBDAGOVYDR-UHFFFAOYSA-N 1 0 238.360 1.561 10 0 BDAERO CC(C)[C@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000307401144 711479232 /nfs/dbraw/zinc/47/92/32/711479232.db2.gz IXBXWOXPNYFLIH-NSHDSACASA-N 1 0 213.321 1.870 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723573533 711519132 /nfs/dbraw/zinc/51/91/32/711519132.db2.gz JAFYIZHRBHDZPS-SRVKXCTJSA-N 1 0 236.359 1.966 10 0 BDAERO Cc1cc(C)nc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000723660699 711532684 /nfs/dbraw/zinc/53/26/84/711532684.db2.gz SKZHNSHLYLDDQB-AAEUAGOBSA-N 1 0 247.342 1.455 10 0 BDAERO Cc1noc2ncnc(N3CC[C@H](CC[NH3+])C3)c12 ZINC000723672001 711533412 /nfs/dbraw/zinc/53/34/12/711533412.db2.gz IHYVVNRGIYLQMG-VIFPVBQESA-N 1 0 247.302 1.101 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1nccc2cccnc21 ZINC000723786158 711537426 /nfs/dbraw/zinc/53/74/26/711537426.db2.gz PLTFBHWCFAKISD-PWSUYJOCSA-N 1 0 242.326 1.897 10 0 BDAERO C[C@@H]1CN(c2ncncc2Cl)C[C@H]1CC[NH3+] ZINC000723893259 711543763 /nfs/dbraw/zinc/54/37/63/711543763.db2.gz XKMCZFKEQGJXOI-RKDXNWHRSA-N 1 0 240.738 1.551 10 0 BDAERO CC(C)(C)c1coc(C[NH2+]CC2CC(O)C2)n1 ZINC000724387440 711577644 /nfs/dbraw/zinc/57/76/44/711577644.db2.gz JPMCMLGTTNHCFZ-UHFFFAOYSA-N 1 0 238.331 1.833 10 0 BDAERO COC[C@H](C[NH2+]CC(C)(C)O)C(C)C ZINC000721933983 711694563 /nfs/dbraw/zinc/69/45/63/711694563.db2.gz XOSHRCCITYDKLV-JTQLQIEISA-N 1 0 203.326 1.266 10 0 BDAERO Cc1c(C[NH2+]CCOC2CCC2)cnn1C ZINC000309907025 711698334 /nfs/dbraw/zinc/69/83/34/711698334.db2.gz KWOIHEBKTVXBQQ-UHFFFAOYSA-N 1 0 223.320 1.387 10 0 BDAERO OC[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CC1 ZINC000309563749 711699473 /nfs/dbraw/zinc/69/94/73/711699473.db2.gz KEVOYHOFBHQFCW-GXTWGEPZSA-N 1 0 217.312 1.687 10 0 BDAERO [NH3+]CCn1cc(-c2cccc3c2OCCO3)cn1 ZINC000313341042 711718614 /nfs/dbraw/zinc/71/86/14/711718614.db2.gz QNFQRHBHRXHLCZ-UHFFFAOYSA-N 1 0 245.282 1.280 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000334867661 711719026 /nfs/dbraw/zinc/71/90/26/711719026.db2.gz HEMTVZNMACDFDW-ZYHUDNBSSA-N 1 0 234.347 1.471 10 0 BDAERO Cc1nccc(N2CCC[C@]23CC[NH2+]C3)n1 ZINC000257680212 711726327 /nfs/dbraw/zinc/72/63/27/711726327.db2.gz GVLAAHBRVSSMDQ-GFCCVEGCSA-N 1 0 218.304 1.117 10 0 BDAERO FC(F)(F)[C@@H]1CC[C@@H](CN[C@H]2CC[NH2+]C2)O1 ZINC000722387908 711753065 /nfs/dbraw/zinc/75/30/65/711753065.db2.gz ALWRZFJJRVBIBG-CIUDSAMLSA-N 1 0 238.253 1.048 10 0 BDAERO CO[C@H](c1noc([C@H]2CC[C@H]([NH3+])C2)n1)C1CC1 ZINC000253177888 711764425 /nfs/dbraw/zinc/76/44/25/711764425.db2.gz QXGSHRGOPJRBNK-GUBZILKMSA-N 1 0 237.303 1.762 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2CCCCO2)n1 ZINC000054158494 711766216 /nfs/dbraw/zinc/76/62/16/711766216.db2.gz AGRUNWZZENPTHC-SFYZADRCSA-N 1 0 211.265 1.373 10 0 BDAERO CCOC1CC2(C[C@@H]2[NH2+]CC(C)(C)O)C1 ZINC000721265000 711805404 /nfs/dbraw/zinc/80/54/04/711805404.db2.gz VVPGXRBJVZZDQD-YZRBJQDESA-N 1 0 213.321 1.305 10 0 BDAERO CCc1nc(C)cc(N(C)C[C@H](C)[NH3+])n1 ZINC000379780018 711810024 /nfs/dbraw/zinc/81/00/24/711810024.db2.gz KNGNGDYZNJGHBF-QMMMGPOBSA-N 1 0 208.309 1.131 10 0 BDAERO CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)C1 ZINC000721900760 711812857 /nfs/dbraw/zinc/81/28/57/711812857.db2.gz FNPMXYRXDUTGAX-QSLWVIQJSA-N 1 0 239.359 1.504 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000349336699 711825487 /nfs/dbraw/zinc/82/54/87/711825487.db2.gz XKNROZUDQHBSNU-VHSXEESVSA-N 1 0 246.314 1.331 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1C ZINC000227823646 711833119 /nfs/dbraw/zinc/83/31/19/711833119.db2.gz BQVSOQZQGBTYKU-GXSJLCMTSA-N 1 0 239.340 1.989 10 0 BDAERO C[S@@](=O)CC[NH2+]CCc1ccccc1 ZINC000229104966 711837747 /nfs/dbraw/zinc/83/77/47/711837747.db2.gz UTMJTGOCMQZLLZ-CQSZACIVSA-N 1 0 211.330 1.197 10 0 BDAERO CC[C@H](CO)[NH2+][C@H](CO)c1ccccc1 ZINC000238310192 711888996 /nfs/dbraw/zinc/88/89/96/711888996.db2.gz ZWQMUVXXHMLBEM-VXGBXAGGSA-N 1 0 209.289 1.081 10 0 BDAERO c1ccc(N2CCC[C@@H]3[NH2+]CC[C@H]32)nc1 ZINC000250239594 711927921 /nfs/dbraw/zinc/92/79/21/711927921.db2.gz HWHWVSCHTIJKBA-WDEREUQCSA-N 1 0 203.289 1.412 10 0 BDAERO CCCc1nsc(N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC000721936275 711940614 /nfs/dbraw/zinc/94/06/14/711940614.db2.gz YVUCGXNZSHZFAC-MRVPVSSYSA-N 1 0 240.376 1.901 10 0 BDAERO CC1(C)C[NH2+]C[C@@H]1Nc1ncncc1Cl ZINC000721939297 711942967 /nfs/dbraw/zinc/94/29/67/711942967.db2.gz KXDWDFAIKBRWNO-QMMMGPOBSA-N 1 0 226.711 1.540 10 0 BDAERO CO[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000700487459 711994699 /nfs/dbraw/zinc/99/46/99/711994699.db2.gz UJEAVMLBWDIJML-NXEZZACHSA-N 1 0 237.303 1.148 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H](C)[C@H]2CCCO2)n1 ZINC000700459411 711995978 /nfs/dbraw/zinc/99/59/78/711995978.db2.gz PCQZVWRAPNRAKM-VHSXEESVSA-N 1 0 237.303 1.148 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc(Cl)nc2)C[C@H]1[NH3+] ZINC000700612645 712001764 /nfs/dbraw/zinc/00/17/64/712001764.db2.gz SPWMCCOXWGQXLO-VXNVDRBHSA-N 1 0 239.706 1.154 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)/C=C/c1ccccc1F ZINC000700750825 712004498 /nfs/dbraw/zinc/00/44/98/712004498.db2.gz XWEVFYFFSXXOMH-VQCYPWCPSA-N 1 0 236.290 1.692 10 0 BDAERO CC(C)c1cnc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000700758735 712004557 /nfs/dbraw/zinc/00/45/57/712004557.db2.gz CCEZRRRXRNWTOF-QJPTWQEYSA-N 1 0 249.358 1.967 10 0 BDAERO Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)o1 ZINC000700846470 712008398 /nfs/dbraw/zinc/00/83/98/712008398.db2.gz XNVVYPORFAPKMN-SRVKXCTJSA-N 1 0 236.315 1.576 10 0 BDAERO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000702129761 712039959 /nfs/dbraw/zinc/03/99/59/712039959.db2.gz WVNSJMWYCSTWCB-XJBAAKRRSA-N 1 0 234.343 1.100 10 0 BDAERO CCCc1noc([C@]2(C)C[C@@H](OC)C[NH2+]2)n1 ZINC000702730453 712060751 /nfs/dbraw/zinc/06/07/51/712060751.db2.gz DCEXUFRKXIFFOI-KCJUWKMLSA-N 1 0 225.292 1.246 10 0 BDAERO [NH3+]C1CC(CNc2ncnc3[nH]ccc32)C1 ZINC000705224797 712124912 /nfs/dbraw/zinc/12/49/12/712124912.db2.gz GTQBFJLLOGDCMW-UHFFFAOYSA-N 1 0 217.276 1.107 10 0 BDAERO Cc1cocc1C(=O)NCC1CC([NH3+])C1 ZINC000705258156 712127180 /nfs/dbraw/zinc/12/71/80/712127180.db2.gz JZVBRFCPCJWJFB-UHFFFAOYSA-N 1 0 208.261 1.055 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000705669958 712135190 /nfs/dbraw/zinc/13/51/90/712135190.db2.gz MXFNYIXEAQFTPJ-MJBXVCDLSA-N 1 0 240.391 1.421 10 0 BDAERO CN1C[C@@]2(C)C[NH+]([C@@H]3CCC[C@H]3O)C[C@]2(C)C1 ZINC000705672642 712135315 /nfs/dbraw/zinc/13/53/15/712135315.db2.gz UKXZTOHFZAZIEP-MQYQWHSLSA-N 1 0 238.375 1.173 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccnc(Cl)c2)C[C@H]1[NH3+] ZINC000706052834 712139514 /nfs/dbraw/zinc/13/95/14/712139514.db2.gz JDPLOSJPBIETFD-VXNVDRBHSA-N 1 0 239.706 1.154 10 0 BDAERO CC(C)CC1(NC(=O)C2CC([NH3+])C2)CC1 ZINC000706152161 712140918 /nfs/dbraw/zinc/14/09/18/712140918.db2.gz QUTWQFUFPFPITF-UHFFFAOYSA-N 1 0 210.321 1.419 10 0 BDAERO [NH3+]Cc1cc(-c2cn3c(n2)COCC3)ccc1F ZINC000706185303 712141980 /nfs/dbraw/zinc/14/19/80/712141980.db2.gz TVXZYQXDSOLXBD-UHFFFAOYSA-N 1 0 247.273 1.678 10 0 BDAERO CSC1CC([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC000706856574 712157138 /nfs/dbraw/zinc/15/71/38/712157138.db2.gz KBFHFTUYFWPWCB-BZCXBAJXSA-N 1 0 215.362 1.774 10 0 BDAERO CSC1CC([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000706859885 712157339 /nfs/dbraw/zinc/15/73/39/712157339.db2.gz RODWHBMFGIZGEE-NFTFJBJSSA-N 1 0 201.335 1.647 10 0 BDAERO COC(=O)/C(C)=C/C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000706963685 712160792 /nfs/dbraw/zinc/16/07/92/712160792.db2.gz USGPYQIRPBWFKC-MXJKNTAJSA-N 1 0 209.289 1.590 10 0 BDAERO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000707767378 712177762 /nfs/dbraw/zinc/17/77/62/712177762.db2.gz JJJYJZFVHGXXCK-GYGFLDJKSA-N 1 0 239.315 1.407 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C1CC(SC)C1 ZINC000708289076 712185827 /nfs/dbraw/zinc/18/58/27/712185827.db2.gz IXQONHZOWLAPMX-MOENNCHZSA-N 1 0 247.404 1.648 10 0 BDAERO CC/C=C(\C)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708828100 712200002 /nfs/dbraw/zinc/20/00/02/712200002.db2.gz LHBUQRAVVLNUTF-WJHWTWHCSA-N 1 0 210.321 1.396 10 0 BDAERO C[C@@H]1CN(Cc2ccc(Cl)nc2)C[C@@H]1C[NH3+] ZINC000708894598 712202760 /nfs/dbraw/zinc/20/27/60/712202760.db2.gz YJDUCVNCKDMTSX-KOLCDFICSA-N 1 0 239.750 1.762 10 0 BDAERO CO[C@H]1CN(Cc2cscn2)[C@](C)(C[NH3+])C1 ZINC000708920738 712203088 /nfs/dbraw/zinc/20/30/88/712203088.db2.gz LWESMCCGWUXKSZ-MNOVXSKESA-N 1 0 241.360 1.081 10 0 BDAERO Cc1ccnc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000709028122 712205702 /nfs/dbraw/zinc/20/57/02/712205702.db2.gz RJKLDNBSXJKGMB-LLVKDONJSA-N 1 0 220.320 1.493 10 0 BDAERO C[C@@H]1C[N@H+](CCC(=O)C(C)(C)C)C[C@H]1CO ZINC000709261362 712218609 /nfs/dbraw/zinc/21/86/09/712218609.db2.gz JJFDDFKQENBYTB-MNOVXSKESA-N 1 0 227.348 1.552 10 0 BDAERO C[C@@H](C(N)=O)[N@H+](C)CC1CCC2(CC2)CC1 ZINC000709961456 712235115 /nfs/dbraw/zinc/23/51/15/712235115.db2.gz BUSXHWKCVOOGKC-JTQLQIEISA-N 1 0 224.348 1.762 10 0 BDAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cn(C)cn1 ZINC000710010391 712239837 /nfs/dbraw/zinc/23/98/37/712239837.db2.gz AZGBTHWMTUCVCL-JBLDHEPKSA-N 1 0 223.320 1.638 10 0 BDAERO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2cn(C)cn2)C1 ZINC000710030720 712242038 /nfs/dbraw/zinc/24/20/38/712242038.db2.gz BJYHOECRIGQUJD-RYUDHWBXSA-N 1 0 236.363 1.555 10 0 BDAERO CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000710061899 712244389 /nfs/dbraw/zinc/24/43/89/712244389.db2.gz NMTOEGYQQRPUIE-CMPLNLGQSA-N 1 0 246.310 1.234 10 0 BDAERO C[C@@H](C[NH3+])c1noc(C23CCC(CC2)C3)n1 ZINC000711048225 712276704 /nfs/dbraw/zinc/27/67/04/712276704.db2.gz ZENZUCYWHCWGKZ-QTZUAFFRSA-N 1 0 221.304 1.964 10 0 BDAERO CCOC(=O)c1ncc(C[NH2+][C@H]2C[C@H]2C)s1 ZINC000711404480 712298015 /nfs/dbraw/zinc/29/80/15/712298015.db2.gz ICHXIBKAPZXQQK-APPZFPTMSA-N 1 0 240.328 1.818 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711555711 712309149 /nfs/dbraw/zinc/30/91/49/712309149.db2.gz FDIUANNXLVBMAO-AXFHLTTASA-N 1 0 215.362 1.442 10 0 BDAERO C[C@@H]([NH2+]Cc1nccn1C1CC1)[C@H]1CCCO1 ZINC000711747732 712323770 /nfs/dbraw/zinc/32/37/70/712323770.db2.gz AOSZAAAMNYYSRM-ZYHUDNBSSA-N 1 0 235.331 1.875 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@H]1C[C@H]1C ZINC000711774978 712328381 /nfs/dbraw/zinc/32/83/81/712328381.db2.gz XUFXHQPQVPWXDA-WTPMCQDGSA-N 1 0 245.388 1.444 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nccn3C3CC3)C[C@@H]12 ZINC000711804090 712331649 /nfs/dbraw/zinc/33/16/49/712331649.db2.gz HUMYXPMPVCTKGI-RAIGVLPGSA-N 1 0 246.358 1.387 10 0 BDAERO O=C(C[C@@H]1C[C@H]1C1CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000711964174 712339181 /nfs/dbraw/zinc/33/91/81/712339181.db2.gz QDHYLIRKBDTDOI-MWWBDVBNSA-N 1 0 248.370 1.822 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1CC1CCCCC1 ZINC000378804925 712362582 /nfs/dbraw/zinc/36/25/82/712362582.db2.gz WJCUJRBIMTXUBT-RYUDHWBXSA-N 1 0 214.328 1.938 10 0 BDAERO CC(C)C1([NH2+]CC[C@@H]2CCOC2=O)CC1 ZINC000378864778 712364592 /nfs/dbraw/zinc/36/45/92/712364592.db2.gz YBOZZJHOBRQVSH-SNVBAGLBSA-N 1 0 211.305 1.718 10 0 BDAERO C[C@@]1(C[NH3+])CCN(c2cncc(Cl)n2)C1 ZINC000379772217 712398437 /nfs/dbraw/zinc/39/84/37/712398437.db2.gz AXEFBZZUHMLOGZ-JTQLQIEISA-N 1 0 226.711 1.305 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712402267 712429363 /nfs/dbraw/zinc/42/93/63/712429363.db2.gz SZIFGMZFFMOMHJ-HTRCEHHLSA-N 1 0 244.136 1.681 10 0 BDAERO CCCc1nccnc1NC[C@H]1CC[N@@H+]1C ZINC000712591595 712435220 /nfs/dbraw/zinc/43/52/20/712435220.db2.gz KCCWKGSNTMLOLV-SNVBAGLBSA-N 1 0 220.320 1.545 10 0 BDAERO CC1CC(C(=O)N2CC[NH2+]CCC2(C)C)C1 ZINC000712529585 712441307 /nfs/dbraw/zinc/44/13/07/712441307.db2.gz WGIIHTOAJULZQF-UHFFFAOYSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@@H]([NH2+]CCn1cnnn1)c1cccs1 ZINC000712561763 712445750 /nfs/dbraw/zinc/44/57/50/712445750.db2.gz FBVLSXOQYYJDTP-MRVPVSSYSA-N 1 0 223.305 1.085 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713244221 712456114 /nfs/dbraw/zinc/45/61/14/712456114.db2.gz 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/nfs/dbraw/zinc/47/24/11/712472411.db2.gz WLSIALRFWQSSNG-YPMHNXCESA-N 1 0 248.326 1.322 10 0 BDAERO CC[C@@H]1CCCCN1C(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713822497 712472908 /nfs/dbraw/zinc/47/29/08/712472908.db2.gz PLFPHKJDBOVHIH-TUAOUCFPSA-N 1 0 240.347 1.141 10 0 BDAERO COCC1CC([NH2+]C[C@H](O)COCC(C)C)C1 ZINC000713915342 712472950 /nfs/dbraw/zinc/47/29/50/712472950.db2.gz FISFGNBBLNZMDB-BPCQOVAHSA-N 1 0 245.363 1.035 10 0 BDAERO CC[C@H]1C[C@H]([NH2+]C2CC(COC)C2)CCO1 ZINC000713926378 712473283 /nfs/dbraw/zinc/47/32/83/712473283.db2.gz GDCHWEVSYIHGAQ-KPFVRQRISA-N 1 0 227.348 1.959 10 0 BDAERO [NH3+]C[C@H]1C[C@@H](C(=O)NCC2CCCCC2)CO1 ZINC000713928900 712473913 /nfs/dbraw/zinc/47/39/13/712473913.db2.gz NVOURINIZGZQPN-VXGBXAGGSA-N 1 0 240.347 1.047 10 0 BDAERO COCC1CC([NH2+][C@@H](C)C[C@@H]2CCOC2)C1 ZINC000713981614 712475973 /nfs/dbraw/zinc/47/59/73/712475973.db2.gz CRUUTCZYAJJNEL-ZSVAQUKISA-N 1 0 227.348 1.816 10 0 BDAERO COC[C@H](C)C[NH2+]C1CC(COC)C1 ZINC000713983400 712476127 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NC(=O)C1CC([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000716685916 712569889 /nfs/dbraw/zinc/56/98/89/712569889.db2.gz WQHGXGZXIYFVNU-SXVYVOEYSA-N 1 0 222.332 1.419 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000716714519 712570674 /nfs/dbraw/zinc/57/06/74/712570674.db2.gz BCHKQFLXOQVSBH-UHFFFAOYSA-N 1 0 243.310 1.521 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000716717736 712570761 /nfs/dbraw/zinc/57/07/61/712570761.db2.gz SHCFSIPAJPLRNJ-IFWUJCSASA-N 1 0 236.359 1.809 10 0 BDAERO CCOC1CCC([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716722420 712570826 /nfs/dbraw/zinc/57/08/26/712570826.db2.gz JQYNHVKHNBAOPD-UHFFFAOYSA-N 1 0 240.347 1.188 10 0 BDAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CC1(C)C ZINC000716715558 712570857 /nfs/dbraw/zinc/57/08/57/712570857.db2.gz IBUHIFLIXXVVLK-JPPWEJMLSA-N 1 0 224.348 1.665 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000716729836 712571045 /nfs/dbraw/zinc/57/10/45/712571045.db2.gz BZGYQARSOUFMLK-CCNJGILJSA-N 1 0 208.305 1.029 10 0 BDAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC(C(N)=O)C2)o1 ZINC000716732471 712571424 /nfs/dbraw/zinc/57/14/24/712571424.db2.gz UIIAIEKEUWWEEN-QARRAHMOSA-N 1 0 248.326 1.757 10 0 BDAERO NC(=O)C1CC([NH2+]CC2CCCCC2)C1 ZINC000716739073 712571532 /nfs/dbraw/zinc/57/15/32/712571532.db2.gz AZNKRYPMORGJEO-UHFFFAOYSA-N 1 0 210.321 1.420 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000716754276 712572515 /nfs/dbraw/zinc/57/25/15/712572515.db2.gz GWVDMKZRIIXUQB-UHFFFAOYSA-N 1 0 222.263 1.179 10 0 BDAERO C[C@@H]1CCC[C@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000716760806 712572813 /nfs/dbraw/zinc/57/28/13/712572813.db2.gz OYYUKADZDKUXLG-QKEWWQLBSA-N 1 0 224.348 1.666 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(F)cc1 ZINC000716782309 712573117 /nfs/dbraw/zinc/57/31/17/712573117.db2.gz AZGMWIIKNUBZAC-DUACVJHASA-N 1 0 236.290 1.740 10 0 BDAERO Cc1cc(C[NH2+]C2CC(C(N)=O)C2)ccc1F ZINC000716782347 712573300 /nfs/dbraw/zinc/57/33/00/712573300.db2.gz BLKAOELATPLBKI-UHFFFAOYSA-N 1 0 236.290 1.488 10 0 BDAERO Cc1cccc(C[NH2+]C2CC(C(N)=O)C2)c1C ZINC000716774607 712573344 /nfs/dbraw/zinc/57/33/44/712573344.db2.gz HPDKSWVBSRQCRG-UHFFFAOYSA-N 1 0 232.327 1.657 10 0 BDAERO C[C@H](C[NH3+])CNc1nccc2cccnc21 ZINC000716914405 712582039 /nfs/dbraw/zinc/58/20/39/712582039.db2.gz GZTAJBKKEDJJKX-SECBINFHSA-N 1 0 216.288 1.637 10 0 BDAERO [NH3+]CCCOCCNc1nccc2cccnc21 ZINC000716921944 712596149 /nfs/dbraw/zinc/59/61/49/712596149.db2.gz KSCUKXONSZVOAD-UHFFFAOYSA-N 1 0 246.314 1.407 10 0 BDAERO CN(CCOCC[NH3+])c1nccc2cccnc21 ZINC000716923725 712596223 /nfs/dbraw/zinc/59/62/23/712596223.db2.gz UTUDNXIQRJSTIP-UHFFFAOYSA-N 1 0 246.314 1.041 10 0 BDAERO CCCCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000379957609 712636497 /nfs/dbraw/zinc/63/64/97/712636497.db2.gz VWVPJPFVSMKXGU-MNOVXSKESA-N 1 0 212.337 1.823 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(-c2ccc(O)cc2)no1 ZINC000037452686 712638972 /nfs/dbraw/zinc/63/89/72/712638972.db2.gz ZPJKBYQNBSOEHT-SSDOTTSWSA-N 1 0 219.244 1.332 10 0 BDAERO Cc1coc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000718526492 712770607 /nfs/dbraw/zinc/77/06/07/712770607.db2.gz ARBSOVQFOKESPT-UWVGGRQHSA-N 1 0 222.288 1.255 10 0 BDAERO CO[C@@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)CC1 ZINC000718804268 712783677 /nfs/dbraw/zinc/78/36/77/712783677.db2.gz ZJWAMBZEXGPWBP-POOIEITISA-N 1 0 227.348 1.695 10 0 BDAERO [NH3+]C1(CNc2ccnc3ncccc23)CCC1 ZINC000718931264 712788489 /nfs/dbraw/zinc/78/84/89/712788489.db2.gz YKONLAAACUNRQA-UHFFFAOYSA-N 1 0 228.299 1.923 10 0 BDAERO C[C@]1(C[NH3+])CCN(c2ccnc3ncccc23)C1 ZINC000718928170 712789718 /nfs/dbraw/zinc/78/97/18/712789718.db2.gz BHEOLHXHQGJNRL-CQSZACIVSA-N 1 0 242.326 1.805 10 0 BDAERO [NH3+]C1CCN(c2ccnc3ncccc32)CC1 ZINC000718981928 712790800 /nfs/dbraw/zinc/79/08/00/712790800.db2.gz OULRELHBQPJDCF-UHFFFAOYSA-N 1 0 228.299 1.557 10 0 BDAERO C[C@H]1CN(c2ccnc3ncccc23)CC[C@@H]1[NH3+] ZINC000718981725 712790820 /nfs/dbraw/zinc/79/08/20/712790820.db2.gz LGXRANWVHXVGGW-JQWIXIFHSA-N 1 0 242.326 1.803 10 0 BDAERO C[C@@H]([NH3+])CNc1ccnc2ncccc12 ZINC000718985465 712791593 /nfs/dbraw/zinc/79/15/93/712791593.db2.gz IXBUAFKKFGLFBY-MRVPVSSYSA-N 1 0 202.261 1.389 10 0 BDAERO CC(C)(O)[C@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000719662211 712818302 /nfs/dbraw/zinc/81/83/02/712818302.db2.gz SGQJYDOKEULMGP-NSHDSACASA-N 1 0 227.348 1.384 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCc1ccns1 ZINC000719859105 712824722 /nfs/dbraw/zinc/82/47/22/712824722.db2.gz BEVJZZIEXYAUBU-ONGXEEELSA-N 1 0 226.345 1.531 10 0 BDAERO C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000720506752 712847956 /nfs/dbraw/zinc/84/79/56/712847956.db2.gz QIPJRMQMXLBTDA-IUCAKERBSA-N 1 0 246.301 1.475 10 0 BDAERO CSC(C)(C)CC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720591542 712856053 /nfs/dbraw/zinc/85/60/53/712856053.db2.gz ORGCUVPTZAURRT-VIFPVBQESA-N 1 0 242.392 1.997 10 0 BDAERO Cc1cc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)c(C)nn1 ZINC000720600032 712856312 /nfs/dbraw/zinc/85/63/12/712856312.db2.gz LOUBLQXFWJYQMF-WCQYABFASA-N 1 0 235.331 1.439 10 0 BDAERO CC[C@H]([NH2+][C@H](C)c1cn(C)nn1)[C@H]1C[C@@H]1C ZINC000720603702 712857722 /nfs/dbraw/zinc/85/77/22/712857722.db2.gz UYQPPYRWAXQQST-VLEAKVRGSA-N 1 0 222.336 1.900 10 0 BDAERO CCc1cc(N[C@@H](C)c2cn(C)nn2)cc[nH+]1 ZINC000720616247 712859095 /nfs/dbraw/zinc/85/90/95/712859095.db2.gz WVMBNKDFUAMZGU-VIFPVBQESA-N 1 0 231.303 1.368 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2C[C@H]2CO)cc(Cl)n1 ZINC000380300902 712864066 /nfs/dbraw/zinc/86/40/66/712864066.db2.gz DPQJVRFUEACRQJ-VHSXEESVSA-N 1 0 226.707 1.514 10 0 BDAERO CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000396472598 968227672 /nfs/dbraw/zinc/22/76/72/968227672.db2.gz CGTLDKLTKXBQRX-ONGXEEELSA-N 1 0 228.336 1.170 10 0 BDAERO C[NH+]1CCC(C[NH2+]C(C)(C)CC(=O)[O-])CC1 ZINC000694003899 976662085 /nfs/dbraw/zinc/66/20/85/976662085.db2.gz IOHKOLDRPUNGED-UHFFFAOYSA-N 1 0 228.336 1.171 10 0 BDAERO CC[NH2+]CC[C@H](CO)[C@H]1CCCOC1 ZINC000685963747 538910402 /nfs/dbraw/zinc/91/04/02/538910402.db2.gz WQZFYUSKBHJDDL-MNOVXSKESA-N 1 0 201.310 1.021 10 0 BDAERO CCCS(=O)(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000685954129 538899290 /nfs/dbraw/zinc/89/92/90/538899290.db2.gz LIKXDRSXLHVKGI-UWVGGRQHSA-N 1 0 219.350 1.329 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CC[C@@H](C)C[C@@H]1[NH3+] ZINC000685954597 538899326 /nfs/dbraw/zinc/89/93/26/538899326.db2.gz OPONBNKGUQUCOA-UTLUCORTSA-N 1 0 219.350 1.326 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H]([NH2+]CC)C[C@H]1C ZINC000685954502 538899495 /nfs/dbraw/zinc/89/94/95/538899495.db2.gz NQQJXFJMQHKNAV-IJLUTSLNSA-N 1 0 247.404 1.978 10 0 BDAERO CC(C)[C@@H]1CC[C@H](S(=O)(=O)C(C)C)[C@@H]([NH3+])C1 ZINC000685954902 538899683 /nfs/dbraw/zinc/89/96/83/538899683.db2.gz QEXIKFTZQUAOKB-WOPDTQHZSA-N 1 0 247.404 1.962 10 0 BDAERO CC(C)[C@@H]1CC[C@@H](S(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000685955340 538900754 /nfs/dbraw/zinc/90/07/54/538900754.db2.gz XVOIAEGMDFVTFO-OUAUKWLOSA-N 1 0 233.377 1.431 10 0 BDAERO [NH3+]CC(F)(F)COCc1cccs1 ZINC000685955593 538901400 /nfs/dbraw/zinc/90/14/00/538901400.db2.gz KIPVBPZZQILINL-UHFFFAOYSA-N 1 0 207.245 1.859 10 0 BDAERO [NH3+]CC(F)(F)COCCc1cccs1 ZINC000685956230 538902432 /nfs/dbraw/zinc/90/24/32/538902432.db2.gz OJWWRFVSZXWMPF-UHFFFAOYSA-N 1 0 221.272 1.901 10 0 BDAERO CCCc1cnn(CC(F)(F)C[NH3+])c1 ZINC000685956261 538902463 /nfs/dbraw/zinc/90/24/63/538902463.db2.gz BEHVGZASQQNWDT-UHFFFAOYSA-N 1 0 203.236 1.430 10 0 BDAERO CC(C)COCCOCC(F)(F)C[NH3+] ZINC000685956396 538902725 /nfs/dbraw/zinc/90/27/25/538902725.db2.gz TWJBRJXORIHEAB-UHFFFAOYSA-N 1 0 211.252 1.270 10 0 BDAERO CCCNCC(F)(F)CN1CC[C@H]1C ZINC000685957619 538904907 /nfs/dbraw/zinc/90/49/07/538904907.db2.gz VHMKCLSYURCRNI-SECBINFHSA-N 1 0 206.280 1.716 10 0 BDAERO CC(C)C[NH2+]CC[C@H](CO)C1CCOCC1 ZINC000685963606 538910520 /nfs/dbraw/zinc/91/05/20/538910520.db2.gz UBGGCHLMXQBUEW-CYBMUJFWSA-N 1 0 229.364 1.657 10 0 BDAERO CC(C)OCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960326 538907468 /nfs/dbraw/zinc/90/74/68/538907468.db2.gz FMEQSUYWODJAGJ-UHFFFAOYSA-N 1 0 221.300 1.770 10 0 BDAERO CCOCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960427 538907677 /nfs/dbraw/zinc/90/76/77/538907677.db2.gz LFHVEDIOBGETJO-UHFFFAOYSA-N 1 0 207.273 1.382 10 0 BDAERO CC(C)[NH2+]CC[C@@H](CO)[C@H]1CCOC1 ZINC000685960859 538907838 /nfs/dbraw/zinc/90/78/38/538907838.db2.gz FTWGLJQTCOIHJO-QWRGUYRKSA-N 1 0 201.310 1.020 10 0 BDAERO COCC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685962205 538908966 /nfs/dbraw/zinc/90/89/66/538908966.db2.gz YAYGSNMUUFGCOT-GXFFZTMASA-N 1 0 237.299 1.135 10 0 BDAERO CC(C)(C)[NH2+]CC[C@H](CO)[C@H]1CCOC1 ZINC000685963158 538910000 /nfs/dbraw/zinc/91/00/00/538910000.db2.gz HUPKGCIPEWHZRU-MNOVXSKESA-N 1 0 215.337 1.410 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@@H](CO)[C@H]1CCCOC1 ZINC000685963515 538910144 /nfs/dbraw/zinc/91/01/44/538910144.db2.gz RAFOJKPUYBZABV-AVGNSLFASA-N 1 0 229.364 1.800 10 0 BDAERO CC(C)C[NH2+]CC[C@H](CO)[C@H]1CCCOC1 ZINC000685963053 538910181 /nfs/dbraw/zinc/91/01/81/538910181.db2.gz FVIBATJNBLWUJA-OLZOCXBDSA-N 1 0 229.364 1.657 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@@H]1CCCOC1 ZINC000685963518 538910186 /nfs/dbraw/zinc/91/01/86/538910186.db2.gz RAFOJKPUYBZABV-YNEHKIRRSA-N 1 0 229.364 1.800 10 0 BDAERO C[C@H]1CCc2[nH]nc(C3=CC[NH2+]CC3)c2C1 ZINC000685952349 538896573 /nfs/dbraw/zinc/89/65/73/538896573.db2.gz GZZSLGNJJSCDBN-VIFPVBQESA-N 1 0 217.316 1.911 10 0 BDAERO Cc1cc(C)nc(N(C)C[C@@H]2CCCC[NH2+]2)n1 ZINC000095070776 177936521 /nfs/dbraw/zinc/93/65/21/177936521.db2.gz YMGGDVHJHOMCFF-LBPRGKRZSA-N 1 0 234.347 1.672 10 0 BDAERO COc1cccc(Cn2cnc(N)c2)c1 ZINC000685964177 538911234 /nfs/dbraw/zinc/91/12/34/538911234.db2.gz GHWUMMBPKSGORL-UHFFFAOYSA-N 1 0 203.245 1.522 10 0 BDAERO C=C(OCC)c1cc(C[NH2+]C(C)C)n(C)n1 ZINC000685965023 538911402 /nfs/dbraw/zinc/91/14/02/538911402.db2.gz LERFHNHTYBFKGF-UHFFFAOYSA-N 1 0 223.320 1.925 10 0 BDAERO C=C(OCC)c1cc(C[NH2+]C2CC2)n(C)n1 ZINC000685965441 538912032 /nfs/dbraw/zinc/91/20/32/538912032.db2.gz DPYSGLIFZGMNBF-UHFFFAOYSA-N 1 0 221.304 1.679 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000685965716 538912302 /nfs/dbraw/zinc/91/23/02/538912302.db2.gz PVSUGRKRGOEANZ-QWRGUYRKSA-N 1 0 210.708 1.744 10 0 BDAERO Cc1cc(CC[NH3+])nc(Cc2ccccc2)n1 ZINC000054833864 177962578 /nfs/dbraw/zinc/96/25/78/177962578.db2.gz JFZXKVUFRAYBGV-UHFFFAOYSA-N 1 0 227.311 1.877 10 0 BDAERO CCC(CC)(C[NH3+])[N@@H+]1CCCOCC1 ZINC000061916629 168323221 /nfs/dbraw/zinc/32/32/21/168323221.db2.gz SVKPHSWWKKVYHF-UHFFFAOYSA-N 1 0 200.326 1.226 10 0 BDAERO CCC(CC)(C[NH3+])N1CCOC[C@@H]1C ZINC000035774915 168323306 /nfs/dbraw/zinc/32/33/06/168323306.db2.gz YQGJVIJDCKRRTM-JTQLQIEISA-N 1 0 200.326 1.225 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCOC1 ZINC000052762526 136212108 /nfs/dbraw/zinc/21/21/08/136212108.db2.gz FIHJDHGZHIGQON-RYUDHWBXSA-N 1 0 213.321 1.260 10 0 BDAERO CCC(CC)(CO)C[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053249000 168326716 /nfs/dbraw/zinc/32/67/16/168326716.db2.gz PQODJWALQDSERD-CYBMUJFWSA-N 1 0 242.407 1.811 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cc3ccccc3cn2)C1 ZINC000616612054 349473690 /nfs/dbraw/zinc/47/36/90/349473690.db2.gz LALZZWXZBKGNJF-AWEZNQCLSA-N 1 0 241.338 1.983 10 0 BDAERO CC[C@](C)(C[NH3+])[C@H](O)c1nccs1 ZINC000161781483 538918649 /nfs/dbraw/zinc/91/86/49/538918649.db2.gz NELPCWOPCOUBNV-VXNVDRBHSA-N 1 0 200.307 1.552 10 0 BDAERO CCC[C@@H](C[NH3+])[C@H](O)c1nccs1 ZINC000161785247 538918746 /nfs/dbraw/zinc/91/87/46/538918746.db2.gz RGZRIUJYDLPBPL-YUMQZZPRSA-N 1 0 200.307 1.552 10 0 BDAERO CCC[C@@H](C[NH3+])[C@@H](O)c1nccs1 ZINC000161785501 538918894 /nfs/dbraw/zinc/91/88/94/538918894.db2.gz RGZRIUJYDLPBPL-JGVFFNPUSA-N 1 0 200.307 1.552 10 0 BDAERO CSCC[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000158817440 136214051 /nfs/dbraw/zinc/21/40/51/136214051.db2.gz AWLDKOTUPHTJIQ-OUAUKWLOSA-N 1 0 244.404 1.442 10 0 BDAERO CC(C)COC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000062571493 187323753 /nfs/dbraw/zinc/32/37/53/187323753.db2.gz FURZYKNURRTNAU-VHSXEESVSA-N 1 0 214.309 1.461 10 0 BDAERO CC(C)[C@@H]1C[NH2+]CCN1C[C@@H]1CCCO1 ZINC000062570620 187323828 /nfs/dbraw/zinc/32/38/28/187323828.db2.gz TZANCNHNADOYSP-RYUDHWBXSA-N 1 0 212.337 1.095 10 0 BDAERO CC(C)COC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000062571487 187323877 /nfs/dbraw/zinc/32/38/77/187323877.db2.gz FURZYKNURRTNAU-NXEZZACHSA-N 1 0 214.309 1.461 10 0 BDAERO CC(C)[C@H](C)N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062890911 187324039 /nfs/dbraw/zinc/32/40/39/187324039.db2.gz NLGPQNXBOFSOLN-CMPLNLGQSA-N 1 0 212.337 1.489 10 0 BDAERO CC(C)[C@@H]1CN[C@@H](c2ccccc2)C[NH2+]1 ZINC000062569179 187324170 /nfs/dbraw/zinc/32/41/70/187324170.db2.gz GSCBNCCBLVHBPB-QWHCGFSZSA-N 1 0 204.317 1.945 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CCSC1 ZINC000389952412 398151061 /nfs/dbraw/zinc/15/10/61/398151061.db2.gz SQJARNMUWZOZGC-ZJUUUORDSA-N 1 0 228.361 1.140 10 0 BDAERO CSCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000157499109 136213797 /nfs/dbraw/zinc/21/37/97/136213797.db2.gz JHXVJPCBHVCSSJ-SNVBAGLBSA-N 1 0 230.377 1.292 10 0 BDAERO Cc1cc(C[NH2+]C(C)(C)C)nc(N(C)C)n1 ZINC000054832106 178016326 /nfs/dbraw/zinc/01/63/26/178016326.db2.gz PLGYQILVIVZCMB-UHFFFAOYSA-N 1 0 222.336 1.739 10 0 BDAERO Cc1cc(C[NH2+]C2CCOCC2)c(C)n1C ZINC000052789870 178018112 /nfs/dbraw/zinc/01/81/12/178018112.db2.gz MVULIYWRQYJHKI-UHFFFAOYSA-N 1 0 222.332 1.911 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCCC(F)(F)F ZINC000063101000 349505915 /nfs/dbraw/zinc/50/59/15/349505915.db2.gz KSCDMRLOVWEBBY-MRVPVSSYSA-N 1 0 238.253 1.445 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1cnccn1 ZINC000390304463 398168327 /nfs/dbraw/zinc/16/83/27/398168327.db2.gz TYDWSACHKUXBMT-GXTWGEPZSA-N 1 0 246.358 1.188 10 0 BDAERO C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](O)C2)C[C@H](C)O1 ZINC000390343977 398170036 /nfs/dbraw/zinc/17/00/36/398170036.db2.gz NRDVDMUUPWLLJM-QNWHQSFQSA-N 1 0 227.348 1.647 10 0 BDAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cocn1 ZINC000276959868 398172089 /nfs/dbraw/zinc/17/20/89/398172089.db2.gz CZDQVOWTFOZHAC-ZYHUDNBSSA-N 1 0 224.304 1.825 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2O)no1 ZINC000044724808 178040711 /nfs/dbraw/zinc/04/07/11/178040711.db2.gz CATJESTXUAZGPC-WDEREUQCSA-N 1 0 210.277 1.376 10 0 BDAERO Cc1cc(C[C@@H](C)[NH3+])nc(-c2ccccn2)n1 ZINC000054835415 178053880 /nfs/dbraw/zinc/05/38/80/178053880.db2.gz CAKFDXAOFIQVPT-SECBINFHSA-N 1 0 228.299 1.737 10 0 BDAERO Cc1cc(C[C@H](C)[NH3+])nc(-c2ccccn2)n1 ZINC000054835418 178056968 /nfs/dbraw/zinc/05/69/68/178056968.db2.gz CAKFDXAOFIQVPT-VIFPVBQESA-N 1 0 228.299 1.737 10 0 BDAERO C[C@@H]1CN[C@](C)([C@H]2CCC[NH2+]2)SC1 ZINC000307397148 398160262 /nfs/dbraw/zinc/16/02/62/398160262.db2.gz URURUVSMAJMVIQ-BBBLOLIVSA-N 1 0 200.351 1.427 10 0 BDAERO CS(C)(=O)=NC[C@@H]1[NH2+]C[C@H]2CCC[C@@H]12 ZINC000307397207 398160272 /nfs/dbraw/zinc/16/02/72/398160272.db2.gz VAOCRLDYNHDIBZ-BBBLOLIVSA-N 1 0 216.350 1.102 10 0 BDAERO Cc1cc(Cn2ccnc2C)oc1C[NH3+] ZINC000052576126 178074087 /nfs/dbraw/zinc/07/40/87/178074087.db2.gz ALHTXUMGJXLMRK-UHFFFAOYSA-N 1 0 205.261 1.600 10 0 BDAERO Cc1cc(Cc2ccccc2)[nH]c(=O)c1C[NH3+] ZINC000083428701 178060156 /nfs/dbraw/zinc/06/01/56/178060156.db2.gz BVCFHRWQGDYCDO-UHFFFAOYSA-N 1 0 228.295 1.733 10 0 BDAERO C[C@H]([NH3+])CCNCc1ccc(F)cc1F ZINC000258722405 349514243 /nfs/dbraw/zinc/51/42/43/349514243.db2.gz JABQDEANECGDMW-QMMMGPOBSA-N 1 0 214.259 1.792 10 0 BDAERO Cc1cc(Cl)ccc1N1C[C@@H]([NH3+])CC1=O ZINC000035679821 178068129 /nfs/dbraw/zinc/06/81/29/178068129.db2.gz KYIWKEOEPKRSPP-VIFPVBQESA-N 1 0 224.691 1.712 10 0 BDAERO Cc1cc(Cl)nc(NC[C@H]2CC[NH2+]C2)n1 ZINC000095068938 178071811 /nfs/dbraw/zinc/07/18/11/178071811.db2.gz SEVZLFICZXGOCW-QMMMGPOBSA-N 1 0 226.711 1.460 10 0 BDAERO C[C@@H](C[NH3+])[S@@](=O)CCOCc1ccccc1 ZINC000307439550 398167028 /nfs/dbraw/zinc/16/70/28/398167028.db2.gz WWHLWZBGVFSMLD-ZBEGNZNMSA-N 1 0 241.356 1.299 10 0 BDAERO Cc1cc(F)c([C@@H]([NH3+])CO)c(F)c1F ZINC000072197989 178075439 /nfs/dbraw/zinc/07/54/39/178075439.db2.gz AKTURTPYIXXXON-LURJTMIESA-N 1 0 205.179 1.404 10 0 BDAERO Cc1cc(=[N+](C)C)ccn1OCc1ccccc1 ZINC000005379108 178095723 /nfs/dbraw/zinc/09/57/23/178095723.db2.gz RCRMVWQGEYUBMG-UHFFFAOYSA-N 1 0 243.330 1.977 10 0 BDAERO Cc1cc(N(C)C[C@@H](C)C[NH3+])nc(C(C)C)n1 ZINC000042455618 178099188 /nfs/dbraw/zinc/09/91/88/178099188.db2.gz UIXPMSGJBNNYDF-JTQLQIEISA-N 1 0 236.363 1.939 10 0 BDAERO Cc1cc(N)ccc1N[C@@H]1CC[N@@H+](C)C1 ZINC000042544934 178107760 /nfs/dbraw/zinc/10/77/60/178107760.db2.gz YVSFVLAWRFXQDY-LLVKDONJSA-N 1 0 205.305 1.693 10 0 BDAERO C[C@]1(C[NH3+])COc2c(F)ccc(F)c2O1 ZINC000536954243 398197936 /nfs/dbraw/zinc/19/79/36/398197936.db2.gz LPRIPMYIHAERAA-JTQLQIEISA-N 1 0 215.199 1.453 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000306465091 398201457 /nfs/dbraw/zinc/20/14/57/398201457.db2.gz ILRSZNXAKWHENM-UTLUCORTSA-N 1 0 228.336 1.898 10 0 BDAERO C[C@H](N[C@H]1CSC1(C)C)[C@H]1CCC[NH2+]1 ZINC000306919169 398203203 /nfs/dbraw/zinc/20/32/03/398203203.db2.gz AZQFZNSENGEMIW-AEJSXWLSSA-N 1 0 214.378 1.611 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1C[NH3+] ZINC000638892551 398203698 /nfs/dbraw/zinc/20/36/98/398203698.db2.gz JEXIUWWEUUTZQN-DGCLKSJQSA-N 1 0 247.342 1.067 10 0 BDAERO CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)C1(C)C ZINC000386655739 398215356 /nfs/dbraw/zinc/21/53/56/398215356.db2.gz RKFMOGKHBVYLOI-QJPTWQEYSA-N 1 0 226.364 1.484 10 0 BDAERO CCc1ccc(N2C[C@@H](C[NH3+])OC2=O)cc1 ZINC000019669071 538927057 /nfs/dbraw/zinc/92/70/57/538927057.db2.gz IHNQNJBJKXPUGL-LLVKDONJSA-N 1 0 220.272 1.533 10 0 BDAERO Cc1cc(NC(=O)[C@H]([NH3+])C(C)(C)C)n(C)n1 ZINC000077488068 178148377 /nfs/dbraw/zinc/14/83/77/178148377.db2.gz IYSASFRBTGQPDE-VIFPVBQESA-N 1 0 224.308 1.040 10 0 BDAERO Cc1cc(NC(=O)c2cccc(C[NH3+])c2)n(C)n1 ZINC000019281870 178150251 /nfs/dbraw/zinc/15/02/51/178150251.db2.gz BGMILXMUHSBEEI-UHFFFAOYSA-N 1 0 244.298 1.440 10 0 BDAERO Cc1cc(NCC(N)=O)c2ccccc2[nH+]1 ZINC000035206416 178156922 /nfs/dbraw/zinc/15/69/22/178156922.db2.gz MAPLNSAHBAEZAX-UHFFFAOYSA-N 1 0 215.256 1.440 10 0 BDAERO CCC[C@]1([NH2+]C[C@@H]2CCCN2C)CCOC1 ZINC000386533003 398211596 /nfs/dbraw/zinc/21/15/96/398211596.db2.gz GPSXODWORLTVKP-STQMWFEESA-N 1 0 226.364 1.629 10 0 BDAERO CNc1cccc([C@@H]2CCOCC[NH2+]2)c1 ZINC000616658626 398223137 /nfs/dbraw/zinc/22/31/37/398223137.db2.gz ICSCDUZAVZUQJJ-LBPRGKRZSA-N 1 0 206.289 1.779 10 0 BDAERO Cc1cc(N[C@@H]2CC[C@H]([NH+](C)C)C2)ncn1 ZINC000301919875 178182406 /nfs/dbraw/zinc/18/24/06/178182406.db2.gz IUBPGHABBFCBRF-MNOVXSKESA-N 1 0 220.320 1.680 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139317375 361738313 /nfs/dbraw/zinc/73/83/13/361738313.db2.gz DIFRBQGETHYRLU-MNOVXSKESA-N 1 0 227.352 1.424 10 0 BDAERO Cc1cc(O[C@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000095068977 178213997 /nfs/dbraw/zinc/21/39/97/178213997.db2.gz OCDYDFFDHUYQLT-QMMMGPOBSA-N 1 0 227.695 1.569 10 0 BDAERO Cc1cc(OC2CC[NH2+]CC2)nc(C)n1 ZINC000051865390 178208894 /nfs/dbraw/zinc/20/88/94/178208894.db2.gz NQMVZOUHJQAQNO-UHFFFAOYSA-N 1 0 207.277 1.224 10 0 BDAERO Cc1cc(Sc2ccnc(C(N)=[NH2+])c2)n(C)n1 ZINC000061814741 178220086 /nfs/dbraw/zinc/22/00/86/178220086.db2.gz BAUYYDMFGZSVGQ-UHFFFAOYSA-N 1 0 247.327 1.559 10 0 BDAERO C[C@@H]1CCSCCN1C(=O)C(C)(C)[NH3+] ZINC000306642924 361773936 /nfs/dbraw/zinc/77/39/36/361773936.db2.gz VILDEDWLCFGOQU-MRVPVSSYSA-N 1 0 216.350 1.078 10 0 BDAERO C[C@@H](CO)Nc1ccc(C[NH3+])cc1Cl ZINC000070821526 361774205 /nfs/dbraw/zinc/77/42/05/361774205.db2.gz HCTUDAOKPPUBDE-ZETCQYMHSA-N 1 0 214.696 1.591 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000421368815 192334566 /nfs/dbraw/zinc/33/45/66/192334566.db2.gz GNCMDPCRVLOHCT-FZMZJTMJSA-N 1 0 247.338 1.967 10 0 BDAERO Cc1cc([C@@H](CO)[NH2+]C2CC2)cc(C)c1O ZINC000038124337 178235610 /nfs/dbraw/zinc/23/56/10/178235610.db2.gz VVIDOTUHIKHWQQ-GFCCVEGCSA-N 1 0 221.300 1.794 10 0 BDAERO Cc1cc([C@@H]([NH3+])c2cnn(C)c2)ccc1F ZINC000043462342 178237099 /nfs/dbraw/zinc/23/70/99/178237099.db2.gz FBOHDBXRHDKTBF-GFCCVEGCSA-N 1 0 219.263 1.916 10 0 BDAERO Cc1cc([C@@](O)(C[NH3+])C(F)(F)F)ccc1F ZINC000062784451 178243244 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/nfs/dbraw/zinc/37/98/54/178379854.db2.gz RTHCLWJSMXTZME-SNVBAGLBSA-N 1 0 222.288 1.412 10 0 BDAERO CC[C@](C)(C[NH3+])[C@@H](O)CCCSC ZINC000231743926 538952777 /nfs/dbraw/zinc/95/27/77/538952777.db2.gz KIJSZUZZXUZAQF-VHSXEESVSA-N 1 0 205.367 1.866 10 0 BDAERO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H]1CCCN1C ZINC000386355542 398264971 /nfs/dbraw/zinc/26/49/71/398264971.db2.gz VFCARUTYYHKXLI-SRVKXCTJSA-N 1 0 212.337 1.238 10 0 BDAERO CCC(CC)NC(=O)CN[C@@H](C)CC[NH+](C)C ZINC000049557075 168377147 /nfs/dbraw/zinc/37/71/47/168377147.db2.gz LRQATFLVFGQDOL-NSHDSACASA-N 1 0 243.395 1.221 10 0 BDAERO CCC(CC)NC(=O)CO[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000050211862 168377512 /nfs/dbraw/zinc/37/75/12/168377512.db2.gz FXPKVWJLVYKEQS-CMPLNLGQSA-N 1 0 242.363 1.448 10 0 BDAERO COC1CC([C@@H]2[NH2+]CCc3nc[nH]c32)C1 ZINC000714503998 538956754 /nfs/dbraw/zinc/95/67/54/538956754.db2.gz AURZIZYDCKIKJN-KTOWXAHTSA-N 1 0 207.277 1.022 10 0 BDAERO C[C@@H]([NH3+])CNc1cc(C(F)(F)F)ccn1 ZINC000085486241 488178594 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361860251 /nfs/dbraw/zinc/86/02/51/361860251.db2.gz YYNXTVGTJLDKPQ-RXMQYKEDSA-N 1 0 223.223 1.835 10 0 BDAERO CN(Cc1cccs1)C1=[NH+]CCN1C ZINC000306653490 361860701 /nfs/dbraw/zinc/86/07/01/361860701.db2.gz GWBCMBGQFGVHSY-UHFFFAOYSA-N 1 0 209.318 1.481 10 0 BDAERO O[C@@]12CCCC[C@@H]1CCC[C@@H]2[NH+]1CCOCC1 ZINC000144572902 342746185 /nfs/dbraw/zinc/74/61/85/342746185.db2.gz PLICGHUTENGKPZ-RDBSUJKOSA-N 1 0 239.359 1.792 10 0 BDAERO COc1cccc([C@H](CO)[NH2+]CC(C)C)c1 ZINC000038122191 538965336 /nfs/dbraw/zinc/96/53/36/538965336.db2.gz WYKXTWCULHHXIO-ZDUSSCGKSA-N 1 0 223.316 1.974 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC000381858339 398280478 /nfs/dbraw/zinc/28/04/78/398280478.db2.gz VMXRVZWEWPHKLX-CHWSQXEVSA-N 1 0 227.348 1.554 10 0 BDAERO NC(=[NH2+])CSc1cc(F)ccc1F ZINC000035676323 342754439 /nfs/dbraw/zinc/75/44/39/342754439.db2.gz BBPDJRRPZIIUHQ-UHFFFAOYSA-N 1 0 202.229 1.993 10 0 BDAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(N)=O ZINC000035708285 342756662 /nfs/dbraw/zinc/75/66/62/342756662.db2.gz HZGOYRYWCVFNDO-OUAUKWLOSA-N 1 0 212.337 1.522 10 0 BDAERO COC(=O)/C=C/C[NH2+]CCc1ccccc1 ZINC000146015157 342764408 /nfs/dbraw/zinc/76/44/08/342764408.db2.gz OKJGAAZZZSWSJL-VMPITWQZSA-N 1 0 219.284 1.548 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](COc2ccccc2)CO1 ZINC000146191736 342767297 /nfs/dbraw/zinc/76/72/97/342767297.db2.gz UQAXLWWYSGHXCB-DGCLKSJQSA-N 1 0 221.300 1.819 10 0 BDAERO CCC[C@]1(NC(C)=O)C[NH+]2CCC1CC2 ZINC000146846464 342772227 /nfs/dbraw/zinc/77/22/27/342772227.db2.gz ZVGBJSCWXNTVRL-LBPRGKRZSA-N 1 0 210.321 1.387 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C=C[C@H]([NH3+])CC1 ZINC000039093651 538968358 /nfs/dbraw/zinc/96/83/58/538968358.db2.gz GDUXFJMJXLLJPW-IUCAKERBSA-N 1 0 212.293 1.557 10 0 BDAERO OCC[NH2+][C@@H]1CCC[C@@H]1Oc1ccccc1 ZINC000309653272 342776412 /nfs/dbraw/zinc/77/64/12/342776412.db2.gz UMBLVXGMIQLKJF-OLZOCXBDSA-N 1 0 221.300 1.568 10 0 BDAERO [NH3+][C@@H]1Cc2ccc(Br)cc2[C@@H]1O ZINC000008699397 342802599 /nfs/dbraw/zinc/80/25/99/342802599.db2.gz BBGSZWVDGBNSFX-BDAKNGLRSA-N 1 0 228.089 1.366 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C(C)(C)C ZINC000381900915 398285062 /nfs/dbraw/zinc/28/50/62/398285062.db2.gz CFKYISOAIHBKJL-SECBINFHSA-N 1 0 200.326 1.617 10 0 BDAERO [NH3+][C@H]1CCC[C@H](N=c2[nH]c3ccccc3[nH]2)C1 ZINC000335397802 398285907 /nfs/dbraw/zinc/28/59/07/398285907.db2.gz DGZKZRHSRCMMPL-UWVGGRQHSA-N 1 0 230.315 1.667 10 0 BDAERO CC(C)OC(=O)N1CC[C@H](C)[C@H]([NH3+])C1 ZINC000069719509 342823404 /nfs/dbraw/zinc/82/34/04/342823404.db2.gz IQONDPMYCXYTMN-DTWKUNHWSA-N 1 0 200.282 1.201 10 0 BDAERO [NH3+][C@]1(CC2CCCC2)CCS(=O)(=O)C1 ZINC000157616124 342807226 /nfs/dbraw/zinc/80/72/26/342807226.db2.gz HUSCIXIAHBQIHA-JTQLQIEISA-N 1 0 217.334 1.083 10 0 BDAERO C[C@@H]1C[C@]2(C[NH+]=C(N)N2Cc2ccccc2)CO1 ZINC000401485579 342827992 /nfs/dbraw/zinc/82/79/92/342827992.db2.gz XCJHRIXIYMAQBQ-RISCZKNCSA-N 1 0 245.326 1.574 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCNC2=O)c(C)s1 ZINC000380211813 538987454 /nfs/dbraw/zinc/98/74/54/538987454.db2.gz ZGZGXBBBQPDLRJ-SNVBAGLBSA-N 1 0 224.329 1.343 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000380340421 538989074 /nfs/dbraw/zinc/98/90/74/538989074.db2.gz RLAUFLBPXCCDLA-UWVGGRQHSA-N 1 0 209.293 1.111 10 0 BDAERO [NH3+][C@H]1CC=C(C(=O)c2ccncc2F)C1 ZINC000226563527 342829934 /nfs/dbraw/zinc/82/99/34/342829934.db2.gz PADQTYGHQOKUSH-YUMQZZPRSA-N 1 0 206.220 1.307 10 0 BDAERO CCn1cc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)cn1 ZINC000044498690 538989932 /nfs/dbraw/zinc/98/99/32/538989932.db2.gz HLLVJCLQMJOFNL-DRZSPHRISA-N 1 0 237.347 1.857 10 0 BDAERO CN(C)c1cccnc1C[NH2+]C1CSC1 ZINC000379977563 538983183 /nfs/dbraw/zinc/98/31/83/538983183.db2.gz FJXRYVXHEIRNKY-UHFFFAOYSA-N 1 0 223.345 1.353 10 0 BDAERO CC1(C)CC([NH2+]C2CCN(CCO)CC2)C1 ZINC000381642376 539006040 /nfs/dbraw/zinc/00/60/40/539006040.db2.gz ASDJFNMVQDLYID-UHFFFAOYSA-N 1 0 226.364 1.221 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@H]1CCCOC1 ZINC000381757060 539007245 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ZINC000236197860 343083677 /nfs/dbraw/zinc/08/36/77/343083677.db2.gz XPZDANPUSKPWMW-CYBMUJFWSA-N 1 0 246.358 1.895 10 0 BDAERO C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CCCCC1 ZINC000584883027 343085800 /nfs/dbraw/zinc/08/58/00/343085800.db2.gz DXQJQNMOLWNOCB-NWDGAFQWSA-N 1 0 215.337 1.288 10 0 BDAERO CC(C)SCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000576863443 365707015 /nfs/dbraw/zinc/70/70/15/365707015.db2.gz IXISHCVUVNATGU-GARJFASQSA-N 1 0 242.388 1.324 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+][C@@H](C2CC2)C1 ZINC000584882981 343086023 /nfs/dbraw/zinc/08/60/23/343086023.db2.gz CLUPJWQLOYDJFK-NXEZZACHSA-N 1 0 226.320 1.652 10 0 BDAERO CN(Cc1cscn1)[C@H]1CCC[C@@H]1[NH3+] ZINC000042867632 362033907 /nfs/dbraw/zinc/03/39/07/362033907.db2.gz REDBFAWIGYFOEE-UWVGGRQHSA-N 1 0 211.334 1.455 10 0 BDAERO Cn1cc(SC[C@H]2CCCC[NH2+]2)cn1 ZINC000043495597 343091580 /nfs/dbraw/zinc/09/15/80/343091580.db2.gz IFRFQTAUVDBNMF-SECBINFHSA-N 1 0 211.334 1.654 10 0 BDAERO CC(C)CC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000217417061 343077527 /nfs/dbraw/zinc/07/75/27/343077527.db2.gz QYPIABLPDHUISK-YOGCLGLASA-N 1 0 224.348 1.679 10 0 BDAERO CC(C)=C(F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309914219 259349416 /nfs/dbraw/zinc/34/94/16/259349416.db2.gz OJTMFETVZTYDQM-VIFPVBQESA-N 1 0 214.284 1.508 10 0 BDAERO CCOC(OCC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000043504233 343101264 /nfs/dbraw/zinc/10/12/64/343101264.db2.gz DNDSCOZJRFBIHJ-NSHDSACASA-N 1 0 241.331 1.296 10 0 BDAERO Cc1ccc2c(c1)CC[C@@]1(C[NH+]=CN1)C2 ZINC000013743757 343102720 /nfs/dbraw/zinc/10/27/20/343102720.db2.gz QDMSKVKJNXFJGO-ZDUSSCGKSA-N 1 0 200.285 1.854 10 0 BDAERO C1=[NH+]C[C@@H](CC2=Cc3ccccc3OC2)N1 ZINC000013862096 343107490 /nfs/dbraw/zinc/10/74/90/343107490.db2.gz AHXKOBNBPUNQDW-GFCCVEGCSA-N 1 0 214.268 1.853 10 0 BDAERO Cc1ccc(C)c([C@@H]([NH3+])CCC(N)=O)c1 ZINC000037483741 178496163 /nfs/dbraw/zinc/49/61/63/178496163.db2.gz ZURBGODVVJQZPI-NSHDSACASA-N 1 0 206.289 1.569 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000236840767 343113623 /nfs/dbraw/zinc/11/36/23/343113623.db2.gz OPRYXAUIESGKAV-QXEWZRGKSA-N 1 0 228.336 1.186 10 0 BDAERO [NH3+]CCCCCn1cc(Br)cn1 ZINC000049582078 343113669 /nfs/dbraw/zinc/11/36/69/343113669.db2.gz UWBITRDQKIXJBJ-UHFFFAOYSA-N 1 0 232.125 1.775 10 0 BDAERO COCc1cc(NC2CC[NH2+]CC2)nc(C)n1 ZINC000045950887 187233173 /nfs/dbraw/zinc/23/31/73/187233173.db2.gz XBJKSKLPPHPTHB-UHFFFAOYSA-N 1 0 236.319 1.095 10 0 BDAERO C[C@@H](C(N)=[NH2+])N1CCc2sccc2C1 ZINC000043515102 343116567 /nfs/dbraw/zinc/11/65/67/343116567.db2.gz YJHXTDXVJIJOKL-ZETCQYMHSA-N 1 0 209.318 1.431 10 0 BDAERO C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCS1 ZINC000120532128 343126297 /nfs/dbraw/zinc/12/62/97/343126297.db2.gz OVJMRVFPMSQXGN-GXSJLCMTSA-N 1 0 228.361 1.092 10 0 BDAERO C[NH+]1CCC(Oc2nccnc2Cl)CC1 ZINC000043536942 343132493 /nfs/dbraw/zinc/13/24/93/343132493.db2.gz PNOYUKPQEONOQF-UHFFFAOYSA-N 1 0 227.695 1.603 10 0 BDAERO CCC[NH2+]C[C@@H](O)COc1ccccc1CC ZINC000033466156 343142172 /nfs/dbraw/zinc/14/21/72/343142172.db2.gz SSMZWVZVATXNCT-CYBMUJFWSA-N 1 0 237.343 1.988 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC(F)(F)F ZINC000133693555 343185864 /nfs/dbraw/zinc/18/58/64/343185864.db2.gz FESSARKLERZBJE-BQBZGAKWSA-N 1 0 224.226 1.277 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000131565038 343183937 /nfs/dbraw/zinc/18/39/37/343183937.db2.gz DTGZXXOBVFKVFW-LBPRGKRZSA-N 1 0 243.310 1.731 10 0 BDAERO CC(=O)Nc1ccc([C@H](O)[C@H]2CCC[NH2+]2)cc1 ZINC000074367695 187241705 /nfs/dbraw/zinc/24/17/05/187241705.db2.gz HAGAPBLNMLMIAF-OLZOCXBDSA-N 1 0 234.299 1.430 10 0 BDAERO C[C@@H](CCC[NH3+])Nc1ccc2nccnc2n1 ZINC000094948024 343154499 /nfs/dbraw/zinc/15/44/99/343154499.db2.gz LZDKSECOHWYBEK-VIFPVBQESA-N 1 0 231.303 1.564 10 0 BDAERO Cc1ncccc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000094649135 343156722 /nfs/dbraw/zinc/15/67/22/343156722.db2.gz FKMPKKWPXCTGGU-NSHDSACASA-N 1 0 233.315 1.343 10 0 BDAERO CC(C)OC(=O)NC[C@H](C)C[NH+](C)C ZINC000393687072 259355033 /nfs/dbraw/zinc/35/50/33/259355033.db2.gz FZEHOEAEAINQCG-VIFPVBQESA-N 1 0 202.298 1.319 10 0 BDAERO Cc1ccc(C)c([C@]2(O)CC[NH2+][C@H]2C)c1 ZINC000033856333 178503405 /nfs/dbraw/zinc/50/34/05/178503405.db2.gz KSLRKTMWALYFIS-AAEUAGOBSA-N 1 0 205.301 1.873 10 0 BDAERO CCc1nc(CC[NH2+][C@@H]2CC[C@@H]2CC)no1 ZINC000310034109 343224338 /nfs/dbraw/zinc/22/43/38/343224338.db2.gz SGRVJKVUGVMGIM-VHSXEESVSA-N 1 0 223.320 1.953 10 0 BDAERO COc1ccc(CNc2c[nH+]c(N)nc2N)cc1 ZINC000013532444 187251167 /nfs/dbraw/zinc/25/11/67/187251167.db2.gz AUACRCYTCOSLMP-UHFFFAOYSA-N 1 0 245.286 1.262 10 0 BDAERO O[C@@]12CCCC[C@H]1C[N@H+](CCCF)CC2 ZINC000088026836 136283889 /nfs/dbraw/zinc/28/38/89/136283889.db2.gz QGQMOTSMWZKBAQ-NWDGAFQWSA-N 1 0 215.312 1.973 10 0 BDAERO CC(C)C[C@@H]([NH3+])CN1CCOC[C@@H]1C ZINC000035776910 187249490 /nfs/dbraw/zinc/24/94/90/187249490.db2.gz NGIBYBXDPWPFIU-WDEREUQCSA-N 1 0 200.326 1.081 10 0 BDAERO c1ccc2c(c1)CC[NH2+][C@@H]2CN1CCOCC1 ZINC000043595889 343241287 /nfs/dbraw/zinc/24/12/87/343241287.db2.gz APYSJZRHXKSRTL-CQSZACIVSA-N 1 0 232.327 1.206 10 0 BDAERO CCC[C@H]([NH3+])c1cccc(S(C)(=O)=O)n1 ZINC000238249227 343252947 /nfs/dbraw/zinc/25/29/47/343252947.db2.gz NUSMYCYIEZWHRS-QMMMGPOBSA-N 1 0 228.317 1.285 10 0 BDAERO CCOc1ccc(SC[C@H](O)C[NH3+])cc1 ZINC000019686845 187252474 /nfs/dbraw/zinc/25/24/74/187252474.db2.gz CLUXWKODRAHHPI-SECBINFHSA-N 1 0 227.329 1.497 10 0 BDAERO CCC[NH+](CCC)CC(=O)Nc1nnc(C)o1 ZINC000033893852 343262340 /nfs/dbraw/zinc/26/23/40/343262340.db2.gz XYPPATVNMYDYCK-UHFFFAOYSA-N 1 0 240.307 1.439 10 0 BDAERO [NH3+][C@H]1COC[C@@H]1C(=O)CC1CCCCC1 ZINC000226611422 343263869 /nfs/dbraw/zinc/26/38/69/343263869.db2.gz XTUSKXVFFWDWIP-QWRGUYRKSA-N 1 0 211.305 1.500 10 0 BDAERO Cc1ccc(OCC[C@@](C)(O)C[NH3+])cc1C ZINC000019668297 187253033 /nfs/dbraw/zinc/25/30/33/187253033.db2.gz HEESDVYSWPSLSR-CYBMUJFWSA-N 1 0 223.316 1.782 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000034516472 343274094 /nfs/dbraw/zinc/27/40/94/343274094.db2.gz SRIANBFFCCZBBZ-QMMMGPOBSA-N 1 0 214.309 1.509 10 0 BDAERO CC[NH+](CC)CCNCc1c[nH]nc1C ZINC000036901503 343327129 /nfs/dbraw/zinc/32/71/29/343327129.db2.gz WVXCBFVJMPBRPJ-UHFFFAOYSA-N 1 0 210.325 1.150 10 0 BDAERO CCc1noc(C)c1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000641056113 362167634 /nfs/dbraw/zinc/16/76/34/362167634.db2.gz VJMAJZRWABHINA-UHFFFAOYSA-N 1 0 249.318 1.379 10 0 BDAERO COC(=O)[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000035571288 343297920 /nfs/dbraw/zinc/29/79/20/343297920.db2.gz BSDXYXKNEOGHEC-GFCCVEGCSA-N 1 0 245.322 1.968 10 0 BDAERO CC(C)[NH+](CCN1C(=O)C=CC1=O)C(C)C ZINC000019972205 187253275 /nfs/dbraw/zinc/25/32/75/187253275.db2.gz QITHKBPLRSPZLL-UHFFFAOYSA-N 1 0 224.304 1.030 10 0 BDAERO CC(C)(O)COc1ccc(Cl)cc1C[NH3+] ZINC000037700976 187253293 /nfs/dbraw/zinc/25/32/93/187253293.db2.gz MLAXBTRJDOFWIT-UHFFFAOYSA-N 1 0 229.707 1.948 10 0 BDAERO O=c1oc2ccccc2cc1CN1CC[NH2+]CC1 ZINC000038478270 343375281 /nfs/dbraw/zinc/37/52/81/343375281.db2.gz VZGWKDBFRBVUPC-UHFFFAOYSA-N 1 0 244.294 1.198 10 0 BDAERO C[N@@H+]1CC[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC000201338503 343377872 /nfs/dbraw/zinc/37/78/72/343377872.db2.gz SZJMLVCONGZYHM-JQWIXIFHSA-N 1 0 201.269 1.918 10 0 BDAERO [NH3+][C@@H](C(=O)NCCc1ccco1)c1ccccc1 ZINC000035661780 187258077 /nfs/dbraw/zinc/25/80/77/187258077.db2.gz ZKIKWEMRXWQDCO-CYBMUJFWSA-N 1 0 244.294 1.638 10 0 BDAERO CC(=O)N1CC[NH+](Cc2cccc(N)c2C)CC1 ZINC000035648980 187258395 /nfs/dbraw/zinc/25/83/95/187258395.db2.gz DSRPVJJOHSVQHP-UHFFFAOYSA-N 1 0 247.342 1.241 10 0 BDAERO CCC[NH2+][C@@H](C(N)=O)c1cccc(OC)c1 ZINC000037870217 187261117 /nfs/dbraw/zinc/26/11/17/187261117.db2.gz MLNPSYFGJWDFEU-LLVKDONJSA-N 1 0 222.288 1.221 10 0 BDAERO C[C@H](O)C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671387 343408015 /nfs/dbraw/zinc/40/80/15/343408015.db2.gz YVZVBESUFXMARG-DZGCQCFKSA-N 1 0 248.370 1.274 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2cc(N)ns2)C1 ZINC000234320364 343409303 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/nfs/dbraw/zinc/94/38/95/346943895.db2.gz IZDPUGJJWIOWOI-UHFFFAOYSA-N 1 0 217.265 1.078 10 0 BDAERO CC(C)(C)[C@H]([NH3+])C[C@H]1CCS(=O)(=O)C1 ZINC000038085269 187262702 /nfs/dbraw/zinc/26/27/02/187262702.db2.gz SLRJLRCYVTXKSK-RKDXNWHRSA-N 1 0 219.350 1.185 10 0 BDAERO [NH3+]CCN1CCCCC[C@@H]1c1cnoc1 ZINC000616625304 343525059 /nfs/dbraw/zinc/52/50/59/343525059.db2.gz YKNOXOAIPQIWKD-LLVKDONJSA-N 1 0 209.293 1.550 10 0 BDAERO OCc1cccc([C@@H]2CC[NH2+]CCO2)c1 ZINC000616664876 343533466 /nfs/dbraw/zinc/53/34/66/343533466.db2.gz CWQAMYLMECMOSG-LBPRGKRZSA-N 1 0 207.273 1.230 10 0 BDAERO CCC(CC)(CC)[NH2+]C[C@H]1CNC(=O)O1 ZINC000379954311 365760692 /nfs/dbraw/zinc/76/06/92/365760692.db2.gz UVHMQTXBYWIGAX-SECBINFHSA-N 1 0 214.309 1.653 10 0 BDAERO Cc1ccc(NC[C@H]2CCC[NH2+]C2)nn1 ZINC000044503079 343504429 /nfs/dbraw/zinc/50/44/29/343504429.db2.gz BQNBMBKNNMZYSZ-JTQLQIEISA-N 1 0 206.293 1.197 10 0 BDAERO CC(C)N(CC[NH3+])[C@H](C)C(=O)N1CCCCC1 ZINC000041160525 187264132 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/nfs/dbraw/zinc/26/65/18/187266518.db2.gz JCXBPGYSFGHYLZ-GFCCVEGCSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@@H](C[NH+](C)C)n1cc(Br)c(N)n1 ZINC000713987131 537800504 /nfs/dbraw/zinc/80/05/04/537800504.db2.gz ISDSPFKBJFDQBD-LURJTMIESA-N 1 0 247.140 1.350 10 0 BDAERO CC1(C)CN(C(=O)[C@H]2CCC[C@H]2[NH3+])CCS1 ZINC000158372651 133502120 /nfs/dbraw/zinc/50/21/20/133502120.db2.gz CZKDKIIRNBVOPB-VHSXEESVSA-N 1 0 242.388 1.468 10 0 BDAERO COC(C)(C)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000159220933 349829014 /nfs/dbraw/zinc/82/90/14/349829014.db2.gz SEQKNTNBLZLMAD-ZJUUUORDSA-N 1 0 200.326 1.223 10 0 BDAERO C[NH2+]Cc1ccc(Oc2ccccc2)nn1 ZINC000051548349 187270934 /nfs/dbraw/zinc/27/09/34/187270934.db2.gz HNTQQAQTXHYCBO-UHFFFAOYSA-N 1 0 215.256 1.988 10 0 BDAERO C[C@@H]1COC[C@@H](CC(=O)c2ccsc2)[NH2+]1 ZINC000124436003 537804552 /nfs/dbraw/zinc/80/45/52/537804552.db2.gz NHGBKLVHISGGDC-PSASIEDQSA-N 1 0 225.313 1.698 10 0 BDAERO Cc1nccn1CC[NH2+][C@@H](CN(C)C)C(C)C ZINC000049330459 187269840 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/nfs/dbraw/zinc/27/21/51/187272151.db2.gz KITHDMLUDSSHGJ-LLVKDONJSA-N 1 0 214.378 1.567 10 0 BDAERO CC1(C)C[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178800296 346965895 /nfs/dbraw/zinc/96/58/95/346965895.db2.gz YUUCNMNHQMFKQP-WDEREUQCSA-N 1 0 222.332 1.339 10 0 BDAERO [NH3+]CCCc1cnn(Cc2ccccc2)c1 ZINC000044282873 343780856 /nfs/dbraw/zinc/78/08/56/343780856.db2.gz FEYFZGRPVSOUGW-UHFFFAOYSA-N 1 0 215.300 1.823 10 0 BDAERO [NH3+]CCN(C1CC1)C1CCSCC1 ZINC000107143568 343785798 /nfs/dbraw/zinc/78/57/98/343785798.db2.gz OPJRYNLVJFJPOG-UHFFFAOYSA-N 1 0 200.351 1.305 10 0 BDAERO C[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000109498327 343786127 /nfs/dbraw/zinc/78/61/27/343786127.db2.gz OEMVBUQHCPUZTA-WDEREUQCSA-N 1 0 244.298 1.987 10 0 BDAERO CCn1cc(CC[NH3+])c(C(F)(F)F)n1 ZINC000308482593 343789981 /nfs/dbraw/zinc/78/99/81/343789981.db2.gz YOPLNUIEXBCSIO-UHFFFAOYSA-N 1 0 207.199 1.423 10 0 BDAERO COc1ccc([C@H](C[NH3+])CC(=O)NC2CC2)cc1 ZINC000057537089 187272878 /nfs/dbraw/zinc/27/28/78/187272878.db2.gz UAABYDMASWYJQU-NSHDSACASA-N 1 0 248.326 1.406 10 0 BDAERO Cn1nc(C2CC[NH2+]CC2)c2c1CCCC2 ZINC000215731430 343792333 /nfs/dbraw/zinc/79/23/33/343792333.db2.gz BFNZBYMJEZLILP-UHFFFAOYSA-N 1 0 219.332 1.766 10 0 BDAERO CC(C)N1C[C@@H](COC2CC[NH2+]CC2)CC1=O ZINC000231563173 343794283 /nfs/dbraw/zinc/79/42/83/343794283.db2.gz FFWXJVIHWLASDC-NSHDSACASA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)N(Cc1ccccn1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062115089 187273291 /nfs/dbraw/zinc/27/32/91/187273291.db2.gz HTEKYSITQPTOCP-GFCCVEGCSA-N 1 0 247.342 1.428 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1C[C@@H]2CCC(F)(F)[C@H]2C1 ZINC000409427211 343800683 /nfs/dbraw/zinc/80/06/83/343800683.db2.gz KAIZISZUXBWKJH-UTLUCORTSA-N 1 0 244.285 1.100 10 0 BDAERO CCOc1cccc2c1CCN2C(=O)[C@@H](C)[NH3+] ZINC000409428304 343803246 /nfs/dbraw/zinc/80/32/46/343803246.db2.gz MDQVYJDRJPPGLY-SECBINFHSA-N 1 0 234.299 1.322 10 0 BDAERO C[NH2+]Cc1nc2cccnc2n1CC(C)C ZINC000409421988 343812062 /nfs/dbraw/zinc/81/20/62/343812062.db2.gz AXRIBRUAMIRXQY-UHFFFAOYSA-N 1 0 218.304 1.807 10 0 BDAERO CC(=[NH2+])N1CCN(CC(F)(F)F)CC1 ZINC000062987648 349868166 /nfs/dbraw/zinc/86/81/66/349868166.db2.gz TZFCZXKZOZYTOE-UHFFFAOYSA-N 1 0 209.215 1.163 10 0 BDAERO CC[C@@H]1CN(Cc2cccc(OC)c2)CC[NH2+]1 ZINC000068692378 187274603 /nfs/dbraw/zinc/27/46/03/187274603.db2.gz GLLXJHYGCGAMMU-CYBMUJFWSA-N 1 0 234.343 1.879 10 0 BDAERO O=C(CC1CC[NH2+]CC1)N1CCC[C@H](F)C1 ZINC000409422978 343814229 /nfs/dbraw/zinc/81/42/29/343814229.db2.gz KJMAYCGUCSULNY-NSHDSACASA-N 1 0 228.311 1.337 10 0 BDAERO O=C([C@H]1CCCC[NH2+]1)N1CCC[C@H](F)C1 ZINC000409423053 343814931 /nfs/dbraw/zinc/81/49/31/343814931.db2.gz KYZMJCCNCFBDPS-VHSXEESVSA-N 1 0 214.284 1.089 10 0 BDAERO C=Cc1ccc(Cn2cc(C[NH3+])nn2)cc1 ZINC000409423285 343815194 /nfs/dbraw/zinc/81/51/94/343815194.db2.gz NENMTHCPRQEUPT-UHFFFAOYSA-N 1 0 214.272 1.428 10 0 BDAERO Cc1ccccc1/C=C/C(=O)N1CC([NH3+])C1 ZINC000409424043 343816701 /nfs/dbraw/zinc/81/67/01/343816701.db2.gz SNNFAHWZICWDDO-VOTSOKGWSA-N 1 0 216.284 1.178 10 0 BDAERO CC(C)(C)OC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000409432836 343827886 /nfs/dbraw/zinc/82/78/86/343827886.db2.gz PEHDXYXUPBOAOB-UHFFFAOYSA-N 1 0 211.305 1.990 10 0 BDAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336663676 537817975 /nfs/dbraw/zinc/81/79/75/537817975.db2.gz KXGNAYIWDMZNMD-RHYQMDGZSA-N 1 0 224.348 1.678 10 0 BDAERO CC(F)(F)[C@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000409433185 343826534 /nfs/dbraw/zinc/82/65/34/343826534.db2.gz XSEZCXNDMWWQBW-QMMMGPOBSA-N 1 0 220.263 1.229 10 0 BDAERO NC(=[NH2+])N1CCOc2ccc(Cl)cc2C1 ZINC000409428721 343804050 /nfs/dbraw/zinc/80/40/50/343804050.db2.gz MWXPESAHVBWFCR-UHFFFAOYSA-N 1 0 225.679 1.428 10 0 BDAERO CCCCNc1cc(OCC[NH3+])ncn1 ZINC000409429339 343805041 /nfs/dbraw/zinc/80/50/41/343805041.db2.gz JZPISBYGTJSVHF-UHFFFAOYSA-N 1 0 210.281 1.026 10 0 BDAERO [NH3+]Cc1nnn2c1CO[C@H](c1ccsc1)C2 ZINC000409429757 343806694 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ZINC000183609463 187310080 /nfs/dbraw/zinc/31/00/80/187310080.db2.gz PPVBCDMVHRERMF-QOWREQOWSA-N 1 0 247.338 1.802 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000309607033 187309875 /nfs/dbraw/zinc/30/98/75/187309875.db2.gz LNUHOMYKIGAQLA-DGCLKSJQSA-N 1 0 222.332 1.599 10 0 BDAERO OC1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000236468746 537916455 /nfs/dbraw/zinc/91/64/55/537916455.db2.gz HWVAJOUDAPCQOB-RUJICJSRSA-N 1 0 213.321 1.183 10 0 BDAERO CCc1nc(C)c(CN2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000335918661 345872032 /nfs/dbraw/zinc/87/20/32/345872032.db2.gz BSLYQWYHYOEWGB-LBPRGKRZSA-N 1 0 249.358 1.825 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000181125571 345928746 /nfs/dbraw/zinc/92/87/46/345928746.db2.gz UDLJZDAORWKLIU-OLZOCXBDSA-N 1 0 237.347 1.691 10 0 BDAERO C[C@H]1C[C@@]2(CS1)[NH2+]CCc1nc[nH]c12 ZINC000307091799 537920757 /nfs/dbraw/zinc/92/07/57/537920757.db2.gz RECFAUPUEGORKG-XVKPBYJWSA-N 1 0 209.318 1.276 10 0 BDAERO Cc1ccc(C(=O)N2CC([NH3+])C2)cc1C 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/nfs/dbraw/zinc/93/02/94/537930294.db2.gz JLUOFXYJQAYCQZ-BXKDBHETSA-N 1 0 205.305 1.961 10 0 BDAERO C[NH2+]CCCS(=O)(=O)CCCC(F)(F)F ZINC000148361176 346035545 /nfs/dbraw/zinc/03/55/45/346035545.db2.gz DAUFPJLBPMPZQI-UHFFFAOYSA-N 1 0 247.282 1.353 10 0 BDAERO CCCS(=O)(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000082818569 537940168 /nfs/dbraw/zinc/94/01/68/537940168.db2.gz NJZLKXQXIPNBQY-BDAKNGLRSA-N 1 0 205.323 1.081 10 0 BDAERO CCCS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C)C1 ZINC000082818581 537940317 /nfs/dbraw/zinc/94/03/17/537940317.db2.gz HKZAMYIVMRLKLQ-ZJUUUORDSA-N 1 0 219.350 1.342 10 0 BDAERO COc1ccc(OCCSCC[NH3+])cc1 ZINC000020399339 187316021 /nfs/dbraw/zinc/31/60/21/187316021.db2.gz UFXWXTXKUAONHU-UHFFFAOYSA-N 1 0 227.329 1.766 10 0 BDAERO CCCC[NH2+]CC[C@H](CO)[C@@H]1CCCOC1 ZINC000685963396 537946033 /nfs/dbraw/zinc/94/60/33/537946033.db2.gz NJDWQMMBAFEWKS-CHWSQXEVSA-N 1 0 229.364 1.801 10 0 BDAERO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](C[NH3+])O2 ZINC000669371726 537948745 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/nfs/dbraw/zinc/22/55/83/346225583.db2.gz OSVSUBKJBMPALO-WKEGUHRASA-N 1 0 242.116 1.614 10 0 BDAERO CC(C)([NH3+])c1nnc(-c2nccs2)o1 ZINC000083346261 187318836 /nfs/dbraw/zinc/31/88/36/187318836.db2.gz FRAUQYLKGOFNPB-UHFFFAOYSA-N 1 0 210.262 1.387 10 0 BDAERO CC(C)[NH2+]CCN(C)C(=O)C1CCCC1 ZINC000669378383 537966796 /nfs/dbraw/zinc/96/67/96/537966796.db2.gz CHLLCFUPTLRHAN-UHFFFAOYSA-N 1 0 212.337 1.633 10 0 BDAERO [NH3+]CCC1(O)CC(OCc2ccccc2)C1 ZINC000669377639 537965119 /nfs/dbraw/zinc/96/51/19/537965119.db2.gz VQJGOFXZJNPQDV-UHFFFAOYSA-N 1 0 221.300 1.446 10 0 BDAERO CCC[C@H](C)C(=O)N(C)CC[NH2+]C(C)C ZINC000669378591 537968373 /nfs/dbraw/zinc/96/83/73/537968373.db2.gz IJOFJTJCEPIQDO-NSHDSACASA-N 1 0 214.353 1.879 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000082327500 537968547 /nfs/dbraw/zinc/96/85/47/537968547.db2.gz SWXKQKRTYYRLEM-QWRGUYRKSA-N 1 0 240.347 1.995 10 0 BDAERO CC1(C)C[NH2+]C[C@@H]1NC(=O)C1CCCC1 ZINC000669378864 537971124 /nfs/dbraw/zinc/97/11/24/537971124.db2.gz QLKQNFOQLILQKK-JTQLQIEISA-N 1 0 210.321 1.291 10 0 BDAERO Cc1cccc(CCC(=O)N[C@H]2C[C@@H]2[NH3+])c1 ZINC000051986027 179054653 /nfs/dbraw/zinc/05/46/53/179054653.db2.gz YJWLEXYQYKPSTA-RYUDHWBXSA-N 1 0 218.300 1.143 10 0 BDAERO Cc1ncc2c(n1)CC[C@@H]([NH2+]CC1CC1)C2 ZINC000381565194 346360465 /nfs/dbraw/zinc/36/04/65/346360465.db2.gz SZDZQOFRVZNTNZ-GFCCVEGCSA-N 1 0 217.316 1.642 10 0 BDAERO CC[C@@](C)(O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000381584765 346388089 /nfs/dbraw/zinc/38/80/89/346388089.db2.gz GZKODIBGCOEEBG-GFCCVEGCSA-N 1 0 225.336 1.406 10 0 BDAERO CC1CC(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000381594244 346398407 /nfs/dbraw/zinc/39/84/07/346398407.db2.gz KWNYBODHZPYSEY-DJRKXVOMSA-N 1 0 210.321 1.147 10 0 BDAERO CC(C)[C@@H](C)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000669379053 537974303 /nfs/dbraw/zinc/97/43/03/537974303.db2.gz UVAJJEHTRIXLOZ-ZJUUUORDSA-N 1 0 212.337 1.393 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC000641784547 362722785 /nfs/dbraw/zinc/72/27/85/362722785.db2.gz ZTTNBRUBTNTUBV-OUAUKWLOSA-N 1 0 210.321 1.433 10 0 BDAERO OCC[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419201084 192102915 /nfs/dbraw/zinc/10/29/15/192102915.db2.gz BUIIFEBSKJBFFM-GFCCVEGCSA-N 1 0 227.348 1.507 10 0 BDAERO C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000300215255 346421507 /nfs/dbraw/zinc/42/15/07/346421507.db2.gz UGROSFSYFZFMLJ-OUAUKWLOSA-N 1 0 210.321 1.243 10 0 BDAERO Cc1cccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000094567282 179086819 /nfs/dbraw/zinc/08/68/19/179086819.db2.gz RPYLDJGJVGTOJY-OLZOCXBDSA-N 1 0 248.326 1.118 10 0 BDAERO C[C@@H]1CCN[C@]2(CC[NH2+]C[C@@H]2C)S1 ZINC000229565648 346437831 /nfs/dbraw/zinc/43/78/31/346437831.db2.gz OVFUFGNETQTYSZ-IVZWLZJFSA-N 1 0 200.351 1.427 10 0 BDAERO CCC(C)(C)NC(=O)NC12CC([NH3+])(C1)C2 ZINC000725241833 537980699 /nfs/dbraw/zinc/98/06/99/537980699.db2.gz RQWSFGGBFLXMTC-UHFFFAOYSA-N 1 0 211.309 1.108 10 0 BDAERO Cc1cccc(C[NH2+]C[C@H]2CCCO2)n1 ZINC000037927439 179094671 /nfs/dbraw/zinc/09/46/71/179094671.db2.gz HMYMEJHWVQVGQD-GFCCVEGCSA-N 1 0 206.289 1.659 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282455645 179097143 /nfs/dbraw/zinc/09/71/43/179097143.db2.gz SSIAASWKRATDDA-DGCLKSJQSA-N 1 0 232.327 1.752 10 0 BDAERO Cc1cccc(C[C@H](C[NH3+])C(=O)N2CCCC2)c1 ZINC000050304863 179104546 /nfs/dbraw/zinc/10/45/46/179104546.db2.gz ZYZIODUOMPHCRZ-CQSZACIVSA-N 1 0 246.354 1.735 10 0 BDAERO CC(C)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105823773 346560353 /nfs/dbraw/zinc/56/03/53/346560353.db2.gz CWJRQPPASBBUNG-VXGBXAGGSA-N 1 0 214.353 1.029 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(SC)CC1 ZINC000300805519 346538066 /nfs/dbraw/zinc/53/80/66/346538066.db2.gz GHELUWYPSRKJBN-GXSJLCMTSA-N 1 0 244.404 1.714 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000300386826 346575744 /nfs/dbraw/zinc/57/57/44/346575744.db2.gz ZFMFAZHBFABYAP-HBNTYKKESA-N 1 0 212.337 1.679 10 0 BDAERO Nc1c(Br)cnn1C1CC[NH2+]CC1 ZINC000725242128 537984020 /nfs/dbraw/zinc/98/40/20/537984020.db2.gz HOIPRHUKBVWTIH-UHFFFAOYSA-N 1 0 245.124 1.152 10 0 BDAERO CC(C(=O)NOCc1ccccc1)=C1C[NH2+]C1 ZINC000164598726 346611627 /nfs/dbraw/zinc/61/16/27/346611627.db2.gz CKSCQJFEKYDUGM-UHFFFAOYSA-N 1 0 232.283 1.154 10 0 BDAERO Cc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000124159510 179132266 /nfs/dbraw/zinc/13/22/66/179132266.db2.gz KKWAFKBKNIANTA-LLVKDONJSA-N 1 0 248.330 1.558 10 0 BDAERO Nc1ccc(C[NH3+])cc1-c1ccc(F)nc1 ZINC000669380047 537985003 /nfs/dbraw/zinc/98/50/03/537985003.db2.gz GVIZRNKDTJBSFR-UHFFFAOYSA-N 1 0 217.247 1.929 10 0 BDAERO CSC[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000308153299 346705934 /nfs/dbraw/zinc/70/59/34/346705934.db2.gz RWPCZDXXZXMWNO-BDAKNGLRSA-N 1 0 205.367 1.735 10 0 BDAERO C[NH+](C)CCN1CCCc2cc(N)cc(F)c21 ZINC000167691326 346714588 /nfs/dbraw/zinc/71/45/88/346714588.db2.gz DNGKQBSKMDUQOH-UHFFFAOYSA-N 1 0 237.322 1.722 10 0 BDAERO CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000221620904 346695420 /nfs/dbraw/zinc/69/54/20/346695420.db2.gz LOWDNTWQJJDMKY-GFCCVEGCSA-N 1 0 222.263 1.319 10 0 BDAERO COC[C@@]1(C(C)C)[NH2+]CCc2ncn(C)c21 ZINC000725242598 537986251 /nfs/dbraw/zinc/98/62/51/537986251.db2.gz KBSBDGRYHPODJQ-LBPRGKRZSA-N 1 0 223.320 1.064 10 0 BDAERO CC[C@]1(C2CCC2)[NH2+]CCc2ncn(C)c21 ZINC000725242745 537986477 /nfs/dbraw/zinc/98/64/77/537986477.db2.gz OXADMWAMRMKEMQ-CYBMUJFWSA-N 1 0 219.332 1.971 10 0 BDAERO Cc1cccc(Nc2nc[nH+]c(NN)c2N)c1 ZINC000040781637 179161165 /nfs/dbraw/zinc/16/11/65/179161165.db2.gz GFAGSLGCVAJSQF-UHFFFAOYSA-N 1 0 230.275 1.396 10 0 BDAERO Cc1cccc(OCC[NH2+]CCN(C)C)c1 ZINC000041241324 179168054 /nfs/dbraw/zinc/16/80/54/179168054.db2.gz GYWDTRBVNKHJTP-UHFFFAOYSA-N 1 0 222.332 1.525 10 0 BDAERO Cc1cccc(OC[C@H](CO)[NH2+]C(C)C)c1 ZINC000082901521 179170712 /nfs/dbraw/zinc/17/07/12/179170712.db2.gz POYVEJIGGQMJKC-LBPRGKRZSA-N 1 0 223.316 1.733 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)C1CCCCC1 ZINC000390602618 259394393 /nfs/dbraw/zinc/39/43/93/259394393.db2.gz BPSBIAQTPVURSV-MWLCHTKSSA-N 1 0 226.320 1.653 10 0 BDAERO CCC(F)(F)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000641824675 362774297 /nfs/dbraw/zinc/77/42/97/362774297.db2.gz XDTNDQIXAIXNSH-DTWKUNHWSA-N 1 0 206.280 1.558 10 0 BDAERO CCC(CC)[NH2+]Cc1nc(CO)cs1 ZINC000669380259 537987042 /nfs/dbraw/zinc/98/70/42/537987042.db2.gz WCPITTCOCGUSNX-UHFFFAOYSA-N 1 0 214.334 1.914 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000669380258 537987311 /nfs/dbraw/zinc/98/73/11/537987311.db2.gz JNRDOQUDFNTRQY-NKWVEPMBSA-N 1 0 241.257 1.220 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])Sc2nnnn2C)c1 ZINC000042969552 179185121 /nfs/dbraw/zinc/18/51/21/179185121.db2.gz NHHVZTNUNCOIID-SNVBAGLBSA-N 1 0 249.343 1.311 10 0 BDAERO CCC[C@H](C(=O)OCC)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325451 347207130 /nfs/dbraw/zinc/20/71/30/347207130.db2.gz CLKPHZVEAHUHLY-SDDRHHMPSA-N 1 0 242.363 1.245 10 0 BDAERO Cc1cccc([C@@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c1 ZINC000043299952 179185851 /nfs/dbraw/zinc/18/58/51/179185851.db2.gz MEJUTHXORXFFJQ-NWDGAFQWSA-N 1 0 239.340 1.430 10 0 BDAERO Cc1cccc([C@@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000037869313 179186730 /nfs/dbraw/zinc/18/67/30/179186730.db2.gz PQZZIRCWMPKUNP-LLVKDONJSA-N 1 0 206.289 1.519 10 0 BDAERO Cc1cc2nc(C3C[NH2+]C3)nn2c(Cl)c1 ZINC000725242972 537987668 /nfs/dbraw/zinc/98/76/68/537987668.db2.gz CXBHQIWYZGWELU-UHFFFAOYSA-N 1 0 222.679 1.378 10 0 BDAERO CC1COC(C[NH3+])(c2ccccc2)OC1 ZINC000167806612 347184404 /nfs/dbraw/zinc/18/44/04/347184404.db2.gz GLWYXBFPPARWBJ-UHFFFAOYSA-N 1 0 207.273 1.481 10 0 BDAERO C[NH+](C)CCCOc1cc(Cl)nc(N)n1 ZINC000087795671 362789715 /nfs/dbraw/zinc/78/97/15/362789715.db2.gz XUMBFEFYOMCTFE-UHFFFAOYSA-N 1 0 230.699 1.043 10 0 BDAERO CCn1ncnc1-c1cc(C[NH3+])ccc1N ZINC000669380399 537988093 /nfs/dbraw/zinc/98/80/93/537988093.db2.gz MXXFVYKLCGKWCV-UHFFFAOYSA-N 1 0 217.276 1.006 10 0 BDAERO CO[C@@]1(c2ccc(Cl)cc2)CC[NH2+]C[C@H]1O ZINC000059715987 347229133 /nfs/dbraw/zinc/22/91/33/347229133.db2.gz IALQWAMTXUIBPM-VXGBXAGGSA-N 1 0 241.718 1.536 10 0 BDAERO C[C@H]([NH3+])c1ccc(Cn2cccn2)cc1 ZINC000059834955 347231087 /nfs/dbraw/zinc/23/10/87/347231087.db2.gz XLQVCBUHOOEPMV-JTQLQIEISA-N 1 0 201.273 1.951 10 0 BDAERO CC[S@](=O)[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1[NH3+] ZINC000250229173 362796787 /nfs/dbraw/zinc/79/67/87/362796787.db2.gz DCQBZYRHSJRMEU-ACDNLYMZSA-N 1 0 203.351 1.517 10 0 BDAERO CC[S@](=O)[C@@H]1[C@H](C)C[C@H](C)C[C@H]1[NH2+]C ZINC000250248925 362797063 /nfs/dbraw/zinc/79/70/63/362797063.db2.gz QZIRJVALMGTGGT-QDWKJQELSA-N 1 0 217.378 1.778 10 0 BDAERO C[C@H](N[C@@H]1CC[N@H+](C)C[C@H]1C)C(F)F ZINC000299894829 347247489 /nfs/dbraw/zinc/24/74/89/347247489.db2.gz ATBYEEZXRHWCLD-HRDYMLBCSA-N 1 0 206.280 1.570 10 0 BDAERO CN([C@@H]1CCC[NH2+]C1)[C@H]1CCCSC1 ZINC000250367548 362800638 /nfs/dbraw/zinc/80/06/38/362800638.db2.gz GLPYGXUNLWJIJI-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO Cc1cccc([C@H]([NH2+]C2CC2)C(N)=O)c1C ZINC000043315328 179201640 /nfs/dbraw/zinc/20/16/40/179201640.db2.gz MDRFWUKMMGWLKE-LBPRGKRZSA-N 1 0 218.300 1.582 10 0 BDAERO Cc1cccc([C@H]([NH2+]CC(C)C)C(N)=O)c1 ZINC000037946075 179202040 /nfs/dbraw/zinc/20/20/40/179202040.db2.gz FJNDTOCIXLNBJC-LBPRGKRZSA-N 1 0 220.316 1.767 10 0 BDAERO Cc1cccc([C@H]([C@H](C)[NH3+])n2cncn2)c1 ZINC000042967736 179203856 /nfs/dbraw/zinc/20/38/56/179203856.db2.gz MRZYRFLZZMMKIO-JQWIXIFHSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1cccc2c(N(C)CC(N)=O)cc[nH+]c12 ZINC000302760847 179210906 /nfs/dbraw/zinc/21/09/06/179210906.db2.gz XFQYJHFZHWXKRJ-UHFFFAOYSA-N 1 0 229.283 1.465 10 0 BDAERO Cc1cccc2c1S(=O)(=O)C[C@@H](C)[C@H]2[NH3+] ZINC000037665960 179222554 /nfs/dbraw/zinc/22/25/54/179222554.db2.gz WHAKFFXABRNGFF-PSASIEDQSA-N 1 0 225.313 1.418 10 0 BDAERO Cc1cc2nc(C3CC[NH2+]CC3)nn2c(O)c1 ZINC000725242979 537989430 /nfs/dbraw/zinc/98/94/30/537989430.db2.gz DGRWVHPNNZEUSJ-UHFFFAOYSA-N 1 0 232.287 1.210 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1[S@](=O)C1CCCCC1 ZINC000250865774 362824491 /nfs/dbraw/zinc/82/44/91/362824491.db2.gz RGEJVSRBULOYGW-UHIISALHSA-N 1 0 215.362 1.948 10 0 BDAERO Cc1cccc2c1OCCC[C@H]2[NH2+]CCO ZINC000037250652 179221190 /nfs/dbraw/zinc/22/11/90/179221190.db2.gz UOXWRSYVUMBOSQ-GFCCVEGCSA-N 1 0 221.300 1.791 10 0 BDAERO CCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616568611 347450262 /nfs/dbraw/zinc/45/02/62/347450262.db2.gz BZLOINQAVPSYME-NWDGAFQWSA-N 1 0 226.364 1.927 10 0 BDAERO Cc1cccc2nc3n(c(=O)c12)CC[C@H]3[NH3+] ZINC000072266492 179231394 /nfs/dbraw/zinc/23/13/94/179231394.db2.gz FLUIPWPEAQUPOY-MRVPVSSYSA-N 1 0 215.256 1.108 10 0 BDAERO Cn1cnc2c1[C@@H](CC(F)(F)F)[NH2+]CC2 ZINC000725242798 537990018 /nfs/dbraw/zinc/99/00/18/537990018.db2.gz UFLALWIOVVNKMV-SSDOTTSWSA-N 1 0 219.210 1.559 10 0 BDAERO CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616568277 347444481 /nfs/dbraw/zinc/44/44/81/347444481.db2.gz AGBREGFCWPWSMO-QWHCGFSZSA-N 1 0 236.290 1.407 10 0 BDAERO Oc1cc(C2CCC2)cc2nc(C3C[NH2+]C3)nn21 ZINC000725243283 537990909 /nfs/dbraw/zinc/99/09/09/537990909.db2.gz UXJUUKVBLXRDHQ-UHFFFAOYSA-N 1 0 244.298 1.389 10 0 BDAERO Nc1ccc(C[NH3+])cc1-c1cnccn1 ZINC000669380542 537990417 /nfs/dbraw/zinc/99/04/17/537990417.db2.gz QIFIJOBTUPPROH-UHFFFAOYSA-N 1 0 200.245 1.185 10 0 BDAERO Cc1ccccc1-c1nnc(CC[NH3+])o1 ZINC000011585751 179239199 /nfs/dbraw/zinc/23/91/99/179239199.db2.gz GVIGDPZPHBHCDJ-UHFFFAOYSA-N 1 0 203.245 1.546 10 0 BDAERO Cc1ccccc1CCN1CC[NH2+]C[C@@H]1C ZINC000071520965 179263382 /nfs/dbraw/zinc/26/33/82/179263382.db2.gz MQCHVOQWHJSVOU-ZDUSSCGKSA-N 1 0 218.344 1.831 10 0 BDAERO CCc1cc2nc(C3CC[NH2+]CC3)nn2c(O)c1 ZINC000725243262 537991280 /nfs/dbraw/zinc/99/12/80/537991280.db2.gz SZHKBWQCQINCRS-UHFFFAOYSA-N 1 0 246.314 1.464 10 0 BDAERO CC(C)C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)C ZINC000616569232 347592559 /nfs/dbraw/zinc/59/25/59/347592559.db2.gz HGDSCYXDEIJOSJ-NEPJUHHUSA-N 1 0 226.364 1.783 10 0 BDAERO Cc1ccccc1CN1C[C@@H](C)O[C@H](C[NH3+])C1 ZINC000071544581 179277146 /nfs/dbraw/zinc/27/71/46/179277146.db2.gz VNVNXMCUGRFDMI-TZMCWYRMSA-N 1 0 234.343 1.543 10 0 BDAERO Cc1ccccc1CNC(=O)c1ccc(C[NH3+])o1 ZINC000011628018 179279373 /nfs/dbraw/zinc/27/93/73/179279373.db2.gz PXXKXDRHZMHUJL-UHFFFAOYSA-N 1 0 244.294 1.977 10 0 BDAERO Cc1ccccc1C[C@H](C)NC(=O)C1C[NH2+]C1 ZINC000091415145 179290809 /nfs/dbraw/zinc/29/08/09/179290809.db2.gz OXKMHHLCXASVME-NSHDSACASA-N 1 0 232.327 1.262 10 0 BDAERO CCC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C[NH3+] ZINC000669380765 537993010 /nfs/dbraw/zinc/99/30/10/537993010.db2.gz WCLONIBXBWHQEU-SRVKXCTJSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1ccccc1C[C@H]([NH3+])c1cnn(C)c1 ZINC000026514330 179291797 /nfs/dbraw/zinc/29/17/97/179291797.db2.gz OQQRFFSPPQOZJG-ZDUSSCGKSA-N 1 0 215.300 1.971 10 0 BDAERO Cc1ccccc1Cc1n[nH]c([C@H](C)[NH3+])n1 ZINC000061844029 179293228 /nfs/dbraw/zinc/29/32/28/179293228.db2.gz KGUJQDSJMKHEFE-VIFPVBQESA-N 1 0 216.288 1.724 10 0 BDAERO Cc1cnn([C@H](C[NH3+])C(F)(F)C(F)(F)F)c1 ZINC000616569834 347849211 /nfs/dbraw/zinc/84/92/11/347849211.db2.gz NWQOKTZGUCHXCW-ZCFIWIBFSA-N 1 0 243.179 1.889 10 0 BDAERO Cc1ccccc1NC(=O)C[NH2+]C[C@H]1CCOC1 ZINC000038094138 179299138 /nfs/dbraw/zinc/29/91/38/179299138.db2.gz PWCVSSGBNSDHOJ-GFCCVEGCSA-N 1 0 248.326 1.560 10 0 BDAERO CC[C@@H](O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308565097 347871506 /nfs/dbraw/zinc/87/15/06/347871506.db2.gz YANVYMAERAPVFK-NXEZZACHSA-N 1 0 203.326 1.144 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])Cn1cccn1 ZINC000023071271 179324081 /nfs/dbraw/zinc/32/40/81/179324081.db2.gz QAUZXUKJGXMYAA-LBPRGKRZSA-N 1 0 201.273 1.892 10 0 BDAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CCSC1 ZINC000725244243 537995834 /nfs/dbraw/zinc/99/58/34/537995834.db2.gz GQSLRRUHBPATSK-JTQLQIEISA-N 1 0 217.334 1.410 10 0 BDAERO CC(C)N1CC[NH+](CC[C@@H]2CCC2=O)CC1 ZINC000669381629 537994828 /nfs/dbraw/zinc/99/48/28/537994828.db2.gz PTOCGNHMXSJSKO-LBPRGKRZSA-N 1 0 224.348 1.382 10 0 BDAERO CCC[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290041 490122399 /nfs/dbraw/zinc/12/23/99/490122399.db2.gz MBSDQXXHGFYHSY-WDEREUQCSA-N 1 0 212.337 1.681 10 0 BDAERO CN(C)c1cc(Br)ccc1C[NH3+] ZINC000036985440 347997065 /nfs/dbraw/zinc/99/70/65/347997065.db2.gz GXRYXYCVOCROIT-UHFFFAOYSA-N 1 0 229.121 1.974 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1ccc(Br)cc1F ZINC000036985241 347997546 /nfs/dbraw/zinc/99/75/46/347997546.db2.gz QDKPUQQIAUSPPU-CDUCUWFYSA-N 1 0 248.095 1.969 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000247324322 179332315 /nfs/dbraw/zinc/33/23/15/179332315.db2.gz TUEDNICRPCRHNR-UBHSHLNASA-N 1 0 244.338 1.577 10 0 BDAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCC[C@H](O)C1 ZINC000043035260 179347513 /nfs/dbraw/zinc/34/75/13/179347513.db2.gz DKIWLJSPBDFUAQ-IPYPFGDCSA-N 1 0 248.370 1.840 10 0 BDAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCC[NH3+] ZINC000237679117 179348365 /nfs/dbraw/zinc/34/83/65/179348365.db2.gz JDPYATZEHOFZGH-OLZOCXBDSA-N 1 0 232.327 1.564 10 0 BDAERO Cc1ccc(NC(=O)CN(C)C)c(C)c1C[NH3+] ZINC000616570592 348069553 /nfs/dbraw/zinc/06/95/53/348069553.db2.gz BQCCHMFERQHACS-UHFFFAOYSA-N 1 0 235.331 1.262 10 0 BDAERO Cc1ccccc1[C@H]([NH3+])Cn1cncn1 ZINC000023071246 179343263 /nfs/dbraw/zinc/34/32/63/179343263.db2.gz TYBSEJLRMMWDAX-LLVKDONJSA-N 1 0 202.261 1.287 10 0 BDAERO Cc1ccccc1[C@H](O)CC[N@@H+]1CCC[C@@H]1CO ZINC000054025512 179345712 /nfs/dbraw/zinc/34/57/12/179345712.db2.gz CCSGHJOUGXSIKK-UKRRQHHQSA-N 1 0 249.354 1.875 10 0 BDAERO CC1(C(=O)Nc2cccnc2C[NH3+])CC1 ZINC000616570664 348079989 /nfs/dbraw/zinc/07/99/89/348079989.db2.gz BVXIUFACMQKKAG-UHFFFAOYSA-N 1 0 205.261 1.279 10 0 BDAERO Cc1cc(C)nc(S[C@H](C)C(N)=[NH2+])n1 ZINC000051607488 349982295 /nfs/dbraw/zinc/98/22/95/349982295.db2.gz RSBQPYNKOJPBBQ-SSDOTTSWSA-N 1 0 210.306 1.510 10 0 BDAERO Cc1cccnc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000040458848 179392223 /nfs/dbraw/zinc/39/22/23/179392223.db2.gz GRLNELAGYJNCNQ-VIFPVBQESA-N 1 0 205.261 1.081 10 0 BDAERO C[C@H]1C[N@@H+]([C@H]2CCCC(=O)C2)CCCO1 ZINC000251538792 362884536 /nfs/dbraw/zinc/88/45/36/362884536.db2.gz ARDXNDIIHAZCNL-QWRGUYRKSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@H](CC(C)(C)O)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000394971694 323184909 /nfs/dbraw/zinc/18/49/09/323184909.db2.gz ABTMRZPNPJFRAA-KKOKHZNYSA-N 1 0 241.375 1.939 10 0 BDAERO C[C@@H]1C[C@](O)([C@H]2CCCC[NH2+]2)CS1 ZINC000251752564 362906500 /nfs/dbraw/zinc/90/65/00/362906500.db2.gz DFJIOFWCLITOJP-OPRDCNLKSA-N 1 0 201.335 1.385 10 0 BDAERO C[NH+]1CCC(Nc2nsnc2Cl)CC1 ZINC000037372367 348356241 /nfs/dbraw/zinc/35/62/41/348356241.db2.gz QFYBRXWWFONBNT-UHFFFAOYSA-N 1 0 232.740 1.698 10 0 BDAERO CC[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1C(=O)C(F)(F)F ZINC000251809369 362926073 /nfs/dbraw/zinc/92/60/73/362926073.db2.gz YTRMMXGTJCJKKZ-BIIVOSGPSA-N 1 0 236.237 1.005 10 0 BDAERO COC(=O)c1cc(C)cc2c1C[NH2+]CC2 ZINC000725246092 538005436 /nfs/dbraw/zinc/00/54/36/538005436.db2.gz IWCQNCNFCSLQEM-UHFFFAOYSA-N 1 0 205.257 1.427 10 0 BDAERO CCOC(=O)c1ccc(N[C@@H](C)C[NH2+]C)nc1 ZINC000596032684 348427250 /nfs/dbraw/zinc/42/72/50/348427250.db2.gz NOMUJOLYDOAKTP-VIFPVBQESA-N 1 0 237.303 1.278 10 0 BDAERO C[C@H]1CCCCN1c1cc(N)c(N)c[nH+]1 ZINC000669382989 538006215 /nfs/dbraw/zinc/00/62/15/538006215.db2.gz QIFSCVZNPVQURZ-QMMMGPOBSA-N 1 0 206.293 1.625 10 0 BDAERO CN(CC[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000308805945 348695995 /nfs/dbraw/zinc/69/59/95/348695995.db2.gz ONJPXANQXBGGJM-NSHDSACASA-N 1 0 214.353 1.077 10 0 BDAERO [NH3+][C@H]1C[C@@]12CNc1cc3c(cc12)OCCCO3 ZINC000725246966 538009822 /nfs/dbraw/zinc/00/98/22/538009822.db2.gz BSGVDPATPLJDBH-STQMWFEESA-N 1 0 232.283 1.242 10 0 BDAERO COc1cc2c(cc1OC)[C@@]1(C[C@@H]1[NH3+])CN2 ZINC000725247132 538011105 /nfs/dbraw/zinc/01/11/05/538011105.db2.gz INFBBXKMQRNMIE-NWDGAFQWSA-N 1 0 220.272 1.098 10 0 BDAERO CCCN1C[C@@]2(C[C@@H]2[NH3+])c2ccccc21 ZINC000725247051 538012352 /nfs/dbraw/zinc/01/23/52/538012352.db2.gz FXUCPFKIKXYYJL-STQMWFEESA-N 1 0 202.301 1.885 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3CC3)CC[C@@H]12 ZINC000669383850 538012509 /nfs/dbraw/zinc/01/25/09/538012509.db2.gz ZCUFYCHLXJLSLK-QJPTWQEYSA-N 1 0 222.332 1.372 10 0 BDAERO Cc1cnccc1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000335597184 179700770 /nfs/dbraw/zinc/70/07/70/179700770.db2.gz NPJJNASVCPVHHR-YPMHNXCESA-N 1 0 247.342 1.394 10 0 BDAERO CCOc1ccc(NC(=O)[C@@H](C)[NH2+]C)c(C)c1 ZINC000054074641 348875679 /nfs/dbraw/zinc/87/56/79/348875679.db2.gz ZTJXJASSNPKYLQ-SNVBAGLBSA-N 1 0 236.315 1.940 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000054075394 348877838 /nfs/dbraw/zinc/87/78/38/348877838.db2.gz YAJWGYQREIAZIL-NXEZZACHSA-N 1 0 237.303 1.254 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000054076920 348879786 /nfs/dbraw/zinc/87/97/86/348879786.db2.gz YPXXEVNLLDQEKD-YPMHNXCESA-N 1 0 232.327 1.610 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)CCC(C)C ZINC000054072416 348888766 /nfs/dbraw/zinc/88/87/66/348888766.db2.gz MRZYXLFZCTZZGD-NXEZZACHSA-N 1 0 200.326 1.535 10 0 BDAERO CC(C)CCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308318 348974702 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349117825 /nfs/dbraw/zinc/11/78/25/349117825.db2.gz KSFFAHIAJDKHMG-UHFFFAOYSA-N 1 0 201.220 1.916 10 0 BDAERO OC[C@]1(Cc2ccc(Cl)cc2)C[NH2+]CCO1 ZINC000616577709 349118854 /nfs/dbraw/zinc/11/88/54/349118854.db2.gz ICBRHTJCODZZFK-LBPRGKRZSA-N 1 0 241.718 1.233 10 0 BDAERO CO[C@]1(COc2cccc(C)c2)CC[NH2+]C1 ZINC000616578196 349123893 /nfs/dbraw/zinc/12/38/93/349123893.db2.gz KFBAIFNMVKONNN-CYBMUJFWSA-N 1 0 221.300 1.752 10 0 BDAERO CC(C)[C@H](NC(=O)OC(C)(C)C)C(N)=[NH2+] ZINC000058672866 349187535 /nfs/dbraw/zinc/18/75/35/349187535.db2.gz UVMZGLUHVAHNHH-ZETCQYMHSA-N 1 0 215.297 1.472 10 0 BDAERO Cn1cc(C(=O)C2([NH3+])CCCCC2)cn1 ZINC000167877096 349289504 /nfs/dbraw/zinc/28/95/04/349289504.db2.gz CUXNRBQSEHHWIT-UHFFFAOYSA-N 1 0 207.277 1.264 10 0 BDAERO O=Cc1cccc2[nH]c3c(c21)CC[NH2+]C3 ZINC000725253629 538037578 /nfs/dbraw/zinc/03/75/78/538037578.db2.gz BMAJOSCFVHZAOI-UHFFFAOYSA-N 1 0 200.241 1.626 10 0 BDAERO CC(=O)N1CC[C@H]2[NH2+]C[C@H](c3ccccc3)[C@H]2C1 ZINC000616580081 349242298 /nfs/dbraw/zinc/24/22/98/349242298.db2.gz UPAGFGYNKUCHJB-RBSFLKMASA-N 1 0 244.338 1.610 10 0 BDAERO CN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1 ZINC000256456629 349395155 /nfs/dbraw/zinc/39/51/55/349395155.db2.gz YTQPNFFSFYEBDV-NSHDSACASA-N 1 0 241.338 1.840 10 0 BDAERO CC[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616586740 349405357 /nfs/dbraw/zinc/40/53/57/349405357.db2.gz ZHHVEFHPGKLOJP-JTQLQIEISA-N 1 0 205.305 1.656 10 0 BDAERO Cc1nc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])o1 ZINC000128154458 179903151 /nfs/dbraw/zinc/90/31/51/179903151.db2.gz RWHSGLCLVPZVHJ-VHSXEESVSA-N 1 0 237.303 1.291 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]1C ZINC000309036175 349370444 /nfs/dbraw/zinc/37/04/44/349370444.db2.gz GBWFYFZONYPZKT-QJPTWQEYSA-N 1 0 215.337 1.552 10 0 BDAERO Cc1nc(C)c(CSC(N)=[NH2+])s1 ZINC000039105009 179913180 /nfs/dbraw/zinc/91/31/80/179913180.db2.gz ZMZJDFSSSIJBQK-UHFFFAOYSA-N 1 0 201.320 1.887 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1ncnc2c1CCC2 ZINC000061278337 349373774 /nfs/dbraw/zinc/37/37/74/349373774.db2.gz QWHQIXOAACYFRD-JTQLQIEISA-N 1 0 232.331 1.154 10 0 BDAERO CCCC1CCC(N2C[C@@H]([NH3+])CC2=O)CC1 ZINC000049546875 168604526 /nfs/dbraw/zinc/60/45/26/168604526.db2.gz YIRACHVHARATHT-CXQJBGSLSA-N 1 0 224.348 1.905 10 0 BDAERO Cc1nc(C)n([C@@H](C)C[NH2+]C(C)(C)C)n1 ZINC000052574522 179923282 /nfs/dbraw/zinc/92/32/82/179923282.db2.gz MEDQIHPUHKVJBT-QMMMGPOBSA-N 1 0 210.325 1.844 10 0 BDAERO Cc1c(Br)ccc2nc(C[NH3+])cn21 ZINC000038549002 190993106 /nfs/dbraw/zinc/99/31/06/190993106.db2.gz VIYIPFBSKGMASX-UHFFFAOYSA-N 1 0 240.104 1.864 10 0 BDAERO Cc1nc(CN(C)[C@H]2CCC[NH2+]C2)cs1 ZINC000044609254 179948753 /nfs/dbraw/zinc/94/87/53/179948753.db2.gz HERQTAMGMWUOQY-NSHDSACASA-N 1 0 225.361 1.635 10 0 BDAERO Cc1cc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)no1 ZINC000070577958 350024514 /nfs/dbraw/zinc/02/45/14/350024514.db2.gz NOVLYECIUWJFAO-UWVGGRQHSA-N 1 0 237.303 1.117 10 0 BDAERO Cc1nc(C[NH3+])sc1-c1ccncc1 ZINC000032010466 179952444 /nfs/dbraw/zinc/95/24/44/179952444.db2.gz GDXZVNBPFVZRIK-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO CC[NH2+]CCNc1cncc(OC(C)C)n1 ZINC000070580112 350024626 /nfs/dbraw/zinc/02/46/26/350024626.db2.gz YIACWHDCCGMQOU-UHFFFAOYSA-N 1 0 224.308 1.285 10 0 BDAERO COC[C@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090224000 191001438 /nfs/dbraw/zinc/00/14/38/191001438.db2.gz HASAHGFMCSWFDI-WCBMZHEXSA-N 1 0 224.308 1.046 10 0 BDAERO Cc1nc(N)ncc1[C@@H](C)[NH+]1CCCCC1 ZINC000068575348 191002605 /nfs/dbraw/zinc/00/26/05/191002605.db2.gz XLGFYRZNPFQVEZ-SNVBAGLBSA-N 1 0 220.320 1.914 10 0 BDAERO CCCN(c1ncnc2c1CCC2)[C@H]1CC[NH2+]C1 ZINC000071332598 350101196 /nfs/dbraw/zinc/10/11/96/350101196.db2.gz ZJRYZEVTLWZHIL-NSHDSACASA-N 1 0 246.358 1.544 10 0 BDAERO CC[C@H](C)[S@](=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218751696 350102676 /nfs/dbraw/zinc/10/26/76/350102676.db2.gz ZHRYBDYMSBZTGA-WTBMIXGQSA-N 1 0 203.351 1.804 10 0 BDAERO Cc1nc(N2CCCCCC2)nc(C)c1C[NH3+] ZINC000020274805 180000777 /nfs/dbraw/zinc/00/07/77/180000777.db2.gz XWNDBVNKHHUVPF-UHFFFAOYSA-N 1 0 234.347 1.933 10 0 BDAERO Cc1nc(N2CCC[C@H]2C)sc1C[NH3+] ZINC000054968875 180002254 /nfs/dbraw/zinc/00/22/54/180002254.db2.gz SPBCIUUSVCMEEJ-SSDOTTSWSA-N 1 0 211.334 1.899 10 0 BDAERO Cc1nc(NC(=O)[C@](C)([NH3+])C2CC2)sc1C ZINC000042573253 180012080 /nfs/dbraw/zinc/01/20/80/180012080.db2.gz PPKNAJZNPYPZQJ-LLVKDONJSA-N 1 0 239.344 1.826 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CC(C)(C)CCCO ZINC000304216611 350145249 /nfs/dbraw/zinc/14/52/49/350145249.db2.gz GLLIETQLMCXGLC-LLVKDONJSA-N 1 0 231.380 1.782 10 0 BDAERO Cc1nc2c(c(NCCC[NH3+])n1)CCC2 ZINC000057328792 180069499 /nfs/dbraw/zinc/06/94/99/180069499.db2.gz XJDWQKNZSNLTIY-UHFFFAOYSA-N 1 0 206.293 1.034 10 0 BDAERO CCC[C@H]([NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257019 538059072 /nfs/dbraw/zinc/05/90/72/538059072.db2.gz FTGGSXCTUWBNOD-QMMMGPOBSA-N 1 0 247.302 1.383 10 0 BDAERO CCC[NH2+]Cc1nnn(CC)c1-c1ccnn1C ZINC000725257378 538063533 /nfs/dbraw/zinc/06/35/33/538063533.db2.gz MJLXOAIAALHOGT-UHFFFAOYSA-N 1 0 248.334 1.198 10 0 BDAERO Cc1ncc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)s1 ZINC000295025677 180144466 /nfs/dbraw/zinc/14/44/66/180144466.db2.gz NMEIIZIPYCJMRQ-GZMMTYOYSA-N 1 0 226.345 1.797 10 0 BDAERO CCC(C)(C)NC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000396015906 323283523 /nfs/dbraw/zinc/28/35/23/323283523.db2.gz QTSQAVGTNNFERI-NXEZZACHSA-N 1 0 227.352 1.602 10 0 BDAERO Cc1ncc(COC[C@@H]2CCC[NH2+]C2)s1 ZINC000062336956 180160982 /nfs/dbraw/zinc/16/09/82/180160982.db2.gz ZBWKLDKLMCWTHF-SNVBAGLBSA-N 1 0 226.345 1.968 10 0 BDAERO Cc1ncc(COC[C@H]2CCC[NH2+]2)s1 ZINC000062336961 180161190 /nfs/dbraw/zinc/16/11/90/180161190.db2.gz CZXJGQSSKHOQON-SECBINFHSA-N 1 0 212.318 1.720 10 0 BDAERO Cc1ncc(Cn2nc(C)c(C[NH3+])c2C)s1 ZINC000062337166 180163399 /nfs/dbraw/zinc/16/33/99/180163399.db2.gz FYRAWCDJLMTACR-UHFFFAOYSA-N 1 0 236.344 1.772 10 0 BDAERO Cc1ncc(NCC2CC[NH2+]CC2)nc1C ZINC000062202145 180170668 /nfs/dbraw/zinc/17/06/68/180170668.db2.gz RXMPSBCGDYYIJO-UHFFFAOYSA-N 1 0 220.320 1.505 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2CCCC[C@H]2O)n1 ZINC000038037854 180191871 /nfs/dbraw/zinc/19/18/71/180191871.db2.gz NFQGWXDCSGIEER-VXGBXAGGSA-N 1 0 221.304 1.178 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2CCCC[C@@H]2O)n1 ZINC000038037853 180192681 /nfs/dbraw/zinc/19/26/81/180192681.db2.gz NFQGWXDCSGIEER-RYUDHWBXSA-N 1 0 221.304 1.178 10 0 BDAERO Cc1ncccc1-c1nc(C[NH3+])cs1 ZINC000083344425 180209097 /nfs/dbraw/zinc/20/90/97/180209097.db2.gz NTLDVSVOANBIOJ-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO Cc1nccc(N[C@@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000104322560 180205740 /nfs/dbraw/zinc/20/57/40/180205740.db2.gz YVXWSOATTJLVDC-TZMCWYRMSA-N 1 0 240.310 1.822 10 0 BDAERO Cc1nccc(N[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000054936782 180206295 /nfs/dbraw/zinc/20/62/95/180206295.db2.gz HWXJZVMQDNLOOJ-ZJUUUORDSA-N 1 0 206.293 1.467 10 0 BDAERO Cc1nccc(C[NH2+]C[C@@](C)(O)C(C)C)n1 ZINC000167967071 180189258 /nfs/dbraw/zinc/18/92/58/180189258.db2.gz QMYZBMGPEQFLAM-GFCCVEGCSA-N 1 0 223.320 1.282 10 0 BDAERO Cc1nccn1CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000336715907 180239842 /nfs/dbraw/zinc/23/98/42/180239842.db2.gz VDPMUGCXLNFIBY-CYBMUJFWSA-N 1 0 237.347 1.286 10 0 BDAERO Cc1ncccc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000309289496 180221015 /nfs/dbraw/zinc/22/10/15/180221015.db2.gz VTGCEKPYXUUWMR-LBPRGKRZSA-N 1 0 220.316 1.594 10 0 BDAERO Nc1ccccc1CNc1ccnn1C1C[NH2+]C1 ZINC000725258699 538076311 /nfs/dbraw/zinc/07/63/11/538076311.db2.gz XNBWTIIZYWGJOS-UHFFFAOYSA-N 1 0 243.314 1.222 10 0 BDAERO Cc1nc2cc(F)c(OCC[NH3+])cc2c(=O)[nH]1 ZINC000725261651 538087117 /nfs/dbraw/zinc/08/71/17/538087117.db2.gz AGKYABHHOFPYES-UHFFFAOYSA-N 1 0 237.234 1.120 10 0 BDAERO Cc1nccn1CC[NH2+][C@H](CN(C)C)C(C)C ZINC000049330460 180261408 /nfs/dbraw/zinc/26/14/08/180261408.db2.gz HOWWXTUCOQXVDN-CYBMUJFWSA-N 1 0 238.379 1.367 10 0 BDAERO Cc1nsc(NC[C@H]([NH3+])C(C)C)n1 ZINC000083649200 350269276 /nfs/dbraw/zinc/26/92/76/350269276.db2.gz CPYRKPLLWAVDRZ-ZETCQYMHSA-N 1 0 200.311 1.242 10 0 BDAERO Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](C)O ZINC000194952126 180269627 /nfs/dbraw/zinc/26/96/27/180269627.db2.gz DUZIPQHNXQPPFF-ZYHUDNBSSA-N 1 0 223.320 1.037 10 0 BDAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCO ZINC000178292873 180269942 /nfs/dbraw/zinc/26/99/42/180269942.db2.gz QIAQGWBYKRMFHM-GFCCVEGCSA-N 1 0 223.320 1.038 10 0 BDAERO Cc1nccn1[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341293 180272282 /nfs/dbraw/zinc/27/22/82/180272282.db2.gz ZSUKPMAXDXATKC-SKDRFNHKSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1ncn(C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)c1C ZINC000052593718 180288100 /nfs/dbraw/zinc/28/81/00/180288100.db2.gz WNRPJDANHOHDQU-ZIAGYGMSSA-N 1 0 249.358 1.800 10 0 BDAERO C[C@@H](CC(N)=[NH2+])n1cc(Br)cn1 ZINC000038054408 350301047 /nfs/dbraw/zinc/30/10/47/350301047.db2.gz QQNAYXGIQOPZCT-YFKPBYRVSA-N 1 0 231.097 1.533 10 0 BDAERO CC(C)COC[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324280792 350289856 /nfs/dbraw/zinc/28/98/56/350289856.db2.gz ONGSQYLWTVZKAW-VXGBXAGGSA-N 1 0 247.379 1.017 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000725263225 538089646 /nfs/dbraw/zinc/08/96/46/538089646.db2.gz XQEYHHSMSPRKBV-GVXVVHGQSA-N 1 0 239.363 1.472 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000037268153 180326361 /nfs/dbraw/zinc/32/63/61/180326361.db2.gz FRRIYYMDGNKCIC-BDAKNGLRSA-N 1 0 241.360 1.579 10 0 BDAERO Cc1nn(-c2ccccc2)c(N(C)C)c1C[NH3+] ZINC000034957087 180330805 /nfs/dbraw/zinc/33/08/05/180330805.db2.gz XRUKZBKMMJCEKJ-UHFFFAOYSA-N 1 0 230.315 1.705 10 0 BDAERO Cc1nn(C)c(C)c1-c1nc([C@H](C)C[NH3+])no1 ZINC000054158548 180333079 /nfs/dbraw/zinc/33/30/79/180333079.db2.gz DMFGLOXJGDMZET-ZCFIWIBFSA-N 1 0 235.291 1.149 10 0 BDAERO Cc1ncc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)o1 ZINC000397928601 362955967 /nfs/dbraw/zinc/95/59/67/362955967.db2.gz SPDRFERUAWXKQA-JQWIXIFHSA-N 1 0 224.304 1.624 10 0 BDAERO Cc1ncsc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000084149385 180323286 /nfs/dbraw/zinc/32/32/86/180323286.db2.gz NSJDSBIEPINVJD-VHSXEESVSA-N 1 0 226.345 1.845 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2ccncc2)CC1 ZINC000616592102 350436434 /nfs/dbraw/zinc/43/64/34/350436434.db2.gz BVRCGOMZWYOTBE-LBPRGKRZSA-N 1 0 206.289 1.865 10 0 BDAERO Cc1nn(C)c(N(C)C2CCCC2)c1CC[NH3+] ZINC000104278062 180351069 /nfs/dbraw/zinc/35/10/69/180351069.db2.gz UOPIMLMXXXWOFZ-UHFFFAOYSA-N 1 0 236.363 1.609 10 0 BDAERO Cc1nn(C)c(N(C)Cc2ccncc2)c1C[NH3+] ZINC000036776708 180353346 /nfs/dbraw/zinc/35/33/46/180353346.db2.gz CIHIJIVCLATZMG-UHFFFAOYSA-N 1 0 245.330 1.219 10 0 BDAERO Cc1nn(C)c(N2CCCCCCC2)c1C(N)=[NH2+] ZINC000104313757 180354927 /nfs/dbraw/zinc/35/49/27/180354927.db2.gz JXLMVPHKOIMDCN-UHFFFAOYSA-N 1 0 249.362 1.783 10 0 BDAERO Cc1nn(C)c(N2C[C@H](C)C[C@H](C)C2)c1C[NH3+] ZINC000020469702 180356872 /nfs/dbraw/zinc/35/68/72/180356872.db2.gz QRUQOQZQYHUGCT-AOOOYVTPSA-N 1 0 236.363 1.670 10 0 BDAERO Cc1nn(C)c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1N ZINC000049564256 180360581 /nfs/dbraw/zinc/36/05/81/180360581.db2.gz VKBFENLBGPXGPO-WDEREUQCSA-N 1 0 249.362 1.349 10 0 BDAERO C[C@H](CCCO)C[NH2+]C[C@H](O)C(C)(C)C ZINC000384637816 350424910 /nfs/dbraw/zinc/42/49/10/350424910.db2.gz WVYWFQKGPPAEFN-MNOVXSKESA-N 1 0 217.353 1.392 10 0 BDAERO C[C@H](O)[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000162792930 350430244 /nfs/dbraw/zinc/43/02/44/350430244.db2.gz JYPGYOZAUJKKDW-UBHSHLNASA-N 1 0 247.338 1.693 10 0 BDAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000162792676 350430379 /nfs/dbraw/zinc/43/03/79/350430379.db2.gz JYPGYOZAUJKKDW-YUTCNCBUSA-N 1 0 247.338 1.693 10 0 BDAERO CCC[C@@H](N)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000309362139 323345829 /nfs/dbraw/zinc/34/58/29/323345829.db2.gz APDKBFLFJANYEC-JGVFFNPUSA-N 1 0 212.297 1.020 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1cn[nH]c1 ZINC000616592992 350491816 /nfs/dbraw/zinc/49/18/16/350491816.db2.gz JSSISMCVSVQWEL-AWEZNQCLSA-N 1 0 242.326 1.862 10 0 BDAERO Cc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000125963399 180375619 /nfs/dbraw/zinc/37/56/19/180375619.db2.gz QGWKVZNPEBQUFF-ZYHUDNBSSA-N 1 0 223.320 1.386 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2ccccc2C(N)=O)CC1 ZINC000616592665 350468742 /nfs/dbraw/zinc/46/87/42/350468742.db2.gz FIWAOMJIZUYWOI-CYBMUJFWSA-N 1 0 248.326 1.569 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2ccccc2CO)CC1 ZINC000616592791 350472785 /nfs/dbraw/zinc/47/27/85/350472785.db2.gz GFLCOLYRIHYIGI-AWEZNQCLSA-N 1 0 235.327 1.962 10 0 BDAERO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC000020350001 180379784 /nfs/dbraw/zinc/37/97/84/180379784.db2.gz FKSMYRADPUKAOK-SECBINFHSA-N 1 0 233.319 1.313 10 0 BDAERO Cc1nn(C2CC[NH+](C)CC2)c(N)c1Cl ZINC000043667333 180384133 /nfs/dbraw/zinc/38/41/33/180384133.db2.gz BVERHYYLAQPRRG-UHFFFAOYSA-N 1 0 228.727 1.694 10 0 BDAERO CC(C)(C)c1nc([C@H]2CCC[C@H]2[NH3+])no1 ZINC000409442150 350482028 /nfs/dbraw/zinc/48/20/28/350482028.db2.gz TVCYBAKQHKGTLT-JGVFFNPUSA-N 1 0 209.293 1.962 10 0 BDAERO Cn1nc(-c2cccs2)cc1C(N)=[NH2+] ZINC000409444006 350483268 /nfs/dbraw/zinc/48/32/68/350483268.db2.gz YLBQBVPYDNEDRR-UHFFFAOYSA-N 1 0 206.274 1.433 10 0 BDAERO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC000020350002 180383207 /nfs/dbraw/zinc/38/32/07/180383207.db2.gz FKSMYRADPUKAOK-VIFPVBQESA-N 1 0 233.319 1.313 10 0 BDAERO CC(C)[C@@H]([NH3+])CCN(C)c1ncc(Cl)cn1 ZINC000227739182 350512357 /nfs/dbraw/zinc/51/23/57/350512357.db2.gz OBIFJFOQKYXHMS-JTQLQIEISA-N 1 0 242.754 1.940 10 0 BDAERO Cc1nn(CC[NH+](C)C)c(N)c1Br ZINC000054433464 180387031 /nfs/dbraw/zinc/38/70/31/180387031.db2.gz ZAPCBBMQJZQNBW-UHFFFAOYSA-N 1 0 247.140 1.098 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2C[C@H]2C)C1 ZINC000247396331 538094283 /nfs/dbraw/zinc/09/42/83/538094283.db2.gz QSWRFICFJWZALW-WYUUTHIRSA-N 1 0 224.348 1.487 10 0 BDAERO Cc1nn(C[C@@H]2CCCC[NH2+]2)c(C)c1C ZINC000043494373 180390760 /nfs/dbraw/zinc/39/07/60/180390760.db2.gz HRTYKCQPUXHALC-LBPRGKRZSA-N 1 0 207.321 1.950 10 0 BDAERO COc1cccnc1NC[C@H]1CCC[NH2+]C1 ZINC000159439837 350532953 /nfs/dbraw/zinc/53/29/53/350532953.db2.gz KLOWXDQGYLWOTH-JTQLQIEISA-N 1 0 221.304 1.502 10 0 BDAERO CC1CCC(C[NH2+][C@@H]2COC[C@H]2O)CC1 ZINC000063145300 350573697 /nfs/dbraw/zinc/57/36/97/350573697.db2.gz IUPZIMUWZOBJAX-KIDURHIOSA-N 1 0 213.321 1.162 10 0 BDAERO Cc1nnc(C[C@H](C)[NH3+])n1C1CCCCC1 ZINC000042039500 180419621 /nfs/dbraw/zinc/41/96/21/180419621.db2.gz DBDYJUCGHIQMFR-VIFPVBQESA-N 1 0 222.336 1.981 10 0 BDAERO COCCC[NH2+]CC1(CCOC)CCOCC1 ZINC000725267004 538096684 /nfs/dbraw/zinc/09/66/84/538096684.db2.gz PWYRSDPCGZAVPR-UHFFFAOYSA-N 1 0 245.363 1.446 10 0 BDAERO COCCC[NH2+]CC[C@H](CO)C1CCOCC1 ZINC000725266812 538097129 /nfs/dbraw/zinc/09/71/29/538097129.db2.gz GNAIVUVNYUXHOV-CYBMUJFWSA-N 1 0 245.363 1.038 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2ccccn2)CC1 ZINC000616595658 350610113 /nfs/dbraw/zinc/61/01/13/350610113.db2.gz XHSKFGYIRVIFNS-GFCCVEGCSA-N 1 0 206.289 1.865 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000087538431 535148372 /nfs/dbraw/zinc/14/83/72/535148372.db2.gz TWVBXLBZDWUEFW-XQQFMLRXSA-N 1 0 227.348 1.647 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1cccc(N)c1 ZINC000616597866 350653108 /nfs/dbraw/zinc/65/31/08/350653108.db2.gz UKNGOFMQBPQIID-LBPRGKRZSA-N 1 0 206.289 1.662 10 0 BDAERO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000238855262 180471664 /nfs/dbraw/zinc/47/16/64/180471664.db2.gz RBLSMTXIXHUSJY-UWVGGRQHSA-N 1 0 227.283 1.163 10 0 BDAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cnc[nH]1 ZINC000616598319 350659993 /nfs/dbraw/zinc/65/99/93/350659993.db2.gz WPRVCGVSCWLGQD-NSHDSACASA-N 1 0 223.320 1.972 10 0 BDAERO CC[N@@H+]1CCOCC[C@@H]1c1cccnc1 ZINC000616599859 350761557 /nfs/dbraw/zinc/76/15/57/350761557.db2.gz YACSGAIPAZXOFU-GFCCVEGCSA-N 1 0 206.289 1.865 10 0 BDAERO C[C@@H]1CN(C/C(Cl)=C\Cl)CC[C@H]1[NH3+] ZINC000251897707 362981126 /nfs/dbraw/zinc/98/11/26/362981126.db2.gz WDSDMVOZWLZNLJ-YEPVEMNMSA-N 1 0 223.147 1.975 10 0 BDAERO CSc1ccsc1C(=O)N[C@H]1C[C@H]1[NH3+] ZINC000306673406 350819527 /nfs/dbraw/zinc/81/95/27/350819527.db2.gz NOTIYYMNYSXEPZ-RITPCOANSA-N 1 0 228.342 1.299 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339563602 350766168 /nfs/dbraw/zinc/76/61/68/350766168.db2.gz NGSLPKUPLXJNMA-QJPTWQEYSA-N 1 0 215.337 1.504 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2ccc(CO)cc2)CC1 ZINC000616600272 350779424 /nfs/dbraw/zinc/77/94/24/350779424.db2.gz GPIRNSZDFFBVEB-AWEZNQCLSA-N 1 0 248.370 1.707 10 0 BDAERO COc1cccc(C[C@@H](C[NH3+])N(C)C)c1 ZINC000041217888 350783761 /nfs/dbraw/zinc/78/37/61/350783761.db2.gz JQAJZFZKXBSTRD-NSHDSACASA-N 1 0 208.305 1.127 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1cncc2ccccc21 ZINC000616602667 350788274 /nfs/dbraw/zinc/78/82/74/350788274.db2.gz ATXYZHQQKLHEBD-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO NC(=O)c1ccc([C@@H]2CCC[NH2+]CC2)cc1 ZINC000616602790 350788308 /nfs/dbraw/zinc/78/83/08/350788308.db2.gz QSWGYDRVNCYHDJ-SNVBAGLBSA-N 1 0 218.300 1.643 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2cocn2)CC1 ZINC000616602152 350791064 /nfs/dbraw/zinc/79/10/64/350791064.db2.gz SURFENZJODOSRV-SNVBAGLBSA-N 1 0 210.277 1.236 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2cocn2)CC1 ZINC000616602291 350791157 /nfs/dbraw/zinc/79/11/57/350791157.db2.gz WZNHONMSQAPKJJ-SNVBAGLBSA-N 1 0 209.293 1.203 10 0 BDAERO [NH3+]CCN1CCC[C@H]1c1cc2ccccc2nn1 ZINC000616607061 350799129 /nfs/dbraw/zinc/79/91/29/350799129.db2.gz DKZYSMHXBSYOFQ-AWEZNQCLSA-N 1 0 242.326 1.725 10 0 BDAERO C[N@@H+]1CCC[C@H]1c1ccccc1C(N)=O ZINC000616607604 350801131 /nfs/dbraw/zinc/80/11/31/350801131.db2.gz VRQPDNNKIPVLOF-NSHDSACASA-N 1 0 204.273 1.552 10 0 BDAERO c1n[nH]nc1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000616611297 350810753 /nfs/dbraw/zinc/81/07/53/350810753.db2.gz HIFRQFZGVMEKCR-GFCCVEGCSA-N 1 0 228.299 1.794 10 0 BDAERO CC[C@@H]1CS[C@@]2(CC[C@H](C)[NH2+]C2)N1 ZINC000306685807 350842796 /nfs/dbraw/zinc/84/27/96/350842796.db2.gz JJBMLSWYZUWZGY-IVZWLZJFSA-N 1 0 200.351 1.570 10 0 BDAERO OCC[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000347452253 133835202 /nfs/dbraw/zinc/83/52/02/133835202.db2.gz YULBZRRXCKRQJX-QWHCGFSZSA-N 1 0 227.348 1.650 10 0 BDAERO C[C@H]([NH3+])c1cnnn1Cc1cccs1 ZINC000306702959 350852783 /nfs/dbraw/zinc/85/27/83/350852783.db2.gz IIHOPUQZAUHALX-ZETCQYMHSA-N 1 0 208.290 1.408 10 0 BDAERO Cc1csc([C@@]2([NH3+])CSC[C@@H]2C)n1 ZINC000306709263 350860095 /nfs/dbraw/zinc/86/00/95/350860095.db2.gz QLCLLIWSXKHVJM-IMTBSYHQSA-N 1 0 214.359 1.988 10 0 BDAERO C[C@H]1C[S@](=O)CCN1CC(C)(C)C ZINC000306675203 350826709 /nfs/dbraw/zinc/82/67/09/350826709.db2.gz SCOCOSLROLRUJH-TVQRCGJNSA-N 1 0 203.351 1.485 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H](c2ccccc2C(N)=O)C1 ZINC000616614110 350827864 /nfs/dbraw/zinc/82/78/64/350827864.db2.gz DEDUOAMDOOPRLB-LLVKDONJSA-N 1 0 232.327 1.983 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)C1 ZINC000616620433 350939515 /nfs/dbraw/zinc/93/95/15/350939515.db2.gz JSZAFUOKFLAPKU-GFCCVEGCSA-N 1 0 223.291 1.997 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1[C@H](C)[C@H](C)[NH3+] ZINC000251832064 350905033 /nfs/dbraw/zinc/90/50/33/350905033.db2.gz QBBMKSDBACKGMZ-LMLFDSFASA-N 1 0 200.326 1.221 10 0 BDAERO C[C@H]([NH3+])C1(CCO)C[C@@H](C)O[C@H](C)C1 ZINC000252213587 350910330 /nfs/dbraw/zinc/91/03/30/350910330.db2.gz YSJNLDLFGZHVFT-BBBLOLIVSA-N 1 0 201.310 1.290 10 0 BDAERO CCCN1CC[C@@H]([NH3+])[C@H]1c1cncs1 ZINC000252752510 350914513 /nfs/dbraw/zinc/91/45/13/350914513.db2.gz HKTGWEUICAPQJI-SCZZXKLOSA-N 1 0 211.334 1.627 10 0 BDAERO CC(=O)C[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252873887 350916397 /nfs/dbraw/zinc/91/63/97/350916397.db2.gz PQNHNRAENQMWGB-PDEGPIFNSA-N 1 0 211.305 1.057 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ccc(CO)cc2)C1 ZINC000616619972 350928138 /nfs/dbraw/zinc/92/81/38/350928138.db2.gz DHCUGKRNFMTLLR-CQSZACIVSA-N 1 0 235.327 1.351 10 0 BDAERO COc1ccccc1[C@H]1CCCN(CC[NH3+])C1 ZINC000616619812 350928444 /nfs/dbraw/zinc/92/84/44/350928444.db2.gz AWYKKTNGUVAMLL-LBPRGKRZSA-N 1 0 234.343 1.833 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2nn[nH]n2)C1 ZINC000616620183 350934414 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CC[C@H](C)[NH2+]Cc1cnc2ccnn2c1 ZINC000379930009 351292071 /nfs/dbraw/zinc/29/20/71/351292071.db2.gz NYEKLXADFQUJSR-VIFPVBQESA-N 1 0 204.277 1.617 10 0 BDAERO C[C@]1([C@H]2CC[C@H](C[NH3+])O2)CCCS1 ZINC000306887665 351295241 /nfs/dbraw/zinc/29/52/41/351295241.db2.gz RAHRTZYFMJGZHK-OPRDCNLKSA-N 1 0 201.335 1.778 10 0 BDAERO CC1(C)C[C@@H]([NH3+])CCN(CC(F)F)C1 ZINC000306888496 351295504 /nfs/dbraw/zinc/29/55/04/351295504.db2.gz WEDQOTFXGPTDOZ-QMMMGPOBSA-N 1 0 206.280 1.701 10 0 BDAERO C[C@H]1CN(c2occc2Br)CC[NH2+]1 ZINC000068980783 351310891 /nfs/dbraw/zinc/31/08/91/351310891.db2.gz VXZWPXMJEMIOSK-ZETCQYMHSA-N 1 0 245.120 1.840 10 0 BDAERO [NH3+]C[C@H]1CCN(c2occc2Br)C1 ZINC000068980787 351311271 /nfs/dbraw/zinc/31/12/71/351311271.db2.gz LQFZKWXVJQCYJA-SSDOTTSWSA-N 1 0 245.120 1.827 10 0 BDAERO [NH3+][C@@H]1CCCN(c2occc2Br)C1 ZINC000068980773 351311572 /nfs/dbraw/zinc/31/15/72/351311572.db2.gz QYDNVVSQBCZVHM-SSDOTTSWSA-N 1 0 245.120 1.970 10 0 BDAERO CC1(C)C[C@H](SC(N)=[NH2+])C(C)(C)O1 ZINC000168056684 351275002 /nfs/dbraw/zinc/27/50/02/351275002.db2.gz AAPNKIZAKXLTOG-LURJTMIESA-N 1 0 202.323 1.959 10 0 BDAERO C[C@@H]1[C@H]([NH+](C)C)CCN1c1nsnc1Cl ZINC000306970837 351393810 /nfs/dbraw/zinc/39/38/10/351393810.db2.gz JNJHVPIPDUVFPJ-RNFRBKRXSA-N 1 0 246.767 1.720 10 0 BDAERO C[NH2+][C@H]1CCN([C@@H]2CSC2(C)C)C1 ZINC000306976809 351396409 /nfs/dbraw/zinc/39/64/09/351396409.db2.gz FZHSMWFIPPRKEC-DTWKUNHWSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1nc(C)c([C@@H](O)[C@@H]2C=CC[NH2+]2)s1 ZINC000306979032 351397367 /nfs/dbraw/zinc/39/73/67/351397367.db2.gz BKAGMHJNKREXHL-IUCAKERBSA-N 1 0 210.302 1.321 10 0 BDAERO O[C@H](c1sccc1Cl)C1C[NH2+]C1 ZINC000306985533 351402460 /nfs/dbraw/zinc/40/24/60/351402460.db2.gz WKWWKKVFVSYEQT-ZETCQYMHSA-N 1 0 203.694 1.654 10 0 BDAERO COc1ncc(Cl)c(C(C)(C)C[NH3+])n1 ZINC000306921906 351342245 /nfs/dbraw/zinc/34/22/45/351342245.db2.gz SLVLFEWVMMAGGJ-UHFFFAOYSA-N 1 0 215.684 1.375 10 0 BDAERO CCc1nc(N)nc(NCc2ccccc2)n1 ZINC000306986157 351403397 /nfs/dbraw/zinc/40/33/97/351403397.db2.gz XDTRDQQRTAVLQM-UHFFFAOYSA-N 1 0 229.287 1.628 10 0 BDAERO CCCC[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000034936784 351350193 /nfs/dbraw/zinc/35/01/93/351350193.db2.gz GCZAWRZMRMQDQF-LLVKDONJSA-N 1 0 212.337 1.777 10 0 BDAERO O=C(C[NH2+][C@@H]1CCc2c1cccc2O)NC1CC1 ZINC000036852815 358463434 /nfs/dbraw/zinc/46/34/34/358463434.db2.gz DIFBNHNCEQQNAH-GFCCVEGCSA-N 1 0 246.310 1.248 10 0 BDAERO C[C@H]1C[NH2+]C2(C[C@@H](C)O[C@H](C)C2)S1 ZINC000133633888 351426496 /nfs/dbraw/zinc/42/64/96/351426496.db2.gz IELPHKVJGBETFR-HLTSFMKQSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@H]1CSC(NCc2cncn2C)=[NH+]1 ZINC000307027235 351435364 /nfs/dbraw/zinc/43/53/64/351435364.db2.gz ZPJWHSTZVUUVGQ-ZETCQYMHSA-N 1 0 210.306 1.001 10 0 BDAERO COc1nc(C(=O)[C@]2(C)CCC[NH2+]2)cs1 ZINC000307040238 351437916 /nfs/dbraw/zinc/43/79/16/351437916.db2.gz LWPFTCHUVZTIKH-JTQLQIEISA-N 1 0 226.301 1.477 10 0 BDAERO BrC1=CCCN(C2CC[NH2+]CC2)C1 ZINC000404438038 351449847 /nfs/dbraw/zinc/44/98/47/351449847.db2.gz VJYBUPGEKHCUOG-UHFFFAOYSA-N 1 0 245.164 1.723 10 0 BDAERO CC(C)[C@@H]1[C@@H](C)[NH2+]C(C)(C)C[S@]1=O ZINC000307056948 351456210 /nfs/dbraw/zinc/45/62/10/351456210.db2.gz DWZUVTVZBNDIRF-JRKPZEMJSA-N 1 0 203.351 1.530 10 0 BDAERO C[C@@H]([NH3+])c1nc2c[nH]cc(Br)c-2n1 ZINC000307058965 351458103 /nfs/dbraw/zinc/45/81/03/351458103.db2.gz MGXZSNDQRHIEGU-SCSAIBSYSA-N 1 0 241.092 1.740 10 0 BDAERO [NH3+]CC1(c2ncc(Br)cn2)CCC1 ZINC000307058522 351458430 /nfs/dbraw/zinc/45/84/30/351458430.db2.gz GIWAWJFTSORXHT-UHFFFAOYSA-N 1 0 242.120 1.620 10 0 BDAERO C[C@H]1SCC[C@@H]1[NH2+][C@H]1CC[C@@H](O)C1 ZINC000306994519 351410999 /nfs/dbraw/zinc/41/09/99/351410999.db2.gz NTKTURSUWKLBBX-RGOKHQFPSA-N 1 0 201.335 1.383 10 0 BDAERO CC[C@H](O)C[N@H+]1[C@H](C)CSC[C@@H]1C ZINC000307005812 351415283 /nfs/dbraw/zinc/41/52/83/351415283.db2.gz FIUURNVGUCKOJU-AEJSXWLSSA-N 1 0 203.351 1.583 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1N1CCSCC1 ZINC000307009517 351416561 /nfs/dbraw/zinc/41/65/61/351416561.db2.gz INBUYJAGTQWDOS-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO CC(C)[C@H]1[C@H](C)[NH2+][C@H](C)CC[S@]1=O ZINC000307131368 351496034 /nfs/dbraw/zinc/49/60/34/351496034.db2.gz ZZVMDEJZACVFJA-KEPMVKOISA-N 1 0 203.351 1.530 10 0 BDAERO Clc1ccnc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000095070150 180596562 /nfs/dbraw/zinc/59/65/62/180596562.db2.gz JUYXPWNBKBPRBN-MRVPVSSYSA-N 1 0 226.711 1.684 10 0 BDAERO [NH3+][C@@H](Cc1ncc[nH]1)C1CC(F)(F)C1 ZINC000307147030 351499445 /nfs/dbraw/zinc/49/94/45/351499445.db2.gz HOMLNUUNWXPEQL-ZETCQYMHSA-N 1 0 201.220 1.325 10 0 BDAERO Cc1cnc(Cl)nc1O[C@H]1CC[N@@H+](C)C1 ZINC000307141075 351500178 /nfs/dbraw/zinc/50/01/78/351500178.db2.gz CZRFXQOEKBFETA-QMMMGPOBSA-N 1 0 227.695 1.521 10 0 BDAERO [NH3+]CC1(N2CCC=C(Br)C2)CC1 ZINC000404550026 351503122 /nfs/dbraw/zinc/50/31/22/351503122.db2.gz OZMZYDLLJRUADD-UHFFFAOYSA-N 1 0 231.137 1.462 10 0 BDAERO Clc1nccc(CNC[C@@H]2CCC[NH2+]C2)n1 ZINC000095070138 180602015 /nfs/dbraw/zinc/60/20/15/180602015.db2.gz HKGYMIDMXSFBAG-SECBINFHSA-N 1 0 240.738 1.219 10 0 BDAERO C[C@H]1[C@@H](NC=O)CC[N@@H+]1Cc1ccccc1 ZINC000307153740 351506677 /nfs/dbraw/zinc/50/66/77/351506677.db2.gz KETKYSYPIZNJKR-AAEUAGOBSA-N 1 0 218.300 1.395 10 0 BDAERO Clc1ncc(CN[C@@H]2CC[NH2+]C2)s1 ZINC000095070191 180601451 /nfs/dbraw/zinc/60/14/51/180601451.db2.gz JJWWLDVFHIWURB-ZCFIWIBFSA-N 1 0 217.725 1.248 10 0 BDAERO [NH3+]CC(=O)Cc1ccsc1Br ZINC000307159227 351509696 /nfs/dbraw/zinc/50/96/96/351509696.db2.gz UERQQCGRSWSVKZ-UHFFFAOYSA-N 1 0 234.118 1.581 10 0 BDAERO OCC[N@H+](CC[C@@H]1CO1)Cc1ccccc1 ZINC000307159425 351511761 /nfs/dbraw/zinc/51/17/61/351511761.db2.gz CGFZWVWBFLXDGF-CYBMUJFWSA-N 1 0 221.300 1.270 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCCN1Cc1nccs1 ZINC000307090645 351472270 /nfs/dbraw/zinc/47/22/70/351472270.db2.gz WOOZYMQKGAUXFB-RKDXNWHRSA-N 1 0 211.334 1.455 10 0 BDAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]CCF ZINC000307107690 351483747 /nfs/dbraw/zinc/48/37/47/351483747.db2.gz FWYIFSUBIPWVFM-DTWKUNHWSA-N 1 0 234.315 1.847 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2CS[C@H](C)C2)S1 ZINC000307124932 351491410 /nfs/dbraw/zinc/49/14/10/351491410.db2.gz SNBAFOCTZDULPI-PRJMDXOYSA-N 1 0 216.375 1.961 10 0 BDAERO Clc1nccnc1NCC1CC[NH2+]CC1 ZINC000073737299 180603797 /nfs/dbraw/zinc/60/37/97/180603797.db2.gz DJFMLPIZHLWYMJ-UHFFFAOYSA-N 1 0 226.711 1.542 10 0 BDAERO Clc1nccnc1N[C@H]1CCC[NH2+]C1 ZINC000073737314 180603930 /nfs/dbraw/zinc/60/39/30/180603930.db2.gz ZEAUGERTQPJQOX-ZETCQYMHSA-N 1 0 212.684 1.294 10 0 BDAERO CC[C@@H](C)S(=O)(=O)[C@@H]1CCC[NH2+]CC1 ZINC000300854149 363067921 /nfs/dbraw/zinc/06/79/21/363067921.db2.gz OCXWLMDYBJSURA-NXEZZACHSA-N 1 0 219.350 1.342 10 0 BDAERO C[C@H]1CCSC(N[C@H]2CCOC2)=[NH+]1 ZINC000133721341 351579699 /nfs/dbraw/zinc/57/96/99/351579699.db2.gz NTIQNHSCVQMOLO-YUMQZZPRSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CCS[C@@H](C)CC1 ZINC000307206784 351610136 /nfs/dbraw/zinc/61/01/36/351610136.db2.gz IVZUCRBBBNCAIC-YUMQZZPRSA-N 1 0 218.391 1.488 10 0 BDAERO C[C@@H]1C[C@H](N2CC[C@H]([NH3+])[C@@H]2C)CS1 ZINC000307223027 351649329 /nfs/dbraw/zinc/64/93/29/351649329.db2.gz JUYJBQGKULWCFH-KATARQTJSA-N 1 0 200.351 1.302 10 0 BDAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCC12CC2 ZINC000637815777 351655049 /nfs/dbraw/zinc/65/50/49/351655049.db2.gz WEOQGIAMKPKUJZ-ZGVCCVRISA-N 1 0 248.370 1.966 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1ccncc1Br ZINC000307231413 351686440 /nfs/dbraw/zinc/68/64/40/351686440.db2.gz BKDWMZUYOMAIPZ-BQBZGAKWSA-N 1 0 244.136 1.992 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)C1CC1 ZINC000336732860 351701382 /nfs/dbraw/zinc/70/13/82/351701382.db2.gz JPQKSOGFQVJMOB-GHMZBOCLSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]1CSC[C@@]1(CN)[N@H+](C)C(C)(C)C ZINC000307236932 351724900 /nfs/dbraw/zinc/72/49/00/351724900.db2.gz OEAUVZOOYJIUJT-MWLCHTKSSA-N 1 0 216.394 1.797 10 0 BDAERO CS[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 ZINC000307253204 351784098 /nfs/dbraw/zinc/78/40/98/351784098.db2.gz UUGSFUIBMVXFIU-GMTAPVOTSA-N 1 0 214.378 1.551 10 0 BDAERO O=C(Cc1sccc1Cl)[C@H]1COCCN1 ZINC000307255288 351791331 /nfs/dbraw/zinc/79/13/31/351791331.db2.gz AMFAELJBKJHOFD-MRVPVSSYSA-N 1 0 245.731 1.502 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H](Nc2nncs2)C1 ZINC000307256767 351792903 /nfs/dbraw/zinc/79/29/03/351792903.db2.gz AUSYOIOHEHUVGF-HTQZYQBOSA-N 1 0 212.322 1.468 10 0 BDAERO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000637884904 351754130 /nfs/dbraw/zinc/75/41/30/351754130.db2.gz HTWPIIIIZNBMNV-IUCAKERBSA-N 1 0 226.345 1.923 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[C@H]2C[C@H]2[C@@H]([NH3+])C1 ZINC000725269300 538101332 /nfs/dbraw/zinc/10/13/32/538101332.db2.gz PIQKERMPNPZCQG-JLIMGVALSA-N 1 0 211.305 1.702 10 0 BDAERO Cn1cc(COc2ccc(C[NH3+])cc2)cn1 ZINC000020352268 180653501 /nfs/dbraw/zinc/65/35/01/180653501.db2.gz GTEIFLZSHPYKIM-UHFFFAOYSA-N 1 0 217.272 1.458 10 0 BDAERO Cn1cc(C[C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000050540851 180654329 /nfs/dbraw/zinc/65/43/29/180654329.db2.gz LOEZLOILWJXMCC-VXGBXAGGSA-N 1 0 207.321 1.870 10 0 BDAERO c1c[nH]c(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1 ZINC000725269199 538101573 /nfs/dbraw/zinc/10/15/73/538101573.db2.gz FWCNJYNKHLPRLA-NEPJUHHUSA-N 1 0 206.289 1.529 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638037013 351919085 /nfs/dbraw/zinc/91/90/85/351919085.db2.gz DSBPVCJNNOHWFO-MNOVXSKESA-N 1 0 210.321 1.291 10 0 BDAERO CC(C)=CC(=O)N1CCC[N@@H+](C)C[C@H]1C ZINC000300881149 363098395 /nfs/dbraw/zinc/09/83/95/363098395.db2.gz ZJCXNRMDYVLMGW-LLVKDONJSA-N 1 0 210.321 1.505 10 0 BDAERO CC(C)[C@@H](C)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000725269903 538101729 /nfs/dbraw/zinc/10/17/29/538101729.db2.gz RXQYJNDVCURJLQ-NEPJUHHUSA-N 1 0 226.364 1.927 10 0 BDAERO Cn1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250614402 180661865 /nfs/dbraw/zinc/66/18/65/180661865.db2.gz AXBXMJNYUNAOFW-PWSUYJOCSA-N 1 0 220.320 1.459 10 0 BDAERO C[C@@H](Nc1ncncc1Cl)[C@H](C)[NH3+] ZINC000307316237 351991331 /nfs/dbraw/zinc/99/13/31/351991331.db2.gz JKNYTJXWKSJXJU-NTSWFWBYSA-N 1 0 200.673 1.278 10 0 BDAERO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CS1 ZINC000307332167 352048024 /nfs/dbraw/zinc/04/80/24/352048024.db2.gz CEBWICPIKXPZKB-OPRDCNLKSA-N 1 0 200.351 1.222 10 0 BDAERO CC1(C)SC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000307326662 352019654 /nfs/dbraw/zinc/01/96/54/352019654.db2.gz JEDWYOPFOKEMOD-RKDXNWHRSA-N 1 0 200.351 1.222 10 0 BDAERO C[NH2+]C1(C(=O)c2ccn(C)n2)CCCC1 ZINC000307329630 352031583 /nfs/dbraw/zinc/03/15/83/352031583.db2.gz MDZAVOUCBQNUAS-UHFFFAOYSA-N 1 0 207.277 1.135 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)C1CCC=CCC1 ZINC000638222516 352082009 /nfs/dbraw/zinc/08/20/09/352082009.db2.gz VDCVWGHSSBDDMK-JTQLQIEISA-N 1 0 210.321 1.457 10 0 BDAERO Nc1ncccc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000725270059 538102022 /nfs/dbraw/zinc/10/20/22/538102022.db2.gz WNVDLBALAIRCBV-RYUDHWBXSA-N 1 0 233.315 1.178 10 0 BDAERO Cn1cc(C(F)F)c(C2CC[NH2+]CC2)n1 ZINC000725270419 538102146 /nfs/dbraw/zinc/10/21/46/538102146.db2.gz MSBIKFMBYMXZLW-UHFFFAOYSA-N 1 0 215.247 1.825 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@H]1[NH3+] ZINC000638330982 352149139 /nfs/dbraw/zinc/14/91/39/352149139.db2.gz IYQIQSYDBLLAOL-OUAUKWLOSA-N 1 0 222.332 1.372 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CS1 ZINC000252128138 363130097 /nfs/dbraw/zinc/13/00/97/363130097.db2.gz LRPSOEHPTQAPRL-VPOLOUISSA-N 1 0 215.362 1.774 10 0 BDAERO CCOC(=O)C[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037362370 363154953 /nfs/dbraw/zinc/15/49/53/363154953.db2.gz CPMSDCMZKCFMKF-LLVKDONJSA-N 1 0 235.283 1.575 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1ncnc2[nH]ccc21 ZINC000420200926 192174953 /nfs/dbraw/zinc/17/49/53/192174953.db2.gz GXLCCFCLXFJKJU-VIFPVBQESA-N 1 0 233.319 1.887 10 0 BDAERO O=[S@](c1ccccc1Cl)C1C[NH2+]C1 ZINC000307355575 352323893 /nfs/dbraw/zinc/32/38/93/352323893.db2.gz VFHQQJYTYSKGDA-ZDUSSCGKSA-N 1 0 215.705 1.419 10 0 BDAERO COCCC[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271494 538103350 /nfs/dbraw/zinc/10/33/50/538103350.db2.gz NVNXBOZBRVUKOC-LOWDOPEQSA-N 1 0 225.332 1.570 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC[C@@H]2CC=CCC2)C1 ZINC000638602384 352438437 /nfs/dbraw/zinc/43/84/37/352438437.db2.gz WYZQLNINEJMEHO-FRRDWIJNSA-N 1 0 236.359 1.976 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC[C@H]2CC=CCC2)C1 ZINC000638602544 352438662 /nfs/dbraw/zinc/43/86/62/352438662.db2.gz WYZQLNINEJMEHO-YNEHKIRRSA-N 1 0 236.359 1.976 10 0 BDAERO Cn1ccnc1COc1ccc(C[NH3+])cc1 ZINC000031977854 180750768 /nfs/dbraw/zinc/75/07/68/180750768.db2.gz NYHYGKLOWDCDFQ-UHFFFAOYSA-N 1 0 217.272 1.458 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000725271773 538103828 /nfs/dbraw/zinc/10/38/28/538103828.db2.gz SHZFFOVHKPPBLA-SRVKXCTJSA-N 1 0 226.364 1.866 10 0 BDAERO C[C@@H]1CNCC[N@@H+]1[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271982 538103898 /nfs/dbraw/zinc/10/38/98/538103898.db2.gz XNHQVISHWSSWMF-ITGHMWBKSA-N 1 0 236.359 1.238 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC(F)(F)C[C@H]1C ZINC000638631958 352471844 /nfs/dbraw/zinc/47/18/44/352471844.db2.gz VDWWFIRJHRMTOF-BDAKNGLRSA-N 1 0 234.290 1.760 10 0 BDAERO O[C@@H](c1sccc1Cl)[C@@H]1C=CC[NH2+]1 ZINC000307389484 352546812 /nfs/dbraw/zinc/54/68/12/352546812.db2.gz QVEJNUDQHQRBBE-JGVFFNPUSA-N 1 0 215.705 1.963 10 0 BDAERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[NH2+]1 ZINC000638653351 352494783 /nfs/dbraw/zinc/49/47/83/352494783.db2.gz XJTVSDNVVVVMCL-ZIQFBCGOSA-N 1 0 222.332 1.289 10 0 BDAERO Cn1ccnc1SCc1cccc(C(N)=[NH2+])c1 ZINC000019847996 180753641 /nfs/dbraw/zinc/75/36/41/180753641.db2.gz TXOGBDQUKGXCOZ-UHFFFAOYSA-N 1 0 246.339 1.996 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2cnnc(Cl)c2)C1 ZINC000229124373 352591221 /nfs/dbraw/zinc/59/12/21/352591221.db2.gz FSDXVYKYBYKJAV-MRVPVSSYSA-N 1 0 226.711 1.636 10 0 BDAERO CC1(C)[C@@H]([NH3+])C[C@]1(O)C(F)(F)Br ZINC000404858227 352593953 /nfs/dbraw/zinc/59/39/53/352593953.db2.gz SYRVTOGCAAZZHG-UJURSFKZSA-N 1 0 244.079 1.462 10 0 BDAERO Cc1nnsc1C[C@]1(C[NH3+])CCCS1 ZINC000307434160 352594205 /nfs/dbraw/zinc/59/42/05/352594205.db2.gz QTTNBOSWHDVHEE-VIFPVBQESA-N 1 0 229.374 1.614 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@H]1C(=O)C1CCOCC1 ZINC000307445172 352601503 /nfs/dbraw/zinc/60/15/03/352601503.db2.gz VEUNOPNRLNEMGB-MWLCHTKSSA-N 1 0 211.305 1.228 10 0 BDAERO [NH3+]CC[C@@H](O)c1nscc1Br ZINC000404870111 352602304 /nfs/dbraw/zinc/60/23/04/352602304.db2.gz TZSZKOUXCNRUPR-RXMQYKEDSA-N 1 0 237.122 1.288 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H](Nc2ncns2)C1 ZINC000307460715 352609521 /nfs/dbraw/zinc/60/95/21/352609521.db2.gz FFLCGGDKEHDXQP-YUMQZZPRSA-N 1 0 212.322 1.468 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)NCc1ccccc1 ZINC000232306605 352611775 /nfs/dbraw/zinc/61/17/75/352611775.db2.gz FDENSKRCGWYQDP-TXEJJXNPSA-N 1 0 247.342 1.578 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C2CSC2)C1 ZINC000307466951 352616087 /nfs/dbraw/zinc/61/60/87/352616087.db2.gz KGGZYYHLRBLVDA-BDAKNGLRSA-N 1 0 200.351 1.161 10 0 BDAERO O=[S@@](c1cccs1)[C@H]1CC[NH2+]C1 ZINC000307467687 352616744 /nfs/dbraw/zinc/61/67/44/352616744.db2.gz PXPRNLJTEZPGPF-JVXZTZIISA-N 1 0 201.316 1.218 10 0 BDAERO CN1c2ccccc2C[C@H]([C@@H]2CCC[NH2+]2)C1=O ZINC000498035914 352568502 /nfs/dbraw/zinc/56/85/02/352568502.db2.gz ZFWWNYPWGYHNBS-NEPJUHHUSA-N 1 0 230.311 1.574 10 0 BDAERO Cc1c(F)c([C@@](C)(O)C[NH3+])ccc1Cl ZINC000307398913 352571384 /nfs/dbraw/zinc/57/13/84/352571384.db2.gz ZNWYPQPKYAVVTD-JTQLQIEISA-N 1 0 217.671 1.954 10 0 BDAERO CC1(C)CN([C@@]2(C[NH3+])CCSC2)C1 ZINC000307405158 352580782 /nfs/dbraw/zinc/58/07/82/352580782.db2.gz JQRYYNQODLFHDO-SNVBAGLBSA-N 1 0 200.351 1.163 10 0 BDAERO C[C@@H]1CC[NH2+][C@]2(CCOC[C@@H]2C)S1 ZINC000300980385 352582168 /nfs/dbraw/zinc/58/21/68/352582168.db2.gz ICKLGNCQVVTGOC-IVZWLZJFSA-N 1 0 201.335 1.854 10 0 BDAERO [NH3+]C[C@@H]1CCCCN(c2nncs2)C1 ZINC000307534433 352639899 /nfs/dbraw/zinc/63/98/99/352639899.db2.gz PQFAHLPVZRIJKM-QMMMGPOBSA-N 1 0 212.322 1.103 10 0 BDAERO CC(C)CCNc1cc2n(n1)CCC[NH2+]C2 ZINC000725273940 538104754 /nfs/dbraw/zinc/10/47/54/538104754.db2.gz WREZIOHFUAZXBE-UHFFFAOYSA-N 1 0 222.336 1.834 10 0 BDAERO C[C@H](C[NH3+])Nc1ccc(O)c(Cl)c1 ZINC000232392259 352649569 /nfs/dbraw/zinc/64/95/69/352649569.db2.gz ODUGMJOWTODPGQ-ZCFIWIBFSA-N 1 0 200.669 1.805 10 0 BDAERO CC(C)([NH3+])CNc1ccnc(Cl)n1 ZINC000307575393 352659012 /nfs/dbraw/zinc/65/90/12/352659012.db2.gz IRBREZDRSDINSD-UHFFFAOYSA-N 1 0 200.673 1.279 10 0 BDAERO C[C@H]1C[C@@H](CNC(=O)C(F)(F)F)CC[NH2+]1 ZINC000307599705 352666191 /nfs/dbraw/zinc/66/61/91/352666191.db2.gz RJJGUIMRXYRBQH-BQBZGAKWSA-N 1 0 224.226 1.053 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(C)cc(O)c1 ZINC000638757088 352688036 /nfs/dbraw/zinc/68/80/36/352688036.db2.gz NQLLTHIJJXKVEO-MRVPVSSYSA-N 1 0 208.261 1.247 10 0 BDAERO Cn1cnnc1[C@H]([NH3+])Cc1ccccc1 ZINC000054497486 180798737 /nfs/dbraw/zinc/79/87/37/180798737.db2.gz AQRKEDSOSYOUJO-SNVBAGLBSA-N 1 0 202.261 1.058 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C[S@@](=O)C2CCCC2)C1 ZINC000307685892 352850786 /nfs/dbraw/zinc/85/07/86/352850786.db2.gz ATZXIXZAEBLCFI-IMSIIYSGSA-N 1 0 215.362 1.805 10 0 BDAERO COc1ncc([C@@H](F)C(C)(C)[NH3+])s1 ZINC000307684464 352862942 /nfs/dbraw/zinc/86/29/42/352862942.db2.gz VWJOGXOQJYDYAR-ZCFIWIBFSA-N 1 0 204.270 1.900 10 0 BDAERO COc1ncc([C@H](F)C(C)(C)[NH3+])s1 ZINC000307684463 352863313 /nfs/dbraw/zinc/86/33/13/352863313.db2.gz VWJOGXOQJYDYAR-LURJTMIESA-N 1 0 204.270 1.900 10 0 BDAERO C1CC2(C1)[C@H]([NH2+]C1CCOCC1)[C@H]1CCO[C@@H]12 ZINC000121338718 187900704 /nfs/dbraw/zinc/90/07/04/187900704.db2.gz MMZAQNUBXVOBSA-UPJWGTAASA-N 1 0 237.343 1.713 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(C#N)c1 ZINC000383409614 352932282 /nfs/dbraw/zinc/93/22/82/352932282.db2.gz SVDJHCUEMFSLTN-JOYOIKCWSA-N 1 0 229.283 1.120 10 0 BDAERO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000092056085 538106023 /nfs/dbraw/zinc/10/60/23/538106023.db2.gz XYYDFTBTPMVVPW-MGPQQGTHSA-N 1 0 240.391 1.875 10 0 BDAERO COCc1cc(NC[C@@H]2CCC[NH2+]C2)ncn1 ZINC000045954938 187910762 /nfs/dbraw/zinc/91/07/62/187910762.db2.gz VKEILTPWNWZBBU-SNVBAGLBSA-N 1 0 236.319 1.035 10 0 BDAERO COCC[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000052810550 352983304 /nfs/dbraw/zinc/98/33/04/352983304.db2.gz AXGXXMXZNILRSV-CYBMUJFWSA-N 1 0 222.332 1.482 10 0 BDAERO C[C@@H](NC1=[NH+]C[C@@H](C)N1)c1nccs1 ZINC000307692017 352937648 /nfs/dbraw/zinc/93/76/48/352937648.db2.gz QQFVIVRWPZTCBL-RNFRBKRXSA-N 1 0 210.306 1.141 10 0 BDAERO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCn2cncn2)o1 ZINC000299369066 187922324 /nfs/dbraw/zinc/92/23/24/187922324.db2.gz YFBJXKUKAGUKLD-CMPLNLGQSA-N 1 0 246.314 1.784 10 0 BDAERO Cn1ncc2c1ncnc2N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050660 180823108 /nfs/dbraw/zinc/82/31/08/180823108.db2.gz SRQOBIBGLDUORS-NXEZZACHSA-N 1 0 246.318 1.045 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCCC12CC2 ZINC000638830572 353009619 /nfs/dbraw/zinc/00/96/19/353009619.db2.gz FEHVLQTUEIILBE-MNOVXSKESA-N 1 0 224.348 1.809 10 0 BDAERO CC(C)C[C@@H](C)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037807243 187940483 /nfs/dbraw/zinc/94/04/83/187940483.db2.gz JRYBKNMRVGPQKT-VXGBXAGGSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1C[NH3+] ZINC000638898992 353061597 /nfs/dbraw/zinc/06/15/97/353061597.db2.gz OJFWNBKHUPNUES-CABZTGNLSA-N 1 0 236.359 1.476 10 0 BDAERO C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1C[NH3+] ZINC000638901436 353062893 /nfs/dbraw/zinc/06/28/93/353062893.db2.gz JYQMRANGGWVPAK-PWSUYJOCSA-N 1 0 236.359 1.620 10 0 BDAERO Cn1ncc(C[C@H]([NH3+])c2ccsc2)n1 ZINC000307314931 353068124 /nfs/dbraw/zinc/06/81/24/353068124.db2.gz LNXDZQRKDXQKIJ-VIFPVBQESA-N 1 0 208.290 1.119 10 0 BDAERO C[NH2+]Cc1cnn(-c2cc(C)ccn2)c1C ZINC000043671311 187949067 /nfs/dbraw/zinc/94/90/67/187949067.db2.gz VKVASBXLJDPSDS-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1C[NH3+] ZINC000638910396 353070892 /nfs/dbraw/zinc/07/08/92/353070892.db2.gz FAACVLLNWYBSAY-GHMZBOCLSA-N 1 0 226.364 1.866 10 0 BDAERO CN(c1ccc(C[NH3+])cc1)c1ncccn1 ZINC000061950753 187957068 /nfs/dbraw/zinc/95/70/68/187957068.db2.gz DLJKYMKVCSETDV-UHFFFAOYSA-N 1 0 214.272 1.703 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000638887596 353049622 /nfs/dbraw/zinc/04/96/22/353049622.db2.gz WEISELTYAXRFRD-WCQYABFASA-N 1 0 232.327 1.662 10 0 BDAERO C[C@@H]1CN(C(=O)CC2CCCC2)C[C@@H]1C[NH3+] ZINC000638888313 353050100 /nfs/dbraw/zinc/05/01/00/353050100.db2.gz XKPYWQFEHIEZJO-PWSUYJOCSA-N 1 0 224.348 1.620 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000638884470 353051638 /nfs/dbraw/zinc/05/16/38/353051638.db2.gz HYDNLCVKOYOXJX-OLZOCXBDSA-N 1 0 246.354 1.970 10 0 BDAERO C[C@H]1CN(C(=O)COc2ccccc2)C[C@H]1C[NH3+] ZINC000638888906 353051912 /nfs/dbraw/zinc/05/19/12/353051912.db2.gz YMGVORGYCHMLSB-NWDGAFQWSA-N 1 0 248.326 1.119 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000638884897 353052077 /nfs/dbraw/zinc/05/20/77/353052077.db2.gz GSBHWHWGPFRRNN-WPRPVWTQSA-N 1 0 222.288 1.255 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000638886735 353053570 /nfs/dbraw/zinc/05/35/70/353053570.db2.gz RXVQXYRQHLQLEY-TZMCWYRMSA-N 1 0 246.354 1.970 10 0 BDAERO Cc1ccncc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638888979 353054127 /nfs/dbraw/zinc/05/41/27/353054127.db2.gz BTEORKTWEUGMPR-WDEREUQCSA-N 1 0 233.315 1.057 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@@H]1C[NH3+] ZINC000638893274 353054622 /nfs/dbraw/zinc/05/46/22/353054622.db2.gz YKQCZRFEMUPUCQ-FHUSYTEZSA-N 1 0 236.359 1.476 10 0 BDAERO CS(C)(=O)=NC[C@H]1CCCCC[NH2+]1 ZINC000307121704 353056088 /nfs/dbraw/zinc/05/60/88/353056088.db2.gz JYZHGWYKYPTVLL-SECBINFHSA-N 1 0 204.339 1.246 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1CCC([NH3+])CC1 ZINC000236628891 187976115 /nfs/dbraw/zinc/97/61/15/187976115.db2.gz BBKNPLZORXDMHH-SNVBAGLBSA-N 1 0 212.337 1.618 10 0 BDAERO C[C@H](C[NH3+])CNc1cc(F)cc(F)c1 ZINC000307568011 353085002 /nfs/dbraw/zinc/08/50/02/353085002.db2.gz SCFUWMNABSFHRB-SSDOTTSWSA-N 1 0 200.232 1.972 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000307596132 353086787 /nfs/dbraw/zinc/08/67/87/353086787.db2.gz LPNZGAMQYOJTNE-DBIOUOCHSA-N 1 0 215.362 1.631 10 0 BDAERO CC(C)C[C@H]1[NH2+]CC[C@H]1c1cnn(C)c1 ZINC000054928979 188007499 /nfs/dbraw/zinc/00/74/99/188007499.db2.gz ILSGHAUYRCCVSR-NWDGAFQWSA-N 1 0 207.321 1.912 10 0 BDAERO CC(C)C[C@](C)(C[NH3+])N1CCCOCC1 ZINC000061916644 188013885 /nfs/dbraw/zinc/01/38/85/188013885.db2.gz NNRDMRWVRWADFZ-GFCCVEGCSA-N 1 0 214.353 1.472 10 0 BDAERO CC(C)=CCC/C(C)=C/C(=O)NCC[NH3+] ZINC000095585416 188016085 /nfs/dbraw/zinc/01/60/85/188016085.db2.gz AYXJXRGVIQNJNZ-PKNBQFBNSA-N 1 0 210.321 1.754 10 0 BDAERO COc1ncc([C@]2(F)CC[C@H]([NH3+])C2)s1 ZINC000307755549 353130132 /nfs/dbraw/zinc/13/01/32/353130132.db2.gz DXBCUAPCESLQMK-RCOVLWMOSA-N 1 0 216.281 1.828 10 0 BDAERO CC(C)([NH3+])[C@H](O)c1ncc(Cl)s1 ZINC000223098931 353135111 /nfs/dbraw/zinc/13/51/11/353135111.db2.gz XVXHEQPPRTXKCZ-RXMQYKEDSA-N 1 0 206.698 1.567 10 0 BDAERO Cc1nc([C@@H]([NH3+])[C@@H]2CSCCO2)cs1 ZINC000307735685 353120717 /nfs/dbraw/zinc/12/07/17/353120717.db2.gz QVUABVOXVBQHHH-DTWKUNHWSA-N 1 0 230.358 1.583 10 0 BDAERO C[C@H]1C[C@@H](C[NH3+])CN1c1ncnc2[nH]ccc21 ZINC000420223219 192178975 /nfs/dbraw/zinc/17/89/75/192178975.db2.gz ZSIOYMCZQGQCOI-IUCAKERBSA-N 1 0 231.303 1.131 10 0 BDAERO CN(C)c1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000036906706 363208162 /nfs/dbraw/zinc/20/81/62/363208162.db2.gz IASZBQFFUGGWAY-GFCCVEGCSA-N 1 0 247.342 1.234 10 0 BDAERO Cn1ncnc1SC[C@@H]1CCCC[NH2+]1 ZINC000127985119 353279346 /nfs/dbraw/zinc/27/93/46/353279346.db2.gz XIULDHZNUVQIAK-QMMMGPOBSA-N 1 0 212.322 1.049 10 0 BDAERO OC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000311154549 538113032 /nfs/dbraw/zinc/11/30/32/538113032.db2.gz WTPATPSFYYZQPK-SNPRPXQTSA-N 1 0 249.354 1.861 10 0 BDAERO C[NH2+][C@@H]1CC[C@H](Sc2ncnn2C)C1 ZINC000128102087 353282650 /nfs/dbraw/zinc/28/26/50/353282650.db2.gz BCVACTSKASXTCF-SFYZADRCSA-N 1 0 212.322 1.048 10 0 BDAERO Cc1ccncc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000135450537 538115337 /nfs/dbraw/zinc/11/53/37/538115337.db2.gz QMKZOAVALVNCEO-STQMWFEESA-N 1 0 220.316 1.783 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000226379648 538115831 /nfs/dbraw/zinc/11/58/31/538115831.db2.gz FVDPRFQPNVBOSJ-NSHDSACASA-N 1 0 212.337 1.097 10 0 BDAERO CC(C)[S@@](=O)[C@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000252211978 363219761 /nfs/dbraw/zinc/21/97/61/363219761.db2.gz YIUMPUNJMIDKFT-KEPMVKOISA-N 1 0 203.351 1.659 10 0 BDAERO C[C@@H]1CC[C@H](O[C@@H]2CCSC2)C[NH2+]1 ZINC000405443291 353420111 /nfs/dbraw/zinc/42/01/11/353420111.db2.gz VYCFBLLLAOQPNO-KXUCPTDWSA-N 1 0 201.335 1.649 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H](C)COC(C)C)C1 ZINC000336774978 353429069 /nfs/dbraw/zinc/42/90/69/353429069.db2.gz XRHZJXMVYQQRST-QWHCGFSZSA-N 1 0 228.380 1.874 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@H](C)COC(C)C)C1 ZINC000336774976 353429336 /nfs/dbraw/zinc/42/93/36/353429336.db2.gz XRHZJXMVYQQRST-CHWSQXEVSA-N 1 0 228.380 1.874 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1O[C@@H]1CCSC1 ZINC000405452816 353490881 /nfs/dbraw/zinc/49/08/81/353490881.db2.gz YBFXLHOZVWZCSG-OPRDCNLKSA-N 1 0 201.335 1.778 10 0 BDAERO Fc1cccc2c1C[C@@H](C[C@@H]1C[NH+]=CN1)C2 ZINC000013862118 181007235 /nfs/dbraw/zinc/00/72/35/181007235.db2.gz LQJGPTUEUKGVLC-MWLCHTKSSA-N 1 0 218.275 1.931 10 0 BDAERO N#Cc1cnccc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000399056385 353745430 /nfs/dbraw/zinc/74/54/30/353745430.db2.gz XHFPWVUGIMAXRD-JSGCOSHPSA-N 1 0 242.326 1.518 10 0 BDAERO Fc1cccnc1OC[C@H]1CCC[NH2+]C1 ZINC000054701252 181017207 /nfs/dbraw/zinc/01/72/07/181017207.db2.gz YVGMBJLTPBBVBS-VIFPVBQESA-N 1 0 210.252 1.599 10 0 BDAERO Fc1cccnc1OC[C@@H]1CCCC[NH2+]1 ZINC000054701253 181017304 /nfs/dbraw/zinc/01/73/04/181017304.db2.gz VQJLCZAVUDADAK-VIFPVBQESA-N 1 0 210.252 1.742 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)C(C)C ZINC000086004576 491056092 /nfs/dbraw/zinc/05/60/92/491056092.db2.gz MCUNSXQVEDKIMH-STQMWFEESA-N 1 0 228.380 1.731 10 0 BDAERO C[N@@H+]1C[C@@H](Cc2ccccc2)C[C@H]1CO ZINC000606303300 353858410 /nfs/dbraw/zinc/85/84/10/353858410.db2.gz BBHGSTBVDHVQRR-STQMWFEESA-N 1 0 205.301 1.542 10 0 BDAERO CN1C(=O)N(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@@H]21 ZINC000606303241 353858476 /nfs/dbraw/zinc/85/84/76/353858476.db2.gz NMSCRZDHTJGWDZ-OLZOCXBDSA-N 1 0 245.326 1.285 10 0 BDAERO CN1C(=O)N(C2CCCC2)[C@@H]2CC[NH2+]C[C@H]21 ZINC000606303023 353858552 /nfs/dbraw/zinc/85/85/52/353858552.db2.gz DWMCMZVRKCMYAB-GHMZBOCLSA-N 1 0 223.320 1.027 10 0 BDAERO C[C@@H]1C[N@H+](C)CC[C@@H]1NC/C=C\Cl ZINC000308110550 353889171 /nfs/dbraw/zinc/88/91/71/353889171.db2.gz VWBJVPDQUNRBJV-OSCQXZJKSA-N 1 0 202.729 1.669 10 0 BDAERO CC(C)C[S@](=O)[C@@H]1CC[C@@H]([NH3+])[C@H]1C ZINC000252467840 363284242 /nfs/dbraw/zinc/28/42/42/363284242.db2.gz CFRNMRANEVHHTR-PRFIWBCESA-N 1 0 203.351 1.517 10 0 BDAERO C/C(=C/c1c(Br)cnn1C)C[NH3+] ZINC000308119901 354010068 /nfs/dbraw/zinc/01/00/68/354010068.db2.gz OKGUAKLHPGPUSM-UTCJRWHESA-N 1 0 230.109 1.545 10 0 BDAERO CC[C@@H]1CS[C@@]2(CCOC[C@@H]2C)[NH2+]1 ZINC000301022727 363334589 /nfs/dbraw/zinc/33/45/89/363334589.db2.gz NZIUHBTZNBGONM-IVZWLZJFSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCCC1 ZINC000113225274 354253749 /nfs/dbraw/zinc/25/37/49/354253749.db2.gz PYSMSVOYZFSKIC-DGCLKSJQSA-N 1 0 236.359 1.872 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC[C@H]2CCCCO2)C1 ZINC000344668498 354341773 /nfs/dbraw/zinc/34/17/73/354341773.db2.gz AWBAQQLWXAAOPG-YNEHKIRRSA-N 1 0 243.347 1.027 10 0 BDAERO CCC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)[NH+](C)C ZINC000179145103 366210736 /nfs/dbraw/zinc/21/07/36/366210736.db2.gz LRHDAIPJVFOVNM-TUAOUCFPSA-N 1 0 238.375 1.831 10 0 BDAERO C[C@H]([NH3+])CCNc1ncnc2c1CCCC2 ZINC000087308216 354612539 /nfs/dbraw/zinc/61/25/39/354612539.db2.gz MHGUNFMAUFWNDO-VIFPVBQESA-N 1 0 220.320 1.505 10 0 BDAERO CCc1cnc(CNCC[C@@H](C)[NH3+])s1 ZINC000234147384 363415346 /nfs/dbraw/zinc/41/53/46/363415346.db2.gz LAPIHGVXYHVRQW-MRVPVSSYSA-N 1 0 213.350 1.532 10 0 BDAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000234038569 363413459 /nfs/dbraw/zinc/41/34/59/363413459.db2.gz NBBGTRDREJKSAV-MXWKQRLJSA-N 1 0 212.337 1.393 10 0 BDAERO C[C@H]1CN(Cc2ncccc2Cl)C[C@@H]1[NH3+] ZINC000530227044 324547633 /nfs/dbraw/zinc/54/76/33/324547633.db2.gz QXUBZQNRHFDRFM-WPRPVWTQSA-N 1 0 225.723 1.514 10 0 BDAERO [NH2+]=C1N[C@@H](c2ccc(Br)cc2)CO1 ZINC000083965056 355123111 /nfs/dbraw/zinc/12/31/11/355123111.db2.gz CWSFSFQMKPGYPP-MRVPVSSYSA-N 1 0 241.088 1.835 10 0 BDAERO CC[NH+](CC)CCNc1nccnc1C(C)C ZINC000413026956 191344784 /nfs/dbraw/zinc/34/47/84/191344784.db2.gz WXNVVJCVCATLQI-UHFFFAOYSA-N 1 0 236.363 1.776 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2nccnc2C(C)C)C1 ZINC000413078892 191354114 /nfs/dbraw/zinc/35/41/14/191354114.db2.gz WPIFJGZLALJIDA-GFCCVEGCSA-N 1 0 248.374 1.918 10 0 BDAERO NC(=[NH2+])COc1ccc(Cl)c(F)c1 ZINC000075881300 181186939 /nfs/dbraw/zinc/18/69/39/181186939.db2.gz QFHWXVHZFCIPRD-UHFFFAOYSA-N 1 0 202.616 1.794 10 0 BDAERO CC(C)n1ccnc1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000335788331 355439549 /nfs/dbraw/zinc/43/95/49/355439549.db2.gz GVIBIGBJHIQNGP-TXEJJXNPSA-N 1 0 236.363 1.646 10 0 BDAERO NC(=[NH2+])c1c(F)cccc1N1CCCC1 ZINC000062565991 181192901 /nfs/dbraw/zinc/19/29/01/181192901.db2.gz UTVLXZRMISXZMB-UHFFFAOYSA-N 1 0 207.252 1.710 10 0 BDAERO NC(=[NH2+])c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000049690334 181194883 /nfs/dbraw/zinc/19/48/83/181194883.db2.gz PRUZOHFYNPOAMA-MRVPVSSYSA-N 1 0 238.262 1.525 10 0 BDAERO NC(=[NH2+])c1ccc(OC2CCCC2)nc1 ZINC000019515516 181195358 /nfs/dbraw/zinc/19/53/58/181195358.db2.gz OPTRIMMYRUTLKA-UHFFFAOYSA-N 1 0 205.261 1.687 10 0 BDAERO Cc1csc(N2CCC([NH2+]CCO)CC2)n1 ZINC000166476960 355535513 /nfs/dbraw/zinc/53/55/13/355535513.db2.gz KBKPFOQTKYJMCH-UHFFFAOYSA-N 1 0 241.360 1.002 10 0 BDAERO C[C@@H]1CSCC[N@H+](CC2(O)CCC2)C1 ZINC000335831260 355557964 /nfs/dbraw/zinc/55/79/64/355557964.db2.gz KHJNRNOBMIIFPY-JTQLQIEISA-N 1 0 215.362 1.586 10 0 BDAERO C[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000389037242 355511994 /nfs/dbraw/zinc/51/19/94/355511994.db2.gz PYYVJFUFSNVGQF-KKOKHZNYSA-N 1 0 240.347 1.045 10 0 BDAERO NC(=[NH2+])c1ccnc(Sc2nncs2)c1 ZINC000019863576 181197163 /nfs/dbraw/zinc/19/71/63/181197163.db2.gz QTAMFMPMGOMQQG-UHFFFAOYSA-N 1 0 237.313 1.368 10 0 BDAERO C[NH2+][C@H](C)CNCc1csc(C2CC2)n1 ZINC000414976748 191639350 /nfs/dbraw/zinc/63/93/50/191639350.db2.gz QAGZIWOZZHJRMM-MRVPVSSYSA-N 1 0 225.361 1.718 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000389117266 355693540 /nfs/dbraw/zinc/69/35/40/355693540.db2.gz BLRVBKSXYXYJDO-CMPLNLGQSA-N 1 0 236.363 1.473 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000416818893 191765662 /nfs/dbraw/zinc/76/56/62/191765662.db2.gz ZRSVUPQGOWCCAO-DCAQKATOSA-N 1 0 227.352 1.458 10 0 BDAERO COc1cc2c(c(O)c1OC)C[C@@H]([NH3+])CCC2 ZINC000002006004 355747832 /nfs/dbraw/zinc/74/78/32/355747832.db2.gz CRYDBSUOPZRYDG-VIFPVBQESA-N 1 0 237.299 1.616 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccnn2C)C1 ZINC000389174755 355756872 /nfs/dbraw/zinc/75/68/72/355756872.db2.gz OSDIJGGYBIHLHL-WDEREUQCSA-N 1 0 222.336 1.165 10 0 BDAERO CC[C@@](C)(C[NH2+]C1CC(CO)C1)OC ZINC000639334623 355764982 /nfs/dbraw/zinc/76/49/82/355764982.db2.gz HNUAUCXGMRVYNU-ILDUYXDCSA-N 1 0 201.310 1.162 10 0 BDAERO C[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)CS1 ZINC000639334727 355765479 /nfs/dbraw/zinc/76/54/79/355765479.db2.gz JMZLFBHUCWXIGD-AUXWQGHOSA-N 1 0 201.335 1.241 10 0 BDAERO C#C[C@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000168456426 355834162 /nfs/dbraw/zinc/83/41/62/355834162.db2.gz LCJQGFYKNAUYMU-ZANVPECISA-N 1 0 201.269 1.991 10 0 BDAERO CC(C)N(C)C[C@H](C)[NH2+]CC(C)(C)O ZINC000389198038 355839969 /nfs/dbraw/zinc/83/99/69/355839969.db2.gz BRBRXUFPMWALGV-JTQLQIEISA-N 1 0 202.342 1.076 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2ncc(Cl)cn2)C1 ZINC000389236094 355934162 /nfs/dbraw/zinc/93/41/62/355934162.db2.gz CAFMXESRWYVCIM-SECBINFHSA-N 1 0 226.711 1.636 10 0 BDAERO CCOC(=O)[C@H](CC)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000351269683 355969474 /nfs/dbraw/zinc/96/94/74/355969474.db2.gz MNXYANNWBYPQDY-VWYCJHECSA-N 1 0 211.305 1.812 10 0 BDAERO CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000351269680 355969809 /nfs/dbraw/zinc/96/98/09/355969809.db2.gz MNXYANNWBYPQDY-DCAQKATOSA-N 1 0 211.305 1.812 10 0 BDAERO NC(=O)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000022148589 181237027 /nfs/dbraw/zinc/23/70/27/181237027.db2.gz HSIAHJPHVJLICA-LBPRGKRZSA-N 1 0 218.300 1.529 10 0 BDAERO NC(=O)CCNC1=[NH+][C@H](c2ccccc2)CS1 ZINC000063001947 181225657 /nfs/dbraw/zinc/22/56/57/181225657.db2.gz CISWAALHNZFAFN-JTQLQIEISA-N 1 0 249.339 1.296 10 0 BDAERO NC(=O)CCNc1cc[nH+]c2ccccc12 ZINC000041720670 181226258 /nfs/dbraw/zinc/22/62/58/181226258.db2.gz ZYFFEOUTZNAZFP-UHFFFAOYSA-N 1 0 215.256 1.522 10 0 BDAERO NC(=O)CCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000036925695 181227023 /nfs/dbraw/zinc/22/70/23/181227023.db2.gz HXMOHRFFKWGVKA-UHFFFAOYSA-N 1 0 246.310 1.318 10 0 BDAERO CS[C@H](C)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000395252348 356105847 /nfs/dbraw/zinc/10/58/47/356105847.db2.gz KKSOCPPVXICTDW-BBBLOLIVSA-N 1 0 230.377 1.242 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000020577983 181241638 /nfs/dbraw/zinc/24/16/38/181241638.db2.gz BEHNXAQCNKWIAD-MRVPVSSYSA-N 1 0 232.205 1.581 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncnc3[nH]ccc32)C1 ZINC000420269959 192195246 /nfs/dbraw/zinc/19/52/46/192195246.db2.gz JDMMGBYLEPVWLH-RKDXNWHRSA-N 1 0 231.303 1.497 10 0 BDAERO C[C@@H](CCC[NH3+])Nc1ncnc2[nH]ccc21 ZINC000420275754 192198121 /nfs/dbraw/zinc/19/81/21/192198121.db2.gz ZVFHGILXJJBNLN-QMMMGPOBSA-N 1 0 219.292 1.497 10 0 BDAERO C[C@H](CCC[NH3+])Nc1ncnc2[nH]ccc21 ZINC000420275753 192198822 /nfs/dbraw/zinc/19/88/22/192198822.db2.gz ZVFHGILXJJBNLN-MRVPVSSYSA-N 1 0 219.292 1.497 10 0 BDAERO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1N ZINC000042403790 181267250 /nfs/dbraw/zinc/26/72/50/181267250.db2.gz KCMRYLJUIGJHGG-LBPRGKRZSA-N 1 0 233.315 1.109 10 0 BDAERO C[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000420357593 192218675 /nfs/dbraw/zinc/21/86/75/192218675.db2.gz DNJGCKDSVOOIDV-UTUOFQBUSA-N 1 0 212.337 1.225 10 0 BDAERO CC(C)(C)OC(=O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000324571077 356401015 /nfs/dbraw/zinc/40/10/15/356401015.db2.gz WPZPHIIHWBHMHJ-JTQLQIEISA-N 1 0 245.363 1.715 10 0 BDAERO Nc1ncccc1C(=O)C1([NH3+])CCCC1 ZINC000168607545 356454510 /nfs/dbraw/zinc/45/45/10/356454510.db2.gz AGBPFIDMJHTODR-UHFFFAOYSA-N 1 0 205.261 1.118 10 0 BDAERO CC(=O)N1CC[NH+](C[C@@H]2CCCC2(F)F)CC1 ZINC000336189547 134122763 /nfs/dbraw/zinc/12/27/63/134122763.db2.gz CPWNRFAKCUEZMN-NSHDSACASA-N 1 0 246.301 1.586 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000384320918 356592295 /nfs/dbraw/zinc/59/22/95/356592295.db2.gz VIKNSQWIBLSCDZ-GWCFXTLKSA-N 1 0 243.310 1.885 10 0 BDAERO Cc1cnccc1CC[N@@H+]1CC[C@H](CCO)C1 ZINC000397645878 356582459 /nfs/dbraw/zinc/58/24/59/356582459.db2.gz UUWATEXIPGPHOT-CYBMUJFWSA-N 1 0 234.343 1.637 10 0 BDAERO Cc1cnc(N[C@@H]2CC[C@H](C)[NH2+]C2)nc1 ZINC000630091060 363494407 /nfs/dbraw/zinc/49/44/07/363494407.db2.gz FCMIZOFIAVCCKR-VHSXEESVSA-N 1 0 206.293 1.337 10 0 BDAERO CC(C)NC(=O)C1([C@H]2CCC[NH2+]C2)CC1 ZINC000381562525 538468318 /nfs/dbraw/zinc/46/83/18/538468318.db2.gz RTRIEPPIJKTYDV-JTQLQIEISA-N 1 0 210.321 1.291 10 0 BDAERO [NH3+]CC[C@H](O)c1ccsc1Br ZINC000083335976 538469339 /nfs/dbraw/zinc/46/93/39/538469339.db2.gz USEVPBOJOZRWPF-LURJTMIESA-N 1 0 236.134 1.893 10 0 BDAERO [NH3+]C[C@H]1c2ccccc2OCCN1C(=O)C1CC1 ZINC000675058172 538481535 /nfs/dbraw/zinc/48/15/35/538481535.db2.gz VNFVUNLCQGFGCB-LBPRGKRZSA-N 1 0 246.310 1.317 10 0 BDAERO COc1cc(C2([NH3+])CC(O)C2)ccc1C ZINC000675058508 538481632 /nfs/dbraw/zinc/48/16/32/538481632.db2.gz JOCMZLRYFORDMA-UHFFFAOYSA-N 1 0 207.273 1.312 10 0 BDAERO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CC[C@H](CO)O1 ZINC000675059298 538483164 /nfs/dbraw/zinc/48/31/64/538483164.db2.gz NELPPYMVPDZJGF-QNWHQSFQSA-N 1 0 227.348 1.789 10 0 BDAERO CC[C@]1(CNC(=O)[C@@H](C)C(C)C)C[NH2+]CCO1 ZINC000675058812 538483181 /nfs/dbraw/zinc/48/31/81/538483181.db2.gz ACMGNPNJHQGQRA-WCQYABFASA-N 1 0 242.363 1.163 10 0 BDAERO C[C@H]1CC(C)(C)C[C@@H]1n1cc(C[NH3+])nn1 ZINC000675051618 538474877 /nfs/dbraw/zinc/47/48/77/538474877.db2.gz PNJKMGVFCNAYBK-WPRPVWTQSA-N 1 0 208.309 1.734 10 0 BDAERO CC1(C(=O)N2CC([NH2+]C3CCC3)C2)CC1 ZINC000675055466 538476082 /nfs/dbraw/zinc/47/60/82/538476082.db2.gz UCJDAFBCDLWFHT-UHFFFAOYSA-N 1 0 208.305 1.139 10 0 BDAERO CCCc1cn2c(n1)[C@@H](CCOC)[NH2+]CCC2 ZINC000675068136 538495703 /nfs/dbraw/zinc/49/57/03/538495703.db2.gz MYQDZYSJWIGSKQ-GFCCVEGCSA-N 1 0 237.347 1.907 10 0 BDAERO COc1nc2ccc(F)cc2cc1C[NH3+] ZINC000675069643 538499578 /nfs/dbraw/zinc/49/95/78/538499578.db2.gz JQTMJNMXYMKYLJ-UHFFFAOYSA-N 1 0 206.220 1.841 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]2C[C@H](NC(=O)C3CCC3)[C@H]2C1 ZINC000675070096 538499845 /nfs/dbraw/zinc/49/98/45/538499845.db2.gz LIPGNNYFHHKWBE-YJQGPUDQSA-N 1 0 222.332 1.276 10 0 BDAERO CC1(C(=O)N[C@@H]2C[C@@H]3C[C@H](C[NH3+])C[C@H]23)CC1 ZINC000675070957 538502226 /nfs/dbraw/zinc/50/22/26/538502226.db2.gz UXSKWCLEFMJFGS-XWLWVQCSSA-N 1 0 222.332 1.276 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCS[C@H](C)C1 ZINC000163008621 202141792 /nfs/dbraw/zinc/14/17/92/202141792.db2.gz IIJWABOMRWQQQE-SNVBAGLBSA-N 1 0 217.378 1.975 10 0 BDAERO Nc1cc[nH+]cc1-c1cnn2cccnc12 ZINC000675072468 538503109 /nfs/dbraw/zinc/50/31/09/538503109.db2.gz HIHOBFBQLYSKJA-UHFFFAOYSA-N 1 0 211.228 1.204 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000163005528 202143230 /nfs/dbraw/zinc/14/32/30/202143230.db2.gz IIRQQBLANPYIJQ-GFCCVEGCSA-N 1 0 228.380 1.564 10 0 BDAERO Cc1cc(N2CC[NH2+]C[C@@H]2C)c(C)cc1C=O ZINC000675075208 538508581 /nfs/dbraw/zinc/50/85/81/538508581.db2.gz IBEBVJHXNZTMAX-LBPRGKRZSA-N 1 0 232.327 1.914 10 0 BDAERO CC(C)(C)C(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675069073 538497586 /nfs/dbraw/zinc/49/75/86/538497586.db2.gz GHJVMNFCMOEMSS-CABZTGNLSA-N 1 0 210.321 1.291 10 0 BDAERO O[C@H]1C=C(c2cc(F)cc(F)c2)C[NH2+]C1 ZINC000675077545 538513796 /nfs/dbraw/zinc/51/37/96/538513796.db2.gz NZKTXICZLKRNOE-NSHDSACASA-N 1 0 211.211 1.312 10 0 BDAERO COC1CCC(C2=C[C@@H](O)C[NH2+]C2)CC1 ZINC000675077462 538514307 /nfs/dbraw/zinc/51/43/07/538514307.db2.gz MUZPYCNXFQYPMR-CKBZRRDASA-N 1 0 211.305 1.082 10 0 BDAERO COCC[NH2+]CC1(CCOC)CCC1 ZINC000083571135 538514759 /nfs/dbraw/zinc/51/47/59/538514759.db2.gz MJEHLHRHHYEHFW-UHFFFAOYSA-N 1 0 201.310 1.429 10 0 BDAERO O[C@@H]1C=C(Cc2cccc(F)c2)C[NH2+]C1 ZINC000675077989 538514979 /nfs/dbraw/zinc/51/49/79/538514979.db2.gz ULOIGMZXTQWHCB-GFCCVEGCSA-N 1 0 207.248 1.259 10 0 BDAERO [NH3+][C@H]1C=C(c2ccsc2Cl)CNC1 ZINC000675078070 538515372 /nfs/dbraw/zinc/51/53/72/538515372.db2.gz MAVKGNJXYKYZNP-ZETCQYMHSA-N 1 0 214.721 1.715 10 0 BDAERO N[C@@H]1C=C(Cc2sccc2Cl)C[NH2+]C1 ZINC000675077977 538515447 /nfs/dbraw/zinc/51/54/47/538515447.db2.gz LNFFMMLGMLKZDT-MRVPVSSYSA-N 1 0 228.748 1.801 10 0 BDAERO N[C@@H]1C=C(C[C@@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675079000 538517813 /nfs/dbraw/zinc/51/78/13/538517813.db2.gz URNNAOKQCKSRIQ-VHSXEESVSA-N 1 0 216.275 1.669 10 0 BDAERO N[C@H]1C=C(CCC2CCOCC2)C[NH2+]C1 ZINC000675079484 538518949 /nfs/dbraw/zinc/51/89/49/538518949.db2.gz ZLFLRBDMPNRSQL-LBPRGKRZSA-N 1 0 210.321 1.050 10 0 BDAERO CC[NH+](CC)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080224 538519512 /nfs/dbraw/zinc/51/95/12/538519512.db2.gz PMEHVAACLHMYFC-GHMZBOCLSA-N 1 0 212.337 1.225 10 0 BDAERO CCCC(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000675080004 538519595 /nfs/dbraw/zinc/51/95/95/538519595.db2.gz KSOHAWIATGKSMF-AAEUAGOBSA-N 1 0 218.300 1.527 10 0 BDAERO O[C@H]1C=C(c2cc(F)ccc2F)C[NH2+]C1 ZINC000675077512 538512783 /nfs/dbraw/zinc/51/27/83/538512783.db2.gz NNYLUDHJAGRVLY-VIFPVBQESA-N 1 0 211.211 1.312 10 0 BDAERO O[C@H]1C=C(Cc2ccc(Cl)cn2)C[NH2+]C1 ZINC000675077489 538513185 /nfs/dbraw/zinc/51/31/85/538513185.db2.gz NDKCNNJAOOVOSF-NSHDSACASA-N 1 0 224.691 1.168 10 0 BDAERO COc1ccc(C2=C[C@@H](O)C[NH2+]C2)s1 ZINC000675077741 538513199 /nfs/dbraw/zinc/51/31/99/538513199.db2.gz RDUCMUQIBWVOFE-MRVPVSSYSA-N 1 0 211.286 1.104 10 0 BDAERO CCC[C@H](C[NH3+])[C@@H](O)c1cscn1 ZINC000127053818 538537866 /nfs/dbraw/zinc/53/78/66/538537866.db2.gz YGFRLFYJTPWHKC-VXNVDRBHSA-N 1 0 200.307 1.552 10 0 BDAERO CCc1nc([C@H](O)[C@H](C)C[NH3+])cs1 ZINC000382264603 538559217 /nfs/dbraw/zinc/55/92/17/538559217.db2.gz XVALSZFKUIJQDG-HZGVNTEJSA-N 1 0 200.307 1.334 10 0 BDAERO Cc1nn(C)cc1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000086499659 538555719 /nfs/dbraw/zinc/55/57/19/538555719.db2.gz NXRQQSOOBRUFEV-VIFPVBQESA-N 1 0 207.277 1.053 10 0 BDAERO CCOC(=O)C(=O)C[C@@H]1CCCCC[NH2+]1 ZINC000086499823 538555910 /nfs/dbraw/zinc/55/59/10/538555910.db2.gz XOJBDIYVJLYBOL-VIFPVBQESA-N 1 0 213.277 1.041 10 0 BDAERO CC(C)C[C@@H](C[NH3+])CC(=O)O[C@@H]1CCOC1 ZINC000083862730 538525479 /nfs/dbraw/zinc/52/54/79/538525479.db2.gz RZMVYOBKQJTRRS-GHMZBOCLSA-N 1 0 229.320 1.330 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)C1CCC1 ZINC000129788370 538576307 /nfs/dbraw/zinc/57/63/07/538576307.db2.gz QBLVVGDPQAGBQN-KOLCDFICSA-N 1 0 210.321 1.148 10 0 BDAERO CC(C)(C[NH3+])[C@@H](O)c1ncc(Cl)s1 ZINC000223312309 538595063 /nfs/dbraw/zinc/59/50/63/538595063.db2.gz LFLRSCUSTBWAMJ-LURJTMIESA-N 1 0 220.725 1.815 10 0 BDAERO CC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000225351021 538603925 /nfs/dbraw/zinc/60/39/25/538603925.db2.gz CXMYPCQXPRHFHD-JQWIXIFHSA-N 1 0 207.273 1.508 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)[C@H]1CCOC1 ZINC000389515650 356889202 /nfs/dbraw/zinc/88/92/02/356889202.db2.gz FYEGWIZDWLBBLA-XQQFMLRXSA-N 1 0 226.364 1.485 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000389531725 356969876 /nfs/dbraw/zinc/96/98/76/356969876.db2.gz INRYWCKOXZQXIW-RWMBFGLXSA-N 1 0 237.391 1.295 10 0 BDAERO C[C@@H]1CN(CC(F)F)[C@@H](C2CC2)C[NH2+]1 ZINC000223638077 356983075 /nfs/dbraw/zinc/98/30/75/356983075.db2.gz WOSZZYPLBPCGFX-VXNVDRBHSA-N 1 0 204.264 1.324 10 0 BDAERO CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000130787693 325087200 /nfs/dbraw/zinc/08/72/00/325087200.db2.gz ATJODDRNHUPVEZ-UWVGGRQHSA-N 1 0 213.325 1.034 10 0 BDAERO C[N@@H+]1CCCN(c2csc(C=O)c2)CC1 ZINC000160522981 357034806 /nfs/dbraw/zinc/03/48/06/357034806.db2.gz XCBPQMFPGYBDQZ-UHFFFAOYSA-N 1 0 224.329 1.703 10 0 BDAERO C[C@H](C(=O)c1ccncc1F)C1C[NH2+]C1 ZINC000129920922 357043104 /nfs/dbraw/zinc/04/31/04/357043104.db2.gz AUZCCQZECQYAOU-ZETCQYMHSA-N 1 0 208.236 1.259 10 0 BDAERO CC(C)OC[C@@H](O)C[NH2+]CCCC(C)(F)F ZINC000390227800 357086889 /nfs/dbraw/zinc/08/68/89/357086889.db2.gz DJPXSDCAHPSHAU-JTQLQIEISA-N 1 0 239.306 1.797 10 0 BDAERO [NH3+]C1(c2cccc(Br)c2)CC(O)C1 ZINC000258451274 538786697 /nfs/dbraw/zinc/78/66/97/538786697.db2.gz HWPOOYUWYKWOCF-UHFFFAOYSA-N 1 0 242.116 1.758 10 0 BDAERO CC(C)[C@@H](C)C(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157183404 538813184 /nfs/dbraw/zinc/81/31/84/538813184.db2.gz OTHYDMBRJQUHRS-PWSUYJOCSA-N 1 0 212.337 1.537 10 0 BDAERO CNC(=O)[C@@H]([NH3+])Cc1coc2ccccc12 ZINC000259148774 538809349 /nfs/dbraw/zinc/80/93/49/538809349.db2.gz UMDYMSCPULFHNP-JTQLQIEISA-N 1 0 218.256 1.049 10 0 BDAERO C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C ZINC000130073671 357177520 /nfs/dbraw/zinc/17/75/20/357177520.db2.gz VNXXBSCOBQSFPZ-ONGXEEELSA-N 1 0 210.346 1.930 10 0 BDAERO C[S@@](=O)C1(C[NH2+][C@@H]2CCCC[C@H]2O)CCC1 ZINC000393696646 357293713 /nfs/dbraw/zinc/29/37/13/357293713.db2.gz OOVOJVSNQCZYNN-GLKRBJQHSA-N 1 0 245.388 1.181 10 0 BDAERO Cc1cnc(N[C@H](C)C[C@@H](C)[NH3+])nc1C ZINC000395321012 357423795 /nfs/dbraw/zinc/42/37/95/357423795.db2.gz UBFBXPVKKNJGQY-RKDXNWHRSA-N 1 0 208.309 1.631 10 0 BDAERO OC1(C[NH2+]CC[C@@H]2CC2(F)F)CCOCC1 ZINC000622016944 370664122 /nfs/dbraw/zinc/66/41/22/370664122.db2.gz VSHKDJVYZLORHW-SECBINFHSA-N 1 0 235.274 1.163 10 0 BDAERO COC1CCC([NH2+]CCn2cc(C)cn2)CC1 ZINC000230389361 357532081 /nfs/dbraw/zinc/53/20/81/357532081.db2.gz BZHWDSWVVCEVKH-UHFFFAOYSA-N 1 0 237.347 1.739 10 0 BDAERO NC(=O)c1cc(NCCC[NH+]2CCCC2)ccn1 ZINC000062075932 181291424 /nfs/dbraw/zinc/29/14/24/181291424.db2.gz OVJKSAVFBDMTEH-UHFFFAOYSA-N 1 0 248.330 1.078 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)Nc1ccc(F)cc1 ZINC000063170789 357551939 /nfs/dbraw/zinc/55/19/39/357551939.db2.gz SLKVEJJEGNYFCN-MRVPVSSYSA-N 1 0 225.267 1.685 10 0 BDAERO CCc1nn(C)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000231084654 357589607 /nfs/dbraw/zinc/58/96/07/357589607.db2.gz OTDCIFHFJZYULV-BDAKNGLRSA-N 1 0 236.319 1.048 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](F)C[NH2+]2)o1 ZINC000188846552 357592781 /nfs/dbraw/zinc/59/27/81/357592781.db2.gz VZJZAMXQTRGREK-KXUCPTDWSA-N 1 0 240.278 1.465 10 0 BDAERO CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1CC1(C)C ZINC000397637154 357617687 /nfs/dbraw/zinc/61/76/87/357617687.db2.gz PYDOOPLJBSHPCJ-VWYCJHECSA-N 1 0 226.364 1.877 10 0 BDAERO C/C=C/C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000685939266 538886240 /nfs/dbraw/zinc/88/62/40/538886240.db2.gz NTMBXHZODBKSDL-OOIFCOQQSA-N 1 0 244.338 1.824 10 0 BDAERO CC(C)C(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000685946736 538886988 /nfs/dbraw/zinc/88/69/88/538886988.db2.gz MQVMXBGVEPKJSS-NSHDSACASA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685945847 538887114 /nfs/dbraw/zinc/88/71/14/538887114.db2.gz CNEUZUNZWFNPKJ-AEJSXWLSSA-N 1 0 216.300 1.176 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000685946018 538887614 /nfs/dbraw/zinc/88/76/14/538887614.db2.gz BUBQFXCVMXKKBX-BXKDBHETSA-N 1 0 210.321 1.372 10 0 BDAERO Cn1ccc(-c2ccc(C[NH3+])c(F)n2)n1 ZINC000685945972 538887631 /nfs/dbraw/zinc/88/76/31/538887631.db2.gz AUBLNJSDIHLUJA-UHFFFAOYSA-N 1 0 206.224 1.080 10 0 BDAERO [NH3+][C@@H]1CCCC12CCN(C(=O)C1CC1)CC2 ZINC000685946810 538888056 /nfs/dbraw/zinc/88/80/56/538888056.db2.gz NRQKLXSMNBFSFR-LLVKDONJSA-N 1 0 222.332 1.516 10 0 BDAERO CC(C)CNC(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947944 538889564 /nfs/dbraw/zinc/88/95/64/538889564.db2.gz UHYPQTFEGKLKKH-UHFFFAOYSA-N 1 0 227.352 1.602 10 0 BDAERO CC(C)(C)C(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947972 538889765 /nfs/dbraw/zinc/88/97/65/538889765.db2.gz VJIDUUVNDVBPJS-UHFFFAOYSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@@]1([NH3+])CCCN(C(=O)C(C)(C)C)C1 ZINC000685947847 538889789 /nfs/dbraw/zinc/88/97/89/538889789.db2.gz RVQOJUHOBWTWLF-GFCCVEGCSA-N 1 0 212.337 1.762 10 0 BDAERO OC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H]3CC[C@@H]32)C1 ZINC000685948230 538890204 /nfs/dbraw/zinc/89/02/04/538890204.db2.gz BRDDJFDFZGRONW-FVCCEPFGSA-N 1 0 209.333 1.879 10 0 BDAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCNC[C@H]2F)C1 ZINC000685948869 538891540 /nfs/dbraw/zinc/89/15/40/538891540.db2.gz UTCGODNJOQXBRD-WRWGMCAJSA-N 1 0 214.328 1.664 10 0 BDAERO CC(C)(C)OC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000685949267 538892352 /nfs/dbraw/zinc/89/23/52/538892352.db2.gz NQMMBWLRSFZHPU-UHFFFAOYSA-N 1 0 226.276 1.824 10 0 BDAERO CC(C)C(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000685949218 538892670 /nfs/dbraw/zinc/89/26/70/538892670.db2.gz MKCKSYBIIKEMBV-CMPLNLGQSA-N 1 0 210.321 1.515 10 0 BDAERO Nc1cccc(C2=CC[C@]3(C[C@H]3[NH3+])CC2)n1 ZINC000685950789 538894315 /nfs/dbraw/zinc/89/43/15/538894315.db2.gz ZDSOYLCFSNJZPT-DGCLKSJQSA-N 1 0 215.300 1.949 10 0 BDAERO Nc1[nH+]ccn1COCc1ccccc1 ZINC000685951306 538894432 /nfs/dbraw/zinc/89/44/32/538894432.db2.gz ZAWGJGQSVBMYRN-UHFFFAOYSA-N 1 0 203.245 1.640 10 0 BDAERO CC[C@H]1CN([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951176 538894697 /nfs/dbraw/zinc/89/46/97/538894697.db2.gz OUYJTOLOOPBFPT-QNWHQSFQSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCSC[C@H]1C ZINC000685951749 538894957 /nfs/dbraw/zinc/89/49/57/538894957.db2.gz XHXZOFMKODQYDJ-KXNHARMFSA-N 1 0 228.405 1.668 10 0 BDAERO COC[C@H]1CC[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)C1 ZINC000685951402 538895215 /nfs/dbraw/zinc/89/52/15/538895215.db2.gz SQWHUIKGYQMCLR-QNWHQSFQSA-N 1 0 226.364 1.199 10 0 BDAERO CCN1CCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000233490271 357725928 /nfs/dbraw/zinc/72/59/28/357725928.db2.gz JCGDPHAHTGFRBZ-OTTFEQOBSA-N 1 0 226.364 1.364 10 0 BDAERO CCC(=O)CCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000232872276 357686674 /nfs/dbraw/zinc/68/66/74/357686674.db2.gz HVLDYKCRUBJKKQ-QWHCGFSZSA-N 1 0 238.375 1.914 10 0 BDAERO COCCN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]2C)cn1 ZINC000190952073 357734876 /nfs/dbraw/zinc/73/48/76/357734876.db2.gz ZICJMEKLUQIQBQ-WCQYABFASA-N 1 0 249.358 1.662 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000085009041 134220443 /nfs/dbraw/zinc/22/04/43/134220443.db2.gz NNVLLBZHNMMFLX-SFYZADRCSA-N 1 0 209.249 1.049 10 0 BDAERO CCc1ncnc(NC[C@@H]([NH3+])C(C)C)c1F ZINC000234168525 357776814 /nfs/dbraw/zinc/77/68/14/357776814.db2.gz XSTIWXOPMBWNBD-MRVPVSSYSA-N 1 0 226.299 1.573 10 0 BDAERO Cc1c[nH+]ccc1N[C@@H]1CCc2ncnn2C1 ZINC000191980725 357818808 /nfs/dbraw/zinc/81/88/08/357818808.db2.gz RKGMXYOYWQCEFM-SNVBAGLBSA-N 1 0 229.287 1.408 10 0 BDAERO Cc1c[nH+]ccc1N1CCC(n2cncn2)CC1 ZINC000191979999 357818889 /nfs/dbraw/zinc/81/88/89/357818889.db2.gz ZVLYLIJPKYVWBB-UHFFFAOYSA-N 1 0 243.314 1.823 10 0 BDAERO COC[C@H](CCC[NH3+])Nc1ccc(C)nc1 ZINC000234716052 357819594 /nfs/dbraw/zinc/81/95/94/357819594.db2.gz XXDZADMBMCKQDV-LBPRGKRZSA-N 1 0 223.320 1.556 10 0 BDAERO C[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@@H]1[NH3+] ZINC000235325261 357865182 /nfs/dbraw/zinc/86/51/82/357865182.db2.gz PXUYQPCEIABEAA-OCCSQVGLSA-N 1 0 246.354 1.815 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(C)(C)O ZINC000086234397 357873091 /nfs/dbraw/zinc/87/30/91/357873091.db2.gz CWQWYXFWKYNQBM-GFCCVEGCSA-N 1 0 228.380 1.564 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(C)(C)O ZINC000086234399 357873495 /nfs/dbraw/zinc/87/34/95/357873495.db2.gz CWQWYXFWKYNQBM-LBPRGKRZSA-N 1 0 228.380 1.564 10 0 BDAERO CC[C@]1(C)CCN(C(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000399434017 357907492 /nfs/dbraw/zinc/90/74/92/357907492.db2.gz QDBHZOJFPXQREJ-NQBHXWOUSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000639937960 357940392 /nfs/dbraw/zinc/94/03/92/357940392.db2.gz HUAHQPDAFGTOKW-IJLUTSLNSA-N 1 0 227.348 1.647 10 0 BDAERO CCC[NH2+]CCNc1nccnc1OCC ZINC000583802828 357952911 /nfs/dbraw/zinc/95/29/11/357952911.db2.gz OWBSNPPPCBTFMQ-UHFFFAOYSA-N 1 0 224.308 1.287 10 0 BDAERO Cc1csc(N2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000169024719 358013309 /nfs/dbraw/zinc/01/33/09/358013309.db2.gz ZDMNIHYTGXNWAR-IUCAKERBSA-N 1 0 211.334 1.768 10 0 BDAERO CO[C@H](C)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000168704372 134246434 /nfs/dbraw/zinc/24/64/34/134246434.db2.gz QDDVCLVTMFKGCN-IJLUTSLNSA-N 1 0 240.347 1.107 10 0 BDAERO CCOc1nccnc1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000584581171 358095473 /nfs/dbraw/zinc/09/54/73/358095473.db2.gz BWMYXEFPRYJBAG-UWVGGRQHSA-N 1 0 236.319 1.049 10 0 BDAERO C[NH2+][C@@H](Cc1ccccc1)[C@H]1CCCO1 ZINC000038136359 358117225 /nfs/dbraw/zinc/11/72/25/358117225.db2.gz VGYYMPXHPORENV-QWHCGFSZSA-N 1 0 205.301 1.996 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171299702 134256710 /nfs/dbraw/zinc/25/67/10/134256710.db2.gz ZVGIGFIOZIGWSX-QWHCGFSZSA-N 1 0 238.375 1.975 10 0 BDAERO CC[C@@]1(O)CCC[N@H+](CC2(O)CCC2)C1 ZINC000640032768 358124942 /nfs/dbraw/zinc/12/49/42/358124942.db2.gz KTBARVDHNWRXTA-LLVKDONJSA-N 1 0 213.321 1.138 10 0 BDAERO CC[C@]1(O)CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000640035279 358125224 /nfs/dbraw/zinc/12/52/24/358125224.db2.gz JOCZGCAKTNKVPW-UTUOFQBUSA-N 1 0 213.321 1.137 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000070643156 535406069 /nfs/dbraw/zinc/40/60/69/535406069.db2.gz UNMVVUVBYUCZTN-GARJFASQSA-N 1 0 212.337 1.679 10 0 BDAERO Cc1ccc([C@H]2CC[C@@H]([NH3+])C(=O)NC2)cc1 ZINC000039110041 358214708 /nfs/dbraw/zinc/21/47/08/358214708.db2.gz FYYZGMAQVIYKET-NWDGAFQWSA-N 1 0 218.300 1.316 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCCC1CCCC1 ZINC000225328071 358240585 /nfs/dbraw/zinc/24/05/85/358240585.db2.gz YDOJFRBHROTPLC-SNVBAGLBSA-N 1 0 212.337 1.681 10 0 BDAERO N[C@@](O)(CC[NH2+]C1CC1)Cc1ccccc1 ZINC000584596856 358254516 /nfs/dbraw/zinc/25/45/16/358254516.db2.gz NZTBHLXSNXJRNU-CYBMUJFWSA-N 1 0 220.316 1.019 10 0 BDAERO 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CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000226226643 358335780 /nfs/dbraw/zinc/33/57/80/358335780.db2.gz OJOWQYRVELRUPR-QJPTWQEYSA-N 1 0 242.363 1.184 10 0 BDAERO CCCCS(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226463641 358339906 /nfs/dbraw/zinc/33/99/06/358339906.db2.gz KIJAKYOWWKABQJ-NSHDSACASA-N 1 0 248.392 1.190 10 0 BDAERO CO[C@@H](C)CCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226458667 358340167 /nfs/dbraw/zinc/34/01/67/358340167.db2.gz CAHMXPCCHLJATE-NWDGAFQWSA-N 1 0 242.363 1.402 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCSC1 ZINC000228562960 358378252 /nfs/dbraw/zinc/37/82/52/358378252.db2.gz XTTBCEIXGQKXOG-RYUDHWBXSA-N 1 0 247.404 1.507 10 0 BDAERO CCC[C@@H](CCO)C[NH2+]CC(C)(C)O ZINC000227441788 358357401 /nfs/dbraw/zinc/35/74/01/358357401.db2.gz WZIFMABZETYJCF-JTQLQIEISA-N 1 0 203.326 1.146 10 0 BDAERO CCC[C@H](CCO)C[NH2+]CC(C)(C)O ZINC000227441794 358357787 /nfs/dbraw/zinc/35/77/87/358357787.db2.gz WZIFMABZETYJCF-SNVBAGLBSA-N 1 0 203.326 1.146 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)[C@H]1CCOC1 ZINC000392907986 259479632 /nfs/dbraw/zinc/47/96/32/259479632.db2.gz YHBFGWXUTBXCFU-NOOOWODRSA-N 1 0 240.347 1.058 10 0 BDAERO Cc1cncc(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000228684266 358383359 /nfs/dbraw/zinc/38/33/59/358383359.db2.gz PVNZACCEOVNXJN-CHWSQXEVSA-N 1 0 220.316 1.783 10 0 BDAERO Fc1cccc2oc(N3CC[NH2+]CC3)nc21 ZINC000211390622 358447600 /nfs/dbraw/zinc/44/76/00/358447600.db2.gz OEOLRANFJNPBRX-UHFFFAOYSA-N 1 0 221.235 1.377 10 0 BDAERO Cc1nnc(N2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000228083111 358563411 /nfs/dbraw/zinc/56/34/11/358563411.db2.gz OYKNYAVFHSZVNU-HTRCEHHLSA-N 1 0 212.322 1.020 10 0 BDAERO COC[C@H](C)[NH2+][C@H]1C[C@H]1NC(=O)OC(C)(C)C ZINC000300211091 358539230 /nfs/dbraw/zinc/53/92/30/358539230.db2.gz NSJVAVIVLXXRST-LPEHRKFASA-N 1 0 244.335 1.277 10 0 BDAERO CN(CC[NH3+])c1nc2c(cccc2F)n1C ZINC000212501109 358602159 /nfs/dbraw/zinc/60/21/59/358602159.db2.gz LCIBYMKCMWNEGJ-UHFFFAOYSA-N 1 0 222.267 1.107 10 0 BDAERO CCc1nc(CC[NH2+][C@@H](C)[C@H](C)OC)no1 ZINC000129291666 358585276 /nfs/dbraw/zinc/58/52/76/358585276.db2.gz BOEUFLNNFQFIHB-IUCAKERBSA-N 1 0 227.308 1.188 10 0 BDAERO CCC[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000050193517 358718542 /nfs/dbraw/zinc/71/85/42/358718542.db2.gz QGUIUSFDHDKMGL-AVGNSLFASA-N 1 0 227.348 1.791 10 0 BDAERO CCCC[C@H](COC)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000134137495 358780715 /nfs/dbraw/zinc/78/07/15/358780715.db2.gz LODQUQWZEKWWCY-CHWSQXEVSA-N 1 0 244.379 1.112 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000052762100 358792164 /nfs/dbraw/zinc/79/21/64/358792164.db2.gz DHKWNQRTCQXSJF-CHWSQXEVSA-N 1 0 227.348 1.792 10 0 BDAERO C[C@@H]1COC(=O)[C@H]1NCc1ccccc1 ZINC000306150326 358871138 /nfs/dbraw/zinc/87/11/38/358871138.db2.gz AXTICQNRVMISPH-KOLCDFICSA-N 1 0 205.257 1.338 10 0 BDAERO CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)C(C)C ZINC000385510422 358843098 /nfs/dbraw/zinc/84/30/98/358843098.db2.gz GSRLBMSIWFUZPT-WDEREUQCSA-N 1 0 231.336 1.325 10 0 BDAERO CSCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000177063823 134297465 /nfs/dbraw/zinc/29/74/65/134297465.db2.gz OYBKFJNBNAWYRG-ZJUUUORDSA-N 1 0 230.377 1.194 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000053697435 358902822 /nfs/dbraw/zinc/90/28/22/358902822.db2.gz LITNNHISEBPMSJ-LBPRGKRZSA-N 1 0 234.347 1.691 10 0 BDAERO [NH3+][C@H]1CCO[C@@H]1c1ccc(Br)cn1 ZINC000130221526 358960278 /nfs/dbraw/zinc/96/02/78/358960278.db2.gz MWCKKZBKIXRICM-CBAPKCEASA-N 1 0 243.104 1.633 10 0 BDAERO [NH3+][C@@H]1CCO[C@@H]1c1ccc(Br)cn1 ZINC000130221076 358960325 /nfs/dbraw/zinc/96/03/25/358960325.db2.gz MWCKKZBKIXRICM-APPZFPTMSA-N 1 0 243.104 1.633 10 0 BDAERO C[C@@H]1C[NH2+][C@H](C2CCC2)C[S@](=O)C1 ZINC000306161891 358967127 /nfs/dbraw/zinc/96/71/27/358967127.db2.gz FCDYJTJYOOYWFZ-DFAYQTQMSA-N 1 0 201.335 1.143 10 0 BDAERO C[C@@H]1SCC[C@H]1N(C)[C@H]1CC[NH2+]C1 ZINC000300353080 358971601 /nfs/dbraw/zinc/97/16/01/358971601.db2.gz TWZBQOMMMCJLTK-LPEHRKFASA-N 1 0 200.351 1.174 10 0 BDAERO C[C@@H]1SCC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000300358848 358971972 /nfs/dbraw/zinc/97/19/72/358971972.db2.gz BTGXVPCMGZRSQM-HBNTYKKESA-N 1 0 214.378 1.564 10 0 BDAERO CC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000231130601 358975585 /nfs/dbraw/zinc/97/55/85/358975585.db2.gz NNXBIZGRBNRJLW-ZDUSSCGKSA-N 1 0 218.300 1.049 10 0 BDAERO Cc1nsc([C@@]2(C[NH3+])CC[C@@H](C)C2)n1 ZINC000306153496 358921445 /nfs/dbraw/zinc/92/14/45/358921445.db2.gz ATTWWLWSBLVGSW-XCBNKYQSSA-N 1 0 211.334 1.863 10 0 BDAERO C[C@@H]1CNC(C)(C)C[N@@H+]1[C@H]1CCSC1 ZINC000299970479 358958268 /nfs/dbraw/zinc/95/82/68/358958268.db2.gz UZVGZNJUQJHOGQ-ZJUUUORDSA-N 1 0 214.378 1.564 10 0 BDAERO C/C(=C\Cl)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000300401067 358989920 /nfs/dbraw/zinc/98/99/20/358989920.db2.gz KNNXUGIWTZISIY-GNKRQNHBSA-N 1 0 202.729 1.811 10 0 BDAERO C[C@H]1C[NH2+]CCN(C(=O)NCc2ccccc2)C1 ZINC000306190606 359005424 /nfs/dbraw/zinc/00/54/24/359005424.db2.gz XHDBHNZMFMECFH-LBPRGKRZSA-N 1 0 247.342 1.438 10 0 BDAERO CC[C@@]1(C(=O)NCc2ncccc2C)CC[NH2+]C1 ZINC000071344866 359077064 /nfs/dbraw/zinc/07/70/64/359077064.db2.gz GSRNXZJTZGLUNA-CQSZACIVSA-N 1 0 247.342 1.396 10 0 BDAERO COCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246435482 359084370 /nfs/dbraw/zinc/08/43/70/359084370.db2.gz DLCDTXDQVUOJBM-VXGBXAGGSA-N 1 0 239.315 1.814 10 0 BDAERO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2nccn2C)C1 ZINC000070445236 359055804 /nfs/dbraw/zinc/05/58/04/359055804.db2.gz QODQYVGLJXBSOH-RYUDHWBXSA-N 1 0 236.363 1.555 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC000070479421 359057484 /nfs/dbraw/zinc/05/74/84/359057484.db2.gz CRLQTOLZYXATLW-NWDGAFQWSA-N 1 0 234.347 1.612 10 0 BDAERO CCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000247065981 359191236 /nfs/dbraw/zinc/19/12/36/359191236.db2.gz GFXOLQSJSZILFZ-OLZOCXBDSA-N 1 0 228.380 1.564 10 0 BDAERO Cn1cnc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000308861105 491139265 /nfs/dbraw/zinc/13/92/65/491139265.db2.gz VHDUZTLTHWDELX-NSHDSACASA-N 1 0 209.293 1.079 10 0 BDAERO CN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccco2)C1=O ZINC000246894054 359173367 /nfs/dbraw/zinc/17/33/67/359173367.db2.gz GRLYSIOTVMFPON-QWRGUYRKSA-N 1 0 234.299 1.647 10 0 BDAERO CC(C)OC(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247705832 359241875 /nfs/dbraw/zinc/24/18/75/359241875.db2.gz YXCDHLAMYXDPMS-LBPRGKRZSA-N 1 0 240.347 1.108 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247147236 359197322 /nfs/dbraw/zinc/19/73/22/359197322.db2.gz UAWRLEGHAPFLPF-STQMWFEESA-N 1 0 237.347 1.427 10 0 BDAERO Cc1nnc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000247485023 359224479 /nfs/dbraw/zinc/22/44/79/359224479.db2.gz TTYQQECEOBDPHW-MWLCHTKSSA-N 1 0 236.319 1.047 10 0 BDAERO CC(C)(C)CCC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404217337 359285448 /nfs/dbraw/zinc/28/54/48/359285448.db2.gz YXORAHXSWQVAAK-OLZOCXBDSA-N 1 0 240.391 1.875 10 0 BDAERO [NH3+]C1(c2ncncc2Br)CC1 ZINC000306210378 359303235 /nfs/dbraw/zinc/30/32/35/359303235.db2.gz OFKLRMMLSQIYKK-UHFFFAOYSA-N 1 0 214.066 1.187 10 0 BDAERO CCc1nnc(C[N@@H+]2CC[C@H](C)[C@H]2C)n1C ZINC000248340466 359266030 /nfs/dbraw/zinc/26/60/30/359266030.db2.gz IOTOVBLFCIXWBF-VHSXEESVSA-N 1 0 222.336 1.608 10 0 BDAERO [NH3+][C@H]1CCN(Cc2ccsc2Cl)C1=O ZINC000306216202 359322230 /nfs/dbraw/zinc/32/22/30/359322230.db2.gz BVQOIEMKWNRYPL-ZETCQYMHSA-N 1 0 230.720 1.461 10 0 BDAERO Cc1ccccc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404278347 359415104 /nfs/dbraw/zinc/41/51/04/359415104.db2.gz TUWHMQFUKYKCEQ-GJZGRUSLSA-N 1 0 246.354 1.558 10 0 BDAERO C[C@H]1CN(CC2(C(F)F)CC2)CC[NH2+]1 ZINC000306232416 359388851 /nfs/dbraw/zinc/38/88/51/359388851.db2.gz MHRQBYMGZWOSCV-QMMMGPOBSA-N 1 0 204.264 1.325 10 0 BDAERO [NH3+]C[C@H]1CO[C@H](c2ccsc2Cl)O1 ZINC000306248712 359445612 /nfs/dbraw/zinc/44/56/12/359445612.db2.gz XVGTYNSHUOXZBF-XNCJUZBTSA-N 1 0 219.693 1.774 10 0 BDAERO [NH2+]=C1NC[C@@H](c2cscc2Br)N1 ZINC000306263520 359487856 /nfs/dbraw/zinc/48/78/56/359487856.db2.gz YQTVGNDYMMCYRU-LURJTMIESA-N 1 0 246.133 1.470 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)N1CCSC(C)(C)C1 ZINC000306312516 359593272 /nfs/dbraw/zinc/59/32/72/359593272.db2.gz KUOLXSMOGGCWLM-RKDXNWHRSA-N 1 0 202.367 1.550 10 0 BDAERO CC(C)c1nsc(N2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000086887306 359583652 /nfs/dbraw/zinc/58/36/52/359583652.db2.gz RPVOFUHLGFUSIL-IUCAKERBSA-N 1 0 240.376 1.835 10 0 BDAERO CC(C)c1nsc(N2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000086887304 359585569 /nfs/dbraw/zinc/58/55/69/359585569.db2.gz RPVOFUHLGFUSIL-BDAKNGLRSA-N 1 0 240.376 1.835 10 0 BDAERO C1C[NH+]=C(N[C@H]2CCCOCC2)SC1 ZINC000306311520 359594545 /nfs/dbraw/zinc/59/45/45/359594545.db2.gz MVUIHLYSILFYRZ-VIFPVBQESA-N 1 0 214.334 1.638 10 0 BDAERO [NH3+]C[C@]1(Cc2ccncc2)CCCS1 ZINC000306314250 359595624 /nfs/dbraw/zinc/59/56/24/359595624.db2.gz NOQLDBPIMPRBOF-LLVKDONJSA-N 1 0 208.330 1.849 10 0 BDAERO [NH3+][C@]1(c2ncccc2Br)CCOC1 ZINC000306317196 359597580 /nfs/dbraw/zinc/59/75/80/359597580.db2.gz FKNNLZVJUYFMHC-SECBINFHSA-N 1 0 243.104 1.418 10 0 BDAERO C[C@@H](C[NH2+]CC(C)(C)O)CC(F)(F)F ZINC000396927917 359630878 /nfs/dbraw/zinc/63/08/78/359630878.db2.gz BTNWPRCKLUISPR-SSDOTTSWSA-N 1 0 213.243 1.935 10 0 BDAERO CC[C@@H]1CS[C@@]2(COCC2(C)C)[NH2+]1 ZINC000306333271 359631885 /nfs/dbraw/zinc/63/18/85/359631885.db2.gz SRNVQYZKWDEKKG-PSASIEDQSA-N 1 0 201.335 1.854 10 0 BDAERO CC[C@H](C)[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000306332046 359632828 /nfs/dbraw/zinc/63/28/28/359632828.db2.gz DGPFMVHQZGTJGQ-OUJBWJOFSA-N 1 0 203.351 1.628 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1C ZINC000623765134 359641422 /nfs/dbraw/zinc/64/14/22/359641422.db2.gz OFWRJJFVLDVFCR-KBPBESRZSA-N 1 0 235.327 1.543 10 0 BDAERO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300681297 491142878 /nfs/dbraw/zinc/14/28/78/491142878.db2.gz OVVASROVQLZOLZ-FVCCEPFGSA-N 1 0 238.375 1.879 10 0 BDAERO CN(C[C@H]1CCCSC1)C1C[NH2+]C1 ZINC000306348949 359668362 /nfs/dbraw/zinc/66/83/62/359668362.db2.gz UCLZCFFZIVWYGV-SECBINFHSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@]1(CN2C(=O)c3ccccc3C2=O)CCC[NH2+]1 ZINC000306356199 359683390 /nfs/dbraw/zinc/68/33/90/359683390.db2.gz WXCIKLALWRZKEH-CQSZACIVSA-N 1 0 244.294 1.425 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309049454 491143362 /nfs/dbraw/zinc/14/33/62/491143362.db2.gz QAHXJOFZPZOGKM-ZYHUDNBSSA-N 1 0 207.321 1.445 10 0 BDAERO C[C@@H]1CCS[C@@]2(COCC2(C)C)[NH2+]1 ZINC000306372241 359705157 /nfs/dbraw/zinc/70/51/57/359705157.db2.gz HYBXPJKMNQUREY-PSASIEDQSA-N 1 0 201.335 1.854 10 0 BDAERO CC[N@H+]1C[C@H](Nc2cccnn2)[C@@H](C)C1 ZINC000309063647 491143839 /nfs/dbraw/zinc/14/38/39/491143839.db2.gz YCOOIEDTIWIGFB-UWVGGRQHSA-N 1 0 206.293 1.229 10 0 BDAERO CC[N@H+]1C[C@H](Nc2nnc(C)s2)[C@@H](C)C1 ZINC000309065322 491143910 /nfs/dbraw/zinc/14/39/10/491143910.db2.gz YYODBDIVBAYLAL-CBAPKCEASA-N 1 0 226.349 1.599 10 0 BDAERO CC[C@H]1C[NH2+]C[C@H]1N1CCCSCC1 ZINC000161015645 359736428 /nfs/dbraw/zinc/73/64/28/359736428.db2.gz XDJMPWYGCGFZNY-WDEREUQCSA-N 1 0 214.378 1.423 10 0 BDAERO [NH3+][C@@H](c1ccsn1)[C@H]1CCSC1 ZINC000306387960 359741679 /nfs/dbraw/zinc/74/16/79/359741679.db2.gz QAACYBNTIXYBNN-POYBYMJQSA-N 1 0 200.332 1.896 10 0 BDAERO [NH3+][C@@]1(c2ccc(Br)cn2)CCOC1 ZINC000306410970 359818671 /nfs/dbraw/zinc/81/86/71/359818671.db2.gz MYQBCMUPKVGTOA-VIFPVBQESA-N 1 0 243.104 1.418 10 0 BDAERO CC1(C[NH2+][C@@H]2CCc3nccn3C2)CC1 ZINC000309120498 491145230 /nfs/dbraw/zinc/14/52/30/491145230.db2.gz NOBICFKPFITIBI-SNVBAGLBSA-N 1 0 205.305 1.588 10 0 BDAERO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)nc1 ZINC000087782578 359928944 /nfs/dbraw/zinc/92/89/44/359928944.db2.gz XKNLEZRDKVXBNL-AAEUAGOBSA-N 1 0 220.316 1.641 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2CCSC2)S1 ZINC000231360036 359915817 /nfs/dbraw/zinc/91/58/17/359915817.db2.gz HRFIHNREPAIJPE-RNFRBKRXSA-N 1 0 202.348 1.573 10 0 BDAERO CC(C)(C[NH3+])N1CC[C@H](C(F)(F)F)C1 ZINC000306436596 359944757 /nfs/dbraw/zinc/94/47/57/359944757.db2.gz LQOHAMSPSRUFNN-ZETCQYMHSA-N 1 0 210.243 1.608 10 0 BDAERO [NH3+]CC1(c2c(F)cccc2Cl)OCCO1 ZINC000306441958 360010114 /nfs/dbraw/zinc/01/01/14/360010114.db2.gz VRRNVHJBINTDCN-UHFFFAOYSA-N 1 0 231.654 1.637 10 0 BDAERO OC[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876803 360092238 /nfs/dbraw/zinc/09/22/38/360092238.db2.gz STELOYKCMUCKQC-KGLIPLIRSA-N 1 0 247.338 1.837 10 0 BDAERO O=C1CCC[C@H]([N@H+]2CCC[C@@H]2CCO)C1 ZINC000306471180 360095204 /nfs/dbraw/zinc/09/52/04/360095204.db2.gz RNGMLOKNUBMQCW-MNOVXSKESA-N 1 0 211.305 1.345 10 0 BDAERO CCn1cncc1C[NH2+][C@@H]1CCCN(CC)C1 ZINC000090172655 360061546 /nfs/dbraw/zinc/06/15/46/360061546.db2.gz QOXHCBYPHDITND-GFCCVEGCSA-N 1 0 236.363 1.477 10 0 BDAERO C[C@]1(C(=O)Cc2csnn2)CCCC[NH2+]1 ZINC000306462387 360074109 /nfs/dbraw/zinc/07/41/09/360074109.db2.gz HIIYKWZKEYNJCQ-SNVBAGLBSA-N 1 0 225.317 1.182 10 0 BDAERO NC(=O)c1ccc(N[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000062791385 181299876 /nfs/dbraw/zinc/29/98/76/181299876.db2.gz ZXMKESODNZNKBF-MRVPVSSYSA-N 1 0 239.706 1.213 10 0 BDAERO CN[C@@H](C[NH3+])c1cscc1Br ZINC000306468503 360082849 /nfs/dbraw/zinc/08/28/49/360082849.db2.gz SLTKHZBSKWWDQK-ZETCQYMHSA-N 1 0 235.150 1.730 10 0 BDAERO C1=C(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)COCC1 ZINC000091979271 360140105 /nfs/dbraw/zinc/14/01/05/360140105.db2.gz KUGRLTLANMPGMI-KGLIPLIRSA-N 1 0 237.343 1.977 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1[NH2+]CCC[S@@](=O)[C@H]1C ZINC000306481423 360142566 /nfs/dbraw/zinc/14/25/66/360142566.db2.gz KFBWPHQKOVSFGA-RWOMURPVSA-N 1 0 201.335 1.142 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(C)CCO2)[C@@H]1C ZINC000091667375 360123451 /nfs/dbraw/zinc/12/34/51/360123451.db2.gz MFABZODQENNEPB-SYQHCUMBSA-N 1 0 240.391 1.731 10 0 BDAERO CC(C)(C)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091927253 360136495 /nfs/dbraw/zinc/13/64/95/360136495.db2.gz SAAONRACAZSTDP-RYUDHWBXSA-N 1 0 227.348 1.912 10 0 BDAERO CC[C@@H]1[C@H](C2CCC2)[NH2+]C[C@H](C)[S@]1=O ZINC000306488284 360165697 /nfs/dbraw/zinc/16/56/97/360165697.db2.gz JZYAJBJYFCYEGD-WQURNTSKSA-N 1 0 215.362 1.674 10 0 BDAERO CCOC(=O)CCN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092632089 360186948 /nfs/dbraw/zinc/18/69/48/360186948.db2.gz NIVGESBWWNSAPK-LBPRGKRZSA-N 1 0 242.363 1.356 10 0 BDAERO Cc1ncsc1NC(=O)[C@H]([NH3+])C(C)C ZINC000306493424 360211245 /nfs/dbraw/zinc/21/12/45/360211245.db2.gz RXBKQANMSBRVDT-SSDOTTSWSA-N 1 0 213.306 1.373 10 0 BDAERO CC(C)(C[NH3+])C[C@H](O)COCc1ccccc1 ZINC000306493458 360212443 /nfs/dbraw/zinc/21/24/43/360212443.db2.gz ZDTYGLGHNACLGU-ZDUSSCGKSA-N 1 0 237.343 1.939 10 0 BDAERO C[C@@H]1C[C@@]2(CNC(=O)O2)C[N@@H+]1Cc1ccccc1 ZINC000306492409 360216750 /nfs/dbraw/zinc/21/67/50/360216750.db2.gz XPJUPXOTAPFGIZ-BXUZGUMPSA-N 1 0 246.310 1.759 10 0 BDAERO Cc1c(C[NH2+][C@H]2CCN(C3CC3)C2)cnn1C ZINC000093650204 360267466 /nfs/dbraw/zinc/26/74/66/360267466.db2.gz KZZJBXZZHILDKT-LBPRGKRZSA-N 1 0 234.347 1.055 10 0 BDAERO Cn1cnnc1[C@@H]1CCC[N@@H+]1CC(C)(C)C ZINC000093810478 360280078 /nfs/dbraw/zinc/28/00/78/360280078.db2.gz FSPFYOQWDRYPOC-JTQLQIEISA-N 1 0 222.336 1.998 10 0 BDAERO CC(C)[C@@H]1CN([C@@H]2CCSC2)CC[NH2+]1 ZINC000231425010 360336040 /nfs/dbraw/zinc/33/60/40/360336040.db2.gz NQFHKEZOPRDKBB-MNOVXSKESA-N 1 0 214.378 1.422 10 0 BDAERO [NH3+][C@@]1(Cc2ccc(Br)o2)CCOC1 ZINC000306519654 360344810 /nfs/dbraw/zinc/34/48/10/360344810.db2.gz JDAQEROAQWRXIP-SECBINFHSA-N 1 0 246.104 1.702 10 0 BDAERO CCOCC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000094433314 360308837 /nfs/dbraw/zinc/30/88/37/360308837.db2.gz JFMZJVDCPOVANY-UONOGXRCSA-N 1 0 240.391 1.972 10 0 BDAERO CCC[C@H](O)C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000094441151 360308881 /nfs/dbraw/zinc/30/88/81/360308881.db2.gz IOTWHEMYPCPPGM-IHRRRGAJSA-N 1 0 240.391 1.706 10 0 BDAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12C[NH+]=C(N)O2 ZINC000306508108 360316976 /nfs/dbraw/zinc/31/69/76/360316976.db2.gz ACRDZAKJTRIDQT-BXUZGUMPSA-N 1 0 245.326 1.365 10 0 BDAERO C[C@@H]1C[C@H](c2c(Cl)cnn2C)[C@@H](C)[NH2+]1 ZINC000306524359 360368702 /nfs/dbraw/zinc/36/87/02/360368702.db2.gz AGCYLHHULBAXDY-PRJMDXOYSA-N 1 0 213.712 1.927 10 0 BDAERO CC(=O)N1CC[C@@H]([NH2+]CCCCF)[C@H](C)C1 ZINC000309452936 491148624 /nfs/dbraw/zinc/14/86/24/491148624.db2.gz MZFFZKQZELQEKQ-ZYHUDNBSSA-N 1 0 230.327 1.583 10 0 BDAERO [NH3+]C1(CN[C@H]2CCCCC2(F)F)CC1 ZINC000306565423 360446060 /nfs/dbraw/zinc/44/60/60/360446060.db2.gz FKISLDRMEZMCPL-QMMMGPOBSA-N 1 0 204.264 1.645 10 0 BDAERO Cc1cc(NC(=[NH2+])NCc2ccccc2)nn1C ZINC000306539759 360404320 /nfs/dbraw/zinc/40/43/20/360404320.db2.gz QSIZQQDBCSTLNM-UHFFFAOYSA-N 1 0 243.314 1.865 10 0 BDAERO C[C@H]1CSCCN1[C@@H]1CCC[NH2+]C1 ZINC000069760985 360409094 /nfs/dbraw/zinc/40/90/94/360409094.db2.gz BFLJVLHHOCAMRQ-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO Clc1ccc2c(c1)N(C1C[NH2+]C1)CC2 ZINC000306547322 360416254 /nfs/dbraw/zinc/41/62/54/360416254.db2.gz XFHMLXBGDLVCOL-UHFFFAOYSA-N 1 0 208.692 1.674 10 0 BDAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1[C@H]1CCC(=O)C1 ZINC000306547514 360418983 /nfs/dbraw/zinc/41/89/83/360418983.db2.gz AXFAQZKMOHSRSY-JBLDHEPKSA-N 1 0 211.305 1.201 10 0 BDAERO CCCNC(=[NH2+])N1CCSC[C@H]1C ZINC000069762394 360423375 /nfs/dbraw/zinc/42/33/75/360423375.db2.gz OYEBQXRMDPQXFP-MRVPVSSYSA-N 1 0 201.339 1.358 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1CCSC[C@H]1C ZINC000069762420 360423463 /nfs/dbraw/zinc/42/34/63/360423463.db2.gz OPBGRSYPHXHKTQ-ZJUUUORDSA-N 1 0 202.367 1.407 10 0 BDAERO C[C@@H]1OCCN([C@H]2CCCCC2=O)[C@H]1C ZINC000306556022 360430133 /nfs/dbraw/zinc/43/01/33/360430133.db2.gz MCODXOAJYQSGGB-DCAQKATOSA-N 1 0 211.305 1.607 10 0 BDAERO C[C@H](C[NH3+])[C@H](C)[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000306559153 360433949 /nfs/dbraw/zinc/43/39/49/360433949.db2.gz QGMQIIBOYBLJFM-LMLFDSFASA-N 1 0 200.326 1.079 10 0 BDAERO CNC(=[NH2+])Nc1cncc(Br)c1 ZINC000300757824 360454723 /nfs/dbraw/zinc/45/47/23/360454723.db2.gz KVNLVGHPBBIWCK-UHFFFAOYSA-N 1 0 229.081 1.410 10 0 BDAERO CC1(C)CSCC[N@@H+]1[C@H]1C[C@@H]1CO ZINC000306574550 360462921 /nfs/dbraw/zinc/46/29/21/360462921.db2.gz RHKDPBWUJVVBDZ-BDAKNGLRSA-N 1 0 201.335 1.195 10 0 BDAERO CC1(C)C[C@@H]1[C@@H]1C[S@@](=O)CCC[NH2+]1 ZINC000306577838 360466393 /nfs/dbraw/zinc/46/63/93/360466393.db2.gz LSZTTYZFZZCNMS-ZDMBXUJBSA-N 1 0 201.335 1.143 10 0 BDAERO C[C@@H]1CCN[C@@](C)([C@@H]2CC[NH2+]C2)S1 ZINC000306578121 360467902 /nfs/dbraw/zinc/46/79/02/360467902.db2.gz LVYDCKGVRZJPIS-OPRDCNLKSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@H]1CSCCN([C@H]2CC[NH2+]C2)C1 ZINC000306603869 360532058 /nfs/dbraw/zinc/53/20/58/360532058.db2.gz XXDGTYGKBGQWHQ-ZJUUUORDSA-N 1 0 200.351 1.033 10 0 BDAERO CC(C)=CC(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000300788031 360502850 /nfs/dbraw/zinc/50/28/50/360502850.db2.gz YMOBCYXCQPTQIX-GHMZBOCLSA-N 1 0 210.321 1.504 10 0 BDAERO CC[C@H](O)C[N@H+](CCOC)Cc1ccsc1 ZINC000036099263 360597205 /nfs/dbraw/zinc/59/72/05/360597205.db2.gz ICNVNRYGSRQUHT-LBPRGKRZSA-N 1 0 243.372 1.967 10 0 BDAERO Cn1cc(C[NH2+][C@H]2CCC[C@H]2CCF)nn1 ZINC000309544529 491150918 /nfs/dbraw/zinc/15/09/18/491150918.db2.gz ZHMZSFCHCUSHLP-ONGXEEELSA-N 1 0 226.299 1.433 10 0 BDAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000309598358 491152876 /nfs/dbraw/zinc/15/28/76/491152876.db2.gz WWDKIBOHNYUVIJ-INTQDDNPSA-N 1 0 223.320 1.672 10 0 BDAERO COc1ccc(C[NH3+])nc1OC(F)(F)F ZINC000238391699 360994307 /nfs/dbraw/zinc/99/43/07/360994307.db2.gz VPCPOTUPXOLSBU-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO [NH3+][C@H]1CCC[S@@](=O)c2ccc(F)cc21 ZINC000040974081 360982903 /nfs/dbraw/zinc/98/29/03/360982903.db2.gz LGTVEXSIBYXJJX-XPTSAGLGSA-N 1 0 213.277 1.727 10 0 BDAERO [NH3+][C@H]1CC[S@](=O)c2c(Cl)cccc21 ZINC000040973857 360983063 /nfs/dbraw/zinc/98/30/63/360983063.db2.gz WVPLDZOMULKGFY-ISVAXAHUSA-N 1 0 215.705 1.851 10 0 BDAERO [NH3+][C@@H]1CC[S@](=O)c2ccc(Cl)cc21 ZINC000040973628 360985003 /nfs/dbraw/zinc/98/50/03/360985003.db2.gz HYJCWLHEQJBWNG-AMIZOPFISA-N 1 0 215.705 1.851 10 0 BDAERO Clc1cncc(NC2CC[NH2+]CC2)c1 ZINC000238559737 361150088 /nfs/dbraw/zinc/15/00/88/361150088.db2.gz OZNMVUWCQWIGPJ-UHFFFAOYSA-N 1 0 211.696 1.899 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@H]1NCc1cncs1 ZINC000306616720 361171350 /nfs/dbraw/zinc/17/13/50/361171350.db2.gz PEKJRHLNKRTIQB-WPRPVWTQSA-N 1 0 211.334 1.231 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@H]1NCc1cncs1 ZINC000306616717 361171613 /nfs/dbraw/zinc/17/16/13/361171613.db2.gz PEKJRHLNKRTIQB-PSASIEDQSA-N 1 0 211.334 1.231 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2ccc(C)nn2)C1 ZINC000041045170 361183162 /nfs/dbraw/zinc/18/31/62/361183162.db2.gz OHSVEYJUTJSDQC-NSHDSACASA-N 1 0 220.320 1.681 10 0 BDAERO [NH3+]Cc1ncc(OC(F)(F)F)cc1F ZINC000238609437 361163777 /nfs/dbraw/zinc/16/37/77/361163777.db2.gz FVOUPOJAMHLCQS-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO Cc1nnc(N[C@H](C)CCC[NH3+])nc1C ZINC000159038590 361220842 /nfs/dbraw/zinc/22/08/42/361220842.db2.gz KJIWHNRWDHHDRT-SSDOTTSWSA-N 1 0 209.297 1.028 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000249201150 361320210 /nfs/dbraw/zinc/32/02/10/361320210.db2.gz TUZGGQPTQDOUMF-GHMZBOCLSA-N 1 0 229.320 1.154 10 0 BDAERO [NH3+]C1(c2ccnc(Br)c2)COC1 ZINC000095764017 181335153 /nfs/dbraw/zinc/33/51/53/181335153.db2.gz JTKYSUKYLHDJAR-UHFFFAOYSA-N 1 0 229.077 1.028 10 0 BDAERO C[C@@H]1C[C@@](CO)([NH2+]Cc2ccccc2)CCO1 ZINC000070371768 361510763 /nfs/dbraw/zinc/51/07/63/361510763.db2.gz MVJURCJGZSAQEB-OCCSQVGLSA-N 1 0 235.327 1.706 10 0 BDAERO NC1=CSC2=N[C@H](c3ccccc3)NC(=[NH2+])N12 ZINC000100904788 181337834 /nfs/dbraw/zinc/33/78/34/181337834.db2.gz MVOPXMJXVCDDKZ-SECBINFHSA-N 1 0 245.311 1.176 10 0 BDAERO [NH3+]C1CC(NC(=O)c2cc(Cl)ccc2F)C1 ZINC000036237327 181340271 /nfs/dbraw/zinc/34/02/71/181340271.db2.gz MVEMMRLMIWDZTJ-UHFFFAOYSA-N 1 0 242.681 1.699 10 0 BDAERO CO[C@H]1C[NH2+][C@](C)(c2nc(-c3ccco3)no2)C1 ZINC000629687613 361611861 /nfs/dbraw/zinc/61/18/61/361611861.db2.gz YENOYHQTHRWAOG-PELKAZGASA-N 1 0 249.270 1.553 10 0 BDAERO [NH3+]C1CC(NC(=O)CCC2CCCC2)C1 ZINC000036237241 181340308 /nfs/dbraw/zinc/34/03/08/181340308.db2.gz GWWXUZDQJLPSGG-UHFFFAOYSA-N 1 0 210.321 1.563 10 0 BDAERO C[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000070601207 361583778 /nfs/dbraw/zinc/58/37/78/361583778.db2.gz JKXZACNKXWQEFH-LLVKDONJSA-N 1 0 204.273 1.704 10 0 BDAERO [NH3+]C1CCC(C(=O)OC[C@H]2CCCO2)CC1 ZINC000048637231 181341200 /nfs/dbraw/zinc/34/12/00/181341200.db2.gz ZFFRHMVKSSGSQA-VQXHTEKXSA-N 1 0 227.304 1.226 10 0 BDAERO Cc1c(C[NH3+])cnn1Cc1cccs1 ZINC000070630867 361684279 /nfs/dbraw/zinc/68/42/79/361684279.db2.gz GXGHASVNCCRAPP-UHFFFAOYSA-N 1 0 207.302 1.760 10 0 BDAERO [NH3+]C1CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000070459740 181344479 /nfs/dbraw/zinc/34/44/79/181344479.db2.gz YJCRYDJLNBLAPW-CYBMUJFWSA-N 1 0 238.306 1.282 10 0 BDAERO CC[C@H](C)[N@@H+]1CCCC[C@@H]1C(N)=S ZINC000070663060 361708326 /nfs/dbraw/zinc/70/83/26/361708326.db2.gz KKSHUNORHHAYEE-DTWKUNHWSA-N 1 0 200.351 1.926 10 0 BDAERO C[C@@H](C[NH2+]CC1CCOCC1)N(C)C1CC1 ZINC000155972119 201377484 /nfs/dbraw/zinc/37/74/84/201377484.db2.gz BNLNWAJFNFUMTC-NSHDSACASA-N 1 0 226.364 1.485 10 0 BDAERO C[C@H]1CO[C@@H](C[NH3+])CN1Cc1ccccc1 ZINC000038673983 364051667 /nfs/dbraw/zinc/05/16/67/364051667.db2.gz SEZNKYANPTZLKD-AAEUAGOBSA-N 1 0 220.316 1.235 10 0 BDAERO CCCCCNC(=O)C1CCC([NH3+])CC1 ZINC000037481713 364063956 /nfs/dbraw/zinc/06/39/56/364063956.db2.gz QELSVCOEPXBTSC-UHFFFAOYSA-N 1 0 212.337 1.810 10 0 BDAERO CCCCNC(=O)NC[C@H]([NH3+])[C@@H](C)CC ZINC000725254984 541331985 /nfs/dbraw/zinc/33/19/85/541331985.db2.gz MKHWXWQRPSPGEI-UWVGGRQHSA-N 1 0 215.341 1.459 10 0 BDAERO CC(C)(C)NC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000725264559 541337402 /nfs/dbraw/zinc/33/74/02/541337402.db2.gz WWILDLKOMMABIU-ZWNOBZJWSA-N 1 0 239.363 1.840 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000725271283 541339649 /nfs/dbraw/zinc/33/96/49/541339649.db2.gz KDAYVSJYHTZFPP-SRVKXCTJSA-N 1 0 241.379 1.576 10 0 BDAERO CCC(C)(C)NC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000725271290 541339955 /nfs/dbraw/zinc/33/99/55/541339955.db2.gz KDILJGNANMUKAJ-WDEREUQCSA-N 1 0 241.379 1.801 10 0 BDAERO CCCOc1nccnc1N[C@H](C)C[C@@H](C)[NH3+] ZINC000630516372 364200656 /nfs/dbraw/zinc/20/06/56/364200656.db2.gz MMWOMNPYGILIKI-NXEZZACHSA-N 1 0 238.335 1.225 10 0 BDAERO [NH3+]CC(CO)(c1ccccc1)c1ccccc1 ZINC000037631293 181358160 /nfs/dbraw/zinc/35/81/60/181358160.db2.gz UOVODBFKILLZOV-UHFFFAOYSA-N 1 0 227.307 1.924 10 0 BDAERO Cc1cc(C)nc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630532991 364222979 /nfs/dbraw/zinc/22/29/79/364222979.db2.gz MIYNYXZVFVFURD-GZMMTYOYSA-N 1 0 220.320 1.646 10 0 BDAERO [NH3+]CC1(CC2CCOCC2)CCOCC1 ZINC000061673967 181358851 /nfs/dbraw/zinc/35/88/51/181358851.db2.gz DPXRYRWSEIXJIP-UHFFFAOYSA-N 1 0 213.321 1.559 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000630543828 364238605 /nfs/dbraw/zinc/23/86/05/364238605.db2.gz CYEHFNJBFZJYRY-NKWVEPMBSA-N 1 0 246.236 1.080 10 0 BDAERO [NH3+][C@H]1CCCCCN(c2ncnc3[nH]ccc32)C1 ZINC000630548354 364245330 /nfs/dbraw/zinc/24/53/30/364245330.db2.gz AAIDTCMNGZTBQQ-JTQLQIEISA-N 1 0 245.330 1.666 10 0 BDAERO CC(C)c1nsc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630553097 364247859 /nfs/dbraw/zinc/24/78/59/364247859.db2.gz IDTQRLMHLGAWDZ-RKDXNWHRSA-N 1 0 240.376 1.693 10 0 BDAERO C[C@H]1CN(c2nnc(C(F)F)s2)C[C@@H]1C[NH3+] ZINC000630554517 364250463 /nfs/dbraw/zinc/25/04/63/364250463.db2.gz PTQHZQVBSWAMGD-WDSKDSINSA-N 1 0 248.302 1.507 10 0 BDAERO C[C@H]1CN(c2nccc3occc32)C[C@H]1C[NH3+] ZINC000630554504 364250898 /nfs/dbraw/zinc/25/08/98/364250898.db2.gz PPYCNJBOTVKDBD-VHSXEESVSA-N 1 0 231.299 1.859 10 0 BDAERO Cc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)nc(C)n1 ZINC000630565860 364263779 /nfs/dbraw/zinc/26/37/79/364263779.db2.gz AMAYVGVZRDKJBU-GZMMTYOYSA-N 1 0 220.320 1.124 10 0 BDAERO Cc1cccc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630568693 364265011 /nfs/dbraw/zinc/26/50/11/364265011.db2.gz IQEYYYMRSRHPBQ-GXSJLCMTSA-N 1 0 205.305 1.421 10 0 BDAERO C[C@@H]1CN(c2ncccc2F)C[C@@H]1C[NH3+] ZINC000630571766 364267123 /nfs/dbraw/zinc/26/71/23/364267123.db2.gz PNSOTDRBTVVHCV-BDAKNGLRSA-N 1 0 209.268 1.252 10 0 BDAERO C[C@H]1CN(c2ccncc2Cl)C[C@H]1C[NH3+] ZINC000630572298 364268375 /nfs/dbraw/zinc/26/83/75/364268375.db2.gz QXXGZNOFFAWRHK-DTWKUNHWSA-N 1 0 225.723 1.766 10 0 BDAERO C[C@@H]1CC[C@H](Nc2ncccc2F)C[NH2+]1 ZINC000630534328 364227196 /nfs/dbraw/zinc/22/71/96/364227196.db2.gz JVHRPSZDFBJODY-BDAKNGLRSA-N 1 0 209.268 1.773 10 0 BDAERO C[C@H]1CC[C@H](Nc2ncccc2F)C[NH2+]1 ZINC000630534330 364228341 /nfs/dbraw/zinc/22/83/41/364228341.db2.gz JVHRPSZDFBJODY-IUCAKERBSA-N 1 0 209.268 1.773 10 0 BDAERO COc1ccnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630535724 364230807 /nfs/dbraw/zinc/23/08/07/364230807.db2.gz ZHOGIIRZSOABIO-RKDXNWHRSA-N 1 0 222.292 1.038 10 0 BDAERO [NH3+]CC1(c2ccc(F)cc2)OCCCO1 ZINC000057496527 181362579 /nfs/dbraw/zinc/36/25/79/181362579.db2.gz LYHWXDCFWHLHBI-UHFFFAOYSA-N 1 0 211.236 1.374 10 0 BDAERO [NH3+]CC1(c2nnc3n2CCCC3)CCCCC1 ZINC000083334796 181364531 /nfs/dbraw/zinc/36/45/31/181364531.db2.gz CSVQEXORVRTBOD-UHFFFAOYSA-N 1 0 234.347 1.775 10 0 BDAERO CCCC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000217369518 364431884 /nfs/dbraw/zinc/43/18/84/364431884.db2.gz OGZAOHLNVQFAPP-FGWVZKOKSA-N 1 0 210.321 1.433 10 0 BDAERO Cc1nc(C)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)o1 ZINC000311700386 541362070 /nfs/dbraw/zinc/36/20/70/541362070.db2.gz RRRQGFXESFCQMD-GWCFXTLKSA-N 1 0 249.358 1.960 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000170855948 364531597 /nfs/dbraw/zinc/53/15/97/364531597.db2.gz RTPAIFPCJOCLMH-SNVBAGLBSA-N 1 0 212.337 1.585 10 0 BDAERO CCC(C)(C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868328 364547278 /nfs/dbraw/zinc/54/72/78/364547278.db2.gz JMCLOGABHFUBQA-SNVBAGLBSA-N 1 0 212.337 1.585 10 0 BDAERO Cc1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246932513 364615192 /nfs/dbraw/zinc/61/51/92/364615192.db2.gz OPTSASRPRHUAMJ-NSHDSACASA-N 1 0 218.304 1.069 10 0 BDAERO CCSCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246943226 364615724 /nfs/dbraw/zinc/61/57/24/364615724.db2.gz QVVLUKBJROEOEI-NSHDSACASA-N 1 0 214.378 1.520 10 0 BDAERO [NH3+]CCC(=O)Nc1cc(F)cc(F)c1F ZINC000061118037 181368583 /nfs/dbraw/zinc/36/85/83/181368583.db2.gz WFVFFMCRNCFNKM-UHFFFAOYSA-N 1 0 218.178 1.391 10 0 BDAERO [NH3+]CCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000011755200 181368835 /nfs/dbraw/zinc/36/88/35/181368835.db2.gz YLJXEVOKOMUKQR-UHFFFAOYSA-N 1 0 233.315 1.574 10 0 BDAERO CC[C@@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248156630 364628325 /nfs/dbraw/zinc/62/83/25/364628325.db2.gz RKLKSIILYAOHTG-YNEHKIRRSA-N 1 0 227.348 1.384 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000081926330 541380957 /nfs/dbraw/zinc/38/09/57/541380957.db2.gz UOUZOYJFBVKJOM-RKDXNWHRSA-N 1 0 219.350 1.327 10 0 BDAERO CCCS(=O)(=O)[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C ZINC000081941081 541383376 /nfs/dbraw/zinc/38/33/76/541383376.db2.gz SBNAQCQQUKJXSQ-QWRGUYRKSA-N 1 0 247.404 1.978 10 0 BDAERO [NH3+]CCCC(=O)Nc1cc(F)cc(F)c1F ZINC000061118901 181372569 /nfs/dbraw/zinc/37/25/69/181372569.db2.gz BOJDFDYCBZPMOH-UHFFFAOYSA-N 1 0 232.205 1.781 10 0 BDAERO [NH3+]CCCCCn1c(=O)cnc2ccccc21 ZINC000049581941 181376255 /nfs/dbraw/zinc/37/62/55/181376255.db2.gz BNFUGHMUIFSEFA-UHFFFAOYSA-N 1 0 231.299 1.526 10 0 BDAERO [NH3+]CCCCS(=O)(=O)Cc1ccccc1 ZINC000058251527 181378632 /nfs/dbraw/zinc/37/86/32/181378632.db2.gz KODKNRMEJSGMQC-UHFFFAOYSA-N 1 0 227.329 1.340 10 0 BDAERO [NH3+]CCCCOc1ccc2c(c1)CCC(=O)N2 ZINC000019268659 181378875 /nfs/dbraw/zinc/37/88/75/181378875.db2.gz PENBHTHCRIPONR-UHFFFAOYSA-N 1 0 234.299 1.689 10 0 BDAERO CC(C)(C)C(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125040223 541449816 /nfs/dbraw/zinc/44/98/16/541449816.db2.gz LSVVUFUOFCSVOZ-SNVBAGLBSA-N 1 0 212.337 1.762 10 0 BDAERO [NH3+]CCCNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000019514342 181381571 /nfs/dbraw/zinc/38/15/71/181381571.db2.gz BRMVLNIWUZKTLE-HBNTYKKESA-N 1 0 210.321 1.278 10 0 BDAERO [NH3+]CCCNC(=O)c1nccc2ccccc21 ZINC000051354971 181382604 /nfs/dbraw/zinc/38/26/04/181382604.db2.gz XTMBLNWWSDAAFE-UHFFFAOYSA-N 1 0 229.283 1.313 10 0 BDAERO [NH3+]CCC[C@@H](C(=O)NC1CC1)c1ccccn1 ZINC000076615376 181384419 /nfs/dbraw/zinc/38/44/19/181384419.db2.gz VELHDQCEQNGWOO-LLVKDONJSA-N 1 0 233.315 1.183 10 0 BDAERO [NH3+]CCC[C@@H](C(=O)NC1CC1)c1cccnc1 ZINC000076615380 181384444 /nfs/dbraw/zinc/38/44/44/181384444.db2.gz OXKSKYIYJMTUHE-GFCCVEGCSA-N 1 0 233.315 1.183 10 0 BDAERO [NH3+]CCCS(=O)(=O)c1ccc2ccccc2c1 ZINC000035676415 181385019 /nfs/dbraw/zinc/38/50/19/181385019.db2.gz SKLSUXHOYLEFLM-UHFFFAOYSA-N 1 0 249.335 1.962 10 0 BDAERO [NH3+]CCCOc1ccc(NC(=O)C2CC2)cc1 ZINC000020224585 181385021 /nfs/dbraw/zinc/38/50/21/181385021.db2.gz HKMSZSZCQGFPCS-UHFFFAOYSA-N 1 0 234.299 1.763 10 0 BDAERO [NH3+]CCC[S@](=O)c1ccc(F)cc1 ZINC000040954710 181385359 /nfs/dbraw/zinc/38/53/59/181385359.db2.gz BMVOVYMYUMFXIS-CYBMUJFWSA-N 1 0 201.266 1.282 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000252647472 541451339 /nfs/dbraw/zinc/45/13/39/541451339.db2.gz UGJQZAYPHXSMOD-ZYHUDNBSSA-N 1 0 212.337 1.095 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000168860717 365020736 /nfs/dbraw/zinc/02/07/36/365020736.db2.gz JFNURVXETQPUND-MNOVXSKESA-N 1 0 208.305 1.292 10 0 BDAERO [NH3+]CCCc1nnc(-c2cncc(F)c2)o1 ZINC000083351737 181387986 /nfs/dbraw/zinc/38/79/86/181387986.db2.gz SVZZNSMRPZJUKU-UHFFFAOYSA-N 1 0 222.223 1.162 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccncc2)s1 ZINC000040541858 181388677 /nfs/dbraw/zinc/38/86/77/181388677.db2.gz ZJTNJVUTMPAEQY-UHFFFAOYSA-N 1 0 220.301 1.491 10 0 BDAERO [NH3+]CCN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000076618306 181390726 /nfs/dbraw/zinc/39/07/26/181390726.db2.gz LSXDENKQIGDSAB-CYBMUJFWSA-N 1 0 235.331 1.021 10 0 BDAERO [NH3+]CCN(Cc1ccccc1)C(=O)C(F)(F)F ZINC000074534796 181390873 /nfs/dbraw/zinc/39/08/73/181390873.db2.gz GIGRNBHQHYGDCB-UHFFFAOYSA-N 1 0 246.232 1.536 10 0 BDAERO [NH3+]CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000037921554 181394678 /nfs/dbraw/zinc/39/46/78/181394678.db2.gz ABFALPHNBWHMQU-OLZOCXBDSA-N 1 0 248.326 1.229 10 0 BDAERO [NH3+]CCNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000048592248 181395353 /nfs/dbraw/zinc/39/53/53/181395353.db2.gz VJCJVWQQUGEQEU-UHFFFAOYSA-N 1 0 234.086 1.077 10 0 BDAERO [NH3+]CCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000237931519 181395421 /nfs/dbraw/zinc/39/54/21/181395421.db2.gz UPMGCRAHIGMBBC-MNOVXSKESA-N 1 0 238.718 1.518 10 0 BDAERO [NH3+]CCNCc1cc(Br)cs1 ZINC000037712718 181397826 /nfs/dbraw/zinc/39/78/26/181397826.db2.gz HBWKJKZTRDKCQQ-UHFFFAOYSA-N 1 0 235.150 1.559 10 0 BDAERO [NH3+]CCOc1ccc(-c2ncco2)cc1 ZINC000082532084 181399113 /nfs/dbraw/zinc/39/91/13/181399113.db2.gz ZTRADFORDHEYDU-UHFFFAOYSA-N 1 0 204.229 1.679 10 0 BDAERO [NH3+]CCOCCc1ccc(F)c(F)c1 ZINC000057937791 181399511 /nfs/dbraw/zinc/39/95/11/181399511.db2.gz CWUIIDFFBXDEHN-UHFFFAOYSA-N 1 0 201.216 1.483 10 0 BDAERO [NH3+]CCOCCOc1ccccc1Cl ZINC000020221437 181399549 /nfs/dbraw/zinc/39/95/49/181399549.db2.gz ACENCPHMTXXMBS-UHFFFAOYSA-N 1 0 215.680 1.694 10 0 BDAERO [NH3+]CCOCCc1ccc2c(c1)CCCO2 ZINC000077332456 181399646 /nfs/dbraw/zinc/39/96/46/181399646.db2.gz BVDYLDRHJQKDOT-UHFFFAOYSA-N 1 0 221.300 1.529 10 0 BDAERO [NH3+]CCc1cn2cc(F)cc(Cl)c2n1 ZINC000082694409 181412709 /nfs/dbraw/zinc/41/27/09/181412709.db2.gz JTVZSVBAJGUVOY-UHFFFAOYSA-N 1 0 213.643 1.628 10 0 BDAERO CCOCCN(CC)Cc1nnc(CC)n1C ZINC000171634844 365222916 /nfs/dbraw/zinc/22/29/16/365222916.db2.gz VUASJNFOQBZVOB-UHFFFAOYSA-N 1 0 240.351 1.236 10 0 BDAERO [NH3+]CCc1csc(NC2=NCCS2)n1 ZINC000020185376 181413493 /nfs/dbraw/zinc/41/34/93/181413493.db2.gz CSUPQUXNHDYSHK-UHFFFAOYSA-N 1 0 228.346 1.159 10 0 BDAERO [NH3+]CCc1nnc(Cc2c(F)cccc2F)o1 ZINC000083366720 181414436 /nfs/dbraw/zinc/41/44/36/181414436.db2.gz RSRYJTKFGXGYMG-UHFFFAOYSA-N 1 0 239.225 1.440 10 0 BDAERO [NH3+]CCn1nnnc1C12CC3CC(CC(C3)C1)C2 ZINC000055270696 181416898 /nfs/dbraw/zinc/41/68/98/181416898.db2.gz IASFIKLXCACFQM-UHFFFAOYSA-N 1 0 247.346 1.100 10 0 BDAERO C[C@H]1C[N@H+](CCN2CCCC2=O)CCS1 ZINC000171690971 365227378 /nfs/dbraw/zinc/22/73/78/365227378.db2.gz LADBOPFHXFCPHE-JTQLQIEISA-N 1 0 228.361 1.046 10 0 BDAERO [NH3+]C[C@@H](O)CSc1ccc(Cl)cc1 ZINC000006093157 181421507 /nfs/dbraw/zinc/42/15/07/181421507.db2.gz DQNKXYAQQCITGJ-MRVPVSSYSA-N 1 0 217.721 1.752 10 0 BDAERO [NH3+]C[C@@H](O)Cc1cc(Cl)ccc1F ZINC000076165557 181422228 /nfs/dbraw/zinc/42/22/28/181422228.db2.gz BYAANPAZFCDCEV-QMMMGPOBSA-N 1 0 203.644 1.341 10 0 BDAERO CC[N@@H+]1CC[C@@H](NCc2nc(C)c(C)[nH]2)C1 ZINC000575816869 365373439 /nfs/dbraw/zinc/37/34/39/365373439.db2.gz YNHARFUDZGICDH-LLVKDONJSA-N 1 0 222.336 1.210 10 0 BDAERO COc1cc(C)cc2c1OC[C@@H]([C@H](C)[NH3+])C2 ZINC000675063793 541465202 /nfs/dbraw/zinc/46/52/02/541465202.db2.gz OYPIEUBAEOAODL-ONGXEEELSA-N 1 0 221.300 1.902 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@@H]1c1cccc(C2CC2)c1 ZINC000685965917 541498155 /nfs/dbraw/zinc/49/81/55/541498155.db2.gz YTIANQNGSSCAPK-KGLIPLIRSA-N 1 0 216.328 1.968 10 0 BDAERO CC(C)c1cc2n(n1)[C@@H]1CC[NH2+]C[C@H]1CN2 ZINC000232769412 541505625 /nfs/dbraw/zinc/50/56/25/541505625.db2.gz DNDNKHQCXRXZHB-GXSJLCMTSA-N 1 0 220.320 1.583 10 0 BDAERO CC(C)[C@@H]1CC[NH+]=C2N[C@H]3CCCC[C@@H]3N21 ZINC000232721091 541506076 /nfs/dbraw/zinc/50/60/76/541506076.db2.gz GFMIVHUVKWUHND-SRVKXCTJSA-N 1 0 221.348 1.987 10 0 BDAERO CCOC(=O)[C@@H]1CNc2[nH+]c(C)cn2[C@@H]1C ZINC000233990463 541511537 /nfs/dbraw/zinc/51/15/37/541511537.db2.gz KGVIRYGYDVMJJT-RKDXNWHRSA-N 1 0 223.276 1.357 10 0 BDAERO CC1(C)[C@H]([NH2+]Cc2ncccn2)[C@@H]2CCO[C@@H]21 ZINC000579732817 366997984 /nfs/dbraw/zinc/99/79/84/366997984.db2.gz CVGHYUVWNRDDEE-WCQGTBRESA-N 1 0 233.315 1.380 10 0 BDAERO CO[C@@H]([C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000579822393 367023710 /nfs/dbraw/zinc/02/37/10/367023710.db2.gz GVKHLIROASEFIM-WVWOOGAGSA-N 1 0 240.391 1.778 10 0 BDAERO CC[C@@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000369825066 367129241 /nfs/dbraw/zinc/12/92/41/367129241.db2.gz RFFKFECHDRMLGS-UTUOFQBUSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@@H]1[C@H](C)OCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000380569821 367244240 /nfs/dbraw/zinc/24/42/40/367244240.db2.gz RGGPRZKVIAZMJV-GRYCIOLGSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000381991722 367476493 /nfs/dbraw/zinc/47/64/93/367476493.db2.gz HSWMXZCYGIOHPQ-SVNGYHJRSA-N 1 0 222.332 1.432 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1ncnc2sccc21 ZINC000381830951 367460588 /nfs/dbraw/zinc/46/05/88/367460588.db2.gz XKAJVIDHKDKGAQ-RNFRBKRXSA-N 1 0 222.317 1.839 10 0 BDAERO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1C[C@H]1CO ZINC000382216387 367499326 /nfs/dbraw/zinc/49/93/26/367499326.db2.gz LXPVSHVSZOKMDJ-ZDEQEGDKSA-N 1 0 209.333 1.949 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000382327492 367507425 /nfs/dbraw/zinc/50/74/25/367507425.db2.gz YIDJGZVTACMZCQ-JQCXWYLXSA-N 1 0 239.237 1.067 10 0 BDAERO CCOc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)ncn1 ZINC000382416865 367519034 /nfs/dbraw/zinc/51/90/34/367519034.db2.gz HTXXVNADMFIVMK-VHSXEESVSA-N 1 0 236.319 1.415 10 0 BDAERO C=CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037790508 367524877 /nfs/dbraw/zinc/52/48/77/367524877.db2.gz GKLQPERVZZFUNA-UHFFFAOYSA-N 1 0 210.321 1.552 10 0 BDAERO C[NH2+][C@@H]1CCN([C@@H]2CS[C@H](C)C2)C1 ZINC000252692057 367597738 /nfs/dbraw/zinc/59/77/38/367597738.db2.gz ZWHJYKRSSUPPRO-BBBLOLIVSA-N 1 0 200.351 1.174 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCCOCC1 ZINC000383986997 367666644 /nfs/dbraw/zinc/66/66/44/367666644.db2.gz KUPLVOFRQGEFLE-RYUDHWBXSA-N 1 0 240.347 1.061 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000384608652 367707672 /nfs/dbraw/zinc/70/76/72/367707672.db2.gz OQMWVJHORRKAOV-QNWHQSFQSA-N 1 0 226.364 1.626 10 0 BDAERO CSCCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384781086 367730993 /nfs/dbraw/zinc/73/09/93/367730993.db2.gz UCLJVMNXXPYDCK-VHSXEESVSA-N 1 0 203.351 1.585 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H](C)O1 ZINC000384966491 367766889 /nfs/dbraw/zinc/76/68/89/367766889.db2.gz SQSHBXCNDFVOIF-ZNSHCXBVSA-N 1 0 215.337 1.549 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCOCC(F)(F)F ZINC000385041022 367777172 /nfs/dbraw/zinc/77/71/72/367777172.db2.gz REPWJGIGIHEGBW-DTWKUNHWSA-N 1 0 241.253 1.411 10 0 BDAERO CO[C@H](C)c1nsc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385160278 367803230 /nfs/dbraw/zinc/80/32/30/367803230.db2.gz BGRIKOOUXQXSPE-BWZBUEFSSA-N 1 0 242.348 1.171 10 0 BDAERO C[C@@H]1OCC[C@@H]1[N@H+](C)[C@H]1CCCC(=O)C1 ZINC000252744564 367906506 /nfs/dbraw/zinc/90/65/06/367906506.db2.gz NXLIHPOEHGGNNZ-NHCYSSNCSA-N 1 0 211.305 1.607 10 0 BDAERO C[C@@H]1OCC[C@H]1[N@H+](C)[C@H]1CCCCC1=O ZINC000252748539 367906758 /nfs/dbraw/zinc/90/67/58/367906758.db2.gz UBDUEHMTLLTGBV-AXFHLTTASA-N 1 0 211.305 1.607 10 0 BDAERO C[C@H](CO)S[C@@H]1CCCCC[C@H]1[NH3+] ZINC000252748265 367907162 /nfs/dbraw/zinc/90/71/62/367907162.db2.gz DEUCTOLAGAISGH-OPRDCNLKSA-N 1 0 203.351 1.760 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000386121963 367915785 /nfs/dbraw/zinc/91/57/85/367915785.db2.gz CJKRMUHACZJLBW-STQMWFEESA-N 1 0 243.391 1.924 10 0 BDAERO Cc1cnc(N[C@H]2CCC[NH2+][C@H]2C)nc1C ZINC000386462775 367977052 /nfs/dbraw/zinc/97/70/52/367977052.db2.gz NNRYHWPQUMWHEE-QWRGUYRKSA-N 1 0 220.320 1.646 10 0 BDAERO CCN(CC(F)F)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000387047289 368044550 /nfs/dbraw/zinc/04/45/50/368044550.db2.gz MWCZRSSUBXWXIH-SNVBAGLBSA-N 1 0 220.263 1.242 10 0 BDAERO C[NH2+]C[C@H]1CCN(C)[C@H]1c1nccs1 ZINC000252761078 368053675 /nfs/dbraw/zinc/05/36/75/368053675.db2.gz MTBQSRAYFWGPSK-RKDXNWHRSA-N 1 0 211.334 1.355 10 0 BDAERO Cc1cnc(N(C)CC[C@H]([NH3+])C(C)C)nc1C ZINC000386690147 368010153 /nfs/dbraw/zinc/01/01/53/368010153.db2.gz RODPVPPESDVMQL-LBPRGKRZSA-N 1 0 236.363 1.903 10 0 BDAERO CC[NH2+][C@H](C)CNc1ccc(OC(F)F)cn1 ZINC000387446065 368194222 /nfs/dbraw/zinc/19/42/22/368194222.db2.gz AODVWKQDHPQDOW-MRVPVSSYSA-N 1 0 245.273 1.515 10 0 BDAERO C(CN1CCCCC1)[NH2+]CCN1CCCCC1 ZINC000038272634 368325150 /nfs/dbraw/zinc/32/51/50/368325150.db2.gz SLMNDIYPPRDYLT-UHFFFAOYSA-N 1 0 239.407 1.548 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)c1ccc2c(c1)OCO2 ZINC000074047497 368336469 /nfs/dbraw/zinc/33/64/69/368336469.db2.gz ARAQGTAUSQZIPW-SECBINFHSA-N 1 0 221.256 1.725 10 0 BDAERO CC1(OC(=O)N2CCC([NH2+]C3CC3)CC2)CC1 ZINC000224135338 368366069 /nfs/dbraw/zinc/36/60/69/368366069.db2.gz NVWKXTIOIWKNBH-UHFFFAOYSA-N 1 0 238.331 1.892 10 0 BDAERO C[NH2+][C@@H](c1cncnc1)[C@H]1CCSC1 ZINC000161417448 368517351 /nfs/dbraw/zinc/51/73/51/368517351.db2.gz QUQQWTGEIZRXIB-WCBMZHEXSA-N 1 0 209.318 1.490 10 0 BDAERO CC(C)c1nsc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000083670141 368801730 /nfs/dbraw/zinc/80/17/30/368801730.db2.gz PZOIUHCGPBAYEQ-MRVPVSSYSA-N 1 0 226.349 1.589 10 0 BDAERO COC(=O)c1ccccc1OCCCC[NH3+] ZINC000044249880 368893644 /nfs/dbraw/zinc/89/36/44/368893644.db2.gz RAVGFLPLFPTEMO-UHFFFAOYSA-N 1 0 223.272 1.591 10 0 BDAERO CC[C@@H]1C[NH2+]CC[C@]12NC[C@H](C)S2 ZINC000253349654 368935972 /nfs/dbraw/zinc/93/59/72/368935972.db2.gz ZOEOERQUHSEHKU-IVZWLZJFSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@H]([NH3+])c1nnc([C@@H]2CO[C@H](C)C2)s1 ZINC000253362044 368940017 /nfs/dbraw/zinc/94/00/17/368940017.db2.gz FNRYEPDTAUCRFD-VQVTYTSYSA-N 1 0 213.306 1.450 10 0 BDAERO O[C@@H](c1ccccc1)[C@@H]1CCN2CCC[NH+]=C12 ZINC000114635251 368945772 /nfs/dbraw/zinc/94/57/72/368945772.db2.gz KGDFKJYYPRCAEH-STQMWFEESA-N 1 0 230.311 1.844 10 0 BDAERO [NH3+][C@@H]1CCc2c1cccc2N1CCOCC1 ZINC000115634628 369004824 /nfs/dbraw/zinc/00/48/24/369004824.db2.gz JRRRSYKGNQELGI-GFCCVEGCSA-N 1 0 218.300 1.469 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CS1 ZINC000623766804 369031461 /nfs/dbraw/zinc/03/14/61/369031461.db2.gz MOKBYVNNJYNJHJ-RCWTZXSCSA-N 1 0 231.361 1.010 10 0 BDAERO CCN(CC)C(=O)O[C@H]1CCCC[C@H]1[NH3+] ZINC000131788400 259536057 /nfs/dbraw/zinc/53/60/57/259536057.db2.gz VMHLZHHBRACUTB-ZJUUUORDSA-N 1 0 214.309 1.735 10 0 BDAERO [NH3+][C@@H](C1CCC1)[C@H]1CSCCS1 ZINC000161435616 369084350 /nfs/dbraw/zinc/08/43/50/369084350.db2.gz NSSJPRAIFSFFAX-BDAKNGLRSA-N 1 0 203.376 1.962 10 0 BDAERO [NH3+]Cc1nccc(Cl)c1Br ZINC000616567876 369091576 /nfs/dbraw/zinc/09/15/76/369091576.db2.gz PSGCDOWFXHQXKU-UHFFFAOYSA-N 1 0 221.485 1.956 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2ccon2)CC1 ZINC000616600388 369100464 /nfs/dbraw/zinc/10/04/64/369100464.db2.gz DELWRCFALOZIHO-SNVBAGLBSA-N 1 0 209.293 1.203 10 0 BDAERO [NH3+]C[C@@]1(CO)C[C@H]1c1ccc(Cl)c(F)c1 ZINC000070500156 181441437 /nfs/dbraw/zinc/44/14/37/181441437.db2.gz PVMUHBGYQLLMPJ-GZMMTYOYSA-N 1 0 229.682 1.904 10 0 BDAERO [NH3+]C[C@H]1CC(=O)Nc2cc(Cl)ccc21 ZINC000057939126 181457176 /nfs/dbraw/zinc/45/71/76/181457176.db2.gz SEIXKOPRUBVVBP-ZCFIWIBFSA-N 1 0 210.664 1.725 10 0 BDAERO [NH3+]C[C@H](Cc1ccccc1)C(=O)NC1CCC1 ZINC000052209319 181445478 /nfs/dbraw/zinc/44/54/78/181445478.db2.gz JLSYAIBJMNZATP-LBPRGKRZSA-N 1 0 232.327 1.473 10 0 BDAERO [NH3+]CCN1CCCO[C@H](c2cccc(F)c2)C1 ZINC000616682418 369111189 /nfs/dbraw/zinc/11/11/89/369111189.db2.gz YXPJGGBSCUIGME-ZDUSSCGKSA-N 1 0 238.306 1.548 10 0 BDAERO [NH3+]CCN1C[C@@H](c2cn[nH]c2)Nc2ccccc21 ZINC000616691507 369113395 /nfs/dbraw/zinc/11/33/95/369113395.db2.gz CEYLKRCZDBEYLW-LBPRGKRZSA-N 1 0 243.314 1.342 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](COc2ccc(F)c(F)c2)O1 ZINC000052700579 181466194 /nfs/dbraw/zinc/46/61/94/181466194.db2.gz OVBSLOMNLAANCL-NXEZZACHSA-N 1 0 243.253 1.850 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](CCc2cccnc2)O1 ZINC000040836657 181466308 /nfs/dbraw/zinc/46/63/08/181466308.db2.gz LCUQDUYHYRSPMJ-NWDGAFQWSA-N 1 0 206.289 1.521 10 0 BDAERO [NH3+]Cc1cc(F)ccc1N1CCCC1=O ZINC000082640621 181476408 /nfs/dbraw/zinc/47/64/08/181476408.db2.gz YBZYPDZRSGAOAH-UHFFFAOYSA-N 1 0 208.236 1.411 10 0 BDAERO [NH3+]Cc1cc(O[C@@H]2CCOC2)nc2ccccc12 ZINC000111820433 181477153 /nfs/dbraw/zinc/47/71/53/181477153.db2.gz SXOBPNXBVAGHCG-LLVKDONJSA-N 1 0 244.294 1.861 10 0 BDAERO CC(C)(C)[C@](O)(C[NH3+])C1CCOCC1 ZINC000106879813 369209718 /nfs/dbraw/zinc/20/97/18/369209718.db2.gz ZKRPXXDQCVPBES-NSHDSACASA-N 1 0 201.310 1.149 10 0 BDAERO C[C@H]1CN(CC(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000631843430 369375622 /nfs/dbraw/zinc/37/56/22/369375622.db2.gz NOLFNOZTHJEXBT-RYUDHWBXSA-N 1 0 247.342 1.152 10 0 BDAERO CC(C)CCC[NH2+][C@H]1CCOC[C@H]1O ZINC000623767419 369395028 /nfs/dbraw/zinc/39/50/28/369395028.db2.gz VORHBXSMVPINDY-WDEREUQCSA-N 1 0 201.310 1.162 10 0 BDAERO c1cc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)cs1 ZINC000404194180 369422614 /nfs/dbraw/zinc/42/26/14/369422614.db2.gz MNDYMYXHFHJUIN-NWDGAFQWSA-N 1 0 238.356 1.311 10 0 BDAERO [NH3+]Cc1ccc(C(=O)NC2CCC(O)CC2)cc1 ZINC000022174508 181481247 /nfs/dbraw/zinc/48/12/47/181481247.db2.gz XUEOPYLGYHPSDL-UHFFFAOYSA-N 1 0 248.326 1.179 10 0 BDAERO [NH3+]Cc1ccnc(Br)c1OC1CC1 ZINC000095738112 181490157 /nfs/dbraw/zinc/49/01/57/181490157.db2.gz NKUJKWPAZNWHHF-UHFFFAOYSA-N 1 0 243.104 1.844 10 0 BDAERO C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[NH+](C)C ZINC000251106182 369669519 /nfs/dbraw/zinc/66/95/19/369669519.db2.gz ODOPDHSMDBYEGZ-MMWGEVLESA-N 1 0 210.321 1.099 10 0 BDAERO CS[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000307338321 369999294 /nfs/dbraw/zinc/99/92/94/369999294.db2.gz QFXMHCQTQANVLM-IVZWLZJFSA-N 1 0 201.335 1.337 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000252513059 370064592 /nfs/dbraw/zinc/06/45/92/370064592.db2.gz JEHFKSIGPIWILB-HZSPNIEDSA-N 1 0 240.391 1.875 10 0 BDAERO C[C@H](CNC(=O)N[C@H]1C[C@@H]1C)C[NH+]1CCCC1 ZINC000076075410 370211068 /nfs/dbraw/zinc/21/10/68/370211068.db2.gz GVXLABRJTGMFOC-WOPDTQHZSA-N 1 0 239.363 1.426 10 0 BDAERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[C@@H]2C)C1 ZINC000076035452 370204019 /nfs/dbraw/zinc/20/40/19/370204019.db2.gz JFEIRYJKVGEQME-QJPTWQEYSA-N 1 0 239.363 1.426 10 0 BDAERO Cc1c[nH]c2c1C(=O)N(CC[NH+]1CCCC1)CC2 ZINC000113217022 370389097 /nfs/dbraw/zinc/38/90/97/370389097.db2.gz PJFIDGLBPZUECX-UHFFFAOYSA-N 1 0 247.342 1.417 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000310261864 370330238 /nfs/dbraw/zinc/33/02/38/370330238.db2.gz DBTIUCQNRBNXOP-ILDUYXDCSA-N 1 0 242.363 1.027 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623768514 370335451 /nfs/dbraw/zinc/33/54/51/370335451.db2.gz YMUWVIMHMQCBDZ-JSGCOSHPSA-N 1 0 246.310 1.407 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCC[C@@H]1CC1(F)F ZINC000621670512 370420437 /nfs/dbraw/zinc/42/04/37/370420437.db2.gz PXXMVHVRQBWBGA-NXEZZACHSA-N 1 0 246.301 1.538 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC[C@H]1CC1(F)F ZINC000621670777 370420802 /nfs/dbraw/zinc/42/08/02/370420802.db2.gz XXEDXTNKMANXGK-IUCAKERBSA-N 1 0 234.290 1.521 10 0 BDAERO CCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113575529 370429517 /nfs/dbraw/zinc/42/95/17/370429517.db2.gz HPKDZLCXAPVEOF-RYUDHWBXSA-N 1 0 239.363 1.665 10 0 BDAERO CC1=[N+]([O-])C(C)(C)[N+](O)=C1c1ccccc1 ZINC000225385709 370470757 /nfs/dbraw/zinc/47/07/57/370470757.db2.gz FSKSWPXAOIVYEJ-UHFFFAOYSA-N 1 0 220.272 1.490 10 0 BDAERO [O-][N+]1=CC(c2ccccc2)=[N+](O)[C@@H]2CCCC[C@@H]21 ZINC000225398343 370522993 /nfs/dbraw/zinc/52/29/93/370522993.db2.gz YDHZFWSPVXDMRR-QWHCGFSZSA-N 1 0 246.310 1.675 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(C(=O)C2CC(C)C2)C1 ZINC000568509522 326360836 /nfs/dbraw/zinc/36/08/36/326360836.db2.gz SIHVVTYSMGZTNC-CXQJBGSLSA-N 1 0 224.348 1.491 10 0 BDAERO CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H]2C[C@H]2CO)C1 ZINC000378661842 371011979 /nfs/dbraw/zinc/01/19/79/371011979.db2.gz CARTVVNQRQXKKO-FOUMNBMASA-N 1 0 209.333 1.949 10 0 BDAERO COCc1nc(C[NH2+]C[C@H]2C[C@@H](O)C2)cs1 ZINC000623750046 371077822 /nfs/dbraw/zinc/07/78/22/371077822.db2.gz XXRAITULLHURBW-WAAGHKOSSA-N 1 0 242.344 1.150 10 0 BDAERO CC[C@@H](O)C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328654128 371136113 /nfs/dbraw/zinc/13/61/13/371136113.db2.gz XFYROQFEOWUEDF-NWDGAFQWSA-N 1 0 237.347 1.148 10 0 BDAERO [NH3+]C1(CC(=O)c2cnccn2)CCCC1 ZINC000226459839 371106211 /nfs/dbraw/zinc/10/62/11/371106211.db2.gz PRIPQFHPMQCNOK-UHFFFAOYSA-N 1 0 205.261 1.321 10 0 BDAERO NNc1[nH+]c(N2CCCC2)nc2c1CCCC2 ZINC000051153375 181520259 /nfs/dbraw/zinc/52/02/59/181520259.db2.gz GZJKAIVVFIPLJD-UHFFFAOYSA-N 1 0 233.319 1.241 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc2ccccc2n1 ZINC000083284081 181545349 /nfs/dbraw/zinc/54/53/49/181545349.db2.gz FLHDAEVHGAJPQC-JTQLQIEISA-N 1 0 202.257 1.617 10 0 BDAERO [NH3+][C@H]1CCOC[C@H]1Oc1ccccc1F ZINC000038136734 181653038 /nfs/dbraw/zinc/65/30/38/181653038.db2.gz KOAPMUMMFJDHNU-GXSJLCMTSA-N 1 0 211.236 1.321 10 0 BDAERO [NH3+][C@H]1Cc2cc(Cl)cc(Cl)c2[C@@H]1O ZINC000019795398 181660736 /nfs/dbraw/zinc/66/07/36/181660736.db2.gz UIPIGMAGKVZZEZ-IONNQARKSA-N 1 0 218.083 1.910 10 0 BDAERO CCCCN(CC[NH3+])CC(=O)N[C@H](C)CCC ZINC000104303540 168810810 /nfs/dbraw/zinc/81/08/10/168810810.db2.gz NPXFOCPUNQBLAG-GFCCVEGCSA-N 1 0 243.395 1.352 10 0 BDAERO CCC[C@H](CC)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624238101 371426435 /nfs/dbraw/zinc/42/64/35/371426435.db2.gz KKGMHHNPMJBWAK-DCAQKATOSA-N 1 0 201.310 1.305 10 0 BDAERO Nc1ccc(S[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000051784206 181725022 /nfs/dbraw/zinc/72/50/22/181725022.db2.gz HFJOHXIGFZVDLU-MRVPVSSYSA-N 1 0 212.293 1.862 10 0 BDAERO CN1CCCC[C@@H]([NH3+])[C@@H]1c1cncs1 ZINC000161707067 371555306 /nfs/dbraw/zinc/55/53/06/371555306.db2.gz MSSYEIACKNXWMX-PSASIEDQSA-N 1 0 211.334 1.627 10 0 BDAERO [NH3+]CC1([C@@H](O)c2cncs2)CCCC1 ZINC000161776385 371563970 /nfs/dbraw/zinc/56/39/70/371563970.db2.gz GQHVBBMEHPKHAE-VIFPVBQESA-N 1 0 212.318 1.696 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@]1(O)C(F)(F)Br ZINC000225666710 371565542 /nfs/dbraw/zinc/56/55/42/371565542.db2.gz SBVMDWRLPCATLZ-WDSKDSINSA-N 1 0 244.079 1.335 10 0 BDAERO [NH3+]CC1(CN2C(=O)c3ccccc3C2=O)CC1 ZINC000302345552 371571076 /nfs/dbraw/zinc/57/10/76/371571076.db2.gz VQNFXDPRSRMKPK-UHFFFAOYSA-N 1 0 230.267 1.022 10 0 BDAERO Cn1ccnc1C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000226474003 371673498 /nfs/dbraw/zinc/67/34/98/371673498.db2.gz BCIAVEZNODVZML-DTWKUNHWSA-N 1 0 207.277 1.120 10 0 BDAERO [NH3+][C@@H]1CN(c2cc(F)cc(Cl)c2)C1=O ZINC000230065392 371644853 /nfs/dbraw/zinc/64/48/53/371644853.db2.gz AIGLQBSFBOSCJD-MRVPVSSYSA-N 1 0 214.627 1.153 10 0 BDAERO O=C(c1c(F)cccc1F)[C@@H]1CC[NH2+]C1 ZINC000226329769 371647461 /nfs/dbraw/zinc/64/74/61/371647461.db2.gz PBGHAQKFMJXLJG-SSDOTTSWSA-N 1 0 211.211 1.757 10 0 BDAERO Cc1nc(CC(=O)[C@@H]2CC[NH2+]C2)cs1 ZINC000226331010 371648865 /nfs/dbraw/zinc/64/88/65/371648865.db2.gz QNTVOKUWBIIEEY-MRVPVSSYSA-N 1 0 210.302 1.173 10 0 BDAERO [NH3+][C@@H]1COC[C@H]1C(=O)CC1CCCCC1 ZINC000226611427 371706644 /nfs/dbraw/zinc/70/66/44/371706644.db2.gz XTUSKXVFFWDWIP-GHMZBOCLSA-N 1 0 211.305 1.500 10 0 BDAERO Cc1ccc(C(=O)[C@H]2CC[C@H](C[NH3+])O2)s1 ZINC000226644827 371715115 /nfs/dbraw/zinc/71/51/15/371715115.db2.gz JOFUVGUNFSHYGC-RKDXNWHRSA-N 1 0 225.313 1.746 10 0 BDAERO [NH3+][C@H]1C=C[C@@H](C(=O)Cc2ccccn2)C1 ZINC000226566705 371698325 /nfs/dbraw/zinc/69/83/25/371698325.db2.gz BUCAYYPKTAWQTO-ZJUUUORDSA-N 1 0 202.257 1.097 10 0 BDAERO Cn1nnc(Br)c1[C@@H]1CCC[NH2+]1 ZINC000216725029 371795959 /nfs/dbraw/zinc/79/59/59/371795959.db2.gz WMPHIJKFDAAHTD-YFKPBYRVSA-N 1 0 231.097 1.002 10 0 BDAERO C[C@@H]1SCCN(C[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000132418816 371817534 /nfs/dbraw/zinc/81/75/34/371817534.db2.gz VKYNELDQTNXFGW-DCAQKATOSA-N 1 0 214.378 1.564 10 0 BDAERO CC(C)NC(=[NH2+])N1CCS[C@@H](C)[C@H]1C ZINC000132445355 371824002 /nfs/dbraw/zinc/82/40/02/371824002.db2.gz BRGDRWFMMGBESF-BDAKNGLRSA-N 1 0 215.366 1.745 10 0 BDAERO CCOC[C@](C)(CO)[NH2+]Cc1ccccc1 ZINC000230078423 371824354 /nfs/dbraw/zinc/82/43/54/371824354.db2.gz ARLQWPBXZOXVOW-ZDUSSCGKSA-N 1 0 223.316 1.564 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000227370081 371846300 /nfs/dbraw/zinc/84/63/00/371846300.db2.gz JEHFKSIGPIWILB-MGPQQGTHSA-N 1 0 240.391 1.875 10 0 BDAERO [NH3+]Cc1ccc(Nc2ncns2)cc1 ZINC000132617205 371875218 /nfs/dbraw/zinc/87/52/18/371875218.db2.gz NEHRZBVWMUHMME-UHFFFAOYSA-N 1 0 206.274 1.740 10 0 BDAERO C[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])C2)CS1 ZINC000227511526 371878784 /nfs/dbraw/zinc/87/87/84/371878784.db2.gz BFMCSXHBTZBRTH-BBBLOLIVSA-N 1 0 200.351 1.304 10 0 BDAERO CO[C@H]1CCC[N@@H+]([C@@H]2CCCC(=O)C2)C1 ZINC000230278479 371882476 /nfs/dbraw/zinc/88/24/76/371882476.db2.gz HKFSLPILNFBIGZ-PWSUYJOCSA-N 1 0 211.305 1.609 10 0 BDAERO CN1CCc2c(C[NH3+])c(Cl)sc2C1 ZINC000132792635 371923690 /nfs/dbraw/zinc/92/36/90/371923690.db2.gz UBFXQMNZDJUECP-UHFFFAOYSA-N 1 0 216.737 1.848 10 0 BDAERO C[C@@H]1CCS[C@]2(CC[N@@H+]3CCC[C@H]32)N1 ZINC000228032421 371978800 /nfs/dbraw/zinc/97/88/00/371978800.db2.gz OLJLTEKYPDIBRQ-VWYCJHECSA-N 1 0 212.362 1.666 10 0 BDAERO CCC[C@H]([NH2+]Cc1ccccc1)C(N)=O ZINC000058018635 371949176 /nfs/dbraw/zinc/94/91/76/371949176.db2.gz LLFVLTDSGHWCDG-NSHDSACASA-N 1 0 206.289 1.430 10 0 BDAERO CC[C@H]([NH3+])[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000227861762 371949790 /nfs/dbraw/zinc/94/97/90/371949790.db2.gz IRPDZUOGULNEEK-AEJSXWLSSA-N 1 0 219.350 1.327 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2O)C1 ZINC000627763833 371952743 /nfs/dbraw/zinc/95/27/43/371952743.db2.gz FHZDHGUQBHRPPQ-NSHDSACASA-N 1 0 248.326 1.525 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1cccc(Br)c1F ZINC000217906414 372026450 /nfs/dbraw/zinc/02/64/50/372026450.db2.gz ZWWFTQCXAJHRGA-CDUCUWFYSA-N 1 0 248.095 1.969 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1c(F)cccc1Br ZINC000217904481 372026630 /nfs/dbraw/zinc/02/66/30/372026630.db2.gz FXHPJPBUJSKJHH-MLUIRONXSA-N 1 0 248.095 1.969 10 0 BDAERO C[NH2+]Cc1cn([C@@H]2CS[C@H](C)C2)cn1 ZINC000306581299 372040692 /nfs/dbraw/zinc/04/06/92/372040692.db2.gz OOABXZNTDXHEJE-SCZZXKLOSA-N 1 0 211.334 1.669 10 0 BDAERO C[C@H](NC(=O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000306594011 372041900 /nfs/dbraw/zinc/04/19/00/372041900.db2.gz XGBMHLADCTWATP-ZETCQYMHSA-N 1 0 238.253 1.395 10 0 BDAERO CC[C@@]1(C)CCSC(NN(C)C)=[NH+]1 ZINC000228523795 372041941 /nfs/dbraw/zinc/04/19/41/372041941.db2.gz MPYHUAYIRWRDBX-VIFPVBQESA-N 1 0 201.339 1.714 10 0 BDAERO C[C@H]1CSC[C@@H]1Nc1cc[nH+]c(N)c1 ZINC000306596125 372043695 /nfs/dbraw/zinc/04/36/95/372043695.db2.gz YLZIUJLNZFBZSF-CBAPKCEASA-N 1 0 209.318 1.827 10 0 BDAERO C[C@@H]1CC[NH2+][C@]2(COC(C)(C)C2)S1 ZINC000306660029 372052186 /nfs/dbraw/zinc/05/21/86/372052186.db2.gz PTQSECRTJXMASS-SCZZXKLOSA-N 1 0 201.335 1.997 10 0 BDAERO [NH3+][C@@H](c1ccsn1)[C@@H]1CSCCS1 ZINC000307282575 372107448 /nfs/dbraw/zinc/10/74/48/372107448.db2.gz LEUMVAUYEJCAMJ-YUMQZZPRSA-N 1 0 232.399 1.992 10 0 BDAERO CSC(C)(C)C[N@@H+]1C[C@H](C)NC[C@@H]1C ZINC000229142680 372122004 /nfs/dbraw/zinc/12/20/04/372122004.db2.gz YKFFVBQNWCWABW-UWVGGRQHSA-N 1 0 216.394 1.810 10 0 BDAERO C[C@H]1Cc2nc(CC[NH3+])sc2[C@H](C)O1 ZINC000133501495 372064894 /nfs/dbraw/zinc/06/48/94/372064894.db2.gz OBOKMDZYPGXHCN-BQBZGAKWSA-N 1 0 212.318 1.667 10 0 BDAERO C[C@@H]1CCSC(N[C@H]2CCN(C)C2)=[NH+]1 ZINC000133524323 372069042 /nfs/dbraw/zinc/06/90/42/372069042.db2.gz FTJQSJPZZGCTDX-BDAKNGLRSA-N 1 0 213.350 1.162 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCCN1C(=O)NCc1ccccc1 ZINC000306800109 372069268 /nfs/dbraw/zinc/06/92/68/372069268.db2.gz NWZLYUKETASOEF-WCQYABFASA-N 1 0 247.342 1.708 10 0 BDAERO C[C@@H]1CC([NH3+])(c2nccs2)C[C@@H](C)O1 ZINC000133548642 372072311 /nfs/dbraw/zinc/07/23/11/372072311.db2.gz UWCUKXNBRFVNQZ-HTQZYQBOSA-N 1 0 212.318 1.885 10 0 BDAERO CC[N@@H+]1CC[C@@H](n2c(C)c[nH]c2=S)C1 ZINC000306885720 372074726 /nfs/dbraw/zinc/07/47/26/372074726.db2.gz RPLOSWDPHRPDCY-SECBINFHSA-N 1 0 211.334 1.747 10 0 BDAERO C[C@@H]1CC[S@@](=O)[C@@H](C)[C@@H](C2CC2)[NH2+]1 ZINC000228765534 372079356 /nfs/dbraw/zinc/07/93/56/372079356.db2.gz HNXFTXDEYMUDFW-XIJZCFGVSA-N 1 0 201.335 1.284 10 0 BDAERO O=C(Nc1ncc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000306947858 372080039 /nfs/dbraw/zinc/08/00/39/372080039.db2.gz QZIVNLSKZVFTED-YFKPBYRVSA-N 1 0 231.708 1.487 10 0 BDAERO CCNC(=[NH2+])N1CCS[C@H](C)CC1 ZINC000306948749 372080802 /nfs/dbraw/zinc/08/08/02/372080802.db2.gz AARUBSPMKQZDRO-MRVPVSSYSA-N 1 0 201.339 1.358 10 0 BDAERO CC(=O)C[C@@H](C)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000228818897 372083319 /nfs/dbraw/zinc/08/33/19/372083319.db2.gz OIVFZKLOAUMGHZ-MXWKQRLJSA-N 1 0 212.337 1.378 10 0 BDAERO C[C@H]1CCSC(N[C@@H]2CCCOC2)=[NH+]1 ZINC000133648807 372085431 /nfs/dbraw/zinc/08/54/31/372085431.db2.gz LDNVAGDJDJOVQB-DTWKUNHWSA-N 1 0 214.334 1.636 10 0 BDAERO CC(C)(C)[C@H](C[NH3+])N1CCCC2(C1)OCCO2 ZINC000133695260 372088272 /nfs/dbraw/zinc/08/82/72/372088272.db2.gz GJMWXVUZRLEHKO-NSHDSACASA-N 1 0 242.363 1.199 10 0 BDAERO C[C@H]([NH2+][C@@H]1CNC(=O)C1)c1ccsc1 ZINC000228942329 372090506 /nfs/dbraw/zinc/09/05/06/372090506.db2.gz HKDNUUUCRFPDFL-CBAPKCEASA-N 1 0 210.302 1.287 10 0 BDAERO C[C@@H]1CCC[C@H]([S@@](=O)C2C[NH2+]C2)C1 ZINC000307183692 372095036 /nfs/dbraw/zinc/09/50/36/372095036.db2.gz YTDDHZJCUAIEQG-VYUIOLGVSA-N 1 0 201.335 1.286 10 0 BDAERO C(NC1=[NH+]CCS1)C1CCSCC1 ZINC000229318163 372141083 /nfs/dbraw/zinc/14/10/83/372141083.db2.gz XZLCWCYFAQFUPR-UHFFFAOYSA-N 1 0 216.375 1.822 10 0 BDAERO O=S(=O)(c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000059412183 372180569 /nfs/dbraw/zinc/18/05/69/372180569.db2.gz NDTRHJSWRILTSF-GFCCVEGCSA-N 1 0 239.340 1.602 10 0 BDAERO C1SCC1c1nc2c(s1)C[NH2+]CC2 ZINC000405148442 372145884 /nfs/dbraw/zinc/14/58/84/372145884.db2.gz BBNHJBXSJZTIGW-UHFFFAOYSA-N 1 0 212.343 1.619 10 0 BDAERO CC1(C)CN(C2(C[NH3+])CC2)CCS1 ZINC000232812991 372164312 /nfs/dbraw/zinc/16/43/12/372164312.db2.gz WVCCOCJKFHLOOV-UHFFFAOYSA-N 1 0 200.351 1.305 10 0 BDAERO C[C@@H]1CCS[C@@](C)([C@@H]2CCOC2)[NH2+]1 ZINC000229665946 372179409 /nfs/dbraw/zinc/17/94/09/372179409.db2.gz NXYDQYDSKCUPLU-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO CCN(Cc1ccccc1)C[C@](C)([NH3+])CO ZINC000307593660 372130839 /nfs/dbraw/zinc/13/08/39/372130839.db2.gz JIVQZCXCDIUDBY-ZDUSSCGKSA-N 1 0 222.332 1.218 10 0 BDAERO O=C(CC1CC[NH2+]CC1)Nc1cccc(CO)c1 ZINC000038075398 181895493 /nfs/dbraw/zinc/89/54/93/181895493.db2.gz WJBXFCRHXQFLMT-UHFFFAOYSA-N 1 0 248.326 1.507 10 0 BDAERO O=C(CCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000036274999 181917411 /nfs/dbraw/zinc/91/74/11/181917411.db2.gz VPYJNOQGKMMKEK-UHFFFAOYSA-N 1 0 236.290 1.304 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1O)[C@H]1CC1(C)C ZINC000631751092 372552678 /nfs/dbraw/zinc/55/26/78/372552678.db2.gz TWEKYFOMPZMQFZ-DDHJBXDOSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H]1CN(Cc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000631837525 372627034 /nfs/dbraw/zinc/62/70/34/372627034.db2.gz CLFWAVYALUKCOT-UWVGGRQHSA-N 1 0 240.297 1.991 10 0 BDAERO Cc1nc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631838472 372631097 /nfs/dbraw/zinc/63/10/97/372631097.db2.gz OZRXUPDUZNNGFT-WPRPVWTQSA-N 1 0 225.361 1.478 10 0 BDAERO C[C@@H]1CN(CCOCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631842284 372640513 /nfs/dbraw/zinc/64/05/13/372640513.db2.gz YAFHNXXDHQJALK-BDAKNGLRSA-N 1 0 240.269 1.092 10 0 BDAERO O=C(COC[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000095072885 181998316 /nfs/dbraw/zinc/99/83/16/181998316.db2.gz FYSSTYMPTYYXCV-SNVBAGLBSA-N 1 0 239.340 1.947 10 0 BDAERO O=C(CO[C@@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000051782445 182000167 /nfs/dbraw/zinc/00/01/67/182000167.db2.gz YCFWYQRGVIZJFF-LLVKDONJSA-N 1 0 238.262 1.143 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1ccccn1 ZINC000054305712 182028761 /nfs/dbraw/zinc/02/87/61/182028761.db2.gz FGEJPNSBCMKWCG-GFCCVEGCSA-N 1 0 247.342 1.130 10 0 BDAERO O=C(Cc1ccccc1)C[N@H+]1CCC[C@H]1CO ZINC000050150162 182043039 /nfs/dbraw/zinc/04/30/39/182043039.db2.gz FSIDWHSKSKDBRN-ZDUSSCGKSA-N 1 0 233.311 1.255 10 0 BDAERO O=C(Cc1ccccc1)NCC[C@H]1CCCC[NH2+]1 ZINC000019503962 182044090 /nfs/dbraw/zinc/04/40/90/182044090.db2.gz RDSMXYRNQJKLNH-CQSZACIVSA-N 1 0 246.354 1.878 10 0 BDAERO O=C(Cc1ccoc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000122056855 182054908 /nfs/dbraw/zinc/05/49/08/182054908.db2.gz YJYDPBJPMCTQKK-ZDUSSCGKSA-N 1 0 248.326 1.519 10 0 BDAERO O=C(NCC1CC[NH2+]CC1)c1cccc(O)c1 ZINC000019392538 182148258 /nfs/dbraw/zinc/14/82/58/182148258.db2.gz NGTWSZWBPRRDDK-UHFFFAOYSA-N 1 0 234.299 1.122 10 0 BDAERO C[C@H]1CCN(Cc2cccs2)C[C@@H]1[NH3+] ZINC000069718227 373641472 /nfs/dbraw/zinc/64/14/72/373641472.db2.gz LZZFYDANFIDSRD-ONGXEEELSA-N 1 0 210.346 1.917 10 0 BDAERO O=C(NCCC1=CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000020269732 182153429 /nfs/dbraw/zinc/15/34/29/182153429.db2.gz UKOCUDKWYZXPSH-ZDUSSCGKSA-N 1 0 236.359 1.993 10 0 BDAERO [NH3+]CCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000069729810 373660325 /nfs/dbraw/zinc/66/03/25/373660325.db2.gz VZLKMGULHNYODV-UHFFFAOYSA-N 1 0 224.226 1.136 10 0 BDAERO O=C(NCC[C@@H]1CCCC[NH2+]1)c1ccc(O)cc1 ZINC000019428011 182199621 /nfs/dbraw/zinc/19/96/21/182199621.db2.gz XTNOKBMWQRSOBG-LBPRGKRZSA-N 1 0 248.326 1.654 10 0 BDAERO O=C(NC[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]C1 ZINC000045631001 182224008 /nfs/dbraw/zinc/22/40/08/182224008.db2.gz YDAITAZCMPDPTR-VXGBXAGGSA-N 1 0 222.332 1.459 10 0 BDAERO O=C(NC[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000045630980 182223371 /nfs/dbraw/zinc/22/33/71/182223371.db2.gz IFLGLDHNTQBKOW-MNOVXSKESA-N 1 0 208.305 1.211 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@H]2CCCS2)n1 ZINC000070005021 374110079 /nfs/dbraw/zinc/11/00/79/374110079.db2.gz HSGVFEZHCUTYGN-NKWVEPMBSA-N 1 0 213.306 1.700 10 0 BDAERO C[C@@H]([NH3+])Cc1noc([C@@H]2CCCS2)n1 ZINC000070005049 374110625 /nfs/dbraw/zinc/11/06/25/374110625.db2.gz KQPHNBPMGKYDPF-RQJHMYQMSA-N 1 0 213.306 1.527 10 0 BDAERO NC(=O)c1ccccc1[C@H]1CCC[NH2+]C1 ZINC000143052331 374131528 /nfs/dbraw/zinc/13/15/28/374131528.db2.gz HUHDIXQQKGYBMP-VIFPVBQESA-N 1 0 204.273 1.253 10 0 BDAERO [NH3+]Cc1ccccc1Oc1nncs1 ZINC000069967989 374104311 /nfs/dbraw/zinc/10/43/11/374104311.db2.gz WHTLCCNWXSTVHA-UHFFFAOYSA-N 1 0 207.258 1.789 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1C[C@H]1C ZINC000246146577 374176790 /nfs/dbraw/zinc/17/67/90/374176790.db2.gz SFTNECXDMZJDPB-UTUOFQBUSA-N 1 0 241.379 1.670 10 0 BDAERO CC(C)C(=O)Nc1nc([C@@H](C)[NH3+])cs1 ZINC000070884801 374224682 /nfs/dbraw/zinc/22/46/82/374224682.db2.gz ZLIFLZBJYGBPHQ-ZCFIWIBFSA-N 1 0 213.306 1.757 10 0 BDAERO O=C1CCCCC[C@@H]1[N@H+]1CCC[C@@H]1CO ZINC000042432789 374270368 /nfs/dbraw/zinc/27/03/68/374270368.db2.gz IXKBCTIYSWMXPQ-MNOVXSKESA-N 1 0 211.305 1.345 10 0 BDAERO CC(C)C[C@H](N)c1nn2cnnc2s1 ZINC000071477772 374272376 /nfs/dbraw/zinc/27/23/76/374272376.db2.gz ICDVLLBVUDAEQM-LURJTMIESA-N 1 0 211.294 1.232 10 0 BDAERO CC[C@H]([NH2+][C@@H](C)CC(=O)NC)C(C)(C)C ZINC000167377004 206143994 /nfs/dbraw/zinc/14/39/94/206143994.db2.gz SJUFZDJCFDHKSG-UWVGGRQHSA-N 1 0 214.353 1.925 10 0 BDAERO O=C(Nc1c(F)cccc1F)[C@H]1CC[NH2+]C1 ZINC000062112628 182346337 /nfs/dbraw/zinc/34/63/37/182346337.db2.gz NDPWEUYEFYEXAG-ZETCQYMHSA-N 1 0 226.226 1.513 10 0 BDAERO O=C(Nc1cccnc1Cl)[C@H]1CCC[NH2+]1 ZINC000035055467 182385461 /nfs/dbraw/zinc/38/54/61/182385461.db2.gz NDTHYHZPRHFHCP-MRVPVSSYSA-N 1 0 225.679 1.426 10 0 BDAERO O=C([C@@H]1CCCC[NH2+]1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000237938191 182616099 /nfs/dbraw/zinc/61/60/99/182616099.db2.gz OXRHSQPFZQTCFH-UPJWGTAASA-N 1 0 236.359 1.777 10 0 BDAERO O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC[NH2+]CC1 ZINC000020248687 182629078 /nfs/dbraw/zinc/62/90/78/182629078.db2.gz MIZJTMTVKZKLGJ-QJPTWQEYSA-N 1 0 222.332 1.245 10 0 BDAERO O=S(=O)(c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000034103781 182905271 /nfs/dbraw/zinc/90/52/71/182905271.db2.gz RRRYQNOUKRYWFA-NSHDSACASA-N 1 0 225.313 1.212 10 0 BDAERO CCCCS(=O)(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000019474279 168925355 /nfs/dbraw/zinc/92/53/55/168925355.db2.gz OJPHPCRAQRXXLH-NSHDSACASA-N 1 0 248.392 1.238 10 0 BDAERO O=[S@@](Cc1cncs1)C[C@H]1CCC[NH2+]C1 ZINC000095073643 182963218 /nfs/dbraw/zinc/96/32/18/182963218.db2.gz RTBHKRMSHBDZGZ-VFZGTOFNSA-N 1 0 244.385 1.391 10 0 BDAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1nc2ccccc2[nH]1 ZINC000095073557 182966022 /nfs/dbraw/zinc/96/60/22/182966022.db2.gz KRFCPNBDRZEBFB-XYZCENFISA-N 1 0 249.339 1.423 10 0 BDAERO OC1(CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000333145394 183016090 /nfs/dbraw/zinc/01/60/90/183016090.db2.gz ZPNJPHPHQOKSIV-GFCCVEGCSA-N 1 0 235.331 1.852 10 0 BDAERO CCCC[C@@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000019842535 168970163 /nfs/dbraw/zinc/97/01/63/168970163.db2.gz GIRARAIHHRCULO-SECBINFHSA-N 1 0 247.298 1.406 10 0 BDAERO OCC1([NH2+][C@H]2CCCC[C@@H]2O)CCCCC1 ZINC000053096889 183037778 /nfs/dbraw/zinc/03/77/78/183037778.db2.gz JWVVKGPXJHHOGU-RYUDHWBXSA-N 1 0 227.348 1.575 10 0 BDAERO OCC1([NH2+][C@H]2CCC[C@@H]2O)CCCCC1 ZINC000053097185 183039161 /nfs/dbraw/zinc/03/91/61/183039161.db2.gz XAHPEDPAGVCFHM-QWRGUYRKSA-N 1 0 213.321 1.185 10 0 BDAERO OCCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336649057 183053242 /nfs/dbraw/zinc/05/32/42/183053242.db2.gz HINGOTSQAAOZAL-WDEREUQCSA-N 1 0 203.301 1.877 10 0 BDAERO OCCC[NH2+]C[C@@H]1CCc2ccc(O)cc2O1 ZINC000003959257 183059205 /nfs/dbraw/zinc/05/92/05/183059205.db2.gz YEENTVNLGWCDRF-LBPRGKRZSA-N 1 0 237.299 1.058 10 0 BDAERO OCCC[NH2+][C@H]1CSCc2ccccc21 ZINC000037236637 183060470 /nfs/dbraw/zinc/06/04/70/183060470.db2.gz ZHZFERMIGKFPKF-LBPRGKRZSA-N 1 0 223.341 1.947 10 0 BDAERO OCCn1c2ccccc2nc1[C@@H]1CCCC[NH2+]1 ZINC000037900712 183103195 /nfs/dbraw/zinc/10/31/95/183103195.db2.gz PWKKKLHPZUPXNY-LBPRGKRZSA-N 1 0 245.326 1.843 10 0 BDAERO OCCn1c2ccccc2nc1[C@H]1CCC[NH2+]C1 ZINC000037900711 183103413 /nfs/dbraw/zinc/10/34/13/183103413.db2.gz ZUGXKGCPNOPAIP-NSHDSACASA-N 1 0 245.326 1.496 10 0 BDAERO CCCC[C@H](CCC)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000300689841 169001171 /nfs/dbraw/zinc/00/11/71/169001171.db2.gz JITYTQCNLDMUDV-SRVKXCTJSA-N 1 0 242.363 1.184 10 0 BDAERO OC[C@@]1([NH2+]C[C@H]2CCCO2)CCCSC1 ZINC000061590859 183133754 /nfs/dbraw/zinc/13/37/54/183133754.db2.gz HUSCCDFWFYNENA-MNOVXSKESA-N 1 0 231.361 1.013 10 0 BDAERO OC[C@@H]1CCNCC[N@@H+]1CC1CCCCC1 ZINC000067172121 183125183 /nfs/dbraw/zinc/12/51/83/183125183.db2.gz PDJVYAUURLPKAT-ZDUSSCGKSA-N 1 0 226.364 1.223 10 0 BDAERO OC[C@@H]1C[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000335078395 183130988 /nfs/dbraw/zinc/13/09/88/183130988.db2.gz BKXUQSPSYLPGTD-TVQRCGJNSA-N 1 0 214.268 1.449 10 0 BDAERO OC[C@H]1[NH2+]CCc2c(F)c(Cl)ccc21 ZINC000075708322 183156207 /nfs/dbraw/zinc/15/62/07/183156207.db2.gz RRIJTKUIOCCQQF-SECBINFHSA-N 1 0 215.655 1.658 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)COc1ccc2c(c1)CCC2 ZINC000032102952 183177417 /nfs/dbraw/zinc/17/74/17/183177417.db2.gz QWQLWLQCCLZNPL-AWEZNQCLSA-N 1 0 247.338 1.667 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)Cc1ccc(F)c(F)c1 ZINC000071533058 183177707 /nfs/dbraw/zinc/17/77/07/183177707.db2.gz WOYJTYRDKCGPNC-SNVBAGLBSA-N 1 0 227.254 1.620 10 0 BDAERO O[C@@H](C[NH2+]C[C@@H]1CCOC1)c1ccccc1F ZINC000038094546 183179083 /nfs/dbraw/zinc/17/90/83/183179083.db2.gz LAGOGTRNYKMPPK-GWCFXTLKSA-N 1 0 239.290 1.485 10 0 BDAERO O[C@@H](C[NH2+]Cc1ccco1)c1ccncc1 ZINC000032013256 183180435 /nfs/dbraw/zinc/18/04/35/183180435.db2.gz PUOFFRWIOJEMNR-LBPRGKRZSA-N 1 0 218.256 1.498 10 0 BDAERO O[C@@H](c1c[nH]c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000041229085 183184372 /nfs/dbraw/zinc/18/43/72/183184372.db2.gz CJSJWPZJKSOIBF-OLZOCXBDSA-N 1 0 216.284 1.953 10 0 BDAERO O[C@@H](c1c[nH]c2ncccc12)[C@H]1CCC[NH2+]C1 ZINC000036906395 183184602 /nfs/dbraw/zinc/18/46/02/183184602.db2.gz GPJYRKSCCQCENO-JOYOIKCWSA-N 1 0 231.299 1.596 10 0 BDAERO O[C@@H]1CCOC[C@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062955763 183202487 /nfs/dbraw/zinc/20/24/87/183202487.db2.gz PTDFSKKPGHYENE-CHWSQXEVSA-N 1 0 239.359 1.792 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000041303087 183185402 /nfs/dbraw/zinc/18/54/02/183185402.db2.gz IIWLEJZOOPNOAZ-RISCZKNCSA-N 1 0 249.310 1.633 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000032104415 183185637 /nfs/dbraw/zinc/18/56/37/183185637.db2.gz UVBJEHDVTOBHLF-FZMZJTMJSA-N 1 0 249.310 1.491 10 0 BDAERO O[C@@H]1CCCCC[C@H]1[NH2+]CCN1CCCC1 ZINC000054126917 183187730 /nfs/dbraw/zinc/18/77/30/183187730.db2.gz OWQXDIMTOXFOCO-CHWSQXEVSA-N 1 0 226.364 1.365 10 0 BDAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000042541196 183188389 /nfs/dbraw/zinc/18/83/89/183188389.db2.gz JKIYNILVZABBPJ-NWDGAFQWSA-N 1 0 223.320 1.166 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCN(CC2CC2)CC1 ZINC000042490929 183189265 /nfs/dbraw/zinc/18/92/65/183189265.db2.gz FFFBRKAGVZNTDP-UONOGXRCSA-N 1 0 238.375 1.318 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000089162975 183195914 /nfs/dbraw/zinc/19/59/14/183195914.db2.gz ZOPZIHAAHOJYPR-BXUZGUMPSA-N 1 0 245.326 1.585 10 0 BDAERO O[C@@]1(c2cccs2)C[NH+]2CCC1CC2 ZINC000013740295 183218021 /nfs/dbraw/zinc/21/80/21/183218021.db2.gz ZKPUVCWMJJDKRD-NSHDSACASA-N 1 0 209.314 1.661 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000038045255 183231996 /nfs/dbraw/zinc/23/19/96/183231996.db2.gz QSWGKWUZRREYGJ-XQQFMLRXSA-N 1 0 227.348 1.696 10 0 BDAERO O[C@H](COc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000026267148 183226414 /nfs/dbraw/zinc/22/64/14/183226414.db2.gz XYXMJNFELPKDTE-QWHCGFSZSA-N 1 0 221.300 1.568 10 0 BDAERO O[C@H](c1cc(F)ccc1F)C1CC[NH2+]CC1 ZINC000036161936 183228878 /nfs/dbraw/zinc/22/88/78/183228878.db2.gz GVXVUILANINSPW-LBPRGKRZSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@H](c1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]1 ZINC000033465358 183229766 /nfs/dbraw/zinc/22/97/66/183229766.db2.gz XBMLDFPPZMYVLY-ZWNOBZJWSA-N 1 0 235.283 1.243 10 0 BDAERO CCS(=O)(=O)C[C@H]([NH3+])c1cccc(OC)c1 ZINC000075417337 170611794 /nfs/dbraw/zinc/61/17/94/170611794.db2.gz KWUKKHXBVJKHMF-NSHDSACASA-N 1 0 243.328 1.130 10 0 BDAERO CCCN(C)c1nc2sccn2c1C[NH3+] ZINC000035430175 169090340 /nfs/dbraw/zinc/09/03/40/169090340.db2.gz PRXIMMRQRCVTFT-UHFFFAOYSA-N 1 0 224.333 1.701 10 0 BDAERO CCCN(CC(=O)N(C)C)c1ccccc1C[NH3+] ZINC000044412647 169093572 /nfs/dbraw/zinc/09/35/72/169093572.db2.gz AVGFRRYAJUJJHY-UHFFFAOYSA-N 1 0 249.358 1.450 10 0 BDAERO CCCN(CC(=O)NC)[C@H](C[NH3+])c1ccccc1 ZINC000042899371 169096441 /nfs/dbraw/zinc/09/64/41/169096441.db2.gz CQIICNGWJMKSEL-CYBMUJFWSA-N 1 0 249.358 1.144 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000037690029 183238399 /nfs/dbraw/zinc/23/83/99/183238399.db2.gz YGYYVXLQBQJGNL-NEPJUHHUSA-N 1 0 209.264 1.829 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cscn1 ZINC000084223868 183238708 /nfs/dbraw/zinc/23/87/08/183238708.db2.gz ZYRKLMPVOCSZQN-WPRPVWTQSA-N 1 0 212.318 1.394 10 0 BDAERO CCCN(CC)C(=O)C1CCC([NH3+])CC1 ZINC000037481956 169110130 /nfs/dbraw/zinc/11/01/30/169110130.db2.gz IGBAJMOBSZYZRH-UHFFFAOYSA-N 1 0 212.337 1.762 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1Cc1ccccc1F ZINC000071511532 183240793 /nfs/dbraw/zinc/24/07/93/183240793.db2.gz LANPFCNCHPJVHI-PWSUYJOCSA-N 1 0 209.264 1.339 10 0 BDAERO O[C@H]1COC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053157261 183246858 /nfs/dbraw/zinc/24/68/58/183246858.db2.gz YALATJBEBSHUNA-QWRGUYRKSA-N 1 0 245.681 1.328 10 0 BDAERO CCC[N@H+](CC)CC[C@@H](NC(C)C)C(=O)OC ZINC000062447218 169122624 /nfs/dbraw/zinc/12/26/24/169122624.db2.gz LAQFDRQBHRFKSJ-GFCCVEGCSA-N 1 0 244.379 1.648 10 0 BDAERO O[C@]1(C[NH2+][C@@H]2CCC[C@H]2CCF)CCSC1 ZINC000336685887 183251281 /nfs/dbraw/zinc/25/12/81/183251281.db2.gz SPLAUIFCEYQTJM-TUAOUCFPSA-N 1 0 247.379 1.972 10 0 BDAERO O[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000071790441 183253527 /nfs/dbraw/zinc/25/35/27/183253527.db2.gz YGOKBUFLKQDCDE-OLZOCXBDSA-N 1 0 203.285 1.643 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000051769857 183232423 /nfs/dbraw/zinc/23/24/23/183232423.db2.gz ROAMHHYVBVCDLY-KGLIPLIRSA-N 1 0 235.327 1.959 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000052178408 183235425 /nfs/dbraw/zinc/23/54/25/183235425.db2.gz BITUDCDBVYBEAZ-NEPJUHHUSA-N 1 0 213.321 1.306 10 0 BDAERO CCCN(CC(F)(F)F)c1nccnc1C[NH3+] ZINC000054378017 169107215 /nfs/dbraw/zinc/10/72/15/169107215.db2.gz KZUMKRZYDRKCPU-UHFFFAOYSA-N 1 0 248.252 1.714 10 0 BDAERO O[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000037489892 183236973 /nfs/dbraw/zinc/23/69/73/183236973.db2.gz RIPLXGJXQLQXAC-STQMWFEESA-N 1 0 205.301 1.732 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000052178406 183237037 /nfs/dbraw/zinc/23/70/37/183237037.db2.gz BITUDCDBVYBEAZ-RYUDHWBXSA-N 1 0 213.321 1.306 10 0 BDAERO Oc1ccc2c(c1)[C@@H]1OCC[NH2+][C@@H]1CC2 ZINC000029389040 183281770 /nfs/dbraw/zinc/28/17/70/183281770.db2.gz RCTXZLWJOZFFFZ-NEPJUHHUSA-N 1 0 205.257 1.368 10 0 BDAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C[C@H]1CCCCO1 ZINC000042813075 183281961 /nfs/dbraw/zinc/28/19/61/183281961.db2.gz RGEPIXSMSNNMMU-DGCLKSJQSA-N 1 0 249.310 1.984 10 0 BDAERO CCCN(CC[NH3+])c1nncc2ccccc21 ZINC000104309941 169157356 /nfs/dbraw/zinc/15/73/56/169157356.db2.gz KVUYGBXGRIEVAW-UHFFFAOYSA-N 1 0 230.315 1.805 10 0 BDAERO Oc1cccc2c1C[C@@]1(C[NH+]=CN1)CC2 ZINC000013743729 183296512 /nfs/dbraw/zinc/29/65/12/183296512.db2.gz ZQSVWALFZOAAON-GFCCVEGCSA-N 1 0 202.257 1.251 10 0 BDAERO CCC[N@H+](CCc1ccccc1N)CC(=O)NC ZINC000052918553 169170053 /nfs/dbraw/zinc/17/00/53/169170053.db2.gz HQTLQAMMTOLNIT-UHFFFAOYSA-N 1 0 249.358 1.269 10 0 BDAERO c1c(N2CC[NH2+]CC2)n[nH]c1C1CCCCC1 ZINC000062669986 183321151 /nfs/dbraw/zinc/32/11/51/183321151.db2.gz GAMCWLFZPFQBSV-UHFFFAOYSA-N 1 0 234.347 1.867 10 0 BDAERO c1cc(-c2ccc(C[NH2+][C@H]3CCOC3)cc2)n[nH]1 ZINC000109431328 183329467 /nfs/dbraw/zinc/32/94/67/183329467.db2.gz BXSUJPUKWLCNBI-ZDUSSCGKSA-N 1 0 243.310 1.955 10 0 BDAERO CCCN(Cc1ccncc1)C(=O)CC[NH3+] ZINC000032013992 169178846 /nfs/dbraw/zinc/17/88/46/169178846.db2.gz ZGJXEKXYCCELIN-UHFFFAOYSA-N 1 0 221.304 1.169 10 0 BDAERO c1cc(CC[NH2+]CC2CCOCC2)ccn1 ZINC000052172177 183338799 /nfs/dbraw/zinc/33/87/99/183338799.db2.gz UZOHGMKSRWEHII-UHFFFAOYSA-N 1 0 220.316 1.640 10 0 BDAERO c1cc(CN2CCOCC2)oc1C[NH2+]C1CC1 ZINC000045205598 183345081 /nfs/dbraw/zinc/34/50/81/183345081.db2.gz AFZOWWIANCZJKA-UHFFFAOYSA-N 1 0 236.315 1.364 10 0 BDAERO c1cc(C[NH2+]C[C@H]2CC23CCOCC3)c[nH]1 ZINC000309665239 183350423 /nfs/dbraw/zinc/35/04/23/183350423.db2.gz HLKPBMOTLDQOEK-GFCCVEGCSA-N 1 0 220.316 1.921 10 0 BDAERO c1cc(Cc2noc(C[C@@H]3CCC[NH2+]3)n2)ccn1 ZINC000053129700 183355919 /nfs/dbraw/zinc/35/59/19/183355919.db2.gz LFBWBJKZLUTSLZ-NSHDSACASA-N 1 0 244.298 1.350 10 0 BDAERO CCC[NH2+]C1CCN(CCn2cccn2)CC1 ZINC000049313412 169255432 /nfs/dbraw/zinc/25/54/32/169255432.db2.gz UPLMYPZOOAYHQL-UHFFFAOYSA-N 1 0 236.363 1.347 10 0 BDAERO CCC[NH2+]CC(=O)c1ccc2c(c1)CCN2 ZINC000041619331 169255863 /nfs/dbraw/zinc/25/58/63/169255863.db2.gz PYLOHTBBOPRUTM-UHFFFAOYSA-N 1 0 218.300 1.837 10 0 BDAERO c1cc2c(c([C@H]3C[NH2+]CCO3)c1)CCN2 ZINC000033886270 183366975 /nfs/dbraw/zinc/36/69/75/183366975.db2.gz VFKFKBOMPDBEAR-GFCCVEGCSA-N 1 0 204.273 1.316 10 0 BDAERO c1cc2c(cc1C[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000011630912 183368947 /nfs/dbraw/zinc/36/89/47/183368947.db2.gz RGYCRAKIMJJHLX-LBPRGKRZSA-N 1 0 233.311 2.000 10 0 BDAERO c1cc(C[C@@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000005104835 183369355 /nfs/dbraw/zinc/36/93/55/183369355.db2.gz SJLJMWBKBITYLC-JTQLQIEISA-N 1 0 205.257 1.567 10 0 BDAERO CCC[NH2+]CC[C@H](O)c1cccc(N)c1 ZINC000098123904 169261119 /nfs/dbraw/zinc/26/11/19/169261119.db2.gz NLZXVELPHGEWKI-LBPRGKRZSA-N 1 0 208.305 1.692 10 0 BDAERO CCC[NH2+]CCn1cc(C(F)(F)F)ccc1=O ZINC000071212003 169261199 /nfs/dbraw/zinc/26/11/99/169261199.db2.gz JLROKJPGKOVHAN-UHFFFAOYSA-N 1 0 248.248 1.867 10 0 BDAERO CCC[NH2+]C[C@@H](CC)N1CCn2ccnc2C1 ZINC000062325524 169262261 /nfs/dbraw/zinc/26/22/61/169262261.db2.gz HQYUJFMNMWFSIG-GFCCVEGCSA-N 1 0 236.363 1.477 10 0 BDAERO c1cc([C@]23C[C@H]2C[NH2+]C3)cc2c1OCC2 ZINC000040979566 183371809 /nfs/dbraw/zinc/37/18/09/183371809.db2.gz YFLOOUXSBOBGEV-WCQYABFASA-N 1 0 201.269 1.482 10 0 BDAERO CCC[NH2+]C[C@@H]1CC[C@H](Cn2ccnc2C)O1 ZINC000052576184 169262477 /nfs/dbraw/zinc/26/24/77/169262477.db2.gz WRQZABJJJSIMJZ-QWHCGFSZSA-N 1 0 237.347 1.739 10 0 BDAERO c1cc2c3c(n4c2c(c1)OCC4)CC[NH2+]CC3 ZINC000013535358 183373878 /nfs/dbraw/zinc/37/38/78/183373878.db2.gz KMVAXNRPZRSLSY-UHFFFAOYSA-N 1 0 228.295 1.722 10 0 BDAERO CCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106425467 169248569 /nfs/dbraw/zinc/24/85/69/169248569.db2.gz ARWCJZWXEKIBBX-ZDUSSCGKSA-N 1 0 234.343 1.686 10 0 BDAERO CCCNC(=O)[C@H](CC[NH3+])c1ccc(C)cc1 ZINC000076616362 169248806 /nfs/dbraw/zinc/24/88/06/169248806.db2.gz HLZPEMWRHJXFTJ-CYBMUJFWSA-N 1 0 234.343 1.954 10 0 BDAERO CCC[NH2+][C@H](CN)c1ccc2c(c1)OCCO2 ZINC000050270630 169289212 /nfs/dbraw/zinc/28/92/12/169289212.db2.gz YECRJZZQMLDWSK-LLVKDONJSA-N 1 0 236.315 1.457 10 0 BDAERO c1ccc(CCN2CC[N@@H+]3CCCC[C@@H]3C2)nc1 ZINC000093952547 183391579 /nfs/dbraw/zinc/39/15/79/183391579.db2.gz QFVDTLZNKALMHA-OAHLLOKOSA-N 1 0 245.370 1.794 10 0 BDAERO CCC[NH2+]Cc1ccc(-n2ccnc2C)nn1 ZINC000051491146 169266640 /nfs/dbraw/zinc/26/66/40/169266640.db2.gz YHRPHNMIMUKEKI-UHFFFAOYSA-N 1 0 231.303 1.470 10 0 BDAERO CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)nc1 ZINC000104101566 169268187 /nfs/dbraw/zinc/26/81/87/169268187.db2.gz ZSIBUCZKVMPLCR-LBPRGKRZSA-N 1 0 236.315 1.749 10 0 BDAERO CCCNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000020187739 169272296 /nfs/dbraw/zinc/27/22/96/169272296.db2.gz BDHYSXSJUJOAQD-SECBINFHSA-N 1 0 242.344 1.395 10 0 BDAERO CCC[NH2+][C@@H](C(N)=O)c1cc(F)c(F)c(F)c1 ZINC000062712582 169273398 /nfs/dbraw/zinc/27/33/98/169273398.db2.gz YGGVABDJCSZJOB-SNVBAGLBSA-N 1 0 246.232 1.630 10 0 BDAERO c1ccc(CN2CCC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000098181504 183399534 /nfs/dbraw/zinc/39/95/34/183399534.db2.gz ONQYKAILSLKZLP-KBPBESRZSA-N 1 0 216.328 1.870 10 0 BDAERO CCC[NH2+][C@H]1c2ccc(OC)cc2NC1=O ZINC000042069375 169280221 /nfs/dbraw/zinc/28/02/21/169280221.db2.gz RAWGGRAWZHXNEC-NSHDSACASA-N 1 0 220.272 1.688 10 0 BDAERO CCC[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000102667976 169280242 /nfs/dbraw/zinc/28/02/42/169280242.db2.gz RBGYKSRLGMLAHU-SNVBAGLBSA-N 1 0 224.304 1.056 10 0 BDAERO CCC[NH2+][C@@H]1CCN(Cc2cccnc2)C1=O ZINC000049648600 169282672 /nfs/dbraw/zinc/28/26/72/169282672.db2.gz LSNJPKOMKDUUTB-GFCCVEGCSA-N 1 0 233.315 1.182 10 0 BDAERO CCCOC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042533 169300283 /nfs/dbraw/zinc/30/02/83/169300283.db2.gz ICMGVXKXXXCXSJ-GFCCVEGCSA-N 1 0 240.347 1.156 10 0 BDAERO CCCOC(=O)c1sc(C[NH3+])nc1C ZINC000082486782 169301286 /nfs/dbraw/zinc/30/12/86/169301286.db2.gz PXTCQWDVBWLELP-UHFFFAOYSA-N 1 0 214.290 1.477 10 0 BDAERO CCC[NH2+][C@H]1CCN(CCc2ccccn2)C1 ZINC000037635782 169291610 /nfs/dbraw/zinc/29/16/10/169291610.db2.gz HHXKDTRVPYEUDG-AWEZNQCLSA-N 1 0 233.359 1.698 10 0 BDAERO c1ccc2c(c1)cnnc2NC1CC[NH2+]CC1 ZINC000035663601 183438724 /nfs/dbraw/zinc/43/87/24/183438724.db2.gz RIVSBJGECJRSQR-UHFFFAOYSA-N 1 0 228.299 1.794 10 0 BDAERO CCCNc1cc2c(nn1)CC[N@H+](CC)C2 ZINC000054931207 169294228 /nfs/dbraw/zinc/29/42/28/169294228.db2.gz CQVHTIUYVXRBNL-UHFFFAOYSA-N 1 0 220.320 1.677 10 0 BDAERO CCC[C@@H](C(=O)N1CCC[C@H]1C)[NH+](C)C ZINC000124308553 169343574 /nfs/dbraw/zinc/34/35/74/169343574.db2.gz WUFVDQBVYOPVHG-MNOVXSKESA-N 1 0 212.337 1.728 10 0 BDAERO CCCOc1ccc(C[NH2+]CCC(N)=O)cc1 ZINC000036746876 169318110 /nfs/dbraw/zinc/31/81/10/169318110.db2.gz QJFGYUFUEIOWPQ-UHFFFAOYSA-N 1 0 236.315 1.440 10 0 BDAERO CCCOc1ccc(C[NH2+]C2COC2)cc1 ZINC000087194537 169318250 /nfs/dbraw/zinc/31/82/50/169318250.db2.gz RDOTXWRERYXZBI-UHFFFAOYSA-N 1 0 221.300 1.964 10 0 BDAERO CCCOc1ccc([C@@H](C)[NH2+]CC(N)=O)cc1 ZINC000021954336 169320629 /nfs/dbraw/zinc/32/06/29/169320629.db2.gz NSOSQRCABPNHEL-SNVBAGLBSA-N 1 0 236.315 1.611 10 0 BDAERO CCCOc1ccc([C@H](O)[C@@H](C)[NH3+])cc1 ZINC000052919384 169322407 /nfs/dbraw/zinc/32/24/07/169322407.db2.gz LYPNBFCLXLXQAJ-BXKDBHETSA-N 1 0 209.289 1.856 10 0 BDAERO CCCOc1ccccc1CN1CC[NH2+]CC1 ZINC000033465248 169326926 /nfs/dbraw/zinc/32/69/26/169326926.db2.gz RGOUIDMMAGTBQP-UHFFFAOYSA-N 1 0 234.343 1.881 10 0 BDAERO CCCS(=O)(=O)Nc1cccc(C[NH3+])c1 ZINC000022143190 169334252 /nfs/dbraw/zinc/33/42/52/169334252.db2.gz PZIHMGKQQSZRSZ-UHFFFAOYSA-N 1 0 228.317 1.297 10 0 BDAERO c1cnc2[nH]c(OC[C@H]3CCC[NH2+]3)nc2c1 ZINC000095092677 183488714 /nfs/dbraw/zinc/48/87/14/183488714.db2.gz ZMNAXWZUCGDJQY-MRVPVSSYSA-N 1 0 218.260 1.089 10 0 BDAERO CCC[C@@H](CCCCS(C)(=O)=O)[NH2+]C ZINC000063015727 169382082 /nfs/dbraw/zinc/38/20/82/169382082.db2.gz TVTKAIBGPAUJKM-JTQLQIEISA-N 1 0 221.366 1.589 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(O)cc1 ZINC000083351977 169390673 /nfs/dbraw/zinc/39/06/73/169390673.db2.gz HEIAHQWKLDXITD-LLVKDONJSA-N 1 0 222.288 1.136 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000037017829 169391173 /nfs/dbraw/zinc/39/11/73/169391173.db2.gz IUDWMOAYWNOXFA-VHSXEESVSA-N 1 0 224.304 1.893 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000222739929 134334220 /nfs/dbraw/zinc/33/42/20/134334220.db2.gz XQQDUAXWSZYASX-UPJWGTAASA-N 1 0 228.380 1.730 10 0 BDAERO CCC[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000019969680 169504945 /nfs/dbraw/zinc/50/49/45/169504945.db2.gz YHANMHUEOFJIQZ-JTQLQIEISA-N 1 0 204.273 1.981 10 0 BDAERO CC1(C)[C@@H]([NH2+]C[C@H]2CCCO2)[C@@H]2CCO[C@@H]21 ZINC000224419727 134347220 /nfs/dbraw/zinc/34/72/20/134347220.db2.gz YNQBJWIDBLDZGN-RHYQMDGZSA-N 1 0 225.332 1.569 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCOCCO ZINC000336732450 169526394 /nfs/dbraw/zinc/52/63/94/169526394.db2.gz JNXLUEDNEWQCDI-QWHCGFSZSA-N 1 0 229.364 1.944 10 0 BDAERO CC[C@@H]1CN(C2Cc3ccccc3C2)CC[NH2+]1 ZINC000083357668 171076520 /nfs/dbraw/zinc/07/65/20/171076520.db2.gz DUOOFOYZZHKWDT-CQSZACIVSA-N 1 0 230.355 1.838 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H](O)C(C)(C)C)C[C@@H]1N(C)C ZINC000226094700 134358571 /nfs/dbraw/zinc/35/85/71/134358571.db2.gz XGNBAEZNTRGZFM-GRYCIOLGSA-N 1 0 228.380 1.275 10 0 BDAERO Cc1c(C[NH2+]C[C@H]2CC[C@H](C)O2)cnn1C ZINC000226306319 134360137 /nfs/dbraw/zinc/36/01/37/134360137.db2.gz DUDGUYGGPFWVHC-JOYOIKCWSA-N 1 0 223.320 1.386 10 0 BDAERO CCN(C(=O)[C@@H]1CC[C@H](C)[NH2+]C1)[C@@H](C)COC ZINC000042781199 169649872 /nfs/dbraw/zinc/64/98/72/169649872.db2.gz SGCMRYNHXGHWAS-SDDRHHMPSA-N 1 0 242.363 1.258 10 0 BDAERO COC(C)(C)CC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401897923 532950783 /nfs/dbraw/zinc/95/07/83/532950783.db2.gz LNCBKZBXWBKLHB-MNOVXSKESA-N 1 0 215.337 1.504 10 0 BDAERO CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C12CCC2 ZINC000308356898 532964840 /nfs/dbraw/zinc/96/48/40/532964840.db2.gz ZWGSTCWVRMYBFU-QJPTWQEYSA-N 1 0 241.375 1.941 10 0 BDAERO CC(C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226658591 134368427 /nfs/dbraw/zinc/36/84/27/134368427.db2.gz HOYJBNCSTGJNOX-QWRGUYRKSA-N 1 0 225.336 1.273 10 0 BDAERO C[NH2+][C@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1 ZINC000000008496 383818047 /nfs/dbraw/zinc/81/80/47/383818047.db2.gz XPSQPHWEGNHMSK-VIFPVBQESA-N 1 0 243.310 1.344 10 0 in-vitro BDAERO C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000069796680 383846009 /nfs/dbraw/zinc/84/60/09/383846009.db2.gz AWKWXITXBWLLJK-PWSUYJOCSA-N 1 0 222.336 1.022 10 0 BDAERO Cn1cccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1O2 ZINC000087689808 383859144 /nfs/dbraw/zinc/85/91/44/383859144.db2.gz APDVSXAJBNBDFD-WOPDTQHZSA-N 1 0 206.289 1.435 10 0 BDAERO [NH3+][C@@H]1CCN(CC(=O)c2cccc(F)c2)C1 ZINC000050242296 383986876 /nfs/dbraw/zinc/98/68/76/383986876.db2.gz DAZHOBMAFDFNGO-LLVKDONJSA-N 1 0 222.263 1.041 10 0 BDAERO COC[C@@]1(C(=O)NC2CCCCC2)CCC[NH2+]1 ZINC000643613815 383995050 /nfs/dbraw/zinc/99/50/50/383995050.db2.gz DLGGDQBJTQDBMT-CYBMUJFWSA-N 1 0 240.347 1.204 10 0 BDAERO CN(C)Cc1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000050329876 383999125 /nfs/dbraw/zinc/99/91/25/383999125.db2.gz UWOMEEJKQBLETI-SSDOTTSWSA-N 1 0 211.334 1.541 10 0 BDAERO C[NH2+][C@H](C)C(=O)c1ccc2[nH]ccc2c1 ZINC000089208858 383946603 /nfs/dbraw/zinc/94/66/03/383946603.db2.gz PXNJPKFIZYDFKB-MRVPVSSYSA-N 1 0 202.257 1.959 10 0 BDAERO CC[NH+](CC)CCOc1[nH]nc2ncccc21 ZINC000089224690 383951191 /nfs/dbraw/zinc/95/11/91/383951191.db2.gz AKIIKCGDNWKBLN-UHFFFAOYSA-N 1 0 234.303 1.679 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1ccncc1 ZINC000296173116 383952896 /nfs/dbraw/zinc/95/28/96/383952896.db2.gz LCDSEOVXLSONSD-YPMHNXCESA-N 1 0 220.316 1.469 10 0 BDAERO Cc1ocnc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113231038 383972725 /nfs/dbraw/zinc/97/27/25/383972725.db2.gz BKRQMNNEYHQKLZ-GXSJLCMTSA-N 1 0 249.314 1.292 10 0 BDAERO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643614707 384016833 /nfs/dbraw/zinc/01/68/33/384016833.db2.gz ILUBFQZFVDXJFL-IJLUTSLNSA-N 1 0 240.347 1.012 10 0 BDAERO COC[C@]1(C(=O)Nc2cccc(C)c2)CCC[NH2+]1 ZINC000643615016 384018805 /nfs/dbraw/zinc/01/88/05/384018805.db2.gz SYAKRGKXNIIGKP-AWEZNQCLSA-N 1 0 248.326 1.702 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643616087 384007821 /nfs/dbraw/zinc/00/78/21/384007821.db2.gz ITFKQNUZKLBXGT-PWSUYJOCSA-N 1 0 228.336 1.060 10 0 BDAERO O=c1[nH]c(N[C@H]2CCC[NH2+]C2)nc2ccccc21 ZINC000073668268 384027992 /nfs/dbraw/zinc/02/79/92/384027992.db2.gz RVSVXARJXAGLKO-VIFPVBQESA-N 1 0 244.298 1.087 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]([NH3+])CC[C@H]21 ZINC000072233148 384083316 /nfs/dbraw/zinc/08/33/16/384083316.db2.gz RCQBFNOOVOQOAB-IVZWLZJFSA-N 1 0 226.320 1.733 10 0 BDAERO N[C@H](C[NH3+])c1ccc(Br)s1 ZINC000035677009 384089008 /nfs/dbraw/zinc/08/90/08/384089008.db2.gz QANOLTOLTKGRFP-SCSAIBSYSA-N 1 0 221.123 1.469 10 0 BDAERO Cc1csc([C@@]2([NH3+])CCO[C@@H](C)C2)n1 ZINC000069894629 384069014 /nfs/dbraw/zinc/06/90/14/384069014.db2.gz WUDUYYBTVRRKAU-WCBMZHEXSA-N 1 0 212.318 1.804 10 0 BDAERO Cc1csc([C@]2([NH3+])CCO[C@H](C)C2)n1 ZINC000069894624 384069088 /nfs/dbraw/zinc/06/90/88/384069088.db2.gz WUDUYYBTVRRKAU-SCZZXKLOSA-N 1 0 212.318 1.804 10 0 BDAERO Brc1cncc(OC2C[NH2+]C2)c1 ZINC000070043736 384075677 /nfs/dbraw/zinc/07/56/77/384075677.db2.gz MZHLQCRYZGUXRC-UHFFFAOYSA-N 1 0 229.077 1.195 10 0 BDAERO Cc1c(C(=O)CC[NH+](C)C)cnc2ccnn21 ZINC000072416269 384113849 /nfs/dbraw/zinc/11/38/49/384113849.db2.gz SFZQGNPFGBXOTD-UHFFFAOYSA-N 1 0 232.287 1.172 10 0 BDAERO CCC[C@](C)([NH3+])C(=O)NCc1ccoc1 ZINC000163192633 384155791 /nfs/dbraw/zinc/15/57/91/384155791.db2.gz OQCVTMQWRKTOOL-NSHDSACASA-N 1 0 210.277 1.413 10 0 BDAERO COc1ccc([C@H](O)[C@@H](C)[NH3+])cc1Cl ZINC000071519477 384168607 /nfs/dbraw/zinc/16/86/07/384168607.db2.gz QRVGVTNWPNIGBJ-LHLIQPBNSA-N 1 0 215.680 1.729 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1C ZINC000040854753 384168809 /nfs/dbraw/zinc/16/88/09/384168809.db2.gz AFBUSMISYCWTDN-CMPLNLGQSA-N 1 0 220.316 1.910 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000334744799 384170469 /nfs/dbraw/zinc/17/04/69/384170469.db2.gz AELHYDFPQJUVCJ-GXFFZTMASA-N 1 0 248.326 1.773 10 0 BDAERO Cc1ccccc1OCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000643590030 384177407 /nfs/dbraw/zinc/17/74/07/384177407.db2.gz ULELHUFKVJRXON-NEPJUHHUSA-N 1 0 248.326 1.322 10 0 BDAERO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c(C)s1 ZINC000643590137 384177788 /nfs/dbraw/zinc/17/77/88/384177788.db2.gz SDGFPHFOQWXDSZ-KCJUWKMLSA-N 1 0 238.356 1.927 10 0 BDAERO Cc1ccccc1OCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000643590033 384178187 /nfs/dbraw/zinc/17/81/87/384178187.db2.gz ULELHUFKVJRXON-VXGBXAGGSA-N 1 0 248.326 1.322 10 0 BDAERO C[NH2+][C@@H](C)CNc1nc(C)cc(C(C)C)n1 ZINC000304315963 384184007 /nfs/dbraw/zinc/18/40/07/384184007.db2.gz RIPBLFRYYMRKPU-JTQLQIEISA-N 1 0 222.336 1.928 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(O)c2)C1 ZINC000334745281 384202440 /nfs/dbraw/zinc/20/24/40/384202440.db2.gz FKWZOMZPAPCQAX-ZWNOBZJWSA-N 1 0 221.300 1.595 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](Cc2cccc(O)c2)C1 ZINC000334745278 384203068 /nfs/dbraw/zinc/20/30/68/384203068.db2.gz FKWZOMZPAPCQAX-GWCFXTLKSA-N 1 0 221.300 1.595 10 0 BDAERO COC[C@]1(C(=O)NCCC(C)(C)C)CCC[NH2+]1 ZINC000643628327 384187775 /nfs/dbraw/zinc/18/77/75/384187775.db2.gz NXGDSNPSJZNEHT-ZDUSSCGKSA-N 1 0 242.363 1.307 10 0 BDAERO [NH3+][C@H](CO)c1cc(Cl)ccc1Cl ZINC000072198012 384200766 /nfs/dbraw/zinc/20/07/66/384200766.db2.gz GTRJRSYOEJFYII-MRVPVSSYSA-N 1 0 206.072 1.986 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cccc(O)c1 ZINC000282320685 384233636 /nfs/dbraw/zinc/23/36/36/384233636.db2.gz NPSVPIDLIBRGIP-KWBADKCTSA-N 1 0 248.326 1.710 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](CCCF)C2)cn1 ZINC000132055694 384212462 /nfs/dbraw/zinc/21/24/62/384212462.db2.gz FYCFTACZGJMZIO-JTQLQIEISA-N 1 0 211.284 1.569 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC000082279785 384220717 /nfs/dbraw/zinc/22/07/17/384220717.db2.gz HELIDKAZBOYKAG-SECBINFHSA-N 1 0 224.329 1.524 10 0 BDAERO [NH3+]Cc1cn(CCCCc2ccccc2)nn1 ZINC000158704625 384259689 /nfs/dbraw/zinc/25/96/89/384259689.db2.gz YXCYDGPUHQBCJH-UHFFFAOYSA-N 1 0 230.315 1.760 10 0 BDAERO C[C@H](C(=O)Nc1nc[nH]n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000226564697 384267283 /nfs/dbraw/zinc/26/72/83/384267283.db2.gz IDWDOAXARMFVSU-HRDYMLBCSA-N 1 0 237.307 1.005 10 0 BDAERO O=C1CC[NH2+]C[C@H]1c1nccc2[nH]ccc21 ZINC000074115639 384272353 /nfs/dbraw/zinc/27/23/53/384272353.db2.gz UIQQIDHETBLJQP-SECBINFHSA-N 1 0 215.256 1.209 10 0 BDAERO CCCCN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000643643278 384273886 /nfs/dbraw/zinc/27/38/86/384273886.db2.gz ABOFLENTSUITMG-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@@H]1OCC[C@@H]1Nc1ncnc(N)c1Cl ZINC000235280505 384315409 /nfs/dbraw/zinc/31/54/09/384315409.db2.gz VQSMGALLYFTIFT-WDSKDSINSA-N 1 0 228.683 1.302 10 0 BDAERO CN(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000043501400 384281525 /nfs/dbraw/zinc/28/15/25/384281525.db2.gz SMLKZJQYGAOQQG-LBPRGKRZSA-N 1 0 205.305 1.265 10 0 BDAERO CC(C)(C)OC(=O)N1CC[NH2+]CC2(CC2)C1 ZINC000097758739 384283122 /nfs/dbraw/zinc/28/31/22/384283122.db2.gz SGNYNNBRSJFDNX-UHFFFAOYSA-N 1 0 226.320 1.607 10 0 BDAERO CC[C@@H](O)C[NH+]1CCN([C@H]2C=CCCC2)CC1 ZINC000174077890 384301610 /nfs/dbraw/zinc/30/16/10/384301610.db2.gz PCZIHUWRLKPJDX-UONOGXRCSA-N 1 0 238.375 1.484 10 0 BDAERO Cc1cnc(NC[C@@H]2CCC[NH2+]2)nc1Cl ZINC000095069334 384335024 /nfs/dbraw/zinc/33/50/24/384335024.db2.gz IKNHXGKQBYTBQP-QMMMGPOBSA-N 1 0 226.711 1.602 10 0 BDAERO Clc1ccc(COC[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069855 384335327 /nfs/dbraw/zinc/33/53/27/384335327.db2.gz OYBITTVZTCIVSJ-SECBINFHSA-N 1 0 241.722 1.646 10 0 BDAERO Cc1cnc(N2CCC[C@H](C[NH3+])C2)nc1Cl ZINC000095069321 384335502 /nfs/dbraw/zinc/33/55/02/384335502.db2.gz GVXDQJKLRJJBMW-SECBINFHSA-N 1 0 240.738 1.614 10 0 BDAERO Clc1nccnc1COCC1CC[NH2+]CC1 ZINC000095070391 384336368 /nfs/dbraw/zinc/33/63/68/384336368.db2.gz JXBGVIJXMKUHEA-UHFFFAOYSA-N 1 0 241.722 1.646 10 0 BDAERO Cc1cnc(N(C)[C@H]2CCC[NH2+]C2)nc1Cl ZINC000095070555 384336414 /nfs/dbraw/zinc/33/64/14/384336414.db2.gz VKDYCWTWQMBNEE-VIFPVBQESA-N 1 0 240.738 1.627 10 0 BDAERO Clc1ncc(COC[C@H]2CC[NH2+]C2)s1 ZINC000095070220 384337548 /nfs/dbraw/zinc/33/75/48/384337548.db2.gz RYOYIKAUUQUDFV-ZETCQYMHSA-N 1 0 232.736 1.923 10 0 BDAERO CN(CC(=O)c1nccs1)C[C@H]1CCC[NH2+]1 ZINC000095071003 384338620 /nfs/dbraw/zinc/33/86/20/384338620.db2.gz LOJUYJUUDLGRJN-SECBINFHSA-N 1 0 239.344 1.010 10 0 BDAERO Cc1ccnc(N(C)C[C@H]2CC[NH2+]C2)c1 ZINC000095071221 384338696 /nfs/dbraw/zinc/33/86/96/384338696.db2.gz MWVKFSCIZAQTJT-NSHDSACASA-N 1 0 205.305 1.436 10 0 BDAERO Cc1ccnc(N(C)C[C@H]2CCCC[NH2+]2)n1 ZINC000095070803 384339029 /nfs/dbraw/zinc/33/90/29/384339029.db2.gz USUQQKSEEPJXJH-LLVKDONJSA-N 1 0 220.320 1.363 10 0 BDAERO CN(Cc1nccnc1Cl)[C@H]1CCC[NH2+]C1 ZINC000095070740 384339338 /nfs/dbraw/zinc/33/93/38/384339338.db2.gz CTXGXYUXVTYQKO-VIFPVBQESA-N 1 0 240.738 1.314 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1cncs1 ZINC000095072302 384343032 /nfs/dbraw/zinc/34/30/32/384343032.db2.gz LHGLULYPUPRVBK-ZJUUUORDSA-N 1 0 211.334 1.503 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCc1ccc(Cl)nn1 ZINC000095072311 384343720 /nfs/dbraw/zinc/34/37/20/384343720.db2.gz MKYXLVKALSNTEO-VHSXEESVSA-N 1 0 240.738 1.490 10 0 BDAERO O=C(COCC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095072920 384345733 /nfs/dbraw/zinc/34/57/33/384345733.db2.gz ROHOCBDCXHENDO-LLVKDONJSA-N 1 0 249.314 1.208 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2ccc(F)cn2)C1 ZINC000335581989 384347073 /nfs/dbraw/zinc/34/70/73/384347073.db2.gz PFZVTKAJERXJAP-WPRPVWTQSA-N 1 0 209.268 1.760 10 0 BDAERO O=[S@](C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095073615 384348410 /nfs/dbraw/zinc/34/84/10/384348410.db2.gz HWERYQSXJZJHBZ-RTHLEPHNSA-N 1 0 230.358 1.250 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CC2CC(F)(F)C2)C1 ZINC000335592059 384353769 /nfs/dbraw/zinc/35/37/69/384353769.db2.gz ZTUOWMRSDZSDMB-PSASIEDQSA-N 1 0 219.275 1.734 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCC(=O)c1ccccn1 ZINC000095077412 384353913 /nfs/dbraw/zinc/35/39/13/384353913.db2.gz BZTRIWABYJENIV-WDEREUQCSA-N 1 0 233.315 1.124 10 0 BDAERO c1cnc(OCCC2CC[NH2+]CC2)cn1 ZINC000095092498 384359904 /nfs/dbraw/zinc/35/99/04/384359904.db2.gz DOVMMWXCGMBPCY-UHFFFAOYSA-N 1 0 207.277 1.245 10 0 BDAERO c1cnc(COCC[C@H]2CCC[NH2+]C2)cn1 ZINC000095092495 384361612 /nfs/dbraw/zinc/36/16/12/384361612.db2.gz FCRQIXFCQGVAMO-LLVKDONJSA-N 1 0 221.304 1.383 10 0 BDAERO c1cncc(CSC[C@H]2CC[NH2+]C2)c1 ZINC000095092752 384362169 /nfs/dbraw/zinc/36/21/69/384362169.db2.gz FKONOQRWNWPJTK-NSHDSACASA-N 1 0 208.330 1.924 10 0 BDAERO c1ccc(CSC[C@@H]2CC[NH2+]C2)nc1 ZINC000095092742 384363828 /nfs/dbraw/zinc/36/38/28/384363828.db2.gz FRGCYOISIGMRDI-SNVBAGLBSA-N 1 0 208.330 1.924 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)ccn1 ZINC000335598866 384364298 /nfs/dbraw/zinc/36/42/98/384364298.db2.gz YLFJGZAENGUQNJ-CMPLNLGQSA-N 1 0 233.315 1.139 10 0 BDAERO C[N@H+](CC1CC(O)C1)C1CCC(=O)CC1 ZINC000157250393 384367021 /nfs/dbraw/zinc/36/70/21/384367021.db2.gz LDDHVXHAFXBMKR-UHFFFAOYSA-N 1 0 211.305 1.201 10 0 BDAERO CN1C(=O)C[C@@H](C[NH3+])[C@H]1c1ccccc1 ZINC000095347710 384369069 /nfs/dbraw/zinc/36/90/69/384369069.db2.gz VPJNCUJVFAIGTH-CMPLNLGQSA-N 1 0 204.273 1.165 10 0 BDAERO Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)cn1 ZINC000335598884 384370713 /nfs/dbraw/zinc/37/07/13/384370713.db2.gz ZCOIDBGJBRFHRV-WCQYABFASA-N 1 0 247.342 1.394 10 0 BDAERO Cc1ccnc(OCCC[C@H]2CCC[NH2+]C2)n1 ZINC000095069416 384333904 /nfs/dbraw/zinc/33/39/04/384333904.db2.gz XERVPWZQQAQMKZ-GFCCVEGCSA-N 1 0 235.331 1.944 10 0 BDAERO Clc1cnc(OC[C@@H]2CCC[NH2+]2)nc1 ZINC000095070049 384334282 /nfs/dbraw/zinc/33/42/82/384334282.db2.gz DVUIOEJZUGURQO-QMMMGPOBSA-N 1 0 213.668 1.261 10 0 BDAERO CN1C(=[NH2+])NC[C@H]1c1ccccc1Cl ZINC000060099313 384426238 /nfs/dbraw/zinc/42/62/38/384426238.db2.gz DGTWYIOULAKAFA-VIFPVBQESA-N 1 0 209.680 1.641 10 0 BDAERO Fc1ccc(-n2cc3c(n2)CC[NH2+]C3)nc1 ZINC000095917728 384408219 /nfs/dbraw/zinc/40/82/19/384408219.db2.gz YROJXXMFMIHINU-UHFFFAOYSA-N 1 0 218.235 1.052 10 0 BDAERO CC(C)CC[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404195655 384424945 /nfs/dbraw/zinc/42/49/45/384424945.db2.gz JAWDFRYDPPLOPI-RYUDHWBXSA-N 1 0 212.337 1.095 10 0 BDAERO COC[C@H](C)[NH2+][C@@H]1[C@H](C)[C@H](OC)C12CCC2 ZINC000309489157 384379666 /nfs/dbraw/zinc/37/96/66/384379666.db2.gz WMSRRNGDPZRONN-YFKTTZPYSA-N 1 0 227.348 1.815 10 0 BDAERO C[C@H]1OCC[C@H]1Nc1ncnc(N)c1Cl ZINC000235614658 384474889 /nfs/dbraw/zinc/47/48/89/384474889.db2.gz VQSMGALLYFTIFT-PHDIDXHHSA-N 1 0 228.683 1.302 10 0 BDAERO CSc1nc(Cl)cc(CC[NH3+])n1 ZINC000079045271 384481690 /nfs/dbraw/zinc/48/16/90/384481690.db2.gz GHXIAWNNRYWXSJ-UHFFFAOYSA-N 1 0 203.698 1.353 10 0 BDAERO COc1cccnc1N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164006875 384506631 /nfs/dbraw/zinc/50/66/31/384506631.db2.gz MLPUMLQFUMUQPZ-MNOVXSKESA-N 1 0 235.331 1.511 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403101123 384521573 /nfs/dbraw/zinc/52/15/73/384521573.db2.gz BNBSAIJJLBXMBG-NNYUYHANSA-N 1 0 224.348 1.665 10 0 BDAERO [NH3+]Cc1cn(Cc2sccc2Cl)nn1 ZINC000307409581 384541646 /nfs/dbraw/zinc/54/16/46/384541646.db2.gz QFJWXYJNOFLUNQ-UHFFFAOYSA-N 1 0 228.708 1.500 10 0 BDAERO COc1cccnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306119801 384573575 /nfs/dbraw/zinc/57/35/75/384573575.db2.gz ZGQBFYWPCIRLSF-CYBMUJFWSA-N 1 0 233.315 1.280 10 0 BDAERO CC(C)[N@@H+]1CCC[C@H](c2cc(N)n[nH]2)C1 ZINC000258400557 384574653 /nfs/dbraw/zinc/57/46/53/384574653.db2.gz CBWHJJRHQJQVKN-VIFPVBQESA-N 1 0 208.309 1.580 10 0 BDAERO Clc1cncnc1NCC[C@H]1CCC[NH2+]C1 ZINC000163681649 384574912 /nfs/dbraw/zinc/57/49/12/384574912.db2.gz WLSJYIIFOBMXKP-SECBINFHSA-N 1 0 240.738 1.932 10 0 BDAERO Cc1cc(N[C@@H](C)C[NH3+])ncc1Br ZINC000163958040 384587360 /nfs/dbraw/zinc/58/73/60/384587360.db2.gz YDOXADUAWBBPBA-ZETCQYMHSA-N 1 0 244.136 1.912 10 0 BDAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1Cc1ccccc1 ZINC000020285695 384611083 /nfs/dbraw/zinc/61/10/83/384611083.db2.gz QEZGAANBMURYQX-BNOWGMLFSA-N 1 0 216.328 1.869 10 0 BDAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]2C)C1 ZINC000176346059 384616494 /nfs/dbraw/zinc/61/64/94/384616494.db2.gz UCAYMKVRVLFOGU-TUAOUCFPSA-N 1 0 239.363 1.521 10 0 BDAERO COC[C@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000103430582 384627146 /nfs/dbraw/zinc/62/71/46/384627146.db2.gz ZVNTVNQCVZETBF-LBPRGKRZSA-N 1 0 242.363 1.117 10 0 BDAERO Cc1ccc(N[C@H]2CC[C@H]([NH3+])CC2)nn1 ZINC000100258796 384628289 /nfs/dbraw/zinc/62/82/89/384628289.db2.gz WVUMFUCKJUQQTB-AOOOYVTPSA-N 1 0 206.293 1.467 10 0 BDAERO [NH3+][C@H]1CC[C@H](Nc2ncccc2O)CC1 ZINC000100267886 384628297 /nfs/dbraw/zinc/62/82/97/384628297.db2.gz MEHZSQBYJVIZNF-DTORHVGOSA-N 1 0 207.277 1.469 10 0 BDAERO [NH3+][C@@H](CCO)[C@@H]1CCCCN1Cc1ccccc1 ZINC000100278746 384630748 /nfs/dbraw/zinc/63/07/48/384630748.db2.gz MGUFXDGIOHHUKA-GJZGRUSLSA-N 1 0 248.370 1.751 10 0 BDAERO C[C@@H](NCc1csnn1)c1cncc(F)c1 ZINC000309811537 384631042 /nfs/dbraw/zinc/63/10/42/384631042.db2.gz UIJSNTXPVQKDPS-SSDOTTSWSA-N 1 0 238.291 1.923 10 0 BDAERO [NH3+]Cc1cscc1I ZINC000098095774 384594279 /nfs/dbraw/zinc/59/42/79/384594279.db2.gz HWRWSOBPYVMUKX-UHFFFAOYSA-N 1 0 239.081 1.811 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H](c2ccccc2F)C1 ZINC000082162811 384647985 /nfs/dbraw/zinc/64/79/85/384647985.db2.gz QEDPVCJMKKKJPN-VHSXEESVSA-N 1 0 237.274 1.692 10 0 BDAERO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000154699318 384657371 /nfs/dbraw/zinc/65/73/71/384657371.db2.gz SCAXGQWQQIAJSH-QWRGUYRKSA-N 1 0 228.336 1.010 10 0 BDAERO Cc1ccc(C[C@@H]2COCC[C@@H]2[NH3+])cc1 ZINC000082379458 384675912 /nfs/dbraw/zinc/67/59/12/384675912.db2.gz RHBHAUPGYWTXLL-OLZOCXBDSA-N 1 0 205.301 1.901 10 0 BDAERO CCn1nccc1C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000160198871 384658251 /nfs/dbraw/zinc/65/82/51/384658251.db2.gz HLXQTNFFLWWKKP-OLZOCXBDSA-N 1 0 237.347 1.686 10 0 BDAERO CCc1csc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000306751197 384677852 /nfs/dbraw/zinc/67/78/52/384677852.db2.gz NHMCMUMYHFINQJ-HTQZYQBOSA-N 1 0 211.334 1.631 10 0 BDAERO Cc1csc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000051883479 384697425 /nfs/dbraw/zinc/69/74/25/384697425.db2.gz JXTGPOANWZIXDC-VIFPVBQESA-N 1 0 212.318 1.972 10 0 BDAERO Fc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC000051869966 384697681 /nfs/dbraw/zinc/69/76/81/384697681.db2.gz KDTLZQVWSSMADR-UHFFFAOYSA-N 1 0 210.252 1.599 10 0 BDAERO CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H]([NH3+])CC[C@@H]21 ZINC000307152380 384697869 /nfs/dbraw/zinc/69/78/69/384697869.db2.gz YBKQTUGFQHAILU-KXUCPTDWSA-N 1 0 242.319 1.112 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC000102245027 384702546 /nfs/dbraw/zinc/70/25/46/384702546.db2.gz UEHVMSBUAJMNRH-CIUDSAMLSA-N 1 0 212.293 1.119 10 0 BDAERO CC(C)(C)OC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082687115 384703389 /nfs/dbraw/zinc/70/33/89/384703389.db2.gz XAAPZOVOOATVEC-SNVBAGLBSA-N 1 0 226.320 1.702 10 0 BDAERO CC(C)(C)OC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000082687116 384705013 /nfs/dbraw/zinc/70/50/13/384705013.db2.gz XAAPZOVOOATVEC-JTQLQIEISA-N 1 0 226.320 1.702 10 0 BDAERO c1ccc2nc(O[C@@H]3CCC[NH2+]C3)cnc2c1 ZINC000052018309 384709958 /nfs/dbraw/zinc/70/99/58/384709958.db2.gz YUVUJOQVCDAQKS-SNVBAGLBSA-N 1 0 229.283 1.761 10 0 BDAERO [NH3+][C@@H](C(=O)N[C@H]1COc2ccccc21)C1CCC1 ZINC000335021871 384773241 /nfs/dbraw/zinc/77/32/41/384773241.db2.gz JFAMIEIQOBCHRN-WCQYABFASA-N 1 0 246.310 1.364 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000052272714 384729729 /nfs/dbraw/zinc/72/97/29/384729729.db2.gz HZDXESCZTXDYKM-MFKMUULPSA-N 1 0 228.299 1.765 10 0 BDAERO O=C1Cc2ccc(C3CC[NH2+]CC3)cc2N1 ZINC000082970926 384731230 /nfs/dbraw/zinc/73/12/30/384731230.db2.gz OKNXVFPVIXCNIF-UHFFFAOYSA-N 1 0 216.284 1.648 10 0 BDAERO C[C@H]([NH3+])Cc1ccncc1Br ZINC000044461745 384731930 /nfs/dbraw/zinc/73/19/30/384731930.db2.gz NQMRSVHXISSICR-LURJTMIESA-N 1 0 215.094 1.734 10 0 BDAERO Cc1ccc([C@@H]2CNC(=O)C23CC[NH2+]CC3)cc1 ZINC000020446231 384739115 /nfs/dbraw/zinc/73/91/15/384739115.db2.gz DKNYYDARTPZLMA-ZDUSSCGKSA-N 1 0 244.338 1.578 10 0 BDAERO c1nc2cccnc2n1CC1CC[NH2+]CC1 ZINC000082656191 384742996 /nfs/dbraw/zinc/74/29/96/384742996.db2.gz FQXSSEIGCWLSJC-UHFFFAOYSA-N 1 0 216.288 1.431 10 0 BDAERO Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)c1 ZINC000125763247 384749321 /nfs/dbraw/zinc/74/93/21/384749321.db2.gz DHBVUFFIFOWLDD-QWHCGFSZSA-N 1 0 222.332 1.666 10 0 BDAERO Cc1cnc(-c2cccc(NC(=O)[C@H](C)[NH3+])c2)o1 ZINC000083908419 384816500 /nfs/dbraw/zinc/81/65/00/384816500.db2.gz VHDLCUZUGGHPEA-VIFPVBQESA-N 1 0 245.282 1.936 10 0 BDAERO O=C1NC[C@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000088538436 384786333 /nfs/dbraw/zinc/78/63/33/384786333.db2.gz NMWVPUATSDLADD-ZDUSSCGKSA-N 1 0 232.283 1.371 10 0 BDAERO COC[C@]1(C(=O)N[C@H]2CCC[C@@H]2C)CCC[NH2+]1 ZINC000643684340 384788268 /nfs/dbraw/zinc/78/82/68/384788268.db2.gz MGKMHSUMPBSKPD-GVXVVHGQSA-N 1 0 240.347 1.060 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C(CO)CO)s1 ZINC000083693006 384792555 /nfs/dbraw/zinc/79/25/55/384792555.db2.gz DZHRVQZJPRLCHF-QMMMGPOBSA-N 1 0 215.318 1.060 10 0 BDAERO C[C@@H]([NH2+]C(CO)CO)c1ccccc1Cl ZINC000083691935 384794458 /nfs/dbraw/zinc/79/44/58/384794458.db2.gz KBTXUNGGHANUIH-MRVPVSSYSA-N 1 0 229.707 1.344 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)CC(F)F ZINC000648193659 384809527 /nfs/dbraw/zinc/80/95/27/384809527.db2.gz HLJAYZKLALLPCK-SFYZADRCSA-N 1 0 222.279 1.521 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)CC(F)F ZINC000648193965 384811398 /nfs/dbraw/zinc/81/13/98/384811398.db2.gz OXEYCVJIKCSYKW-JGVFFNPUSA-N 1 0 220.263 1.003 10 0 BDAERO [NH3+][C@H](CO)c1cc(C(F)(F)F)ccc1F ZINC000072198443 384815100 /nfs/dbraw/zinc/81/51/00/384815100.db2.gz AOOXYSDYIWWUNE-MRVPVSSYSA-N 1 0 223.169 1.837 10 0 BDAERO N[C@H](C[NH3+])c1c(F)ccc(Cl)c1F ZINC000072200689 384815275 /nfs/dbraw/zinc/81/52/75/384815275.db2.gz SIAQKUPZLAYXPT-ZCFIWIBFSA-N 1 0 206.623 1.577 10 0 BDAERO Cc1ccc(OC2CCC([NH3+])CC2)nn1 ZINC000055143460 384873227 /nfs/dbraw/zinc/87/32/27/384873227.db2.gz ZPBBEPDWFVSIPU-UHFFFAOYSA-N 1 0 207.277 1.434 10 0 BDAERO Cc1scc(C(=O)N2CCC[C@H]2C[NH3+])c1C ZINC000335145263 384839084 /nfs/dbraw/zinc/83/90/84/384839084.db2.gz GTJFXIABENPNPR-JTQLQIEISA-N 1 0 238.356 1.928 10 0 BDAERO [NH3+]CCc1nnc(COc2ccc(F)cc2)[nH]1 ZINC000072236550 384840582 /nfs/dbraw/zinc/84/05/82/384840582.db2.gz XXIFWYNSOGECIS-UHFFFAOYSA-N 1 0 236.250 1.024 10 0 BDAERO COC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000084191559 384846828 /nfs/dbraw/zinc/84/68/28/384846828.db2.gz XWXXMFALIKKIKK-QMMMGPOBSA-N 1 0 205.179 1.750 10 0 BDAERO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1cccs1 ZINC000335211720 384850788 /nfs/dbraw/zinc/85/07/88/384850788.db2.gz CUKDOYOCACYFDL-MRVPVSSYSA-N 1 0 224.329 1.535 10 0 BDAERO CCC1(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000174954122 384854642 /nfs/dbraw/zinc/85/46/42/384854642.db2.gz KKWAPAXBJJLJMK-NSHDSACASA-N 1 0 239.363 1.522 10 0 BDAERO COc1cc(Br)ccc1C(N)=[NH2+] ZINC000084296351 384857986 /nfs/dbraw/zinc/85/79/86/384857986.db2.gz HMVVQBCCWYLWCA-UHFFFAOYSA-N 1 0 229.077 1.742 10 0 BDAERO O=C1Nc2c(cccc2F)[C@@]12CC[NH2+]C2 ZINC000107147272 384951689 /nfs/dbraw/zinc/95/16/89/384951689.db2.gz HYLHXNHERFZTOG-NSHDSACASA-N 1 0 206.220 1.009 10 0 BDAERO CC(C)N(C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637942 384957035 /nfs/dbraw/zinc/95/70/35/384957035.db2.gz OCQFVVQXXBUIAZ-XQQFMLRXSA-N 1 0 240.391 1.730 10 0 BDAERO CC(C)(O)C(C)(C)[NH2+]CCC1(O)CC1 ZINC000308667304 384907544 /nfs/dbraw/zinc/90/75/44/384907544.db2.gz TUMFFLVCGLIBCO-UHFFFAOYSA-N 1 0 201.310 1.041 10 0 BDAERO C[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CCS1 ZINC000120531835 384927636 /nfs/dbraw/zinc/92/76/36/384927636.db2.gz OVJMRVFPMSQXGN-ONGXEEELSA-N 1 0 228.361 1.092 10 0 BDAERO c1cc(N2CCCCC2)nc2c1C[NH2+]CCO2 ZINC000085210598 384928291 /nfs/dbraw/zinc/92/82/91/384928291.db2.gz UIDHETUKIJBHQB-UHFFFAOYSA-N 1 0 233.315 1.554 10 0 BDAERO Cn1c2ccccc2nc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000335578767 384931065 /nfs/dbraw/zinc/93/10/65/384931065.db2.gz GSFFXPCOWWJUMF-QWRGUYRKSA-N 1 0 244.342 1.677 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106916734 384942909 /nfs/dbraw/zinc/94/29/09/384942909.db2.gz NLIPTDQHDGAQHI-KWCYVHTRSA-N 1 0 246.354 1.684 10 0 BDAERO Cc1ccnc(N[C@@H]2CC[C@H]([NH+](C)C)C2)n1 ZINC000301934584 384945316 /nfs/dbraw/zinc/94/53/16/384945316.db2.gz QVVLRWOQWZLNGC-MNOVXSKESA-N 1 0 220.320 1.680 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(C)C ZINC000085789974 384967838 /nfs/dbraw/zinc/96/78/38/384967838.db2.gz NRGKECVPMPDBCE-VXGBXAGGSA-N 1 0 214.353 1.341 10 0 BDAERO COC[C@H]1CC[N@@H+]1CCSC(C)C ZINC000339281140 384984173 /nfs/dbraw/zinc/98/41/73/384984173.db2.gz IMHZKTUMTNBETA-SNVBAGLBSA-N 1 0 203.351 1.849 10 0 BDAERO CC(C)[C@H](CN)[N@@H+]1CCCO[C@H](C)C1 ZINC000061916112 385003868 /nfs/dbraw/zinc/00/38/68/385003868.db2.gz HCFMWMXTLAOOQE-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO CC(C)C1([NH2+]CCCS(=O)(=O)N(C)C)CC1 ZINC000339502149 385003880 /nfs/dbraw/zinc/00/38/80/385003880.db2.gz QMCXTTJXORMJOV-UHFFFAOYSA-N 1 0 248.392 1.046 10 0 BDAERO CC[C@@H](C)NC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339508585 385010474 /nfs/dbraw/zinc/01/04/74/385010474.db2.gz PHMSZDBCMCSFAE-SNVBAGLBSA-N 1 0 212.337 1.679 10 0 BDAERO C1C[NH2+]C[C@@H](SC2CCOCC2)C1 ZINC000062056267 385030366 /nfs/dbraw/zinc/03/03/66/385030366.db2.gz LRQKGHMVARXVNQ-JTQLQIEISA-N 1 0 201.335 1.651 10 0 BDAERO Cc1ccnc(N(C)CC2CC[NH2+]CC2)n1 ZINC000086703992 385040245 /nfs/dbraw/zinc/04/02/45/385040245.db2.gz KYURUIZOPBSDJL-UHFFFAOYSA-N 1 0 220.320 1.221 10 0 BDAERO CC[C@@H](O)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000644638868 385043611 /nfs/dbraw/zinc/04/36/11/385043611.db2.gz IZCKJARAFWPKPI-WRWGMCAJSA-N 1 0 215.337 1.551 10 0 BDAERO C[C@H](C[NH2+][C@@H](C)C1CCC1)N1CCOCC1 ZINC000177729883 385091937 /nfs/dbraw/zinc/09/19/37/385091937.db2.gz VJSMLJLASXKUIT-NEPJUHHUSA-N 1 0 226.364 1.485 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 ZINC000119428836 385095177 /nfs/dbraw/zinc/09/51/77/385095177.db2.gz LMFMPTIOJJZSLS-TUAOUCFPSA-N 1 0 214.353 1.029 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2[C@@H]2CCCC[C@@H]2O)cn1 ZINC000119419054 385095238 /nfs/dbraw/zinc/09/52/38/385095238.db2.gz NRHLXIMVEDHILI-MJBXVCDLSA-N 1 0 249.358 1.861 10 0 BDAERO [NH3+]C[C@@H]1CCN(c2ccnc3cccnc32)C1 ZINC000341022723 385103063 /nfs/dbraw/zinc/10/30/63/385103063.db2.gz XFBZOJNGTQLQBO-JTQLQIEISA-N 1 0 228.299 1.415 10 0 BDAERO C[C@@H](O)CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000644686551 385105658 /nfs/dbraw/zinc/10/56/58/385105658.db2.gz PJJXTOFUZYDKRE-SECBINFHSA-N 1 0 206.289 1.425 10 0 BDAERO Cn1c2cc(F)ccc2nc1NCC[NH3+] ZINC000107205478 385188218 /nfs/dbraw/zinc/18/82/18/385188218.db2.gz MSMPXHKHJKPYFP-UHFFFAOYSA-N 1 0 208.240 1.083 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cc(Cl)ccn1 ZINC000647033203 385169336 /nfs/dbraw/zinc/16/93/36/385169336.db2.gz QTWZGIVZUFZXHY-ZETCQYMHSA-N 1 0 227.695 1.073 10 0 BDAERO CNc1nc(NC2CCCC2)c(N)c(C)[nH+]1 ZINC000033358811 385223457 /nfs/dbraw/zinc/22/34/57/385223457.db2.gz LNPMWJQHHWBBED-UHFFFAOYSA-N 1 0 221.308 1.763 10 0 BDAERO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(F)(F)F ZINC000062611402 385247876 /nfs/dbraw/zinc/24/78/76/385247876.db2.gz QOWBJRLOWXVHAU-SSDOTTSWSA-N 1 0 224.226 1.005 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COC ZINC000308910535 385285121 /nfs/dbraw/zinc/28/51/21/385285121.db2.gz DPIDDMVFMCNRMX-GRYCIOLGSA-N 1 0 215.337 1.552 10 0 BDAERO CC(F)(F)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000409424412 385332413 /nfs/dbraw/zinc/33/24/13/385332413.db2.gz BUSWBQYNBILFSU-ZJUUUORDSA-N 1 0 246.301 1.632 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000294969064 385344291 /nfs/dbraw/zinc/34/42/91/385344291.db2.gz IWVIHPGATXWTAC-AAEUAGOBSA-N 1 0 245.326 1.680 10 0 BDAERO CC[C@@H]1CN(c2nnc(C)c(C)n2)CC[C@@H]1[NH3+] ZINC000165382953 385383466 /nfs/dbraw/zinc/38/34/66/385383466.db2.gz BCDRBTWSVZLHKJ-MNOVXSKESA-N 1 0 235.335 1.052 10 0 BDAERO C[C@H](O)CC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000309072080 385404244 /nfs/dbraw/zinc/40/42/44/385404244.db2.gz OBQSPEPEFJBKCH-CMPLNLGQSA-N 1 0 223.320 1.328 10 0 BDAERO COC(=O)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000178701843 385412385 /nfs/dbraw/zinc/41/23/85/385412385.db2.gz LHFAKPPYGUQYQL-LLVKDONJSA-N 1 0 237.303 1.500 10 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CC(C)c1nn(C)cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000302308238 385510492 /nfs/dbraw/zinc/51/04/92/385510492.db2.gz CGVFVBJQVDZCQZ-VIFPVBQESA-N 1 0 236.319 1.092 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CC2CCCCC2)C1 ZINC000309289121 385515778 /nfs/dbraw/zinc/51/57/78/385515778.db2.gz PPASRKRZABOZHW-CHWSQXEVSA-N 1 0 227.348 1.648 10 0 BDAERO Cc1cnc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)s1 ZINC000282044231 385489757 /nfs/dbraw/zinc/48/97/57/385489757.db2.gz ATYYZLVKBHIMQU-BDAKNGLRSA-N 1 0 239.344 1.208 10 0 BDAERO CC(C)C1CC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000309319222 385533115 /nfs/dbraw/zinc/53/31/15/385533115.db2.gz DUEMPPJNDLDIMR-HBIQZDMRSA-N 1 0 224.348 1.678 10 0 BDAERO COC1(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)CCCC1 ZINC000319036753 385539102 /nfs/dbraw/zinc/53/91/02/385539102.db2.gz KNYPIOMKSPEOPW-QWRGUYRKSA-N 1 0 212.337 1.225 10 0 BDAERO C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308514436 259669962 /nfs/dbraw/zinc/66/99/62/259669962.db2.gz DOASVQCVOUHHTO-KXUCPTDWSA-N 1 0 203.326 1.142 10 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C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)C(C)(C)C ZINC000309510173 385645334 /nfs/dbraw/zinc/64/53/34/385645334.db2.gz OYRMQKDDFJAPPU-KWQFWETISA-N 1 0 216.300 1.239 10 0 BDAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCn1cncn1 ZINC000309518558 385652986 /nfs/dbraw/zinc/65/29/86/385652986.db2.gz ATMZKCVQXYOQSJ-WDEREUQCSA-N 1 0 226.299 1.396 10 0 BDAERO Cc1ccc(Br)cc1C[C@H]([NH3+])CO ZINC000259158242 385671830 /nfs/dbraw/zinc/67/18/30/385671830.db2.gz GGFYKIGQDSPKAF-JTQLQIEISA-N 1 0 244.132 1.620 10 0 BDAERO c1nc(C[NH2+]C[C@@H]2CC23CCOCC3)co1 ZINC000336690090 385717334 /nfs/dbraw/zinc/71/73/34/385717334.db2.gz WGOUAKNPRHEZSX-JTQLQIEISA-N 1 0 222.288 1.581 10 0 BDAERO CCOCCn1c(CCC[NH3+])nc2ccccc21 ZINC000040163859 385683315 /nfs/dbraw/zinc/68/33/15/385683315.db2.gz SGFFCTKCWQSHGQ-UHFFFAOYSA-N 1 0 247.342 1.964 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCCCO)C1(C)C ZINC000309588928 385717741 /nfs/dbraw/zinc/71/77/41/385717741.db2.gz TZBQYIKSBSIVNE-GRYCIOLGSA-N 1 0 229.364 1.798 10 0 BDAERO O=c1[n-]c([C@@H]2CCCC[N@H+]2CCCF)n[nH]1 ZINC000408456458 385698874 /nfs/dbraw/zinc/69/88/74/385698874.db2.gz IQMSTZHALBAGIJ-QMMMGPOBSA-N 1 0 228.271 1.397 10 0 BDAERO [NH3+][C@H]1C[C@@H]1CN1c2ccc(F)cc2CC1=O ZINC000211938259 385700804 /nfs/dbraw/zinc/70/08/04/385700804.db2.gz DSRXLRNYOIBCSQ-SCZZXKLOSA-N 1 0 220.247 1.062 10 0 BDAERO O=C1CC[C@H]([NH2+]CCCCF)[C@H](C2CC2)N1 ZINC000309571993 385700974 /nfs/dbraw/zinc/70/09/74/385700974.db2.gz NEHVIHTXKRCJNM-JQWIXIFHSA-N 1 0 228.311 1.383 10 0 BDAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)CS1 ZINC000309606189 385737496 /nfs/dbraw/zinc/73/74/96/385737496.db2.gz LIORJZLFPDJITM-AXFHLTTASA-N 1 0 242.388 1.385 10 0 BDAERO c1snnc1C[NH2+]C[C@@H]1CC12CCOCC2 ZINC000309650953 385770408 /nfs/dbraw/zinc/77/04/08/385770408.db2.gz XWABOKVYPRNKST-VIFPVBQESA-N 1 0 239.344 1.444 10 0 BDAERO Cc1nc(-c2ncccn2)sc1C[NH3+] ZINC000052329977 385724750 /nfs/dbraw/zinc/72/47/50/385724750.db2.gz ULYJAPIUEJWGQE-UHFFFAOYSA-N 1 0 206.274 1.367 10 0 BDAERO COC[C@@H](C)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187011855 385824439 /nfs/dbraw/zinc/82/44/39/385824439.db2.gz MDOGCFZAMVFPLJ-LLVKDONJSA-N 1 0 242.363 1.212 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2CC2CCOCC2)cn1 ZINC000112697682 385843196 /nfs/dbraw/zinc/84/31/96/385843196.db2.gz HQTANMLPBMKWPL-AWEZNQCLSA-N 1 0 249.358 1.984 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000215984742 385855574 /nfs/dbraw/zinc/85/55/74/385855574.db2.gz BKAICSKZBUTLMM-CHWSQXEVSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000215984117 385855707 /nfs/dbraw/zinc/85/57/07/385855707.db2.gz LLIYMOXBVQPEIR-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1c1cccc(OC)c1 ZINC000215989883 385855897 /nfs/dbraw/zinc/85/58/97/385855897.db2.gz QZZWHIDLXDKUIR-STQMWFEESA-N 1 0 249.310 1.561 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000309691938 385795773 /nfs/dbraw/zinc/79/57/73/385795773.db2.gz QAHBCJQXQXFSIS-LLVKDONJSA-N 1 0 220.320 1.457 10 0 BDAERO C[C@H]1CC[C@@H](NC2=[NH+]CCS2)CS1 ZINC000575535108 385902773 /nfs/dbraw/zinc/90/27/73/385902773.db2.gz RSUBVTBMPBERRD-JGVFFNPUSA-N 1 0 216.375 1.963 10 0 BDAERO C[C@@H]1C[C@H](NC2=[NH+]CCS2)[C@H](C)O1 ZINC000307095599 385905276 /nfs/dbraw/zinc/90/52/76/385905276.db2.gz CKUXSDZVGMGOGQ-CSMHCCOUSA-N 1 0 200.307 1.245 10 0 BDAERO C[C@]1(O)CCCC[C@@H]1[NH2+]C1CSC1 ZINC000575537077 385915108 /nfs/dbraw/zinc/91/51/08/385915108.db2.gz FVHSMZHGYWELLJ-UWVGGRQHSA-N 1 0 201.335 1.385 10 0 BDAERO CC[N@@H+]1CC[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616613594 385861930 /nfs/dbraw/zinc/86/19/30/385861930.db2.gz LZFGAUQFEZCJKQ-LBPRGKRZSA-N 1 0 218.300 1.595 10 0 BDAERO c1cnc(N2CCCC2)c(O[C@@H]2CC[NH2+]C2)c1 ZINC000216638571 385870201 /nfs/dbraw/zinc/87/02/01/385870201.db2.gz JJXSETYGAHGFNR-LLVKDONJSA-N 1 0 233.315 1.423 10 0 BDAERO [NH3+][C@H]1COC[C@H]1Cc1ccsc1Cl ZINC000575531256 385870351 /nfs/dbraw/zinc/87/03/51/385870351.db2.gz OYMKICOAWJZAFO-SFYZADRCSA-N 1 0 217.721 1.918 10 0 BDAERO COCc1noc([C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000070501810 385873613 /nfs/dbraw/zinc/87/36/13/385873613.db2.gz UUUWKMUTJPFXHN-YUMQZZPRSA-N 1 0 211.265 1.201 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@@H+]([C@@H]1CCOC1)CC2 ZINC000088023408 385977647 /nfs/dbraw/zinc/97/76/47/385977647.db2.gz WYHCHHWWQUESLS-XQQFMLRXSA-N 1 0 225.332 1.402 10 0 BDAERO C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)N1CCOCC1 ZINC000336748990 385988564 /nfs/dbraw/zinc/98/85/64/385988564.db2.gz TUBUFBDUEJCMHM-XQHKEYJVSA-N 1 0 226.364 1.341 10 0 BDAERO COC(=O)[C@]1(c2cccc(OC)c2)CC[NH2+]C1 ZINC000260688484 385934823 /nfs/dbraw/zinc/93/48/23/385934823.db2.gz ZCTYOROEOUKZBT-CYBMUJFWSA-N 1 0 235.283 1.099 10 0 BDAERO C[C@H](CC1CC1)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336746599 385953907 /nfs/dbraw/zinc/95/39/07/385953907.db2.gz RNBFGVXVLXZECF-KOLCDFICSA-N 1 0 224.348 1.822 10 0 BDAERO COC(=O)c1cc(C[NH2+][C@@H]2C[C@@H]2C)cn1C ZINC000336746702 385963672 /nfs/dbraw/zinc/96/36/72/385963672.db2.gz WTEGABFIEMPBLM-WCBMZHEXSA-N 1 0 222.288 1.310 10 0 BDAERO C[C@@H]1CN(C(=O)CC2CCC2)C[C@@H]1C[NH3+] ZINC000638892778 386011098 /nfs/dbraw/zinc/01/10/98/386011098.db2.gz XNPZVIGVYPWMLS-KOLCDFICSA-N 1 0 210.321 1.230 10 0 BDAERO C[C@@]1([C@H]2CCCCO2)[NH2+]CCCS1 ZINC000575563971 386053256 /nfs/dbraw/zinc/05/32/56/386053256.db2.gz XSEGRYFYYPQDNG-NXEZZACHSA-N 1 0 201.335 1.998 10 0 BDAERO C[NH2+][C@H](C(N)=O)c1c(C)cc(C)cc1C ZINC000037869869 386104960 /nfs/dbraw/zinc/10/49/60/386104960.db2.gz URJYRNNIQXLWHH-NSHDSACASA-N 1 0 206.289 1.358 10 0 BDAERO C[C@H]1C[C@@]([NH3+])(c2cncs2)CS1 ZINC000575573897 386166000 /nfs/dbraw/zinc/16/60/00/386166000.db2.gz ZTSMZZKUKJOGOW-XPUUQOCRSA-N 1 0 200.332 1.823 10 0 BDAERO C1C[C@H](S[C@@H]2CCCC[NH2+]C2)CO1 ZINC000575575262 386177395 /nfs/dbraw/zinc/17/73/95/386177395.db2.gz FBBHUJCWBUCOON-ZJUUUORDSA-N 1 0 201.335 1.651 10 0 BDAERO C[C@]1(O)CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000235724885 386186878 /nfs/dbraw/zinc/18/68/78/386186878.db2.gz OGSITMRJLPBPIR-JSGCOSHPSA-N 1 0 217.312 1.783 10 0 BDAERO Cc1cnn(CC[NH2+]C2CCC(O)CC2)c1 ZINC000235946369 386206837 /nfs/dbraw/zinc/20/68/37/386206837.db2.gz XDYCEHDJZDQHHE-UHFFFAOYSA-N 1 0 223.320 1.085 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2CCCSC2)cnn1C ZINC000288490700 386207880 /nfs/dbraw/zinc/20/78/80/386207880.db2.gz QWWKHWARUOZWSO-NSHDSACASA-N 1 0 239.388 1.961 10 0 BDAERO CN(CCOCC[NH3+])c1cnc2ccccc2n1 ZINC000310674812 386223232 /nfs/dbraw/zinc/22/32/32/386223232.db2.gz MGBRXDFUQLVSON-UHFFFAOYSA-N 1 0 246.314 1.041 10 0 BDAERO CO[C@H](C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)C1CC1 ZINC000400107023 386284917 /nfs/dbraw/zinc/28/49/17/386284917.db2.gz DCFYLIGIRZGTBE-XDQVBPFNSA-N 1 0 239.359 1.504 10 0 BDAERO COc1nccc(C(C)(C)[NH3+])c1Cl ZINC000575585868 386287404 /nfs/dbraw/zinc/28/74/04/386287404.db2.gz OCGYHMCFBNIANT-UHFFFAOYSA-N 1 0 200.669 1.937 10 0 BDAERO C[C@@H]([NH3+])c1nnc2ccc(-c3cccs3)nn21 ZINC000058021828 386291445 /nfs/dbraw/zinc/29/14/45/386291445.db2.gz URJANMKJJASHJN-SSDOTTSWSA-N 1 0 245.311 1.873 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1[C@@H]1CCSC1 ZINC000063166725 386330867 /nfs/dbraw/zinc/33/08/67/386330867.db2.gz CHEOXOMGKHTHHS-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO CC(C)[C@@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000336684257 386333926 /nfs/dbraw/zinc/33/39/26/386333926.db2.gz JMSYQXBOMBVMMJ-AXFHLTTASA-N 1 0 201.310 1.113 10 0 BDAERO Cc1ccccc1[C@@]1(O)C[N@@H+](C)C[C@H]1C ZINC000521400949 386450849 /nfs/dbraw/zinc/45/08/49/386450849.db2.gz DCXUMIQCJHKEAO-DGCLKSJQSA-N 1 0 205.301 1.764 10 0 BDAERO CCC(C)(C)CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335439640 386497150 /nfs/dbraw/zinc/49/71/50/386497150.db2.gz VSZUCVGRPSNPLE-VHSXEESVSA-N 1 0 212.337 1.761 10 0 BDAERO COC[C@]1(C(=O)N[C@@H](C)C2CC2)CCCC[NH2+]1 ZINC000637892744 386523703 /nfs/dbraw/zinc/52/37/03/386523703.db2.gz LXXDXJVRBNEQIG-GWCFXTLKSA-N 1 0 240.347 1.060 10 0 BDAERO C[NH+](C)[C@@H]1CCC[C@@](N)(c2ncc[nH]2)C1 ZINC000521401296 386455927 /nfs/dbraw/zinc/45/59/27/386455927.db2.gz JILWGYSCRUUVRA-KOLCDFICSA-N 1 0 208.309 1.068 10 0 BDAERO C[NH+](C)[C@H]1CCC[C@](N)(c2ncc[nH]2)C1 ZINC000521401295 386456025 /nfs/dbraw/zinc/45/60/25/386456025.db2.gz JILWGYSCRUUVRA-GXSJLCMTSA-N 1 0 208.309 1.068 10 0 BDAERO CCCCOCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399213877 386457444 /nfs/dbraw/zinc/45/74/44/386457444.db2.gz SIQWRDMBSZTWBA-VXGBXAGGSA-N 1 0 215.337 1.648 10 0 BDAERO CCCCOCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399213875 386458125 /nfs/dbraw/zinc/45/81/25/386458125.db2.gz SIQWRDMBSZTWBA-NWDGAFQWSA-N 1 0 215.337 1.648 10 0 BDAERO CC[C@H](C)[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000187680292 386575148 /nfs/dbraw/zinc/57/51/48/386575148.db2.gz RQJQBAGTFDZLRH-XQQFMLRXSA-N 1 0 228.380 1.562 10 0 BDAERO [NH3+][C@H]1CCO[C@@H]1c1nccn1-c1ccccc1 ZINC000238854718 386536833 /nfs/dbraw/zinc/53/68/33/386536833.db2.gz OWAHJAFDTMVXCV-RYUDHWBXSA-N 1 0 229.283 1.661 10 0 BDAERO C[N@H+](C1CC([NH3+])C1)C1CCSCC1 ZINC000307250844 386552926 /nfs/dbraw/zinc/55/29/26/386552926.db2.gz QAKMLDXSLQQORV-UHFFFAOYSA-N 1 0 200.351 1.304 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)C1CC2(CCC2)C1 ZINC000335465959 386553372 /nfs/dbraw/zinc/55/33/72/386553372.db2.gz XZUWLSPFOQMHCU-SNVBAGLBSA-N 1 0 222.332 1.292 10 0 BDAERO CC(C)[C@H](C(=O)N[C@H](C)C1CC1)[C@H](C)[NH3+] ZINC000399433924 386560171 /nfs/dbraw/zinc/56/01/71/386560171.db2.gz MJDMSRVCYSBGRH-NGZCFLSTSA-N 1 0 212.337 1.521 10 0 BDAERO COCc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000335499529 386625256 /nfs/dbraw/zinc/62/52/56/386625256.db2.gz IRVVGKMHIKBOHK-GXFFZTMASA-N 1 0 248.326 1.395 10 0 BDAERO COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CCO ZINC000336758169 386626765 /nfs/dbraw/zinc/62/67/65/386626765.db2.gz IEGXNSIUNZSVLJ-MNOVXSKESA-N 1 0 229.320 1.080 10 0 BDAERO [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000647906682 386639918 /nfs/dbraw/zinc/63/99/18/386639918.db2.gz JMWSLGKCPJTVEM-JFGNBEQYSA-N 1 0 246.310 1.364 10 0 BDAERO C[C@@]1([C@@H]2CCCC[NH2+]2)NCCCS1 ZINC000307427917 386650045 /nfs/dbraw/zinc/65/00/45/386650045.db2.gz SWNNUWFSAIOXKC-VHSXEESVSA-N 1 0 200.351 1.571 10 0 BDAERO CCSCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336759615 386667782 /nfs/dbraw/zinc/66/77/82/386667782.db2.gz KVAZOZJCFDZKRZ-VIFPVBQESA-N 1 0 230.377 1.386 10 0 BDAERO CCN(C(=O)C1CCC([NH3+])CC1)C1CCC1 ZINC000648088545 386680401 /nfs/dbraw/zinc/68/04/01/386680401.db2.gz PUVJGWIWNLFPOS-UHFFFAOYSA-N 1 0 224.348 1.905 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000645334063 386743533 /nfs/dbraw/zinc/74/35/33/386743533.db2.gz PXRRQVRKLYZKCP-SRVKXCTJSA-N 1 0 240.347 1.060 10 0 BDAERO CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]1O ZINC000637963481 386791122 /nfs/dbraw/zinc/79/11/22/386791122.db2.gz CJNHPEJVRYZYNQ-SDDRHHMPSA-N 1 0 242.363 1.027 10 0 BDAERO CC[C@H](COC)N[C@@H]1CCC[NH2+][C@H]1C ZINC000396540502 386772657 /nfs/dbraw/zinc/77/26/57/386772657.db2.gz AIYOKZYJQVZLJU-HBNTYKKESA-N 1 0 200.326 1.142 10 0 BDAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1nccs1 ZINC000396563360 386777279 /nfs/dbraw/zinc/77/72/79/386777279.db2.gz IYGKLNKKQZKPMN-UTLUCORTSA-N 1 0 225.361 1.934 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nccnc2C)C1 ZINC000408447614 386820527 /nfs/dbraw/zinc/82/05/27/386820527.db2.gz ZBDCZGNRNNWSDS-PWSUYJOCSA-N 1 0 248.330 1.056 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCOC(C)(C)C ZINC000395001933 386798698 /nfs/dbraw/zinc/79/86/98/386798698.db2.gz HNDRYQPYNSYWNC-WDEREUQCSA-N 1 0 215.337 1.647 10 0 BDAERO CC[N@H+](CCC(=O)OC)C[C@@H](O)C(C)(C)C ZINC000336669994 386806562 /nfs/dbraw/zinc/80/65/62/386806562.db2.gz XKHANWYGZYWIQK-SNVBAGLBSA-N 1 0 231.336 1.278 10 0 BDAERO C1C[C@@H](SC2=[NH+]CCCCN2)CO1 ZINC000575453343 386810313 /nfs/dbraw/zinc/81/03/13/386810313.db2.gz CZSHFTZZXPHYSZ-MRVPVSSYSA-N 1 0 200.307 1.248 10 0 BDAERO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395315435 386811539 /nfs/dbraw/zinc/81/15/39/386811539.db2.gz YGMVZLJLAYSEIC-YTWAJWBKSA-N 1 0 210.321 1.147 10 0 BDAERO Cc1cnc(N2CCC[C@@H](C)[C@@H]2C[NH3+])nc1C ZINC000395416733 386828258 /nfs/dbraw/zinc/82/82/58/386828258.db2.gz KLTKGEJDZPDBDT-SKDRFNHKSA-N 1 0 234.347 1.657 10 0 BDAERO Cn1cc([C@H](CNc2ccccn2)[NH+](C)C)cn1 ZINC000301293905 386831146 /nfs/dbraw/zinc/83/11/46/386831146.db2.gz QSGGJQFKDZIPCM-LBPRGKRZSA-N 1 0 245.330 1.530 10 0 BDAERO CC(C)COCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398708254 386958699 /nfs/dbraw/zinc/95/86/99/386958699.db2.gz NWWLRGSTTSVICC-IHRRRGAJSA-N 1 0 241.375 1.752 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC000398805843 386996518 /nfs/dbraw/zinc/99/65/18/386996518.db2.gz SWLOAYJFQDSMIJ-GARJFASQSA-N 1 0 238.356 1.736 10 0 BDAERO Cn1cc(CC[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cn1 ZINC000398822766 387001559 /nfs/dbraw/zinc/00/15/59/387001559.db2.gz ZSNVNCRZKBIDGH-BFHYXJOUSA-N 1 0 249.358 1.055 10 0 BDAERO [NH3+]CCNc1c(F)ccc(F)c1Cl ZINC000575461675 387032255 /nfs/dbraw/zinc/03/22/55/387032255.db2.gz WNMIONGQTYNUPL-UHFFFAOYSA-N 1 0 206.623 1.989 10 0 BDAERO O=C(c1ccsc1)[C@H]1C[NH2+]CCS1 ZINC000575459441 387036094 /nfs/dbraw/zinc/03/60/94/387036094.db2.gz JGGMDYUCEGIDPN-MRVPVSSYSA-N 1 0 213.327 1.636 10 0 BDAERO C/C=C/[C@H]([NH3+])c1nn(C)cc1Br ZINC000575460418 387037420 /nfs/dbraw/zinc/03/74/20/387037420.db2.gz NTVFMCCMCPPUNR-SDLBARTOSA-N 1 0 230.109 1.759 10 0 BDAERO C1C[C@H]2CC(OC3CCOCC3)C[C@@H]1[NH2+]2 ZINC000096034684 387015371 /nfs/dbraw/zinc/01/53/71/387015371.db2.gz LXMWLUWRYIWRGG-DHHPTOIESA-N 1 0 211.305 1.465 10 0 BDAERO C[NH2+][C@H]1CCCN(C2CCSCC2)C1 ZINC000053201877 387018722 /nfs/dbraw/zinc/01/87/22/387018722.db2.gz RDQWETJOYQUXHQ-JTQLQIEISA-N 1 0 214.378 1.566 10 0 BDAERO Oc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000334881764 387023990 /nfs/dbraw/zinc/02/39/90/387023990.db2.gz KKRBSENIMSOZBT-FUNVUKJBSA-N 1 0 232.327 1.765 10 0 BDAERO OC[C@@H]1[NH2+]CC[C@]12CCCSCC2 ZINC000575454644 387026167 /nfs/dbraw/zinc/02/61/67/387026167.db2.gz NUOQRWKLLQLKEP-UWVGGRQHSA-N 1 0 201.335 1.244 10 0 BDAERO C[C@@H]1SCC[C@]1([NH3+])c1cncs1 ZINC000575456141 387027939 /nfs/dbraw/zinc/02/79/39/387027939.db2.gz CXNZVJOXBCDVLT-POYBYMJQSA-N 1 0 200.332 1.823 10 0 BDAERO Br/C=C1\[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000575458702 387029775 /nfs/dbraw/zinc/02/97/75/387029775.db2.gz DNDYBEQBSMBDPB-CEXXPSJJSA-N 1 0 214.106 1.893 10 0 BDAERO NC(=[NH2+])SC[C@H]1Cc2ccccc2O1 ZINC000085538128 387070398 /nfs/dbraw/zinc/07/03/98/387070398.db2.gz TYMJXHNSCJJGMF-MRVPVSSYSA-N 1 0 208.286 1.617 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H](COC)C2CC2)C1 ZINC000246382374 387081654 /nfs/dbraw/zinc/08/16/54/387081654.db2.gz JXNFIFMYFWDWHU-QWHCGFSZSA-N 1 0 226.364 1.485 10 0 BDAERO CC(C)c1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)n[nH]1 ZINC000228343529 387082483 /nfs/dbraw/zinc/08/24/83/387082483.db2.gz GIYDVGSLPYDKRK-IUCAKERBSA-N 1 0 236.319 1.599 10 0 BDAERO Cn1cccc1C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186491041 387096691 /nfs/dbraw/zinc/09/66/91/387096691.db2.gz UYISOCLCCKDNAT-LLVKDONJSA-N 1 0 247.342 1.382 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336268220 387101933 /nfs/dbraw/zinc/10/19/33/387101933.db2.gz PNLMLLRGHTUORO-OLZOCXBDSA-N 1 0 248.374 1.648 10 0 BDAERO Cn1nc(Br)cc1CCC[NH3+] ZINC000575471594 387108749 /nfs/dbraw/zinc/10/87/49/387108749.db2.gz ZBHIJISUGPRWEL-UHFFFAOYSA-N 1 0 218.098 1.074 10 0 BDAERO FC1(F)CC[C@@H](C[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000335028351 387122792 /nfs/dbraw/zinc/12/27/92/387122792.db2.gz INZNMAXPSMBGHQ-BDAKNGLRSA-N 1 0 204.264 1.373 10 0 BDAERO [NH3+]CCCC[C@@H]([NH3+])c1ccccc1C(=O)[O-] ZINC000575439938 387125438 /nfs/dbraw/zinc/12/54/38/387125438.db2.gz OXHUSAFPNSXAKT-LLVKDONJSA-N 1 0 222.288 1.514 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000186890024 387150351 /nfs/dbraw/zinc/15/03/51/387150351.db2.gz XZDMDAIWPMJSBV-CQSZACIVSA-N 1 0 240.391 1.564 10 0 BDAERO CSCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000229284965 387150862 /nfs/dbraw/zinc/15/08/62/387150862.db2.gz CLIGKTNDLZFDNA-UHFFFAOYSA-N 1 0 236.340 1.634 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cccc(SC)c1 ZINC000238363009 387158104 /nfs/dbraw/zinc/15/81/04/387158104.db2.gz XZGFZYZEOTXDME-JTQLQIEISA-N 1 0 225.313 1.971 10 0 BDAERO O=C1NCCCC[C@H]1[N@@H+]1CCCC2(CC2)C1 ZINC000186996452 387158531 /nfs/dbraw/zinc/15/85/31/387158531.db2.gz TXLUCGMYBAXMHU-LLVKDONJSA-N 1 0 222.332 1.531 10 0 BDAERO C[C@@H](Nc1cnn(C)c1Br)[C@H](C)[NH3+] ZINC000575478331 387160423 /nfs/dbraw/zinc/16/04/23/387160423.db2.gz BKLRIZBWPVQSKZ-NTSWFWBYSA-N 1 0 247.140 1.330 10 0 BDAERO Nc1ccc(Br)c(C2=[NH+]CCN2)c1 ZINC000575478224 387160993 /nfs/dbraw/zinc/16/09/93/387160993.db2.gz LKQUNEHAYGBPFA-UHFFFAOYSA-N 1 0 240.104 1.381 10 0 BDAERO Nc1ccc(Br)c(C(=[NH2+])NO)c1 ZINC000575478219 387161271 /nfs/dbraw/zinc/16/12/71/387161271.db2.gz KIHQRNIMSVOHEI-UHFFFAOYSA-N 1 0 230.065 1.335 10 0 BDAERO Cc1cnn(C)c1[C@@H]1C[NH2+]CC12CCC2 ZINC000536951773 387163198 /nfs/dbraw/zinc/16/31/98/387163198.db2.gz WJMQMDJOZXNADW-JTQLQIEISA-N 1 0 205.305 1.586 10 0 BDAERO CC(C)[C@@]1(C[NH3+])COc2ccccc2O1 ZINC000536950928 387163527 /nfs/dbraw/zinc/16/35/27/387163527.db2.gz MEOWVYJNBGATKK-GFCCVEGCSA-N 1 0 207.273 1.811 10 0 BDAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1cc(C)n(C)n1 ZINC000536951322 387163748 /nfs/dbraw/zinc/16/37/48/387163748.db2.gz QCUBFOLSGJXYHL-MNOVXSKESA-N 1 0 207.321 1.832 10 0 BDAERO C[C@@H]1CC[C@H]([NH3+])CN1[C@@H]1CCSC1 ZINC000575480273 387169561 /nfs/dbraw/zinc/16/95/61/387169561.db2.gz HSFOMFYBYVWCCI-KXUCPTDWSA-N 1 0 200.351 1.304 10 0 BDAERO FC(F)(F)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000536957098 387170242 /nfs/dbraw/zinc/17/02/42/387170242.db2.gz CMWVNSBWUOQNSF-SSDOTTSWSA-N 1 0 208.183 1.447 10 0 BDAERO FC(F)(F)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000536957100 387170345 /nfs/dbraw/zinc/17/03/45/387170345.db2.gz CMWVNSBWUOQNSF-ZETCQYMHSA-N 1 0 208.183 1.447 10 0 BDAERO CCC[C@@H]1COC[C@]12[NH2+][C@H](C)CS2 ZINC000575481141 387171732 /nfs/dbraw/zinc/17/17/32/387171732.db2.gz MYTJESZLEZOODU-OPRDCNLKSA-N 1 0 201.335 1.854 10 0 BDAERO CON(C)C(=O)c1cccc([C@H]2C[NH2+][C@@H](C)C2)c1 ZINC000536960354 387172486 /nfs/dbraw/zinc/17/24/86/387172486.db2.gz ZYKQJHLXUDIJRM-GXFFZTMASA-N 1 0 248.326 1.785 10 0 BDAERO C[C@@H]1COC[C@@H]1NC1=[NH+]CCCS1 ZINC000575481888 387178051 /nfs/dbraw/zinc/17/80/51/387178051.db2.gz AVMHNXCLMSNICX-SFYZADRCSA-N 1 0 200.307 1.104 10 0 BDAERO COCCN1CC[N@@H+](C2CCCC2)C[C@@H]1C ZINC000120090819 387179289 /nfs/dbraw/zinc/17/92/89/387179289.db2.gz KUQGTXLBKNBOSI-LBPRGKRZSA-N 1 0 226.364 1.582 10 0 BDAERO C/C=C/C[C@H](CO)NC(=O)[C@H](CCC)[NH+](C)C ZINC000187214834 387180024 /nfs/dbraw/zinc/18/00/24/387180024.db2.gz UMJXDZNIMHRAJF-BAEOLTKYSA-N 1 0 242.363 1.160 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1C[C@@H](C)[C@@H]1C ZINC000575587925 387181403 /nfs/dbraw/zinc/18/14/03/387181403.db2.gz ABTTVYQBNAVCAD-XFWSIPNHSA-N 1 0 200.351 1.030 10 0 BDAERO CCOC(=O)C[C@H]([NH3+])c1cc(O)cc(O)c1 ZINC000575440434 387133304 /nfs/dbraw/zinc/13/33/04/387133304.db2.gz VEIGDIQTXUZAKL-JTQLQIEISA-N 1 0 225.244 1.051 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCOC2)CC(C)(C)C1 ZINC000300408621 387205401 /nfs/dbraw/zinc/20/54/01/387205401.db2.gz DMUKWVQRQARHQV-MBNYWOFBSA-N 1 0 241.375 1.942 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc(F)c2)C1 ZINC000284658707 387207317 /nfs/dbraw/zinc/20/73/17/387207317.db2.gz VYZCFCZHZBIJSJ-QWHCGFSZSA-N 1 0 239.290 1.407 10 0 BDAERO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000161579647 387247771 /nfs/dbraw/zinc/24/77/71/387247771.db2.gz HORGLCZSNYSCTE-JHJVBQTASA-N 1 0 226.364 1.485 10 0 BDAERO Cn1cc(Br)c([C@H]([NH3+])C2CCC2)n1 ZINC000575484411 387199622 /nfs/dbraw/zinc/19/96/22/387199622.db2.gz UVFWSOZWWWSEOK-MRVPVSSYSA-N 1 0 244.136 1.983 10 0 BDAERO C[C@H]1COC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000575485049 387254203 /nfs/dbraw/zinc/25/42/03/387254203.db2.gz YAUKNFZGLUTZAP-FZMZJTMJSA-N 1 0 245.326 1.432 10 0 BDAERO C[C@H]1CN(CC2SCCS2)CC[NH2+]1 ZINC000575487933 387256409 /nfs/dbraw/zinc/25/64/09/387256409.db2.gz VAFOCGPAQHAUEG-QMMMGPOBSA-N 1 0 218.391 1.086 10 0 BDAERO CCCCCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188193188 387256985 /nfs/dbraw/zinc/25/69/85/387256985.db2.gz MQNJVOBKCCFTEW-VHSXEESVSA-N 1 0 216.300 1.383 10 0 BDAERO 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C[C@@H]1CS[C@]2(CC[NH2+]C(C)(C)C2)N1 ZINC000575512891 387385740 /nfs/dbraw/zinc/38/57/40/387385740.db2.gz UUVSYVBUBWCCJH-SCZZXKLOSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648488629 387390178 /nfs/dbraw/zinc/39/01/78/387390178.db2.gz CQRDVVPHYJZYLL-OSUNSFLBSA-N 1 0 213.321 1.709 10 0 BDAERO CC[C@@H]1C[C@@H](NC2=[NH+]CCS2)CO1 ZINC000575508973 387392307 /nfs/dbraw/zinc/39/23/07/387392307.db2.gz LBZPCWIUBBECCU-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO Cc1ccc([C@@H]2C[C@H](O)[C@@](C)(O)C[N@H+]2C)c(C)c1 ZINC000033895858 387399648 /nfs/dbraw/zinc/39/96/48/387399648.db2.gz BXHUHAQDRAWEPJ-KKUMJFAQSA-N 1 0 249.354 1.792 10 0 BDAERO CC(C)[C@H](CCO)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300415843 387520484 /nfs/dbraw/zinc/52/04/84/387520484.db2.gz YJCJZPZDRXXDAY-YVECIDJPSA-N 1 0 241.375 1.797 10 0 BDAERO C[C@]1(C[C@@H]2CCCO2)[NH2+]CCCS1 ZINC000575530045 387538525 /nfs/dbraw/zinc/53/85/25/387538525.db2.gz AZMALKIIJFTJHZ-UWVGGRQHSA-N 1 0 201.335 1.998 10 0 BDAERO CS(C)(=O)=NC[C@H]1CC[C@H]([NH3+])CC1 ZINC000575541320 387587625 /nfs/dbraw/zinc/58/76/25/387587625.db2.gz GADMVOGSCLCADW-KYZUINATSA-N 1 0 204.339 1.232 10 0 BDAERO C[C@H]1SCCC[C@H]1[NH2+]C1CSC1 ZINC000575545083 387628897 /nfs/dbraw/zinc/62/88/97/387628897.db2.gz IBOIQEIMHQHDNR-VXNVDRBHSA-N 1 0 203.376 1.976 10 0 BDAERO COC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124617881 387624974 /nfs/dbraw/zinc/62/49/74/387624974.db2.gz CMRBQFGCKFIYAY-SRVKXCTJSA-N 1 0 242.363 1.210 10 0 BDAERO CC[C@H]1CN(C2CSC2)CCC[NH2+]1 ZINC000575548792 387646242 /nfs/dbraw/zinc/64/62/42/387646242.db2.gz HFFGDBQMFZTAFV-VIFPVBQESA-N 1 0 200.351 1.176 10 0 BDAERO [NH3+][C@@H]1CSC[C@@H]1C[C@H]1CCCOC1 ZINC000575559924 387700892 /nfs/dbraw/zinc/70/08/92/387700892.db2.gz QURPQWNUGDRVLH-KXUCPTDWSA-N 1 0 201.335 1.493 10 0 BDAERO [NH3+][C@@H]1CSC[C@@H]1C[C@@H]1CCCOC1 ZINC000575559928 387701713 /nfs/dbraw/zinc/70/17/13/387701713.db2.gz QURPQWNUGDRVLH-LPEHRKFASA-N 1 0 201.335 1.493 10 0 BDAERO Brc1cnccc1CC1C[NH2+]C1 ZINC000575562942 387703802 /nfs/dbraw/zinc/70/38/02/387703802.db2.gz GTJXHVHOQMNCJZ-UHFFFAOYSA-N 1 0 227.105 1.606 10 0 BDAERO CN(CC(F)(F)F)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000127485731 387714753 /nfs/dbraw/zinc/71/47/53/387714753.db2.gz VCGFQJIVPICYJE-SECBINFHSA-N 1 0 238.253 1.539 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000440946706 387716410 /nfs/dbraw/zinc/71/64/10/387716410.db2.gz AELSFAHDDKMJQS-SDDRHHMPSA-N 1 0 240.347 1.202 10 0 BDAERO C[NH2+][C@H]1CCN(C2CSC2)[C@@H](C)C1 ZINC000575565157 387725876 /nfs/dbraw/zinc/72/58/76/387725876.db2.gz DSRMDHFTRCFQGL-IUCAKERBSA-N 1 0 200.351 1.174 10 0 BDAERO CC(C)c1cc(NC(=O)[C@@H]2CC[NH2+]C2)n[nH]1 ZINC000129149207 387764612 /nfs/dbraw/zinc/76/46/12/387764612.db2.gz YMSJTFOWWYZDBV-MRVPVSSYSA-N 1 0 222.292 1.081 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCCNC2=O)c(C)c1 ZINC000050393803 387794584 /nfs/dbraw/zinc/79/45/84/387794584.db2.gz CGPKIIJKGXKPAT-CYBMUJFWSA-N 1 0 232.327 1.672 10 0 BDAERO FC(F)CN1CCC[N@@H+](C2CCC2)CC1 ZINC000194747795 387893005 /nfs/dbraw/zinc/89/30/05/387893005.db2.gz UUDLBPYHXMOFHC-UHFFFAOYSA-N 1 0 218.291 1.812 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000444615578 387893810 /nfs/dbraw/zinc/89/38/10/387893810.db2.gz GXCGMXUJPNUOTP-RYUDHWBXSA-N 1 0 215.337 1.504 10 0 BDAERO O=C(C1CC1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000194834131 387897889 /nfs/dbraw/zinc/89/78/89/387897889.db2.gz QBAPYCRDBJOEGC-UHFFFAOYSA-N 1 0 222.332 1.483 10 0 BDAERO CCOC1CC(CCN[C@H]2CC[NH2+]C2)C1 ZINC000423074801 387875323 /nfs/dbraw/zinc/87/53/23/387875323.db2.gz VIZAVTWUZBCMKL-CXQJBGSLSA-N 1 0 212.337 1.143 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000423104066 387889132 /nfs/dbraw/zinc/88/91/32/387889132.db2.gz PTFIFGWDQQDUFQ-WRWGMCAJSA-N 1 0 212.337 1.142 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N(CC)CCC(F)(F)F ZINC000645815094 387993575 /nfs/dbraw/zinc/99/35/75/387993575.db2.gz ZWCYNMRSIFQDMI-QMMMGPOBSA-N 1 0 240.269 1.915 10 0 BDAERO COCCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000066148239 388022359 /nfs/dbraw/zinc/02/23/59/388022359.db2.gz LQFNFQYSODGGQR-UHFFFAOYSA-N 1 0 240.347 1.110 10 0 BDAERO CC(C)([NH3+])CC(=O)N[C@H]1CCOc2ccccc21 ZINC000084167561 388071708 /nfs/dbraw/zinc/07/17/08/388071708.db2.gz VDSXGMQWMKTKJD-NSHDSACASA-N 1 0 248.326 1.754 10 0 BDAERO CC(C)Oc1cc(NC[C@H](C)C[NH3+])ncn1 ZINC000085483624 388089611 /nfs/dbraw/zinc/08/96/11/388089611.db2.gz AOGYYFHJTGYJQC-SECBINFHSA-N 1 0 224.308 1.271 10 0 BDAERO CN(C)C[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000071509216 388096133 /nfs/dbraw/zinc/09/61/33/388096133.db2.gz GQGRNCXDBVLHAS-ZCFIWIBFSA-N 1 0 204.726 1.963 10 0 BDAERO O=C1CC[NH2+]C[C@@H]1Cc1ccc(F)cc1 ZINC000071510266 388096496 /nfs/dbraw/zinc/09/64/96/388096496.db2.gz QIDDAWDOCZVXKI-JTQLQIEISA-N 1 0 207.248 1.547 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@H]2[NH2+]CC2(C)C)o1 ZINC000646297349 388177972 /nfs/dbraw/zinc/17/79/72/388177972.db2.gz BMUUDJIHFKBMBC-RKDXNWHRSA-N 1 0 237.303 1.158 10 0 BDAERO C[C@H]1CC[N@H+](C2CCCC2)[C@@H](C(N)=O)C1 ZINC000249565367 388130606 /nfs/dbraw/zinc/13/06/06/388130606.db2.gz MWMBAXSJERXZFD-GXSJLCMTSA-N 1 0 210.321 1.515 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000162232555 388132099 /nfs/dbraw/zinc/13/20/99/388132099.db2.gz ABFPKXIHALUXML-YUMQZZPRSA-N 1 0 229.242 1.002 10 0 BDAERO CC[C@@](C)(C[N@@H+]1CCN2CCCC[C@@H]2C1)OC ZINC000323165950 388253483 /nfs/dbraw/zinc/25/34/83/388253483.db2.gz UNNQJHIJCWJHCD-KGLIPLIRSA-N 1 0 240.391 1.972 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCS1 ZINC000087668724 256529396 /nfs/dbraw/zinc/52/93/96/256529396.db2.gz SEUVUNPWHQJHEG-AEJSXWLSSA-N 1 0 228.361 1.126 10 0 BDAERO CN(Cc1ccccc1Br)C(N)=[NH2+] ZINC000042237955 388275213 /nfs/dbraw/zinc/27/52/13/388275213.db2.gz DSANOQQXCGQZGD-UHFFFAOYSA-N 1 0 242.120 1.774 10 0 BDAERO CCOC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000233801368 388349757 /nfs/dbraw/zinc/34/97/57/388349757.db2.gz KOGYTUQFKAYCLL-IJLUTSLNSA-N 1 0 242.363 1.019 10 0 BDAERO CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234052124 388353258 /nfs/dbraw/zinc/35/32/58/388353258.db2.gz JJWKBVLDHZEZMF-IRCOFANPSA-N 1 0 226.364 1.783 10 0 BDAERO C[C@@H]1CCS[C@H]([C@H]2CCCCO2)[NH2+]1 ZINC000575523361 388358970 /nfs/dbraw/zinc/35/89/70/388358970.db2.gz QLNIZYNCWZWNMX-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C/c2ccccc2)C[C@@H]1[NH3+] ZINC000235344032 388367804 /nfs/dbraw/zinc/36/78/04/388367804.db2.gz CXQWJYXTNCEANL-HOVLTTNMSA-N 1 0 230.311 1.505 10 0 BDAERO Cc1cc(Br)cn(CCC[NH3+])c1=O ZINC000057832344 388368200 /nfs/dbraw/zinc/36/82/00/388368200.db2.gz WXGCXENWUUQCQW-UHFFFAOYSA-N 1 0 245.120 1.268 10 0 BDAERO CC(C)=C(F)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000155259980 388369720 /nfs/dbraw/zinc/36/97/20/388369720.db2.gz HUHZXJULJLUYCN-MRVPVSSYSA-N 1 0 200.257 1.070 10 0 BDAERO CCC1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000193551010 388371713 /nfs/dbraw/zinc/37/17/13/388371713.db2.gz CFXLSULVMUWWME-UHFFFAOYSA-N 1 0 212.337 1.633 10 0 BDAERO Cc1sccc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000293485683 388389842 /nfs/dbraw/zinc/38/98/42/388389842.db2.gz GFXDTZXXHHMJAG-LBPRGKRZSA-N 1 0 240.372 1.477 10 0 BDAERO CN(CCC[NH3+])c1ccc(OC(F)F)cn1 ZINC000327536455 388440765 /nfs/dbraw/zinc/44/07/65/388440765.db2.gz VYRHPWZPBQWFRP-UHFFFAOYSA-N 1 0 231.246 1.468 10 0 BDAERO Cc1nn(C)c(C)c1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000335035760 388448106 /nfs/dbraw/zinc/44/81/06/388448106.db2.gz YSIZEWIIUXQQRK-KCJUWKMLSA-N 1 0 222.336 1.447 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1CCC1 ZINC000335593311 388451741 /nfs/dbraw/zinc/45/17/41/388451741.db2.gz BPADZMVSXAUVMQ-ONGXEEELSA-N 1 0 210.321 1.291 10 0 BDAERO CN(c1nc2ccccc2o1)C1CC([NH3+])C1 ZINC000335661377 388454099 /nfs/dbraw/zinc/45/40/99/388454099.db2.gz PWTPCUIGTMQFOR-UHFFFAOYSA-N 1 0 217.272 1.754 10 0 BDAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000309710945 388461971 /nfs/dbraw/zinc/46/19/71/388461971.db2.gz QPZFJDIQMZCRLD-VWYCJHECSA-N 1 0 226.320 1.653 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccn1 ZINC000134401239 388476071 /nfs/dbraw/zinc/47/60/71/388476071.db2.gz RBNORGSVQKKNCT-CKYFFXLPSA-N 1 0 206.289 1.910 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000134527891 388477126 /nfs/dbraw/zinc/47/71/26/388477126.db2.gz CGDJAIOWGNSTFT-LDYMZIIASA-N 1 0 211.261 1.039 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2oc(C)nc2C)C1 ZINC000328221492 388407183 /nfs/dbraw/zinc/40/71/83/388407183.db2.gz YOBVJYBJXPIFFJ-LLVKDONJSA-N 1 0 223.320 1.475 10 0 BDAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncnc2c1CCC2 ZINC000165722785 388410119 /nfs/dbraw/zinc/41/01/19/388410119.db2.gz NLHQBMFSNSRKCQ-BDAKNGLRSA-N 1 0 220.320 1.503 10 0 BDAERO COc1ccnc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000165729822 388410747 /nfs/dbraw/zinc/41/07/47/388410747.db2.gz PWISSTVKKUNCQJ-SFYZADRCSA-N 1 0 210.281 1.023 10 0 BDAERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc(C2CC2)ns1 ZINC000165762360 388411488 /nfs/dbraw/zinc/41/14/88/388411488.db2.gz SOQCVIDYWRZOSV-RNFRBKRXSA-N 1 0 226.349 1.953 10 0 BDAERO C[C@H](C(=O)Nc1nc[nH]n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245201380 388413710 /nfs/dbraw/zinc/41/37/10/388413710.db2.gz IDWDOAXARMFVSU-IWSPIJDZSA-N 1 0 237.307 1.005 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCOc1ccccc1 ZINC000296110352 388416722 /nfs/dbraw/zinc/41/67/22/388416722.db2.gz IHCSDDYBFJQFAS-JSGCOSHPSA-N 1 0 235.327 1.911 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000296218291 388418878 /nfs/dbraw/zinc/41/88/78/388418878.db2.gz MRRJAXHNBSGICP-KWCYVHTRSA-N 1 0 235.327 1.565 10 0 BDAERO [NH3+]CC[S@](=O)c1ccccc1Cl ZINC000040954698 388430040 /nfs/dbraw/zinc/43/00/40/388430040.db2.gz DWZYEGKNKZGLMC-GFCCVEGCSA-N 1 0 203.694 1.406 10 0 BDAERO [NH3+]CC[S@@](=O)c1ccc2c(c1)CCC2 ZINC000040954841 388430068 /nfs/dbraw/zinc/43/00/68/388430068.db2.gz ICQBABKQQCSCFV-AWEZNQCLSA-N 1 0 209.314 1.242 10 0 BDAERO C[NH2+][C@H]1CC[S@](=O)c2ccc(C)cc21 ZINC000040974988 388430120 /nfs/dbraw/zinc/43/01/20/388430120.db2.gz TULKRGWUEZOQTA-IINYFYTJSA-N 1 0 209.314 1.767 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1=CCCOC1 ZINC000245797933 388432361 /nfs/dbraw/zinc/43/23/61/388432361.db2.gz XGUVIXMGNXMRRW-OCCSQVGLSA-N 1 0 236.359 1.502 10 0 BDAERO [NH3+]C[C@@H](O)Cc1ccc(Cl)cc1Cl ZINC000041233696 388433829 /nfs/dbraw/zinc/43/38/29/388433829.db2.gz HSNXWSRFIHMEMJ-QMMMGPOBSA-N 1 0 220.099 1.856 10 0 BDAERO Cc1ccc([C@H](O)C[NH+]2CCC(O)CC2)c(C)c1 ZINC000070459832 388436694 /nfs/dbraw/zinc/43/66/94/388436694.db2.gz YRVBYFSNJLWHNF-OAHLLOKOSA-N 1 0 249.354 1.794 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000298434975 388438578 /nfs/dbraw/zinc/43/85/78/388438578.db2.gz QHGSEMUHHYROKW-VHDGCEQUSA-N 1 0 249.354 1.955 10 0 BDAERO CC(C)n1nccc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000354330350 388543395 /nfs/dbraw/zinc/54/33/95/388543395.db2.gz OCADEGTYTUGDQJ-LBPRGKRZSA-N 1 0 239.363 1.961 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000344711555 388509309 /nfs/dbraw/zinc/50/93/09/388509309.db2.gz LGHCTJJSFRHYSG-YNEHKIRRSA-N 1 0 229.364 1.750 10 0 BDAERO CCN1C[C@H]([NH2+]Cc2conc2C)[C@@H](C)C1 ZINC000378851040 388522947 /nfs/dbraw/zinc/52/29/47/388522947.db2.gz FMVYJYVXCYWJSW-CABZTGNLSA-N 1 0 223.320 1.413 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CC2CC(C)(C)C2)C1 ZINC000528498216 388534910 /nfs/dbraw/zinc/53/49/10/388534910.db2.gz BMBPAOJOVXBJNA-RYUDHWBXSA-N 1 0 227.348 1.504 10 0 BDAERO Cc1nccnc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000517722176 388587485 /nfs/dbraw/zinc/58/74/85/388587485.db2.gz QIZNFPUTYHDLGP-ZDUSSCGKSA-N 1 0 232.331 1.365 10 0 BDAERO [NH3+]Cc1cnc(N2CCCSCC2)s1 ZINC000054898647 388595266 /nfs/dbraw/zinc/59/52/66/388595266.db2.gz GRWLOACZNJGDAL-UHFFFAOYSA-N 1 0 229.374 1.545 10 0 BDAERO C[NH2+][C@H](c1cccs1)[C@@H]1COCCO1 ZINC000055299449 388598089 /nfs/dbraw/zinc/59/80/89/388598089.db2.gz FNPIRDXMXHBSMC-WPRPVWTQSA-N 1 0 213.302 1.424 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000379291034 388605768 /nfs/dbraw/zinc/60/57/68/388605768.db2.gz JWVUDTRDXLWWSK-RWMBFGLXSA-N 1 0 226.364 1.628 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)[C@H]1CCCO1 ZINC000367616126 388566618 /nfs/dbraw/zinc/56/66/18/388566618.db2.gz LAPXJIXFTSCDKD-XHVZSJERSA-N 1 0 235.331 1.944 10 0 BDAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000528760056 388568051 /nfs/dbraw/zinc/56/80/51/388568051.db2.gz QSQXGHPSGJMFJH-UFFGRJIKSA-N 1 0 213.321 1.301 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOC ZINC000245429910 388578408 /nfs/dbraw/zinc/57/84/08/388578408.db2.gz NIBUFOAYJZKPOC-RYUDHWBXSA-N 1 0 212.337 1.191 10 0 BDAERO COCC[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000246238741 388625770 /nfs/dbraw/zinc/62/57/70/388625770.db2.gz NSZDJLNJJSLDKS-FRRDWIJNSA-N 1 0 228.380 1.730 10 0 BDAERO C[C@@H]1COC[C@H](C)N1CCOCC(F)F ZINC000189377043 388632511 /nfs/dbraw/zinc/63/25/11/388632511.db2.gz OGCMQOUDSMXISP-DTORHVGOSA-N 1 0 223.263 1.377 10 0 BDAERO CC1(C)CC(C[N@@H+]2CC[C@@H]3OCCN[C@@H]3C2)C1 ZINC000530224070 388634251 /nfs/dbraw/zinc/63/42/51/388634251.db2.gz KVEXDCSCCCXDIW-OLZOCXBDSA-N 1 0 238.375 1.485 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OCC1CC1 ZINC000189685261 388641297 /nfs/dbraw/zinc/64/12/97/388641297.db2.gz HOCIFJJGMHSBLF-GFCCVEGCSA-N 1 0 240.347 1.949 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(C)cn2)C1 ZINC000127004118 388657043 /nfs/dbraw/zinc/65/70/43/388657043.db2.gz MJWMHDHUSOQSFB-CQSZACIVSA-N 1 0 233.359 1.964 10 0 BDAERO CC/C=C/CC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248606561 388685909 /nfs/dbraw/zinc/68/59/09/388685909.db2.gz FZXNAOSKDXIOCD-BEVHLOIGSA-N 1 0 240.391 1.730 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC000126431332 388696362 /nfs/dbraw/zinc/69/63/62/388696362.db2.gz KKNMMBAQIYLYHM-VXGBXAGGSA-N 1 0 238.375 1.975 10 0 BDAERO CCC[C@@H](C)[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000249406142 388721018 /nfs/dbraw/zinc/72/10/18/388721018.db2.gz WRYALAWPZHAORT-OLZOCXBDSA-N 1 0 228.380 1.828 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)C ZINC000127554832 388726476 /nfs/dbraw/zinc/72/64/76/388726476.db2.gz HACMGQCVYLMBQP-LLVKDONJSA-N 1 0 228.336 1.948 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000227837487 388759783 /nfs/dbraw/zinc/75/97/83/388759783.db2.gz UEUUCWPAJGBMAU-RAIGVLPGSA-N 1 0 227.348 1.695 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000129237944 388828159 /nfs/dbraw/zinc/82/81/59/388828159.db2.gz PMKQIICIJOSOSK-DCAQKATOSA-N 1 0 201.310 1.162 10 0 BDAERO C[C@@H]1CSC[C@@]1([NH3+])c1cscn1 ZINC000575463864 388831667 /nfs/dbraw/zinc/83/16/67/388831667.db2.gz GNGMSKXXKDEZIT-SVRRBLITSA-N 1 0 200.332 1.680 10 0 BDAERO [NH3+][C@@H]1COC[C@@H]1c1ccsc1Cl ZINC000575464939 388832335 /nfs/dbraw/zinc/83/23/35/388832335.db2.gz MIZKPAJXOCXQLH-RNFRBKRXSA-N 1 0 203.694 1.843 10 0 BDAERO C/C(=C\Cl)CN1C[C@H]([NH3+])CC[C@H]1C ZINC000575484537 388868489 /nfs/dbraw/zinc/86/84/89/388868489.db2.gz YQUTWMCKWNAYNY-STFJZOTBSA-N 1 0 202.729 1.941 10 0 BDAERO COc1c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(C)nn1C ZINC000093661099 388846712 /nfs/dbraw/zinc/84/67/12/388846712.db2.gz KXLSBUVDIWKPDE-TXEJJXNPSA-N 1 0 249.358 1.825 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1C(=O)NCc1ccccc1 ZINC000575488950 388889002 /nfs/dbraw/zinc/88/90/02/388889002.db2.gz UESLLHJCQDOHMG-YPMHNXCESA-N 1 0 232.327 1.548 10 0 BDAERO Cc1ncc([C@@]2(F)CCC[NH2+]C2)s1 ZINC000575490473 388911179 /nfs/dbraw/zinc/91/11/79/388911179.db2.gz FXABCNGRLUERQU-SECBINFHSA-N 1 0 200.282 2.000 10 0 BDAERO Cc1cnccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000153264904 388956837 /nfs/dbraw/zinc/95/68/37/388956837.db2.gz KGDXTNBHMACYCW-ONGXEEELSA-N 1 0 220.272 1.896 10 0 BDAERO O[C@@H](C1CCCC1)[C@@H]1CSCC[NH2+]1 ZINC000575505826 388992099 /nfs/dbraw/zinc/99/20/99/388992099.db2.gz UYAUQGAWYHRFML-UWVGGRQHSA-N 1 0 201.335 1.243 10 0 BDAERO C[C@@H]1CN[C@]2(CC[NH2+][C@@H](C)C2)SC1 ZINC000575511372 389009357 /nfs/dbraw/zinc/00/93/57/389009357.db2.gz DHFSNLWNWWSTCG-KXUCPTDWSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@@H]1C[C@](O)(C(F)(F)Br)CC[NH2+]1 ZINC000575512329 389011383 /nfs/dbraw/zinc/01/13/83/389011383.db2.gz NGHBWHGZMCPQAS-RITPCOANSA-N 1 0 244.079 1.477 10 0 BDAERO [NH3+]CC1CCN(c2cccnc2Cl)CC1 ZINC000045949478 132298529 /nfs/dbraw/zinc/29/85/29/132298529.db2.gz YVCIIENZSKCJHF-UHFFFAOYSA-N 1 0 225.723 1.910 10 0 BDAERO C[C@H]([NH3+])c1ccccc1N1CCC(O)CC1 ZINC000019872577 132328604 /nfs/dbraw/zinc/32/86/04/132328604.db2.gz HXEFFZQTARDFGX-JTQLQIEISA-N 1 0 220.316 1.667 10 0 BDAERO C[C@@H](CC[NH3+])N1CC(=O)Nc2ccccc21 ZINC000041042527 132349296 /nfs/dbraw/zinc/34/92/96/132349296.db2.gz YUQTWUQRCSKYDP-VIFPVBQESA-N 1 0 219.288 1.182 10 0 BDAERO C[C@@H]1CCCCN1c1ccnc(C[NH3+])c1 ZINC000051396143 132360017 /nfs/dbraw/zinc/36/00/17/132360017.db2.gz YXXRNGCSOVKQTC-SNVBAGLBSA-N 1 0 205.305 1.919 10 0 BDAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1cccnn1 ZINC000053704672 132363059 /nfs/dbraw/zinc/36/30/59/132363059.db2.gz UOPIVEYITZSYSM-UWVGGRQHSA-N 1 0 206.293 1.040 10 0 BDAERO CSCCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401964705 533565921 /nfs/dbraw/zinc/56/59/21/533565921.db2.gz SBXMSHFZCXETFQ-NXEZZACHSA-N 1 0 203.351 1.442 10 0 BDAERO Fc1cnc(N2CC[N@@H+]3CCCC[C@H]3C2)nc1 ZINC000269446761 132194564 /nfs/dbraw/zinc/19/45/64/132194564.db2.gz COPPQNIAROGWDK-NSHDSACASA-N 1 0 236.294 1.290 10 0 BDAERO CCc1cc(N2CCC[C@H](C)[C@H]2C[NH3+])nc(C)n1 ZINC000250505930 132231618 /nfs/dbraw/zinc/23/16/18/132231618.db2.gz IUGBDBBHGYPWPW-GXFFZTMASA-N 1 0 248.374 1.911 10 0 BDAERO C[C@H]1CN(c2ccnc3cccnc32)CC[NH2+]1 ZINC000341015983 132297631 /nfs/dbraw/zinc/29/76/31/132297631.db2.gz NIDMGSRJJBGXNN-JTQLQIEISA-N 1 0 228.299 1.428 10 0 BDAERO CCCc1cc(NN)[nH+]c(N2CCCCC2)n1 ZINC000051152725 132300389 /nfs/dbraw/zinc/30/03/89/132300389.db2.gz RIYBTTVAWLYPAR-UHFFFAOYSA-N 1 0 235.335 1.705 10 0 BDAERO CN1C[C@](C)(C2=[NH+]CCN2)Oc2ccccc21 ZINC000013518896 132322061 /nfs/dbraw/zinc/32/20/61/132322061.db2.gz WBVNAGISCJISQM-CYBMUJFWSA-N 1 0 231.299 1.276 10 0 BDAERO COc1cc2ccoc2c(N2CC[NH2+]CC2)c1 ZINC000013741477 132322290 /nfs/dbraw/zinc/32/22/90/132322290.db2.gz STVATDLRSSVDFZ-UHFFFAOYSA-N 1 0 232.283 1.851 10 0 BDAERO C[NH+]1CCN(c2cccc3c2OCCO3)CC1 ZINC000013738314 132322479 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MOIJUAISXSBRAI-SECBINFHSA-N 1 0 204.273 1.313 10 0 BDAERO c1cc2c(c(N3CC[NH2+]CC3)c1)OCCCO2 ZINC000026522478 132333558 /nfs/dbraw/zinc/33/35/58/132333558.db2.gz RKUNMQZMSRXTAU-UHFFFAOYSA-N 1 0 234.299 1.258 10 0 BDAERO c1ccc2nc(N3CC[NH2+]CC3)ncc2c1 ZINC000033946382 132336600 /nfs/dbraw/zinc/33/66/00/132336600.db2.gz NRQJIAVOKMKUOR-UHFFFAOYSA-N 1 0 214.272 1.039 10 0 BDAERO C[C@H]1CN(c2ccc(C(N)=[NH2+])cc2)C[C@H](C)O1 ZINC000035240322 132337849 /nfs/dbraw/zinc/33/78/49/132337849.db2.gz KGDMHXWCZCZMIC-UWVGGRQHSA-N 1 0 233.315 1.584 10 0 BDAERO CCCC[NH+]1CCN(c2ncccc2N)CC1 ZINC000035367994 132338230 /nfs/dbraw/zinc/33/82/30/132338230.db2.gz DHIPGKYSAYBLHK-UHFFFAOYSA-N 1 0 234.347 1.586 10 0 BDAERO C[C@H](O)c1c(F)cccc1N1CC[NH+](C)CC1 ZINC000035631094 132338529 /nfs/dbraw/zinc/33/85/29/132338529.db2.gz JJZHBNKBYRDLHK-JTQLQIEISA-N 1 0 238.306 1.631 10 0 BDAERO C[NH+](C)C1CCN(c2ccc(N)cn2)CC1 ZINC000036191131 132340640 /nfs/dbraw/zinc/34/06/40/132340640.db2.gz QGKYCNGOJVIHDR-UHFFFAOYSA-N 1 0 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/nfs/dbraw/zinc/93/61/50/409936150.db2.gz MZQGSRUUGOIEPT-VXGBXAGGSA-N 1 0 215.337 1.506 10 0 BDAERO CO[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000662835459 409945639 /nfs/dbraw/zinc/94/56/39/409945639.db2.gz OTKSQLGOVSQJFE-GRYCIOLGSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000662970608 410001238 /nfs/dbraw/zinc/00/12/38/410001238.db2.gz NBQXFPVXISBDNH-UWVGGRQHSA-N 1 0 236.319 1.185 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CO1 ZINC000647209215 410089220 /nfs/dbraw/zinc/08/92/20/410089220.db2.gz XZMFYYOHRPOYGV-UZWSLXQKSA-N 1 0 227.348 1.957 10 0 BDAERO CCCc1nccnc1NC[C@H]([NH3+])C1CC1 ZINC000663271861 410091080 /nfs/dbraw/zinc/09/10/80/410091080.db2.gz HCCIDDBLWMKQQJ-JTQLQIEISA-N 1 0 220.320 1.578 10 0 BDAERO CN(C(=O)C1CCC([NH3+])CC1)C(C)(C)C ZINC000258937598 487614308 /nfs/dbraw/zinc/61/43/08/487614308.db2.gz ZZDJJWVSIALVFC-UHFFFAOYSA-N 1 0 212.337 1.761 10 0 BDAERO Brc1cnn(CC[NH2+]C2CC2)c1 ZINC000042410478 166105806 /nfs/dbraw/zinc/10/58/06/166105806.db2.gz PPTWBUJNIYOIMP-UHFFFAOYSA-N 1 0 230.109 1.398 10 0 BDAERO Brc1cnn(CC2CC[NH2+]CC2)c1 ZINC000043497856 166106758 /nfs/dbraw/zinc/10/67/58/166106758.db2.gz CRIBHVKYODNAKI-UHFFFAOYSA-N 1 0 244.136 1.645 10 0 BDAERO COCC[NH2+]C[C@H](O)CO[C@@H]1CCCC[C@H]1C ZINC000248000933 410300042 /nfs/dbraw/zinc/30/00/42/410300042.db2.gz DGQXSWOOUKILCE-FRRDWIJNSA-N 1 0 245.363 1.179 10 0 BDAERO CC(C)[C@@H](C)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129094400 410367427 /nfs/dbraw/zinc/36/74/27/410367427.db2.gz YZWGITFLVUDVOS-WDEREUQCSA-N 1 0 214.353 1.768 10 0 BDAERO CCN(CC)C(=O)C[C@H](C[NH3+])c1ccco1 ZINC000076611752 169750751 /nfs/dbraw/zinc/75/07/51/169750751.db2.gz NQSNCBSKILNXEP-SNVBAGLBSA-N 1 0 224.304 1.580 10 0 BDAERO CCN(CC)C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055145165 169758656 /nfs/dbraw/zinc/75/86/56/169758656.db2.gz FRXPGAWMCMTVBH-QWRGUYRKSA-N 1 0 212.337 1.620 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@H](CO)C(C)(C)C ZINC000393982939 410549045 /nfs/dbraw/zinc/54/90/45/410549045.db2.gz SVKKEDZTTMPTOH-WDEREUQCSA-N 1 0 214.353 1.077 10 0 BDAERO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH3+] ZINC000045919741 166609153 /nfs/dbraw/zinc/60/91/53/166609153.db2.gz ATYUMOMRKDSPEW-UHFFFAOYSA-N 1 0 220.316 1.772 10 0 BDAERO CC(C)(C)[NH2+]C[C@H]1CC[C@@H](Cn2cccn2)O1 ZINC000052574925 166633455 /nfs/dbraw/zinc/63/34/55/166633455.db2.gz BURHDXQXPIDGIZ-NEPJUHHUSA-N 1 0 237.347 1.819 10 0 BDAERO CO[C@@H](C[NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000393504696 410724430 /nfs/dbraw/zinc/72/44/30/410724430.db2.gz HDMJUFUXFKWARV-RYUDHWBXSA-N 1 0 213.321 1.570 10 0 BDAERO CC(C)C1([NH2+]CCCN2CCOCC2)CC1 ZINC000339505825 166751904 /nfs/dbraw/zinc/75/19/04/166751904.db2.gz DIEYMFSXEWBSCU-UHFFFAOYSA-N 1 0 226.364 1.487 10 0 BDAERO CC(C)CC(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062036579 166766274 /nfs/dbraw/zinc/76/62/74/166766274.db2.gz OJCLDZGOZFCMOE-GHMZBOCLSA-N 1 0 212.337 1.537 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCNC2=O)o1 ZINC000395880463 410867260 /nfs/dbraw/zinc/86/72/60/410867260.db2.gz BWSZPYNCTOHJAH-QWRGUYRKSA-N 1 0 236.315 1.765 10 0 BDAERO CC(C)C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275662354 167008545 /nfs/dbraw/zinc/00/85/45/167008545.db2.gz VDNOVSYSGNATHT-LLVKDONJSA-N 1 0 207.321 1.691 10 0 BDAERO CC(C)C[NH2+][C@]1(C(N)=O)CCc2ccccc2C1 ZINC000037946333 167014915 /nfs/dbraw/zinc/01/49/15/167014915.db2.gz JHHODNIMKYAYNV-OAHLLOKOSA-N 1 0 246.354 1.645 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(F)F)C1 ZINC000122456761 167026722 /nfs/dbraw/zinc/02/67/22/167026722.db2.gz HUNAHNKJXGRZEX-BDAKNGLRSA-N 1 0 249.305 1.279 10 0 BDAERO CC[NH+](CC)CCNC(=O)c1cccc(N)c1C ZINC000019259071 169779156 /nfs/dbraw/zinc/77/91/56/169779156.db2.gz KPYILAAHXUPVMH-UHFFFAOYSA-N 1 0 249.358 1.649 10 0 BDAERO CC(C)NC(=O)CN(C)[C@@H](C[NH3+])c1ccccc1 ZINC000042899495 167047900 /nfs/dbraw/zinc/04/79/00/167047900.db2.gz BEFKXNKQJDOAKS-ZDUSSCGKSA-N 1 0 249.358 1.143 10 0 BDAERO CC(C)NC(=O)NC[C@H]1CCC[C@H](C)[NH2+]1 ZINC000051573942 167073345 /nfs/dbraw/zinc/07/33/45/167073345.db2.gz VFNQPVVKIANMIN-VHSXEESVSA-N 1 0 213.325 1.225 10 0 BDAERO CC(C)NC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145232 167081305 /nfs/dbraw/zinc/08/13/05/167081305.db2.gz CHXBBJMHQCEUHM-WDEREUQCSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)[NH2+]CC(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000051733153 167098051 /nfs/dbraw/zinc/09/80/51/167098051.db2.gz PFHHYJGILRCRDP-MNOVXSKESA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)[NH2+]CCN(C)CCc1ccccn1 ZINC000037477273 167102855 /nfs/dbraw/zinc/10/28/55/167102855.db2.gz QVJSPIXASSSROR-UHFFFAOYSA-N 1 0 221.348 1.554 10 0 BDAERO CC(C)[NH2+]CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000037477244 167106285 /nfs/dbraw/zinc/10/62/85/167106285.db2.gz HDLRUPIMXHLSHU-PHIMTYICSA-N 1 0 200.326 1.094 10 0 BDAERO CC(C)[NH2+]CCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000309654966 167107534 /nfs/dbraw/zinc/10/75/34/167107534.db2.gz YVAGZOWYYAXKNI-DGCLKSJQSA-N 1 0 226.364 1.484 10 0 BDAERO CC(C)[NH2+]C[C@@H](C)n1nnc2ccccc21 ZINC000052576738 167112175 /nfs/dbraw/zinc/11/21/75/167112175.db2.gz JPWWSISQFZBSAA-SNVBAGLBSA-N 1 0 218.304 1.990 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCCN1c1nccn1C ZINC000053699469 167115643 /nfs/dbraw/zinc/11/56/43/167115643.db2.gz NRMGTTQDNTVAFT-GFCCVEGCSA-N 1 0 236.363 1.777 10 0 BDAERO CC(C)[NH2+]Cc1ccc(OCC(F)(F)F)nn1 ZINC000051523465 167119388 /nfs/dbraw/zinc/11/93/88/167119388.db2.gz QZYBFPDAZGUQMD-UHFFFAOYSA-N 1 0 249.236 1.916 10 0 BDAERO CC(C)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000019880809 167133087 /nfs/dbraw/zinc/13/30/87/167133087.db2.gz BHXSUTWDRPQZST-JTQLQIEISA-N 1 0 231.303 1.721 10 0 BDAERO CC(C)[NH2+][C@@H]1CCCN(C(F)(F)F)C1 ZINC000095088396 167133921 /nfs/dbraw/zinc/13/39/21/167133921.db2.gz HHKKJRSOQFIKKF-MRVPVSSYSA-N 1 0 210.243 1.969 10 0 BDAERO CC(C)[NH2+][C@H]1CCc2nc(N)sc2C1 ZINC000034120933 167142358 /nfs/dbraw/zinc/14/23/58/167142358.db2.gz UZMLPKOLEWAJLZ-ZETCQYMHSA-N 1 0 211.334 1.581 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000044240674 167162859 /nfs/dbraw/zinc/16/28/59/167162859.db2.gz YBOHMRDKJMXPFA-DTWKUNHWSA-N 1 0 200.282 1.391 10 0 BDAERO CC(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359129 167163177 /nfs/dbraw/zinc/16/31/77/167163177.db2.gz JGXHQCUHSXNFMO-QWRGUYRKSA-N 1 0 226.320 1.748 10 0 BDAERO CC(C)OC(=O)NCC1=CC[N@H+](C)CC1 ZINC000295043842 167164612 /nfs/dbraw/zinc/16/46/12/167164612.db2.gz ANSXQRAWFMRPPB-UHFFFAOYSA-N 1 0 212.293 1.383 10 0 BDAERO CC(C)OC(=O)c1c(N)sc2c1CC[NH2+]C2 ZINC000041047005 167171606 /nfs/dbraw/zinc/17/16/06/167171606.db2.gz RUMGYEIABRWUPK-UHFFFAOYSA-N 1 0 240.328 1.541 10 0 BDAERO CC(C)OCCOC[C@@H]1CCCC[NH2+]1 ZINC000019431181 167248823 /nfs/dbraw/zinc/24/88/23/167248823.db2.gz CWFJDQGASSZGBZ-NSHDSACASA-N 1 0 201.310 1.570 10 0 BDAERO CC(C)Oc1cc2c(cc1C[NH3+])OCO2 ZINC000042873605 167287825 /nfs/dbraw/zinc/28/78/25/167287825.db2.gz AFRNECYGOFXLIV-UHFFFAOYSA-N 1 0 209.245 1.661 10 0 BDAERO CC(C)Oc1ccc(CC[C@@H](O)C[NH3+])cc1 ZINC000071531322 167293046 /nfs/dbraw/zinc/29/30/46/167293046.db2.gz DHWCKAFXVLZYDB-GFCCVEGCSA-N 1 0 223.316 1.726 10 0 BDAERO CC(C)Oc1ccc(N2C[C@H](C[NH3+])CC2=O)cc1 ZINC000019669571 167295443 /nfs/dbraw/zinc/29/54/43/167295443.db2.gz CYUONPUCUUBUSQ-NSHDSACASA-N 1 0 248.326 1.785 10 0 BDAERO CC(C)Oc1ncccc1NC(=O)[C@H](C)C[NH3+] ZINC000054345171 167313517 /nfs/dbraw/zinc/31/35/17/167313517.db2.gz TUUSBLSCFDPIPH-SECBINFHSA-N 1 0 237.303 1.402 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N1CCC(C[NH3+])CC1 ZINC000236655849 167357045 /nfs/dbraw/zinc/35/70/45/167357045.db2.gz TZQNMFFMFAJNTH-NSHDSACASA-N 1 0 226.364 1.866 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037654825 167366639 /nfs/dbraw/zinc/36/66/39/167366639.db2.gz HTSHAUZEBKDBJC-BXKDBHETSA-N 1 0 212.337 1.617 10 0 BDAERO CC(C)[C@@H](C)[NH2+]C1CCS(=O)CC1 ZINC000042336264 167380968 /nfs/dbraw/zinc/38/09/68/167380968.db2.gz KBPCSWFWVCGSAB-TTXORMCVSA-N 1 0 203.351 1.532 10 0 BDAERO CC(C)[C@@H](C[NH3+])N1Cc2ccccc2C1 ZINC000050910617 167397671 /nfs/dbraw/zinc/39/76/71/167397671.db2.gz CCNYJLZWELBDKZ-CYBMUJFWSA-N 1 0 204.317 1.986 10 0 BDAERO CC[C@H](O)CCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000398497699 410968808 /nfs/dbraw/zinc/96/88/08/410968808.db2.gz IMXQAFIDXHPVTD-QWRGUYRKSA-N 1 0 230.352 1.027 10 0 BDAERO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H](O)C1)[C@H](C)[NH3+] ZINC000399525374 411048681 /nfs/dbraw/zinc/04/86/81/411048681.db2.gz SCLVNRYVWMGUFI-USZNOCQGSA-N 1 0 242.363 1.026 10 0 BDAERO CC(C)c1ccc(OCC[C@H]([NH3+])CO)cc1 ZINC000071531335 167608571 /nfs/dbraw/zinc/60/85/71/167608571.db2.gz PVPXFWTWAXJERA-LBPRGKRZSA-N 1 0 223.316 1.899 10 0 BDAERO COc1cccnc1NC[C@H]1CC[NH2+]C1 ZINC000107203713 411132774 /nfs/dbraw/zinc/13/27/74/411132774.db2.gz BKVSHYTXYKMYGW-VIFPVBQESA-N 1 0 207.277 1.112 10 0 BDAERO [NH3+]C[C@@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000044532142 411137128 /nfs/dbraw/zinc/13/71/28/411137128.db2.gz HRGOQQXIXYLGAS-NSHDSACASA-N 1 0 242.326 1.805 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000309515161 411157890 /nfs/dbraw/zinc/15/78/90/411157890.db2.gz RCYVZVBRHRWMOQ-QONHTCSSSA-N 1 0 210.321 1.289 10 0 BDAERO COc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCO2)s1 ZINC000309359341 411108236 /nfs/dbraw/zinc/10/82/36/411108236.db2.gz NUHWDNGTMTZBHZ-WPRPVWTQSA-N 1 0 242.344 1.809 10 0 BDAERO C[C@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000043595201 411124106 /nfs/dbraw/zinc/12/41/06/411124106.db2.gz ARIDVEAXENCTKM-IINYFYTJSA-N 1 0 244.338 1.788 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCOCC1 ZINC000309560038 411171503 /nfs/dbraw/zinc/17/15/03/411171503.db2.gz OEIFEUKWKMTCAD-QWRGUYRKSA-N 1 0 228.336 1.045 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H](C)C1CC1 ZINC000128927927 411190467 /nfs/dbraw/zinc/19/04/67/411190467.db2.gz LHBLDHKTTUGIDV-GXSJLCMTSA-N 1 0 212.337 1.617 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000658003868 411195077 /nfs/dbraw/zinc/19/50/77/411195077.db2.gz VGKHQQVQACCJSS-HBNTYKKESA-N 1 0 242.388 1.529 10 0 BDAERO CC1(C)[C@H]([NH2+]C2CC(CO)C2)[C@H]2CCO[C@@H]21 ZINC000658354508 411199804 /nfs/dbraw/zinc/19/98/04/411199804.db2.gz CYSDEIBIROWNEK-IVVCIIHESA-N 1 0 225.332 1.160 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H]1C ZINC000074498469 411206289 /nfs/dbraw/zinc/20/62/89/411206289.db2.gz MTIHQTNRDQFCTK-HBNTYKKESA-N 1 0 225.336 1.178 10 0 BDAERO CC(C)n1cnnc1CC[C@H]1CCC[NH2+]C1 ZINC000054498264 167783665 /nfs/dbraw/zinc/78/36/65/167783665.db2.gz YXOZLTKZLARYRX-LLVKDONJSA-N 1 0 222.336 1.791 10 0 BDAERO C[C@H](O)C1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000310099247 411210593 /nfs/dbraw/zinc/21/05/93/411210593.db2.gz AVDOJSXPOMUKSR-OUCADQQQSA-N 1 0 241.375 1.630 10 0 BDAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322168544 411215567 /nfs/dbraw/zinc/21/55/67/411215567.db2.gz LKGHSLAMWHWEDT-JLIMGVALSA-N 1 0 219.350 1.054 10 0 BDAERO Cc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)n[nH]1 ZINC000129067403 411218073 /nfs/dbraw/zinc/21/80/73/411218073.db2.gz MRYWKMXVMYOXHR-MRVPVSSYSA-N 1 0 210.281 1.030 10 0 BDAERO Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CCNC2=O)c1 ZINC000658056085 411222240 /nfs/dbraw/zinc/22/22/40/411222240.db2.gz WAUMBQZKDOGJGU-TZMCWYRMSA-N 1 0 246.354 1.794 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CC=CCC1 ZINC000129113456 411229861 /nfs/dbraw/zinc/22/98/61/411229861.db2.gz LQJRMGSSEITURO-MNOVXSKESA-N 1 0 210.321 1.585 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCC1CCC1 ZINC000660476286 411230040 /nfs/dbraw/zinc/23/00/40/411230040.db2.gz DYLGOXYASVIWRV-CMPLNLGQSA-N 1 0 224.348 1.823 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1ccc(N)nc1 ZINC000616638055 411239854 /nfs/dbraw/zinc/23/98/54/411239854.db2.gz UWGRXYBQGSLDLJ-NSHDSACASA-N 1 0 234.347 1.409 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](n2ccc(N)n2)C1 ZINC000616658446 411240609 /nfs/dbraw/zinc/24/06/09/411240609.db2.gz FIRGXGMOKYHBEJ-SNVBAGLBSA-N 1 0 238.335 1.137 10 0 BDAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccccn1)C2 ZINC000309408861 411241641 /nfs/dbraw/zinc/24/16/41/411241641.db2.gz FSGYXBLPWXBGJP-AAEUAGOBSA-N 1 0 217.316 1.647 10 0 BDAERO Cc1cc(CNC(=O)CC[C@H]2CCC[NH2+]2)no1 ZINC000310580872 411241945 /nfs/dbraw/zinc/24/19/45/411241945.db2.gz QZAQNQDDKUZWQL-SNVBAGLBSA-N 1 0 237.303 1.131 10 0 BDAERO CC(C)C[C@@H](C[NH3+])Nc1ncnc2c1CCC2 ZINC000111376992 411167510 /nfs/dbraw/zinc/16/75/10/411167510.db2.gz JAIMWLKMTCWUFM-JTQLQIEISA-N 1 0 234.347 1.751 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccncc1 ZINC000128874026 411268453 /nfs/dbraw/zinc/26/84/53/411268453.db2.gz KPJXBHZCDWWLQQ-JTQLQIEISA-N 1 0 207.277 1.394 10 0 BDAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1(CO)CC1 ZINC000658155370 411269056 /nfs/dbraw/zinc/26/90/56/411269056.db2.gz PQFAEGBTUCKNJQ-YFKTTZPYSA-N 1 0 239.359 1.551 10 0 BDAERO Nc1cc([C@H]2CCCCC[N@@H+]2CCO)ccn1 ZINC000616605410 411280728 /nfs/dbraw/zinc/28/07/28/411280728.db2.gz KPKNHOGFLFLVDG-GFCCVEGCSA-N 1 0 235.331 1.573 10 0 BDAERO CC[C@@H](COC)NC(=O)C1CCC([NH3+])CC1 ZINC000070659031 411286573 /nfs/dbraw/zinc/28/65/73/411286573.db2.gz TVSQHBGYXIGZID-ILDUYXDCSA-N 1 0 228.336 1.045 10 0 BDAERO Cc1cc(C)nc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000310821930 411286809 /nfs/dbraw/zinc/28/68/09/411286809.db2.gz BTZBHJFWYVCNGU-JSGCOSHPSA-N 1 0 246.358 1.659 10 0 BDAERO CC[C@H]([NH2+]C1CC(CO)C1)[C@@H]1CCOC1 ZINC000658357421 411303509 /nfs/dbraw/zinc/30/35/09/411303509.db2.gz UUKIDWVASLFHTB-RSJDFQLWSA-N 1 0 213.321 1.162 10 0 BDAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cccc(O)c1 ZINC000658357095 411303516 /nfs/dbraw/zinc/30/35/16/411303516.db2.gz RJRSHXFZPXMRCY-GRZMOONWSA-N 1 0 221.300 1.814 10 0 BDAERO CCc1ncnc(N(C)CC(C)(C)[NH3+])c1F ZINC000656609072 411307837 /nfs/dbraw/zinc/30/78/37/411307837.db2.gz LILKZHYXMPJIAE-UHFFFAOYSA-N 1 0 226.299 1.352 10 0 BDAERO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658239020 411308352 /nfs/dbraw/zinc/30/83/52/411308352.db2.gz LDWKARQWKXMBAB-PWSUYJOCSA-N 1 0 224.348 1.633 10 0 BDAERO Cc1cc(NCC2([NH3+])CCCC2)nc(C)n1 ZINC000656610194 411308685 /nfs/dbraw/zinc/30/86/85/411308685.db2.gz JFNFILYYQVGDBT-UHFFFAOYSA-N 1 0 220.320 1.777 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658240748 411309044 /nfs/dbraw/zinc/30/90/44/411309044.db2.gz JKDGWMTWSVDNRJ-CMPLNLGQSA-N 1 0 224.348 1.633 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ncnc2ccsc21 ZINC000656609930 411309029 /nfs/dbraw/zinc/30/90/29/411309029.db2.gz WNTBLTMNBCTOLN-UHFFFAOYSA-N 1 0 236.344 1.865 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@H]1C[C@H]1C ZINC000658242880 411309078 /nfs/dbraw/zinc/30/90/78/411309078.db2.gz VPOQLJJJCIDRJA-RHYQMDGZSA-N 1 0 224.348 1.489 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)[C@H](C)C1 ZINC000658239904 411309596 /nfs/dbraw/zinc/30/95/96/411309596.db2.gz OAWKWPSIXRRIMM-NDBYEHHHSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658245034 411310184 /nfs/dbraw/zinc/31/01/84/411310184.db2.gz OSGBUQZVHWFUKY-NEPJUHHUSA-N 1 0 232.327 1.816 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C(C)(C)C ZINC000658242809 411310500 /nfs/dbraw/zinc/31/05/00/411310500.db2.gz KVZDXWAPLABNJX-UWVGGRQHSA-N 1 0 212.337 1.489 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNC2=O)CS1 ZINC000655704117 411254642 /nfs/dbraw/zinc/25/46/42/411254642.db2.gz PZSAZYPJEGQENE-KXUCPTDWSA-N 1 0 228.361 1.139 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCO[C@H]1CC1(F)F ZINC000656708052 411335137 /nfs/dbraw/zinc/33/51/37/411335137.db2.gz JOUSVNDEGHMEAT-BDAKNGLRSA-N 1 0 237.290 1.407 10 0 BDAERO CC(C)(C)OC(=O)NC1CC(C)([NH3+])C1 ZINC000095742847 168053213 /nfs/dbraw/zinc/05/32/13/168053213.db2.gz IDZXBLNHGNNOSO-UHFFFAOYSA-N 1 0 200.282 1.391 10 0 BDAERO C[C@]1(C(=O)NCCCC2CCC2)CCC[NH2+]1 ZINC000659361728 411377332 /nfs/dbraw/zinc/37/73/32/411377332.db2.gz MVLGVNKNQJGLHG-CYBMUJFWSA-N 1 0 224.348 1.825 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000659361922 411377716 /nfs/dbraw/zinc/37/77/16/411377716.db2.gz SGFJPUOXUGGJBD-ZNSHCXBVSA-N 1 0 210.321 1.147 10 0 BDAERO O=C(NCCCC1CCC1)[C@@H]1CC[NH2+]C1 ZINC000659362426 411377923 /nfs/dbraw/zinc/37/79/23/411377923.db2.gz PJAWROIRRJCONL-LLVKDONJSA-N 1 0 210.321 1.292 10 0 BDAERO CC1CC(=O)N([C@H]2CCCCC[C@@H]2[NH3+])C(=O)C1 ZINC000063214990 168139462 /nfs/dbraw/zinc/13/94/62/168139462.db2.gz KJXOORMHYCYULA-QWRGUYRKSA-N 1 0 238.331 1.432 10 0 BDAERO O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[NH2+]C1 ZINC000659359396 411375336 /nfs/dbraw/zinc/37/53/36/411375336.db2.gz RBCWWZHHTXTDPJ-FIQHERPVSA-N 1 0 222.332 1.148 10 0 BDAERO CC1CCC(C[NH2+]C[C@@]2(O)CCN(C)C2)CC1 ZINC000358137567 168155518 /nfs/dbraw/zinc/15/55/18/168155518.db2.gz MBVXAWBHBGYRPX-RUXDESIVSA-N 1 0 240.391 1.469 10 0 BDAERO CC1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000032015106 168184335 /nfs/dbraw/zinc/18/43/35/168184335.db2.gz DIZOBUYOVPUVRO-UHFFFAOYSA-N 1 0 225.361 1.834 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000659374356 411388371 /nfs/dbraw/zinc/38/83/71/411388371.db2.gz JLXGKWYJACZBLC-KXNHARMFSA-N 1 0 240.347 1.140 10 0 BDAERO CC1CC[NH+]([C@H](CN)[C@H]2CCOC2)CC1 ZINC000022169910 168187700 /nfs/dbraw/zinc/18/77/00/168187700.db2.gz ZXVWRJRFOMMKNS-NWDGAFQWSA-N 1 0 212.337 1.082 10 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BDAERO CCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000070226955 168239806 /nfs/dbraw/zinc/23/98/06/168239806.db2.gz LTPUEGABDDRSON-SNVBAGLBSA-N 1 0 200.326 1.489 10 0 BDAERO COC(C)(C)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000404243453 411386610 /nfs/dbraw/zinc/38/66/10/411386610.db2.gz ROUMPDPDNQBHIG-UHFFFAOYSA-N 1 0 242.363 1.387 10 0 BDAERO Cc1cc2c(NC[C@H]3CCCC[NH2+]3)nccn2n1 ZINC000129754174 411386741 /nfs/dbraw/zinc/38/67/41/411386741.db2.gz QNUFMIAFVQAKSA-LLVKDONJSA-N 1 0 245.330 1.592 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052015027 168290288 /nfs/dbraw/zinc/29/02/88/168290288.db2.gz HODGJECTTMKYBP-MNOVXSKESA-N 1 0 242.363 1.184 10 0 BDAERO CCC(C)(C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000020597445 168291501 /nfs/dbraw/zinc/29/15/01/168291501.db2.gz FIRMRXGBSOCVDE-JTQLQIEISA-N 1 0 212.337 1.823 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)CO1 ZINC000657309080 411458426 /nfs/dbraw/zinc/45/84/26/411458426.db2.gz ILGCCZFEKAUGJJ-NNYUYHANSA-N 1 0 213.321 1.711 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1=CCCC1 ZINC000659379868 411393726 /nfs/dbraw/zinc/39/37/26/411393726.db2.gz RIXDKHPMLMQLCD-RYUDHWBXSA-N 1 0 222.332 1.588 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](OC(C)C)C1 ZINC000404546960 411400767 /nfs/dbraw/zinc/40/07/67/411400767.db2.gz IWIPQCAEWKEXBU-NWDGAFQWSA-N 1 0 242.363 1.530 10 0 BDAERO CC(C)(F)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000659359722 411402085 /nfs/dbraw/zinc/40/20/85/411402085.db2.gz VTJDMAWBKBKRGC-IUCAKERBSA-N 1 0 216.300 1.368 10 0 BDAERO C[NH2+]Cc1ccccc1CNc1ccnc(C)n1 ZINC000404628417 411402096 /nfs/dbraw/zinc/40/20/96/411402096.db2.gz DSKKPRBCCVLKSO-UHFFFAOYSA-N 1 0 242.326 1.538 10 0 BDAERO C[NH2+]Cc1ccccc1CNc1cc(C)ncn1 ZINC000404648952 411403622 /nfs/dbraw/zinc/40/36/22/411403622.db2.gz QFXLDCQJFYDBST-UHFFFAOYSA-N 1 0 242.326 1.538 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@]1(C)CC1(C)C ZINC000659379471 411406352 /nfs/dbraw/zinc/40/63/52/411406352.db2.gz IHWNBZTZHXGPPY-LNLATYFQSA-N 1 0 210.321 1.147 10 0 BDAERO CCN(CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056362 411407084 /nfs/dbraw/zinc/40/70/84/411407084.db2.gz BMYKRFOYHONVHM-HTQZYQBOSA-N 1 0 238.253 1.253 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2cccc(N)n2)C1 ZINC000616648832 411411133 /nfs/dbraw/zinc/41/11/33/411411133.db2.gz DSAYREPSZRRSQW-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)(CC[N@@H+]1C[C@H](O)C[C@@H]1CO)C1CC1 ZINC000653594439 411430422 /nfs/dbraw/zinc/43/04/22/411430422.db2.gz SITOHTWSORLTHK-VXGBXAGGSA-N 1 0 227.348 1.240 10 0 BDAERO Cc1cc(C(C)C)nc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000122555511 411432512 /nfs/dbraw/zinc/43/25/12/411432512.db2.gz YQXRPBLXHHCHLJ-NSHDSACASA-N 1 0 234.347 1.693 10 0 BDAERO CCO[C@@H]1CN(c2ccc(F)cn2)C[C@H]1C[NH3+] ZINC000405530534 411433323 /nfs/dbraw/zinc/43/33/23/411433323.db2.gz MMBJUJDTSXPMCR-MWLCHTKSSA-N 1 0 239.294 1.021 10 0 BDAERO Cc1cccc(C)c1Cn1cc(C[NH3+])nn1 ZINC000126365139 411433473 /nfs/dbraw/zinc/43/34/73/411433473.db2.gz DIHKCQZSSRYXHN-UHFFFAOYSA-N 1 0 216.288 1.402 10 0 BDAERO C[C@@H](O)C[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000306150025 411436295 /nfs/dbraw/zinc/43/62/95/411436295.db2.gz CKHYGVPXDIJEPM-QWHCGFSZSA-N 1 0 236.359 1.477 10 0 BDAERO CCc1cc(N2CC[C@@H]([NH3+])[C@H](CC)C2)nc(C)n1 ZINC000122915531 411436604 /nfs/dbraw/zinc/43/66/04/411436604.db2.gz NBJURJFOEAYIIZ-DGCLKSJQSA-N 1 0 248.374 1.911 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NCc2nc(C)c[nH]2)C1 ZINC000657325264 411464626 /nfs/dbraw/zinc/46/46/26/411464626.db2.gz LWMGUQYPVAXKAD-LLVKDONJSA-N 1 0 222.336 1.292 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCS[C@H](C)C1 ZINC000123339587 411449350 /nfs/dbraw/zinc/44/93/50/411449350.db2.gz ILEJCLYAWDZZNL-NXEZZACHSA-N 1 0 230.377 1.324 10 0 BDAERO Cc1ccc(CNC(=O)C2CCC([NH3+])CC2)o1 ZINC000053038313 411474675 /nfs/dbraw/zinc/47/46/75/411474675.db2.gz MCOITDRMLSYZOK-UHFFFAOYSA-N 1 0 236.315 1.722 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CO1 ZINC000657379492 411487334 /nfs/dbraw/zinc/48/73/34/411487334.db2.gz YSEYAKSGJYLVSB-WRWGMCAJSA-N 1 0 213.321 1.305 10 0 BDAERO CCN1CCC[N@H+](C[C@](C)(O)C(C)C)CC1 ZINC000307772202 169964123 /nfs/dbraw/zinc/96/41/23/169964123.db2.gz JFXDUFWDKBDXII-ZDUSSCGKSA-N 1 0 228.380 1.421 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCC(C)(C)C ZINC000130046319 411507788 /nfs/dbraw/zinc/50/77/88/411507788.db2.gz FCNIWEJYFWUEIR-SNVBAGLBSA-N 1 0 214.353 1.912 10 0 BDAERO CN1CCC[C@H](C[N@H+](C)[C@@H]2CCC[C@H]2O)C1 ZINC000659950156 411508501 /nfs/dbraw/zinc/50/85/01/411508501.db2.gz XWVNPJVVMMRLTK-YNEHKIRRSA-N 1 0 226.364 1.173 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659953631 411509623 /nfs/dbraw/zinc/50/96/23/411509623.db2.gz RBIFMYQKWCODLR-UWVGGRQHSA-N 1 0 235.274 1.115 10 0 BDAERO CCOC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000659982881 411517838 /nfs/dbraw/zinc/51/78/38/411517838.db2.gz ZAESGDWPMDXWAM-IJLUTSLNSA-N 1 0 213.321 1.258 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CO1 ZINC000657327058 411465705 /nfs/dbraw/zinc/46/57/05/411465705.db2.gz UIYRSWCOABUQGE-FIQHERPVSA-N 1 0 213.321 1.447 10 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CCN1C[C@H]([NH2+]C[C@H](C)COC)[C@@H](C)C1 ZINC000309049426 170035810 /nfs/dbraw/zinc/03/58/10/170035810.db2.gz PZPHDFKJRYWDSI-SRVKXCTJSA-N 1 0 214.353 1.199 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000309959435 170039361 /nfs/dbraw/zinc/03/93/61/170039361.db2.gz KHIXCOIJICXYGL-LOWDOPEQSA-N 1 0 226.364 1.484 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000336778922 170039396 /nfs/dbraw/zinc/03/93/96/170039396.db2.gz MRYFIHMWVZEGGX-WUHRBBMRSA-N 1 0 226.364 1.484 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336758797 170039931 /nfs/dbraw/zinc/03/99/31/170039931.db2.gz JXNQVIAOLGJVNU-QCNOEVLYSA-N 1 0 228.405 1.668 10 0 BDAERO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000657522649 411540931 /nfs/dbraw/zinc/54/09/31/411540931.db2.gz AFGIBMMECCYFBW-IJLUTSLNSA-N 1 0 224.348 1.681 10 0 BDAERO CCNC(=[NH2+])N[C@H]1CCc2ccccc2C1 ZINC000052042391 170041649 /nfs/dbraw/zinc/04/16/49/170041649.db2.gz BJFYJABYVISHNM-LBPRGKRZSA-N 1 0 217.316 1.678 10 0 BDAERO C[N@H+](CCc1nccs1)[C@@H]1CCC[C@H]1O ZINC000660125664 411541508 /nfs/dbraw/zinc/54/15/08/411541508.db2.gz PIQUBKPHQMBBIG-NXEZZACHSA-N 1 0 226.345 1.531 10 0 BDAERO CCNC(=O)CC[N@H+](CC)C(CC)(CC)CN ZINC000051757879 170050124 /nfs/dbraw/zinc/05/01/24/170050124.db2.gz NQJKIASQTWBWGQ-UHFFFAOYSA-N 1 0 243.395 1.352 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1cccc(F)c1 ZINC000076620549 170052896 /nfs/dbraw/zinc/05/28/96/170052896.db2.gz KENJHDGOJXLRDZ-NSHDSACASA-N 1 0 238.306 1.784 10 0 BDAERO CCNC(=O)C[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000035135949 170064301 /nfs/dbraw/zinc/06/43/01/170064301.db2.gz LALKUVSRGFYIBF-DHHPTOIESA-N 1 0 212.337 1.537 10 0 BDAERO CCNC(=O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000035141836 170065996 /nfs/dbraw/zinc/06/59/96/170065996.db2.gz ZGDSKUFMZRTAHR-LLVKDONJSA-N 1 0 234.299 1.236 10 0 BDAERO CCNC(=O)C[C@H](C[NH3+])c1cccc(OC)c1 ZINC000057527689 170070049 /nfs/dbraw/zinc/07/00/49/170070049.db2.gz HJENVMQWSSDKJL-LLVKDONJSA-N 1 0 236.315 1.264 10 0 BDAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CC)C(C)C ZINC000042588926 170078707 /nfs/dbraw/zinc/07/87/07/170078707.db2.gz NGMSUUDERRZWBE-UWVGGRQHSA-N 1 0 243.351 1.245 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)C(C)(C)C ZINC000336766209 170088241 /nfs/dbraw/zinc/08/82/41/170088241.db2.gz RLMDOTXKQSSEIO-ZJUUUORDSA-N 1 0 214.353 1.925 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009905 170095357 /nfs/dbraw/zinc/09/53/57/170095357.db2.gz WUJXPWUKLDVAPN-JQWIXIFHSA-N 1 0 248.326 1.104 10 0 BDAERO CCNC(=O)[C@H](C)Oc1ccc(CC[NH3+])cc1 ZINC000020387561 170096841 /nfs/dbraw/zinc/09/68/41/170096841.db2.gz PDQAWLIPRSOOKA-JTQLQIEISA-N 1 0 236.315 1.091 10 0 BDAERO CCNC(=O)[C@H](CC[NH3+])c1cccc(OC)c1 ZINC000076618952 170097339 /nfs/dbraw/zinc/09/73/39/170097339.db2.gz KYTMTJZBSSUWIT-GFCCVEGCSA-N 1 0 236.315 1.264 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCC(C)CC1 ZINC000061278421 170106271 /nfs/dbraw/zinc/10/62/71/170106271.db2.gz XTKWGKWCBUJUOQ-UHFFFAOYSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000061289308 170107880 /nfs/dbraw/zinc/10/78/80/170107880.db2.gz KWASDPOEMFXOKB-UWVGGRQHSA-N 1 0 228.336 1.010 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1ccccn1 ZINC000061278525 170107907 /nfs/dbraw/zinc/10/79/07/170107907.db2.gz HIDRAILSHSWPDU-UHFFFAOYSA-N 1 0 207.277 1.408 10 0 BDAERO CCN[C@]1(C(=O)OCC)C=CC([NH2+]CC)=CC1 ZINC000100330574 170108750 /nfs/dbraw/zinc/10/87/50/170108750.db2.gz DKORPGUAQPPIDL-CYBMUJFWSA-N 1 0 238.331 1.351 10 0 BDAERO CC[NH2+]C1CCN(Cc2nccs2)CC1 ZINC000049533902 170108762 /nfs/dbraw/zinc/10/87/62/170108762.db2.gz SGYBCGVQHJIPLO-UHFFFAOYSA-N 1 0 225.361 1.717 10 0 BDAERO CC[NH2+]CC(C)(C)CN1CCn2ccnc2C1 ZINC000062322253 170110435 /nfs/dbraw/zinc/11/04/35/170110435.db2.gz ODVIWYIXQYRQEH-UHFFFAOYSA-N 1 0 236.363 1.334 10 0 BDAERO CC[NH2+]CC(=O)c1ccc(OCC)cc1 ZINC000041613131 170110591 /nfs/dbraw/zinc/11/05/91/170110591.db2.gz DGYBEPSSRYTQLS-UHFFFAOYSA-N 1 0 207.273 1.878 10 0 BDAERO CC[NH2+]CC1CCN(c2ccc(C)nn2)CC1 ZINC000053664509 170111768 /nfs/dbraw/zinc/11/17/68/170111768.db2.gz KTTRKCDMFBUBQL-UHFFFAOYSA-N 1 0 234.347 1.611 10 0 BDAERO CC[NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1C ZINC000061291669 170111959 /nfs/dbraw/zinc/11/19/59/170111959.db2.gz STIBXXBWKIWSDL-UHFFFAOYSA-N 1 0 249.314 1.032 10 0 BDAERO CC[NH2+]CCC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000061299294 170112169 /nfs/dbraw/zinc/11/21/69/170112169.db2.gz MQYGXTJHDBVEKE-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]CCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000044420602 170113538 /nfs/dbraw/zinc/11/35/38/170113538.db2.gz OOICZYUUBGVTKA-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+]CCc1nc2ccc(F)cc2n1C ZINC000052124524 170117922 /nfs/dbraw/zinc/11/79/22/170117922.db2.gz HIDOIJWGZZORQL-UHFFFAOYSA-N 1 0 221.279 1.864 10 0 BDAERO CC[NH2+]CCc1nnc(-c2cccc(O)c2)o1 ZINC000050619896 170118301 /nfs/dbraw/zinc/11/83/01/170118301.db2.gz PUAWLDOLSOESQB-UHFFFAOYSA-N 1 0 233.271 1.594 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccc(F)cc1Cl ZINC000032103357 170119115 /nfs/dbraw/zinc/11/91/15/170119115.db2.gz JLMYVCHBKYRYAI-SECBINFHSA-N 1 0 247.697 1.828 10 0 BDAERO CC[NH2+]C[C@@H](C)n1nnc2ccccc21 ZINC000052576734 170119142 /nfs/dbraw/zinc/11/91/42/170119142.db2.gz VZMLJECLCGKZTH-SECBINFHSA-N 1 0 204.277 1.602 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccc2c(c1)CCCC2 ZINC000032104646 170119156 /nfs/dbraw/zinc/11/91/56/170119156.db2.gz QKTPXVDETDWYPO-CQSZACIVSA-N 1 0 249.354 1.915 10 0 BDAERO CC[NH2+]C[C@@H](C)c1nc2cccnc2[nH]1 ZINC000061219437 170119186 /nfs/dbraw/zinc/11/91/86/170119186.db2.gz ZWUQVXBTMRFQNA-MRVPVSSYSA-N 1 0 204.277 1.671 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc(OC)c(F)c1 ZINC000049815338 170120469 /nfs/dbraw/zinc/12/04/69/170120469.db2.gz VMGMITKWYUROBC-SNVBAGLBSA-N 1 0 213.252 1.477 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1ccc2c(c1)OCCO2 ZINC000033466039 170120695 /nfs/dbraw/zinc/12/06/95/170120695.db2.gz KXQOUZDBAGYZDF-CYBMUJFWSA-N 1 0 237.299 1.275 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc(OCC)c(F)c1 ZINC000071533180 170122389 /nfs/dbraw/zinc/12/23/89/170122389.db2.gz RGQOHCXQUKMOHL-NSHDSACASA-N 1 0 227.279 1.867 10 0 BDAERO CC[NH2+]Cc1c(C)nc(N(C)C)nc1C ZINC000054854166 170124852 /nfs/dbraw/zinc/12/48/52/170124852.db2.gz MRFUGPKHAWLETI-UHFFFAOYSA-N 1 0 208.309 1.269 10 0 BDAERO CC[NH2+]Cc1ccnc(-c2cccnc2)n1 ZINC000054791230 170128869 /nfs/dbraw/zinc/12/88/69/170128869.db2.gz OLTSFXBRMCLFJN-UHFFFAOYSA-N 1 0 214.272 1.648 10 0 BDAERO CC[NH2+]Cc1cccnc1N1CCCOCC1 ZINC000061935316 170129249 /nfs/dbraw/zinc/12/92/49/170129249.db2.gz SCOPRQRBIMLXPK-UHFFFAOYSA-N 1 0 235.331 1.418 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H]1CCC[C@@H](C)C1 ZINC000054745233 170131305 /nfs/dbraw/zinc/13/13/05/170131305.db2.gz FZXAHBXHSHNEOA-ZJUUUORDSA-N 1 0 223.324 1.534 10 0 BDAERO CC[NH2+]Cc1nnc(-c2ccc(C)nc2)o1 ZINC000050615514 170131635 /nfs/dbraw/zinc/13/16/35/170131635.db2.gz VBSLHZWNNBRKPX-UHFFFAOYSA-N 1 0 218.260 1.550 10 0 BDAERO CC[NH2+]Cc1nncn1C1CCCCC1 ZINC000054526669 170131850 /nfs/dbraw/zinc/13/18/50/170131850.db2.gz OPRMSDRGPNAERG-UHFFFAOYSA-N 1 0 208.309 1.893 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H]1CCCC[C@H]1C ZINC000054745933 170132246 /nfs/dbraw/zinc/13/22/46/170132246.db2.gz JQKQMPFDUABGSH-NXEZZACHSA-N 1 0 223.324 1.534 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1ccc(OCC)cc1 ZINC000037869706 170137898 /nfs/dbraw/zinc/13/78/98/170137898.db2.gz ZJKPDCBEIBDTGP-LLVKDONJSA-N 1 0 222.288 1.221 10 0 BDAERO CC[NH2+][C@@H](C)[C@H](C)N1CCCOCC1 ZINC000061917904 170141384 /nfs/dbraw/zinc/14/13/84/170141384.db2.gz PXUDGYZWDVEPJE-QWRGUYRKSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+][C@@H](C)c1nnc(-c2cc[nH]n2)o1 ZINC000062780072 170142915 /nfs/dbraw/zinc/14/29/15/170142915.db2.gz INCZMBNUBGYPBF-LURJTMIESA-N 1 0 207.237 1.130 10 0 BDAERO CC[NH2+][C@@H](CO)c1cc(OC)c(C)cc1OC ZINC000071549496 170144613 /nfs/dbraw/zinc/14/46/13/170144613.db2.gz KFIPDRFRRAXCRD-NSHDSACASA-N 1 0 239.315 1.655 10 0 BDAERO CC[NH2+][C@@H](CO)c1ccc(OC)c(C)c1OC ZINC000071549519 170145266 /nfs/dbraw/zinc/14/52/66/170145266.db2.gz WUTBQHNIJRXINJ-NSHDSACASA-N 1 0 239.315 1.655 10 0 BDAERO CC[NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1 ZINC000062720484 170145656 /nfs/dbraw/zinc/14/56/56/170145656.db2.gz OAJHCWNEWCTTIA-VIFPVBQESA-N 1 0 219.206 1.747 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000104194843 170150752 /nfs/dbraw/zinc/15/07/52/170150752.db2.gz JAMZZDIQSVGSMH-MJBXVCDLSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@@H]1CCN(CC2CCCC2)C1=O ZINC000049648081 170151688 /nfs/dbraw/zinc/15/16/88/170151688.db2.gz PMXCGBCKERVNGO-LLVKDONJSA-N 1 0 210.321 1.387 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000049647845 170152308 /nfs/dbraw/zinc/15/23/08/170152308.db2.gz GMPKOLXSXNRPTO-GFCCVEGCSA-N 1 0 236.290 1.536 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cccc(F)c2)C1=O ZINC000049647091 170152555 /nfs/dbraw/zinc/15/25/55/170152555.db2.gz XYTLWIUMKRSSAJ-LLVKDONJSA-N 1 0 222.263 1.541 10 0 BDAERO CC[NH2+][C@@H]1CC[S@](=O)c2ccccc21 ZINC000040973500 170154152 /nfs/dbraw/zinc/15/41/52/170154152.db2.gz SNRPNSSLNUNZLK-QMTHXVAHSA-N 1 0 209.314 1.849 10 0 BDAERO CC[NH2+][C@@]1(c2nc(C)c(C)s2)CCN(C)C1 ZINC000061991849 170155788 /nfs/dbraw/zinc/15/57/88/170155788.db2.gz KYNPTBIASLQFQU-LBPRGKRZSA-N 1 0 239.388 1.900 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N(C)C[C@H]1CCCCO1 ZINC000061274084 170156849 /nfs/dbraw/zinc/15/68/49/170156849.db2.gz VGUFPRKYGYUTDL-VXGBXAGGSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+][C@H](C)CN1CCOc2ccccc2C1 ZINC000063012595 170156955 /nfs/dbraw/zinc/15/69/55/170156955.db2.gz PLFLETNFBSFTAC-GFCCVEGCSA-N 1 0 234.343 1.879 10 0 BDAERO CC[NH2+][C@H](C)c1ccc2c(c1)oc(=O)n2C ZINC000051362242 170159163 /nfs/dbraw/zinc/15/91/63/170159163.db2.gz IDITVGLCXUTWTA-MRVPVSSYSA-N 1 0 220.272 1.802 10 0 BDAERO CC[NH2+][C@H](C)c1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000034819245 170159589 /nfs/dbraw/zinc/15/95/89/170159589.db2.gz HZVPPWVUOHKQLI-ZJUUUORDSA-N 1 0 236.315 1.610 10 0 BDAERO CC[NH2+][C@H](C1=CCCCC1)[C@H]1COCCO1 ZINC000055301272 170160663 /nfs/dbraw/zinc/16/06/63/170160663.db2.gz LDQYQBPZYNDANM-CHWSQXEVSA-N 1 0 225.332 1.880 10 0 BDAERO CC[NH2+][C@H](c1ccc(C)o1)[C@@H]1COCCO1 ZINC000055301189 170163366 /nfs/dbraw/zinc/16/33/66/170163366.db2.gz QISUMQPVZIVLQV-NWDGAFQWSA-N 1 0 225.288 1.654 10 0 BDAERO CC[NH2+][C@H](c1ccccc1)[C@H]1COCCO1 ZINC000055299905 170164366 /nfs/dbraw/zinc/16/43/66/170164366.db2.gz ACCPNRNLOYMADT-CHWSQXEVSA-N 1 0 221.300 1.753 10 0 BDAERO CC[NH2+][C@H]1CCCCC[C@@H]1S(C)(=O)=O ZINC000054930359 170166101 /nfs/dbraw/zinc/16/61/01/170166101.db2.gz LFOLMFYYASNPKQ-UWVGGRQHSA-N 1 0 219.350 1.342 10 0 BDAERO CC[NH2+][C@H]1CCN(C2CCC(C)CC2)C1=O ZINC000049647902 170166764 /nfs/dbraw/zinc/16/67/64/170166764.db2.gz DCEYOAIDCLVPHM-MCIGGMRASA-N 1 0 224.348 1.776 10 0 BDAERO CC[NH2+][C@H]1CCN(C2CCCCCC2)C1=O ZINC000049648050 170166891 /nfs/dbraw/zinc/16/68/91/170166891.db2.gz JZFRBHMDWHZICW-LBPRGKRZSA-N 1 0 224.348 1.920 10 0 BDAERO CC[NH2+][C@H]1CCN([C@H](C)Cc2ccccc2)C1=O ZINC000062187436 170167490 /nfs/dbraw/zinc/16/74/90/170167490.db2.gz QMCJREZKNLKPBH-OCCSQVGLSA-N 1 0 246.354 1.828 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2nccn2C)C[C@@H]1C ZINC000071274156 170167512 /nfs/dbraw/zinc/16/75/12/170167512.db2.gz OPXVZADVUULVNV-RYUDHWBXSA-N 1 0 236.363 1.240 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccncc2)C1 ZINC000037483524 170167769 /nfs/dbraw/zinc/16/77/69/170167769.db2.gz YIQPTPIYVXAAAJ-LBPRGKRZSA-N 1 0 205.305 1.265 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)c2cccnc2)C1=O ZINC000049648703 170167988 /nfs/dbraw/zinc/16/79/88/170167988.db2.gz KRVKHKDUARNPAL-JQWIXIFHSA-N 1 0 233.315 1.353 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cccc(C)c2)C1=O ZINC000049647910 170168295 /nfs/dbraw/zinc/16/82/95/170168295.db2.gz UOPKSHNMBWGQAX-LBPRGKRZSA-N 1 0 218.300 1.710 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccncc2)C1=O ZINC000049648740 170168301 /nfs/dbraw/zinc/16/83/01/170168301.db2.gz XXPMPMWFTVLHQR-JQWIXIFHSA-N 1 0 233.315 1.353 10 0 BDAERO CCNc1ccc(C[N@H+](CCO)C(C)C)cn1 ZINC000050817929 170173532 /nfs/dbraw/zinc/17/35/32/170173532.db2.gz RRWLZVCGUNTVNO-UHFFFAOYSA-N 1 0 237.347 1.716 10 0 BDAERO CCOC(=O)N(CC[NH3+])C1CCSCC1 ZINC000253573477 170238417 /nfs/dbraw/zinc/23/84/17/170238417.db2.gz RLQPFHRXPPCSPF-UHFFFAOYSA-N 1 0 232.349 1.299 10 0 BDAERO CCOC(=O)NCC1([NH3+])CCCCC1 ZINC000041044050 170241914 /nfs/dbraw/zinc/24/19/14/170241914.db2.gz KMAWSOLPYSDSLW-UHFFFAOYSA-N 1 0 200.282 1.394 10 0 BDAERO CCOC(=O)NCc1ccc(C[NH3+])cc1 ZINC000037748046 170242302 /nfs/dbraw/zinc/24/23/02/170242302.db2.gz YOFOPZWRMHNQRQ-UHFFFAOYSA-N 1 0 208.261 1.391 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1ccccc1C ZINC000019415380 170243079 /nfs/dbraw/zinc/24/30/79/170243079.db2.gz NUZKFVRVCSXMGV-LLVKDONJSA-N 1 0 222.288 1.741 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1ccc(F)cc1F ZINC000019420712 170243245 /nfs/dbraw/zinc/24/32/45/170243245.db2.gz JXQAKGNYVJGIBN-SNVBAGLBSA-N 1 0 244.241 1.711 10 0 BDAERO CCOC(=O)[C@@H](N)CC[N@H+](C)CC1CCCC1 ZINC000104356738 170252755 /nfs/dbraw/zinc/25/27/55/170252755.db2.gz OJSYGAPLTZEFIK-LBPRGKRZSA-N 1 0 242.363 1.389 10 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CCOC1CCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC000054135170 170332221 /nfs/dbraw/zinc/33/22/21/170332221.db2.gz XPDARNCKNGQUNI-GFCCVEGCSA-N 1 0 226.364 1.629 10 0 BDAERO CCOCC(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063138303 170340667 /nfs/dbraw/zinc/34/06/67/170340667.db2.gz PLWHMNIUHITEES-LBPRGKRZSA-N 1 0 242.363 1.260 10 0 BDAERO CCOCC(=O)Nc1ccccc1[C@@H](C)[NH2+]C ZINC000035643113 170349483 /nfs/dbraw/zinc/34/94/83/170349483.db2.gz NIQHWYBBMFBXSC-SNVBAGLBSA-N 1 0 236.315 1.942 10 0 BDAERO CCOCCCNC(=O)CCCCCC[NH3+] ZINC000019424816 170376242 /nfs/dbraw/zinc/37/62/42/170376242.db2.gz PHVZRUGAUVGAFT-UHFFFAOYSA-N 1 0 230.352 1.438 10 0 BDAERO CCOCCCNC(=O)[C@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055123958 170378878 /nfs/dbraw/zinc/37/88/78/170378878.db2.gz PYUBTIFHFSANRS-WOPDTQHZSA-N 1 0 242.363 1.293 10 0 BDAERO CCOCCC[NH2+]CCN1C[C@@H](C)OC[C@@H]1C ZINC000053382381 170380883 /nfs/dbraw/zinc/38/08/83/170380883.db2.gz YSZJFQFHKXXYMS-QWHCGFSZSA-N 1 0 244.379 1.112 10 0 BDAERO CCOCCCn1cnnc1C1CC[NH2+]CC1 ZINC000098126474 170385469 /nfs/dbraw/zinc/38/54/69/170385469.db2.gz OUVUPYRGANSQEO-UHFFFAOYSA-N 1 0 238.335 1.172 10 0 BDAERO CCOCCN1CC[N@@H+](C(C)C)C[C@@H]1CC ZINC000105914973 170399854 /nfs/dbraw/zinc/39/98/54/170399854.db2.gz YTHNDSOUQNHLCW-ZDUSSCGKSA-N 1 0 228.380 1.828 10 0 BDAERO CN1C[C@@H](C[NH2+]CC2(C)CCC2)CC1=O ZINC000657697083 411581762 /nfs/dbraw/zinc/58/17/62/411581762.db2.gz ZSUSOXZQVDXWPP-SNVBAGLBSA-N 1 0 210.321 1.245 10 0 BDAERO COC[C@@H](C)[NH2+]C[C@H](OC)C1CCC1 ZINC000660483212 411591860 /nfs/dbraw/zinc/59/18/60/411591860.db2.gz CGKMAFKTOVPABO-KOLCDFICSA-N 1 0 201.310 1.426 10 0 BDAERO CC(C)[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)CCO1 ZINC000657810736 411602746 /nfs/dbraw/zinc/60/27/46/411602746.db2.gz JMOBNPLLROHEOH-PYNQCMFNSA-N 1 0 227.348 1.551 10 0 BDAERO OCC1CC([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000657813420 411603649 /nfs/dbraw/zinc/60/36/49/411603649.db2.gz XBCUCWZEJKRSSD-UHFFFAOYSA-N 1 0 231.299 1.423 10 0 BDAERO CC(C)n1cc(C[NH2+]C2CC(CO)C2)cn1 ZINC000657812716 411604305 /nfs/dbraw/zinc/60/43/05/411604305.db2.gz MCLFHPOQCLWWMV-UHFFFAOYSA-N 1 0 223.320 1.325 10 0 BDAERO CCOc1nccnc1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000630531956 411720180 /nfs/dbraw/zinc/72/01/80/411720180.db2.gz DNDMWUGSDVOSGD-UWVGGRQHSA-N 1 0 236.319 1.428 10 0 BDAERO CCOc1nccnc1NC[C@H]1CCC[NH2+]C1 ZINC000516264296 411720846 /nfs/dbraw/zinc/72/08/46/411720846.db2.gz AZDORCYYADQHFY-JTQLQIEISA-N 1 0 236.319 1.287 10 0 BDAERO CC[C@](C)(O)C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661545258 411798950 /nfs/dbraw/zinc/79/89/50/411798950.db2.gz UMLLURIPALFQIH-FOGDFJRCSA-N 1 0 213.321 1.304 10 0 BDAERO CC[C@](C)(O)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661630386 411823674 /nfs/dbraw/zinc/82/36/74/411823674.db2.gz ZWTKETDQYBNZEF-NHCYSSNCSA-N 1 0 215.337 1.096 10 0 BDAERO CC[C@@H](C)N(Cc1cccnc1)C(=O)CC[NH3+] ZINC000033465561 170731610 /nfs/dbraw/zinc/73/16/10/170731610.db2.gz ZKNMLBALIMZCCW-LLVKDONJSA-N 1 0 235.331 1.558 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2ccnc(N)c2)CC1 ZINC000616687260 411858517 /nfs/dbraw/zinc/85/85/17/411858517.db2.gz QWRGJABWRADNLN-NSHDSACASA-N 1 0 221.304 1.447 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2c[nH]nc2N)C1 ZINC000616621834 411860294 /nfs/dbraw/zinc/86/02/94/411860294.db2.gz ZQIZCOZKYLMSKM-SECBINFHSA-N 1 0 222.336 1.970 10 0 BDAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cc(N)n[nH]1 ZINC000616596560 411862181 /nfs/dbraw/zinc/86/21/81/411862181.db2.gz AJZCQIFUWUDBFG-JTQLQIEISA-N 1 0 238.335 1.554 10 0 BDAERO C[N@@H+]1CCC[C@H](c2ccnc(N)c2)CC1 ZINC000616600512 411894339 /nfs/dbraw/zinc/89/43/39/411894339.db2.gz BTPZUMPCWNAUBM-JTQLQIEISA-N 1 0 205.305 1.863 10 0 BDAERO C[N@@H+]1CCOCC[C@@H]1c1ccc(N)nc1 ZINC000616656487 411897506 /nfs/dbraw/zinc/89/75/06/411897506.db2.gz VYZQUEXXWGYVRV-SNVBAGLBSA-N 1 0 207.277 1.057 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccnc(N)c1 ZINC000616598840 411872749 /nfs/dbraw/zinc/87/27/49/411872749.db2.gz SRQZCGQHOYPEJN-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000324471309 487621044 /nfs/dbraw/zinc/62/10/44/487621044.db2.gz HBGOJMMDLOBCLE-STQMWFEESA-N 1 0 243.391 1.924 10 0 BDAERO CC[C@@H]([NH3+])Cc1ccccc1OCC(=O)OC ZINC000037724589 170866174 /nfs/dbraw/zinc/86/61/74/170866174.db2.gz DFJMBXGFPHLXEM-LLVKDONJSA-N 1 0 237.299 1.518 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O)c1cc(OC)ccc1OC ZINC000032015015 170866858 /nfs/dbraw/zinc/86/68/58/170866858.db2.gz GIZGICQUTNOBON-PWSUYJOCSA-N 1 0 225.288 1.475 10 0 BDAERO CC[C@@H](NC(=O)[C@@H](C)C[NH3+])c1cccs1 ZINC000054345294 170881242 /nfs/dbraw/zinc/88/12/42/170881242.db2.gz ZMGQFPHLLJEATM-DTWKUNHWSA-N 1 0 226.345 1.910 10 0 BDAERO CC[C@@H]([NH2+]CCC(=O)N(C)C)C(C)(C)C ZINC000336770799 170892843 /nfs/dbraw/zinc/89/28/43/170892843.db2.gz VXHSVLIGCKBJHO-SNVBAGLBSA-N 1 0 214.353 1.879 10 0 BDAERO OCC1CC(Nc2cc[nH+]c3ccccc23)C1 ZINC000664644042 412004887 /nfs/dbraw/zinc/00/48/87/412004887.db2.gz BCMFAIRPVFSCAZ-UHFFFAOYSA-N 1 0 228.295 1.840 10 0 BDAERO CC[C@@H](c1cccs1)N1C[C@H]([NH3+])CC1=O ZINC000049531924 170955121 /nfs/dbraw/zinc/95/51/21/170955121.db2.gz XQNFPMNQLMLXSV-BDAKNGLRSA-N 1 0 224.329 1.759 10 0 BDAERO CO[C@H](CN[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662265931 412058627 /nfs/dbraw/zinc/05/86/27/412058627.db2.gz UNJNDJBHKWQUGW-QWHCGFSZSA-N 1 0 226.364 1.533 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)N1CCOCC1 ZINC000309458588 171044425 /nfs/dbraw/zinc/04/44/25/171044425.db2.gz NFLFETIEVCZMHS-UPJWGTAASA-N 1 0 226.364 1.485 10 0 BDAERO CC[C@@H]1CN(C(=O)OC(C)(C)C)CCC[NH2+]1 ZINC000082350132 171067172 /nfs/dbraw/zinc/06/71/72/171067172.db2.gz IUSNCTPXVURNKM-SNVBAGLBSA-N 1 0 228.336 1.995 10 0 BDAERO CC[C@@H]1C[N@H+](CCCCCO)[C@H](CC)CN1 ZINC000083117822 171079685 /nfs/dbraw/zinc/07/96/85/171079685.db2.gz XIYOHZXPFHUEBS-CHWSQXEVSA-N 1 0 228.380 1.611 10 0 BDAERO CC[C@@H]1CN(c2nc(C)cs2)CC[NH2+]1 ZINC000083346772 171097603 /nfs/dbraw/zinc/09/76/03/171097603.db2.gz LKPFXHQCTHSNMD-SECBINFHSA-N 1 0 211.334 1.640 10 0 BDAERO CC[C@@H]1CN([C@]2(C[NH3+])CCCSC2)CCO1 ZINC000061590045 171097803 /nfs/dbraw/zinc/09/78/03/171097803.db2.gz RWSSZYKCAYSREB-NEPJUHHUSA-N 1 0 244.404 1.322 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccon1 ZINC000174973319 171098747 /nfs/dbraw/zinc/09/87/47/171098747.db2.gz LKFPOBMGNHHMMM-GHMZBOCLSA-N 1 0 249.314 1.373 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccnc1 ZINC000082934999 171100798 /nfs/dbraw/zinc/10/07/98/171100798.db2.gz KAEWIZQSIYXNNQ-WCQYABFASA-N 1 0 219.332 1.654 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H](C)COC ZINC000083085043 171102213 /nfs/dbraw/zinc/10/22/13/171102213.db2.gz QSDNGTQWQKNYQY-YNEHKIRRSA-N 1 0 228.380 1.730 10 0 BDAERO CC[C@H](CC(F)F)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000662276233 412069098 /nfs/dbraw/zinc/06/90/98/412069098.db2.gz HMZKEASJLDPVPA-BBBLOLIVSA-N 1 0 220.307 1.947 10 0 BDAERO CC[C@@](C)(C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000054660273 171166859 /nfs/dbraw/zinc/16/68/59/171166859.db2.gz NFDHGBJQGPEDGC-ZJUUUORDSA-N 1 0 219.350 1.057 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339750736 171177644 /nfs/dbraw/zinc/17/76/44/171177644.db2.gz BZPOOPXNYOPBNP-VXGBXAGGSA-N 1 0 215.337 1.242 10 0 BDAERO CC[C@@]1(C(=O)OC2CCOCC2)CCC[NH2+]C1 ZINC000062871394 171197150 /nfs/dbraw/zinc/19/71/50/171197150.db2.gz RVXBGHISSVWZLD-CYBMUJFWSA-N 1 0 241.331 1.488 10 0 BDAERO CC[C@@]1(C(=O)Nc2ccn(C)n2)CCC[NH2+]C1 ZINC000062855911 171197324 /nfs/dbraw/zinc/19/73/24/171197324.db2.gz MDOYIKNWIUNLNV-GFCCVEGCSA-N 1 0 236.319 1.138 10 0 BDAERO CC[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1N ZINC000037273392 171308700 /nfs/dbraw/zinc/30/87/00/171308700.db2.gz LKZDNABTRLNRBS-VIFPVBQESA-N 1 0 235.331 1.598 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+]CCc1ccncc1 ZINC000038014550 171322419 /nfs/dbraw/zinc/32/24/19/171322419.db2.gz AIQBGJUSGCNQTB-LBPRGKRZSA-N 1 0 249.358 1.519 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000035735680 171332131 /nfs/dbraw/zinc/33/21/31/171332131.db2.gz WFXPKUWIORRKGT-YFKTTZPYSA-N 1 0 242.363 1.447 10 0 BDAERO CC[C@H](C)[NH2+]Cc1nc2ccccc2n1CCO ZINC000037900773 171344152 /nfs/dbraw/zinc/34/41/52/171344152.db2.gz VWEPKXRKVCMUGC-NSHDSACASA-N 1 0 247.342 1.917 10 0 BDAERO CC[C@H](C)[NH2+][C@@H]1CCCn2nc(COC)nc21 ZINC000125308590 171346975 /nfs/dbraw/zinc/34/69/75/171346975.db2.gz DLZJXCXCMVNHDT-VHSXEESVSA-N 1 0 238.335 1.648 10 0 BDAERO CC[C@H](C)[NH2+][C@]1(CO)CCCSC1 ZINC000061590868 171349427 /nfs/dbraw/zinc/34/94/27/171349427.db2.gz QHAOKFHLUKSZKX-UWVGGRQHSA-N 1 0 203.351 1.633 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790291 171365511 /nfs/dbraw/zinc/36/55/11/171365511.db2.gz RHHMXWYRZLDZNM-QJPTWQEYSA-N 1 0 214.353 1.341 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CN1CCCOCC1 ZINC000061934789 171396530 /nfs/dbraw/zinc/39/65/30/171396530.db2.gz MQBMDBAEGGDGPN-WDEREUQCSA-N 1 0 200.326 1.082 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1cccs1 ZINC000662339753 412108551 /nfs/dbraw/zinc/10/85/51/412108551.db2.gz OHUSLFKGEAECGH-DTWKUNHWSA-N 1 0 226.345 1.923 10 0 BDAERO CC[C@H](C[NH3+])n1nnc(-c2ccccc2)n1 ZINC000052574639 171431224 /nfs/dbraw/zinc/43/12/24/171431224.db2.gz XWCRPDAZMVCOSD-SNVBAGLBSA-N 1 0 217.276 1.250 10 0 BDAERO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1cccs1 ZINC000662449230 412178401 /nfs/dbraw/zinc/17/84/01/412178401.db2.gz UAWBEMDYYDVCCW-CIUDSAMLSA-N 1 0 224.329 1.663 10 0 BDAERO CC[C@H]([NH3+])Cc1nc(-c2cnn(C)c2)cs1 ZINC000054184407 171486590 /nfs/dbraw/zinc/48/65/90/171486590.db2.gz QQGYYFWEDYYYJF-VIFPVBQESA-N 1 0 236.344 1.823 10 0 BDAERO CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)n1cncn1 ZINC000043028735 171487151 /nfs/dbraw/zinc/48/71/51/171487151.db2.gz KKBNRLJYIGTVLT-QWHCGFSZSA-N 1 0 246.314 1.613 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000662515812 412201207 /nfs/dbraw/zinc/20/12/07/412201207.db2.gz XYIDBBNAXLPKPZ-BDAKNGLRSA-N 1 0 225.292 1.158 10 0 BDAERO CC[C@H]([NH2+]CCC(=O)N(C)C)C(C)(C)C ZINC000336770798 171518652 /nfs/dbraw/zinc/51/86/52/171518652.db2.gz VXHSVLIGCKBJHO-JTQLQIEISA-N 1 0 214.353 1.879 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC[C@@H](CCF)C1 ZINC000662689749 412266862 /nfs/dbraw/zinc/26/68/62/412266862.db2.gz XEACIHJDKUCGRX-WDEREUQCSA-N 1 0 228.311 1.194 10 0 BDAERO C[C@@]1(C(=O)NCC2=CCCC2)CCCC[NH2+]1 ZINC000662709330 412278391 /nfs/dbraw/zinc/27/83/91/412278391.db2.gz YOOMZGWNRPVIFD-ZDUSSCGKSA-N 1 0 222.332 1.745 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000662711368 412279949 /nfs/dbraw/zinc/27/99/49/412279949.db2.gz ALXRJHQYTASMEA-ZYHUDNBSSA-N 1 0 224.348 1.633 10 0 BDAERO CC[C@H]1CCCCN1S(=O)(=O)CCCC[NH3+] ZINC000020180166 171607696 /nfs/dbraw/zinc/60/76/96/171607696.db2.gz IFTAGBVPVNAMHM-NSHDSACASA-N 1 0 248.392 1.320 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cc(COC)cs1 ZINC000662561975 412220298 /nfs/dbraw/zinc/22/02/98/412220298.db2.gz UOBISSNCIXNJLM-QMMMGPOBSA-N 1 0 242.344 1.232 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1[NH3+] ZINC000662573017 412224974 /nfs/dbraw/zinc/22/49/74/412224974.db2.gz QFPYDZMWNJQURB-CMPLNLGQSA-N 1 0 236.359 1.762 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)c1ccccn1 ZINC000662606009 412237967 /nfs/dbraw/zinc/23/79/67/412237967.db2.gz OMZPNUISABRGFJ-VXGBXAGGSA-N 1 0 249.358 1.675 10 0 BDAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000662855489 412325509 /nfs/dbraw/zinc/32/55/09/412325509.db2.gz VERMNHGZIMBQOK-QWRGUYRKSA-N 1 0 242.363 1.163 10 0 BDAERO CC[C@H]1Cc2[nH]c(=S)sc2C[NH2+]1 ZINC000045806069 171680814 /nfs/dbraw/zinc/68/08/14/171680814.db2.gz LBHUIHWQSKIZAW-YFKPBYRVSA-N 1 0 200.332 1.856 10 0 BDAERO CCCOc1nccnc1NCC12CC(C1)C[NH2+]2 ZINC000630519797 412358916 /nfs/dbraw/zinc/35/89/16/412358916.db2.gz YZSKCLCJLRHUFY-UHFFFAOYSA-N 1 0 248.330 1.429 10 0 BDAERO CC[C@]1(C)OC[C@H](CSC(N)=[NH2+])O1 ZINC000039100908 171722926 /nfs/dbraw/zinc/72/29/26/171722926.db2.gz RXZLZYPRCHRNQH-HTRCEHHLSA-N 1 0 204.295 1.155 10 0 BDAERO CN(C(=O)[C@H]1CC12CC2)[C@@H](C[NH3+])C(F)(F)F ZINC000662985861 412363391 /nfs/dbraw/zinc/36/33/91/412363391.db2.gz CIVINFKIBKOTFJ-RQJHMYQMSA-N 1 0 236.237 1.135 10 0 BDAERO OCc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000133041885 412392342 /nfs/dbraw/zinc/39/23/42/412392342.db2.gz MSFNBXBDCVBVPI-AWEZNQCLSA-N 1 0 235.327 1.838 10 0 BDAERO CC(C)c1nsc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663273740 412404128 /nfs/dbraw/zinc/40/41/28/412404128.db2.gz HDXCRCWVZLBNDJ-UHFFFAOYSA-N 1 0 238.360 1.825 10 0 BDAERO CCCc1nccnc1NC[C@@H](C)[NH2+]CC ZINC000663272359 412404486 /nfs/dbraw/zinc/40/44/86/412404486.db2.gz LWKLQGQDVDDIAK-SNVBAGLBSA-N 1 0 222.336 1.839 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nc2ccccc2n1C ZINC000663278605 412407444 /nfs/dbraw/zinc/40/74/44/412407444.db2.gz KSDSRNJAWPFDGX-SECBINFHSA-N 1 0 218.304 1.593 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ncnc2c1CCCC2 ZINC000663278343 412407500 /nfs/dbraw/zinc/40/75/00/412407500.db2.gz GNKWNJOFPLFQQH-VIFPVBQESA-N 1 0 220.320 1.375 10 0 BDAERO CCc1ccc(OC)c(CNC(=O)CC[NH3+])c1 ZINC000057527831 171825496 /nfs/dbraw/zinc/82/54/96/171825496.db2.gz QQDKHGKEJIMPFN-UHFFFAOYSA-N 1 0 236.315 1.223 10 0 BDAERO CCc1ccc(OCC[C@H](O)C[NH3+])cc1 ZINC000019668498 171827395 /nfs/dbraw/zinc/82/73/95/171827395.db2.gz BSJWJRKPCXCJPD-NSHDSACASA-N 1 0 209.289 1.338 10 0 BDAERO CCc1ccc([C@@H]([NH2+]C)[C@@H]2COCCO2)s1 ZINC000055299255 171834660 /nfs/dbraw/zinc/83/46/60/171834660.db2.gz SJRHJUHQEQBYQO-JQWIXIFHSA-N 1 0 241.356 1.986 10 0 BDAERO CCc1ccc([C@H]2NC(=O)CC[C@@H]2[NH3+])cc1 ZINC000057499413 171845681 /nfs/dbraw/zinc/84/56/81/171845681.db2.gz BJSVICYNFJSHKK-WCQYABFASA-N 1 0 218.300 1.527 10 0 BDAERO CCc1cccc(OCC[C@@H](O)C[NH3+])c1 ZINC000019668492 171866327 /nfs/dbraw/zinc/86/63/27/171866327.db2.gz TWYQARAHEFGWKK-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO CCc1nc2ccccc2n1[C@@H]1C[NH2+]C[C@@H]1O ZINC000104253798 172013769 /nfs/dbraw/zinc/01/37/69/172013769.db2.gz UOBXQDYDTMLYJE-NEPJUHHUSA-N 1 0 231.299 1.104 10 0 BDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CC)CC2 ZINC000129451437 172014849 /nfs/dbraw/zinc/01/48/49/172014849.db2.gz BZPCVAJSFHQGSA-ZJUUUORDSA-N 1 0 222.336 1.543 10 0 BDAERO CCc1nnc(CN2CCC([C@H](C)[NH3+])CC2)o1 ZINC000104140783 172048895 /nfs/dbraw/zinc/04/88/95/172048895.db2.gz SPRSILPDNBLSBZ-VIFPVBQESA-N 1 0 238.335 1.191 10 0 BDAERO CCc1nnc(N[C@@H]2CCC[NH2+][C@H]2C)nc1CC ZINC000097838134 172060190 /nfs/dbraw/zinc/06/01/90/172060190.db2.gz AGTXLMKLANNXHF-JOYOIKCWSA-N 1 0 249.362 1.549 10 0 BDAERO CCc1noc([C@@]2([NH3+])CCC[C@@H](C)C2)n1 ZINC000041035627 172090546 /nfs/dbraw/zinc/09/05/46/172090546.db2.gz NDUBZZUOXJPAIU-LDYMZIIASA-N 1 0 209.293 1.996 10 0 BDAERO CCc1noc([C@H]2C[NH+]3CCC2CC3)n1 ZINC000034345809 172092057 /nfs/dbraw/zinc/09/20/57/172092057.db2.gz WWYPODADJAYRCD-VIFPVBQESA-N 1 0 207.277 1.441 10 0 BDAERO CCn1c(C)nnc1C1([NH3+])CCCCC1 ZINC000042029696 172138958 /nfs/dbraw/zinc/13/89/58/172138958.db2.gz QGTUCBFBOPQOJC-UHFFFAOYSA-N 1 0 208.309 1.725 10 0 BDAERO CCn1c(C[NH2+]C)nc2c1cccc2F ZINC000037442662 172144659 /nfs/dbraw/zinc/14/46/59/172144659.db2.gz JBJQTTITHRBPNE-UHFFFAOYSA-N 1 0 207.252 1.915 10 0 BDAERO CCn1c2cc(F)ccc2nc1CC[NH3+] ZINC000052124760 172144764 /nfs/dbraw/zinc/14/47/64/172144764.db2.gz GUHMMRFYRGLXGS-UHFFFAOYSA-N 1 0 207.252 1.697 10 0 BDAERO CCn1cc(CN2CC[C@@H](C)C[C@@H]2C[NH3+])cn1 ZINC000234206743 172163916 /nfs/dbraw/zinc/16/39/16/172163916.db2.gz YAYZOUONSZMXGD-DGCLKSJQSA-N 1 0 236.363 1.462 10 0 BDAERO CCn1cc(CN2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000051360265 172165608 /nfs/dbraw/zinc/16/56/08/172165608.db2.gz AKNVFSIYJUALNZ-KBPBESRZSA-N 1 0 248.374 1.619 10 0 BDAERO CCn1cc(C[NH2+]CCn2cc(C)cn2)cn1 ZINC000112098998 172171122 /nfs/dbraw/zinc/17/11/22/172171122.db2.gz RDJWCDODMSZRBN-UHFFFAOYSA-N 1 0 233.319 1.198 10 0 BDAERO CCn1cc(C[C@@H]([NH2+]C)c2ncccn2)cn1 ZINC000050542930 172176626 /nfs/dbraw/zinc/17/66/26/172176626.db2.gz YCKUQVMRJFUIJM-LLVKDONJSA-N 1 0 231.303 1.196 10 0 BDAERO CCn1cc(C[C@H](Cc2cccnc2)[NH2+]C)cn1 ZINC000053131185 172176995 /nfs/dbraw/zinc/17/69/95/172176995.db2.gz MCZABEHABJSARA-AWEZNQCLSA-N 1 0 244.342 1.671 10 0 BDAERO CCn1cc(NC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000054240700 172185001 /nfs/dbraw/zinc/18/50/01/172185001.db2.gz MDQDWPMWBGGQQR-LLVKDONJSA-N 1 0 222.336 1.657 10 0 BDAERO CCn1cc([C@H]([NH3+])c2cccnc2)cn1 ZINC000043469145 172199378 /nfs/dbraw/zinc/19/93/78/172199378.db2.gz GVEZGJCBUMAVFS-LLVKDONJSA-N 1 0 202.261 1.346 10 0 BDAERO CCn1cccc1C[NH2+]CCCn1ccnn1 ZINC000126643772 172207170 /nfs/dbraw/zinc/20/71/70/172207170.db2.gz DNWYJRDFEAFGRL-UHFFFAOYSA-N 1 0 233.319 1.279 10 0 BDAERO CCn1cccc1C[NH2+]CC(C)(C)C(=O)NC ZINC000230385177 172207657 /nfs/dbraw/zinc/20/76/57/172207657.db2.gz WERPHYFMUYBGLE-UHFFFAOYSA-N 1 0 237.347 1.370 10 0 BDAERO CCn1cccc1C[NH2+]CCCOCCOC ZINC000091023130 172207689 /nfs/dbraw/zinc/20/76/89/172207689.db2.gz FKDPKGSMGMJJCN-UHFFFAOYSA-N 1 0 240.347 1.651 10 0 BDAERO CCn1cccc1C[NH2+]CCC(=O)N(C)C ZINC000085608978 172208350 /nfs/dbraw/zinc/20/83/50/172208350.db2.gz HYVXUTFCZOFXQO-UHFFFAOYSA-N 1 0 223.320 1.076 10 0 BDAERO CCn1cccc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000228708235 172208834 /nfs/dbraw/zinc/20/88/34/172208834.db2.gz IAKNVUMCXUMCRL-WDEREUQCSA-N 1 0 210.321 1.615 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)C[S@@](C)=O ZINC000228975179 172209611 /nfs/dbraw/zinc/20/96/11/172209611.db2.gz NAYAQXUKDXQPTP-ZUZCIYMTSA-N 1 0 228.361 1.365 10 0 BDAERO CCn1ccnc(Oc2ccc(C[NH3+])cc2)c1=O ZINC000061770596 172213432 /nfs/dbraw/zinc/21/34/32/172213432.db2.gz ZAJSPHDOHNLNLE-UHFFFAOYSA-N 1 0 245.282 1.514 10 0 BDAERO CCn1ccnc(OCCC[NH2+]C(C)C)c1=O ZINC000061771791 172213959 /nfs/dbraw/zinc/21/39/59/172213959.db2.gz IPMQVRVZXFIUOW-UHFFFAOYSA-N 1 0 239.319 1.030 10 0 BDAERO CCn1ccnc1N1CCCC[C@H]1[C@@H](C)[NH2+]C ZINC000104413358 172225335 /nfs/dbraw/zinc/22/53/35/172225335.db2.gz GCQCFAKTHHUCPB-NEPJUHHUSA-N 1 0 236.363 1.870 10 0 BDAERO CCn1cc[nH+]c1N[C@@H](C)c1nncn1C ZINC000050614321 172227371 /nfs/dbraw/zinc/22/73/71/172227371.db2.gz KMBXXNOVPTZCTO-QMMMGPOBSA-N 1 0 220.280 1.205 10 0 BDAERO CN(C(=O)C1CC1)c1cccc(OCCC[NH3+])c1 ZINC000020225197 172298210 /nfs/dbraw/zinc/29/82/10/172298210.db2.gz AGSGGXDQHOBPIJ-UHFFFAOYSA-N 1 0 248.326 1.787 10 0 BDAERO CN(C(=O)[C@](C)([NH3+])C1CC1)[C@H]1CCSC1 ZINC000037478922 172335415 /nfs/dbraw/zinc/33/54/15/172335415.db2.gz SYGUWKPGOOTKCG-GXSJLCMTSA-N 1 0 228.361 1.078 10 0 BDAERO CN(C(=O)c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000037540975 172339931 /nfs/dbraw/zinc/33/99/31/172339931.db2.gz RNPGBFKFMKGEDA-LBPRGKRZSA-N 1 0 236.290 1.650 10 0 BDAERO CN(C)C(=O)CCN(CCC[NH3+])c1ccccc1 ZINC000037897720 172357373 /nfs/dbraw/zinc/35/73/73/172357373.db2.gz GWZUKOFABSBOSO-UHFFFAOYSA-N 1 0 249.358 1.320 10 0 BDAERO CN(C)C(=O)Nc1ccc(F)c(C[NH3+])c1 ZINC000082641575 172382514 /nfs/dbraw/zinc/38/25/14/172382514.db2.gz DDHLQQKUAUJBQD-UHFFFAOYSA-N 1 0 211.240 1.378 10 0 BDAERO CN(C)C(=O)[C@H](C[NH3+])Cc1ccc(F)c(F)c1 ZINC000050304620 172385593 /nfs/dbraw/zinc/38/55/93/172385593.db2.gz KXNZKTKNSGHHTL-VIFPVBQESA-N 1 0 242.269 1.170 10 0 BDAERO CN(C)C(=O)[C@H]1CCCN1c1ccccc1C[NH3+] ZINC000036796709 172385960 /nfs/dbraw/zinc/38/59/60/172385960.db2.gz FOLPBCJMOLRCDE-CYBMUJFWSA-N 1 0 247.342 1.202 10 0 BDAERO C[NH+](C)C(C)(C)CNc1ccnc(Cl)n1 ZINC000051850175 172398562 /nfs/dbraw/zinc/39/85/62/172398562.db2.gz FYNYDJNJXWXNQE-UHFFFAOYSA-N 1 0 228.727 1.882 10 0 BDAERO C[NH+](C)CCNCc1ccncc1Cl ZINC000083347680 172464733 /nfs/dbraw/zinc/46/47/33/172464733.db2.gz QHOGTMRAJILKRS-UHFFFAOYSA-N 1 0 213.712 1.386 10 0 BDAERO CN(C)c1cccc(OC[C@@H]2CC[NH2+]C2)c1 ZINC000051890699 172568046 /nfs/dbraw/zinc/56/80/46/172568046.db2.gz FAEYPDAXWTTXIA-LLVKDONJSA-N 1 0 220.316 1.741 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)c1cc(Cl)ncn1 ZINC000095070963 172827981 /nfs/dbraw/zinc/82/79/81/172827981.db2.gz YMMALYIPKMHXDH-MRVPVSSYSA-N 1 0 226.711 1.318 10 0 BDAERO CN(Cc1ccco1)[C@H]1CCCC[NH2+]C1 ZINC000054135030 172890579 /nfs/dbraw/zinc/89/05/79/172890579.db2.gz LZXIFJFDDJWOMP-NSHDSACASA-N 1 0 208.305 1.854 10 0 BDAERO CN(Cc1cscn1)c1ccc(C(N)=[NH2+])cn1 ZINC000042866065 172924149 /nfs/dbraw/zinc/92/41/49/172924149.db2.gz DAGMJQMYTOZLLN-UHFFFAOYSA-N 1 0 247.327 1.459 10 0 BDAERO C[NH+]1CCC(c2[nH]nc3c2CCCCN3)CC1 ZINC000003698309 173000753 /nfs/dbraw/zinc/00/07/53/173000753.db2.gz QBTKVTGSQVOKGX-UHFFFAOYSA-N 1 0 234.347 1.967 10 0 BDAERO C[NH+]1CCC(n2ncc3ccc(N)cc32)CC1 ZINC000011757211 173001250 /nfs/dbraw/zinc/00/12/50/173001250.db2.gz CVSZVMWODZDKQF-UHFFFAOYSA-N 1 0 230.315 1.885 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCCN1C ZINC000054243714 173009977 /nfs/dbraw/zinc/00/99/77/173009977.db2.gz LFKNCXJYNFKBHR-OKILXGFUSA-N 1 0 239.407 1.545 10 0 BDAERO C[N@@H+]1CCCN(c2cc(N)cc(F)c2)CC1 ZINC000037666631 173016467 /nfs/dbraw/zinc/01/64/67/173016467.db2.gz MXTMDTSOKHAZOQ-UHFFFAOYSA-N 1 0 223.295 1.550 10 0 BDAERO C[N@@H+]1CCCN(c2cccccc2=O)CC1 ZINC000027994684 173019509 /nfs/dbraw/zinc/01/95/09/173019509.db2.gz PAAYICWGOVKIDY-UHFFFAOYSA-N 1 0 218.300 1.189 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2cc(Cl)ncn2)C1 ZINC000048631320 173021186 /nfs/dbraw/zinc/02/11/86/173021186.db2.gz YENBFSOEOCHUJF-MRVPVSSYSA-N 1 0 226.711 1.636 10 0 BDAERO C[N@@H+]1CCC[C@H](CNc2ccncn2)C1 ZINC000044537829 173042578 /nfs/dbraw/zinc/04/25/78/173042578.db2.gz ZYIWCDYISWSTNG-SNVBAGLBSA-N 1 0 206.293 1.230 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000335596483 173101841 /nfs/dbraw/zinc/10/18/41/173101841.db2.gz OPJLQIBJALFXIB-NWDGAFQWSA-N 1 0 224.348 1.239 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000335596482 173108793 /nfs/dbraw/zinc/10/87/93/173108793.db2.gz OPJLQIBJALFXIB-NEPJUHHUSA-N 1 0 224.348 1.239 10 0 BDAERO CN1CC[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000042546670 173124782 /nfs/dbraw/zinc/12/47/82/173124782.db2.gz YEJWLNXURWICPS-OLZOCXBDSA-N 1 0 238.306 1.153 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cccnc2N2CCCC2)C1 ZINC000061985052 173125298 /nfs/dbraw/zinc/12/52/98/173125298.db2.gz GYGCKLRSPKJLSE-GFCCVEGCSA-N 1 0 246.358 1.798 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ncccc2N)C1 ZINC000037655373 173147099 /nfs/dbraw/zinc/14/70/99/173147099.db2.gz PUIKWSOVKQTGOJ-SECBINFHSA-N 1 0 206.293 1.027 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ccc(F)cc2N)C1 ZINC000037484607 173147377 /nfs/dbraw/zinc/14/73/77/173147377.db2.gz XWXVTMCBHPVIAV-SECBINFHSA-N 1 0 223.295 1.772 10 0 BDAERO C[N@@H+]1CC[C@H](Cn2cnc3cc(N)ccc32)C1 ZINC000052853029 173147428 /nfs/dbraw/zinc/14/74/28/173147428.db2.gz NMSTYDLECKXUDM-JTQLQIEISA-N 1 0 230.315 1.570 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2cc(N)cc(F)c2)C1 ZINC000042545080 173154914 /nfs/dbraw/zinc/15/49/14/173154914.db2.gz LCFKNLIHQJPYIO-JTQLQIEISA-N 1 0 209.268 1.524 10 0 BDAERO C[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC000066055006 173170497 /nfs/dbraw/zinc/17/04/97/173170497.db2.gz CLMSFAGMHIMNAJ-UHFFFAOYSA-N 1 0 205.183 1.416 10 0 BDAERO C[N@@H+]1CCc2ncc(Br)cc2C1 ZINC000083050521 173173475 /nfs/dbraw/zinc/17/34/75/173173475.db2.gz AZDTYYPJINYDCD-UHFFFAOYSA-N 1 0 227.105 1.832 10 0 BDAERO C[N@@H+]1C[C@](C)(O)[C@@H](O)C[C@@H]1c1ccccc1 ZINC000255967473 173199289 /nfs/dbraw/zinc/19/92/89/173199289.db2.gz CPDAVIZHKGVASM-AGIUHOORSA-N 1 0 221.300 1.175 10 0 BDAERO CN1ONc2c1ccc1c2CC[N+](O)=N1 ZINC000095933202 173204794 /nfs/dbraw/zinc/20/47/94/173204794.db2.gz DGTHUYOJVASOHN-UHFFFAOYSA-N 1 0 206.205 1.545 10 0 BDAERO CNC(=[NH2+])N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000052020010 173211261 /nfs/dbraw/zinc/21/12/61/173211261.db2.gz MKWZXNBKHJHIRM-MRVPVSSYSA-N 1 0 234.303 1.450 10 0 BDAERO CNC(=O)C[NH2+][C@H]1CCCc2sccc21 ZINC000061325643 173278636 /nfs/dbraw/zinc/27/86/36/173278636.db2.gz CANTXGWBNCZRHZ-VIFPVBQESA-N 1 0 224.329 1.461 10 0 BDAERO CNC(=O)COc1ccc(C)cc1[C@@H](C)[NH2+]C ZINC000035629592 173279331 /nfs/dbraw/zinc/27/93/31/173279331.db2.gz FOUVLBUWDGFJQM-SNVBAGLBSA-N 1 0 236.315 1.400 10 0 BDAERO CNC(=O)C[C@@H]([NH3+])c1ccccc1Cl ZINC000041226568 173281372 /nfs/dbraw/zinc/28/13/72/173281372.db2.gz DDEWKIRMKSNAGH-SECBINFHSA-N 1 0 212.680 1.476 10 0 BDAERO CNC(=O)Oc1cccc(C[NH+](C)C)c1 ZINC000001701193 173293394 /nfs/dbraw/zinc/29/33/94/173293394.db2.gz BSTOIHVNHUQFRS-UHFFFAOYSA-N 1 0 208.261 1.466 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000042561494 173295003 /nfs/dbraw/zinc/29/50/03/173295003.db2.gz KGEXDAMRDCBVBQ-QFWMXSHPSA-N 1 0 232.327 1.657 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000042213224 173302480 /nfs/dbraw/zinc/30/24/80/173302480.db2.gz DKWUFQPWIFWNAP-QWRGUYRKSA-N 1 0 220.316 1.514 10 0 BDAERO CNC(=O)c1cc(N[C@@H]2CCCC[C@@H]2[NH3+])ccn1 ZINC000038050754 173309960 /nfs/dbraw/zinc/30/99/60/173309960.db2.gz FXVVOPZJIBXLLU-WDEREUQCSA-N 1 0 248.330 1.123 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccoc1C ZINC000061318801 173317514 /nfs/dbraw/zinc/31/75/14/173317514.db2.gz DAUHOVOLQAFMEQ-UHFFFAOYSA-N 1 0 224.304 1.544 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(F)cc1 ZINC000061300199 173318179 /nfs/dbraw/zinc/31/81/79/173318179.db2.gz DJDRJQJFNFCBID-UHFFFAOYSA-N 1 0 210.252 1.762 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(C)o1 ZINC000061319306 173318521 /nfs/dbraw/zinc/31/85/21/173318521.db2.gz WSFYVNGBWZTKQV-UHFFFAOYSA-N 1 0 210.277 1.202 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1nc(C)c(C)s1 ZINC000061318849 173319138 /nfs/dbraw/zinc/31/91/38/173319138.db2.gz JIPMDDHIOOEPHJ-UHFFFAOYSA-N 1 0 227.333 1.696 10 0 BDAERO C[NH2+]C(C)(C)c1nnc(C2CCCC2)[nH]1 ZINC000061152003 173321561 /nfs/dbraw/zinc/32/15/61/173321561.db2.gz GOCLOAJWQNXOTN-UHFFFAOYSA-N 1 0 208.309 1.917 10 0 BDAERO C[NH2+]C1(c2nccs2)CCN(C)CC1 ZINC000041060379 173321737 /nfs/dbraw/zinc/32/17/37/173321737.db2.gz PBMJEBBCKIHCAO-UHFFFAOYSA-N 1 0 211.334 1.283 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C)o1 ZINC000262786367 173326878 /nfs/dbraw/zinc/32/68/78/173326878.db2.gz QQASUFRULNQDOL-SNVBAGLBSA-N 1 0 222.288 1.471 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C)o1 ZINC000262786366 173327118 /nfs/dbraw/zinc/32/71/18/173327118.db2.gz QQASUFRULNQDOL-JTQLQIEISA-N 1 0 222.288 1.471 10 0 BDAERO C[NH2+]CC(=O)NCCCc1ccc(Cl)s1 ZINC000077404393 173329287 /nfs/dbraw/zinc/32/92/87/173329287.db2.gz GTTKITSEADNRPR-UHFFFAOYSA-N 1 0 246.763 1.670 10 0 BDAERO C[NH2+]CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000037766725 173331287 /nfs/dbraw/zinc/33/12/87/173331287.db2.gz QXUPDIJQEMHAQH-MRVPVSSYSA-N 1 0 242.269 1.231 10 0 BDAERO C[NH2+]CC(=O)Nc1cccc(-c2cnco2)c1 ZINC000037768111 173333447 /nfs/dbraw/zinc/33/34/47/173333447.db2.gz KFCGLJLVZZSEHF-UHFFFAOYSA-N 1 0 231.255 1.500 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000037765644 173333930 /nfs/dbraw/zinc/33/39/30/173333930.db2.gz BOXRFYQLIQGHJP-UHFFFAOYSA-N 1 0 244.298 1.089 10 0 BDAERO C[NH2+]CC(=O)c1ccc(OC)c(OC)c1 ZINC000021298920 173336019 /nfs/dbraw/zinc/33/60/19/173336019.db2.gz CKCVYNURNIMPNJ-UHFFFAOYSA-N 1 0 209.245 1.106 10 0 BDAERO C[NH2+]CC(=O)c1ccc(Cl)c(F)c1 ZINC000082913432 173336648 /nfs/dbraw/zinc/33/66/48/173336648.db2.gz WIQIPQIKJPQKHB-UHFFFAOYSA-N 1 0 201.628 1.881 10 0 BDAERO C[NH2+]CC1CCN(c2ccc(C)cn2)CC1 ZINC000053664056 173338878 /nfs/dbraw/zinc/33/88/78/173338878.db2.gz NOPWNEYEQHEOMZ-UHFFFAOYSA-N 1 0 219.332 1.826 10 0 BDAERO C[NH2+]CCC(=O)N(C)Cc1csc(C)n1 ZINC000044609823 173339317 /nfs/dbraw/zinc/33/93/17/173339317.db2.gz NXHPNYPEQXFSJO-UHFFFAOYSA-N 1 0 227.333 1.019 10 0 BDAERO C[NH2+]CCC(=O)NCc1ccc(OC)c(C)c1 ZINC000077372832 173340961 /nfs/dbraw/zinc/34/09/61/173340961.db2.gz FXKHKZXKHLCUBG-UHFFFAOYSA-N 1 0 236.315 1.229 10 0 BDAERO C[NH2+]CCC(=O)N[C@H](C)c1cccc(C)c1 ZINC000077331346 173341303 /nfs/dbraw/zinc/34/13/03/173341303.db2.gz QPPJNWOKZZOXAV-LLVKDONJSA-N 1 0 220.316 1.782 10 0 BDAERO C[NH2+]CCC(=O)OCc1cccc(C)c1 ZINC000077300300 173341871 /nfs/dbraw/zinc/34/18/71/173341871.db2.gz VWUKXPSUCBNYDS-UHFFFAOYSA-N 1 0 207.273 1.648 10 0 BDAERO C[NH2+]CCCCc1ccc(S(C)(=O)=O)cc1 ZINC000098126663 173346233 /nfs/dbraw/zinc/34/62/33/173346233.db2.gz LENLWLVGMGZFGR-UHFFFAOYSA-N 1 0 241.356 1.632 10 0 BDAERO C[NH2+]CCCNC(=O)C[C@@H](C)C(C)C ZINC000121721690 173347978 /nfs/dbraw/zinc/34/79/78/173347978.db2.gz UCJCMCQLDSRAII-SNVBAGLBSA-N 1 0 200.326 1.394 10 0 BDAERO C[NH2+]CCCc1nnc(Cc2ccccc2)o1 ZINC000050616799 173351058 /nfs/dbraw/zinc/35/10/58/173351058.db2.gz ZWOKJIVMIQYGEZ-UHFFFAOYSA-N 1 0 231.299 1.812 10 0 BDAERO C[NH2+]CCCc1nc2ccccc2n1CCOC ZINC000052125473 173351064 /nfs/dbraw/zinc/35/10/64/173351064.db2.gz PTAGCMXHMILZAU-UHFFFAOYSA-N 1 0 247.342 1.835 10 0 BDAERO C[NH2+]CCCc1nnc(-c2ccc(OC)cc2)o1 ZINC000050616858 173351400 /nfs/dbraw/zinc/35/14/00/173351400.db2.gz KBWYJNNDHQQTAT-UHFFFAOYSA-N 1 0 247.298 1.897 10 0 BDAERO C[NH2+]CCN(C)CCc1cc(F)ccc1F ZINC000077342264 173353054 /nfs/dbraw/zinc/35/30/54/173353054.db2.gz GSLHOMKKMXYMGE-UHFFFAOYSA-N 1 0 228.286 1.659 10 0 BDAERO C[NH2+]CCN(C)CCc1ccccc1C ZINC000077299972 173353136 /nfs/dbraw/zinc/35/31/36/173353136.db2.gz CNQCXJDEGRZBSB-UHFFFAOYSA-N 1 0 206.333 1.689 10 0 BDAERO C[NH2+]CCN(C)c1cc(F)ccc1OC ZINC000082595212 173353867 /nfs/dbraw/zinc/35/38/67/173353867.db2.gz GCSPBCFNKRPASC-UHFFFAOYSA-N 1 0 212.268 1.490 10 0 BDAERO C[NH2+]CCOCCc1ccc(F)cc1F ZINC000077306955 173357184 /nfs/dbraw/zinc/35/71/84/173357184.db2.gz YMAQWWWPDUVUHC-UHFFFAOYSA-N 1 0 215.243 1.743 10 0 BDAERO C[NH2+]CCSc1ncnc2ccccc21 ZINC000042409037 173357520 /nfs/dbraw/zinc/35/75/20/173357520.db2.gz PJFXHZYZLCUZHL-UHFFFAOYSA-N 1 0 219.313 1.941 10 0 BDAERO C[NH2+]CCOc1ncnc2ccsc21 ZINC000051866800 173357679 /nfs/dbraw/zinc/35/76/79/173357679.db2.gz VCZGDZXKUIBNMY-UHFFFAOYSA-N 1 0 209.274 1.290 10 0 BDAERO C[NH2+]CCOc1cccc2c1OC(C)(C)C2 ZINC000020525134 173357944 /nfs/dbraw/zinc/35/79/44/173357944.db2.gz FZOJXWWXBHJIMP-UHFFFAOYSA-N 1 0 221.300 1.998 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1ccc(C)cc1C ZINC000077373160 173358390 /nfs/dbraw/zinc/35/83/90/173358390.db2.gz RCLYLDUCZQQQHL-CYBMUJFWSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075942 173358819 /nfs/dbraw/zinc/35/88/19/173358819.db2.gz BFGCSPMSQGLQIH-JTQLQIEISA-N 1 0 228.336 1.853 10 0 BDAERO C[NH2+]CCc1nc2cc(C)ccc2n1C ZINC000043598756 173360901 /nfs/dbraw/zinc/36/09/01/173360901.db2.gz KPPQUXADYLZWIE-UHFFFAOYSA-N 1 0 203.289 1.644 10 0 BDAERO C[NH2+]CCc1nc2cc(OC)ccc2n1C ZINC000074297958 173361110 /nfs/dbraw/zinc/36/11/10/173361110.db2.gz PFVUUMFJWOSZAM-UHFFFAOYSA-N 1 0 219.288 1.344 10 0 BDAERO C[NH2+]CCc1noc(C2(c3ccccc3)CC2)n1 ZINC000061618607 173361683 /nfs/dbraw/zinc/36/16/83/173361683.db2.gz XFGAFFYDRJZHSE-UHFFFAOYSA-N 1 0 243.310 1.911 10 0 BDAERO C[NH2+]C[C@@H](C)COc1ccc2c(c1)OCO2 ZINC000041242242 173363752 /nfs/dbraw/zinc/36/37/52/173363752.db2.gz GXQGGWPEDAEEPK-SECBINFHSA-N 1 0 223.272 1.650 10 0 BDAERO C[NH2+]C[C@@H](C)CNc1ncncc1Cl ZINC000163695761 173364295 /nfs/dbraw/zinc/36/42/95/173364295.db2.gz FXIHSOKGLMFXMR-SSDOTTSWSA-N 1 0 214.700 1.397 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ncnc2ccsc21 ZINC000051867546 173364848 /nfs/dbraw/zinc/36/48/48/173364848.db2.gz WEKWMAJGBICGPE-SSDOTTSWSA-N 1 0 223.301 1.678 10 0 BDAERO C[NH2+]C[C@@H](C)O[C@H](C)C(=O)NC1CCCCC1 ZINC000051842247 173365013 /nfs/dbraw/zinc/36/50/13/173365013.db2.gz RIPNUOILMUOMLR-GHMZBOCLSA-N 1 0 242.363 1.448 10 0 BDAERO C[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000032012234 173366533 /nfs/dbraw/zinc/36/65/33/173366533.db2.gz ZYARSXVTYUNEAB-GFCCVEGCSA-N 1 0 209.289 1.727 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ncnc3ccccc32)C1 ZINC000071147995 173370781 /nfs/dbraw/zinc/37/07/81/173370781.db2.gz MCZJSSYRVCZVHF-NSHDSACASA-N 1 0 242.326 1.676 10 0 BDAERO C[NH2+]C[C@H](C)N1C[C@H](C)OC(C)(C)C1 ZINC000052543376 173375928 /nfs/dbraw/zinc/37/59/28/173375928.db2.gz LIXCPIZRMGLHBY-UWVGGRQHSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+]C[C@H](C)COc1cccc(OC)c1 ZINC000041218725 173375961 /nfs/dbraw/zinc/37/59/61/173375961.db2.gz PUPNEWMNIFPLLW-JTQLQIEISA-N 1 0 209.289 1.930 10 0 BDAERO C[NH2+]C[C@H](O)Cc1cc(C(C)C)ccc1OC ZINC000041278998 173376528 /nfs/dbraw/zinc/37/65/28/173376528.db2.gz YBMCSPFCHZIEFI-CYBMUJFWSA-N 1 0 237.343 1.941 10 0 BDAERO C[NH2+]C[C@H](O)COc1ccc(C)c(C)c1 ZINC000019864663 173376636 /nfs/dbraw/zinc/37/66/36/173376636.db2.gz KHWHIJCHKORAQQ-NSHDSACASA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+]C[C@H](O)Cc1ccc(F)cc1F ZINC000071508143 173376658 /nfs/dbraw/zinc/37/66/58/173376658.db2.gz LJYCOCHJANJAKE-SECBINFHSA-N 1 0 201.216 1.088 10 0 BDAERO C[NH2+]C[C@H](O)c1c[nH]c2c1cccc2C ZINC000071487913 173376769 /nfs/dbraw/zinc/37/67/69/173376769.db2.gz TXRCTPCPAJPRDN-NSHDSACASA-N 1 0 204.273 1.729 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1Cc1ncccn1 ZINC000054460291 173377854 /nfs/dbraw/zinc/37/78/54/173377854.db2.gz UYGLNNMICYAPCP-LLVKDONJSA-N 1 0 220.320 1.051 10 0 BDAERO C[NH2+]C[C@H](O[C@H]1CCOC1)c1ccc(F)cc1 ZINC000104115853 173378101 /nfs/dbraw/zinc/37/81/01/173378101.db2.gz UPZRLGYQUFQEFQ-STQMWFEESA-N 1 0 239.290 1.892 10 0 BDAERO C[NH2+]C[C@](C)(O)c1cc(Cl)ccc1OC ZINC000036162200 173383121 /nfs/dbraw/zinc/38/31/21/173383121.db2.gz VRIQAFDMGSNBFO-NSHDSACASA-N 1 0 229.707 1.776 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2ncnc3ccccc32)C1 ZINC000071147997 173382585 /nfs/dbraw/zinc/38/25/85/173382585.db2.gz MCZJSSYRVCZVHF-LLVKDONJSA-N 1 0 242.326 1.676 10 0 BDAERO C[NH2+]C[C@H]1CC[C@@H](Cn2cnc(C)c2C)O1 ZINC000052593685 173382708 /nfs/dbraw/zinc/38/27/08/173382708.db2.gz HIQAXJUQAXXJAQ-NEPJUHHUSA-N 1 0 223.320 1.267 10 0 BDAERO C[NH2+]C[C@H]1CN(c2cc(C)cc(C)c2)C(=O)O1 ZINC000077369128 173382851 /nfs/dbraw/zinc/38/28/51/173382851.db2.gz AUXQLLFPIQUOLM-LBPRGKRZSA-N 1 0 234.299 1.848 10 0 BDAERO C[NH2+]C[C@](C)(O)Cc1ccc(Cl)cc1 ZINC000019684525 173383600 /nfs/dbraw/zinc/38/36/00/173383600.db2.gz QCBQUKFTOGAKMK-LLVKDONJSA-N 1 0 213.708 1.853 10 0 BDAERO C[NH2+]Cc1c(C)nc(Cc2cccnc2)nc1C ZINC000054854013 173384277 /nfs/dbraw/zinc/38/42/77/173384277.db2.gz LIKWUVUMQMXVQP-UHFFFAOYSA-N 1 0 242.326 1.799 10 0 BDAERO C[NH2+]Cc1c(C)nn(Cc2cscn2)c1C ZINC000036868504 173384962 /nfs/dbraw/zinc/38/49/62/173384962.db2.gz YEXWKZBPBVZIME-UHFFFAOYSA-N 1 0 236.344 1.724 10 0 BDAERO C[NH2+]Cc1c(C)nn([C@H]2CCCC[C@H]2O)c1C ZINC000054599980 173385431 /nfs/dbraw/zinc/38/54/31/173385431.db2.gz DCFMGSBTXFLEIZ-QWHCGFSZSA-N 1 0 237.347 1.695 10 0 BDAERO C[NH2+]Cc1cc(C)nc(C[C@@H]2CCCO2)n1 ZINC000054830984 173386262 /nfs/dbraw/zinc/38/62/62/173386262.db2.gz WFWJMBRNNHSXBP-NSHDSACASA-N 1 0 221.304 1.226 10 0 BDAERO C[NH2+]Cc1cc(Cn2cc(C)cn2)c(C)o1 ZINC000052577002 173386890 /nfs/dbraw/zinc/38/68/90/173386890.db2.gz BHEJFFNOYDMCLQ-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+]Cc1cc(N2CC[C@H](C)C2)ccn1 ZINC000051448401 173387067 /nfs/dbraw/zinc/38/70/67/173387067.db2.gz GJETZRHJIYSAQP-JTQLQIEISA-N 1 0 205.305 1.647 10 0 BDAERO C[NH2+]Cc1cc(Cn2nc(C)cc2C)on1 ZINC000016943586 173387117 /nfs/dbraw/zinc/38/71/17/173387117.db2.gz QBRIHHBPNOQUKD-UHFFFAOYSA-N 1 0 220.276 1.256 10 0 BDAERO C[NH2+]Cc1ccc(-n2nc(C)cc2C)nc1 ZINC000051490723 173388533 /nfs/dbraw/zinc/38/85/33/173388533.db2.gz CJBOIJWRRNMIHT-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1ccc(O[C@H]2CCOC2=O)cc1 ZINC000037702071 173389234 /nfs/dbraw/zinc/38/92/34/173389234.db2.gz PCYXKIPPBDZUTO-NSHDSACASA-N 1 0 221.256 1.100 10 0 BDAERO C[NH2+]Cc1ccccc1Cn1ccnc1C ZINC000052576211 173390051 /nfs/dbraw/zinc/39/00/51/173390051.db2.gz AKHYNXFBLSQTCR-UHFFFAOYSA-N 1 0 215.300 1.959 10 0 BDAERO C[NH2+]Cc1cn(C)nc1-c1cccc(OC)c1 ZINC000031886987 173391137 /nfs/dbraw/zinc/39/11/37/173391137.db2.gz FJESRZISSNDKCL-UHFFFAOYSA-N 1 0 231.299 1.815 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCCCCC2)n1 ZINC000054791214 173391435 /nfs/dbraw/zinc/39/14/35/173391435.db2.gz ODRLBPMVQKOTJJ-UHFFFAOYSA-N 1 0 220.320 1.576 10 0 BDAERO C[NH2+]Cc1ccoc1CN1CCN(C2CC2)CC1 ZINC000052371291 173391512 /nfs/dbraw/zinc/39/15/12/173391512.db2.gz IFZMDEAALMBVSL-UHFFFAOYSA-N 1 0 249.358 1.279 10 0 BDAERO C[NH2+]Cc1ccnc(Cc2ccccn2)n1 ZINC000054791178 173391784 /nfs/dbraw/zinc/39/17/84/173391784.db2.gz FYFZQTQOCXRMFP-UHFFFAOYSA-N 1 0 214.272 1.182 10 0 BDAERO C[NH2+]Cc1cnc(C2CCOCC2)s1 ZINC000052176095 173392012 /nfs/dbraw/zinc/39/20/12/173392012.db2.gz LAIXUXMXSXDHEP-UHFFFAOYSA-N 1 0 212.318 1.757 10 0 BDAERO C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000040996563 173392151 /nfs/dbraw/zinc/39/21/51/173392151.db2.gz NAQZQQIJKJWQGV-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1cnn(-c2nc(C)cc(C)n2)c1C ZINC000042355482 173393887 /nfs/dbraw/zinc/39/38/87/173393887.db2.gz LPRYDZFKDQXDNK-UHFFFAOYSA-N 1 0 231.303 1.307 10 0 BDAERO C[NH2+]Cc1csc(Br)n1 ZINC000095075944 173394047 /nfs/dbraw/zinc/39/40/47/173394047.db2.gz QUJDNKDMHSYCEZ-UHFFFAOYSA-N 1 0 207.096 1.625 10 0 BDAERO C[NH2+]Cc1ncccc1Br ZINC000083283669 173397130 /nfs/dbraw/zinc/39/71/30/173397130.db2.gz NYOSIGHLCPDKEH-UHFFFAOYSA-N 1 0 201.067 1.564 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc2ccccc2c1 ZINC000054762240 173398784 /nfs/dbraw/zinc/39/87/84/173398784.db2.gz DBFHZSTWJMGEGG-UHFFFAOYSA-N 1 0 239.282 1.535 10 0 BDAERO C[NH2+][C@H]([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000043300354 173421835 /nfs/dbraw/zinc/42/18/35/173421835.db2.gz BCGCLJUORQSXPC-NEPJUHHUSA-N 1 0 245.388 1.589 10 0 BDAERO C[NH2+][C@@H](COc1ccccc1)c1cncnc1 ZINC000054437318 173423779 /nfs/dbraw/zinc/42/37/79/173423779.db2.gz DWGNOHNOIRBVHK-ZDUSSCGKSA-N 1 0 229.283 1.816 10 0 BDAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cncnc1 ZINC000052886935 173428074 /nfs/dbraw/zinc/42/80/74/173428074.db2.gz XQQSHJSDHWGENR-LBPRGKRZSA-N 1 0 217.247 1.925 10 0 BDAERO C[NH2+][C@@H]1CCCCC[C@H]1n1nc(C)nc1C ZINC000044035464 173431246 /nfs/dbraw/zinc/43/12/46/173431246.db2.gz UMMJTMXTGQIYTR-VXGBXAGGSA-N 1 0 222.336 1.988 10 0 BDAERO CCc1cc(NC(=O)C2CCC([NH3+])CC2)n[nH]1 ZINC000228335271 487626402 /nfs/dbraw/zinc/62/64/02/487626402.db2.gz BVFZBLOEDLOPMD-UHFFFAOYSA-N 1 0 236.319 1.428 10 0 BDAERO C[NH2+][C@H](C)Cc1nc(Cc2cccnc2)no1 ZINC000110461497 173447196 /nfs/dbraw/zinc/44/71/96/173447196.db2.gz GWWSOTJWWXNUAN-SECBINFHSA-N 1 0 232.287 1.206 10 0 BDAERO C[NH2+][C@H]1CCCC[C@H]1N1CCC(OC)CC1 ZINC000043890054 173460856 /nfs/dbraw/zinc/46/08/56/173460856.db2.gz WSCUEISLGAELQJ-QWHCGFSZSA-N 1 0 226.364 1.628 10 0 BDAERO COC(=O)CCN1CC[NH2+]Cc2ccccc21 ZINC000062818929 173554539 /nfs/dbraw/zinc/55/45/39/173554539.db2.gz BYDVXAPXNJTMMI-UHFFFAOYSA-N 1 0 234.299 1.159 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1cc(C)ccc1C ZINC000049669978 173625162 /nfs/dbraw/zinc/62/51/62/173625162.db2.gz PRYDUQOWDCPBKV-LLVKDONJSA-N 1 0 207.273 1.866 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000215986193 173817905 /nfs/dbraw/zinc/81/79/05/173817905.db2.gz LBNNWIZMDMVPSI-NWDGAFQWSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000044135926 173823171 /nfs/dbraw/zinc/82/31/71/173823171.db2.gz DHIQDLYSUWUHPC-STQMWFEESA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)c1cc(CC[NH3+])cc(Cl)n1 ZINC000095767951 173852881 /nfs/dbraw/zinc/85/28/81/173852881.db2.gz XXNOSUTWKOWEIB-UHFFFAOYSA-N 1 0 214.652 1.023 10 0 BDAERO COC(C[NH2+]CC1CCCCC1)OC ZINC000037389144 173961346 /nfs/dbraw/zinc/96/13/46/173961346.db2.gz SZINJNXBFKTGBT-UHFFFAOYSA-N 1 0 201.310 1.775 10 0 BDAERO COC(OC)[C@H](C[NH3+])Cc1ccc(C)cc1 ZINC000019729775 173965569 /nfs/dbraw/zinc/96/55/69/173965569.db2.gz PDHDXFTXVKVPAJ-LBPRGKRZSA-N 1 0 223.316 1.731 10 0 BDAERO COC1(C[NH2+]C[C@@H](O)C(C)(C)C)CCCC1 ZINC000336751961 174001819 /nfs/dbraw/zinc/00/18/19/174001819.db2.gz DBYHIGOALCUCFL-LLVKDONJSA-N 1 0 229.364 1.942 10 0 BDAERO COC1(C[NH2+]C[C@H]2CCC[C@H]2O)CCCC1 ZINC000309439595 174002556 /nfs/dbraw/zinc/00/25/56/174002556.db2.gz IDOMKQAWFSYUKA-VXGBXAGGSA-N 1 0 227.348 1.696 10 0 BDAERO COC1CC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000336764517 174017111 /nfs/dbraw/zinc/01/71/11/174017111.db2.gz NIRVDCKDNKTGEL-WPMGSTCASA-N 1 0 227.348 1.957 10 0 BDAERO COC1CC([NH2+][C@@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000336773444 174019010 /nfs/dbraw/zinc/01/90/10/174019010.db2.gz WDFCKEDWUJVRGS-IKWCTNDRSA-N 1 0 226.364 1.482 10 0 BDAERO COC1CC([NH2+][C@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000336773446 174020080 /nfs/dbraw/zinc/02/00/80/174020080.db2.gz WDFCKEDWUJVRGS-XVSSEFHLSA-N 1 0 226.364 1.482 10 0 BDAERO COC1CC[NH+]([C@@H](CN)C(C)(C)C)CC1 ZINC000041051579 174030071 /nfs/dbraw/zinc/03/00/71/174030071.db2.gz CFODEKIFQVQKQA-NSHDSACASA-N 1 0 214.353 1.471 10 0 BDAERO COCC(C)(C)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000336735398 174073610 /nfs/dbraw/zinc/07/36/10/174073610.db2.gz LVCMWXMIJPZQAL-VXGBXAGGSA-N 1 0 229.364 1.800 10 0 BDAERO COCCC(=O)N(c1ccc(C[NH3+])cc1)C1CC1 ZINC000053716513 174121907 /nfs/dbraw/zinc/12/19/07/174121907.db2.gz CBRRZFUNNFVDAG-UHFFFAOYSA-N 1 0 248.326 1.677 10 0 BDAERO COCCCC1(C[NH2+]CCOC)CCOCC1 ZINC000061674595 174169907 /nfs/dbraw/zinc/16/99/07/174169907.db2.gz FFYRGJZYGLHZNZ-UHFFFAOYSA-N 1 0 245.363 1.446 10 0 BDAERO COCCCC1([NH3+])Cc2ccccc2C1 ZINC000053753863 174170196 /nfs/dbraw/zinc/17/01/96/174170196.db2.gz VRBNORPFPINZTJ-UHFFFAOYSA-N 1 0 205.301 1.909 10 0 BDAERO COCCCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000117884413 174194085 /nfs/dbraw/zinc/19/40/85/174194085.db2.gz PRDQVMBRIXPPDG-GFCCVEGCSA-N 1 0 237.347 1.636 10 0 BDAERO COCCCN(C)C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000062034988 174214762 /nfs/dbraw/zinc/21/47/62/174214762.db2.gz ATOCXHKLZHKAIK-NEPJUHHUSA-N 1 0 242.363 1.246 10 0 BDAERO COCCC[N@H+](C)[C@H]1CNc2ccccc2C1 ZINC000062032011 174220085 /nfs/dbraw/zinc/22/00/85/174220085.db2.gz CPRRSPPTFJJIQV-CYBMUJFWSA-N 1 0 234.343 1.992 10 0 BDAERO COCCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105901386 174228919 /nfs/dbraw/zinc/22/89/19/174228919.db2.gz WLPLRGZVPCBZHJ-CYBMUJFWSA-N 1 0 237.347 1.865 10 0 BDAERO COCCCNC(=O)c1ccc([C@@H](C)[NH3+])o1 ZINC000011628190 174245042 /nfs/dbraw/zinc/24/50/42/174245042.db2.gz ZTZIHINNOLVOTI-MRVPVSSYSA-N 1 0 226.276 1.066 10 0 BDAERO COCCC[NH2+]C[C@H](C)N1C[C@H](C)OC[C@H]1C ZINC000053491053 174246932 /nfs/dbraw/zinc/24/69/32/174246932.db2.gz NNBRPGHIENXFCI-XQQFMLRXSA-N 1 0 244.379 1.110 10 0 BDAERO COCCCOC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037747611 174253430 /nfs/dbraw/zinc/25/34/30/174253430.db2.gz MADUXPJVBXEULM-UHFFFAOYSA-N 1 0 238.287 1.730 10 0 BDAERO COCCCn1nccc1C[NH2+][C@@H]1C[C@@H]1C ZINC000282651277 174267604 /nfs/dbraw/zinc/26/76/04/174267604.db2.gz MAEIYNZVMNWVLM-CMPLNLGQSA-N 1 0 223.320 1.418 10 0 BDAERO COCCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H](C)C1CC1 ZINC000037814709 174268856 /nfs/dbraw/zinc/26/88/56/174268856.db2.gz AHCLMTVMPVDPIC-PWSUYJOCSA-N 1 0 242.363 1.243 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000041247228 174282013 /nfs/dbraw/zinc/28/20/13/174282013.db2.gz VGWYPNAWMOUFOR-LBPRGKRZSA-N 1 0 226.295 1.404 10 0 BDAERO COCCN(C)[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043044606 174282859 /nfs/dbraw/zinc/28/28/59/174282859.db2.gz JGRVLQLZGVULGX-GXFFZTMASA-N 1 0 240.322 1.792 10 0 BDAERO COCCN(C)c1cc(C[NH3+])c2ccccc2n1 ZINC000051398051 174283443 /nfs/dbraw/zinc/28/34/43/174283443.db2.gz CJTKQIGSBVGIGM-UHFFFAOYSA-N 1 0 245.326 1.776 10 0 BDAERO COCCN([C@@H](C[NH3+])c1ccccn1)C1CC1 ZINC000042517870 174285219 /nfs/dbraw/zinc/28/52/19/174285219.db2.gz KONYHNBTWHNITL-ZDUSSCGKSA-N 1 0 235.331 1.192 10 0 BDAERO COCCN(CC(C)C)c1cc(C[NH3+])ccn1 ZINC000042367069 174288096 /nfs/dbraw/zinc/28/80/96/174288096.db2.gz GSIWZTBCJJNJQG-UHFFFAOYSA-N 1 0 237.347 1.649 10 0 BDAERO COCCN(c1ccc(N)nc1)[C@H](C)C1CC1 ZINC000042614573 174301902 /nfs/dbraw/zinc/30/19/02/174301902.db2.gz YZGBHFSBAZDIIP-SNVBAGLBSA-N 1 0 235.331 1.915 10 0 BDAERO COCCN1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062623417 174306245 /nfs/dbraw/zinc/30/62/45/174306245.db2.gz UWMXKPJJCYJFFE-OAHLLOKOSA-N 1 0 248.370 1.539 10 0 BDAERO COCCN1CCC[C@H]1C[NH2+]C(C)(C)C ZINC000053649643 174308955 /nfs/dbraw/zinc/30/89/55/174308955.db2.gz PVHBHTUPHNIKHW-NSHDSACASA-N 1 0 214.353 1.485 10 0 BDAERO COCCN1c2ccccc2[C@@H]2C[NH2+]CC[C@@H]21 ZINC000096251742 174319445 /nfs/dbraw/zinc/31/94/45/174319445.db2.gz GQIVQSGPZUSWQE-JSGCOSHPSA-N 1 0 232.327 1.599 10 0 BDAERO COCCNC(=O)[C@H](C)[NH2+]C1CCCCCC1 ZINC000036962771 174326870 /nfs/dbraw/zinc/32/68/70/174326870.db2.gz KAJRPOOKPWGYQW-NSHDSACASA-N 1 0 242.363 1.450 10 0 BDAERO COCC[NH2+]CCN1CCCCCC1 ZINC000041210380 174332585 /nfs/dbraw/zinc/33/25/85/174332585.db2.gz BKQHGILJFLSHFK-UHFFFAOYSA-N 1 0 200.326 1.098 10 0 BDAERO COCC[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000053341623 174332652 /nfs/dbraw/zinc/33/26/52/174332652.db2.gz JJQDOJPYVJNTIZ-LBPRGKRZSA-N 1 0 234.343 1.674 10 0 BDAERO COCC[NH2+]CCCc1cccc(O)c1 ZINC000076285639 174332730 /nfs/dbraw/zinc/33/27/30/174332730.db2.gz BOHLFOQMFRGIKW-UHFFFAOYSA-N 1 0 209.289 1.561 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000032012793 174334132 /nfs/dbraw/zinc/33/41/32/174334132.db2.gz OEKDXBMOSAQKGK-LLVKDONJSA-N 1 0 213.252 1.095 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000032012196 174335015 /nfs/dbraw/zinc/33/50/15/174335015.db2.gz KKVKZKNPHYOOFK-GFCCVEGCSA-N 1 0 209.289 1.264 10 0 BDAERO COCC[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944780 174337018 /nfs/dbraw/zinc/33/70/18/174337018.db2.gz RLUKGDQUUBOARA-UHFFFAOYSA-N 1 0 246.314 1.218 10 0 BDAERO COCCNc1nc(C[C@@H](C)[NH3+])cs1 ZINC000028509365 174341990 /nfs/dbraw/zinc/34/19/90/174341990.db2.gz GUCXLQBJMZQMJY-SSDOTTSWSA-N 1 0 215.322 1.091 10 0 BDAERO COCCO[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042962940 174365527 /nfs/dbraw/zinc/36/55/27/174365527.db2.gz HKKCFZJHQLJLHN-ZWNOBZJWSA-N 1 0 239.315 1.747 10 0 BDAERO COCCO[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000019386712 174366464 /nfs/dbraw/zinc/36/64/64/174366464.db2.gz LWYFNYKOFJBZHD-RYUDHWBXSA-N 1 0 207.273 1.274 10 0 BDAERO COCCO[C@H]1CC[C@H](C(F)(F)F)C[C@@H]1[NH3+] ZINC000020282265 174366686 /nfs/dbraw/zinc/36/66/86/174366686.db2.gz BTHKLTHNADHFKV-CIUDSAMLSA-N 1 0 241.253 1.708 10 0 BDAERO COCCOc1cc(C[NH2+]CC(C)C)ccn1 ZINC000051526763 174367373 /nfs/dbraw/zinc/36/73/73/174367373.db2.gz QUJHWCSIQUFYNM-UHFFFAOYSA-N 1 0 238.331 1.852 10 0 BDAERO COCCOc1ccc(-c2oncc2C[NH3+])cc1 ZINC000071562837 174367634 /nfs/dbraw/zinc/36/76/34/174367634.db2.gz ZPEMZVVWRMWTIP-UHFFFAOYSA-N 1 0 248.282 1.826 10 0 BDAERO COCCOc1ccc(OC)cc1C[C@@H](C)[NH3+] ZINC000037722615 174368563 /nfs/dbraw/zinc/36/85/63/174368563.db2.gz HLJFEQAZRJKINF-SNVBAGLBSA-N 1 0 239.315 1.610 10 0 BDAERO COCCSCCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000348182906 174375386 /nfs/dbraw/zinc/37/53/86/174375386.db2.gz LZUIBXIDBNKYNM-GHMZBOCLSA-N 1 0 233.377 1.523 10 0 BDAERO COCc1ccc([C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000034946152 174627590 /nfs/dbraw/zinc/62/75/90/174627590.db2.gz ZODCDPUZFAIJGU-OLZOCXBDSA-N 1 0 203.285 1.694 10 0 BDAERO COCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000037763007 174634004 /nfs/dbraw/zinc/63/40/04/174634004.db2.gz ULYONCNDYDWGLQ-ZIAGYGMSSA-N 1 0 235.327 1.836 10 0 BDAERO CO[C@](C)(C[NH3+])c1ccc(F)cc1F ZINC000071508179 174909577 /nfs/dbraw/zinc/90/95/77/174909577.db2.gz RRBIGGQZSAMQKQ-SNVBAGLBSA-N 1 0 201.216 1.785 10 0 BDAERO COc1c(C)cc(Cl)cc1[C@H](O)C[NH3+] ZINC000071519502 174923929 /nfs/dbraw/zinc/92/39/29/174923929.db2.gz WKVWIEBQLYTWTA-SECBINFHSA-N 1 0 215.680 1.649 10 0 BDAERO COc1c(C[C@H]2CCC[NH2+]2)c(C)nn1C ZINC000083289310 174929026 /nfs/dbraw/zinc/92/90/26/174929026.db2.gz BBJOPNZGVNVFOB-SECBINFHSA-N 1 0 209.293 1.032 10 0 BDAERO COc1cc(OC)c(OC)c2c1CC[NH2+]C2 ZINC000019626554 175006919 /nfs/dbraw/zinc/00/69/19/175006919.db2.gz RLMSIGWAIVSNKI-UHFFFAOYSA-N 1 0 223.272 1.358 10 0 BDAERO COc1cc(OC)c(OC)c2c1C[NH2+]CC2 ZINC000070622186 175007254 /nfs/dbraw/zinc/00/72/54/175007254.db2.gz OQBDVUVPHYXGQF-UHFFFAOYSA-N 1 0 223.272 1.358 10 0 BDAERO COc1cc([C@@H]([NH3+])CCO)cc(OC)c1OC ZINC000019784062 175013740 /nfs/dbraw/zinc/01/37/40/175013740.db2.gz ATIOELRQUMZKCZ-VIFPVBQESA-N 1 0 241.287 1.095 10 0 BDAERO COc1cc([C@@H]2C[C@@H]2[NH3+])c(OC)cc1C ZINC000033605735 175015118 /nfs/dbraw/zinc/01/51/18/175015118.db2.gz HYVPPECPQRBJEQ-WPRPVWTQSA-N 1 0 207.273 1.827 10 0 BDAERO COc1cc([C@@H]2C[C@H]2C[NH3+])cc(OC)c1OC ZINC000041278439 175015393 /nfs/dbraw/zinc/01/53/93/175015393.db2.gz RFXRFWPUFLQXRQ-UWVGGRQHSA-N 1 0 237.299 1.775 10 0 BDAERO COc1cc([C@H]2C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000041278437 175016661 /nfs/dbraw/zinc/01/66/61/175016661.db2.gz RFXRFWPUFLQXRQ-NXEZZACHSA-N 1 0 237.299 1.775 10 0 BDAERO COc1cc2c(c(OC)c1)C[C@@H]([NH3+])CC2 ZINC000057938569 175019481 /nfs/dbraw/zinc/01/94/81/175019481.db2.gz HWHWNVDZGARYOI-VIFPVBQESA-N 1 0 207.273 1.520 10 0 BDAERO COc1cc2c(cc1OC)[C@@H](CCO)[NH2+]CC2 ZINC000004262564 175025520 /nfs/dbraw/zinc/02/55/20/175025520.db2.gz VIWOJGACEJJOIU-LLVKDONJSA-N 1 0 237.299 1.273 10 0 BDAERO COc1ccc(-c2c[nH]c(CC[NH3+])n2)cc1 ZINC000036876294 175029905 /nfs/dbraw/zinc/02/99/05/175029905.db2.gz FGDOPVHESXSTMF-UHFFFAOYSA-N 1 0 217.272 1.587 10 0 BDAERO COc1ccc(-c2ccnc(NCC[NH3+])n2)cc1 ZINC000002538412 175035641 /nfs/dbraw/zinc/03/56/41/175035641.db2.gz XXEACRBIQGSQPP-UHFFFAOYSA-N 1 0 244.298 1.523 10 0 BDAERO COc1ccc(-c2n[nH]c3c2C[C@H]([NH3+])CC3)cc1 ZINC000040442966 175038147 /nfs/dbraw/zinc/03/81/47/175038147.db2.gz HFVLZEDLMWVWAO-SNVBAGLBSA-N 1 0 243.310 1.901 10 0 BDAERO COc1ccc(-n2cc(C[NH3+])nn2)cc1Cl ZINC000062237945 175044085 /nfs/dbraw/zinc/04/40/85/175044085.db2.gz PPJHAKDWBKDJSQ-UHFFFAOYSA-N 1 0 238.678 1.388 10 0 BDAERO COc1ccc(C(=O)[C@@H]2CCC[NH2+]2)cc1OC ZINC000011630669 175065570 /nfs/dbraw/zinc/06/55/70/175065570.db2.gz DKNUWUDMJFEQFO-JTQLQIEISA-N 1 0 235.283 1.639 10 0 BDAERO COc1ccc(C)cc1-c1nnc(CC[NH3+])o1 ZINC000052944056 175072291 /nfs/dbraw/zinc/07/22/91/175072291.db2.gz UALKRHZGWGZSJH-UHFFFAOYSA-N 1 0 233.271 1.555 10 0 BDAERO COc1ccc(C)cc1N1C[C@@H]([NH3+])CC1=O ZINC000035679686 175076504 /nfs/dbraw/zinc/07/65/04/175076504.db2.gz WAHZGFVYXQFRER-VIFPVBQESA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(C)cc1N1C[C@@H](C[NH3+])CC1=O ZINC000019669565 175077089 /nfs/dbraw/zinc/07/70/89/175077089.db2.gz QWAZYNQKVUAPIR-SNVBAGLBSA-N 1 0 234.299 1.315 10 0 BDAERO COc1ccc(C)cc1C[C@H](O)[C@H]1CCC[NH2+]1 ZINC000041266268 175077117 /nfs/dbraw/zinc/07/71/17/175077117.db2.gz PXTYIEHKGYXYQU-OLZOCXBDSA-N 1 0 235.327 1.659 10 0 BDAERO COc1ccc(C)cc1[C@H](O)CC[NH+](C)C ZINC000041146485 175082121 /nfs/dbraw/zinc/08/21/21/175082121.db2.gz JVOWBXIDBRLPNR-GFCCVEGCSA-N 1 0 223.316 1.989 10 0 BDAERO COc1ccc(C)cc1[C@H]1C[NH2+]CCO1 ZINC000037405073 175082328 /nfs/dbraw/zinc/08/23/28/175082328.db2.gz TXESORBSPLTBFD-GFCCVEGCSA-N 1 0 207.273 1.665 10 0 BDAERO COc1ccc(C)cc1[C@H]([NH3+])CCCC(N)=O ZINC000037641271 175082425 /nfs/dbraw/zinc/08/24/25/175082425.db2.gz LNUSHWAMTLIPTE-LLVKDONJSA-N 1 0 236.315 1.659 10 0 BDAERO COc1ccc(C)cc1[C@](O)(C[NH3+])C(C)C ZINC000032014660 175082722 /nfs/dbraw/zinc/08/27/22/175082722.db2.gz BEKLGHIPUSMPFM-ZDUSSCGKSA-N 1 0 223.316 1.806 10 0 BDAERO COc1ccc(CC[NH3+])c2ccc(=O)[nH]c12 ZINC000029476872 175090170 /nfs/dbraw/zinc/09/01/70/175090170.db2.gz MELLPOIURPSATM-UHFFFAOYSA-N 1 0 218.256 1.450 10 0 BDAERO COc1ccc(CC[NH2+]CCO)cc1Cl ZINC000057518399 175091725 /nfs/dbraw/zinc/09/17/25/175091725.db2.gz UGNJUKTXKBONBD-UHFFFAOYSA-N 1 0 229.707 1.473 10 0 BDAERO COc1ccc(CC[NH2+]CCn2cccn2)cc1 ZINC000049314052 175091896 /nfs/dbraw/zinc/09/18/96/175091896.db2.gz UIQHOBADMITXOB-UHFFFAOYSA-N 1 0 245.326 1.724 10 0 BDAERO COc1ccc(C[NH3+])cc1OC[C@H]1CCCO1 ZINC000034957159 175097812 /nfs/dbraw/zinc/09/78/12/175097812.db2.gz UFMSWGMHZZGRTI-LLVKDONJSA-N 1 0 237.299 1.712 10 0 BDAERO COc1ccc(CNC(=O)[C@@](C)([NH3+])C2CC2)cc1 ZINC000037614209 175105068 /nfs/dbraw/zinc/10/50/68/175105068.db2.gz QUQHMRBHIPLWOX-AWEZNQCLSA-N 1 0 248.326 1.439 10 0 BDAERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000089151173 175107513 /nfs/dbraw/zinc/10/75/13/175107513.db2.gz DQVKSYHLCJBWSO-JSGCOSHPSA-N 1 0 235.327 1.946 10 0 BDAERO COc1ccc(Cl)cc1[C@@H](O)CC[NH3+] ZINC000036159320 175121621 /nfs/dbraw/zinc/12/16/21/175121621.db2.gz KKCSHZDEMKHFGG-VIFPVBQESA-N 1 0 215.680 1.731 10 0 BDAERO COc1ccc(Cl)cc1[C@@](C)(O)CC[NH3+] ZINC000082348252 175123537 /nfs/dbraw/zinc/12/35/37/175123537.db2.gz FUURJMJJYNKJEC-NSHDSACASA-N 1 0 229.707 1.905 10 0 BDAERO COc1ccc(F)cc1CC[NH2+]CC(C)(C)O ZINC000098126646 175128245 /nfs/dbraw/zinc/12/82/45/175128245.db2.gz CUCBNYVOBPWTLC-UHFFFAOYSA-N 1 0 241.306 1.737 10 0 BDAERO COc1ccc(F)cc1CN1CC[NH2+][C@@H](C)C1 ZINC000071548839 175129124 /nfs/dbraw/zinc/12/91/24/175129124.db2.gz RXMNOZXQIOZBKV-JTQLQIEISA-N 1 0 238.306 1.628 10 0 BDAERO COc1ccc(F)cc1COC(=O)CC[NH3+] ZINC000049820666 175129572 /nfs/dbraw/zinc/12/95/72/175129572.db2.gz HVZBNHIPVCERHK-UHFFFAOYSA-N 1 0 227.235 1.226 10 0 BDAERO COc1ccc(NCCC[NH3+])c(OC)c1C ZINC000107287835 175150473 /nfs/dbraw/zinc/15/04/73/175150473.db2.gz ZSCCMGGFVZVBMM-UHFFFAOYSA-N 1 0 224.304 1.773 10 0 BDAERO COc1ccc(NC[C@H]2CCC[NH2+]2)cc1OC ZINC000041270947 175151205 /nfs/dbraw/zinc/15/12/05/175151205.db2.gz BJHAZVYGDNINQJ-LLVKDONJSA-N 1 0 236.315 1.868 10 0 BDAERO COc1ccc(OC)c(C(=O)[C@@H](C)[NH3+])c1 ZINC000058327370 175164123 /nfs/dbraw/zinc/16/41/23/175164123.db2.gz VSMILISQVUOHED-SSDOTTSWSA-N 1 0 209.245 1.234 10 0 BDAERO COc1ccc(OC)c(C(=O)C2CC[NH2+]CC2)c1 ZINC000011630768 175164460 /nfs/dbraw/zinc/16/44/60/175164460.db2.gz GMVLEEPIZNRQLB-UHFFFAOYSA-N 1 0 249.310 1.886 10 0 BDAERO COc1ccc(OC)c(OC)c1C[C@@H](C)[NH3+] ZINC000001731511 175167384 /nfs/dbraw/zinc/16/73/84/175167384.db2.gz OASZJWLOOFXASO-MRVPVSSYSA-N 1 0 225.288 1.602 10 0 BDAERO COc1ccc(OC)c([C@@H](O)[C@H]([NH3+])C(C)C)c1 ZINC000033468694 175168363 /nfs/dbraw/zinc/16/83/63/175168363.db2.gz QNBNVGWNAVHOJG-CHWSQXEVSA-N 1 0 239.315 1.721 10 0 BDAERO COc1ccc(OC)c([C@H]2C[NH2+]CCO2)c1 ZINC000011803075 175169075 /nfs/dbraw/zinc/16/90/75/175169075.db2.gz ZSSXDMNVMKGEBE-GFCCVEGCSA-N 1 0 223.272 1.365 10 0 BDAERO COc1ccc(OC)c2c1CC[C@H]2C[NH3+] ZINC000035049954 175170760 /nfs/dbraw/zinc/17/07/60/175170760.db2.gz QMKUNDBXINFYGC-QMMMGPOBSA-N 1 0 207.273 1.692 10 0 BDAERO COc1ccc([C@@H](C[NH3+])n2cc(C)cn2)cc1 ZINC000042962329 175178119 /nfs/dbraw/zinc/17/81/19/175178119.db2.gz OKDYIULECSQTQD-CYBMUJFWSA-N 1 0 231.299 1.748 10 0 BDAERO COc1ccc([C@@H]([C@@H](C)[NH3+])n2ccnc2)cc1 ZINC000042962237 175181722 /nfs/dbraw/zinc/18/17/22/175181722.db2.gz NXUADRIVWJVLBY-ZWNOBZJWSA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccc([C@@H]([C@@H](C)[NH3+])n2cncn2)cc1 ZINC000042962217 175181887 /nfs/dbraw/zinc/18/18/87/175181887.db2.gz YFUBHPHASCJDCR-BXKDBHETSA-N 1 0 232.287 1.223 10 0 BDAERO COc1ccc([C@@](C)([NH3+])CO)cc1Cl ZINC000077307798 175186175 /nfs/dbraw/zinc/18/61/75/175186175.db2.gz FVGVAMWZSDJSFC-JTQLQIEISA-N 1 0 215.680 1.515 10 0 BDAERO COc1ccc([C@@](C)([NH2+]CC2CC2)C(N)=O)cc1 ZINC000037952161 175186447 /nfs/dbraw/zinc/18/64/47/175186447.db2.gz DCIHGXNTLMZJDP-CQSZACIVSA-N 1 0 248.326 1.395 10 0 BDAERO COc1ccc([C@H](CO)[NH+](C)C)cc1OC ZINC000041245634 175191307 /nfs/dbraw/zinc/19/13/07/175191307.db2.gz BQMFHTWPNOBTTG-JTQLQIEISA-N 1 0 225.288 1.299 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C)O2)c(OC)c1 ZINC000033466024 175196818 /nfs/dbraw/zinc/19/68/18/175196818.db2.gz PPPDINSFRICPHN-NOZJJQNGSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@]2(C)C[C@H]2C[NH3+])cc1OC ZINC000054588011 175200334 /nfs/dbraw/zinc/20/03/34/175200334.db2.gz IJYQCBYFURPLMR-GWCFXTLKSA-N 1 0 221.300 1.940 10 0 BDAERO COc1ccc2[nH]cc([C@H]3C[C@@H]3[NH3+])c2c1 ZINC000013782227 175202842 /nfs/dbraw/zinc/20/28/42/175202842.db2.gz QAYBFLBZFYNCJH-KCJUWKMLSA-N 1 0 202.257 1.991 10 0 BDAERO COc1ccc2c(c1)CC[C@]1(C[NH+]=CN1)C2 ZINC000013743733 175210013 /nfs/dbraw/zinc/21/00/13/175210013.db2.gz YSSOIVRDCKNHKM-CYBMUJFWSA-N 1 0 216.284 1.554 10 0 BDAERO COc1ccc2c(c1)CC[C@@H](OC)[C@@H]2[NH3+] ZINC000019398931 175210044 /nfs/dbraw/zinc/21/00/44/175210044.db2.gz HFMPATQDLPRZHD-VXGBXAGGSA-N 1 0 207.273 1.656 10 0 BDAERO COc1ccc2c(c1)NC(=O)[C@@H]2CC[NH3+] ZINC000105381380 175211970 /nfs/dbraw/zinc/21/19/70/175211970.db2.gz KDSFPLBGZXLKET-SECBINFHSA-N 1 0 206.245 1.080 10 0 BDAERO COc1ccc2c(c1)[C@@H](N1CC[NH2+]CC1)CC2 ZINC000041259497 175213992 /nfs/dbraw/zinc/21/39/92/175213992.db2.gz QGCINJAZDGSYHN-AWEZNQCLSA-N 1 0 232.327 1.588 10 0 BDAERO COc1ccc2c(c1)[C@@H](N1CC[NH2+]CC1)CCC2 ZINC000031889694 175214692 /nfs/dbraw/zinc/21/46/92/175214692.db2.gz KXEROXFYRWYIGF-HNNXBMFYSA-N 1 0 246.354 1.978 10 0 BDAERO COc1ccc2c(c1OC)CC[C@H]([NH3+])C2 ZINC000002016172 175221581 /nfs/dbraw/zinc/22/15/81/175221581.db2.gz BDHOUGWYKHSPIX-VIFPVBQESA-N 1 0 207.273 1.520 10 0 BDAERO COc1cccc(C(=O)C[NH2+]C2CC2)c1 ZINC000041613419 175242884 /nfs/dbraw/zinc/24/28/84/175242884.db2.gz AUPIUHOJRFAODA-UHFFFAOYSA-N 1 0 205.257 1.630 10 0 BDAERO COc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170863595 175243547 /nfs/dbraw/zinc/24/35/47/175243547.db2.gz PFKCRCZKJGCOIU-GFCCVEGCSA-N 1 0 248.326 1.471 10 0 BDAERO COc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038048881 175246183 /nfs/dbraw/zinc/24/61/83/175246183.db2.gz GGQPCWOHSLXNBI-STQMWFEESA-N 1 0 248.326 1.695 10 0 BDAERO COc1cccc(CC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000041260731 175251081 /nfs/dbraw/zinc/25/10/81/175251081.db2.gz DAHLKAFOTBWAKK-LBPRGKRZSA-N 1 0 233.311 1.806 10 0 BDAERO COc1cccc(C[NH3+])c1OCCOC(C)C ZINC000049259090 175256988 /nfs/dbraw/zinc/25/69/88/175256988.db2.gz WXOGUKORKRGPRM-UHFFFAOYSA-N 1 0 239.315 1.958 10 0 BDAERO COc1cccc(C[C@@H]([NH3+])c2cnn(C)c2C)c1 ZINC000096984315 175271813 /nfs/dbraw/zinc/27/18/13/175271813.db2.gz KPGNTARYQPRZDM-CQSZACIVSA-N 1 0 245.326 1.980 10 0 BDAERO COc1cccc(C[C@H](C[NH3+])C(=O)NC2CC2)c1 ZINC000050304337 175271823 /nfs/dbraw/zinc/27/18/23/175271823.db2.gz WFXJDHZHWHAFDW-LLVKDONJSA-N 1 0 248.326 1.091 10 0 BDAERO COc1cccc(C[C@H]2COCC[C@@H]2[NH3+])c1 ZINC000082364303 175272702 /nfs/dbraw/zinc/27/27/02/175272702.db2.gz FMKAPMRWZGQWES-AAEUAGOBSA-N 1 0 221.300 1.602 10 0 BDAERO COc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]23)n1 ZINC000104117741 175279717 /nfs/dbraw/zinc/27/97/17/175279717.db2.gz WBFJQSHZWNLFAV-GHMZBOCLSA-N 1 0 233.315 1.739 10 0 BDAERO COc1cccc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000104120782 175280300 /nfs/dbraw/zinc/28/03/00/175280300.db2.gz CONNKPPTRMSDQE-SNVBAGLBSA-N 1 0 233.315 1.739 10 0 BDAERO COc1cccc([C@@H]([NH3+])Cn2ccnc2)c1 ZINC000038827606 175288606 /nfs/dbraw/zinc/28/86/06/175288606.db2.gz UWTZXZMMVPLVJV-LBPRGKRZSA-N 1 0 217.272 1.592 10 0 BDAERO COc1cccc([C@@](C)(O)[C@@H]2CCC[NH2+]C2)c1 ZINC000071545744 175291924 /nfs/dbraw/zinc/29/19/24/175291924.db2.gz YPZVOSGOKDDYAF-TZMCWYRMSA-N 1 0 235.327 1.902 10 0 BDAERO COc1cccc([C@H]([NH2+]CC(C)C)C(N)=O)c1 ZINC000037946204 175294759 /nfs/dbraw/zinc/29/47/59/175294759.db2.gz UEMGKHBORXPRPM-LBPRGKRZSA-N 1 0 236.315 1.467 10 0 BDAERO COc1cccc([S@](=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000083294977 175297442 /nfs/dbraw/zinc/29/74/42/175297442.db2.gz VOGSROIVUQPPPQ-QFYYESIMSA-N 1 0 239.340 1.555 10 0 BDAERO COc1cccc([S@](=O)C[C@H]2CCC[NH2+]2)c1 ZINC000083294979 175297520 /nfs/dbraw/zinc/29/75/20/175297520.db2.gz VOGSROIVUQPPPQ-HWPZZCPQSA-N 1 0 239.340 1.555 10 0 BDAERO COc1cccc2c1S(=O)(=O)C[C@H](C)[C@H]2[NH3+] ZINC000041030815 175304897 /nfs/dbraw/zinc/30/48/97/175304897.db2.gz RXEMWPVYLZDJGI-OIBJUYFYSA-N 1 0 241.312 1.118 10 0 BDAERO COc1cccc2c1S(=O)(=O)[C@@H](C)C[C@H]2[NH3+] ZINC000041030813 175305187 /nfs/dbraw/zinc/30/51/87/175305187.db2.gz PQZYUYIYBLWFED-IONNQARKSA-N 1 0 241.312 1.261 10 0 BDAERO COc1cccc2c1[S@@](=O)CCC[C@H]2[NH3+] ZINC000041031236 175305743 /nfs/dbraw/zinc/30/57/43/175305743.db2.gz GXKQAVDLCYLXGH-RFAUZJTJSA-N 1 0 225.313 1.596 10 0 BDAERO COc1ccccc1CCN1CCC[C@H]([NH3+])C1 ZINC000057954320 175322568 /nfs/dbraw/zinc/32/25/68/175322568.db2.gz DISHLLBZEMOURI-ZDUSSCGKSA-N 1 0 234.343 1.661 10 0 BDAERO COc1ccccc1CCCCN1CC[NH2+]CC1 ZINC000049836583 175322834 /nfs/dbraw/zinc/32/28/34/175322834.db2.gz FNDJJBICYDAEGD-UHFFFAOYSA-N 1 0 248.370 1.923 10 0 BDAERO COc1ccccc1CCc1nnc(CC[NH3+])o1 ZINC000011585830 175324255 /nfs/dbraw/zinc/32/42/55/175324255.db2.gz CPROFQNZQKROSV-UHFFFAOYSA-N 1 0 247.298 1.365 10 0 BDAERO COc1ccccc1C[C@@]1(O)CCC[NH2+]C1 ZINC000071522980 175333204 /nfs/dbraw/zinc/33/32/04/175333204.db2.gz CZKCSAACKDJYPG-ZDUSSCGKSA-N 1 0 221.300 1.352 10 0 BDAERO COc1ccccc1N[C@@H]1CC[N@H+](C)C1 ZINC000061984494 175338788 /nfs/dbraw/zinc/33/87/88/175338788.db2.gz LADPFRNRQWAJPR-SNVBAGLBSA-N 1 0 206.289 1.811 10 0 BDAERO COc1ccccc1OCCOCC(C)(C)[NH3+] ZINC000074532161 175341898 /nfs/dbraw/zinc/34/18/98/175341898.db2.gz XVIHVOXCSGLWRM-UHFFFAOYSA-N 1 0 239.315 1.828 10 0 BDAERO COc1ccccc1[C@@H](C[NH3+])n1cccn1 ZINC000043098625 175346075 /nfs/dbraw/zinc/34/60/75/175346075.db2.gz ODGMNJRXHOFFSN-LLVKDONJSA-N 1 0 217.272 1.440 10 0 BDAERO COc1ccccc1[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000032013938 175346932 /nfs/dbraw/zinc/34/69/32/175346932.db2.gz ZWAQIBCEDLEGAG-MFKMUULPSA-N 1 0 221.300 1.728 10 0 BDAERO COc1ccccc1[C@@H](O)C[NH2+]C1CC1 ZINC000032011678 175347723 /nfs/dbraw/zinc/34/77/23/175347723.db2.gz RNNQFKMGBGSLBK-NSHDSACASA-N 1 0 207.273 1.481 10 0 BDAERO COc1ccccc1[C@H]([NH3+])Cn1cccn1 ZINC000011848818 175353073 /nfs/dbraw/zinc/35/30/73/175353073.db2.gz FPBMJASKOLFDBT-LLVKDONJSA-N 1 0 217.272 1.592 10 0 BDAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])n1cccn1 ZINC000043098631 175354783 /nfs/dbraw/zinc/35/47/83/175354783.db2.gz XOVXWDWAYIYOKZ-MFKMUULPSA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccnc(Oc2ccccc2C[NH3+])n1 ZINC000021956872 175368656 /nfs/dbraw/zinc/36/86/56/175368656.db2.gz XTVJXQJMSYMGGV-UHFFFAOYSA-N 1 0 231.255 1.736 10 0 BDAERO COc1nc(C)c(CNCCC[NH+](C)C)s1 ZINC000045205514 175389263 /nfs/dbraw/zinc/38/92/63/175389263.db2.gz IGWGCFSKNVIFCQ-UHFFFAOYSA-N 1 0 243.376 1.501 10 0 BDAERO COc1nc(NCC[NH+]2CCCC2)ccc1N ZINC000054112202 175395383 /nfs/dbraw/zinc/39/53/83/175395383.db2.gz CWSPHVMGBCILGS-UHFFFAOYSA-N 1 0 236.319 1.180 10 0 BDAERO CSCCC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000309921928 175487530 /nfs/dbraw/zinc/48/75/30/175487530.db2.gz SNZMTDVFLRTBEV-SNVBAGLBSA-N 1 0 242.388 1.530 10 0 BDAERO CSCc1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054494082 175533703 /nfs/dbraw/zinc/53/37/03/175533703.db2.gz OICUVLBVYCNSQP-QMMMGPOBSA-N 1 0 227.333 1.475 10 0 BDAERO C[C@@H](C[NH2+]C(C)(C)C)N1CCSCC1 ZINC000052425479 175730156 /nfs/dbraw/zinc/73/01/56/175730156.db2.gz BQLYGAGCGRUBAD-JTQLQIEISA-N 1 0 216.394 1.812 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000037823844 175802658 /nfs/dbraw/zinc/80/26/58/175802658.db2.gz COOFVMQPZQAGLE-SNVBAGLBSA-N 1 0 248.326 1.621 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1cc(Br)ccc1F ZINC000020216782 175809185 /nfs/dbraw/zinc/80/91/85/175809185.db2.gz SCNWDVZQHMFFEI-MLUIRONXSA-N 1 0 248.095 1.969 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)n1cncn1 ZINC000043053035 175810782 /nfs/dbraw/zinc/81/07/82/175810782.db2.gz HQDCESRCRSOQBS-KCJUWKMLSA-N 1 0 236.706 1.868 10 0 BDAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCOC2=O)cc1 ZINC000037697460 175817765 /nfs/dbraw/zinc/81/77/65/175817765.db2.gz NPLZYJCNWUANHQ-KCJUWKMLSA-N 1 0 221.256 1.401 10 0 BDAERO C[C@@H]([NH3+])c1cccc(OCC(=O)NC2CC2)c1 ZINC000022168776 175818333 /nfs/dbraw/zinc/81/83/33/175818333.db2.gz ZBDHGNGUFGTMMJ-SECBINFHSA-N 1 0 234.299 1.364 10 0 BDAERO C[C@@H]([NH2+]C1CCS(=O)CC1)[C@H]1CCCO1 ZINC000042336221 175861765 /nfs/dbraw/zinc/86/17/65/175861765.db2.gz VFZZNRMSSMDTBL-GPZIFOQPSA-N 1 0 231.361 1.055 10 0 BDAERO C[C@@H](Nc1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000035737412 175936886 /nfs/dbraw/zinc/93/68/86/175936886.db2.gz QWGBPUANXKHXIW-SNVBAGLBSA-N 1 0 222.336 1.562 10 0 BDAERO C[C@@H](OC(=O)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000062132535 176001684 /nfs/dbraw/zinc/00/16/84/176001684.db2.gz ICRINWYVXVTFLS-ZYHUDNBSSA-N 1 0 219.284 1.900 10 0 BDAERO C[C@@H](OC[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000095068495 176002964 /nfs/dbraw/zinc/00/29/64/176002964.db2.gz NHLMXCJEOMBQLK-GHMZBOCLSA-N 1 0 206.289 1.911 10 0 BDAERO C[C@@H](c1ccc(Br)cc1)[C@H](O)C[NH3+] ZINC000041289865 176012994 /nfs/dbraw/zinc/01/29/94/176012994.db2.gz BADNKFDONMLZRT-OIBJUYFYSA-N 1 0 244.132 1.872 10 0 BDAERO C[C@@H](c1ccc(Cl)s1)n1nnnc1C[NH3+] ZINC000054747293 176014070 /nfs/dbraw/zinc/01/40/70/176014070.db2.gz ILOQHIQDDYGAHX-YFKPBYRVSA-N 1 0 243.723 1.456 10 0 BDAERO C[C@@H](c1ccc(O)cc1)N1CCC[NH2+]CC1 ZINC000038086839 176016346 /nfs/dbraw/zinc/01/63/46/176016346.db2.gz LGDOMGDBJVZOMZ-NSHDSACASA-N 1 0 220.316 1.749 10 0 BDAERO C[C@@H](c1ccc2c(c1)CCO2)N1CC[NH2+]CC1 ZINC000083255938 176016849 /nfs/dbraw/zinc/01/68/49/176016849.db2.gz RIYPMLGKAZACFU-NSHDSACASA-N 1 0 232.327 1.588 10 0 BDAERO C[C@@H](c1cccc(Cl)c1)n1nnnc1C[NH3+] ZINC000054747749 176018387 /nfs/dbraw/zinc/01/83/87/176018387.db2.gz PLQPELGRMGOZSL-ZETCQYMHSA-N 1 0 237.694 1.395 10 0 BDAERO C[C@@H](c1cccc(Cl)c1)N1CC[C@@H]([NH3+])C1=O ZINC000049659902 176018583 /nfs/dbraw/zinc/01/85/83/176018583.db2.gz WCBWTZVTPQIMTL-GZMMTYOYSA-N 1 0 238.718 1.961 10 0 BDAERO C[C@@H](c1ccccc1)N1C[C@@H]([NH3+])CC1=O ZINC000020274636 176022047 /nfs/dbraw/zinc/02/20/47/176022047.db2.gz BRBZUFYNCDRBQV-ONGXEEELSA-N 1 0 204.273 1.307 10 0 BDAERO C[C@@H](c1ccccc1)N1C[C@H](C[NH3+])OC1=O ZINC000019668900 176022122 /nfs/dbraw/zinc/02/21/22/176022122.db2.gz UCWIUCAEEPLGGF-ONGXEEELSA-N 1 0 220.272 1.527 10 0 BDAERO C[C@@H](c1ccccn1)N(C)[C@H]1CC[NH2+]C1 ZINC000095068188 176026881 /nfs/dbraw/zinc/02/68/81/176026881.db2.gz HJUXXOVXAXQMTE-QWRGUYRKSA-N 1 0 205.305 1.436 10 0 BDAERO C[C@@H](c1nccc(C(C)(C)C)n1)N1CC[NH2+]CC1 ZINC000104057128 176039797 /nfs/dbraw/zinc/03/97/97/176039797.db2.gz PUWXIMLSPRHMGB-NSHDSACASA-N 1 0 248.374 1.740 10 0 BDAERO C[C@H]1c2cc(C[NH3+])cc(Cl)c2NC1=O ZINC000062200817 176047202 /nfs/dbraw/zinc/04/72/02/176047202.db2.gz SLRHLZYZSSWIJF-YFKPBYRVSA-N 1 0 210.664 1.854 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)C=CC1=O ZINC000019972221 176070755 /nfs/dbraw/zinc/07/07/55/176070755.db2.gz PAQPMAZOYCILNC-LLVKDONJSA-N 1 0 236.315 1.176 10 0 BDAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1cccnc1 ZINC000022220102 176075666 /nfs/dbraw/zinc/07/56/66/176075666.db2.gz UUSFDSHCVAQPRZ-YPMHNXCESA-N 1 0 219.332 1.956 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000042860283 176077371 /nfs/dbraw/zinc/07/73/71/176077371.db2.gz OPYRBRUTZHWZOE-GMTAPVOTSA-N 1 0 238.331 1.160 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336775917 176081484 /nfs/dbraw/zinc/08/14/84/176081484.db2.gz DCHINMNOUCBXHM-WISYIIOYSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(N)c2)C1 ZINC000019775330 176096778 /nfs/dbraw/zinc/09/67/78/176096778.db2.gz DTPVAKVBBXWBMN-LLVKDONJSA-N 1 0 247.342 1.939 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1ccccc1O ZINC000071338432 176112769 /nfs/dbraw/zinc/11/27/69/176112769.db2.gz QWVSBEGGUARGNC-ZYHUDNBSSA-N 1 0 248.326 1.510 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)c1cccc(O)c1 ZINC000071338550 176112978 /nfs/dbraw/zinc/11/29/78/176112978.db2.gz MDVHSGRAGKOXPY-MFKMUULPSA-N 1 0 248.326 1.510 10 0 BDAERO C[C@@H]1CCC[C@@H](Oc2ccc(C[NH3+])nn2)C1 ZINC000051542257 176125425 /nfs/dbraw/zinc/12/54/25/176125425.db2.gz VQMABZRBJPJUBM-MWLCHTKSSA-N 1 0 221.304 1.893 10 0 BDAERO C[C@@H]1CCC[C@@H](S(=O)(=O)CCC[NH3+])C1 ZINC000054688624 176125480 /nfs/dbraw/zinc/12/54/80/176125480.db2.gz MUSSJJFRCUSSKS-NXEZZACHSA-N 1 0 219.350 1.329 10 0 BDAERO C[C@@H]1CCC[C@@](C[NH3+])(N2CCn3ccnc3C2)C1 ZINC000062249332 176133903 /nfs/dbraw/zinc/13/39/03/176133903.db2.gz RCGZZURRNKIRLK-TZMCWYRMSA-N 1 0 248.374 1.606 10 0 BDAERO C[C@@H]1CCC[C@@]([NH2+]CC2CC2)(C(N)=O)C1 ZINC000037947062 176134001 /nfs/dbraw/zinc/13/40/01/176134001.db2.gz GTLFGWYWJKDGDM-SKDRFNHKSA-N 1 0 210.321 1.420 10 0 BDAERO C[C@@H]1CCN(C(=O)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000235328873 176156466 /nfs/dbraw/zinc/15/64/66/176156466.db2.gz LUCSIGQXCBDBJA-TZMCWYRMSA-N 1 0 246.354 1.815 10 0 BDAERO C[C@@H]1CCN(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000334970391 176157333 /nfs/dbraw/zinc/15/73/33/176157333.db2.gz XQXMRPFFKHCRAM-MNOVXSKESA-N 1 0 239.363 1.507 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(F)cn1 ZINC000335658706 176185124 /nfs/dbraw/zinc/18/51/24/176185124.db2.gz WWIXFEUDGSQRLL-SCZZXKLOSA-N 1 0 209.268 1.631 10 0 BDAERO C[C@@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1cccnc1 ZINC000127512009 176185935 /nfs/dbraw/zinc/18/59/35/176185935.db2.gz KAAULJITZVBPFE-NQBHXWOUSA-N 1 0 247.342 1.647 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)NCC(C)(C)C)C[NH2+]1 ZINC000040494899 176195655 /nfs/dbraw/zinc/19/56/55/176195655.db2.gz JTCIKTJXRLMTGA-NXEZZACHSA-N 1 0 212.337 1.537 10 0 BDAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)C(C)(C)C ZINC000042438136 176221896 /nfs/dbraw/zinc/22/18/96/176221896.db2.gz QDPSKZISZSWXKX-ZJUUUORDSA-N 1 0 240.347 1.187 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc(O)cc2)C[C@@H](C)[NH2+]1 ZINC000104388847 176261065 /nfs/dbraw/zinc/26/10/65/176261065.db2.gz IIKPTFLZVUIHPS-NXEZZACHSA-N 1 0 234.299 1.215 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCCC2)[C@H](C)CO1 ZINC000035783554 176280405 /nfs/dbraw/zinc/28/04/05/176280405.db2.gz MHUZOZIRJVELMG-GHMZBOCLSA-N 1 0 212.337 1.367 10 0 BDAERO C[C@@H]1C[N@@H+](C2CCC2)CC[S@](=O)C1 ZINC000307698428 176282737 /nfs/dbraw/zinc/28/27/37/176282737.db2.gz HYZXYDPULNASNU-RNCFNFMXSA-N 1 0 201.335 1.239 10 0 BDAERO C[C@@H]1CN(CC[NH2+]C2CC2)CC(C)(C)O1 ZINC000045685032 176290610 /nfs/dbraw/zinc/29/06/10/176290610.db2.gz GMUZZMVZMKXZAP-SNVBAGLBSA-N 1 0 212.337 1.238 10 0 BDAERO CC(C)(C)[C@H](O)CNC(=O)C1CCC([NH3+])CC1 ZINC000324593441 487633317 /nfs/dbraw/zinc/63/33/17/487633317.db2.gz FNZOBTANBGDDCO-VQXHTEKXSA-N 1 0 242.363 1.027 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccncc2)C[C@@H](C)O1 ZINC000033434372 176315260 /nfs/dbraw/zinc/31/52/60/176315260.db2.gz DSUXNRQJWGTYIC-WZRBSPASSA-N 1 0 235.331 1.191 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccs2)C[C@@H](C)O1 ZINC000022169781 176315833 /nfs/dbraw/zinc/31/58/33/176315833.db2.gz FOCRCSWQFQPDBT-MXWKQRLJSA-N 1 0 240.372 1.857 10 0 BDAERO C[C@@H]1CN(c2cncc(Cl)n2)C[C@H]1[NH+](C)C ZINC000251598962 176319656 /nfs/dbraw/zinc/31/96/56/176319656.db2.gz DAHCCFFANGPCMM-RKDXNWHRSA-N 1 0 240.738 1.516 10 0 BDAERO C[C@@H]1CN(c2nc3ccccn3c2C[NH3+])CCO1 ZINC000035434002 176321008 /nfs/dbraw/zinc/32/10/08/176321008.db2.gz VYMLXYFFXRCHLG-SNVBAGLBSA-N 1 0 246.314 1.018 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csnn1 ZINC000126701516 176322483 /nfs/dbraw/zinc/32/24/83/176322483.db2.gz WTCAEZXMOSSHGZ-MWLCHTKSSA-N 1 0 238.360 1.207 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[C@H]1CCOC1 ZINC000300420807 176323455 /nfs/dbraw/zinc/32/34/55/176323455.db2.gz VQJPAAQZSYBYOA-HZSPNIEDSA-N 1 0 238.375 1.582 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOC1CCC1 ZINC000367845943 176323504 /nfs/dbraw/zinc/32/35/04/176323504.db2.gz BTZWDKHZXNMCGJ-CHWSQXEVSA-N 1 0 238.375 1.724 10 0 BDAERO C[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccccn1 ZINC000041233441 176323893 /nfs/dbraw/zinc/32/38/93/176323893.db2.gz JFWRIONHXSWKCQ-LLVKDONJSA-N 1 0 219.332 1.654 10 0 BDAERO C[C@@H]1C[NH+]=C(NC[C@@H]2CCOC2)S1 ZINC000061147013 176324396 /nfs/dbraw/zinc/32/43/96/176324396.db2.gz FJRKHZONQJCJDT-SFYZADRCSA-N 1 0 200.307 1.104 10 0 BDAERO C[C@@H]1C[NH2+]CCN1C(=O)C1[C@@H]2CCCC[C@H]12 ZINC000124802543 176326099 /nfs/dbraw/zinc/32/60/99/176326099.db2.gz KHPBYBIZYKJZNH-YIBTVLSRSA-N 1 0 222.332 1.243 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)CN(c2cccnc2)C1 ZINC000049662998 176329165 /nfs/dbraw/zinc/32/91/65/176329165.db2.gz SQCULPJVQVBWDK-VXGBXAGGSA-N 1 0 219.332 1.763 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCc1ccccc1 ZINC000111267282 176330196 /nfs/dbraw/zinc/33/01/96/176330196.db2.gz HXYGKMLIVYKMHL-TZMCWYRMSA-N 1 0 246.354 1.591 10 0 BDAERO C[C@H](Cn1cccn1)NC1=[NH+][C@H](C)CS1 ZINC000042542153 176348855 /nfs/dbraw/zinc/34/88/55/176348855.db2.gz UPGGIMJHHXARKV-RKDXNWHRSA-N 1 0 224.333 1.353 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000336656894 176352975 /nfs/dbraw/zinc/35/29/75/176352975.db2.gz PDNLYHDDAVTTNB-UTLUCORTSA-N 1 0 217.378 1.735 10 0 BDAERO C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000336656889 176355808 /nfs/dbraw/zinc/35/58/08/176355808.db2.gz PDNLYHDDAVTTNB-BBBLOLIVSA-N 1 0 217.378 1.735 10 0 BDAERO C[C@@H]1C[C@@H](CO)C[N@@H+]1Cc1ccccc1 ZINC000118503174 176370135 /nfs/dbraw/zinc/37/01/35/176370135.db2.gz XTACUFSBKWAURO-DGCLKSJQSA-N 1 0 205.301 1.889 10 0 BDAERO C[C@@H]1C[C@H]1C(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000019811586 176430327 /nfs/dbraw/zinc/43/03/27/176430327.db2.gz KAJLKXLVRDPFAY-DGCLKSJQSA-N 1 0 247.342 1.415 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NCc1cscn1 ZINC000307272170 176460476 /nfs/dbraw/zinc/46/04/76/176460476.db2.gz NWBLEYDTEHEFII-WCBMZHEXSA-N 1 0 211.334 1.373 10 0 BDAERO C[C@@H]1c2ccccc2N(C)[C@@H]1C1=[NH+]CCN1 ZINC000029336903 176506315 /nfs/dbraw/zinc/50/63/15/176506315.db2.gz HFLSCUSXYKBPTL-SKDRFNHKSA-N 1 0 215.300 1.610 10 0 BDAERO C[C@@](CO)([NH2+]C1CC1)c1ccccc1F ZINC000038124136 176509554 /nfs/dbraw/zinc/50/95/54/176509554.db2.gz PEUUEOXDRNEBBZ-LBPRGKRZSA-N 1 0 209.264 1.785 10 0 BDAERO C[C@@](O)(CC[NH3+])c1ccc(F)c(F)c1 ZINC000071508192 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ZINC000103966499 177182230 /nfs/dbraw/zinc/18/22/30/177182230.db2.gz BTTQLSMNGKDPNS-QCNOEVLYSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000073654911 177222082 /nfs/dbraw/zinc/22/20/82/177222082.db2.gz IKDRTKOHLWOTMQ-JQWIXIFHSA-N 1 0 234.299 1.855 10 0 BDAERO C[C@H]1CN(C/C=C/c2ccccc2)C[C@@H]1[NH3+] ZINC000235637436 177241261 /nfs/dbraw/zinc/24/12/61/177241261.db2.gz WXKQVEZFJJBEBQ-PDCFVHEKSA-N 1 0 216.328 1.979 10 0 BDAERO C[C@H]1C[N@@H+](C2CCC2)CC[S@@](=O)C1 ZINC000307698429 177242786 /nfs/dbraw/zinc/24/27/86/177242786.db2.gz HYZXYDPULNASNU-TVQRCGJNSA-N 1 0 201.335 1.239 10 0 BDAERO C[C@@H]1CN(CC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000037479564 177244906 /nfs/dbraw/zinc/24/49/06/177244906.db2.gz NLEHIOXWNLRPGT-PHIMTYICSA-N 1 0 212.337 1.367 10 0 BDAERO C[C@@H]1CN(Cc2cccc(C(N)=[NH2+])c2)C[C@H](C)O1 ZINC000019503353 177265016 /nfs/dbraw/zinc/26/50/16/177265016.db2.gz CYHQMPHPOABAEO-PHIMTYICSA-N 1 0 247.342 1.580 10 0 BDAERO C[C@@H]1CN(Cc2ccccc2C(N)=[NH2+])C[C@H](C)O1 ZINC000019519628 177265712 /nfs/dbraw/zinc/26/57/12/177265712.db2.gz OBQASJWFZHQQKM-PHIMTYICSA-N 1 0 247.342 1.580 10 0 BDAERO C[C@H]1CN(Cc2ccoc2C[NH3+])C[C@H](C)O1 ZINC000052380459 177267227 /nfs/dbraw/zinc/26/72/27/177267227.db2.gz GRODIIBMSQVSHC-UWVGGRQHSA-N 1 0 224.304 1.348 10 0 BDAERO C[C@@H]1CN(Cc2ccoc2C[NH3+])C[C@H](C)O1 ZINC000052380457 177268498 /nfs/dbraw/zinc/26/84/98/177268498.db2.gz GRODIIBMSQVSHC-AOOOYVTPSA-N 1 0 224.304 1.348 10 0 BDAERO C[C@H]1CN([C@@H](C[NH3+])c2cccs2)CCCO1 ZINC000061913350 177275185 /nfs/dbraw/zinc/27/51/85/177275185.db2.gz IIMJKWUTNCSCSD-QWRGUYRKSA-N 1 0 240.372 1.859 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccn1C ZINC000247030542 177279750 /nfs/dbraw/zinc/27/97/50/177279750.db2.gz GIHPHRXJKFYBIB-RYUDHWBXSA-N 1 0 247.342 1.334 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccoc1 ZINC000022931321 177280249 /nfs/dbraw/zinc/28/02/49/177280249.db2.gz MRBHYZJKKSJHFW-AAEUAGOBSA-N 1 0 220.316 1.948 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOC(C)(C)C ZINC000113266998 177280370 /nfs/dbraw/zinc/28/03/70/177280370.db2.gz JBDJKGRXKVITTI-QWHCGFSZSA-N 1 0 240.391 1.970 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cocn1 ZINC000191943371 177280604 /nfs/dbraw/zinc/28/06/04/177280604.db2.gz PSIRKFKELIDADB-CMPLNLGQSA-N 1 0 221.304 1.343 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cncc(F)c1 ZINC000274320741 177280959 /nfs/dbraw/zinc/28/09/59/177280959.db2.gz CTGXUWODAVTENR-SMDDNHRTSA-N 1 0 249.333 1.889 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1c(F)cccc1F ZINC000104204979 177285318 /nfs/dbraw/zinc/28/53/18/177285318.db2.gz DRRBPGSVZXHYMG-YUMQZZPRSA-N 1 0 240.253 1.759 10 0 BDAERO C[C@H]1COCCN1Cc1cccc(C[NH3+])c1 ZINC000035774116 177293044 /nfs/dbraw/zinc/29/30/44/177293044.db2.gz WSJCLZCUZQHDEM-NSHDSACASA-N 1 0 220.316 1.366 10 0 BDAERO C[C@H]1COCCN1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000035775401 177293867 /nfs/dbraw/zinc/29/38/67/177293867.db2.gz PCUMNVGAEPFCES-SUHUHFCYSA-N 1 0 248.326 1.168 10 0 BDAERO C[C@H]1COC[C@@H](CCc2ccccc2)[NH2+]1 ZINC000071509377 177299597 /nfs/dbraw/zinc/29/95/97/177299597.db2.gz NHZQAUFSCLLOPM-WCQYABFASA-N 1 0 205.301 1.996 10 0 BDAERO C[C@H]1C[C@@H](C(=O)N2CCC(F)(F)C2)CC[N@@H+]1C ZINC000336333921 177307845 /nfs/dbraw/zinc/30/78/45/177307845.db2.gz GDBDRMJWFGPVSC-UWVGGRQHSA-N 1 0 246.301 1.584 10 0 BDAERO C[C@@H]1C[C@H](C)C[N@@H+](C[C@]2(CO)CCCOC2)C1 ZINC000104323258 177312736 /nfs/dbraw/zinc/31/27/36/177312736.db2.gz XFVPYDUUDMNERW-MJBXVCDLSA-N 1 0 241.375 1.753 10 0 BDAERO C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000037757828 177339426 /nfs/dbraw/zinc/33/94/26/177339426.db2.gz WLIXFICLSKCVRJ-GWCFXTLKSA-N 1 0 232.327 1.760 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000052287854 177350288 /nfs/dbraw/zinc/35/02/88/177350288.db2.gz JIAVSFPCRREOMA-ONGXEEELSA-N 1 0 201.273 1.832 10 0 BDAERO C[C@H]1C[C@@H]1c1ccc(C[C@@H](C[NH3+])CO)o1 ZINC000019274584 177351223 /nfs/dbraw/zinc/35/12/23/177351223.db2.gz HVCZUWDMJPQXKM-QXEWZRGKSA-N 1 0 209.289 1.513 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487886215 /nfs/dbraw/zinc/88/62/15/487886215.db2.gz QKDLLMIOTHAZTR-GWOFURMSSA-N 1 0 213.321 1.303 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCC1CC1 ZINC000157313309 487910592 /nfs/dbraw/zinc/91/05/92/487910592.db2.gz WJJFKKGGXFIBSR-NSHDSACASA-N 1 0 212.337 1.666 10 0 BDAERO [NH3+]C1CCC(C(=O)NC2CCSCC2)CC1 ZINC000157571749 487914715 /nfs/dbraw/zinc/91/47/15/487914715.db2.gz PRKHGUNKDIUYDM-UHFFFAOYSA-N 1 0 242.388 1.516 10 0 BDAERO C[C@@H]1C[C@@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000157537224 487914945 /nfs/dbraw/zinc/91/49/45/487914945.db2.gz ZAFSNDSMQAEZHF-BZCXBAJXSA-N 1 0 210.321 1.276 10 0 BDAERO CN(CC(F)F)C(=O)C1CCC([NH3+])CC1 ZINC000157559257 487915051 /nfs/dbraw/zinc/91/50/51/487915051.db2.gz DUZMPJBLIXXIND-UHFFFAOYSA-N 1 0 220.263 1.227 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1O ZINC000093654871 487915749 /nfs/dbraw/zinc/91/57/49/487915749.db2.gz LIRIIJIOXJMOMT-JTQLQIEISA-N 1 0 234.299 1.639 10 0 BDAERO CCC1(NC(=O)C[C@H]([NH3+])C(C)C)CCC1 ZINC000229496269 487920487 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487956202 /nfs/dbraw/zinc/95/62/02/487956202.db2.gz OJNAQRXXIALJCZ-UWVGGRQHSA-N 1 0 236.319 1.359 10 0 BDAERO COCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000247132123 323012251 /nfs/dbraw/zinc/01/22/51/323012251.db2.gz ASTWLTHOLRICSA-SDDRHHMPSA-N 1 0 215.337 1.695 10 0 BDAERO Cc1cccnc1CC[NH2+]C[C@H](O)C(C)(C)C ZINC000404870641 323031641 /nfs/dbraw/zinc/03/16/41/323031641.db2.gz FRQHIZVLWUTLPL-ZDUSSCGKSA-N 1 0 236.359 1.929 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000570740722 323069237 /nfs/dbraw/zinc/06/92/37/323069237.db2.gz PKRKGDQZALDMIO-JHJVBQTASA-N 1 0 243.347 1.075 10 0 BDAERO Cc1oncc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000525833517 323100099 /nfs/dbraw/zinc/10/00/99/323100099.db2.gz JTENZGYGZWGGTN-JTQLQIEISA-N 1 0 210.277 1.187 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000111716104 323163322 /nfs/dbraw/zinc/16/33/22/323163322.db2.gz AVGJRNGFNAJSET-GHMZBOCLSA-N 1 0 246.358 1.529 10 0 BDAERO COCCOCCCC[NH2+]CC1CCOCC1 ZINC000122426888 323169022 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ZINC000158314640 326315533 /nfs/dbraw/zinc/31/55/33/326315533.db2.gz FPCWZCJROKZIDS-GWCFXTLKSA-N 1 0 248.326 1.912 10 0 BDAERO O=C(NCC(C1CC1)C1CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000568507569 326360869 /nfs/dbraw/zinc/36/08/69/326360869.db2.gz AKLJQOLFPVNTHK-CMPLNLGQSA-N 1 0 240.322 1.239 10 0 BDAERO CC1CC(C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000568999403 326385896 /nfs/dbraw/zinc/38/58/96/326385896.db2.gz HASABHSCVZNZHE-KAVNDROISA-N 1 0 220.263 1.131 10 0 BDAERO COc1ccnc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000165729590 326426081 /nfs/dbraw/zinc/42/60/81/326426081.db2.gz PWISSTVKKUNCQJ-HTQZYQBOSA-N 1 0 210.281 1.023 10 0 BDAERO C[C@@H](C[NH2+][C@H]1CCC(=O)N[C@H]1C)C(C)(C)C ZINC000309568972 487986473 /nfs/dbraw/zinc/98/64/73/487986473.db2.gz NASHJCCXCXVFHZ-DCAQKATOSA-N 1 0 226.364 1.925 10 0 BDAERO O=C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000401479304 488029290 /nfs/dbraw/zinc/02/92/90/488029290.db2.gz UDZVQBDCXPMQFX-RNJOBUHISA-N 1 0 248.370 1.823 10 0 BDAERO OCc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000227574863 488035244 /nfs/dbraw/zinc/03/52/44/488035244.db2.gz CIYKFFRYYOOGHE-UHFFFAOYSA-N 1 0 221.300 1.039 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CCCCC1 ZINC000084308433 488042313 /nfs/dbraw/zinc/04/23/13/488042313.db2.gz OMJFFGGCESCWCD-JQWIXIFHSA-N 1 0 224.348 1.810 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1CCCC1 ZINC000084309376 488043631 /nfs/dbraw/zinc/04/36/31/488043631.db2.gz JOPOQDLURKIAPC-NWDGAFQWSA-N 1 0 224.348 1.668 10 0 BDAERO CC[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309932 488043797 /nfs/dbraw/zinc/04/37/97/488043797.db2.gz GMFFBDPOEMIONP-IJLUTSLNSA-N 1 0 224.348 1.762 10 0 BDAERO CC(C)CCN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084309878 488043858 /nfs/dbraw/zinc/04/38/58/488043858.db2.gz HEWDVJDDDNJLAJ-NWDGAFQWSA-N 1 0 226.364 1.866 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1cscn1 ZINC000084310981 488045028 /nfs/dbraw/zinc/04/50/28/488045028.db2.gz BFAJBXLZCJIACH-SCZZXKLOSA-N 1 0 239.344 1.134 10 0 BDAERO CN(CC(C)(C)C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084310527 488044899 /nfs/dbraw/zinc/04/48/99/488044899.db2.gz SNCVQCAISPTZPZ-WDEREUQCSA-N 1 0 226.364 1.866 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccccc1 ZINC000091496801 488054256 /nfs/dbraw/zinc/05/42/56/488054256.db2.gz YNIKHXNCOHSUSU-CMPLNLGQSA-N 1 0 233.315 1.949 10 0 BDAERO Cc1nc(CNC(=O)C[C@@H]([NH3+])C(C)C)cs1 ZINC000128996250 488062195 /nfs/dbraw/zinc/06/21/95/488062195.db2.gz VAPFTOSSFLLHGA-SNVBAGLBSA-N 1 0 241.360 1.441 10 0 BDAERO C[C@@H]1C[C@H](O)C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000401773091 488065033 /nfs/dbraw/zinc/06/50/33/488065033.db2.gz XQEOFOGWMCKBSX-LPWJVIDDSA-N 1 0 227.348 1.240 10 0 BDAERO CN1CCO[C@H](C[N@H+](C)Cc2cccc(N)c2)C1 ZINC000092058323 488079653 /nfs/dbraw/zinc/07/96/53/488079653.db2.gz TUJBJVADGORIJW-AWEZNQCLSA-N 1 0 249.358 1.031 10 0 BDAERO Cc1cc(NC(=O)C2CCC([NH3+])CC2)ccn1 ZINC000257749593 488087919 /nfs/dbraw/zinc/08/79/19/488087919.db2.gz ZNXMSUNQMKZBSD-UHFFFAOYSA-N 1 0 233.315 1.846 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)CC1=CCCCC1 ZINC000389373091 488092505 /nfs/dbraw/zinc/09/25/05/488092505.db2.gz MZQWDQWUGRLMKZ-JTQLQIEISA-N 1 0 210.321 1.601 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(CO)ccn1 ZINC000092633807 488099587 /nfs/dbraw/zinc/09/95/87/488099587.db2.gz MKHOMOSRIHWLSW-ZDUSSCGKSA-N 1 0 249.358 1.494 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667796674 488123676 /nfs/dbraw/zinc/12/36/76/488123676.db2.gz RNUBRSXBLOMKBY-BFHYXJOUSA-N 1 0 238.375 1.628 10 0 BDAERO OC[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CCO1 ZINC000403583811 488128455 /nfs/dbraw/zinc/12/84/55/488128455.db2.gz CMHWKZVWXJDSPD-XQHKEYJVSA-N 1 0 225.332 1.116 10 0 BDAERO OC[C@H]1COCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000168901619 487551062 /nfs/dbraw/zinc/55/10/62/487551062.db2.gz NFKZLMAEVMVZDR-OLZOCXBDSA-N 1 0 233.311 1.019 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccn1 ZINC000128851889 487531149 /nfs/dbraw/zinc/53/11/49/487531149.db2.gz XXJATWYXDFKIKT-SECBINFHSA-N 1 0 207.277 1.394 10 0 BDAERO CC1(C)COCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000390203263 488141092 /nfs/dbraw/zinc/14/10/92/488141092.db2.gz RJLKTBJCEYVTEM-NEPJUHHUSA-N 1 0 227.348 1.648 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCc1cncn1C ZINC000399318846 487470784 /nfs/dbraw/zinc/47/07/84/487470784.db2.gz HGAHJWPYIIJEOX-AAEUAGOBSA-N 1 0 237.347 1.198 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)CC[C@@H](C)[NH3+])o1 ZINC000231743077 487472278 /nfs/dbraw/zinc/47/22/78/487472278.db2.gz YBKJQWLESWSMQM-VXNVDRBHSA-N 1 0 225.292 1.288 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C[C@@H]1CCOc2ccccc21 ZINC000310734552 487482586 /nfs/dbraw/zinc/48/25/86/487482586.db2.gz DEKXFUFRLPNPRQ-DYEKYZERSA-N 1 0 246.354 1.974 10 0 BDAERO Cc1ccccc1OCC(=O)N1CCC[C@H]1C[NH3+] ZINC000237543390 487483565 /nfs/dbraw/zinc/48/35/65/487483565.db2.gz IJNWHIMRXGNPEJ-LBPRGKRZSA-N 1 0 248.326 1.324 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1 ZINC000061884353 487487336 /nfs/dbraw/zinc/48/73/36/487487336.db2.gz QLFKQBSQEJNSPC-JQWIXIFHSA-N 1 0 233.315 1.936 10 0 BDAERO CN(CCO)CC[N@H+](C)C1CCCCC1 ZINC000674005516 487496542 /nfs/dbraw/zinc/49/65/42/487496542.db2.gz GJTOFEZADORLGX-UHFFFAOYSA-N 1 0 214.353 1.175 10 0 BDAERO CO[C@@H]1CCC[N@H+](CC(C)(C)O)CC1 ZINC000679951767 487502004 /nfs/dbraw/zinc/50/20/04/487502004.db2.gz SFMUJGNUVFLBLD-SNVBAGLBSA-N 1 0 201.310 1.258 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000063099970 487513114 /nfs/dbraw/zinc/51/31/14/487513114.db2.gz CGIPCTBHVJUBOZ-HTQZYQBOSA-N 1 0 211.227 1.832 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1ccnc(OC)c1 ZINC000304663697 487513525 /nfs/dbraw/zinc/51/35/25/487513525.db2.gz ZZYORJMLHFPFIQ-VIFPVBQESA-N 1 0 223.276 1.156 10 0 BDAERO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC(CO)C1 ZINC000668780147 487526201 /nfs/dbraw/zinc/52/62/01/487526201.db2.gz LEIFTLKNZFZEHH-PKSQDBQZSA-N 1 0 235.327 1.684 10 0 BDAERO CC(C)[C@H](C)[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404034526 488145149 /nfs/dbraw/zinc/14/51/49/488145149.db2.gz YDEDSQNJUODSEO-QJPTWQEYSA-N 1 0 212.337 1.094 10 0 BDAERO Cc1cc(Br)cnc1NC[C@H](C)[NH3+] ZINC000086708550 487535648 /nfs/dbraw/zinc/53/56/48/487535648.db2.gz QYSIOVZFSDOPQJ-ZETCQYMHSA-N 1 0 244.136 1.912 10 0 BDAERO CCCn1nccc1C[NH2+][C@H]1CCO[C@H]1C ZINC000164856798 487903284 /nfs/dbraw/zinc/90/32/84/487903284.db2.gz BTDGCUGEZVNBQT-JQWIXIFHSA-N 1 0 223.320 1.560 10 0 BDAERO CCC(CC)n1ccc(Cn2cc(C[NH3+])nn2)n1 ZINC000085184818 488134856 /nfs/dbraw/zinc/13/48/56/488134856.db2.gz MFNIMAQKKRJUFQ-UHFFFAOYSA-N 1 0 248.334 1.343 10 0 BDAERO C[C@@H]1COCCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000390102294 488136776 /nfs/dbraw/zinc/13/67/76/488136776.db2.gz AMZRKOQHACSIOC-JHJVBQTASA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667858586 488140651 /nfs/dbraw/zinc/14/06/51/488140651.db2.gz SYFCRRAMUTZRLO-QJPTWQEYSA-N 1 0 227.348 1.551 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657879052 488160994 /nfs/dbraw/zinc/16/09/94/488160994.db2.gz NGACUXMKVMXISN-QWRGUYRKSA-N 1 0 227.348 1.695 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000390528615 488164497 /nfs/dbraw/zinc/16/44/97/488164497.db2.gz HTROPWCFQQHRRZ-GRYCIOLGSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC000223552389 488168197 /nfs/dbraw/zinc/16/81/97/488168197.db2.gz HIHWUJCILZMRNU-BXUZGUMPSA-N 1 0 246.354 1.645 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000160873775 488174569 /nfs/dbraw/zinc/17/45/69/488174569.db2.gz ACAUEQMACZQGGF-GMTAPVOTSA-N 1 0 233.315 1.114 10 0 BDAERO Cc1nn(C)c(C)c1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136436716 488179734 /nfs/dbraw/zinc/17/97/34/488179734.db2.gz VBDFMVBSBQURJE-JTQLQIEISA-N 1 0 238.335 1.349 10 0 BDAERO CCCCNC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000085727385 488202331 /nfs/dbraw/zinc/20/23/31/488202331.db2.gz VEQAOGGZIJRAGL-UWVGGRQHSA-N 1 0 213.325 1.226 10 0 BDAERO c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398415493 488219208 /nfs/dbraw/zinc/21/92/08/488219208.db2.gz VUGBTLJFKKUUAJ-OLZOCXBDSA-N 1 0 246.354 1.752 10 0 BDAERO Cc1cnc(C[NH2+]CC[C@@H]2CCCO2)o1 ZINC000231651699 488219376 /nfs/dbraw/zinc/21/93/76/488219376.db2.gz MDFBHONISHSSEN-JTQLQIEISA-N 1 0 210.277 1.642 10 0 BDAERO CCN(CC(C)C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290735 488237495 /nfs/dbraw/zinc/23/74/95/488237495.db2.gz YCELGUWHIWXYMU-LBPRGKRZSA-N 1 0 226.364 1.881 10 0 BDAERO COC1(CC(=O)N[C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000234615706 490140013 /nfs/dbraw/zinc/14/00/13/490140013.db2.gz QRNLABDNBZRQLD-QWRGUYRKSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CN1C1CC1 ZINC000129554016 490151225 /nfs/dbraw/zinc/15/12/25/490151225.db2.gz JOEITBPPUXFPNL-NMKXLXIOSA-N 1 0 238.375 1.505 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nccn1C ZINC000246495389 490204223 /nfs/dbraw/zinc/20/42/23/490204223.db2.gz MQZCTMQXPIZJRB-STQMWFEESA-N 1 0 248.374 1.479 10 0 BDAERO CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000124009177 490271269 /nfs/dbraw/zinc/27/12/69/490271269.db2.gz HDHVSAMYZPVSLB-RYUDHWBXSA-N 1 0 237.347 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CC[C@@H]([NH3+])c1noc(C(F)(F)Cl)n1 ZINC000095532803 522657289 /nfs/dbraw/zinc/65/72/89/522657289.db2.gz VTBSOLBDUDWEPK-GSVOUGTGSA-N 1 0 211.599 1.768 10 0 BDAERO C[C@@H](C[NH3+])NC(=O)c1cnc2ccccc2c1 ZINC000310214297 524585318 /nfs/dbraw/zinc/58/53/18/524585318.db2.gz HVRHVEDQPPAHSS-VIFPVBQESA-N 1 0 229.283 1.312 10 0 BDAERO Cc1ccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)cc1C ZINC000229018120 525948898 /nfs/dbraw/zinc/94/88/98/525948898.db2.gz AIKJZAZWWUNBHV-VBROQKIQSA-N 1 0 244.338 1.876 10 0 BDAERO C[NH2+]Cc1cccnc1N1CCO[C@@H](C)C1 ZINC000051400103 536470496 /nfs/dbraw/zinc/47/04/96/536470496.db2.gz FKCHJYQLZZDCBX-JTQLQIEISA-N 1 0 221.304 1.026 10 0 BDAERO [NH3+][C@@H]1CCN(c2nc3cccnc3s2)C1 ZINC000229015986 527363722 /nfs/dbraw/zinc/36/37/22/527363722.db2.gz KMRRGODQIVJLFX-SSDOTTSWSA-N 1 0 220.301 1.229 10 0 BDAERO CC(C)=C(F)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185030714 527387897 /nfs/dbraw/zinc/38/78/97/527387897.db2.gz VPBBMJDFDWBNPP-IVZWLZJFSA-N 1 0 226.295 1.446 10 0 BDAERO CC(C)COCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401894877 528097448 /nfs/dbraw/zinc/09/74/48/528097448.db2.gz JKRNNHHGTOOJHR-NEPJUHHUSA-N 1 0 215.337 1.362 10 0 BDAERO CC[C@H](C[N@@H+]1C[C@H](C)C[C@@H](O)C1)OC ZINC000401799863 529336634 /nfs/dbraw/zinc/33/66/34/529336634.db2.gz KJNVSCXFWAWOGG-GMTAPVOTSA-N 1 0 201.310 1.114 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2CCCOC2)[C@@H]2CCO[C@@H]21 ZINC000224433090 535079028 /nfs/dbraw/zinc/07/90/28/535079028.db2.gz ZFSUTOZJDHQIPE-YFKTTZPYSA-N 1 0 225.332 1.569 10 0 BDAERO CC(C)C[NH+]1CCN(c2ccc(N)nc2)CC1 ZINC000035367754 535105790 /nfs/dbraw/zinc/10/57/90/535105790.db2.gz GLEGVQXZOJSYSA-UHFFFAOYSA-N 1 0 234.347 1.442 10 0 BDAERO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000020221119 535127976 /nfs/dbraw/zinc/12/79/76/535127976.db2.gz FEXHNOYMZDGDAR-UHFFFAOYSA-N 1 0 247.342 1.236 10 0 BDAERO CC(C)(O)CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227337777 535286809 /nfs/dbraw/zinc/28/68/09/535286809.db2.gz ALTNMNVADRVFBF-VXGBXAGGSA-N 1 0 227.348 1.791 10 0 BDAERO CC(C)(O)CC[NH2+]CC1CCOCC1 ZINC000086235987 535293317 /nfs/dbraw/zinc/29/33/17/535293317.db2.gz QCYHXSOJLSVOMG-UHFFFAOYSA-N 1 0 201.310 1.164 10 0 BDAERO CC(C)(O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253099524 535304262 /nfs/dbraw/zinc/30/42/62/535304262.db2.gz VCDJFBPVHLDLSU-JHJVBQTASA-N 1 0 241.375 1.773 10 0 BDAERO CCOC1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043569037 535400156 /nfs/dbraw/zinc/40/01/56/535400156.db2.gz RHCQFJBNMYXEQG-UHFFFAOYSA-N 1 0 221.304 1.669 10 0 BDAERO CC[NH2+]C1CCN(c2ccc(F)cn2)CC1 ZINC000041045254 535453409 /nfs/dbraw/zinc/45/34/09/535453409.db2.gz ZOPLISQBAGJKBZ-UHFFFAOYSA-N 1 0 223.295 1.799 10 0 BDAERO CC[NH2+]Cc1cccc(N2C[C@@H](C)OC[C@@H]2C)n1 ZINC000051444209 535479256 /nfs/dbraw/zinc/47/92/56/535479256.db2.gz YNRIVQJPJBZXKB-NWDGAFQWSA-N 1 0 249.358 1.805 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000252731507 535494307 /nfs/dbraw/zinc/49/43/07/535494307.db2.gz QFDMJGYMHVHEBJ-OUAUKWLOSA-N 1 0 231.361 1.342 10 0 BDAERO CC[NH2+][C@H](C)[C@H]1CCCN(c2ccncn2)C1 ZINC000104421829 535516517 /nfs/dbraw/zinc/51/65/17/535516517.db2.gz JIMISVQQQHSDLB-NEPJUHHUSA-N 1 0 234.347 1.691 10 0 BDAERO CCNc1cc(C)[nH+]c(N2CCOCC2)n1 ZINC000050848887 535520430 /nfs/dbraw/zinc/52/04/30/535520430.db2.gz QGLGETVWRXSIAS-UHFFFAOYSA-N 1 0 222.292 1.053 10 0 BDAERO CC[C@@H](C)[NH+]1CCN(c2ccc(N)cn2)CC1 ZINC000035367903 535565652 /nfs/dbraw/zinc/56/56/52/535565652.db2.gz PZRANVUOLJSASO-LLVKDONJSA-N 1 0 234.347 1.584 10 0 BDAERO CC[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000262615016 535797439 /nfs/dbraw/zinc/79/74/39/535797439.db2.gz YZJRXANEKFSBLL-GXSJLCMTSA-N 1 0 226.364 1.783 10 0 BDAERO CCn1nccc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261565038 535870459 /nfs/dbraw/zinc/87/04/59/535870459.db2.gz YBCFIQDFGNNNCK-GFCCVEGCSA-N 1 0 236.363 1.462 10 0 BDAERO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261558113 535938506 /nfs/dbraw/zinc/93/85/06/535938506.db2.gz XVIHCNDVGKJVHX-JFGNBEQYSA-N 1 0 210.321 1.148 10 0 BDAERO CN(C(=O)CCc1cccs1)C1C[NH2+]C1 ZINC000261550476 535978725 /nfs/dbraw/zinc/97/87/25/535978725.db2.gz PMFNQOHJHIMPEM-UHFFFAOYSA-N 1 0 224.329 1.111 10 0 BDAERO CCc1c(C)ncnc1N1CCC([NH3+])CC1 ZINC000045950935 536072652 /nfs/dbraw/zinc/07/26/52/536072652.db2.gz KGJVBDZVGLTAOK-UHFFFAOYSA-N 1 0 220.320 1.275 10 0 BDAERO C[NH2+][C@@H](C)CNc1cc(C)nc(C(C)C)n1 ZINC000261569065 536344570 /nfs/dbraw/zinc/34/45/70/536344570.db2.gz GBDQSCOERSWSGJ-JTQLQIEISA-N 1 0 222.336 1.928 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2cc(C)ccc2C(N)=O)C1 ZINC000053204987 536365547 /nfs/dbraw/zinc/36/55/47/536365547.db2.gz CREVVBTVBKAGAA-LLVKDONJSA-N 1 0 247.342 1.282 10 0 BDAERO C[NH2+][C@H]1CCCN(Cc2ccn(C(F)F)n2)C1 ZINC000262107569 536412843 /nfs/dbraw/zinc/41/28/43/536412843.db2.gz WCOYCFAEAYGRJA-VIFPVBQESA-N 1 0 244.289 1.462 10 0 BDAERO C[NH2+]Cc1ccc(N2C[C@@H](C)OC[C@H]2C)nc1 ZINC000051444388 536469680 /nfs/dbraw/zinc/46/96/80/536469680.db2.gz FMFADUABMLAGJX-GHMZBOCLSA-N 1 0 235.331 1.415 10 0 BDAERO COC1(C)CC[NH+](CC2(O)CCC2)CC1 ZINC000335558394 536563150 /nfs/dbraw/zinc/56/31/50/536563150.db2.gz VRIPMMACBUVDOG-UHFFFAOYSA-N 1 0 213.321 1.402 10 0 BDAERO COC(=O)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)nc1 ZINC000351729723 536683052 /nfs/dbraw/zinc/68/30/52/536683052.db2.gz HVSNYRSSNQOKGP-YPMHNXCESA-N 1 0 246.310 1.853 10 0 BDAERO C[NH2+][C@@H]1CCC(C)(C)C[C@H]1S(=O)(=O)C(C)C ZINC000081981457 537846772 /nfs/dbraw/zinc/84/67/72/537846772.db2.gz CEJQWSRYXRMFSS-GHMZBOCLSA-N 1 0 247.404 1.976 10 0 BDAERO O=C1[C@@H]([C@@H]2CCC[NH2+]2)COC12CCCC2 ZINC000725257050 538059864 /nfs/dbraw/zinc/05/98/64/538059864.db2.gz HAXNPRWBMFEZFE-ZJUUUORDSA-N 1 0 209.289 1.267 10 0 BDAERO Clc1cnc2c(cnn2C2C[NH2+]C2)c1Cl ZINC000725259309 566306032 /nfs/dbraw/zinc/30/60/32/566306032.db2.gz VSINNWSFIAFSAU-UHFFFAOYSA-N 1 0 243.097 1.882 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc2c[nH]nc2c1 ZINC000136353816 566382221 /nfs/dbraw/zinc/38/22/21/566382221.db2.gz PMUHACVNRVBGKX-NSHDSACASA-N 1 0 246.314 1.875 10 0 BDAERO Cc1cc2c(ncnc2N2CCC[C@@H]([NH3+])C2)s1 ZINC000111237565 588731658 /nfs/dbraw/zinc/73/16/58/588731658.db2.gz SXWPRJPYRPPMRF-SECBINFHSA-N 1 0 248.355 1.927 10 0 BDAERO C[NH2+]Cc1sc([C@H](O)[C@@H]2C[C@H]2C)nc1C ZINC000757123853 582498232 /nfs/dbraw/zinc/49/82/32/582498232.db2.gz BFVZVDFGVGCXJL-GTNGPMTGSA-N 1 0 226.345 1.860 10 0 BDAERO CCCC(=O)c1nc(C)c(CC[NH3+])s1 ZINC000757124836 582499281 /nfs/dbraw/zinc/49/92/81/582499281.db2.gz PJQCSYWHURFRFU-UHFFFAOYSA-N 1 0 212.318 1.936 10 0 BDAERO C[C@@H]1C[C@H]1[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757126430 582500576 /nfs/dbraw/zinc/50/05/76/582500576.db2.gz FRMAEGNKRRCBJI-BNOWGMLFSA-N 1 0 220.360 1.955 10 0 BDAERO C[NH2+]Cc1csc([C@@H](O)C2CCC2)n1 ZINC000757130664 582504488 /nfs/dbraw/zinc/50/44/88/582504488.db2.gz QLBVXKKMUQLTIS-VIFPVBQESA-N 1 0 212.318 1.696 10 0 BDAERO Cc1nc([C@H](O)C2(C)CC2)sc1CC[NH3+] ZINC000757131263 582505730 /nfs/dbraw/zinc/50/57/30/582505730.db2.gz RHFILDBBZQWIFN-VIFPVBQESA-N 1 0 226.345 1.786 10 0 BDAERO COC[C@@H](C)[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757133839 582510611 /nfs/dbraw/zinc/51/06/11/582510611.db2.gz VDOZXUMQBILGKM-TZMCWYRMSA-N 1 0 238.375 1.582 10 0 BDAERO C[NH2+]Cc1sc([C@@H](O)C(C)(C)F)nc1C ZINC000757134466 582511504 /nfs/dbraw/zinc/51/15/04/582511504.db2.gz YILUQMZEEUPEIT-MRVPVSSYSA-N 1 0 232.324 1.952 10 0 BDAERO CC1(C)CCC[C@@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757138191 582517148 /nfs/dbraw/zinc/51/71/48/582517148.db2.gz BBBXRJVXQMWQNE-CYBMUJFWSA-N 1 0 225.332 1.919 10 0 BDAERO C1CC2(C1)C[NH2+][C@]1(CCCSC1)OC2 ZINC000757138580 582517844 /nfs/dbraw/zinc/51/78/44/582517844.db2.gz CMBRSANSIBWTFT-LLVKDONJSA-N 1 0 213.346 2.000 10 0 BDAERO FC(F)[C@H]1CC[NH2+][C@@]2(CCSC2)O1 ZINC000757138379 582517853 /nfs/dbraw/zinc/51/78/53/582517853.db2.gz BRNVUHMZSGRYIK-SVRRBLITSA-N 1 0 209.261 1.463 10 0 BDAERO C1CC1[C@H]1CCO[C@@]2(CN3CCC2CC3)[NH2+]1 ZINC000757139374 582519628 /nfs/dbraw/zinc/51/96/28/582519628.db2.gz GTPLKZUSLJKCTG-CHWSQXEVSA-N 1 0 222.332 1.197 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ccc2c(n1)CCC2 ZINC000757140710 582521182 /nfs/dbraw/zinc/52/11/82/582521182.db2.gz FIZCEGKNJQUACY-SNVBAGLBSA-N 1 0 203.289 1.108 10 0 BDAERO FC(F)[C@H]1CC[NH2+]C2(CCOCC2)O1 ZINC000757144790 582525367 /nfs/dbraw/zinc/52/53/67/582525367.db2.gz NVFDTOFHCZUNQG-SSDOTTSWSA-N 1 0 207.220 1.137 10 0 BDAERO CC1(C)C[NH2+][C@@]2(CN3CCC2CC3)OC1(C)C ZINC000757144611 582525482 /nfs/dbraw/zinc/52/54/82/582525482.db2.gz GHLZELORTMZFLR-AWEZNQCLSA-N 1 0 238.375 1.833 10 0 BDAERO CCC1(CC)CC[NH2+][C@]2(CN3CCC2CC3)O1 ZINC000757144314 582525595 /nfs/dbraw/zinc/52/55/95/582525595.db2.gz NRISXIRZCXECRK-CQSZACIVSA-N 1 0 238.375 1.977 10 0 BDAERO CC1(C)CCC[C@H](CN2CC[C@H]2C[NH3+])O1 ZINC000757145514 582527924 /nfs/dbraw/zinc/52/79/24/582527924.db2.gz MUUHQTRUBOSGAX-WDEREUQCSA-N 1 0 212.337 1.367 10 0 BDAERO Cc1ccc(F)cc1CN1CC[C@@H]1C[NH3+] ZINC000757146337 582529695 /nfs/dbraw/zinc/52/96/95/582529695.db2.gz QAIJAMQJXZQAHI-GFCCVEGCSA-N 1 0 208.280 1.667 10 0 BDAERO CC[C@@H]1[NH2+]CC(C)(C)[C@]2(CCCOC2)O1 ZINC000757146966 582530483 /nfs/dbraw/zinc/53/04/83/582530483.db2.gz RNGOKFABKHRAIG-ZYHUDNBSSA-N 1 0 213.321 1.918 10 0 BDAERO CC(C)[C@H]1C[NH2+][C@]2(CN3CCC2CC3)OC1 ZINC000757146905 582530583 /nfs/dbraw/zinc/53/05/83/582530583.db2.gz LSXCCLSGYOLHQV-WCQYABFASA-N 1 0 224.348 1.300 10 0 BDAERO C[C@@H]1OC2(CC[NH+](C3CC3)CC2)[NH2+]CC1(C)C ZINC000757150075 582534171 /nfs/dbraw/zinc/53/41/71/582534171.db2.gz PWNNIUQMHXVXBA-NSHDSACASA-N 1 0 238.375 1.975 10 0 BDAERO C[C@H]1O[C@@]2(CCSC2)[NH2+]CC1(C)C ZINC000757151603 582535445 /nfs/dbraw/zinc/53/54/45/582535445.db2.gz SWDIUBVVBRAXEC-PSASIEDQSA-N 1 0 201.335 1.854 10 0 BDAERO FC(F)[C@H]1CC[NH2+]C2(CCSCC2)O1 ZINC000757150620 582535126 /nfs/dbraw/zinc/53/51/26/582535126.db2.gz YOYQBHFMONGTLS-SSDOTTSWSA-N 1 0 223.288 1.853 10 0 BDAERO c1coc([C@H]2CCOC3(CC[NH2+]CC3)N2)c1 ZINC000757152456 582536554 /nfs/dbraw/zinc/53/65/54/582536554.db2.gz SKMVGGJPMHWRGX-SNVBAGLBSA-N 1 0 222.288 1.410 10 0 BDAERO CCCN(CCC)S(=O)(=O)C[C@@H]([NH3+])CC ZINC000757152455 582536568 /nfs/dbraw/zinc/53/65/68/582536568.db2.gz MAGUDIGSOGOKQM-JTQLQIEISA-N 1 0 236.381 1.176 10 0 BDAERO Cc1ccoc1CS[C@H](CO)[C@@H](C)[NH3+] ZINC000757163657 582544590 /nfs/dbraw/zinc/54/45/90/582544590.db2.gz DKOLJAUIGFJVFO-PSASIEDQSA-N 1 0 215.318 1.529 10 0 BDAERO Cc1ccoc1CS[C@H](CO)[C@H](C)[NH3+] ZINC000757163662 582545054 /nfs/dbraw/zinc/54/50/54/582545054.db2.gz DKOLJAUIGFJVFO-WCBMZHEXSA-N 1 0 215.318 1.529 10 0 BDAERO Cc1nn(-c2cc(F)cc(F)c2)cc1C(N)=[NH2+] ZINC000757195133 582558149 /nfs/dbraw/zinc/55/81/49/582558149.db2.gz DOOSYWQUHJPDTN-UHFFFAOYSA-N 1 0 236.225 1.743 10 0 BDAERO CCC(CC)Cn1cc(C(N)=[NH2+])c(C)n1 ZINC000757196066 582558293 /nfs/dbraw/zinc/55/82/93/582558293.db2.gz OSYYGXWYZHQWJU-UHFFFAOYSA-N 1 0 208.309 1.912 10 0 BDAERO CC(=O)c1cccc([C@@H]2NCC[C@H](C)[C@@H]2[NH3+])c1 ZINC000757209839 582560023 /nfs/dbraw/zinc/56/00/23/582560023.db2.gz DBGXRVRFCXUMTL-HERUPUMHSA-N 1 0 232.327 1.887 10 0 BDAERO NC[C@@H]1C[C@@H](c2cccc(N)c2)CC[NH2+]1 ZINC000757213363 582560892 /nfs/dbraw/zinc/56/08/92/582560892.db2.gz JRUBCPXZXHHPHJ-JQWIXIFHSA-N 1 0 205.305 1.063 10 0 BDAERO [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1ccc(C(=O)[O-])cc1 ZINC000757218033 582562851 /nfs/dbraw/zinc/56/28/51/582562851.db2.gz UUGYXXLWFIEPJQ-RYUDHWBXSA-N 1 0 234.299 1.384 10 0 BDAERO NC[C@H]1CC[C@H](c2cccc(N)c2)C[NH2+]1 ZINC000757218549 582562955 /nfs/dbraw/zinc/56/29/55/582562955.db2.gz WABHZXWLJGDTIV-CMPLNLGQSA-N 1 0 205.305 1.063 10 0 BDAERO CC(=O)c1ccc([C@H]2C[NH2+]C[C@H](N)C2)cc1 ZINC000757218657 582563475 /nfs/dbraw/zinc/56/34/75/582563475.db2.gz WQBXLJYRTOKOBA-CHWSQXEVSA-N 1 0 218.300 1.293 10 0 BDAERO C[C@H]1CC2(C[C@H](C)O1)[NH2+]CCc1nc[nH]c12 ZINC000400499021 582579422 /nfs/dbraw/zinc/57/94/22/582579422.db2.gz MRSNAMVWHBLZSK-IUCAKERBSA-N 1 0 221.304 1.338 10 0 BDAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2c2ccccn2)N1 ZINC000235435443 582579983 /nfs/dbraw/zinc/57/99/83/582579983.db2.gz NYZHLUNYORBKBL-KOLCDFICSA-N 1 0 216.288 1.176 10 0 BDAERO Cc1ccc(C)c([C@H]2CC[NH+]=C(N)N2)c1 ZINC000235848832 582615278 /nfs/dbraw/zinc/61/52/78/582615278.db2.gz WKRCOGJHXUMCFE-LLVKDONJSA-N 1 0 203.289 1.653 10 0 BDAERO Cc1cnn2c1NCC[C@@H]2[C@H]1CCC[NH2+]C1 ZINC000235970876 582633242 /nfs/dbraw/zinc/63/32/42/582633242.db2.gz SNPBPTABPUIHHN-WDEREUQCSA-N 1 0 220.320 1.548 10 0 BDAERO Cc1cnn2c1nccc2[C@@H]1CCC[NH2+]C1 ZINC000235971643 582633307 /nfs/dbraw/zinc/63/33/07/582633307.db2.gz QRCJUMPQBDFBMP-SNVBAGLBSA-N 1 0 216.288 1.505 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@H]2c1ccnn1C ZINC000236046491 582637442 /nfs/dbraw/zinc/63/74/42/582637442.db2.gz LZCZNASKRKKCAS-JTQLQIEISA-N 1 0 217.276 1.330 10 0 BDAERO Fc1ccccc1[C@@H]1CCNC2=[NH+]CCN21 ZINC000236167907 582640189 /nfs/dbraw/zinc/64/01/89/582640189.db2.gz QMONMTOMMPGZAU-NSHDSACASA-N 1 0 219.263 1.532 10 0 BDAERO Nc1[nH+]ccn1Cc1ccc(Br)o1 ZINC000037483198 582674976 /nfs/dbraw/zinc/67/49/76/582674976.db2.gz MVNPWMAHTQDYMB-UHFFFAOYSA-N 1 0 242.076 1.869 10 0 BDAERO CN1CCC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000257786422 582683327 /nfs/dbraw/zinc/68/33/27/582683327.db2.gz XTYBQXVFELQUNX-GFCCVEGCSA-N 1 0 222.357 1.815 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000111689947 582861128 /nfs/dbraw/zinc/86/11/28/582861128.db2.gz PJVWYPHIGBLHTR-ZDUSSCGKSA-N 1 0 232.327 1.925 10 0 BDAERO Nc1[nH+]ccn1CCOCC1CCCC1 ZINC000702654082 582926349 /nfs/dbraw/zinc/92/63/49/582926349.db2.gz KMTCLHWNFYYAOM-UHFFFAOYSA-N 1 0 209.293 1.672 10 0 BDAERO CC(C)n1nccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000394627038 583004576 /nfs/dbraw/zinc/00/45/76/583004576.db2.gz WZNHJKZXUUHFTG-AAEUAGOBSA-N 1 0 237.347 1.857 10 0 BDAERO CCCS(=O)(=O)[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000081941712 583162232 /nfs/dbraw/zinc/16/22/32/583162232.db2.gz GQFKJZDPPNLILE-ZJUUUORDSA-N 1 0 233.377 1.717 10 0 BDAERO OCCN1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000398958921 583168781 /nfs/dbraw/zinc/16/87/81/583168781.db2.gz KRRYYGUVYOYIFT-CYBMUJFWSA-N 1 0 238.375 1.389 10 0 BDAERO C[C@@H]1CCC[C@]2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000757225310 585330337 /nfs/dbraw/zinc/33/03/37/585330337.db2.gz SRCBYUQYZRSUNW-CKYFFXLPSA-N 1 0 211.305 1.847 10 0 BDAERO C[NH2+]Cc1csc([C@H](O)C(C)C)n1 ZINC000757129702 586426558 /nfs/dbraw/zinc/42/65/58/586426558.db2.gz NXPOZLVEATXOFH-MRVPVSSYSA-N 1 0 200.307 1.552 10 0 BDAERO CCCSC[C@@](C)([NH3+])CC(=O)OC ZINC000757159372 586430468 /nfs/dbraw/zinc/43/04/68/586430468.db2.gz TVYGFWALRGNDRA-VIFPVBQESA-N 1 0 205.323 1.410 10 0 BDAERO Cc1cc(CC2(O)C[NH2+]C2)ccc1Cl ZINC000757161647 586432309 /nfs/dbraw/zinc/43/23/09/586432309.db2.gz XKBHYRQOJOAYLD-UHFFFAOYSA-N 1 0 211.692 1.525 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccnc(Cl)c1 ZINC000757185905 586433864 /nfs/dbraw/zinc/43/38/64/586433864.db2.gz BJRCPQSLFQBTSD-RKDXNWHRSA-N 1 0 240.690 1.211 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cc(F)c1 ZINC000757184339 586433888 /nfs/dbraw/zinc/43/38/88/586433888.db2.gz LFJLFWOLLZJKGM-NEPJUHHUSA-N 1 0 237.274 1.610 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCCSC2 ZINC000757183433 586433938 /nfs/dbraw/zinc/43/39/38/586433938.db2.gz CCVCHBSAXFVROR-GXSJLCMTSA-N 1 0 229.345 1.282 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc[nH]c1 ZINC000757185861 586434239 /nfs/dbraw/zinc/43/42/39/586434239.db2.gz BAYOSEQWIZVVMX-WDEREUQCSA-N 1 0 236.315 1.659 10 0 BDAERO [NH3+]Cc1cccc([C@H]2[NH2+]CCC[C@H]2C(=O)[O-])c1 ZINC000757210899 586438475 /nfs/dbraw/zinc/43/84/75/586438475.db2.gz HNMHVSDKMJMWCB-VXGBXAGGSA-N 1 0 234.299 1.271 10 0 BDAERO C[NH2+]CCOCCSc1cncc(C)c1 ZINC000757213090 586439397 /nfs/dbraw/zinc/43/93/97/586439397.db2.gz NXVYPXGPRUOTFK-UHFFFAOYSA-N 1 0 226.345 1.718 10 0 BDAERO CC(=O)c1ccc([C@H]2CC[C@H]([NH3+])CN2)cc1 ZINC000757215043 586440161 /nfs/dbraw/zinc/44/01/61/586440161.db2.gz MGLLWJBADLJQJV-QWHCGFSZSA-N 1 0 218.300 1.641 10 0 BDAERO [NH3+][C@H]1CCN[C@@H](c2ccc(C=O)s2)C1 ZINC000757215298 586440168 /nfs/dbraw/zinc/44/01/68/586440168.db2.gz NLCKDAXOUJFWFQ-IONNQARKSA-N 1 0 210.302 1.312 10 0 BDAERO [NH3+]CC[C@@H]1CC[C@@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757216061 586440691 /nfs/dbraw/zinc/44/06/91/586440691.db2.gz OYEZZXAYJIWLQB-GWCFXTLKSA-N 1 0 248.326 1.774 10 0 BDAERO [NH3+][C@@H]1CC[C@H](c2cccc(C=O)c2)NC1 ZINC000757216096 586440840 /nfs/dbraw/zinc/44/08/40/586440840.db2.gz PEEHWQJLZIYPNI-VXGBXAGGSA-N 1 0 204.273 1.251 10 0 BDAERO [NH3+][C@H]1CCN[C@H](c2ccc(C=O)s2)C1 ZINC000757215289 586440853 /nfs/dbraw/zinc/44/08/53/586440853.db2.gz NLCKDAXOUJFWFQ-CBAPKCEASA-N 1 0 210.302 1.312 10 0 BDAERO Cc1sc([C@@H]2NCCC[C@H]2[NH3+])cc1C(=O)[O-] ZINC000757227433 586442786 /nfs/dbraw/zinc/44/27/86/586442786.db2.gz BVWUSTIEMRRVIF-PSASIEDQSA-N 1 0 240.328 1.507 10 0 BDAERO CC(C)(C)n1cc([C@@H]2CC[C@H]([NH3+])CN2)cn1 ZINC000757231112 586443339 /nfs/dbraw/zinc/44/33/39/586443339.db2.gz GKBLHDPJTVFYOQ-QWRGUYRKSA-N 1 0 222.336 1.390 10 0 BDAERO CC(C)(C)n1cc([C@@H]2NCCC[C@H]2[NH3+])cn1 ZINC000757235849 586443811 /nfs/dbraw/zinc/44/38/11/586443811.db2.gz MXQAGOWHVHDLIH-MNOVXSKESA-N 1 0 222.336 1.390 10 0 BDAERO CC(C)(C)n1cc([C@@H]2CC[NH2+][C@H](CN)C2)cn1 ZINC000757238517 586444056 /nfs/dbraw/zinc/44/40/56/586444056.db2.gz SIMAZKVIYZJHCR-PWSUYJOCSA-N 1 0 236.363 1.432 10 0 BDAERO CC(C)(C)n1cc([C@@H]2CC[NH2+][C@@H](CN)C2)cn1 ZINC000757238520 586444145 /nfs/dbraw/zinc/44/41/45/586444145.db2.gz SIMAZKVIYZJHCR-ZYHUDNBSSA-N 1 0 236.363 1.432 10 0 BDAERO C[NH2+]CCc1noc(C2CC(F)(F)C2)n1 ZINC000205214371 589410141 /nfs/dbraw/zinc/41/01/41/589410141.db2.gz WUVLCLNFYVRGCW-UHFFFAOYSA-N 1 0 217.219 1.344 10 0 BDAERO Cn1ccnc1-c1noc([C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000122083837 589553592 /nfs/dbraw/zinc/55/35/92/589553592.db2.gz FFGVCXPGQNTWLJ-SFYZADRCSA-N 1 0 233.275 1.065 10 0 BDAERO COCC[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000122844066 589638733 /nfs/dbraw/zinc/63/87/33/589638733.db2.gz SWOPCWUGQCXRDQ-VWYCJHECSA-N 1 0 229.320 1.152 10 0 BDAERO C[C@H](CCO)[NH2+][C@@H]1CCOc2ccccc21 ZINC000122854962 589639701 /nfs/dbraw/zinc/63/97/01/589639701.db2.gz NSRKEYLWDCTIQV-ZYHUDNBSSA-N 1 0 221.300 1.871 10 0 BDAERO C[C@H]1CN(C(=O)N2CCCCC2)C[C@@H]1[NH+](C)C ZINC000123131201 589665529 /nfs/dbraw/zinc/66/55/29/589665529.db2.gz YCBIOWFFZHIIEQ-RYUDHWBXSA-N 1 0 239.363 1.474 10 0 BDAERO C[C@H]1CN(c2cc[nH+]c(CO)c2)CCS1 ZINC000123651454 589761979 /nfs/dbraw/zinc/76/19/79/589761979.db2.gz YJCOTMYAHQSPBN-VIFPVBQESA-N 1 0 224.329 1.516 10 0 BDAERO OCC[C@H]1CC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000124579030 590059019 /nfs/dbraw/zinc/05/90/19/590059019.db2.gz GZBVDTUQIJVZBK-HIFRSBDPSA-N 1 0 249.354 1.814 10 0 BDAERO CC[NH2+]CCNc1cncc(Cl)n1 ZINC000126473739 590316863 /nfs/dbraw/zinc/31/68/63/590316863.db2.gz XLJCAQRVAQORNH-UHFFFAOYSA-N 1 0 200.673 1.151 10 0 BDAERO C[C@H]([NH3+])CCNc1cncc(Cl)n1 ZINC000126476157 590317300 /nfs/dbraw/zinc/31/73/00/590317300.db2.gz ICCCKYGUFSXPCI-LURJTMIESA-N 1 0 200.673 1.279 10 0 BDAERO CCCN(c1cncc(Cl)n1)[C@@H]1CC[NH2+]C1 ZINC000126480829 590319655 /nfs/dbraw/zinc/31/96/55/590319655.db2.gz RIUHOXPNKRTQIW-SECBINFHSA-N 1 0 240.738 1.708 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1cncc(Cl)n1 ZINC000126494965 590321202 /nfs/dbraw/zinc/32/12/02/590321202.db2.gz BTOKQDYDHQVOFM-JGVFFNPUSA-N 1 0 226.711 1.317 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000127207735 590593649 /nfs/dbraw/zinc/59/36/49/590593649.db2.gz RXXAFDJJSBLODH-SECBINFHSA-N 1 0 212.293 1.358 10 0 BDAERO CCNC(=S)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000128940182 591191099 /nfs/dbraw/zinc/19/10/99/591191099.db2.gz XOZQKLMMPALHMV-JTQLQIEISA-N 1 0 229.393 1.297 10 0 BDAERO CC(C)[NH+]1CCC(NC(=O)n2ccnc2)CC1 ZINC000129800695 591406286 /nfs/dbraw/zinc/40/62/86/591406286.db2.gz SFLJQOJDULMSNM-UHFFFAOYSA-N 1 0 236.319 1.314 10 0 BDAERO CO[C@H](c1noc([C@@H]2CC[NH2+]C2)n1)C1CC1 ZINC000131256982 591578743 /nfs/dbraw/zinc/57/87/43/591578743.db2.gz DAABKLNWCCHWDR-BDAKNGLRSA-N 1 0 223.276 1.244 10 0 BDAERO Cc1csc(C[NH2+][C@H]2CCC[C@H](O)C2)n1 ZINC000132919442 591747596 /nfs/dbraw/zinc/74/75/96/591747596.db2.gz XKICMDPMKCDXDD-UWVGGRQHSA-N 1 0 226.345 1.845 10 0 BDAERO CCN1CCO[C@@H](CNc2cccc(F)n2)C1 ZINC000134479772 591929617 /nfs/dbraw/zinc/92/96/17/591929617.db2.gz KXLMWOBAZGKKIZ-JTQLQIEISA-N 1 0 239.294 1.353 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cn1 ZINC000217452585 592108494 /nfs/dbraw/zinc/10/84/94/592108494.db2.gz TZSTXNVBVAPFHR-BDAKNGLRSA-N 1 0 240.690 1.211 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cn1 ZINC000217452506 592108998 /nfs/dbraw/zinc/10/89/98/592108998.db2.gz TZSTXNVBVAPFHR-IUCAKERBSA-N 1 0 240.690 1.211 10 0 BDAERO CS[C@@H]1CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000300364896 592508583 /nfs/dbraw/zinc/50/85/83/592508583.db2.gz HZCOIGDHRLTYNL-MXWKQRLJSA-N 1 0 244.404 1.760 10 0 BDAERO O[C@@H](C[NH2+]C[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000313585492 634492069 /nfs/dbraw/zinc/49/20/69/634492069.db2.gz OPLZUCGTPMFGIL-MCIONIFRSA-N 1 0 235.327 1.471 10 0 BDAERO [NH3+]C1CC(C(=O)NCCC2CCCCC2)C1 ZINC000258791034 635201350 /nfs/dbraw/zinc/20/13/50/635201350.db2.gz UTFAEXCHORYMAN-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO CNC(=O)[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C(C)C ZINC000336761086 635284348 /nfs/dbraw/zinc/28/43/48/635284348.db2.gz KEAGOBYOFXISHL-GRYCIOLGSA-N 1 0 224.348 1.535 10 0 BDAERO COC[C@H](NC(=O)[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000094648634 635378803 /nfs/dbraw/zinc/37/88/03/635378803.db2.gz YZLBQWCFCZTBOE-TUAOUCFPSA-N 1 0 242.363 1.162 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CC2(O)CCCC2)C[C@H]1C ZINC000095019656 635406148 /nfs/dbraw/zinc/40/61/48/635406148.db2.gz OCBAYUJGMDCSGU-MNOVXSKESA-N 1 0 241.331 1.032 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ncncc1Br ZINC000085480680 631462047 /nfs/dbraw/zinc/46/20/47/631462047.db2.gz ZGBJYVRLLJFZGI-LURJTMIESA-N 1 0 245.124 1.023 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(C)ccc1F ZINC000234542102 631571880 /nfs/dbraw/zinc/57/18/80/631571880.db2.gz DEMVDJDTLLAFPZ-WDEREUQCSA-N 1 0 237.274 1.610 10 0 BDAERO CCc1ccccc1[C@@H]1C[NH2+]C[C@@H]1C(=O)OC ZINC000067173385 635682752 /nfs/dbraw/zinc/68/27/52/635682752.db2.gz MBRQSGOXKYAVMC-STQMWFEESA-N 1 0 233.311 1.725 10 0 BDAERO COC1CC([NH2+][C@@H](C)c2cc(C)on2)C1 ZINC000308902421 631723870 /nfs/dbraw/zinc/72/38/70/631723870.db2.gz BPTKZLCQKPMHNW-IDKOKCKLSA-N 1 0 210.277 1.811 10 0 BDAERO CCc1nc(CC[NH2+][C@@H]2CC[C@H]2C)no1 ZINC000309028370 631810060 /nfs/dbraw/zinc/81/00/60/631810060.db2.gz CDUWNMXPYHFZPB-RKDXNWHRSA-N 1 0 209.293 1.563 10 0 BDAERO c1ccc([C@H]2C[C@@H]2N2CC[NH2+]CC2)cc1 ZINC000044660162 631818595 /nfs/dbraw/zinc/81/85/95/631818595.db2.gz HJVZGFJUQXLAMI-OLZOCXBDSA-N 1 0 202.301 1.448 10 0 BDAERO CC[NH2+]CC(=O)N[C@@H](CC)c1ccccc1 ZINC000051628351 631820811 /nfs/dbraw/zinc/82/08/11/631820811.db2.gz MEFSTNSGXCIHNC-LBPRGKRZSA-N 1 0 220.316 1.863 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCN(C=O)CC1 ZINC000309173662 631922815 /nfs/dbraw/zinc/92/28/15/631922815.db2.gz LZKQZSRVCULOAL-ZYHUDNBSSA-N 1 0 210.321 1.385 10 0 BDAERO CCCn1cc(NC(=O)[C@H]2CCC[NH2+]C2)cn1 ZINC000161391683 631998075 /nfs/dbraw/zinc/99/80/75/631998075.db2.gz ULXLVCRNNAILIE-JTQLQIEISA-N 1 0 236.319 1.231 10 0 BDAERO [NH3+]C1CC(CNC(=O)CC[C@H]2CCCCO2)C1 ZINC000091524631 632049359 /nfs/dbraw/zinc/04/93/59/632049359.db2.gz FRFJRXMNQBFCTC-HTAVTVPLSA-N 1 0 240.347 1.189 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178787498 635702701 /nfs/dbraw/zinc/70/27/01/635702701.db2.gz XIZNWXMGJROVSY-TZMCWYRMSA-N 1 0 246.354 1.733 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NCCC2CCC2)C1 ZINC000158297076 635760732 /nfs/dbraw/zinc/76/07/32/635760732.db2.gz IPOPSQCGDJEPIY-QWRGUYRKSA-N 1 0 210.321 1.420 10 0 BDAERO C[C@H](C[NH3+])c1noc(Cc2cccc(F)c2)n1 ZINC000054158844 635775885 /nfs/dbraw/zinc/77/58/85/635775885.db2.gz SALZOBKRQQRETM-MRVPVSSYSA-N 1 0 235.262 1.862 10 0 BDAERO COc1ccccc1-c1nc([C@H](C)C[NH3+])no1 ZINC000054158732 635776131 /nfs/dbraw/zinc/77/61/31/635776131.db2.gz BBPBCZXWLSTBHY-MRVPVSSYSA-N 1 0 233.271 1.807 10 0 BDAERO C[C@H](CCO)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000308924799 632460530 /nfs/dbraw/zinc/46/05/30/632460530.db2.gz DAIOKDRWGGPAFT-WISYIIOYSA-N 1 0 215.337 1.551 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NOCC(F)(F)F ZINC000309603813 632580766 /nfs/dbraw/zinc/58/07/66/632580766.db2.gz YFGZWCMGWWZHQX-SSDOTTSWSA-N 1 0 240.225 1.129 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(C[C@H]2CCCO2)no1 ZINC000235271495 632599484 /nfs/dbraw/zinc/59/94/84/632599484.db2.gz IZEKTJLTZUOKMW-OPRDCNLKSA-N 1 0 237.303 1.114 10 0 BDAERO Cc1cncc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)c1 ZINC000308972051 632600545 /nfs/dbraw/zinc/60/05/45/632600545.db2.gz AELSGAWETUTQFT-OUAUKWLOSA-N 1 0 208.305 1.810 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@H](O)c1cccnc1 ZINC000309681136 632649454 /nfs/dbraw/zinc/64/94/54/632649454.db2.gz ZNKVSXJLFZWOGF-JQWIXIFHSA-N 1 0 224.304 1.130 10 0 BDAERO C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000309745089 632662209 /nfs/dbraw/zinc/66/22/09/632662209.db2.gz FJFQOIORCRFOCF-IJLUTSLNSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@@H]1[NH3+] ZINC000235344245 632674564 /nfs/dbraw/zinc/67/45/64/632674564.db2.gz VRVYPIZSSRTQSN-IPFDCLDFSA-N 1 0 220.272 1.098 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000309971144 632688646 /nfs/dbraw/zinc/68/86/46/632688646.db2.gz PNEOHOSDIZDYOS-WDSKDSINSA-N 1 0 237.225 1.287 10 0 BDAERO CC[C@H]([NH2+]C1CC(OC)C1)c1cnn(C)c1 ZINC000309994830 632691610 /nfs/dbraw/zinc/69/16/10/632691610.db2.gz BVXCJEWPORBJAD-MCIGGMRASA-N 1 0 223.320 1.638 10 0 BDAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000310255079 632711789 /nfs/dbraw/zinc/71/17/89/632711789.db2.gz GKPSRBRWUZTEFG-NOOOWODRSA-N 1 0 240.347 1.201 10 0 BDAERO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000310568078 632759829 /nfs/dbraw/zinc/75/98/29/632759829.db2.gz MXKUSYWLZYXOJX-XJFOESAGSA-N 1 0 240.391 1.562 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)[C@H]1CCCO1 ZINC000309206413 632811819 /nfs/dbraw/zinc/81/18/19/632811819.db2.gz BDYUVAMUSHMMIE-HBNTYKKESA-N 1 0 229.320 1.295 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000052269747 632822936 /nfs/dbraw/zinc/82/29/36/632822936.db2.gz JDRHRGPZRFDYFK-KCJUWKMLSA-N 1 0 204.273 1.284 10 0 BDAERO Cc1nnc(NCCCCCC[NH3+])s1 ZINC000235809383 632833112 /nfs/dbraw/zinc/83/31/12/632833112.db2.gz WBSGYHHTDYYZPG-UHFFFAOYSA-N 1 0 214.338 1.778 10 0 BDAERO CN(C(=O)/C=C\c1ccco1)[C@H]1CCC[NH2+]CC1 ZINC000310821579 633001820 /nfs/dbraw/zinc/00/18/20/633001820.db2.gz GQYNFRHBICOHQU-DGMVEKRQSA-N 1 0 248.326 1.893 10 0 BDAERO CC[N@H+]1C[C@H](NCc2cc(C)on2)[C@@H](C)C1 ZINC000309429149 633059422 /nfs/dbraw/zinc/05/94/22/633059422.db2.gz FVUNFMYPROYKSH-CABZTGNLSA-N 1 0 223.320 1.413 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2c[nH]cn2)C1 ZINC000165868884 633101194 /nfs/dbraw/zinc/10/11/94/633101194.db2.gz WMTPGFCANMVCTF-PWSUYJOCSA-N 1 0 222.336 1.228 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)cc1C ZINC000166482604 633113342 /nfs/dbraw/zinc/11/33/42/633113342.db2.gz FHNQRWNUXMFUAN-STQMWFEESA-N 1 0 233.311 1.779 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1C ZINC000166482718 633113942 /nfs/dbraw/zinc/11/39/42/633113942.db2.gz FHNQRWNUXMFUAN-OLZOCXBDSA-N 1 0 233.311 1.779 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)c(F)c1 ZINC000166514166 633114884 /nfs/dbraw/zinc/11/48/84/633114884.db2.gz QNGUVFGFBGGTJN-WDEREUQCSA-N 1 0 237.274 1.610 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000166589700 633117543 /nfs/dbraw/zinc/11/75/43/633117543.db2.gz ALCQUDZOOLISGM-NWDGAFQWSA-N 1 0 237.274 1.692 10 0 BDAERO CC[C@H](C)c1noc([C@@]2(F)CC[NH2+]C2)n1 ZINC000309483372 633162107 /nfs/dbraw/zinc/16/21/07/633162107.db2.gz FJKARYVCUGDZJP-OIBJUYFYSA-N 1 0 213.256 1.741 10 0 BDAERO C[C@H]1COC[C@H](C)[NH+]1C[Si](C)(C)C ZINC000172668919 633231217 /nfs/dbraw/zinc/23/12/17/633231217.db2.gz CXHXQQOORGQVES-UWVGGRQHSA-N 1 0 201.386 1.973 10 0 BDAERO Cc1cccc([C@@H](O)CN2CC[C@@H]([NH+](C)C)C2)c1 ZINC000310430447 636037578 /nfs/dbraw/zinc/03/75/78/636037578.db2.gz YWFKCDZVCXKXER-CABCVRRESA-N 1 0 248.370 1.664 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccncc2C#N)C1 ZINC000399061721 636068303 /nfs/dbraw/zinc/06/83/03/636068303.db2.gz ZAVDSFRDTNWWFS-MNOVXSKESA-N 1 0 230.315 1.517 10 0 BDAERO CSCc1cnc(C[NH2+][C@H](C)[C@H](C)O)s1 ZINC000339398203 636070454 /nfs/dbraw/zinc/07/04/54/636070454.db2.gz CMMAVXMPQSZPTI-SFYZADRCSA-N 1 0 246.401 1.865 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](O)c1cccnc1 ZINC000309809337 633762580 /nfs/dbraw/zinc/76/25/80/633762580.db2.gz TUGIJCQCTXXZPE-USWWRNFRSA-N 1 0 238.356 1.456 10 0 BDAERO c1cc(C[NH2+][C@@H]2CCCc3[nH]ccc32)n[nH]1 ZINC000309398202 633907936 /nfs/dbraw/zinc/90/79/36/633907936.db2.gz VTVQAGWNVLCOMI-GFCCVEGCSA-N 1 0 216.288 1.905 10 0 BDAERO Cc1cnc([C@H](C)[NH2+]CCC2OCCO2)o1 ZINC000309503998 633937030 /nfs/dbraw/zinc/93/70/30/633937030.db2.gz VLRGEABFQZYUPS-VIFPVBQESA-N 1 0 226.276 1.397 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)/C=C\C1CC1 ZINC000309583536 633959977 /nfs/dbraw/zinc/95/99/77/633959977.db2.gz UJFQDVUOKUEBGN-TWHAFNCTSA-N 1 0 208.305 1.196 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000309977861 634012540 /nfs/dbraw/zinc/01/25/40/634012540.db2.gz UOUDXERZRSOONW-JBDRJPRFSA-N 1 0 241.253 1.455 10 0 BDAERO COC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178364566 634021089 /nfs/dbraw/zinc/02/10/89/634021089.db2.gz OXHNOHLOKOZMDA-BIMULSAOSA-N 1 0 221.300 1.269 10 0 BDAERO CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]2CO)C[C@H]1OC ZINC000310003223 634063239 /nfs/dbraw/zinc/06/32/39/634063239.db2.gz FNVGJCSIVUNRHD-IRCOFANPSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H](c1noc([C@@H]2CC[NH2+]C2)n1)C1CC1 ZINC000310041725 634066307 /nfs/dbraw/zinc/06/63/07/634066307.db2.gz YXPZGEMLDPHLGH-IONNQARKSA-N 1 0 207.277 1.660 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)nc1 ZINC000189124770 634166926 /nfs/dbraw/zinc/16/69/26/634166926.db2.gz GXUGEBVDJYXLQY-VXGBXAGGSA-N 1 0 238.306 1.861 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1nccc(OC)n1 ZINC000053706588 634327850 /nfs/dbraw/zinc/32/78/50/634327850.db2.gz VUKCTKMWRJAWJT-SNVBAGLBSA-N 1 0 236.319 1.064 10 0 BDAERO COc1cccc(CCNC(=O)C2CC([NH3+])C2)c1 ZINC000258772129 635197827 /nfs/dbraw/zinc/19/78/27/635197827.db2.gz RZWBGSKYLRKKSV-UHFFFAOYSA-N 1 0 248.326 1.091 10 0 BDAERO [NH3+]C1CC(C(=O)Nc2ccc(F)cc2)C1 ZINC000258838183 635211795 /nfs/dbraw/zinc/21/17/95/635211795.db2.gz WOAIZVLRVHDMTK-UHFFFAOYSA-N 1 0 208.236 1.502 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237346921 636716352 /nfs/dbraw/zinc/71/63/52/636716352.db2.gz NHICECBHLQZPSB-AAEUAGOBSA-N 1 0 232.327 1.425 10 0 BDAERO Cc1nc([C@@](C)([NH3+])c2ccccc2)n(C)n1 ZINC000054499154 636742693 /nfs/dbraw/zinc/74/26/93/636742693.db2.gz LBQZBUXOKXNDRQ-LBPRGKRZSA-N 1 0 216.288 1.346 10 0 BDAERO CCON1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000323455615 636963791 /nfs/dbraw/zinc/96/37/91/636963791.db2.gz GLAPAAKRLGFRAK-ZDUSSCGKSA-N 1 0 242.363 1.561 10 0 BDAERO CCON1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000323474282 636968454 /nfs/dbraw/zinc/96/84/54/636968454.db2.gz KKOQKAOUNZPKHN-QWHCGFSZSA-N 1 0 242.363 1.295 10 0 BDAERO CCON1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000323474281 636968811 /nfs/dbraw/zinc/96/88/11/636968811.db2.gz KKOQKAOUNZPKHN-OLZOCXBDSA-N 1 0 242.363 1.295 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000041259284 636979939 /nfs/dbraw/zinc/97/99/39/636979939.db2.gz QEFGMIRLDJJORR-GFCCVEGCSA-N 1 0 232.327 1.297 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)C(C)(C)C ZINC000162005648 637137541 /nfs/dbraw/zinc/13/75/41/637137541.db2.gz XPEFGTPJXXKVPG-ZJUUUORDSA-N 1 0 214.353 1.912 10 0 BDAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@H](C)O)CC2 ZINC000348314927 639043059 /nfs/dbraw/zinc/04/30/59/639043059.db2.gz HVXATSAWRXNNDO-COPLHBTASA-N 1 0 249.354 1.911 10 0 BDAERO C[C@@H](NC(=O)CCCCCC[NH3+])C1CC1 ZINC000035733697 639877077 /nfs/dbraw/zinc/87/70/77/639877077.db2.gz FYWDVRJJTOKLMD-SNVBAGLBSA-N 1 0 212.337 1.810 10 0 BDAERO CCCc1nc(C[C@H]2CCC[NH2+]2)n(C)n1 ZINC000054697561 640304416 /nfs/dbraw/zinc/30/44/16/640304416.db2.gz VGYURSOOJMCMPQ-SECBINFHSA-N 1 0 208.309 1.062 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000164269650 640459807 /nfs/dbraw/zinc/45/98/07/640459807.db2.gz PZUBRBNADSSOAW-RYUDHWBXSA-N 1 0 209.289 1.920 10 0 BDAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)CO ZINC000156757142 640497612 /nfs/dbraw/zinc/49/76/12/640497612.db2.gz BCCARXLMMMPDLN-OCCSQVGLSA-N 1 0 249.354 1.643 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000349291847 640499906 /nfs/dbraw/zinc/49/99/06/640499906.db2.gz CAXUPYLDKYQILD-WDEREUQCSA-N 1 0 245.326 1.936 10 0 BDAERO Cn1nc(C(C)(C)C)nc1C1CC[NH2+]CC1 ZINC000054698684 640711220 /nfs/dbraw/zinc/71/12/20/640711220.db2.gz NOFZONPDCOEBDQ-UHFFFAOYSA-N 1 0 222.336 1.580 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(Cl)nn2)C1 ZINC000167405075 640717158 /nfs/dbraw/zinc/71/71/58/640717158.db2.gz APVVXZAFBDOXNJ-SNVBAGLBSA-N 1 0 240.738 1.266 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)CCSC ZINC000157692924 640728764 /nfs/dbraw/zinc/72/87/64/640728764.db2.gz SSIKESKLGYLKOY-RKDXNWHRSA-N 1 0 218.366 1.372 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)nc1 ZINC000227421181 640833030 /nfs/dbraw/zinc/83/30/30/640833030.db2.gz KTFFFDAGNKOMBY-WPRPVWTQSA-N 1 0 237.278 1.534 10 0 BDAERO [NH3+][C@@H]1CC[C@H](CNc2ccc(F)cn2)C1 ZINC000227644959 640843206 /nfs/dbraw/zinc/84/32/06/640843206.db2.gz AGACKOIXMOMKKT-WCBMZHEXSA-N 1 0 209.268 1.760 10 0 BDAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@H](C)CCO)C1 ZINC000228282769 640869114 /nfs/dbraw/zinc/86/91/14/640869114.db2.gz PVYFHORJYUIGRK-QJPTWQEYSA-N 1 0 214.353 1.076 10 0 BDAERO CSCC[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000228946040 640906802 /nfs/dbraw/zinc/90/68/02/640906802.db2.gz MELNIROLNCDERW-VHSXEESVSA-N 1 0 232.393 1.618 10 0 BDAERO CC1(c2noc([C@H]3CC[C@H]([NH3+])C3)n2)CC1 ZINC000087548236 640922294 /nfs/dbraw/zinc/92/22/94/640922294.db2.gz VTTHWNHWSJLQRT-YUMQZZPRSA-N 1 0 207.277 1.716 10 0 BDAERO CC[C@@H](CCO)[NH2+]CCc1ccccc1 ZINC000229109326 640925639 /nfs/dbraw/zinc/92/56/39/640925639.db2.gz BIFVBEWDFWZJFU-ZDUSSCGKSA-N 1 0 207.317 1.980 10 0 BDAERO C[C@H](CC[S@](C)=O)[NH2+]CCc1ccccc1 ZINC000229153797 640928260 /nfs/dbraw/zinc/92/82/60/640928260.db2.gz HHJSQZMXDOQBNM-WBMJQRKESA-N 1 0 239.384 1.976 10 0 BDAERO Cc1nc([C@H](C[NH3+])c2ccccc2)n(C)n1 ZINC000061609631 640977242 /nfs/dbraw/zinc/97/72/42/640977242.db2.gz JEIVVOVFAGYTQS-LLVKDONJSA-N 1 0 216.288 1.214 10 0 BDAERO Cc1nnc([C@H](C[NH3+])c2ccccc2)n1C ZINC000061609591 640977279 /nfs/dbraw/zinc/97/72/79/640977279.db2.gz IOTSJOIKGDYWLA-LLVKDONJSA-N 1 0 216.288 1.214 10 0 BDAERO CN[C@H](C)c1nc([C@H]2CCCS2)no1 ZINC000087699819 640978009 /nfs/dbraw/zinc/97/80/09/640978009.db2.gz XHDFFIYILRPGAO-RNFRBKRXSA-N 1 0 213.306 1.918 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+]C2)s1 ZINC000062116473 641023719 /nfs/dbraw/zinc/02/37/19/641023719.db2.gz DACKFONRNBUCKB-UWVGGRQHSA-N 1 0 238.356 1.843 10 0 BDAERO CCN(C(=O)[C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000062116718 641024309 /nfs/dbraw/zinc/02/43/09/641024309.db2.gz ZELZUFNBJWEUCH-GFCCVEGCSA-N 1 0 232.327 1.957 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc([C@H]2CCCOC2)no1 ZINC000087815842 641053690 /nfs/dbraw/zinc/05/36/90/641053690.db2.gz IJLUNWIWDOZWIB-UWVGGRQHSA-N 1 0 239.319 1.489 10 0 BDAERO c1ccc([C@H]2C[NH2+]CCN2C[C@@H]2CCCO2)cc1 ZINC000062621983 641065135 /nfs/dbraw/zinc/06/51/35/641065135.db2.gz DVXVPBKOSUVBRJ-LSDHHAIUSA-N 1 0 246.354 1.812 10 0 BDAERO COC1CC([NH2+][C@@H](C)c2cnccn2)C1 ZINC000230674905 641079599 /nfs/dbraw/zinc/07/95/99/641079599.db2.gz VUOIVYMZWDKIDR-IDKOKCKLSA-N 1 0 207.277 1.305 10 0 BDAERO COc1ccc(Cl)cc1COC1C[NH2+]C1 ZINC000062809915 641095372 /nfs/dbraw/zinc/09/53/72/641095372.db2.gz XLJIJZZVHSCJLL-UHFFFAOYSA-N 1 0 227.691 1.837 10 0 BDAERO C[C@]1(CN2CCn3ccnc3C2)CCC[NH2+]C1 ZINC000062868074 641102447 /nfs/dbraw/zinc/10/24/47/641102447.db2.gz BZROVGNMBXZCLI-ZDUSSCGKSA-N 1 0 234.347 1.088 10 0 BDAERO Cc1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)on1 ZINC000063084820 641127091 /nfs/dbraw/zinc/12/70/91/641127091.db2.gz RZMVCHRGQCMVJW-VIFPVBQESA-N 1 0 248.286 1.575 10 0 BDAERO [NH3+]CCCCCCNc1ncnc2nc[nH]c21 ZINC000059349335 641166140 /nfs/dbraw/zinc/16/61/40/641166140.db2.gz GZCNJTFELNTSAB-UHFFFAOYSA-N 1 0 234.307 1.284 10 0 BDAERO FC(F)(F)SCCN[C@@H]1CC[NH2+]C1 ZINC000231938917 641217530 /nfs/dbraw/zinc/21/75/30/641217530.db2.gz DRYISMLTDUMBPO-ZCFIWIBFSA-N 1 0 214.256 1.191 10 0 BDAERO COC[C@@H](CCO)[NH2+]CCc1ccccc1 ZINC000232010453 641227291 /nfs/dbraw/zinc/22/72/91/641227291.db2.gz DOYSIUSEKAADMP-CYBMUJFWSA-N 1 0 223.316 1.216 10 0 BDAERO COC[C@H](O)CC[NH2+]CCc1ccccc1 ZINC000232017987 641233289 /nfs/dbraw/zinc/23/32/89/641233289.db2.gz PBKNGCPSCWRSON-CYBMUJFWSA-N 1 0 223.316 1.216 10 0 BDAERO C[C@@H](O)C1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000232227176 641253667 /nfs/dbraw/zinc/25/36/67/641253667.db2.gz HMHAXRQODKYQSW-LLVKDONJSA-N 1 0 242.363 1.125 10 0 BDAERO CC[C@H]1C[C@@H]([NH2+]C2CC(COC)C2)CCO1 ZINC000713926381 711500371 /nfs/dbraw/zinc/50/03/71/711500371.db2.gz GDCHWEVSYIHGAQ-MVKMKZAISA-N 1 0 227.348 1.959 10 0 BDAERO COC(=O)[C@H](C[NH3+])[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000675073806 641323839 /nfs/dbraw/zinc/32/38/39/641323839.db2.gz UJARCAWHVGXYON-LNFKQOIKSA-N 1 0 213.321 1.807 10 0 BDAERO C[C@H]1CN(c2cc[nH+]c(CO)c2)C[C@H](C)O1 ZINC000040864010 641536670 /nfs/dbraw/zinc/53/66/70/641536670.db2.gz WUUHUUQMIJUKNR-UWVGGRQHSA-N 1 0 222.288 1.188 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000189122647 641789901 /nfs/dbraw/zinc/78/99/01/641789901.db2.gz SAWDYQITYKIKPM-NWDGAFQWSA-N 1 0 238.306 1.861 10 0 BDAERO COC(=O)/C(C)=C\C[NH2+]C[C@H](O)C(C)(C)C ZINC000324641774 641884266 /nfs/dbraw/zinc/88/42/66/641884266.db2.gz XPMCUBXOTOICQK-MBACFSSFSA-N 1 0 229.320 1.102 10 0 BDAERO C[C@@H]1C[N@H+](C[Si](C)(C)C)C[C@H]1CO ZINC000190838555 641891594 /nfs/dbraw/zinc/89/15/94/641891594.db2.gz LMJLPJRPXSQKLI-ZJUUUORDSA-N 1 0 201.386 1.424 10 0 BDAERO Cc1nnc(CCC2CC[NH2+]CC2)n1C ZINC000050929679 642374673 /nfs/dbraw/zinc/37/46/73/642374673.db2.gz OMFULDWBZZYUKI-UHFFFAOYSA-N 1 0 208.309 1.056 10 0 BDAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCF ZINC000306198055 642730574 /nfs/dbraw/zinc/73/05/74/642730574.db2.gz UJHYSTIKYKMAGY-QWRGUYRKSA-N 1 0 200.301 1.515 10 0 BDAERO C[C@@H]1CCCN(c2ncnc3c2CCC3)[C@@H]1C[NH3+] ZINC000070178647 642989525 /nfs/dbraw/zinc/98/95/25/642989525.db2.gz XJLJJZGIZUUMAL-ZWNOBZJWSA-N 1 0 246.358 1.529 10 0 BDAERO CC(C)Cc1noc(C[C@@H]([NH3+])C(C)C)n1 ZINC000071000113 643094110 /nfs/dbraw/zinc/09/41/10/643094110.db2.gz VVUMEQIQXGCZBS-SECBINFHSA-N 1 0 211.309 1.794 10 0 BDAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](O)CO ZINC000090281857 643127693 /nfs/dbraw/zinc/12/76/93/643127693.db2.gz BDYFPMOYORLLMD-MNOVXSKESA-N 1 0 239.315 1.089 10 0 BDAERO CC(=O)N[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000175748268 643162636 /nfs/dbraw/zinc/16/26/36/643162636.db2.gz URJPKYWYAXEAHX-ZDUSSCGKSA-N 1 0 242.363 1.140 10 0 BDAERO CCOC(=O)/C=C/C[N@@H+]1CCC[C@H]1CCCO ZINC000131130113 643267833 /nfs/dbraw/zinc/26/78/33/643267833.db2.gz POWXKBUQPKIKBM-GXWOQWCDSA-N 1 0 241.331 1.343 10 0 BDAERO CC(C)[C@H]1OC2(CC[NH2+]CC2)NCC1(C)C ZINC000757143524 643308436 /nfs/dbraw/zinc/30/84/36/643308436.db2.gz NFNATHODQQDWEF-LLVKDONJSA-N 1 0 226.364 1.737 10 0 BDAERO CC[C@@H]([NH3+])CS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000757149533 643335869 /nfs/dbraw/zinc/33/58/69/643335869.db2.gz DDSNDWJWGMLIQO-OUAUKWLOSA-N 1 0 248.392 1.031 10 0 BDAERO CC[C@@H](C)c1noc([C@H]2C[NH2+]CCO2)n1 ZINC000082570018 643345427 /nfs/dbraw/zinc/34/54/27/643345427.db2.gz ZSEAAOCMRANZFR-HTQZYQBOSA-N 1 0 211.265 1.244 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ncnc2ccccc21 ZINC000082592582 643351031 /nfs/dbraw/zinc/35/10/31/643351031.db2.gz NNBHYCZETFFDQK-VIFPVBQESA-N 1 0 216.288 1.413 10 0 BDAERO C[C@@H](SCc1ccc(Cl)o1)[C@H](O)C[NH3+] ZINC000757169645 643354181 /nfs/dbraw/zinc/35/41/81/643354181.db2.gz KIEITLYTSUPSQL-HTRCEHHLSA-N 1 0 235.736 1.874 10 0 BDAERO CC(C)(C)OC(=O)[C@]1(F)CCCC[C@H]1[NH3+] ZINC000757182950 643357096 /nfs/dbraw/zinc/35/70/96/643357096.db2.gz MFTPVZGXPQECDH-KCJUWKMLSA-N 1 0 217.284 1.938 10 0 BDAERO CC(=O)[C@@H]1CCC[N@@H+](CCOC(C)C)C1 ZINC000082644722 643361415 /nfs/dbraw/zinc/36/14/15/643361415.db2.gz CLVXLNWQNYOTFL-GFCCVEGCSA-N 1 0 213.321 1.712 10 0 BDAERO Cc1nn([C@@H](C)C(F)(F)F)cc1C(N)=[NH2+] ZINC000757196345 643366191 /nfs/dbraw/zinc/36/61/91/643366191.db2.gz QUKMJKRCMMQSBO-YFKPBYRVSA-N 1 0 220.198 1.599 10 0 BDAERO CC[C@@H]1Oc2cc(OC)cc(OC)c2[C@H]1[NH3+] ZINC000082760074 643376520 /nfs/dbraw/zinc/37/65/20/643376520.db2.gz QSKYEFBCKHRIKJ-UFBFGSQYSA-N 1 0 223.272 1.875 10 0 BDAERO CCC[C@@H]1C[NH2+]CCN1C[C@H]1CCCO1 ZINC000251314529 643377217 /nfs/dbraw/zinc/37/72/17/643377217.db2.gz JHCWQLJLBSVGNV-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO CCC(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000144010505 643381263 /nfs/dbraw/zinc/38/12/63/643381263.db2.gz ZTUCMISNLULZLW-JQWIXIFHSA-N 1 0 204.273 1.137 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1nccs1 ZINC000288610362 643390127 /nfs/dbraw/zinc/39/01/27/643390127.db2.gz PBAWFHRDOKBUGL-HTQZYQBOSA-N 1 0 225.317 1.470 10 0 BDAERO COc1cccc(OC)c1[C@@H]([NH3+])CCO ZINC000082953245 643390298 /nfs/dbraw/zinc/39/02/98/643390298.db2.gz QWVTYQZJNSJXDW-QMMMGPOBSA-N 1 0 211.261 1.086 10 0 BDAERO CN1CC[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000082944270 643390429 /nfs/dbraw/zinc/39/04/29/643390429.db2.gz JEOUHURQPHCCNE-RHYQMDGZSA-N 1 0 224.348 1.094 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2csc(Cl)n2)C1 ZINC000307068986 643402779 /nfs/dbraw/zinc/40/27/79/643402779.db2.gz YNVSWSHPOQEWBY-SECBINFHSA-N 1 0 245.779 1.932 10 0 BDAERO CCC1CCC(C[NH3+])(OCCO)CC1 ZINC000083401799 643445264 /nfs/dbraw/zinc/44/52/64/643445264.db2.gz RUYQEMAJXHRBRF-UHFFFAOYSA-N 1 0 201.310 1.293 10 0 BDAERO Cc1cccc(-c2cnn(CC[NH3+])c2)c1 ZINC000049812299 643453726 /nfs/dbraw/zinc/45/37/26/643453726.db2.gz XFDRAZPPUYJHEG-UHFFFAOYSA-N 1 0 201.273 1.817 10 0 BDAERO CCOc1ccc(-c2cnn(CC[NH3+])c2)cc1 ZINC000049822100 643464800 /nfs/dbraw/zinc/46/48/00/643464800.db2.gz NGCURXZWSNHELH-UHFFFAOYSA-N 1 0 231.299 1.908 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]Cc1nc(Br)c[nH]1 ZINC000307560045 643501933 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ZINC000304219480 644876274 /nfs/dbraw/zinc/87/62/74/644876274.db2.gz HDDLQBLMTZHNIO-JBLDHEPKSA-N 1 0 223.320 1.611 10 0 BDAERO CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000724192820 711568623 /nfs/dbraw/zinc/56/86/23/711568623.db2.gz MWYHFZNODNEVBZ-MROQNXINSA-N 1 0 227.348 1.647 10 0 BDAERO Cc1nc(C)c(CN2CC[C@@H]([NH+](C)C)C2)[nH]1 ZINC000724775673 711612676 /nfs/dbraw/zinc/61/26/76/711612676.db2.gz CGHCZSOQIMQFHZ-LLVKDONJSA-N 1 0 222.336 1.162 10 0 BDAERO C[C@@H]1CCC(=O)CN1C[C@@H]1CCCOC1 ZINC000725643667 711668612 /nfs/dbraw/zinc/66/86/12/711668612.db2.gz FVVQSPCULJNPIU-MNOVXSKESA-N 1 0 211.305 1.466 10 0 BDAERO C[S@](=O)C1(C[NH2+]CCc2ccccc2)CC1 ZINC000309907014 711698287 /nfs/dbraw/zinc/69/82/87/711698287.db2.gz KVNUCVMGRXVLMC-INIZCTEOSA-N 1 0 237.368 1.730 10 0 BDAERO COC[C@H](C[N@@H+]1C[C@H](O)CC[C@@H]1C)C(C)C ZINC000721973146 711854536 /nfs/dbraw/zinc/85/45/36/711854536.db2.gz RCTFCUGQSMOESM-RWMBFGLXSA-N 1 0 229.364 1.750 10 0 BDAERO CCCc1nccnc1NCCC(C)(C)[NH3+] 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ZINC000710751594 712256810 /nfs/dbraw/zinc/25/68/10/712256810.db2.gz UFEJLAPGGFJLHX-UHFFFAOYSA-N 1 0 228.365 1.802 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H]2CCC2(OC)OC)C1 ZINC000710954688 712267834 /nfs/dbraw/zinc/26/78/34/712267834.db2.gz BCLCMKMDEOSZOH-RYUDHWBXSA-N 1 0 242.363 1.212 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711382971 712296257 /nfs/dbraw/zinc/29/62/57/712296257.db2.gz SCQKFVMPXFHLCR-OUAUKWLOSA-N 1 0 224.348 1.537 10 0 BDAERO O=C(CC(F)(F)F)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711599762 712311549 /nfs/dbraw/zinc/31/15/49/712311549.db2.gz JOUHGHDWOXEZES-APPZFPTMSA-N 1 0 236.237 1.340 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1C=CCC1 ZINC000711657487 712314861 /nfs/dbraw/zinc/31/48/61/712314861.db2.gz VYGNSCCFMFLEDA-STQMWFEESA-N 1 0 227.348 1.720 10 0 BDAERO COc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]1CO ZINC000378796627 712361992 /nfs/dbraw/zinc/36/19/92/712361992.db2.gz QUYOMSURFHEECZ-GXSJLCMTSA-N 1 0 241.718 1.819 10 0 BDAERO CCC(CC)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378806070 712362676 /nfs/dbraw/zinc/36/26/76/712362676.db2.gz XBIXGHQLWWINGE-QWRGUYRKSA-N 1 0 202.317 1.794 10 0 BDAERO C[C@@H]1C[N@H+](CCCOC(F)(F)F)C[C@@H]1C[NH3+] ZINC000713414777 712459250 /nfs/dbraw/zinc/45/92/50/712459250.db2.gz HPSFGCGKQXFYRB-BDAKNGLRSA-N 1 0 240.269 1.440 10 0 BDAERO COCC1CC([NH2+]Cc2cnc(C)o2)C1 ZINC000713927705 712473329 /nfs/dbraw/zinc/47/33/29/712473329.db2.gz LPTZXJBWZQYKNL-UHFFFAOYSA-N 1 0 210.277 1.498 10 0 BDAERO CCC1([NH3+])CCN(c2ncc(F)cn2)CC1 ZINC000714751500 712497265 /nfs/dbraw/zinc/49/72/65/712497265.db2.gz DELULINONYWVMG-UHFFFAOYSA-N 1 0 224.283 1.323 10 0 BDAERO [NH3+]C1CC(CNC(=O)CC2CCSCC2)C1 ZINC000715091467 712508144 /nfs/dbraw/zinc/50/81/44/712508144.db2.gz KJMUJWCJLMCWMM-UHFFFAOYSA-N 1 0 242.388 1.373 10 0 BDAERO CCc1cc(CC)nc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715094661 712508547 /nfs/dbraw/zinc/50/85/47/712508547.db2.gz XCWNRYSDRDNSQM-MGCOHNPYSA-N 1 0 234.347 1.751 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ccncc2Cl)C1 ZINC000715113751 712510012 /nfs/dbraw/zinc/51/00/12/712510012.db2.gz KMSMNJGGDYXNHL-ZKCHVHJHSA-N 1 0 211.696 1.306 10 0 BDAERO COc1cccnc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715133028 712513768 /nfs/dbraw/zinc/51/37/68/712513768.db2.gz UKQNJSOKDNMHBX-KYZUINATSA-N 1 0 207.277 1.239 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccns2)C1 ZINC000715993344 712551427 /nfs/dbraw/zinc/55/14/27/712551427.db2.gz JVQKCOMVYQIYAH-VHSXEESVSA-N 1 0 225.361 1.888 10 0 BDAERO COC1CC(C[NH+]2CCC(C(C)(C)O)CC2)C1 ZINC000716394169 712558186 /nfs/dbraw/zinc/55/81/86/712558186.db2.gz MLTLVWBKAGISHA-UHFFFAOYSA-N 1 0 241.375 1.894 10 0 BDAERO CC(C)[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716687574 712570326 /nfs/dbraw/zinc/57/03/26/712570326.db2.gz PGNSUGIREXILOW-POSLAHMBSA-N 1 0 240.347 1.044 10 0 BDAERO CCCCC[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716746763 712571909 /nfs/dbraw/zinc/57/19/09/712571909.db2.gz UHNIDQJQCHSNHP-WHXUTIOJSA-N 1 0 212.337 1.809 10 0 BDAERO C[C@@H](CC1CCC1)[NH2+]C1CC(C(N)=O)C1 ZINC000716740318 712571919 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ZINC000721213587 712898949 /nfs/dbraw/zinc/89/89/49/712898949.db2.gz GTLSMXOBOBGGKJ-JTQLQIEISA-N 1 0 228.336 1.047 10 0 BDAERO Cc1nnc(N[C@@H]2C[NH2+]CC2(C)C)s1 ZINC000721897669 710689706 /nfs/dbraw/zinc/68/97/06/710689706.db2.gz LVSJBKFAQYSPKH-SSDOTTSWSA-N 1 0 212.322 1.256 10 0 BDAERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000721227970 712899681 /nfs/dbraw/zinc/89/96/81/712899681.db2.gz LUHTXSZDUONBSL-WHOHXGKFSA-N 1 0 215.337 1.693 10 0 BDAERO CCO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H](C)O)C1 ZINC000721227969 712899691 /nfs/dbraw/zinc/89/96/91/712899691.db2.gz LUHTXSZDUONBSL-NOOOWODRSA-N 1 0 215.337 1.693 10 0 BDAERO Cc1csc(C[NH2+]C[C@H]2CC(=O)N(C)C2)n1 ZINC000722738714 710721059 /nfs/dbraw/zinc/72/10/59/710721059.db2.gz TZGQUGSULBFJTO-SECBINFHSA-N 1 0 239.344 1.019 10 0 BDAERO CN1C[C@H](C[NH2+]CC2(C)CCCC2)CC1=O ZINC000722743065 710721130 /nfs/dbraw/zinc/72/11/30/710721130.db2.gz WGQIDPSUMPIGTJ-NSHDSACASA-N 1 0 224.348 1.635 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000380539991 712901256 /nfs/dbraw/zinc/90/12/56/712901256.db2.gz GWWANHDQICUCSC-ZCFIWIBFSA-N 1 0 244.682 1.427 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1nc2ccccc2n1C ZINC000723793999 710731576 /nfs/dbraw/zinc/73/15/76/710731576.db2.gz XDZLCWDTINQJEU-MNOVXSKESA-N 1 0 244.342 1.841 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncnc2ccccc21 ZINC000723792796 710732120 /nfs/dbraw/zinc/73/21/20/710732120.db2.gz MIILCYDWTNJVFJ-MNOVXSKESA-N 1 0 242.326 1.897 10 0 BDAERO COc1cccnc1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000723821085 710733043 /nfs/dbraw/zinc/73/30/43/710733043.db2.gz LVFDJLFONODPJR-ZJUUUORDSA-N 1 0 221.304 1.358 10 0 BDAERO Cc1cnc(C[NH2+]C2CCOCC2)c(C)c1 ZINC000724020645 710737050 /nfs/dbraw/zinc/73/70/50/710737050.db2.gz AAIZKWDFPQQBRY-UHFFFAOYSA-N 1 0 220.316 1.967 10 0 BDAERO OC1CC2(C[C@H]2[NH2+]CCc2ccccc2)C1 ZINC000724947783 710750646 /nfs/dbraw/zinc/75/06/46/710750646.db2.gz VWEZDECWHXOHOZ-ROKHWSDSSA-N 1 0 217.312 1.732 10 0 BDAERO 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Nc1cccc([C@@H]2CCNc3[nH+]ccn32)c1 ZINC000236386267 711493405 /nfs/dbraw/zinc/49/34/05/711493405.db2.gz CXRMQAVPCHFAJI-NSHDSACASA-N 1 0 214.272 1.870 10 0 BDAERO CCc1cc(N2C3CCC2(C[NH3+])CC3)nc(C)n1 ZINC000722988110 711494116 /nfs/dbraw/zinc/49/41/16/711494116.db2.gz ZURWIIJDEDFKFB-UHFFFAOYSA-N 1 0 246.358 1.808 10 0 BDAERO OC1CC(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723650028 711529915 /nfs/dbraw/zinc/52/99/15/711529915.db2.gz GLUAIWJBBYZWTJ-ANNIKCPVSA-N 1 0 239.359 1.552 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715501569 711548768 /nfs/dbraw/zinc/54/87/68/711548768.db2.gz UTFMPMAAGPBUAB-YIZRAAEISA-N 1 0 232.274 1.083 10 0 BDAERO COC(=O)C=C1CC[NH+](CC(C)C)CC1 ZINC000234507233 711557853 /nfs/dbraw/zinc/55/78/53/711557853.db2.gz JGUYWBILBSHNEQ-UHFFFAOYSA-N 1 0 211.305 1.838 10 0 BDAERO Cc1cnc(CN[C@@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000724073975 711559086 /nfs/dbraw/zinc/55/90/86/711559086.db2.gz SQJPQHBVIWYVKC-QWHCGFSZSA-N 1 0 233.359 1.929 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000052762746 711637094 /nfs/dbraw/zinc/63/70/94/711637094.db2.gz NHNAMJZTOJKGTK-YVGDHZEHSA-N 1 0 203.713 1.976 10 0 BDAERO CC1(C)C[C@@H]1c1noc(C[C@@H](N)C(F)F)n1 ZINC000725074932 711649561 /nfs/dbraw/zinc/64/95/61/711649561.db2.gz WZZZANCQIIOLAB-PHDIDXHHSA-N 1 0 231.246 1.718 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000334207309 711714111 /nfs/dbraw/zinc/71/41/11/711714111.db2.gz BYXPJBBKASXBAC-DGCLKSJQSA-N 1 0 248.374 1.861 10 0 BDAERO Cc1cc(N[C@@H]2CNOC2)c2ccccc2[nH+]1 ZINC000722501469 711760097 /nfs/dbraw/zinc/76/00/97/711760097.db2.gz PRUGISBESAVECY-SNVBAGLBSA-N 1 0 229.283 1.280 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188476729 711780226 /nfs/dbraw/zinc/78/02/26/711780226.db2.gz FITHYSRVXVONKN-QWHCGFSZSA-N 1 0 246.354 1.686 10 0 BDAERO CCc1ccccc1[C@H]1CC[NH2+]C[C@@H]1N ZINC000669384788 711790248 /nfs/dbraw/zinc/79/02/48/711790248.db2.gz GJKUXNJHBZCHMH-OLZOCXBDSA-N 1 0 204.317 1.653 10 0 BDAERO COC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C(C)C ZINC000721877922 711794861 /nfs/dbraw/zinc/79/48/61/711794861.db2.gz IORXCMFWHNUQSQ-RYUDHWBXSA-N 1 0 231.380 1.902 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000349336698 711825643 /nfs/dbraw/zinc/82/56/43/711825643.db2.gz XKNROZUDQHBSNU-UWVGGRQHSA-N 1 0 246.314 1.331 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1ccccc1 ZINC000228131239 711833655 /nfs/dbraw/zinc/83/36/55/711833655.db2.gz ZVLJETJUWBXYIF-YHFBFXLGSA-N 1 0 244.338 1.943 10 0 BDAERO Cc1cc(C(C)C)nc(N(C)C[C@H](C)[NH3+])n1 ZINC000229932728 711839561 /nfs/dbraw/zinc/83/95/61/711839561.db2.gz HILNETJGBYJLPB-VIFPVBQESA-N 1 0 222.336 1.692 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ncnc2ccsc21 ZINC000721984478 711858015 /nfs/dbraw/zinc/85/80/15/711858015.db2.gz QIMOIJRIIFWXFX-VXNVDRBHSA-N 1 0 234.328 1.711 10 0 BDAERO CCc1nsc(N[C@H]2C[NH2+]CC2(C)C)n1 ZINC000721936581 711940471 /nfs/dbraw/zinc/94/04/71/711940471.db2.gz CGIVQAGXLBBHPZ-ZETCQYMHSA-N 1 0 226.349 1.510 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H](C)[C@@H]2CCOC2)n1 ZINC000700462853 711995959 /nfs/dbraw/zinc/99/59/59/711995959.db2.gz QLSNGAZNXMRNGQ-VHSXEESVSA-N 1 0 237.303 1.005 10 0 BDAERO C[C@H]1CN(C(=O)c2cccnc2Cl)C[C@H]1[NH3+] ZINC000700609328 712001104 /nfs/dbraw/zinc/00/11/04/712001104.db2.gz XRJFWQXUBXLCHF-IONNQARKSA-N 1 0 239.706 1.154 10 0 BDAERO CC(C)c1cnc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000700758737 712004117 /nfs/dbraw/zinc/00/41/17/712004117.db2.gz CCEZRRRXRNWTOF-SRVKXCTJSA-N 1 0 249.358 1.967 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)/C=C/c1ccccc1F ZINC000700751263 712004588 /nfs/dbraw/zinc/00/45/88/712004588.db2.gz CQKRYAHYBJOOQP-QTSSUADMSA-N 1 0 248.301 1.787 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCOC1CCOCC1 ZINC000701383888 712021575 /nfs/dbraw/zinc/02/15/75/712021575.db2.gz KQKRDIXDAURLLG-GFCCVEGCSA-N 1 0 245.363 1.179 10 0 BDAERO CC(C)Cc1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000701673794 712026578 /nfs/dbraw/zinc/02/65/78/712026578.db2.gz MAWQYOSNSFQNAR-GWCFXTLKSA-N 1 0 235.331 1.909 10 0 BDAERO CC1(c2noc([C@]34CCC[C@H]3C[NH2+]C4)n2)CC1 ZINC000701671943 712027320 /nfs/dbraw/zinc/02/73/20/712027320.db2.gz AVTFRBDQWJYALR-ZANVPECISA-N 1 0 233.315 1.762 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+]C1CC(CO)C1 ZINC000705202722 712123925 /nfs/dbraw/zinc/12/39/25/712123925.db2.gz WVWNFNYFDOBHQP-UHFFFAOYSA-N 1 0 243.738 1.242 10 0 BDAERO CC[C@@H](C)c1noc([C@@H](N)C[NH+](C)C)n1 ZINC000705262696 712127278 /nfs/dbraw/zinc/12/72/78/712127278.db2.gz ALCQHNNUPHUAAM-SFYZADRCSA-N 1 0 212.297 1.145 10 0 BDAERO CN1C[C@@]2(C)C[NH+](CC(C)(C)O)C[C@]2(C)C1 ZINC000705665522 712134901 /nfs/dbraw/zinc/13/49/01/712134901.db2.gz FOBDUPHSQNUNSH-STQMWFEESA-N 1 0 226.364 1.031 10 0 BDAERO CSC1CC([NH2+][C@H](C)c2ncc[nH]2)C1 ZINC000706743012 712153508 /nfs/dbraw/zinc/15/35/08/712153508.db2.gz LYOZSZCDSREXQP-AFPNSQJFSA-N 1 0 211.334 1.954 10 0 BDAERO CCOC(=O)/C=C\C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000706914782 712158253 /nfs/dbraw/zinc/15/82/53/712158253.db2.gz CSESJXPSSGEDAI-LJOBXYEVSA-N 1 0 209.289 1.590 10 0 BDAERO C(C[N@@H+]1C[C@H]2CCC[C@@H]21)C1OCCCO1 ZINC000706940355 712162250 /nfs/dbraw/zinc/16/22/50/712162250.db2.gz ZRUQDHLKZLDHMH-MNOVXSKESA-N 1 0 211.305 1.624 10 0 BDAERO C(C[N@@H+]1C[C@@H]2CCC[C@H]21)C1OCCCO1 ZINC000706940358 712162341 /nfs/dbraw/zinc/16/23/41/712162341.db2.gz ZRUQDHLKZLDHMH-WDEREUQCSA-N 1 0 211.305 1.624 10 0 BDAERO CC[NH2+][C@H](C)C(=O)N[C@@H]1COc2ccccc21 ZINC000707945064 712173699 /nfs/dbraw/zinc/17/36/99/712173699.db2.gz GIRMBAWQEHAKBZ-MWLCHTKSSA-N 1 0 234.299 1.234 10 0 BDAERO C[C@@H]1C[N@H+](CCSC(F)(F)F)C[C@H]1CO ZINC000708624379 712195682 /nfs/dbraw/zinc/19/56/82/712195682.db2.gz SJMKMULUBFFYKS-SFYZADRCSA-N 1 0 243.294 1.800 10 0 BDAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[C@H]1O ZINC000708709473 712197566 /nfs/dbraw/zinc/19/75/66/712197566.db2.gz WWTVPCLOSOXSSS-UMSGYPCISA-N 1 0 227.348 1.383 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708876663 712201723 /nfs/dbraw/zinc/20/17/23/712201723.db2.gz PRHQOZUZVAXORY-DCAQKATOSA-N 1 0 227.352 1.411 10 0 BDAERO C[C@@H]1CN(Cc2ccc(Cl)cn2)C[C@@H]1C[NH3+] ZINC000708874104 712202089 /nfs/dbraw/zinc/20/20/89/712202089.db2.gz CRCDLJZNPJPNKJ-ZJUUUORDSA-N 1 0 239.750 1.762 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC000709179682 712203533 /nfs/dbraw/zinc/20/35/33/712203533.db2.gz ZRMVIZYRHBNAHR-SNVBAGLBSA-N 1 0 209.293 1.167 10 0 BDAERO Cc1nc(C[NH2+]C[C@H]2CCC[C@H]2O)[nH]c1C ZINC000709041745 712207097 /nfs/dbraw/zinc/20/70/97/712207097.db2.gz QSCUOWHZBWLQHO-GHMZBOCLSA-N 1 0 223.320 1.277 10 0 BDAERO Cc1nc(C[NH2+]C[C@@H]2CCC[C@@H]2O)[nH]c1C ZINC000709041752 712207185 /nfs/dbraw/zinc/20/71/85/712207185.db2.gz QSCUOWHZBWLQHO-QWRGUYRKSA-N 1 0 223.320 1.277 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000709660855 712214918 /nfs/dbraw/zinc/21/49/18/712214918.db2.gz CJZIAVWUNCXKIW-JTQLQIEISA-N 1 0 229.364 1.941 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000709765101 712217289 /nfs/dbraw/zinc/21/72/89/712217289.db2.gz GZFGWSGFAOLUFX-JTQLQIEISA-N 1 0 229.364 1.941 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N[C@H]1COc2ccccc21 ZINC000709356860 712220189 /nfs/dbraw/zinc/22/01/89/712220189.db2.gz OZJZYCCORFKGHD-QWRGUYRKSA-N 1 0 234.299 1.234 10 0 BDAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ccccn1)C2 ZINC000709796366 712227207 /nfs/dbraw/zinc/22/72/07/712227207.db2.gz VQSVBJDPHBFVKU-AXFHLTTASA-N 1 0 203.289 1.398 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC000709915203 712232508 /nfs/dbraw/zinc/23/25/08/712232508.db2.gz JDVASCWBVVSMFN-GHMZBOCLSA-N 1 0 226.345 1.579 10 0 BDAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cn(C)cn1 ZINC000710011222 712239863 /nfs/dbraw/zinc/23/98/63/712239863.db2.gz FBVGHXWFKADEPI-QWRGUYRKSA-N 1 0 223.320 1.640 10 0 BDAERO CC(C)n1ccnc1CN(C)C[C@H](C)[NH3+] ZINC000710296832 712250981 /nfs/dbraw/zinc/25/09/81/712250981.db2.gz HAGDZNIRCRJYIS-JTQLQIEISA-N 1 0 210.325 1.243 10 0 BDAERO OC1CC(C[NH2+]Cc2nccn2C2CC2)C1 ZINC000711815017 712329534 /nfs/dbraw/zinc/32/95/34/712329534.db2.gz AOCKVJFGQOGILN-UHFFFAOYSA-N 1 0 221.304 1.079 10 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Cc1nccc(N(C)C2(C[NH3+])CCCCC2)n1 ZINC000713371135 712459610 /nfs/dbraw/zinc/45/96/10/712459610.db2.gz SPONFUSRDOESLG-UHFFFAOYSA-N 1 0 234.347 1.883 10 0 BDAERO CN(C(=O)[C@H]1CO[C@H](C[NH3+])C1)c1ccccc1 ZINC000713792750 712472290 /nfs/dbraw/zinc/47/22/90/712472290.db2.gz JTXOYMBVLQBZQJ-PWSUYJOCSA-N 1 0 234.299 1.013 10 0 BDAERO Cc1cc(C)cc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)c1 ZINC000713777964 712472293 /nfs/dbraw/zinc/47/22/93/712472293.db2.gz CMHIGQJHNIFDHL-DGCLKSJQSA-N 1 0 248.326 1.606 10 0 BDAERO Cc1ccc(N(C)C(=O)[C@@H]2CO[C@H](C[NH3+])C2)cc1 ZINC000713776543 712472297 /nfs/dbraw/zinc/47/22/97/712472297.db2.gz XHWGGZAGJAFSON-AAEUAGOBSA-N 1 0 248.326 1.322 10 0 BDAERO Cc1cccc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)c1 ZINC000713798435 712472500 /nfs/dbraw/zinc/47/25/00/712472500.db2.gz XVJJNNGUMCEUIV-JQWIXIFHSA-N 1 0 234.299 1.297 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)cc1C ZINC000713777522 712472597 /nfs/dbraw/zinc/47/25/97/712472597.db2.gz ZNDAIZYPWHXFPZ-DGCLKSJQSA-N 1 0 248.326 1.606 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000713930063 712473769 /nfs/dbraw/zinc/47/37/69/712473769.db2.gz ZIWZTEFOFROODK-CQLXCSJHSA-N 1 0 226.364 1.484 10 0 BDAERO COCC1CC([NH2+][C@H]2CCn3ccnc32)C1 ZINC000713951979 712474681 /nfs/dbraw/zinc/47/46/81/712474681.db2.gz FHRZACYTHNDUJK-ILDUYXDCSA-N 1 0 221.304 1.343 10 0 BDAERO COCC1CC([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000713962159 712475260 /nfs/dbraw/zinc/47/52/60/712475260.db2.gz RHCWHYIAHVGGLG-WTIISPKJSA-N 1 0 227.348 1.959 10 0 BDAERO COCC1CC(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000713983534 712475888 /nfs/dbraw/zinc/47/58/88/712475888.db2.gz NOZCYOKIBCPCTM-WNYYMSAVSA-N 1 0 242.363 1.147 10 0 BDAERO CC[C@H]1COC[C@@H]1[NH2+]C1CC(COC)C1 ZINC000713983906 712475971 /nfs/dbraw/zinc/47/59/71/712475971.db2.gz GSHLRFDLWIZETO-ADPBJBESSA-N 1 0 213.321 1.426 10 0 BDAERO COCC1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000713978570 712476014 /nfs/dbraw/zinc/47/60/14/712476014.db2.gz QUIKITSSKZWQJM-UHFFFAOYSA-N 1 0 235.327 1.694 10 0 BDAERO COCC1CC([NH2+][C@H](C)C[C@@H]2CCOC2)C1 ZINC000713981609 712476078 /nfs/dbraw/zinc/47/60/78/712476078.db2.gz CRUUTCZYAJJNEL-IALDZJHCSA-N 1 0 227.348 1.816 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCCSC2)C1 ZINC000713985442 712476611 /nfs/dbraw/zinc/47/66/11/712476611.db2.gz PBDIACFWAVLFHI-HSOILSAZSA-N 1 0 215.362 1.897 10 0 BDAERO CC[C@H]1C[C@@H]([NH2+]C2CC(COC)C2)CO1 ZINC000713986888 712476644 /nfs/dbraw/zinc/47/66/44/712476644.db2.gz VLXFRMXFANKRIL-HCWSGVFWSA-N 1 0 213.321 1.569 10 0 BDAERO CC[C@H](C)c1noc([C@@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714059614 712477702 /nfs/dbraw/zinc/47/77/02/712477702.db2.gz NTTHKSPRDVLECH-CIUDSAMLSA-N 1 0 225.292 1.414 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2nccc3nc[nH]c32)C1 ZINC000714227000 712479574 /nfs/dbraw/zinc/47/95/74/712479574.db2.gz VOQCKFFFUKYLQN-SNVBAGLBSA-N 1 0 245.330 1.854 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)O2)C[C@H]1CO ZINC000714328743 712482456 /nfs/dbraw/zinc/48/24/56/712482456.db2.gz DCEVILBDXZWCOD-FRRDWIJNSA-N 1 0 241.375 1.894 10 0 BDAERO CCCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)nn1 ZINC000714402570 712485329 /nfs/dbraw/zinc/48/53/29/712485329.db2.gz ADITZYAWAWHODJ-NEPJUHHUSA-N 1 0 238.335 1.081 10 0 BDAERO COC[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2C)C1 ZINC000714450266 712490382 /nfs/dbraw/zinc/49/03/82/712490382.db2.gz UKQAMLCQCYWCAR-KLPPZKSPSA-N 1 0 223.320 1.243 10 0 BDAERO CCC1([NH3+])CCN([C@@H]2CCn3ccnc32)CC1 ZINC000714753316 712497386 /nfs/dbraw/zinc/49/73/86/712497386.db2.gz JXCLUCGLXKDRED-LLVKDONJSA-N 1 0 234.347 1.531 10 0 BDAERO CCc1ncnc(NC[C@H]2C[C@H]([NH3+])C2)c1F ZINC000715082775 712507271 /nfs/dbraw/zinc/50/72/71/712507271.db2.gz RIWLKVQEHXUOAA-ZKCHVHJHSA-N 1 0 224.283 1.327 10 0 BDAERO CCOC(=O)c1ccc(NC[C@H]2C[C@@H]([NH3+])C2)nc1 ZINC000715110176 712509312 /nfs/dbraw/zinc/50/93/12/712509312.db2.gz RINAIBFBICTNFU-JGZJWPJOSA-N 1 0 249.314 1.408 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ccc(Cl)cn2)C1 ZINC000715113239 712509867 /nfs/dbraw/zinc/50/98/67/712509867.db2.gz DHEJDZSRAOGMOS-XWEPSHTISA-N 1 0 211.696 1.884 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000715114773 712509933 /nfs/dbraw/zinc/50/99/33/712509933.db2.gz XKDLZRABAHGXBZ-UHFFFAOYSA-N 1 0 243.310 1.635 10 0 BDAERO CCCOc1nccnc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715141864 712511803 /nfs/dbraw/zinc/51/18/03/712511803.db2.gz PXOVCJKLJORPQR-MGCOHNPYSA-N 1 0 236.319 1.415 10 0 BDAERO CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000715142625 712511862 /nfs/dbraw/zinc/51/18/62/712511862.db2.gz XEHUFXMTVYLOQA-KLPPZKSPSA-N 1 0 247.342 1.220 10 0 BDAERO C[C@@H]1C[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715386875 712522556 /nfs/dbraw/zinc/52/25/56/712522556.db2.gz RIKOBQPXMJUIDL-PRULPYPASA-N 1 0 222.332 1.291 10 0 BDAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000716445881 712561105 /nfs/dbraw/zinc/56/11/05/712561105.db2.gz RDRHPOZKNYOIBP-FBDQPXRJSA-N 1 0 210.321 1.132 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000716447383 712561398 /nfs/dbraw/zinc/56/13/98/712561398.db2.gz RAQVUBRWWAXXBH-NLMKBYRWSA-N 1 0 236.359 1.535 10 0 BDAERO Cc1n[nH]c(C[NH2+][C@@H]2CCO[C@@H]2C)c1C ZINC000716483416 712565431 /nfs/dbraw/zinc/56/54/31/712565431.db2.gz NMUATQSKZOEJPY-NXEZZACHSA-N 1 0 209.293 1.294 10 0 BDAERO CC1(C)C[C@@H]([NH2+]C2CC(C(N)=O)C2)C(C)(C)O1 ZINC000716684614 712569763 /nfs/dbraw/zinc/56/97/63/712569763.db2.gz BVRQBTDOBVAKBY-UDNWOFFPSA-N 1 0 240.347 1.186 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(F)cn1 ZINC000716681145 712569977 /nfs/dbraw/zinc/56/99/77/712569977.db2.gz YXADJVVKCSHGIZ-ZNFPMYQNSA-N 1 0 237.278 1.135 10 0 BDAERO CCCC(CCC)[NH2+]C1CC(C(N)=O)C1 ZINC000716745887 712572146 /nfs/dbraw/zinc/57/21/46/712572146.db2.gz OZRUPUYDAADPDO-UHFFFAOYSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716758593 712572346 /nfs/dbraw/zinc/57/23/46/712572346.db2.gz AFIHABVDNKUXGJ-QTAHKJALSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000716760807 712572842 /nfs/dbraw/zinc/57/28/42/712572842.db2.gz OYYUKADZDKUXLG-QYNFOATHSA-N 1 0 224.348 1.666 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716774521 712573394 /nfs/dbraw/zinc/57/33/94/712573394.db2.gz FDFXNHHTYISNNQ-QFWMXSHPSA-N 1 0 232.327 1.910 10 0 BDAERO CC1(C)CN(c2nccc3cccnc32)C[C@H]1[NH3+] ZINC000716901100 712581110 /nfs/dbraw/zinc/58/11/10/712581110.db2.gz UVAKGLZEYXJIQE-LLVKDONJSA-N 1 0 242.326 1.803 10 0 BDAERO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC000717275707 712642175 /nfs/dbraw/zinc/64/21/75/712642175.db2.gz CBZINSVRVIAPDB-YGRLFVJLSA-N 1 0 246.310 1.066 10 0 BDAERO CC[C@H]([NH2+]C1CCN(C=O)CC1)C(C)C ZINC000379999875 712651680 /nfs/dbraw/zinc/65/16/80/712651680.db2.gz MDOYPKSNODLBKX-LBPRGKRZSA-N 1 0 212.337 1.631 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H](C)O)cc1C ZINC000717384770 712652947 /nfs/dbraw/zinc/65/29/47/712652947.db2.gz FIIIYWZAMMYAGV-SCRDCRAPSA-N 1 0 237.343 1.696 10 0 BDAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H](C)O)cc1 ZINC000717389608 712653484 /nfs/dbraw/zinc/65/34/84/712653484.db2.gz XKFHSOVLWKDBBH-WDMOLILDSA-N 1 0 237.343 1.641 10 0 BDAERO C(OC1CC1)c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000717736630 712669299 /nfs/dbraw/zinc/66/92/99/712669299.db2.gz PBWLFHFKCMNXBW-VIFPVBQESA-N 1 0 237.303 1.291 10 0 BDAERO [NH3+]C1CC(Cc2nc([C@H]3CC34CC4)no2)C1 ZINC000718048909 712738811 /nfs/dbraw/zinc/73/88/11/712738811.db2.gz BJFOPHUJQULATR-AMDVSUOASA-N 1 0 219.288 1.617 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000718349918 712756277 /nfs/dbraw/zinc/75/62/77/712756277.db2.gz CFYMMZFCXRZPBL-BDAKNGLRSA-N 1 0 234.290 1.679 10 0 BDAERO C[C@H](CN1CCCC1=O)[NH2+]CCc1ccccc1 ZINC000037782292 712756672 /nfs/dbraw/zinc/75/66/72/712756672.db2.gz PSAKNYIDOGPZAC-CYBMUJFWSA-N 1 0 246.354 1.830 10 0 BDAERO Cc1coc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000718455916 712763335 /nfs/dbraw/zinc/76/33/35/712763335.db2.gz HNALNQWMVQWIKG-BDAKNGLRSA-N 1 0 208.261 1.150 10 0 BDAERO CC(F)(F)CCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000718612868 712773147 /nfs/dbraw/zinc/77/31/47/712773147.db2.gz QYBPVXABXZPMDC-MNOVXSKESA-N 1 0 248.317 1.485 10 0 BDAERO C[C@H]1CN(CCCC(C)(F)F)C[C@@H]1[NH3+] ZINC000718721127 712778722 /nfs/dbraw/zinc/77/87/22/712778722.db2.gz DWNKIRZZNRWFIH-IUCAKERBSA-N 1 0 206.280 1.701 10 0 BDAERO CN(c1ccnc2ncccc12)C1CC([NH3+])C1 ZINC000718928858 712789923 /nfs/dbraw/zinc/78/99/23/712789923.db2.gz DTZDSWCYCBOOPT-UHFFFAOYSA-N 1 0 228.299 1.556 10 0 BDAERO CN(CC[NH3+])c1ccnc2ncccc12 ZINC000718980661 712791112 /nfs/dbraw/zinc/79/11/12/712791112.db2.gz CSYNGTZXCYLRFH-UHFFFAOYSA-N 1 0 202.261 1.025 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1ccnc2ncccc12 ZINC000718982420 712791808 /nfs/dbraw/zinc/79/18/08/712791808.db2.gz VDUVLEXOMHPXLV-NSHDSACASA-N 1 0 242.326 1.818 10 0 BDAERO C[C@@H](C[NH2+]CCc1ccccc1)N(C)C ZINC000038088696 712806635 /nfs/dbraw/zinc/80/66/35/712806635.db2.gz LQBOWMQVNIMKGR-LBPRGKRZSA-N 1 0 206.333 1.769 10 0 BDAERO C[C@@H]1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCN1C ZINC000719650586 712820540 /nfs/dbraw/zinc/82/05/40/712820540.db2.gz YVIVEGHKEYCZMS-MLGHIDQZSA-N 1 0 238.375 1.482 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719701766 712821915 /nfs/dbraw/zinc/82/19/15/712821915.db2.gz NWBVRRQSBDZDDA-DGCLKSJQSA-N 1 0 229.364 1.630 10 0 BDAERO C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000720506748 712847963 /nfs/dbraw/zinc/84/79/63/712847963.db2.gz QIPJRMQMXLBTDA-BDAKNGLRSA-N 1 0 246.301 1.475 10 0 BDAERO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c(C)nn1 ZINC000720605353 712857911 /nfs/dbraw/zinc/85/79/11/712857911.db2.gz ISCMMFAKRXJDJT-RNCFNFMXSA-N 1 0 235.331 1.154 10 0 BDAERO C[NH2+]CCc1noc([C@H](C)[C@@H]2CCCO2)n1 ZINC000720608636 712858661 /nfs/dbraw/zinc/85/86/61/712858661.db2.gz JTCLXNANGOYPOI-BDAKNGLRSA-N 1 0 225.292 1.114 10 0 BDAERO CCCc1nsc(N(CC[NH2+]C)C(C)C)n1 ZINC000720802156 712866642 /nfs/dbraw/zinc/86/66/42/712866642.db2.gz WIKVEUMSUWVPCD-UHFFFAOYSA-N 1 0 242.392 1.925 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720862920 712871563 /nfs/dbraw/zinc/87/15/63/712871563.db2.gz WMRNARSIOCXCMR-YVECIDJPSA-N 1 0 241.375 1.941 10 0 BDAERO C[NH+](C)C1(C)CC[NH+](CCCC(=O)[O-])CC1 ZINC000709774011 969040097 /nfs/dbraw/zinc/04/00/97/969040097.db2.gz VICIAKZKACUVNK-UHFFFAOYSA-N 1 0 228.336 1.267 10 0 BDAERO C[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000687725469 976156186 /nfs/dbraw/zinc/15/61/86/976156186.db2.gz OFLAEDYXGJVVBY-GFCCVEGCSA-N 1 0 240.347 1.267 10 0 BDAERO C[C@@H](C(=O)[O-])[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714432200 977673674 /nfs/dbraw/zinc/67/36/74/977673674.db2.gz XFXQKKYUBASEEH-VIFPVBQESA-N 1 0 228.336 1.156 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@H]1[NH3+] ZINC000685953877 538898675 /nfs/dbraw/zinc/89/86/75/538898675.db2.gz JFHXMNRRIDLHHK-GMTAPVOTSA-N 1 0 233.377 1.573 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H]([NH2+]CC)C[C@@H]1C ZINC000685954504 538899078 /nfs/dbraw/zinc/89/90/78/538899078.db2.gz NQQJXFJMQHKNAV-QJPTWQEYSA-N 1 0 247.404 1.978 10 0 BDAERO CC[NH2+][C@@H]1CC[C@H](S(C)(=O)=O)[C@H](C)C1 ZINC000685954484 538899431 /nfs/dbraw/zinc/89/94/31/538899431.db2.gz NKHYPMQWJFMGOF-BBBLOLIVSA-N 1 0 219.350 1.198 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000685955163 538900626 /nfs/dbraw/zinc/90/06/26/538900626.db2.gz VKSVQVOBDOZFIL-GARJFASQSA-N 1 0 233.377 1.575 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C[NH3+])C[C@@H]1C ZINC000685955251 538900820 /nfs/dbraw/zinc/90/08/20/538900820.db2.gz WUMNVZMGNLABRM-GARJFASQSA-N 1 0 233.377 1.575 10 0 BDAERO COC(C)(C)CCOCC(F)(F)C[NH3+] ZINC000685956079 538902510 /nfs/dbraw/zinc/90/25/10/538902510.db2.gz MMBKFYYGJXXHBS-UHFFFAOYSA-N 1 0 211.252 1.412 10 0 BDAERO CC(C)(C)[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000685962936 538909595 /nfs/dbraw/zinc/90/95/95/538909595.db2.gz AWASSIGKNKDKIV-LBPRGKRZSA-N 1 0 229.364 1.800 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@H](C[NH3+])C[C@H]1C ZINC000685952743 538897060 /nfs/dbraw/zinc/89/70/60/538897060.db2.gz CRMZJTXMYKTKKJ-OUAUKWLOSA-N 1 0 233.377 1.573 10 0 BDAERO CC(C)C[NH2+]CC[C@@H](CO)[C@@H]1CCOC1 ZINC000685963887 538910803 /nfs/dbraw/zinc/91/08/03/538910803.db2.gz ZGRWESLTUNBCSR-NWDGAFQWSA-N 1 0 215.337 1.267 10 0 BDAERO COc1ccccc1Cn1cnc(N)c1 ZINC000685964213 538910913 /nfs/dbraw/zinc/91/09/13/538910913.db2.gz OZXBMXRHMIPDLA-UHFFFAOYSA-N 1 0 203.245 1.522 10 0 BDAERO COc1cc(C=O)cc2c1O[C@H](CC[NH3+])C2 ZINC000685965773 538912444 /nfs/dbraw/zinc/91/24/44/538912444.db2.gz SEEIRHKAEHQETQ-SNVBAGLBSA-N 1 0 221.256 1.160 10 0 BDAERO Cc1cc(CC[NH3+])nc(Cc2cccs2)n1 ZINC000054833773 177962343 /nfs/dbraw/zinc/96/23/43/177962343.db2.gz ZCALPZBTPBCSEW-UHFFFAOYSA-N 1 0 233.340 1.939 10 0 BDAERO Cc1cc(CCOCC[NH3+])c(C)n1C1CC1 ZINC000077334628 177966200 /nfs/dbraw/zinc/96/62/00/177966200.db2.gz OLVDLYFIXJCJDK-UHFFFAOYSA-N 1 0 222.332 1.958 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCOC1 ZINC000052762525 136211968 /nfs/dbraw/zinc/21/19/68/136211968.db2.gz FIHJDHGZHIGQON-NWDGAFQWSA-N 1 0 213.321 1.260 10 0 BDAERO CCC(CC)(C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000054636530 168323872 /nfs/dbraw/zinc/32/38/72/168323872.db2.gz ICUYSYWVNVFJEQ-SECBINFHSA-N 1 0 219.350 1.186 10 0 BDAERO OCC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161609008 349484883 /nfs/dbraw/zinc/48/48/83/349484883.db2.gz ODPMAWCEOMJXDP-CQSZACIVSA-N 1 0 219.328 1.933 10 0 BDAERO Cc1cc(N)c[nH+]c1NC[C@H]1CCOC1 ZINC000061146746 187322441 /nfs/dbraw/zinc/32/24/41/187322441.db2.gz BHLUTXQQPBOJSD-SECBINFHSA-N 1 0 207.277 1.421 10 0 BDAERO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CO)CS1 ZINC000378721698 346813314 /nfs/dbraw/zinc/81/33/14/346813314.db2.gz QWMRYYHSOQSTLM-LNFKQOIKSA-N 1 0 229.389 1.877 10 0 BDAERO CSCC[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000306246028 136213461 /nfs/dbraw/zinc/21/34/61/136213461.db2.gz COGYQIILAPJPTL-VHSXEESVSA-N 1 0 201.335 1.460 10 0 BDAERO CCC(CC)([NH2+]C1CCCCC1)C(N)=O ZINC000037969799 168331024 /nfs/dbraw/zinc/33/10/24/168331024.db2.gz JDQABRGKYDNCMX-UHFFFAOYSA-N 1 0 212.337 1.953 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)CCc1ccco1 ZINC000063170721 349501023 /nfs/dbraw/zinc/50/10/23/349501023.db2.gz CQIVOWFKAJCIJS-SECBINFHSA-N 1 0 210.277 1.066 10 0 BDAERO Cc1cc(CN2CC[NH2+]CC2)cc(C)c1O ZINC000033667301 177996908 /nfs/dbraw/zinc/99/69/08/177996908.db2.gz LHAZDSBCDLPTGO-UHFFFAOYSA-N 1 0 220.316 1.414 10 0 BDAERO [NH3+][C@@H]1CC[C@H](CN=S2(=O)CCCC2)C1 ZINC000307398373 398159724 /nfs/dbraw/zinc/15/97/24/398159724.db2.gz YBCGOEIQHXGRHL-VHSXEESVSA-N 1 0 216.350 1.376 10 0 BDAERO Cc1cc(C[NH2+]C[C@H](O)C(C)(C)C)no1 ZINC000336715477 178024719 /nfs/dbraw/zinc/02/47/19/178024719.db2.gz WSJSQBGROSEOEZ-JTQLQIEISA-N 1 0 212.293 1.480 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000122696370 187324832 /nfs/dbraw/zinc/32/48/32/187324832.db2.gz LOXYLTOTBNBRNI-VHSXEESVSA-N 1 0 208.309 1.747 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCNC2=O)c(C)s1 ZINC000050395589 178033370 /nfs/dbraw/zinc/03/33/70/178033370.db2.gz YLYQQSOMTJJJRM-LLVKDONJSA-N 1 0 238.356 1.733 10 0 BDAERO CCC(CC)C(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749766 168336532 /nfs/dbraw/zinc/33/65/32/168336532.db2.gz SJUXSNNGUCMILK-YOGCLGLASA-N 1 0 224.348 1.903 10 0 BDAERO C[C@@H]1CN[C@@](C)([C@H]2CCC[NH2+]C2)S1 ZINC000575517183 398174732 /nfs/dbraw/zinc/17/47/32/398174732.db2.gz HOQLQMXBLGMHTG-KXUCPTDWSA-N 1 0 200.351 1.427 10 0 BDAERO Cc1cc(CO)ccc1N1CCC[N@@H+](C)CC1 ZINC000050560680 178046366 /nfs/dbraw/zinc/04/63/66/178046366.db2.gz GZORLONLDKGAFH-UHFFFAOYSA-N 1 0 234.343 1.629 10 0 BDAERO Cc1cc(C[C@@H](C)[NH3+])nc(-c2cnccn2)n1 ZINC000054835511 178052969 /nfs/dbraw/zinc/05/29/69/178052969.db2.gz MKLHKTHULYIMMI-MRVPVSSYSA-N 1 0 229.287 1.132 10 0 BDAERO Cc1cc(Cl)nc(OC[C@@H]2CC[NH2+]C2)n1 ZINC000095068951 178071454 /nfs/dbraw/zinc/07/14/54/178071454.db2.gz DUMLIANFWCYCJN-MRVPVSSYSA-N 1 0 227.695 1.427 10 0 BDAERO Cc1cc(Cl)nc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000095068946 178071510 /nfs/dbraw/zinc/07/15/10/178071510.db2.gz BJTYNPHSRXLXKR-SECBINFHSA-N 1 0 241.722 1.959 10 0 BDAERO C[C@H]1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000379784403 398166504 /nfs/dbraw/zinc/16/65/04/398166504.db2.gz HHVNCHFLRSMXRH-UWVGGRQHSA-N 1 0 208.309 1.563 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000649374722 398185855 /nfs/dbraw/zinc/18/58/55/398185855.db2.gz DHDPWJZOASSNIY-USZNOCQGSA-N 1 0 242.363 1.432 10 0 BDAERO Cc1cc(F)ccc1C[NH2+]C(C)(C)CO ZINC000050569247 178085496 /nfs/dbraw/zinc/08/54/96/178085496.db2.gz LRQXNZIUGJJHSD-UHFFFAOYSA-N 1 0 211.280 1.995 10 0 BDAERO Cc1cc(N2CCC[N@@H+](C)CC2)ccc1N ZINC000035277564 178114965 /nfs/dbraw/zinc/11/49/65/178114965.db2.gz CSOPZZZNMBDBTF-UHFFFAOYSA-N 1 0 219.332 1.719 10 0 BDAERO Cc1cc(F)ccc1[C@H]1C[C@]1(C[NH3+])CO ZINC000070500513 178092395 /nfs/dbraw/zinc/09/23/95/178092395.db2.gz UTFMPECBEZTCCI-NEPJUHHUSA-N 1 0 209.264 1.559 10 0 BDAERO Cc1cc(N(C)C[C@@H](C)C(N)=[NH2+])nc(C(C)C)n1 ZINC000042459915 178098227 /nfs/dbraw/zinc/09/82/27/178098227.db2.gz PFWWFRUMKYXNFI-SECBINFHSA-N 1 0 249.362 1.917 10 0 BDAERO Cc1cc2ncnn2c(N(CCC[NH3+])C(C)C)c1 ZINC000037673886 178102027 /nfs/dbraw/zinc/10/20/27/178102027.db2.gz VJLZBENHPNEBPP-UHFFFAOYSA-N 1 0 247.346 1.601 10 0 BDAERO CCC[C@H](C)C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000182186143 136218950 /nfs/dbraw/zinc/21/89/50/136218950.db2.gz YBJSFVYTXIYSDU-JSGCOSHPSA-N 1 0 240.391 1.875 10 0 BDAERO CCN(CC(F)F)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000386240182 398201012 /nfs/dbraw/zinc/20/10/12/398201012.db2.gz SKTBBEZNEPKFIS-DTWKUNHWSA-N 1 0 234.290 1.475 10 0 BDAERO C[C@@H]1CN(c2ncncc2Cl)C[C@@]1(C)C[NH3+] ZINC000380813804 398208690 /nfs/dbraw/zinc/20/86/90/398208690.db2.gz KOFGBBGGKKVNER-LDYMZIIASA-N 1 0 240.738 1.551 10 0 BDAERO Cc1cc(NC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000019506785 178148500 /nfs/dbraw/zinc/14/85/00/178148500.db2.gz QQSLUWRPJPYHTI-OUAUKWLOSA-N 1 0 249.314 1.842 10 0 BDAERO CCc1ccc(N2C[C@H](C[NH3+])OC2=O)cc1 ZINC000019669073 538927157 /nfs/dbraw/zinc/92/71/57/538927157.db2.gz IHNQNJBJKXPUGL-NSHDSACASA-N 1 0 220.272 1.533 10 0 BDAERO Cc1cc(NC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)no1 ZINC000019479551 178149026 /nfs/dbraw/zinc/14/90/26/178149026.db2.gz CDXUZFAEOVQQEO-OUAUKWLOSA-N 1 0 249.314 1.842 10 0 BDAERO CC(C)(C)[C@H]1CCC2(OCCO2)[C@H]([NH3+])C1 ZINC000238856525 187329359 /nfs/dbraw/zinc/32/93/59/187329359.db2.gz WDPSIBMZAOPEPT-VHSXEESVSA-N 1 0 213.321 1.903 10 0 BDAERO C[C@H]1C[NH2+]C[C@]1(C)CNC(=O)OC(C)(C)C ZINC000238854803 187329822 /nfs/dbraw/zinc/32/98/22/187329822.db2.gz PLLIFPFHFHXRNX-JOYOIKCWSA-N 1 0 228.336 1.757 10 0 BDAERO CC(C)(C)[C@@H]1CCC2(OCCO2)[C@H]([NH3+])C1 ZINC000238856521 187329987 /nfs/dbraw/zinc/32/99/87/187329987.db2.gz WDPSIBMZAOPEPT-NXEZZACHSA-N 1 0 213.321 1.903 10 0 BDAERO Cc1cc(NC[C@@H]2CN(C3CC3)CCO2)cc[nH+]1 ZINC000302221498 178167220 /nfs/dbraw/zinc/16/72/20/178167220.db2.gz NYJUDJIYFNRRGE-CQSZACIVSA-N 1 0 247.342 1.665 10 0 BDAERO Cc1cc(N[C@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000040673346 178188397 /nfs/dbraw/zinc/18/83/97/178188397.db2.gz LXFDXUIKEZCARK-NSHDSACASA-N 1 0 220.320 1.600 10 0 BDAERO Cc1cc(NC[C@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000095068974 178170197 /nfs/dbraw/zinc/17/01/97/178170197.db2.gz KIBBIYPVGRZXTD-QMMMGPOBSA-N 1 0 226.711 1.460 10 0 BDAERO CC(=O)CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000086657865 187330833 /nfs/dbraw/zinc/33/08/33/187330833.db2.gz JRLTWRSBDQMUCQ-GFCCVEGCSA-N 1 0 210.321 1.136 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1cccs1 ZINC000082920454 136222110 /nfs/dbraw/zinc/22/21/10/136222110.db2.gz XNYSVBWTLGSEEG-UWVGGRQHSA-N 1 0 224.329 1.492 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000178081042 398223804 /nfs/dbraw/zinc/22/38/04/398223804.db2.gz SAARYUFDXTXGTE-SNVBAGLBSA-N 1 0 238.335 1.704 10 0 BDAERO C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]2C)CCC1 ZINC000386964845 398223924 /nfs/dbraw/zinc/22/39/24/398223924.db2.gz ZUHLCDZGQIUPIV-QWRGUYRKSA-N 1 0 224.348 1.681 10 0 BDAERO Cc1cc(N[C@H]2CCCC[C@@H]2[NH3+])nc(C)n1 ZINC000038050687 178189413 /nfs/dbraw/zinc/18/94/13/178189413.db2.gz WXSASFGPYBAMHA-QWRGUYRKSA-N 1 0 220.320 1.775 10 0 BDAERO C[C@@]1(OCc2cnns2)CCC[NH2+]C1 ZINC000306640745 361749512 /nfs/dbraw/zinc/74/95/12/361749512.db2.gz KQJZSNPTAQTPOY-SECBINFHSA-N 1 0 213.306 1.197 10 0 BDAERO C[Si](C)(C)CCOC(=O)NCCCC[NH3+] ZINC000195848534 361756369 /nfs/dbraw/zinc/75/63/69/361756369.db2.gz ILZMTTFQGSPZQW-UHFFFAOYSA-N 1 0 232.400 1.790 10 0 BDAERO Cc1cc(OC[C@H](O)C[NH3+])ccc1C(C)C ZINC000008028898 178212276 /nfs/dbraw/zinc/21/22/76/178212276.db2.gz BUKXYRXXXUCVFN-LLVKDONJSA-N 1 0 223.316 1.817 10 0 BDAERO Cc1cc(O[C@@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000095068975 178212995 /nfs/dbraw/zinc/21/29/95/178212995.db2.gz OCDYDFFDHUYQLT-MRVPVSSYSA-N 1 0 227.695 1.569 10 0 BDAERO C[C@@H]1C[NH2+]CCN(Cc2nccs2)C1 ZINC000306642534 361771933 /nfs/dbraw/zinc/77/19/33/361771933.db2.gz TZUKCMCSABNHLP-SECBINFHSA-N 1 0 211.334 1.184 10 0 BDAERO Cc1cc(S[C@H](C[NH3+])c2ccccn2)n(C)n1 ZINC000052309536 178219888 /nfs/dbraw/zinc/21/98/88/178219888.db2.gz YIDWTTDYEXSVOM-LLVKDONJSA-N 1 0 248.355 1.916 10 0 BDAERO CNc1nnc(S[C@H]2CCC[C@H]2[NH3+])s1 ZINC000306642662 361774194 /nfs/dbraw/zinc/77/41/94/361774194.db2.gz UJDQNGDTJHTNSV-RITPCOANSA-N 1 0 230.362 1.552 10 0 BDAERO Cc1cc([C@@H]([NH3+])Cc2ncc[nH]2)c(C)o1 ZINC000035382273 178237191 /nfs/dbraw/zinc/23/71/91/178237191.db2.gz VWNHCUBCSFHXNT-JTQLQIEISA-N 1 0 205.261 1.862 10 0 BDAERO Cc1cc([C@H]([NH3+])CO)c(Cl)cc1N ZINC000072197886 178262727 /nfs/dbraw/zinc/26/27/27/178262727.db2.gz PVFHOHLUKXQFHH-SECBINFHSA-N 1 0 200.669 1.223 10 0 BDAERO Cc1cc([C@H](O)C[NH3+])c2ccccc2n1 ZINC000083284134 178263959 /nfs/dbraw/zinc/26/39/59/178263959.db2.gz LTHHHFMREZKWPS-GFCCVEGCSA-N 1 0 202.257 1.535 10 0 BDAERO CCc1cnc(CN2C[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000576470386 365604705 /nfs/dbraw/zinc/60/47/05/365604705.db2.gz XKTWRFAPJXIEPK-WPRPVWTQSA-N 1 0 209.293 1.016 10 0 BDAERO CO[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000356404738 398247919 /nfs/dbraw/zinc/24/79/19/398247919.db2.gz BBWUKCYQGBVHTF-STQMWFEESA-N 1 0 224.348 1.191 10 0 BDAERO CO[C@H](CN1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000356404735 398247980 /nfs/dbraw/zinc/24/79/80/398247980.db2.gz BBWUKCYQGBVHTF-QWHCGFSZSA-N 1 0 224.348 1.191 10 0 BDAERO Cc1cc2nnc(-c3cccc(C[NH3+])c3)n2cn1 ZINC000050194733 178305343 /nfs/dbraw/zinc/30/53/43/178305343.db2.gz KEWTYUDBUYXIJS-UHFFFAOYSA-N 1 0 239.282 1.558 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCC(F)(F)F ZINC000306864580 259310420 /nfs/dbraw/zinc/31/04/20/259310420.db2.gz LMECATIUYPKMMS-JGVFFNPUSA-N 1 0 211.227 1.784 10 0 BDAERO CCC(CC)(CN[C@@H]1CC[NH2+]C1)SC ZINC000232936930 136230061 /nfs/dbraw/zinc/23/00/61/136230061.db2.gz AERFRVHLAODMEU-SNVBAGLBSA-N 1 0 216.394 1.860 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccnc1 ZINC000078516176 398259070 /nfs/dbraw/zinc/25/90/70/398259070.db2.gz APGFQPNAFMCLEU-AAEUAGOBSA-N 1 0 235.331 1.063 10 0 BDAERO CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CCCO ZINC000386304214 398264659 /nfs/dbraw/zinc/26/46/59/398264659.db2.gz LAJPDBATWAADEZ-CHWSQXEVSA-N 1 0 226.364 1.318 10 0 BDAERO Cc1ccc(=O)n(CCC[C@H]2CCC[NH2+]2)n1 ZINC000061810558 178361233 /nfs/dbraw/zinc/36/12/33/178361233.db2.gz HVOPSGAALGPDTK-LLVKDONJSA-N 1 0 221.304 1.084 10 0 BDAERO CC(C)(C)OC(=O)C[C@@H]1COCC[C@H]1[NH3+] ZINC000200603121 538949575 /nfs/dbraw/zinc/94/95/75/538949575.db2.gz LCZHXDHXTTXPQY-RKDXNWHRSA-N 1 0 215.293 1.082 10 0 BDAERO C[C@H](O)C1CC[NH+](C[C@@H]2CCCN2C)CC1 ZINC000386291302 398264835 /nfs/dbraw/zinc/26/48/35/398264835.db2.gz HYMOMEFRIQIEDK-AAEUAGOBSA-N 1 0 226.364 1.173 10 0 BDAERO Cc1ccc(C(=O)C2(O)CC[NH2+]CC2)cc1 ZINC000147937972 178371311 /nfs/dbraw/zinc/37/13/11/178371311.db2.gz OBWBWQOZNGFBSP-UHFFFAOYSA-N 1 0 219.284 1.292 10 0 BDAERO COc1cccnc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000386518185 398265278 /nfs/dbraw/zinc/26/52/78/398265278.db2.gz NEYKVZGSUFKCQP-FZMZJTMJSA-N 1 0 247.342 1.655 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)o1 ZINC000170861784 178395896 /nfs/dbraw/zinc/39/58/96/178395896.db2.gz MBVMRXBZNRDTIF-SNVBAGLBSA-N 1 0 222.288 1.364 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCNC2=O)cc1F ZINC000179069884 538954232 /nfs/dbraw/zinc/95/42/32/538954232.db2.gz LPQQEUTYSOQTSP-CABZTGNLSA-N 1 0 236.290 1.673 10 0 BDAERO Cc1ccsc1[C@H]([NH3+])[C@H](C)S(C)(=O)=O ZINC000167675130 346830758 /nfs/dbraw/zinc/83/07/58/346830758.db2.gz JVHAQSSJFYXODE-JGVFFNPUSA-N 1 0 233.358 1.489 10 0 BDAERO CCn1cc(C(=O)[C@@H]2CCCC[NH2+]2)cn1 ZINC000167680829 346833909 /nfs/dbraw/zinc/83/39/09/346833909.db2.gz YGNOOFUBCZXTNE-JTQLQIEISA-N 1 0 207.277 1.228 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cccc3ccnnc32)C1 ZINC000616613026 349603569 /nfs/dbraw/zinc/60/35/69/349603569.db2.gz WEFKZUJDUDJHKK-LBPRGKRZSA-N 1 0 242.326 1.378 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1[C@H]1CCSC1 ZINC000306651529 361856126 /nfs/dbraw/zinc/85/61/26/361856126.db2.gz GBKFMEUDQXPVFU-BBBLOLIVSA-N 1 0 201.335 1.601 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1[C@@H]1CCSC1 ZINC000306651531 361856873 /nfs/dbraw/zinc/85/68/73/361856873.db2.gz GBKFMEUDQXPVFU-OPRDCNLKSA-N 1 0 201.335 1.601 10 0 BDAERO Cc1cccc(CC[N@@H+]2CC[C@@H](CCO)C2)n1 ZINC000399717661 342741272 /nfs/dbraw/zinc/74/12/72/342741272.db2.gz KCZDNLRKLOVBEH-ZDUSSCGKSA-N 1 0 234.343 1.637 10 0 BDAERO C[NH+](C)CCN1C(=O)CC2(CCCC2)CC1=O ZINC000004228987 342744903 /nfs/dbraw/zinc/74/49/03/342744903.db2.gz XKYGRTDOTKUKBK-UHFFFAOYSA-N 1 0 238.331 1.257 10 0 BDAERO CCC(CC)NC(=O)[C@H](C)N(CC)CCC[NH3+] ZINC000036731820 168382825 /nfs/dbraw/zinc/38/28/25/168382825.db2.gz KURDVKRNEMROPW-NSHDSACASA-N 1 0 243.395 1.350 10 0 BDAERO CCC(CC)NC(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000051792034 168384545 /nfs/dbraw/zinc/38/45/45/168384545.db2.gz VWHXXTSNMRQPJJ-KOLCDFICSA-N 1 0 212.337 1.679 10 0 BDAERO [NH3+]Cc1cnc(N2CCCCCC2)s1 ZINC000054864300 398284110 /nfs/dbraw/zinc/28/41/10/398284110.db2.gz ZPVVSNBSVWKRQY-UHFFFAOYSA-N 1 0 211.334 1.982 10 0 BDAERO CC(C)([NH3+])COc1noc2ccccc21 ZINC000145726997 342761925 /nfs/dbraw/zinc/76/19/25/342761925.db2.gz STSDMMQJULFEKR-UHFFFAOYSA-N 1 0 206.245 1.944 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](COc2ccccc2)OC1 ZINC000146006414 342764227 /nfs/dbraw/zinc/76/42/27/342764227.db2.gz KCBYMILXUKIHQJ-YPMHNXCESA-N 1 0 221.300 1.819 10 0 BDAERO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000147163478 342774010 /nfs/dbraw/zinc/77/40/10/342774010.db2.gz AQGMJDQOLUGZPC-CYBMUJFWSA-N 1 0 247.298 1.785 10 0 BDAERO C[C@@H]1CN(Cc2ncc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631838456 398285069 /nfs/dbraw/zinc/28/50/69/398285069.db2.gz OSVOBNAYOXSGMA-SFYZADRCSA-N 1 0 245.779 1.823 10 0 BDAERO CCNC(=O)Nc1cc2cccc(N)c2cn1 ZINC000149259833 342793270 /nfs/dbraw/zinc/79/32/70/342793270.db2.gz JPFWMCYCMKSCMW-UHFFFAOYSA-N 1 0 230.271 1.958 10 0 BDAERO CCC(CC)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000026513310 168390964 /nfs/dbraw/zinc/39/09/64/168390964.db2.gz FKNRJQJZCKCAIJ-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2cncnc2)cn1 ZINC000188416007 538978558 /nfs/dbraw/zinc/97/85/58/538978558.db2.gz HKPPUYVICHWFKT-CYBMUJFWSA-N 1 0 243.314 1.338 10 0 BDAERO c1cn(C[C@H]2CCC[N@@H+]2CC2=CCCOC2)cn1 ZINC000188413908 538978863 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/nfs/dbraw/zinc/94/12/41/361941241.db2.gz PBWVVNODMHDIBV-UHFFFAOYSA-N 1 0 217.725 1.830 10 0 BDAERO COCc1nc(C[NH2+]CCCCCO)cs1 ZINC000381556640 539003809 /nfs/dbraw/zinc/00/38/09/539003809.db2.gz PGYGFPCSZSHHAM-UHFFFAOYSA-N 1 0 244.360 1.542 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)no1 ZINC000381716565 539006532 /nfs/dbraw/zinc/00/65/32/539006532.db2.gz LFWIXZBQXGVPKG-DCAQKATOSA-N 1 0 224.304 1.937 10 0 BDAERO C[C@H]1CC[C@@H](NC(=[NH2+])NCc2ccccc2)CO1 ZINC000401531051 342835864 /nfs/dbraw/zinc/83/58/64/342835864.db2.gz WEODNRSNFUIKSY-WCQYABFASA-N 1 0 247.342 1.868 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)CCCCO)c1 ZINC000381348279 538998790 /nfs/dbraw/zinc/99/87/90/538998790.db2.gz ZSSVNVWBODDBJQ-LBPRGKRZSA-N 1 0 225.336 1.332 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CN(CC)CCO1 ZINC000381362692 538999550 /nfs/dbraw/zinc/99/95/50/538999550.db2.gz FZTBUTXFNHBTGS-AGIUHOORSA-N 1 0 226.364 1.485 10 0 BDAERO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC000381396862 538999727 /nfs/dbraw/zinc/99/97/27/538999727.db2.gz OZNYWQYGCODELT-ZYHUDNBSSA-N 1 0 224.348 1.823 10 0 BDAERO CC[C@@H]1C[C@@]2(CCO1)[NH2+]C[C@@H](C)S2 ZINC000226584251 342842032 /nfs/dbraw/zinc/84/20/32/342842032.db2.gz RIZWZOYSNDOTLR-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000390474276 539021968 /nfs/dbraw/zinc/02/19/68/539021968.db2.gz IKHDZYNUFZCMAY-RYUDHWBXSA-N 1 0 226.364 1.784 10 0 BDAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CSC1 ZINC000389202014 539015728 /nfs/dbraw/zinc/01/57/28/539015728.db2.gz DUPYVFVELYPUGI-GXSJLCMTSA-N 1 0 215.362 1.753 10 0 BDAERO CSC[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000157739068 342846604 /nfs/dbraw/zinc/84/66/04/342846604.db2.gz VUGVRXGDAKCWAQ-IDKOKCKLSA-N 1 0 230.377 1.372 10 0 BDAERO CC(=O)[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000042462660 362001841 /nfs/dbraw/zinc/00/18/41/362001841.db2.gz OWVJPHRWWAVZSF-SNVBAGLBSA-N 1 0 212.337 1.380 10 0 BDAERO C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)C[NH3+] ZINC000309445743 398302652 /nfs/dbraw/zinc/30/26/52/398302652.db2.gz LFZUTIKATQNVBI-PSASIEDQSA-N 1 0 224.329 1.411 10 0 BDAERO C[C@H]1C[NH2+]C[C@](O)(C(F)(F)Br)C1 ZINC000401641027 342865217 /nfs/dbraw/zinc/86/52/17/342865217.db2.gz HQVKRHVIPRXYBV-RITPCOANSA-N 1 0 244.079 1.335 10 0 BDAERO [NH3+][C@H]1CSC[C@@H]1Cc1ccc(O)cc1 ZINC000134577953 342869747 /nfs/dbraw/zinc/86/97/47/342869747.db2.gz PORYHRHZEXUYAN-ONGXEEELSA-N 1 0 209.314 1.625 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2CCO[C@@H]2C)S1 ZINC000134578543 342869801 /nfs/dbraw/zinc/86/98/01/342869801.db2.gz PPWMQRACXXKCED-BWZBUEFSSA-N 1 0 200.307 1.245 10 0 BDAERO COc1ccc([C@@H]([NH3+])Cn2ccnc2C)cc1 ZINC000038808942 342878327 /nfs/dbraw/zinc/87/83/27/342878327.db2.gz HFIZXPFMMUMEOK-ZDUSSCGKSA-N 1 0 231.299 1.900 10 0 BDAERO NC(=S)CC[N@@H+]1CC[C@H]2CCCC[C@@H]21 ZINC000134821309 342893768 /nfs/dbraw/zinc/89/37/68/342893768.db2.gz WLCIUUHDDUFLKF-ZJUUUORDSA-N 1 0 212.362 1.927 10 0 BDAERO CNc1ccc(Br)cc1C(N)=[NH2+] ZINC000165273520 342895569 /nfs/dbraw/zinc/89/55/69/342895569.db2.gz QFALHASPEKVODR-UHFFFAOYSA-N 1 0 228.093 1.775 10 0 BDAERO c1cnc2cccc([C@@H]3C[NH2+]CCN3)c2c1 ZINC000309152069 342897595 /nfs/dbraw/zinc/89/75/95/342897595.db2.gz JMVVKNSJGAFLTD-ZDUSSCGKSA-N 1 0 213.284 1.469 10 0 BDAERO COC(=O)c1cccc(N2CCC([NH3+])CC2)c1 ZINC000084528587 398320963 /nfs/dbraw/zinc/32/09/63/398320963.db2.gz DDQONMGSYVCWQU-UHFFFAOYSA-N 1 0 234.299 1.401 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC000233000242 342891383 /nfs/dbraw/zinc/89/13/83/342891383.db2.gz BPGGLTQOFPVSMG-QWHCGFSZSA-N 1 0 245.363 1.180 10 0 BDAERO CSCc1noc([C@@H]2CSC[C@H]2[NH3+])n1 ZINC000134805579 342892737 /nfs/dbraw/zinc/89/27/37/342892737.db2.gz NWMLRPXURADDLB-PHDIDXHHSA-N 1 0 231.346 1.090 10 0 BDAERO [NH3+][C@@H]1COc2c(cccc2C(F)(F)F)C1 ZINC000016083019 342905808 /nfs/dbraw/zinc/90/58/08/342905808.db2.gz WVRWRERVOAUSMS-ZETCQYMHSA-N 1 0 217.190 1.968 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)Cc2ccccc2)C1 ZINC000226596531 342900576 /nfs/dbraw/zinc/90/05/76/342900576.db2.gz LOVOALSPQGDQNE-NWDGAFQWSA-N 1 0 203.285 1.926 10 0 BDAERO [NH3+][C@@H](CO)c1cccc(OC(F)F)c1 ZINC000036949481 342914609 /nfs/dbraw/zinc/91/46/09/342914609.db2.gz ZNHFZWLHNLDZMJ-QMMMGPOBSA-N 1 0 203.188 1.280 10 0 BDAERO CCCCC[N@@H+]1CCC(O)=C(C(=O)OC)C1 ZINC000058444205 398324594 /nfs/dbraw/zinc/32/45/94/398324594.db2.gz RCWOKLFDBSTNOY-SNVBAGLBSA-N 1 0 227.304 1.241 10 0 BDAERO Nc1n[nH]c2ncc(-c3ccc(C[NH3+])cc3)cc12 ZINC000116592474 342929513 /nfs/dbraw/zinc/92/95/13/342929513.db2.gz UCTPFUQJXPGTRM-UHFFFAOYSA-N 1 0 239.282 1.666 10 0 BDAERO C[C@H]1C[NH2+]CCN1[C@@H]1CSC1(C)C ZINC000306834881 398326516 /nfs/dbraw/zinc/32/65/16/398326516.db2.gz RXHVSNDEQJUHRJ-DTWKUNHWSA-N 1 0 200.351 1.174 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038096929 398336027 /nfs/dbraw/zinc/33/60/27/398336027.db2.gz DRXXKJXHZLUHOA-VWYCJHECSA-N 1 0 228.336 1.045 10 0 BDAERO CC1(CCNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000648174246 398337224 /nfs/dbraw/zinc/33/72/24/398337224.db2.gz VTIWPGPWNMPGAL-MNOVXSKESA-N 1 0 224.348 1.668 10 0 BDAERO O=C(NC[C@@H]1Cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000037566076 398331878 /nfs/dbraw/zinc/33/18/78/398331878.db2.gz VCLFWWIXIDVQMA-STQMWFEESA-N 1 0 244.338 1.442 10 0 BDAERO C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)[C@@H]1CCCO1 ZINC000392639639 398334310 /nfs/dbraw/zinc/33/43/10/398334310.db2.gz OGULNNFWGGMGON-KOLCDFICSA-N 1 0 222.288 1.444 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccnc1 ZINC000175330567 346894588 /nfs/dbraw/zinc/89/45/88/346894588.db2.gz UWLVJWUWQZPAJN-AWEZNQCLSA-N 1 0 233.359 1.998 10 0 BDAERO Cc1ccc(C)c(C[C@H](O)C[NH2+]C2CC2)c1 ZINC000071521574 178476824 /nfs/dbraw/zinc/47/68/24/178476824.db2.gz PDKFKTNESMRPTG-AWEZNQCLSA-N 1 0 219.328 1.959 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@@H]1[NH3+] ZINC000235338136 343011003 /nfs/dbraw/zinc/01/10/03/343011003.db2.gz ROVZVXHGSCWCGY-MXWKQRLJSA-N 1 0 208.305 1.148 10 0 BDAERO Fc1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000045946215 343013065 /nfs/dbraw/zinc/01/30/65/343013065.db2.gz VSVBRMHEELXHMQ-UHFFFAOYSA-N 1 0 219.263 1.881 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC(C)(C)C(C)C ZINC000309089475 259342125 /nfs/dbraw/zinc/34/21/25/259342125.db2.gz ANFUZFZWVSKPHE-VIFPVBQESA-N 1 0 200.326 1.665 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccccn1 ZINC000176994614 346920128 /nfs/dbraw/zinc/92/01/28/346920128.db2.gz COIALJDBKDHOLU-LBPRGKRZSA-N 1 0 247.342 1.638 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(OC)CCOC1 ZINC000638696973 352535057 /nfs/dbraw/zinc/53/50/57/352535057.db2.gz IANIEGGYNUCQBK-WOPDTQHZSA-N 1 0 213.321 1.570 10 0 BDAERO CCc1cnc(CN[C@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400513634 529654164 /nfs/dbraw/zinc/65/41/64/529654164.db2.gz GBCGTUMWZPFNTD-NXEZZACHSA-N 1 0 239.388 1.793 10 0 BDAERO C[C@H]1CN(C(=O)CC2=CCCCC2)C[C@@H]1[NH3+] ZINC000235651977 343054893 /nfs/dbraw/zinc/05/48/93/343054893.db2.gz HPNZQDOTNIRWCR-JQWIXIFHSA-N 1 0 222.332 1.683 10 0 BDAERO CCC[C@H]([NH3+])c1cncc(S(C)(=O)=O)c1 ZINC000118809497 343057332 /nfs/dbraw/zinc/05/73/32/343057332.db2.gz BHKICGQTNGRXOL-JTQLQIEISA-N 1 0 228.317 1.285 10 0 BDAERO CC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043426369 343067021 /nfs/dbraw/zinc/06/70/21/343067021.db2.gz GUXMJDIBNNZLCA-NWDGAFQWSA-N 1 0 211.305 1.609 10 0 BDAERO N[C@H](C[NH3+])c1ccc(O)c2ccccc21 ZINC000072200595 343069042 /nfs/dbraw/zinc/06/90/42/343069042.db2.gz CNYKADRZSFKWSN-LLVKDONJSA-N 1 0 202.257 1.504 10 0 BDAERO CC(C)=CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917378 187230374 /nfs/dbraw/zinc/23/03/74/187230374.db2.gz MCKQBSRXHJEFKW-OLZOCXBDSA-N 1 0 236.359 1.943 10 0 BDAERO [NH3+]Cc1ccc(C(F)(F)Br)nc1 ZINC000584880175 343080349 /nfs/dbraw/zinc/08/03/49/343080349.db2.gz DVZKAOVLJPLEDZ-UHFFFAOYSA-N 1 0 237.047 1.985 10 0 BDAERO CC[C@]1([NH+]2CCNCC2)CCO[C@H](C)C1 ZINC000584882489 343084618 /nfs/dbraw/zinc/08/46/18/343084618.db2.gz MFUIFTJPCZHXDD-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CC(C)(CO)S[C@@H]1CCC[C@H]([NH3+])C1 ZINC000306668817 362027535 /nfs/dbraw/zinc/02/75/35/362027535.db2.gz GEQWIPPISPLIMS-DTWKUNHWSA-N 1 0 203.351 1.760 10 0 BDAERO CON(C)C(=O)C[C@@H](C[NH3+])C1CCCCCC1 ZINC000584883186 343085767 /nfs/dbraw/zinc/08/57/67/343085767.db2.gz HQUROYKUWPNUKQ-LBPRGKRZSA-N 1 0 242.363 1.942 10 0 BDAERO CC[C@@](O)(C[C@@H](O)C[NH2+]C)C(C)(C)C ZINC000584883014 343086042 /nfs/dbraw/zinc/08/60/42/343086042.db2.gz DSPXOHGARNAUMG-MWLCHTKSSA-N 1 0 203.326 1.144 10 0 BDAERO CC[NH2+]C[C@H](O)C[C@](C)(O)C1CCCCC1 ZINC000584883478 343086228 /nfs/dbraw/zinc/08/62/28/343086228.db2.gz PGILNEANGNCZHI-OLZOCXBDSA-N 1 0 229.364 1.678 10 0 BDAERO CC[NH2+]Cc1ncc(C(=O)OC)s1 ZINC000259933054 343076777 /nfs/dbraw/zinc/07/67/77/343076777.db2.gz DHQAQJZUROSYHL-UHFFFAOYSA-N 1 0 200.263 1.039 10 0 BDAERO c1nnc(SC[C@@H]2CCC[NH2+]2)s1 ZINC000043497186 343092025 /nfs/dbraw/zinc/09/20/25/343092025.db2.gz FKTMZXLCUJOJFI-LURJTMIESA-N 1 0 201.320 1.382 10 0 BDAERO c1coc(CCNC2=[NH+]CCCS2)c1 ZINC000042592146 362011823 /nfs/dbraw/zinc/01/18/23/362011823.db2.gz VONBCZUETDDLSZ-UHFFFAOYSA-N 1 0 210.302 1.905 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@@H]1CCOC1 ZINC000336706758 187231653 /nfs/dbraw/zinc/23/16/53/187231653.db2.gz RNMVMZSGTFYFBM-GHMZBOCLSA-N 1 0 215.337 1.410 10 0 BDAERO CCOC(OCC)C(=O)C[C@H](C)C[NH+](C)C ZINC000043503954 343100046 /nfs/dbraw/zinc/10/00/46/343100046.db2.gz FVLMAEFSTBWXLZ-JTQLQIEISA-N 1 0 231.336 1.542 10 0 BDAERO CC(C)(C)OC(=O)[C@@H](O)[C@H]1CCCC[NH2+]C1 ZINC000142602209 343110701 /nfs/dbraw/zinc/11/07/01/343110701.db2.gz FSWQUDPKKLXQPM-UWVGGRQHSA-N 1 0 229.320 1.079 10 0 BDAERO c1ncc(N2CCC[NH2+]CC2)cc1C1CC1 ZINC000013703928 343101845 /nfs/dbraw/zinc/10/18/45/343101845.db2.gz FKQKJHZJNYTNGT-UHFFFAOYSA-N 1 0 217.316 1.759 10 0 BDAERO C[C@@H](Cc1c[nH]c2ccccc12)[NH2+]CCN ZINC000038702230 343107525 /nfs/dbraw/zinc/10/75/25/343107525.db2.gz KHBOONIVGUMXEA-JTQLQIEISA-N 1 0 217.316 1.647 10 0 BDAERO C[C@@H](C(N)=S)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043513902 343115452 /nfs/dbraw/zinc/11/54/52/343115452.db2.gz 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CCC[C@@H](O)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162554002 136277562 /nfs/dbraw/zinc/27/75/62/136277562.db2.gz SSBDLONNTJXCJY-RHYQMDGZSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H]1[C@@H](N)CCC[N@@H+]1C[Si](C)(C)C ZINC000401789852 343241410 /nfs/dbraw/zinc/24/14/10/343241410.db2.gz HSTDCYKXQIAYHB-UWVGGRQHSA-N 1 0 200.402 1.675 10 0 BDAERO CSc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1 ZINC000035679719 187249602 /nfs/dbraw/zinc/24/96/02/187249602.db2.gz DDLYIEYIJFIZPK-QMMMGPOBSA-N 1 0 222.313 1.473 10 0 BDAERO CC(C)(C[NH3+])c1ccc(NC(N)=O)cc1 ZINC000036818711 187249861 /nfs/dbraw/zinc/24/98/61/187249861.db2.gz QBIBQROPJRQLAO-UHFFFAOYSA-N 1 0 207.277 1.414 10 0 BDAERO Cn1nc(-c2ccc(F)cc2)cc1C[NH3+] ZINC000009280253 187249929 /nfs/dbraw/zinc/24/99/29/187249929.db2.gz QLMKUFLPNCEVKY-UHFFFAOYSA-N 1 0 205.236 1.685 10 0 BDAERO C[NH2+]Cc1ccc(C2=NC(C)(C)CO2)cc1 ZINC000238337954 343255768 /nfs/dbraw/zinc/25/57/68/343255768.db2.gz ZSPYAQDYQVBMAB-UHFFFAOYSA-N 1 0 218.300 1.961 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1C[NH3+] ZINC000207438651 343262345 /nfs/dbraw/zinc/26/23/45/343262345.db2.gz AMKQULRTFZIKRO-SFYZADRCSA-N 1 0 200.282 1.248 10 0 BDAERO CC(C)C[C@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842774 187252695 /nfs/dbraw/zinc/25/26/95/187252695.db2.gz FJORUOPYBUNIAA-VIFPVBQESA-N 1 0 219.288 1.902 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)[C@@H]1CC1(C)C ZINC000397564583 262926728 /nfs/dbraw/zinc/92/67/28/262926728.db2.gz CBHOKZLBIUBYPW-GARJFASQSA-N 1 0 224.348 1.679 10 0 BDAERO Clc1nc2cccnc2n2cncc12 ZINC000034541623 343274758 /nfs/dbraw/zinc/27/47/58/343274758.db2.gz RBCJCRIFWFBXNY-UHFFFAOYSA-N 1 0 204.620 1.931 10 0 BDAERO CCc1cc(C2=CCC[N@H+](C)C2)nn1C ZINC000034619368 343276279 /nfs/dbraw/zinc/27/62/79/343276279.db2.gz DNFDBWGXBINXQW-UHFFFAOYSA-N 1 0 205.305 1.701 10 0 BDAERO CC(C)c1nc([C@]2([NH3+])CCSC2)no1 ZINC000036763771 343323845 /nfs/dbraw/zinc/32/38/45/343323845.db2.gz ZUJDLTKCWVTEMG-VIFPVBQESA-N 1 0 213.306 1.484 10 0 BDAERO Cc1cc(C)n(Cc2cccc(C[NH3+])c2)c(=O)n1 ZINC000022165887 187254585 /nfs/dbraw/zinc/25/45/85/187254585.db2.gz YSCAWPHAZXARSA-UHFFFAOYSA-N 1 0 243.310 1.367 10 0 BDAERO CCNC(=O)CC[NH2+][C@@H](C)C1CCCC1 ZINC000069804518 343292031 /nfs/dbraw/zinc/29/20/31/343292031.db2.gz YRCGLCCNYKENJW-JTQLQIEISA-N 1 0 212.337 1.681 10 0 BDAERO CC(C)c1nsc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000213617253 343296259 /nfs/dbraw/zinc/29/62/59/343296259.db2.gz YURDWDDWOPTNNU-BDAKNGLRSA-N 1 0 238.360 1.460 10 0 BDAERO CC[C@@H](C)[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000020036671 187253421 /nfs/dbraw/zinc/25/34/21/187253421.db2.gz INDBMFBUQFFNIK-MRVPVSSYSA-N 1 0 224.279 1.813 10 0 BDAERO CCc1ccc([C@H]2OC[C@H](C[NH3+])O2)s1 ZINC000134994409 343367760 /nfs/dbraw/zinc/36/77/60/343367760.db2.gz JYEGMDJQFGIRDA-XVKPBYJWSA-N 1 0 213.302 1.683 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccsc1 ZINC000038048956 343367916 /nfs/dbraw/zinc/36/79/16/343367916.db2.gz PMQTUIYSUXVIJP-VHSXEESVSA-N 1 0 224.329 1.748 10 0 BDAERO Fc1cc(Cl)c([C@@H]2C[NH2+]CCN2)cc1F ZINC000038541273 343376812 /nfs/dbraw/zinc/37/68/12/343376812.db2.gz WLNYUWZWRDZQMZ-JTQLQIEISA-N 1 0 232.661 1.852 10 0 BDAERO C[NH2+]CCCc1nc2c(cccc2C(=O)OC)[nH]1 ZINC000147191943 343345909 /nfs/dbraw/zinc/34/59/09/343345909.db2.gz POBWMUWBWDHZEQ-UHFFFAOYSA-N 1 0 247.298 1.502 10 0 BDAERO Cc1ccc(OCCN2CC[NH+](C)CC2)c(N)c1 ZINC000031977691 187256917 /nfs/dbraw/zinc/25/69/17/187256917.db2.gz SQSXWDTWPFMEQP-UHFFFAOYSA-N 1 0 249.358 1.203 10 0 BDAERO COc1ccc(C[C@](C)(O)C[NH3+])cc1F ZINC000071518723 187260275 /nfs/dbraw/zinc/26/02/75/187260275.db2.gz UOQBBUDNFMFODE-NSHDSACASA-N 1 0 213.252 1.087 10 0 BDAERO Cc1cccc([C@@H]2C[C@]2(C[NH3+])CO)c1C ZINC000070500145 187259535 /nfs/dbraw/zinc/25/95/35/187259535.db2.gz GKGQJQLMQBWLOD-STQMWFEESA-N 1 0 205.301 1.728 10 0 BDAERO c1ccc(C2CC(N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000335641474 136308505 /nfs/dbraw/zinc/30/85/05/136308505.db2.gz GBIZCUVSSUBNPM-ROKHWSDSSA-N 1 0 216.328 1.884 10 0 BDAERO CC[C@]1(C)C(OC)=NN=C1C1CC[NH2+]CC1 ZINC000039102465 343384408 /nfs/dbraw/zinc/38/44/08/343384408.db2.gz APPHSVDHPOKCQD-LBPRGKRZSA-N 1 0 223.320 1.817 10 0 BDAERO COc1cccc(C2(O)CC[NH+](C)CC2)n1 ZINC000039119655 343385410 /nfs/dbraw/zinc/38/54/10/343385410.db2.gz AWBQYWBSZZWMOJ-UHFFFAOYSA-N 1 0 222.288 1.003 10 0 BDAERO Cc1c(C[NH2+]CC[C@H]2CC2(F)F)cnn1C ZINC000621378239 343386224 /nfs/dbraw/zinc/38/62/24/343386224.db2.gz QURWMFPRWMJSBW-JTQLQIEISA-N 1 0 229.274 1.863 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1ccc2c(c1)OCO2 ZINC000071424740 187260410 /nfs/dbraw/zinc/26/04/10/187260410.db2.gz VJJKHMWGBALDJX-SNVBAGLBSA-N 1 0 207.273 1.941 10 0 BDAERO [NH3+][C@@H]1c2cc(F)cc(F)c2CCC[C@@H]1O ZINC000039941553 343393797 /nfs/dbraw/zinc/39/37/97/343393797.db2.gz PJUJEWWDBGHFJX-WDEREUQCSA-N 1 0 213.227 1.662 10 0 BDAERO CCOC[C@H](C)[NH2+]Cc1ccnc(C)n1 ZINC000054790878 136372937 /nfs/dbraw/zinc/37/29/37/136372937.db2.gz QCNISVSSKUQZTB-VIFPVBQESA-N 1 0 209.293 1.300 10 0 BDAERO COC[C@H](C)C[NH2+]Cc1ccnc(C)n1 ZINC000054790891 136372999 /nfs/dbraw/zinc/37/29/99/136372999.db2.gz UWNARRYWOMQYAJ-SECBINFHSA-N 1 0 209.293 1.157 10 0 BDAERO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000042545295 343443233 /nfs/dbraw/zinc/44/32/33/343443233.db2.gz BJBKCVVGFIFJTQ-GHMZBOCLSA-N 1 0 214.353 1.484 10 0 BDAERO CCc1nc(C)cc(NC[C@H]([NH3+])CC)n1 ZINC000308924148 346941883 /nfs/dbraw/zinc/94/18/83/346941883.db2.gz LKSSCLXJANGGIN-SECBINFHSA-N 1 0 208.309 1.497 10 0 BDAERO COC(=O)[C@@H](C)Nc1ccc(N(C)C)cc1 ZINC000043627073 343479018 /nfs/dbraw/zinc/47/90/18/343479018.db2.gz HMMJTFGQCMGPEW-SECBINFHSA-N 1 0 222.288 1.726 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](C(F)F)C1 ZINC000616662002 343533971 /nfs/dbraw/zinc/53/39/71/343533971.db2.gz YDXTZMBDOAKZBT-MRVPVSSYSA-N 1 0 207.264 1.998 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1cc[nH]n1 ZINC000616669132 343534412 /nfs/dbraw/zinc/53/44/12/343534412.db2.gz PFSPIGNHOYMJBI-CQSZACIVSA-N 1 0 242.326 1.862 10 0 BDAERO CCn1nc(C[NH2+]C)c(-c2ccccc2)n1 ZINC000045944826 343535984 /nfs/dbraw/zinc/53/59/84/343535984.db2.gz RKCKIXSLBXRNBW-UHFFFAOYSA-N 1 0 216.288 1.684 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@H]1C(F)F ZINC000616679884 343536603 /nfs/dbraw/zinc/53/66/03/343536603.db2.gz ZVTLKVMDSVKAGE-NSHDSACASA-N 1 0 226.270 1.810 10 0 BDAERO c1cc2c(s1)[C@@]1(CC[N@H+]3CCC[C@@H]31)NCC2 ZINC000712513193 537786948 /nfs/dbraw/zinc/78/69/48/537786948.db2.gz QBBAOHYQNPOFLW-YPMHNXCESA-N 1 0 234.368 1.957 10 0 BDAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000624238001 343583522 /nfs/dbraw/zinc/58/35/22/343583522.db2.gz ILTGANVXUONIFR-ZOBORPQBSA-N 1 0 241.375 1.941 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000624238008 343584096 /nfs/dbraw/zinc/58/40/96/343584096.db2.gz IMXJBGOQZROJCM-RYUDHWBXSA-N 1 0 225.332 1.449 10 0 BDAERO CC(C)C[C@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000082377653 187265431 /nfs/dbraw/zinc/26/54/31/187265431.db2.gz KVYTXDWCOOJEQH-OLZOCXBDSA-N 1 0 207.317 1.963 10 0 BDAERO CC(=O)CCCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042438061 187265482 /nfs/dbraw/zinc/26/54/82/187265482.db2.gz BVYLBQLAAWFCFI-CMPLNLGQSA-N 1 0 240.347 1.332 10 0 BDAERO COc1ccc(N)cc1C[N@H+](CCO)C(C)C ZINC000042478165 187265609 /nfs/dbraw/zinc/26/56/09/187265609.db2.gz CSPNOQLRMPIBLK-UHFFFAOYSA-N 1 0 238.331 1.480 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000052395676 343600318 /nfs/dbraw/zinc/60/03/18/343600318.db2.gz LYGMAPCRMGHHQC-LLVKDONJSA-N 1 0 236.315 1.098 10 0 BDAERO C[NH+]1CCC([C@@H]2c3cc(N)ccc3NC2=O)CC1 ZINC000167712379 343604861 /nfs/dbraw/zinc/60/48/61/343604861.db2.gz GCGBTLLSJIMMPD-CYBMUJFWSA-N 1 0 245.326 1.646 10 0 BDAERO CC(C)CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087121728 343637711 /nfs/dbraw/zinc/63/77/11/343637711.db2.gz CYMLQZOVHYQQLB-WDEREUQCSA-N 1 0 212.337 1.537 10 0 BDAERO CC(C)CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087121734 343637752 /nfs/dbraw/zinc/63/77/52/343637752.db2.gz CYMLQZOVHYQQLB-QWRGUYRKSA-N 1 0 212.337 1.537 10 0 BDAERO COc1ccnc(N[C@H](C)CCC[NH3+])n1 ZINC000087362322 343645554 /nfs/dbraw/zinc/64/55/54/343645554.db2.gz QXNYSNVIIBJPJP-MRVPVSSYSA-N 1 0 210.281 1.025 10 0 BDAERO CC1(C)[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@H]2CCO[C@@H]21 ZINC000624258653 343624101 /nfs/dbraw/zinc/62/41/01/343624101.db2.gz PNLGMNYJVSLLIF-UTUOFQBUSA-N 1 0 248.326 1.690 10 0 BDAERO COC(OC)[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712587474 537795473 /nfs/dbraw/zinc/79/54/73/537795473.db2.gz LLAOMPXZGXPFEH-NSHDSACASA-N 1 0 227.329 1.728 10 0 BDAERO CC(C)OCC[NH2+]CC1CCOCC1 ZINC000082544675 133502342 /nfs/dbraw/zinc/50/23/42/133502342.db2.gz NWRGCAZKPNHNEX-UHFFFAOYSA-N 1 0 201.310 1.428 10 0 BDAERO CC(C)([NH3+])C(=O)N1CCC[C@H]1C1CCCC1 ZINC000045088395 187269264 /nfs/dbraw/zinc/26/92/64/187269264.db2.gz MPKPOJAFUAPOHP-NSHDSACASA-N 1 0 224.348 1.905 10 0 BDAERO Cc1ccc(C(=O)CC[N@H+](C)CCO)o1 ZINC000045393262 187269311 /nfs/dbraw/zinc/26/93/11/187269311.db2.gz VIDYTLSKEDLLFT-UHFFFAOYSA-N 1 0 211.261 1.085 10 0 BDAERO Cc1cccc(CCN2C[C@H]([NH3+])CC2=O)c1 ZINC000051670788 187271125 /nfs/dbraw/zinc/27/11/25/187271125.db2.gz CAGMXTCXJFJBQG-GFCCVEGCSA-N 1 0 218.300 1.097 10 0 BDAERO Cc1cccnc1C(=O)N(CCC[NH3+])CC(C)C ZINC000051790613 187271467 /nfs/dbraw/zinc/27/14/67/187271467.db2.gz ZRVZDFFBGVAIRI-UHFFFAOYSA-N 1 0 249.358 1.837 10 0 BDAERO Cc1cccc(CC(=O)N(C)C[C@H](C)C[NH3+])c1 ZINC000052126930 187271484 /nfs/dbraw/zinc/27/14/84/187271484.db2.gz SHGFBUMMEISKQN-GFCCVEGCSA-N 1 0 234.343 1.591 10 0 BDAERO CC(C)N(CCO)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000055127988 187272114 /nfs/dbraw/zinc/27/21/14/187272114.db2.gz LXGPCCLPIDZTBT-VXGBXAGGSA-N 1 0 242.363 1.123 10 0 BDAERO [NH3+]Cc1ccccc1OCc1ncccn1 ZINC000054458116 187272176 /nfs/dbraw/zinc/27/21/76/187272176.db2.gz CHVWFIUPRZYTMZ-UHFFFAOYSA-N 1 0 215.256 1.514 10 0 BDAERO CS[C@@H]1CC[C@H]([NH+]2CCC(=O)CC2)C1 ZINC000235121740 343748589 /nfs/dbraw/zinc/74/85/89/343748589.db2.gz GIWQZJIZYUDASM-GXSJLCMTSA-N 1 0 213.346 1.935 10 0 BDAERO CCCn1cnnc1C[C@H]([NH3+])c1ccccc1 ZINC000054497973 187272575 /nfs/dbraw/zinc/27/25/75/187272575.db2.gz BBWCKQKYDRGMNB-LBPRGKRZSA-N 1 0 230.315 1.931 10 0 BDAERO CNc1ccc(CN(C)CC[NH+]2CCCC2)cn1 ZINC000063053405 187274030 /nfs/dbraw/zinc/27/40/30/187274030.db2.gz WZZAVHQYSDNTNY-UHFFFAOYSA-N 1 0 248.374 1.651 10 0 BDAERO CC[NH2+][C@H](C)CNc1ccncc1Cl ZINC000387632273 346974779 /nfs/dbraw/zinc/97/47/79/346974779.db2.gz FWALQNISFWOQJS-MRVPVSSYSA-N 1 0 213.712 1.567 10 0 BDAERO CCn1nc(-c2ccncc2)cc1C[NH3+] ZINC000213486822 343792330 /nfs/dbraw/zinc/79/23/30/343792330.db2.gz OVIMBBXLSDJAGV-UHFFFAOYSA-N 1 0 202.261 1.424 10 0 BDAERO Cn1nc([C@@H]2CCCC[NH2+]2)c2c1CCC2 ZINC000214666074 343792456 /nfs/dbraw/zinc/79/24/56/343792456.db2.gz IMZMQIHJDUNKBN-JTQLQIEISA-N 1 0 205.305 1.723 10 0 BDAERO CCOC[C@@H]1C[N@H+](CCO)CC12CCCCC2 ZINC000409428311 343803008 /nfs/dbraw/zinc/80/30/08/343803008.db2.gz GFLIVOQXBRPARZ-ZDUSSCGKSA-N 1 0 241.375 1.898 10 0 BDAERO CC1(CF)CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000409426965 343799475 /nfs/dbraw/zinc/79/94/75/343799475.db2.gz DJSCHRRXODZUJY-LLVKDONJSA-N 1 0 242.338 1.727 10 0 BDAERO Clc1cnc2n1CCN(C1CC[NH2+]CC1)C2 ZINC000409427319 343800558 /nfs/dbraw/zinc/80/05/58/343800558.db2.gz DSFGVXUSSCTDKQ-UHFFFAOYSA-N 1 0 240.738 1.104 10 0 BDAERO CCCCC[N@@H+]1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409422025 343812209 /nfs/dbraw/zinc/81/22/09/343812209.db2.gz BQXYZOFUTPDURS-GHMZBOCLSA-N 1 0 229.320 1.032 10 0 BDAERO O=Cc1cn(C2CC[NH+](C3CCC3)CC2)nn1 ZINC000409424010 343816746 /nfs/dbraw/zinc/81/67/46/343816746.db2.gz DQXXHXMFPZRTJF-UHFFFAOYSA-N 1 0 234.303 1.280 10 0 BDAERO Cc1ccc2c(c1)CN(C(=O)[C@@H](C)[NH3+])CCO2 ZINC000409425619 343819713 /nfs/dbraw/zinc/81/97/13/343819713.db2.gz AYKISXAXFPRVDW-SNVBAGLBSA-N 1 0 234.299 1.063 10 0 BDAERO CCCn1cccc1C(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000071312522 187275338 /nfs/dbraw/zinc/27/53/38/187275338.db2.gz VGPFENCTECPFAT-LBPRGKRZSA-N 1 0 249.358 1.722 10 0 BDAERO O[C@@H]1CC2(C[NH2+]C2)Oc2ccc(Cl)cc21 ZINC000409432909 343827901 /nfs/dbraw/zinc/82/79/01/343827901.db2.gz POMSVICXJBQDGY-SECBINFHSA-N 1 0 225.675 1.498 10 0 BDAERO C[NH2+][C@H]1CCCN([C@@H](C)c2nccs2)C1 ZINC000070735277 187275417 /nfs/dbraw/zinc/27/54/17/187275417.db2.gz UCPBNLBEFASHNY-UWVGGRQHSA-N 1 0 225.361 1.888 10 0 BDAERO CC(C)([NH3+])COCC(=O)N1CCCCCC1 ZINC000070837033 187275542 /nfs/dbraw/zinc/27/55/42/187275542.db2.gz SCTABSFJZBKXSV-UHFFFAOYSA-N 1 0 228.336 1.143 10 0 BDAERO C[NH+](C)CCn1cc2ccc(N)cc2n1 ZINC000145573403 537818561 /nfs/dbraw/zinc/81/85/61/537818561.db2.gz BCBUVQIFCIDADE-UHFFFAOYSA-N 1 0 204.277 1.180 10 0 BDAERO [NH3+]Cc1nnn2c1CO[C@H](c1cccs1)C2 ZINC000409428547 343803798 /nfs/dbraw/zinc/80/37/98/343803798.db2.gz MZSNWVCSLAGDMG-VIFPVBQESA-N 1 0 236.300 1.070 10 0 BDAERO [NH3+]Cc1cn2c(n1)CO[C@H](c1ccccc1)C2 ZINC000409428571 343804188 /nfs/dbraw/zinc/80/41/88/343804188.db2.gz NELIYUDJKNVIDH-LBPRGKRZSA-N 1 0 229.283 1.613 10 0 BDAERO C[NH2+][C@H]1CCC(=O)N(C)c2ccsc21 ZINC000409430069 343807221 /nfs/dbraw/zinc/80/72/21/343807221.db2.gz DNKUFMWWOMEQKQ-ZETCQYMHSA-N 1 0 210.302 1.765 10 0 BDAERO O[C@H]1CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000409440114 343854466 /nfs/dbraw/zinc/85/44/66/343854466.db2.gz VVJBASKLKIHWHP-ZDUSSCGKSA-N 1 0 203.285 1.220 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@@H](CF)C1 ZINC000409433965 343831120 /nfs/dbraw/zinc/83/11/20/343831120.db2.gz ZJJZDLJNSWZTMN-QWRGUYRKSA-N 1 0 228.311 1.194 10 0 BDAERO CC[N@@H+]1C[C@@H]2CN[C@H](C(F)(F)F)[C@@H]2C1 ZINC000409433262 343832321 /nfs/dbraw/zinc/83/23/21/343832321.db2.gz ZMTLRDGESXQIHL-RNJXMRFFSA-N 1 0 208.227 1.088 10 0 BDAERO CCOC[C@@]1(C(F)(F)F)CCN(CC[NH3+])C1 ZINC000409435574 343834136 /nfs/dbraw/zinc/83/41/36/343834136.db2.gz VLMVHKFZILOEEA-SECBINFHSA-N 1 0 240.269 1.236 10 0 BDAERO COCc1ccc2c(c1)N(CCC[NH3+])CC2 ZINC000409436160 343837256 /nfs/dbraw/zinc/83/72/56/343837256.db2.gz YJNXIDIKXISZMQ-UHFFFAOYSA-N 1 0 220.316 1.544 10 0 BDAERO CC1(C)CN(c2ncccc2N)C[C@H]1CO ZINC000409436344 343838472 /nfs/dbraw/zinc/83/84/72/343838472.db2.gz ZKNXVQBJGHGMJI-VIFPVBQESA-N 1 0 221.304 1.119 10 0 BDAERO Nc1cc(-c2cccs2)nn1CC[NH3+] ZINC000409436813 343841165 /nfs/dbraw/zinc/84/11/65/343841165.db2.gz AWLWNIWJJDXQFY-UHFFFAOYSA-N 1 0 208.290 1.153 10 0 BDAERO CCn1cc(C(N)=[NH2+])c(-c2ccccc2)n1 ZINC000409436937 343841767 /nfs/dbraw/zinc/84/17/67/343841767.db2.gz CNPCKVXQJDUNAR-UHFFFAOYSA-N 1 0 214.272 1.854 10 0 BDAERO COc1ccc([C@H]2C[C@H](CO)C[N@@H+]2C)cc1 ZINC000409438984 343846122 /nfs/dbraw/zinc/84/61/22/343846122.db2.gz FKCYFHAVLYRXJN-GXFFZTMASA-N 1 0 221.300 1.680 10 0 BDAERO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]C[C@H]1CCCO1 ZINC000071792718 187276783 /nfs/dbraw/zinc/27/67/83/187276783.db2.gz GKTMCVSDINGPBO-YVECIDJPSA-N 1 0 207.317 1.967 10 0 BDAERO [NH3+]CCn1nc(-c2cccnc2)c2c1CCC2 ZINC000409439538 343847552 /nfs/dbraw/zinc/84/75/52/343847552.db2.gz POJPOCDSSFAWMI-UHFFFAOYSA-N 1 0 228.299 1.393 10 0 BDAERO [NH3+]Cc1cncc(N2CCCCC2=O)c1 ZINC000409437664 343848452 /nfs/dbraw/zinc/84/84/52/343848452.db2.gz ARNGUZGXHQEPLY-UHFFFAOYSA-N 1 0 205.261 1.057 10 0 BDAERO Cc1cc(-c2ccsc2)nn1CC(N)=[NH2+] ZINC000409437941 343849486 /nfs/dbraw/zinc/84/94/86/343849486.db2.gz BEDKCLUPZGLRHA-UHFFFAOYSA-N 1 0 220.301 1.856 10 0 BDAERO Cc1[nH]nc(C(F)(F)F)c1CN1CC[NH2+]CC1 ZINC000409438340 343850403 /nfs/dbraw/zinc/85/04/03/343850403.db2.gz CVSSUNBEMWCGMC-UHFFFAOYSA-N 1 0 248.252 1.142 10 0 BDAERO COc1cccc([C@H]2C[C@@H](CO)C[N@@H+]2C)c1 ZINC000409440628 343852852 /nfs/dbraw/zinc/85/28/52/343852852.db2.gz LRKOVRPDELWYFR-ZWNOBZJWSA-N 1 0 221.300 1.680 10 0 BDAERO BrC1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000073156004 187277331 /nfs/dbraw/zinc/27/73/31/187277331.db2.gz QWWVXMVBBFVZLO-ZETCQYMHSA-N 1 0 219.082 1.237 10 0 BDAERO CCc1cc(-c2ccncc2)nn1CC[NH3+] ZINC000409442264 343857992 /nfs/dbraw/zinc/85/79/92/343857992.db2.gz YGVYQUFQDUTWOP-UHFFFAOYSA-N 1 0 216.288 1.466 10 0 BDAERO CN(C)[C@@H](C[NH3+])c1ccc(N2CCCC2)o1 ZINC000409442466 343858666 /nfs/dbraw/zinc/85/86/66/343858666.db2.gz VLQKDZZMVFZMOM-JTQLQIEISA-N 1 0 223.320 1.441 10 0 BDAERO C[N@@H+]1C[C@H](CO)C[C@@H]1c1cccc(F)c1 ZINC000409441605 343860207 /nfs/dbraw/zinc/86/02/07/343860207.db2.gz QAMGOMSTKASCEB-BXKDBHETSA-N 1 0 209.264 1.811 10 0 BDAERO NC(=[NH2+])c1cc(-c2ccccn2)nn1CCF ZINC000409443762 343862833 /nfs/dbraw/zinc/86/28/33/343862833.db2.gz TXYBQMUDPYFYFQ-UHFFFAOYSA-N 1 0 233.250 1.199 10 0 BDAERO CC(C)Cn1nc([C@@H]2CCC[NH2+]C2)cc1CO ZINC000409442793 343864385 /nfs/dbraw/zinc/86/43/85/343864385.db2.gz AQJZIMJWFGHFCH-LLVKDONJSA-N 1 0 237.347 1.498 10 0 BDAERO c1ccc2c(c1)OC[C@H]1C[NH2+]C[C@H]1CO2 ZINC000409442766 343864520 /nfs/dbraw/zinc/86/45/20/343864520.db2.gz ADUQEDMVOUMYQH-AOOOYVTPSA-N 1 0 205.257 1.293 10 0 BDAERO OCCC[N@@H+]1CC[C@]2(CCSC2)C1 ZINC000409442946 343865127 /nfs/dbraw/zinc/86/51/27/343865127.db2.gz DNYPMSBHIDRUDR-JTQLQIEISA-N 1 0 201.335 1.198 10 0 BDAERO NC(=[NH2+])c1cc(-c2cccs2)nn1CCF ZINC000409442959 343865287 /nfs/dbraw/zinc/86/52/87/343865287.db2.gz DQRVLSUTOGZTKC-UHFFFAOYSA-N 1 0 238.291 1.865 10 0 BDAERO CCn1nc([C@H]2CCC[NH2+]C2)cc1C(=O)OC ZINC000409443032 343865442 /nfs/dbraw/zinc/86/54/42/343865442.db2.gz FSIOLVNVRUOZOA-VIFPVBQESA-N 1 0 237.303 1.157 10 0 BDAERO Cn1ncc(Br)c1[C@H]1CCC[NH2+]1 ZINC000075868465 187278150 /nfs/dbraw/zinc/27/81/50/187278150.db2.gz YHKUNTOWPWCDJM-SSDOTTSWSA-N 1 0 230.109 1.607 10 0 BDAERO CC(C)=C[C@H]([NH3+])[C@@H]1CSCCN1C ZINC000234349674 343943809 /nfs/dbraw/zinc/94/38/09/343943809.db2.gz LPBWCXJZKIVLCD-UWVGGRQHSA-N 1 0 200.351 1.327 10 0 BDAERO C[C@H](CC[NH3+])c1c(Br)nnn1C ZINC000216866703 343924672 /nfs/dbraw/zinc/92/46/72/343924672.db2.gz FJBXSYCNPWSABO-RXMQYKEDSA-N 1 0 233.113 1.030 10 0 BDAERO C[C@H](C(N)=[NH2+])n1cc(C(F)(F)F)cn1 ZINC000070019092 343946892 /nfs/dbraw/zinc/94/68/92/343946892.db2.gz QWPNHKYADRLYPB-SCSAIBSYSA-N 1 0 206.171 1.399 10 0 BDAERO CN(C)c1ccc(CCOCC[NH3+])cc1 ZINC000077302134 187280054 /nfs/dbraw/zinc/28/00/54/187280054.db2.gz XAKHXVXSUHWKLB-UHFFFAOYSA-N 1 0 208.305 1.270 10 0 BDAERO Cc1ccc2c(c1)N(C(=O)C1C[NH2+]C1)C[C@@H](C)O2 ZINC000335894794 344045012 /nfs/dbraw/zinc/04/50/12/344045012.db2.gz PKBMHJSKQVWMGS-SNVBAGLBSA-N 1 0 246.310 1.328 10 0 BDAERO Clc1cccnc1SC1C[NH2+]C1 ZINC000070615588 343952865 /nfs/dbraw/zinc/95/28/65/343952865.db2.gz DRVPRGPICBMQMD-UHFFFAOYSA-N 1 0 200.694 1.799 10 0 BDAERO O=C(c1cc(F)ccc1F)[C@H]1CCC[NH2+]1 ZINC000036158747 343953600 /nfs/dbraw/zinc/95/36/00/343953600.db2.gz HSJICOUDPCMEMK-SNVBAGLBSA-N 1 0 211.211 1.900 10 0 BDAERO C[NH2+]C[C@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000070798750 343955810 /nfs/dbraw/zinc/95/58/10/343955810.db2.gz PJJRKOUAINJPLD-SNVBAGLBSA-N 1 0 214.378 1.423 10 0 BDAERO CC(C)[C@@H]1CN(Cc2cccnc2)CC[NH2+]1 ZINC000082925348 187283438 /nfs/dbraw/zinc/28/34/38/187283438.db2.gz YRBIEZLSCCJXEB-ZDUSSCGKSA-N 1 0 219.332 1.511 10 0 BDAERO CCCN1CC[C@H]([NH3+])[C@@H]1c1nccs1 ZINC000161712749 344072835 /nfs/dbraw/zinc/07/28/35/344072835.db2.gz BDURQKKSNAKJBW-DTWKUNHWSA-N 1 0 211.334 1.627 10 0 BDAERO CC(C)N(C[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000095088180 187286919 /nfs/dbraw/zinc/28/69/19/187286919.db2.gz YGYDUTIXWNMDJJ-QMMMGPOBSA-N 1 0 210.243 1.969 10 0 BDAERO CSc1nccc(NCC2CC[NH2+]CC2)n1 ZINC000095071865 187287273 /nfs/dbraw/zinc/28/72/73/187287273.db2.gz IQLUHCPFSJLDES-UHFFFAOYSA-N 1 0 238.360 1.610 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)CC1(C)COC1 ZINC000625792840 344076629 /nfs/dbraw/zinc/07/66/29/344076629.db2.gz ZSKKJYYTAVZEQN-NSHDSACASA-N 1 0 201.310 1.116 10 0 BDAERO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(C)(C)CO ZINC000051293287 347026940 /nfs/dbraw/zinc/02/69/40/347026940.db2.gz XKHODVMOGSVAIY-ZJUUUORDSA-N 1 0 201.310 1.114 10 0 BDAERO C[C@@H]1C[N@H+](CC(C)(C)CO)[C@H](C)CO1 ZINC000051293285 347027232 /nfs/dbraw/zinc/02/72/32/347027232.db2.gz XKHODVMOGSVAIY-NXEZZACHSA-N 1 0 201.310 1.114 10 0 BDAERO COc1cc(C)c(OC)c2c1C[C@@H]([NH3+])C=C2 ZINC000006069895 344117567 /nfs/dbraw/zinc/11/75/67/344117567.db2.gz KDQRIFZRBIPQEW-VIFPVBQESA-N 1 0 219.284 1.909 10 0 BDAERO O=C(C1CCCC1)N1CCC2(C[NH2+]C2)CC1 ZINC000616570027 344172208 /nfs/dbraw/zinc/17/22/08/344172208.db2.gz DXHKYDJSIUPGKZ-UHFFFAOYSA-N 1 0 222.332 1.389 10 0 BDAERO Clc1cc(N[C@@H]2CC[NH2+]C2)c(Cl)nn1 ZINC000127299694 344124769 /nfs/dbraw/zinc/12/47/69/344124769.db2.gz ARTWZBMYTJPAGV-RXMQYKEDSA-N 1 0 233.102 1.557 10 0 BDAERO O=C(NC(C1CC1)C1CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736410 344128003 /nfs/dbraw/zinc/12/80/03/344128003.db2.gz LPWGCTOVUGYKEQ-WFASDCNBSA-N 1 0 248.370 1.681 10 0 BDAERO C[C@@H]([NH3+])CCNc1cc(Cl)nnc1Cl ZINC000127303065 344128681 /nfs/dbraw/zinc/12/86/81/344128681.db2.gz MALNWKPMWCZLNY-RXMQYKEDSA-N 1 0 235.118 1.933 10 0 BDAERO CC(C)c1nccc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000212411239 344133194 /nfs/dbraw/zinc/13/31/94/344133194.db2.gz OVMHZYCAHNYCAB-JTQLQIEISA-N 1 0 220.320 1.385 10 0 BDAERO COc1ccc(CN2C[C@H]([NH3+])C3(CC3)C2=O)cc1 ZINC000096028575 187288934 /nfs/dbraw/zinc/28/89/34/187288934.db2.gz NLRCBCRYOXXWKD-LBPRGKRZSA-N 1 0 246.310 1.145 10 0 BDAERO [NH3+]CC[C@@H]1C(=O)Nc2c1c(F)ccc2F ZINC000135306036 344158378 /nfs/dbraw/zinc/15/83/78/344158378.db2.gz VNMFUBXMCOPCOU-YFKPBYRVSA-N 1 0 212.199 1.349 10 0 BDAERO CC(C)[C@H](C)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000236627808 187289966 /nfs/dbraw/zinc/28/99/66/187289966.db2.gz PNGVHDHNGRNKGU-LLVKDONJSA-N 1 0 226.364 1.879 10 0 BDAERO COCCC[C@H](C)[NH2+]CC1CC(O)C1 ZINC000395357268 344240539 /nfs/dbraw/zinc/24/05/39/344240539.db2.gz CCMTWAWWMBTVRL-WHXUTIOJSA-N 1 0 201.310 1.162 10 0 BDAERO C/C=C(/C)C(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616571577 344180364 /nfs/dbraw/zinc/18/03/64/344180364.db2.gz MDHDGXPHVRHTGO-WBJUDYSNSA-N 1 0 208.305 1.306 10 0 BDAERO CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000616571907 344181389 /nfs/dbraw/zinc/18/13/89/344181389.db2.gz OKKAMQJFZGHDNT-RQJHMYQMSA-N 1 0 224.226 1.135 10 0 BDAERO COC1CC(NC2=[NH+]C[C@H](C)S2)C1 ZINC000234675597 344189525 /nfs/dbraw/zinc/18/95/25/344189525.db2.gz DXPMCSMEDVHBOS-KKMMWDRVSA-N 1 0 200.307 1.245 10 0 BDAERO Cc1ccc(C[C@@H](O)C2CC[NH2+]CC2)cc1 ZINC000041232894 178648617 /nfs/dbraw/zinc/64/86/17/178648617.db2.gz GNZDQMKIKVOUCN-CQSZACIVSA-N 1 0 219.328 1.898 10 0 BDAERO C[C@H]1C[N@H+](C[C@@]2(C)CCCS2)CCN1 ZINC000227402220 344255349 /nfs/dbraw/zinc/25/53/49/344255349.db2.gz DKTPZMUCRYGAQD-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO Cc1c(O[C@@H](C)C2=[NH+]CCN2)cccc1N(C)C ZINC000027656085 344283981 /nfs/dbraw/zinc/28/39/81/344283981.db2.gz MJIPBMLKTQAHCQ-NSHDSACASA-N 1 0 247.342 1.830 10 0 BDAERO C[NH2+]Cc1cnn(CCOC(C)(C)C)c1 ZINC000133519600 344319515 /nfs/dbraw/zinc/31/95/15/344319515.db2.gz UWZYAMSAWNZOLW-UHFFFAOYSA-N 1 0 211.309 1.418 10 0 BDAERO COc1ncc(Cl)c(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385185384 344366035 /nfs/dbraw/zinc/36/60/35/344366035.db2.gz KODUZQWDPQXXLW-NKWVEPMBSA-N 1 0 242.710 1.065 10 0 BDAERO Cc1nc2ccccc2nc1N1C[C@H]([NH3+])C[C@@H]1C ZINC000385170611 344360306 /nfs/dbraw/zinc/36/03/06/344360306.db2.gz FQPYCPROQGPYBM-GXSJLCMTSA-N 1 0 242.326 1.864 10 0 BDAERO CN(C)[C@@H]1C[NH2+]C[C@@H]1Cc1ccccc1 ZINC000142854891 344374688 /nfs/dbraw/zinc/37/46/88/344374688.db2.gz GWHHWCKWPIVWJM-QWHCGFSZSA-N 1 0 204.317 1.379 10 0 BDAERO C[C@@H](c1ccccn1)N(C)C[C@H]1CCC[NH2+]1 ZINC000247721707 344385653 /nfs/dbraw/zinc/38/56/53/344385653.db2.gz BJWBDXANEDJNMF-NWDGAFQWSA-N 1 0 219.332 1.826 10 0 BDAERO C[NH2+][C@@H]1CCC2(C[C@H]1OC(C)(C)C)OCCO2 ZINC000044095903 344391942 /nfs/dbraw/zinc/39/19/42/344391942.db2.gz NVOMTTHTSJJNIN-GHMZBOCLSA-N 1 0 243.347 1.685 10 0 BDAERO Cc1ccc(C)c([S@](=O)CCC[NH3+])c1 ZINC000040954728 187290884 /nfs/dbraw/zinc/29/08/84/187290884.db2.gz QVWYXVFREHVZJP-AWEZNQCLSA-N 1 0 211.330 1.760 10 0 BDAERO C[NH2+]Cc1cnn(-c2ccc(C)cc2)c1 ZINC000040932365 187290888 /nfs/dbraw/zinc/29/08/88/187290888.db2.gz VNZZUEQMJKTPBD-UHFFFAOYSA-N 1 0 201.273 1.900 10 0 BDAERO CC(C)c1nsc(N(C)[C@@H](C)C[NH3+])n1 ZINC000107216654 344394170 /nfs/dbraw/zinc/39/41/70/344394170.db2.gz LIMFUKZONLZKMN-ZETCQYMHSA-N 1 0 214.338 1.445 10 0 BDAERO C[C@@H]1CN(c2cc(C(C)(C)C)ncn2)C[C@@H]1C[NH3+] ZINC000634812720 344397077 /nfs/dbraw/zinc/39/70/77/344397077.db2.gz PTUFRLZKQLOFKR-MNOVXSKESA-N 1 0 248.374 1.805 10 0 BDAERO CC(C)([NH3+])c1noc(Cc2ccsc2)n1 ZINC000041052830 187290983 /nfs/dbraw/zinc/29/09/83/187290983.db2.gz TZISPPFEUWSXDB-UHFFFAOYSA-N 1 0 223.301 1.916 10 0 BDAERO CC(C)C[C@H]([NH3+])C(=O)NC1(C)CCCC1 ZINC000042187975 187291343 /nfs/dbraw/zinc/29/13/43/187291343.db2.gz RKJPGKOXFPFLJS-JTQLQIEISA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000042592552 344459813 /nfs/dbraw/zinc/45/98/13/344459813.db2.gz YLOACXCROLKXQS-UWVGGRQHSA-N 1 0 200.326 1.521 10 0 BDAERO CN(C(=O)C1(C)CC1)[C@H]1CCC[NH2+]CC1 ZINC000389381427 344534108 /nfs/dbraw/zinc/53/41/08/344534108.db2.gz QNABFTUBZLLVHX-JTQLQIEISA-N 1 0 210.321 1.387 10 0 BDAERO FCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152404661 344541375 /nfs/dbraw/zinc/54/13/75/344541375.db2.gz NANLPRWIQPJKCQ-GFCCVEGCSA-N 1 0 224.279 1.894 10 0 BDAERO CO[C@H]1CCC[N@@H+](C2CCC(=O)CC2)C1 ZINC000230361670 344543273 /nfs/dbraw/zinc/54/32/73/344543273.db2.gz JMPDWCMCIRIDGY-LBPRGKRZSA-N 1 0 211.305 1.609 10 0 BDAERO CC(C)C[C@H](C)N(C)C(=O)C(C)(C)[NH3+] ZINC000042288505 187291679 /nfs/dbraw/zinc/29/16/79/187291679.db2.gz BIIRXJFWOAMAFI-VIFPVBQESA-N 1 0 200.326 1.617 10 0 BDAERO C[C@@H]1C[C@H](N2CCC(=O)CC2)CC[N@@H+]1C ZINC000158291182 344584140 /nfs/dbraw/zinc/58/41/40/344584140.db2.gz IOAJKVZUUKHBJD-GHMZBOCLSA-N 1 0 210.321 1.134 10 0 BDAERO C[C@H]1C[C@@H](N2CCC(=O)CC2)CC[N@@H+]1C ZINC000158291631 344584183 /nfs/dbraw/zinc/58/41/83/344584183.db2.gz IOAJKVZUUKHBJD-QWRGUYRKSA-N 1 0 210.321 1.134 10 0 BDAERO C[C@H]1C[C@H](N2CCC(=O)CC2)CC[N@@H+]1C ZINC000158291325 344584467 /nfs/dbraw/zinc/58/44/67/344584467.db2.gz IOAJKVZUUKHBJD-WDEREUQCSA-N 1 0 210.321 1.134 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncnc1 ZINC000248414133 537852267 /nfs/dbraw/zinc/85/22/67/537852267.db2.gz MJCAXASPQAEEOK-KBPBESRZSA-N 1 0 246.358 1.535 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336779709 537852795 /nfs/dbraw/zinc/85/27/95/537852795.db2.gz PHQICJZFXLUUPS-PDEGPIFNSA-N 1 0 222.332 1.432 10 0 BDAERO CC[C@H](c1cccs1)N1C[C@H]([NH3+])C1=O ZINC000227620948 344663824 /nfs/dbraw/zinc/66/38/24/344663824.db2.gz MXNIJUKMXLHXSD-JGVFFNPUSA-N 1 0 210.302 1.369 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005147 344666785 /nfs/dbraw/zinc/66/67/85/344666785.db2.gz XAAQUUPJOGWYRH-QWRGUYRKSA-N 1 0 219.300 1.208 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2cccnn2)C1 ZINC000052831014 344669366 /nfs/dbraw/zinc/66/93/66/344669366.db2.gz MUHUYUAQJTWWNT-SNVBAGLBSA-N 1 0 206.293 1.373 10 0 BDAERO Cc1occc1C(=O)N(C)C[C@@H](C)C[NH3+] ZINC000042454968 187292350 /nfs/dbraw/zinc/29/23/50/187292350.db2.gz IGTHGBSVAQFZPK-QMMMGPOBSA-N 1 0 210.277 1.255 10 0 BDAERO NC[C@@](F)(C1CC1)[C@@H]1CCCCC[NH2+]1 ZINC000158411656 344645730 /nfs/dbraw/zinc/64/57/30/344645730.db2.gz YLFVSPRDXFJRMN-WDEREUQCSA-N 1 0 200.301 1.596 10 0 BDAERO C[C@@H]1CCSC[C@@H]([C@@H]2CCOC2)[NH2+]1 ZINC000158684084 344721475 /nfs/dbraw/zinc/72/14/75/344721475.db2.gz ZSTMLSYDSNSYTL-BBBLOLIVSA-N 1 0 201.335 1.507 10 0 BDAERO C[C@H](C(N)=S)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000221210550 344703494 /nfs/dbraw/zinc/70/34/94/344703494.db2.gz WZRSCZPCRMQFSX-IWSPIJDZSA-N 1 0 200.351 1.639 10 0 BDAERO CNc1cc(N2CCSCC2)cc[nH+]1 ZINC000227649334 344714113 /nfs/dbraw/zinc/71/41/13/344714113.db2.gz ZLAUEJUUADZYOR-UHFFFAOYSA-N 1 0 209.318 1.677 10 0 BDAERO Cc1nn(C[C@H](C)C(N)=[NH2+])c(C)c1Cl ZINC000050586915 344715778 /nfs/dbraw/zinc/71/57/78/344715778.db2.gz QLBNJKVCRDHRNT-YFKPBYRVSA-N 1 0 214.700 1.725 10 0 BDAERO CO[C@H]1CCC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400401996 537855617 /nfs/dbraw/zinc/85/56/17/537855617.db2.gz UANMQVBUEAIFIN-CABZTGNLSA-N 1 0 221.304 1.340 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)N=c1[nH]c2ccccc2o1 ZINC000336521438 347076987 /nfs/dbraw/zinc/07/69/87/347076987.db2.gz WGSWRJGYNJCYPA-SFYZADRCSA-N 1 0 205.261 1.397 10 0 BDAERO CS[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](CO)C2)C1 ZINC000235123101 344804789 /nfs/dbraw/zinc/80/47/89/344804789.db2.gz BBVBAYNRGFEDHJ-OUAUKWLOSA-N 1 0 215.362 1.585 10 0 BDAERO CC(C)(C)c1nsc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000083670287 133529370 /nfs/dbraw/zinc/52/93/70/133529370.db2.gz ADNXSYUDPHZCDT-QMMMGPOBSA-N 1 0 240.376 1.621 10 0 BDAERO CSC1(C[NH2+][C@@H]2C[C@H]2CO)CCC1 ZINC000308288830 347082392 /nfs/dbraw/zinc/08/23/92/347082392.db2.gz CFSKWEIBZDGLAF-DTWKUNHWSA-N 1 0 201.335 1.243 10 0 BDAERO CS[C@@H]1CCC[C@H](NC2=[NH+]CCN2)C1 ZINC000235216490 344846762 /nfs/dbraw/zinc/84/67/62/344846762.db2.gz JEWBQAUMUXCNRZ-DTWKUNHWSA-N 1 0 213.350 1.209 10 0 BDAERO C[C@@H]1OCC[C@@H]1S[C@@H]1CCC[NH2+]C1 ZINC000235328886 344885271 /nfs/dbraw/zinc/88/52/71/344885271.db2.gz QUXNCJCPWVAIJK-AEJSXWLSSA-N 1 0 201.335 1.649 10 0 BDAERO Cc1nc(CN2CC[N@@H+]3CCC[C@H]3C2)[nH]c1C ZINC000628167318 344878137 /nfs/dbraw/zinc/87/81/37/344878137.db2.gz KVKPIPKRCSCXFK-LBPRGKRZSA-N 1 0 234.347 1.307 10 0 BDAERO C[NH+](C)CC[C@@]1(C)NCCc2ccoc21 ZINC000715208652 537868994 /nfs/dbraw/zinc/86/89/94/537868994.db2.gz ONSGRQJHEMLKQW-GFCCVEGCSA-N 1 0 208.305 1.592 10 0 BDAERO c1nc2n(n1)C[C@@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000122339902 187295418 /nfs/dbraw/zinc/29/54/18/187295418.db2.gz IHGGUAXTHLQONU-RYUDHWBXSA-N 1 0 232.331 1.539 10 0 BDAERO Cn1cc(C[C@@]2(C[NH3+])CCCS2)cn1 ZINC000166506783 344913503 /nfs/dbraw/zinc/91/35/03/344913503.db2.gz IRJXDUFIZHLAGK-SNVBAGLBSA-N 1 0 211.334 1.187 10 0 BDAERO Cc1cc(N[C@H](C)C[NH3+])cnc1Br ZINC000235470320 344919004 /nfs/dbraw/zinc/91/90/04/344919004.db2.gz FYOCELOWMLNKSO-SSDOTTSWSA-N 1 0 244.136 1.912 10 0 BDAERO CCN1CCO[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000166723932 344974602 /nfs/dbraw/zinc/97/46/02/344974602.db2.gz HWBNINAMXFWAIF-GFCCVEGCSA-N 1 0 234.299 1.179 10 0 BDAERO Cc1ccc(O)c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000071140086 178784961 /nfs/dbraw/zinc/78/49/61/178784961.db2.gz UAZGPUFWKOVDDY-NSHDSACASA-N 1 0 248.326 1.477 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000061588927 344978783 /nfs/dbraw/zinc/97/87/83/344978783.db2.gz NUXWUUUKNVCCEB-VXGBXAGGSA-N 1 0 228.405 1.956 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(Br)s1 ZINC000044232537 344988321 /nfs/dbraw/zinc/98/83/21/344988321.db2.gz GDSOEUIXPDXBKX-RXMQYKEDSA-N 1 0 236.134 1.893 10 0 BDAERO CCC1CCC(C[NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000037905475 168515305 /nfs/dbraw/zinc/51/53/05/168515305.db2.gz NRHRTZDFBUZAMS-TUUUFIMRSA-N 1 0 227.348 1.552 10 0 BDAERO CCC1CCC(C[NH2+][C@H]2COC[C@@H]2O)CC1 ZINC000037905476 168515387 /nfs/dbraw/zinc/51/53/87/168515387.db2.gz NRHRTZDFBUZAMS-TYUFSLCMSA-N 1 0 227.348 1.552 10 0 BDAERO CCOc1ccc([C@H]([NH3+])Cn2cccn2)cc1 ZINC000011849951 345032892 /nfs/dbraw/zinc/03/28/92/345032892.db2.gz JBNBEBQATDLTTL-CYBMUJFWSA-N 1 0 231.299 1.982 10 0 BDAERO CSc1cccc([C@]2(O)CC[NH2+]C2)c1 ZINC000238385149 345037714 /nfs/dbraw/zinc/03/77/14/345037714.db2.gz HCSCWXQHASUOQO-NSHDSACASA-N 1 0 209.314 1.589 10 0 BDAERO C[C@H](c1nccs1)N1CCC[C@H]1C[NH3+] ZINC000248095884 345041143 /nfs/dbraw/zinc/04/11/43/345041143.db2.gz YBAZGHYUPUSWSR-BDAKNGLRSA-N 1 0 211.334 1.627 10 0 BDAERO Cc1cc(CN2CC[NH2+]CC2)n(C(C)C)n1 ZINC000146135823 345073388 /nfs/dbraw/zinc/07/33/88/345073388.db2.gz IDCIRESVGHHPGY-UHFFFAOYSA-N 1 0 222.336 1.178 10 0 BDAERO [NH3+]Cc1cnc(OC(F)(F)F)cc1F ZINC000238570265 345080531 /nfs/dbraw/zinc/08/05/31/345080531.db2.gz IRXLRHGHUVVYJZ-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO N[C@@H](C[NH3+])c1occc1Br ZINC000044476999 345090571 /nfs/dbraw/zinc/09/05/71/345090571.db2.gz HNELYQAVAPZSBG-YFKPBYRVSA-N 1 0 205.055 1.001 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCC1CCCC1 ZINC000077558732 187300433 /nfs/dbraw/zinc/30/04/33/187300433.db2.gz BAATZZOBSXODSX-JTQLQIEISA-N 1 0 212.337 1.666 10 0 BDAERO Cc1cc(N)cnc1NC[C@@H](C)[NH+](C)C ZINC000052813437 187300494 /nfs/dbraw/zinc/30/04/94/187300494.db2.gz GYHIKDFRAPAIPU-SECBINFHSA-N 1 0 208.309 1.334 10 0 BDAERO OC[C@@]1(c2cccc(Cl)c2)CC[NH2+]C1 ZINC000238699073 345112238 /nfs/dbraw/zinc/11/22/38/345112238.db2.gz CTEPEXNRRNOSBK-LLVKDONJSA-N 1 0 211.692 1.563 10 0 BDAERO CC[C@@H]([NH3+])C(=O)Nc1cnccc1Cl ZINC000166743891 345114947 /nfs/dbraw/zinc/11/49/47/345114947.db2.gz VYGRYMGDIIITME-SSDOTTSWSA-N 1 0 213.668 1.411 10 0 BDAERO C[C@@H]([NH3+])CNc1cc(Cl)nnc1Cl ZINC000127307334 345171775 /nfs/dbraw/zinc/17/17/75/345171775.db2.gz KZYQMOQNUDEPGV-SCSAIBSYSA-N 1 0 221.091 1.543 10 0 BDAERO CS[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000225507115 345153450 /nfs/dbraw/zinc/15/34/50/345153450.db2.gz PFLGALIOGPKARN-XHNCKOQMSA-N 1 0 216.350 1.124 10 0 BDAERO CC[C@@H](C)C[N@@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000408389854 345246785 /nfs/dbraw/zinc/24/67/85/345246785.db2.gz OVFYVIHGGCEKHT-DVVUODLYSA-N 1 0 239.319 1.532 10 0 BDAERO Cc1cc2c(N[C@H](C)C[C@@H](C)[NH3+])nccn2n1 ZINC000130438516 345275209 /nfs/dbraw/zinc/27/52/09/345275209.db2.gz BIEAUZLNPSHUCG-RKDXNWHRSA-N 1 0 233.319 1.575 10 0 BDAERO CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C[NH3+] ZINC000148164109 345288165 /nfs/dbraw/zinc/28/81/65/345288165.db2.gz ZBNRVIGHEROTFW-XHNCKOQMSA-N 1 0 212.293 1.343 10 0 BDAERO Cc1cc(CC2=C[C@H](N)C[NH2+]C2)cs1 ZINC000675077956 537895281 /nfs/dbraw/zinc/89/52/81/537895281.db2.gz KTRFTBKPIMPREJ-NSHDSACASA-N 1 0 208.330 1.456 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC000158838106 345382042 /nfs/dbraw/zinc/38/20/42/345382042.db2.gz YAOWXHCQABSAML-MDZLAQPJSA-N 1 0 238.375 1.877 10 0 BDAERO CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000159071102 345406786 /nfs/dbraw/zinc/40/67/86/345406786.db2.gz KQNQIPWNGYIMNP-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO C[C@@H]1C[NH2+][C@@]2(CCCN(C)C2)SC1 ZINC000134357736 345409789 /nfs/dbraw/zinc/40/97/89/345409789.db2.gz PJHCLBWVNPFWRJ-ZJUUUORDSA-N 1 0 200.351 1.381 10 0 BDAERO C[NH2+]Cc1nc(-c2cncs2)cs1 ZINC000229140448 345439049 /nfs/dbraw/zinc/43/90/49/345439049.db2.gz HFFJZKQFSLHYTJ-UHFFFAOYSA-N 1 0 211.315 1.986 10 0 BDAERO COCCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159566800 345442888 /nfs/dbraw/zinc/44/28/88/345442888.db2.gz MIYSUQDCLDEVDO-GFCCVEGCSA-N 1 0 228.336 1.061 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](S(C)(=O)=O)C1 ZINC000054930210 345562719 /nfs/dbraw/zinc/56/27/19/345562719.db2.gz MOZFUAXFGJUUSO-OPRDCNLKSA-N 1 0 219.350 1.198 10 0 BDAERO CC[C@@H]([NH3+])c1nc2cc(OC)ccc2[nH]1 ZINC000071743298 537898942 /nfs/dbraw/zinc/89/89/42/537898942.db2.gz BXAKOBXDHKBSME-MRVPVSSYSA-N 1 0 205.261 1.981 10 0 BDAERO c1ncn([C@H]2CCC[N@@H+](CC3=CCCOC3)C2)n1 ZINC000179470026 187307964 /nfs/dbraw/zinc/30/79/64/187307964.db2.gz JKEURIVFMSLNCI-ZDUSSCGKSA-N 1 0 248.330 1.262 10 0 BDAERO CC[C@@H](O)C[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC000034117367 345817049 /nfs/dbraw/zinc/81/70/49/345817049.db2.gz PABCDNCNBSROLD-AGIUHOORSA-N 1 0 229.364 1.806 10 0 BDAERO Cc1cc(C)nc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000257353414 345774360 /nfs/dbraw/zinc/77/43/60/345774360.db2.gz RAHZCZQKRHNBRM-XYPYZODXSA-N 1 0 220.320 1.775 10 0 BDAERO CSCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944471 345793357 /nfs/dbraw/zinc/79/33/57/345793357.db2.gz VWQFKWMLWVCPSO-GUBZILKMSA-N 1 0 215.362 1.753 10 0 BDAERO CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@H]1[NH3+] ZINC000215737304 345849606 /nfs/dbraw/zinc/84/96/06/345849606.db2.gz LTGGAMBUUPUTCF-KCJUWKMLSA-N 1 0 214.309 1.781 10 0 BDAERO CCOC(=O)[C@@H]1CC[C@H](c2cccc(O)c2)N1 ZINC000034432895 345833574 /nfs/dbraw/zinc/83/35/74/345833574.db2.gz UWKIAAQZRNTRRZ-NEPJUHHUSA-N 1 0 235.283 1.748 10 0 BDAERO Cc1ccc([S@](=O)C[C@H]2CC[NH2+]C2)nc1 ZINC000095069067 178934200 /nfs/dbraw/zinc/93/42/00/178934200.db2.gz RBPYRHRFLGZJRA-BONVTDFDSA-N 1 0 224.329 1.107 10 0 BDAERO [NH2+]=C1N[C@@H](Cc2ccccc2Cl)CO1 ZINC000169698826 345867877 /nfs/dbraw/zinc/86/78/77/345867877.db2.gz HTQDUYXRMMEIMU-QMMMGPOBSA-N 1 0 210.664 1.596 10 0 BDAERO CCNC(=O)/C=C/[C@@H](C)[NH2+]Cc1ccccc1 ZINC000143508768 345902599 /nfs/dbraw/zinc/90/25/99/345902599.db2.gz IQLLXDYCQAXNFC-BZYZDCJZSA-N 1 0 232.327 1.857 10 0 BDAERO C[NH+](C)C[C@@H](c1ccccc1)n1cc(N)cn1 ZINC000144175153 345918529 /nfs/dbraw/zinc/91/85/29/345918529.db2.gz DISXFMHVSDCXRS-ZDUSSCGKSA-N 1 0 230.315 1.616 10 0 BDAERO [NH3+]C1CN(Cc2ccc(Br)cc2)C1 ZINC000083634327 345919579 /nfs/dbraw/zinc/91/95/79/345919579.db2.gz CHAZZCMJKPUFFV-UHFFFAOYSA-N 1 0 241.132 1.592 10 0 BDAERO C[C@@H](CCN1CC([NH3+])C1)c1ccccc1 ZINC000083634900 345919624 /nfs/dbraw/zinc/91/96/24/345919624.db2.gz WKUCUEMSALDHTE-NSHDSACASA-N 1 0 204.317 1.823 10 0 BDAERO Cc1c(CN2CCC[C@H](C)[C@@H]2C[NH3+])cnn1C ZINC000093651381 187361152 /nfs/dbraw/zinc/36/11/52/187361152.db2.gz GIENFDDOLXBUKV-GWCFXTLKSA-N 1 0 236.363 1.288 10 0 BDAERO COCCN(C)c1cc(N)[nH+]c(C2CC2)n1 ZINC000087909110 345940038 /nfs/dbraw/zinc/94/00/38/345940038.db2.gz XQKDIVUQHJXVQQ-UHFFFAOYSA-N 1 0 222.292 1.019 10 0 BDAERO Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2O)o1 ZINC000628223718 345964921 /nfs/dbraw/zinc/96/49/21/345964921.db2.gz PFMKDKIZZUNLST-MWLCHTKSSA-N 1 0 210.277 1.234 10 0 BDAERO CC(=O)N[C@@H]1CC[C@H]([NH3+])c2sccc21 ZINC000082374164 187314347 /nfs/dbraw/zinc/31/43/47/187314347.db2.gz SJJPTXYIQXFYDD-DTWKUNHWSA-N 1 0 210.302 1.719 10 0 BDAERO [NH3+][C@@H](CCO)c1cccc(F)c1Cl ZINC000095638749 346080057 /nfs/dbraw/zinc/08/00/57/346080057.db2.gz BLKHRZYZANJYPE-QMMMGPOBSA-N 1 0 203.644 1.861 10 0 BDAERO OC[C@@]1(C[C@H]2CO2)CC[N@H+](Cc2ccccc2)C1 ZINC000669372066 537948119 /nfs/dbraw/zinc/94/81/19/537948119.db2.gz IBPJXRGVAQFUKV-LSDHHAIUSA-N 1 0 247.338 1.660 10 0 BDAERO CCc1ccc(N2C[C@@H](C[NH2+]C)OC2=O)cc1 ZINC000077369146 537944403 /nfs/dbraw/zinc/94/44/03/537944403.db2.gz RTNQBOZVAKSECT-GFCCVEGCSA-N 1 0 234.299 1.794 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncnc1 ZINC000245686969 537953400 /nfs/dbraw/zinc/95/34/00/537953400.db2.gz ASVCZRHHQMMQLP-AAEUAGOBSA-N 1 0 232.331 1.145 10 0 BDAERO CCC[C@H](C[NH3+])[C@@H](O)C1(SC)CC1 ZINC000308189923 537950147 /nfs/dbraw/zinc/95/01/47/537950147.db2.gz MVYXCNCUFVHUDN-RKDXNWHRSA-N 1 0 203.351 1.618 10 0 BDAERO Cc1cccc(-c2ncc(CC[NH3+])cn2)c1 ZINC000054857429 178998264 /nfs/dbraw/zinc/99/82/64/178998264.db2.gz GGBADSQMROKVAW-UHFFFAOYSA-N 1 0 213.284 1.953 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NOCc1ccccc1 ZINC000136474191 346228000 /nfs/dbraw/zinc/22/80/00/346228000.db2.gz ABGWXXNYTKMEJN-GFCCVEGCSA-N 1 0 236.315 1.608 10 0 BDAERO [NH3+]CC[C@@H](O)c1nc2cnccc2s1 ZINC000236267527 346218122 /nfs/dbraw/zinc/21/81/22/346218122.db2.gz RFQNKUXNNSOHHG-SSDOTTSWSA-N 1 0 209.274 1.074 10 0 BDAERO Cc1ccsc1C(=O)CN1CC[NH2+]CC1 ZINC000082652297 187318218 /nfs/dbraw/zinc/31/82/18/187318218.db2.gz DNXNJSBCBDUTMY-UHFFFAOYSA-N 1 0 224.329 1.144 10 0 BDAERO Cc1cccc(C(=O)NC2C[NH2+]C2)c1Cl ZINC000129138610 179015098 /nfs/dbraw/zinc/01/50/98/179015098.db2.gz RBFQMJHWBFQJCR-UHFFFAOYSA-N 1 0 224.691 1.350 10 0 BDAERO CC(C)Cn1cnnc1C[C@H]1CCC[NH2+]1 ZINC000054526286 187318339 /nfs/dbraw/zinc/31/83/39/187318339.db2.gz RCHKONQEKVPJNV-SNVBAGLBSA-N 1 0 208.309 1.229 10 0 BDAERO CC(C)(C[NH2+]C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000054638342 187318474 /nfs/dbraw/zinc/31/84/74/187318474.db2.gz VXXSHKDZHLLGIC-SECBINFHSA-N 1 0 231.361 1.199 10 0 BDAERO C[C@@H](C[NH3+])[C@@](C)(O)COCc1ccccc1 ZINC000669377586 537964936 /nfs/dbraw/zinc/96/49/36/537964936.db2.gz ULSKZTOGQCVRMH-AAEUAGOBSA-N 1 0 223.316 1.549 10 0 BDAERO CC(C)[C@@H](C)C(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669378233 537966873 /nfs/dbraw/zinc/96/68/73/537966873.db2.gz AGENHVIPMVZCLL-LDYMZIIASA-N 1 0 236.306 1.767 10 0 BDAERO CSC1CC(O)(C2(C[NH3+])CCC2)C1 ZINC000669377916 537967145 /nfs/dbraw/zinc/96/71/45/537967145.db2.gz JYRSGDBTEZFDSW-UHFFFAOYSA-N 1 0 201.335 1.372 10 0 BDAERO COC(=O)c1occc1C[NH2+][C@@H]1C[C@@H]1C ZINC000052274555 346304309 /nfs/dbraw/zinc/30/43/09/346304309.db2.gz QWWQREQYWUSZAN-IONNQARKSA-N 1 0 209.245 1.564 10 0 BDAERO CC(C)[NH2+]CCN(C)C(=O)[C@@H](C)C(C)C ZINC000669378536 537968227 /nfs/dbraw/zinc/96/82/27/537968227.db2.gz FSLHGEDSMPYYEI-NSHDSACASA-N 1 0 214.353 1.735 10 0 BDAERO Cc1cccc(C)c1OCC[NH2+]CCN(C)C ZINC000041271915 179045820 /nfs/dbraw/zinc/04/58/20/179045820.db2.gz BFMVJWAXGMQAGX-UHFFFAOYSA-N 1 0 236.359 1.833 10 0 BDAERO Cc1cccc(C)c1OCC[C@H](O)CC[NH3+] ZINC000041243074 179047009 /nfs/dbraw/zinc/04/70/09/179047009.db2.gz DVWUUXMVXKBWNO-GFCCVEGCSA-N 1 0 223.316 1.782 10 0 BDAERO Cc1cccc(CC(=O)N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000063172209 179052153 /nfs/dbraw/zinc/05/21/53/179052153.db2.gz WZIRZJFTXRNJLH-QWHCGFSZSA-N 1 0 232.327 1.534 10 0 BDAERO C[NH2+]CCN(C(=O)N[C@H](C)C(C)C)C(C)C ZINC000669378810 537970105 /nfs/dbraw/zinc/97/01/05/537970105.db2.gz ODTPSJKHYPRDKH-LLVKDONJSA-N 1 0 229.368 1.670 10 0 BDAERO Cc1cccc(CCN2CC[NH2+]C[C@H]2C)c1 ZINC000071520973 179056972 /nfs/dbraw/zinc/05/69/72/179056972.db2.gz WMHGQGPDKFSYSP-CYBMUJFWSA-N 1 0 218.344 1.831 10 0 BDAERO Cc1cccc(CN2CCC[NH2+][C@H](C)CC2)n1 ZINC000051577667 179074731 /nfs/dbraw/zinc/07/47/31/179074731.db2.gz QCFPSGDCERYOPT-GFCCVEGCSA-N 1 0 233.359 1.964 10 0 BDAERO CC(=O)N1CC[N@H+](C2CCCC2)C(C)(C)C1 ZINC000336472824 187368204 /nfs/dbraw/zinc/36/82/04/187368204.db2.gz GMBILGYJRLAOLS-UHFFFAOYSA-N 1 0 224.348 1.872 10 0 BDAERO CCC[C@H](C)C(=O)N(CC[NH2+]C)C(C)C ZINC000669379192 537975507 /nfs/dbraw/zinc/97/55/07/537975507.db2.gz WOBUVQCYLPTKED-NSHDSACASA-N 1 0 214.353 1.879 10 0 BDAERO [NH2+]=C1N[C@H](c2cccc(Cl)c2F)CO1 ZINC000159740110 346429917 /nfs/dbraw/zinc/42/99/17/346429917.db2.gz SSJTYQRXOREPOE-ZETCQYMHSA-N 1 0 214.627 1.865 10 0 BDAERO C[C@](CC[NH3+])(NC(=O)C1CCC1)C(F)F ZINC000669379555 537979666 /nfs/dbraw/zinc/97/96/66/537979666.db2.gz FEDFBGOJEHCKEM-SNVBAGLBSA-N 1 0 220.263 1.275 10 0 BDAERO C[C@@H]1C[NH+]=C(NN2CCCCC2)SC1 ZINC000148812419 346454975 /nfs/dbraw/zinc/45/49/75/346454975.db2.gz JBTHXVQTIHLFTE-SECBINFHSA-N 1 0 213.350 1.716 10 0 BDAERO NC(=[NH2+])Cc1cncc(Br)c1 ZINC000160610734 346459723 /nfs/dbraw/zinc/45/97/23/346459723.db2.gz QGVIUBWRVMMQRW-UHFFFAOYSA-N 1 0 214.066 1.323 10 0 BDAERO CCC(F)(F)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798947 362747085 /nfs/dbraw/zinc/74/70/85/362747085.db2.gz RDTFOUKGDXPLBE-IVZWLZJFSA-N 1 0 218.291 1.701 10 0 BDAERO C[C@@H]1C[NH2+]CCN1Cc1ccnc(F)c1 ZINC000725241691 537981951 /nfs/dbraw/zinc/98/19/51/537981951.db2.gz MSVOVPHYLGEZKW-SECBINFHSA-N 1 0 209.268 1.014 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241649 537982042 /nfs/dbraw/zinc/98/20/42/537982042.db2.gz KRPHZGYUOLWOCS-NSHDSACASA-N 1 0 239.363 1.568 10 0 BDAERO CC(C)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000105823775 346560323 /nfs/dbraw/zinc/56/03/23/346560323.db2.gz CWJRQPPASBBUNG-NWDGAFQWSA-N 1 0 214.353 1.029 10 0 BDAERO CCN1CCC[C@@H]1C[N@H+](C)C[C@@H](C)COC ZINC000187246873 346563403 /nfs/dbraw/zinc/56/34/03/346563403.db2.gz DYTRWTMEUSIULL-CHWSQXEVSA-N 1 0 228.380 1.685 10 0 BDAERO [NH3+][C@@H]([C@@H]1CCSC1)C1CCOCC1 ZINC000162902801 346541851 /nfs/dbraw/zinc/54/18/51/346541851.db2.gz KFFBCEFUGFPNPM-NXEZZACHSA-N 1 0 201.335 1.493 10 0 BDAERO Cc1cccc(Cn2cc(C[NH3+])nn2)c1 ZINC000050224510 179109063 /nfs/dbraw/zinc/10/90/63/179109063.db2.gz RWMRRPJOLFLJPU-UHFFFAOYSA-N 1 0 202.261 1.094 10 0 BDAERO Cc1cccc(N)c1C(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000042543579 179119200 /nfs/dbraw/zinc/11/92/00/179119200.db2.gz AWGUJQZAYHDQKR-SNVBAGLBSA-N 1 0 233.315 1.011 10 0 BDAERO C[C@H]([NH3+])C(C)(C)Nc1ncncc1Cl ZINC000163770906 346576237 /nfs/dbraw/zinc/57/62/37/346576237.db2.gz KJEADRGWXZWUPW-LURJTMIESA-N 1 0 214.700 1.668 10 0 BDAERO Cc1nc([C@@H]([NH3+])[C@H]2CCCO2)sc1C ZINC000149211640 346599173 /nfs/dbraw/zinc/59/91/73/346599173.db2.gz FCJLALHVEWYQKL-BDAKNGLRSA-N 1 0 212.318 1.939 10 0 BDAERO COC1CCC2(CC1)[NH2+]CCCS2 ZINC000164327116 346600347 /nfs/dbraw/zinc/60/03/47/346600347.db2.gz NTVPWDBNJPSUOG-UHFFFAOYSA-N 1 0 201.335 1.998 10 0 BDAERO Cc1cccc(N)c1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037645575 179119453 /nfs/dbraw/zinc/11/94/53/179119453.db2.gz DDXZZUNRYOGOEG-LLVKDONJSA-N 1 0 247.342 1.259 10 0 BDAERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)O ZINC000390525908 259392565 /nfs/dbraw/zinc/39/25/65/259392565.db2.gz GSLFWRNMCIRFHS-ZJUUUORDSA-N 1 0 229.320 1.079 10 0 BDAERO COC(C)(C)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242695 537985695 /nfs/dbraw/zinc/98/56/95/537985695.db2.gz KSCUNQOLSXKBRA-SNVBAGLBSA-N 1 0 209.293 1.032 10 0 BDAERO [NH3+]C1(C(=O)Nc2cnccc2Cl)CC1 ZINC000166754255 346689070 /nfs/dbraw/zinc/68/90/70/346689070.db2.gz MSSYOAWDCRBUEZ-UHFFFAOYSA-N 1 0 211.652 1.165 10 0 BDAERO COc1ccc(CN2CCC[C@H]2C[NH3+])cn1 ZINC000166836056 346692114 /nfs/dbraw/zinc/69/21/14/346692114.db2.gz QQRJVZNYXMBTNT-NSHDSACASA-N 1 0 221.304 1.013 10 0 BDAERO CCC[C@@H](C)[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000590000256 346761262 /nfs/dbraw/zinc/76/12/62/346761262.db2.gz CEVXLXWGGYPBNS-VXGBXAGGSA-N 1 0 214.353 1.437 10 0 BDAERO CCCCOC[C@H](O)C[NH+]1CC(CC2CC2)C1 ZINC000621992123 370649534 /nfs/dbraw/zinc/64/95/34/370649534.db2.gz MYAYDSXNXVBMME-CQSZACIVSA-N 1 0 241.375 1.896 10 0 BDAERO CC[C@H]1CC[C@]2(C1)[NH2+]CCc1ncn(C)c12 ZINC000725242768 537985966 /nfs/dbraw/zinc/98/59/66/537985966.db2.gz RXXFNRQCHKXEBO-GXFFZTMASA-N 1 0 219.332 1.971 10 0 BDAERO Cc1cccc(OCCOCC[NH3+])c1C ZINC000020221429 179169575 /nfs/dbraw/zinc/16/95/75/179169575.db2.gz IGYJEDGCGDFHHH-UHFFFAOYSA-N 1 0 209.289 1.658 10 0 BDAERO CSC[C@@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378667431 346801069 /nfs/dbraw/zinc/80/10/69/346801069.db2.gz HHGOUIUICWRDRY-QCNOEVLYSA-N 1 0 229.389 1.879 10 0 BDAERO CN1N=C2CC[NH2+]C[C@]2(Cc2ccccc2)C1=O ZINC000034586996 347119374 /nfs/dbraw/zinc/11/93/74/347119374.db2.gz SRIVSGVZUKSXSC-AWEZNQCLSA-N 1 0 243.310 1.037 10 0 BDAERO [NH3+]C1CCC([S@@](=O)C2CCCC2)CC1 ZINC000062830111 347138876 /nfs/dbraw/zinc/13/88/76/347138876.db2.gz MZCXJELBHHCEFR-PFMWSLTASA-N 1 0 215.362 1.948 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])n2cncn2)c1 ZINC000042967731 179184232 /nfs/dbraw/zinc/18/42/32/179184232.db2.gz IGSPWKYSINIRRW-LLVKDONJSA-N 1 0 202.261 1.135 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N2CC[C@H](O)C2)c1 ZINC000061709789 179184583 /nfs/dbraw/zinc/18/45/83/179184583.db2.gz JDFNEKQZGBFYFL-QWHCGFSZSA-N 1 0 220.316 1.061 10 0 BDAERO CCN(C1C[NH2+]C1)[C@@H]1CS[C@H](C)C1 ZINC000250086457 362786253 /nfs/dbraw/zinc/78/62/53/362786253.db2.gz VTCHFBBXFLFJCH-BDAKNGLRSA-N 1 0 200.351 1.174 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]([S@](=O)c2cccs2)C1 ZINC000250088870 362786392 /nfs/dbraw/zinc/78/63/92/362786392.db2.gz NWYSHBXTKHBCCS-RBDZCENOSA-N 1 0 215.343 1.736 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000382188218 347224002 /nfs/dbraw/zinc/22/40/02/347224002.db2.gz BZPZIPCWVDPFJS-ZDEQEGDKSA-N 1 0 209.333 1.926 10 0 BDAERO CN(Cc1ccccc1)[C@@H]1COCC[C@H]1[NH3+] ZINC000250253916 362796513 /nfs/dbraw/zinc/79/65/13/362796513.db2.gz XNLUAOBZKGUMSD-CHWSQXEVSA-N 1 0 220.316 1.235 10 0 BDAERO CO[C@@H]([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000388285194 347290132 /nfs/dbraw/zinc/29/01/32/347290132.db2.gz PXXHWOXWKKKWQS-DLOVCJGASA-N 1 0 229.364 1.797 10 0 BDAERO C[N@H+](C[C@H]1CCCO1)[C@H]1CCCC(=O)C1 ZINC000250371961 362802157 /nfs/dbraw/zinc/80/21/57/362802157.db2.gz HKOUIPQXDZOGLY-CMPLNLGQSA-N 1 0 211.305 1.609 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000310525623 347292136 /nfs/dbraw/zinc/29/21/36/347292136.db2.gz XVHHUEYUFOJTPA-RYUDHWBXSA-N 1 0 245.363 1.009 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N2CCO[C@H](C)C2)c1 ZINC000019256892 179198726 /nfs/dbraw/zinc/19/87/26/179198726.db2.gz CWHGUGCTQAPMPL-OCCSQVGLSA-N 1 0 234.343 1.716 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N2CCC(CO)CC2)c1 ZINC000020178966 179199064 /nfs/dbraw/zinc/19/90/64/179199064.db2.gz XRYFYTSSDOAJAO-HNNXBMFYSA-N 1 0 248.370 1.699 10 0 BDAERO CCO[C@@H]1C[C@H]([NH3+])[C@H]1Nc1nccs1 ZINC000250587539 362810786 /nfs/dbraw/zinc/81/07/86/362810786.db2.gz ZZTYGDRFGSPZME-XLPZGREQSA-N 1 0 213.306 1.060 10 0 BDAERO CSC1([C@H]2[NH2+]CCc3ncn(C)c32)CCC1 ZINC000725242839 537989319 /nfs/dbraw/zinc/98/93/19/537989319.db2.gz XTAFTSPETWJIRI-NSHDSACASA-N 1 0 237.372 1.893 10 0 BDAERO Cc1cccc2c(N(C)CCO)cc[nH+]c12 ZINC000301711933 179210351 /nfs/dbraw/zinc/21/03/51/179210351.db2.gz ICQSIRGTPFKHIQ-UHFFFAOYSA-N 1 0 216.284 1.972 10 0 BDAERO COC(=O)c1ccc(N2CC[C@@H]([NH3+])[C@@H]2C)nc1C ZINC000310750366 347302816 /nfs/dbraw/zinc/30/28/16/347302816.db2.gz HZVXHDRVZXXMBR-GXSJLCMTSA-N 1 0 249.314 1.103 10 0 BDAERO Cc1cccc2nc3n(c(=O)c12)CCC[C@@H]3[NH3+] ZINC000072266495 179230926 /nfs/dbraw/zinc/23/09/26/179230926.db2.gz LHDMTYSVBYISOQ-VIFPVBQESA-N 1 0 229.283 1.499 10 0 BDAERO c1ccc2c(c1)ncnc2NC[C@@H]1CCC[NH2+]1 ZINC000053255411 347442262 /nfs/dbraw/zinc/44/22/62/347442262.db2.gz NWFXEIQUSYYOLU-JTQLQIEISA-N 1 0 228.299 1.794 10 0 BDAERO Cc1cccc2cnn(CC3=[NH+]CCN3)c21 ZINC000073279881 179228066 /nfs/dbraw/zinc/22/80/66/179228066.db2.gz CHIFEYGVHJOXNJ-UHFFFAOYSA-N 1 0 214.272 1.346 10 0 BDAERO Cc1ccccc1-c1ncc(CC[NH3+])cn1 ZINC000054857421 179239939 /nfs/dbraw/zinc/23/99/39/179239939.db2.gz QBPNEDFDVCIQQQ-UHFFFAOYSA-N 1 0 213.284 1.953 10 0 BDAERO Cc1ccccc1CCC(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000063172074 179261242 /nfs/dbraw/zinc/26/12/42/179261242.db2.gz NBSLAAQDCZCEKG-KBPBESRZSA-N 1 0 246.354 1.924 10 0 BDAERO CC(C)CCOCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399245440 323152146 /nfs/dbraw/zinc/15/21/46/323152146.db2.gz NHPGJRFQSXCKQE-QWHCGFSZSA-N 1 0 229.364 1.894 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCCS1 ZINC000308527995 347801810 /nfs/dbraw/zinc/80/18/10/347801810.db2.gz JKQIRMPLTXSNFG-ZJUUUORDSA-N 1 0 217.378 1.879 10 0 BDAERO OCC(CO)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000196151717 347810742 /nfs/dbraw/zinc/81/07/42/347810742.db2.gz IVCSPMQFLAKKTF-CQSZACIVSA-N 1 0 235.327 1.424 10 0 BDAERO Cn1cc(-c2cc(C[NH3+])ccc2N)cn1 ZINC000669380822 537992928 /nfs/dbraw/zinc/99/29/28/537992928.db2.gz XDMDWAFMHYRELV-UHFFFAOYSA-N 1 0 202.261 1.128 10 0 BDAERO Cc1ccccc1Cc1n[nH]c([C@@H](C)[NH3+])n1 ZINC000061844028 179293265 /nfs/dbraw/zinc/29/32/65/179293265.db2.gz KGUJQDSJMKHEFE-SECBINFHSA-N 1 0 216.288 1.724 10 0 BDAERO Cc1ccccc1NC(=O)C[NH2+][C@H]1CCN(C)C1 ZINC000042547585 179299321 /nfs/dbraw/zinc/29/93/21/179299321.db2.gz PKHSPCOCWIQTOU-LBPRGKRZSA-N 1 0 247.342 1.227 10 0 BDAERO CCC[C@@H](C)C(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000616569972 347880827 /nfs/dbraw/zinc/88/08/27/347880827.db2.gz DHWYEYPRKRYDOJ-LLVKDONJSA-N 1 0 224.348 1.635 10 0 BDAERO CC(C)CC(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616570077 347899577 /nfs/dbraw/zinc/89/95/77/347899577.db2.gz DZCVLKKHLKJPRU-QWRGUYRKSA-N 1 0 210.321 1.385 10 0 BDAERO CN1CCC([N@H+](C)CC[C@@H]2CCC2=O)CC1 ZINC000669381704 537994472 /nfs/dbraw/zinc/99/44/72/537994472.db2.gz SHYXIQHJKJWLAE-NSHDSACASA-N 1 0 224.348 1.382 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(C)C ZINC000037207550 179337518 /nfs/dbraw/zinc/33/75/18/179337518.db2.gz CKJGVHSHGMMBSU-NSHDSACASA-N 1 0 220.316 1.734 10 0 BDAERO Cc1ccccc1[C@@]1(C)C[C@]1(C[NH3+])CO ZINC000062670105 179332688 /nfs/dbraw/zinc/33/26/88/179332688.db2.gz NAAJHSALSUKIFS-OLZOCXBDSA-N 1 0 205.301 1.594 10 0 BDAERO Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037166222 348024947 /nfs/dbraw/zinc/02/49/47/348024947.db2.gz IDZMJIRUOYXYMX-MNOVXSKESA-N 1 0 209.293 1.111 10 0 BDAERO CC[NH2+]C[C@@H](O)CN(CC)Cc1ccccc1 ZINC000036950623 347980499 /nfs/dbraw/zinc/98/04/99/347980499.db2.gz DBDVVWLSCAICHK-CQSZACIVSA-N 1 0 236.359 1.479 10 0 BDAERO CC(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616570639 348079752 /nfs/dbraw/zinc/07/97/52/348079752.db2.gz HCRRDWREFLHAPT-YUMQZZPRSA-N 1 0 238.253 1.299 10 0 BDAERO CC(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616570637 348079927 /nfs/dbraw/zinc/07/99/27/348079927.db2.gz HCRRDWREFLHAPT-SFYZADRCSA-N 1 0 238.253 1.299 10 0 BDAERO O=C(C1CCCCC1)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616570919 348078452 /nfs/dbraw/zinc/07/84/52/348078452.db2.gz IBTQNEGWGQJOPR-STQMWFEESA-N 1 0 236.359 1.920 10 0 BDAERO Cc1ccccc1[C@H](O)C[NH2+]CCN(C)C ZINC000032014364 179345019 /nfs/dbraw/zinc/34/50/19/179345019.db2.gz UXLKPUSGQXWRKL-CYBMUJFWSA-N 1 0 222.332 1.180 10 0 BDAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCOCC1 ZINC000043033289 179346494 /nfs/dbraw/zinc/34/64/94/179346494.db2.gz KAWNVLZWFVEUGW-JSGCOSHPSA-N 1 0 234.343 1.716 10 0 BDAERO C/C=C/C(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616571535 348199572 /nfs/dbraw/zinc/19/95/72/348199572.db2.gz LQYLVMVDTPVGEK-SNAWJCMRSA-N 1 0 224.348 1.705 10 0 BDAERO O=C(Cc1ccccc1)N[C@@]12CC[C@H]1C[NH2+]C2 ZINC000616571446 348201489 /nfs/dbraw/zinc/20/14/89/348201489.db2.gz GTUUKPUEOJRSCG-GXTWGEPZSA-N 1 0 230.311 1.097 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CC1(CCO)CC1 ZINC000308791587 323178169 /nfs/dbraw/zinc/17/81/69/323178169.db2.gz IPCYPYLKGIQCLW-SNVBAGLBSA-N 1 0 215.337 1.146 10 0 BDAERO CC[C@H](C)[S@](=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000251402281 362870529 /nfs/dbraw/zinc/87/05/29/362870529.db2.gz ZHRYBDYMSBZTGA-YVNDNENWSA-N 1 0 203.351 1.804 10 0 BDAERO [NH3+][C@H]1CCCN(C[C@H]2CCCS2)C1 ZINC000251415984 362872517 /nfs/dbraw/zinc/87/25/17/362872517.db2.gz RPZBZZXKFUFOES-VHSXEESVSA-N 1 0 200.351 1.305 10 0 BDAERO Cc1c2cc3c(cc2nc(N)c1C[NH3+])OCO3 ZINC000725244893 538001198 /nfs/dbraw/zinc/00/11/98/538001198.db2.gz YHQZGTRPDPSHPB-UHFFFAOYSA-N 1 0 231.255 1.313 10 0 BDAERO Cc1cccnc1[C@@H]([NH3+])c1cncc(F)c1 ZINC000043616553 179397637 /nfs/dbraw/zinc/39/76/37/179397637.db2.gz MLEJOIKIZQJYOL-NSHDSACASA-N 1 0 217.247 1.972 10 0 BDAERO C[C@@H]1CC[C@@H]([C@H]2[NH2+]C(C)(C)CS2)O1 ZINC000251690152 362898317 /nfs/dbraw/zinc/89/83/17/362898317.db2.gz HEGICZLQKJPMMY-VGMNWLOBSA-N 1 0 201.335 1.995 10 0 BDAERO COC(C)(C)CNC1=[NH+]C[C@H](C)CS1 ZINC000159291000 349984402 /nfs/dbraw/zinc/98/44/02/349984402.db2.gz QEWIVWBOHOCWOK-QMMMGPOBSA-N 1 0 216.350 1.740 10 0 BDAERO C[N@H+](C1CCOCC1)[C@@H]1CCCCC1=O ZINC000037339952 348330454 /nfs/dbraw/zinc/33/04/54/348330454.db2.gz ZLAQAMQTPGDDAL-LLVKDONJSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@@H]1CSCCN1[C@H]1CCC[NH2+]C1 ZINC000251550919 362886446 /nfs/dbraw/zinc/88/64/46/362886446.db2.gz BFLJVLHHOCAMRQ-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO CC(C)[C@@H](CN)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000251596516 362889303 /nfs/dbraw/zinc/88/93/03/362889303.db2.gz FYTFBLGVGSYITD-GMTAPVOTSA-N 1 0 216.394 1.796 10 0 BDAERO Cc1cccnc1N[C@H]1CCC[N@@H+](C)C1 ZINC000051041046 179395891 /nfs/dbraw/zinc/39/58/91/179395891.db2.gz DXXBZRCNVPMTJW-NSHDSACASA-N 1 0 205.305 1.896 10 0 BDAERO C[C@H]1C[N@@H+]([C@H]2CCCCC2=O)CCCO1 ZINC000251732564 362904062 /nfs/dbraw/zinc/90/40/62/362904062.db2.gz KKEIZMCCYCWQEP-QWRGUYRKSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+][C@H](C)C[S@](=O)[C@@H]2C1 ZINC000251749463 362905013 /nfs/dbraw/zinc/90/50/13/362905013.db2.gz JQPXDDOLTMOKNA-YANYRWCTSA-N 1 0 201.335 1.284 10 0 BDAERO C[NH+](C)C1CCN(c2nsnc2Cl)CC1 ZINC000037372480 348356554 /nfs/dbraw/zinc/35/65/54/348356554.db2.gz HEWMCGGJKOEYJL-UHFFFAOYSA-N 1 0 246.767 1.722 10 0 BDAERO [NH3+]Cc1ccc(Cl)c(N2CCOCC2)n1 ZINC000669382078 538002998 /nfs/dbraw/zinc/00/29/98/538002998.db2.gz FVPGBYSZPUVLTQ-UHFFFAOYSA-N 1 0 227.695 1.030 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]2CCCCC[C@H]2[S@]1=O ZINC000251794724 362922666 /nfs/dbraw/zinc/92/26/66/362922666.db2.gz NPDIHRQEYUJGBK-PRFIWBCESA-N 1 0 201.335 1.428 10 0 BDAERO CC[C@@]1(C(=O)OC)O[C@]1(C)CC[NH+](C)C ZINC000669382692 538004920 /nfs/dbraw/zinc/00/49/20/538004920.db2.gz JAZQCUHENSBYAJ-MNOVXSKESA-N 1 0 215.293 1.049 10 0 BDAERO CCOC(=O)c1ccc(N[C@H](C)C[NH2+]C)nc1 ZINC000596032683 348427345 /nfs/dbraw/zinc/42/73/45/348427345.db2.gz NOMUJOLYDOAKTP-SECBINFHSA-N 1 0 237.303 1.278 10 0 BDAERO C[NH2+]CCN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000070303601 349991066 /nfs/dbraw/zinc/99/10/66/349991066.db2.gz GPZYUWLPMXRWNL-UHFFFAOYSA-N 1 0 235.331 1.044 10 0 BDAERO Cc1ccnc(N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000335657240 179461479 /nfs/dbraw/zinc/46/14/79/179461479.db2.gz PEZYEWHULDGFSR-QWRGUYRKSA-N 1 0 205.305 1.800 10 0 BDAERO CSC[C@](C)(O)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000597057616 348654264 /nfs/dbraw/zinc/65/42/64/348654264.db2.gz NSVCVIRPCBWMDJ-QJPTWQEYSA-N 1 0 245.388 1.258 10 0 BDAERO Cc1cnc(NC[C@H]2CCC[NH2+]C2)s1 ZINC000107213386 179636725 /nfs/dbraw/zinc/63/67/25/179636725.db2.gz MUIURFPCRMAEJN-VIFPVBQESA-N 1 0 211.334 1.863 10 0 BDAERO Cc1cncc(C[NH2+]CC2CCOCC2)c1 ZINC000122873642 179673147 /nfs/dbraw/zinc/67/31/47/179673147.db2.gz BXIGJAKLCQLJBS-UHFFFAOYSA-N 1 0 220.316 1.906 10 0 BDAERO CCN1C[C@@]2(C[C@H]2[NH3+])c2cc(C)ccc21 ZINC000725247532 538013023 /nfs/dbraw/zinc/01/30/23/538013023.db2.gz PKPQMTHWKAGMQP-OLZOCXBDSA-N 1 0 202.301 1.804 10 0 BDAERO O[C@H](C[NH2+]C1CC1)C(Cl)(Cl)Cl ZINC000669383835 538012025 /nfs/dbraw/zinc/01/20/25/538012025.db2.gz YWHPYIBDUWTWSW-RXMQYKEDSA-N 1 0 218.511 1.470 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC3)CC[C@H]12 ZINC000669383844 538012617 /nfs/dbraw/zinc/01/26/17/538012617.db2.gz ZCUFYCHLXJLSLK-GRYCIOLGSA-N 1 0 222.332 1.372 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCc1cccc(F)c1 ZINC000054072334 348888248 /nfs/dbraw/zinc/88/82/48/348888248.db2.gz HNMJDLKVJWJDCS-SECBINFHSA-N 1 0 224.279 1.092 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000054074504 348889489 /nfs/dbraw/zinc/88/94/89/348889489.db2.gz YTKSHZYEQFIFNV-SFYZADRCSA-N 1 0 238.253 1.395 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000308860909 348908495 /nfs/dbraw/zinc/90/84/95/348908495.db2.gz BJUSGAACETWPSN-GZMMTYOYSA-N 1 0 229.682 1.950 10 0 BDAERO CCC[C@@H](C)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000669384813 538018243 /nfs/dbraw/zinc/01/82/43/538018243.db2.gz HLJLVLUVXGXFPF-MXWKQRLJSA-N 1 0 212.337 1.666 10 0 BDAERO CN(Cc1ccccn1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306129 348979155 /nfs/dbraw/zinc/97/91/55/348979155.db2.gz QBZSGBGWMISRLH-LBPRGKRZSA-N 1 0 247.342 1.430 10 0 BDAERO Cc1cccnc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054305772 348979195 /nfs/dbraw/zinc/97/91/95/348979195.db2.gz DFGIKLYJCVRJLY-LLVKDONJSA-N 1 0 233.315 1.718 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1ccccc1 ZINC000054290205 348962159 /nfs/dbraw/zinc/96/21/59/348962159.db2.gz RGYNZCCKLDTCRE-CQSZACIVSA-N 1 0 246.354 1.735 10 0 BDAERO CC1(C)CN(C(=O)C[C@H]2CCC[NH2+]C2)CCO1 ZINC000054290949 348962812 /nfs/dbraw/zinc/96/28/12/348962812.db2.gz KBEBGXNMUGVXCN-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F)C1CC1 ZINC000616573468 349071041 /nfs/dbraw/zinc/07/10/41/349071041.db2.gz YOVSYYGDDQPJHF-JGVFFNPUSA-N 1 0 236.237 1.053 10 0 BDAERO Cc1ncc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000397909815 362937876 /nfs/dbraw/zinc/93/78/76/362937876.db2.gz CLOHVWGDCDAQKE-PWSUYJOCSA-N 1 0 235.331 1.652 10 0 BDAERO C/C=C/C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000616571825 349061194 /nfs/dbraw/zinc/06/11/94/349061194.db2.gz NQWYYPFRIVWJDD-SNAWJCMRSA-N 1 0 224.348 1.786 10 0 BDAERO C[C@H](C(=O)N[C@]12CC[C@H]1C[NH2+]C2)C(C)(C)C ZINC000616572796 349063535 /nfs/dbraw/zinc/06/35/35/349063535.db2.gz OVPUZDVGWNROKW-NRUUGDAUSA-N 1 0 224.348 1.537 10 0 BDAERO [NH3+][C@H]1CC[C@@H](NC(=O)Cc2ccccc2)CC1 ZINC000616572852 349063900 /nfs/dbraw/zinc/06/39/00/349063900.db2.gz PSKVDRWVQVFDEE-BETUJISGSA-N 1 0 232.327 1.615 10 0 BDAERO C/C=C(\C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000616572335 349065997 /nfs/dbraw/zinc/06/59/97/349065997.db2.gz ROJZEPYPNMYRPS-HJUGMNLHSA-N 1 0 208.305 1.306 10 0 BDAERO CO[C@@]1(COc2cccc(F)c2)CC[NH2+]C1 ZINC000616577750 349119290 /nfs/dbraw/zinc/11/92/90/349119290.db2.gz IMJGMYSGOXQTIC-LBPRGKRZSA-N 1 0 225.263 1.583 10 0 BDAERO CCC[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000616578794 349127126 /nfs/dbraw/zinc/12/71/26/349127126.db2.gz QCURNGHIGKOWQM-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO Cc1csc(CNC[C@H]2CC[NH2+]C2)n1 ZINC000062117094 179777538 /nfs/dbraw/zinc/77/75/38/179777538.db2.gz VNKUJZDYFMNKME-VIFPVBQESA-N 1 0 211.334 1.151 10 0 BDAERO Cc1csc(C[C@@H]([NH3+])Cc2cnn(C)c2)n1 ZINC000055267494 179782229 /nfs/dbraw/zinc/78/22/29/179782229.db2.gz HOIFLCRHLLJHSR-JTQLQIEISA-N 1 0 236.344 1.298 10 0 BDAERO CC(C)(C)[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000616579462 349162668 /nfs/dbraw/zinc/16/26/68/349162668.db2.gz UDFYENLKFDNLER-QWRGUYRKSA-N 1 0 228.405 1.954 10 0 BDAERO COC[C@H](C)CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251781034 349191585 /nfs/dbraw/zinc/19/15/85/349191585.db2.gz MXSSBLODFSUEFT-MCIONIFRSA-N 1 0 240.391 1.828 10 0 BDAERO Cn1c(C(F)F)nc2c1[C@H]([NH3+])CCC2 ZINC000725253302 538036428 /nfs/dbraw/zinc/03/64/28/538036428.db2.gz BTAJZEWMXSLPFT-RXMQYKEDSA-N 1 0 201.220 1.694 10 0 BDAERO O=Cc1ccc2[nH]c3c(c2c1)CC[NH2+]C3 ZINC000725253664 538038995 /nfs/dbraw/zinc/03/89/95/538038995.db2.gz DRXXCIVCZTVQMQ-UHFFFAOYSA-N 1 0 200.241 1.626 10 0 BDAERO Cn1c2c(nc1C(F)(F)F)CCC[C@H]2[NH3+] ZINC000725253809 538039308 /nfs/dbraw/zinc/03/93/08/538039308.db2.gz ZFYHUWUKKFCXNG-RXMQYKEDSA-N 1 0 219.210 1.775 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1[NH3+] ZINC000251768257 490262324 /nfs/dbraw/zinc/26/23/24/490262324.db2.gz UXIFKIAGFWZUNR-ZIQFBCGOSA-N 1 0 222.332 1.228 10 0 BDAERO Cc1nc(C)c([C@@H](C)N2CC[NH2+]CC2)s1 ZINC000036276393 179919025 /nfs/dbraw/zinc/91/90/25/179919025.db2.gz MIYNDSYHGDNDPY-SECBINFHSA-N 1 0 225.361 1.726 10 0 BDAERO Cc1nc(C)n([C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000041062728 179923842 /nfs/dbraw/zinc/92/38/42/179923842.db2.gz RIHBGNHHPMQCAO-MNOVXSKESA-N 1 0 208.309 1.727 10 0 BDAERO C[C@]1(C(=O)NCCC2CCCC2)CCC[NH2+]1 ZINC000070618895 350027257 /nfs/dbraw/zinc/02/72/57/350027257.db2.gz WDNPPQKAZWRSGF-CYBMUJFWSA-N 1 0 224.348 1.825 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)[C@H]1C ZINC000070619249 350029305 /nfs/dbraw/zinc/02/93/05/350029305.db2.gz JMCSXCIZHQUZIG-MDZLAQPJSA-N 1 0 224.348 1.776 10 0 BDAERO CC[C@H]1CCCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000070613372 350029598 /nfs/dbraw/zinc/02/95/98/350029598.db2.gz IHHMDKWMUFYUSE-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO c1[nH]nnc1CCCCCC1CC[NH2+]CC1 ZINC000217888656 350076257 /nfs/dbraw/zinc/07/62/57/350076257.db2.gz BIYIRHQWZSSVEW-UHFFFAOYSA-N 1 0 222.336 1.907 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CNC(=O)NC(C)C ZINC000725254854 538048788 /nfs/dbraw/zinc/04/87/88/538048788.db2.gz GZEMGRXXGUZMJW-IUCAKERBSA-N 1 0 201.314 1.067 10 0 BDAERO C[NH+](C)CCn1cc(Br)ccc1=O ZINC000071515040 350110316 /nfs/dbraw/zinc/11/03/16/350110316.db2.gz MTXKRDJYXQHKEL-UHFFFAOYSA-N 1 0 245.120 1.172 10 0 BDAERO Cc1nc(N2CCN(C)CC2)sc1[C@H](C)[NH3+] ZINC000054864199 180002157 /nfs/dbraw/zinc/00/21/57/180002157.db2.gz NZMXXTOTWRFATG-QMMMGPOBSA-N 1 0 240.376 1.223 10 0 BDAERO C[C@@H](Cc1ccccc1)N1CC[C@@H]([NH3+])C1 ZINC000218353909 350090334 /nfs/dbraw/zinc/09/03/34/350090334.db2.gz VYCJCYWDYQWLCA-WCQYABFASA-N 1 0 204.317 1.651 10 0 BDAERO Cc1nc([C@@H](C)N2CC[NH2+]CC2)sc1C ZINC000049820233 180036086 /nfs/dbraw/zinc/03/60/86/180036086.db2.gz QZKFCQHVDQRIBU-SECBINFHSA-N 1 0 225.361 1.726 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)NCc1ccccc1 ZINC000051791217 350116011 /nfs/dbraw/zinc/11/60/11/350116011.db2.gz JYERGSIPLQNFMS-DGCLKSJQSA-N 1 0 232.327 1.691 10 0 BDAERO Cc1nc([C@H](C)N2CC[NH2+]CC2)sc1C ZINC000049820235 180046518 /nfs/dbraw/zinc/04/65/18/180046518.db2.gz QZKFCQHVDQRIBU-VIFPVBQESA-N 1 0 225.361 1.726 10 0 BDAERO Cc1nc([C@H]2CCCO2)sc1C(N)=[NH2+] ZINC000082420670 180056551 /nfs/dbraw/zinc/05/65/51/180056551.db2.gz YALZTBRLBSURFE-ZCFIWIBFSA-N 1 0 211.290 1.587 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSC2)CN1C ZINC000222151102 350129568 /nfs/dbraw/zinc/12/95/68/350129568.db2.gz WLKGKBHQOZYMTO-OPRDCNLKSA-N 1 0 200.351 1.174 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccnn2)C1 ZINC000151728921 538051155 /nfs/dbraw/zinc/05/11/55/538051155.db2.gz YTGGLTZHVHHWHC-SNVBAGLBSA-N 1 0 249.318 1.082 10 0 BDAERO CC(C)C1([NH2+]CCOC[C@H]2CCCO2)CC1 ZINC000382345676 350126244 /nfs/dbraw/zinc/12/62/44/350126244.db2.gz DWGIYLJRQZHEQX-GFCCVEGCSA-N 1 0 227.348 1.960 10 0 BDAERO CO[C@H](C)c1nsc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000304243836 350150343 /nfs/dbraw/zinc/15/03/43/350150343.db2.gz FBIWWNHQPQQVMR-BIIVOSGPSA-N 1 0 244.364 1.783 10 0 BDAERO Cc1[nH+]c2cc(N)ccc2n1C1(CO)CCC1 ZINC000123075541 180082088 /nfs/dbraw/zinc/08/20/88/180082088.db2.gz YJYBBDFUSUYLSY-UHFFFAOYSA-N 1 0 231.299 1.798 10 0 BDAERO CC[C@H]1C[C@H](C(=O)OC)Cc2[nH]c(N)[nH+]c21 ZINC000725256807 538058898 /nfs/dbraw/zinc/05/88/98/538058898.db2.gz ZDDCVSHZGIMUBX-BQBZGAKWSA-N 1 0 223.276 1.221 10 0 BDAERO CCCCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358831 168614314 /nfs/dbraw/zinc/61/43/14/168614314.db2.gz OEPZGCVSGCMPEB-RYUDHWBXSA-N 1 0 224.348 1.920 10 0 BDAERO Cc1nc2sccn2c1C[NH2+][C@@H](C)CO ZINC000037258294 180116999 /nfs/dbraw/zinc/11/69/99/180116999.db2.gz QQHDMRCZSXGKNM-ZETCQYMHSA-N 1 0 225.317 1.175 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCO[C@@H]2C)cn1 ZINC000336767701 180158080 /nfs/dbraw/zinc/15/80/80/180158080.db2.gz TXEHMMHMKVOBPT-KCJUWKMLSA-N 1 0 207.277 1.052 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCC[C@H]2O)s1 ZINC000040998116 180158828 /nfs/dbraw/zinc/15/88/28/180158828.db2.gz ZPKFDDOKUSXGOU-VHSXEESVSA-N 1 0 212.318 1.455 10 0 BDAERO Cc1ncc([C@H]2[C@H]([NH3+])CCCN2C)s1 ZINC000076643711 180175211 /nfs/dbraw/zinc/17/52/11/180175211.db2.gz NJIMDEYKEKJOQF-PSASIEDQSA-N 1 0 211.334 1.546 10 0 BDAERO Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2O)s1 ZINC000084224355 180152749 /nfs/dbraw/zinc/15/27/49/180152749.db2.gz WWBNVVCRDYAQFA-MWLCHTKSSA-N 1 0 226.345 1.702 10 0 BDAERO Cc1nccc(CNCC(C)(C)C[NH+](C)C)n1 ZINC000054789999 180190298 /nfs/dbraw/zinc/19/02/98/180190298.db2.gz CPVDECZPVBWVIS-UHFFFAOYSA-N 1 0 236.363 1.462 10 0 BDAERO Cc1nccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000038037652 180190632 /nfs/dbraw/zinc/19/06/32/180190632.db2.gz JTQUCFAPQMRYOM-MISXGVKJSA-N 1 0 248.374 1.603 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2CCCC[C@@H]2O)n1 ZINC000038037852 180192231 /nfs/dbraw/zinc/19/22/31/180192231.db2.gz NFQGWXDCSGIEER-NEPJUHHUSA-N 1 0 221.304 1.178 10 0 BDAERO Cc1ncccc1C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000335595255 180221586 /nfs/dbraw/zinc/22/15/86/180221586.db2.gz ARDQWANZFYRJGF-AAEUAGOBSA-N 1 0 220.316 1.735 10 0 BDAERO [NH3+]Cc1cc(Cc2ccc(F)cc2)ncn1 ZINC000074111183 350238524 /nfs/dbraw/zinc/23/85/24/350238524.db2.gz FWIRRGCVFKGJNW-UHFFFAOYSA-N 1 0 217.247 1.665 10 0 BDAERO Cc1nccn1CCC[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352659181 180238137 /nfs/dbraw/zinc/23/81/37/180238137.db2.gz MFDSAXNPFKBGAP-STQMWFEESA-N 1 0 237.347 1.427 10 0 BDAERO CC(C)(C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258896 538077241 /nfs/dbraw/zinc/07/72/41/538077241.db2.gz JGGCKLNHMNWBGN-UHFFFAOYSA-N 1 0 222.292 1.012 10 0 BDAERO CC(C)(C)OC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258831 538078071 /nfs/dbraw/zinc/07/80/71/538078071.db2.gz FJUGXCTWHKFRAK-UHFFFAOYSA-N 1 0 238.291 1.374 10 0 BDAERO C[C@@H]([NH3+])CCNc1nc(C2CC2)ns1 ZINC000083670520 350283920 /nfs/dbraw/zinc/28/39/20/350283920.db2.gz NKTCPAYOACAPAN-ZCFIWIBFSA-N 1 0 212.322 1.565 10 0 BDAERO Cc1nccnc1NCC1CC[NH2+]CC1 ZINC000062202144 180276470 /nfs/dbraw/zinc/27/64/70/180276470.db2.gz ADXLRFHNAVDADO-UHFFFAOYSA-N 1 0 206.293 1.197 10 0 BDAERO Cc1nccn1CC[NH2+][C@H]1CCN2CCC[C@H]12 ZINC000049567471 180261211 /nfs/dbraw/zinc/26/12/11/180261211.db2.gz OKCRTYILVNROCO-QWHCGFSZSA-N 1 0 234.347 1.018 10 0 BDAERO Cc1nccn1CCOc1cccc(C(N)=[NH2+])c1 ZINC000049330665 180262857 /nfs/dbraw/zinc/26/28/57/180262857.db2.gz AYXJNLQDXNKFSE-UHFFFAOYSA-N 1 0 244.298 1.555 10 0 BDAERO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](C)O ZINC000194952113 180266552 /nfs/dbraw/zinc/26/65/52/180266552.db2.gz DUZIPQHNXQPPFF-PWSUYJOCSA-N 1 0 223.320 1.037 10 0 BDAERO Cc1nccn1[C@H](C[NH3+])c1cccs1 ZINC000043107019 180271939 /nfs/dbraw/zinc/27/19/39/180271939.db2.gz GTBPPOFBUWIDLH-SECBINFHSA-N 1 0 207.302 1.801 10 0 BDAERO Cc1nccn1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042973151 180272194 /nfs/dbraw/zinc/27/21/94/180272194.db2.gz FFISGXSVGLNHLX-LBPRGKRZSA-N 1 0 219.263 1.879 10 0 BDAERO Cc1ncn(Cc2csc(C[NH3+])n2)c1C ZINC000052593586 180288689 /nfs/dbraw/zinc/28/86/89/180288689.db2.gz RGENTHXIJGSJDG-UHFFFAOYSA-N 1 0 222.317 1.463 10 0 BDAERO Cc1ncn([C@H](c2cnn(C)c2)[C@H](C)[NH3+])c1C ZINC000051925764 180289934 /nfs/dbraw/zinc/28/99/34/180289934.db2.gz LVJAJKGQJFBQTJ-UFBFGSQYSA-N 1 0 233.319 1.170 10 0 BDAERO Cc1ncnc(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000054855056 180290704 /nfs/dbraw/zinc/29/07/04/180290704.db2.gz ROUYNRHOQGEVBF-QMMMGPOBSA-N 1 0 205.305 1.949 10 0 BDAERO Cc1nccnc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000095069445 180279331 /nfs/dbraw/zinc/27/93/31/180279331.db2.gz YKZUVXXQQWXMLU-NXEZZACHSA-N 1 0 206.293 1.467 10 0 BDAERO C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H](CO)C1 ZINC000224470481 350323470 /nfs/dbraw/zinc/32/34/70/350323470.db2.gz JIBJNFSQKLPWIJ-TZMCWYRMSA-N 1 0 219.328 1.932 10 0 BDAERO Cc1ncn(CCC[NH+]2CCCC2)c1C ZINC000120816663 180285511 /nfs/dbraw/zinc/28/55/11/180285511.db2.gz PDDVGPHXYTYAFV-UHFFFAOYSA-N 1 0 207.321 1.986 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cccc(OCCF)c1 ZINC000224774450 350340311 /nfs/dbraw/zinc/34/03/11/350340311.db2.gz NMECLXIIODCCGP-NSHDSACASA-N 1 0 241.262 1.598 10 0 BDAERO Cc1ncoc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000096896389 180296208 /nfs/dbraw/zinc/29/62/08/180296208.db2.gz UGXAPLKNKUSKGK-SECBINFHSA-N 1 0 248.286 1.575 10 0 BDAERO CC1(C(=O)N2CCC3(CCC[C@H]3[NH3+])CC2)CC1 ZINC000725264073 538090673 /nfs/dbraw/zinc/09/06/73/538090673.db2.gz IFRDYMWAGDOFGJ-LLVKDONJSA-N 1 0 236.359 1.907 10 0 BDAERO Cc1ncsc1CC[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000296367047 180308697 /nfs/dbraw/zinc/30/86/97/180308697.db2.gz SJLBOFQNFIPRSP-WDEREUQCSA-N 1 0 240.372 1.839 10 0 BDAERO CC(C)CNC(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000725264473 538091546 /nfs/dbraw/zinc/09/15/46/538091546.db2.gz PNVYXKISNKNRIO-YPMHNXCESA-N 1 0 239.363 1.698 10 0 BDAERO Cc1nn(-c2ccnc(C(N)=[NH2+])c2)c(C)c1C ZINC000061814427 180330517 /nfs/dbraw/zinc/33/05/17/180330517.db2.gz POZKZPFVKFNYEI-UHFFFAOYSA-N 1 0 229.287 1.477 10 0 BDAERO CC(C)NC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725264138 538090761 /nfs/dbraw/zinc/09/07/61/538090761.db2.gz LYUPYMNDRADKCY-LLVKDONJSA-N 1 0 239.363 1.616 10 0 BDAERO CC[C@@]1([NH3+])CCCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000725264250 538090955 /nfs/dbraw/zinc/09/09/55/538090955.db2.gz RRPKJEWHIVOLCS-DGCLKSJQSA-N 1 0 241.379 1.944 10 0 BDAERO Cc1csc(NC[C@@H]2CCC[N@H+]2C)n1 ZINC000226103564 350399954 /nfs/dbraw/zinc/39/99/54/350399954.db2.gz SYTWMHMYBBVFFO-VIFPVBQESA-N 1 0 211.334 1.958 10 0 BDAERO C[C@@H]1C[C@]2(C[N@@H+]1C)NC[C@@H](C)CS2 ZINC000226163217 350404462 /nfs/dbraw/zinc/40/44/62/350404462.db2.gz ICVAWAQBPAHPHQ-BBBLOLIVSA-N 1 0 200.351 1.379 10 0 BDAERO CC(C)C[NH+]1CCN(CC2(O)CCC2)CC1 ZINC000336665101 350425823 /nfs/dbraw/zinc/42/58/23/350425823.db2.gz FJMBOUJMOUIUHR-UHFFFAOYSA-N 1 0 226.364 1.175 10 0 BDAERO Cc1nn(C)cc1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000301907626 180373154 /nfs/dbraw/zinc/37/31/54/180373154.db2.gz CXQQEEQUZJFBHF-ZDUSSCGKSA-N 1 0 248.374 1.445 10 0 BDAERO Cc1nn(C)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000126040926 180374979 /nfs/dbraw/zinc/37/49/79/180374979.db2.gz XDSDWYPWBGLSMG-NWDGAFQWSA-N 1 0 223.320 1.122 10 0 BDAERO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc[nH]1 ZINC000020351341 180378859 /nfs/dbraw/zinc/37/88/59/180378859.db2.gz PAAPBHUCMVSJOC-SECBINFHSA-N 1 0 218.304 1.907 10 0 BDAERO Cn1cc(C(N)=[NH2+])c(-c2cccs2)n1 ZINC000409437118 350480282 /nfs/dbraw/zinc/48/02/82/350480282.db2.gz DTJPAKDIGAPQSQ-UHFFFAOYSA-N 1 0 206.274 1.433 10 0 BDAERO Cc1nn(C)cc1[C@@H](O)[C@H]([NH3+])CC(C)C ZINC000082373218 180381872 /nfs/dbraw/zinc/38/18/72/180381872.db2.gz NKRKBLMQAFCGBU-GHMZBOCLSA-N 1 0 211.309 1.135 10 0 BDAERO O=Cc1cccc(-c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000725265491 538093324 /nfs/dbraw/zinc/09/33/24/538093324.db2.gz HSWWNUZEIOZZKT-UHFFFAOYSA-N 1 0 227.267 1.535 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2cccnn2)CC1 ZINC000616593023 350493158 /nfs/dbraw/zinc/49/31/58/350493158.db2.gz IFPVZXVQCXHUKL-LBPRGKRZSA-N 1 0 221.304 1.648 10 0 BDAERO Cc1nnc(-n2ncc3c2CCC[C@H]3[NH3+])s1 ZINC000072415762 180396257 /nfs/dbraw/zinc/39/62/57/180396257.db2.gz UCHWELRUZWMICL-MRVPVSSYSA-N 1 0 235.316 1.368 10 0 BDAERO Cc1nn(CC[NH2+]C[C@H]2CCOC2)c(C)c1C ZINC000053540360 180388496 /nfs/dbraw/zinc/38/84/96/180388496.db2.gz RXURGYMIVRRANE-CYBMUJFWSA-N 1 0 237.347 1.434 10 0 BDAERO Cc1nn(C[C@H]2CCCO2)c(C)c1C[NH3+] ZINC000053338483 180390763 /nfs/dbraw/zinc/39/07/63/180390763.db2.gz MJGQGCPDBVCAMC-SNVBAGLBSA-N 1 0 209.293 1.138 10 0 BDAERO COC[C@H]([NH3+])[C@@H]1SCCS[C@@H]1C ZINC000228105298 350528735 /nfs/dbraw/zinc/52/87/35/350528735.db2.gz PYWNQNQTFZFNFA-GJMOJQLCSA-N 1 0 207.364 1.197 10 0 BDAERO Cc1nnc(C[C@@H](C)[NH3+])n1C1CCCCC1 ZINC000042039497 180417231 /nfs/dbraw/zinc/41/72/31/180417231.db2.gz DBDYJUCGHIQMFR-SECBINFHSA-N 1 0 222.336 1.981 10 0 BDAERO Cc1nnc(N[C@H](C)CCCC[NH3+])nc1C ZINC000309481794 180436674 /nfs/dbraw/zinc/43/66/74/180436674.db2.gz WULMNUCXGQRSGQ-MRVPVSSYSA-N 1 0 223.324 1.418 10 0 BDAERO CCOC(=O)c1ccccc1[C@H]1CC[NH2+]CCO1 ZINC000616593933 350586334 /nfs/dbraw/zinc/58/63/34/350586334.db2.gz NDMHZWSSSMFOHX-CYBMUJFWSA-N 1 0 249.310 1.914 10 0 BDAERO CC(C)(C)[NH2+]CC[C@H](CO)[C@H]1COC(C)(C)O1 ZINC000725267333 538098039 /nfs/dbraw/zinc/09/80/39/538098039.db2.gz ZKHAGRDYXVZNJZ-GHMZBOCLSA-N 1 0 245.363 1.525 10 0 BDAERO Cc1noc(C)c1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000040177209 180464981 /nfs/dbraw/zinc/46/49/81/180464981.db2.gz BCTSVTUMGFISHE-SECBINFHSA-N 1 0 208.261 1.474 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@H]1c1cncnc1 ZINC000616598301 350658957 /nfs/dbraw/zinc/65/89/57/350658957.db2.gz OLNCXGPBXUKBKH-LBPRGKRZSA-N 1 0 221.304 1.648 10 0 BDAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@H](C)O)C12CCC2 ZINC000309526139 350703454 /nfs/dbraw/zinc/70/34/54/350703454.db2.gz CPYVOWWSIVTQFP-IRCOFANPSA-N 1 0 227.348 1.551 10 0 BDAERO CC[N@@H+]1CCOCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616599062 350710642 /nfs/dbraw/zinc/71/06/42/350710642.db2.gz WJWICXCGYQGSFO-ZDUSSCGKSA-N 1 0 248.326 1.569 10 0 BDAERO [NH3+]CCN1CCCOC[C@@H]1c1cccc(F)c1 ZINC000616598630 350679885 /nfs/dbraw/zinc/67/98/85/350679885.db2.gz FVYGZXKUFYTWHE-CYBMUJFWSA-N 1 0 238.306 1.548 10 0 BDAERO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C1CSC1 ZINC000401281431 362975367 /nfs/dbraw/zinc/97/53/67/362975367.db2.gz GGYRUWVWZAPCRO-CIUDSAMLSA-N 1 0 200.351 1.173 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339563604 350765965 /nfs/dbraw/zinc/76/59/65/350765965.db2.gz NGSLPKUPLXJNMA-SDDRHHMPSA-N 1 0 215.337 1.504 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339563599 350766064 /nfs/dbraw/zinc/76/60/64/350766064.db2.gz NGSLPKUPLXJNMA-GRYCIOLGSA-N 1 0 215.337 1.504 10 0 BDAERO CC1(C)C[NH2+]C[C@@H](COc2ccccc2)O1 ZINC000238853401 350775524 /nfs/dbraw/zinc/77/55/24/350775524.db2.gz JQGXNISTJBQAFH-LBPRGKRZSA-N 1 0 221.300 1.832 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1cncc2ccccc21 ZINC000616600707 350779370 /nfs/dbraw/zinc/77/93/70/350779370.db2.gz ATXYZHQQKLHEBD-CQSZACIVSA-N 1 0 227.311 1.811 10 0 BDAERO CCN1CC[NH2+][C@H](c2ccccc2CCO)C1 ZINC000616600708 350779549 /nfs/dbraw/zinc/77/95/49/350779549.db2.gz AWCZMEZUUHZEDJ-AWEZNQCLSA-N 1 0 234.343 1.188 10 0 BDAERO OCC[N@@H+]1CCCOC[C@@H]1c1cccc(F)c1 ZINC000616600055 350779709 /nfs/dbraw/zinc/77/97/09/350779709.db2.gz ZKBXAJDUSOGZCZ-CYBMUJFWSA-N 1 0 239.290 1.581 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1cccc2nnccc21 ZINC000616603804 350790055 /nfs/dbraw/zinc/79/00/55/350790055.db2.gz QSPYLBBKFMHVQZ-CQSZACIVSA-N 1 0 242.326 1.596 10 0 BDAERO CC(C)[N@@H+]1CCN[C@H](c2ccccc2CCO)C1 ZINC000616601995 350790977 /nfs/dbraw/zinc/79/09/77/350790977.db2.gz KOABZNASZFCDES-HNNXBMFYSA-N 1 0 248.370 1.576 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2cccc(NC(C)=O)c2)C1 ZINC000616602278 350791016 /nfs/dbraw/zinc/79/10/16/350791016.db2.gz ZFZKTYZRDPCHJV-CQSZACIVSA-N 1 0 247.342 1.611 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1ccc2ccncc2c1 ZINC000616604070 350792783 /nfs/dbraw/zinc/79/27/83/350792783.db2.gz JNAPZVBNDWEUFR-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C[C@H](C)O ZINC000306674298 350823005 /nfs/dbraw/zinc/82/30/05/350823005.db2.gz QCONZSAGQGFNEB-LPEHRKFASA-N 1 0 246.351 1.259 10 0 BDAERO C[N@@H+]1CCC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616606359 350797590 /nfs/dbraw/zinc/79/75/90/350797590.db2.gz CVGXOCQJWZVLFJ-LLVKDONJSA-N 1 0 204.273 1.552 10 0 BDAERO Nc1ccc([C@H]2CCCN2CC[NH3+])cc1 ZINC000616607788 350801958 /nfs/dbraw/zinc/80/19/58/350801958.db2.gz MNSJWGBGEARMPH-GFCCVEGCSA-N 1 0 205.305 1.364 10 0 BDAERO OCC[N@@H+]1CCC[C@H]1c1ccc2nnccc2c1 ZINC000616608307 350804728 /nfs/dbraw/zinc/80/47/28/350804728.db2.gz RSADBSDCXRUGLQ-AWEZNQCLSA-N 1 0 243.310 1.759 10 0 BDAERO OCCc1ccccc1[C@@H]1CC[N@@H+](CCO)C1 ZINC000616614364 350832039 /nfs/dbraw/zinc/83/20/39/350832039.db2.gz LCXGOTILQJERGI-CYBMUJFWSA-N 1 0 235.327 1.003 10 0 BDAERO OCC[N@@H+]1CC[C@@H](c2cccc3nnccc32)C1 ZINC000616614631 350836436 /nfs/dbraw/zinc/83/64/36/350836436.db2.gz SZLXKYXHJLWPGB-LLVKDONJSA-N 1 0 243.310 1.411 10 0 BDAERO Nc1cccc([C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000616615906 350852800 /nfs/dbraw/zinc/85/28/00/350852800.db2.gz FJYLXMUIWKTXGY-NSHDSACASA-N 1 0 221.304 1.183 10 0 BDAERO [NH3+]CCN1CCCC[C@H]1c1ccncc1 ZINC000616616741 350855997 /nfs/dbraw/zinc/85/59/97/350855997.db2.gz WPNWUDKEFYYMGS-LBPRGKRZSA-N 1 0 205.305 1.567 10 0 BDAERO CCOC(=O)N1CCC[C@@H](c2c[nH]cn2)C1 ZINC000616616956 350858636 /nfs/dbraw/zinc/85/86/36/350858636.db2.gz BGIWLKSFNUNMMV-SECBINFHSA-N 1 0 223.276 1.746 10 0 BDAERO Cc1cc(CN(C)CC[N@H+](C)CCO)cs1 ZINC000623090286 350858671 /nfs/dbraw/zinc/85/86/71/350858671.db2.gz HFQNGTAXROPQLX-UHFFFAOYSA-N 1 0 242.388 1.412 10 0 BDAERO CC[C@H]1CCC[C@@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623090932 350862215 /nfs/dbraw/zinc/86/22/15/350862215.db2.gz GNJPTWYJKQXIFY-UONOGXRCSA-N 1 0 242.407 1.811 10 0 BDAERO C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1C/C=C/Cl ZINC000252556876 350913264 /nfs/dbraw/zinc/91/32/64/350913264.db2.gz MARYJQRKVKWCEV-HSVGSZACSA-N 1 0 200.713 1.279 10 0 BDAERO CC(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=S)C1 ZINC000252840245 350916567 /nfs/dbraw/zinc/91/65/67/350916567.db2.gz BNNVLYOMBFCWBT-RKDXNWHRSA-N 1 0 200.351 1.639 10 0 BDAERO CNc1cccc([C@H]2CCC[N@H+](CCO)C2)c1 ZINC000616617878 350877537 /nfs/dbraw/zinc/87/75/37/350877537.db2.gz MIZCGMNCUNVYGH-ZDUSSCGKSA-N 1 0 234.343 1.900 10 0 BDAERO C[C@@H]1CCC[C@](O)(C[NH2+]C2CSC2)C1 ZINC000306720524 350879115 /nfs/dbraw/zinc/87/91/15/350879115.db2.gz ZPIUXSJRCSLAEE-MWLCHTKSSA-N 1 0 215.362 1.633 10 0 BDAERO FC1(F)CC[C@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000306719925 350880624 /nfs/dbraw/zinc/88/06/24/350880624.db2.gz YUBIZBSUHCJMJC-IUCAKERBSA-N 1 0 204.264 1.516 10 0 BDAERO CNc1ccccc1[C@H]1CCC[N@H+](CCO)C1 ZINC000616618256 350884646 /nfs/dbraw/zinc/88/46/46/350884646.db2.gz UKKYWOWRDPKXDP-LBPRGKRZSA-N 1 0 234.343 1.900 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C2CCS(=O)CC2)[C@@H]1C ZINC000306722255 350889628 /nfs/dbraw/zinc/88/96/28/350889628.db2.gz FPDDPHOKIVFPDP-VLRKLCNJSA-N 1 0 215.362 1.532 10 0 BDAERO [NH3+][C@@H]1CCC[C@](O)(Cc2cncs2)C1 ZINC000159676196 350963426 /nfs/dbraw/zinc/96/34/26/350963426.db2.gz JHFMQMDZSGABDE-PSASIEDQSA-N 1 0 212.318 1.318 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](F)CN1Cc1ccccc1 ZINC000306755366 350967971 /nfs/dbraw/zinc/96/79/71/350967971.db2.gz ORRHJFKSGZLNGY-NEPJUHHUSA-N 1 0 208.280 1.558 10 0 BDAERO [NH3+][C@@H](Cc1cncs1)c1ncccn1 ZINC000159710377 350981718 /nfs/dbraw/zinc/98/17/18/350981718.db2.gz IKBFFJLJILKXPP-QMMMGPOBSA-N 1 0 206.274 1.176 10 0 BDAERO CC[C@H]1CN(Cc2cncs2)CC[NH2+]1 ZINC000159806208 351003839 /nfs/dbraw/zinc/00/38/39/351003839.db2.gz KXASSECEGHKBMQ-VIFPVBQESA-N 1 0 211.334 1.327 10 0 BDAERO Cc1occc1-c1nc(CN2CC[NH2+]CC2)no1 ZINC000104058575 180535960 /nfs/dbraw/zinc/53/59/60/180535960.db2.gz WTYAUZZIEKXTHJ-UHFFFAOYSA-N 1 0 248.286 1.043 10 0 BDAERO Cc1cnccc1CC[NH2+]CC(C)(C)O ZINC000397634797 350955746 /nfs/dbraw/zinc/95/57/46/350955746.db2.gz IIBJTIUCUIBCPI-UHFFFAOYSA-N 1 0 208.305 1.293 10 0 BDAERO Nc1ncc([C@@H](F)[C@H]2CCC[NH2+]C2)s1 ZINC000159898875 351023594 /nfs/dbraw/zinc/02/35/94/351023594.db2.gz ZBILBYBDFJIOOS-XPUUQOCRSA-N 1 0 215.297 1.736 10 0 BDAERO C[C@](O)([C@H]1CCC[NH2+]1)C(F)(F)Br ZINC000306772884 351010607 /nfs/dbraw/zinc/01/06/07/351010607.db2.gz HURLVIICUYRDJW-RITPCOANSA-N 1 0 244.079 1.477 10 0 BDAERO CS[C@@H](C)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000122366992 362993536 /nfs/dbraw/zinc/99/35/36/362993536.db2.gz XUPBNZGZNZUHFN-DTWKUNHWSA-N 1 0 218.366 1.228 10 0 BDAERO C[N@@H+]1CCC[C@H](c2ccccc2C(N)=O)CC1 ZINC000616630150 351101550 /nfs/dbraw/zinc/10/15/50/351101550.db2.gz XGDJIUOSEYALJF-NSHDSACASA-N 1 0 232.327 1.985 10 0 BDAERO [NH3+]CCN1CCCC[C@@H](OC(F)(F)F)C1 ZINC000616630800 351103635 /nfs/dbraw/zinc/10/36/35/351103635.db2.gz UQCZITLTZQCUND-MRVPVSSYSA-N 1 0 226.242 1.336 10 0 BDAERO c1n[nH]cc1[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616631634 351106285 /nfs/dbraw/zinc/10/62/85/351106285.db2.gz DMJIMCGHGJIWGP-AWEZNQCLSA-N 1 0 242.326 1.556 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2ccc(N)cc2)C1 ZINC000616631878 351109432 /nfs/dbraw/zinc/10/94/32/351109432.db2.gz HXYLZXNLWXKBDJ-GFCCVEGCSA-N 1 0 205.305 1.235 10 0 BDAERO c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)c[nH]1 ZINC000616632385 351111227 /nfs/dbraw/zinc/11/12/27/351111227.db2.gz OBUFAJDDUGDTEA-AWEZNQCLSA-N 1 0 242.326 1.556 10 0 BDAERO CCN1CC[NH2+]C[C@H]1c1ccc(CCO)cc1 ZINC000616636546 351126726 /nfs/dbraw/zinc/12/67/26/351126726.db2.gz DPABWUTUCGSSRV-AWEZNQCLSA-N 1 0 234.343 1.188 10 0 BDAERO COCc1ccccc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079513261 351067903 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206.289 1.865 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@H](CCO)C1 ZINC000616650051 351173619 /nfs/dbraw/zinc/17/36/19/351173619.db2.gz RHPSKQZYRRTMJZ-SNVBAGLBSA-N 1 0 201.310 1.258 10 0 BDAERO CNc1ccccc1[C@H]1CN(CC[NH3+])CCO1 ZINC000616647570 351173982 /nfs/dbraw/zinc/17/39/82/351173982.db2.gz VLHRECVCNVDNLP-CYBMUJFWSA-N 1 0 235.331 1.060 10 0 BDAERO CC[N@@H+]1CCCO[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616649473 351178580 /nfs/dbraw/zinc/17/85/80/351178580.db2.gz KNBOSVHVJAFNOX-ZDUSSCGKSA-N 1 0 248.326 1.569 10 0 BDAERO CC[N@@H+]1CCCO[C@H](Nc2ccccn2)C1 ZINC000616649916 351179810 /nfs/dbraw/zinc/17/98/10/351179810.db2.gz PTBPYRJNRPKMLK-LBPRGKRZSA-N 1 0 221.304 1.562 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1ccccc1CCO ZINC000616649655 351179905 /nfs/dbraw/zinc/17/99/05/351179905.db2.gz PTUQVXONXLMQKY-AWEZNQCLSA-N 1 0 235.327 1.615 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2cocn2)C1 ZINC000616654045 351194432 /nfs/dbraw/zinc/19/44/32/351194432.db2.gz KJHNQTKIPVPENF-SNVBAGLBSA-N 1 0 210.277 1.236 10 0 BDAERO 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[NH3+]CCN1C[C@@H](c2ncc[nH]2)Cc2ccccc21 ZINC000616673093 351240500 /nfs/dbraw/zinc/24/05/00/351240500.db2.gz VDAWYRUOOUSOSK-LBPRGKRZSA-N 1 0 242.326 1.515 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@H]1CN(C)CCO1 ZINC000616676823 351241637 /nfs/dbraw/zinc/24/16/37/351241637.db2.gz MQJRNNHRFMWAEI-SECBINFHSA-N 1 0 230.308 1.141 10 0 BDAERO NC(=O)N1CC[C@H](CC[NH3+])c2ccccc21 ZINC000616675223 351243137 /nfs/dbraw/zinc/24/31/37/351243137.db2.gz LBWZHXLQLBSTLJ-VIFPVBQESA-N 1 0 219.288 1.408 10 0 BDAERO CN1CCO[C@@H](c2cccc3ccnnc32)C1 ZINC000616678361 351246248 /nfs/dbraw/zinc/24/62/48/351246248.db2.gz ZPOPAGKEYWCMLC-GFCCVEGCSA-N 1 0 229.283 1.633 10 0 BDAERO Nc1cccc([C@H]2[NH2+]CCc3ccccc32)n1 ZINC000616681254 351248395 /nfs/dbraw/zinc/24/83/95/351248395.db2.gz XLZYQEDKKQKJRF-AWEZNQCLSA-N 1 0 225.295 1.899 10 0 BDAERO [NH3+]CCN1C[C@H](c2conn2)Nc2ccccc21 ZINC000616682341 351252883 /nfs/dbraw/zinc/25/28/83/351252883.db2.gz AALLTVPUSVKARW-SNVBAGLBSA-N 1 0 245.286 1.002 10 0 BDAERO 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CC(C)(C)[N@@H+]1CCOC[C@H](c2cnno2)C1 ZINC000616659156 351206225 /nfs/dbraw/zinc/20/62/25/351206225.db2.gz HNSCTKLYSOLDKM-SECBINFHSA-N 1 0 225.292 1.284 10 0 BDAERO CC[N@@H+]1CCOC[C@@H](c2cccc(N)n2)C1 ZINC000616661878 351211543 /nfs/dbraw/zinc/21/15/43/351211543.db2.gz UIGVIQXYGNIANO-JTQLQIEISA-N 1 0 221.304 1.100 10 0 BDAERO CC[N@@H+]1CCOC[C@H](c2ccncc2)C1 ZINC000616660633 351212455 /nfs/dbraw/zinc/21/24/55/351212455.db2.gz OTGIAVIKRAHFJA-GFCCVEGCSA-N 1 0 206.289 1.517 10 0 BDAERO c1cc2ccnnc2c([C@@H]2CC[NH2+]CCO2)c1 ZINC000616664088 351215616 /nfs/dbraw/zinc/21/56/16/351215616.db2.gz NRUDKBRTVWHHFL-LBPRGKRZSA-N 1 0 229.283 1.681 10 0 BDAERO OC[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616663657 351216278 /nfs/dbraw/zinc/21/62/78/351216278.db2.gz WCLSFRPOOQLAPJ-CYBMUJFWSA-N 1 0 221.300 1.270 10 0 BDAERO CC[N@@H+]1CCOC[C@H](c2cccc(N)c2)C1 ZINC000616662009 351216724 /nfs/dbraw/zinc/21/67/24/351216724.db2.gz YOVGCPKWWMSKNP-GFCCVEGCSA-N 1 0 220.316 1.705 10 0 BDAERO [NH3+][C@H]1CCN(Cc2ccccc2)CCO1 ZINC000616662267 351217508 /nfs/dbraw/zinc/21/75/08/351217508.db2.gz FTKCJNPLAALKOC-GFCCVEGCSA-N 1 0 206.289 1.194 10 0 BDAERO c1ccc2cc([C@@H]3C[NH2+]CCOC3)ncc2c1 ZINC000616664155 351217814 /nfs/dbraw/zinc/21/78/14/351217814.db2.gz WKFFCRQOUHLNNE-CYBMUJFWSA-N 1 0 228.295 1.938 10 0 BDAERO CC(=O)Nc1ccc([C@@H]2C[NH2+]CCOC2)cc1 ZINC000616662766 351219304 /nfs/dbraw/zinc/21/93/04/351219304.db2.gz LMSYXNYEDCZTDS-GFCCVEGCSA-N 1 0 234.299 1.348 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2cncnc2)CC1 ZINC000616666218 351225969 /nfs/dbraw/zinc/22/59/69/351225969.db2.gz LFOUIKYWQXKBRW-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO CN1C[C@H](C[NH2+]C[C@@]2(C)CCCS2)CC1=O ZINC000628341895 351285566 /nfs/dbraw/zinc/28/55/66/351285566.db2.gz WAWBGMTWTDZIGZ-CMPLNLGQSA-N 1 0 242.388 1.340 10 0 BDAERO CCC[NH2+]Cc1c(C)nn(C)c1N(C)C ZINC000034824247 351292886 /nfs/dbraw/zinc/29/28/86/351292886.db2.gz YVWLZQLKBQADEG-UHFFFAOYSA-N 1 0 210.325 1.294 10 0 BDAERO CC1(C)C[C@H]([NH3+])CCN(CC(F)F)C1 ZINC000306888495 351295299 /nfs/dbraw/zinc/29/52/99/351295299.db2.gz WEDQOTFXGPTDOZ-MRVPVSSYSA-N 1 0 206.280 1.701 10 0 BDAERO OCC1CC([NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628352325 351315413 /nfs/dbraw/zinc/31/54/13/351315413.db2.gz DXCIBVDCMMCOGG-UHFFFAOYSA-N 1 0 243.310 1.490 10 0 BDAERO [NH3+]C1CC(CNc2ncc(Cl)cn2)C1 ZINC000168159176 351324299 /nfs/dbraw/zinc/32/42/99/351324299.db2.gz DAWVXECRFANNLF-UHFFFAOYSA-N 1 0 212.684 1.279 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1CN=S(C)(C)=O ZINC000306880484 351273413 /nfs/dbraw/zinc/27/34/13/351273413.db2.gz FXPZBQIOWQGKLV-RKDXNWHRSA-N 1 0 204.339 1.102 10 0 BDAERO CC(C)(C[NH3+])Oc1cncc(Cl)c1 ZINC000168062819 351278123 /nfs/dbraw/zinc/27/81/23/351278123.db2.gz YIWGIPVJVXRGPH-UHFFFAOYSA-N 1 0 200.669 1.851 10 0 BDAERO CC[C@@H]1C[NH+]=C(NCc2ncon2)S1 ZINC000231842750 351404944 /nfs/dbraw/zinc/40/49/44/351404944.db2.gz MEBPRWXKDCNNNN-ZCFIWIBFSA-N 1 0 212.278 1.041 10 0 BDAERO C[C@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000306953427 351380239 /nfs/dbraw/zinc/38/02/39/351380239.db2.gz 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BDAERO C[C@H](CO)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000252727561 538101105 /nfs/dbraw/zinc/10/11/05/538101105.db2.gz ISNPOGMORXJGBD-RWMBFGLXSA-N 1 0 226.364 1.173 10 0 BDAERO CC[NH2+][C@@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000637884900 351754388 /nfs/dbraw/zinc/75/43/88/351754388.db2.gz HTWPIIIIZNBMNV-BDAKNGLRSA-N 1 0 226.345 1.923 10 0 BDAERO C[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1cccs1 ZINC000637886540 351756972 /nfs/dbraw/zinc/75/69/72/351756972.db2.gz QZEQNVGWISOBOI-PSASIEDQSA-N 1 0 236.340 1.973 10 0 BDAERO CC[N@@H+]1CC[C@@](O)(c2csc(C)n2)C1 ZINC000307250776 351770531 /nfs/dbraw/zinc/77/05/31/351770531.db2.gz PWFVZXIASZNSCJ-JTQLQIEISA-N 1 0 212.318 1.365 10 0 BDAERO [NH3+]C1(CC2CC(F)(F)C2)CCOCC1 ZINC000307252384 351770982 /nfs/dbraw/zinc/77/09/82/351770982.db2.gz SCDVGWRWEJJNIQ-UHFFFAOYSA-N 1 0 205.248 1.930 10 0 BDAERO [NH3+]CCNc1c(Cl)ccc(F)c1F ZINC000307273575 351826897 /nfs/dbraw/zinc/82/68/97/351826897.db2.gz XEGDVQOPACVPLP-UHFFFAOYSA-N 1 0 206.623 1.989 10 0 BDAERO 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[NH3+]C[C@@H]1CCC[C@H]1Nc1ncnc2[nH]ccc21 ZINC000420205627 192174423 /nfs/dbraw/zinc/17/44/23/192174423.db2.gz RVXLSEYVHXEWKE-WCBMZHEXSA-N 1 0 231.303 1.497 10 0 BDAERO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000638281601 352116098 /nfs/dbraw/zinc/11/60/98/352116098.db2.gz SBIVCWQAEDAIFD-RKDXNWHRSA-N 1 0 225.292 1.158 10 0 BDAERO CNC(=[NH2+])N1CCC[C@@H](SC)CC1 ZINC000300919398 363119803 /nfs/dbraw/zinc/11/98/03/363119803.db2.gz YOGKZQLUVSJJRF-MRVPVSSYSA-N 1 0 201.339 1.358 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC(CCOC)CC1 ZINC000638463049 352274660 /nfs/dbraw/zinc/27/46/60/352274660.db2.gz CIERSMZNFGGLQR-GFCCVEGCSA-N 1 0 242.363 1.389 10 0 BDAERO COC1CCC(NC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000638445585 352254624 /nfs/dbraw/zinc/25/46/24/352254624.db2.gz OTCNYIAPNIVPFV-HTAVTVPLSA-N 1 0 242.363 1.434 10 0 BDAERO C1CNC(S[C@H]2CCCOC2)=[NH+]C1 ZINC000307352440 352280969 /nfs/dbraw/zinc/28/09/69/352280969.db2.gz LWOJSMWIHDNQKE-QMMMGPOBSA-N 1 0 200.307 1.248 10 0 BDAERO 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CCCN(CC(C)C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638597522 352429149 /nfs/dbraw/zinc/42/91/49/352429149.db2.gz YUHPMUIFLAGMFV-GFCCVEGCSA-N 1 0 242.363 1.117 10 0 BDAERO Cc1ncccc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638601742 352434694 /nfs/dbraw/zinc/43/46/94/352434694.db2.gz PDYIUWDLLFHPAK-ZYHUDNBSSA-N 1 0 233.315 1.134 10 0 BDAERO Cc1ncccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000638601740 352434721 /nfs/dbraw/zinc/43/47/21/352434721.db2.gz PDYIUWDLLFHPAK-JQWIXIFHSA-N 1 0 233.315 1.134 10 0 BDAERO Cc1ncccc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000638601427 352436922 /nfs/dbraw/zinc/43/69/22/352436922.db2.gz NLVVYUXAVJEXSQ-YPMHNXCESA-N 1 0 247.342 1.381 10 0 BDAERO C[C@@H]1CS[C@H]2[C@H](C)O[C@@H](C)C[C@@H]2[NH2+]1 ZINC000252163185 363187578 /nfs/dbraw/zinc/18/75/78/363187578.db2.gz QCGQNGACKBUUIZ-MBGOZMDMSA-N 1 0 201.335 1.646 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC[C@@H]2CC=CCC2)C1 ZINC000638602542 352438719 /nfs/dbraw/zinc/43/87/19/352438719.db2.gz WYZQLNINEJMEHO-JHJVBQTASA-N 1 0 236.359 1.976 10 0 BDAERO C[C@@H]1CNCC[N@@H+]1[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271975 538103702 /nfs/dbraw/zinc/10/37/02/538103702.db2.gz XNHQVISHWSSWMF-BJJPWKGXSA-N 1 0 236.359 1.238 10 0 BDAERO CC[C@@H]1C[S@](=O)C[C@H]([C@@H]2C[C@H]2C)[NH2+]1 ZINC000307362519 352447856 /nfs/dbraw/zinc/44/78/56/352447856.db2.gz IYXPYBQITRYAFY-ACDNLYMZSA-N 1 0 201.335 1.142 10 0 BDAERO CCC(=O)Nc1ccc2[nH]c(C[NH3+])nc2c1 ZINC000725271775 538103745 /nfs/dbraw/zinc/10/37/45/538103745.db2.gz SKCCDTUQKPBLPH-UHFFFAOYSA-N 1 0 218.260 1.370 10 0 BDAERO C[C@@H]1C[C@H](C)[C@@H]2[C@H](C1)[NH2+]CC[S@@]2=O ZINC000252170186 363188338 /nfs/dbraw/zinc/18/83/38/363188338.db2.gz RAVMZZIGJWTCJX-ASKWGEHWSA-N 1 0 201.335 1.142 10 0 BDAERO C[C@H]1SCCC[C@@H]1[NH2+]C1CN(C)C1 ZINC000307380013 352477367 /nfs/dbraw/zinc/47/73/67/352477367.db2.gz ZMAHJDGYDSGAFZ-SCZZXKLOSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(N)=S ZINC000307388879 352548366 /nfs/dbraw/zinc/54/83/66/352548366.db2.gz PDSBVGQMLHVJFN-ZYHUDNBSSA-N 1 0 249.383 1.340 10 0 BDAERO Cn1ccnc1S[C@@H](C[NH3+])C(C)(C)C ZINC000043297355 180753983 /nfs/dbraw/zinc/75/39/83/180753983.db2.gz BNAOCQWCIYTWHF-QMMMGPOBSA-N 1 0 213.350 1.886 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2cnnc(Cl)c2)C1 ZINC000229125064 352591332 /nfs/dbraw/zinc/59/13/32/352591332.db2.gz ZTEGDALSLUMUCL-ZETCQYMHSA-N 1 0 212.684 1.246 10 0 BDAERO C[C@@H]1C[C@@H]1[C@H]1C[S@@](=O)CC(C)(C)[NH2+]1 ZINC000307418627 352591573 /nfs/dbraw/zinc/59/15/73/352591573.db2.gz GQUKIWMWRXAYFH-LOKDSWTASA-N 1 0 201.335 1.142 10 0 BDAERO CC[N@H+](Cc1ccccc1)[C@H]1CCOC[C@@H]1O ZINC000725272650 538104447 /nfs/dbraw/zinc/10/44/47/538104447.db2.gz JAKGMLDXMIZYLG-KBPBESRZSA-N 1 0 235.327 1.658 10 0 BDAERO C[C@@H](c1cscn1)N(C)[C@@H]1CC[NH2+]C1 ZINC000229146708 352606274 /nfs/dbraw/zinc/60/62/74/352606274.db2.gz IIJUKABKRNSKKF-DTWKUNHWSA-N 1 0 211.334 1.498 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000232306433 352612070 /nfs/dbraw/zinc/61/20/70/352612070.db2.gz 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PGSLXECJLNPBKA-MNOVXSKESA-N 1 0 215.362 1.898 10 0 BDAERO CC[C@@]([NH3+])(c1nccs1)[C@@H]1CCOC1 ZINC000307539142 352643291 /nfs/dbraw/zinc/64/32/91/352643291.db2.gz UCCPMEFNURZSFJ-SCZZXKLOSA-N 1 0 212.318 1.744 10 0 BDAERO [NH3+]CCCNc1ccc(O)c(Cl)c1 ZINC000232391160 352649230 /nfs/dbraw/zinc/64/92/30/352649230.db2.gz BPUHDDYKUNXCTD-UHFFFAOYSA-N 1 0 200.669 1.806 10 0 BDAERO CSCCN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000307560439 352650194 /nfs/dbraw/zinc/65/01/94/352650194.db2.gz HNTDCLXIQIIPIA-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO C[C@H]1C[NH2+][C@]2(COCC2(C)C)SC1 ZINC000307570714 352658350 /nfs/dbraw/zinc/65/83/50/352658350.db2.gz CGYZRYIQNMWBFA-WCBMZHEXSA-N 1 0 201.335 1.712 10 0 BDAERO C[C@H]1C[NH2+][C@@]2(CCOC2(C)C)SC1 ZINC000307574107 352658503 /nfs/dbraw/zinc/65/85/03/352658503.db2.gz GUCRBSPYMSMIPY-WPRPVWTQSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1ncc(Cl)cn1 ZINC000307604466 352668543 /nfs/dbraw/zinc/66/85/43/352668543.db2.gz WERAALBNJUWMTG-RITPCOANSA-N 1 0 200.673 1.278 10 0 BDAERO [NH3+][C@@H]1CCO[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000307485407 352620663 /nfs/dbraw/zinc/62/06/63/352620663.db2.gz UIQMWXWZYAGYQA-KGLIPLIRSA-N 1 0 243.310 1.720 10 0 BDAERO [NH3+][C@H]1CCO[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000307485406 352620796 /nfs/dbraw/zinc/62/07/96/352620796.db2.gz UIQMWXWZYAGYQA-KBPBESRZSA-N 1 0 243.310 1.720 10 0 BDAERO Cc1nnsc1CO[C@H]1CCC[C@@H]1[NH3+] ZINC000307500006 352626740 /nfs/dbraw/zinc/62/67/40/352626740.db2.gz MEXFHMLUOGVALT-YUMQZZPRSA-N 1 0 213.306 1.243 10 0 BDAERO N#CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000307630559 352712437 /nfs/dbraw/zinc/71/24/37/352712437.db2.gz YMTWWHXMTRZOPI-AWEZNQCLSA-N 1 0 229.327 1.969 10 0 BDAERO C[C@H]1COCC[C@]1(C[NH3+])NCc1ccccc1 ZINC000307615746 352674459 /nfs/dbraw/zinc/67/44/59/352674459.db2.gz QWLHZIJNGVUXMP-GXTWGEPZSA-N 1 0 234.343 1.530 10 0 BDAERO Brc1cccnc1C[C@H]1CC[NH2+]C1 ZINC000307618700 352676826 /nfs/dbraw/zinc/67/68/26/352676826.db2.gz ZWYOPIXMKJALKC-MRVPVSSYSA-N 1 0 241.132 1.996 10 0 BDAERO 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CC(=O)N(CCC[NH3+])c1ccccc1C ZINC000020232444 188005481 /nfs/dbraw/zinc/00/54/81/188005481.db2.gz SNPHRJFTIJNYGO-UHFFFAOYSA-N 1 0 206.289 1.697 10 0 BDAERO NC(=S)[C@H]1CCC[N@@H+]1[C@H]1CCSC1 ZINC000405225449 353146448 /nfs/dbraw/zinc/14/64/48/353146448.db2.gz CWKKMBDVCVUHME-JGVFFNPUSA-N 1 0 216.375 1.242 10 0 BDAERO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(N)=S)C1 ZINC000229417560 353151858 /nfs/dbraw/zinc/15/18/58/353151858.db2.gz CQRZTMRGEAONOY-HRDYMLBCSA-N 1 0 200.351 1.639 10 0 BDAERO C[NH2+][C@@H]1CSC[C@@H]1[C@@H]1CCSC1 ZINC000405254783 353151886 /nfs/dbraw/zinc/15/18/86/353151886.db2.gz KCEGRLZHKGFEHQ-IWSPIJDZSA-N 1 0 203.376 1.691 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@]12C[C@@H]1CCCC2 ZINC000638975159 353180140 /nfs/dbraw/zinc/18/01/40/353180140.db2.gz XKEYVDWALDEBMC-OBJOEFQTSA-N 1 0 236.359 1.825 10 0 BDAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638999304 353246605 /nfs/dbraw/zinc/24/66/05/353246605.db2.gz YVELNTAGEOQTQU-CKYFFXLPSA-N 1 0 224.348 1.537 10 0 BDAERO 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C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000309100406 538117651 /nfs/dbraw/zinc/11/76/51/538117651.db2.gz FLRWCPCIURDNEW-OUAUKWLOSA-N 1 0 210.321 1.291 10 0 BDAERO CN1CCC[N@@H+]([C@H]2CCCCC2=O)CC1 ZINC000252424263 363239362 /nfs/dbraw/zinc/23/93/62/363239362.db2.gz GEZDPYKAXWZOOA-NSHDSACASA-N 1 0 210.321 1.136 10 0 BDAERO [NH3+]C[C@@]1([C@@H]2CCSC2)CCCCO1 ZINC000405511747 353727109 /nfs/dbraw/zinc/72/71/09/353727109.db2.gz TUDOQDLKGCPQRL-NXEZZACHSA-N 1 0 201.335 1.638 10 0 BDAERO Fc1ccccc1CC[NH2+]Cc1ccncn1 ZINC000054788615 181011799 /nfs/dbraw/zinc/01/17/99/181011799.db2.gz LSCYNYHJXXKRMG-UHFFFAOYSA-N 1 0 231.274 1.948 10 0 BDAERO Fc1ccccc1C[NH2+]CCc1c[nH]cn1 ZINC000045946335 181012652 /nfs/dbraw/zinc/01/26/52/181012652.db2.gz BMTRRMFWPYBJDM-UHFFFAOYSA-N 1 0 219.263 1.881 10 0 BDAERO Fc1ccccc1OCC[NH2+]C[C@H]1CCOC1 ZINC000053566096 181014133 /nfs/dbraw/zinc/01/41/33/181014133.db2.gz VEGFDPWSGMDKOY-LLVKDONJSA-N 1 0 239.290 1.831 10 0 BDAERO CC[C@](C)(C[NH3+])N1C[C@H](C)OC[C@H]1C ZINC000252448499 363255691 /nfs/dbraw/zinc/25/56/91/363255691.db2.gz XFRVCCYHDIGNSV-OUAUKWLOSA-N 1 0 200.326 1.223 10 0 BDAERO CCC[C@@H](CC)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004618 491056091 /nfs/dbraw/zinc/05/60/91/491056091.db2.gz YWDWHZHRGQZOFI-CHWSQXEVSA-N 1 0 228.380 1.875 10 0 BDAERO CCN1CCO[C@H](C[NH2+]CCCC(C)C)C1 ZINC000086004517 491056097 /nfs/dbraw/zinc/05/60/97/491056097.db2.gz RRQWBLIDZJJKPA-CYBMUJFWSA-N 1 0 228.380 1.733 10 0 BDAERO CN1C(=O)N(c2ccccc2)[C@@H]2CC[NH2+]C[C@H]21 ZINC000606303200 353858455 /nfs/dbraw/zinc/85/84/55/353858455.db2.gz MHYBVVIIDYZOEK-VXGBXAGGSA-N 1 0 231.299 1.289 10 0 BDAERO C[C@@H]1CN(Cc2ncccc2Cl)C[C@@H]1C[NH3+] ZINC000630078546 363279204 /nfs/dbraw/zinc/27/92/04/363279204.db2.gz UKPVXFWPXOJACA-ZJUUUORDSA-N 1 0 239.750 1.762 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1Sc1nncs1 ZINC000252469759 363284025 /nfs/dbraw/zinc/28/40/25/363284025.db2.gz XIIXKTLWJUDWLJ-FSDSQADBSA-N 1 0 215.347 1.756 10 0 BDAERO CS[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113230060 354298194 /nfs/dbraw/zinc/29/81/94/354298194.db2.gz CPUKALQSGNIJST-GMTAPVOTSA-N 1 0 242.388 1.433 10 0 BDAERO CC(C)[N@H+](C)[C@@]1(CN)CCOC[C@@H]1C ZINC000301044367 363372354 /nfs/dbraw/zinc/37/23/54/363372354.db2.gz XOTPTLXSRWKWAS-WDEREUQCSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000334748375 354473141 /nfs/dbraw/zinc/47/31/41/354473141.db2.gz YQNWCZNQIIKTRY-GXFFZTMASA-N 1 0 245.326 1.766 10 0 BDAERO CC(C)CCOCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232567107 363376508 /nfs/dbraw/zinc/37/65/08/363376508.db2.gz UQLOBSZIVYAOOG-NEPJUHHUSA-N 1 0 214.353 1.328 10 0 BDAERO CCOC(=O)C[N@H+](CC)C[C@H]1CCC[C@H](O)C1 ZINC000383662239 354805860 /nfs/dbraw/zinc/80/58/60/354805860.db2.gz JRMQZMLVPFEXOI-RYUDHWBXSA-N 1 0 243.347 1.423 10 0 BDAERO CC(C)c1nccnc1NCC1=CC[N@H+](C)CC1 ZINC000413232165 191364861 /nfs/dbraw/zinc/36/48/61/191364861.db2.gz TUYQWFDUYBYZGU-UHFFFAOYSA-N 1 0 246.358 1.696 10 0 BDAERO CC(C)c1nccnc1NC[C@H](C)C[NH+](C)C ZINC000413300737 191370006 /nfs/dbraw/zinc/37/00/06/191370006.db2.gz JSQYIRQLRVHTLM-NSHDSACASA-N 1 0 236.363 1.632 10 0 BDAERO C[C@@H]1C[C@H](N2CC[C@@](C)([NH3+])C2)CS1 ZINC000405791921 355295548 /nfs/dbraw/zinc/29/55/48/355295548.db2.gz LIVXMBNHOHICAI-KXUCPTDWSA-N 1 0 200.351 1.304 10 0 BDAERO C[NH2+][C@@H]1CO[C@H](C)[C@H]1[C@H]1CCSC1 ZINC000405824013 355320379 /nfs/dbraw/zinc/32/03/79/355320379.db2.gz PIGFNCYAOQAGNE-RGOKHQFPSA-N 1 0 201.335 1.362 10 0 BDAERO NC(=[NH2+])NCCc1cccc(Br)c1 ZINC000071551273 181189905 /nfs/dbraw/zinc/18/99/05/181189905.db2.gz LRNRHBLBAOEIRU-UHFFFAOYSA-N 1 0 242.120 1.475 10 0 BDAERO NC(=[NH2+])[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000095642229 181191944 /nfs/dbraw/zinc/19/19/44/181191944.db2.gz CXXFSPLXQQBIJP-NSHDSACASA-N 1 0 247.298 1.724 10 0 BDAERO NC(=[NH2+])[C@@H](O)c1ccccc1Br ZINC000033805017 181192180 /nfs/dbraw/zinc/19/21/80/181192180.db2.gz BTHUFTNYVHCVAF-ZETCQYMHSA-N 1 0 229.077 1.418 10 0 BDAERO NC(=[NH2+])c1ccc(COC[C@@H]2CCOC2)cc1 ZINC000049690346 181193691 /nfs/dbraw/zinc/19/36/91/181193691.db2.gz HNKZPAXPHQPVKY-LLVKDONJSA-N 1 0 234.299 1.524 10 0 BDAERO NC(=[NH2+])c1cccnc1N(CCO)C1CCCC1 ZINC000042508041 181196429 /nfs/dbraw/zinc/19/64/29/181196429.db2.gz PAWHGURVTNAEEK-UHFFFAOYSA-N 1 0 248.330 1.107 10 0 BDAERO NC(=[NH2+])c1ccc(Sc2nncs2)nc1 ZINC000019863572 181195077 /nfs/dbraw/zinc/19/50/77/181195077.db2.gz HFEUUZOXKQKMFJ-UHFFFAOYSA-N 1 0 237.313 1.368 10 0 BDAERO NC(=[NH2+])c1cccnc1Oc1ccccc1CO ZINC000104340482 181196142 /nfs/dbraw/zinc/19/61/42/181196142.db2.gz AEKRLEIJVKGEJO-UHFFFAOYSA-N 1 0 243.266 1.650 10 0 BDAERO [NH2+]=C(Nc1ccc(Cl)nn1)N1CCCC1 ZINC000253570668 181200076 /nfs/dbraw/zinc/20/00/76/181200076.db2.gz NXRJUPOWSAINJL-UHFFFAOYSA-N 1 0 225.683 1.572 10 0 BDAERO [NH2+]=C(N[C@H]1CN2CCC1CC2)c1ccccc1 ZINC000062989190 181200181 /nfs/dbraw/zinc/20/01/81/181200181.db2.gz LSLFLPNCRHVRSO-ZDUSSCGKSA-N 1 0 229.327 1.696 10 0 BDAERO [NH2+]=C(NO)c1cnc2[nH]ccc2c1Cl ZINC000095937280 181200302 /nfs/dbraw/zinc/20/03/02/181200302.db2.gz NRLYPRWBRFUQPI-UHFFFAOYSA-N 1 0 210.624 1.520 10 0 BDAERO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCC1(O)CC1 ZINC000329945018 181205463 /nfs/dbraw/zinc/20/54/63/181205463.db2.gz IUVRDWNVRGOICN-AXFHLTTASA-N 1 0 238.331 1.537 10 0 BDAERO CCC(=O)CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398762104 355756787 /nfs/dbraw/zinc/75/67/87/355756787.db2.gz APLXPELPSWKZLV-OBJOEFQTSA-N 1 0 239.359 1.839 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC000398761836 355756957 /nfs/dbraw/zinc/75/69/57/355756957.db2.gz CHUINDQKJLKNBU-BFHYXJOUSA-N 1 0 232.327 1.674 10 0 BDAERO [NH2+]=C1c2ccccc2CN1CCN1CCOCC1 ZINC000020078829 181208310 /nfs/dbraw/zinc/20/83/10/181208310.db2.gz JOIVQINQGDUKJE-UHFFFAOYSA-N 1 0 245.326 1.160 10 0 BDAERO CC[C@](C)(C[NH2+]C1CC(CO)C1)OC ZINC000639334624 355765086 /nfs/dbraw/zinc/76/50/86/355765086.db2.gz HNUAUCXGMRVYNU-VQXHTEKXSA-N 1 0 201.310 1.162 10 0 BDAERO NC(=O)C1([NH2+]C2CCCC2)CCSCC1 ZINC000041048802 181214105 /nfs/dbraw/zinc/21/41/05/181214105.db2.gz AVDRYVWRONJHRK-UHFFFAOYSA-N 1 0 228.361 1.270 10 0 BDAERO CO[C@@H](C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000389200948 355849606 /nfs/dbraw/zinc/84/96/06/355849606.db2.gz DIPILBAPAXMZBQ-UWVGGRQHSA-N 1 0 203.326 1.408 10 0 BDAERO C[C@H]1C[C@H]([NH2+]Cc2cccs2)CN1C ZINC000129681830 355867481 /nfs/dbraw/zinc/86/74/81/355867481.db2.gz ITWANVIRMGPACJ-UWVGGRQHSA-N 1 0 210.346 1.930 10 0 BDAERO NC(=O)CC[N@@H+]1CCCc2ccccc2C1 ZINC000062945094 181224008 /nfs/dbraw/zinc/22/40/08/181224008.db2.gz CBRGTGQGZOOHER-UHFFFAOYSA-N 1 0 218.300 1.310 10 0 BDAERO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000216233255 355952122 /nfs/dbraw/zinc/95/21/22/355952122.db2.gz VOELEUOGEUXWRA-IJLUTSLNSA-N 1 0 229.364 1.941 10 0 BDAERO COCCCCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000389326344 355966843 /nfs/dbraw/zinc/96/68/43/355966843.db2.gz JPMIGIBPIWTVFS-LLVKDONJSA-N 1 0 217.353 1.800 10 0 BDAERO NC(=O)CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000036747028 181225419 /nfs/dbraw/zinc/22/54/19/181225419.db2.gz KHQDBJKFINFACQ-CYBMUJFWSA-N 1 0 232.327 1.919 10 0 BDAERO NC(=O)CCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732562 181226490 /nfs/dbraw/zinc/22/64/90/181226490.db2.gz JHCQNKJXGXAERV-GFCCVEGCSA-N 1 0 234.299 1.277 10 0 BDAERO NC(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000037255036 181250642 /nfs/dbraw/zinc/25/06/42/181250642.db2.gz XFINGTZYJIAUAH-UHFFFAOYSA-N 1 0 225.336 1.309 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1c(F)cccc1Cl ZINC000020577951 181245073 /nfs/dbraw/zinc/24/50/73/181245073.db2.gz QVHDRXNWNLCUEH-ZETCQYMHSA-N 1 0 216.643 1.354 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc(Br)s1 ZINC000020578247 181245511 /nfs/dbraw/zinc/24/55/11/181245511.db2.gz ZUYPCNFWCUIZFA-BYPYZUCNSA-N 1 0 249.133 1.386 10 0 BDAERO NC(=O)[C@@H]([NH2+]CC1CC1)c1ccccc1Cl ZINC000038000922 181264791 /nfs/dbraw/zinc/26/47/91/181264791.db2.gz HHFFNSNEQTYVQY-NSHDSACASA-N 1 0 238.718 1.866 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCC1)C1CCCCC1 ZINC000037968740 181265033 /nfs/dbraw/zinc/26/50/33/181265033.db2.gz RJYIEXHMMKCYPZ-LBPRGKRZSA-N 1 0 224.348 1.953 10 0 BDAERO Cc1cncc(C(=O)[C@](C)([NH3+])C2CC2)c1 ZINC000168574198 356424068 /nfs/dbraw/zinc/42/40/68/356424068.db2.gz ZKNXBEZQAOPVJN-GFCCVEGCSA-N 1 0 204.273 1.700 10 0 BDAERO Cc1ccncc1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000168586573 356425490 /nfs/dbraw/zinc/42/54/90/356425490.db2.gz NYBCMMISPIMLBF-LBPRGKRZSA-N 1 0 204.273 1.700 10 0 BDAERO Cn1cccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000140073049 356453696 /nfs/dbraw/zinc/45/36/96/356453696.db2.gz DTBFCEWYALMPKK-NSHDSACASA-N 1 0 207.321 1.196 10 0 BDAERO NC(=O)[C@@]([NH3+])(c1ccc(Cl)cc1)C1CC1 ZINC000037678107 181275886 /nfs/dbraw/zinc/27/58/86/181275886.db2.gz OFUQKUQHFJPZPT-NSHDSACASA-N 1 0 224.691 1.389 10 0 BDAERO CCCCN(C)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019477860 168764237 /nfs/dbraw/zinc/76/42/37/168764237.db2.gz ISAOZBAKVRUPII-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO Cc1oncc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421000445 192296340 /nfs/dbraw/zinc/29/63/40/192296340.db2.gz CPZPJFYEAYRXLZ-KWQFWETISA-N 1 0 210.277 1.328 10 0 BDAERO CC[C@@H]([NH2+]Cc1ncn(C)n1)[C@@H]1CC1(C)C ZINC000397689072 363483687 /nfs/dbraw/zinc/48/36/87/363483687.db2.gz WMGTVVADAIIDNI-VHSXEESVSA-N 1 0 222.336 1.729 10 0 BDAERO Cc1nccnc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000639676860 356585078 /nfs/dbraw/zinc/58/50/78/356585078.db2.gz ALLKJRMOIDVLRL-RWMBFGLXSA-N 1 0 247.342 1.378 10 0 BDAERO COc1cccnc1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000630091490 363510003 /nfs/dbraw/zinc/51/00/03/363510003.db2.gz HILCHVDEEPNSKK-UWVGGRQHSA-N 1 0 221.304 1.643 10 0 BDAERO C[C@@H]1C[C@@H](C)C[NH+](Cc2c(C[NH3+])cnn2C)C1 ZINC000675056919 538479396 /nfs/dbraw/zinc/47/93/96/538479396.db2.gz ZCPIPWXDXZFFRV-GHMZBOCLSA-N 1 0 236.363 1.357 10 0 BDAERO COc1cccc([C@H]2CO[C@H](C[NH3+])C2)c1 ZINC000675058453 538481405 /nfs/dbraw/zinc/48/14/05/538481405.db2.gz HDMXNDBGAOLCNR-PWSUYJOCSA-N 1 0 207.273 1.526 10 0 BDAERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](CO)O1 ZINC000675059221 538484343 /nfs/dbraw/zinc/48/43/43/538484343.db2.gz MGFMKRBRPRYLBC-SDDRHHMPSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]([C@@H]2CCCS(=O)(=O)C2)C1 ZINC000675059246 538484402 /nfs/dbraw/zinc/48/44/02/538484402.db2.gz FATPORRAWPANHJ-HBNTYKKESA-N 1 0 231.361 1.057 10 0 BDAERO O=C(NC[C@]12C[C@H](C[NH2+]1)CCC2)C1CC1 ZINC000675051201 538474044 /nfs/dbraw/zinc/47/40/44/538474044.db2.gz DNCNWRWGJPMVEN-SKDRFNHKSA-N 1 0 208.305 1.045 10 0 BDAERO [NH3+]C[C@]12C[C@H](CN1C(=O)C1CCCC1)CCC2 ZINC000675051489 538474776 /nfs/dbraw/zinc/47/47/76/538474776.db2.gz MEMJJTYYQYDOMF-RISCZKNCSA-N 1 0 236.359 1.907 10 0 BDAERO CC1(C(=O)N(C2CCC2)C2CC[NH2+]CC2)CC1 ZINC000675055395 538475145 /nfs/dbraw/zinc/47/51/45/538475145.db2.gz SDTPIOLTRFETCS-UHFFFAOYSA-N 1 0 236.359 1.920 10 0 BDAERO O=C(CC1CC1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675056211 538477520 /nfs/dbraw/zinc/47/75/20/538477520.db2.gz LTVNYFDKWNEXEX-DGCLKSJQSA-N 1 0 222.332 1.435 10 0 BDAERO CCC[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056341 538478156 /nfs/dbraw/zinc/47/81/56/538478156.db2.gz IGLGOXSTFKBVBF-UHFFFAOYSA-N 1 0 231.361 1.343 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCO[C@](CC)(C[NH3+])C1 ZINC000675059934 538484940 /nfs/dbraw/zinc/48/49/40/538484940.db2.gz YKGVRVNUTMLQSP-DGCLKSJQSA-N 1 0 242.363 1.389 10 0 BDAERO CCCc1c[nH+]c(NN)c2cncnc12 ZINC000675063491 538490096 /nfs/dbraw/zinc/49/00/96/538490096.db2.gz GIOAAAVYRPINCL-UHFFFAOYSA-N 1 0 203.249 1.263 10 0 BDAERO O=C1NCCC[NH2+][C@H]1C(C1CCC1)C1CCC1 ZINC000675067996 538495809 /nfs/dbraw/zinc/49/58/09/538495809.db2.gz LTKQZJYNKUFKFZ-ZDUSSCGKSA-N 1 0 236.359 1.681 10 0 BDAERO CC(C)(C)OC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC000675069493 538498749 /nfs/dbraw/zinc/49/87/49/538498749.db2.gz HRFXXLQDQRBUCG-QMMMGPOBSA-N 1 0 237.303 1.632 10 0 BDAERO C[C@H]([NH3+])CCNc1ncc(Cl)cn1 ZINC000168055241 134155755 /nfs/dbraw/zinc/15/57/55/134155755.db2.gz PXHRGHUYJRPWGF-LURJTMIESA-N 1 0 200.673 1.279 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675070636 538500738 /nfs/dbraw/zinc/50/07/38/538500738.db2.gz QWWJNUHPJXAOBM-CLPYTZEMSA-N 1 0 238.375 1.912 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675070637 538500914 /nfs/dbraw/zinc/50/09/14/538500914.db2.gz QWWJNUHPJXAOBM-QWQWKMKNSA-N 1 0 238.375 1.912 10 0 BDAERO CC(C)NC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675070818 538501333 /nfs/dbraw/zinc/50/13/33/538501333.db2.gz SVBHSPLSSLNNTG-CHWFTXMASA-N 1 0 225.336 1.067 10 0 BDAERO CCOC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000675070418 538501589 /nfs/dbraw/zinc/50/15/89/538501589.db2.gz XYZCHGAAHVRESQ-MXWKQRLJSA-N 1 0 227.304 1.097 10 0 BDAERO [NH3+]Cc1cc2c(F)ccc(F)c2[nH]c1=O ZINC000675070393 538501676 /nfs/dbraw/zinc/50/16/76/538501676.db2.gz XEUJKUOJKKFONK-UHFFFAOYSA-N 1 0 210.183 1.677 10 0 BDAERO CCOC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000675070417 538501937 /nfs/dbraw/zinc/50/19/37/538501937.db2.gz XYZCHGAAHVRESQ-GMTAPVOTSA-N 1 0 227.304 1.097 10 0 BDAERO c1nn2c(c1[C@H]1CCC[NH2+]C1)NCCC2 ZINC000675073161 538505125 /nfs/dbraw/zinc/50/51/25/538505125.db2.gz STRZTEQCLTXODO-VIFPVBQESA-N 1 0 206.293 1.166 10 0 BDAERO Cc1cccc(CC2=C[C@H](N)C[NH2+]C2)c1 ZINC000675076599 538510966 /nfs/dbraw/zinc/51/09/66/538510966.db2.gz DTQYHWYWYJPGRK-ZDUSSCGKSA-N 1 0 202.301 1.394 10 0 BDAERO Cc1ccccc1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675078393 538514835 /nfs/dbraw/zinc/51/48/35/538514835.db2.gz XUOLIVCJMXNRCI-CYBMUJFWSA-N 1 0 203.285 1.428 10 0 BDAERO O[C@@H]1C=C(Cc2ccc(F)cc2)C[NH2+]C1 ZINC000675078150 538514936 /nfs/dbraw/zinc/51/49/36/538514936.db2.gz WKHVIAUFWHWPKV-GFCCVEGCSA-N 1 0 207.248 1.259 10 0 BDAERO N[C@H]1C=C(CCc2cccs2)C[NH2+]C1 ZINC000675078197 538515096 /nfs/dbraw/zinc/51/50/96/538515096.db2.gz NJURCJJDJUIJGN-JTQLQIEISA-N 1 0 208.330 1.538 10 0 BDAERO O[C@H]1C=C(Cc2cncc(Cl)c2)C[NH2+]C1 ZINC000675078604 538516522 /nfs/dbraw/zinc/51/65/22/538516522.db2.gz ZOMAXKOQEAIGRM-NSHDSACASA-N 1 0 224.691 1.168 10 0 BDAERO CO[C@@H]1CCC[C@@H](C2=C[C@H](N)C[NH2+]C2)C1 ZINC000675079079 538517341 /nfs/dbraw/zinc/51/73/41/538517341.db2.gz VRYATGLTLPDFGY-ADEWGFFLSA-N 1 0 210.321 1.049 10 0 BDAERO Cc1ccc(C)c(C2=C[C@H](N)C[NH2+]C2)c1 ZINC000675077409 538512632 /nfs/dbraw/zinc/51/26/32/538512632.db2.gz DSRWXJNBTMAJNG-LBPRGKRZSA-N 1 0 202.301 1.617 10 0 BDAERO O[C@H]1C=C(Cc2csc(Cl)c2)C[NH2+]C1 ZINC000675077010 538512885 /nfs/dbraw/zinc/51/28/85/538512885.db2.gz IKQLOOWPMNVKNX-VIFPVBQESA-N 1 0 229.732 1.835 10 0 BDAERO CC[C@H](C[NH3+])[C@H](O)[C@]1(C)CCCS1 ZINC000382336850 538559883 /nfs/dbraw/zinc/55/98/83/538559883.db2.gz YIEDHGNOUBPBHF-UTLUCORTSA-N 1 0 203.351 1.618 10 0 BDAERO Brc1ccc2c(c1)COC21C[NH2+]C1 ZINC000223551195 356702551 /nfs/dbraw/zinc/70/25/51/356702551.db2.gz NLDGCRBZHFMLHM-UHFFFAOYSA-N 1 0 240.100 1.778 10 0 BDAERO c1nc2c([nH]1)[C@@H](C1CCOCC1)[NH2+]CC2 ZINC000083986701 538525268 /nfs/dbraw/zinc/52/52/68/538525268.db2.gz VHIFVYHPBYZZEA-SNVBAGLBSA-N 1 0 207.277 1.023 10 0 BDAERO CCCOC(=O)C[C@H](C[NH3+])CC(C)C ZINC000083862698 538525494 /nfs/dbraw/zinc/52/54/94/538525494.db2.gz NYYKBBLMUACATG-SNVBAGLBSA-N 1 0 201.310 1.951 10 0 BDAERO Cc1cc(C[NH2+][C@H](C(N)=O)C(C)C)ccc1F ZINC000223960101 538593379 /nfs/dbraw/zinc/59/33/79/538593379.db2.gz XFVIVTGEHQYHPT-LBPRGKRZSA-N 1 0 238.306 1.734 10 0 BDAERO CCN1CCO[C@H]([C@@H]([NH3+])C(C)(C)C)C1 ZINC000226096569 356736360 /nfs/dbraw/zinc/73/63/60/356736360.db2.gz DEJFEZHQKTWWFF-VHSXEESVSA-N 1 0 200.326 1.081 10 0 BDAERO [NH3+]CC[C@H](O)c1ccncc1Br ZINC000216547482 538635776 /nfs/dbraw/zinc/63/57/76/538635776.db2.gz RCCFIPWPKCZDHU-QMMMGPOBSA-N 1 0 231.093 1.226 10 0 BDAERO CCCN(CC(=O)OCC)C[C@@H]1CCC[N@@H+]1C ZINC000387467086 366377807 /nfs/dbraw/zinc/37/78/07/366377807.db2.gz SPCCKGZHKUUMPY-LBPRGKRZSA-N 1 0 242.363 1.356 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)ccn1 ZINC000623374149 356886753 /nfs/dbraw/zinc/88/67/53/356886753.db2.gz XQXLBDRKWWGUSV-QWHCGFSZSA-N 1 0 220.316 1.783 10 0 BDAERO C[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CC1(Cl)Cl ZINC000237485544 356839119 /nfs/dbraw/zinc/83/91/19/356839119.db2.gz BRQQJLPQZZFWPQ-XPUUQOCRSA-N 1 0 237.130 1.130 10 0 BDAERO C[C@]1(CO)C[C@@H](O)C[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000639847868 356845428 /nfs/dbraw/zinc/84/54/28/356845428.db2.gz CYILSHNUPVVYLH-GZBFAFLISA-N 1 0 247.338 1.144 10 0 BDAERO CCOc1cncc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389736327 357021597 /nfs/dbraw/zinc/02/15/97/357021597.db2.gz VCSWUWGEIPBQCQ-UWVGGRQHSA-N 1 0 236.319 1.285 10 0 BDAERO CCOc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)ncn1 ZINC000389729856 357021866 /nfs/dbraw/zinc/02/18/66/357021866.db2.gz OOJWETBTMVFEJM-NXEZZACHSA-N 1 0 236.319 1.285 10 0 BDAERO Cc1csc(NCC2=CC[NH2+]CC2)n1 ZINC000160524187 357035338 /nfs/dbraw/zinc/03/53/38/357035338.db2.gz CEUSOERUVNBAAZ-UHFFFAOYSA-N 1 0 209.318 1.783 10 0 BDAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1cnc2ccccc2n1 ZINC000389693212 357015883 /nfs/dbraw/zinc/01/58/83/357015883.db2.gz ACILYNBVNRBJOW-GWCFXTLKSA-N 1 0 242.326 1.462 10 0 BDAERO CC(=O)c1cnc(C2CC[NH2+]CC2)s1 ZINC000257890615 538771997 /nfs/dbraw/zinc/77/19/97/538771997.db2.gz BBFINPWBWZZOLM-UHFFFAOYSA-N 1 0 210.302 1.813 10 0 BDAERO FC1(C[NH2+]C[C@@H]2CC23CCOCC3)CC1 ZINC000389981755 357076906 /nfs/dbraw/zinc/07/69/06/357076906.db2.gz JIDHXNKVFVCMFW-JTQLQIEISA-N 1 0 213.296 1.895 10 0 BDAERO C[C@H](CCOCc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000389974091 357077040 /nfs/dbraw/zinc/07/70/40/357077040.db2.gz ZURLYTDYHMNAQQ-HIFRSBDPSA-N 1 0 248.370 1.933 10 0 BDAERO c1cc2c(ccnc2NC[C@@H]2C[NH2+]CCCO2)o1 ZINC000390270714 357087891 /nfs/dbraw/zinc/08/78/91/357087891.db2.gz YBFHUEIEFSCIFB-JTQLQIEISA-N 1 0 247.298 1.618 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000258334585 538783887 /nfs/dbraw/zinc/78/38/87/538783887.db2.gz UUYRNVXZKYRAKC-LURJTMIESA-N 1 0 224.251 1.494 10 0 BDAERO CCCCCC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000403997183 357143346 /nfs/dbraw/zinc/14/33/46/357143346.db2.gz LLVLYLLWQAFTBN-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO NC(=O)c1cc(F)ccc1OC[C@@H]1CCC[NH2+]1 ZINC000104230377 181290373 /nfs/dbraw/zinc/29/03/73/181290373.db2.gz KAXHEQUOFJBVFZ-VIFPVBQESA-N 1 0 238.262 1.055 10 0 BDAERO C[C@@]1(O)CC[N@@H+]([C@H]2CCCCCC2=O)C1 ZINC000300032832 357174554 /nfs/dbraw/zinc/17/45/54/357174554.db2.gz RDFLFYSTSMPEAB-CMPLNLGQSA-N 1 0 211.305 1.345 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000157183853 538813965 /nfs/dbraw/zinc/81/39/65/538813965.db2.gz OTHYDMBRJQUHRS-CMPLNLGQSA-N 1 0 212.337 1.537 10 0 BDAERO C[N@@H+]1CCSC[C@H]1[C@H](O)c1ccco1 ZINC000300053104 357180890 /nfs/dbraw/zinc/18/08/90/357180890.db2.gz MURCIXSSVKWMNG-WPRPVWTQSA-N 1 0 213.302 1.360 10 0 BDAERO C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]2)CS1 ZINC000300055021 357180941 /nfs/dbraw/zinc/18/09/41/357180941.db2.gz GNZSMTUOYDKYAH-MXWKQRLJSA-N 1 0 214.378 1.564 10 0 BDAERO O[C@@]1(Cc2nccs2)CCC[NH2+]CC1 ZINC000160706141 357184084 /nfs/dbraw/zinc/18/40/84/357184084.db2.gz VLKNJYGNYHUJJX-JTQLQIEISA-N 1 0 212.318 1.190 10 0 BDAERO NC(=O)c1cc(NC2CC[NH2+]CC2)ccc1F ZINC000038041109 181290691 /nfs/dbraw/zinc/29/06/91/181290691.db2.gz PAQGSGGIRGAPPW-UHFFFAOYSA-N 1 0 237.278 1.089 10 0 BDAERO Cc1cnccc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392898317 357262388 /nfs/dbraw/zinc/26/23/88/357262388.db2.gz RBELEMUOBQAKOT-ZYHUDNBSSA-N 1 0 233.315 1.147 10 0 BDAERO CC(C)[C@@](C)(O)[C@@]1(C[NH3+])CCCOC1 ZINC000218715589 357276853 /nfs/dbraw/zinc/27/68/53/357276853.db2.gz MCAIYAAHONBSNK-GHMZBOCLSA-N 1 0 201.310 1.149 10 0 BDAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CO)CCO1 ZINC000393140394 357277406 /nfs/dbraw/zinc/27/74/06/357277406.db2.gz CAHGGTJIGZVNSE-YFKTTZPYSA-N 1 0 213.321 1.160 10 0 BDAERO CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000394025448 357314886 /nfs/dbraw/zinc/31/48/86/357314886.db2.gz BNVYUEUOVJLCRZ-GHMZBOCLSA-N 1 0 217.353 1.248 10 0 BDAERO CCOc1nccnc1N1CCC[C@@H](C[NH3+])C1 ZINC000582835662 357411828 /nfs/dbraw/zinc/41/18/28/357411828.db2.gz IVZSYSRMRSYHQX-JTQLQIEISA-N 1 0 236.319 1.050 10 0 BDAERO CCN(CC)CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000230379006 357532248 /nfs/dbraw/zinc/53/22/48/357532248.db2.gz QYXOWXWTCRUWMO-ZDUSSCGKSA-N 1 0 228.380 1.565 10 0 BDAERO Cc1cnccc1CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000397547177 357589908 /nfs/dbraw/zinc/58/99/08/357589908.db2.gz VMHAYDCMPRXXQX-CYBMUJFWSA-N 1 0 236.359 1.929 10 0 BDAERO C/C=C(\C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1CC ZINC000685939271 538886186 /nfs/dbraw/zinc/88/61/86/538886186.db2.gz PCRLYVLOCQGGSD-HSHPDBBSSA-N 1 0 210.321 1.457 10 0 BDAERO [NH3+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC000685939345 538886293 /nfs/dbraw/zinc/88/62/93/538886293.db2.gz ZDELQBOOSXFRBU-UHFFFAOYSA-N 1 0 245.244 1.970 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1cccc(C)c1 ZINC000685945876 538886955 /nfs/dbraw/zinc/88/69/55/538886955.db2.gz DIMLXDSJCSIJRV-QWHCGFSZSA-N 1 0 204.317 1.789 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000685946337 538888242 /nfs/dbraw/zinc/88/82/42/538888242.db2.gz PNWZMAFXKUGOPA-VXGBXAGGSA-N 1 0 205.305 1.063 10 0 BDAERO Cc1cc([C@H]2C[NH2+]C[C@@]2(C)N)ccc1F ZINC000685947005 538888583 /nfs/dbraw/zinc/88/85/83/538888583.db2.gz YYDPJUMKHXRHMB-ZYHUDNBSSA-N 1 0 208.280 1.538 10 0 BDAERO CC(C)CC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000685947159 538888623 /nfs/dbraw/zinc/88/86/23/538888623.db2.gz SEHQQHNCCPRHAB-CMPLNLGQSA-N 1 0 210.321 1.372 10 0 BDAERO Cc1cc([C@@H]2C[NH2+]C[C@@]2(C)N)ccc1F ZINC000685946996 538888966 /nfs/dbraw/zinc/88/89/66/538888966.db2.gz YYDPJUMKHXRHMB-CMPLNLGQSA-N 1 0 208.280 1.538 10 0 BDAERO CC(C)C(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000685947354 538889144 /nfs/dbraw/zinc/88/91/44/538889144.db2.gz UXJIZYWWFUOUNK-LLVKDONJSA-N 1 0 224.348 1.762 10 0 BDAERO CC(C)CC(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947768 538889726 /nfs/dbraw/zinc/88/97/26/538889726.db2.gz PUYTYGACZYTJSD-UHFFFAOYSA-N 1 0 212.337 1.809 10 0 BDAERO CCC[C@H](C)C(=O)N1CCC[C@]1(C)C[NH3+] ZINC000685947976 538889780 /nfs/dbraw/zinc/88/97/80/538889780.db2.gz VTURGKFPTRLGJQ-CMPLNLGQSA-N 1 0 212.337 1.762 10 0 BDAERO CC1(C)CC[NH+]([C@H]2CCNC[C@H]2F)CC1 ZINC000685948242 538890250 /nfs/dbraw/zinc/89/02/50/538890250.db2.gz CPXXKMIHTSUWHM-MNOVXSKESA-N 1 0 214.328 1.808 10 0 BDAERO C[N@H+](C1CCCCC1)[C@@H]1CCNC[C@@H]1F ZINC000685948373 538890388 /nfs/dbraw/zinc/89/03/88/538890388.db2.gz KZEKDVNQUXCRPN-NWDGAFQWSA-N 1 0 214.328 1.951 10 0 BDAERO CC(C)(C)OC(=O)[C@@]1(F)C[NH2+]CC12CCC2 ZINC000685948281 538890447 /nfs/dbraw/zinc/89/04/47/538890447.db2.gz GAZKAEISEOVJLQ-LBPRGKRZSA-N 1 0 229.295 1.810 10 0 BDAERO OC[C@H]1CC[N@@H+]([C@@H]2CCOC23CCCC3)C1 ZINC000685948577 538891257 /nfs/dbraw/zinc/89/12/57/538891257.db2.gz CEGMFQVYFACXNO-NWDGAFQWSA-N 1 0 225.332 1.402 10 0 BDAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC1)C2 ZINC000685948993 538891922 /nfs/dbraw/zinc/89/19/22/538891922.db2.gz HNRWSJBGSSVQMS-DCAQKATOSA-N 1 0 208.305 1.125 10 0 BDAERO CCNC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685949407 538892391 /nfs/dbraw/zinc/89/23/91/538892391.db2.gz RJUMMVYYLCDIJQ-MWLCHTKSSA-N 1 0 211.309 1.062 10 0 BDAERO O=C(N[C@]12CC[NH2+][C@H]1CCCC2)C1CCC1 ZINC000685949518 538892661 /nfs/dbraw/zinc/89/26/61/538892661.db2.gz STJQTCGHWSOOAY-WCQYABFASA-N 1 0 222.332 1.577 10 0 BDAERO CC(C)NC(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000685949628 538892913 /nfs/dbraw/zinc/89/29/13/538892913.db2.gz VRDMUZUTAUBDCB-CMPLNLGQSA-N 1 0 225.336 1.450 10 0 BDAERO CC(C)S(=O)(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685949884 538892988 /nfs/dbraw/zinc/89/29/88/538892988.db2.gz ZVYDRJSPCIBXRF-MNOVXSKESA-N 1 0 246.376 1.070 10 0 BDAERO CC[C@@H]1CN(C2[C@H](C)C[NH2+]C[C@H]2C)CCO1 ZINC000685951175 538894478 /nfs/dbraw/zinc/89/44/78/538894478.db2.gz OUYJTOLOOPBFPT-IJLUTSLNSA-N 1 0 226.364 1.341 10 0 BDAERO CCC(=O)CCC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000232870419 357685936 /nfs/dbraw/zinc/68/59/36/357685936.db2.gz BJCYDWNELXZVJK-CYBMUJFWSA-N 1 0 238.375 1.916 10 0 BDAERO CC[NH+](CC)CCCN1[C@H](C)COC[C@H]1C ZINC000191507249 357778153 /nfs/dbraw/zinc/77/81/53/357778153.db2.gz VDBQHIMWZSDLCC-CHWSQXEVSA-N 1 0 228.380 1.828 10 0 BDAERO Cc1ccc(CC[N@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191131496 357753014 /nfs/dbraw/zinc/75/30/14/357753014.db2.gz GRJCCXQJQYQPRQ-UHFFFAOYSA-N 1 0 246.354 1.702 10 0 BDAERO CC(C)[NH2+]CCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000191456590 357771247 /nfs/dbraw/zinc/77/12/47/357771247.db2.gz FPVAPGIFBNJKKX-GFCCVEGCSA-N 1 0 236.363 1.587 10 0 BDAERO COCCCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000234729323 357820842 /nfs/dbraw/zinc/82/08/42/357820842.db2.gz DRXKEMHGHRHBCZ-NWDGAFQWSA-N 1 0 242.363 1.307 10 0 BDAERO Cc1cccc(CCC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235327177 357865966 /nfs/dbraw/zinc/86/59/66/357865966.db2.gz FTWYEESLSPBCGI-OCCSQVGLSA-N 1 0 246.354 1.733 10 0 BDAERO Cc1noc(C)c1CC[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639939991 357950254 /nfs/dbraw/zinc/95/02/54/357950254.db2.gz OLMHJPYLUYDEOT-BXKDBHETSA-N 1 0 238.331 1.679 10 0 BDAERO CCN1CCO[C@H](C[NH2+]C2CCSCC2)C1 ZINC000122784955 363592546 /nfs/dbraw/zinc/59/25/46/363592546.db2.gz FTBBHTXSHOCVLT-GFCCVEGCSA-N 1 0 244.404 1.192 10 0 BDAERO NC(=O)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035160707 357966802 /nfs/dbraw/zinc/96/68/02/357966802.db2.gz IKQRIZFLTUSTLG-UHFFFAOYSA-N 1 0 222.332 1.276 10 0 BDAERO CC(C)(C)OC(=O)Nc1cncc(C[NH3+])c1 ZINC000035569366 358001320 /nfs/dbraw/zinc/00/13/20/358001320.db2.gz OTXAUSMKLLZKEW-UHFFFAOYSA-N 1 0 223.276 1.887 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(C)CCO2)[C@@H](C)C1 ZINC000217764822 134250244 /nfs/dbraw/zinc/25/02/44/134250244.db2.gz VYYNNRXBKCHQBV-RQJABVFESA-N 1 0 240.391 1.731 10 0 BDAERO CCOc1nccnc1N1C[C@@H](C[NH3+])C[C@H]1C ZINC000584581170 358095354 /nfs/dbraw/zinc/09/53/54/358095354.db2.gz BWMYXEFPRYJBAG-NXEZZACHSA-N 1 0 236.319 1.049 10 0 BDAERO CCn1ccnc1C[NH2+]CC[C@@H]1CCCO1 ZINC000051923985 358101581 /nfs/dbraw/zinc/10/15/81/358101581.db2.gz YUHQTZATWHLHCE-NSHDSACASA-N 1 0 223.320 1.562 10 0 BDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1CC1 ZINC000171663864 134257758 /nfs/dbraw/zinc/25/77/58/134257758.db2.gz TUSHVZSMGNKGMR-AWEZNQCLSA-N 1 0 246.354 1.686 10 0 BDAERO CC[C@]1(O)CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000640036910 358136805 /nfs/dbraw/zinc/13/68/05/358136805.db2.gz ZAKHVPLJYDWMNL-IHRRRGAJSA-N 1 0 241.375 1.774 10 0 BDAERO CCOC(=O)CCC[N@@H+]1CCS[C@@H](C)C1 ZINC000171686554 134259854 /nfs/dbraw/zinc/25/98/54/134259854.db2.gz UZCKCOZKNOURNE-JTQLQIEISA-N 1 0 231.361 1.767 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+]C2(CO)CCC2)C12CCC2 ZINC000182440560 535406013 /nfs/dbraw/zinc/40/60/13/535406013.db2.gz BQCWPXCIYNRVQW-VXGBXAGGSA-N 1 0 239.359 1.839 10 0 BDAERO Cc1c(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cnn1C ZINC000163152196 202228224 /nfs/dbraw/zinc/22/82/24/202228224.db2.gz OMFXVLKACRHJIV-MFKMUULPSA-N 1 0 248.374 1.443 10 0 BDAERO COc1ccccc1C(=O)N[C@H]1CC[N@H+](C)C1 ZINC000039386588 358225982 /nfs/dbraw/zinc/22/59/82/358225982.db2.gz AFQLBXRBQFNNED-JTQLQIEISA-N 1 0 234.299 1.129 10 0 BDAERO O=C1c2ccccc2C(=O)N1CCc1c[nH]cn1 ZINC000039625910 358227376 /nfs/dbraw/zinc/22/73/76/358227376.db2.gz JBFMIBDZOYESNV-UHFFFAOYSA-N 1 0 241.250 1.248 10 0 BDAERO 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NC(=O)c1ccc(N[C@H]2CCC[C@H]2[NH3+])c(F)c1 ZINC000063176900 181301342 /nfs/dbraw/zinc/30/13/42/181301342.db2.gz OAAITFYWFGDKQM-KOLCDFICSA-N 1 0 237.278 1.216 10 0 BDAERO CC[C@@H]1CN([C@H]2CSC[C@H]2C)CC[NH2+]1 ZINC000306579014 360465831 /nfs/dbraw/zinc/46/58/31/360465831.db2.gz MPBHQASMSSLJHW-MXWKQRLJSA-N 1 0 214.378 1.422 10 0 BDAERO O[C@]1(c2ccsn2)CC[N@@H+](C2CC2)C1 ZINC000306599508 360520903 /nfs/dbraw/zinc/52/09/03/360520903.db2.gz HRFGVFNPUBIIOZ-SNVBAGLBSA-N 1 0 210.302 1.199 10 0 BDAERO CSC1CCN([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000300838961 360532127 /nfs/dbraw/zinc/53/21/27/360532127.db2.gz LUVICCCHZDZAKD-GHMZBOCLSA-N 1 0 214.378 1.694 10 0 BDAERO [NH2+]=C1N[C@@H](c2cnn(Cc3ccccc3)c2)CO1 ZINC000306604267 360533067 /nfs/dbraw/zinc/53/30/67/360533067.db2.gz YQVRBFFROYKGMP-GFCCVEGCSA-N 1 0 242.282 1.317 10 0 BDAERO O=C1C[C@@H]([NH2+]Cc2ccccc2)[C@H]2CCCN12 ZINC000169380716 360535450 /nfs/dbraw/zinc/53/54/50/360535450.db2.gz MUIWEAMCTVZOIS-CHWSQXEVSA-N 1 0 230.311 1.540 10 0 BDAERO 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NC(=O)c1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000089163322 181303649 /nfs/dbraw/zinc/30/36/49/181303649.db2.gz YBEIVVDXYPXPRP-STQMWFEESA-N 1 0 248.326 1.036 10 0 BDAERO NC(=O)c1ccccc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050810 181306431 /nfs/dbraw/zinc/30/64/31/181306431.db2.gz RHQNJJFIKKZDJY-CMPLNLGQSA-N 1 0 233.315 1.467 10 0 BDAERO NC(=O)c1cccnc1NCC[NH+]1CCCCC1 ZINC000049575301 181307036 /nfs/dbraw/zinc/30/70/36/181307036.db2.gz FWNYIQOHQOSCTE-UHFFFAOYSA-N 1 0 248.330 1.078 10 0 BDAERO CCOC(=O)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000238269316 360769861 /nfs/dbraw/zinc/76/98/61/360769861.db2.gz XJACCJHORRQXAX-VHSXEESVSA-N 1 0 212.293 1.217 10 0 BDAERO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CCF)C(N)=O ZINC000309351946 200658805 /nfs/dbraw/zinc/65/88/05/200658805.db2.gz NAJZVPZQACFDKD-ZJUUUORDSA-N 1 0 230.327 1.616 10 0 BDAERO CSCCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161951007 360938360 /nfs/dbraw/zinc/93/83/60/360938360.db2.gz GDKDBAWWFZMWIZ-JTQLQIEISA-N 1 0 203.351 1.444 10 0 BDAERO CC[C@@]1(C)C[C@@](C[NH3+])(N(C)C)CCO1 ZINC000069892050 360950513 /nfs/dbraw/zinc/95/05/13/360950513.db2.gz XUDITFYYXMTPIK-QWRGUYRKSA-N 1 0 200.326 1.225 10 0 BDAERO COC[C@@H](C)[NH2+][C@@H]1CCCN(C(C)C)C1=O ZINC000309659556 491153823 /nfs/dbraw/zinc/15/38/23/491153823.db2.gz QWBKSYIRSPPILC-GHMZBOCLSA-N 1 0 228.336 1.010 10 0 BDAERO Cc1nc(C[NH3+])ccc1OC(F)(F)F ZINC000238525522 361139506 /nfs/dbraw/zinc/13/95/06/361139506.db2.gz WPIYZVXEYJSOLQ-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO CCCCN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159550284 361252310 /nfs/dbraw/zinc/25/23/10/361252310.db2.gz XMXVNRVPUCJBQS-LBPRGKRZSA-N 1 0 212.337 1.777 10 0 BDAERO [NH2+]=C(NC1CC1)c1ccncc1Br ZINC000306625345 361286145 /nfs/dbraw/zinc/28/61/45/361286145.db2.gz GQMRPLMGFSRWAD-UHFFFAOYSA-N 1 0 240.104 1.921 10 0 BDAERO C[C@@]1(C(=O)NCCC2CC2)CCCC[NH2+]1 ZINC000159582645 361257004 /nfs/dbraw/zinc/25/70/04/361257004.db2.gz WXZHYAISJHHVPU-LBPRGKRZSA-N 1 0 210.321 1.435 10 0 BDAERO [NH3+]C1(C(=O)N[C@H](CO)c2ccccc2)CCCC1 ZINC000063003766 181327994 /nfs/dbraw/zinc/32/79/94/181327994.db2.gz CQLXIPUQUFFDKQ-GFCCVEGCSA-N 1 0 248.326 1.108 10 0 BDAERO CC1CC(C(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000579127287 366718797 /nfs/dbraw/zinc/71/87/97/366718797.db2.gz WVOZXTNTLVQYCR-UHFFFAOYSA-N 1 0 232.327 1.808 10 0 BDAERO [NH3+]C1(C(=O)OC[C@H]2CCCCO2)CCCC1 ZINC000048632882 181330946 /nfs/dbraw/zinc/33/09/46/181330946.db2.gz CQHOUVPMFYMRFA-SNVBAGLBSA-N 1 0 227.304 1.370 10 0 BDAERO CC(C)O[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000306632028 361363029 /nfs/dbraw/zinc/36/30/29/361363029.db2.gz OMRCOBINZOMKHH-ZJUUUORDSA-N 1 0 215.293 1.034 10 0 BDAERO CCC[C@H](C(=O)N[C@@H]1CCCOCC1)[NH+](C)C ZINC000180978081 366779707 /nfs/dbraw/zinc/77/97/07/366779707.db2.gz VWSGCEDEKYTGHL-VXGBXAGGSA-N 1 0 242.363 1.402 10 0 BDAERO COC[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000151847904 201184867 /nfs/dbraw/zinc/18/48/67/201184867.db2.gz XMVJPTFBBLXTJR-WOPDTQHZSA-N 1 0 214.353 1.340 10 0 BDAERO [NH3+]C1CC(NC(=O)c2ccccc2F)C1 ZINC000036237049 181340345 /nfs/dbraw/zinc/34/03/45/181340345.db2.gz UCHWAGCRDJWODY-UHFFFAOYSA-N 1 0 208.236 1.045 10 0 BDAERO [NH3+]C1CC(NC(=O)c2c(F)cccc2F)C1 ZINC000036256619 181340607 /nfs/dbraw/zinc/34/06/07/181340607.db2.gz YVGBTGSFOJOMST-UHFFFAOYSA-N 1 0 226.226 1.184 10 0 BDAERO C[C@]1(CNCc2ccccc2)CCC[NH2+]1 ZINC000070619689 361642530 /nfs/dbraw/zinc/64/25/30/361642530.db2.gz OCMYBRZNJJHWKF-CYBMUJFWSA-N 1 0 204.317 1.918 10 0 BDAERO [NH3+]C1CCC(C(=O)Nc2nccs2)CC1 ZINC000037481575 181341595 /nfs/dbraw/zinc/34/15/95/181341595.db2.gz MQIABKAMDCCXMS-UHFFFAOYSA-N 1 0 225.317 1.599 10 0 BDAERO [NH3+]C1CCC(c2nnc3n2CCCCC3)CC1 ZINC000037562296 181342657 /nfs/dbraw/zinc/34/26/57/181342657.db2.gz BPKFKSHDAHOGNQ-UHFFFAOYSA-N 1 0 234.347 1.989 10 0 BDAERO [NH3+]C1CCC(OC(=O)C(F)(F)F)CC1 ZINC000091302065 181342502 /nfs/dbraw/zinc/34/25/02/181342502.db2.gz ZTSNKSLPQUTQAU-UHFFFAOYSA-N 1 0 211.183 1.362 10 0 BDAERO C[NH2+]Cc1csc(N2CCC[C@H]2C)n1 ZINC000070628812 361680737 /nfs/dbraw/zinc/68/07/37/361680737.db2.gz UCUSUEMTVOPZIO-MRVPVSSYSA-N 1 0 211.334 1.851 10 0 BDAERO [NH3+]C1CCN(C(=O)C2[C@@H]3CCCC[C@H]23)CC1 ZINC000122214872 181343572 /nfs/dbraw/zinc/34/35/72/181343572.db2.gz VXFFVBTWHVMDBY-FOSCPWQOSA-N 1 0 222.332 1.372 10 0 BDAERO C[C@H]1CC[C@@]([NH2+]C2CCCC2)(C(N)=O)C1 ZINC000070644721 361693175 /nfs/dbraw/zinc/69/31/75/361693175.db2.gz IWAHXFQAAMPZOR-CABZTGNLSA-N 1 0 210.321 1.563 10 0 BDAERO C[C@@H]1CC[C@](C[NH3+])(N2CCSCC2)C1 ZINC000070644400 361693788 /nfs/dbraw/zinc/69/37/88/361693788.db2.gz QNFJCSZIWXHTKP-MNOVXSKESA-N 1 0 214.378 1.553 10 0 BDAERO CC[C@H](C)N(C)CC[NH2+]CC1CCOCC1 ZINC000155811719 201352525 /nfs/dbraw/zinc/35/25/25/201352525.db2.gz YGGNFSHXLYHGMU-LBPRGKRZSA-N 1 0 228.380 1.733 10 0 BDAERO [NH3+]CC(=O)N1CCSC[C@@H]1c1cccs1 ZINC000309565074 181350234 /nfs/dbraw/zinc/35/02/34/181350234.db2.gz QEQIXMAEFTVWNP-MRVPVSSYSA-N 1 0 242.369 1.323 10 0 BDAERO CC1(C)CC[C@@H](Cn2cc[nH+]c2N)OC1 ZINC000713626193 541302727 /nfs/dbraw/zinc/30/27/27/541302727.db2.gz YACWCPPMZHJGGF-VIFPVBQESA-N 1 0 209.293 1.671 10 0 BDAERO O=C1CC[C@H](C[NH2+]Cc2ccc(F)cc2)N1 ZINC000070204142 541318992 /nfs/dbraw/zinc/31/89/92/541318992.db2.gz JTDYARHMSLQRHY-LLVKDONJSA-N 1 0 222.263 1.194 10 0 BDAERO c1cc(COC2C[NH2+]C2)cc(C2CC2)n1 ZINC000204334105 363985663 /nfs/dbraw/zinc/98/56/63/363985663.db2.gz ZRRIKXDHRSOJJY-UHFFFAOYSA-N 1 0 204.273 1.447 10 0 BDAERO CO[C@@H]1CN(C(=O)CCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630358496 364079966 /nfs/dbraw/zinc/07/99/66/364079966.db2.gz IOVWFRMZCDWKSJ-WCQYABFASA-N 1 0 242.363 1.387 10 0 BDAERO CC(C)(C)OC(=O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000725241542 541329906 /nfs/dbraw/zinc/32/99/06/541329906.db2.gz HRDGNAMPBHNUBM-VIFPVBQESA-N 1 0 227.304 1.097 10 0 BDAERO C=Cc1ccc([C@@H]2CC[NH2+]C[C@@H]2N)cc1 ZINC000725241576 541329984 /nfs/dbraw/zinc/32/99/84/541329984.db2.gz ZSGISOJMFBOCIA-STQMWFEESA-N 1 0 202.301 1.734 10 0 BDAERO C[C@H](C[NH+](C)C)NC1=[NH+]C(C)(C)CS1 ZINC000130679349 364029301 /nfs/dbraw/zinc/02/93/01/364029301.db2.gz KZPVXDGUBCYOAO-MRVPVSSYSA-N 1 0 215.366 1.408 10 0 BDAERO CC(C)[NH2+]CCC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000037480190 364063651 /nfs/dbraw/zinc/06/36/51/364063651.db2.gz QFKXNJVALPMREG-GHMZBOCLSA-N 1 0 228.336 1.058 10 0 BDAERO CCCNC(=O)NC[C@H]([NH3+])[C@H](C)CC ZINC000725254959 541331939 /nfs/dbraw/zinc/33/19/39/541331939.db2.gz LPNWNISNLDXWEC-BDAKNGLRSA-N 1 0 201.314 1.069 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000725271285 541339512 /nfs/dbraw/zinc/33/95/12/541339512.db2.gz KDAYVSJYHTZFPP-WOPDTQHZSA-N 1 0 241.379 1.576 10 0 BDAERO CC(C)C(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272902 541340675 /nfs/dbraw/zinc/34/06/75/541340675.db2.gz VIJRTJOKUPMJLC-LLVKDONJSA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000725271280 541339935 /nfs/dbraw/zinc/33/99/35/541339935.db2.gz KDAYVSJYHTZFPP-GRYCIOLGSA-N 1 0 241.379 1.576 10 0 BDAERO Cc1nnc(N[C@@H]2CC[C@H](C)[NH2+]C2)nc1C ZINC000630533034 364222995 /nfs/dbraw/zinc/22/29/95/364222995.db2.gz MVEYGZGIUKKZNV-OIBJUYFYSA-N 1 0 221.308 1.041 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C)cnc1C ZINC000630529769 364217538 /nfs/dbraw/zinc/21/75/38/364217538.db2.gz VSMXBXVJMSEGTH-WDEREUQCSA-N 1 0 220.320 1.068 10 0 BDAERO C[C@H]1CC[C@H](Nc2nc3ccccc3n2C)C[NH2+]1 ZINC000630533045 364223141 /nfs/dbraw/zinc/22/31/41/364223141.db2.gz NBPUYLFJHLTTFP-QWRGUYRKSA-N 1 0 244.342 1.548 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2nc3ccccc3n2C)C[NH2+]1 ZINC000630533043 364223463 /nfs/dbraw/zinc/22/34/63/364223463.db2.gz NBPUYLFJHLTTFP-GHMZBOCLSA-N 1 0 244.342 1.548 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncnc2sccc21 ZINC000630544927 364239992 /nfs/dbraw/zinc/23/99/92/364239992.db2.gz KCDHZFFQGLMWME-IONNQARKSA-N 1 0 234.328 1.854 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccncc1Cl ZINC000630545296 364240449 /nfs/dbraw/zinc/24/04/49/364240449.db2.gz JWMBLMKMIVSUMK-IONNQARKSA-N 1 0 211.696 1.319 10 0 BDAERO CCCc1nsc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630553443 364248261 /nfs/dbraw/zinc/24/82/61/364248261.db2.gz JREPRSYEGOWCIY-IUCAKERBSA-N 1 0 240.376 1.522 10 0 BDAERO COc1ccnc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000630556533 364254835 /nfs/dbraw/zinc/25/48/35/364254835.db2.gz HMDXRLREKSZGOZ-MGCOHNPYSA-N 1 0 236.319 1.415 10 0 BDAERO C[C@H]1CN(c2ccc(Cl)cn2)C[C@H]1C[NH3+] ZINC000630568688 364265203 /nfs/dbraw/zinc/26/52/03/364265203.db2.gz INQVJMUAEDMZEO-DTWKUNHWSA-N 1 0 225.723 1.766 10 0 BDAERO C[C@@H]1CN(c2ccncc2Cl)C[C@@H]1C[NH3+] ZINC000630572297 364268608 /nfs/dbraw/zinc/26/86/08/364268608.db2.gz QXXGZNOFFAWRHK-BDAKNGLRSA-N 1 0 225.723 1.766 10 0 BDAERO Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)nc(C)n1 ZINC000630533340 364224855 /nfs/dbraw/zinc/22/48/55/364224855.db2.gz CDAJVRXHSPRHFR-GZMMTYOYSA-N 1 0 220.320 1.646 10 0 BDAERO COc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)ncn1 ZINC000630531783 364224924 /nfs/dbraw/zinc/22/49/24/364224924.db2.gz DEMGCTJOJWEUIO-RKDXNWHRSA-N 1 0 222.292 1.038 10 0 BDAERO C[C@H]1CC[C@@H](Nc2ncncc2Cl)C[NH2+]1 ZINC000630533755 364225934 /nfs/dbraw/zinc/22/59/34/364225934.db2.gz QXMJNGGSSXESMF-JGVFFNPUSA-N 1 0 226.711 1.682 10 0 BDAERO C[C@H]1CC[C@H](Nc2ncc(Cl)cn2)C[NH2+]1 ZINC000630533820 364227344 /nfs/dbraw/zinc/22/73/44/364227344.db2.gz FWDZCMSPIVFAJC-CBAPKCEASA-N 1 0 226.711 1.682 10 0 BDAERO Cc1ccnc(N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000630533928 364227446 /nfs/dbraw/zinc/22/74/46/364227446.db2.gz HPIRJGWKKXJWAN-MNOVXSKESA-N 1 0 205.305 1.942 10 0 BDAERO [NH3+]CC1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000032629204 181361851 /nfs/dbraw/zinc/36/18/51/181361851.db2.gz DRVCFAGQAUYLOO-UHFFFAOYSA-N 1 0 239.340 1.732 10 0 BDAERO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H]1C ZINC000170815112 364353461 /nfs/dbraw/zinc/35/34/61/364353461.db2.gz WHLQLXRQFZZQEB-VHSXEESVSA-N 1 0 213.325 1.034 10 0 BDAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)[C@H]1CCCO1 ZINC000037626255 364354810 /nfs/dbraw/zinc/35/48/10/364354810.db2.gz SJAQNKYNFHDZOV-HBIQZDMRSA-N 1 0 240.347 1.188 10 0 BDAERO C[C@H](CC[NH3+])Nc1ncnc2sccc21 ZINC000134272050 364397057 /nfs/dbraw/zinc/39/70/57/364397057.db2.gz MDRCTDCQUXYWFT-SSDOTTSWSA-N 1 0 222.317 1.841 10 0 BDAERO [NH3+]CC1CCC(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000097031641 181364487 /nfs/dbraw/zinc/36/44/87/181364487.db2.gz ZWILTGYOSCIOQG-HTAVTVPLSA-N 1 0 240.347 1.047 10 0 BDAERO [NH3+]CC1(c2nc3cccnc3[nH]2)CCC1 ZINC000082913905 181363437 /nfs/dbraw/zinc/36/34/37/181363437.db2.gz KZUSHRYPJVCXNK-UHFFFAOYSA-N 1 0 202.261 1.338 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170862120 364542370 /nfs/dbraw/zinc/54/23/70/364542370.db2.gz KKNRHLQRDQBJOQ-QWRGUYRKSA-N 1 0 227.352 1.376 10 0 BDAERO CCOC(=O)CN(C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000387390758 364603090 /nfs/dbraw/zinc/60/30/90/364603090.db2.gz KDJMWPFTIPXNCI-LBPRGKRZSA-N 1 0 240.347 1.108 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCF)C1 ZINC000246741094 364608828 /nfs/dbraw/zinc/60/88/28/364608828.db2.gz GSYVXAKSQHXLLJ-WDEREUQCSA-N 1 0 245.342 1.374 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOC(C)(C)C ZINC000247122762 364619071 /nfs/dbraw/zinc/61/90/71/364619071.db2.gz JBDJKGRXKVITTI-STQMWFEESA-N 1 0 240.391 1.970 10 0 BDAERO [NH3+]CCC(=O)Nc1cccc(F)c1F ZINC000040230595 181369141 /nfs/dbraw/zinc/36/91/41/181369141.db2.gz IJNKJSIGOWMUDI-UHFFFAOYSA-N 1 0 200.188 1.252 10 0 BDAERO CC(C)n1cc([C@H]2OCC[C@H]2C[NH3+])cn1 ZINC000232778095 541373495 /nfs/dbraw/zinc/37/34/95/541373495.db2.gz SCRBMAXHJGZSOG-ONGXEEELSA-N 1 0 209.293 1.500 10 0 BDAERO [NH3+]CCC1(c2ccc(F)cc2)OCCO1 ZINC000049814909 181369990 /nfs/dbraw/zinc/36/99/90/181369990.db2.gz YFRSVPCDNMYHCU-UHFFFAOYSA-N 1 0 211.236 1.374 10 0 BDAERO [NH3+]CCC(=O)O[C@H]1CCCc2ccccc21 ZINC000040410890 181370177 /nfs/dbraw/zinc/37/01/77/181370177.db2.gz GHQCIQHWEKPEKO-LBPRGKRZSA-N 1 0 219.284 1.956 10 0 BDAERO COc1cc(C[NH2+]C[C@H]2CCC[C@H]2O)sn1 ZINC000399028850 364727250 /nfs/dbraw/zinc/72/72/50/364727250.db2.gz JBLAPJFDCWWPLB-PSASIEDQSA-N 1 0 242.344 1.402 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCCOC1 ZINC000109548988 541380366 /nfs/dbraw/zinc/38/03/66/541380366.db2.gz OGKGMYRWWDYGRF-VXGBXAGGSA-N 1 0 240.347 1.061 10 0 BDAERO CCS(=O)(=O)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000081926327 541380937 /nfs/dbraw/zinc/38/09/37/541380937.db2.gz UOUZOYJFBVKJOM-IUCAKERBSA-N 1 0 219.350 1.327 10 0 BDAERO [NH3+]CCCC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000119338047 181372579 /nfs/dbraw/zinc/37/25/79/181372579.db2.gz YEJYKAGLYOVZIZ-TZMCWYRMSA-N 1 0 248.326 1.372 10 0 BDAERO [NH3+]CCCCCNC(=O)Nc1ccccc1 ZINC000070626830 181375299 /nfs/dbraw/zinc/37/52/99/181375299.db2.gz RZEXMOFHWDWKQY-UHFFFAOYSA-N 1 0 221.304 1.937 10 0 BDAERO [NH3+]CCCCN1C(=O)CC2(CCCCC2)C1=O ZINC000054135603 181375971 /nfs/dbraw/zinc/37/59/71/181375971.db2.gz XYBUXTZEIDWVON-UHFFFAOYSA-N 1 0 238.331 1.435 10 0 BDAERO CCC[C@@H](C)C(=O)N1CC2(C1)CC[NH2+]C2 ZINC000675053045 541430713 /nfs/dbraw/zinc/43/07/13/541430713.db2.gz FJEDGOXEOQUEIN-SNVBAGLBSA-N 1 0 210.321 1.245 10 0 BDAERO Nc1c(C2=CC[NH2+]CC2)cnn1C1CC1 ZINC000669385126 541438323 /nfs/dbraw/zinc/43/83/23/541438323.db2.gz ZJJPPGROJZHGTG-UHFFFAOYSA-N 1 0 204.277 1.177 10 0 BDAERO [NH3+]CCCNC(=O)c1c[nH]c2ccccc12 ZINC000040835034 181382051 /nfs/dbraw/zinc/38/20/51/181382051.db2.gz CBWNPEBAPCQDSA-UHFFFAOYSA-N 1 0 217.272 1.247 10 0 BDAERO [NH3+]CCCNc1nccc(-c2cccs2)n1 ZINC000002538548 181384002 /nfs/dbraw/zinc/38/40/02/181384002.db2.gz JWSKWEKCWBUBFR-UHFFFAOYSA-N 1 0 234.328 1.966 10 0 BDAERO [NH3+]CCC[C@@H](C(=O)NC1CC1)c1ccco1 ZINC000076611163 181384737 /nfs/dbraw/zinc/38/47/37/181384737.db2.gz XXGDQRIRVNIKRR-SNVBAGLBSA-N 1 0 222.288 1.381 10 0 BDAERO [NH3+]CCC[C@H](C(=O)NC1CC1)c1cccs1 ZINC000076620762 181385573 /nfs/dbraw/zinc/38/55/73/181385573.db2.gz DRMDONGFSWHVOZ-JTQLQIEISA-N 1 0 238.356 1.849 10 0 BDAERO [NH3+]CCC[S@@](=O)c1ccc(Cl)cc1 ZINC000040954685 181386044 /nfs/dbraw/zinc/38/60/44/181386044.db2.gz DVZUAYVWEAEMLU-ZDUSSCGKSA-N 1 0 217.721 1.796 10 0 BDAERO [NH3+]CCCc1nnc(COc2ccccc2)[nH]1 ZINC000061844127 181387616 /nfs/dbraw/zinc/38/76/16/181387616.db2.gz 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[NH3+]CCNCc1ccc(F)c(Br)c1 ZINC000037712550 181396720 /nfs/dbraw/zinc/39/67/20/181396720.db2.gz KCSGDGVUQMALOM-UHFFFAOYSA-N 1 0 247.111 1.637 10 0 BDAERO [NH3+]CCNCc1ccc2ccccc2c1 ZINC000038315919 181397935 /nfs/dbraw/zinc/39/79/35/181397935.db2.gz RLFAMUCYODOFTP-UHFFFAOYSA-N 1 0 200.285 1.888 10 0 BDAERO [NH3+]C[C@@H](O)c1c[nH]c2ccc(Cl)cc21 ZINC000070453456 181423774 /nfs/dbraw/zinc/42/37/74/181423774.db2.gz WGTFWABLXBDANL-SNVBAGLBSA-N 1 0 210.664 1.813 10 0 BDAERO [NH3+]C[C@@H](c1ccccn1)n1cc(Cl)cn1 ZINC000043341448 181425820 /nfs/dbraw/zinc/42/58/20/181425820.db2.gz UOKABLPYUNFCLZ-JTQLQIEISA-N 1 0 222.679 1.480 10 0 BDAERO C[C@@H]1CC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000575185327 365233195 /nfs/dbraw/zinc/23/31/95/365233195.db2.gz VTODAFSXZLGBCH-DBIOUOCHSA-N 1 0 240.347 1.186 10 0 BDAERO C[C@@H]1C[N@@H+]([C@H]2CCO[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000379828265 365284965 /nfs/dbraw/zinc/28/49/65/365284965.db2.gz YASSOEQZLVYTFM-NOOOWODRSA-N 1 0 212.337 1.081 10 0 BDAERO CCc1cnccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000182535344 366915409 /nfs/dbraw/zinc/91/54/09/366915409.db2.gz JLDWIFWRLJPWSJ-GFCCVEGCSA-N 1 0 247.342 1.420 10 0 BDAERO O=Cc1ccc(N2CC[NH2+]CC2)c(Cl)c1 ZINC000088041554 541468852 /nfs/dbraw/zinc/46/88/52/541468852.db2.gz XUXXPLOPRJGTJV-UHFFFAOYSA-N 1 0 224.691 1.562 10 0 BDAERO CCc1cnn2c1NC[C@@H]1C[NH2+]CC[C@@H]12 ZINC000234190421 541510619 /nfs/dbraw/zinc/51/06/19/541510619.db2.gz UXUMCOVSGWLYOS-UWVGGRQHSA-N 1 0 206.293 1.022 10 0 BDAERO CCc1cn2c([nH+]1)NCC[C@@H]2[C@@H]1CCCO1 ZINC000234197460 541512064 /nfs/dbraw/zinc/51/20/64/541512064.db2.gz PLKDIZIZKOFDSD-MNOVXSKESA-N 1 0 221.304 1.981 10 0 BDAERO OCC1CCC([N@H+](C2CC2)C2COC2)CC1 ZINC000116884672 370849912 /nfs/dbraw/zinc/84/99/12/370849912.db2.gz RILBCRXXBIWQTK-UHFFFAOYSA-N 1 0 225.332 1.401 10 0 BDAERO C[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C(C)(C)C1 ZINC000380585729 367246991 /nfs/dbraw/zinc/24/69/91/367246991.db2.gz ZUGFBPXMVBUIFA-GMTAPVOTSA-N 1 0 224.348 1.489 10 0 BDAERO CCc1nnc(C[N@@H+]2CCC[C@@H](C)CC2)n1C ZINC000195116953 367339332 /nfs/dbraw/zinc/33/93/32/367339332.db2.gz DECMOSLQBPHHPN-LLVKDONJSA-N 1 0 236.363 2.000 10 0 BDAERO COC[C@@H](C)C[NH2+]C[C@H]1CC12CCOCC2 ZINC000381472279 367413898 /nfs/dbraw/zinc/41/38/98/367413898.db2.gz PAQMCHPOTBFIOQ-NWDGAFQWSA-N 1 0 227.348 1.675 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000381485102 367417074 /nfs/dbraw/zinc/41/70/74/367417074.db2.gz UXIVYLCEYHQVBE-AGIUHOORSA-N 1 0 229.364 1.920 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000381502879 367420321 /nfs/dbraw/zinc/42/03/21/367420321.db2.gz DGPLHPYDMXPNGK-NXEZZACHSA-N 1 0 212.337 1.665 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000381502883 367420388 /nfs/dbraw/zinc/42/03/88/367420388.db2.gz DGPLHPYDMXPNGK-UWVGGRQHSA-N 1 0 212.337 1.665 10 0 BDAERO C[C@H](C[C@H](C)O)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000381976464 367475694 /nfs/dbraw/zinc/47/56/94/367475694.db2.gz DFEARARVJVWBDY-DGORSVRFSA-N 1 0 227.348 1.549 10 0 BDAERO CC(C)Oc1cncc(N[C@H](C)[C@@H](C)[NH3+])n1 ZINC000381556862 367430225 /nfs/dbraw/zinc/43/02/25/367430225.db2.gz HEEVJDUHLNZGJG-RKDXNWHRSA-N 1 0 224.308 1.411 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000382192700 367496048 /nfs/dbraw/zinc/49/60/48/367496048.db2.gz HVJLLMLPUYZUDW-JHJVBQTASA-N 1 0 227.348 1.696 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2cnc(C)n2C)C1 ZINC000581499714 367528582 /nfs/dbraw/zinc/52/85/82/367528582.db2.gz PXTAWOKSHAFGFM-GFCCVEGCSA-N 1 0 236.363 1.302 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1CC2CCC1CC2 ZINC000382231909 367499528 /nfs/dbraw/zinc/49/95/28/367499528.db2.gz VIWZBFGDRLYKAK-LQVBTDEGSA-N 1 0 238.375 1.925 10 0 BDAERO OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382311936 367506699 /nfs/dbraw/zinc/50/66/99/367506699.db2.gz QHYIXTDVEXXAFZ-WJTVCTBASA-N 1 0 209.333 1.926 10 0 BDAERO CCOc1cncc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382420913 367520264 /nfs/dbraw/zinc/52/02/64/367520264.db2.gz KFLHTARWXFFDEA-NXEZZACHSA-N 1 0 236.319 1.415 10 0 BDAERO C[NH2+][C@@H]1CCN([C@H]2CS[C@@H](C)C2)C1 ZINC000252692058 367598105 /nfs/dbraw/zinc/59/81/05/367598105.db2.gz ZWHJYKRSSUPPRO-IVZWLZJFSA-N 1 0 200.351 1.174 10 0 BDAERO [NH3+]CC[C@@H](Nc1ncnc2c1CCC2)C(F)F ZINC000383497485 367628974 /nfs/dbraw/zinc/62/89/74/367628974.db2.gz YQRGOINAVLQQMO-SECBINFHSA-N 1 0 242.273 1.360 10 0 BDAERO CCc1ncnc(N[C@@H](CC[NH3+])C(F)F)c1F ZINC000383502106 367630155 /nfs/dbraw/zinc/63/01/55/367630155.db2.gz ZWBZEPBDCOVIBX-ZETCQYMHSA-N 1 0 248.252 1.573 10 0 BDAERO [NH3+]C[C@@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000095072631 181430745 /nfs/dbraw/zinc/43/07/45/181430745.db2.gz HQVYIUFVILFKBP-JTQLQIEISA-N 1 0 225.723 1.658 10 0 BDAERO CCOCCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384924426 367758529 /nfs/dbraw/zinc/75/85/29/367758529.db2.gz RPFPWEKAWIRYQP-MNOVXSKESA-N 1 0 201.310 1.258 10 0 BDAERO C[C@@H](CCCO)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000384641738 367710475 /nfs/dbraw/zinc/71/04/75/367710475.db2.gz XKSDHPMYQNDGCP-QJPTWQEYSA-N 1 0 215.337 1.288 10 0 BDAERO C[C@H]([NH2+]Cc1ccc(CO)o1)[C@@H]1CCCO1 ZINC000081574513 370895398 /nfs/dbraw/zinc/89/53/98/370895398.db2.gz YNUVYSHLDXMPFZ-CABZTGNLSA-N 1 0 225.288 1.429 10 0 BDAERO COc1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)sn1 ZINC000399221738 367906576 /nfs/dbraw/zinc/90/65/76/367906576.db2.gz YYXMIWWTCWSTGU-RKDXNWHRSA-N 1 0 242.344 1.545 10 0 BDAERO CC(C)n1ncnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000386273926 367943625 /nfs/dbraw/zinc/94/36/25/367943625.db2.gz XVYGIYSMFXSZSS-SRVKXCTJSA-N 1 0 249.362 1.028 10 0 BDAERO Cc1cnc(N2CC[C@@H]([C@@H](C)[NH3+])C2)nc1C ZINC000386461407 367977144 /nfs/dbraw/zinc/97/71/44/367977144.db2.gz NISWKJJYMUJJOA-MWLCHTKSSA-N 1 0 220.320 1.267 10 0 BDAERO Cc1cnc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)nc1C ZINC000386471799 367978535 /nfs/dbraw/zinc/97/85/35/367978535.db2.gz PBDNNBNHRIPHRW-ZYHUDNBSSA-N 1 0 234.347 1.657 10 0 BDAERO Cc1cnc(N2CCC[C@H](CC[NH3+])C2)nc1C ZINC000386712962 368011662 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/nfs/dbraw/zinc/33/02/07/368330207.db2.gz QDFMSRKIVCZDEV-UHFFFAOYSA-O 1 0 229.259 1.367 10 0 BDAERO COC(=O)c1ccc([C@H]2CC[NH2+]C2)cc1F ZINC000215636854 368362352 /nfs/dbraw/zinc/36/23/52/368362352.db2.gz UDPQNVPDDMEKEH-VIFPVBQESA-N 1 0 223.247 1.689 10 0 BDAERO O=[N+]([O-])c1ccc([C@@H]2C[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000034411015 368374840 /nfs/dbraw/zinc/37/48/40/368374840.db2.gz CDWPCUWAPIPTCY-DLOVCJGASA-N 1 0 218.256 1.918 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000101639851 368381383 /nfs/dbraw/zinc/38/13/83/368381383.db2.gz RHHMXWYRZLDZNM-SRVKXCTJSA-N 1 0 214.353 1.341 10 0 BDAERO CC(C)(C)n1cc(C[C@@H]2CCC[NH2+]2)cn1 ZINC000221551794 368402730 /nfs/dbraw/zinc/40/27/30/368402730.db2.gz JARJAOLERYMRLW-NSHDSACASA-N 1 0 207.321 1.933 10 0 BDAERO COC(=O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566666222 326072536 /nfs/dbraw/zinc/07/25/36/326072536.db2.gz ZGCRRJCWZLACGF-QWRGUYRKSA-N 1 0 242.363 1.163 10 0 BDAERO CC(C)[C@H]([NH3+])CN1CCS[C@H](C)[C@@H]1C ZINC000253085327 368474055 /nfs/dbraw/zinc/47/40/55/368474055.db2.gz ZNLJMYFZEXLFML-HBNTYKKESA-N 1 0 216.394 1.796 10 0 BDAERO COC(=O)[C@H]1C[N@H+](C)CC[C@H]1c1ccccc1 ZINC000002002162 368732260 /nfs/dbraw/zinc/73/22/60/368732260.db2.gz WMVXAQQBRYETCJ-STQMWFEESA-N 1 0 233.311 1.895 10 0 BDAERO COC(=O)C1CC[NH+]([C@H](C)C(C)C)CC1 ZINC000259723074 370934952 /nfs/dbraw/zinc/93/49/52/370934952.db2.gz QFJYYJRUFYXFFR-SNVBAGLBSA-N 1 0 213.321 1.916 10 0 BDAERO CC(C)c1nsc(N2CCCC[C@H]2C[NH3+])n1 ZINC000083670214 368801816 /nfs/dbraw/zinc/80/18/16/368801816.db2.gz YXXCPMPGSDWQHO-VIFPVBQESA-N 1 0 240.376 1.979 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@H]2C ZINC000253281992 368911998 /nfs/dbraw/zinc/91/19/98/368911998.db2.gz LDCLTTVXTQAGSG-JFGNBEQYSA-N 1 0 211.305 1.575 10 0 BDAERO O=C(Nc1ccccc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090321742 368977027 /nfs/dbraw/zinc/97/70/27/368977027.db2.gz PTABTAMYCQAYGF-QWRGUYRKSA-N 1 0 231.299 1.370 10 0 BDAERO N#Cc1c(N)cccc1OC[C@@H]1CCC[NH2+]1 ZINC000114236260 368931134 /nfs/dbraw/zinc/93/11/34/368931134.db2.gz CRITVQRXNIBFKA-VIFPVBQESA-N 1 0 217.272 1.271 10 0 BDAERO COc1ccc(N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091540641 369013903 /nfs/dbraw/zinc/01/39/03/369013903.db2.gz ATAHKAFWOMYAPU-MNOVXSKESA-N 1 0 248.326 1.785 10 0 BDAERO CC[NH+]1CCN(Nc2ccccc2OC)CC1 ZINC000616219272 369063690 /nfs/dbraw/zinc/06/36/90/369063690.db2.gz VKASVTPCFQEFOI-UHFFFAOYSA-N 1 0 235.331 1.660 10 0 BDAERO C[NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)OC ZINC000054072404 369054339 /nfs/dbraw/zinc/05/43/39/369054339.db2.gz HPWCDLHCFHTZTN-QMMMGPOBSA-N 1 0 236.271 1.020 10 0 BDAERO CC(C)COCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838666 369120234 /nfs/dbraw/zinc/12/02/34/369120234.db2.gz SMWIZYVRIVSOGD-NWDGAFQWSA-N 1 0 214.353 1.186 10 0 BDAERO [NH3+]C[C@H]1CCCCN1CC(=O)c1ccc[nH]1 ZINC000095072435 181457274 /nfs/dbraw/zinc/45/72/74/181457274.db2.gz KIQBBTWPJYEMBA-SNVBAGLBSA-N 1 0 221.304 1.011 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ncco1 ZINC000616690737 369113710 /nfs/dbraw/zinc/11/37/10/369113710.db2.gz GOLIHLZCDLPQFW-GFCCVEGCSA-N 1 0 244.298 1.607 10 0 BDAERO [NH3+]CCN1C[C@@H](c2cnco2)Nc2ccccc21 ZINC000616692022 369114839 /nfs/dbraw/zinc/11/48/39/369114839.db2.gz IRQLCSSKRZTPKI-NSHDSACASA-N 1 0 244.298 1.607 10 0 BDAERO [NH3+]Cc1c(F)cccc1OCCn1cccn1 ZINC000049313417 181471777 /nfs/dbraw/zinc/47/17/77/181471777.db2.gz DKWYFCAUMNRLGS-UHFFFAOYSA-N 1 0 235.262 1.560 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1N1C(=O)CCCCC1=O ZINC000035676837 181462403 /nfs/dbraw/zinc/46/24/03/181462403.db2.gz SRKIGDNACOTIGY-NXEZZACHSA-N 1 0 224.304 1.043 10 0 BDAERO O=C(c1ccco1)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000142975855 259537368 /nfs/dbraw/zinc/53/73/68/259537368.db2.gz VWNRITNBBNUUOE-VHSXEESVSA-N 1 0 220.272 1.104 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1F ZINC000623766983 369216222 /nfs/dbraw/zinc/21/62/22/369216222.db2.gz OFZSXFUCYRTKQU-NEPJUHHUSA-N 1 0 239.290 1.374 10 0 BDAERO CC(C)CCC[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623767417 369395300 /nfs/dbraw/zinc/39/53/00/369395300.db2.gz VORHBXSMVPINDY-MNOVXSKESA-N 1 0 201.310 1.162 10 0 BDAERO CC(C)(C)CC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404031988 369417413 /nfs/dbraw/zinc/41/74/13/369417413.db2.gz XJSBOXJAXAARCR-MNOVXSKESA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)(C)CC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404031990 369417554 /nfs/dbraw/zinc/41/75/54/369417554.db2.gz XJSBOXJAXAARCR-QWRGUYRKSA-N 1 0 240.347 1.012 10 0 BDAERO CCCCC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404191018 369422490 /nfs/dbraw/zinc/42/24/90/369422490.db2.gz HRAHLJVIXDKNLU-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO COC(C)(C)CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000404230283 369423757 /nfs/dbraw/zinc/42/37/57/369423757.db2.gz GOLALVYPEAJJLN-NSHDSACASA-N 1 0 242.363 1.260 10 0 BDAERO CCC[C@H](C)C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404230099 369424511 /nfs/dbraw/zinc/42/45/11/369424511.db2.gz PREMISMQDCVHHK-YNEHKIRRSA-N 1 0 226.364 1.485 10 0 BDAERO CCN1CC[C@H](C[NH3+])[C@@H]1c1nccs1 ZINC000161679573 370960655 /nfs/dbraw/zinc/96/06/55/370960655.db2.gz XYBSUGHLHWQOEO-RKDXNWHRSA-N 1 0 211.334 1.485 10 0 BDAERO C[C@@H](C[NH2+][C@@H](C)C1CC1)N1CCOCC1 ZINC000165253673 203383154 /nfs/dbraw/zinc/38/31/54/203383154.db2.gz YYYNNKVEFFOSIT-QWRGUYRKSA-N 1 0 212.337 1.095 10 0 BDAERO O[C@H](c1cncs1)[C@@H]1CCCCC[NH2+]1 ZINC000161515576 369583527 /nfs/dbraw/zinc/58/35/27/369583527.db2.gz GGQVTWFRJYXKLP-WPRPVWTQSA-N 1 0 212.318 1.709 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000076073934 370210441 /nfs/dbraw/zinc/21/04/41/370210441.db2.gz XZYDZIGZFPNEDP-SCVCMEIPSA-N 1 0 237.347 1.178 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CC1(F)F ZINC000621670775 370420656 /nfs/dbraw/zinc/42/06/56/370420656.db2.gz XXEDXTNKMANXGK-BDAKNGLRSA-N 1 0 234.290 1.521 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[C@H]1CC1(F)F ZINC000621670959 370421646 /nfs/dbraw/zinc/42/16/46/370421646.db2.gz DMCBQCKAEAVDBQ-XHNCKOQMSA-N 1 0 234.290 1.521 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC1CC(C)C1 ZINC000621672552 370424420 /nfs/dbraw/zinc/42/44/20/370424420.db2.gz JTDCHIDAMKAUPL-VQXHTEKXSA-N 1 0 212.337 1.522 10 0 BDAERO Cc1nc(C)c(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)o1 ZINC000311773817 370432688 /nfs/dbraw/zinc/43/26/88/370432688.db2.gz HSQBBCRYFIXDTL-NXEZZACHSA-N 1 0 237.303 1.035 10 0 BDAERO CCn1ccnc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000077204706 370399999 /nfs/dbraw/zinc/39/99/99/370399999.db2.gz OKBSAUUPJWAXCA-VXGBXAGGSA-N 1 0 237.347 1.544 10 0 BDAERO C[N@@H+]1CC[C@@H](c2ccc(CCO)cc2)C1 ZINC000215288683 370417635 /nfs/dbraw/zinc/41/76/35/370417635.db2.gz NAHSYJDWABCIHO-CYBMUJFWSA-N 1 0 205.301 1.641 10 0 BDAERO [NH3+]Cc1nccnc1OCc1ccccc1 ZINC000054378370 181504419 /nfs/dbraw/zinc/50/44/19/181504419.db2.gz CJLKMFBHFWMQRC-UHFFFAOYSA-N 1 0 215.256 1.514 10 0 BDAERO C[NH2+]CCc1ccncc1Br ZINC000215338435 370601599 /nfs/dbraw/zinc/60/15/99/370601599.db2.gz NJDNUVQPNLWMIJ-UHFFFAOYSA-N 1 0 215.094 1.606 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000623764211 371086172 /nfs/dbraw/zinc/08/61/72/371086172.db2.gz AIYPICGVDHZZAC-DTWKUNHWSA-N 1 0 231.679 1.172 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000623763957 371086195 /nfs/dbraw/zinc/08/61/95/371086195.db2.gz XYTAAGPFYMDIMG-NWDGAFQWSA-N 1 0 241.718 1.579 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000623764400 371086750 /nfs/dbraw/zinc/08/67/50/371086750.db2.gz DMVHYVJWPTYSAG-LSDHHAIUSA-N 1 0 247.338 1.803 10 0 BDAERO [NH3+][C@@H](CC(=O)N1CCSC1)c1ccccc1 ZINC000028371358 181537282 /nfs/dbraw/zinc/53/72/82/181537282.db2.gz FKTPJRIXHKLWFQ-NSHDSACASA-N 1 0 236.340 1.609 10 0 BDAERO [NH3+][C@@H](Cn1cccn1)c1ccc(F)c(F)c1 ZINC000023068387 181559254 /nfs/dbraw/zinc/55/92/54/181559254.db2.gz HABAQTBKYQQHLZ-NSHDSACASA-N 1 0 223.226 1.861 10 0 BDAERO [NH3+][C@@H](Cn1cccn1)c1ccc(F)cc1F ZINC000023071691 181560092 /nfs/dbraw/zinc/56/00/92/181560092.db2.gz WBNAIYJGCOXGRF-NSHDSACASA-N 1 0 223.226 1.861 10 0 BDAERO [NH3+][C@@H](c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043299757 181563057 /nfs/dbraw/zinc/56/30/57/181563057.db2.gz HIAZDYLIPDGQMK-KOLCDFICSA-N 1 0 243.303 1.260 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(F)c(Br)c1 ZINC000044232874 181615811 /nfs/dbraw/zinc/61/58/11/181615811.db2.gz WQIUKVXKKQKVCT-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+][C@H]1COc2cc(OC(F)(F)F)ccc21 ZINC000095756594 181656999 /nfs/dbraw/zinc/65/69/99/181656999.db2.gz DLLOGGPSRBCEGD-ZETCQYMHSA-N 1 0 219.162 1.977 10 0 BDAERO [NH3+][C@H](c1ccc2c(c1)NC(=O)CO2)C1CCC1 ZINC000036949886 181632232 /nfs/dbraw/zinc/63/22/32/181632232.db2.gz VHBREJUVSGFTTO-ZDUSSCGKSA-N 1 0 232.283 1.817 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1Nc1ncccc1O ZINC000095072224 181640911 /nfs/dbraw/zinc/64/09/11/181640911.db2.gz ZVSDAJVIKAJQOP-IUCAKERBSA-N 1 0 207.277 1.469 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1Nc1nccc(Cl)n1 ZINC000095072219 181641890 /nfs/dbraw/zinc/64/18/90/181641890.db2.gz BIOZUNIZLPQNOU-JGVFFNPUSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cnoc2)C1 ZINC000070503004 181644701 /nfs/dbraw/zinc/64/47/01/181644701.db2.gz UMSJUSRPCCVKEU-SFYZADRCSA-N 1 0 209.249 1.131 10 0 BDAERO [NH3+][C@H]1CCOc2c(F)c(F)c(F)cc21 ZINC000075882229 181653363 /nfs/dbraw/zinc/65/33/63/181653363.db2.gz NMZKGJKDFKCNPN-LURJTMIESA-N 1 0 203.163 1.886 10 0 BDAERO [NH3+][C@H]1C[C@H]1Nc1ncc(Cl)cc1Cl ZINC000036267517 181660119 /nfs/dbraw/zinc/66/01/19/181660119.db2.gz VPIMUFOXZBTVTE-NKWVEPMBSA-N 1 0 218.087 1.900 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@H]2CCO[C@@H]21 ZINC000624217809 371406613 /nfs/dbraw/zinc/40/66/13/371406613.db2.gz JGTVTKGEEWAMKP-ROHXPCBUSA-N 1 0 225.332 1.160 10 0 BDAERO CCC1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624235192 371422368 /nfs/dbraw/zinc/42/23/68/371422368.db2.gz GKBWVUNCLRKGOO-TUUUFIMRSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cccc(F)c1 ZINC000624234979 371422597 /nfs/dbraw/zinc/42/25/97/371422597.db2.gz AJDVLBQGYJLAQX-BIMULSAOSA-N 1 0 239.290 1.626 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccco1 ZINC000624235486 371422937 /nfs/dbraw/zinc/42/29/37/371422937.db2.gz KYSHWXUPYWNRPK-LPEHRKFASA-N 1 0 211.261 1.080 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccs1 ZINC000624235275 371423178 /nfs/dbraw/zinc/42/31/78/371423178.db2.gz HSZZJFFSLFFXFE-GARJFASQSA-N 1 0 241.356 1.939 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccoc1 ZINC000624236430 371423348 /nfs/dbraw/zinc/42/33/48/371423348.db2.gz CGYHSLCGPOTUQC-INTQDDNPSA-N 1 0 211.261 1.080 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)c2ccccc21 ZINC000624238106 371426072 /nfs/dbraw/zinc/42/60/72/371426072.db2.gz KNIUCSPATDQRBC-RABLLNBGSA-N 1 0 247.338 1.974 10 0 BDAERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCOC[C@@H]1O ZINC000624239053 371429119 /nfs/dbraw/zinc/42/91/19/371429119.db2.gz BZCNKXLHJBXPAU-VOAKCMCISA-N 1 0 227.348 1.695 10 0 BDAERO COc1cccc(C[NH2+]CC2CC(O)C2)c1F ZINC000165872679 326426715 /nfs/dbraw/zinc/42/67/15/326426715.db2.gz PMBLNYMVDCVGOJ-UHFFFAOYSA-N 1 0 239.290 1.695 10 0 BDAERO CC[C@H]1C[NH+]=C(NC2CCOCC2)S1 ZINC000230002044 371633110 /nfs/dbraw/zinc/63/31/10/371633110.db2.gz ZEPQUFJAWPWCIG-VIFPVBQESA-N 1 0 214.334 1.636 10 0 BDAERO C[C@@H](CO)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230030924 371638726 /nfs/dbraw/zinc/63/87/26/371638726.db2.gz RTSBJNNOTCUGRS-CYBMUJFWSA-N 1 0 236.359 1.466 10 0 BDAERO Cc1nc(CC(=O)[C@H]2CC[NH2+]C2)cs1 ZINC000226331158 371649017 /nfs/dbraw/zinc/64/90/17/371649017.db2.gz QNTVOKUWBIIEEY-QMMMGPOBSA-N 1 0 210.302 1.173 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)c1cccc(F)c1 ZINC000226377456 371656780 /nfs/dbraw/zinc/65/67/80/371656780.db2.gz BPUYESSKDPNKAG-GZMMTYOYSA-N 1 0 207.248 1.864 10 0 BDAERO Cc1nsc(O[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000131731075 371661861 /nfs/dbraw/zinc/66/18/61/371661861.db2.gz FBYROQZGXXBHTJ-YUMQZZPRSA-N 1 0 213.306 1.495 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CC[C@@H](C)C1 ZINC000226658163 371716189 /nfs/dbraw/zinc/71/61/89/371716189.db2.gz IGCUGPVNNCDINQ-KXUCPTDWSA-N 1 0 200.351 1.032 10 0 BDAERO Nc1nc2ccccc2nc1OC[C@H]1CCC[NH2+]1 ZINC000095072187 181794562 /nfs/dbraw/zinc/79/45/62/181794562.db2.gz SAPHKGWKEKRSJP-SECBINFHSA-N 1 0 244.298 1.343 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](CN(C)Cc2ccccc2)C1 ZINC000226694897 371726126 /nfs/dbraw/zinc/72/61/26/371726126.db2.gz YKQKTSLSFMUPBD-ZIAGYGMSSA-N 1 0 234.343 1.495 10 0 BDAERO COc1cccc(C(=O)C2C[NH2+]C2)c1F ZINC000226537330 371691891 /nfs/dbraw/zinc/69/18/91/371691891.db2.gz MJMIMEYWZSYUNJ-UHFFFAOYSA-N 1 0 209.220 1.236 10 0 BDAERO c1csc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000131874096 371702828 /nfs/dbraw/zinc/70/28/28/371702828.db2.gz HJSJOYYWWUIOGD-BDAKNGLRSA-N 1 0 210.302 1.679 10 0 BDAERO Cn1cc(S[C@H]2CCCC[NH2+]C2)cn1 ZINC000132157607 371757053 /nfs/dbraw/zinc/75/70/53/371757053.db2.gz IUAWLMRZBYJDAC-VIFPVBQESA-N 1 0 211.334 1.654 10 0 BDAERO NC(=S)CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000227167365 371793966 /nfs/dbraw/zinc/79/39/66/371793966.db2.gz SRUDZJOJQGIJRH-ZJUUUORDSA-N 1 0 212.362 1.927 10 0 BDAERO C[C@H]1SCCN(C(C)(C)C[NH3+])[C@H]1C ZINC000132278876 371782995 /nfs/dbraw/zinc/78/29/95/371782995.db2.gz HQSOOBURSONAAK-DTWKUNHWSA-N 1 0 202.367 1.550 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000132410268 371815549 /nfs/dbraw/zinc/81/55/49/371815549.db2.gz BHBXMQHIODFWOL-CSMHCCOUSA-N 1 0 218.391 1.487 10 0 BDAERO C[C@@H]1C[N@@H+](C[Si](C)(C)C)C[C@H](C)N1 ZINC000401796886 371820412 /nfs/dbraw/zinc/82/04/12/371820412.db2.gz KVLUPIWHEDSQPI-AOOOYVTPSA-N 1 0 200.402 1.546 10 0 BDAERO [NH3+]C[C@]1(c2cccc(Cl)c2)C[C@@H]1CO ZINC000132845153 371936248 /nfs/dbraw/zinc/93/62/48/371936248.db2.gz JJYKPERKRHXLAM-KOLCDFICSA-N 1 0 211.692 1.549 10 0 BDAERO O=C1CCCCC[C@@H]1[NH+]1CCSCC1 ZINC000057896100 371926804 /nfs/dbraw/zinc/92/68/04/371926804.db2.gz TZVWFNPXFZAJFO-JTQLQIEISA-N 1 0 213.346 1.937 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](N(C)CC(F)(F)F)C1 ZINC000227937828 371960185 /nfs/dbraw/zinc/96/01/85/371960185.db2.gz CMUWHJWYGIOAJP-JGVFFNPUSA-N 1 0 210.243 1.479 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](N(C)CC(F)(F)F)C1 ZINC000227937836 371960480 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O[C@H](Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000041213798 183227052 /nfs/dbraw/zinc/22/70/52/183227052.db2.gz JNHOFNXVWNHXQM-QWHCGFSZSA-N 1 0 205.301 1.590 10 0 BDAERO O[C@H](c1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000034429468 183228607 /nfs/dbraw/zinc/22/86/07/183228607.db2.gz HGAXEPJVBQJVSZ-LBPRGKRZSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@H](c1c[nH]c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000041229083 183228692 /nfs/dbraw/zinc/22/86/92/183228692.db2.gz CJSJWPZJKSOIBF-QWHCGFSZSA-N 1 0 216.284 1.953 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000037883807 183231707 /nfs/dbraw/zinc/23/17/07/183231707.db2.gz KIYLSNMNXJTGDP-OLZOCXBDSA-N 1 0 220.316 1.865 10 0 BDAERO O[C@@]1(Cc2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000060164751 183216281 /nfs/dbraw/zinc/21/62/81/183216281.db2.gz WOGXGPPTMLQMGI-GFCCVEGCSA-N 1 0 225.719 1.997 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000082599696 183237882 /nfs/dbraw/zinc/23/78/82/183237882.db2.gz DKPDTZCJDLAZTM-NEPJUHHUSA-N 1 0 227.254 1.968 10 0 BDAERO O[C@H]1c2ccccc2OC[C@H]1[NH+]1CCCCC1 ZINC000044119608 183250071 /nfs/dbraw/zinc/25/00/71/183250071.db2.gz KUBLZEAOYLPCTH-OCCSQVGLSA-N 1 0 233.311 1.967 10 0 BDAERO O[C@]1(c2ccc3c(c2)OCCO3)CCC[NH2+]C1 ZINC000071545437 183252122 /nfs/dbraw/zinc/25/21/22/183252122.db2.gz CFBONBHRAGUFQB-CYBMUJFWSA-N 1 0 235.283 1.029 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000052014601 183232807 /nfs/dbraw/zinc/23/28/07/183232807.db2.gz KPSZZVNZUJEOEY-NEPJUHHUSA-N 1 0 227.348 1.575 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000037164812 183236070 /nfs/dbraw/zinc/23/60/70/183236070.db2.gz NPNLCFRPMZTYJI-NEPJUHHUSA-N 1 0 206.289 1.475 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000037165330 183236612 /nfs/dbraw/zinc/23/66/12/183236612.db2.gz MSJAMLNCDFIAIS-JQWIXIFHSA-N 1 0 206.289 1.475 10 0 BDAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C1CCC(O)CC1 ZINC000019918950 183281604 /nfs/dbraw/zinc/28/16/04/183281604.db2.gz LREASAYTFGVWAQ-SRHKJQAYSA-N 1 0 249.310 1.719 10 0 BDAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038044169 183281349 /nfs/dbraw/zinc/28/13/49/183281349.db2.gz GFTRCJUWRJJOFB-GXFFZTMASA-N 1 0 249.310 1.842 10 0 BDAERO Oc1cccnc1OCC1CC[NH2+]CC1 ZINC000095073850 183305837 /nfs/dbraw/zinc/30/58/37/183305837.db2.gz INEBUECEXWGAQF-UHFFFAOYSA-N 1 0 208.261 1.166 10 0 BDAERO CCCN(CC[NH3+])C(=O)C1(c2ccccc2)CC1 ZINC000061617527 169157202 /nfs/dbraw/zinc/15/72/02/169157202.db2.gz RHKAPTIAGTXMSW-UHFFFAOYSA-N 1 0 246.354 1.916 10 0 BDAERO CCC[N@H+](CC[C@@H](NC)C(=O)OCC)C(C)C ZINC000062446622 169170853 /nfs/dbraw/zinc/17/08/53/169170853.db2.gz BNUUNBOGVQNBCN-GFCCVEGCSA-N 1 0 244.379 1.648 10 0 BDAERO Oc1cccnc1OCCC[C@@H]1CCC[NH2+]C1 ZINC000095073858 183304891 /nfs/dbraw/zinc/30/48/91/183304891.db2.gz NOFILNKQEAHJII-NSHDSACASA-N 1 0 236.315 1.946 10 0 BDAERO CCC[NH+]1CCC(N)(c2nccs2)CC1 ZINC000041059856 169186467 /nfs/dbraw/zinc/18/64/67/169186467.db2.gz NDMJMMFWZKNOKS-UHFFFAOYSA-N 1 0 225.361 1.803 10 0 BDAERO CCC[NH+]1CCC([NH2+]CC2CC2)(C(=O)[O-])CC1 ZINC000037967180 169188955 /nfs/dbraw/zinc/18/89/55/169188955.db2.gz ADVVDLQDNBJDQJ-UHFFFAOYSA-N 1 0 240.347 1.315 10 0 BDAERO c1c[nH]c(CN2CCC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000111232421 183326033 /nfs/dbraw/zinc/32/60/33/183326033.db2.gz DNLNLLVCDKFTHX-CYBMUJFWSA-N 1 0 248.374 1.860 10 0 BDAERO CCC[NH+]1CCN(C[C@@](C)(CC)C[NH2+]C)CC1 ZINC000051207548 169203272 /nfs/dbraw/zinc/20/32/72/169203272.db2.gz OMTWOSZXUKCQAZ-AWEZNQCLSA-N 1 0 241.423 1.650 10 0 BDAERO S=C1Nc2ccccc2CN1[C@@H]1CCC[NH2+]C1 ZINC000095078930 183313335 /nfs/dbraw/zinc/31/33/35/183313335.db2.gz XTAONLUXKXSNHI-LLVKDONJSA-N 1 0 247.367 1.951 10 0 BDAERO c1cc(COC[C@H]2CCCC[NH2+]2)ccn1 ZINC000051815863 183355606 /nfs/dbraw/zinc/35/56/06/183355606.db2.gz HQBFGEMXVIQZJV-GFCCVEGCSA-N 1 0 206.289 1.740 10 0 BDAERO c1cc(OCC[C@H]2CCC[NH2+]C2)ccn1 ZINC000051918760 183358097 /nfs/dbraw/zinc/35/80/97/183358097.db2.gz FUYYRKBMQDVFPC-LLVKDONJSA-N 1 0 206.289 1.850 10 0 BDAERO CCCNC(=O)C[N@H+](C)[C@@H](C)c1ccc(N)cc1 ZINC000042517299 169219065 /nfs/dbraw/zinc/21/90/65/169219065.db2.gz KLSDNOOMGDXFQB-NSHDSACASA-N 1 0 249.358 1.788 10 0 BDAERO CCC[NH2+]C1CCN(C(=O)NCC)CC1 ZINC000037469284 169255648 /nfs/dbraw/zinc/25/56/48/169255648.db2.gz DZAZCOGCLVTKNN-UHFFFAOYSA-N 1 0 213.325 1.180 10 0 BDAERO CCC[NH2+]CCCSCCS(C)(=O)=O ZINC000082514543 169257486 /nfs/dbraw/zinc/25/74/86/169257486.db2.gz RDOKBAXRZILGIQ-UHFFFAOYSA-N 1 0 239.406 1.154 10 0 BDAERO c1cc2c(cc1NC1CC[NH2+]CC1)OCCO2 ZINC000038040561 183369407 /nfs/dbraw/zinc/36/94/07/183369407.db2.gz LYVLMNZEPFBQCS-UHFFFAOYSA-N 1 0 234.299 1.622 10 0 BDAERO CCC[NH2+]CCO[C@H](C)C(=O)NC1CCCC1 ZINC000051844643 169260706 /nfs/dbraw/zinc/26/07/06/169260706.db2.gz BTVVVHSSYXAJJA-LLVKDONJSA-N 1 0 242.363 1.450 10 0 BDAERO c1cc2c(cc1[C@H]1CC[NH2+]C1)OCCO2 ZINC000019785223 183371779 /nfs/dbraw/zinc/37/17/79/183371779.db2.gz QEWMSZVBEQQWFG-JTQLQIEISA-N 1 0 205.257 1.535 10 0 BDAERO CCCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917499 169235028 /nfs/dbraw/zinc/23/50/28/169235028.db2.gz VSMSUPMROJUXMK-NWDGAFQWSA-N 1 0 239.363 1.570 10 0 BDAERO CCCNC(=O)Nc1ccc(C[NH3+])cn1 ZINC000051953377 169240314 /nfs/dbraw/zinc/24/03/14/169240314.db2.gz XHMLJVYXAISWGV-UHFFFAOYSA-N 1 0 208.265 1.072 10 0 BDAERO CCC[NH2+]C[C@@H]1CCCN1c1nccn1CC ZINC000053693581 169262703 /nfs/dbraw/zinc/26/27/03/169262703.db2.gz GJLMPYILQTVBCF-LBPRGKRZSA-N 1 0 236.363 1.871 10 0 BDAERO CCCNC(=O)[C@H](C[NH3+])Cc1ccccc1CC ZINC000052200782 169248669 /nfs/dbraw/zinc/24/86/69/169248669.db2.gz NJPXWNPRBMWZAF-AWEZNQCLSA-N 1 0 248.370 1.893 10 0 BDAERO CCC[NH2+][C@H](CC)CN1CCn2ccnc2C1 ZINC000062250691 169288293 /nfs/dbraw/zinc/28/82/93/169288293.db2.gz TVJORARCFOOSKV-GFCCVEGCSA-N 1 0 236.363 1.477 10 0 BDAERO CCC[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000032014428 169264696 /nfs/dbraw/zinc/26/46/96/169264696.db2.gz NVFWAWHMEPVFOR-JTQLQIEISA-N 1 0 223.272 1.448 10 0 BDAERO c1ccc(CC[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019919986 183393183 /nfs/dbraw/zinc/39/31/83/183393183.db2.gz MHQGRSZTUQDHLS-ZDUSSCGKSA-N 1 0 205.301 1.855 10 0 BDAERO CCC[NH2+]Cc1ccc(N2CCC[C@@H]2C)nn1 ZINC000051398886 169267402 /nfs/dbraw/zinc/26/74/02/169267402.db2.gz UOSDCFOHYMEWTL-NSHDSACASA-N 1 0 234.347 1.965 10 0 BDAERO CCC[NH2+]Cc1ccnc(O[C@H]2CCOC2)c1 ZINC000104102845 169268026 /nfs/dbraw/zinc/26/80/26/169268026.db2.gz SLOBAZMZZSADMI-LBPRGKRZSA-N 1 0 236.315 1.749 10 0 BDAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1CC(C)(C)O ZINC000104407830 169276435 /nfs/dbraw/zinc/27/64/35/169276435.db2.gz PNEKZLJGUHRLJJ-QWHCGFSZSA-N 1 0 242.407 2.000 10 0 BDAERO CCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020084262 169276823 /nfs/dbraw/zinc/27/68/23/169276823.db2.gz QBTQHXYOWOLHNE-QMMMGPOBSA-N 1 0 219.288 1.917 10 0 BDAERO CCC[NH2+][C@H](c1cnn(C)c1)c1cccnc1 ZINC000035584184 169280204 /nfs/dbraw/zinc/28/02/04/169280204.db2.gz KRNPRGQAMKOTLB-ZDUSSCGKSA-N 1 0 230.315 1.904 10 0 BDAERO CCC[NH2+][C@@H]1CCC[C@@H]1OCCCOC ZINC000044107642 169281594 /nfs/dbraw/zinc/28/15/94/169281594.db2.gz QGVWTTGDGUNWHK-NEPJUHHUSA-N 1 0 215.337 1.960 10 0 BDAERO CCC[NH2+][C@@H]1CCN(C[C@@H]2CCCCO2)C1=O ZINC000042821719 169281829 /nfs/dbraw/zinc/28/18/29/169281829.db2.gz MTUVYKFCZXGULO-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO CCC[NH2+][C@@H]1CCCC[C@@H]1CN1CCOCC1 ZINC000026443084 169281967 /nfs/dbraw/zinc/28/19/67/169281967.db2.gz ZJSVJZPVBJHEBN-ZIAGYGMSSA-N 1 0 240.391 1.877 10 0 BDAERO CCCN[C@@]1(C(=O)OCC)CC[N@@H+](C2CC2)C1 ZINC000061991288 169283844 /nfs/dbraw/zinc/28/38/44/169283844.db2.gz ALQIOQNCOMPEFS-ZDUSSCGKSA-N 1 0 240.347 1.156 10 0 BDAERO CCCOCCc1nnc(CC[NH2+]C(C)C)o1 ZINC000054435992 169309743 /nfs/dbraw/zinc/30/97/43/169309743.db2.gz GWAKPSOZZGGTEV-UHFFFAOYSA-N 1 0 241.335 1.579 10 0 BDAERO CCCOCCOc1nc(C)ccc1C(N)=[NH2+] ZINC000104244244 169310165 /nfs/dbraw/zinc/31/01/65/169310165.db2.gz PBBIIKFHHKGGPK-UHFFFAOYSA-N 1 0 237.303 1.479 10 0 BDAERO CCCO[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037024842 169310576 /nfs/dbraw/zinc/31/05/76/169310576.db2.gz WAEUJWLYZLXZGV-VHSXEESVSA-N 1 0 215.293 1.036 10 0 BDAERO CCCO[C@H]1CCCN([C@@H]2CCC[NH2+]C2)C1 ZINC000042422762 169312900 /nfs/dbraw/zinc/31/29/00/169312900.db2.gz QFOOTLCSSJNUGT-OLZOCXBDSA-N 1 0 226.364 1.629 10 0 BDAERO CCCOc1cc([C@@H](O)C[NH3+])ccc1OC ZINC000032014999 169315806 /nfs/dbraw/zinc/31/58/06/169315806.db2.gz DYWHDHGNPINGAT-JTQLQIEISA-N 1 0 225.288 1.476 10 0 BDAERO CCC[NH2+][C@H]1CCCC[C@H]1CN1CCOCC1 ZINC000026443093 169290901 /nfs/dbraw/zinc/29/09/01/169290901.db2.gz ZJSVJZPVBJHEBN-KBPBESRZSA-N 1 0 240.391 1.877 10 0 BDAERO CCCOc1ccc(C(=O)C[NH2+]C)cc1 ZINC000041613257 169316899 /nfs/dbraw/zinc/31/68/99/169316899.db2.gz GJKAWRVTYWXRIL-UHFFFAOYSA-N 1 0 207.273 1.878 10 0 BDAERO CCC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000049647624 169291415 /nfs/dbraw/zinc/29/14/15/169291415.db2.gz YSOVQQDITCEXQX-LBPRGKRZSA-N 1 0 236.290 1.931 10 0 BDAERO CCC[NH2+][C@H]1CCN(c2cccnc2)C1 ZINC000037240249 169291607 /nfs/dbraw/zinc/29/16/07/169291607.db2.gz RYWWKOXKXZOYSR-NSHDSACASA-N 1 0 205.305 1.660 10 0 BDAERO CCCOc1ccc([C@H](O)[C@H](C)[NH3+])cc1 ZINC000052919386 169322113 /nfs/dbraw/zinc/32/21/13/169322113.db2.gz LYPNBFCLXLXQAJ-JOYOIKCWSA-N 1 0 209.289 1.856 10 0 BDAERO CCCOc1ccc([C@H](C[NH3+])CO)cc1 ZINC000071511769 169322313 /nfs/dbraw/zinc/32/23/13/169322313.db2.gz UHEMIVNMWWHEFC-LLVKDONJSA-N 1 0 209.289 1.510 10 0 BDAERO CCCOc1cccc([C@H](O)C[NH2+]C)c1 ZINC000032012255 169326178 /nfs/dbraw/zinc/32/61/78/169326178.db2.gz LZAHVRNISJNJLH-GFCCVEGCSA-N 1 0 209.289 1.728 10 0 BDAERO CCCOc1ccccc1[C@](C)(O)C[NH2+]C ZINC000032014622 169327958 /nfs/dbraw/zinc/32/79/58/169327958.db2.gz PVDQJDDHHDUGOM-CYBMUJFWSA-N 1 0 223.316 1.902 10 0 BDAERO CCCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000075418245 169334266 /nfs/dbraw/zinc/33/42/66/169334266.db2.gz FIIOLIQOQRWFII-CMPLNLGQSA-N 1 0 241.356 1.900 10 0 BDAERO c1ccc2c(c1)OC[C@@H](C[NH2+]C[C@@H]1CCOC1)O2 ZINC000020138009 183452518 /nfs/dbraw/zinc/45/25/18/183452518.db2.gz GUSHXXVVODDKPS-NWDGAFQWSA-N 1 0 249.310 1.453 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc2c[nH]nc21 ZINC000037044414 169391353 /nfs/dbraw/zinc/39/13/53/169391353.db2.gz KBWSTQFSBBIJLR-SECBINFHSA-N 1 0 232.287 1.629 10 0 BDAERO CCC[C@@H]([NH3+])c1noc([C@H]2CCCO2)n1 ZINC000041052550 169394811 /nfs/dbraw/zinc/39/48/11/169394811.db2.gz RRSBOVFQCJLWCZ-HTQZYQBOSA-N 1 0 211.265 1.721 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000310034865 169418821 /nfs/dbraw/zinc/41/88/21/169418821.db2.gz SRICJAZWUKCRNG-FRRDWIJNSA-N 1 0 227.348 1.960 10 0 BDAERO CCOC(=O)[C@@H](CC)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567068 535457723 /nfs/dbraw/zinc/45/77/23/535457723.db2.gz ZMRFKQWEODNRRR-GHMZBOCLSA-N 1 0 242.363 1.387 10 0 BDAERO CCC[C@](C)([NH3+])c1nnc(C)n1C1CC1 ZINC000042031099 169548865 /nfs/dbraw/zinc/54/88/65/169548865.db2.gz JFQGNUSUIGRDMY-NSHDSACASA-N 1 0 208.309 1.895 10 0 BDAERO CCC[C@](C)(O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000300415568 169554608 /nfs/dbraw/zinc/55/46/08/169554608.db2.gz WKSFDCSZEIKTBI-NMKXLXIOSA-N 1 0 241.375 1.941 10 0 BDAERO CCCc1cc(N(CC)CCC(N)=[NH2+])ncn1 ZINC000042453201 169565081 /nfs/dbraw/zinc/56/50/81/169565081.db2.gz LBCZJPULHDFYSG-UHFFFAOYSA-N 1 0 235.335 1.581 10 0 BDAERO CCCn1ccc(C[NH2+]CCCn2ccnn2)c1 ZINC000126517512 169621500 /nfs/dbraw/zinc/62/15/00/169621500.db2.gz VAVFXLGKLFDVHY-UHFFFAOYSA-N 1 0 247.346 1.670 10 0 BDAERO C[C@H](C[NH3+])Nc1nc(C(F)(F)F)ns1 ZINC000228789920 259636685 /nfs/dbraw/zinc/63/66/85/259636685.db2.gz VZHDRVOPDZNLBR-GSVOUGTGSA-N 1 0 226.227 1.316 10 0 BDAERO Cc1cc(C)n2nn[n+](Cc3ccccc3)c2n1 ZINC000000040970 383820085 /nfs/dbraw/zinc/82/00/85/383820085.db2.gz OAZISTGDPZUGCC-UHFFFAOYSA-N 1 0 240.290 1.077 10 0 BDAERO COC[C@]1(C(=O)N2CC[C@H](C)[C@H]2C)CCC[NH2+]1 ZINC000643730771 383849960 /nfs/dbraw/zinc/84/99/60/383849960.db2.gz BCPMOIIYTQSWMK-LOWVWBTDSA-N 1 0 240.347 1.012 10 0 BDAERO CN(CCOCC[NH3+])c1ccncc1Cl ZINC000301051640 383881455 /nfs/dbraw/zinc/88/14/55/383881455.db2.gz USFZPCMZLHTHCV-UHFFFAOYSA-N 1 0 229.711 1.147 10 0 BDAERO CC[C@@H]([NH3+])C(=O)Nc1cccc2c[nH]nc21 ZINC000037044416 383930855 /nfs/dbraw/zinc/93/08/55/383930855.db2.gz LZYFEVSNPGCFCI-MRVPVSSYSA-N 1 0 218.260 1.239 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cncnc1 ZINC000054767868 383979365 /nfs/dbraw/zinc/97/93/65/383979365.db2.gz RWSVEYKSAGQDGN-CYBMUJFWSA-N 1 0 236.363 1.543 10 0 BDAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000643614386 383998339 /nfs/dbraw/zinc/99/83/39/383998339.db2.gz UYKHIGNKEXXLJU-WCQYABFASA-N 1 0 248.326 1.100 10 0 BDAERO CC[NH+](CC)CCNc1n[nH]c2ncccc12 ZINC000089224686 383952120 /nfs/dbraw/zinc/95/21/20/383952120.db2.gz ZGCOMWNIRPSNQQ-UHFFFAOYSA-N 1 0 233.319 1.712 10 0 BDAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cc1 ZINC000643614910 384017674 /nfs/dbraw/zinc/01/76/74/384017674.db2.gz PPYIMFFUIMUGSM-LLVKDONJSA-N 1 0 234.299 1.170 10 0 BDAERO CCc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000643616172 384006825 /nfs/dbraw/zinc/00/68/25/384006825.db2.gz MTJOHJBYSHLZFV-LBPRGKRZSA-N 1 0 248.326 1.424 10 0 BDAERO CO[C@@H]1CCC[C@@H]1NC1=[NH+]CCCS1 ZINC000050375870 384009439 /nfs/dbraw/zinc/00/94/39/384009439.db2.gz MSFDKLZJNHYNFD-DTWKUNHWSA-N 1 0 214.334 1.636 10 0 BDAERO CO[C@H]1CCC[C@@H]1NC1=[NH+]CCCS1 ZINC000050375871 384010079 /nfs/dbraw/zinc/01/00/79/384010079.db2.gz MSFDKLZJNHYNFD-IUCAKERBSA-N 1 0 214.334 1.636 10 0 BDAERO CC(C)CC[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643616560 384010851 /nfs/dbraw/zinc/01/08/51/384010851.db2.gz ZGSZLWCVPGWRLU-NWDGAFQWSA-N 1 0 242.363 1.163 10 0 BDAERO C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1cccnc1 ZINC000038075072 384064440 /nfs/dbraw/zinc/06/44/40/384064440.db2.gz FQAACZVBZCGJCL-LLVKDONJSA-N 1 0 247.342 1.649 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1Sc1ncccn1 ZINC000035722214 384101124 /nfs/dbraw/zinc/10/11/24/384101124.db2.gz YSGIBPRKZKAIGJ-BDAKNGLRSA-N 1 0 209.318 1.696 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000091667013 384137897 /nfs/dbraw/zinc/13/78/97/384137897.db2.gz MBLDJKXSFLDXSK-DZGCQCFKSA-N 1 0 248.370 1.976 10 0 BDAERO COC[C@@]1(C(=O)NC[C@@H](C)C(C)C)CCC[NH2+]1 ZINC000643710302 384172185 /nfs/dbraw/zinc/17/21/85/384172185.db2.gz ZUCPSASHJRVHKC-DGCLKSJQSA-N 1 0 242.363 1.163 10 0 BDAERO C[NH2+][C@H](C)CNc1nc(C)cc(C(C)C)n1 ZINC000304315968 384183809 /nfs/dbraw/zinc/18/38/09/384183809.db2.gz RIPBLFRYYMRKPU-SNVBAGLBSA-N 1 0 222.336 1.928 10 0 BDAERO C#CCCCCSC[C@H]1C[NH2+]C[C@@H]1O ZINC000150307767 384205876 /nfs/dbraw/zinc/20/58/76/384205876.db2.gz QHBYVVMFFIQPQH-MNOVXSKESA-N 1 0 213.346 1.103 10 0 BDAERO [NH3+][C@@H](CO)c1ccc(C(F)(F)F)c(F)c1 ZINC000072198452 384199277 /nfs/dbraw/zinc/19/92/77/384199277.db2.gz RHPCYPZQMMYPPR-QMMMGPOBSA-N 1 0 223.169 1.837 10 0 BDAERO CCN(C(=O)[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643637350 384232043 /nfs/dbraw/zinc/23/20/43/384232043.db2.gz NSMMVIJBBCETML-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO CCCCN(CC)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082558804 384236682 /nfs/dbraw/zinc/23/66/82/384236682.db2.gz FZIPXSWXAFPNFQ-WDEREUQCSA-N 1 0 212.337 1.491 10 0 BDAERO CCCCN(CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082558806 384237438 /nfs/dbraw/zinc/23/74/38/384237438.db2.gz FZIPXSWXAFPNFQ-GHMZBOCLSA-N 1 0 212.337 1.491 10 0 BDAERO CS[C@@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000163273183 384211542 /nfs/dbraw/zinc/21/15/42/384211542.db2.gz XCRPBJYHCVUMIM-IVZWLZJFSA-N 1 0 230.377 1.229 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccco2)C1 ZINC000082277722 384220220 /nfs/dbraw/zinc/22/02/20/384220220.db2.gz QHQXIAABTYPMRF-VIFPVBQESA-N 1 0 208.261 1.056 10 0 BDAERO COC[C@@]1(C(=O)NCC2(C)CCC2)CCC[NH2+]1 ZINC000643713080 384226106 /nfs/dbraw/zinc/22/61/06/384226106.db2.gz KHGGCEVRAFXMTE-CYBMUJFWSA-N 1 0 240.347 1.061 10 0 BDAERO Clc1cncnc1NC[C@@H]1CCCC[NH2+]1 ZINC000163673443 384228479 /nfs/dbraw/zinc/22/84/79/384228479.db2.gz KSOMYTFBKAHDCO-QMMMGPOBSA-N 1 0 226.711 1.684 10 0 BDAERO Cc1ccncc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282374298 384263223 /nfs/dbraw/zinc/26/32/23/384263223.db2.gz OBRZBNUKFKBJSG-JQWIXIFHSA-N 1 0 233.315 1.147 10 0 BDAERO CCc1csc(N2CCCO[C@@H](C[NH3+])C2)n1 ZINC000313346964 384274563 /nfs/dbraw/zinc/27/45/63/384274563.db2.gz HSUOJZWWELGYCQ-JTQLQIEISA-N 1 0 241.360 1.260 10 0 BDAERO [NH3+][C@@H]1CCOC[C@H]1Cc1cccc(F)c1 ZINC000074155756 384275316 /nfs/dbraw/zinc/27/53/16/384275316.db2.gz KLBFYQWSIWEERV-ZYHUDNBSSA-N 1 0 209.264 1.732 10 0 BDAERO CC[C@H]([NH3+])CNc1nc2ccccc2o1 ZINC000082579288 384241989 /nfs/dbraw/zinc/24/19/89/384241989.db2.gz TVTHOXZHDPOQEQ-QMMMGPOBSA-N 1 0 205.261 1.977 10 0 BDAERO C[C@@H](C[NH3+])C(=O)Nc1cccnc1Cl ZINC000054338853 384313635 /nfs/dbraw/zinc/31/36/35/384313635.db2.gz PKUUILIDVLTEFC-LURJTMIESA-N 1 0 213.668 1.268 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cccnc1 ZINC000282447714 384281483 /nfs/dbraw/zinc/28/14/83/384281483.db2.gz SEYKRRKLOXFHGP-NHCYSSNCSA-N 1 0 233.315 1.399 10 0 BDAERO CCOc1ccc([C@H](O)CC[NH3+])cc1OCC ZINC000074369296 384282722 /nfs/dbraw/zinc/28/27/22/384282722.db2.gz FMTYOYUKLVDMDT-LLVKDONJSA-N 1 0 239.315 1.866 10 0 BDAERO CC(C)CCOCCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049739 384284322 /nfs/dbraw/zinc/28/43/22/384284322.db2.gz UQLOBSZIVYAOOG-NWDGAFQWSA-N 1 0 214.353 1.328 10 0 BDAERO C[C@@H]1C[NH+](CCC2(O)CCC2)C[C@@H](C)O1 ZINC000335473931 384291000 /nfs/dbraw/zinc/29/10/00/384291000.db2.gz DSNWCZBFXNODDT-GHMZBOCLSA-N 1 0 213.321 1.401 10 0 BDAERO Cc1nc(N2CCCO[C@H](C[NH3+])C2)sc1C ZINC000313366464 384298444 /nfs/dbraw/zinc/29/84/44/384298444.db2.gz WOIIFTHEJHSPAG-SNVBAGLBSA-N 1 0 241.360 1.314 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)c1nc2ccccc2[nH]1 ZINC000095071261 384338280 /nfs/dbraw/zinc/33/82/80/384338280.db2.gz KCSHZAQZRTZCKM-JTQLQIEISA-N 1 0 230.315 1.609 10 0 BDAERO CN(C[C@@H]1CC[NH2+]C1)C(=O)c1cccs1 ZINC000095071174 384338529 /nfs/dbraw/zinc/33/85/29/384338529.db2.gz FKALEGHHDGJRRH-SECBINFHSA-N 1 0 224.329 1.430 10 0 BDAERO Cc1ccnc(N(C)C[C@H]2CCC[NH2+]C2)c1 ZINC000095071081 384338780 /nfs/dbraw/zinc/33/87/80/384338780.db2.gz XYZONIOFSLANNJ-LBPRGKRZSA-N 1 0 219.332 1.826 10 0 BDAERO CN(CC(=O)c1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000095071139 384339234 /nfs/dbraw/zinc/33/92/34/384339234.db2.gz XNBGWMGKDDZTJP-LBPRGKRZSA-N 1 0 247.342 1.196 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)c1nccc(Cl)n1 ZINC000095070944 384339533 /nfs/dbraw/zinc/33/95/33/384339533.db2.gz HRHVDESFAYXHSY-QMMMGPOBSA-N 1 0 226.711 1.318 10 0 BDAERO CSc1nccc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000095071851 384341184 /nfs/dbraw/zinc/34/11/84/384341184.db2.gz FRNCBIFBZFYIDX-MRVPVSSYSA-N 1 0 224.333 1.362 10 0 BDAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2C)n1 ZINC000134244893 384342105 /nfs/dbraw/zinc/34/21/05/384342105.db2.gz YWQBIGSKIRHVPG-VHSXEESVSA-N 1 0 222.288 1.363 10 0 BDAERO CSc1nccnc1CNC[C@H]1CCC[NH2+]1 ZINC000095071935 384342045 /nfs/dbraw/zinc/34/20/45/384342045.db2.gz HMYITEABBGDDJQ-SECBINFHSA-N 1 0 238.360 1.040 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1CC(=O)c1nccs1 ZINC000095072446 384343213 /nfs/dbraw/zinc/34/32/13/384343213.db2.gz WGOLZVSHSNXOIR-VIFPVBQESA-N 1 0 239.344 1.139 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1Cc1nccnc1Cl ZINC000095072458 384343356 /nfs/dbraw/zinc/34/33/56/384343356.db2.gz HODVZLOMDRWIQK-VIFPVBQESA-N 1 0 240.738 1.443 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)c1cccs1 ZINC000095072261 384343752 /nfs/dbraw/zinc/34/37/52/384343752.db2.gz KDEWQNUJBRUZIN-NXEZZACHSA-N 1 0 238.356 1.790 10 0 BDAERO O=C(COCC[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095072929 384345025 /nfs/dbraw/zinc/34/50/25/384345025.db2.gz FSSDFHRGUDAXLF-LBPRGKRZSA-N 1 0 248.326 1.671 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncccc2F)C1 ZINC000335583355 384345284 /nfs/dbraw/zinc/34/52/84/384345284.db2.gz WHUVQVOSRXGYBP-DTWKUNHWSA-N 1 0 209.268 1.760 10 0 BDAERO O=[S@@](Cc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073429 384347555 /nfs/dbraw/zinc/34/75/55/384347555.db2.gz VJIQPQDBJPIABF-IAQYHMDHSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](C[C@H]1CCC[NH2+]1)c1nccs1 ZINC000095073555 384348218 /nfs/dbraw/zinc/34/82/18/384348218.db2.gz HYWHZXOPFZPGAD-UHLUBPPHSA-N 1 0 216.331 1.003 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@H]1Cc1ccccc1F ZINC000095075936 384349649 /nfs/dbraw/zinc/34/96/49/384349649.db2.gz FJIPUOKCBTZAPA-DGCLKSJQSA-N 1 0 223.291 1.993 10 0 BDAERO C[NH2+][C@H]1CCOC[C@H]1Cc1ccc(F)cc1 ZINC000095075909 384349826 /nfs/dbraw/zinc/34/98/26/384349826.db2.gz FKFNWHIJVXJBTQ-YPMHNXCESA-N 1 0 223.291 1.993 10 0 BDAERO C[NH+](C)C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1O ZINC000095074244 384351506 /nfs/dbraw/zinc/35/15/06/384351506.db2.gz RHNZVCBQHIJIPJ-CABCVRRESA-N 1 0 248.370 1.431 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)c1ccccn1 ZINC000095077414 384353444 /nfs/dbraw/zinc/35/34/44/384353444.db2.gz BZTRIWABYJENIV-GHMZBOCLSA-N 1 0 233.315 1.124 10 0 BDAERO c1ccc2c(c1)CN([C@@H]1CC[NH2+]C1)N=N2 ZINC000095082487 384358809 /nfs/dbraw/zinc/35/88/09/384358809.db2.gz PYQCYSQKRIMNIU-SNVBAGLBSA-N 1 0 202.261 1.863 10 0 BDAERO c1cnc(COCC[C@H]2CCCC[NH2+]2)cn1 ZINC000095092485 384361173 /nfs/dbraw/zinc/36/11/73/384361173.db2.gz KDBGAHVGMLJAKJ-LLVKDONJSA-N 1 0 221.304 1.525 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCSCC1 ZINC000335597170 384362081 /nfs/dbraw/zinc/36/20/81/384362081.db2.gz NJYLRDKOVDAGND-QWRGUYRKSA-N 1 0 242.388 1.340 10 0 BDAERO c1cnc2[nH]c(OC[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092676 384362586 /nfs/dbraw/zinc/36/25/86/384362586.db2.gz ZMNAXWZUCGDJQY-QMMMGPOBSA-N 1 0 218.260 1.089 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccncc1 ZINC000335598881 384363426 /nfs/dbraw/zinc/36/34/26/384363426.db2.gz ZAIYMNQXOQIPGI-WCQYABFASA-N 1 0 247.342 1.428 10 0 BDAERO c1cnc2[nH]c(NC[C@H]3CCC[NH2+]3)nc2c1 ZINC000095092614 384363729 /nfs/dbraw/zinc/36/37/29/384363729.db2.gz KROAJTSDGOLCCK-MRVPVSSYSA-N 1 0 217.276 1.122 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccco1 ZINC000335595291 384364691 /nfs/dbraw/zinc/36/46/91/384364691.db2.gz ARULXABFAYRLIG-PWSUYJOCSA-N 1 0 236.315 1.626 10 0 BDAERO CO[C@H]1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000095347500 384367954 /nfs/dbraw/zinc/36/79/54/384367954.db2.gz XPNGYPONHJYIPU-ZJUUUORDSA-N 1 0 244.335 1.278 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC000335603062 384372515 /nfs/dbraw/zinc/37/25/15/384372515.db2.gz LOZJEUAJCKDLER-JQWIXIFHSA-N 1 0 224.348 1.823 10 0 BDAERO C([NH2+][C@@H]1CCSC1)[C@H]1CC12CCOCC2 ZINC000335602589 384373094 /nfs/dbraw/zinc/37/30/94/384373094.db2.gz NZFPNRUAVMXZOC-GHMZBOCLSA-N 1 0 227.373 1.898 10 0 BDAERO CCc1cccc2c([C@H]([NH3+])CN)c[nH]c21 ZINC000044474068 384331826 /nfs/dbraw/zinc/33/18/26/384331826.db2.gz RXBXSRFUIOJYKQ-LLVKDONJSA-N 1 0 203.289 1.689 10 0 BDAERO Cc1ccc([S@](=O)[C@@H]2CCC[NH2+]C2)nc1 ZINC000095069047 384332494 /nfs/dbraw/zinc/33/24/94/384332494.db2.gz MTKNDDTUDNCKPO-BMIGLBTASA-N 1 0 224.329 1.250 10 0 BDAERO Cc1ccnc([S@@](=O)C2CC[NH2+]CC2)c1 ZINC000095069213 384332655 /nfs/dbraw/zinc/33/26/55/384332655.db2.gz GXOMAJTXIXXMTK-OAHLLOKOSA-N 1 0 224.329 1.250 10 0 BDAERO Cc1cc(N2CCC[C@@H]([NH3+])C2)nc(Cl)n1 ZINC000095068826 384332807 /nfs/dbraw/zinc/33/28/07/384332807.db2.gz LWQFPACPICJTRM-MRVPVSSYSA-N 1 0 226.711 1.366 10 0 BDAERO Cc1ccc([S@](=O)CC2CC[NH2+]CC2)nc1 ZINC000095069069 384332906 /nfs/dbraw/zinc/33/29/06/384332906.db2.gz ZDYKZFNZCCTZLN-INIZCTEOSA-N 1 0 238.356 1.497 10 0 BDAERO C[C@H]1CN(c2nc3ccccc3nc2N)CC[NH2+]1 ZINC000095069520 384333778 /nfs/dbraw/zinc/33/37/78/384333778.db2.gz BKZCMWHKDGBINW-VIFPVBQESA-N 1 0 243.314 1.010 10 0 BDAERO Clc1ccc(SC[C@H]2CC[NH2+]C2)nn1 ZINC000095069988 384333969 /nfs/dbraw/zinc/33/39/69/384333969.db2.gz WAKPLSGTXNMBIB-ZETCQYMHSA-N 1 0 229.736 1.832 10 0 BDAERO Clc1cnc(OC[C@@H]2CC[NH2+]C2)nc1 ZINC000095070053 384334544 /nfs/dbraw/zinc/33/45/44/384334544.db2.gz USDGLTLIVOSNMD-SSDOTTSWSA-N 1 0 213.668 1.118 10 0 BDAERO Clc1ccc(COC[C@H]2CCC[NH2+]C2)nn1 ZINC000095069856 384334660 /nfs/dbraw/zinc/33/46/60/384334660.db2.gz OYBITTVZTCIVSJ-VIFPVBQESA-N 1 0 241.722 1.646 10 0 BDAERO Cc1cc(N2CC[NH2+][C@H](C)C2)nc(Cl)n1 ZINC000095069503 384334913 /nfs/dbraw/zinc/33/49/13/384334913.db2.gz CXZVBCOGHHNGKZ-MRVPVSSYSA-N 1 0 226.711 1.237 10 0 BDAERO OC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC000084446205 384396807 /nfs/dbraw/zinc/39/68/07/384396807.db2.gz VVJBADODLJOZDL-UHFFFAOYSA-N 1 0 209.264 1.686 10 0 BDAERO c1ccc2c(c1)nnn2CN1C=CC=CC1 ZINC000095934630 384413420 /nfs/dbraw/zinc/41/34/20/384413420.db2.gz ZNPLOJPOKFITRO-UHFFFAOYSA-N 1 0 212.256 1.774 10 0 BDAERO CCCc1noc([C@@H]2CSC[C@H]2[NH3+])n1 ZINC000134803437 384419105 /nfs/dbraw/zinc/41/91/05/384419105.db2.gz IOILCLCHQNRTGF-RNFRBKRXSA-N 1 0 213.306 1.180 10 0 BDAERO CC(C)CC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404195657 384425087 /nfs/dbraw/zinc/42/50/87/384425087.db2.gz JAWDFRYDPPLOPI-VXGBXAGGSA-N 1 0 212.337 1.095 10 0 BDAERO CC[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000238259872 384377381 /nfs/dbraw/zinc/37/73/81/384377381.db2.gz SGMVMIKNEBOTNH-CHWFTXMASA-N 1 0 210.321 1.513 10 0 BDAERO Clc1nc2ccccc2nc1[C@H]1C[NH2+]CCO1 ZINC000095496280 384379695 /nfs/dbraw/zinc/37/96/95/384379695.db2.gz QJMLPAUATOQQJJ-SNVBAGLBSA-N 1 0 249.701 1.944 10 0 BDAERO Cc1n[nH]cc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000120915969 384388643 /nfs/dbraw/zinc/38/86/43/384388643.db2.gz AQKQTWNJCPUUDZ-NSHDSACASA-N 1 0 222.336 1.102 10 0 BDAERO Cc1ccncc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000135458864 384445757 /nfs/dbraw/zinc/44/57/57/384445757.db2.gz VHFYQILRKSMUEI-QWHCGFSZSA-N 1 0 220.316 1.783 10 0 BDAERO Cc1noc([C@H]2CC[N@H+](CCC(C)(C)O)C2)n1 ZINC000408047945 384431569 /nfs/dbraw/zinc/43/15/69/384431569.db2.gz UGFJVLVKTNGCRJ-JTQLQIEISA-N 1 0 239.319 1.328 10 0 BDAERO Cc1ccccc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000335676100 384484747 /nfs/dbraw/zinc/48/47/47/384484747.db2.gz BCAWUSVEJJKSDS-DGCLKSJQSA-N 1 0 232.327 1.752 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccsc1)n1cccn1 ZINC000043124089 384495375 /nfs/dbraw/zinc/49/53/75/384495375.db2.gz WMZGBQIUEHTFCW-PSASIEDQSA-N 1 0 207.302 1.881 10 0 BDAERO C[C@@]1(C(=O)N[C@@H]2CC23CC3)CCCC[NH2+]1 ZINC000335030841 384501249 /nfs/dbraw/zinc/50/12/49/384501249.db2.gz SUVOHANISSCJRM-KOLCDFICSA-N 1 0 208.305 1.187 10 0 BDAERO CN1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085631468 384550784 /nfs/dbraw/zinc/55/07/84/384550784.db2.gz PRBOWUVBAUMWGV-AVGNSLFASA-N 1 0 238.375 1.484 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)SC ZINC000162331149 384557248 /nfs/dbraw/zinc/55/72/48/384557248.db2.gz PABLGRNHFHWYNK-RKDXNWHRSA-N 1 0 232.393 1.618 10 0 BDAERO CC(C)c1cc(N(C)CCOCC[NH3+])ncn1 ZINC000306053397 384568148 /nfs/dbraw/zinc/56/81/48/384568148.db2.gz UPDLLCVGTZPTRN-UHFFFAOYSA-N 1 0 238.335 1.012 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403141493 384573111 /nfs/dbraw/zinc/57/31/11/384573111.db2.gz WFNXQFISHDQPPK-DBIOUOCHSA-N 1 0 210.321 1.147 10 0 BDAERO CC[C@@H]1CC[N@H+](Cc2nnc(C)n2CC)C1 ZINC000176250766 384582507 /nfs/dbraw/zinc/58/25/07/384582507.db2.gz VZSFPJCSMQHAPM-LLVKDONJSA-N 1 0 222.336 1.838 10 0 BDAERO CC(C)CCC[NH2+]C[C@H]1CN(C)CCO1 ZINC000086005339 384587860 /nfs/dbraw/zinc/58/78/60/384587860.db2.gz KNWBRLHWFZPRSJ-LBPRGKRZSA-N 1 0 214.353 1.343 10 0 BDAERO Cn1c2c(nc1[C@@H]1CCC[NH2+]1)CCCC2 ZINC000049813292 384567141 /nfs/dbraw/zinc/56/71/41/384567141.db2.gz NQXKRAODFBYQRD-JTQLQIEISA-N 1 0 205.305 1.723 10 0 BDAERO Cc1ccsc1C[NH2+]CC1CC(O)C1 ZINC000084446211 384619132 /nfs/dbraw/zinc/61/91/32/384619132.db2.gz JLDVXCVLQNMJLY-UHFFFAOYSA-N 1 0 211.330 1.917 10 0 BDAERO COC[C@H](C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000103431294 384625569 /nfs/dbraw/zinc/62/55/69/384625569.db2.gz BCKCBIGKZQOJEU-RYUDHWBXSA-N 1 0 242.363 1.117 10 0 BDAERO Cc1cncc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000184398736 384600533 /nfs/dbraw/zinc/60/05/33/384600533.db2.gz BVVBGWHSSCBDRB-GXTWGEPZSA-N 1 0 249.358 1.371 10 0 BDAERO Cc1cncc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000184398755 384601911 /nfs/dbraw/zinc/60/19/11/384601911.db2.gz BVVBGWHSSCBDRB-OCCSQVGLSA-N 1 0 249.358 1.371 10 0 BDAERO Cc1ccc([C@@H](C[NH3+])n2cccn2)s1 ZINC000043243410 384672463 /nfs/dbraw/zinc/67/24/63/384672463.db2.gz NKIWCAGOYCOQHF-SECBINFHSA-N 1 0 207.302 1.801 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)[C@@H](O)C(F)(F)F ZINC000336747736 384640041 /nfs/dbraw/zinc/64/00/41/384640041.db2.gz XMXWOALRUDXTAP-RBXMUDONSA-N 1 0 241.253 1.455 10 0 BDAERO C[C@H](c1nccn1C)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000393430003 384648447 /nfs/dbraw/zinc/64/84/47/384648447.db2.gz OMZFBRXDLGNTFN-NQBHXWOUSA-N 1 0 236.363 1.398 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1ccsc1 ZINC000049185199 384675901 /nfs/dbraw/zinc/67/59/01/384675901.db2.gz OXCRGWQYHYGRGL-GXSJLCMTSA-N 1 0 240.372 1.923 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC000082282907 384660231 /nfs/dbraw/zinc/66/02/31/384660231.db2.gz CIHMQNNTLCHKLP-GFCCVEGCSA-N 1 0 236.290 1.602 10 0 BDAERO Clc1ccc(NC[C@@H]2CC[NH2+]C2)nn1 ZINC000082304017 384662345 /nfs/dbraw/zinc/66/23/45/384662345.db2.gz JIYVTLVIWIHRRA-SSDOTTSWSA-N 1 0 212.684 1.151 10 0 BDAERO COc1cc(C)nc(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000125962492 384723172 /nfs/dbraw/zinc/72/31/72/384723172.db2.gz YHNRZOYNUHDCCC-UFBFGSQYSA-N 1 0 206.289 1.897 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](CCn3ccnc3)C2)cn1 ZINC000163043928 384725814 /nfs/dbraw/zinc/72/58/14/384725814.db2.gz DYGJFTRQLKDTAA-LBPRGKRZSA-N 1 0 245.330 1.106 10 0 BDAERO Cc1cc(C)c(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c(C)c1 ZINC000185131036 384684011 /nfs/dbraw/zinc/68/40/11/384684011.db2.gz DWPUPGZBDFXTFV-ZIAGYGMSSA-N 1 0 249.354 1.539 10 0 BDAERO Cc1ccnc(N(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000082500121 384685506 /nfs/dbraw/zinc/68/55/06/384685506.db2.gz YAFXXBXGYDSPDU-LLVKDONJSA-N 1 0 205.305 1.578 10 0 BDAERO c1ccc2[nH]c(OC[C@@H]3CCC[NH2+]3)nc2c1 ZINC000051865764 384692642 /nfs/dbraw/zinc/69/26/42/384692642.db2.gz XPLBHPFKIUKHFB-VIFPVBQESA-N 1 0 217.272 1.694 10 0 BDAERO Cc1ccc(OC[C@@H]2CCCC[NH2+]2)nn1 ZINC000051883541 384697546 /nfs/dbraw/zinc/69/75/46/384697546.db2.gz KVMIHVFHBZUBRA-JTQLQIEISA-N 1 0 207.277 1.306 10 0 BDAERO c1ccc2[nH]c(OC[C@H]3CC[NH2+]C3)nc2c1 ZINC000051889196 384699557 /nfs/dbraw/zinc/69/95/57/384699557.db2.gz FIBFRNHUQWNCAE-VIFPVBQESA-N 1 0 217.272 1.551 10 0 BDAERO CN(Cc1ccncc1)C[C@@H]1CC[NH2+]C1 ZINC000051889953 384700683 /nfs/dbraw/zinc/70/06/83/384700683.db2.gz YBQGKZRRHLEIHW-GFCCVEGCSA-N 1 0 205.305 1.123 10 0 BDAERO CCCCN(C)Cc1c(C(=O)OC)cnn1C ZINC000408715883 384702061 /nfs/dbraw/zinc/70/20/61/384702061.db2.gz GFDWXHZOVMPFMD-UHFFFAOYSA-N 1 0 239.319 1.439 10 0 BDAERO COC[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000173779354 384722063 /nfs/dbraw/zinc/72/20/63/384722063.db2.gz NTYGPMWYHUHKJH-QWHCGFSZSA-N 1 0 249.358 1.850 10 0 BDAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOC1 ZINC000308521702 384775383 /nfs/dbraw/zinc/77/53/83/384775383.db2.gz TUNOOZXBJRRDLI-DCAQKATOSA-N 1 0 201.285 1.893 10 0 BDAERO C[C@H](c1cnccn1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310321995 384776078 /nfs/dbraw/zinc/77/60/78/384776078.db2.gz XHTBYEVWSVDMIH-NQBHXWOUSA-N 1 0 234.347 1.454 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncc(Cl)cn1 ZINC000307089186 384738702 /nfs/dbraw/zinc/73/87/02/384738702.db2.gz UQAWNTYVCGBQMY-HTRCEHHLSA-N 1 0 212.684 1.056 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](CCc2ccncc2)C1 ZINC000334826627 384742018 /nfs/dbraw/zinc/74/20/18/384742018.db2.gz NPHPFWSCVKJRTM-WCQYABFASA-N 1 0 220.316 1.327 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105075843 384746298 /nfs/dbraw/zinc/74/62/98/384746298.db2.gz HDZSUCHWSSXMBC-MNOVXSKESA-N 1 0 241.379 1.813 10 0 BDAERO COC[C@@H](C)[NH2+]C1CC(c2ccccn2)C1 ZINC000309969542 384749585 /nfs/dbraw/zinc/74/95/85/384749585.db2.gz OSRLOCMQJNBHPZ-VOMCLLRMSA-N 1 0 220.316 1.952 10 0 BDAERO CC[C@@H](Cn1cncn1)[NH2+][C@H](C)C(C)C ZINC000309240462 384753085 /nfs/dbraw/zinc/75/30/85/384753085.db2.gz YHGJQUJYOFJKKL-MNOVXSKESA-N 1 0 210.325 1.691 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+]CCF)C12CCOCC2 ZINC000309979430 384759882 /nfs/dbraw/zinc/75/98/82/384759882.db2.gz VMODLGUYLVKQEM-QWRGUYRKSA-N 1 0 231.311 1.520 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccn(C)n1 ZINC000309999479 384771026 /nfs/dbraw/zinc/77/10/26/384771026.db2.gz DHHQSXVKVWGKDF-GARJFASQSA-N 1 0 223.320 1.638 10 0 BDAERO O=C(OC1CC[NH2+]CC1)N1CCCCC1 ZINC000086229502 384773046 /nfs/dbraw/zinc/77/30/46/384773046.db2.gz KFAHXBGDNMUDSC-UHFFFAOYSA-N 1 0 212.293 1.361 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCC(C)C)C1 ZINC000308572946 384821920 /nfs/dbraw/zinc/82/19/20/384821920.db2.gz LHNMVFDKKCIUMD-GHMZBOCLSA-N 1 0 201.310 1.114 10 0 BDAERO CCOC[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000375840489 384823757 /nfs/dbraw/zinc/82/37/57/384823757.db2.gz LOSFSMVIQHWXOQ-GHMZBOCLSA-N 1 0 223.320 1.213 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])Cn2c(Br)cnc21 ZINC000156231468 384833720 /nfs/dbraw/zinc/83/37/20/384833720.db2.gz YYTZYVHNURYVOH-NTSWFWBYSA-N 1 0 230.109 1.480 10 0 BDAERO Cc1ccc(N2CCN(C(N)=[NH2+])CC2)c(C)c1 ZINC000008410460 384834498 /nfs/dbraw/zinc/83/44/98/384834498.db2.gz ZTLVXLTXKIGXFM-UHFFFAOYSA-N 1 0 232.331 1.319 10 0 BDAERO Cc1ccc(C[N@@H+]2CC[C@H](CCO)C2)cn1 ZINC000360984060 384786600 /nfs/dbraw/zinc/78/66/00/384786600.db2.gz CUXNQAVSRYWGHT-GFCCVEGCSA-N 1 0 220.316 1.594 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000048775685 384788180 /nfs/dbraw/zinc/78/81/80/384788180.db2.gz UGNQAMKPHPMWHU-ZCFIWIBFSA-N 1 0 214.215 1.511 10 0 BDAERO Cc1ccsc1[C@H](C)[NH2+]C(CO)CO ZINC000083691376 384792145 /nfs/dbraw/zinc/79/21/45/384792145.db2.gz QFOTUNCRGGZDGE-QMMMGPOBSA-N 1 0 215.318 1.060 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000048775823 384792021 /nfs/dbraw/zinc/79/20/21/384792021.db2.gz KIJDKHIZDMGPFV-SNVBAGLBSA-N 1 0 206.289 1.219 10 0 BDAERO C[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)CC(F)F ZINC000648193487 384808363 /nfs/dbraw/zinc/80/83/63/384808363.db2.gz BMSDRPJCNSGBBO-JOYOIKCWSA-N 1 0 248.317 1.926 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)CC(F)F ZINC000648193857 384812763 /nfs/dbraw/zinc/81/27/63/384812763.db2.gz MOGGMKUHGIKSRR-DJLDLDEBSA-N 1 0 234.290 1.249 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000644439510 384877837 /nfs/dbraw/zinc/87/78/37/384877837.db2.gz KBZAFAJYZLNQLT-MWLCHTKSSA-N 1 0 231.299 1.830 10 0 BDAERO CC(=O)C[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000156488380 384880171 /nfs/dbraw/zinc/88/01/71/384880171.db2.gz PQNHNRAENQMWGB-IXLVHKGHSA-N 1 0 211.305 1.057 10 0 BDAERO Cc1cc(NC[C@@H](C)[NH3+])ncc1Br ZINC000163957840 384882418 /nfs/dbraw/zinc/88/24/18/384882418.db2.gz DXCVLBKNBHRKOF-SSDOTTSWSA-N 1 0 244.136 1.912 10 0 BDAERO COCc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)o1 ZINC000127328530 384886664 /nfs/dbraw/zinc/88/66/64/384886664.db2.gz LCZGCFZRLNOMHP-SKDRFNHKSA-N 1 0 225.288 1.693 10 0 BDAERO Cn1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000085604563 384956606 /nfs/dbraw/zinc/95/66/06/384956606.db2.gz AGGJKCSTSGYZIO-CHWSQXEVSA-N 1 0 222.332 1.666 10 0 BDAERO Cl/C=C/C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105919638 384893400 /nfs/dbraw/zinc/89/34/00/384893400.db2.gz RNTMAJXEHIVWAE-FWEMWIAWSA-N 1 0 240.738 1.743 10 0 BDAERO C[NH+](C)CC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000127417033 384894481 /nfs/dbraw/zinc/89/44/81/384894481.db2.gz MJPJLQCJMGOWGR-NSHDSACASA-N 1 0 236.319 1.025 10 0 BDAERO COC[C@H](C)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086930957 384894781 /nfs/dbraw/zinc/89/47/81/384894781.db2.gz MAUWKSARUNZHPP-VXGBXAGGSA-N 1 0 212.337 1.049 10 0 BDAERO [NH3+]C[C@@H]1COc2ccc(Br)cc21 ZINC000084783575 384898456 /nfs/dbraw/zinc/89/84/56/384898456.db2.gz KHQPWMKLXVVNNU-ZCFIWIBFSA-N 1 0 228.089 1.884 10 0 BDAERO [NH3+][C@@H]1COc2ccc(Br)cc2[C@H]1O ZINC000084789326 384899481 /nfs/dbraw/zinc/89/94/81/384899481.db2.gz WEWKHRKAWHKZLM-VXNVDRBHSA-N 1 0 244.088 1.202 10 0 BDAERO CC[C@H](C)[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000251951430 384919173 /nfs/dbraw/zinc/91/91/73/384919173.db2.gz UNMDHSVPIMNYIZ-QJPTWQEYSA-N 1 0 226.364 1.927 10 0 BDAERO COc1cc(C)nc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000164161991 384932522 /nfs/dbraw/zinc/93/25/22/384932522.db2.gz XXGRSBYBUGAOLH-SNVBAGLBSA-N 1 0 236.319 1.348 10 0 BDAERO C[C@H](C(=O)N[C@@H]1COc2ccccc21)C1C[NH2+]C1 ZINC000164569100 384934051 /nfs/dbraw/zinc/93/40/51/384934051.db2.gz YQRUYSPPKNBDPM-JOYOIKCWSA-N 1 0 246.310 1.092 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)NC2(C3CC3)CC2)C1 ZINC000564651204 384943311 /nfs/dbraw/zinc/94/33/11/384943311.db2.gz YUXMMNXJHATNCY-ONGXEEELSA-N 1 0 222.332 1.563 10 0 BDAERO CC(C)CS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000058259402 384993548 /nfs/dbraw/zinc/99/35/48/384993548.db2.gz NGQLOUQJZFCJNV-SNVBAGLBSA-N 1 0 219.350 1.057 10 0 BDAERO CCOC[C@@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000309984965 385000500 /nfs/dbraw/zinc/00/05/00/385000500.db2.gz XWUUSJCSUZKRQK-NEPJUHHUSA-N 1 0 227.348 1.818 10 0 BDAERO CC(C)N1CC[C@@H]([NH2+]C2(C(C)C)CC2)C1=O ZINC000339510425 385009335 /nfs/dbraw/zinc/00/93/35/385009335.db2.gz QZDJKORXQWBRSH-LLVKDONJSA-N 1 0 224.348 1.774 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)sn1 ZINC000404461172 385010165 /nfs/dbraw/zinc/01/01/65/385010165.db2.gz RKVMKPNJVVUXPL-SCZZXKLOSA-N 1 0 239.344 1.208 10 0 BDAERO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000105641716 385052873 /nfs/dbraw/zinc/05/28/73/385052873.db2.gz IOJANHDPMBVRLJ-SKDRFNHKSA-N 1 0 226.320 1.653 10 0 BDAERO COC(=O)c1cccc2[nH]cc(CC[NH3+])c21 ZINC000059939325 385062702 /nfs/dbraw/zinc/06/27/02/385062702.db2.gz AISPDKSTIOLAQU-UHFFFAOYSA-N 1 0 218.256 1.456 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccns3)C[C@@H]12 ZINC000404506808 385023627 /nfs/dbraw/zinc/02/36/27/385023627.db2.gz MUHKJPXLTMLZNC-JMJZKYOTSA-N 1 0 223.345 1.312 10 0 BDAERO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2O)cnn1C ZINC000086552059 385025859 /nfs/dbraw/zinc/02/58/59/385025859.db2.gz XMCMLEZZDQJDSI-VXGBXAGGSA-N 1 0 223.320 1.122 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](Cc3cncs3)C2)cn1 ZINC000128384356 385029571 /nfs/dbraw/zinc/02/95/71/385029571.db2.gz WTBNAULTMWHZQH-JTQLQIEISA-N 1 0 248.355 1.866 10 0 BDAERO CCc1cc(N2C[C@H](C)C[C@H](O)C2)cc[nH+]1 ZINC000336275328 385111876 /nfs/dbraw/zinc/11/18/76/385111876.db2.gz PCKFYEXKLFPASD-MFKMUULPSA-N 1 0 220.316 1.851 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1C(=O)Cc1ccccc1O ZINC000157295784 385134159 /nfs/dbraw/zinc/13/41/59/385134159.db2.gz FWHKIBDROHEEQK-LBPRGKRZSA-N 1 0 248.326 1.275 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC12CC2 ZINC000424219761 385137795 /nfs/dbraw/zinc/13/77/95/385137795.db2.gz FFOJWSLIAVDDFN-AEJSXWLSSA-N 1 0 208.305 1.043 10 0 BDAERO C[C@@H](C[NH3+])c1noc(-c2cscn2)n1 ZINC000062361998 385138722 /nfs/dbraw/zinc/13/87/22/385138722.db2.gz GDIHYUOSHFMXRY-YFKPBYRVSA-N 1 0 210.262 1.255 10 0 BDAERO CC[C@H]([NH3+])c1noc(-c2cscn2)n1 ZINC000062361911 385138968 /nfs/dbraw/zinc/13/89/68/385138968.db2.gz GARMOANOUGQXSC-YFKPBYRVSA-N 1 0 210.262 1.603 10 0 BDAERO CC[C@@H](O)CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000644686302 385104967 /nfs/dbraw/zinc/10/49/67/385104967.db2.gz FBQVBGAGUIHQFW-CYBMUJFWSA-N 1 0 220.316 1.815 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccccc2F)C1 ZINC000310539847 385107039 /nfs/dbraw/zinc/10/70/39/385107039.db2.gz SHVUYDTWWDLENC-NEPJUHHUSA-N 1 0 239.290 1.407 10 0 BDAERO CN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(F)cc1 ZINC000062208822 385165843 /nfs/dbraw/zinc/16/58/43/385165843.db2.gz DIXXWMKRKCSIPO-KOLCDFICSA-N 1 0 208.236 1.056 10 0 BDAERO C[C@H]1CSC[C@H]1[NH2+]CC1CC(O)C1 ZINC000307571432 385168860 /nfs/dbraw/zinc/16/88/60/385168860.db2.gz CXNODNHFQYJHBQ-AUXWQGHOSA-N 1 0 201.335 1.098 10 0 BDAERO c1nc2c([nH]1)[C@H]([C@@H]1CCSC1)[NH2+]CC2 ZINC000259321056 385213013 /nfs/dbraw/zinc/21/30/13/385213013.db2.gz JSISDOXBRLRWNR-APPZFPTMSA-N 1 0 209.318 1.350 10 0 BDAERO c1nc2c([nH]1)[C@H]([C@H]1CCSC1)[NH2+]CC2 ZINC000259321057 385213636 /nfs/dbraw/zinc/21/36/36/385213636.db2.gz JSISDOXBRLRWNR-CBAPKCEASA-N 1 0 209.318 1.350 10 0 BDAERO Cc1nnc(SC[C@H]2CCCC[NH2+]2)o1 ZINC000051038670 385256464 /nfs/dbraw/zinc/25/64/64/385256464.db2.gz XXGQEIFKGVBYLN-MRVPVSSYSA-N 1 0 213.306 1.612 10 0 BDAERO CCSCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000120030625 385221456 /nfs/dbraw/zinc/22/14/56/385221456.db2.gz OPDXKDWZBKLORQ-NWDGAFQWSA-N 1 0 228.405 1.908 10 0 BDAERO CC(C)[C@](C)(O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000305792821 385226356 /nfs/dbraw/zinc/22/63/56/385226356.db2.gz UMDXTLAUXVNUAY-NRWUCQMLSA-N 1 0 241.375 1.797 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1OC(=O)N1CCCCC1 ZINC000131795004 385317788 /nfs/dbraw/zinc/31/77/88/385317788.db2.gz GDMPGZIUUIEGIJ-GHMZBOCLSA-N 1 0 226.320 1.879 10 0 BDAERO Cc1ccc(Cl)c([C@H]([NH3+])CO)c1F ZINC000072197959 385296979 /nfs/dbraw/zinc/29/69/79/385296979.db2.gz YEKQUECRHCCQSS-SSDOTTSWSA-N 1 0 203.644 1.780 10 0 BDAERO [NH3+][C@H](CO)c1cccc(Br)c1F ZINC000072198744 385301899 /nfs/dbraw/zinc/30/18/99/385301899.db2.gz PISJLUHENJOECA-SSDOTTSWSA-N 1 0 234.068 1.580 10 0 BDAERO O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H](C(F)F)C1 ZINC000409424485 385331376 /nfs/dbraw/zinc/33/13/76/385331376.db2.gz BZRMBLPPYWOURU-BDAKNGLRSA-N 1 0 232.274 1.242 10 0 BDAERO C1CC[C@@]2(CCC[N@@H+](C3CC[NH2+]CC3)C2)OC1 ZINC000409424401 385332132 /nfs/dbraw/zinc/33/21/32/385332132.db2.gz BUALZMLIPDRIDM-AWEZNQCLSA-N 1 0 238.375 1.774 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CCCc2ccccc2)C1 ZINC000311164112 385347510 /nfs/dbraw/zinc/34/75/10/385347510.db2.gz ZHFSQMSALIXGRK-CABCVRRESA-N 1 0 249.354 1.701 10 0 BDAERO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000154699217 385349155 /nfs/dbraw/zinc/34/91/55/385349155.db2.gz SCAXGQWQQIAJSH-MNOVXSKESA-N 1 0 228.336 1.010 10 0 BDAERO CC(C)(C)C(=O)NCCc1ccc(C[NH3+])cc1 ZINC000168594824 385376457 /nfs/dbraw/zinc/37/64/57/385376457.db2.gz YLPMWDVRPPTXIC-UHFFFAOYSA-N 1 0 234.343 1.850 10 0 BDAERO CCCNC(=O)C[NH2+][C@@H](CC)C(C)(C)C ZINC000309033236 385380116 /nfs/dbraw/zinc/38/01/16/385380116.db2.gz GJCPOQSEIMZVCU-JTQLQIEISA-N 1 0 214.353 1.927 10 0 BDAERO COC(=O)[C@@H](N)[C@@H](C)Oc1ccc(F)cc1 ZINC000169726786 385419132 /nfs/dbraw/zinc/41/91/32/385419132.db2.gz SMFUZPGUYKRTRK-XCBNKYQSSA-N 1 0 227.235 1.093 10 0 BDAERO Cc1ccc(N2CCC[N@H+](CC3CC3)CC2)nn1 ZINC000156140747 385438739 /nfs/dbraw/zinc/43/87/39/385438739.db2.gz CEGLEWQUNFVHGN-UHFFFAOYSA-N 1 0 246.358 1.707 10 0 BDAERO CC[C@@H]([NH2+]CC[C@@H](O)COC)C(C)(C)C ZINC000309164955 385445239 /nfs/dbraw/zinc/44/52/39/385445239.db2.gz IQEQMGZCWMLVPZ-GHMZBOCLSA-N 1 0 217.353 1.798 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccco2)C1 ZINC000170861359 385452037 /nfs/dbraw/zinc/45/20/37/385452037.db2.gz CGSPHNPOILFQDC-SNVBAGLBSA-N 1 0 237.303 1.125 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1CCCC1 ZINC000309135366 385428198 /nfs/dbraw/zinc/42/81/98/385428198.db2.gz SAQYKRKGBMMHJN-GXSJLCMTSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cccnc1 ZINC000295136393 385457451 /nfs/dbraw/zinc/45/74/51/385457451.db2.gz ZBPQUYRKOFZXQK-CMPLNLGQSA-N 1 0 206.289 1.427 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc(F)c(F)c1 ZINC000179059879 385437840 /nfs/dbraw/zinc/43/78/40/385437840.db2.gz VPJSRQRKGVODPL-RDDDGLTNSA-N 1 0 240.253 1.504 10 0 BDAERO OCCCCC[N@@H+]1CCC[C@H]1CCCO ZINC000052762266 385467994 /nfs/dbraw/zinc/46/79/94/385467994.db2.gz DWZGHMGTFFCSMS-LBPRGKRZSA-N 1 0 215.337 1.386 10 0 BDAERO CC[NH+](CC)Cc1c(C)nn(C)c1OC ZINC000156928334 385475946 /nfs/dbraw/zinc/47/59/46/385475946.db2.gz CZIRUVGZRLFKGV-UHFFFAOYSA-N 1 0 211.309 1.579 10 0 BDAERO C[C@@H]1C[C@]2(CC[N@@H+]1C)[NH2+]C(C)(C)CS2 ZINC000156990611 385479795 /nfs/dbraw/zinc/47/97/95/385479795.db2.gz MVMGRQSXKKYAPO-MWLCHTKSSA-N 1 0 214.378 1.912 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)C[NH+](C)C)o1 ZINC000171375891 385480515 /nfs/dbraw/zinc/48/05/15/385480515.db2.gz UBDMKOGCEQMNTE-VIFPVBQESA-N 1 0 210.277 1.327 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCC(C)(C)C)C1 ZINC000309243211 385497479 /nfs/dbraw/zinc/49/74/79/385497479.db2.gz BGOIZBOPQPLVAW-NWDGAFQWSA-N 1 0 229.364 1.894 10 0 BDAERO CCc1nnc(C[NH2+][C@@H](C)[C@@H](C)CC)n1C ZINC000183047824 385503609 /nfs/dbraw/zinc/50/36/09/385503609.db2.gz KXYVZRJWYOBBFS-UWVGGRQHSA-N 1 0 224.352 1.902 10 0 BDAERO CC(C)OC(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183124918 385509981 /nfs/dbraw/zinc/50/99/81/385509981.db2.gz SDUXXKWWFZCHAG-WDEREUQCSA-N 1 0 229.320 1.485 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)o1 ZINC000282152453 385511439 /nfs/dbraw/zinc/51/14/39/385511439.db2.gz CTYYHQZYNKGIKU-GARJFASQSA-N 1 0 236.315 1.906 10 0 BDAERO CCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000309225410 385489447 /nfs/dbraw/zinc/48/94/47/385489447.db2.gz VXFXIRUXBHKDGN-ZYHUDNBSSA-N 1 0 210.321 1.433 10 0 BDAERO CCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000309225406 385490225 /nfs/dbraw/zinc/49/02/25/385490225.db2.gz VXFXIRUXBHKDGN-PWSUYJOCSA-N 1 0 210.321 1.433 10 0 BDAERO CC[C@H]([NH3+])[C@H](O)c1ccc(F)cc1F ZINC000036779496 385534400 /nfs/dbraw/zinc/53/44/00/385534400.db2.gz JLAZGZHUISBNLS-VHSXEESVSA-N 1 0 201.216 1.736 10 0 BDAERO c1cnc2cc([C@H]3C[NH2+]CCO3)ccc2c1 ZINC000257999703 385518901 /nfs/dbraw/zinc/51/89/01/385518901.db2.gz HBMUQAYXTCPAHN-CYBMUJFWSA-N 1 0 214.268 1.896 10 0 BDAERO CC1([NH3+])CCN(c2ncnc3ccccc32)CC1 ZINC000643029402 385523843 /nfs/dbraw/zinc/52/38/43/385523843.db2.gz TXELGECCGZHFOU-UHFFFAOYSA-N 1 0 242.326 1.947 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)c2nccn21 ZINC000379069706 385555317 /nfs/dbraw/zinc/55/53/17/385555317.db2.gz YWWGOJXLIGSHOH-WYUUTHIRSA-N 1 0 235.331 1.782 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1(CO)COC1 ZINC000309468388 385597184 /nfs/dbraw/zinc/59/71/84/385597184.db2.gz QAXAHEVKNCIEAT-NWDGAFQWSA-N 1 0 227.348 1.554 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1(CO)COC1 ZINC000309468387 385597490 /nfs/dbraw/zinc/59/74/90/385597490.db2.gz QAXAHEVKNCIEAT-NEPJUHHUSA-N 1 0 227.348 1.554 10 0 BDAERO CCOC(=O)[C@@H]([NH3+])[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000259710596 385631922 /nfs/dbraw/zinc/63/19/22/385631922.db2.gz VPSBBCAIJKSZNF-JXUBOQSCSA-N 1 0 215.293 1.080 10 0 BDAERO CC(C)[C@H]1C[C@@H]([NH2+]CCn2cncn2)CS1 ZINC000336677555 385609687 /nfs/dbraw/zinc/60/96/87/385609687.db2.gz QDTAJPPUQGKAFF-GHMZBOCLSA-N 1 0 240.376 1.398 10 0 BDAERO CCCc1nc2ccccc2n1CCOCC[NH3+] ZINC000057798983 385651510 /nfs/dbraw/zinc/65/15/10/385651510.db2.gz MRMCWSXTQDNWGI-UHFFFAOYSA-N 1 0 247.342 1.964 10 0 BDAERO C[C@H]([NH2+]Cc1cnns1)[C@@H]1CCCO1 ZINC000336683664 385652050 /nfs/dbraw/zinc/65/20/50/385652050.db2.gz JGUUCTUBSXTYPN-CBAPKCEASA-N 1 0 213.306 1.195 10 0 BDAERO c1cn2c(n1)C[C@H](C[NH2+][C@@H]1CCSC1)CC2 ZINC000309594581 385717653 /nfs/dbraw/zinc/71/76/53/385717653.db2.gz HZUZXMFMUXGTHH-GHMZBOCLSA-N 1 0 237.372 1.541 10 0 BDAERO Cc1c(CNC[C@H](C)C[NH+](C)C)cnn1C ZINC000291799950 385716713 /nfs/dbraw/zinc/71/67/13/385716713.db2.gz XDBOCNTWAIRDBN-JTQLQIEISA-N 1 0 224.352 1.016 10 0 BDAERO Fc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000309532421 385668449 /nfs/dbraw/zinc/66/84/49/385668449.db2.gz DHNXHWIVUVMSJV-XYYAHUGASA-N 1 0 221.275 1.808 10 0 BDAERO CN(c1ccncc1Cl)C1CC([NH3+])C1 ZINC000307621224 385735678 /nfs/dbraw/zinc/73/56/78/385735678.db2.gz GDAASTQKEGTEDN-UHFFFAOYSA-N 1 0 211.696 1.661 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000396763419 385835904 /nfs/dbraw/zinc/83/59/04/385835904.db2.gz NKQVYPMZSMPBRW-GHMZBOCLSA-N 1 0 213.321 1.185 10 0 BDAERO CSC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000308300448 385839877 /nfs/dbraw/zinc/83/98/77/385839877.db2.gz KCNFNMPZFGLOHV-AEJSXWLSSA-N 1 0 201.335 1.195 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1c1ccccc1C ZINC000215985672 385855722 /nfs/dbraw/zinc/85/57/22/385855722.db2.gz VNDFJTYDGPQLKN-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H](c2ccccc2OC)C1 ZINC000215988502 385856006 /nfs/dbraw/zinc/85/60/06/385856006.db2.gz XFAZMAUIINZKLQ-MNOVXSKESA-N 1 0 249.310 1.561 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@]1(F)C1CCOCC1 ZINC000307058514 385884689 /nfs/dbraw/zinc/88/46/89/385884689.db2.gz GICNBBWAHJDQOC-MWLCHTKSSA-N 1 0 201.285 1.751 10 0 BDAERO CC1CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000308901494 385909136 /nfs/dbraw/zinc/90/91/36/385909136.db2.gz KHKYVOWRTVQMDM-UHFFFAOYSA-N 1 0 208.309 1.563 10 0 BDAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cc[nH]n1 ZINC000616598344 385873955 /nfs/dbraw/zinc/87/39/55/385873955.db2.gz WVXTUMHAIOHHDA-NSHDSACASA-N 1 0 223.320 1.972 10 0 BDAERO CCc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)nc(C)n1 ZINC000272811165 385938546 /nfs/dbraw/zinc/93/85/46/385938546.db2.gz CKWHEHOIPOYYEE-GWCFXTLKSA-N 1 0 248.374 1.734 10 0 BDAERO COC(=O)c1cc(C[NH2+][C@H]2C[C@@H]2C)cn1C ZINC000336746704 385963531 /nfs/dbraw/zinc/96/35/31/385963531.db2.gz WTEGABFIEMPBLM-WPRPVWTQSA-N 1 0 222.288 1.310 10 0 BDAERO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)[C@H]1C[C@H]1C ZINC000414106416 385966976 /nfs/dbraw/zinc/96/69/76/385966976.db2.gz QVMLFZQJFLOEPF-XGEHTFHBSA-N 1 0 225.254 1.934 10 0 BDAERO CCOC[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000124000378 385975135 /nfs/dbraw/zinc/97/51/35/385975135.db2.gz YMKYBIUHRSZLLT-LLVKDONJSA-N 1 0 211.309 1.206 10 0 BDAERO [NH3+][C@]1(C2CC2)CCN(Cc2ccccc2)C1 ZINC000575558068 385998583 /nfs/dbraw/zinc/99/85/83/385998583.db2.gz BEPUHVWLJSLTAU-CQSZACIVSA-N 1 0 216.328 2.000 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000336727693 386001911 /nfs/dbraw/zinc/00/19/11/386001911.db2.gz WBCLTXKTABMHQN-IHRRRGAJSA-N 1 0 241.375 1.774 10 0 BDAERO CC(C)OCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113269343 386007516 /nfs/dbraw/zinc/00/75/16/386007516.db2.gz HKFUEZKQURHDJX-CHWSQXEVSA-N 1 0 226.364 1.580 10 0 BDAERO Cc1cccnc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638893636 386008588 /nfs/dbraw/zinc/00/85/88/386008588.db2.gz LZZACHMKUWBCIT-MNOVXSKESA-N 1 0 233.315 1.057 10 0 BDAERO C[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1C[NH3+] ZINC000638892779 386011300 /nfs/dbraw/zinc/01/13/00/386011300.db2.gz XNPZVIGVYPWMLS-MWLCHTKSSA-N 1 0 210.321 1.230 10 0 BDAERO C[NH2+][C@@](C)(CO)c1ccccc1Br ZINC000038121083 386124019 /nfs/dbraw/zinc/12/40/19/386124019.db2.gz GTUFNYVZJJBDBG-JTQLQIEISA-N 1 0 244.132 1.876 10 0 BDAERO Cc1csc(C[C@]2([NH3+])CCSC2)n1 ZINC000575565753 386080245 /nfs/dbraw/zinc/08/02/45/386080245.db2.gz QINIEZNLOGXXLB-SECBINFHSA-N 1 0 214.359 1.828 10 0 BDAERO [NH3+][C@]1(Cc2nccs2)CCSC1 ZINC000575571655 386144726 /nfs/dbraw/zinc/14/47/26/386144726.db2.gz KEZPCRDAQJXNOC-QMMMGPOBSA-N 1 0 200.332 1.520 10 0 BDAERO C[C@H](CCCC[NH3+])N=c1[nH]c2ccccc2[nH]1 ZINC000336729948 386152812 /nfs/dbraw/zinc/15/28/12/386152812.db2.gz XRNUYJLUGSEBNK-SNVBAGLBSA-N 1 0 232.331 1.914 10 0 BDAERO Cc1cc(C(C)C)nc(N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000310275545 386172773 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ZINC000398807966 386997532 /nfs/dbraw/zinc/99/75/32/386997532.db2.gz UITVDXRDMMKAEB-YNEHKIRRSA-N 1 0 227.348 1.504 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCc3ccccn3)C[C@H]2C1 ZINC000398822123 387000558 /nfs/dbraw/zinc/00/05/58/387000558.db2.gz ZOGWWMNXTPQFKK-GZBFAFLISA-N 1 0 246.354 1.717 10 0 BDAERO CC[C@@H]([NH2+]CC(=O)NCC1CC1)C(C)(C)C ZINC000336745623 387002795 /nfs/dbraw/zinc/00/27/95/387002795.db2.gz VQXQWHWSFQAOLK-LLVKDONJSA-N 1 0 226.364 1.927 10 0 BDAERO CC1(C)CC(=O)Nc2ccc([C@@H](O)C[NH3+])cc21 ZINC000575421728 387030318 /nfs/dbraw/zinc/03/03/18/387030318.db2.gz CZAQXDQAXJSQLX-NSHDSACASA-N 1 0 234.299 1.299 10 0 BDAERO CC[NH2+][C@@H]1CO[C@]2(CCS[C@H]2C)C1 ZINC000575461107 387031244 /nfs/dbraw/zinc/03/12/44/387031244.db2.gz CCQOQOMNFZMDNY-LPEHRKFASA-N 1 0 201.335 1.649 10 0 BDAERO O=C1CO[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000575460403 387037335 /nfs/dbraw/zinc/03/73/35/387037335.db2.gz NCCMBDRKNDNBKU-AWEZNQCLSA-N 1 0 231.295 1.621 10 0 BDAERO C[C@@H](CF)Nc1c(N)c[nH+]cc1Br ZINC000575583302 387060871 /nfs/dbraw/zinc/06/08/71/387060871.db2.gz MBNNXFSSQVAAMG-YFKPBYRVSA-N 1 0 248.099 1.618 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H](COC)C(C)C)C1 ZINC000246348115 387076781 /nfs/dbraw/zinc/07/67/81/387076781.db2.gz HPQQGLOZXNUSJJ-QWHCGFSZSA-N 1 0 228.380 1.731 10 0 BDAERO [NH3+]C1(c2cscc2Br)COC1 ZINC000575469973 387110663 /nfs/dbraw/zinc/11/06/63/387110663.db2.gz FMCVOZJCCQPYQU-UHFFFAOYSA-N 1 0 234.118 1.695 10 0 BDAERO CCc1nnc(CN2CCCC3(CC3)C2)n1C ZINC000186951174 387148320 /nfs/dbraw/zinc/14/83/20/387148320.db2.gz CAVVARSKNDAYMX-UHFFFAOYSA-N 1 0 234.347 1.754 10 0 BDAERO CCC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1O)[NH+](C)C ZINC000187058664 387154060 /nfs/dbraw/zinc/15/40/60/387154060.db2.gz QUMRMNCDDJRJAO-GRYCIOLGSA-N 1 0 242.363 1.136 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1C[C@H]1C ZINC000322157123 387154805 /nfs/dbraw/zinc/15/48/05/387154805.db2.gz JGWZZXULPDUACR-NDBYEHHHSA-N 1 0 226.364 1.341 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1C[C@@H]1C ZINC000322157118 387155045 /nfs/dbraw/zinc/15/50/45/387155045.db2.gz JGWZZXULPDUACR-LOWDOPEQSA-N 1 0 226.364 1.341 10 0 BDAERO C1CCN(c2nc3c(s2)C[NH2+]CC3)CC1 ZINC000085955717 387155390 /nfs/dbraw/zinc/15/53/90/387155390.db2.gz FFOCMZYQUSQBAZ-UHFFFAOYSA-N 1 0 223.345 1.779 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1cnn(C)c1Br ZINC000575478334 387159797 /nfs/dbraw/zinc/15/97/97/387159797.db2.gz BKLRIZBWPVQSKZ-WDSKDSINSA-N 1 0 247.140 1.330 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000229210454 387161566 /nfs/dbraw/zinc/16/15/66/387161566.db2.gz FUKHCPXUBWQYCH-QWHCGFSZSA-N 1 0 243.347 1.234 10 0 BDAERO C[C@H]1C[NH2+]Cc2c1c(=O)[nH]n2Cc1ccccc1 ZINC000536956124 387169424 /nfs/dbraw/zinc/16/94/24/387169424.db2.gz YFAYMPJMPOBEMV-JTQLQIEISA-N 1 0 243.310 1.844 10 0 BDAERO C[C@@H]1CSC(NC2CC(F)(F)C2)=[NH+]1 ZINC000575479220 387175122 /nfs/dbraw/zinc/17/51/22/387175122.db2.gz CIXXPJYPZMPTSZ-RXMQYKEDSA-N 1 0 206.261 1.865 10 0 BDAERO CC[C@]1(C(=O)N[C@@H](C)[C@@H]2CCCO2)CC[NH2+]C1 ZINC000062890718 387177095 /nfs/dbraw/zinc/17/70/95/387177095.db2.gz CQFBTADJAWCTOS-GVXVVHGQSA-N 1 0 240.347 1.060 10 0 BDAERO COCCN1CC[N@@H+](C2CCCC2)C[C@H]1C ZINC000120090671 387177685 /nfs/dbraw/zinc/17/76/85/387177685.db2.gz KUQGTXLBKNBOSI-GFCCVEGCSA-N 1 0 226.364 1.582 10 0 BDAERO C[C@@H]1C[C@@H](N)C[N@@H+]1C[C@@H]1CCSC1 ZINC000575588314 387183888 /nfs/dbraw/zinc/18/38/88/387183888.db2.gz AJDDXYGNDHXMGQ-KXUCPTDWSA-N 1 0 200.351 1.161 10 0 BDAERO CC[C@@H]1COC[C@@]12[NH2+]C(C)(C)CS2 ZINC000575482765 387184203 /nfs/dbraw/zinc/18/42/03/387184203.db2.gz SVTJGLSHXKQFEO-SCZZXKLOSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]1CCN1[C@@]1(C[NH3+])CS[C@H](C)C1 ZINC000575590688 387204220 /nfs/dbraw/zinc/20/42/20/387204220.db2.gz KYWVUOFXVXKBDF-BBBLOLIVSA-N 1 0 200.351 1.304 10 0 BDAERO CC1(C)C[C@@]1([NH3+])c1ncncc1Br ZINC000575593427 387225272 /nfs/dbraw/zinc/22/52/72/387225272.db2.gz DYVPCVJOBWWHLR-SECBINFHSA-N 1 0 242.120 1.823 10 0 BDAERO [NH2+]=C(NO)NC[C@@H]1CCCSCC1 ZINC000575484031 387194699 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COc1c(C[NH2+]CCCCF)c(C)nn1C ZINC000336662571 388260810 /nfs/dbraw/zinc/26/08/10/388260810.db2.gz OQMCELMVXPIYRD-UHFFFAOYSA-N 1 0 229.299 1.576 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000449475667 388214660 /nfs/dbraw/zinc/21/46/60/388214660.db2.gz XQEUVETUOKTQTI-FZMZJTMJSA-N 1 0 247.338 1.967 10 0 BDAERO O=C(O[C@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000086229675 256569098 /nfs/dbraw/zinc/56/90/98/256569098.db2.gz QSZQQOYTELOTER-NSHDSACASA-N 1 0 226.320 1.751 10 0 BDAERO O=C(/C=C\c1ccc[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000491951256 388329389 /nfs/dbraw/zinc/32/93/89/388329389.db2.gz DWZHCYCNZQPFSA-SZZPACECSA-N 1 0 245.326 1.335 10 0 BDAERO Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000275637044 388345051 /nfs/dbraw/zinc/34/50/51/388345051.db2.gz UOROQTDOGKJKTD-KWQFWETISA-N 1 0 243.738 1.324 10 0 BDAERO CC[C@@H](C)[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233859709 388349769 /nfs/dbraw/zinc/34/97/69/388349769.db2.gz UOLWPQWETCLQRY-CHWFTXMASA-N 1 0 212.337 1.393 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCCNC(=O)C1 ZINC000300387965 388364515 /nfs/dbraw/zinc/36/45/15/388364515.db2.gz QEOIOGASEYMUCN-OUAUKWLOSA-N 1 0 210.321 1.433 10 0 BDAERO C[NH2+][C@@H](C)C(=O)c1cccc2c1OCC2 ZINC000132685513 388366898 /nfs/dbraw/zinc/36/68/98/388366898.db2.gz RCNTVYHGZYOING-QMMMGPOBSA-N 1 0 205.257 1.412 10 0 BDAERO Cc1cnc(CN[C@H]2CCC[NH2+]CC2)s1 ZINC000235927400 388376106 /nfs/dbraw/zinc/37/61/06/388376106.db2.gz KSZLKGAXYIXMEP-JTQLQIEISA-N 1 0 225.361 1.683 10 0 BDAERO CN(CC[NH3+])C[C@@H]1CCCCC1(F)F ZINC000327506688 388376190 /nfs/dbraw/zinc/37/61/90/388376190.db2.gz PZMOFTKGDYQMEZ-VIFPVBQESA-N 1 0 206.280 1.702 10 0 BDAERO O=C(Nc1cc(Cl)ccn1)[C@@H]1CC[NH2+]C1 ZINC000236047110 388377248 /nfs/dbraw/zinc/37/72/48/388377248.db2.gz VWOZXNPFAJYMBT-SSDOTTSWSA-N 1 0 225.679 1.283 10 0 BDAERO CN(CCOCC[NH3+])c1ncccc1Cl ZINC000300770628 388392297 /nfs/dbraw/zinc/39/22/97/388392297.db2.gz AZTMLYQPVSAHSX-UHFFFAOYSA-N 1 0 229.711 1.147 10 0 BDAERO Cc1cc(C)n(CC[N@@H+]2C[C@@H](C)C[C@H](O)C2)n1 ZINC000335586410 388452074 /nfs/dbraw/zinc/45/20/74/388452074.db2.gz OJUFHORVZOINLD-GWCFXTLKSA-N 1 0 237.347 1.203 10 0 BDAERO Cc1cc(C)n(CC[N@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000335586411 388452162 /nfs/dbraw/zinc/45/21/62/388452162.db2.gz OJUFHORVZOINLD-GXFFZTMASA-N 1 0 237.347 1.203 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC(F)(F)C1 ZINC000336122200 388455976 /nfs/dbraw/zinc/45/59/76/388455976.db2.gz NLNLAPSNIIJXJX-CBAPKCEASA-N 1 0 232.274 1.275 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC(=O)O2)[C@@H]1C ZINC000309598907 388458693 /nfs/dbraw/zinc/45/86/93/388458693.db2.gz JIZUAFNDASCGMF-DBIOUOCHSA-N 1 0 226.320 1.509 10 0 BDAERO CC[C@H](CO)[NH2+][C@H]1CCC[C@H]1CCF ZINC000336655321 388459233 /nfs/dbraw/zinc/45/92/33/388459233.db2.gz NNWJUWZBADHPFX-AXFHLTTASA-N 1 0 203.301 1.875 10 0 BDAERO CC[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC000336685494 388462813 /nfs/dbraw/zinc/46/28/13/388462813.db2.gz UGLLZFVMEAWYDA-JHJVBQTASA-N 1 0 226.364 1.580 10 0 BDAERO CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000336701922 388465632 /nfs/dbraw/zinc/46/56/32/388465632.db2.gz JZUKOIRRTAFQGZ-QWHCGFSZSA-N 1 0 237.347 1.718 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)CCCCOC ZINC000397450109 388470447 /nfs/dbraw/zinc/47/04/47/388470447.db2.gz JROOECZBPFAXBZ-NSHDSACASA-N 1 0 203.326 1.506 10 0 BDAERO CCCc1nsc(N[C@@H](C)C[NH3+])n1 ZINC000083670808 256755173 /nfs/dbraw/zinc/75/51/73/256755173.db2.gz XUFROTBTRSLKBT-LURJTMIESA-N 1 0 200.311 1.250 10 0 BDAERO CC(C)CSCCN[C@@H]1CC[NH2+]C1 ZINC000397487985 388473855 /nfs/dbraw/zinc/47/38/55/388473855.db2.gz WZWHPARIZWBPKJ-SNVBAGLBSA-N 1 0 202.367 1.327 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000328371074 388413060 /nfs/dbraw/zinc/41/30/60/388413060.db2.gz SDRSFUAJRAXDRK-CHWSQXEVSA-N 1 0 226.364 1.485 10 0 BDAERO [NH3+]CC[S@@](=O)c1ccc(Cl)cc1 ZINC000040954689 388430175 /nfs/dbraw/zinc/43/01/75/388430175.db2.gz BUGPWSUTRKSORJ-LBPRGKRZSA-N 1 0 203.694 1.406 10 0 BDAERO CC[C@H]([NH2+]CCn1cncn1)C1CCC1 ZINC000322462354 388435401 /nfs/dbraw/zinc/43/54/01/388435401.db2.gz LVBYFLUKVYWMAA-NSHDSACASA-N 1 0 208.309 1.446 10 0 BDAERO COC(=O)C1=C(O)CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000070460861 388436703 /nfs/dbraw/zinc/43/67/03/388436703.db2.gz XJSVHYPHSCRETF-WDEREUQCSA-N 1 0 241.331 1.485 10 0 BDAERO Cc1c(C[NH2+]CC(C)(C)C(C)(C)O)cnn1C ZINC000393679431 388437879 /nfs/dbraw/zinc/43/78/79/388437879.db2.gz LYQJYTDRCIVASO-UHFFFAOYSA-N 1 0 239.363 1.615 10 0 BDAERO C[NH2+][C@H](C(N)=O)c1cc(Br)cs1 ZINC000041677757 388439437 /nfs/dbraw/zinc/43/94/37/388439437.db2.gz KKZKABYILVMZRK-LURJTMIESA-N 1 0 249.133 1.256 10 0 BDAERO Clc1c2c(nc3ccnn31)CC[NH2+]CC2 ZINC000066055008 388547346 /nfs/dbraw/zinc/54/73/46/388547346.db2.gz HVGZUUMLVVDRQF-UHFFFAOYSA-N 1 0 222.679 1.071 10 0 BDAERO COc1c(C[NH2+]CC(C)(C)OC)c(C)nn1C ZINC000135232593 388486141 /nfs/dbraw/zinc/48/61/41/388486141.db2.gz KKTSRSQKLWULKY-UHFFFAOYSA-N 1 0 241.335 1.252 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000340232396 388489066 /nfs/dbraw/zinc/48/90/66/388489066.db2.gz UGSIBMDOVRVLBY-HBIQZDMRSA-N 1 0 245.388 1.588 10 0 BDAERO COC[C@@H](C)[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000034936856 388493310 /nfs/dbraw/zinc/49/33/10/388493310.db2.gz MEXIMSZYETZZMI-GHMZBOCLSA-N 1 0 242.363 1.448 10 0 BDAERO c1cnc2c(c1)nccc2N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000341020912 388494407 /nfs/dbraw/zinc/49/44/07/388494407.db2.gz VKFGYXITVDBKMJ-GHMZBOCLSA-N 1 0 240.310 1.285 10 0 BDAERO COC[C@@]1(C(=O)Nc2ccc(C)cn2)CCC[NH2+]1 ZINC000649276416 388496793 /nfs/dbraw/zinc/49/67/93/388496793.db2.gz XIYYIKZMUBPMPG-CYBMUJFWSA-N 1 0 249.314 1.097 10 0 BDAERO CCN(CC)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000135577414 388500002 /nfs/dbraw/zinc/50/00/02/388500002.db2.gz WCYZGMOTEHIPEI-LBPRGKRZSA-N 1 0 241.379 1.864 10 0 BDAERO CN(C)C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000397874633 388508006 /nfs/dbraw/zinc/50/80/06/388508006.db2.gz LFUGYGLNFWVNHE-UTUOFQBUSA-N 1 0 238.375 1.484 10 0 BDAERO CN(C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000397874621 388508287 /nfs/dbraw/zinc/50/82/87/388508287.db2.gz LFUGYGLNFWVNHE-QJPTWQEYSA-N 1 0 238.375 1.484 10 0 BDAERO CCC[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)OC ZINC000378833493 388517798 /nfs/dbraw/zinc/51/77/98/388517798.db2.gz TZSWPTMSIGWCGT-GHMZBOCLSA-N 1 0 217.353 1.798 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000348187071 388527126 /nfs/dbraw/zinc/52/71/26/388527126.db2.gz GEOBEAKCCJHPKI-DDHJBXDOSA-N 1 0 213.321 1.569 10 0 BDAERO CCC(CC)C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282586 256769456 /nfs/dbraw/zinc/76/94/56/256769456.db2.gz FQXLJQQPHWUMGI-QWRGUYRKSA-N 1 0 210.321 1.100 10 0 BDAERO C[C@@H]([NH3+])C(=O)c1ccccc1Br ZINC000082351162 388587080 /nfs/dbraw/zinc/58/70/80/388587080.db2.gz GCRRWDZIWFGZRW-ZCFIWIBFSA-N 1 0 228.089 1.979 10 0 BDAERO COC[C@@](C)([NH3+])c1ccc(F)cc1F ZINC000055238528 388597257 /nfs/dbraw/zinc/59/72/57/388597257.db2.gz LZESHIRHQWDMHC-SNVBAGLBSA-N 1 0 201.216 1.785 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361426256 388559995 /nfs/dbraw/zinc/55/99/95/388559995.db2.gz MRILVRSJAVKVGE-UWVGGRQHSA-N 1 0 237.290 1.097 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(C)(C)O)C12CCC2 ZINC000361033087 388560056 /nfs/dbraw/zinc/56/00/56/388560056.db2.gz SDJJFPCATCBLMA-HBNTYKKESA-N 1 0 227.348 1.551 10 0 BDAERO c1cn2c(n1)[C@@H]([NH2+]CC[C@@H]1CCCO1)CC2 ZINC000379010738 388574809 /nfs/dbraw/zinc/57/48/09/388574809.db2.gz LUGNVKHXUQLOBO-QWRGUYRKSA-N 1 0 221.304 1.487 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)[C@H]1C[C@H]1C ZINC000322196487 388666907 /nfs/dbraw/zinc/66/69/07/388666907.db2.gz QBMVGVMPXMCUPN-LDMBFOFVSA-N 1 0 224.348 1.678 10 0 BDAERO CC(C)OC(=O)c1cccnc1N1CC[NH2+]CC1 ZINC000076561635 388668736 /nfs/dbraw/zinc/66/87/36/388668736.db2.gz DIARDWDIBROFST-UHFFFAOYSA-N 1 0 249.314 1.056 10 0 BDAERO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C(C)C)cn1 ZINC000224699677 388668857 /nfs/dbraw/zinc/66/88/57/388668857.db2.gz CRCUKHDCPUMFTG-WCQYABFASA-N 1 0 237.347 1.979 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CCN1C ZINC000247962706 388672179 /nfs/dbraw/zinc/67/21/79/388672179.db2.gz GJTYHAYZPGVWJW-SYQHCUMBSA-N 1 0 240.391 1.610 10 0 BDAERO CC[C@@H]1C[N@H+](C[C@H](C)OC)CCN1CCOC ZINC000248415984 388679127 /nfs/dbraw/zinc/67/91/27/388679127.db2.gz ILMVYOWJVCDACF-QWHCGFSZSA-N 1 0 244.379 1.064 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C(C)C ZINC000246198821 388622606 /nfs/dbraw/zinc/62/26/06/388622606.db2.gz MVXHMFLLOLRCIL-VXGBXAGGSA-N 1 0 241.379 1.814 10 0 BDAERO CC(=O)OC[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC000396165453 388629095 /nfs/dbraw/zinc/62/90/95/388629095.db2.gz VOKRTMGCPJNIGN-NSHDSACASA-N 1 0 211.305 1.719 10 0 BDAERO C[C@H]1c2ccsc2CCN1CC(N)=O ZINC000007878200 388629796 /nfs/dbraw/zinc/62/97/96/388629796.db2.gz ILVJDYHJYOJUSM-ZETCQYMHSA-N 1 0 210.302 1.153 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)OCC2CC2)[C@@H](C)C1 ZINC000192893641 388688521 /nfs/dbraw/zinc/68/85/21/388688521.db2.gz LLZQZVFPTQWGHE-JQWIXIFHSA-N 1 0 240.347 1.851 10 0 BDAERO CC[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)C(=O)OC ZINC000248760694 388693413 /nfs/dbraw/zinc/69/34/13/388693413.db2.gz QOTBESDVQZGVOH-GRYCIOLGSA-N 1 0 242.363 1.256 10 0 BDAERO CN1C(=O)OC2(C[NH2+]C2)[C@@H]1c1cccs1 ZINC000521399964 388704332 /nfs/dbraw/zinc/70/43/32/388704332.db2.gz GPYDHPMYJWSGPO-QMMMGPOBSA-N 1 0 224.285 1.213 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)C ZINC000126898099 388707702 /nfs/dbraw/zinc/70/77/02/388707702.db2.gz PKMBYZMNZASTJW-SNVBAGLBSA-N 1 0 214.309 1.605 10 0 BDAERO CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000193566305 388709985 /nfs/dbraw/zinc/70/99/85/388709985.db2.gz WTEPJSMJIIBHHQ-LLVKDONJSA-N 1 0 248.392 1.190 10 0 BDAERO Brc1cnccc1C[C@@H]1C=CC[NH2+]1 ZINC000575459539 388805484 /nfs/dbraw/zinc/80/54/84/388805484.db2.gz SJOBZEDWFXUCFI-VIFPVBQESA-N 1 0 239.116 1.915 10 0 BDAERO [NH3+]C1(Cc2csc(Cl)c2)COC1 ZINC000575461504 388808680 /nfs/dbraw/zinc/80/86/80/388808680.db2.gz REMMOOSEGDBOFH-UHFFFAOYSA-N 1 0 203.694 1.672 10 0 BDAERO O=C1C[C@@]2(CCC[N@H+](Cc3ccccc3)C2)NN1 ZINC000575461268 388810756 /nfs/dbraw/zinc/81/07/56/388810756.db2.gz SDZPRBYVUWSAKZ-CQSZACIVSA-N 1 0 245.326 1.046 10 0 BDAERO [NH3+]CC[C@H](O)c1ncsc1Br ZINC000575455460 388774637 /nfs/dbraw/zinc/77/46/37/388774637.db2.gz FCMAJUIJKASEOS-BYPYZUCNSA-N 1 0 237.122 1.288 10 0 BDAERO [NH3+]CC[C@@H](O)c1ncsc1Br ZINC000575455461 388774944 /nfs/dbraw/zinc/77/49/44/388774944.db2.gz FCMAJUIJKASEOS-SCSAIBSYSA-N 1 0 237.122 1.288 10 0 BDAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)C1CCS(=O)(=O)CC1 ZINC000250096819 388782645 /nfs/dbraw/zinc/78/26/45/388782645.db2.gz QWPJDUJUTZUZQE-KKZNHRDASA-N 1 0 231.361 1.198 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C2CC2)C1 ZINC000253356096 388815636 /nfs/dbraw/zinc/81/56/36/388815636.db2.gz WLKAUSWJKBQQFH-ZYHUDNBSSA-N 1 0 239.363 1.568 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229646924 388863050 /nfs/dbraw/zinc/86/30/50/388863050.db2.gz LFEYNRUQOZATBW-GFCCVEGCSA-N 1 0 243.310 1.536 10 0 BDAERO C/C(=C/Cl)CN1C[C@H]([NH3+])CC[C@@H]1C ZINC000575484533 388868534 /nfs/dbraw/zinc/86/85/34/388868534.db2.gz YQUTWMCKWNAYNY-FGRQDEOASA-N 1 0 202.729 1.941 10 0 BDAERO C[C@H](O)C1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000575471090 388847264 /nfs/dbraw/zinc/84/72/64/388847264.db2.gz XLRRAOCCSFEXDP-LBPRGKRZSA-N 1 0 234.343 1.361 10 0 BDAERO FCCCCC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404142849 388950034 /nfs/dbraw/zinc/95/00/34/388950034.db2.gz HCFRXOYXKNQXPY-NWDGAFQWSA-N 1 0 230.327 1.189 10 0 BDAERO [NH3+]C1([C@@H](O)c2occc2Br)CCC1 ZINC000575497215 388979537 /nfs/dbraw/zinc/97/95/37/388979537.db2.gz FZDGUUSHMNZPKY-QMMMGPOBSA-N 1 0 246.104 1.957 10 0 BDAERO CC1CC(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000566004601 388982148 /nfs/dbraw/zinc/98/21/48/388982148.db2.gz KWTCXACDTYYWSN-IUCVHNFVSA-N 1 0 236.359 1.618 10 0 BDAERO c1ccc2c(c1)C[C@@H]2C[NH+]1CCOCC1 ZINC000266873985 388997483 /nfs/dbraw/zinc/99/74/83/388997483.db2.gz LNDLZPCBYMHMHN-GFCCVEGCSA-N 1 0 203.285 1.659 10 0 BDAERO CCc1nc(C)c(C)c(N2CCC([NH3+])CC2)n1 ZINC000045951019 132299315 /nfs/dbraw/zinc/29/93/15/132299315.db2.gz DMPAYTXMFXPCRA-UHFFFAOYSA-N 1 0 234.347 1.583 10 0 BDAERO C[NH+]1CCN(c2cccc(Cl)c2CO)CC1 ZINC000034956768 132337284 /nfs/dbraw/zinc/33/72/84/132337284.db2.gz KNYJEIFAJKGEII-UHFFFAOYSA-N 1 0 240.734 1.584 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCC[C@H](O)C1 ZINC000042469596 132352433 /nfs/dbraw/zinc/35/24/33/132352433.db2.gz VQFSBESZPLNSDH-LBPRGKRZSA-N 1 0 220.316 1.367 10 0 BDAERO C[C@@H]1CN(c2cccc(C[NH3+])n2)C[C@H](C)O1 ZINC000051396172 132360215 /nfs/dbraw/zinc/36/02/15/132360215.db2.gz CEGZLCMFGRUKLY-AOOOYVTPSA-N 1 0 221.304 1.154 10 0 BDAERO CC[C@H]1COCCN1c1ccnc(C[NH3+])c1 ZINC000051397050 132360414 /nfs/dbraw/zinc/36/04/14/132360414.db2.gz JOMXBZQZAWSEGP-NSHDSACASA-N 1 0 221.304 1.156 10 0 BDAERO CC[C@H]1CN(c2cccc(C[NH3+])n2)CCO1 ZINC000051396882 132360421 /nfs/dbraw/zinc/36/04/21/132360421.db2.gz AFGQUMVIRXNBTG-NSHDSACASA-N 1 0 221.304 1.156 10 0 BDAERO C[C@H]([NH3+])Cc1ccnc(N2CCCCC2)n1 ZINC000054834478 132365162 /nfs/dbraw/zinc/36/51/62/132365162.db2.gz IBTHGQXEGRWCPS-JTQLQIEISA-N 1 0 220.320 1.357 10 0 BDAERO Cc1cnc(C)c(N2CCCC[C@@H]2CC[NH3+])n1 ZINC000070073879 132391371 /nfs/dbraw/zinc/39/13/71/132391371.db2.gz LCYXUNLEBGLXNZ-GFCCVEGCSA-N 1 0 234.347 1.801 10 0 BDAERO C(=C/c1ccccc1)\CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000334819498 533353988 /nfs/dbraw/zinc/35/39/88/533353988.db2.gz ILOFTELOHSWOKK-SJPZSHDVSA-N 1 0 244.338 1.372 10 0 BDAERO C([C@@H]1CCCC[N@@H+]1C1CCC1)N1CCOCC1 ZINC000178997380 533375091 /nfs/dbraw/zinc/37/50/91/533375091.db2.gz LEJRSCTZCHGOCI-AWEZNQCLSA-N 1 0 238.375 1.726 10 0 BDAERO Cc1cccc(N2CCC(C[NH3+])CC2)n1 ZINC000044514867 132224990 /nfs/dbraw/zinc/22/49/90/132224990.db2.gz UUGYSBGLUABHRM-UHFFFAOYSA-N 1 0 205.305 1.565 10 0 BDAERO Fc1ccc2ccoc2c1N1CC[NH2+]CC1 ZINC000013741478 132244078 /nfs/dbraw/zinc/24/40/78/132244078.db2.gz NTJMWPWHUJJIOE-UHFFFAOYSA-N 1 0 220.247 1.982 10 0 BDAERO Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nnc1C ZINC000302276072 132262353 /nfs/dbraw/zinc/26/23/53/132262353.db2.gz HVADPUKKRXVWAF-CYBMUJFWSA-N 1 0 246.358 1.768 10 0 BDAERO CCc1nc(CC)c(C)c(N2CC[NH2+]CC2)n1 ZINC000045950798 132299188 /nfs/dbraw/zinc/29/91/88/132299188.db2.gz OOTJMSPMVAIGSH-UHFFFAOYSA-N 1 0 234.347 1.319 10 0 BDAERO C[C@H]1CCCN(c2nc3c(c(NN)[nH+]2)CCC3)C1 ZINC000057328576 132300834 /nfs/dbraw/zinc/30/08/34/132300834.db2.gz VPDUZISOKOMDCR-VIFPVBQESA-N 1 0 247.346 1.487 10 0 BDAERO CC(=O)Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC000011570314 132319785 /nfs/dbraw/zinc/31/97/85/132319785.db2.gz YSAGBPKXODMPLA-UHFFFAOYSA-N 1 0 219.288 1.055 10 0 BDAERO NC(=S)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000019427536 132324870 /nfs/dbraw/zinc/32/48/70/132324870.db2.gz UUSLORACFSNFPI-UHFFFAOYSA-N 1 0 249.383 1.485 10 0 BDAERO C[C@@H]1CCc2ccccc2N1CC(N)=[NH2+] ZINC000019432909 132324975 /nfs/dbraw/zinc/32/49/75/132324975.db2.gz YULKPPFHJVOYLQ-SECBINFHSA-N 1 0 203.289 1.764 10 0 BDAERO C[C@H]1CN(c2cc[nH+]cc2N)C[C@H](C)O1 ZINC000019763658 132327031 /nfs/dbraw/zinc/32/70/31/132327031.db2.gz KCQKKCABCVOWDM-IUCAKERBSA-N 1 0 207.277 1.277 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CCC[C@@H](C(N)=O)C1 ZINC000019871930 132328289 /nfs/dbraw/zinc/32/82/89/132328289.db2.gz IQCBZRNEZMRUHU-GHMZBOCLSA-N 1 0 247.342 1.408 10 0 BDAERO [NH3+][C@H]1CCc2nc(N3CCCCC3)ncc2C1 ZINC000020286116 132331211 /nfs/dbraw/zinc/33/12/11/132331211.db2.gz CPNBLHGIKGALHP-NSHDSACASA-N 1 0 232.331 1.283 10 0 BDAERO Nc1cc(F)ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000020352087 132331282 /nfs/dbraw/zinc/33/12/82/132331282.db2.gz XQCSEJXUTPMVDM-LLVKDONJSA-N 1 0 235.306 1.692 10 0 BDAERO COc1c(Cl)cccc1N1CC[NH2+]CC1 ZINC000028763680 132334433 /nfs/dbraw/zinc/33/44/33/132334433.db2.gz CWLHQCGNSQBNIP-UHFFFAOYSA-N 1 0 226.707 1.758 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000034823445 132337020 /nfs/dbraw/zinc/33/70/20/132337020.db2.gz PUCRIWYVAWFARD-NSHDSACASA-N 1 0 220.316 1.631 10 0 BDAERO C[C@@H](O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000035631097 132338527 /nfs/dbraw/zinc/33/85/27/132338527.db2.gz DFXRTNRBSIQCSF-SNVBAGLBSA-N 1 0 238.306 1.631 10 0 BDAERO C[C@H](O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000035631096 132338618 /nfs/dbraw/zinc/33/86/18/132338618.db2.gz DFXRTNRBSIQCSF-JTQLQIEISA-N 1 0 238.306 1.631 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1c1cc[nH+]cc1N ZINC000036131874 132339912 /nfs/dbraw/zinc/33/99/12/132339912.db2.gz FEOHSNRJQKVDAA-NXEZZACHSA-N 1 0 221.304 1.668 10 0 BDAERO Cc1[nH+]c(N2C[C@@H](C)O[C@H](C)C2)ccc1N ZINC000036250998 132341803 /nfs/dbraw/zinc/34/18/03/132341803.db2.gz ZZKCYSJBOWMNGC-RKDXNWHRSA-N 1 0 221.304 1.586 10 0 BDAERO CC[C@H]([NH3+])CN1CCN(c2cccc(C)c2)CC1 ZINC000036871981 132342738 /nfs/dbraw/zinc/34/27/38/132342738.db2.gz RHIHJKWJMDRKOM-AWEZNQCLSA-N 1 0 247.386 1.854 10 0 BDAERO C[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000037670336 132344973 /nfs/dbraw/zinc/34/49/73/132344973.db2.gz VSCKSENNMAXSKH-UHFFFAOYSA-N 1 0 205.305 1.578 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(c2ccc(C)cn2)C1 ZINC000040601883 132348285 /nfs/dbraw/zinc/34/82/85/132348285.db2.gz RIYJCFBKCZIFSC-LBPRGKRZSA-N 1 0 219.332 1.826 10 0 BDAERO C[NH2+]CCN1C(=O)CCc2ccc(F)cc21 ZINC000042410015 132351468 /nfs/dbraw/zinc/35/14/68/132351468.db2.gz AUUDFCWDGACBKJ-UHFFFAOYSA-N 1 0 222.263 1.324 10 0 BDAERO COc1ccc(F)cc1N1CCC[C@@H]([NH3+])C1 ZINC000043471519 132353482 /nfs/dbraw/zinc/35/34/82/132353482.db2.gz QKPACHPVNNDERK-SNVBAGLBSA-N 1 0 224.279 1.762 10 0 BDAERO C[NH2+][C@@H](C)CN1c2ccccc2CCC1=O ZINC000043995809 132353569 /nfs/dbraw/zinc/35/35/69/132353569.db2.gz KGHWHCMHIZZGNW-JTQLQIEISA-N 1 0 218.300 1.574 10 0 BDAERO C[C@H]([NH3+])c1ccccc1N1CCS(=O)CC1 ZINC000049691904 132356241 /nfs/dbraw/zinc/35/62/41/132356241.db2.gz OSBVLCYACKIUEJ-JTQLQIEISA-N 1 0 238.356 1.275 10 0 BDAERO C[C@@H]1CN(c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000049708550 132356962 /nfs/dbraw/zinc/35/69/62/132356962.db2.gz HILBGEAMVQKSJU-SKDRFNHKSA-N 1 0 208.280 1.999 10 0 BDAERO C[C@H]1CN(c2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000049711467 132357783 /nfs/dbraw/zinc/35/77/83/132357783.db2.gz SLRBXXNMTHTMFF-FZMZJTMJSA-N 1 0 233.359 1.926 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCO[C@@H](C)C2)c1 ZINC000051400141 132361034 /nfs/dbraw/zinc/36/10/34/132361034.db2.gz NQQMEKNFCUTCFC-JTQLQIEISA-N 1 0 221.304 1.026 10 0 BDAERO Cc1ccc(C[NH3+])c(N2CCO[C@H](C)C2)c1 ZINC000051578577 132361227 /nfs/dbraw/zinc/36/12/27/132361227.db2.gz KRHWEGIWIGQILS-LLVKDONJSA-N 1 0 220.316 1.679 10 0 BDAERO CC[C@H]1CO[C@@H](C)CN1c1cccc(C[NH2+]C)n1 ZINC000051518473 132361237 /nfs/dbraw/zinc/36/12/37/132361237.db2.gz XABVLVQOGNGPTM-AAEUAGOBSA-N 1 0 249.358 1.805 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1c1cc(C[NH2+]C)ccn1 ZINC000051518598 132361320 /nfs/dbraw/zinc/36/13/20/132361320.db2.gz QSIXRPSXWDXPST-DGCLKSJQSA-N 1 0 249.358 1.805 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1c1ncccn1 ZINC000053698153 132363093 /nfs/dbraw/zinc/36/30/93/132363093.db2.gz UMFMSHSZGNZCSY-LLVKDONJSA-N 1 0 220.320 1.445 10 0 BDAERO Cc1ccnc(N2CCC(CC[NH3+])CC2)c1 ZINC000053705866 132363337 /nfs/dbraw/zinc/36/33/37/132363337.db2.gz GCBBMXLSHIDMRP-UHFFFAOYSA-N 1 0 219.332 1.955 10 0 BDAERO C[C@H]1CN(c2ccc(F)cn2)C[C@H](C)[NH2+]1 ZINC000053712517 132363585 /nfs/dbraw/zinc/36/35/85/132363585.db2.gz DATNCVXNFJMVGR-IUCAKERBSA-N 1 0 209.268 1.407 10 0 BDAERO C[C@@H]1CN(c2cncc(F)c2)C[C@@H](C)[NH2+]1 ZINC000053712553 132363614 /nfs/dbraw/zinc/36/36/14/132363614.db2.gz CFCIVFKFWLQVDC-RKDXNWHRSA-N 1 0 209.268 1.407 10 0 BDAERO [NH3+][C@H]1CCCN(c2ccc(F)cc2F)C1 ZINC000055237901 132365248 /nfs/dbraw/zinc/36/52/48/132365248.db2.gz KMQRJCPASRQKIQ-VIFPVBQESA-N 1 0 212.243 1.892 10 0 BDAERO Cc1ccc2c(cccc2N2CC[NH2+]CC2)n1 ZINC000071479017 132393116 /nfs/dbraw/zinc/39/31/16/132393116.db2.gz PZNAAXFCMFHGNR-UHFFFAOYSA-N 1 0 227.311 1.953 10 0 BDAERO C[C@@H]1CCN(c2cnccn2)[C@@H](C[NH3+])C1 ZINC000235372007 132395607 /nfs/dbraw/zinc/39/56/07/132395607.db2.gz BOBUNIDRCJQJKE-NXEZZACHSA-N 1 0 206.293 1.040 10 0 BDAERO C[C@@H]1CCN(c2ncc(F)cn2)[C@@H](C[NH3+])C1 ZINC000235382320 132395614 /nfs/dbraw/zinc/39/56/14/132395614.db2.gz VUQIESLXSZARNZ-PSASIEDQSA-N 1 0 224.283 1.179 10 0 BDAERO C[C@@H](CC(=O)N1CC[C@H](C[NH3+])C1)C(C)(C)C ZINC000082628540 133504447 /nfs/dbraw/zinc/50/44/47/133504447.db2.gz IQQILAJRQPCVMJ-WDEREUQCSA-N 1 0 226.364 1.866 10 0 BDAERO CN(CC(F)(F)F)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085010908 134220985 /nfs/dbraw/zinc/22/09/85/134220985.db2.gz XWPMVSNBQQORFL-BQBZGAKWSA-N 1 0 224.226 1.135 10 0 BDAERO CCn1cncc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000085183913 134224898 /nfs/dbraw/zinc/22/48/98/134224898.db2.gz QYVVPLDMWUZYLR-NWDGAFQWSA-N 1 0 223.320 1.296 10 0 BDAERO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1C[Si](C)(C)C ZINC000172022070 134264442 /nfs/dbraw/zinc/26/44/42/134264442.db2.gz OVHSPMRWZBSOGZ-VHSXEESVSA-N 1 0 245.395 1.126 10 0 BDAERO CN(C(=O)c1cc(F)cc(F)c1)C1C[NH2+]C1 ZINC000085257582 134268928 /nfs/dbraw/zinc/26/89/28/134268928.db2.gz JZCJWJLPJQPVLQ-UHFFFAOYSA-N 1 0 226.226 1.009 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1CCC1 ZINC000173438900 134274351 /nfs/dbraw/zinc/27/43/51/134274351.db2.gz BDWYKWBRVRGPGN-DGCLKSJQSA-N 1 0 236.359 1.872 10 0 BDAERO C([NH2+]C1CCCCC1)[C@@H]1CN(C2CC2)CCO1 ZINC000174364322 134280728 /nfs/dbraw/zinc/28/07/28/134280728.db2.gz NMOQMJHAPTZQGU-CQSZACIVSA-N 1 0 238.375 1.772 10 0 BDAERO CCC[N@H+](CC)CCNC(=O)N[C@H]1C[C@@H]1C ZINC000175762119 134288606 /nfs/dbraw/zinc/28/86/06/134288606.db2.gz AJDGOJCNAKHPRY-QWRGUYRKSA-N 1 0 227.352 1.426 10 0 BDAERO Cc1csc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000177697381 134301195 /nfs/dbraw/zinc/30/11/95/134301195.db2.gz XOBFHYMINWUURG-SNVBAGLBSA-N 1 0 226.345 1.623 10 0 BDAERO O[C@@]12CCCC[C@@H]1C[N@@H+](C1CCOCC1)CC2 ZINC000220403751 134305463 /nfs/dbraw/zinc/30/54/63/134305463.db2.gz WGTQYCQVOWYJTJ-TZMCWYRMSA-N 1 0 239.359 1.792 10 0 BDAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCF)CC2 ZINC000220443256 134305487 /nfs/dbraw/zinc/30/54/87/134305487.db2.gz QGQMOTSMWZKBAQ-VXGBXAGGSA-N 1 0 215.312 1.973 10 0 BDAERO COCC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178362832 134309357 /nfs/dbraw/zinc/30/93/57/134309357.db2.gz OHHAGNRPSPCSQP-GDLCADMTSA-N 1 0 235.327 1.659 10 0 BDAERO CC(C)[C@H](C)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178790427 134311141 /nfs/dbraw/zinc/31/11/41/134311141.db2.gz GWTWQOCLSJKQPN-MNOVXSKESA-N 1 0 212.337 1.537 10 0 BDAERO COC1CC([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000221177281 134317211 /nfs/dbraw/zinc/31/72/11/134317211.db2.gz SXIGOQWYRFYWGJ-XKGSQUFQSA-N 1 0 213.321 1.305 10 0 BDAERO CC[NH+](CC)CCN1CCCO[C@@H](C)C1 ZINC000179290536 134319432 /nfs/dbraw/zinc/31/94/32/134319432.db2.gz NPLKVPRHPWQMLQ-LBPRGKRZSA-N 1 0 214.353 1.439 10 0 BDAERO Cn1ccnc1[C@@H](O)C1CC[NH+](C2CCC2)CC1 ZINC000179576113 134322060 /nfs/dbraw/zinc/32/20/60/134322060.db2.gz ZEFUGEOXYAYNSV-ZDUSSCGKSA-N 1 0 249.358 1.718 10 0 BDAERO CO[C@@H](C)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000182108308 134342059 /nfs/dbraw/zinc/34/20/59/134342059.db2.gz DJYQQBSTOIUIRL-NSHDSACASA-N 1 0 237.347 1.634 10 0 BDAERO CC(C)OC(=O)CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000348122850 134356001 /nfs/dbraw/zinc/35/60/01/134356001.db2.gz WVTFPWPUNOQOMP-NXEZZACHSA-N 1 0 215.293 1.095 10 0 BDAERO CO[C@@H](C)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183807015 134356494 /nfs/dbraw/zinc/35/64/94/134356494.db2.gz AUJPVZGWEWWJON-ZDUSSCGKSA-N 1 0 249.358 1.629 10 0 BDAERO CCC(O)(CC)C[N@@H+]1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000226132069 134359654 /nfs/dbraw/zinc/35/96/54/134359654.db2.gz GXYCRZAQMRBZCQ-NEPJUHHUSA-N 1 0 228.380 1.419 10 0 BDAERO CO[C@@H](C[NH3+])C(=O)Nc1cnc2ccccc2c1 ZINC000227355074 134378364 /nfs/dbraw/zinc/37/83/64/134378364.db2.gz KCEYPFLAKNSDBG-LBPRGKRZSA-N 1 0 245.282 1.147 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCCC1CCCC1 ZINC000227422401 134380101 /nfs/dbraw/zinc/38/01/01/134380101.db2.gz FGIJIQBSEQTTNE-YPMHNXCESA-N 1 0 238.375 1.929 10 0 BDAERO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nnnn1C(C)C ZINC000185650001 134387381 /nfs/dbraw/zinc/38/73/81/134387381.db2.gz WBKNZLZJFZPSOI-MNOVXSKESA-N 1 0 237.351 1.874 10 0 BDAERO Cc1nccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)n1 ZINC000227612442 134388472 /nfs/dbraw/zinc/38/84/72/134388472.db2.gz AKQQCNYZTXTSBU-AAEUAGOBSA-N 1 0 235.331 1.426 10 0 BDAERO Cc1cc2c(N[C@@H](C[NH3+])CC(C)C)nccn2n1 ZINC000129817926 134613937 /nfs/dbraw/zinc/61/39/37/134613937.db2.gz FVKMDWSKIZDAQK-LLVKDONJSA-N 1 0 247.346 1.823 10 0 BDAERO O=C(Nc1cn[nH]c1)c1ccc2c(c1)C[NH2+]C2 ZINC000131017193 134626343 /nfs/dbraw/zinc/62/63/43/134626343.db2.gz PZAHMHLAXJVWAP-UHFFFAOYSA-N 1 0 228.255 1.265 10 0 BDAERO CC(C)n1cncc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000134530691 134712006 /nfs/dbraw/zinc/71/20/06/134712006.db2.gz OYALOMGACTYDDJ-CMPLNLGQSA-N 1 0 223.320 1.731 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248579164 135014315 /nfs/dbraw/zinc/01/43/15/135014315.db2.gz VCTFVJTYQASARQ-MELADBBJSA-N 1 0 241.375 1.894 10 0 BDAERO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248580342 135014510 /nfs/dbraw/zinc/01/45/10/135014510.db2.gz PXURBKQMHGAAHG-QMGNLALYSA-N 1 0 247.338 1.347 10 0 BDAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](C)O ZINC000248657288 135018816 /nfs/dbraw/zinc/01/88/16/135018816.db2.gz SHAXECVZDGBRJQ-JOYOIKCWSA-N 1 0 237.347 1.555 10 0 BDAERO CCOc1cc(N2CC[N@@H+]3CCC[C@H]3C2)ncn1 ZINC000249287626 135028008 /nfs/dbraw/zinc/02/80/08/135028008.db2.gz JFVIXOSOCUHJSQ-NSHDSACASA-N 1 0 248.330 1.160 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]1CC[C@@H](C)O1 ZINC000248985583 135030038 /nfs/dbraw/zinc/03/00/38/135030038.db2.gz WVNRKXNGFDDMKG-MGPQQGTHSA-N 1 0 240.391 1.970 10 0 BDAERO O=C([C@H]1[C@@H]2CCC[C@@H]21)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000249125778 135034537 /nfs/dbraw/zinc/03/45/37/135034537.db2.gz QVSMGTLLNKWPSX-ZZVYKPCYSA-N 1 0 248.370 1.776 10 0 BDAERO CSCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249717159 135043802 /nfs/dbraw/zinc/04/38/02/135043802.db2.gz JMDFSFMPBBYMGX-MNOVXSKESA-N 1 0 215.362 1.993 10 0 BDAERO O[C@@H]1c2ccccc2C[C@H]1[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000250862096 135062122 /nfs/dbraw/zinc/06/21/22/135062122.db2.gz 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OWLIHMIADJREQK-OLZOCXBDSA-N 1 0 248.374 1.479 10 0 BDAERO C[C@@H](CCC[NH3+])Nc1ncncc1Cl ZINC000163766810 135094279 /nfs/dbraw/zinc/09/42/79/135094279.db2.gz KLYIDCPPKASABE-ZETCQYMHSA-N 1 0 214.700 1.669 10 0 BDAERO CC[C@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000252662110 135094542 /nfs/dbraw/zinc/09/45/42/135094542.db2.gz UQOJODBCVRJHAG-UPJWGTAASA-N 1 0 226.364 1.316 10 0 BDAERO Cc1cnc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cn1 ZINC000252672996 135095671 /nfs/dbraw/zinc/09/56/71/135095671.db2.gz GADGDAUKNQXLKO-OCCSQVGLSA-N 1 0 246.358 1.454 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(F)(F)F ZINC000252675285 135095903 /nfs/dbraw/zinc/09/59/03/135095903.db2.gz ZFDSZLGLOSHDFV-YUMQZZPRSA-N 1 0 236.237 1.244 10 0 BDAERO COCC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)C(C)C ZINC000252712413 135100506 /nfs/dbraw/zinc/10/05/06/135100506.db2.gz MJKPVVVDNLQWSN-RWMBFGLXSA-N 1 0 229.364 1.798 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@H]1CCCC[C@@H]1O ZINC000252726207 135102881 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/nfs/dbraw/zinc/11/75/83/135117583.db2.gz GAMKACLTZDFGQZ-NEPJUHHUSA-N 1 0 240.347 1.107 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)[C@H]1CCOC1 ZINC000253082909 135120631 /nfs/dbraw/zinc/12/06/31/135120631.db2.gz XNZMESRMKHAYQP-SDDRHHMPSA-N 1 0 245.363 1.177 10 0 BDAERO C[C@@H](C(=O)N(C)[C@H]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000253170496 135123161 /nfs/dbraw/zinc/12/31/61/135123161.db2.gz GTNPNZMJIFUPNK-WZRBSPASSA-N 1 0 238.375 1.879 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]12 ZINC000253388134 135127091 /nfs/dbraw/zinc/12/70/91/135127091.db2.gz ZEPBJFKMOKRPMT-IVZWLZJFSA-N 1 0 226.320 1.509 10 0 BDAERO CC(C)CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000258010868 135132200 /nfs/dbraw/zinc/13/22/00/135132200.db2.gz FJXNQTWUFBQWKZ-JTQLQIEISA-N 1 0 213.325 1.084 10 0 BDAERO O=C(NCc1ccc2ccccc2c1)C1C[NH2+]C1 ZINC000258646527 135132768 /nfs/dbraw/zinc/13/27/68/135132768.db2.gz FTHGJHJKOOADOH-UHFFFAOYSA-N 1 0 240.306 1.675 10 0 BDAERO Cc1cccc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000257666496 135138489 /nfs/dbraw/zinc/13/84/89/135138489.db2.gz ZFFMABKYAPAYGZ-WDEREUQCSA-N 1 0 205.305 1.929 10 0 BDAERO CCN1CCC[N@@H+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000257779955 135141831 /nfs/dbraw/zinc/14/18/31/135141831.db2.gz OQTYXBGQKPSJGB-STQMWFEESA-N 1 0 226.364 1.318 10 0 BDAERO CCCC[NH+]1CCC(NC2COC2)CC1 ZINC000087597193 135159723 /nfs/dbraw/zinc/15/97/23/135159723.db2.gz UEABDFDPQHSEJS-UHFFFAOYSA-N 1 0 212.337 1.239 10 0 BDAERO Cc1nccc(C[NH2+]C[C@@H]2CCCS2)n1 ZINC000087668271 135162531 /nfs/dbraw/zinc/16/25/31/135162531.db2.gz RBLUTZVKMIRJTQ-NSHDSACASA-N 1 0 223.345 1.770 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000261534411 135166515 /nfs/dbraw/zinc/16/65/15/135166515.db2.gz MHNFMQMFAMMZJA-RCWTZXSCSA-N 1 0 210.321 1.419 10 0 BDAERO CSCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261538062 135175322 /nfs/dbraw/zinc/17/53/22/135175322.db2.gz XIELRWRPHUAKBP-SECBINFHSA-N 1 0 230.377 1.325 10 0 BDAERO C[NH2+]CC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000261539990 135178968 /nfs/dbraw/zinc/17/89/68/135178968.db2.gz DLGASYCOIXJTOK-SNVBAGLBSA-N 1 0 210.321 1.245 10 0 BDAERO C[C@@H]1CCCN(Cc2cncc(F)c2)[C@H]1C[NH3+] ZINC000261540697 135180041 /nfs/dbraw/zinc/18/00/41/135180041.db2.gz HHMFKPHPBOPVPV-MFKMUULPSA-N 1 0 237.322 1.780 10 0 BDAERO C[C@@H]1CCN(Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000261543264 135184139 /nfs/dbraw/zinc/18/41/39/135184139.db2.gz SHEOKYHDYYLYJN-ZYHUDNBSSA-N 1 0 237.322 1.637 10 0 BDAERO O=C(NC1CCCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000261550496 135189538 /nfs/dbraw/zinc/18/95/38/135189538.db2.gz PMUIWCPIPMMRMS-CMPLNLGQSA-N 1 0 208.305 1.045 10 0 BDAERO CCCc1csc(CN(C)C2C[NH2+]C2)n1 ZINC000261552432 135191461 /nfs/dbraw/zinc/19/14/61/135191461.db2.gz RKZPNRYHTUBQNG-UHFFFAOYSA-N 1 0 225.361 1.499 10 0 BDAERO O=C(C[NH2+]CC1CC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261552998 135192400 /nfs/dbraw/zinc/19/24/00/135192400.db2.gz NPAXHFHHQPQBII-BETUJISGSA-N 1 0 236.359 1.635 10 0 BDAERO CCc1nnc(NC[C@@H](C)[NH2+]C)nc1CC ZINC000261560892 135201861 /nfs/dbraw/zinc/20/18/61/135201861.db2.gz AHOXUHVQTDRZBV-MRVPVSSYSA-N 1 0 223.324 1.016 10 0 BDAERO C[C@@H]([NH3+])CN(C)C1CCN(c2ccccc2)CC1 ZINC000261562576 135204226 /nfs/dbraw/zinc/20/42/26/135204226.db2.gz GMVUFYZXRPUCFG-CYBMUJFWSA-N 1 0 247.386 1.934 10 0 BDAERO C[C@@H]1CSCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084311151 135207725 /nfs/dbraw/zinc/20/77/25/135207725.db2.gz RFSHDNLLNDTQPF-GMTAPVOTSA-N 1 0 242.388 1.325 10 0 BDAERO Cc1cncc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261568519 135210185 /nfs/dbraw/zinc/21/01/85/135210185.db2.gz JGNVZPCUPDJODN-GFCCVEGCSA-N 1 0 247.342 1.589 10 0 BDAERO C[C@H](C(=O)N1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000261574138 135215794 /nfs/dbraw/zinc/21/57/94/135215794.db2.gz JCPOHUCTYADHBP-RQJHMYQMSA-N 1 0 224.226 1.135 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1nc(C)cc(OC)n1 ZINC000164213657 135216242 /nfs/dbraw/zinc/21/62/42/135216242.db2.gz SWMGGRMSJPNQLV-JTQLQIEISA-N 1 0 238.335 1.723 10 0 BDAERO CC1(C)CN(C(=O)c2cscn2)CC[C@H]1[NH3+] ZINC000261577080 135218160 /nfs/dbraw/zinc/21/81/60/135218160.db2.gz KWHGHODRMXNJKZ-SECBINFHSA-N 1 0 239.344 1.343 10 0 BDAERO COC[C@H](C)N(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261577599 135219110 /nfs/dbraw/zinc/21/91/10/135219110.db2.gz LEBSDUNVOYEERV-WDEREUQCSA-N 1 0 228.336 1.012 10 0 BDAERO CCC1(CN2CC[C@H]([NH2+]C)C2)CCOCC1 ZINC000261593388 135233602 /nfs/dbraw/zinc/23/36/02/135233602.db2.gz WTDFZKUCIRXRJW-LBPRGKRZSA-N 1 0 226.364 1.487 10 0 BDAERO C[C@H]1CN(Cc2ccn(C(F)F)n2)CC[NH2+]1 ZINC000261546333 135238320 /nfs/dbraw/zinc/23/83/20/135238320.db2.gz KVNGOORZYNIQCT-QMMMGPOBSA-N 1 0 230.262 1.072 10 0 BDAERO O=C([C@H]1C[C@@H]1C1CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261632220 135241965 /nfs/dbraw/zinc/24/19/65/135241965.db2.gz AALDUOSYGSYTQR-OLZOCXBDSA-N 1 0 248.370 1.635 10 0 BDAERO CCCSCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261698617 135246829 /nfs/dbraw/zinc/24/68/29/135246829.db2.gz BILIMVZESKUBMI-SNVBAGLBSA-N 1 0 244.404 1.715 10 0 BDAERO CC[C@H]1C[C@@H](C)CN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 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Cc1cc(C)cc([C@H](C)NC(=O)C2C[NH2+]C2)c1 ZINC000262221298 135285577 /nfs/dbraw/zinc/28/55/77/135285577.db2.gz KMKQHJQTRDTMHZ-NSHDSACASA-N 1 0 232.327 1.700 10 0 BDAERO Cc1cccc([C@H](C)NC(=O)C2C[NH2+]C2)c1C ZINC000262227791 135286104 /nfs/dbraw/zinc/28/61/04/135286104.db2.gz LPAOLXHBXBIGEX-NSHDSACASA-N 1 0 232.327 1.700 10 0 BDAERO Cc1c2ccccc2n(C)c1CNC(N)=[NH2+] ZINC000262451523 135300118 /nfs/dbraw/zinc/30/01/18/135300118.db2.gz ZSBQXBVNTLHUDC-UHFFFAOYSA-N 1 0 216.288 1.470 10 0 BDAERO COc1ccccc1[C@]1(C)C[C@H]1NC(N)=[NH2+] ZINC000262686695 135313954 /nfs/dbraw/zinc/31/39/54/135313954.db2.gz VDOJLLYYRIBJPG-PWSUYJOCSA-N 1 0 219.288 1.208 10 0 BDAERO [NH3+]CCN(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000262944996 135325119 /nfs/dbraw/zinc/32/51/19/135325119.db2.gz JDFRBSNLKNVNTB-ZDUSSCGKSA-N 1 0 238.306 1.282 10 0 BDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cccc(Cl)c1 ZINC000263115271 135333898 /nfs/dbraw/zinc/33/38/98/135333898.db2.gz AOVCZRIRURLUOB-JQWIXIFHSA-N 1 0 240.734 1.010 10 0 BDAERO Cc1ccoc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263151975 135335380 /nfs/dbraw/zinc/33/53/80/135335380.db2.gz DDMKGXMUPMYPQG-SECBINFHSA-N 1 0 248.286 1.214 10 0 BDAERO Cc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)o1 ZINC000263240705 135341877 /nfs/dbraw/zinc/34/18/77/135341877.db2.gz ONVDTOHAKAZAME-SECBINFHSA-N 1 0 248.286 1.214 10 0 BDAERO Cc1ccc(N(C)C(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000164484193 135366923 /nfs/dbraw/zinc/36/69/23/135366923.db2.gz DSXDHFLVHHADND-NSHDSACASA-N 1 0 232.327 1.813 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc3O2)[C@@H]1CO ZINC000299952869 135383116 /nfs/dbraw/zinc/38/31/16/135383116.db2.gz FUKSPJWOQWSKFG-MRVWCRGKSA-N 1 0 247.338 1.693 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081018822 135385325 /nfs/dbraw/zinc/38/53/25/135385325.db2.gz IEVDDYZLIPZTAA-JQWIXIFHSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081018824 135385888 /nfs/dbraw/zinc/38/58/88/135385888.db2.gz IEVDDYZLIPZTAA-CMPLNLGQSA-N 1 0 224.348 1.823 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](CCO)COC)C1 ZINC000164635048 135429720 /nfs/dbraw/zinc/42/97/20/135429720.db2.gz HJMJNONDJPTAPB-WOPDTQHZSA-N 1 0 215.337 1.552 10 0 BDAERO C[C@@H](C(=O)N[C@@H]1CCCCC1(C)C)C1C[NH2+]C1 ZINC000164660057 135432492 /nfs/dbraw/zinc/43/24/92/135432492.db2.gz FNQFBFLQJREKJI-ZYHUDNBSSA-N 1 0 238.375 1.927 10 0 BDAERO CC[C@@H]([NH3+])CNc1nccn2nc(C)cc12 ZINC000164961338 135453724 /nfs/dbraw/zinc/45/37/24/135453724.db2.gz XJBVJIGADJVHKU-SECBINFHSA-N 1 0 219.292 1.187 10 0 BDAERO [NH3+][C@H](C(=O)NCc1cscn1)c1ccccc1 ZINC000083934053 135462013 /nfs/dbraw/zinc/46/20/13/135462013.db2.gz JUACODQRAIWUIW-NSHDSACASA-N 1 0 247.323 1.459 10 0 BDAERO O=C(NCc1ccc(Cl)s1)C1C[NH2+]C1 ZINC000084412476 135471469 /nfs/dbraw/zinc/47/14/69/135471469.db2.gz FVBHAVCGQWUJCA-UHFFFAOYSA-N 1 0 230.720 1.237 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccccc1F ZINC000085356848 135481934 /nfs/dbraw/zinc/48/19/34/135481934.db2.gz YPPXWHCLMGFUIV-JQWIXIFHSA-N 1 0 236.290 1.569 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000085364488 135483035 /nfs/dbraw/zinc/48/30/35/135483035.db2.gz LYKXVNIMXSRVRU-ZJUUUORDSA-N 1 0 244.298 1.629 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCCCc1ccccc1 ZINC000085365252 135483139 /nfs/dbraw/zinc/48/31/39/135483139.db2.gz XMYPZNVPWRTVLE-KGLIPLIRSA-N 1 0 246.354 1.863 10 0 BDAERO [NH3+]CC(=O)Nc1cc(Br)ccc1O ZINC000087049120 135501672 /nfs/dbraw/zinc/50/16/72/135501672.db2.gz HCOZIRZHZPZKDR-UHFFFAOYSA-N 1 0 245.076 1.052 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCCCCF)C1 ZINC000401580865 533673150 /nfs/dbraw/zinc/67/31/50/533673150.db2.gz JXXCYCUDIPOSIQ-GHMZBOCLSA-N 1 0 203.301 1.829 10 0 BDAERO C[C@@H](C(=O)N1CCCCC(C)(C)C1)C1C[NH2+]C1 ZINC000335002236 135863007 /nfs/dbraw/zinc/86/30/07/135863007.db2.gz MBDPYHXYOMUQQU-LLVKDONJSA-N 1 0 238.375 1.881 10 0 BDAERO CCc1noc(C)c1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000335301773 136021006 /nfs/dbraw/zinc/02/10/06/136021006.db2.gz JCFFJNDSTIDLBL-KCJUWKMLSA-N 1 0 223.320 1.324 10 0 BDAERO C[C@@H]1CN(C(=O)c2cc(Cl)ccn2)C[C@@H]1[NH3+] ZINC000335378053 136086362 /nfs/dbraw/zinc/08/63/62/136086362.db2.gz BFOUZHHLKTYLKT-APPZFPTMSA-N 1 0 239.706 1.154 10 0 BDAERO CC(C)c1nsc(N[C@H]2CC[NH2+]C2)n1 ZINC000083670304 322861238 /nfs/dbraw/zinc/86/12/38/322861238.db2.gz XTSQAEQGOYSSSF-ZETCQYMHSA-N 1 0 212.322 1.435 10 0 BDAERO Cc1cc(C)cc(-n2nncc2C[NH3+])c1 ZINC000062246683 397737499 /nfs/dbraw/zinc/73/74/99/397737499.db2.gz PRLABEQKALFMLB-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO CO[C@H](C)C[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000408047195 397840089 /nfs/dbraw/zinc/84/00/89/397840089.db2.gz OLRACSBPXSSION-SCZZXKLOSA-N 1 0 225.292 1.202 10 0 BDAERO [NH3+]Cc1nccnc1-c1ccc(F)cc1 ZINC000082531844 397934087 /nfs/dbraw/zinc/93/40/87/397934087.db2.gz KRFKLGAVFNAAJI-UHFFFAOYSA-N 1 0 203.220 1.741 10 0 BDAERO [NH3+]C1(Cc2sccc2Cl)COC1 ZINC000575472167 397954536 /nfs/dbraw/zinc/95/45/36/397954536.db2.gz CPZGPIWEZXENOX-UHFFFAOYSA-N 1 0 203.694 1.672 10 0 BDAERO CC[C@@H]1COC[C@]12[NH2+]CC[C@H](C)S2 ZINC000575479678 397959360 /nfs/dbraw/zinc/95/93/60/397959360.db2.gz FADRZDHCLIVEHJ-IVZWLZJFSA-N 1 0 201.335 1.854 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N(C)CCC(C)C ZINC000037817926 397962225 /nfs/dbraw/zinc/96/22/25/397962225.db2.gz DJKBYFKVCDBIKS-SNVBAGLBSA-N 1 0 200.326 1.618 10 0 BDAERO [NH3+]C[C@@]1([C@H]2CCCOC2)CCCS1 ZINC000306867306 397923720 /nfs/dbraw/zinc/92/37/20/397923720.db2.gz PDFQKIAEDHRGCD-VHSXEESVSA-N 1 0 201.335 1.638 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3ccnc32)C1 ZINC000382223720 397924235 /nfs/dbraw/zinc/92/42/35/397924235.db2.gz BIOUCTLREBPHHG-GMTAPVOTSA-N 1 0 221.304 1.221 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cn[nH]c2)CC1 ZINC000616686256 397926516 /nfs/dbraw/zinc/92/65/16/397926516.db2.gz HGLBYKOSBXNDGD-NSHDSACASA-N 1 0 223.320 1.972 10 0 BDAERO C[C@H]1C[C@@H](N)C[N@@H+]1[C@H]1CCS[C@H]1C ZINC000575592405 397991015 /nfs/dbraw/zinc/99/10/15/397991015.db2.gz RLPISWKGEPOMSZ-QEYWKRMJSA-N 1 0 200.351 1.302 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000300578306 397995237 /nfs/dbraw/zinc/99/52/37/397995237.db2.gz FUSAFUDOXGIZRS-PWSUYJOCSA-N 1 0 236.363 1.764 10 0 BDAERO C[C@H]1C[NH2+]CC[C@]1(F)c1cncs1 ZINC000575470900 398003002 /nfs/dbraw/zinc/00/30/02/398003002.db2.gz JGMDDWOPNZANHC-IONNQARKSA-N 1 0 200.282 1.937 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cccc(OC(F)F)c1 ZINC000054073660 398025405 /nfs/dbraw/zinc/02/54/05/398025405.db2.gz LRMPXZXLSCJAEJ-SSDOTTSWSA-N 1 0 244.241 1.834 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)C1CC1 ZINC000336732864 398028160 /nfs/dbraw/zinc/02/81/60/398028160.db2.gz JPQKSOGFQVJMOB-WDEREUQCSA-N 1 0 224.348 1.822 10 0 BDAERO [NH3+]C[C@H](O)c1ccc(Br)s1 ZINC000043265229 397971037 /nfs/dbraw/zinc/97/10/37/397971037.db2.gz LYVCMUPALSKCNE-BYPYZUCNSA-N 1 0 222.107 1.503 10 0 BDAERO Clc1ccc2c(c1)CCN2CC1=[NH+]CCN1 ZINC000211640102 398049968 /nfs/dbraw/zinc/04/99/68/398049968.db2.gz MTFKDWZFIRAIGD-UHFFFAOYSA-N 1 0 235.718 1.704 10 0 BDAERO [NH3+]CCc1cnc([C@@H]2CSCCO2)s1 ZINC000307118679 397980641 /nfs/dbraw/zinc/98/06/41/397980641.db2.gz XIQWGCCJGKXXLV-QMMMGPOBSA-N 1 0 230.358 1.449 10 0 BDAERO CC(C)C[C@H]([NH3+])[C@@H](O)COCc1ccccc1 ZINC000584626038 398079551 /nfs/dbraw/zinc/07/95/51/398079551.db2.gz DVJMUWRLVGOJBD-KBPBESRZSA-N 1 0 237.343 1.938 10 0 BDAERO C[NH+](C)CCCN1C(=O)CC2(CCCC2)C1=O ZINC000584624836 398079604 /nfs/dbraw/zinc/07/96/04/398079604.db2.gz AYKBNKLSQHGIGT-UHFFFAOYSA-N 1 0 238.331 1.257 10 0 BDAERO C[C@H](Cc1ccccc1)n1cc(C[NH3+])nn1 ZINC000409423500 398085238 /nfs/dbraw/zinc/08/52/38/398085238.db2.gz OTCFTIYDLRRUSH-SNVBAGLBSA-N 1 0 216.288 1.541 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1C(=O)c1cncnc1 ZINC000226475068 398091582 /nfs/dbraw/zinc/09/15/82/398091582.db2.gz QAGIQMHJLVKMSO-ZJUUUORDSA-N 1 0 205.261 1.177 10 0 BDAERO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2O)on1 ZINC000309050855 398103544 /nfs/dbraw/zinc/10/35/44/398103544.db2.gz PTGRGKUDBRRCJB-MWLCHTKSSA-N 1 0 210.277 1.234 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)[C@@H]1CCCO1 ZINC000309120216 398115517 /nfs/dbraw/zinc/11/55/17/398115517.db2.gz SYHWJWQBTNXODZ-USZNOCQGSA-N 1 0 213.321 1.569 10 0 BDAERO C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1cc(C)no1 ZINC000381622095 398110506 /nfs/dbraw/zinc/11/05/06/398110506.db2.gz IUTYNNKAGWPTBU-NXEZZACHSA-N 1 0 227.283 1.115 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)[C@H]1CCCO1 ZINC000309120215 398115002 /nfs/dbraw/zinc/11/50/02/398115002.db2.gz SYHWJWQBTNXODZ-FIQHERPVSA-N 1 0 213.321 1.569 10 0 BDAERO C/C=C\C[NH2+]C[C@@H](O)COCCCC ZINC000384705811 398123980 /nfs/dbraw/zinc/12/39/80/398123980.db2.gz CBUJLUBRNFAZOB-USEMIUTHSA-N 1 0 201.310 1.330 10 0 BDAERO [NH3+]C1CC(CN2C(=O)c3ccccc3C2=O)C1 ZINC000575505007 398124401 /nfs/dbraw/zinc/12/44/01/398124401.db2.gz IPLJYBQVEZDWJP-UHFFFAOYSA-N 1 0 230.267 1.020 10 0 BDAERO C[NH2+]CCOCCN(C)c1ncccc1Cl ZINC000630531343 398131786 /nfs/dbraw/zinc/13/17/86/398131786.db2.gz VFAWQDJHVKQLFV-UHFFFAOYSA-N 1 0 243.738 1.407 10 0 BDAERO Cc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)nc(C)n1 ZINC000389728375 398130058 /nfs/dbraw/zinc/13/00/58/398130058.db2.gz NEPGBZHGALZVRF-LDYMZIIASA-N 1 0 220.320 1.503 10 0 BDAERO CC(C)C[NH2+]C[C@H](C)CN1CCOCC1(C)C ZINC000052546068 167006540 /nfs/dbraw/zinc/00/65/40/167006540.db2.gz LVEOZAJNGDXMAF-ZDUSSCGKSA-N 1 0 242.407 1.979 10 0 BDAERO CC(C)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000309086345 167010996 /nfs/dbraw/zinc/01/09/96/167010996.db2.gz YCFKSLROFDRRRK-ZYHUDNBSSA-N 1 0 210.321 1.289 10 0 BDAERO C[NH2+]CCS(=O)(=O)c1cccc(Cl)c1 ZINC000071543332 173357633 /nfs/dbraw/zinc/35/76/33/173357633.db2.gz MTAATQIGHPSKFR-UHFFFAOYSA-N 1 0 233.720 1.333 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250367504 487529094 /nfs/dbraw/zinc/52/90/94/487529094.db2.gz ZBXCKVWTUFTRPE-WRWGMCAJSA-N 1 0 222.332 1.195 10 0 BDAERO CC(C)[NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000037815451 167098367 /nfs/dbraw/zinc/09/83/67/167098367.db2.gz ZYJMDLHORAZKKM-RYUDHWBXSA-N 1 0 240.347 1.154 10 0 BDAERO COCC[NH2+]Cc1ccnc(C(C)C)n1 ZINC000054792528 174336268 /nfs/dbraw/zinc/33/62/68/174336268.db2.gz KRAQGGGOWVLDFY-UHFFFAOYSA-N 1 0 209.293 1.336 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N1CCn2ccnc2C1 ZINC000062325192 167112710 /nfs/dbraw/zinc/11/27/10/167112710.db2.gz WMNWBSCQBTYWKG-NSHDSACASA-N 1 0 222.336 1.085 10 0 BDAERO CC(C)[NH2+]C[C@H](O)c1ccc(O)c(N)c1 ZINC000026016776 167114407 /nfs/dbraw/zinc/11/44/07/167114407.db2.gz FDKAXRPNTIXZOI-NSHDSACASA-N 1 0 210.277 1.006 10 0 BDAERO CC(C)[NH2+][C@@H]1CCCC[C@H]1CN1CCOCC1 ZINC000026443111 167135453 /nfs/dbraw/zinc/13/54/53/167135453.db2.gz STGFCDLAXCCJKK-UONOGXRCSA-N 1 0 240.391 1.875 10 0 BDAERO C[C@@H]1CN(c2ccc3nccnc3n2)[C@H](C)C[NH2+]1 ZINC000094726512 487557140 /nfs/dbraw/zinc/55/71/40/487557140.db2.gz YUWPBVJEVWHGOA-NXEZZACHSA-N 1 0 243.314 1.211 10 0 BDAERO c1nc2c(c(NC[C@@H]3CCC[NH2+]3)n1)CCCC2 ZINC000094872458 487561306 /nfs/dbraw/zinc/56/13/06/487561306.db2.gz XWSHOQAZLGUVPQ-JTQLQIEISA-N 1 0 232.331 1.519 10 0 BDAERO C[C@@H]1C[NH2+]CCN1c1ncnc2c1CCCC2 ZINC000094872463 487561213 /nfs/dbraw/zinc/56/12/13/487561213.db2.gz LHUVPEVQCHMAML-SNVBAGLBSA-N 1 0 232.331 1.154 10 0 BDAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094956266 487565478 /nfs/dbraw/zinc/56/54/78/487565478.db2.gz BHPHARNZULCOEB-UWVGGRQHSA-N 1 0 238.306 1.919 10 0 BDAERO CCC1(CNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000225452110 487581150 /nfs/dbraw/zinc/58/11/50/487581150.db2.gz VMVJSGRXPWMJLB-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000336748719 167258839 /nfs/dbraw/zinc/25/88/39/167258839.db2.gz DOUKDOZWKMMZJP-UTUOFQBUSA-N 1 0 215.337 1.957 10 0 BDAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccccn1 ZINC000084446400 322913236 /nfs/dbraw/zinc/91/32/36/322913236.db2.gz NYJHTGSCAZYZJR-KPPDAEKUSA-N 1 0 206.289 1.503 10 0 BDAERO CC(C)[C@H](NC(=O)C1([NH3+])CCOCC1)C1CC1 ZINC000324383231 487592481 /nfs/dbraw/zinc/59/24/81/487592481.db2.gz KVCWWCHLOWHWJZ-NSHDSACASA-N 1 0 240.347 1.045 10 0 BDAERO CC(C)Oc1cc(N)[nH+]cc1OC1CC1 ZINC000095726753 167286750 /nfs/dbraw/zinc/28/67/50/167286750.db2.gz UEXHFWUGYGTOEL-UHFFFAOYSA-N 1 0 208.261 1.992 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]12 ZINC000310907977 487597122 /nfs/dbraw/zinc/59/71/22/487597122.db2.gz CGPOBTJLIMBBMX-CYZMBNFOSA-N 1 0 245.326 1.888 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@H]2CCSC2)CC1 ZINC000225489546 487605011 /nfs/dbraw/zinc/60/50/11/487605011.db2.gz GUIACNOCEBXBGY-RTBKNWGFSA-N 1 0 228.361 1.126 10 0 BDAERO CC(C)SCC[N@@H+]1CC[C@H](CCO)C1 ZINC000308519919 167327143 /nfs/dbraw/zinc/32/71/43/167327143.db2.gz HDYNVSRDEMHDMO-LLVKDONJSA-N 1 0 217.378 1.832 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662441829 409722603 /nfs/dbraw/zinc/72/26/03/409722603.db2.gz NKNZZQZFZDHEPV-UFBFGSQYSA-N 1 0 216.284 1.428 10 0 BDAERO CC(C)SCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336761600 167332037 /nfs/dbraw/zinc/33/20/37/167332037.db2.gz NOZRTIZPDUSDRU-UWVGGRQHSA-N 1 0 230.377 1.385 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](OC)C1CCCC1 ZINC000662711574 409864160 /nfs/dbraw/zinc/86/41/60/409864160.db2.gz ORRHAHSYCGLATG-NWDGAFQWSA-N 1 0 242.363 1.435 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@H](OC)C1CCCC1 ZINC000662711575 409864741 /nfs/dbraw/zinc/86/47/41/409864741.db2.gz ORRHAHSYCGLATG-RYUDHWBXSA-N 1 0 242.363 1.435 10 0 BDAERO Cc1noc2ncnc(N[C@H]3CCC[NH2+]C3)c12 ZINC000071397599 409974734 /nfs/dbraw/zinc/97/47/34/409974734.db2.gz LXQKELIDNYUSLO-QMMMGPOBSA-N 1 0 233.275 1.090 10 0 BDAERO CCCc1nccnc1N1CCC[C@@H]([NH2+]C)C1 ZINC000663270458 410090922 /nfs/dbraw/zinc/09/09/22/410090922.db2.gz MCOXGFRRNNMCFB-LLVKDONJSA-N 1 0 234.347 1.617 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nc([C@H](C)OC)ns1 ZINC000663278601 410092342 /nfs/dbraw/zinc/09/23/42/410092342.db2.gz KQFQSCUVHAHQCY-RQJHMYQMSA-N 1 0 230.337 1.265 10 0 BDAERO C[C@H]1SCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000653176437 410153453 /nfs/dbraw/zinc/15/34/53/410153453.db2.gz VCMMBTPAPDJSQI-DBIOUOCHSA-N 1 0 242.388 1.385 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661155498 410308420 /nfs/dbraw/zinc/30/84/20/410308420.db2.gz UVSMBYQAIHPLMH-GHMZBOCLSA-N 1 0 215.337 1.144 10 0 BDAERO Cc1cccc(NC(=O)C[C@H]([NH3+])C(C)C)n1 ZINC000128881168 410365080 /nfs/dbraw/zinc/36/50/80/410365080.db2.gz LAAATFNZWDUWQW-JTQLQIEISA-N 1 0 221.304 1.702 10 0 BDAERO Cc1csc(CNC(=O)C[C@H]([NH3+])C(C)C)n1 ZINC000128970700 410365977 /nfs/dbraw/zinc/36/59/77/410365977.db2.gz XZHFQOPFCKUXEJ-VIFPVBQESA-N 1 0 241.360 1.441 10 0 BDAERO CC1CC(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000653270745 410508219 /nfs/dbraw/zinc/50/82/19/410508219.db2.gz ATYAKBDUQJMVTL-UHFFFAOYSA-N 1 0 224.348 1.538 10 0 BDAERO CC(C)C(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000038000151 166707987 /nfs/dbraw/zinc/70/79/87/166707987.db2.gz RORSIZXKCOREFE-LBPRGKRZSA-N 1 0 224.348 1.633 10 0 BDAERO [NH3+]C[C@@H]1CN(C[C@@H]2CCCCC2(F)F)CCO1 ZINC000394511252 410805289 /nfs/dbraw/zinc/80/52/89/410805289.db2.gz ZCLFSFWYGZBVQM-WDEREUQCSA-N 1 0 248.317 1.471 10 0 BDAERO CC(C)CCNC(=O)Cc1ccc(C[NH3+])cc1 ZINC000083361193 166847407 /nfs/dbraw/zinc/84/74/07/166847407.db2.gz ATMCVAMBGFJMNP-UHFFFAOYSA-N 1 0 234.343 1.850 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@H](C)CC(F)F ZINC000655484140 410748500 /nfs/dbraw/zinc/74/85/00/410748500.db2.gz RHHVXMSSDVHXRS-RNFRBKRXSA-N 1 0 208.252 1.002 10 0 BDAERO CC(C)CC[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000034936794 166865806 /nfs/dbraw/zinc/86/58/06/166865806.db2.gz IKJXKJPUPMUJOD-LLVKDONJSA-N 1 0 212.337 1.633 10 0 BDAERO CO[C@H]1[C@@H]2CC[C@H]1CN(c1cc(N)[nH+]c(C)n1)C2 ZINC000102217308 410826718 /nfs/dbraw/zinc/82/67/18/410826718.db2.gz ZZJJNPFTCDNQQL-IWIIMEHWSA-N 1 0 248.330 1.228 10 0 BDAERO CCOC1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000040690015 410886758 /nfs/dbraw/zinc/88/67/58/410886758.db2.gz AVZZCHCHUQPUAX-CMPLNLGQSA-N 1 0 242.363 1.387 10 0 BDAERO [NH3+]CC1(CCNc2ncnc3ccsc32)CC1 ZINC000395893238 410866076 /nfs/dbraw/zinc/86/60/76/410866076.db2.gz SKRCERAREOLFMX-UHFFFAOYSA-N 1 0 248.355 1.654 10 0 BDAERO Cc1nc(NCCC2(C[NH3+])CC2)sc1C ZINC000395913366 410866112 /nfs/dbraw/zinc/86/61/12/410866112.db2.gz SOFAQZYQVIVWAP-UHFFFAOYSA-N 1 0 225.361 1.723 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCNC2=O)o1 ZINC000395880461 410867102 /nfs/dbraw/zinc/86/71/02/410867102.db2.gz BWSZPYNCTOHJAH-MNOVXSKESA-N 1 0 236.315 1.765 10 0 BDAERO CC(=O)c1ccc(NC(=O)C[C@H](C)[NH3+])cc1 ZINC000040854172 410894269 /nfs/dbraw/zinc/89/42/69/410894269.db2.gz HYNJPCOYRRLHIA-QMMMGPOBSA-N 1 0 220.272 1.565 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000054597853 167006162 /nfs/dbraw/zinc/00/61/62/167006162.db2.gz UJBGUXZUWLXRAH-CMPLNLGQSA-N 1 0 207.321 1.769 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CCN(c2cnn(C)c2)C1 ZINC000053031188 167006699 /nfs/dbraw/zinc/00/66/99/167006699.db2.gz XCJYSZWMVOYQHQ-LBPRGKRZSA-N 1 0 236.363 1.492 10 0 BDAERO CC(C)C[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC000040408642 167007985 /nfs/dbraw/zinc/00/79/85/167007985.db2.gz YBLNWACMDYYWAR-CQSZACIVSA-N 1 0 218.344 1.947 10 0 BDAERO CC(C)C[NH2+]Cc1ccccc1C(N)=O ZINC000020036915 167010107 /nfs/dbraw/zinc/01/01/07/167010107.db2.gz ZOQRCZCSDKJHSA-UHFFFAOYSA-N 1 0 206.289 1.531 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](Nc2cccnc2)C1 ZINC000045649926 167025404 /nfs/dbraw/zinc/02/54/04/167025404.db2.gz WGSUPEGMWYZEKY-LBPRGKRZSA-N 1 0 205.305 1.976 10 0 BDAERO CC(C)NC(=O)[C@@H](C)[NH2+]C1(C)CCCC1 ZINC000042187114 167079540 /nfs/dbraw/zinc/07/95/40/167079540.db2.gz GDWXWZMZNQYOMY-SNVBAGLBSA-N 1 0 212.337 1.822 10 0 BDAERO CC(C)[NH2+]CC(=O)Nc1cccc2c[nH]nc21 ZINC000037610349 167096523 /nfs/dbraw/zinc/09/65/23/167096523.db2.gz MQVLOSGIJAOCOC-UHFFFAOYSA-N 1 0 232.287 1.499 10 0 BDAERO CC(C)[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@@H]23 ZINC000039287385 167099476 /nfs/dbraw/zinc/09/94/76/167099476.db2.gz GBTQINHCVZUEAU-BXUZGUMPSA-N 1 0 244.338 1.638 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N[C@H]1CCCC[C@H]1O ZINC000052009735 167101859 /nfs/dbraw/zinc/10/18/59/167101859.db2.gz NIDRXXQSMVNMLA-NWDGAFQWSA-N 1 0 242.363 1.184 10 0 BDAERO CC(C)[NH2+]CCN(C)C[C@@H]1CCCO1 ZINC000042308768 167102664 /nfs/dbraw/zinc/10/26/64/167102664.db2.gz GHWWEFNNVODOCN-NSHDSACASA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CNc2ccccc2O1 ZINC000040407424 167112910 /nfs/dbraw/zinc/11/29/10/167112910.db2.gz AMIRWKHEBFFSEE-SNVBAGLBSA-N 1 0 206.289 1.858 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCN(c2cccnc2)C1 ZINC000053010332 167113312 /nfs/dbraw/zinc/11/33/12/167113312.db2.gz PCTGOYNFOCUOPU-LBPRGKRZSA-N 1 0 219.332 1.906 10 0 BDAERO CC(C)[NH2+]C[C@H](O)CN1CCCCCCC1=O ZINC000036950834 167114457 /nfs/dbraw/zinc/11/44/57/167114457.db2.gz JJRNWBYMLMZUCN-LBPRGKRZSA-N 1 0 242.363 1.138 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCN(c2cccnc2)C1 ZINC000053010336 167115057 /nfs/dbraw/zinc/11/50/57/167115057.db2.gz PCTGOYNFOCUOPU-GFCCVEGCSA-N 1 0 219.332 1.906 10 0 BDAERO CC(C)[NH2+]Cc1ccc(N2CCCC2)nn1 ZINC000051399148 167118326 /nfs/dbraw/zinc/11/83/26/167118326.db2.gz UVZXBXUXVVMMKU-UHFFFAOYSA-N 1 0 220.320 1.575 10 0 BDAERO CC(C)[NH2+]Cc1ccccc1N(C)CC(N)=O ZINC000037268923 167121231 /nfs/dbraw/zinc/12/12/31/167121231.db2.gz VQQFCPZRWNUXAY-UHFFFAOYSA-N 1 0 235.331 1.106 10 0 BDAERO CC(C)[NH2+]Cc1cnn([C@H]2CCC[C@H]2O)c1 ZINC000054599530 167121725 /nfs/dbraw/zinc/12/17/25/167121725.db2.gz MPRQQTSSFZBIOR-NWDGAFQWSA-N 1 0 223.320 1.467 10 0 BDAERO CC(C)[NH2+][C@@H](C(N)=O)c1cccc(Cl)c1 ZINC000037869375 167130414 /nfs/dbraw/zinc/13/04/14/167130414.db2.gz JYHMSALVMRMWTF-SNVBAGLBSA-N 1 0 226.707 1.864 10 0 BDAERO CC(C)N[C@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000050270875 167139414 /nfs/dbraw/zinc/13/94/14/167139414.db2.gz FSOZPWYLMGZANX-CQSZACIVSA-N 1 0 244.342 1.870 10 0 BDAERO CC(C)[NH2+][C@H](CO)c1ccc2c(c1)CCO2 ZINC000038115861 167140786 /nfs/dbraw/zinc/14/07/86/167140786.db2.gz YEFDMOJMXBYFRR-GFCCVEGCSA-N 1 0 221.300 1.653 10 0 BDAERO CC(C)OCCC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352660494 167209545 /nfs/dbraw/zinc/20/95/45/167209545.db2.gz SRJQVKAKVLNQLP-NEPJUHHUSA-N 1 0 215.337 1.647 10 0 BDAERO CC(C)OCCOC[C@H]1CCCC[NH2+]1 ZINC000019431183 167248790 /nfs/dbraw/zinc/24/87/90/167248790.db2.gz CWFJDQGASSZGBZ-LLVKDONJSA-N 1 0 201.310 1.570 10 0 BDAERO CC[NH+](CC)C[C@@H](O)c1ccc(OC)c(N)c1 ZINC000098126463 169786564 /nfs/dbraw/zinc/78/65/64/169786564.db2.gz LCRJBTQONRINDR-GFCCVEGCSA-N 1 0 238.331 1.653 10 0 BDAERO CC(C)Oc1ccc(CC(=O)NCC[NH3+])cc1 ZINC000071547249 167291797 /nfs/dbraw/zinc/29/17/97/167291797.db2.gz LVKYKXUNDTXZHH-UHFFFAOYSA-N 1 0 236.315 1.091 10 0 BDAERO CC(C)Oc1nc2c(cc1C[NH3+])CCC2 ZINC000043405861 167314029 /nfs/dbraw/zinc/31/40/29/167314029.db2.gz OUMDHJSDRHEGGL-UHFFFAOYSA-N 1 0 206.289 1.816 10 0 BDAERO CC(C)[C@@H](CN)[N@H+](C)C1CCOCC1 ZINC000036320675 167397540 /nfs/dbraw/zinc/39/75/40/167397540.db2.gz GNCYIUBIZYPTHB-LLVKDONJSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@@H](CCO)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000397717785 410932632 /nfs/dbraw/zinc/93/26/32/410932632.db2.gz UENHDIKJIWGNOV-MNOVXSKESA-N 1 0 217.353 1.392 10 0 BDAERO CC[C@H](O)CCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000398497701 410968380 /nfs/dbraw/zinc/96/83/80/410968380.db2.gz IMXQAFIDXHPVTD-WDEREUQCSA-N 1 0 230.352 1.027 10 0 BDAERO CC(C)SCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000591583205 411128667 /nfs/dbraw/zinc/12/86/67/411128667.db2.gz OOIPCFCRFMYFRA-BDAKNGLRSA-N 1 0 216.350 1.076 10 0 BDAERO CC(C)c1ccccc1OCC[C@@H](O)C[NH3+] ZINC000019668500 167642504 /nfs/dbraw/zinc/64/25/04/167642504.db2.gz JURPTULSFFSKNL-LLVKDONJSA-N 1 0 223.316 1.899 10 0 BDAERO CC(C)c1ccccc1OC[C@H](O)CC[NH3+] ZINC000020399781 167643200 /nfs/dbraw/zinc/64/32/00/167643200.db2.gz GKWMLADCCJBUAJ-LLVKDONJSA-N 1 0 223.316 1.899 10 0 BDAERO CC(C)c1ccn(-c2nccnc2C(N)=[NH2+])n1 ZINC000054380357 167643942 /nfs/dbraw/zinc/64/39/42/167643942.db2.gz CEKPWCKWIJRAFQ-UHFFFAOYSA-N 1 0 230.275 1.070 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000657910159 411164578 /nfs/dbraw/zinc/16/45/78/411164578.db2.gz LECCMPACVOTTPT-GFCCVEGCSA-N 1 0 235.331 1.493 10 0 BDAERO CC[C@@H]1CN(c2nccnc2C)CC[C@@H]1[NH3+] ZINC000214309346 411120227 /nfs/dbraw/zinc/12/02/27/411120227.db2.gz ZSPCFIAFXOCMQU-MNOVXSKESA-N 1 0 220.320 1.349 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)o1 ZINC000300713499 411125452 /nfs/dbraw/zinc/12/54/52/411125452.db2.gz XXLHPKSZNJNNIO-AEJSXWLSSA-N 1 0 237.303 1.288 10 0 BDAERO CC(C)N1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000310554742 411242506 /nfs/dbraw/zinc/24/25/06/411242506.db2.gz XVLDWYFGYJRZQI-KGLIPLIRSA-N 1 0 240.391 1.564 10 0 BDAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cn[nH]c1 ZINC000310574781 411242579 /nfs/dbraw/zinc/24/25/79/411242579.db2.gz PGIQCRRBISUOTM-MWLCHTKSSA-N 1 0 236.319 1.119 10 0 BDAERO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1O ZINC000061882883 411194498 /nfs/dbraw/zinc/19/44/98/411194498.db2.gz IOWVQCMONXRHEW-NEPJUHHUSA-N 1 0 248.326 1.558 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCc1ccco1 ZINC000061883521 411194502 /nfs/dbraw/zinc/19/45/02/411194502.db2.gz ONGQXYUMXRMEPV-CMPLNLGQSA-N 1 0 236.315 1.456 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(O)cc1 ZINC000128945164 411194746 /nfs/dbraw/zinc/19/47/46/411194746.db2.gz YUWJHQBMWJEVQP-LLVKDONJSA-N 1 0 222.288 1.704 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1ccsc1 ZINC000129006672 411198374 /nfs/dbraw/zinc/19/83/74/411198374.db2.gz LVIYMPKNJMTHIG-LLVKDONJSA-N 1 0 240.372 1.780 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1O ZINC000310076004 411202252 /nfs/dbraw/zinc/20/22/52/411202252.db2.gz GLGWKMDXDMJZGC-GXSJLCMTSA-N 1 0 234.299 1.262 10 0 BDAERO COc1cccc(-c2cnn(CCC[NH3+])c2)c1 ZINC000049822098 411245215 /nfs/dbraw/zinc/24/52/15/411245215.db2.gz OPPYXIRWDFPJFL-UHFFFAOYSA-N 1 0 231.299 1.908 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658033984 411209466 /nfs/dbraw/zinc/20/94/66/411209466.db2.gz FMJQUHCPUTZBFS-NWDGAFQWSA-N 1 0 224.348 1.382 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCSC[C@H]1C ZINC000129076480 411218294 /nfs/dbraw/zinc/21/82/94/411218294.db2.gz JRYGGAVRESYQFM-ZJUUUORDSA-N 1 0 230.377 1.324 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)CC(C)(C)C1 ZINC000658053017 411219712 /nfs/dbraw/zinc/21/97/12/411219712.db2.gz JEJNEKLHRUSPHX-MXWKQRLJSA-N 1 0 224.348 1.679 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C ZINC000128844980 411246800 /nfs/dbraw/zinc/24/68/00/411246800.db2.gz FCGCXFRPYLPOIF-MNOVXSKESA-N 1 0 212.337 1.761 10 0 BDAERO CCC(CC)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000130369286 411221056 /nfs/dbraw/zinc/22/10/56/411221056.db2.gz VBSWSLTVDQAXBC-LLVKDONJSA-N 1 0 214.353 1.912 10 0 BDAERO COCC[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401592796 411246896 /nfs/dbraw/zinc/24/68/96/411246896.db2.gz SPHUQPFALFEKLS-OUAUKWLOSA-N 1 0 201.310 1.114 10 0 BDAERO CCC[C@H]([NH2+][C@@H]1CCNC1=O)[C@H]1CC1(C)C ZINC000658053996 411224167 /nfs/dbraw/zinc/22/41/67/411224167.db2.gz BARAXYVXVJXYTG-OUAUKWLOSA-N 1 0 224.348 1.679 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@H]2CCCOCC2)CC1 ZINC000310230254 411227774 /nfs/dbraw/zinc/22/77/74/411227774.db2.gz GVKSUBCSLKCTHA-MCIGGMRASA-N 1 0 240.347 1.189 10 0 BDAERO Cc1ncccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000129124096 411231954 /nfs/dbraw/zinc/23/19/54/411231954.db2.gz HQRUGDTYZBTYMU-JTQLQIEISA-N 1 0 221.304 1.702 10 0 BDAERO CO[C@H](C)C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000299891291 411232216 /nfs/dbraw/zinc/23/22/16/411232216.db2.gz MFIADMOMQYLRRY-UPJWGTAASA-N 1 0 226.364 1.580 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@]1(C)CCCS1 ZINC000129146512 411232955 /nfs/dbraw/zinc/23/29/55/411232955.db2.gz OPHLLKOWNOHDKD-ZYHUDNBSSA-N 1 0 244.404 1.762 10 0 BDAERO CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(C)o1 ZINC000310435237 411237593 /nfs/dbraw/zinc/23/75/93/411237593.db2.gz UISNPUOSNQYVNZ-NWDGAFQWSA-N 1 0 240.347 1.551 10 0 BDAERO CCc1cc(NC(=O)CC[C@H]2CCC[NH2+]2)n[nH]1 ZINC000310561707 411239965 /nfs/dbraw/zinc/23/99/65/411239965.db2.gz JZLSCILORHCICM-SNVBAGLBSA-N 1 0 236.319 1.443 10 0 BDAERO C[C@H](C[NH3+])Nc1nccc(C(F)(F)F)n1 ZINC000081587094 411277147 /nfs/dbraw/zinc/27/71/47/411277147.db2.gz BJELGKKEZQBTFD-RXMQYKEDSA-N 1 0 220.198 1.255 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)[C@@H]1C ZINC000381045489 411284208 /nfs/dbraw/zinc/28/42/08/411284208.db2.gz DCXPWKYKDLBHHM-WZRBSPASSA-N 1 0 226.364 1.077 10 0 BDAERO Nc1ccc([C@H]2CCCN(CC[NH3+])CC2)cn1 ZINC000616628647 411287291 /nfs/dbraw/zinc/28/72/91/411287291.db2.gz OWIUZHDGCWRRRJ-NSHDSACASA-N 1 0 234.347 1.192 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2O)ncn1 ZINC000656507642 411287985 /nfs/dbraw/zinc/28/79/85/411287985.db2.gz ZBCGJDYJAJTRBJ-VXGBXAGGSA-N 1 0 221.304 1.178 10 0 BDAERO OCC1(C[NH2+][C@@H]2CCCC[C@H]2O)CCC1 ZINC000656508132 411288001 /nfs/dbraw/zinc/28/80/01/411288001.db2.gz ANAVDXRFVWLGRW-GHMZBOCLSA-N 1 0 213.321 1.042 10 0 BDAERO CC[C@H]([NH2+]C1CC(CO)C1)[C@H]1CCOC1 ZINC000658357305 411303669 /nfs/dbraw/zinc/30/36/69/411303669.db2.gz UUKIDWVASLFHTB-ADPBJBESSA-N 1 0 213.321 1.162 10 0 BDAERO CN1C[C@H](C[NH2+][C@@H]2CCC23CCCC3)CC1=O ZINC000658238231 411306932 /nfs/dbraw/zinc/30/69/32/411306932.db2.gz FOIUKDXFJBTTGN-NWDGAFQWSA-N 1 0 236.359 1.777 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ccnc2cccnc21 ZINC000656608343 411307591 /nfs/dbraw/zinc/30/75/91/411307591.db2.gz CHINMSIGFHLIDN-UHFFFAOYSA-N 1 0 230.315 1.803 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)[C@@H]1C ZINC000658241710 411307724 /nfs/dbraw/zinc/30/77/24/411307724.db2.gz NBQWJFUGIQNVPN-ZNSHCXBVSA-N 1 0 210.321 1.099 10 0 BDAERO CC(C)Oc1cncc(N(C)CC(C)(C)[NH3+])n1 ZINC000656609292 411307719 /nfs/dbraw/zinc/30/77/19/411307719.db2.gz XBNPJKKOGAEHHN-UHFFFAOYSA-N 1 0 238.335 1.437 10 0 BDAERO COc1ccnc(NCC2([NH3+])CCCC2)n1 ZINC000656610226 411308598 /nfs/dbraw/zinc/30/85/98/411308598.db2.gz XVAKZNYFCSODND-UHFFFAOYSA-N 1 0 222.292 1.169 10 0 BDAERO CN(C)c1nccc(NCC2([NH3+])CCCC2)n1 ZINC000656610406 411308726 /nfs/dbraw/zinc/30/87/26/411308726.db2.gz DHVPHPWRLFUTQH-UHFFFAOYSA-N 1 0 235.335 1.226 10 0 BDAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658240425 411309265 /nfs/dbraw/zinc/30/92/65/411309265.db2.gz AJDZOXJXSJLDOC-IJLUTSLNSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccoc1 ZINC000658241467 411309278 /nfs/dbraw/zinc/30/92/78/411309278.db2.gz DOYHCWRZSFCPAD-NXEZZACHSA-N 1 0 222.288 1.409 10 0 BDAERO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000402710179 411309637 /nfs/dbraw/zinc/30/96/37/411309637.db2.gz RXSIUPNAEUSZPU-GRYCIOLGSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccco1 ZINC000658245263 411310081 /nfs/dbraw/zinc/31/00/81/411310081.db2.gz QUAICJBUWKBWEW-ZJUUUORDSA-N 1 0 222.288 1.409 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccs1 ZINC000658243687 411310140 /nfs/dbraw/zinc/31/01/40/411310140.db2.gz FXERDUMLSZUDCG-UWVGGRQHSA-N 1 0 238.356 1.877 10 0 BDAERO CN1C[C@@H](C[NH2+][C@@H]2CCc3ccccc32)CC1=O ZINC000658245163 411310437 /nfs/dbraw/zinc/31/04/37/411310437.db2.gz PTTSFTVGDDVEQB-BXUZGUMPSA-N 1 0 244.338 1.742 10 0 BDAERO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658243206 411310493 /nfs/dbraw/zinc/31/04/93/411310493.db2.gz YJQWSUIRTQSLPL-GHMZBOCLSA-N 1 0 226.364 1.879 10 0 BDAERO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658243209 411310574 /nfs/dbraw/zinc/31/05/74/411310574.db2.gz YJQWSUIRTQSLPL-WDEREUQCSA-N 1 0 226.364 1.879 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402945601 411323782 /nfs/dbraw/zinc/32/37/82/411323782.db2.gz ORHYRRHGXPAWGS-WISYIIOYSA-N 1 0 222.332 1.313 10 0 BDAERO C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@@H](O)C1 ZINC000309798463 411248803 /nfs/dbraw/zinc/24/88/03/411248803.db2.gz VYPQIVXFZADLIP-UPJWGTAASA-N 1 0 227.348 1.648 10 0 BDAERO CCCC[C@@H](CC)Cn1cc(C[NH3+])nn1 ZINC000050224291 411254458 /nfs/dbraw/zinc/25/44/58/411254458.db2.gz DWJHKEQPJSGTJJ-SNVBAGLBSA-N 1 0 210.325 1.953 10 0 BDAERO CCC[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128857814 411254695 /nfs/dbraw/zinc/25/46/95/411254695.db2.gz LNYBNBYZYYXJSP-ZJUUUORDSA-N 1 0 200.326 1.665 10 0 BDAERO CCCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128860733 411255454 /nfs/dbraw/zinc/25/54/54/411255454.db2.gz DSKOCMQIXBPYJO-SNVBAGLBSA-N 1 0 200.326 1.666 10 0 BDAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc2c(c1)OCO2 ZINC000658351008 411352664 /nfs/dbraw/zinc/35/26/64/411352664.db2.gz JNFAJXLPDQXNRS-GRZMOONWSA-N 1 0 249.310 1.837 10 0 BDAERO Cc1nn(C)cc1[C@H](C)[NH2+]C1CC(CO)C1 ZINC000658352507 411355142 /nfs/dbraw/zinc/35/51/42/411355142.db2.gz XYJLLXMTQKTEJH-PUSIOWJLSA-N 1 0 223.320 1.150 10 0 BDAERO Cc1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])ncn1 ZINC000069727403 411359282 /nfs/dbraw/zinc/35/92/82/411359282.db2.gz LAMYQRZMKNZQQZ-KOLCDFICSA-N 1 0 220.320 1.349 10 0 BDAERO COC[C@@H](CC[NH2+]C[C@H](O)C(C)(C)C)OC ZINC000656705253 411340615 /nfs/dbraw/zinc/34/06/15/411340615.db2.gz NPLZBXDIFCDYOZ-MNOVXSKESA-N 1 0 233.352 1.035 10 0 BDAERO C[C@@H](c1ccccc1)n1cc(C[NH3+])nn1 ZINC000062295296 411341256 /nfs/dbraw/zinc/34/12/56/411341256.db2.gz JYLXTMQBSZQWGO-VIFPVBQESA-N 1 0 202.261 1.346 10 0 BDAERO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000658332488 411341501 /nfs/dbraw/zinc/34/15/01/411341501.db2.gz RBSZPBKOAOPSRD-CJJWORHMSA-N 1 0 225.332 1.567 10 0 BDAERO CC1(C[C@H]([NH3+])c2ccccc2)OCCO1 ZINC000034543759 168052208 /nfs/dbraw/zinc/05/22/08/168052208.db2.gz VXDSPAFERIRQOK-NSHDSACASA-N 1 0 207.273 1.840 10 0 BDAERO CC1(NC(=O)C2(C[NH3+])CC2)CCCCC1 ZINC000082641498 168054971 /nfs/dbraw/zinc/05/49/71/168054971.db2.gz MPJBIGOICWTLFP-UHFFFAOYSA-N 1 0 210.321 1.564 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCc1ccoc1 ZINC000659361559 411377316 /nfs/dbraw/zinc/37/73/16/411377316.db2.gz QLPXOAADHHHQJS-RYUDHWBXSA-N 1 0 236.315 1.313 10 0 BDAERO C[C@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1(F)F ZINC000659362413 411377610 /nfs/dbraw/zinc/37/76/10/411377610.db2.gz PHMSCKNGUJWDBE-FXPVBKGRSA-N 1 0 246.301 1.523 10 0 BDAERO CC1=C(C)C(=O)N([C@H](C)[C@@H]2CCC[NH2+]C2)C1=O ZINC000071164326 168080818 /nfs/dbraw/zinc/08/08/18/168080818.db2.gz ZFPQERRBUYJSNB-GHMZBOCLSA-N 1 0 236.315 1.080 10 0 BDAERO CC1=CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]2C1 ZINC000019366283 168121162 /nfs/dbraw/zinc/12/11/62/168121162.db2.gz WVYNZNQOWJKLQW-QWHCGFSZSA-N 1 0 208.349 1.836 10 0 BDAERO CC1(C[N@@H+]2CC[C@H]3OCCN[C@H]3C2)CCC1 ZINC000404193775 411381204 /nfs/dbraw/zinc/38/12/04/411381204.db2.gz IIBOUAXATFJMKB-NWDGAFQWSA-N 1 0 224.348 1.239 10 0 BDAERO CC1=[NH+]C[C@@]2(CCc3ccccc3C2)N1 ZINC000013743770 168137957 /nfs/dbraw/zinc/13/79/57/168137957.db2.gz AYCMBBVUNLLXFD-ZDUSSCGKSA-N 1 0 200.285 1.936 10 0 BDAERO O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000659359403 411375523 /nfs/dbraw/zinc/37/55/23/411375523.db2.gz RBCWWZHHTXTDPJ-RHYQMDGZSA-N 1 0 222.332 1.148 10 0 BDAERO CC1CCC([NH3+])(C(=O)OC[C@H]2CCOC2)CC1 ZINC000049688551 168160387 /nfs/dbraw/zinc/16/03/87/168160387.db2.gz IBSTZFBXELFVRV-AKJDGMEZSA-N 1 0 241.331 1.474 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCc1ccoc1 ZINC000659361238 411376641 /nfs/dbraw/zinc/37/66/41/411376641.db2.gz NJNWMLSRRJLCTA-LBPRGKRZSA-N 1 0 236.315 1.328 10 0 BDAERO CCC(=O)CCC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000300117299 168199344 /nfs/dbraw/zinc/19/93/44/168199344.db2.gz BJCYDWNELXZVJK-ZDUSSCGKSA-N 1 0 238.375 1.916 10 0 BDAERO OCC[N@@H+]1CCCC[C@H]1c1ccncc1 ZINC000616615881 411390531 /nfs/dbraw/zinc/39/05/31/411390531.db2.gz DIKQWJKTBSPOMF-LBPRGKRZSA-N 1 0 206.289 1.601 10 0 BDAERO CCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058911600 168214811 /nfs/dbraw/zinc/21/48/11/168214811.db2.gz HDRSGYNWDMSHOX-UHFFFAOYSA-N 1 0 210.321 1.483 10 0 BDAERO CCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107637834 168218152 /nfs/dbraw/zinc/21/81/52/168218152.db2.gz WSSSQQCBPODZHC-GFCCVEGCSA-N 1 0 224.348 1.873 10 0 BDAERO CC(C)[C@@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659267779 411385733 /nfs/dbraw/zinc/38/57/33/411385733.db2.gz QMRGVNQKQIWISZ-SNVBAGLBSA-N 1 0 224.348 1.809 10 0 BDAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H]1C ZINC000336760675 168301824 /nfs/dbraw/zinc/30/18/24/168301824.db2.gz MKFZZFFEFSMYRP-IVZWLZJFSA-N 1 0 212.337 1.678 10 0 BDAERO CC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CO1 ZINC000657303702 411456493 /nfs/dbraw/zinc/45/64/93/411456493.db2.gz FWAQCZMHZWWGDE-UTUOFQBUSA-N 1 0 213.321 1.713 10 0 BDAERO CC(C)[C@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000069633533 411457800 /nfs/dbraw/zinc/45/78/00/411457800.db2.gz FXKFTSZPXBSMEN-VIFPVBQESA-N 1 0 200.326 1.665 10 0 BDAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1CCCO1 ZINC000069633615 411458054 /nfs/dbraw/zinc/45/80/54/411458054.db2.gz OPNFUEARPMMUHT-VHSXEESVSA-N 1 0 228.336 1.188 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000659340924 411399974 /nfs/dbraw/zinc/39/99/74/411399974.db2.gz PCJGHWLBGPDZJM-QJPTWQEYSA-N 1 0 226.364 1.914 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](OC(C)C)C1 ZINC000404546963 411400795 /nfs/dbraw/zinc/40/07/95/411400795.db2.gz IWIPQCAEWKEXBU-VXGBXAGGSA-N 1 0 242.363 1.530 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1ccoc1 ZINC000659360124 411402639 /nfs/dbraw/zinc/40/26/39/411402639.db2.gz FGBGWXCFDRURJE-JQWIXIFHSA-N 1 0 236.315 1.326 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@]1(C)CC1(C)C ZINC000659379737 411406445 /nfs/dbraw/zinc/40/64/45/411406445.db2.gz NNKBYOCZHRKZAU-KWBADKCTSA-N 1 0 224.348 1.679 10 0 BDAERO CC(C)CC1(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000659382732 411407404 /nfs/dbraw/zinc/40/74/04/411407404.db2.gz OICJSIPFCKFFRQ-GHMZBOCLSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@]1(C(=O)NCC2=CCCC2)CCC[NH2+]1 ZINC000659379925 411407646 /nfs/dbraw/zinc/40/76/46/411407646.db2.gz SRVFGOSEGZNBTM-GFCCVEGCSA-N 1 0 208.305 1.355 10 0 BDAERO CCN(CCO)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043044204 169858598 /nfs/dbraw/zinc/85/85/98/169858598.db2.gz XTJXQRKVCKJIPQ-ZWNOBZJWSA-N 1 0 240.322 1.528 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1ccc(CO)cc1 ZINC000616648204 411410872 /nfs/dbraw/zinc/41/08/72/411410872.db2.gz AWXPQBDWISHMMF-ZDUSSCGKSA-N 1 0 221.300 1.572 10 0 BDAERO Cc1nnc(NC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000129887251 411413198 /nfs/dbraw/zinc/41/31/98/411413198.db2.gz QQVLARSBUYENSN-SSDOTTSWSA-N 1 0 228.321 1.158 10 0 BDAERO CC[C@H]1CN(c2nc(C)cc(C)n2)CC[C@@H]1[NH3+] ZINC000123031220 411437544 /nfs/dbraw/zinc/43/75/44/411437544.db2.gz YPXBSXXZKJFNRK-RYUDHWBXSA-N 1 0 234.347 1.657 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]Cc2ccccn2)CO1 ZINC000657286253 411443948 /nfs/dbraw/zinc/44/39/48/411443948.db2.gz MLZQRQDBIOMVQB-NWDGAFQWSA-N 1 0 206.289 1.739 10 0 BDAERO C[C@H](COCc1ccccc1)[NH2+]CCC(N)=O ZINC000307274163 411469717 /nfs/dbraw/zinc/46/97/17/411469717.db2.gz MGVFEWNEAXHCGU-LLVKDONJSA-N 1 0 236.315 1.057 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]Cc1cnc2n1CCC2 ZINC000657358956 411475618 /nfs/dbraw/zinc/47/56/18/411475618.db2.gz IKVDVHFUDCRKQL-LLVKDONJSA-N 1 0 237.347 1.326 10 0 BDAERO CCN(c1cc(C[NH2+]C)ccn1)[C@H](C)COC ZINC000051480347 169941687 /nfs/dbraw/zinc/94/16/87/169941687.db2.gz FSNANHZGBJVWLK-LLVKDONJSA-N 1 0 237.347 1.662 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000657378226 411486783 /nfs/dbraw/zinc/48/67/83/411486783.db2.gz IUZWYMSLORHAAA-ZYHUDNBSSA-N 1 0 235.331 1.080 10 0 BDAERO C1=CCC(CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000659901725 411491936 /nfs/dbraw/zinc/49/19/36/411491936.db2.gz PXXVCDCSHIXCBI-ZDUSSCGKSA-N 1 0 206.333 1.733 10 0 BDAERO COc1cccnc1N1CCC([C@@H](C)[NH3+])CC1 ZINC000127511787 411492022 /nfs/dbraw/zinc/49/20/22/411492022.db2.gz GYDAXHGRDXZZBY-SNVBAGLBSA-N 1 0 235.331 1.654 10 0 BDAERO CC[NH+]1CCC([C@H](C)Nc2cnn(C)c2)CC1 ZINC000035737410 169957997 /nfs/dbraw/zinc/95/79/97/169957997.db2.gz KUDGYQXWJNNMNO-NSHDSACASA-N 1 0 236.363 1.952 10 0 BDAERO CO[C@](C)(CO)C[NH2+]CC1CCC(C)CC1 ZINC000655808167 411521556 /nfs/dbraw/zinc/52/15/56/411521556.db2.gz SROVILZWQDEOEQ-BPCQOVAHSA-N 1 0 229.364 1.800 10 0 BDAERO CC[C@@H](CC(F)F)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000659997309 411524237 /nfs/dbraw/zinc/52/42/37/411524237.db2.gz BGUNQRGBYBQZHW-VHSXEESVSA-N 1 0 237.290 1.361 10 0 BDAERO CC[N@@H+]1CC[C@@H](C[NH2+]CCCn2ccnc2)C1 ZINC000049327985 170007663 /nfs/dbraw/zinc/00/76/63/170007663.db2.gz OUQUVEQPWYXYHK-ZDUSSCGKSA-N 1 0 236.363 1.205 10 0 BDAERO CC[N@@H+]1CCc2nc(N)cnc2[C@H](C)C1 ZINC000039101095 170025611 /nfs/dbraw/zinc/02/56/11/170025611.db2.gz GHNCOFSNOBJKDA-MRVPVSSYSA-N 1 0 206.293 1.040 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccco2)C1 ZINC000309033281 170029916 /nfs/dbraw/zinc/02/99/16/170029916.db2.gz GKLUJSHRSSKJSL-PWSUYJOCSA-N 1 0 208.305 1.709 10 0 BDAERO CCN1C[C@H]([NH2+]CC[C@H]2CCOC2)[C@@H](C)C1 ZINC000309648561 170035472 /nfs/dbraw/zinc/03/54/72/170035472.db2.gz NFBHLOYJEYNESC-AVGNSLFASA-N 1 0 226.364 1.343 10 0 BDAERO CCNC(=O)CC[N@H+](CC)Cc1ccccc1N ZINC000051760125 170050212 /nfs/dbraw/zinc/05/02/12/170050212.db2.gz XBSRULAAVSUWDY-UHFFFAOYSA-N 1 0 249.358 1.617 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1ccco1 ZINC000076585054 170053849 /nfs/dbraw/zinc/05/38/49/170053849.db2.gz BATAIWNTIAQJJJ-SECBINFHSA-N 1 0 210.277 1.238 10 0 BDAERO CCNC(=O)C[N@H+](C)[C@H](C)c1ccc(N)cc1 ZINC000049725796 170055428 /nfs/dbraw/zinc/05/54/28/170055428.db2.gz JGZNSXHKWVXPNP-SNVBAGLBSA-N 1 0 235.331 1.398 10 0 BDAERO CCNC(=O)CN(CC)Cc1ccccc1C[NH3+] ZINC000037757651 170057727 /nfs/dbraw/zinc/05/77/27/170057727.db2.gz XTMRFKOSYVWHBG-UHFFFAOYSA-N 1 0 249.358 1.103 10 0 BDAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000036780295 170064257 /nfs/dbraw/zinc/06/42/57/170064257.db2.gz CJDFHIGSSXUHLQ-NSHDSACASA-N 1 0 246.354 1.962 10 0 BDAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000035138865 170064703 /nfs/dbraw/zinc/06/47/03/170064703.db2.gz LCOZOHFMKWJMQD-QMMMGPOBSA-N 1 0 242.269 1.752 10 0 BDAERO CCNC(=O)COc1ccc(C)cc1C[NH2+]C ZINC000071403717 170067955 /nfs/dbraw/zinc/06/79/55/170067955.db2.gz PKTZNPPZKOEDEW-UHFFFAOYSA-N 1 0 236.315 1.229 10 0 BDAERO CCNC(=O)COc1cccc(C[C@@H](C)[NH3+])c1 ZINC000037726410 170068738 /nfs/dbraw/zinc/06/87/38/170068738.db2.gz MURHWOSPGCTJEW-SNVBAGLBSA-N 1 0 236.315 1.091 10 0 BDAERO CCNC(=O)C[C@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000057537952 170070497 /nfs/dbraw/zinc/07/04/97/170070497.db2.gz WCRBHSCTZIYJIN-GFCCVEGCSA-N 1 0 249.358 1.321 10 0 BDAERO CCNC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916223 170073200 /nfs/dbraw/zinc/07/32/00/170073200.db2.gz KCUCJNGODSGNLU-MNOVXSKESA-N 1 0 225.336 1.180 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000035139939 170089177 /nfs/dbraw/zinc/08/91/77/170089177.db2.gz JBTQOLCTJOSPQV-ZYHUDNBSSA-N 1 0 248.326 1.624 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCF ZINC000309973934 170095639 /nfs/dbraw/zinc/09/56/39/170095639.db2.gz RIHIASWXSRDNPN-DCAQKATOSA-N 1 0 230.327 1.629 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000035139948 170096184 /nfs/dbraw/zinc/09/61/84/170096184.db2.gz JBTQOLCTJOSPQV-JQWIXIFHSA-N 1 0 248.326 1.624 10 0 BDAERO CCNC(=O)c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038041245 170102916 /nfs/dbraw/zinc/10/29/16/170102916.db2.gz FYNPILQDABMMFH-UHFFFAOYSA-N 1 0 247.342 1.600 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccncc1 ZINC000061289133 170107689 /nfs/dbraw/zinc/10/76/89/170107689.db2.gz CRXGLWIAIUHJIT-JTQLQIEISA-N 1 0 235.331 1.647 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)NC1(C)CCCC1 ZINC000061298957 170107969 /nfs/dbraw/zinc/10/79/69/170107969.db2.gz JREBVHDWCHNLAI-UHFFFAOYSA-N 1 0 212.337 1.823 10 0 BDAERO CC[NH2+]C1CCN([C@H](C)[C@H]2CCCO2)CC1 ZINC000035735970 170109721 /nfs/dbraw/zinc/10/97/21/170109721.db2.gz KYKGSAUACLDJBE-DGCLKSJQSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+]CC1(S(C)(=O)=O)CCCCC1 ZINC000053737707 170110430 /nfs/dbraw/zinc/11/04/30/170110430.db2.gz XNGFGTYAWPPRME-UHFFFAOYSA-N 1 0 219.350 1.343 10 0 BDAERO CC[NH2+]CCC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000061299426 170111696 /nfs/dbraw/zinc/11/16/96/170111696.db2.gz UHJYASFGTUTWIO-GHMZBOCLSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]CCC(=O)N(C)Cc1ccc(F)cc1 ZINC000061289453 170112045 /nfs/dbraw/zinc/11/20/45/170112045.db2.gz VLZSQPAEDRNSGM-UHFFFAOYSA-N 1 0 238.306 1.784 10 0 BDAERO CC[NH2+]CCCCn1cnc2ccccc2c1=O ZINC000053526210 170112321 /nfs/dbraw/zinc/11/23/21/170112321.db2.gz SLUFSGHAZOHFGK-UHFFFAOYSA-N 1 0 245.326 1.786 10 0 BDAERO CC[NH2+]CCOCCOc1ccc(OC)cc1 ZINC000074525391 170116174 /nfs/dbraw/zinc/11/61/74/170116174.db2.gz SKUPPEBDIDKLMW-UHFFFAOYSA-N 1 0 239.315 1.700 10 0 BDAERO CC[NH2+]CCc1nc2ccccc2n1C ZINC000051784278 170117938 /nfs/dbraw/zinc/11/79/38/170117938.db2.gz BQTZUSDASVSQPF-UHFFFAOYSA-N 1 0 203.289 1.725 10 0 BDAERO CC[NH2+]C[C@@H](CC)n1nnc(-c2ccccc2)n1 ZINC000052574744 170118845 /nfs/dbraw/zinc/11/88/45/170118845.db2.gz CSEOPOJOKGNEKU-GFCCVEGCSA-N 1 0 245.330 1.901 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1ccccc1Cl ZINC000071518925 170118960 /nfs/dbraw/zinc/11/89/60/170118960.db2.gz ZZCSHJZCOLDYFX-JTQLQIEISA-N 1 0 213.708 1.853 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000032015998 170119043 /nfs/dbraw/zinc/11/90/43/170119043.db2.gz JNAJTWVSUVRSGV-MRVPVSSYSA-N 1 0 231.242 1.314 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000032014562 170119423 /nfs/dbraw/zinc/11/94/23/170119423.db2.gz FTRJZSSCOFQFLU-GFCCVEGCSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(Cc2cc(C)on2)C1 ZINC000104410068 170119777 /nfs/dbraw/zinc/11/97/77/170119777.db2.gz PZYWMUXAKRLPMC-LBPRGKRZSA-N 1 0 237.347 1.805 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc2c(c1)CCO2 ZINC000055027940 170119972 /nfs/dbraw/zinc/11/99/72/170119972.db2.gz PNBZYTSUDMKQCN-LLVKDONJSA-N 1 0 207.273 1.264 10 0 BDAERO CC[NH2+]C[C@@H](O)c1cc(Cl)ccc1OC ZINC000049821527 170120159 /nfs/dbraw/zinc/12/01/59/170120159.db2.gz FISKLQAZARKWMH-SNVBAGLBSA-N 1 0 229.707 1.992 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1ccc(C)nn1 ZINC000053697004 170120211 /nfs/dbraw/zinc/12/02/11/170120211.db2.gz ZPNRKSXDAGFUNO-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1c1nccn1CC ZINC000053698432 170120267 /nfs/dbraw/zinc/12/02/67/170120267.db2.gz KPJBFRPUXJAWCI-LBPRGKRZSA-N 1 0 236.363 1.871 10 0 BDAERO CC[NH2+]C[C@H](C)c1nc(-c2ccccn2)no1 ZINC000061219933 170121535 /nfs/dbraw/zinc/12/15/35/170121535.db2.gz SVASQTLSBMYXAV-VIFPVBQESA-N 1 0 232.287 1.845 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000061268081 170122287 /nfs/dbraw/zinc/12/22/87/170122287.db2.gz YRHHRFABALUUIL-QWRGUYRKSA-N 1 0 242.363 1.258 10 0 BDAERO CC[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000062721122 170122370 /nfs/dbraw/zinc/12/23/70/170122370.db2.gz RVSBOWLDBIGDOB-VIFPVBQESA-N 1 0 219.206 1.747 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(Cc2cc(C)on2)C1 ZINC000104410071 170122769 /nfs/dbraw/zinc/12/27/69/170122769.db2.gz PZYWMUXAKRLPMC-GFCCVEGCSA-N 1 0 237.347 1.805 10 0 BDAERO CC[NH2+]Cc1c(-n2cccn2)nc2ccccn21 ZINC000035449714 170123668 /nfs/dbraw/zinc/12/36/68/170123668.db2.gz UOUUZRKSCTWTPB-UHFFFAOYSA-N 1 0 241.298 1.630 10 0 BDAERO CC[NH2+]Cc1cc(-n2ccnc2CC)ccn1 ZINC000051518015 170124761 /nfs/dbraw/zinc/12/47/61/170124761.db2.gz QZWVIUPBYDNMQV-UHFFFAOYSA-N 1 0 230.315 1.939 10 0 BDAERO CC[NH2+]Cc1cc(N(C)C2CCOCC2)ccn1 ZINC000051446725 170125539 /nfs/dbraw/zinc/12/55/39/170125539.db2.gz SMUGBQIMTYJOFK-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO CC[NH2+]Cc1cc2c(s1)CCN(C)C2 ZINC000045206001 170126898 /nfs/dbraw/zinc/12/68/98/170126898.db2.gz BPJNPJUFYIDPEM-UHFFFAOYSA-N 1 0 210.346 1.846 10 0 BDAERO CC[NH2+]Cc1ccnc(Cc2cccnc2)n1 ZINC000054791225 170129150 /nfs/dbraw/zinc/12/91/50/170129150.db2.gz OKZHAPUBARGSSE-UHFFFAOYSA-N 1 0 228.299 1.572 10 0 BDAERO CC[NH2+]Cc1nncn1-c1ccccc1 ZINC000054526845 170131452 /nfs/dbraw/zinc/13/14/52/170131452.db2.gz KMGLWUYUJSLIHX-UHFFFAOYSA-N 1 0 202.261 1.377 10 0 BDAERO CC[NH2+]Cc1oc(Cn2nc(C)nc2C)cc1C ZINC000052574555 170131659 /nfs/dbraw/zinc/13/16/59/170131659.db2.gz VISQHUDASSUWTB-UHFFFAOYSA-N 1 0 248.330 1.954 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000054745858 170131735 /nfs/dbraw/zinc/13/17/35/170131735.db2.gz OAVAZFWNRZKEKL-VWYCJHECSA-N 1 0 237.351 1.780 10 0 BDAERO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000660221197 411555051 /nfs/dbraw/zinc/55/50/51/411555051.db2.gz MZLURGBTNWEVFB-MCIONIFRSA-N 1 0 241.375 1.894 10 0 BDAERO CC[NH2+][C@@H](CCO)c1ccnc(Cl)c1 ZINC000095091360 170145067 /nfs/dbraw/zinc/14/50/67/170145067.db2.gz RUJDTEJAGACIEO-VIFPVBQESA-N 1 0 214.696 1.768 10 0 BDAERO CC[NH2+][C@@H](c1ccc(C)o1)[C@@H]1COCCO1 ZINC000055301186 170147985 /nfs/dbraw/zinc/14/79/85/170147985.db2.gz QISUMQPVZIVLQV-RYUDHWBXSA-N 1 0 225.288 1.654 10 0 BDAERO CC[NH2+][C@@H](c1ccccc1)[C@H]1COCCO1 ZINC000055299904 170148737 /nfs/dbraw/zinc/14/87/37/170148737.db2.gz ACCPNRNLOYMADT-OLZOCXBDSA-N 1 0 221.300 1.753 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2nc(C)cs2)C1=O ZINC000049660170 170152263 /nfs/dbraw/zinc/15/22/63/170152263.db2.gz PMTDMFOYRLNQLG-SECBINFHSA-N 1 0 239.344 1.162 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@H]1N(C)Cc1nccn1C ZINC000062251432 170152344 /nfs/dbraw/zinc/15/23/44/170152344.db2.gz CLIRIJAGJNZMTJ-VXGBXAGGSA-N 1 0 236.363 1.383 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@H](C)c2ccco2)C1=O ZINC000049648195 170152834 /nfs/dbraw/zinc/15/28/34/170152834.db2.gz SWCDKAVHYMABAP-NXEZZACHSA-N 1 0 222.288 1.551 10 0 BDAERO CC[NH2+][C@@H]1CC[S@](=O)c2ccc(F)cc21 ZINC000040974187 170153741 /nfs/dbraw/zinc/15/37/41/170153741.db2.gz PEEJRKCCHKMGME-MEBBXXQBSA-N 1 0 227.304 1.988 10 0 BDAERO CCN[C@@](C)(C(N)=O)c1ccc(F)cc1F ZINC000037447588 170154858 /nfs/dbraw/zinc/15/48/58/170154858.db2.gz LCYOYBMCDOWDBD-LLVKDONJSA-N 1 0 228.242 1.275 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1ccc(C)c(C)c1 ZINC000037869548 170156394 /nfs/dbraw/zinc/15/63/94/170156394.db2.gz PKKJPEYSAVVAGU-NSHDSACASA-N 1 0 206.289 1.439 10 0 BDAERO CC[NH2+][C@H](C)c1c(F)cccc1N(C)CCO ZINC000037899435 170158996 /nfs/dbraw/zinc/15/89/96/170158996.db2.gz MOGSRVQMTAOEEU-SNVBAGLBSA-N 1 0 240.322 1.925 10 0 BDAERO CC[NH2+][C@H](C)c1cnc(-c2nc[nH]n2)s1 ZINC000054159629 170160054 /nfs/dbraw/zinc/16/00/54/170160054.db2.gz CQCAZMDDYLMBIQ-ZCFIWIBFSA-N 1 0 223.305 1.599 10 0 BDAERO CC[NH2+][C@H](C)c1nnc(-c2ccncc2)o1 ZINC000050619058 170160165 /nfs/dbraw/zinc/16/01/65/170160165.db2.gz UIRZEWTVOFTPRT-MRVPVSSYSA-N 1 0 218.260 1.802 10 0 BDAERO CCN[C@H](CC[N@H+](CC)C1CCCC1)C(N)=O ZINC000062448468 170161320 /nfs/dbraw/zinc/16/13/20/170161320.db2.gz UEBSJCRBQNTGAN-GFCCVEGCSA-N 1 0 241.379 1.104 10 0 BDAERO CC[NH2+][C@H](CO)c1ccc(OC)c(Cl)c1 ZINC000071534351 170162624 /nfs/dbraw/zinc/16/26/24/170162624.db2.gz HFHXLXSFYYKJQV-SNVBAGLBSA-N 1 0 229.707 1.992 10 0 BDAERO CC[NH2+][C@H](Cc1cnn(C)c1)c1ccncc1 ZINC000050542634 170163048 /nfs/dbraw/zinc/16/30/48/170163048.db2.gz ABFOAHUGEQZBAB-CYBMUJFWSA-N 1 0 230.315 1.708 10 0 BDAERO CC[NH2+][C@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000036852973 170166302 /nfs/dbraw/zinc/16/63/02/170166302.db2.gz IYOCNULHVZSRHX-JTQLQIEISA-N 1 0 224.304 1.056 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)Cc2ccco2)C1=O ZINC000049649084 170167576 /nfs/dbraw/zinc/16/75/76/170167576.db2.gz FOHFUHHIAYUIHQ-JQWIXIFHSA-N 1 0 236.315 1.421 10 0 BDAERO CC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000037241601 170167616 /nfs/dbraw/zinc/16/76/16/170167616.db2.gz PVFYOCZXDPHGMR-AWEZNQCLSA-N 1 0 218.344 1.913 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1=O ZINC000049647582 170168006 /nfs/dbraw/zinc/16/80/06/170168006.db2.gz FNSLAHSJPOBMMN-AAEUAGOBSA-N 1 0 232.327 1.958 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cccc(F)c2)C1=O ZINC000049647092 170168240 /nfs/dbraw/zinc/16/82/40/170168240.db2.gz XYTLWIUMKRSSAJ-NSHDSACASA-N 1 0 222.263 1.541 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000049647926 170168276 /nfs/dbraw/zinc/16/82/76/170168276.db2.gz JKOWDBXSNYIHJJ-LBPRGKRZSA-N 1 0 218.300 1.710 10 0 BDAERO CC[NH2+][C@H]1CCN([C@H](C)c2ccc(C)o2)C1=O ZINC000049649225 170168298 /nfs/dbraw/zinc/16/82/98/170168298.db2.gz VDMCPYQMNJUXCE-MNOVXSKESA-N 1 0 236.315 1.859 10 0 BDAERO CC[NH2+][C@H]1CC[S@](=O)c2ccc(OC)cc21 ZINC000040975783 170168580 /nfs/dbraw/zinc/16/85/80/170168580.db2.gz UHASEIWVDXQDHY-MEDUHNTESA-N 1 0 239.340 1.857 10 0 BDAERO CC[NH2+][C@]1(CN)CCCc2ccccc21 ZINC000050270257 170170699 /nfs/dbraw/zinc/17/06/99/170170699.db2.gz WRMVJVZHKJGZAM-ZDUSSCGKSA-N 1 0 204.317 1.786 10 0 BDAERO CCOC(=O)C1(NCC[NH+](C)C)CCCCC1 ZINC000037965100 170190884 /nfs/dbraw/zinc/19/08/84/170190884.db2.gz VXLJKPPGOBZNNJ-UHFFFAOYSA-N 1 0 242.363 1.404 10 0 BDAERO CCOC(=O)CCCCc1ncc(C[NH3+])cn1 ZINC000095803873 170201150 /nfs/dbraw/zinc/20/11/50/170201150.db2.gz WIOUYHMZONNZKW-UHFFFAOYSA-N 1 0 237.303 1.211 10 0 BDAERO CCOC(=O)C[C@@H]([NH3+])c1cc(F)cc(OC)c1 ZINC000095931124 170230775 /nfs/dbraw/zinc/23/07/75/170230775.db2.gz ITSBAKBZELOHPT-LLVKDONJSA-N 1 0 241.262 1.787 10 0 BDAERO CCOC(=O)C[C@H]1[NH2+]C(C)(C)C[C@H](C)O1 ZINC000038271932 170234477 /nfs/dbraw/zinc/23/44/77/170234477.db2.gz UEMUMNBCXDLAIU-IUCAKERBSA-N 1 0 215.293 1.443 10 0 BDAERO CCOC(=O)Cc1[nH+]c2ccccn2c1N ZINC000036222004 170236703 /nfs/dbraw/zinc/23/67/03/170236703.db2.gz BSYAFHAKVWCAIO-UHFFFAOYSA-N 1 0 219.244 1.022 10 0 BDAERO CCOC(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC000037470277 170238584 /nfs/dbraw/zinc/23/85/84/170238584.db2.gz IZJKZWSOCAUAFZ-VIFPVBQESA-N 1 0 200.282 1.217 10 0 BDAERO CCOC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000034371074 170240330 /nfs/dbraw/zinc/24/03/30/170240330.db2.gz LMBHFRKOOBDTIT-MRVPVSSYSA-N 1 0 200.282 1.202 10 0 BDAERO CCOC(=O)[C@@H](C)N(CC)C1CC[NH2+]CC1 ZINC000043642132 170247186 /nfs/dbraw/zinc/24/71/86/170247186.db2.gz QBTCPGAWMLLNRJ-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO CCOC(=O)[C@@H](CC[N@H+](C)CC(C)(C)C)NC ZINC000062523015 170251113 /nfs/dbraw/zinc/25/11/13/170251113.db2.gz NTLWYJXPWRUOJK-LLVKDONJSA-N 1 0 244.379 1.506 10 0 BDAERO CCOC(=O)[C@@]1(c2ccccc2)C[C@H]1C[NH3+] ZINC000013603400 170263062 /nfs/dbraw/zinc/26/30/62/170263062.db2.gz GGBNYUVTPJJNRX-WCQYABFASA-N 1 0 219.284 1.466 10 0 BDAERO CCOC(=O)[C@H](C)N(CC)C1CC[NH2+]CC1 ZINC000043642131 170266667 /nfs/dbraw/zinc/26/66/67/170266667.db2.gz QBTCPGAWMLLNRJ-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO CCOC(=O)c1c(C)[nH]c(C[NH2+]C)c1C ZINC000049455841 170287800 /nfs/dbraw/zinc/28/78/00/170287800.db2.gz KISBCHBZGVHMGX-UHFFFAOYSA-N 1 0 210.277 1.528 10 0 BDAERO CCOC(=O)c1cc2c(s1)CC[NH2+]CC2 ZINC000039386893 170293852 /nfs/dbraw/zinc/29/38/52/170293852.db2.gz GPPCHCCJERMKCZ-UHFFFAOYSA-N 1 0 225.313 1.613 10 0 BDAERO Cc1c(C[NH2+]CCc2ccoc2)cnn1C ZINC000657653764 411570510 /nfs/dbraw/zinc/57/05/10/411570510.db2.gz OWIWIHNJZSOUAJ-UHFFFAOYSA-N 1 0 219.288 1.654 10 0 BDAERO CCOC(=O)c1cccnc1NC[C@H]([NH3+])CC ZINC000104207297 170299822 /nfs/dbraw/zinc/29/98/22/170299822.db2.gz LVKMRQGZTUTAKC-SECBINFHSA-N 1 0 237.303 1.408 10 0 BDAERO CCOC(COC1CC[NH2+]CC1)OCC ZINC000077252393 170315872 /nfs/dbraw/zinc/31/58/72/170315872.db2.gz UGGSBWUIAUFGSM-UHFFFAOYSA-N 1 0 217.309 1.154 10 0 BDAERO CCOCC(=O)N[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000037747765 170345051 /nfs/dbraw/zinc/34/50/51/170345051.db2.gz RBCDCIZANWZOST-JTQLQIEISA-N 1 0 236.315 1.359 10 0 BDAERO CCOCCCN1CC[NH2+]C[C@H]1CC ZINC000083086504 170373044 /nfs/dbraw/zinc/37/30/44/170373044.db2.gz UOPQSZWRBWFCCN-LLVKDONJSA-N 1 0 200.326 1.097 10 0 BDAERO CCOCCCN1CC[NH2+][C@@H](CC)C1 ZINC000083059998 170373708 /nfs/dbraw/zinc/37/37/08/170373708.db2.gz WDNFADNBUNBJRA-NSHDSACASA-N 1 0 200.326 1.097 10 0 BDAERO CCOCCC[NH2+]CCN1C[C@H](C)OC[C@@H]1C ZINC000053382379 170380780 /nfs/dbraw/zinc/38/07/80/170380780.db2.gz YSZJFQFHKXXYMS-STQMWFEESA-N 1 0 244.379 1.112 10 0 BDAERO CCOCCC[NH2+][C@H](C)C(=O)N[C@@H](C)CC ZINC000034938514 170382636 /nfs/dbraw/zinc/38/26/36/170382636.db2.gz VOEJLXKSEJHRGT-WDEREUQCSA-N 1 0 230.352 1.306 10 0 BDAERO CCOCCN(CC)C(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000104196828 170393859 /nfs/dbraw/zinc/39/38/59/170393859.db2.gz CMYTZWIOIXSKKD-NEPJUHHUSA-N 1 0 242.363 1.260 10 0 BDAERO CCOCC[N@H+](CC)C[C@H](O)COC(C)(C)C ZINC000107791728 170395359 /nfs/dbraw/zinc/39/53/59/170395359.db2.gz HNDRJNBHOAZUHD-LBPRGKRZSA-N 1 0 247.379 1.521 10 0 BDAERO CCCc1nccnc1NC1CC[NH+](C)CC1 ZINC000663346358 411633979 /nfs/dbraw/zinc/63/39/79/411633979.db2.gz LQIDMONMXVRIFZ-UHFFFAOYSA-N 1 0 234.347 1.935 10 0 BDAERO CCOCCO[C@@H]1COc2ccccc2[C@H]1[NH3+] ZINC000019263540 170420981 /nfs/dbraw/zinc/42/09/81/170420981.db2.gz WGNOMOYFWXQPEP-CHWSQXEVSA-N 1 0 237.299 1.501 10 0 BDAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cc1C ZINC000657694765 411581043 /nfs/dbraw/zinc/58/10/43/411581043.db2.gz QMODLCUJNFVTQN-CQSZACIVSA-N 1 0 246.354 1.871 10 0 BDAERO COC[C@H](C)[NH2+]C[C@@H](OC)C1CCC1 ZINC000660483211 411592453 /nfs/dbraw/zinc/59/24/53/411592453.db2.gz CGKMAFKTOVPABO-GXSJLCMTSA-N 1 0 201.310 1.426 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)C[C@H](C)O1 ZINC000657810759 411602661 /nfs/dbraw/zinc/60/26/61/411602661.db2.gz KIJQDNSJWFAJBP-NWBXKSJZSA-N 1 0 213.321 1.303 10 0 BDAERO c1ncn(CC[NH2+][C@@H]2CCCC23CC3)n1 ZINC000657858091 411612658 /nfs/dbraw/zinc/61/26/58/411612658.db2.gz XHKOLFFIOOSHQC-SNVBAGLBSA-N 1 0 206.293 1.200 10 0 BDAERO CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000247322436 170486291 /nfs/dbraw/zinc/48/62/91/170486291.db2.gz SRWABHUDZTVSQW-YNEHKIRRSA-N 1 0 248.326 1.228 10 0 BDAERO CCOc1ccc(OC[C@](C)(O)C[NH3+])cc1 ZINC000019668015 170556987 /nfs/dbraw/zinc/55/69/87/170556987.db2.gz OHFHXGBKLZLGRK-GFCCVEGCSA-N 1 0 225.288 1.174 10 0 BDAERO CCOc1cccc(OCCO[C@@H](C)C[NH3+])c1 ZINC000074528053 170583643 /nfs/dbraw/zinc/58/36/43/170583643.db2.gz XQGSAANMIYYAQG-NSHDSACASA-N 1 0 239.315 1.828 10 0 BDAERO CCOc1cccc([C@H]2C[NH2+]CCO2)c1 ZINC000011803050 170586297 /nfs/dbraw/zinc/58/62/97/170586297.db2.gz NXEHHWCAHPJGQR-GFCCVEGCSA-N 1 0 207.273 1.746 10 0 BDAERO CCc1cc(NCCOCCC[NH3+])nc(C)n1 ZINC000630537225 411768188 /nfs/dbraw/zinc/76/81/88/411768188.db2.gz KSJRDRIYFRYMKZ-UHFFFAOYSA-N 1 0 238.335 1.125 10 0 BDAERO C[N@@H+]1CCCC[C@H](c2ccnc(N)c2)C1 ZINC000616602636 411894486 /nfs/dbraw/zinc/89/44/86/411894486.db2.gz MRZAODXRYVDGKB-NSHDSACASA-N 1 0 205.305 1.863 10 0 BDAERO OCC1([NH2+]C[C@@H]2CCC[C@@H](O)C2)CCCCC1 ZINC000383436836 487621153 /nfs/dbraw/zinc/62/11/53/487621153.db2.gz CVVISHKHFJESEY-CHWSQXEVSA-N 1 0 241.375 1.822 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2cc(N)n[nH]2)CC1 ZINC000616595497 411870788 /nfs/dbraw/zinc/87/07/88/411870788.db2.gz WNGVFNPSNCMISB-SNVBAGLBSA-N 1 0 224.308 1.164 10 0 BDAERO CC(C)[N@@H+]1CCC[C@H](c2c[nH]nc2N)CC1 ZINC000616602557 411872192 /nfs/dbraw/zinc/87/21/92/411872192.db2.gz QXCQNZCOSXNUQL-JTQLQIEISA-N 1 0 222.336 1.970 10 0 BDAERO CC[C@@H](CSC)[NH2+]Cc1cnn(C)c1C ZINC000162181228 170852811 /nfs/dbraw/zinc/85/28/11/170852811.db2.gz BLGBDQVMFLJHDO-NSHDSACASA-N 1 0 227.377 1.960 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](C)c1nc(Cc2ccccn2)no1 ZINC000104161518 170866844 /nfs/dbraw/zinc/86/68/44/170866844.db2.gz MGZZDRBCLKCOIN-MWLCHTKSSA-N 1 0 246.314 1.896 10 0 BDAERO CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000042915822 170868722 /nfs/dbraw/zinc/86/87/22/170868722.db2.gz JPFGKUSWXVKIDE-OLZOCXBDSA-N 1 0 230.315 1.913 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000324471307 487621257 /nfs/dbraw/zinc/62/12/57/487621257.db2.gz HBGOJMMDLOBCLE-QWHCGFSZSA-N 1 0 243.391 1.924 10 0 BDAERO CC[C@@H]([NH2+]C)c1ccc2c(c1)CC(=O)N2C ZINC000035497210 170888659 /nfs/dbraw/zinc/88/86/59/170888659.db2.gz AFDUTFHQFPZYNT-LLVKDONJSA-N 1 0 218.300 1.876 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000126198667 171040906 /nfs/dbraw/zinc/04/09/06/171040906.db2.gz QFTYJILPBQEILE-IJLUTSLNSA-N 1 0 213.321 1.306 10 0 BDAERO CC[C@@H]1CN(C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000105912840 171074526 /nfs/dbraw/zinc/07/45/26/171074526.db2.gz GRXHJYAUSYIMIM-VXGBXAGGSA-N 1 0 214.353 1.172 10 0 BDAERO CC[C@@H]1CN(CC(C)(C)[NH2+]C)CCO1 ZINC000061319587 171075790 /nfs/dbraw/zinc/07/57/90/171075790.db2.gz GGLGYLOKGLPDKR-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO CC[C@@H]1CN(CCCOC)[C@H](C)C[NH2+]1 ZINC000082936401 171080265 /nfs/dbraw/zinc/08/02/65/171080265.db2.gz HDDLSKBLZWWJBA-GHMZBOCLSA-N 1 0 200.326 1.095 10 0 BDAERO CC[C@@H]1CN(CCc2ccccc2OC)CC[NH2+]1 ZINC000083379199 171083189 /nfs/dbraw/zinc/08/31/89/171083189.db2.gz DXIKXFYYIRXYEH-CQSZACIVSA-N 1 0 248.370 1.922 10 0 BDAERO CC[C@@](O)(C[NH3+])c1ccc(Cl)s1 ZINC000036157853 171195262 /nfs/dbraw/zinc/19/52/62/171195262.db2.gz BRUPHIZXHBENLJ-MRVPVSSYSA-N 1 0 205.710 1.958 10 0 BDAERO CC[C@@]1(C(=O)OCC2CCOCC2)CC[NH2+]C1 ZINC000062921786 171197294 /nfs/dbraw/zinc/19/72/94/171197294.db2.gz SHLLVRWJGJMQGU-CYBMUJFWSA-N 1 0 241.331 1.346 10 0 BDAERO C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000662282170 412072487 /nfs/dbraw/zinc/07/24/87/412072487.db2.gz SYFLBTOUADPCOZ-PEBLQZBPSA-N 1 0 236.359 1.095 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)C[NH2+]CC1CC1 ZINC000042591091 171315269 /nfs/dbraw/zinc/31/52/69/171315269.db2.gz UPFFDCGTDJOAJC-NSHDSACASA-N 1 0 242.363 1.260 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(CCOC)[C@@H](C)CC ZINC000042591313 171315352 /nfs/dbraw/zinc/31/53/52/171315352.db2.gz UKWHHQUYFFDLTQ-GRYCIOLGSA-N 1 0 244.379 1.633 10 0 BDAERO CC[C@H](C)[N@@H+]1CCc2nc(N)sc2C1 ZINC000019976241 171320021 /nfs/dbraw/zinc/32/00/21/171320021.db2.gz HYOCJDVYPCEOGW-ZETCQYMHSA-N 1 0 211.334 1.882 10 0 BDAERO CC[C@H](C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055122192 171321855 /nfs/dbraw/zinc/32/18/55/171321855.db2.gz JIWGZOPOWYGPKJ-WHXUTIOJSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052013428 171332271 /nfs/dbraw/zinc/33/22/71/171332271.db2.gz IGEZWOKAFMPQMM-QCNOEVLYSA-N 1 0 242.363 1.183 10 0 BDAERO CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C[NH3+])cn1 ZINC000104219522 171363796 /nfs/dbraw/zinc/36/37/96/171363796.db2.gz IZLQIVQFXWMUAG-VHSXEESVSA-N 1 0 235.331 1.705 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C(=O)OC ZINC000042555373 171365043 /nfs/dbraw/zinc/36/50/43/171365043.db2.gz MLIINMFMWOTYDJ-IVZWLZJFSA-N 1 0 201.310 1.820 10 0 BDAERO CC[C@H](C)[C@@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000011593538 171368879 /nfs/dbraw/zinc/36/88/79/171368879.db2.gz KQLHRHMWZJRXEG-DTWKUNHWSA-N 1 0 216.325 1.885 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)C(=O)OC ZINC000042555379 171388996 /nfs/dbraw/zinc/38/89/96/171388996.db2.gz MLIINMFMWOTYDJ-AEJSXWLSSA-N 1 0 201.310 1.820 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000042555641 171390368 /nfs/dbraw/zinc/39/03/68/171390368.db2.gz ZDGFXNNAYOCQRF-SRVKXCTJSA-N 1 0 242.363 1.258 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)C(C)C ZINC000037504770 171392929 /nfs/dbraw/zinc/39/29/29/171392929.db2.gz XWSBGJLAQJRPJX-DCAQKATOSA-N 1 0 214.353 1.863 10 0 BDAERO CC[C@@H](C)N(CCOC)C(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000042591025 171394424 /nfs/dbraw/zinc/39/44/24/171394424.db2.gz UKWHHQUYFFDLTQ-TUAOUCFPSA-N 1 0 244.379 1.633 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(O)cc1 ZINC000083363569 171394957 /nfs/dbraw/zinc/39/49/57/171394957.db2.gz RTGPACLDFDZPTI-CABZTGNLSA-N 1 0 236.315 1.382 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(C)on1 ZINC000011954094 171396451 /nfs/dbraw/zinc/39/64/51/171396451.db2.gz DKVNSLBVQXAQII-RCOVLWMOSA-N 1 0 211.265 1.295 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1nnc2cnccn21 ZINC000035452451 171397564 /nfs/dbraw/zinc/39/75/64/171397564.db2.gz CQGSULYGXALKDG-CBAPKCEASA-N 1 0 205.265 1.170 10 0 BDAERO CC[C@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000019265452 171430924 /nfs/dbraw/zinc/43/09/24/171430924.db2.gz FPUHASIAHQZXQW-SNVBAGLBSA-N 1 0 240.376 1.002 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662516701 412201767 /nfs/dbraw/zinc/20/17/67/412201767.db2.gz KNTJEEXRGQYSPQ-OUAUKWLOSA-N 1 0 210.321 1.291 10 0 BDAERO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1)C(N)=O ZINC000061677158 171537525 /nfs/dbraw/zinc/53/75/25/171537525.db2.gz XYZNSLZTMVZSPJ-AAEUAGOBSA-N 1 0 234.343 1.861 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(C)C ZINC000037187896 171548605 /nfs/dbraw/zinc/54/86/05/171548605.db2.gz VKEQMURACDGJJC-UWVGGRQHSA-N 1 0 219.350 1.198 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662647791 412254837 /nfs/dbraw/zinc/25/48/37/412254837.db2.gz ROZGPDPJLIDXBY-MNOVXSKESA-N 1 0 236.359 1.953 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCc1ccoc1 ZINC000662662417 412262036 /nfs/dbraw/zinc/26/20/36/412262036.db2.gz FTCZVCYROSMKDH-MWLCHTKSSA-N 1 0 224.304 1.312 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000662666929 412264948 /nfs/dbraw/zinc/26/49/48/412264948.db2.gz PZSVEBKIPWAEMX-GRYCIOLGSA-N 1 0 242.363 1.434 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](CCF)C1 ZINC000662687061 412270711 /nfs/dbraw/zinc/27/07/11/412270711.db2.gz DHTXTDFDJCNNGS-VXGBXAGGSA-N 1 0 244.354 1.958 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000662560262 412219140 /nfs/dbraw/zinc/21/91/40/412219140.db2.gz HWUQFTYYASQKTJ-GHMZBOCLSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000662563781 412219788 /nfs/dbraw/zinc/21/97/88/412219788.db2.gz WJLYDGQBSMLXOQ-LDMBFOFVSA-N 1 0 222.332 1.289 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)c1ccccn1 ZINC000662605668 412237874 /nfs/dbraw/zinc/23/78/74/412237874.db2.gz MTAAYSRPOKUTHX-GHMZBOCLSA-N 1 0 235.331 1.429 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC[C@H](C)CC ZINC000662626517 412247553 /nfs/dbraw/zinc/24/75/53/412247553.db2.gz INZPGNVZDWCYOK-NXEZZACHSA-N 1 0 200.326 1.666 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC(C2CCC2)CC1 ZINC000662630002 412248669 /nfs/dbraw/zinc/24/86/69/412248669.db2.gz GNFXYXQCFWDWMY-ZDUSSCGKSA-N 1 0 236.359 1.635 10 0 BDAERO CC[C@H]1CO[C@H](C)CN1CC[NH2+]CCCOC ZINC000053441652 171674833 /nfs/dbraw/zinc/67/48/33/171674833.db2.gz WKQTVYQBBVDVNQ-OLZOCXBDSA-N 1 0 244.379 1.112 10 0 BDAERO CC(F)(F)CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000662897364 412338157 /nfs/dbraw/zinc/33/81/57/412338157.db2.gz FEEULFYDKDOFMP-JGVFFNPUSA-N 1 0 220.263 1.275 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CC2(CCC2)C1 ZINC000662908139 412342550 /nfs/dbraw/zinc/34/25/50/412342550.db2.gz ZFLHAAFPJOGAQP-ZYHUDNBSSA-N 1 0 236.359 1.810 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000662971208 412360602 /nfs/dbraw/zinc/36/06/02/412360602.db2.gz ZYKFASWYNYRRBO-NXEZZACHSA-N 1 0 236.319 1.042 10 0 BDAERO C[NH2+]CCOCCNc1ncnc2ccccc21 ZINC000630530833 412292760 /nfs/dbraw/zinc/29/27/60/412292760.db2.gz QXZNDKJLTUJTCX-UHFFFAOYSA-N 1 0 246.314 1.278 10 0 BDAERO CCCc1nccnc1N[C@@H]1CC[NH2+]C1 ZINC000630547564 412368983 /nfs/dbraw/zinc/36/89/83/412368983.db2.gz QHWWNRODCNPWNX-SECBINFHSA-N 1 0 206.293 1.203 10 0 BDAERO CCc1cc(CC)nc(NC[C@H](C)C[NH3+])n1 ZINC000309249809 171758409 /nfs/dbraw/zinc/75/84/09/171758409.db2.gz ZLBQXRXDWBDLFB-SECBINFHSA-N 1 0 222.336 1.608 10 0 BDAERO CCCc1nccnc1N1CC[NH2+][C@@H](C)C1 ZINC000663271022 412403377 /nfs/dbraw/zinc/40/33/77/412403377.db2.gz VPCRYVCAGZOTOV-JTQLQIEISA-N 1 0 220.320 1.227 10 0 BDAERO CCCc1nccnc1NC[C@H]1CCC[NH2+]C1 ZINC000663270889 412403674 /nfs/dbraw/zinc/40/36/74/412403674.db2.gz SVPLNSFJBLYBMI-NSHDSACASA-N 1 0 234.347 1.841 10 0 BDAERO CCC[NH2+]CCNc1nccnc1CCC ZINC000663272300 412404137 /nfs/dbraw/zinc/40/41/37/412404137.db2.gz KQZSBXAIXBOBGW-UHFFFAOYSA-N 1 0 222.336 1.841 10 0 BDAERO Cc1noc2ncnc(NCC34CC(C3)C[NH2+]4)c12 ZINC000663274093 412404292 /nfs/dbraw/zinc/40/42/92/412404292.db2.gz NFOFPMPJSIOJRH-UHFFFAOYSA-N 1 0 245.286 1.090 10 0 BDAERO CCCc1nccnc1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000663272688 412404524 /nfs/dbraw/zinc/40/45/24/412404524.db2.gz REAZJWMFKKMYOQ-SRVKXCTJSA-N 1 0 246.358 1.603 10 0 BDAERO CCOc1cncc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663276420 412406313 /nfs/dbraw/zinc/40/63/13/412406313.db2.gz WWDGGRCDDMDTJN-SNVBAGLBSA-N 1 0 238.335 1.661 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ncncc1Cl ZINC000663279974 412408372 /nfs/dbraw/zinc/40/83/72/412408372.db2.gz WDKCCVKXEIUVHW-LURJTMIESA-N 1 0 200.673 1.150 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ncncc1Cl ZINC000663279976 412408570 /nfs/dbraw/zinc/40/85/70/412408570.db2.gz WDKCCVKXEIUVHW-ZCFIWIBFSA-N 1 0 200.673 1.150 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ncc(Cl)cn1 ZINC000663281531 412409365 /nfs/dbraw/zinc/40/93/65/412409365.db2.gz XCTVGJMXKVUSFG-LURJTMIESA-N 1 0 200.673 1.150 10 0 BDAERO CCc1ccc([C@H](C[NH3+])N2CCOC[C@@H]2C)cc1 ZINC000035774620 171841848 /nfs/dbraw/zinc/84/18/48/171841848.db2.gz KKYZLVXGZWGSDV-WFASDCNBSA-N 1 0 248.370 1.970 10 0 BDAERO CCc1nc([C@H]([NH3+])C2CCOCC2)no1 ZINC000052179569 172007418 /nfs/dbraw/zinc/00/74/18/172007418.db2.gz ODCBSPWMQBORCO-SECBINFHSA-N 1 0 211.265 1.058 10 0 BDAERO CCc1nc2cccnc2n1CCC[NH3+] ZINC000049454755 172014528 /nfs/dbraw/zinc/01/45/28/172014528.db2.gz PWECFHXHZBCJBE-UHFFFAOYSA-N 1 0 204.277 1.343 10 0 BDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)CC)CC2 ZINC000129450756 172015127 /nfs/dbraw/zinc/01/51/27/172015127.db2.gz BZPCVAJSFHQGSA-VHSXEESVSA-N 1 0 222.336 1.543 10 0 BDAERO CCc1noc(-c2ccc(C[NH3+])cc2)n1 ZINC000021815379 172072795 /nfs/dbraw/zinc/07/27/95/172072795.db2.gz YJKXSODLKXPLCA-UHFFFAOYSA-N 1 0 203.245 1.758 10 0 BDAERO CCc1nsc(N[C@H]2CC[C@H]([NH+](C)C)C2)n1 ZINC000301914927 172108179 /nfs/dbraw/zinc/10/81/79/172108179.db2.gz GBWRAFSXYIEVFP-IUCAKERBSA-N 1 0 240.376 1.995 10 0 BDAERO CCn1c(CC[NH3+])nc2cc(OC)ccc21 ZINC000074297557 172144521 /nfs/dbraw/zinc/14/45/21/172144521.db2.gz PRNIERUQIAXSGD-UHFFFAOYSA-N 1 0 219.288 1.566 10 0 BDAERO CCn1c(C[NH3+])nnc1SCc1cccnc1 ZINC000071374664 172145298 /nfs/dbraw/zinc/14/52/98/172145298.db2.gz CJUKPRUDQBZNFH-UHFFFAOYSA-N 1 0 249.343 1.444 10 0 BDAERO CCn1cc(CN2CCC[C@@H]2C[NH2+]C2CC2)cn1 ZINC000053649569 172165146 /nfs/dbraw/zinc/16/51/46/172165146.db2.gz KWSWEHWNCDCTJX-CQSZACIVSA-N 1 0 248.374 1.619 10 0 BDAERO CCn1cc(C[C@H]([NH3+])COc2ccccc2)cn1 ZINC000054436948 172177011 /nfs/dbraw/zinc/17/70/11/172177011.db2.gz VMWMKBGJQDWZDS-ZDUSSCGKSA-N 1 0 245.326 1.852 10 0 BDAERO CCn1cc([C@@H](C)N2CCC[NH2+]CC2)cn1 ZINC000044500913 172192871 /nfs/dbraw/zinc/19/28/71/172192871.db2.gz IYLZQYIIKOIVSQ-LLVKDONJSA-N 1 0 222.336 1.259 10 0 BDAERO CCn1cccc1C[NH2+]CCNC(=O)C1CC1 ZINC000160716806 172207047 /nfs/dbraw/zinc/20/70/47/172207047.db2.gz WFSYMMCRKSSEFL-UHFFFAOYSA-N 1 0 235.331 1.124 10 0 BDAERO CCn1cccc1C[NH2+]CCCC(=O)NC1CC1 ZINC000092987323 172207722 /nfs/dbraw/zinc/20/77/22/172207722.db2.gz FQDORNGKQXZTGF-UHFFFAOYSA-N 1 0 249.358 1.656 10 0 BDAERO CCn1cccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000227561158 172207895 /nfs/dbraw/zinc/20/78/95/172207895.db2.gz AFHIZOVTHHCKEA-WCQYABFASA-N 1 0 222.332 1.759 10 0 BDAERO CCn1cccc1C[NH2+]Cc1cnn(C)c1C ZINC000226310277 172207961 /nfs/dbraw/zinc/20/79/61/172207961.db2.gz BHGYUYQIVZOEDH-UHFFFAOYSA-N 1 0 232.331 1.840 10 0 BDAERO CCn1cccc1C[NH2+]CCOCCOC ZINC000085609302 172207969 /nfs/dbraw/zinc/20/79/69/172207969.db2.gz UQJTVQYNWWLEDI-UHFFFAOYSA-N 1 0 226.320 1.261 10 0 BDAERO CCn1cccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000085609460 172209766 /nfs/dbraw/zinc/20/97/66/172209766.db2.gz RUHPRAVHVNAGNS-CHWSQXEVSA-N 1 0 222.332 1.901 10 0 BDAERO CCn1ccnc1N1CCC[C@H](C[NH3+])C1 ZINC000050614395 172226162 /nfs/dbraw/zinc/22/61/62/172226162.db2.gz JVKPOHYQEOOHST-SNVBAGLBSA-N 1 0 208.309 1.078 10 0 BDAERO CCn1ccnc1N1CCC[C@H]([NH2+]C)C1 ZINC000053204980 172226180 /nfs/dbraw/zinc/22/61/80/172226180.db2.gz GOHMVCSCWXELFP-JTQLQIEISA-N 1 0 208.309 1.091 10 0 BDAERO CCn1nccc1CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000234208823 172268390 /nfs/dbraw/zinc/26/83/90/172268390.db2.gz MNRVLPBEJMMONU-WCQYABFASA-N 1 0 236.363 1.462 10 0 BDAERO CCn1ncnc1[C@@H]([NH3+])Cc1ccccc1 ZINC000054498846 172284632 /nfs/dbraw/zinc/28/46/32/172284632.db2.gz HXOXTJAJTMWODC-NSHDSACASA-N 1 0 216.288 1.541 10 0 BDAERO CN(C(=O)C1CCC([NH3+])CC1)[C@H]1CCSC1 ZINC000037482010 172298693 /nfs/dbraw/zinc/29/86/93/172298693.db2.gz SKDWNDRYVTXUKA-ILDUYXDCSA-N 1 0 242.388 1.468 10 0 BDAERO CN(C(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000106460609 172324704 /nfs/dbraw/zinc/32/47/04/172324704.db2.gz CLYUMSBOVQAUJU-CQSZACIVSA-N 1 0 246.354 1.780 10 0 BDAERO CN(C(=O)c1ccsc1)[C@H]1CCC[NH2+]C1 ZINC000082499402 172345027 /nfs/dbraw/zinc/34/50/27/172345027.db2.gz OLTONWCRXJHZAR-JTQLQIEISA-N 1 0 224.329 1.572 10 0 BDAERO CN(C)C(=O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000036852710 172371374 /nfs/dbraw/zinc/37/13/74/172371374.db2.gz QIIXOLJJLVOEBX-NSHDSACASA-N 1 0 234.299 1.057 10 0 BDAERO CN(C)C(=O)Oc1ccc2c(c1)[C@H]([NH3+])CC2 ZINC000013492196 172382678 /nfs/dbraw/zinc/38/26/78/172382678.db2.gz QZQSLQIZEWMPQS-LLVKDONJSA-N 1 0 220.272 1.693 10 0 BDAERO C[NH+](C)CCCNc1nc2ccc(N)cc2o1 ZINC000094352961 172443894 /nfs/dbraw/zinc/44/38/94/172443894.db2.gz VNPDYZHXLWDDCC-UHFFFAOYSA-N 1 0 234.303 1.774 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccsc2)C1 ZINC000157572131 172538763 /nfs/dbraw/zinc/53/87/63/172538763.db2.gz YRHUQQXRCBTHIL-JTQLQIEISA-N 1 0 239.344 1.916 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2cccc(Cl)n2)C1 ZINC000034538203 172540695 /nfs/dbraw/zinc/54/06/95/172540695.db2.gz XIESZHKIMVIQCK-VIFPVBQESA-N 1 0 225.723 1.875 10 0 BDAERO C[NH+](C)[C@H]1CCc2c(O)ccc(O)c2C1 ZINC000169325259 172541728 /nfs/dbraw/zinc/54/17/28/172541728.db2.gz NYODUDWDVPITIL-QMMMGPOBSA-N 1 0 207.273 1.517 10 0 BDAERO CN(C)c1ccc([C@H](O)C(C)(C)[NH3+])cc1 ZINC000019684239 172559543 /nfs/dbraw/zinc/55/95/43/172559543.db2.gz BUCMJGDQNYEAGK-NSHDSACASA-N 1 0 208.305 1.523 10 0 BDAERO CN(CC[C@H]1CCCC[NH2+]1)C(=O)NC(C)(C)C ZINC000020257013 172778217 /nfs/dbraw/zinc/77/82/17/172778217.db2.gz YMXMUXDONHOLIK-LLVKDONJSA-N 1 0 241.379 1.959 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)c1nc2cccnc2[nH]1 ZINC000095071126 172810206 /nfs/dbraw/zinc/81/02/06/172810206.db2.gz MGFOCFUZPNWVKP-SNVBAGLBSA-N 1 0 245.330 1.394 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)c1ncc(Cl)cn1 ZINC000095070935 172828048 /nfs/dbraw/zinc/82/80/48/172828048.db2.gz YFMDATWMNUQKBR-SECBINFHSA-N 1 0 226.711 1.318 10 0 BDAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055090000 172829873 /nfs/dbraw/zinc/82/98/73/172829873.db2.gz YSVVOPNJKOLANB-UTUOFQBUSA-N 1 0 240.347 1.141 10 0 BDAERO CN(C[C@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000052379859 172835097 /nfs/dbraw/zinc/83/50/97/172835097.db2.gz UBCBROORNVNQJP-CHWSQXEVSA-N 1 0 220.316 1.629 10 0 BDAERO Cn1cccc1C[NH2+]C[C@@H]1CCCCN1C ZINC000050596281 173010041 /nfs/dbraw/zinc/01/00/41/173010041.db2.gz DNXABHDQGGSXEM-LBPRGKRZSA-N 1 0 221.348 1.599 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000054243339 173010196 /nfs/dbraw/zinc/01/01/96/173010196.db2.gz CCZPDKAYDYYGKD-STQMWFEESA-N 1 0 226.364 1.487 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]Cc1ccncc1 ZINC000044561999 173010730 /nfs/dbraw/zinc/01/07/30/173010730.db2.gz OFJOSTFYQHPJTN-ZDUSSCGKSA-N 1 0 219.332 1.656 10 0 BDAERO C[N@@H+]1CCCN(C(=O)c2sccc2N)CC1 ZINC000040301872 173013387 /nfs/dbraw/zinc/01/33/87/173013387.db2.gz WFYCNTVWCHKFKE-UHFFFAOYSA-N 1 0 239.344 1.108 10 0 BDAERO CN1CCC[N@H+](C[Si](C)(C)C)CC1=O ZINC000191091418 173018354 /nfs/dbraw/zinc/01/83/54/173018354.db2.gz CVSKJOXHOOQGNA-UHFFFAOYSA-N 1 0 214.385 1.028 10 0 BDAERO C[N@@H+]1CCCNC(=O)C[C@H]1c1ccccc1 ZINC000147121458 173019181 /nfs/dbraw/zinc/01/91/81/173019181.db2.gz JJXMWFHHPADLCT-LBPRGKRZSA-N 1 0 218.300 1.570 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2cc(F)ccc2N)C1 ZINC000052120969 173020371 /nfs/dbraw/zinc/02/03/71/173020371.db2.gz QMVAMKZFYGASGT-SNVBAGLBSA-N 1 0 223.295 1.914 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CCOc1cccc(CO)n1 ZINC000051043422 173028320 /nfs/dbraw/zinc/02/83/20/173028320.db2.gz XMQIFEBRTUZUAT-GFCCVEGCSA-N 1 0 236.315 1.437 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ccc(N)nc2)C1 ZINC000040715738 173046820 /nfs/dbraw/zinc/04/68/20/173046820.db2.gz KRLFFUVRCAMURN-JTQLQIEISA-N 1 0 206.293 1.170 10 0 BDAERO CN1CCN(Cc2ccccc2)C[C@H]1C(C)(C)[NH3+] ZINC000096963456 173088355 /nfs/dbraw/zinc/08/83/55/173088355.db2.gz WGKGNSCDCHDDGD-AWEZNQCLSA-N 1 0 247.386 1.540 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304492085 173102604 /nfs/dbraw/zinc/10/26/04/173102604.db2.gz BWZKHVYZUNZUDR-WUHRBBMRSA-N 1 0 224.348 1.095 10 0 BDAERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCN3)C1 ZINC000042549158 173123358 /nfs/dbraw/zinc/12/33/58/173123358.db2.gz QAKWGDXRZOQTLO-GFCCVEGCSA-N 1 0 245.326 1.089 10 0 BDAERO C[N@@H+]1CC[C@@](N)(c2nc(C(C)(C)C)cs2)C1 ZINC000061991792 173136953 /nfs/dbraw/zinc/13/69/53/173136953.db2.gz MGAPTOOONIGILQ-LBPRGKRZSA-N 1 0 239.388 1.930 10 0 BDAERO C[N@@H+]1CC[C@H](CNCc2cncs2)C1 ZINC000054788118 173146688 /nfs/dbraw/zinc/14/66/88/173146688.db2.gz JRPGEWZOHZGDRX-SECBINFHSA-N 1 0 211.334 1.184 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ccnc(Cl)n2)C1 ZINC000051849618 173147617 /nfs/dbraw/zinc/14/76/17/173147617.db2.gz JEFRCIAOVBXQRW-MRVPVSSYSA-N 1 0 226.711 1.494 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2c(F)cc(N)cc2F)C1 ZINC000042545112 173154285 /nfs/dbraw/zinc/15/42/85/173154285.db2.gz GRXZPOHKCKUKGM-QMMMGPOBSA-N 1 0 227.258 1.663 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc3scnc3c2N)C1 ZINC000042545036 173155888 /nfs/dbraw/zinc/15/58/88/173155888.db2.gz ZIIHLJCSZOSEMB-QMMMGPOBSA-N 1 0 248.355 1.995 10 0 BDAERO CN1CCc2cc(Cl)cc(CC[NH3+])c21 ZINC000082952739 173170670 /nfs/dbraw/zinc/17/06/70/173170670.db2.gz HIIKHWJHQQOUNG-UHFFFAOYSA-N 1 0 210.708 1.834 10 0 BDAERO C[N@@H+]1C[C@@]2(C)C[C@@H]1Cc1ccc(O)cc12 ZINC000006068019 173190763 /nfs/dbraw/zinc/19/07/63/173190763.db2.gz FVVVZSVINPVAIU-GXFFZTMASA-N 1 0 203.285 1.910 10 0 BDAERO CN1C[C@H](C[NH3+])c2cc(Br)ccc21 ZINC000071484068 173192436 /nfs/dbraw/zinc/19/24/36/173192436.db2.gz MPKWXXYKPYVJQU-ZETCQYMHSA-N 1 0 241.132 1.941 10 0 BDAERO CN1c2ccccc2C[C@@]1(C)C1=[NH+]CCN1 ZINC000029340617 173208980 /nfs/dbraw/zinc/20/89/80/173208980.db2.gz GLBSIVJNXQFLOX-ZDUSSCGKSA-N 1 0 215.300 1.439 10 0 BDAERO CNC(=O)CC[C@H](C[NH3+])c1ccccc1OC ZINC000076619157 173262732 /nfs/dbraw/zinc/26/27/32/173262732.db2.gz PGSMQZKKUPYHEA-SNVBAGLBSA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)CN(C)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908333 173270436 /nfs/dbraw/zinc/27/04/36/173270436.db2.gz LGFTXNCXLYAKMR-BXUZGUMPSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)CN(C)[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034701 173272584 /nfs/dbraw/zinc/27/25/84/173272584.db2.gz XQNPWMYATUEBEW-RISCZKNCSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000037207540 173277380 /nfs/dbraw/zinc/27/73/80/173277380.db2.gz BVURKTAPPLREDT-QMMMGPOBSA-N 1 0 210.252 1.222 10 0 BDAERO CNC(=O)COc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629411 173279436 /nfs/dbraw/zinc/27/94/36/173279436.db2.gz RWYJFKMUQYWOAE-VIFPVBQESA-N 1 0 222.288 1.140 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000042561535 173295424 /nfs/dbraw/zinc/29/54/24/173295424.db2.gz QBJFEUGDFBYEOY-LMWSTFAQSA-N 1 0 246.354 1.965 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000042561492 173302704 /nfs/dbraw/zinc/30/27/04/173302704.db2.gz KGEXDAMRDCBVBQ-PKSQDBQZSA-N 1 0 232.327 1.657 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000042560532 173303578 /nfs/dbraw/zinc/30/35/78/173303578.db2.gz WRRAGRPENPERGM-BDAKNGLRSA-N 1 0 222.288 1.177 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)c1cccc(F)c1 ZINC000061319142 173317391 /nfs/dbraw/zinc/31/73/91/173317391.db2.gz MLJHCAADALMKEY-UHFFFAOYSA-N 1 0 224.279 1.787 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(C)c1 ZINC000061300251 173318375 /nfs/dbraw/zinc/31/83/75/173318375.db2.gz WJAQTCJLNHXFIF-UHFFFAOYSA-N 1 0 206.289 1.932 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000061300205 173318427 /nfs/dbraw/zinc/31/84/27/173318427.db2.gz DKDQCDMMMCYULL-UWVGGRQHSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1cccc(C)c1 ZINC000061316599 173318597 /nfs/dbraw/zinc/31/85/97/173318597.db2.gz WXHKGUUEGLUHGD-UHFFFAOYSA-N 1 0 220.316 1.609 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1CO ZINC000061316308 173319218 /nfs/dbraw/zinc/31/92/18/173319218.db2.gz UTQVZELPHHBBLQ-UHFFFAOYSA-N 1 0 222.288 1.115 10 0 BDAERO C[NH2+]C(C)(C)Cc1ccc2c(c1)OCO2 ZINC000027626481 173320497 /nfs/dbraw/zinc/32/04/97/173320497.db2.gz CRFWCCGPRXKZSM-UHFFFAOYSA-N 1 0 207.273 1.956 10 0 BDAERO C[NH2+]C1(CN(C)c2ccc(C)nc2)CC1 ZINC000034850037 173321040 /nfs/dbraw/zinc/32/10/40/173321040.db2.gz XHGBODMGCRPDKS-UHFFFAOYSA-N 1 0 205.305 1.578 10 0 BDAERO C[NH2+]C1CCN(CC(=O)c2cccs2)CC1 ZINC000095071515 173323482 /nfs/dbraw/zinc/32/34/82/173323482.db2.gz AVNUKTOKPYJWRA-UHFFFAOYSA-N 1 0 238.356 1.615 10 0 BDAERO C[NH2+]C1CCN(c2nc3cccnc3[nH]2)CC1 ZINC000095071547 173323784 /nfs/dbraw/zinc/32/37/84/173323784.db2.gz GDYYWHQNJWATMC-UHFFFAOYSA-N 1 0 231.303 1.098 10 0 BDAERO C[NH2+]CC(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000037823831 173325526 /nfs/dbraw/zinc/32/55/26/173325526.db2.gz QDPWJQNPZWUJRV-UHFFFAOYSA-N 1 0 234.299 1.103 10 0 BDAERO C[NH2+]CC(=O)NCCN(C)c1cccc(C)c1C ZINC000077429275 173328690 /nfs/dbraw/zinc/32/86/90/173328690.db2.gz XJGOLRKIJIQPJS-UHFFFAOYSA-N 1 0 249.358 1.075 10 0 BDAERO C[NH2+]CC(=O)NCCN(C)c1cc(C)ccc1C ZINC000077429260 173328856 /nfs/dbraw/zinc/32/88/56/173328856.db2.gz FRUMRSZMBZMOQY-UHFFFAOYSA-N 1 0 249.358 1.075 10 0 BDAERO C[NH2+]CC(=O)c1cc(Br)cs1 ZINC000071543368 173334713 /nfs/dbraw/zinc/33/47/13/173334713.db2.gz ZWUJVDKMYTZWPO-UHFFFAOYSA-N 1 0 234.118 1.913 10 0 BDAERO C[NH2+]CC(=O)c1ccccc1Br ZINC000082351173 173336196 /nfs/dbraw/zinc/33/61/96/173336196.db2.gz PIXQYYUYSADCDO-UHFFFAOYSA-N 1 0 228.089 1.851 10 0 BDAERO C[NH2+]CC1(C[C@@H]2CCCO2)CCOCC1 ZINC000061673997 173338076 /nfs/dbraw/zinc/33/80/76/173338076.db2.gz OVXGTXNAYQHYCX-NSHDSACASA-N 1 0 213.321 1.572 10 0 BDAERO C[NH2+]CC1(c2ccc(OC)cc2)CCOCC1 ZINC000053738491 173338186 /nfs/dbraw/zinc/33/81/86/173338186.db2.gz CQXWAKPVMBIKGQ-UHFFFAOYSA-N 1 0 235.327 1.963 10 0 BDAERO C[NH2+]CCC(=O)N(C)Cc1ccc(C)o1 ZINC000049844322 173339491 /nfs/dbraw/zinc/33/94/91/173339491.db2.gz DDJNXKAZTIQITJ-UHFFFAOYSA-N 1 0 210.277 1.156 10 0 BDAERO C[NH2+]CCC(=O)OCc1cc(F)ccc1F ZINC000077343030 173342269 /nfs/dbraw/zinc/34/22/69/173342269.db2.gz GJDYHUQYXVKQBU-UHFFFAOYSA-N 1 0 229.226 1.618 10 0 BDAERO C[NH2+]CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000049827216 173342778 /nfs/dbraw/zinc/34/27/78/173342778.db2.gz JMOZHDPQXSTEQG-UHFFFAOYSA-N 1 0 235.283 1.640 10 0 BDAERO C[NH2+]CCCC(=O)N[C@]1(CO)CCC[C@@H](C)C1 ZINC000053128100 173344934 /nfs/dbraw/zinc/34/49/34/173344934.db2.gz OVVMCXJNWWHMSH-DGCLKSJQSA-N 1 0 242.363 1.043 10 0 BDAERO C[NH2+]CCCOc1cccc(N(C)C)c1 ZINC000019669848 173349731 /nfs/dbraw/zinc/34/97/31/173349731.db2.gz LVEITHGPIFTVSU-UHFFFAOYSA-N 1 0 208.305 1.741 10 0 BDAERO C[NH2+]CCCc1ccc(OC)cc1OC ZINC000019785253 173350673 /nfs/dbraw/zinc/35/06/73/173350673.db2.gz UZHYKTSFWPDVAU-UHFFFAOYSA-N 1 0 209.289 1.856 10 0 BDAERO C[NH2+]CCCn1ncc2ccccc2c1=O ZINC000042409882 173351467 /nfs/dbraw/zinc/35/14/67/173351467.db2.gz CTFXJQBUFVQJHY-UHFFFAOYSA-N 1 0 217.272 1.006 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc2c(c1)ncn2C ZINC000077403820 173352611 /nfs/dbraw/zinc/35/26/11/173352611.db2.gz VIWKQGREKMYBSC-UHFFFAOYSA-N 1 0 246.358 1.267 10 0 BDAERO C[NH2+]CCN(C)c1nccc2sccc21 ZINC000053663815 173354610 /nfs/dbraw/zinc/35/46/10/173354610.db2.gz ZDLKUXDJJBWDGH-UHFFFAOYSA-N 1 0 221.329 1.952 10 0 BDAERO C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000051866839 173357599 /nfs/dbraw/zinc/35/75/99/173357599.db2.gz HUQWRNJXNHUYFG-UHFFFAOYSA-N 1 0 221.087 1.987 10 0 BDAERO C[NH2+]CCOc1ccc(Br)cn1 ZINC000051866820 173357859 /nfs/dbraw/zinc/35/78/59/173357859.db2.gz UOHNVHSEHHCTNP-UHFFFAOYSA-N 1 0 231.093 1.442 10 0 BDAERO C[NH2+]CCc1nc2cc(F)c(F)cc2[nH]1 ZINC000043598754 173361384 /nfs/dbraw/zinc/36/13/84/173361384.db2.gz BDLDYMLYGKAFOT-UHFFFAOYSA-N 1 0 211.215 1.603 10 0 BDAERO C[NH2+]CCc1noc(-c2cc(F)ccc2C)n1 ZINC000062667126 173361746 /nfs/dbraw/zinc/36/17/46/173361746.db2.gz UXTZSXJKDMQOOR-UHFFFAOYSA-N 1 0 235.262 1.946 10 0 BDAERO C[NH2+]CCc1nnc(-c2cccc(C)c2)o1 ZINC000050619472 173361768 /nfs/dbraw/zinc/36/17/68/173361768.db2.gz FMUOUFUNLLASSF-UHFFFAOYSA-N 1 0 217.272 1.807 10 0 BDAERO C[NH2+]CCc1noc(-c2ccoc2C)n1 ZINC000051850790 173361872 /nfs/dbraw/zinc/36/18/72/173361872.db2.gz GTPQNZNYNGZIBT-UHFFFAOYSA-N 1 0 207.233 1.400 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)N1CCCO[C@H](C)C1 ZINC000061935745 173362167 /nfs/dbraw/zinc/36/21/67/173362167.db2.gz XGSNOFZVSACXFX-NEPJUHHUSA-N 1 0 214.353 1.341 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ccc(Cl)nn1 ZINC000051867257 173364977 /nfs/dbraw/zinc/36/49/77/173364977.db2.gz YDNMLWLHZJLWQU-ZCFIWIBFSA-N 1 0 201.657 1.117 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1nc2ccccc2o1 ZINC000051867811 173365126 /nfs/dbraw/zinc/36/51/26/173365126.db2.gz DISXVYLOQIKXCZ-MRVPVSSYSA-N 1 0 206.245 1.815 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(F)ccc1Cl ZINC000082927031 173365352 /nfs/dbraw/zinc/36/53/52/173365352.db2.gz FRHIOUZQYDJMKJ-SECBINFHSA-N 1 0 203.644 1.732 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1cccc(C)c1 ZINC000019686975 173365440 /nfs/dbraw/zinc/36/54/40/173365440.db2.gz IFFVCSNAHGJRLT-SNVBAGLBSA-N 1 0 211.330 1.667 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1ccc(C)c(C)c1 ZINC000019686883 173365498 /nfs/dbraw/zinc/36/54/98/173365498.db2.gz YDMPCTYFTUVRNS-LLVKDONJSA-N 1 0 225.357 1.976 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1cc(C)ccc1C ZINC000019686891 173365633 /nfs/dbraw/zinc/36/56/33/173365633.db2.gz HATFGPVKPHKIAT-LLVKDONJSA-N 1 0 225.357 1.976 10 0 BDAERO C[NH2+]C[C@@H](O)COc1cccc2cccnc21 ZINC000020296898 173365775 /nfs/dbraw/zinc/36/57/75/173365775.db2.gz BRFTXFFLWKPZAY-LLVKDONJSA-N 1 0 232.283 1.194 10 0 BDAERO C[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000019864362 173365907 /nfs/dbraw/zinc/36/59/07/173365907.db2.gz UVJKGXLXHYPLLW-LLVKDONJSA-N 1 0 233.315 1.233 10 0 BDAERO C[NH2+]C[C@@H](c1ccccc1)n1cccn1 ZINC000052574959 173367297 /nfs/dbraw/zinc/36/72/97/173367297.db2.gz VKHOYMULUUQNFD-LBPRGKRZSA-N 1 0 201.273 1.692 10 0 BDAERO C[NH2+]C[C@H](C)COc1ccc2c(c1)OCO2 ZINC000041242239 173375962 /nfs/dbraw/zinc/37/59/62/173375962.db2.gz GXQGGWPEDAEEPK-VIFPVBQESA-N 1 0 223.272 1.650 10 0 BDAERO C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000082600484 173376058 /nfs/dbraw/zinc/37/60/58/173376058.db2.gz FKOPVGVEGJZLFZ-VIFPVBQESA-N 1 0 227.329 1.413 10 0 BDAERO C[NH2+]C[C@H](C)Cn1nnc2ccccc21 ZINC000052576807 173376282 /nfs/dbraw/zinc/37/62/82/173376282.db2.gz HMRHDNAGJSTVMF-VIFPVBQESA-N 1 0 204.277 1.287 10 0 BDAERO C[NH2+]C[C@H](C)Sc1nnc2ccccn21 ZINC000061408776 173376332 /nfs/dbraw/zinc/37/63/32/173376332.db2.gz OMVSUDYWEPTUJZ-QMMMGPOBSA-N 1 0 222.317 1.429 10 0 BDAERO C[NH2+]C[C@H](C)Oc1nc2ccccc2o1 ZINC000051867810 173376338 /nfs/dbraw/zinc/37/63/38/173376338.db2.gz DISXVYLOQIKXCZ-QMMMGPOBSA-N 1 0 206.245 1.815 10 0 BDAERO C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000019864914 173376735 /nfs/dbraw/zinc/37/67/35/173376735.db2.gz IQBZYKMDGSVJBG-JTQLQIEISA-N 1 0 229.707 1.437 10 0 BDAERO C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000019864538 173377053 /nfs/dbraw/zinc/37/70/53/173377053.db2.gz ANVMKOCXBZHKBG-NSHDSACASA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+]C[C@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000061277651 173378998 /nfs/dbraw/zinc/37/89/98/173378998.db2.gz CJQIOMXAHHJEHG-LLVKDONJSA-N 1 0 246.358 1.401 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1ncnc2ccccc21 ZINC000053703895 173381121 /nfs/dbraw/zinc/38/11/21/173381121.db2.gz JKXQIAGLRXOXIE-LLVKDONJSA-N 1 0 242.326 1.818 10 0 BDAERO C[NH2+]C[C@]1(O)CCCCc2ccccc21 ZINC000055027355 173383847 /nfs/dbraw/zinc/38/38/47/173383847.db2.gz OVTOMTJZYGVMDS-CYBMUJFWSA-N 1 0 205.301 1.820 10 0 BDAERO C[NH2+]Cc1c(N(C)CC2CC2)nc2ccccn21 ZINC000037926033 173385167 /nfs/dbraw/zinc/38/51/67/173385167.db2.gz RJEXREQTAGTWFG-UHFFFAOYSA-N 1 0 244.342 1.900 10 0 BDAERO C[NH2+]Cc1c(N(C)C(C)C)nc2ccccn21 ZINC000035434148 173385204 /nfs/dbraw/zinc/38/52/04/173385204.db2.gz PWWWPCWVVKBGDG-UHFFFAOYSA-N 1 0 232.331 1.898 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N1C[C@H]2CC[C@@H]1C2 ZINC000049716452 173385240 /nfs/dbraw/zinc/38/52/40/173385240.db2.gz OGRLFDJZKXQNLQ-WDEREUQCSA-N 1 0 234.347 1.437 10 0 BDAERO C[NH2+]Cc1cc(F)ccc1N1CC[C@@H](O)C1 ZINC000061711293 173386989 /nfs/dbraw/zinc/38/69/89/173386989.db2.gz WIPKTBJJVDVCBL-LLVKDONJSA-N 1 0 224.279 1.116 10 0 BDAERO C[NH2+]Cc1cc(Cn2ccnc2)c(C)o1 ZINC000052575513 173387552 /nfs/dbraw/zinc/38/75/52/173387552.db2.gz KPMLXNQOHGPNLY-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+]Cc1cc2ccccc2c(-n2cncn2)n1 ZINC000051489571 173388046 /nfs/dbraw/zinc/38/80/46/173388046.db2.gz RRLHAUFCVQVTFZ-UHFFFAOYSA-N 1 0 239.282 1.535 10 0 BDAERO C[NH2+]Cc1ccc(OC)c(OCCCOC)c1 ZINC000037753456 173388997 /nfs/dbraw/zinc/38/89/97/173388997.db2.gz KLJHJERRJOJOSE-UHFFFAOYSA-N 1 0 239.315 1.830 10 0 BDAERO C[NH2+]Cc1ccc(N2CCC[C@@H]2C)nn1 ZINC000051398883 173389026 /nfs/dbraw/zinc/38/90/26/173389026.db2.gz DEZCHFXKZKERQB-VIFPVBQESA-N 1 0 206.293 1.185 10 0 BDAERO C[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000041054437 173389552 /nfs/dbraw/zinc/38/95/52/173389552.db2.gz CQDLZMNBJQPCFT-UHFFFAOYSA-N 1 0 206.245 1.363 10 0 BDAERO C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000052575520 173390117 /nfs/dbraw/zinc/39/01/17/173390117.db2.gz KTCVRLRGEHQOGY-UHFFFAOYSA-N 1 0 201.273 1.651 10 0 BDAERO C[NH2+]Cc1ccccc1N(CC(N)=O)CC(C)C ZINC000042691791 173390433 /nfs/dbraw/zinc/39/04/33/173390433.db2.gz WANZNGRNVOXAAL-UHFFFAOYSA-N 1 0 249.358 1.354 10 0 BDAERO C[NH2+]Cc1cccnc1-n1nc(C)cc1C ZINC000051490517 173390630 /nfs/dbraw/zinc/39/06/30/173390630.db2.gz JMCXGBRGGCUIJU-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1ccnc(-c2cccs2)n1 ZINC000054791182 173391593 /nfs/dbraw/zinc/39/15/93/173391593.db2.gz ZFPGGQKPSCEDFL-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1cn(C)nc1-c1ccc(OC)cc1 ZINC000031886991 173391726 /nfs/dbraw/zinc/39/17/26/173391726.db2.gz XWSNRHUHUWMDIN-UHFFFAOYSA-N 1 0 231.299 1.815 10 0 BDAERO C[NH2+]Cc1cnc(Cc2cccnc2)s1 ZINC000053132436 173392121 /nfs/dbraw/zinc/39/21/21/173392121.db2.gz XHBBXYXWDYSQPD-UHFFFAOYSA-N 1 0 219.313 1.848 10 0 BDAERO C[NH2+]Cc1cnc(N2CCC[C@H]2C)s1 ZINC000054898994 173392219 /nfs/dbraw/zinc/39/22/19/173392219.db2.gz MLNRAWCGDLYMQO-MRVPVSSYSA-N 1 0 211.334 1.851 10 0 BDAERO C[NH2+]Cc1cnc(-n2cc(C)cn2)c(Cl)c1 ZINC000051492286 173392555 /nfs/dbraw/zinc/39/25/55/173392555.db2.gz OLQJXRAYYIFZTJ-UHFFFAOYSA-N 1 0 236.706 1.949 10 0 BDAERO C[NH2+]Cc1cnc(-c2ccncc2)nc1 ZINC000054855534 173392621 /nfs/dbraw/zinc/39/26/21/173392621.db2.gz BPWCWNYYBPDDNB-UHFFFAOYSA-N 1 0 200.245 1.258 10 0 BDAERO C[NH2+]Cc1cnc(N2CC[C@@H](C)C2)s1 ZINC000054905898 173392686 /nfs/dbraw/zinc/39/26/86/173392686.db2.gz QIIHFKARUCXBCB-MRVPVSSYSA-N 1 0 211.334 1.709 10 0 BDAERO C[NH2+]Cc1nc(-n2cncn2)ccc1Cl ZINC000051489506 173394205 /nfs/dbraw/zinc/39/42/05/173394205.db2.gz YANGVSZLSSZLLR-UHFFFAOYSA-N 1 0 223.667 1.035 10 0 BDAERO C[NH2+]Cc1nnc(-c2scnc2C)o1 ZINC000050615349 173397717 /nfs/dbraw/zinc/39/77/17/173397717.db2.gz HUMMPQWMFWTLFL-UHFFFAOYSA-N 1 0 210.262 1.221 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(C)nc2)o1 ZINC000050615316 173398028 /nfs/dbraw/zinc/39/80/28/173398028.db2.gz MKNCYQLKSSKHPW-UHFFFAOYSA-N 1 0 204.233 1.159 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H](C)c1ccc(C)s1 ZINC000054748111 173398994 /nfs/dbraw/zinc/39/89/94/173398994.db2.gz SRHPLLDAFYXGRN-MRVPVSSYSA-N 1 0 237.332 1.372 10 0 BDAERO C[NH2+]Cc1occc1CN1CCO[C@@H](C)C1 ZINC000052382427 173399708 /nfs/dbraw/zinc/39/97/08/173399708.db2.gz CMDPLPYXCWDFPW-JTQLQIEISA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+][C@@H](C)CCc1ccc(OCCO)cc1 ZINC000034821419 173414333 /nfs/dbraw/zinc/41/43/33/173414333.db2.gz RNUOGZIRVNCIBU-NSHDSACASA-N 1 0 223.316 1.598 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(F)cc1 ZINC000095075908 173438094 /nfs/dbraw/zinc/43/80/94/173438094.db2.gz FKFNWHIJVXJBTQ-DGCLKSJQSA-N 1 0 223.291 1.993 10 0 BDAERO C[NH2+][C@@]1(C(N)=O)CCCC[C@H]1C(C)(C)C ZINC000037869763 173440173 /nfs/dbraw/zinc/44/01/73/173440173.db2.gz WSEDZQWONGRAOZ-CABZTGNLSA-N 1 0 212.337 1.666 10 0 BDAERO C[NH2+][C@H](C)Cc1nc(-c2ccccc2)no1 ZINC000039238745 173446921 /nfs/dbraw/zinc/44/69/21/173446921.db2.gz ZTSABJQUAUCVET-SECBINFHSA-N 1 0 217.272 1.887 10 0 BDAERO C[NH2+][C@H]1CCN(c2cc(F)cc(F)c2)C1 ZINC000037241988 173466704 /nfs/dbraw/zinc/46/67/04/173466704.db2.gz QSAJUGHEQYMJGC-JTQLQIEISA-N 1 0 212.243 1.763 10 0 BDAERO C[NH2+][C@H]1CCN(c2ccc(C)c(F)c2)C1 ZINC000037241559 173467306 /nfs/dbraw/zinc/46/73/06/173467306.db2.gz JCUBQOAOPHREFV-JTQLQIEISA-N 1 0 208.280 1.932 10 0 BDAERO COC(=O)CN1CCC[C@@H](C[NH2+]CC(C)C)C1 ZINC000104422914 173586201 /nfs/dbraw/zinc/58/62/01/173586201.db2.gz PFYTXMPNJOMARQ-LBPRGKRZSA-N 1 0 242.363 1.117 10 0 BDAERO COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]CCO ZINC000336758171 173809167 /nfs/dbraw/zinc/80/91/67/173809167.db2.gz IEGXNSIUNZSVLJ-WDEREUQCSA-N 1 0 229.320 1.080 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H](c2ccc(C)cc2)C1 ZINC000082162759 173823294 /nfs/dbraw/zinc/82/32/94/173823294.db2.gz BQJVGLDXABJDHR-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO COC(C[NH2+]Cc1ccc(F)c(C)c1)OC ZINC000050545522 173960926 /nfs/dbraw/zinc/96/09/26/173960926.db2.gz FMGAPKNGMIMRBI-UHFFFAOYSA-N 1 0 227.279 1.843 10 0 BDAERO COC1CC[NH+]([C@H]([C@@H](C)N)C(C)(C)C)CC1 ZINC000043292260 174031198 /nfs/dbraw/zinc/03/11/98/174031198.db2.gz KRTKAFJQKQGWSA-ZYHUDNBSSA-N 1 0 228.380 1.859 10 0 BDAERO COCC1(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000361389077 174104870 /nfs/dbraw/zinc/10/48/70/174104870.db2.gz IGKXKPLTNJHKCJ-WDEREUQCSA-N 1 0 240.347 1.060 10 0 BDAERO COCC1=CCN(CC[NH2+]C(C)C)CC1 ZINC000124985388 174114569 /nfs/dbraw/zinc/11/45/69/174114569.db2.gz MRYZZRZXIMXFFZ-UHFFFAOYSA-N 1 0 212.337 1.263 10 0 BDAERO COCCCCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113518246 174180428 /nfs/dbraw/zinc/18/04/28/174180428.db2.gz YJAXYFYGCSDZHF-UONOGXRCSA-N 1 0 240.391 1.972 10 0 BDAERO COCCCC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352667468 174187657 /nfs/dbraw/zinc/18/76/57/174187657.db2.gz KOPABZJXEIJHMN-WDEREUQCSA-N 1 0 201.310 1.258 10 0 BDAERO COCCCN(C)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000062029365 174221245 /nfs/dbraw/zinc/22/12/45/174221245.db2.gz ZAMMLKNKEKZJGM-DGCLKSJQSA-N 1 0 237.347 1.438 10 0 BDAERO COCCCN(CCOC)C[C@H]([NH3+])CC(C)C ZINC000042425414 174224405 /nfs/dbraw/zinc/22/44/05/174224405.db2.gz RQRVSIKSVGCSSN-CYBMUJFWSA-N 1 0 246.395 1.345 10 0 BDAERO COCCCN(CCOC)[C@@H](C[NH3+])CC(C)C ZINC000042421092 174225734 /nfs/dbraw/zinc/22/57/34/174225734.db2.gz OGZPSGQFSGFIQS-CYBMUJFWSA-N 1 0 246.395 1.345 10 0 BDAERO COCCC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009936 174246854 /nfs/dbraw/zinc/24/68/54/174246854.db2.gz RLZPTGOEIYVHJZ-LBPRGKRZSA-N 1 0 221.300 1.616 10 0 BDAERO COCCC[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000036922983 174247433 /nfs/dbraw/zinc/24/74/33/174247433.db2.gz BDFBDFRNDFTZIT-UHFFFAOYSA-N 1 0 236.315 1.560 10 0 BDAERO COCCC[NH2+]Cc1sc(OC)nc1C ZINC000045205501 174248373 /nfs/dbraw/zinc/24/83/73/174248373.db2.gz XHACADGVZHQACJ-UHFFFAOYSA-N 1 0 230.333 1.586 10 0 BDAERO COCCCn1c(N)[nH+]c2ccc(F)cc21 ZINC000052122920 174266657 /nfs/dbraw/zinc/26/66/57/174266657.db2.gz LPSIKGQBBPBHSK-UHFFFAOYSA-N 1 0 223.251 1.794 10 0 BDAERO COCCN(C(=O)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000037814621 174269310 /nfs/dbraw/zinc/26/93/10/174269310.db2.gz MVZVIRRLFGGATN-CYBMUJFWSA-N 1 0 248.326 1.324 10 0 BDAERO COCCN(C)C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055163160 174272521 /nfs/dbraw/zinc/27/25/21/174272521.db2.gz WILBBRLHYISJRI-VXGBXAGGSA-N 1 0 242.363 1.246 10 0 BDAERO COCCN(C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000048924458 174282324 /nfs/dbraw/zinc/28/23/24/174282324.db2.gz OLMYVWJIYSUOLN-WDEREUQCSA-N 1 0 200.326 1.225 10 0 BDAERO COCCN(C)[C@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042909058 174283512 /nfs/dbraw/zinc/28/35/12/174283512.db2.gz XKPMODRQQCTNOT-JSGCOSHPSA-N 1 0 236.359 1.962 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000041287758 174284074 /nfs/dbraw/zinc/28/40/74/174284074.db2.gz KAFQTTHEIZOYLK-GFCCVEGCSA-N 1 0 242.750 1.918 10 0 BDAERO COCCN(C)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972452 174284233 /nfs/dbraw/zinc/28/42/33/174284233.db2.gz BLKDEKBGZNRTBB-MFKMUULPSA-N 1 0 240.322 1.792 10 0 BDAERO COCCN(CCC(N)=[NH2+])c1ccccc1 ZINC000019423974 174289990 /nfs/dbraw/zinc/28/99/90/174289990.db2.gz IVKACLGEEYKQIS-UHFFFAOYSA-N 1 0 221.304 1.465 10 0 BDAERO COCC[N@H+](C[C@H](C)C(=O)OC)[C@@H](C)C1CC1 ZINC000042680346 174297173 /nfs/dbraw/zinc/29/71/73/174297173.db2.gz YEJVWDYRWYWBQW-QWRGUYRKSA-N 1 0 243.347 1.542 10 0 BDAERO COCCN(C[C@@H]1CCCC[NH2+]1)[C@@H](C)COC ZINC000042610850 174297968 /nfs/dbraw/zinc/29/79/68/174297968.db2.gz PNIJBHBDNLGDQD-STQMWFEESA-N 1 0 244.379 1.112 10 0 BDAERO COCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105900829 174306199 /nfs/dbraw/zinc/30/61/99/174306199.db2.gz CAVQXTUFCYFIKR-GFCCVEGCSA-N 1 0 223.320 1.475 10 0 BDAERO COCCN1CCC[NH2+][C@H](CC(C)C)C1 ZINC000062571854 174306654 /nfs/dbraw/zinc/30/66/54/174306654.db2.gz VMYQLSZZNHBOIP-GFCCVEGCSA-N 1 0 214.353 1.343 10 0 BDAERO COCCN1CCC[C@@H]1C[NH2+]C(C)(C)C ZINC000053649645 174306889 /nfs/dbraw/zinc/30/68/89/174306889.db2.gz PVHBHTUPHNIKHW-LLVKDONJSA-N 1 0 214.353 1.485 10 0 BDAERO COCC[N@@H+]1CCN(Cc2ccco2)C[C@@H]1C ZINC000120776502 174310333 /nfs/dbraw/zinc/31/03/33/174310333.db2.gz MHFDXVMOWARSFY-LBPRGKRZSA-N 1 0 238.331 1.432 10 0 BDAERO COCC[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032892 174315479 /nfs/dbraw/zinc/31/54/79/174315479.db2.gz ULVZGWCMOYYMKH-UHFFFAOYSA-N 1 0 206.289 1.273 10 0 BDAERO COCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000062614015 174316859 /nfs/dbraw/zinc/31/68/59/174316859.db2.gz PBUIHJMEFJVYQR-QWHCGFSZSA-N 1 0 228.380 1.587 10 0 BDAERO COCCN1C[C@@H](C(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000062620953 174317034 /nfs/dbraw/zinc/31/70/34/174317034.db2.gz VHMCSGQADPNDEH-KBPBESRZSA-N 1 0 242.407 1.977 10 0 BDAERO COCC[NH2+]CCn1ccnc1-c1ccccc1 ZINC000053540023 174333305 /nfs/dbraw/zinc/33/33/05/174333305.db2.gz LHXUXRYOVHZIOT-UHFFFAOYSA-N 1 0 245.326 1.786 10 0 BDAERO COCC[NH2+]C[C@@H](C)n1ncc2ccccc21 ZINC000053536671 174333835 /nfs/dbraw/zinc/33/38/35/174333835.db2.gz SRINDPGLTAHPKH-LLVKDONJSA-N 1 0 233.315 1.833 10 0 BDAERO COCC[NH2+]C[C@H](O)c1ccc(OC)c(C)c1 ZINC000049829734 174334136 /nfs/dbraw/zinc/33/41/36/174334136.db2.gz KZKFBCOVSRLEQQ-LBPRGKRZSA-N 1 0 239.315 1.273 10 0 BDAERO COCC[NH2+]C[C@H](O)c1ccc(C)cc1C ZINC000049819410 174334554 /nfs/dbraw/zinc/33/45/54/174334554.db2.gz QUWFYWPXYUORLY-ZDUSSCGKSA-N 1 0 223.316 1.573 10 0 BDAERO COCCNc1ccc(F)cc1CC[NH3+] ZINC000071518540 174340771 /nfs/dbraw/zinc/34/07/71/174340771.db2.gz KWSGBFGYWVBFSD-UHFFFAOYSA-N 1 0 212.268 1.385 10 0 BDAERO COCCOCc1ccc(C(N)=[NH2+])cc1 ZINC000019477767 174364731 /nfs/dbraw/zinc/36/47/31/174364731.db2.gz PDCJNKPCYHCCGY-UHFFFAOYSA-N 1 0 208.261 1.134 10 0 BDAERO COCCO[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043029832 174365326 /nfs/dbraw/zinc/36/53/26/174365326.db2.gz BYKDLKWSSHSFKO-ZWNOBZJWSA-N 1 0 239.315 1.747 10 0 BDAERO COCCO[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000019386710 174366475 /nfs/dbraw/zinc/36/64/75/174366475.db2.gz LWYFNYKOFJBZHD-NEPJUHHUSA-N 1 0 207.273 1.274 10 0 BDAERO COC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)C1CC1 ZINC000178364942 174585897 /nfs/dbraw/zinc/58/58/97/174585897.db2.gz ZQOYJLYGGORWIC-ILXRZTDVSA-N 1 0 247.338 1.659 10 0 BDAERO COC[C@](C)([NH3+])Cc1cc(F)ccc1F ZINC000053173609 174615115 /nfs/dbraw/zinc/61/51/15/174615115.db2.gz OVCJNRNXDNQROO-LLVKDONJSA-N 1 0 215.243 1.871 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C[C@@H](C)O)C1(C)C ZINC000309475119 174785383 /nfs/dbraw/zinc/78/53/83/174785383.db2.gz ROOPFDXLNWAJQO-MTVMDMGHSA-N 1 0 229.364 1.795 10 0 BDAERO COc1cc(O)cc2c1[C@H](C)[NH2+][C@@H](C)C2 ZINC000034520478 175006265 /nfs/dbraw/zinc/00/62/65/175006265.db2.gz RNCDEHUVRUVRIQ-YUMQZZPRSA-N 1 0 207.273 1.996 10 0 BDAERO COc1cc(OC)c(NCC[NH3+])c(OC)c1 ZINC000107288003 175007037 /nfs/dbraw/zinc/00/70/37/175007037.db2.gz XRKQKVMGJBPZMR-UHFFFAOYSA-N 1 0 226.276 1.083 10 0 BDAERO COc1cc(OC)c(C[C@H](C)[NH3+])cc1C ZINC000006069833 175007237 /nfs/dbraw/zinc/00/72/37/175007237.db2.gz NOEGLABJKXQKEG-VIFPVBQESA-N 1 0 209.289 1.902 10 0 BDAERO COc1cc(OC)c(OC)cc1CCC[NH3+] ZINC000043559353 175007351 /nfs/dbraw/zinc/00/73/51/175007351.db2.gz TWFMHWUIRNLENG-UHFFFAOYSA-N 1 0 225.288 1.604 10 0 BDAERO COc1cc(OC)c([C@H]2C[C@H]2C[NH3+])cc1OC ZINC000054586833 175008067 /nfs/dbraw/zinc/00/80/67/175008067.db2.gz FGOCTTJENQYEJA-IUCAKERBSA-N 1 0 237.299 1.775 10 0 BDAERO COc1cc(OC)cc(OCCC(N)=[NH2+])c1 ZINC000036205235 175010254 /nfs/dbraw/zinc/01/02/54/175010254.db2.gz JJTGYUBCIDDIKY-UHFFFAOYSA-N 1 0 224.260 1.409 10 0 BDAERO COc1cc([C@@H](O)C(C)(C)[NH3+])ccc1O ZINC000019684285 175013763 /nfs/dbraw/zinc/01/37/63/175013763.db2.gz JXWNUWQXGGYZNX-SNVBAGLBSA-N 1 0 211.261 1.172 10 0 BDAERO COc1cc([C@H](O)[C@H]([NH3+])CC(C)C)ccc1O ZINC000054929254 175017165 /nfs/dbraw/zinc/01/71/65/175017165.db2.gz LUFLQHTZECZNSE-MFKMUULPSA-N 1 0 239.315 1.808 10 0 BDAERO COc1cc2[nH]cc(CC[NH3+])c2cc1O ZINC000141479774 175018627 /nfs/dbraw/zinc/01/86/27/175018627.db2.gz YEAKJKBDBPBKBK-UHFFFAOYSA-N 1 0 206.245 1.383 10 0 BDAERO COc1ccc(-c2cnc(CC[NH3+])o2)cc1OC ZINC000011587019 175035809 /nfs/dbraw/zinc/03/58/09/175035809.db2.gz NJVRXQAKHITJEN-UHFFFAOYSA-N 1 0 248.282 1.860 10 0 BDAERO COc1ccc(-n2cc(CCC[NH3+])cn2)cc1 ZINC000062986847 175044192 /nfs/dbraw/zinc/04/41/92/175044192.db2.gz WDSSUQQSQJALLZ-UHFFFAOYSA-N 1 0 231.299 1.772 10 0 BDAERO COc1ccc(C(=O)N(CC[NH3+])C(C)C)cc1 ZINC000020183226 175055306 /nfs/dbraw/zinc/05/53/06/175055306.db2.gz GDOJHOYENBAUMR-UHFFFAOYSA-N 1 0 236.315 1.505 10 0 BDAERO COc1ccc(C)cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000052943382 175073217 /nfs/dbraw/zinc/07/32/17/175073217.db2.gz MFVAGBGWIBUDPG-NSHDSACASA-N 1 0 248.326 1.438 10 0 BDAERO COc1ccc(C)cc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000052943373 175073655 /nfs/dbraw/zinc/07/36/55/175073655.db2.gz XKSUXWAFBCGTPU-SNVBAGLBSA-N 1 0 234.299 1.095 10 0 BDAERO COc1ccc(C)cc1C[C@](C)(O)C[NH3+] ZINC000071511691 175077063 /nfs/dbraw/zinc/07/70/63/175077063.db2.gz LGNXBVZWRLXYRD-LBPRGKRZSA-N 1 0 209.289 1.256 10 0 BDAERO COc1ccc(C)cc1N(C)C[C@H](O)CC[NH3+] ZINC000077384011 175077129 /nfs/dbraw/zinc/07/71/29/175077129.db2.gz CDYHICNOSDLTFF-LLVKDONJSA-N 1 0 238.331 1.150 10 0 BDAERO COc1ccc(C)cc1[C@@H](O)[C@@H]1CCC[NH2+]1 ZINC000032013946 175080036 /nfs/dbraw/zinc/08/00/36/175080036.db2.gz ACRXLYJEYFNBLV-WCQYABFASA-N 1 0 221.300 1.789 10 0 BDAERO COc1ccc(C)cc1[C@@H](O)CC[NH+](C)C ZINC000041146487 175080655 /nfs/dbraw/zinc/08/06/55/175080655.db2.gz JVOWBXIDBRLPNR-LBPRGKRZSA-N 1 0 223.316 1.989 10 0 BDAERO COc1ccc(C)cc1[C@H](C)N1CC[NH2+]CC1 ZINC000020264282 175081096 /nfs/dbraw/zinc/08/10/96/175081096.db2.gz WQAKALDIFRVASM-LBPRGKRZSA-N 1 0 234.343 1.970 10 0 BDAERO COc1ccc(C=O)cc1OCCC[NH+](C)C ZINC000011887005 175085826 /nfs/dbraw/zinc/08/58/26/175085826.db2.gz WYEZDNRGZATIQV-UHFFFAOYSA-N 1 0 237.299 1.838 10 0 BDAERO COc1ccc(CCN(C)C(=O)CC[NH3+])cc1 ZINC000041271001 175089407 /nfs/dbraw/zinc/08/94/07/175089407.db2.gz WMZWBYCTMQKNLH-UHFFFAOYSA-N 1 0 236.315 1.045 10 0 BDAERO COc1ccc(CC[NH2+][C@H](C)CO)cc1Cl ZINC000098126733 175092408 /nfs/dbraw/zinc/09/24/08/175092408.db2.gz ZSYYLDFZYFUVPP-SECBINFHSA-N 1 0 243.734 1.862 10 0 BDAERO COc1ccc(CCSCC[NH3+])cc1 ZINC000037035521 175092453 /nfs/dbraw/zinc/09/24/53/175092453.db2.gz LIHULGSCCZSBNM-UHFFFAOYSA-N 1 0 211.330 1.930 10 0 BDAERO COc1ccc(C[NH3+])cc1CO[C@@H]1CCOC1 ZINC000104102773 175097439 /nfs/dbraw/zinc/09/74/39/175097439.db2.gz ZZNWFOIRMRMBEB-GFCCVEGCSA-N 1 0 237.299 1.459 10 0 BDAERO COc1ccc(CO[C@H]2C[NH2+]CCO2)cc1 ZINC000033610073 175114101 /nfs/dbraw/zinc/11/41/01/175114101.db2.gz DKATYPREMZBVTG-LBPRGKRZSA-N 1 0 223.272 1.158 10 0 BDAERO COc1ccc(C[C@@H](C)[NH2+]CCC(N)=O)cc1 ZINC000036746742 175115663 /nfs/dbraw/zinc/11/56/63/175115663.db2.gz UMRMPMVUMRLYPQ-SNVBAGLBSA-N 1 0 236.315 1.091 10 0 BDAERO COc1ccc(C[C@@H]([NH3+])Cc2cnn(C)c2)cc1 ZINC000050543027 175115783 /nfs/dbraw/zinc/11/57/83/175115783.db2.gz VXRULQABFBUMTE-CYBMUJFWSA-N 1 0 245.326 1.541 10 0 BDAERO COc1ccc(C[C@H]([NH3+])CN(C)C)cc1OC ZINC000071548922 175117383 /nfs/dbraw/zinc/11/73/83/175117383.db2.gz AZHCJWMTDVCRHO-NSHDSACASA-N 1 0 238.331 1.135 10 0 BDAERO COc1ccc(Cl)cc1[C@@H](N)C[NH3+] ZINC000044473312 175122147 /nfs/dbraw/zinc/12/21/47/175122147.db2.gz WHTIQRCJFKJJST-QMMMGPOBSA-N 1 0 200.669 1.307 10 0 BDAERO COc1ccc(F)cc1[C@@](O)(C[NH3+])C(C)C ZINC000082352056 175133313 /nfs/dbraw/zinc/13/33/13/175133313.db2.gz WSAQVDSYZZLZJG-GFCCVEGCSA-N 1 0 227.279 1.637 10 0 BDAERO COc1ccc(N)cc1NC(=O)[C@@H](C)[NH+](C)C ZINC000022166766 175138339 /nfs/dbraw/zinc/13/83/39/175138339.db2.gz QHVDMOAZWXSVFS-MRVPVSSYSA-N 1 0 237.303 1.166 10 0 BDAERO COc1ccc(N)cc1OCC[NH+]1CCCC1 ZINC000090548151 175138811 /nfs/dbraw/zinc/13/88/11/175138811.db2.gz DLRAIFHTDJIUBY-UHFFFAOYSA-N 1 0 236.315 1.752 10 0 BDAERO COc1ccc(NC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000054239486 175151655 /nfs/dbraw/zinc/15/16/55/175151655.db2.gz ILBHYZDZZYQDKD-LLVKDONJSA-N 1 0 235.331 1.844 10 0 BDAERO COc1ccc(N[C@H]2CC[N@H+](C)C2)cc1F ZINC000061984965 175155381 /nfs/dbraw/zinc/15/53/81/175155381.db2.gz NLVHQAXLBSBLHQ-JTQLQIEISA-N 1 0 224.279 1.950 10 0 BDAERO COc1ccc(OC)c(C[C@@H]2CC[NH2+]C2)c1 ZINC000057951959 175166109 /nfs/dbraw/zinc/16/61/09/175166109.db2.gz LEOZLSSGEHXPGZ-JTQLQIEISA-N 1 0 221.300 1.856 10 0 BDAERO COc1ccc(OC)c(CSCC[NH3+])c1 ZINC000037035820 175166357 /nfs/dbraw/zinc/16/63/57/175166357.db2.gz PXVSYUYRTVRVJZ-UHFFFAOYSA-N 1 0 227.329 1.896 10 0 BDAERO COc1ccc(OC)c(OC)c1C[C@H](C)[NH3+] ZINC000002015687 175166866 /nfs/dbraw/zinc/16/68/66/175166866.db2.gz OASZJWLOOFXASO-QMMMGPOBSA-N 1 0 225.288 1.602 10 0 BDAERO COc1ccc(OC)c([C@@H]([NH3+])[C@@H]2CCCO2)c1 ZINC000019967582 175167880 /nfs/dbraw/zinc/16/78/80/175167880.db2.gz KUWYBDHSXZYAGG-QWHCGFSZSA-N 1 0 237.299 1.883 10 0 BDAERO COc1ccc(OC)c([C@@H](O)C[NH2+]C2CC2)c1 ZINC000033465985 175167919 /nfs/dbraw/zinc/16/79/19/175167919.db2.gz YPQGMGMNYPKVBU-LBPRGKRZSA-N 1 0 237.299 1.489 10 0 BDAERO COc1ccc(OC)c([C@H]2C[NH2+]C[C@H](C)O2)c1 ZINC000033466022 175168981 /nfs/dbraw/zinc/16/89/81/175168981.db2.gz XMFRDGPHYIGFIM-TVQRCGJNSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc(OCC[NH2+]CCN(C)C)cc1 ZINC000041280561 175172414 /nfs/dbraw/zinc/17/24/14/175172414.db2.gz AYLSGCJUJYCGLX-UHFFFAOYSA-N 1 0 238.331 1.225 10 0 BDAERO COc1ccc([C@@H](C[NH3+])n2cccn2)cc1 ZINC000042962187 175178332 /nfs/dbraw/zinc/17/83/32/175178332.db2.gz GNVURQJCTZYXGJ-GFCCVEGCSA-N 1 0 217.272 1.440 10 0 BDAERO COc1ccc([C@@H](O)C[NH3+])cc1Br ZINC000038052377 175180662 /nfs/dbraw/zinc/18/06/62/175180662.db2.gz DSPVTQMNOXVFNJ-QMMMGPOBSA-N 1 0 246.104 1.450 10 0 BDAERO COc1ccc([C@@H]2C[NH2+][C@@H](C)CO2)cc1 ZINC000032011700 175184934 /nfs/dbraw/zinc/18/49/34/175184934.db2.gz CFKIYIHDMWNNLB-CABZTGNLSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@@H]2NC(=O)CC[C@H]2[NH3+])cc1C ZINC000076680846 175185020 /nfs/dbraw/zinc/18/50/20/175185020.db2.gz MJSCBDCGFNYALB-MFKMUULPSA-N 1 0 234.299 1.282 10 0 BDAERO COc1ccc([C@@H]2[NH2+]CC[C@H]2CO)cc1 ZINC000049587286 175185179 /nfs/dbraw/zinc/18/51/79/175185179.db2.gz MMRCYRSNAOYMIJ-JQWIXIFHSA-N 1 0 207.273 1.338 10 0 BDAERO COc1ccc([C@@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000037446541 175186084 /nfs/dbraw/zinc/18/60/84/175186084.db2.gz DCPPCFLWEAVUBJ-CYBMUJFWSA-N 1 0 236.315 1.394 10 0 BDAERO COc1ccc([C@H](C)[NH2+]C2COC2)cc1OC ZINC000113255991 175188564 /nfs/dbraw/zinc/18/85/64/175188564.db2.gz DDGNCXVPDCVTKW-VIFPVBQESA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@H]([NH3+])CCCC(N)=O)cc1F ZINC000037637015 175191599 /nfs/dbraw/zinc/19/15/99/175191599.db2.gz PZLLIQNUIDHSJP-SNVBAGLBSA-N 1 0 240.278 1.490 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H]2CCCO2)c(OC)c1 ZINC000019967711 175191686 /nfs/dbraw/zinc/19/16/86/175191686.db2.gz WVOGKEXYPGBNDE-AAEUAGOBSA-N 1 0 237.299 1.883 10 0 BDAERO COc1ccc([C@H]([NH3+])Cn2ccnc2)cc1OC ZINC000038808826 175191902 /nfs/dbraw/zinc/19/19/02/175191902.db2.gz ZUJRGIHNKYQOKY-LLVKDONJSA-N 1 0 247.298 1.600 10 0 BDAERO COc1ccc([C@H]([NH3+])Cn2cccn2)c(OC)c1 ZINC000023068371 175192072 /nfs/dbraw/zinc/19/20/72/175192072.db2.gz WGIOFXJXQCVTHZ-GFCCVEGCSA-N 1 0 247.298 1.600 10 0 BDAERO COc1ccc([C@H]2CC[NH2+]C2)c(OC)c1 ZINC000019785227 175196107 /nfs/dbraw/zinc/19/61/07/175196107.db2.gz PUBGSDVLCDCFCI-VIFPVBQESA-N 1 0 207.273 1.781 10 0 BDAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC(N)=O ZINC000019406382 175207444 /nfs/dbraw/zinc/20/74/44/175207444.db2.gz MGEATKCMLGEQGT-GFCCVEGCSA-N 1 0 234.299 1.148 10 0 BDAERO COc1ccc2c(c1)O[C@]1(CC[NH2+]C1)CC2 ZINC000036142031 175213836 /nfs/dbraw/zinc/21/38/36/175213836.db2.gz QBFMPDNLJNKWPP-ZDUSSCGKSA-N 1 0 219.284 1.752 10 0 BDAERO COc1ccc2c(c1)[C@@]1(CC[N@H+](C)C1)C(=O)N2 ZINC000014441463 175215006 /nfs/dbraw/zinc/21/50/06/175215006.db2.gz RVOLLKGLJIUGLG-ZDUSSCGKSA-N 1 0 232.283 1.221 10 0 BDAERO COc1ccc2c(ccn2C[C@H](C)[NH3+])c1 ZINC000013764781 175223185 /nfs/dbraw/zinc/22/31/85/175223185.db2.gz PGZNJNNSWDHHNR-VIFPVBQESA-N 1 0 204.273 1.997 10 0 BDAERO COc1ccc2cc([C@H](N)C[NH3+])ccc2c1 ZINC000035677051 175225488 /nfs/dbraw/zinc/22/54/88/175225488.db2.gz HVXKEWXXBSBKSX-CYBMUJFWSA-N 1 0 216.284 1.807 10 0 BDAERO COc1ccc2ccccc2c1[C@H](O)C[NH3+] ZINC000037115653 175226628 /nfs/dbraw/zinc/22/66/28/175226628.db2.gz QWSPPDURIQBKGD-LLVKDONJSA-N 1 0 217.268 1.841 10 0 BDAERO COc1ccc2oc(C[C@H]3COCC[NH2+]3)nc2c1 ZINC000076167721 175230668 /nfs/dbraw/zinc/23/06/68/175230668.db2.gz CYZHPHOJQSEXMX-VIFPVBQESA-N 1 0 248.282 1.367 10 0 BDAERO COc1cccc(-c2nc(C[NH3+])c[nH]2)c1 ZINC000062820813 175236055 /nfs/dbraw/zinc/23/60/55/175236055.db2.gz YZYJQRUCEDQLFW-UHFFFAOYSA-N 1 0 203.245 1.544 10 0 BDAERO COc1cccc(C(=O)N(C)[C@@H](C)CC[NH3+])c1 ZINC000063085639 175242818 /nfs/dbraw/zinc/24/28/18/175242818.db2.gz NGPPBZGTWGHKFW-JTQLQIEISA-N 1 0 236.315 1.505 10 0 BDAERO COc1cccc(C2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000104109547 175248803 /nfs/dbraw/zinc/24/88/03/175248803.db2.gz ZZRIBWXZOSEVED-ONXXMXGDSA-N 1 0 233.311 1.797 10 0 BDAERO COc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)n1 ZINC000089169472 175265806 /nfs/dbraw/zinc/26/58/06/175265806.db2.gz NXCROAIRWVOLJT-ZYHUDNBSSA-N 1 0 236.315 1.341 10 0 BDAERO COc1cccc(C[C@@H]([NH3+])c2cnn(C)c2)c1 ZINC000034957642 175271225 /nfs/dbraw/zinc/27/12/25/175271225.db2.gz TUVLMVGTCAEJDH-CYBMUJFWSA-N 1 0 231.299 1.671 10 0 BDAERO COc1cccc(C[C@@H]2C[NH2+]CCC2=O)c1 ZINC000071521248 175271306 /nfs/dbraw/zinc/27/13/06/175271306.db2.gz ARTDKQSMZASMSY-LLVKDONJSA-N 1 0 219.284 1.416 10 0 BDAERO COc1cccc(C[C@@H]([NH3+])CN(C)C)c1 ZINC000071511246 175271569 /nfs/dbraw/zinc/27/15/69/175271569.db2.gz XVKKTQMMAWSPJH-LLVKDONJSA-N 1 0 208.305 1.127 10 0 BDAERO COc1cccc(N2CC[NH2+][C@H](C)CC2)c1 ZINC000049661761 175275354 /nfs/dbraw/zinc/27/53/54/175275354.db2.gz FJRGXWNQPHCUTI-LLVKDONJSA-N 1 0 220.316 1.883 10 0 BDAERO COc1cccc(OC[C@](C)(C[NH3+])N(C)C)c1 ZINC000019667445 175284177 /nfs/dbraw/zinc/28/41/77/175284177.db2.gz CJWKJSIYCHAQTD-ZDUSSCGKSA-N 1 0 238.331 1.353 10 0 BDAERO COc1cccc(OC[C@@H](C)C[NH3+])c1OC ZINC000041245779 175284261 /nfs/dbraw/zinc/28/42/61/175284261.db2.gz LQUWWWIMTHTGSA-VIFPVBQESA-N 1 0 225.288 1.677 10 0 BDAERO COc1cccc([C@@H](O)[C@H]2CCC[NH2+]2)c1 ZINC000041215812 175289562 /nfs/dbraw/zinc/28/95/62/175289562.db2.gz KORIPTOVWUHPED-VXGBXAGGSA-N 1 0 207.273 1.481 10 0 BDAERO COc1cccc([C@@H](O)[C@H]2CCC[NH2+]C2)c1 ZINC000041237663 175289885 /nfs/dbraw/zinc/28/98/85/175289885.db2.gz XTLARVBEZDSNIR-WCQYABFASA-N 1 0 221.300 1.728 10 0 BDAERO COc1cccc([C@H]([NH3+])c2cnn(C)c2)c1 ZINC000026514497 175295213 /nfs/dbraw/zinc/29/52/13/175295213.db2.gz CUBSCZOWTCOPTF-LBPRGKRZSA-N 1 0 217.272 1.477 10 0 BDAERO COc1cccc([C@H]2C[NH2+]CCOC2)c1 ZINC000071510368 175296014 /nfs/dbraw/zinc/29/60/14/175296014.db2.gz OVOBCKOQQGBCST-NSHDSACASA-N 1 0 207.273 1.399 10 0 BDAERO COc1cccc([C@H]2C[NH2+]C[C@H](C)O2)c1 ZINC000032011711 175296098 /nfs/dbraw/zinc/29/60/98/175296098.db2.gz PFPCQMFBAXRDGB-JOYOIKCWSA-N 1 0 207.273 1.745 10 0 BDAERO COc1cccc([C@H]2[C@@H]([NH3+])CCN2C2CC2)c1 ZINC000070299718 175296875 /nfs/dbraw/zinc/29/68/75/175296875.db2.gz LNCNFGRZOJOWPW-KBPBESRZSA-N 1 0 232.327 1.932 10 0 BDAERO COc1cccc2c1CCC[C@@H]([NH3+])[C@H]2O ZINC000008699464 175301629 /nfs/dbraw/zinc/30/16/29/175301629.db2.gz KOADUGGYCOIATC-PWSUYJOCSA-N 1 0 207.273 1.392 10 0 BDAERO COc1cccc2c1[C@@H](O)[C@@H]([NH3+])CCC2 ZINC000019795518 175305334 /nfs/dbraw/zinc/30/53/34/175305334.db2.gz CWKINACSCKGYJT-CABZTGNLSA-N 1 0 207.273 1.392 10 0 BDAERO COc1cccc2ccc(CC[NH3+])nc21 ZINC000062568900 175307705 /nfs/dbraw/zinc/30/77/05/175307705.db2.gz VPLPVGYPRDDMPX-UHFFFAOYSA-N 1 0 202.257 1.745 10 0 BDAERO COc1ccccc1-c1[nH+]c(C)n(C)c1N ZINC000104912108 175310784 /nfs/dbraw/zinc/31/07/84/175310784.db2.gz VCCQZINOGZHLPU-UHFFFAOYSA-N 1 0 217.272 1.986 10 0 BDAERO COc1ccccc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038049319 175319233 /nfs/dbraw/zinc/31/92/33/175319233.db2.gz OJSBKXGLPZYVNQ-NEPJUHHUSA-N 1 0 248.326 1.695 10 0 BDAERO COc1ccccc1CC(=O)C[NH2+]C(C)C ZINC000077016649 175320444 /nfs/dbraw/zinc/32/04/44/175320444.db2.gz MLTRJNOPZBYLGC-UHFFFAOYSA-N 1 0 221.300 1.805 10 0 BDAERO COc1ccccc1CCN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000071563475 175322663 /nfs/dbraw/zinc/32/26/63/175322663.db2.gz OKGSJNVQCVLCIB-OLZOCXBDSA-N 1 0 248.370 1.920 10 0 BDAERO COc1ccccc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000128039971 175327381 /nfs/dbraw/zinc/32/73/81/175327381.db2.gz GXFSCFMFESBQIT-LBPRGKRZSA-N 1 0 235.327 1.900 10 0 BDAERO COc1ccccc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000211924880 175328582 /nfs/dbraw/zinc/32/85/82/175328582.db2.gz IOWYFLUPYUHFAP-RYUDHWBXSA-N 1 0 218.300 1.241 10 0 BDAERO COc1ccccc1C[C@@H]1CSC[C@H]1[NH3+] ZINC000098095199 175332459 /nfs/dbraw/zinc/33/24/59/175332459.db2.gz FNHDYOUXOKQVAB-GHMZBOCLSA-N 1 0 223.341 1.928 10 0 BDAERO COc1ccccc1C[C@H]1CSC[C@H]1[NH3+] ZINC000098095200 175333947 /nfs/dbraw/zinc/33/39/47/175333947.db2.gz FNHDYOUXOKQVAB-WDEREUQCSA-N 1 0 223.341 1.928 10 0 BDAERO COc1ccccc1[C@@H]1C[NH2+][C@H](C)CO1 ZINC000032011694 175348965 /nfs/dbraw/zinc/34/89/65/175348965.db2.gz FBMBRIKDHJYOTL-SKDRFNHKSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccccc1[C@@]1(O)CCC[NH2+]C1 ZINC000071510472 175350426 /nfs/dbraw/zinc/35/04/26/175350426.db2.gz IWJQKJKFOMRXNC-GFCCVEGCSA-N 1 0 207.273 1.266 10 0 BDAERO COc1ccccc1[C@H]([NH2+]CC(C)C)C(N)=O ZINC000037946170 175353203 /nfs/dbraw/zinc/35/32/03/175353203.db2.gz NUMRIJLKDCTJKT-LBPRGKRZSA-N 1 0 236.315 1.467 10 0 BDAERO COc1ccccc1[C@H]([C@H](C)[NH3+])N(C)CCO ZINC000043097747 175354388 /nfs/dbraw/zinc/35/43/88/175354388.db2.gz LROPVRZTWDFDTL-GWCFXTLKSA-N 1 0 238.331 1.008 10 0 BDAERO COc1ccccc1[C@]1(O)CCC[NH2+]C1 ZINC000071510471 175356472 /nfs/dbraw/zinc/35/64/72/175356472.db2.gz IWJQKJKFOMRXNC-LBPRGKRZSA-N 1 0 207.273 1.266 10 0 BDAERO COc1cncc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000290080701 175385293 /nfs/dbraw/zinc/38/52/93/175385293.db2.gz WQIHZPBOPQOZES-GWCFXTLKSA-N 1 0 236.315 1.747 10 0 BDAERO COc1cncc(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000292141223 175385775 /nfs/dbraw/zinc/38/57/75/175385775.db2.gz JGQCTDNCWXNUNK-BXKDBHETSA-N 1 0 222.288 1.357 10 0 BDAERO COc1c[nH+]cc(OC2CC2)c1N(C)C ZINC000095731142 175386550 /nfs/dbraw/zinc/38/65/50/175386550.db2.gz HFGWKPYSHUIGAY-UHFFFAOYSA-N 1 0 208.261 1.697 10 0 BDAERO COc1nc2c(ccnc2CC[NH3+])s1 ZINC000082376107 175396986 /nfs/dbraw/zinc/39/69/86/175396986.db2.gz GTBDEACVBVWYLT-UHFFFAOYSA-N 1 0 209.274 1.201 10 0 BDAERO C[C@@H](CC[NH3+])C(=O)Nc1ccc(F)cc1 ZINC000076584867 175672616 /nfs/dbraw/zinc/67/26/16/175672616.db2.gz IPMVFJNFOGLVOG-QMMMGPOBSA-N 1 0 210.252 1.749 10 0 BDAERO C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1cccc(O)c1 ZINC000054338233 175706392 /nfs/dbraw/zinc/70/63/92/175706392.db2.gz ACIYZAIHFZJCPN-DTWKUNHWSA-N 1 0 222.288 1.164 10 0 BDAERO C[C@@H](C[NH2+]C(C)(C)C)n1nnc(-c2ccco2)n1 ZINC000053538781 175730762 /nfs/dbraw/zinc/73/07/62/175730762.db2.gz OBFHSABOLLEYAZ-VIFPVBQESA-N 1 0 249.318 1.882 10 0 BDAERO C[C@@H](CO)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000166830065 175744932 /nfs/dbraw/zinc/74/49/32/175744932.db2.gz DXXLVRPZBLLHDW-RKDXNWHRSA-N 1 0 212.268 1.500 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1ccc(-c2nnco2)cc1 ZINC000040828869 175798776 /nfs/dbraw/zinc/79/87/76/175798776.db2.gz WIBQYDATLZKDKU-SSDOTTSWSA-N 1 0 232.243 1.022 10 0 BDAERO C[C@@H]([NH3+])Cc1ccoc1Br ZINC000083284632 175807292 /nfs/dbraw/zinc/80/72/92/175807292.db2.gz WPWKWSADJGBUCV-RXMQYKEDSA-N 1 0 204.067 1.932 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000062706012 175812738 /nfs/dbraw/zinc/81/27/38/175812738.db2.gz LXPVHKWAPVXVAA-MOFOKWOHSA-N 1 0 205.179 1.485 10 0 BDAERO C[C@@H]([NH3+])c1cc(F)c2c(c1)CCC(=O)N2 ZINC000058113650 175816211 /nfs/dbraw/zinc/81/62/11/175816211.db2.gz WECITRVXLJMASE-ZCFIWIBFSA-N 1 0 208.236 1.730 10 0 BDAERO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccccc1F ZINC000040922733 175825126 /nfs/dbraw/zinc/82/51/26/175825126.db2.gz YSKOKRQFWSUYHZ-MRVPVSSYSA-N 1 0 224.279 1.740 10 0 BDAERO C[C@@H]([NH2+]C1CCCCC1)C(=O)NC1CC1 ZINC000020307520 175860440 /nfs/dbraw/zinc/86/04/40/175860440.db2.gz PEUUBPGCVBPGDB-SECBINFHSA-N 1 0 210.321 1.576 10 0 BDAERO C[C@@H](O)c1ccc(OCC[NH+](C)C)cc1 ZINC000035626392 175999136 /nfs/dbraw/zinc/99/91/36/175999136.db2.gz IZLQWAGVRFNJAM-SNVBAGLBSA-N 1 0 209.289 1.680 10 0 BDAERO C[C@@H](OC[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000095068493 176003391 /nfs/dbraw/zinc/00/33/91/176003391.db2.gz NHLMXCJEOMBQLK-MNOVXSKESA-N 1 0 206.289 1.911 10 0 BDAERO C[C@@H]([C@H]1CCC[NH2+]C1)N1CCCOC1=O ZINC000043373285 176012038 /nfs/dbraw/zinc/01/20/38/176012038.db2.gz SYMUNMSYHMXRPO-UWVGGRQHSA-N 1 0 212.293 1.217 10 0 BDAERO C[C@@H](c1ccc(Cl)s1)[C@H](O)C[NH3+] ZINC000041214466 176014516 /nfs/dbraw/zinc/01/45/16/176014516.db2.gz DOOGVMZNEVNBMG-PHDIDXHHSA-N 1 0 205.710 1.825 10 0 BDAERO C[C@@H](c1ccc(Cl)cc1)N1C[C@H]([NH3+])CC1=O ZINC000049526766 176014527 /nfs/dbraw/zinc/01/45/27/176014527.db2.gz MWSNELBVEYLQFD-GZMMTYOYSA-N 1 0 238.718 1.961 10 0 BDAERO C[C@@H](c1ccc(C[NH3+])cc1)N1C(=O)CCCC1=O ZINC000037747992 176014534 /nfs/dbraw/zinc/01/45/34/176014534.db2.gz UITKNHFDYSNGIW-JTQLQIEISA-N 1 0 246.310 1.745 10 0 BDAERO C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(N)c1 ZINC000051817062 176017484 /nfs/dbraw/zinc/01/74/84/176017484.db2.gz YUMMZELISCLPGT-ZJUUUORDSA-N 1 0 208.305 1.642 10 0 BDAERO C[C@@H](c1ccccc1)N1C[C@@H](C)O[C@@H](C[NH3+])C1 ZINC000071544614 176022323 /nfs/dbraw/zinc/02/23/23/176022323.db2.gz WHAKGJHNMJFYFK-DYEKYZERSA-N 1 0 234.343 1.796 10 0 BDAERO C[C@@H](c1cnccn1)N(C)C[C@@H]1CCC[NH2+]1 ZINC000095068216 176036246 /nfs/dbraw/zinc/03/62/46/176036246.db2.gz AZOAFNBRGXFXCW-QWRGUYRKSA-N 1 0 220.320 1.221 10 0 BDAERO C[C@@H](c1nccs1)N1CCC[C@@H]1C[NH3+] ZINC000095068294 176039085 /nfs/dbraw/zinc/03/90/85/176039085.db2.gz YBAZGHYUPUSWSR-DTWKUNHWSA-N 1 0 211.334 1.627 10 0 BDAERO C[C@@H](c1nccs1)N1CCC[NH2+]CC1 ZINC000083093786 176039302 /nfs/dbraw/zinc/03/93/02/176039302.db2.gz DIEKSRKBQUDTIG-VIFPVBQESA-N 1 0 211.334 1.499 10 0 BDAERO C[C@@H]1CC(=O)N(c2cccc3c2CC[NH2+]C3)C1=O ZINC000038051930 176048999 /nfs/dbraw/zinc/04/89/99/176048999.db2.gz ZRZGFJGSSDYXGX-SECBINFHSA-N 1 0 244.294 1.232 10 0 BDAERO C[C@H]1CC([NH2+]CC(=O)N(C)C)C[C@@H](C)C1 ZINC000082829719 176054973 /nfs/dbraw/zinc/05/49/73/176054973.db2.gz VDHLYJNPDNRPSB-ZACCUICWSA-N 1 0 212.337 1.489 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCC(=O)[O-] ZINC000020376512 176070395 /nfs/dbraw/zinc/07/03/95/176070395.db2.gz AEKAKPNTIFCRBY-LLVKDONJSA-N 1 0 228.336 1.315 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1[C@@H](CN)C1CCOCC1 ZINC000052176487 176074871 /nfs/dbraw/zinc/07/48/71/176074871.db2.gz LNOSIOMCKREOPG-YPMHNXCESA-N 1 0 226.364 1.615 10 0 BDAERO C[C@@H]1CCCC[C@]1(C[NH3+])N1CC[NH+](C)CC1 ZINC000019435309 176090314 /nfs/dbraw/zinc/09/03/14/176090314.db2.gz FAZWFZCWQAGAJL-CHWSQXEVSA-N 1 0 225.380 1.141 10 0 BDAERO C[C@@H]1CCCC[C@]1([NH3+])Cc1cnn(C)c1 ZINC000050541612 176091285 /nfs/dbraw/zinc/09/12/85/176091285.db2.gz MNJNIWNQYBBEBY-PWSUYJOCSA-N 1 0 207.321 1.870 10 0 BDAERO C[C@@H]1CCC[N@@H+](C2(CN)CCOCC2)[C@@H]1C ZINC000050563766 176097148 /nfs/dbraw/zinc/09/71/48/176097148.db2.gz SCWXQIDIULWSHY-VXGBXAGGSA-N 1 0 226.364 1.615 10 0 BDAERO C[C@@H]1CCC[N@@H+]([C@@H](CN)[C@@H]2CCOC2)C1 ZINC000022167819 176103656 /nfs/dbraw/zinc/10/36/56/176103656.db2.gz GYQHFBSIVVMGCE-UTUOFQBUSA-N 1 0 212.337 1.082 10 0 BDAERO C[C@@H]1CCC[C@@H](CN2C(=O)CCCC2=O)[NH2+]1 ZINC000051574945 176117426 /nfs/dbraw/zinc/11/74/26/176117426.db2.gz HXYITTOYGWSOSP-ZJUUUORDSA-N 1 0 224.304 1.056 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)NC2CCCC2)[NH2+]1 ZINC000019470192 176135647 /nfs/dbraw/zinc/13/56/47/176135647.db2.gz OOFBZCDPSSPNRC-MWLCHTKSSA-N 1 0 210.321 1.576 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@H]2CCCC[NH2+]2)C1 ZINC000040725100 176156598 /nfs/dbraw/zinc/15/65/98/176156598.db2.gz WPYNFOPKQOSATA-GHMZBOCLSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1CCN(C(=O)NC2CCCC2)[C@@H](C[NH3+])C1 ZINC000235337062 176158067 /nfs/dbraw/zinc/15/80/67/176158067.db2.gz ADRIZVKPNIJPDE-ZYHUDNBSSA-N 1 0 239.363 1.698 10 0 BDAERO C[C@@H]1CCN(CCc2ccco2)CC[NH2+]1 ZINC000049662439 176170951 /nfs/dbraw/zinc/17/09/51/176170951.db2.gz BIZPSOOGBZZQPS-LLVKDONJSA-N 1 0 208.305 1.506 10 0 BDAERO C[C@@H]1CCN(C[C@@H]2CCCCO2)CC[NH2+]1 ZINC000042824602 176172956 /nfs/dbraw/zinc/17/29/56/176172956.db2.gz GCVBOBJFPXBRKA-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]CCC(N)=O)cc1F ZINC000087284263 487633083 /nfs/dbraw/zinc/63/30/83/487633083.db2.gz YPYKEVCKYGYVRV-VIFPVBQESA-N 1 0 224.279 1.660 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]21 ZINC000095643253 176187403 /nfs/dbraw/zinc/18/74/03/176187403.db2.gz NNGQHFTWMLQAJL-GMTAPVOTSA-N 1 0 240.347 1.994 10 0 BDAERO C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCn1ccnc1 ZINC000042427521 176202609 /nfs/dbraw/zinc/20/26/09/176202609.db2.gz NSKIDNQVPWKJAO-OLZOCXBDSA-N 1 0 236.363 1.332 10 0 BDAERO C[C@@H]1CC[C@@H](O)[C@H](C[N@@H+]2CCOC(C)(C)C2)C1 ZINC000053883928 176215112 /nfs/dbraw/zinc/21/51/12/176215112.db2.gz MQBULEYDDPJSQT-FRRDWIJNSA-N 1 0 241.375 1.894 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N(C)C2CCCC2)C[NH2+]1 ZINC000037092990 176219053 /nfs/dbraw/zinc/21/90/53/176219053.db2.gz ZYDKALNJBWZMGC-MNOVXSKESA-N 1 0 224.348 1.776 10 0 BDAERO C[C@@H]1CC[C@H]([NH3+])CN1CCOc1ccccc1 ZINC000044421607 176229539 /nfs/dbraw/zinc/22/95/39/176229539.db2.gz DJNIPRUKTSRZSI-OLZOCXBDSA-N 1 0 234.343 1.877 10 0 BDAERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc(=O)n(C)c1 ZINC000037785800 176279871 /nfs/dbraw/zinc/27/98/71/176279871.db2.gz MZZDSQHTBKAGKW-NQBHXWOUSA-N 1 0 249.358 1.526 10 0 BDAERO C[C@@H]1C[N@H+](CCCCCO)C[C@@H]1N(C)C ZINC000124734721 176288690 /nfs/dbraw/zinc/28/86/90/176288690.db2.gz XCORMSGBEGYOGU-NEPJUHHUSA-N 1 0 214.353 1.031 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@@H]1O ZINC000347011651 176298573 /nfs/dbraw/zinc/29/85/73/176298573.db2.gz RQGWNKCKPCBIGL-OSMZGAPFSA-N 1 0 217.312 1.639 10 0 BDAERO C[C@@H]1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)CCO1 ZINC000020072085 176299621 /nfs/dbraw/zinc/29/96/21/176299621.db2.gz QBVRWYUYAZOPTM-DOMZBBRYSA-N 1 0 246.354 1.422 10 0 BDAERO C[C@@H]1CN(C[C@](C)([NH3+])c2ccccc2)CCCO1 ZINC000061934611 176301966 /nfs/dbraw/zinc/30/19/66/176301966.db2.gz OZVYKRKNOXMUFZ-HIFRSBDPSA-N 1 0 248.370 1.971 10 0 BDAERO C[C@@H]1CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000071543970 176305113 /nfs/dbraw/zinc/30/51/13/176305113.db2.gz LJBBDTQOVZCCCR-SNVBAGLBSA-N 1 0 234.299 1.209 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NN ZINC000073654405 176305882 /nfs/dbraw/zinc/30/58/82/176305882.db2.gz SNIQLTUPSBHYQG-YPMHNXCESA-N 1 0 219.332 1.360 10 0 BDAERO C[C@@H]1CN(Cc2occc2C[NH3+])C[C@@H](C)O1 ZINC000052380427 176312994 /nfs/dbraw/zinc/31/29/94/176312994.db2.gz OEVKWIDXDPUXNO-NXEZZACHSA-N 1 0 224.304 1.348 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccsc2)C[C@@H](C)O1 ZINC000022175795 176315041 /nfs/dbraw/zinc/31/50/41/176315041.db2.gz OIZROHIXXFKAAD-FOGDFJRCSA-N 1 0 240.372 1.857 10 0 BDAERO C[C@@H]1CN([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022355 176316010 /nfs/dbraw/zinc/31/60/10/176316010.db2.gz CZJPPZJOUWYETJ-YPMHNXCESA-N 1 0 247.342 1.774 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccn2)C[C@@H](C)O1 ZINC000019270398 176316072 /nfs/dbraw/zinc/31/60/72/176316072.db2.gz VXQUIECHDYILLK-WZRBSPASSA-N 1 0 235.331 1.191 10 0 BDAERO C[C@@H]1CN(c2cncc(Cl)n2)C[C@@H]1[NH+](C)C ZINC000123990067 176319999 /nfs/dbraw/zinc/31/99/99/176319999.db2.gz DAHCCFFANGPCMM-BDAKNGLRSA-N 1 0 240.738 1.516 10 0 BDAERO C[C@@H]1CN2C(=O)c3ccccc3C[C@@H]2C[NH2+]1 ZINC000096906798 176322504 /nfs/dbraw/zinc/32/25/04/176322504.db2.gz AELIJLHYRIRWPT-MWLCHTKSSA-N 1 0 216.284 1.045 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccn1C ZINC000113230253 176322557 /nfs/dbraw/zinc/32/25/57/176322557.db2.gz GIHPHRXJKFYBIB-VXGBXAGGSA-N 1 0 247.342 1.334 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCF ZINC000308882756 176323271 /nfs/dbraw/zinc/32/32/71/176323271.db2.gz DPKWLLBZTOQSMG-VXGBXAGGSA-N 1 0 214.328 1.905 10 0 BDAERO C[C@@H]1C[NH2+]C(C)(C)CN1Cc1cccnc1 ZINC000041233445 176324399 /nfs/dbraw/zinc/32/43/99/176324399.db2.gz MGMZBABSQPUKGA-LLVKDONJSA-N 1 0 219.332 1.654 10 0 BDAERO C[C@@H]1C[NH2+]CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000061675037 176325448 /nfs/dbraw/zinc/32/54/48/176325448.db2.gz GTUTWMINMOXCIY-LLVKDONJSA-N 1 0 248.326 1.457 10 0 BDAERO C[C@@H]1C[NH2+]CCN(Cc2cccnc2)C1 ZINC000049662131 176325811 /nfs/dbraw/zinc/32/58/11/176325811.db2.gz ALRCTSWTWKFFEL-LLVKDONJSA-N 1 0 205.305 1.123 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCC1=CCCCC1 ZINC000104207767 176328882 /nfs/dbraw/zinc/32/88/82/176328882.db2.gz CHBFJYAGSHLOEO-YPMHNXCESA-N 1 0 236.359 1.849 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](CCc2ccccc2)O1 ZINC000071478870 176329238 /nfs/dbraw/zinc/32/92/38/176329238.db2.gz VVJFPDWCAJDRJH-DGCLKSJQSA-N 1 0 205.301 1.996 10 0 BDAERO C[C@@H]1COCCN1CC1(C[NH3+])CCCC1 ZINC000051216757 176335328 /nfs/dbraw/zinc/33/53/28/176335328.db2.gz NKYKNCYQTVCQQP-LLVKDONJSA-N 1 0 212.337 1.226 10 0 BDAERO C[C@@H]1COCCN1[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000035775574 176337878 /nfs/dbraw/zinc/33/78/78/176337878.db2.gz YRAOCEDGRHTYSA-HONMWMINSA-N 1 0 232.327 1.332 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000300840981 176341348 /nfs/dbraw/zinc/34/13/48/176341348.db2.gz JPQKNAUMTOJDOM-RHYQMDGZSA-N 1 0 213.321 1.162 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1O ZINC000300840982 176341658 /nfs/dbraw/zinc/34/16/58/176341658.db2.gz JPQKNAUMTOJDOM-WISYIIOYSA-N 1 0 213.321 1.162 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2c(F)cc(F)cc2[C@H]1[NH3+] ZINC000035755819 176348758 /nfs/dbraw/zinc/34/87/58/176348758.db2.gz GNGSZNGEMIZZSA-ANLVUFKYSA-N 1 0 247.266 1.388 10 0 BDAERO C[C@@H]1CSC(NCCc2ccco2)=[NH+]1 ZINC000042592163 176348867 /nfs/dbraw/zinc/34/88/67/176348867.db2.gz KIJYYPRHWDZWKJ-MRVPVSSYSA-N 1 0 210.302 1.903 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2ccc(Cl)cc2[C@@H]1[NH3+] ZINC000035755643 176349023 /nfs/dbraw/zinc/34/90/23/176349023.db2.gz LRRJGTKKVAMGAP-LHLIQPBNSA-N 1 0 245.731 1.763 10 0 BDAERO C[C@@H]1CSC(NC[C@H]2CCCCO2)=[NH+]1 ZINC000042823929 176349215 /nfs/dbraw/zinc/34/92/15/176349215.db2.gz WJGPWUXETQCNPS-RKDXNWHRSA-N 1 0 214.334 1.636 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCn2ncnc21 ZINC000336781867 176354586 /nfs/dbraw/zinc/35/45/86/176354586.db2.gz VZIWXUMHWZJUIX-UTLUCORTSA-N 1 0 238.360 1.454 10 0 BDAERO C[C@@H]1C[C@@H](C)CN(C(=O)CSCC[NH3+])C1 ZINC000037035940 176360096 /nfs/dbraw/zinc/36/00/96/176360096.db2.gz OUDVSDISMCMNAW-NXEZZACHSA-N 1 0 230.377 1.183 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])c2cccc(F)c2S1(=O)=O ZINC000035752311 176416598 /nfs/dbraw/zinc/41/65/98/176416598.db2.gz VOZOPIAYMDZRKZ-MUWHJKNJSA-N 1 0 229.276 1.391 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000282232027 176455077 /nfs/dbraw/zinc/45/50/77/176455077.db2.gz FOPWVBQKIJOGSJ-CABZTGNLSA-N 1 0 236.290 1.582 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000309816888 176455324 /nfs/dbraw/zinc/45/53/24/176455324.db2.gz VKUJPJJQLXQUIQ-DCAQKATOSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccsc1 ZINC000282331591 176456245 /nfs/dbraw/zinc/45/62/45/176456245.db2.gz LPLMBHRYZGWZKD-WCBMZHEXSA-N 1 0 224.329 1.505 10 0 BDAERO C[C@@H]1SC(=[NH2+])N[C@H]1Cc1ccncc1 ZINC000000027428 176488334 /nfs/dbraw/zinc/48/83/34/176488334.db2.gz GBUKXKKZOGKPSD-CBAPKCEASA-N 1 0 207.302 1.443 10 0 BDAERO C[C@H](CC[NH3+])C(=O)N(C)c1ccccc1 ZINC000076583665 176626381 /nfs/dbraw/zinc/62/63/81/176626381.db2.gz XZGFCQSPTPGVQH-SNVBAGLBSA-N 1 0 206.289 1.634 10 0 BDAERO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCC[C@@H]1O ZINC000134637367 176643000 /nfs/dbraw/zinc/64/30/00/176643000.db2.gz SKDIJVQQMVLVFT-UTUOFQBUSA-N 1 0 223.320 1.165 10 0 BDAERO C[C@H](C[NH3+])CN(C)C(=O)c1ccc(F)c(F)c1 ZINC000042455117 176658111 /nfs/dbraw/zinc/65/81/11/176658111.db2.gz XIBQGGPHUBKHIL-MRVPVSSYSA-N 1 0 242.269 1.632 10 0 BDAERO C[C@H](C[NH3+])Nc1cc(F)cc(F)c1F ZINC000082639432 176662215 /nfs/dbraw/zinc/66/22/15/176662215.db2.gz YIBARASJUJEKSP-RXMQYKEDSA-N 1 0 204.195 1.863 10 0 BDAERO C[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000062188630 176724728 /nfs/dbraw/zinc/72/47/28/176724728.db2.gz AFWJMYLXINKNPN-OCCSQVGLSA-N 1 0 246.354 1.876 10 0 BDAERO C[C@H]([NH3+])Cc1ccc(OCCn2cccn2)cc1 ZINC000049326373 176761711 /nfs/dbraw/zinc/76/17/11/176761711.db2.gz FDRPGJXLAPKFDY-LBPRGKRZSA-N 1 0 245.326 1.852 10 0 BDAERO C[C@@H](Oc1ccc2c(c1)OCO2)[C@H](C)[NH3+] ZINC000041054110 176765039 /nfs/dbraw/zinc/76/50/39/176765039.db2.gz BDZRCJLZITUKHV-JGVFFNPUSA-N 1 0 209.245 1.530 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1cccs1)N1CCOCC1 ZINC000021948415 176766546 /nfs/dbraw/zinc/76/65/46/176766546.db2.gz FWKDVYYOWLOQJX-ONGXEEELSA-N 1 0 226.345 1.469 10 0 BDAERO C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000042912634 176771728 /nfs/dbraw/zinc/77/17/28/176771728.db2.gz AFPXLNZVPYQFSN-GXFFZTMASA-N 1 0 238.306 1.546 10 0 BDAERO C[C@H]([NH2+][C@H]1CCc2nccn2C1)C1CCC1 ZINC000309427458 176927799 /nfs/dbraw/zinc/92/77/99/176927799.db2.gz AXTCYQPPMGBIPL-JQWIXIFHSA-N 1 0 219.332 1.976 10 0 BDAERO C[C@H](O)[C@H]([NH3+])c1nc2cc(F)ccc2n1C ZINC000037439285 177014049 /nfs/dbraw/zinc/01/40/49/177014049.db2.gz XYLASCQCHTTWQU-WKEGUHRASA-N 1 0 223.251 1.093 10 0 BDAERO C[C@H](O)c1ccccc1N[C@H]1CCC[NH2+]C1 ZINC000043327630 177018135 /nfs/dbraw/zinc/01/81/35/177018135.db2.gz XLECCKJIXUVMPJ-QWRGUYRKSA-N 1 0 220.316 1.904 10 0 BDAERO C[C@H](O)c1ncc(C[NH2+][C@@H]2C[C@H]2C)s1 ZINC000290530498 177019712 /nfs/dbraw/zinc/01/97/12/177019712.db2.gz YCWJACDCKCOOGX-BKPPORCPSA-N 1 0 212.318 1.694 10 0 BDAERO C[C@H](c1ccc(F)cc1)N1C[C@@H]([NH3+])CC1=O ZINC000049511357 177033787 /nfs/dbraw/zinc/03/37/87/177033787.db2.gz FHPNJEDCXWZTNU-KCJUWKMLSA-N 1 0 222.263 1.446 10 0 BDAERO C[C@H](c1cnn(C)c1)N1CCCC[C@@H]1C[NH3+] ZINC000044540600 177052643 /nfs/dbraw/zinc/05/26/43/177052643.db2.gz LSTXYGZOIYWZSE-ZYHUDNBSSA-N 1 0 222.336 1.294 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C)[NH2+]1 ZINC000019482580 177073235 /nfs/dbraw/zinc/07/32/35/177073235.db2.gz UOYLXUJPVCKPBU-WOPDTQHZSA-N 1 0 224.348 1.918 10 0 BDAERO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000042860285 177079844 /nfs/dbraw/zinc/07/98/44/177079844.db2.gz OPYRBRUTZHWZOE-HBNTYKKESA-N 1 0 238.331 1.160 10 0 BDAERO C[C@H]1CCCC[C@@H]1N(C)c1nccnc1C(N)=[NH2+] ZINC000054380042 177081653 /nfs/dbraw/zinc/08/16/53/177081653.db2.gz WBPFTBJMGGBTQA-UWVGGRQHSA-N 1 0 247.346 1.776 10 0 BDAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000022170839 177083330 /nfs/dbraw/zinc/08/33/30/177083330.db2.gz IXEKZTOWYCTYAP-AXFHLTTASA-N 1 0 231.361 1.342 10 0 BDAERO C[C@H]1CCC[N@@H+]([C@@H](CN)C2CCOCC2)C1 ZINC000052176519 177103938 /nfs/dbraw/zinc/10/39/38/177103938.db2.gz SGWSBGZKRWFSPR-AAEUAGOBSA-N 1 0 226.364 1.472 10 0 BDAERO C[C@H]1CCCN1C(=O)COc1ccccc1C[NH3+] ZINC000037909672 177106496 /nfs/dbraw/zinc/10/64/96/177106496.db2.gz SNRROTZMKIYQHF-NSHDSACASA-N 1 0 248.326 1.535 10 0 BDAERO C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037911987 177107364 /nfs/dbraw/zinc/10/73/64/177107364.db2.gz UDRKTCSVXBPXGU-CYDGBPFRSA-N 1 0 236.359 1.918 10 0 BDAERO C[C@H]1CCC[C@@](C[NH3+])(N2CCn3ccnc3C2)C1 ZINC000062249335 177127891 /nfs/dbraw/zinc/12/78/91/177127891.db2.gz RCGZZURRNKIRLK-GXTWGEPZSA-N 1 0 248.374 1.606 10 0 BDAERO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019899793 177130313 /nfs/dbraw/zinc/13/03/13/177130313.db2.gz IJORPTASVOWSRJ-GARJFASQSA-N 1 0 245.388 1.588 10 0 BDAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)c2ccccn2)C1 ZINC000104325857 177143365 /nfs/dbraw/zinc/14/33/65/177143365.db2.gz HZGANNWNYWAAMW-FZMZJTMJSA-N 1 0 247.342 1.719 10 0 BDAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)[C@@H]2CCOC2)C1 ZINC000104325838 177143850 /nfs/dbraw/zinc/14/38/50/177143850.db2.gz LIXUUCUKGPKNBJ-LOWVWBTDSA-N 1 0 240.347 1.047 10 0 BDAERO C[C@H]1CCN(C(=O)CC2CC2)[C@H](C[NH3+])C1 ZINC000235649946 177146311 /nfs/dbraw/zinc/14/63/11/177146311.db2.gz RPYFTCOOJYVATJ-ONGXEEELSA-N 1 0 210.321 1.372 10 0 BDAERO C[C@H]1CCN(C(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000040725098 177147892 /nfs/dbraw/zinc/14/78/92/177147892.db2.gz WPYNFOPKQOSATA-QWRGUYRKSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@H]1CCN(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000334970396 177149281 /nfs/dbraw/zinc/14/92/81/177149281.db2.gz XQXMRPFFKHCRAM-WDEREUQCSA-N 1 0 239.363 1.507 10 0 BDAERO C[C@H]1CC[N@H+](C[C@@H]2CCCOC2)CCN1 ZINC000044982850 177162202 /nfs/dbraw/zinc/16/22/02/177162202.db2.gz CQSSERRTPFLLFH-RYUDHWBXSA-N 1 0 212.337 1.097 10 0 BDAERO C[C@H]1CCN(Cc2cccnc2)[C@@H](C[NH3+])C1 ZINC000235674371 177164870 /nfs/dbraw/zinc/16/48/70/177164870.db2.gz WDPTYYMRGLFVFQ-WCQYABFASA-N 1 0 219.332 1.641 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)CCN(Cc2ccccn2)C1 ZINC000049666523 177165651 /nfs/dbraw/zinc/16/56/51/177165651.db2.gz OQNQGLLPACLELF-OLZOCXBDSA-N 1 0 233.359 1.902 10 0 BDAERO C[C@H]1CCN(Cc2ccncc2)CCC[NH2+]1 ZINC000049666603 177167202 /nfs/dbraw/zinc/16/72/02/177167202.db2.gz SWOYGLOWUMVVCX-LBPRGKRZSA-N 1 0 219.332 1.656 10 0 BDAERO C[C@H]1CCN(Cc2cncs2)[C@@H](C[NH3+])C1 ZINC000235615893 177167720 /nfs/dbraw/zinc/16/77/20/177167720.db2.gz LNVWXGGNASSFTP-VHSXEESVSA-N 1 0 225.361 1.702 10 0 BDAERO C[C@H]1CC[C@@H](C(=O)NCC(C)(C)C)C[NH2+]1 ZINC000040494900 177181261 /nfs/dbraw/zinc/18/12/61/177181261.db2.gz JTCIKTJXRLMTGA-VHSXEESVSA-N 1 0 212.337 1.537 10 0 BDAERO C[C@H]1CC[C@H](C(=O)NCCc2ccccc2)C[NH2+]1 ZINC000019518164 177197105 /nfs/dbraw/zinc/19/71/05/177197105.db2.gz JSSUFVZEMHJHBU-JSGCOSHPSA-N 1 0 246.354 1.733 10 0 BDAERO C[C@H]1CN(C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000306561785 177235345 /nfs/dbraw/zinc/23/53/45/177235345.db2.gz BZDAPBXJNLWRRT-CBAPKCEASA-N 1 0 204.264 1.324 10 0 BDAERO C[C@H]1CN(C[C@@H](O)c2ccccc2)C[C@@H]1[NH+](C)C ZINC000226091162 177256873 /nfs/dbraw/zinc/25/68/73/177256873.db2.gz RVUSLEONDNFOQH-AEGPPILISA-N 1 0 248.370 1.602 10 0 BDAERO C[C@H]1CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000071543972 177262938 /nfs/dbraw/zinc/26/29/38/177262938.db2.gz LJBBDTQOVZCCCR-JTQLQIEISA-N 1 0 234.299 1.209 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N1CCCO[C@@H](C)C1 ZINC000061913360 177275265 /nfs/dbraw/zinc/27/52/65/177275265.db2.gz CSLHMUFOYKVIET-OUCADQQQSA-N 1 0 249.358 1.581 10 0 BDAERO C[C@H]1CN(c2ccc3c(n2)CCCC3=O)C[C@@H]1[NH3+] ZINC000333498338 177277389 /nfs/dbraw/zinc/27/73/89/177277389.db2.gz FDGDHJWANBTUHD-ONGXEEELSA-N 1 0 245.326 1.384 10 0 BDAERO C[C@H]1CN(c2nc3ccccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000270545677 177278271 /nfs/dbraw/zinc/27/82/71/177278271.db2.gz DQVIVOIYTOTVEC-GWCFXTLKSA-N 1 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CC(C)(CC[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252982015 487841650 /nfs/dbraw/zinc/84/16/50/487841650.db2.gz ULHGJATVWWLTGE-ILWJIGKKSA-N 1 0 210.321 1.276 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000253074293 487846708 /nfs/dbraw/zinc/84/67/08/487846708.db2.gz PNIKQJZDEBQCKF-OUAUKWLOSA-N 1 0 244.404 1.712 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253205466 487857966 /nfs/dbraw/zinc/85/79/66/487857966.db2.gz WJLYDGQBSMLXOQ-HHHUOAJASA-N 1 0 222.332 1.289 10 0 BDAERO C[C@H]([NH3+])CNc1ccc(Br)cn1 ZINC000082575164 487861313 /nfs/dbraw/zinc/86/13/13/487861313.db2.gz BMFJACCGQGDEGS-LURJTMIESA-N 1 0 230.109 1.603 10 0 BDAERO C[C@H]1CC[C@@H](C[N@@H+]2C[C@H](C)C[C@H](O)C2)O1 ZINC000401885218 533696627 /nfs/dbraw/zinc/69/66/27/533696627.db2.gz DWEGJOCXLUSIMV-RHYQMDGZSA-N 1 0 213.321 1.257 10 0 BDAERO COC[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000234715631 487867606 /nfs/dbraw/zinc/86/76/06/487867606.db2.gz ZJDBBNZOIPRVIH-NEPJUHHUSA-N 1 0 242.363 1.245 10 0 BDAERO COC[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000234761472 487872818 /nfs/dbraw/zinc/87/28/18/487872818.db2.gz UTEYVXFYLDZSFF-IJLUTSLNSA-N 1 0 213.321 1.258 10 0 BDAERO CC1(C)C[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227428123 487879292 /nfs/dbraw/zinc/87/92/92/487879292.db2.gz LBGRVSHYVNSZQR-GMTAPVOTSA-N 1 0 224.348 1.524 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000682029753 487883518 /nfs/dbraw/zinc/88/35/18/487883518.db2.gz VEIVWBCBWZRFAF-WCBMZHEXSA-N 1 0 207.264 1.734 10 0 BDAERO C(NC[C@H]1CC[NH2+]C1)c1nc2c(s1)CCC2 ZINC000666845549 487889354 /nfs/dbraw/zinc/88/93/54/487889354.db2.gz IQIUAZREVJFOCD-VIFPVBQESA-N 1 0 237.372 1.331 10 0 BDAERO Cc1cnc([C@H](C)[NH2+]CC[C@@H]2CCNC2=O)o1 ZINC000396054656 487893385 /nfs/dbraw/zinc/89/33/85/487893385.db2.gz VUHAOGVNEMXWTM-VHSXEESVSA-N 1 0 237.303 1.160 10 0 BDAERO CN(C(=O)C1CCC([NH3+])CC1)C1CCC1 ZINC000157645174 487916744 /nfs/dbraw/zinc/91/67/44/487916744.db2.gz BIBXBQQTCWPABB-UHFFFAOYSA-N 1 0 210.321 1.515 10 0 BDAERO Cc1nnc(NC[C@H]2CCCC[NH2+]2)s1 ZINC000083584650 487922625 /nfs/dbraw/zinc/92/26/25/487922625.db2.gz QQKBQXCRIPXVPV-MRVPVSSYSA-N 1 0 212.322 1.401 10 0 BDAERO CC(C)n1cncc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000090208474 487922690 /nfs/dbraw/zinc/92/26/90/487922690.db2.gz GQEBJTCNYBQJHK-AAEUAGOBSA-N 1 0 237.347 1.857 10 0 BDAERO CC(C)n1cncc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000090208473 487923203 /nfs/dbraw/zinc/92/32/03/487923203.db2.gz GQEBJTCNYBQJHK-YPMHNXCESA-N 1 0 237.347 1.857 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000381499906 487931512 /nfs/dbraw/zinc/93/15/12/487931512.db2.gz OQDHVOZSXNVJPZ-LPWJVIDDSA-N 1 0 225.332 1.401 10 0 BDAERO C(=C\c1ccccc1)\CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000562750328 323029647 /nfs/dbraw/zinc/02/96/47/323029647.db2.gz ILOFTELOHSWOKK-FEGLDZKKSA-N 1 0 244.338 1.372 10 0 BDAERO CC[C@H](O)C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000571040560 323104578 /nfs/dbraw/zinc/10/45/78/323104578.db2.gz IZCKJARAFWPKPI-FOGDFJRCSA-N 1 0 215.337 1.551 10 0 BDAERO CCOc1nccnc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000563611474 323131499 /nfs/dbraw/zinc/13/14/99/323131499.db2.gz HQUTTZXPWISFET-UWVGGRQHSA-N 1 0 236.319 1.049 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnccn1 ZINC000571500811 323146001 /nfs/dbraw/zinc/14/60/01/323146001.db2.gz UTQXLQCDBSKIND-YPMHNXCESA-N 1 0 232.331 1.145 10 0 BDAERO C[NH2+]CCCNc1ccc(S(C)(=O)=O)cc1 ZINC000258688401 323146577 /nfs/dbraw/zinc/14/65/77/323146577.db2.gz FRFZLUCBDXKYPV-UHFFFAOYSA-N 1 0 242.344 1.112 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000111716102 323163306 /nfs/dbraw/zinc/16/33/06/323163306.db2.gz AVGJRNGFNAJSET-WDEREUQCSA-N 1 0 246.358 1.529 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](SC)C1 ZINC000394983184 323184958 /nfs/dbraw/zinc/18/49/58/323184958.db2.gz BMFJATDCUOZRQI-RYUDHWBXSA-N 1 0 247.404 1.601 10 0 BDAERO CCOCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398856704 323193925 /nfs/dbraw/zinc/19/39/25/323193925.db2.gz OVIPIYFYRAQRMN-SDDRHHMPSA-N 1 0 213.321 1.116 10 0 BDAERO CC[C@H](C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)OC ZINC000399100274 323196772 /nfs/dbraw/zinc/19/67/72/323196772.db2.gz UNOARZHAUDODOZ-ZDEQEGDKSA-N 1 0 227.348 1.504 10 0 BDAERO COCCn1ccnc1[C@@H]1[NH2+]CC12CCC2 ZINC000536956401 323967157 /nfs/dbraw/zinc/96/71/57/323967157.db2.gz ZHDVJIVLJJWCPW-JTQLQIEISA-N 1 0 221.304 1.344 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1OC(=O)c1ccccc1 ZINC000536958233 323969453 /nfs/dbraw/zinc/96/94/53/323969453.db2.gz XNEPWALWHOJHLN-GXSJLCMTSA-N 1 0 205.257 1.594 10 0 BDAERO Cc1ccncc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000071414243 325073824 /nfs/dbraw/zinc/07/38/24/325073824.db2.gz RMJGRRRPIDPPAR-LLVKDONJSA-N 1 0 233.315 1.718 10 0 BDAERO CCc1nnc(C[NH2+][C@@H](COC)C(C)C)n1C ZINC000543455452 325090351 /nfs/dbraw/zinc/09/03/51/325090351.db2.gz SRKURNDFKNUHHW-JTQLQIEISA-N 1 0 240.351 1.138 10 0 BDAERO CCC[C@@H](C(=O)N(C)C[C@@H]1CCOC1)[NH+](C)C ZINC000132677861 325235533 /nfs/dbraw/zinc/23/55/33/325235533.db2.gz JQJJZJCOUAPOMK-RYUDHWBXSA-N 1 0 242.363 1.212 10 0 BDAERO CSCCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000075766304 325310424 /nfs/dbraw/zinc/31/04/24/325310424.db2.gz VTSWTTYGMWYJQA-UWVGGRQHSA-N 1 0 203.351 1.849 10 0 BDAERO CCOC(=O)c1cccnc1N[C@H](C)C[NH3+] ZINC000082576259 325544429 /nfs/dbraw/zinc/54/44/29/325544429.db2.gz QEFIAKGTXSKWFR-MRVPVSSYSA-N 1 0 223.276 1.017 10 0 BDAERO C[C@@H](NC(=O)C1CC(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000565593236 325931670 /nfs/dbraw/zinc/93/16/70/325931670.db2.gz GUWLAJANVLHXQU-BFUDSRACSA-N 1 0 224.348 1.537 10 0 BDAERO C[C@H](NC(=O)C1CC(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000565593242 325931676 /nfs/dbraw/zinc/93/16/76/325931676.db2.gz GUWLAJANVLHXQU-LVFLEHKBSA-N 1 0 224.348 1.537 10 0 BDAERO CCn1c(C)nnc1COc1ccccc1C[NH3+] ZINC000566103622 325995035 /nfs/dbraw/zinc/99/50/35/325995035.db2.gz CHHPXPPOPPJLFG-UHFFFAOYSA-N 1 0 246.314 1.644 10 0 BDAERO CC1CC(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000566735621 326077857 /nfs/dbraw/zinc/07/78/57/326077857.db2.gz BZKKLTYWQHNCTA-XIVSLSHWSA-N 1 0 222.332 1.245 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)C2CC=CC2)[C@@H](C)C1 ZINC000155702976 326208493 /nfs/dbraw/zinc/20/84/93/326208493.db2.gz OSMVAXBKZHWIDI-AAEUAGOBSA-N 1 0 236.359 1.798 10 0 BDAERO Cn1c(CSCC[NH+](C)C)nnc1C1CC1 ZINC000157865439 326298836 /nfs/dbraw/zinc/29/88/36/326298836.db2.gz IXZPLQYFPJJFMF-UHFFFAOYSA-N 1 0 240.376 1.487 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCC2CC2)C1 ZINC000158447121 326322543 /nfs/dbraw/zinc/32/25/43/326322543.db2.gz WZORDFSWLQMGSL-GHMZBOCLSA-N 1 0 210.321 1.420 10 0 BDAERO CCC[C@H](C(=O)NCCCF)[NH+](C)C ZINC000159096263 326349753 /nfs/dbraw/zinc/34/97/53/326349753.db2.gz BWIPJTUZJONSJD-SECBINFHSA-N 1 0 204.289 1.193 10 0 BDAERO C[C@H](C[C@H](C)[NH3+])Nc1ncc(Cl)cn1 ZINC000165727442 326426030 /nfs/dbraw/zinc/42/60/30/326426030.db2.gz ZWYHHKFZKKWCLK-NKWVEPMBSA-N 1 0 214.700 1.668 10 0 BDAERO CC1(C)C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1O ZINC000387858699 487979933 /nfs/dbraw/zinc/97/99/33/487979933.db2.gz KYHKPZKBGUIKCS-UTUOFQBUSA-N 1 0 227.348 1.240 10 0 BDAERO CN1CC[N@H+](C[C@H]2CCC[C@H](O)C2)CC1(C)C ZINC000310414999 487991662 /nfs/dbraw/zinc/99/16/62/487991662.db2.gz MXVPWLBFOXEOPN-STQMWFEESA-N 1 0 240.391 1.564 10 0 BDAERO CN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1=O ZINC000668617554 488014588 /nfs/dbraw/zinc/01/45/88/488014588.db2.gz ZXQIGJOYNPIJTF-WHOHXGKFSA-N 1 0 222.332 1.243 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CCOCc2ccccc2)C1 ZINC000401566435 488033824 /nfs/dbraw/zinc/03/38/24/488033824.db2.gz BMKIUYDPPAQSML-ZFWWWQNUSA-N 1 0 249.354 1.906 10 0 BDAERO CC(C)[C@H](C)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000319024589 488038888 /nfs/dbraw/zinc/03/88/88/488038888.db2.gz RJGUDJGAKFNVFY-WDEREUQCSA-N 1 0 215.337 1.503 10 0 BDAERO CC1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000084308410 488042236 /nfs/dbraw/zinc/04/22/36/488042236.db2.gz SKUFXHUPYYWBBD-NWDGAFQWSA-N 1 0 224.348 1.620 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000084308542 488042412 /nfs/dbraw/zinc/04/24/12/488042412.db2.gz IQKOXUARCAODCI-ONGXEEELSA-N 1 0 222.288 1.271 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccnc1 ZINC000084308712 488043065 /nfs/dbraw/zinc/04/30/65/488043065.db2.gz ABMMPQNDYRFDHP-KOLCDFICSA-N 1 0 219.288 1.395 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC(F)(F)F ZINC000084308998 488043104 /nfs/dbraw/zinc/04/31/04/488043104.db2.gz AWRYHFQYRHCAEY-BQBZGAKWSA-N 1 0 224.226 1.040 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1cccs1 ZINC000084309136 488043112 /nfs/dbraw/zinc/04/31/12/488043112.db2.gz ZJVKVMWFWFLSNY-ONGXEEELSA-N 1 0 238.356 1.739 10 0 BDAERO CC(C)CN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084309256 488042965 /nfs/dbraw/zinc/04/29/65/488042965.db2.gz ALZNHDOUQMNVGU-WDEREUQCSA-N 1 0 212.337 1.476 10 0 BDAERO CN(CC1CC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084309859 488043756 /nfs/dbraw/zinc/04/37/56/488043756.db2.gz LLJZHDVWUDLPGD-QWRGUYRKSA-N 1 0 210.321 1.230 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000659290676 488046143 /nfs/dbraw/zinc/04/61/43/488046143.db2.gz MXEZIFSWIIMNNO-YYHQMBLXSA-N 1 0 236.359 1.666 10 0 BDAERO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000084381993 488048141 /nfs/dbraw/zinc/04/81/41/488048141.db2.gz CVNDCPXYHPVSOC-ZJUUUORDSA-N 1 0 238.356 1.925 10 0 BDAERO Cc1ncccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000091496997 488054589 /nfs/dbraw/zinc/05/45/89/488054589.db2.gz JVOIJOMRTDVROT-WDEREUQCSA-N 1 0 233.315 1.704 10 0 BDAERO Cc1cccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000091546898 488055844 /nfs/dbraw/zinc/05/58/44/488055844.db2.gz QQAGQNVUIIHZAI-GHMZBOCLSA-N 1 0 233.315 1.134 10 0 BDAERO [NH3+]C[C@@H](NC(=O)[C@@H]1CC=CCC1)C(F)(F)F ZINC000401724511 488056858 /nfs/dbraw/zinc/05/68/58/488056858.db2.gz PNPSSLHHYFUWRC-HTQZYQBOSA-N 1 0 236.237 1.349 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC1(C)CCCC1 ZINC000128998276 488062936 /nfs/dbraw/zinc/06/29/36/488062936.db2.gz STSCGWVLZHRKHA-SNVBAGLBSA-N 1 0 212.337 1.809 10 0 BDAERO C[N@H+](CCOCC1CC1)C[C@@H]1CCC[C@H](O)C1 ZINC000310185512 488070488 /nfs/dbraw/zinc/07/04/88/488070488.db2.gz XKUVOXNWMJEFLZ-KGLIPLIRSA-N 1 0 241.375 1.896 10 0 BDAERO C[N@H+](CCOCC1CC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000310185517 488070540 /nfs/dbraw/zinc/07/05/40/488070540.db2.gz XKUVOXNWMJEFLZ-ZIAGYGMSSA-N 1 0 241.375 1.896 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])nn1C ZINC000257693306 488082350 /nfs/dbraw/zinc/08/23/50/488082350.db2.gz MTQOIFRDGPEYRM-ZJUUUORDSA-N 1 0 236.319 1.042 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2cc(C)nc(C)n2)C1 ZINC000389393775 488093659 /nfs/dbraw/zinc/09/36/59/488093659.db2.gz JNJGTCFKQMQXNK-LLVKDONJSA-N 1 0 220.320 1.600 10 0 BDAERO CCCn1nccc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000159991648 488097100 /nfs/dbraw/zinc/09/71/00/488097100.db2.gz XTTXBQHNSSKGRF-YPMHNXCESA-N 1 0 237.347 1.950 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccnc1N ZINC000092669470 488100664 /nfs/dbraw/zinc/10/06/64/488100664.db2.gz VEDMWOVNYQSEKP-ZDUSSCGKSA-N 1 0 248.374 1.580 10 0 BDAERO CCN(CC[NH3+])c1ncnc2c(C)csc21 ZINC000222273606 488101541 /nfs/dbraw/zinc/10/15/41/488101541.db2.gz GKNQCYWMMQVNFT-UHFFFAOYSA-N 1 0 236.344 1.785 10 0 BDAERO CCN(C[C@@H]1CCOC1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136409287 488101681 /nfs/dbraw/zinc/10/16/81/488101681.db2.gz ADBBYUGJCSETTQ-NWDGAFQWSA-N 1 0 242.363 1.245 10 0 BDAERO C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000389603664 488102500 /nfs/dbraw/zinc/10/25/00/488102500.db2.gz WNWCBDKCADVULU-UTUOFQBUSA-N 1 0 213.321 1.258 10 0 BDAERO CCC1(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CCOCC1 ZINC000389627083 488103142 /nfs/dbraw/zinc/10/31/42/488103142.db2.gz STFGJXDTEWRMFN-QWRGUYRKSA-N 1 0 240.347 1.189 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403233686 488119434 /nfs/dbraw/zinc/11/94/34/488119434.db2.gz NOGNQBOPKPQUMV-UMSGYPCISA-N 1 0 236.359 1.681 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)[C@@H]1C[C@H]1C ZINC000321166132 488128549 /nfs/dbraw/zinc/12/85/49/488128549.db2.gz XXNWSGSUXRKTMC-KXNHARMFSA-N 1 0 245.388 1.588 10 0 BDAERO C[C@H](NC(=O)c1ccc(C[NH3+])o1)[C@H]1CCCO1 ZINC000094565242 487541788 /nfs/dbraw/zinc/54/17/88/487541788.db2.gz MTXGOCIRJSWRFZ-WCBMZHEXSA-N 1 0 238.287 1.036 10 0 BDAERO CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000324133555 487542121 /nfs/dbraw/zinc/54/21/21/487542121.db2.gz PXSVNCHWCZRLHL-UTUOFQBUSA-N 1 0 224.348 1.665 10 0 BDAERO CC(C)[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000324133552 487542494 /nfs/dbraw/zinc/54/24/94/487542494.db2.gz PXSVNCHWCZRLHL-SRVKXCTJSA-N 1 0 224.348 1.665 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCNC1=O)c1cccc(C)c1 ZINC000658051871 487533080 /nfs/dbraw/zinc/53/30/80/487533080.db2.gz BMFBXLATYGRUJD-QWHCGFSZSA-N 1 0 232.327 1.924 10 0 BDAERO [NH3+]CCc1ccccc1C(=O)N[C@H]1CCCOC1 ZINC000070542385 487482022 /nfs/dbraw/zinc/48/20/22/487482022.db2.gz DYOMTQZFBWHHLE-LBPRGKRZSA-N 1 0 248.326 1.097 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000380618926 487482068 /nfs/dbraw/zinc/48/20/68/487482068.db2.gz MVPXBOODTKNCPI-SKDRFNHKSA-N 1 0 243.310 1.730 10 0 BDAERO CC(C)CCN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000148569895 487487861 /nfs/dbraw/zinc/48/78/61/487487861.db2.gz VUZPGDDCXVKTBU-NSHDSACASA-N 1 0 214.353 1.864 10 0 BDAERO CN1CCC[C@H]1C[N@H+](C)CCCCCO ZINC000086189511 487489242 /nfs/dbraw/zinc/48/92/42/487489242.db2.gz ONYRIFJVLOBLEZ-LBPRGKRZSA-N 1 0 214.353 1.175 10 0 BDAERO CCCNC(=O)C[NH2+]Cc1ccc(C)nc1 ZINC000062053191 487491804 /nfs/dbraw/zinc/49/18/04/487491804.db2.gz SQRFCIKGPVEVJA-UHFFFAOYSA-N 1 0 221.304 1.006 10 0 BDAERO CC(C)(CC[N@@H+]1CCOC[C@@H]1CO)C1CC1 ZINC000406039222 487496776 /nfs/dbraw/zinc/49/67/76/487496776.db2.gz PBWMIBICWZVALO-LBPRGKRZSA-N 1 0 227.348 1.506 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052013809 487497921 /nfs/dbraw/zinc/49/79/21/487497921.db2.gz NNQMESDUFFDZTJ-KKOKHZNYSA-N 1 0 213.321 1.183 10 0 BDAERO OCC[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CCC1 ZINC000381178533 487501111 /nfs/dbraw/zinc/50/11/11/487501111.db2.gz VRWSMAWOUWGPIP-YPMHNXCESA-N 1 0 227.348 1.384 10 0 BDAERO CC(C)(O)C(C)(C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000381241053 487502418 /nfs/dbraw/zinc/50/24/18/487502418.db2.gz NCTZUKHNSXPHSF-GHMZBOCLSA-N 1 0 229.364 1.677 10 0 BDAERO OCC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000381391222 487507694 /nfs/dbraw/zinc/50/76/94/487507694.db2.gz NJJYCQWZHZRSGS-AVGNSLFASA-N 1 0 227.348 1.384 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CC=CCC1 ZINC000381460714 487508266 /nfs/dbraw/zinc/50/82/66/487508266.db2.gz KXQTUMMVCPAYME-NEPJUHHUSA-N 1 0 222.332 1.744 10 0 BDAERO Cc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1O ZINC000086555736 487518607 /nfs/dbraw/zinc/51/86/07/487518607.db2.gz VRCUQLFQNYTKFY-SECBINFHSA-N 1 0 220.272 1.249 10 0 BDAERO [NH3+]CC1(CCNc2ccc(Cl)cn2)CC1 ZINC000395917624 487703054 /nfs/dbraw/zinc/70/30/54/487703054.db2.gz VWAFENPJPMBBNO-UHFFFAOYSA-N 1 0 225.723 1.698 10 0 BDAERO [NH3+]CC1(CCNc2ccncc2Cl)CC1 ZINC000395848932 487703157 /nfs/dbraw/zinc/70/31/57/487703157.db2.gz CWYSIVLLVHRNJG-UHFFFAOYSA-N 1 0 225.723 1.698 10 0 BDAERO CCOCC[N@H+](CC)C[C@H]1CCC[C@H](O)C1 ZINC000309807354 487724927 /nfs/dbraw/zinc/72/49/27/487724927.db2.gz XZPAKYSQEYMLMB-STQMWFEESA-N 1 0 229.364 1.896 10 0 BDAERO CC1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000227430648 487898819 /nfs/dbraw/zinc/89/88/19/487898819.db2.gz WOSYUWPMBPNPRR-MNOVXSKESA-N 1 0 224.348 1.668 10 0 BDAERO Cc1noc2ncnc(N[C@@H]3CCC[NH2+][C@H]3C)c12 ZINC000229610607 487930897 /nfs/dbraw/zinc/93/08/97/487930897.db2.gz QTVHMJIHMWWSRD-IONNQARKSA-N 1 0 247.302 1.479 10 0 BDAERO [NH3+]Cc1cn(Cc2ccn(C3CCCC3)n2)nn1 ZINC000085184825 488134956 /nfs/dbraw/zinc/13/49/56/488134956.db2.gz SRTXWKBBBJSSKK-UHFFFAOYSA-N 1 0 246.318 1.097 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000230693058 488136880 /nfs/dbraw/zinc/13/68/80/488136880.db2.gz XEQACNYGXCUJPE-QJPTWQEYSA-N 1 0 222.332 1.599 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667842744 488137232 /nfs/dbraw/zinc/13/72/32/488137232.db2.gz PKCIMHKLFOLNQW-CHWSQXEVSA-N 1 0 235.331 1.349 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667858584 488140441 /nfs/dbraw/zinc/14/04/41/488140441.db2.gz SYFCRRAMUTZRLO-GRYCIOLGSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000677853814 488141417 /nfs/dbraw/zinc/14/14/17/488141417.db2.gz KBZAFAJYZLNQLT-KOLCDFICSA-N 1 0 231.299 1.830 10 0 BDAERO CC(C)[C@H](C)[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404034529 488145669 /nfs/dbraw/zinc/14/56/69/488145669.db2.gz YDEDSQNJUODSEO-TUAOUCFPSA-N 1 0 212.337 1.094 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2ccoc2C)C1 ZINC000321576265 488146204 /nfs/dbraw/zinc/14/62/04/488146204.db2.gz VHWQTCWUHLADIL-ZDUSSCGKSA-N 1 0 238.331 1.398 10 0 BDAERO CC(C)[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404132066 488148001 /nfs/dbraw/zinc/14/80/01/488148001.db2.gz NRZKUEGZOXSUNZ-ZJUUUORDSA-N 1 0 221.291 1.980 10 0 BDAERO Cc1cc(C)nc(N(C)CC(C)(C)[NH3+])n1 ZINC000259215571 488154540 /nfs/dbraw/zinc/15/45/40/488154540.db2.gz AJXXRMGLBWTYJQ-UHFFFAOYSA-N 1 0 208.309 1.267 10 0 BDAERO CC[C@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@@H]1C[C@H]1C ZINC000321924014 488161926 /nfs/dbraw/zinc/16/19/26/488161926.db2.gz RLWVYLBBXJSNCG-DBIOUOCHSA-N 1 0 233.377 1.444 10 0 BDAERO COCC1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136467447 488180811 /nfs/dbraw/zinc/18/08/11/488180811.db2.gz LRUCQSFUZIHMPG-GFCCVEGCSA-N 1 0 242.363 1.245 10 0 BDAERO COc1cccc(N2CCC(C[NH3+])CC2)c1 ZINC000034521088 488198472 /nfs/dbraw/zinc/19/84/72/488198472.db2.gz JUPQXBACXUJVHI-UHFFFAOYSA-N 1 0 220.316 1.870 10 0 BDAERO Cc1cc(C[NH3+])ccc1-c1cnn(C)c1 ZINC000085707847 488200311 /nfs/dbraw/zinc/20/03/11/488200311.db2.gz VJSZUTUCRGQJFK-UHFFFAOYSA-N 1 0 201.273 1.854 10 0 BDAERO [NH3+]C1(CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000398114783 488211187 /nfs/dbraw/zinc/21/11/87/488211187.db2.gz OMGFCEAHOINPGR-LLVKDONJSA-N 1 0 246.310 1.508 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@H](CC)C1CC1 ZINC000323778613 488220770 /nfs/dbraw/zinc/22/07/70/488220770.db2.gz ZOKZDYXHLZGOMX-QWHCGFSZSA-N 1 0 229.364 1.942 10 0 BDAERO CCC[C@@H](C(=O)Nc1cc(CC)[nH]n1)[NH+](C)C ZINC000120025775 490054474 /nfs/dbraw/zinc/05/44/74/490054474.db2.gz HCQNGHZQROMGFZ-JTQLQIEISA-N 1 0 238.335 1.641 10 0 BDAERO CC(C)(CO)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000122031480 490119122 /nfs/dbraw/zinc/11/91/22/490119122.db2.gz FXRNYWNLQYRQBP-AXFHLTTASA-N 1 0 227.348 1.408 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000226231250 490124291 /nfs/dbraw/zinc/12/42/91/490124291.db2.gz CAGYQNVTAUNZGQ-UMSGYPCISA-N 1 0 227.348 1.431 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000037164058 490146075 /nfs/dbraw/zinc/14/60/75/490146075.db2.gz VPXJYSOBWVVOFS-NEPJUHHUSA-N 1 0 249.310 1.808 10 0 BDAERO Cc1c(C[NH2+][C@@H]2CCS[C@@H]2C)cnn1C ZINC000220831504 490148153 /nfs/dbraw/zinc/14/81/53/490148153.db2.gz QOJROROJBGJWBJ-MWLCHTKSSA-N 1 0 225.361 1.712 10 0 BDAERO COC[C@H](C)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000220867553 490152306 /nfs/dbraw/zinc/15/23/06/490152306.db2.gz MTSNTLKTMCRGBA-PSASIEDQSA-N 1 0 212.293 1.916 10 0 BDAERO CCn1cc(C[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000050539613 490158081 /nfs/dbraw/zinc/15/80/81/490158081.db2.gz VSPUJWLKMPJPQI-LBPRGKRZSA-N 1 0 223.320 1.562 10 0 BDAERO CC[C@H](COC)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000070624116 490226712 /nfs/dbraw/zinc/22/67/12/490226712.db2.gz NJCKUOWPYKEDGY-VWYCJHECSA-N 1 0 201.310 1.305 10 0 BDAERO Cc1cnn(C)c1[C@@H](C[NH3+])C1(CO)CCCC1 ZINC000536953989 490235615 /nfs/dbraw/zinc/23/56/15/490235615.db2.gz MRUONMSPNGXMNG-LLVKDONJSA-N 1 0 237.347 1.324 10 0 BDAERO Cn1ccc([C@@H](C[NH3+])C2(CO)CCCC2)n1 ZINC000536953965 490235664 /nfs/dbraw/zinc/23/56/64/490235664.db2.gz MKYRGGFCZFGAPJ-SNVBAGLBSA-N 1 0 223.320 1.015 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cnn(C)c1 ZINC000217455327 490441716 /nfs/dbraw/zinc/44/17/16/490441716.db2.gz JKMZTPHLRBPNSG-MVWJERBFSA-N 1 0 223.320 1.374 10 0 BDAERO CCn1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cn1 ZINC000217455778 490441950 /nfs/dbraw/zinc/44/19/50/490441950.db2.gz HLLVJCLQMJOFNL-WCFLWFBJSA-N 1 0 237.347 1.857 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cncnc1 ZINC000127343778 490545769 /nfs/dbraw/zinc/54/57/69/490545769.db2.gz SHQBXZOINVETQG-LBPRGKRZSA-N 1 0 221.304 1.214 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccnn1C ZINC000300062089 490549890 /nfs/dbraw/zinc/54/98/90/490549890.db2.gz SYDGEACIRQCKGV-DCAQKATOSA-N 1 0 223.320 1.374 10 0 BDAERO CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1CCC1 ZINC000309473498 490691922 /nfs/dbraw/zinc/69/19/22/490691922.db2.gz RJSNFQGCVMILDX-LLVKDONJSA-N 1 0 212.337 1.761 10 0 BDAERO [NH3+]CC[C@@H](Nc1ccncc1Cl)C(F)F ZINC000383423657 491082140 /nfs/dbraw/zinc/08/21/40/491082140.db2.gz BEFPFUXNKUURRV-MRVPVSSYSA-N 1 0 235.665 1.551 10 0 BDAERO Cc1cnccc1CC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399328209 491061440 /nfs/dbraw/zinc/06/14/40/491061440.db2.gz MXNKSEPUYLFHID-JSGCOSHPSA-N 1 0 234.343 1.778 10 0 BDAERO [NH3+][C@@H]1c2c(Br)cccc2CC[C@H]1O ZINC000039941499 491110644 /nfs/dbraw/zinc/11/06/44/491110644.db2.gz ACUGHLWGEVRFJO-SCZZXKLOSA-N 1 0 242.116 1.756 10 0 BDAERO O=C1NCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000309551330 491151246 /nfs/dbraw/zinc/15/12/46/491151246.db2.gz FZBWNBSMGCRDIZ-NWDGAFQWSA-N 1 0 216.284 1.152 10 0 BDAERO Cc1nc(C(=O)[C@@H]2C[C@H]2C)sc1CC[NH3+] ZINC000757127005 582502028 /nfs/dbraw/zinc/50/20/28/582502028.db2.gz XGFLUBPGKMBKKT-HTRCEHHLSA-N 1 0 224.329 1.791 10 0 BDAERO CC(C)(C)[C@H]1CCO[C@@]2(CCCOC2)[NH2+]1 ZINC000757139532 582519439 /nfs/dbraw/zinc/51/94/39/582519439.db2.gz FNKBHFLWGRTFKX-ZYHUDNBSSA-N 1 0 213.321 1.918 10 0 BDAERO CCOC(=O)[C@H]1[C@@H]([NH3+])c2ccccc2[C@H]1C ZINC000757140623 582521101 /nfs/dbraw/zinc/52/11/01/582521101.db2.gz NQHBFFGCKZXDKC-FXAINCCUSA-N 1 0 219.284 1.983 10 0 BDAERO C[C@@H]1O[C@]2(CN3CCC2CC3)[NH2+]CC1(C)C ZINC000757143681 582523971 /nfs/dbraw/zinc/52/39/71/582523971.db2.gz FFJXOPHSHKWWQX-GWCFXTLKSA-N 1 0 224.348 1.443 10 0 BDAERO CC(C)(C)[C@@H]1CN[C@@]2(CCC[NH2+]C2)OC1 ZINC000757143759 582524154 /nfs/dbraw/zinc/52/41/54/582524154.db2.gz FFJZRDSTNKTANX-PWSUYJOCSA-N 1 0 212.337 1.348 10 0 BDAERO Cc1cc(C)nc(CN2CC[C@@H]2C[NH3+])c1 ZINC000757144306 582525044 /nfs/dbraw/zinc/52/50/44/582525044.db2.gz IXCOYCXTERAJTP-GFCCVEGCSA-N 1 0 205.305 1.231 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757147392 582531397 /nfs/dbraw/zinc/53/13/97/582531397.db2.gz BNMPXLGWTVOHBZ-QWRGUYRKSA-N 1 0 248.392 1.176 10 0 BDAERO C1CC1[C@@H]1CCO[C@]2(CCCSC2)[NH2+]1 ZINC000757147278 582531565 /nfs/dbraw/zinc/53/15/65/582531565.db2.gz RYEOIIWPCUWEKH-QWRGUYRKSA-N 1 0 213.346 1.998 10 0 BDAERO CCCN(CCC)S(=O)(=O)C[C@@H]([NH3+])C1CC1 ZINC000757153135 582536957 /nfs/dbraw/zinc/53/69/57/582536957.db2.gz NJGXLNZHQBWSNF-LLVKDONJSA-N 1 0 248.392 1.176 10 0 BDAERO CCOc1cccnc1N1CC[C@@H]1C[NH3+] ZINC000757151583 582535839 /nfs/dbraw/zinc/53/58/39/582535839.db2.gz QCLBVMSDABPXJZ-SECBINFHSA-N 1 0 207.277 1.018 10 0 BDAERO CCC[C@H]([NH3+])CS(=O)(=O)N1CCCCCC1 ZINC000757151634 582535927 /nfs/dbraw/zinc/53/59/27/582535927.db2.gz IQZIMNZYISDNKF-NSHDSACASA-N 1 0 248.392 1.320 10 0 BDAERO C[C@H](C1CCOCC1)n1cc(C[NH3+])cn1 ZINC000757165619 582546930 /nfs/dbraw/zinc/54/69/30/582546930.db2.gz JPHYHTKEENDJGC-SECBINFHSA-N 1 0 209.293 1.329 10 0 BDAERO CCc1ccc(CS[C@@H](C)[C@@H](O)C[NH3+])o1 ZINC000757168759 582549948 /nfs/dbraw/zinc/54/99/48/582549948.db2.gz CXGOCYRUYBMWCC-KWQFWETISA-N 1 0 229.345 1.783 10 0 BDAERO C[C@H]([NH3+])Cc1ccnc(Cc2cccnc2)n1 ZINC000054834020 518182642 /nfs/dbraw/zinc/18/26/42/518182642.db2.gz MNRQXRATLOFHDU-JTQLQIEISA-N 1 0 228.299 1.352 10 0 BDAERO Clc1nccc(CO[C@@H]2CC[NH2+]C2)n1 ZINC000095070304 518194598 /nfs/dbraw/zinc/19/45/98/518194598.db2.gz QEJOCRFULBIPGN-MRVPVSSYSA-N 1 0 213.668 1.009 10 0 BDAERO C/C(=C/c1ccccc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000229017956 518413398 /nfs/dbraw/zinc/41/33/98/518413398.db2.gz DINOKLNQCKNBJX-FUWURINLSA-N 1 0 230.311 1.650 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]CC12CCCCC2 ZINC000225847009 521316309 /nfs/dbraw/zinc/31/63/09/521316309.db2.gz TWGIRPUXVYHUID-SNVBAGLBSA-N 1 0 211.305 1.719 10 0 BDAERO C[NH+](C)[C@@H](CO)c1cc(F)c(F)c(F)c1 ZINC000095532598 522033229 /nfs/dbraw/zinc/03/32/29/522033229.db2.gz YLSVOOABHHDEEU-VIFPVBQESA-N 1 0 219.206 1.699 10 0 BDAERO CCc1noc(NCCC[NH+](CC)CC)n1 ZINC000057353906 522902275 /nfs/dbraw/zinc/90/22/75/522902275.db2.gz BWKDGCOIQMAJNU-UHFFFAOYSA-N 1 0 226.324 1.776 10 0 BDAERO CC(C)(C)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000177947827 534704084 /nfs/dbraw/zinc/70/40/84/534704084.db2.gz UPEADKYHNFXRJT-UHFFFAOYSA-N 1 0 239.363 1.665 10 0 BDAERO C[C@@H]1C[N@H+](C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000252475251 524900304 /nfs/dbraw/zinc/90/03/04/524900304.db2.gz WVKQWWLNMFYSHO-NXEZZACHSA-N 1 0 228.336 1.851 10 0 BDAERO C[NH2+][C@H](C)c1ccccc1N1CCOCC1 ZINC000034837333 536406390 /nfs/dbraw/zinc/40/63/90/536406390.db2.gz AEJKTGHYFRQLET-LLVKDONJSA-N 1 0 220.316 1.804 10 0 BDAERO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H](C)[NH3+] ZINC000011919649 525614241 /nfs/dbraw/zinc/61/42/41/525614241.db2.gz NDKQSZVGDWFKGS-WKEGUHRASA-N 1 0 237.255 1.263 10 0 BDAERO Cc1ccc(-c2noc(CCC[NH3+])n2)n1C ZINC000229002941 525874915 /nfs/dbraw/zinc/87/49/15/525874915.db2.gz NWQZYYZDYAIRRI-UHFFFAOYSA-N 1 0 220.276 1.275 10 0 BDAERO c1c2c(nnc1N1CCC[NH2+]CC1)CCCC2 ZINC000229016917 526401158 /nfs/dbraw/zinc/40/11/58/526401158.db2.gz CTLSROSLGDWTPY-UHFFFAOYSA-N 1 0 232.331 1.155 10 0 BDAERO c1coc(-c2nc([C@H]3CC[NH2+]C3)no2)c1 ZINC000257910918 526562055 /nfs/dbraw/zinc/56/20/55/526562055.db2.gz FISMRBLSUHLBDO-ZETCQYMHSA-N 1 0 205.217 1.407 10 0 BDAERO C[NH2+]Cc1cccnc1N1CCO[C@H]2CCC[C@@H]21 ZINC000051485524 536470924 /nfs/dbraw/zinc/47/09/24/536470924.db2.gz FCBDDUJEBJLLAA-STQMWFEESA-N 1 0 247.342 1.559 10 0 BDAERO O=C(c1ccccc1F)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090320664 526806763 /nfs/dbraw/zinc/80/67/63/526806763.db2.gz GMEVFVXVOVCGDP-UWVGGRQHSA-N 1 0 234.274 1.117 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179123741 535145165 /nfs/dbraw/zinc/14/51/65/535145165.db2.gz WZEPMZMNCKMRLA-QWRGUYRKSA-N 1 0 212.337 1.489 10 0 BDAERO CC(C)n1nnnc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177546915 535168219 /nfs/dbraw/zinc/16/82/19/535168219.db2.gz HMKUCZYHHRNMNE-TXEJJXNPSA-N 1 0 249.362 1.876 10 0 BDAERO CC1(C)CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000087253563 535313040 /nfs/dbraw/zinc/31/30/40/535313040.db2.gz LTJZFEHTGQIZTK-NXEZZACHSA-N 1 0 210.321 1.372 10 0 BDAERO CC1(C)CN(C(=O)C[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000261551250 535334973 /nfs/dbraw/zinc/33/49/73/535334973.db2.gz LXRJTQMNGJUXED-MNOVXSKESA-N 1 0 240.347 1.141 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@H](C)COC)C1 ZINC000249764221 535541060 /nfs/dbraw/zinc/54/10/60/535541060.db2.gz YINJXRTWRNMNGA-GHMZBOCLSA-N 1 0 200.326 1.095 10 0 BDAERO CCN1CCC[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000220879490 535581049 /nfs/dbraw/zinc/58/10/49/535581049.db2.gz MBFAVROEPIWONI-UNXYVOJBSA-N 1 0 212.337 1.238 10 0 BDAERO CCOCC[N@H+](CC)[C@@H]1CCCCNC1=O ZINC000157609344 535586945 /nfs/dbraw/zinc/58/69/45/535586945.db2.gz WZDPFUOQSULIKW-LLVKDONJSA-N 1 0 228.336 1.014 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000262107496 535678719 /nfs/dbraw/zinc/67/87/19/535678719.db2.gz GBYJAEBMLFSNCV-LMLFDSFASA-N 1 0 242.363 1.290 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251886745 535847808 /nfs/dbraw/zinc/84/78/08/535847808.db2.gz WECMQBFORVGJQW-STQMWFEESA-N 1 0 226.364 1.318 10 0 BDAERO CN(C(=O)CCc1ccccc1)C1C[NH2+]C1 ZINC000085257635 535976980 /nfs/dbraw/zinc/97/69/80/535976980.db2.gz QMGJRZFBUGKHFC-UHFFFAOYSA-N 1 0 218.300 1.049 10 0 BDAERO CCn1cc(C2CC[NH+](CCCO)CC2)cn1 ZINC000195513078 536034862 /nfs/dbraw/zinc/03/48/62/536034862.db2.gz OTHLFAQRJHMERT-UHFFFAOYSA-N 1 0 237.347 1.465 10 0 BDAERO CCc1c(C)nc(Cl)nc1N1CC[NH2+]CC1 ZINC000073734978 536069427 /nfs/dbraw/zinc/06/94/27/536069427.db2.gz ZFQHJBFIKBTLJH-UHFFFAOYSA-N 1 0 240.738 1.410 10 0 BDAERO CCc1c(C)nc(C(C)C)nc1N1CC[NH2+]CC1 ZINC000045950747 536070002 /nfs/dbraw/zinc/07/00/02/536070002.db2.gz AHWSCOFPYWIFJJ-UHFFFAOYSA-N 1 0 248.374 1.880 10 0 BDAERO CCc1nc(CN2CC[C@H]([NH3+])C(C)(C)C2)no1 ZINC000261554310 536137206 /nfs/dbraw/zinc/13/72/06/536137206.db2.gz OUIPRYVOUADFIM-VIFPVBQESA-N 1 0 238.335 1.191 10 0 BDAERO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOC ZINC000086929537 536162504 /nfs/dbraw/zinc/16/25/04/536162504.db2.gz SJEMDIQDJNURHX-QWHCGFSZSA-N 1 0 226.364 1.582 10 0 BDAERO CC[C@H]1C[NH2+][C@H](C)CN1c1cnccc1C ZINC000083086108 536170031 /nfs/dbraw/zinc/17/00/31/536170031.db2.gz MGSVYKMSJOWMOT-NEPJUHHUSA-N 1 0 219.332 1.967 10 0 BDAERO CN1C(=O)C[C@@H]([NH2+]CCCCO)c2ccccc21 ZINC000234309141 536316728 /nfs/dbraw/zinc/31/67/28/536316728.db2.gz NCJSWKQWZFCLBH-GFCCVEGCSA-N 1 0 248.326 1.456 10 0 BDAERO C[NH2+][C@@H]1CCCN(Cc2ccn(C(F)F)n2)C1 ZINC000262107568 536363320 /nfs/dbraw/zinc/36/33/20/536363320.db2.gz WCOYCFAEAYGRJA-SECBINFHSA-N 1 0 244.289 1.462 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCCc2ccccc21 ZINC000055421424 536388460 /nfs/dbraw/zinc/38/84/60/536388460.db2.gz AWUGSXUGVKCEBL-SNVBAGLBSA-N 1 0 218.300 1.574 10 0 BDAERO C[NH2+][C@H](C)CNc1nccc(C(C)(C)C)n1 ZINC000261546060 536404731 /nfs/dbraw/zinc/40/47/31/536404731.db2.gz KQNWGAHAORSVTA-SECBINFHSA-N 1 0 222.336 1.794 10 0 BDAERO COC1(C[N@@H+]2CCOC(C)(C)C2)CCC1 ZINC000336195027 536627384 /nfs/dbraw/zinc/62/73/84/536627384.db2.gz CCQBDWQBUQEFDT-UHFFFAOYSA-N 1 0 213.321 1.666 10 0 BDAERO COC(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000173990593 536638426 /nfs/dbraw/zinc/63/84/26/536638426.db2.gz YQYPSZZHXFIXJP-VIFPVBQESA-N 1 0 234.299 1.605 10 0 BDAERO COc1ccccc1[C@]1(C)C[C@@H]1NC(N)=[NH2+] ZINC000262686693 537109628 /nfs/dbraw/zinc/10/96/28/537109628.db2.gz VDOJLLYYRIBJPG-JQWIXIFHSA-N 1 0 219.288 1.208 10 0 BDAERO COc1cccc(N2CC[NH2+]C(C)(C)C2)c1 ZINC000058442627 537125722 /nfs/dbraw/zinc/12/57/22/537125722.db2.gz OODSFFNXEWOQHD-UHFFFAOYSA-N 1 0 220.316 1.883 10 0 BDAERO COc1cccc(N2CC[NH2+]CC2)c1OC ZINC000013741462 537126335 /nfs/dbraw/zinc/12/63/35/537126335.db2.gz CHCSADXLBWHWOY-UHFFFAOYSA-N 1 0 222.288 1.113 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)C(C)C ZINC000081980848 537846765 /nfs/dbraw/zinc/84/67/65/537846765.db2.gz OPOFGDQZESRGRS-WDEREUQCSA-N 1 0 233.377 1.730 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000092052847 538002456 /nfs/dbraw/zinc/00/24/56/538002456.db2.gz XYUPCAZEBGBOQP-GXTWGEPZSA-N 1 0 240.391 1.875 10 0 BDAERO CCn1nnc(C[NH2+]C(C)C)c1-c1ccnn1C ZINC000725257174 538061421 /nfs/dbraw/zinc/06/14/21/538061421.db2.gz HZZQIPZDSWHDBQ-UHFFFAOYSA-N 1 0 248.334 1.197 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000725263226 538089583 /nfs/dbraw/zinc/08/95/83/538089583.db2.gz XQEYHHSMSPRKBV-LOWVWBTDSA-N 1 0 239.363 1.472 10 0 BDAERO C[C@H]1CCN(C(=O)/C=C/c2ccccc2)C[C@@H]1[NH3+] ZINC000070146140 566269952 /nfs/dbraw/zinc/26/99/52/566269952.db2.gz YMDMUDVCBYOZJT-FCSZMHKNSA-N 1 0 244.338 1.896 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CCC2(C[NH2+]C2)C1 ZINC000675052891 566412396 /nfs/dbraw/zinc/41/23/96/566412396.db2.gz BWBCHJFZEBQUQC-SNVBAGLBSA-N 1 0 210.321 1.100 10 0 BDAERO Cc1nc(C[NH3+])sc1-c1ncc(C)cn1 ZINC000669380899 566425754 /nfs/dbraw/zinc/42/57/54/566425754.db2.gz RKUCRFVFBAYIHM-UHFFFAOYSA-N 1 0 220.301 1.676 10 0 BDAERO CC(C)(C)OC(=O)[C@H](C[NH3+])C[C@@H]1CCOC1 ZINC000232497960 566491206 /nfs/dbraw/zinc/49/12/06/566491206.db2.gz LYNLEKWJNJVKNX-UWVGGRQHSA-N 1 0 229.320 1.330 10 0 BDAERO CC[NH+](CC)CCn1nc(C)c(N)c1C ZINC000019869421 582458834 /nfs/dbraw/zinc/45/88/34/582458834.db2.gz UITGHLRFECXEBH-UHFFFAOYSA-N 1 0 210.325 1.424 10 0 BDAERO COCCC[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757123821 582498389 /nfs/dbraw/zinc/49/83/89/582498389.db2.gz ASGHMICKALSUMQ-CQSZACIVSA-N 1 0 238.375 1.583 10 0 BDAERO C[C@@H]1C[C@H]1[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757126437 582500639 /nfs/dbraw/zinc/50/06/39/582500639.db2.gz FRMAEGNKRRCBJI-MRVWCRGKSA-N 1 0 220.360 1.955 10 0 BDAERO C[NH+](C)CCN1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129620 582504154 /nfs/dbraw/zinc/50/41/54/582504154.db2.gz MLLAHOHGRLCZAN-CQSZACIVSA-N 1 0 237.391 1.108 10 0 BDAERO CC(C)n1nnc(C[NH3+])c1-c1ccccn1 ZINC000757137714 582516748 /nfs/dbraw/zinc/51/67/48/582516748.db2.gz LYFMANYCWYDLMW-UHFFFAOYSA-N 1 0 217.276 1.380 10 0 BDAERO CC(C)n1nnc(C[NH3+])c1-c1ccoc1 ZINC000757138389 582517754 /nfs/dbraw/zinc/51/77/54/582517754.db2.gz UUBQWCWOBZWGMK-UHFFFAOYSA-N 1 0 206.249 1.578 10 0 BDAERO CN1CC[C@]2(C1)[NH2+][C@@H](c1ccccc1)CCO2 ZINC000757139009 582519230 /nfs/dbraw/zinc/51/92/30/582519230.db2.gz CRONFAWYCWWEFN-KGLIPLIRSA-N 1 0 232.327 1.769 10 0 BDAERO FC(F)[C@@H]1CC[NH2+][C@@]2(CCCOC2)O1 ZINC000757139797 582520372 /nfs/dbraw/zinc/52/03/72/582520372.db2.gz HLVLZDAMFDHHGP-CBAPKCEASA-N 1 0 207.220 1.137 10 0 BDAERO C1CC[C@@H]2COC3(CCOCC3)[NH2+][C@@H]2C1 ZINC000757141747 582522247 /nfs/dbraw/zinc/52/22/47/582522247.db2.gz LDYAHQQENDSNEW-GHMZBOCLSA-N 1 0 211.305 1.672 10 0 BDAERO C1CC[C@H]2[NH2+]C3(CCOCC3)OC[C@@H]2C1 ZINC000757141776 582522639 /nfs/dbraw/zinc/52/26/39/582522639.db2.gz LDYAHQQENDSNEW-WDEREUQCSA-N 1 0 211.305 1.672 10 0 BDAERO FC(F)[C@H]1CCNC2(CC[NH+](C3CC3)CC2)O1 ZINC000757143621 582523928 /nfs/dbraw/zinc/52/39/28/582523928.db2.gz MCVPVTSGQGEDLJ-SNVBAGLBSA-N 1 0 246.301 1.585 10 0 BDAERO c1ccc(C[C@H]2CCO[C@]3(CCC[NH2+]C3)N2)cc1 ZINC000757145147 582527906 /nfs/dbraw/zinc/52/79/06/582527906.db2.gz HYGYADBFCZPILP-CABCVRRESA-N 1 0 246.354 1.687 10 0 BDAERO C1C[C@@]2(CO1)CC[NH2+][C@@]1(CCCOCC1)O2 ZINC000757145488 582528114 /nfs/dbraw/zinc/52/81/14/582528114.db2.gz PERYEYZFNNRCSJ-NEPJUHHUSA-N 1 0 227.304 1.052 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1ncc2ccsc2n1 ZINC000757145755 582528573 /nfs/dbraw/zinc/52/85/73/582528573.db2.gz LVNFWQZQKGLCEH-QMMMGPOBSA-N 1 0 220.301 1.229 10 0 BDAERO CC(C)[C@@H]1C[NH2+][C@]2(CN3CCC2CC3)OC1 ZINC000757146896 582530404 /nfs/dbraw/zinc/53/04/04/582530404.db2.gz LSXCCLSGYOLHQV-DGCLKSJQSA-N 1 0 224.348 1.300 10 0 BDAERO CC1(C)[NH2+]CC(C)(C)[C@@]2(CCCOC2)O1 ZINC000757150478 582535040 /nfs/dbraw/zinc/53/50/40/582535040.db2.gz YHNCXQUWIMQSMH-LBPRGKRZSA-N 1 0 213.321 1.918 10 0 BDAERO CC1(C)C[C@]2(CO1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757151435 582536305 /nfs/dbraw/zinc/53/63/05/582536305.db2.gz ZKPKRFVBPAZTKN-XCBNKYQSSA-N 1 0 221.247 1.525 10 0 BDAERO C[C@@H]1C[NH+]=C(N)N[C@@H]1c1ccccc1F ZINC000235268107 582536754 /nfs/dbraw/zinc/53/67/54/582536754.db2.gz BEDQDSGVWKPQQA-XCBNKYQSSA-N 1 0 207.252 1.421 10 0 BDAERO C1CC1N1CCC2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757152725 582537238 /nfs/dbraw/zinc/53/72/38/582537238.db2.gz UVDBDAQXINCICU-UHFFFAOYSA-N 1 0 236.359 1.874 10 0 BDAERO Cc1cc(C[C@@H]2C[NH2+]C[C@@H]2O)ccc1Cl ZINC000757153759 582538441 /nfs/dbraw/zinc/53/84/41/582538441.db2.gz RNIKJSYTTDNCLJ-PWSUYJOCSA-N 1 0 225.719 1.771 10 0 BDAERO Cc1cc(C[C@]2(O)CC[NH2+]C2)ccc1Cl ZINC000757160393 582544281 /nfs/dbraw/zinc/54/42/81/582544281.db2.gz QTTARLOWVYYXJP-GFCCVEGCSA-N 1 0 225.719 1.915 10 0 BDAERO Cc1ccoc1CS[C@H](C)[C@@H](O)C[NH3+] ZINC000757164790 582546755 /nfs/dbraw/zinc/54/67/55/582546755.db2.gz ISVWIJVUEATUAL-BDAKNGLRSA-N 1 0 215.318 1.529 10 0 BDAERO [NH3+][C@H](CO)CSCc1ccc(Cl)o1 ZINC000757166397 582547671 /nfs/dbraw/zinc/54/76/71/582547671.db2.gz UIQULJUIBMKFFZ-ZCFIWIBFSA-N 1 0 221.709 1.486 10 0 BDAERO C[C@H](SCc1ccc(Cl)o1)[C@@H]([NH3+])C(N)=O ZINC000757171692 582551487 /nfs/dbraw/zinc/55/14/87/582551487.db2.gz VIXANZLJIZANII-YLWLKBPMSA-N 1 0 248.735 1.367 10 0 BDAERO CCCC[C@@H](C)C(=O)NCC1CC([NH3+])C1 ZINC000300887539 582595219 /nfs/dbraw/zinc/59/52/19/582595219.db2.gz HBDDCRMKOGSIDM-KPPDAEKUSA-N 1 0 212.337 1.666 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@@H]2C2CCCCC2)N1 ZINC000235693982 582603306 /nfs/dbraw/zinc/60/33/06/582603306.db2.gz VPMBVTMLAGAMFB-CMPLNLGQSA-N 1 0 221.348 1.989 10 0 BDAERO Cc1nccnc1C(=O)C[C@H]1CCC[NH2+]1 ZINC000235813564 582613261 /nfs/dbraw/zinc/61/32/61/582613261.db2.gz IERYDPOKLIOTIG-SECBINFHSA-N 1 0 205.261 1.110 10 0 BDAERO Cc1cccc([C@@H]2CCNC3=[NH+]CCN32)c1 ZINC000236006717 582635502 /nfs/dbraw/zinc/63/55/02/582635502.db2.gz FWFNPQITTPZXHV-LBPRGKRZSA-N 1 0 215.300 1.701 10 0 BDAERO [NH3+]C[C@@H]1CCn2cc(C(F)(F)F)nc2N1 ZINC000236241039 582642602 /nfs/dbraw/zinc/64/26/02/582642602.db2.gz PHDPEOFIGMXAHP-YFKPBYRVSA-N 1 0 220.198 1.045 10 0 BDAERO CN1CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000257786423 582683344 /nfs/dbraw/zinc/68/33/44/582683344.db2.gz XTYBQXVFELQUNX-LBPRGKRZSA-N 1 0 222.357 1.815 10 0 BDAERO COP(=O)(C[C@@H]1[NH2+]C[C@@H]2CCC[C@H]21)OC ZINC000379789773 582683410 /nfs/dbraw/zinc/68/34/10/582683410.db2.gz YBEZVTZHYUWYRU-AEJSXWLSSA-N 1 0 233.248 1.860 10 0 BDAERO Cc1cc2c(ncnc2N2CC[NH2+]C[C@H]2C)s1 ZINC000104366906 582793114 /nfs/dbraw/zinc/79/31/14/582793114.db2.gz MLICVOSQHJECBY-MRVPVSSYSA-N 1 0 248.355 1.798 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000394581318 582995497 /nfs/dbraw/zinc/99/54/97/582995497.db2.gz ZDCVDLBIRRZREU-QWHCGFSZSA-N 1 0 228.380 1.611 10 0 BDAERO [NH3+][C@@H]1CCO[C@@H]1c1ccnn1CC1CC1 ZINC000399875505 583214668 /nfs/dbraw/zinc/21/46/68/583214668.db2.gz FPVNXBNJCSHELP-KOLCDFICSA-N 1 0 207.277 1.082 10 0 BDAERO Cc1ccnc(N)c1C[N@@H+]1CC[C@H](CCO)C1 ZINC000894031193 583276902 /nfs/dbraw/zinc/27/69/02/583276902.db2.gz QREXEXSSQHVLCT-LLVKDONJSA-N 1 0 235.331 1.177 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CCn1ccc(N)n1 ZINC000234320596 585037092 /nfs/dbraw/zinc/03/70/92/585037092.db2.gz ZRTYUFIKQJXODS-SNVBAGLBSA-N 1 0 208.309 1.340 10 0 BDAERO C[C@H]1CN(Cc2ccc(Cl)nc2)C[C@H]1[NH3+] ZINC000300050452 585501212 /nfs/dbraw/zinc/50/12/12/585501212.db2.gz ZVGSTHVBZWNVSL-WCBMZHEXSA-N 1 0 225.723 1.514 10 0 BDAERO Cc1ccc(-c2cnnn2C)cc1CC[NH3+] ZINC000757569660 586376633 /nfs/dbraw/zinc/37/66/33/586376633.db2.gz YWTMHHHEHOSYID-UHFFFAOYSA-N 1 0 216.288 1.292 10 0 BDAERO Cc1nc([C@H](O)C(F)F)sc1C[NH3+] ZINC000757127536 586425947 /nfs/dbraw/zinc/42/59/47/586425947.db2.gz JCYPJJMQOHGUQE-RXMQYKEDSA-N 1 0 208.233 1.209 10 0 BDAERO CCCC[C@@H]([NH3+])CS(=O)(=O)N(C)CCC ZINC000757152393 586429593 /nfs/dbraw/zinc/42/95/93/586429593.db2.gz LHZXPTGEGHHNEY-SNVBAGLBSA-N 1 0 236.381 1.176 10 0 BDAERO CCN(C)S(=O)(=O)C[C@H]([NH3+])CC(C)(C)C ZINC000757152099 586429715 /nfs/dbraw/zinc/42/97/15/586429715.db2.gz UVCXOFOUFXRRDF-SECBINFHSA-N 1 0 236.381 1.031 10 0 BDAERO C[C@]([NH3+])(CO)CSCc1ccc(Cl)o1 ZINC000757162182 586431736 /nfs/dbraw/zinc/43/17/36/586431736.db2.gz BXOCFCWXBLGMIZ-VIFPVBQESA-N 1 0 235.736 1.876 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@]12CCCSC2 ZINC000757183434 586434019 /nfs/dbraw/zinc/43/40/19/586434019.db2.gz CCVCHBSAXFVROR-KOLCDFICSA-N 1 0 229.345 1.282 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)s1 ZINC000757189493 586435436 /nfs/dbraw/zinc/43/54/36/586435436.db2.gz ODLVSOCGELYTCQ-NXEZZACHSA-N 1 0 239.340 1.923 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(Cl)ccn1 ZINC000757190178 586435587 /nfs/dbraw/zinc/43/55/87/586435587.db2.gz PVJVGGZEMOFADZ-IUCAKERBSA-N 1 0 240.690 1.211 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)o1 ZINC000757191337 586435875 /nfs/dbraw/zinc/43/58/75/586435875.db2.gz UHXZTBSUDHNKDY-RQJHMYQMSA-N 1 0 229.663 1.409 10 0 BDAERO [NH3+]Cc1cccc([C@H]2CC[C@H](C(=O)[O-])C[NH2+]2)c1 ZINC000757206883 586437186 /nfs/dbraw/zinc/43/71/86/586437186.db2.gz AQIWITONUNKAOE-NWDGAFQWSA-N 1 0 234.299 1.271 10 0 BDAERO C[C@@H]1C[C@H](c2ccc(C=O)s2)NC[C@@H]1[NH3+] ZINC000757210646 586438467 /nfs/dbraw/zinc/43/84/67/586438467.db2.gz GMAQZPAKPPXIOM-FKTZTGRPSA-N 1 0 224.329 1.558 10 0 BDAERO CC(=O)c1cccc([C@@H]2CC[C@@H](CN)[NH2+]C2)c1 ZINC000757212323 586439261 /nfs/dbraw/zinc/43/92/61/586439261.db2.gz ICMAVXGLQOLMFT-KGLIPLIRSA-N 1 0 232.327 1.684 10 0 BDAERO [NH3+][C@H]1CCCN[C@H]1c1cccc(C(=O)[O-])c1 ZINC000757215098 586440106 /nfs/dbraw/zinc/44/01/06/586440106.db2.gz MJLHVVUKMNVBAP-QWRGUYRKSA-N 1 0 220.272 1.137 10 0 BDAERO [NH3+]Cc1ccc([C@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)cc1 ZINC000757217144 586441288 /nfs/dbraw/zinc/44/12/88/586441288.db2.gz RITIINJTCYGUIS-RYUDHWBXSA-N 1 0 234.299 1.066 10 0 BDAERO [NH3+]Cc1cccc([C@H]2CC[NH2+][C@@H](C(=O)[O-])C2)c1 ZINC000757220824 586442359 /nfs/dbraw/zinc/44/23/59/586442359.db2.gz ZONSAOILFSZTNA-NWDGAFQWSA-N 1 0 234.299 1.066 10 0 BDAERO [NH3+]Cc1ccc([C@H]2CCC[C@H](C(=O)[O-])[NH2+]2)cc1 ZINC000757220354 586442388 /nfs/dbraw/zinc/44/23/88/586442388.db2.gz YXTBIZVAHKDZGT-VXGBXAGGSA-N 1 0 234.299 1.413 10 0 BDAERO CCn1cc([C@@H]2CC[C@@H]([NH3+])[C@@H](C)N2)cn1 ZINC000757227487 586442522 /nfs/dbraw/zinc/44/25/22/586442522.db2.gz BWDZMHPSVWTBBV-IEBDPFPHSA-N 1 0 208.309 1.043 10 0 BDAERO C[C@@H]1N[C@@H](c2cnn(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000757239477 586444277 /nfs/dbraw/zinc/44/42/77/586444277.db2.gz UINLNCNTUHHCJA-MVWJERBFSA-N 1 0 236.363 1.778 10 0 BDAERO COc1cccc(-c2ccc(C[NH3+])nn2)c1F ZINC000757569605 586462454 /nfs/dbraw/zinc/46/24/54/586462454.db2.gz XZGKPMSRLGIGGY-UHFFFAOYSA-N 1 0 233.246 1.750 10 0 BDAERO C[N@@H+]1CC[C@H](CNC(=O)N2CCCCC2)C1 ZINC000104766692 588026696 /nfs/dbraw/zinc/02/66/96/588026696.db2.gz NGAXAPHNDRUNNH-LLVKDONJSA-N 1 0 225.336 1.134 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(C[C@H]2CCCO2)no1 ZINC000109495549 588563983 /nfs/dbraw/zinc/56/39/83/588563983.db2.gz CDOFYXXJMJLCOQ-NXEZZACHSA-N 1 0 239.319 1.317 10 0 BDAERO [NH3+]Cc1cccc(C(=O)N[C@H]2CCCOC2)c1 ZINC000109542885 588567420 /nfs/dbraw/zinc/56/74/20/588567420.db2.gz NTCVWCAXZYYYTP-LBPRGKRZSA-N 1 0 234.299 1.054 10 0 BDAERO CCSCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000122843545 589638761 /nfs/dbraw/zinc/63/87/61/589638761.db2.gz GJLQYUZJKKCSMK-VHSXEESVSA-N 1 0 231.361 1.480 10 0 BDAERO [NH3+][C@H](CC(=O)N[C@@H]1COc2ccccc21)C1CC1 ZINC000124060427 589919428 /nfs/dbraw/zinc/91/94/28/589919428.db2.gz QHEYOWCFPIZZOC-VXGBXAGGSA-N 1 0 246.310 1.364 10 0 BDAERO [NH3+][C@H](CC(=O)N[C@H]1COc2ccccc21)C1CC1 ZINC000124060628 589919669 /nfs/dbraw/zinc/91/96/69/589919669.db2.gz QHEYOWCFPIZZOC-NEPJUHHUSA-N 1 0 246.310 1.364 10 0 BDAERO COC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000124317352 589974474 /nfs/dbraw/zinc/97/44/74/589974474.db2.gz ZLHDCUFQKSFHJC-VHSXEESVSA-N 1 0 212.293 1.311 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC1OCCO1 ZINC000124527575 590047306 /nfs/dbraw/zinc/04/73/06/590047306.db2.gz ZHSWNKBAZTVFAX-GFCCVEGCSA-N 1 0 242.363 1.166 10 0 BDAERO c1ccc(Cc2noc([C@@H]3CCC[NH2+]3)n2)nc1 ZINC000020558435 590121526 /nfs/dbraw/zinc/12/15/26/590121526.db2.gz ACTQCCIGTIJQPV-JTQLQIEISA-N 1 0 230.271 1.480 10 0 BDAERO C[C@@H](Nc1cncc(Cl)n1)[C@@H]1CCC[NH2+]C1 ZINC000126471222 590315672 /nfs/dbraw/zinc/31/56/72/590315672.db2.gz WLMJGYUUUFEBCG-RKDXNWHRSA-N 1 0 240.738 1.930 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000126472934 590316340 /nfs/dbraw/zinc/31/63/40/590316340.db2.gz PBHVSSLBPZAHDD-MRVPVSSYSA-N 1 0 226.711 1.318 10 0 BDAERO CC(C)C[C@H](C[NH3+])Nc1cncc(Cl)n1 ZINC000126486546 590319733 /nfs/dbraw/zinc/31/97/33/590319733.db2.gz BILPQCXMONBXOZ-MRVPVSSYSA-N 1 0 228.727 1.915 10 0 BDAERO C/C=C\C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000211180354 591144061 /nfs/dbraw/zinc/14/40/61/591144061.db2.gz QIVCOWYKUGTDQP-MEQVVJDKSA-N 1 0 210.321 1.505 10 0 BDAERO CCCNC(=S)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000130400157 591462990 /nfs/dbraw/zinc/46/29/90/591462990.db2.gz KOSYGZYUGHOTFV-VHSXEESVSA-N 1 0 229.393 1.153 10 0 BDAERO CCCCNC(=S)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000130404006 591464268 /nfs/dbraw/zinc/46/42/68/591464268.db2.gz UNYCJXMOTDTWFU-QWRGUYRKSA-N 1 0 243.420 1.543 10 0 BDAERO CCCCNC(=S)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000130404219 591464700 /nfs/dbraw/zinc/46/47/00/591464700.db2.gz UNYCJXMOTDTWFU-MNOVXSKESA-N 1 0 243.420 1.543 10 0 BDAERO CO[C@H](c1noc(CCC[NH3+])n1)C1CC1 ZINC000131259053 591580112 /nfs/dbraw/zinc/58/01/12/591580112.db2.gz CWADWZSZVYWJAA-VIFPVBQESA-N 1 0 211.265 1.058 10 0 BDAERO Cn1cc([C@H]2CCCN2Cc2cncnc2)cn1 ZINC000131807276 591664754 /nfs/dbraw/zinc/66/47/54/591664754.db2.gz ZIQABQQPCWODOY-CYBMUJFWSA-N 1 0 243.314 1.547 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1COc2ccccc21 ZINC000136467955 592128381 /nfs/dbraw/zinc/12/83/81/592128381.db2.gz NUMQLDDWPULUBS-NWDGAFQWSA-N 1 0 248.326 1.610 10 0 BDAERO C[C@@H]1CC[C@@](C[NH3+])(OCCO)[C@H](C)C1 ZINC000300034307 592500426 /nfs/dbraw/zinc/50/04/26/592500426.db2.gz UPKIFUYIEQOSPF-MXWKQRLJSA-N 1 0 201.310 1.149 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C)O2)C[C@@H]1C ZINC000300070884 592502709 /nfs/dbraw/zinc/50/27/09/592502709.db2.gz OQHMNQGRLBYUEH-FIQHERPVSA-N 1 0 241.331 1.295 10 0 BDAERO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000301044832 592526802 /nfs/dbraw/zinc/52/68/02/592526802.db2.gz XTXCHXVWXPPMMT-BDAKNGLRSA-N 1 0 243.738 1.467 10 0 BDAERO C[C@@H]1CN(c2nccnc2Cl)C[C@@H]1[NH+](C)C ZINC000124735224 634433701 /nfs/dbraw/zinc/43/37/01/634433701.db2.gz BWLLPBBYHJFCDR-BDAKNGLRSA-N 1 0 240.738 1.516 10 0 BDAERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000313115514 634452229 /nfs/dbraw/zinc/45/22/29/634452229.db2.gz IFEKRGYBUFSJDN-MXWKQRLJSA-N 1 0 213.321 1.305 10 0 BDAERO [NH3+]CC[C@@H]1CCN(c2ncnc3ccccc32)C1 ZINC000125472147 634510759 /nfs/dbraw/zinc/51/07/59/634510759.db2.gz NCWPYHXJLXZQMA-LLVKDONJSA-N 1 0 242.326 1.805 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCCOC[C@H]1C ZINC000399326163 635240699 /nfs/dbraw/zinc/24/06/99/635240699.db2.gz MHYWCLOVXGFVJW-OLZOCXBDSA-N 1 0 245.363 1.275 10 0 BDAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCNC1=O ZINC000336770975 635287019 /nfs/dbraw/zinc/28/70/19/635287019.db2.gz XEYUFICTLYEZJK-GARJFASQSA-N 1 0 210.321 1.289 10 0 BDAERO CCCCOC(=O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000226081877 635423661 /nfs/dbraw/zinc/42/36/61/635423661.db2.gz FQVKUPHSMKDJQQ-RYUDHWBXSA-N 1 0 242.363 1.212 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000236009873 635592692 /nfs/dbraw/zinc/59/26/92/635592692.db2.gz WAFHNVZARIXIDD-CYBMUJFWSA-N 1 0 242.326 1.864 10 0 BDAERO CCN1CCO[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000078642188 631345073 /nfs/dbraw/zinc/34/50/73/631345073.db2.gz UKYNYUPMMLREKE-OAHLLOKOSA-N 1 0 248.370 1.539 10 0 BDAERO CC(C)C[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000308810125 631663402 /nfs/dbraw/zinc/66/34/02/631663402.db2.gz PWIDYPOATOZCJD-QWRGUYRKSA-N 1 0 217.353 1.390 10 0 BDAERO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000309007930 631801834 /nfs/dbraw/zinc/80/18/34/631801834.db2.gz QNXWALMFDPBSFT-WISYIIOYSA-N 1 0 213.321 1.569 10 0 BDAERO C[NH2+]CCc1noc(CC2CCCCC2)n1 ZINC000051850870 631965428 /nfs/dbraw/zinc/96/54/28/631965428.db2.gz RMBRWAKRVLZNJW-UHFFFAOYSA-N 1 0 223.320 1.954 10 0 BDAERO C[C@@H](C[NH2+]C[C@H](O)c1cccnc1)C1CC1 ZINC000309318677 631991261 /nfs/dbraw/zinc/99/12/61/631991261.db2.gz DQZPPKCSHFXFCR-GWCFXTLKSA-N 1 0 220.316 1.751 10 0 BDAERO CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052009738 632041052 /nfs/dbraw/zinc/04/10/52/632041052.db2.gz ZPFHZMQTZPAPRD-MNOVXSKESA-N 1 0 242.363 1.184 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000161592632 632097930 /nfs/dbraw/zinc/09/79/30/632097930.db2.gz MMEAAQSILHACFF-SNVBAGLBSA-N 1 0 240.734 1.939 10 0 BDAERO COC1CC([NH2+][C@H](C)c2cc(C)on2)C1 ZINC000308902422 632116080 /nfs/dbraw/zinc/11/60/80/632116080.db2.gz BPTKZLCQKPMHNW-XNWIYYODSA-N 1 0 210.277 1.811 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccoc1 ZINC000309101990 632639849 /nfs/dbraw/zinc/63/98/49/632639849.db2.gz GGLDKKQVJRWNPF-PSASIEDQSA-N 1 0 208.261 1.036 10 0 BDAERO C[C@@H]1CN(CCSC(F)(F)F)C[C@@H]1[NH3+] ZINC000235370160 632678947 /nfs/dbraw/zinc/67/89/47/632678947.db2.gz AKSZMSWOCIPIKG-RQJHMYQMSA-N 1 0 228.283 1.518 10 0 BDAERO Cc1ccc(CCC[NH2+][C@H](C)[C@@H](C)O)cn1 ZINC000309915357 632679129 /nfs/dbraw/zinc/67/91/29/632679129.db2.gz OZEPDBYCCFLACT-VXGBXAGGSA-N 1 0 222.332 1.682 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1[nH]nc2ccccc21 ZINC000309981680 632688422 /nfs/dbraw/zinc/68/84/22/632688422.db2.gz WIEUQTLEVMQETM-RKDXNWHRSA-N 1 0 219.288 1.422 10 0 BDAERO Cl/C=C\CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000255679546 632696434 /nfs/dbraw/zinc/69/64/34/632696434.db2.gz XZCOKHJPZFNQQD-GQPNGRKGSA-N 1 0 200.713 1.519 10 0 BDAERO Cc1cc2c(ncnc2N2C[C@@H](C)[C@@H]([NH3+])C2)s1 ZINC000235402423 632697477 /nfs/dbraw/zinc/69/74/77/632697477.db2.gz OIOLBDLCBROPLT-XCBNKYQSSA-N 1 0 248.355 1.783 10 0 BDAERO Cc1nc(-c2noc([C@H]3CC[C@H]([NH3+])C3)n2)co1 ZINC000310089255 632698928 /nfs/dbraw/zinc/69/89/28/632698928.db2.gz CUAMSCINMLGZHD-YUMQZZPRSA-N 1 0 234.259 1.628 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000310340304 632722617 /nfs/dbraw/zinc/72/26/17/632722617.db2.gz NWEHWTPWEZCAEG-WUHRBBMRSA-N 1 0 234.343 1.538 10 0 BDAERO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCCCC1 ZINC000310384814 632734304 /nfs/dbraw/zinc/73/43/04/632734304.db2.gz CEBFJYQUVUYLOD-GFCCVEGCSA-N 1 0 241.379 1.911 10 0 BDAERO Cn1cc([C@@H]2CCCN2C[C@H]2CCC[NH2+]2)cn1 ZINC000310431087 632740774 /nfs/dbraw/zinc/74/07/74/632740774.db2.gz QFHSMHNHMAZUAE-OLZOCXBDSA-N 1 0 234.347 1.309 10 0 BDAERO C[C@H]1CC(C)(C)C[C@]1(C[NH3+])OCCO ZINC000235602364 632796414 /nfs/dbraw/zinc/79/64/14/632796414.db2.gz FPRVMXVFRZPSDE-GXSJLCMTSA-N 1 0 201.310 1.149 10 0 BDAERO C[C@H]1CN(Cc2cnc(Cl)s2)C[C@@H]1[NH3+] ZINC000235678421 632812964 /nfs/dbraw/zinc/81/29/64/632812964.db2.gz PJSIDTDQLZBAGM-XPUUQOCRSA-N 1 0 231.752 1.576 10 0 BDAERO C[C@H](CNC(=O)C1([NH3+])CCOCC1)C(C)(C)C ZINC000162066288 633019947 /nfs/dbraw/zinc/01/99/47/633019947.db2.gz PXCPBKPLJCECCT-SNVBAGLBSA-N 1 0 242.363 1.293 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)c(C)c1 ZINC000166494083 633115798 /nfs/dbraw/zinc/11/57/98/633115798.db2.gz RHSOIEZODKDQCF-GHMZBOCLSA-N 1 0 237.274 1.610 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(C)c1C ZINC000166505326 633116251 /nfs/dbraw/zinc/11/62/51/633116251.db2.gz HLZYAAOPKQCYNB-QWHCGFSZSA-N 1 0 233.311 1.779 10 0 BDAERO O=C(C=C1CCCC1)NC[C@@H]1CC[NH2+]C1 ZINC000309488999 633173924 /nfs/dbraw/zinc/17/39/24/633173924.db2.gz HRZQOGQJEMGVLE-LLVKDONJSA-N 1 0 208.305 1.213 10 0 BDAERO O=C(C=C1CCCC1)NC[C@H]1CC[NH2+]C1 ZINC000309489002 633174851 /nfs/dbraw/zinc/17/48/51/633174851.db2.gz HRZQOGQJEMGVLE-NSHDSACASA-N 1 0 208.305 1.213 10 0 BDAERO COC1CC([NH2+]Cc2ccc(F)nc2C)C1 ZINC000309490129 633177534 /nfs/dbraw/zinc/17/75/34/633177534.db2.gz WVWMELZALGKPJC-UHFFFAOYSA-N 1 0 224.279 1.796 10 0 BDAERO Cc1nsc(N2C[C@H]([NH3+])C(C)(C)C2)n1 ZINC000306984258 635978525 /nfs/dbraw/zinc/97/85/25/635978525.db2.gz UZRZCIRSFYJBOO-ZETCQYMHSA-N 1 0 212.322 1.020 10 0 BDAERO c1csc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000307128216 635983641 /nfs/dbraw/zinc/98/36/41/635983641.db2.gz CYPOSOBYEVGIMU-SECBINFHSA-N 1 0 209.318 1.428 10 0 BDAERO c1ccc2c(c1)C[NH2+]C[C@]1(CCOC1)O2 ZINC000950757446 636081868 /nfs/dbraw/zinc/08/18/68/636081868.db2.gz DTPQOLDZVVITGV-LBPRGKRZSA-N 1 0 205.257 1.328 10 0 BDAERO CC[N@@H+]1CC[C@]2(C1)C[C@@H](O)c1ccccc1O2 ZINC000328170693 633740460 /nfs/dbraw/zinc/74/04/60/633740460.db2.gz KATUXEITHPHPTB-TZMCWYRMSA-N 1 0 233.311 1.967 10 0 BDAERO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCCO1 ZINC000328505427 633772750 /nfs/dbraw/zinc/77/27/50/633772750.db2.gz XNEDIBVFXZHXLM-BHAYOYGOSA-N 1 0 236.359 1.140 10 0 BDAERO CCCc1noc([C@H]2CC23CC[NH2+]CC3)n1 ZINC000308978566 633838460 /nfs/dbraw/zinc/83/84/60/633838460.db2.gz QBEZDWBGFFQQLB-SECBINFHSA-N 1 0 221.304 1.879 10 0 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BDAERO c1ccc([C@@H]2C[C@@H]2N2CCC[NH2+]CC2)cc1 ZINC000044660141 640445766 /nfs/dbraw/zinc/44/57/66/640445766.db2.gz MIUMWYYHESCTFO-KBPBESRZSA-N 1 0 216.328 1.838 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc[nH]1 ZINC000164260942 640460617 /nfs/dbraw/zinc/46/06/17/640460617.db2.gz HWBWFNRGHOIVPQ-MWLCHTKSSA-N 1 0 209.293 1.050 10 0 BDAERO Cc1cnc(-c2noc([C@@H]3C[NH2+]C[C@H]3C)n2)nc1 ZINC000167220580 640705695 /nfs/dbraw/zinc/70/56/95/640705695.db2.gz GWLLJDYNVGMCCI-RKDXNWHRSA-N 1 0 245.286 1.158 10 0 BDAERO [NH3+]CC12CCC(CC1)N2c1ncncc1Cl ZINC000722987207 711493986 /nfs/dbraw/zinc/49/39/86/711493986.db2.gz RQLAZXDHTKDNCU-UHFFFAOYSA-N 1 0 238.722 1.590 10 0 BDAERO CC(C)(C)Cc1noc(C(C)(C)C[NH3+])n1 ZINC000167934620 640764412 /nfs/dbraw/zinc/76/44/12/640764412.db2.gz PBTKBWPFLDHJKT-UHFFFAOYSA-N 1 0 211.309 1.895 10 0 BDAERO C[NH+](C)CCCOc1ncc(N)s1 ZINC000226757286 640792446 /nfs/dbraw/zinc/79/24/46/640792446.db2.gz BERYGFZYCAZOTM-UHFFFAOYSA-N 1 0 201.295 1.056 10 0 BDAERO CO[C@@H](c1noc(C[C@@H]2CCC[NH2+]2)n1)C1CC1 ZINC000227329385 640827759 /nfs/dbraw/zinc/82/77/59/640827759.db2.gz GFQLIBKNEHDPFF-GXSJLCMTSA-N 1 0 237.303 1.462 10 0 BDAERO CO[C@H](c1noc(C[C@H]([NH3+])C(C)C)n1)C1CC1 ZINC000227329865 640827972 /nfs/dbraw/zinc/82/79/72/640827972.db2.gz XVAGHAFEZYLCTE-ONGXEEELSA-N 1 0 239.319 1.693 10 0 BDAERO CC1(c2noc(C[C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000087548612 640922356 /nfs/dbraw/zinc/92/23/56/640922356.db2.gz MPKIKDQLHXXGHU-VIFPVBQESA-N 1 0 221.304 1.663 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(-c2cncs2)no1 ZINC000087575433 640930565 /nfs/dbraw/zinc/93/05/65/640930565.db2.gz BHYHLWKXXMSCHG-SSDOTTSWSA-N 1 0 238.316 1.719 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@@H](C)C2 ZINC000229222505 640934290 /nfs/dbraw/zinc/93/42/90/640934290.db2.gz NZGJNLFCZLUULG-MDZLAQPJSA-N 1 0 225.332 1.965 10 0 BDAERO CC(C)(CO)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000229271866 640941828 /nfs/dbraw/zinc/94/18/28/640941828.db2.gz KFOPQZVZLQLMKA-LLVKDONJSA-N 1 0 227.348 1.839 10 0 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[NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2ccncn2)no1 ZINC000156311448 641605719 /nfs/dbraw/zinc/60/57/19/641605719.db2.gz DRGJMRLMGJZKSM-BDAKNGLRSA-N 1 0 245.286 1.369 10 0 BDAERO CSCC[C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158319964 641630053 /nfs/dbraw/zinc/63/00/53/641630053.db2.gz DNBWBAPJTJGZGH-AEJSXWLSSA-N 1 0 230.377 1.372 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCC1CCC1 ZINC000158805841 641652987 /nfs/dbraw/zinc/65/29/87/641652987.db2.gz RTCJUTCDEQFHLU-NEPJUHHUSA-N 1 0 224.348 1.668 10 0 BDAERO CC(C)(C)[C@@H](O)CNC(=O)CCCCC[NH3+] ZINC000324312654 641695939 /nfs/dbraw/zinc/69/59/39/641695939.db2.gz FKWWLHVLVKRAGK-JTQLQIEISA-N 1 0 230.352 1.029 10 0 BDAERO CC1(C)C[C@H]1c1noc(CC[NH2+]C2CC2)n1 ZINC000232859084 641879557 /nfs/dbraw/zinc/87/95/57/641879557.db2.gz YIGCELULESXBJG-VIFPVBQESA-N 1 0 221.304 1.878 10 0 BDAERO C[C@@H]1C[N@H+](CC2(O)CCCCC2)C[C@H]1CO ZINC000190847780 641892264 /nfs/dbraw/zinc/89/22/64/641892264.db2.gz MTYQIRKCXIYLPR-NEPJUHHUSA-N 1 0 227.348 1.242 10 0 BDAERO 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1.552 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)C1CCCC1 ZINC000711294762 712293279 /nfs/dbraw/zinc/29/32/79/712293279.db2.gz NHSCOTUQOZXIIT-PWSUYJOCSA-N 1 0 238.375 1.927 10 0 BDAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOC1CC1 ZINC000711747187 712323214 /nfs/dbraw/zinc/32/32/14/712323214.db2.gz ZSIXKYQPQOVNPU-CHWSQXEVSA-N 1 0 238.375 1.724 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@@H]1C[C@@H]1C ZINC000711774974 712328841 /nfs/dbraw/zinc/32/88/41/712328841.db2.gz XUFXHQPQVPWXDA-HHHUOAJASA-N 1 0 245.388 1.444 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1Cc1nccn1C1CC1 ZINC000711800664 712332147 /nfs/dbraw/zinc/33/21/47/712332147.db2.gz OZEWBJHKSYEBAP-GXSJLCMTSA-N 1 0 220.320 1.140 10 0 BDAERO COC1CC([NH2+]Cc2nccn2C2CC2)C1 ZINC000711819244 712333444 /nfs/dbraw/zinc/33/34/44/712333444.db2.gz YRDVRDPCLDDBCZ-UHFFFAOYSA-N 1 0 221.304 1.485 10 0 BDAERO C[C@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1[NH3+] ZINC000712079487 712340470 /nfs/dbraw/zinc/34/04/70/712340470.db2.gz ATYBKIRJCYGSKI-PDEGPIFNSA-N 1 0 222.332 1.228 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1CCC2(CCC2)O1 ZINC000712437951 712429644 /nfs/dbraw/zinc/42/96/44/712429644.db2.gz MASLIUIWJNKMAR-RYUDHWBXSA-N 1 0 224.348 1.511 10 0 BDAERO CCCc1nccnc1NC[C@@H]1CC[N@@H+]1CC ZINC000712591546 712435211 /nfs/dbraw/zinc/43/52/11/712435211.db2.gz JMHKGZUCVUELHG-NSHDSACASA-N 1 0 234.347 1.935 10 0 BDAERO CCN1CC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000712549082 712444375 /nfs/dbraw/zinc/44/43/75/712444375.db2.gz QWDYVZGKLATWCJ-CQSZACIVSA-N 1 0 218.344 1.913 10 0 BDAERO CN1CC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000712557944 712445613 /nfs/dbraw/zinc/44/56/13/712445613.db2.gz OYBAKVVHIMTZLB-DDHJBXDOSA-N 1 0 224.348 1.094 10 0 BDAERO Cc1cccc(N(C)C(=O)[C@H]2CO[C@@H](C[NH3+])C2)c1 ZINC000713776490 712472401 /nfs/dbraw/zinc/47/24/01/712472401.db2.gz WLSIALRFWQSSNG-DGCLKSJQSA-N 1 0 248.326 1.322 10 0 BDAERO Cc1ccc(C)c(NC(=O)[C@H]2CO[C@H](C[NH3+])C2)c1 ZINC000713782598 712472523 /nfs/dbraw/zinc/47/25/23/712472523.db2.gz OUTHVKQNBBWGSX-NEPJUHHUSA-N 1 0 248.326 1.606 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)CO1 ZINC000713804507 712473014 /nfs/dbraw/zinc/47/30/14/712473014.db2.gz IVGIBANMPUSXLH-KWQFWETISA-N 1 0 238.262 1.128 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CO1 ZINC000713804506 712473036 /nfs/dbraw/zinc/47/30/36/712473036.db2.gz IVGIBANMPUSXLH-KCJUWKMLSA-N 1 0 238.262 1.128 10 0 BDAERO COCC1CC([NH2+][C@@H](C)c2ccnn2C)C1 ZINC000713916495 712473037 /nfs/dbraw/zinc/47/30/37/712473037.db2.gz JHWUPTPLSNFROO-WHXUTIOJSA-N 1 0 223.320 1.496 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000713926315 712473395 /nfs/dbraw/zinc/47/33/95/712473395.db2.gz FKPNVVYYGCAPLB-KPFVRQRISA-N 1 0 227.348 1.959 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCn3ccnc32)C1 ZINC000713951981 712474559 /nfs/dbraw/zinc/47/45/59/712474559.db2.gz FHRZACYTHNDUJK-VQXHTEKXSA-N 1 0 221.304 1.343 10 0 BDAERO COCC1CC([NH2+]Cc2cncs2)C1 ZINC000713983880 712476274 /nfs/dbraw/zinc/47/62/74/712476274.db2.gz GCMMYDNCVLKYKL-UHFFFAOYSA-N 1 0 212.318 1.658 10 0 BDAERO COCC1CC([NH2+]CC2(SC)CC2)C1 ZINC000713986959 712476559 /nfs/dbraw/zinc/47/65/59/712476559.db2.gz XHLANTBBXSBQPV-UHFFFAOYSA-N 1 0 215.362 1.897 10 0 BDAERO COCC1CC([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000713994988 712477064 /nfs/dbraw/zinc/47/70/64/712477064.db2.gz CRMWFIAPJAVPGA-HACHORDNSA-N 1 0 241.253 1.314 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000714010857 712477334 /nfs/dbraw/zinc/47/73/34/712477334.db2.gz YHMZEOSGNRJCFD-UZEXVOJHSA-N 1 0 213.321 1.569 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc([C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714078010 712477916 /nfs/dbraw/zinc/47/79/16/712477916.db2.gz UGJIAPUMDXMABZ-HXFLIBJXSA-N 1 0 223.276 1.024 10 0 BDAERO C[C@H]1CCCC[C@H]1C(=O)NCC1CC([NH3+])C1 ZINC000714406287 712485110 /nfs/dbraw/zinc/48/51/10/712485110.db2.gz SGXFVFJLOWRFTC-WNYYMSAVSA-N 1 0 224.348 1.666 10 0 BDAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000714441815 712489244 /nfs/dbraw/zinc/48/92/44/712489244.db2.gz CYIOHAHMDGPEPG-OFTGVCEQSA-N 1 0 239.359 1.815 10 0 BDAERO CCC1([NH3+])CCN([C@H]2CCn3ccnc32)CC1 ZINC000714753318 712497126 /nfs/dbraw/zinc/49/71/26/712497126.db2.gz JXCLUCGLXKDRED-NSHDSACASA-N 1 0 234.347 1.531 10 0 BDAERO CCC1([NH3+])CCN(c2ncncc2Cl)CC1 ZINC000714751472 712497192 /nfs/dbraw/zinc/49/71/92/712497192.db2.gz CMTDUAGTWYRLJJ-UHFFFAOYSA-N 1 0 240.738 1.838 10 0 BDAERO CO[C@@H](c1noc([C@@H]2C[C@@H]2C[NH3+])n1)C1CC1 ZINC000714826809 712501022 /nfs/dbraw/zinc/50/10/22/712501022.db2.gz ASRFBIBGIKHHHM-IWSPIJDZSA-N 1 0 223.276 1.229 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CCCC1 ZINC000715084118 712507511 /nfs/dbraw/zinc/50/75/11/712507511.db2.gz OEXMUQDOESSOCT-JEZHCXPESA-N 1 0 246.301 1.521 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cccc(Cl)c2)C1 ZINC000715091064 712507978 /nfs/dbraw/zinc/50/79/78/712507978.db2.gz FMJIGSHEDLWMGN-UHFFFAOYSA-N 1 0 238.718 1.807 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2nc3ccccc3o2)C1 ZINC000715141978 712511881 /nfs/dbraw/zinc/51/18/81/712511881.db2.gz RPHHQWZOSBBRFZ-DTORHVGOSA-N 1 0 217.272 1.977 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715147422 712512318 /nfs/dbraw/zinc/51/23/18/712512318.db2.gz JYGXBAPIFANCPW-MAUMQABQSA-N 1 0 232.274 1.131 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715147423 712512495 /nfs/dbraw/zinc/51/24/95/712512495.db2.gz JYGXBAPIFANCPW-XAVMHZPKSA-N 1 0 232.274 1.131 10 0 BDAERO O=C(N1CC[C@@H]2C[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715401162 712517101 /nfs/dbraw/zinc/51/71/01/712517101.db2.gz IJEXNNYJLHIHFG-RGCMKSIDSA-N 1 0 248.370 1.635 10 0 BDAERO CC1CC(NC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)C1 ZINC000715482334 712520821 /nfs/dbraw/zinc/52/08/21/712520821.db2.gz HOXIQPMGXDSSRD-YFTKGUKSSA-N 1 0 236.359 1.681 10 0 BDAERO O=C(N[C@@H]1CC12CC2)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715553179 712528237 /nfs/dbraw/zinc/52/82/37/712528237.db2.gz YCSXZHFBYVORNZ-JTNHKYCSSA-N 1 0 234.343 1.435 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@@H]1CCCS1 ZINC000715896259 712540647 /nfs/dbraw/zinc/54/06/47/712540647.db2.gz UHOJNJTVVAAMNU-WDEREUQCSA-N 1 0 244.404 1.762 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cn(C)nn1 ZINC000715941220 712544784 /nfs/dbraw/zinc/54/47/84/712544784.db2.gz RHSNLYGZCUTQQO-MMWGEVLESA-N 1 0 220.320 1.512 10 0 BDAERO O=C(NCCCCC1CC1)[C@H]1CC[NH2+]C1 ZINC000716340937 712555431 /nfs/dbraw/zinc/55/54/31/712555431.db2.gz IXEIJIBRLWRBPR-NSHDSACASA-N 1 0 210.321 1.292 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000716449228 712561530 /nfs/dbraw/zinc/56/15/30/712561530.db2.gz XOTVUOAAXBHEMI-VVVXUTRGSA-N 1 0 236.359 1.522 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n1 ZINC000716449605 712561617 /nfs/dbraw/zinc/56/16/17/712561617.db2.gz KDYSIZAKTMLWEE-SQXHDICFSA-N 1 0 221.304 1.891 10 0 BDAERO C[C@H]1CCCC[C@@H]1C[NH2+]C1CC(C(N)=O)C1 ZINC000716684516 712569780 /nfs/dbraw/zinc/56/97/80/712569780.db2.gz OHNXUGMTMRYZLX-DMOGRIERSA-N 1 0 224.348 1.666 10 0 BDAERO COCc1ccc(C[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716731303 712571282 /nfs/dbraw/zinc/57/12/82/712571282.db2.gz KJKYAWAFYRHTTB-UHFFFAOYSA-N 1 0 248.326 1.187 10 0 BDAERO CC[C@H](C[C@@H](C)O)[NH2+]C[C@@H](O)C(C)(C)C ZINC000716886782 712580507 /nfs/dbraw/zinc/58/05/07/712580507.db2.gz RKVDBIOCJYUWQC-GMTAPVOTSA-N 1 0 217.353 1.533 10 0 BDAERO C[C@@H](Nc1nccc2cccnc21)[C@H](C)[NH3+] ZINC000716897709 712581054 /nfs/dbraw/zinc/58/10/54/712581054.db2.gz YWLVUHWJBCWIDE-DTWKUNHWSA-N 1 0 216.288 1.777 10 0 BDAERO Cc1cc(NC[C@@H]2C[NH2+]CCC2(F)F)ncn1 ZINC000717018015 712604651 /nfs/dbraw/zinc/60/46/51/712604651.db2.gz IYHLIKOEIWQATF-VIFPVBQESA-N 1 0 242.273 1.442 10 0 BDAERO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC000717275704 712642219 /nfs/dbraw/zinc/64/22/19/712642219.db2.gz CBZINSVRVIAPDB-HZMBPMFUSA-N 1 0 246.310 1.066 10 0 BDAERO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)O)c1 ZINC000717307365 712646392 /nfs/dbraw/zinc/64/63/92/712646392.db2.gz LIEUNAOCROWYOW-DMDPSCGWSA-N 1 0 223.316 1.387 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H](C)O)cc1C ZINC000717384768 712652979 /nfs/dbraw/zinc/65/29/79/712652979.db2.gz FIIIYWZAMMYAGV-OBJOEFQTSA-N 1 0 237.343 1.696 10 0 BDAERO C[C@H](NC(=O)CC[NH2+]C(C)(C)C)[C@H]1CCCO1 ZINC000037633304 712706768 /nfs/dbraw/zinc/70/67/68/712706768.db2.gz SJFLTEZBHNCEPK-WDEREUQCSA-N 1 0 242.363 1.448 10 0 BDAERO [NH3+]C1CC(Cc2nc(Cc3ccncc3)no2)C1 ZINC000718117301 712744261 /nfs/dbraw/zinc/74/42/61/712744261.db2.gz HQZGYXIZJSUTRM-UHFFFAOYSA-N 1 0 244.298 1.335 10 0 BDAERO CO[C@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000718831667 712784592 /nfs/dbraw/zinc/78/45/92/712784592.db2.gz IKGKACVZNZTEAP-RSJDFQLWSA-N 1 0 240.347 1.188 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1c1ccnc2ncccc12 ZINC000718930567 712788483 /nfs/dbraw/zinc/78/84/83/712788483.db2.gz PCWKNEBZABWYJJ-GXSJLCMTSA-N 1 0 228.299 1.556 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1ccnc2ncccc21 ZINC000718930518 712788607 /nfs/dbraw/zinc/78/86/07/712788607.db2.gz OTLNJYHTRHDGMW-IUCAKERBSA-N 1 0 216.288 1.777 10 0 BDAERO COCC(C)(C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000718942417 712789390 /nfs/dbraw/zinc/78/93/90/712789390.db2.gz MOLHNCMPUVXYDI-GHMZBOCLSA-N 1 0 242.363 1.293 10 0 BDAERO [NH3+]CC[C@H]1CCN(c2ccnc3ncccc23)C1 ZINC000718928135 712789914 /nfs/dbraw/zinc/78/99/14/712789914.db2.gz AUNNGYLLOBVGPM-NSHDSACASA-N 1 0 242.326 1.805 10 0 BDAERO C[C@H]1CN(c2ccnc3ncccc23)CC[C@H]1[NH3+] ZINC000718981527 712790969 /nfs/dbraw/zinc/79/09/69/712790969.db2.gz LGXRANWVHXVGGW-CMPLNLGQSA-N 1 0 242.326 1.803 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccnc2ncccc12 ZINC000718984789 712791464 /nfs/dbraw/zinc/79/14/64/712791464.db2.gz DRJGILVCZHEEJN-NXEZZACHSA-N 1 0 228.299 1.556 10 0 BDAERO C[C@H](C[NH3+])N(C)c1ccnc2ncccc12 ZINC000718988115 712792372 /nfs/dbraw/zinc/79/23/72/712792372.db2.gz YNDCDFHRABSJEI-SECBINFHSA-N 1 0 216.288 1.413 10 0 BDAERO c1ccc(CC[NH2+]C[C@H]2COCCO2)cc1 ZINC000037998083 712798378 /nfs/dbraw/zinc/79/83/78/712798378.db2.gz FUOCYYPILLWTCF-ZDUSSCGKSA-N 1 0 221.300 1.234 10 0 BDAERO O=C(NCc1ncc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000719429676 712807225 /nfs/dbraw/zinc/80/72/25/712807225.db2.gz JYNNWAXUSWELCK-LURJTMIESA-N 1 0 245.735 1.022 10 0 BDAERO C[C@@H]1[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CCN1C ZINC000719603602 712815939 /nfs/dbraw/zinc/81/59/39/712815939.db2.gz UGBWZPLLHRZSNP-VWYCJHECSA-N 1 0 214.353 1.076 10 0 BDAERO C[NH2+]CCN(c1nccn2nc(C)cc12)C(C)C ZINC000720797008 712866592 /nfs/dbraw/zinc/86/65/92/712866592.db2.gz DBICDSMJANSJAO-UHFFFAOYSA-N 1 0 247.346 1.472 10 0 BDAERO Cc1noc2ncnc(N3C[C@H]([NH3+])C(C)(C)C3)c12 ZINC000720830138 712868832 /nfs/dbraw/zinc/86/88/32/712868832.db2.gz YVXQQTBIGYUELK-QMMMGPOBSA-N 1 0 247.302 1.100 10 0 BDAERO Cn1c2ccccc2nc1N1C[C@H]([NH3+])C(C)(C)C1 ZINC000720827677 712869024 /nfs/dbraw/zinc/86/90/24/712869024.db2.gz PTRNCWCAXNLFBQ-LBPRGKRZSA-N 1 0 244.342 1.747 10 0 BDAERO CS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000380314659 712873788 /nfs/dbraw/zinc/87/37/88/712873788.db2.gz ILOJZTAFMRJMSO-NXEZZACHSA-N 1 0 237.340 1.149 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720891576 712874289 /nfs/dbraw/zinc/87/42/89/712874289.db2.gz PGKZSXKAXBMMTG-ITGHMWBKSA-N 1 0 239.359 1.837 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ncncc1Cl ZINC000721087199 712890429 /nfs/dbraw/zinc/89/04/29/712890429.db2.gz FEXREXMLRHYWSF-RKDXNWHRSA-N 1 0 240.738 1.788 10 0 BDAERO COc1cc(NCC[C@@H]2C[NH2+]C[C@H]2C)ncn1 ZINC000721099724 712890716 /nfs/dbraw/zinc/89/07/16/712890716.db2.gz DDIKGJLCEZKEAL-NXEZZACHSA-N 1 0 236.319 1.143 10 0 BDAERO Cc1cc(C)nc(NCC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721098221 712890772 /nfs/dbraw/zinc/89/07/72/712890772.db2.gz SIPWWDUMEKQWNB-BXKDBHETSA-N 1 0 234.347 1.751 10 0 BDAERO CC(C)[C@H](C)NC(=O)CC(C)(C)C[NH3+] ZINC000721145054 712891973 /nfs/dbraw/zinc/89/19/73/712891973.db2.gz CULNQVGBBTTXQR-VIFPVBQESA-N 1 0 200.326 1.522 10 0 BDAERO CCO[C@H]1CCC[C@H]([NH2+]CC2CC(O)C2)C1 ZINC000721170094 712894817 /nfs/dbraw/zinc/89/48/17/712894817.db2.gz XYCICGHHOSTSTO-MVKMKZAISA-N 1 0 227.348 1.695 10 0 BDAERO CC[C@@H](C(=O)[O-])[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000692658888 954706762 /nfs/dbraw/zinc/70/67/62/954706762.db2.gz IRAFHPFUOYXKGG-MNOVXSKESA-N 1 0 228.336 1.266 10 0 BDAERO C[C@H](CC(N)=O)[NH2+][C@H]1c2ccccc2OC1(C)C ZINC000235409992 973849946 /nfs/dbraw/zinc/84/99/46/973849946.db2.gz PAOHOKCSEMTZOW-RNCFNFMXSA-N 1 0 248.326 1.752 10 0 BDAERO CC[N@H+](CC[C@H]1CCC[NH+]1C)C(C)(C)C(=O)[O-] ZINC000692662187 976531976 /nfs/dbraw/zinc/53/19/76/976531976.db2.gz UWCDAHXTTBCXDD-LLVKDONJSA-N 1 0 242.363 1.656 10 0 BDAERO C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1C(=O)[O-] ZINC000692659343 976532352 /nfs/dbraw/zinc/53/23/52/976532352.db2.gz KWGMKNWEYVPRPC-GRYCIOLGSA-N 1 0 240.347 1.123 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)CC(=O)[O-] ZINC000694083544 976666518 /nfs/dbraw/zinc/66/65/18/976666518.db2.gz OEBYZNVNCHTWEL-SNVBAGLBSA-N 1 0 228.336 1.314 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C(C)C)C[C@@H]1[NH2+]C ZINC000685953417 538898032 /nfs/dbraw/zinc/89/80/32/538898032.db2.gz GYRQABIZCYUVHP-SDDRHHMPSA-N 1 0 247.404 1.834 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C(C)C)C[C@H]1[NH2+]C ZINC000685953415 538898173 /nfs/dbraw/zinc/89/81/73/538898173.db2.gz GYRQABIZCYUVHP-QJPTWQEYSA-N 1 0 247.404 1.834 10 0 BDAERO CC(C)[C@@H]1CC[C@H](S(C)(=O)=O)[C@@H]([NH3+])C1 ZINC000685954855 538899937 /nfs/dbraw/zinc/89/99/37/538899937.db2.gz QAYJRUWFMFVGTR-UTLUCORTSA-N 1 0 219.350 1.183 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000685954882 538900014 /nfs/dbraw/zinc/90/00/14/538900014.db2.gz QEUBSBZCUKVLKB-KXUCPTDWSA-N 1 0 219.350 1.185 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC ZINC000685955147 538900623 /nfs/dbraw/zinc/90/06/23/538900623.db2.gz URJPJMXRGKCZBL-IJLUTSLNSA-N 1 0 247.404 1.978 10 0 BDAERO CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1S(C)(=O)=O ZINC000685955158 538900625 /nfs/dbraw/zinc/90/06/25/538900625.db2.gz VAICNMSTAYOGKS-AEJSXWLSSA-N 1 0 219.350 1.198 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C[NH3+])C[C@@H]1C ZINC000685955254 538900894 /nfs/dbraw/zinc/90/08/94/538900894.db2.gz WUMNVZMGNLABRM-HBNTYKKESA-N 1 0 233.377 1.575 10 0 BDAERO CCNCC(F)(F)COCC(F)F ZINC000685956900 538901552 /nfs/dbraw/zinc/90/15/52/538901552.db2.gz JBAMLQOMSGIGBV-UHFFFAOYSA-N 1 0 203.179 1.513 10 0 BDAERO Cc1ccc(OCC(F)(F)CN)cn1 ZINC000685955920 538901614 /nfs/dbraw/zinc/90/16/14/538901614.db2.gz TYSOSUYLBJJZRC-UHFFFAOYSA-N 1 0 202.204 1.363 10 0 BDAERO Cc1ccncc1OCC(F)(F)CN ZINC000685955919 538901884 /nfs/dbraw/zinc/90/18/84/538901884.db2.gz TYGXANMHLBXJLO-UHFFFAOYSA-N 1 0 202.204 1.363 10 0 BDAERO CC(C)NCC(F)(F)CN(C)C1CC1 ZINC000685957632 538904751 /nfs/dbraw/zinc/90/47/51/538904751.db2.gz WCYAZTHMOAUINU-UHFFFAOYSA-N 1 0 206.280 1.714 10 0 BDAERO CC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685962054 538909209 /nfs/dbraw/zinc/90/92/09/538909209.db2.gz SLZNAIGMPXAJOJ-GFCCVEGCSA-N 1 0 206.289 1.035 10 0 BDAERO CC[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000685963513 538910020 /nfs/dbraw/zinc/91/00/20/538910020.db2.gz QYXVBUIFDUKPQS-NSHDSACASA-N 1 0 201.310 1.021 10 0 BDAERO OC[C@@H](CC[NH2+]C1CC1)[C@@H]1CCCOC1 ZINC000685963144 538910250 /nfs/dbraw/zinc/91/02/50/538910250.db2.gz HOVWFTZWQBERRR-GHMZBOCLSA-N 1 0 213.321 1.164 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CC[C@@H]([NH3+])C[C@H]1C ZINC000685953053 538896846 /nfs/dbraw/zinc/89/68/46/538896846.db2.gz FVRWAOLJHSYNTA-BBBLOLIVSA-N 1 0 219.350 1.326 10 0 BDAERO C[C@H](O)CC[NH2+][C@H]1CCc2c1cccc2O ZINC000082993422 349442908 /nfs/dbraw/zinc/44/29/08/349442908.db2.gz SDYLHRHLVMXGKB-CABZTGNLSA-N 1 0 221.300 1.740 10 0 BDAERO Nc1cn(CCOc2ccccc2)cn1 ZINC000685964171 538911174 /nfs/dbraw/zinc/91/11/74/538911174.db2.gz FIQKBRXVXVIDGK-UHFFFAOYSA-N 1 0 203.245 1.544 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@H]1c1cc(F)ccc1F ZINC000685965404 538911900 /nfs/dbraw/zinc/91/19/00/538911900.db2.gz CJUIBUKMBRNWRS-ONGXEEELSA-N 1 0 212.243 1.369 10 0 BDAERO Cc1cnc(N2C[C@H](C[NH3+])C[C@H]2C)nc1C ZINC000395337869 262786767 /nfs/dbraw/zinc/78/67/67/262786767.db2.gz XOYDNWSALPRRAL-KOLCDFICSA-N 1 0 220.320 1.267 10 0 BDAERO CCC[C@H](C(=O)NCCC1CC1)[NH+](C)C ZINC000121689515 490106158 /nfs/dbraw/zinc/10/61/58/490106158.db2.gz UNWJLBFVPDRSDW-LLVKDONJSA-N 1 0 212.337 1.633 10 0 BDAERO CCC(CC)(CO)C[NH+](CCOC)CCOC ZINC000051295520 168327041 /nfs/dbraw/zinc/32/70/41/168327041.db2.gz AQMSGJNBLKHNCH-UHFFFAOYSA-N 1 0 247.379 1.380 10 0 BDAERO CCC(CC)(CO)NC(=O)C1CCC([NH3+])CC1 ZINC000053072183 168328804 /nfs/dbraw/zinc/32/88/04/168328804.db2.gz JZQFLWFMYVNFQM-UHFFFAOYSA-N 1 0 242.363 1.171 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@H](O)c1nccs1 ZINC000161781353 538918704 /nfs/dbraw/zinc/91/87/04/538918704.db2.gz NELPCWOPCOUBNV-APPZFPTMSA-N 1 0 200.307 1.552 10 0 BDAERO [NH3+][C@H]1CC[C@@H](CN=S2(=O)CCCC2)C1 ZINC000307398374 398159816 /nfs/dbraw/zinc/15/98/16/398159816.db2.gz YBCGOEIQHXGRHL-ZJUUUORDSA-N 1 0 216.350 1.376 10 0 BDAERO C[C@@H]1CN[C@](C)([C@@H]2CCC[NH2+]C2)S1 ZINC000575517182 398175115 /nfs/dbraw/zinc/17/51/15/398175115.db2.gz HOQLQMXBLGMHTG-BBBLOLIVSA-N 1 0 200.351 1.427 10 0 BDAERO N#CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000306697933 398176075 /nfs/dbraw/zinc/17/60/75/398176075.db2.gz GPRIWJGJYBMWMX-GJZGRUSLSA-N 1 0 241.338 1.921 10 0 BDAERO Cc1cc(C[C@H](O)C[NH3+])ccc1Br ZINC000071558646 178058148 /nfs/dbraw/zinc/05/81/48/178058148.db2.gz SGQKORUKCROSDX-VIFPVBQESA-N 1 0 244.132 1.620 10 0 BDAERO C[C@@H]1CN[C@@](C)([C@@H]2CCC[NH2+]2)SC1 ZINC000307397149 398160567 /nfs/dbraw/zinc/16/05/67/398160567.db2.gz URURUVSMAJMVIQ-KXUCPTDWSA-N 1 0 200.351 1.427 10 0 BDAERO Fc1ccc(CCN[C@H]2CC[NH2+]C2)cc1F ZINC000258765812 349514192 /nfs/dbraw/zinc/51/41/92/349514192.db2.gz ATUSUPSLVJTMBI-JTQLQIEISA-N 1 0 226.270 1.459 10 0 BDAERO Cc1cc(F)ccc1N1C[C@@H]([NH3+])CC1=O ZINC000035679849 178088108 /nfs/dbraw/zinc/08/81/08/178088108.db2.gz UEEXBQPXMYKUEV-VIFPVBQESA-N 1 0 208.236 1.198 10 0 BDAERO Cc1cc(F)ccc1[C@@H](O)C[NH2+]C1CC1 ZINC000055029325 178091784 /nfs/dbraw/zinc/09/17/84/178091784.db2.gz KGXTYXFKJKUDIQ-LBPRGKRZSA-N 1 0 209.264 1.920 10 0 BDAERO Cc1cc(I)oc1C[NH3+] ZINC000098095778 178094225 /nfs/dbraw/zinc/09/42/25/178094225.db2.gz LCWJIAAOMDADEG-UHFFFAOYSA-N 1 0 237.040 1.651 10 0 BDAERO C[NH2+]C1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000306780143 398195174 /nfs/dbraw/zinc/19/51/74/398195174.db2.gz INZPMCIXDZCVMC-ZETCQYMHSA-N 1 0 210.243 1.621 10 0 BDAERO CC/C=C\CC[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000342203830 365536904 /nfs/dbraw/zinc/53/69/04/365536904.db2.gz FZXNAOSKDXIOCD-QJTIAFMVSA-N 1 0 240.391 1.730 10 0 BDAERO CN(C(=O)OC(C)(C)C)C1CC(C[NH3+])C1 ZINC000536954288 398197894 /nfs/dbraw/zinc/19/78/94/398197894.db2.gz KIYAGGIJXKUTBK-UHFFFAOYSA-N 1 0 214.309 1.591 10 0 BDAERO Cc1cc(N2CCC[NH2+]CC2)ccc1F ZINC000043461284 178114167 /nfs/dbraw/zinc/11/41/67/178114167.db2.gz AKWZWECZYRPZHR-UHFFFAOYSA-N 1 0 208.280 1.934 10 0 BDAERO Cc1cc(N2CC[C@H](C[NH3+])C2)nc(C(C)C)n1 ZINC000050249594 178119199 /nfs/dbraw/zinc/11/91/99/178119199.db2.gz VZEPNHYUKONAMA-LLVKDONJSA-N 1 0 234.347 1.693 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCC(C)(C)C ZINC000380861121 398209376 /nfs/dbraw/zinc/20/93/76/398209376.db2.gz ZOAYPRPPWGYGDN-NXEZZACHSA-N 1 0 248.392 1.174 10 0 BDAERO Cc1cnc([C@@H](C)NC[C@H]2CCC[N@@H+]2C)o1 ZINC000386269911 398204296 /nfs/dbraw/zinc/20/42/96/398204296.db2.gz YYTCCZFITYEGCM-GHMZBOCLSA-N 1 0 223.320 1.728 10 0 BDAERO C(C[C@H]1CCCO1)[NH2+]CCC1CCOCC1 ZINC000380647525 398205426 /nfs/dbraw/zinc/20/54/26/398205426.db2.gz OCVXBWXIOLFQQC-CYBMUJFWSA-N 1 0 227.348 1.962 10 0 BDAERO C[C@H](C[NH2+]C[C@@H]1CN(C)CCO1)C(C)(C)C ZINC000162911838 538925480 /nfs/dbraw/zinc/92/54/80/538925480.db2.gz HUGMCCOOIXVMPY-VXGBXAGGSA-N 1 0 228.380 1.589 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H](C)[C@@H]1C ZINC000380737051 398206993 /nfs/dbraw/zinc/20/69/93/398206993.db2.gz KEKYKFLQKAQKAI-GARJFASQSA-N 1 0 212.337 1.617 10 0 BDAERO CN(Cc1cccc(Cl)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524415 136221670 /nfs/dbraw/zinc/22/16/70/136221670.db2.gz BGNDJZOWNIMLTL-RYUDHWBXSA-N 1 0 240.734 1.105 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]2)ccc1O ZINC000148450338 178145941 /nfs/dbraw/zinc/14/59/41/178145941.db2.gz RFKYGTKEFXVZPR-JTQLQIEISA-N 1 0 220.272 1.391 10 0 BDAERO Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)n[nH]1 ZINC000082260729 178149721 /nfs/dbraw/zinc/14/97/21/178149721.db2.gz RIYCGGYRLJOPKL-UHFFFAOYSA-N 1 0 230.271 1.429 10 0 BDAERO Cc1cc(NC2CC([NH3+])C2)nc(C(C)C)n1 ZINC000036268774 178153406 /nfs/dbraw/zinc/15/34/06/178153406.db2.gz KUFXNBXOOHFJPA-UHFFFAOYSA-N 1 0 220.320 1.810 10 0 BDAERO Cc1cc(NC2CC[NH+](C)CC2)nc(Cl)n1 ZINC000052814338 178154647 /nfs/dbraw/zinc/15/46/47/178154647.db2.gz ZOOZQMWIBXXIAS-UHFFFAOYSA-N 1 0 240.738 1.945 10 0 BDAERO Cc1cc(NCC[NH+](C)C)nc(Cl)n1 ZINC000052814231 178159573 /nfs/dbraw/zinc/15/95/73/178159573.db2.gz NERIVVOEJSMCOM-UHFFFAOYSA-N 1 0 214.700 1.412 10 0 BDAERO COC[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000643512334 398224483 /nfs/dbraw/zinc/22/44/83/398224483.db2.gz IIBUZIXCQHFCKY-SRVKXCTJSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1cc(NC[C@@H]2CCC[C@@H]2O)cc[nH+]1 ZINC000229569325 178167072 /nfs/dbraw/zinc/16/70/72/178167072.db2.gz AROCLFBWHSYBTD-JQWIXIFHSA-N 1 0 206.289 1.963 10 0 BDAERO CCC[C@@H](C(=O)N(C)C[C@H]1CCCO1)[NH+](C)C ZINC000161947477 349520228 /nfs/dbraw/zinc/52/02/28/349520228.db2.gz QGRPRGYATNCODX-NEPJUHHUSA-N 1 0 242.363 1.354 10 0 BDAERO Cc1cc(N[C@@H]2CC[C@@H]([NH+](C)C)C2)ncn1 ZINC000301919873 178182964 /nfs/dbraw/zinc/18/29/64/178182964.db2.gz IUBPGHABBFCBRF-GHMZBOCLSA-N 1 0 220.320 1.680 10 0 BDAERO [NH3+]CC[C@H]1C(=O)Nc2c1cccc2Cl ZINC000020271960 538931022 /nfs/dbraw/zinc/93/10/22/538931022.db2.gz XHRYANDQESDCLY-SSDOTTSWSA-N 1 0 210.664 1.725 10 0 BDAERO Cc1cn[nH]c1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421382943 192325441 /nfs/dbraw/zinc/32/54/41/192325441.db2.gz YZOOJDXUODKLMA-UWVGGRQHSA-N 1 0 209.293 1.063 10 0 BDAERO Cc1cc(OC2CCC([NH3+])CC2)ncn1 ZINC000055143449 178207824 /nfs/dbraw/zinc/20/78/24/178207824.db2.gz PAHJHCSCWHQGSY-UHFFFAOYSA-N 1 0 207.277 1.434 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc(F)ccc1F ZINC000037228289 361757497 /nfs/dbraw/zinc/75/74/97/361757497.db2.gz FTQZNNDAOZOSBO-VIFPVBQESA-N 1 0 215.199 1.528 10 0 BDAERO Cc1cc(Oc2ccccc2)nc(NN)[nH+]1 ZINC000058825433 178215388 /nfs/dbraw/zinc/21/53/88/178215388.db2.gz JMQNXLHMTKGUFN-UHFFFAOYSA-N 1 0 216.244 1.863 10 0 BDAERO Cc1cc(SC[C@H]2CCCC[NH2+]2)n(C)n1 ZINC000052311689 178218124 /nfs/dbraw/zinc/21/81/24/178218124.db2.gz YCVKJOMFCIHRBJ-SNVBAGLBSA-N 1 0 225.361 1.963 10 0 BDAERO Cc1cc([C@@H](C)N2CC[C@@H]([NH3+])C2=O)c(C)s1 ZINC000049649276 178221382 /nfs/dbraw/zinc/22/13/82/178221382.db2.gz IOPODAITHORLEQ-LDYMZIIASA-N 1 0 238.356 1.986 10 0 BDAERO CNc1nnc(S[C@@H]2CCC[C@H]2[NH3+])s1 ZINC000306642661 361774561 /nfs/dbraw/zinc/77/45/61/361774561.db2.gz UJDQNGDTJHTNSV-PHDIDXHHSA-N 1 0 230.362 1.552 10 0 BDAERO CCC[C@H](C(=O)NC[C@@H](C)COC)[NH+](C)C ZINC000179634164 259304691 /nfs/dbraw/zinc/30/46/91/259304691.db2.gz ITWVVLUMXONADC-GHMZBOCLSA-N 1 0 230.352 1.115 10 0 BDAERO COc1ccc(Cl)cc1NC1=[NH+]CCN1 ZINC000165685373 538936670 /nfs/dbraw/zinc/93/66/70/538936670.db2.gz MMHVIDUWGMTXAL-UHFFFAOYSA-N 1 0 225.679 1.720 10 0 BDAERO C[NH+]1CCC(Nc2ccc(N)cn2)CC1 ZINC000037267296 361801177 /nfs/dbraw/zinc/80/11/77/361801177.db2.gz BALJHZFKRMMWOG-UHFFFAOYSA-N 1 0 206.293 1.170 10 0 BDAERO COc1ccc(NC2=[NH+]CCN2)cc1F ZINC000165690497 538937023 /nfs/dbraw/zinc/93/70/23/538937023.db2.gz DRXRJDGAYSNYNU-UHFFFAOYSA-N 1 0 209.224 1.205 10 0 BDAERO Fc1cc(NC2=[NH+]CCN2)ccc1Cl ZINC000165692660 538937040 /nfs/dbraw/zinc/93/70/40/538937040.db2.gz LQFHXWPONIXMMT-UHFFFAOYSA-N 1 0 213.643 1.850 10 0 BDAERO Cc1cc([C@@H]2C[C@@]2(C[NH3+])CO)ccc1F ZINC000070500468 178243444 /nfs/dbraw/zinc/24/34/44/178243444.db2.gz GRYJBZZLCPLQSP-CMPLNLGQSA-N 1 0 209.264 1.559 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@H](C)C(N)=O)ccc1F ZINC000268724462 178256459 /nfs/dbraw/zinc/25/64/59/178256459.db2.gz KFFMQFAWCZJISG-DTWKUNHWSA-N 1 0 224.279 1.659 10 0 BDAERO Cc1cc([C@H]([NH2+]CC2CC2)C(N)=O)ccc1F ZINC000050558964 178262122 /nfs/dbraw/zinc/26/21/22/178262122.db2.gz KTOOLRSDVBYGJX-LBPRGKRZSA-N 1 0 236.290 1.660 10 0 BDAERO Cc1cc([C@H]([NH3+])CO)ccc1Br ZINC000072198654 178262996 /nfs/dbraw/zinc/26/29/96/178262996.db2.gz PKEVZSCQCTWTLB-SECBINFHSA-N 1 0 230.105 1.750 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)[C@H](C)[C@@H]2[NH3+] ZINC000043636413 178286074 /nfs/dbraw/zinc/28/60/74/178286074.db2.gz QMBOWFHMNMWDQZ-KCJUWKMLSA-N 1 0 225.313 1.479 10 0 BDAERO Cc1ccc(-c2nc(CCC[NH3+])no2)cn1 ZINC000054139179 178334209 /nfs/dbraw/zinc/33/42/09/178334209.db2.gz PXKNVLGDQJDVPP-UHFFFAOYSA-N 1 0 218.260 1.331 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccnc1 ZINC000078516170 398259046 /nfs/dbraw/zinc/25/90/46/398259046.db2.gz APGFQPNAFMCLEU-WCQYABFASA-N 1 0 235.331 1.063 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccnc1 ZINC000078516173 398259220 /nfs/dbraw/zinc/25/92/20/398259220.db2.gz APGFQPNAFMCLEU-DGCLKSJQSA-N 1 0 235.331 1.063 10 0 BDAERO Cc1ccc(-n2cc(C[NH3+])nn2)cc1Cl ZINC000050224087 178346127 /nfs/dbraw/zinc/34/61/27/178346127.db2.gz ZDDVTRKWRUFULZ-UHFFFAOYSA-N 1 0 222.679 1.688 10 0 BDAERO C[C@]1(O)CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000381392094 398255273 /nfs/dbraw/zinc/25/52/73/398255273.db2.gz NPUSPNFYDQWGPS-XQQFMLRXSA-N 1 0 227.348 1.384 10 0 BDAERO CCC(CC)N(CCO)C(=O)C[C@H]1CCC[NH2+]1 ZINC000042526142 168371497 /nfs/dbraw/zinc/37/14/97/168371497.db2.gz JWDJEFKMAYEAKE-LLVKDONJSA-N 1 0 242.363 1.138 10 0 BDAERO CC(C)NC(=O)NC[C@H]([NH3+])C(C)(C)C ZINC000324591510 538950797 /nfs/dbraw/zinc/95/07/97/538950797.db2.gz IRZJNQYEXDQKQP-QMMMGPOBSA-N 1 0 201.314 1.067 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000042526168 168374409 /nfs/dbraw/zinc/37/44/09/168374409.db2.gz GGXIWUIUXNQTHK-CMPLNLGQSA-N 1 0 244.379 1.369 10 0 BDAERO Cc1ccc(C(N)=[NH2+])c(N2CCCO[C@H](C)C2)c1 ZINC000061918929 178369485 /nfs/dbraw/zinc/36/94/85/178369485.db2.gz ZAYGXYQLXVGFHG-LLVKDONJSA-N 1 0 247.342 1.894 10 0 BDAERO CCC(CC)[N@H+](CCO)[C@H]1CCCC[C@@H]1O ZINC000042512573 168373825 /nfs/dbraw/zinc/37/38/25/168373825.db2.gz QHMNQUGCYRIQLZ-STQMWFEESA-N 1 0 229.364 1.773 10 0 BDAERO CC1(C)CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000381677831 398269725 /nfs/dbraw/zinc/26/97/25/398269725.db2.gz XOKCFKSOCFFREY-UHFFFAOYSA-N 1 0 222.336 1.953 10 0 BDAERO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000378764564 346828206 /nfs/dbraw/zinc/82/82/06/346828206.db2.gz CJWQDYCIOKGLNZ-GMTAPVOTSA-N 1 0 228.336 1.009 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000082281438 178397146 /nfs/dbraw/zinc/39/71/46/178397146.db2.gz IKPBFQUYPODSPZ-ZDUSSCGKSA-N 1 0 232.327 1.771 10 0 BDAERO COC(=O)CCc1c[nH+]ccc1N(C)C ZINC000259512222 349582088 /nfs/dbraw/zinc/58/20/88/349582088.db2.gz ABMSMNWPECVDPC-UHFFFAOYSA-N 1 0 208.261 1.253 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000378806618 346838548 /nfs/dbraw/zinc/83/85/48/346838548.db2.gz XIXQAZKGYSSLNV-WCBMZHEXSA-N 1 0 224.329 1.491 10 0 BDAERO CCC[C@H](C[NH3+])[C@@H](O)c1ccns1 ZINC000404450615 538955500 /nfs/dbraw/zinc/95/55/00/538955500.db2.gz QYRZKVBHQVFXDY-VXNVDRBHSA-N 1 0 200.307 1.552 10 0 BDAERO [NH3+]CCN1CC[C@H](c2nccc3ccccc32)C1 ZINC000616612991 349594545 /nfs/dbraw/zinc/59/45/45/349594545.db2.gz UZPSRUJJNJYFRS-ZDUSSCGKSA-N 1 0 241.338 1.983 10 0 BDAERO COC1CC([C@@H]2[NH2+]CCc3occc32)C1 ZINC000714509909 538956574 /nfs/dbraw/zinc/95/65/74/538956574.db2.gz ZXPOTDHCICRZFD-KWPJZBAWSA-N 1 0 207.273 1.891 10 0 BDAERO CCOC(=O)C[C@H]1C[C@@H]([NH3+])Cc2ccccc21 ZINC000143990814 342692526 /nfs/dbraw/zinc/69/25/26/342692526.db2.gz YSXADBVBEVTXSE-NEPJUHHUSA-N 1 0 233.311 1.997 10 0 BDAERO Cc1ccc(CC[NH2+]C[C@@H](O)C(C)(C)C)nc1 ZINC000399761522 342741213 /nfs/dbraw/zinc/74/12/13/342741213.db2.gz SKNOYMCZCAVQHV-CYBMUJFWSA-N 1 0 236.359 1.929 10 0 BDAERO C[C@]1(CN=S(C)(C)=O)CCC[NH2+]C1 ZINC000306659902 361868565 /nfs/dbraw/zinc/86/85/65/361868565.db2.gz PPEYRHQKLFCDBV-VIFPVBQESA-N 1 0 204.339 1.104 10 0 BDAERO c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000167780554 361868896 /nfs/dbraw/zinc/86/88/96/361868896.db2.gz XBCUILCEDBJHDI-AWEZNQCLSA-N 1 0 232.327 1.598 10 0 BDAERO COc1cccc2c1C=C(C[C@H]([NH3+])CN)CC2 ZINC000144288818 342728880 /nfs/dbraw/zinc/72/88/80/342728880.db2.gz SZXIIVFTOXYSMF-LBPRGKRZSA-N 1 0 232.327 1.701 10 0 BDAERO CC(=O)Nc1ccc(C)cc1N1CCC([NH3+])CC1 ZINC000145504013 342761643 /nfs/dbraw/zinc/76/16/43/342761643.db2.gz AKWUCWRJOFTNPG-UHFFFAOYSA-N 1 0 247.342 1.881 10 0 BDAERO [NH3+]CC[C@@H](O)c1coc(-c2ccc(F)cc2)n1 ZINC000118346398 342768772 /nfs/dbraw/zinc/76/87/72/342768772.db2.gz SYZBXKGWYYNIAE-LLVKDONJSA-N 1 0 236.246 1.863 10 0 BDAERO CCC(CC)[NH2+]CC(=O)N(C)C(C)C ZINC000020037399 168387686 /nfs/dbraw/zinc/38/76/86/168387686.db2.gz MVSNQXUDGDYQOA-UHFFFAOYSA-N 1 0 200.326 1.631 10 0 BDAERO OCCN1CCC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000309658466 342776997 /nfs/dbraw/zinc/77/69/97/342776997.db2.gz XCEGDPAHYXBSGC-LLVKDONJSA-N 1 0 240.372 1.294 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000039102822 538968628 /nfs/dbraw/zinc/96/86/28/538968628.db2.gz MPTWTCBZSJENGB-VHSXEESVSA-N 1 0 228.336 1.899 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C=C[C@@H]([NH3+])CC1 ZINC000039093649 538968673 /nfs/dbraw/zinc/96/86/73/538968673.db2.gz GDUXFJMJXLLJPW-BDAKNGLRSA-N 1 0 212.293 1.557 10 0 BDAERO Cn1c2ccc(Cl)cc2cc(C[NH3+])c1=O ZINC000258938526 342802000 /nfs/dbraw/zinc/80/20/00/342802000.db2.gz RHKBUANOYOTOMN-UHFFFAOYSA-N 1 0 222.675 1.651 10 0 BDAERO CCSCC[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309678433 342783099 /nfs/dbraw/zinc/78/30/99/342783099.db2.gz YSOXYHDKJSLUKP-CMPLNLGQSA-N 1 0 244.404 1.586 10 0 BDAERO CC1(C)CNC(=O)CN1C[C@H]1CCCC1(F)F ZINC000336272857 342796796 /nfs/dbraw/zinc/79/67/96/342796796.db2.gz FKAQUIHBVRMBGA-SECBINFHSA-N 1 0 246.301 1.632 10 0 BDAERO Cc1ccsc1[C@@H]([NH3+])CS(C)(=O)=O ZINC000069693723 342808853 /nfs/dbraw/zinc/80/88/53/342808853.db2.gz MJIQXQZMDRHZHT-ZETCQYMHSA-N 1 0 219.331 1.101 10 0 BDAERO Cc1cc(NC[C@@H]2CC[C@H](C)[N@H+]2C)ncn1 ZINC000378736251 538973595 /nfs/dbraw/zinc/97/35/95/538973595.db2.gz NDSSCUBZBMRIGI-QWRGUYRKSA-N 1 0 220.320 1.102 10 0 BDAERO C[C@H]1C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)CO1 ZINC000401485582 342828019 /nfs/dbraw/zinc/82/80/19/342828019.db2.gz XCJHRIXIYMAQBQ-SMDDNHRTSA-N 1 0 245.326 1.574 10 0 BDAERO CC(C)[C@@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000380277769 538988699 /nfs/dbraw/zinc/98/86/99/538988699.db2.gz YBDBJKBPAMSFFX-LLVKDONJSA-N 1 0 214.353 1.077 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](O)CC2)C1 ZINC000381976779 398291215 /nfs/dbraw/zinc/29/12/15/398291215.db2.gz ALDWUDUMNXLKJZ-JHJVBQTASA-N 1 0 227.348 1.384 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+]C1CC(C)C1)CC2 ZINC000381462912 539001275 /nfs/dbraw/zinc/00/12/75/539001275.db2.gz KETXCPDOKICOFD-LDGBHUKOSA-N 1 0 220.320 1.289 10 0 BDAERO C[C@]([NH3+])(CO)c1ccc(Br)cn1 ZINC000215894505 398295101 /nfs/dbraw/zinc/29/51/01/398295101.db2.gz XNBQHWRFTQLLAM-QMMMGPOBSA-N 1 0 231.093 1.010 10 0 BDAERO CCC(=O)Nc1nnc(C2CC[NH2+]CC2)s1 ZINC000058232444 539013475 /nfs/dbraw/zinc/01/34/75/539013475.db2.gz XNXXCRWAUXGDBA-UHFFFAOYSA-N 1 0 240.332 1.354 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccncc2Cl)C1 ZINC000381344085 538998832 /nfs/dbraw/zinc/99/88/32/538998832.db2.gz YJZXCJVOXKSKNA-BXKDBHETSA-N 1 0 239.750 1.909 10 0 BDAERO CC(C)c1nc([C@@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000107243905 539020822 /nfs/dbraw/zinc/02/08/22/539020822.db2.gz YMJLDIVXVRQTCG-QMMMGPOBSA-N 1 0 207.277 1.730 10 0 BDAERO CC(C)(C)C[NH2+]C1CCS(=O)CC1 ZINC000042354100 361983561 /nfs/dbraw/zinc/98/35/61/361983561.db2.gz LTBFGEKGYFQWIZ-UHFFFAOYSA-N 1 0 203.351 1.533 10 0 BDAERO CC(C)(C)NC(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000390592355 539026286 /nfs/dbraw/zinc/02/62/86/539026286.db2.gz SQXWRUNJMYDOPV-JTQLQIEISA-N 1 0 227.352 1.474 10 0 BDAERO O=C(C[C@@H]1CSCC[NH2+]1)c1ccccc1 ZINC000226588788 342843538 /nfs/dbraw/zinc/84/35/38/342843538.db2.gz HBHPHBIROFRJKD-LLVKDONJSA-N 1 0 221.325 1.964 10 0 BDAERO [NH3+]Cc1cn(-c2cc(F)c(F)c(F)c2)nn1 ZINC000061122417 398297206 /nfs/dbraw/zinc/29/72/06/398297206.db2.gz NVDJZFHJVAAVLS-UHFFFAOYSA-N 1 0 228.177 1.143 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CC1(F)CC1 ZINC000389351991 539016089 /nfs/dbraw/zinc/01/60/89/539016089.db2.gz OLGZGWQFJDISEC-NXEZZACHSA-N 1 0 201.285 1.629 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007723 398298720 /nfs/dbraw/zinc/29/87/20/398298720.db2.gz OOXKAWJKQWDZKH-WRWORJQWSA-N 1 0 242.269 1.879 10 0 BDAERO CN(Cc1ccc(Br)cc1)C(N)=[NH2+] ZINC000042237953 361973520 /nfs/dbraw/zinc/97/35/20/361973520.db2.gz DXCRIYSAOGCKLM-UHFFFAOYSA-N 1 0 242.120 1.774 10 0 BDAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCNC1=O ZINC000389976602 539019208 /nfs/dbraw/zinc/01/92/08/539019208.db2.gz GALZAEMZYKDSIH-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000071413325 361995739 /nfs/dbraw/zinc/99/57/39/361995739.db2.gz BODBTZYQAJOWLO-SKDRFNHKSA-N 1 0 244.294 1.281 10 0 BDAERO C[C@H]1CC[C@H](C[NH3+])CN1CC(F)(F)F ZINC000042427337 361998022 /nfs/dbraw/zinc/99/80/22/361998022.db2.gz MUKNXUNTTMCGOD-JGVFFNPUSA-N 1 0 210.243 1.608 10 0 BDAERO C[NH2+]C[C@H]1CCO[C@H]1c1csc(C)n1 ZINC000127100389 342846366 /nfs/dbraw/zinc/84/63/66/342846366.db2.gz ONVVJNJPQFKIGU-PSASIEDQSA-N 1 0 212.318 1.749 10 0 BDAERO C[C@H](C[N@@H+]1CCOCC1(C)C)C(N)=S ZINC000042462135 362001493 /nfs/dbraw/zinc/00/14/93/362001493.db2.gz DMGSMDIURQYBMJ-MRVPVSSYSA-N 1 0 216.350 1.019 10 0 BDAERO [NH3+]C1CC(O)(c2sccc2Cl)C1 ZINC000229924883 342855579 /nfs/dbraw/zinc/85/55/79/342855579.db2.gz MEKGTPGKJRYUFX-UHFFFAOYSA-N 1 0 203.694 1.710 10 0 BDAERO CC(C)C1(CNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000232623529 342867957 /nfs/dbraw/zinc/86/79/57/342867957.db2.gz ZVPZLNWLDFPRJH-GFCCVEGCSA-N 1 0 238.375 1.929 10 0 BDAERO CO[C@H](C[NH2+]C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000382111209 398305804 /nfs/dbraw/zinc/30/58/04/398305804.db2.gz KLJNFGMAHDYBHI-JHJVBQTASA-N 1 0 227.348 1.552 10 0 BDAERO Cc1csc(C[C@@H]2CSC[C@H]2[NH3+])n1 ZINC000134572679 342869177 /nfs/dbraw/zinc/86/91/77/342869177.db2.gz ZTIHHQWERWNOKU-HTQZYQBOSA-N 1 0 214.359 1.684 10 0 BDAERO CC[NH2+]C[C@@H]1CCCc2sc(N)nc21 ZINC000233509100 342869478 /nfs/dbraw/zinc/86/94/78/342869478.db2.gz WJIMHMNISOGIAD-ZETCQYMHSA-N 1 0 211.334 1.755 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCC[NH2+]CC2)O1 ZINC000300280507 259326963 /nfs/dbraw/zinc/32/69/63/259326963.db2.gz URUACTNJSAXTJN-GRYCIOLGSA-N 1 0 240.347 1.154 10 0 BDAERO C[C@H](CCCC[NH3+])NC(=O)C1CC(C)C1 ZINC000309765654 342871003 /nfs/dbraw/zinc/87/10/03/342871003.db2.gz JMNQOVTYBQJMAY-HSOILSAZSA-N 1 0 212.337 1.666 10 0 BDAERO Clc1ccsc1N1CC[NH2+]CC1 ZINC000229947195 342858275 /nfs/dbraw/zinc/85/82/75/342858275.db2.gz WLSVAERANLXCHD-UHFFFAOYSA-N 1 0 202.710 1.811 10 0 BDAERO OC[C@@H]1C[N@@H+]([C@H]2C=CCCCCC2)CCO1 ZINC000309135016 342894128 /nfs/dbraw/zinc/89/41/28/342894128.db2.gz DAESNDRTIFZDII-STQMWFEESA-N 1 0 225.332 1.568 10 0 BDAERO CO[C@@H](C)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167317654 136245051 /nfs/dbraw/zinc/24/50/51/136245051.db2.gz OWJBGHVTFLJKPK-VIFPVBQESA-N 1 0 234.299 1.306 10 0 BDAERO C[C@@H]1CCN[C@]2(C[NH2+]C[C@@H](C)C2)S1 ZINC000401700420 342908568 /nfs/dbraw/zinc/90/85/68/342908568.db2.gz ODYHSGVQCQOMID-AEJSXWLSSA-N 1 0 200.351 1.427 10 0 BDAERO Clc1csc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000165293789 342900348 /nfs/dbraw/zinc/90/03/48/342900348.db2.gz AZGSSNGKQWEFDQ-LURJTMIESA-N 1 0 217.725 1.960 10 0 BDAERO [NH3+][C@H]1CCN(c2nc(Cl)cs2)C1 ZINC000165291828 342901101 /nfs/dbraw/zinc/90/11/01/342901101.db2.gz NSAFMTBZDYEJGG-YFKPBYRVSA-N 1 0 203.698 1.334 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000233302514 342902148 /nfs/dbraw/zinc/90/21/48/342902148.db2.gz RPPLXLWRHPCMAD-TUAOUCFPSA-N 1 0 224.348 1.681 10 0 BDAERO C[NH2+][C@@H]1CCN(c2nc(Cl)cs2)C1 ZINC000165337996 342915803 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/nfs/dbraw/zinc/33/72/45/398337245.db2.gz OUNAVTYMLHULMT-WDEREUQCSA-N 1 0 214.378 1.695 10 0 BDAERO C[C@H]1CN(c2ccccc2C=O)C[C@H](C)[NH2+]1 ZINC000116972020 342940308 /nfs/dbraw/zinc/94/03/08/342940308.db2.gz JOBUBUXMMUEWAK-QWRGUYRKSA-N 1 0 218.300 1.686 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc21 ZINC000037566217 398331830 /nfs/dbraw/zinc/33/18/30/398331830.db2.gz RJUKJKBPORQLHC-YPMHNXCESA-N 1 0 232.327 1.570 10 0 BDAERO Cc1n[nH]c(C)c1NC(=O)C1CCC([NH3+])CC1 ZINC000037626276 398333286 /nfs/dbraw/zinc/33/32/86/398333286.db2.gz KQISYOUURHEJMG-UHFFFAOYSA-N 1 0 236.319 1.483 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1ccccc1 ZINC000214353322 259333774 /nfs/dbraw/zinc/33/37/74/259333774.db2.gz WQZHCLNSNACUFV-SKVAFPRGSA-N 1 0 218.300 1.553 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000309062067 529515315 /nfs/dbraw/zinc/51/53/15/529515315.db2.gz XHZZXMQKOGZRTC-UKKRHICBSA-N 1 0 215.337 1.406 10 0 BDAERO COc1c(C)cnc(CSCC[NH3+])c1C ZINC000019844458 342959300 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/nfs/dbraw/zinc/13/58/93/343135893.db2.gz QFGHRQSIHKQGPZ-PHDIDXHHSA-N 1 0 220.135 1.948 10 0 BDAERO OCCc1cccc(N2CCC[NH2+]CC2)c1 ZINC000165393975 343141319 /nfs/dbraw/zinc/14/13/19/343141319.db2.gz WIMLCMBWQKICIC-UHFFFAOYSA-N 1 0 220.316 1.021 10 0 BDAERO CN(c1cccc(N)c1)C1CC[NH+](C)CC1 ZINC000036720271 343143294 /nfs/dbraw/zinc/14/32/94/343143294.db2.gz CONCOFSUOPGFIX-UHFFFAOYSA-N 1 0 219.332 1.799 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc2cc[nH]c21 ZINC000131571981 343183914 /nfs/dbraw/zinc/18/39/14/343183914.db2.gz NCQULZVDSJLYNN-NSHDSACASA-N 1 0 243.310 1.731 10 0 BDAERO COC[C@H](C)CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094434333 343156057 /nfs/dbraw/zinc/15/60/57/343156057.db2.gz MXSSBLODFSUEFT-HZSPNIEDSA-N 1 0 240.391 1.828 10 0 BDAERO CS[C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000122306395 343158829 /nfs/dbraw/zinc/15/88/29/343158829.db2.gz QHMPHZREEMVTQI-UWVGGRQHSA-N 1 0 230.377 1.244 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ncnc3c2CCC3)C1 ZINC000127259156 343172547 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/nfs/dbraw/zinc/36/81/22/343368122.db2.gz CTYHBTBZMATMLT-HTQZYQBOSA-N 1 0 226.711 1.812 10 0 BDAERO CC(C)C[C@@](C)(C[NH3+])N1CCOC(C)(C)C1 ZINC000036232275 187259100 /nfs/dbraw/zinc/25/91/00/187259100.db2.gz PRCGCQZCSJTSHP-ZDUSSCGKSA-N 1 0 228.380 1.861 10 0 BDAERO CC(=O)CC(=O)OCC[NH2+]CCc1ccccc1 ZINC000033604933 187257489 /nfs/dbraw/zinc/25/74/89/187257489.db2.gz PIJYKPHSPKGQGD-UHFFFAOYSA-N 1 0 249.310 1.341 10 0 BDAERO Cc1cnc2c(c1)CCC[C@H]2C1=[NH+]CCN1 ZINC000039109662 343384922 /nfs/dbraw/zinc/38/49/22/343384922.db2.gz KCUJXSAYHPYVMM-LLVKDONJSA-N 1 0 215.300 1.812 10 0 BDAERO C[C@H]([NH3+])CNC(=O)OCc1ccccc1 ZINC000039952284 343393763 /nfs/dbraw/zinc/39/37/63/343393763.db2.gz HVQKTRVTQIMUEL-VIFPVBQESA-N 1 0 208.261 1.260 10 0 BDAERO [NH3+]CC(=O)Cc1cc(Br)cs1 ZINC000167758259 346936079 /nfs/dbraw/zinc/93/60/79/346936079.db2.gz KETHVEMFKKKKDZ-UHFFFAOYSA-N 1 0 234.118 1.581 10 0 BDAERO CC(C)(CO)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000037888294 187260530 /nfs/dbraw/zinc/26/05/30/187260530.db2.gz PVIDOLSHTQVVFL-UWVGGRQHSA-N 1 0 201.310 1.041 10 0 BDAERO CC(C)C[C@H](C)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037807244 187260831 /nfs/dbraw/zinc/26/08/31/187260831.db2.gz JRYBKNMRVGPQKT-NWDGAFQWSA-N 1 0 226.364 1.879 10 0 BDAERO CC(C)(CO)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000037888295 187260884 /nfs/dbraw/zinc/26/08/84/187260884.db2.gz PVIDOLSHTQVVFL-NXEZZACHSA-N 1 0 201.310 1.041 10 0 BDAERO C[C@@H]1COCCN1C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000335699525 136328271 /nfs/dbraw/zinc/32/82/71/136328271.db2.gz JISWKGGNJPLCTB-VXGBXAGGSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)C[NH3+])o1 ZINC000037802627 187261399 /nfs/dbraw/zinc/26/13/99/187261399.db2.gz MXHNGDSNVKTSRP-WCBMZHEXSA-N 1 0 222.288 1.320 10 0 BDAERO CCC[C@@H](C)[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000378473738 136366377 /nfs/dbraw/zinc/36/63/77/136366377.db2.gz PPGDXXSVUBDBDR-KOLCDFICSA-N 1 0 222.336 1.680 10 0 BDAERO CC1(C)CN(C(=O)c2ccccn2)CC[C@H]1[NH3+] ZINC000258981526 136374074 /nfs/dbraw/zinc/37/40/74/136374074.db2.gz DWRKTNRHXWEDBT-LLVKDONJSA-N 1 0 233.315 1.281 10 0 BDAERO COC(=O)CSC[C@H]1CCCC[NH2+]1 ZINC000043495396 343475410 /nfs/dbraw/zinc/47/54/10/343475410.db2.gz QJHOGPBJHSGMTN-MRVPVSSYSA-N 1 0 203.307 1.035 10 0 BDAERO CN(Cc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000043501402 343475755 /nfs/dbraw/zinc/47/57/55/343475755.db2.gz XXQITVYTKDYODP-LBPRGKRZSA-N 1 0 205.305 1.265 10 0 BDAERO [NH3+][C@H](CCO)c1cc(Br)ccc1F ZINC000044233054 343496126 /nfs/dbraw/zinc/49/61/26/343496126.db2.gz CABWQPCVYDYEOE-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO CC(C)C[NH2+][C@@H](C(N)=O)c1ccc(O)cc1 ZINC000037946216 187262204 /nfs/dbraw/zinc/26/22/04/187262204.db2.gz PVUDXPFFGUCTDS-LLVKDONJSA-N 1 0 222.288 1.164 10 0 BDAERO CC(C)C[NH2+][C@@H](C(N)=O)c1ccc(F)c(F)c1 ZINC000037946091 187262348 /nfs/dbraw/zinc/26/23/48/187262348.db2.gz OSNTYSZKXSSVDN-LLVKDONJSA-N 1 0 242.269 1.737 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1ccccc1 ZINC000077487974 187262625 /nfs/dbraw/zinc/26/26/25/187262625.db2.gz MJDUZNNZYSPPBA-JTQLQIEISA-N 1 0 206.289 1.999 10 0 BDAERO OCCN1CCOC[C@H]1c1ccccc1F ZINC000616640162 343528774 /nfs/dbraw/zinc/52/87/74/343528774.db2.gz DUUUFRWSRGARAA-LBPRGKRZSA-N 1 0 225.263 1.191 10 0 BDAERO CCOC(=O)[C@@H]1CC[N@@H+](C(C)C)CCO1 ZINC000616687453 343537080 /nfs/dbraw/zinc/53/70/80/343537080.db2.gz ZAFAMJCSJXYPNK-JTQLQIEISA-N 1 0 215.293 1.049 10 0 BDAERO C1COC2(CC[NH2+]C3(CCCCC3)C2)O1 ZINC000041225737 187264279 /nfs/dbraw/zinc/26/42/79/187264279.db2.gz AMJPTUOOFWSXCT-UHFFFAOYSA-N 1 0 211.305 1.816 10 0 BDAERO N[C@H]([C@@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000047845206 343567202 /nfs/dbraw/zinc/56/72/02/343567202.db2.gz VFHLHVFEVZICPZ-JGVFFNPUSA-N 1 0 204.195 1.576 10 0 BDAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000624236475 343582361 /nfs/dbraw/zinc/58/23/61/343582361.db2.gz DCZRWHPACRDKAK-MROQNXINSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCOC[C@H]1O ZINC000624237434 343583254 /nfs/dbraw/zinc/58/32/54/343583254.db2.gz XUMNKERXJUKYMW-MROQNXINSA-N 1 0 241.375 1.941 10 0 BDAERO Nc1ccc(SC[C@@H]2CCC[NH2+]2)cn1 ZINC000043497562 187266935 /nfs/dbraw/zinc/26/69/35/187266935.db2.gz VXVHXOMIEHLZSR-QMMMGPOBSA-N 1 0 209.318 1.508 10 0 BDAERO NC(=O)CN(c1ccccc1C[NH3+])C1CCCC1 ZINC000042427048 187265583 /nfs/dbraw/zinc/26/55/83/187265583.db2.gz JQDHILGRQDADPV-UHFFFAOYSA-N 1 0 247.342 1.380 10 0 BDAERO CC(=O)CCCC[NH+]1CCC(CC(N)=O)CC1 ZINC000042438179 187266060 /nfs/dbraw/zinc/26/60/60/187266060.db2.gz MKERORLAVJSECK-UHFFFAOYSA-N 1 0 240.347 1.333 10 0 BDAERO C[NH2+]Cc1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000082532146 187266544 /nfs/dbraw/zinc/26/65/44/187266544.db2.gz VJSMOTGTWAQPGQ-UHFFFAOYSA-N 1 0 204.273 1.636 10 0 BDAERO CC(C)N(CC[NH3+])C(=O)NC1CCCCC1 ZINC000041056164 187264506 /nfs/dbraw/zinc/26/45/06/187264506.db2.gz GOEMXAPEORYAQE-UHFFFAOYSA-N 1 0 227.352 1.698 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOC ZINC000086194164 343614533 /nfs/dbraw/zinc/61/45/33/343614533.db2.gz NIBUFOAYJZKPOC-NWDGAFQWSA-N 1 0 212.337 1.191 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2cncnc2)C[C@@H](C)O1 ZINC000282204985 187343550 /nfs/dbraw/zinc/34/35/50/187343550.db2.gz LRBATTNCPJZBGY-GHMZBOCLSA-N 1 0 235.331 1.770 10 0 BDAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCC(N)=S ZINC000051731997 343628785 /nfs/dbraw/zinc/62/87/85/343628785.db2.gz ARHPFUQXUGOUMK-DTWKUNHWSA-N 1 0 200.351 1.783 10 0 BDAERO CCc1nc(C)cc(N(C)CCC[NH3+])n1 ZINC000379799199 343629178 /nfs/dbraw/zinc/62/91/78/343629178.db2.gz MUBLNVZOQMAYEL-UHFFFAOYSA-N 1 0 208.309 1.132 10 0 BDAERO CCC[N@@H+](CC(=O)OC)C[C@H]1CCC[C@@H](O)C1 ZINC000380045218 343672687 /nfs/dbraw/zinc/67/26/87/343672687.db2.gz KJZDEZSDODXDSD-NWDGAFQWSA-N 1 0 243.347 1.423 10 0 BDAERO [NH3+]CCCc1ccnc(Br)c1 ZINC000044281336 187268496 /nfs/dbraw/zinc/26/84/96/187268496.db2.gz BWZNEDHRHQZZBQ-UHFFFAOYSA-N 1 0 215.094 1.735 10 0 BDAERO OCC[NH2+]Cc1cc(O)ccc1Br ZINC000083374678 187268751 /nfs/dbraw/zinc/26/87/51/187268751.db2.gz LGZDHHUYUQHLSF-UHFFFAOYSA-N 1 0 246.104 1.237 10 0 BDAERO C([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)C1CCOCC1 ZINC000087689739 343657643 /nfs/dbraw/zinc/65/76/43/343657643.db2.gz CDSFHUQFJREBEO-UTUOFQBUSA-N 1 0 211.305 1.323 10 0 BDAERO [NH3+]CC1(NCc2ccccc2)CCOCC1 ZINC000083764387 343665204 /nfs/dbraw/zinc/66/52/04/343665204.db2.gz UYICNXWHFHNTCO-UHFFFAOYSA-N 1 0 220.316 1.284 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000339791293 343703003 /nfs/dbraw/zinc/70/30/03/343703003.db2.gz JBZAOEUGWUGWRE-QWHCGFSZSA-N 1 0 245.363 1.011 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000339791294 343703071 /nfs/dbraw/zinc/70/30/71/343703071.db2.gz JBZAOEUGWUGWRE-STQMWFEESA-N 1 0 245.363 1.011 10 0 BDAERO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](CN(C)C)C(C)C ZINC000049205399 187270162 /nfs/dbraw/zinc/27/01/62/187270162.db2.gz LWIMDKGNJWEWTH-RYUDHWBXSA-N 1 0 243.395 1.075 10 0 BDAERO C[NH2+][C@@H]1CCN(Cc2cccc(C)c2)C1=O ZINC000049648858 187270281 /nfs/dbraw/zinc/27/02/81/187270281.db2.gz XOLMUZIJQLMKQA-GFCCVEGCSA-N 1 0 218.300 1.315 10 0 BDAERO COc1ccc(CCN2CC[NH2+]C[C@H](C)C2)cc1 ZINC000049660990 187270286 /nfs/dbraw/zinc/27/02/86/187270286.db2.gz GSIGOGLHJDZEAA-ZDUSSCGKSA-N 1 0 248.370 1.779 10 0 BDAERO CCN1C(=O)C[C@@H]([NH3+])[C@H]1c1cccs1 ZINC000062209165 343737069 /nfs/dbraw/zinc/73/70/69/343737069.db2.gz LWVRQHJQIGJHII-XCBNKYQSSA-N 1 0 210.302 1.369 10 0 BDAERO C[NH2+]Cc1ccc(Cn2nc(C)nc2C)o1 ZINC000052574366 187271709 /nfs/dbraw/zinc/27/17/09/187271709.db2.gz DMTOLRWPEVOXCY-UHFFFAOYSA-N 1 0 220.276 1.256 10 0 BDAERO C[C@@H]1COC[C@H]([C@@H]2CCC(C)(C)C2=O)[NH2+]1 ZINC000124439336 537806655 /nfs/dbraw/zinc/80/66/55/537806655.db2.gz DIXCJYTWOCOUHX-KXUCPTDWSA-N 1 0 211.305 1.369 10 0 BDAERO CSCC[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000380283346 343718744 /nfs/dbraw/zinc/71/87/44/343718744.db2.gz ZLHRTEMQMDNVAL-KOLCDFICSA-N 1 0 230.377 1.196 10 0 BDAERO CC1CC(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000621676599 343719441 /nfs/dbraw/zinc/71/94/41/343719441.db2.gz VABRHWYMQKCKAD-QQFIATSDSA-N 1 0 224.348 1.524 10 0 BDAERO C[C@@H](C[NH3+])Nc1ccc(Br)nc1 ZINC000235107994 343744698 /nfs/dbraw/zinc/74/46/98/343744698.db2.gz KIHARAVGKLFGQY-LURJTMIESA-N 1 0 230.109 1.603 10 0 BDAERO CC(C)NC(=O)[C@H](C)[NH2+]C1(CO)CCCCC1 ZINC000053097280 187271164 /nfs/dbraw/zinc/27/11/64/187271164.db2.gz RWEBFIZCPNBYQX-NSHDSACASA-N 1 0 242.363 1.184 10 0 BDAERO Cc1csc(C[N@@H+]2CC[C@@H](CCO)C2)n1 ZINC000088601726 343727968 /nfs/dbraw/zinc/72/79/68/343727968.db2.gz PKBURDYGMRPLRB-JTQLQIEISA-N 1 0 226.345 1.656 10 0 BDAERO Cc1cc(N)cnc1N[C@@H]1CCC[N@@H+](C)C1 ZINC000052812946 187271468 /nfs/dbraw/zinc/27/14/68/187271468.db2.gz CKYDVAPRHJZPKM-LLVKDONJSA-N 1 0 220.320 1.478 10 0 BDAERO c1ccc(Nc2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000009612199 343771531 /nfs/dbraw/zinc/77/15/31/343771531.db2.gz YPPMXKCAQINJMW-UHFFFAOYSA-N 1 0 226.283 1.866 10 0 BDAERO Cc1nc(C[NH3+])cc(-c2cccs2)n1 ZINC000020388542 343772683 /nfs/dbraw/zinc/77/26/83/343772683.db2.gz YTTNQHVPDUXNEQ-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO COc1ccc(Cc2ncc(C[NH3+])cn2)cc1 ZINC000054855376 187272039 /nfs/dbraw/zinc/27/20/39/187272039.db2.gz DOSMTRSYNHHJNI-UHFFFAOYSA-N 1 0 229.283 1.535 10 0 BDAERO CC[C@H](CC[NH3+])NC(=O)c1cc(C)ccc1O ZINC000054161768 187272046 /nfs/dbraw/zinc/27/20/46/187272046.db2.gz IETXVMPOXFRLNW-SNVBAGLBSA-N 1 0 236.315 1.558 10 0 BDAERO CCN(C)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054894950 187272142 /nfs/dbraw/zinc/27/21/42/187272142.db2.gz VIKRLYZXFPVRAR-SSDOTTSWSA-N 1 0 211.334 1.935 10 0 BDAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336663678 537816949 /nfs/dbraw/zinc/81/69/49/537816949.db2.gz KXGNAYIWDMZNMD-YFKTTZPYSA-N 1 0 224.348 1.678 10 0 BDAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCC[NH2+]1 ZINC000040458700 343784010 /nfs/dbraw/zinc/78/40/10/343784010.db2.gz UEAGUBDTFWOBST-AXFHLTTASA-N 1 0 210.321 1.528 10 0 BDAERO CNc1ccccc1[C@H]1CC[N@H+](CCO)C1 ZINC000616613481 349862676 /nfs/dbraw/zinc/86/26/76/349862676.db2.gz KGLTUKRSJGFLJL-NSHDSACASA-N 1 0 220.316 1.510 10 0 BDAERO CC[NH+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000144198379 343786232 /nfs/dbraw/zinc/78/62/32/343786232.db2.gz HMPGMYIDJPFBRC-GHMZBOCLSA-N 1 0 240.347 1.805 10 0 BDAERO CC(C)(C)OC(=O)N(C1CC1)C1C[NH2+]C1 ZINC000108274860 343786326 /nfs/dbraw/zinc/78/63/26/343786326.db2.gz PLUBWIMGNOFLJH-UHFFFAOYSA-N 1 0 212.293 1.358 10 0 BDAERO [NH3+]Cc1ccn(-c2cc(F)ccc2F)n1 ZINC000082640884 537813970 /nfs/dbraw/zinc/81/39/70/537813970.db2.gz GHFSSIQEOCUWHK-UHFFFAOYSA-N 1 0 209.199 1.609 10 0 BDAERO CCOCCCNc1cc(N)[nH+]c(C2CC2)n1 ZINC000126919530 343787900 /nfs/dbraw/zinc/78/79/00/343787900.db2.gz PLOPQQHRAYTJHD-UHFFFAOYSA-N 1 0 236.319 1.775 10 0 BDAERO [NH3+][C@@H]1CCN(c2cc(-c3ccsc3)[nH]n2)C1 ZINC000129665220 343788359 /nfs/dbraw/zinc/78/83/59/343788359.db2.gz VZPDUZGWVNPQPT-SECBINFHSA-N 1 0 234.328 1.676 10 0 BDAERO CC(C)n1c2ccc(C[NH3+])cc2oc1=O ZINC000082640037 537814279 /nfs/dbraw/zinc/81/42/79/537814279.db2.gz IVHOPJZFDJKCFC-UHFFFAOYSA-N 1 0 206.245 1.634 10 0 BDAERO Cc1ccc2c(c1)CN(CC[NH3+])CCO2 ZINC000213373226 343792146 /nfs/dbraw/zinc/79/21/46/343792146.db2.gz AXQKUEOTDAOAAX-UHFFFAOYSA-N 1 0 206.289 1.148 10 0 BDAERO CCOc1ccc2c(c1)[C@]1(CC[NH2+]C1)C(=O)N2 ZINC000214141411 343792557 /nfs/dbraw/zinc/79/25/57/343792557.db2.gz PIERNQVLDNALOM-CYBMUJFWSA-N 1 0 232.283 1.269 10 0 BDAERO C1CCC(c2nc([C@H]3CC[NH2+]C3)no2)C1 ZINC000214834297 343792638 /nfs/dbraw/zinc/79/26/38/343792638.db2.gz ZVENUPUSKPFFBG-VIFPVBQESA-N 1 0 207.277 1.804 10 0 BDAERO Cn1nc(-c2cccs2)cc1CC[NH3+] ZINC000220252299 343793189 /nfs/dbraw/zinc/79/31/89/343793189.db2.gz GSHAUNSSHOOCCJ-UHFFFAOYSA-N 1 0 207.302 1.650 10 0 BDAERO Cc1ccc(O[C@H]2CC[C@H]([NH3+])CC2)nn1 ZINC000299892497 343796919 /nfs/dbraw/zinc/79/69/19/343796919.db2.gz ZPBBEPDWFVSIPU-MGCOHNPYSA-N 1 0 207.277 1.434 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N1CC[C@H](C(F)(F)F)C1 ZINC000304414075 343797547 /nfs/dbraw/zinc/79/75/47/343797547.db2.gz OODUVXCBICIMKY-YUMQZZPRSA-N 1 0 236.237 1.149 10 0 BDAERO [NH3+]Cc1cn2c(n1)CO[C@H](c1cccs1)C2 ZINC000409427693 343801791 /nfs/dbraw/zinc/80/17/91/343801791.db2.gz KOSKTEBELJFABB-VIFPVBQESA-N 1 0 235.312 1.675 10 0 BDAERO [NH3+]Cc1cn(C2Cc3ccccc3C2)nn1 ZINC000409422444 343813223 /nfs/dbraw/zinc/81/32/23/343813223.db2.gz FDXPDXTVOXBZRY-UHFFFAOYSA-N 1 0 214.272 1.077 10 0 BDAERO c1cc(-c2nc(CC3C[NH2+]C3)no2)cs1 ZINC000409423890 343816229 /nfs/dbraw/zinc/81/62/29/343816229.db2.gz QYUVGPNVPNTNIY-UHFFFAOYSA-N 1 0 221.285 1.560 10 0 BDAERO CCCc1ccc(C(=O)N2CC([NH3+])C2)cc1 ZINC000409423876 343816272 /nfs/dbraw/zinc/81/62/72/343816272.db2.gz QUNHQPYKTDQGOK-UHFFFAOYSA-N 1 0 218.300 1.422 10 0 BDAERO OCCC1CC[NH+](C2CCSCC2)CC1 ZINC000409424960 343817581 /nfs/dbraw/zinc/81/75/81/343817581.db2.gz ZSADJLDDDJOXOA-UHFFFAOYSA-N 1 0 229.389 1.976 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H](C(F)F)C1 ZINC000409425449 343819292 /nfs/dbraw/zinc/81/92/92/343819292.db2.gz FWVVXMDLGBGZQS-IUCAKERBSA-N 1 0 232.274 1.242 10 0 BDAERO COCc1cccc2c1CCN2CCC[NH3+] ZINC000409425601 343819689 /nfs/dbraw/zinc/81/96/89/343819689.db2.gz AWTHHMYGDYAWDY-UHFFFAOYSA-N 1 0 220.316 1.544 10 0 BDAERO CCOC[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000409425492 343819692 /nfs/dbraw/zinc/81/96/92/343819692.db2.gz GEWPEUYMYCYNNJ-NEPJUHHUSA-N 1 0 240.347 1.014 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC[C@H](C(F)F)C1 ZINC000409426188 343822124 /nfs/dbraw/zinc/82/21/24/343822124.db2.gz HTRMNDZIZPCFOX-IUCAKERBSA-N 1 0 232.274 1.100 10 0 BDAERO COC[C@@H]1CN(c2ncccc2N)C[C@H]1C ZINC000409432545 343826888 /nfs/dbraw/zinc/82/68/88/343826888.db2.gz WBBHWJNJZDKDGN-ZJUUUORDSA-N 1 0 221.304 1.383 10 0 BDAERO COC[C@]12C[N@H+](CCN)C[C@@H]1CCCC2 ZINC000409428584 343804239 /nfs/dbraw/zinc/80/42/39/343804239.db2.gz GSMRAJKGWCETMD-RYUDHWBXSA-N 1 0 212.337 1.084 10 0 BDAERO C[C@@H]1CCCN(c2cc(OCC[NH3+])ncn2)C1 ZINC000409429123 343804657 /nfs/dbraw/zinc/80/46/57/343804657.db2.gz BYAOAIQJVURHPD-SNVBAGLBSA-N 1 0 236.319 1.050 10 0 BDAERO Nc1cccnc1N1CC[C@H](C(F)F)C1 ZINC000409430567 343808499 /nfs/dbraw/zinc/80/84/99/343808499.db2.gz QTEMAIKPRDDUJE-ZETCQYMHSA-N 1 0 213.231 1.755 10 0 BDAERO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C(F)F)C1 ZINC000409430724 343809017 /nfs/dbraw/zinc/80/90/17/343809017.db2.gz RDMDTMNRHFFRDH-NXEZZACHSA-N 1 0 246.301 1.490 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@@H](C(F)F)C1 ZINC000409430727 343809382 /nfs/dbraw/zinc/80/93/82/343809382.db2.gz RDMDTMNRHFFRDH-VHSXEESVSA-N 1 0 246.301 1.490 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000238263372 537819725 /nfs/dbraw/zinc/81/97/25/537819725.db2.gz MPTWTCBZSJENGB-ZJUUUORDSA-N 1 0 228.336 1.899 10 0 BDAERO CC(C)(c1noc(CC[NH3+])n1)n1cccc1 ZINC000409441004 343854559 /nfs/dbraw/zinc/85/45/59/343854559.db2.gz NJAUJEDTZAYFSN-UHFFFAOYSA-N 1 0 220.276 1.156 10 0 BDAERO NC(=[NH2+])c1cn(CCF)nc1-c1ccsc1 ZINC000409440929 343854594 /nfs/dbraw/zinc/85/45/94/343854594.db2.gz VWSPEPOAZNHZMZ-UHFFFAOYSA-N 1 0 238.291 1.865 10 0 BDAERO CCn1nc([C@H]2CCC[NH2+]C2)c2c1CCOC2 ZINC000409441115 343854884 /nfs/dbraw/zinc/85/48/84/343854884.db2.gz WMKJOMNELPDCNS-JTQLQIEISA-N 1 0 235.331 1.443 10 0 BDAERO [NH3+]Cc1cncc(N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000409441247 343855428 /nfs/dbraw/zinc/85/54/28/343855428.db2.gz OHQFJAYHRMKPDG-TXEJJXNPSA-N 1 0 217.316 1.777 10 0 BDAERO [NH3+]CCc1c(-c2ccccn2)n[nH]c1C1CC1 ZINC000409441310 343856086 /nfs/dbraw/zinc/85/60/86/343856086.db2.gz QUDRYJIZLPQHCA-UHFFFAOYSA-N 1 0 228.299 1.850 10 0 BDAERO CCO[C@@]1(C(F)(F)F)CC[N@H+](CCO)C1 ZINC000409434494 343832170 /nfs/dbraw/zinc/83/21/70/343832170.db2.gz PLTNGPDSJZENEZ-QMMMGPOBSA-N 1 0 227.226 1.022 10 0 BDAERO CCn1cc(CC(N)=[NH2+])c(C(F)(F)F)n1 ZINC000409436881 343841152 /nfs/dbraw/zinc/84/11/52/343841152.db2.gz BXCSHUITRBLVEX-UHFFFAOYSA-N 1 0 220.198 1.400 10 0 BDAERO [NH3+]CCCn1ccn2nc(C3CCC3)cc12 ZINC000409436905 343841216 /nfs/dbraw/zinc/84/12/16/343841216.db2.gz AEMHGEALSHNVQC-UHFFFAOYSA-N 1 0 218.304 1.752 10 0 BDAERO C[NH2+]CCc1cn(C)nc1-c1ccsc1 ZINC000409436861 343841437 /nfs/dbraw/zinc/84/14/37/343841437.db2.gz BQEDVPCYMOMPDE-UHFFFAOYSA-N 1 0 221.329 1.911 10 0 BDAERO Cn1ccn2nc(C3CCC3)c(C[NH3+])c12 ZINC000409437178 343842190 /nfs/dbraw/zinc/84/21/90/343842190.db2.gz DBCCJVUVYHPIFN-UHFFFAOYSA-N 1 0 204.277 1.399 10 0 BDAERO COC(=O)N1CC[C@@H](c2cccnc2N)C1 ZINC000616613483 349876885 /nfs/dbraw/zinc/87/68/85/349876885.db2.gz RSPRBLPWYYWSCW-MRVPVSSYSA-N 1 0 221.260 1.220 10 0 BDAERO C[NH2+][C@@H]1CCC[C@@H]1c1noc(-c2cccnc2)n1 ZINC000409439042 343846336 /nfs/dbraw/zinc/84/63/36/343846336.db2.gz FZNAVIAINSBNAH-WDEREUQCSA-N 1 0 244.298 1.987 10 0 BDAERO [NH3+]C[C@H](O)c1ccc(N2CCCCC2)o1 ZINC000409439655 343847934 /nfs/dbraw/zinc/84/79/34/343847934.db2.gz HTAIQSFNKBKICR-VIFPVBQESA-N 1 0 210.277 1.262 10 0 BDAERO Cc1[nH]nc(-c2ccoc2)c1CCC(N)=[NH2+] ZINC000409437951 343849451 /nfs/dbraw/zinc/84/94/51/343849451.db2.gz BFBSLVSJUPXZIB-UHFFFAOYSA-N 1 0 218.260 1.847 10 0 BDAERO CN(C)[C@H](C[NH3+])c1ccc(N2CCCCC2)o1 ZINC000409438035 343849495 /nfs/dbraw/zinc/84/94/95/343849495.db2.gz BUVSGWYTDCPFRL-LLVKDONJSA-N 1 0 237.347 1.831 10 0 BDAERO [NH3+]Cc1cccn2c3c(nc12)CCCC3 ZINC000409440224 343851380 /nfs/dbraw/zinc/85/13/80/343851380.db2.gz KBVVKVUMQHDXMN-UHFFFAOYSA-N 1 0 201.273 1.672 10 0 BDAERO CN1C(=O)[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000409440381 343851582 /nfs/dbraw/zinc/85/15/82/343851582.db2.gz KOZJWIOYKHCNLP-VHSXEESVSA-N 1 0 224.691 1.571 10 0 BDAERO CC(C)(C)OC(=O)C[C@]1(O)C[NH+]2CCC1CC2 ZINC000021987014 343851621 /nfs/dbraw/zinc/85/16/21/343851621.db2.gz ZTZWGFUPOGRSKR-ZDUSSCGKSA-N 1 0 241.331 1.175 10 0 BDAERO CC[C@H]1C[C@H](C[NH2+][C@@H]2CCO[C@@H]2C)CCO1 ZINC000381975418 346998049 /nfs/dbraw/zinc/99/80/49/346998049.db2.gz ABZCBMFPFOEOAU-FVCCEPFGSA-N 1 0 227.348 1.959 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOC1CCOCC1 ZINC000625482142 343881796 /nfs/dbraw/zinc/88/17/96/343881796.db2.gz NEBUDOIBGTYMLM-RYUDHWBXSA-N 1 0 243.347 1.027 10 0 BDAERO CCn1nc(-c2ccccn2)c2c1CC[NH2+]C2 ZINC000409441751 343860990 /nfs/dbraw/zinc/86/09/90/343860990.db2.gz ZXUMUIBBYWWKJB-UHFFFAOYSA-N 1 0 228.299 1.611 10 0 BDAERO [NH2+]=C(NO)[C@H](c1cccs1)N1CCOCC1 ZINC000409441833 343861153 /nfs/dbraw/zinc/86/11/53/343861153.db2.gz RNECIWHKGXCKGR-VIFPVBQESA-N 1 0 241.316 1.077 10 0 BDAERO [NH3+]CCc1cc(-c2ccccn2)nn1C(F)F ZINC000409444022 343864009 /nfs/dbraw/zinc/86/40/09/343864009.db2.gz YYFKFEAKSOTZDU-UHFFFAOYSA-N 1 0 238.241 1.841 10 0 BDAERO [NH3+]CCc1cc(-c2cccnc2)nn1C(F)F ZINC000409442906 343865023 /nfs/dbraw/zinc/86/50/23/343865023.db2.gz CXEIYQFHZJQIEB-UHFFFAOYSA-N 1 0 238.241 1.841 10 0 BDAERO c1cc2cccn(CC3CC[NH2+]CC3)c-2n1 ZINC000409443127 343865756 /nfs/dbraw/zinc/86/57/56/343865756.db2.gz HLUUFUAZLABTCD-UHFFFAOYSA-N 1 0 215.300 1.988 10 0 BDAERO NC(=[NH2+])c1cc(-c2cccnc2)nn1CCF ZINC000409443347 343867245 /nfs/dbraw/zinc/86/72/45/343867245.db2.gz LMUGQFBVANYNCV-UHFFFAOYSA-N 1 0 233.250 1.199 10 0 BDAERO CC(C)Cn1nc(-c2cnccn2)cc1C[NH3+] ZINC000409443466 343867290 /nfs/dbraw/zinc/86/72/90/343867290.db2.gz NKXMMVZTIGDQBM-UHFFFAOYSA-N 1 0 231.303 1.455 10 0 BDAERO C[C@H](c1ccc2c(c1)OCO2)N1CC[NH2+]CC1 ZINC000022123254 343906558 /nfs/dbraw/zinc/90/65/58/343906558.db2.gz AOFSDSMWZYOQAB-SNVBAGLBSA-N 1 0 234.299 1.382 10 0 BDAERO C[C@@]1(Nc2ncc(Cl)cn2)CC[NH2+]C1 ZINC000230749982 347018004 /nfs/dbraw/zinc/01/80/04/347018004.db2.gz ZVCUHJWULHWHOS-SECBINFHSA-N 1 0 212.684 1.294 10 0 BDAERO CS[C@@H]1CCC[C@H]1NC1=[NH+]CCS1 ZINC000235268067 343945995 /nfs/dbraw/zinc/94/59/95/343945995.db2.gz WMLURAASGCCWAE-HTQZYQBOSA-N 1 0 216.375 1.963 10 0 BDAERO CC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000020269820 187355905 /nfs/dbraw/zinc/35/59/05/187355905.db2.gz IMJXSICAUVSJBZ-LBPRGKRZSA-N 1 0 246.310 1.827 10 0 BDAERO Nc1ncccc1[C@H]1[NH2+]CCc2ccccc21 ZINC000070321546 343950767 /nfs/dbraw/zinc/95/07/67/343950767.db2.gz NZTRUYQMMXTTIS-ZDUSSCGKSA-N 1 0 225.295 1.899 10 0 BDAERO C[C@H](CO)Nc1cccc(Cl)c1C[NH3+] ZINC000070821512 343956397 /nfs/dbraw/zinc/95/63/97/343956397.db2.gz ROJBNFCNDCTQLH-SSDOTTSWSA-N 1 0 214.696 1.591 10 0 BDAERO CN1CC[C@@H]([NH3+])[C@@H]1c1occc1Br ZINC000234378505 343956858 /nfs/dbraw/zinc/95/68/58/343956858.db2.gz ZIBCGXBRNOEQQO-HTQZYQBOSA-N 1 0 245.120 1.746 10 0 BDAERO COc1cc(C)cc(C)c1[C@@H]([NH3+])CN(C)C ZINC000083266776 187284451 /nfs/dbraw/zinc/28/44/51/187284451.db2.gz JCNJUBOQSNMNFG-NSHDSACASA-N 1 0 222.332 1.873 10 0 BDAERO COc1ccc(C)cc1C[C@@H]([NH3+])c1cnn(C)c1 ZINC000087422918 187286211 /nfs/dbraw/zinc/28/62/11/187286211.db2.gz UZXMRYYCNBUOID-CYBMUJFWSA-N 1 0 245.326 1.980 10 0 BDAERO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068347 187286430 /nfs/dbraw/zinc/28/64/30/187286430.db2.gz QREAMJAQGKCRHI-GHMZBOCLSA-N 1 0 220.320 1.269 10 0 BDAERO COc1ncc(C(F)(F)F)cc1C[NH3+] ZINC000091692963 187286798 /nfs/dbraw/zinc/28/67/98/187286798.db2.gz MOTMPNHSNKXGTE-UHFFFAOYSA-N 1 0 206.167 1.568 10 0 BDAERO C(C[NH2+]CC1CCOCC1)COCC1CC1 ZINC000052175829 187358481 /nfs/dbraw/zinc/35/84/81/187358481.db2.gz AFVVMVVABVSJJT-UHFFFAOYSA-N 1 0 227.348 1.819 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2ccncc2F)C1 ZINC000641304769 362353762 /nfs/dbraw/zinc/35/37/62/362353762.db2.gz UQPRJOWXEHOCFG-JTQLQIEISA-N 1 0 223.295 1.539 10 0 BDAERO C[C@@H]1C[C@@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634740947 344163344 /nfs/dbraw/zinc/16/33/44/344163344.db2.gz NPLXMNUBGJGGHL-DCQANWLSSA-N 1 0 222.332 1.148 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC1CC1 ZINC000616569277 344170182 /nfs/dbraw/zinc/17/01/82/344170182.db2.gz IBRQUUOZMNBMCJ-QWRGUYRKSA-N 1 0 210.321 1.291 10 0 BDAERO O=C(NCc1ccccn1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735946 344124369 /nfs/dbraw/zinc/12/43/69/344124369.db2.gz VSKKIGPFOFYJPT-FZMZJTMJSA-N 1 0 245.326 1.088 10 0 BDAERO C[C@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634735992 344124375 /nfs/dbraw/zinc/12/43/75/344124375.db2.gz WWDYMYAFMUPOGS-OBJOEFQTSA-N 1 0 236.359 1.635 10 0 BDAERO [NH3+][C@@H]1CCN(c2cc(Cl)nnc2Cl)C1 ZINC000127298949 344125133 /nfs/dbraw/zinc/12/51/33/344125133.db2.gz SSJOIXXMQCDYLZ-RXMQYKEDSA-N 1 0 233.102 1.321 10 0 BDAERO CC(C)c1nccc(N2CC[C@H](C[NH3+])C2)n1 ZINC000212411170 344133353 /nfs/dbraw/zinc/13/33/53/344133353.db2.gz OVMHZYCAHNYCAB-SNVBAGLBSA-N 1 0 220.320 1.385 10 0 BDAERO C[C@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634746387 344177166 /nfs/dbraw/zinc/17/71/66/344177166.db2.gz STNZXODQIGRMGM-GVXVVHGQSA-N 1 0 222.332 1.245 10 0 BDAERO CCCN(Cc1ccccc1)C(=O)/C=C\C[NH3+] ZINC000310005287 344155897 /nfs/dbraw/zinc/15/58/97/344155897.db2.gz UNMDIDRGLQKGSM-TWGQIWQCSA-N 1 0 232.327 1.940 10 0 BDAERO COC1(CNC2=[NH+]C[C@@H](C)S2)CCC1 ZINC000234706619 344209682 /nfs/dbraw/zinc/20/96/82/344209682.db2.gz JMVCUFHQXKJXFD-MRVPVSSYSA-N 1 0 214.334 1.636 10 0 BDAERO CCCCOCC[NH2+]Cc1cnn(C)c1C ZINC000086551991 344219001 /nfs/dbraw/zinc/21/90/01/344219001.db2.gz IGPYBAHZDDRVRQ-UHFFFAOYSA-N 1 0 225.336 1.635 10 0 BDAERO CC(C)CSCCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000236736153 187290072 /nfs/dbraw/zinc/29/00/72/187290072.db2.gz JXZQLRVOXQKDRO-LLVKDONJSA-N 1 0 244.404 1.634 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000616571782 344182023 /nfs/dbraw/zinc/18/20/23/344182023.db2.gz NFXWJTZKIVFNKD-QJPTWQEYSA-N 1 0 224.348 1.776 10 0 BDAERO C=CC(=O)N1CCC2(CCCC[C@H]2[NH3+])CC1 ZINC000616572987 344184301 /nfs/dbraw/zinc/18/43/01/344184301.db2.gz VTIJTFGFTYBXBF-LLVKDONJSA-N 1 0 222.332 1.683 10 0 BDAERO CC(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616572915 344185705 /nfs/dbraw/zinc/18/57/05/344185705.db2.gz XLBCADGTZKBGJV-KGLIPLIRSA-N 1 0 246.354 1.904 10 0 BDAERO O=C1CCCC[C@@H]1C[NH+]1CCC(O)CC1 ZINC000060719864 344197874 /nfs/dbraw/zinc/19/78/74/344197874.db2.gz GJIMUFXMJIVTOT-SNVBAGLBSA-N 1 0 211.305 1.202 10 0 BDAERO CO[C@@H]1CCC[C@@]2(C1)[NH2+]C[C@@H](C)S2 ZINC000234763569 344247550 /nfs/dbraw/zinc/24/75/50/344247550.db2.gz AYFDKIPCOCICOE-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO Cc1ccc(C[C@H]([NH3+])c2cnn(C)c2)cc1 ZINC000036925636 178651940 /nfs/dbraw/zinc/65/19/40/178651940.db2.gz QIGOYKULFWNTOZ-ZDUSSCGKSA-N 1 0 215.300 1.971 10 0 BDAERO CCc1cc(N2C[C@H]([NH3+])C[C@H]2C)nc(C)n1 ZINC000384955218 344277998 /nfs/dbraw/zinc/27/79/98/344277998.db2.gz CGEYQZFJFQQWRC-PSASIEDQSA-N 1 0 220.320 1.273 10 0 BDAERO Cc1cnc(N2C[C@@H]([NH3+])C[C@H]2C)nc1C ZINC000385084088 344320807 /nfs/dbraw/zinc/32/08/07/344320807.db2.gz KKIHCZAMSMMHDB-SCZZXKLOSA-N 1 0 206.293 1.019 10 0 BDAERO CC[N@@H+]1CCCC[C@@H]1CNC(F)(F)F ZINC000095091340 344333110 /nfs/dbraw/zinc/33/31/10/344333110.db2.gz QSNWKTHNSGDHMK-MRVPVSSYSA-N 1 0 210.243 1.970 10 0 BDAERO CC(C)Oc1cncc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385183153 344365977 /nfs/dbraw/zinc/36/59/77/344365977.db2.gz JOSWEEOTOYVJNK-ZJUUUORDSA-N 1 0 236.319 1.190 10 0 BDAERO [NH3+][C@@H]1C[C@H]1c1occc1Br ZINC000236308072 344354607 /nfs/dbraw/zinc/35/46/07/344354607.db2.gz XRNFERKGTFFQOC-INEUFUBQSA-N 1 0 202.051 1.857 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1ncnc2ccsc21 ZINC000385158064 344355759 /nfs/dbraw/zinc/35/57/59/344355759.db2.gz AKIGAEWWAZXGRW-YUMQZZPRSA-N 1 0 234.328 1.617 10 0 BDAERO CCn1ccnc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084230377 344360831 /nfs/dbraw/zinc/36/08/31/344360831.db2.gz FRJRXFPSNVIRBU-QWRGUYRKSA-N 1 0 223.320 1.154 10 0 BDAERO [NH3+]CCCNc1ccc(C(F)(F)F)nn1 ZINC000132493581 344301687 /nfs/dbraw/zinc/30/16/87/344301687.db2.gz VDHIPHCVVITJTR-UHFFFAOYSA-N 1 0 220.198 1.256 10 0 BDAERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)on1 ZINC000247516363 344303400 /nfs/dbraw/zinc/30/34/00/344303400.db2.gz WIFTYCDGMORZLN-MNOVXSKESA-N 1 0 249.314 1.292 10 0 BDAERO CC(=O)N[C@H](C)c1ccc(OC2C[NH2+]C2)cc1 ZINC000218013749 344432773 /nfs/dbraw/zinc/43/27/73/344432773.db2.gz AOEGJQHZCCDGOW-SECBINFHSA-N 1 0 234.299 1.234 10 0 BDAERO CC(C)c1nsc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385218822 344377376 /nfs/dbraw/zinc/37/73/76/344377376.db2.gz GLIDGTGKCLYGBZ-YUMQZZPRSA-N 1 0 226.349 1.587 10 0 BDAERO C[C@H]1CN(c2ncnc3ccccc32)C[C@H]1[NH3+] ZINC000300049664 344380641 /nfs/dbraw/zinc/38/06/41/344380641.db2.gz UEZAGQMLSMZFLY-GXSJLCMTSA-N 1 0 228.299 1.413 10 0 BDAERO C[C@@H]1C[C@@H](NC2=[NH+]C[C@@H](C)S2)CO1 ZINC000402136917 344434091 /nfs/dbraw/zinc/43/40/91/344434091.db2.gz IVXFUEOCZKGGPG-BWZBUEFSSA-N 1 0 200.307 1.245 10 0 BDAERO C[C@H](N[C@H]1CCCC[C@H]1[NH3+])c1ccc[nH]1 ZINC000247722394 344386488 /nfs/dbraw/zinc/38/64/88/344386488.db2.gz BNGCEMOQZAFMLM-UMNHJUIQSA-N 1 0 207.321 1.935 10 0 BDAERO CCc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000634812123 344397637 /nfs/dbraw/zinc/39/76/37/344397637.db2.gz ALLMMYZRLADTTQ-VHSXEESVSA-N 1 0 220.320 1.070 10 0 BDAERO CC(C)C[C@H](CN)[N@@H+]1CCCSCC1 ZINC000042443760 187291372 /nfs/dbraw/zinc/29/13/72/187291372.db2.gz UOQDUWGJXRFQBG-LLVKDONJSA-N 1 0 216.394 1.799 10 0 BDAERO CCc1nnc2n1C[C@@H]([NH2+]CC1CC1)CC2 ZINC000381436470 344505439 /nfs/dbraw/zinc/50/54/39/344505439.db2.gz CVALKXAAXRLMKR-JTQLQIEISA-N 1 0 220.320 1.155 10 0 BDAERO C[NH2+]CC1CCN(C(=O)C2CC(C)C2)CC1 ZINC000564941290 344474803 /nfs/dbraw/zinc/47/48/03/344474803.db2.gz KXOHDEOPRGYCFW-UHFFFAOYSA-N 1 0 224.348 1.491 10 0 BDAERO CSCCC[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000381404453 344501667 /nfs/dbraw/zinc/50/16/67/344501667.db2.gz SBCAVYVLGJGMPJ-PWSUYJOCSA-N 1 0 244.404 1.586 10 0 BDAERO Cc1nn(C)c(C[C@](C)(F)C[NH3+])c1Cl ZINC000158249768 344572010 /nfs/dbraw/zinc/57/20/10/344572010.db2.gz CULAISFUSIECTE-VIFPVBQESA-N 1 0 219.691 1.611 10 0 BDAERO O=C([C@@H]1CCC[NH2+]C1)N1CC2CCC1CC2 ZINC000381634602 344527971 /nfs/dbraw/zinc/52/79/71/344527971.db2.gz NTIHOCGXQLRUSQ-MOENNCHZSA-N 1 0 222.332 1.387 10 0 BDAERO F[C@@]1([C@H]2CCCCC[NH2+]2)CCCNC1 ZINC000158092947 344542067 /nfs/dbraw/zinc/54/20/67/344542067.db2.gz MGKHDXJIYFGYIR-MNOVXSKESA-N 1 0 200.301 1.610 10 0 BDAERO CNc1cc(Br)cc(C[NH3+])c1 ZINC000227592423 344565869 /nfs/dbraw/zinc/56/58/69/344565869.db2.gz MPOOSYHYHKAPEV-UHFFFAOYSA-N 1 0 215.094 1.950 10 0 BDAERO Cc1nc[nH]c1C[NH2+][C@@H]1CCCSC1 ZINC000220674792 344567907 /nfs/dbraw/zinc/56/79/07/344567907.db2.gz PNIFIJDCIQWIDW-SECBINFHSA-N 1 0 211.334 1.703 10 0 BDAERO C(CN1CCCSCC1)[NH2+]C1CCCC1 ZINC000042444856 187291723 /nfs/dbraw/zinc/29/17/23/187291723.db2.gz KSDBDFBPQLGLGU-UHFFFAOYSA-N 1 0 228.405 1.958 10 0 BDAERO [NH3+]Cc1cccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000396118179 344607533 /nfs/dbraw/zinc/60/75/33/344607533.db2.gz YSMWOWJAFISNTA-UHFFFAOYSA-N 1 0 236.149 1.952 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCSC1)c1nnc[nH]1 ZINC000230426998 344655939 /nfs/dbraw/zinc/65/59/39/344655939.db2.gz XCLDVSDQFUPIIQ-YUMQZZPRSA-N 1 0 212.322 1.351 10 0 BDAERO CN[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000050269885 344666841 /nfs/dbraw/zinc/66/68/41/344666841.db2.gz NZUIVJRPPWUUIJ-SECBINFHSA-N 1 0 234.221 1.804 10 0 BDAERO CCCn1cnnc1[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104194219 187292273 /nfs/dbraw/zinc/29/22/73/187292273.db2.gz KDSFQJIEGIFHIG-SECBINFHSA-N 1 0 248.252 1.482 10 0 BDAERO CC(C)(C)[C@@](F)(CN)[C@H]1CCCC[NH2+]1 ZINC000158376171 344630023 /nfs/dbraw/zinc/63/00/23/344630023.db2.gz OAHNZWQJNVJYKT-MWLCHTKSSA-N 1 0 202.317 1.842 10 0 BDAERO CC(C)[N@H+](CCCO)[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000042498995 187292007 /nfs/dbraw/zinc/29/20/07/187292007.db2.gz LZKJVCCIPWTQKN-BFHYXJOUSA-N 1 0 242.407 1.843 10 0 BDAERO C[C@@H]1CCSC[C@H]([C@@H]2CCOC2)[NH2+]1 ZINC000158683791 344721082 /nfs/dbraw/zinc/72/10/82/344721082.db2.gz ZSTMLSYDSNSYTL-OPRDCNLKSA-N 1 0 201.335 1.507 10 0 BDAERO C[C@@H]1CC[NH2+][C@H]([C@@H]2CCOC2)CS1 ZINC000158693886 344726326 /nfs/dbraw/zinc/72/63/26/344726326.db2.gz FTKFAXTYSLWXPW-BBBLOLIVSA-N 1 0 201.335 1.507 10 0 BDAERO CC[C@H]1CN(c2ccc(F)cn2)CC[C@H]1[NH3+] ZINC000251810037 487535583 /nfs/dbraw/zinc/53/55/83/487535583.db2.gz ONKGBBBPFGYBOM-GXSJLCMTSA-N 1 0 223.295 1.784 10 0 BDAERO C[C@@]1([C@@H]2[NH2+]CCc3nc[nH]c32)CCCS1 ZINC000400393944 537855112 /nfs/dbraw/zinc/85/51/12/537855112.db2.gz NQYQXSYNPWOKLK-MNOVXSKESA-N 1 0 223.345 1.882 10 0 BDAERO CCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300066393 344700620 /nfs/dbraw/zinc/70/06/20/344700620.db2.gz WZDDLXKUYZNMNW-CLLJXQQHSA-N 1 0 238.375 1.833 10 0 BDAERO CC(C)Oc1cc(OCC[NH+](C)C)ccc1N ZINC000117647820 344749474 /nfs/dbraw/zinc/74/94/74/344749474.db2.gz SFNBPUZXTSTMOS-UHFFFAOYSA-N 1 0 238.331 1.996 10 0 BDAERO Cc1nnc(NC[C@@H]2CC[C@@H]([NH3+])C2)s1 ZINC000227642743 344709940 /nfs/dbraw/zinc/70/99/40/344709940.db2.gz MQNCBWNLRBIUMZ-HTQZYQBOSA-N 1 0 212.322 1.386 10 0 BDAERO O=[S@@]1CCC[NH2+][C@H](C2CCCC2)C1 ZINC000158680606 344716357 /nfs/dbraw/zinc/71/63/57/344716357.db2.gz XQEWAWKDLXJLGF-GWCFXTLKSA-N 1 0 201.335 1.287 10 0 BDAERO Cc1nn([C@@H](C)C(N)=[NH2+])c(C)c1Br ZINC000050593437 344717127 /nfs/dbraw/zinc/71/71/27/344717127.db2.gz NCUCRABNUWCJPC-LURJTMIESA-N 1 0 245.124 1.759 10 0 BDAERO CSC1([C@@H]2[NH2+]CCc3nc[nH]c32)CCC1 ZINC000400409347 537855592 /nfs/dbraw/zinc/85/55/92/537855592.db2.gz RSYSLULZEPFQDN-SNVBAGLBSA-N 1 0 223.345 1.882 10 0 BDAERO CSC1(CN2CC[NH2+]C[C@@H]2C)CCC1 ZINC000235053839 344753810 /nfs/dbraw/zinc/75/38/10/344753810.db2.gz KVGVXBXVMUGLKC-JTQLQIEISA-N 1 0 214.378 1.566 10 0 BDAERO CSC1(CN2CC[NH2+]C[C@H]2C)CC1 ZINC000235054076 344753889 /nfs/dbraw/zinc/75/38/89/344753889.db2.gz YZHPHQYFVBUBIC-SECBINFHSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@H]1CSCCN1c1nc(C[NH3+])co1 ZINC000166163152 344754455 /nfs/dbraw/zinc/75/44/55/344754455.db2.gz MEWLSFWCTQKLQI-ZETCQYMHSA-N 1 0 213.306 1.075 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1nccc2occc21 ZINC000336521401 347076896 /nfs/dbraw/zinc/07/68/96/347076896.db2.gz PXENNNFSNJGAGT-YUMQZZPRSA-N 1 0 205.261 1.975 10 0 BDAERO CC(C)[N@H+](CCNc1ncccn1)C1CC1 ZINC000076924760 344808101 /nfs/dbraw/zinc/80/81/01/344808101.db2.gz RAUSEGNCXIFAOL-UHFFFAOYSA-N 1 0 220.320 1.761 10 0 BDAERO CS[C@@H]1CCCC[C@H]1[NH+]1CCNCC1 ZINC000235151301 344819602 /nfs/dbraw/zinc/81/96/02/344819602.db2.gz WIXIRZCPYYNCAS-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H](N)c1nnc([N-]c2ccsc2)o1 ZINC000235167841 344832537 /nfs/dbraw/zinc/83/25/37/344832537.db2.gz AGZVYHKGNWRWIB-RXMQYKEDSA-N 1 0 210.262 1.894 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1ccc(F)c(C)c1 ZINC000050544397 344845713 /nfs/dbraw/zinc/84/57/13/344845713.db2.gz OOAXGRDPYILEEL-SNVBAGLBSA-N 1 0 211.236 1.697 10 0 BDAERO C[C@@H]1SCC[C@@H]1N1CCC[C@@H]([NH3+])C1 ZINC000235301134 344879637 /nfs/dbraw/zinc/87/96/37/344879637.db2.gz NQUUWWUYQZIXLO-AEJSXWLSSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@@H]1SCC[C@H]1N(C)[C@@H]1CC[NH2+]C1 ZINC000235366239 344894306 /nfs/dbraw/zinc/89/43/06/344894306.db2.gz TWZBQOMMMCJLTK-IVZWLZJFSA-N 1 0 200.351 1.174 10 0 BDAERO OC[C@@H](Nc1ccccn1)c1ccco1 ZINC000078672453 344895886 /nfs/dbraw/zinc/89/58/86/344895886.db2.gz WEOKIJCMKKIEDD-SECBINFHSA-N 1 0 204.229 1.820 10 0 BDAERO CCC[NH2+][C@H](C)c1cn(Cc2ccncc2)nn1 ZINC000310946311 344896579 /nfs/dbraw/zinc/89/65/79/344896579.db2.gz MLVJRDJRUWXZHZ-LLVKDONJSA-N 1 0 245.330 1.782 10 0 BDAERO Cc1nc(NC[C@H](C)[NH3+])ccc1Br ZINC000235488998 344923929 /nfs/dbraw/zinc/92/39/29/344923929.db2.gz OWPUZMJEUPBGLT-LURJTMIESA-N 1 0 244.136 1.912 10 0 BDAERO [NH3+]CC1([C@H](O)[C@@H]2CCSC2)CCC1 ZINC000224722973 344981864 /nfs/dbraw/zinc/98/18/64/344981864.db2.gz RRFNQPRFPNOXPG-RKDXNWHRSA-N 1 0 201.335 1.229 10 0 BDAERO [NH3+][C@H](CCO)c1cc(F)cc(F)c1F ZINC000044233119 344988605 /nfs/dbraw/zinc/98/86/05/344988605.db2.gz CAERTEUYSLGWSL-MRVPVSSYSA-N 1 0 205.179 1.486 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000145899052 344990496 /nfs/dbraw/zinc/99/04/96/344990496.db2.gz GAUAJZGRSIDKSX-VHSXEESVSA-N 1 0 244.294 1.553 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000044251681 344994778 /nfs/dbraw/zinc/99/47/78/344994778.db2.gz BJOLOTFEAKDPBQ-MRVPVSSYSA-N 1 0 233.098 1.869 10 0 BDAERO C[NH+](C)[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000248118204 345045823 /nfs/dbraw/zinc/04/58/23/345045823.db2.gz MGWVTGRKKDEHIA-GJZGRUSLSA-N 1 0 248.370 1.431 10 0 BDAERO NNc1cc(NCc2ccccc2)cc[nH+]1 ZINC000227682383 345020092 /nfs/dbraw/zinc/02/00/92/345020092.db2.gz YFKUXEOSYQKNGA-UHFFFAOYSA-N 1 0 214.272 1.979 10 0 BDAERO C[C@H](N[C@H]1CCCC[C@H]1[NH3+])c1cnccn1 ZINC000248091258 345036814 /nfs/dbraw/zinc/03/68/14/345036814.db2.gz VLJHWKMPVUHAHI-AXFHLTTASA-N 1 0 220.320 1.397 10 0 BDAERO C[C@@H]1C[C@]2(CO1)[NH2+]CCc1sccc12 ZINC000401682363 537887024 /nfs/dbraw/zinc/88/70/24/537887024.db2.gz WAPXSVUZWKLJMH-LDYMZIIASA-N 1 0 209.314 1.898 10 0 BDAERO [NH3+]CCNc1nc(-c2ccco2)cs1 ZINC000238590210 345083677 /nfs/dbraw/zinc/08/36/77/345083677.db2.gz VCUBOLZCKDUMDP-UHFFFAOYSA-N 1 0 209.274 1.774 10 0 BDAERO Cc1ncc(C[NH3+])cc1OC(F)(F)F ZINC000238472282 345054557 /nfs/dbraw/zinc/05/45/57/345054557.db2.gz HOSKUCDBQUWNMX-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO CC[C@@H]([NH3+])Cc1c(Br)cnn1C ZINC000044402200 345055689 /nfs/dbraw/zinc/05/56/89/345055689.db2.gz DINDOULTRCROPN-ZCFIWIBFSA-N 1 0 232.125 1.462 10 0 BDAERO Cc1ncc(OC(F)(F)F)cc1C[NH3+] ZINC000238485257 345058475 /nfs/dbraw/zinc/05/84/75/345058475.db2.gz BBAOMQLVCGLIFX-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO CCn1cnnc1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000155984582 345117492 /nfs/dbraw/zinc/11/74/92/345117492.db2.gz BXPOJVPYVNVMFK-GFCCVEGCSA-N 1 0 234.347 1.887 10 0 BDAERO OC[C@]1(c2cccc(Cl)c2)CC[NH2+]C1 ZINC000238697306 345112318 /nfs/dbraw/zinc/11/23/18/345112318.db2.gz CTEPEXNRRNOSBK-NSHDSACASA-N 1 0 211.692 1.563 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)C(C)C ZINC000634955539 345126572 /nfs/dbraw/zinc/12/65/72/345126572.db2.gz JQLCLWYAFSEJPV-NEPJUHHUSA-N 1 0 247.404 1.978 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156184041 345132608 /nfs/dbraw/zinc/13/26/08/345132608.db2.gz SAUHQKILTFIOJY-MFKMUULPSA-N 1 0 232.327 1.886 10 0 BDAERO Cc1cn2c([nH+]1)N[C@H](C)C[C@H]2C(F)F ZINC000720942917 537892369 /nfs/dbraw/zinc/89/23/69/537892369.db2.gz ZBRKEOIDIWMZEM-VDTYLAMSSA-N 1 0 201.220 1.535 10 0 BDAERO CC(C)n1cc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634998811 345199551 /nfs/dbraw/zinc/19/95/51/345199551.db2.gz LJQTWUQROAZAOH-AAEUAGOBSA-N 1 0 236.363 1.491 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@@H]1[NH3+] ZINC000235690226 345212105 /nfs/dbraw/zinc/21/21/05/345212105.db2.gz PYVJLTZOXOLFRZ-ZANVPECISA-N 1 0 246.310 1.136 10 0 BDAERO Cc1cn2c([nH+]1)N[C@@H](C)C[C@H]2C(F)F ZINC000720942914 537892671 /nfs/dbraw/zinc/89/26/71/537892671.db2.gz ZBRKEOIDIWMZEM-FSPLSTOPSA-N 1 0 201.220 1.535 10 0 BDAERO CC(=O)CCN1CCO[C@H](c2ccc(C)o2)C1 ZINC000158601388 345356877 /nfs/dbraw/zinc/35/68/77/345356877.db2.gz UOJBIQNJCLODOO-ZDUSSCGKSA-N 1 0 237.299 1.940 10 0 BDAERO COC[C@H](C)NC1=[NH+][C@H](C)CCS1 ZINC000133425713 345374559 /nfs/dbraw/zinc/37/45/59/345374559.db2.gz NWRXTYFWSMCCLL-SFYZADRCSA-N 1 0 202.323 1.492 10 0 BDAERO CSCC[C@H](C)N(C)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000158817166 345379675 /nfs/dbraw/zinc/37/96/75/345379675.db2.gz AWLDKOTUPHTJIQ-VWYCJHECSA-N 1 0 244.404 1.442 10 0 BDAERO C[C@H]1CCSC(N[C@@H]2CCOC2)=[NH+]1 ZINC000133720943 345384915 /nfs/dbraw/zinc/38/49/15/345384915.db2.gz NTIQNHSCVQMOLO-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@H]1C[C@@H](n2cccc2C=O)CC[N@@H+]1C ZINC000158805600 345412803 /nfs/dbraw/zinc/41/28/03/345412803.db2.gz LNMFUYFPLLAEPW-QWRGUYRKSA-N 1 0 206.289 1.956 10 0 BDAERO CSc1ccccc1N1CC[C@@H]([NH3+])C1 ZINC000228778639 345395533 /nfs/dbraw/zinc/39/55/33/345395533.db2.gz DIDBQSADLMNUSQ-SECBINFHSA-N 1 0 208.330 1.946 10 0 BDAERO CN(C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000082276062 345500775 /nfs/dbraw/zinc/50/07/75/345500775.db2.gz JRRFTXNBSJTPBR-UHFFFAOYSA-N 1 0 225.336 1.228 10 0 BDAERO C[C@@H](NC(=O)c1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000381355718 345468557 /nfs/dbraw/zinc/46/85/57/345468557.db2.gz IZXICGBIEGWRQU-VHSXEESVSA-N 1 0 235.331 1.218 10 0 BDAERO O=C1c2ncccc2C[C@H]1[C@@H]1CCC[NH2+]1 ZINC000716131258 537898445 /nfs/dbraw/zinc/89/84/45/537898445.db2.gz VACAHWIVHIBLEZ-UWVGGRQHSA-N 1 0 202.257 1.189 10 0 BDAERO CCN(CC1CC1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000068947185 349931571 /nfs/dbraw/zinc/93/15/71/349931571.db2.gz YLSWXZGMNFHJJY-GFCCVEGCSA-N 1 0 224.348 1.635 10 0 BDAERO CC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177178746 187307374 /nfs/dbraw/zinc/30/73/74/187307374.db2.gz HANOALKVWXEJTQ-LLVKDONJSA-N 1 0 207.277 1.202 10 0 BDAERO Cc1n[nH]cc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000093586139 345662405 /nfs/dbraw/zinc/66/24/05/345662405.db2.gz WZSMTHNSOPTUHI-ZIAGYGMSSA-N 1 0 249.358 1.845 10 0 BDAERO Cc1cnc(N2CCCC[C@@H]2C[NH3+])s1 ZINC000107213377 187309096 /nfs/dbraw/zinc/30/90/96/187309096.db2.gz MCVCKHQYSOQUTH-SECBINFHSA-N 1 0 211.334 1.769 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCNC2=O)cc1C ZINC000269314202 178896688 /nfs/dbraw/zinc/89/66/88/178896688.db2.gz YKDUDIXYFSUDTC-WCQYABFASA-N 1 0 232.327 1.843 10 0 BDAERO C[C@]1(NC2=[NH+]CCCS2)CCCOC1 ZINC000235725262 345807281 /nfs/dbraw/zinc/80/72/81/345807281.db2.gz MQOCVXVVECXOBB-JTQLQIEISA-N 1 0 214.334 1.638 10 0 BDAERO C[C@H](CO)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000168503467 345814072 /nfs/dbraw/zinc/81/40/72/345814072.db2.gz NNDNBYFBNUFIIB-CYBMUJFWSA-N 1 0 234.343 1.185 10 0 BDAERO CO[C@@H]1Cc2ccc(O)cc2C(C)(C)[C@H]1[NH3+] ZINC000033979582 345814659 /nfs/dbraw/zinc/81/46/59/345814659.db2.gz IGSNSHHFXGJMKP-NEPJUHHUSA-N 1 0 221.300 1.568 10 0 BDAERO Cn1nccc1-c1cc(C[NH3+])ccc1F ZINC000069020553 345778900 /nfs/dbraw/zinc/77/89/00/345778900.db2.gz IWTZPVPTZIIBSH-UHFFFAOYSA-N 1 0 205.236 1.685 10 0 BDAERO c1nn([C@H]2CCOC2)cc1C1CC[NH2+]CC1 ZINC000258532908 345784351 /nfs/dbraw/zinc/78/43/51/345784351.db2.gz PYRQJCBVFZMBFN-LBPRGKRZSA-N 1 0 221.304 1.312 10 0 BDAERO C=Cn1cnc2c1ncnc2NCCC[NH+](C)C ZINC000142190905 345862445 /nfs/dbraw/zinc/86/24/45/345862445.db2.gz CQVKEYHFBRBXJS-UHFFFAOYSA-N 1 0 246.318 1.290 10 0 BDAERO COc1ccc2c(c1)CC[NH2+][C@H]2CN1CCCC1 ZINC000034426614 345832924 /nfs/dbraw/zinc/83/29/24/345832924.db2.gz KJDSVBORJOCQLH-HNNXBMFYSA-N 1 0 246.354 1.978 10 0 BDAERO O=S1(=O)Cc2ccccc2C12CC[NH2+]CC2 ZINC000034457993 345834704 /nfs/dbraw/zinc/83/47/04/345834704.db2.gz SYDPVYNNIDKLBJ-UHFFFAOYSA-N 1 0 237.324 1.194 10 0 BDAERO COc1ccc(C[NH+](C)C)c(CO)c1OC ZINC000034482744 345835015 /nfs/dbraw/zinc/83/50/15/345835015.db2.gz DXEJMQZNMKJBSZ-UHFFFAOYSA-N 1 0 225.288 1.258 10 0 BDAERO C[NH2+][C@H](CN1CCCC1)c1cccc(N)c1 ZINC000034475805 345835032 /nfs/dbraw/zinc/83/50/32/345835032.db2.gz ZOBYKCQQZPGZHY-CYBMUJFWSA-N 1 0 219.332 1.625 10 0 BDAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCCc1ccccc1 ZINC000184726658 187311267 /nfs/dbraw/zinc/31/12/67/187311267.db2.gz BGQCUVNJKOMHLC-HUUCEWRRSA-N 1 0 249.354 1.437 10 0 BDAERO [NH3+]C1CN(C(=O)c2ccc(Cl)cc2)C1 ZINC000083635345 345919407 /nfs/dbraw/zinc/91/94/07/345919407.db2.gz JUWUQFRZMNQNKJ-UHFFFAOYSA-N 1 0 210.664 1.123 10 0 BDAERO [NH3+]C1CN(C(=O)Cc2ccccc2Cl)C1 ZINC000083635506 345919457 /nfs/dbraw/zinc/91/94/57/345919457.db2.gz YXDIYAHQCMLLAP-UHFFFAOYSA-N 1 0 224.691 1.052 10 0 BDAERO Cc1cnc(Cl)c(NC(=O)CC[NH3+])c1 ZINC000235811652 345924477 /nfs/dbraw/zinc/92/44/77/345924477.db2.gz WIHKRTSXLURGHV-UHFFFAOYSA-N 1 0 213.668 1.331 10 0 BDAERO CCN(CC)c1cc(N)[nH+]c(C2CC2)n1 ZINC000087908876 345940320 /nfs/dbraw/zinc/94/03/20/345940320.db2.gz LZXKHBQKNQCAFH-UHFFFAOYSA-N 1 0 206.293 1.782 10 0 BDAERO Nc1cc(N2CCCCC2)nc(C2CC2)[nH+]1 ZINC000087908885 345940354 /nfs/dbraw/zinc/94/03/54/345940354.db2.gz YPUYIHRMQNVVNX-UHFFFAOYSA-N 1 0 218.304 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1.139 10 0 BDAERO O[C@@]1(C[C@H]2CO2)CC[N@H+](Cc2ccccc2)C1 ZINC000669372684 537950319 /nfs/dbraw/zinc/95/03/19/537950319.db2.gz WIBUMQDQPBBTBE-UONOGXRCSA-N 1 0 233.311 1.412 10 0 BDAERO CCc1csc(N[C@@H]2CC[N@H+](C)C2)n1 ZINC000061894573 346174886 /nfs/dbraw/zinc/17/48/86/346174886.db2.gz SPLUMVIIBOZUPC-SECBINFHSA-N 1 0 211.334 1.822 10 0 BDAERO CC(C)[NH+]1CCN(c2ccnc(Cl)n2)CC1 ZINC000051849582 346148339 /nfs/dbraw/zinc/14/83/39/346148339.db2.gz HXLQJNKGCCENLR-UHFFFAOYSA-N 1 0 240.738 1.660 10 0 BDAERO [NH3+]CCc1nnc(-c2ccc(Cl)o2)s1 ZINC000236172065 346205203 /nfs/dbraw/zinc/20/52/03/346205203.db2.gz VMCYPOYIUVPNBF-UHFFFAOYSA-N 1 0 229.692 1.953 10 0 BDAERO Cc1cccc(-c2nc(C[C@H](C)[NH3+])no2)c1 ZINC000054161376 178996833 /nfs/dbraw/zinc/99/68/33/178996833.db2.gz HCJGIWVXTJNQMR-VIFPVBQESA-N 1 0 217.272 1.935 10 0 BDAERO Cn1nnc(Br)c1C(C)(C)CC[NH3+] ZINC000236078369 346189190 /nfs/dbraw/zinc/18/91/90/346189190.db2.gz HUJCVDDHAZYGFS-UHFFFAOYSA-N 1 0 247.140 1.204 10 0 BDAERO 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VSEZGBYVTSYCRI-VIFPVBQESA-N 1 0 211.334 1.370 10 0 BDAERO CC[C@@H](CCO)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000380053844 365832530 /nfs/dbraw/zinc/83/25/30/365832530.db2.gz XUICVLZIFRIAND-WDEREUQCSA-N 1 0 217.353 1.392 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ncncc2Cl)C1 ZINC000163595506 346567670 /nfs/dbraw/zinc/56/76/70/346567670.db2.gz DOGMRLTZSQPMLG-ZETCQYMHSA-N 1 0 212.684 1.246 10 0 BDAERO Cc1cccc(NC(=O)N[C@H]2CCC[C@H]2[NH3+])c1 ZINC000063174535 179136682 /nfs/dbraw/zinc/13/66/82/179136682.db2.gz AVPHXDBKUCJIQS-NEPJUHHUSA-N 1 0 233.315 1.996 10 0 BDAERO C[C@@](O)(C[NH3+])Cc1cc(F)cc(F)c1 ZINC000164790942 346626072 /nfs/dbraw/zinc/62/60/72/346626072.db2.gz URGYQTLBFWHFMN-JTQLQIEISA-N 1 0 201.216 1.217 10 0 BDAERO Fc1ccc2c(c1)CC[C@H]2N1CC[NH2+]CC1 ZINC000166528285 346679109 /nfs/dbraw/zinc/67/91/09/346679109.db2.gz FNYPSLRWGOUFSR-CYBMUJFWSA-N 1 0 220.291 1.718 10 0 BDAERO CC(C)C[C@@H](C)[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000590000293 346761422 /nfs/dbraw/zinc/76/14/22/346761422.db2.gz XLSHWQNLBLYTOY-CHWSQXEVSA-N 1 0 228.380 1.683 10 0 BDAERO COC[C@@H](C)C[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000188095695 346752637 /nfs/dbraw/zinc/75/26/37/346752637.db2.gz OZHJEMGRHQVLPN-ONGXEEELSA-N 1 0 238.335 1.294 10 0 BDAERO Cc1cccc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000335656006 179154660 /nfs/dbraw/zinc/15/46/60/179154660.db2.gz HERPVCVMWQWZPU-GXSJLCMTSA-N 1 0 205.305 1.800 10 0 BDAERO CC[C@@H](C)[C@@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242568 537986500 /nfs/dbraw/zinc/98/65/00/537986500.db2.gz IHUIZHHLFUJLCX-BXKDBHETSA-N 1 0 207.321 1.827 10 0 BDAERO Cc1cccc(OCC[C@](C)(O)C[NH3+])c1C ZINC000019668291 179169563 /nfs/dbraw/zinc/16/95/63/179169563.db2.gz MXRGNXYGCLTBTE-ZDUSSCGKSA-N 1 0 223.316 1.782 10 0 BDAERO Cc1nc(-c2nccn2C)cc([C@@H]2CCC[NH2+]2)n1 ZINC000616417628 347117201 /nfs/dbraw/zinc/11/72/01/347117201.db2.gz RYYPOCKDHYFTDQ-JTQLQIEISA-N 1 0 243.314 1.610 10 0 BDAERO Cc1cccc(OCC[C@](C)(O)C[NH3+])c1 ZINC000019668174 179169125 /nfs/dbraw/zinc/16/91/25/179169125.db2.gz 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JCJRGTIWGRYPFR-RYUDHWBXSA-N 1 0 218.300 1.173 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC000035132996 179336915 /nfs/dbraw/zinc/33/69/15/179336915.db2.gz XXCBXRILWVOCDP-NSHDSACASA-N 1 0 232.327 1.924 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000151910087 179330622 /nfs/dbraw/zinc/33/06/22/179330622.db2.gz UMLDVCWVMJKQHW-STQMWFEESA-N 1 0 246.354 1.952 10 0 BDAERO C[NH+](C)[C@H]1CCCN(C(=O)OC2CC2)C1 ZINC000669381895 537996075 /nfs/dbraw/zinc/99/60/75/537996075.db2.gz ZGTMCEGUCQFBRG-VIFPVBQESA-N 1 0 212.293 1.311 10 0 BDAERO Cc1ccccc1[C@H]1C[NH2+]C[C@H](C(N)=O)C1 ZINC000082162800 179348921 /nfs/dbraw/zinc/34/89/21/179348921.db2.gz KZNNLBUKIKANEV-GHMZBOCLSA-N 1 0 218.300 1.173 10 0 BDAERO Cc1ccccc1[C@H]([NH2+]C1CC1)C(N)=O ZINC000037870475 179344035 /nfs/dbraw/zinc/34/40/35/179344035.db2.gz VZQHQMXKJONILE-NSHDSACASA-N 1 0 204.273 1.273 10 0 BDAERO CCC(=O)N[C@@H]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000669382451 537997696 /nfs/dbraw/zinc/99/76/96/537997696.db2.gz LINNEBWFZYKQEA-GARJFASQSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1CCCN(c2cc(N)c(N)c[nH+]2)[C@H]1C ZINC000669382447 537997927 /nfs/dbraw/zinc/99/79/27/537997927.db2.gz AILUVOYZPGXQSK-BDAKNGLRSA-N 1 0 220.320 1.871 10 0 BDAERO Cc1cccnc1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235349027 179360765 /nfs/dbraw/zinc/36/07/65/179360765.db2.gz ZVFPLRCBOMHJBT-ZYHUDNBSSA-N 1 0 247.342 1.589 10 0 BDAERO O=C(N[C@]12CC[C@H]1C[NH2+]C2)C1CCCCC1 ZINC000616571179 348173396 /nfs/dbraw/zinc/17/33/96/348173396.db2.gz FEDDKUGBJAFHCS-AAEUAGOBSA-N 1 0 222.332 1.435 10 0 BDAERO COC(=O)[C@]1(C(C)C)O[C@]1(C)CC[NH+](C)C ZINC000669382247 537999267 /nfs/dbraw/zinc/99/92/67/537999267.db2.gz BZGRBRURAZDGAN-NEPJUHHUSA-N 1 0 229.320 1.295 10 0 BDAERO CC[C@@H](C)c1nc([C@H]2CC[NH2+]C2)cc(=O)[nH]1 ZINC000669382219 537999755 /nfs/dbraw/zinc/99/97/55/537999755.db2.gz IYHSJYHORVHJSS-BDAKNGLRSA-N 1 0 221.304 1.773 10 0 BDAERO C/C=C\C(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616571533 348200140 /nfs/dbraw/zinc/20/01/40/348200140.db2.gz LQYLVMVDTPVGEK-PLNGDYQASA-N 1 0 224.348 1.705 10 0 BDAERO CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)CC1 ZINC000669382336 538000246 /nfs/dbraw/zinc/00/02/46/538000246.db2.gz KACUCAUDVAZDKX-GFCCVEGCSA-N 1 0 224.348 1.635 10 0 BDAERO COC1(CC(=O)N[C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000234610241 490141075 /nfs/dbraw/zinc/14/10/75/490141075.db2.gz QRNLABDNBZRQLD-WDEREUQCSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@H]1C[N@H+](C[C@H]2CCCCC2=O)CCO1 ZINC000251630645 362892547 /nfs/dbraw/zinc/89/25/47/362892547.db2.gz FKCOILHQYCFIKG-WDEREUQCSA-N 1 0 211.305 1.466 10 0 BDAERO C[C@H](CC(C)(C)O)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000394971690 323184911 /nfs/dbraw/zinc/18/49/11/323184911.db2.gz ABTMRZPNPJFRAA-DDHJBXDOSA-N 1 0 241.375 1.939 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+][C@H](C)C[S@](=O)[C@H]2C1 ZINC000251749457 362904972 /nfs/dbraw/zinc/90/49/72/362904972.db2.gz JQPXDDOLTMOKNA-NKGMTQDZSA-N 1 0 201.335 1.284 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+][C@H](C)CC[S@](=O)[C@H]2C1 ZINC000251788205 362918401 /nfs/dbraw/zinc/91/84/01/362918401.db2.gz LKWDELZYDNCXAO-WCCFOQQASA-N 1 0 215.362 1.674 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@]2(CN)CS[C@@H](C)C2)C1 ZINC000251709854 362900758 /nfs/dbraw/zinc/90/07/58/362900758.db2.gz OVOYRGANLFMACY-OUAUKWLOSA-N 1 0 214.378 1.551 10 0 BDAERO CSCCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000596006731 348412447 /nfs/dbraw/zinc/41/24/47/348412447.db2.gz ZJUUGLOKQWNJCS-LURJTMIESA-N 1 0 244.282 1.088 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H]1C[NH3+] ZINC000725246079 538005303 /nfs/dbraw/zinc/00/53/03/538005303.db2.gz QXWJIAKUWZOJAK-DTWKUNHWSA-N 1 0 232.299 1.683 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)C(=O)c1ccc(F)cc1 ZINC000669382911 538005449 /nfs/dbraw/zinc/00/54/49/538005449.db2.gz NOYRYXINPZXBLT-LLVKDONJSA-N 1 0 225.263 1.367 10 0 BDAERO Cc1ccsc1[C@H]([C@@H](C)[NH3+])n1cncn1 ZINC000043249093 179556554 /nfs/dbraw/zinc/55/65/54/179556554.db2.gz MQVJMQRUIBFITR-BDAKNGLRSA-N 1 0 222.317 1.585 10 0 BDAERO Cc1cncc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282043251 179674512 /nfs/dbraw/zinc/67/45/12/179674512.db2.gz ARQKWRPBBWSOTO-PWSUYJOCSA-N 1 0 233.315 1.147 10 0 BDAERO CC(C)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000171602728 535079081 /nfs/dbraw/zinc/07/90/81/535079081.db2.gz GZMRJJLUFFNYOR-GFCCVEGCSA-N 1 0 222.336 1.646 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1nccn1C ZINC000070007762 490193995 /nfs/dbraw/zinc/19/39/95/490193995.db2.gz BDNMJRMTMJOSDG-DCAQKATOSA-N 1 0 223.320 1.374 10 0 BDAERO Cc1cncc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000088451608 179663275 /nfs/dbraw/zinc/66/32/75/179663275.db2.gz QTSSEWVWOLSMNO-NEPJUHHUSA-N 1 0 233.315 1.390 10 0 BDAERO CN(C)c1ccc2c(c1)N(C)C[C@@]21C[C@H]1[NH3+] ZINC000725246996 538012007 /nfs/dbraw/zinc/01/20/07/538012007.db2.gz DIIIMHWXTSNYRE-OLZOCXBDSA-N 1 0 217.316 1.171 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCc1ccccc1F ZINC000054071595 348873970 /nfs/dbraw/zinc/87/39/70/348873970.db2.gz BYWCJHNEVZFSFW-SECBINFHSA-N 1 0 224.279 1.092 10 0 BDAERO CCc1nc2cc(NC(=O)[C@@H](C)[NH2+]C)ccc2o1 ZINC000054074669 348875578 /nfs/dbraw/zinc/87/55/78/348875578.db2.gz YFKMCIMDJVILKS-MRVPVSSYSA-N 1 0 247.298 1.937 10 0 BDAERO CCN(CCc1ccccc1)C(=O)[C@@H](C)[NH2+]C ZINC000054075233 348877194 /nfs/dbraw/zinc/87/71/94/348877194.db2.gz RDLCWLRUFZLILF-GFCCVEGCSA-N 1 0 234.343 1.686 10 0 BDAERO Cc1ccc([C@H]2CC[NH2+]C[C@H]2N)cc1F ZINC000669384694 538017150 /nfs/dbraw/zinc/01/71/50/538017150.db2.gz BLCNFDTWVJJUIV-ZYHUDNBSSA-N 1 0 208.280 1.538 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1ccncc1 ZINC000054307518 348974024 /nfs/dbraw/zinc/97/40/24/348974024.db2.gz WKWIEXZSFZTTRI-CYBMUJFWSA-N 1 0 247.342 1.130 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccccc2)C1 ZINC000116510293 348976030 /nfs/dbraw/zinc/97/60/30/348976030.db2.gz ADFBVTAJGJLTTL-WCQYABFASA-N 1 0 205.301 1.889 10 0 BDAERO CN(Cc1cccnc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306123 348979164 /nfs/dbraw/zinc/97/91/64/348979164.db2.gz QFZOLKPGHKJGFC-GFCCVEGCSA-N 1 0 247.342 1.430 10 0 BDAERO CC(C)C[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290785 348962802 /nfs/dbraw/zinc/96/28/02/348962802.db2.gz VVVDJNYTMNRPDE-NWDGAFQWSA-N 1 0 226.364 1.927 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N1Cc2ccccc2C1 ZINC000054292773 348964714 /nfs/dbraw/zinc/96/47/14/348964714.db2.gz QUVRNYGFASKXCM-LBPRGKRZSA-N 1 0 244.338 1.919 10 0 BDAERO C=CC(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616573563 349071365 /nfs/dbraw/zinc/07/13/65/349071365.db2.gz SOZSCWIQENBPGM-VIFPVBQESA-N 1 0 204.273 1.509 10 0 BDAERO CC(C)(C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000616573487 349071494 /nfs/dbraw/zinc/07/14/94/349071494.db2.gz YUKUVEMYCLSXBB-VHSXEESVSA-N 1 0 210.321 1.385 10 0 BDAERO C[C@H](C(=O)N1C[C@H]2CC[C@]2([NH3+])C1)C(C)(C)C ZINC000616574087 349076452 /nfs/dbraw/zinc/07/64/52/349076452.db2.gz XAOAVOFANAPWTA-BREBYQMCSA-N 1 0 224.348 1.618 10 0 BDAERO OC[C@@]1(c2ccc(F)cc2F)CC[NH2+]C1 ZINC000616574434 349079102 /nfs/dbraw/zinc/07/91/02/349079102.db2.gz PCUZXVRPZKIKQJ-LLVKDONJSA-N 1 0 213.227 1.188 10 0 BDAERO Cc1coc(-c2cccc(NC(=O)CC[NH3+])c2)n1 ZINC000119290510 179752566 /nfs/dbraw/zinc/75/25/66/179752566.db2.gz BAQWJJQGZUPFFL-UHFFFAOYSA-N 1 0 245.282 1.937 10 0 BDAERO CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000616571895 349061878 /nfs/dbraw/zinc/06/18/78/349061878.db2.gz OKKAMQJFZGHDNT-BQBZGAKWSA-N 1 0 224.226 1.135 10 0 BDAERO C/C=C\C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000616572600 349062005 /nfs/dbraw/zinc/06/20/05/349062005.db2.gz SVGUWROCELPEGP-HZHJCBGQSA-N 1 0 236.237 1.301 10 0 BDAERO [NH3+]Cc1ncccc1NC(=O)C1CCCC1 ZINC000616572732 349062751 /nfs/dbraw/zinc/06/27/51/349062751.db2.gz OFYBSWHKWOMXKF-UHFFFAOYSA-N 1 0 219.288 1.669 10 0 BDAERO CCC(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616571933 349064384 /nfs/dbraw/zinc/06/43/84/349064384.db2.gz IYMARSJPBHUXDZ-SECBINFHSA-N 1 0 206.289 1.733 10 0 BDAERO CCC(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616572401 349066000 /nfs/dbraw/zinc/06/60/00/349066000.db2.gz SCNORRTZWABZEU-UHFFFAOYSA-N 1 0 212.337 1.538 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000070621493 490226799 /nfs/dbraw/zinc/22/67/99/490226799.db2.gz UYXBSOWRIDDWES-NSHDSACASA-N 1 0 219.288 1.642 10 0 BDAERO CC[C@@H](COC)[NH2+]CC[C@@H]1CCCO1 ZINC000070624197 490227153 /nfs/dbraw/zinc/22/71/53/490227153.db2.gz IULTZCAMVGASRE-QWRGUYRKSA-N 1 0 201.310 1.570 10 0 BDAERO Cc1cc(C(F)F)nc(CCC[NH3+])n1 ZINC000616578809 349127058 /nfs/dbraw/zinc/12/70/58/349127058.db2.gz QKYMBSRWVDEHQS-UHFFFAOYSA-N 1 0 201.220 1.614 10 0 BDAERO COC(=O)CCCC[N@@H+]1CCC[C@@H]1CCCO ZINC000599281644 349140485 /nfs/dbraw/zinc/14/04/85/349140485.db2.gz LJPQXTVTYWULKD-GFCCVEGCSA-N 1 0 243.347 1.567 10 0 BDAERO COC[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000251069025 349182510 /nfs/dbraw/zinc/18/25/10/349182510.db2.gz FBJMWXYHEWHOFN-IJLUTSLNSA-N 1 0 215.337 1.552 10 0 BDAERO COC(=O)CCCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000599360628 349159356 /nfs/dbraw/zinc/15/93/56/349159356.db2.gz ZUDUDKMTCLNBGT-MNOVXSKESA-N 1 0 229.320 1.487 10 0 BDAERO COc1ccc([C@]2(O)CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000616579493 349164794 /nfs/dbraw/zinc/16/47/94/349164794.db2.gz REKLTKSSIUJAQZ-NILFDRSVSA-N 1 0 247.338 1.902 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2ccc(C=O)o2)C1 ZINC000062966121 349293395 /nfs/dbraw/zinc/29/33/95/349293395.db2.gz SJAPLMJCLAZAQP-VIFPVBQESA-N 1 0 208.261 1.232 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CC[C@H]1C ZINC000309036177 349370308 /nfs/dbraw/zinc/37/03/08/349370308.db2.gz GBWFYFZONYPZKT-UTUOFQBUSA-N 1 0 215.337 1.552 10 0 BDAERO c1nc2c(c(NCC3CC[NH2+]CC3)n1)CCC2 ZINC000061277683 349373778 /nfs/dbraw/zinc/37/37/78/349373778.db2.gz JEQJPNQXRDUYRW-UHFFFAOYSA-N 1 0 232.331 1.377 10 0 BDAERO c1nc2c(c(NC[C@@H]3CCC[NH2+]C3)n1)CCC2 ZINC000061277681 349373788 /nfs/dbraw/zinc/37/37/88/349373788.db2.gz IDUXMRBYFHKNEE-SNVBAGLBSA-N 1 0 232.331 1.377 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000087044431 190999490 /nfs/dbraw/zinc/99/94/90/190999490.db2.gz HTUNYZPQHUVNFC-YUMQZZPRSA-N 1 0 209.249 1.126 10 0 BDAERO Cc1nc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cs1 ZINC000037166104 179972267 /nfs/dbraw/zinc/97/22/67/179972267.db2.gz XVYFKWGOZSJROC-MWLCHTKSSA-N 1 0 226.345 1.845 10 0 BDAERO Cc1nc(COc2ccccc2CC[NH3+])no1 ZINC000037720519 179979348 /nfs/dbraw/zinc/97/93/48/179979348.db2.gz KXZIYFWMNDWWCT-UHFFFAOYSA-N 1 0 233.271 1.458 10 0 BDAERO CC[C@H](O)[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217597427 350064167 /nfs/dbraw/zinc/06/41/67/350064167.db2.gz PCWDUSZGWYHZHH-AXFHLTTASA-N 1 0 201.310 1.257 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])CNC(=O)NC(C)(C)C ZINC000725255074 538050035 /nfs/dbraw/zinc/05/00/35/538050035.db2.gz QMZIGHGEQOZRIE-RKDXNWHRSA-N 1 0 215.341 1.458 10 0 BDAERO Cc1nc(N2CCOC[C@H]2C)sc1C[NH3+] ZINC000054997313 180002854 /nfs/dbraw/zinc/00/28/54/180002854.db2.gz JOMQWOXHSXRTOH-SSDOTTSWSA-N 1 0 227.333 1.135 10 0 BDAERO Cc1nc(NCCN2CC[NH2+]CC2)sc1C ZINC000082657122 180017926 /nfs/dbraw/zinc/01/79/26/180017926.db2.gz COLUQFWZSLNAPY-UHFFFAOYSA-N 1 0 240.376 1.077 10 0 BDAERO Cc1nnc([C@@](C)([NH3+])c2ccccc2)[nH]1 ZINC000052879572 180044939 /nfs/dbraw/zinc/04/49/39/180044939.db2.gz NIDVPNWWGVINIB-NSHDSACASA-N 1 0 202.261 1.335 10 0 BDAERO Cc1nc([C@H]([NH3+])[C@H]2CCOC2)sc1C ZINC000041059995 180053406 /nfs/dbraw/zinc/05/34/06/180053406.db2.gz PLGKTKDZZUXBOJ-DTWKUNHWSA-N 1 0 212.318 1.796 10 0 BDAERO Cc1nc([C@]2(N)CC[N@@H+](C)C2)sc1C ZINC000061991784 180060335 /nfs/dbraw/zinc/06/03/35/180060335.db2.gz IVXQIAPBAIFAAE-JTQLQIEISA-N 1 0 211.334 1.249 10 0 BDAERO CCC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000056011626 350121951 /nfs/dbraw/zinc/12/19/51/350121951.db2.gz PLVUPMDVJWHDGQ-FGWVZKOKSA-N 1 0 210.321 1.385 10 0 BDAERO CCS(=O)(=O)N(C)c1ccc(F)cc1C[NH3+] ZINC000725255724 538052723 /nfs/dbraw/zinc/05/27/23/538052723.db2.gz JUJARSYMYQXCKH-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO CC1(C)Cc2nc(N)sc2C(C)(C)[NH2+]1 ZINC000090397547 191023076 /nfs/dbraw/zinc/02/30/76/191023076.db2.gz RGDWIESOQATYQQ-UHFFFAOYSA-N 1 0 211.334 1.885 10 0 BDAERO C[C@H](CC[NH2+]CC1CCOCC1)[S@](C)=O ZINC000132585592 191034636 /nfs/dbraw/zinc/03/46/36/191034636.db2.gz VLIWMBLUMOOZSB-MEBBXXQBSA-N 1 0 233.377 1.160 10 0 BDAERO Cc1nc2c(c(C(F)(F)F)n1)C[C@H]([NH3+])CC2 ZINC000020445755 180068122 /nfs/dbraw/zinc/06/81/22/180068122.db2.gz JFLSMACIXPDXIW-ZCFIWIBFSA-N 1 0 231.221 1.620 10 0 BDAERO CCC(C)(C)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000395934914 323268884 /nfs/dbraw/zinc/26/88/84/323268884.db2.gz BNWHCZPVIAVFKZ-ZETCQYMHSA-N 1 0 237.294 1.457 10 0 BDAERO Cc1nc2cccc(Br)n2c1C[NH3+] ZINC000036244402 180100126 /nfs/dbraw/zinc/10/01/26/180100126.db2.gz LTKJVCWLEKMPKL-UHFFFAOYSA-N 1 0 240.104 1.864 10 0 BDAERO Cc1nc2ccccc2nc1OCC[NH3+] ZINC000052099697 180105273 /nfs/dbraw/zinc/10/52/73/180105273.db2.gz JBSJMWSLLNCDQM-UHFFFAOYSA-N 1 0 203.245 1.276 10 0 BDAERO Cc1nc2ccccc2nc1NCCC[NH3+] ZINC000052099378 180105314 /nfs/dbraw/zinc/10/53/14/180105314.db2.gz CPEYORARAIDWHN-UHFFFAOYSA-N 1 0 216.288 1.699 10 0 BDAERO c1[nH]c([C@@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000036874061 350173176 /nfs/dbraw/zinc/17/31/76/350173176.db2.gz LCHVODYYBHRLLH-JTQLQIEISA-N 1 0 214.272 1.896 10 0 BDAERO Cc1nc2sccn2c1C[NH2+]C[C@@H](C)O ZINC000037257649 180116728 /nfs/dbraw/zinc/11/67/28/180116728.db2.gz XCQQRADHIDAMRH-SSDOTTSWSA-N 1 0 225.317 1.175 10 0 BDAERO Cc1nc[nH]c1CNC[C@H](C)C[NH+]1CCCC1 ZINC000062079043 180122525 /nfs/dbraw/zinc/12/25/25/180122525.db2.gz HIZXECQYZSEXHG-NSHDSACASA-N 1 0 236.363 1.540 10 0 BDAERO CC(C)N(C)C[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309211233 350192658 /nfs/dbraw/zinc/19/26/58/350192658.db2.gz HDWXJQYUNSIHCY-RYUDHWBXSA-N 1 0 230.396 1.712 10 0 BDAERO CC(C)c1cc(NC[C@@H](C)C[NH3+])ncn1 ZINC000083387533 350192720 /nfs/dbraw/zinc/19/27/20/350192720.db2.gz DAQNQCXLGAYWFO-VIFPVBQESA-N 1 0 208.309 1.607 10 0 BDAERO Cc1ncc(CNC(=O)[C@H]([NH3+])C(C)(C)C)s1 ZINC000077559046 180149358 /nfs/dbraw/zinc/14/93/58/180149358.db2.gz TXIIYIDDNSOYEF-VIFPVBQESA-N 1 0 241.360 1.441 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)n1 ZINC000163344526 180192536 /nfs/dbraw/zinc/19/25/36/180192536.db2.gz VFORLHPKEDKHEZ-QWRGUYRKSA-N 1 0 221.304 1.034 10 0 BDAERO Cc1nccc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000054937481 180206881 /nfs/dbraw/zinc/20/68/81/180206881.db2.gz QMTCHMJTCRPPSF-SNVBAGLBSA-N 1 0 207.277 1.163 10 0 BDAERO Cc1ncccc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000335596295 180226982 /nfs/dbraw/zinc/22/69/82/180226982.db2.gz JQSNHSKFRNOHGH-KOLCDFICSA-N 1 0 233.315 1.717 10 0 BDAERO Cc1nccn1-c1nc2ccccn2c1CC[NH3+] ZINC000104280429 180230249 /nfs/dbraw/zinc/23/02/49/180230249.db2.gz MDGXIFPTCZVKER-UHFFFAOYSA-N 1 0 241.298 1.330 10 0 BDAERO Cc1nccn1-c1nc2ccccn2c1C[NH3+] ZINC000035449840 180231222 /nfs/dbraw/zinc/23/12/22/180231222.db2.gz NSIBXPQORICDDH-UHFFFAOYSA-N 1 0 227.271 1.287 10 0 BDAERO Cc1nc(C[NH3+])cc(-c2ccncc2)n1 ZINC000074213774 350238326 /nfs/dbraw/zinc/23/83/26/350238326.db2.gz CKYNRXOQOIHBAD-UHFFFAOYSA-N 1 0 200.245 1.306 10 0 BDAERO O=C(Nc1ccccc1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC000222954162 350257176 /nfs/dbraw/zinc/25/71/76/350257176.db2.gz KZZKTCCZMWKEKG-ZDUSSCGKSA-N 1 0 245.282 1.134 10 0 BDAERO Cc1nccn1CCN1CCC[C@@H]1C[NH2+]C1CC1 ZINC000053649487 180250929 /nfs/dbraw/zinc/25/09/29/180250929.db2.gz FSEPRUVQAVFKLY-CQSZACIVSA-N 1 0 248.374 1.408 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2C[C@H]2[NH3+])C1 ZINC000725261838 538087873 /nfs/dbraw/zinc/08/78/73/538087873.db2.gz JTZPMOKTICLZRH-OUAUKWLOSA-N 1 0 240.347 1.981 10 0 BDAERO Cc1nccn1C[C@@H](O)c1ccc(C[NH3+])cc1 ZINC000035727644 180264872 /nfs/dbraw/zinc/26/48/72/180264872.db2.gz LDJLXWFEYFGQJL-CYBMUJFWSA-N 1 0 231.299 1.384 10 0 BDAERO Cc1ncn([C@H](c2ccncc2)[C@@H](C)[NH3+])c1C ZINC000051925704 180288593 /nfs/dbraw/zinc/28/85/93/180288593.db2.gz QZQPXOQPNRXQNF-RNCFNFMXSA-N 1 0 230.315 1.832 10 0 BDAERO Cc1ncn([C@H](C[NH3+])c2ccco2)c1C ZINC000051925630 180289777 /nfs/dbraw/zinc/28/97/77/180289777.db2.gz FEOMTEWQLKBHIC-SNVBAGLBSA-N 1 0 205.261 1.641 10 0 BDAERO CC(C)COC[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324280786 350289947 /nfs/dbraw/zinc/28/99/47/350289947.db2.gz ONGSQYLWTVZKAW-NEPJUHHUSA-N 1 0 247.379 1.017 10 0 BDAERO Cc1ncn(-c2ccc(Cl)c(C[NH3+])n2)c1C ZINC000051928480 180286083 /nfs/dbraw/zinc/28/60/83/180286083.db2.gz IZQUANGMDRQAMJ-UHFFFAOYSA-N 1 0 236.706 1.996 10 0 BDAERO Cc1nn(-c2ccc(C[NH3+])cn2)c(C)c1C ZINC000040728661 180326828 /nfs/dbraw/zinc/32/68/28/180326828.db2.gz ALNQKNDEZHUFPF-UHFFFAOYSA-N 1 0 216.288 1.651 10 0 BDAERO Cc1nn(-c2cc(C[NH3+])ccn2)c(C)c1C ZINC000040728658 180327055 /nfs/dbraw/zinc/32/70/55/180327055.db2.gz NGPOQSJGJSEOTM-UHFFFAOYSA-N 1 0 216.288 1.651 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000037268155 180327373 /nfs/dbraw/zinc/32/73/73/180327373.db2.gz FRRIYYMDGNKCIC-IUCAKERBSA-N 1 0 241.360 1.579 10 0 BDAERO CC[N@@H+]1CC[C@H](NCc2cnc(C)o2)C1 ZINC000397922473 362955871 /nfs/dbraw/zinc/95/58/71/362955871.db2.gz PBGIPJACCABJNF-JTQLQIEISA-N 1 0 209.293 1.167 10 0 BDAERO CCCNC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725263945 538090976 /nfs/dbraw/zinc/09/09/76/538090976.db2.gz CMOLLOYROLEOBX-NSHDSACASA-N 1 0 239.363 1.699 10 0 BDAERO CC[C@@H]1CS[C@]2(C[C@@H](C)N(C)C2)[NH2+]1 ZINC000226163277 350404486 /nfs/dbraw/zinc/40/44/86/350404486.db2.gz WFLLVEJOSSTDOT-BBBLOLIVSA-N 1 0 200.351 1.522 10 0 BDAERO Cc1nn(C)c(C)c1[C@H](C[NH3+])C(F)(F)F ZINC000082719066 180348713 /nfs/dbraw/zinc/34/87/13/180348713.db2.gz WIYHXLNBXUMGFM-ZETCQYMHSA-N 1 0 221.226 1.642 10 0 BDAERO Cc1nn(C)c(NCC[NH+]2CCCCC2)c1N ZINC000033975833 180357870 /nfs/dbraw/zinc/35/78/70/180357870.db2.gz HUJJRRCILKMFTG-UHFFFAOYSA-N 1 0 237.351 1.209 10 0 BDAERO Cc1nn(C)c(N[C@@H](C)C[NH+]2CCCC2)c1N ZINC000042598667 180358750 /nfs/dbraw/zinc/35/87/50/180358750.db2.gz FVDRZBDGCFITMJ-VIFPVBQESA-N 1 0 237.351 1.207 10 0 BDAERO C[C@@H](CCCO)C[NH2+]C[C@H](O)C(C)(C)C ZINC000384637817 350424958 /nfs/dbraw/zinc/42/49/58/350424958.db2.gz WVYWFQKGPPAEFN-QWRGUYRKSA-N 1 0 217.353 1.392 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCSC[C@@H]1C ZINC000226394818 350426703 /nfs/dbraw/zinc/42/67/03/350426703.db2.gz BLBRZVQULKZQMF-NKWVEPMBSA-N 1 0 204.364 1.098 10 0 BDAERO CCCCNC(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000725264848 538092283 /nfs/dbraw/zinc/09/22/83/538092283.db2.gz KEKKKDLZRWAGNF-UHFFFAOYSA-N 1 0 247.289 1.037 10 0 BDAERO Cc1nn(C)c2ncc(N[C@H]3CC[N@H+](C)C3)cc12 ZINC000061986957 180365221 /nfs/dbraw/zinc/36/52/21/180365221.db2.gz FXDIDDHQCZCMKM-JTQLQIEISA-N 1 0 245.330 1.393 10 0 BDAERO Cc1nn(C)cc1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000301907625 180371482 /nfs/dbraw/zinc/37/14/82/180371482.db2.gz CXQQEEQUZJFBHF-CYBMUJFWSA-N 1 0 248.374 1.445 10 0 BDAERO Cc1nn(C)cc1[C@H](O)[C@H]([NH3+])CC(C)C ZINC000082373217 180382532 /nfs/dbraw/zinc/38/25/32/180382532.db2.gz NKRKBLMQAFCGBU-MNOVXSKESA-N 1 0 211.309 1.135 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000725264906 538093250 /nfs/dbraw/zinc/09/32/50/538093250.db2.gz UECFFTCPIYLCGO-SECBINFHSA-N 1 0 246.301 1.346 10 0 BDAERO Cc1nn(Cc2noc(C(C)C)n2)c(C)c1C[NH3+] ZINC000049336809 180392000 /nfs/dbraw/zinc/39/20/00/180392000.db2.gz HECDEYXNLOHCCR-UHFFFAOYSA-N 1 0 249.318 1.513 10 0 BDAERO CC[N@H+](C)C1(CN)C[C@H](C)O[C@@H](C)C1 ZINC000227786538 350514314 /nfs/dbraw/zinc/51/43/14/350514314.db2.gz KRQMBMOMVADQNM-UWVGGRQHSA-N 1 0 200.326 1.223 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000300861353 490571745 /nfs/dbraw/zinc/57/17/45/490571745.db2.gz NREIWWHXPKUASM-WYUUTHIRSA-N 1 0 213.321 1.305 10 0 BDAERO OCC[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000163083530 350503069 /nfs/dbraw/zinc/50/30/69/350503069.db2.gz CBEBFTWBIITWJY-NSHDSACASA-N 1 0 221.300 1.597 10 0 BDAERO Cc1nn(C[C@@H]2CC[C@@H](C[NH3+])O2)c(C)c1C ZINC000052591477 180390770 /nfs/dbraw/zinc/39/07/70/180390770.db2.gz GUPTYYQMPNHDNC-RYUDHWBXSA-N 1 0 223.320 1.315 10 0 BDAERO Cc1nn(C[C@H]2CCCO2)c(C)c1[C@H](C)[NH3+] ZINC000054716438 180390837 /nfs/dbraw/zinc/39/08/37/180390837.db2.gz JZMIKRBVBOGNNH-GZMMTYOYSA-N 1 0 223.320 1.699 10 0 BDAERO CC(C)[C@H](CO)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000348300568 323378252 /nfs/dbraw/zinc/37/82/52/323378252.db2.gz HAPXQMWCXNDXNP-WUHRBBMRSA-N 1 0 241.375 1.654 10 0 BDAERO Cc1nnc(COc2cccc([C@H](C)[NH3+])c2)n1C ZINC000035696536 180415996 /nfs/dbraw/zinc/41/59/96/180415996.db2.gz LBRPCBPKJRLTBM-VIFPVBQESA-N 1 0 246.314 1.722 10 0 BDAERO Cc1nnc(COc2ccc(C[C@H](C)[NH3+])cc2)o1 ZINC000037723739 180416223 /nfs/dbraw/zinc/41/62/23/180416223.db2.gz ZSLOUVFMAQLMKP-VIFPVBQESA-N 1 0 247.298 1.847 10 0 BDAERO C[N@@H+]1CCO[C@@H](Nc2ccccn2)CC1 ZINC000616593270 350559423 /nfs/dbraw/zinc/55/94/23/350559423.db2.gz IPEVBHQOZWTHGR-LLVKDONJSA-N 1 0 207.277 1.172 10 0 BDAERO CO[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094648076 350598652 /nfs/dbraw/zinc/59/86/52/350598652.db2.gz NCDJXLJSZHXQRL-KKOKHZNYSA-N 1 0 240.347 1.058 10 0 BDAERO COCCC[NH2+]CC[C@@H](CO)[C@H]1CCCOC1 ZINC000725267168 538097355 /nfs/dbraw/zinc/09/73/55/538097355.db2.gz UBLVDKRVGVXUDQ-STQMWFEESA-N 1 0 245.363 1.038 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2cccc(N)n2)CC1 ZINC000616595760 350610886 /nfs/dbraw/zinc/61/08/86/350610886.db2.gz YTHOKWWSASFSRE-SNVBAGLBSA-N 1 0 207.277 1.057 10 0 BDAERO COCCC[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000725266813 538097024 /nfs/dbraw/zinc/09/70/24/538097024.db2.gz GNAIVUVNYUXHOV-ZDUSSCGKSA-N 1 0 245.363 1.038 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227202319 535147957 /nfs/dbraw/zinc/14/79/57/535147957.db2.gz TWVBXLBZDWUEFW-JHJVBQTASA-N 1 0 227.348 1.647 10 0 BDAERO COC(=O)[C@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616596216 350631972 /nfs/dbraw/zinc/63/19/72/350631972.db2.gz RQERWRAEKSNJFK-SECBINFHSA-N 1 0 215.293 1.049 10 0 BDAERO COC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000301041582 490675499 /nfs/dbraw/zinc/67/54/99/490675499.db2.gz ZKYLMHLGRYRZNK-DCAQKATOSA-N 1 0 215.337 1.693 10 0 BDAERO [NH3+]CCN1CCOCC[C@H]1c1cccc(F)c1 ZINC000616598604 350677011 /nfs/dbraw/zinc/67/70/11/350677011.db2.gz QOLGJFFKGRUXTC-ZDUSSCGKSA-N 1 0 238.306 1.548 10 0 BDAERO CC[N@@H+]1CCCOC[C@@H]1c1cccnn1 ZINC000616599687 350754630 /nfs/dbraw/zinc/75/46/30/350754630.db2.gz NCYNCMVCIMTESR-LLVKDONJSA-N 1 0 207.277 1.260 10 0 BDAERO OCC[N@@H+]1CCOCC[C@H]1c1ccc(F)cc1 ZINC000616599376 350744299 /nfs/dbraw/zinc/74/42/99/350744299.db2.gz ZQOKFEKPPQQZCW-ZDUSSCGKSA-N 1 0 239.290 1.581 10 0 BDAERO CC(C)[C@@H](C)[C@H]([NH2+]Cc1ccccc1)C(N)=O ZINC000306672706 350815858 /nfs/dbraw/zinc/81/58/58/350815858.db2.gz MHNXFGSOFGGXBB-YPMHNXCESA-N 1 0 234.343 1.922 10 0 BDAERO CNc1ccccc1[C@H]1CCOCCN1CC[NH3+] ZINC000616599866 350772556 /nfs/dbraw/zinc/77/25/56/350772556.db2.gz YFMNAUCKGRCJQQ-CQSZACIVSA-N 1 0 249.358 1.450 10 0 BDAERO OCC[N@@H+]1CCC[C@H](c2ccncc2)CC1 ZINC000616600171 350779411 /nfs/dbraw/zinc/77/94/11/350779411.db2.gz FWMDKRLHXKGWPE-LBPRGKRZSA-N 1 0 220.316 1.643 10 0 BDAERO Nc1cccc([C@H]2CCC[N@H+](CCO)CC2)n1 ZINC000616600115 350779742 /nfs/dbraw/zinc/77/97/42/350779742.db2.gz BVJDKSCDULJCAY-NSHDSACASA-N 1 0 235.331 1.226 10 0 BDAERO CC(C)[N@@H+]1CCN[C@@H](c2ccccc2CCO)C1 ZINC000616600497 350780281 /nfs/dbraw/zinc/78/02/81/350780281.db2.gz KOABZNASZFCDES-OAHLLOKOSA-N 1 0 248.370 1.576 10 0 BDAERO CN1CC[NH2+][C@@H](c2cccc3cnccc32)C1 ZINC000616601019 350781068 /nfs/dbraw/zinc/78/10/68/350781068.db2.gz NOFSRRUXWDVPRE-CQSZACIVSA-N 1 0 227.311 1.811 10 0 BDAERO c1ccc2c(c1)nncc2[C@H]1C[NH2+]CCO1 ZINC000616601493 350782417 /nfs/dbraw/zinc/78/24/17/350782417.db2.gz CXJGZFMRIXMLSA-GFCCVEGCSA-N 1 0 215.256 1.291 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2ccccc2CO)C1 ZINC000616605399 350794793 /nfs/dbraw/zinc/79/47/93/350794793.db2.gz OIDUVVBSRZEWEY-CYBMUJFWSA-N 1 0 249.354 1.741 10 0 BDAERO Nc1ncccc1[C@@H]1CCCCN(CC[NH3+])C1 ZINC000616605697 350795054 /nfs/dbraw/zinc/79/50/54/350795054.db2.gz UZQUOWHWVROPBT-LLVKDONJSA-N 1 0 234.347 1.192 10 0 BDAERO C[N@@H+]1CCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616606960 350799472 /nfs/dbraw/zinc/79/94/72/350799472.db2.gz NFHOTYQATLUFDC-LLVKDONJSA-N 1 0 204.273 1.552 10 0 BDAERO CC(=O)Nc1cccc([C@@H]2CCC[N@@H+]2CCO)c1 ZINC000616607757 350802023 /nfs/dbraw/zinc/80/20/23/350802023.db2.gz MDMRGTVQPFGTLF-AWEZNQCLSA-N 1 0 248.326 1.774 10 0 BDAERO Nc1ccc([C@@H]2CCC[N@@H+]2CCO)cc1 ZINC000616608232 350803784 /nfs/dbraw/zinc/80/37/84/350803784.db2.gz PNPQMKYTAYSUFX-LBPRGKRZSA-N 1 0 206.289 1.398 10 0 BDAERO OCC[N@@H+]1CCC[C@@H]1c1ccc2nnccc2c1 ZINC000616608370 350804830 /nfs/dbraw/zinc/80/48/30/350804830.db2.gz RSADBSDCXRUGLQ-CQSZACIVSA-N 1 0 243.310 1.759 10 0 BDAERO OCC[N@@H+]1CC[C@@H](c2cnnc3ccccc32)C1 ZINC000616614376 350831807 /nfs/dbraw/zinc/83/18/07/350831807.db2.gz LTOMHTDHOHECRE-LLVKDONJSA-N 1 0 243.310 1.411 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncnc3c2CCC3)C1 ZINC000382471119 350839522 /nfs/dbraw/zinc/83/95/22/350839522.db2.gz PQQFKWKQJLDZLH-ZJUUUORDSA-N 1 0 232.331 1.505 10 0 BDAERO Cc1cnc(Br)c(NCC[NH3+])c1 ZINC000306691406 350844516 /nfs/dbraw/zinc/84/45/16/350844516.db2.gz NWJFNJLJOUCXIE-UHFFFAOYSA-N 1 0 230.109 1.523 10 0 BDAERO Cc1cc(N)ccc1N1CCC[NH2+]CC1 ZINC000106885750 350846738 /nfs/dbraw/zinc/84/67/38/350846738.db2.gz HMVQEAUIHBLIKE-UHFFFAOYSA-N 1 0 205.305 1.377 10 0 BDAERO CO[C@@H]1CCC[C@@H]1[NH+]1CCC2(CC1)OCCO2 ZINC000306700550 350849792 /nfs/dbraw/zinc/84/97/92/350849792.db2.gz FREWXNPPDXIIER-NWDGAFQWSA-N 1 0 241.331 1.393 10 0 BDAERO C[C@H]1C[C@H]([N@H+](C)CCN(C)CCO)C[C@@H](C)C1 ZINC000623091038 350864117 /nfs/dbraw/zinc/86/41/17/350864117.db2.gz LGTZVMAUXAYIDJ-WDNDVIMCSA-N 1 0 242.407 1.667 10 0 BDAERO C[C@@H]1CCN([C@@H]2CCSC2)C[C@H]1[NH3+] ZINC000251597851 350899161 /nfs/dbraw/zinc/89/91/61/350899161.db2.gz GBAPNXRLFNLRTC-OPRDCNLKSA-N 1 0 200.351 1.161 10 0 BDAERO CCn1cc(C[NH2+][C@H]2CCC[C@H](O)C2)cn1 ZINC000226029916 350900902 /nfs/dbraw/zinc/90/09/02/350900902.db2.gz ZVXQVUUIGPAXGO-RYUDHWBXSA-N 1 0 223.320 1.296 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@]2(CN)CS[C@H](C)C2)C1 ZINC000251709850 350901170 /nfs/dbraw/zinc/90/11/70/350901170.db2.gz OVOYRGANLFMACY-GMTAPVOTSA-N 1 0 214.378 1.551 10 0 BDAERO C[NH2+][C@@H]1CCN(CC(F)(F)F)C[C@H]1C ZINC000251717075 350901947 /nfs/dbraw/zinc/90/19/47/350901947.db2.gz JSGUOUURMHKJTI-HTQZYQBOSA-N 1 0 210.243 1.479 10 0 BDAERO N[C@@H](CC[NH3+])c1c(F)cc(F)cc1F ZINC000306732289 350902449 /nfs/dbraw/zinc/90/24/49/350902449.db2.gz MGJCPNLGTCBMTR-QMMMGPOBSA-N 1 0 204.195 1.453 10 0 BDAERO [NH3+]C1(Cc2ccsc2)CCC(O)CC1 ZINC000306736292 350907523 /nfs/dbraw/zinc/90/75/23/350907523.db2.gz XHTZABCJVFZZPZ-UHFFFAOYSA-N 1 0 211.330 1.923 10 0 BDAERO C[C@H]1C[C@H](S(=O)(=O)CC[NH3+])C[C@@H](C)C1 ZINC000252205294 350910548 /nfs/dbraw/zinc/91/05/48/350910548.db2.gz XAZOXEJDPCMXRW-MYJAWHEDSA-N 1 0 219.350 1.185 10 0 BDAERO Nc1cccc([C@@H]2CCCN(CC[NH3+])C2)c1 ZINC000616620424 350940381 /nfs/dbraw/zinc/94/03/81/350940381.db2.gz JGPOLMNGCLKUTF-GFCCVEGCSA-N 1 0 219.332 1.407 10 0 BDAERO OCC[N@@H+]1CCC[C@H](c2cccc(CO)c2)C1 ZINC000616618521 350917868 /nfs/dbraw/zinc/91/78/68/350917868.db2.gz YJZHYRVMPMDBBS-AWEZNQCLSA-N 1 0 235.327 1.351 10 0 BDAERO Cc1oc(C)c(CN2CC[NH2+]CC2)c1C ZINC000082640796 180530932 /nfs/dbraw/zinc/53/09/32/180530932.db2.gz WSMIRYXFPWNCOX-UHFFFAOYSA-N 1 0 208.305 1.610 10 0 BDAERO CC(C)(C)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000616619805 350928386 /nfs/dbraw/zinc/92/83/86/350928386.db2.gz RHCGDZFATPUJJC-UHFFFAOYSA-N 1 0 208.309 1.783 10 0 BDAERO C1=CO[C@@H](C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000309085265 191126496 /nfs/dbraw/zinc/12/64/96/191126496.db2.gz WOFWJMAIMRTHRX-KKOKHZNYSA-N 1 0 209.289 1.161 10 0 BDAERO COc1nc([C@@]2([NH3+])CCCOC2)cs1 ZINC000306712100 350872816 /nfs/dbraw/zinc/87/28/16/350872816.db2.gz TUEKRNMLDSZEAY-SECBINFHSA-N 1 0 214.290 1.116 10 0 BDAERO Cc1ccccc1C[N@@H+](C)CCN(C)CCO ZINC000623091524 350875830 /nfs/dbraw/zinc/87/58/30/350875830.db2.gz GLPOKIRGGFJVFB-UHFFFAOYSA-N 1 0 236.359 1.351 10 0 BDAERO C[C@H]1CCC[C@@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623091886 350876358 /nfs/dbraw/zinc/87/63/58/350876358.db2.gz YRXZMQGTDPWADK-QWHCGFSZSA-N 1 0 228.380 1.421 10 0 BDAERO CN(CC[N@H+](C)CCO)Cc1cccs1 ZINC000623091533 350876365 /nfs/dbraw/zinc/87/63/65/350876365.db2.gz GWOAIMVRGWZLER-UHFFFAOYSA-N 1 0 228.361 1.104 10 0 BDAERO C[NH2+][C@@H]1CCCN([C@H]2CCCSC2)C1 ZINC000250762320 350885648 /nfs/dbraw/zinc/88/56/48/350885648.db2.gz ROTLVPOVCGAQPS-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO C[C@H](NC(N)=[NH2+])c1ccc(Cl)s1 ZINC000052020356 350888668 /nfs/dbraw/zinc/88/86/68/350888668.db2.gz MCNUOOBBFBLIRX-BYPYZUCNSA-N 1 0 203.698 1.946 10 0 BDAERO Cn1ncc(Br)c1[C@@H]1CC[NH2+]1 ZINC000306724206 350892944 /nfs/dbraw/zinc/89/29/44/350892944.db2.gz UGNIMKREDJDZOQ-LURJTMIESA-N 1 0 216.082 1.217 10 0 BDAERO [NH3+][C@H]1CCC[C@@](O)(Cc2cncs2)C1 ZINC000159675888 350963435 /nfs/dbraw/zinc/96/34/35/350963435.db2.gz JHFMQMDZSGABDE-WPRPVWTQSA-N 1 0 212.318 1.318 10 0 BDAERO [NH3+][C@]1(Cc2cncs2)CCCOCC1 ZINC000159686931 350972339 /nfs/dbraw/zinc/97/23/39/350972339.db2.gz KGRVRLGDTDKGKT-SNVBAGLBSA-N 1 0 212.318 1.584 10 0 BDAERO Nc1ccc(C[NH2+]Cc2ccccc2)nc1 ZINC000129064395 350977341 /nfs/dbraw/zinc/97/73/41/350977341.db2.gz ZAVQVWNTPKNMFV-UHFFFAOYSA-N 1 0 213.284 1.954 10 0 BDAERO [NH3+][C@H](Cc1cncs1)c1ncccn1 ZINC000159710262 350981685 /nfs/dbraw/zinc/98/16/85/350981685.db2.gz IKBFFJLJILKXPP-MRVPVSSYSA-N 1 0 206.274 1.176 10 0 BDAERO C[C@]1([C@@H]([NH3+])Cc2cncs2)CCCO1 ZINC000159734715 350989768 /nfs/dbraw/zinc/98/97/68/350989768.db2.gz IVVDWRKIDCPWHM-VHSXEESVSA-N 1 0 212.318 1.582 10 0 BDAERO CC[C@@H]([NH3+])Cc1cc(F)c(O)c(F)c1 ZINC000129136291 350996772 /nfs/dbraw/zinc/99/67/72/350996772.db2.gz YSRHOMQWQNIPOT-SSDOTTSWSA-N 1 0 201.216 1.950 10 0 BDAERO C[NH2+]C1(C)CCN([S@@](=O)C(C)C)CC1 ZINC000306769141 351001934 /nfs/dbraw/zinc/00/19/34/351001934.db2.gz AZJVBRQIZVIVGP-AWEZNQCLSA-N 1 0 218.366 1.132 10 0 BDAERO Cc1cccc2cc(C[NH3+])c(=O)n(C)c12 ZINC000258145388 351065090 /nfs/dbraw/zinc/06/50/90/351065090.db2.gz RMJJIVPNJTVTLY-UHFFFAOYSA-N 1 0 202.257 1.306 10 0 BDAERO C[C@H](C(=O)[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000306795075 351042684 /nfs/dbraw/zinc/04/26/84/351042684.db2.gz GGZSOKNQPMDUMU-DCAQKATOSA-N 1 0 211.305 1.370 10 0 BDAERO C[C@H](C(=O)[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000306795077 351042946 /nfs/dbraw/zinc/04/29/46/351042946.db2.gz GGZSOKNQPMDUMU-HBNTYKKESA-N 1 0 211.305 1.370 10 0 BDAERO Cc1oncc1-c1nc(C(C)(C)[NH3+])no1 ZINC000041052815 180553444 /nfs/dbraw/zinc/55/34/44/180553444.db2.gz PMPBXLVYCHMSRC-UHFFFAOYSA-N 1 0 208.221 1.227 10 0 BDAERO C[C@@H](CC(N)=S)[N@@H+]1CCCC1(C)C ZINC000063067253 351046631 /nfs/dbraw/zinc/04/66/31/351046631.db2.gz ZZCRMMJDNCDKHH-QMMMGPOBSA-N 1 0 200.351 1.926 10 0 BDAERO CC(C)N1CC([NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000306806872 351058544 /nfs/dbraw/zinc/05/85/44/351058544.db2.gz LCOLPTOUAPWCDK-VHSXEESVSA-N 1 0 214.378 1.563 10 0 BDAERO [NH3+]CCN1CCCC[C@@H](c2ccccn2)C1 ZINC000616629766 351100783 /nfs/dbraw/zinc/10/07/83/351100783.db2.gz QAUNCIQSDNYMRJ-GFCCVEGCSA-N 1 0 219.332 1.610 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2cccnn2)CC1 ZINC000616629744 351100870 /nfs/dbraw/zinc/10/08/70/351100870.db2.gz ZXYQAZDMCJSDFM-LLVKDONJSA-N 1 0 221.304 1.038 10 0 BDAERO CN1CC[NH2+][C@@H](c2ccc3ccnnc3c2)C1 ZINC000616632384 351111172 /nfs/dbraw/zinc/11/11/72/351111172.db2.gz PBYCGWFDHWELAZ-CYBMUJFWSA-N 1 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NC(=O)c1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000616622789 351087671 /nfs/dbraw/zinc/08/76/71/351087671.db2.gz SJFFZBBRYDYJSB-GFCCVEGCSA-N 1 0 218.300 1.990 10 0 BDAERO Cc1nc([C@@]2(F)CCC[NH2+]C2)cs1 ZINC000306819655 351087723 /nfs/dbraw/zinc/08/77/23/351087723.db2.gz CXVWPNPPTGNBAU-SECBINFHSA-N 1 0 200.282 2.000 10 0 BDAERO [NH3+]CCN1CCCCC[C@H]1c1ccccn1 ZINC000616624552 351091949 /nfs/dbraw/zinc/09/19/49/351091949.db2.gz ACWRCODQVJOEOP-ZDUSSCGKSA-N 1 0 219.332 1.957 10 0 BDAERO OCC[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000616625086 351092539 /nfs/dbraw/zinc/09/25/39/351092539.db2.gz VRCOZWKKAIWNAM-CYBMUJFWSA-N 1 0 220.316 1.991 10 0 BDAERO Nc1ncccc1[C@H]1CCCCC[N@@H+]1CCO ZINC000616625341 351094064 /nfs/dbraw/zinc/09/40/64/351094064.db2.gz ZHICNDNIVYWWLF-GFCCVEGCSA-N 1 0 235.331 1.573 10 0 BDAERO [NH3+]CCN1CCOC[C@H]1c1ccccc1F ZINC000616641103 351147148 /nfs/dbraw/zinc/14/71/48/351147148.db2.gz VXWZOKFJJWHMRE-LBPRGKRZSA-N 1 0 224.279 1.158 10 0 BDAERO C[C@@H]1CC[S@](=O)C[C@@H](C2CCC2)[NH2+]1 ZINC000306844470 351158073 /nfs/dbraw/zinc/15/80/73/351158073.db2.gz HHRUJXZFRAIZKB-DVYJOKAKSA-N 1 0 201.335 1.286 10 0 BDAERO CC(C)(C)N1CCO[C@@H](c2cnoc2)C1 ZINC000616645917 351169397 /nfs/dbraw/zinc/16/93/97/351169397.db2.gz VDKMSBYHRLIMHC-SNVBAGLBSA-N 1 0 210.277 1.846 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2cncnc2)C1 ZINC000616653656 351193674 /nfs/dbraw/zinc/19/36/74/351193674.db2.gz SFZSPCJVEPTNFG-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cc[nH]n1 ZINC000616646835 351172179 /nfs/dbraw/zinc/17/21/79/351172179.db2.gz WVXTUMHAIOHHDA-LLVKDONJSA-N 1 0 223.320 1.972 10 0 BDAERO C[C@H]1C[NH2+][C@]2(COC(C)(C)C2)SC1 ZINC000306855753 351175954 /nfs/dbraw/zinc/17/59/54/351175954.db2.gz WXFZETYRVGZXBB-WPRPVWTQSA-N 1 0 201.335 1.854 10 0 BDAERO CO[C@@H]1COCCCN1Cc1ccccc1 ZINC000616648710 351176630 /nfs/dbraw/zinc/17/66/30/351176630.db2.gz WEBHNMZUMQRJLC-CYBMUJFWSA-N 1 0 221.300 1.881 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2conn2)C1 ZINC000616653639 351193958 /nfs/dbraw/zinc/19/39/58/351193958.db2.gz RNHRDCJEVSTYKC-SNVBAGLBSA-N 1 0 211.265 1.241 10 0 BDAERO C[N@@H+]1CCCO[C@H](c2ccccc2CO)C1 ZINC000616650532 351184509 /nfs/dbraw/zinc/18/45/09/351184509.db2.gz CHGIUWXXQQGODZ-ZDUSSCGKSA-N 1 0 221.300 1.572 10 0 BDAERO Nc1ccc([C@@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616654827 351190834 /nfs/dbraw/zinc/19/08/34/351190834.db2.gz NWPBFLZXKCHDHV-CYBMUJFWSA-N 1 0 234.343 1.831 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1ccc(CCO)cc1 ZINC000616636826 351129425 /nfs/dbraw/zinc/12/94/25/351129425.db2.gz DPABWUTUCGSSRV-CQSZACIVSA-N 1 0 234.343 1.188 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1ccc2ccnnc2c1 ZINC000616636837 351129468 /nfs/dbraw/zinc/12/94/68/351129468.db2.gz DTABVQPWZMZRKZ-CQSZACIVSA-N 1 0 242.326 1.596 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1cccc(CCO)c1 ZINC000616637324 351132363 /nfs/dbraw/zinc/13/23/63/351132363.db2.gz KDDMKWNVCNTDRD-CQSZACIVSA-N 1 0 234.343 1.188 10 0 BDAERO NC(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000616639370 351144143 /nfs/dbraw/zinc/14/41/43/351144143.db2.gz UMTBHSRKRDPGJU-JTQLQIEISA-N 1 0 239.706 1.365 10 0 BDAERO CO[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616669233 351228910 /nfs/dbraw/zinc/22/89/10/351228910.db2.gz OOFXPDFLICDIMW-LBPRGKRZSA-N 1 0 206.289 1.370 10 0 BDAERO [NH3+]CCN1C[C@H](C(F)F)Cc2ccccc21 ZINC000616674114 351238082 /nfs/dbraw/zinc/23/80/82/351238082.db2.gz XNZAVTUTWHPIIC-SNVBAGLBSA-N 1 0 226.270 1.889 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2conn2)c2ccccc21 ZINC000616676832 351241612 /nfs/dbraw/zinc/24/16/12/351241612.db2.gz ZUVMWZHFXZGEKX-SNVBAGLBSA-N 1 0 244.298 1.370 10 0 BDAERO [NH3+]CCN1CC[C@H](c2c[nH]cn2)c2ccccc21 ZINC000616674958 351242343 /nfs/dbraw/zinc/24/23/43/351242343.db2.gz GQWFJDQXPQNAGJ-NSHDSACASA-N 1 0 242.326 1.710 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccon1 ZINC000616681092 351248749 /nfs/dbraw/zinc/24/87/49/351248749.db2.gz UOCQPYKIQKROHY-AWEZNQCLSA-N 1 0 243.310 1.581 10 0 BDAERO CCOC(=O)N1C[C@@H](C[NH3+])Nc2ccccc21 ZINC000616683561 351252277 /nfs/dbraw/zinc/25/22/77/351252277.db2.gz BYXSSJMEERNDRD-SECBINFHSA-N 1 0 235.287 1.402 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cnco1 ZINC000616682773 351253505 /nfs/dbraw/zinc/25/35/05/351253505.db2.gz LDRSKXWYGHRIMK-LBPRGKRZSA-N 1 0 244.298 1.607 10 0 BDAERO COC(=O)N1C[C@H](C[NH3+])Nc2ccccc21 ZINC000616685736 351258196 /nfs/dbraw/zinc/25/81/96/351258196.db2.gz QLGBBJGKYNHVIE-QMMMGPOBSA-N 1 0 221.260 1.012 10 0 BDAERO OC[C@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616657761 351199107 /nfs/dbraw/zinc/19/91/07/351199107.db2.gz GKYDIJRABYSAIN-CYBMUJFWSA-N 1 0 221.300 1.270 10 0 BDAERO c1cc2ccnnc2c([C@@H]2CCOCC[NH2+]2)c1 ZINC000616657627 351199125 /nfs/dbraw/zinc/19/91/25/351199125.db2.gz FRMYQRVNZMPNRR-LBPRGKRZSA-N 1 0 229.283 1.681 10 0 BDAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cc[nH]n1 ZINC000616655613 351200330 /nfs/dbraw/zinc/20/03/30/351200330.db2.gz IAEZUBUOZYKLBY-LLVKDONJSA-N 1 0 223.320 1.972 10 0 BDAERO C[N@@H+]1CCOCC[C@@H]1c1ccc(N)cc1 ZINC000616655612 351200600 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/nfs/dbraw/zinc/20/63/87/351206387.db2.gz BTSQYHIJMKWEEI-VIFPVBQESA-N 1 0 224.308 1.019 10 0 BDAERO CC[N@@H+]1CCOC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616659361 351207141 /nfs/dbraw/zinc/20/71/41/351207141.db2.gz IYKQWDVTLFPDCW-CYBMUJFWSA-N 1 0 248.326 1.221 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](c2c[nH]cn2)C1 ZINC000616661530 351209768 /nfs/dbraw/zinc/20/97/68/351209768.db2.gz UCHQNORJRNEJSB-JTQLQIEISA-N 1 0 209.293 1.234 10 0 BDAERO CC(C)(C)OC(=O)N1CCOC[C@@H](CC[NH3+])C1 ZINC000616661799 351210547 /nfs/dbraw/zinc/21/05/47/351210547.db2.gz ZFOOTZKIXIJHRQ-JTQLQIEISA-N 1 0 244.335 1.219 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cccnc2N)C1 ZINC000616660689 351213161 /nfs/dbraw/zinc/21/31/61/351213161.db2.gz NKYQXXXJJVFOOX-NSHDSACASA-N 1 0 249.358 1.878 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2cncnc2)C1 ZINC000616660654 351213435 /nfs/dbraw/zinc/21/34/35/351213435.db2.gz PANSCXHPOGLENS-GFCCVEGCSA-N 1 0 235.331 1.691 10 0 BDAERO CC(C)(C)OC(=O)NCC[C@H]1C[NH2+]CCOC1 ZINC000616660900 351213561 /nfs/dbraw/zinc/21/35/61/351213561.db2.gz RGXKEQNBXAOFOT-JTQLQIEISA-N 1 0 244.335 1.137 10 0 BDAERO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664034 351216784 /nfs/dbraw/zinc/21/67/84/351216784.db2.gz LWRXAKDBHUHABT-ZDUSSCGKSA-N 1 0 249.310 1.451 10 0 BDAERO CCOC(=O)c1ccccc1[C@@H]1CC[NH2+]CCO1 ZINC000616665126 351221480 /nfs/dbraw/zinc/22/14/80/351221480.db2.gz NDMHZWSSSMFOHX-ZDUSSCGKSA-N 1 0 249.310 1.914 10 0 BDAERO Nc1ccccc1[C@@H]1CC[N@H+](CCO)CCO1 ZINC000616665221 351222348 /nfs/dbraw/zinc/22/23/48/351222348.db2.gz BOSQFIWQLNHYGV-ZDUSSCGKSA-N 1 0 236.315 1.025 10 0 BDAERO CCOC(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063212773 351280918 /nfs/dbraw/zinc/28/09/18/351280918.db2.gz OIMLNASIBLGZIY-IUCAKERBSA-N 1 0 200.282 1.393 10 0 BDAERO Cc1nc(C)c(C[NH2+]C2CC(CO)C2)o1 ZINC000628352511 351316381 /nfs/dbraw/zinc/31/63/81/351316381.db2.gz LMEYSHBDYMKAAH-UHFFFAOYSA-N 1 0 210.277 1.152 10 0 BDAERO C[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C)CS1 ZINC000306911657 351323716 /nfs/dbraw/zinc/32/37/16/351323716.db2.gz QZJRIVHCGVIOCW-BBBLOLIVSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1nn(C(C)(C)C[NH3+])c(C)c1Br ZINC000168049125 351271345 /nfs/dbraw/zinc/27/13/45/351271345.db2.gz WJYYIVKVAVBAGJ-UHFFFAOYSA-N 1 0 246.152 1.956 10 0 BDAERO CCC1(NC2=[NH+]CCS2)CCOCC1 ZINC000306878885 351271968 /nfs/dbraw/zinc/27/19/68/351271968.db2.gz JBDGBFJDZOTSBI-UHFFFAOYSA-N 1 0 214.334 1.638 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1CN=S(C)(C)=O ZINC000306880481 351273461 /nfs/dbraw/zinc/27/34/61/351273461.db2.gz FXPZBQIOWQGKLV-BDAKNGLRSA-N 1 0 204.339 1.102 10 0 BDAERO [NH3+]Cc1ccccc1-n1nnc2ccccc21 ZINC000034973536 351371520 /nfs/dbraw/zinc/37/15/20/351371520.db2.gz RAJHTJMQLNZCDJ-UHFFFAOYSA-N 1 0 224.267 1.879 10 0 BDAERO CCc1ccc([C@@H]2COCC(N)=[NH+]2)s1 ZINC000306956326 351379720 /nfs/dbraw/zinc/37/97/20/351379720.db2.gz RHWRONYPJFIOLJ-QMMMGPOBSA-N 1 0 210.302 1.739 10 0 BDAERO CCc1ccc([C@H]2COCC(N)=[NH+]2)s1 ZINC000306956325 351380401 /nfs/dbraw/zinc/38/04/01/351380401.db2.gz RHWRONYPJFIOLJ-MRVPVSSYSA-N 1 0 210.302 1.739 10 0 BDAERO Cc1ccc([C@@]2(O)CC[NH2+]C2)cc1Cl ZINC000228773780 351346489 /nfs/dbraw/zinc/34/64/89/351346489.db2.gz HCXQRGZHLGNHPK-LLVKDONJSA-N 1 0 211.692 1.829 10 0 BDAERO C[C@H]([NH3+])[C@@H](O)c1cccc2cccnc21 ZINC000069050753 351347885 /nfs/dbraw/zinc/34/78/85/351347885.db2.gz ZNLMJAMICDVXPQ-QPUJVOFHSA-N 1 0 202.257 1.615 10 0 BDAERO C[C@H](CC(F)(F)F)N1CC[NH2+][C@@H](C)C1 ZINC000228778221 351348027 /nfs/dbraw/zinc/34/80/27/351348027.db2.gz MRDYQXPXDHMOJL-JGVFFNPUSA-N 1 0 210.243 1.621 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1cccc2cccnc21 ZINC000069050752 351348147 /nfs/dbraw/zinc/34/81/47/351348147.db2.gz ZNLMJAMICDVXPQ-PELKAZGASA-N 1 0 202.257 1.615 10 0 BDAERO CCCCCNC(=O)[C@H](C)[NH2+]CCCOCC ZINC000034938518 351353250 /nfs/dbraw/zinc/35/32/50/351353250.db2.gz CKUNYIORPGTNHU-LBPRGKRZSA-N 1 0 244.379 1.698 10 0 BDAERO COc1ccc([C@@H]([NH3+])c2cnn(C)c2)cc1 ZINC000034957674 351363160 /nfs/dbraw/zinc/36/31/60/351363160.db2.gz JUVMLVWPEGPGSZ-GFCCVEGCSA-N 1 0 217.272 1.477 10 0 BDAERO CC[C@@H]1CS[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000307021469 351429565 /nfs/dbraw/zinc/42/95/65/351429565.db2.gz XBBAWWMRJXDQCH-PSASIEDQSA-N 1 0 201.335 1.997 10 0 BDAERO CC1(C)SC[C@H]1N1CCC[C@H]([NH3+])C1 ZINC000307071785 351465646 /nfs/dbraw/zinc/46/56/46/351465646.db2.gz XOVUJUOCAYJOHL-DTWKUNHWSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@H](CC[NH3+])Nc1ccc(Cl)nn1 ZINC000307027292 351435410 /nfs/dbraw/zinc/43/54/10/351435410.db2.gz ZSKOAYZIRJIQAR-ZCFIWIBFSA-N 1 0 200.673 1.279 10 0 BDAERO C[C@@H]1[C@@H](C2CCC2)[NH2+]CCC[S@@]1=O ZINC000307039584 351436925 /nfs/dbraw/zinc/43/69/25/351436925.db2.gz IJWBZHYGESEBDU-DVYJOKAKSA-N 1 0 201.335 1.286 10 0 BDAERO ClC1=CCCN(C[C@@H]2CCC[NH2+]2)C1 ZINC000404440813 351457996 /nfs/dbraw/zinc/45/79/96/351457996.db2.gz XLTYNUYLQIGYDK-JTQLQIEISA-N 1 0 200.713 1.567 10 0 BDAERO C[C@@H]1CCSC(NC[C@H]2CCOC2)=[NH+]1 ZINC000133627842 351413764 /nfs/dbraw/zinc/41/37/64/351413764.db2.gz XYZSRWDHZAIBNI-RKDXNWHRSA-N 1 0 214.334 1.494 10 0 BDAERO Nc1ccc(N2CCCC3(C2)OCCO3)nc1 ZINC000133629507 351414631 /nfs/dbraw/zinc/41/46/31/351414631.db2.gz FPPPDOMXKBNAFQ-UHFFFAOYSA-N 1 0 235.287 1.007 10 0 BDAERO C[C@@H](C(N)=S)N1CCC=C(Br)C1 ZINC000404382757 351415624 /nfs/dbraw/zinc/41/56/24/351415624.db2.gz NUOVHLKTBCNJTO-LURJTMIESA-N 1 0 249.177 1.646 10 0 BDAERO [NH3+]C1(CN2CCC=C(Cl)C2)CCC1 ZINC000404393324 351421523 /nfs/dbraw/zinc/42/15/23/351421523.db2.gz OETQCZJUGTWWAT-UHFFFAOYSA-N 1 0 200.713 1.696 10 0 BDAERO C[C@H]1SCCS[C@@H]1C1=[NH+]CCN1 ZINC000307019611 351424164 /nfs/dbraw/zinc/42/41/64/351424164.db2.gz SDVAQIKUQKRBTN-RQJHMYQMSA-N 1 0 202.348 1.225 10 0 BDAERO C[C@H]1C[C@]2(COC(=O)N2)C[N@@H+]1Cc1ccccc1 ZINC000307145268 351498207 /nfs/dbraw/zinc/49/82/07/351498207.db2.gz MJLLKSAICHBOHA-SMDDNHRTSA-N 1 0 246.310 1.759 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1OC ZINC000725268189 538100363 /nfs/dbraw/zinc/10/03/63/538100363.db2.gz KJIZLLJQEZXZSN-GXFFZTMASA-N 1 0 236.315 1.108 10 0 BDAERO CC[C@](C)([C@@H](C)[NH3+])N1CCOC[C@H]1C ZINC000307150789 351505045 /nfs/dbraw/zinc/50/50/45/351505045.db2.gz UOCVKBPRVHPNGA-GMTAPVOTSA-N 1 0 200.326 1.223 10 0 BDAERO C/C(=C\Cl)CN1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000232008809 351506074 /nfs/dbraw/zinc/50/60/74/351506074.db2.gz SYTNTTMSPHNGSO-CXQRGBQISA-N 1 0 202.729 1.798 10 0 BDAERO C[C@H]1CN([C@@H]2CSC2(C)C)CCC1=O ZINC000307160114 351510735 /nfs/dbraw/zinc/51/07/35/351510735.db2.gz JPTXZJJBGNHHLG-WCBMZHEXSA-N 1 0 213.346 1.791 10 0 BDAERO CC[C@@H]1CC[NH2+][C@H](C2(O)CSC2)C1 ZINC000307124079 351489788 /nfs/dbraw/zinc/48/97/88/351489788.db2.gz QJUUNHBGHSCMQB-BDAKNGLRSA-N 1 0 201.335 1.243 10 0 BDAERO Cn1ccc([C@@H]([NH3+])[C@@]2(C)CCCS2)n1 ZINC000232013256 351529448 /nfs/dbraw/zinc/52/94/48/351529448.db2.gz CZYCPYJYXAWNPY-NXEZZACHSA-N 1 0 211.334 1.706 10 0 BDAERO CC[C@@H]1C[S@](=O)C[C@@H](C2CCC2)[NH2+]1 ZINC000307166774 351537181 /nfs/dbraw/zinc/53/71/81/351537181.db2.gz PVZURRGRKCZWEC-NRUUGDAUSA-N 1 0 201.335 1.286 10 0 BDAERO CC[C@@H]1CCN(CCF)C[C@H](C)C[NH2+]1 ZINC000307190231 351591729 /nfs/dbraw/zinc/59/17/29/351591729.db2.gz WVPRISIHRZBUHF-GHMZBOCLSA-N 1 0 202.317 1.666 10 0 BDAERO C[C@]1(C[NH3+])CC[C@](C)(c2nccs2)O1 ZINC000307193354 351594579 /nfs/dbraw/zinc/59/45/79/351594579.db2.gz GCSAQKPYGKGHHA-NXEZZACHSA-N 1 0 212.318 1.886 10 0 BDAERO CCC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)COC1 ZINC000393959681 259419380 /nfs/dbraw/zinc/41/93/80/259419380.db2.gz BYJGTALXZMEQSY-QJPTWQEYSA-N 1 0 239.359 1.816 10 0 BDAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000637797484 351629805 /nfs/dbraw/zinc/62/98/05/351629805.db2.gz BYPPMJKYTATXCG-WDEREUQCSA-N 1 0 222.332 1.516 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1CC1CC(F)(F)C1 ZINC000307253235 351779604 /nfs/dbraw/zinc/77/96/04/351779604.db2.gz UWPXDXAOBYFDPE-BDAKNGLRSA-N 1 0 205.248 1.392 10 0 BDAERO CC(C)CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCO1 ZINC000637908262 351781440 /nfs/dbraw/zinc/78/14/40/351781440.db2.gz BTHRDDCNHLXRHU-NEPJUHHUSA-N 1 0 242.363 1.387 10 0 BDAERO CS[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H]2C[NH3+])C1 ZINC000307253205 351784234 /nfs/dbraw/zinc/78/42/34/351784234.db2.gz UUGSFUIBMVXFIU-HBNTYKKESA-N 1 0 214.378 1.551 10 0 BDAERO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000637884905 351753821 /nfs/dbraw/zinc/75/38/21/351753821.db2.gz HTWPIIIIZNBMNV-RKDXNWHRSA-N 1 0 226.345 1.923 10 0 BDAERO C[C@@H]1OCCN[C@@H]1C(=O)c1cccs1 ZINC000307249072 351754810 /nfs/dbraw/zinc/75/48/10/351754810.db2.gz NXWYIJZYVJYBSC-CBAPKCEASA-N 1 0 211.286 1.308 10 0 BDAERO C[C@@H]1OCCN[C@H]1C(=O)c1cccs1 ZINC000307249073 351755247 /nfs/dbraw/zinc/75/52/47/351755247.db2.gz NXWYIJZYVJYBSC-IONNQARKSA-N 1 0 211.286 1.308 10 0 BDAERO CS[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2O)C1 ZINC000307251143 351770522 /nfs/dbraw/zinc/77/05/22/351770522.db2.gz QFXMHCQTQANVLM-UTLUCORTSA-N 1 0 201.335 1.337 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCCC1=O ZINC000307250846 351770635 /nfs/dbraw/zinc/77/06/35/351770635.db2.gz QALRPFKUENDCSR-MXWKQRLJSA-N 1 0 211.305 1.201 10 0 BDAERO CC[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)C(C)C ZINC000637952497 351827483 /nfs/dbraw/zinc/82/74/83/351827483.db2.gz QPOOBFHYDABHPC-WDEREUQCSA-N 1 0 210.321 1.585 10 0 BDAERO CC[C@H](NC(=O)CCC1C[NH2+]C1)C(C)C ZINC000637953790 351830292 /nfs/dbraw/zinc/83/02/92/351830292.db2.gz XZYGRPBZYWCCDO-NSHDSACASA-N 1 0 212.337 1.537 10 0 BDAERO C[C@@H]1C[C@@H](c2c(Br)cnn2C)C[NH2+]1 ZINC000307260793 351806339 /nfs/dbraw/zinc/80/63/39/351806339.db2.gz NQXNHDLUNJNHIM-RNFRBKRXSA-N 1 0 244.136 1.648 10 0 BDAERO C[C@@H]1CCS[C@@]2(CCC[NH2+][C@@H]2C)N1 ZINC000307270177 351817943 /nfs/dbraw/zinc/81/79/43/351817943.db2.gz NAJIIFPSAFXDEC-OPRDCNLKSA-N 1 0 200.351 1.570 10 0 BDAERO Brc1ccc(C[C@H]2C=CC[NH2+]2)nc1 ZINC000307299827 351918207 /nfs/dbraw/zinc/91/82/07/351918207.db2.gz BNYJGDWNGFHYGB-SECBINFHSA-N 1 0 239.116 1.915 10 0 BDAERO C[C@@H]([NH3+])c1csc(C2CSC2)n1 ZINC000404718252 351922044 /nfs/dbraw/zinc/92/20/44/351922044.db2.gz IRSDOGNIVXZIQO-RXMQYKEDSA-N 1 0 200.332 1.993 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1CC(F)(F)C(F)F ZINC000307296393 351907049 /nfs/dbraw/zinc/90/70/49/351907049.db2.gz QVYOWGWKWVZKJE-RITPCOANSA-N 1 0 215.190 1.247 10 0 BDAERO CC(C)[C@@H](C)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000725269906 538101818 /nfs/dbraw/zinc/10/18/18/538101818.db2.gz RXQYJNDVCURJLQ-VXGBXAGGSA-N 1 0 226.364 1.927 10 0 BDAERO O=C(NC[C@@H]1CCCCC[NH2+]1)C1CCC1 ZINC000725270204 538101879 /nfs/dbraw/zinc/10/18/79/538101879.db2.gz YQYBOSBAZCDLRS-NSHDSACASA-N 1 0 210.321 1.435 10 0 BDAERO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)O1 ZINC000638209619 352072228 /nfs/dbraw/zinc/07/22/28/352072228.db2.gz YOCRNOPXLVZVLE-CSYMLDBXSA-N 1 0 240.347 1.057 10 0 BDAERO C[C@@H]1C[C@](C[NH3+])(N2CC(C)(C)C2)CS1 ZINC000307322385 352015926 /nfs/dbraw/zinc/01/59/26/352015926.db2.gz YXLXFXZAMSEZAY-MWLCHTKSSA-N 1 0 214.378 1.551 10 0 BDAERO CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCO[C@@H]1C ZINC000638169352 352033164 /nfs/dbraw/zinc/03/31/64/352033164.db2.gz LGZRBUHTJLKOTK-VWYCJHECSA-N 1 0 228.336 1.044 10 0 BDAERO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000638281600 352116381 /nfs/dbraw/zinc/11/63/81/352116381.db2.gz SBIVCWQAEDAIFD-IUCAKERBSA-N 1 0 225.292 1.158 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC=CCC2)C[C@H]1[NH3+] ZINC000638332331 352154647 /nfs/dbraw/zinc/15/46/47/352154647.db2.gz NXPJPKSLPDEMRR-CMPLNLGQSA-N 1 0 222.332 1.538 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC=CCC2)C[C@@H]1[NH3+] ZINC000638332333 352154664 /nfs/dbraw/zinc/15/46/64/352154664.db2.gz NXPJPKSLPDEMRR-JQWIXIFHSA-N 1 0 222.332 1.538 10 0 BDAERO CC1(C)C[NH2+]CC[C@H]1Nc1nncs1 ZINC000300916517 363119616 /nfs/dbraw/zinc/11/96/16/363119616.db2.gz YDBZXSDPLVCUBZ-SSDOTTSWSA-N 1 0 212.322 1.338 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000252130201 363129635 /nfs/dbraw/zinc/12/96/35/363129635.db2.gz KRJQDHWXSYTXHA-IWSPIJDZSA-N 1 0 200.351 1.781 10 0 BDAERO O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000638455191 352265134 /nfs/dbraw/zinc/26/51/34/352265134.db2.gz SIQVNGCWAGVZAT-NOOOWODRSA-N 1 0 222.332 1.148 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)c1cnccn1 ZINC000226477917 363164018 /nfs/dbraw/zinc/16/40/18/363164018.db2.gz FOUWNHDLPDUVQP-IUCAKERBSA-N 1 0 205.261 1.177 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC1CCC(OC)CC1 ZINC000638445590 352254566 /nfs/dbraw/zinc/25/45/66/352254566.db2.gz OZFDYHGZRQBONO-VQXHTEKXSA-N 1 0 228.336 1.188 10 0 BDAERO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C1CC(C)C1 ZINC000638487264 352296702 /nfs/dbraw/zinc/29/67/02/352296702.db2.gz MIEYAKLNAYCFMS-MCIGGMRASA-N 1 0 224.348 1.489 10 0 BDAERO CS(=O)(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725270892 538102865 /nfs/dbraw/zinc/10/28/65/538102865.db2.gz GKASYEIAEJPYRR-VIFPVBQESA-N 1 0 226.301 1.004 10 0 BDAERO CCC(NC(=O)[C@H]([NH3+])COC)(C1CC1)C1CC1 ZINC000638510424 352334153 /nfs/dbraw/zinc/33/41/53/352334153.db2.gz QZHWAVYWSBKXGT-LLVKDONJSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@@H]1CS[C@]2(C[C@@H](C)O[C@@H](C)C2)[NH2+]1 ZINC000252161128 363187053 /nfs/dbraw/zinc/18/70/53/363187053.db2.gz PVYMCIJMUYWQQI-IMSYWVGJSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@@H]1CN(C(=O)C2(C)CC2)CC[C@H]1C[NH3+] ZINC000725271584 538103348 /nfs/dbraw/zinc/10/33/48/538103348.db2.gz PXTKENFILGMJSN-ZJUUUORDSA-N 1 0 210.321 1.230 10 0 BDAERO CCC(F)(F)C(C)(C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638598408 352430853 /nfs/dbraw/zinc/43/08/53/352430853.db2.gz QGJKMJHWNSCRIM-SECBINFHSA-N 1 0 248.317 1.784 10 0 BDAERO Cc1ncccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000638601425 352437134 /nfs/dbraw/zinc/43/71/34/352437134.db2.gz NLVVYUXAVJEXSQ-DGCLKSJQSA-N 1 0 247.342 1.381 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1cccnc1C ZINC000638602602 352438564 /nfs/dbraw/zinc/43/85/64/352438564.db2.gz VTPMIQOGWBKFNE-LLVKDONJSA-N 1 0 221.304 1.134 10 0 BDAERO COC[C@H]([NH3+])c1nscc1Br ZINC000404791147 352469893 /nfs/dbraw/zinc/46/98/93/352469893.db2.gz FBOKNTPOVCYACT-YFKPBYRVSA-N 1 0 237.122 1.552 10 0 BDAERO C[C@@H]1C[NH2+][C@H](C2CCC2)[C@H](C)[S@](=O)C1 ZINC000307371860 352470526 /nfs/dbraw/zinc/47/05/26/352470526.db2.gz QGFMLHJSNXRTPL-OCYKMNHNSA-N 1 0 215.362 1.532 10 0 BDAERO CC(C)C(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2 ZINC000725272227 538103893 /nfs/dbraw/zinc/10/38/93/538103893.db2.gz NXJOZPDIWIPRQY-NSHDSACASA-N 1 0 240.347 1.012 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1ccc(Br)cn1 ZINC000307371241 352471211 /nfs/dbraw/zinc/47/12/11/352471211.db2.gz PRZFBPFDABAIKZ-BQBZGAKWSA-N 1 0 244.136 1.992 10 0 BDAERO OC1CC[NH+]([C@@H]2CCC[C@@]34C[C@@H](CO3)[C@H]24)CC1 ZINC000725271863 538103549 /nfs/dbraw/zinc/10/35/49/538103549.db2.gz VMWMMLXYXRSCON-ASEORRQLSA-N 1 0 237.343 1.401 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000725271772 538103651 /nfs/dbraw/zinc/10/36/51/538103651.db2.gz SHZFFOVHKPPBLA-SDDRHHMPSA-N 1 0 226.364 1.866 10 0 BDAERO Cc1cnc(C[NH2+]C[C@H]2CCC[C@H]2O)o1 ZINC000638711085 352549745 /nfs/dbraw/zinc/54/97/45/352549745.db2.gz KERIVSZMRXPWLC-NXEZZACHSA-N 1 0 210.277 1.234 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1C[C@H](C)CC[C@H]1[NH3+] ZINC000252171199 363190822 /nfs/dbraw/zinc/19/08/22/363190822.db2.gz REXGMVNCHGDLNO-BBBLOLIVSA-N 1 0 219.350 1.326 10 0 BDAERO CC1(C)CN(C[C@@H]2CC[NH2+]2)CCS1 ZINC000307421908 352591353 /nfs/dbraw/zinc/59/13/53/352591353.db2.gz OCWOSHIZKHGOMR-VIFPVBQESA-N 1 0 200.351 1.176 10 0 BDAERO CC1(C)[C@H]([NH3+])C[C@@]1(O)C(F)(F)Br ZINC000404858232 352594286 /nfs/dbraw/zinc/59/42/86/352594286.db2.gz SYRVTOGCAAZZHG-XINAWCOVSA-N 1 0 244.079 1.462 10 0 BDAERO C[C@H]1C[NH2+]CCCN1C(=O)NCc1ccccc1 ZINC000307435596 352595921 /nfs/dbraw/zinc/59/59/21/352595921.db2.gz OEUIZGRUTZFELS-LBPRGKRZSA-N 1 0 247.342 1.580 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1cccc(O)c1 ZINC000111269767 352599017 /nfs/dbraw/zinc/59/90/17/352599017.db2.gz RBYAYJZTQPKRJE-ZWNOBZJWSA-N 1 0 248.326 1.206 10 0 BDAERO Cc1cc([C@]2(O)CCC[N@@H+](C)C2)sn1 ZINC000307475473 352619444 /nfs/dbraw/zinc/61/94/44/352619444.db2.gz KFQHDBOPLLYEGQ-JTQLQIEISA-N 1 0 212.318 1.365 10 0 BDAERO CC[C@](C)(C[NH3+])NC(=O)NCc1ccccc1 ZINC000232303824 352610178 /nfs/dbraw/zinc/61/01/78/352610178.db2.gz CJUQIWDFZUHVDN-CYBMUJFWSA-N 1 0 235.331 1.613 10 0 BDAERO C[NH2+][C@H](CO)CN(Cc1ccccc1)C1CC1 ZINC000307463640 352611802 /nfs/dbraw/zinc/61/18/02/352611802.db2.gz CDACYIINQDXZQX-ZDUSSCGKSA-N 1 0 234.343 1.231 10 0 BDAERO O=C(NCc1ccccc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000232307011 352612263 /nfs/dbraw/zinc/61/22/63/352612263.db2.gz JIRGMCAILVSYJE-STQMWFEESA-N 1 0 245.326 1.047 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1 ZINC000307465516 352615380 /nfs/dbraw/zinc/61/53/80/352615380.db2.gz MOFPYPSKZCWPBE-JQWIXIFHSA-N 1 0 233.315 1.236 10 0 BDAERO C[NH2+]Cc1cc(-c2csc(C)n2)on1 ZINC000229167037 352620028 /nfs/dbraw/zinc/62/00/28/352620028.db2.gz MWLKEXZGQAISBZ-UHFFFAOYSA-N 1 0 209.274 1.826 10 0 BDAERO [NH3+]C1CCC(C(=O)NC2(C(F)F)CC2)CC1 ZINC000638725356 352582910 /nfs/dbraw/zinc/58/29/10/352582910.db2.gz DXZFSQWVENUIOW-UHFFFAOYSA-N 1 0 232.274 1.418 10 0 BDAERO C[C@H]1CSC[C@H]1N1CC[NH2+][C@H](C)C1 ZINC000307409209 352585649 /nfs/dbraw/zinc/58/56/49/352585649.db2.gz FJMOLTMCOOFFHD-IVZWLZJFSA-N 1 0 200.351 1.032 10 0 BDAERO C[C@@H]1C[NH2+][C@]2(COCC2(C)C)SC1 ZINC000307570710 352658195 /nfs/dbraw/zinc/65/81/95/352658195.db2.gz CGYZRYIQNMWBFA-PSASIEDQSA-N 1 0 201.335 1.712 10 0 BDAERO C[C@H]1C[NH2+][C@@]2(COCC2(C)C)SC1 ZINC000307570717 352658421 /nfs/dbraw/zinc/65/84/21/352658421.db2.gz CGYZRYIQNMWBFA-WPRPVWTQSA-N 1 0 201.335 1.712 10 0 BDAERO C[C@H]1CC(Cc2csnn2)=C[C@@H]([NH3+])C1 ZINC000307572950 352658486 /nfs/dbraw/zinc/65/84/86/352658486.db2.gz ZKNRWTPCNPZAFR-CBAPKCEASA-N 1 0 209.318 1.764 10 0 BDAERO O=S1CCC([NH2+]C/C(Cl)=C\Cl)CC1 ZINC000229195128 352638323 /nfs/dbraw/zinc/63/83/23/352638323.db2.gz POFSLVARNFWQDG-FNORWQNLSA-N 1 0 242.171 1.806 10 0 BDAERO COc1cccc(Cl)c1C1(O)C[NH2+]C1 ZINC000307629804 352711563 /nfs/dbraw/zinc/71/15/63/352711563.db2.gz LMXSSZYWFMQLAA-UHFFFAOYSA-N 1 0 213.664 1.139 10 0 BDAERO c1ccc(CONC[C@H]2CCCC[NH2+]2)cc1 ZINC000232452606 352676934 /nfs/dbraw/zinc/67/69/34/352676934.db2.gz OARJWLZNOGUIGJ-CYBMUJFWSA-N 1 0 220.316 1.850 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2C1 ZINC000412047763 191243946 /nfs/dbraw/zinc/24/39/46/191243946.db2.gz PHNFFMAJQMFUSP-JHJVBQTASA-N 1 0 239.359 1.648 10 0 BDAERO Cc1cc(O)cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000638756540 352686613 /nfs/dbraw/zinc/68/66/13/352686613.db2.gz JOSLXAWRHYLYSR-NXEZZACHSA-N 1 0 234.299 1.767 10 0 BDAERO CC[C@H](C[NH3+])[C@H](O)C1(SC)CCC1 ZINC000379354265 538105250 /nfs/dbraw/zinc/10/52/50/538105250.db2.gz HZOZFODHVSUBNX-BDAKNGLRSA-N 1 0 203.351 1.618 10 0 BDAERO COC(=O)CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000037417094 358472583 /nfs/dbraw/zinc/47/25/83/358472583.db2.gz UWSVZAYYFQLGFH-GFCCVEGCSA-N 1 0 249.310 1.922 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@]1(C[NH3+])CCO ZINC000307670107 352749177 /nfs/dbraw/zinc/74/91/77/352749177.db2.gz PDCXYAMNGMMJTE-LBPRGKRZSA-N 1 0 244.335 1.097 10 0 BDAERO CCCCCC[C@H](C(=O)OC)N1CC[NH2+]CC1 ZINC000037963782 168678306 /nfs/dbraw/zinc/67/83/06/168678306.db2.gz HCCYPOXXPSIIIT-GFCCVEGCSA-N 1 0 242.363 1.404 10 0 BDAERO CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000090759544 187923777 /nfs/dbraw/zinc/92/37/77/187923777.db2.gz OLYCGJFETINCMR-OLZOCXBDSA-N 1 0 224.348 1.920 10 0 BDAERO Cc1nn(C(C)C)c(C)c1NC(=O)C[C@H](C)[NH3+] ZINC000037771095 187940932 /nfs/dbraw/zinc/94/09/32/187940932.db2.gz YSRCYCZUFJLTRX-QMMMGPOBSA-N 1 0 238.335 1.757 10 0 BDAERO OCC[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000306644587 353031532 /nfs/dbraw/zinc/03/15/32/353031532.db2.gz CNNQJVDPQRCPPU-SECBINFHSA-N 1 0 213.664 1.355 10 0 BDAERO O=[S@](CC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000306670472 353033463 /nfs/dbraw/zinc/03/34/63/353033463.db2.gz LWSSCICIAFMYER-CQSZACIVSA-N 1 0 229.732 1.667 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638858855 353035510 /nfs/dbraw/zinc/03/55/10/353035510.db2.gz WUZZAFCKTKYXGP-FPYNETTCSA-N 1 0 209.333 1.926 10 0 BDAERO COc1ccc(OCC[C@](C)(O)C[NH3+])cc1 ZINC000019668226 187934276 /nfs/dbraw/zinc/93/42/76/187934276.db2.gz LLZNRPZKTFUKAS-LBPRGKRZSA-N 1 0 225.288 1.174 10 0 BDAERO FC1(C[NH2+]C[C@H]2CC23CCOCC3)CC1 ZINC000389981756 353000998 /nfs/dbraw/zinc/00/09/98/353000998.db2.gz JIDHXNKVFVCMFW-SNVBAGLBSA-N 1 0 213.296 1.895 10 0 BDAERO O=C(N[C@H]1CCCC12CC2)[C@H]1CC[NH2+]C1 ZINC000638831436 353011191 /nfs/dbraw/zinc/01/11/91/353011191.db2.gz LHDKPLUYXSJJFG-UWVGGRQHSA-N 1 0 208.305 1.045 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCC12CC2 ZINC000638831706 353011959 /nfs/dbraw/zinc/01/19/59/353011959.db2.gz AHBUHWWJSLJXKW-GMTAPVOTSA-N 1 0 222.332 1.291 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCCC12CC2 ZINC000638831800 353012171 /nfs/dbraw/zinc/01/21/71/353012171.db2.gz BSIXFSATITWGNB-SDDRHHMPSA-N 1 0 236.359 1.823 10 0 BDAERO FC(F)(F)c1noc(CC2CC[NH2+]CC2)n1 ZINC000083107006 187969736 /nfs/dbraw/zinc/96/97/36/187969736.db2.gz AFTIGWJNQATWNM-UHFFFAOYSA-N 1 0 235.209 1.631 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@H]1C[NH3+] ZINC000638905288 353060288 /nfs/dbraw/zinc/06/02/88/353060288.db2.gz SPOHZNACZKWNCO-IJLUTSLNSA-N 1 0 222.332 1.396 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1C[NH3+] ZINC000638905899 353062436 /nfs/dbraw/zinc/06/24/36/353062436.db2.gz VEFFHEJGXWKARQ-VEGXAWMVSA-N 1 0 236.359 1.476 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1O ZINC000638903178 353064522 /nfs/dbraw/zinc/06/45/22/353064522.db2.gz NQWZKPPNDHANPF-JQWIXIFHSA-N 1 0 248.326 1.367 10 0 BDAERO Cc1cnc(S[C@H]2CCC[NH2+]C2)nc1 ZINC000043501770 187949460 /nfs/dbraw/zinc/94/94/60/187949460.db2.gz UAMIWPGKANLBHP-VIFPVBQESA-N 1 0 209.318 1.629 10 0 BDAERO CC(C)C[C@@H](CN(C)C)NC(=[NH2+])NC(C)(C)C ZINC000052043830 187954332 /nfs/dbraw/zinc/95/43/32/187954332.db2.gz VEBYGIRKWXABPQ-NSHDSACASA-N 1 0 242.411 1.875 10 0 BDAERO CCC(C)(C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000638865797 353039593 /nfs/dbraw/zinc/03/95/93/353039593.db2.gz JVVVVCSAVIFDRG-JTQLQIEISA-N 1 0 212.337 1.538 10 0 BDAERO CC(C)COc1ccc([C@H](C[NH3+])CO)cc1 ZINC000071531070 187960530 /nfs/dbraw/zinc/96/05/30/187960530.db2.gz GSCLTGZZLTXFIY-GFCCVEGCSA-N 1 0 223.316 1.756 10 0 BDAERO C[C@@H]1[C@H]([C@@H]2CC2(C)C)[NH2+]CC[S@@]1=O ZINC000306932721 353045876 /nfs/dbraw/zinc/04/58/76/353045876.db2.gz FAFUYMJUWAZXGX-VXFNFUGZSA-N 1 0 201.335 1.142 10 0 BDAERO C[C@H]1CN(C(=O)c2cccs2)C[C@H]1C[NH3+] ZINC000638887575 353049653 /nfs/dbraw/zinc/04/96/53/353049653.db2.gz WAYVXWXDTKNSFP-DTWKUNHWSA-N 1 0 224.329 1.415 10 0 BDAERO CCC(CC)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638889041 353050094 /nfs/dbraw/zinc/05/00/94/353050094.db2.gz ZRRDENFEPBXQDA-MWLCHTKSSA-N 1 0 212.337 1.476 10 0 BDAERO CCC(CC)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638889038 353050289 /nfs/dbraw/zinc/05/02/89/353050289.db2.gz ZRRDENFEPBXQDA-GXSJLCMTSA-N 1 0 212.337 1.476 10 0 BDAERO C/C(=C\Cl)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000307032595 353050733 /nfs/dbraw/zinc/05/07/33/353050733.db2.gz QCVRJSOMYNEQDO-IZRRHEBBSA-N 1 0 202.729 1.811 10 0 BDAERO Cc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638884484 353051398 /nfs/dbraw/zinc/05/13/98/353051398.db2.gz IAOFXAZEYXVUPQ-DGCLKSJQSA-N 1 0 232.327 1.662 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000638884895 353051919 /nfs/dbraw/zinc/05/19/19/353051919.db2.gz GSBHWHWGPFRRNN-SCZZXKLOSA-N 1 0 222.288 1.255 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000638884896 353052039 /nfs/dbraw/zinc/05/20/39/353052039.db2.gz GSBHWHWGPFRRNN-WCBMZHEXSA-N 1 0 222.288 1.255 10 0 BDAERO CC(C)CNC(=O)[C@H](CC[NH3+])C(C)C ZINC000076582778 187965245 /nfs/dbraw/zinc/96/52/45/187965245.db2.gz VBWDXTHSFCJZMQ-SNVBAGLBSA-N 1 0 200.326 1.380 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1C[NH3+] ZINC000638886320 353053590 /nfs/dbraw/zinc/05/35/90/353053590.db2.gz QDXCWWPNIUNSRK-ZJUUUORDSA-N 1 0 236.290 1.493 10 0 BDAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000638886776 353053847 /nfs/dbraw/zinc/05/38/47/353053847.db2.gz SOSXJZNJMLREQN-YPMHNXCESA-N 1 0 246.354 1.970 10 0 BDAERO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC000300989446 188002253 /nfs/dbraw/zinc/00/22/53/188002253.db2.gz VJGGBECANNUSGO-GHMZBOCLSA-N 1 0 212.337 1.537 10 0 BDAERO CC(C)[N@H+](C)[C@H](CN)Cc1ccccc1 ZINC000019258175 188002463 /nfs/dbraw/zinc/00/24/63/188002463.db2.gz AWLIBFOMAQISTE-ZDUSSCGKSA-N 1 0 206.333 1.897 10 0 BDAERO COC[C@@H](N)C[N@H+](Cc1ccccc1)C(C)C ZINC000160038484 353110936 /nfs/dbraw/zinc/11/09/36/353110936.db2.gz BOZSTFHSOVBGPJ-AWEZNQCLSA-N 1 0 236.359 1.871 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CCN1OCc1ccccc1 ZINC000307725322 353114086 /nfs/dbraw/zinc/11/40/86/353114086.db2.gz BRIHJMNUZQSSQC-WCQYABFASA-N 1 0 220.316 1.930 10 0 BDAERO CC(C)[C@H](C)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638917270 353081258 /nfs/dbraw/zinc/08/12/58/353081258.db2.gz USDPJPCCHRGJFS-GARJFASQSA-N 1 0 212.337 1.332 10 0 BDAERO CC1(C)COC[C@H]1NC1=[NH+]CCS1 ZINC000307562342 353084302 /nfs/dbraw/zinc/08/43/02/353084302.db2.gz KQBLDXPUZNVXQR-SSDOTTSWSA-N 1 0 200.307 1.104 10 0 BDAERO CC(=O)CCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000108380612 187990767 /nfs/dbraw/zinc/99/07/67/187990767.db2.gz QKKMJPIKKLWWKB-AWEZNQCLSA-N 1 0 238.375 1.916 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000309594569 187998306 /nfs/dbraw/zinc/99/83/06/187998306.db2.gz HZBFUWKNLSPRLF-XHVZSJERSA-N 1 0 224.348 1.678 10 0 BDAERO CC(C)Cn1cnnc1C[C@@H]1CCC[NH2+]1 ZINC000054526285 188007212 /nfs/dbraw/zinc/00/72/12/188007212.db2.gz RCHKONQEKVPJNV-JTQLQIEISA-N 1 0 208.309 1.229 10 0 BDAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccc(O)cc1 ZINC000054929239 188007493 /nfs/dbraw/zinc/00/74/93/188007493.db2.gz JDXBVBIJMWROLN-NWDGAFQWSA-N 1 0 209.289 1.799 10 0 BDAERO CC(C)(CC(N)=O)[NH2+]C[C@H]1Cc2ccccc21 ZINC000227059259 188011946 /nfs/dbraw/zinc/01/19/46/188011946.db2.gz WVOVSPRRJBYUNW-LLVKDONJSA-N 1 0 232.327 1.570 10 0 BDAERO Cc1cccc([C@]2(O)CCC[NH2+]C2)c1C ZINC000034475171 188012119 /nfs/dbraw/zinc/01/21/19/188012119.db2.gz DKSMEFXOLJQQKG-ZDUSSCGKSA-N 1 0 205.301 1.874 10 0 BDAERO CC(C)([NH3+])c1noc(C2CCOCC2)n1 ZINC000061673811 188012372 /nfs/dbraw/zinc/01/23/72/188012372.db2.gz 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WOVJJNNXVCTLPJ-GUBZILKMSA-N 1 0 201.335 1.778 10 0 BDAERO CC(C)c1nn(C2CC2)c2c1CC[NH2+]C2 ZINC000215848324 538110941 /nfs/dbraw/zinc/11/09/41/538110941.db2.gz DYTVYIJUCNSUEN-UHFFFAOYSA-N 1 0 205.305 1.987 10 0 BDAERO Cc1cc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cs1 ZINC000638994125 353230800 /nfs/dbraw/zinc/23/08/00/353230800.db2.gz JILKXGWCIMEJTF-IONNQARKSA-N 1 0 228.292 1.695 10 0 BDAERO FC(F)[C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC000091305194 180909589 /nfs/dbraw/zinc/90/95/89/180909589.db2.gz APMUCOGJSBXXEF-QMMMGPOBSA-N 1 0 205.248 1.800 10 0 BDAERO C[C@H](CC1CCC1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000638996189 353239855 /nfs/dbraw/zinc/23/98/55/353239855.db2.gz KKYUESYMVRTHJJ-USWWRNFRSA-N 1 0 224.348 1.809 10 0 BDAERO COC(=O)C(=O)C[C@H]1CCCCCC[NH2+]1 ZINC000301025295 538113141 /nfs/dbraw/zinc/11/31/41/538113141.db2.gz PBABVIYVYGCSPV-SECBINFHSA-N 1 0 213.277 1.041 10 0 BDAERO CC[C@@H]([NH2+][C@H](CCO)COC)C(C)(C)C ZINC000336769329 353284929 /nfs/dbraw/zinc/28/49/29/353284929.db2.gz UUNNZUYSKJAVRW-GHMZBOCLSA-N 1 0 217.353 1.798 10 0 BDAERO COC[C@H](C)[N@@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C ZINC000128393441 353290325 /nfs/dbraw/zinc/29/03/25/353290325.db2.gz XARJPOALGRMONI-VWYCJHECSA-N 1 0 200.326 1.094 10 0 BDAERO CC(C)[C@@H](C[NH3+])N1C[C@@H](C)OC[C@@H]1C ZINC000223180392 353309920 /nfs/dbraw/zinc/30/99/20/353309920.db2.gz RNNMLPMFMPAYGE-HBNTYKKESA-N 1 0 200.326 1.079 10 0 BDAERO CCN1CCO[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000226379655 538115758 /nfs/dbraw/zinc/11/57/58/538115758.db2.gz FVDPRFQPNVBOSJ-LLVKDONJSA-N 1 0 212.337 1.097 10 0 BDAERO C[C@H](C[N@H+](C)[C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000320661692 259445219 /nfs/dbraw/zinc/44/52/19/259445219.db2.gz LRWBCVRNLUEIGE-MNOVXSKESA-N 1 0 243.347 1.685 10 0 BDAERO Fc1ccc(NCC2CC[NH2+]CC2)nc1 ZINC000044509274 180976181 /nfs/dbraw/zinc/97/61/81/180976181.db2.gz AGGVITTWXLUOCU-UHFFFAOYSA-N 1 0 209.268 1.632 10 0 BDAERO Cc1nc(N[C@@]2(C)CC[NH2+]C2)sc1C ZINC000230748103 353529536 /nfs/dbraw/zinc/52/95/36/353529536.db2.gz FSVNCQYGRSESDN-JTQLQIEISA-N 1 0 211.334 1.924 10 0 BDAERO CCN1CC[C@H]([NH3+])[C@@H]1c1ncc(Cl)s1 ZINC000223272247 353595846 /nfs/dbraw/zinc/59/58/46/353595846.db2.gz UCEDWTOSNAOBLM-POYBYMJQSA-N 1 0 231.752 1.891 10 0 BDAERO Fc1ccccc1CC[C@H]1COCC[NH2+]1 ZINC000071511487 181012232 /nfs/dbraw/zinc/01/22/32/181012232.db2.gz DBCFYBQYQACQRT-NSHDSACASA-N 1 0 209.264 1.747 10 0 BDAERO C[C@@H]1CC[NH2+][C@]2(CCOC[C@H]2C)S1 ZINC000300980387 363259148 /nfs/dbraw/zinc/25/91/48/363259148.db2.gz ICKLGNCQVVTGOC-OPRDCNLKSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)c1cccnc1 ZINC000399056251 353745402 /nfs/dbraw/zinc/74/54/02/353745402.db2.gz ZSSUSISACLKVDN-GFCCVEGCSA-N 1 0 249.358 1.189 10 0 BDAERO CC[C@@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004414 491056072 /nfs/dbraw/zinc/05/60/72/491056072.db2.gz NRNCOEMEMHQSHQ-MNOVXSKESA-N 1 0 200.326 1.095 10 0 BDAERO CCC[C@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004429 491056081 /nfs/dbraw/zinc/05/60/81/491056081.db2.gz 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BHTRNUQPEJIUBF-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO CC[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113228844 354286809 /nfs/dbraw/zinc/28/68/09/354286809.db2.gz DJMCXMAPOZEOIF-SRVKXCTJSA-N 1 0 224.348 1.728 10 0 BDAERO O=C(CC(F)(F)F)N[C@H]1CCC[NH2+]CC1 ZINC000232236610 363365197 /nfs/dbraw/zinc/36/51/97/363365197.db2.gz NAYNJWSWORJAEG-ZETCQYMHSA-N 1 0 224.226 1.197 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000344668492 354341579 /nfs/dbraw/zinc/34/15/79/354341579.db2.gz AWBAQQLWXAAOPG-FRRDWIJNSA-N 1 0 243.347 1.027 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC(C1CC1)C1CC1 ZINC000083894655 354435905 /nfs/dbraw/zinc/43/59/05/354435905.db2.gz IUGGDKRMSVKQST-GFCCVEGCSA-N 1 0 224.348 1.666 10 0 BDAERO [NH3+]Cc1nc(-c2ccc(F)cn2)cs1 ZINC000134194284 354595868 /nfs/dbraw/zinc/59/58/68/354595868.db2.gz KBWVGDMUSOIHDO-UHFFFAOYSA-N 1 0 209.249 1.803 10 0 BDAERO CC1(C)[C@@H]([NH2+]CCCCO)[C@@H]2CCO[C@@H]21 ZINC000232865926 363387831 /nfs/dbraw/zinc/38/78/31/363387831.db2.gz GDVONZVXLIQACI-DCAQKATOSA-N 1 0 213.321 1.162 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]CC2CC(O)C2)CS1 ZINC000623748503 354934209 /nfs/dbraw/zinc/93/42/09/354934209.db2.gz RBQFQTGYWSPAJG-VKAADOFISA-N 1 0 215.362 1.631 10 0 BDAERO C[C@]1([NH3+])CCN(CC=C(Cl)Cl)C1 ZINC000405749343 355170423 /nfs/dbraw/zinc/17/04/23/355170423.db2.gz CESJEZNUIPNHJA-QMMMGPOBSA-N 1 0 209.120 1.729 10 0 BDAERO CC(C)c1nccnc1N[C@H](C)CC[NH+](C)C ZINC000413104400 191354696 /nfs/dbraw/zinc/35/46/96/191354696.db2.gz XLNSQOAFCCYRKP-LLVKDONJSA-N 1 0 236.363 1.774 10 0 BDAERO N[NH+]=C(N)Cc1cccc(Br)c1 ZINC000058563398 181185661 /nfs/dbraw/zinc/18/56/61/181185661.db2.gz SWSLSHJHNRXEHH-UHFFFAOYSA-N 1 0 228.093 1.432 10 0 BDAERO NC(=[NH2+])CCN1CCc2sccc2C1 ZINC000019488859 181186313 /nfs/dbraw/zinc/18/63/13/181186313.db2.gz JUJHPWXOIYIMAS-UHFFFAOYSA-N 1 0 209.318 1.432 10 0 BDAERO C[C@H]1C[NH2+][C@@]2(CCCN(C)C2)SC1 ZINC000134357760 355502125 /nfs/dbraw/zinc/50/21/25/355502125.db2.gz PJHCLBWVNPFWRJ-UWVGGRQHSA-N 1 0 200.351 1.381 10 0 BDAERO NC(=[NH2+])c1ccc(SCCO)c(F)c1 ZINC000036888208 181194977 /nfs/dbraw/zinc/19/49/77/181194977.db2.gz DMZGDZJQAJMEGN-UHFFFAOYSA-N 1 0 214.265 1.194 10 0 BDAERO NC(=[NH2+])c1ccc(Sc2ncccn2)nc1 ZINC000019870331 181195515 /nfs/dbraw/zinc/19/55/15/181195515.db2.gz UFIMREYYWAVMAT-UHFFFAOYSA-N 1 0 231.284 1.307 10 0 BDAERO NC(=[NH2+])c1cccnc1NCc1ccccc1 ZINC000062714524 181196148 /nfs/dbraw/zinc/19/61/48/181196148.db2.gz VQJGHUABMFYYOR-UHFFFAOYSA-N 1 0 226.283 1.978 10 0 BDAERO NC(=[NH2+])c1cccnc1Sc1ccccn1 ZINC000019863354 181196534 /nfs/dbraw/zinc/19/65/34/181196534.db2.gz ZYGXRZKIKURDJU-UHFFFAOYSA-N 1 0 230.296 1.912 10 0 BDAERO NC(=[NH2+])c1ccnc(OCC(F)(F)F)c1 ZINC000019481609 181196887 /nfs/dbraw/zinc/19/68/87/181196887.db2.gz QWHMFHFOXKYJMT-UHFFFAOYSA-N 1 0 219.166 1.307 10 0 BDAERO [NH2+]=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)NC1CCCC1 ZINC000249985703 181197030 /nfs/dbraw/zinc/19/70/30/181197030.db2.gz ZDCSKTCWWOIFEB-TUAOUCFPSA-N 1 0 237.347 1.610 10 0 BDAERO CC(C)(O)CC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000086829559 535286949 /nfs/dbraw/zinc/28/69/49/535286949.db2.gz ANKMIJJMVWAEPU-GFCCVEGCSA-N 1 0 226.364 1.318 10 0 BDAERO CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CC(=O)N(C)C1)OC ZINC000639321948 355723136 /nfs/dbraw/zinc/72/31/36/355723136.db2.gz QBMNQNPJUZCYNV-SDDRHHMPSA-N 1 0 242.363 1.115 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccnn2C)C1 ZINC000389174754 355756959 /nfs/dbraw/zinc/75/69/59/355756959.db2.gz OSDIJGGYBIHLHL-QWRGUYRKSA-N 1 0 222.336 1.165 10 0 BDAERO CCC(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398762106 355757043 /nfs/dbraw/zinc/75/70/43/355757043.db2.gz APLXPELPSWKZLV-OUCADQQQSA-N 1 0 239.359 1.839 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639355311 355809238 /nfs/dbraw/zinc/80/92/38/355809238.db2.gz SBNUTWNGADWBQD-RXGFPQBGSA-N 1 0 225.332 1.162 10 0 BDAERO CCn1cc(C[NH2+][C@H]2CCN(CC)C2)cn1 ZINC000389197254 355838633 /nfs/dbraw/zinc/83/86/33/355838633.db2.gz XOIJTNMTVWOAFV-LBPRGKRZSA-N 1 0 222.336 1.087 10 0 BDAERO O=C(Nc1cccc2c1C[NH2+]CC2)c1cc[nH]n1 ZINC000167373620 355985836 /nfs/dbraw/zinc/98/58/36/355985836.db2.gz BYERYSQYVLJWSO-UHFFFAOYSA-N 1 0 242.282 1.308 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1ccc(C(F)(F)F)nn1 ZINC000167118282 355958739 /nfs/dbraw/zinc/95/87/39/355958739.db2.gz SFKIEFOOXYSUGT-SSDOTTSWSA-N 1 0 248.252 1.891 10 0 BDAERO C[NH+]1C[C@@H]2CN(c3ccc(Cl)nn3)C[C@H]2C1 ZINC000114861989 355963684 /nfs/dbraw/zinc/96/36/84/355963684.db2.gz FGGZPKPZSOJWPE-RKDXNWHRSA-N 1 0 238.722 1.128 10 0 BDAERO NC(=O)C[NH2+][C@H]1CCSc2ccccc21 ZINC000022220782 181236332 /nfs/dbraw/zinc/23/63/32/181236332.db2.gz PWDKFTGBPJPBMB-VIFPVBQESA-N 1 0 222.313 1.298 10 0 BDAERO CS[C@H](C)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000395252350 356106596 /nfs/dbraw/zinc/10/65/96/356106596.db2.gz KKSOCPPVXICTDW-KXUCPTDWSA-N 1 0 230.377 1.242 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000020578112 181242198 /nfs/dbraw/zinc/24/21/98/181242198.db2.gz PTBLACJHIAPITB-MRVPVSSYSA-N 1 0 248.204 1.460 10 0 BDAERO NC(=O)Nc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038041368 181262953 /nfs/dbraw/zinc/26/29/53/181262953.db2.gz GEQKBTWFZMCVQJ-UHFFFAOYSA-N 1 0 234.303 1.341 10 0 BDAERO CC1(C)CO[C@H](C[N@@H+]2CC[C@H](CCO)C2)C1 ZINC000639500115 356329311 /nfs/dbraw/zinc/32/93/11/356329311.db2.gz PQKZUMLTMOHQRB-NEPJUHHUSA-N 1 0 227.348 1.506 10 0 BDAERO NC(=O)[C@@H]([NH3+])CSc1cccc(Cl)c1 ZINC000054186372 181265248 /nfs/dbraw/zinc/26/52/48/181265248.db2.gz NSBMGLBIRUVXMD-QMMMGPOBSA-N 1 0 230.720 1.245 10 0 BDAERO NC(=O)[C@@H]([NH2+]CC1CC1)c1cccc(Cl)c1 ZINC000038000905 181265438 /nfs/dbraw/zinc/26/54/38/181265438.db2.gz VWWBRMNKPKOGEL-NSHDSACASA-N 1 0 238.718 1.866 10 0 BDAERO NC(=O)[C@@H]1C[NH2+]C[C@@H](c2ccc(F)cc2)C1 ZINC000082162829 181272270 /nfs/dbraw/zinc/27/22/70/181272270.db2.gz WKRMGQJZQSKDNJ-UWVGGRQHSA-N 1 0 222.263 1.004 10 0 BDAERO Cc1ccc(C(=O)[C@](C)([NH3+])C2CC2)cn1 ZINC000168557140 356418039 /nfs/dbraw/zinc/41/80/39/356418039.db2.gz YZHKSXLVENZLFA-GFCCVEGCSA-N 1 0 204.273 1.700 10 0 BDAERO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000336160301 134111301 /nfs/dbraw/zinc/11/13/01/134111301.db2.gz GFKBNUQVZNQOMW-STQMWFEESA-N 1 0 237.343 1.999 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCC1)c1ccsc1 ZINC000037968692 181278113 /nfs/dbraw/zinc/27/81/13/181278113.db2.gz YCVIYPPEZYRAEW-SNVBAGLBSA-N 1 0 224.329 1.807 10 0 BDAERO NC(=O)[C@H]1C[NH2+]C[C@H](c2ccc(F)cc2)C1 ZINC000082162831 181283260 /nfs/dbraw/zinc/28/32/60/181283260.db2.gz WKRMGQJZQSKDNJ-NXEZZACHSA-N 1 0 222.263 1.004 10 0 BDAERO CCC1(C)CC[NH+]([C@@H]2COC[C@@H]2OC)CC1 ZINC000336186891 134121604 /nfs/dbraw/zinc/12/16/04/134121604.db2.gz HNFWNMKEZUZOON-NEPJUHHUSA-N 1 0 227.348 1.912 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCOCC1CC1 ZINC000421022094 192306106 /nfs/dbraw/zinc/30/61/06/192306106.db2.gz QFJOYCFOGPZZQQ-CMPLNLGQSA-N 1 0 213.321 1.258 10 0 BDAERO COC(=O)C[C@](C)([NH3+])c1ccc(Cl)nc1 ZINC000238377293 363487915 /nfs/dbraw/zinc/48/79/15/363487915.db2.gz CQGREQPQACRVEN-JTQLQIEISA-N 1 0 228.679 1.472 10 0 BDAERO COCC[NH2+]CC1(CCOC)CCCC1 ZINC000054656080 538471657 /nfs/dbraw/zinc/47/16/57/538471657.db2.gz URFUDJKHSBAGOB-UHFFFAOYSA-N 1 0 215.337 1.819 10 0 BDAERO CC(C)C[NH+](CC(C)C)[C@@H]1CNCC[C@@H]1O ZINC000675058333 538481737 /nfs/dbraw/zinc/48/17/37/538481737.db2.gz ANCPKBYXVBQVOV-OLZOCXBDSA-N 1 0 228.380 1.323 10 0 BDAERO CCC[N@H+](CC)C[C@@H]1CC[C@H](CO)O1 ZINC000675059145 538483122 /nfs/dbraw/zinc/48/31/22/538483122.db2.gz LLGAFTDOAFDHJK-WDEREUQCSA-N 1 0 201.310 1.258 10 0 BDAERO [NH3+]C[C@H]1CC(=O)N(C2CC2)[C@H]1c1ccncc1 ZINC000675058797 538483214 /nfs/dbraw/zinc/48/32/14/538483214.db2.gz XZKKWURXJMRTPL-MFKMUULPSA-N 1 0 231.299 1.092 10 0 BDAERO COCC[NH2+]C[C@@H](C)c1cccc(N)c1 ZINC000675051125 538473930 /nfs/dbraw/zinc/47/39/30/538473930.db2.gz MGADNEZNWCMNSJ-SNVBAGLBSA-N 1 0 208.305 1.608 10 0 BDAERO CC[NH2+]Cc1csc(-c2ccnnc2)n1 ZINC000675051674 538475355 /nfs/dbraw/zinc/47/53/55/538475355.db2.gz XPQDODOPLDPFGG-UHFFFAOYSA-N 1 0 220.301 1.710 10 0 BDAERO [NH3+]C[C@]12CCC[C@H]1N(C(=O)C1CC1)CC2 ZINC000675055925 538477185 /nfs/dbraw/zinc/47/71/85/538477185.db2.gz DJYVTTCIUIEDRY-ZYHUDNBSSA-N 1 0 208.305 1.126 10 0 BDAERO CC(C)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675056573 538478825 /nfs/dbraw/zinc/47/88/25/538478825.db2.gz SFAVMXVPCIDTJE-ZYHUDNBSSA-N 1 0 210.321 1.291 10 0 BDAERO CCC[C@@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675056530 538478963 /nfs/dbraw/zinc/47/89/63/538478963.db2.gz MGNDZFGUDUKDGQ-GRYCIOLGSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]([C@H]2CCCS(=O)(=O)C2)C1 ZINC000675059243 538484435 /nfs/dbraw/zinc/48/44/35/538484435.db2.gz FATPORRAWPANHJ-DCAQKATOSA-N 1 0 231.361 1.057 10 0 BDAERO CCC[C@@]1(C[NH3+])CN(C(=O)CC(C)C)CCO1 ZINC000675059861 538485911 /nfs/dbraw/zinc/48/59/11/538485911.db2.gz WPSCLRLIQCQFIP-CYBMUJFWSA-N 1 0 242.363 1.389 10 0 BDAERO CC(C)C(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675068826 538497171 /nfs/dbraw/zinc/49/71/71/538497171.db2.gz DVRHMCKXJYVBEO-GWOFURMSSA-N 1 0 210.321 1.132 10 0 BDAERO CSC[C@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675067372 538493620 /nfs/dbraw/zinc/49/36/20/538493620.db2.gz BNTHPASFOCUFPE-SECBINFHSA-N 1 0 211.334 1.589 10 0 BDAERO CC(C)(C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675069904 538499375 /nfs/dbraw/zinc/49/93/75/538499375.db2.gz JMWNATQVNGGQCM-UKKRHICBSA-N 1 0 224.348 1.522 10 0 BDAERO [NH3+]Cc1cc2c(F)cc(F)cc2[nH]c1=O ZINC000675069917 538499587 /nfs/dbraw/zinc/49/95/87/538499587.db2.gz MLBXVFDJGJZMKN-UHFFFAOYSA-N 1 0 210.183 1.677 10 0 BDAERO CC(C)(C)NC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675070153 538499677 /nfs/dbraw/zinc/49/96/77/538499677.db2.gz MJONRXBJCNWFBB-XWLWVQCSSA-N 1 0 239.363 1.458 10 0 BDAERO N[C@@H]1C=C(C[C@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076654 538511328 /nfs/dbraw/zinc/51/13/28/538511328.db2.gz FNOGBIFBDBWRQP-PSASIEDQSA-N 1 0 216.275 1.669 10 0 BDAERO [NH3+]Cc1cc2c(F)c(F)c(F)cc2[nH]c1=O ZINC000675070137 538499993 /nfs/dbraw/zinc/49/99/93/538499993.db2.gz QBYIDMHIUDKUTG-UHFFFAOYSA-N 1 0 228.173 1.816 10 0 BDAERO [NH3+]Cc1cc2c(F)c(F)c(F)c(F)c2[nH]c1=O ZINC000675070246 538500058 /nfs/dbraw/zinc/50/00/58/538500058.db2.gz TVAACBDOEKOFGG-UHFFFAOYSA-N 1 0 246.163 1.956 10 0 BDAERO [NH3+][C@@H]1C[C@@H]2C[C@H](CNC(=O)CC3CC3)C[C@H]12 ZINC000675070754 538500724 /nfs/dbraw/zinc/50/07/24/538500724.db2.gz SLZBGIYNYUMMJZ-FIQHERPVSA-N 1 0 222.332 1.276 10 0 BDAERO [NH3+][C@@H]1C[C@@H]2C[C@H](CNC(=O)CC3CC3)C[C@@H]12 ZINC000675070755 538500810 /nfs/dbraw/zinc/50/08/10/538500810.db2.gz SLZBGIYNYUMMJZ-NNYUYHANSA-N 1 0 222.332 1.276 10 0 BDAERO CC(C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675070353 538500817 /nfs/dbraw/zinc/50/08/17/538500817.db2.gz OSOXVFWSZZFZIY-VPOLOUISSA-N 1 0 210.321 1.132 10 0 BDAERO Cc1cc2c(cc1C)[C@H](CO)[NH2+]CCO2 ZINC000675072622 538503259 /nfs/dbraw/zinc/50/32/59/538503259.db2.gz AWPFPQIFAASBRY-NSHDSACASA-N 1 0 207.273 1.319 10 0 BDAERO COC(=O)[C@@H](C[NH3+])[C@@H]1CCCC(C)(C)C1 ZINC000675073057 538505190 /nfs/dbraw/zinc/50/51/90/538505190.db2.gz KIDQXXVVZOQOOY-ZJUUUORDSA-N 1 0 213.321 1.951 10 0 BDAERO [NH3+]C1(CCCNC(=O)C2CC2)CCCCC1 ZINC000675073465 538505787 /nfs/dbraw/zinc/50/57/87/538505787.db2.gz JJZARXHOLQAHJP-UHFFFAOYSA-N 1 0 224.348 1.954 10 0 BDAERO CC[NH2+][C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000675069222 538498179 /nfs/dbraw/zinc/49/81/79/538498179.db2.gz CWZWRLRBXNDCPZ-LBPRGKRZSA-N 1 0 248.326 1.406 10 0 BDAERO [NH3+]C[C@@H]1C[C@]1(CO)c1ccccc1Cl ZINC000675077824 538513600 /nfs/dbraw/zinc/51/36/00/538513600.db2.gz JAUZVXAEGQPQQW-GZMMTYOYSA-N 1 0 211.692 1.549 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(Br)cc1F ZINC000083557721 538513659 /nfs/dbraw/zinc/51/36/59/538513659.db2.gz WGHNAERNXDZBFN-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(F)cc1Br ZINC000083557829 538513825 /nfs/dbraw/zinc/51/38/25/538513825.db2.gz IJUCINMHQTWNGN-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+]CC[C@@H](O)c1cc(Br)ccc1F ZINC000083557725 538514198 /nfs/dbraw/zinc/51/41/98/538514198.db2.gz AWODCMRFUXKCBK-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO Cc1ccc(CC2=C[C@@H](N)C[NH2+]C2)cc1 ZINC000675077857 538514656 /nfs/dbraw/zinc/51/46/56/538514656.db2.gz SGCOZPMJOITQSW-CYBMUJFWSA-N 1 0 202.301 1.394 10 0 BDAERO N[C@H]1C=C(Cc2scnc2Cl)C[NH2+]C1 ZINC000675077903 538514958 /nfs/dbraw/zinc/51/49/58/538514958.db2.gz JVWSONOFBXFCRF-ZETCQYMHSA-N 1 0 229.736 1.196 10 0 BDAERO O[C@H]1C=C(Cc2ccccc2Cl)C[NH2+]C1 ZINC000675078110 538515271 /nfs/dbraw/zinc/51/52/71/538515271.db2.gz WBBRFTAUCPKXIH-NSHDSACASA-N 1 0 223.703 1.773 10 0 BDAERO Cc1ccccc1CC1=C[C@H](O)C[NH2+]C1 ZINC000675078396 538515418 /nfs/dbraw/zinc/51/54/18/538515418.db2.gz XUOLIVCJMXNRCI-ZDUSSCGKSA-N 1 0 203.285 1.428 10 0 BDAERO Cc1csc(C)c1C1=C[C@H]([NH3+])CNC1 ZINC000675079073 538517237 /nfs/dbraw/zinc/51/72/37/538517237.db2.gz VQVSYZOXANQNTI-JTQLQIEISA-N 1 0 208.330 1.679 10 0 BDAERO CC[C@@H]([NH3+])CNc1nnc(C(F)(F)F)s1 ZINC000168095478 134156276 /nfs/dbraw/zinc/15/62/76/134156276.db2.gz CBXJHSQBLDUECX-SCSAIBSYSA-N 1 0 240.254 1.706 10 0 BDAERO O[C@H]1C=C(c2ccc(Cl)s2)C[NH2+]C1 ZINC000675077370 538512677 /nfs/dbraw/zinc/51/26/77/538512677.db2.gz LXDQWXDDBNLRCH-ZETCQYMHSA-N 1 0 215.705 1.749 10 0 BDAERO CC(C)c1nc(C[C@@H]2CC[NH2+]C2)n(C)n1 ZINC000084381280 538532842 /nfs/dbraw/zinc/53/28/42/538532842.db2.gz MNJPALJKDPXUQO-VIFPVBQESA-N 1 0 208.309 1.091 10 0 BDAERO CCON(C(C)C)C1CCC([NH3+])CC1 ZINC000401241649 538533981 /nfs/dbraw/zinc/53/39/81/538533981.db2.gz VSLFKSOSCPQXIY-UHFFFAOYSA-N 1 0 200.326 1.918 10 0 BDAERO C[C@@H](C[NH3+])CNc1ncc(F)cc1F ZINC000160388534 356697835 /nfs/dbraw/zinc/69/78/35/356697835.db2.gz JCHFBTNNOUVQCW-LURJTMIESA-N 1 0 201.220 1.367 10 0 BDAERO CCC[C@@H](C[NH3+])[C@@H](O)c1cscn1 ZINC000127053603 538537555 /nfs/dbraw/zinc/53/75/55/538537555.db2.gz YGFRLFYJTPWHKC-IONNQARKSA-N 1 0 200.307 1.552 10 0 BDAERO CC[C@@H](C[NH3+])[C@@H](O)c1csc(C)n1 ZINC000127059718 538539206 /nfs/dbraw/zinc/53/92/06/538539206.db2.gz UJEQWSWIQRQCCB-IONNQARKSA-N 1 0 200.307 1.470 10 0 BDAERO CC[C@H](C[NH3+])[C@H](O)[C@@]1(C)CCCS1 ZINC000382336843 538559758 /nfs/dbraw/zinc/55/97/58/538559758.db2.gz YIEDHGNOUBPBHF-KXUCPTDWSA-N 1 0 203.351 1.618 10 0 BDAERO CC(C)(C)C(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000220485850 538542708 /nfs/dbraw/zinc/54/27/08/538542708.db2.gz KZICEZQZFHMTAO-UHFFFAOYSA-N 1 0 210.321 1.245 10 0 BDAERO C[NH+](C)C[C@H](O)CCCc1ccccc1 ZINC000085794080 538547071 /nfs/dbraw/zinc/54/70/71/538547071.db2.gz UNNOTAUKYKRJAI-CYBMUJFWSA-N 1 0 207.317 1.932 10 0 BDAERO CCc1c(Br)c(C[NH3+])nn1C ZINC000221208077 538554636 /nfs/dbraw/zinc/55/46/36/538554636.db2.gz FOPLPKUPKLCJGF-UHFFFAOYSA-N 1 0 218.098 1.204 10 0 BDAERO C[C@H]1COC[C@H](CC(=O)c2cscn2)[NH2+]1 ZINC000130389281 538590664 /nfs/dbraw/zinc/59/06/64/538590664.db2.gz HSGRIWJHGKEXFB-YUMQZZPRSA-N 1 0 226.301 1.093 10 0 BDAERO COc1ccccc1C[NH2+][C@H](C(N)=O)C(C)C ZINC000223962089 538595877 /nfs/dbraw/zinc/59/58/77/538595877.db2.gz LPFOMWZRCMZCHT-LBPRGKRZSA-N 1 0 236.315 1.295 10 0 BDAERO [NH3+][C@@H](Cc1ccc(O)cc1)c1ncccn1 ZINC000087181065 538564041 /nfs/dbraw/zinc/56/40/41/538564041.db2.gz AKCNSFBOYASLFL-NSHDSACASA-N 1 0 215.256 1.425 10 0 BDAERO CN1CC[C@@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000257580043 538737209 /nfs/dbraw/zinc/73/72/09/538737209.db2.gz FALAUYKCTAIKNT-NEPJUHHUSA-N 1 0 208.280 1.920 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)c2cncs2)C1 ZINC000389526995 356948727 /nfs/dbraw/zinc/94/87/27/356948727.db2.gz HVGXZCCLHVSSGF-UWVGGRQHSA-N 1 0 225.361 1.888 10 0 BDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C ZINC000119554059 357028209 /nfs/dbraw/zinc/02/82/09/357028209.db2.gz CGPFMQKUOSETCO-LLVKDONJSA-N 1 0 227.352 1.378 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000300228936 357035200 /nfs/dbraw/zinc/03/52/00/357035200.db2.gz HMTNHUZOSUZWLE-JHJVBQTASA-N 1 0 229.364 1.942 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1cnc2ccccc2n1 ZINC000389693215 357015949 /nfs/dbraw/zinc/01/59/49/357015949.db2.gz ACILYNBVNRBJOW-ZWNOBZJWSA-N 1 0 242.326 1.462 10 0 BDAERO [NH3+]C1(C(=O)Cc2ccncc2Cl)CC1 ZINC000226433857 357141233 /nfs/dbraw/zinc/14/12/33/357141233.db2.gz XHBWFSIDINUJHM-UHFFFAOYSA-N 1 0 210.664 1.338 10 0 BDAERO CCCCNC(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157201753 538812291 /nfs/dbraw/zinc/81/22/91/538812291.db2.gz FDNWYEJPOLOSCT-NSHDSACASA-N 1 0 213.325 1.228 10 0 BDAERO Cc1cncc(C(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000168739056 357202417 /nfs/dbraw/zinc/20/24/17/357202417.db2.gz OGKZARSXLDKJMD-NSHDSACASA-N 1 0 204.273 1.715 10 0 BDAERO COC[C@@H]1CCC[N@@H+]([C@H]2CCCC2=O)C1 ZINC000300058156 357180634 /nfs/dbraw/zinc/18/06/34/357180634.db2.gz VSQVPKJNPMZISO-MNOVXSKESA-N 1 0 211.305 1.466 10 0 BDAERO C[S@@](=O)C1(C[NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC000393701344 357293494 /nfs/dbraw/zinc/29/34/94/357293494.db2.gz CGMKPRIGZHKARQ-QLJPJBMISA-N 1 0 247.404 1.284 10 0 BDAERO Cc1cnc(C[NH2+]CC2(O)CCOCC2)s1 ZINC000394708722 357369970 /nfs/dbraw/zinc/36/99/70/357369970.db2.gz BZFNFNMDBGQXHN-UHFFFAOYSA-N 1 0 242.344 1.083 10 0 BDAERO COCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)C(C)C ZINC000168396193 134197882 /nfs/dbraw/zinc/19/78/82/134197882.db2.gz MJKPVVVDNLQWSN-AVGNSLFASA-N 1 0 229.364 1.798 10 0 BDAERO [NH3+][C@H]1c2cccc(Br)c2C[C@@H]1O ZINC000039941444 491110692 /nfs/dbraw/zinc/11/06/92/491110692.db2.gz RCLPAAUFGDPXOZ-IUCAKERBSA-N 1 0 228.089 1.366 10 0 BDAERO Cc1cc(C)c(C[NH2+]CC(C)(C)O)cn1 ZINC000397010389 357489011 /nfs/dbraw/zinc/48/90/11/357489011.db2.gz IWJISHXCLGWIHR-UHFFFAOYSA-N 1 0 208.305 1.559 10 0 BDAERO Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000397521701 357536945 /nfs/dbraw/zinc/53/69/45/357536945.db2.gz FTRJHAQYPDWNDT-ZIAGYGMSSA-N 1 0 234.343 1.826 10 0 BDAERO Cn1nccc1CC[N@@H+]1CCC[C@H]1CCCO ZINC000230886636 357576815 /nfs/dbraw/zinc/57/68/15/357576815.db2.gz YAELXTKHGVOUAZ-ZDUSSCGKSA-N 1 0 237.347 1.200 10 0 BDAERO Cc1cccc(NC(=O)NCC[C@@H](C)[NH3+])c1 ZINC000063170790 357552002 /nfs/dbraw/zinc/55/20/02/357552002.db2.gz NRSOZEYAUOEYDX-SNVBAGLBSA-N 1 0 221.304 1.854 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccs1 ZINC000085790273 357622835 /nfs/dbraw/zinc/62/28/35/357622835.db2.gz HXSULRXTWJHYCY-WDEREUQCSA-N 1 0 240.372 1.729 10 0 BDAERO C[C@@H]1C(=O)NCCC[N@H+]1CCCc1ccccc1 ZINC000189299396 357627269 /nfs/dbraw/zinc/62/72/69/357627269.db2.gz RKBNFEZYHZMODI-CYBMUJFWSA-N 1 0 246.354 1.830 10 0 BDAERO CC[C@@H](C[NH3+])[C@H](O)c1nc(C)cs1 ZINC000159702789 538878847 /nfs/dbraw/zinc/87/88/47/538878847.db2.gz CWOYDLPXOXEHEL-YUMQZZPRSA-N 1 0 200.307 1.470 10 0 BDAERO O=C(C[C@@H]1CCCC[NH2+]1)c1cscn1 ZINC000229142947 538881297 /nfs/dbraw/zinc/88/12/97/538881297.db2.gz NBXXQXCIMMQNKB-QMMMGPOBSA-N 1 0 210.302 1.858 10 0 BDAERO Cc1cccnc1CN1CCCNC(=O)[C@H]1C ZINC000189102409 357615687 /nfs/dbraw/zinc/61/56/87/357615687.db2.gz JUNARCJJQGGLOT-LLVKDONJSA-N 1 0 233.315 1.100 10 0 BDAERO C/C=C/C(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000685939272 538886148 /nfs/dbraw/zinc/88/61/48/538886148.db2.gz SAIASDZWJICAKF-QVBXTRIASA-N 1 0 244.338 1.906 10 0 BDAERO CC1(C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000685946786 538886445 /nfs/dbraw/zinc/88/64/45/538886445.db2.gz NIBDCMSLKHOXSR-JOYOIKCWSA-N 1 0 208.305 1.126 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685945850 538886993 /nfs/dbraw/zinc/88/69/93/538886993.db2.gz CNEUZUNZWFNPKJ-LPEHRKFASA-N 1 0 216.300 1.176 10 0 BDAERO CCOc1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000685946687 538887200 /nfs/dbraw/zinc/88/72/00/538887200.db2.gz USPLMUHGKRSOAU-OLZOCXBDSA-N 1 0 220.316 1.490 10 0 BDAERO CCC(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000685945792 538887241 /nfs/dbraw/zinc/88/72/41/538887241.db2.gz BEFHKDXEEZJQDH-JGVFFNPUSA-N 1 0 238.253 1.443 10 0 BDAERO COc1cccc([C@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685945975 538887532 /nfs/dbraw/zinc/88/75/32/538887532.db2.gz HVILWHJVLVCLTQ-VXGBXAGGSA-N 1 0 206.289 1.099 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000685945941 538887541 /nfs/dbraw/zinc/88/75/41/538887541.db2.gz HEHHXEAMXBKUSZ-VXGBXAGGSA-N 1 0 208.280 1.620 10 0 BDAERO CCCC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000685946055 538887686 /nfs/dbraw/zinc/88/76/86/538887686.db2.gz CLVVSQFDIDYROD-NSHDSACASA-N 1 0 224.348 1.907 10 0 BDAERO CC(C)(C)OC(=O)[C@H](C[NH3+])C(F)(F)F ZINC000685946794 538887913 /nfs/dbraw/zinc/88/79/13/538887913.db2.gz NKSCGLVUFYYXOV-YFKPBYRVSA-N 1 0 213.199 1.465 10 0 BDAERO CCC(C)(C)NC(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685946359 538888440 /nfs/dbraw/zinc/88/84/40/538888440.db2.gz QTRSTHFKRJNTBZ-RKDXNWHRSA-N 1 0 231.315 1.256 10 0 BDAERO Cc1cc([C@@H]2C[NH2+]C[C@]2(C)N)ccc1F ZINC000685947000 538888977 /nfs/dbraw/zinc/88/89/77/538888977.db2.gz YYDPJUMKHXRHMB-JQWIXIFHSA-N 1 0 208.280 1.538 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000685947374 538889236 /nfs/dbraw/zinc/88/92/36/538889236.db2.gz MKXXDFUJLQCVIR-LLVKDONJSA-N 1 0 224.348 1.491 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000685947664 538889836 /nfs/dbraw/zinc/88/98/36/538889836.db2.gz NHHODUCZEPTUHF-PWSUYJOCSA-N 1 0 212.337 1.618 10 0 BDAERO C[C@@H]1CCC[N@@H+]([C@H]2CCNC[C@@H]2F)C1 ZINC000685948408 538890897 /nfs/dbraw/zinc/89/08/97/538890897.db2.gz MPFYRNVGFNRMJT-VWYCJHECSA-N 1 0 200.301 1.418 10 0 BDAERO C[C@H](O)C[N@H+](C)[C@@H]1CCOC12CCCC2 ZINC000685949076 538891689 /nfs/dbraw/zinc/89/16/89/538891689.db2.gz JYELJNQCCBHVLW-WDEREUQCSA-N 1 0 213.321 1.401 10 0 BDAERO CCC[NH+](CCC)[C@@H]1CCNC[C@@H]1F ZINC000685948982 538892053 /nfs/dbraw/zinc/89/20/53/538892053.db2.gz ZCZXOBFBZPGXBK-WDEREUQCSA-N 1 0 202.317 1.808 10 0 BDAERO CC(C)C(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685949219 538892363 /nfs/dbraw/zinc/89/23/63/538892363.db2.gz MKCKSYBIIKEMBV-JQWIXIFHSA-N 1 0 210.321 1.515 10 0 BDAERO CCS(=O)(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000685949501 538892407 /nfs/dbraw/zinc/89/24/07/538892407.db2.gz SFXRIRICJZKZAH-UHFFFAOYSA-N 1 0 242.344 1.642 10 0 BDAERO CNC(=O)c1nc([C@H]2CCC[NH2+]2)sc1C ZINC000685949874 538892849 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/nfs/dbraw/zinc/22/22/27/358222227.db2.gz MJBNDLWOSCHWHF-UHFFFAOYSA-N 1 0 206.289 1.595 10 0 BDAERO c1cc(OCC2CC2)cc(OC2C[NH2+]C2)c1 ZINC000584591809 358250355 /nfs/dbraw/zinc/25/03/55/358250355.db2.gz MFFDTCSWIGBTNT-UHFFFAOYSA-N 1 0 219.284 1.826 10 0 BDAERO NS(=O)(=O)c1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000584596819 358254378 /nfs/dbraw/zinc/25/43/78/358254378.db2.gz MJWPCGREOFWAQV-LLVKDONJSA-N 1 0 240.328 1.149 10 0 BDAERO Cc1ncc(C2([NH3+])COC(C)(C)OC2)s1 ZINC000584615126 358279942 /nfs/dbraw/zinc/27/99/42/358279942.db2.gz RMBHUYQGKPTONW-UHFFFAOYSA-N 1 0 228.317 1.388 10 0 BDAERO CCCCCCSC[C@H]1C[NH2+]C[C@@H]1O ZINC000584608923 358269912 /nfs/dbraw/zinc/26/99/12/358269912.db2.gz CYYDRLSMCKWTDU-MNOVXSKESA-N 1 0 217.378 1.880 10 0 BDAERO Cc1cccc(Cc2c(C)[nH+]c(N)nc2N)c1 ZINC000584623931 358292124 /nfs/dbraw/zinc/29/21/24/358292124.db2.gz IBEBMBKNTMQPPX-UHFFFAOYSA-N 1 0 228.299 1.509 10 0 BDAERO COC(=O)[C@@H]1C[C@H]([NH3+])c2ccc(OC)cc2O1 ZINC000584626252 358295812 /nfs/dbraw/zinc/29/58/12/358295812.db2.gz GJDBEVKHUCOGPF-ONGXEEELSA-N 1 0 237.255 1.019 10 0 BDAERO [NH3+]CCN1C[C@@H]2CCCN2C2=C(F)C=CC[C@@H]21 ZINC000584647595 358302282 /nfs/dbraw/zinc/30/22/82/358302282.db2.gz FUQZCNOSUPKGOV-JQWIXIFHSA-N 1 0 237.322 1.235 10 0 BDAERO Cc1ccccc1[C@@]1(O)CC[N@@H+](C)[C@@H]1C ZINC000584635372 358319458 /nfs/dbraw/zinc/31/94/58/358319458.db2.gz WQWRKTBWRVBHIO-DGCLKSJQSA-N 1 0 205.301 1.907 10 0 BDAERO C/C(=C\[NH+]1CCC(O)(c2ccccc2)CC1)CO ZINC000584636857 358321566 /nfs/dbraw/zinc/32/15/66/358321566.db2.gz GTGPDONZKUTSFP-ACCUITESSA-N 1 0 247.338 1.866 10 0 BDAERO CC(C)(C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226094664 358333498 /nfs/dbraw/zinc/33/34/98/358333498.db2.gz TYSSISJHVUDQRW-IJLUTSLNSA-N 1 0 229.364 1.677 10 0 BDAERO OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226230057 358336695 /nfs/dbraw/zinc/33/66/95/358336695.db2.gz HELPIYLUPXWOSZ-RRFJBIMHSA-N 1 0 249.354 1.483 10 0 BDAERO NC(=O)c1ccc(C[NH2+]CC2CCC2)c(F)c1 ZINC000037180616 181296792 /nfs/dbraw/zinc/29/67/92/181296792.db2.gz MKDVYIZYXQDSPT-UHFFFAOYSA-N 1 0 236.290 1.814 10 0 BDAERO Nc1ccc2c(c1)C[N@@H+](CCn1cccn1)C2 ZINC000042542534 358351936 /nfs/dbraw/zinc/35/19/36/358351936.db2.gz JSRZWGUTOFPPLG-UHFFFAOYSA-N 1 0 228.299 1.481 10 0 BDAERO CC(C)c1nsc(N2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228164910 358370265 /nfs/dbraw/zinc/37/02/65/358370265.db2.gz LWUZZJGROLISCU-IUCAKERBSA-N 1 0 240.376 1.835 10 0 BDAERO NC(=O)c1ccc(F)c(C[NH2+]C2CCCC2)c1 ZINC000020037126 181297091 /nfs/dbraw/zinc/29/70/91/181297091.db2.gz HDDONIMVQJXAMA-UHFFFAOYSA-N 1 0 236.290 1.957 10 0 BDAERO C[C@@H](c1ccc[nH]1)[N@@H+]1CCCC[C@H]1CO ZINC000252370516 491132848 /nfs/dbraw/zinc/13/28/48/491132848.db2.gz YDPPGRYOVAPXBZ-QWRGUYRKSA-N 1 0 208.305 1.923 10 0 BDAERO CCn1ccnc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231465128 358419622 /nfs/dbraw/zinc/41/96/22/358419622.db2.gz SSWJVDHHWJFTRD-GFCCVEGCSA-N 1 0 236.363 1.477 10 0 BDAERO C[N@H+](C[C@@H]1CCCC1=O)[C@@H]1CCSC1 ZINC000053926717 358581048 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361576532 /nfs/dbraw/zinc/57/65/32/361576532.db2.gz WICVNLBXYBHVCM-WPRPVWTQSA-N 1 0 229.345 1.375 10 0 BDAERO [NH3+]C1CC(Nc2ncccc2Br)C1 ZINC000042376041 181340156 /nfs/dbraw/zinc/34/01/56/181340156.db2.gz MPLCZGKVIGKENM-UHFFFAOYSA-N 1 0 242.120 1.746 10 0 BDAERO [NH3+]C1CC(NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000036256505 181340738 /nfs/dbraw/zinc/34/07/38/181340738.db2.gz PUZXKFXFWJFGNV-UHFFFAOYSA-N 1 0 248.113 1.541 10 0 BDAERO [NH3+]CCSc1ccc(Br)cn1 ZINC000070614675 361629348 /nfs/dbraw/zinc/62/93/48/361629348.db2.gz FVAAJSYXQFAICI-UHFFFAOYSA-N 1 0 233.134 1.895 10 0 BDAERO [NH3+]C1CCC(Oc2ccc(CO)cc2)CC1 ZINC000055144166 181342112 /nfs/dbraw/zinc/34/21/12/181342112.db2.gz DNTJJEAAIYNCCZ-UHFFFAOYSA-N 1 0 221.300 1.828 10 0 BDAERO [NH3+]C1CCC(OCc2cscn2)CC1 ZINC000055142818 181342663 /nfs/dbraw/zinc/34/26/63/181342663.db2.gz KUEDFMYAHFPABG-UHFFFAOYSA-N 1 0 212.318 1.930 10 0 BDAERO [NH3+]C1CCC(OCCNC(=O)C2CCC2)CC1 ZINC000104384692 181342095 /nfs/dbraw/zinc/34/20/95/181342095.db2.gz BIHNZCMCOMVUNN-UHFFFAOYSA-N 1 0 240.347 1.189 10 0 BDAERO Cc1nn(C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000070630462 361682868 /nfs/dbraw/zinc/68/28/68/361682868.db2.gz KKKUJKHBTNEOIC-VIFPVBQESA-N 1 0 213.712 1.845 10 0 BDAERO Cc1ccn([C@H](C[NH3+])c2cccs2)n1 ZINC000070629241 361682924 /nfs/dbraw/zinc/68/29/24/361682924.db2.gz RFWQCMGIXZHNST-SECBINFHSA-N 1 0 207.302 1.801 10 0 BDAERO [NH3+]C1CCC(Nc2ncnc3c2CCC3)CC1 ZINC000061276428 181342924 /nfs/dbraw/zinc/34/29/24/181342924.db2.gz KRCOKJYFYTVBPU-UHFFFAOYSA-N 1 0 232.331 1.647 10 0 BDAERO C[C@H]1CC[C@]([NH2+]C2CCCC2)(C(N)=O)C1 ZINC000070644719 361693386 /nfs/dbraw/zinc/69/33/86/361693386.db2.gz IWAHXFQAAMPZOR-JOYOIKCWSA-N 1 0 210.321 1.563 10 0 BDAERO [NH3+]C1CCN(C[C@@H](O)c2cccs2)CC1 ZINC000011729503 181344627 /nfs/dbraw/zinc/34/46/27/181344627.db2.gz XJZZCQMEZDRIRG-SNVBAGLBSA-N 1 0 226.345 1.205 10 0 BDAERO [NH3+]C1CCN(Cc2nccnc2Cl)CC1 ZINC000095072408 181344722 /nfs/dbraw/zinc/34/47/22/181344722.db2.gz INFJRQJNIRQCJY-UHFFFAOYSA-N 1 0 226.711 1.053 10 0 BDAERO [NH3+]C1C[C@@H]2CC(O)(C(F)(F)F)C[C@H]2C1 ZINC000057218935 181345032 /nfs/dbraw/zinc/34/50/32/181345032.db2.gz OCSMNKFEZMIKBI-INFAEJQFSA-N 1 0 209.211 1.427 10 0 BDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)C2(O)C(F)(F)F ZINC000057218936 181345410 /nfs/dbraw/zinc/34/54/10/181345410.db2.gz YUAPVAAEJTUVBY-XEDAXZNXSA-N 1 0 209.211 1.427 10 0 BDAERO CN1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC000155663260 201346079 /nfs/dbraw/zinc/34/60/79/201346079.db2.gz DWEHTNMCPJPMFD-GFCCVEGCSA-N 1 0 212.337 1.097 10 0 BDAERO Cc1nsc(N[C@H](C)C[NH+](C)C)n1 ZINC000130624815 363820879 /nfs/dbraw/zinc/82/08/79/363820879.db2.gz YIEAXMWUMNRJBC-ZCFIWIBFSA-N 1 0 200.311 1.209 10 0 BDAERO CCc1nc(CN[C@@H]2CC[N@@H+](CC)C2)cs1 ZINC000328178257 363854742 /nfs/dbraw/zinc/85/47/42/363854742.db2.gz LWHZNBJMAAOZPN-SNVBAGLBSA-N 1 0 239.388 1.889 10 0 BDAERO CSC1([C@@H](O)C2(C[NH3+])CC2)CCC1 ZINC000308207313 541320443 /nfs/dbraw/zinc/32/04/43/541320443.db2.gz ZXCDPUUOJDTDGJ-QMMMGPOBSA-N 1 0 201.335 1.372 10 0 BDAERO CO[C@H]1CN(Cc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630355751 364077897 /nfs/dbraw/zinc/07/78/97/364077897.db2.gz KIZIYTYRXCUOOD-ZIAGYGMSSA-N 1 0 234.343 1.625 10 0 BDAERO CO[C@@H]1CN(C(=O)CCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630368199 364084703 /nfs/dbraw/zinc/08/47/03/364084703.db2.gz FWWSWCMVDNHOCG-WCQYABFASA-N 1 0 240.347 1.141 10 0 BDAERO CCCCC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630365843 364083260 /nfs/dbraw/zinc/08/32/60/364083260.db2.gz ZANCXMLIVSEENG-ZYHUDNBSSA-N 1 0 228.336 1.141 10 0 BDAERO CO[C@H]1CN(C(=O)CC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630365993 364083434 /nfs/dbraw/zinc/08/34/34/364083434.db2.gz JPBAQMZWCJHUMQ-DGCLKSJQSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1cnc(NC(=O)C2CCC([NH3+])CC2)s1 ZINC000037481752 364063032 /nfs/dbraw/zinc/06/30/32/364063032.db2.gz IJMGNRPIOHCTRN-UHFFFAOYSA-N 1 0 239.344 1.908 10 0 BDAERO [NH3+]CC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000040713158 181354997 /nfs/dbraw/zinc/35/49/97/181354997.db2.gz CVTXXQFCSMKHTH-UHFFFAOYSA-N 1 0 236.168 1.742 10 0 BDAERO CC[C@H](C)CC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630373062 364089150 /nfs/dbraw/zinc/08/91/50/364089150.db2.gz IUQQXVBOOBZNQK-DMDPSCGWSA-N 1 0 242.363 1.387 10 0 BDAERO C[C@@H]1CN(c2cnc3ccccc3n2)C[C@@H]1C[NH3+] ZINC000630387717 364103413 /nfs/dbraw/zinc/10/34/13/364103413.db2.gz ZBXAKDFIFAWVBY-MNOVXSKESA-N 1 0 242.326 1.661 10 0 BDAERO CC(C)CC[NH2+]C[C@@H](O)[C@@H]1COC(C)(C)O1 ZINC000725268948 541338113 /nfs/dbraw/zinc/33/81/13/541338113.db2.gz IFMXJRZAXLIBMB-MNOVXSKESA-N 1 0 231.336 1.135 10 0 BDAERO CCCOc1nccnc1N1CC[NH2+][C@@H](C)C1 ZINC000630509245 364195330 /nfs/dbraw/zinc/19/53/30/364195330.db2.gz LPHPVNDKFRIICP-JTQLQIEISA-N 1 0 236.319 1.064 10 0 BDAERO C[NH2+]CCOCCNc1cnc2ccccc2n1 ZINC000630529773 364217447 /nfs/dbraw/zinc/21/74/47/364217447.db2.gz DDIOTFNIUKTDMZ-UHFFFAOYSA-N 1 0 246.314 1.278 10 0 BDAERO C[NH2+]CCOCCNc1cccc(C)n1 ZINC000630530445 364218406 /nfs/dbraw/zinc/21/84/06/364218406.db2.gz KDTZEIUBEPERFV-UHFFFAOYSA-N 1 0 209.293 1.038 10 0 BDAERO Cc1cnc(N[C@@H]2CC[C@H](C)[NH2+]C2)nc1C ZINC000630532277 364221188 /nfs/dbraw/zinc/22/11/88/364221188.db2.gz HGWXHDCOIJIAQP-GXSJLCMTSA-N 1 0 220.320 1.646 10 0 BDAERO [NH3+]CC1(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000077420353 181358796 /nfs/dbraw/zinc/35/87/96/181358796.db2.gz PYLNGPDIPHVKDD-UHFFFAOYSA-N 1 0 248.282 1.135 10 0 BDAERO CCCOc1nccnc1N1CCC[C@@H]([NH3+])C1 ZINC000630505390 364191583 /nfs/dbraw/zinc/19/15/83/364191583.db2.gz BELQFSBGYLAERP-SNVBAGLBSA-N 1 0 236.319 1.193 10 0 BDAERO Cc1cnc(C)c(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000630538719 364234406 /nfs/dbraw/zinc/23/44/06/364234406.db2.gz OFNWNYUQWYPTPY-OKILXGFUSA-N 1 0 246.358 1.529 10 0 BDAERO CCc1nsc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630548401 364245124 /nfs/dbraw/zinc/24/51/24/364245124.db2.gz FSDSHFFWXIPYIZ-VIFPVBQESA-N 1 0 240.376 1.808 10 0 BDAERO Cc1nccc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630548658 364245337 /nfs/dbraw/zinc/24/53/37/364245337.db2.gz IHLKAAVXNYJOCP-NSHDSACASA-N 1 0 220.320 1.493 10 0 BDAERO CCc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)nc(C)n1 ZINC000630552337 364246351 /nfs/dbraw/zinc/24/63/51/364246351.db2.gz CYAIBYQSEDVVPQ-MWLCHTKSSA-N 1 0 234.347 1.378 10 0 BDAERO CCc1cc(CC)nc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630552332 364246594 /nfs/dbraw/zinc/24/65/94/364246594.db2.gz CVHQCUANWOGGCW-QWRGUYRKSA-N 1 0 248.374 1.632 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630554989 364253234 /nfs/dbraw/zinc/25/32/34/364253234.db2.gz XUAABQKMNLSTFY-CMPLNLGQSA-N 1 0 248.374 1.939 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2ncnc3[nH]ccc32)CC1 ZINC000630556579 364257743 /nfs/dbraw/zinc/25/77/43/364257743.db2.gz IULAARKQORZKQV-MGCOHNPYSA-N 1 0 245.330 1.887 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1nc2ccccc2n1C ZINC000630559172 364260567 /nfs/dbraw/zinc/26/05/67/364260567.db2.gz PLVUYYDZVUNAEF-NXEZZACHSA-N 1 0 230.315 1.499 10 0 BDAERO [NH3+]CC1(NC(=O)c2cccc(O)c2)CCCC1 ZINC000111822276 181360034 /nfs/dbraw/zinc/36/00/34/181360034.db2.gz UGVCINMHSBFNPY-UHFFFAOYSA-N 1 0 234.299 1.394 10 0 BDAERO O=C(C[C@@H]1CCCCC[NH2+]1)[C@@H]1CCOC1 ZINC000229651068 541356021 /nfs/dbraw/zinc/35/60/21/541356021.db2.gz MNDVKYLLQVRXAK-MNOVXSKESA-N 1 0 211.305 1.514 10 0 BDAERO C[C@H](CC[NH3+])Nc1nc2ccccc2o1 ZINC000134275731 364397117 /nfs/dbraw/zinc/39/71/17/364397117.db2.gz ODHWTYRKGWVTNN-MRVPVSSYSA-N 1 0 205.261 1.977 10 0 BDAERO C[C@H](CC[NH3+])Nc1ncnc2ccsc21 ZINC000134272827 364397286 /nfs/dbraw/zinc/39/72/86/364397286.db2.gz DDVQKJZBKRFQKF-SSDOTTSWSA-N 1 0 222.317 1.841 10 0 BDAERO Cc1cnc(C[NH2+][C@@H]2CCO[C@@H]2C)cn1 ZINC000134391406 364401443 /nfs/dbraw/zinc/40/14/43/364401443.db2.gz UWOGOCHILMUQCD-MWLCHTKSSA-N 1 0 207.277 1.052 10 0 BDAERO [NH3+]CC1CCC(C(=O)Nc2ccccn2)CC1 ZINC000000012054 181364127 /nfs/dbraw/zinc/36/41/27/181364127.db2.gz POCHKPZXNLTJCS-UHFFFAOYSA-N 1 0 233.315 1.785 10 0 BDAERO CN(C)[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037675145 364486878 /nfs/dbraw/zinc/48/68/78/364486878.db2.gz LAWBXEWQWCVIFC-LLVKDONJSA-N 1 0 236.315 1.409 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2COCC[C@H]2O)CC(C)(C)C1 ZINC000631750163 364594878 /nfs/dbraw/zinc/59/48/78/364594878.db2.gz XHEKHBNWTKHITC-YVECIDJPSA-N 1 0 241.375 1.941 10 0 BDAERO CCSCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246781289 364609690 /nfs/dbraw/zinc/60/96/90/364609690.db2.gz OPDXKDWZBKLORQ-NEPJUHHUSA-N 1 0 228.405 1.908 10 0 BDAERO CC[C@H](COC)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000247129659 364618970 /nfs/dbraw/zinc/61/89/70/364618970.db2.gz XAIJMRKWQIBDAY-IJLUTSLNSA-N 1 0 215.337 1.552 10 0 BDAERO COCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248033662 364626364 /nfs/dbraw/zinc/62/63/64/364626364.db2.gz RAYXXFZJJQJTNL-RYUDHWBXSA-N 1 0 213.321 1.260 10 0 BDAERO CCn1ccnc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247238247 364621000 /nfs/dbraw/zinc/62/10/00/364621000.db2.gz MYKYBCDUAIIRGF-OLZOCXBDSA-N 1 0 248.374 1.572 10 0 BDAERO [NH3+]CCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000040809772 181369379 /nfs/dbraw/zinc/36/93/79/181369379.db2.gz SXZWVAXZXZGEHY-UHFFFAOYSA-N 1 0 203.245 1.455 10 0 BDAERO [NH3+]CCC(=O)OCCc1cccc(F)c1 ZINC000077304509 181369743 /nfs/dbraw/zinc/36/97/43/181369743.db2.gz HFYLGMSTHLMLAD-UHFFFAOYSA-N 1 0 211.236 1.260 10 0 BDAERO Cc1nnsc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000324374904 364772760 /nfs/dbraw/zinc/77/27/60/364772760.db2.gz UVZWPTKPYGUAGS-VIFPVBQESA-N 1 0 229.349 1.343 10 0 BDAERO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2C)sn1 ZINC000399078438 364782093 /nfs/dbraw/zinc/78/20/93/364782093.db2.gz REXWKOFCIKHAOK-VXNVDRBHSA-N 1 0 228.317 1.419 10 0 BDAERO CCc1nc(CNCC[C@H](C)[NH3+])cs1 ZINC000336891805 364789731 /nfs/dbraw/zinc/78/97/31/364789731.db2.gz JAAGRQXLYQMSPN-QMMMGPOBSA-N 1 0 213.350 1.532 10 0 BDAERO C[C@@H](Nc1cccc(CO)c1)[C@H]1CCC[NH2+]C1 ZINC000573693920 364888384 /nfs/dbraw/zinc/88/83/84/364888384.db2.gz XUDVPPPBQLETAZ-YPMHNXCESA-N 1 0 234.343 1.979 10 0 BDAERO [NH3+]CCCC1(c2ccc(F)cc2)OCCO1 ZINC000033985862 181373602 /nfs/dbraw/zinc/37/36/02/181373602.db2.gz GOCRWQKOSCUNLY-UHFFFAOYSA-N 1 0 225.263 1.764 10 0 BDAERO [NH3+]CCCCCNC(=O)c1cccc(F)c1 ZINC000070626786 181375549 /nfs/dbraw/zinc/37/55/49/181375549.db2.gz OKIQWXLWPAQNCI-UHFFFAOYSA-N 1 0 224.279 1.685 10 0 BDAERO [NH3+]CCCN(C(=O)C1CC1)c1ccccc1 ZINC000020232274 181379392 /nfs/dbraw/zinc/37/93/92/181379392.db2.gz UMTCIMWXZFAMJX-UHFFFAOYSA-N 1 0 218.300 1.778 10 0 BDAERO CSCC[C@H](O)[C@@]1(C[NH3+])CC1(C)C ZINC000669377199 541436540 /nfs/dbraw/zinc/43/65/40/541436540.db2.gz JBDWUXAVCWPOQH-WPRPVWTQSA-N 1 0 203.351 1.475 10 0 BDAERO CC[C@@H](C[NH3+])[C@@H](O)c1scnc1Cl ZINC000669377052 541436550 /nfs/dbraw/zinc/43/65/50/541436550.db2.gz FKQBYJBIDSIMDX-NTSWFWBYSA-N 1 0 220.725 1.815 10 0 BDAERO [NH3+]CCCN1CCN(CCc2ccccc2)C1=O ZINC000077418118 181380657 /nfs/dbraw/zinc/38/06/57/181380657.db2.gz IHVSNTUQVNFEDR-UHFFFAOYSA-N 1 0 247.342 1.316 10 0 BDAERO [NH3+]CCCSc1nnc(C2CC2)n1C1CC1 ZINC000019811116 181384793 /nfs/dbraw/zinc/38/47/93/181384793.db2.gz LTQSNVLLSWDWJL-UHFFFAOYSA-N 1 0 238.360 1.931 10 0 BDAERO [NH3+]CCC[S@](=O)c1ccc(F)cc1F ZINC000040954858 181385740 /nfs/dbraw/zinc/38/57/40/181385740.db2.gz ZLYQGLHMZNXFKM-CQSZACIVSA-N 1 0 219.256 1.421 10 0 BDAERO [NH3+]CCC[S@@](=O)c1cccc(Cl)c1 ZINC000054185874 181385763 /nfs/dbraw/zinc/38/57/63/181385763.db2.gz CZCQAKHQRCPBNQ-ZDUSSCGKSA-N 1 0 217.721 1.796 10 0 BDAERO [NH3+]CCCc1nc2cccnc2n1C1CC1 ZINC000082535654 181387132 /nfs/dbraw/zinc/38/71/32/181387132.db2.gz BIMDEBTWLAGBEY-UHFFFAOYSA-N 1 0 216.288 1.658 10 0 BDAERO [NH3+]CCCc1nc(-c2ccncc2)c[nH]1 ZINC000036874294 181387728 /nfs/dbraw/zinc/38/77/28/181387728.db2.gz SRZBRGHBGGHSBM-UHFFFAOYSA-N 1 0 202.261 1.363 10 0 BDAERO [NH3+]CCCn1cncc1-c1ccccc1 ZINC000082655860 181389504 /nfs/dbraw/zinc/38/95/04/181389504.db2.gz UWFZBQUWUJOHHN-UHFFFAOYSA-N 1 0 201.273 1.899 10 0 BDAERO [NH3+]CCN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000076618303 181390041 /nfs/dbraw/zinc/39/00/41/181390041.db2.gz LSXDENKQIGDSAB-ZDUSSCGKSA-N 1 0 235.331 1.021 10 0 BDAERO [NH3+]CCN(Cc1ccco1)Cc1ccccn1 ZINC000076614640 181390266 /nfs/dbraw/zinc/39/02/66/181390266.db2.gz MIUXSVAGCQKAGW-UHFFFAOYSA-N 1 0 231.299 1.636 10 0 BDAERO NC(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000036730673 181380233 /nfs/dbraw/zinc/38/02/33/181380233.db2.gz OVGRSWRRCQFOHK-UHFFFAOYSA-N 1 0 211.240 1.060 10 0 BDAERO [NH3+]CCSCC(=O)Nc1cccc(F)c1 ZINC000019509145 181401364 /nfs/dbraw/zinc/40/13/64/181401364.db2.gz HXJAYIYQGJFOST-UHFFFAOYSA-N 1 0 228.292 1.456 10 0 BDAERO [NH3+]CC[C@@H](O)CCOc1ccccc1Cl ZINC000041251958 181402587 /nfs/dbraw/zinc/40/25/87/181402587.db2.gz DUFUUUHGJUPGJH-SECBINFHSA-N 1 0 229.707 1.819 10 0 BDAERO [NH3+]CCn1c(=O)oc2ccc(Cl)cc21 ZINC000074402194 181414841 /nfs/dbraw/zinc/41/48/41/181414841.db2.gz PZQAKNFTILNNJX-UHFFFAOYSA-N 1 0 212.636 1.207 10 0 BDAERO [NH3+]C[C@@H](O)Cc1ccccc1Br ZINC000071534509 181422693 /nfs/dbraw/zinc/42/26/93/181422693.db2.gz VOLLTUANSVUHHX-QMMMGPOBSA-N 1 0 230.105 1.311 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000019669508 181426818 /nfs/dbraw/zinc/42/68/18/181426818.db2.gz KRXGMFRFEVNKAD-QMMMGPOBSA-N 1 0 208.236 1.137 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1CC(=O)c1cccs1 ZINC000095072440 181427680 /nfs/dbraw/zinc/42/76/80/181427680.db2.gz AJNQUUZBHXYFIF-JTQLQIEISA-N 1 0 238.356 1.744 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@H]1OCC1CCOCC1 ZINC000052151129 181428379 /nfs/dbraw/zinc/42/83/79/181428379.db2.gz COTXAKZYMUAMMH-STQMWFEESA-N 1 0 227.348 1.947 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@]1(O)c1cccc(O)c1 ZINC000021986236 181428428 /nfs/dbraw/zinc/42/84/28/181428428.db2.gz MJTYLDGVLFSXDG-AAEUAGOBSA-N 1 0 221.300 1.729 10 0 BDAERO COc1ccc([C@H]2CO[C@H](C[NH3+])C2)cc1OC ZINC000675060617 541464052 /nfs/dbraw/zinc/46/40/52/541464052.db2.gz JUQJQVLGXRYWJE-MNOVXSKESA-N 1 0 237.299 1.535 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1cccc(C2CC2)c1 ZINC000685965919 541498043 /nfs/dbraw/zinc/49/80/43/541498043.db2.gz YTIANQNGSSCAPK-ZIAGYGMSSA-N 1 0 216.328 1.968 10 0 BDAERO CC(C)(C)c1cc2nccc(C[NH3+])n2n1 ZINC000232521316 541504940 /nfs/dbraw/zinc/50/49/40/541504940.db2.gz FXLIQGROQGCETR-UHFFFAOYSA-N 1 0 204.277 1.486 10 0 BDAERO CCOC(=O)[C@@H]1CNc2[nH+]c(CC)cn2C1 ZINC000233990563 541510991 /nfs/dbraw/zinc/51/09/91/541510991.db2.gz XWUDJDOPCQRDRT-MRVPVSSYSA-N 1 0 223.276 1.050 10 0 BDAERO CCCc1cc2n(n1)[C@@H]1CC[NH2+]C[C@H]1CN2 ZINC000233379292 541508760 /nfs/dbraw/zinc/50/87/60/541508760.db2.gz ZTWOQNOUKFAWDI-GXSJLCMTSA-N 1 0 220.320 1.412 10 0 BDAERO Cc1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000579814646 367018276 /nfs/dbraw/zinc/01/82/76/367018276.db2.gz ABGNSLUFJQUQCB-CYBMUJFWSA-N 1 0 232.331 1.365 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000366124244 367066016 /nfs/dbraw/zinc/06/60/16/367066016.db2.gz LHFNGPCTLAMPDF-KGLIPLIRSA-N 1 0 241.375 1.896 10 0 BDAERO OC1CC(CC[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000581321689 367348617 /nfs/dbraw/zinc/34/86/17/367348617.db2.gz VUDGJOHTCPRGBW-KIDURHIOSA-N 1 0 213.321 1.041 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)[C@@H]1C ZINC000380755051 367296999 /nfs/dbraw/zinc/29/69/99/367296999.db2.gz OBRSRZSQZQJNSU-CKYFFXLPSA-N 1 0 210.321 1.385 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@@H]1CC12CCOCC2 ZINC000381472278 367414149 /nfs/dbraw/zinc/41/41/49/367414149.db2.gz PAQMCHPOTBFIOQ-NEPJUHHUSA-N 1 0 227.348 1.675 10 0 BDAERO CCN(C(=O)C(C)C)[C@H]1CCC[NH2+]CC1 ZINC000381587229 367433272 /nfs/dbraw/zinc/43/32/72/367433272.db2.gz IAHPXTHKQGLZJC-NSHDSACASA-N 1 0 212.337 1.633 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000382188210 367496083 /nfs/dbraw/zinc/49/60/83/367496083.db2.gz BZPZIPCWVDPFJS-WUHRBBMRSA-N 1 0 209.333 1.926 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000382327495 367507793 /nfs/dbraw/zinc/50/77/93/367507793.db2.gz YIDJGZVTACMZCQ-MAUMQABQSA-N 1 0 239.237 1.067 10 0 BDAERO Cc1nccc(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000383477411 367626274 /nfs/dbraw/zinc/62/62/74/367626274.db2.gz NLEKOURXIIGMFG-ZETCQYMHSA-N 1 0 216.235 1.179 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000383249837 367609761 /nfs/dbraw/zinc/60/97/61/367609761.db2.gz WFMIGQCHIBWIIL-WYUUTHIRSA-N 1 0 224.348 1.761 10 0 BDAERO Cc1cc(C)nc(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000383422151 367620252 /nfs/dbraw/zinc/62/02/52/367620252.db2.gz ARPQRTMAGLLRCD-QMMMGPOBSA-N 1 0 230.262 1.488 10 0 BDAERO CCn1ccnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000383680156 367648847 /nfs/dbraw/zinc/64/88/47/367648847.db2.gz ONZNRUFCONTDNJ-QJPTWQEYSA-N 1 0 234.347 1.072 10 0 BDAERO CC(C)C1(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000384243465 367680079 /nfs/dbraw/zinc/68/00/79/367680079.db2.gz JRVCJXNABGXZRB-NEPJUHHUSA-N 1 0 238.375 1.927 10 0 BDAERO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000384521635 367696548 /nfs/dbraw/zinc/69/65/48/367696548.db2.gz BCJNTXIARUJKRO-NEPJUHHUSA-N 1 0 228.380 1.731 10 0 BDAERO COCCCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384911988 367755780 /nfs/dbraw/zinc/75/57/80/367755780.db2.gz PYXMKUBCLWWEJV-MNOVXSKESA-N 1 0 201.310 1.258 10 0 BDAERO COc1cc(C[NH2+][C@H]2CCCC[C@H]2O)sn1 ZINC000399217833 367908196 /nfs/dbraw/zinc/90/81/96/367908196.db2.gz XNDYDKGIEYJBCM-VHSXEESVSA-N 1 0 242.344 1.545 10 0 BDAERO Cc1cnc(N(C)C2CC([NH3+])C2)nc1C ZINC000386545490 367990791 /nfs/dbraw/zinc/99/07/91/367990791.db2.gz KPTYYDUIEFIPBT-UHFFFAOYSA-N 1 0 206.293 1.019 10 0 BDAERO CC(C)n1ncnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000386273927 367943497 /nfs/dbraw/zinc/94/34/97/367943497.db2.gz XVYGIYSMFXSZSS-TUAOUCFPSA-N 1 0 249.362 1.028 10 0 BDAERO Cc1cnc(N2CCC([C@@H](C)[NH3+])CC2)nc1C ZINC000386401662 367962904 /nfs/dbraw/zinc/96/29/04/367962904.db2.gz DOMARURBNXKOFD-SNVBAGLBSA-N 1 0 234.347 1.657 10 0 BDAERO Cc1cnc(N2CC[C@@H]([NH3+])[C@@H]2C)nc1C ZINC000386492907 367980052 /nfs/dbraw/zinc/98/00/52/367980052.db2.gz SNMYFRFQYXEQHP-VHSXEESVSA-N 1 0 206.293 1.019 10 0 BDAERO CN1CCCC[C@@H]([NH3+])[C@H]1c1cncs1 ZINC000252761070 368053029 /nfs/dbraw/zinc/05/30/29/368053029.db2.gz MSSYEIACKNXWMX-SCZZXKLOSA-N 1 0 211.334 1.627 10 0 BDAERO Cc1cnc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1C ZINC000386663871 368007896 /nfs/dbraw/zinc/00/78/96/368007896.db2.gz MVBSDEBLOXEOGL-FUNVUKJBSA-N 1 0 246.358 1.813 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H](C)O ZINC000386761477 368019563 /nfs/dbraw/zinc/01/95/63/368019563.db2.gz IMBHYZPVDOILAE-LMLFDSFASA-N 1 0 201.310 1.039 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H](C)O ZINC000386761479 368019933 /nfs/dbraw/zinc/01/99/33/368019933.db2.gz IMBHYZPVDOILAE-LNFKQOIKSA-N 1 0 201.310 1.039 10 0 BDAERO CCO[C@H]1COCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000581954962 368020640 /nfs/dbraw/zinc/02/06/40/368020640.db2.gz QNRKZYNNMSHQNN-LPWJVIDDSA-N 1 0 243.347 1.074 10 0 BDAERO C[C@@H]1C[N@H+](C)CC[C@H]1[N-]C(=O)C(F)(F)F ZINC000252890581 368165144 /nfs/dbraw/zinc/16/51/44/368165144.db2.gz HWSXBNOYOFLGCH-RNFRBKRXSA-N 1 0 224.226 1.005 10 0 BDAERO C[C@H]1CN([C@H](C[NH3+])C2CC2)CCS1 ZINC000252978916 368176354 /nfs/dbraw/zinc/17/63/54/368176354.db2.gz FFVNHCJMHCXSPS-WCBMZHEXSA-N 1 0 200.351 1.161 10 0 BDAERO O=C1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000038301942 368325677 /nfs/dbraw/zinc/32/56/77/368325677.db2.gz PFCXSNACHOIUGM-ZDUSSCGKSA-N 1 0 201.269 1.949 10 0 BDAERO O=C1N[C@H](c2ccccc2)CC12CC[NH2+]CC2 ZINC000141753507 368347956 /nfs/dbraw/zinc/34/79/56/368347956.db2.gz CCDRLYUESSUURT-LBPRGKRZSA-N 1 0 230.311 1.617 10 0 BDAERO COc1cc(F)c2ccnc(C[NH3+])c2c1 ZINC000074187113 368381584 /nfs/dbraw/zinc/38/15/84/368381584.db2.gz CMENKSWOTGJXBL-UHFFFAOYSA-N 1 0 206.220 1.841 10 0 BDAERO CC(C)[C@H]([NH3+])CN1CCS[C@H](C)[C@H]1C ZINC000253085326 368474493 /nfs/dbraw/zinc/47/44/93/368474493.db2.gz ZNLJMYFZEXLFML-GMTAPVOTSA-N 1 0 216.394 1.796 10 0 BDAERO C[NH2+][C@H](c1cncnc1)[C@H]1CCSC1 ZINC000161417565 368517673 /nfs/dbraw/zinc/51/76/73/368517673.db2.gz QUQQWTGEIZRXIB-WPRPVWTQSA-N 1 0 209.318 1.490 10 0 BDAERO CC(C)c1nsc(N2CCCC[C@@H]2C[NH3+])n1 ZINC000083670213 368801570 /nfs/dbraw/zinc/80/15/70/368801570.db2.gz YXXCPMPGSDWQHO-SECBINFHSA-N 1 0 240.376 1.979 10 0 BDAERO CC(C)c1nsc(N(C)CC[NH3+])n1 ZINC000083670446 368802053 /nfs/dbraw/zinc/80/20/53/368802053.db2.gz IPPYCZNFROATFD-UHFFFAOYSA-N 1 0 200.311 1.056 10 0 BDAERO [NH3+]CC(=O)N[C@@H]1CCCCc2ccccc21 ZINC000083908544 368839274 /nfs/dbraw/zinc/83/92/74/368839274.db2.gz ABLQBOJXPLAYBU-GFCCVEGCSA-N 1 0 218.300 1.529 10 0 BDAERO c1ccc2c(c1)CCC[C@]21C[NH2+]CCO1 ZINC000083471388 368780008 /nfs/dbraw/zinc/78/00/08/368780008.db2.gz VHPKXQQVPSIBPQ-ZDUSSCGKSA-N 1 0 203.285 1.838 10 0 BDAERO COC(=O)c1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000084574130 368857077 /nfs/dbraw/zinc/85/70/77/368857077.db2.gz UMLDOXCNVOGXDS-PHIMTYICSA-N 1 0 248.326 1.660 10 0 BDAERO C[C@@H]1CN(c2ncnc3c2CCC3)[C@@H](C)C[NH2+]1 ZINC000086470995 368881505 /nfs/dbraw/zinc/88/15/05/368881505.db2.gz NEUXMKQWMJIHHR-ZJUUUORDSA-N 1 0 232.331 1.152 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCCCc2ccccc21 ZINC000088335860 368911100 /nfs/dbraw/zinc/91/11/00/368911100.db2.gz SPDPBANDHODDPQ-LLVKDONJSA-N 1 0 232.327 1.964 10 0 BDAERO O=C(Nc1ccccc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321741 368977141 /nfs/dbraw/zinc/97/71/41/368977141.db2.gz PTABTAMYCQAYGF-GHMZBOCLSA-N 1 0 231.299 1.370 10 0 BDAERO C[C@@H]1CCS[C@]2(CC[NH2+]C[C@H]2C)N1 ZINC000253303436 368922944 /nfs/dbraw/zinc/92/29/44/368922944.db2.gz RQEGCTUXWWQDLD-BBBLOLIVSA-N 1 0 200.351 1.427 10 0 BDAERO NC(=O)[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000115685482 369005959 /nfs/dbraw/zinc/00/59/59/369005959.db2.gz CYWTXFRUTKRZFF-AWEZNQCLSA-N 1 0 240.306 1.709 10 0 BDAERO COc1ccc(N(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091540642 369013999 /nfs/dbraw/zinc/01/39/99/369013999.db2.gz ATAHKAFWOMYAPU-QWRGUYRKSA-N 1 0 248.326 1.785 10 0 BDAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000623766549 369030632 /nfs/dbraw/zinc/03/06/32/369030632.db2.gz ICBBTAUTCASMES-DOERSZECSA-N 1 0 239.359 1.718 10 0 BDAERO C[NH+](C)CCn1ncc2c1ncnc2Cl ZINC000054433631 369070446 /nfs/dbraw/zinc/07/04/46/369070446.db2.gz LEMCNRZXBSUDKZ-UHFFFAOYSA-N 1 0 225.683 1.041 10 0 BDAERO NC[C@H](C1CCOCC1)[NH+]1CCCCC1 ZINC000052176607 181442522 /nfs/dbraw/zinc/44/25/22/181442522.db2.gz ANXIAKBRWHVSKX-GFCCVEGCSA-N 1 0 212.337 1.226 10 0 BDAERO [NH3+]C[C@H](OC[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000042942796 181452224 /nfs/dbraw/zinc/45/22/24/181452224.db2.gz JHMDBEIUKZXSQY-MFKMUULPSA-N 1 0 239.290 1.879 10 0 BDAERO [NH3+]C[C@H](c1ccccc1F)N1CCC[C@H](O)C1 ZINC000043043704 181454981 /nfs/dbraw/zinc/45/49/81/181454981.db2.gz VTIVWHSAZQDCAR-GXFFZTMASA-N 1 0 238.306 1.282 10 0 BDAERO [NH3+]C[C@H](O)CSc1ccc2c(c1)CCC2 ZINC000036926421 181449180 /nfs/dbraw/zinc/44/91/80/181449180.db2.gz QWGXAGPWMDCXGF-NSHDSACASA-N 1 0 223.341 1.587 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1conn1 ZINC000616690643 369113334 /nfs/dbraw/zinc/11/33/34/369113334.db2.gz AMNUQURBSBNXCR-GFCCVEGCSA-N 1 0 245.286 1.002 10 0 BDAERO [NH3+]CCN1C[C@@H](C(F)F)Nc2ccccc21 ZINC000616692674 369114725 /nfs/dbraw/zinc/11/47/25/369114725.db2.gz LAIBMOADIUDNPD-VIFPVBQESA-N 1 0 227.258 1.511 10 0 BDAERO [NH3+]C[C@](O)(c1c[nH]c2ccccc21)C(F)(F)F ZINC000039947681 181468826 /nfs/dbraw/zinc/46/88/26/181468826.db2.gz ADKNARNQNHGXIL-JTQLQIEISA-N 1 0 244.216 1.877 10 0 BDAERO NC[C@]1([NH+]2CCCCCC2)CCSC1 ZINC000019518318 181470378 /nfs/dbraw/zinc/47/03/78/181470378.db2.gz XRBRDZCFXKVJCA-LLVKDONJSA-N 1 0 214.378 1.697 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1Sc1ncccn1 ZINC000035722213 181463308 /nfs/dbraw/zinc/46/33/08/181463308.db2.gz YSGIBPRKZKAIGJ-RKDXNWHRSA-N 1 0 209.318 1.696 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000106882224 369214766 /nfs/dbraw/zinc/21/47/66/369214766.db2.gz RCQDHNFJQVHOAL-SECBINFHSA-N 1 0 203.644 1.732 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccccc1F ZINC000623767450 369396118 /nfs/dbraw/zinc/39/61/18/369396118.db2.gz WFJNZVDLTNUQAK-TVYUQYBPSA-N 1 0 239.290 1.626 10 0 BDAERO C(C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1)C1CCCC1 ZINC000404212233 369422392 /nfs/dbraw/zinc/42/23/92/369422392.db2.gz WGIRUJTYQUTQFL-KBPBESRZSA-N 1 0 238.375 1.629 10 0 BDAERO OCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)o1 ZINC000230664392 369453927 /nfs/dbraw/zinc/45/39/27/369453927.db2.gz RISCEIWMRBJBCZ-MFKMUULPSA-N 1 0 239.315 1.413 10 0 BDAERO [NH3+]Cc1ccc(CNc2ncccn2)cc1 ZINC000037748147 181482546 /nfs/dbraw/zinc/48/25/46/181482546.db2.gz FLZVJJPQCFTMNZ-UHFFFAOYSA-N 1 0 214.272 1.547 10 0 BDAERO [NH3+]Cc1ccc(CNC(=O)c2ccco2)cc1 ZINC000037747789 181482549 /nfs/dbraw/zinc/48/25/49/181482549.db2.gz INIBMZBYBXHHJN-UHFFFAOYSA-N 1 0 230.267 1.668 10 0 BDAERO Nc1ccc(C[NH3+])cc1Br ZINC000044249338 181483880 /nfs/dbraw/zinc/48/38/80/181483880.db2.gz XZROQRMSJUCXKB-UHFFFAOYSA-N 1 0 201.067 1.490 10 0 BDAERO [NH3+]Cc1ccc(O[C@@H]2CCOC2=O)c(Cl)c1 ZINC000043477423 181485802 /nfs/dbraw/zinc/48/58/02/181485802.db2.gz ROGXHYZTAZMIGT-SNVBAGLBSA-N 1 0 241.674 1.493 10 0 BDAERO C[C@H]1CN(C(=O)NCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631000632 369599033 /nfs/dbraw/zinc/59/90/33/369599033.db2.gz HPGOZSGBJPZIPB-AAEUAGOBSA-N 1 0 247.342 1.423 10 0 BDAERO C[C@H]1CN(C(=O)NC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631001767 369690116 /nfs/dbraw/zinc/69/01/16/369690116.db2.gz SJYCJENHFFKSRI-QWRGUYRKSA-N 1 0 239.363 1.555 10 0 BDAERO CC(C)(C)[C@@H](O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621380680 370324368 /nfs/dbraw/zinc/32/43/68/370324368.db2.gz BNCTVNXWTRIZHS-NEPJUHHUSA-N 1 0 243.391 1.876 10 0 BDAERO CC1CC(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000621672485 370424737 /nfs/dbraw/zinc/42/47/37/370424737.db2.gz GXXNHCHCHVKKIB-LXKPXOPUSA-N 1 0 210.321 1.276 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC[C@H]1CC1(F)F ZINC000621674004 370425464 /nfs/dbraw/zinc/42/54/64/370425464.db2.gz KSDAWRBOVMZGTD-LPEHRKFASA-N 1 0 246.301 1.523 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC[C@H]1CC1(F)F ZINC000621674002 370426180 /nfs/dbraw/zinc/42/61/80/370426180.db2.gz KSDAWRBOVMZGTD-GUBZILKMSA-N 1 0 246.301 1.523 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000113267005 370396944 /nfs/dbraw/zinc/39/69/44/370396944.db2.gz IMTDMULNWKJKHN-HNNXBMFYSA-N 1 0 248.370 1.805 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC000113266800 370397157 /nfs/dbraw/zinc/39/71/57/370397157.db2.gz GLAQIDKFCYMXLT-HNNXBMFYSA-N 1 0 248.370 1.805 10 0 BDAERO Cc1nccnc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000621716609 370464782 /nfs/dbraw/zinc/46/47/82/370464782.db2.gz GXFQRMZFCAHYOL-YPMHNXCESA-N 1 0 246.358 1.454 10 0 BDAERO C[C@H](C[NH3+])Cc1ccc(Br)cn1 ZINC000161597319 370545595 /nfs/dbraw/zinc/54/55/95/370545595.db2.gz UTKHBYVLMTUTAP-ZETCQYMHSA-N 1 0 229.121 1.981 10 0 BDAERO C[NH2+]Cc1cnc(-c2nccs2)s1 ZINC000161600193 370546815 /nfs/dbraw/zinc/54/68/15/370546815.db2.gz COUQJNBKQIRKMQ-UHFFFAOYSA-N 1 0 211.315 1.986 10 0 BDAERO CC1=[N+]([O-])C(C)(C)C(c2ccc(C)cc2)=[N+]1O ZINC000225400137 370527071 /nfs/dbraw/zinc/52/70/71/370527071.db2.gz GIILCCZEZNNWOO-UHFFFAOYSA-N 1 0 234.299 1.798 10 0 BDAERO O=C1CCC[C@H]([N@@H+]2CCC[C@@H](CO)C2)C1 ZINC000225423308 370609036 /nfs/dbraw/zinc/60/90/36/370609036.db2.gz IKLBEDOXHOCBSO-MNOVXSKESA-N 1 0 211.305 1.202 10 0 BDAERO CCc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)o1 ZINC000623767000 371085983 /nfs/dbraw/zinc/08/59/83/371085983.db2.gz OOOYLZCZTWLNKN-RYUDHWBXSA-N 1 0 225.288 1.081 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000389853836 371178296 /nfs/dbraw/zinc/17/82/96/371178296.db2.gz ZJWHCXYBUMTQMD-QCNOEVLYSA-N 1 0 228.405 1.810 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(F)c(Br)c1 ZINC000044232877 181544664 /nfs/dbraw/zinc/54/46/64/181544664.db2.gz WQIUKVXKKQKVCT-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@@H]1CCCCO1 ZINC000623978003 371213041 /nfs/dbraw/zinc/21/30/41/371213041.db2.gz GTUCTIAGSJTHLX-BJDJZHNGSA-N 1 0 240.347 1.201 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)[C@@H]1CCCCO1 ZINC000624016916 371249777 /nfs/dbraw/zinc/24/97/77/371249777.db2.gz KEFCCXSETPCXOL-XKGSQUFQSA-N 1 0 213.321 1.305 10 0 BDAERO [NH3+][C@H](Cn1cccn1)c1cccc(O)c1 ZINC000011848816 181629035 /nfs/dbraw/zinc/62/90/35/181629035.db2.gz PQDYPHKXMBIJHP-LLVKDONJSA-N 1 0 203.245 1.289 10 0 BDAERO N[C@H]([C@H]([NH3+])Cc1ccccc1)C(F)(F)F ZINC000047845225 181626355 /nfs/dbraw/zinc/62/63/55/181626355.db2.gz QVVAVUSJVMSJQJ-RKDXNWHRSA-N 1 0 218.222 1.446 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cccnc1 ZINC000038049312 181641863 /nfs/dbraw/zinc/64/18/63/181641863.db2.gz GMAGWLKSAZSGRS-WDEREUQCSA-N 1 0 219.288 1.081 10 0 BDAERO [NH3+][C@H]1CCCN(CCc2cscn2)C1 ZINC000070585504 181643224 /nfs/dbraw/zinc/64/32/24/181643224.db2.gz ZGPVBIDXMDZUBX-VIFPVBQESA-N 1 0 211.334 1.109 10 0 BDAERO [NH3+][C@H]1CCC[C@H](CC(=O)NC2CCCC2)C1 ZINC000055091312 181647490 /nfs/dbraw/zinc/64/74/90/181647490.db2.gz NFNYNBPOHBJYKG-QWRGUYRKSA-N 1 0 224.348 1.953 10 0 BDAERO [NH3+][C@H]1C[C@H]1Nc1ccc(Br)cn1 ZINC000036267764 181660058 /nfs/dbraw/zinc/66/00/58/181660058.db2.gz NFCPRWRQEPXMKH-NKWVEPMBSA-N 1 0 228.093 1.356 10 0 BDAERO Nc1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000054134051 181731951 /nfs/dbraw/zinc/73/19/51/181731951.db2.gz AQMHBKNDKRGOFD-UHFFFAOYSA-N 1 0 230.315 1.714 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000624236190 371423614 /nfs/dbraw/zinc/42/36/14/371423614.db2.gz XVNTZFGCYSOOPB-NOOOWODRSA-N 1 0 213.321 1.305 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624235821 371423649 /nfs/dbraw/zinc/42/36/49/371423649.db2.gz QAQSZGONFMLHFP-UBHSHLNASA-N 1 0 235.327 1.795 10 0 BDAERO CC(C)C1CC([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000624237961 371426042 /nfs/dbraw/zinc/42/60/42/371426042.db2.gz HZEZVCBOZNZYEZ-HCWSGVFWSA-N 1 0 213.321 1.160 10 0 BDAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCOC[C@H]1O ZINC000624238605 371427188 /nfs/dbraw/zinc/42/71/88/371427188.db2.gz UVMSUTJMLPRRDU-IJLUTSLNSA-N 1 0 229.364 1.941 10 0 BDAERO Nc1cc[nH+]cc1C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000187788621 181765525 /nfs/dbraw/zinc/76/55/25/181765525.db2.gz WRRBNTCTRNOWDI-GHMZBOCLSA-N 1 0 245.326 1.926 10 0 BDAERO [NH3+]C[C@@](O)(C1CC1)C(F)(F)Br ZINC000225661755 371563695 /nfs/dbraw/zinc/56/36/95/371563695.db2.gz REDIIVPFRMATLM-RXMQYKEDSA-N 1 0 230.052 1.074 10 0 BDAERO C[C@@](O)(CC[NH3+])C(F)(F)Br ZINC000225681835 371565704 /nfs/dbraw/zinc/56/57/04/371565704.db2.gz ZFZAWEKHZAXGOK-SCSAIBSYSA-N 1 0 218.041 1.074 10 0 BDAERO C[NH2+]C[C@@H]1CCCO[C@@H]1c1cncs1 ZINC000161820025 371567033 /nfs/dbraw/zinc/56/70/33/371567033.db2.gz ZWTBILQLUMFRBL-WPRPVWTQSA-N 1 0 212.318 1.830 10 0 BDAERO CC(C)N1C(=[NH2+])NC[C@@H]1c1cncs1 ZINC000161836876 371569915 /nfs/dbraw/zinc/56/99/15/371569915.db2.gz HJSNXHNOMOMPPA-SSDOTTSWSA-N 1 0 210.306 1.223 10 0 BDAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc(Cl)cn1 ZINC000165727824 326425928 /nfs/dbraw/zinc/42/59/28/326425928.db2.gz ZWYHHKFZKKWCLK-RQJHMYQMSA-N 1 0 214.700 1.668 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1OCc1cncs1 ZINC000131487835 371610124 /nfs/dbraw/zinc/61/01/24/371610124.db2.gz UERDFUNPHPUESU-NXEZZACHSA-N 1 0 212.318 1.930 10 0 BDAERO Cc1nc(CC(=O)[C@H]2CCC[C@H]2[NH3+])cs1 ZINC000226486836 371676531 /nfs/dbraw/zinc/67/65/31/371676531.db2.gz ZYFJQTUGLJBLOI-VHSXEESVSA-N 1 0 224.329 1.691 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)c1cccc(F)c1 ZINC000226377450 371657010 /nfs/dbraw/zinc/65/70/10/371657010.db2.gz BPUYESSKDPNKAG-LDYMZIIASA-N 1 0 207.248 1.864 10 0 BDAERO Cc1nsc(O[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000131730882 371662532 /nfs/dbraw/zinc/66/25/32/371662532.db2.gz FBYROQZGXXBHTJ-JGVFFNPUSA-N 1 0 213.306 1.495 10 0 BDAERO C[C@@H]1CN([C@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000226670182 371719682 /nfs/dbraw/zinc/71/96/82/371719682.db2.gz PAAGCDLZAIHLQW-BBBLOLIVSA-N 1 0 200.351 1.174 10 0 BDAERO O=C(C[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000226583023 371701556 /nfs/dbraw/zinc/70/15/56/371701556.db2.gz XEDXVISKEPRKMN-NSHDSACASA-N 1 0 211.305 1.514 10 0 BDAERO Cc1cc([C@@H](O)CC[NH3+])c(F)cc1F ZINC000132047252 371748281 /nfs/dbraw/zinc/74/82/81/371748281.db2.gz NYJWLXPNIKTKPF-JTQLQIEISA-N 1 0 201.216 1.655 10 0 BDAERO Cc1cc2c(cc1C)[S@](=O)[C@H](C)[C@H]2[NH3+] ZINC000227009532 371766628 /nfs/dbraw/zinc/76/66/28/371766628.db2.gz CHISEBQKBWTMFD-XPLICSAQSA-N 1 0 209.314 1.813 10 0 BDAERO [NH3+][C@@H]1CCN(C[C@@H]2CCCCS2)C1 ZINC000227014202 371768177 /nfs/dbraw/zinc/76/81/77/371768177.db2.gz XYXNCXROXRTUKF-ZJUUUORDSA-N 1 0 200.351 1.305 10 0 BDAERO Cc1csc(CC(=O)C2([NH3+])CCC2)n1 ZINC000226780627 371742819 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/nfs/dbraw/zinc/05/47/66/372054766.db2.gz SWJKRIODQGJDMK-SCZZXKLOSA-N 1 0 211.334 1.988 10 0 BDAERO CSC(C)(C)C[N@@H+]1CCCN[C@H](C)C1 ZINC000229143440 372122632 /nfs/dbraw/zinc/12/26/32/372122632.db2.gz QSRWKTROOPCONZ-SNVBAGLBSA-N 1 0 216.394 1.812 10 0 BDAERO CC[C@H](C[NH3+])C1(O)C[C@@H](C)O[C@H](C)C1 ZINC000133814357 372118110 /nfs/dbraw/zinc/11/81/10/372118110.db2.gz ZTCYIXSDMVIVKN-OPRDCNLKSA-N 1 0 201.310 1.290 10 0 BDAERO C[C@@H]1CSCC[N@H+](CC2(N)CC2)C1 ZINC000307456346 372122428 /nfs/dbraw/zinc/12/24/28/372122428.db2.gz FUAINXXHVRPFSF-VIFPVBQESA-N 1 0 200.351 1.163 10 0 BDAERO [NH3+][C@H]1CC[C@H](CCNC(=O)C(F)(F)F)C1 ZINC000306735162 372062444 /nfs/dbraw/zinc/06/24/44/372062444.db2.gz VUCAZMBTFVMSPJ-RQJHMYQMSA-N 1 0 224.226 1.182 10 0 BDAERO CC[C@H]1CC[N@@H+]([C@@]2(CN)CCSC2)C1 ZINC000228679553 372066840 /nfs/dbraw/zinc/06/68/40/372066840.db2.gz OAHFLOUFYOMSIH-WDEREUQCSA-N 1 0 214.378 1.553 10 0 BDAERO C[C@H]1SC(N[C@]2(C)CCOC2)=[NH+][C@H]1C ZINC000307014125 372084653 /nfs/dbraw/zinc/08/46/53/372084653.db2.gz MMDQDSWXAPIJNT-QXFUBDJGSA-N 1 0 214.334 1.635 10 0 BDAERO CC(C)(C)[C@@H](C[NH3+])N1CCCC2(C1)OCCO2 ZINC000133695074 372087742 /nfs/dbraw/zinc/08/77/42/372087742.db2.gz GJMWXVUZRLEHKO-LLVKDONJSA-N 1 0 242.363 1.199 10 0 BDAERO OC[C@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000164516615 372157845 /nfs/dbraw/zinc/15/78/45/372157845.db2.gz BHXUQFUAJAYUGO-ZDUSSCGKSA-N 1 0 205.301 1.686 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@]1(O)Cc1cccs1 ZINC000229553776 372163939 /nfs/dbraw/zinc/16/39/39/372163939.db2.gz LTZBDFRABZAPDS-MWLCHTKSSA-N 1 0 211.330 1.651 10 0 BDAERO COc1cc(C[NH3+])ccc1NC(=O)C(F)(F)F ZINC000229555146 372164427 /nfs/dbraw/zinc/16/44/27/372164427.db2.gz CFZLSZVMFQBNNV-UHFFFAOYSA-N 1 0 248.204 1.655 10 0 BDAERO C[NH2+][C@H](C)c1cnn(C)c1Br ZINC000307571641 372128390 /nfs/dbraw/zinc/12/83/90/372128390.db2.gz YAUSPVRDKLQYCD-RXMQYKEDSA-N 1 0 218.098 1.463 10 0 BDAERO CCC[C@@H](C(=O)OCC)N1CC[C@@H]([NH+](C)C)C1 ZINC000219113942 372192289 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/nfs/dbraw/zinc/63/77/43/372637743.db2.gz KUQYEEFSOZOZHN-RQJHMYQMSA-N 1 0 246.767 1.218 10 0 BDAERO C[C@H]1CN(Cc2cc(F)ccc2F)C[C@@H]1C[NH3+] ZINC000631840871 372638008 /nfs/dbraw/zinc/63/80/08/372638008.db2.gz GRYUNPOXJWCQSO-ONGXEEELSA-N 1 0 240.297 1.991 10 0 BDAERO CC(C)c1noc(CN2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631842105 372641840 /nfs/dbraw/zinc/64/18/40/372641840.db2.gz VMXYRHQEODCUOG-UWVGGRQHSA-N 1 0 238.335 1.220 10 0 BDAERO O=C(C[NH2+]C1CCCC1)NC[C@H]1CCCOC1 ZINC000038046123 181976369 /nfs/dbraw/zinc/97/63/69/181976369.db2.gz UEBVHCMVJMYPRB-LLVKDONJSA-N 1 0 240.347 1.061 10 0 BDAERO O=C(COC[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095072857 181998754 /nfs/dbraw/zinc/99/87/54/181998754.db2.gz WCHIWYRGJVJORM-JTQLQIEISA-N 1 0 222.288 1.356 10 0 BDAERO O=C(C[C@@H]1CCCC[NH2+]1)NCC1CCCC1 ZINC000037258979 182017063 /nfs/dbraw/zinc/01/70/63/182017063.db2.gz OXNSQYSNEXIFHN-LBPRGKRZSA-N 1 0 224.348 1.825 10 0 BDAERO O=C(C[C@@H]1CC[NH2+]C1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000129423200 182020235 /nfs/dbraw/zinc/02/02/35/182020235.db2.gz VPSQNKNJSSGMAT-YNEHKIRRSA-N 1 0 236.359 1.635 10 0 BDAERO O=C(C[C@H]1CCCC[NH2+]1)NC1CCCCC1 ZINC000020597440 182027406 /nfs/dbraw/zinc/02/74/06/182027406.db2.gz DNYQPUXYWUDPJE-GFCCVEGCSA-N 1 0 224.348 1.968 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cn1 ZINC000042165875 182028460 /nfs/dbraw/zinc/02/84/60/182028460.db2.gz HUSCLEYJOKLHOD-SECBINFHSA-N 1 0 239.706 1.816 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1nccs1 ZINC000054308885 182028565 /nfs/dbraw/zinc/02/85/65/182028565.db2.gz REOFFOSEJVKRFX-SECBINFHSA-N 1 0 239.344 1.149 10 0 BDAERO CC[NH2+]Cc1cc2cc(OC)ccc2n(C)c1=O ZINC000039288558 372931822 /nfs/dbraw/zinc/93/18/22/372931822.db2.gz JQDKQAJLASTZGC-UHFFFAOYSA-N 1 0 246.310 1.657 10 0 BDAERO O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CC[NH2+]CC1 ZINC000019395037 182030492 /nfs/dbraw/zinc/03/04/92/182030492.db2.gz JWNONZIHVWJYBV-QJPTWQEYSA-N 1 0 222.332 1.245 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccsc1 ZINC000068915385 373089011 /nfs/dbraw/zinc/08/90/11/373089011.db2.gz GMKCEYFNKSZKMJ-NXEZZACHSA-N 1 0 210.346 1.930 10 0 BDAERO C[C@@H]([NH3+])[C@@](O)(c1ccoc1)C(F)(F)F ZINC000068978565 373098716 /nfs/dbraw/zinc/09/87/16/373098716.db2.gz RWFPADACXVENCQ-IYSWYEEDSA-N 1 0 209.167 1.377 10 0 BDAERO C[C@H]([NH3+])[C@@](O)(c1ccco1)C(F)(F)F ZINC000068978583 373099307 /nfs/dbraw/zinc/09/93/07/373099307.db2.gz AMCIGFFIMDTFGL-CAHLUQPWSA-N 1 0 209.167 1.377 10 0 BDAERO CC1CC(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)C1 ZINC000632863294 373196462 /nfs/dbraw/zinc/19/64/62/373196462.db2.gz ZBARPVSKJJLGPT-MVKMKZAISA-N 1 0 236.359 1.633 10 0 BDAERO CC[N@@H+]1CCC[C@H](NCc2csnn2)C1 ZINC000040502721 373360641 /nfs/dbraw/zinc/36/06/41/373360641.db2.gz YNKVSUIAOGDICJ-VIFPVBQESA-N 1 0 226.349 1.112 10 0 BDAERO C[NH2+]Cc1cc2c(cc1Cl)NC(=O)C2 ZINC000069803463 373809538 /nfs/dbraw/zinc/80/95/38/373809538.db2.gz NIVLDXQBIYRSBC-UHFFFAOYSA-N 1 0 210.664 1.554 10 0 BDAERO O=C(NCC[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000016849862 182184236 /nfs/dbraw/zinc/18/42/36/182184236.db2.gz KSKGQHWFZRZSPA-UHFFFAOYSA-N 1 0 248.326 1.608 10 0 BDAERO Nc1cc[nH+]cc1[C@@H](O)CC(F)(F)F ZINC000069844760 373876691 /nfs/dbraw/zinc/87/66/91/373876691.db2.gz PTUZTNRZZVEYDP-ZETCQYMHSA-N 1 0 206.167 1.650 10 0 BDAERO Nc1ccncc1[C@H]([NH3+])c1ccsc1 ZINC000069844999 373876735 /nfs/dbraw/zinc/87/67/35/373876735.db2.gz IYVSRBCTKNSCIJ-SNVBAGLBSA-N 1 0 205.286 1.773 10 0 BDAERO O=C(NC[C@@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000045630999 182222917 /nfs/dbraw/zinc/22/29/17/182222917.db2.gz YDAITAZCMPDPTR-NEPJUHHUSA-N 1 0 222.332 1.459 10 0 BDAERO Nc1cc(N)nc(SC(F)(F)F)n1 ZINC000041023943 374044151 /nfs/dbraw/zinc/04/41/51/374044151.db2.gz CEHQYQIJPHCSCY-UHFFFAOYSA-N 1 0 210.184 1.253 10 0 BDAERO Cc1ccsc1[C@H]1NC(=O)CC[C@@H]1[NH3+] ZINC000070647503 374169227 /nfs/dbraw/zinc/16/92/27/374169227.db2.gz DPNJSBQAQLHLON-CBAPKCEASA-N 1 0 210.302 1.335 10 0 BDAERO CC(C)=CC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199196 206013700 /nfs/dbraw/zinc/01/37/00/206013700.db2.gz QMPCSSWBIKTMCT-CYBMUJFWSA-N 1 0 236.359 1.943 10 0 BDAERO O=C(Nc1cccs1)N1CC[NH2+]CC1 ZINC000071518267 182385535 /nfs/dbraw/zinc/38/55/35/182385535.db2.gz CFWFNNTWAZIFBO-UHFFFAOYSA-N 1 0 211.290 1.185 10 0 BDAERO CCOC(=O)C[C@@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000050596507 170230883 /nfs/dbraw/zinc/23/08/83/170230883.db2.gz XQJYGPYHRNONOH-LLVKDONJSA-N 1 0 237.299 1.957 10 0 BDAERO CCCCOCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336748908 168902492 /nfs/dbraw/zinc/90/24/92/168902492.db2.gz YIXTWYACJCXCGM-WDEREUQCSA-N 1 0 228.336 1.060 10 0 BDAERO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC1(O)CCC1 ZINC000336772353 170269753 /nfs/dbraw/zinc/26/97/53/170269753.db2.gz VGHOYHVOGJGRMS-NXEZZACHSA-N 1 0 229.320 1.079 10 0 BDAERO O=[S@@](Cc1cncs1)C[C@@H]1CCC[NH2+]C1 ZINC000095073641 182963463 /nfs/dbraw/zinc/96/34/63/182963463.db2.gz RTBHKRMSHBDZGZ-PSLIRLAXSA-N 1 0 244.385 1.391 10 0 BDAERO O=[S@@](c1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000095073391 182965061 /nfs/dbraw/zinc/96/50/61/182965061.db2.gz WFUIYFJQEJYKGO-UHLUBPPHSA-N 1 0 216.331 1.003 10 0 BDAERO CCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000103505881 168949660 /nfs/dbraw/zinc/94/96/60/168949660.db2.gz NVCADMSCSYCROK-GHMZBOCLSA-N 1 0 240.347 1.691 10 0 BDAERO O=c1ccccn1CC[C@H]1CCCC[NH2+]1 ZINC000041630926 183002097 /nfs/dbraw/zinc/00/20/97/183002097.db2.gz IHXCJPDJKXEWMF-LLVKDONJSA-N 1 0 206.289 1.381 10 0 BDAERO O=c1sc2c(n1Cc1ccccc1)CC[NH2+]C2 ZINC000077254073 183013412 /nfs/dbraw/zinc/01/34/12/183013412.db2.gz VGTKZCRUTXFXGN-UHFFFAOYSA-N 1 0 246.335 1.604 10 0 BDAERO OC1(C2CC2)C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC000301021249 183016226 /nfs/dbraw/zinc/01/62/26/183016226.db2.gz ZXYLFDUYMPRHOF-VIFPVBQESA-N 1 0 231.286 1.879 10 0 BDAERO OCC1([NH2+][C@@H]2CCCC[C@@H]2O)CCCC1 ZINC000053069184 183038952 /nfs/dbraw/zinc/03/89/52/183038952.db2.gz NSNLNZUGQGSQMU-MNOVXSKESA-N 1 0 213.321 1.185 10 0 BDAERO OCCC[NH+]1CCC(c2nccs2)CC1 ZINC000373994275 183054542 /nfs/dbraw/zinc/05/45/42/183054542.db2.gz VSOAAQJWOLNSEC-UHFFFAOYSA-N 1 0 226.345 1.705 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCCCF ZINC000308553083 183063205 /nfs/dbraw/zinc/06/32/05/183063205.db2.gz SYSHPHHULKTFAY-NSHDSACASA-N 1 0 203.301 1.973 10 0 BDAERO OCC[N@H+](C[C@@H]1Cc2ccccc21)C1CC1 ZINC000085576470 183067913 /nfs/dbraw/zinc/06/79/13/183067913.db2.gz AHWLLRYCZZOQJK-LBPRGKRZSA-N 1 0 217.312 1.783 10 0 BDAERO OCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000177842790 183074415 /nfs/dbraw/zinc/07/44/15/183074415.db2.gz NKQHXNYKIYVMBD-KBPBESRZSA-N 1 0 235.327 1.567 10 0 BDAERO OCC[NH2+]CCCc1c[nH]c2ccccc12 ZINC000076287846 183078155 /nfs/dbraw/zinc/07/81/55/183078155.db2.gz CSFJKCAJEAKKMD-UHFFFAOYSA-N 1 0 218.300 1.682 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000309642952 183095247 /nfs/dbraw/zinc/09/52/47/183095247.db2.gz PDZQQPAPNBZLPT-ZDUSSCGKSA-N 1 0 227.348 1.507 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1ncc(F)cn1 ZINC000128519695 169003226 /nfs/dbraw/zinc/00/32/26/169003226.db2.gz XKTLMEYODWZYBR-SECBINFHSA-N 1 0 212.272 1.545 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367615164 183115274 /nfs/dbraw/zinc/11/52/74/183115274.db2.gz KFWLACBBNQDACY-DRZSPHRISA-N 1 0 249.358 1.928 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000300399623 183118148 /nfs/dbraw/zinc/11/81/48/183118148.db2.gz ZTBYJOCBJHJSHB-GRYCIOLGSA-N 1 0 229.389 1.880 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cscn1 ZINC000164267141 183118425 /nfs/dbraw/zinc/11/84/25/183118425.db2.gz OSNQVQIISQTKNX-GXSJLCMTSA-N 1 0 226.345 1.784 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307977600 183098902 /nfs/dbraw/zinc/09/89/02/183098902.db2.gz JYSQGADIVDDPKU-RKDXNWHRSA-N 1 0 241.253 1.004 10 0 BDAERO OCCn1c2ccccc2nc1[C@@H]1CCC[NH2+]C1 ZINC000037900710 183103386 /nfs/dbraw/zinc/10/33/86/183103386.db2.gz ZUGXKGCPNOPAIP-LLVKDONJSA-N 1 0 245.326 1.496 10 0 BDAERO OCCn1c2ccccc2nc1[C@@H]1CC[NH2+]C1 ZINC000062119437 183103439 /nfs/dbraw/zinc/10/34/39/183103439.db2.gz KWDVRPRMQHZSEK-SNVBAGLBSA-N 1 0 231.299 1.106 10 0 BDAERO CCCCc1nc(Cl)c(C[NH2+]C[C@@H](C)O)[nH]1 ZINC000083374657 169025944 /nfs/dbraw/zinc/02/59/44/169025944.db2.gz TYFLEBVZJICPOW-MRVPVSSYSA-N 1 0 245.754 1.876 10 0 BDAERO OC[C@@H]1C[NH2+]CCN1Cc1ccccc1Cl ZINC000062620200 183127451 /nfs/dbraw/zinc/12/74/51/183127451.db2.gz KGVPZZKZDCBBIM-NSHDSACASA-N 1 0 240.734 1.106 10 0 BDAERO OC[C@@H]1C[N@@H+]([C@H]2/C=C/CCCCC2)CCO1 ZINC000300910169 183128327 /nfs/dbraw/zinc/12/83/27/183128327.db2.gz DAESNDRTIFZDII-VFQZCJPISA-N 1 0 225.332 1.568 10 0 BDAERO CCCN(C(=O)[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000037541587 169045081 /nfs/dbraw/zinc/04/50/81/169045081.db2.gz RQYZYDJMDDUTLJ-RYUDHWBXSA-N 1 0 240.347 1.156 10 0 BDAERO OC[C@]1([NH2+]Cc2cccs2)CCSC1 ZINC000038123558 183158625 /nfs/dbraw/zinc/15/86/25/183158625.db2.gz BPLYGTYSUSFZNA-SNVBAGLBSA-N 1 0 229.370 1.706 10 0 BDAERO OC[C@]1(O)CCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000313645152 183158662 /nfs/dbraw/zinc/15/86/62/183158662.db2.gz VFBMNIZMTRAZRD-MNOVXSKESA-N 1 0 249.301 1.241 10 0 BDAERO O[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000307610725 183204447 /nfs/dbraw/zinc/20/44/47/183204447.db2.gz FXTPAIRXUQMXQG-LPEHRKFASA-N 1 0 201.335 1.243 10 0 BDAERO O[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC000036075378 183185369 /nfs/dbraw/zinc/18/53/69/183185369.db2.gz JSMWTFXOWGPUKR-GFCCVEGCSA-N 1 0 209.264 1.859 10 0 BDAERO O[C@@H](c1ccc2c(c1)CCCO2)[C@H]1CCC[NH2+]1 ZINC000062616209 183186169 /nfs/dbraw/zinc/18/61/69/183186169.db2.gz SGENDCZPCFUBEF-OCCSQVGLSA-N 1 0 233.311 1.797 10 0 BDAERO O[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]12 ZINC000049567287 183187646 /nfs/dbraw/zinc/18/76/46/183187646.db2.gz WZOLUHDVUKOTGE-XJFOESAGSA-N 1 0 238.375 1.506 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000300369491 183189756 /nfs/dbraw/zinc/18/97/56/183189756.db2.gz RJKZPKHOMGGKJP-RVMXOQNASA-N 1 0 225.332 1.447 10 0 BDAERO O[C@@]1(c2cccc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000071535085 183218046 /nfs/dbraw/zinc/21/80/46/183218046.db2.gz FEZHIKGQODPJMI-JTQLQIEISA-N 1 0 231.217 1.886 10 0 BDAERO CCC[N@H+](C)CC[C@H](NC(C)C)C(=O)OCC ZINC000062445295 169079514 /nfs/dbraw/zinc/07/95/14/169079514.db2.gz ZKSSJGRLSQCUJZ-LBPRGKRZSA-N 1 0 244.379 1.648 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000037718334 183231332 /nfs/dbraw/zinc/23/13/32/183231332.db2.gz GVPWFIIGVSWFIH-STQMWFEESA-N 1 0 220.316 1.517 10 0 BDAERO O[C@H](C[NH2+]C1COC1)c1ccc2ccccc2c1 ZINC000094710298 183223164 /nfs/dbraw/zinc/22/31/64/183223164.db2.gz KRTQEQOUYSQLNH-OAHLLOKOSA-N 1 0 243.306 1.862 10 0 BDAERO O[C@H](C[NH2+]CCc1ccccc1)c1ccncc1 ZINC000032100419 183224619 /nfs/dbraw/zinc/22/46/19/183224619.db2.gz LXJPFTRDAFJRKL-OAHLLOKOSA-N 1 0 242.322 1.947 10 0 BDAERO O[C@H](Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000041242379 183227277 /nfs/dbraw/zinc/22/72/77/183227277.db2.gz MTLXBKXGRHZFBE-DGCLKSJQSA-N 1 0 223.291 1.729 10 0 BDAERO O[C@H](c1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]1 ZINC000036172011 183229729 /nfs/dbraw/zinc/22/97/29/183229729.db2.gz JBBBADHXDBJFKK-SMDDNHRTSA-N 1 0 249.310 1.633 10 0 BDAERO CCCN(C)c1nc2ccccn2c1C[NH2+]C ZINC000035449272 169089945 /nfs/dbraw/zinc/08/99/45/169089945.db2.gz VNWUKZRXCQCGKI-UHFFFAOYSA-N 1 0 232.331 1.900 10 0 BDAERO O[C@@H]1CC=C(CC[NH+]2CCCCC2)C[C@@H]1O ZINC000039096012 183230847 /nfs/dbraw/zinc/23/08/47/183230847.db2.gz RKFOWXUGAHAOMP-OLZOCXBDSA-N 1 0 225.332 1.304 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577731 183238200 /nfs/dbraw/zinc/23/82/00/183238200.db2.gz SKIIVUUAIXIURG-NEPJUHHUSA-N 1 0 227.254 1.968 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1Cc1ccccc1Cl ZINC000071532573 183241058 /nfs/dbraw/zinc/24/10/58/183241058.db2.gz IKZIAXAHJHHGMT-PWSUYJOCSA-N 1 0 225.719 1.853 10 0 BDAERO O[C@H]1C[NH2+]C[C@H]1Oc1ccc2ccccc2c1 ZINC000104230972 183245775 /nfs/dbraw/zinc/24/57/75/183245775.db2.gz KDSJFAXCOUQIDW-UONOGXRCSA-N 1 0 229.279 1.551 10 0 BDAERO O[C@H]1COCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000295421708 183245964 /nfs/dbraw/zinc/24/59/64/183245964.db2.gz CLCAQTAQCGITEV-QWHCGFSZSA-N 1 0 233.311 1.019 10 0 BDAERO O[C@]1(c2ccc3c(c2)OCCCO3)CC[NH2+]C1 ZINC000104109520 183251625 /nfs/dbraw/zinc/25/16/25/183251625.db2.gz QUAXRXSUIXXWQD-CYBMUJFWSA-N 1 0 235.283 1.029 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cncs1 ZINC000083013785 183232288 /nfs/dbraw/zinc/23/22/88/183232288.db2.gz XGGBHGBEMRQTDC-ONGXEEELSA-N 1 0 226.345 1.784 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000334329465 183233132 /nfs/dbraw/zinc/23/31/32/183233132.db2.gz NTZORDHZSPHTTB-OLZOCXBDSA-N 1 0 249.358 1.893 10 0 BDAERO O[C@H]1CCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009876 183236650 /nfs/dbraw/zinc/23/66/50/183236650.db2.gz RHJQDJXBSTYYLS-AGIUHOORSA-N 1 0 233.311 1.493 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000054771198 183237065 /nfs/dbraw/zinc/23/70/65/183237065.db2.gz RHIBDUFVKIOUKY-IUCAKERBSA-N 1 0 212.318 1.536 10 0 BDAERO CCCN(CC(F)(F)F)C(=O)[C@@H](C)[NH2+]C ZINC000054075151 169107696 /nfs/dbraw/zinc/10/76/96/169107696.db2.gz GWVAJGQONRUJDW-SSDOTTSWSA-N 1 0 226.242 1.395 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H]1CCOC1 ZINC000037738233 183281572 /nfs/dbraw/zinc/28/15/72/183281572.db2.gz HHRODUJGXNGAGH-SKDRFNHKSA-N 1 0 235.283 1.452 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@@H](O)C1CC1 ZINC000071299817 183281657 /nfs/dbraw/zinc/28/16/57/183281657.db2.gz MVLMYTBBFGUZKJ-NWDGAFQWSA-N 1 0 235.283 1.186 10 0 BDAERO Oc1cc2c(cc1F)C1(CO2)CC[NH2+]CC1 ZINC000113564262 183262071 /nfs/dbraw/zinc/26/20/71/183262071.db2.gz NLQAQUXLKANMMD-UHFFFAOYSA-N 1 0 223.247 1.545 10 0 BDAERO CCC[NH+](CCC)CC[C@@H](NC(C)C)C(N)=O ZINC000062442134 169147653 /nfs/dbraw/zinc/14/76/53/169147653.db2.gz HAGFYEQTWSOBEL-GFCCVEGCSA-N 1 0 243.395 1.350 10 0 BDAERO Oc1cccc(-c2noc([C@H]3CCC[NH2+]3)n2)c1 ZINC000096875139 183287864 /nfs/dbraw/zinc/28/78/64/183287864.db2.gz AAPCVBDEMRYKJR-SNVBAGLBSA-N 1 0 231.255 1.867 10 0 BDAERO CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)C(=O)[O-])CC1 ZINC000049356003 169191620 /nfs/dbraw/zinc/19/16/20/169191620.db2.gz KSIKSXSSYZQQNL-GHMZBOCLSA-N 1 0 242.363 1.560 10 0 BDAERO c1cc(-c2n[nH]c3c2CC[NH2+]C3)ccn1 ZINC000074213689 183328568 /nfs/dbraw/zinc/32/85/68/183328568.db2.gz SSDFGODKOBNXPA-UHFFFAOYSA-N 1 0 200.245 1.117 10 0 BDAERO CCC[NH+]1CCN(CCCC(N)=S)CC1 ZINC000019503774 169202509 /nfs/dbraw/zinc/20/25/09/169202509.db2.gz HBZMLETVTOKAPU-UHFFFAOYSA-N 1 0 229.393 1.080 10 0 BDAERO CCCN1CC[NH+]([C@@H](C)CCC[NH3+])CC1 ZINC000052421939 169203830 /nfs/dbraw/zinc/20/38/30/169203830.db2.gz NBBBTYKFJCMATG-LBPRGKRZSA-N 1 0 213.369 1.141 10 0 BDAERO CCC[N@H+](Cc1cccc(N)c1)[C@@H](C)C(N)=O ZINC000035365048 169178129 /nfs/dbraw/zinc/17/81/29/169178129.db2.gz AVBUYIYYTYXAET-JTQLQIEISA-N 1 0 235.331 1.355 10 0 BDAERO CCCN(Cc1cccnc1)C(=O)CC[NH3+] ZINC000032013990 169178596 /nfs/dbraw/zinc/17/85/96/169178596.db2.gz GTPXWIRMRLULLS-UHFFFAOYSA-N 1 0 221.304 1.169 10 0 BDAERO S=C1C[NH2+]C[C@@H]2c3ccccc3CCCN12 ZINC000034317351 183312853 /nfs/dbraw/zinc/31/28/53/183312853.db2.gz IFWWHGLMEJHVLG-GFCCVEGCSA-N 1 0 232.352 1.907 10 0 BDAERO c1cc(CCN2CC[N@@H+]3CCCC[C@@H]3C2)ccn1 ZINC000090824831 183337247 /nfs/dbraw/zinc/33/72/47/183337247.db2.gz LHRGGMDDKAFAPB-OAHLLOKOSA-N 1 0 245.370 1.794 10 0 BDAERO c1cc(CN2CCO[C@@H]3C[NH2+]CC[C@H]32)cs1 ZINC000096082153 183344187 /nfs/dbraw/zinc/34/41/87/183344187.db2.gz LWRRFENQBBKWKH-VXGBXAGGSA-N 1 0 238.356 1.311 10 0 BDAERO c1cc(C[NH2+]C2CC2)nc(C[C@@H]2CCCO2)n1 ZINC000054791954 183348375 /nfs/dbraw/zinc/34/83/75/183348375.db2.gz UYGNJPAGFMLHRW-LBPRGKRZSA-N 1 0 233.315 1.450 10 0 BDAERO c1ncc(C[NH2+]Cc2ccncc2)s1 ZINC000054770262 183351296 /nfs/dbraw/zinc/35/12/96/183351296.db2.gz XPYPXDXVZYKHIU-UHFFFAOYSA-N 1 0 205.286 1.828 10 0 BDAERO c1[nH]nc2cccc(NC3CC[NH2+]CC3)c12 ZINC000038041553 183357842 /nfs/dbraw/zinc/35/78/42/183357842.db2.gz SEZPCMPMLZRTNY-UHFFFAOYSA-N 1 0 216.288 1.727 10 0 BDAERO c1cc(CNC2=[NH+]CCS2)cc2c1OCO2 ZINC000061675015 183367590 /nfs/dbraw/zinc/36/75/90/183367590.db2.gz PFPSXSKWFIMSPF-UHFFFAOYSA-N 1 0 236.296 1.608 10 0 BDAERO c1cc2c(cc1N1CCCC1)C[NH2+]CC2 ZINC000082655905 183369554 /nfs/dbraw/zinc/36/95/54/183369554.db2.gz WKLZNEXHHBPQLT-UHFFFAOYSA-N 1 0 202.301 1.933 10 0 BDAERO c1cc2c(cc1NC1=[NH+]CCN1)CCCC2 ZINC000040979964 183369732 /nfs/dbraw/zinc/36/97/32/183369732.db2.gz PXPKAXRRJYZLDN-UHFFFAOYSA-N 1 0 215.300 1.937 10 0 BDAERO c1cc2c(cc1[C@@H]1C[NH2+]CCCO1)OCCO2 ZINC000035598677 183370512 /nfs/dbraw/zinc/37/05/12/183370512.db2.gz BSRUPUMAESGGKR-ZDUSSCGKSA-N 1 0 235.283 1.509 10 0 BDAERO c1cc(OCC[NH2+]CC2CC2)cc2c1OCO2 ZINC000041265573 183370646 /nfs/dbraw/zinc/37/06/46/183370646.db2.gz HXNMYLKBRBVHFT-UHFFFAOYSA-N 1 0 235.283 1.794 10 0 BDAERO CCCNC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051359106 169234459 /nfs/dbraw/zinc/23/44/59/169234459.db2.gz IVFOCHDDGFIXPB-GHMZBOCLSA-N 1 0 225.336 1.322 10 0 BDAERO CCCNC(=O)N[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000037748032 169238574 /nfs/dbraw/zinc/23/85/74/169238574.db2.gz CJOFUXVABNEIPG-JTQLQIEISA-N 1 0 235.331 1.916 10 0 BDAERO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CCCO ZINC000052763000 169246696 /nfs/dbraw/zinc/24/66/96/169246696.db2.gz UZYFNYMKXUDTIU-NWDGAFQWSA-N 1 0 242.363 1.138 10 0 BDAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1CC(C)(C)O ZINC000104407826 169285849 /nfs/dbraw/zinc/28/58/49/169285849.db2.gz PNEKZLJGUHRLJJ-OLZOCXBDSA-N 1 0 242.407 2.000 10 0 BDAERO CCC[NH2+]C[C@H](O)c1cc(F)ccc1OC ZINC000049820791 169264762 /nfs/dbraw/zinc/26/47/62/169264762.db2.gz CCUHJIVMKIGFRG-NSHDSACASA-N 1 0 227.279 1.867 10 0 BDAERO CCC[NH2+]Cc1ccccc1O[C@H](C)C(N)=O ZINC000034658749 169267460 /nfs/dbraw/zinc/26/74/60/169267460.db2.gz XUIMNZNLGWUDPW-SNVBAGLBSA-N 1 0 236.315 1.439 10 0 BDAERO CCC[NH2+]Cc1cccc(OCCCOC)n1 ZINC000051522305 169267668 /nfs/dbraw/zinc/26/76/68/169267668.db2.gz LOZCLRMFHQZRGJ-UHFFFAOYSA-N 1 0 238.331 1.997 10 0 BDAERO CCC[NH2+]Cc1nnc(-c2ccc(C)nc2)o1 ZINC000050615714 169268737 /nfs/dbraw/zinc/26/87/37/169268737.db2.gz NATMKQYNMZHZNJ-UHFFFAOYSA-N 1 0 232.287 1.940 10 0 BDAERO CCC[NH2+]Cc1nnnn1Cc1ccc(F)cc1 ZINC000054745896 169269331 /nfs/dbraw/zinc/26/93/31/169269331.db2.gz CCJYLNDPRVNYDC-UHFFFAOYSA-N 1 0 249.293 1.360 10 0 BDAERO c1ccc(CN2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000098181505 183397941 /nfs/dbraw/zinc/39/79/41/183397941.db2.gz ONQYKAILSLKZLP-KGLIPLIRSA-N 1 0 216.328 1.870 10 0 BDAERO CCCNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000020187740 169272334 /nfs/dbraw/zinc/27/23/34/169272334.db2.gz BDHYSXSJUJOAQD-VIFPVBQESA-N 1 0 242.344 1.395 10 0 BDAERO CCC[NH2+][C@@H](C)CCCn1nc(C)ccc1=O ZINC000061810373 169274275 /nfs/dbraw/zinc/27/42/75/169274275.db2.gz CAOAXXHJWDCOGY-NSHDSACASA-N 1 0 237.347 1.720 10 0 BDAERO CCC[NH2+][C@@H](C)CN(C)C[C@@H]1CCCO1 ZINC000043966286 169274905 /nfs/dbraw/zinc/27/49/05/169274905.db2.gz PYCBZEFIHSFWHS-RYUDHWBXSA-N 1 0 214.353 1.485 10 0 BDAERO CCCN[C@@H](CC[N@H+](C)CC1CC1)C(=O)OC ZINC000062452882 169278118 /nfs/dbraw/zinc/27/81/18/169278118.db2.gz HQPQDXKHOJEIPJ-LBPRGKRZSA-N 1 0 242.363 1.260 10 0 BDAERO c1ccc(COCC2CC[NH2+]CC2)nc1 ZINC000051815081 183407010 /nfs/dbraw/zinc/40/70/10/183407010.db2.gz VOEZQSWVJUZYHO-UHFFFAOYSA-N 1 0 206.289 1.598 10 0 BDAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccncc2)C1=O ZINC000049648743 169283386 /nfs/dbraw/zinc/28/33/86/169283386.db2.gz DMPLYORTSOYXKG-WCQYABFASA-N 1 0 247.342 1.743 10 0 BDAERO CCCOCCC(=O)NC[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000054434683 169308709 /nfs/dbraw/zinc/30/87/09/169308709.db2.gz BXRVKGRTBDSGNF-NEPJUHHUSA-N 1 0 242.363 1.450 10 0 BDAERO CCCO[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC000051783320 169312140 /nfs/dbraw/zinc/31/21/40/169312140.db2.gz NRWCVDDKQACDGF-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO CCC[NH2+][C@H]1CCOC[C@H]1n1cnc(C)c1C ZINC000051926623 169291357 /nfs/dbraw/zinc/29/13/57/169291357.db2.gz FBNGDGURXUQTOG-QWHCGFSZSA-N 1 0 237.347 1.830 10 0 BDAERO CCC[NH2+][C@]1(CO)CCc2ccccc2C1 ZINC000038123508 169293764 /nfs/dbraw/zinc/29/37/64/169293764.db2.gz WRQKMXVGOPIUOV-CQSZACIVSA-N 1 0 219.328 1.906 10 0 BDAERO CCCNc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040707880 169296893 /nfs/dbraw/zinc/29/68/93/169296893.db2.gz RPQLYQHXDDUCFO-UHFFFAOYSA-N 1 0 238.339 1.596 10 0 BDAERO CCCOc1ccc([C@H](O)C[NH2+]C)cc1 ZINC000032012249 169322590 /nfs/dbraw/zinc/32/25/90/169322590.db2.gz YYUCWQZKYIXBIK-GFCCVEGCSA-N 1 0 209.289 1.728 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N(CCOC)[C@@H](C)C1CC1 ZINC000037814770 169388062 /nfs/dbraw/zinc/38/80/62/169388062.db2.gz INRIMGMCUBIIHI-CMPLNLGQSA-N 1 0 242.363 1.387 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](CCC)CCO ZINC000226680484 169381915 /nfs/dbraw/zinc/38/19/15/169381915.db2.gz HANQEKLDSHZLFE-QWRGUYRKSA-N 1 0 230.352 1.029 10 0 BDAERO CC(C)(C)[NH2+]C[C@@H]1CC[C@H](Cn2cccn2)O1 ZINC000052574922 166634247 /nfs/dbraw/zinc/63/42/47/166634247.db2.gz BURHDXQXPIDGIZ-NWDGAFQWSA-N 1 0 237.347 1.819 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1cccc(O)c1 ZINC000083351978 169391178 /nfs/dbraw/zinc/39/11/78/169391178.db2.gz YIRVLGLREDGHGV-LLVKDONJSA-N 1 0 222.288 1.136 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC000049547783 169393276 /nfs/dbraw/zinc/39/32/76/169393276.db2.gz HGACDBDBSAEICU-SSDOTTSWSA-N 1 0 239.344 1.698 10 0 BDAERO CCOCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000223874911 134343150 /nfs/dbraw/zinc/34/31/50/134343150.db2.gz JXCLXAPWLHQXBM-STQMWFEESA-N 1 0 226.364 1.582 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])[C@H]1C1CC1 ZINC000082327507 166653858 /nfs/dbraw/zinc/65/38/58/166653858.db2.gz GFYPNUSQFXQMDI-GHMZBOCLSA-N 1 0 240.347 1.981 10 0 BDAERO CCN(CC)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000174002719 535456950 /nfs/dbraw/zinc/45/69/50/535456950.db2.gz QBWLFXKTJBQOCX-NWDGAFQWSA-N 1 0 241.379 1.767 10 0 BDAERO Cc1cnn(CC[NH2+]C[C@@H]2CCCOC2)c1 ZINC000225362407 134354917 /nfs/dbraw/zinc/35/49/17/134354917.db2.gz TZPZUOQJGZTUHI-LBPRGKRZSA-N 1 0 223.320 1.208 10 0 BDAERO CCCn1cc(C[NH2+][C@H](C)[C@H]2CCCO2)cn1 ZINC000116913409 169619652 /nfs/dbraw/zinc/61/96/52/169619652.db2.gz NTCGIXAJQLPAFW-DGCLKSJQSA-N 1 0 237.347 1.950 10 0 BDAERO CCOC[C@H]1CN(C(N)=[NH2+])CC12CCC2 ZINC000409435268 383835665 /nfs/dbraw/zinc/83/56/65/383835665.db2.gz UATTYPYBSRTYRF-SECBINFHSA-N 1 0 211.309 1.018 10 0 BDAERO COC[C@H]1C[N@H+](CCO)CC12CCCC2 ZINC000409434863 383839309 /nfs/dbraw/zinc/83/93/09/383839309.db2.gz QYORGMCLZNPESK-LLVKDONJSA-N 1 0 213.321 1.117 10 0 BDAERO CC1(CF)CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000409434831 383840117 /nfs/dbraw/zinc/84/01/17/383840117.db2.gz QUEZUOGANSCFRL-NSHDSACASA-N 1 0 242.338 1.584 10 0 BDAERO COC[C@]1(C(=O)N2CC[C@@H](C)[C@H]2C)CCC[NH2+]1 ZINC000643730773 383850752 /nfs/dbraw/zinc/85/07/52/383850752.db2.gz BCPMOIIYTQSWMK-WZRBSPASSA-N 1 0 240.347 1.012 10 0 BDAERO c1ccc2c(c1)OC[C@H]2[NH2+][C@H]1CCOC1 ZINC000070068765 383859951 /nfs/dbraw/zinc/85/99/51/383859951.db2.gz WVGVSMMNJQMJBB-GXSJLCMTSA-N 1 0 205.257 1.499 10 0 BDAERO COc1nc(C(N)=[NH2+])cc2ccccc21 ZINC000067173632 383915397 /nfs/dbraw/zinc/91/53/97/383915397.db2.gz OAGZNHAFGGQPHN-UHFFFAOYSA-N 1 0 201.229 1.527 10 0 BDAERO CCOCC[NH2+][C@H](C)CC(C)(C)OC ZINC000036228205 383887241 /nfs/dbraw/zinc/88/72/41/383887241.db2.gz SIUVQLWFQNQNMQ-SNVBAGLBSA-N 1 0 203.326 1.816 10 0 BDAERO CC(C)[C@H]([NH3+])CN1CCOC(C)(C)C1 ZINC000036232728 383888897 /nfs/dbraw/zinc/88/88/97/383888897.db2.gz CYGCDQRYSTWNQD-SNVBAGLBSA-N 1 0 200.326 1.081 10 0 BDAERO CC[C@@H](C[NH2+]C)NC(=O)OCc1ccccc1 ZINC000306537630 383898465 /nfs/dbraw/zinc/89/84/65/383898465.db2.gz IXPXTRDZALCZPB-LBPRGKRZSA-N 1 0 236.315 1.911 10 0 BDAERO CN(C(=O)[C@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000643614204 383994049 /nfs/dbraw/zinc/99/40/49/383994049.db2.gz NCIBWGZUKNXBIU-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO F[C@@H]1C[NH2+]CC[C@H]1c1nccc2[nH]ccc21 ZINC000089220696 383948807 /nfs/dbraw/zinc/94/88/07/383948807.db2.gz GPYLMZSBWKILCQ-PSASIEDQSA-N 1 0 219.263 1.978 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1ccncc1 ZINC000296173109 383952042 /nfs/dbraw/zinc/95/20/42/383952042.db2.gz LCDSEOVXLSONSD-WCQYABFASA-N 1 0 220.316 1.469 10 0 BDAERO CCCN(CCC)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643614712 384017448 /nfs/dbraw/zinc/01/74/48/384017448.db2.gz IQHVWHPQYJSCKE-CYBMUJFWSA-N 1 0 242.363 1.404 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000401791557 384019771 /nfs/dbraw/zinc/01/97/71/384019771.db2.gz NYGSXZVAWSAULS-UPJWGTAASA-N 1 0 228.380 1.730 10 0 BDAERO Cc1c(F)cccc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000334659498 384020716 /nfs/dbraw/zinc/02/07/16/384020716.db2.gz AKMMWKHHQQDLNR-JTQLQIEISA-N 1 0 236.290 1.697 10 0 BDAERO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nnnn1C(C)C ZINC000185649982 134387648 /nfs/dbraw/zinc/38/76/48/134387648.db2.gz WBKNZLZJFZPSOI-GHMZBOCLSA-N 1 0 237.351 1.874 10 0 BDAERO Nc1cccc2ccc(N3CC[NH2+]CC3)nc12 ZINC000090397885 384044916 /nfs/dbraw/zinc/04/49/16/384044916.db2.gz CVHFJYFIIAFOPC-UHFFFAOYSA-N 1 0 228.299 1.227 10 0 BDAERO FC(F)(F)c1c[nH]c(C2CC[NH2+]CC2)n1 ZINC000090225646 384035921 /nfs/dbraw/zinc/03/59/21/384035921.db2.gz QNWIPNUWIWGOKW-UHFFFAOYSA-N 1 0 219.210 1.896 10 0 BDAERO N[C@H](C[NH3+])c1cc(Br)cs1 ZINC000035676957 384089145 /nfs/dbraw/zinc/08/91/45/384089145.db2.gz NIRWEDKDQXTIRK-RXMQYKEDSA-N 1 0 221.123 1.469 10 0 BDAERO [NH3+][C@@H]1C[C@@H](c2ccco2)Cc2n[nH]cc21 ZINC000072415349 384103270 /nfs/dbraw/zinc/10/32/70/384103270.db2.gz PERGNHOCPRRMEC-VXNVDRBHSA-N 1 0 203.245 1.733 10 0 BDAERO Cn1ncc2c1C[C@@H](c1ccco1)C[C@@H]2[NH3+] ZINC000072415885 384109187 /nfs/dbraw/zinc/10/91/87/384109187.db2.gz OQSTYTDOPNZNME-WPRPVWTQSA-N 1 0 217.272 1.743 10 0 BDAERO O=C1N[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091301894 384113866 /nfs/dbraw/zinc/11/38/66/384113866.db2.gz BJIARHXPANJFCV-OLZOCXBDSA-N 1 0 230.311 1.397 10 0 BDAERO COC[C@@]1(C(=O)N(C)C2CCCC2)CCC[NH2+]1 ZINC000643624162 384119094 /nfs/dbraw/zinc/11/90/94/384119094.db2.gz KMXYENOOEKADDR-CYBMUJFWSA-N 1 0 240.347 1.156 10 0 BDAERO C[NH+](C)CCOc1cc(N)cc(Cl)n1 ZINC000091364256 384121124 /nfs/dbraw/zinc/12/11/24/384121124.db2.gz SLCGQFJPFQYAOH-UHFFFAOYSA-N 1 0 215.684 1.258 10 0 BDAERO CC1CCN(c2nc(C[NH3+])cs2)CC1 ZINC000070628750 384127434 /nfs/dbraw/zinc/12/74/34/384127434.db2.gz UQCAMKRVIXYPPZ-UHFFFAOYSA-N 1 0 211.334 1.838 10 0 BDAERO CCO[C@@H](c1ccccc1)C1=[NH+]C[C@@H](OC)CN1 ZINC000005860905 384137746 /nfs/dbraw/zinc/13/77/46/384137746.db2.gz LVVRBQRKVCNRTI-ZDUSSCGKSA-N 1 0 248.326 1.781 10 0 BDAERO CN[C@H]([NH3+])CCCC(=O)OCc1ccccc1 ZINC000071186631 384154927 /nfs/dbraw/zinc/15/49/27/384154927.db2.gz ZVNBCOZHMBUFBH-LBPRGKRZSA-N 1 0 236.315 1.404 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccn1 ZINC000091667147 384138951 /nfs/dbraw/zinc/13/89/51/384138951.db2.gz IVZOLUFKODMKHD-NEPJUHHUSA-N 1 0 235.331 1.063 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000092055958 384163253 /nfs/dbraw/zinc/16/32/53/384163253.db2.gz FTNPZKSTFXGTAL-OCCSQVGLSA-N 1 0 234.343 1.668 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310502338 384180599 /nfs/dbraw/zinc/18/05/99/384180599.db2.gz JOOYNJORTYYOJM-ZIAGYGMSSA-N 1 0 240.391 1.421 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1cccs1 ZINC000050394307 384201220 /nfs/dbraw/zinc/20/12/20/384201220.db2.gz FPNFHEYJIARJKK-DTWKUNHWSA-N 1 0 224.329 1.677 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCCSCC1 ZINC000227905909 134398569 /nfs/dbraw/zinc/39/85/69/134398569.db2.gz UZJKIDRMGSNBQK-GFCCVEGCSA-N 1 0 247.404 1.603 10 0 BDAERO C[NH2+][C@H](C)[C@H](C)N1CCOC(C)(C)C1 ZINC000043897789 384187630 /nfs/dbraw/zinc/18/76/30/384187630.db2.gz HUJOXCAFYKPZTD-ZJUUUORDSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+][C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072194409 384199751 /nfs/dbraw/zinc/19/97/51/384199751.db2.gz SREOWIJUADGCQP-SECBINFHSA-N 1 0 214.309 1.953 10 0 BDAERO CC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)C(C)C ZINC000082559866 384237305 /nfs/dbraw/zinc/23/73/05/384237305.db2.gz NBBGTRDREJKSAV-DCAQKATOSA-N 1 0 212.337 1.393 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000282287654 384212516 /nfs/dbraw/zinc/21/25/16/384212516.db2.gz IRIJZTKAXHGKTB-HZMBPMFUSA-N 1 0 244.338 1.411 10 0 BDAERO c1nc(N2CCCCC2)nc2c1C[NH2+]C2 ZINC000132302110 384223983 /nfs/dbraw/zinc/22/39/83/384223983.db2.gz DGIWMOSCEBCCRN-UHFFFAOYSA-N 1 0 204.277 1.070 10 0 BDAERO CC[C@](C)(C[NH2+][C@H]1CCC(=O)N[C@@H]1C)OC ZINC000319246818 384226090 /nfs/dbraw/zinc/22/60/90/384226090.db2.gz XOBFJCSDTLSYEE-JFGNBEQYSA-N 1 0 228.336 1.058 10 0 BDAERO CC[C@](C)(C[NH2+][C@@H]1CCC(=O)N[C@@H]1C)OC ZINC000319246815 384226247 /nfs/dbraw/zinc/22/62/47/384226247.db2.gz XOBFJCSDTLSYEE-CKYFFXLPSA-N 1 0 228.336 1.058 10 0 BDAERO Clc1cncnc1NC[C@H]1CCCC[NH2+]1 ZINC000163673557 384229135 /nfs/dbraw/zinc/22/91/35/384229135.db2.gz KSOMYTFBKAHDCO-MRVPVSSYSA-N 1 0 226.711 1.684 10 0 BDAERO Cc1nn(C)cc1CN1[C@H](C)COC[C@@H]1C ZINC000093606626 384252070 /nfs/dbraw/zinc/25/20/70/384252070.db2.gz BDSAGFUCJKKLDZ-AOOOYVTPSA-N 1 0 223.320 1.338 10 0 BDAERO FC(F)(F)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000043298974 384266796 /nfs/dbraw/zinc/26/67/96/384266796.db2.gz NKMNOYDMGSWCJV-ZETCQYMHSA-N 1 0 219.210 1.826 10 0 BDAERO CCC1(C[NH3+])CN(Cc2ccccc2)C1 ZINC000097757575 384276006 /nfs/dbraw/zinc/27/60/06/384276006.db2.gz DOINSPZSOPHDFI-UHFFFAOYSA-N 1 0 204.317 1.857 10 0 BDAERO CC1(NC(=O)[C@@H]2C[NH2+]CCOC2)CCCCC1 ZINC000643647830 384307244 /nfs/dbraw/zinc/30/72/44/384307244.db2.gz ZMYNTAGFHSOPQN-LLVKDONJSA-N 1 0 240.347 1.061 10 0 BDAERO CCCc1nsc(NCCC[NH3+])n1 ZINC000083651576 384318527 /nfs/dbraw/zinc/31/85/27/384318527.db2.gz COPUEIXWWCDNHI-UHFFFAOYSA-N 1 0 200.311 1.251 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000282483653 384296101 /nfs/dbraw/zinc/29/61/01/384296101.db2.gz VNTDGPONMOKGBD-JOYOIKCWSA-N 1 0 236.290 1.582 10 0 BDAERO Cc1noc(C)c1[C@@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000178667182 384298226 /nfs/dbraw/zinc/29/82/26/384298226.db2.gz ABEVHCCPTQLXHX-HTQZYQBOSA-N 1 0 239.319 1.248 10 0 BDAERO Cc1cnc(O[C@@H]2CC[NH2+]C2)nc1Cl ZINC000095069341 384335587 /nfs/dbraw/zinc/33/55/87/384335587.db2.gz GHRMFNGNGFASIJ-SSDOTTSWSA-N 1 0 213.668 1.179 10 0 BDAERO Clc1nccc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070323 384337054 /nfs/dbraw/zinc/33/70/54/384337054.db2.gz QNKXDGSFBUJYRW-QMMMGPOBSA-N 1 0 226.711 1.684 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000308834501 384338143 /nfs/dbraw/zinc/33/81/43/384338143.db2.gz HOZFMIRTPXCUHN-UISBYWKRSA-N 1 0 205.305 1.796 10 0 BDAERO Cc1ccc(O)c(CN2CC[C@@H]([NH+](C)C)C2)n1 ZINC000134166561 384338113 /nfs/dbraw/zinc/33/81/13/384338113.db2.gz ARJIMJGXKPIYEG-LLVKDONJSA-N 1 0 235.331 1.232 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1cc(Cl)ncn1 ZINC000095071103 384338312 /nfs/dbraw/zinc/33/83/12/384338312.db2.gz ZDYIWDWNUBEMDJ-VIFPVBQESA-N 1 0 240.738 1.566 10 0 BDAERO Cc1ccc(N(C)C[C@H]2CCCC[NH2+]2)nc1 ZINC000095070789 384338499 /nfs/dbraw/zinc/33/84/99/384338499.db2.gz CMFZYLMQKRUNOC-GFCCVEGCSA-N 1 0 219.332 1.968 10 0 BDAERO Cc1ccc(N(C)C[C@H]2CC[NH2+]C2)nc1 ZINC000095071209 384339409 /nfs/dbraw/zinc/33/94/09/384339409.db2.gz YXEHOIUSTPYSFF-NSHDSACASA-N 1 0 205.305 1.436 10 0 BDAERO Cc1ccnc(N(C)C[C@@H]2CCCC[NH2+]2)n1 ZINC000095070802 384339427 /nfs/dbraw/zinc/33/94/27/384339427.db2.gz USUQQKSEEPJXJH-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO CN(Cc1cncs1)C[C@H]1CCCC[NH2+]1 ZINC000095070875 384339530 /nfs/dbraw/zinc/33/95/30/384339530.db2.gz BXTMOQBLVNZJKP-SNVBAGLBSA-N 1 0 225.361 1.717 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643652432 384341140 /nfs/dbraw/zinc/34/11/40/384341140.db2.gz RVUOSRLHTVZLLJ-GMXVVIOVSA-N 1 0 242.363 1.306 10 0 BDAERO CN(Cc1cncs1)C[C@@H]1CC[NH2+]C1 ZINC000095071298 384341508 /nfs/dbraw/zinc/34/15/08/384341508.db2.gz DQVWQIWRUAJHLN-SECBINFHSA-N 1 0 211.334 1.184 10 0 BDAERO CSc1nccnc1COC[C@@H]1CC[NH2+]C1 ZINC000095071952 384341933 /nfs/dbraw/zinc/34/19/33/384341933.db2.gz ADZGTYLEBSRSSZ-SECBINFHSA-N 1 0 239.344 1.325 10 0 BDAERO Nc1nc2ccccc2nc1OC[C@@H]1CCC[NH2+]1 ZINC000095072186 384343014 /nfs/dbraw/zinc/34/30/14/384343014.db2.gz SAPHKGWKEKRSJP-VIFPVBQESA-N 1 0 244.298 1.343 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1Nc1ccnc(Cl)n1 ZINC000095072209 384343241 /nfs/dbraw/zinc/34/32/41/384343241.db2.gz NPLFWUZACKCWCN-HTQZYQBOSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+]C[C@H]1CCCN(CC(=O)c2cccs2)C1 ZINC000095072545 384343420 /nfs/dbraw/zinc/34/34/20/384343420.db2.gz FWRYYNFUMGDIIN-SNVBAGLBSA-N 1 0 238.356 1.602 10 0 BDAERO [NH3+]C[C@H]1CCCN1CC(=O)c1cccs1 ZINC000095072618 384343438 /nfs/dbraw/zinc/34/34/38/384343438.db2.gz CTMCNFSVNMOBNE-SECBINFHSA-N 1 0 224.329 1.354 10 0 BDAERO [NH3+][C@@H]1CCCN(Cc2ccnc(Cl)n2)C1 ZINC000095072376 384343462 /nfs/dbraw/zinc/34/34/62/384343462.db2.gz CLXQWXJCFIIOIT-MRVPVSSYSA-N 1 0 226.711 1.053 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCc1cncs1 ZINC000095072300 384343682 /nfs/dbraw/zinc/34/36/82/384343682.db2.gz LHGLULYPUPRVBK-UWVGGRQHSA-N 1 0 211.334 1.503 10 0 BDAERO O=C(COC1CC[NH2+]CC1)c1ccccn1 ZINC000095072854 384344970 /nfs/dbraw/zinc/34/49/70/384344970.db2.gz PAGTWSJJLCBQEE-UHFFFAOYSA-N 1 0 220.272 1.033 10 0 BDAERO O=C(COCC1CC[NH2+]CC1)c1nccs1 ZINC000095072910 384346175 /nfs/dbraw/zinc/34/61/75/384346175.db2.gz SKOLUDRUDZHBAE-UHFFFAOYSA-N 1 0 240.328 1.342 10 0 BDAERO O=C(COC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000095072859 384346214 /nfs/dbraw/zinc/34/62/14/384346214.db2.gz OOGGXUIYXQLDPO-JTQLQIEISA-N 1 0 223.272 1.621 10 0 BDAERO O=[S@](Cc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000095073438 384347530 /nfs/dbraw/zinc/34/75/30/384347530.db2.gz RDKISHKNSBAKSH-ABAIWWIYSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](C[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000095073495 384347800 /nfs/dbraw/zinc/34/78/00/384347800.db2.gz HJBYWBGDLNAAEG-CLAHSXSESA-N 1 0 230.358 1.393 10 0 BDAERO O=[S@@](C[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095073594 384347812 /nfs/dbraw/zinc/34/78/12/384347812.db2.gz YNXMROIANKSQMV-ZUZCIYMTSA-N 1 0 224.329 1.189 10 0 BDAERO O=[S@](Cc1cncs1)C[C@@H]1CCC[NH2+]1 ZINC000095073580 384348029 /nfs/dbraw/zinc/34/80/29/384348029.db2.gz MPAZOMOQANUQSN-RMLUDKJBSA-N 1 0 230.358 1.144 10 0 BDAERO O=[S@](C[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000095073553 384348591 /nfs/dbraw/zinc/34/85/91/384348591.db2.gz HYWHZXOPFZPGAD-CPFSXVBKSA-N 1 0 216.331 1.003 10 0 BDAERO CCC[C@H](C(=O)NCCc1cccnc1)[NH+](C)C ZINC000134349754 384349730 /nfs/dbraw/zinc/34/97/30/384349730.db2.gz XSUKQUWVAVAWMJ-CYBMUJFWSA-N 1 0 249.358 1.471 10 0 BDAERO C[NH2+][C@H]1CCOC[C@@H]1Cc1ccccc1F ZINC000095075935 384349965 /nfs/dbraw/zinc/34/99/65/384349965.db2.gz FJIPUOKCBTZAPA-AAEUAGOBSA-N 1 0 223.291 1.993 10 0 BDAERO O=C1Nc2ccccc2CN1C[C@@H]1CCC[NH2+]1 ZINC000095077844 384353333 /nfs/dbraw/zinc/35/33/33/384353333.db2.gz SBNGPKRILPAHBA-NSHDSACASA-N 1 0 231.299 1.786 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCC(=O)c1ccccn1 ZINC000095077415 384353694 /nfs/dbraw/zinc/35/36/94/384353694.db2.gz BZTRIWABYJENIV-MNOVXSKESA-N 1 0 233.315 1.124 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@@H]2CO2)C1 ZINC000095082519 384359305 /nfs/dbraw/zinc/35/93/05/384359305.db2.gz LOHFUTADEFJBDN-VHSXEESVSA-N 1 0 227.304 1.049 10 0 BDAERO CC(C)N([C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095088063 384360966 /nfs/dbraw/zinc/36/09/66/384360966.db2.gz WGRAMKKNGZWBDT-QMMMGPOBSA-N 1 0 210.243 1.969 10 0 BDAERO C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000095088676 384361093 /nfs/dbraw/zinc/36/10/93/384361093.db2.gz SXOXUYMPPQNOKB-VIFPVBQESA-N 1 0 228.336 1.803 10 0 BDAERO Cc1cnc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)s1 ZINC000335597176 384362170 /nfs/dbraw/zinc/36/21/70/384362170.db2.gz NLKDZYZFAYWWQP-IUCAKERBSA-N 1 0 239.344 1.778 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCN1CCCCC1 ZINC000335596251 384363302 /nfs/dbraw/zinc/36/33/02/384363302.db2.gz GOBDXFPUJFQMRP-STQMWFEESA-N 1 0 226.364 1.318 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCN1CCCCC1 ZINC000335596250 384363827 /nfs/dbraw/zinc/36/38/27/384363827.db2.gz GOBDXFPUJFQMRP-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cccnc1 ZINC000335595349 384365258 /nfs/dbraw/zinc/36/52/58/384365258.db2.gz BJVOVOYIMWKBLO-AAEUAGOBSA-N 1 0 247.342 1.428 10 0 BDAERO Cn1nccc1[C@@H]1[C@@H](C[NH3+])CCCN1C1CC1 ZINC000159907575 384370047 /nfs/dbraw/zinc/37/00/47/384370047.db2.gz CLQJJIMBCJTEAB-MFKMUULPSA-N 1 0 234.347 1.294 10 0 BDAERO COC[C@@]1(C(=O)N(C)CC(C)(C)C)CCC[NH2+]1 ZINC000643650835 384329552 /nfs/dbraw/zinc/32/95/52/384329552.db2.gz RVINJQDUBKGLHF-CYBMUJFWSA-N 1 0 242.363 1.260 10 0 BDAERO Cc1cc(Cl)nc(N2CCCC[C@H]2C[NH3+])n1 ZINC000095068917 384331635 /nfs/dbraw/zinc/33/16/35/384331635.db2.gz CASFMEYYZBTCFH-VIFPVBQESA-N 1 0 240.738 1.756 10 0 BDAERO COC(=O)c1cccc2n[nH]c(C[C@@H](C)[NH3+])c21 ZINC000044463440 384331780 /nfs/dbraw/zinc/33/17/80/384331780.db2.gz SRGXFEDSUBWIBP-SSDOTTSWSA-N 1 0 233.271 1.239 10 0 BDAERO Cc1cc(N2CCC[C@H](C[NH3+])C2)nc(Cl)n1 ZINC000095068823 384331982 /nfs/dbraw/zinc/33/19/82/384331982.db2.gz UWGJDLWRPXZCED-SECBINFHSA-N 1 0 240.738 1.614 10 0 BDAERO Cc1ccc([S@](=O)C[C@H]2CCC[NH2+]2)nc1 ZINC000095069059 384332074 /nfs/dbraw/zinc/33/20/74/384332074.db2.gz IFZFIIBFRWSDNB-BMIGLBTASA-N 1 0 224.329 1.250 10 0 BDAERO Cc1ccnc([S@@](=O)C[C@@H]2CCCC[NH2+]2)n1 ZINC000095069280 384332778 /nfs/dbraw/zinc/33/27/78/384332778.db2.gz QUACHNMJSSWJJO-MGPLVRAMSA-N 1 0 239.344 1.035 10 0 BDAERO CC(C)(C)OC(=O)Nc1cccnc1C[NH3+] ZINC000095748909 384393259 /nfs/dbraw/zinc/39/32/59/384393259.db2.gz QOSXKEVUNZWVFW-UHFFFAOYSA-N 1 0 223.276 1.887 10 0 BDAERO Oc1cccc(C[NH2+]CC2CC(O)C2)c1 ZINC000084446209 384397581 /nfs/dbraw/zinc/39/75/81/384397581.db2.gz DNCWWIPDLDURIQ-UHFFFAOYSA-N 1 0 207.273 1.253 10 0 BDAERO COC(=O)[C@@](C)(C[NH3+])c1ccccc1F ZINC000096034581 384427072 /nfs/dbraw/zinc/42/70/72/384427072.db2.gz ORQNRNBAUTXYNV-NSHDSACASA-N 1 0 211.236 1.215 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NCc1cccc(O)c1 ZINC000335644701 384419181 /nfs/dbraw/zinc/41/91/81/384419181.db2.gz YBJTUMQHUUOVKP-ZWNOBZJWSA-N 1 0 220.316 1.622 10 0 BDAERO CC(CO)(CO)[NH2+]Cc1ccccc1Cl ZINC000096033136 384424088 /nfs/dbraw/zinc/42/40/88/384424088.db2.gz JNEWUDAPLZGDCN-UHFFFAOYSA-N 1 0 229.707 1.173 10 0 BDAERO CC[C@H](CO)[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033740 384424772 /nfs/dbraw/zinc/42/47/72/384424772.db2.gz JWZOQHMAYFSJTC-GZBOUJLJSA-N 1 0 201.310 1.303 10 0 BDAERO COC(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000047345937 384449695 /nfs/dbraw/zinc/44/96/95/384449695.db2.gz DODJKXYRLNGEBP-UHFFFAOYSA-N 1 0 249.310 1.948 10 0 BDAERO CC[C@H](C)[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000181137618 384455552 /nfs/dbraw/zinc/45/55/52/384455552.db2.gz KVTVDNFIHOOZKN-RWMBFGLXSA-N 1 0 226.364 1.437 10 0 BDAERO O=C1NC[C@H](C[NH2+][C@@H]2CC3CCC2CC3)O1 ZINC000309835903 384436085 /nfs/dbraw/zinc/43/60/85/384436085.db2.gz LQNYZURFZMZFHO-WFBLGPOFSA-N 1 0 224.304 1.263 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403065368 384459826 /nfs/dbraw/zinc/45/98/26/384459826.db2.gz DLPHAVXQOAEAFA-KXNHARMFSA-N 1 0 224.348 1.666 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccncc1Cl ZINC000309201265 384461127 /nfs/dbraw/zinc/46/11/27/384461127.db2.gz LJRGFPIZDHHHHJ-OIBJUYFYSA-N 1 0 239.706 1.297 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC000400555153 384473773 /nfs/dbraw/zinc/47/37/73/384473773.db2.gz PPTYWSQGFXYENL-UPJWGTAASA-N 1 0 227.348 1.648 10 0 BDAERO C[C@]1(C(=O)N[C@@H]2CC23CC3)CCCC[NH2+]1 ZINC000335030843 384500972 /nfs/dbraw/zinc/50/09/72/384500972.db2.gz SUVOHANISSCJRM-MWLCHTKSSA-N 1 0 208.305 1.187 10 0 BDAERO C(CN1CC[N@@H+]2CCC[C@@H]2C1)OCC1CC1 ZINC000172794789 384527244 /nfs/dbraw/zinc/52/72/44/384527244.db2.gz UNBATJLCVQPCHW-CYBMUJFWSA-N 1 0 224.348 1.193 10 0 BDAERO C[C@@H](C[NH2+][C@@H](C)c1ccco1)N1CCOCC1 ZINC000123485480 384561716 /nfs/dbraw/zinc/56/17/16/384561716.db2.gz FNPVWWLCLKCKNG-RYUDHWBXSA-N 1 0 238.331 1.651 10 0 BDAERO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000186396314 134418373 /nfs/dbraw/zinc/41/83/73/134418373.db2.gz UYTDOBZEUMINLS-DGCLKSJQSA-N 1 0 226.364 1.485 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3ncnc32)[C@@H]1C ZINC000309747758 384576375 /nfs/dbraw/zinc/57/63/75/384576375.db2.gz GBLKUPUFLMRUAQ-DBIOUOCHSA-N 1 0 220.320 1.747 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000309786222 384607682 /nfs/dbraw/zinc/60/76/82/384607682.db2.gz OBDGKLPOQZTSPF-HBNTYKKESA-N 1 0 222.332 1.576 10 0 BDAERO [NH3+]C[C@H]1CCN(CC(=O)c2cccs2)C1 ZINC000050250135 384611698 /nfs/dbraw/zinc/61/16/98/384611698.db2.gz GNFWHQKKFHCAQE-SECBINFHSA-N 1 0 224.329 1.211 10 0 BDAERO Cc1cnc(CN[C@@H](C)[C@@H]2CCCO2)nc1 ZINC000309794754 384615401 /nfs/dbraw/zinc/61/54/01/384615401.db2.gz PWTRUVVPCWWEOX-QWRGUYRKSA-N 1 0 221.304 1.442 10 0 BDAERO CC[C@H]1C[N@H+](CCSC)CCN1C[C@@H](C)O ZINC000171630058 384616412 /nfs/dbraw/zinc/61/64/12/384616412.db2.gz PDJMUFAALBOENC-NEPJUHHUSA-N 1 0 246.420 1.126 10 0 BDAERO C[C@@](O)(C[N@@H+]1CC[C@H](CCO)C1)C(F)(F)F ZINC000309807300 384633393 /nfs/dbraw/zinc/63/33/93/384633393.db2.gz XYZQGADBKSXWIB-RKDXNWHRSA-N 1 0 241.253 1.004 10 0 BDAERO O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000403301032 384625850 /nfs/dbraw/zinc/62/58/50/384625850.db2.gz ZQAOMUFRUPSWOR-WRWGMCAJSA-N 1 0 222.332 1.291 10 0 BDAERO CCC(C)(C)CCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000643085607 384626786 /nfs/dbraw/zinc/62/67/86/384626786.db2.gz ULAIELWQYHRVLH-NWDGAFQWSA-N 1 0 226.364 1.485 10 0 BDAERO CC[C@H]1Nc2ccccc2NC2=[NH+]CCN21 ZINC000100261331 384628518 /nfs/dbraw/zinc/62/85/18/384628518.db2.gz ACUDNXQIDZIIQZ-NSHDSACASA-N 1 0 216.288 1.741 10 0 BDAERO COc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c1 ZINC000334746860 384597578 /nfs/dbraw/zinc/59/75/78/384597578.db2.gz RWIHUMGYBFADIY-DGCLKSJQSA-N 1 0 235.327 1.898 10 0 BDAERO c1ccc(COCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000051917951 384700426 /nfs/dbraw/zinc/70/04/26/384700426.db2.gz UCVJTWUSZQPOIJ-LBPRGKRZSA-N 1 0 220.316 1.988 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000309910463 384704619 /nfs/dbraw/zinc/70/46/19/384704619.db2.gz MKRXGKJUOFFYLS-NNYUYHANSA-N 1 0 227.348 1.551 10 0 BDAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262739057 384712849 /nfs/dbraw/zinc/71/28/49/384712849.db2.gz HMGFIPRXHQTBQS-FIQHERPVSA-N 1 0 240.347 1.140 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000648185327 384718214 /nfs/dbraw/zinc/71/82/14/384718214.db2.gz UDAJUGUKBFCYAC-MCIGGMRASA-N 1 0 236.359 1.823 10 0 BDAERO Cc1ccc([C@@H](N)C[NH3+])cc1Br ZINC000072201226 384816211 /nfs/dbraw/zinc/81/62/11/384816211.db2.gz HYDHBEFUAXBBRX-VIFPVBQESA-N 1 0 229.121 1.716 10 0 BDAERO Cc1ccc([C@@H]([NH3+])CO)cc1Br ZINC000072198661 384816442 /nfs/dbraw/zinc/81/64/42/384816442.db2.gz YSVIUORWGXALKI-VIFPVBQESA-N 1 0 230.105 1.750 10 0 BDAERO [NH3+][C@@H](CO)c1ccc(C(F)(F)F)cc1F ZINC000072198442 384816571 /nfs/dbraw/zinc/81/65/71/384816571.db2.gz XAUPWTSTDMVZKL-QMMMGPOBSA-N 1 0 223.169 1.837 10 0 BDAERO [NH3+][C@@H](CO)c1cc(F)cc(C(F)(F)F)c1 ZINC000072198446 384816739 /nfs/dbraw/zinc/81/67/39/384816739.db2.gz BMKLBPPBGVGXOT-QMMMGPOBSA-N 1 0 223.169 1.837 10 0 BDAERO CSC[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000108994254 384821670 /nfs/dbraw/zinc/82/16/70/384821670.db2.gz MLQHLFFMNPWASR-VHSXEESVSA-N 1 0 230.377 1.148 10 0 BDAERO Cc1ccc2nnc([C@H](C[NH3+])C(C)C)n2n1 ZINC000083602714 384783169 /nfs/dbraw/zinc/78/31/69/384783169.db2.gz SMRDOKICZMJILV-SECBINFHSA-N 1 0 219.292 1.131 10 0 BDAERO [NH3+]CCc1nc(-c2cccc(F)c2)n[nH]1 ZINC000061844085 384792082 /nfs/dbraw/zinc/79/20/82/384792082.db2.gz YJMIDSMFMHQYJM-UHFFFAOYSA-N 1 0 206.224 1.112 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)CC(F)F ZINC000648194216 384811592 /nfs/dbraw/zinc/81/15/92/384811592.db2.gz WLDYFURVWFTLFK-CIUDSAMLSA-N 1 0 234.290 1.521 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)CC(F)F ZINC000648193969 384812664 /nfs/dbraw/zinc/81/26/64/384812664.db2.gz OXLOJSDZLOGJGD-GUBZILKMSA-N 1 0 248.317 1.782 10 0 BDAERO Cc1ccc([C@H]([NH3+])CO)c(Br)c1 ZINC000072198652 384815200 /nfs/dbraw/zinc/81/52/00/384815200.db2.gz NMOXDSQWTAPHGY-SECBINFHSA-N 1 0 230.105 1.750 10 0 BDAERO c1ccc2c(c1)ncnc2N[C@H]1CCC[NH2+]C1 ZINC000071397655 384870680 /nfs/dbraw/zinc/87/06/80/384870680.db2.gz HPVKBVQIZFDAFJ-JTQLQIEISA-N 1 0 228.299 1.794 10 0 BDAERO Cc1occc1-c1n[nH]c(CCC[NH3+])n1 ZINC000072236577 384840386 /nfs/dbraw/zinc/84/03/86/384840386.db2.gz PPLZIQGGRQNRIH-UHFFFAOYSA-N 1 0 206.249 1.264 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000310109539 384842032 /nfs/dbraw/zinc/84/20/32/384842032.db2.gz DXRKLVKSSAZNTC-IJLUTSLNSA-N 1 0 243.347 1.026 10 0 BDAERO C[C@H](C[N@@H+]1CCO[C@@H](CO)C1)C1CCCCC1 ZINC000310131112 384852176 /nfs/dbraw/zinc/85/21/76/384852176.db2.gz ABCKDMXKXPKFSG-TZMCWYRMSA-N 1 0 241.375 1.896 10 0 BDAERO C[C@H](C[N@@H+]1CCO[C@H](CO)C1)C1CCCCC1 ZINC000310131107 384852340 /nfs/dbraw/zinc/85/23/40/384852340.db2.gz ABCKDMXKXPKFSG-OCCSQVGLSA-N 1 0 241.375 1.896 10 0 BDAERO CC[C@H](O)CN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000177045509 384852731 /nfs/dbraw/zinc/85/27/31/384852731.db2.gz FQKAJTUHJIGONX-UWVGGRQHSA-N 1 0 231.336 1.419 10 0 BDAERO Cc1ccccc1[C@H](C)NC(=O)C1(C)C[NH2+]C1 ZINC000335227219 384858644 /nfs/dbraw/zinc/85/86/44/384858644.db2.gz FZQMMUBDOJTXFF-NSHDSACASA-N 1 0 232.327 1.782 10 0 BDAERO Cn1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)n1 ZINC000164260070 384950032 /nfs/dbraw/zinc/95/00/32/384950032.db2.gz PJHQPBRPWHWNSS-PWSUYJOCSA-N 1 0 223.320 1.061 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000086929341 384896205 /nfs/dbraw/zinc/89/62/05/384896205.db2.gz IYKTUVFHMDWRCY-CHWSQXEVSA-N 1 0 226.364 1.439 10 0 BDAERO COC[C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177218339 384914311 /nfs/dbraw/zinc/91/43/11/384914311.db2.gz QDPXKKSYFOZKTJ-AXFHLTTASA-N 1 0 240.347 1.010 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000148437470 384938510 /nfs/dbraw/zinc/93/85/10/384938510.db2.gz MBFVKSDHAZSASS-ZJUUUORDSA-N 1 0 228.336 1.803 10 0 BDAERO COCc1nc(C[NH2+][C@H]2CCC[C@@H]2O)cs1 ZINC000164613349 384985478 /nfs/dbraw/zinc/98/54/78/384985478.db2.gz WDURKYHSVLXHOL-UWVGGRQHSA-N 1 0 242.344 1.293 10 0 BDAERO C[C@@H](COCc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000307331282 384990938 /nfs/dbraw/zinc/99/09/38/384990938.db2.gz OUQTXTGZWHSVPA-JSGCOSHPSA-N 1 0 234.343 1.543 10 0 BDAERO CCc1cc(N2C[C@H](C)C[C@@H](O)C2)cc[nH+]1 ZINC000336275329 384998640 /nfs/dbraw/zinc/99/86/40/384998640.db2.gz PCKFYEXKLFPASD-ZWNOBZJWSA-N 1 0 220.316 1.851 10 0 BDAERO Cc1nnc(N[C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000307392215 385008821 /nfs/dbraw/zinc/00/88/21/385008821.db2.gz YDAYKETWKKZPGI-HTRCEHHLSA-N 1 0 212.322 1.256 10 0 BDAERO CO[C@@H]1C[N@H+](CC2(O)CCC2)CC[C@H]1C ZINC000334148989 385051305 /nfs/dbraw/zinc/05/13/05/385051305.db2.gz DCKLFQSEUVDFSY-GHMZBOCLSA-N 1 0 213.321 1.258 10 0 BDAERO CC(C)C[C@@H]([NH3+])c1noc(-c2cn(C)cn2)n1 ZINC000647133395 385055971 /nfs/dbraw/zinc/05/59/71/385055971.db2.gz GFYKGQUELUBWRS-MRVPVSSYSA-N 1 0 235.291 1.516 10 0 BDAERO [NH3+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000060051006 385061067 /nfs/dbraw/zinc/06/10/67/385061067.db2.gz ZRGMEPVPIGRPOL-LLVKDONJSA-N 1 0 204.273 1.136 10 0 BDAERO CC[C@H](O)CN1CCC([NH+]2CCCC2)CC1 ZINC000303987905 385074195 /nfs/dbraw/zinc/07/41/95/385074195.db2.gz JOYHFCVKMGWIEG-ZDUSSCGKSA-N 1 0 226.364 1.318 10 0 BDAERO Cc1nnc(SCC[NH3+])n1C1CCCC1 ZINC000058823411 385023769 /nfs/dbraw/zinc/02/37/69/385023769.db2.gz NQLQPIKGRULISX-UHFFFAOYSA-N 1 0 226.349 1.752 10 0 BDAERO CCCC[NH2+]Cc1[nH]cc(C)c(=O)c1C ZINC000058823401 385026101 /nfs/dbraw/zinc/02/61/01/385026101.db2.gz JCQXMPBDWAGCAW-UHFFFAOYSA-N 1 0 208.305 1.881 10 0 BDAERO Cc1c(CN[C@H](C)CC[NH+](C)C)cnn1C ZINC000086552020 385027283 /nfs/dbraw/zinc/02/72/83/385027283.db2.gz BZIOVEJQBLXTKQ-SNVBAGLBSA-N 1 0 224.352 1.158 10 0 BDAERO NNc1nc(Oc2ccccc2)cc[nH+]1 ZINC000058825424 385028123 /nfs/dbraw/zinc/02/81/23/385028123.db2.gz TWCIAQLUDFKXBG-UHFFFAOYSA-N 1 0 202.217 1.555 10 0 BDAERO C[C@@H](CCCC[NH3+])Nc1ccnc(C(N)=O)c1 ZINC000310401158 385037759 /nfs/dbraw/zinc/03/77/59/385037759.db2.gz KRTYHYOYFXUREA-VIFPVBQESA-N 1 0 236.319 1.110 10 0 BDAERO Nc1c(F)cccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156399860 385039201 /nfs/dbraw/zinc/03/92/01/385039201.db2.gz DFKCQLQHFBQPIW-GFCCVEGCSA-N 1 0 249.333 1.688 10 0 BDAERO C[C@H]([NH3+])C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000157214010 385114244 /nfs/dbraw/zinc/11/42/44/385114244.db2.gz QXTOYQORYGHMTN-QWRGUYRKSA-N 1 0 247.342 1.074 10 0 BDAERO COCCCC[N@@H+]1CCC[C@H]1CCCO ZINC000157216220 385114448 /nfs/dbraw/zinc/11/44/48/385114448.db2.gz PPMMURUVOLPWFE-LBPRGKRZSA-N 1 0 215.337 1.650 10 0 BDAERO CC[C@@H](CO)[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000345847494 385139103 /nfs/dbraw/zinc/13/91/03/385139103.db2.gz YXVHWEMOHWGFBJ-VHSXEESVSA-N 1 0 203.326 1.096 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000128951228 385088529 /nfs/dbraw/zinc/08/85/29/385088529.db2.gz NUZVWHGHULNCII-NWDGAFQWSA-N 1 0 223.320 1.708 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cccc(C)c2)C1 ZINC000310498949 385090648 /nfs/dbraw/zinc/09/06/48/385090648.db2.gz IUIHLAZMQGTLTN-KGLIPLIRSA-N 1 0 235.327 1.577 10 0 BDAERO Cc1cscc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000176455167 385091914 /nfs/dbraw/zinc/09/19/14/385091914.db2.gz JRWSZSKRCHLNJN-SNVBAGLBSA-N 1 0 238.356 1.833 10 0 BDAERO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CNC(=O)O1 ZINC000309133086 385106125 /nfs/dbraw/zinc/10/61/25/385106125.db2.gz RKFIIQMCVGMKGO-RKDXNWHRSA-N 1 0 212.293 1.263 10 0 BDAERO C[C@H]1CN(C[C@H]2CCC[NH2+]2)CCS1 ZINC000227650517 385181519 /nfs/dbraw/zinc/18/15/19/385181519.db2.gz JWAXJKKMZIMNOM-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO Nc1cc(C[N@@H+]2C[C@H]3CCC[C@H]32)ccn1 ZINC000308815269 385183560 /nfs/dbraw/zinc/18/35/60/385183560.db2.gz DWVRVJLMTWWEEN-GHMZBOCLSA-N 1 0 203.289 1.648 10 0 BDAERO N[C@H](CC[NH3+])c1ccc(Br)s1 ZINC000259302429 385179646 /nfs/dbraw/zinc/17/96/46/385179646.db2.gz KEQUKSIEDQJMQV-RXMQYKEDSA-N 1 0 235.150 1.859 10 0 BDAERO CCCC[N@@H+]1CCc2nnc(N)cc2C1 ZINC000308839354 385212160 /nfs/dbraw/zinc/21/21/60/385212160.db2.gz MSVIZDMPFONBCT-UHFFFAOYSA-N 1 0 206.293 1.217 10 0 BDAERO CCOC[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000044723412 385218818 /nfs/dbraw/zinc/21/88/18/385218818.db2.gz XPHCHYIRIRLCTH-SRVKXCTJSA-N 1 0 215.337 1.695 10 0 BDAERO C[C@@H](C(=O)N[C@H]1CCCCC1(C)C)C1C[NH2+]C1 ZINC000164660223 385221929 /nfs/dbraw/zinc/22/19/29/385221929.db2.gz FNQFBFLQJREKJI-PWSUYJOCSA-N 1 0 238.375 1.927 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000306562312 385240733 /nfs/dbraw/zinc/24/07/33/385240733.db2.gz CIMFTRHSKXRLOO-SFYZADRCSA-N 1 0 215.297 1.014 10 0 BDAERO Cc1cnc(CC[N@@H+]2CC[C@H](CCO)C2)c(C)c1 ZINC000401108311 385248826 /nfs/dbraw/zinc/24/88/26/385248826.db2.gz GROXTYFGWZMYAE-CQSZACIVSA-N 1 0 248.370 1.945 10 0 BDAERO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000309182470 385204771 /nfs/dbraw/zinc/20/47/71/385204771.db2.gz NZMOBSNKHKCOSA-KXUCPTDWSA-N 1 0 212.293 1.263 10 0 BDAERO CCCCOCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000157908633 385304094 /nfs/dbraw/zinc/30/40/94/385304094.db2.gz PTLQBRWJTSBEBD-RYUDHWBXSA-N 1 0 242.363 1.165 10 0 BDAERO N[C@@H](C[NH3+])c1cc(Cl)ccc1Cl ZINC000044469922 385310294 /nfs/dbraw/zinc/31/02/94/385310294.db2.gz VZBYMKAPTGANCR-QMMMGPOBSA-N 1 0 205.088 1.952 10 0 BDAERO CCOc1ccc(Cn2cc(C[NH3+])nn2)cc1 ZINC000050224946 385313010 /nfs/dbraw/zinc/31/30/10/385313010.db2.gz AWNOJAPRCYLMJQ-UHFFFAOYSA-N 1 0 232.287 1.184 10 0 BDAERO CN1CCO[C@@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC000255053350 385271106 /nfs/dbraw/zinc/27/11/06/385271106.db2.gz HHSQFTODCKRPEW-GZTOBOFZSA-N 1 0 240.347 1.036 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000052287386 385274833 /nfs/dbraw/zinc/27/48/33/385274833.db2.gz VTRCVDOHEYMHIA-KCJUWKMLSA-N 1 0 204.273 1.284 10 0 BDAERO CC1CCN(c2ccnc(NCC[NH3+])n2)CC1 ZINC000409430966 385328784 /nfs/dbraw/zinc/32/87/84/385328784.db2.gz XQORDFVNIPGPSE-UHFFFAOYSA-N 1 0 235.335 1.084 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000409430990 385330168 /nfs/dbraw/zinc/33/01/68/385330168.db2.gz YBYURUFTPQWKQB-PWSUYJOCSA-N 1 0 233.315 1.482 10 0 BDAERO O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H](C(F)F)C1 ZINC000409424490 385331548 /nfs/dbraw/zinc/33/15/48/385331548.db2.gz BZRMBLPPYWOURU-RKDXNWHRSA-N 1 0 232.274 1.242 10 0 BDAERO c1nn(C[C@@H]2CCCO2)cc1C1CC[NH2+]CC1 ZINC000409424585 385331770 /nfs/dbraw/zinc/33/17/70/385331770.db2.gz HCTJPHIEGGOGNE-ZDUSSCGKSA-N 1 0 235.331 1.529 10 0 BDAERO Cc1nc([C@@H]2C[NH2+]C[C@H]2c2ccncc2)no1 ZINC000409424469 385332420 /nfs/dbraw/zinc/33/24/20/385332420.db2.gz VLUGGYJZENTSNB-WDEREUQCSA-N 1 0 230.271 1.244 10 0 BDAERO C([NH2+][C@H]1CCOC1)[C@@H]1CC12CCOCC2 ZINC000308979290 385332935 /nfs/dbraw/zinc/33/29/35/385332935.db2.gz HOHVKEARTFCPFA-QWRGUYRKSA-N 1 0 211.305 1.182 10 0 BDAERO C[C@H](CO)[NH2+]C1CC(c2ccccn2)C1 ZINC000308989316 385334087 /nfs/dbraw/zinc/33/40/87/385334087.db2.gz KRWZVMDYZINZDB-KPPDAEKUSA-N 1 0 206.289 1.298 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cc(C)ccc2C)C1 ZINC000311148613 385343242 /nfs/dbraw/zinc/34/32/42/385343242.db2.gz VJGRFLXOKHHIJB-CABCVRRESA-N 1 0 249.354 1.885 10 0 BDAERO CC[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000309000937 385363673 /nfs/dbraw/zinc/36/36/73/385363673.db2.gz ROPCDBSAXFZDDM-NEPJUHHUSA-N 1 0 212.337 1.191 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2CC2=CCCOC2)cn1 ZINC000131942774 385369696 /nfs/dbraw/zinc/36/96/96/385369696.db2.gz SPVLDOGJCHDGLT-AWEZNQCLSA-N 1 0 247.342 1.904 10 0 BDAERO OCC[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000161593508 385374967 /nfs/dbraw/zinc/37/49/67/385374967.db2.gz BSIKMRIJBRLCND-NSHDSACASA-N 1 0 213.321 1.117 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@H]1c1cc(N)n[nH]1 ZINC000259403810 385424321 /nfs/dbraw/zinc/42/43/21/385424321.db2.gz XIUIYXVEVOTXKG-JTQLQIEISA-N 1 0 208.309 1.927 10 0 BDAERO COC(=O)[C@@H](N)[C@H](C)Oc1cccc(Cl)c1 ZINC000169726777 385418262 /nfs/dbraw/zinc/41/82/62/385418262.db2.gz GOSFVTKSSLGKOA-XVKPBYJWSA-N 1 0 243.690 1.608 10 0 BDAERO c1cnn([C@@H](c2ccccc2)C2C[NH2+]C2)n1 ZINC000169726610 385419222 /nfs/dbraw/zinc/41/92/22/385419222.db2.gz ARXWLZFUBOVHOK-LBPRGKRZSA-N 1 0 214.272 1.087 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1nccc2ccccc21 ZINC000259433571 385440232 /nfs/dbraw/zinc/44/02/32/385440232.db2.gz JLULAPCZJZYZAV-CYBMUJFWSA-N 1 0 227.311 1.811 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2CC2CC2)cn1 ZINC000156096851 385436079 /nfs/dbraw/zinc/43/60/79/385436079.db2.gz UKCXTWMCPWDHCZ-LBPRGKRZSA-N 1 0 205.305 1.967 10 0 BDAERO O=C(NCc1ccccc1)[C@H]1C[NH2+]CCS1 ZINC000257660986 385488389 /nfs/dbraw/zinc/48/83/89/385488389.db2.gz DWXAKJFDWRKCCU-LLVKDONJSA-N 1 0 236.340 1.008 10 0 BDAERO Cc1ccccc1OCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000644109283 385484762 /nfs/dbraw/zinc/48/47/62/385484762.db2.gz NJPYHOBLNCOJPU-LBPRGKRZSA-N 1 0 248.326 1.100 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CCCC(C)(C)C)C1 ZINC000309243209 385498788 /nfs/dbraw/zinc/49/87/88/385498788.db2.gz BGOIZBOPQPLVAW-NEPJUHHUSA-N 1 0 229.364 1.894 10 0 BDAERO CC(C)CCOCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111272120 385499059 /nfs/dbraw/zinc/49/90/59/385499059.db2.gz QHKIWUDTRRUDBA-NEPJUHHUSA-N 1 0 242.363 1.021 10 0 BDAERO CC(C)OC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183124882 385510167 /nfs/dbraw/zinc/51/01/67/385510167.db2.gz SDUXXKWWFZCHAG-QWRGUYRKSA-N 1 0 229.320 1.485 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)c2nccn2C)c1 ZINC000183148965 385510522 /nfs/dbraw/zinc/51/05/22/385510522.db2.gz GZTPXWOUTORJQU-LLVKDONJSA-N 1 0 233.319 1.276 10 0 BDAERO COC1(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)CCCC1 ZINC000319036751 385539599 /nfs/dbraw/zinc/53/95/99/385539599.db2.gz KNYPIOMKSPEOPW-MNOVXSKESA-N 1 0 212.337 1.225 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000282194336 385520424 /nfs/dbraw/zinc/52/04/24/385520424.db2.gz CFDFJWHRANBIMN-BZDIYLISSA-N 1 0 244.338 1.957 10 0 BDAERO CC(C)(C)OC(=O)N1CCCOC[C@@H]1CC[NH3+] ZINC000257982899 385523070 /nfs/dbraw/zinc/52/30/70/385523070.db2.gz JYIUISWUSLFXLF-JTQLQIEISA-N 1 0 244.335 1.361 10 0 BDAERO CSCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000172103116 385550264 /nfs/dbraw/zinc/55/02/64/385550264.db2.gz ZSLTXEMBRDSCPN-SNVBAGLBSA-N 1 0 225.361 1.572 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1nc(C2CC2)cs1 ZINC000054076618 385594347 /nfs/dbraw/zinc/59/43/47/385594347.db2.gz UINNFHCVTCTKKF-ZCFIWIBFSA-N 1 0 225.317 1.567 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000054076890 385594697 /nfs/dbraw/zinc/59/46/97/385594697.db2.gz YARAQTSFGUQWCD-SNVBAGLBSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@H]([NH2+]CC(=O)N(C)C)C1C(C)(C)C1(C)C ZINC000309469563 385598917 /nfs/dbraw/zinc/59/89/17/385598917.db2.gz QTEWDHKPXBIUPE-VIFPVBQESA-N 1 0 226.364 1.735 10 0 BDAERO C[NH2+][C@@H](c1cccs1)c1nccn1C ZINC000037184173 385601370 /nfs/dbraw/zinc/60/13/70/385601370.db2.gz ZRBHBPKWATVFEF-VIFPVBQESA-N 1 0 207.302 1.790 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1CCCO1 ZINC000309474757 385604123 /nfs/dbraw/zinc/60/41/23/385604123.db2.gz UWFVDHPJLVESBC-ZDEQEGDKSA-N 1 0 227.348 1.695 10 0 BDAERO Cn1cc([C@H]2CCC[N@@H+]2CC2(O)CCCC2)cn1 ZINC000336613352 385586603 /nfs/dbraw/zinc/58/66/03/385586603.db2.gz LCBNKIWSGQQGGV-CYBMUJFWSA-N 1 0 249.358 1.862 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)[C@H]1CCCO1 ZINC000309446936 385586934 /nfs/dbraw/zinc/58/69/34/385586934.db2.gz PGIFTYGOMDDROI-UMSGYPCISA-N 1 0 227.348 1.695 10 0 BDAERO C[C@H](CC(N)=O)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000309454023 385592572 /nfs/dbraw/zinc/59/25/72/385592572.db2.gz NENAEOILSIPVCG-OPRDCNLKSA-N 1 0 228.336 1.044 10 0 BDAERO CSCC(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000309492395 385621381 /nfs/dbraw/zinc/62/13/81/385621381.db2.gz SNKYNESDNNHFRT-KOLCDFICSA-N 1 0 228.361 1.079 10 0 BDAERO Cc1nscc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000181930095 385622022 /nfs/dbraw/zinc/62/20/22/385622022.db2.gz NFSIPQOTBDDGCX-SECBINFHSA-N 1 0 239.344 1.228 10 0 BDAERO Cc1nc(Cc2nc(C[NH3+])c[nH]2)cs1 ZINC000062820838 385634882 /nfs/dbraw/zinc/63/48/82/385634882.db2.gz SGZPQMSQIORSFS-UHFFFAOYSA-N 1 0 208.290 1.224 10 0 BDAERO C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)C(C)(C)C ZINC000309510171 385644791 /nfs/dbraw/zinc/64/47/91/385644791.db2.gz OYRMQKDDFJAPPU-GZMMTYOYSA-N 1 0 216.300 1.239 10 0 BDAERO CCc1nsc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000307259233 385654010 /nfs/dbraw/zinc/65/40/10/385654010.db2.gz QYYKZYJVGPZBEF-RNFRBKRXSA-N 1 0 212.322 1.026 10 0 BDAERO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(N)=[NH2+] ZINC000058672868 385655287 /nfs/dbraw/zinc/65/52/87/385655287.db2.gz UVMZGLUHVAHNHH-SSDOTTSWSA-N 1 0 215.297 1.472 10 0 BDAERO CCCC(CCC)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000336692015 385732433 /nfs/dbraw/zinc/73/24/33/385732433.db2.gz XFCDSVAMGWKRQU-CMPLNLGQSA-N 1 0 214.353 1.125 10 0 BDAERO CC1CC(C(=O)N(C)[C@@H](C[NH3+])C2CC2)C1 ZINC000521424344 385806039 /nfs/dbraw/zinc/80/60/39/385806039.db2.gz RDGUKXDEYGPPDK-RFBVYIQQSA-N 1 0 210.321 1.228 10 0 BDAERO Cc1c(C[NH2+]CCOCC(F)F)cnn1C ZINC000231677434 385812180 /nfs/dbraw/zinc/81/21/80/385812180.db2.gz SGDUYDOWHIWGJS-UHFFFAOYSA-N 1 0 233.262 1.100 10 0 BDAERO COc1cccc(C[C@H]2[NH2+]C[C@H]3C[C@H]32)c1 ZINC000396763391 385835922 /nfs/dbraw/zinc/83/59/22/385835922.db2.gz NHZZZASOMXNQDG-RAIGVLPGSA-N 1 0 203.285 1.846 10 0 BDAERO CSC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000308300449 385839914 /nfs/dbraw/zinc/83/99/14/385839914.db2.gz KCNFNMPZFGLOHV-BBBLOLIVSA-N 1 0 201.335 1.195 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1ccc(C)cc1 ZINC000215988908 385855088 /nfs/dbraw/zinc/85/50/88/385855088.db2.gz ROFCTNBPHUFVEO-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000215984256 385855493 /nfs/dbraw/zinc/85/54/93/385855493.db2.gz LLIYMOXBVQPEIR-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO C[C@H]1CC[C@H](NC2=[NH+]CCS2)CS1 ZINC000575535110 385902223 /nfs/dbraw/zinc/90/22/23/385902223.db2.gz RSUBVTBMPBERRD-YUMQZZPRSA-N 1 0 216.375 1.963 10 0 BDAERO FC(F)(F)[C@@H]1CCN([C@@H]2CC[NH2+]C2)C1 ZINC000307128340 385929389 /nfs/dbraw/zinc/92/93/89/385929389.db2.gz DYFHFDSXOGEIAL-HTQZYQBOSA-N 1 0 208.227 1.233 10 0 BDAERO COc1ccc(C[C@@H]2COCC[NH2+]2)cc1 ZINC000071510294 385915084 /nfs/dbraw/zinc/91/50/84/385915084.db2.gz GUEULQXXZJJPGH-LLVKDONJSA-N 1 0 207.273 1.226 10 0 BDAERO c1cnc(N2CCCC2)c(O[C@H]2CC[NH2+]C2)c1 ZINC000216638617 385869707 /nfs/dbraw/zinc/86/97/07/385869707.db2.gz JJXSETYGAHGFNR-NSHDSACASA-N 1 0 233.315 1.423 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)[C@H](O)C(F)(F)F ZINC000336747735 385980760 /nfs/dbraw/zinc/98/07/60/385980760.db2.gz XMXWOALRUDXTAP-MAUMQABQSA-N 1 0 241.253 1.455 10 0 BDAERO CC[C@H](COC)[NH2+]C[C@H]1CC12CCOCC2 ZINC000336748902 385988443 /nfs/dbraw/zinc/98/84/43/385988443.db2.gz YIKRJJWGUPDFHM-VXGBXAGGSA-N 1 0 227.348 1.818 10 0 BDAERO CC(C)([NH3+])c1cn(CC2(C)CCC2)nn1 ZINC000309001702 385934736 /nfs/dbraw/zinc/93/47/36/385934736.db2.gz RXTGQJQOMQYMCW-UHFFFAOYSA-N 1 0 208.309 1.662 10 0 BDAERO CCc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)nc(C)n1 ZINC000272811168 385938053 /nfs/dbraw/zinc/93/80/53/385938053.db2.gz CKWHEHOIPOYYEE-MFKMUULPSA-N 1 0 248.374 1.734 10 0 BDAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000128521099 385993296 /nfs/dbraw/zinc/99/32/96/385993296.db2.gz GEVPNUKGZKJCGS-CHWSQXEVSA-N 1 0 248.301 1.681 10 0 BDAERO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)[C@H]1C[C@H]1C ZINC000414106413 385967909 /nfs/dbraw/zinc/96/79/09/385967909.db2.gz QVMLFZQJFLOEPF-BGZDPUMWSA-N 1 0 225.254 1.934 10 0 BDAERO Cc1cccnc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638893637 386008726 /nfs/dbraw/zinc/00/87/26/386008726.db2.gz LZZACHMKUWBCIT-QWRGUYRKSA-N 1 0 233.315 1.057 10 0 BDAERO c1ccc([C@@H]2COC3(CC[NH2+]CC3)O2)cc1 ZINC000019730574 385996088 /nfs/dbraw/zinc/99/60/88/385996088.db2.gz FPQJPXVBJUYYBO-LBPRGKRZSA-N 1 0 219.284 1.854 10 0 BDAERO C[NH2+][C@@](C)(CO)c1ccc(F)cc1F ZINC000038121033 386123501 /nfs/dbraw/zinc/12/35/01/386123501.db2.gz RTLBWAZQVGCLEK-JTQLQIEISA-N 1 0 201.216 1.392 10 0 BDAERO CC[C@H](NC(=O)COC1CC[NH2+]CC1)C(C)C ZINC000111758288 386105399 /nfs/dbraw/zinc/10/53/99/386105399.db2.gz DZWQFNZQUSYLTP-LBPRGKRZSA-N 1 0 242.363 1.306 10 0 BDAERO CO[C@@H]1C[NH2+]CC[C@@H]1Cc1ccncc1 ZINC000222941461 386069661 /nfs/dbraw/zinc/06/96/61/386069661.db2.gz PTPZLASYQPKBOW-VXGBXAGGSA-N 1 0 206.289 1.249 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000223153482 386077744 /nfs/dbraw/zinc/07/77/44/386077744.db2.gz XEPSOBWIDVWUPA-VXGBXAGGSA-N 1 0 223.320 1.349 10 0 BDAERO Cc1cnccc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000643295751 386149394 /nfs/dbraw/zinc/14/93/94/386149394.db2.gz ONGPZLILSDMQPJ-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)NC ZINC000336730159 386176760 /nfs/dbraw/zinc/17/67/60/386176760.db2.gz IGAVQAZRCRIMHB-MNOVXSKESA-N 1 0 248.392 1.094 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@H](CO)C(C)(C)C ZINC000647969465 386188507 /nfs/dbraw/zinc/18/85/07/386188507.db2.gz ZQWQVWNSWHNPGC-JHJVBQTASA-N 1 0 243.391 1.876 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)COC ZINC000026513588 386129311 /nfs/dbraw/zinc/12/93/11/386129311.db2.gz PPMLWBXRWMMXBC-UWVGGRQHSA-N 1 0 230.352 1.304 10 0 BDAERO O=C(c1ccncc1F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000226225665 386239588 /nfs/dbraw/zinc/23/95/88/386239588.db2.gz JEXNESIHYSPMFH-JTQLQIEISA-N 1 0 249.289 1.141 10 0 BDAERO Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)nc1 ZINC000425526271 386312201 /nfs/dbraw/zinc/31/22/01/386312201.db2.gz JNBDKPJTHAVQPV-AVGNSLFASA-N 1 0 247.342 1.378 10 0 BDAERO Cc1n[nH]cc1CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000289504590 386318791 /nfs/dbraw/zinc/31/87/91/386318791.db2.gz TZVHULGKIQESBR-SKDRFNHKSA-N 1 0 222.336 1.100 10 0 BDAERO C[C@@H](CF)Nc1c(N)c[nH+]cc1Cl ZINC000575584080 386272613 /nfs/dbraw/zinc/27/26/13/386272613.db2.gz SFEAJAHPLJWOKB-YFKPBYRVSA-N 1 0 203.648 1.509 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC(=O)N(C)C1 ZINC000336723120 386274372 /nfs/dbraw/zinc/27/43/72/386274372.db2.gz DTWOSMPIQNWGKD-WOPDTQHZSA-N 1 0 224.348 1.776 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCC1(C)C ZINC000575591608 386339688 /nfs/dbraw/zinc/33/96/88/386339688.db2.gz PWOXKGMNCTVYAU-DTWKUNHWSA-N 1 0 200.351 1.174 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1[C@@H]1CCSC1 ZINC000063166726 386329079 /nfs/dbraw/zinc/32/90/79/386329079.db2.gz CHEOXOMGKHTHHS-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO CS[C@H]1C[NH2+]C[C@H]1N1CCC1(C)C ZINC000575591607 386337946 /nfs/dbraw/zinc/33/79/46/386337946.db2.gz PWOXKGMNCTVYAU-BDAKNGLRSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1ccccc1[C@@]1(O)C[N@@H+](C)C[C@@H]1C ZINC000521400951 386449270 /nfs/dbraw/zinc/44/92/70/386449270.db2.gz DCXUMIQCJHKEAO-WCQYABFASA-N 1 0 205.301 1.764 10 0 BDAERO Cc1cc(C[N@@H+]2CCC[C@@H]2CCCO)nn1C ZINC000336700237 386388065 /nfs/dbraw/zinc/38/80/65/386388065.db2.gz LCPXUIWIJMUKEG-CYBMUJFWSA-N 1 0 237.347 1.465 10 0 BDAERO CCO[C@@H]1C[C@H]1C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000262596731 386411375 /nfs/dbraw/zinc/41/13/75/386411375.db2.gz VHHCXYHLIUEAMZ-WZRBSPASSA-N 1 0 242.363 1.291 10 0 BDAERO COC(C)(C)CC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399165330 386430346 /nfs/dbraw/zinc/43/03/46/386430346.db2.gz LXPKGYCVLAREFD-WDEREUQCSA-N 1 0 215.337 1.647 10 0 BDAERO CCOCCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399267251 386473215 /nfs/dbraw/zinc/47/32/15/386473215.db2.gz SEQWQZJGAPJBJF-WDEREUQCSA-N 1 0 201.310 1.258 10 0 BDAERO CCC[C@H]1C[C@H]1[NH2+]C1CCN(C(C)=O)CC1 ZINC000165056062 386490304 /nfs/dbraw/zinc/49/03/04/386490304.db2.gz GXVAVKVGRMGFHO-WCQYABFASA-N 1 0 224.348 1.776 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000062112055 386498761 /nfs/dbraw/zinc/49/87/61/386498761.db2.gz JSVFWDBEYTVQER-JQWIXIFHSA-N 1 0 218.300 1.473 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCC1(O)CCC1 ZINC000399317638 386499609 /nfs/dbraw/zinc/49/96/09/386499609.db2.gz GOUOUFQQKPJVAP-WDEREUQCSA-N 1 0 213.321 1.137 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccncc1 ZINC000399201968 386454670 /nfs/dbraw/zinc/45/46/70/386454670.db2.gz AFVZBDQTGNXPLS-JQWIXIFHSA-N 1 0 206.289 1.427 10 0 BDAERO [NH3+]C1(c2ncc[nH]2)CCC(F)(F)CC1 ZINC000521401715 386463659 /nfs/dbraw/zinc/46/36/59/386463659.db2.gz NHEKANUQLGUKSM-UHFFFAOYSA-N 1 0 201.220 1.773 10 0 BDAERO C[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1ccccc1 ZINC000238855027 386536691 /nfs/dbraw/zinc/53/66/91/386536691.db2.gz QEZGAANBMURYQX-KWCYVHTRSA-N 1 0 216.328 1.869 10 0 BDAERO Cc1cnccc1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136207518 386571975 /nfs/dbraw/zinc/57/19/75/386571975.db2.gz QZCCUEKGJKGBEP-CYBMUJFWSA-N 1 0 233.315 1.861 10 0 BDAERO Cc1nc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c(C)s1 ZINC000335507240 386638479 /nfs/dbraw/zinc/63/84/79/386638479.db2.gz LUHPIMUQHZBUIZ-HZGVNTEJSA-N 1 0 239.344 1.322 10 0 BDAERO COc1cc(C[NH3+])c(Br)cn1 ZINC000214938973 386599661 /nfs/dbraw/zinc/59/96/61/386599661.db2.gz NCRKYUBAAWUMOT-UHFFFAOYSA-N 1 0 217.066 1.311 10 0 BDAERO CCC[C@H](C(=O)NC1CCSCC1)[NH+](C)C ZINC000179147436 386614497 /nfs/dbraw/zinc/61/44/97/386614497.db2.gz PAMIELVYRQCOJL-LLVKDONJSA-N 1 0 244.404 1.729 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCC1 ZINC000648088641 386679915 /nfs/dbraw/zinc/67/99/15/386679915.db2.gz WMFPVUXOGHWDME-CMPLNLGQSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1nn(C)c(C)c1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000520565641 386695783 /nfs/dbraw/zinc/69/57/83/386695783.db2.gz RDGZWUMLCNSAEA-JOYOIKCWSA-N 1 0 236.363 1.837 10 0 BDAERO CC1(C)C[N@@H+]([C@H]2CCCC2=O)CC[C@H]1O ZINC000307506191 386697966 /nfs/dbraw/zinc/69/79/66/386697966.db2.gz LNVOSYBIWYLTEP-GXSJLCMTSA-N 1 0 211.305 1.201 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]1C ZINC000321134795 386701915 /nfs/dbraw/zinc/70/19/15/386701915.db2.gz UIYBNOWVNJJAHS-RHYQMDGZSA-N 1 0 245.388 1.445 10 0 BDAERO N[C@H](C[NH3+])c1cc(F)cc(Br)c1 ZINC000044471274 386778189 /nfs/dbraw/zinc/77/81/89/386778189.db2.gz SRWAUGRZCSZKCN-MRVPVSSYSA-N 1 0 233.084 1.547 10 0 BDAERO C[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000248650878 386781314 /nfs/dbraw/zinc/78/13/14/386781314.db2.gz MNNACWYOOPBZJG-NWANDNLSSA-N 1 0 249.354 1.955 10 0 BDAERO C[C@@H](NC[C@H](C)C[NH+](C)C)c1cncs1 ZINC000293338583 386816680 /nfs/dbraw/zinc/81/66/80/386816680.db2.gz GLHPESFARXANIO-VHSXEESVSA-N 1 0 227.377 1.991 10 0 BDAERO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000395315431 386811758 /nfs/dbraw/zinc/81/17/58/386811758.db2.gz YGMVZLJLAYSEIC-DBIOUOCHSA-N 1 0 210.321 1.147 10 0 BDAERO C[C@H](O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 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ZINC000119422116 387131873 /nfs/dbraw/zinc/13/18/73/387131873.db2.gz OGCWZSOSNZZEQQ-BNOWGMLFSA-N 1 0 249.358 1.513 10 0 BDAERO CO[C@]1(C)CCC[N@H+](CC2(O)CCC2)C1 ZINC000335024298 387114992 /nfs/dbraw/zinc/11/49/92/387114992.db2.gz IKWNGDGAFWQMTA-LLVKDONJSA-N 1 0 213.321 1.402 10 0 BDAERO CCOC(=O)C[C@@H]([NH3+])c1cc(O)cc(O)c1 ZINC000575439157 387120877 /nfs/dbraw/zinc/12/08/77/387120877.db2.gz VEIGDIQTXUZAKL-SNVBAGLBSA-N 1 0 225.244 1.051 10 0 BDAERO CC1(C)[C@H]([NH2+]Cc2cc[nH]c2)[C@@H]2CCO[C@H]21 ZINC000228879754 387124775 /nfs/dbraw/zinc/12/47/75/387124775.db2.gz IMBXMPJLCJAKON-QJPTWQEYSA-N 1 0 220.316 1.918 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000119427253 387132463 /nfs/dbraw/zinc/13/24/63/387132463.db2.gz WECMQBFORVGJQW-OLZOCXBDSA-N 1 0 226.364 1.318 10 0 BDAERO CCCNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057791029 387145999 /nfs/dbraw/zinc/14/59/99/387145999.db2.gz HCDUEOOTHJJHFM-SNVBAGLBSA-N 1 0 213.325 1.180 10 0 BDAERO CC(C)[C@H]1[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C 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ZINC000230202694 387248554 /nfs/dbraw/zinc/24/85/54/387248554.db2.gz AKZOADIKCSHSAE-GXTWGEPZSA-N 1 0 233.311 1.447 10 0 BDAERO C/C(=C\Cl)CN1C[C@H]([NH3+])CC[C@@H]1C ZINC000575484523 387200166 /nfs/dbraw/zinc/20/01/66/387200166.db2.gz YQUTWMCKWNAYNY-AIYFBYTFSA-N 1 0 202.729 1.941 10 0 BDAERO C[C@H]1C[C@@H](c2cc(Br)nn2C)C[NH2+]1 ZINC000575502102 387355375 /nfs/dbraw/zinc/35/53/75/387355375.db2.gz NBDMKJFYJMDHIO-NKWVEPMBSA-N 1 0 244.136 1.648 10 0 BDAERO Cn1nc(Br)cc1[C@@H]1CC[NH2+]1 ZINC000575502630 387355796 /nfs/dbraw/zinc/35/57/96/387355796.db2.gz SUYAELXOHVKAEY-YFKPBYRVSA-N 1 0 216.082 1.217 10 0 BDAERO C[C@H]1CN[C@]2(CC[NH2+]C(C)(C)C2)S1 ZINC000575512285 387384069 /nfs/dbraw/zinc/38/40/69/387384069.db2.gz MAEQFNWOKWLNSB-WCBMZHEXSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]1CCS[C@]2(CC[NH2+][C@H](C)C2)N1 ZINC000575512944 387385019 /nfs/dbraw/zinc/38/50/19/387385019.db2.gz VWDIYHPDRIHIQS-BBBLOLIVSA-N 1 0 200.351 1.570 10 0 BDAERO O[C@@H](C1CCCC1)[C@H]1CSCC[NH2+]1 ZINC000575505831 387373717 /nfs/dbraw/zinc/37/37/17/387373717.db2.gz UYAUQGAWYHRFML-ZJUUUORDSA-N 1 0 201.335 1.243 10 0 BDAERO CSCCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401964707 387375917 /nfs/dbraw/zinc/37/59/17/387375917.db2.gz SBXMSHFZCXETFQ-ZJUUUORDSA-N 1 0 203.351 1.442 10 0 BDAERO Cc1cnn(C)c1C[NH2+]C[C@H](O)C(C)(C)C ZINC000286750446 387338731 /nfs/dbraw/zinc/33/87/31/387338731.db2.gz YRHPMOIYYHNWSR-NSHDSACASA-N 1 0 225.336 1.225 10 0 BDAERO CCC[C@@H](C(=O)NCC(O)(CC)CC)[NH+](C)C ZINC000162314256 387339109 /nfs/dbraw/zinc/33/91/09/387339109.db2.gz JTPXTFSRMCBYOX-NSHDSACASA-N 1 0 244.379 1.384 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2c(C)cnn2C)c1 ZINC000286716148 387339707 /nfs/dbraw/zinc/33/97/07/387339707.db2.gz WYXSQWFXEXGLMG-UHFFFAOYSA-N 1 0 233.319 1.023 10 0 BDAERO c1cn2c(n1)C[C@@H](C[NH2+]CC1CC1)CC2 ZINC000368435563 387352354 /nfs/dbraw/zinc/35/23/54/387352354.db2.gz SVDORALRAGPXFV-NSHDSACASA-N 1 0 205.305 1.445 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC=O ZINC000306573052 387426172 /nfs/dbraw/zinc/42/61/72/387426172.db2.gz HYJPZHLTQNWGGV-OCCSQVGLSA-N 1 0 232.327 1.643 10 0 BDAERO CCC(=O)C[N@@H+]1CCSCC[C@H]1C ZINC000306572149 387428555 /nfs/dbraw/zinc/42/85/55/387428555.db2.gz HMNLMNWBWRSJPT-SECBINFHSA-N 1 0 201.335 1.793 10 0 BDAERO CCOc1cc(OC)c(OCC)cc1C[NH3+] ZINC000575720874 387442701 /nfs/dbraw/zinc/44/27/01/387442701.db2.gz BUNIHJPZDOLCSU-UHFFFAOYSA-N 1 0 225.288 1.951 10 0 BDAERO CCOc1ccc(C[NH3+])c(OCC)c1OC ZINC000575721666 387444584 /nfs/dbraw/zinc/44/45/84/387444584.db2.gz QEHDGOOBYQWBFX-UHFFFAOYSA-N 1 0 225.288 1.951 10 0 BDAERO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1(C)C ZINC000304244962 387452790 /nfs/dbraw/zinc/45/27/90/387452790.db2.gz OXCFYWSNJRXYNP-GMTAPVOTSA-N 1 0 229.364 1.797 10 0 BDAERO C[C@@H]1CC[C@@H](N2CC[C@H]2C[NH3+])CS1 ZINC000575514060 387388238 /nfs/dbraw/zinc/38/82/38/387388238.db2.gz IQXHJDBYPGVOKN-KXUCPTDWSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@H](Oc1ccccc1)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423638300 387391511 /nfs/dbraw/zinc/39/15/11/387391511.db2.gz IMAWLBMJBHEZPV-MDZLAQPJSA-N 1 0 248.326 1.402 10 0 BDAERO Cc1ccc2onc(CN3CC[NH2+]CC3)c2c1 ZINC000083073782 387399026 /nfs/dbraw/zinc/39/90/26/387399026.db2.gz QHDRXPSRMVXVJD-UHFFFAOYSA-N 1 0 231.299 1.541 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@H]1C(=O)NCc1ccccc1 ZINC000306268306 387404838 /nfs/dbraw/zinc/40/48/38/387404838.db2.gz JUOFOYNADHDLQS-YPMHNXCESA-N 1 0 232.327 1.548 10 0 BDAERO CS(=O)(=O)CCC1([NH3+])CCCCC1 ZINC000053753076 387493872 /nfs/dbraw/zinc/49/38/72/387493872.db2.gz CLZAYQAFRPGDKQ-UHFFFAOYSA-N 1 0 205.323 1.083 10 0 BDAERO CCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884576 387523755 /nfs/dbraw/zinc/52/37/55/387523755.db2.gz ZKCQBRFNOHKQBY-LBPRGKRZSA-N 1 0 222.336 1.790 10 0 BDAERO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nn1 ZINC000396705291 387483121 /nfs/dbraw/zinc/48/31/21/387483121.db2.gz IYCMIGYXRBUMGO-JSGCOSHPSA-N 1 0 246.358 1.454 10 0 BDAERO FC(F)(F)c1cccnc1NC1C[NH2+]C1 ZINC000085256589 387483958 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Cc1nocc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000293583231 388390790 /nfs/dbraw/zinc/39/07/90/388390790.db2.gz NVPGKAKFDDEFFR-MWLCHTKSSA-N 1 0 210.277 1.234 10 0 BDAERO Cc1ccc(C)c(OC[C@@H](O)C[NH3+])c1C ZINC000008028876 388400431 /nfs/dbraw/zinc/40/04/31/388400431.db2.gz UCSJASWPDHJYOY-NSHDSACASA-N 1 0 209.289 1.310 10 0 BDAERO CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000238124285 388400398 /nfs/dbraw/zinc/40/03/98/388400398.db2.gz FCAOVPHRUHBHBZ-ILWJIGKKSA-N 1 0 210.321 1.513 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C(C)(C)CN1CCCC1 ZINC000308638600 388445906 /nfs/dbraw/zinc/44/59/06/388445906.db2.gz XQYWZEZDUYWVAT-GFCCVEGCSA-N 1 0 242.407 1.857 10 0 BDAERO Clc1cnccc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335309346 388450229 /nfs/dbraw/zinc/45/02/29/388450229.db2.gz WTUJSKCKSMQCLO-KCJUWKMLSA-N 1 0 223.707 1.533 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCN1CCCCC1 ZINC000335596249 388452102 /nfs/dbraw/zinc/45/21/02/388452102.db2.gz GOBDXFPUJFQMRP-OLZOCXBDSA-N 1 0 226.364 1.318 10 0 BDAERO Cc1cnccc1CC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000397524389 388476172 /nfs/dbraw/zinc/47/61/72/388476172.db2.gz MNTJQNDGJJCCOR-AAEUAGOBSA-N 1 0 247.342 1.189 10 0 BDAERO CC[C@@H]([NH3+])CN(C)CCc1ccncc1 ZINC000039783778 388410727 /nfs/dbraw/zinc/41/07/27/388410727.db2.gz QASIPMMEWRXHPG-GFCCVEGCSA-N 1 0 207.321 1.293 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000296218289 388419053 /nfs/dbraw/zinc/41/90/53/388419053.db2.gz MRRJAXHNBSGICP-IACUBPJLSA-N 1 0 235.327 1.565 10 0 BDAERO c1nc2n(n1)C[C@@H]([NH2+]CC1CCCCC1)CC2 ZINC000069621826 388421817 /nfs/dbraw/zinc/42/18/17/388421817.db2.gz JRVDUOFYEUNEGB-LBPRGKRZSA-N 1 0 234.347 1.763 10 0 BDAERO CCc1cccc(-n2nncc2C[NH3+])c1 ZINC000070460931 388436246 /nfs/dbraw/zinc/43/62/46/388436246.db2.gz HZQGCNRZDBTOHY-UHFFFAOYSA-N 1 0 202.261 1.288 10 0 BDAERO [NH3+]C[C@]1(CO)C[C@H]1c1ccc(Br)o1 ZINC000070500235 388437203 /nfs/dbraw/zinc/43/72/03/388437203.db2.gz YPPMIQGCLWCOGQ-RCOVLWMOSA-N 1 0 246.104 1.467 10 0 BDAERO [NH3+]Cc1cnnn1-c1ccc(F)c(F)c1 ZINC000070460939 388437352 /nfs/dbraw/zinc/43/73/52/388437352.db2.gz WOFWQUCQWDUYBP-UHFFFAOYSA-N 1 0 210.187 1.004 10 0 BDAERO [NH3+][C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000070460197 388437461 /nfs/dbraw/zinc/43/74/61/388437461.db2.gz ZOEMEIKMWNHCMJ-NSHDSACASA-N 1 0 246.289 1.753 10 0 BDAERO C[C@@H]1C[C@H](CN2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000352722708 388539128 /nfs/dbraw/zinc/53/91/28/388539128.db2.gz VZFXIEQOPMNQEO-MCIONIFRSA-N 1 0 238.375 1.582 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCC(CCOC)CC1 ZINC000528577816 388548217 /nfs/dbraw/zinc/54/82/17/388548217.db2.gz RFBHOTTYFKHVQS-CYBMUJFWSA-N 1 0 229.364 1.896 10 0 BDAERO CC(C)C1([NH2+][C@@H](C)CN2CCOCC2)CC1 ZINC000339505313 388484249 /nfs/dbraw/zinc/48/42/49/388484249.db2.gz SQYVBNLRYGDPPJ-LBPRGKRZSA-N 1 0 226.364 1.485 10 0 BDAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)COC ZINC000034938802 388493407 /nfs/dbraw/zinc/49/34/07/388493407.db2.gz BMAAABZZMAYNDY-DCAQKATOSA-N 1 0 230.352 1.304 10 0 BDAERO Cc1nocc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000378751550 388495715 /nfs/dbraw/zinc/49/57/15/388495715.db2.gz OZSVDJPADMRGQM-MNOVXSKESA-N 1 0 210.277 1.376 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCC(C)(C)C)C1 ZINC000343987156 388505065 /nfs/dbraw/zinc/50/50/65/388505065.db2.gz SCOJSMJAJVKLCB-GHMZBOCLSA-N 1 0 215.337 1.504 10 0 BDAERO CCC1(C[NH2+]CC(F)(F)CN)CCOCC1 ZINC000261576077 135217705 /nfs/dbraw/zinc/21/77/05/135217705.db2.gz KDWSTKSGMAHBBC-UHFFFAOYSA-N 1 0 236.306 1.377 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)c2nccn21 ZINC000379165307 388592598 /nfs/dbraw/zinc/59/25/98/388592598.db2.gz NJMIETIERAXPCU-SFXRXQKFSA-N 1 0 221.304 1.249 10 0 BDAERO C[C@H](CCC1CC1)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000186225990 388597772 /nfs/dbraw/zinc/59/77/72/388597772.db2.gz ZCKYZEBHQURCJE-CHWSQXEVSA-N 1 0 240.391 1.875 10 0 BDAERO CCn1nccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245702649 388599692 /nfs/dbraw/zinc/59/96/92/388599692.db2.gz DJLGCHJLAPVKNN-LBPRGKRZSA-N 1 0 234.347 1.183 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000379291031 388605855 /nfs/dbraw/zinc/60/58/55/388605855.db2.gz JWVUDTRDXLWWSK-AGIUHOORSA-N 1 0 226.364 1.628 10 0 BDAERO CCC[C@H](C)[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000187680249 388610055 /nfs/dbraw/zinc/61/00/55/388610055.db2.gz ZGDIFIOYAJERFY-BFHYXJOUSA-N 1 0 242.407 1.952 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)[C@@H]1CCCO1 ZINC000367616123 388566129 /nfs/dbraw/zinc/56/61/29/388566129.db2.gz LAPXJIXFTSCDKD-GAFUQQFSSA-N 1 0 235.331 1.944 10 0 BDAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000528760054 388568563 /nfs/dbraw/zinc/56/85/63/388568563.db2.gz QSQXGHPSGJMFJH-RRZJSNMYSA-N 1 0 213.321 1.301 10 0 BDAERO CN(C)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cn1 ZINC000037020070 388581279 /nfs/dbraw/zinc/58/12/79/388581279.db2.gz ONGMNFBSGPVPBC-JTQLQIEISA-N 1 0 248.330 1.086 10 0 BDAERO C[C@]([NH3+])(CO)c1cc(Br)ccc1F ZINC000077419420 388582585 /nfs/dbraw/zinc/58/25/85/388582585.db2.gz HGJUZIPMXALMKU-VIFPVBQESA-N 1 0 248.095 1.754 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H]1CCCCO1 ZINC000245475465 388583330 /nfs/dbraw/zinc/58/33/30/388583330.db2.gz RXMSXAVPIHTJEN-UONOGXRCSA-N 1 0 240.391 1.972 10 0 BDAERO CCS(=O)(=O)c1ccc(N[C@H](C)C[NH3+])cc1 ZINC000082576409 388616901 /nfs/dbraw/zinc/61/69/01/388616901.db2.gz SPQCEJJWHOLLOC-SECBINFHSA-N 1 0 242.344 1.239 10 0 BDAERO CC[C@H](COC)[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000248216886 388675678 /nfs/dbraw/zinc/67/56/78/388675678.db2.gz ZUMZNERZAAGHTC-UPJWGTAASA-N 1 0 228.380 1.730 10 0 BDAERO CC1(C)CC(C[N@@H+]2CC[C@@H]3OCCN[C@H]3C2)C1 ZINC000530224072 388634575 /nfs/dbraw/zinc/63/45/75/388634575.db2.gz KVEXDCSCCCXDIW-STQMWFEESA-N 1 0 238.375 1.485 10 0 BDAERO CCN1CCC[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000248571901 388684690 /nfs/dbraw/zinc/68/46/90/388684690.db2.gz MQVGOUVMEXLWSO-RYUDHWBXSA-N 1 0 214.353 1.343 10 0 BDAERO CCOC[C@@H](C)[NH2+][C@@H]1CCN(CC)C1 ZINC000328459129 388643960 /nfs/dbraw/zinc/64/39/60/388643960.db2.gz GNSMTAFLVXGFIF-GHMZBOCLSA-N 1 0 200.326 1.095 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000249948775 388735074 /nfs/dbraw/zinc/73/50/74/388735074.db2.gz UWWVKMGBNIGHOC-NWDGAFQWSA-N 1 0 237.347 1.492 10 0 BDAERO Cc1cc(=O)n(C[C@H](C)[NH3+])c2ccccc12 ZINC000011849645 177720000 /nfs/dbraw/zinc/72/00/00/177720000.db2.gz YRVVXTYEXJQNJC-JTQLQIEISA-N 1 0 216.284 1.657 10 0 BDAERO Cc1nnc(C[C@]2(F)CC[NH2+]C2)s1 ZINC000575453297 388749110 /nfs/dbraw/zinc/74/91/10/388749110.db2.gz FARFXFXXWDSKCU-MRVPVSSYSA-N 1 0 201.270 1.091 10 0 BDAERO CCn1nccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000126694988 388699066 /nfs/dbraw/zinc/69/90/66/388699066.db2.gz PPUOAOXKDVIOQM-STQMWFEESA-N 1 0 248.374 1.572 10 0 BDAERO CN(C[C@@H]1C[C@@H](F)C[NH2+]1)C(=O)OC(C)(C)C ZINC000231795141 388699356 /nfs/dbraw/zinc/69/93/56/388699356.db2.gz ZOZVFOIWQOWAES-BDAKNGLRSA-N 1 0 232.299 1.553 10 0 BDAERO COC(=O)c1c(F)ccc2c1C[NH2+]CC2 ZINC000521398965 388704543 /nfs/dbraw/zinc/70/45/43/388704543.db2.gz AXXVEPGWWKFZDO-UHFFFAOYSA-N 1 0 209.220 1.258 10 0 BDAERO CC(C)OC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000127337797 388721196 /nfs/dbraw/zinc/72/11/96/388721196.db2.gz GEAIDXALYBFLKV-NSHDSACASA-N 1 0 228.336 1.853 10 0 BDAERO CC(C)OC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000127353964 388721198 /nfs/dbraw/zinc/72/11/98/388721198.db2.gz RNSRWLLVDYMPNJ-JTQLQIEISA-N 1 0 214.309 1.415 10 0 BDAERO NC(=S)[C@@H]1CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000575454381 388760913 /nfs/dbraw/zinc/76/09/13/388760913.db2.gz QQASTYGGPKKRSR-HTQZYQBOSA-N 1 0 216.375 1.100 10 0 BDAERO C[C@@H]1CC[C@@H](N)C[N@@H+]1C[Si](C)(C)C ZINC000575455488 388775462 /nfs/dbraw/zinc/77/54/62/388775462.db2.gz JPQCVHFKDRISPQ-NXEZZACHSA-N 1 0 200.402 1.675 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@H]2CCO[C@@H]21 ZINC000252744758 388779999 /nfs/dbraw/zinc/77/99/99/388779999.db2.gz TVXCGIPTSKSCQM-VEGXAWMVSA-N 1 0 239.359 1.693 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCC(OC)CC1 ZINC000229381200 388787128 /nfs/dbraw/zinc/78/71/28/388787128.db2.gz ROATWTXSTIOVSH-LLVKDONJSA-N 1 0 201.310 1.258 10 0 BDAERO NNC(=[NH2+])c1ccsc1Br ZINC000575456464 388787197 /nfs/dbraw/zinc/78/71/97/388787197.db2.gz WUXGCYSMUALMLV-UHFFFAOYSA-N 1 0 220.095 1.299 10 0 BDAERO CC[C@H](SC)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000129577514 388853826 /nfs/dbraw/zinc/85/38/26/388853826.db2.gz YDPPTPSMTPRTDS-ZJUUUORDSA-N 1 0 230.377 1.291 10 0 BDAERO Cc1c(C[NH2+]CCCCn2ccnc2)cnn1C ZINC000093650210 388846155 /nfs/dbraw/zinc/84/61/55/388846155.db2.gz ATWWUYOXMRYXSE-UHFFFAOYSA-N 1 0 247.346 1.495 10 0 BDAERO Cn1nc(Br)cc1C[C@@H]1CC[NH2+]C1 ZINC000575501592 388990454 /nfs/dbraw/zinc/99/04/54/388990454.db2.gz BKSOQBPFIYMXNA-ZETCQYMHSA-N 1 0 244.136 1.335 10 0 BDAERO C[C@@H]1C[C@]2(CC[NH2+]1)NCC[C@H](C)S2 ZINC000575512593 389011312 /nfs/dbraw/zinc/01/13/12/389011312.db2.gz RCFVRQYTEYCYGZ-KXUCPTDWSA-N 1 0 200.351 1.570 10 0 BDAERO C[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000051400199 132361080 /nfs/dbraw/zinc/36/10/80/132361080.db2.gz OLDVGYYDBYWAJV-JTQLQIEISA-N 1 0 221.304 1.026 10 0 BDAERO CC(C)C1([NH2+][C@H](C)CN2CCOCC2)CC1 ZINC000339505312 166754036 /nfs/dbraw/zinc/75/40/36/166754036.db2.gz SQYVBNLRYGDPPJ-GFCCVEGCSA-N 1 0 226.364 1.485 10 0 BDAERO CSCCCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000402086826 533533629 /nfs/dbraw/zinc/53/36/29/533533629.db2.gz PYDDIKPUMFUWKX-DTWKUNHWSA-N 1 0 216.350 1.078 10 0 BDAERO Fc1ccc(N2CC[NH2+]CC2)c2occc21 ZINC000013741472 132228230 /nfs/dbraw/zinc/22/82/30/132228230.db2.gz MODUIOBTCPFFSV-UHFFFAOYSA-N 1 0 220.247 1.982 10 0 BDAERO Cc1cc2c(N3CCC(C[NH3+])CC3)nccn2n1 ZINC000128950982 132232833 /nfs/dbraw/zinc/23/28/33/132232833.db2.gz VTSALIMTABGOKX-UHFFFAOYSA-N 1 0 245.330 1.213 10 0 BDAERO COc1cc(N2CCC[C@H](C)[C@H]2C[NH3+])ncn1 ZINC000090783663 132237037 /nfs/dbraw/zinc/23/70/37/132237037.db2.gz AYSRUEQRPYIBTL-VHSXEESVSA-N 1 0 236.319 1.049 10 0 BDAERO Cc1ncc(N2CCC([NH3+])CC2)nc1C ZINC000062202828 132239899 /nfs/dbraw/zinc/23/98/99/132239899.db2.gz JSIJZWYQUPKBDL-UHFFFAOYSA-N 1 0 206.293 1.021 10 0 BDAERO Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)ncn1 ZINC000301233648 132252327 /nfs/dbraw/zinc/25/23/27/132252327.db2.gz KPNSACMISYFQBK-LBPRGKRZSA-N 1 0 232.331 1.460 10 0 BDAERO C[C@@H]1CCCN(c2cc(C[NH3+])ccn2)C1 ZINC000022167833 132257400 /nfs/dbraw/zinc/25/74/00/132257400.db2.gz ULXBNFCPFXEDOW-SNVBAGLBSA-N 1 0 205.305 1.777 10 0 BDAERO CCc1cc(NN)[nH+]c(N2CCC(C)CC2)n1 ZINC000057331581 132301233 /nfs/dbraw/zinc/30/12/33/132301233.db2.gz HNBIQIRFMVTERQ-UHFFFAOYSA-N 1 0 235.335 1.561 10 0 BDAERO CN(C)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000082713136 132310534 /nfs/dbraw/zinc/31/05/34/132310534.db2.gz OSFBVZRYZATPII-UHFFFAOYSA-N 1 0 219.332 1.504 10 0 BDAERO [NH3+]CCCCN1c2ccccc2OCC1=O ZINC000011568790 132319724 /nfs/dbraw/zinc/31/97/24/132319724.db2.gz DFDPLBBNBHTBOO-UHFFFAOYSA-N 1 0 220.272 1.151 10 0 BDAERO Fc1cc(N2CC[NH2+]CC2)ccc1Cl ZINC000019045905 132324024 /nfs/dbraw/zinc/32/40/24/132324024.db2.gz NMNHXXZSHGPLEF-UHFFFAOYSA-N 1 0 214.671 1.889 10 0 BDAERO [NH3+]Cc1cccnc1N1CCCC[C@H]1CCO ZINC000019260753 132324390 /nfs/dbraw/zinc/32/43/90/132324390.db2.gz ZPIXFXLEKWAMJB-LBPRGKRZSA-N 1 0 235.331 1.282 10 0 BDAERO C[C@H]1CN(c2ncccc2C[NH3+])C[C@H](C)O1 ZINC000019260983 132324409 /nfs/dbraw/zinc/32/44/09/132324409.db2.gz XAAOPINJNIZSMO-UWVGGRQHSA-N 1 0 221.304 1.154 10 0 BDAERO C[C@H]1CCCN(c2cc(C(N)=[NH2+])ccn2)C1 ZINC000019486613 132325373 /nfs/dbraw/zinc/32/53/73/132325373.db2.gz SZZMKFWLISVPQV-VIFPVBQESA-N 1 0 218.304 1.602 10 0 BDAERO NC(=S)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019482166 132325527 /nfs/dbraw/zinc/32/55/27/132325527.db2.gz VKBDLGRJICWCJA-UHFFFAOYSA-N 1 0 235.356 1.095 10 0 BDAERO CC(=O)N1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000019872492 132328417 /nfs/dbraw/zinc/32/84/17/132328417.db2.gz GFUWKUPGGHQUGN-LLVKDONJSA-N 1 0 247.342 1.375 10 0 BDAERO [NH3+]Cc1ccccc1N1CCCC[C@@H]1CCO ZINC000020075679 132329375 /nfs/dbraw/zinc/32/93/75/132329375.db2.gz GANPQXRFEOQJEM-CYBMUJFWSA-N 1 0 234.343 1.887 10 0 BDAERO [NH3+]CCCCN1CC(=O)Nc2ccccc21 ZINC000020293549 132331167 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ZINC000310013270 397875271 /nfs/dbraw/zinc/87/52/71/397875271.db2.gz JQNUBFBUKKIYSY-WDEREUQCSA-N 1 0 222.336 1.874 10 0 BDAERO CC(C)c1noc([C@@]23CCC[C@@H]2C[NH2+]C3)n1 ZINC000170603914 397824802 /nfs/dbraw/zinc/82/48/02/397824802.db2.gz JEJITCQGLVZCHG-BXKDBHETSA-N 1 0 221.304 1.834 10 0 BDAERO C[C@@H](O)CCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000336722831 397915863 /nfs/dbraw/zinc/91/58/63/397915863.db2.gz TVTNNVULMUIRJV-DGCLKSJQSA-N 1 0 237.347 1.718 10 0 BDAERO Cc1ccc(CC2CC(C[NH3+])(CO)C2)cc1 ZINC000606302720 398001373 /nfs/dbraw/zinc/00/13/73/398001373.db2.gz SRMQKXMTWPTXDJ-UHFFFAOYSA-N 1 0 219.328 1.885 10 0 BDAERO CCOc1cncc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383429096 398009150 /nfs/dbraw/zinc/00/91/50/398009150.db2.gz HJHDJXSPBOXBAX-SSDOTTSWSA-N 1 0 246.261 1.270 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000054074728 398023107 /nfs/dbraw/zinc/02/31/07/398023107.db2.gz BWLLMEAPYHHSDJ-SECBINFHSA-N 1 0 240.734 1.906 10 0 BDAERO COCc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)o1 ZINC000382729654 397976159 /nfs/dbraw/zinc/97/61/59/397976159.db2.gz KACBCAHMTAVOGO-JOYOIKCWSA-N 1 0 224.304 1.348 10 0 BDAERO C[C@@](O)(C[NH3+])c1cccnc1Br ZINC000575519050 397976802 /nfs/dbraw/zinc/97/68/02/397976802.db2.gz YXIJTHDUPIPWBQ-MRVPVSSYSA-N 1 0 231.093 1.010 10 0 BDAERO CC(C)([NH3+])C[C@@H](F)c1cnc(N)s1 ZINC000307133033 397985484 /nfs/dbraw/zinc/98/54/84/397985484.db2.gz MFOCGIGGMFKONM-RXMQYKEDSA-N 1 0 203.286 1.863 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000161582920 398069105 /nfs/dbraw/zinc/06/91/05/398069105.db2.gz RWWQQYLTYPYOLY-QMMMGPOBSA-N 1 0 211.227 1.643 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCC1CC1 ZINC000384487825 398093525 /nfs/dbraw/zinc/09/35/25/398093525.db2.gz RUSCSLNGNYQYKC-CMPLNLGQSA-N 1 0 224.348 1.681 10 0 BDAERO Cn1cc[n+](-c2nc3ccccc3s2)c1 ZINC000584613852 398078158 /nfs/dbraw/zinc/07/81/58/398078158.db2.gz NKWUQRJZKSKCFH-UHFFFAOYSA-N 1 0 216.289 1.912 10 0 BDAERO C[NH2+][C@@H]1CS[C@H]2CCCC[C@H](O)[C@H]12 ZINC000584658756 398082473 /nfs/dbraw/zinc/08/24/73/398082473.db2.gz NZHCNWFWAOLQFU-KATARQTJSA-N 1 0 201.335 1.241 10 0 BDAERO O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638455937 398090753 /nfs/dbraw/zinc/09/07/53/398090753.db2.gz YCVOGJMUVUDIQX-LDMBFOFVSA-N 1 0 240.322 1.239 10 0 BDAERO C[NH+](C)C[C@@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC000116795783 398091021 /nfs/dbraw/zinc/09/10/21/398091021.db2.gz NYSVMSUVKYXQDJ-LLVKDONJSA-N 1 0 242.363 1.212 10 0 BDAERO Cc1cnc(NC[C@@H]2CC[NH2+]C2)nc1C ZINC000107201557 322861960 /nfs/dbraw/zinc/86/19/60/322861960.db2.gz CREIAHQSWCEMCX-SNVBAGLBSA-N 1 0 206.293 1.115 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)[C@@H](C)O1 ZINC000384589230 398098906 /nfs/dbraw/zinc/09/89/06/398098906.db2.gz MDPPHQVINUUDON-WYUUTHIRSA-N 1 0 213.321 1.711 10 0 BDAERO CC/C=C\C[NH2+]C[C@@H](O)COCCCC ZINC000384821546 398107724 /nfs/dbraw/zinc/10/77/24/398107724.db2.gz FGUMZSGUUCBZTH-SMYYYNMVSA-N 1 0 215.337 1.720 10 0 BDAERO CC[C@H]([NH3+])CN1C[C@@H](C)OC(C)(C)C1 ZINC000223460197 398127507 /nfs/dbraw/zinc/12/75/07/398127507.db2.gz YPWIAEINWYWKLM-ZJUUUORDSA-N 1 0 200.326 1.223 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1COc2ccccc21 ZINC000385055230 398128494 /nfs/dbraw/zinc/12/84/94/398128494.db2.gz DMSRUYUVVZDXQS-YUSALJHKSA-N 1 0 246.310 1.111 10 0 BDAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncncc1Cl ZINC000389720898 398129337 /nfs/dbraw/zinc/12/93/37/398129337.db2.gz FUNXJAYDDXWVOU-IONNQARKSA-N 1 0 226.711 1.540 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1(C2CC2)CCC1 ZINC000393330468 398130933 /nfs/dbraw/zinc/13/09/33/398130933.db2.gz HQQKUKLNDZGCTF-ZYHUDNBSSA-N 1 0 236.359 1.538 10 0 BDAERO COc1cc(C)nc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389732364 398131100 /nfs/dbraw/zinc/13/11/00/398131100.db2.gz REQQZDKESXMXBS-PSASIEDQSA-N 1 0 236.319 1.204 10 0 BDAERO CC(C)[N@H+]1C[C@H](NCc2ncc[nH]2)[C@@H](C)C1 ZINC000154073953 167033551 /nfs/dbraw/zinc/03/35/51/167033551.db2.gz SVQIYOXFMGFNIH-QWRGUYRKSA-N 1 0 222.336 1.228 10 0 BDAERO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000036781578 167059500 /nfs/dbraw/zinc/05/95/00/167059500.db2.gz WRYQAFYSTRRPPD-JTQLQIEISA-N 1 0 236.315 1.567 10 0 BDAERO CC(C)NC(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000034653684 167068124 /nfs/dbraw/zinc/06/81/24/167068124.db2.gz NYZYVSFVGYGELC-UHFFFAOYSA-N 1 0 221.304 1.700 10 0 BDAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)Cc1ccco1 ZINC000037618627 167100913 /nfs/dbraw/zinc/10/09/13/167100913.db2.gz FAAPPQFCEWXTDO-NSHDSACASA-N 1 0 238.331 1.715 10 0 BDAERO CC(C)[NH2+]CCN(C)C[C@H]1CCCCO1 ZINC000042308775 167102473 /nfs/dbraw/zinc/10/24/73/167102473.db2.gz DGCSPRPYRRMBOI-GFCCVEGCSA-N 1 0 214.353 1.485 10 0 BDAERO CC(C)[NH2+]C[C@H](C)n1nnc2ccccc21 ZINC000052576739 167113350 /nfs/dbraw/zinc/11/33/50/167113350.db2.gz JPWWSISQFZBSAA-JTQLQIEISA-N 1 0 218.304 1.990 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000309676646 167115610 /nfs/dbraw/zinc/11/56/10/167115610.db2.gz LXRPJUVZDHINDX-OLZOCXBDSA-N 1 0 226.364 1.485 10 0 BDAERO CC(C)[NH2+][C@H]1CCCC[C@@H]1CN1CCOCC1 ZINC000026443108 167140882 /nfs/dbraw/zinc/14/08/82/167140882.db2.gz STGFCDLAXCCJKK-KGLIPLIRSA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)N[C@](C)(C[N@@H+]1CCCC1(C)C)C(N)=O ZINC000063072799 167142633 /nfs/dbraw/zinc/14/26/33/167142633.db2.gz VWKPFJNQSQYIAK-CYBMUJFWSA-N 1 0 241.379 1.103 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000324295914 487570355 /nfs/dbraw/zinc/57/03/55/487570355.db2.gz BQCREZQTJWRKOY-APPZFPTMSA-N 1 0 243.269 1.296 10 0 BDAERO C[C@@H]1CSCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000393723793 487576844 /nfs/dbraw/zinc/57/68/44/487576844.db2.gz QJSKNYNTBQJAPQ-WOPDTQHZSA-N 1 0 229.389 1.975 10 0 BDAERO [NH3+][C@H]1CC[C@@H](NC(=O)CC(F)(F)F)CC1 ZINC000238610910 487587198 /nfs/dbraw/zinc/58/71/98/487587198.db2.gz QLCMYQWCRLPIFC-LJGSYFOKSA-N 1 0 224.226 1.325 10 0 BDAERO CC(C)Oc1ccc([C@]2(O)CC[NH2+]C2)cc1 ZINC000071523276 167302734 /nfs/dbraw/zinc/30/27/34/167302734.db2.gz SFIFLNVFQKVFEK-ZDUSSCGKSA-N 1 0 221.300 1.655 10 0 BDAERO CC(C)S(=O)(=O)Nc1cccc(F)c1C[NH3+] ZINC000037657213 167318923 /nfs/dbraw/zinc/31/89/23/167318923.db2.gz IJYBRTCCWGIKPZ-UHFFFAOYSA-N 1 0 246.307 1.435 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCSC2)CC1 ZINC000225489525 487605352 /nfs/dbraw/zinc/60/53/52/487605352.db2.gz GUIACNOCEBXBGY-UDNWOFFPSA-N 1 0 228.361 1.126 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CC[C@H]1O ZINC000309769708 487609109 /nfs/dbraw/zinc/60/91/09/487609109.db2.gz OINDMWPHHYGJQS-FVCCEPFGSA-N 1 0 227.348 1.240 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000662424011 409709095 /nfs/dbraw/zinc/70/90/95/409709095.db2.gz MFKBKTOFBHFYBE-NNYUYHANSA-N 1 0 222.332 1.372 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662370907 409679359 /nfs/dbraw/zinc/67/93/59/409679359.db2.gz FQXMCVNLGJNGQU-WDEREUQCSA-N 1 0 237.290 1.503 10 0 BDAERO CC(C)SCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336761828 167332107 /nfs/dbraw/zinc/33/21/07/167332107.db2.gz NOZRTIZPDUSDRU-ZJUUUORDSA-N 1 0 230.377 1.385 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH+]1CCC(OC2CCC2)CC1 ZINC000660824734 409799811 /nfs/dbraw/zinc/79/98/11/409799811.db2.gz QGFPNZUVNJTZCJ-ZIAGYGMSSA-N 1 0 239.359 1.933 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1ccc2ccncc2c1 ZINC000653137800 409858714 /nfs/dbraw/zinc/85/87/14/409858714.db2.gz TZHBWJXXMZPHCD-SNVBAGLBSA-N 1 0 243.310 1.573 10 0 BDAERO CCC(CC)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662976779 410003557 /nfs/dbraw/zinc/00/35/57/410003557.db2.gz QOTPWIZWFLMQPI-MRVPVSSYSA-N 1 0 240.269 1.771 10 0 BDAERO O=C(N[C@H]1CC12CC2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653165898 410132566 /nfs/dbraw/zinc/13/25/66/410132566.db2.gz KTWNCMUORSANEN-PRJMDXOYSA-N 1 0 248.248 1.053 10 0 BDAERO C[NH2+]C[C@H]1CCCN(c2ncccc2OC)C1 ZINC000128307388 410229572 /nfs/dbraw/zinc/22/95/72/410229572.db2.gz WJAUNRBRUJBYPV-LLVKDONJSA-N 1 0 235.331 1.526 10 0 BDAERO COc1cccnc1N1CCC([C@H](C)[NH3+])CC1 ZINC000127511564 410333205 /nfs/dbraw/zinc/33/32/05/410333205.db2.gz GYDAXHGRDXZZBY-JTQLQIEISA-N 1 0 235.331 1.654 10 0 BDAERO CCN(CC(C)C)C(=O)C[C@H]([NH3+])C(C)C ZINC000128899552 410365188 /nfs/dbraw/zinc/36/51/88/410365188.db2.gz LLQNGILVYUPSON-NSHDSACASA-N 1 0 214.353 1.864 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(O)cc1 ZINC000128945401 410365272 /nfs/dbraw/zinc/36/52/72/410365272.db2.gz YUWJHQBMWJEVQP-NSHDSACASA-N 1 0 222.288 1.704 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC(C)(C)C[C@@H](C)O ZINC000393597660 410452740 /nfs/dbraw/zinc/45/27/40/410452740.db2.gz JTGDCYYVDNQPHP-GHMZBOCLSA-N 1 0 244.379 1.273 10 0 BDAERO CN(C)c1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000133692661 410539869 /nfs/dbraw/zinc/53/98/69/410539869.db2.gz QXYWAVKRFSWAMA-LLVKDONJSA-N 1 0 247.342 1.092 10 0 BDAERO CC(C)(C)CNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055089443 166585462 /nfs/dbraw/zinc/58/54/62/166585462.db2.gz KBJHJPNFBYMEIC-ZJUUUORDSA-N 1 0 212.337 1.666 10 0 BDAERO CO[C@H](CNC(=O)C1CCC([NH3+])CC1)C(C)C ZINC000394473905 410799847 /nfs/dbraw/zinc/79/98/47/410799847.db2.gz OFOQJPBMJJDQEK-HTAVTVPLSA-N 1 0 242.363 1.291 10 0 BDAERO COCC1(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000655490462 410806711 /nfs/dbraw/zinc/80/67/11/410806711.db2.gz KYXFFUMXCRISAQ-QWRGUYRKSA-N 1 0 240.347 1.047 10 0 BDAERO CC(C)(C)CNC(=O)C1CCC([NH3+])CC1 ZINC000040494307 410877057 /nfs/dbraw/zinc/87/70/57/410877057.db2.gz SKXBWOLPQDSCJA-UHFFFAOYSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)CNC(=O)Cc1ccc(C[NH3+])cc1 ZINC000082473363 166986842 /nfs/dbraw/zinc/98/68/42/166986842.db2.gz GWUHZYCKFLTOPU-UHFFFAOYSA-N 1 0 220.316 1.460 10 0 BDAERO CC(C)C[NH2+]CC(C)(C)CN1CCOC[C@H]1C ZINC000051216771 167002955 /nfs/dbraw/zinc/00/29/55/167002955.db2.gz PXQAIINAKZMBTB-CYBMUJFWSA-N 1 0 242.407 1.979 10 0 BDAERO CC(C)C[NH2+]C[C@@H](C)N1CCn2ccnc2C1 ZINC000062325210 167004460 /nfs/dbraw/zinc/00/44/60/167004460.db2.gz JNWCEBUECMWITG-GFCCVEGCSA-N 1 0 236.363 1.333 10 0 BDAERO CC(C)C[NH2+]CC[C@H](O)c1cccc(N)c1 ZINC000098124779 167005566 /nfs/dbraw/zinc/00/55/66/167005566.db2.gz PQVPHOHAKMBGJW-ZDUSSCGKSA-N 1 0 222.332 1.938 10 0 BDAERO CC(C)C[NH2+]C[C@H](O)COc1ccccc1F ZINC000033469271 167006324 /nfs/dbraw/zinc/00/63/24/167006324.db2.gz BYRVIOCXTPGITD-NSHDSACASA-N 1 0 241.306 1.811 10 0 BDAERO CC(C)[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096063652 167031495 /nfs/dbraw/zinc/03/14/95/167031495.db2.gz SLLLGOZYQHKGAX-OKILXGFUSA-N 1 0 245.370 1.854 10 0 BDAERO CC(C)N1C[C@H](C)[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 ZINC000308931203 167032971 /nfs/dbraw/zinc/03/29/71/167032971.db2.gz FJRXQUXPICMBKK-YVECIDJPSA-N 1 0 210.365 1.961 10 0 BDAERO CC(C)NC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916200 167070387 /nfs/dbraw/zinc/07/03/87/167070387.db2.gz CSPYIFIKVKTKIN-VXGBXAGGSA-N 1 0 239.363 1.568 10 0 BDAERO CC(C)[NH2+]CC(=O)Nc1ccccc1[C@H](C)O ZINC000049547443 167098405 /nfs/dbraw/zinc/09/84/05/167098405.db2.gz OULYWVDYVJOBPL-JTQLQIEISA-N 1 0 236.315 1.676 10 0 BDAERO CC(C)[NH2+]CCN(C)CCCn1ccnc1 ZINC000042691179 167101829 /nfs/dbraw/zinc/10/18/29/167101829.db2.gz MOMYKKUXPPXQCA-UHFFFAOYSA-N 1 0 224.352 1.203 10 0 BDAERO CC(C)[NH2+]CCCc1nc(-c2ncccn2)no1 ZINC000037606247 167102204 /nfs/dbraw/zinc/10/22/04/167102204.db2.gz RUSUITFHBDIMIZ-UHFFFAOYSA-N 1 0 247.302 1.457 10 0 BDAERO CC(C)[NH2+]CCN(C)Cc1nccs1 ZINC000087391412 167105066 /nfs/dbraw/zinc/10/50/66/167105066.db2.gz NKIHISSCIQPWGG-UHFFFAOYSA-N 1 0 213.350 1.573 10 0 BDAERO CC(C)[NH2+]CCN1C[C@H](C)OC[C@H]1C ZINC000037477311 167106897 /nfs/dbraw/zinc/10/68/97/167106897.db2.gz GDWSVXUQGKDXOJ-MNOVXSKESA-N 1 0 200.326 1.094 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCCN1[C@@H]1CCOC1=O ZINC000104410119 167110403 /nfs/dbraw/zinc/11/04/03/167110403.db2.gz QZXQTWRCKGNZHI-NWDGAFQWSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000032014429 167111014 /nfs/dbraw/zinc/11/10/14/167111014.db2.gz YWEBTJRVGXLRHO-SNVBAGLBSA-N 1 0 223.272 1.447 10 0 BDAERO CC(C)[NH2+]C[C@]1(C[C@@H]2CCCO2)CCOC1 ZINC000054665104 167117797 /nfs/dbraw/zinc/11/77/97/167117797.db2.gz QGJCNAJLJSAEHW-QWHCGFSZSA-N 1 0 227.348 1.960 10 0 BDAERO CC(C)[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000020299170 167131139 /nfs/dbraw/zinc/13/11/39/167131139.db2.gz ZUQVWZJVPRDPFC-JTQLQIEISA-N 1 0 212.337 1.822 10 0 BDAERO CC(C)N[C@H](C(N)=O)c1ccc(F)cc1F ZINC000037869362 167137411 /nfs/dbraw/zinc/13/74/11/167137411.db2.gz FAETZPZCXNKGDK-JTQLQIEISA-N 1 0 228.242 1.489 10 0 BDAERO CC(C)[NH2+][C@H](CC[N@H+](C)C1CCCC1)C(=O)[O-] ZINC000062446367 167137764 /nfs/dbraw/zinc/13/77/64/167137764.db2.gz KRNSUOKEUDTGEW-GFCCVEGCSA-N 1 0 242.363 1.702 10 0 BDAERO CC(C)[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000020299172 167137988 /nfs/dbraw/zinc/13/79/88/167137988.db2.gz ZUQVWZJVPRDPFC-SNVBAGLBSA-N 1 0 212.337 1.822 10 0 BDAERO CC(C)OCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000122332500 167184408 /nfs/dbraw/zinc/18/44/08/167184408.db2.gz GAMKACLTZDFGQZ-NWDGAFQWSA-N 1 0 240.347 1.107 10 0 BDAERO CC(C)OC[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000019404533 167259383 /nfs/dbraw/zinc/25/93/83/167259383.db2.gz GBXUCTJWVNISFS-SNVBAGLBSA-N 1 0 223.272 1.840 10 0 BDAERO CC(C)Oc1c(N)[nH+]ccc1OC1CC1 ZINC000095726913 167284611 /nfs/dbraw/zinc/28/46/11/167284611.db2.gz OJDXALHEISTGTA-UHFFFAOYSA-N 1 0 208.261 1.992 10 0 BDAERO CC(C)Oc1cc(N2CC[C@H](C[NH3+])C2)ncn1 ZINC000090786070 167287080 /nfs/dbraw/zinc/28/70/80/167287080.db2.gz WASSVZRVVUUTAH-SNVBAGLBSA-N 1 0 236.319 1.049 10 0 BDAERO CC(C)Oc1ccc([C@@H](O)[C@@H](C)[NH3+])cc1 ZINC000037742830 167299589 /nfs/dbraw/zinc/29/95/89/167299589.db2.gz YFJVPIPJCYJQIN-SKDRFNHKSA-N 1 0 209.289 1.854 10 0 BDAERO CC(C)Oc1ccc(SC[C@H](O)C[NH3+])cc1 ZINC000019686849 167300137 /nfs/dbraw/zinc/30/01/37/167300137.db2.gz FMVNPJUYDMQDTA-SNVBAGLBSA-N 1 0 241.356 1.886 10 0 BDAERO CC(C)Oc1cccc([C@H](O)[C@@H](C)[NH3+])c1 ZINC000040641193 167308331 /nfs/dbraw/zinc/30/83/31/167308331.db2.gz OHKYGZFSPGKHSH-BXKDBHETSA-N 1 0 209.289 1.854 10 0 BDAERO CC(C)S(=O)(=O)c1ccccc1C[NH3+] ZINC000082642204 167321000 /nfs/dbraw/zinc/32/10/00/167321000.db2.gz CKSXOMAXGYVPCS-UHFFFAOYSA-N 1 0 213.302 1.327 10 0 BDAERO CC(C)[C@@H](C(=O)[O-])[NH+]1CCC([NH+](C)C)CC1 ZINC000036192557 167345337 /nfs/dbraw/zinc/34/53/37/167345337.db2.gz CPYQLLKPTCFSSU-NSHDSACASA-N 1 0 228.336 1.122 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N1CCC([NH3+])CC1 ZINC000236655881 167356998 /nfs/dbraw/zinc/35/69/98/167356998.db2.gz BBKNPLZORXDMHH-JTQLQIEISA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)C1CC[NH2+]CC1 ZINC000037504713 167362064 /nfs/dbraw/zinc/36/20/64/167362064.db2.gz QGJZDUJHRXYPTM-SNVBAGLBSA-N 1 0 212.337 1.489 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037504721 167366872 /nfs/dbraw/zinc/36/68/72/167366872.db2.gz GMDIZMDMHQZFAO-MNOVXSKESA-N 1 0 212.337 1.489 10 0 BDAERO CC(C)[C@@H](C[NH+](C)C)NCC(=O)OC(C)(C)C ZINC000049205031 167395229 /nfs/dbraw/zinc/39/52/29/167395229.db2.gz NLDLGCUUMHFHHP-LLVKDONJSA-N 1 0 244.379 1.504 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000398098479 410942617 /nfs/dbraw/zinc/94/26/17/410942617.db2.gz VXFBJHIDECHRER-XQQFMLRXSA-N 1 0 245.363 1.321 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397797353 410932388 /nfs/dbraw/zinc/93/23/88/410932388.db2.gz DFHYFMBJCYXFGY-SVNGYHJRSA-N 1 0 222.332 1.276 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397775767 410934480 /nfs/dbraw/zinc/93/44/80/410934480.db2.gz SLTFZJOUNIZGJR-VLEAKVRGSA-N 1 0 210.321 1.275 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H](OCC)C1 ZINC000042424925 411003321 /nfs/dbraw/zinc/00/33/21/411003321.db2.gz GFGOMDHABWCFMZ-QWRGUYRKSA-N 1 0 228.336 1.141 10 0 BDAERO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H](O)C1)[C@@H](C)[NH3+] ZINC000399525368 411048320 /nfs/dbraw/zinc/04/83/20/411048320.db2.gz SCLVNRYVWMGUFI-KKOKHZNYSA-N 1 0 242.363 1.026 10 0 BDAERO CC(C)c1cc(OC2CC[NH2+]CC2)ncn1 ZINC000051865701 167576983 /nfs/dbraw/zinc/57/69/83/167576983.db2.gz GMEWQVOXNZFTPR-UHFFFAOYSA-N 1 0 221.304 1.731 10 0 BDAERO CCC1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000042581975 411018715 /nfs/dbraw/zinc/01/87/15/411018715.db2.gz NENVXNMTZJTWCA-UHFFFAOYSA-N 1 0 224.348 1.823 10 0 BDAERO Cc1cnc(NC2CC[NH2+]CC2)nc1C ZINC000107201583 411132821 /nfs/dbraw/zinc/13/28/21/411132821.db2.gz MFOLRDZEBWPIDM-UHFFFAOYSA-N 1 0 206.293 1.257 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000309511255 411158268 /nfs/dbraw/zinc/15/82/68/411158268.db2.gz PLEARKNZWQMGHX-QONHTCSSSA-N 1 0 210.321 1.147 10 0 BDAERO C[N@H+](C[C@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@H](O)C1 ZINC000660124186 411242831 /nfs/dbraw/zinc/24/28/31/411242831.db2.gz JOXJACYNIMCQJW-MQYQWHSLSA-N 1 0 241.375 1.630 10 0 BDAERO c1[nH]c2ncccc2c1C[C@H]1CCC[NH2+]1 ZINC000003828798 411185370 /nfs/dbraw/zinc/18/53/70/411185370.db2.gz XVMDQOVXVIBOKY-SNVBAGLBSA-N 1 0 201.273 1.857 10 0 BDAERO COCC1(CC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000401298191 411190130 /nfs/dbraw/zinc/19/01/30/411190130.db2.gz QZPSPNWMRHEKJU-GHMZBOCLSA-N 1 0 240.347 1.047 10 0 BDAERO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1O ZINC000061882884 411194101 /nfs/dbraw/zinc/19/41/01/411194101.db2.gz IOWVQCMONXRHEW-NWDGAFQWSA-N 1 0 248.326 1.558 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(O)c1 ZINC000128984023 411196028 /nfs/dbraw/zinc/19/60/28/411196028.db2.gz QSLIXKBONCILNT-LLVKDONJSA-N 1 0 222.288 1.704 10 0 BDAERO CC[C@H](NC(=O)C[C@H]([NH3+])C(C)C)C(C)C ZINC000129005824 411197392 /nfs/dbraw/zinc/19/73/92/411197392.db2.gz ZOWHCOXIGBRTDE-QWRGUYRKSA-N 1 0 214.353 1.911 10 0 BDAERO CC1(C)[C@H]([NH2+]C2CC(CO)C2)[C@H]2CCO[C@H]21 ZINC000658354522 411199847 /nfs/dbraw/zinc/19/98/47/411199847.db2.gz CYSDEIBIROWNEK-WLBBICOFSA-N 1 0 225.332 1.160 10 0 BDAERO C[C@@H]1C[N@H+](C)C[C@@]1(O)c1cccc(F)c1 ZINC000521401063 411211547 /nfs/dbraw/zinc/21/15/47/411211547.db2.gz FNEGSUOCMQHZAV-SKDRFNHKSA-N 1 0 209.264 1.595 10 0 BDAERO C[C@@H]1C[N@H+](C)C[C@]1(O)c1cccc(F)c1 ZINC000521401055 411211616 /nfs/dbraw/zinc/21/16/16/411211616.db2.gz FNEGSUOCMQHZAV-BXKDBHETSA-N 1 0 209.264 1.595 10 0 BDAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCNC2=O)cs1 ZINC000658052489 411219557 /nfs/dbraw/zinc/21/95/57/411219557.db2.gz LLWZHPDSKMHZDC-PSASIEDQSA-N 1 0 224.329 1.596 10 0 BDAERO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCNC1=O ZINC000658053001 411219588 /nfs/dbraw/zinc/21/95/88/411219588.db2.gz IOSGDEZRVOCCEK-WCBMZHEXSA-N 1 0 224.329 1.157 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCNC1=O)[C@@H]1CC1(C)C ZINC000658052844 411219767 /nfs/dbraw/zinc/21/97/67/411219767.db2.gz POHKJMXENOCZLG-GUBZILKMSA-N 1 0 210.321 1.289 10 0 BDAERO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000658052396 411220133 /nfs/dbraw/zinc/22/01/33/411220133.db2.gz DIEMPYWGKGWADL-ZWNOBZJWSA-N 1 0 248.326 1.104 10 0 BDAERO C[C@@H]1CCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000070834220 411227279 /nfs/dbraw/zinc/22/72/79/411227279.db2.gz LPPPUISAACJQOK-HBIQZDMRSA-N 1 0 224.348 1.809 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@H](C)[C@H](C)C1 ZINC000129125512 411231925 /nfs/dbraw/zinc/23/19/25/411231925.db2.gz RVIZNWBLHKDRMX-AXFHLTTASA-N 1 0 212.337 1.474 10 0 BDAERO CO[C@H](C)C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000299891290 411232154 /nfs/dbraw/zinc/23/21/54/411232154.db2.gz MFIADMOMQYLRRY-JHJVBQTASA-N 1 0 226.364 1.580 10 0 BDAERO COCC1(CN2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000310295441 411232370 /nfs/dbraw/zinc/23/23/70/411232370.db2.gz AKDKEJPIYZUGAA-ZDUSSCGKSA-N 1 0 238.375 1.583 10 0 BDAERO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000660112878 411236025 /nfs/dbraw/zinc/23/60/25/411236025.db2.gz OROPZMGSZQPSCO-AGIUHOORSA-N 1 0 241.375 1.773 10 0 BDAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000310423474 411236730 /nfs/dbraw/zinc/23/67/30/411236730.db2.gz ZMUIPVGLJFPRNR-WZRBSPASSA-N 1 0 239.315 1.545 10 0 BDAERO CC[C@H](NC(=O)[C@@]1(COC)CC[NH2+]C1)C(C)C ZINC000310447426 411238218 /nfs/dbraw/zinc/23/82/18/411238218.db2.gz RMALCTQQWZKKSE-AAEUAGOBSA-N 1 0 242.363 1.163 10 0 BDAERO CCC(CC)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128850074 411247884 /nfs/dbraw/zinc/24/78/84/411247884.db2.gz PBDVSIDRWWKYPY-JTQLQIEISA-N 1 0 200.326 1.665 10 0 BDAERO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000310533854 411240991 /nfs/dbraw/zinc/24/09/91/411240991.db2.gz QNFXCNIFGJAOMQ-MCIONIFRSA-N 1 0 240.391 1.564 10 0 BDAERO Cc1cnc(NC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000128866182 411261241 /nfs/dbraw/zinc/26/12/41/411261241.db2.gz ONXKRWUMIWTTGO-MRVPVSSYSA-N 1 0 227.333 1.763 10 0 BDAERO COc1cccnc1NC[C@]1(C)CCC[NH2+]C1 ZINC000129374153 411268070 /nfs/dbraw/zinc/26/80/70/411268070.db2.gz ZYIJOYIQAOLJMY-CYBMUJFWSA-N 1 0 235.331 1.892 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]12 ZINC000659305679 411299872 /nfs/dbraw/zinc/29/98/72/411299872.db2.gz JXRSTLLLSIPTEJ-RQVGPUOWSA-N 1 0 234.343 1.228 10 0 BDAERO COCC1(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)CCC1 ZINC000401731674 411305696 /nfs/dbraw/zinc/30/56/96/411305696.db2.gz DCRNYCSHCGHLST-VXGBXAGGSA-N 1 0 227.348 1.506 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccc(O)c1 ZINC000658241802 411308161 /nfs/dbraw/zinc/30/81/61/411308161.db2.gz GEJAOYXHGLQKID-WDEREUQCSA-N 1 0 248.326 1.521 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ncccc1Cl ZINC000656609646 411308374 /nfs/dbraw/zinc/30/83/74/411308374.db2.gz RSPLDGNEURADGI-UHFFFAOYSA-N 1 0 213.712 1.909 10 0 BDAERO Cc1cc(N(C)CC(C)(C)[NH3+])nc(C)n1 ZINC000656609644 411308674 /nfs/dbraw/zinc/30/86/74/411308674.db2.gz RPNKFFQXAJJWPZ-UHFFFAOYSA-N 1 0 208.309 1.267 10 0 BDAERO CCc1nsc(N2CC3CC2(C[NH3+])C3)n1 ZINC000656611817 411309808 /nfs/dbraw/zinc/30/98/08/411309808.db2.gz LBZHDAUSYDLZRM-UHFFFAOYSA-N 1 0 224.333 1.028 10 0 BDAERO CC(C)[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000658245432 411310555 /nfs/dbraw/zinc/31/05/55/411310555.db2.gz XYCDARFQJBQYGS-GXFFZTMASA-N 1 0 224.348 1.489 10 0 BDAERO CCOc1cncc(NCC[NH2+]C2CC2)n1 ZINC000070580119 411317733 /nfs/dbraw/zinc/31/77/33/411317733.db2.gz ZMZHFEDLEKAGDU-UHFFFAOYSA-N 1 0 222.292 1.039 10 0 BDAERO CC(C)CC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000336699733 411319522 /nfs/dbraw/zinc/31/95/22/411319522.db2.gz ZYULXISULWLZDY-AVGNSLFASA-N 1 0 229.364 1.941 10 0 BDAERO CCn1nc(C)c([C@H](C)[NH2+]C/C=C/CO)c1C ZINC000658132531 411256717 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411357659 /nfs/dbraw/zinc/35/76/59/411357659.db2.gz ZHEBABZJRDUXBM-SDDRHHMPSA-N 1 0 229.364 1.534 10 0 BDAERO Cc1ccnc(N2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000069727485 411359550 /nfs/dbraw/zinc/35/95/50/411359550.db2.gz BVRFJCWBEJCNGI-NEPJUHHUSA-N 1 0 219.332 1.954 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000403796434 411359976 /nfs/dbraw/zinc/35/99/76/411359976.db2.gz GPFKVHSJRNURHA-DDHJBXDOSA-N 1 0 240.347 1.140 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@@H]2CCO[C@@H]21 ZINC000300422458 168014380 /nfs/dbraw/zinc/01/43/80/168014380.db2.gz OCUIZYUNRLBCOR-SJHCENCUSA-N 1 0 239.359 1.551 10 0 BDAERO CC(C)(F)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000659362502 411377603 /nfs/dbraw/zinc/37/76/03/411377603.db2.gz ZJPHKIBBZOXTQP-SNVBAGLBSA-N 1 0 230.327 1.631 10 0 BDAERO CC1=[NH+]C[C@]2(CCc3ccccc3C2)N1 ZINC000013743769 168137827 /nfs/dbraw/zinc/13/78/27/168137827.db2.gz AYCMBBVUNLLXFD-CYBMUJFWSA-N 1 0 200.285 1.936 10 0 BDAERO 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BDAERO C[C@H]1CC(CNC(=O)[C@H]2CC[NH2+]C2)C[C@H](C)C1 ZINC000659343168 411399295 /nfs/dbraw/zinc/39/92/95/411399295.db2.gz MONKAUMNYCARME-WZRBSPASSA-N 1 0 238.375 1.784 10 0 BDAERO C[C@H]1C[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000659343166 411399718 /nfs/dbraw/zinc/39/97/18/411399718.db2.gz MONKAUMNYCARME-MROQNXINSA-N 1 0 238.375 1.784 10 0 BDAERO C[C@H]1Cc2nc[nH]c2[C@](C)(c2ccccc2O)[NH2+]1 ZINC000222770733 411401428 /nfs/dbraw/zinc/40/14/28/411401428.db2.gz ZCXRZENIQDABSJ-XPTSAGLGSA-N 1 0 243.310 1.913 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCC2CCC2)C1 ZINC000659362814 411404000 /nfs/dbraw/zinc/40/40/00/411404000.db2.gz XJTPAMKVZGGHBU-VXGBXAGGSA-N 1 0 224.348 1.810 10 0 BDAERO Nc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cn1 ZINC000052763191 411404631 /nfs/dbraw/zinc/40/46/31/411404631.db2.gz VLNXLULVTMFMFU-GFCCVEGCSA-N 1 0 235.331 1.401 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000659379646 411406192 /nfs/dbraw/zinc/40/61/92/411406192.db2.gz KVBKXAWMOYPFSP-CABZTGNLSA-N 1 0 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NALMKAFYXFQFLF-NSHDSACASA-N 1 0 220.320 1.539 10 0 BDAERO CCN1CC[C@@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000328219991 170012419 /nfs/dbraw/zinc/01/24/19/170012419.db2.gz YDKCLSITISTFDM-GFCCVEGCSA-N 1 0 226.364 1.629 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000328469961 170014346 /nfs/dbraw/zinc/01/43/46/170014346.db2.gz KWSMHZRLNHOPIS-YPMHNXCESA-N 1 0 248.374 1.481 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2cccnn2)C1 ZINC000052816093 170016374 /nfs/dbraw/zinc/01/63/74/170016374.db2.gz QQURUZRCJFPPHW-SNVBAGLBSA-N 1 0 206.293 1.230 10 0 BDAERO CCN1CC[C@H]([NH2+]CC2(SC)CC2)C1 ZINC000336900963 170021013 /nfs/dbraw/zinc/02/10/13/170021013.db2.gz SEWQNRKXJWZVNM-JTQLQIEISA-N 1 0 214.378 1.566 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000309474491 170030729 /nfs/dbraw/zinc/03/07/29/170030729.db2.gz RKGYLUVFUVFBGH-SKDRFNHKSA-N 1 0 222.336 1.148 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000336781206 170032255 /nfs/dbraw/zinc/03/22/55/170032255.db2.gz UBWADSKARBNFQO-DGCLKSJQSA-N 1 0 221.348 1.455 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]C2CCSCC2)C1 ZINC000336773366 170036631 /nfs/dbraw/zinc/03/66/31/170036631.db2.gz YOVWBIYHLOKCJX-CMPLNLGQSA-N 1 0 228.405 1.812 10 0 BDAERO CCN1C[C@H]([NH2+][C@@H](C)c2cn[nH]c2)[C@@H](C)C1 ZINC000309982172 170037474 /nfs/dbraw/zinc/03/74/74/170037474.db2.gz WPLNDVAFJFAYIF-NHCYSSNCSA-N 1 0 222.336 1.401 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000336758798 170039287 /nfs/dbraw/zinc/03/92/87/170039287.db2.gz JXNQVIAOLGJVNU-YFKTTZPYSA-N 1 0 228.405 1.668 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000336778760 170039355 /nfs/dbraw/zinc/03/93/55/170039355.db2.gz MFSSFAHPOFQMHH-ZDEQEGDKSA-N 1 0 226.364 1.341 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000336758446 170039436 /nfs/dbraw/zinc/03/94/36/170039436.db2.gz JXNQVIAOLGJVNU-NNYUYHANSA-N 1 0 228.405 1.668 10 0 BDAERO CCNC(=[NH2+])N[C@@H](C)COc1ccc(C)cc1 ZINC000052043503 170041372 /nfs/dbraw/zinc/04/13/72/170041372.db2.gz JNVXASMACPFLNL-NSHDSACASA-N 1 0 235.331 1.896 10 0 BDAERO CCNC(=O)CC[NH2+][C@@]1(CO)CCC[C@H](C)C1 ZINC000053125500 170053205 /nfs/dbraw/zinc/05/32/05/170053205.db2.gz RINNFYMDONAWEF-AAEUAGOBSA-N 1 0 242.363 1.043 10 0 BDAERO CCNC(=O)CC[NH2+][C@@]1(CO)CCC[C@@H](C)C1 ZINC000053125503 170053291 /nfs/dbraw/zinc/05/32/91/170053291.db2.gz RINNFYMDONAWEF-YPMHNXCESA-N 1 0 242.363 1.043 10 0 BDAERO CCNC(=O)CC[NH2+]C(C)(C)c1nccs1 ZINC000173419258 170053321 /nfs/dbraw/zinc/05/33/21/170053321.db2.gz FPQAWAYATNOFSH-UHFFFAOYSA-N 1 0 241.360 1.494 10 0 BDAERO CCNC(=O)C[N@H+](C)[C@@H](C)c1ccc(N)cc1 ZINC000049725795 170054943 /nfs/dbraw/zinc/05/49/43/170054943.db2.gz JGZNSXHKWVXPNP-JTQLQIEISA-N 1 0 235.331 1.398 10 0 BDAERO CCNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107823215 170073488 /nfs/dbraw/zinc/07/34/88/170073488.db2.gz PZDKKTOEZALAEI-LBPRGKRZSA-N 1 0 239.363 1.666 10 0 BDAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CC)C(C)C ZINC000042588934 170077689 /nfs/dbraw/zinc/07/76/89/170077689.db2.gz NGMSUUDERRZWBE-NXEZZACHSA-N 1 0 243.351 1.245 10 0 BDAERO CCNC(=O)[C@@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020419258 170089838 /nfs/dbraw/zinc/08/98/38/170089838.db2.gz CMWSJXUVKDPVLO-VHSXEESVSA-N 1 0 236.315 1.610 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+]Cc1cccn1CC ZINC000085608844 170095231 /nfs/dbraw/zinc/09/52/31/170095231.db2.gz YDDBKYQDKABRFT-JTQLQIEISA-N 1 0 223.320 1.122 10 0 BDAERO CCNC(=O)[C@H](C)Oc1ccccc1CC[NH3+] ZINC000037720563 170096580 /nfs/dbraw/zinc/09/65/80/170096580.db2.gz DOIDUMBGYQISII-JTQLQIEISA-N 1 0 236.315 1.091 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1CC ZINC000061296845 170106166 /nfs/dbraw/zinc/10/61/66/170106166.db2.gz FSGYBVPTZDXWIG-JTQLQIEISA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(CC)Cc1ccncc1 ZINC000061296390 170106430 /nfs/dbraw/zinc/10/64/30/170106430.db2.gz OOFABFIVOVYQJB-UHFFFAOYSA-N 1 0 249.358 1.818 10 0 BDAERO CC[NH2+]C1CCC(NC(=O)OC)CC1 ZINC000036880944 170108560 /nfs/dbraw/zinc/10/85/60/170108560.db2.gz IIKHIICIAHIOIW-UHFFFAOYSA-N 1 0 200.282 1.263 10 0 BDAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)OC ZINC000054629646 170109333 /nfs/dbraw/zinc/10/93/33/170109333.db2.gz AOXLNVXWNVWXQS-YEJSDXFRSA-N 1 0 240.347 1.153 10 0 BDAERO CC[NH2+]CC(=O)c1ccc(OC)c(OC)c1 ZINC000041613448 170110635 /nfs/dbraw/zinc/11/06/35/170110635.db2.gz KLXKSPIZOXFQLL-UHFFFAOYSA-N 1 0 223.272 1.496 10 0 BDAERO CC[NH2+]CC1(Cc2cnn(C)c2)CCOCC1 ZINC000061674147 170110695 /nfs/dbraw/zinc/11/06/95/170110695.db2.gz QQNXCAIAXVWXHL-UHFFFAOYSA-N 1 0 237.347 1.369 10 0 BDAERO CC[NH2+]CCC(=O)N1CCCCCCC1 ZINC000061288358 170111760 /nfs/dbraw/zinc/11/17/60/170111760.db2.gz XFKHQWWKQFDKEK-UHFFFAOYSA-N 1 0 212.337 1.779 10 0 BDAERO CC[NH2+]CCCNc1cc2ccccc2c(=O)[nH]1 ZINC000038043395 170112587 /nfs/dbraw/zinc/11/25/87/170112587.db2.gz PTCOFNVUUCYPFF-UHFFFAOYSA-N 1 0 245.326 1.940 10 0 BDAERO CC[NH2+]CCN1CCc2sccc2C1 ZINC000044380297 170113431 /nfs/dbraw/zinc/11/34/31/170113431.db2.gz SDHHMSOMOXXJIF-UHFFFAOYSA-N 1 0 210.346 1.716 10 0 BDAERO CC[NH2+]CC[C@@H](O)c1ccc(OC)cc1 ZINC000049814558 170117558 /nfs/dbraw/zinc/11/75/58/170117558.db2.gz LSXNYBCCNRZLBY-GFCCVEGCSA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000061226949 170117849 /nfs/dbraw/zinc/11/78/49/170117849.db2.gz DFLDUHPQYJVHBG-LLVKDONJSA-N 1 0 212.337 1.491 10 0 BDAERO CC[NH2+]CCn1c2ccccc2oc1=O ZINC000042410051 170117908 /nfs/dbraw/zinc/11/79/08/170117908.db2.gz ZKUKRQBMCKNIQC-UHFFFAOYSA-N 1 0 206.245 1.204 10 0 BDAERO CC[NH2+]CCn1ccc(=O)c2ccccc21 ZINC000043373697 170118436 /nfs/dbraw/zinc/11/84/36/170118436.db2.gz BYOJROYFNILHLK-UHFFFAOYSA-N 1 0 216.284 1.611 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000032015845 170119337 /nfs/dbraw/zinc/11/93/37/170119337.db2.gz WOQSPUKZKLMUPL-SECBINFHSA-N 1 0 229.707 1.689 10 0 BDAERO CC[NH2+]C[C@@H](O)c1c(C)cc(C)cc1OC ZINC000083266739 170119940 /nfs/dbraw/zinc/11/99/40/170119940.db2.gz YRKCBWBNAMCDFT-LLVKDONJSA-N 1 0 223.316 1.955 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(CC(C)C)C1CC1 ZINC000061236062 170120848 /nfs/dbraw/zinc/12/08/48/170120848.db2.gz YQJVDQAPBZTQOH-NSHDSACASA-N 1 0 226.364 1.879 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(C)CCc1ccccc1 ZINC000061236825 170121330 /nfs/dbraw/zinc/12/13/30/170121330.db2.gz LEVKVBZKXZXXGK-ZDUSSCGKSA-N 1 0 248.370 1.933 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000032012219 170121547 /nfs/dbraw/zinc/12/15/47/170121547.db2.gz ZDZSYKZHFHSLKX-NSHDSACASA-N 1 0 209.289 1.344 10 0 BDAERO CC[NH2+]C[C@H](C)N1CCCO[C@H](C)C1 ZINC000061935562 170121960 /nfs/dbraw/zinc/12/19/60/170121960.db2.gz WIFVWYMVCIMFIM-WDEREUQCSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]C[C@H](O)c1cc(C)c(OC)cc1C ZINC000049819415 170122361 /nfs/dbraw/zinc/12/23/61/170122361.db2.gz ZCOAYUUNIJKKIQ-LBPRGKRZSA-N 1 0 223.316 1.955 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2cc(CC)ncn2)C1 ZINC000053696296 170122757 /nfs/dbraw/zinc/12/27/57/170122757.db2.gz JFNDZCNFRIUOBS-GFCCVEGCSA-N 1 0 248.374 1.865 10 0 BDAERO CC[NH2+]Cc1cc(C)ccc1O[C@H](C)C(N)=O ZINC000071406063 170125479 /nfs/dbraw/zinc/12/54/79/170125479.db2.gz GHTHZARXKWAEAP-SNVBAGLBSA-N 1 0 236.315 1.357 10 0 BDAERO CC[NH2+]Cc1ccoc1Cn1cc(C)cn1 ZINC000052576845 170129260 /nfs/dbraw/zinc/12/92/60/170129260.db2.gz KMRAUSCTLVOIKF-UHFFFAOYSA-N 1 0 219.288 1.942 10 0 BDAERO CC[NH2+]Cc1cnc(N2CCO[C@H](C)C2)s1 ZINC000054900774 170130710 /nfs/dbraw/zinc/13/07/10/170130710.db2.gz VVEKSKYXVGUROY-SECBINFHSA-N 1 0 241.360 1.478 10 0 BDAERO CC[NH2+]Cc1nnc(-c2cccnc2OC)o1 ZINC000061446876 170131467 /nfs/dbraw/zinc/13/14/67/170131467.db2.gz JGGJBEBBNZFQQN-UHFFFAOYSA-N 1 0 234.259 1.250 10 0 BDAERO CC[NH2+]Cc1nc(-n2cncn2)ccc1Cl ZINC000051489509 170131498 /nfs/dbraw/zinc/13/14/98/170131498.db2.gz JKNCMLJSXBLFKK-UHFFFAOYSA-N 1 0 237.694 1.425 10 0 BDAERO CC[NH2+]Cc1nnnn1C1CCCCCC1 ZINC000054745605 170131557 /nfs/dbraw/zinc/13/15/57/170131557.db2.gz GQPPLKILLUZPDY-UHFFFAOYSA-N 1 0 223.324 1.678 10 0 BDAERO CC[NH2+]Cc1sc(N(C)C)nc1Cl ZINC000045206299 170132486 /nfs/dbraw/zinc/13/24/86/170132486.db2.gz MYUKOXTZSOFWQP-UHFFFAOYSA-N 1 0 219.741 1.972 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCCO[C@@H](C)C1 ZINC000061920159 170139342 /nfs/dbraw/zinc/13/93/42/170139342.db2.gz AYYXWFMENYYDKT-QWRGUYRKSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+][C@@H](C)Cc1nc2cccnc2[nH]1 ZINC000061181995 170140231 /nfs/dbraw/zinc/14/02/31/170140231.db2.gz IHBMPUFUKUFHPH-QMMMGPOBSA-N 1 0 204.277 1.498 10 0 BDAERO CC[NH2+][C@@H](C)c1c(F)cccc1N(C)CCO ZINC000037899434 170140590 /nfs/dbraw/zinc/14/05/90/170140590.db2.gz MOGSRVQMTAOEEU-JTQLQIEISA-N 1 0 240.322 1.925 10 0 BDAERO CC[NH2+][C@@H](C)c1cnc(N(C)C)nc1C ZINC000054962934 170143045 /nfs/dbraw/zinc/14/30/45/170143045.db2.gz RKNGWQFUUIWFCH-QMMMGPOBSA-N 1 0 208.309 1.522 10 0 BDAERO CC[NH2+][C@@H](CCOc1cccc(F)c1)C(N)=O ZINC000062550368 170144892 /nfs/dbraw/zinc/14/48/92/170144892.db2.gz SQPDUIZYFYQBCI-NSHDSACASA-N 1 0 240.278 1.058 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@H]1CN1CCOC[C@@H]1C ZINC000053858144 170150651 /nfs/dbraw/zinc/15/06/51/170150651.db2.gz ROELUMVACSOCBO-MELADBBJSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@@H]1CCCCC[C@H]1N1CCOCC1 ZINC000043808267 170150801 /nfs/dbraw/zinc/15/08/01/170150801.db2.gz ZKIIUGLRUZMHGF-CHWSQXEVSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2csc(C)n2)C1 ZINC000049533918 170151303 /nfs/dbraw/zinc/15/13/03/170151303.db2.gz RKFLFRPJIWQMFJ-SNVBAGLBSA-N 1 0 225.361 1.635 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@H]1N1CCOC(C)(C)C1 ZINC000043897825 170151556 /nfs/dbraw/zinc/15/15/56/170151556.db2.gz FTZYPXKHOIKKBI-VXGBXAGGSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cnn(CC)c2)C1 ZINC000035781170 170152825 /nfs/dbraw/zinc/15/28/25/170152825.db2.gz PMMRKFDDNQDUBJ-SNVBAGLBSA-N 1 0 208.309 1.091 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2nccs2)C1 ZINC000049533907 170168191 /nfs/dbraw/zinc/16/81/91/170168191.db2.gz BKKWHAGPUBAADP-VIFPVBQESA-N 1 0 211.334 1.327 10 0 BDAERO CC[NH2+][C@@H]1c2ccc(OC)cc2NC1=O ZINC000104992600 170165979 /nfs/dbraw/zinc/16/59/79/170165979.db2.gz JCCLADWKJDZNGV-SNVBAGLBSA-N 1 0 206.245 1.298 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1OCCCOC ZINC000044107997 170167196 /nfs/dbraw/zinc/16/71/96/170167196.db2.gz TVVFWAHWPQBAEM-WDEREUQCSA-N 1 0 201.310 1.570 10 0 BDAERO CC[NH2+][C@](C)(C(N)=O)c1ccccc1C ZINC000037447667 170170594 /nfs/dbraw/zinc/17/05/94/170170594.db2.gz DBILCWWNIBFODP-LBPRGKRZSA-N 1 0 206.289 1.305 10 0 BDAERO CCNc1cc(C[N@@H+]2CCC[C@H](O)C2)ccn1 ZINC000052729622 170171953 /nfs/dbraw/zinc/17/19/53/170171953.db2.gz CETNPCAXXLXIMJ-LBPRGKRZSA-N 1 0 235.331 1.470 10 0 BDAERO CCNc1ccc(C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000061711601 170173289 /nfs/dbraw/zinc/17/32/89/170173289.db2.gz YQGPUDLFSDDHGO-NSHDSACASA-N 1 0 221.304 1.080 10 0 BDAERO CCOC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128193924 170221103 /nfs/dbraw/zinc/22/11/03/170221103.db2.gz WSYOGBICUPECNM-DGCLKSJQSA-N 1 0 241.331 1.177 10 0 BDAERO CCOC(=O)COc1ccc2c(c1)OC[C@@H]2[NH3+] ZINC000035269765 170228709 /nfs/dbraw/zinc/22/87/09/170228709.db2.gz KODTUUXSWGQFPX-JTQLQIEISA-N 1 0 237.255 1.021 10 0 BDAERO CCOC(=O)Cn1c(N)[nH+]c2ccc(F)cc21 ZINC000052122972 170237257 /nfs/dbraw/zinc/23/72/57/170237257.db2.gz HTOZANVQOBKDCT-UHFFFAOYSA-N 1 0 237.234 1.321 10 0 BDAERO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069725462 170239258 /nfs/dbraw/zinc/23/92/58/170239258.db2.gz GGPAWRCOUINSRY-DTWKUNHWSA-N 1 0 200.282 1.202 10 0 BDAERO CCOC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000040596643 170239560 /nfs/dbraw/zinc/23/95/60/170239560.db2.gz JRCZWLVYRRMVFC-VIFPVBQESA-N 1 0 200.282 1.074 10 0 BDAERO CCOC(=O)[C@@H](C[NH+]1CCC(C)(C)CC1)NC ZINC000061821892 170251706 /nfs/dbraw/zinc/25/17/06/170251706.db2.gz XYGBWBBXJDTUIL-LLVKDONJSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000020285823 170259845 /nfs/dbraw/zinc/25/98/45/170259845.db2.gz QLBZGDODJLORLZ-LLVKDONJSA-N 1 0 205.257 1.437 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]1(C)c1ccccc1 ZINC000096032686 170259870 /nfs/dbraw/zinc/25/98/70/170259870.db2.gz ZZDBUIZTYKSKSH-GXTWGEPZSA-N 1 0 233.311 1.727 10 0 BDAERO CCOC(=O)[C@H](C)N[C@H](C)C1CC[NH+](C)CC1 ZINC000049369749 170268067 /nfs/dbraw/zinc/26/80/67/170268067.db2.gz QWHNIIMPCWPRKV-MNOVXSKESA-N 1 0 242.363 1.258 10 0 BDAERO CCOC(=O)[C@H](N)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000062443616 170273856 /nfs/dbraw/zinc/27/38/56/170273856.db2.gz FPRPROXUSGZGSA-GRYCIOLGSA-N 1 0 242.363 1.530 10 0 BDAERO CCOC1CC(C[NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000348153354 170326221 /nfs/dbraw/zinc/32/62/21/170326221.db2.gz SQNPEYNTICSLGE-HBIQZDMRSA-N 1 0 213.321 1.569 10 0 BDAERO CCOC1CC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C1 ZINC000309058075 170329377 /nfs/dbraw/zinc/32/93/77/170329377.db2.gz VIJNSSUIICBEOD-XMCLCESHSA-N 1 0 211.305 1.036 10 0 BDAERO CCOC1CCN([C@H]2CCCC[NH2+]C2)CC1 ZINC000054135172 170332023 /nfs/dbraw/zinc/33/20/23/170332023.db2.gz XPDARNCKNGQUNI-LBPRGKRZSA-N 1 0 226.364 1.629 10 0 BDAERO CCOCC(=O)N(c1ccc(C[NH3+])cc1)C1CC1 ZINC000034654949 170338613 /nfs/dbraw/zinc/33/86/13/170338613.db2.gz WJANRGJBJIWZAU-UHFFFAOYSA-N 1 0 248.326 1.677 10 0 BDAERO CCOCCCN1CC[NH2+][C@H](C(C)C)C1 ZINC000083059969 170372865 /nfs/dbraw/zinc/37/28/65/170372865.db2.gz NJVRROBAHVYMTM-LBPRGKRZSA-N 1 0 214.353 1.343 10 0 BDAERO CCOCCCN1C[C@@H](CC)[NH2+]C[C@H]1C ZINC000083088794 170374094 /nfs/dbraw/zinc/37/40/94/170374094.db2.gz UCHYWDWQAPLEIC-VXGBXAGGSA-N 1 0 214.353 1.485 10 0 BDAERO CCOCCCNC(=O)[C@@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055123956 170378765 /nfs/dbraw/zinc/37/87/65/170378765.db2.gz PYUBTIFHFSANRS-UTUOFQBUSA-N 1 0 242.363 1.293 10 0 BDAERO CCOCCC[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000034938532 170381215 /nfs/dbraw/zinc/38/12/15/170381215.db2.gz OEIFIFXSAFDRMS-NSHDSACASA-N 1 0 244.379 1.696 10 0 BDAERO CCOCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000152327884 170397712 /nfs/dbraw/zinc/39/77/12/170397712.db2.gz ICJYMUMESBOEET-LBPRGKRZSA-N 1 0 223.320 1.973 10 0 BDAERO CCOCCNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145067 170408918 /nfs/dbraw/zinc/40/89/18/170408918.db2.gz RGZXAYBCTBUGPE-NWDGAFQWSA-N 1 0 242.363 1.294 10 0 BDAERO CCC(CC)C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657694401 411580593 /nfs/dbraw/zinc/58/05/93/411580593.db2.gz LQLDMXNKAMITJA-NSHDSACASA-N 1 0 212.337 1.491 10 0 BDAERO CN1C[C@H](C[NH2+]Cc2cccs2)CC1=O ZINC000657694653 411581138 /nfs/dbraw/zinc/58/11/38/411581138.db2.gz OLWXXNYCVYOVMM-VIFPVBQESA-N 1 0 224.329 1.316 10 0 BDAERO COc1cccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000657695370 411581293 /nfs/dbraw/zinc/58/12/93/411581293.db2.gz ZIDNIWJHXLNMDY-GFCCVEGCSA-N 1 0 248.326 1.263 10 0 BDAERO CCC[C@H](C)C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694567 411581333 /nfs/dbraw/zinc/58/13/33/411581333.db2.gz GADGCUFGLAGACE-WDEREUQCSA-N 1 0 212.337 1.491 10 0 BDAERO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657698341 411581923 /nfs/dbraw/zinc/58/19/23/411581923.db2.gz VXOAIQOGTGHNBO-GMTAPVOTSA-N 1 0 210.321 1.243 10 0 BDAERO Cc1ncsc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696975 411582027 /nfs/dbraw/zinc/58/20/27/411582027.db2.gz MELUIBCWNLRMDC-SECBINFHSA-N 1 0 239.344 1.019 10 0 BDAERO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696908 411582116 /nfs/dbraw/zinc/58/21/16/411582116.db2.gz XNAWLLRULVFTPI-UPJWGTAASA-N 1 0 238.375 1.881 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000660476830 411590335 /nfs/dbraw/zinc/59/03/35/411590335.db2.gz HLPVBJWABXMVMZ-KOLCDFICSA-N 1 0 208.305 1.209 10 0 BDAERO OCC1CC([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000657808587 411600727 /nfs/dbraw/zinc/60/07/27/411600727.db2.gz MRBWMDXDMLJXDA-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO C[C@H]1CC[C@@H]([NH2+]C2CC(CO)C2)CS1 ZINC000657811658 411603433 /nfs/dbraw/zinc/60/34/33/411603433.db2.gz VKQURYZJRAFURN-QPBDYMMBSA-N 1 0 215.362 1.631 10 0 BDAERO CC1(C)[C@H]([NH2+]CCOCCF)[C@@H]2CCO[C@H]21 ZINC000663461722 411663327 /nfs/dbraw/zinc/66/33/27/411663327.db2.gz GWEMATGKJAPYRY-HBNTYKKESA-N 1 0 231.311 1.376 10 0 BDAERO CC1(C)[C@H]([NH2+]CCOCCF)[C@H]2CCO[C@@H]21 ZINC000663461723 411663628 /nfs/dbraw/zinc/66/36/28/411663628.db2.gz GWEMATGKJAPYRY-MXWKQRLJSA-N 1 0 231.311 1.376 10 0 BDAERO CCOc1cccc([C@H](O)[C@@H]2CCC[NH2+]2)c1 ZINC000041237300 170585603 /nfs/dbraw/zinc/58/56/03/170585603.db2.gz IMHZWSBMQDIZPN-STQMWFEESA-N 1 0 221.300 1.871 10 0 BDAERO CC[C@@H](C)NC(=O)COCC[C@@H]1CCCC[NH2+]1 ZINC000051862200 170740139 /nfs/dbraw/zinc/74/01/39/170740139.db2.gz NBUVTVSMMRGZQH-NEPJUHHUSA-N 1 0 242.363 1.450 10 0 BDAERO Cc1cc(N(C)CC[C@@H]([NH3+])C(C)C)nc(C)n1 ZINC000133595173 411852278 /nfs/dbraw/zinc/85/22/78/411852278.db2.gz OVZKZLNJKXUBOW-GFCCVEGCSA-N 1 0 236.363 1.903 10 0 BDAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1cc(N)n[nH]1 ZINC000616678667 411856599 /nfs/dbraw/zinc/85/65/99/411856599.db2.gz ABZBOWPLUHHBNJ-AWEZNQCLSA-N 1 0 242.326 1.959 10 0 BDAERO CCOC(=O)N1CCC[C@H]1c1ccnc(N)c1 ZINC000616606753 411862555 /nfs/dbraw/zinc/86/25/55/411862555.db2.gz IJUURFQMCPCDCB-JTQLQIEISA-N 1 0 235.287 1.957 10 0 BDAERO Cc1cccc(CCC(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000133696011 411908699 /nfs/dbraw/zinc/90/86/99/411908699.db2.gz AWBUANHCWMOLAX-CQSZACIVSA-N 1 0 246.354 1.653 10 0 BDAERO CC[C@@H](C1CCCCC1)n1nnnc1C[NH2+]C ZINC000054746854 170811328 /nfs/dbraw/zinc/81/13/28/170811328.db2.gz OOCDHXMWZZWZCV-NSHDSACASA-N 1 0 237.351 1.924 10 0 BDAERO CC[C@@H](C[NH3+])[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052947321 170822354 /nfs/dbraw/zinc/82/23/54/170822354.db2.gz OWQYXTWHVYKSCX-GXSJLCMTSA-N 1 0 239.340 1.542 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2ccc(N)nc2)C1 ZINC000616649441 411868573 /nfs/dbraw/zinc/86/85/73/411868573.db2.gz JSIKHUIOEAQXDV-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)[N@@H+]1CCC[C@H](n2ccc(N)n2)CC1 ZINC000616603031 411871088 /nfs/dbraw/zinc/87/10/88/411871088.db2.gz VGGJPXKISNYAOX-NSHDSACASA-N 1 0 222.336 1.901 10 0 BDAERO CC[C@@H]([NH3+])CNc1nccc(C(C)(C)C)n1 ZINC000309633177 170865402 /nfs/dbraw/zinc/86/54/02/170865402.db2.gz LFTMIPONMCSRBR-SECBINFHSA-N 1 0 222.336 1.923 10 0 BDAERO CC[C@@H]([NH2+]C)c1nnc([C@@H]2CCCOC2)o1 ZINC000062244013 170889566 /nfs/dbraw/zinc/88/95/66/170889566.db2.gz VKSCUSBKOHHAEC-RKDXNWHRSA-N 1 0 225.292 1.634 10 0 BDAERO CC[C@@H]([NH2+]CC(=O)N(C)CC)C(C)(C)C ZINC000309235341 170890227 /nfs/dbraw/zinc/89/02/27/170890227.db2.gz XLJDWOWJWMUNLI-SNVBAGLBSA-N 1 0 214.353 1.879 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662146313 412005918 /nfs/dbraw/zinc/00/59/18/412005918.db2.gz RDQMACSQYQMUAU-TUAOUCFPSA-N 1 0 215.337 1.098 10 0 BDAERO Nc1cc([C@H]2[NH2+]CCc3ccccc32)[nH]n1 ZINC000616583545 411950178 /nfs/dbraw/zinc/95/01/78/411950178.db2.gz DWDFPMRSTQUGCF-LBPRGKRZSA-N 1 0 214.272 1.227 10 0 BDAERO CC[C@@H]1CCCC[C@H]1OCC[C@H]([NH2+]C)C(N)=O ZINC000062543283 170971611 /nfs/dbraw/zinc/97/16/11/170971611.db2.gz VWJBHDHTQCASBV-GRYCIOLGSA-N 1 0 242.363 1.435 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]CCC[S@](C)=O)C1 ZINC000126880429 171041119 /nfs/dbraw/zinc/04/11/19/171041119.db2.gz RXGSPPYXLOHKCO-JTNHKYCSSA-N 1 0 217.378 1.923 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@H]2CCCC[NH2+]2)CCO1 ZINC000036770497 171065122 /nfs/dbraw/zinc/06/51/22/171065122.db2.gz FTDHFJITODRVKR-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO CC[C@@H]1CN(CCCn2ccnc2)[C@H](C)C[NH2+]1 ZINC000083364152 171082132 /nfs/dbraw/zinc/08/21/32/171082132.db2.gz LAWBPZMTGAJXGA-CHWSQXEVSA-N 1 0 236.363 1.346 10 0 BDAERO CC[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000020593554 171082878 /nfs/dbraw/zinc/08/28/78/171082878.db2.gz AEFHEVYEMXVCOD-QWHCGFSZSA-N 1 0 226.364 1.629 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccno1 ZINC000300404985 171099310 /nfs/dbraw/zinc/09/93/10/171099310.db2.gz UGKNJEMKOGKTFU-NEPJUHHUSA-N 1 0 235.331 1.733 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1Cc1cccs1 ZINC000082476499 171101644 /nfs/dbraw/zinc/10/16/44/171101644.db2.gz IYJQICOSOFJGCC-SNVBAGLBSA-N 1 0 210.346 1.932 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1c1ncc(C)s1 ZINC000083346780 171101908 /nfs/dbraw/zinc/10/19/08/171101908.db2.gz IVNKZYZGQWWONR-SECBINFHSA-N 1 0 211.334 1.640 10 0 BDAERO CC[C@@H]1COCCN1C1(C[NH3+])CCCCC1 ZINC000036325981 171105341 /nfs/dbraw/zinc/10/53/41/171105341.db2.gz PHTVPTLMJRMWDV-GFCCVEGCSA-N 1 0 226.364 1.759 10 0 BDAERO CC[C@@H]1COCCN1C[C@](C)([NH3+])C1CC1 ZINC000037479292 171105406 /nfs/dbraw/zinc/10/54/06/171105406.db2.gz KJBLXEWXBXNZGG-NEPJUHHUSA-N 1 0 212.337 1.225 10 0 BDAERO CC[C@@H]1COCCN1C[C@]1(CC)CCC[NH2+]C1 ZINC000062862117 171106402 /nfs/dbraw/zinc/10/64/02/171106402.db2.gz GGJDSFBMKOGBRQ-ZIAGYGMSSA-N 1 0 240.391 1.877 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1c1ncc(C[NH3+])s1 ZINC000054898161 171109518 /nfs/dbraw/zinc/10/95/18/171109518.db2.gz LAIVRABKESBATQ-DTWKUNHWSA-N 1 0 241.360 1.606 10 0 BDAERO CC[C@@]([NH3+])(CC(=O)OC)c1ccccc1 ZINC000086851374 171192993 /nfs/dbraw/zinc/19/29/93/171192993.db2.gz SVPHKEZQJRNOAB-GFCCVEGCSA-N 1 0 207.273 1.814 10 0 BDAERO CC[C@@]([NH2+]C(C)C)(C(N)=O)c1ccc(F)cc1 ZINC000037446462 171193273 /nfs/dbraw/zinc/19/32/73/171193273.db2.gz JWJKWQGWNIWMHV-ZDUSSCGKSA-N 1 0 238.306 1.914 10 0 BDAERO CC[C@@]1(C(=O)N[C@@H]2CCC[C@@H]2OC)CC[NH2+]C1 ZINC000062903301 171195846 /nfs/dbraw/zinc/19/58/46/171195846.db2.gz QANVODCSAWMZDN-NTZNESFSSA-N 1 0 240.347 1.060 10 0 BDAERO CC[C@@]1(C(=O)N2CCOC[C@H]2C)CCC[NH2+]C1 ZINC000062853881 171196450 /nfs/dbraw/zinc/19/64/50/171196450.db2.gz ODPDNXZCVBEEMQ-DGCLKSJQSA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@@]1(C(=O)N[C@H]2CCC[C@@H]2OC)CC[NH2+]C1 ZINC000062903306 171197179 /nfs/dbraw/zinc/19/71/79/171197179.db2.gz QANVODCSAWMZDN-GMXVVIOVSA-N 1 0 240.347 1.060 10 0 BDAERO CC[C@@]1(c2nnc3nc(C)cc(C)n32)CC[NH2+]C1 ZINC000062915483 171218165 /nfs/dbraw/zinc/21/81/65/171218165.db2.gz DLVPAXOUMXEACI-CYBMUJFWSA-N 1 0 245.330 1.382 10 0 BDAERO CC[C@H](C)C(=O)N[C@H]1c2ccccc2C[C@@H]1[NH3+] ZINC000104308282 171254990 /nfs/dbraw/zinc/25/49/90/171254990.db2.gz WIEOEJZJVHDQEV-XDTLVQLUSA-N 1 0 232.327 1.773 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000120443723 171280595 /nfs/dbraw/zinc/28/05/95/171280595.db2.gz KZEDPDMOSNGLPT-BFHYXJOUSA-N 1 0 242.407 1.810 10 0 BDAERO CC[C@H](C)C[C@@](CC)(C[NH3+])N1CC[NH+](C)CC1 ZINC000019423382 171297041 /nfs/dbraw/zinc/29/70/41/171297041.db2.gz OVOYMHDGPSQJII-KBPBESRZSA-N 1 0 241.423 1.778 10 0 BDAERO CC[C@@H](C)[NH2+]CC(=O)N(CCOC)[C@@H](C)CC ZINC000042591435 171314860 /nfs/dbraw/zinc/31/48/60/171314860.db2.gz YKLKOLZIRRFXLV-NEPJUHHUSA-N 1 0 244.379 1.648 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)[C@@H]([NH3+])CC(C)C ZINC000042591043 171315113 /nfs/dbraw/zinc/31/51/13/171315113.db2.gz SOLFAKICACQLEO-RYUDHWBXSA-N 1 0 244.379 1.633 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H]1CCCO1 ZINC000038014772 171322478 /nfs/dbraw/zinc/32/24/78/171322478.db2.gz QJACUZUUNXDQKB-WDEREUQCSA-N 1 0 228.336 1.060 10 0 BDAERO CC[C@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019484797 171335651 /nfs/dbraw/zinc/33/56/51/171335651.db2.gz RZPHXCBRGLPHOU-FIQHERPVSA-N 1 0 224.348 1.822 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000037394530 171339043 /nfs/dbraw/zinc/33/90/43/171339043.db2.gz YRVLJYRWTCNYPI-QWRGUYRKSA-N 1 0 212.337 1.776 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000037823976 171339642 /nfs/dbraw/zinc/33/96/42/171339642.db2.gz HKZXIVJKAKADOT-RYUDHWBXSA-N 1 0 249.358 1.989 10 0 BDAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc2c(c1)CCO2 ZINC000038065115 171345526 /nfs/dbraw/zinc/34/55/26/171345526.db2.gz JLAWKTCWMNRTRE-TVQRCGJNSA-N 1 0 248.326 1.536 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC(C)(C)CC ZINC000019471769 171369334 /nfs/dbraw/zinc/36/93/34/171369334.db2.gz RJDVAWRMLFJSPW-DTWKUNHWSA-N 1 0 200.326 1.665 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(CC)(CC)CO ZINC000226694206 171371365 /nfs/dbraw/zinc/37/13/65/171371365.db2.gz HGFQLHJDYYPTDH-WDEREUQCSA-N 1 0 244.379 1.275 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OC)nc1 ZINC000019474913 171372437 /nfs/dbraw/zinc/37/24/37/171372437.db2.gz LPYFNHPIOMNUMA-GZMMTYOYSA-N 1 0 237.303 1.402 10 0 BDAERO CC[C@H](C)[C@H](C[NH3+])N(CCOC)[C@@H](C)COC ZINC000042602970 171391859 /nfs/dbraw/zinc/39/18/59/171391859.db2.gz WBWSRJCQQMXQDN-AVGNSLFASA-N 1 0 246.395 1.343 10 0 BDAERO CC[C@H](C)[C@H](C[NH3+])N1CCOC(C)(C)C1 ZINC000036232194 171392136 /nfs/dbraw/zinc/39/21/36/171392136.db2.gz XGFRERHMUAHABB-QWRGUYRKSA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCOC2(CCC2)C1 ZINC000237011910 171393921 /nfs/dbraw/zinc/39/39/21/171393921.db2.gz WYEBIRQBGAQKIU-QWRGUYRKSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@@H](NC(=O)c1cccc2c1C[NH2+]C2)C1CC1 ZINC000662377778 412132069 /nfs/dbraw/zinc/13/20/69/412132069.db2.gz RFAWRHQXYNSZIH-SECBINFHSA-N 1 0 230.311 1.818 10 0 BDAERO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1cccs1 ZINC000662449232 412177398 /nfs/dbraw/zinc/17/73/98/412177398.db2.gz UAWBEMDYYDVCCW-IWSPIJDZSA-N 1 0 224.329 1.663 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662503440 412197545 /nfs/dbraw/zinc/19/75/45/412197545.db2.gz TXCUJKOBQAGATH-BDAKNGLRSA-N 1 0 208.305 1.173 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC000662408144 412153433 /nfs/dbraw/zinc/15/34/33/412153433.db2.gz LVFWXIHHBAIBRE-MNOVXSKESA-N 1 0 224.348 1.810 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@@H](O)C(F)(F)F ZINC000336747734 171541116 /nfs/dbraw/zinc/54/11/16/171541116.db2.gz XMXWOALRUDXTAP-BZNPZCIMSA-N 1 0 241.253 1.455 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccn(C)n1 ZINC000309999481 171548515 /nfs/dbraw/zinc/54/85/15/171548515.db2.gz DHHQSXVKVWGKDF-VWYCJHECSA-N 1 0 223.320 1.638 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@]1(C)CC1(F)F ZINC000662665334 412263641 /nfs/dbraw/zinc/26/36/41/412263641.db2.gz HZWYPEDYDDCJKJ-PSASIEDQSA-N 1 0 234.290 1.521 10 0 BDAERO C[C@]1(CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1(F)F ZINC000662665384 412264062 /nfs/dbraw/zinc/26/40/62/412264062.db2.gz INAIPWCCERLPHC-MNOVXSKESA-N 1 0 246.301 1.680 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000662667140 412266357 /nfs/dbraw/zinc/26/63/57/412266357.db2.gz YFBFFJOKAJPXMU-RHYQMDGZSA-N 1 0 224.348 1.666 10 0 BDAERO C[C@H]1[NH2+]CC[C@@H]1Nc1nc(Cl)cs1 ZINC000575550807 412272703 /nfs/dbraw/zinc/27/27/03/412272703.db2.gz WETRDUVYVSALTH-RITPCOANSA-N 1 0 217.725 1.959 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000662696553 412274082 /nfs/dbraw/zinc/27/40/82/412274082.db2.gz NRCUJUJUXXWVEI-GRYCIOLGSA-N 1 0 242.363 1.386 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@]1(C)CC1(C)C ZINC000662706304 412277737 /nfs/dbraw/zinc/27/77/37/412277737.db2.gz BQWGBXHMAOVOCZ-SKDRFNHKSA-N 1 0 212.337 1.665 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1=CCCC1 ZINC000662707260 412278663 /nfs/dbraw/zinc/27/86/63/412278663.db2.gz IAZUMHDULRQRHE-MWLCHTKSSA-N 1 0 210.321 1.586 10 0 BDAERO COc1cccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000662571466 412225058 /nfs/dbraw/zinc/22/50/58/412225058.db2.gz PGFORUDRHVMOOX-CABZTGNLSA-N 1 0 248.326 1.423 10 0 BDAERO CN(C)c1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000662609588 412239670 /nfs/dbraw/zinc/23/96/70/412239670.db2.gz ALHBABPAUUCMTA-UHFFFAOYSA-N 1 0 249.358 1.562 10 0 BDAERO FC(F)(F)c1ccncc1CN[C@@H]1CC[NH2+]C1 ZINC000665299268 412247524 /nfs/dbraw/zinc/24/75/24/412247524.db2.gz JRSWCTTUBUVJLY-SECBINFHSA-N 1 0 245.248 1.552 10 0 BDAERO C[C@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1cscn1 ZINC000662637267 412252603 /nfs/dbraw/zinc/25/26/03/412252603.db2.gz VCOCRZFLHDUAJH-BIIVOSGPSA-N 1 0 243.307 1.020 10 0 BDAERO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCC1 ZINC000662645219 412253778 /nfs/dbraw/zinc/25/37/78/412253778.db2.gz ALNDYMKXONHZGQ-JGPRNRPPSA-N 1 0 222.332 1.420 10 0 BDAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662855490 412325500 /nfs/dbraw/zinc/32/55/00/412325500.db2.gz VERMNHGZIMBQOK-WDEREUQCSA-N 1 0 242.363 1.163 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(F)F ZINC000662898089 412338703 /nfs/dbraw/zinc/33/87/03/412338703.db2.gz KLQDOSXVDQDVGT-NKWVEPMBSA-N 1 0 208.252 1.131 10 0 BDAERO CC[C@](C)([NH3+])c1noc(-c2ccon2)n1 ZINC000044587931 171696825 /nfs/dbraw/zinc/69/68/25/171696825.db2.gz KSWMYUXLABHTRS-VIFPVBQESA-N 1 0 208.221 1.309 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CC2(CCC2)C1 ZINC000662908137 412342659 /nfs/dbraw/zinc/34/26/59/412342659.db2.gz ZFLHAAFPJOGAQP-JQWIXIFHSA-N 1 0 236.359 1.810 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000339750735 171701296 /nfs/dbraw/zinc/70/12/96/171701296.db2.gz BZPOOPXNYOPBNP-RYUDHWBXSA-N 1 0 215.337 1.242 10 0 BDAERO CC(C)[C@H]([NH3+])CCNC(=O)CC(F)(F)F ZINC000662924676 412347219 /nfs/dbraw/zinc/34/72/19/412347219.db2.gz GXDFIORYRYUSCP-SSDOTTSWSA-N 1 0 226.242 1.428 10 0 BDAERO CCCOc1nccnc1N[C@H]1CC[NH2+]C1 ZINC000630509368 412360581 /nfs/dbraw/zinc/36/05/81/412360581.db2.gz XFSJKKDMBYHDGH-VIFPVBQESA-N 1 0 222.292 1.039 10 0 BDAERO CCCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662974980 412361950 /nfs/dbraw/zinc/36/19/50/412361950.db2.gz CJFXOPSRCFMDLZ-LURJTMIESA-N 1 0 212.215 1.135 10 0 BDAERO CC(C)[C@@H](C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662982583 412362470 /nfs/dbraw/zinc/36/24/70/412362470.db2.gz WDOXEAGDUDHBFU-SFYZADRCSA-N 1 0 240.269 1.627 10 0 BDAERO CCCc1nccnc1NC[C@H]1CCC[NH2+]1 ZINC000663269824 412403630 /nfs/dbraw/zinc/40/36/30/412403630.db2.gz CTJYPSWAWKWATN-SNVBAGLBSA-N 1 0 220.320 1.593 10 0 BDAERO Clc1cnc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000663274303 412404316 /nfs/dbraw/zinc/40/43/16/412404316.db2.gz OMISQNXCLXTKGI-UHFFFAOYSA-N 1 0 224.695 1.294 10 0 BDAERO CC(C)[C@H]([NH3+])CCNc1ncc(Cl)cn1 ZINC000663275776 412405293 /nfs/dbraw/zinc/40/52/93/412405293.db2.gz DCRNBSUKICBRCL-SECBINFHSA-N 1 0 228.727 1.915 10 0 BDAERO CC(C)[C@H]([NH3+])CCNc1ccnc2cccnc21 ZINC000663275676 412405424 /nfs/dbraw/zinc/40/54/24/412405424.db2.gz MTDCVRGKHKNPBM-LLVKDONJSA-N 1 0 244.342 1.837 10 0 BDAERO CCCc1nsc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663275621 412405570 /nfs/dbraw/zinc/40/55/70/412405570.db2.gz LVGDEDKFIMAZJE-UHFFFAOYSA-N 1 0 238.360 1.655 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ncc(Br)cn1 ZINC000663278849 412407237 /nfs/dbraw/zinc/40/72/37/412407237.db2.gz MUEQYRLGORTKRY-LURJTMIESA-N 1 0 245.124 1.259 10 0 BDAERO CCc1ccc(OC)c(C[NH2+][C@@H](C)CO)c1 ZINC000098124827 171825358 /nfs/dbraw/zinc/82/53/58/171825358.db2.gz OAHDLARBUQMNAI-JTQLQIEISA-N 1 0 223.316 1.728 10 0 BDAERO CCc1ccc([C@@H]([NH3+])[C@H](C)S(C)(=O)=O)cc1 ZINC000054930122 171834701 /nfs/dbraw/zinc/83/47/01/171834701.db2.gz KWBTXEQOVCMVEU-CABZTGNLSA-N 1 0 241.356 1.682 10 0 BDAERO CCc1ccc([C@H](O)CN2CC[NH2+]CC2)cc1 ZINC000020264130 171843427 /nfs/dbraw/zinc/84/34/27/171843427.db2.gz KBRLMIFHZGRZCV-CQSZACIVSA-N 1 0 234.343 1.188 10 0 BDAERO CCc1cn2c(C[C@H](C)[NH3+])csc2n1 ZINC000076782664 171907776 /nfs/dbraw/zinc/90/77/76/171907776.db2.gz SVTUMNPPSRYFAZ-ZETCQYMHSA-N 1 0 209.318 1.848 10 0 BDAERO CCc1nc(CC[NH2+][C@H](C)C2CCC2)no1 ZINC000336755806 171969978 /nfs/dbraw/zinc/96/99/78/171969978.db2.gz GLYXCRMDOLCFOX-SECBINFHSA-N 1 0 223.320 1.953 10 0 BDAERO CCc1nc(CC[NH2+][C@H](C)[C@H](C)OC)no1 ZINC000129291910 171970034 /nfs/dbraw/zinc/97/00/34/171970034.db2.gz BOEUFLNNFQFIHB-BDAKNGLRSA-N 1 0 227.308 1.188 10 0 BDAERO CCc1nc([C@@H]([NH3+])C2CCOCC2)no1 ZINC000052179571 172003111 /nfs/dbraw/zinc/00/31/11/172003111.db2.gz ODCBSPWMQBORCO-VIFPVBQESA-N 1 0 211.265 1.058 10 0 BDAERO CCc1nnc([C@@H]([NH3+])C2CCCCC2)[nH]1 ZINC000048630859 172003237 /nfs/dbraw/zinc/00/32/37/172003237.db2.gz BDQHGNJRWRPFES-JTQLQIEISA-N 1 0 208.309 1.947 10 0 BDAERO CCc1nc([C@]2(N)CCc3ccccc32)no1 ZINC000036762570 172009637 /nfs/dbraw/zinc/00/96/37/172009637.db2.gz IZOCOUQZNCREJV-ZDUSSCGKSA-N 1 0 229.283 1.781 10 0 BDAERO CCc1nc2ccccc2n1C[C@@H](O)C[NH2+]C ZINC000062807648 172014408 /nfs/dbraw/zinc/01/44/08/172014408.db2.gz HRQGWTIFLLRDPN-JTQLQIEISA-N 1 0 233.315 1.179 10 0 BDAERO CCc1nccn1[C@@H]1CCC[N@H+](CCOC)C1 ZINC000105897092 172029078 /nfs/dbraw/zinc/02/90/78/172029078.db2.gz MGSMNAMIXDWZQB-GFCCVEGCSA-N 1 0 237.347 1.729 10 0 BDAERO CCn1cc(C[N@@H+]2CCC[C@H](O)[C@H]2C)cn1 ZINC000295051348 172164685 /nfs/dbraw/zinc/16/46/85/172164685.db2.gz PPBBAUYNTHYPKG-PWSUYJOCSA-N 1 0 223.320 1.248 10 0 BDAERO CCn1cc(C[NH2+][C@H]2CN3CCC2CC3)cn1 ZINC000050539452 172175895 /nfs/dbraw/zinc/17/58/95/172175895.db2.gz YWPGXIWCMVATMP-ZDUSSCGKSA-N 1 0 234.347 1.087 10 0 BDAERO CCn1cc(N2CC[C@@H]([NH2+]C)[C@H](C)C2)cn1 ZINC000049711226 172178243 /nfs/dbraw/zinc/17/82/43/172178243.db2.gz CDHIUWOOFAEQLS-ZYHUDNBSSA-N 1 0 222.336 1.337 10 0 BDAERO CCn1cc([C@@H](C)N2CCC([NH3+])CC2)cn1 ZINC000044500873 172193007 /nfs/dbraw/zinc/19/30/07/172193007.db2.gz FCTRTSWFMDZRLA-SNVBAGLBSA-N 1 0 222.336 1.387 10 0 BDAERO CCn1cc([C@@H]([NH2+]C)c2cc(C)ccn2)cn1 ZINC000104414299 172193955 /nfs/dbraw/zinc/19/39/55/172193955.db2.gz JETQMYGYOGXEGO-CYBMUJFWSA-N 1 0 230.315 1.915 10 0 BDAERO CCn1cccc1C[NH2+]CCc1cnn(C)c1 ZINC000128068376 172208205 /nfs/dbraw/zinc/20/82/05/172208205.db2.gz AUARJIXNLARURC-UHFFFAOYSA-N 1 0 232.331 1.574 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000091025264 172209108 /nfs/dbraw/zinc/20/91/08/172209108.db2.gz WKAWLZWJNWHATQ-LBPRGKRZSA-N 1 0 232.331 1.883 10 0 BDAERO CCn1cccc1C[NH2+][C@@](C)(CC)CO ZINC000085609853 172209697 /nfs/dbraw/zinc/20/96/97/172209697.db2.gz PKJIVXAZQGTICV-LBPRGKRZSA-N 1 0 210.321 1.759 10 0 BDAERO CCn1ccnc1C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000303990232 172219507 /nfs/dbraw/zinc/21/95/07/172219507.db2.gz LCSPOGBAHJFJCQ-NEPJUHHUSA-N 1 0 237.347 1.638 10 0 BDAERO CCn1ccnc1N1CCCC[C@H]1C[NH3+] ZINC000050614398 172225604 /nfs/dbraw/zinc/22/56/04/172225604.db2.gz RYESGDBRBDWXIM-JTQLQIEISA-N 1 0 208.309 1.221 10 0 BDAERO CCn1nc(C)c([C@H](C)[NH2+]CCOC)c1C ZINC000045166926 172249131 /nfs/dbraw/zinc/24/91/31/172249131.db2.gz NYICGYDVJWDHIY-VIFPVBQESA-N 1 0 225.336 1.817 10 0 BDAERO CN(C(=O)C1C2CC3CC(C2)CC1C3)C1C[NH2+]C1 ZINC000160549045 172297792 /nfs/dbraw/zinc/29/77/92/172297792.db2.gz FFAMLEPUJHXRNB-UHFFFAOYSA-N 1 0 248.370 1.489 10 0 BDAERO CN(C(=O)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000037470156 172299447 /nfs/dbraw/zinc/29/94/47/172299447.db2.gz NMFQTQVAXMWFTC-GFCCVEGCSA-N 1 0 224.348 1.777 10 0 BDAERO CN(C(=O)C1C[NH2+]C1)C1C2CC3CC(C2)CC1C3 ZINC000091408286 172299927 /nfs/dbraw/zinc/29/99/27/172299927.db2.gz HANABAVCIJOJBR-UHFFFAOYSA-N 1 0 248.370 1.489 10 0 BDAERO CN(C(=O)C[NH2+]C1CCCC1)C1CCOCC1 ZINC000037626488 172309349 /nfs/dbraw/zinc/30/93/49/172309349.db2.gz FZJZKYJQSHFONJ-UHFFFAOYSA-N 1 0 240.347 1.156 10 0 BDAERO CN(C(=O)Nc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000037541704 172324083 /nfs/dbraw/zinc/32/40/83/172324083.db2.gz PTEGSIXGJVQDDY-LBPRGKRZSA-N 1 0 233.315 1.902 10 0 BDAERO CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CCCC1 ZINC000055086988 172333453 /nfs/dbraw/zinc/33/34/53/172333453.db2.gz FIFKJBPILHRAOO-RYUDHWBXSA-N 1 0 224.348 1.905 10 0 BDAERO CN(C)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107722555 172377637 /nfs/dbraw/zinc/37/76/37/172377637.db2.gz JTMQMXVBFUEZJH-LBPRGKRZSA-N 1 0 239.363 1.618 10 0 BDAERO CN(C)C(=O)[C@@H](C[NH3+])Cc1ccc(F)cc1F ZINC000050304583 172383871 /nfs/dbraw/zinc/38/38/71/172383871.db2.gz CKBOJVNOEQUZBC-SECBINFHSA-N 1 0 242.269 1.170 10 0 BDAERO CN(C)CC[NH2+]CCOc1ccc(F)cc1 ZINC000041247236 172464710 /nfs/dbraw/zinc/46/47/10/172464710.db2.gz GSCQLAIZIOGOAE-UHFFFAOYSA-N 1 0 226.295 1.356 10 0 BDAERO CN(C)Nc1[nH+]cnc(NCc2ccco2)c1N ZINC000040759918 172509175 /nfs/dbraw/zinc/50/91/75/172509175.db2.gz BRDKCSIQBQVVTK-UHFFFAOYSA-N 1 0 248.290 1.152 10 0 BDAERO CN(CC(=O)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000095070696 172620269 /nfs/dbraw/zinc/62/02/69/172620269.db2.gz GUEJWYDKTNEQFA-JTQLQIEISA-N 1 0 238.356 1.615 10 0 BDAERO CN(CC1CC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309850 172649419 /nfs/dbraw/zinc/64/94/19/172649419.db2.gz LLJZHDVWUDLPGD-GHMZBOCLSA-N 1 0 210.321 1.230 10 0 BDAERO C[N@H+](Cc1ccc(C(N)=O)cc1N)C1CCCC1 ZINC000037273253 172848747 /nfs/dbraw/zinc/84/87/47/172848747.db2.gz GDUCTSGCZKRANJ-UHFFFAOYSA-N 1 0 247.342 1.742 10 0 BDAERO CN(c1cccnn1)C1CC[NH+](CC2CC2)CC1 ZINC000156142447 172951000 /nfs/dbraw/zinc/95/10/00/172951000.db2.gz YQQTVGGSXDGZST-UHFFFAOYSA-N 1 0 246.358 1.787 10 0 BDAERO C[N@@H+](c1ccncc1)n1ccc(C=O)c1 ZINC000013746002 172952085 /nfs/dbraw/zinc/95/20/85/172952085.db2.gz BIYQWVBDNXLOCF-UHFFFAOYSA-N 1 0 201.229 1.595 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]Cc1cnccn1 ZINC000054766705 173003835 /nfs/dbraw/zinc/00/38/35/173003835.db2.gz BTLCRIHFQLMMIK-GFCCVEGCSA-N 1 0 220.320 1.051 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000054239849 173004249 /nfs/dbraw/zinc/00/42/49/173004249.db2.gz DYADKOGVCSBPHK-OTTFEQOBSA-N 1 0 226.364 1.364 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1C1=NO[C@@H]2NCCCC=C12 ZINC000215988089 173004826 /nfs/dbraw/zinc/00/48/26/173004826.db2.gz NAJXCLWLRGXTNF-YPMHNXCESA-N 1 0 235.331 1.493 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccc[nH]1 ZINC000051789654 173006176 /nfs/dbraw/zinc/00/61/76/173006176.db2.gz SYKZENZYGXJSII-GFCCVEGCSA-N 1 0 207.321 1.589 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]CC1CCOCC1 ZINC000052172569 173010618 /nfs/dbraw/zinc/01/06/18/173010618.db2.gz CRPOROUUUGILQN-ZDUSSCGKSA-N 1 0 226.364 1.487 10 0 BDAERO CN1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062569208 173019391 /nfs/dbraw/zinc/01/93/91/173019391.db2.gz NCXCSRLTYBSEOD-CYBMUJFWSA-N 1 0 204.317 1.523 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ncnc(Cl)c2N)C1 ZINC000062363091 173023261 /nfs/dbraw/zinc/02/32/61/173023261.db2.gz SKXQSUCOXLYPRL-SSDOTTSWSA-N 1 0 241.726 1.218 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2ccccc2CO)C1 ZINC000075906584 173023946 /nfs/dbraw/zinc/02/39/46/173023946.db2.gz JBRRIMDKASIAEI-LLVKDONJSA-N 1 0 205.301 1.988 10 0 BDAERO C[N@@H+]1CCC[C@H](CNc2ncccc2N)C1 ZINC000044535715 173041456 /nfs/dbraw/zinc/04/14/56/173041456.db2.gz ODSXCGFVZIXCHC-SNVBAGLBSA-N 1 0 220.320 1.418 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ncnc(Cl)c2N)C1 ZINC000062363087 173046578 /nfs/dbraw/zinc/04/65/78/173046578.db2.gz SKXQSUCOXLYPRL-ZETCQYMHSA-N 1 0 241.726 1.218 10 0 BDAERO C[N@@H+]1CCC[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000075906439 173049146 /nfs/dbraw/zinc/04/91/46/173049146.db2.gz JLHTYNBOAKNERX-LBPRGKRZSA-N 1 0 218.300 1.595 10 0 BDAERO C[N@@H+]1CCC[C@]12CCN(c1cncnc1)C2 ZINC000038867540 173062233 /nfs/dbraw/zinc/06/22/33/173062233.db2.gz POUAXVXKENTAMN-GFCCVEGCSA-N 1 0 218.304 1.151 10 0 BDAERO CN1CC[NH+](CCc2ccccc2N)CC1 ZINC000019623925 173083507 /nfs/dbraw/zinc/08/35/07/173083507.db2.gz FJVCBGXCCACEKD-UHFFFAOYSA-N 1 0 219.332 1.059 10 0 BDAERO CN1CCN(Cc2ccc(C[NH3+])cc2)C1=O ZINC000052885468 173088153 /nfs/dbraw/zinc/08/81/53/173088153.db2.gz HQAYHEOETJXJQI-UHFFFAOYSA-N 1 0 219.288 1.013 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccnc(Cl)n2)C1 ZINC000051849795 173125838 /nfs/dbraw/zinc/12/58/38/173125838.db2.gz SDLODRVEUGOJJK-SSDOTTSWSA-N 1 0 212.684 1.246 10 0 BDAERO CN1CCO[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000308940998 173106727 /nfs/dbraw/zinc/10/67/27/173106727.db2.gz MFKHPROEGLMMMM-LLVKDONJSA-N 1 0 212.337 1.095 10 0 BDAERO C[N@@H+]1CCO[C@H](Cn2ccc3ccccc32)C1 ZINC000034432663 173108567 /nfs/dbraw/zinc/10/85/67/173108567.db2.gz DEAHIWKXNZNZPP-ZDUSSCGKSA-N 1 0 230.311 1.972 10 0 BDAERO CN(C)c1ccc(N[C@@H]2CC[N@H+](C)C2)cn1 ZINC000061985454 173126338 /nfs/dbraw/zinc/12/63/38/173126338.db2.gz LXQYHEDGKRADLB-LLVKDONJSA-N 1 0 220.320 1.264 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2nccnc2Cl)C1 ZINC000043538037 173127021 /nfs/dbraw/zinc/12/70/21/173127021.db2.gz PCHJPXGICIITIO-SSDOTTSWSA-N 1 0 212.684 1.246 10 0 BDAERO C[N@@H+]1CC[C@@]2(CCCN2c2cccnc2)C1 ZINC000090504965 173137336 /nfs/dbraw/zinc/13/73/36/173137336.db2.gz LZPRBZUMUFPWFX-ZDUSSCGKSA-N 1 0 217.316 1.756 10 0 BDAERO C[N@@H+]1CC[C@H](NC(=O)CCc2ccccc2N)C1 ZINC000042550073 173150864 /nfs/dbraw/zinc/15/08/64/173150864.db2.gz BKORHAPVIPYBLF-LBPRGKRZSA-N 1 0 247.342 1.022 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc(N)c3cccnc23)C1 ZINC000042545024 173154419 /nfs/dbraw/zinc/15/44/19/173154419.db2.gz UNNGXAKLCQSPCN-JTQLQIEISA-N 1 0 242.326 1.933 10 0 BDAERO C[N@@H+]1CC[C@](CO)(Nc2ccc(F)cc2)C1 ZINC000061992113 173162346 /nfs/dbraw/zinc/16/23/46/173162346.db2.gz JSHZQFKPDCYCEU-LBPRGKRZSA-N 1 0 224.279 1.304 10 0 BDAERO CN1Cc2cc(Cl)ccc2[C@@H](C[NH3+])C1 ZINC000057496434 173199005 /nfs/dbraw/zinc/19/90/05/173199005.db2.gz CJPDTBOSQCVPNH-VIFPVBQESA-N 1 0 210.708 1.828 10 0 BDAERO CNC(=O)CCn1cc(CC[NH3+])c2ccccc21 ZINC000062950720 173264623 /nfs/dbraw/zinc/26/46/23/173264623.db2.gz SVVJMIKSFTYCPD-UHFFFAOYSA-N 1 0 245.326 1.279 10 0 BDAERO CNC(=O)CN(C)[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042908336 173268835 /nfs/dbraw/zinc/26/88/35/173268835.db2.gz LGFTXNCXLYAKMR-RISCZKNCSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)C[NH2+]Cc1c[nH]c2ccccc12 ZINC000048462791 173277066 /nfs/dbraw/zinc/27/70/66/173277066.db2.gz CCUCRBMHMQDYLF-UHFFFAOYSA-N 1 0 217.272 1.004 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518775 173277921 /nfs/dbraw/zinc/27/79/21/173277921.db2.gz GTUOXFHTZJQHLW-LURJTMIESA-N 1 0 227.333 1.157 10 0 BDAERO CNC(=O)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518774 173278435 /nfs/dbraw/zinc/27/84/35/173278435.db2.gz GTUOXFHTZJQHLW-ZCFIWIBFSA-N 1 0 227.333 1.157 10 0 BDAERO CNC(=O)C[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000041226574 173283276 /nfs/dbraw/zinc/28/32/76/173283276.db2.gz ZBTAECVWRUDJLB-VIFPVBQESA-N 1 0 212.680 1.476 10 0 BDAERO CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000189333422 173291486 /nfs/dbraw/zinc/29/14/86/173291486.db2.gz TZXLIURVGSNPKO-NSHDSACASA-N 1 0 221.304 1.218 10 0 BDAERO CNC(=O)Oc1ccc(C)cc1C[NH+](C)C ZINC000001998796 173293435 /nfs/dbraw/zinc/29/34/35/173293435.db2.gz OZWMOHURTVFKKR-UHFFFAOYSA-N 1 0 222.288 1.775 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000042570024 173294990 /nfs/dbraw/zinc/29/49/90/173294990.db2.gz DCBHFKXACZQHQE-SNVBAGLBSA-N 1 0 243.310 1.459 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000038010889 173295074 /nfs/dbraw/zinc/29/50/74/173295074.db2.gz OZCYOJUKVJPOCI-SNVBAGLBSA-N 1 0 236.315 1.057 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000042213227 173302377 /nfs/dbraw/zinc/30/23/77/173302377.db2.gz DKWUFQPWIFWNAP-MNOVXSKESA-N 1 0 220.316 1.514 10 0 BDAERO CNC(=O)[C@H](Nc1cc[nH+]c(C)c1)C(C)C ZINC000302484857 173305441 /nfs/dbraw/zinc/30/54/41/173305441.db2.gz RVBNBYPMKYJNDA-LLVKDONJSA-N 1 0 221.304 1.573 10 0 BDAERO CNC(=O)c1ccc(OC2CC2)c(C[NH3+])c1 ZINC000095737913 173311063 /nfs/dbraw/zinc/31/10/63/173311063.db2.gz JFNBZWPNLYSXSS-UHFFFAOYSA-N 1 0 220.272 1.046 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCc2sccc2C1 ZINC000061300035 173318191 /nfs/dbraw/zinc/31/81/91/173318191.db2.gz HXBOGYMZEAYKIP-UHFFFAOYSA-N 1 0 238.356 1.631 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCc2ccccc21 ZINC000061300213 173318459 /nfs/dbraw/zinc/31/84/59/173318459.db2.gz CAMFXHBKNOLZST-UHFFFAOYSA-N 1 0 218.300 1.574 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1cccc(F)c1 ZINC000061300337 173318738 /nfs/dbraw/zinc/31/87/38/173318738.db2.gz QEVZTQBAMJUNHS-UHFFFAOYSA-N 1 0 224.279 1.440 10 0 BDAERO C[NH2+]C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000037469275 173322860 /nfs/dbraw/zinc/32/28/60/173322860.db2.gz RYFCWJDQCYNDLP-UHFFFAOYSA-N 1 0 213.325 1.178 10 0 BDAERO C[NH2+]C1CCN(C(=O)C2[C@@H]3CCCC[C@H]23)CC1 ZINC000132708792 173323303 /nfs/dbraw/zinc/32/33/03/173323303.db2.gz MVIWHSSFOHVLNW-FUNVUKJBSA-N 1 0 236.359 1.633 10 0 BDAERO C[NH2+]CC(=O)N(Cc1cccc(C)c1)C1CC1 ZINC000037807765 173325170 /nfs/dbraw/zinc/32/51/70/173325170.db2.gz LWMGRUJXMIXDIV-UHFFFAOYSA-N 1 0 232.327 1.705 10 0 BDAERO C[NH2+]CC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000193131073 173326817 /nfs/dbraw/zinc/32/68/17/173326817.db2.gz DZXDBSSAYVVWMX-LLVKDONJSA-N 1 0 236.315 1.861 10 0 BDAERO C[NH2+]CC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000193131619 173327689 /nfs/dbraw/zinc/32/76/89/173327689.db2.gz PLOQJELBYCXOML-QWRGUYRKSA-N 1 0 236.315 1.799 10 0 BDAERO C[NH2+]CC(=O)NCCOc1cccc(C)c1C ZINC000077372674 173328461 /nfs/dbraw/zinc/32/84/61/173328461.db2.gz FEMVMGGCEYAMAU-UHFFFAOYSA-N 1 0 236.315 1.018 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](CCOC)c1ccc(C)o1 ZINC000262743541 173331871 /nfs/dbraw/zinc/33/18/71/173331871.db2.gz KFJPJNDAOHAMGB-JTQLQIEISA-N 1 0 240.303 1.001 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(C)c2ncccc12 ZINC000037044605 173333529 /nfs/dbraw/zinc/33/35/29/173333529.db2.gz RTOXJCAVPGFROT-UHFFFAOYSA-N 1 0 229.283 1.701 10 0 BDAERO C[NH2+]CC(=O)c1ccc(C)c(Cl)c1O ZINC000082966718 173336282 /nfs/dbraw/zinc/33/62/82/173336282.db2.gz JNCDCCPPIWTSBD-UHFFFAOYSA-N 1 0 213.664 1.756 10 0 BDAERO C[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000053739717 173337540 /nfs/dbraw/zinc/33/75/40/173337540.db2.gz GBDZDRVPIDZCLA-UHFFFAOYSA-N 1 0 221.300 1.955 10 0 BDAERO C[NH2+]CCCC(=O)Nc1ccc(OC)c(C)c1 ZINC000049532022 173345091 /nfs/dbraw/zinc/34/50/91/173345091.db2.gz RHXZMCDRURYRJJ-UHFFFAOYSA-N 1 0 236.315 1.942 10 0 BDAERO C[NH2+]CCCCc1ccc(OC)c(N)c1 ZINC000049814299 173346027 /nfs/dbraw/zinc/34/60/27/173346027.db2.gz GGCSPKDAZCUYBR-UHFFFAOYSA-N 1 0 208.305 1.820 10 0 BDAERO C[NH2+]CCCCn1c(=O)cnc2ccccc21 ZINC000053523874 173346529 /nfs/dbraw/zinc/34/65/29/173346529.db2.gz RRNVJNBFNOPRLN-UHFFFAOYSA-N 1 0 231.299 1.396 10 0 BDAERO C[NH2+]CCCN(C)c1ccc(C(C)=O)cc1 ZINC000077331220 173347554 /nfs/dbraw/zinc/34/75/54/173347554.db2.gz XJSRTXOWSVEDGM-UHFFFAOYSA-N 1 0 220.316 1.935 10 0 BDAERO C[NH2+]CCCOCc1ccc2c(c1)CCO2 ZINC000077332463 173349651 /nfs/dbraw/zinc/34/96/51/173349651.db2.gz YBAZCTJVHUFRIN-UHFFFAOYSA-N 1 0 221.300 1.748 10 0 BDAERO C[NH2+]CCCc1cc(OC)cc(OC)c1 ZINC000082630730 173350463 /nfs/dbraw/zinc/35/04/63/173350463.db2.gz USHPAVUOLNECHS-UHFFFAOYSA-N 1 0 209.289 1.856 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc2nc(C)oc2c1 ZINC000077418229 173353082 /nfs/dbraw/zinc/35/30/82/173353082.db2.gz BJGGGUIGTQXBSU-UHFFFAOYSA-N 1 0 247.342 1.830 10 0 BDAERO C[NH2+]CCNC(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000237080176 173355424 /nfs/dbraw/zinc/35/54/24/173355424.db2.gz ICMVKROSRNEEBY-STQMWFEESA-N 1 0 232.327 1.434 10 0 BDAERO C[NH2+]CCNc1cccc(C(=O)OC)c1 ZINC000077301772 173356883 /nfs/dbraw/zinc/35/68/83/173356883.db2.gz JSKLEZFHQLZWHT-UHFFFAOYSA-N 1 0 208.261 1.105 10 0 BDAERO C[NH2+]CCOCCc1ccc(F)c(F)c1 ZINC000077306951 173356908 /nfs/dbraw/zinc/35/69/08/173356908.db2.gz XGJFNYNGXLIQCJ-UHFFFAOYSA-N 1 0 215.243 1.743 10 0 BDAERO C[NH2+]CCOCCc1ccc2c(c1)CCC(=O)N2 ZINC000077423645 173356916 /nfs/dbraw/zinc/35/69/16/173356916.db2.gz JDRQXOAWGPNWFG-UHFFFAOYSA-N 1 0 248.326 1.350 10 0 BDAERO C[NH2+]CCOCCc1ccc2oc(C)nc2c1 ZINC000077369308 173357120 /nfs/dbraw/zinc/35/71/20/173357120.db2.gz WUUJEDQYNBCDST-UHFFFAOYSA-N 1 0 234.299 1.915 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1ccc(C)cc1 ZINC000077334575 173359002 /nfs/dbraw/zinc/35/90/02/173359002.db2.gz ZCGDSDAMXHCUDN-ZDUSSCGKSA-N 1 0 222.332 1.402 10 0 BDAERO C[NH2+]CCc1nc2cccc(Cl)c2n1C ZINC000043598812 173361244 /nfs/dbraw/zinc/36/12/44/173361244.db2.gz PAFJETZEYPABNU-UHFFFAOYSA-N 1 0 223.707 1.989 10 0 BDAERO C[NH2+]CCc1noc(-c2sccc2C)n1 ZINC000051850842 173361896 /nfs/dbraw/zinc/36/18/96/173361896.db2.gz RGDYDEZTPJWSPN-UHFFFAOYSA-N 1 0 223.301 1.868 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1cc(C)cc2ncnn21 ZINC000051867686 173365082 /nfs/dbraw/zinc/36/50/82/173365082.db2.gz IMSNZUQFKZJDGA-SECBINFHSA-N 1 0 220.276 1.024 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1cccc(OC)c1 ZINC000019865163 173365451 /nfs/dbraw/zinc/36/54/51/173365451.db2.gz YYLTWJFQGIMXCL-SECBINFHSA-N 1 0 227.329 1.368 10 0 BDAERO C[NH2+]C[C@@H](O)c1cccc(OCC(C)C)c1 ZINC000032014614 173366393 /nfs/dbraw/zinc/36/63/93/173366393.db2.gz HLEHDNZOHJUDRJ-CYBMUJFWSA-N 1 0 223.316 1.974 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(Br)s1 ZINC000041268711 173366510 /nfs/dbraw/zinc/36/65/10/173366510.db2.gz ASROCOMDVJORSC-RXMQYKEDSA-N 1 0 236.134 1.763 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000098210291 173369667 /nfs/dbraw/zinc/36/96/67/173369667.db2.gz IHKBPCQCLHTOOZ-RYUDHWBXSA-N 1 0 205.305 1.294 10 0 BDAERO C[NH2+]C[C@@](C)(O)Cc1ccccc1OC ZINC000019684502 173372145 /nfs/dbraw/zinc/37/21/45/173372145.db2.gz LNZFFOQIUZLGLM-LBPRGKRZSA-N 1 0 209.289 1.208 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1cc(C)ccc1OC ZINC000011803611 173372585 /nfs/dbraw/zinc/37/25/85/173372585.db2.gz UHHMZBYYULZHCH-GFCCVEGCSA-N 1 0 209.289 1.431 10 0 BDAERO C[NH2+]C[C@@]1(Cc2cccs2)CCOC1 ZINC000054663765 173373564 /nfs/dbraw/zinc/37/35/64/173373564.db2.gz KPLRRMSPPXSFNN-NSHDSACASA-N 1 0 211.330 1.917 10 0 BDAERO C[NH2+]C[C@H](C)COc1cc(OC)cc(OC)c1 ZINC000041282146 173375654 /nfs/dbraw/zinc/37/56/54/173375654.db2.gz YKSHXJDITIGTOR-JTQLQIEISA-N 1 0 239.315 1.938 10 0 BDAERO C[NH2+]C[C@H](C)Oc1nncc2ccccc21 ZINC000051867555 173375971 /nfs/dbraw/zinc/37/59/71/173375971.db2.gz GDTMEZUBBMAMJC-VIFPVBQESA-N 1 0 217.272 1.617 10 0 BDAERO C[NH2+]C[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000052592708 173376155 /nfs/dbraw/zinc/37/61/55/173376155.db2.gz NVLWVVJBDWXIQD-LURJTMIESA-N 1 0 207.199 1.682 10 0 BDAERO C[NH2+]C[C@H](O)COC1CCC(C)CC1 ZINC000019864902 173376634 /nfs/dbraw/zinc/37/66/34/173376634.db2.gz UCBSXIMGCWJMNB-YVNMAJEFSA-N 1 0 201.310 1.162 10 0 BDAERO C[NH2+]C[C@H](O)Cc1ccccc1Br ZINC000071558635 173376875 /nfs/dbraw/zinc/37/68/75/173376875.db2.gz ZDGWJRHDBAKBAP-SECBINFHSA-N 1 0 244.132 1.572 10 0 BDAERO C[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000019864657 173376930 /nfs/dbraw/zinc/37/69/30/173376930.db2.gz MUEZUOPTGKBMCM-NSHDSACASA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2ccc(F)cc2OC)C1 ZINC000053032971 173381528 /nfs/dbraw/zinc/38/15/28/173381528.db2.gz VPXQNAQYCNSHDQ-SNVBAGLBSA-N 1 0 238.306 1.880 10 0 BDAERO C[NH2+]C[C@H]1CC[C@@H](COc2ccccc2F)O1 ZINC000052663891 173382695 /nfs/dbraw/zinc/38/26/95/173382695.db2.gz MMSBOQBAYXRZBM-MNOVXSKESA-N 1 0 239.290 1.972 10 0 BDAERO C[NH2+]C[C@](C)(O)c1cc(F)ccc1F ZINC000036157371 173383580 /nfs/dbraw/zinc/38/35/80/173383580.db2.gz HPWVSQZZPRVTIL-JTQLQIEISA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1-n1cc(Cl)cn1 ZINC000038053861 173383966 /nfs/dbraw/zinc/38/39/66/173383966.db2.gz DGKMBLHVVQGNAP-UHFFFAOYSA-N 1 0 239.710 1.287 10 0 BDAERO C[NH2+]Cc1cc(C)nc(-c2ccco2)n1 ZINC000054830910 173386067 /nfs/dbraw/zinc/38/60/67/173386067.db2.gz ISJDCPUYJZIEGL-UHFFFAOYSA-N 1 0 203.245 1.764 10 0 BDAERO C[NH2+]Cc1cc(OC)ccc1OCCCOC ZINC000037753401 173386794 /nfs/dbraw/zinc/38/67/94/173386794.db2.gz JFQAUOKFAULNDA-UHFFFAOYSA-N 1 0 239.315 1.830 10 0 BDAERO C[NH2+]Cc1ccc(OCCc2ccccn2)nn1 ZINC000051543226 173388864 /nfs/dbraw/zinc/38/88/64/173388864.db2.gz STHJZRVMDRPMNF-UHFFFAOYSA-N 1 0 244.298 1.213 10 0 BDAERO C[NH2+]Cc1ccc(OCCCOC)c(OC)c1 ZINC000037753451 173389209 /nfs/dbraw/zinc/38/92/09/173389209.db2.gz BQPFQKWHRXYTTR-UHFFFAOYSA-N 1 0 239.315 1.830 10 0 BDAERO C[NH2+]Cc1cccc(OCC(=O)N2CCCC2)c1 ZINC000034816132 173389457 /nfs/dbraw/zinc/38/94/57/173389457.db2.gz UGDPZRGYAHWQAZ-UHFFFAOYSA-N 1 0 248.326 1.407 10 0 BDAERO C[NH2+]Cc1ccccc1OCCC(=O)N(C)C ZINC000037897609 173390504 /nfs/dbraw/zinc/39/05/04/173390504.db2.gz OZSFDUZLCXPVDW-UHFFFAOYSA-N 1 0 236.315 1.263 10 0 BDAERO C[NH2+]Cc1cn(C)nc1-c1ccccc1OC ZINC000031886983 173391163 /nfs/dbraw/zinc/39/11/63/173391163.db2.gz IJSVIRUMZWGVBQ-UHFFFAOYSA-N 1 0 231.299 1.815 10 0 BDAERO C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000020441714 173392325 /nfs/dbraw/zinc/39/23/25/173392325.db2.gz USUKWYKDDCVCGW-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1cnc(N2CC[C@H](C)C2)s1 ZINC000054905901 173392389 /nfs/dbraw/zinc/39/23/89/173392389.db2.gz QIIHFKARUCXBCB-QMMMGPOBSA-N 1 0 211.334 1.709 10 0 BDAERO C[NH2+]Cc1cnc(N(C)C2CCOCC2)s1 ZINC000054904578 173392491 /nfs/dbraw/zinc/39/24/91/173392491.db2.gz SWUFGRCTXKZRBA-UHFFFAOYSA-N 1 0 241.360 1.478 10 0 BDAERO C[NH2+]Cc1cnc(Cc2ccccn2)nc1 ZINC000054855528 173392655 /nfs/dbraw/zinc/39/26/55/173392655.db2.gz AJERXASFBPXOLA-UHFFFAOYSA-N 1 0 214.272 1.182 10 0 BDAERO C[NH2+]Cc1csc(C[C@H]2CCCO2)n1 ZINC000040999584 173392802 /nfs/dbraw/zinc/39/28/02/173392802.db2.gz PLNUZZFFWLZQFM-SECBINFHSA-N 1 0 212.318 1.584 10 0 BDAERO C[NH2+]Cc1nc(Cn2nc(C)nc2C)cs1 ZINC000052574561 173394757 /nfs/dbraw/zinc/39/47/57/173394757.db2.gz JTRCVBXZKIVEON-UHFFFAOYSA-N 1 0 237.332 1.119 10 0 BDAERO C[NH2+]Cc1nc(CN2CCOC[C@@H]2C)cs1 ZINC000052475660 173395010 /nfs/dbraw/zinc/39/50/10/173395010.db2.gz MLGXHPZOVSDIGE-VIFPVBQESA-N 1 0 241.360 1.083 10 0 BDAERO C[NH2+]Cc1nc(CN2CCCOCC2)cs1 ZINC000061936198 173395432 /nfs/dbraw/zinc/39/54/32/173395432.db2.gz JGASJDAGLUUIJA-UHFFFAOYSA-N 1 0 241.360 1.085 10 0 BDAERO C[NH2+]Cc1nccn1Cc1ncc(Cl)n1C ZINC000051004581 173397852 /nfs/dbraw/zinc/39/78/52/173397852.db2.gz MHSAAHXZQUSMDR-UHFFFAOYSA-N 1 0 239.710 1.038 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccccc1Cl ZINC000054744444 173398386 /nfs/dbraw/zinc/39/83/86/173398386.db2.gz OSDMLWNOIYSQTP-UHFFFAOYSA-N 1 0 223.667 1.035 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H]1CCCc2ccccc21 ZINC000054746438 173398724 /nfs/dbraw/zinc/39/87/24/173398724.db2.gz DBHKMAMSEIONQY-GFCCVEGCSA-N 1 0 243.314 1.318 10 0 BDAERO C[NH2+]Cc1nnnn1C1(C)CCCCC1 ZINC000054747633 173398878 /nfs/dbraw/zinc/39/88/78/173398878.db2.gz ITRGEZWKNPSPKW-UHFFFAOYSA-N 1 0 209.297 1.072 10 0 BDAERO C[NH2+]Cc1occc1CN1CCO[C@H](C)C1 ZINC000052382425 173399817 /nfs/dbraw/zinc/39/98/17/173399817.db2.gz CMDPLPYXCWDFPW-SNVBAGLBSA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+][C@@H](C)[C@H](C)c1nc(Cc2cccnc2)no1 ZINC000104053182 173417805 /nfs/dbraw/zinc/41/78/05/173417805.db2.gz 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219.350 1.199 10 0 BDAERO C[NH2+][C@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000049647801 173466967 /nfs/dbraw/zinc/46/69/67/173466967.db2.gz CUMULRATMZYPKW-LBPRGKRZSA-N 1 0 218.300 1.628 10 0 BDAERO CNc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000042549611 173483200 /nfs/dbraw/zinc/48/32/00/173483200.db2.gz XZFTZBYKJVBWED-SNVBAGLBSA-N 1 0 233.315 1.162 10 0 BDAERO COC(=O)Cn1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000041726377 173646269 /nfs/dbraw/zinc/64/62/69/173646269.db2.gz TYGVFMJJUFBMHL-SNVBAGLBSA-N 1 0 222.288 1.306 10 0 BDAERO COC(=O)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000057496946 173701050 /nfs/dbraw/zinc/70/10/50/173701050.db2.gz OFTXIFNBTWHKFG-VIFPVBQESA-N 1 0 213.664 1.555 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000044136049 173817537 /nfs/dbraw/zinc/81/75/37/173817537.db2.gz QXEBYTSFBVBKIK-RYUDHWBXSA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)c1nc([C@@H]2CCC[NH2+]2)sc1C ZINC000098210038 173916472 /nfs/dbraw/zinc/91/64/72/173916472.db2.gz RYRSPEAPFSAOAT-ZETCQYMHSA-N 1 0 226.301 1.663 10 0 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ZINC000037809135 174287411 /nfs/dbraw/zinc/28/74/11/174287411.db2.gz GQQFXCBELVZAMK-CYBMUJFWSA-N 1 0 242.363 1.245 10 0 BDAERO COCCN(CC[NH3+])Cc1ccc(OC)cc1 ZINC000032090306 174292510 /nfs/dbraw/zinc/29/25/10/174292510.db2.gz MVAQHRFRKPHWFD-UHFFFAOYSA-N 1 0 238.331 1.102 10 0 BDAERO COCC[NH+](CCOC)CC1(CO)CCCC1 ZINC000051295539 174296202 /nfs/dbraw/zinc/29/62/02/174296202.db2.gz XDUQVDCDYWTGDA-UHFFFAOYSA-N 1 0 245.363 1.134 10 0 BDAERO COCC[N@@H+](Cc1ccc(C)cc1)C[C@H](C)O ZINC000036094973 174299471 /nfs/dbraw/zinc/29/94/71/174299471.db2.gz ZOEMJPRBZOCREW-ZDUSSCGKSA-N 1 0 237.343 1.824 10 0 BDAERO COCC[N@H+]([C@@H](C)C1CC1)[C@@](C)(CN)C1CC1 ZINC000042615238 174301906 /nfs/dbraw/zinc/30/19/06/174301906.db2.gz VHZNSHBZTARLMH-FZMZJTMJSA-N 1 0 240.391 1.861 10 0 BDAERO COCCN1CC(C)(C)[NH2+]CC1(C)C ZINC000062568691 174303274 /nfs/dbraw/zinc/30/32/74/174303274.db2.gz VQNFUDKHSPOSBJ-UHFFFAOYSA-N 1 0 200.326 1.095 10 0 BDAERO COCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000171412238 174308245 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SONLOZAZDPENEM-UHFFFAOYSA-N 1 0 218.300 1.914 10 0 BDAERO COCC[NH2+][C@@H](CO)c1c(C)cc(C)cc1C ZINC000053292263 174338593 /nfs/dbraw/zinc/33/85/93/174338593.db2.gz HGWNUIDYJMIEKJ-ZDUSSCGKSA-N 1 0 237.343 1.881 10 0 BDAERO COCCO[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000019394396 174365949 /nfs/dbraw/zinc/36/59/49/174365949.db2.gz OSSPFRYPYFSKNE-WDEREUQCSA-N 1 0 201.310 1.700 10 0 BDAERO COCCO[C@H](C)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000019398009 174366288 /nfs/dbraw/zinc/36/62/88/174366288.db2.gz RUHFEDZNPHWPDY-ZWNOBZJWSA-N 1 0 239.315 1.747 10 0 BDAERO COCCO[C@H]1COc2ccccc2[C@H]1[NH3+] ZINC000019283145 174366998 /nfs/dbraw/zinc/36/69/98/174366998.db2.gz GHQGPITXFWOFKL-NWDGAFQWSA-N 1 0 223.272 1.110 10 0 BDAERO COCC[C@@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000336755854 174383053 /nfs/dbraw/zinc/38/30/53/174383053.db2.gz GPPWDAQKWUIZBI-VXGBXAGGSA-N 1 0 227.348 1.818 10 0 BDAERO COCC[C@@H]([NH3+])CN1CCCc2ccccc2C1 ZINC000062946149 174392944 /nfs/dbraw/zinc/39/29/44/174392944.db2.gz 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WVTCOJOPIBBNAS-JTQLQIEISA-N 1 0 201.216 1.785 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309989965 174851539 /nfs/dbraw/zinc/85/15/39/174851539.db2.gz ZVJRWXYZYVORTG-IVZWLZJFSA-N 1 0 228.336 1.057 10 0 BDAERO CO[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055088100 174882646 /nfs/dbraw/zinc/88/26/46/174882646.db2.gz JXTIJBUSWOQOQN-RHYQMDGZSA-N 1 0 240.347 1.188 10 0 BDAERO CO[C@H]1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1 ZINC000095347499 174892337 /nfs/dbraw/zinc/89/23/37/174892337.db2.gz XPNGYPONHJYIPU-UWVGGRQHSA-N 1 0 244.335 1.278 10 0 BDAERO COc1cc(C(N)=[NH2+])ccc1OCC(F)(F)F ZINC000019519278 174943587 /nfs/dbraw/zinc/94/35/87/174943587.db2.gz XVPAZSMMRVQDJD-UHFFFAOYSA-N 1 0 248.204 1.920 10 0 BDAERO COc1cc(C[NH2+][C@@H]2C[C@@H]2C)ccc1O ZINC000052269337 174985146 /nfs/dbraw/zinc/98/51/46/174985146.db2.gz DBNPICJVNPIKTR-WCBMZHEXSA-N 1 0 207.273 1.899 10 0 BDAERO COc1cc(OC)c([C@@H](O)[C@@H](C)[NH3+])cc1OC ZINC000020216888 175007728 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/nfs/dbraw/zinc/02/15/91/175021591.db2.gz XBHKBTCXRYPZMX-BDAKNGLRSA-N 1 0 221.300 1.908 10 0 BDAERO COc1cc2ccn(CC[NH3+])c2cc1OC ZINC000059731345 175027326 /nfs/dbraw/zinc/02/73/26/175027326.db2.gz MHJVNBRHMOOBEC-UHFFFAOYSA-N 1 0 220.272 1.617 10 0 BDAERO COc1ccc(-c2c[nH+]c(N)n2C)cc1OC ZINC000022130288 175037322 /nfs/dbraw/zinc/03/73/22/175037322.db2.gz SWPWUOLAFBVWHP-UHFFFAOYSA-N 1 0 233.271 1.687 10 0 BDAERO COc1ccc(-c2n[nH]c(CC[NH3+])n2)cc1F ZINC000070463082 175039668 /nfs/dbraw/zinc/03/96/68/175039668.db2.gz FYVNPJHZRALZRO-UHFFFAOYSA-N 1 0 236.250 1.121 10 0 BDAERO COc1ccc(-c2nnc(CC[NH3+])o2)cc1OC ZINC000011585784 175041648 /nfs/dbraw/zinc/04/16/48/175041648.db2.gz YGCZYBHWNCJVPL-UHFFFAOYSA-N 1 0 249.270 1.255 10 0 BDAERO COc1ccc(-c2nnc(CC[NH3+])o2)c(OC)c1 ZINC000050283744 175041653 /nfs/dbraw/zinc/04/16/53/175041653.db2.gz JOVUCNOONILTSX-UHFFFAOYSA-N 1 0 249.270 1.255 10 0 BDAERO COc1ccc(-n2cnc(C[NH3+])c2)cc1Cl ZINC000082549032 175044679 /nfs/dbraw/zinc/04/46/79/175044679.db2.gz MXOKOWOCIHOXRY-UHFFFAOYSA-N 1 0 237.690 1.993 10 0 BDAERO COc1ccc(C(=O)N(C)C[C@H](C)C[NH3+])cc1 ZINC000042454913 175054463 /nfs/dbraw/zinc/05/44/63/175054463.db2.gz GATUPMPVTOQQKY-SNVBAGLBSA-N 1 0 236.315 1.362 10 0 BDAERO COc1ccc(C(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000082379665 175065319 /nfs/dbraw/zinc/06/53/19/175065319.db2.gz ZVQMJOMUBZSTOF-SNVBAGLBSA-N 1 0 205.257 1.487 10 0 BDAERO COc1ccc(C(C[NH3+])(OC)OC)cc1OC ZINC000057533618 175070155 /nfs/dbraw/zinc/07/01/55/175070155.db2.gz HFTGNIBWPVLTQS-UHFFFAOYSA-N 1 0 241.287 1.108 10 0 BDAERO COc1ccc(C)c2c1SC[C@@H]([NH3+])C2 ZINC000082949983 175071290 /nfs/dbraw/zinc/07/12/90/175071290.db2.gz RMPBYIDEBUEHLF-QMMMGPOBSA-N 1 0 209.314 1.979 10 0 BDAERO COc1ccc(C)cc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000104306650 175072997 /nfs/dbraw/zinc/07/29/97/175072997.db2.gz XVJOBLYLIUSYED-NSHDSACASA-N 1 0 248.326 1.567 10 0 BDAERO COc1ccc(C)cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000052943374 175073747 /nfs/dbraw/zinc/07/37/47/175073747.db2.gz XKSUXWAFBCGTPU-JTQLQIEISA-N 1 0 234.299 1.095 10 0 BDAERO COc1ccc(C)cc1NC(=O)C(C)(C)[NH3+] ZINC000019672599 175077716 /nfs/dbraw/zinc/07/77/16/175077716.db2.gz BPOBJIPHYCOBCO-UHFFFAOYSA-N 1 0 222.288 1.679 10 0 BDAERO COc1ccc(C)cc1[C@@]1(C)C[C@]1(C[NH3+])CO ZINC000070553669 175081135 /nfs/dbraw/zinc/08/11/35/175081135.db2.gz QYCLBDJNRKDTKJ-KGLIPLIRSA-N 1 0 235.327 1.602 10 0 BDAERO COc1ccc(C)cc1[C@@](O)(C[NH3+])C(C)C ZINC000032014659 175081441 /nfs/dbraw/zinc/08/14/41/175081441.db2.gz BEKLGHIPUSMPFM-CYBMUJFWSA-N 1 0 223.316 1.806 10 0 BDAERO COc1ccc(C)cc1[C@@]1(C)C[C@@]1(C[NH3+])CO ZINC000070553667 175081581 /nfs/dbraw/zinc/08/15/81/175081581.db2.gz QYCLBDJNRKDTKJ-ZIAGYGMSSA-N 1 0 235.327 1.602 10 0 BDAERO COc1ccc(C)cc1[C@H]([NH3+])Cc1ncc[nH]1 ZINC000052943501 175082277 /nfs/dbraw/zinc/08/22/77/175082277.db2.gz IUZOVXCYQWYUHO-LLVKDONJSA-N 1 0 231.299 1.969 10 0 BDAERO COc1ccc(C2(O)CC[NH2+]CC2)c(F)c1 ZINC000075903607 175084040 /nfs/dbraw/zinc/08/40/40/175084040.db2.gz IRFFGVKSISQNRZ-UHFFFAOYSA-N 1 0 225.263 1.405 10 0 BDAERO COc1ccc(CC[NH2+]CCO)c(Cl)c1 ZINC000098125160 175091253 /nfs/dbraw/zinc/09/12/53/175091253.db2.gz LYQPGXDKBIAGOR-UHFFFAOYSA-N 1 0 229.707 1.473 10 0 BDAERO COc1ccc(CC[NH2+][C@@H](C)CO)cc1Cl ZINC000098126732 175091776 /nfs/dbraw/zinc/09/17/76/175091776.db2.gz ZSYYLDFZYFUVPP-VIFPVBQESA-N 1 0 243.734 1.862 10 0 BDAERO COc1ccc(CCc2nnc(CC[NH3+])o2)cc1 ZINC000011585834 175093654 /nfs/dbraw/zinc/09/36/54/175093654.db2.gz BJKJUEBUWLWVAV-UHFFFAOYSA-N 1 0 247.298 1.365 10 0 BDAERO COc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)cn1 ZINC000020441783 175109973 /nfs/dbraw/zinc/10/99/73/175109973.db2.gz GWOVTVYHZSRIAY-CYBMUJFWSA-N 1 0 247.342 1.274 10 0 BDAERO [NH3+]CC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(F)F ZINC000383493507 487630178 /nfs/dbraw/zinc/63/01/78/487630178.db2.gz QQGGPZYAWFBILW-BZNPZCIMSA-N 1 0 232.274 1.131 10 0 BDAERO COc1ccc(C[C@H]([NH3+])CN(C)C)cc1F ZINC000071532906 175117332 /nfs/dbraw/zinc/11/73/32/175117332.db2.gz KHTHCHXVTJDMOY-JTQLQIEISA-N 1 0 226.295 1.266 10 0 BDAERO COc1ccc(Cl)c(NC(=O)[C@H](C)C[NH3+])c1 ZINC000054345367 175118781 /nfs/dbraw/zinc/11/87/81/175118781.db2.gz DCKYASLJRWHSJJ-SSDOTTSWSA-N 1 0 242.706 1.882 10 0 BDAERO COc1ccc(Cl)cc1COCC[NH3+] ZINC000051864524 175120355 /nfs/dbraw/zinc/12/03/55/175120355.db2.gz FFNICRQBHUISGW-UHFFFAOYSA-N 1 0 215.680 1.824 10 0 BDAERO COc1ccc(Cl)cc1[C@H](O)[C@@H](C)[NH3+] ZINC000071519485 175123031 /nfs/dbraw/zinc/12/30/31/175123031.db2.gz DRRDLGZGYCBXDX-LHLIQPBNSA-N 1 0 215.680 1.729 10 0 BDAERO COc1ccc(NC(=O)CC[NH+](C)C)c(N)c1 ZINC000022213635 175141587 /nfs/dbraw/zinc/14/15/87/175141587.db2.gz YZJYMISEQWIPHW-UHFFFAOYSA-N 1 0 237.303 1.168 10 0 BDAERO COc1ccc(NC(=O)[C@@H](C)[NH3+])cc1C ZINC000042477043 175144687 /nfs/dbraw/zinc/14/46/87/175144687.db2.gz VFRNOGKLYYDPMS-MRVPVSSYSA-N 1 0 208.261 1.289 10 0 BDAERO COc1ccc(OC(=O)[C@H](N)CC(C)C)cc1 ZINC000049828800 175162957 /nfs/dbraw/zinc/16/29/57/175162957.db2.gz GZTJQYHVFXJJEX-GFCCVEGCSA-N 1 0 237.299 1.974 10 0 BDAERO COc1ccc(OC)c(C2(O)CC[NH2+]CC2)c1 ZINC000055234407 175164658 /nfs/dbraw/zinc/16/46/58/175164658.db2.gz BKBCJRTZDWEXTB-UHFFFAOYSA-N 1 0 237.299 1.275 10 0 BDAERO COc1ccc(OC)c(COCC[NH3+])c1 ZINC000057939156 175166275 /nfs/dbraw/zinc/16/62/75/175166275.db2.gz XUFYDYXTNWHINH-UHFFFAOYSA-N 1 0 211.261 1.179 10 0 BDAERO COc1ccc(OC)c([C@@H](O)CC[NH3+])c1 ZINC000019674822 175167890 /nfs/dbraw/zinc/16/78/90/175167890.db2.gz SLQHAMPPJYSSAA-JTQLQIEISA-N 1 0 211.261 1.086 10 0 BDAERO COc1ccc(OC)c([C@@H]2C[NH2+]C[C@H](C)O2)c1 ZINC000033466021 175168476 /nfs/dbraw/zinc/16/84/76/175168476.db2.gz XMFRDGPHYIGFIM-ZANVPECISA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc(OC)c([C@H](O)C(C)(C)[NH3+])c1 ZINC000019684275 175169047 /nfs/dbraw/zinc/16/90/47/175169047.db2.gz BNTJMLFGLSBGTB-NSHDSACASA-N 1 0 225.288 1.475 10 0 BDAERO COc1ccc(OC)c([C@]2(C)C[C@H]2C[NH3+])c1 ZINC000054588167 175169930 /nfs/dbraw/zinc/16/99/30/175169930.db2.gz VHOPNHDLQFRVAF-TVQRCGJNSA-N 1 0 221.300 1.940 10 0 BDAERO COc1ccc(OCCC[NH3+])cc1OC ZINC000107284516 175172559 /nfs/dbraw/zinc/17/25/59/175172559.db2.gz NODVLCYRDSEOED-UHFFFAOYSA-N 1 0 211.261 1.431 10 0 BDAERO COc1ccc(OCCO)c(C[NH2+]C(C)C)c1 ZINC000034656086 175172710 /nfs/dbraw/zinc/17/27/10/175172710.db2.gz LJVWMVCWFQDOKN-UHFFFAOYSA-N 1 0 239.315 1.564 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CCO2)c(F)c1 ZINC000082953002 175183309 /nfs/dbraw/zinc/18/33/09/175183309.db2.gz FPOSBNWCYUKZMI-NSHDSACASA-N 1 0 211.236 1.495 10 0 BDAERO COc1ccc([C@@H]2CC[C@@H](C[NH3+])O2)cc1 ZINC000040845499 175183503 /nfs/dbraw/zinc/18/35/03/175183503.db2.gz SUAFTJAVJHXARK-RYUDHWBXSA-N 1 0 207.273 1.874 10 0 in-vivo BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C)O2)c(OC)c1 ZINC000033466023 175184082 /nfs/dbraw/zinc/18/40/82/175184082.db2.gz PPPDINSFRICPHN-RNCFNFMXSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@@](C)([NH2+]C2CC2)C(N)=O)cc1 ZINC000037514611 175185978 /nfs/dbraw/zinc/18/59/78/175185978.db2.gz HTNLUCMBDVUSHR-CYBMUJFWSA-N 1 0 234.299 1.148 10 0 BDAERO COc1ccc([C@H](CO)[NH2+]C2CC2)cc1F ZINC000071532079 175191336 /nfs/dbraw/zinc/19/13/36/175191336.db2.gz FUFBHSQDBGCPJL-NSHDSACASA-N 1 0 225.263 1.620 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C)O2)cc1 ZINC000032011713 175197014 /nfs/dbraw/zinc/19/70/14/175197014.db2.gz IIBBIKJONCCHEH-BXKDBHETSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@H]2C[C@H](C[NH3+])OC2=O)cc1 ZINC000027188677 175197981 /nfs/dbraw/zinc/19/79/81/175197981.db2.gz ZQPKBRYJALEZGX-GHMZBOCLSA-N 1 0 221.256 1.053 10 0 BDAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC(N)=O ZINC000033856739 175207832 /nfs/dbraw/zinc/20/78/32/175207832.db2.gz FKGKOECHTPVTHB-ZDUSSCGKSA-N 1 0 248.326 1.538 10 0 BDAERO COc1ccc2c(c1)C[C@@H](C[NH3+])CS2 ZINC000082375870 175211230 /nfs/dbraw/zinc/21/12/30/175211230.db2.gz OFEZWPJMPMXUGW-QMMMGPOBSA-N 1 0 209.314 1.918 10 0 BDAERO COc1ccc2c(c1)[C@H](N1CC[NH2+]CC1)CCC2 ZINC000031889691 175215839 /nfs/dbraw/zinc/21/58/39/175215839.db2.gz KXEROXFYRWYIGF-OAHLLOKOSA-N 1 0 246.354 1.978 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])CCC[S@@]2=O ZINC000040975672 175216218 /nfs/dbraw/zinc/21/62/18/175216218.db2.gz OUTQMAMLJAGKMH-MEBBXXQBSA-N 1 0 225.313 1.596 10 0 BDAERO COc1ccc2c(c1C[C@H](C)[NH3+])OCO2 ZINC000027748136 175221031 /nfs/dbraw/zinc/22/10/31/175221031.db2.gz CMLBFORYSUACKE-ZETCQYMHSA-N 1 0 209.245 1.314 10 0 BDAERO COc1ccc2oc(C3(C[NH3+])CC3)nc2c1 ZINC000082981320 175230819 /nfs/dbraw/zinc/23/08/19/175230819.db2.gz GEDDARMMCKRPEK-UHFFFAOYSA-N 1 0 218.256 1.827 10 0 BDAERO COc1ccc[n+](OCc2ccccc2)c1 ZINC000005361504 175232478 /nfs/dbraw/zinc/23/24/78/175232478.db2.gz TXYRFAFPNKKJKH-UHFFFAOYSA-N 1 0 216.260 1.612 10 0 BDAERO COc1cccc(-n2nnc(C[NH3+])c2C)c1 ZINC000020391646 175239648 /nfs/dbraw/zinc/23/96/48/175239648.db2.gz HLUGKYYZBJXOEM-UHFFFAOYSA-N 1 0 218.260 1.043 10 0 BDAERO Cc1cnc(CNC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000225813928 487630157 /nfs/dbraw/zinc/63/01/57/487630157.db2.gz BTJFWRTWEYWPLA-SECBINFHSA-N 1 0 241.360 1.441 10 0 BDAERO COc1cccc(COCC(C)(C)[NH3+])c1 ZINC000070837036 175270159 /nfs/dbraw/zinc/27/01/59/175270159.db2.gz LECLDNFHXDYMCX-UHFFFAOYSA-N 1 0 209.289 1.949 10 0 BDAERO COc1cccc(Cc2ncc(C[NH3+])cn2)c1 ZINC000054855289 175272501 /nfs/dbraw/zinc/27/25/01/175272501.db2.gz NKGJFSAZDXZNTI-UHFFFAOYSA-N 1 0 229.283 1.535 10 0 BDAERO COc1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043324390 175280334 /nfs/dbraw/zinc/28/03/34/175280334.db2.gz JBVNINHYDAFWBO-NSHDSACASA-N 1 0 206.289 1.859 10 0 BDAERO COc1cccc(O[C@H](C)CC[NH3+])c1OC ZINC000041245776 175284794 /nfs/dbraw/zinc/28/47/94/175284794.db2.gz XYWUUFXAVMXRAL-SECBINFHSA-N 1 0 225.288 1.820 10 0 BDAERO COc1cccc([C@@H]([C@H](C)[NH3+])n2ccnc2)c1 ZINC000043028756 175289480 /nfs/dbraw/zinc/28/94/80/175289480.db2.gz GKWRMOWNVPNADO-GXFFZTMASA-N 1 0 231.299 1.828 10 0 BDAERO COc1cccc([C@@H](O)[C@H](C)[NH3+])c1OC ZINC000020216934 175289699 /nfs/dbraw/zinc/28/96/99/175289699.db2.gz GWLPOWLUMAKGCV-XVKPBYJWSA-N 1 0 211.261 1.084 10 0 BDAERO COc1cccc([C@H](O)[C@@H]2CCCC[NH2+]2)c1 ZINC000041237242 175295172 /nfs/dbraw/zinc/29/51/72/175295172.db2.gz KVQPHGYDDHUUHV-STQMWFEESA-N 1 0 221.300 1.871 10 0 BDAERO COc1cccc2c(CCC[NH3+])[nH]nc21 ZINC000107439638 175299047 /nfs/dbraw/zinc/29/90/47/175299047.db2.gz TWPLINJKVGDRHN-UHFFFAOYSA-N 1 0 205.261 1.463 10 0 BDAERO COc1cccc2c1O[C@@H](C1=[NH+]CCN1)C2 ZINC000027649699 175304990 /nfs/dbraw/zinc/30/49/90/175304990.db2.gz ZKVPZHBOSRHWHK-SNVBAGLBSA-N 1 0 218.256 1.000 10 0 BDAERO COc1cccc2c1[S@@](=O)CCC[C@@H]2[NH3+] ZINC000041031234 175306039 /nfs/dbraw/zinc/30/60/39/175306039.db2.gz GXKQAVDLCYLXGH-BJOHPYRUSA-N 1 0 225.313 1.596 10 0 BDAERO COc1ccccc1C(=O)C1CC[NH2+]CC1 ZINC000041232586 175316272 /nfs/dbraw/zinc/31/62/72/175316272.db2.gz BIIJJOUQCXABNI-UHFFFAOYSA-N 1 0 219.284 1.878 10 0 BDAERO COc1ccccc1C(CC[NH3+])(OC)OC ZINC000057517047 175319644 /nfs/dbraw/zinc/31/96/44/175319644.db2.gz KJNCXTXBVOZVRI-UHFFFAOYSA-N 1 0 225.288 1.490 10 0 BDAERO COc1ccccc1CC(=O)[C@@H]1CCC[NH2+]C1 ZINC000041260723 175321581 /nfs/dbraw/zinc/32/15/81/175321581.db2.gz JSSCWKNOZMQGEI-GFCCVEGCSA-N 1 0 233.311 1.806 10 0 BDAERO COc1ccccc1CCN1CC[NH2+]C[C@@H]1C ZINC000041264313 175322672 /nfs/dbraw/zinc/32/26/72/175322672.db2.gz SFDSTBTWERYAKN-LBPRGKRZSA-N 1 0 234.343 1.531 10 0 BDAERO COc1ccccc1CN1[C@H](C)C[NH2+]C[C@H]1C ZINC000019801263 175328863 /nfs/dbraw/zinc/32/88/63/175328863.db2.gz KQRQNNKQEAPMQY-VXGBXAGGSA-N 1 0 234.343 1.877 10 0 BDAERO COc1ccccc1C[C@@H]1CSC[C@@H]1[NH3+] ZINC000098095197 175333021 /nfs/dbraw/zinc/33/30/21/175333021.db2.gz FNHDYOUXOKQVAB-MNOVXSKESA-N 1 0 223.341 1.928 10 0 BDAERO COc1ccccc1C[C@H](C)[NH2+]Cc1nnc[nH]1 ZINC000037919806 175334085 /nfs/dbraw/zinc/33/40/85/175334085.db2.gz RLLJBOOAPSYGRM-JTQLQIEISA-N 1 0 246.314 1.534 10 0 BDAERO COc1ccccc1Cc1nc([C@@H](C)[NH3+])no1 ZINC000041122035 175334499 /nfs/dbraw/zinc/33/44/99/175334499.db2.gz LTUVEHUEIFOJTJ-MRVPVSSYSA-N 1 0 233.271 1.689 10 0 BDAERO COc1ccccc1[C@@](C)(O)C[NH2+]C1CC1 ZINC000032013926 175349778 /nfs/dbraw/zinc/34/97/78/175349778.db2.gz UVBUVMKCZHHAAO-ZDUSSCGKSA-N 1 0 221.300 1.655 10 0 BDAERO COc1ccnc(NCc2ccc(C[NH3+])cc2)n1 ZINC000037748179 175366307 /nfs/dbraw/zinc/36/63/07/175366307.db2.gz UBYLQOPUMJXHSY-UHFFFAOYSA-N 1 0 244.298 1.556 10 0 BDAERO COc1cncc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000290080709 175386185 /nfs/dbraw/zinc/38/61/85/175386185.db2.gz WQIHZPBOPQOZES-MFKMUULPSA-N 1 0 236.315 1.747 10 0 BDAERO COc1cncc(N2CCC[NH2+]CCC2)c1 ZINC000000023621 175386630 /nfs/dbraw/zinc/38/66/30/175386630.db2.gz SHALYUZFJLUFSL-UHFFFAOYSA-N 1 0 221.304 1.280 10 0 BDAERO C[C@@H](C[NH3+])CN(C)c1ncnc2sccc21 ZINC000042455746 175706857 /nfs/dbraw/zinc/70/68/57/175706857.db2.gz UAKGJZMDYDZHKD-QMMMGPOBSA-N 1 0 236.344 1.722 10 0 BDAERO C[C@@H](C[NH2+]C(C)(C)C)N1CCOCC1(C)C ZINC000052546037 175730266 /nfs/dbraw/zinc/73/02/66/175730266.db2.gz PNZYETLGIOBWMQ-NSHDSACASA-N 1 0 228.380 1.874 10 0 BDAERO C[C@@H]([NH3+])Cc1cc2c(cc1OC(F)F)OCO2 ZINC000042877929 175806331 /nfs/dbraw/zinc/80/63/31/175806331.db2.gz VGQIDBLXHUIYMF-ZCFIWIBFSA-N 1 0 245.225 1.906 10 0 BDAERO C[C@@H]([NH3+])Cc1ccnc(C[C@@H]2CCCO2)n1 ZINC000054834310 175807106 /nfs/dbraw/zinc/80/71/06/175807106.db2.gz OPQVOANRCHDTAQ-KOLCDFICSA-N 1 0 221.304 1.088 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1ccc2c(c1)CCN2C ZINC000050285931 175809757 /nfs/dbraw/zinc/80/97/57/175809757.db2.gz PCMHLOBZQVTUHT-PRHODGIISA-N 1 0 206.289 1.060 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1cccnc1)n1cc(Cl)cn1 ZINC000043348902 175813670 /nfs/dbraw/zinc/81/36/70/175813670.db2.gz YQALJWLRFPZNDQ-LDYMZIIASA-N 1 0 236.706 1.868 10 0 BDAERO C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H]1CCCO1 ZINC000230938698 175904452 /nfs/dbraw/zinc/90/44/52/175904452.db2.gz SIEJUMBFWDFUGP-BXKDBHETSA-N 1 0 224.279 1.878 10 0 BDAERO C[C@@H](OCC[NH3+])OCCOCc1ccccc1 ZINC000085483182 176002068 /nfs/dbraw/zinc/00/20/68/176002068.db2.gz ZCTMEQORIJWGOM-LBPRGKRZSA-N 1 0 239.315 1.541 10 0 BDAERO C[C@@H](O[C@@H]1CCC[NH2+]C1)C(=O)NC(C)(C)C ZINC000020422829 176003136 /nfs/dbraw/zinc/00/31/36/176003136.db2.gz SZIGPXKQGZAZSY-NXEZZACHSA-N 1 0 228.336 1.058 10 0 BDAERO C[C@@H](c1ccccc1)N1C[C@@H](C[NH3+])OC1=O ZINC000019668896 176022451 /nfs/dbraw/zinc/02/24/51/176022451.db2.gz UCWIUCAEEPLGGF-GXSJLCMTSA-N 1 0 220.272 1.527 10 0 BDAERO C[C@@H](c1ccccn1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000177143307 176027759 /nfs/dbraw/zinc/02/77/59/176027759.db2.gz LWPSSGYMYLQBSA-QWHCGFSZSA-N 1 0 249.358 1.405 10 0 BDAERO C[C@@H](c1ccncc1)N(C)C(=O)C1([NH3+])CCCC1 ZINC000037824005 176034721 /nfs/dbraw/zinc/03/47/21/176034721.db2.gz ZZIFLUQYMVWGPY-NSHDSACASA-N 1 0 247.342 1.873 10 0 BDAERO C[C@@H](c1cnn(C)c1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357858 176037344 /nfs/dbraw/zinc/03/73/44/176037344.db2.gz RUMPYLJLFBDZRA-FPMFFAJLSA-N 1 0 248.374 1.698 10 0 BDAERO C[C@@H](c1nccs1)N(C)C[C@@H]1CCC[NH2+]1 ZINC000095068218 176039075 /nfs/dbraw/zinc/03/90/75/176039075.db2.gz WISHCMNPUFOBCH-UWVGGRQHSA-N 1 0 225.361 1.888 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1CCCC(N)=S ZINC000019519492 176071264 /nfs/dbraw/zinc/07/12/64/176071264.db2.gz SZVLITODCONTSS-SECBINFHSA-N 1 0 200.351 1.927 10 0 BDAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037806774 176085522 /nfs/dbraw/zinc/08/55/22/176085522.db2.gz FKLUKAIUGIXDTC-GRYCIOLGSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@@H]1CCCN(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000091973258 176092651 /nfs/dbraw/zinc/09/26/51/176092651.db2.gz UBHHIXGVKWCLLH-UTUOFQBUSA-N 1 0 239.363 1.568 10 0 BDAERO C[C@@H]1CCC[N@@H+](C2(CN)CCOCC2)C1 ZINC000036304787 176096499 /nfs/dbraw/zinc/09/64/99/176096499.db2.gz ZWDOIUCOUPCZAX-LLVKDONJSA-N 1 0 212.337 1.226 10 0 BDAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2cccnc2)C1 ZINC000022163735 176102617 /nfs/dbraw/zinc/10/26/17/176102617.db2.gz AXKHZTATTAIURZ-YPMHNXCESA-N 1 0 219.332 1.813 10 0 BDAERO C[C@@H]1CCC[C@@](C[NH3+])(NC(=O)NC(C)(C)C)C1 ZINC000104306733 176133360 /nfs/dbraw/zinc/13/33/60/176133360.db2.gz VYALAPRAQAXMJZ-ZWNOBZJWSA-N 1 0 241.379 1.992 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)NCc2ccccc2)[NH2+]1 ZINC000019506874 176135542 /nfs/dbraw/zinc/13/55/42/176135542.db2.gz HLFHOFZGFPGFBT-DGCLKSJQSA-N 1 0 232.327 1.833 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)NC2CCCCC2)[NH2+]1 ZINC000019442609 176135937 /nfs/dbraw/zinc/13/59/37/176135937.db2.gz AZLZQPVAEJQGAK-ZYHUDNBSSA-N 1 0 224.348 1.966 10 0 BDAERO C[C@@H]1CCC[C@H](CNC(=O)c2ccccc2O)[NH2+]1 ZINC000051572737 176138681 /nfs/dbraw/zinc/13/86/81/176138681.db2.gz RJBSEUSEOHPTNW-GHMZBOCLSA-N 1 0 248.326 1.653 10 0 BDAERO C[C@@H]1CCN(C(=O)C2(C[NH3+])CCCCC2)C1 ZINC000044763184 176153811 /nfs/dbraw/zinc/15/38/11/176153811.db2.gz AFVNHEYRKZLTSV-LLVKDONJSA-N 1 0 224.348 1.764 10 0 BDAERO C[C@@H]1CCN(C(=O)Nc2ccnnc2)[C@@H](C[NH3+])C1 ZINC000333388774 176159652 /nfs/dbraw/zinc/15/96/52/176159652.db2.gz XDLRRMZZZPMSGX-MWLCHTKSSA-N 1 0 249.318 1.068 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)OCc1ccccc1 ZINC000096028720 176186019 /nfs/dbraw/zinc/18/60/19/176186019.db2.gz WXHXHVNLQCUVFW-DGCLKSJQSA-N 1 0 248.326 1.911 10 0 BDAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C2CC[NH+](C)CC2)C1 ZINC000052684820 176208236 /nfs/dbraw/zinc/20/82/36/176208236.db2.gz CBGJTHCPCCMLGA-MRVWCRGKSA-N 1 0 239.407 1.528 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000308821672 176234537 /nfs/dbraw/zinc/23/45/37/176234537.db2.gz CEWSXHMOFUZZRJ-ZNSHCXBVSA-N 1 0 210.321 1.432 10 0 BDAERO C[C@@H]1CC[C@H](O)[C@H](C[N@H+](C)C2CCOCC2)C1 ZINC000053883890 176235254 /nfs/dbraw/zinc/23/52/54/176235254.db2.gz MXAIYNAAUVZNHF-DYEKYZERSA-N 1 0 241.375 1.894 10 0 BDAERO C[C@@H]1CN(C(=O)CCCCC[NH3+])C[C@@H](C)O1 ZINC000019801994 176245101 /nfs/dbraw/zinc/24/51/01/176245101.db2.gz FYQAZATWCMHUAG-GHMZBOCLSA-N 1 0 228.336 1.141 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCCCC2)C[C@@H](C)O1 ZINC000019513903 176279681 /nfs/dbraw/zinc/27/96/81/176279681.db2.gz WQHVZTWNRVYWGI-VXGBXAGGSA-N 1 0 226.364 1.757 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCCCC2)CCO1 ZINC000019479721 176281004 /nfs/dbraw/zinc/28/10/04/176281004.db2.gz BPXCYRYQXYDKBU-LLVKDONJSA-N 1 0 212.337 1.369 10 0 BDAERO C[C@@H]1CN(CC2([NH3+])CCCC2)[C@H](C)CO1 ZINC000037479626 176285319 /nfs/dbraw/zinc/28/53/19/176285319.db2.gz UZIDVRMNYBKBAL-GHMZBOCLSA-N 1 0 212.337 1.367 10 0 BDAERO C[C@@H]1C[N@H+](CCC2CS(=O)(=O)C2)C(C)(C)C1 ZINC000336251715 176288331 /nfs/dbraw/zinc/28/83/31/176288331.db2.gz PGAOQNSCBOKYFT-JTQLQIEISA-N 1 0 245.388 1.542 10 0 BDAERO C[C@@H]1CN(CCO[C@@H]2CCCCO2)C[C@@H](C)[NH2+]1 ZINC000070078157 176292185 /nfs/dbraw/zinc/29/21/85/176292185.db2.gz NXRQSRLQGNKAJX-JHJVBQTASA-N 1 0 242.363 1.212 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccnc2)CCCO1 ZINC000061913496 176314818 /nfs/dbraw/zinc/31/48/18/176314818.db2.gz ZFFIISVYLXQVFN-YPMHNXCESA-N 1 0 235.331 1.192 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000019259003 176314963 /nfs/dbraw/zinc/31/49/63/176314963.db2.gz ACWAQFIVDLTADN-YPMHNXCESA-N 1 0 226.364 1.615 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccncc1)N1CCCO[C@H](C)C1 ZINC000061913537 176315937 /nfs/dbraw/zinc/31/59/37/176315937.db2.gz OYCCJWGZCVLRSV-YRGRVCCFSA-N 1 0 249.358 1.581 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CCO1 ZINC000044118832 176317119 /nfs/dbraw/zinc/31/71/19/176317119.db2.gz MLXFCWOHWFQOSD-HONMWMINSA-N 1 0 233.311 1.365 10 0 BDAERO C[C@@H]1CN(c2cccc(C[NH3+])n2)CCCO1 ZINC000061935274 176319755 /nfs/dbraw/zinc/31/97/55/176319755.db2.gz HDUUULWTEHAWNC-SNVBAGLBSA-N 1 0 221.304 1.156 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccno1 ZINC000226642306 176322528 /nfs/dbraw/zinc/32/25/28/176322528.db2.gz PEUFUBFVICHUAL-GHMZBOCLSA-N 1 0 221.304 1.343 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CCSC1 ZINC000300232937 176322873 /nfs/dbraw/zinc/32/28/73/176322873.db2.gz JATOQBNGBABMGY-JHJVBQTASA-N 1 0 240.416 1.908 10 0 BDAERO C[C@@H]1C[NH+]=C(NC[C@H]2CCCCO2)S1 ZINC000042823917 176324587 /nfs/dbraw/zinc/32/45/87/176324587.db2.gz PNYKFXHYLACPFD-RKDXNWHRSA-N 1 0 214.334 1.636 10 0 BDAERO C[C@@H]1C[NH+]=C(NCCN2CCCC2)S1 ZINC000054130312 176324871 /nfs/dbraw/zinc/32/48/71/176324871.db2.gz UCLIIWMINGAWCL-SECBINFHSA-N 1 0 213.350 1.163 10 0 BDAERO C[C@@H]1CSC(NC[C@@H]2CCCCO2)=[NH+]1 ZINC000042823923 176349478 /nfs/dbraw/zinc/34/94/78/176349478.db2.gz WJGPWUXETQCNPS-BDAKNGLRSA-N 1 0 214.334 1.636 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000052274739 176446569 /nfs/dbraw/zinc/44/65/69/176446569.db2.gz QQTHBWGDSNYMCQ-LDYMZIIASA-N 1 0 204.273 1.284 10 0 BDAERO C[C@@]([NH2+]C1CCCCCC1)(C(N)=O)C1CC1 ZINC000037970562 176513094 /nfs/dbraw/zinc/51/30/94/176513094.db2.gz BRATVTAXJSDVTC-ZDUSSCGKSA-N 1 0 224.348 1.953 10 0 BDAERO C[C@H](C[NH3+])CN(C)C(=O)c1cc(F)cc(F)c1 ZINC000042455079 176658437 /nfs/dbraw/zinc/65/84/37/176658437.db2.gz CKNPCYOFXQBQLW-MRVPVSSYSA-N 1 0 242.269 1.632 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CCCCC[C@H]1c1cccn1C ZINC000037801919 176747682 /nfs/dbraw/zinc/74/76/82/176747682.db2.gz QEDUUYAXXPLPQW-AAEUAGOBSA-N 1 0 249.358 1.816 10 0 BDAERO C[C@H]([NH3+])CCNc1ncc(Br)cn1 ZINC000082662413 176760128 /nfs/dbraw/zinc/76/01/28/176760128.db2.gz PJAGLSALKJJIIX-LURJTMIESA-N 1 0 245.124 1.388 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000040804506 176793402 /nfs/dbraw/zinc/79/34/02/176793402.db2.gz QPWBQGKHHRGKCD-BDAKNGLRSA-N 1 0 224.279 1.740 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCOC1)C(=O)NC1CCCC1 ZINC000038094179 176861712 /nfs/dbraw/zinc/86/17/12/176861712.db2.gz ZTONMELHKAHQNC-QWRGUYRKSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@H](NC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068346 176868296 /nfs/dbraw/zinc/86/82/96/176868296.db2.gz QREAMJAQGKCRHI-WDEREUQCSA-N 1 0 220.320 1.269 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)C(C)(C)C ZINC000162784759 487636842 /nfs/dbraw/zinc/63/68/42/487636842.db2.gz XWLDAZKZWJZDCS-ZJUUUORDSA-N 1 0 214.353 1.911 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])Cc1ccccc1Br ZINC000096985879 177006853 /nfs/dbraw/zinc/00/68/53/177006853.db2.gz NPHRSYLLAKJFRK-XVKPBYJWSA-N 1 0 244.132 1.700 10 0 BDAERO C[C@H](O)[C@H]([NH3+])c1nc2c(cccc2Cl)[nH]1 ZINC000037443767 177013891 /nfs/dbraw/zinc/01/38/91/177013891.db2.gz IOQQZUKUGRTELQ-XNCJUZBTSA-N 1 0 225.679 1.597 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000049547254 177017820 /nfs/dbraw/zinc/01/78/20/177017820.db2.gz BXIMITROWVJETB-GXFFZTMASA-N 1 0 248.326 1.821 10 0 BDAERO C[C@H](OC1CC[NH2+]CC1)c1cnccn1 ZINC000095068452 177020609 /nfs/dbraw/zinc/02/06/09/177020609.db2.gz ATKLQHKOHVWFGE-VIFPVBQESA-N 1 0 207.277 1.306 10 0 BDAERO C[C@H](O[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068430 177021847 /nfs/dbraw/zinc/02/18/47/177021847.db2.gz RBAOTLLTHNLGTL-UWVGGRQHSA-N 1 0 207.277 1.306 10 0 BDAERO C[C@H](OC[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068546 177021957 /nfs/dbraw/zinc/02/19/57/177021957.db2.gz MKCYGXDPGBRTNR-UWVGGRQHSA-N 1 0 207.277 1.164 10 0 BDAERO C[C@@H]([NH3+])c1ccc(O[C@@H](C)C(=O)N(C)C)cc1 ZINC000020419351 177023513 /nfs/dbraw/zinc/02/35/13/177023513.db2.gz TVLRJLOJVMRHEE-ZJUUUORDSA-N 1 0 236.315 1.562 10 0 BDAERO C[C@H]([C@@H]1CCCC[NH2+]1)N1CCCOC1=O ZINC000043373330 177030645 /nfs/dbraw/zinc/03/06/45/177030645.db2.gz TUIMARQJMVPOJG-ZJUUUORDSA-N 1 0 212.293 1.359 10 0 BDAERO C[C@H](c1ccc[nH]1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068171 177035450 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CCc1nsc(N2CC[C@H]([NH3+])[C@@H](CC)C2)n1 ZINC000226038835 487653790 /nfs/dbraw/zinc/65/37/90/487653790.db2.gz YDYXJLFJTQNJBH-IUCAKERBSA-N 1 0 240.376 1.664 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000232784493 487654185 /nfs/dbraw/zinc/65/41/85/487654185.db2.gz DCVUVWRTWXQWCY-ONGXEEELSA-N 1 0 234.347 1.692 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655776754 487665391 /nfs/dbraw/zinc/66/53/91/487665391.db2.gz ONCUXMNUHDSBEL-SRVKXCTJSA-N 1 0 228.405 1.954 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655776755 487665707 /nfs/dbraw/zinc/66/57/07/487665707.db2.gz ONCUXMNUHDSBEL-WOPDTQHZSA-N 1 0 228.405 1.954 10 0 BDAERO [NH3+]CC[C@@H](Nc1ncc(F)cn1)C(F)F ZINC000394815515 262748858 /nfs/dbraw/zinc/74/88/58/262748858.db2.gz QWVXBPGXEPIGOU-ZCFIWIBFSA-N 1 0 220.198 1.010 10 0 BDAERO COCC[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000308492002 487676864 /nfs/dbraw/zinc/67/68/64/487676864.db2.gz AEODJBGMVIJUGZ-GHMZBOCLSA-N 1 0 201.310 1.116 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)c1ccc(F)cc1 ZINC000054076850 487683488 /nfs/dbraw/zinc/68/34/88/487683488.db2.gz RSIGEQWJOLMCOM-MRVPVSSYSA-N 1 0 210.252 1.396 10 0 BDAERO CCN(CC[NH3+])c1ncnc2ccccc21 ZINC000082591972 487686424 /nfs/dbraw/zinc/68/64/24/487686424.db2.gz QLEVWPVEINQAOG-UHFFFAOYSA-N 1 0 216.288 1.415 10 0 BDAERO CN1CCO[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000087793523 487687351 /nfs/dbraw/zinc/68/73/51/487687351.db2.gz GPIMJGVNTDPADS-RYUDHWBXSA-N 1 0 244.404 1.192 10 0 BDAERO Cc1cncc(Cn2cc(C(C)(C)[NH3+])nn2)c1 ZINC000228635938 487698442 /nfs/dbraw/zinc/69/84/42/487698442.db2.gz GZFZZGLMTXBZOD-UHFFFAOYSA-N 1 0 231.303 1.224 10 0 BDAERO C[C@@H](O)CN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000309103396 487701045 /nfs/dbraw/zinc/70/10/45/487701045.db2.gz BTTDUZUPXLBTRO-CHWSQXEVSA-N 1 0 226.364 1.318 10 0 BDAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1C[C@H]1C ZINC000083863008 487700946 /nfs/dbraw/zinc/70/09/46/487700946.db2.gz KSPADPNIZHMNCZ-VWYCJHECSA-N 1 0 212.337 1.522 10 0 BDAERO CCN1CCC[N@H+](C[C@H](O)C(C)(C)C)[C@H](C)C1 ZINC000319952699 487708197 /nfs/dbraw/zinc/70/81/97/487708197.db2.gz HWMOAUTWOXWMHG-OLZOCXBDSA-N 1 0 242.407 1.810 10 0 BDAERO CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000054291508 487709419 /nfs/dbraw/zinc/70/94/19/487709419.db2.gz OVYRCZMVMMOZJK-NWDGAFQWSA-N 1 0 226.364 1.927 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306138 487714051 /nfs/dbraw/zinc/71/40/51/487714051.db2.gz RDWWTHUACHDGHF-GHMZBOCLSA-N 1 0 224.348 1.633 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000226379289 487725109 /nfs/dbraw/zinc/72/51/09/487725109.db2.gz CFHTVRMXKZNANO-SCZZXKLOSA-N 1 0 222.288 1.657 10 0 BDAERO O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250800566 487741390 /nfs/dbraw/zinc/74/13/90/487741390.db2.gz BJMXLRKHTOTUFE-ZSBIGDGJSA-N 1 0 222.332 1.245 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251082488 487748584 /nfs/dbraw/zinc/74/85/84/487748584.db2.gz HGLBDDCRKKJCGB-WJTVCTBASA-N 1 0 236.359 1.666 10 0 BDAERO [NH3+]CC1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCC1 ZINC000251210666 487750103 /nfs/dbraw/zinc/75/01/03/487750103.db2.gz LFVWRFGDHLXGRJ-JGPRNRPPSA-N 1 0 222.332 1.420 10 0 BDAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncncc1Cl ZINC000163768441 487766567 /nfs/dbraw/zinc/76/65/67/487766567.db2.gz YOENCHZIZBHEMU-RNFRBKRXSA-N 1 0 214.700 1.668 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000251645530 487780886 /nfs/dbraw/zinc/78/08/86/487780886.db2.gz JMWFDMDPAFIIGM-OUAUKWLOSA-N 1 0 210.321 1.230 10 0 BDAERO CN1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000309242016 487805736 /nfs/dbraw/zinc/80/57/36/487805736.db2.gz AXVCAXVJFKVCKH-CHWSQXEVSA-N 1 0 226.364 1.175 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cn[nH]c1 ZINC000678275659 487817360 /nfs/dbraw/zinc/81/73/60/487817360.db2.gz XBHORAMKKROJKA-YPMHNXCESA-N 1 0 234.347 1.468 10 0 BDAERO CN(Cc1ccco1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450693 487817530 /nfs/dbraw/zinc/81/75/30/487817530.db2.gz AMWPJMFUUOPRDZ-PWSUYJOCSA-N 1 0 236.315 1.613 10 0 BDAERO Cc1cnccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462551 487822474 /nfs/dbraw/zinc/82/24/74/487822474.db2.gz ZZCHINNENRRVMH-WDEREUQCSA-N 1 0 233.315 1.704 10 0 BDAERO Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089462007 487823739 /nfs/dbraw/zinc/82/37/39/487823739.db2.gz MFIFSACYIWQEIK-QWHCGFSZSA-N 1 0 247.342 1.381 10 0 BDAERO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000252687914 487829415 /nfs/dbraw/zinc/82/94/15/487829415.db2.gz MPTKOXMOAKYGCC-DBIOUOCHSA-N 1 0 210.321 1.134 10 0 BDAERO CC[C@H]1CN(c2ncncc2Cl)CC[C@H]1[NH3+] ZINC000252970674 487840869 /nfs/dbraw/zinc/84/08/69/487840869.db2.gz QKXOWXHRMHJUPE-WCBMZHEXSA-N 1 0 240.738 1.694 10 0 BDAERO CC1(C)CC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000395281177 487849036 /nfs/dbraw/zinc/84/90/36/487849036.db2.gz CPKOMKPWAUKJSY-RKDXNWHRSA-N 1 0 210.321 1.419 10 0 BDAERO OC[C@H]1COCC[N@@H+]1CC/C=C\c1ccccc1 ZINC000323398619 487850811 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CCC[C@H](C(=O)N1CC[C@H](C)[C@H]1C)[NH+](C)C ZINC000245929427 325534190 /nfs/dbraw/zinc/53/41/90/325534190.db2.gz YDZJDUZRTZIPFR-QJPTWQEYSA-N 1 0 226.364 1.974 10 0 BDAERO OC1CC(C[NH2+]Cc2cc(F)ccc2F)C1 ZINC000084445885 325582933 /nfs/dbraw/zinc/58/29/33/325582933.db2.gz VNSKVCFKQHWMAE-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCCC[C@H]1O)C(C)C ZINC000251382723 325676482 /nfs/dbraw/zinc/67/64/82/325676482.db2.gz ZOTWFXJMTPVCHK-SDDRHHMPSA-N 1 0 215.337 1.551 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2CC=CC2)C1 ZINC000155702863 326208151 /nfs/dbraw/zinc/20/81/51/326208151.db2.gz OSMVAXBKZHWIDI-YPMHNXCESA-N 1 0 236.359 1.798 10 0 BDAERO CC1CC(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000567657770 326239767 /nfs/dbraw/zinc/23/97/67/326239767.db2.gz OWMGYPCIMGYBDG-RUJICJSRSA-N 1 0 224.348 1.476 10 0 BDAERO CC1CC(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000567657768 326239770 /nfs/dbraw/zinc/23/97/70/326239770.db2.gz OWMGYPCIMGYBDG-POSLAHMBSA-N 1 0 224.348 1.476 10 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1 0 226.364 1.912 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1CCC1 ZINC000084309345 488044247 /nfs/dbraw/zinc/04/42/47/488044247.db2.gz QZXPVIXOJOAVIO-QWRGUYRKSA-N 1 0 210.321 1.278 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000052395652 488054888 /nfs/dbraw/zinc/05/48/88/488054888.db2.gz BLXGCDSNNXVFHI-GHMZBOCLSA-N 1 0 220.316 1.780 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000221719216 488056236 /nfs/dbraw/zinc/05/62/36/488056236.db2.gz MKENDFJFYSKQRN-RTXFEEFZSA-N 1 0 232.327 1.991 10 0 BDAERO C[C@@H]1C[C@H](O)C[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000401773097 488065352 /nfs/dbraw/zinc/06/53/52/488065352.db2.gz XQEOFOGWMCKBSX-VOAKCMCISA-N 1 0 227.348 1.240 10 0 BDAERO CO[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CC[C@@H]1C ZINC000230314960 488084326 /nfs/dbraw/zinc/08/43/26/488084326.db2.gz PIKJAPACZJSQNK-IRCOFANPSA-N 1 0 213.321 1.257 10 0 BDAERO Cc1cc(NC(=O)C2CCC([NH3+])CC2)nn1C ZINC000257711005 488085903 /nfs/dbraw/zinc/08/59/03/488085903.db2.gz RRCRJVLGNNGQMN-UHFFFAOYSA-N 1 0 236.319 1.185 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccccn1 ZINC000136312345 488093979 /nfs/dbraw/zinc/09/39/79/488093979.db2.gz QPFWSSOZOWZUTN-WDEREUQCSA-N 1 0 235.331 1.632 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1ccncc1 ZINC000136312845 488094097 /nfs/dbraw/zinc/09/40/97/488094097.db2.gz IZYQOBFTXBIQGW-LBPRGKRZSA-N 1 0 235.331 1.413 10 0 BDAERO CCn1nccc1CC[NH2+][C@@H](C)COC ZINC000389891002 488122599 /nfs/dbraw/zinc/12/25/99/488122599.db2.gz VYIOEBQDEPYUQR-JTQLQIEISA-N 1 0 211.309 1.070 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667796675 488123513 /nfs/dbraw/zinc/12/35/13/488123513.db2.gz RNUBRSXBLOMKBY-IHRRRGAJSA-N 1 0 238.375 1.628 10 0 BDAERO CC(C)c1nsc(NC[C@H]2COCC[NH2+]2)n1 ZINC000232787767 488123852 /nfs/dbraw/zinc/12/38/52/488123852.db2.gz VFHCLASVCLPKPR-QMMMGPOBSA-N 1 0 242.348 1.062 10 0 BDAERO C[C@@H](O)C[C@H]1CCC[N@@H+]1[C@@H]1CCC[C@H]1O ZINC000392883936 487556835 /nfs/dbraw/zinc/55/68/35/487556835.db2.gz 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226.320 1.605 10 0 BDAERO CC(C)Cc1noc([C@H]2CC[C@H](C[NH3+])O2)n1 ZINC000087044398 519479258 /nfs/dbraw/zinc/47/92/58/519479258.db2.gz XMDKKIHTNGEEAZ-RKDXNWHRSA-N 1 0 225.292 1.447 10 0 BDAERO CCC[N@@H+]1CC[C@H](N2CCOCC2)C[C@H]1C ZINC000252475278 519863594 /nfs/dbraw/zinc/86/35/94/519863594.db2.gz XMOZGVBWDAJKOY-OLZOCXBDSA-N 1 0 226.364 1.582 10 0 BDAERO CNC(=O)[C@@H](C[NH3+])Cc1ccc(F)c(Cl)c1 ZINC000088042510 524080983 /nfs/dbraw/zinc/08/09/83/524080983.db2.gz ZAHGDVCOKBKZMU-MRVPVSSYSA-N 1 0 244.697 1.343 10 0 BDAERO Cc1ccc(/C=C/C(=O)N2CC[NH2+]CC2)cc1C ZINC000229016957 525948712 /nfs/dbraw/zinc/94/87/12/525948712.db2.gz AVFOGTUVVKPLOB-AATRIKPKSA-N 1 0 244.338 1.748 10 0 BDAERO Cc1ccc(/C=C/C(=O)N2CC[C@H]([NH3+])C2)cc1C ZINC000229018129 525950262 /nfs/dbraw/zinc/95/02/62/525950262.db2.gz AIKJZAZWWUNBHV-GJBLVYBDSA-N 1 0 244.338 1.876 10 0 BDAERO c1nc2cccnc2n1[C@@H]1CCC[NH2+]C1 ZINC000258678803 526609785 /nfs/dbraw/zinc/60/97/85/526609785.db2.gz MTECARQAXQSLQY-SECBINFHSA-N 1 0 202.261 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CC(C)CC(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000393727804 582920820 /nfs/dbraw/zinc/92/08/20/582920820.db2.gz APARVOHOIOZCAV-LLVKDONJSA-N 1 0 212.337 1.620 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897491 534967905 /nfs/dbraw/zinc/96/79/05/534967905.db2.gz PQGPLXQYASCADI-NWDGAFQWSA-N 1 0 239.363 1.521 10 0 BDAERO CCCNC(=O)C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000084340994 535078931 /nfs/dbraw/zinc/07/89/31/535078931.db2.gz IHVOLIZAOZHHAJ-NEPJUHHUSA-N 1 0 226.364 1.929 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000251632518 535149973 /nfs/dbraw/zinc/14/99/73/535149973.db2.gz FMGAMQFWUVPFLK-BFHYXJOUSA-N 1 0 240.391 1.562 10 0 BDAERO CCCCN(C(=O)[C@H]1CC[C@@H](C[NH3+])O1)C1CC1 ZINC000094568287 535188535 /nfs/dbraw/zinc/18/85/35/535188535.db2.gz BRAGVSUKLSMBQU-NWDGAFQWSA-N 1 0 240.347 1.284 10 0 BDAERO CC(C)(O)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000227337789 535286437 /nfs/dbraw/zinc/28/64/37/535286437.db2.gz ALTNMNVADRVFBF-NEPJUHHUSA-N 1 0 227.348 1.791 10 0 BDAERO CC(C)(O)CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250365018 535286659 /nfs/dbraw/zinc/28/66/59/535286659.db2.gz NAHAVNZINODJEC-GXTWGEPZSA-N 1 0 241.375 1.774 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCO[C@@H]1C ZINC000227838217 535304716 /nfs/dbraw/zinc/30/47/16/535304716.db2.gz MHGYYWKLRYONNM-UPJWGTAASA-N 1 0 228.380 1.730 10 0 BDAERO CC1(C)CN(C(=O)Cc2cccnc2)CC[C@H]1[NH3+] ZINC000258967376 535336648 /nfs/dbraw/zinc/33/66/48/535336648.db2.gz CKMGABPYMIXCFN-GFCCVEGCSA-N 1 0 247.342 1.210 10 0 BDAERO CC1(C)CN(c2ncc(Cl)cn2)CC[C@@H]1[NH3+] ZINC000261568879 535360083 /nfs/dbraw/zinc/36/00/83/535360083.db2.gz FWYFKFSVIKVCQU-VIFPVBQESA-N 1 0 240.738 1.694 10 0 BDAERO CC[NH2+]Cc1cc(N2CCOCC2)ccn1 ZINC000051399207 535478824 /nfs/dbraw/zinc/47/88/24/535478824.db2.gz SXTGTWHNUIVNGO-UHFFFAOYSA-N 1 0 221.304 1.028 10 0 BDAERO CC[NH2+]Cc1cccc(N2CCSCC2)n1 ZINC000051437850 535479341 /nfs/dbraw/zinc/47/93/41/535479341.db2.gz PAIZDFVQZAIHTD-UHFFFAOYSA-N 1 0 237.372 1.744 10 0 BDAERO CC[NH2+]Cc1cccc(N2CCC(OC)CC2)n1 ZINC000051442942 535479354 /nfs/dbraw/zinc/47/93/54/535479354.db2.gz JZSUFDCZOXVRGY-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO CC[NH2+]Cc1cccc(N2CCOC[C@@H]2C)n1 ZINC000051443920 535479400 /nfs/dbraw/zinc/47/94/00/535479400.db2.gz YATUWWXAWNMOID-NSHDSACASA-N 1 0 235.331 1.416 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CS(=O)(=O)CC ZINC000252728809 535494589 /nfs/dbraw/zinc/49/45/89/535494589.db2.gz CWYCCSVQRIUYKQ-GMTAPVOTSA-N 1 0 233.377 1.588 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000087479314 535541083 /nfs/dbraw/zinc/54/10/83/535541083.db2.gz JXNFIFMYFWDWHU-OLZOCXBDSA-N 1 0 226.364 1.485 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)C ZINC000176368110 535585975 /nfs/dbraw/zinc/58/59/75/535585975.db2.gz PMQQLOLGTQDGTP-LBPRGKRZSA-N 1 0 241.379 1.768 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccnc(C)n1 ZINC000175167444 535592591 /nfs/dbraw/zinc/59/25/91/535592591.db2.gz UYXIYQUJRQKJAL-LBPRGKRZSA-N 1 0 234.347 1.706 10 0 BDAERO CCO[C@H]1C[C@@H](O)C12CC[NH+](C1CCC1)CC2 ZINC000178996304 535647693 /nfs/dbraw/zinc/64/76/93/535647693.db2.gz LASPHABOPGYBFB-OLZOCXBDSA-N 1 0 239.359 1.791 10 0 BDAERO CCOc1cc(N[C@H](C)CCC[NH3+])ncn1 ZINC000087362230 535686590 /nfs/dbraw/zinc/68/65/90/535686590.db2.gz RHWFEVRQLICYIS-SECBINFHSA-N 1 0 224.308 1.415 10 0 BDAERO C[NH+](C)C[C@@H]1CN([C@H]2C=CCCC2)CCO1 ZINC000171746727 535947905 /nfs/dbraw/zinc/94/79/05/535947905.db2.gz IWQJIQHMXXORNG-QWHCGFSZSA-N 1 0 224.348 1.358 10 0 BDAERO CCc1cc(C(=O)NCC2C[NH2+]C2)sc1C ZINC000261954056 536118368 /nfs/dbraw/zinc/11/83/68/536118368.db2.gz QHKDRIDRZPLVTI-UHFFFAOYSA-N 1 0 238.356 1.568 10 0 BDAERO CCc1nnc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)[nH]1 ZINC000248567077 536138418 /nfs/dbraw/zinc/13/84/18/536138418.db2.gz LBYMFEBLSNPOTP-MNOVXSKESA-N 1 0 249.362 1.036 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2cc(C)cc3ncnn32)C1 ZINC000053204947 536365302 /nfs/dbraw/zinc/36/53/02/536365302.db2.gz KMDNYFOPBLNPAE-LLVKDONJSA-N 1 0 245.330 1.226 10 0 BDAERO COC(=O)[C@H](C)C[N@H+](C)[C@H]1CCSC1 ZINC000252448021 536606608 /nfs/dbraw/zinc/60/66/08/536606608.db2.gz RFJARNGNQURFFZ-BDAKNGLRSA-N 1 0 217.334 1.233 10 0 BDAERO COC1(C[NH+]2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000335700703 536631497 /nfs/dbraw/zinc/63/14/97/536631497.db2.gz CXRHLUPCBDMBAU-QWRGUYRKSA-N 1 0 213.321 1.665 10 0 BDAERO CO[C@@H]1COC[C@H]1[N@@H+]1CCCC(C)(C)C1 ZINC000336201770 536757067 /nfs/dbraw/zinc/75/70/67/536757067.db2.gz KXEJTZWFXUMGFY-GHMZBOCLSA-N 1 0 213.321 1.522 10 0 BDAERO COC1CCN(c2cccc(C[NH3+])n2)CC1 ZINC000051396785 536758294 /nfs/dbraw/zinc/75/82/94/536758294.db2.gz GFOZHOBPJKFFGY-UHFFFAOYSA-N 1 0 221.304 1.156 10 0 BDAERO COCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037186433 536895261 /nfs/dbraw/zinc/89/52/61/536895261.db2.gz HFDUDILWXTWHHS-NSHDSACASA-N 1 0 234.299 1.330 10 0 BDAERO COc1cccc2c1N(C(=O)C[C@H](C)[NH3+])CCC2 ZINC000037839098 536958772 /nfs/dbraw/zinc/95/87/72/536958772.db2.gz MQNKEEYJHYGFKP-JTQLQIEISA-N 1 0 248.326 1.712 10 0 BDAERO COc1ccccc1/C=C/CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261995875 536980444 /nfs/dbraw/zinc/98/04/44/536980444.db2.gz KTUQCSUGGQGNNE-FROLJDDGSA-N 1 0 246.354 1.987 10 0 BDAERO COc1ccccc1N1CC[NH2+]C(C)(C)C1 ZINC000058442625 537071859 /nfs/dbraw/zinc/07/18/59/537071859.db2.gz DJYGLSSCFLHJQA-UHFFFAOYSA-N 1 0 220.316 1.883 10 0 BDAERO CC(C)(C)NC(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669380661 566425685 /nfs/dbraw/zinc/42/56/85/566425685.db2.gz OWIJZKAYBREEBN-SNVBAGLBSA-N 1 0 237.294 1.457 10 0 BDAERO COCCCNc1cc(OC)cc(C)[nH+]1 ZINC000669381386 566427024 /nfs/dbraw/zinc/42/70/24/566427024.db2.gz HUYTZQWVYJRCHK-UHFFFAOYSA-N 1 0 210.277 1.847 10 0 BDAERO [NH3+][C@H](c1ncccn1)[C@@H]1CCOC2(CCC2)C1 ZINC000094398482 566456324 /nfs/dbraw/zinc/45/63/24/566456324.db2.gz NFBFFYVBAYYUBT-MNOVXSKESA-N 1 0 233.315 1.826 10 0 BDAERO OC[C@@H](CC[NH2+]C1CC1)C1CCOCC1 ZINC000685963796 566487796 /nfs/dbraw/zinc/48/77/96/566487796.db2.gz XBJYVYLVBSFCDQ-LLVKDONJSA-N 1 0 213.321 1.164 10 0 BDAERO C[NH+](C)CCc1c[nH]c2cc(O)ccc12 ZINC000002039538 560124753 /nfs/dbraw/zinc/12/47/53/560124753.db2.gz WUQMRWPLIMXBDX-UHFFFAOYSA-N 1 0 204.273 1.978 10 0 biogenic,in-vivo BDAERO C[C@H]1C[C@]2(CN1C)[NH2+]CCc1sccc12 ZINC000397191920 583098471 /nfs/dbraw/zinc/09/84/71/583098471.db2.gz PCFMPLLGZGJXIH-JOYOIKCWSA-N 1 0 222.357 1.813 10 0 BDAERO CC(C)(C)OC(=O)N1[C@H](C[NH3+])C[C@@H]2OCC[C@@H]21 ZINC000757122918 582497882 /nfs/dbraw/zinc/49/78/82/582497882.db2.gz OIMPGVGLMDMDKP-GUBZILKMSA-N 1 0 242.319 1.112 10 0 BDAERO C[NH2+]Cc1csc([C@@H](O)C(C)(C)C)n1 ZINC000757123310 582498311 /nfs/dbraw/zinc/49/83/11/582498311.db2.gz ARQJDASBGYAEFK-MRVPVSSYSA-N 1 0 214.334 1.942 10 0 BDAERO C[C@H]1CC[C@@]2(CCCN2CCCF)C[NH2+]1 ZINC000757125396 582500126 /nfs/dbraw/zinc/50/01/26/582500126.db2.gz DJZNJGVPDDQOAZ-RYUDHWBXSA-N 1 0 214.328 1.953 10 0 BDAERO C[NH2+]Cc1csc([C@H](O)C2(C)CC2)n1 ZINC000757125700 582500143 /nfs/dbraw/zinc/50/01/43/582500143.db2.gz FVBSSCKTNLLJFQ-QMMMGPOBSA-N 1 0 212.318 1.696 10 0 BDAERO C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757126432 582500965 /nfs/dbraw/zinc/50/09/65/582500965.db2.gz FRMAEGNKRRCBJI-KWCYVHTRSA-N 1 0 220.360 1.955 10 0 BDAERO Cc1nc([C@H](O)C2CC2)sc1CC[NH3+] ZINC000757129314 582503951 /nfs/dbraw/zinc/50/39/51/582503951.db2.gz MXAREIAQRDJTED-SECBINFHSA-N 1 0 212.318 1.396 10 0 BDAERO CCC[C@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757129232 582504756 /nfs/dbraw/zinc/50/47/56/582504756.db2.gz MDTDPHWABFSDRF-QMMMGPOBSA-N 1 0 214.334 1.786 10 0 BDAERO C[C@@H]1[NH2+][C@@]2(CCCSC2)OCC12CC2 ZINC000757138316 582517161 /nfs/dbraw/zinc/51/71/61/582517161.db2.gz BHRHVFUBAGKTID-ONGXEEELSA-N 1 0 213.346 1.998 10 0 BDAERO C[C@H]1CC[NH2+]C2(CC(CF)(CF)C2)O1 ZINC000757138307 582517287 /nfs/dbraw/zinc/51/72/87/582517287.db2.gz BJZJOYMJXFZUDE-QMMMGPOBSA-N 1 0 205.248 1.800 10 0 BDAERO CC1(C)C[NH2+][C@]2(CCCSC2)OC1 ZINC000757139104 582518994 /nfs/dbraw/zinc/51/89/94/582518994.db2.gz DFYILVAKIBBZKF-SNVBAGLBSA-N 1 0 201.335 1.856 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ccc(C(F)F)cn1 ZINC000757139366 582519852 /nfs/dbraw/zinc/51/98/52/582519852.db2.gz BDMBPRQALHKIHM-MRVPVSSYSA-N 1 0 213.231 1.557 10 0 BDAERO c1ccc([C@H]2CCO[C@@]3(CCC[NH2+]C3)N2)cc1 ZINC000757144450 582525838 /nfs/dbraw/zinc/52/58/38/582525838.db2.gz OBNVJDMQQUWQCJ-ZIAGYGMSSA-N 1 0 232.327 1.817 10 0 BDAERO C1CC2(C1)CC[NH2+][C@]1(CN3CCC1CC3)O2 ZINC000757146082 582529293 /nfs/dbraw/zinc/52/92/93/582529293.db2.gz JFJYUCAUNOSDDK-CYBMUJFWSA-N 1 0 222.332 1.341 10 0 BDAERO C1C[C@@]2(CO1)CC[NH2+]C1(CCSCC1)O2 ZINC000757148896 582532938 /nfs/dbraw/zinc/53/29/38/582532938.db2.gz VOURDUOTNDFLGN-SNVBAGLBSA-N 1 0 229.345 1.379 10 0 BDAERO CC(C)[C@@H]1OC2(CC[NH+](C)CC2)NCC12CC2 ZINC000757150131 582533649 /nfs/dbraw/zinc/53/36/49/582533649.db2.gz XCMOBONURINNNY-LBPRGKRZSA-N 1 0 238.375 1.833 10 0 BDAERO COC[C@H]([NH3+])CSCc1occc1C ZINC000757165733 582547094 /nfs/dbraw/zinc/54/70/94/582547094.db2.gz NNIXBVCWYBNETN-VIFPVBQESA-N 1 0 215.318 1.795 10 0 BDAERO CCC1=NN(c2ccc(O)cc2)C(=O)C1N ZINC000757170995 582550687 /nfs/dbraw/zinc/55/06/87/582550687.db2.gz MQVWLSFQMWWECD-UHFFFAOYSA-N 1 0 219.244 1.428 10 0 BDAERO [NH3+]C[C@@H](O)CCSCc1ccc(Cl)o1 ZINC000757172760 582551666 /nfs/dbraw/zinc/55/16/66/582551666.db2.gz ZRCGJWXCADKRAG-ZETCQYMHSA-N 1 0 235.736 1.876 10 0 BDAERO [NH3+]C[C@H]1CC(=O)Nc2c(F)ccc(Cl)c21 ZINC000757176005 582553421 /nfs/dbraw/zinc/55/34/21/582553421.db2.gz UWJDRFWLSHVAQF-RXMQYKEDSA-N 1 0 228.654 1.864 10 0 BDAERO Cc1cncc(S(=O)(=O)CC[NH2+]C(C)C)c1 ZINC000757207635 582558906 /nfs/dbraw/zinc/55/89/06/582558906.db2.gz DVXQWXHGPYWIOI-UHFFFAOYSA-N 1 0 242.344 1.162 10 0 BDAERO CC(=O)c1cccc([C@H]2CC[NH2+][C@H](CN)C2)c1 ZINC000757213278 582560629 /nfs/dbraw/zinc/56/06/29/582560629.db2.gz JFSIJMXIVZBXBS-KBPBESRZSA-N 1 0 232.327 1.684 10 0 BDAERO CC(=O)c1ccc([C@@H]2NC[C@@H](C)C[C@@H]2[NH3+])cc1 ZINC000757218523 582562288 /nfs/dbraw/zinc/56/22/88/582562288.db2.gz VNMFEAOOVKQPST-HERUPUMHSA-N 1 0 232.327 1.887 10 0 BDAERO C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757220278 582563130 /nfs/dbraw/zinc/56/31/30/582563130.db2.gz XYRCCCOPCOJFPN-OASPWFOLSA-N 1 0 248.326 1.659 10 0 BDAERO Cc1cn2c([nH+]1)N[C@H]([C@H]1CC[C@@H](C)O1)CC2 ZINC000235376528 582570404 /nfs/dbraw/zinc/57/04/04/582570404.db2.gz WVIFYNDGPIJPLZ-OUAUKWLOSA-N 1 0 221.304 1.943 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@@H]2c2ccncc2)N1 ZINC000235694647 582603021 /nfs/dbraw/zinc/60/30/21/582603021.db2.gz WJDDQTZWMKWWTP-GXSJLCMTSA-N 1 0 216.288 1.176 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@@H]2c2ccccc2)N1 ZINC000235694495 582603042 /nfs/dbraw/zinc/60/30/42/582603042.db2.gz MNPDGNSFWZIEOX-CMPLNLGQSA-N 1 0 215.300 1.781 10 0 BDAERO Cc1ccc([C@H]2CC[NH+]=C(N)N2)c(C)c1 ZINC000235894944 582619543 /nfs/dbraw/zinc/61/95/43/582619543.db2.gz OUSTWCWCKPADAE-LLVKDONJSA-N 1 0 203.289 1.653 10 0 BDAERO Cn1cc([C@H]2CCn3cc[nH+]c3N2)cn1 ZINC000236114172 582639127 /nfs/dbraw/zinc/63/91/27/582639127.db2.gz XLVXDIWFPXCVFN-SECBINFHSA-N 1 0 203.249 1.174 10 0 BDAERO Fc1ccc([C@H]2CCNc3[nH+]ccn32)nc1 ZINC000236239811 582642651 /nfs/dbraw/zinc/64/26/51/582642651.db2.gz LBIMHYTYOAHQMS-SNVBAGLBSA-N 1 0 218.235 1.822 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCN2CCCCC2)C1 ZINC000104414444 582793132 /nfs/dbraw/zinc/79/31/32/582793132.db2.gz CUQSGAYOQOLRQF-CQSZACIVSA-N 1 0 238.375 1.773 10 0 BDAERO Cc1cc2c(ncnc2N2CC[NH2+][C@@H](C)C2)s1 ZINC000104364303 582793304 /nfs/dbraw/zinc/79/33/04/582793304.db2.gz XYPZNYAJTFQVLT-QMMMGPOBSA-N 1 0 248.355 1.798 10 0 BDAERO O=C1Nc2c(F)cccc2[C@]2(CC[NH2+]C2)O1 ZINC000259332916 582823525 /nfs/dbraw/zinc/82/35/25/582823525.db2.gz DEOGIZSLLLPKLF-LLVKDONJSA-N 1 0 222.219 1.576 10 0 BDAERO Nc1[nH+]ccn1CCSC(F)(F)F ZINC000702499211 582927014 /nfs/dbraw/zinc/92/70/14/582927014.db2.gz QLTDRBLTHVLSCG-UHFFFAOYSA-N 1 0 211.212 1.718 10 0 BDAERO Nc1[nH+]ccn1Cc1ncccc1Cl ZINC000702555906 582927031 /nfs/dbraw/zinc/92/70/31/582927031.db2.gz KMLKNOKUUCXYRW-UHFFFAOYSA-N 1 0 208.652 1.562 10 0 BDAERO FC1(C[NH2+][C@H]2CCc3nccn3C2)CC1 ZINC000394463747 582978006 /nfs/dbraw/zinc/97/80/06/582978006.db2.gz JFNAYGCCJDRTLI-VIFPVBQESA-N 1 0 209.268 1.290 10 0 BDAERO C[C@@H](CCC1CC1)[NH2+]C1CCN(CCO)CC1 ZINC000399007990 583169105 /nfs/dbraw/zinc/16/91/05/583169105.db2.gz VMHLOSVIRCHGCK-LBPRGKRZSA-N 1 0 240.391 1.611 10 0 BDAERO COc1ccc(-c2ccc(C[NH3+])nn2)c(F)c1 ZINC000757573822 586382869 /nfs/dbraw/zinc/38/28/69/586382869.db2.gz ZBOSCTXMCZGSPS-UHFFFAOYSA-N 1 0 233.246 1.750 10 0 BDAERO CCOCC(=O)c1nc(C)c(CC[NH3+])s1 ZINC000757127557 586426596 /nfs/dbraw/zinc/42/65/96/586426596.db2.gz ZKZKLZSZPMVWER-UHFFFAOYSA-N 1 0 228.317 1.172 10 0 BDAERO C1CC1[C@H]1C[NH2+][C@]2(CCCSC2)OC1 ZINC000757144153 586428245 /nfs/dbraw/zinc/42/82/45/586428245.db2.gz FZVVUJIENUOMOS-WDEREUQCSA-N 1 0 213.346 1.856 10 0 BDAERO CCCN(C)S(=O)(=O)C[C@H]([NH3+])C(C)(C)C ZINC000757150884 586428653 /nfs/dbraw/zinc/42/86/53/586428653.db2.gz JIDJUAVLQWZLPQ-VIFPVBQESA-N 1 0 236.381 1.031 10 0 BDAERO CCc1c(C[NH3+])cnn1-c1ccc(O)cc1 ZINC000757170432 586433235 /nfs/dbraw/zinc/43/32/35/586433235.db2.gz DEKOJYXTZRRBHY-UHFFFAOYSA-N 1 0 217.272 1.599 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC12CC(CF)(CF)C2 ZINC000757184883 586434153 /nfs/dbraw/zinc/43/41/53/586434153.db2.gz NLTNCCOFNGKDSC-MRVPVSSYSA-N 1 0 233.258 1.084 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1[C@@H]1CCOC1 ZINC000757188536 586434948 /nfs/dbraw/zinc/43/49/48/586434948.db2.gz KDJTXQMAVWAZKT-GMTAPVOTSA-N 1 0 241.331 1.200 10 0 BDAERO Cc1nn(Cc2ccccc2)cc1C(N)=[NH2+] ZINC000757191977 586435963 /nfs/dbraw/zinc/43/59/63/586435963.db2.gz RVSSTDUBANOMRR-UHFFFAOYSA-N 1 0 214.272 1.524 10 0 BDAERO CC(=O)c1ccc([C@@H]2CC[NH2+]C[C@@H]2N)cc1 ZINC000757209855 586438456 /nfs/dbraw/zinc/43/84/56/586438456.db2.gz DGRIRFWPDBKPHF-STQMWFEESA-N 1 0 218.300 1.293 10 0 BDAERO [NH3+][C@@H]1CCCN[C@H]1c1cccc(C(=O)[O-])c1 ZINC000757215093 586440421 /nfs/dbraw/zinc/44/04/21/586440421.db2.gz MJLHVVUKMNVBAP-MNOVXSKESA-N 1 0 220.272 1.137 10 0 BDAERO CC(=O)c1ccc([C@@H]2CC[C@@H](CN)[NH2+]C2)cc1 ZINC000757215400 586440761 /nfs/dbraw/zinc/44/07/61/586440761.db2.gz NJSNLLNRFBCQGS-KGLIPLIRSA-N 1 0 232.327 1.684 10 0 BDAERO N[C@@H]1C[NH2+]CC[C@H]1c1cccc2cc[nH]c21 ZINC000757217119 586441159 /nfs/dbraw/zinc/44/11/59/586441159.db2.gz RHZGYLSYUNJAPZ-CMPLNLGQSA-N 1 0 215.300 1.572 10 0 BDAERO [NH3+]Cc1cccc([C@H]2CC[NH2+][C@H](C(=O)[O-])C2)c1 ZINC000757220826 586442023 /nfs/dbraw/zinc/44/20/23/586442023.db2.gz ZONSAOILFSZTNA-RYUDHWBXSA-N 1 0 234.299 1.066 10 0 BDAERO C[C@@H]1CC[C@H]([NH3+])[C@H](c2cnn(C(C)(C)C)c2)N1 ZINC000757228630 586442586 /nfs/dbraw/zinc/44/25/86/586442586.db2.gz DFAPWTAFLNKXTF-USWWRNFRSA-N 1 0 236.363 1.778 10 0 BDAERO Cc1sc([C@@H]2C[NH2+]C[C@H]([NH3+])C2)cc1C(=O)[O-] ZINC000757231249 586443159 /nfs/dbraw/zinc/44/31/59/586443159.db2.gz HJESKODEAQBJCP-JGVFFNPUSA-N 1 0 240.328 1.159 10 0 BDAERO CC(C)(C)n1cc([C@H]2CC[C@@H]([NH3+])CN2)cn1 ZINC000757231107 586443374 /nfs/dbraw/zinc/44/33/74/586443374.db2.gz GKBLHDPJTVFYOQ-GHMZBOCLSA-N 1 0 222.336 1.390 10 0 BDAERO CC(C)(C)n1cc([C@H]2NCCC[C@H]2[NH3+])cn1 ZINC000757235846 586443651 /nfs/dbraw/zinc/44/36/51/586443651.db2.gz MXQAGOWHVHDLIH-GHMZBOCLSA-N 1 0 222.336 1.390 10 0 BDAERO C[C@@H]1N[C@@H](c2cnn(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000757239486 586444451 /nfs/dbraw/zinc/44/44/51/586444451.db2.gz UINLNCNTUHHCJA-ZMLRMANQSA-N 1 0 236.363 1.778 10 0 BDAERO CC[C@]1([NH3+])CC=C(c2cnnn2C)CC1 ZINC000757568300 586461677 /nfs/dbraw/zinc/46/16/77/586461677.db2.gz QVIOVIMXVHSNTN-NSHDSACASA-N 1 0 206.293 1.490 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)c1nc(Cc2ccncc2)no1 ZINC000109508991 588564368 /nfs/dbraw/zinc/56/43/68/588564368.db2.gz GTLRJRBSWZAIFZ-DTWKUNHWSA-N 1 0 232.287 1.506 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2ccncc2)no1 ZINC000109508972 588564628 /nfs/dbraw/zinc/56/46/28/588564628.db2.gz MEPZIPAFWNYRJM-NSHDSACASA-N 1 0 246.314 1.581 10 0 BDAERO C[NH2+]CCCNC(=O)[C@H](C)Cc1ccccc1 ZINC000121694577 589526627 /nfs/dbraw/zinc/52/66/27/589526627.db2.gz IEYUHWBNLDJAMH-GFCCVEGCSA-N 1 0 234.343 1.591 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)N1CCCC1 ZINC000122627576 589610906 /nfs/dbraw/zinc/61/09/06/589610906.db2.gz OYOQNOYIUXODOA-NSHDSACASA-N 1 0 225.336 1.086 10 0 BDAERO COCC[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000122844322 589639040 /nfs/dbraw/zinc/63/90/40/589639040.db2.gz SWOPCWUGQCXRDQ-DCAQKATOSA-N 1 0 229.320 1.152 10 0 BDAERO C[C@H]1C[N@H+](CCC2OCCCO2)C[C@@H]1N(C)C ZINC000124579951 590059957 /nfs/dbraw/zinc/05/99/57/590059957.db2.gz ALSHOHCXHUZQGX-RYUDHWBXSA-N 1 0 242.363 1.021 10 0 BDAERO COCCOCCC[NH2+]CCc1ccccc1 ZINC000020191822 590082898 /nfs/dbraw/zinc/08/28/98/590082898.db2.gz MQQJKQXDOCYYGA-UHFFFAOYSA-N 1 0 237.343 1.872 10 0 BDAERO Clc1cncc(N[C@H]2CCC[NH2+]C2)n1 ZINC000126481622 590319807 /nfs/dbraw/zinc/31/98/07/590319807.db2.gz FPTQJQCFMQHZHA-ZETCQYMHSA-N 1 0 212.684 1.294 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1cncc(Cl)n1 ZINC000126499744 590321471 /nfs/dbraw/zinc/32/14/71/590321471.db2.gz SXMIUHRAIPRHPZ-JGVFFNPUSA-N 1 0 226.711 1.669 10 0 BDAERO [NH3+]C1CCC(Nc2cncc(Cl)n2)CC1 ZINC000126506100 590322643 /nfs/dbraw/zinc/32/26/43/590322643.db2.gz PWPCKTUKEYCMHT-UHFFFAOYSA-N 1 0 226.711 1.812 10 0 BDAERO CC(C)[C@H]([NH3+])CCN(C)c1cncc(Cl)n1 ZINC000126519666 590323612 /nfs/dbraw/zinc/32/36/12/590323612.db2.gz UYPVARMXCPPMPJ-SECBINFHSA-N 1 0 242.754 1.940 10 0 BDAERO CC(C)[C@@H]([NH3+])CCN(C)c1cncc(Cl)n1 ZINC000126519911 590324534 /nfs/dbraw/zinc/32/45/34/590324534.db2.gz UYPVARMXCPPMPJ-VIFPVBQESA-N 1 0 242.754 1.940 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127822392 590793127 /nfs/dbraw/zinc/79/31/27/590793127.db2.gz UDYHVCIRBBPKEX-WCQYABFASA-N 1 0 232.327 1.343 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=S)NC(C)C ZINC000128941633 591192173 /nfs/dbraw/zinc/19/21/73/591192173.db2.gz LAOOEIIHWJAECH-LLVKDONJSA-N 1 0 243.420 1.685 10 0 BDAERO O=C(n1ccnc1)N1CCN2CCCC[C@@H]2C1 ZINC000129867184 591414697 /nfs/dbraw/zinc/41/46/97/591414697.db2.gz GXSXSRUFNFWOQB-LLVKDONJSA-N 1 0 234.303 1.021 10 0 BDAERO O=C(n1ccnc1)N1CCN2CCCC[C@H]2C1 ZINC000129867396 591415089 /nfs/dbraw/zinc/41/50/89/591415089.db2.gz GXSXSRUFNFWOQB-NSHDSACASA-N 1 0 234.303 1.021 10 0 BDAERO Cc1nccnc1NCc1ccc(CC[NH3+])cc1 ZINC000214308365 591545643 /nfs/dbraw/zinc/54/56/43/591545643.db2.gz DAKLQFUUSGTZPH-UHFFFAOYSA-N 1 0 242.326 1.898 10 0 BDAERO CO[C@H](c1noc([C@@H](C)[C@@H](C)[NH3+])n1)C1CC1 ZINC000131244988 591577417 /nfs/dbraw/zinc/57/74/17/591577417.db2.gz OQBIQDZQVFGRGD-OOZYFLPDSA-N 1 0 225.292 1.618 10 0 BDAERO CO[C@H](c1noc(CNC2CC2)n1)C1CC1 ZINC000131251289 591579236 /nfs/dbraw/zinc/57/92/36/591579236.db2.gz SBTKZGPPZAKMKS-JTQLQIEISA-N 1 0 223.276 1.419 10 0 BDAERO C[C@H]([NH2+]CC[S@@](C)=O)c1cc(F)ccc1F ZINC000133787156 591856858 /nfs/dbraw/zinc/85/68/58/591856858.db2.gz CPFQDZDXSSEOBA-PWJLMRLQSA-N 1 0 247.310 1.994 10 0 BDAERO Cn1nccc1CC[NH2+]CCc1ccccc1 ZINC000221274547 592403110 /nfs/dbraw/zinc/40/31/10/592403110.db2.gz AEZZHAAQCAGJKA-UHFFFAOYSA-N 1 0 229.327 1.795 10 0 BDAERO C[C@H]1CN(CCc2cccs2)C[C@H]1[NH3+] ZINC000300050292 592501234 /nfs/dbraw/zinc/50/12/34/592501234.db2.gz YJAKJTKXJJIJDR-GXSJLCMTSA-N 1 0 210.346 1.570 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000300419302 592512415 /nfs/dbraw/zinc/51/24/15/592512415.db2.gz AHFILCSCQRQMLI-KKUMJFAQSA-N 1 0 249.354 1.861 10 0 BDAERO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000301044835 592527193 /nfs/dbraw/zinc/52/71/93/592527193.db2.gz XTXCHXVWXPPMMT-RKDXNWHRSA-N 1 0 243.738 1.467 10 0 BDAERO Cc1nc(-c2noc(C[C@H]([NH3+])C(C)C)n2)co1 ZINC000302510709 592549662 /nfs/dbraw/zinc/54/96/62/592549662.db2.gz BYFAYCPUUZHCAP-QMMMGPOBSA-N 1 0 236.275 1.559 10 0 BDAERO CC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000299990850 634407658 /nfs/dbraw/zinc/40/76/58/634407658.db2.gz ASGITVQVGBGNSQ-UHTWSYAYSA-N 1 0 225.332 1.855 10 0 BDAERO COc1ccsc1C[NH2+][C@@H](C)[C@@H](C)O ZINC000336665568 635198743 /nfs/dbraw/zinc/19/87/43/635198743.db2.gz VHRFLESGEPYVGJ-JGVFFNPUSA-N 1 0 215.318 1.616 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000336770666 635288584 /nfs/dbraw/zinc/28/85/84/635288584.db2.gz VUISXLHNYPUIDM-IZUQBHJASA-N 1 0 215.337 1.691 10 0 BDAERO CCCc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084521 635467583 /nfs/dbraw/zinc/46/75/83/635467583.db2.gz VODMDACVYONBMI-SECBINFHSA-N 1 0 209.293 1.564 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC000094996900 635509913 /nfs/dbraw/zinc/50/99/13/635509913.db2.gz XAADZELXXSBLQI-MNOVXSKESA-N 1 0 211.305 1.694 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NCCCCCC[NH3+])O1 ZINC000235287209 635572569 /nfs/dbraw/zinc/57/25/69/635572569.db2.gz NSCYATYXZPCIOI-GHMZBOCLSA-N 1 0 228.336 1.189 10 0 BDAERO COC1CC([NH2+][C@H]2CC[C@H]2SC)C1 ZINC000308253392 631219789 /nfs/dbraw/zinc/21/97/89/631219789.db2.gz HEMQLPZBUIWXAJ-HORUIINNSA-N 1 0 201.335 1.647 10 0 BDAERO C[Si](C)(C)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000308373462 631312931 /nfs/dbraw/zinc/31/29/31/631312931.db2.gz LXXRBEGZEWIKCP-JTQLQIEISA-N 1 0 201.386 1.568 10 0 BDAERO Clc1cccc(NC[C@H]2CCC[NH2+]2)n1 ZINC000236051154 631547699 /nfs/dbraw/zinc/54/76/99/631547699.db2.gz GYAYDYYFZSRPTP-MRVPVSSYSA-N 1 0 211.696 1.899 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CC(C)(C)C[C@@H]2C ZINC000234541892 631571949 /nfs/dbraw/zinc/57/19/49/631571949.db2.gz FXTXMTNAKOMXPE-OUJBWJOFSA-N 1 0 225.332 1.821 10 0 BDAERO CCCc1noc([C@@H]2CC23CC[NH2+]CC3)n1 ZINC000308978568 631781347 /nfs/dbraw/zinc/78/13/47/631781347.db2.gz QBEZDWBGFFQQLB-VIFPVBQESA-N 1 0 221.304 1.879 10 0 BDAERO CC[S@](=O)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309028631 631809247 /nfs/dbraw/zinc/80/92/47/631809247.db2.gz CGCOYMMBYVSVFK-RWSFTLGLSA-N 1 0 235.368 1.873 10 0 BDAERO CC[S@](=O)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309028629 631810000 /nfs/dbraw/zinc/81/00/00/631810000.db2.gz CGCOYMMBYVSVFK-HFAKWTLXSA-N 1 0 235.368 1.873 10 0 BDAERO Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)O ZINC000309065043 631830482 /nfs/dbraw/zinc/83/04/82/631830482.db2.gz YWQXQHWSVGEDFF-VHSXEESVSA-N 1 0 211.280 1.993 10 0 BDAERO CSC(C)(C)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000158263809 631844058 /nfs/dbraw/zinc/84/40/58/631844058.db2.gz OJFRRICQYBKQHY-RKDXNWHRSA-N 1 0 230.377 1.372 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C\Cl ZINC000255547744 631997606 /nfs/dbraw/zinc/99/76/06/631997606.db2.gz QIHWDGQJCOBNKJ-VRJVPJCWSA-N 1 0 214.740 1.907 10 0 BDAERO c1nc2c([nH]1)[C@@]1(CCCSC1)[NH2+]CC2 ZINC000259517087 632032871 /nfs/dbraw/zinc/03/28/71/632032871.db2.gz QXEKLMJVFYZLAN-JTQLQIEISA-N 1 0 209.318 1.278 10 0 BDAERO CCOc1ccccc1C(=O)NCC1CC([NH3+])C1 ZINC000091525387 632053291 /nfs/dbraw/zinc/05/32/91/632053291.db2.gz AOGBPAIUUFZGQW-UHFFFAOYSA-N 1 0 248.326 1.552 10 0 BDAERO c1nc2c([nH]1)[C@H]([C@@H]1CCCCO1)[NH2+]CC2 ZINC000259559490 632059552 /nfs/dbraw/zinc/05/95/52/632059552.db2.gz VLIHAXDDKHOPMN-ONGXEEELSA-N 1 0 207.277 1.166 10 0 BDAERO CC[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)C(C)C ZINC000308894878 632103766 /nfs/dbraw/zinc/10/37/66/632103766.db2.gz ZBNQTTGBCPAZGZ-QWRGUYRKSA-N 1 0 212.337 1.665 10 0 BDAERO CC[C@@H]([NH2+]CCS(=O)(=O)CC)C(C)(C)C ZINC000309064985 632632341 /nfs/dbraw/zinc/63/23/41/632632341.db2.gz YUEFDGIPEIFXDT-SNVBAGLBSA-N 1 0 235.393 1.835 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2CCCOC2)no1 ZINC000235272039 632599914 /nfs/dbraw/zinc/59/99/14/632599914.db2.gz QAXQNGRJSPHFRB-KXUCPTDWSA-N 1 0 237.303 1.287 10 0 BDAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)CC ZINC000310021615 632694660 /nfs/dbraw/zinc/69/46/60/632694660.db2.gz NPBRDNNBXDIXJI-RYUDHWBXSA-N 1 0 247.404 1.980 10 0 BDAERO Cc1cccc([C@H](O)CN2CC[C@@H]([NH+](C)C)C2)c1 ZINC000310430448 632739857 /nfs/dbraw/zinc/73/98/57/632739857.db2.gz YWFKCDZVCXKXER-HUUCEWRRSA-N 1 0 248.370 1.664 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)F ZINC000309252653 632844180 /nfs/dbraw/zinc/84/41/80/632844180.db2.gz BQWJNDXWPUZNSO-VHSXEESVSA-N 1 0 228.311 1.430 10 0 BDAERO COCc1nc(C[NH2+][C@H](C)C[C@H](C)O)cs1 ZINC000309835405 632854941 /nfs/dbraw/zinc/85/49/41/632854941.db2.gz AUMCQPIKFGGZPD-BDAKNGLRSA-N 1 0 244.360 1.539 10 0 BDAERO C[C@](O)(C[NH2+]CCc1ccccc1)C1CC1 ZINC000309298576 632907637 /nfs/dbraw/zinc/90/76/37/632907637.db2.gz SIRAZUSLIJTKGP-AWEZNQCLSA-N 1 0 219.328 1.980 10 0 BDAERO Clc1cncc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000309300275 632910079 /nfs/dbraw/zinc/91/00/79/632910079.db2.gz SYUNIJGABWXVBF-RKDXNWHRSA-N 1 0 238.722 1.318 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000309402668 633018729 /nfs/dbraw/zinc/01/87/29/633018729.db2.gz JHBQYCSCXGZYJV-JHJVBQTASA-N 1 0 226.364 1.221 10 0 BDAERO CCC/C(C)=C\C(=O)N1CCC[C@H]1C[NH3+] ZINC000309415232 633035225 /nfs/dbraw/zinc/03/52/25/633035225.db2.gz JDAXPRQTNPBFCN-IEHMKBBKSA-N 1 0 210.321 1.683 10 0 BDAERO CO[C@H](C)c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000163917967 633066611 /nfs/dbraw/zinc/06/66/11/633066611.db2.gz CJIYZZZAMFNIFM-BDAKNGLRSA-N 1 0 225.292 1.319 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)c(F)c1 ZINC000166514268 633115037 /nfs/dbraw/zinc/11/50/37/633115037.db2.gz QNGUVFGFBGGTJN-GHMZBOCLSA-N 1 0 237.274 1.610 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)c(F)c1 ZINC000166514084 633115758 /nfs/dbraw/zinc/11/57/58/633115758.db2.gz QNGUVFGFBGGTJN-MNOVXSKESA-N 1 0 237.274 1.610 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@]12CCc1ccccc12 ZINC000166586160 633116847 /nfs/dbraw/zinc/11/68/47/633116847.db2.gz YPDVGCMYZTUYEG-UKRRQHHQSA-N 1 0 245.322 1.653 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ccc(OC(F)F)cn1 ZINC000328052775 633227311 /nfs/dbraw/zinc/22/73/11/633227311.db2.gz PFOWOMOQHQUAHN-SSDOTTSWSA-N 1 0 231.246 1.466 10 0 BDAERO CC[C@@H](C[NH3+])[C@H](O)c1ncc(C)s1 ZINC000394931698 633794186 /nfs/dbraw/zinc/79/41/86/633794186.db2.gz FGXIFZIOOUVUJJ-YUMQZZPRSA-N 1 0 200.307 1.470 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2C[C@H]2CO)cnc1Cl ZINC000309178227 633853791 /nfs/dbraw/zinc/85/37/91/633853791.db2.gz NHOVDGUVPCQMTC-VHSXEESVSA-N 1 0 226.707 1.514 10 0 BDAERO C[C@H]1CC[C@H](C(=O)NNc2cc[nH+]cc2)O1 ZINC000180511964 633894035 /nfs/dbraw/zinc/89/40/35/633894035.db2.gz WJWVQAPDMLKQIF-WCBMZHEXSA-N 1 0 221.260 1.092 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000309951502 633971242 /nfs/dbraw/zinc/97/12/42/633971242.db2.gz GHEZWPLDUKUGOU-BQBZGAKWSA-N 1 0 233.262 1.217 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1nccc(C(C)(C)C)n1 ZINC000309613008 633974187 /nfs/dbraw/zinc/97/41/87/633974187.db2.gz DBXHTAUOUPAWQQ-SECBINFHSA-N 1 0 222.336 1.558 10 0 BDAERO C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)[C@H](C)O ZINC000309973456 634005701 /nfs/dbraw/zinc/00/57/01/634005701.db2.gz QZTIBDSEQMHLGN-RQJHMYQMSA-N 1 0 233.233 1.963 10 0 BDAERO COC[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000178364595 634020800 /nfs/dbraw/zinc/02/08/00/634020800.db2.gz OXHNOHLOKOZMDA-XDTLVQLUSA-N 1 0 221.300 1.269 10 0 BDAERO CCc1ccc(NC(=O)C2CC([NH3+])C2)cc1 ZINC000258763964 635197549 /nfs/dbraw/zinc/19/75/49/635197549.db2.gz PAJVZLLVVYJLOB-UHFFFAOYSA-N 1 0 218.300 1.925 10 0 BDAERO Cc1cccc(C)c1NC(=O)C1CC([NH3+])C1 ZINC000258819657 635208447 /nfs/dbraw/zinc/20/84/47/635208447.db2.gz UZZQCTLAOWSAMF-UHFFFAOYSA-N 1 0 218.300 1.979 10 0 BDAERO Cc1ccncc1CCC[NH2+][C@@H](C)[C@@H](C)O ZINC000336781715 635282116 /nfs/dbraw/zinc/28/21/16/635282116.db2.gz VJIMQEKLBJFVHC-NWDGAFQWSA-N 1 0 222.332 1.682 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000336770672 635288494 /nfs/dbraw/zinc/28/84/94/635288494.db2.gz VUISXLHNYPUIDM-NKVNRFPTSA-N 1 0 215.337 1.691 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCCCO ZINC000226838783 635442754 /nfs/dbraw/zinc/44/27/54/635442754.db2.gz GXSUYHQUAPVPND-ZIAGYGMSSA-N 1 0 240.391 1.708 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@H]2Cc3ccccc3O2)n1 ZINC000054158625 635775325 /nfs/dbraw/zinc/77/53/25/635775325.db2.gz DMHKZMHCHPCANW-GZMMTYOYSA-N 1 0 245.282 1.808 10 0 BDAERO C[C@@]1(C[NH+]2CCCCC2)NCCc2nc[nH]c21 ZINC000067755745 636785023 /nfs/dbraw/zinc/78/50/23/636785023.db2.gz XMYAYBQTFDETEI-ZDUSSCGKSA-N 1 0 234.347 1.257 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc(Cl)ccc1OC ZINC000095638503 636885138 /nfs/dbraw/zinc/88/51/38/636885138.db2.gz NQZHAORGWNVYRG-VIFPVBQESA-N 1 0 243.690 1.912 10 0 BDAERO C[C@H](C(=O)N[C@@H](C)[C@H](C)O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346518398 637163407 /nfs/dbraw/zinc/16/34/07/637163407.db2.gz RGFKVRGEAZLOKP-MJDLHHQISA-N 1 0 242.363 1.133 10 0 BDAERO NC1=[NH+]CC[C@@H](c2cc(F)ccc2F)N1 ZINC000163573926 639063428 /nfs/dbraw/zinc/06/34/28/639063428.db2.gz VFWDLCBNUNNSEI-VIFPVBQESA-N 1 0 211.215 1.314 10 0 BDAERO Cc1ccc(O)cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000311094722 639448698 /nfs/dbraw/zinc/44/86/98/639448698.db2.gz IWOSGZFNEQFOHR-NSHDSACASA-N 1 0 248.326 1.477 10 0 BDAERO CCCCCCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000163598285 639478915 /nfs/dbraw/zinc/47/89/15/639478915.db2.gz RONZKZIKIBOXRD-LLVKDONJSA-N 1 0 212.337 1.683 10 0 BDAERO C[C@H](NC(=O)CCCCCC[NH3+])[C@H]1CCCO1 ZINC000035734926 639888346 /nfs/dbraw/zinc/88/83/46/639888346.db2.gz CTIRFPVFWBMMBY-NWDGAFQWSA-N 1 0 242.363 1.579 10 0 BDAERO CCCc1nc(C2([NH3+])CCCCC2)n(C)n1 ZINC000054697273 640306988 /nfs/dbraw/zinc/30/69/88/640306988.db2.gz DOXSMSQVYNTSPQ-UHFFFAOYSA-N 1 0 222.336 1.886 10 0 BDAERO CC(C)Cc1nc(C2([NH3+])CCCC2)n(C)n1 ZINC000054698894 640318992 /nfs/dbraw/zinc/31/89/92/640318992.db2.gz VJRJEXKVEVVIMB-UHFFFAOYSA-N 1 0 222.336 1.742 10 0 BDAERO CC[NH+]1CCC(CNC(=O)n2ccnc2)CC1 ZINC000044526585 640402672 /nfs/dbraw/zinc/40/26/72/640402672.db2.gz NXGOXONHJVZDEE-UHFFFAOYSA-N 1 0 236.319 1.173 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc[nH]1 ZINC000164261058 640460606 /nfs/dbraw/zinc/46/06/06/640460606.db2.gz HWBWFNRGHOIVPQ-KOLCDFICSA-N 1 0 209.293 1.050 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ccncn2)no1 ZINC000156671333 640478277 /nfs/dbraw/zinc/47/82/77/640478277.db2.gz SMZXKDLIGBQTEH-MRVPVSSYSA-N 1 0 233.275 1.052 10 0 BDAERO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)[C@H](C)O ZINC000349291844 640499346 /nfs/dbraw/zinc/49/93/46/640499346.db2.gz CAXUPYLDKYQILD-MNOVXSKESA-N 1 0 245.326 1.936 10 0 BDAERO Cn1nc(C(C)(C)C)nc1C1([NH3+])CCCC1 ZINC000054698525 640711411 /nfs/dbraw/zinc/71/14/11/640711411.db2.gz XPIFTKVNQMVJDT-UHFFFAOYSA-N 1 0 222.336 1.841 10 0 BDAERO CC(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226109516 640733077 /nfs/dbraw/zinc/73/30/77/640733077.db2.gz DTTVQECKRCDBJH-QJPTWQEYSA-N 1 0 215.337 1.287 10 0 BDAERO OCCCCCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000226839145 640802152 /nfs/dbraw/zinc/80/21/52/640802152.db2.gz HHOVKMDLOLJPRE-LBPRGKRZSA-N 1 0 215.337 1.243 10 0 BDAERO CC(C)(C)Cc1noc(C2(C[NH3+])CC2)n1 ZINC000168630417 640817729 /nfs/dbraw/zinc/81/77/29/640817729.db2.gz JYGRJAOZCAGACG-UHFFFAOYSA-N 1 0 209.293 1.649 10 0 BDAERO C[N@@H+]1CCC[C@H]2CN(C(=O)n3ccnc3)CC[C@H]21 ZINC000227191721 640818320 /nfs/dbraw/zinc/81/83/20/640818320.db2.gz LLTQYHWIXTYCKA-NWDGAFQWSA-N 1 0 248.330 1.267 10 0 BDAERO CO[C@H](c1noc(CC[NH2+]C2CC2)n1)C1CC1 ZINC000227332215 640827627 /nfs/dbraw/zinc/82/76/27/640827627.db2.gz PZDSXHQFJMGYAO-NSHDSACASA-N 1 0 237.303 1.462 10 0 BDAERO COC[C@@H](C)[NH2+]CCSc1ccncc1 ZINC000087110767 640845922 /nfs/dbraw/zinc/84/59/22/640845922.db2.gz KEMKINPTWFFJLC-SNVBAGLBSA-N 1 0 226.345 1.798 10 0 BDAERO CSCC[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000228946030 640906674 /nfs/dbraw/zinc/90/66/74/640906674.db2.gz MELNIROLNCDERW-NXEZZACHSA-N 1 0 232.393 1.618 10 0 BDAERO CCCc1noc(C[C@H]([NH3+])CC(C)C)n1 ZINC000087526997 640909390 /nfs/dbraw/zinc/90/93/90/640909390.db2.gz JVIRWOKXQZHUPI-SECBINFHSA-N 1 0 211.309 1.938 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(C2(C)CC2)no1 ZINC000087554235 640925539 /nfs/dbraw/zinc/92/55/39/640925539.db2.gz VTEOEVLLSIKJDY-MRVPVSSYSA-N 1 0 209.293 1.647 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)o1 ZINC000229220206 640934482 /nfs/dbraw/zinc/93/44/82/640934482.db2.gz TZHORAWWQZBRAF-UWVGGRQHSA-N 1 0 223.272 1.454 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2cscn2)no1 ZINC000087588716 640934532 /nfs/dbraw/zinc/93/45/32/640934532.db2.gz AKFCFFSXUFOMMH-RNFRBKRXSA-N 1 0 236.300 1.516 10 0 BDAERO CCn1ncnc1[C@@H](C[NH3+])c1ccccc1 ZINC000061609628 640977207 /nfs/dbraw/zinc/97/72/07/640977207.db2.gz XVEUGUAYAQXXOC-NSHDSACASA-N 1 0 216.288 1.389 10 0 BDAERO COC1CC(NC(=[NH2+])Nc2ccccc2)C1 ZINC000230579574 641069476 /nfs/dbraw/zinc/06/94/76/641069476.db2.gz FRLUVQDIGBJHIU-UHFFFAOYSA-N 1 0 219.288 1.800 10 0 BDAERO C[NH+](C)[C@@H]1CCN(CC[C@H](O)c2ccccc2)C1 ZINC000062970899 641110722 /nfs/dbraw/zinc/11/07/22/641110722.db2.gz HFAFTKBEVDTUDE-CABCVRRESA-N 1 0 248.370 1.746 10 0 BDAERO Cn1nccc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084456 641126868 /nfs/dbraw/zinc/12/68/68/641126868.db2.gz IKSISRMUSYKRJE-VIFPVBQESA-N 1 0 247.302 1.012 10 0 BDAERO c1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)n[nH]1 ZINC000063084778 641127829 /nfs/dbraw/zinc/12/78/29/641127829.db2.gz NOVSXZCOBVXFFO-QMMMGPOBSA-N 1 0 233.275 1.002 10 0 BDAERO CC[NH2+]Cc1nc(C2CCCCC2)nn1C ZINC000054699475 641154610 /nfs/dbraw/zinc/15/46/10/641154610.db2.gz KUAJINNATORKDI-UHFFFAOYSA-N 1 0 222.336 1.972 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)C[C@H]([NH3+])C2CC2)o1 ZINC000231744616 641199837 /nfs/dbraw/zinc/19/98/37/641199837.db2.gz BNXGQIYFQWGAQG-WPRPVWTQSA-N 1 0 237.303 1.288 10 0 BDAERO COC1CC([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000307954236 641206067 /nfs/dbraw/zinc/20/60/67/641206067.db2.gz ZHGNVJNKABJOOF-ZUEIMRROSA-N 1 0 227.226 1.067 10 0 BDAERO CS[C@H](CO)[C@H](C)[NH2+]CCc1ccccc1 ZINC000232010751 641228372 /nfs/dbraw/zinc/22/83/72/641228372.db2.gz FMIKEWPJVLJBDA-WCQYABFASA-N 1 0 239.384 1.931 10 0 BDAERO CCOC(C[NH2+][C@H](C)[C@@H]1CCCO1)OCC ZINC000088008322 641230471 /nfs/dbraw/zinc/23/04/71/641230471.db2.gz JRUUDEURPSNERL-MNOVXSKESA-N 1 0 231.336 1.543 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)CCCCC[NH3+] ZINC000155363695 641566247 /nfs/dbraw/zinc/56/62/47/641566247.db2.gz REISPHVVJFSGGY-WDEREUQCSA-N 1 0 212.337 1.810 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)CCSC ZINC000157692779 641622711 /nfs/dbraw/zinc/62/27/11/641622711.db2.gz SSIKESKLGYLKOY-BDAKNGLRSA-N 1 0 218.366 1.372 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C=C2CCC2)C1 ZINC000158969502 641659785 /nfs/dbraw/zinc/65/97/85/641659785.db2.gz FDQJAVOADMKLKK-YPMHNXCESA-N 1 0 236.359 1.942 10 0 BDAERO COCCCCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089397121 641687333 /nfs/dbraw/zinc/68/73/33/641687333.db2.gz LDMLAZHXVLMKLL-RYUDHWBXSA-N 1 0 242.363 1.294 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCc1cccnc1 ZINC000089454424 641765606 /nfs/dbraw/zinc/76/56/06/641765606.db2.gz IDPBNZNTHSRKGQ-QWHCGFSZSA-N 1 0 247.342 1.115 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000189122626 641788368 /nfs/dbraw/zinc/78/83/68/641788368.db2.gz SAWDYQITYKIKPM-NEPJUHHUSA-N 1 0 238.306 1.861 10 0 BDAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000189562616 641810381 /nfs/dbraw/zinc/81/03/81/641810381.db2.gz ARNSEEIUQXMHOI-RDBSUJKOSA-N 1 0 238.375 1.997 10 0 BDAERO C[C@@H]1C[N@H+](CCCCCCCO)C[C@H]1CO ZINC000190906821 641894663 /nfs/dbraw/zinc/89/46/63/641894663.db2.gz HGMROPUDFSNJNH-OLZOCXBDSA-N 1 0 229.364 1.489 10 0 BDAERO CCCCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190906593 641895162 /nfs/dbraw/zinc/89/51/62/641895162.db2.gz KGHWRFFQKAZKFG-UTUOFQBUSA-N 1 0 243.347 1.278 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237548475 642714410 /nfs/dbraw/zinc/71/44/10/642714410.db2.gz OQXTXNPWBSBIGQ-TZMCWYRMSA-N 1 0 246.354 1.733 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1ccsc1Cl ZINC000238335290 642803948 /nfs/dbraw/zinc/80/39/48/642803948.db2.gz DIZSILSTDBKGCJ-ZCFIWIBFSA-N 1 0 219.693 1.964 10 0 BDAERO CC(C)[NH2+]CC(=O)N[C@H]1COc2ccccc21 ZINC000070530576 643034403 /nfs/dbraw/zinc/03/44/03/643034403.db2.gz GNVBIXHUQXWNDP-NSHDSACASA-N 1 0 234.299 1.234 10 0 BDAERO CCOC(=O)[C@@H]([NH3+])CCn1ncc(Cl)c1C ZINC000070704495 643062314 /nfs/dbraw/zinc/06/23/14/643062314.db2.gz AUWVOAPZSLKPMG-VIFPVBQESA-N 1 0 245.710 1.125 10 0 BDAERO COC(=O)[C@@](C)([NH3+])CCn1cc(Cl)c(C)n1 ZINC000070704266 643062580 /nfs/dbraw/zinc/06/25/80/643062580.db2.gz YRDJIAMUQYWLNL-JTQLQIEISA-N 1 0 245.710 1.125 10 0 BDAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)n1ccnc1 ZINC000049502396 643077370 /nfs/dbraw/zinc/07/73/70/643077370.db2.gz ZMAASPLTVMVEKO-NSHDSACASA-N 1 0 236.319 1.315 10 0 BDAERO Cc1ccc([C@H](O)C[NH2+]C(C)(C)CO)cc1 ZINC000071687468 643168254 /nfs/dbraw/zinc/16/82/54/643168254.db2.gz MJTOIDONVSWDJH-GFCCVEGCSA-N 1 0 223.316 1.389 10 0 BDAERO CCOC(=O)/C=C/C[N@@H+]1CCC[C@@H]1CCCO ZINC000131129887 643268157 /nfs/dbraw/zinc/26/81/57/643268157.db2.gz POWXKBUQPKIKBM-WNPFHQFXSA-N 1 0 241.331 1.343 10 0 BDAERO CC1(C)C[C@@]2(CO1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757141922 643303368 /nfs/dbraw/zinc/30/33/68/643303368.db2.gz ASBYEVPLVMPTNN-CMPLNLGQSA-N 1 0 211.305 1.528 10 0 BDAERO CC(C)[C@@H]1O[C@]2(CCCOC2)[NH2+]CC12CC2 ZINC000757142206 643304113 /nfs/dbraw/zinc/30/41/13/643304113.db2.gz KQMIPUDWJSYMOT-AAEUAGOBSA-N 1 0 225.332 1.918 10 0 BDAERO [NH3+]CC[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000082372543 643305765 /nfs/dbraw/zinc/30/57/65/643305765.db2.gz SZPADKLVHLJJHX-SNVBAGLBSA-N 1 0 212.293 1.489 10 0 BDAERO C[C@H]([NH3+])Cc1ncc(Br)cn1 ZINC000082425471 643313421 /nfs/dbraw/zinc/31/34/21/643313421.db2.gz MVALVZSTPWJUDY-YFKPBYRVSA-N 1 0 216.082 1.129 10 0 BDAERO CCN(CC)S(=O)(=O)C[C@@H]([NH3+])C1CCCC1 ZINC000757151934 643341341 /nfs/dbraw/zinc/34/13/41/643341341.db2.gz PRGVYANEOVCRLM-LLVKDONJSA-N 1 0 248.392 1.176 10 0 BDAERO CCC1(CC)C[NH2+][C@@]2(CCN(C)C2)OC1 ZINC000757151991 643343326 /nfs/dbraw/zinc/34/33/26/643343326.db2.gz UNUFOEYPSMHXLW-LBPRGKRZSA-N 1 0 212.337 1.444 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1nc2ccccc2o1 ZINC000082592484 643351530 /nfs/dbraw/zinc/35/15/30/643351530.db2.gz JBCRZXRQOODNMW-MRVPVSSYSA-N 1 0 205.261 1.611 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@]12CCSC2 ZINC000757183244 643359643 /nfs/dbraw/zinc/35/96/43/643359643.db2.gz ADQNBQLXGZSKAK-BXKDBHETSA-N 1 0 243.372 1.671 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ncc(Br)cn1 ZINC000082663577 643363045 /nfs/dbraw/zinc/36/30/45/643363045.db2.gz FNPLNPJYVKIKGD-ZCFIWIBFSA-N 1 0 245.124 1.023 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc[nH]n1 ZINC000757192358 643364477 /nfs/dbraw/zinc/36/44/77/643364477.db2.gz YVJRHQXUTINMNW-IUCAKERBSA-N 1 0 237.303 1.054 10 0 BDAERO Cc1ccnc(N2CC[NH2+]C[C@H]2C(C)C)n1 ZINC000083350838 643438290 /nfs/dbraw/zinc/43/82/90/643438290.db2.gz HRJLJVRETUSLHF-NSHDSACASA-N 1 0 220.320 1.219 10 0 BDAERO CC(C)([NH3+])c1cn(Cc2ccsc2)nn1 ZINC000069679304 643449625 /nfs/dbraw/zinc/44/96/25/643449625.db2.gz NOWXYGZDWWXQAD-UHFFFAOYSA-N 1 0 222.317 1.582 10 0 BDAERO CO[C@@H]1C[C@@H](C[NH3+])N(Cc2ccccc2)C1 ZINC000307364405 643456511 /nfs/dbraw/zinc/45/65/11/643456511.db2.gz KCFCMCLIRLTYQM-QWHCGFSZSA-N 1 0 220.316 1.235 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000336777672 643461623 /nfs/dbraw/zinc/46/16/23/643461623.db2.gz JCLIEIWVAUNDAI-VHSXEESVSA-N 1 0 225.336 1.497 10 0 BDAERO Cc1cc2c(ncnc2NC[C@H](C)[NH3+])s1 ZINC000082575684 643514985 /nfs/dbraw/zinc/51/49/85/643514985.db2.gz YZXXWLMENMNQKO-LURJTMIESA-N 1 0 222.317 1.759 10 0 BDAERO Cc1cc(N[C@H](C)[C@@H]2CCCO2)nc(N)[nH+]1 ZINC000046015523 643566489 /nfs/dbraw/zinc/56/64/89/643566489.db2.gz OVAHJXWHKCNNEX-BDAKNGLRSA-N 1 0 222.292 1.347 10 0 BDAERO C[C@H](C[NH3+])c1noc(CC[C@@H]2CCCO2)n1 ZINC000083525237 643584759 /nfs/dbraw/zinc/58/47/59/643584759.db2.gz VICWIAOECWVADB-BDAKNGLRSA-N 1 0 225.292 1.243 10 0 BDAERO [NH3+]CCCCCCNC(=O)CC(F)(F)F ZINC000236220843 643621951 /nfs/dbraw/zinc/62/19/51/643621951.db2.gz GJEYKFWETMEFQE-UHFFFAOYSA-N 1 0 226.242 1.574 10 0 BDAERO CC(C)CN(C)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301741 643657609 /nfs/dbraw/zinc/65/76/09/643657609.db2.gz KIXUXFRYSTTYJV-NEPJUHHUSA-N 1 0 226.364 1.866 10 0 BDAERO CCCc1noc([C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084305503 643657700 /nfs/dbraw/zinc/65/77/00/643657700.db2.gz YNEYDTHSGLRHNS-DTWKUNHWSA-N 1 0 209.293 1.865 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)Nc1nncs1 ZINC000084301526 643657784 /nfs/dbraw/zinc/65/77/84/643657784.db2.gz MJEUSUSYRQUNPT-JGVFFNPUSA-N 1 0 240.332 1.242 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)Nc1nccs1 ZINC000084301058 643658544 /nfs/dbraw/zinc/65/85/44/643658544.db2.gz WPZFUASABOPIOE-BDAKNGLRSA-N 1 0 239.344 1.847 10 0 BDAERO CNC(=O)[C@@H](C[NH3+])Cc1cccc2ccccc21 ZINC000050303775 643681809 /nfs/dbraw/zinc/68/18/09/643681809.db2.gz ARBRDBFUJCPROV-CYBMUJFWSA-N 1 0 242.322 1.703 10 0 BDAERO CC[C@@H](C)c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000085617385 643764005 /nfs/dbraw/zinc/76/40/05/643764005.db2.gz RYDXYPQZKOIAJU-BDAKNGLRSA-N 1 0 225.292 1.114 10 0 BDAERO CC[C@H](C)c1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000085610432 643764305 /nfs/dbraw/zinc/76/43/05/643764305.db2.gz JKFXAQXJMFCHGJ-IUCAKERBSA-N 1 0 241.360 1.831 10 0 BDAERO C[NH2+]CCc1noc(C2C(C)(C)C2(C)C)n1 ZINC000085710756 643790421 /nfs/dbraw/zinc/79/04/21/643790421.db2.gz YMEYWGMSOAZVLT-UHFFFAOYSA-N 1 0 223.320 1.981 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCC(C)(C)O)C1 ZINC000086236474 643963431 /nfs/dbraw/zinc/96/34/31/643963431.db2.gz AQASJMHGAUXDDO-LLVKDONJSA-N 1 0 213.321 1.448 10 0 BDAERO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]2C)CC1 ZINC000174559857 644257592 /nfs/dbraw/zinc/25/75/92/644257592.db2.gz YLPDXRZSEXUNEC-PWSUYJOCSA-N 1 0 224.348 1.631 10 0 BDAERO CCc1nsc(N2CCCC[C@@H]2C[NH2+]C)n1 ZINC000083670491 644405840 /nfs/dbraw/zinc/40/58/40/644405840.db2.gz AUSCGMQRQXZFNX-SECBINFHSA-N 1 0 240.376 1.679 10 0 BDAERO CCOc1ccc2c(c1)[C@@H](C[NH3+])CC(=O)N2 ZINC000084012470 644414961 /nfs/dbraw/zinc/41/49/61/644414961.db2.gz LYVJXKGJULDHOJ-MRVPVSSYSA-N 1 0 220.272 1.470 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000087127772 644478276 /nfs/dbraw/zinc/47/82/76/644478276.db2.gz GKLGWKBSRMINDY-NHCYSSNCSA-N 1 0 209.289 1.079 10 0 BDAERO CC[C@H](C)c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000087506955 644497021 /nfs/dbraw/zinc/49/70/21/644497021.db2.gz JFQYILKOURKRPB-DTWKUNHWSA-N 1 0 225.292 1.114 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000089430650 644549903 /nfs/dbraw/zinc/54/99/03/644549903.db2.gz VVYGCCHAUQWKJH-UWVGGRQHSA-N 1 0 244.298 1.974 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccc(F)cc2F)C1 ZINC000091525898 644629388 /nfs/dbraw/zinc/62/93/88/644629388.db2.gz HVSJSDJTSGJBQV-UHFFFAOYSA-N 1 0 240.253 1.432 10 0 BDAERO Cc1cccc(CCC(=O)NCC2CC([NH3+])C2)c1 ZINC000091525575 644629862 /nfs/dbraw/zinc/62/98/62/644629862.db2.gz VNTSRCUBSOSJQI-UHFFFAOYSA-N 1 0 246.354 1.781 10 0 BDAERO CC1(C)C(NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000092818206 644669161 /nfs/dbraw/zinc/66/91/61/644669161.db2.gz GOMVTWBIYRBOPA-UWVGGRQHSA-N 1 0 238.375 1.912 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCc2cccnc2)C[C@@H]1C ZINC000094996755 644737256 /nfs/dbraw/zinc/73/72/56/644737256.db2.gz JYYNOMWRMABHBC-AAEUAGOBSA-N 1 0 248.326 1.365 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCc2cccnc2)C[C@H]1C ZINC000094996754 644738134 /nfs/dbraw/zinc/73/81/34/644738134.db2.gz JYYNOMWRMABHBC-YPMHNXCESA-N 1 0 248.326 1.365 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000249848442 644741956 /nfs/dbraw/zinc/74/19/56/644741956.db2.gz HKTHEQJEZNPHQS-AYMMMOKOSA-N 1 0 207.277 1.345 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1cccnc1Cl ZINC000095638080 644761875 /nfs/dbraw/zinc/76/18/75/644761875.db2.gz LDBYJPXNSIBVCB-SSDOTTSWSA-N 1 0 214.652 1.298 10 0 BDAERO C([C@@H]1CCCO1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250850966 644783886 /nfs/dbraw/zinc/78/38/86/644783886.db2.gz OERPJYRKGYWBIQ-MJBXVCDLSA-N 1 0 238.375 1.772 10 0 BDAERO C[C@@H]1CC[C@H](c2nc([C@H]3CCC[NH2+]C3)no2)O1 ZINC000251871981 644828671 /nfs/dbraw/zinc/82/86/71/644828671.db2.gz QPNVLCKCBNJPDC-KXUCPTDWSA-N 1 0 237.303 1.777 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2nc(Cc3ccncc3)no2)C1 ZINC000097068181 644868251 /nfs/dbraw/zinc/86/82/51/644868251.db2.gz OTJJGWQTLSZWJO-GHMZBOCLSA-N 1 0 244.298 1.650 10 0 BDAERO [NH3+][C@H]1CC[C@H](c2nc(Cc3ccncc3)no2)C1 ZINC000097068179 644868603 /nfs/dbraw/zinc/86/86/03/644868603.db2.gz OTJJGWQTLSZWJO-QWRGUYRKSA-N 1 0 244.298 1.650 10 0 BDAERO C[C@@H]1CN(c2cc(F)ncn2)C[C@H]1[NH+](C)C ZINC000252722667 644891429 /nfs/dbraw/zinc/89/14/29/644891429.db2.gz RGXHIVGOMGTXSW-RKDXNWHRSA-N 1 0 224.283 1.002 10 0 BDAERO CCCC[NH2+][C@@H]1C[C@H](OCC)[C@H]1OC ZINC000252751727 644899058 /nfs/dbraw/zinc/89/90/58/644899058.db2.gz AFPDWPNTBDJOEO-VWYCJHECSA-N 1 0 201.310 1.569 10 0 BDAERO C[C@H]1C[NH+]=C(N[C@H]2COc3ccccc32)N1 ZINC000304511620 644911323 /nfs/dbraw/zinc/91/13/23/644911323.db2.gz GBDIFZQCPAXCLZ-WPRPVWTQSA-N 1 0 217.272 1.057 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(CC2CCC2)no1 ZINC000304566526 644917541 /nfs/dbraw/zinc/91/75/41/644917541.db2.gz HJRNOFNOLNNJLV-SNVBAGLBSA-N 1 0 223.320 1.938 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(Cl)nc1 ZINC000034503688 645457646 /nfs/dbraw/zinc/45/76/46/645457646.db2.gz JRNCQEODCMTMFF-ZETCQYMHSA-N 1 0 214.652 1.298 10 0 BDAERO C[C@@H](C[NH3+])Nc1nc2cccc(F)c2o1 ZINC000107207829 645911703 /nfs/dbraw/zinc/91/17/03/645911703.db2.gz MEHUXYAMCROQRS-LURJTMIESA-N 1 0 209.224 1.726 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000724188353 711567940 /nfs/dbraw/zinc/56/79/40/711567940.db2.gz MAGMKCAVGREESJ-FRRDWIJNSA-N 1 0 245.363 1.273 10 0 BDAERO OC1CC2(C[C@@H]2[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000724960847 711637603 /nfs/dbraw/zinc/63/76/03/711637603.db2.gz RRAVCSZKAXBXOX-SZMZNBQVSA-N 1 0 223.316 1.057 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)CCS1 ZINC000725619832 711667010 /nfs/dbraw/zinc/66/70/10/711667010.db2.gz QMBNMRABJUPEQW-RKDXNWHRSA-N 1 0 203.351 1.631 10 0 BDAERO [NH3+]C[C@H]1C[C@H](Nc2ccc(Cl)cn2)C1 ZINC000725646876 711668568 /nfs/dbraw/zinc/66/85/68/711668568.db2.gz YOMLYNRNNSKCAO-XWEPSHTISA-N 1 0 211.696 1.884 10 0 BDAERO CC(C)(O)[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000721829962 711777952 /nfs/dbraw/zinc/77/79/52/711777952.db2.gz BGAOHQZMQLUTLJ-XQQFMLRXSA-N 1 0 241.375 1.630 10 0 BDAERO Cc1cnc(N[C@H]2C[NH2+]CC2(C)C)nc1C ZINC000721975511 711856063 /nfs/dbraw/zinc/85/60/63/711856063.db2.gz PDULRLYCTDQQBG-JTQLQIEISA-N 1 0 220.320 1.503 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000702263920 712042480 /nfs/dbraw/zinc/04/24/80/712042480.db2.gz NKVFQTDAKBCQGJ-MNOVXSKESA-N 1 0 246.782 1.457 10 0 BDAERO CCCc1noc([C@]2(C)C[C@H](OC)C[NH2+]2)n1 ZINC000702730457 712060364 /nfs/dbraw/zinc/06/03/64/712060364.db2.gz DCEXUFRKXIFFOI-KWQFWETISA-N 1 0 225.292 1.246 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1cncc(Cl)n1 ZINC000702676271 712059493 /nfs/dbraw/zinc/05/94/93/712059493.db2.gz PFPNHRALEACXFI-RNFRBKRXSA-N 1 0 212.684 1.056 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@@H]1CCSC1 ZINC000704891871 712120969 /nfs/dbraw/zinc/12/09/69/712120969.db2.gz SSOCDYZMKUUHDG-GHMZBOCLSA-N 1 0 244.404 1.619 10 0 BDAERO CCCCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000706758079 712153738 /nfs/dbraw/zinc/15/37/38/712153738.db2.gz UZGIZEBRFQTEFM-SDDRHHMPSA-N 1 0 215.337 1.695 10 0 BDAERO Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cn1 ZINC000706829175 712156717 /nfs/dbraw/zinc/15/67/17/712156717.db2.gz SDCMZLVBPXONOR-WDEREUQCSA-N 1 0 203.289 1.648 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000707738414 712177207 /nfs/dbraw/zinc/17/72/07/712177207.db2.gz OEKPSWOCHVNGRY-NSHDSACASA-N 1 0 227.304 1.050 10 0 BDAERO c1cc(CCN2CC[N@@H+]3CCC[C@H]3C2)sn1 ZINC000709965504 712235434 /nfs/dbraw/zinc/23/54/34/712235434.db2.gz CEFUXSCFEVCGHA-NSHDSACASA-N 1 0 237.372 1.466 10 0 BDAERO c1ncn(CC[NH2+][C@H]2CCCC3(CC3)C2)n1 ZINC000709979660 712236425 /nfs/dbraw/zinc/23/64/25/712236425.db2.gz RKDBCINHYWIMMY-NSHDSACASA-N 1 0 220.320 1.591 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711555725 712308817 /nfs/dbraw/zinc/30/88/17/712308817.db2.gz FDIUANNXLVBMAO-OUAUKWLOSA-N 1 0 215.362 1.442 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711558616 712309014 /nfs/dbraw/zinc/30/90/14/712309014.db2.gz VQGIAWDMSKQWGY-LMLFDSFASA-N 1 0 213.346 1.195 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2C=CCC2)cnn1C ZINC000711661495 712314773 /nfs/dbraw/zinc/31/47/73/712314773.db2.gz KLXHRMZXTRTBHA-LLVKDONJSA-N 1 0 205.305 1.784 10 0 BDAERO CC(C)CCCN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378774079 712360361 /nfs/dbraw/zinc/36/03/61/712360361.db2.gz GYUJIVKNSRBOKT-QWRGUYRKSA-N 1 0 202.317 1.794 10 0 BDAERO Cc1ccc(CN2C[C@@H](F)C[C@H]2C[NH3+])s1 ZINC000378756780 712360473 /nfs/dbraw/zinc/36/04/73/712360473.db2.gz YMDBYZQEJXUNJP-UWVGGRQHSA-N 1 0 228.336 1.928 10 0 BDAERO COCC1CC([NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000714010859 712477248 /nfs/dbraw/zinc/47/72/48/712477248.db2.gz YHMZEOSGNRJCFD-ZYGVAYEYSA-N 1 0 213.321 1.569 10 0 BDAERO C[C@H]1CN(CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1[NH3+] ZINC000714905730 712499244 /nfs/dbraw/zinc/49/92/44/712499244.db2.gz DEEHJIBPMHMPLX-RYDUCSDGSA-N 1 0 208.349 1.702 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cccs2)C1 ZINC000715073455 712506041 /nfs/dbraw/zinc/50/60/41/712506041.db2.gz OEGCOAKOTNWXGT-UHFFFAOYSA-N 1 0 210.302 1.215 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@H]1CCCO1 ZINC000715079932 712506416 /nfs/dbraw/zinc/50/64/16/712506416.db2.gz BDYUVAMUSHMMIE-OUAUKWLOSA-N 1 0 229.320 1.295 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@H]1CCCS1 ZINC000715896255 712540807 /nfs/dbraw/zinc/54/08/07/712540807.db2.gz UHOJNJTVVAAMNU-GHMZBOCLSA-N 1 0 244.404 1.762 10 0 BDAERO CO[C@@H](C[NH2+][C@@H](C)c1cn(C)nn1)C1CCC1 ZINC000715946386 712545284 /nfs/dbraw/zinc/54/52/84/712545284.db2.gz SLTMYQFYTDNIDA-CABZTGNLSA-N 1 0 238.335 1.281 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716035355 712547600 /nfs/dbraw/zinc/54/76/00/712547600.db2.gz AAPWXUYRHYQRMN-UBJLHIIHSA-N 1 0 242.388 1.385 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccns2)C1 ZINC000715993341 712551337 /nfs/dbraw/zinc/55/13/37/712551337.db2.gz JVQKCOMVYQIYAH-NXEZZACHSA-N 1 0 225.361 1.888 10 0 BDAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1C[C@H]1C ZINC000716707376 712570441 /nfs/dbraw/zinc/57/04/41/712570441.db2.gz UGZYLKBLZIVATO-NRXRVSCLSA-N 1 0 210.321 1.275 10 0 BDAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)C1CCCC1 ZINC000716687647 712570444 /nfs/dbraw/zinc/57/04/44/712570444.db2.gz QRHGNVDXFKVKQO-HTAVTVPLSA-N 1 0 224.348 1.809 10 0 BDAERO CC(C)C[C@@H](C)C[NH2+]C1CC(C(N)=O)C1 ZINC000716746833 712571895 /nfs/dbraw/zinc/57/18/95/712571895.db2.gz VJMDNTHLUGEZSQ-KPPDAEKUSA-N 1 0 212.337 1.522 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cscn1 ZINC000716745239 712571896 /nfs/dbraw/zinc/57/18/96/712571896.db2.gz KVNYRIYHZZOJTD-KKMMWDRVSA-N 1 0 225.317 1.058 10 0 BDAERO CCCC[C@H](CC)[NH2+]C1CC(C(N)=O)C1 ZINC000716741576 712571920 /nfs/dbraw/zinc/57/19/20/712571920.db2.gz SHBFDRQDGPPKQP-YVNMAJEFSA-N 1 0 212.337 1.809 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)CCCF ZINC000716748598 712571936 /nfs/dbraw/zinc/57/19/36/712571936.db2.gz RFPFQUOBBFFUCD-NSHDSACASA-N 1 0 221.316 1.455 10 0 BDAERO C[N@H+](CCCF)C[C@@H]1CCC[C@H](O)C1 ZINC000716747331 712572050 /nfs/dbraw/zinc/57/20/50/712572050.db2.gz JNRIUJMAURKTGJ-MNOVXSKESA-N 1 0 203.301 1.829 10 0 BDAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000379959512 712636605 /nfs/dbraw/zinc/63/66/05/712636605.db2.gz MJSMHXSMVQHGBR-NNYUYHANSA-N 1 0 213.321 1.711 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H](C)O)cc1F ZINC000717395968 712654105 /nfs/dbraw/zinc/65/41/05/712654105.db2.gz MYCYXXYNSFJSON-KWBADKCTSA-N 1 0 241.306 1.526 10 0 BDAERO Cc1conc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000720363533 712835445 /nfs/dbraw/zinc/83/54/45/712835445.db2.gz NKZUJQNDPJLVMA-LLVKDONJSA-N 1 0 224.304 1.720 10 0 BDAERO Cc1conc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000720363586 712835507 /nfs/dbraw/zinc/83/55/07/712835507.db2.gz WAYKUYAUPYVFHI-NSHDSACASA-N 1 0 221.304 1.263 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000720423491 712841994 /nfs/dbraw/zinc/84/19/94/712841994.db2.gz CFUVKWRTGQVBHM-CHWSQXEVSA-N 1 0 245.363 1.275 10 0 BDAERO COC(=O)/C(C)=C\C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000380646572 712902085 /nfs/dbraw/zinc/90/20/85/712902085.db2.gz VMVVDWWXUUXSGU-GOLMWGNGSA-N 1 0 227.304 1.263 10 0 BDAERO Cc1nc(N(C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000380661443 712902344 /nfs/dbraw/zinc/90/23/44/712902344.db2.gz WLDLXAVEQQUXEP-SSDOTTSWSA-N 1 0 224.264 1.082 10 0 BDAERO COC[C@H](C[N@@H+]1CCC[C@H](O)[C@@H]1C)C(C)C ZINC000721990194 710695632 /nfs/dbraw/zinc/69/56/32/710695632.db2.gz QYPXWOYOQSNZOX-AVGNSLFASA-N 1 0 229.364 1.750 10 0 BDAERO CN1C[C@H](C[NH2+][C@H](C2CC2)C(C)(C)C)CC1=O ZINC000722754273 711469985 /nfs/dbraw/zinc/46/99/85/711469985.db2.gz QXQWFFASJDKYMP-GXFFZTMASA-N 1 0 238.375 1.879 10 0 BDAERO CC(C)CCCC[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000722747535 711470178 /nfs/dbraw/zinc/47/01/78/711470178.db2.gz QOHVOAHAJLNUFN-LBPRGKRZSA-N 1 0 226.364 1.881 10 0 BDAERO CN(C)c1nccc(N2C3CCC2(C[NH3+])CC3)n1 ZINC000722986061 711493541 /nfs/dbraw/zinc/49/35/41/711493541.db2.gz JSLRUAQOOAVQGR-UHFFFAOYSA-N 1 0 247.346 1.003 10 0 BDAERO Cc1cc(C)nc(C[NH2+]C(C)(C)CO)c1 ZINC000723609006 711525418 /nfs/dbraw/zinc/52/54/18/711525418.db2.gz XDDVAIZLDYPRPX-UHFFFAOYSA-N 1 0 208.305 1.559 10 0 BDAERO Cc1cc(C)nc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c1 ZINC000723878038 711542326 /nfs/dbraw/zinc/54/23/26/711542326.db2.gz CHMJVQUTYJWKOC-FZMZJTMJSA-N 1 0 234.343 1.901 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=S)NCC(C)C)C1 ZINC000136152034 711688044 /nfs/dbraw/zinc/68/80/44/711688044.db2.gz ICHYKSUNARDKOC-LLVKDONJSA-N 1 0 243.420 1.591 10 0 BDAERO COC[C@@H](C[NH2+]Cc1cnn(C)c1C)C(C)C ZINC000721881768 711693763 /nfs/dbraw/zinc/69/37/63/711693763.db2.gz MPUJLDIDOCNLGJ-CYBMUJFWSA-N 1 0 239.363 1.737 10 0 BDAERO CN(CC1CCCCC1)C(=O)C1CC([NH3+])C1 ZINC000258732567 711741245 /nfs/dbraw/zinc/74/12/45/711741245.db2.gz OGIHRBKZTNYXKL-UHFFFAOYSA-N 1 0 224.348 1.762 10 0 BDAERO CN(C)Cc1csc(C[NH2+]CC(C)(C)O)n1 ZINC000722394677 711753478 /nfs/dbraw/zinc/75/34/78/711753478.db2.gz RGIUYTFUWWRQOL-UHFFFAOYSA-N 1 0 243.376 1.065 10 0 BDAERO COC[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C(C)C ZINC000721877919 711794780 /nfs/dbraw/zinc/79/47/80/711794780.db2.gz IORXCMFWHNUQSQ-NEPJUHHUSA-N 1 0 231.380 1.902 10 0 BDAERO Cc1cnc(N[C@@H]2C[NH2+]CC2(C)C)nc1 ZINC000721896767 711812382 /nfs/dbraw/zinc/81/23/82/711812382.db2.gz JECJMDIKXJZWGM-SECBINFHSA-N 1 0 206.293 1.195 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncnc2c1CCC2 ZINC000229596800 711838426 /nfs/dbraw/zinc/83/84/26/711838426.db2.gz PHLYANGDUVJZSV-MWLCHTKSSA-N 1 0 232.331 1.518 10 0 BDAERO CCCCSCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708843276 711973736 /nfs/dbraw/zinc/97/37/36/711973736.db2.gz NPXONFOIIFLAGL-MNOVXSKESA-N 1 0 244.404 1.573 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@H](C)[C@H]2CCCO2)n1 ZINC000700459409 711995773 /nfs/dbraw/zinc/99/57/73/711995773.db2.gz PCQZVWRAPNRAKM-NXEZZACHSA-N 1 0 237.303 1.148 10 0 BDAERO O=C(/C=C\c1cccc(F)c1)NC[C@H]1CC[NH2+]C1 ZINC000700534953 711996664 /nfs/dbraw/zinc/99/66/64/711996664.db2.gz CBHJADVXDSPQOM-RXNFCKPNSA-N 1 0 248.301 1.565 10 0 BDAERO O=C(/C=C\c1ccccc1F)NC[C@H]1CC[NH2+]C1 ZINC000700749241 712005115 /nfs/dbraw/zinc/00/51/15/712005115.db2.gz IYUFRMKYCLRCPL-GZTOBOFZSA-N 1 0 248.301 1.565 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccnc(Cl)c1 ZINC000700956294 712010503 /nfs/dbraw/zinc/01/05/03/712010503.db2.gz GBRAGCNPLBVCJL-APPZFPTMSA-N 1 0 239.706 1.297 10 0 BDAERO O=C(Nc1nccs1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000702047147 712037338 /nfs/dbraw/zinc/03/73/38/712037338.db2.gz ATPVAEPWJAJEPN-KWQFWETISA-N 1 0 237.328 1.471 10 0 BDAERO CC1CC(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000702078616 712038087 /nfs/dbraw/zinc/03/80/87/712038087.db2.gz YOPQKOGXZUQUFP-TWHWIZHFSA-N 1 0 222.332 1.100 10 0 BDAERO CO[C@@H]1C[NH2+][C@](C)(c2nc([C@@H]3C[C@@H]3C)no2)C1 ZINC000702715260 712059975 /nfs/dbraw/zinc/05/99/75/712059975.db2.gz BUKAAZIJXJMAJR-UOKLYIGXSA-N 1 0 237.303 1.417 10 0 BDAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(C3(C)CC3)no2)C1 ZINC000702720433 712060386 /nfs/dbraw/zinc/06/03/86/712060386.db2.gz UHRUNCZRVQPERW-PRHODGIISA-N 1 0 237.303 1.345 10 0 BDAERO Nc1cc[nH+]cc1-c1cn2c(n1)CCCC2 ZINC000706150633 712140696 /nfs/dbraw/zinc/14/06/96/712140696.db2.gz GDZNZJOWGYLUEI-UHFFFAOYSA-N 1 0 214.272 1.694 10 0 BDAERO CN1C[C@@]2(C)C[NH+](CC3(O)CCC3)C[C@]2(C)C1 ZINC000706257405 712142580 /nfs/dbraw/zinc/14/25/80/712142580.db2.gz SPKABRCRXUVSJF-STQMWFEESA-N 1 0 238.375 1.175 10 0 BDAERO CSC1CC([NH2+]C[C@H]2CCC[C@H]2O)C1 ZINC000706755481 712154001 /nfs/dbraw/zinc/15/40/01/712154001.db2.gz PZKDUWCZMXONEU-AGVGLQIMSA-N 1 0 215.362 1.631 10 0 BDAERO CSC1CC([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000706878912 712157557 /nfs/dbraw/zinc/15/75/57/712157557.db2.gz VXICUDQFXVKHNL-WOOKNIGNSA-N 1 0 228.361 1.137 10 0 BDAERO OC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000707592477 712175199 /nfs/dbraw/zinc/17/51/99/712175199.db2.gz DUCPKBSOCRDDNT-BETUJISGSA-N 1 0 205.301 1.590 10 0 BDAERO C[C@@H]1CN(c2ccnc3ncccc23)C[C@H]1C[NH3+] ZINC000708111388 712181938 /nfs/dbraw/zinc/18/19/38/712181938.db2.gz JNFCJLALZOAAHM-GHMZBOCLSA-N 1 0 242.326 1.661 10 0 BDAERO CSC1CC([NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)C1 ZINC000708281531 712185340 /nfs/dbraw/zinc/18/53/40/712185340.db2.gz GVNQZMDNDNRXNR-SAAXCQNUSA-N 1 0 242.388 1.527 10 0 BDAERO CSC1CC([NH2+][C@H](C)C[C@H]2CCC(=O)N2)C1 ZINC000708281530 712185705 /nfs/dbraw/zinc/18/57/05/712185705.db2.gz GVNQZMDNDNRXNR-NKVNRFPTSA-N 1 0 242.388 1.527 10 0 BDAERO CSC1CC([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000708306985 712186211 /nfs/dbraw/zinc/18/62/11/712186211.db2.gz PXHMQZQCHLFINV-HSOILSAZSA-N 1 0 233.377 1.256 10 0 BDAERO C[C@H]1CN(C(=O)CSC(C)(C)C)C[C@@H]1C[NH3+] ZINC000708841752 712200714 /nfs/dbraw/zinc/20/07/14/712200714.db2.gz DGMAINVVYONLQL-UWVGGRQHSA-N 1 0 244.404 1.571 10 0 BDAERO C[C@@H]1CN(c2nccc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000708854252 712201409 /nfs/dbraw/zinc/20/14/09/712201409.db2.gz MWHRTRUMYRHIOU-MNOVXSKESA-N 1 0 248.374 1.805 10 0 BDAERO C[C@@H]1CN(Cc2cccc(Cl)n2)C[C@@H]1C[NH3+] ZINC000708892326 712202485 /nfs/dbraw/zinc/20/24/85/712202485.db2.gz ASLGSNFYICNUJZ-ZJUUUORDSA-N 1 0 239.750 1.762 10 0 BDAERO C[C@H]1CN(c2cncc(Cl)n2)C[C@H]1C[NH3+] ZINC000708888320 712202744 /nfs/dbraw/zinc/20/27/44/712202744.db2.gz IIYSJGKOAMFMRC-JGVFFNPUSA-N 1 0 226.711 1.161 10 0 BDAERO CC(=O)c1cccc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000709140363 712210103 /nfs/dbraw/zinc/21/01/03/712210103.db2.gz XBAUHPSUEQGICM-ZWNOBZJWSA-N 1 0 247.342 1.671 10 0 BDAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ncnc3c1CCC3)C2 ZINC000709803043 712227232 /nfs/dbraw/zinc/22/72/32/712227232.db2.gz NLZJATUSAOITMX-AXFHLTTASA-N 1 0 244.342 1.281 10 0 BDAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cn(C)cn1 ZINC000710011219 712240163 /nfs/dbraw/zinc/24/01/63/712240163.db2.gz FBVGHXWFKADEPI-MNOVXSKESA-N 1 0 223.320 1.640 10 0 BDAERO Cc1c(F)ncnc1N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000710163904 712246853 /nfs/dbraw/zinc/24/68/53/712246853.db2.gz DMVGSULAUSFSAO-WCBMZHEXSA-N 1 0 238.310 1.310 10 0 BDAERO O[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)c1ccco1 ZINC000710691665 712254237 /nfs/dbraw/zinc/25/42/37/712254237.db2.gz XNHOPEQSEUWGSS-MXWKQRLJSA-N 1 0 225.288 1.206 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000710868602 712259965 /nfs/dbraw/zinc/25/99/65/712259965.db2.gz CHWPCPGHFOWOSW-DGAVXFQQSA-N 1 0 238.375 1.485 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCO1 ZINC000710897720 712261876 /nfs/dbraw/zinc/26/18/76/712261876.db2.gz SJAQNKYNFHDZOV-FIQHERPVSA-N 1 0 240.347 1.188 10 0 BDAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000710933171 712265960 /nfs/dbraw/zinc/26/59/60/712265960.db2.gz RPVQUFANAQRDMI-VWYCJHECSA-N 1 0 229.320 1.031 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710930456 712265962 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ZINC000711392444 712297216 /nfs/dbraw/zinc/29/72/16/712297216.db2.gz UPZDFLSFCHBCOQ-WPRPVWTQSA-N 1 0 210.321 1.147 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711465862 712302178 /nfs/dbraw/zinc/30/21/78/712302178.db2.gz CDWASRFDVBPPRA-NWDGAFQWSA-N 1 0 233.327 1.455 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H](CF)C1 ZINC000711449030 712302429 /nfs/dbraw/zinc/30/24/29/712302429.db2.gz YVTSKPBLDLQPPF-HBNTYKKESA-N 1 0 201.285 1.581 10 0 BDAERO C[C@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@@H]1C[NH3+] ZINC000712005920 712340008 /nfs/dbraw/zinc/34/00/08/712340008.db2.gz SYJFWHGHPRNPII-BQUFFADESA-N 1 0 236.359 1.476 10 0 BDAERO COCCC[C@H](C)[NH2+]C1CC(OC)C1 ZINC000379583084 712388698 /nfs/dbraw/zinc/38/86/98/712388698.db2.gz MUGODSOPMPAWKU-WHXUTIOJSA-N 1 0 201.310 1.569 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]CCn2cnnn2)cc1F ZINC000712603921 712436831 /nfs/dbraw/zinc/43/68/31/712436831.db2.gz HLAWGEXUCATPPP-JTQLQIEISA-N 1 0 249.293 1.471 10 0 BDAERO C=C/C=C/CC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 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ZINC000713983537 712475947 /nfs/dbraw/zinc/47/59/47/712475947.db2.gz NOZCYOKIBCPCTM-XKGSQUFQSA-N 1 0 242.363 1.147 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]C2CC(COC)C2)CO1 ZINC000713986894 712476607 /nfs/dbraw/zinc/47/66/07/712476607.db2.gz VLXFRMXFANKRIL-MMVSWEMESA-N 1 0 213.321 1.569 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)CO1 ZINC000714060993 712477745 /nfs/dbraw/zinc/47/77/45/712477745.db2.gz ADOWSJCADFKTOH-MNOVXSKESA-N 1 0 245.282 1.568 10 0 BDAERO [NH3+]C[C@H]1C[C@@H](c2nc(-c3ccco3)no2)CO1 ZINC000714055213 712477969 /nfs/dbraw/zinc/47/79/69/712477969.db2.gz DOHQPZJCXAYZGY-HTQZYQBOSA-N 1 0 235.243 1.161 10 0 BDAERO CCC1([NH3+])CCN(c2nnc(C)s2)CC1 ZINC000714751385 712497316 /nfs/dbraw/zinc/49/73/16/712497316.db2.gz AMSIKECYSMGYJX-UHFFFAOYSA-N 1 0 226.349 1.554 10 0 BDAERO CCC1([NH3+])CCN([C@@H](C)c2cnn(C)c2)CC1 ZINC000714757645 712497568 /nfs/dbraw/zinc/49/75/68/712497568.db2.gz JCVZLURSEJNJKD-NSHDSACASA-N 1 0 236.363 1.684 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]1c1nc([C@@H]2CC23CC3)no1 ZINC000714802812 712498357 /nfs/dbraw/zinc/49/83/57/712498357.db2.gz HBIBSNFIZAQXJG-FXQIFTODSA-N 1 0 205.261 1.399 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852533 712503098 /nfs/dbraw/zinc/50/30/98/712503098.db2.gz IAAJPSJKLLNJMF-BXKDBHETSA-N 1 0 221.300 1.740 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000036873052 712506611 /nfs/dbraw/zinc/50/66/11/712506611.db2.gz SUJGNVWFYAVBAR-NSHDSACASA-N 1 0 212.337 1.907 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccc(Cl)s2)C1 ZINC000715080521 712507125 /nfs/dbraw/zinc/50/71/25/712507125.db2.gz FKWXSLJBGHHOCH-UHFFFAOYSA-N 1 0 244.747 1.869 10 0 BDAERO CC(C)Oc1cncc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715080829 712507258 /nfs/dbraw/zinc/50/72/58/712507258.db2.gz FSXCXIDJYHVIJU-AOOOYVTPSA-N 1 0 236.319 1.413 10 0 BDAERO Cc1cnc(C)c(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715113543 712509759 /nfs/dbraw/zinc/50/97/59/712509759.db2.gz ILUNJXVHVYODMC-AOOOYVTPSA-N 1 0 206.293 1.243 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccnc(Cl)c2)C1 ZINC000715113759 712510061 /nfs/dbraw/zinc/51/00/61/712510061.db2.gz LEQQCIKDYOMAMP-UHFFFAOYSA-N 1 0 239.706 1.202 10 0 BDAERO O=C(N[C@@H]1C=CCC1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715396418 712516576 /nfs/dbraw/zinc/51/65/76/712516576.db2.gz CAMYRCLLCOOZCU-YRGRVCCFSA-N 1 0 234.343 1.601 10 0 BDAERO CC[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715469703 712520043 /nfs/dbraw/zinc/52/00/43/712520043.db2.gz VKWKOYAXJMYNOT-DMDPSCGWSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715501557 712523951 /nfs/dbraw/zinc/52/39/51/712523951.db2.gz UTFMPMAAGPBUAB-HRDYMLBCSA-N 1 0 232.274 1.083 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715510028 712524628 /nfs/dbraw/zinc/52/46/28/712524628.db2.gz NMYWWOFXBLTHQV-QWRGUYRKSA-N 1 0 213.321 1.305 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715839219 712535567 /nfs/dbraw/zinc/53/55/67/712535567.db2.gz UDGJNDYNWREWIU-IVZWLZJFSA-N 1 0 208.309 1.654 10 0 BDAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715851842 712536493 /nfs/dbraw/zinc/53/64/93/712536493.db2.gz OQSIRGMOPKJMPA-QXFUBDJGSA-N 1 0 226.349 1.360 10 0 BDAERO CCCn1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)nn1 ZINC000715881250 712539014 /nfs/dbraw/zinc/53/90/14/712539014.db2.gz IYXCSJOMHJPEAK-GUBZILKMSA-N 1 0 226.324 1.108 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)NCC[C@H]1CCCS1 ZINC000715897525 712541365 /nfs/dbraw/zinc/54/13/65/712541365.db2.gz ZCRCPEQYTDPPCR-GHMZBOCLSA-N 1 0 244.404 1.762 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)c2ccns2)C1 ZINC000715993343 712551297 /nfs/dbraw/zinc/55/12/97/712551297.db2.gz JVQKCOMVYQIYAH-UWVGGRQHSA-N 1 0 225.361 1.888 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCCC2CC2)C1 ZINC000716343432 712555264 /nfs/dbraw/zinc/55/52/64/712555264.db2.gz JFIGXTRNDMXGCE-VXGBXAGGSA-N 1 0 224.348 1.810 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000716436923 712560378 /nfs/dbraw/zinc/56/03/78/712560378.db2.gz FWTKDDJLOOKJOX-DGORSVRFSA-N 1 0 222.332 1.228 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n1 ZINC000716449603 712561478 /nfs/dbraw/zinc/56/14/78/712561478.db2.gz KDYSIZAKTMLWEE-HOTMZDKISA-N 1 0 221.304 1.891 10 0 BDAERO O[C@@H](CC[NH2+]CCc1ccccc1)C(F)F ZINC000716675272 712569603 /nfs/dbraw/zinc/56/96/03/712569603.db2.gz JCFVSKUONUBTAP-NSHDSACASA-N 1 0 229.270 1.835 10 0 BDAERO C[C@@H](Cc1ccsc1)[NH2+]C1CC(C(N)=O)C1 ZINC000716705214 712570348 /nfs/dbraw/zinc/57/03/48/712570348.db2.gz IXTXDEGAVOYXCE-PUSIOWJLSA-N 1 0 238.356 1.533 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000716718229 712570822 /nfs/dbraw/zinc/57/08/22/712570822.db2.gz VEADLTHPJLMWPE-UHFFFAOYSA-N 1 0 243.310 1.521 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCCSCC2)C1 ZINC000716721881 712570892 /nfs/dbraw/zinc/57/08/92/712570892.db2.gz FYTDYFSCBNYFPP-HWOCKDDLSA-N 1 0 228.361 1.126 10 0 BDAERO NC(=O)C1CC([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000716729872 712571352 /nfs/dbraw/zinc/57/13/52/712571352.db2.gz CJIXCCPHWIGWPW-KPPDAEKUSA-N 1 0 208.305 1.196 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000716731337 712571540 /nfs/dbraw/zinc/57/15/40/712571540.db2.gz LOSITIULRUVXPM-OCTTZUBCSA-N 1 0 248.301 1.667 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716759008 712572269 /nfs/dbraw/zinc/57/22/69/712572269.db2.gz DHIRSSSISCROGF-AGVGLQIMSA-N 1 0 224.348 1.665 10 0 BDAERO Cc1cccc(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716756243 712572489 /nfs/dbraw/zinc/57/24/89/712572489.db2.gz YIKWQSMOZOVDME-UHFFFAOYSA-N 1 0 218.300 1.349 10 0 BDAERO CC[C@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716758595 712572548 /nfs/dbraw/zinc/57/25/48/712572548.db2.gz AFIHABVDNKUXGJ-VOBJUBJWSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cccc(F)c1 ZINC000716782687 712573387 /nfs/dbraw/zinc/57/33/87/712573387.db2.gz JGOUDVYHFPNEPI-DUACVJHASA-N 1 0 236.290 1.740 10 0 BDAERO Cc1nsc(NC[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000717014673 712604665 /nfs/dbraw/zinc/60/46/65/712604665.db2.gz QTLGXHKOSYRAOW-ZETCQYMHSA-N 1 0 248.302 1.503 10 0 BDAERO CC(C)C1(O)C[NH+](C[C@H](O)C(C)(C)C)C1 ZINC000379901458 712622088 /nfs/dbraw/zinc/62/20/88/712622088.db2.gz IKKWCBWVGFCGGZ-JTQLQIEISA-N 1 0 215.337 1.096 10 0 BDAERO C[C@@H](O)[C@H](O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000717396145 712654120 /nfs/dbraw/zinc/65/41/20/712654120.db2.gz OEPYXQOHTBBGIB-FXOFQERSSA-N 1 0 239.359 1.142 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000380191257 712710356 /nfs/dbraw/zinc/71/03/56/712710356.db2.gz OZIURRMFZAEUDE-GHMZBOCLSA-N 1 0 209.293 1.050 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000380191258 712710365 /nfs/dbraw/zinc/71/03/65/712710365.db2.gz OZIURRMFZAEUDE-MNOVXSKESA-N 1 0 209.293 1.050 10 0 BDAERO Cc1coc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000718142775 712748054 /nfs/dbraw/zinc/74/80/54/712748054.db2.gz DFRJMEUGTYGALG-GHMZBOCLSA-N 1 0 209.289 1.981 10 0 BDAERO O[C@@H](C[NH2+]CCc1ccccc1)COCC1CC1 ZINC000037850033 712775614 /nfs/dbraw/zinc/77/56/14/712775614.db2.gz BKMTWRDFQYJEKF-HNNXBMFYSA-N 1 0 249.354 1.606 10 0 BDAERO [NH3+][C@H](CNc1ccnc2ncccc12)C1CC1 ZINC000718930452 712788275 /nfs/dbraw/zinc/78/82/75/712788275.db2.gz OERBPSDRNCEORR-LLVKDONJSA-N 1 0 228.299 1.779 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1ccnc2ncccc21 ZINC000718930513 712788537 /nfs/dbraw/zinc/78/85/37/712788537.db2.gz OTLNJYHTRHDGMW-BDAKNGLRSA-N 1 0 216.288 1.777 10 0 BDAERO c1cnc2nccc(NC[C@H]3CCC[NH2+]3)c2c1 ZINC000718931238 712788643 /nfs/dbraw/zinc/78/86/43/712788643.db2.gz YAEQWLCKPGIJOD-SNVBAGLBSA-N 1 0 228.299 1.794 10 0 BDAERO CCN(c1ccnc2ncccc12)[C@H]1CC[NH2+]C1 ZINC000718982396 712791814 /nfs/dbraw/zinc/79/18/14/712791814.db2.gz SPCZWSHTDIOGHW-NSHDSACASA-N 1 0 242.326 1.818 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ccnc2ncccc12 ZINC000718990387 712792640 /nfs/dbraw/zinc/79/26/40/712792640.db2.gz TYOUFROLQCYQLB-SECBINFHSA-N 1 0 216.288 1.650 10 0 BDAERO CSCC1CC[NH+](CC(C)(C)O)CC1 ZINC000719315454 712804040 /nfs/dbraw/zinc/80/40/40/712804040.db2.gz IYZKKJWNSAZTOD-UHFFFAOYSA-N 1 0 217.378 1.832 10 0 BDAERO C[NH2+]CCCCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000719716104 712822646 /nfs/dbraw/zinc/82/26/46/712822646.db2.gz WGSZOSYNAFRSMZ-QWRGUYRKSA-N 1 0 228.336 1.012 10 0 BDAERO Cc1conc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000720378505 712837128 /nfs/dbraw/zinc/83/71/28/712837128.db2.gz HPFIWZVBAFZRAK-DCAQKATOSA-N 1 0 221.304 1.152 10 0 BDAERO COCC1CC([NH2+]Cc2cc(C)on2)C1 ZINC000720414872 712840781 /nfs/dbraw/zinc/84/07/81/712840781.db2.gz ZLCKNKXLWWKXNK-UHFFFAOYSA-N 1 0 210.277 1.498 10 0 BDAERO CC1(C(=O)N[C@H](C[NH3+])C2CC2)CC(F)(F)C1 ZINC000720459872 712844582 /nfs/dbraw/zinc/84/45/82/712844582.db2.gz QFQGJEJRMKTUNT-MRVPVSSYSA-N 1 0 232.274 1.275 10 0 BDAERO C[C@H]([NH2+][C@H]1C=CCCC1)c1cn(C)nn1 ZINC000720595762 712856536 /nfs/dbraw/zinc/85/65/36/712856536.db2.gz NBYIHJDCHQJROT-UWVGGRQHSA-N 1 0 206.293 1.574 10 0 BDAERO C[C@@H]([NH2+]C[Si](C)(C)C)c1cn(C)nn1 ZINC000720615793 712859283 /nfs/dbraw/zinc/85/92/83/712859283.db2.gz SPGUTMPMTCLDPO-MRVPVSSYSA-N 1 0 212.373 1.343 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H]2CCO[C@H]21 ZINC000720892610 712874595 /nfs/dbraw/zinc/87/45/95/712874595.db2.gz JGTVTKGEEWAMKP-KKJSVHSVSA-N 1 0 225.332 1.160 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720890646 712875315 /nfs/dbraw/zinc/87/53/15/712875315.db2.gz CEUYLUVJXKCEPZ-GARJFASQSA-N 1 0 213.321 1.305 10 0 BDAERO C[NH2+]C[C@H](C)c1noc(C2CC(F)(F)C2)n1 ZINC000721033123 712887705 /nfs/dbraw/zinc/88/77/05/712887705.db2.gz VJVSFDHOIJJOTB-LURJTMIESA-N 1 0 231.246 1.905 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1cncc(Cl)n1 ZINC000721090712 712890414 /nfs/dbraw/zinc/89/04/14/712890414.db2.gz NZRBYNQCEKHICY-RKDXNWHRSA-N 1 0 240.738 1.788 10 0 BDAERO C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@H]2C2CC2)n1 ZINC000721102005 712890840 /nfs/dbraw/zinc/89/08/40/712890840.db2.gz SRJNTVXZTCEFEW-FKTZTGRPSA-N 1 0 221.304 1.734 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C(=O)[O-])CC[N@@H+]1C ZINC000396056857 951472905 /nfs/dbraw/zinc/47/29/05/951472905.db2.gz ZVWWYSJCHHCDOE-GHMZBOCLSA-N 1 0 242.363 1.560 10 0 BDAERO C[C@H]1C[C@H]([NH2+]CCC(C)(C)C(=O)[O-])CC[N@@H+]1C ZINC000396056863 951473517 /nfs/dbraw/zinc/47/35/17/951473517.db2.gz ZVWWYSJCHHCDOE-WDEREUQCSA-N 1 0 242.363 1.560 10 0 BDAERO CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(=O)[O-] ZINC000693894699 954771216 /nfs/dbraw/zinc/77/12/16/954771216.db2.gz QOJOIPFIVWZREC-MNOVXSKESA-N 1 0 228.336 1.170 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](C(=O)[O-])C(C)(C)C ZINC000693908785 976659212 /nfs/dbraw/zinc/65/92/12/976659212.db2.gz SCVDISCKTDQGDU-MNOVXSKESA-N 1 0 242.363 1.560 10 0 BDAERO CC(C)([NH2+]CCC[NH+]1CCCCC1)C(=O)[O-] ZINC000695402515 976794886 /nfs/dbraw/zinc/79/48/86/976794886.db2.gz AREMNZSHXVFENL-UHFFFAOYSA-N 1 0 228.336 1.315 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C[NH3+])C[C@H]1C ZINC000685953435 538898159 /nfs/dbraw/zinc/89/81/59/538898159.db2.gz HDNQILBBGYWLJC-KXUCPTDWSA-N 1 0 219.350 1.185 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000685954169 538899121 /nfs/dbraw/zinc/89/91/21/538899121.db2.gz LPHOYZILLHSROT-OPRDCNLKSA-N 1 0 219.350 1.185 10 0 BDAERO Cc1cc(C)cc([C@@H]2NC(=O)CC[C@@H]2[NH3+])c1 ZINC000070647552 177917048 /nfs/dbraw/zinc/91/70/48/177917048.db2.gz WOXMATMRIFFFBP-AAEUAGOBSA-N 1 0 218.300 1.582 10 0 BDAERO C[C@@H](OCC(F)(F)C[NH3+])C(F)(F)F ZINC000685955677 538901423 /nfs/dbraw/zinc/90/14/23/538901423.db2.gz NXEKFJFXFBNGTM-SCSAIBSYSA-N 1 0 207.142 1.548 10 0 BDAERO [NH3+]CCc1cnc(C(Cl)(Cl)Cl)nc1 ZINC000685955831 538901800 /nfs/dbraw/zinc/90/18/00/538901800.db2.gz DVPQXGIQUIHSSU-UHFFFAOYSA-N 1 0 240.521 1.805 10 0 BDAERO CNCC(F)(F)CN1C[C@@H]2CCC[C@H]21 ZINC000685956873 538901806 /nfs/dbraw/zinc/90/18/06/538901806.db2.gz LWJJRQKCNJPDMK-DTWKUNHWSA-N 1 0 204.264 1.325 10 0 BDAERO CCNCC(F)(F)COCCSC ZINC000685957109 538903511 /nfs/dbraw/zinc/90/35/11/538903511.db2.gz MSIZGRMDXRZPFP-UHFFFAOYSA-N 1 0 213.293 1.611 10 0 BDAERO CNCC(F)(F)CN(C)CC(F)F ZINC000685957048 538903543 /nfs/dbraw/zinc/90/35/43/538903543.db2.gz KWRCXKYBBXRSAL-UHFFFAOYSA-N 1 0 202.195 1.038 10 0 BDAERO CNCC(F)(F)COC[C@@H]1CCCO1 ZINC000685957039 538903993 /nfs/dbraw/zinc/90/39/93/538903993.db2.gz QJEMTXCPUMCFIH-QMMMGPOBSA-N 1 0 209.236 1.037 10 0 BDAERO CCC[NH2+]CC(F)(F)Cn1ccnc1 ZINC000685957194 538904149 /nfs/dbraw/zinc/90/41/49/538904149.db2.gz UILAWPBXZSMOED-UHFFFAOYSA-N 1 0 203.236 1.518 10 0 BDAERO CCN(CC(F)(F)CN)[C@H](C)C(C)C ZINC000685957661 538905072 /nfs/dbraw/zinc/90/50/72/538905072.db2.gz XDBFXOZEJAIBJX-SECBINFHSA-N 1 0 208.296 1.947 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@H]1c1cccc(C2CC2)c1 ZINC000685965916 538910559 /nfs/dbraw/zinc/91/05/59/538910559.db2.gz YTIANQNGSSCAPK-KBPBESRZSA-N 1 0 216.328 1.968 10 0 BDAERO CC(C)[NH2+]CC[C@H](CO)C1CCOCC1 ZINC000685961001 538907938 /nfs/dbraw/zinc/90/79/38/538907938.db2.gz LPMIHONMRBVPBK-GFCCVEGCSA-N 1 0 215.337 1.410 10 0 BDAERO CC(C)[NH2+]CC[C@H](CO)[C@@H]1CCCOC1 ZINC000685960741 538908343 /nfs/dbraw/zinc/90/83/43/538908343.db2.gz AYZHNKKNJWYNFI-VXGBXAGGSA-N 1 0 215.337 1.410 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@@H](CO)[C@@H]1CCOC1 ZINC000685963250 538908583 /nfs/dbraw/zinc/90/85/83/538908583.db2.gz KCUUYJAQEXLXDS-SDDRHHMPSA-N 1 0 215.337 1.410 10 0 BDAERO COCC(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685962204 538909395 /nfs/dbraw/zinc/90/93/95/538909395.db2.gz YAYGSNMUUFGCOT-GWCFXTLKSA-N 1 0 237.299 1.135 10 0 BDAERO CCC[NH2+]CC[C@@H](CO)[C@@H]1CCCOC1 ZINC000685963080 538910189 /nfs/dbraw/zinc/91/01/89/538910189.db2.gz GEGWGNIEJPLWFE-NWDGAFQWSA-N 1 0 215.337 1.411 10 0 BDAERO CCCC[NH2+]CC[C@H](CO)[C@@H]1CCOC1 ZINC000685963685 538910354 /nfs/dbraw/zinc/91/03/54/538910354.db2.gz VOUZNGXJDOORPR-VXGBXAGGSA-N 1 0 215.337 1.411 10 0 BDAERO O=Cc1ccc(-c2n[nH]c3c2C[NH2+]CC3)s1 ZINC000685952800 538896767 /nfs/dbraw/zinc/89/67/67/538896767.db2.gz QFCXSMBSUJYRFX-UHFFFAOYSA-N 1 0 233.296 1.596 10 0 BDAERO CC(C)[C@H](O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000336684260 187320977 /nfs/dbraw/zinc/32/09/77/187320977.db2.gz JMSYQXBOMBVMMJ-OUAUKWLOSA-N 1 0 201.310 1.113 10 0 BDAERO Nc1cn(C[C@H]2CCC(F)(F)C2)cn1 ZINC000685964154 538911033 /nfs/dbraw/zinc/91/10/33/538911033.db2.gz BRMIEOHDXIYABN-ZETCQYMHSA-N 1 0 201.220 1.901 10 0 BDAERO Nc1cn([C@H]2CCOC3(CCC3)C2)cn1 ZINC000685964168 538911171 /nfs/dbraw/zinc/91/11/71/538911171.db2.gz DKARBSVLTCZBDY-VIFPVBQESA-N 1 0 207.277 1.740 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CCn1cnc(N)c1 ZINC000685964206 538911177 /nfs/dbraw/zinc/91/11/77/538911177.db2.gz NOBICLVLYJDTEM-JTQLQIEISA-N 1 0 208.309 1.340 10 0 BDAERO Cc1cc(F)ccc1[C@@H]1C[NH2+]C[C@@]1(C)N ZINC000685965377 538911720 /nfs/dbraw/zinc/91/17/20/538911720.db2.gz BTSFVHGSEUQMQC-NWDGAFQWSA-N 1 0 208.280 1.538 10 0 BDAERO COc1cc(F)cc([C@@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965409 538911727 /nfs/dbraw/zinc/91/17/27/538911727.db2.gz CNGIMDZQZDIPOE-RYUDHWBXSA-N 1 0 224.279 1.239 10 0 BDAERO Cc1ccc(F)c([C@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965734 538912450 /nfs/dbraw/zinc/91/24/50/538912450.db2.gz QHAPFTDTEDQCPS-ZYHUDNBSSA-N 1 0 208.280 1.538 10 0 BDAERO Cc1ccc(F)c([C@@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965731 538912570 /nfs/dbraw/zinc/91/25/70/538912570.db2.gz QHAPFTDTEDQCPS-CMPLNLGQSA-N 1 0 208.280 1.538 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@H]1c1cccc(F)c1F ZINC000685965903 538912979 /nfs/dbraw/zinc/91/29/79/538912979.db2.gz YLCMXWWJKJLFRH-GZMMTYOYSA-N 1 0 212.243 1.369 10 0 BDAERO CC[C@H]([NH3+])c1nc(C(F)F)cc(=O)[nH]1 ZINC000070947860 398142314 /nfs/dbraw/zinc/14/23/14/398142314.db2.gz RRMQQOZBZLIVND-BYPYZUCNSA-N 1 0 203.192 1.117 10 0 BDAERO c1cnn(CCN2CCC([NH+]3CCCC3)CC2)c1 ZINC000058396308 349463891 /nfs/dbraw/zinc/46/38/91/349463891.db2.gz VYLISSIOGSOESF-UHFFFAOYSA-N 1 0 248.374 1.443 10 0 BDAERO Nc1cccc([C@H]2CCN(CC[NH3+])C2)c1 ZINC000616612033 349471613 /nfs/dbraw/zinc/47/16/13/349471613.db2.gz KEADXHLGCYXEBU-NSHDSACASA-N 1 0 205.305 1.017 10 0 BDAERO CCCCOCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161622598 349476913 /nfs/dbraw/zinc/47/69/13/349476913.db2.gz WZGYWHXVSOYXCB-GFCCVEGCSA-N 1 0 215.337 1.507 10 0 BDAERO CC[C@](C)(C[NH3+])[C@@H](O)c1nccs1 ZINC000161781706 538918601 /nfs/dbraw/zinc/91/86/01/538918601.db2.gz NELPCWOPCOUBNV-IONNQARKSA-N 1 0 200.307 1.552 10 0 BDAERO Cc1cc(C[NH3+])nc(-c2ccccn2)n1 ZINC000054830688 177983482 /nfs/dbraw/zinc/98/34/82/177983482.db2.gz LMUPEBSULLIWEF-UHFFFAOYSA-N 1 0 200.245 1.306 10 0 BDAERO CC(C)C[C@@H](C[NH3+])N1CCCO[C@H](C)C1 ZINC000061916106 187322116 /nfs/dbraw/zinc/32/21/16/187322116.db2.gz GHFAOCHTHSKLGR-NEPJUHHUSA-N 1 0 214.353 1.471 10 0 BDAERO OCC[C@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000161600861 349484353 /nfs/dbraw/zinc/48/43/53/349484353.db2.gz DDXFKTWWUBQKIS-CYBMUJFWSA-N 1 0 220.316 1.328 10 0 BDAERO CCC(CC)C(=O)N(CC[NH3+])C(C)C ZINC000020183200 168333934 /nfs/dbraw/zinc/33/39/34/168333934.db2.gz YDBLVXMWXBCWJZ-UHFFFAOYSA-N 1 0 200.326 1.618 10 0 BDAERO C[C@H]([NH3+])CCNc1ncnc2ccccc21 ZINC000063171500 349500815 /nfs/dbraw/zinc/50/08/15/349500815.db2.gz KKRXMEIWQITPFE-VIFPVBQESA-N 1 0 216.288 1.779 10 0 BDAERO C=Cn1cc(C[NH2+]C[C@H]2CCC[C@H]2O)cn1 ZINC000236530159 398153620 /nfs/dbraw/zinc/15/36/20/398153620.db2.gz BCYGFGLHMFYMSJ-VXGBXAGGSA-N 1 0 221.304 1.234 10 0 BDAERO CN(C)c1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000041028341 346816986 /nfs/dbraw/zinc/81/69/86/346816986.db2.gz OZVNNPHFKUVZRQ-LBPRGKRZSA-N 1 0 247.342 1.316 10 0 BDAERO c1cnc(CCN2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000390302348 398168094 /nfs/dbraw/zinc/16/80/94/398168094.db2.gz LGDMVZCBFNVUSS-AWEZNQCLSA-N 1 0 246.358 1.189 10 0 BDAERO CC1CC(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000390459382 398172961 /nfs/dbraw/zinc/17/29/61/398172961.db2.gz FEPVMVATRKYSND-LXKPXOPUSA-N 1 0 210.321 1.419 10 0 BDAERO [NH3+]Cc1cnc(N2CC[C@H](F)C2)s1 ZINC000575517157 398173672 /nfs/dbraw/zinc/17/36/72/398173672.db2.gz GUMCUJPORNEWQM-LURJTMIESA-N 1 0 201.270 1.150 10 0 BDAERO CS(C)(=O)=NC[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 ZINC000307397208 398160728 /nfs/dbraw/zinc/16/07/28/398160728.db2.gz VAOCRLDYNHDIBZ-GUBZILKMSA-N 1 0 216.350 1.102 10 0 BDAERO C[C@@](O)(C[NH2+]CC[C@@H]1CCCO1)C(F)(F)F ZINC000390139930 398161706 /nfs/dbraw/zinc/16/17/06/398161706.db2.gz ODBADIZLJHXGTD-DTWKUNHWSA-N 1 0 241.253 1.458 10 0 BDAERO Cc1cc(Cl)cc(C)c1OC[C@H](O)C[NH3+] ZINC000022165108 178062953 /nfs/dbraw/zinc/06/29/53/178062953.db2.gz PCHMVUJLISPURT-SNVBAGLBSA-N 1 0 229.707 1.655 10 0 BDAERO COc1ccc(C[C@H]2C[NH2+]CCC2=O)cc1 ZINC000071521251 187325377 /nfs/dbraw/zinc/32/53/77/187325377.db2.gz WDPVQNNSGJRVPS-NSHDSACASA-N 1 0 219.284 1.416 10 0 BDAERO Cc1cc(Cl)nc(O[C@H]2CCC[NH2+]C2)n1 ZINC000095068942 178071898 /nfs/dbraw/zinc/07/18/98/178071898.db2.gz IHZSZDOBUDVNFP-QMMMGPOBSA-N 1 0 227.695 1.569 10 0 BDAERO [NH3+][C@@H](c1ccc[nH]1)[C@H]1CSCCS1 ZINC000307443871 398167066 /nfs/dbraw/zinc/16/70/66/398167066.db2.gz CIFLONBBQLVEST-BDAKNGLRSA-N 1 0 214.359 1.863 10 0 BDAERO Cc1cc(F)cc2c1N1[C@@H](C2)C[NH2+]C[C@H]1C ZINC000095922434 178080562 /nfs/dbraw/zinc/08/05/62/178080562.db2.gz JCXPVDATAVDKTJ-SKDRFNHKSA-N 1 0 220.291 1.857 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC2(CCC2)C1 ZINC000380542504 398199433 /nfs/dbraw/zinc/19/94/33/398199433.db2.gz TZGOOGGCULURSF-RYUDHWBXSA-N 1 0 236.359 1.764 10 0 BDAERO C[C@@]1(NC2=[NH+]CCS2)CCCOC1 ZINC000235441970 398189339 /nfs/dbraw/zinc/18/93/39/398189339.db2.gz GLSXIPJQLYEBNB-SECBINFHSA-N 1 0 200.307 1.248 10 0 BDAERO Cc1cc(N)ccc1NC(=O)C[N@@H+](C)C(C)C ZINC000022212471 178105311 /nfs/dbraw/zinc/10/53/11/178105311.db2.gz JVHVYZZEQXWJRG-UHFFFAOYSA-N 1 0 235.331 1.856 10 0 BDAERO Cc1cc(N)ccc1NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484561 178106499 /nfs/dbraw/zinc/10/64/99/178106499.db2.gz IHGIIWGGFMIMNS-NSHDSACASA-N 1 0 219.332 1.941 10 0 BDAERO Cc1cc(N2CCC(C[NH2+]C(C)C)CC2)ncn1 ZINC000053664762 178112444 /nfs/dbraw/zinc/11/24/44/178112444.db2.gz WCLMMHJITVVXOT-UHFFFAOYSA-N 1 0 248.374 1.999 10 0 BDAERO Cc1cc(N2CC[C@H](C[NH3+])C2)nc(Cl)n1 ZINC000095068821 178120060 /nfs/dbraw/zinc/12/00/60/178120060.db2.gz DSFSUVSHWLDPMD-MRVPVSSYSA-N 1 0 226.711 1.223 10 0 BDAERO Cc1cc(N2C[C@@H]3C[NH2+]C[C@@H]32)cnc1C ZINC000028865878 178121286 /nfs/dbraw/zinc/12/12/86/178121286.db2.gz ZTWHVRXLTQENEO-JQWIXIFHSA-N 1 0 203.289 1.106 10 0 BDAERO Cc1cc(NC(=O)C2(C[NH3+])CCC2)no1 ZINC000082640948 178125347 /nfs/dbraw/zinc/12/53/47/178125347.db2.gz RCSPOHMWPPRDGP-UHFFFAOYSA-N 1 0 209.249 1.051 10 0 BDAERO CCOC1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC000162780307 538924986 /nfs/dbraw/zinc/92/49/86/538924986.db2.gz ITJNWZGDRWKSPD-CXQJBGSLSA-N 1 0 213.321 1.713 10 0 BDAERO Cc1cnc([C@H](C)NC[C@@H]2CCC[N@@H+]2C)o1 ZINC000386269922 398204397 /nfs/dbraw/zinc/20/43/97/398204397.db2.gz YYTCCZFITYEGCM-QWRGUYRKSA-N 1 0 223.320 1.728 10 0 BDAERO CCn1cccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000234191173 187327337 /nfs/dbraw/zinc/32/73/37/187327337.db2.gz JGTKWYWXZKDUMW-VIFPVBQESA-N 1 0 236.237 1.521 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000092349755 178147884 /nfs/dbraw/zinc/14/78/84/178147884.db2.gz RMQQCKGSVJCCEH-WDEREUQCSA-N 1 0 233.315 1.846 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2)C1(C)C ZINC000336894356 398218079 /nfs/dbraw/zinc/21/80/79/398218079.db2.gz LVPKOAAGURNIRL-JHJVBQTASA-N 1 0 240.391 1.874 10 0 BDAERO Cc1cc(NC(=O)c2c[nH+]ccc2N)ccn1 ZINC000128116324 178151414 /nfs/dbraw/zinc/15/14/14/178151414.db2.gz WBQWLVQZAPRQFA-UHFFFAOYSA-N 1 0 228.255 1.620 10 0 BDAERO CN(C(=O)[C@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000082920496 136222127 /nfs/dbraw/zinc/22/21/27/136222127.db2.gz XWOIUOGWJHUIHE-WDEREUQCSA-N 1 0 210.321 1.515 10 0 BDAERO Cc1cc(N[C@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000104312904 178186983 /nfs/dbraw/zinc/18/69/83/178186983.db2.gz UWSWQZGZYSKDAF-ZDUSSCGKSA-N 1 0 242.326 1.767 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000139317691 361738538 /nfs/dbraw/zinc/73/85/38/361738538.db2.gz DIFRBQGETHYRLU-WDEREUQCSA-N 1 0 227.352 1.424 10 0 BDAERO CCSCC[C@@H](O)[C@](C)(CC)C[NH3+] ZINC000164109174 538931225 /nfs/dbraw/zinc/93/12/25/538931225.db2.gz SCDYNQIWLIRGLR-NXEZZACHSA-N 1 0 205.367 1.866 10 0 BDAERO Cc1cc(O)c(SC(N)=[NH2+])c(C)c1O ZINC000039097220 178197295 /nfs/dbraw/zinc/19/72/95/178197295.db2.gz ICDBOKIQUMUOPC-UHFFFAOYSA-N 1 0 212.274 1.700 10 0 BDAERO C[NH2+]C[C@@H](C)N1CCSCC[C@@H]1C ZINC000306641085 361750682 /nfs/dbraw/zinc/75/06/82/361750682.db2.gz PZYYIHMONDYMBE-VHSXEESVSA-N 1 0 202.367 1.422 10 0 BDAERO Cc1cc(OC2CC[NH2+]CC2)nc(Cl)n1 ZINC000095068979 178208489 /nfs/dbraw/zinc/20/84/89/178208489.db2.gz KVLGQJBKPYMPMU-UHFFFAOYSA-N 1 0 227.695 1.569 10 0 BDAERO Cc1cc(OC[C@H](C)[NH3+])cnc1Cl ZINC000013819715 178212314 /nfs/dbraw/zinc/21/23/14/178212314.db2.gz LATOIBNQRJGODZ-ZETCQYMHSA-N 1 0 200.669 1.769 10 0 BDAERO Cc1cc(OC[C@@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000095068984 178212450 /nfs/dbraw/zinc/21/24/50/178212450.db2.gz LKUKVYBPTBDVHQ-SECBINFHSA-N 1 0 241.722 1.817 10 0 BDAERO CCC(CC)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000308852621 168353239 /nfs/dbraw/zinc/35/32/39/168353239.db2.gz RRFKBCFAWQZTPS-RYUDHWBXSA-N 1 0 215.337 1.504 10 0 BDAERO Cc1cc(SC[C@@H]2CC[NH2+]C2)n(C)n1 ZINC000052311671 178218414 /nfs/dbraw/zinc/21/84/14/178218414.db2.gz SNIWNQIWGBADCP-SECBINFHSA-N 1 0 211.334 1.430 10 0 BDAERO C[C@@H](CO)Nc1ccc(Cl)cc1C[NH3+] ZINC000070821492 361774547 /nfs/dbraw/zinc/77/45/47/361774547.db2.gz XSCWFIWRKPUBJQ-ZETCQYMHSA-N 1 0 214.696 1.591 10 0 BDAERO C[C@](O)(C[C@H]1CCC[NH2+]1)c1ccsn1 ZINC000306643442 361781180 /nfs/dbraw/zinc/78/11/80/361781180.db2.gz WRHNHVGOYFWLIN-SCZZXKLOSA-N 1 0 212.318 1.493 10 0 BDAERO Cc1cc([C@H](C)N2C[C@H]([NH3+])CC2=O)c(C)s1 ZINC000049511361 178244018 /nfs/dbraw/zinc/24/40/18/178244018.db2.gz OMYARISYCDFIFC-WCBMZHEXSA-N 1 0 238.356 1.986 10 0 BDAERO Cc1cncc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000266067021 187332845 /nfs/dbraw/zinc/33/28/45/187332845.db2.gz BWIAAYFDAWDYQH-CYBMUJFWSA-N 1 0 245.326 1.310 10 0 BDAERO C=CC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616571198 538938191 /nfs/dbraw/zinc/93/81/91/538938191.db2.gz PTENHUPJUFIPKD-CHWSQXEVSA-N 1 0 230.311 1.516 10 0 BDAERO Cc1cc([C@H]([NH3+])CO)c(F)cc1Cl ZINC000072197961 178263117 /nfs/dbraw/zinc/26/31/17/178263117.db2.gz YOKPIGCLVRVKRK-SECBINFHSA-N 1 0 203.644 1.780 10 0 BDAERO Cc1cc([C@H](O)C[NH3+])cc(C(C)(C)C)c1O ZINC000039110591 178263937 /nfs/dbraw/zinc/26/39/37/178263937.db2.gz WDTNKWFAGOSNIR-LLVKDONJSA-N 1 0 223.316 1.990 10 0 BDAERO CCC(CC)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790348 168361867 /nfs/dbraw/zinc/36/18/67/168361867.db2.gz YFBDNLCAAKULLL-GFCCVEGCSA-N 1 0 214.353 1.343 10 0 BDAERO C[NH2+]Cc1ncc(-c2ccncc2)s1 ZINC000220126949 398243881 /nfs/dbraw/zinc/24/38/81/398243881.db2.gz AAPQMQHAQZGESK-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO Cc1cnc(C)c(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000576570256 365627978 /nfs/dbraw/zinc/62/79/78/365627978.db2.gz LHCPKSPRIPZHLL-AWEZNQCLSA-N 1 0 246.358 1.673 10 0 BDAERO Cc1cc2c(n1[C@H](C)C(N)=O)CCC[C@@H]2[NH3+] ZINC000041730878 178293230 /nfs/dbraw/zinc/29/32/30/178293230.db2.gz MRXIVALKEGLGLB-SCZZXKLOSA-N 1 0 221.304 1.179 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CCC(C)(C)C)C1 ZINC000343987157 365649563 /nfs/dbraw/zinc/64/95/63/365649563.db2.gz SCOJSMJAJVKLCB-MNOVXSKESA-N 1 0 215.337 1.504 10 0 BDAERO CC1(C)[C@@H]([NH2+]CC2(CO)CC2)[C@@H]2CCO[C@@H]21 ZINC000168833335 538945466 /nfs/dbraw/zinc/94/54/66/538945466.db2.gz PMXMIUQLKSBPJG-DCAQKATOSA-N 1 0 225.332 1.162 10 0 BDAERO Cc1ccc(-c2nn(C)cc2C[NH3+])s1 ZINC000082640485 178339252 /nfs/dbraw/zinc/33/92/52/178339252.db2.gz MLGCTVYQBKMVCL-UHFFFAOYSA-N 1 0 207.302 1.916 10 0 BDAERO Cc1ccc(-n2cc(CC[NH3+])cn2)c(C)c1 ZINC000071519384 178345821 /nfs/dbraw/zinc/34/58/21/178345821.db2.gz KYKUMVGVAIVNCK-UHFFFAOYSA-N 1 0 215.300 1.990 10 0 BDAERO Cc1ccc(-n2nnnc2C[NH2+]C(C)C)cc1C ZINC000054744429 178350916 /nfs/dbraw/zinc/35/09/16/178350916.db2.gz YMIVIHZNJMTQOM-UHFFFAOYSA-N 1 0 245.330 1.777 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC2)C1 ZINC000176682785 538950631 /nfs/dbraw/zinc/95/06/31/538950631.db2.gz LWOJPMLMXOTGKY-MNOVXSKESA-N 1 0 225.336 1.130 10 0 BDAERO CCNC(=O)NC[C@H]([NH3+])C(CC)CC ZINC000230628940 538950695 /nfs/dbraw/zinc/95/06/95/538950695.db2.gz DMJQLQJFMKBRLD-VIFPVBQESA-N 1 0 201.314 1.069 10 0 BDAERO CCC[C@@H](C[NH3+])[C@@H](O)CCCSC ZINC000231743895 538952854 /nfs/dbraw/zinc/95/28/54/538952854.db2.gz KTHQWXMBLIOWNY-UWVGGRQHSA-N 1 0 205.367 1.866 10 0 BDAERO CCOc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000378757880 346826101 /nfs/dbraw/zinc/82/61/01/346826101.db2.gz ZDFNUNITFGLZPJ-WCQYABFASA-N 1 0 221.300 1.556 10 0 BDAERO CCC(CC)N(CCO)C(=O)CCCCC[NH3+] ZINC000042526162 168373261 /nfs/dbraw/zinc/37/32/61/168373261.db2.gz FTVCGILXKNLGLH-UHFFFAOYSA-N 1 0 244.379 1.515 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2nccc3ccccc32)C1 ZINC000616612518 349570319 /nfs/dbraw/zinc/57/03/19/349570319.db2.gz UZPSRUJJNJYFRS-CYBMUJFWSA-N 1 0 241.338 1.983 10 0 BDAERO C[C@H](C[NH2+][C@H](C)c1ccoc1)N1CCOCC1 ZINC000177732473 538952143 /nfs/dbraw/zinc/95/21/43/538952143.db2.gz CZJGGTQRPDTPHV-VXGBXAGGSA-N 1 0 238.331 1.651 10 0 BDAERO CC[N@H+](C[C@H]1CCC[C@H](O)C1)CC(C)(C)O ZINC000381636062 398267249 /nfs/dbraw/zinc/26/72/49/398267249.db2.gz OGAIFRJBCSVJIN-RYUDHWBXSA-N 1 0 229.364 1.630 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC(F)(F)CC1 ZINC000634738759 398269760 /nfs/dbraw/zinc/26/97/60/398269760.db2.gz YNKGISZNPBHLCI-NXEZZACHSA-N 1 0 246.301 1.490 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@H]1CCCC[NH2+]1 ZINC000042526155 168374876 /nfs/dbraw/zinc/37/48/76/168374876.db2.gz SIALZYGDHMPPRS-GFCCVEGCSA-N 1 0 242.363 1.138 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)s1 ZINC000113468461 178397261 /nfs/dbraw/zinc/39/72/61/178397261.db2.gz LYNGQUPZKYWAQN-JTQLQIEISA-N 1 0 238.356 1.833 10 0 BDAERO CC(C)(C)n1cc(C[NH2+][C@@H]2C[C@H]2CO)cn1 ZINC000378778765 346830699 /nfs/dbraw/zinc/83/06/99/346830699.db2.gz IQXKXIISVNGLPA-WDEREUQCSA-N 1 0 223.320 1.109 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)C1CCCC1 ZINC000381769389 398271617 /nfs/dbraw/zinc/27/16/17/398271617.db2.gz VXKTZTFVCCMMCW-ZJUUUORDSA-N 1 0 212.337 1.666 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)c2c[nH]nc2C)c1 ZINC000180801217 538958979 /nfs/dbraw/zinc/95/89/79/538958979.db2.gz NDKCHOYUHJYLLW-SNVBAGLBSA-N 1 0 233.319 1.574 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000300237392 192040889 /nfs/dbraw/zinc/04/08/89/192040889.db2.gz ACCDYNLZLVAMNT-STQMWFEESA-N 1 0 229.364 1.630 10 0 BDAERO [NH3+]Cc1nc2c(s1)CCc1occc1-2 ZINC000126831666 342694956 /nfs/dbraw/zinc/69/49/56/342694956.db2.gz SVLMSRDXOGOKLU-UHFFFAOYSA-N 1 0 206.270 1.960 10 0 BDAERO C[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCS1 ZINC000189110748 346859044 /nfs/dbraw/zinc/85/90/44/346859044.db2.gz UHRWPECNHOIXGT-QWRGUYRKSA-N 1 0 215.362 1.993 10 0 BDAERO Nc1ccc(C(=O)OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000001996126 342714261 /nfs/dbraw/zinc/71/42/61/342714261.db2.gz MSQYGQSPGJZUJC-ZDUSSCGKSA-N 1 0 248.326 1.958 10 0 BDAERO [NH3+][C@@H](c1ccccn1)[C@H](O)c1ccccc1 ZINC000165783949 361845981 /nfs/dbraw/zinc/84/59/81/361845981.db2.gz GWNYLQCXQVCDFL-QWHCGFSZSA-N 1 0 214.268 1.815 10 0 BDAERO CCC(CC)NC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000019432812 168382583 /nfs/dbraw/zinc/38/25/83/168382583.db2.gz CCVBMAMWBBDXHC-ONGXEEELSA-N 1 0 212.337 1.822 10 0 BDAERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ncc(Cl)s1 ZINC000306652284 361863066 /nfs/dbraw/zinc/86/30/66/361863066.db2.gz GKSXULFDWYJQFV-WHFBIAKZSA-N 1 0 233.724 1.718 10 0 BDAERO COc1cccc([C@@H](CO)[NH2+]C(C)C)c1 ZINC000038115764 538965073 /nfs/dbraw/zinc/96/50/73/538965073.db2.gz BUWXTMGWMSYUGD-GFCCVEGCSA-N 1 0 209.289 1.727 10 0 BDAERO CCN1CC2(C)C[NH+](CC)CC(C)(C1)C2O ZINC000003162419 342731084 /nfs/dbraw/zinc/73/10/84/342731084.db2.gz VKTYTIIOIVYHSD-UHFFFAOYSA-N 1 0 226.364 1.031 10 0 BDAERO CCC[C@@]1(NC(C)=O)C[NH+]2CCC1CC2 ZINC000146846654 342772411 /nfs/dbraw/zinc/77/24/11/342772411.db2.gz ZVGBJSCWXNTVRL-GFCCVEGCSA-N 1 0 210.321 1.387 10 0 BDAERO O[C@@H]1C[NH2+]Cc2ccc(Br)cc21 ZINC000146885915 342772926 /nfs/dbraw/zinc/77/29/26/342772926.db2.gz JLMPFNAKFUEINX-SECBINFHSA-N 1 0 228.089 1.586 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N(C)S(C)(=O)=O ZINC000147038002 342774394 /nfs/dbraw/zinc/77/43/94/342774394.db2.gz CVFVZJWYSYRPFR-MRVPVSSYSA-N 1 0 228.317 1.102 10 0 BDAERO C[NH2+][C@@H](C)Cc1noc(C2CC(C)C2)n1 ZINC000309643645 342775096 /nfs/dbraw/zinc/77/50/96/342775096.db2.gz PMCKYVLRFNRXKS-MGURRDGZSA-N 1 0 209.293 1.734 10 0 BDAERO CC(C)c1noc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000172581665 346862143 /nfs/dbraw/zinc/86/21/43/346862143.db2.gz YCRSBBQLZLRHQO-SNVBAGLBSA-N 1 0 236.319 1.477 10 0 BDAERO CCN(CC[NH3+])c1nc([C@@H](C)OC)ns1 ZINC000379832781 361894637 /nfs/dbraw/zinc/89/46/37/361894637.db2.gz DFYNBYIZRXUYHT-SSDOTTSWSA-N 1 0 230.337 1.031 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(Br)o1 ZINC000002530264 342789568 /nfs/dbraw/zinc/78/95/68/342789568.db2.gz GTLGXLREIQUXBH-RXMQYKEDSA-N 1 0 220.066 1.424 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188408832 538978991 /nfs/dbraw/zinc/97/89/91/538978991.db2.gz KQYFGRCOVIYYLT-CHWSQXEVSA-N 1 0 237.347 1.630 10 0 BDAERO CCC(CC)[NH2+][C@@H]1CCc2nccn2C1 ZINC000308946107 168392971 /nfs/dbraw/zinc/39/29/71/168392971.db2.gz NTIYALIAIAQIFG-LLVKDONJSA-N 1 0 207.321 1.976 10 0 BDAERO C[C@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2C[C@H]2CO)o1 ZINC000378802341 538974425 /nfs/dbraw/zinc/97/44/25/538974425.db2.gz UXBHIKNFZRWTPQ-GAIPPQHRSA-N 1 0 221.300 1.873 10 0 BDAERO C[C@H](CCCCO)[NH2+]C1CC(F)(F)C1 ZINC000379662233 538979062 /nfs/dbraw/zinc/97/90/62/538979062.db2.gz RBTQYXCJSGGLBO-MRVPVSSYSA-N 1 0 207.264 1.925 10 0 BDAERO CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000191979212 538994034 /nfs/dbraw/zinc/99/40/34/538994034.db2.gz CEGNYYUBQXCNBM-GFCCVEGCSA-N 1 0 233.315 1.495 10 0 BDAERO CC(C)[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000380277770 538988672 /nfs/dbraw/zinc/98/86/72/538988672.db2.gz YBDBJKBPAMSFFX-NSHDSACASA-N 1 0 214.353 1.077 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cnn(C)c1 ZINC000044498677 538989556 /nfs/dbraw/zinc/98/95/56/538989556.db2.gz JKMZTPHLRBPNSG-WCQGTBRESA-N 1 0 223.320 1.374 10 0 BDAERO C[C@H]1CSC(N[C@@H]2CCCOC2)=[NH+]1 ZINC000071023299 361930299 /nfs/dbraw/zinc/93/02/99/361930299.db2.gz BXJANARJDVCTDK-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2ccon2)C1 ZINC000379913523 538981352 /nfs/dbraw/zinc/98/13/52/538981352.db2.gz AETPSYGRBGDEGM-GXSJLCMTSA-N 1 0 209.293 1.104 10 0 BDAERO c1cn2c(n1)C[C@@H](C[NH2+]C1CSC1)CC2 ZINC000380113264 538985433 /nfs/dbraw/zinc/98/54/33/538985433.db2.gz OUPLPLFIJSYOGQ-VIFPVBQESA-N 1 0 223.345 1.151 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2csc(C)n2)C1 ZINC000381722932 539006664 /nfs/dbraw/zinc/00/66/64/539006664.db2.gz MDIZZEPLMVSBFI-JOYOIKCWSA-N 1 0 239.388 1.881 10 0 BDAERO CC1(C[NH2+][C@H]2CCc3nccn3C2)CCC1 ZINC000381258949 538997196 /nfs/dbraw/zinc/99/71/96/538997196.db2.gz RLPDTGSZYYWQFM-NSHDSACASA-N 1 0 219.332 1.978 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1cccc(F)c1 ZINC000381339950 538998919 /nfs/dbraw/zinc/99/89/19/538998919.db2.gz XGSGNLIVWJQDHR-GZMMTYOYSA-N 1 0 222.263 1.365 10 0 BDAERO C[C@H](c1ccccc1)[C@H]1[NH2+]CCCNC1=O ZINC000107089341 539020118 /nfs/dbraw/zinc/02/01/18/539020118.db2.gz HWBWWTDWIJHTFZ-ZYHUDNBSSA-N 1 0 218.300 1.268 10 0 BDAERO COc1ccc(CC(F)(F)C[NH3+])cc1 ZINC000238381668 259325540 /nfs/dbraw/zinc/32/55/40/259325540.db2.gz HPYDXZFOICBUCZ-UHFFFAOYSA-N 1 0 201.216 1.832 10 0 BDAERO O=c1cc([C@@H]2CCC[NH2+]2)nc(C2CC2)[nH]1 ZINC000107241963 539021025 /nfs/dbraw/zinc/02/10/25/539021025.db2.gz QAWHTULPLGQUIB-QMMMGPOBSA-N 1 0 205.261 1.484 10 0 BDAERO O=c1cccc2n1C[C@@H]1CCC[N@H+]3CCC[C@H]2[C@@H]13 ZINC000145370062 259324715 /nfs/dbraw/zinc/32/47/15/259324715.db2.gz MMCQRJPAMIHLQX-YWPYICTPSA-N 1 0 244.338 1.820 10 0 BDAERO CN(Cc1csc(Br)c1)C(N)=[NH2+] ZINC000042362719 361987090 /nfs/dbraw/zinc/98/70/90/361987090.db2.gz PWOUHKWIVYPFQJ-UHFFFAOYSA-N 1 0 248.149 1.836 10 0 BDAERO C[C@@]1([C@@H]2CCOC2)[NH2+]CCc2occc21 ZINC000709938923 539027670 /nfs/dbraw/zinc/02/76/70/539027670.db2.gz PEBBNWNPSQQIAF-SKDRFNHKSA-N 1 0 207.273 1.677 10 0 BDAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NC1CCCC1)C2 ZINC000709879950 539027778 /nfs/dbraw/zinc/02/77/78/539027778.db2.gz IKKDYAVRZMIKQW-NHCYSSNCSA-N 1 0 237.347 1.450 10 0 BDAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000710415523 539027881 /nfs/dbraw/zinc/02/78/81/539027881.db2.gz GULCKCGZWVGDNC-NSHDSACASA-N 1 0 215.293 1.084 10 0 BDAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ccccc1)C2 ZINC000709838462 539027903 /nfs/dbraw/zinc/02/79/03/539027903.db2.gz BCOZMQVDLFQNHN-MJBXVCDLSA-N 1 0 244.338 1.567 10 0 BDAERO CC1(C)CN(C(=O)NC2CCCC2)C[C@H]1[NH3+] ZINC000388021361 539014649 /nfs/dbraw/zinc/01/46/49/539014649.db2.gz BIKQRIWZDGLHGD-SNVBAGLBSA-N 1 0 225.336 1.308 10 0 BDAERO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007722 398298786 /nfs/dbraw/zinc/29/87/86/398298786.db2.gz OOXKAWJKQWDZKH-CPCISQLKSA-N 1 0 242.269 1.879 10 0 BDAERO C[C@H]1CCC[C@H]([N@H+](C)CC(N)=S)C1 ZINC000042493132 362003255 /nfs/dbraw/zinc/00/32/55/362003255.db2.gz YFKFYQKVHCDOMS-IUCAKERBSA-N 1 0 200.351 1.783 10 0 BDAERO C[C@]1(NC(=[NH2+])NO)CC[N@H+](Cc2ccccc2)C1 ZINC000406093606 342848722 /nfs/dbraw/zinc/84/87/22/342848722.db2.gz DMKYFXGVIQQJSS-ZDUSSCGKSA-N 1 0 248.330 1.154 10 0 BDAERO [NH3+][C@@H]1CSC[C@H]1Cc1nccs1 ZINC000134572864 342869201 /nfs/dbraw/zinc/86/92/01/342869201.db2.gz UBUXAUKSWQXRHF-RNFRBKRXSA-N 1 0 200.332 1.376 10 0 BDAERO [NH3+][C@H]1CSC[C@@H]1Cc1nccs1 ZINC000134572843 342869205 /nfs/dbraw/zinc/86/92/05/342869205.db2.gz UBUXAUKSWQXRHF-BQBZGAKWSA-N 1 0 200.332 1.376 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1sccc1Cl ZINC000308399500 346868654 /nfs/dbraw/zinc/86/86/54/346868654.db2.gz HGYCIJLKYPWARB-POYBYMJQSA-N 1 0 217.721 1.872 10 0 BDAERO C[C@@H]1CC[C@]2(CO1)[NH2+]C(C)(C)CS2 ZINC000401664930 342896948 /nfs/dbraw/zinc/89/69/48/342896948.db2.gz NQKUYODWAXOAQR-SCZZXKLOSA-N 1 0 201.335 1.997 10 0 BDAERO CC(C)(C)OC(=O)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000014657904 342883726 /nfs/dbraw/zinc/88/37/26/342883726.db2.gz KIZBVHDOAPBRLH-MRVPVSSYSA-N 1 0 228.292 1.180 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]CC1(OC)CCC1 ZINC000232999426 342891378 /nfs/dbraw/zinc/89/13/78/342891378.db2.gz CDVWBNFDKGEFAS-GFCCVEGCSA-N 1 0 245.363 1.323 10 0 BDAERO CC[NH2+][C@@H](C)c1cn(CCC(C)C)nn1 ZINC000309101401 342893062 /nfs/dbraw/zinc/89/30/62/342893062.db2.gz JHUXSXXSVFGGHC-JTQLQIEISA-N 1 0 210.325 1.995 10 0 BDAERO [NH3+][C@H]1Cc2c(cc(Cl)cc2Cl)[C@H]1O ZINC000016082903 342905860 /nfs/dbraw/zinc/90/58/60/342905860.db2.gz QBQQEKHSIRVPES-DTWKUNHWSA-N 1 0 218.083 1.910 10 0 BDAERO [NH3+][C@H]1COc2c(cccc2C(F)(F)F)C1 ZINC000016083020 342906100 /nfs/dbraw/zinc/90/61/00/342906100.db2.gz WVRWRERVOAUSMS-SSDOTTSWSA-N 1 0 217.190 1.968 10 0 BDAERO C[C@H]1C[NH2+]C[C@@](F)(c2cscn2)C1 ZINC000401710947 342913617 /nfs/dbraw/zinc/91/36/17/342913617.db2.gz HYYWRHAFKBPBAN-VXNVDRBHSA-N 1 0 200.282 1.937 10 0 BDAERO C[N@H+](CCN1CCCCC1)[C@@H]1CCC[C@@H]1O ZINC000352660408 398323457 /nfs/dbraw/zinc/32/34/57/398323457.db2.gz RPJGGGTYSOMDNA-OLZOCXBDSA-N 1 0 226.364 1.318 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)Cc2ccccc2)C1 ZINC000226596536 342900651 /nfs/dbraw/zinc/90/06/51/342900651.db2.gz LOVOALSPQGDQNE-RYUDHWBXSA-N 1 0 203.285 1.926 10 0 BDAERO CCC(CC)[C@H](C)NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000104443133 168405747 /nfs/dbraw/zinc/40/57/47/168405747.db2.gz NEYWTVFJMBGWIT-ZMLRMANQSA-N 1 0 242.363 1.304 10 0 BDAERO C[NH2+]Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000234383465 342922083 /nfs/dbraw/zinc/92/20/83/342922083.db2.gz DBLQUCJJFBZSHK-GWCFXTLKSA-N 1 0 248.326 1.912 10 0 BDAERO CC(C)([NH3+])CNc1nc(Cl)cs1 ZINC000165339451 342915490 /nfs/dbraw/zinc/91/54/90/342915490.db2.gz JMSNJMQITUPXKU-UHFFFAOYSA-N 1 0 205.714 1.946 10 0 BDAERO CS[C@H]1C[NH2+]C[C@@H]1N(C)C1CCCC1 ZINC000134891101 342918552 /nfs/dbraw/zinc/91/85/52/342918552.db2.gz GUPQBPRWXJEXCP-QWRGUYRKSA-N 1 0 214.378 1.564 10 0 BDAERO CS[C@H]1C[NH2+]C[C@H]1N(C)C1CCCC1 ZINC000134891076 342918588 /nfs/dbraw/zinc/91/85/88/342918588.db2.gz GUPQBPRWXJEXCP-MNOVXSKESA-N 1 0 214.378 1.564 10 0 BDAERO C[C@@H]1CC[S@@](=O)C[C@@H](C2(C)CC2)[NH2+]1 ZINC000228591365 398325061 /nfs/dbraw/zinc/32/50/61/398325061.db2.gz ZBYNFCJFWYTSGY-VYUIOLGVSA-N 1 0 201.335 1.286 10 0 BDAERO [NH3+]Cc1ccc(-c2cnc3[nH]c(=O)[nH]c3c2)cc1 ZINC000116592769 342929618 /nfs/dbraw/zinc/92/96/18/342929618.db2.gz NINTUBXIUULRQV-UHFFFAOYSA-N 1 0 240.266 1.377 10 0 BDAERO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000352014282 536650763 /nfs/dbraw/zinc/65/07/63/536650763.db2.gz MPDHTMPOAZXPBT-RYUDHWBXSA-N 1 0 243.347 1.278 10 0 BDAERO CC[C@@H]([NH2+][C@H](C)CC(N)=O)C(C)(C)C ZINC000308572578 346885300 /nfs/dbraw/zinc/88/53/00/346885300.db2.gz CMIPQPNZYUFBNQ-RKDXNWHRSA-N 1 0 200.326 1.665 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc21 ZINC000037566216 398331852 /nfs/dbraw/zinc/33/18/52/398331852.db2.gz RJUKJKBPORQLHC-WCQYABFASA-N 1 0 232.327 1.570 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)[C@@H](C)CO1 ZINC000037626269 398333291 /nfs/dbraw/zinc/33/32/91/398333291.db2.gz FZFGGHGKGLBMRU-JYBOHDQNSA-N 1 0 240.347 1.140 10 0 BDAERO C[C@H](NC(=O)C1CCC([NH3+])CC1)c1cccnc1 ZINC000037626225 398333305 /nfs/dbraw/zinc/33/33/05/398333305.db2.gz ABZCONWJEFFZSE-ZBOXLXRLSA-N 1 0 247.342 1.776 10 0 BDAERO CC(C)[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037481906 342937964 /nfs/dbraw/zinc/93/79/64/342937964.db2.gz NUJMEQNVORDPRM-WHXUTIOJSA-N 1 0 212.337 1.665 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccccn1 ZINC000175346750 346894631 /nfs/dbraw/zinc/89/46/31/346894631.db2.gz RQUVBXIJDKKMPB-AWEZNQCLSA-N 1 0 233.359 1.998 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2nc3ccccc3[nH]2)C1 ZINC000134936479 398341957 /nfs/dbraw/zinc/34/19/57/398341957.db2.gz JLQADXYWOMCVFN-JTQLQIEISA-N 1 0 230.315 1.703 10 0 BDAERO COC(=O)[C@@]1([NH3+])CC[C@@H](C(F)(F)F)CC1 ZINC000117188260 342948980 /nfs/dbraw/zinc/94/89/80/342948980.db2.gz RVFCAFRNSRLNJL-FKQCQYRASA-N 1 0 225.210 1.609 10 0 BDAERO [NH3+][C@H]1Cc2cc(Br)ccc2[C@H]1O ZINC000019795423 342957753 /nfs/dbraw/zinc/95/77/53/342957753.db2.gz LHUASDLWWNPVHS-DTWKUNHWSA-N 1 0 228.089 1.366 10 0 BDAERO Cc1ccc2c(c1)[C@H]1C[NH2+]CCN1CC2 ZINC000019788453 342957792 /nfs/dbraw/zinc/95/77/92/342957792.db2.gz FDXPQWZCSJTZGR-CYBMUJFWSA-N 1 0 202.301 1.497 10 0 BDAERO CC[C@@H](CO)[NH2+][C@H]1CCC[C@H]1CCF ZINC000308598704 529515345 /nfs/dbraw/zinc/51/53/45/529515345.db2.gz NNWJUWZBADHPFX-DCAQKATOSA-N 1 0 203.301 1.875 10 0 BDAERO COC(=O)Cn1ccc2c1cccc2C(N)=[NH2+] ZINC000020220556 342977593 /nfs/dbraw/zinc/97/75/93/342977593.db2.gz RTFQMYOGAOOLTE-UHFFFAOYSA-N 1 0 231.255 1.098 10 0 BDAERO c1csc(C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000019946275 342963933 /nfs/dbraw/zinc/96/39/33/342963933.db2.gz BYGMRKAUFUVEMG-LBPRGKRZSA-N 1 0 222.357 1.932 10 0 BDAERO c1csc(-c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000019946860 342964300 /nfs/dbraw/zinc/96/43/00/342964300.db2.gz GYALGZMNFZKMBG-UHFFFAOYSA-N 1 0 205.286 1.784 10 0 BDAERO Cc1ccc(C)c(C[C@@]2(O)CCC[NH2+]C2)c1 ZINC000071521514 178476838 /nfs/dbraw/zinc/47/68/38/178476838.db2.gz XNMMDPYZRQFCQF-AWEZNQCLSA-N 1 0 219.328 1.960 10 0 BDAERO Cc1cccnc1C[C@@H](O)C1CC[NH2+]CC1 ZINC000167725011 346910986 /nfs/dbraw/zinc/91/09/86/346910986.db2.gz GONBHAFDZBBMFN-CYBMUJFWSA-N 1 0 220.316 1.293 10 0 BDAERO [NH3+][C@H](c1ccccc1)[C@@H](O)C(F)(F)F ZINC000020281448 342980427 /nfs/dbraw/zinc/98/04/27/342980427.db2.gz GFSZBXASMXIZSV-HTQZYQBOSA-N 1 0 205.179 1.610 10 0 BDAERO Clc1csc(OC[C@@H]2CCC[NH2+]2)n1 ZINC000165378209 342983976 /nfs/dbraw/zinc/98/39/76/342983976.db2.gz YRWYRGAYAJMIAY-LURJTMIESA-N 1 0 218.709 1.927 10 0 BDAERO OC[C@H]1CSCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000335902065 136259543 /nfs/dbraw/zinc/25/95/43/136259543.db2.gz VRSKNRBGTIUDTI-STQMWFEESA-N 1 0 249.379 1.736 10 0 BDAERO CC(C)(C)OC(=O)C1(C[NH3+])CCOCC1 ZINC000117674018 187220426 /nfs/dbraw/zinc/22/04/26/187220426.db2.gz ZWVAIIHLJHYVSB-UHFFFAOYSA-N 1 0 215.293 1.084 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@@H]1CCCCO1 ZINC000224097804 488196001 /nfs/dbraw/zinc/19/60/01/488196001.db2.gz FVINCSZDSUPKCU-NWDGAFQWSA-N 1 0 242.363 1.435 10 0 BDAERO CC(C)N(C)C[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309211234 259342107 /nfs/dbraw/zinc/34/21/07/259342107.db2.gz HDWXJQYUNSIHCY-VXGBXAGGSA-N 1 0 230.396 1.712 10 0 BDAERO Nc1cccc2c1cnn2CC[NH+]1CCCC1 ZINC000021994723 343032756 /nfs/dbraw/zinc/03/27/56/343032756.db2.gz ICTBJQFRVQXRQS-UHFFFAOYSA-N 1 0 230.315 1.714 10 0 BDAERO CCN(C(=O)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000309486219 259343206 /nfs/dbraw/zinc/34/32/06/259343206.db2.gz GMEVLCYUYRWWEV-LLVKDONJSA-N 1 0 210.321 1.387 10 0 BDAERO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000304264849 187225152 /nfs/dbraw/zinc/22/51/52/187225152.db2.gz UPTDIBIHXFIUKW-NWDGAFQWSA-N 1 0 229.364 1.630 10 0 BDAERO COc1cccnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000384136889 343053199 /nfs/dbraw/zinc/05/31/99/343053199.db2.gz LSDAVBXJRZTJPQ-MNOVXSKESA-N 1 0 233.315 1.278 10 0 BDAERO C[C@H]([NH3+])[C@@H](N1CCSCC1)C(F)(F)F ZINC000043376803 343059713 /nfs/dbraw/zinc/05/97/13/343059713.db2.gz TUNOLJAZEYNSHI-NKWVEPMBSA-N 1 0 228.283 1.313 10 0 BDAERO [NH3+][C@H](CO)c1cc(F)ccc1C(F)(F)F ZINC000072198453 343068973 /nfs/dbraw/zinc/06/89/73/343068973.db2.gz HYKDTCPTDBMOIM-MRVPVSSYSA-N 1 0 223.169 1.837 10 0 BDAERO N[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1F ZINC000072201029 343069467 /nfs/dbraw/zinc/06/94/67/343069467.db2.gz VTABJHFRRLQOTQ-MRVPVSSYSA-N 1 0 222.185 1.803 10 0 BDAERO Cc1ccc(C)c(OCC[C@](C)(O)C[NH3+])c1 ZINC000019668283 178490124 /nfs/dbraw/zinc/49/01/24/178490124.db2.gz ZQLUXPZICPBVHZ-ZDUSSCGKSA-N 1 0 223.316 1.782 10 0 BDAERO CN1CC[C@H](NC2=[NH+]C(C)(C)CS2)C1 ZINC000042548592 362006321 /nfs/dbraw/zinc/00/63/21/362006321.db2.gz RZWCLNYABZHVKR-QMMMGPOBSA-N 1 0 213.350 1.162 10 0 BDAERO CCCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246661260 362018173 /nfs/dbraw/zinc/01/81/73/362018173.db2.gz HDLBSUYORSGNOE-NEPJUHHUSA-N 1 0 242.363 1.090 10 0 BDAERO C[C@@H]1C[C@@H](C)CN(c2cc3c(nn2)CC[NH2+]C3)C1 ZINC000584881717 343082675 /nfs/dbraw/zinc/08/26/75/343082675.db2.gz NRTVZKQTEDULAK-GHMZBOCLSA-N 1 0 246.358 1.605 10 0 BDAERO COc1cc(C)c2[nH+]cc(N)c(N)c2c1 ZINC000584882420 343084625 /nfs/dbraw/zinc/08/46/25/343084625.db2.gz GQJBZDZTBOEINA-UHFFFAOYSA-N 1 0 203.245 1.716 10 0 BDAERO CC(C)[NH2+]C[C@H](O)C[C@@](C)(O)C1CCC1 ZINC000584883021 343085762 /nfs/dbraw/zinc/08/57/62/343085762.db2.gz DVKYAKQGSMTWNZ-VXGBXAGGSA-N 1 0 215.337 1.287 10 0 BDAERO CC[C@@](O)(C[C@H](O)C[NH2+]C)C(C)(C)C ZINC000584883012 343085908 /nfs/dbraw/zinc/08/59/08/343085908.db2.gz DSPXOHGARNAUMG-GXSJLCMTSA-N 1 0 203.326 1.144 10 0 BDAERO Cn1cc(SC[C@@H]2CCCC[NH2+]2)cn1 ZINC000043495595 343091806 /nfs/dbraw/zinc/09/18/06/343091806.db2.gz IFRFQTAUVDBNMF-VIFPVBQESA-N 1 0 211.334 1.654 10 0 BDAERO [NH3+][C@@H]1c2ccc(Br)cc2C[C@H]1CO ZINC000127936498 343075505 /nfs/dbraw/zinc/07/55/05/343075505.db2.gz AQVATOMCWFABCU-XVKPBYJWSA-N 1 0 242.116 1.614 10 0 BDAERO CC(=O)NCCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116289063 187230311 /nfs/dbraw/zinc/23/03/11/187230311.db2.gz DHBOPOFLEXCGDJ-LBPRGKRZSA-N 1 0 236.315 1.943 10 0 BDAERO C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)C1OCCO1 ZINC000123833281 187231582 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/nfs/dbraw/zinc/11/70/41/343117041.db2.gz IBYGLRKVWBQZCD-WDEREUQCSA-N 1 0 220.316 1.514 10 0 BDAERO BrC1=C[C@H]2C[NH2+]CC[C@H]2S1 ZINC000029039138 343135941 /nfs/dbraw/zinc/13/59/41/343135941.db2.gz QFGHRQSIHKQGPZ-NTSWFWBYSA-N 1 0 220.135 1.948 10 0 BDAERO Cc1nccc(CNC[C@H](C)C[NH+]2CCCC2)n1 ZINC000062079020 136272005 /nfs/dbraw/zinc/27/20/05/136272005.db2.gz SDBLDAYAUQMJON-LBPRGKRZSA-N 1 0 248.374 1.607 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC(F)(F)F ZINC000133692991 343185898 /nfs/dbraw/zinc/18/58/98/343185898.db2.gz FESSARKLERZBJE-RNFRBKRXSA-N 1 0 224.226 1.277 10 0 BDAERO Cc1nnc(NC(=O)C[C@H]2CCC[NH2+]C2)s1 ZINC000129910261 343179507 /nfs/dbraw/zinc/17/95/07/343179507.db2.gz GXPSDXJMWDXKQX-MRVPVSSYSA-N 1 0 240.332 1.175 10 0 BDAERO c1cnc2nc(NC[C@@H]3CCC[NH2+]C3)ccc2n1 ZINC000094726300 343156553 /nfs/dbraw/zinc/15/65/53/343156553.db2.gz GSVHFUZBFVWHMV-SNVBAGLBSA-N 1 0 243.314 1.436 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@]1(OC)CCOC1 ZINC000638696971 352535275 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343202299 /nfs/dbraw/zinc/20/22/99/343202299.db2.gz FUNFXMYSPRXNRW-OLZOCXBDSA-N 1 0 238.375 1.881 10 0 BDAERO C[C@H]([NH3+])COc1cccc2ncccc21 ZINC000165821533 343235073 /nfs/dbraw/zinc/23/50/73/343235073.db2.gz FLSHPIMNTPIGAK-VIFPVBQESA-N 1 0 202.257 1.961 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@H+](CCCF)CC2 ZINC000088026835 136283776 /nfs/dbraw/zinc/28/37/76/136283776.db2.gz QGQMOTSMWZKBAQ-RYUDHWBXSA-N 1 0 215.312 1.973 10 0 BDAERO CC(C)(C)[C@H]([NH3+])c1nnc2ncccn21 ZINC000036827893 187249384 /nfs/dbraw/zinc/24/93/84/187249384.db2.gz BURKEMXTMOIEMM-SSDOTTSWSA-N 1 0 205.265 1.170 10 0 BDAERO COc1ccc(CN2C[C@@H](C[NH3+])CC2=O)cc1 ZINC000019669342 187252569 /nfs/dbraw/zinc/25/25/69/187252569.db2.gz IORQWLIXOGTZBM-LLVKDONJSA-N 1 0 234.299 1.002 10 0 BDAERO Cc1cnc(C)c(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000273871977 187337062 /nfs/dbraw/zinc/33/70/62/187337062.db2.gz OQROUVJQFAJKHG-LLVKDONJSA-N 1 0 220.320 1.234 10 0 BDAERO Cc1ccc(C)c2c1[C@H]([NH3+])CC[S@]2=O ZINC000040974317 178507662 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WDNZJEQNQQHBDZ-LURJTMIESA-N 1 0 200.311 1.250 10 0 BDAERO [NH3+][C@H](CCO)c1sccc1Br ZINC000044233143 343495820 /nfs/dbraw/zinc/49/58/20/343495820.db2.gz CUMWMSBCEWSCFP-ZCFIWIBFSA-N 1 0 236.134 1.893 10 0 BDAERO [NH3+][C@H](CCO)c1cc(F)ccc1Cl ZINC000044235913 343496027 /nfs/dbraw/zinc/49/60/27/343496027.db2.gz ODACQZHPKNKTHJ-SECBINFHSA-N 1 0 203.644 1.861 10 0 BDAERO CSCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000082725511 343461306 /nfs/dbraw/zinc/46/13/06/343461306.db2.gz LZFQTGPPRILSME-VXGBXAGGSA-N 1 0 228.405 1.908 10 0 BDAERO COc1ccc([C@@H]([NH2+]C2CCCC2)C(N)=O)cc1 ZINC000037968962 187262339 /nfs/dbraw/zinc/26/23/39/187262339.db2.gz QBRRJFPBAJFUFL-CYBMUJFWSA-N 1 0 248.326 1.754 10 0 BDAERO CC(C)N(CCCO)C(=O)C1CCC([NH3+])CC1 ZINC000038099603 187262528 /nfs/dbraw/zinc/26/25/28/187262528.db2.gz ZRDRVOADGUJRFW-UHFFFAOYSA-N 1 0 242.363 1.123 10 0 BDAERO CCN1c2ccccc2NC[C@@H]1CC[NH3+] ZINC000616584287 343516280 /nfs/dbraw/zinc/51/62/80/343516280.db2.gz KMALIZHMSDQZDO-JTQLQIEISA-N 1 0 205.305 1.656 10 0 BDAERO [NH3+]CCN1CCCC[C@@H](c2ncccn2)C1 ZINC000616627462 343525745 /nfs/dbraw/zinc/52/57/45/343525745.db2.gz FYJAVOMNYDZNCQ-LLVKDONJSA-N 1 0 220.320 1.005 10 0 BDAERO C[NH2+][C@H]1CN(Cc2ccccc2)CCCO1 ZINC000616650931 343531034 /nfs/dbraw/zinc/53/10/34/343531034.db2.gz HCAHOWCNVBQPBA-CYBMUJFWSA-N 1 0 220.316 1.454 10 0 BDAERO N[C@H]([C@@H]([NH3+])Cc1ccccc1)C(F)(F)F ZINC000047845224 343566968 /nfs/dbraw/zinc/56/69/68/343566968.db2.gz QVVAVUSJVMSJQJ-DTWKUNHWSA-N 1 0 218.222 1.446 10 0 BDAERO C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251105265 343567187 /nfs/dbraw/zinc/56/71/87/343567187.db2.gz NXYLMCFVUGFXNN-MMWGEVLESA-N 1 0 210.321 1.099 10 0 BDAERO Cc1nc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cs1 ZINC000624238056 343584070 /nfs/dbraw/zinc/58/40/70/343584070.db2.gz JGWZYSWHUTYMSR-ARENWVFISA-N 1 0 242.344 1.252 10 0 BDAERO CC(C)CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)C1CC1 ZINC000624238701 343586487 /nfs/dbraw/zinc/58/64/87/343586487.db2.gz WXHZZWSABARMQD-MELADBBJSA-N 1 0 241.375 1.941 10 0 BDAERO CC(C)CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)C1CC1 ZINC000624238700 343586588 /nfs/dbraw/zinc/58/65/88/343586588.db2.gz WXHZZWSABARMQD-IHRRRGAJSA-N 1 0 241.375 1.941 10 0 BDAERO c1cc2c(s1)[C@@]1(CC[N@H+]3CCC[C@H]31)NCC2 ZINC000712513190 537788232 /nfs/dbraw/zinc/78/82/32/537788232.db2.gz QBBAOHYQNPOFLW-AAEUAGOBSA-N 1 0 234.368 1.957 10 0 BDAERO CC(C)[C@@H](N)c1nc(-c2cscn2)no1 ZINC000083322006 187266858 /nfs/dbraw/zinc/26/68/58/187266858.db2.gz KKICKAYEKDUXLM-SSDOTTSWSA-N 1 0 224.289 1.849 10 0 BDAERO CC(C)N(CCCO)C(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000042526368 187265773 /nfs/dbraw/zinc/26/57/73/187265773.db2.gz VDMOXCNIPIEVOV-NWDGAFQWSA-N 1 0 242.363 1.136 10 0 BDAERO CC(C)[C@H](C[NH3+])N1CCOCC1(C)C ZINC000042461423 187265835 /nfs/dbraw/zinc/26/58/35/187265835.db2.gz AXRNFOKXAXAVLK-JTQLQIEISA-N 1 0 200.326 1.081 10 0 BDAERO CC(C)N(CC[NH3+])C(=O)c1cccc(N(C)C)c1 ZINC000041160445 187264522 /nfs/dbraw/zinc/26/45/22/187264522.db2.gz AIHQFBYKWCOGOH-UHFFFAOYSA-N 1 0 249.358 1.562 10 0 BDAERO CC1(C)CC[N@@H+]([C@@H]2CCC[C@H]2O)CC[S@@]1=O ZINC000321868588 343620583 /nfs/dbraw/zinc/62/05/83/343620583.db2.gz OCDWNWVETSKBNF-UVWXRNBGSA-N 1 0 245.388 1.133 10 0 BDAERO Cn1cnnc1SCCCCC[NH3+] ZINC000049582418 343603979 /nfs/dbraw/zinc/60/39/79/343603979.db2.gz MIAIYCRHUXUOKC-UHFFFAOYSA-N 1 0 200.311 1.036 10 0 BDAERO c1cc2c(s1)[C@@]1(CCN(C3CC3)C1)[NH2+]CC2 ZINC000712536978 537789657 /nfs/dbraw/zinc/78/96/57/537789657.db2.gz QZZNYQSSXLUMEF-ZDUSSCGKSA-N 1 0 234.368 1.957 10 0 BDAERO CN(C)C(=O)C[C@H]1[NH2+]CCc2ccsc21 ZINC000712516081 537790349 /nfs/dbraw/zinc/79/03/49/537790349.db2.gz RHFLGHUWRGQQID-SECBINFHSA-N 1 0 224.329 1.413 10 0 BDAERO CCCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087121666 343637798 /nfs/dbraw/zinc/63/77/98/343637798.db2.gz MILPYWQPXALSGI-QWRGUYRKSA-N 1 0 212.337 1.681 10 0 BDAERO COc1cc(N[C@@H](C)CCC[NH3+])ncn1 ZINC000087362289 343645493 /nfs/dbraw/zinc/64/54/93/343645493.db2.gz GERUIRZPKTYZJQ-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BDAERO C[C@@H](CCC[NH3+])Nc1nc(C2CC2)ns1 ZINC000087362241 343645500 /nfs/dbraw/zinc/64/55/00/343645500.db2.gz KDCFHWJJQNGQMR-ZETCQYMHSA-N 1 0 226.349 1.955 10 0 BDAERO CCCCNC(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000227619478 537795355 /nfs/dbraw/zinc/79/53/55/537795355.db2.gz CVSUWCYUWWIYNT-UWVGGRQHSA-N 1 0 213.325 1.213 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1cccnc1 ZINC000054685544 343690791 /nfs/dbraw/zinc/69/07/91/343690791.db2.gz LOFZGBLIVGSZRQ-KBPBESRZSA-N 1 0 228.295 1.685 10 0 BDAERO CC(C)C[C@@H](C[NH3+])N(C)CCc1ccncc1 ZINC000048259896 187269798 /nfs/dbraw/zinc/26/97/98/187269798.db2.gz BBDBBBDPKRRXOG-AWEZNQCLSA-N 1 0 235.375 1.929 10 0 BDAERO C[NH2+][C@@H]1CCN(CCc2cccnc2)[C@H](C)C1 ZINC000049712945 187270200 /nfs/dbraw/zinc/27/02/00/187270200.db2.gz TXTVWPZNKBWFNR-TZMCWYRMSA-N 1 0 233.359 1.696 10 0 BDAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)n1ccnc1 ZINC000049559473 187270375 /nfs/dbraw/zinc/27/03/75/187270375.db2.gz KONOWAUWLDMMNC-NSHDSACASA-N 1 0 238.335 1.417 10 0 BDAERO Cc1nccn1CC[NH2+][C@@H](C)CN1CCCC1 ZINC000049330435 187270405 /nfs/dbraw/zinc/27/04/05/187270405.db2.gz IKCVBAYENFLBCY-LBPRGKRZSA-N 1 0 236.363 1.265 10 0 BDAERO c1ccc2ncc([C@H]3C[NH2+]CCN3)cc2c1 ZINC000309553140 343745409 /nfs/dbraw/zinc/74/54/09/343745409.db2.gz MHVKLECSFPXGFC-CYBMUJFWSA-N 1 0 213.284 1.469 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCSC1 ZINC000405262387 343742261 /nfs/dbraw/zinc/74/22/61/343742261.db2.gz NWGHQPQWGZAPRQ-OPRDCNLKSA-N 1 0 201.335 1.364 10 0 BDAERO Cc1ccc(CNC(=O)c2ccc(C[NH3+])cc2)o1 ZINC000053035545 187271117 /nfs/dbraw/zinc/27/11/17/187271117.db2.gz JFBNHURIVGDFDC-UHFFFAOYSA-N 1 0 244.294 1.977 10 0 BDAERO Clc1cncc(OC[C@H]2CCC[NH2+]2)c1 ZINC000004631252 343718271 /nfs/dbraw/zinc/71/82/71/343718271.db2.gz XBFQGMODEPSQFZ-SECBINFHSA-N 1 0 212.680 1.866 10 0 BDAERO Cc1ccc(N)c(C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000053005528 187271351 /nfs/dbraw/zinc/27/13/51/187271351.db2.gz DPJAEEBUGZHHEL-UHFFFAOYSA-N 1 0 249.358 1.647 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)CSC ZINC000187885135 259370261 /nfs/dbraw/zinc/37/02/61/259370261.db2.gz MGCHUXBRAOWXIT-NEPJUHHUSA-N 1 0 246.420 1.126 10 0 BDAERO Cc1ccc(C)c(CC(=O)N[C@H]2C[C@@H]2[NH3+])c1 ZINC000053144875 187271479 /nfs/dbraw/zinc/27/14/79/187271479.db2.gz XLWIBBITEAFQJP-RYUDHWBXSA-N 1 0 218.300 1.062 10 0 BDAERO CC[C@@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090223835 343750341 /nfs/dbraw/zinc/75/03/41/343750341.db2.gz NYZJGWKYOZQSKM-SCZZXKLOSA-N 1 0 208.309 1.810 10 0 BDAERO CC[C@@H]([NH2+]C[C@]1(O)CCOC1)C(C)(C)C ZINC000309091412 346963898 /nfs/dbraw/zinc/96/38/98/346963898.db2.gz CGFSGWNLJFVDNZ-ZYHUDNBSSA-N 1 0 215.337 1.552 10 0 BDAERO CC(C)[C@H](C[NH2+]C[C@H]1CCCCN1C)N(C)C ZINC000054240294 187271826 /nfs/dbraw/zinc/27/18/26/187271826.db2.gz KCZFIPFRVMPFHJ-KGLIPLIRSA-N 1 0 241.423 1.647 10 0 BDAERO O=c1cc(C2CC2)[n-]n1[C@@H]1CCC[NH2+]C1 ZINC000106844073 343785496 /nfs/dbraw/zinc/78/54/96/343785496.db2.gz GTCZDMSXAPENHH-SECBINFHSA-N 1 0 207.277 1.391 10 0 BDAERO CNc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000127964551 343787549 /nfs/dbraw/zinc/78/75/49/343787549.db2.gz KZDNSHQZLXFOPK-DTORHVGOSA-N 1 0 236.319 1.440 10 0 BDAERO [NH3+]CCc1cnn(CCc2ccccc2)c1 ZINC000054740833 343789458 /nfs/dbraw/zinc/78/94/58/343789458.db2.gz GYJQXIKCTPUQFD-UHFFFAOYSA-N 1 0 215.300 1.627 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1C[C@H]2[C@H](CCC2(F)F)C1 ZINC000409427204 343800018 /nfs/dbraw/zinc/80/00/18/343800018.db2.gz KAIZISZUXBWKJH-BBBLOLIVSA-N 1 0 244.285 1.100 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@H]2CF)cc1 ZINC000409422904 343814300 /nfs/dbraw/zinc/81/43/00/343814300.db2.gz MBTFJWPNHRSPBP-JQWIXIFHSA-N 1 0 209.264 1.968 10 0 BDAERO C[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409423729 343815669 /nfs/dbraw/zinc/81/56/69/343815669.db2.gz AIGGJANGYDBPEA-XHNCKOQMSA-N 1 0 232.274 1.227 10 0 BDAERO [NH3+]CCn1c(=O)c2cccn2c2ccccc21 ZINC000409423951 343816861 /nfs/dbraw/zinc/81/68/61/343816861.db2.gz WKTCZKKTHYFEOD-UHFFFAOYSA-N 1 0 227.267 1.213 10 0 BDAERO CC(F)(F)C1CCN(CC(=[NH2+])NO)CC1 ZINC000409425253 343818805 /nfs/dbraw/zinc/81/88/05/343818805.db2.gz FPAGXUPPIWNWRI-UHFFFAOYSA-N 1 0 221.251 1.310 10 0 BDAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@H](C(F)F)C1 ZINC000409425448 343819174 /nfs/dbraw/zinc/81/91/74/343819174.db2.gz FWVVXMDLGBGZQS-DTWKUNHWSA-N 1 0 232.274 1.242 10 0 BDAERO CCOC[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000409425494 343819725 /nfs/dbraw/zinc/81/97/25/343819725.db2.gz GEWPEUYMYCYNNJ-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@@H]1CCCCN1c1ccnc(NCC[NH3+])n1 ZINC000409425725 343820396 /nfs/dbraw/zinc/82/03/96/343820396.db2.gz BCYQEEHLTFNLPX-SNVBAGLBSA-N 1 0 235.335 1.226 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC[C@H](C(F)F)C1 ZINC000409426184 343821969 /nfs/dbraw/zinc/82/19/69/343821969.db2.gz HTRMNDZIZPCFOX-BDAKNGLRSA-N 1 0 232.274 1.100 10 0 BDAERO Cc1nc(NCC(C)C)cc(OCC[NH3+])n1 ZINC000409431312 343822420 /nfs/dbraw/zinc/82/24/20/343822420.db2.gz NRATVURWNAVLRN-UHFFFAOYSA-N 1 0 224.308 1.190 10 0 BDAERO [NH3+]CCOc1cc(NC2CC2)nc(C2CC2)n1 ZINC000409431372 343822846 /nfs/dbraw/zinc/82/28/46/343822846.db2.gz QBMBHMVAPOSHTE-UHFFFAOYSA-N 1 0 234.303 1.266 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C[NH3+])C1 ZINC000409431631 343824189 /nfs/dbraw/zinc/82/41/89/343824189.db2.gz ROCVLKAYBDLJMG-SKDRFNHKSA-N 1 0 226.320 1.592 10 0 BDAERO CN(Cc1ccccc1)[C@H](C[NH3+])[C@@H]1CCCO1 ZINC000128590089 349871409 /nfs/dbraw/zinc/87/14/09/349871409.db2.gz PFQYGIUWCFMNRW-KGLIPLIRSA-N 1 0 234.343 1.625 10 0 BDAERO CC(C)c1ccnc(CN2CC[NH2+]CC2)n1 ZINC000070996344 187275634 /nfs/dbraw/zinc/27/56/34/187275634.db2.gz HSMZGRBDOGWRIU-UHFFFAOYSA-N 1 0 220.320 1.005 10 0 BDAERO c1coc(C[NH2+]Cc2ccc3n[nH]nc3c2)c1 ZINC000071402127 187275672 /nfs/dbraw/zinc/27/56/72/187275672.db2.gz OEDHINFRFDKQTM-UHFFFAOYSA-N 1 0 228.255 1.841 10 0 BDAERO Cc1ccc([C@H](C[NH3+])c2ccccc2)nn1 ZINC000409429289 343805125 /nfs/dbraw/zinc/80/51/25/343805125.db2.gz IYSKLLGKZMVSKL-GFCCVEGCSA-N 1 0 213.284 1.876 10 0 BDAERO CC(=O)CCCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062981497 187274182 /nfs/dbraw/zinc/27/41/82/187274182.db2.gz QINOBRFEHKGQBA-CQSZACIVSA-N 1 0 238.375 1.916 10 0 BDAERO CC(F)(F)[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000409430259 343807670 /nfs/dbraw/zinc/80/76/70/343807670.db2.gz QFRQNCUUQWNVBJ-ZJUUUORDSA-N 1 0 246.301 1.490 10 0 BDAERO CC(F)(F)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000409430255 343807752 /nfs/dbraw/zinc/80/77/52/343807752.db2.gz QFRQNCUUQWNVBJ-NXEZZACHSA-N 1 0 246.301 1.490 10 0 BDAERO O=C(C1CC[NH2+]CC1)N1CCC[C@@H](C(F)F)C1 ZINC000409430369 343808130 /nfs/dbraw/zinc/80/81/30/343808130.db2.gz QNEUPLNHAXMHQK-SNVBAGLBSA-N 1 0 246.301 1.490 10 0 BDAERO CCOC[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000409432741 343827434 /nfs/dbraw/zinc/82/74/34/343827434.db2.gz WHMRVQRYSUGWQL-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO C[NH2+]Cc1cnn(-c2ccc(OC)cc2)c1C ZINC000062986682 187274303 /nfs/dbraw/zinc/27/43/03/187274303.db2.gz QDNOSHXOGGEENF-UHFFFAOYSA-N 1 0 231.299 1.909 10 0 BDAERO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000336658159 537819871 /nfs/dbraw/zinc/81/98/71/537819871.db2.gz IOEQGOXPIFHICF-RWMBFGLXSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@H](n1nccc1NC(=O)C[NH3+])C(C)(C)C ZINC000400583870 343810987 /nfs/dbraw/zinc/81/09/87/343810987.db2.gz UZVQPKQCQJPTIZ-QMMMGPOBSA-N 1 0 224.308 1.387 10 0 BDAERO [NH3+]CCn1nc(-c2ccsc2)c2c1CCOC2 ZINC000409439986 343853974 /nfs/dbraw/zinc/85/39/74/343853974.db2.gz RCNLBQBZAIXLBK-UHFFFAOYSA-N 1 0 249.339 1.643 10 0 BDAERO N[C@@H](c1ccccc1C[NH3+])C(F)(F)F ZINC000072191417 187276984 /nfs/dbraw/zinc/27/69/84/187276984.db2.gz BXFXNLBGSDBWPN-QMMMGPOBSA-N 1 0 204.195 1.707 10 0 BDAERO Clc1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC000209508649 349879127 /nfs/dbraw/zinc/87/91/27/349879127.db2.gz YNMSJFWIHTXHQD-SCZZXKLOSA-N 1 0 223.707 1.533 10 0 BDAERO Nc1cc(C2CCC2)nn1C[C@H]1CCCC[NH2+]1 ZINC000409441128 343854881 /nfs/dbraw/zinc/85/48/81/343854881.db2.gz WPAACZFZWKJMIV-LLVKDONJSA-N 1 0 234.347 1.875 10 0 BDAERO COc1ccc([C@@](C)(O)[C@H]2CCC[NH2+]C2)cc1 ZINC000071545680 187275863 /nfs/dbraw/zinc/27/58/63/187275863.db2.gz MXNSCODUBJKFGX-GXTWGEPZSA-N 1 0 235.327 1.902 10 0 BDAERO COCc1ccc2c(c1)N(C(=O)CC[NH3+])CC2 ZINC000409436327 343838735 /nfs/dbraw/zinc/83/87/35/343838735.db2.gz ZHKIJNGNHMBWDZ-UHFFFAOYSA-N 1 0 234.299 1.071 10 0 BDAERO CNc1cc(-c2ccc(C[NH3+])cc2)nc(N)n1 ZINC000209419202 343839277 /nfs/dbraw/zinc/83/92/77/343839277.db2.gz KEMMMWFUYNLPFU-UHFFFAOYSA-N 1 0 229.287 1.226 10 0 BDAERO O=C1CCCN1C1CC[NH+](C2CCC2)CC1 ZINC000179570385 346988992 /nfs/dbraw/zinc/98/89/92/346988992.db2.gz XDTVBWHVBUUGMD-UHFFFAOYSA-N 1 0 222.332 1.626 10 0 BDAERO NC(=[NH2+])Cn1nc(-c2cccs2)cc1N ZINC000409436849 343841134 /nfs/dbraw/zinc/84/11/34/343841134.db2.gz BJTRSMJVHQFZGN-UHFFFAOYSA-N 1 0 221.289 1.130 10 0 BDAERO CCn1cc(CC(N)=[NH2+])c(-c2cccnc2)n1 ZINC000409436903 343841171 /nfs/dbraw/zinc/84/11/71/343841171.db2.gz CEDJAGYPYTYPQP-UHFFFAOYSA-N 1 0 229.287 1.443 10 0 BDAERO Cn1cccc1[C@H](C(=N)NO)n1cccc1 ZINC000409437639 343842642 /nfs/dbraw/zinc/84/26/42/343842642.db2.gz AMNMUCMVDOJWJS-SNVBAGLBSA-N 1 0 218.260 1.372 10 0 BDAERO CCn1cc(CC[NH2+]C)c(C(F)(F)F)n1 ZINC000409438512 343844289 /nfs/dbraw/zinc/84/42/89/343844289.db2.gz LSDSGAWBEXWLKM-UHFFFAOYSA-N 1 0 221.226 1.684 10 0 BDAERO CC(C)(C)c1cc(N)n(C[C@H]2CCCC[NH2+]2)n1 ZINC000409439601 343847844 /nfs/dbraw/zinc/84/78/44/343847844.db2.gz PVQVIGWJMYEUFY-SNVBAGLBSA-N 1 0 236.363 1.905 10 0 BDAERO C[C@@H]1CCCN(c2cncc(C[NH3+])c2)C1 ZINC000409437711 343848374 /nfs/dbraw/zinc/84/83/74/343848374.db2.gz AWTZHBFWSXOKMV-SNVBAGLBSA-N 1 0 205.305 1.777 10 0 BDAERO CC(C)c1[nH]nc(C2CCOCC2)c1C[NH3+] ZINC000409437818 343848999 /nfs/dbraw/zinc/84/89/99/343848999.db2.gz AGMCQCJTCYJAEE-UHFFFAOYSA-N 1 0 223.320 1.886 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1c1noc(-c2ccco2)n1 ZINC000409440238 343851482 /nfs/dbraw/zinc/85/14/82/343851482.db2.gz KDEMVECFULJTCU-JGVFFNPUSA-N 1 0 219.244 1.924 10 0 BDAERO C[C@@H]1CC(C[NH2+][C@H]2CCCOC2)C[C@@H](C)O1 ZINC000336733218 537832398 /nfs/dbraw/zinc/83/23/98/537832398.db2.gz GIUDFYZFZIBJRP-WZRBSPASSA-N 1 0 227.348 1.959 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H]1NCc1ccccc1 ZINC000409442625 343858375 /nfs/dbraw/zinc/85/83/75/343858375.db2.gz YGVOCONEHPTSEX-STQMWFEESA-N 1 0 204.317 1.917 10 0 BDAERO CCn1nc(-c2cnccn2)cc1C[NH2+]C ZINC000409442889 343864982 /nfs/dbraw/zinc/86/49/82/343864982.db2.gz CORANSTUIBUMMJ-UHFFFAOYSA-N 1 0 217.276 1.079 10 0 BDAERO CCn1nc([C@@H]2CCC[NH2+]C2)cc1C(=O)OC ZINC000409443031 343865451 /nfs/dbraw/zinc/86/54/51/343865451.db2.gz FSIOLVNVRUOZOA-SECBINFHSA-N 1 0 237.303 1.157 10 0 BDAERO CO[C@H](C[NH3+])c1nc2cccnc2s1 ZINC000227296468 343871436 /nfs/dbraw/zinc/87/14/36/343871436.db2.gz YIDNHSLZZQLURB-SSDOTTSWSA-N 1 0 209.274 1.338 10 0 BDAERO CNC(=[NH2+])[C@@H]1CSc2ccccc2O1 ZINC000234350316 343943530 /nfs/dbraw/zinc/94/35/30/343943530.db2.gz WHSUJGJCBOSVTR-QMMMGPOBSA-N 1 0 208.286 1.736 10 0 BDAERO CC(C)C[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000076608432 187279531 /nfs/dbraw/zinc/27/95/31/187279531.db2.gz GMELDWHIXVUFOF-SNVBAGLBSA-N 1 0 214.353 1.912 10 0 BDAERO CC(C)([NH3+])c1cn(CCOCC2CCC2)nn1 ZINC000641180069 362256061 /nfs/dbraw/zinc/25/60/61/362256061.db2.gz ZOAQBPQJRTXUFG-UHFFFAOYSA-N 1 0 238.335 1.289 10 0 BDAERO CC(C)[C@H](C[NH3+])CCC(=O)NC(C)(C)C ZINC000076608442 187279717 /nfs/dbraw/zinc/27/97/17/187279717.db2.gz DNDJSXZBODHEJO-JTQLQIEISA-N 1 0 214.353 1.912 10 0 BDAERO CC[C@H](CC(F)F)Cn1cc(C[NH3+])nn1 ZINC000641181903 362259616 /nfs/dbraw/zinc/25/96/16/362259616.db2.gz HHJKRXRAEWPXLW-SSDOTTSWSA-N 1 0 218.251 1.418 10 0 BDAERO C[C@]1(Nc2ncc(Cl)cn2)CC[NH2+]C1 ZINC000230749985 347017773 /nfs/dbraw/zinc/01/77/73/347017773.db2.gz ZVCUHJWULHWHOS-VIFPVBQESA-N 1 0 212.684 1.294 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000094357845 537837940 /nfs/dbraw/zinc/83/79/40/537837940.db2.gz YWYXGRUZFZHBGL-CQSZACIVSA-N 1 0 244.338 1.932 10 0 BDAERO O=C(N1CCC=C(F)C1)C12CCC[NH+]1CCC2 ZINC000335887365 344043569 /nfs/dbraw/zinc/04/35/69/344043569.db2.gz UVDKSTPZZDHWNZ-UHFFFAOYSA-N 1 0 238.306 1.701 10 0 BDAERO CCC1(C[N@@H+]2CC[C@H](O)[C@H](C)C2)CCOCC1 ZINC000335877027 344045743 /nfs/dbraw/zinc/04/57/43/344045743.db2.gz LWAAZANUCGYNKY-OLZOCXBDSA-N 1 0 241.375 1.896 10 0 BDAERO C[NH2+][C@H](C)c1csc([C@@H]2CCOC2)n1 ZINC000070842131 343956357 /nfs/dbraw/zinc/95/63/57/343956357.db2.gz TVIRBLBCKHZMBE-HTQZYQBOSA-N 1 0 212.318 1.927 10 0 BDAERO C1CCC2(C1)C[C@H]([NH+]1CCNCC1)CCO2 ZINC000082361326 187281902 /nfs/dbraw/zinc/28/19/02/187281902.db2.gz YOHIXGAHIWASOS-GFCCVEGCSA-N 1 0 224.348 1.383 10 0 BDAERO C[NH2+]Cc1ncc(-c2cnc(C)s2)o1 ZINC000234400713 343963900 /nfs/dbraw/zinc/96/39/00/343963900.db2.gz GJQWLHWYTUGSAC-UHFFFAOYSA-N 1 0 209.274 1.826 10 0 BDAERO CC[C@@H](C[NH3+])N1CCSC(C)(C)C1 ZINC000135210290 343967435 /nfs/dbraw/zinc/96/74/35/343967435.db2.gz LTTHYEGSDDZDKJ-VIFPVBQESA-N 1 0 202.367 1.551 10 0 BDAERO CC(C)Cc1cc(=O)[nH]c([C@H]2CCCC[NH2+]2)n1 ZINC000083335747 187284589 /nfs/dbraw/zinc/28/45/89/187284589.db2.gz RMGKXBUTQVIFPP-LLVKDONJSA-N 1 0 235.331 1.783 10 0 BDAERO CC(C)N(C1CC[NH2+]CC1)C(F)(F)F ZINC000095088064 187286769 /nfs/dbraw/zinc/28/67/69/187286769.db2.gz NSPNTYLIDNPXKA-UHFFFAOYSA-N 1 0 210.243 1.969 10 0 BDAERO C[C@H]1C[NH+](CC(C)(C)CO)C[C@H](C)O1 ZINC000051291717 347026952 /nfs/dbraw/zinc/02/69/52/347026952.db2.gz VAJGLXMQKUYCEH-UWVGGRQHSA-N 1 0 201.310 1.114 10 0 BDAERO COC1=NCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000616569940 344172073 /nfs/dbraw/zinc/17/20/73/344172073.db2.gz OZXUJWNMBVHEEL-LLVKDONJSA-N 1 0 210.321 1.831 10 0 BDAERO [NH3+][C@H]1CCN(c2cc(Cl)nnc2Cl)C1 ZINC000127298747 344125179 /nfs/dbraw/zinc/12/51/79/344125179.db2.gz SSJOIXXMQCDYLZ-YFKPBYRVSA-N 1 0 233.102 1.321 10 0 BDAERO CC(C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736209 344127127 /nfs/dbraw/zinc/12/71/27/344127127.db2.gz DRRLQXRQKMMBKX-JQWIXIFHSA-N 1 0 210.321 1.148 10 0 BDAERO CC[C@H](C[NH3+])Nc1cc(Cl)nnc1Cl ZINC000127312543 344129156 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344514882 /nfs/dbraw/zinc/51/48/82/344514882.db2.gz LUIUTGUOUSKTQM-CHWSQXEVSA-N 1 0 233.359 1.544 10 0 BDAERO C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000104102699 187291438 /nfs/dbraw/zinc/29/14/38/187291438.db2.gz VAZLDXLBRHUBEP-BXUZGUMPSA-N 1 0 246.354 1.993 10 0 BDAERO Cc1cc([C@@]2(O)C[C@H](C)[N@@H+](C)C2)cs1 ZINC000127604480 344573560 /nfs/dbraw/zinc/57/35/60/344573560.db2.gz JTTHAFPQYLSRGR-GZMMTYOYSA-N 1 0 211.330 1.968 10 0 BDAERO C(C[C@@H]1CCCC[NH2+]1)OC1CCOCC1 ZINC000041665559 187291501 /nfs/dbraw/zinc/29/15/01/187291501.db2.gz HAAUJXCHYHEUMF-NSHDSACASA-N 1 0 213.321 1.714 10 0 BDAERO CCC[C@@H]1CN([C@@H]2CCSC2)CC[NH2+]1 ZINC000220507715 344541274 /nfs/dbraw/zinc/54/12/74/344541274.db2.gz DGHSFDPIBIZTLQ-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO CO[C@@H]1CCC[N@@H+](C2CCC(=O)CC2)C1 ZINC000230361669 344543197 /nfs/dbraw/zinc/54/31/97/344543197.db2.gz JMPDWCMCIRIDGY-GFCCVEGCSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@H]1SCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000220670418 344567587 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344681708 /nfs/dbraw/zinc/68/17/08/344681708.db2.gz UJDAGXLCFIZQJG-RVARXAPGSA-N 1 0 248.370 1.679 10 0 BDAERO CC[C@H](O)[C@H](C)[N@@H+]1CCOCC1(C)C ZINC000044178239 344675079 /nfs/dbraw/zinc/67/50/79/344675079.db2.gz RSTPIIRQWYPPEA-UWVGGRQHSA-N 1 0 201.310 1.257 10 0 BDAERO CC(C)[C@H](C)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973926 344640802 /nfs/dbraw/zinc/64/08/02/344640802.db2.gz WRUHKFSFSCWDDA-RWMBFGLXSA-N 1 0 229.364 1.344 10 0 BDAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000625977039 344642555 /nfs/dbraw/zinc/64/25/55/344642555.db2.gz WXMAGSMYXOJRBD-IEECTRCBSA-N 1 0 226.364 1.482 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]([C@@H]2CCOC2)CSC1 ZINC000158689128 344720073 /nfs/dbraw/zinc/72/00/73/344720073.db2.gz NKBPXSPTBPXCOS-OPRDCNLKSA-N 1 0 201.335 1.364 10 0 BDAERO O=[S@@]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000158681741 344721071 /nfs/dbraw/zinc/72/10/71/344721071.db2.gz PWXAYSURWPPLBQ-FZMZJTMJSA-N 1 0 215.362 1.677 10 0 BDAERO C[C@@H]1CC[C@H]([C@H]2[NH2+]CCc3nc[nH]c32)O1 ZINC000400387784 537854993 /nfs/dbraw/zinc/85/49/93/537854993.db2.gz NYRLPSBOJZSXDX-BCMRRPTOSA-N 1 0 207.277 1.164 10 0 BDAERO OC[C@@H]1CC[C@@H](CO)[N@H+](Cc2ccccc2)C1 ZINC000307040806 344736559 /nfs/dbraw/zinc/73/65/59/344736559.db2.gz RASVYUVGWVXMTI-KGLIPLIRSA-N 1 0 235.327 1.252 10 0 BDAERO [NH3+]CC1CCN(C(=O)c2ccnc(F)c2)CC1 ZINC000117502798 344746975 /nfs/dbraw/zinc/74/69/75/344746975.db2.gz HWXJFJDDLLVOQA-UHFFFAOYSA-N 1 0 237.278 1.032 10 0 BDAERO CC[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC000127956459 344693956 /nfs/dbraw/zinc/69/39/56/344693956.db2.gz BNZHUCJGPRLDBQ-LLVKDONJSA-N 1 0 207.273 1.857 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1CSC ZINC000399996970 344749003 /nfs/dbraw/zinc/74/90/03/344749003.db2.gz KNAPFNOGCYBCGN-ZJUUUORDSA-N 1 0 230.377 1.468 10 0 BDAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(N)=S ZINC000050564865 344711064 /nfs/dbraw/zinc/71/10/64/344711064.db2.gz OHBHENDPIBDJRU-DTWKUNHWSA-N 1 0 200.351 1.783 10 0 BDAERO COC1([C@@H]2[NH2+]CCc3nc[nH]c32)CCCC1 ZINC000400390006 537855509 /nfs/dbraw/zinc/85/55/09/537855509.db2.gz KDGRMFKIBWFARD-LLVKDONJSA-N 1 0 221.304 1.556 10 0 BDAERO CSCCC[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400402014 537855679 /nfs/dbraw/zinc/85/56/79/537855679.db2.gz UAQSCETUCVTPMG-QMMMGPOBSA-N 1 0 211.334 1.740 10 0 BDAERO CC[C@]1([C@H]2C[C@@H]2C)[NH2+]CCc2nc[nH]c21 ZINC000400425581 537856515 /nfs/dbraw/zinc/85/65/15/537856515.db2.gz ZZVZIDOJAHYZPK-HOTUBEGUSA-N 1 0 205.305 1.817 10 0 BDAERO Cc1ccc(N2CC[C@@H]([NH3+])C2=O)cc1Cl ZINC000049648406 178714402 /nfs/dbraw/zinc/71/44/02/178714402.db2.gz OIPOSKSJSXDKRM-SNVBAGLBSA-N 1 0 224.691 1.712 10 0 BDAERO CSC1(CN2CC[NH2+]C[C@H]2C)CCC1 ZINC000235054104 344754101 /nfs/dbraw/zinc/75/41/01/344754101.db2.gz KVGVXBXVMUGLKC-SNVBAGLBSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)c1occc1Br ZINC000235146892 344813352 /nfs/dbraw/zinc/81/33/52/344813352.db2.gz PDNTVNKCXKFYAN-FSPLSTOPSA-N 1 0 234.093 1.670 10 0 BDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)(F)F ZINC000062810261 347082110 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MIQLQIVWQIFBPP-SSDOTTSWSA-N 1 0 208.290 1.058 10 0 BDAERO CCC[NH2+][C@@H](C)c1cn(Cc2ccncc2)nn1 ZINC000310946313 344896219 /nfs/dbraw/zinc/89/62/19/344896219.db2.gz MLVJRDJRUWXZHZ-NSHDSACASA-N 1 0 245.330 1.782 10 0 BDAERO C[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]2)CS1 ZINC000235411883 344907886 /nfs/dbraw/zinc/90/78/86/344907886.db2.gz GNZSMTUOYDKYAH-OUAUKWLOSA-N 1 0 214.378 1.564 10 0 BDAERO C[C@@H](c1ccc(O)cc1F)N1CC[NH2+]CC1 ZINC000235532808 344933143 /nfs/dbraw/zinc/93/31/43/344933143.db2.gz AIBKPCMMAZETOI-VIFPVBQESA-N 1 0 224.279 1.498 10 0 BDAERO O=C1NCCCC[C@H]1[NH+]1Cc2ccccc2C1 ZINC000153594682 344915311 /nfs/dbraw/zinc/91/53/11/344915311.db2.gz KPTYGXVFYLACHB-CYBMUJFWSA-N 1 0 230.311 1.671 10 0 BDAERO O[C@H]([C@@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000224643538 344961604 /nfs/dbraw/zinc/96/16/04/344961604.db2.gz DGRMMOITTYMAGV-KXUCPTDWSA-N 1 0 201.335 1.243 10 0 BDAERO CCc1[nH+]c([C@@H]2CCSC2)c(N)n1C ZINC000224662932 344965928 /nfs/dbraw/zinc/96/59/28/344965928.db2.gz UTEHSXQUHQZAHU-SSDOTTSWSA-N 1 0 211.334 1.785 10 0 BDAERO CCOC1CC([NH2+]C[C@H]2CCC[C@H]2O)C1 ZINC000162793548 133534669 /nfs/dbraw/zinc/53/46/69/133534669.db2.gz HYPBDVGXWMEKOD-HBIQZDMRSA-N 1 0 213.321 1.305 10 0 BDAERO CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000199661096 187298531 /nfs/dbraw/zinc/29/85/31/187298531.db2.gz WNYDQNWUSLFCGX-NEPJUHHUSA-N 1 0 210.321 1.530 10 0 BDAERO O[C@]1(Cc2ccc(Cl)cc2)CC[NH2+]C1 ZINC000033856555 344978955 /nfs/dbraw/zinc/97/89/55/344978955.db2.gz JEIKNPSCGAVTRT-NSHDSACASA-N 1 0 211.692 1.607 10 0 BDAERO CCOc1cc([C@H]([NH3+])CCO)ccc1O ZINC000044232386 344988479 /nfs/dbraw/zinc/98/84/79/344988479.db2.gz FFAUYYRYXLKWJT-SECBINFHSA-N 1 0 211.261 1.173 10 0 BDAERO CCC(CC)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000153880459 344991359 /nfs/dbraw/zinc/99/13/59/344991359.db2.gz JAXFOYNJFFSTPL-CHWSQXEVSA-N 1 0 242.407 1.810 10 0 BDAERO C[C@H](c1cnccn1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000247965557 344993489 /nfs/dbraw/zinc/99/34/89/344993489.db2.gz HOVQNNDWSVBKSG-NEPJUHHUSA-N 1 0 234.347 1.469 10 0 BDAERO CCC(CC)C[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000153889431 344994168 /nfs/dbraw/zinc/99/41/68/344994168.db2.gz FWIGSXIYCHBDPV-CQSZACIVSA-N 1 0 242.407 1.811 10 0 BDAERO C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000248036643 345021675 /nfs/dbraw/zinc/02/16/75/345021675.db2.gz JKXQRHRSEWMWBN-UONOGXRCSA-N 1 0 234.343 1.089 10 0 BDAERO [NH3+]C[C@]1([C@H]2CCSC2)CCC[C@H]1O ZINC000405464821 345052387 /nfs/dbraw/zinc/05/23/87/345052387.db2.gz JMPBHIRBNJODNZ-AEJSXWLSSA-N 1 0 201.335 1.229 10 0 BDAERO Cn1cccc1[C@H]([NH3+])c1ccc(O)cc1 ZINC000011848700 345031195 /nfs/dbraw/zinc/03/11/95/345031195.db2.gz VEBWCXQSKDWMRC-GFCCVEGCSA-N 1 0 202.257 1.779 10 0 BDAERO [NH3+][C@@H](Cn1cccn1)c1ccc(O)cc1 ZINC000011848813 345031203 /nfs/dbraw/zinc/03/12/03/345031203.db2.gz ZUKZSHIZBYODKA-NSHDSACASA-N 1 0 203.245 1.289 10 0 BDAERO CCOc1ccc([C@@H]([NH3+])Cn2cccn2)cc1 ZINC000011849950 345032556 /nfs/dbraw/zinc/03/25/56/345032556.db2.gz JBNBEBQATDLTTL-ZDUSSCGKSA-N 1 0 231.299 1.982 10 0 BDAERO Cc1ccc(S(=O)(=O)CCCC[NH3+])cc1C ZINC000020223519 178823032 /nfs/dbraw/zinc/82/30/32/178823032.db2.gz SZJDOUZTSFBBPE-UHFFFAOYSA-N 1 0 241.356 1.816 10 0 BDAERO CC(C)OC[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000221543836 259382181 /nfs/dbraw/zinc/38/21/81/259382181.db2.gz DXVRRRJWMCEPHL-WDEREUQCSA-N 1 0 233.377 1.210 10 0 BDAERO Cc1cncc(OC(F)(F)F)c1C[NH3+] ZINC000238542712 345073643 /nfs/dbraw/zinc/07/36/43/345073643.db2.gz FLFBADBWRLIFOE-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO [NH3+]Cc1cnc(OC(F)(F)F)c(F)c1 ZINC000238570037 345079379 /nfs/dbraw/zinc/07/93/79/345079379.db2.gz FCBQOMNQRWEKRE-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO [NH3+]C1CC(O)(c2cccc(Br)c2)C1 ZINC000238581948 345084422 /nfs/dbraw/zinc/08/44/22/345084422.db2.gz LEYYFBSDBYKVJP-UHFFFAOYSA-N 1 0 242.116 1.758 10 0 BDAERO Cc1ccc(C[NH3+])c(OC(F)(F)F)n1 ZINC000238469804 345056257 /nfs/dbraw/zinc/05/62/57/345056257.db2.gz IVFWREZOVABYMH-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO Cc1csc(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000238498899 345063740 /nfs/dbraw/zinc/06/37/40/345063740.db2.gz SUORIZGZILECBS-SNVBAGLBSA-N 1 0 210.346 1.980 10 0 BDAERO Clc1cccnc1NC[C@@H]1C[NH2+]CCCO1 ZINC000390217932 259382529 /nfs/dbraw/zinc/38/25/29/259382529.db2.gz MTKCIKJAHWGATC-VIFPVBQESA-N 1 0 241.722 1.525 10 0 BDAERO [NH3+]Cc1nccc(OC(F)(F)F)c1F ZINC000238611497 345092624 /nfs/dbraw/zinc/09/26/24/345092624.db2.gz CHELBPYDHGSRHE-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO [NH3+]Cc1cc(Cl)c(Br)cn1 ZINC000238654282 345102998 /nfs/dbraw/zinc/10/29/98/345102998.db2.gz OMSKXZIJNCYWSY-UHFFFAOYSA-N 1 0 221.485 1.956 10 0 BDAERO Nc1[nH+]ccn1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720867213 537888879 /nfs/dbraw/zinc/88/88/79/537888879.db2.gz DYQWMXSFRMGGPA-UTLUCORTSA-N 1 0 207.277 1.423 10 0 BDAERO O[C@@]1(c2cccnc2Br)CC[NH2+]C1 ZINC000238663299 345104804 /nfs/dbraw/zinc/10/48/04/345104804.db2.gz RTIWIIRKMMRUKG-VIFPVBQESA-N 1 0 243.104 1.025 10 0 BDAERO [NH3+]Cc1ccc(OC(F)(F)F)nc1F ZINC000238682646 345109485 /nfs/dbraw/zinc/10/94/85/345109485.db2.gz OADJAPCEFCODQI-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000156104358 345125404 /nfs/dbraw/zinc/12/54/04/345125404.db2.gz RRGAMPRLZFOERA-WDEREUQCSA-N 1 0 236.315 1.893 10 0 BDAERO CC1(C)CCC2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000675054514 537895227 /nfs/dbraw/zinc/89/52/27/537895227.db2.gz VRYAYVFTNKKETP-VIFPVBQESA-N 1 0 211.305 1.847 10 0 BDAERO CC1(C)CCC2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000675054512 537895288 /nfs/dbraw/zinc/89/52/88/537895288.db2.gz VRYAYVFTNKKETP-SECBINFHSA-N 1 0 211.305 1.847 10 0 BDAERO C1=[NH+]C[C@H]([C@@H]2[C@@H]3Cc4ccccc4C[C@@H]32)N1 ZINC000102244939 187302355 /nfs/dbraw/zinc/30/23/55/187302355.db2.gz ZTOZMRNKMZKZSI-XJFOESAGSA-N 1 0 212.296 1.648 10 0 BDAERO COc1cccc(C2=C[C@@H](O)C[NH2+]C2)c1 ZINC000675077758 537895472 /nfs/dbraw/zinc/89/54/72/537895472.db2.gz RFSZURWUMOASRR-LLVKDONJSA-N 1 0 205.257 1.043 10 0 BDAERO C[C@@H]1CSC2(C[C@@H](C)O[C@H](C)C2)[NH2+]1 ZINC000133634571 345381077 /nfs/dbraw/zinc/38/10/77/345381077.db2.gz PVYMCIJMUYWQQI-IWSPIJDZSA-N 1 0 201.335 1.995 10 0 BDAERO Cc1ccc([C@@H]([NH3+])CS(C)(=O)=O)cc1C ZINC000053327591 178859146 /nfs/dbraw/zinc/85/91/46/178859146.db2.gz VREJSPSXHPHXHK-NSHDSACASA-N 1 0 227.329 1.348 10 0 BDAERO C[C@@H]1CN(C(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000635526140 345421941 /nfs/dbraw/zinc/42/19/41/345421941.db2.gz NMQICQAPJKPOKI-ZJUUUORDSA-N 1 0 225.336 1.165 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O2)CC[C@@H]1O ZINC000159397618 345430341 /nfs/dbraw/zinc/43/03/41/345430341.db2.gz UVQPPWQJBCHZIN-XBFCOCLRSA-N 1 0 247.338 1.693 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1nnc(C)c(C)n1 ZINC000158983522 345396885 /nfs/dbraw/zinc/39/68/85/345396885.db2.gz AMQMRWLUIWZOMW-SNVBAGLBSA-N 1 0 223.324 1.418 10 0 BDAERO CC(C)C[C@H](C)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336671869 187306467 /nfs/dbraw/zinc/30/64/67/187306467.db2.gz NUPHKRBXNALNAH-QJPTWQEYSA-N 1 0 226.364 1.925 10 0 BDAERO Nc1cccc(Cl)c1SC1C[NH2+]C1 ZINC000054931827 345561438 /nfs/dbraw/zinc/56/14/38/345561438.db2.gz ZWLLFBDMFRSUES-UHFFFAOYSA-N 1 0 214.721 1.986 10 0 BDAERO CO[C@@H](C)[C@H](C)N1CC[NH2+]CC1(C)C ZINC000229407073 345571433 /nfs/dbraw/zinc/57/14/33/345571433.db2.gz SGPTUZMOWPHBON-UWVGGRQHSA-N 1 0 200.326 1.094 10 0 BDAERO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc[nH]c2)C1 ZINC000092188882 345605556 /nfs/dbraw/zinc/60/55/56/345605556.db2.gz UALKALZONOLNLJ-LBPRGKRZSA-N 1 0 248.330 1.004 10 0 BDAERO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000336739979 187308869 /nfs/dbraw/zinc/30/88/69/187308869.db2.gz LWEGBSUPZDNPTL-VXGBXAGGSA-N 1 0 224.348 1.990 10 0 BDAERO Cc1sccc1[C@]1(O)CC[NH2+]C[C@H]1C ZINC000227752545 345655147 /nfs/dbraw/zinc/65/51/47/345655147.db2.gz AJKYNQWIAPJNAD-KCJUWKMLSA-N 1 0 211.330 1.874 10 0 BDAERO CN(CCC[NH3+])c1ccnc(C(F)(F)F)c1 ZINC000212805449 345740282 /nfs/dbraw/zinc/74/02/82/345740282.db2.gz UARKGSQZWJUOEY-UHFFFAOYSA-N 1 0 233.237 1.885 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccccc2)C1 ZINC000148247740 345719241 /nfs/dbraw/zinc/71/92/41/345719241.db2.gz WSHWCWNQKLVBNO-CHWSQXEVSA-N 1 0 221.300 1.268 10 0 BDAERO c1ccc(COCOC[C@H]2C[NH2+]CCO2)cc1 ZINC000033898830 345806750 /nfs/dbraw/zinc/80/67/50/345806750.db2.gz DXUYLXVTACFKNY-CYBMUJFWSA-N 1 0 237.299 1.166 10 0 BDAERO COc1c2c(c3c(c1OC)C[NH2+]CC3)CCC2 ZINC000033826945 345816228 /nfs/dbraw/zinc/81/62/28/345816228.db2.gz HVRQOIUHAQSUQE-UHFFFAOYSA-N 1 0 233.311 1.838 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H]1C1CC1 ZINC000136722587 345818904 /nfs/dbraw/zinc/81/89/04/345818904.db2.gz RYNAGLMDQOVNMK-ZJUUUORDSA-N 1 0 226.320 1.509 10 0 BDAERO C[C@H](C(=O)[O-])[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000257753916 345781681 /nfs/dbraw/zinc/78/16/81/345781681.db2.gz METIVJCGGWAYOS-SNVBAGLBSA-N 1 0 226.320 1.020 10 0 BDAERO C1C[C@H](c2nc(C3CCSCC3)no2)C[NH2+]1 ZINC000258286382 345783926 /nfs/dbraw/zinc/78/39/26/345783926.db2.gz CRNHHQNLBMJVJA-VIFPVBQESA-N 1 0 239.344 1.757 10 0 BDAERO [NH3+]CC[C@@](O)(c1ccc(F)cc1)c1ccccn1 ZINC000034338152 345821682 /nfs/dbraw/zinc/82/16/82/345821682.db2.gz HXNWXLFXCXFWAL-CQSZACIVSA-N 1 0 246.285 1.805 10 0 BDAERO CN1CC[NH+]([C@@H]2CCCc3ccc(N)cc32)CC1 ZINC000167790120 345801196 /nfs/dbraw/zinc/80/11/96/345801196.db2.gz KEJNMVNVPVRJHL-OAHLLOKOSA-N 1 0 245.370 1.894 10 0 BDAERO NC(=[NH2+])c1ccc2c(c1)N(Cc1c[nH]cn1)CC2 ZINC000034894289 345845636 /nfs/dbraw/zinc/84/56/36/345845636.db2.gz LGRJJTFUBZOLFT-UHFFFAOYSA-N 1 0 241.298 1.256 10 0 BDAERO c1ccc2cc(O[C@@H]3CC[NH2+]C3)ncc2c1 ZINC000035090189 345849343 /nfs/dbraw/zinc/84/93/43/345849343.db2.gz MWBVETWBFCHHJP-GFCCVEGCSA-N 1 0 214.268 1.976 10 0 BDAERO Cc1ccc([C@]2(C)C[C@@]2(C[NH3+])CO)cc1C ZINC000070500727 178926559 /nfs/dbraw/zinc/92/65/59/178926559.db2.gz CHXGMLODJMQYPY-UONOGXRCSA-N 1 0 219.328 1.902 10 0 BDAERO CNc1cc(N2CCCC2)nc(N2CCCC2)n1 ZINC000034571286 345832260 /nfs/dbraw/zinc/83/22/60/345832260.db2.gz HROQKXYLXVHFHF-UHFFFAOYSA-N 1 0 247.346 1.719 10 0 BDAERO CCOC(=O)[C@H]1C[N@@H+](C(C)C)CCN1C(C)C ZINC000034458300 345834696 /nfs/dbraw/zinc/83/46/96/345834696.db2.gz HPTFSBAQCOVPMQ-GFCCVEGCSA-N 1 0 242.363 1.353 10 0 BDAERO CCc1cnc(CN2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000300404589 345839025 /nfs/dbraw/zinc/83/90/25/345839025.db2.gz GRHOPOVDRXWEFQ-NSHDSACASA-N 1 0 235.331 1.517 10 0 BDAERO Cc1ccc([S@@](=O)C[C@@H]2CCC[NH2+]C2)nc1 ZINC000095069060 178933680 /nfs/dbraw/zinc/93/36/80/178933680.db2.gz HAFHRAOHGJKZSA-BDJLRTHQSA-N 1 0 238.356 1.497 10 0 BDAERO COc1ccc2c(c1)Cc1cnn(C[C@@H](C)[NH3+])c1-2 ZINC000143407100 345865169 /nfs/dbraw/zinc/86/51/69/345865169.db2.gz QBBVUZGMSDMERN-SECBINFHSA-N 1 0 243.310 1.810 10 0 BDAERO COc1ccc([C@H](C)NC(=O)C2C[NH2+]C2)cc1 ZINC000090310467 187360335 /nfs/dbraw/zinc/36/03/35/187360335.db2.gz FVSISEIPHYNAJK-VIFPVBQESA-N 1 0 234.299 1.092 10 0 BDAERO C(C[C@H]1CC[NH2+]C1)c1nc([C@H]2CCOC2)no1 ZINC000134616571 187360914 /nfs/dbraw/zinc/36/09/14/187360914.db2.gz TYDSKKSGSOFUJS-UWVGGRQHSA-N 1 0 237.303 1.116 10 0 BDAERO [NH3+]C1CN(C(=O)CCC2CCCCC2)C1 ZINC000082590352 345909953 /nfs/dbraw/zinc/90/99/53/345909953.db2.gz LVGGUQVKMLCFIY-UHFFFAOYSA-N 1 0 210.321 1.516 10 0 BDAERO CC1CC(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000381453973 345930430 /nfs/dbraw/zinc/93/04/30/345930430.db2.gz IQGHHLWUNVAKDY-VGRIYTJTSA-N 1 0 210.321 1.228 10 0 BDAERO Cc1cc(F)cc2c1NC(=O)[C@@H]2CC[NH3+] ZINC000235807190 345916905 /nfs/dbraw/zinc/91/69/05/345916905.db2.gz JFTPKVSTNWISTH-MRVPVSSYSA-N 1 0 208.236 1.519 10 0 BDAERO O[C@@H](C[NH2+]Cc1cc[nH]n1)C1CCCCC1 ZINC000069170439 349940927 /nfs/dbraw/zinc/94/09/27/349940927.db2.gz COHNYKHBZOGTTK-LBPRGKRZSA-N 1 0 223.320 1.441 10 0 BDAERO Cc1nc(N2C[C@H](C)C[C@H](C)C2)cc(N)[nH+]1 ZINC000087805629 345941270 /nfs/dbraw/zinc/94/12/70/345941270.db2.gz MEXMOMIMIZWBPD-DTORHVGOSA-N 1 0 220.320 1.850 10 0 BDAERO Cc1nc(NCc2ccccn2)cc(N)[nH+]1 ZINC000087808279 345942068 /nfs/dbraw/zinc/94/20/68/345942068.db2.gz TZNIUIMISFJFTQ-UHFFFAOYSA-N 1 0 215.260 1.374 10 0 BDAERO C(c1nc(C2CCCCC2)no1)C1C[NH2+]C1 ZINC000081767558 187361332 /nfs/dbraw/zinc/36/13/32/187361332.db2.gz YZMWNTXQQMFKRB-UHFFFAOYSA-N 1 0 221.304 1.879 10 0 BDAERO CCCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000037915758 168540857 /nfs/dbraw/zinc/54/08/57/168540857.db2.gz RKDWDSNGHPWLLH-NEPJUHHUSA-N 1 0 224.348 1.777 10 0 BDAERO CC(=O)[C@H]([NH3+])Cc1ccccc1Br ZINC000096987602 187363261 /nfs/dbraw/zinc/36/32/61/187363261.db2.gz HXBNNSDEQXZAKO-SNVBAGLBSA-N 1 0 242.116 1.908 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccccc2)C1 ZINC000148247940 346034313 /nfs/dbraw/zinc/03/43/13/346034313.db2.gz WSHWCWNQKLVBNO-OLZOCXBDSA-N 1 0 221.300 1.268 10 0 BDAERO OC[C@]1(C[C@@H]2CO2)CC[N@H+](Cc2ccccc2)C1 ZINC000669372063 537948937 /nfs/dbraw/zinc/94/89/37/537948937.db2.gz IBPJXRGVAQFUKV-CABCVRRESA-N 1 0 247.338 1.660 10 0 BDAERO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[NH2+]C2)O1 ZINC000669371693 537948053 /nfs/dbraw/zinc/94/80/53/537948053.db2.gz QEFGLKSVHNKOKI-ZFWWWQNUSA-N 1 0 246.354 1.639 10 0 BDAERO C=Cn1cc(C[NH2+][C@@H]2CCCN(CC)C2)cn1 ZINC000194350765 187316462 /nfs/dbraw/zinc/31/64/62/187316462.db2.gz JRRKXMDVKVKEIW-CYBMUJFWSA-N 1 0 234.347 1.558 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1CCNC(=O)OC(C)(C)C ZINC000147615244 537953593 /nfs/dbraw/zinc/95/35/93/537953593.db2.gz LWHMXZHAXMXJDX-VHSXEESVSA-N 1 0 228.336 1.757 10 0 BDAERO Cc1cccc(-c2n[nH]c(CC[NH3+])n2)c1 ZINC000061844065 178995166 /nfs/dbraw/zinc/99/51/66/178995166.db2.gz HZMADYNXWCGLNJ-UHFFFAOYSA-N 1 0 202.261 1.281 10 0 BDAERO O=C1CCCCC[C@@H]1[N@@H+]1CCCOCC1 ZINC000061914894 346180288 /nfs/dbraw/zinc/18/02/88/346180288.db2.gz YZOPMHWERXKYQP-NSHDSACASA-N 1 0 211.305 1.611 10 0 BDAERO CCOCCN1CC[N@@H+](C2CCCC2)C[C@H]1C ZINC000245606144 537954469 /nfs/dbraw/zinc/95/44/69/537954469.db2.gz KAUBFSLJJRTHST-CYBMUJFWSA-N 1 0 240.391 1.972 10 0 BDAERO Cc1cccc(-c2nc(C[C@H](C)[NH3+])no2)n1 ZINC000054161404 178996865 /nfs/dbraw/zinc/99/68/65/178996865.db2.gz RKDCTQYIZXQIII-ZETCQYMHSA-N 1 0 218.260 1.330 10 0 BDAERO Cn1nnc(Br)c1C1=C[C@@H]([NH3+])CC1 ZINC000236078868 346189142 /nfs/dbraw/zinc/18/91/42/346189142.db2.gz IONMVFBQTQSNLP-LURJTMIESA-N 1 0 243.108 1.082 10 0 BDAERO F[C@@H](Cc1nccs1)[C@H]1CCC[NH2+]1 ZINC000236140926 346196840 /nfs/dbraw/zinc/19/68/40/346196840.db2.gz SQVURYSQOXOXQJ-JGVFFNPUSA-N 1 0 200.282 1.776 10 0 BDAERO Cc1ccnc(C[C@H](O)C2CC[NH2+]CC2)c1 ZINC000167297526 346230170 /nfs/dbraw/zinc/23/01/70/346230170.db2.gz JUXFGTHBOBFWRJ-ZDUSSCGKSA-N 1 0 220.316 1.293 10 0 BDAERO Cc1cccc(C(=O)N(C)C[C@H](C)C[NH3+])n1 ZINC000042455025 179005150 /nfs/dbraw/zinc/00/51/50/179005150.db2.gz JURFEVIRJPRLNW-SECBINFHSA-N 1 0 221.304 1.057 10 0 BDAERO Cc1cccc(C(=O)N(C)C[C@H](C)C[NH3+])c1O ZINC000042455177 179005393 /nfs/dbraw/zinc/00/53/93/179005393.db2.gz UWIDFPUUBSIQAN-SECBINFHSA-N 1 0 236.315 1.367 10 0 BDAERO [NH3+]CCNc1ncc(Br)cc1F ZINC000236269573 346217800 /nfs/dbraw/zinc/21/78/00/346217800.db2.gz JEUCDFWHFDEUJX-UHFFFAOYSA-N 1 0 234.072 1.354 10 0 BDAERO [NH3+][C@H]1c2cccc(Br)c2C[C@@H]1CO ZINC000236308225 346224292 /nfs/dbraw/zinc/22/42/92/346224292.db2.gz OSVSUBKJBMPALO-LHLIQPBNSA-N 1 0 242.116 1.614 10 0 BDAERO [NH3+][C@H](CC1OCCO1)c1cc(F)cc(F)c1 ZINC000236317146 346224784 /nfs/dbraw/zinc/22/47/84/346224784.db2.gz NZAYABXYCUNWMT-SNVBAGLBSA-N 1 0 229.226 1.728 10 0 BDAERO Cc1cccc(=O)n1C[C@@H]1CCC[NH2+]C1 ZINC000043472149 179003127 /nfs/dbraw/zinc/00/31/27/179003127.db2.gz NQBROCJXILXQLD-LLVKDONJSA-N 1 0 206.289 1.156 10 0 BDAERO Cc1cccc(=O)n1CC[NH2+]C(C)(C)C ZINC000042410457 179003164 /nfs/dbraw/zinc/00/31/64/179003164.db2.gz FBCDNQOMWKQCGO-UHFFFAOYSA-N 1 0 208.305 1.545 10 0 BDAERO C[C@H](C[NH3+])[C@@H](O)c1cncc(Cl)c1 ZINC000669376980 537963676 /nfs/dbraw/zinc/96/36/76/537963676.db2.gz CUKDNAKLKFYBSW-HZGVNTEJSA-N 1 0 200.669 1.363 10 0 BDAERO [NH3+]Cc1cccc(Oc2ncccn2)c1 ZINC000022145872 187319109 /nfs/dbraw/zinc/31/91/09/187319109.db2.gz PTYOCBXBWNXYNR-UHFFFAOYSA-N 1 0 201.229 1.728 10 0 BDAERO CSc1cnc([C@@H](O)[C@@H](C)C[NH3+])s1 ZINC000669377633 537964979 /nfs/dbraw/zinc/96/49/79/537964979.db2.gz VMBWJFZJSPJDDX-FSPLSTOPSA-N 1 0 218.347 1.493 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)on1 ZINC000390680020 346298691 /nfs/dbraw/zinc/29/86/91/346298691.db2.gz XBLHXYUAELXMBL-JQWIXIFHSA-N 1 0 224.304 1.624 10 0 BDAERO CCC[C@H](C[NH3+])C1(O)CCSCC1 ZINC000669377758 537967200 /nfs/dbraw/zinc/96/72/00/537967200.db2.gz GYIIFXHESRWGAM-SECBINFHSA-N 1 0 203.351 1.620 10 0 BDAERO CC[C@@](C)(C[NH3+])C1(O)CCSCC1 ZINC000669378018 537965466 /nfs/dbraw/zinc/96/54/66/537965466.db2.gz QKCIRPGGJPVIDL-VIFPVBQESA-N 1 0 203.351 1.620 10 0 BDAERO CC[C@](C)(C[NH3+])C1(O)CCSCC1 ZINC000669378017 537967249 /nfs/dbraw/zinc/96/72/49/537967249.db2.gz QKCIRPGGJPVIDL-SECBINFHSA-N 1 0 203.351 1.620 10 0 BDAERO Cc1cccc(C(C)(C)C)c1OC[C@H](O)C[NH3+] ZINC000008028957 179026777 /nfs/dbraw/zinc/02/67/77/179026777.db2.gz MTBLBBRBCQFFMP-LLVKDONJSA-N 1 0 237.343 1.991 10 0 BDAERO Cc1cccc(C)c1OCC[C@@H](O)CC[NH3+] ZINC000041243077 179045776 /nfs/dbraw/zinc/04/57/76/179045776.db2.gz DVWUUXMVXKBWNO-LBPRGKRZSA-N 1 0 223.316 1.782 10 0 BDAERO Cc1cccc(C)c1OCC[C@@H](C[NH3+])N(C)C ZINC000019663823 179046890 /nfs/dbraw/zinc/04/68/90/179046890.db2.gz FYUJANJUMYWVNV-ZDUSSCGKSA-N 1 0 236.359 1.961 10 0 BDAERO Cc1cccc(C)c1OCC[C@](C)(O)C[NH3+] ZINC000019668279 179048316 /nfs/dbraw/zinc/04/83/16/179048316.db2.gz WYYCFQUJCLIGRS-ZDUSSCGKSA-N 1 0 223.316 1.782 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NC2(C3CC3)CC2)C1 ZINC000381560354 346350929 /nfs/dbraw/zinc/35/09/29/346350929.db2.gz QEMCVWNBQPZFGT-WPRPVWTQSA-N 1 0 208.305 1.173 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)C1CCC1 ZINC000193252353 187366503 /nfs/dbraw/zinc/36/65/03/187366503.db2.gz MEKJKRLKSFJZNW-GFCCVEGCSA-N 1 0 215.337 1.648 10 0 BDAERO CC(C)(C)C(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669378681 537970684 /nfs/dbraw/zinc/97/06/84/537970684.db2.gz MOIHPSRIGZLTHG-JTQLQIEISA-N 1 0 222.279 1.521 10 0 BDAERO C[C@@H]1CSCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000069762028 349958179 /nfs/dbraw/zinc/95/81/79/349958179.db2.gz BSZQGKNKWNWAEM-GHMZBOCLSA-N 1 0 242.388 1.340 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241219 537977112 /nfs/dbraw/zinc/97/71/12/537977112.db2.gz BNHDYEBGNVYNAP-LLVKDONJSA-N 1 0 224.348 1.633 10 0 BDAERO Cc1cccc(CNC(=O)[C@H]([NH3+])C(C)(C)C)c1 ZINC000083361191 179086277 /nfs/dbraw/zinc/08/62/77/179086277.db2.gz WTHDTAAQFHLISV-LBPRGKRZSA-N 1 0 234.343 1.985 10 0 BDAERO CC1(C(=O)N2CCC[NH2+]CC23CC3)CC1 ZINC000725241924 537980952 /nfs/dbraw/zinc/98/09/52/537980952.db2.gz WRBRHOUOAYUOHB-UHFFFAOYSA-N 1 0 208.305 1.141 10 0 BDAERO Cc1occc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170859481 346462627 /nfs/dbraw/zinc/46/26/27/346462627.db2.gz RVPXELDDWWEKSH-SNVBAGLBSA-N 1 0 222.288 1.364 10 0 BDAERO CCC(F)(F)CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000641798254 362740230 /nfs/dbraw/zinc/74/02/30/362740230.db2.gz CWSWNRVGGRGBMS-VHSXEESVSA-N 1 0 234.290 1.094 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2O)c1 ZINC000037859915 179098890 /nfs/dbraw/zinc/09/88/90/179098890.db2.gz DXZKZPHUKQWODL-OLZOCXBDSA-N 1 0 205.301 1.998 10 0 BDAERO COc1cccc(Cl)c1[C@H](O)[C@@H](C)[NH3+] ZINC000162030298 346506799 /nfs/dbraw/zinc/50/67/99/346506799.db2.gz DQTMOJACQPCYDG-LHLIQPBNSA-N 1 0 215.680 1.729 10 0 BDAERO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH3+] ZINC000038673438 179107801 /nfs/dbraw/zinc/10/78/01/179107801.db2.gz KBCATONITNBPBC-ZETCQYMHSA-N 1 0 212.680 1.934 10 0 BDAERO Cc1cccc(C[C@@H]([NH3+])c2cnn(C)c2)c1 ZINC000043561125 179104355 /nfs/dbraw/zinc/10/43/55/179104355.db2.gz YJMGVURHRAPNSX-CYBMUJFWSA-N 1 0 215.300 1.971 10 0 BDAERO Cc1cccc(C[C@@]2(O)CCC[NH2+]C2)c1 ZINC000071509480 179104923 /nfs/dbraw/zinc/10/49/23/179104923.db2.gz IRZDYOSPDMWJDE-ZDUSSCGKSA-N 1 0 205.301 1.652 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CCC[NH2+]CC12CC2 ZINC000725241937 537981751 /nfs/dbraw/zinc/98/17/51/537981751.db2.gz WXHKUWJZBXVPOC-LLVKDONJSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCCO1 ZINC000164160385 346593211 /nfs/dbraw/zinc/59/32/11/346593211.db2.gz VYOCASNNPMXWJP-WPRPVWTQSA-N 1 0 212.318 1.774 10 0 BDAERO Cc1cccc(N2C[C@H](C[NH3+])CC2=O)c1C ZINC000019669488 179124045 /nfs/dbraw/zinc/12/40/45/179124045.db2.gz QBDDZZNCEQGHKR-NSHDSACASA-N 1 0 218.300 1.615 10 0 BDAERO CCC[NH+](CCC)CC12CC(CO)(C1)CO2 ZINC000669379988 537984065 /nfs/dbraw/zinc/98/40/65/537984065.db2.gz OCBRQJDZOGAMDJ-UHFFFAOYSA-N 1 0 227.348 1.650 10 0 BDAERO C[C@]1(C[NH+]2CC(CO)C2)CCCS1 ZINC000164440528 346604682 /nfs/dbraw/zinc/60/46/82/346604682.db2.gz NBAZBKSGYIXFQW-SNVBAGLBSA-N 1 0 201.335 1.196 10 0 BDAERO CSCCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000381857217 346655121 /nfs/dbraw/zinc/65/51/21/346655121.db2.gz VDRRNKOKRPNZAI-ZJUUUORDSA-N 1 0 230.377 1.100 10 0 BDAERO Cc1cccc(NC(=O)CN(C)C[C@@H](C)C[NH3+])c1 ZINC000042455918 179128383 /nfs/dbraw/zinc/12/83/83/179128383.db2.gz SNPYNNZXJVJTIY-LBPRGKRZSA-N 1 0 249.358 1.460 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000335598876 179140653 /nfs/dbraw/zinc/14/06/53/179140653.db2.gz YRGRDOKVXFGUMG-QWRGUYRKSA-N 1 0 233.315 1.717 10 0 BDAERO Cn1cnc2c1[C@H](C1(C)CCC1)[NH2+]CC2 ZINC000725242546 537985285 /nfs/dbraw/zinc/98/52/85/537985285.db2.gz DPMYFWPWSXMKPC-LLVKDONJSA-N 1 0 205.305 1.797 10 0 BDAERO CCC[C@H](OC)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242711 537985843 /nfs/dbraw/zinc/98/58/43/537985843.db2.gz LTVZNSQCAFWOLN-WDEREUQCSA-N 1 0 223.320 1.422 10 0 BDAERO CC[C@@](C)(OC)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242818 537986591 /nfs/dbraw/zinc/98/65/91/537986591.db2.gz VZZCJDQFVYSCKS-VXGBXAGGSA-N 1 0 223.320 1.422 10 0 BDAERO C[C@@H]([NH2+][C@@H]1C[C@H]1CO)C1CCSCC1 ZINC000378674728 346801925 /nfs/dbraw/zinc/80/19/25/346801925.db2.gz NTCNTQOEQLSKNZ-DVVUODLYSA-N 1 0 215.362 1.489 10 0 BDAERO CCc1noc([C@@H](C)N[C@@H]2CCO[C@@H]2C)n1 ZINC000378669519 346803728 /nfs/dbraw/zinc/80/37/28/346803728.db2.gz IXQSWIFKGKAILG-IWSPIJDZSA-N 1 0 225.292 1.460 10 0 BDAERO CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000251908215 133648059 /nfs/dbraw/zinc/64/80/59/133648059.db2.gz XMABZZLOPPHXSH-GRYCIOLGSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1cccc(OCC[C@@H](O)C[NH3+])c1C ZINC000019668548 179169040 /nfs/dbraw/zinc/16/90/40/179169040.db2.gz DYIHHBSIYLWVIW-LLVKDONJSA-N 1 0 209.289 1.392 10 0 BDAERO CCC(F)(F)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000641824676 362774369 /nfs/dbraw/zinc/77/43/69/362774369.db2.gz XDTNDQIXAIXNSH-IUCAKERBSA-N 1 0 206.280 1.558 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(N)=O)c1 ZINC000037261404 179181786 /nfs/dbraw/zinc/18/17/86/179181786.db2.gz DVPUVYWQUKHJQG-ZJUUUORDSA-N 1 0 206.289 1.519 10 0 BDAERO COC1(OC)C[C@H]2C[N@H+](C)C[C@]21c1ccccc1 ZINC000040511782 347194438 /nfs/dbraw/zinc/19/44/38/347194438.db2.gz JRMSLSLIBPCNIP-KBPBESRZSA-N 1 0 247.338 1.879 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000160222721 179183344 /nfs/dbraw/zinc/18/33/44/179183344.db2.gz SQRRVFCZDYKUOU-UKRRQHHQSA-N 1 0 248.370 1.976 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N2CCCC[C@@H]2CO)c1 ZINC000042966820 179184816 /nfs/dbraw/zinc/18/48/16/179184816.db2.gz VJMKWEICQAGMTD-HUUCEWRRSA-N 1 0 248.370 1.842 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])Sc2nncn2C)c1 ZINC000042969783 179185177 /nfs/dbraw/zinc/18/51/77/179185177.db2.gz USAAGRLCNQACBB-LLVKDONJSA-N 1 0 248.355 1.916 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cnc2ccccc2c1 ZINC000039077435 347177348 /nfs/dbraw/zinc/17/73/48/347177348.db2.gz OVEPFYWMJUQQMR-NSHDSACASA-N 1 0 230.267 1.798 10 0 BDAERO c1cc2c(o1)CC[NH2+][C@@]21C[C@@H]2COC[C@H]21 ZINC000725242878 537988422 /nfs/dbraw/zinc/98/84/22/537988422.db2.gz NDQKJXXAAUYQJV-UISBYWKRSA-N 1 0 205.257 1.287 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000250401032 362803918 /nfs/dbraw/zinc/80/39/18/362803918.db2.gz MGAFKTCVJHEVQJ-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](CC)[C@@H]1CCOC1 ZINC000310551431 347294165 /nfs/dbraw/zinc/29/41/65/347294165.db2.gz URLIXNXTVUKGPB-OLZOCXBDSA-N 1 0 245.363 1.275 10 0 BDAERO CN([C@H]1CC[NH2+]C1)[C@H]1CCCSC1 ZINC000250488545 362806129 /nfs/dbraw/zinc/80/61/29/362806129.db2.gz XLHTULGEEWYYQU-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000250622789 362813549 /nfs/dbraw/zinc/81/35/49/362813549.db2.gz AHBKIEVDIZDHBV-KXUCPTDWSA-N 1 0 201.335 1.385 10 0 BDAERO CC1(C)CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000310352907 347270300 /nfs/dbraw/zinc/27/03/00/347270300.db2.gz RBUPSQAGZFTHSE-MNOVXSKESA-N 1 0 240.347 1.141 10 0 BDAERO COC1CC([C@H]2[NH2+]CCc3ncn(C)c32)C1 ZINC000725242850 537989378 /nfs/dbraw/zinc/98/93/78/537989378.db2.gz ZVGQOOGAYZBNIW-NWGYLPEXSA-N 1 0 221.304 1.032 10 0 BDAERO Cc1cccc2c(NCCOCCO)cc[nH+]c12 ZINC000301731181 179211429 /nfs/dbraw/zinc/21/14/29/179211429.db2.gz PAVGAUGMJORFGX-UHFFFAOYSA-N 1 0 246.310 1.964 10 0 BDAERO CO[C@H]([C@H](C)[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000388322548 347318571 /nfs/dbraw/zinc/31/85/71/347318571.db2.gz XXYZGZNENQULBX-WKSBVSIWSA-N 1 0 227.348 1.693 10 0 BDAERO Cc1cccc2c1S(=O)(=O)[C@H](C)[C@H]2[NH3+] ZINC000043636704 179222742 /nfs/dbraw/zinc/22/27/42/179222742.db2.gz ARHCGLOEDBETPN-VXNVDRBHSA-N 1 0 211.286 1.171 10 0 BDAERO CN(C[C@@]1(C)CCC[NH2+]1)[C@H]1CCSC1 ZINC000250802905 362822494 /nfs/dbraw/zinc/82/24/94/362822494.db2.gz PMOMKTSVDLOWLX-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO Cc1cccc2c1OCCC[C@@H]2[NH2+]CCO ZINC000037250650 179221263 /nfs/dbraw/zinc/22/12/63/179221263.db2.gz UOXWRSYVUMBOSQ-LBPRGKRZSA-N 1 0 221.300 1.791 10 0 BDAERO Cc1cccc2c1S(=O)(=O)[C@H](C)C[C@@H]2[NH3+] ZINC000037665953 179222230 /nfs/dbraw/zinc/22/22/30/179222230.db2.gz AERSWKTWPUNHOR-SCZZXKLOSA-N 1 0 225.313 1.561 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@H](C)S1 ZINC000088033469 362836038 /nfs/dbraw/zinc/83/60/38/362836038.db2.gz SYYSDIHSAXGMTO-AXFHLTTASA-N 1 0 242.388 1.338 10 0 BDAERO CC[C@@]1(C[NH+]2CCSCC2)CC[NH2+]C1 ZINC000062911006 347423947 /nfs/dbraw/zinc/42/39/47/347423947.db2.gz XQUUDKYCNJNZCI-LLVKDONJSA-N 1 0 214.378 1.425 10 0 BDAERO [NH3+][C@H]1CCN(c2ncnc3[nH]cc(Cl)c32)C1 ZINC000053243994 347441077 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/nfs/dbraw/zinc/06/93/34/349069334.db2.gz XXRKGSPYVXQXPS-KMKOMSMNSA-N 1 0 208.305 1.165 10 0 BDAERO CC(C)(C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000616573485 349071700 /nfs/dbraw/zinc/07/17/00/349071700.db2.gz YUKUVEMYCLSXBB-UWVGGRQHSA-N 1 0 210.321 1.385 10 0 BDAERO Cc1ccc(N)c(C)c1C[NH2+][C@@H](C)CO ZINC000616574845 349081882 /nfs/dbraw/zinc/08/18/82/349081882.db2.gz ZCJFXFGZTYNPIV-VIFPVBQESA-N 1 0 208.305 1.356 10 0 BDAERO CC[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC000616571683 349059536 /nfs/dbraw/zinc/05/95/36/349059536.db2.gz QYNLSEYJQPWMMS-KBPBESRZSA-N 1 0 246.354 1.815 10 0 BDAERO C=CC(=O)N1CC[C@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616572631 349061860 /nfs/dbraw/zinc/06/18/60/349061860.db2.gz XCXGOMMTZPLWEY-GHMZBOCLSA-N 1 0 210.321 1.394 10 0 BDAERO Cc1cc(C(F)F)nc([C@@H](C)C[NH3+])n1 ZINC000616577046 349112055 /nfs/dbraw/zinc/11/20/55/349112055.db2.gz HLFNTGAOXRMXGQ-YFKPBYRVSA-N 1 0 201.220 1.785 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000248373939 349126165 /nfs/dbraw/zinc/12/61/65/349126165.db2.gz MSCUWZWIAXAGNM-NEPJUHHUSA-N 1 0 214.353 1.437 10 0 BDAERO COC(=O)CCCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000599299706 349141297 /nfs/dbraw/zinc/14/12/97/349141297.db2.gz NJIJKAYRQZASNE-PHIMTYICSA-N 1 0 229.320 1.439 10 0 BDAERO C[C@H]1CCN(c2ncnc3c2CCC3)C[C@H]1C[NH3+] ZINC000253195824 349227931 /nfs/dbraw/zinc/22/79/31/349227931.db2.gz SATIAPNUCZFLHV-WDEREUQCSA-N 1 0 246.358 1.386 10 0 BDAERO OCCN1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000108117690 349203383 /nfs/dbraw/zinc/20/33/83/349203383.db2.gz FGEQCSRXJPLVTE-CYBMUJFWSA-N 1 0 226.364 1.365 10 0 BDAERO CC(C)Cc1nc2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253305 538036321 /nfs/dbraw/zinc/03/63/21/538036321.db2.gz BUNZUNHECNWQIE-VIFPVBQESA-N 1 0 207.321 1.955 10 0 BDAERO CCOc1ccc2c(c1)[C@H](C[NH3+])CCO2 ZINC000082940498 538037944 /nfs/dbraw/zinc/03/79/44/538037944.db2.gz XBLGJEJYNRJPRP-VIFPVBQESA-N 1 0 207.273 1.910 10 0 BDAERO FC1(CN2CCC[NH2+]CC2)CCCC1 ZINC000616580828 349259624 /nfs/dbraw/zinc/25/96/24/349259624.db2.gz RGUTZIUGOGFBGW-UHFFFAOYSA-N 1 0 200.301 1.564 10 0 BDAERO CSC[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000308981752 349262542 /nfs/dbraw/zinc/26/25/42/349262542.db2.gz KPPHPLQMVDFTLZ-IJLUTSLNSA-N 1 0 229.389 1.975 10 0 BDAERO Cc1n[nH]cc1CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000289504584 179849031 /nfs/dbraw/zinc/84/90/31/179849031.db2.gz TZVHULGKIQESBR-BXKDBHETSA-N 1 0 222.336 1.100 10 0 BDAERO Cc1nc(-c2ccccn2)ncc1[C@@H](C)[NH3+] ZINC000054962540 179869330 /nfs/dbraw/zinc/86/93/30/179869330.db2.gz JGHJNCSFBGNNHZ-MRVPVSSYSA-N 1 0 214.272 1.867 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(C)(C)CC2)C1 ZINC000061820997 349406142 /nfs/dbraw/zinc/40/61/42/349406142.db2.gz OCPQOWQHGSZLGM-GHMZBOCLSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1nc(C)c([C@@H](C)NC(=O)C[C@@H](C)[NH3+])s1 ZINC000040519104 179919494 /nfs/dbraw/zinc/91/94/94/179919494.db2.gz OGRVGSWBULJDBZ-HTRCEHHLSA-N 1 0 241.360 1.674 10 0 BDAERO COC[C@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090223999 191001381 /nfs/dbraw/zinc/00/13/81/191001381.db2.gz HASAHGFMCSWFDI-WPRPVWTQSA-N 1 0 224.308 1.046 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000070613453 350029533 /nfs/dbraw/zinc/02/95/33/350029533.db2.gz BBKZJFUBTFNHEM-VXGBXAGGSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@@H]1CSCCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619459 350030236 /nfs/dbraw/zinc/03/02/36/350030236.db2.gz PRHCVVJIYVXFND-KOLCDFICSA-N 1 0 228.361 1.092 10 0 BDAERO CC[C@@](C)(C[NH3+])NC(=O)OC(C)(C)C ZINC000070626901 350037189 /nfs/dbraw/zinc/03/71/89/350037189.db2.gz YEPGPTKYNNBMPK-JTQLQIEISA-N 1 0 202.298 1.639 10 0 BDAERO CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000395762282 323241401 /nfs/dbraw/zinc/24/14/01/323241401.db2.gz MJKRUOLWGAGEFM-UPJWGTAASA-N 1 0 238.375 1.879 10 0 BDAERO Cc1nc(COc2cccc(C[C@@H](C)[NH3+])c2)no1 ZINC000037726556 179978862 /nfs/dbraw/zinc/97/88/62/179978862.db2.gz VDULXDRZYHWZKB-SECBINFHSA-N 1 0 247.298 1.847 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])CNC(=O)NC1CCCC1 ZINC000725255063 538050025 /nfs/dbraw/zinc/05/00/25/538050025.db2.gz QEMSZZUWKBCGGM-KOLCDFICSA-N 1 0 227.352 1.602 10 0 BDAERO Cc1nc(N2CCCC2)nc(C)c1CC[NH3+] ZINC000054836694 180001176 /nfs/dbraw/zinc/00/11/76/180001176.db2.gz CUBSDPFVUDODMH-UHFFFAOYSA-N 1 0 220.320 1.195 10 0 BDAERO Cc1nc(N2CCO[C@H](C)C2)sc1[C@@H](C)[NH3+] ZINC000054864313 180001863 /nfs/dbraw/zinc/00/18/63/180001863.db2.gz VKPDXGGFIOTNGM-HTQZYQBOSA-N 1 0 241.360 1.696 10 0 BDAERO Cc1nc(N2CCOCC2(C)C)sc1C[NH3+] ZINC000055001866 180001917 /nfs/dbraw/zinc/00/19/17/180001917.db2.gz CQRBGUQPODANQK-UHFFFAOYSA-N 1 0 241.360 1.525 10 0 BDAERO Cc1nc(N2C[C@H](C)OC[C@@H]2C)sc1C[NH3+] ZINC000054997250 180003828 /nfs/dbraw/zinc/00/38/28/180003828.db2.gz JCIVOHOQAGJGQL-YUMQZZPRSA-N 1 0 241.360 1.524 10 0 BDAERO CC(C)Oc1cncc(N2CC[NH2+]C[C@H]2C)n1 ZINC000071176105 350090072 /nfs/dbraw/zinc/09/00/72/350090072.db2.gz PYMNFPZHOHNZFI-SNVBAGLBSA-N 1 0 236.319 1.062 10 0 BDAERO C[C@@H]1CC[C@H](n2cc(C[NH3+])nn2)C[C@H]1C ZINC000251655541 538050739 /nfs/dbraw/zinc/05/07/39/538050739.db2.gz FUHQHVSKCIFJBA-KKZNHRDASA-N 1 0 208.309 1.734 10 0 BDAERO CCN(c1ccc(C[NH3+])c(F)c1)S(C)(=O)=O ZINC000725255677 538053058 /nfs/dbraw/zinc/05/30/58/538053058.db2.gz HZSGPNYCSNFISE-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO C[S@@](=O)C[C@H]([NH3+])CCCc1ccccc1 ZINC000725255396 538052047 /nfs/dbraw/zinc/05/20/47/538052047.db2.gz AOLQZYLDCZHBJF-IUODEOHRSA-N 1 0 225.357 1.715 10 0 BDAERO Cc1nnc([C@H]([NH3+])Cc2ccc(O)cc2)[nH]1 ZINC000048630521 180053347 /nfs/dbraw/zinc/05/33/47/180053347.db2.gz VVPLEJBWBXQGGI-SNVBAGLBSA-N 1 0 218.260 1.061 10 0 BDAERO Cc1nc([C@H]([NH3+])[C@H](C)O)sc1C(C)C ZINC000083347960 180053473 /nfs/dbraw/zinc/05/34/73/180053473.db2.gz POCCAFUVZPEULZ-JGVFFNPUSA-N 1 0 214.334 1.956 10 0 BDAERO Cc1[nH+]c2c(n1CCN1CCOCC1)CCCC2 ZINC000076095392 180071901 /nfs/dbraw/zinc/07/19/01/180071901.db2.gz YHVJRKAWPMOICG-UHFFFAOYSA-N 1 0 249.358 1.403 10 0 BDAERO Cc1nc2cc(Cl)cnc2n1CC[NH3+] ZINC000036254059 180079995 /nfs/dbraw/zinc/07/99/95/180079995.db2.gz DQHACBSFLICDOE-UHFFFAOYSA-N 1 0 210.668 1.352 10 0 BDAERO CCN(c1ccccc1C[NH3+])S(=O)(=O)CC ZINC000725256192 538055448 /nfs/dbraw/zinc/05/54/48/538055448.db2.gz WUEGBAKPSSZCHP-UHFFFAOYSA-N 1 0 242.344 1.321 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000219680416 350136581 /nfs/dbraw/zinc/13/65/81/350136581.db2.gz XRZAHOODNJJLDZ-HRDYMLBCSA-N 1 0 200.351 1.639 10 0 BDAERO Cc1nc2cc([C@H](O)C[NH3+])ccc2s1 ZINC000082594615 180087254 /nfs/dbraw/zinc/08/72/54/180087254.db2.gz YMGZVPBBSIKGBW-SECBINFHSA-N 1 0 208.286 1.597 10 0 BDAERO Cc1nc2ccc(Cl)cn2c1CC[NH3+] ZINC000033507143 180091255 /nfs/dbraw/zinc/09/12/55/180091255.db2.gz LJFNYXUGVDURKK-UHFFFAOYSA-N 1 0 209.680 1.797 10 0 BDAERO CC[C@@H](C)N(C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000304230345 350145875 /nfs/dbraw/zinc/14/58/75/350145875.db2.gz KMIBSRSDJLSDLP-NEPJUHHUSA-N 1 0 230.396 1.713 10 0 BDAERO CCN(CC)C[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000304261242 350151973 /nfs/dbraw/zinc/15/19/73/350151973.db2.gz TWTHQOMQLSXFLP-NWDGAFQWSA-N 1 0 230.396 1.713 10 0 BDAERO C[C@@H](C[NH3+])[C@@H](O)c1ccc(Br)o1 ZINC000083021576 538062121 /nfs/dbraw/zinc/06/21/21/538062121.db2.gz QACYVRXAKCEQRM-YLWLKBPMSA-N 1 0 234.093 1.670 10 0 BDAERO CCc1nc(C)cc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000304375759 350156066 /nfs/dbraw/zinc/15/60/66/350156066.db2.gz VOAIVVHNOTYDIW-RKDXNWHRSA-N 1 0 222.336 1.885 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000304293270 350156539 /nfs/dbraw/zinc/15/65/39/350156539.db2.gz ZHEBABZJRDUXBM-GRYCIOLGSA-N 1 0 229.364 1.534 10 0 BDAERO CC[C@@H]1C[C@@H](C(=O)OC)Cc2[nH]c(N)[nH+]c21 ZINC000725256809 538059048 /nfs/dbraw/zinc/05/90/48/538059048.db2.gz ZDDCVSHZGIMUBX-RNFRBKRXSA-N 1 0 223.276 1.221 10 0 BDAERO Cc1nc2ccccc2n(CCCCC[NH3+])c1=O ZINC000052099083 180101606 /nfs/dbraw/zinc/10/16/06/180101606.db2.gz RUERWQKIZUAVNJ-UHFFFAOYSA-N 1 0 245.326 1.834 10 0 BDAERO Cc1ncc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])s1 ZINC000185417036 180134276 /nfs/dbraw/zinc/13/42/76/180134276.db2.gz RBRNWGKPALJAPL-BDAKNGLRSA-N 1 0 239.344 1.451 10 0 BDAERO Cc1nc2sccn2c1C[C@H]1CCC[NH2+]1 ZINC000083033944 180117395 /nfs/dbraw/zinc/11/73/95/180117395.db2.gz HEUGOHLXYBRPAK-SECBINFHSA-N 1 0 221.329 1.999 10 0 BDAERO Cc1nc[nH]c1C[NH2+][C@H](C)c1ccncc1 ZINC000054794025 180122274 /nfs/dbraw/zinc/12/22/74/180122274.db2.gz NGTXCKGABZQIEL-SECBINFHSA-N 1 0 216.288 1.964 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CC[C@@H](O)C2)s1 ZINC000306346690 180157791 /nfs/dbraw/zinc/15/77/91/180157791.db2.gz QDARCZTUMLFMNQ-DTWKUNHWSA-N 1 0 212.318 1.455 10 0 BDAERO Cc1ncc(COC2CC[NH2+]CC2)s1 ZINC000062336950 180160790 /nfs/dbraw/zinc/16/07/90/180160790.db2.gz ZNCNXNBIMHAILQ-UHFFFAOYSA-N 1 0 212.318 1.720 10 0 BDAERO Cc1ncc([C@H](C)N2CC[NH2+]CC2)s1 ZINC000071478591 180173668 /nfs/dbraw/zinc/17/36/68/180173668.db2.gz IYVHCYCKFNOSEF-QMMMGPOBSA-N 1 0 211.334 1.418 10 0 BDAERO Cc1ncc([C@@H]2CSCC[NH2+]2)c(C)n1 ZINC000082374830 180174455 /nfs/dbraw/zinc/17/44/55/180174455.db2.gz CZKUMYCXLMJTFO-JTQLQIEISA-N 1 0 209.318 1.471 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)n1 ZINC000038037837 180191693 /nfs/dbraw/zinc/19/16/93/180191693.db2.gz GTKIHLJKYWJYBF-OLZOCXBDSA-N 1 0 235.331 1.568 10 0 BDAERO Cc1nccc(CN[C@H](C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000038037595 180192239 /nfs/dbraw/zinc/19/22/39/180192239.db2.gz USYMWIPUKKRWSB-YPMHNXCESA-N 1 0 248.374 1.605 10 0 BDAERO Cc1nccc(N[C@@H]2c3ccccc3C[C@@H]2[NH3+])n1 ZINC000104322549 180204842 /nfs/dbraw/zinc/20/48/42/180204842.db2.gz YVXWSOATTJLVDC-GXTWGEPZSA-N 1 0 240.310 1.822 10 0 BDAERO [NH3+]Cc1cc(Cc2cccs2)ncn1 ZINC000074189483 350238393 /nfs/dbraw/zinc/23/83/93/350238393.db2.gz LCNKUVAIOVUELI-UHFFFAOYSA-N 1 0 205.286 1.588 10 0 BDAERO Cc1nccn1CCC[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352659180 180237596 /nfs/dbraw/zinc/23/75/96/180237596.db2.gz MFDSAXNPFKBGAP-QWHCGFSZSA-N 1 0 237.347 1.427 10 0 BDAERO Cc1nccn1CC[N@H+]1CCC[C@H](O)[C@H]1C ZINC000335598350 180250898 /nfs/dbraw/zinc/25/08/98/180250898.db2.gz WMBIVYMCGGNDOV-PWSUYJOCSA-N 1 0 223.320 1.037 10 0 BDAERO O=C(Nc1ccccc1F)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000036288201 259412233 /nfs/dbraw/zinc/41/22/33/259412233.db2.gz BCCQYYFPVZTUPC-JOYOIKCWSA-N 1 0 249.289 1.651 10 0 BDAERO C[C@H]1CN([C@@H]2CCCCCC2=O)CCO1 ZINC000037660929 350283189 /nfs/dbraw/zinc/28/31/89/350283189.db2.gz PKZVHHJBRSRILC-WDEREUQCSA-N 1 0 211.305 1.609 10 0 BDAERO COC(=O)c1cc(Cl)nc2c1C[NH2+]CC2 ZINC000725260283 538082411 /nfs/dbraw/zinc/08/24/11/538082411.db2.gz PJBVTASRYGTZCJ-UHFFFAOYSA-N 1 0 226.663 1.167 10 0 BDAERO Cc1nccn1[C@H](C[NH3+])c1ccccn1 ZINC000043341289 180271633 /nfs/dbraw/zinc/27/16/33/180271633.db2.gz XVMYAURWDDILQV-LLVKDONJSA-N 1 0 202.261 1.135 10 0 BDAERO Cc1nccn1[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341292 180272006 /nfs/dbraw/zinc/27/20/06/180272006.db2.gz ZSUKPMAXDXATKC-BXKDBHETSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1ncn(CC[C@H]2CCC[NH2+]C2)c1C ZINC000051927073 180287554 /nfs/dbraw/zinc/28/75/54/180287554.db2.gz AYOXRXJPDSFKTI-GFCCVEGCSA-N 1 0 207.321 1.890 10 0 BDAERO Cc1ncn(Cc2cc(C[NH3+])co2)c1C ZINC000052593609 180288392 /nfs/dbraw/zinc/28/83/92/180288392.db2.gz ODIRBPACYYOAKM-UHFFFAOYSA-N 1 0 205.261 1.600 10 0 BDAERO Cc1ncn(Cc2cccnc2C[NH3+])c1C ZINC000061657131 180289309 /nfs/dbraw/zinc/28/93/09/180289309.db2.gz GKPBBEVJMBGFEJ-UHFFFAOYSA-N 1 0 216.288 1.402 10 0 BDAERO Cc1ncn([C@H](C[NH3+])c2ccncc2)c1C ZINC000051925702 180289854 /nfs/dbraw/zinc/28/98/54/180289854.db2.gz LTNHTNOMKRYQCE-GFCCVEGCSA-N 1 0 216.288 1.443 10 0 BDAERO CCOC(=O)[C@H]([NH3+])C1C[C@@H](C)O[C@H](C)C1 ZINC000606303584 350307124 /nfs/dbraw/zinc/30/71/24/350307124.db2.gz VPSBBCAIJKSZNF-NQMVMOMDSA-N 1 0 215.293 1.080 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324624429 350308135 /nfs/dbraw/zinc/30/81/35/350308135.db2.gz QPCPTKCTTZFZPE-WDEREUQCSA-N 1 0 214.353 1.077 10 0 BDAERO CN1CCC2(CC1)[NH2+]CCc1occc12 ZINC000212353902 538088211 /nfs/dbraw/zinc/08/82/11/538088211.db2.gz WIYMFBMSXJNIFA-UHFFFAOYSA-N 1 0 206.289 1.346 10 0 BDAERO [NH3+]CCC(=O)c1occc1Br ZINC000167901143 350313625 /nfs/dbraw/zinc/31/36/25/350313625.db2.gz KVLVTJRMVNXHBE-UHFFFAOYSA-N 1 0 218.050 1.574 10 0 BDAERO Cc1nccnc1OCC[C@H]1CCC[NH2+]C1 ZINC000095069468 180280677 /nfs/dbraw/zinc/28/06/77/180280677.db2.gz DLQCOZDNUXNURF-LLVKDONJSA-N 1 0 221.304 1.554 10 0 BDAERO Cc1nccnc1[C@@H]1C[NH+]2CCC1CC2 ZINC000013448163 180281400 /nfs/dbraw/zinc/28/14/00/180281400.db2.gz ROMFTAFFSMTCNH-LLVKDONJSA-N 1 0 203.289 1.594 10 0 BDAERO Cc1ncn(-c2cc(C[NH3+])ccn2)c1C ZINC000051925510 180285216 /nfs/dbraw/zinc/28/52/16/180285216.db2.gz MOCUDCGNWLTRCM-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO Cc1ncsc1CC[NH2+][C@H]1CCCC[C@@H]1O ZINC000052015339 180311173 /nfs/dbraw/zinc/31/11/73/180311173.db2.gz ZZHHONOPKXDCHA-QWRGUYRKSA-N 1 0 240.372 1.887 10 0 BDAERO CC[C@H](C)S(=O)(=O)[C@@H]1CC[C@@H]([NH3+])[C@@H]1C ZINC000224912969 350345133 /nfs/dbraw/zinc/34/51/33/350345133.db2.gz PHPJUIJLQRERQU-AXTSPUMRSA-N 1 0 219.350 1.326 10 0 BDAERO Cc1ncsc1CC[C@]1(C[NH3+])CCOC1 ZINC000054637696 180310694 /nfs/dbraw/zinc/31/06/94/180310694.db2.gz LRQKQBOMJWXCSX-LLVKDONJSA-N 1 0 226.345 1.750 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC000050395375 180326850 /nfs/dbraw/zinc/32/68/50/180326850.db2.gz VMCFTUGGECOHPR-IUCAKERBSA-N 1 0 239.344 1.381 10 0 BDAERO Cc1nn(-c2nccs2)c(C)c1C[NH3+] ZINC000082640773 180332793 /nfs/dbraw/zinc/33/27/93/180332793.db2.gz PIYOXMFAYWAWHU-UHFFFAOYSA-N 1 0 208.290 1.404 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1C[C@@H]1C ZINC000105437604 180351221 /nfs/dbraw/zinc/35/12/21/180351221.db2.gz MRNTUYMTCNZIDZ-IMTBSYHQSA-N 1 0 213.712 1.880 10 0 BDAERO Cc1nn(C)c(N(C)Cc2ccccn2)c1C[NH3+] ZINC000036777861 180352638 /nfs/dbraw/zinc/35/26/38/180352638.db2.gz RAUCKCMMDDKTNF-UHFFFAOYSA-N 1 0 245.330 1.219 10 0 BDAERO Cc1nn(C)c(N(CC(C)C)C2CC2)c1C[NH3+] ZINC000042558925 180353634 /nfs/dbraw/zinc/35/36/34/180353634.db2.gz RPEXOFSKFIGWCE-UHFFFAOYSA-N 1 0 236.363 1.812 10 0 BDAERO Cc1nn(C)c(N(C)[C@@H](C)C(C)C)c1CC[NH3+] ZINC000104274114 180353897 /nfs/dbraw/zinc/35/38/97/180353897.db2.gz MANZIJPGFDEJFR-NSHDSACASA-N 1 0 238.379 1.710 10 0 BDAERO CCC[NH2+][C@@H]1CCc2nc(OC)ccc2C1 ZINC000034217516 350464672 /nfs/dbraw/zinc/46/46/72/350464672.db2.gz FBBFGNNHQBOZEY-LLVKDONJSA-N 1 0 220.316 1.947 10 0 BDAERO CCC[C@H](C)C(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000725264914 538093400 /nfs/dbraw/zinc/09/34/00/538093400.db2.gz VBBIBJFNJBYWJM-VIFPVBQESA-N 1 0 246.301 1.490 10 0 BDAERO c1nnn([C@@H]2CCC[NH2+]CC2)c1-c1cncnc1 ZINC000725266106 538093706 /nfs/dbraw/zinc/09/37/06/538093706.db2.gz MURBAOLZNBBTBZ-LLVKDONJSA-N 1 0 244.302 1.050 10 0 BDAERO Nc1cc(C2CC2)nn1C[C@@H]1CCC[NH2+]C1 ZINC000409439999 350482370 /nfs/dbraw/zinc/48/23/70/350482370.db2.gz RFCGXOVDIZOVJP-SECBINFHSA-N 1 0 220.320 1.342 10 0 BDAERO [NH3+]Cc1cc([C@@H]2CCCO2)nc(C2CC2)n1 ZINC000409440244 350482504 /nfs/dbraw/zinc/48/25/04/350482504.db2.gz WKAVNYDANLTIHZ-NSHDSACASA-N 1 0 219.288 1.664 10 0 BDAERO Cc1nn([C@@H]2CC[NH2+]C2)c(C)c1Br ZINC000051783785 180392270 /nfs/dbraw/zinc/39/22/70/180392270.db2.gz NOAJKUUGOMQEQA-MRVPVSSYSA-N 1 0 244.136 1.797 10 0 BDAERO Cc1nn([C@H]2CCCC[C@H]2O)c(C)c1C[NH3+] ZINC000054599972 180393470 /nfs/dbraw/zinc/39/34/70/180393470.db2.gz JRECXXOAARRFHY-NWDGAFQWSA-N 1 0 223.320 1.435 10 0 BDAERO CCn1ccnc1-c1cnnn1[C@H]1CCC[NH2+]C1 ZINC000725266081 538093957 /nfs/dbraw/zinc/09/39/57/538093957.db2.gz KTIVUFIIBDSARC-JTQLQIEISA-N 1 0 246.318 1.086 10 0 BDAERO COc1cccc(C[N@@H+]2CC[C@@H](CCO)C2)n1 ZINC000227567122 350502043 /nfs/dbraw/zinc/50/20/43/350502043.db2.gz SLRBSOVZSNCLAK-NSHDSACASA-N 1 0 236.315 1.295 10 0 BDAERO [NH3+][C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000227618647 350503764 /nfs/dbraw/zinc/50/37/64/350503764.db2.gz BYRSAVKQQHFGCV-QMMMGPOBSA-N 1 0 241.088 1.123 10 0 BDAERO c1ncc(-c2cnnn2[C@@H]2CCC[NH2+]CC2)s1 ZINC000725266116 538094405 /nfs/dbraw/zinc/09/44/05/538094405.db2.gz NUDDDGBDDWRSIH-SECBINFHSA-N 1 0 249.343 1.716 10 0 BDAERO C[C@@H]1SCCS[C@@H]1[C@@H]([NH3+])C1CC1 ZINC000228105622 350528305 /nfs/dbraw/zinc/52/83/05/350528305.db2.gz HAVTUZBZQWXQLK-XVYDVKMFSA-N 1 0 203.376 1.961 10 0 BDAERO CCn1c(C)nnc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000177099833 365972225 /nfs/dbraw/zinc/97/22/25/365972225.db2.gz MDWQLXOKGKBDFW-NXEZZACHSA-N 1 0 222.336 1.979 10 0 BDAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)C(N)=O ZINC000061676873 350525391 /nfs/dbraw/zinc/52/53/91/350525391.db2.gz DOYYVQNTRCRFNW-DTWKUNHWSA-N 1 0 210.277 1.503 10 0 BDAERO C(C[C@H]1CCOC1)[NH2+]CC[C@@H]1CCCO1 ZINC000220573062 490616486 /nfs/dbraw/zinc/61/64/86/490616486.db2.gz SSTWIPDTKYHWFF-RYUDHWBXSA-N 1 0 213.321 1.572 10 0 BDAERO C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000252649992 538096316 /nfs/dbraw/zinc/09/63/16/538096316.db2.gz XYYDFTBTPMVVPW-HZSPNIEDSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1nnc(S[C@H]2CCC[C@H]2C[NH3+])o1 ZINC000051038337 180440647 /nfs/dbraw/zinc/44/06/47/180440647.db2.gz YXVVRAFVTYDVBJ-YUMQZZPRSA-N 1 0 213.306 1.598 10 0 BDAERO Cc1nnc(SC[C@@H]2CCCC[NH2+]2)o1 ZINC000051038669 180438909 /nfs/dbraw/zinc/43/89/09/180438909.db2.gz XXGQEIFKGVBYLN-QMMMGPOBSA-N 1 0 213.306 1.612 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@@H](n2cccn2)CC1 ZINC000616594536 350596226 /nfs/dbraw/zinc/59/62/26/350596226.db2.gz FQFUEAUINZGXTH-LLVKDONJSA-N 1 0 223.320 1.903 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2cccc(N)n2)CC1 ZINC000616595679 350609195 /nfs/dbraw/zinc/60/91/95/350609195.db2.gz XMERTRQIZZFYQH-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO OCC[N@@H+]1CCO[C@@H](c2ccccc2F)CC1 ZINC000616596470 350634480 /nfs/dbraw/zinc/63/44/80/350634480.db2.gz WDKIMFICOBFBQO-CYBMUJFWSA-N 1 0 239.290 1.581 10 0 BDAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cc[nH]n1 ZINC000616597426 350652608 /nfs/dbraw/zinc/65/26/08/350652608.db2.gz IAEZUBUOZYKLBY-NSHDSACASA-N 1 0 223.320 1.972 10 0 BDAERO [NH3+]CCN1CCCO[C@@H](c2ccc(F)cc2)C1 ZINC000616597998 350654451 /nfs/dbraw/zinc/65/44/51/350654451.db2.gz KOXBKIYQUQEVGL-CYBMUJFWSA-N 1 0 238.306 1.548 10 0 BDAERO CC[N@@H+]1CCOCC[C@H]1c1ccc(CO)cc1 ZINC000616598306 350659635 /nfs/dbraw/zinc/65/96/35/350659635.db2.gz OMLIEKYEKJHUCF-AWEZNQCLSA-N 1 0 235.327 1.962 10 0 BDAERO C[N@@H+]1CCOC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616598804 350689314 /nfs/dbraw/zinc/68/93/14/350689314.db2.gz SECYKORYZZASGG-LBPRGKRZSA-N 1 0 243.310 1.675 10 0 BDAERO CC[N@@H+]1CCCOC[C@@H]1c1ccc(CO)cc1 ZINC000616599003 350700287 /nfs/dbraw/zinc/70/02/87/350700287.db2.gz GRYAVYQMZBYSMU-CQSZACIVSA-N 1 0 235.327 1.962 10 0 BDAERO CC[N@@H+]1CCOCC[C@@H]1c1ccccc1CO ZINC000616599601 350754010 /nfs/dbraw/zinc/75/40/10/350754010.db2.gz SIYIURKUVXRXCO-CQSZACIVSA-N 1 0 235.327 1.962 10 0 BDAERO CNc1cccc([C@H]2COCCCN2CC[NH3+])c1 ZINC000616599615 350754368 /nfs/dbraw/zinc/75/43/68/350754368.db2.gz MEQYHPZKBLKYST-CQSZACIVSA-N 1 0 249.358 1.450 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2cnoc2)CC1 ZINC000616601227 350781755 /nfs/dbraw/zinc/78/17/55/350781755.db2.gz MKIDFPUHPLYZSG-SNVBAGLBSA-N 1 0 210.277 1.236 10 0 BDAERO COc1cccc(C[C@H](C[NH3+])N(C)C)c1 ZINC000041217890 350783883 /nfs/dbraw/zinc/78/38/83/350783883.db2.gz JQAJZFZKXBSTRD-LLVKDONJSA-N 1 0 208.305 1.127 10 0 BDAERO C[NH2+][C@H](C)Cc1ncccc1Br ZINC000063034231 350787415 /nfs/dbraw/zinc/78/74/15/350787415.db2.gz SHUAJBNULBIUDK-SSDOTTSWSA-N 1 0 229.121 1.995 10 0 BDAERO CN1CC[NH2+][C@@H](c2cccc3nnccc32)C1 ZINC000616601864 350787461 /nfs/dbraw/zinc/78/74/61/350787461.db2.gz VJWAKOPQKVLQQN-CYBMUJFWSA-N 1 0 228.299 1.206 10 0 BDAERO [NH3+]CCN1CCCC[C@H](Nc2ccccn2)C1 ZINC000616603252 350788968 /nfs/dbraw/zinc/78/89/68/350788968.db2.gz FBCYQOKGQLZWID-LBPRGKRZSA-N 1 0 234.347 1.307 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@H](c2cn[nH]n2)CC1 ZINC000616602219 350790901 /nfs/dbraw/zinc/79/09/01/350790901.db2.gz UUZOFMPKVPWSNX-SNVBAGLBSA-N 1 0 208.309 1.783 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2cccc(CO)c2)C1 ZINC000616604889 350793432 /nfs/dbraw/zinc/79/34/32/350793432.db2.gz SQYBJYLCKOJEQP-HNNXBMFYSA-N 1 0 249.354 1.741 10 0 BDAERO CCN1CC[NH2+]C[C@H]1c1ccccc1CCO ZINC000616605061 350794122 /nfs/dbraw/zinc/79/41/22/350794122.db2.gz QUPCRMLHUGFBBB-AWEZNQCLSA-N 1 0 234.343 1.188 10 0 BDAERO NC(=O)c1cccc([C@@H]2CCCC[NH2+]C2)c1 ZINC000616605056 350794152 /nfs/dbraw/zinc/79/41/52/350794152.db2.gz GTONAMMFNKBMSD-GFCCVEGCSA-N 1 0 218.300 1.643 10 0 BDAERO CCN1CC[NH2+]C[C@H]1c1cccc2nnccc21 ZINC000616605060 350794280 /nfs/dbraw/zinc/79/42/80/350794280.db2.gz QSPYLBBKFMHVQZ-AWEZNQCLSA-N 1 0 242.326 1.596 10 0 BDAERO [NH3+]CCN1CCC[C@H]1c1ccc2ccnnc2c1 ZINC000616607060 350799231 /nfs/dbraw/zinc/79/92/31/350799231.db2.gz DHBPWRSUCUJGEV-AWEZNQCLSA-N 1 0 242.326 1.725 10 0 BDAERO Nc1ccccc1[C@H]1CCCN1CC[NH3+] ZINC000616608230 350803606 /nfs/dbraw/zinc/80/36/06/350803606.db2.gz NLTBFQVOPSCRBL-GFCCVEGCSA-N 1 0 205.305 1.364 10 0 BDAERO CNc1ccccc1[C@@H]1CCC[N@@H+]1CCO ZINC000616608415 350804250 /nfs/dbraw/zinc/80/42/50/350804250.db2.gz UIOPBXSZTOITKY-ZDUSSCGKSA-N 1 0 220.316 1.858 10 0 BDAERO C[C@H]1SCC[C@@H]1[N@@H+]1CCCN[C@H](C)C1 ZINC000306677736 350832759 /nfs/dbraw/zinc/83/27/59/350832759.db2.gz ZSHBBNBXCIYZQY-MXWKQRLJSA-N 1 0 214.378 1.564 10 0 BDAERO Cc1nn(C)cc1[C@H]([NH3+])[C@H]1CCCS1 ZINC000306679553 350834464 /nfs/dbraw/zinc/83/44/64/350834464.db2.gz ILPXFVTTXNDLNL-ZJUUUORDSA-N 1 0 211.334 1.624 10 0 BDAERO CC1CCC(C[N@H+](C)CCN(C)CCO)CC1 ZINC000623091184 350868079 /nfs/dbraw/zinc/86/80/79/350868079.db2.gz SOUHIPXAPMVTKB-UHFFFAOYSA-N 1 0 242.407 1.669 10 0 BDAERO CC(=O)Nc1ccc([C@@H]2CC[N@H+](CCO)C2)cc1 ZINC000616614888 350841711 /nfs/dbraw/zinc/84/17/11/350841711.db2.gz ZSUGZSCLMDATBP-CYBMUJFWSA-N 1 0 248.326 1.427 10 0 BDAERO CC[C@@H]1CS[C@]2(CC[C@H](C)[NH2+]C2)N1 ZINC000306685803 350842961 /nfs/dbraw/zinc/84/29/61/350842961.db2.gz JJBMLSWYZUWZGY-AEJSXWLSSA-N 1 0 200.351 1.570 10 0 BDAERO CC1(C)CS[C@](C)([C@@H]2CCCO2)[NH2+]1 ZINC000306708375 350856706 /nfs/dbraw/zinc/85/67/06/350856706.db2.gz OFZSFRSGSDMIQH-WCBMZHEXSA-N 1 0 201.335 1.997 10 0 BDAERO OCC[N@@H+]1CCCC[C@H]1c1cccc(CO)c1 ZINC000616616717 350857550 /nfs/dbraw/zinc/85/75/50/350857550.db2.gz VKBFJRDGJPHEOF-AWEZNQCLSA-N 1 0 235.327 1.698 10 0 BDAERO C[C@@]1(CN2C(=O)c3ccccc3C2=O)CC[NH2+]C1 ZINC000306709660 350859318 /nfs/dbraw/zinc/85/93/18/350859318.db2.gz QAFWIUVJJWTRQQ-CQSZACIVSA-N 1 0 244.294 1.282 10 0 BDAERO CC[C@H]1CCC[C@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623090930 350861836 /nfs/dbraw/zinc/86/18/36/350861836.db2.gz GNJPTWYJKQXIFY-KBPBESRZSA-N 1 0 242.407 1.811 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000251894474 350906689 /nfs/dbraw/zinc/90/66/89/350906689.db2.gz SARQSHQOHPQSEF-HRDYMLBCSA-N 1 0 200.351 1.781 10 0 BDAERO C[NH2+][C@]1(C(N)=O)C[C@@H](C)CC[C@H]1C(C)C ZINC000252424439 350911185 /nfs/dbraw/zinc/91/11/85/350911185.db2.gz HGDSNCBKRKUZQZ-JBLDHEPKSA-N 1 0 212.337 1.522 10 0 BDAERO C[C@@H]1OCC[C@H]1[N@H+](C)[C@H]1CCCC(=O)C1 ZINC000252744563 350914533 /nfs/dbraw/zinc/91/45/33/350914533.db2.gz NXLIHPOEHGGNNZ-JBLDHEPKSA-N 1 0 211.305 1.607 10 0 BDAERO CNc1ccc(C2CC[NH+](CCO)CC2)cc1 ZINC000616619060 350925999 /nfs/dbraw/zinc/92/59/99/350925999.db2.gz ABKYQZPDGJSHIF-UHFFFAOYSA-N 1 0 234.343 1.900 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@H]2CCC(=O)C2)CCN1C ZINC000251923594 362987327 /nfs/dbraw/zinc/98/73/27/362987327.db2.gz YQQOGZJDXVTHNV-MNOVXSKESA-N 1 0 210.321 1.134 10 0 BDAERO C[NH2+]C1(C)CCN([S@](=O)C(C)C)CC1 ZINC000306769147 351001815 /nfs/dbraw/zinc/00/18/15/351001815.db2.gz AZJVBRQIZVIVGP-CQSZACIVSA-N 1 0 218.366 1.132 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2ccc(CO)cc2)C1 ZINC000616620777 350945056 /nfs/dbraw/zinc/94/50/56/350945056.db2.gz NIEBNJXKBXGDJD-CQSZACIVSA-N 1 0 234.343 1.317 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@H](CO)CC(F)(F)F ZINC000577610353 366017719 /nfs/dbraw/zinc/01/77/19/366017719.db2.gz FLHZAZOPXOWVMK-YUMQZZPRSA-N 1 0 243.269 1.296 10 0 BDAERO CN1CCC[C@@H](NC(=[NH2+])NCc2ccccc2)C1 ZINC000306779680 351019840 /nfs/dbraw/zinc/01/98/40/351019840.db2.gz YIWHTZQUPIUNBD-CYBMUJFWSA-N 1 0 246.358 1.395 10 0 BDAERO NC1=[NH+]C[C@@H]([C@@H]2CCCO2)N1Cc1ccccc1 ZINC000129260539 351021036 /nfs/dbraw/zinc/02/10/36/351021036.db2.gz VITBGWZGQWBKRH-STQMWFEESA-N 1 0 245.326 1.365 10 0 BDAERO Nc1ncc([C@@H](F)C2CC[NH2+]CC2)s1 ZINC000159896151 351023525 /nfs/dbraw/zinc/02/35/25/351023525.db2.gz WIJDKTKTTQDSBI-QMMMGPOBSA-N 1 0 215.297 1.736 10 0 BDAERO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(C)no1 ZINC000344342760 351035263 /nfs/dbraw/zinc/03/52/63/351035263.db2.gz ATCJYQOKACCSJS-WDEREUQCSA-N 1 0 240.303 1.219 10 0 BDAERO CC1(C)CCCN1[C@@H](C[NH3+])C(F)(F)F ZINC000063065668 351045392 /nfs/dbraw/zinc/04/53/92/351045392.db2.gz PHPKATTZLLFAEW-ZETCQYMHSA-N 1 0 210.243 1.750 10 0 BDAERO C[C@@H](N)[C@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000306773698 351014916 /nfs/dbraw/zinc/01/49/16/351014916.db2.gz UWVWODDDVNXIAG-AEJSXWLSSA-N 1 0 202.367 1.407 10 0 BDAERO [NH3+]CCN1CCC[C@H](Nc2ccccn2)CC1 ZINC000616630492 351103500 /nfs/dbraw/zinc/10/35/00/351103500.db2.gz ZMRMJSJMCPFCKN-LBPRGKRZSA-N 1 0 234.347 1.307 10 0 BDAERO CN1CC[NH2+][C@@H](c2ccc3nnccc3c2)C1 ZINC000616631814 351109214 /nfs/dbraw/zinc/10/92/14/351109214.db2.gz FCAVBIRAMLVASF-CYBMUJFWSA-N 1 0 228.299 1.206 10 0 BDAERO CCN1CC[NH2+][C@H](c2cccc3ccnnc32)C1 ZINC000616632872 351113645 /nfs/dbraw/zinc/11/36/45/351113645.db2.gz RMBXAZMNNRLCFC-ZDUSSCGKSA-N 1 0 242.326 1.596 10 0 BDAERO CN1CC[NH2+][C@@H](c2cccc3ncccc32)C1 ZINC000616632718 351113885 /nfs/dbraw/zinc/11/38/85/351113885.db2.gz YHFFSGFYPKKIQF-CQSZACIVSA-N 1 0 227.311 1.811 10 0 BDAERO CC[N@@H+]1CCN[C@H](c2ccc(NC)cc2)C1 ZINC000616632995 351114696 /nfs/dbraw/zinc/11/46/96/351114696.db2.gz UZKDSFFLUALKTR-ZDUSSCGKSA-N 1 0 219.332 1.695 10 0 BDAERO COC(=O)N1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC000616633320 351115253 /nfs/dbraw/zinc/11/52/53/351115253.db2.gz PQBZDKNYYHXXKI-MRVPVSSYSA-N 1 0 200.282 1.073 10 0 BDAERO CC(C)(C)CC[NH2+][C@H]1CCOC[C@@H]1O ZINC000628466735 358459701 /nfs/dbraw/zinc/45/97/01/358459701.db2.gz HMALSZZUPULRCE-UWVGGRQHSA-N 1 0 201.310 1.162 10 0 BDAERO Cc1occc1CN(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079520287 351071241 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CC(C)N1CC[NH2+]C[C@H]1c1cccc(N)c1 ZINC000616637288 351132090 /nfs/dbraw/zinc/13/20/90/351132090.db2.gz KSFDDYJESSLTIK-ZDUSSCGKSA-N 1 0 219.332 1.624 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1cc2ccccc2cn1 ZINC000616637506 351132382 /nfs/dbraw/zinc/13/23/82/351132382.db2.gz NZDSBMMOAWRPTK-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO COc1cc(C(=O)C2=CC[C@@H]([NH3+])C2)sn1 ZINC000306824751 351133212 /nfs/dbraw/zinc/13/32/12/351133212.db2.gz VCBGUGZHRZMIBH-NKWVEPMBSA-N 1 0 224.285 1.238 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1ccc2ccnnc2c1 ZINC000616637626 351134749 /nfs/dbraw/zinc/13/47/49/351134749.db2.gz PUKNJMIZAAPOMT-CYBMUJFWSA-N 1 0 228.299 1.206 10 0 BDAERO c1cc2ccc([C@@H]3COCC[NH2+]3)cc2cn1 ZINC000616638100 351139104 /nfs/dbraw/zinc/13/91/04/351139104.db2.gz DBEIINAACUSBPM-ZDUSSCGKSA-N 1 0 214.268 1.896 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1cccc(CO)c1 ZINC000616638364 351139196 /nfs/dbraw/zinc/13/91/96/351139196.db2.gz XXLDFUMKGNREPW-CYBMUJFWSA-N 1 0 220.316 1.145 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1OC(F)(F)F 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/nfs/dbraw/zinc/32/15/19/351321519.db2.gz NUTNTRIZTAKSSW-UHFFFAOYSA-N 1 0 245.120 1.960 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1NC(=O)c1cccs1 ZINC000063174084 351268776 /nfs/dbraw/zinc/26/87/76/351268776.db2.gz OYBQNCCRBORULH-JGVFFNPUSA-N 1 0 210.302 1.358 10 0 BDAERO C[NH+](C)CCC(=O)Nc1cnc(Cl)cn1 ZINC000306879268 351272802 /nfs/dbraw/zinc/27/28/02/351272802.db2.gz JJUMOXDHDYCGGZ-UHFFFAOYSA-N 1 0 228.683 1.020 10 0 BDAERO CCc1cc(CC)nc(NC2CC[NH2+]CC2)n1 ZINC000380144218 351365836 /nfs/dbraw/zinc/36/58/36/351365836.db2.gz QOEHYEQQDRSSMI-UHFFFAOYSA-N 1 0 234.347 1.765 10 0 BDAERO C[C@H]1CCSC(NCc2ncon2)=[NH+]1 ZINC000231842827 351405064 /nfs/dbraw/zinc/40/50/64/351405064.db2.gz HIVBJULTSYIBHV-LURJTMIESA-N 1 0 212.278 1.041 10 0 BDAERO N[C@H](CC[NH3+])c1c(Cl)cncc1Cl ZINC000306981847 351400240 /nfs/dbraw/zinc/40/02/40/351400240.db2.gz INOXPNSIWJDYCC-SSDOTTSWSA-N 1 0 220.103 1.737 10 0 BDAERO O=C(CN1CC[NH2+]CC1)c1sccc1Cl ZINC000228813168 351401359 /nfs/dbraw/zinc/40/13/59/351401359.db2.gz 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BDAERO [NH3+]C[C@@H]1CC[C@H]1N1CCC=C(Br)C1 ZINC000404537167 351498158 /nfs/dbraw/zinc/49/81/58/351498158.db2.gz HIYPDWFSUPBEAB-WCBMZHEXSA-N 1 0 245.164 1.708 10 0 BDAERO CSC1([C@H](O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000307147512 351500675 /nfs/dbraw/zinc/50/06/75/351500675.db2.gz OFIZAKXGBZGEDJ-KXUCPTDWSA-N 1 0 215.362 1.631 10 0 BDAERO Clc1ccnc(OC[C@@H]2CCC[NH2+]2)n1 ZINC000095070159 180596957 /nfs/dbraw/zinc/59/69/57/180596957.db2.gz ZQUDWDFMVAWCIV-ZETCQYMHSA-N 1 0 213.668 1.261 10 0 BDAERO C[C@@H]1CSCCN1CC1(C)C[NH2+]C1 ZINC000307088728 351472287 /nfs/dbraw/zinc/47/22/87/351472287.db2.gz NCWIAYWLWFHKBT-SECBINFHSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1Cc1csc(Cl)n1 ZINC000307164826 351527294 /nfs/dbraw/zinc/52/72/94/351527294.db2.gz HSXOKEWRWIKKON-POYBYMJQSA-N 1 0 231.752 1.718 10 0 BDAERO C/C(=C\Cl)CN1CC[NH2+]CC[C@@H]1C ZINC000232014480 351528692 /nfs/dbraw/zinc/52/86/92/351528692.db2.gz YBBRRGXZSIIKJF-PCYYEKQGSA-N 1 0 202.729 1.813 10 0 BDAERO C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C1CCSCC1 ZINC000307211422 351611789 /nfs/dbraw/zinc/61/17/89/351611789.db2.gz NTQPOSCUYBDDHI-WPRPVWTQSA-N 1 0 200.351 1.304 10 0 BDAERO O=[S@@](C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000307183507 351581798 /nfs/dbraw/zinc/58/17/98/351581798.db2.gz YEKFNNKUIASJGC-XPTSAGLGSA-N 1 0 229.370 1.855 10 0 BDAERO CC1(C)SC[C@H]1NC1=[NH+]CCS1 ZINC000307191675 351593761 /nfs/dbraw/zinc/59/37/61/351593761.db2.gz AKSBXFXMTSYBEK-ZCFIWIBFSA-N 1 0 202.348 1.573 10 0 BDAERO Cc1cocc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637813844 351657793 /nfs/dbraw/zinc/65/77/93/351657793.db2.gz FPQWTWYCZGKUFP-ZACCUICWSA-N 1 0 234.299 1.601 10 0 BDAERO Cc1nc([C@H]([NH3+])[C@H]2CO[C@@H](C)C2)cs1 ZINC000307217789 351617217 /nfs/dbraw/zinc/61/72/17/351617217.db2.gz CKQYTJXTQLHVLL-SKWCMTHISA-N 1 0 212.318 1.876 10 0 BDAERO C[C@H](CC(=O)N1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000637798976 351628159 /nfs/dbraw/zinc/62/81/59/351628159.db2.gz PRFCKMSTCTZJJL-SFYZADRCSA-N 1 0 238.253 1.525 10 0 BDAERO 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BDAERO Cc1cocc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000637852164 351711140 /nfs/dbraw/zinc/71/11/40/351711140.db2.gz UBECLZZMTSFLHU-ONGXEEELSA-N 1 0 222.288 1.445 10 0 BDAERO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2C[NH3+])[C@H](C)O1 ZINC000637852715 351712664 /nfs/dbraw/zinc/71/26/64/351712664.db2.gz XJCUNGCDBIUQOM-WTPMCQDGSA-N 1 0 240.347 1.044 10 0 BDAERO CS[C@@H]1CCC[N@@H+]([C@H]2CC[C@H]2C[NH3+])C1 ZINC000307253203 351783808 /nfs/dbraw/zinc/78/38/08/351783808.db2.gz UUGSFUIBMVXFIU-AXFHLTTASA-N 1 0 214.378 1.551 10 0 BDAERO C[C@H](NC(=O)CCC1C[NH2+]C1)c1cccs1 ZINC000637884719 351754126 /nfs/dbraw/zinc/75/41/26/351754126.db2.gz FZWBEKCGBAHDAJ-VIFPVBQESA-N 1 0 238.356 1.925 10 0 BDAERO C[NH+](C)CC1CN(C(=O)OCc2ccccc2)C1 ZINC000307252402 351771518 /nfs/dbraw/zinc/77/15/18/351771518.db2.gz SDEHRBZCQRGQBV-UHFFFAOYSA-N 1 0 248.326 1.817 10 0 BDAERO C[C@@H]1C[C@H](c2c(Br)cnn2C)C[NH2+]1 ZINC000307260794 351806358 /nfs/dbraw/zinc/80/63/58/351806358.db2.gz NQXNHDLUNJNHIM-RQJHMYQMSA-N 1 0 244.136 1.648 10 0 BDAERO [NH3+]CCN(CCOCc1ccccc1)C1CC1 ZINC000307264859 351812731 /nfs/dbraw/zinc/81/27/31/351812731.db2.gz CXMGOCVRDCZWDU-UHFFFAOYSA-N 1 0 234.343 1.626 10 0 BDAERO Cn1cc(COc2ccc(C(N)=[NH2+])cc2F)cn1 ZINC000062566097 180653636 /nfs/dbraw/zinc/65/36/36/180653636.db2.gz WNGXERRWSGWJNE-UHFFFAOYSA-N 1 0 248.261 1.422 10 0 BDAERO CCCC[N@H+](CCO)[C@H]1CCO[C@]12CCOC2 ZINC000725269433 538101590 /nfs/dbraw/zinc/10/15/90/538101590.db2.gz UBINFCICSXMDQK-STQMWFEESA-N 1 0 243.347 1.029 10 0 BDAERO C[C@](O)(c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000307300150 351918163 /nfs/dbraw/zinc/91/81/63/351918163.db2.gz SBLCBRMAIHSVIZ-NSHDSACASA-N 1 0 211.692 1.767 10 0 BDAERO Cc1noc(CC[NH2+][C@H](C)CC(C)C)n1 ZINC000089518820 351963018 /nfs/dbraw/zinc/96/30/18/351963018.db2.gz ZXICURZJQDZKEA-SECBINFHSA-N 1 0 211.309 1.945 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](Cc3ccncc3)C2)cn1 ZINC000130628186 180673100 /nfs/dbraw/zinc/67/31/00/180673100.db2.gz IZYNTKUCWZJZAH-ZDUSSCGKSA-N 1 0 242.326 1.805 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cscc1Cl ZINC000638166057 352030532 /nfs/dbraw/zinc/03/05/32/352030532.db2.gz RDTDFZLJBPITIX-SSDOTTSWSA-N 1 0 244.747 1.741 10 0 BDAERO Cc1cocc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000638167166 352032194 /nfs/dbraw/zinc/03/21/94/352032194.db2.gz BIGWBQNLAXUULC-NHCYSSNCSA-N 1 0 234.299 1.397 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1ncnc2[nH]ccc21 ZINC000420200922 192174403 /nfs/dbraw/zinc/17/44/03/192174403.db2.gz GXLCCFCLXFJKJU-SECBINFHSA-N 1 0 233.319 1.887 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)C(F)(F)F ZINC000638220713 352080028 /nfs/dbraw/zinc/08/00/28/352080028.db2.gz CJKWHTQKDRYINX-RQJHMYQMSA-N 1 0 226.242 1.299 10 0 BDAERO C[C@@H](CC(=O)N1CC[C@H]([NH3+])[C@H]1C)C(F)(F)F ZINC000638233335 352087365 /nfs/dbraw/zinc/08/73/65/352087365.db2.gz FPXNVWLTCRATRY-RNJXMRFFSA-N 1 0 238.253 1.523 10 0 BDAERO Cc1cc(C(=O)[C@H]([NH3+])C(C)C)cnc1C ZINC000307344256 352092801 /nfs/dbraw/zinc/09/28/01/352092801.db2.gz JRQUJQVILHKZES-LLVKDONJSA-N 1 0 206.289 1.864 10 0 BDAERO O[C@@H](c1cc(Cl)cs1)[C@H]1C=CC[NH2+]1 ZINC000307345294 352093945 /nfs/dbraw/zinc/09/39/45/352093945.db2.gz NZJBZXRKRMTLLM-VXNVDRBHSA-N 1 0 215.705 1.963 10 0 BDAERO CC(C)c1nsc(N(C)CCC[NH3+])n1 ZINC000083651097 352220485 /nfs/dbraw/zinc/22/04/85/352220485.db2.gz XOVYTDRKXKVKJM-UHFFFAOYSA-N 1 0 214.338 1.447 10 0 BDAERO [NH3+][C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000725270777 538102649 /nfs/dbraw/zinc/10/26/49/538102649.db2.gz SOCHEDRNQPIVGS-NSHDSACASA-N 1 0 222.263 1.275 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCCC(C)(C)CC1 ZINC000083680525 352337169 /nfs/dbraw/zinc/33/71/69/352337169.db2.gz ASDCXSCSVPBLGJ-SNVBAGLBSA-N 1 0 212.337 1.633 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC2)CC[C@H]1C[NH3+] ZINC000725271387 538102939 /nfs/dbraw/zinc/10/29/39/538102939.db2.gz LJDVEUFGQMUZSV-ONGXEEELSA-N 1 0 210.321 1.230 10 0 BDAERO OC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@]34C[C@@H](CO3)[C@H]24)C1 ZINC000725271164 538103286 /nfs/dbraw/zinc/10/32/86/538103286.db2.gz IDXDNQLTNUDXRX-ITGHMWBKSA-N 1 0 237.343 1.258 10 0 BDAERO CCOC(=O)[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(F)(F)F ZINC000725271457 538103044 /nfs/dbraw/zinc/10/30/44/538103044.db2.gz NKIRDPAVTFXOMW-RNJXMRFFSA-N 1 0 239.237 1.855 10 0 BDAERO CCOC(=O)[C@H](CCCC[NH3+])[C@H]1CCOC1 ZINC000725271908 538103507 /nfs/dbraw/zinc/10/35/07/538103507.db2.gz VTHRDTCWIVIMJT-WDEREUQCSA-N 1 0 229.320 1.331 10 0 BDAERO Cc1ncccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000638601741 352434348 /nfs/dbraw/zinc/43/43/48/352434348.db2.gz PDYIUWDLLFHPAK-PWSUYJOCSA-N 1 0 233.315 1.134 10 0 BDAERO CC[C@@H]1C[S@](=O)C[C@H]([C@H]2C[C@@H]2C)[NH2+]1 ZINC000307362539 352447588 /nfs/dbraw/zinc/44/75/88/352447588.db2.gz IYXPYBQITRYAFY-VNCLEBCXSA-N 1 0 201.335 1.142 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2O)n(C)n1 ZINC000084244424 352466723 /nfs/dbraw/zinc/46/67/23/352466723.db2.gz DIWCZWLMIBJABC-NWDGAFQWSA-N 1 0 223.320 1.122 10 0 BDAERO C[C@H]1SCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000307387741 352547309 /nfs/dbraw/zinc/54/73/09/352547309.db2.gz DZVJRZMSSISVJV-KXUCPTDWSA-N 1 0 201.335 1.649 10 0 BDAERO C[C@@H]1CCC[N@H+](CCC(N)=S)[C@H]1C ZINC000252172604 363190479 /nfs/dbraw/zinc/19/04/79/363190479.db2.gz OHBHENDPIBDJRU-BDAKNGLRSA-N 1 0 200.351 1.783 10 0 BDAERO CN(Cc1ccccc1)C(=O)[C@@H](F)C1C[NH2+]C1 ZINC000307421721 352590753 /nfs/dbraw/zinc/59/07/53/352590753.db2.gz MSQLRARXOVMALT-LBPRGKRZSA-N 1 0 236.290 1.203 10 0 BDAERO COC(C)(C)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000307426281 352593200 /nfs/dbraw/zinc/59/32/00/352593200.db2.gz FQGTXRBOFHUIAO-CYBMUJFWSA-N 1 0 236.359 1.871 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCSCC[C@H]1C ZINC000307442466 352597236 /nfs/dbraw/zinc/59/72/36/352597236.db2.gz AGPVOFCLNNAPQB-HTQZYQBOSA-N 1 0 218.391 1.488 10 0 BDAERO [NH3+]CC[C@H](O)c1nscc1Br ZINC000404870112 352602229 /nfs/dbraw/zinc/60/22/29/352602229.db2.gz TZSZKOUXCNRUPR-YFKPBYRVSA-N 1 0 237.122 1.288 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1 ZINC000232307296 352611912 /nfs/dbraw/zinc/61/19/12/352611912.db2.gz GELYMCHDIRRXPT-AAEUAGOBSA-N 1 0 247.342 1.708 10 0 BDAERO CCC[NH2+]CCOC(=O)NCc1ccccc1 ZINC000232308545 352614422 /nfs/dbraw/zinc/61/44/22/352614422.db2.gz UEMJJICCFBGKCL-UHFFFAOYSA-N 1 0 236.315 1.912 10 0 BDAERO Cc1nc(C2([NH3+])CCC2)ncc1Br ZINC000307465931 352615370 /nfs/dbraw/zinc/61/53/70/352615370.db2.gz JDJUBKPNSWCSLU-UHFFFAOYSA-N 1 0 242.120 1.885 10 0 BDAERO C[C@H]([NH3+])c1nscc1Br ZINC000404817010 352569128 /nfs/dbraw/zinc/56/91/28/352569128.db2.gz QJEFNDJZEKYERP-VKHMYHEASA-N 1 0 207.096 1.925 10 0 BDAERO CS[C@H]1CCCN(C2(C[NH3+])CC2)CC1 ZINC000300792973 352574200 /nfs/dbraw/zinc/57/42/00/352574200.db2.gz DHYMMXQRVGEGSQ-JTQLQIEISA-N 1 0 214.378 1.695 10 0 BDAERO CCNC(=[NH2+])Nc1cncc(Br)c1 ZINC000300798621 352575087 /nfs/dbraw/zinc/57/50/87/352575087.db2.gz CQQIZLONUNNIBU-UHFFFAOYSA-N 1 0 243.108 1.800 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC1(C(F)F)CC1 ZINC000638726389 352584570 /nfs/dbraw/zinc/58/45/70/352584570.db2.gz PRLYUNNGWCGNOV-ZCFIWIBFSA-N 1 0 206.236 1.028 10 0 BDAERO C[NH2+]C[C@@]1([C@@H]2CCOC2)CCCS1 ZINC000307535895 352640236 /nfs/dbraw/zinc/64/02/36/352640236.db2.gz SFSDFVGQNJPIRX-NXEZZACHSA-N 1 0 201.335 1.508 10 0 BDAERO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(N)=S ZINC000307554996 352648909 /nfs/dbraw/zinc/64/89/09/352648909.db2.gz XKASLFNCCJMXPI-NSHDSACASA-N 1 0 249.383 1.436 10 0 BDAERO C[C@@H]1CSCCN(C2=[NH+]CCCN2)C1 ZINC000307557338 352649315 /nfs/dbraw/zinc/64/93/15/352649315.db2.gz BUKZUJQTXRVBDL-VIFPVBQESA-N 1 0 213.350 1.021 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N1CCC[C@H](O)CC1 ZINC000307556684 352649517 /nfs/dbraw/zinc/64/95/17/352649517.db2.gz OTUADESNHHSXPO-ZDUSSCGKSA-N 1 0 247.342 1.558 10 0 BDAERO C[C@H]1CC(Cc2csnn2)=C[C@H]([NH3+])C1 ZINC000307572952 352658206 /nfs/dbraw/zinc/65/82/06/352658206.db2.gz ZKNRWTPCNPZAFR-IONNQARKSA-N 1 0 209.318 1.764 10 0 BDAERO CC[NH2+]Cc1cnc(NC)c(Br)c1 ZINC000307577542 352659035 /nfs/dbraw/zinc/65/90/35/352659035.db2.gz MDHYMVUMBVSHSR-UHFFFAOYSA-N 1 0 244.136 1.995 10 0 BDAERO CC[N@@H+]1CC[C@@]2(C1)NC[C@H](C)CS2 ZINC000307599701 352666093 /nfs/dbraw/zinc/66/60/93/352666093.db2.gz RJGPOSLIGCPNKZ-VHSXEESVSA-N 1 0 200.351 1.381 10 0 BDAERO CNC(=[NH2+])N1CCN(Cc2ccccc2)C[C@H]1C ZINC000307599313 352666201 /nfs/dbraw/zinc/66/62/01/352666201.db2.gz QVTLTHRQIQCQDP-GFCCVEGCSA-N 1 0 246.358 1.347 10 0 BDAERO [NH3+][C@]1(Cc2coc(Br)c2)CCOC1 ZINC000307501257 352629646 /nfs/dbraw/zinc/62/96/46/352629646.db2.gz UYHPJPPAICJKAM-VIFPVBQESA-N 1 0 246.104 1.702 10 0 BDAERO Cc1ccc([C@@]2(C[NH3+])CCCS2)nn1 ZINC000307520857 352635388 /nfs/dbraw/zinc/63/53/88/352635388.db2.gz RQQVIPYYSUATDT-JTQLQIEISA-N 1 0 209.318 1.466 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@H]1CCC[C@H]1O ZINC000253129556 538104999 /nfs/dbraw/zinc/10/49/99/538104999.db2.gz UXNXVIHVTPJRMU-GMTAPVOTSA-N 1 0 201.310 1.020 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC2(CC2)CC1 ZINC000638756595 352687264 /nfs/dbraw/zinc/68/72/64/352687264.db2.gz OVWGDAUWVQUVMK-VXGBXAGGSA-N 1 0 236.359 1.635 10 0 BDAERO CCC(CC)[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000304258587 352727379 /nfs/dbraw/zinc/72/73/79/352727379.db2.gz SQAZMTYAUMHGOF-RYUDHWBXSA-N 1 0 231.380 1.780 10 0 BDAERO Cn1cnnc1S[C@H]1CCC[C@@H]1C[NH3+] ZINC000035724108 180797389 /nfs/dbraw/zinc/79/73/89/180797389.db2.gz AXSOKRCCMSOPHS-SFYZADRCSA-N 1 0 212.322 1.035 10 0 BDAERO O=C(NC[C@@H]1CCCC12CC2)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638795271 352884364 /nfs/dbraw/zinc/88/43/64/352884364.db2.gz NWGCHCMJIFMNOP-GARJFASQSA-N 1 0 240.322 1.383 10 0 BDAERO O=C(NC[C@H]1CCCC12CC2)[C@H]1CC[NH2+]C1 ZINC000638795166 352884882 /nfs/dbraw/zinc/88/48/82/352884882.db2.gz MPJHSDOQRDGBQA-WDEREUQCSA-N 1 0 222.332 1.292 10 0 BDAERO CO[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000638809766 352988537 /nfs/dbraw/zinc/98/85/37/352988537.db2.gz XPNWQNLYIMGYDB-NNYUYHANSA-N 1 0 240.347 1.045 10 0 BDAERO CCc1nn(C)cc1C[NH2+]Cc1ccc(O)cc1 ZINC000092386200 538106742 /nfs/dbraw/zinc/10/67/42/538106742.db2.gz XEHZKOVJBRRBDM-UHFFFAOYSA-N 1 0 245.326 1.978 10 0 BDAERO CC[C@](C)(NC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000638858393 353034923 /nfs/dbraw/zinc/03/49/23/353034923.db2.gz OTKPXBSNSQPREH-CABZTGNLSA-N 1 0 210.321 1.291 10 0 BDAERO CC[C@@](C)(NC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000638858392 353034961 /nfs/dbraw/zinc/03/49/61/353034961.db2.gz OTKPXBSNSQPREH-BXKDBHETSA-N 1 0 210.321 1.291 10 0 BDAERO CC[C@](C)(NC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000638858781 353035636 /nfs/dbraw/zinc/03/56/36/353035636.db2.gz VSDWYLPNQPMSLL-GWCFXTLKSA-N 1 0 224.348 1.681 10 0 BDAERO O=C(N[C@@H]1CCCC12CC2)[C@H]1CC[NH2+]C1 ZINC000638831437 353011290 /nfs/dbraw/zinc/01/12/90/353011290.db2.gz LHDKPLUYXSJJFG-VHSXEESVSA-N 1 0 208.305 1.045 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@@H]1C[NH3+] ZINC000638905290 353060572 /nfs/dbraw/zinc/06/05/72/353060572.db2.gz SPOHZNACZKWNCO-WOPDTQHZSA-N 1 0 222.332 1.396 10 0 BDAERO OC1(c2c(F)cccc2Cl)C[NH2+]C1 ZINC000307359973 353070812 /nfs/dbraw/zinc/07/08/12/353070812.db2.gz GCSZCQHRPBRKOP-UHFFFAOYSA-N 1 0 201.628 1.270 10 0 BDAERO CCC1(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000638916146 353071223 /nfs/dbraw/zinc/07/12/23/353071223.db2.gz RFLBZUHNBOZTLY-NXEZZACHSA-N 1 0 210.321 1.230 10 0 BDAERO C[C@H]1CN(C(=O)C2(C)CCC2)C[C@H]1C[NH3+] ZINC000638913331 353071257 /nfs/dbraw/zinc/07/12/57/353071257.db2.gz LOUWGMMSRWRNHB-VHSXEESVSA-N 1 0 210.321 1.230 10 0 BDAERO C[C@@H]1CN(C(=O)C2(C)CCC2)C[C@@H]1C[NH3+] ZINC000638913332 353071262 /nfs/dbraw/zinc/07/12/62/353071262.db2.gz LOUWGMMSRWRNHB-ZJUUUORDSA-N 1 0 210.321 1.230 10 0 BDAERO C/C=C/COCCn1cc(C[NH2+]C(C)C)nn1 ZINC000052594734 187954231 /nfs/dbraw/zinc/95/42/31/187954231.db2.gz XSOHNYGXMNTTSN-SNAWJCMRSA-N 1 0 238.335 1.369 10 0 BDAERO CCC(C)(C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638866730 353040317 /nfs/dbraw/zinc/04/03/17/353040317.db2.gz SLVQENQZCRGHDT-LLVKDONJSA-N 1 0 242.363 1.165 10 0 BDAERO C[C@@H]1CC[C@H](CN=S(C)(C)=O)C[NH2+]1 ZINC000306987588 353049034 /nfs/dbraw/zinc/04/90/34/353049034.db2.gz QGAKPRRASORYOM-BDAKNGLRSA-N 1 0 204.339 1.102 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1C[NH3+] ZINC000638887833 353049590 /nfs/dbraw/zinc/04/95/90/353049590.db2.gz PUVIEGIZIYUMNF-PSASIEDQSA-N 1 0 224.329 1.415 10 0 BDAERO Cc1cccc(CC(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638887605 353049617 /nfs/dbraw/zinc/04/96/17/353049617.db2.gz LLMLZCBVWQKECT-GXTWGEPZSA-N 1 0 246.354 1.591 10 0 BDAERO Cc1cc(C)cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638884149 353051510 /nfs/dbraw/zinc/05/15/10/353051510.db2.gz FSKWEGXAWZFURK-TZMCWYRMSA-N 1 0 246.354 1.970 10 0 BDAERO Cc1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c(C)o1 ZINC000638884237 353051617 /nfs/dbraw/zinc/05/16/17/353051617.db2.gz GMCDGGNYIBPKPN-GZMMTYOYSA-N 1 0 236.315 1.563 10 0 BDAERO Cc1ccccc1CC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638885285 353052080 /nfs/dbraw/zinc/05/20/80/353052080.db2.gz MZGBGEOLQMVMOO-TZMCWYRMSA-N 1 0 246.354 1.591 10 0 BDAERO CC[C@H](CC[NH3+])C(=O)NCc1ccc(C)cc1 ZINC000076616412 187964892 /nfs/dbraw/zinc/96/48/92/187964892.db2.gz CNXRFSSYHGQUPI-CYBMUJFWSA-N 1 0 234.343 1.986 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000638886733 353053113 /nfs/dbraw/zinc/05/31/13/353053113.db2.gz RXVQXYRQHLQLEY-JSGCOSHPSA-N 1 0 246.354 1.970 10 0 BDAERO COc1ccccc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638886723 353053568 /nfs/dbraw/zinc/05/35/68/353053568.db2.gz RRBUTHPJZFPHJG-WDEREUQCSA-N 1 0 248.326 1.362 10 0 BDAERO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000638894341 353055259 /nfs/dbraw/zinc/05/52/59/353055259.db2.gz OSMNURIVKRIAAT-FXPVBKGRSA-N 1 0 210.321 1.086 10 0 BDAERO C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C[NH3+] ZINC000638894881 353056084 /nfs/dbraw/zinc/05/60/84/353056084.db2.gz WWPYIOXOKCQDAK-IONNQARKSA-N 1 0 232.274 1.085 10 0 BDAERO Cc1ccc(O)c(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638895816 353056638 /nfs/dbraw/zinc/05/66/38/353056638.db2.gz VDUVAACAQMZOKG-QWRGUYRKSA-N 1 0 248.326 1.367 10 0 BDAERO CC[C@@H]1CN(Cc2ccncc2)[C@H](C)C[NH2+]1 ZINC000082936477 187968484 /nfs/dbraw/zinc/96/84/84/187968484.db2.gz FPLKZUHUIIANFQ-DGCLKSJQSA-N 1 0 219.332 1.654 10 0 BDAERO C[C@@H]1CCN[C@]2(CCC[NH2+][C@@H]2C)S1 ZINC000307722139 353111138 /nfs/dbraw/zinc/11/11/38/353111138.db2.gz XYGHURDMKPRWNH-OPRDCNLKSA-N 1 0 200.351 1.570 10 0 BDAERO C1=CO[C@H](C[NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000300363404 187986093 /nfs/dbraw/zinc/98/60/93/187986093.db2.gz FDXKVMANMJCJPY-AVGNSLFASA-N 1 0 223.316 1.836 10 0 BDAERO COC[C@@H]1CC[C@H]([C@H]2CCCCC[NH2+]2)O1 ZINC000307560041 353084476 /nfs/dbraw/zinc/08/44/76/353084476.db2.gz HADJJMAYRCMFHN-QJPTWQEYSA-N 1 0 213.321 1.713 10 0 BDAERO CC(C)Cn1ncc2cc(CC[NH3+])cnc21 ZINC000020314777 188005853 /nfs/dbraw/zinc/00/58/53/188005853.db2.gz ZLGTWVFVYZAESJ-UHFFFAOYSA-N 1 0 218.304 1.589 10 0 BDAERO Brc1ccc(NCC2C[NH2+]C2)nc1 ZINC000307736328 353121948 /nfs/dbraw/zinc/12/19/48/353121948.db2.gz ZZEZGDOZHHSIMQ-UHFFFAOYSA-N 1 0 242.120 1.475 10 0 BDAERO CC[C@@H]1CC[NH2+][C@H]([C@@](C)(F)[C@H](C)N)C1 ZINC000307738218 353122562 /nfs/dbraw/zinc/12/25/62/353122562.db2.gz WHOXIXUPOIFJBN-VLEAKVRGSA-N 1 0 202.317 1.840 10 0 BDAERO COc1ccc(C[C@H](C)[NH3+])c2c1OCO2 ZINC000027753670 188010198 /nfs/dbraw/zinc/01/01/98/188010198.db2.gz CLRZDDLQTLKYFH-ZETCQYMHSA-N 1 0 209.245 1.314 10 0 BDAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1CC(F)(F)F ZINC000062611451 188013365 /nfs/dbraw/zinc/01/33/65/188013365.db2.gz OIQNOGWLWRNHGZ-IUCAKERBSA-N 1 0 224.270 1.867 10 0 BDAERO Cn1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000268636779 188023755 /nfs/dbraw/zinc/02/37/55/188023755.db2.gz QKAXLQLOYNBBCR-CYBMUJFWSA-N 1 0 247.342 1.335 10 0 BDAERO C[NH2+][C@@H]1CCC[C@@H]([S@@](=O)C(C)C)C1 ZINC000218757109 353151824 /nfs/dbraw/zinc/15/18/24/353151824.db2.gz REQQWQXJMZVLGJ-BREBYQMCSA-N 1 0 203.351 1.674 10 0 BDAERO C[C@H]1C[NH+]=C(S[C@H]2CCSC2)N1 ZINC000405251720 353152095 /nfs/dbraw/zinc/15/20/95/353152095.db2.gz KCKTUNMHTYRUMH-BQBZGAKWSA-N 1 0 202.348 1.573 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@]23C[C@@H]2CCCC3)C1 ZINC000638974638 353180556 /nfs/dbraw/zinc/18/05/56/353180556.db2.gz STWRSEYIGHQXAH-FMSGJZPZSA-N 1 0 236.359 1.953 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@]23C[C@H]2CCCC3)CC1 ZINC000638978224 353183731 /nfs/dbraw/zinc/18/37/31/353183731.db2.gz YFVLXSNNNOIYMF-YFTKGUKSSA-N 1 0 236.359 1.953 10 0 BDAERO O=C1CC[C@H](C[NH2+]Cc2ccc(F)cc2F)N1 ZINC000079928913 538111268 /nfs/dbraw/zinc/11/12/68/538111268.db2.gz RNBQKDTVDBHAHC-SNVBAGLBSA-N 1 0 240.253 1.333 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cs1 ZINC000638994277 353226198 /nfs/dbraw/zinc/22/61/98/353226198.db2.gz LMPLZFIAWQQVBG-GMSGAONNSA-N 1 0 224.329 1.851 10 0 BDAERO COC[C@H](C)C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000225693602 538113809 /nfs/dbraw/zinc/11/38/09/538113809.db2.gz YBHYGGGLRIWPRA-OUAUKWLOSA-N 1 0 201.310 1.162 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1Sc1ncnn1C ZINC000128124079 353283221 /nfs/dbraw/zinc/28/32/21/353283221.db2.gz DJFMTRVACLGTIU-JGVFFNPUSA-N 1 0 212.322 1.048 10 0 BDAERO Cc1ccncc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000135450519 538115438 /nfs/dbraw/zinc/11/54/38/538115438.db2.gz QMKZOAVALVNCEO-OLZOCXBDSA-N 1 0 220.316 1.783 10 0 BDAERO CC(C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190436970 353358653 /nfs/dbraw/zinc/35/86/53/353358653.db2.gz QMLSKSFUNDWBFT-JTQLQIEISA-N 1 0 210.321 1.385 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH3+] ZINC000216553022 538115582 /nfs/dbraw/zinc/11/55/82/538115582.db2.gz ATSBZGYRUFOVCK-NXEZZACHSA-N 1 0 228.336 1.838 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(N)=O ZINC000192353357 353547635 /nfs/dbraw/zinc/54/76/35/353547635.db2.gz PFGWXBOCXKVISI-RYUDHWBXSA-N 1 0 248.326 1.623 10 0 BDAERO Fc1ccc(C2(N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000215641528 353517355 /nfs/dbraw/zinc/51/73/55/353517355.db2.gz UEQQIFNGEKXDPV-GFCCVEGCSA-N 1 0 220.291 1.766 10 0 BDAERO CN(C(=O)[C@H]1CCCS1)[C@H]1CCC[NH2+]CC1 ZINC000231478510 353606326 /nfs/dbraw/zinc/60/63/26/353606326.db2.gz JSMRHPUBEOIJNH-WDEREUQCSA-N 1 0 242.388 1.483 10 0 BDAERO C/C(=C\Cl)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000232008581 353679766 /nfs/dbraw/zinc/67/97/66/353679766.db2.gz GOBPGCWLTXNGGG-HDXDTZNISA-N 1 0 202.729 1.811 10 0 BDAERO Fc1cccc(F)c1CCN1CC[NH2+]CC1 ZINC000083049595 181000205 /nfs/dbraw/zinc/00/02/05/181000205.db2.gz ZHDJHAZUOGHNKS-UHFFFAOYSA-N 1 0 226.270 1.413 10 0 BDAERO Cc1cnc(C)c(NCCC[NH2+]C(C)C)n1 ZINC000563875979 353725774 /nfs/dbraw/zinc/72/57/74/353725774.db2.gz PUOIBBPITSBUKZ-UHFFFAOYSA-N 1 0 222.336 1.893 10 0 BDAERO Fc1ccccc1-c1cc2n(n1)CC[NH2+]C2 ZINC000084483867 181009662 /nfs/dbraw/zinc/00/96/62/181009662.db2.gz KPVKUVYMDNAFLG-UHFFFAOYSA-N 1 0 217.247 1.792 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C ZINC000129593062 353738836 /nfs/dbraw/zinc/73/88/36/353738836.db2.gz GKRKYGYATPRCTO-YPMHNXCESA-N 1 0 204.317 1.869 10 0 BDAERO Fc1cnc(Cl)nc1NC1CC[NH2+]CC1 ZINC000095934364 181017498 /nfs/dbraw/zinc/01/74/98/181017498.db2.gz MMCJKMLVJBAKAA-UHFFFAOYSA-N 1 0 230.674 1.433 10 0 BDAERO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000343699661 353966498 /nfs/dbraw/zinc/96/64/98/353966498.db2.gz UWYZYNCOKNHCQM-IJLUTSLNSA-N 1 0 245.363 1.177 10 0 BDAERO Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccn1 ZINC000630078597 363282583 /nfs/dbraw/zinc/28/25/83/363282583.db2.gz URQKTZNSQBBMPI-MFKMUULPSA-N 1 0 219.332 1.417 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](CCO)C2)O1 ZINC000232031616 363359977 /nfs/dbraw/zinc/35/99/77/363359977.db2.gz MJMQKVVWWQLUDG-GRYCIOLGSA-N 1 0 213.321 1.258 10 0 BDAERO CO[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113227224 354266065 /nfs/dbraw/zinc/26/60/65/354266065.db2.gz VCEVAFYRDQKWAI-QJPTWQEYSA-N 1 0 240.347 1.107 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCC1 ZINC000113225270 354253659 /nfs/dbraw/zinc/25/36/59/354253659.db2.gz OZNHVGCDJFYNBN-CMPLNLGQSA-N 1 0 222.332 1.482 10 0 BDAERO CC(C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113223612 354257026 /nfs/dbraw/zinc/25/70/26/354257026.db2.gz IHTPGXTVOXUDLL-VXGBXAGGSA-N 1 0 224.348 1.728 10 0 BDAERO CCO[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113224463 354260315 /nfs/dbraw/zinc/26/03/15/354260315.db2.gz WHZNGZKMLKIIOH-TUAOUCFPSA-N 1 0 240.347 1.107 10 0 BDAERO CCOCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113227077 354272093 /nfs/dbraw/zinc/27/20/93/354272093.db2.gz LCDHARDNRXGMRX-RYUDHWBXSA-N 1 0 240.347 1.108 10 0 BDAERO CC(C)COCC[N@@H+]1CC[C@H](CCO)C1 ZINC000232673577 363378151 /nfs/dbraw/zinc/37/81/51/363378151.db2.gz HTMJVKJBBVVZFS-GFCCVEGCSA-N 1 0 215.337 1.363 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000040502090 358493119 /nfs/dbraw/zinc/49/31/19/358493119.db2.gz UOZSDBURTHMMBA-CYBMUJFWSA-N 1 0 219.332 1.656 10 0 BDAERO O=C(Nc1cc(Cl)ccn1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000335239644 355101694 /nfs/dbraw/zinc/10/16/94/355101694.db2.gz MGZXUVNCNIJFDV-JGVFFNPUSA-N 1 0 243.669 1.374 10 0 BDAERO CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000413030504 191352246 /nfs/dbraw/zinc/35/22/46/191352246.db2.gz HIIGNURRZOPMKE-VHSXEESVSA-N 1 0 213.325 1.178 10 0 BDAERO Cc1occc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235674176 363449567 /nfs/dbraw/zinc/44/95/67/363449567.db2.gz LFZOYYNTEUVGIQ-OIBJUYFYSA-N 1 0 208.261 1.007 10 0 BDAERO Nc1nc(CC(=[NH2+])NCc2ccco2)cs1 ZINC000026470195 181185698 /nfs/dbraw/zinc/18/56/98/181185698.db2.gz ZARUXKYFBZBMPI-UHFFFAOYSA-N 1 0 236.300 1.628 10 0 BDAERO NC(=[NH2+])COc1ccc(Br)cc1F ZINC000054009843 181186571 /nfs/dbraw/zinc/18/65/71/181186571.db2.gz CFJTXBRINSMLKQ-UHFFFAOYSA-N 1 0 247.067 1.903 10 0 BDAERO [NH3+][C@@H]1CCO[C@H]1c1ncc(Cl)s1 ZINC000223333861 355370070 /nfs/dbraw/zinc/37/00/70/355370070.db2.gz BMAFJMLRUJSSMO-INEUFUBQSA-N 1 0 204.682 1.585 10 0 BDAERO NC(=[NH2+])c1ccc(CCc2c[nH]cn2)cc1 ZINC000026379099 181193598 /nfs/dbraw/zinc/19/35/98/181193598.db2.gz OHGZJPSNTVYDHQ-UHFFFAOYSA-N 1 0 214.272 1.479 10 0 BDAERO CC[C@@H]1C[NH2+]CC[C@@]12NCCCS2 ZINC000229823263 355419295 /nfs/dbraw/zinc/41/92/95/355419295.db2.gz PIEFSPJPZJWQET-ZJUUUORDSA-N 1 0 200.351 1.429 10 0 BDAERO NC(=[NH2+])c1cc(F)ccc1OC[C@H]1CCCO1 ZINC000104241255 181193624 /nfs/dbraw/zinc/19/36/24/181193624.db2.gz WMAGVDUCFRSRPF-SECBINFHSA-N 1 0 238.262 1.668 10 0 BDAERO NC(=[NH2+])c1cccnc1OCc1ccccc1 ZINC000019479245 181196413 /nfs/dbraw/zinc/19/64/13/181196413.db2.gz WRYTZXYTGGNCJO-UHFFFAOYSA-N 1 0 227.267 1.945 10 0 BDAERO NC(=[NH2+])c1ccccc1OCc1ccncc1 ZINC000019486166 181195944 /nfs/dbraw/zinc/19/59/44/181195944.db2.gz GNXACELHKOMRQS-UHFFFAOYSA-N 1 0 227.267 1.945 10 0 BDAERO [NH3+][C@H](Cc1cncs1)c1cncnc1 ZINC000229834653 355485943 /nfs/dbraw/zinc/48/59/43/355485943.db2.gz JJQBRALARWYBLY-SECBINFHSA-N 1 0 206.274 1.176 10 0 BDAERO NNC(=[NH2+])c1ccc2c(c1)CCCS2 ZINC000077300785 181198776 /nfs/dbraw/zinc/19/87/76/181198776.db2.gz PPJYUJVBXOZUSJ-UHFFFAOYSA-N 1 0 207.302 1.514 10 0 BDAERO [NH2+]=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)NC1CCCC1 ZINC000249985708 181197476 /nfs/dbraw/zinc/19/74/76/181197476.db2.gz ZDCSKTCWWOIFEB-UTUOFQBUSA-N 1 0 237.347 1.610 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000389069142 355606340 /nfs/dbraw/zinc/60/63/40/355606340.db2.gz LWCMFWQSUDNILN-XQQFMLRXSA-N 1 0 226.364 1.485 10 0 BDAERO NC(=O)[C@H]1CCC[N@@H+]1CC1CCC(=O)CC1 ZINC000329672234 181205407 /nfs/dbraw/zinc/20/54/07/181205407.db2.gz NLGQOYQGEIOEBK-LLVKDONJSA-N 1 0 224.304 1.745 10 0 BDAERO COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)on1 ZINC000639326305 355726038 /nfs/dbraw/zinc/72/60/38/355726038.db2.gz QQEYJKCZOGOWRG-JMJZKYOTSA-N 1 0 222.288 1.961 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000425372673 191826624 /nfs/dbraw/zinc/82/66/24/191826624.db2.gz UBVBNKGKNBGEEJ-AXFHLTTASA-N 1 0 214.378 1.564 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2cncn2CC)C1 ZINC000389198493 355841360 /nfs/dbraw/zinc/84/13/60/355841360.db2.gz YBEASYWKCOBHTG-NSHDSACASA-N 1 0 222.336 1.087 10 0 BDAERO C[C@H]1C[C@@H]([NH2+]Cc2cccs2)CN1C ZINC000129682264 355867610 /nfs/dbraw/zinc/86/76/10/355867610.db2.gz ITWANVIRMGPACJ-VHSXEESVSA-N 1 0 210.346 1.930 10 0 BDAERO NC(=O)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000061559693 181223314 /nfs/dbraw/zinc/22/33/14/181223314.db2.gz VFIKPXILDGTJFS-UHFFFAOYSA-N 1 0 224.348 1.908 10 0 BDAERO NC(=O)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036840673 181235527 /nfs/dbraw/zinc/23/55/27/181235527.db2.gz PNLNPPXOPNEDJA-UHFFFAOYSA-N 1 0 222.263 1.147 10 0 BDAERO NC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000037186895 181251004 /nfs/dbraw/zinc/25/10/04/181251004.db2.gz CJCUYQKGHXIMLU-UHFFFAOYSA-N 1 0 211.309 1.062 10 0 BDAERO C[C@@H](CCCC[NH3+])Nc1ncnc2[nH]ccc21 ZINC000420265579 192192445 /nfs/dbraw/zinc/19/24/45/192192445.db2.gz WEJLLMXNQOWWLT-VIFPVBQESA-N 1 0 233.319 1.887 10 0 BDAERO CCCN(c1ncnc2[nH]ccc21)[C@@H]1CC[NH2+]C1 ZINC000420219084 192193806 /nfs/dbraw/zinc/19/38/06/192193806.db2.gz OIFOETQNFRMIIM-SNVBAGLBSA-N 1 0 245.330 1.536 10 0 BDAERO NC(=O)Nc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038041370 181262581 /nfs/dbraw/zinc/26/25/81/181262581.db2.gz QMZTYAWOSJNAPN-UHFFFAOYSA-N 1 0 234.303 1.341 10 0 BDAERO CCC(F)(F)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000639479863 356292548 /nfs/dbraw/zinc/29/25/48/356292548.db2.gz CJIGAYDDGITYGV-SNVBAGLBSA-N 1 0 218.291 1.812 10 0 BDAERO NC(=O)[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000037460184 181264413 /nfs/dbraw/zinc/26/44/13/181264413.db2.gz FEMRCMIBYDSIIU-NSHDSACASA-N 1 0 200.241 1.325 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCC1)c1cccnc1 ZINC000037968954 181264453 /nfs/dbraw/zinc/26/44/53/181264453.db2.gz QPXCUSCSYCMKGE-NSHDSACASA-N 1 0 219.288 1.140 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCCCC1)c1cccnc1 ZINC000037970635 181264968 /nfs/dbraw/zinc/26/49/68/181264968.db2.gz TXYLSHRNXNAUAI-ZDUSSCGKSA-N 1 0 247.342 1.920 10 0 BDAERO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc2c1NCC2 ZINC000130476802 181271192 /nfs/dbraw/zinc/27/11/92/181271192.db2.gz WIZIYWZKCWJLJE-LBPRGKRZSA-N 1 0 245.326 1.104 10 0 BDAERO C[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1[NH3+] ZINC000420357594 192219031 /nfs/dbraw/zinc/21/90/31/192219031.db2.gz DNJGCKDSVOOIDV-WOPDTQHZSA-N 1 0 212.337 1.225 10 0 BDAERO Cc1cccc2[nH]c(=O)n(C3CC[NH2+]CC3)c21 ZINC000139627205 356439090 /nfs/dbraw/zinc/43/90/90/356439090.db2.gz AFQMHOLABZKCFE-UHFFFAOYSA-N 1 0 231.299 1.563 10 0 BDAERO NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@@H]1CC=CCC1 ZINC000037941329 181278844 /nfs/dbraw/zinc/27/88/44/181278844.db2.gz OKJOSENXJYHKNK-ZIAGYGMSSA-N 1 0 244.338 1.986 10 0 BDAERO CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000247076421 535317403 /nfs/dbraw/zinc/31/74/03/535317403.db2.gz YVXWOHHTEHLAKH-QWRGUYRKSA-N 1 0 210.321 1.482 10 0 BDAERO Cc1cocc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630089672 363488953 /nfs/dbraw/zinc/48/89/53/363488953.db2.gz GGJXKOBHZNAOGN-SCZZXKLOSA-N 1 0 222.288 1.255 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639669974 356583474 /nfs/dbraw/zinc/58/34/74/356583474.db2.gz FOQNQILGGACMNQ-IJLUTSLNSA-N 1 0 227.348 1.504 10 0 BDAERO COc1cccnc1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000630091494 363509774 /nfs/dbraw/zinc/50/97/74/363509774.db2.gz HILCHVDEEPNSKK-ZJUUUORDSA-N 1 0 221.304 1.643 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCCN(CCO)C2)cc1 ZINC000384380789 356633245 /nfs/dbraw/zinc/63/32/45/356633245.db2.gz ODLKSGCDCGRJIM-OAHLLOKOSA-N 1 0 248.370 1.541 10 0 BDAERO [NH3+]CC[C@@H](O)c1sccc1Br ZINC000083335979 538469246 /nfs/dbraw/zinc/46/92/46/538469246.db2.gz MZSFJQXHKDRWGY-ZCFIWIBFSA-N 1 0 236.134 1.893 10 0 BDAERO CCCc1nccnc1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000630094761 363540110 /nfs/dbraw/zinc/54/01/10/363540110.db2.gz YBNGZFFKNUZWGY-QWRGUYRKSA-N 1 0 234.347 1.403 10 0 BDAERO [NH3+]C[C@@H]1CCO[C@@H]1c1cnn(C2CC2)c1 ZINC000675058765 538482458 /nfs/dbraw/zinc/48/24/58/538482458.db2.gz WXJMPYPTOANARD-KWQFWETISA-N 1 0 207.277 1.254 10 0 BDAERO [NH3+]Cc1ccc(F)nc1Br ZINC000675050882 538473325 /nfs/dbraw/zinc/47/33/25/538473325.db2.gz XJYUNUFRGLRZQC-UHFFFAOYSA-N 1 0 205.030 1.442 10 0 BDAERO CCCC(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675055664 538476401 /nfs/dbraw/zinc/47/64/01/538476401.db2.gz YZXSSIWKEOMTSJ-UHFFFAOYSA-N 1 0 224.348 1.920 10 0 BDAERO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CO)o1 ZINC000675056155 538477778 /nfs/dbraw/zinc/47/77/78/538477778.db2.gz FEBCUSCWNJSCQZ-IUCAKERBSA-N 1 0 213.277 1.710 10 0 BDAERO CCCCNC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056477 538478449 /nfs/dbraw/zinc/47/84/49/538478449.db2.gz KOLQJTWXSDUELI-QWRGUYRKSA-N 1 0 225.336 1.180 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]([C@H]2CCCS(=O)(=O)C2)C1 ZINC000675059244 538484013 /nfs/dbraw/zinc/48/40/13/538484013.db2.gz FATPORRAWPANHJ-GARJFASQSA-N 1 0 231.361 1.057 10 0 BDAERO CC(C)[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675068542 538496811 /nfs/dbraw/zinc/49/68/11/538496811.db2.gz BKONLXLOZPYGCG-OBPIAQAESA-N 1 0 238.375 1.768 10 0 BDAERO O=C1NCCC[NH2+][C@@H]1CCc1ccccc1 ZINC000675068391 538496271 /nfs/dbraw/zinc/49/62/71/538496271.db2.gz PKAGWKXTUMNGRD-GFCCVEGCSA-N 1 0 218.300 1.097 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@]1(CC)C[NH2+]CCO1 ZINC000675059661 538485397 /nfs/dbraw/zinc/48/53/97/538485397.db2.gz TWYHIRRZJNKGPM-AAEUAGOBSA-N 1 0 242.363 1.307 10 0 BDAERO CCC[C@@H](C)C(=O)NC[C@@]1(CC)C[NH2+]CCO1 ZINC000675059663 538485444 /nfs/dbraw/zinc/48/54/44/538485444.db2.gz TWYHIRRZJNKGPM-DGCLKSJQSA-N 1 0 242.363 1.307 10 0 BDAERO CCC[C@H](C)C(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675068556 538496952 /nfs/dbraw/zinc/49/69/52/538496952.db2.gz BNPSMERXAMGZDU-GVXVVHGQSA-N 1 0 224.348 1.762 10 0 BDAERO C[C@H]([NH3+])[C@@H]1COc2c(F)cc(F)cc2C1 ZINC000675063802 538490410 /nfs/dbraw/zinc/49/04/10/538490410.db2.gz PAKHUUFJPJWQHD-XPUUQOCRSA-N 1 0 213.227 1.863 10 0 BDAERO CCc1cn2c(n1)C1(CCC1)[NH2+]CCC2 ZINC000675067334 538493588 /nfs/dbraw/zinc/49/35/88/538493588.db2.gz AKOQIGJFDGXZAY-UHFFFAOYSA-N 1 0 205.305 1.818 10 0 BDAERO CC(C)(C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675069902 538498893 /nfs/dbraw/zinc/49/88/93/538498893.db2.gz JMWNATQVNGGQCM-LMLFDSFASA-N 1 0 224.348 1.522 10 0 BDAERO Cn1ncc(N)c1-c1ccc(C[NH+](C)C)cc1 ZINC000675069880 538499051 /nfs/dbraw/zinc/49/90/51/538499051.db2.gz JCGZJAYQTXEVNV-UHFFFAOYSA-N 1 0 230.315 1.731 10 0 BDAERO Cc1cc(F)c2[nH]c(=O)c(C[NH3+])cc2c1 ZINC000675069914 538499067 /nfs/dbraw/zinc/49/90/67/538499067.db2.gz MFIPCRUVRPNVHT-UHFFFAOYSA-N 1 0 206.220 1.847 10 0 BDAERO CC(C)(C)NC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675070058 538499935 /nfs/dbraw/zinc/49/99/35/538499935.db2.gz KPRFFDABUBKFTG-CABZTGNLSA-N 1 0 225.336 1.308 10 0 BDAERO COc1nc2c(F)ccc(F)c2cc1C[NH3+] ZINC000675070233 538500257 /nfs/dbraw/zinc/50/02/57/538500257.db2.gz SPRVASFZOGJRPI-UHFFFAOYSA-N 1 0 224.210 1.980 10 0 BDAERO COc1ccc2nc(OC)c(C[NH3+])cc2c1 ZINC000675070052 538500404 /nfs/dbraw/zinc/50/04/04/538500404.db2.gz PDDNBHQHSAVATG-UHFFFAOYSA-N 1 0 218.256 1.711 10 0 BDAERO CC(C)CC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070750 538501232 /nfs/dbraw/zinc/50/12/32/538501232.db2.gz SIMOQYQBXNMIPA-ZYHUDNBSSA-N 1 0 210.321 1.291 10 0 BDAERO COc1cc(F)cc2cc(C[NH3+])c(=O)[nH]c21 ZINC000675070536 538501866 /nfs/dbraw/zinc/50/18/66/538501866.db2.gz ZXUBDTKWPKHWRG-UHFFFAOYSA-N 1 0 222.219 1.547 10 0 BDAERO COC(=O)[C@H](C[NH3+])C1C[C@H](C)C[C@@H](C)C1 ZINC000675072242 538502434 /nfs/dbraw/zinc/50/24/34/538502434.db2.gz AIEXRAHPUSSBPU-FXPVBKGRSA-N 1 0 213.321 1.807 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675071262 538502922 /nfs/dbraw/zinc/50/29/22/538502922.db2.gz ZHHCMCRJLCBYKY-ZOLYEBIHSA-N 1 0 238.375 1.768 10 0 BDAERO COC(=O)[C@@H](C[NH3+])[C@H]1CCCC(C)(C)C1 ZINC000675073055 538503936 /nfs/dbraw/zinc/50/39/36/538503936.db2.gz KIDQXXVVZOQOOY-UWVGGRQHSA-N 1 0 213.321 1.951 10 0 BDAERO c1nn2cccnc2c1C1=CC[NH2+]CC1 ZINC000675073141 538504887 /nfs/dbraw/zinc/50/48/87/538504887.db2.gz SABYDNSNQCSHRA-UHFFFAOYSA-N 1 0 200.245 1.106 10 0 BDAERO O=C1NCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000675074977 538508086 /nfs/dbraw/zinc/50/80/86/538508086.db2.gz DWAZWIOXADQBHE-NSHDSACASA-N 1 0 210.321 1.292 10 0 BDAERO O[C@@H]1C=C(C[C@@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076622 538511637 /nfs/dbraw/zinc/51/16/37/538511637.db2.gz FEPHHOSVVIFSII-WCBMZHEXSA-N 1 0 217.259 1.702 10 0 BDAERO CC[NH2+]Cc1c(OC)nsc1OC ZINC000675076132 538510754 /nfs/dbraw/zinc/51/07/54/538510754.db2.gz ZFLABXKXRKWYRG-UHFFFAOYSA-N 1 0 202.279 1.270 10 0 BDAERO CC[C@@H](C[NH3+])Nc1ncc(F)cc1F ZINC000160380491 356668721 /nfs/dbraw/zinc/66/87/21/356668721.db2.gz MCLSGECZBOFSTA-ZETCQYMHSA-N 1 0 201.220 1.509 10 0 BDAERO COc1nsc(C2=C[C@H](O)C[NH2+]C2)c1Cl ZINC000675077677 538514115 /nfs/dbraw/zinc/51/41/15/538514115.db2.gz QBUNVNDNSSHBFG-LURJTMIESA-N 1 0 246.719 1.153 10 0 BDAERO Cc1nc(CC2=C[C@@H](N)C[NH2+]C2)c(C)s1 ZINC000675077772 538514385 /nfs/dbraw/zinc/51/43/85/538514385.db2.gz IJMXVJHEBIVVEJ-SNVBAGLBSA-N 1 0 223.345 1.159 10 0 BDAERO N[C@H]1C=C(Cc2ccccc2Cl)C[NH2+]C1 ZINC000675079044 538518008 /nfs/dbraw/zinc/51/80/08/538518008.db2.gz VFYJUQCDHYZXAW-NSHDSACASA-N 1 0 222.719 1.739 10 0 BDAERO CO[C@@H]1CCC[C@@H](C2=C[C@@H](N)C[NH2+]C2)C1 ZINC000675079081 538518114 /nfs/dbraw/zinc/51/81/14/538518114.db2.gz VRYATGLTLPDFGY-YUSALJHKSA-N 1 0 210.321 1.049 10 0 BDAERO C[NH2+][C@@H](C1=CCCO1)[C@@H]1CSCCS1 ZINC000168232276 356692574 /nfs/dbraw/zinc/69/25/74/356692574.db2.gz IFVQFPAQAZAFKF-UWVGGRQHSA-N 1 0 231.386 1.727 10 0 BDAERO Cc1ccc(C2=C[C@H](N)C[NH2+]C2)c(C)c1 ZINC000675079439 538518514 /nfs/dbraw/zinc/51/85/14/538518514.db2.gz YVYHJEBHRIAUTP-LBPRGKRZSA-N 1 0 202.301 1.617 10 0 BDAERO CCC1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675079498 538518631 /nfs/dbraw/zinc/51/86/31/538518631.db2.gz ZOQYDPIZXRVKFK-JTQLQIEISA-N 1 0 226.320 1.901 10 0 BDAERO CC[NH+](CC)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675080228 538519773 /nfs/dbraw/zinc/51/97/73/538519773.db2.gz PMEHVAACLHMYFC-MNOVXSKESA-N 1 0 212.337 1.225 10 0 BDAERO CO[C@@H]1CCC[C@H](C2=C[C@H](O)C[NH2+]C2)C1 ZINC000675077299 538512834 /nfs/dbraw/zinc/51/28/34/538512834.db2.gz KYFJRCVMAPVHPD-ZMLRMANQSA-N 1 0 211.305 1.082 10 0 BDAERO O[C@@H]1C=C(c2ccc(C3CC3)s2)C[NH2+]C1 ZINC000675076857 538512859 /nfs/dbraw/zinc/51/28/59/538512859.db2.gz GPPMSRNXDOGCFO-SNVBAGLBSA-N 1 0 221.325 1.973 10 0 BDAERO [NH3+]CC[C@@H](O)c1cc(F)ccc1Br ZINC000083557833 538513086 /nfs/dbraw/zinc/51/30/86/538513086.db2.gz DGBYFDARPIYUKA-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO CCC[C@@H](C[NH3+])[C@H](O)c1cscn1 ZINC000127053159 538537420 /nfs/dbraw/zinc/53/74/20/538537420.db2.gz YGFRLFYJTPWHKC-CBAPKCEASA-N 1 0 200.307 1.552 10 0 BDAERO Nc1[nH]c2c(cc(Br)cc2N)[nH+]1 ZINC000160391797 356699904 /nfs/dbraw/zinc/69/99/04/356699904.db2.gz QGTKTKRJFSFEFS-UHFFFAOYSA-N 1 0 227.065 1.490 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)[C@@]1(C)CCCS1 ZINC000382336846 538559805 /nfs/dbraw/zinc/55/98/05/538559805.db2.gz YIEDHGNOUBPBHF-OPRDCNLKSA-N 1 0 203.351 1.618 10 0 BDAERO O=Cc1sc(N2CC[NH2+]CC2)nc1Cl ZINC000084148586 538527353 /nfs/dbraw/zinc/52/73/53/538527353.db2.gz HVWMGXYKHHAQPX-UHFFFAOYSA-N 1 0 231.708 1.019 10 0 BDAERO C[C@@H]1COC[C@H](CC(=O)c2ccoc2)[NH2+]1 ZINC000130366736 538589640 /nfs/dbraw/zinc/58/96/40/538589640.db2.gz VKVOLYLDLZXEQC-SCZZXKLOSA-N 1 0 209.245 1.229 10 0 BDAERO Cn1cncc1[C@@H]1[C@H](C[NH3+])CCCN1C1CC1 ZINC000090166648 538592175 /nfs/dbraw/zinc/59/21/75/538592175.db2.gz ZOZIDWDWOURKED-GWCFXTLKSA-N 1 0 234.347 1.294 10 0 BDAERO CCC[C@H](C[NH3+])[C@H](O)[C@@H]1CCSC1 ZINC000224720465 538600973 /nfs/dbraw/zinc/60/09/73/538600973.db2.gz SWGWTTXAMIOMAI-BBBLOLIVSA-N 1 0 203.351 1.475 10 0 BDAERO CC1(C)C[C@H](C[NH3+])c2ccc(O)cc2O1 ZINC000214822553 356963210 /nfs/dbraw/zinc/96/32/10/356963210.db2.gz YTSUVZXZRWTSAF-MRVPVSSYSA-N 1 0 207.273 1.996 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000389553449 356988243 /nfs/dbraw/zinc/98/82/43/356988243.db2.gz QAKJSGHZKGSFEH-GXFFZTMASA-N 1 0 237.322 1.966 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000300299064 357036815 /nfs/dbraw/zinc/03/68/15/357036815.db2.gz OTTAUQJVDPZHEQ-RWMBFGLXSA-N 1 0 245.363 1.179 10 0 BDAERO C/C(=C/Cl)CN1CC[NH2+]C[C@H](C)C1 ZINC000385218951 357017317 /nfs/dbraw/zinc/01/73/17/357017317.db2.gz GFXBNDADPAPSSF-BSKOKIOFSA-N 1 0 202.729 1.670 10 0 BDAERO Cc1nccc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389734547 357020961 /nfs/dbraw/zinc/02/09/61/357020961.db2.gz SUKGDDCRZXDPJI-PSASIEDQSA-N 1 0 206.293 1.195 10 0 BDAERO CC1CC(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000390638388 357109156 /nfs/dbraw/zinc/10/91/56/357109156.db2.gz MHNDIUOUHRXBCG-SEQHWMEXSA-N 1 0 210.321 1.228 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)c1cncs1 ZINC000129934512 357058884 /nfs/dbraw/zinc/05/88/84/357058884.db2.gz VCCYELWERVSDHM-YIZRAAEISA-N 1 0 212.318 1.707 10 0 BDAERO C[C@@H]1CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(=O)[O-] ZINC000156697513 538794351 /nfs/dbraw/zinc/79/43/51/538794351.db2.gz RHTXWSJDUXBUAW-KXUCPTDWSA-N 1 0 214.309 1.051 10 0 BDAERO C[C@@H]([NH3+])c1cncn1Cc1ccccc1 ZINC000129958844 357080248 /nfs/dbraw/zinc/08/02/48/357080248.db2.gz YYRWQJHTEJYXRY-SNVBAGLBSA-N 1 0 201.273 1.951 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccoc1 ZINC000390450719 357093387 /nfs/dbraw/zinc/09/33/87/357093387.db2.gz ZKZKFZXFCBEFKY-IQJOONFLSA-N 1 0 222.288 1.597 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccoc1 ZINC000390450722 357093542 /nfs/dbraw/zinc/09/35/42/357093542.db2.gz ZKZKFZXFCBEFKY-QXEWZRGKSA-N 1 0 222.288 1.597 10 0 BDAERO [NH3+][C@H]1C[C@@H]1c1ccc(Br)cn1 ZINC000130024895 357154627 /nfs/dbraw/zinc/15/46/27/357154627.db2.gz CKVMIGWMMNHTJR-BQBZGAKWSA-N 1 0 213.078 1.659 10 0 BDAERO C[NH2+]C1CCC(S(=O)(=O)C(C)C)CC1 ZINC000259320771 538813037 /nfs/dbraw/zinc/81/30/37/538813037.db2.gz WEASHFXRMRLYOQ-UHFFFAOYSA-N 1 0 219.350 1.340 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH]nc1C ZINC000123455673 357226863 /nfs/dbraw/zinc/22/68/63/357226863.db2.gz XGSNAHZTNPPEBW-ZDUSSCGKSA-N 1 0 236.363 1.634 10 0 BDAERO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2CN)CS1 ZINC000168799303 357236773 /nfs/dbraw/zinc/23/67/73/357236773.db2.gz CJWDONXLTOOBBX-BBBLOLIVSA-N 1 0 200.351 1.304 10 0 BDAERO CN1CCSC[C@H]1[C@H]([NH3+])C(C)(C)C ZINC000300052948 357180381 /nfs/dbraw/zinc/18/03/81/357180381.db2.gz LQQWGSUQSARKGW-IUCAKERBSA-N 1 0 202.367 1.407 10 0 BDAERO CC(C)[C@@H](CO)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000394077482 357322939 /nfs/dbraw/zinc/32/29/39/357322939.db2.gz WGNUQEMGYBOOIC-IJLUTSLNSA-N 1 0 215.337 1.144 10 0 BDAERO [NH3+][C@@H]1c2cc(Br)ccc2CC[C@@H]1O ZINC000039941465 491110702 /nfs/dbraw/zinc/11/07/02/491110702.db2.gz UFBIQGKVIWRVFU-VHSXEESVSA-N 1 0 242.116 1.756 10 0 BDAERO Cc1cnc([C@@H](C)[NH2+]CCc2cnn(C)c2)o1 ZINC000230647804 357544586 /nfs/dbraw/zinc/54/45/86/357544586.db2.gz FGLWVVUDARXDAY-SNVBAGLBSA-N 1 0 234.303 1.610 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@H]2CCCC[NH2+]2)o1 ZINC000231742963 357624032 /nfs/dbraw/zinc/62/40/32/357624032.db2.gz CVKPOHZXODLJRP-NXEZZACHSA-N 1 0 237.303 1.302 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)C2([NH3+])CCCC2)o1 ZINC000231744733 357624242 /nfs/dbraw/zinc/62/42/42/357624242.db2.gz JWPDQVNLWSSORI-SECBINFHSA-N 1 0 237.303 1.432 10 0 BDAERO NC(=O)c1cc(OCC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000051870951 181291919 /nfs/dbraw/zinc/29/19/19/181291919.db2.gz DNYWWOPIACGMTO-JTQLQIEISA-N 1 0 249.314 1.092 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCC(F)F ZINC000189311354 357631507 /nfs/dbraw/zinc/63/15/07/357631507.db2.gz RNKAYVMPLXYZNB-WDEREUQCSA-N 1 0 248.317 1.437 10 0 BDAERO C[C@@H]1C(=O)NCCC[N@H+]1CCC1CCCC1 ZINC000189308020 357631593 /nfs/dbraw/zinc/63/15/93/357631593.db2.gz XIBXHBNEWBIYNJ-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO CC[C@H](C[NH3+])[C@H](O)c1nc(C)cs1 ZINC000159702918 538878860 /nfs/dbraw/zinc/87/88/60/538878860.db2.gz CWOYDLPXOXEHEL-SFYZADRCSA-N 1 0 200.307 1.470 10 0 BDAERO CC(C)[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946585 538885651 /nfs/dbraw/zinc/88/56/51/538885651.db2.gz TWMXFFFOQHTRAN-LPEHRKFASA-N 1 0 216.300 1.095 10 0 BDAERO C/C=C(\C)C(=O)N[C@H]1C[NH2+]CC[C@H]1CC ZINC000685939270 538886545 /nfs/dbraw/zinc/88/65/45/538886545.db2.gz PCRLYVLOCQGGSD-BDMRALOESA-N 1 0 210.321 1.457 10 0 BDAERO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CCCO)O1 ZINC000232030927 357648207 /nfs/dbraw/zinc/64/82/07/357648207.db2.gz ZJZIKNFAXYUDJJ-UPJWGTAASA-N 1 0 227.348 1.791 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CC1=CCOCC1 ZINC000397713786 357654027 /nfs/dbraw/zinc/65/40/27/357654027.db2.gz FHNRPDKQCZEPLK-LLVKDONJSA-N 1 0 213.321 1.330 10 0 BDAERO CC1([NH3+])CCC(NC(=O)C2CCC2)CC1 ZINC000685947440 538889315 /nfs/dbraw/zinc/88/93/15/538889315.db2.gz KKSHXELZHMUIGU-UHFFFAOYSA-N 1 0 210.321 1.563 10 0 BDAERO CCCCS(=O)(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947712 538889529 /nfs/dbraw/zinc/88/95/29/538889529.db2.gz OJNXCSJATFJVMR-UHFFFAOYSA-N 1 0 248.392 1.366 10 0 BDAERO CCCCS(=O)(=O)N[C@]1(CC)CCC[NH2+]C1 ZINC000685947922 538889616 /nfs/dbraw/zinc/88/96/16/538889616.db2.gz UCPQVLNTGRIKAW-LLVKDONJSA-N 1 0 248.392 1.238 10 0 BDAERO CCCNC(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947769 538889738 /nfs/dbraw/zinc/88/97/38/538889738.db2.gz PVHXAMYLVJQGSU-UHFFFAOYSA-N 1 0 213.325 1.356 10 0 BDAERO CC[N@H+](CC(C)C)[C@@H]1CCNC[C@@H]1F ZINC000685948439 538890955 /nfs/dbraw/zinc/89/09/55/538890955.db2.gz NYSOCVSXRGUBIP-WDEREUQCSA-N 1 0 202.317 1.664 10 0 BDAERO OC[C@@H]1CC[N@@H+]([C@H]2CCOC23CCCC3)C1 ZINC000685948576 538891130 /nfs/dbraw/zinc/89/11/30/538891130.db2.gz CEGMFQVYFACXNO-NEPJUHHUSA-N 1 0 225.332 1.402 10 0 BDAERO CC1(C(=O)N2CC[C@@]3([NH3+])CCCC[C@H]23)CC1 ZINC000685949306 538892246 /nfs/dbraw/zinc/89/22/46/538892246.db2.gz PBDCIDGVMOFEPP-GWCFXTLKSA-N 1 0 222.332 1.659 10 0 BDAERO CCCNC(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949216 538892679 /nfs/dbraw/zinc/89/26/79/538892679.db2.gz MGTSYKHXXGKJHP-PWSUYJOCSA-N 1 0 225.336 1.370 10 0 BDAERO CC[N@H+](CCO)[C@@H]1CCOC12CCCC2 ZINC000685949783 538892881 /nfs/dbraw/zinc/89/28/81/538892881.db2.gz XRKRTUDIUFAFDB-LLVKDONJSA-N 1 0 213.321 1.402 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCOCC1(C)C ZINC000685950913 538894522 /nfs/dbraw/zinc/89/45/22/538894522.db2.gz HVTAXKVHOJKSHE-GDNZZTSVSA-N 1 0 226.364 1.341 10 0 BDAERO CC(C)N(C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000190719061 357719281 /nfs/dbraw/zinc/71/92/81/357719281.db2.gz XOLLSMUWYZNBKQ-NSHDSACASA-N 1 0 225.336 1.227 10 0 BDAERO CC[NH+](CC)CCNC(=O)[C@H]1CCCO[C@@H]1C ZINC000190209471 357692650 /nfs/dbraw/zinc/69/26/50/357692650.db2.gz SGMOFOGINUUNFC-NEPJUHHUSA-N 1 0 242.363 1.260 10 0 BDAERO c1cnc(CN2CCO[C@@H]3CCCC[C@@H]32)nc1 ZINC000191948088 357806410 /nfs/dbraw/zinc/80/64/10/357806410.db2.gz NDEPHZJOBHYKRF-NWDGAFQWSA-N 1 0 233.315 1.620 10 0 BDAERO CN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085010905 134221177 /nfs/dbraw/zinc/22/11/77/134221177.db2.gz XWPMVSNBQQORFL-RQJHMYQMSA-N 1 0 224.226 1.135 10 0 BDAERO Cc1cccc(CC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235337251 357866147 /nfs/dbraw/zinc/86/61/47/357866147.db2.gz AKGYVPRDWIEFDF-YPMHNXCESA-N 1 0 232.327 1.343 10 0 BDAERO C[C@@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000398673192 357889642 /nfs/dbraw/zinc/88/96/42/357889642.db2.gz IPYQUMYBGWQXMA-IRCOFANPSA-N 1 0 215.337 1.287 10 0 BDAERO C[C@H]1CN(CCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000235681357 357927982 /nfs/dbraw/zinc/92/79/82/357927982.db2.gz IMHSANBPQMKSOC-JSGCOSHPSA-N 1 0 234.343 1.735 10 0 BDAERO C[C@H](NC[C@@H](O)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386532604 357930669 /nfs/dbraw/zinc/93/06/69/357930669.db2.gz AXHSHZFOCOEUEI-XHNCKOQMSA-N 1 0 240.269 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BDAERO C[N@@H+]1CC[C@]2(c3ccccc3)O[C@H](O)C[C@@H]2C1 ZINC000584604017 358262583 /nfs/dbraw/zinc/26/25/83/358262583.db2.gz FGFXUQOMBGAQAU-HZSPNIEDSA-N 1 0 233.311 1.572 10 0 BDAERO CC(=O)c1cc(C)c(C)cc1OC[C@H](O)C[NH3+] ZINC000584603871 358262652 /nfs/dbraw/zinc/26/26/52/358262652.db2.gz RNWLTSMESSTALL-LLVKDONJSA-N 1 0 237.299 1.204 10 0 BDAERO C/C=C/S(=O)(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000584608707 358268956 /nfs/dbraw/zinc/26/89/56/358268956.db2.gz JISHOSFJWIMCIR-NKWNXKNASA-N 1 0 239.340 1.505 10 0 BDAERO Cc1cc2c([nH]1)c(C(N)=O)ccc2[C@@H]1CC[NH2+]C1 ZINC000584619089 358285370 /nfs/dbraw/zinc/28/53/70/358285370.db2.gz DFJKMRKFJUIZLU-SECBINFHSA-N 1 0 243.310 1.652 10 0 BDAERO FC(F)(F)c1cnc(N[C@H]2CC[NH2+]C2)nc1 ZINC000584644587 358329885 /nfs/dbraw/zinc/32/98/85/358329885.db2.gz FSUJXJZFWQTWEB-ZETCQYMHSA-N 1 0 232.209 1.269 10 0 BDAERO Cc1[nH+]c(N)c(C)n1CC[NH2+]CC(C)(C)C ZINC000584641246 358327373 /nfs/dbraw/zinc/32/73/73/358327373.db2.gz VLOGCKVRZGQAJG-UHFFFAOYSA-N 1 0 224.352 1.718 10 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240.347 1.058 10 0 BDAERO CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000227447021 358357751 /nfs/dbraw/zinc/35/77/51/358357751.db2.gz OPOVFUHHDZWQMY-JHJVBQTASA-N 1 0 229.364 1.678 10 0 BDAERO NC(=O)c1ccc(Cl)cc1N[C@@H]1CC[NH2+]C1 ZINC000062785881 181297341 /nfs/dbraw/zinc/29/73/41/181297341.db2.gz WTVXNZPDHNQNIS-MRVPVSSYSA-N 1 0 239.706 1.213 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncnc2c1CCC2 ZINC000229596773 358404341 /nfs/dbraw/zinc/40/43/41/358404341.db2.gz PHLYANGDUVJZSV-ONGXEEELSA-N 1 0 232.331 1.518 10 0 BDAERO COc1cccnc1N[C@H](C)CCC[NH3+] ZINC000160377919 358399581 /nfs/dbraw/zinc/39/95/81/358399581.db2.gz CWXDAIQEXAHRRZ-SECBINFHSA-N 1 0 209.293 1.630 10 0 BDAERO Cc1nnc(C[N@@H+]2CCC3(CCCC3)C2)n1C ZINC000174274154 134279889 /nfs/dbraw/zinc/27/98/89/134279889.db2.gz NEOSXGGGUHELIM-UHFFFAOYSA-N 1 0 234.347 1.890 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCN[C@H]1C)[C@H]1CCCOC1 ZINC000396619469 358449532 /nfs/dbraw/zinc/44/95/32/358449532.db2.gz UNJZOMMYXQIHRC-ZDEQEGDKSA-N 1 0 226.364 1.532 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364228594 /nfs/dbraw/zinc/22/85/94/364228594.db2.gz WEEWVGWMXSVAPH-WPRPVWTQSA-N 1 0 236.319 1.346 10 0 BDAERO CCc1ncnc(N[C@H]2CC[C@H](C)[NH2+]C2)c1F ZINC000630535326 364229677 /nfs/dbraw/zinc/22/96/77/364229677.db2.gz TXFGLVGAVPKXBW-IUCAKERBSA-N 1 0 238.310 1.731 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000037622730 364337782 /nfs/dbraw/zinc/33/77/82/364337782.db2.gz WGIXVTMUOVTXBK-QYNFOATHSA-N 1 0 240.347 1.140 10 0 BDAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC000037626253 364354781 /nfs/dbraw/zinc/35/47/81/364354781.db2.gz SJAQNKYNFHDZOV-YYJSSNLHSA-N 1 0 240.347 1.188 10 0 BDAERO [NH3+]CC1CCC(C(=O)Nc2ccncc2)CC1 ZINC000000012052 181364123 /nfs/dbraw/zinc/36/41/23/181364123.db2.gz SLRGZZIYYHTKSM-UHFFFAOYSA-N 1 0 233.315 1.785 10 0 BDAERO [NH3+]CC1CCC(C(=O)Nc2nccs2)CC1 ZINC000042750763 181363884 /nfs/dbraw/zinc/36/38/84/181363884.db2.gz HLDPGSXMAKRBJC-UHFFFAOYSA-N 1 0 239.344 1.847 10 0 BDAERO [NH3+]CCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000037506571 181366839 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UDPSPMNJNLHDDJ-UHFFFAOYSA-N 1 0 244.298 1.754 10 0 BDAERO [NH3+]CCCC(=O)Nc1ccc2[nH]cnc2c1 ZINC000082257035 181374431 /nfs/dbraw/zinc/37/44/31/181374431.db2.gz SAWUTAUYGZQFAE-UHFFFAOYSA-N 1 0 218.260 1.240 10 0 BDAERO [NH3+]CCCCCNC(=O)Cc1ccc(F)cc1 ZINC000074320148 181375449 /nfs/dbraw/zinc/37/54/49/181375449.db2.gz UQAZYTMXHHAEQP-UHFFFAOYSA-N 1 0 238.306 1.613 10 0 BDAERO [NH3+]CCCCN1C(=O)CC2(CCCC2)CC1=O ZINC000036405882 181376234 /nfs/dbraw/zinc/37/62/34/181376234.db2.gz HBIPQBGTOAEBSV-UHFFFAOYSA-N 1 0 238.331 1.435 10 0 BDAERO CC[C@@H](C)CNc1noc2c1CC[NH2+]C2 ZINC000669385010 541438380 /nfs/dbraw/zinc/43/83/80/541438380.db2.gz SCPGEKHUTVBEIL-MRVPVSSYSA-N 1 0 209.293 1.778 10 0 BDAERO CC[C@@H]1C[C@H](CC)[C@H](C(=O)OC)[C@H](C)[NH2+]1 ZINC000669385124 541438532 /nfs/dbraw/zinc/43/85/32/541438532.db2.gz ZHWKVBGERQFXSU-UKKRHICBSA-N 1 0 213.321 1.962 10 0 BDAERO O=C(C1CCCCC1)N1CCC2(C[NH2+]C2)C1 ZINC000675053846 541433306 /nfs/dbraw/zinc/43/33/06/541433306.db2.gz NWJJZZBZRWSRBS-UHFFFAOYSA-N 1 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[NH3+]CCCN1C(=S)N=C2CCCCC21 ZINC000076095251 181388903 /nfs/dbraw/zinc/38/89/03/181388903.db2.gz AFKHGBZVNKYTNQ-UHFFFAOYSA-N 1 0 211.334 1.399 10 0 BDAERO [NH3+]CCN(Cc1ncccn1)C1CCCCC1 ZINC000104311550 181390704 /nfs/dbraw/zinc/39/07/04/181390704.db2.gz KFUDBBGJBQMXKK-UHFFFAOYSA-N 1 0 234.347 1.570 10 0 BDAERO [NH3+]CCN(C(=O)c1ccccc1)C1CC1 ZINC000041671109 181390824 /nfs/dbraw/zinc/39/08/24/181390824.db2.gz NTIYSMBLBKFBMZ-UHFFFAOYSA-N 1 0 204.273 1.250 10 0 BDAERO [NH3+]CCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000037895117 181393891 /nfs/dbraw/zinc/39/38/91/181393891.db2.gz LNHGXAJKMYQLGR-UHFFFAOYSA-N 1 0 237.347 1.213 10 0 BDAERO [NH3+]CCN[C@@H]1CCCc2cc(O)ccc21 ZINC000044747339 181397126 /nfs/dbraw/zinc/39/71/26/181397126.db2.gz ISUKJILLTWUFQC-GFCCVEGCSA-N 1 0 206.289 1.318 10 0 BDAERO [NH3+]CCNc1ccnc2c(F)cc(F)cc12 ZINC000103179434 181398487 /nfs/dbraw/zinc/39/84/87/181398487.db2.gz CUVVUQWFJSSYGR-UHFFFAOYSA-N 1 0 223.226 1.884 10 0 BDAERO [NH3+]CCNc1nccc(-c2ccco2)n1 ZINC000002538424 181398594 /nfs/dbraw/zinc/39/85/94/181398594.db2.gz UAUZBVNMGAGBSH-UHFFFAOYSA-N 1 0 204.233 1.107 10 0 BDAERO Nc1ccc(NCC[NH3+])c2ncccc12 ZINC000052815276 181398642 /nfs/dbraw/zinc/39/86/42/181398642.db2.gz KXAUXGYSWREGDJ-UHFFFAOYSA-N 1 0 202.261 1.188 10 0 BDAERO CC1(C)CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000087253495 365130715 /nfs/dbraw/zinc/13/07/15/365130715.db2.gz UVWQICVGBWBYNP-LLVKDONJSA-N 1 0 224.348 1.635 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(Br)cn1 ZINC000083329141 181402534 /nfs/dbraw/zinc/40/25/34/181402534.db2.gz ZFJMIYMAZYZIBR-MRVPVSSYSA-N 1 0 231.093 1.226 10 0 BDAERO [NH3+]CCc1cn2cccc(Br)c2n1 ZINC000082696283 181412597 /nfs/dbraw/zinc/41/25/97/181412597.db2.gz PLOFNZHVPCKMOE-UHFFFAOYSA-N 1 0 240.104 1.598 10 0 BDAERO [NH3+]C[C@@H](c1ccc(F)cc1)n1cccn1 ZINC000042915809 181425013 /nfs/dbraw/zinc/42/50/13/181425013.db2.gz AONZIMXHSVGVLE-NSHDSACASA-N 1 0 205.236 1.570 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCC(O)(CC)CC1 ZINC000444600689 193052038 /nfs/dbraw/zinc/05/20/38/193052038.db2.gz UFGKECUBEVXDLS-NSHDSACASA-N 1 0 215.337 1.384 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000339791291 365473558 /nfs/dbraw/zinc/47/35/58/365473558.db2.gz JBZAOEUGWUGWRE-CHWSQXEVSA-N 1 0 245.363 1.011 10 0 BDAERO CCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000174603896 365498273 /nfs/dbraw/zinc/49/82/73/365498273.db2.gz FZWVBCRGLVUVDB-NEPJUHHUSA-N 1 0 242.363 1.090 10 0 BDAERO C[C@@H]([NH3+])[C@H]1COc2c(ccc(F)c2F)C1 ZINC000675063355 541464619 /nfs/dbraw/zinc/46/46/19/541464619.db2.gz CYLNATGWUMGADD-HTRCEHHLSA-N 1 0 213.227 1.863 10 0 BDAERO CC(C)(C)OC(=O)C[C@H]1COCC[C@H]1[NH3+] ZINC000200603153 541480992 /nfs/dbraw/zinc/48/09/92/541480992.db2.gz LCZHXDHXTTXPQY-DTWKUNHWSA-N 1 0 215.293 1.082 10 0 BDAERO COc1ccc(OC)c2[nH]c(=O)c(C[NH3+])cc12 ZINC000011980237 541481806 /nfs/dbraw/zinc/48/18/06/541481806.db2.gz WAXPNOJTNQKSBN-UHFFFAOYSA-N 1 0 234.255 1.004 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCCO[C@H]1CCOC1 ZINC000564850767 325817236 /nfs/dbraw/zinc/81/72/36/325817236.db2.gz 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ZQYBPXUVSBCABA-RAIGVLPGSA-N 1 0 227.348 1.695 10 0 BDAERO CCOc1cncc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382420916 367520594 /nfs/dbraw/zinc/52/05/94/367520594.db2.gz KFLHTARWXFFDEA-VHSXEESVSA-N 1 0 236.319 1.415 10 0 BDAERO CCOc1cncc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382420917 367520731 /nfs/dbraw/zinc/52/07/31/367520731.db2.gz KFLHTARWXFFDEA-ZJUUUORDSA-N 1 0 236.319 1.415 10 0 BDAERO Cc1cc(C)nc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383422147 367620537 /nfs/dbraw/zinc/62/05/37/367620537.db2.gz ARPQRTMAGLLRCD-MRVPVSSYSA-N 1 0 230.262 1.488 10 0 BDAERO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)[C@@H](C)O1 ZINC000581677561 367705971 /nfs/dbraw/zinc/70/59/71/367705971.db2.gz FWLXJWFSAMBBBE-SYLRKERUSA-N 1 0 227.348 1.693 10 0 BDAERO [NH3+]C[C@@H]1CCCN(CC(=O)c2ccco2)C1 ZINC000095072544 181429446 /nfs/dbraw/zinc/42/94/46/181429446.db2.gz OWKCKABKTLWSQC-JTQLQIEISA-N 1 0 222.288 1.133 10 0 BDAERO CCc1cc(N2C[C@H]([NH3+])C[C@@H]2C)nc(C)n1 ZINC000384955221 367763843 /nfs/dbraw/zinc/76/38/43/367763843.db2.gz CGEYQZFJFQQWRC-WCBMZHEXSA-N 1 0 220.320 1.273 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1Sc1nncs1 ZINC000035724537 181433174 /nfs/dbraw/zinc/43/31/74/181433174.db2.gz DUNGHYPIJFAELU-NKWVEPMBSA-N 1 0 215.347 1.758 10 0 BDAERO CC[C@@H]1SCCS[C@H]1C(=[NH2+])NC ZINC000252721486 367893705 /nfs/dbraw/zinc/89/37/05/367893705.db2.gz NUNNOPHTBDGOLB-NKWVEPMBSA-N 1 0 204.364 1.810 10 0 BDAERO Cc1cnc(N2C[C@H](C)[NH2+]C[C@@H]2C)nc1C ZINC000386523766 367985964 /nfs/dbraw/zinc/98/59/64/367985964.db2.gz YEVPJROXKDPCLY-UWVGGRQHSA-N 1 0 220.320 1.280 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C)[C@H]1c1nccs1 ZINC000252761075 368053406 /nfs/dbraw/zinc/05/34/06/368053406.db2.gz MTBQSRAYFWGPSK-DTWKUNHWSA-N 1 0 211.334 1.355 10 0 BDAERO C[C@@H]1CN([C@H]2CCC[C@H]2[NH3+])CCS1 ZINC000252979836 368176130 /nfs/dbraw/zinc/17/61/30/368176130.db2.gz JRXRBAVALWAJLX-BBBLOLIVSA-N 1 0 200.351 1.304 10 0 BDAERO CC[NH2+][C@H]1CCN([C@H]2CCCSC2)C1 ZINC000252981004 368177160 /nfs/dbraw/zinc/17/71/60/368177160.db2.gz PFCAQOCCFCFEBA-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCCC1 ZINC000387476872 368227173 /nfs/dbraw/zinc/22/71/73/368227173.db2.gz BTJAWGIXHCHRKM-KGLIPLIRSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1ccc(Cc2cc(NN)[nH+]nc2C)cc1 ZINC000038918116 368328051 /nfs/dbraw/zinc/32/80/51/368328051.db2.gz FJHFWYDTFGXCRJ-UHFFFAOYSA-N 1 0 228.299 1.970 10 0 BDAERO [NH3+]CCc1c[nH]c2ccc3c(cc[nH]c3=O)c12 ZINC000060329689 368335519 /nfs/dbraw/zinc/33/55/19/368335519.db2.gz SLCWTLPXTPJSMQ-UHFFFAOYSA-N 1 0 227.267 1.511 10 0 BDAERO O[C@H](c1cccc2c1NCC2)C1CC[NH2+]CC1 ZINC000114169167 368341160 /nfs/dbraw/zinc/34/11/60/368341160.db2.gz WNBOFRORKHXRTO-AWEZNQCLSA-N 1 0 232.327 1.688 10 0 BDAERO O=[N+]([O-])c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000143787650 368349224 /nfs/dbraw/zinc/34/92/24/368349224.db2.gz RIJMFKDTEYWMPC-UHFFFAOYSA-N 1 0 204.229 1.972 10 0 BDAERO CCOC(=O)c1c(N)sc2[n+]1CCCC2 ZINC000048554953 368379700 /nfs/dbraw/zinc/37/97/00/368379700.db2.gz QQYCGSXZYCVCRW-UHFFFAOYSA-O 1 0 227.309 1.131 10 0 BDAERO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CSCCN2)C1 ZINC000253060528 368419034 /nfs/dbraw/zinc/41/90/34/368419034.db2.gz DEKYFLDQVZWQRU-VWYCJHECSA-N 1 0 214.378 1.422 10 0 BDAERO COC(=O)C1CC[NH+]([C@@H](C)C(C)C)CC1 ZINC000259723071 370934870 /nfs/dbraw/zinc/93/48/70/370934870.db2.gz QFJYYJRUFYXFFR-JTQLQIEISA-N 1 0 213.321 1.916 10 0 BDAERO Cc1cc2ccccc2c(NCCO)[nH+]1 ZINC000074402692 368843166 /nfs/dbraw/zinc/84/31/66/368843166.db2.gz DBTWUFLVOXMPSK-UHFFFAOYSA-N 1 0 202.257 1.947 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ncnc2ccccc21 ZINC000086471406 368881474 /nfs/dbraw/zinc/88/14/74/368881474.db2.gz GHGUDXLUWJNPHP-WDEREUQCSA-N 1 0 242.326 1.816 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1ccncc1 ZINC000054686321 369087660 /nfs/dbraw/zinc/08/76/60/369087660.db2.gz FQSKTBDCCWZPBN-UONOGXRCSA-N 1 0 228.295 1.685 10 0 BDAERO [NH3+][C@H]1C[C@@H](CO)Oc2ccc(Cl)cc21 ZINC000130808923 369088396 /nfs/dbraw/zinc/08/83/96/369088396.db2.gz XINJFWKVGFATGF-CBAPKCEASA-N 1 0 213.664 1.483 10 0 BDAERO [NH3+]C[C@@H]1CNc2cc(Br)ccc21 ZINC000071483778 181438827 /nfs/dbraw/zinc/43/88/27/181438827.db2.gz OIYPJEMYLPAHEX-ZCFIWIBFSA-N 1 0 227.105 1.917 10 0 BDAERO NC[C@H]([C@H]1CCOC1)[NH+]1CCCCCC1 ZINC000019256576 181452625 /nfs/dbraw/zinc/45/26/25/181452625.db2.gz UOQQIBHZJVBJDE-NWDGAFQWSA-N 1 0 212.337 1.226 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccnc2cccnc21 ZINC000341018447 181462367 /nfs/dbraw/zinc/46/23/67/181462367.db2.gz RCKYDARPYDZOSV-MNOVXSKESA-N 1 0 242.326 1.591 10 0 BDAERO C[C@H]1CN(Cc2nccn2C(F)F)C[C@H]1C[NH3+] ZINC000631839925 369191322 /nfs/dbraw/zinc/19/13/22/369191322.db2.gz MNAMSWZTLWDOTN-DTWKUNHWSA-N 1 0 244.289 1.305 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000623766950 369215963 /nfs/dbraw/zinc/21/59/63/369215963.db2.gz NYLOOWGNOKMTIU-LSDHHAIUSA-N 1 0 247.338 1.803 10 0 BDAERO CC(C)(C)CC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404031992 369417117 /nfs/dbraw/zinc/41/71/17/369417117.db2.gz XJSBOXJAXAARCR-WDEREUQCSA-N 1 0 240.347 1.012 10 0 BDAERO [NH3+]Cc1ccc(CN2CCCCC2=O)c(F)c1 ZINC000020295798 181482047 /nfs/dbraw/zinc/48/20/47/181482047.db2.gz PQAARMCWLYUKNF-UHFFFAOYSA-N 1 0 236.290 1.797 10 0 BDAERO [NH3+]Cc1cnn(CCc2ccccc2)c1 ZINC000011920309 181493706 /nfs/dbraw/zinc/49/37/06/181493706.db2.gz JWFSUNGCODBSQS-UHFFFAOYSA-N 1 0 201.273 1.585 10 0 BDAERO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)ccn1 ZINC000621302028 370231870 /nfs/dbraw/zinc/23/18/70/370231870.db2.gz PEYGVQVHRUYCEI-RRFJBIMHSA-N 1 0 246.354 1.983 10 0 BDAERO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)ccn1 ZINC000621302029 370231968 /nfs/dbraw/zinc/23/19/68/370231968.db2.gz PEYGVQVHRUYCEI-SOUVJXGZSA-N 1 0 246.354 1.983 10 0 BDAERO CC(C)[N@H+](C)C[C@H](O)Cn1cnc2ccccc21 ZINC000310844169 370368300 /nfs/dbraw/zinc/36/83/00/370368300.db2.gz ICHHIILCDWXSIS-LBPRGKRZSA-N 1 0 247.342 1.737 10 0 BDAERO O=C(NCC[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000621671034 370421832 /nfs/dbraw/zinc/42/18/32/370421832.db2.gz GENZVCFRBPUXJG-DTWKUNHWSA-N 1 0 232.274 1.148 10 0 BDAERO CC1CC(CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000621672714 370424216 /nfs/dbraw/zinc/42/42/16/370424216.db2.gz QNLVFQPBUOEPGQ-MOENNCHZSA-N 1 0 224.348 1.538 10 0 BDAERO CC1CC(CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000621672713 370424235 /nfs/dbraw/zinc/42/42/35/370424235.db2.gz QNLVFQPBUOEPGQ-CXQJBGSLSA-N 1 0 224.348 1.538 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1CC(C)C1 ZINC000621672770 370424536 /nfs/dbraw/zinc/42/45/36/370424536.db2.gz SJHRPRRINIFMFL-VGRIYTJTSA-N 1 0 212.337 1.522 10 0 BDAERO C[C@]1(C(=O)NCC[C@H]2CC2(F)F)CCC[NH2+]1 ZINC000621674431 370426859 /nfs/dbraw/zinc/42/68/59/370426859.db2.gz SRUGVUBDDWUMHR-WCBMZHEXSA-N 1 0 232.274 1.290 10 0 BDAERO CCN1CCO[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000113266798 370396583 /nfs/dbraw/zinc/39/65/83/370396583.db2.gz GLAQIDKFCYMXLT-OAHLLOKOSA-N 1 0 248.370 1.805 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000113266896 370397247 /nfs/dbraw/zinc/39/72/47/370397247.db2.gz DQVZKRCBQHQPLU-AWEZNQCLSA-N 1 0 234.343 1.497 10 0 BDAERO c1cnn(CCOc2ccc3c(c2)C[NH2+]C3)c1 ZINC000113593707 370438692 /nfs/dbraw/zinc/43/86/92/370438692.db2.gz PRZJFMRRZTYYPZ-UHFFFAOYSA-N 1 0 229.283 1.565 10 0 BDAERO [NH3+]Cc1nnc2sc3c(n12)CCCC3 ZINC000041631612 181506915 /nfs/dbraw/zinc/50/69/15/181506915.db2.gz VBAFQXRSUJTQMI-UHFFFAOYSA-N 1 0 208.290 1.128 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000623765972 371086358 /nfs/dbraw/zinc/08/63/58/371086358.db2.gz ZZOHGIUNJQYZQF-NEPJUHHUSA-N 1 0 241.718 1.579 10 0 BDAERO COC(=O)c1ccc(NC[C@@H]2CC[NH2+]C2)nc1C ZINC000124450850 371191548 /nfs/dbraw/zinc/19/15/48/371191548.db2.gz VKMNMUBWFKKZAU-SNVBAGLBSA-N 1 0 249.314 1.198 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000389853842 371177898 /nfs/dbraw/zinc/17/78/98/371177898.db2.gz ZJWHCXYBUMTQMD-YFKTTZPYSA-N 1 0 228.405 1.810 10 0 BDAERO [NH3+][C@@H](c1ccc2c(c1)CC(=O)N2)C1CCC1 ZINC000019969588 181562954 /nfs/dbraw/zinc/56/29/54/181562954.db2.gz UWWFBFBZKIENEW-CYBMUJFWSA-N 1 0 216.284 1.981 10 0 BDAERO CCC[C@H](C(=O)N(C)CCC1CC1)[NH+](C)C ZINC000163583474 326403692 /nfs/dbraw/zinc/40/36/92/326403692.db2.gz KNBXUISANKVSJZ-GFCCVEGCSA-N 1 0 226.364 1.975 10 0 BDAERO [NH3+][C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CCCCO1 ZINC000063210338 181571267 /nfs/dbraw/zinc/57/12/67/181571267.db2.gz HXLZZTNHOKHDKK-WOPDTQHZSA-N 1 0 240.347 1.332 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ncc(F)cn1 ZINC000095072218 181575244 /nfs/dbraw/zinc/57/52/44/181575244.db2.gz AXQUJGMEDRBEEN-BDAKNGLRSA-N 1 0 210.256 1.298 10 0 BDAERO [NH3+][C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000020445763 181594438 /nfs/dbraw/zinc/59/44/38/181594438.db2.gz XRDCLPRVWKGHDU-SCSAIBSYSA-N 1 0 205.183 1.245 10 0 BDAERO [NH3+][C@H](Cc1ccncc1)c1cscn1 ZINC000082379515 181627036 /nfs/dbraw/zinc/62/70/36/181627036.db2.gz PTURPSURQYTFEC-SECBINFHSA-N 1 0 205.286 1.781 10 0 BDAERO [NH3+][C@@H]1C[C@H](c2ccco2)Cc2n[nH]cc21 ZINC000072415348 181599668 /nfs/dbraw/zinc/59/96/68/181599668.db2.gz PERGNHOCPRRMEC-IONNQARKSA-N 1 0 203.245 1.733 10 0 BDAERO [NH3+][C@@H]1c2cc(F)cc(F)c2CCC[C@H]1O ZINC000039941551 181601981 /nfs/dbraw/zinc/60/19/81/181601981.db2.gz PJUJEWWDBGHFJX-GHMZBOCLSA-N 1 0 213.227 1.662 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)COc1ccccc1 ZINC000063171931 181646454 /nfs/dbraw/zinc/64/64/54/181646454.db2.gz NIMFGWUVMPECLT-RYUDHWBXSA-N 1 0 234.299 1.061 10 0 BDAERO C[C@H](Cc1cccs1)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624235145 371423019 /nfs/dbraw/zinc/42/30/19/371423019.db2.gz FJARTGFJHCNNGG-USWWRNFRSA-N 1 0 241.356 1.419 10 0 BDAERO C[C@H](CC1CCCC1)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624236603 371423600 /nfs/dbraw/zinc/42/36/00/371423600.db2.gz GQMLZTXREDFEHM-WXHSDQCUSA-N 1 0 227.348 1.695 10 0 BDAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000624238303 371426870 /nfs/dbraw/zinc/42/68/70/371426870.db2.gz OQNNWPVBMSDPQG-SRVKXCTJSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)[C@@H](C)C1 ZINC000624238813 371427331 /nfs/dbraw/zinc/42/73/31/371427331.db2.gz ZDUMMBCPVMISEL-SJHCENCUSA-N 1 0 227.348 1.551 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000624239646 371427457 /nfs/dbraw/zinc/42/74/57/371427457.db2.gz QJDIKPKDWMCGMY-ZJUUUORDSA-N 1 0 235.274 1.304 10 0 BDAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000624238304 371427764 /nfs/dbraw/zinc/42/77/64/371427764.db2.gz OQNNWPVBMSDPQG-TUAOUCFPSA-N 1 0 227.348 1.695 10 0 BDAERO Nc1cccc(C(=O)OCC[C@H]2CCCC[NH2+]2)c1 ZINC000001996128 181742311 /nfs/dbraw/zinc/74/23/11/181742311.db2.gz RXQHRLNVIPQORX-CYBMUJFWSA-N 1 0 248.326 1.958 10 0 BDAERO Nc1ccc(OCC[NH+]2CCCCC2)nc1 ZINC000040240176 181721623 /nfs/dbraw/zinc/72/16/23/181721623.db2.gz TUIKLIUCKKEJSQ-UHFFFAOYSA-N 1 0 221.304 1.529 10 0 BDAERO CN1CC[C@H]([NH2+]C[C@@H]2CSCCS2)C1 ZINC000131146108 371562600 /nfs/dbraw/zinc/56/26/00/371562600.db2.gz SVIJSKDMJDJFMX-VHSXEESVSA-N 1 0 232.418 1.129 10 0 BDAERO O[C@H]([C@@H]1CCC[NH2+]C1)C(F)(F)Br ZINC000225657932 371563596 /nfs/dbraw/zinc/56/35/96/371563596.db2.gz SGMXJPNXFMSAQB-PHDIDXHHSA-N 1 0 244.079 1.335 10 0 BDAERO [NH3+]CC[C@@H](F)C(F)(F)Br ZINC000225685089 371565646 /nfs/dbraw/zinc/56/56/46/371565646.db2.gz AWJHKFRZBMJVQY-GSVOUGTGSA-N 1 0 206.005 1.661 10 0 BDAERO C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000161798886 371565675 /nfs/dbraw/zinc/56/56/75/371565675.db2.gz KWOIEJRACTXEDJ-VIFPVBQESA-N 1 0 248.095 1.841 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1OCc1cncs1 ZINC000131488028 371610184 /nfs/dbraw/zinc/61/01/84/371610184.db2.gz UERDFUNPHPUESU-ZJUUUORDSA-N 1 0 212.318 1.930 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)c1cnccn1 ZINC000226477914 371672874 /nfs/dbraw/zinc/67/28/74/371672874.db2.gz FOUWNHDLPDUVQP-DTWKUNHWSA-N 1 0 205.261 1.177 10 0 BDAERO CCc1csc(O[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000131585673 371629323 /nfs/dbraw/zinc/62/93/23/371629323.db2.gz PCPJLBACQWTYNQ-DTWKUNHWSA-N 1 0 212.318 1.964 10 0 BDAERO CCc1csc(O[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000131586141 371629356 /nfs/dbraw/zinc/62/93/56/371629356.db2.gz PCPJLBACQWTYNQ-RKDXNWHRSA-N 1 0 212.318 1.964 10 0 BDAERO CC[C@@H]1C[NH+]=C(N[C@H]2CCCOC2)S1 ZINC000230007351 371632866 /nfs/dbraw/zinc/63/28/66/371632866.db2.gz YKPRPZTYXWXGSK-DTWKUNHWSA-N 1 0 214.334 1.636 10 0 BDAERO [NH3+]CCC[N@H+](CCCCO)Cc1ccccc1 ZINC000230030360 371638046 /nfs/dbraw/zinc/63/80/46/371638046.db2.gz MSZQFPBPTQOGGV-UHFFFAOYSA-N 1 0 236.359 1.610 10 0 BDAERO [NH3+][C@@H](Cc1ccco1)[C@@H]1CSCCS1 ZINC000131650319 371640557 /nfs/dbraw/zinc/64/05/57/371640557.db2.gz JVQUKODNYVOIRU-UWVGGRQHSA-N 1 0 229.370 1.998 10 0 BDAERO C[C@H](c1ccc(Br)o1)N1CC([NH3+])C1 ZINC000131817897 371684768 /nfs/dbraw/zinc/68/47/68/371684768.db2.gz BSIWUHFCNZVGKS-ZCFIWIBFSA-N 1 0 245.120 1.746 10 0 BDAERO [NH3+][C@H]1C=C[C@H](C(=O)Cc2ccccn2)C1 ZINC000226566713 371698769 /nfs/dbraw/zinc/69/87/69/371698769.db2.gz BUCAYYPKTAWQTO-UWVGGRQHSA-N 1 0 202.257 1.097 10 0 BDAERO Cn1ccnc1C(=O)[C@@]1(C)CCC[C@H]1[NH3+] ZINC000226834447 371750251 /nfs/dbraw/zinc/75/02/51/371750251.db2.gz VNKFPRLLQBEKIC-KCJUWKMLSA-N 1 0 207.277 1.120 10 0 BDAERO Cc1cc2c(cc1C)[S@](=O)[C@@H](C)[C@H]2[NH3+] ZINC000227009544 371766638 /nfs/dbraw/zinc/76/66/38/371766638.db2.gz CHISEBQKBWTMFD-OLXJLDBKSA-N 1 0 209.314 1.813 10 0 BDAERO CCC[C@@H](C(=O)OCC)N1CC[C@H]([NH+](C)C)C1 ZINC000216565186 371769821 /nfs/dbraw/zinc/76/98/21/371769821.db2.gz YGTPKBGZVDRNTN-RYUDHWBXSA-N 1 0 242.363 1.354 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1[S@@](=O)C1CCCCC1 ZINC000227044839 371773528 /nfs/dbraw/zinc/77/35/28/371773528.db2.gz RGEJVSRBULOYGW-GYSYKLTISA-N 1 0 215.362 1.948 10 0 BDAERO C[C@@H]1CN[C@@]2(C[NH2+]C[C@H](C)C2)SC1 ZINC000401692619 371801499 /nfs/dbraw/zinc/80/14/99/371801499.db2.gz HRMPUUBTTWWJAV-OPRDCNLKSA-N 1 0 200.351 1.285 10 0 BDAERO C[C@@H]1[C@H](C)SCCN1[C@@H]1CC[NH2+]C1 ZINC000132424186 371819265 /nfs/dbraw/zinc/81/92/65/371819265.db2.gz FZCORUICCUJOBP-KXUCPTDWSA-N 1 0 200.351 1.174 10 0 BDAERO [NH3+]Cc1ccn2c(Br)cnc2c1 ZINC000132526297 371852843 /nfs/dbraw/zinc/85/28/43/371852843.db2.gz NIAHHCXLMWLNAR-UHFFFAOYSA-N 1 0 226.077 1.556 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1OCc1nccs1 ZINC000230197475 371869819 /nfs/dbraw/zinc/86/98/19/371869819.db2.gz NHEDICVZNCEXKK-RKDXNWHRSA-N 1 0 212.318 1.658 10 0 BDAERO [NH3+][C@H]1CN(c2ccccc2Br)C1=O ZINC000227617830 371905794 /nfs/dbraw/zinc/90/57/94/371905794.db2.gz HGHIODQKDPHTKQ-ZETCQYMHSA-N 1 0 241.088 1.123 10 0 BDAERO [NH3+][C@H]1CN(Cc2ccccc2Cl)C1=O ZINC000227619244 371905960 /nfs/dbraw/zinc/90/59/60/371905960.db2.gz DHSVXPVQRMZGHN-VIFPVBQESA-N 1 0 210.664 1.010 10 0 BDAERO CC(C)[C@H](C)[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000227718471 371925524 /nfs/dbraw/zinc/92/55/24/371925524.db2.gz YIKCLCIPUYALHV-OUAUKWLOSA-N 1 0 200.326 1.079 10 0 BDAERO [NH3+]CCNc1c(F)cc(F)cc1Cl ZINC000306155541 371993336 /nfs/dbraw/zinc/99/33/36/371993336.db2.gz KTFMCNHLWKQYEN-UHFFFAOYSA-N 1 0 206.623 1.989 10 0 BDAERO Cc1sccc1[C@](O)(C[NH3+])C(F)(F)F ZINC000227852057 371949615 /nfs/dbraw/zinc/94/96/15/371949615.db2.gz WMXDDOVVHHYDCN-SSDOTTSWSA-N 1 0 225.235 1.765 10 0 BDAERO CC[C@H]([NH3+])[C@@H](CO)N(C)Cc1ccccc1 ZINC000163211533 371953057 /nfs/dbraw/zinc/95/30/57/371953057.db2.gz RFVXHHBFPMCKHD-QWHCGFSZSA-N 1 0 222.332 1.217 10 0 BDAERO c1cc2ccnc(OC3C[NH2+]C3)c2s1 ZINC000306497595 372025949 /nfs/dbraw/zinc/02/59/49/372025949.db2.gz BOYZIWFTIIXSNI-UHFFFAOYSA-N 1 0 206.270 1.647 10 0 BDAERO [NH3+]C[C@@H](Nc1ncncc1Cl)C1CC1 ZINC000163687148 372030743 /nfs/dbraw/zinc/03/07/43/372030743.db2.gz OXPMJBSWGVZBHH-MRVPVSSYSA-N 1 0 212.684 1.279 10 0 BDAERO CC(C)[C@H](C[NH3+])Nc1ncncc1Cl ZINC000163687793 372031059 /nfs/dbraw/zinc/03/10/59/372031059.db2.gz DQNHOKCKQBJRCE-QMMMGPOBSA-N 1 0 214.700 1.525 10 0 BDAERO CNC(=[NH2+])c1ccc(Br)cn1 ZINC000133373815 372031911 /nfs/dbraw/zinc/03/19/11/372031911.db2.gz KGLKAZCXTOBIIX-UHFFFAOYSA-N 1 0 214.066 1.389 10 0 BDAERO NC1=[NH+][C@H](c2ccc(Cl)s2)COC1 ZINC000306587731 372040637 /nfs/dbraw/zinc/04/06/37/372040637.db2.gz SPXGKRVQIQHPBB-YFKPBYRVSA-N 1 0 216.693 1.830 10 0 BDAERO C[C@@H](c1cncs1)N1CCC([NH3+])CC1 ZINC000229144157 372122036 /nfs/dbraw/zinc/12/20/36/372122036.db2.gz FQFKQFYIDPFLFG-QMMMGPOBSA-N 1 0 211.334 1.627 10 0 BDAERO CSC(C)(C)C[N@@H+]1CCCN[C@@H](C)C1 ZINC000229143429 372122261 /nfs/dbraw/zinc/12/22/61/372122261.db2.gz QSRWKTROOPCONZ-JTQLQIEISA-N 1 0 216.394 1.812 10 0 BDAERO OCC[NH2+]CC1CC(OCc2ccccc2)C1 ZINC000228678614 372067185 /nfs/dbraw/zinc/06/71/85/372067185.db2.gz ABYMIQIESLDDBD-UHFFFAOYSA-N 1 0 235.327 1.564 10 0 BDAERO [NH3+][C@@H](c1cnsc1)[C@@H]1CSCCS1 ZINC000404597367 372095961 /nfs/dbraw/zinc/09/59/61/372095961.db2.gz SDQJXMPEIOTNEU-YUMQZZPRSA-N 1 0 232.399 1.992 10 0 BDAERO CC(=O)[C@@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000307592475 372129891 /nfs/dbraw/zinc/12/98/91/372129891.db2.gz FEHZZGGBYXPNLZ-RKDXNWHRSA-N 1 0 201.335 1.791 10 0 BDAERO C[NH2+][C@]1(c2nccs2)CCCN(C)C1 ZINC000134334733 372198476 /nfs/dbraw/zinc/19/84/76/372198476.db2.gz UXNLSLZMVRPUNU-SNVBAGLBSA-N 1 0 211.334 1.283 10 0 BDAERO Clc1cncc(N2CCC[NH2+]CC2)c1 ZINC000038276545 372530024 /nfs/dbraw/zinc/53/00/24/372530024.db2.gz LYMBELAAKZROPC-UHFFFAOYSA-N 1 0 211.696 1.535 10 0 BDAERO CC[C@H]([NH2+][C@@H]1COCC[C@H]1O)[C@@H]1CC1(C)C ZINC000631751094 372552780 /nfs/dbraw/zinc/55/27/80/372552780.db2.gz TWEKYFOMPZMQFZ-NNYUYHANSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H]1CN(Cc2cscn2)C[C@@H]1C[NH3+] ZINC000631841166 372637711 /nfs/dbraw/zinc/63/77/11/372637711.db2.gz YYNMAWPCQPYAPE-IUCAKERBSA-N 1 0 211.334 1.170 10 0 BDAERO C[C@@H]1CN(Cc2cc(F)ccc2F)C[C@@H]1C[NH3+] ZINC000631840868 372638515 /nfs/dbraw/zinc/63/85/15/372638515.db2.gz GRYUNPOXJWCQSO-KOLCDFICSA-N 1 0 240.297 1.991 10 0 BDAERO C[C@H]1CN(Cc2cccc(F)c2F)C[C@@H]1C[NH3+] ZINC000631841815 372639178 /nfs/dbraw/zinc/63/91/78/372639178.db2.gz QBOHKZUVOCQQDX-ONGXEEELSA-N 1 0 240.297 1.991 10 0 BDAERO O=C(CO[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000095072829 182000376 /nfs/dbraw/zinc/00/03/76/182000376.db2.gz BJSITFMLXZYLST-MRVPVSSYSA-N 1 0 211.286 1.309 10 0 BDAERO O=C(C[C@@H]1CCCC[NH2+]1)NC[C@@H]1CCCCO1 ZINC000042824949 182016379 /nfs/dbraw/zinc/01/63/79/182016379.db2.gz MWIPAOVHSWWCIF-RYUDHWBXSA-N 1 0 240.347 1.204 10 0 BDAERO O=C(C[C@@H]1CC[NH2+]C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000129422945 182021112 /nfs/dbraw/zinc/02/11/12/182021112.db2.gz VPSQNKNJSSGMAT-AVGNSLFASA-N 1 0 236.359 1.635 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cn1 ZINC000042165874 182017670 /nfs/dbraw/zinc/01/76/70/182017670.db2.gz HUSCLEYJOKLHOD-VIFPVBQESA-N 1 0 239.706 1.816 10 0 BDAERO O=C(Cc1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000041215678 182046446 /nfs/dbraw/zinc/04/64/46/182046446.db2.gz MARRCQJEKDUHKH-LLVKDONJSA-N 1 0 207.248 1.689 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CC=CCC2)C1 ZINC000172486485 372990944 /nfs/dbraw/zinc/99/09/44/372990944.db2.gz YDTXZGNDVWTBGF-NEPJUHHUSA-N 1 0 237.347 1.441 10 0 BDAERO O=C(Cc1ccoc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000122056614 182055318 /nfs/dbraw/zinc/05/53/18/182055318.db2.gz YJYDPBJPMCTQKK-CYBMUJFWSA-N 1 0 248.326 1.519 10 0 BDAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1O ZINC000040740721 182119004 /nfs/dbraw/zinc/11/90/04/182119004.db2.gz MCBVDMKLLREAJP-ZACCUICWSA-N 1 0 246.310 1.405 10 0 BDAERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)C(F)(F)F ZINC000069728479 373659087 /nfs/dbraw/zinc/65/90/87/373659087.db2.gz FVUGBAARDQTUGQ-NKWVEPMBSA-N 1 0 224.226 1.135 10 0 BDAERO CC(C)(C)OC(=O)N1CCC([NH3+])(CC[NH3+])CC1 ZINC000142703454 373845430 /nfs/dbraw/zinc/84/54/30/373845430.db2.gz FEBXDKKNYMKCQQ-UHFFFAOYSA-N 1 0 243.351 1.064 10 0 BDAERO Nc1ncccc1[C@@H]([NH3+])CC(F)(F)F ZINC000069845394 373876585 /nfs/dbraw/zinc/87/65/85/373876585.db2.gz ARYQVMBFMOOXHU-LURJTMIESA-N 1 0 205.183 1.616 10 0 BDAERO CC(=O)[C@H](C)[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000069908837 373999692 /nfs/dbraw/zinc/99/96/92/373999692.db2.gz ISPPTNRIBYTGNY-CIUDSAMLSA-N 1 0 201.335 1.790 10 0 BDAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CC1=CCCOC1 ZINC000189994260 205888578 /nfs/dbraw/zinc/88/85/78/205888578.db2.gz IRSDOVUDLQUHDC-CYBMUJFWSA-N 1 0 239.315 1.361 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@H]2CCSC2)n1 ZINC000070005013 374110391 /nfs/dbraw/zinc/11/03/91/374110391.db2.gz ZSPMUUCYHHVPTI-BQBZGAKWSA-N 1 0 213.306 1.352 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1nncs1 ZINC000069967392 374104027 /nfs/dbraw/zinc/10/40/27/374104027.db2.gz LWAOLWACTVCTSM-QMMMGPOBSA-N 1 0 212.322 1.116 10 0 BDAERO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1[NH3+] ZINC000143235898 374145068 /nfs/dbraw/zinc/14/50/68/374145068.db2.gz JFIOQONBMVOTPB-IUCAKERBSA-N 1 0 228.336 1.837 10 0 BDAERO O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(O)cc1 ZINC000019389904 182236913 /nfs/dbraw/zinc/23/69/13/182236913.db2.gz IOOFWZTVCUCZMK-LLVKDONJSA-N 1 0 234.299 1.264 10 0 BDAERO O=C(NC[C@H]1CCC[NH2+]1)c1c[nH]c2ccccc12 ZINC000053253560 182237741 /nfs/dbraw/zinc/23/77/41/182237741.db2.gz RMAUCVJSDPJXNZ-SNVBAGLBSA-N 1 0 243.310 1.650 10 0 BDAERO C[NH2+][C@H](C)c1csc([C@H]2CCOC2)n1 ZINC000070842151 374204690 /nfs/dbraw/zinc/20/46/90/374204690.db2.gz TVIRBLBCKHZMBE-SFYZADRCSA-N 1 0 212.318 1.927 10 0 BDAERO NC(=S)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000143906805 374258319 /nfs/dbraw/zinc/25/83/19/374258319.db2.gz SXSKQICXHDANJG-NSHDSACASA-N 1 0 220.341 1.795 10 0 BDAERO C[C@H]1c2ccsc2CC[N@H+]1CC(N)=S ZINC000042766006 374288269 /nfs/dbraw/zinc/28/82/69/374288269.db2.gz WMJCYYXDRIKGPL-ZETCQYMHSA-N 1 0 226.370 1.953 10 0 BDAERO O=C(N[C@@H]1CCC[NH2+]C1)C1[C@@H]2CCCC[C@H]12 ZINC000129029149 182294062 /nfs/dbraw/zinc/29/40/62/182294062.db2.gz GPRBMYRBZVCXDC-YIBTVLSRSA-N 1 0 222.332 1.291 10 0 BDAERO O=C(N[C@@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000036288012 182304730 /nfs/dbraw/zinc/30/47/30/182304730.db2.gz WJCYWOGWJPFHSQ-SECBINFHSA-N 1 0 206.245 1.137 10 0 BDAERO O=C(N[C@H]1CCCc2ccccc21)[C@H]1CC[NH2+]1 ZINC000335523337 182334322 /nfs/dbraw/zinc/33/43/22/182334322.db2.gz DAQZARRUCSBIFJ-QWHCGFSZSA-N 1 0 230.311 1.542 10 0 BDAERO O=C(N[C@]12CC[C@@H]1C[NH2+]C2)OCc1ccccc1 ZINC000091304333 182347266 /nfs/dbraw/zinc/34/72/66/182347266.db2.gz ATIGQRMQHOITAW-OCCSQVGLSA-N 1 0 246.310 1.665 10 0 BDAERO O=C(Nc1cccc2n[nH]cc21)[C@H]1CCC[NH2+]C1 ZINC000037769533 182373596 /nfs/dbraw/zinc/37/35/96/182373596.db2.gz WBKAXQHOLLWUBV-VIFPVBQESA-N 1 0 244.298 1.501 10 0 BDAERO O=C(Nc1cnoc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104200180 182397079 /nfs/dbraw/zinc/39/70/79/182397079.db2.gz LTEQERKVNNIVAJ-MRVPVSSYSA-N 1 0 249.192 1.155 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H]2CCOC2)[C@@H]2CCO[C@@H]21 ZINC000224428683 259574253 /nfs/dbraw/zinc/57/42/53/259574253.db2.gz IWVIYVGJLFNCLX-KXNHARMFSA-N 1 0 225.332 1.426 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1nnc(C2CC2)o1 ZINC000061298923 170107889 /nfs/dbraw/zinc/10/78/89/170107889.db2.gz UXJXHERHPKHHBH-UHFFFAOYSA-N 1 0 238.291 1.274 10 0 BDAERO CCOC(=O)[C@@H](CC(C)(C)C)N1CC[NH2+]CC1 ZINC000061840406 170249918 /nfs/dbraw/zinc/24/99/18/170249918.db2.gz NBVUZGINHKONNA-LLVKDONJSA-N 1 0 242.363 1.260 10 0 BDAERO O=C1CC2(CC[NH2+]CC2)N1c1ccccc1 ZINC000034586238 182721609 /nfs/dbraw/zinc/72/16/09/182721609.db2.gz PVXPBVFOSCAEHS-UHFFFAOYSA-N 1 0 216.284 1.546 10 0 BDAERO O=C1N(Cc2ccccc2)CCN1[C@@H]1CC[NH2+]C1 ZINC000096984196 182789090 /nfs/dbraw/zinc/78/90/90/182789090.db2.gz UNTIKAQJGRTHJZ-CYBMUJFWSA-N 1 0 245.326 1.286 10 0 BDAERO O=C1Nc2cc(F)ccc2[C@@]12CC[NH2+]C2 ZINC000107147266 182823242 /nfs/dbraw/zinc/82/32/42/182823242.db2.gz MILYDUVTTCCNHG-NSHDSACASA-N 1 0 206.220 1.009 10 0 BDAERO CCO[C@H]1C[C@H](O)C12CC[NH+](C1CCC1)CC2 ZINC000178996279 134314021 /nfs/dbraw/zinc/31/40/21/134314021.db2.gz LASPHABOPGYBFB-STQMWFEESA-N 1 0 239.359 1.791 10 0 BDAERO O=S1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000042354081 182918098 /nfs/dbraw/zinc/91/80/98/182918098.db2.gz FDLKTKPQUSXDFR-LOIXOFCESA-N 1 0 231.361 1.056 10 0 BDAERO O=c1ccncn1CC[NH2+]CCc1ccsc1 ZINC000104271446 183005706 /nfs/dbraw/zinc/00/57/06/183005706.db2.gz PEVQOJFFEOIUGO-UHFFFAOYSA-N 1 0 249.339 1.137 10 0 BDAERO O=c1cnc2ccccc2n1CC[NH2+]C1CC1 ZINC000042410103 183006501 /nfs/dbraw/zinc/00/65/01/183006501.db2.gz FSOKJHPFBKNDRO-UHFFFAOYSA-N 1 0 229.283 1.149 10 0 BDAERO OC1(CC[N@@H+]2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000336540209 183015290 /nfs/dbraw/zinc/01/52/90/183015290.db2.gz LEFZVZHXBAIGDZ-CYBMUJFWSA-N 1 0 239.359 1.794 10 0 BDAERO OC1(C(F)(F)F)C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000057218902 183016066 /nfs/dbraw/zinc/01/60/66/183016066.db2.gz CIKUVALPELDGLU-DHBOJHSNSA-N 1 0 209.211 1.584 10 0 BDAERO OC1(C[NH+]2CCC(C(F)F)CC2)CCC1 ZINC000335529452 183018864 /nfs/dbraw/zinc/01/88/64/183018864.db2.gz ICVUQZVNYYOWDE-UHFFFAOYSA-N 1 0 219.275 1.879 10 0 BDAERO OCC1CC[NH+](C[C@@H]2CCCCC[C@H]2O)CC1 ZINC000053881422 183041128 /nfs/dbraw/zinc/04/11/28/183041128.db2.gz DCRIRNWHHFYSIN-UONOGXRCSA-N 1 0 241.375 1.632 10 0 BDAERO OCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000049815455 183035643 /nfs/dbraw/zinc/03/56/43/183035643.db2.gz UWYHTKXICZBCLK-UHFFFAOYSA-N 1 0 213.321 1.261 10 0 BDAERO OCC1([NH2+][C@@H]2CCCC[C@H]2O)CCCCC1 ZINC000053096890 183037686 /nfs/dbraw/zinc/03/76/86/183037686.db2.gz JWVVKGPXJHHOGU-VXGBXAGGSA-N 1 0 227.348 1.575 10 0 BDAERO OCC1([NH2+][C@H]2CCCCC[C@@H]2O)CCCC1 ZINC000053069152 183037691 /nfs/dbraw/zinc/03/76/91/183037691.db2.gz AALBTYBKKGUEJE-RYUDHWBXSA-N 1 0 227.348 1.575 10 0 BDAERO OCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000053884278 183070018 /nfs/dbraw/zinc/07/00/18/183070018.db2.gz QLXLUQMYXZXYLQ-CABCVRRESA-N 1 0 249.354 1.642 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336652652 183095808 /nfs/dbraw/zinc/09/58/08/183095808.db2.gz XCYFZGYRCVGXNK-RYUDHWBXSA-N 1 0 213.321 1.117 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cocn1 ZINC000192316762 183115205 /nfs/dbraw/zinc/11/52/05/183115205.db2.gz SARNZFJCSNPLQG-ONGXEEELSA-N 1 0 210.277 1.315 10 0 BDAERO OCC[C@H]1CC[N@H+](CCCCCF)C1 ZINC000308473942 183098655 /nfs/dbraw/zinc/09/86/55/183098655.db2.gz KHDRQLNASKHZTB-LLVKDONJSA-N 1 0 203.301 1.831 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307977597 183099210 /nfs/dbraw/zinc/09/92/10/183099210.db2.gz JYSQGADIVDDPKU-BDAKNGLRSA-N 1 0 241.253 1.004 10 0 BDAERO OC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCOC1 ZINC000063218344 183106196 /nfs/dbraw/zinc/10/61/96/183106196.db2.gz LYQZDVOHHGLSPY-UONOGXRCSA-N 1 0 235.327 1.216 10 0 BDAERO OC[C@@H]([NH2+]C1CCCC1)c1ccc(O)cc1 ZINC000038122955 183107689 /nfs/dbraw/zinc/10/76/89/183107689.db2.gz BYXAAFDJYFMASF-CYBMUJFWSA-N 1 0 221.300 1.958 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000308876324 183131674 /nfs/dbraw/zinc/13/16/74/183131674.db2.gz NNSGYTFQZLOZMD-WCQYABFASA-N 1 0 203.285 1.124 10 0 BDAERO OC[C@H](Cc1ccccc1)[NH2+]CC1CCOCC1 ZINC000063219000 183138798 /nfs/dbraw/zinc/13/87/98/183138798.db2.gz KBGBCBXDGCGRSY-HNNXBMFYSA-N 1 0 249.354 1.606 10 0 BDAERO OC[C@@H]1CCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000095423273 183122723 /nfs/dbraw/zinc/12/27/23/183122723.db2.gz NRMGJPSWNOVQKM-DZGCQCFKSA-N 1 0 231.339 1.904 10 0 BDAERO OC[C@H](O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000077585460 183143664 /nfs/dbraw/zinc/14/36/64/183143664.db2.gz BWOACBNJAYFPKH-PSASIEDQSA-N 1 0 227.329 1.068 10 0 BDAERO OC[C@@H]1[NH2+]CCc2c(F)ccc(Cl)c21 ZINC000075748248 183131357 /nfs/dbraw/zinc/13/13/57/183131357.db2.gz KLNZNMMSGDQXDK-VIFPVBQESA-N 1 0 215.655 1.658 10 0 BDAERO CCCN(C(=O)[C@H]1CCCC[NH2+]1)C(C)C ZINC000037096249 169045269 /nfs/dbraw/zinc/04/52/69/169045269.db2.gz PWIMMFLIDBYYOP-LLVKDONJSA-N 1 0 212.337 1.776 10 0 BDAERO OCc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)o1 ZINC000084225298 183165332 /nfs/dbraw/zinc/16/53/32/183165332.db2.gz UTIWHBIKMNOUEA-BXKDBHETSA-N 1 0 225.288 1.023 10 0 BDAERO CCCN(C(=O)C[NH3+])c1ccccc1OCC ZINC000076619303 169042083 /nfs/dbraw/zinc/04/20/83/169042083.db2.gz HQZRUAIPWOTFHB-UHFFFAOYSA-N 1 0 236.315 1.787 10 0 BDAERO CCCN(C(=O)NC1CC1)[C@H]1CCC[NH2+]C1 ZINC000054457085 169043081 /nfs/dbraw/zinc/04/30/81/169043081.db2.gz UIULYXQKORCDMU-NSHDSACASA-N 1 0 225.336 1.322 10 0 BDAERO O[C@@H](c1cc(F)ccc1F)C1CC[NH2+]CC1 ZINC000036161933 183185155 /nfs/dbraw/zinc/18/51/55/183185155.db2.gz GVXVUILANINSPW-GFCCVEGCSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)c1ccc2c(c1)CCC2 ZINC000049816394 183177363 /nfs/dbraw/zinc/17/73/63/183177363.db2.gz BQNFTOVOMCUJSW-AWEZNQCLSA-N 1 0 217.312 1.961 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)COc1ccc(F)c(F)c1 ZINC000032100909 183178098 /nfs/dbraw/zinc/17/80/98/183178098.db2.gz NSMZAEUVHBGXPD-VIFPVBQESA-N 1 0 243.253 1.457 10 0 BDAERO O[C@@H](C[NH2+]C1COC1)c1ccc(Cl)cc1 ZINC000087195291 183178917 /nfs/dbraw/zinc/17/89/17/183178917.db2.gz OFJYLHURFIRQHT-NSHDSACASA-N 1 0 227.691 1.362 10 0 BDAERO OCc1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000104338072 183168698 /nfs/dbraw/zinc/16/86/98/183168698.db2.gz KKTDERZYUFFURP-GFCCVEGCSA-N 1 0 235.327 1.947 10 0 BDAERO O[C@@H](CC[NH2+]C[C@@H]1CCCO1)c1cccs1 ZINC000049830698 183174311 /nfs/dbraw/zinc/17/43/11/183174311.db2.gz HMNKSOPRQWDBEZ-QWRGUYRKSA-N 1 0 241.356 1.940 10 0 BDAERO O[C@@H](CCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000041214209 183174527 /nfs/dbraw/zinc/17/45/27/183174527.db2.gz QZIGHWOKYXPGMR-STQMWFEESA-N 1 0 205.301 1.732 10 0 BDAERO O[C@@H](c1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000036906327 183185052 /nfs/dbraw/zinc/18/50/52/183185052.db2.gz HTBLWKRTXHLAEJ-QPUJVOFHSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000049181097 183197035 /nfs/dbraw/zinc/19/70/35/183197035.db2.gz IMYGKJUUHSDTLG-GHMZBOCLSA-N 1 0 211.330 1.794 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@H]1Cc1ccccc1Cl ZINC000071532575 183200920 /nfs/dbraw/zinc/20/09/20/183200920.db2.gz IKZIAXAHJHHGMT-ZYHUDNBSSA-N 1 0 225.719 1.853 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000032104412 183185394 /nfs/dbraw/zinc/18/53/94/183185394.db2.gz UVBJEHDVTOBHLF-RISCZKNCSA-N 1 0 249.310 1.491 10 0 BDAERO O[C@@H](c1ccc2c(c1)CCCO2)[C@@H]1CCC[NH2+]1 ZINC000062616203 183186099 /nfs/dbraw/zinc/18/60/99/183186099.db2.gz SGENDCZPCFUBEF-JSGCOSHPSA-N 1 0 233.311 1.797 10 0 BDAERO O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000037881298 183188569 /nfs/dbraw/zinc/18/85/69/183188569.db2.gz XYAREXNEBNQABY-QWHCGFSZSA-N 1 0 220.316 1.865 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000336886567 183192436 /nfs/dbraw/zinc/19/24/36/183192436.db2.gz GQQJUYROZKQDRS-BFHYXJOUSA-N 1 0 247.338 1.883 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000037490092 183195164 /nfs/dbraw/zinc/19/51/64/183195164.db2.gz NOMAYZBGRPMAJT-QWHCGFSZSA-N 1 0 223.291 1.871 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccs1 ZINC000084224259 183195670 /nfs/dbraw/zinc/19/56/70/183195670.db2.gz MYIBSQKNSSABAV-MWLCHTKSSA-N 1 0 211.330 1.999 10 0 BDAERO O[C@@]1(c2cccc3cnccc32)CCC[NH2+]C1 ZINC000104108243 183218410 /nfs/dbraw/zinc/21/84/10/183218410.db2.gz WKVCFZHYGMRHLU-AWEZNQCLSA-N 1 0 228.295 1.806 10 0 BDAERO O[C@H](C[NH2+]C1CC1)COc1cccc(Cl)c1 ZINC000032099996 183222777 /nfs/dbraw/zinc/22/27/77/183222777.db2.gz XIOCHJTVXYQOSP-LLVKDONJSA-N 1 0 241.718 1.832 10 0 BDAERO O[C@H](C[NH2+]C1CC1)Cc1ccc(Cl)cc1 ZINC000071532643 183223052 /nfs/dbraw/zinc/22/30/52/183223052.db2.gz PBSFGWYBHBKMDS-LBPRGKRZSA-N 1 0 225.719 1.995 10 0 BDAERO O[C@H](C[NH2+]CCc1ccccc1)c1ccccn1 ZINC000032100316 183224254 /nfs/dbraw/zinc/22/42/54/183224254.db2.gz WYQGMDMUFIRIKB-OAHLLOKOSA-N 1 0 242.322 1.947 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]CCN1CCCC1 ZINC000054126921 183231199 /nfs/dbraw/zinc/23/11/99/183231199.db2.gz OWQXDIMTOXFOCO-OLZOCXBDSA-N 1 0 226.364 1.365 10 0 BDAERO CCC[N@H+](C)[C@H]1Cc2ccccc2[C@@H]1N ZINC000037098352 169088206 /nfs/dbraw/zinc/08/82/06/169088206.db2.gz ZEWNCQDDEZMHDY-STQMWFEESA-N 1 0 204.317 1.953 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000049575098 183231636 /nfs/dbraw/zinc/23/16/36/183231636.db2.gz DGAXCJOMFRZPEO-STQMWFEESA-N 1 0 226.364 1.365 10 0 BDAERO CCCN(CC(=O)NC)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042406216 169095735 /nfs/dbraw/zinc/09/57/35/169095735.db2.gz HOLHDTFFFTXTCI-NWDGAFQWSA-N 1 0 241.379 1.104 10 0 BDAERO O[C@H]1CCC[C@H]1N1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104426313 183238174 /nfs/dbraw/zinc/23/81/74/183238174.db2.gz AJRATMHGNKADJR-MCIONIFRSA-N 1 0 238.375 1.506 10 0 BDAERO CCCN(CC)C(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051792554 169115990 /nfs/dbraw/zinc/11/59/90/169115990.db2.gz XZENLZOZHOAHHF-WDEREUQCSA-N 1 0 212.337 1.633 10 0 BDAERO CCCN(CC)C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000037095323 169116019 /nfs/dbraw/zinc/11/60/19/169116019.db2.gz GPZPIGKHHYYICF-WDEREUQCSA-N 1 0 212.337 1.633 10 0 BDAERO CCCN(CC)C(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000037095320 169116472 /nfs/dbraw/zinc/11/64/72/169116472.db2.gz KZIIEPIHOVYSLU-MNOVXSKESA-N 1 0 212.337 1.776 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000049565154 183232533 /nfs/dbraw/zinc/23/25/33/183232533.db2.gz MKOUVNVKRMHDPW-RQJABVFESA-N 1 0 238.375 1.506 10 0 BDAERO O[C@H]1CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000037490024 183237073 /nfs/dbraw/zinc/23/70/73/183237073.db2.gz YKIAQVQRDCNJGG-RYUDHWBXSA-N 1 0 206.289 1.127 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000051017439 183237601 /nfs/dbraw/zinc/23/76/01/183237601.db2.gz PEITYYOPDHWHOB-NEPJUHHUSA-N 1 0 227.254 1.968 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]CCn1cccn1 ZINC000042538951 183282009 /nfs/dbraw/zinc/28/20/09/183282009.db2.gz KWIYBWOXXIWJIO-LBPRGKRZSA-N 1 0 245.282 1.312 10 0 BDAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C[C@@H]1CCCCO1 ZINC000042813066 183281679 /nfs/dbraw/zinc/28/16/79/183281679.db2.gz RGEPIXSMSNNMMU-WCQYABFASA-N 1 0 249.310 1.984 10 0 BDAERO Oc1ccc2c(c1)C[C@H]1CCC[NH2+][C@H]1C2 ZINC000039209717 183280147 /nfs/dbraw/zinc/28/01/47/183280147.db2.gz LFUCQBCYFTZJHM-MFKMUULPSA-N 1 0 203.285 1.859 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H]1CCCO1 ZINC000019963826 183281869 /nfs/dbraw/zinc/28/18/69/183281869.db2.gz BHWVJDQIRGFEJL-PWSUYJOCSA-N 1 0 235.283 1.594 10 0 BDAERO Oc1ccc2c(c1)OC[C@H]2N1CCC[NH2+]CC1 ZINC000038086996 183281304 /nfs/dbraw/zinc/28/13/04/183281304.db2.gz HZJXLQCENNBBPY-GFCCVEGCSA-N 1 0 234.299 1.121 10 0 BDAERO CCC[N@@H+](Cc1cccc(N)c1)C[C@H](C)C(N)=O ZINC000035064635 169178004 /nfs/dbraw/zinc/17/80/04/169178004.db2.gz CZRJAKOSZKXQIF-NSHDSACASA-N 1 0 249.358 1.602 10 0 BDAERO CCCN(CCC[NH3+])C(=O)c1ncccc1C ZINC000051790520 169155640 /nfs/dbraw/zinc/15/56/40/169155640.db2.gz SPQYSSKUZWFXIU-UHFFFAOYSA-N 1 0 235.331 1.591 10 0 BDAERO Oc1cccc2c1CC[C@H]2[NH2+]CCc1cn[nH]c1 ZINC000298186145 183296023 /nfs/dbraw/zinc/29/60/23/183296023.db2.gz WHMAKEYBVZEGMF-CYBMUJFWSA-N 1 0 243.310 1.935 10 0 BDAERO Oc1ccccc1OC[C@H]1[NH2+]CCS1 ZINC000027562868 183304201 /nfs/dbraw/zinc/30/42/01/183304201.db2.gz OHRVIKONBLIBJX-JTQLQIEISA-N 1 0 211.286 1.434 10 0 BDAERO CCC[NH+]1CCC(N(C)C(=O)CC(C)=O)CC1 ZINC000038101994 169186704 /nfs/dbraw/zinc/18/67/04/169186704.db2.gz GJSJVBXTHKIRPX-UHFFFAOYSA-N 1 0 240.347 1.298 10 0 BDAERO c1c(C[NH2+][C@H]2CCSC2)nc2n1CCCC2 ZINC000268825529 183321539 /nfs/dbraw/zinc/32/15/39/183321539.db2.gz IBFVXLGOKFOPFD-JTQLQIEISA-N 1 0 237.372 1.815 10 0 BDAERO c1c([C@H]2CC[NH2+]C2)nc2n1CCCS2 ZINC000082374806 183322059 /nfs/dbraw/zinc/32/20/59/183322059.db2.gz XJSNLPYGMBAQOA-QMMMGPOBSA-N 1 0 209.318 1.456 10 0 BDAERO c1c[nH]c(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000117666840 183322756 /nfs/dbraw/zinc/32/27/56/183322756.db2.gz PXQUAGSAJOCJTQ-QMMMGPOBSA-N 1 0 218.260 1.532 10 0 BDAERO c1cc(-c2cc(N3CC[NH2+]CC3)n[nH]2)cs1 ZINC000062669959 183329246 /nfs/dbraw/zinc/32/92/46/183329246.db2.gz BUUDWRWWYMEYFW-UHFFFAOYSA-N 1 0 234.328 1.548 10 0 BDAERO CCCN(Cc1cnccn1)C1CC[NH2+]CC1 ZINC000037538998 169179353 /nfs/dbraw/zinc/17/93/53/169179353.db2.gz VKSZHHMQPWFMOJ-UHFFFAOYSA-N 1 0 234.347 1.441 10 0 BDAERO c1cc(CCN2CC[N@@H+]3CCCC[C@H]3C2)ccn1 ZINC000246184720 183336652 /nfs/dbraw/zinc/33/66/52/183336652.db2.gz LHRGGMDDKAFAPB-HNNXBMFYSA-N 1 0 245.370 1.794 10 0 BDAERO c1cc(CC[NH2+][C@@H]2CCN(C3CC3)C2)ccn1 ZINC000044722267 183337947 /nfs/dbraw/zinc/33/79/47/183337947.db2.gz MIPSZANEOSNRQG-CYBMUJFWSA-N 1 0 231.343 1.450 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000057529386 169232227 /nfs/dbraw/zinc/23/22/27/169232227.db2.gz TVSLDCUXXNPNAL-LLVKDONJSA-N 1 0 238.306 1.784 10 0 BDAERO CCC[N@@H+]1CC[C@H](CC(=O)OC)[C@H](C)C1 ZINC000073654083 169207248 /nfs/dbraw/zinc/20/72/48/169207248.db2.gz ZXWZCPGSYLTMHC-GHMZBOCLSA-N 1 0 213.321 1.918 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1ccc(OC)cc1 ZINC000032012204 169262881 /nfs/dbraw/zinc/26/28/81/169262881.db2.gz ZXBJXGBJTLGKQR-GFCCVEGCSA-N 1 0 209.289 1.728 10 0 BDAERO CCC[NH2+]C1(C(N)=O)CCCCCCC1 ZINC000037870074 169254259 /nfs/dbraw/zinc/25/42/59/169254259.db2.gz RCCWBQSOMDPEFC-UHFFFAOYSA-N 1 0 212.337 1.954 10 0 BDAERO CCC[NH2+]C1(C(N)=O)Cc2ccccc2C1 ZINC000037870100 169254476 /nfs/dbraw/zinc/25/44/76/169254476.db2.gz SXUKAUCAKYLZQA-UHFFFAOYSA-N 1 0 218.300 1.009 10 0 BDAERO CCC[NH2+]CC(=O)c1cccc(OC)c1 ZINC000041613349 169255737 /nfs/dbraw/zinc/25/57/37/169255737.db2.gz BLLRKHCSVJPPEC-UHFFFAOYSA-N 1 0 207.273 1.878 10 0 BDAERO CCC[NH2+]CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000044648270 169256174 /nfs/dbraw/zinc/25/61/74/169256174.db2.gz HVYQZQPUECDKNF-UHFFFAOYSA-N 1 0 232.287 1.501 10 0 BDAERO c1cc(CC[C@@H]2COCC[NH2+]2)cc2c1OCO2 ZINC000071545370 183368293 /nfs/dbraw/zinc/36/82/93/183368293.db2.gz NTMJAHKJGWFNLP-LLVKDONJSA-N 1 0 235.283 1.336 10 0 BDAERO CCC[NH2+]C[C@@H]1CCCCN1Cc1ncccn1 ZINC000054460356 169262224 /nfs/dbraw/zinc/26/22/24/169262224.db2.gz ULSLZDSJXOAQHL-ZDUSSCGKSA-N 1 0 248.374 1.831 10 0 BDAERO CCCNC(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC000037470268 169234532 /nfs/dbraw/zinc/23/45/32/169234532.db2.gz SJIFIIJDFMGYDI-SNVBAGLBSA-N 1 0 213.325 1.180 10 0 BDAERO c1cc2c(cc1[C@H]1C[NH2+]CCCO1)OCCCO2 ZINC000035598732 183372359 /nfs/dbraw/zinc/37/23/59/183372359.db2.gz YZSGNYSQOUPNEI-CQSZACIVSA-N 1 0 249.310 1.899 10 0 BDAERO CCCNC(=O)[C@@H](C)N1CCCC[C@@H]1CC[NH3+] ZINC000104315490 169240637 /nfs/dbraw/zinc/24/06/37/169240637.db2.gz BBRNRJHZKVXPSD-VXGBXAGGSA-N 1 0 241.379 1.104 10 0 BDAERO CCCNC(=O)[C@@H](C)N(CC[NH3+])C1CCCC1 ZINC000070975589 169241510 /nfs/dbraw/zinc/24/15/10/169241510.db2.gz HOTAJSCACVRULU-LLVKDONJSA-N 1 0 241.379 1.104 10 0 BDAERO CCCNC(=O)[C@@H](C)n1c(N)[nH+]c2ccccc21 ZINC000049220947 169243783 /nfs/dbraw/zinc/24/37/83/169243783.db2.gz HWNSWYCQVYFBCE-SECBINFHSA-N 1 0 246.314 1.706 10 0 BDAERO CCCNC(=O)[C@H](C)N1CCCC[C@@H]1CC[NH3+] ZINC000104315494 169246593 /nfs/dbraw/zinc/24/65/93/169246593.db2.gz BBRNRJHZKVXPSD-NWDGAFQWSA-N 1 0 241.379 1.104 10 0 BDAERO c1c[nH]c(-c2ccccc2C2=[NH+]CCN2)n1 ZINC000089202676 183383993 /nfs/dbraw/zinc/38/39/93/183383993.db2.gz VLPHYRWGWYBGIC-UHFFFAOYSA-N 1 0 212.256 1.427 10 0 BDAERO CCC[NH2+][C@H](CC[N@H+](C)CCC(C)C)C(=O)[O-] ZINC000062526190 169289470 /nfs/dbraw/zinc/28/94/70/169289470.db2.gz HESSLGUFPTYSDB-GFCCVEGCSA-N 1 0 244.379 1.807 10 0 BDAERO CCC[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000032014545 169263207 /nfs/dbraw/zinc/26/32/07/169263207.db2.gz XHIJSBYBYWWOIS-LBPRGKRZSA-N 1 0 223.316 1.734 10 0 BDAERO CCC[NH2+]C[C@H](C)N(CCOC)[C@@H](C)COC ZINC000052572267 169263494 /nfs/dbraw/zinc/26/34/94/169263494.db2.gz HLVXHVKULKAFAF-STQMWFEESA-N 1 0 246.395 1.358 10 0 BDAERO CCC[NH2+]C[C@H](O)c1ccc(OC)c(OC)c1 ZINC000033468568 169264635 /nfs/dbraw/zinc/26/46/35/169264635.db2.gz CUQTXAOYXYWJPU-NSHDSACASA-N 1 0 239.315 1.737 10 0 BDAERO CCC[NH2+]C[C@](C)(O)c1ccc(OC)cc1 ZINC000032014575 169264772 /nfs/dbraw/zinc/26/47/72/169264772.db2.gz VLODHZMHHLMBKB-ZDUSSCGKSA-N 1 0 223.316 1.902 10 0 BDAERO CCC[NH2+]C[C@H]1CC[C@@H](Cn2ccnc2C)O1 ZINC000052576187 169264959 /nfs/dbraw/zinc/26/49/59/169264959.db2.gz WRQZABJJJSIMJZ-OLZOCXBDSA-N 1 0 237.347 1.739 10 0 BDAERO CCC[NH2+]Cc1ccc(OCC(=O)NC)cc1 ZINC000034657926 169266808 /nfs/dbraw/zinc/26/68/08/169266808.db2.gz AYWCTBOXCVCBJW-UHFFFAOYSA-N 1 0 236.315 1.311 10 0 BDAERO CCC[NH2+]Cc1cccc2[nH]c(=O)[nH]c21 ZINC000034116377 169267505 /nfs/dbraw/zinc/26/75/05/169267505.db2.gz FQBMISITZWTNMY-UHFFFAOYSA-N 1 0 205.261 1.356 10 0 BDAERO CCC[NH2+]Cc1cccnc1N1CCCOCC1 ZINC000061935317 169267662 /nfs/dbraw/zinc/26/76/62/169267662.db2.gz KPBVQQGEIXCJMN-UHFFFAOYSA-N 1 0 249.358 1.808 10 0 BDAERO CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)nc1 ZINC000104101562 169268085 /nfs/dbraw/zinc/26/80/85/169268085.db2.gz ZSIBUCZKVMPLCR-GFCCVEGCSA-N 1 0 236.315 1.749 10 0 BDAERO c1ccc(CCc2ncc3c(n2)C[NH2+]CC3)cc1 ZINC000071341752 183395246 /nfs/dbraw/zinc/39/52/46/183395246.db2.gz VALGLENSHLFGOL-UHFFFAOYSA-N 1 0 239.322 1.908 10 0 BDAERO CCC[NH2+]Cc1ccccc1O[C@@H](C)C(N)=O ZINC000034658747 169268369 /nfs/dbraw/zinc/26/83/69/169268369.db2.gz XUIMNZNLGWUDPW-JTQLQIEISA-N 1 0 236.315 1.439 10 0 BDAERO CCC[NH2+]Cc1sc(N(C)C)nc1COC ZINC000082447057 169270817 /nfs/dbraw/zinc/27/08/17/169270817.db2.gz OXUWCNVXXPPNFT-UHFFFAOYSA-N 1 0 243.376 1.855 10 0 BDAERO CCC[NH2+]Cc1scnc1COC ZINC000082441191 169270927 /nfs/dbraw/zinc/27/09/27/169270927.db2.gz KCDXUIKRDGXDEL-UHFFFAOYSA-N 1 0 200.307 1.789 10 0 BDAERO CCC[NH2+][C@@H](C(N)=O)c1ccccc1OC ZINC000037870195 169273643 /nfs/dbraw/zinc/27/36/43/169273643.db2.gz YSPMLIZGCHHVNL-LLVKDONJSA-N 1 0 222.288 1.221 10 0 BDAERO c1ccc(CN2CCC[NH2+]CCC2)nc1 ZINC000049666532 183399669 /nfs/dbraw/zinc/39/96/69/183399669.db2.gz VUFURDCHEHBXSX-UHFFFAOYSA-N 1 0 205.305 1.267 10 0 BDAERO CCC[NH2+][C@@H](CN)c1ccc2c(c1)OCCO2 ZINC000050270629 169279673 /nfs/dbraw/zinc/27/96/73/169279673.db2.gz YECRJZZQMLDWSK-NSHDSACASA-N 1 0 236.315 1.457 10 0 BDAERO CCC[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000049647777 169281999 /nfs/dbraw/zinc/28/19/99/169281999.db2.gz ILHPTWKQVUEGRC-GFCCVEGCSA-N 1 0 224.348 1.920 10 0 BDAERO CCC[NH2+][C@@H]1CCOC[C@H]1OCCOCCC ZINC000104248656 169283251 /nfs/dbraw/zinc/28/32/51/169283251.db2.gz MLKNEDHLUDZLCE-CHWSQXEVSA-N 1 0 245.363 1.587 10 0 BDAERO CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000035760550 169283275 /nfs/dbraw/zinc/28/32/75/169283275.db2.gz YLEMYAZEWFBLJU-LLVKDONJSA-N 1 0 239.340 1.905 10 0 BDAERO CCC[NH2+][C@@H]1CCN(c2cccc(F)c2)C1=O ZINC000049647093 169283454 /nfs/dbraw/zinc/28/34/54/169283454.db2.gz FKQUDDZVWJTHSN-GFCCVEGCSA-N 1 0 236.290 1.931 10 0 BDAERO CCCOCCC(=O)NC[C@H]1CCC[C@H](C)[NH2+]1 ZINC000054434681 169308671 /nfs/dbraw/zinc/30/86/71/169308671.db2.gz BXRVKGRTBDSGNF-NWDGAFQWSA-N 1 0 242.363 1.450 10 0 BDAERO CCCOc1cc2c(cc1C[NH3+])OCO2 ZINC000042873646 169315544 /nfs/dbraw/zinc/31/55/44/169315544.db2.gz DFZZXDMLKHZEJS-UHFFFAOYSA-N 1 0 209.245 1.663 10 0 BDAERO CCC[NH2+][C@H]1CCCCC[C@H]1S(C)(=O)=O ZINC000054930521 169290940 /nfs/dbraw/zinc/29/09/40/169290940.db2.gz GUJTXQPBQCTQOS-WDEREUQCSA-N 1 0 233.377 1.732 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@H](C)c2cccnc2)C1=O ZINC000049648709 169291392 /nfs/dbraw/zinc/29/13/92/169291392.db2.gz ZZDGKERKHSFKGW-YPMHNXCESA-N 1 0 247.342 1.743 10 0 BDAERO CCC[NH2+][C@H]1CCOC[C@H]1N(C)C[C@@H]1C[C@@H]1C ZINC000104425198 169292042 /nfs/dbraw/zinc/29/20/42/169292042.db2.gz YRXPLDNTSCBESJ-XDQVBPFNSA-N 1 0 240.391 1.731 10 0 BDAERO CCC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000035760553 169292687 /nfs/dbraw/zinc/29/26/87/169292687.db2.gz YLEMYAZEWFBLJU-NSHDSACASA-N 1 0 239.340 1.905 10 0 BDAERO CCCNc1cc(C[NH+]2CCC(O)CC2)ccn1 ZINC000052709664 169293806 /nfs/dbraw/zinc/29/38/06/169293806.db2.gz BZGYQCYTCQHUKP-UHFFFAOYSA-N 1 0 249.358 1.860 10 0 BDAERO CCCNc1ncnc2c1cnn2CC[NH+](C)C ZINC000062367056 169296516 /nfs/dbraw/zinc/29/65/16/169296516.db2.gz QSKGMOFZEXFGSB-UHFFFAOYSA-N 1 0 248.334 1.210 10 0 BDAERO c1ccc2c(c1)OCC[C@@H]2N1CC[NH2+]CC1 ZINC000038086589 183452996 /nfs/dbraw/zinc/45/29/96/183452996.db2.gz PIUGFXSCAHKECM-LBPRGKRZSA-N 1 0 218.300 1.415 10 0 BDAERO c1ccc2c(c1)[nH]c1c2C[C@H]2C[NH2+]CCN2C1 ZINC000019366608 183455983 /nfs/dbraw/zinc/45/59/83/183455983.db2.gz FLWHGQJRIYDGPK-JTQLQIEISA-N 1 0 227.311 1.498 10 0 BDAERO CCCS(=O)(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000022220315 169334063 /nfs/dbraw/zinc/33/40/63/169334063.db2.gz BKEUHDRGFFHONP-VIFPVBQESA-N 1 0 242.344 1.858 10 0 BDAERO c1cnc2ccc([C@@H]3COCC[NH2+]3)cc2c1 ZINC000076136643 183486980 /nfs/dbraw/zinc/48/69/80/183486980.db2.gz PQVHIRVAONPRAO-ZDUSSCGKSA-N 1 0 214.268 1.896 10 0 BDAERO CCC[C@@H](C)[NH2+]CCN1CC[NH+](C2CC2)CC1 ZINC000053446233 169369977 /nfs/dbraw/zinc/36/99/77/169369977.db2.gz PFBKRJVUHBJWQJ-CYBMUJFWSA-N 1 0 239.407 1.545 10 0 BDAERO CCC[C@@H](C)[NH2+][C@H](C)C(=O)NCCCOC ZINC000034938777 169371715 /nfs/dbraw/zinc/37/17/15/169371715.db2.gz YELJBIDBOSODCD-GHMZBOCLSA-N 1 0 230.352 1.306 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CCCC[C@@H]21 ZINC000133809755 169388609 /nfs/dbraw/zinc/38/86/09/169388609.db2.gz KUJQIKPWLHEZBL-UTUOFQBUSA-N 1 0 224.348 1.905 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC(C)(C)CCCO ZINC000226704507 169389319 /nfs/dbraw/zinc/38/93/19/169389319.db2.gz CHEZZOLLVWWKPA-SNVBAGLBSA-N 1 0 230.352 1.029 10 0 BDAERO CCC[C@@H]([NH3+])c1nc2c(s1)CN(C)CC2 ZINC000041059333 169394205 /nfs/dbraw/zinc/39/42/05/169394205.db2.gz SPFBTWLGWIYPEJ-MRVPVSSYSA-N 1 0 225.361 1.931 10 0 BDAERO CC(C)(C)OC(=O)COc1ccc(C[NH3+])cc1 ZINC000095935026 166640678 /nfs/dbraw/zinc/64/06/78/166640678.db2.gz HFFULTGUWFFTKU-UHFFFAOYSA-N 1 0 237.299 1.866 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]([NH3+])C2CC2)C1 ZINC000096988586 166652506 /nfs/dbraw/zinc/65/25/06/166652506.db2.gz SUQAIOBDKAADQR-GHMZBOCLSA-N 1 0 240.347 1.981 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H](CC(N)=[NH2+])C1 ZINC000083324201 166654044 /nfs/dbraw/zinc/65/40/44/166654044.db2.gz LQCPJQXDWVFTJX-MRVPVSSYSA-N 1 0 227.308 1.569 10 0 BDAERO CCC[C@H](C)C[NH2+]CCC(=O)OCC ZINC000045686508 169481922 /nfs/dbraw/zinc/48/19/22/169481922.db2.gz ZAMNLRLXIQNVNO-JTQLQIEISA-N 1 0 201.310 1.965 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227431449 169533077 /nfs/dbraw/zinc/53/30/77/169533077.db2.gz QSTYUXDQZOUCRE-QCNOEVLYSA-N 1 0 224.348 1.666 10 0 BDAERO CCCc1cc(NC2CC[NH2+]CC2)nc(C)n1 ZINC000045950882 169566962 /nfs/dbraw/zinc/56/69/62/169566962.db2.gz FSYVYLMMFYHDSE-UHFFFAOYSA-N 1 0 234.347 1.901 10 0 BDAERO CCCn1c2ccc(C[NH3+])cc2[nH]c1=O ZINC000082639824 169611278 /nfs/dbraw/zinc/61/12/78/169611278.db2.gz QOIRSBDQXCHFJD-UHFFFAOYSA-N 1 0 205.261 1.198 10 0 BDAERO CCN(C(=O)CCCCCC[NH3+])[C@H](C)COC ZINC000037811884 169633291 /nfs/dbraw/zinc/63/32/91/169633291.db2.gz FEBBIDGANLWCIT-GFCCVEGCSA-N 1 0 244.379 1.779 10 0 BDAERO Cc1occc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000226279852 134362546 /nfs/dbraw/zinc/36/25/46/134362546.db2.gz XOXBNBLQMPVWHH-VXGBXAGGSA-N 1 0 209.289 1.933 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1nnc(C(F)F)s1 ZINC000307551858 532975389 /nfs/dbraw/zinc/97/53/89/532975389.db2.gz TZJMLJXARUHXMK-QWWZWVQMSA-N 1 0 222.264 1.623 10 0 BDAERO CCC[C@@H](CCO)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000227417125 134380781 /nfs/dbraw/zinc/38/07/81/134380781.db2.gz WERNYQHKESURDM-QWHCGFSZSA-N 1 0 228.380 1.517 10 0 BDAERO Cc1ccc(C(=O)NCC[C@@H](C)[NH3+])c(O)c1 ZINC000063170470 383881400 /nfs/dbraw/zinc/88/14/00/383881400.db2.gz YTICPZJTRVPXAN-SECBINFHSA-N 1 0 222.288 1.168 10 0 BDAERO CC[C@](C)(CCO)Nc1ccnc(C)n1 ZINC000131836403 383870338 /nfs/dbraw/zinc/87/03/38/383870338.db2.gz OLILBZUEGMWCRP-LLVKDONJSA-N 1 0 209.293 1.748 10 0 BDAERO [NH3+]CCc1cnc2cccc(Br)n12 ZINC000036291675 383892335 /nfs/dbraw/zinc/89/23/35/383892335.db2.gz QSUCAQSTCFNYJM-UHFFFAOYSA-N 1 0 240.104 1.598 10 0 BDAERO CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227576398 134386177 /nfs/dbraw/zinc/38/61/77/134386177.db2.gz RFBNTOBKHQKJKL-RYUDHWBXSA-N 1 0 243.347 1.423 10 0 BDAERO CC[C@]1(C(=O)NC[C@@H](C)C(C)C)CC[NH2+]C1 ZINC000081060631 383986371 /nfs/dbraw/zinc/98/63/71/383986371.db2.gz BFGYTVCGHYHJEJ-YPMHNXCESA-N 1 0 226.364 1.784 10 0 BDAERO CN[C@H](C[NH3+])c1ccc(Br)o1 ZINC000050269837 383990650 /nfs/dbraw/zinc/99/06/50/383990650.db2.gz ISOZYOFWCPGCHW-RXMQYKEDSA-N 1 0 219.082 1.261 10 0 BDAERO CCc1nc(C)cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000394036669 383994523 /nfs/dbraw/zinc/99/45/23/383994523.db2.gz AJLAGIZXHTUYEO-QMTHXVAHSA-N 1 0 248.374 1.769 10 0 BDAERO COC[C@@]1(C(=O)NCc2ccccc2)CCC[NH2+]1 ZINC000643613977 383994978 /nfs/dbraw/zinc/99/49/78/383994978.db2.gz HPYCZDIMFDIHMP-CQSZACIVSA-N 1 0 248.326 1.071 10 0 BDAERO Cc1ccc([C@H]([NH3+])[C@H]2COCCO2)s1 ZINC000055298798 383967790 /nfs/dbraw/zinc/96/77/90/383967790.db2.gz POOIGDLVBFMTNJ-PSASIEDQSA-N 1 0 213.302 1.472 10 0 BDAERO COC[C@@]1(C(=O)Nc2ccccc2C)CCC[NH2+]1 ZINC000643614936 384018573 /nfs/dbraw/zinc/01/85/73/384018573.db2.gz QUQWAOSZLJBJPC-CQSZACIVSA-N 1 0 248.326 1.702 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000401791560 384020456 /nfs/dbraw/zinc/02/04/56/384020456.db2.gz NYGSXZVAWSAULS-YNEHKIRRSA-N 1 0 228.380 1.730 10 0 BDAERO CCN(CC)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000091961683 384085010 /nfs/dbraw/zinc/08/50/10/384085010.db2.gz HCBGVEUSGOZIDF-QJPTWQEYSA-N 1 0 239.363 1.426 10 0 BDAERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)[nH]n1 ZINC000247243681 384064588 /nfs/dbraw/zinc/06/45/88/384064588.db2.gz NEWMVSYEEVEKGT-MNOVXSKESA-N 1 0 248.330 1.027 10 0 BDAERO [NH3+]Cc1ccc(Sc2nncs2)nc1 ZINC000035720228 384100947 /nfs/dbraw/zinc/10/09/47/384100947.db2.gz CTWYXQWRBLOREC-UHFFFAOYSA-N 1 0 224.314 1.543 10 0 BDAERO [NH3+]Cc1cccnc1Sc1nncs1 ZINC000035720225 384101221 /nfs/dbraw/zinc/10/12/21/384101221.db2.gz XCKGWAICMQHXTN-UHFFFAOYSA-N 1 0 224.314 1.543 10 0 BDAERO C[NH+](C)CCOc1ccc2c[nH]nc2c1 ZINC000005424588 384116174 /nfs/dbraw/zinc/11/61/74/384116174.db2.gz USXGIURUHXNYNN-UHFFFAOYSA-N 1 0 205.261 1.503 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccn1 ZINC000091667146 384137248 /nfs/dbraw/zinc/13/72/48/384137248.db2.gz IVZOLUFKODMKHD-RYUDHWBXSA-N 1 0 235.331 1.063 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccn1 ZINC000091667144 384138110 /nfs/dbraw/zinc/13/81/10/384138110.db2.gz IVZOLUFKODMKHD-NWDGAFQWSA-N 1 0 235.331 1.063 10 0 BDAERO CN(CCOCC[NH3+])c1ncnc2ccccc21 ZINC000302384375 384155619 /nfs/dbraw/zinc/15/56/19/384155619.db2.gz NCLBVRRCFYDOFW-UHFFFAOYSA-N 1 0 246.314 1.041 10 0 BDAERO Nc1nc(N)c2c([nH+]1)CC[C@H](c1ccccc1)C2 ZINC000005974703 384141325 /nfs/dbraw/zinc/14/13/25/384141325.db2.gz LJOIZEJKRJKAPI-JTQLQIEISA-N 1 0 240.310 1.914 10 0 BDAERO CCN(CC[NH3+])c1ccnc(C(F)(F)F)c1 ZINC000304305880 384175168 /nfs/dbraw/zinc/17/51/68/384175168.db2.gz PRPASAHHNDJBOE-UHFFFAOYSA-N 1 0 233.237 1.885 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000334744798 384166000 /nfs/dbraw/zinc/16/60/00/384166000.db2.gz AELHYDFPQJUVCJ-GWCFXTLKSA-N 1 0 248.326 1.773 10 0 BDAERO C[C@@](O)(CC[NH3+])c1cc(F)cc(F)c1 ZINC000071508198 384169186 /nfs/dbraw/zinc/16/91/86/384169186.db2.gz ABWAUUNBORZKMG-SNVBAGLBSA-N 1 0 201.216 1.521 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000080993954 384178893 /nfs/dbraw/zinc/17/88/93/384178893.db2.gz LACRAJXUNOXTLB-ONGXEEELSA-N 1 0 210.321 1.433 10 0 BDAERO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]C[C@H]1CCCO1 ZINC000071792716 384179701 /nfs/dbraw/zinc/17/97/01/384179701.db2.gz GKTMCVSDINGPBO-MROQNXINSA-N 1 0 207.317 1.967 10 0 BDAERO [NH3+][C@H]1CCCn2c(=O)c3ccsc3nc21 ZINC000072266500 384204149 /nfs/dbraw/zinc/20/41/49/384204149.db2.gz MOYHGZHERSRARH-ZETCQYMHSA-N 1 0 221.285 1.252 10 0 BDAERO CCC[C@H](C(=O)Nc1ccc(F)nc1)[NH+](C)C ZINC000092760359 384193503 /nfs/dbraw/zinc/19/35/03/384193503.db2.gz SUGFXKZUSUVFNG-SNVBAGLBSA-N 1 0 239.294 1.890 10 0 BDAERO C[NH+](C)CCc1cc2cc(O)ccc2[nH]1 ZINC000072187406 384197953 /nfs/dbraw/zinc/19/79/53/384197953.db2.gz QIIGJMZELNQQMB-UHFFFAOYSA-N 1 0 204.273 1.978 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000082277721 384220410 /nfs/dbraw/zinc/22/04/10/384220410.db2.gz QHQXIAABTYPMRF-SECBINFHSA-N 1 0 208.261 1.056 10 0 BDAERO CC[C@](C)(C[NH2+][C@@H]1CCC[C@@H](O)C1)OC ZINC000319433198 384248294 /nfs/dbraw/zinc/24/82/94/384248294.db2.gz KGOLAZVRPKKWFA-IJLUTSLNSA-N 1 0 215.337 1.695 10 0 BDAERO CC(C)OC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000173663357 384250713 /nfs/dbraw/zinc/25/07/13/384250713.db2.gz LUDPPMPKNOLBBN-JTQLQIEISA-N 1 0 231.361 1.765 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000042915820 384254336 /nfs/dbraw/zinc/25/43/36/384254336.db2.gz JPFGKUSWXVKIDE-CHWSQXEVSA-N 1 0 230.315 1.913 10 0 BDAERO Cc1c(C[NH2+][C@@H](C)Cn2ccnc2)cnn1C ZINC000093649967 384259288 /nfs/dbraw/zinc/25/92/88/384259288.db2.gz OGRAEAJQZMFMNZ-JTQLQIEISA-N 1 0 233.319 1.103 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1cc(Br)cs1 ZINC000043289785 384267016 /nfs/dbraw/zinc/26/70/16/384267016.db2.gz LSXYHZRCSZVUNF-FBCQKBJTSA-N 1 0 236.134 1.891 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000119395756 384266954 /nfs/dbraw/zinc/26/69/54/384266954.db2.gz NJPHYHFVWQZUQO-AWEZNQCLSA-N 1 0 249.358 1.365 10 0 BDAERO Cc1nc(F)ccc1C[NH2+][C@H]1CCO[C@H]1C ZINC000278871720 384267163 /nfs/dbraw/zinc/26/71/63/384267163.db2.gz YQZDMTXSJCKEGV-ONGXEEELSA-N 1 0 224.279 1.796 10 0 BDAERO C[C@@H]([NH3+])[C@@H](N1CCOCC1)C(C)(C)C ZINC000043291330 384267265 /nfs/dbraw/zinc/26/72/65/384267265.db2.gz HRPMEFYNTSLGGH-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO Cc1c(F)cccc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335433300 384272783 /nfs/dbraw/zinc/27/27/83/384272783.db2.gz HTRKXWJCMGMWMS-BXKDBHETSA-N 1 0 236.290 1.696 10 0 BDAERO [NH3+]C[C@H]1NCCc2cc(Br)ccc21 ZINC000097757604 384276729 /nfs/dbraw/zinc/27/67/29/384276729.db2.gz GZGHFWYCOLUXKN-SNVBAGLBSA-N 1 0 241.132 1.595 10 0 BDAERO CC1(NC(=O)[C@H]2C[NH2+]CCOC2)CCCCC1 ZINC000643647831 384308965 /nfs/dbraw/zinc/30/89/65/384308965.db2.gz ZMYNTAGFHSOPQN-NSHDSACASA-N 1 0 240.347 1.061 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000044136063 384317339 /nfs/dbraw/zinc/31/73/39/384317339.db2.gz YIXXFPABOISYEV-STQMWFEESA-N 1 0 249.310 1.561 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H](CC)CSC ZINC000163312875 384286686 /nfs/dbraw/zinc/28/66/86/384286686.db2.gz LKBNGAGSAFFTKI-BDAKNGLRSA-N 1 0 218.366 1.372 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCC1(O)CCC1 ZINC000335474850 384291975 /nfs/dbraw/zinc/29/19/75/384291975.db2.gz KPQCCOCEKYUKLN-WDEREUQCSA-N 1 0 213.321 1.137 10 0 BDAERO OC1(CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CCC1 ZINC000335477082 384295355 /nfs/dbraw/zinc/29/53/55/384295355.db2.gz VMIIYLLZQCEDCN-QWHCGFSZSA-N 1 0 239.359 1.935 10 0 BDAERO Clc1ccnc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000095070158 384336433 /nfs/dbraw/zinc/33/64/33/384336433.db2.gz PWDZHUSNFJLQKB-MRVPVSSYSA-N 1 0 227.695 1.651 10 0 BDAERO CN(c1nc2cccnc2[nH]1)C1CC[NH2+]CC1 ZINC000095070664 384336746 /nfs/dbraw/zinc/33/67/46/384336746.db2.gz GWJPMWWPCXUXHZ-UHFFFAOYSA-N 1 0 231.303 1.098 10 0 BDAERO Cc1cnc(N(C)[C@@H]2CC[NH2+]C2)nc1Cl ZINC000095070537 384337292 /nfs/dbraw/zinc/33/72/92/384337292.db2.gz HNXRAHUFGAZSEB-MRVPVSSYSA-N 1 0 226.711 1.237 10 0 BDAERO Clc1nccnc1CNC[C@H]1CCC[NH2+]C1 ZINC000095070374 384337484 /nfs/dbraw/zinc/33/74/84/384337484.db2.gz PSTYSAHGBKRRSS-VIFPVBQESA-N 1 0 240.738 1.219 10 0 BDAERO CN(Cc1ccc(Cl)nn1)C1CC[NH2+]CC1 ZINC000095070747 384338357 /nfs/dbraw/zinc/33/83/57/384338357.db2.gz NRMTWFKYEWDZQY-UHFFFAOYSA-N 1 0 240.738 1.314 10 0 BDAERO CN(Cc1ccc(Cl)nn1)[C@@H]1CCC[NH2+]C1 ZINC000095070743 384338867 /nfs/dbraw/zinc/33/88/67/384338867.db2.gz OCOHIXHUGBMWHF-SNVBAGLBSA-N 1 0 240.738 1.314 10 0 BDAERO CN(CC(=O)c1nccs1)C[C@@H]1CCC[NH2+]1 ZINC000095071002 384339390 /nfs/dbraw/zinc/33/93/90/384339390.db2.gz LOJUYJUUDLGRJN-VIFPVBQESA-N 1 0 239.344 1.010 10 0 BDAERO Cc1ccc(N(C)C[C@@H]2CCCC[NH2+]2)nn1 ZINC000095070770 384339438 /nfs/dbraw/zinc/33/94/38/384339438.db2.gz ZSLNCVIXFLQSPQ-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO CN(Cc1cncs1)C[C@H]1CC[NH2+]C1 ZINC000095071299 384340555 /nfs/dbraw/zinc/34/05/55/384340555.db2.gz DQVWQIWRUAJHLN-VIFPVBQESA-N 1 0 211.334 1.184 10 0 BDAERO CNc1nc2ccccc2nc1O[C@H]1CC[NH2+]C1 ZINC000095071400 384341213 /nfs/dbraw/zinc/34/12/13/384341213.db2.gz MZBZHUAXPCHPHA-VIFPVBQESA-N 1 0 244.298 1.412 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2ccnc(SC)n2)C1 ZINC000095071427 384341648 /nfs/dbraw/zinc/34/16/48/384341648.db2.gz RNSPUADXORPWIF-SECBINFHSA-N 1 0 238.360 1.387 10 0 BDAERO CSc1nccc(SC[C@H]2CC[NH2+]C2)n1 ZINC000095071825 384341859 /nfs/dbraw/zinc/34/18/59/384341859.db2.gz VVOPHIMOLVJVFN-QMMMGPOBSA-N 1 0 241.385 1.900 10 0 BDAERO [NH3+]C[C@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000044527810 384342173 /nfs/dbraw/zinc/34/21/73/384342173.db2.gz PAIBBRIUDWCNKT-NXEZZACHSA-N 1 0 200.351 1.163 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)c1ccc[nH]1 ZINC000095072253 384343266 /nfs/dbraw/zinc/34/32/66/384343266.db2.gz ACAJSXNPYXYJEC-NXEZZACHSA-N 1 0 221.304 1.057 10 0 BDAERO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@H]2C)n1 ZINC000134244915 384344140 /nfs/dbraw/zinc/34/41/40/384344140.db2.gz YWQBIGSKIRHVPG-UWVGGRQHSA-N 1 0 222.288 1.363 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](N=c2[nH]c3ccccc3o2)C1 ZINC000335583383 384344995 /nfs/dbraw/zinc/34/49/95/384344995.db2.gz WXARFDGSSKFHQN-NXEZZACHSA-N 1 0 231.299 1.789 10 0 BDAERO O=C(CNC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000095072770 384345065 /nfs/dbraw/zinc/34/50/65/384345065.db2.gz OEWHIMSGAZGHRJ-SNVBAGLBSA-N 1 0 222.288 1.194 10 0 BDAERO O=[S@](c1nc2ccccc2[nH]1)[C@H]1CC[NH2+]C1 ZINC000095073019 384345165 /nfs/dbraw/zinc/34/51/65/384345165.db2.gz VGKHKDFEJZQGLE-ZKANADHPSA-N 1 0 235.312 1.032 10 0 BDAERO [NH3+]Cc1[nH]nc2c1cccc2Br ZINC000075884145 384345253 /nfs/dbraw/zinc/34/52/53/384345253.db2.gz LOANVVJUYDHEBW-UHFFFAOYSA-N 1 0 226.077 1.784 10 0 BDAERO O=[S@](c1cnc2ccccc2n1)[C@H]1CC[NH2+]C1 ZINC000095073011 384345349 /nfs/dbraw/zinc/34/53/49/384345349.db2.gz ZVKQGLRLHYVDTR-HUTHGQBESA-N 1 0 247.323 1.099 10 0 BDAERO O=C(COCC[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095072930 384345454 /nfs/dbraw/zinc/34/54/54/384345454.db2.gz FSSDFHRGUDAXLF-GFCCVEGCSA-N 1 0 248.326 1.671 10 0 BDAERO O=C(COC[C@H]1CC[NH2+]C1)c1cccs1 ZINC000095072898 384345660 /nfs/dbraw/zinc/34/56/60/384345660.db2.gz AIOBOTFVJSJUGZ-VIFPVBQESA-N 1 0 225.313 1.557 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc(F)cn2)C1 ZINC000335581986 384346374 /nfs/dbraw/zinc/34/63/74/384346374.db2.gz PFZVTKAJERXJAP-PSASIEDQSA-N 1 0 209.268 1.760 10 0 BDAERO O=[S@@](Cc1cncs1)C[C@H]1CCCC[NH2+]1 ZINC000095073523 384347183 /nfs/dbraw/zinc/34/71/83/384347183.db2.gz WACMDBATVQBJQM-PSLIRLAXSA-N 1 0 244.385 1.534 10 0 BDAERO O=[S@@](C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095073614 384347687 /nfs/dbraw/zinc/34/76/87/384347687.db2.gz HWERYQSXJZJHBZ-RMLUDKJBSA-N 1 0 230.358 1.250 10 0 BDAERO O=[S@@](Cc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000095073439 384347858 /nfs/dbraw/zinc/34/78/58/384347858.db2.gz RDKISHKNSBAKSH-IAQYHMDHSA-N 1 0 224.329 1.082 10 0 BDAERO CNS(=O)(=O)[C@@H](C)c1nccn1C(C)C ZINC000095075993 384351033 /nfs/dbraw/zinc/35/10/33/384351033.db2.gz OYEUBDOLIYFEML-QMMMGPOBSA-N 1 0 231.321 1.074 10 0 BDAERO [NH3+][C@@H](CCO)c1nccc2ccccc21 ZINC000095077218 384352078 /nfs/dbraw/zinc/35/20/78/384352078.db2.gz OTMYNXVIGDJIGB-NSHDSACASA-N 1 0 202.257 1.617 10 0 BDAERO CC(=O)N1CCC2(CC[N@@H+](C3CC3)C2)CC1 ZINC000095082840 384361556 /nfs/dbraw/zinc/36/15/56/384361556.db2.gz OCGRDSZFHCJLEZ-UHFFFAOYSA-N 1 0 222.332 1.483 10 0 BDAERO Cc1cnc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)s1 ZINC000335597175 384362173 /nfs/dbraw/zinc/36/21/73/384362173.db2.gz NLKDZYZFAYWWQP-DTWKUNHWSA-N 1 0 239.344 1.778 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]Cc1sccc1N ZINC000134534732 384364092 /nfs/dbraw/zinc/36/40/92/384364092.db2.gz RZKITFCGNYLZGG-VXNVDRBHSA-N 1 0 212.318 1.597 10 0 BDAERO Cc1ccnc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000335598863 384364145 /nfs/dbraw/zinc/36/41/45/384364145.db2.gz YJMHFGGLRVAIIC-MNOVXSKESA-N 1 0 233.315 1.717 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)ccn1 ZINC000335598868 384364487 /nfs/dbraw/zinc/36/44/87/384364487.db2.gz YLFJGZAENGUQNJ-PWSUYJOCSA-N 1 0 233.315 1.139 10 0 BDAERO Cc1csc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000335596272 384365179 /nfs/dbraw/zinc/36/51/79/384365179.db2.gz HJPNOGDWYICGCG-DTWKUNHWSA-N 1 0 239.344 1.778 10 0 BDAERO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068333 384329887 /nfs/dbraw/zinc/32/98/87/384329887.db2.gz MPWIZPYCHBDIQE-MNOVXSKESA-N 1 0 207.321 1.807 10 0 BDAERO Cc1cnc(N[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000095069312 384331837 /nfs/dbraw/zinc/33/18/37/384331837.db2.gz SBNOCJPVMMCJIP-MRVPVSSYSA-N 1 0 226.711 1.602 10 0 BDAERO Cc1ccc([S@](=O)[C@H]2CCC[NH2+]C2)nc1 ZINC000095069049 384332457 /nfs/dbraw/zinc/33/24/57/384332457.db2.gz MTKNDDTUDNCKPO-BONVTDFDSA-N 1 0 224.329 1.250 10 0 BDAERO C[C@@H]1C[NH2+]CCN1c1nc2ccccc2nc1N ZINC000095069585 384333862 /nfs/dbraw/zinc/33/38/62/384333862.db2.gz SFRJBJAHQOVDPM-SECBINFHSA-N 1 0 243.314 1.010 10 0 BDAERO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)o1 ZINC000084226310 384379855 /nfs/dbraw/zinc/37/98/55/384379855.db2.gz QWDYUXIIWHPNIK-JQWIXIFHSA-N 1 0 209.289 1.839 10 0 BDAERO Cc1cnccc1NC(=O)N[C@H]1C[C@H]1C ZINC000120978349 384390954 /nfs/dbraw/zinc/39/09/54/384390954.db2.gz KYKABYZFIKGUMM-XCBNKYQSSA-N 1 0 205.261 1.920 10 0 BDAERO CCc1cc(N)c(Br)c[nH+]1 ZINC000096134434 384437832 /nfs/dbraw/zinc/43/78/32/384437832.db2.gz ZOLWVEIUXPYPID-UHFFFAOYSA-N 1 0 201.067 1.989 10 0 BDAERO C[C@@H]([NH3+])[C@@H](N)c1ccc(Br)cc1 ZINC000047845232 384469050 /nfs/dbraw/zinc/46/90/50/384469050.db2.gz KPXSLYDRCRQFRW-HZGVNTEJSA-N 1 0 229.121 1.796 10 0 BDAERO CCCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000149024967 384473303 /nfs/dbraw/zinc/47/33/03/384473303.db2.gz LGBCWFUPKVWYAF-UHFFFAOYSA-N 1 0 224.348 1.873 10 0 BDAERO c1cc2c(o1)CCC[C@H]2[NH2+]CCn1cncn1 ZINC000278908296 384459008 /nfs/dbraw/zinc/45/90/08/384459008.db2.gz ZYMQAMFNBAAQQL-LLVKDONJSA-N 1 0 232.287 1.538 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CCCCCC1 ZINC000335823178 384501289 /nfs/dbraw/zinc/50/12/89/384501289.db2.gz OOEUUUHSLBKGOM-JQWIXIFHSA-N 1 0 224.348 1.966 10 0 BDAERO O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000403081874 384494257 /nfs/dbraw/zinc/49/42/57/384494257.db2.gz BHOLIAHRCDOADX-NDBYEHHHSA-N 1 0 236.359 1.538 10 0 BDAERO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000123119416 384536088 /nfs/dbraw/zinc/53/60/88/384536088.db2.gz PBXXVCOJZORQLK-TZMCWYRMSA-N 1 0 246.354 1.953 10 0 BDAERO CC(C)=CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000300746850 384524377 /nfs/dbraw/zinc/52/43/77/384524377.db2.gz YDEONKLXVUHUAY-NWDGAFQWSA-N 1 0 222.332 1.648 10 0 BDAERO CN(CCOCC[NH3+])c1nc2ccccc2o1 ZINC000305950808 384559594 /nfs/dbraw/zinc/55/95/94/384559594.db2.gz CXBNGFCMQZGYHQ-UHFFFAOYSA-N 1 0 235.287 1.239 10 0 BDAERO Cc1cnc(C)c(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000184112117 384570043 /nfs/dbraw/zinc/57/00/43/384570043.db2.gz JOTQIQHNNONRDL-GFCCVEGCSA-N 1 0 232.331 1.378 10 0 BDAERO Cc1ccoc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000271202323 384571641 /nfs/dbraw/zinc/57/16/41/384571641.db2.gz UQWPQPFJUHOIGJ-LBPRGKRZSA-N 1 0 220.316 1.868 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NCC2CC[NH+](C)CC2)O1 ZINC000151453534 384572005 /nfs/dbraw/zinc/57/20/05/384572005.db2.gz HOAONLYJJXHQMJ-ZYHUDNBSSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1ccc(CN[C@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000334818859 384580301 /nfs/dbraw/zinc/58/03/01/384580301.db2.gz GZTJSDBQZALGMO-YPMHNXCESA-N 1 0 219.332 1.620 10 0 BDAERO Cc1ncccc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000334746468 384566021 /nfs/dbraw/zinc/56/60/21/384566021.db2.gz QHBBGGYZOKYNDO-ZWNOBZJWSA-N 1 0 220.316 1.593 10 0 BDAERO CCSCC[N@@H+]1CC[C@H](N(C)C)C1 ZINC000308276469 384566593 /nfs/dbraw/zinc/56/65/93/384566593.db2.gz VYGVAFNFVGJABJ-JTQLQIEISA-N 1 0 202.367 1.375 10 0 BDAERO CCOc1ccc(C(=O)CN2CC[C@@H]([NH3+])C2)cc1 ZINC000050242442 384609478 /nfs/dbraw/zinc/60/94/78/384609478.db2.gz QUWHQIVMZACAPE-GFCCVEGCSA-N 1 0 248.326 1.301 10 0 BDAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]2C)C1 ZINC000176346030 384616509 /nfs/dbraw/zinc/61/65/09/384616509.db2.gz UCAYMKVRVLFOGU-QJPTWQEYSA-N 1 0 239.363 1.521 10 0 BDAERO CCc1ncc(C[NH2+]CC2CC(O)C2)s1 ZINC000084446112 384618847 /nfs/dbraw/zinc/61/88/47/384618847.db2.gz SEOPEZYEDXUIMQ-UHFFFAOYSA-N 1 0 226.345 1.566 10 0 BDAERO COC[C@@H](C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000103430583 384626922 /nfs/dbraw/zinc/62/69/22/384626922.db2.gz ZVNTVNQCVZETBF-GFCCVEGCSA-N 1 0 242.363 1.117 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000309823340 384639606 /nfs/dbraw/zinc/63/96/06/384639606.db2.gz WVCKWFKUTASCGD-UTUOFQBUSA-N 1 0 222.332 1.552 10 0 BDAERO CC(C)(O)C[NH2+]CC(C)(C)c1cccnc1 ZINC000258718421 384645301 /nfs/dbraw/zinc/64/53/01/384645301.db2.gz DGGRTCWWQODKIP-UHFFFAOYSA-N 1 0 222.332 1.720 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000082282168 384659897 /nfs/dbraw/zinc/65/98/97/384659897.db2.gz WDJRZGCZLWKTPU-GFCCVEGCSA-N 1 0 233.315 1.854 10 0 BDAERO CCc1csc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000306751199 384677021 /nfs/dbraw/zinc/67/70/21/384677021.db2.gz NHMCMUMYHFINQJ-SFYZADRCSA-N 1 0 211.334 1.631 10 0 BDAERO CC(C)COCCCN[C@@H]1CC[NH2+]C1 ZINC000086725512 384679381 /nfs/dbraw/zinc/67/93/81/384679381.db2.gz WFDMONOUHMHYEU-LLVKDONJSA-N 1 0 200.326 1.001 10 0 BDAERO C[Si](C)(C)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000309868373 384681722 /nfs/dbraw/zinc/68/17/22/384681722.db2.gz PNSYPJZBDCAODP-SNVBAGLBSA-N 1 0 240.423 1.655 10 0 BDAERO CSC1(C[NH2+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000309878747 384687071 /nfs/dbraw/zinc/68/70/71/384687071.db2.gz UMXLGANSERYPHK-SECBINFHSA-N 1 0 237.372 1.752 10 0 BDAERO COc1c(C[NH2+]CCCSC)c(C)nn1C ZINC000124925202 384687234 /nfs/dbraw/zinc/68/72/34/384687234.db2.gz BQAGLZKIDAGRIP-UHFFFAOYSA-N 1 0 243.376 1.580 10 0 BDAERO CSC1(C[NH2+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000309878748 384688413 /nfs/dbraw/zinc/68/84/13/384688413.db2.gz UMXLGANSERYPHK-VIFPVBQESA-N 1 0 237.372 1.752 10 0 BDAERO c1ccc2oc(O[C@@H]3CC[NH2+]C3)nc2c1 ZINC000051868619 384698126 /nfs/dbraw/zinc/69/81/26/384698126.db2.gz SENIRQLPHJCRIB-MRVPVSSYSA-N 1 0 204.229 1.569 10 0 BDAERO c1ccc(OCC[C@H]2CCC[NH2+]C2)nc1 ZINC000051918509 384700059 /nfs/dbraw/zinc/70/00/59/384700059.db2.gz ASKKUTLMLHROAI-LLVKDONJSA-N 1 0 206.289 1.850 10 0 BDAERO CCN(Cc1c(C[NH3+])cnn1C)c1ccccc1 ZINC000408716689 384704473 /nfs/dbraw/zinc/70/44/73/384704473.db2.gz PTFKQVYSCZWYCI-UHFFFAOYSA-N 1 0 244.342 1.905 10 0 BDAERO Cc1cnc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)o1 ZINC000173653763 384707816 /nfs/dbraw/zinc/70/78/16/384707816.db2.gz ZWPDMNOQSYQTKS-LLVKDONJSA-N 1 0 246.314 1.706 10 0 BDAERO [NH3+]Cc1ccncc1OCCC(F)(F)F ZINC000163042673 384727732 /nfs/dbraw/zinc/72/77/32/384727732.db2.gz XUUKJMIMIXCIPK-UHFFFAOYSA-N 1 0 220.194 1.872 10 0 BDAERO CCN(CC)CC[NH2+]CC1CCOCC1 ZINC000052171865 384722136 /nfs/dbraw/zinc/72/21/36/384722136.db2.gz KHEMYCKMNSDXRG-UHFFFAOYSA-N 1 0 214.353 1.344 10 0 BDAERO CCN(CC)C(=O)O[C@H]1CCC[NH2+]C1 ZINC000086229710 384773391 /nfs/dbraw/zinc/77/33/91/384773391.db2.gz IFYMQAFTYFNVMX-VIFPVBQESA-N 1 0 200.282 1.217 10 0 BDAERO C[C@@H](C[NH3+])CNc1nnc(C(F)F)s1 ZINC000308510548 384774093 /nfs/dbraw/zinc/77/40/93/384774093.db2.gz RUBJATUWTBVFNI-BYPYZUCNSA-N 1 0 222.264 1.482 10 0 BDAERO [NH3+][C@@H](CO)Cc1cc(Br)cs1 ZINC000044463758 384732787 /nfs/dbraw/zinc/73/27/87/384732787.db2.gz XKFWBKLECVCMLG-ZCFIWIBFSA-N 1 0 236.134 1.373 10 0 BDAERO CC(C)OCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308732 384734041 /nfs/dbraw/zinc/73/40/41/384734041.db2.gz KGPKSUBZRCFWJA-LBPRGKRZSA-N 1 0 242.363 1.307 10 0 BDAERO Cc1cc(N2C[C@H](C)C[C@@H](O)C2)cc[nH+]1 ZINC000334811968 384735352 /nfs/dbraw/zinc/73/53/52/384735352.db2.gz DWKSAEXZAZXRLR-BXKDBHETSA-N 1 0 206.289 1.597 10 0 BDAERO OC1(CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)CCC1 ZINC000335477080 384742560 /nfs/dbraw/zinc/74/25/60/384742560.db2.gz VMIIYLLZQCEDCN-OLZOCXBDSA-N 1 0 239.359 1.935 10 0 BDAERO CN(C)[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000158440667 384742830 /nfs/dbraw/zinc/74/28/30/384742830.db2.gz XABSVIUTSOLKCC-KBPBESRZSA-N 1 0 240.391 1.564 10 0 BDAERO Cc1ccc(N[C@@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000334848768 384744238 /nfs/dbraw/zinc/74/42/38/384744238.db2.gz KESURLCBZSTPTD-QWRGUYRKSA-N 1 0 205.305 1.800 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CCO1 ZINC000300395809 384750565 /nfs/dbraw/zinc/75/05/65/384750565.db2.gz KCZIJQWLNRXMCR-LPWJVIDDSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@H]([NH3+])c1cccc(Br)n1 ZINC000083283675 384759765 /nfs/dbraw/zinc/75/97/65/384759765.db2.gz NVMOBBCPDRYXDX-YFKPBYRVSA-N 1 0 201.067 1.864 10 0 BDAERO Cc1cnc(N2CCC(CC[NH3+])CC2)nc1 ZINC000063049359 384759902 /nfs/dbraw/zinc/75/99/02/384759902.db2.gz JABWWAZHHHYPBN-UHFFFAOYSA-N 1 0 220.320 1.350 10 0 BDAERO Cc1cnn([C@H]2CCC[N@H+](CC(C)(C)O)C2)c1 ZINC000105904296 384815734 /nfs/dbraw/zinc/81/57/34/384815734.db2.gz GVOQSKYCTDAGRE-LBPRGKRZSA-N 1 0 237.347 1.599 10 0 BDAERO [NH3+][C@@H](CO)c1ccc(O)c(Br)c1 ZINC000072198713 384816370 /nfs/dbraw/zinc/81/63/70/384816370.db2.gz UUOKNTITOGGBKD-ZETCQYMHSA-N 1 0 232.077 1.147 10 0 BDAERO [NH3+][C@@H]1CCN(Cc2cccc(Cl)c2)C1=O ZINC000053157820 384818054 /nfs/dbraw/zinc/81/80/54/384818054.db2.gz PLGPCDJXBVYACO-SNVBAGLBSA-N 1 0 224.691 1.400 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000309768871 384819526 /nfs/dbraw/zinc/81/95/26/384819526.db2.gz KCAXVDNCYJSTFC-SDDRHHMPSA-N 1 0 225.332 1.713 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC(C)C)C1 ZINC000308572948 384822403 /nfs/dbraw/zinc/82/24/03/384822403.db2.gz LHNMVFDKKCIUMD-QWRGUYRKSA-N 1 0 201.310 1.114 10 0 BDAERO C[C@H](CCC1CC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000398179774 384829279 /nfs/dbraw/zinc/82/92/79/384829279.db2.gz SDBPMFAHKHDVHY-CKYFFXLPSA-N 1 0 224.348 1.537 10 0 BDAERO CC[C@H]1C[N@H+](CCC(C)C)CCN1C[C@@H](C)O ZINC000105826929 384803058 /nfs/dbraw/zinc/80/30/58/384803058.db2.gz XQVBEKZQNIRERJ-KGLIPLIRSA-N 1 0 242.407 1.810 10 0 BDAERO C[C@@H](N=c1[nH]c2ccccc2[nH]1)[C@H](C)[NH3+] ZINC000336097134 384887425 /nfs/dbraw/zinc/88/74/25/384887425.db2.gz SOXJPYCZCCUBAS-JGVFFNPUSA-N 1 0 204.277 1.132 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403699305 384852767 /nfs/dbraw/zinc/85/27/67/384852767.db2.gz BYVLZLKBUPQLFE-IGQOVBAYSA-N 1 0 241.375 1.942 10 0 BDAERO CC(C)([NH3+])c1noc(C(F)(F)Cl)n1 ZINC000156777996 384957399 /nfs/dbraw/zinc/95/73/99/384957399.db2.gz LSCOJDFJSMTSNJ-UHFFFAOYSA-N 1 0 211.599 1.552 10 0 BDAERO Cl/C=C/CN1CCO[C@@H](Cn2cccn2)C1 ZINC000105921000 384891847 /nfs/dbraw/zinc/89/18/47/384891847.db2.gz ZPEKTPDQEKFKEG-JHSHHRBUSA-N 1 0 241.722 1.336 10 0 BDAERO Cc1cnn(C[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000105921327 384893645 /nfs/dbraw/zinc/89/36/45/384893645.db2.gz UJNHSBANMLCSFZ-GFCCVEGCSA-N 1 0 223.320 1.301 10 0 BDAERO CC(C)(C)CC[NH2+][C@@H]1CCc2ncnn2C1 ZINC000112697875 384904253 /nfs/dbraw/zinc/90/42/53/384904253.db2.gz XWCIYRQSHYZVCT-SNVBAGLBSA-N 1 0 222.336 1.619 10 0 BDAERO [NH3+]Cc1ccc(Br)c2cncnc12 ZINC000095831158 384916065 /nfs/dbraw/zinc/91/60/65/384916065.db2.gz BFTHTMSIVMKLMX-UHFFFAOYSA-N 1 0 238.088 1.851 10 0 BDAERO Cn1cc(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 ZINC000128064879 384928491 /nfs/dbraw/zinc/92/84/91/384928491.db2.gz KVQACYNWSHNWRA-AVGNSLFASA-N 1 0 249.358 1.366 10 0 BDAERO C[C@H](C(=O)N[C@H]1COc2ccccc21)C1C[NH2+]C1 ZINC000164569336 384935271 /nfs/dbraw/zinc/93/52/71/384935271.db2.gz YQRUYSPPKNBDPM-CABZTGNLSA-N 1 0 246.310 1.092 10 0 BDAERO C[C@@H]1C[C@H]1NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106916736 384941569 /nfs/dbraw/zinc/94/15/69/384941569.db2.gz NLIPTDQHDGAQHI-MRVWCRGKSA-N 1 0 246.354 1.684 10 0 BDAERO C[NH+](C)[C@@H]1CC[C@H](Nc2ncccn2)C1 ZINC000301917380 384945801 /nfs/dbraw/zinc/94/58/01/384945801.db2.gz HOOMWHIVENFPCJ-VHSXEESVSA-N 1 0 206.293 1.371 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(C)C ZINC000085789975 384968190 /nfs/dbraw/zinc/96/81/90/384968190.db2.gz NRGKECVPMPDBCE-RYUDHWBXSA-N 1 0 214.353 1.341 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cnccn1 ZINC000085969836 384977032 /nfs/dbraw/zinc/97/70/32/384977032.db2.gz GSUMYVMMCKQVQL-GVXVVHGQSA-N 1 0 235.331 1.678 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccns1 ZINC000404428006 384994117 /nfs/dbraw/zinc/99/41/17/384994117.db2.gz FMTZEGXCUQTMDP-ONGXEEELSA-N 1 0 226.345 1.784 10 0 BDAERO c1cc(C[NH2+]CC[C@@H]2CCCO2)sn1 ZINC000404429079 384996037 /nfs/dbraw/zinc/99/60/37/384996037.db2.gz KMXNEPVTUJPFQA-VIFPVBQESA-N 1 0 212.318 1.802 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccns1 ZINC000404460951 385010878 /nfs/dbraw/zinc/01/08/78/385010878.db2.gz TUVAFPQCHRMLIX-KOLCDFICSA-N 1 0 226.345 1.784 10 0 BDAERO CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1C[NH2+]C2 ZINC000105641719 385051735 /nfs/dbraw/zinc/05/17/35/385051735.db2.gz IOJANHDPMBVRLJ-JOYOIKCWSA-N 1 0 226.320 1.653 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC000177646479 385074548 /nfs/dbraw/zinc/07/45/48/385074548.db2.gz CLDBWXCCXCWOPC-GFCCVEGCSA-N 1 0 236.315 1.375 10 0 BDAERO CC[C@H](CSC)[NH2+]Cc1cnn(C)c1C ZINC000162181377 385033182 /nfs/dbraw/zinc/03/31/82/385033182.db2.gz BLGBDQVMFLJHDO-LLVKDONJSA-N 1 0 227.377 1.960 10 0 BDAERO CN(CC1CC[NH2+]CC1)c1ccccn1 ZINC000086703938 385041148 /nfs/dbraw/zinc/04/11/48/385041148.db2.gz XEXWGIMHPKSWOG-UHFFFAOYSA-N 1 0 205.305 1.517 10 0 BDAERO Cc1c[nH+]ccc1N1C[C@H](C)C[C@@H](O)C1 ZINC000336275482 385111417 /nfs/dbraw/zinc/11/14/17/385111417.db2.gz RSKDPNUCEVLOFP-MWLCHTKSSA-N 1 0 206.289 1.597 10 0 BDAERO C[C@]1(O)CCN2CC[NH2+]Cc3cccc1c32 ZINC000207772580 385119499 /nfs/dbraw/zinc/11/94/99/385119499.db2.gz RLJXLVOZTUAUGB-ZDUSSCGKSA-N 1 0 218.300 1.207 10 0 BDAERO CC[C@@H]([NH3+])c1noc(-c2cscn2)n1 ZINC000062361914 385139200 /nfs/dbraw/zinc/13/92/00/385139200.db2.gz GARMOANOUGQXSC-RXMQYKEDSA-N 1 0 210.262 1.603 10 0 BDAERO Cn1cc([C@H]2CCCN2Cc2cncn2C)cn1 ZINC000177047053 385171420 /nfs/dbraw/zinc/17/14/20/385171420.db2.gz IMXBPMMSFFKYHE-CYBMUJFWSA-N 1 0 245.330 1.491 10 0 BDAERO Cc1noc([C@@H]2CC[N@H+](CCC(C)(C)O)C2)n1 ZINC000408047948 385178230 /nfs/dbraw/zinc/17/82/30/385178230.db2.gz UGFJVLVKTNGCRJ-SNVBAGLBSA-N 1 0 239.319 1.328 10 0 BDAERO c1nc2c([nH]1)[C@@H]([C@@H]1CCSC1)[NH2+]CC2 ZINC000259321059 385212359 /nfs/dbraw/zinc/21/23/59/385212359.db2.gz JSISDOXBRLRWNR-VXNVDRBHSA-N 1 0 209.318 1.350 10 0 BDAERO Cc1ccccc1CCNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164657928 385222916 /nfs/dbraw/zinc/22/29/16/385222916.db2.gz RCMNTRYECOCVLJ-GFCCVEGCSA-N 1 0 246.354 1.509 10 0 BDAERO CCN1CCC[N@H+](C[C@@](C)(O)C(C)C)CC1 ZINC000307772199 385252499 /nfs/dbraw/zinc/25/24/99/385252499.db2.gz JFXDUFWDKBDXII-CYBMUJFWSA-N 1 0 228.380 1.421 10 0 BDAERO CSc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000050224103 385312331 /nfs/dbraw/zinc/31/23/31/385312331.db2.gz MBSTXVOTFGBHDI-UHFFFAOYSA-N 1 0 220.301 1.448 10 0 BDAERO [NH3+]Cc1cn(-c2ccc(F)cc2F)nn1 ZINC000050224088 385312982 /nfs/dbraw/zinc/31/29/82/385312982.db2.gz OKADBICOMYBXJP-UHFFFAOYSA-N 1 0 210.187 1.004 10 0 BDAERO c1cnc2ccc3c(c2c1)C[NH2+]CCO3 ZINC000096034720 385314936 /nfs/dbraw/zinc/31/49/36/385314936.db2.gz RLZSGBAOHKVMQV-UHFFFAOYSA-N 1 0 200.241 1.717 10 0 BDAERO [NH3+]Cc1ccc(-c2cncnc2)cc1F ZINC000052886607 385318490 /nfs/dbraw/zinc/31/84/90/385318490.db2.gz DPKFPTZUTDPVOI-UHFFFAOYSA-N 1 0 203.220 1.741 10 0 BDAERO CCCOc1ccccc1N1CC[NH2+]CC1 ZINC000034246786 385276900 /nfs/dbraw/zinc/27/69/00/385276900.db2.gz VDJQSKXYNXNAMO-UHFFFAOYSA-N 1 0 220.316 1.885 10 0 BDAERO Cc1ccsc1[C@@H](C)[NH2+]CCn1cncn1 ZINC000167008521 385293419 /nfs/dbraw/zinc/29/34/19/385293419.db2.gz ZZJNAFUQUJHRNM-SNVBAGLBSA-N 1 0 236.344 1.999 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]CCn2cncn2)o1 ZINC000167016167 385293658 /nfs/dbraw/zinc/29/36/58/385293658.db2.gz FQLNVQAQFSKJIS-JTQLQIEISA-N 1 0 220.276 1.530 10 0 BDAERO COC[C@]1(c2nc(C(C)(C)C)no2)CCC[NH2+]1 ZINC000643936061 385295957 /nfs/dbraw/zinc/29/59/57/385295957.db2.gz WGYFMYQATUJLAH-LBPRGKRZSA-N 1 0 239.319 1.592 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000308945376 385300921 /nfs/dbraw/zinc/30/09/21/385300921.db2.gz RZMXXBNVZKRKBY-VHSXEESVSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@H]1CCCCO1 ZINC000308978589 385330616 /nfs/dbraw/zinc/33/06/16/385330616.db2.gz HIPQGSDGAWQPRK-IRCOFANPSA-N 1 0 213.321 1.711 10 0 BDAERO C([NH2+][C@@H]1CCOC1)[C@H]1CC12CCOCC2 ZINC000308979288 385332308 /nfs/dbraw/zinc/33/23/08/385332308.db2.gz HOHVKEARTFCPFA-GHMZBOCLSA-N 1 0 211.305 1.182 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1Cl ZINC000336407455 385356021 /nfs/dbraw/zinc/35/60/21/385356021.db2.gz DANKYVAPKNJVKB-GZMMTYOYSA-N 1 0 238.718 1.879 10 0 BDAERO COC[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)C1CC1 ZINC000178364969 385361687 /nfs/dbraw/zinc/36/16/87/385361687.db2.gz ZQOYJLYGGORWIC-KKUMJFAQSA-N 1 0 247.338 1.659 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644017492 385382905 /nfs/dbraw/zinc/38/29/05/385382905.db2.gz UKUUQBAPIORICC-DTWKUNHWSA-N 1 0 234.290 1.392 10 0 BDAERO CC[C@H]([NH2+]CC[C@@H](O)COC)C(C)(C)C ZINC000309164957 385445040 /nfs/dbraw/zinc/44/50/40/385445040.db2.gz IQEQMGZCWMLVPZ-MNOVXSKESA-N 1 0 217.353 1.798 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000170868055 385450793 /nfs/dbraw/zinc/45/07/93/385450793.db2.gz KXEYZGUUHTVFLZ-JTQLQIEISA-N 1 0 249.314 1.328 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)c2ccccc2)C1 ZINC000194252290 385427527 /nfs/dbraw/zinc/42/75/27/385427527.db2.gz BFWQUCMSHNKDMC-LBPRGKRZSA-N 1 0 246.310 1.032 10 0 BDAERO Cc1ccc(Br)nc1C[NH3+] ZINC000156746973 385466796 /nfs/dbraw/zinc/46/67/96/385466796.db2.gz JIDOHVYOBYAYBZ-UHFFFAOYSA-N 1 0 201.067 1.611 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccncc1Cl ZINC000309201264 385476836 /nfs/dbraw/zinc/47/68/36/385476836.db2.gz LJRGFPIZDHHHHJ-GMSGAONNSA-N 1 0 239.706 1.297 10 0 BDAERO COC(=O)[C@H]1CC[NH2+][C@H](CC(C)(C)C)C1 ZINC000259484519 385478132 /nfs/dbraw/zinc/47/81/32/385478132.db2.gz CFNRMWHYONWUOV-UWVGGRQHSA-N 1 0 213.321 1.964 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+][C@H](CC(C)(C)C)C1 ZINC000259484521 385479094 /nfs/dbraw/zinc/47/90/94/385479094.db2.gz CFNRMWHYONWUOV-ZJUUUORDSA-N 1 0 213.321 1.964 10 0 BDAERO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)c(C)s1 ZINC000644110372 385485901 /nfs/dbraw/zinc/48/59/01/385485901.db2.gz IFQDNJKSNHVJAC-JTQLQIEISA-N 1 0 238.356 1.704 10 0 BDAERO Cc1cncc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282043236 385490962 /nfs/dbraw/zinc/49/09/62/385490962.db2.gz ARQKWRPBBWSOTO-JQWIXIFHSA-N 1 0 233.315 1.147 10 0 BDAERO OC[C@@]1(c2ccc(C(F)(F)F)cc2)CC[NH2+]C1 ZINC000257922675 385517355 /nfs/dbraw/zinc/51/73/55/385517355.db2.gz JQGWPWLRMBCNJP-LLVKDONJSA-N 1 0 245.244 1.929 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1F ZINC000110976659 385498900 /nfs/dbraw/zinc/49/89/00/385498900.db2.gz XGPFVVUGVHBJKF-GFCCVEGCSA-N 1 0 236.290 1.502 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1cc(F)ccc1F ZINC000036779248 385530671 /nfs/dbraw/zinc/53/06/71/385530671.db2.gz LVMHXWFWGUBBTP-UWVGGRQHSA-N 1 0 201.216 1.736 10 0 BDAERO c1ncn(CC[NH2+]CCC2CCCCC2)n1 ZINC000309338138 385539001 /nfs/dbraw/zinc/53/90/01/385539001.db2.gz UTVQIKBDXCNNCA-UHFFFAOYSA-N 1 0 222.336 1.838 10 0 BDAERO c1cnc2cc([C@@H]3C[NH2+]CCO3)ccc2c1 ZINC000257999705 385518728 /nfs/dbraw/zinc/51/87/28/385518728.db2.gz HBMUQAYXTCPAHN-ZDUSSCGKSA-N 1 0 214.268 1.896 10 0 BDAERO c1cc2ccncc2c([C@@H]2C[NH2+]CCO2)c1 ZINC000258005629 385520723 /nfs/dbraw/zinc/52/07/23/385520723.db2.gz HSOJDDSUGNEAEQ-ZDUSSCGKSA-N 1 0 214.268 1.896 10 0 BDAERO CCn1cc(Br)cc(C[NH3+])c1=O ZINC000257977590 385522016 /nfs/dbraw/zinc/52/20/16/385522016.db2.gz JZNRSIUBMABHIZ-UHFFFAOYSA-N 1 0 231.093 1.089 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)c1ccc(OC)cc1 ZINC000054076856 385594604 /nfs/dbraw/zinc/59/46/04/385594604.db2.gz BMONAQBVGOLQNP-SECBINFHSA-N 1 0 222.288 1.266 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cnc(C)s1 ZINC000054075265 385595241 /nfs/dbraw/zinc/59/52/41/385595241.db2.gz GQTALIVLPOVAJW-SSDOTTSWSA-N 1 0 227.333 1.018 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000336675417 385595668 /nfs/dbraw/zinc/59/56/68/385595668.db2.gz BAOGHEVUDUICQI-RHYQMDGZSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]([NH2+]CC(=O)N(C)C)C1C(C)(C)C1(C)C ZINC000309469562 385599122 /nfs/dbraw/zinc/59/91/22/385599122.db2.gz QTEWDHKPXBIUPE-SECBINFHSA-N 1 0 226.364 1.735 10 0 BDAERO CCCC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000309476971 385603170 /nfs/dbraw/zinc/60/31/70/385603170.db2.gz SCRMHRJGJFUOMW-ZYHUDNBSSA-N 1 0 210.321 1.516 10 0 BDAERO Cc1csc(NC(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000054305690 385615909 /nfs/dbraw/zinc/61/59/09/385615909.db2.gz LHOFEWXONVBPPW-SECBINFHSA-N 1 0 239.344 1.780 10 0 BDAERO CSCC(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000309492397 385622605 /nfs/dbraw/zinc/62/26/05/385622605.db2.gz SNKYNESDNNHFRT-MWLCHTKSSA-N 1 0 228.361 1.079 10 0 BDAERO CN(CC(C)(C)C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292310 385612197 /nfs/dbraw/zinc/61/21/97/385612197.db2.gz QRDHKCRRCPYRGU-LLVKDONJSA-N 1 0 226.364 1.881 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCc2ccccc21 ZINC000055421534 385641922 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ZINC000398749465 386984808 /nfs/dbraw/zinc/98/48/08/386984808.db2.gz VGBTZCJIAOMODL-RNJOBUHISA-N 1 0 227.348 1.240 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC000398760657 386985248 /nfs/dbraw/zinc/98/52/48/386985248.db2.gz BVHJPVGVEKWHHN-MGPQQGTHSA-N 1 0 232.327 1.674 10 0 BDAERO Cc1ccccc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000334820580 386950487 /nfs/dbraw/zinc/95/04/87/386950487.db2.gz LJFKVKIWOQJXLX-UONOGXRCSA-N 1 0 232.327 1.168 10 0 BDAERO [NH3+]C[C@H](O)c1cc(Cl)c2c(c1)CCC(=O)N2 ZINC000575421664 387031215 /nfs/dbraw/zinc/03/12/15/387031215.db2.gz BLXAXYQHVVYTRD-VIFPVBQESA-N 1 0 240.690 1.217 10 0 BDAERO C[NH2+][C@H](c1cccs1)c1cnccn1 ZINC000040237953 387041202 /nfs/dbraw/zinc/04/12/02/387041202.db2.gz VPPILWCYENVWEB-JTQLQIEISA-N 1 0 205.286 1.847 10 0 BDAERO CCOc1nccnc1N1CC[C@](C)(C[NH3+])C1 ZINC000514664717 387067054 /nfs/dbraw/zinc/06/70/54/387067054.db2.gz RXYAYROQTGIYAG-GFCCVEGCSA-N 1 0 236.319 1.050 10 0 BDAERO [NH3+][C@@]1(c2cscn2)CCCSC1 ZINC000575464708 387059659 /nfs/dbraw/zinc/05/96/59/387059659.db2.gz RTLHLSVFYNPTRO-QMMMGPOBSA-N 1 0 200.332 1.824 10 0 BDAERO Cc1cnc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cn1 ZINC000228063302 387063997 /nfs/dbraw/zinc/06/39/97/387063997.db2.gz GADGDAUKNQXLKO-TZMCWYRMSA-N 1 0 246.358 1.454 10 0 BDAERO O[C@H]1CC[N@H+](CCC(F)(F)C(F)(F)F)C1 ZINC000575410987 387012503 /nfs/dbraw/zinc/01/25/03/387012503.db2.gz LGNHDGRVCQXJAC-LURJTMIESA-N 1 0 233.180 1.641 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000648022924 387018458 /nfs/dbraw/zinc/01/84/58/387018458.db2.gz RCTINOJQLZYDSE-QWRGUYRKSA-N 1 0 226.364 1.912 10 0 BDAERO CN(Cc1ccccc1)C1=[NH+]CCCCN1 ZINC000575458397 387026181 /nfs/dbraw/zinc/02/61/81/387026181.db2.gz UKULEYFVTMBRJN-UHFFFAOYSA-N 1 0 217.316 1.858 10 0 BDAERO C[C@@H]1CC[C@H](N)C[N@@H+]1C[Si](C)(C)C ZINC000575455494 387026718 /nfs/dbraw/zinc/02/67/18/387026718.db2.gz JPQCVHFKDRISPQ-ZJUUUORDSA-N 1 0 200.402 1.675 10 0 BDAERO O=C(c1cncs1)[C@H]1C[NH2+]CCS1 ZINC000575469019 387084369 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ZINC000352661993 387427185 /nfs/dbraw/zinc/42/71/85/387427185.db2.gz WCUIQUWPVJGFLY-STQMWFEESA-N 1 0 248.326 1.131 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N1CC[C@@H](F)C1 ZINC000575518531 387439976 /nfs/dbraw/zinc/43/99/76/387439976.db2.gz YEKDDRHIXDFIPG-LLVKDONJSA-N 1 0 221.279 1.755 10 0 BDAERO C[N@H+](CCOc1ccccc1)[C@@H]1CCC[C@@H]1O ZINC000352701966 387442033 /nfs/dbraw/zinc/44/20/33/387442033.db2.gz WVKJGMDMPKWQJI-KGLIPLIRSA-N 1 0 235.327 1.911 10 0 BDAERO CCOc1cc(OC)c(C[NH3+])c(OCC)c1 ZINC000575721481 387444250 /nfs/dbraw/zinc/44/42/50/387444250.db2.gz MOEKYMTVHQQILK-UHFFFAOYSA-N 1 0 225.288 1.951 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1cnn(C)c1Cl ZINC000575520612 387447432 /nfs/dbraw/zinc/44/74/32/387447432.db2.gz DEGHNNRPXDWYMS-RITPCOANSA-N 1 0 202.689 1.221 10 0 BDAERO C[C@@]1(CNC2=[NH+]CCS2)CC1(F)F ZINC000575523327 387452964 /nfs/dbraw/zinc/45/29/64/387452964.db2.gz JZWABFUVDPYGAU-ZETCQYMHSA-N 1 0 206.261 1.724 10 0 BDAERO C[C@@H]1CC[C@H](N2CC[C@@H]2C[NH3+])CS1 ZINC000575514059 387387257 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387554249 /nfs/dbraw/zinc/55/42/49/387554249.db2.gz CPFJKPYXIBDYSY-RKDXNWHRSA-N 1 0 200.351 1.174 10 0 BDAERO CC(C)(C)C[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000119865764 387556596 /nfs/dbraw/zinc/55/65/96/387556596.db2.gz VFFAICAIEBLSRV-ZDUSSCGKSA-N 1 0 246.354 1.945 10 0 BDAERO C[C@@H]1CC[C@H](N2CC[C@@H]([NH3+])C2)CS1 ZINC000575535749 387577256 /nfs/dbraw/zinc/57/72/56/387577256.db2.gz ZRWDBFCCARPHJV-BBBLOLIVSA-N 1 0 200.351 1.304 10 0 BDAERO O[C@H](c1nc(Br)cs1)C1C[NH2+]C1 ZINC000575550359 387644380 /nfs/dbraw/zinc/64/43/80/387644380.db2.gz QVLNTKJUUYIHIL-LURJTMIESA-N 1 0 249.133 1.158 10 0 BDAERO COC[C@H]([NH2+][C@H](CC(C)C)CN(C)C)C1CC1 ZINC000126355799 387679276 /nfs/dbraw/zinc/67/92/76/387679276.db2.gz NAFVCNBVTVYHJQ-KGLIPLIRSA-N 1 0 242.407 1.977 10 0 BDAERO CSCC[N@@H+]1CCC[C@]12CCOC2 ZINC000306228303 387680244 /nfs/dbraw/zinc/68/02/44/387680244.db2.gz HHFSPCKSTNPEOQ-SNVBAGLBSA-N 1 0 201.335 1.604 10 0 BDAERO CC(C)([NH3+])[C@H](O)c1ccncc1Cl ZINC000575555344 387691526 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387875883 /nfs/dbraw/zinc/87/58/83/387875883.db2.gz SEJZEZGIDMZNFU-DCAQKATOSA-N 1 0 208.309 1.302 10 0 BDAERO CSCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195039942 387902111 /nfs/dbraw/zinc/90/21/11/387902111.db2.gz GEYYFCVIKMGFOL-LLVKDONJSA-N 1 0 242.388 1.436 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC2(CCCC2)C1 ZINC000238005989 387931615 /nfs/dbraw/zinc/93/16/15/387931615.db2.gz KBVBEUFVLSUYMT-NSHDSACASA-N 1 0 222.332 1.389 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C)C[C@@H]1[NH3+] ZINC000424196488 387923104 /nfs/dbraw/zinc/92/31/04/387923104.db2.gz MWBYMGAZVADESZ-KKOKHZNYSA-N 1 0 224.348 1.618 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1C[C@@H]1C ZINC000321155553 387952488 /nfs/dbraw/zinc/95/24/88/387952488.db2.gz WRARWUXSYFSCOI-XWLWVQCSSA-N 1 0 210.321 1.289 10 0 BDAERO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245466038 387947034 /nfs/dbraw/zinc/94/70/34/387947034.db2.gz QSFSLWAMQKXQBB-IGQOVBAYSA-N 1 0 248.370 1.729 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000245640207 387969895 /nfs/dbraw/zinc/96/98/95/387969895.db2.gz SDMCKCFAMVDCEO-FPMFFAJLSA-N 1 0 249.358 1.893 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCC[N@H+](C)C2)O1 ZINC000245950395 387995097 /nfs/dbraw/zinc/99/50/97/387995097.db2.gz ATSYPZNTSSGMSX-GRYCIOLGSA-N 1 0 240.347 1.107 10 0 BDAERO C[C@@H]1C[N@H+](CC(C)(C)C)C[C@H]1N1CCOCC1 ZINC000245791374 387984037 /nfs/dbraw/zinc/98/40/37/387984037.db2.gz WDCYBXLMCCXPKX-CHWSQXEVSA-N 1 0 240.391 1.685 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCO[C@H]1C ZINC000245940284 387997020 /nfs/dbraw/zinc/99/70/20/387997020.db2.gz MHGYYWKLRYONNM-YNEHKIRRSA-N 1 0 228.380 1.730 10 0 BDAERO COC[C@@H](C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000246090494 388008645 /nfs/dbraw/zinc/00/86/45/388008645.db2.gz GCAXBUPXYXVLNH-VXGBXAGGSA-N 1 0 242.363 1.117 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)OC ZINC000246139920 388014316 /nfs/dbraw/zinc/01/43/16/388014316.db2.gz ZVJPFGJDFONLNZ-NEPJUHHUSA-N 1 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1 0 240.351 1.356 10 0 BDAERO Cc1nnc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000646088937 388140532 /nfs/dbraw/zinc/14/05/32/388140532.db2.gz AXBSKEKCUOTVTA-IVZWLZJFSA-N 1 0 207.277 1.656 10 0 BDAERO COc1cccnc1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000165736367 388253193 /nfs/dbraw/zinc/25/31/93/388253193.db2.gz ZCPHAMKWGGDQKB-BDAKNGLRSA-N 1 0 209.293 1.628 10 0 BDAERO Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000275637050 388345312 /nfs/dbraw/zinc/34/53/12/388345312.db2.gz UOROQTDOGKJKTD-LDYMZIIASA-N 1 0 243.738 1.324 10 0 BDAERO [NH3+]C1CC(O)(c2cccnc2Br)C1 ZINC000575518820 388355847 /nfs/dbraw/zinc/35/58/47/388355847.db2.gz VQADDPXUGYBMED-UHFFFAOYSA-N 1 0 243.104 1.153 10 0 BDAERO C[C@H]1CCC[N@@H+]1C[C@H]1CNCCS1 ZINC000575522376 388358943 /nfs/dbraw/zinc/35/89/43/388358943.db2.gz BZLHUOKKNDRPQJ-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO Cc1nnc(CC2(F)CC([NH3+])C2)s1 ZINC000575522796 388359156 /nfs/dbraw/zinc/35/91/56/388359156.db2.gz XIJNNZVNBBHUGP-UHFFFAOYSA-N 1 0 201.270 1.218 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CN ZINC000163536655 388364282 /nfs/dbraw/zinc/36/42/82/388364282.db2.gz GXYJOVUNEITHRF-WDEREUQCSA-N 1 0 200.326 1.082 10 0 BDAERO CN(CC[NH3+])C[C@H]1CCCCC1(F)F ZINC000327506686 388376490 /nfs/dbraw/zinc/37/64/90/388376490.db2.gz PZMOFTKGDYQMEZ-SECBINFHSA-N 1 0 206.280 1.702 10 0 BDAERO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300690912 388388184 /nfs/dbraw/zinc/38/81/84/388388184.db2.gz OAJGVVSHIIARTE-USZNOCQGSA-N 1 0 222.332 1.243 10 0 BDAERO c1ncn(CC[NH2+]C2C3CC4CC(C3)CC2C4)n1 ZINC000336908159 388442495 /nfs/dbraw/zinc/44/24/95/388442495.db2.gz ZOUGLJCZQBQARS-UHFFFAOYSA-N 1 0 246.358 1.692 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C(C)(C)CN(C)C ZINC000308639040 388445668 /nfs/dbraw/zinc/44/56/68/388445668.db2.gz YJGJAWQHOYZBOK-GFCCVEGCSA-N 1 0 246.395 1.094 10 0 BDAERO Cc1ocnc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246790016 388446497 /nfs/dbraw/zinc/44/64/97/388446497.db2.gz BKRQMNNEYHQKLZ-KOLCDFICSA-N 1 0 249.314 1.292 10 0 BDAERO Cc1cccnc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000334746132 388447359 /nfs/dbraw/zinc/44/73/59/388447359.db2.gz NXANFEXXKXVLQU-CMPLNLGQSA-N 1 0 220.316 1.593 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccn1C ZINC000177027590 388471262 /nfs/dbraw/zinc/47/12/62/388471262.db2.gz IHCQYBLKDPSMAA-LBPRGKRZSA-N 1 0 249.358 1.581 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000328371076 388412891 /nfs/dbraw/zinc/41/28/91/388412891.db2.gz SDRSFUAJRAXDRK-OLZOCXBDSA-N 1 0 226.364 1.485 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H](O)C2CCC2)[C@@H]2CCO[C@H]21 ZINC000316431330 388412986 /nfs/dbraw/zinc/41/29/86/388412986.db2.gz OPHBYWOVOJWTJE-WUHRBBMRSA-N 1 0 239.359 1.551 10 0 BDAERO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc[nH]3)[C@H]2C1 ZINC000245524518 388422052 /nfs/dbraw/zinc/42/20/52/388422052.db2.gz NRZZXPSLSQBNHO-JQWIXIFHSA-N 1 0 233.315 1.181 10 0 BDAERO Cc1noc(C)c1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000296340266 388422712 /nfs/dbraw/zinc/42/27/12/388422712.db2.gz RFMHTUBIOZAYLI-JOYOIKCWSA-N 1 0 224.304 1.637 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CCCF)C[C@H]2C1 ZINC000307483694 388423031 /nfs/dbraw/zinc/42/30/31/388423031.db2.gz AVCYAXOJAYKPCH-GMTAPVOTSA-N 1 0 201.285 1.439 10 0 BDAERO CCc1cc(N2CC[C@@H](CCO)C2)cc[nH+]1 ZINC000307785226 388426629 /nfs/dbraw/zinc/42/66/29/388426629.db2.gz NUKULUGOFFGHKW-NSHDSACASA-N 1 0 220.316 1.853 10 0 BDAERO CSC[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339507708 388479782 /nfs/dbraw/zinc/47/97/82/388479782.db2.gz MCHCDISQQXRPHX-VIFPVBQESA-N 1 0 203.351 1.489 10 0 BDAERO CC(C)C1([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000393439286 388430333 /nfs/dbraw/zinc/43/03/33/388430333.db2.gz XMZPKZVWFFMIHC-SNVBAGLBSA-N 1 0 210.321 1.385 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000298434965 388438715 /nfs/dbraw/zinc/43/87/15/388438715.db2.gz QHGSEMUHHYROKW-NWANDNLSSA-N 1 0 249.354 1.955 10 0 BDAERO CC(C)[C@](C)(CO)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000352895725 388540576 /nfs/dbraw/zinc/54/05/76/388540576.db2.gz WGPOEDYRWVJJHH-YPMHNXCESA-N 1 0 247.379 1.159 10 0 BDAERO CC[C@@H]([NH2+]CC(C)(C)C(N)=O)[C@@H]1CC1(C)C ZINC000397627972 388485039 /nfs/dbraw/zinc/48/50/39/388485039.db2.gz NEBBLFVUYYKLCN-VHSXEESVSA-N 1 0 226.364 1.912 10 0 BDAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)COC ZINC000034938800 388492942 /nfs/dbraw/zinc/49/29/42/388492942.db2.gz BMAAABZZMAYNDY-GARJFASQSA-N 1 0 230.352 1.304 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccnc2cccnc21 ZINC000341019485 388494032 /nfs/dbraw/zinc/49/40/32/388494032.db2.gz SOALCNYHZDPIOK-ZJUUUORDSA-N 1 0 228.299 1.556 10 0 BDAERO Cc1cc(C(=O)N(C)[C@@H]2CCC[NH2+]C2)c(C)o1 ZINC000037540946 177742081 /nfs/dbraw/zinc/74/20/81/177742081.db2.gz XWDCRCHQSJPBEU-LLVKDONJSA-N 1 0 236.315 1.720 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(C)o2)C1 ZINC000343978761 388503941 /nfs/dbraw/zinc/50/39/41/388503941.db2.gz LEHNNGXIHCCEJS-JQWIXIFHSA-N 1 0 225.288 1.170 10 0 BDAERO CCC[C@H](C[NH2+]CCn1cc(C)cn1)OC ZINC000378781921 388504363 /nfs/dbraw/zinc/50/43/63/388504363.db2.gz FWZSZAMEFRSQTR-GFCCVEGCSA-N 1 0 225.336 1.596 10 0 BDAERO CCc1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2CO)cc1 ZINC000344098792 388504545 /nfs/dbraw/zinc/50/45/45/388504545.db2.gz HNHDUSPQVXBQHQ-HUUCEWRRSA-N 1 0 249.354 1.831 10 0 BDAERO CCc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2CO)cc1 ZINC000344098783 388505159 /nfs/dbraw/zinc/50/51/59/388505159.db2.gz HNHDUSPQVXBQHQ-CABCVRRESA-N 1 0 249.354 1.831 10 0 BDAERO CCSCC[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000344868263 388509889 /nfs/dbraw/zinc/50/98/89/388509889.db2.gz VPUIACQHGIDLLQ-DTWKUNHWSA-N 1 0 207.314 1.144 10 0 BDAERO CC(C)C1([NH2+]CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000378861796 388525617 /nfs/dbraw/zinc/52/56/17/388525617.db2.gz RRTVFFORGYDLAH-NSHDSACASA-N 1 0 245.388 1.589 10 0 BDAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(C)(C)O)C12CCC2 ZINC000361033085 388559658 /nfs/dbraw/zinc/55/96/58/388559658.db2.gz SDJJFPCATCBLMA-GMTAPVOTSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(C)(C)O ZINC000528755574 388567207 /nfs/dbraw/zinc/56/72/07/388567207.db2.gz KJEAAINNDAZPPM-UTINFBMNSA-N 1 0 201.310 1.159 10 0 BDAERO CSC1(C[NH2+][C@@H]2CCc3nccn3C2)CC1 ZINC000368566195 388569741 /nfs/dbraw/zinc/56/97/41/388569741.db2.gz HETZLPOMSWSZCF-SNVBAGLBSA-N 1 0 237.372 1.683 10 0 BDAERO C[C@@H]1CCC[C@H]1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000184703535 388582152 /nfs/dbraw/zinc/58/21/52/388582152.db2.gz UWBVNHYDLKBEAT-AGIUHOORSA-N 1 0 238.375 1.975 10 0 BDAERO CC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248373719 388675992 /nfs/dbraw/zinc/67/59/92/388675992.db2.gz KVTVDNFIHOOZKN-FRRDWIJNSA-N 1 0 226.364 1.437 10 0 BDAERO [NH3+]C[C@@H]1CCCN1Cc1ncccc1Cl ZINC000530213115 388627780 /nfs/dbraw/zinc/62/77/80/388627780.db2.gz UDPMXGVODFQKFJ-VIFPVBQESA-N 1 0 225.723 1.658 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000246453654 388638169 /nfs/dbraw/zinc/63/81/69/388638169.db2.gz IYKTUVFHMDWRCY-STQMWFEESA-N 1 0 226.364 1.439 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)OCC1CC1 ZINC000189685277 388642066 /nfs/dbraw/zinc/64/20/66/388642066.db2.gz HOCIFJJGMHSBLF-LBPRGKRZSA-N 1 0 240.347 1.949 10 0 BDAERO CC/C=C/CC[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248606567 388685538 /nfs/dbraw/zinc/68/55/38/388685538.db2.gz FZXNAOSKDXIOCD-IHDARNGBSA-N 1 0 240.391 1.730 10 0 BDAERO CCOCCN1CC[N@@H+]([C@H](C)COC)C[C@H]1C ZINC000247239322 388661456 /nfs/dbraw/zinc/66/14/56/388661456.db2.gz DKUNCNXXBDIEHI-CHWSQXEVSA-N 1 0 244.379 1.064 10 0 BDAERO c1cn2c(n1)CC[C@@H](C[NH2+]CC1CCOCC1)C2 ZINC000328656947 388739507 /nfs/dbraw/zinc/73/95/07/388739507.db2.gz ZVKBSRXMQXPFBC-ZDUSSCGKSA-N 1 0 249.358 1.462 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248659046 388689461 /nfs/dbraw/zinc/68/94/61/388689461.db2.gz UUBQNIRPYJINNG-FRRDWIJNSA-N 1 0 229.364 1.894 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC[C@H]1CCCO1 ZINC000248945732 388701284 /nfs/dbraw/zinc/70/12/84/388701284.db2.gz DJHVMIYVMUCGJZ-ZIAGYGMSSA-N 1 0 240.391 1.972 10 0 BDAERO CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C)CCO1 ZINC000226433483 388719513 /nfs/dbraw/zinc/71/95/13/388719513.db2.gz GBCUXOBXLUEVMA-FDYHWXHSSA-N 1 0 227.348 1.957 10 0 BDAERO CC(C)OC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000127346947 388721265 /nfs/dbraw/zinc/72/12/65/388721265.db2.gz ZVZAKKMDMQNDFP-SECBINFHSA-N 1 0 200.282 1.167 10 0 BDAERO C[C@H]([NH3+])[C@@](C)(O)c1cccnc1Br ZINC000575449372 388729952 /nfs/dbraw/zinc/72/99/52/388729952.db2.gz QQFFLMILGRUTFF-IMTBSYHQSA-N 1 0 245.120 1.399 10 0 BDAERO [NH3+]C1(c2cc(F)ccc2Cl)COC1 ZINC000575458776 388800742 /nfs/dbraw/zinc/80/07/42/388800742.db2.gz SHJNQUJYGGMSAZ-UHFFFAOYSA-N 1 0 201.628 1.663 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)C12CCC2 ZINC000091538569 388766830 /nfs/dbraw/zinc/76/68/30/388766830.db2.gz DBHNEDXOAJRZJD-FIYWTHMPSA-N 1 0 239.359 1.695 10 0 BDAERO C[C@@H](C[NH3+])CNc1nc(C(F)(F)F)ns1 ZINC000228811385 388774404 /nfs/dbraw/zinc/77/44/04/388774404.db2.gz AHNFCLFSRLMAAX-BYPYZUCNSA-N 1 0 240.254 1.564 10 0 BDAERO CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000129217026 388826324 /nfs/dbraw/zinc/82/63/24/388826324.db2.gz JMJMJOBBVCBGIT-XQQFMLRXSA-N 1 0 229.364 1.942 10 0 BDAERO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000230606711 388827680 /nfs/dbraw/zinc/82/76/80/388827680.db2.gz GGUXNUOQLQBJGW-JHJVBQTASA-N 1 0 229.364 1.677 10 0 BDAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cscn1 ZINC000229130361 388834137 /nfs/dbraw/zinc/83/41/37/388834137.db2.gz UZWKIXAAWXROKG-AFPNSQJFSA-N 1 0 212.318 1.565 10 0 BDAERO CC[C@@H]1COC[C@@]12[NH2+]CC[C@@H](C)S2 ZINC000575479677 388862060 /nfs/dbraw/zinc/86/20/60/388862060.db2.gz FADRZDHCLIVEHJ-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO Cc1ncc([C@@H]([NH3+])CC2OCCO2)s1 ZINC000575491552 388929680 /nfs/dbraw/zinc/92/96/80/388929680.db2.gz XOYNJMRGKIIXOO-ZETCQYMHSA-N 1 0 214.290 1.214 10 0 BDAERO CC1CC(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000566004600 388982351 /nfs/dbraw/zinc/98/23/51/388982351.db2.gz KWTCXACDTYYWSN-BEZKJRAVSA-N 1 0 236.359 1.618 10 0 BDAERO C[C@H]1[NH2+]CC[C@H]1c1cc(Br)nn1C ZINC000575502936 388990167 /nfs/dbraw/zinc/99/01/67/388990167.db2.gz ZJRWAUXUEDWHMW-RNFRBKRXSA-N 1 0 244.136 1.648 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1c1cc(Br)nn1C ZINC000575502935 388990605 /nfs/dbraw/zinc/99/06/05/388990605.db2.gz ZJRWAUXUEDWHMW-NKWVEPMBSA-N 1 0 244.136 1.648 10 0 BDAERO [NH3+][C@@H]1CO[C@@H](c2ccc(Br)o2)C1 ZINC000575508020 388992753 /nfs/dbraw/zinc/99/27/53/388992753.db2.gz JQNBQLNZYNSCHY-CAHLUQPWSA-N 1 0 232.077 1.831 10 0 BDAERO COCc1ccc(C[NH2+]CCn2cc(C)cn2)o1 ZINC000268786636 389004236 /nfs/dbraw/zinc/00/42/36/389004236.db2.gz KLJMNJXIYSHYFF-UHFFFAOYSA-N 1 0 249.314 1.721 10 0 BDAERO CC[C@H]1C[C@]2(CO1)[NH2+]C(C)(C)CS2 ZINC000575509988 389006071 /nfs/dbraw/zinc/00/60/71/389006071.db2.gz SBDAZDWASHFZGT-WPRPVWTQSA-N 1 0 201.335 1.997 10 0 BDAERO CC[NH2+][C@@H]1CO[C@@]2(C1)CCCSC2 ZINC000575510903 389007213 /nfs/dbraw/zinc/00/72/13/389007213.db2.gz AGJMOMCDFKLQAY-VHSXEESVSA-N 1 0 201.335 1.651 10 0 BDAERO C[C@@H]1CN(c2ccccc2C(N)=[NH2+])CCO1 ZINC000020075844 132329655 /nfs/dbraw/zinc/32/96/55/132329655.db2.gz DPEUYTSVZDIICY-SECBINFHSA-N 1 0 219.288 1.196 10 0 BDAERO CC[C@H]1CN(c2ccccc2C[NH3+])CCO1 ZINC000037504496 132344777 /nfs/dbraw/zinc/34/47/77/132344777.db2.gz RVRZKFMINYZULI-LBPRGKRZSA-N 1 0 220.316 1.761 10 0 BDAERO C[C@@H]1C[C@H](C)CN(c2ccc(C[NH3+])nn2)C1 ZINC000051396437 132360182 /nfs/dbraw/zinc/36/01/82/132360182.db2.gz BHRHVMQGMPQFPR-AOOOYVTPSA-N 1 0 220.320 1.418 10 0 BDAERO COCCCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401595666 533258508 /nfs/dbraw/zinc/25/85/08/533258508.db2.gz VLXVTSZKKKZTGM-GHMZBOCLSA-N 1 0 201.310 1.116 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000040630771 322833455 /nfs/dbraw/zinc/83/34/55/322833455.db2.gz UGTQWXXPELMPGZ-VXGBXAGGSA-N 1 0 234.299 1.310 10 0 BDAERO [NH3+][C@@H]1CCCN(c2ccc3c(n2)CCCC3=O)C1 ZINC000333520571 132245205 /nfs/dbraw/zinc/24/52/05/132245205.db2.gz KPRRJHATSGBONB-SNVBAGLBSA-N 1 0 245.326 1.528 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1ccnc2cccnc21 ZINC000341051214 132297522 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/nfs/dbraw/zinc/32/54/51/132325451.db2.gz QYSMZMHWNWBXFC-SNVBAGLBSA-N 1 0 248.330 1.107 10 0 BDAERO CC[C@H](C)[NH+]1CCN(c2ccc(N)nc2)CC1 ZINC000035367797 132338328 /nfs/dbraw/zinc/33/83/28/132338328.db2.gz MPPZSCAFGLPSTB-NSHDSACASA-N 1 0 234.347 1.584 10 0 BDAERO C[C@@H](O)c1c(F)cccc1N1CC[NH+](C)CC1 ZINC000035631095 132338605 /nfs/dbraw/zinc/33/86/05/132338605.db2.gz JJZHBNKBYRDLHK-SNVBAGLBSA-N 1 0 238.306 1.631 10 0 BDAERO C[C@@H]1CN(c2ccc(F)cc2C[NH3+])[C@H](C)CO1 ZINC000035788391 132339612 /nfs/dbraw/zinc/33/96/12/132339612.db2.gz NYWXLDICLXRORH-NXEZZACHSA-N 1 0 238.306 1.898 10 0 BDAERO CC[C@H]1CCCN(c2ncccc2C(N)=[NH2+])C1 ZINC000036169773 132340198 /nfs/dbraw/zinc/34/01/98/132340198.db2.gz LESRUSHZFAHJDR-JTQLQIEISA-N 1 0 232.331 1.992 10 0 BDAERO CC[C@H]1CCCN(c2ccc(C(N)=[NH2+])cn2)C1 ZINC000036169775 132340199 /nfs/dbraw/zinc/34/01/99/132340199.db2.gz INWFTWAYRCVIPM-JTQLQIEISA-N 1 0 232.331 1.992 10 0 BDAERO C[NH+](C)C1CCN(c2ccc(CO)cc2)CC1 ZINC000036192667 132340675 /nfs/dbraw/zinc/34/06/75/132340675.db2.gz URBNTGGHPHMVNY-UHFFFAOYSA-N 1 0 234.343 1.709 10 0 BDAERO Cc1cc(N2C[C@H](C)O[C@@H](C)C2)[nH+]cc1N ZINC000036250867 132341747 /nfs/dbraw/zinc/34/17/47/132341747.db2.gz BUXXQVCOSZXBGX-UWVGGRQHSA-N 1 0 221.304 1.586 10 0 BDAERO [NH3+]CCOc1cccc(N2CCCCC2=O)c1 ZINC000036683177 132342243 /nfs/dbraw/zinc/34/22/43/132342243.db2.gz UPWJPDMRGXNJBV-UHFFFAOYSA-N 1 0 234.299 1.541 10 0 BDAERO c1ccc(N2CCN(C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000039141081 132346622 /nfs/dbraw/zinc/34/66/22/132346622.db2.gz BTCTUXBLVXWVPT-AWEZNQCLSA-N 1 0 245.370 1.561 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040431801 132347539 /nfs/dbraw/zinc/34/75/39/132347539.db2.gz WYYOYWWJTSGFQN-CABCVRRESA-N 1 0 245.370 1.688 10 0 BDAERO COc1ccccc1N1CCC(C[NH3+])CC1 ZINC000039076143 132347601 /nfs/dbraw/zinc/34/76/01/132347601.db2.gz PBOYJAITSSDOFN-UHFFFAOYSA-N 1 0 220.316 1.870 10 0 BDAERO C[C@@H]1C[NH2+]CCN1c1ccc(F)cc1F ZINC000041226211 132349504 /nfs/dbraw/zinc/34/95/04/132349504.db2.gz AWYLHNIBCXZLEN-MRVPVSSYSA-N 1 0 212.243 1.763 10 0 BDAERO O=C1CNc2ccccc2N1CC[NH+]1CCCC1 ZINC000041296285 132349987 /nfs/dbraw/zinc/34/99/87/132349987.db2.gz UTHCKPWHQKOMTK-UHFFFAOYSA-N 1 0 245.326 1.541 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1ccc(Cl)nn1 ZINC000044559504 132354379 /nfs/dbraw/zinc/35/43/79/132354379.db2.gz YBMZJRTVRAZTRB-QMMMGPOBSA-N 1 0 226.711 1.448 10 0 BDAERO C[C@H]1CN(c2cc(N)cc[nH+]2)CC(C)(C)O1 ZINC000045687678 132354704 /nfs/dbraw/zinc/35/47/04/132354704.db2.gz IEDDOFKPXKLPSA-VIFPVBQESA-N 1 0 221.304 1.668 10 0 BDAERO Nc1cc(C(F)(F)F)ccc1N1CC[NH2+]CC1 ZINC000050607356 132359349 /nfs/dbraw/zinc/35/93/49/132359349.db2.gz BJVQUBORKZNJPC-UHFFFAOYSA-N 1 0 245.248 1.697 10 0 BDAERO C[C@@H]1CN(c2cccc(C[NH3+])n2)C[C@@H](C)O1 ZINC000051396174 132360003 /nfs/dbraw/zinc/36/00/03/132360003.db2.gz CEGZLCMFGRUKLY-NXEZZACHSA-N 1 0 221.304 1.154 10 0 BDAERO C[C@@H]1CCCN(c2ccnc(C[NH3+])c2)C1 ZINC000051396205 132360159 /nfs/dbraw/zinc/36/01/59/132360159.db2.gz MOFRNFVVIIPPPL-SNVBAGLBSA-N 1 0 205.305 1.777 10 0 BDAERO [NH3+]Cc1nc(N2CCOCC2)ccc1Cl ZINC000051396122 132360164 /nfs/dbraw/zinc/36/01/64/132360164.db2.gz ZNBCKEDAKFVYPO-UHFFFAOYSA-N 1 0 227.695 1.030 10 0 BDAERO CC[C@@H]1CCCN(c2ccc(C[NH2+]C)nn2)C1 ZINC000051445994 132361189 /nfs/dbraw/zinc/36/11/89/132361189.db2.gz XVYXFELCXUZZAX-LLVKDONJSA-N 1 0 234.347 1.822 10 0 BDAERO O=C1CCc2ccc(F)cc2N1C[C@@H]1CC[NH2+]C1 ZINC000051890232 132361943 /nfs/dbraw/zinc/36/19/43/132361943.db2.gz KNIPJBCPTJAGST-SNVBAGLBSA-N 1 0 248.301 1.714 10 0 BDAERO CC[NH2+]C[C@@H](C)N1CCN(c2ccccn2)CC1 ZINC000052418543 132362228 /nfs/dbraw/zinc/36/22/28/132362228.db2.gz ZGRPJRWQKRMKMQ-CYBMUJFWSA-N 1 0 248.374 1.202 10 0 BDAERO CC[NH2+]C[C@H](C)N1CCN(c2ccccn2)CC1 ZINC000052418544 132362236 /nfs/dbraw/zinc/36/22/36/132362236.db2.gz ZGRPJRWQKRMKMQ-ZDUSSCGKSA-N 1 0 248.374 1.202 10 0 BDAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccccn1 ZINC000053704263 132363151 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/nfs/dbraw/zinc/47/71/61/133477161.db2.gz ALEFEZRYBIKKSZ-MRVPVSSYSA-N 1 0 219.292 1.187 10 0 BDAERO Cc1nc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])sc1C ZINC000082921456 133508457 /nfs/dbraw/zinc/50/84/57/133508457.db2.gz FXBSDLNBJJGVQM-RKDXNWHRSA-N 1 0 239.344 1.826 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCC1 ZINC000161578778 133514990 /nfs/dbraw/zinc/51/49/90/133514990.db2.gz RNMXOHANXRVQFY-PWSUYJOCSA-N 1 0 212.337 1.095 10 0 BDAERO CC(C)c1cc(NC[C@H](C)C[NH3+])ncn1 ZINC000083387534 133524714 /nfs/dbraw/zinc/52/47/14/133524714.db2.gz DAQNQCXLGAYWFO-SECBINFHSA-N 1 0 208.309 1.607 10 0 BDAERO C[C@@]1(F)CCCN(C(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000335261630 133818542 /nfs/dbraw/zinc/81/85/42/133818542.db2.gz PRKHDNHVSLEWSS-ZYHUDNBSSA-N 1 0 243.326 1.130 10 0 BDAERO Cc1ccncc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000335859469 133939968 /nfs/dbraw/zinc/93/99/68/133939968.db2.gz AFKDBBMGHSHMIB-ZYHUDNBSSA-N 1 0 233.315 1.260 10 0 BDAERO CC[C@H]1C[N@@H+](C2CCC2)C[C@H]1N1CCOCC1 ZINC000336181994 134119875 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134284364 /nfs/dbraw/zinc/28/43/64/134284364.db2.gz OHVQWXKDEMGEAP-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO COCCOCCC[NH2+]CC=C(C)C ZINC000219411372 134284633 /nfs/dbraw/zinc/28/46/33/134284633.db2.gz JVUKBXKAGIAQJT-UHFFFAOYSA-N 1 0 201.310 1.595 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2C2CC2)C1 ZINC000176007028 134289995 /nfs/dbraw/zinc/28/99/95/134289995.db2.gz OLAXPPLYPWMBAB-YNEHKIRRSA-N 1 0 236.359 1.633 10 0 BDAERO CC(C)CC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177231492 134296447 /nfs/dbraw/zinc/29/64/47/134296447.db2.gz RGMVTQYOUZDSPL-KGLIPLIRSA-N 1 0 240.391 1.685 10 0 BDAERO CC[C@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220318292 134302940 /nfs/dbraw/zinc/30/29/40/134302940.db2.gz RKLKSIILYAOHTG-AGIUHOORSA-N 1 0 227.348 1.384 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(F)(F)C(F)F ZINC000178149230 134306781 /nfs/dbraw/zinc/30/67/81/134306781.db2.gz ADVRJQMBHPPJOH-NTSWFWBYSA-N 1 0 242.216 1.130 10 0 BDAERO C[NH2+]C1CCN(C(=O)C[C@H](C)C(C)C)CC1 ZINC000179145146 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135215784 /nfs/dbraw/zinc/21/57/84/135215784.db2.gz OEIWNFZXGGFCLX-DGCLKSJQSA-N 1 0 208.349 1.955 10 0 BDAERO Cc1nccc(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261575050 135216780 /nfs/dbraw/zinc/21/67/80/135216780.db2.gz JODMKHXDFOJBOT-SNVBAGLBSA-N 1 0 220.320 1.349 10 0 BDAERO CCC1(C[N@@H+]2CCCNCC2)CCOCC1 ZINC000261578242 135219081 /nfs/dbraw/zinc/21/90/81/135219081.db2.gz LPPJYWUTBQTUEB-UHFFFAOYSA-N 1 0 226.364 1.489 10 0 BDAERO CC1(C)CN(C(=O)[C@H]2CCCS2)CC[C@H]1[NH3+] ZINC000261578947 135219820 /nfs/dbraw/zinc/21/98/20/135219820.db2.gz MCBDTEHNSLIHMU-NXEZZACHSA-N 1 0 242.388 1.468 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261584845 135226155 /nfs/dbraw/zinc/22/61/55/135226155.db2.gz QBKGRSRYBSUKFS-WDEREUQCSA-N 1 0 226.364 1.864 10 0 BDAERO Cc1cccc(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261588831 135229405 /nfs/dbraw/zinc/22/94/05/135229405.db2.gz SPFHHZAGWUCIEJ-LLVKDONJSA-N 1 0 219.332 1.954 10 0 BDAERO CC1(C)CN(c2ccc(F)cn2)CC[C@@H]1[NH3+] ZINC000261591145 135232112 /nfs/dbraw/zinc/23/21/12/135232112.db2.gz VCCOEDOYQMJJLD-JTQLQIEISA-N 1 0 223.295 1.784 10 0 BDAERO CCC1(CN2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000261592743 135233779 /nfs/dbraw/zinc/23/37/79/135233779.db2.gz WDFUCFBNOLWNOW-GFCCVEGCSA-N 1 0 226.364 1.616 10 0 BDAERO CC(C)(NC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000261599696 135238049 /nfs/dbraw/zinc/23/80/49/135238049.db2.gz ZXMSTNHIHGWRCN-UHFFFAOYSA-N 1 0 218.300 1.257 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCC2CCOCC2)C1 ZINC000261546274 135238739 /nfs/dbraw/zinc/23/87/39/135238739.db2.gz GUJVNHCFXQNFIW-VXGBXAGGSA-N 1 0 240.347 1.047 10 0 BDAERO O=C([C@@H]1C[C@H]1C1CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261632225 135241882 /nfs/dbraw/zinc/24/18/82/135241882.db2.gz AALDUOSYGSYTQR-QWHCGFSZSA-N 1 0 248.370 1.635 10 0 BDAERO Cc1ccc(N(C)C(=O)C2C[NH2+]C2)c(C)c1 ZINC000084411571 135247187 /nfs/dbraw/zinc/24/71/87/135247187.db2.gz OUBOHRNGYPLTAQ-UHFFFAOYSA-N 1 0 218.300 1.486 10 0 BDAERO C[C@H](NC(=O)C1C[NH2+]C1)c1ccc(Cl)s1 ZINC000084409453 135248020 /nfs/dbraw/zinc/24/80/20/135248020.db2.gz QJQXRCXCMFFRMX-LURJTMIESA-N 1 0 244.747 1.798 10 0 BDAERO Cc1c[nH]cc1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261732797 135248259 /nfs/dbraw/zinc/24/82/59/135248259.db2.gz HVXYUUYGRFGXEG-GXSJLCMTSA-N 1 0 235.331 1.523 10 0 BDAERO Cc1ccc(C[C@H](C)NC(=O)C2C[NH2+]C2)s1 ZINC000084412553 135248707 /nfs/dbraw/zinc/24/87/07/135248707.db2.gz MYRNCXWHNCUKAQ-QMMMGPOBSA-N 1 0 238.356 1.323 10 0 BDAERO C[C@@]1(C[NH3+])CCN(Cc2ccn(C(F)F)n2)C1 ZINC000261783617 135252378 /nfs/dbraw/zinc/25/23/78/135252378.db2.gz UFGWMAJKAOOVSE-NSHDSACASA-N 1 0 244.289 1.449 10 0 BDAERO [NH3+]Cc1cc(-c2nc([C@@H]3CCOC3)no2)co1 ZINC000261787636 135252963 /nfs/dbraw/zinc/25/29/63/135252963.db2.gz OFCCMCOBMZUJJT-SSDOTTSWSA-N 1 0 235.243 1.292 10 0 BDAERO Cc1n[nH]c(C)c1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261789759 135253843 /nfs/dbraw/zinc/25/38/43/135253843.db2.gz UVWRWILQZMVIFW-LBPRGKRZSA-N 1 0 236.363 1.586 10 0 BDAERO CCCSCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261893047 135260967 /nfs/dbraw/zinc/26/09/67/135260967.db2.gz VKOYNJJGTYVWIR-WDEREUQCSA-N 1 0 244.404 1.715 10 0 BDAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000262031428 135273555 /nfs/dbraw/zinc/27/35/55/135273555.db2.gz SJUVLCFJZGCAPB-CNVPUSNMSA-N 1 0 222.332 1.228 10 0 BDAERO C[C@H](C(=O)N([C@@H](C)C1CC1)C1CC1)C1C[NH2+]C1 ZINC000262029219 135274252 /nfs/dbraw/zinc/27/42/52/135274252.db2.gz DTNSXIQWVGJQNY-UWVGGRQHSA-N 1 0 236.359 1.631 10 0 BDAERO C[C@@H](C(=O)Nc1ccccc1N)C1C[NH2+]C1 ZINC000262062142 135276659 /nfs/dbraw/zinc/27/66/59/135276659.db2.gz IQCCGVQLOCRZLY-MRVPVSSYSA-N 1 0 219.288 1.063 10 0 BDAERO CC[C@H]1CC[C@H](C(=O)N(C)C2C[NH2+]C2)CC1 ZINC000262242170 135287291 /nfs/dbraw/zinc/28/72/91/135287291.db2.gz PFUHDGQLVJZVKI-XYPYZODXSA-N 1 0 224.348 1.633 10 0 BDAERO O=C(N[C@@H](c1ccccc1)C1CCC1)C1C[NH2+]C1 ZINC000262247868 135287371 /nfs/dbraw/zinc/28/73/71/135287371.db2.gz OZMHJBLHKKRZCF-AWEZNQCLSA-N 1 0 244.338 1.863 10 0 BDAERO O=C(NCC1C2CC3CC(C2)CC1C3)C1C[NH2+]C1 ZINC000262361201 135296783 /nfs/dbraw/zinc/29/67/83/135296783.db2.gz KLERKMXUUYWOHH-UHFFFAOYSA-N 1 0 248.370 1.394 10 0 BDAERO CC(C)N(CC(F)F)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262393061 135298849 /nfs/dbraw/zinc/29/88/49/135298849.db2.gz PXSGGVWIZPEXMU-UWVGGRQHSA-N 1 0 248.317 1.877 10 0 BDAERO C[C@@H](CNC(=O)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000263276213 135343466 /nfs/dbraw/zinc/34/34/66/135343466.db2.gz IYYIXXFJUXNMTA-VIFPVBQESA-N 1 0 236.290 1.265 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1noc(C2CCCC2)n1 ZINC000263262173 135343808 /nfs/dbraw/zinc/34/38/08/135343808.db2.gz RBZIHVJVLWCZNX-SNVBAGLBSA-N 1 0 236.319 1.303 10 0 BDAERO C[C@H](CNC(=O)C1C[NH2+]C1)Cc1cccs1 ZINC000263347170 135347901 /nfs/dbraw/zinc/34/79/01/135347901.db2.gz ZKKPMNVQMVUSNK-VIFPVBQESA-N 1 0 238.356 1.262 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ncccn2)C1 ZINC000268272815 135364115 /nfs/dbraw/zinc/36/41/15/135364115.db2.gz UPEFYRSUPBTXQD-GHMZBOCLSA-N 1 0 220.320 1.617 10 0 BDAERO CC[C@H]([NH3+])CNc1nccc(C(F)(F)F)n1 ZINC000081587097 135387400 /nfs/dbraw/zinc/38/74/00/135387400.db2.gz SYTHFVYJMQKMAC-LURJTMIESA-N 1 0 234.225 1.645 10 0 BDAERO FC1(F)CC([NH2+]CC2CCOCC2)C1 ZINC000307688048 135396172 /nfs/dbraw/zinc/39/61/72/135396172.db2.gz FAACTWRMXWWHPN-UHFFFAOYSA-N 1 0 205.248 1.800 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCCSCC1 ZINC000082921422 135442030 /nfs/dbraw/zinc/44/20/30/135442030.db2.gz PITDBVXIHGDZMR-UWVGGRQHSA-N 1 0 228.361 1.079 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccccc1F ZINC000082920204 135442246 /nfs/dbraw/zinc/44/22/46/135442246.db2.gz SWNLUSHIPLGDMQ-PSASIEDQSA-N 1 0 222.263 1.892 10 0 BDAERO CN(Cc1cccs1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000082920664 135442562 /nfs/dbraw/zinc/44/25/62/135442562.db2.gz HGTWZYSAUYLOIX-WDEREUQCSA-N 1 0 238.356 1.834 10 0 BDAERO CC[C@@H](NC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000084411667 135471619 /nfs/dbraw/zinc/47/16/19/135471619.db2.gz JAZLQFPJGYAEEZ-GFCCVEGCSA-N 1 0 218.300 1.473 10 0 BDAERO Cc1nsc(N[C@@H](C)CCC[NH3+])n1 ZINC000087362309 135505432 /nfs/dbraw/zinc/50/54/32/135505432.db2.gz FBOWNSVQBNKOCU-LURJTMIESA-N 1 0 200.311 1.386 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000232689005 135667066 /nfs/dbraw/zinc/66/70/66/135667066.db2.gz RPFWDVDRZGPXER-IJLUTSLNSA-N 1 0 226.364 1.864 10 0 BDAERO O=C1NCC[C@@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334785137 135812272 /nfs/dbraw/zinc/81/22/72/135812272.db2.gz AEQCEEROJSAIRV-JTQLQIEISA-N 1 0 208.305 1.187 10 0 BDAERO [NH3+]CCNc1cc(Br)ccn1 ZINC000335299497 136007996 /nfs/dbraw/zinc/00/79/96/136007996.db2.gz KFFWPPCLRRRZQL-UHFFFAOYSA-N 1 0 216.082 1.215 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CC1 ZINC000113586639 136011738 /nfs/dbraw/zinc/01/17/38/136011738.db2.gz QCVSKFUZJMEMQM-CMPLNLGQSA-N 1 0 237.347 1.275 10 0 BDAERO CC(C)n1ccnc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000335305473 136022236 /nfs/dbraw/zinc/02/22/36/136022236.db2.gz WRGSTXKOPZEFSZ-MNOVXSKESA-N 1 0 222.336 1.243 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccsc1 ZINC000335593592 136103990 /nfs/dbraw/zinc/10/39/90/136103990.db2.gz HFKMQVDMEZYLII-ONGXEEELSA-N 1 0 238.356 1.752 10 0 BDAERO CSCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000381814100 397773662 /nfs/dbraw/zinc/77/36/62/397773662.db2.gz IQASDYCWNXRCKX-JTQLQIEISA-N 1 0 230.377 1.245 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cncn1C ZINC000177179084 397790371 /nfs/dbraw/zinc/79/03/71/397790371.db2.gz PAWGAFFTQPEJKW-GFCCVEGCSA-N 1 0 236.363 1.336 10 0 BDAERO CC(C)(C)c1noc([C@H]2C[NH2+]CCOC2)n1 ZINC000644511765 397836775 /nfs/dbraw/zinc/83/67/75/397836775.db2.gz ULMGNCHSTBHUNP-QMMMGPOBSA-N 1 0 225.292 1.071 10 0 BDAERO Cc1nc(C)c(CNC(=O)C[C@@H]([NH3+])C(C)C)o1 ZINC000382247676 397927964 /nfs/dbraw/zinc/92/79/64/397927964.db2.gz ZYKRHSTYKOXKDI-SNVBAGLBSA-N 1 0 239.319 1.281 10 0 BDAERO C[N@@H+]1CCO[C@H](c2ccccc2C(N)=O)CC1 ZINC000616687304 397929205 /nfs/dbraw/zinc/92/92/05/397929205.db2.gz SYMQWPHLSSJICZ-LBPRGKRZSA-N 1 0 234.299 1.179 10 0 BDAERO Cc1c[nH]nc1C[N@@H+]1CCC[C@H]1CCCO ZINC000356190940 397929621 /nfs/dbraw/zinc/92/96/21/397929621.db2.gz JANQIFYDPKIORW-NSHDSACASA-N 1 0 223.320 1.455 10 0 BDAERO CSCc1nc2c(s1)C[NH2+]CC2 ZINC000054497295 397909814 /nfs/dbraw/zinc/90/98/14/397909814.db2.gz PVTBHTGMXKZGNI-UHFFFAOYSA-N 1 0 200.332 1.652 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1conn1 ZINC000616670150 397918553 /nfs/dbraw/zinc/91/85/53/397918553.db2.gz ZZBMDCPGBKSAGA-CYBMUJFWSA-N 1 0 244.298 1.522 10 0 BDAERO CC(C)[C@H]([NH3+])c1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000383022211 397995922 /nfs/dbraw/zinc/99/59/22/397995922.db2.gz SIJJERWACWHREF-QWRGUYRKSA-N 1 0 240.351 1.341 10 0 BDAERO O[C@H]1CCC[C@@H](C[NH+]2CCN(C3CC3)CC2)C1 ZINC000383877471 398047009 /nfs/dbraw/zinc/04/70/09/398047009.db2.gz IWTLTSOSBCPHFR-OCCSQVGLSA-N 1 0 238.375 1.318 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cccc(C)c1 ZINC000054075025 398023116 /nfs/dbraw/zinc/02/31/16/398023116.db2.gz PKDNSQZCOBNLNH-LLVKDONJSA-N 1 0 220.316 1.561 10 0 BDAERO C[C@@H]1CN(c2nc(Cl)cs2)C[C@H]1[NH3+] ZINC000300050433 398024055 /nfs/dbraw/zinc/02/40/55/398024055.db2.gz ZSDDJMDEVDOIBH-PHDIDXHHSA-N 1 0 217.725 1.580 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000054073476 398025576 /nfs/dbraw/zinc/02/55/76/398025576.db2.gz IHPDBUHZVQGARO-SSDOTTSWSA-N 1 0 218.260 1.109 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1CC(Cc2ccccc2)C1 ZINC000083905419 398035506 /nfs/dbraw/zinc/03/55/06/398035506.db2.gz MHESYYVUCWGSCN-SNVBAGLBSA-N 1 0 218.300 1.035 10 0 BDAERO [NH3+]CCc1cnc([C@H]2CSCCO2)s1 ZINC000307118678 397980493 /nfs/dbraw/zinc/98/04/93/397980493.db2.gz XIQWGCCJGKXXLV-MRVPVSSYSA-N 1 0 230.358 1.449 10 0 BDAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NC)cc1 ZINC000037207586 397981755 /nfs/dbraw/zinc/98/17/55/397981755.db2.gz QPHZXGFDAVIHMG-SNVBAGLBSA-N 1 0 220.316 1.646 10 0 BDAERO CC(C)([NH3+])C[C@H](F)c1cnc(N)s1 ZINC000307133034 397985512 /nfs/dbraw/zinc/98/55/12/397985512.db2.gz MFOCGIGGMFKONM-YFKPBYRVSA-N 1 0 203.286 1.863 10 0 BDAERO C[N@@H+]1CCN[C@H](c2cc3ccccc3nn2)C1 ZINC000259688302 397987463 /nfs/dbraw/zinc/98/74/63/397987463.db2.gz ZJNWDOJLQMQTJI-ZDUSSCGKSA-N 1 0 228.299 1.206 10 0 BDAERO Cc1nccnc1NCCC1CC[NH2+]CC1 ZINC000650309917 398093916 /nfs/dbraw/zinc/09/39/16/398093916.db2.gz DBPWLNGAWJCWBG-UHFFFAOYSA-N 1 0 220.320 1.587 10 0 BDAERO Cn1nccc1C1CC[NH+](CCCF)CC1 ZINC000125762832 398095273 /nfs/dbraw/zinc/09/52/73/398095273.db2.gz OAHQDTMBNXPJNG-UHFFFAOYSA-N 1 0 225.311 1.959 10 0 BDAERO FCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000125770242 398095311 /nfs/dbraw/zinc/09/53/11/398095311.db2.gz IHKASBLVZFIBMX-UHFFFAOYSA-N 1 0 211.284 1.949 10 0 BDAERO [NH3+]Cc1nc(-n2cccn2)ccc1Cl ZINC000051489009 398055908 /nfs/dbraw/zinc/05/59/08/398055908.db2.gz GGHNIVHXRKRISG-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO Cc1nc(C)c(C[N@H+]2C[C@H](O)C[C@H](C)C2)o1 ZINC000650330377 398115885 /nfs/dbraw/zinc/11/58/85/398115885.db2.gz CGHLWFIVENVZLV-GZMMTYOYSA-N 1 0 224.304 1.494 10 0 BDAERO Nc1ccc(NC2=[NH+]CCN2)cc1Cl ZINC000521401248 398111795 /nfs/dbraw/zinc/11/17/95/398111795.db2.gz IMBICYARTKAVPQ-UHFFFAOYSA-N 1 0 210.668 1.293 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CN1CCCSCC1 ZINC000042444904 171396057 /nfs/dbraw/zinc/39/60/57/171396057.db2.gz HFSBMJYGEMMCLJ-WDEREUQCSA-N 1 0 216.394 1.799 10 0 BDAERO COc1cc(C)nc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389732367 398130388 /nfs/dbraw/zinc/13/03/88/398130388.db2.gz REQQZDKESXMXBS-WPRPVWTQSA-N 1 0 236.319 1.204 10 0 BDAERO CC(C)C[NH2+]C[C@H](C)N1CCn2ccnc2C1 ZINC000062325212 167007191 /nfs/dbraw/zinc/00/71/91/167007191.db2.gz JNWCEBUECMWITG-LBPRGKRZSA-N 1 0 236.363 1.333 10 0 BDAERO CC(C)COC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000037469956 167021527 /nfs/dbraw/zinc/02/15/27/167021527.db2.gz RDEXPWSHNQHEJZ-VIFPVBQESA-N 1 0 200.282 1.073 10 0 BDAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccn2C)C1 ZINC000152358751 167027881 /nfs/dbraw/zinc/02/78/81/167027881.db2.gz UJYMCSMVJPYRTK-OCCSQVGLSA-N 1 0 235.375 1.843 10 0 BDAERO C[NH2+]CC(=O)c1cc(Cl)ccc1F ZINC000082592107 173337136 /nfs/dbraw/zinc/33/71/36/173337136.db2.gz HGTBTXVWCBYARO-UHFFFAOYSA-N 1 0 201.628 1.881 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000037632201 167099647 /nfs/dbraw/zinc/09/96/47/167099647.db2.gz IVOXSGYEFAERLN-RYUDHWBXSA-N 1 0 242.363 1.400 10 0 BDAERO CC(C)[NH2+]CCCC(=O)NCc1ccncc1 ZINC000037633003 167100497 /nfs/dbraw/zinc/10/04/97/167100497.db2.gz UUUWDAJRASARSI-UHFFFAOYSA-N 1 0 235.331 1.476 10 0 BDAERO CC(C)[NH2+][C@H](CO)c1ccc(F)c(F)c1 ZINC000038115690 167140256 /nfs/dbraw/zinc/14/02/56/167140256.db2.gz KRWGLSPQVNZXPU-LLVKDONJSA-N 1 0 215.243 1.996 10 0 BDAERO CC(C)[C@@H]([NH3+])CNc1ccc2nccnc2n1 ZINC000094726495 487557001 /nfs/dbraw/zinc/55/70/01/487557001.db2.gz ZCCBZZMJOIPFAQ-VIFPVBQESA-N 1 0 231.303 1.420 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1ncnc2c1CCCC2 ZINC000094872445 487561375 /nfs/dbraw/zinc/56/13/75/487561375.db2.gz OOAHGEVGUVJWBQ-LLVKDONJSA-N 1 0 246.358 1.673 10 0 BDAERO CC[C@H](C)N(CC)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227872975 487561985 /nfs/dbraw/zinc/56/19/85/487561985.db2.gz DYCSWCQMFNCAMW-GARJFASQSA-N 1 0 212.337 1.761 10 0 BDAERO CC(C)C[C@H](C)C[N@@H+]1CCOC[C@@H]1CO ZINC000300979017 487566475 /nfs/dbraw/zinc/56/64/75/487566475.db2.gz TYBPHCHKZXYULK-RYUDHWBXSA-N 1 0 215.337 1.362 10 0 BDAERO [NH3+]C1CCC(C(=O)NCCOCC2CC2)CC1 ZINC000225401054 487568339 /nfs/dbraw/zinc/56/83/39/487568339.db2.gz MHYDCIKGFCNLFN-UHFFFAOYSA-N 1 0 240.347 1.047 10 0 BDAERO CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)c1nccs1 ZINC000151925244 487575333 /nfs/dbraw/zinc/57/53/33/487575333.db2.gz MYHSFICCWPMYQG-IUCAKERBSA-N 1 0 239.344 1.623 10 0 BDAERO CC(C)OCCN1CC[NH2+][C@@H](C)CC1 ZINC000062568773 167233400 /nfs/dbraw/zinc/23/34/00/167233400.db2.gz HADTUNACNMDXEG-NSHDSACASA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)OCCN1C[C@H]([NH3+])CC[C@@H]1C ZINC000049261228 167237835 /nfs/dbraw/zinc/23/78/35/167237835.db2.gz ANWZFXGZJJLOPG-WDEREUQCSA-N 1 0 200.326 1.223 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)CS1 ZINC000086936355 487592678 /nfs/dbraw/zinc/59/26/78/487592678.db2.gz VHWASKIJFDEBNE-RJQCTPFPSA-N 1 0 201.335 1.241 10 0 BDAERO CCOc1cc(N[C@H](C)C[C@@H](C)[NH3+])nc(C)n1 ZINC000228271886 487604445 /nfs/dbraw/zinc/60/44/45/487604445.db2.gz IHZVKVKJBRQMBN-RKDXNWHRSA-N 1 0 238.335 1.721 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662370906 409680386 /nfs/dbraw/zinc/68/03/86/409680386.db2.gz FQXMCVNLGJNGQU-QWRGUYRKSA-N 1 0 237.290 1.503 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@]1(C)CC1(F)F ZINC000662665335 409826685 /nfs/dbraw/zinc/82/66/85/409826685.db2.gz HZWYPEDYDDCJKJ-SCZZXKLOSA-N 1 0 234.290 1.521 10 0 BDAERO CC[C@H](C)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000662626948 409797207 /nfs/dbraw/zinc/79/72/07/409797207.db2.gz NVMVNIJYQXUPFC-WDEREUQCSA-N 1 0 214.353 1.912 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cn(C)c2ccccc12 ZINC000653137490 409859143 /nfs/dbraw/zinc/85/91/43/409859143.db2.gz AANIGGZRQIEHIH-SNVBAGLBSA-N 1 0 245.326 1.516 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC[C@@H]2CCCO2)C1 ZINC000055089200 409958444 /nfs/dbraw/zinc/95/84/44/409958444.db2.gz HNNMBLPEYNIRGP-TUAOUCFPSA-N 1 0 240.347 1.189 10 0 BDAERO Cc1nnsc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000389578986 410010139 /nfs/dbraw/zinc/01/01/39/410010139.db2.gz FYWOSENLOGACNN-DTWKUNHWSA-N 1 0 227.333 1.240 10 0 BDAERO Cc1ccnc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000128884105 410365367 /nfs/dbraw/zinc/36/53/67/410365367.db2.gz GDYKXPLLVQRELH-SNVBAGLBSA-N 1 0 221.304 1.702 10 0 BDAERO CC(=O)c1cccc(NC[C@@H](O)CC[NH3+])c1 ZINC000071524447 166476510 /nfs/dbraw/zinc/47/65/10/166476510.db2.gz XCNMUCKOQNCQGQ-LBPRGKRZSA-N 1 0 222.288 1.011 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCc1ccco1 ZINC000309238974 410538692 /nfs/dbraw/zinc/53/86/92/410538692.db2.gz WBUXZVAYYZFFMK-KOLCDFICSA-N 1 0 222.288 1.160 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](C)C1 ZINC000102277254 410631812 /nfs/dbraw/zinc/63/18/12/410631812.db2.gz BQCJANBLNCQVNT-WDEREUQCSA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]2C[C@@H]([NH3+])C[C@@H]2C1 ZINC000076685784 166654946 /nfs/dbraw/zinc/65/49/46/166654946.db2.gz HGCLQZXASSWTRJ-HBNTYKKESA-N 1 0 240.347 1.981 10 0 BDAERO CC(C)C(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000019843740 166703316 /nfs/dbraw/zinc/70/33/16/166703316.db2.gz HNUSNWWDZUBOMH-NSHDSACASA-N 1 0 212.337 1.633 10 0 BDAERO [NH3+]C[C@H]1CN(C[C@H]2CCCCC2(F)F)CCO1 ZINC000394511245 410804769 /nfs/dbraw/zinc/80/47/69/410804769.db2.gz ZCLFSFWYGZBVQM-MNOVXSKESA-N 1 0 248.317 1.471 10 0 BDAERO COCC1(CNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000655490371 410807305 /nfs/dbraw/zinc/80/73/05/410807305.db2.gz JTHYYPWWFFSQLA-UHFFFAOYSA-N 1 0 240.347 1.047 10 0 BDAERO COCC1(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000655490463 410808142 /nfs/dbraw/zinc/80/81/42/410808142.db2.gz KYXFFUMXCRISAQ-WDEREUQCSA-N 1 0 240.347 1.047 10 0 BDAERO CC(C)CCOCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111272125 166874603 /nfs/dbraw/zinc/87/46/03/166874603.db2.gz QHKIWUDTRRUDBA-NWDGAFQWSA-N 1 0 242.363 1.021 10 0 BDAERO CN1CCC[C@@H]1C[NH2+][C@H](CO)c1ccccc1 ZINC000395319728 410845756 /nfs/dbraw/zinc/84/57/56/410845756.db2.gz KXYYJDFQUORCAK-ZIAGYGMSSA-N 1 0 234.343 1.404 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395382019 410850501 /nfs/dbraw/zinc/85/05/01/410850501.db2.gz JYARZKKQVZYAGT-STQMWFEESA-N 1 0 240.391 1.564 10 0 BDAERO CC(C)CN(C(=O)N1CC[NH2+]CC1)C1CC1 ZINC000042555978 166924489 /nfs/dbraw/zinc/92/44/89/166924489.db2.gz ARMPTOQVMIDLFN-UHFFFAOYSA-N 1 0 225.336 1.132 10 0 BDAERO CCc1cc(NCCC2(C[NH3+])CC2)nc(C)n1 ZINC000395957169 410869537 /nfs/dbraw/zinc/86/95/37/410869537.db2.gz ROYNYDRKKVENJP-UHFFFAOYSA-N 1 0 234.347 1.310 10 0 BDAERO c1nc(C[NH2+]CC[C@@H]2CCCO2)cs1 ZINC000040436104 410873704 /nfs/dbraw/zinc/87/37/04/410873704.db2.gz JSVLUVQMRHPVQO-JTQLQIEISA-N 1 0 212.318 1.802 10 0 BDAERO CC(C)C[NH2+]C[C@H]1C[C@H]1c1cnn(C)c1 ZINC000054597854 167007829 /nfs/dbraw/zinc/00/78/29/167007829.db2.gz UJBGUXZUWLXRAH-ZYHUDNBSSA-N 1 0 207.321 1.769 10 0 BDAERO CC(C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055122062 167037621 /nfs/dbraw/zinc/03/76/21/167037621.db2.gz OBQYFVMTRXRIFB-UHFFFAOYSA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccnc2)C1 ZINC000158824790 167027150 /nfs/dbraw/zinc/02/71/50/167027150.db2.gz LRAVMKDNDCOBJF-YPMHNXCESA-N 1 0 247.342 1.540 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cnccn2)C1 ZINC000129795031 167030825 /nfs/dbraw/zinc/03/08/25/167030825.db2.gz NQXYFWRSVNPUNC-MNOVXSKESA-N 1 0 220.320 1.617 10 0 BDAERO CC(C)NC(=O)C[N@H+](C)[C@H](C)c1ccc(N)cc1 ZINC000042601213 167048762 /nfs/dbraw/zinc/04/87/62/167048762.db2.gz UMUIRSQWHGHVPH-LLVKDONJSA-N 1 0 249.358 1.786 10 0 BDAERO CC(C)NC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916276 167070023 /nfs/dbraw/zinc/07/00/23/167070023.db2.gz UTXAOKAYGWYKQE-LBPRGKRZSA-N 1 0 239.363 1.568 10 0 BDAERO CC(C)NC(=O)c1cccc(CC[NH3+])c1 ZINC000053661507 167088339 /nfs/dbraw/zinc/08/83/39/167088339.db2.gz BIFYIWLFAXHSCO-UHFFFAOYSA-N 1 0 206.289 1.326 10 0 BDAERO CC(C)[NH2+]CC(=O)N(C)Cc1ccc(O)cc1 ZINC000037823233 167093969 /nfs/dbraw/zinc/09/39/69/167093969.db2.gz VXGLPMJJTQJTHU-UHFFFAOYSA-N 1 0 236.315 1.349 10 0 BDAERO CC(C)[NH2+]CC(=O)Nc1cccnc1Cl ZINC000007424459 167098234 /nfs/dbraw/zinc/09/82/34/167098234.db2.gz MDHZAFMLNYHYLL-UHFFFAOYSA-N 1 0 227.695 1.672 10 0 BDAERO CC(C)[NH2+]CCN1CCC2(C1)CCOCC2 ZINC000303978887 167105118 /nfs/dbraw/zinc/10/51/18/167105118.db2.gz NAZZMEBJMUJIKZ-UHFFFAOYSA-N 1 0 226.364 1.487 10 0 BDAERO CC(C)[NH2+]CCN1CCS[C@H](C)C1 ZINC000123412155 167105379 /nfs/dbraw/zinc/10/53/79/167105379.db2.gz RWHBNOWSGFYQMU-SNVBAGLBSA-N 1 0 202.367 1.422 10 0 BDAERO CC(C)[NH2+]CCc1ccc(S(C)(=O)=O)cc1 ZINC000082550195 167109361 /nfs/dbraw/zinc/10/93/61/167109361.db2.gz VTUPALWLFNEKQL-UHFFFAOYSA-N 1 0 241.356 1.631 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN1CCn1cccn1 ZINC000053649084 167113457 /nfs/dbraw/zinc/11/34/57/167113457.db2.gz WPQDRQSRGSOETE-ZDUSSCGKSA-N 1 0 236.363 1.346 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCN1c1ncccn1 ZINC000053693960 167115466 /nfs/dbraw/zinc/11/54/66/167115466.db2.gz XZDKJXNSYUNICT-LLVKDONJSA-N 1 0 220.320 1.443 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCN1Cc1ncccn1 ZINC000054460335 167115506 /nfs/dbraw/zinc/11/55/06/167115506.db2.gz KVHSFTGZQKYASJ-GFCCVEGCSA-N 1 0 234.347 1.439 10 0 BDAERO CC[NH+](CC)CCNc1cc(C)cc2ncnn21 ZINC000035047894 169781672 /nfs/dbraw/zinc/78/16/72/169781672.db2.gz WYSFLZSXTNBCHT-UHFFFAOYSA-N 1 0 247.346 1.791 10 0 BDAERO CC(C)[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC000052789331 167120877 /nfs/dbraw/zinc/12/08/77/167120877.db2.gz FAFKHTGQLAWZHC-UHFFFAOYSA-N 1 0 248.373 1.186 10 0 BDAERO CC(C)[NH2+][C@H]1CCCC[C@H]1CN1CCOCC1 ZINC000026443115 167140245 /nfs/dbraw/zinc/14/02/45/167140245.db2.gz STGFCDLAXCCJKK-KBPBESRZSA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)OC1CC([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000336764340 167178761 /nfs/dbraw/zinc/17/87/61/167178761.db2.gz QDOLWHKMVBTJNZ-XKGSQUFQSA-N 1 0 213.321 1.709 10 0 BDAERO CC(C)OC(=O)COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798253 167159886 /nfs/dbraw/zinc/15/98/86/167159886.db2.gz FWIWCEDLXVPKMK-GFCCVEGCSA-N 1 0 249.310 1.963 10 0 BDAERO CC(C)OC(=O)N=c1[nH]c2c(s1)C[NH2+]CC2 ZINC000044240553 167166227 /nfs/dbraw/zinc/16/62/27/167166227.db2.gz CVNAPWXBNRCJPR-UHFFFAOYSA-N 1 0 241.316 1.746 10 0 BDAERO CC(C)OC1CC([NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000336764339 167177408 /nfs/dbraw/zinc/17/74/08/167177408.db2.gz QDOLWHKMVBTJNZ-WNYYMSAVSA-N 1 0 213.321 1.709 10 0 BDAERO CC(C)OCCOc1cc(C[NH3+])ccn1 ZINC000019274732 167248253 /nfs/dbraw/zinc/24/82/53/167248253.db2.gz UJVZXZMHVVPAAH-UHFFFAOYSA-N 1 0 210.277 1.344 10 0 BDAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000336651488 167270367 /nfs/dbraw/zinc/27/03/67/167270367.db2.gz VIIZLLNOHKPFKW-IJLUTSLNSA-N 1 0 213.321 1.257 10 0 BDAERO CC(C)Oc1ccc([C@@H]([NH3+])Cn2cncn2)cc1 ZINC000019255535 167299579 /nfs/dbraw/zinc/29/95/79/167299579.db2.gz GVETZYNPMGCLSM-ZDUSSCGKSA-N 1 0 246.314 1.765 10 0 BDAERO CC(C)Oc1ccc([C@](C)([NH3+])CO)cc1 ZINC000038124505 167302692 /nfs/dbraw/zinc/30/26/92/167302692.db2.gz AQSLYTQDHXEIQV-GFCCVEGCSA-N 1 0 209.289 1.640 10 0 BDAERO CC(C)Oc1ccc([C@](C)(O)C[NH3+])cc1 ZINC000032012229 167302920 /nfs/dbraw/zinc/30/29/20/167302920.db2.gz QIDQMGFHBXGWQV-GFCCVEGCSA-N 1 0 209.289 1.640 10 0 BDAERO CC(C)[C@@H](C)NC(=O)CN[C@@H](C)CC[NH+](C)C ZINC000049557089 167373685 /nfs/dbraw/zinc/37/36/85/167373685.db2.gz MNCUGTAZJFHDCT-NWDGAFQWSA-N 1 0 243.395 1.077 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185051676 167375552 /nfs/dbraw/zinc/37/55/52/167375552.db2.gz ALYFCLBPIAAHGE-LLVKDONJSA-N 1 0 241.379 1.767 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000102666736 167383937 /nfs/dbraw/zinc/38/39/37/167383937.db2.gz QXXDYONZZMFBJY-NXEZZACHSA-N 1 0 226.320 1.156 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000037149227 167384579 /nfs/dbraw/zinc/38/45/79/167384579.db2.gz FDPCHMWWDAQNAX-ZJUUUORDSA-N 1 0 222.336 1.919 10 0 BDAERO CC(C)[C@@H](C[NH+](C)C)Nc1ncnc2nc[nH]c21 ZINC000049218756 167395106 /nfs/dbraw/zinc/39/51/06/167395106.db2.gz IULYUCKKNNJLMY-SECBINFHSA-N 1 0 248.334 1.351 10 0 BDAERO CC(C)[C@@H](C[NH3+])n1nnc(-c2ccccc2)n1 ZINC000052574645 167397378 /nfs/dbraw/zinc/39/73/78/167397378.db2.gz NPKLVFHUEJVNJC-LLVKDONJSA-N 1 0 231.303 1.496 10 0 BDAERO CC[C@@H](O)CCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000398497696 410968554 /nfs/dbraw/zinc/96/85/54/410968554.db2.gz IMXQAFIDXHPVTD-GHMZBOCLSA-N 1 0 230.352 1.027 10 0 BDAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000227669255 167480949 /nfs/dbraw/zinc/48/09/49/167480949.db2.gz NPTSAXRUKMGMRS-RTXFEEFZSA-N 1 0 238.375 1.783 10 0 BDAERO CC(C)[C@]1(C)CC(=O)N([C@H]2CCC[NH2+]C2)C1=O ZINC000035282583 167538687 /nfs/dbraw/zinc/53/86/87/167538687.db2.gz SBTUYTKYVGIDEM-GWCFXTLKSA-N 1 0 238.331 1.160 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000382117364 411056863 /nfs/dbraw/zinc/05/68/63/411056863.db2.gz FUZAFLLDWJXVOH-DTWKUNHWSA-N 1 0 212.318 1.230 10 0 BDAERO C[C@@H]1CN(c2ncnc3c2CCCC3)C[C@H]1[NH3+] ZINC000300048797 411075435 /nfs/dbraw/zinc/07/54/35/411075435.db2.gz MSYMXYNKEFBENA-MWLCHTKSSA-N 1 0 232.331 1.139 10 0 BDAERO CC(C)c1cc(N(C)C[C@@H](C)C(N)=[NH2+])ncn1 ZINC000042459959 167571704 /nfs/dbraw/zinc/57/17/04/167571704.db2.gz NJXQEFTUGDPDHH-SECBINFHSA-N 1 0 235.335 1.608 10 0 BDAERO CCC1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000042581969 411019130 /nfs/dbraw/zinc/01/91/30/411019130.db2.gz YJOPVAJWPDEVBV-KPPDAEKUSA-N 1 0 212.337 1.809 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@H]([NH3+])C2CCC2)o1 ZINC000399154126 411021324 /nfs/dbraw/zinc/02/13/24/411021324.db2.gz CHTIOBPCLBGMIM-WCBMZHEXSA-N 1 0 237.303 1.288 10 0 BDAERO COc1cccnc1NC[C@@H]1CC[NH2+]C1 ZINC000107203708 411132777 /nfs/dbraw/zinc/13/27/77/411132777.db2.gz BKVSHYTXYKMYGW-SECBINFHSA-N 1 0 207.277 1.112 10 0 BDAERO C[C@@H]([NH3+])CNc1nc2c(cccc2F)n1C ZINC000212502817 411147475 /nfs/dbraw/zinc/14/74/75/411147475.db2.gz HCGPIPHDGNNDIC-SSDOTTSWSA-N 1 0 222.267 1.472 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2cccnc2)no1 ZINC000109510574 411151008 /nfs/dbraw/zinc/15/10/08/411151008.db2.gz PZXJHGHFRGZPAB-LLVKDONJSA-N 1 0 246.314 1.581 10 0 BDAERO CC(C)c1nc(Cl)cc(N2CC[C@H]([NH3+])C2)n1 ZINC000073737508 167667917 /nfs/dbraw/zinc/66/79/17/167667917.db2.gz SYGDOZRGCVIXDK-QMMMGPOBSA-N 1 0 240.738 1.791 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000309519199 411159620 /nfs/dbraw/zinc/15/96/20/411159620.db2.gz SURCSFCRAYYDQF-DJRKXVOMSA-N 1 0 210.321 1.289 10 0 BDAERO CC(C)c1nn(C)cc1C[NH2+]C[C@H]1CCOC1 ZINC000037739009 167699640 /nfs/dbraw/zinc/69/96/40/167699640.db2.gz YXGMBPHZLTTWQH-LLVKDONJSA-N 1 0 237.347 1.670 10 0 BDAERO CC[C@@H]1CN(c2ncc(F)cn2)CC[C@@H]1[NH3+] ZINC000128519952 411107050 /nfs/dbraw/zinc/10/70/50/411107050.db2.gz VEDQKWDKIQVTLP-SCZZXKLOSA-N 1 0 224.283 1.179 10 0 BDAERO CC(C)c1noc(NC[C@H]2CCC[NH2+]2)n1 ZINC000107211591 167725958 /nfs/dbraw/zinc/72/59/58/167725958.db2.gz DERLCHGHSAACHC-MRVPVSSYSA-N 1 0 210.281 1.357 10 0 BDAERO C[C@@H]([NH3+])c1cnn(CC2CCOCC2)c1 ZINC000054716956 411174826 /nfs/dbraw/zinc/17/48/26/411174826.db2.gz PPESRHMZXPXXTF-SECBINFHSA-N 1 0 209.293 1.329 10 0 BDAERO 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1.009 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000129081302 411218484 /nfs/dbraw/zinc/21/84/84/411218484.db2.gz BPDCORCTBYJPNU-AXFHLTTASA-N 1 0 244.404 1.712 10 0 BDAERO COCC[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401592794 411246739 /nfs/dbraw/zinc/24/67/39/411246739.db2.gz SPHUQPFALFEKLS-DCAQKATOSA-N 1 0 201.310 1.114 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCNC1=O)CC2 ZINC000658053043 411219913 /nfs/dbraw/zinc/21/99/13/411219913.db2.gz JSKYVIMPTKWVCJ-CHWSQXEVSA-N 1 0 246.310 1.161 10 0 BDAERO CC(C)CC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC000658053308 411221512 /nfs/dbraw/zinc/22/15/12/411221512.db2.gz VPOIOWMAQJAYIW-NWDGAFQWSA-N 1 0 224.348 1.679 10 0 BDAERO CC(C)=CCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000660478091 411231424 /nfs/dbraw/zinc/23/14/24/411231424.db2.gz MKLRIJMUXDXCET-MNOVXSKESA-N 1 0 210.321 1.599 10 0 BDAERO COc1ccc(CN2CC[C@@H]([NH3+])[C@@H]2C)c(F)c1 ZINC000310289936 411232339 /nfs/dbraw/zinc/23/23/39/411232339.db2.gz NITCVDKNLQOHFI-TVQRCGJNSA-N 1 0 238.306 1.756 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(C)CC1 ZINC000128841212 411234199 /nfs/dbraw/zinc/23/41/99/411234199.db2.gz FJINFRGNKYPJSW-LLVKDONJSA-N 1 0 212.337 1.618 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCOCC23CCC3)C1 ZINC000660118767 411237117 /nfs/dbraw/zinc/23/71/17/411237117.db2.gz WIEQNLDAHYCNOE-CHWSQXEVSA-N 1 0 239.359 1.792 10 0 BDAERO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(C)o1 ZINC000310435239 411238504 /nfs/dbraw/zinc/23/85/04/411238504.db2.gz UISNPUOSNQYVNZ-RYUDHWBXSA-N 1 0 240.347 1.551 10 0 BDAERO COC1(CC[NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC000310521595 411239374 /nfs/dbraw/zinc/23/93/74/411239374.db2.gz WXASZLCIZUZCMI-NSHDSACASA-N 1 0 229.364 1.942 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccc(N)nc2)C1 ZINC000616598181 411241009 /nfs/dbraw/zinc/24/10/09/411241009.db2.gz PNCOCPVUDOKCBL-LBPRGKRZSA-N 1 0 249.358 1.878 10 0 BDAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C1(CO)CC1 ZINC000658155367 411268970 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CC[C@](C)(O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662038632 411352966 /nfs/dbraw/zinc/35/29/66/411352966.db2.gz WPEXYFYVCBTIOO-WOPDTQHZSA-N 1 0 213.321 1.116 10 0 BDAERO CCC[C@@H](CCO)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000304246998 411354779 /nfs/dbraw/zinc/35/47/79/411354779.db2.gz PQXQBORACRZAGU-NWDGAFQWSA-N 1 0 231.380 1.782 10 0 BDAERO C[C@@H]1CCCN(c2ccccn2)[C@@H]1C[NH3+] ZINC000069727365 411358285 /nfs/dbraw/zinc/35/82/85/411358285.db2.gz XNLPDVFSADBFIP-GHMZBOCLSA-N 1 0 205.305 1.645 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000656708351 411334803 /nfs/dbraw/zinc/33/48/03/411334803.db2.gz MDRSRFXPJZHCAT-OPRDCNLKSA-N 1 0 235.274 1.304 10 0 BDAERO CC1(C[NH2+]C[C@H]2CC23CCOCC3)COC1 ZINC000336778196 168041896 /nfs/dbraw/zinc/04/18/96/168041896.db2.gz KPPSFRQMYPMQJQ-LLVKDONJSA-N 1 0 225.332 1.429 10 0 BDAERO CC1(C[C@@H]([NH3+])c2ccccc2)OCCO1 ZINC000034543761 168050829 /nfs/dbraw/zinc/05/08/29/168050829.db2.gz VXDSPAFERIRQOK-LLVKDONJSA-N 1 0 207.273 1.840 10 0 BDAERO CC1(NC(=O)C[NH2+]C2CCCC2)CCCC1 ZINC000042188006 168054592 /nfs/dbraw/zinc/05/45/92/168054592.db2.gz QLJKHYZHTGJHRC-UHFFFAOYSA-N 1 0 224.348 1.968 10 0 BDAERO CC1=C(C)C(=O)N([C@@H](C)[C@@H]2CCC[NH2+]C2)C1=O ZINC000071164325 168080509 /nfs/dbraw/zinc/08/05/09/168080509.db2.gz ZFPQERRBUYJSNB-WDEREUQCSA-N 1 0 236.315 1.080 10 0 BDAERO CC1CC(=O)N([C@@H]2CCCCC[C@H]2[NH3+])C(=O)C1 ZINC000063214991 168139323 /nfs/dbraw/zinc/13/93/23/168139323.db2.gz KJXOORMHYCYULA-GHMZBOCLSA-N 1 0 238.331 1.432 10 0 BDAERO CC1CCC(CO)([NH2+]CC(C)(C)O)CC1 ZINC000053118139 168156198 /nfs/dbraw/zinc/15/61/98/168156198.db2.gz LQKMAEQFWCSLRD-UHFFFAOYSA-N 1 0 215.337 1.288 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]C[C@@H](O)COC1CCC(C)CC1 ZINC000052278121 168168181 /nfs/dbraw/zinc/16/81/81/168168181.db2.gz BHTAYSGVEJVIDF-XGVQBZMBSA-N 1 0 241.375 1.941 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@]1(C)CC1(F)F ZINC000659360212 411376004 /nfs/dbraw/zinc/37/60/04/411376004.db2.gz BDUPFIVOJPHVOD-ATZCPNFKSA-N 1 0 246.301 1.536 10 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BDAERO C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@@H]1CCCO1 ZINC000657308785 411457594 /nfs/dbraw/zinc/45/75/94/411457594.db2.gz BTOSEFMMKOWZOW-PWSUYJOCSA-N 1 0 235.331 1.486 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000659341344 411399307 /nfs/dbraw/zinc/39/93/07/411399307.db2.gz VJTUZXVBNXSJQL-SRVKXCTJSA-N 1 0 226.364 1.927 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000659341529 411400210 /nfs/dbraw/zinc/40/02/10/411400210.db2.gz XQMMEEHDINMVDA-AAEUAGOBSA-N 1 0 242.363 1.307 10 0 BDAERO C[C@]1(CNC(=O)C[C@H]2CCC[NH2+]C2)CC1(F)F ZINC000659360686 411403007 /nfs/dbraw/zinc/40/30/07/411403007.db2.gz FCXOOXVPBGSILZ-MWLCHTKSSA-N 1 0 246.301 1.538 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC1=CCCC1 ZINC000659379198 411406200 /nfs/dbraw/zinc/40/62/00/411406200.db2.gz BSANGAVXDPVWRK-CMPLNLGQSA-N 1 0 222.332 1.601 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000659380166 411407799 /nfs/dbraw/zinc/40/77/99/411407799.db2.gz YPKNIRNPKAOQBD-GWCFXTLKSA-N 1 0 224.348 1.681 10 0 BDAERO CCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056529 411408390 /nfs/dbraw/zinc/40/83/90/411408390.db2.gz LLOYAZRWIIAKNR-HTQZYQBOSA-N 1 0 238.253 1.301 10 0 BDAERO CNc1cccc([C@@H]2COCCC[NH2+]2)c1 ZINC000616648979 411411886 /nfs/dbraw/zinc/41/18/86/411411886.db2.gz YYGMSEYIZCJRSU-LBPRGKRZSA-N 1 0 206.289 1.779 10 0 BDAERO CC[C@H]1CN(c2ccnc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000122924060 411436337 /nfs/dbraw/zinc/43/63/37/411436337.db2.gz RSHYAHAEOHDNQR-QWRGUYRKSA-N 1 0 249.362 1.106 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000070533081 411440642 /nfs/dbraw/zinc/44/06/42/411440642.db2.gz AZMARVILIBBNKY-JOYOIKCWSA-N 1 0 218.300 1.326 10 0 BDAERO CC[C@@H](C)CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128901791 411442073 /nfs/dbraw/zinc/44/20/73/411442073.db2.gz IIWWEYYDYBWOEQ-GHMZBOCLSA-N 1 0 214.353 1.864 10 0 BDAERO CC(C)C[C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128905927 411442175 /nfs/dbraw/zinc/44/21/75/411442175.db2.gz ZDDDSJQUPCYNTA-GHMZBOCLSA-N 1 0 214.353 1.911 10 0 BDAERO CCN(Cc1ccccn1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000094914920 169920059 /nfs/dbraw/zinc/92/00/59/169920059.db2.gz JUYSSMKNDALTAP-CHWSQXEVSA-N 1 0 247.342 1.558 10 0 BDAERO CC[C@@H](O)C[NH2+][C@@H](C)COCc1ccccc1 ZINC000307287056 411469336 /nfs/dbraw/zinc/46/93/36/411469336.db2.gz SWTUMIWQIFQRRN-GXTWGEPZSA-N 1 0 237.343 1.952 10 0 BDAERO C[C@H](O)C[NH2+][C@@H](C)COCc1ccccc1 ZINC000307272911 411469443 /nfs/dbraw/zinc/46/94/43/411469443.db2.gz VADABKBLKMAHFL-RYUDHWBXSA-N 1 0 223.316 1.562 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2nc(C)c(C)[nH]2)c1 ZINC000657351904 411476213 /nfs/dbraw/zinc/47/62/13/411476213.db2.gz BJKUJPRJYDYCKU-UHFFFAOYSA-N 1 0 233.319 1.321 10 0 BDAERO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2CO)[nH]c1C ZINC000657369647 411483801 /nfs/dbraw/zinc/48/38/01/411483801.db2.gz AUSCJISYQYMKOV-RYUDHWBXSA-N 1 0 237.347 1.667 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000657378224 411487297 /nfs/dbraw/zinc/48/72/97/411487297.db2.gz IUZWYMSLORHAAA-JQWIXIFHSA-N 1 0 235.331 1.080 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000300359716 411489700 /nfs/dbraw/zinc/48/97/00/411489700.db2.gz QSTYUXDQZOUCRE-RHYQMDGZSA-N 1 0 224.348 1.666 10 0 BDAERO COc1cccnc1N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127496844 411492063 /nfs/dbraw/zinc/49/20/63/411492063.db2.gz MRSCMVSLXGKLCE-GHMZBOCLSA-N 1 0 235.331 1.654 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307961371 411492712 /nfs/dbraw/zinc/49/27/12/411492712.db2.gz XGDGZJOAKOXXDL-YUMQZZPRSA-N 1 0 243.269 1.296 10 0 BDAERO C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000309477030 411497723 /nfs/dbraw/zinc/49/77/23/411497723.db2.gz SFMRZLSZWBXUTH-CMPLNLGQSA-N 1 0 224.348 1.681 10 0 BDAERO CN(C[C@@H](O)C[NH3+])c1ccc(Cl)cc1 ZINC000005549713 411503924 /nfs/dbraw/zinc/50/39/24/411503924.db2.gz FQSOCXQGDRPDOR-JTQLQIEISA-N 1 0 214.696 1.096 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccccc2O)C[C@@H]1C[NH3+] ZINC000638892481 411513172 /nfs/dbraw/zinc/51/31/72/411513172.db2.gz JMTHNPPFVHFETP-ZJUUUORDSA-N 1 0 234.299 1.059 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2nsnc2Cl)C1 ZINC000037484464 170009276 /nfs/dbraw/zinc/00/92/76/170009276.db2.gz JDHSTGGLCXBYPM-ZETCQYMHSA-N 1 0 246.767 1.945 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2ccc(F)cn2)C1 ZINC000041045407 170016459 /nfs/dbraw/zinc/01/64/59/170016459.db2.gz PUWPHJJVXLKDFQ-SNVBAGLBSA-N 1 0 223.295 1.974 10 0 BDAERO CC[N@@H+]1CC[C@H](N=c2[nH]c3ccccc3o2)C1 ZINC000334578478 170018022 /nfs/dbraw/zinc/01/80/22/170018022.db2.gz JQFGAGHKFALWDX-JTQLQIEISA-N 1 0 231.299 1.756 10 0 BDAERO CC[N@@H+]1CCc2nc(Cl)nc(C)c2C1 ZINC000062202878 170025451 /nfs/dbraw/zinc/02/54/51/170025451.db2.gz PRHPOAOYQBORAI-UHFFFAOYSA-N 1 0 211.696 1.816 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000309653228 170029362 /nfs/dbraw/zinc/02/93/62/170029362.db2.gz OWTXMKSDLAHLNO-KOLCDFICSA-N 1 0 239.388 1.881 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000309453736 170029806 /nfs/dbraw/zinc/02/98/06/170029806.db2.gz LUDWGVCMXVPHFI-SKDRFNHKSA-N 1 0 239.388 1.881 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1Cl ZINC000657522620 411540685 /nfs/dbraw/zinc/54/06/85/411540685.db2.gz IPZTXSOJAIOWJQ-LLVKDONJSA-N 1 0 238.718 1.627 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000657523404 411541172 /nfs/dbraw/zinc/54/11/72/411541172.db2.gz RMHXQOOUQMAFBV-CQSZACIVSA-N 1 0 240.306 1.818 10 0 BDAERO CCNC(=O)CC[NH2+]CCc1ccccc1F ZINC000051758127 170053386 /nfs/dbraw/zinc/05/33/86/170053386.db2.gz RGLZYXISGBRFKT-UHFFFAOYSA-N 1 0 238.306 1.484 10 0 BDAERO CCNC(=O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000037262475 170064575 /nfs/dbraw/zinc/06/45/75/170064575.db2.gz DWTINPFQGUEODR-NSHDSACASA-N 1 0 220.316 1.782 10 0 BDAERO CCNC(=O)C[NH2+][C@H]1CCc2ccccc21 ZINC000035149855 170065452 /nfs/dbraw/zinc/06/54/52/170065452.db2.gz ZXGJYVXUYPKRQB-LBPRGKRZSA-N 1 0 218.300 1.400 10 0 BDAERO CCNC(=O)C[NH2+][C@H](CC)c1ccc(O)cc1 ZINC000036780342 170065854 /nfs/dbraw/zinc/06/58/54/170065854.db2.gz CCJLUSWUOUVNLH-GFCCVEGCSA-N 1 0 236.315 1.569 10 0 BDAERO CCNC(=O)COc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000034819157 170067527 /nfs/dbraw/zinc/06/75/27/170067527.db2.gz WBSKKHVRTSTLDW-SNVBAGLBSA-N 1 0 236.315 1.482 10 0 BDAERO CCNC(=O)COc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629459 170067549 /nfs/dbraw/zinc/06/75/49/170067549.db2.gz UMLAFZVOHGXKKE-JTQLQIEISA-N 1 0 236.315 1.530 10 0 BDAERO CCNC(=O)COc1ccccc1[C@H](C)[NH3+] ZINC000022218174 170068401 /nfs/dbraw/zinc/06/84/01/170068401.db2.gz UZEBEDGUWHVQDX-VIFPVBQESA-N 1 0 222.288 1.221 10 0 BDAERO CCNC(=O)C[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000057527685 170069815 /nfs/dbraw/zinc/06/98/15/170069815.db2.gz HJENVMQWSSDKJL-NSHDSACASA-N 1 0 236.315 1.264 10 0 BDAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000037264793 170078503 /nfs/dbraw/zinc/07/85/03/170078503.db2.gz QKONZTZURWJMLY-ZJUUUORDSA-N 1 0 243.351 1.245 10 0 BDAERO CCNC(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000036949272 170085125 /nfs/dbraw/zinc/08/51/25/170085125.db2.gz XAASSEWXCDUUNA-QMMMGPOBSA-N 1 0 207.277 1.848 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555853 170095971 /nfs/dbraw/zinc/09/59/71/170095971.db2.gz VXPVCSODUXJEGO-RYUDHWBXSA-N 1 0 243.395 1.077 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCCC[C@@H]1C ZINC000061278465 170106808 /nfs/dbraw/zinc/10/68/08/170106808.db2.gz TXHPGASQCWKOEX-JTQLQIEISA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(C)n1 ZINC000061288178 170106996 /nfs/dbraw/zinc/10/69/96/170106996.db2.gz QLGLEAXDSMGUPM-UHFFFAOYSA-N 1 0 221.304 1.717 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)NCCCOCC1CC1 ZINC000061289080 170107389 /nfs/dbraw/zinc/10/73/89/170107389.db2.gz YMNOITMQTUBFBT-UHFFFAOYSA-N 1 0 242.363 1.307 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104239085 170107444 /nfs/dbraw/zinc/10/74/44/170107444.db2.gz BCVFZSKYSBCBGH-TUAOUCFPSA-N 1 0 238.375 1.927 10 0 BDAERO CC[NH2+]C(C)(C)CN1C[C@H](C)O[C@@H](C)C1 ZINC000061299590 170107595 /nfs/dbraw/zinc/10/75/95/170107595.db2.gz HHYFVGXBPLVWJD-QWRGUYRKSA-N 1 0 214.353 1.484 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCO[C@H]2CCC[C@@H]21 ZINC000061299880 170107624 /nfs/dbraw/zinc/10/76/24/170107624.db2.gz SNCKHWCMTSHJEN-RYUDHWBXSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+]C(C)(C)c1nc(-c2cnccn2)no1 ZINC000061151402 170107959 /nfs/dbraw/zinc/10/79/59/170107959.db2.gz LORDXGMAHIXMGQ-UHFFFAOYSA-N 1 0 233.275 1.371 10 0 BDAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1cnn(C)c1 ZINC000054602033 170109440 /nfs/dbraw/zinc/10/94/40/170109440.db2.gz GKVINIXLJAQSRJ-YHWZYXNKSA-N 1 0 248.374 1.920 10 0 BDAERO CC[NH2+]CCC(=O)c1ccccc1OC ZINC000049813819 170111917 /nfs/dbraw/zinc/11/19/17/170111917.db2.gz OVWLZIXGYZEXKN-UHFFFAOYSA-N 1 0 207.273 1.878 10 0 BDAERO CC[NH2+]CCCNc1nc(C)cc(C)n1 ZINC000038043418 170112619 /nfs/dbraw/zinc/11/26/19/170112619.db2.gz IVNJTRFAYRJJLX-UHFFFAOYSA-N 1 0 208.309 1.505 10 0 BDAERO CC[NH2+]CCN1CCc2ccccc2C1 ZINC000034415338 170113409 /nfs/dbraw/zinc/11/34/09/170113409.db2.gz HWVLSIQKONDSQG-UHFFFAOYSA-N 1 0 204.317 1.654 10 0 BDAERO CC[NH2+]CCN(CC)Cc1cn2ccccc2n1 ZINC000042367517 170113820 /nfs/dbraw/zinc/11/38/20/170113820.db2.gz IAGHZULDBLLEHD-UHFFFAOYSA-N 1 0 246.358 1.766 10 0 BDAERO CC[NH2+]CC[C@H](O)c1cc(F)ccc1OC ZINC000049820801 170117167 /nfs/dbraw/zinc/11/71/67/170117167.db2.gz CVHOGSUXJUNULB-NSHDSACASA-N 1 0 227.279 1.867 10 0 BDAERO CC[NH2+]CCn1nc(C)c(Br)c1C ZINC000050593324 170117891 /nfs/dbraw/zinc/11/78/91/170117891.db2.gz JYODHGAFNKBRCT-UHFFFAOYSA-N 1 0 246.152 1.872 10 0 BDAERO CC[NH2+]CCc1nc2ccccc2n1CCO ZINC000051784349 170117945 /nfs/dbraw/zinc/11/79/45/170117945.db2.gz LEKJQKAIYCPOON-UHFFFAOYSA-N 1 0 233.315 1.181 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1ccc(CC)cc1 ZINC000071510631 170118739 /nfs/dbraw/zinc/11/87/39/170118739.db2.gz NJVIJUKGRFLIOK-ZDUSSCGKSA-N 1 0 207.317 1.762 10 0 BDAERO CC[NH2+]C[C@@H](C)N1CCOCC1(C)C ZINC000052546029 170119033 /nfs/dbraw/zinc/11/90/33/170119033.db2.gz WNLHCBQLPSWLAW-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000091351784 170119104 /nfs/dbraw/zinc/11/91/04/170119104.db2.gz VJRACYXJGFHJHI-MRVPVSSYSA-N 1 0 202.298 1.509 10 0 BDAERO CC[NH2+]C[C@@H](O)Cn1c(C)nc2ccccc21 ZINC000036950737 170119182 /nfs/dbraw/zinc/11/91/82/170119182.db2.gz HWLJEAWHJRCTMR-LLVKDONJSA-N 1 0 233.315 1.315 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1F ZINC000071519233 170119222 /nfs/dbraw/zinc/11/92/22/170119222.db2.gz FRGAEJOABXNYNA-JTQLQIEISA-N 1 0 215.243 1.478 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1C ZINC000036951139 170119521 /nfs/dbraw/zinc/11/95/21/170119521.db2.gz BQJRAKFIWOVELV-CYBMUJFWSA-N 1 0 237.343 1.961 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1cccc(OC)c1 ZINC000071511704 170119557 /nfs/dbraw/zinc/11/95/57/170119557.db2.gz OCFDTHYCDJHUHZ-NSHDSACASA-N 1 0 209.289 1.208 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2nccc(C)n2)C1 ZINC000061859966 170120248 /nfs/dbraw/zinc/12/02/48/170120248.db2.gz GJOXJPFCCNIYIW-LBPRGKRZSA-N 1 0 234.347 1.611 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc2c(c1)CCC2 ZINC000049813207 170120338 /nfs/dbraw/zinc/12/03/38/170120338.db2.gz HYYCRCCQKWJYMI-CYBMUJFWSA-N 1 0 205.301 1.818 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(Cc2ncccn2)C1 ZINC000054460381 170120509 /nfs/dbraw/zinc/12/05/09/170120509.db2.gz RKNNQYOEEDUAQW-LBPRGKRZSA-N 1 0 234.347 1.298 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1CCC(C)(C)CC1 ZINC000061821107 170121316 /nfs/dbraw/zinc/12/13/16/170121316.db2.gz NINPTBNKAPSKRN-NSHDSACASA-N 1 0 226.364 1.881 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccc(C)c(C)c1 ZINC000032014565 170121611 /nfs/dbraw/zinc/12/16/11/170121611.db2.gz HFEDXZRZYCUOKF-LBPRGKRZSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@H](C)N1CCOCC1(C)C ZINC000052546030 170121780 /nfs/dbraw/zinc/12/17/80/170121780.db2.gz WNLHCBQLPSWLAW-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1CCn1ccnc1 ZINC000104415993 170122507 /nfs/dbraw/zinc/12/25/07/170122507.db2.gz PEQQYFUSTCEJBC-CYBMUJFWSA-N 1 0 236.363 1.347 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000053696933 170122852 /nfs/dbraw/zinc/12/28/52/170122852.db2.gz CDXFJCJGAAGAEF-SNVBAGLBSA-N 1 0 206.293 1.055 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1ccc(CC)cc1 ZINC000071510632 170122894 /nfs/dbraw/zinc/12/28/94/170122894.db2.gz NJVIJUKGRFLIOK-CYBMUJFWSA-N 1 0 207.317 1.762 10 0 BDAERO CC[NH2+]Cc1c(OC)nc2sccn12 ZINC000035430462 170124211 /nfs/dbraw/zinc/12/42/11/170124211.db2.gz FPLXXHGWRJCACN-UHFFFAOYSA-N 1 0 211.290 1.514 10 0 BDAERO CC[NH2+]Cc1c(C)nn(C)c1N1CCCC1 ZINC000034823015 170124312 /nfs/dbraw/zinc/12/43/12/170124312.db2.gz UVWAHFHTLMBTSI-UHFFFAOYSA-N 1 0 222.336 1.438 10 0 BDAERO CC[NH2+]Cc1cc(C)nc(C[C@@H]2CCCO2)n1 ZINC000054831227 170124981 /nfs/dbraw/zinc/12/49/81/170124981.db2.gz AHFIVBPZOFYNTA-LBPRGKRZSA-N 1 0 235.331 1.616 10 0 BDAERO CC[NH2+]Cc1cc(Cn2nc(C)nc2C)c(C)o1 ZINC000052574499 170125029 /nfs/dbraw/zinc/12/50/29/170125029.db2.gz XAMXOQXWCXHLJQ-UHFFFAOYSA-N 1 0 248.330 1.954 10 0 BDAERO CC[NH2+]Cc1cc(C)c(OCCO)c(C)c1 ZINC000034656818 170125446 /nfs/dbraw/zinc/12/54/46/170125446.db2.gz JBJRUSICJJJZTH-UHFFFAOYSA-N 1 0 223.316 1.784 10 0 BDAERO CC[NH2+]Cc1ccnc(Br)c1 ZINC000072194570 170129314 /nfs/dbraw/zinc/12/93/14/170129314.db2.gz BZPXBKRCCXUABA-UHFFFAOYSA-N 1 0 215.094 1.954 10 0 BDAERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)COC)nn1 ZINC000051482937 170126201 /nfs/dbraw/zinc/12/62/01/170126201.db2.gz YTLXLANEMYJZHO-JTQLQIEISA-N 1 0 238.335 1.057 10 0 BDAERO CC[NH2+]Cc1ccccc1N1CCNC1=O ZINC000041054412 170129757 /nfs/dbraw/zinc/12/97/57/170129757.db2.gz XCQDPZZLCGJXFA-UHFFFAOYSA-N 1 0 219.288 1.326 10 0 BDAERO CC[NH2+]Cc1csc(N2CCCC2)n1 ZINC000062214897 170130146 /nfs/dbraw/zinc/13/01/46/170130146.db2.gz NEKOWNAVDNOIAQ-UHFFFAOYSA-N 1 0 211.334 1.853 10 0 BDAERO CC[NH2+]Cc1cnc(N2CCN(C)CC2)s1 ZINC000054900298 170130435 /nfs/dbraw/zinc/13/04/35/170130435.db2.gz RNJVTQYZMHEPRR-UHFFFAOYSA-N 1 0 240.376 1.004 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H](C)c1ccccc1C ZINC000054747898 170131717 /nfs/dbraw/zinc/13/17/17/170131717.db2.gz RWGAYKQMWSRQDR-NSHDSACASA-N 1 0 245.330 1.700 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H]1CCC[C@H](C)C1 ZINC000054745231 170131820 /nfs/dbraw/zinc/13/18/20/170131820.db2.gz FZXAHBXHSHNEOA-UWVGGRQHSA-N 1 0 223.324 1.534 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1ccc(OC(C)C)cc1 ZINC000037895053 170138336 /nfs/dbraw/zinc/13/83/36/170138336.db2.gz GSDSSCFFPYEOPD-GFCCVEGCSA-N 1 0 236.315 1.610 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000061268727 170139199 /nfs/dbraw/zinc/13/91/99/170139199.db2.gz AMBVKVYXJVTCSV-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCOC(C)(C)C1 ZINC000061269920 170139555 /nfs/dbraw/zinc/13/95/55/170139555.db2.gz JHEHBNKPJUHZAF-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+][C@@H]1CC2(OCCO2)c2ccccc21 ZINC000021988506 170149563 /nfs/dbraw/zinc/14/95/63/170149563.db2.gz YMGZWGROHGBBNX-GFCCVEGCSA-N 1 0 219.284 1.941 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@H]1n1nc(C)nc1C ZINC000044034475 170150161 /nfs/dbraw/zinc/15/01/61/170150161.db2.gz KEPUBYTWISAGIJ-VXGBXAGGSA-N 1 0 222.336 1.988 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCCC[C@@H]1C ZINC000061268688 170157045 /nfs/dbraw/zinc/15/70/45/170157045.db2.gz OZVYYRUGYYBGNU-MNOVXSKESA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccc(C)nc2)C1 ZINC000062053637 170151729 /nfs/dbraw/zinc/15/17/29/170151729.db2.gz NALMOPYXBZCVDD-CYBMUJFWSA-N 1 0 219.332 1.574 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cccc(OC)c2)C1=O ZINC000049648909 170152037 /nfs/dbraw/zinc/15/20/37/170152037.db2.gz SIKFZNGBJXGWOQ-CYBMUJFWSA-N 1 0 248.326 1.406 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccccc2C)C1=O ZINC000049648845 170152076 /nfs/dbraw/zinc/15/20/76/170152076.db2.gz KZQMXMWCOIEESE-CYBMUJFWSA-N 1 0 232.327 1.705 10 0 BDAERO CC[NH2+][C@@H]1CCN(C2CCCCCC2)C1=O ZINC000049648049 170152351 /nfs/dbraw/zinc/15/23/51/170152351.db2.gz JZFRBHMDWHZICW-GFCCVEGCSA-N 1 0 224.348 1.920 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@H]1N1CCCCCC1 ZINC000043812253 170152536 /nfs/dbraw/zinc/15/25/36/170152536.db2.gz XCRJYWOFRHHGNA-CHWSQXEVSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000049647997 170153014 /nfs/dbraw/zinc/15/30/14/170153014.db2.gz OQWHUFBGZSXZPJ-SNVBAGLBSA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(CC)cc2)C1=O ZINC000049647692 170153145 /nfs/dbraw/zinc/15/31/45/170153145.db2.gz JSYVYBIBNMDJTN-CYBMUJFWSA-N 1 0 232.327 1.964 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2cccnc2)C1=O ZINC000049648702 170153212 /nfs/dbraw/zinc/15/32/12/170153212.db2.gz KRVKHKDUARNPAL-CMPLNLGQSA-N 1 0 233.315 1.353 10 0 BDAERO CC[NH2+][C@H](C)CCc1nc(-c2cnccn2)no1 ZINC000104072810 170157028 /nfs/dbraw/zinc/15/70/28/170157028.db2.gz ZACUMKAXHNMVLY-SECBINFHSA-N 1 0 247.302 1.457 10 0 BDAERO CC[NH2+][C@H](C)c1cc(C)ccc1OCC(N)=O ZINC000035629745 170159416 /nfs/dbraw/zinc/15/94/16/170159416.db2.gz HPKNGPGIOWIFGL-SNVBAGLBSA-N 1 0 236.315 1.530 10 0 BDAERO CC[NH2+][C@H](CCO)C1CN(Cc2ccccc2)C1 ZINC000095091413 170161335 /nfs/dbraw/zinc/16/13/35/170161335.db2.gz XGIOTCZSTBASQF-OAHLLOKOSA-N 1 0 248.370 1.479 10 0 BDAERO CC[NH2+][C@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524185 170161546 /nfs/dbraw/zinc/16/15/46/170161546.db2.gz CUJNUHJRKLWHEB-NWDGAFQWSA-N 1 0 244.379 1.806 10 0 BDAERO CC[NH2+][C@H](CO)c1cc(C)c(O)c(C)c1 ZINC000038120427 170162273 /nfs/dbraw/zinc/16/22/73/170162273.db2.gz CWXLWXNBAGRSRK-LLVKDONJSA-N 1 0 209.289 1.652 10 0 BDAERO CC[NH2+][C@H](CO)c1cc(OC)c(C)cc1OC ZINC000071549497 170162556 /nfs/dbraw/zinc/16/25/56/170162556.db2.gz KFIPDRFRRAXCRD-LLVKDONJSA-N 1 0 239.315 1.655 10 0 BDAERO CC[NH2+][C@H]([C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000043300872 170163130 /nfs/dbraw/zinc/16/31/30/170163130.db2.gz OONNVIRKLWZWNL-VHSXEESVSA-N 1 0 233.377 1.445 10 0 BDAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccncc1 ZINC000035555697 170165139 /nfs/dbraw/zinc/16/51/39/170165139.db2.gz GWSASQRBWBXJFG-GFCCVEGCSA-N 1 0 216.288 1.514 10 0 BDAERO CC[NH2+][C@H]1CCC[C@@H]1CN1CCOC(C)(C)C1 ZINC000053868237 170167300 /nfs/dbraw/zinc/16/73/00/170167300.db2.gz WPHGTBHOSBYXEQ-OLZOCXBDSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000049647684 170167481 /nfs/dbraw/zinc/16/74/81/170167481.db2.gz PZMNWXNEULHSSL-NSHDSACASA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccc(C)o2)C1=O ZINC000049649223 170167591 /nfs/dbraw/zinc/16/75/91/170167591.db2.gz VDMCPYQMNJUXCE-QWRGUYRKSA-N 1 0 236.315 1.859 10 0 BDAERO CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000660148189 411546109 /nfs/dbraw/zinc/54/61/09/411546109.db2.gz MYFYVIPEDGYCCH-BBBLOLIVSA-N 1 0 237.290 1.095 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cccc(OC)c2)C1=O ZINC000049648910 170167868 /nfs/dbraw/zinc/16/78/68/170167868.db2.gz SIKFZNGBJXGWOQ-ZDUSSCGKSA-N 1 0 248.326 1.406 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@H]1n1nc(C)cc1C ZINC000043994740 170168448 /nfs/dbraw/zinc/16/84/48/170168448.db2.gz FGMGPSGEDORDFY-NWDGAFQWSA-N 1 0 223.320 1.439 10 0 BDAERO CC[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000095091524 170169137 /nfs/dbraw/zinc/16/91/37/170169137.db2.gz FIMFRDJROGUFBE-CABCVRRESA-N 1 0 248.370 1.479 10 0 BDAERO CCN[C@H]1c2cccc(F)c2S(=O)(=O)[C@@H]1C ZINC000043636549 170169675 /nfs/dbraw/zinc/16/96/75/170169675.db2.gz MMJABFWJTZIBJH-GMSGAONNSA-N 1 0 243.303 1.652 10 0 BDAERO CC[NH2+][C@](C)(CCCCOC1CCC1)C(N)=O ZINC000050521742 170170505 /nfs/dbraw/zinc/17/05/05/170170505.db2.gz HSRDMNFCBWAHQO-CYBMUJFWSA-N 1 0 242.363 1.579 10 0 BDAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(C)c(C)c1 ZINC000037447689 170170673 /nfs/dbraw/zinc/17/06/73/170170673.db2.gz VLUVIVLGKKCCRO-ZDUSSCGKSA-N 1 0 220.316 1.613 10 0 BDAERO CCNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000040509949 170176419 /nfs/dbraw/zinc/17/64/19/170176419.db2.gz RTAGVAGMUOYQML-UHFFFAOYSA-N 1 0 209.318 1.764 10 0 BDAERO CCOC(=O)CCCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000348152000 170199385 /nfs/dbraw/zinc/19/93/85/170199385.db2.gz OJVYVLOGOWSMBV-GHMZBOCLSA-N 1 0 229.320 1.487 10 0 BDAERO CCOC(=O)COc1cccc(C[C@H](C)[NH3+])c1 ZINC000037726527 170229339 /nfs/dbraw/zinc/22/93/39/170229339.db2.gz XRTRYKPZBQGBSB-JTQLQIEISA-N 1 0 237.299 1.518 10 0 BDAERO CCOC(=O)C[C@@H](Cc1ccccc1)[NH2+]C ZINC000074485364 170231387 /nfs/dbraw/zinc/23/13/87/170231387.db2.gz FHASYLFULHDNMS-GFCCVEGCSA-N 1 0 221.300 1.770 10 0 BDAERO CCOC(=O)Cn1c(CC)[nH+]c2cc(N)ccc21 ZINC000052853016 170236636 /nfs/dbraw/zinc/23/66/36/170236636.db2.gz KLUPHQTZKIXGHY-UHFFFAOYSA-N 1 0 247.298 1.744 10 0 BDAERO CCOC(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000019843880 170237680 /nfs/dbraw/zinc/23/76/80/170237680.db2.gz VNBALPZCGGENNJ-SNVBAGLBSA-N 1 0 214.309 1.607 10 0 BDAERO CCOC(=O)N(CC)C1CC[NH2+]CC1 ZINC000037469464 170237788 /nfs/dbraw/zinc/23/77/88/170237788.db2.gz ODDKXTUJLGJNSF-UHFFFAOYSA-N 1 0 200.282 1.217 10 0 BDAERO CCOC(=O)N(CC[NH3+])C1CCCC1 ZINC000070621479 170238431 /nfs/dbraw/zinc/23/84/31/170238431.db2.gz YYCYVSCNYYQNMQ-UHFFFAOYSA-N 1 0 200.282 1.346 10 0 BDAERO CCOC(=O)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037350 170242770 /nfs/dbraw/zinc/24/27/70/170242770.db2.gz HIGWAIOCWGYROK-BDAKNGLRSA-N 1 0 200.282 1.121 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1ccc(C)cc1 ZINC000019421782 170243289 /nfs/dbraw/zinc/24/32/89/170243289.db2.gz WADURNAEDNJYRX-LLVKDONJSA-N 1 0 222.288 1.741 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000019414880 170243421 /nfs/dbraw/zinc/24/34/21/170243421.db2.gz LBBUWUBXSJKTIR-SNVBAGLBSA-N 1 0 244.241 1.711 10 0 BDAERO CCOC(=O)[C@@H](C)C[NH2+]Cc1ccc(C)nc1 ZINC000062052996 170245977 /nfs/dbraw/zinc/24/59/77/170245977.db2.gz HKGFQCJTIQYYEW-JTQLQIEISA-N 1 0 236.315 1.679 10 0 BDAERO CCOC(=O)[C@@H]1CC2(C[NH2+]1)CCCCC2 ZINC000148834117 170257090 /nfs/dbraw/zinc/25/70/90/170257090.db2.gz JHSUKCYURQTSJI-JTQLQIEISA-N 1 0 211.305 1.862 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]1(C)c1ccccc1 ZINC000096032684 170259101 /nfs/dbraw/zinc/25/91/01/170259101.db2.gz ZZDBUIZTYKSKSH-JSGCOSHPSA-N 1 0 233.311 1.727 10 0 BDAERO CCOC(=O)[C@@](C)(C1CC1)N1CCC[NH2+]CC1 ZINC000037959550 170260614 /nfs/dbraw/zinc/26/06/14/170260614.db2.gz JXTACEFXVLMNOU-CYBMUJFWSA-N 1 0 240.347 1.014 10 0 BDAERO CCOC(=O)[C@H]1CC[C@@H]([NH3+])c2occc21 ZINC000091305139 170280402 /nfs/dbraw/zinc/28/04/02/170280402.db2.gz IZUBBZMSOLADMA-DTWKUNHWSA-N 1 0 209.245 1.720 10 0 BDAERO CCOC(=O)c1cc2c(nc1Cl)CC[NH2+]C2 ZINC000034516169 170294188 /nfs/dbraw/zinc/29/41/88/170294188.db2.gz BBPDTXPMIRBYFZ-UHFFFAOYSA-N 1 0 240.690 1.557 10 0 BDAERO CCOC(=O)c1cccc(C2([NH3+])CC2)c1 ZINC000098091095 170298481 /nfs/dbraw/zinc/29/84/81/170298481.db2.gz BGWGOMAAPCMRDW-UHFFFAOYSA-N 1 0 205.257 1.811 10 0 BDAERO CCOC(=O)c1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000040855390 170298689 /nfs/dbraw/zinc/29/86/89/170298689.db2.gz AOFBSDRSOOCRAF-MRVPVSSYSA-N 1 0 236.271 1.149 10 0 BDAERO CCOC(=O)c1ccccc1NC(=O)[C@@H](C)[NH3+] ZINC000040831962 170299732 /nfs/dbraw/zinc/29/97/32/170299732.db2.gz YYCARHWVPZHNAZ-MRVPVSSYSA-N 1 0 236.271 1.149 10 0 BDAERO CCOC(=O)c1cccnc1N[C@H](C)CC[NH3+] ZINC000310175884 170300328 /nfs/dbraw/zinc/30/03/28/170300328.db2.gz VCJZMYXDYHWILH-SECBINFHSA-N 1 0 237.303 1.408 10 0 BDAERO CCOC(=O)c1nc(CC[NH+](CC)CC)no1 ZINC000103963369 170307157 /nfs/dbraw/zinc/30/71/57/170307157.db2.gz KBZQJQUWGPMWAQ-UHFFFAOYSA-N 1 0 241.291 1.131 10 0 BDAERO CCOC1(OCC)[C@@H]([NH3+])CCCCN1C ZINC000039100251 170319917 /nfs/dbraw/zinc/31/99/17/170319917.db2.gz VHEGWYZKKLKSOE-JTQLQIEISA-N 1 0 216.325 1.156 10 0 BDAERO CCOC1CCN(C(=O)C(C)(C)[NH2+]C)CC1 ZINC000061318251 170331975 /nfs/dbraw/zinc/33/19/75/170331975.db2.gz GVFNGGKIMAWYEE-UHFFFAOYSA-N 1 0 228.336 1.012 10 0 BDAERO CCOC1CCN([C@@H](C)C[NH2+]CCOC)CC1 ZINC000053494119 170332834 /nfs/dbraw/zinc/33/28/34/170332834.db2.gz LFCCBQXVSRVHQF-LBPRGKRZSA-N 1 0 244.379 1.112 10 0 BDAERO CCOCC(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063138301 170340816 /nfs/dbraw/zinc/34/08/16/170340816.db2.gz PLWHMNIUHITEES-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO CCOCCC(=O)N[C@@H]1c2ccccc2C[C@H]1[NH3+] ZINC000104308248 170362019 /nfs/dbraw/zinc/36/20/19/170362019.db2.gz XXFBZFFJOFSBFN-TZMCWYRMSA-N 1 0 248.326 1.154 10 0 BDAERO CCOCCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C ZINC000083085235 170375314 /nfs/dbraw/zinc/37/53/14/170375314.db2.gz ZXFFFVWIXPOJNU-QWHCGFSZSA-N 1 0 228.380 1.731 10 0 BDAERO CCOCCCn1cnnc1[C@H]1CCC[NH2+]1 ZINC000098124954 170385374 /nfs/dbraw/zinc/38/53/74/170385374.db2.gz UJSOTERTXXAHII-SNVBAGLBSA-N 1 0 224.308 1.129 10 0 BDAERO CCOCCCn1c(CC[NH3+])nc2ccccc21 ZINC000040163795 170385689 /nfs/dbraw/zinc/38/56/89/170385689.db2.gz WMYLCINSRTWKSX-UHFFFAOYSA-N 1 0 247.342 1.964 10 0 BDAERO CCOCCN(CC)C(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000104195604 170393798 /nfs/dbraw/zinc/39/37/98/170393798.db2.gz MPZKBGIWSABZDT-NWDGAFQWSA-N 1 0 242.363 1.402 10 0 BDAERO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000657693399 411580033 /nfs/dbraw/zinc/58/00/33/411580033.db2.gz BOHXUPLGRCKRAO-LBPRGKRZSA-N 1 0 248.326 1.263 10 0 BDAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c(C)c1 ZINC000657693982 411580167 /nfs/dbraw/zinc/58/01/67/411580167.db2.gz HZDNGNWXTKIECY-ZDUSSCGKSA-N 1 0 246.354 1.871 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C2CC(CO)C2)CS1 ZINC000657811656 411603472 /nfs/dbraw/zinc/60/34/72/411603472.db2.gz VKQURYZJRAFURN-BZCXBAJXSA-N 1 0 215.362 1.631 10 0 BDAERO CCOc1cccc(C[NH2+]C2CC(CO)C2)c1 ZINC000657813435 411603823 /nfs/dbraw/zinc/60/38/23/411603823.db2.gz YBBUPTMEMDQUEJ-UHFFFAOYSA-N 1 0 235.327 1.946 10 0 BDAERO Cn1c(C[NH2+]C2CC(CO)C2)nc2ccccc21 ZINC000657813379 411603832 /nfs/dbraw/zinc/60/38/32/411603832.db2.gz VFICQQKORRMXOQ-UHFFFAOYSA-N 1 0 245.326 1.434 10 0 BDAERO CCN1CC[C@H]([NH2+]C2(C(C)C)CC2)C1=O ZINC000660639297 411611419 /nfs/dbraw/zinc/61/14/19/411611419.db2.gz IRNXGFCYNHPRLB-JTQLQIEISA-N 1 0 210.321 1.385 10 0 BDAERO CCO[C@@H]1CCCN(C(=O)C(C)(C)[NH2+]C)C1 ZINC000061318925 170479373 /nfs/dbraw/zinc/47/93/73/170479373.db2.gz WZJNZUQJKCDHAW-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO CCOc1ccc(C2(O)CC[NH2+]CC2)cc1 ZINC000041237688 170540453 /nfs/dbraw/zinc/54/04/53/170540453.db2.gz AFSVSQWGIQOBQO-UHFFFAOYSA-N 1 0 221.300 1.656 10 0 BDAERO CCOc1ccc(COCC[NH3+])cc1C ZINC000077303452 170547156 /nfs/dbraw/zinc/54/71/56/170547156.db2.gz DBBGOQYCQGZTKY-UHFFFAOYSA-N 1 0 209.289 1.869 10 0 BDAERO CCOc1ccc(C[C@H](O)CC[NH3+])cc1 ZINC000041218597 170547812 /nfs/dbraw/zinc/54/78/12/170547812.db2.gz QLTJQKXYSFZBRL-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO CCOc1ccc(OC[C@H](O)C[NH2+]C)cc1 ZINC000019864553 170557140 /nfs/dbraw/zinc/55/71/40/170557140.db2.gz UVUZLOAZLJLKQI-SNVBAGLBSA-N 1 0 225.288 1.044 10 0 BDAERO CCOc1ccc([C@@H]2OC[C@H](C[NH3+])O2)cc1 ZINC000049819204 170561712 /nfs/dbraw/zinc/56/17/12/170561712.db2.gz IFOLMTCZCZDHLQ-NWDGAFQWSA-N 1 0 223.272 1.458 10 0 BDAERO CCOc1cccc(CC[C@H]([NH3+])CO)c1 ZINC000071511677 170575081 /nfs/dbraw/zinc/57/50/81/170575081.db2.gz WQYRPSSYWFRMPT-NSHDSACASA-N 1 0 209.289 1.338 10 0 BDAERO CCOc1ccccc1OCCOCCC[NH3+] ZINC000074527319 170596433 /nfs/dbraw/zinc/59/64/33/170596433.db2.gz JZPMFVGWVUFNDX-UHFFFAOYSA-N 1 0 239.315 1.830 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616651864 411865302 /nfs/dbraw/zinc/86/53/02/411865302.db2.gz AVRMXWCHMJEAHZ-SNVBAGLBSA-N 1 0 222.336 1.970 10 0 BDAERO CC[C@@H](C)NC(=O)Cc1csc(CC[NH3+])n1 ZINC000019672723 170741283 /nfs/dbraw/zinc/74/12/83/170741283.db2.gz YTPNWHOXEJWSGG-MRVPVSSYSA-N 1 0 241.360 1.102 10 0 BDAERO CC[C@@H](C)NC(=O)c1cccc(OCC[NH3+])c1 ZINC000020228567 170748580 /nfs/dbraw/zinc/74/85/80/170748580.db2.gz CGPIPVALNOYFHH-SNVBAGLBSA-N 1 0 236.315 1.552 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@H](c2c[nH]nc2N)C1 ZINC000616618555 411861661 /nfs/dbraw/zinc/86/16/61/411861661.db2.gz ZQIZCOZKYLMSKM-VIFPVBQESA-N 1 0 222.336 1.970 10 0 BDAERO CCOC(=O)N1CCC(c2ccnc(N)c2)CC1 ZINC000616619679 411862270 /nfs/dbraw/zinc/86/22/70/411862270.db2.gz UZUJPNZMVMRRSV-UHFFFAOYSA-N 1 0 249.314 2.000 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccn1 ZINC000035694956 170776937 /nfs/dbraw/zinc/77/69/37/170776937.db2.gz LPOIXLDEHRRQRW-JFGNBEQYSA-N 1 0 235.331 1.632 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2ccnc(N)c2)CC1 ZINC000616593116 411895208 /nfs/dbraw/zinc/89/52/08/411895208.db2.gz IAEPEBVZAIQQQZ-SNVBAGLBSA-N 1 0 207.277 1.057 10 0 BDAERO CC[C@@H](C[NH3+])[C@H](O)c1ccccc1OC ZINC000082376066 170822203 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/nfs/dbraw/zinc/86/78/34/170867834.db2.gz LMJRGFKTQPPFFM-LDYMZIIASA-N 1 0 209.245 1.186 10 0 BDAERO CC[C@@H]([NH3+])c1noc(-c2cccnc2)n1 ZINC000041052432 170873860 /nfs/dbraw/zinc/87/38/60/170873860.db2.gz XWFBFWRQSYTXGZ-MRVPVSSYSA-N 1 0 204.233 1.541 10 0 BDAERO CC[C@@H](Oc1cccc2c1CC[C@@H]2[NH2+]C)C(N)=O ZINC000062799133 170946666 /nfs/dbraw/zinc/94/66/66/170946666.db2.gz JWRVWLZLTCAYLO-NWDGAFQWSA-N 1 0 248.326 1.536 10 0 BDAERO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCOC ZINC000049278436 170971106 /nfs/dbraw/zinc/97/11/06/170971106.db2.gz PTVZBCNLTASOFM-VXGBXAGGSA-N 1 0 242.363 1.307 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000034606511 171026512 /nfs/dbraw/zinc/02/65/12/171026512.db2.gz MPTWTCBZSJENGB-NXEZZACHSA-N 1 0 228.336 1.899 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336726737 171045697 /nfs/dbraw/zinc/04/56/97/171045697.db2.gz GZFQHJCJWXLICV-ZDCRXTMVSA-N 1 0 210.321 1.432 10 0 BDAERO CC[C@@H]1CC[C@H](O)[C@H](C[NH+]2CCC(O)CC2)C1 ZINC000053881539 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171103243 /nfs/dbraw/zinc/10/32/43/171103243.db2.gz WVLBDYHGVDWPLJ-DGCLKSJQSA-N 1 0 219.332 1.654 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1nncs1 ZINC000083347104 171103484 /nfs/dbraw/zinc/10/34/84/171103484.db2.gz RHOSQZIBWVUUBH-HTQZYQBOSA-N 1 0 212.322 1.115 10 0 BDAERO CC[C@@H]1COCCN1CC1([NH3+])CCCCC1 ZINC000036326930 171105480 /nfs/dbraw/zinc/10/54/80/171105480.db2.gz HQEPGGIWCCOSTF-GFCCVEGCSA-N 1 0 226.364 1.759 10 0 BDAERO CC[C@@H]1COCCN1Cc1cc(C[NH3+])co1 ZINC000052481551 171105692 /nfs/dbraw/zinc/10/56/92/171105692.db2.gz QPONXSRDXAYUEG-LLVKDONJSA-N 1 0 224.304 1.349 10 0 BDAERO CC[C@@H]1COCCN1Cc1ccc(C[NH3+])o1 ZINC000052481473 171106444 /nfs/dbraw/zinc/10/64/44/171106444.db2.gz MAPZJZOKFMRTJN-SNVBAGLBSA-N 1 0 224.304 1.349 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)C(C)(C)[NH2+]C ZINC000061300502 171108749 /nfs/dbraw/zinc/10/87/49/171108749.db2.gz DJPGLGPWHCQYIB-VHSXEESVSA-N 1 0 228.336 1.010 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000036135025 171112189 /nfs/dbraw/zinc/11/21/89/171112189.db2.gz JCZOTWNFTYNUNT-UTUOFQBUSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@@H]1[C@@H]([NH3+])CCN1Cc1ccccc1 ZINC000082380080 171158055 /nfs/dbraw/zinc/15/80/55/171158055.db2.gz WOULTZNLOCKBHN-QWHCGFSZSA-N 1 0 204.317 1.998 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361426255 171178611 /nfs/dbraw/zinc/17/86/11/171178611.db2.gz MRILVRSJAVKVGE-NXEZZACHSA-N 1 0 237.290 1.097 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000123569785 171178728 /nfs/dbraw/zinc/17/87/28/171178728.db2.gz WQNKWMRQLAPMJR-NWDGAFQWSA-N 1 0 238.335 1.076 10 0 BDAERO CC[C@@](O)(C[NH3+])c1ccc(OC)cc1OC ZINC000036161681 171194645 /nfs/dbraw/zinc/19/46/45/171194645.db2.gz ZIEXHHCQTLTRHS-GFCCVEGCSA-N 1 0 225.288 1.260 10 0 BDAERO CC[C@@]1(C(=O)N(C)[C@H](C)COC)CCC[NH2+]C1 ZINC000062857283 171195178 /nfs/dbraw/zinc/19/51/78/171195178.db2.gz FGUDTYXYTIYJOA-DGCLKSJQSA-N 1 0 242.363 1.260 10 0 BDAERO CC[C@@]1(C(=O)NCc2ccco2)CCC[NH2+]C1 ZINC000062851694 171195557 /nfs/dbraw/zinc/19/55/57/171195557.db2.gz QVTNYJXPAQQOQE-CYBMUJFWSA-N 1 0 236.315 1.676 10 0 BDAERO CC[C@@]1(c2nc3cccnc3n2C)CCC[NH2+]C1 ZINC000104304423 171218301 /nfs/dbraw/zinc/21/83/01/171218301.db2.gz OKRRKZBVXYKEEK-CQSZACIVSA-N 1 0 244.342 2.000 10 0 BDAERO CC[C@H](C)C(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000019438730 171251196 /nfs/dbraw/zinc/25/11/96/171251196.db2.gz ZEUNWEYTYCQELH-WDEREUQCSA-N 1 0 212.337 1.681 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N(CCOC)[C@@H](C)CC ZINC000042591016 171315358 /nfs/dbraw/zinc/31/53/58/171315358.db2.gz UKWHHQUYFFDLTQ-WOPDTQHZSA-N 1 0 244.379 1.633 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)[C@](C)([NH3+])C1CC1 ZINC000042591225 171315605 /nfs/dbraw/zinc/31/56/05/171315605.db2.gz UCWKVANIXNCZQE-GXFFZTMASA-N 1 0 242.363 1.387 10 0 BDAERO CC[C@H](C)NC(=O)CNCC(C)(C)C[NH+](C)C ZINC000020043059 171326541 /nfs/dbraw/zinc/32/65/41/171326541.db2.gz FDMPOBXAWBRLET-NSHDSACASA-N 1 0 243.395 1.079 10 0 BDAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1cccnc1 ZINC000076618156 171327001 /nfs/dbraw/zinc/32/70/01/171327001.db2.gz DPXXZNMUTXRNRA-JQWIXIFHSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H](C)[NH2+]C1(C(N)=O)CCSCC1 ZINC000041048811 171339152 /nfs/dbraw/zinc/33/91/52/171339152.db2.gz HSZPUFVJEBESJB-QMMMGPOBSA-N 1 0 216.350 1.126 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc2c[nH]nc2c1 ZINC000037617680 171339403 /nfs/dbraw/zinc/33/94/03/171339403.db2.gz ZZFQZPMMMGXGGG-VIFPVBQESA-N 1 0 246.314 1.890 10 0 BDAERO CC[C@H](C)[NH2+]CCN1CC[NH+](CC)CC1 ZINC000037479912 171340102 /nfs/dbraw/zinc/34/01/02/171340102.db2.gz NXMQSDLREVQJMJ-LBPRGKRZSA-N 1 0 213.369 1.012 10 0 BDAERO CC[C@H](C)[NH2+]C[C@@H](O)c1ccc(N)cc1 ZINC000002003346 171341095 /nfs/dbraw/zinc/34/10/95/171341095.db2.gz UWYLQWLJGMLJQF-JOYOIKCWSA-N 1 0 208.305 1.690 10 0 in-man BDAERO CC[C@H](C)[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000020036675 171341893 /nfs/dbraw/zinc/34/18/93/171341893.db2.gz INDBMFBUQFFNIK-QMMMGPOBSA-N 1 0 224.279 1.813 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCCCCO ZINC000183045618 171371095 /nfs/dbraw/zinc/37/10/95/171371095.db2.gz UIXMBWAOYBBKTE-WDEREUQCSA-N 1 0 230.352 1.029 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842827 171372801 /nfs/dbraw/zinc/37/28/01/171372801.db2.gz CPWHBELVOUAXNL-WRWORJQWSA-N 1 0 219.288 1.902 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCCCCCCO ZINC000083357621 171393908 /nfs/dbraw/zinc/39/39/08/171393908.db2.gz UIXMBWAOYBBKTE-QWRGUYRKSA-N 1 0 230.352 1.029 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1C(N)=O ZINC000011960027 171396854 /nfs/dbraw/zinc/39/68/54/171396854.db2.gz YNDVMYWBTBQRCQ-KWQFWETISA-N 1 0 249.314 1.097 10 0 BDAERO CC[C@H](CCO)C[NH2+]Cc1cnn(C)c1C ZINC000087363106 171425514 /nfs/dbraw/zinc/42/55/14/171425514.db2.gz KBRUONJNRZTTKT-LLVKDONJSA-N 1 0 225.336 1.227 10 0 BDAERO CC[C@H](CN1C(=O)CC(C)(C)CC1=O)[NH2+]C ZINC000061828142 171431036 /nfs/dbraw/zinc/43/10/36/171431036.db2.gz UPMWQQWJNMZDAD-SECBINFHSA-N 1 0 226.320 1.160 10 0 BDAERO CC[C@H](C[NH3+])NC(=O)Cc1cc(C)ccc1C ZINC000104304885 171431214 /nfs/dbraw/zinc/43/12/14/171431214.db2.gz BMUPAGJDZZJWPF-CYBMUJFWSA-N 1 0 234.343 1.699 10 0 BDAERO CC[C@H](C[NH3+])n1cc(Br)cn1 ZINC000049833950 171431239 /nfs/dbraw/zinc/43/12/39/171431239.db2.gz QZEVNCZJYVPMQF-SSDOTTSWSA-N 1 0 218.098 1.555 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336655323 171453271 /nfs/dbraw/zinc/45/32/71/171453271.db2.gz NNWJUWZBADHPFX-HBNTYKKESA-N 1 0 203.301 1.875 10 0 BDAERO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cscn1 ZINC000665240773 412182769 /nfs/dbraw/zinc/18/27/69/412182769.db2.gz SCYXJLMADQPVLM-NXEZZACHSA-N 1 0 225.361 1.936 10 0 BDAERO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1cscn1 ZINC000665240775 412183396 /nfs/dbraw/zinc/18/33/96/412183396.db2.gz SCYXJLMADQPVLM-VHSXEESVSA-N 1 0 225.361 1.936 10 0 BDAERO CC[C@H]([NH3+])Cc1noc(-c2scnc2C)n1 ZINC000054184589 171486224 /nfs/dbraw/zinc/48/62/24/171486224.db2.gz GHWVARDBPDKSQS-ZETCQYMHSA-N 1 0 238.316 1.781 10 0 BDAERO CC[C@H]([NH3+])[C@@H](c1ccccc1OC)N(C)OC ZINC000043097715 171488592 /nfs/dbraw/zinc/48/85/92/171488592.db2.gz FFWOUBZLSJQEPC-WCQYABFASA-N 1 0 238.331 1.967 10 0 BDAERO COCc1csc(CN[C@H]2CC[NH2+]C2)c1 ZINC000665263636 412207740 /nfs/dbraw/zinc/20/77/40/412207740.db2.gz QSVFOXAUTKJCSC-JTQLQIEISA-N 1 0 226.345 1.346 10 0 BDAERO CC[C@H]([NH2+]CCN1CCOCC1)c1ccco1 ZINC000054082918 171521430 /nfs/dbraw/zinc/52/14/30/171521430.db2.gz OHETZMSNYAUQSI-LBPRGKRZSA-N 1 0 238.331 1.653 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(C)C ZINC000085789972 171526068 /nfs/dbraw/zinc/52/60/68/171526068.db2.gz NRGKECVPMPDBCE-NEPJUHHUSA-N 1 0 214.353 1.341 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)C1CCC2(CC2)CC1 ZINC000662407534 412152921 /nfs/dbraw/zinc/15/29/21/412152921.db2.gz AQYPCMMEMYJISH-SNVBAGLBSA-N 1 0 224.348 1.810 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000037187894 171541859 /nfs/dbraw/zinc/54/18/59/171541859.db2.gz VKEQMURACDGJJC-ZJUUUORDSA-N 1 0 219.350 1.198 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)C1CC1 ZINC000336733014 171547787 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FPWPUCYKBCJGFG-MRVPVSSYSA-N 1 0 226.711 1.494 10 0 BDAERO C[N@@H+]1CC[C@H](CNCc2ccccn2)C1 ZINC000037484732 173147784 /nfs/dbraw/zinc/14/77/84/173147784.db2.gz RUEJIICDVRSOHE-LLVKDONJSA-N 1 0 205.305 1.123 10 0 BDAERO CN1CC[C@H]([NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000069798787 173148969 /nfs/dbraw/zinc/14/89/69/173148969.db2.gz SSVHXBQGSQFNJU-QWRGUYRKSA-N 1 0 212.243 1.669 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc3c(c2)NC(=O)CO3)C1 ZINC000061984747 173154020 /nfs/dbraw/zinc/15/40/20/173154020.db2.gz RZXQWPQUFIPIQQ-JTQLQIEISA-N 1 0 247.298 1.134 10 0 BDAERO CN(C)c1ncccc1N[C@H]1CC[N@H+](C)C1 ZINC000061985873 173155645 /nfs/dbraw/zinc/15/56/45/173155645.db2.gz ISQHIBYHUIDEPS-JTQLQIEISA-N 1 0 220.320 1.264 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2cccnc2Cl)C1 ZINC000061985442 173156147 /nfs/dbraw/zinc/15/61/47/173156147.db2.gz WVQUIIIBOSGKMG-QMMMGPOBSA-N 1 0 211.696 1.851 10 0 BDAERO C[N@@H+]1CC[C@H](n2c(N)cc3ccccc3c2=O)C1 ZINC000042548804 173158308 /nfs/dbraw/zinc/15/83/08/173158308.db2.gz ITJRTEZUFXEFFF-NSHDSACASA-N 1 0 243.310 1.460 10 0 BDAERO C[N@@H+]1CC[C@H]1COc1ccc(Cl)nc1 ZINC000013777659 173159034 /nfs/dbraw/zinc/15/90/34/173159034.db2.gz XWJYFOCRQNJGJO-QMMMGPOBSA-N 1 0 212.680 1.818 10 0 BDAERO C[N@@H+]1CC[C@]2(CCCN2c2ccns2)C1 ZINC000038917841 173164632 /nfs/dbraw/zinc/16/46/32/173164632.db2.gz LAGAOLCCTSMPJM-LLVKDONJSA-N 1 0 223.345 1.818 10 0 BDAERO CN1CCc2cc(C[C@H]3CC[NH2+]C3)ccc21 ZINC000070627700 173170143 /nfs/dbraw/zinc/17/01/43/173170143.db2.gz UXFWNMRJEIOTKH-GFCCVEGCSA-N 1 0 216.328 1.831 10 0 BDAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1cn[nH]c1)C2 ZINC000038005559 173207238 /nfs/dbraw/zinc/20/72/38/173207238.db2.gz HSXXGNMUEFRIPB-YOGCLGLASA-N 1 0 220.320 1.125 10 0 BDAERO CNC(=[NH2+])N(C)Cc1cccc(Cl)c1 ZINC000052018759 173209311 /nfs/dbraw/zinc/20/93/11/173209311.db2.gz FFLJEBVVXLBXTP-UHFFFAOYSA-N 1 0 211.696 1.926 10 0 BDAERO CNC(=O)CC[NH2+][C@H]1CCCc2sccc21 ZINC000061329187 173259847 /nfs/dbraw/zinc/25/98/47/173259847.db2.gz PTCDRNCNXQHVRA-JTQLQIEISA-N 1 0 238.356 1.851 10 0 BDAERO CNC(=O)CN(C)[C@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043034706 173271523 /nfs/dbraw/zinc/27/15/23/173271523.db2.gz XQNPWMYATUEBEW-FZMZJTMJSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)C[NH2+][C@H]1CCSc2ccccc21 ZINC000037207898 173278679 /nfs/dbraw/zinc/27/86/79/173278679.db2.gz XRBXKSQZDJLBQL-JTQLQIEISA-N 1 0 236.340 1.559 10 0 BDAERO CNC(=O)COc1ccc(CC[C@H](C)[NH3+])cc1 ZINC000019279978 173279142 /nfs/dbraw/zinc/27/91/42/173279142.db2.gz RNAQSMUSAIVQDS-JTQLQIEISA-N 1 0 236.315 1.091 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000042562046 173294961 /nfs/dbraw/zinc/29/49/61/173294961.db2.gz NTHZVLHFGFDNDE-NWDGAFQWSA-N 1 0 249.358 1.792 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]CCOc1cccc(C)c1 ZINC000049538311 173295197 /nfs/dbraw/zinc/29/51/97/173295197.db2.gz MDIBECITLYUVTL-LLVKDONJSA-N 1 0 236.315 1.098 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061328902 173295794 /nfs/dbraw/zinc/29/57/94/173295794.db2.gz COKCNGCJKDIART-SCZZXKLOSA-N 1 0 238.356 1.850 10 0 BDAERO CNC(=O)[C@@H]([NH2+]C)c1ccc(Cl)s1 ZINC000082537000 173296830 /nfs/dbraw/zinc/29/68/30/173296830.db2.gz YNQHWRBETSXZDN-ZETCQYMHSA-N 1 0 218.709 1.408 10 0 BDAERO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(N)c1C ZINC000042391346 173298566 /nfs/dbraw/zinc/29/85/66/173298566.db2.gz WJPXYPLUWLQXDY-ZDUSSCGKSA-N 1 0 247.342 1.288 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]CCC1CCCCC1 ZINC000037741879 173302325 /nfs/dbraw/zinc/30/23/25/173302325.db2.gz HEYPVSMGFYUPCF-JTQLQIEISA-N 1 0 212.337 1.681 10 0 BDAERO CNC(=O)[C@H](C)Oc1cccc(C[C@@H](C)[NH3+])c1 ZINC000037726641 173304403 /nfs/dbraw/zinc/30/44/03/173304403.db2.gz GFNAGZXXHQRMSU-ZJUUUORDSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@H](CC(C)C)[NH2+]CC1CCOCC1 ZINC000052178392 173304694 /nfs/dbraw/zinc/30/46/94/173304694.db2.gz PIBOANRGJZYTBE-LBPRGKRZSA-N 1 0 242.363 1.163 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000061300400 173318531 /nfs/dbraw/zinc/31/85/31/173318531.db2.gz QHDHDWGWCBVGPE-UWVGGRQHSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC[C@H]1CCCC[C@@H]1C ZINC000061318960 173318547 /nfs/dbraw/zinc/31/85/47/173318547.db2.gz PVWGGCBUISKCAI-WDEREUQCSA-N 1 0 226.364 1.927 10 0 BDAERO C[NH2+]C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000238857221 173321045 /nfs/dbraw/zinc/32/10/45/173321045.db2.gz YITHVUIBQKJNDQ-UHFFFAOYSA-N 1 0 214.309 1.653 10 0 BDAERO C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000036880504 173322012 /nfs/dbraw/zinc/32/20/12/173322012.db2.gz RUDRJBSOTRHNKF-IDWGSYCQSA-N 1 0 210.321 1.289 10 0 BDAERO C[NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000037808317 173325043 /nfs/dbraw/zinc/32/50/43/173325043.db2.gz LUIIQCHWPWMZAZ-JTQLQIEISA-N 1 0 236.315 1.434 10 0 BDAERO C[NH2+]CC(=O)N(C)Cc1ccc(C)cc1C ZINC000037495867 173325492 /nfs/dbraw/zinc/32/54/92/173325492.db2.gz LCSWUCMISMFZAE-UHFFFAOYSA-N 1 0 220.316 1.481 10 0 BDAERO C[NH2+]CC(=O)NCC1CCC(C(C)C)CC1 ZINC000193134873 173329317 /nfs/dbraw/zinc/32/93/17/173329317.db2.gz PUZSXWHUJLHHSR-UHFFFAOYSA-N 1 0 226.364 1.784 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000040414414 173331193 /nfs/dbraw/zinc/33/11/93/173331193.db2.gz DUEGUVZCZRRSMW-QMMMGPOBSA-N 1 0 210.252 1.222 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(Cl)cc(C)c1O ZINC000193130613 173332331 /nfs/dbraw/zinc/33/23/31/173332331.db2.gz CABOSKQOLREOEE-UHFFFAOYSA-N 1 0 228.679 1.512 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000037764322 173333634 /nfs/dbraw/zinc/33/36/34/173333634.db2.gz MFPHUJFDXVDKAM-UHFFFAOYSA-N 1 0 247.323 1.968 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(F)c(F)cc1F ZINC000061094362 173334102 /nfs/dbraw/zinc/33/41/02/173334102.db2.gz ZIPWWYNMYAWGKM-UHFFFAOYSA-N 1 0 218.178 1.262 10 0 BDAERO C[NH2+]CC(=O)c1c(F)cccc1Cl ZINC000082913433 173334819 /nfs/dbraw/zinc/33/48/19/173334819.db2.gz KHORYQUBRUFXET-UHFFFAOYSA-N 1 0 201.628 1.881 10 0 BDAERO C[NH2+]CC(=O)c1cc(C)c2ccccc2n1 ZINC000207639582 173335504 /nfs/dbraw/zinc/33/55/04/173335504.db2.gz XSBYGXHZMNHZQB-UHFFFAOYSA-N 1 0 214.268 1.945 10 0 BDAERO C[NH2+]CC1([C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000054655356 173337577 /nfs/dbraw/zinc/33/75/77/173337577.db2.gz FDCBWDSWORGWQM-SNVBAGLBSA-N 1 0 231.361 1.201 10 0 BDAERO C[NH2+]CCCNCc1ccc(F)c(F)c1F ZINC000083358578 173348791 /nfs/dbraw/zinc/34/87/91/173348791.db2.gz KYCGMGZIHGKEQY-UHFFFAOYSA-N 1 0 232.249 1.803 10 0 BDAERO C[NH2+]CCCNCc1c(F)cc(F)cc1F ZINC000083358579 173349270 /nfs/dbraw/zinc/34/92/70/173349270.db2.gz OUXAQHNVHVZRRD-UHFFFAOYSA-N 1 0 232.249 1.803 10 0 BDAERO C[NH2+]CCCc1nc(Cc2ccc(O)cc2)no1 ZINC000034974012 173350352 /nfs/dbraw/zinc/35/03/52/173350352.db2.gz GWPSTQCFXGMYHI-UHFFFAOYSA-N 1 0 247.298 1.518 10 0 BDAERO C[NH2+]CCN(C)Cc1cc(F)c(OC)cc1F ZINC000077395680 173352431 /nfs/dbraw/zinc/35/24/31/173352431.db2.gz ATBRRQKCAHIQIE-UHFFFAOYSA-N 1 0 244.285 1.625 10 0 BDAERO C[NH2+]CCN(C)CCc1ccccc1F ZINC000077304103 173352728 /nfs/dbraw/zinc/35/27/28/173352728.db2.gz XTNFCDWNTNZMCR-UHFFFAOYSA-N 1 0 210.296 1.519 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc(F)cc1 ZINC000039149558 173352835 /nfs/dbraw/zinc/35/28/35/173352835.db2.gz AGCFACNHFBQOKH-UHFFFAOYSA-N 1 0 210.296 1.519 10 0 BDAERO C[NH2+]CCNc1cc2ccccc2c(=O)[nH]1 ZINC000054244773 173356835 /nfs/dbraw/zinc/35/68/35/173356835.db2.gz ZJTUJPBKCSHPOT-UHFFFAOYSA-N 1 0 217.272 1.159 10 0 BDAERO C[NH2+]CCNc1ccc(OC)c(Cl)c1 ZINC000058839757 173356901 /nfs/dbraw/zinc/35/69/01/173356901.db2.gz GVWBDSYOZKFTGM-UHFFFAOYSA-N 1 0 214.696 1.980 10 0 BDAERO C[NH2+]CCOCCc1ccc(F)c(C)c1 ZINC000077304662 173357021 /nfs/dbraw/zinc/35/70/21/173357021.db2.gz CDTFLPAJHKEEHW-UHFFFAOYSA-N 1 0 211.280 1.913 10 0 BDAERO C[NH2+]CC[C@@H](O)c1ccc(OC)c(C)c1OC ZINC000071549523 173358147 /nfs/dbraw/zinc/35/81/47/173358147.db2.gz RGSYGNPLUCRTHR-LLVKDONJSA-N 1 0 239.315 1.655 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1ccc(C)c(C)c1 ZINC000077373167 173358239 /nfs/dbraw/zinc/35/82/39/173358239.db2.gz LOAYUHLJHHMLKJ-CQSZACIVSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CC[C@@H](O)c1cc(OC)c(OC)cc1C ZINC000107291469 173358274 /nfs/dbraw/zinc/35/82/74/173358274.db2.gz AFNCLJMKIUTTGV-LLVKDONJSA-N 1 0 239.315 1.655 10 0 BDAERO C[NH2+]CCc1ccc(Br)o1 ZINC000082954719 173360013 /nfs/dbraw/zinc/36/00/13/173360013.db2.gz VXQXCEMIIXFKHO-UHFFFAOYSA-N 1 0 204.067 1.804 10 0 BDAERO C[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000003708647 173361280 /nfs/dbraw/zinc/36/12/80/173361280.db2.gz JTIFIERDBDKGDL-UHFFFAOYSA-N 1 0 210.224 1.924 10 0 BDAERO C[NH2+]CCc1noc(-c2ncccc2C)n1 ZINC000051850567 173361902 /nfs/dbraw/zinc/36/19/02/173361902.db2.gz XULMXUMYECAQFE-UHFFFAOYSA-N 1 0 218.260 1.202 10 0 BDAERO C[NH2+]C[C@@H](C)CN1CCc2ccccc21 ZINC000052420237 173364066 /nfs/dbraw/zinc/36/40/66/173364066.db2.gz GMAMWLCFJJCJOL-LLVKDONJSA-N 1 0 204.317 1.905 10 0 BDAERO C[NH2+]C[C@@H](C)COc1cccc(N(C)C)c1 ZINC000041241467 173364194 /nfs/dbraw/zinc/36/41/94/173364194.db2.gz GWKIBLXJZQENJC-LLVKDONJSA-N 1 0 222.332 1.987 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(Cl)ccc1OC ZINC000041228678 173365679 /nfs/dbraw/zinc/36/56/79/173365679.db2.gz LWNWEFRONLORNK-SECBINFHSA-N 1 0 215.680 1.601 10 0 BDAERO C[NH2+]C[C@@H](OCCOC)c1ccc(OC)cc1 ZINC000050495534 173366684 /nfs/dbraw/zinc/36/66/84/173366684.db2.gz ZWQGPKZVVMVLMF-CYBMUJFWSA-N 1 0 239.315 1.619 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1nc(C)cs1 ZINC000053703676 173369442 /nfs/dbraw/zinc/36/94/42/173369442.db2.gz OQVXRVCELZRCJQ-VIFPVBQESA-N 1 0 211.334 1.640 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000011892212 173370914 /nfs/dbraw/zinc/37/09/14/173370914.db2.gz YKIHUQBKALNEAY-JTQLQIEISA-N 1 0 208.280 1.871 10 0 BDAERO C[NH2+]C[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC000071544577 173371772 /nfs/dbraw/zinc/37/17/72/173371772.db2.gz QRXJMPOTOOLAFQ-CQSZACIVSA-N 1 0 234.343 1.415 10 0 BDAERO C[NH2+]C[C@@](C)(O)Cc1ccc(OC)cc1 ZINC000019684510 173372386 /nfs/dbraw/zinc/37/23/86/173372386.db2.gz JYWQTZJUMWOGAX-LBPRGKRZSA-N 1 0 209.289 1.208 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccccc1OCCOC ZINC000033468674 173372994 /nfs/dbraw/zinc/37/29/94/173372994.db2.gz OJFVSPMDZRROSF-CYBMUJFWSA-N 1 0 239.315 1.139 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccccc1Br ZINC000055032665 173373190 /nfs/dbraw/zinc/37/31/90/173373190.db2.gz FSMSHAYBENVTLP-SNVBAGLBSA-N 1 0 244.132 1.876 10 0 BDAERO C[NH2+]C[C@H](O)c1sccc1Br ZINC000083335965 173377427 /nfs/dbraw/zinc/37/74/27/173377427.db2.gz RYNVNNWKUHEKSN-LURJTMIESA-N 1 0 236.134 1.763 10 0 BDAERO C[NH2+]C[C@H](OCCOC)c1ccc(OC)cc1 ZINC000050495531 173378328 /nfs/dbraw/zinc/37/83/28/173378328.db2.gz ZWQGPKZVVMVLMF-ZDUSSCGKSA-N 1 0 239.315 1.619 10 0 BDAERO C[NH2+]C[C@H]1CCCN1C(=O)OC(C)C ZINC000072194485 173379984 /nfs/dbraw/zinc/37/99/84/173379984.db2.gz ZSBXVIUVMAKJBO-SECBINFHSA-N 1 0 200.282 1.215 10 0 BDAERO C[NH2+]C[C@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC000071544599 173382561 /nfs/dbraw/zinc/38/25/61/173382561.db2.gz PHTILSXTGOSZTD-AWEZNQCLSA-N 1 0 234.343 1.415 10 0 BDAERO C[NH2+]C[C@H]1CC[C@H](Cn2cnc(C)c2C)O1 ZINC000052593687 173382725 /nfs/dbraw/zinc/38/27/25/173382725.db2.gz HIQAXJUQAXXJAQ-VXGBXAGGSA-N 1 0 223.320 1.267 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000036163952 173383494 /nfs/dbraw/zinc/38/34/94/173383494.db2.gz XMCMXEJYKARFEV-ZDUSSCGKSA-N 1 0 237.299 1.275 10 0 BDAERO C[NH2+]C[C@H]1OCCN(C)[C@@H]1c1ccccc1 ZINC000069797537 173383504 /nfs/dbraw/zinc/38/35/04/173383504.db2.gz HSRFSSLZCICRJK-CHWSQXEVSA-N 1 0 220.316 1.278 10 0 BDAERO C[NH2+]C[C@]1(Cc2ccccc2)CCOC1 ZINC000054663727 173384016 /nfs/dbraw/zinc/38/40/16/173384016.db2.gz BOXAJFHJJXWSHZ-CYBMUJFWSA-N 1 0 205.301 1.855 10 0 BDAERO C[NH2+]Cc1c(C)nc(CSC)nc1C ZINC000054854016 173384380 /nfs/dbraw/zinc/38/43/80/173384380.db2.gz WNSJNUZPHAARFS-UHFFFAOYSA-N 1 0 211.334 1.676 10 0 BDAERO C[NH2+]Cc1c(Cl)cccc1-n1cncn1 ZINC000034825221 173384667 /nfs/dbraw/zinc/38/46/67/173384667.db2.gz CBJBKMLKWPYOOA-UHFFFAOYSA-N 1 0 222.679 1.640 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N1CC[C@H](C)C1 ZINC000040719279 173384759 /nfs/dbraw/zinc/38/47/59/173384759.db2.gz MMMMORDOAALTNA-VIFPVBQESA-N 1 0 222.336 1.294 10 0 BDAERO C[NH2+]Cc1cc(N2CCCO[C@H](C)C2)ccn1 ZINC000061935264 173387000 /nfs/dbraw/zinc/38/70/00/173387000.db2.gz SYCYFBJRQPBSPT-LLVKDONJSA-N 1 0 235.331 1.416 10 0 BDAERO C[NH2+]Cc1cc(N(C)C[C@H]2CCCOC2)ccn1 ZINC000104192675 173387006 /nfs/dbraw/zinc/38/70/06/173387006.db2.gz GREQFQVDASULOU-GFCCVEGCSA-N 1 0 249.358 1.664 10 0 BDAERO C[NH2+]Cc1cc(CN2CCOC[C@H]2C)c(C)o1 ZINC000052476081 173387336 /nfs/dbraw/zinc/38/73/36/173387336.db2.gz ADBGWDXYYSZWPW-SNVBAGLBSA-N 1 0 238.331 1.528 10 0 BDAERO C[NH2+]Cc1cc2c(cc1OCC1CC1)OCO2 ZINC000042874313 173387507 /nfs/dbraw/zinc/38/75/07/173387507.db2.gz UPRLVIVIJYBFND-UHFFFAOYSA-N 1 0 235.283 1.924 10 0 BDAERO C[NH2+]Cc1ccc(OCC2CCOCC2)nn1 ZINC000052170898 173388884 /nfs/dbraw/zinc/38/88/84/173388884.db2.gz XYZRFCWZIMEAPR-UHFFFAOYSA-N 1 0 237.303 1.001 10 0 BDAERO C[NH2+]Cc1ccc(N2CC[C@H](C)C2)nn1 ZINC000051448472 173389043 /nfs/dbraw/zinc/38/90/43/173389043.db2.gz KBUXLBJGFGFZPB-VIFPVBQESA-N 1 0 206.293 1.042 10 0 BDAERO C[NH2+]Cc1cccc(O[C@H]2CCC[C@@H]2O)c1 ZINC000037703865 173389412 /nfs/dbraw/zinc/38/94/12/173389412.db2.gz CSWXTKLFLBUVAK-STQMWFEESA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)c2cccn2C)c1 ZINC000036282730 173389414 /nfs/dbraw/zinc/38/94/14/173389414.db2.gz MNCPXOMMSNRRHU-UHFFFAOYSA-N 1 0 243.310 1.997 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)c2cnn(C)c2)c1 ZINC000036282725 173389636 /nfs/dbraw/zinc/38/96/36/173389636.db2.gz SVVUCDFCSIWVTI-UHFFFAOYSA-N 1 0 244.298 1.392 10 0 BDAERO C[NH2+]Cc1cccc(N2CCC[C@H]2C)n1 ZINC000051398752 173389750 /nfs/dbraw/zinc/38/97/50/173389750.db2.gz OWBIEBZHLUUBTQ-SNVBAGLBSA-N 1 0 205.305 1.790 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)c1cccn1C ZINC000036281004 173390190 /nfs/dbraw/zinc/39/01/90/173390190.db2.gz PDLVCIRLBZPJOH-UHFFFAOYSA-N 1 0 243.310 1.997 10 0 BDAERO C[NH2+]Cc1cccnc1-n1ccc(C2CC2)n1 ZINC000052885208 173390244 /nfs/dbraw/zinc/39/02/44/173390244.db2.gz XWAWBKUSXDYRBG-UHFFFAOYSA-N 1 0 228.299 1.864 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)c1cnns1 ZINC000036280460 173390399 /nfs/dbraw/zinc/39/03/99/173390399.db2.gz ZJHTWVWMQKXTAQ-UHFFFAOYSA-N 1 0 248.311 1.510 10 0 BDAERO C[NH2+]Cc1ccccc1O[C@H]1CCCCNC1=O ZINC000034658434 173390843 /nfs/dbraw/zinc/39/08/43/173390843.db2.gz QFMXECXVUKQTTB-ZDUSSCGKSA-N 1 0 248.326 1.454 10 0 BDAERO C[NH2+]Cc1cn2cccc(Br)c2n1 ZINC000076792699 173391198 /nfs/dbraw/zinc/39/11/98/173391198.db2.gz VHWNAZURGMHTIT-UHFFFAOYSA-N 1 0 240.104 1.816 10 0 BDAERO C[NH2+]Cc1ccnc(Cc2ccccc2)n1 ZINC000054791174 173391544 /nfs/dbraw/zinc/39/15/44/173391544.db2.gz WQEGSTYCRNVFED-UHFFFAOYSA-N 1 0 213.284 1.787 10 0 BDAERO C[NH2+]Cc1ccnc(-n2cnc(C)c2C)c1 ZINC000051928461 173391669 /nfs/dbraw/zinc/39/16/69/173391669.db2.gz RVBOAGZEVPWZPO-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000054900479 173392274 /nfs/dbraw/zinc/39/22/74/173392274.db2.gz UYJKVTTTXGOEKO-DTORHVGOSA-N 1 0 241.360 1.476 10 0 BDAERO C[NH2+]Cc1cnc(N2C[C@@H](C)OC[C@H]2C)s1 ZINC000054903448 173392434 /nfs/dbraw/zinc/39/24/34/173392434.db2.gz SQFJJNWDDAYQLY-RKDXNWHRSA-N 1 0 241.360 1.476 10 0 BDAERO C[NH2+]Cc1cnc(-c2cnn(C)c2)s1 ZINC000040996898 173392465 /nfs/dbraw/zinc/39/24/65/173392465.db2.gz WODGVYCLIHEFBI-UHFFFAOYSA-N 1 0 208.290 1.263 10 0 BDAERO C[NH2+]Cc1cnc(N2CCOC[C@H]2C)s1 ZINC000054903512 173392714 /nfs/dbraw/zinc/39/27/14/173392714.db2.gz DNQWRODTCMKKHQ-MRVPVSSYSA-N 1 0 227.333 1.088 10 0 BDAERO C[NH2+]Cc1cnn(-c2ccccc2F)c1 ZINC000040932444 173392956 /nfs/dbraw/zinc/39/29/56/173392956.db2.gz IEKRYXWCNXALCR-UHFFFAOYSA-N 1 0 205.236 1.731 10 0 BDAERO C[NH2+]Cc1nc(CN2CCCCC2)cs1 ZINC000052421126 173395077 /nfs/dbraw/zinc/39/50/77/173395077.db2.gz PELVENNTWHKJTM-UHFFFAOYSA-N 1 0 225.361 1.848 10 0 BDAERO C[NH2+]Cc1nccn1Cc1ccccc1C ZINC000035636874 173397108 /nfs/dbraw/zinc/39/71/08/173397108.db2.gz MYRXOWNKEUTABZ-UHFFFAOYSA-N 1 0 215.300 1.959 10 0 BDAERO C[NH2+]Cc1nnc(-c2cccc(O)c2)o1 ZINC000050615490 173397652 /nfs/dbraw/zinc/39/76/52/173397652.db2.gz QJCQOMQRVGQPHV-UHFFFAOYSA-N 1 0 205.217 1.162 10 0 BDAERO C[NH2+]Cc1nnnn1C[C@@H]1CCCC[C@H]1C ZINC000054746989 173398305 /nfs/dbraw/zinc/39/83/05/173398305.db2.gz VQQNYCCSUSICSA-ZJUUUORDSA-N 1 0 223.324 1.219 10 0 BDAERO C[NH2+]Cc1oc(CN2CCOCC2)cc1C ZINC000052378028 173399914 /nfs/dbraw/zinc/39/99/14/173399914.db2.gz IOTSNPFQMWDYLY-UHFFFAOYSA-N 1 0 224.304 1.140 10 0 BDAERO C[NH2+][C@@H](C)CCc1nc(-c2ncccc2C)no1 ZINC000104060599 173414323 /nfs/dbraw/zinc/41/43/23/173414323.db2.gz OABQWNDTFBDYTQ-JTQLQIEISA-N 1 0 246.314 1.981 10 0 BDAERO C[NH2+][C@@H](Cc1ccncc1)c1cncnc1 ZINC000053135351 173425475 /nfs/dbraw/zinc/42/54/75/173425475.db2.gz SXLSSMNEMZIFTR-LBPRGKRZSA-N 1 0 214.272 1.375 10 0 BDAERO C[NH2+][C@@H](Cc1ccccc1F)[C@H]1CCOC1 ZINC000048627923 173426138 /nfs/dbraw/zinc/42/61/38/173426138.db2.gz HLDHCSPQMWCWEG-AAEUAGOBSA-N 1 0 223.291 1.993 10 0 BDAERO C[NH2+][C@@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974296 173438333 /nfs/dbraw/zinc/43/83/33/173438333.db2.gz IBSOZJCWYGSQKR-OTYXRUKQSA-N 1 0 213.277 1.598 10 0 BDAERO CC(C)c1cc(NC(=O)C[C@@H]([NH3+])C(C)C)n[nH]1 ZINC000228340350 487627144 /nfs/dbraw/zinc/62/71/44/487627144.db2.gz CXLQAHNQRONYIN-SECBINFHSA-N 1 0 238.335 1.845 10 0 BDAERO COc1cccc(CN2CC[C@@H]([NH3+])[C@@H]2C)c1F ZINC000383469466 487627206 /nfs/dbraw/zinc/62/72/06/487627206.db2.gz PFDBGOUPGDICNH-GXSJLCMTSA-N 1 0 238.306 1.756 10 0 BDAERO COC(=O)[C@H](C[NH3+])Cc1cc(C)c(O)c(C)c1 ZINC000020579202 173796360 /nfs/dbraw/zinc/79/63/60/173796360.db2.gz TWYMIQKVHNWRAY-NSHDSACASA-N 1 0 237.299 1.299 10 0 BDAERO COC(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)cc1 ZINC000035070258 173884534 /nfs/dbraw/zinc/88/45/34/173884534.db2.gz QMXZWKVLKZLTBN-LBPRGKRZSA-N 1 0 234.299 1.637 10 0 BDAERO COC1CC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000336764518 174018961 /nfs/dbraw/zinc/01/89/61/174018961.db2.gz NIRVDCKDNKTGEL-XWCWTXAISA-N 1 0 227.348 1.957 10 0 BDAERO COC1CCN(C(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000037266857 174025570 /nfs/dbraw/zinc/02/55/70/174025570.db2.gz LCGFIPWKKLGMRK-NSHDSACASA-N 1 0 240.347 1.156 10 0 BDAERO COC1CC[NH+](Cc2ccc(O)c(N)c2)CC1 ZINC000037273608 174030467 /nfs/dbraw/zinc/03/04/67/174030467.db2.gz VQZPRTXGVYJAQB-UHFFFAOYSA-N 1 0 236.315 1.585 10 0 BDAERO COC1CCN(c2ncc([C@@H](C)[NH3+])s2)CC1 ZINC000054895431 174032671 /nfs/dbraw/zinc/03/26/71/174032671.db2.gz CUMSBLJFLVEHAZ-MRVPVSSYSA-N 1 0 241.360 1.778 10 0 BDAERO COCCCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000123536473 174169461 /nfs/dbraw/zinc/16/94/61/174169461.db2.gz CRQBUERBTNBKHZ-UHFFFAOYSA-N 1 0 248.326 1.697 10 0 BDAERO COCCCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000117879021 174192161 /nfs/dbraw/zinc/19/21/61/174192161.db2.gz VZYQGOPVXJRPFW-ZDUSSCGKSA-N 1 0 237.347 1.984 10 0 BDAERO COCCCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000117884415 174195014 /nfs/dbraw/zinc/19/50/14/174195014.db2.gz PRDQVMBRIXPPDG-LBPRGKRZSA-N 1 0 237.347 1.636 10 0 BDAERO COCCCC[NH2+]Cc1cnn(C)c1C ZINC000086552025 174202621 /nfs/dbraw/zinc/20/26/21/174202621.db2.gz ZWXPTKLWALRWLZ-UHFFFAOYSA-N 1 0 211.309 1.245 10 0 BDAERO COCCC[N@H+](CCOC)CC(=O)C(C)(C)C ZINC000042423602 174223352 /nfs/dbraw/zinc/22/33/52/174223352.db2.gz RAEUVWIJZTWFGR-UHFFFAOYSA-N 1 0 245.363 1.587 10 0 BDAERO COCCCN(CCOC)[C@H](C[NH3+])CC(C)C ZINC000042421091 174225770 /nfs/dbraw/zinc/22/57/70/174225770.db2.gz OGZPSGQFSGFIQS-ZDUSSCGKSA-N 1 0 246.395 1.345 10 0 BDAERO COCCC[NH2+]C[C@H](C)N1C[C@@H](C)OC[C@H]1C ZINC000053491051 174246756 /nfs/dbraw/zinc/24/67/56/174246756.db2.gz NNBRPGHIENXFCI-YNEHKIRRSA-N 1 0 244.379 1.110 10 0 BDAERO COCCC[NH2+]CCOc1ccc(F)cc1 ZINC000041248218 174247618 /nfs/dbraw/zinc/24/76/18/174247618.db2.gz XDKBLRQFYVUKMV-UHFFFAOYSA-N 1 0 227.279 1.831 10 0 BDAERO COCCCOC[C@H]([NH3+])c1ccccc1OC ZINC000037747171 174255319 /nfs/dbraw/zinc/25/53/19/174255319.db2.gz JHRBJXNZEKOBOX-LBPRGKRZSA-N 1 0 239.315 1.748 10 0 BDAERO COCC[N@H+](C)C[C@@H](O)c1ccc(OC)cc1 ZINC000042256255 174278517 /nfs/dbraw/zinc/27/85/17/174278517.db2.gz FXRBJJOKXZPAEV-CYBMUJFWSA-N 1 0 239.315 1.307 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000041241209 174283836 /nfs/dbraw/zinc/28/38/36/174283836.db2.gz XCYNDKTYDFJUJH-CYBMUJFWSA-N 1 0 222.332 1.573 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1cccc(C)c1 ZINC000041241203 174284039 /nfs/dbraw/zinc/28/40/39/174284039.db2.gz KJGWYJVFISNKKV-CYBMUJFWSA-N 1 0 222.332 1.573 10 0 BDAERO COCCN([C@H](C[NH3+])c1ccc(C)o1)C1CC1 ZINC000042517927 174285055 /nfs/dbraw/zinc/28/50/55/174285055.db2.gz HXNSQANBHDLVRJ-GFCCVEGCSA-N 1 0 238.331 1.699 10 0 BDAERO COCCN(CC(C)C)[C@H](C[NH3+])c1ccco1 ZINC000042368589 174286914 /nfs/dbraw/zinc/28/69/14/174286914.db2.gz KKFRSPJACHVNKZ-GFCCVEGCSA-N 1 0 240.347 1.884 10 0 BDAERO COCC[N@H+](CCCCC(C)=O)[C@H](C)COC ZINC000042608806 174291072 /nfs/dbraw/zinc/29/10/72/174291072.db2.gz JQKGJWXGQONMDV-GFCCVEGCSA-N 1 0 245.363 1.729 10 0 BDAERO COCC[N@H+](CCn1cc(N)cn1)CC(C)C ZINC000050614826 174297218 /nfs/dbraw/zinc/29/72/18/174297218.db2.gz CBTBDNMUKRZQAM-UHFFFAOYSA-N 1 0 240.351 1.070 10 0 BDAERO COCCN(C[C@H]([NH3+])CC(C)C)[C@@H](C)COC ZINC000042610884 174297223 /nfs/dbraw/zinc/29/72/23/174297223.db2.gz PCQSRSVLTYWFLW-QWHCGFSZSA-N 1 0 246.395 1.343 10 0 BDAERO COCCN(c1ccc(N)cn1)[C@@H](C)C1CC1 ZINC000042614681 174302449 /nfs/dbraw/zinc/30/24/49/174302449.db2.gz HBHUXPKVMSPRBQ-JTQLQIEISA-N 1 0 235.331 1.915 10 0 BDAERO COCCN(c1cc(C[NH3+])ccn1)[C@@H](C)C1CC1 ZINC000042613774 174302847 /nfs/dbraw/zinc/30/28/47/174302847.db2.gz CEYVOULJERECPA-NSHDSACASA-N 1 0 249.358 1.792 10 0 BDAERO COCC[N@@H+]1CC(C)(C)NC[C@@H]1C(C)C ZINC000062571797 174304046 /nfs/dbraw/zinc/30/40/46/174304046.db2.gz OYOMWVWFCRZNNR-LLVKDONJSA-N 1 0 214.353 1.341 10 0 BDAERO COCC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000105876106 174304847 /nfs/dbraw/zinc/30/48/47/174304847.db2.gz RDWBEZJQPCYQFB-UHFFFAOYSA-N 1 0 237.347 1.321 10 0 BDAERO COCC[NH2+]CCCN(C)Cc1ccoc1C ZINC000053499949 174332396 /nfs/dbraw/zinc/33/23/96/174332396.db2.gz VWXSGOGHPZZPPQ-UHFFFAOYSA-N 1 0 240.347 1.646 10 0 BDAERO COCC[NH2+]CCN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000053342021 174332406 /nfs/dbraw/zinc/33/24/06/174332406.db2.gz YIWIOEZKSZIBNI-UONOGXRCSA-N 1 0 240.391 1.735 10 0 BDAERO COCC[NH2+]CCOc1cccc(N(C)C)c1 ZINC000041280567 174333386 /nfs/dbraw/zinc/33/33/86/174333386.db2.gz RMWRCOLJAJWNHF-UHFFFAOYSA-N 1 0 238.331 1.367 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000032012198 174333511 /nfs/dbraw/zinc/33/35/11/174333511.db2.gz ZSYXJDBOWJUVGN-GFCCVEGCSA-N 1 0 209.289 1.264 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000037873049 174333633 /nfs/dbraw/zinc/33/36/33/174333633.db2.gz XVDZMSUWIUPPAG-LLVKDONJSA-N 1 0 231.242 1.234 10 0 BDAERO COCC[NH2+]CCOc1cccc2cccnc21 ZINC000041297513 174333676 /nfs/dbraw/zinc/33/36/76/174333676.db2.gz NSCUBTBCAIYXBU-UHFFFAOYSA-N 1 0 246.310 1.850 10 0 BDAERO COCC[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000061641374 174333795 /nfs/dbraw/zinc/33/37/95/174333795.db2.gz YOQOMCPGGVXGAH-UHFFFAOYSA-N 1 0 245.326 1.651 10 0 BDAERO COCC[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000032103356 174334666 /nfs/dbraw/zinc/33/46/66/174334666.db2.gz HHKWSSABRYJKLR-JTQLQIEISA-N 1 0 247.697 1.749 10 0 BDAERO COCC[NH2+]Cc1ccccc1OCCCO ZINC000062729680 174336128 /nfs/dbraw/zinc/33/61/28/174336128.db2.gz NEQNKRDCFYXFIW-UHFFFAOYSA-N 1 0 239.315 1.184 10 0 BDAERO COCC[NH2+]Cc1cccc(F)c1OC ZINC000083347382 174336334 /nfs/dbraw/zinc/33/63/34/174336334.db2.gz LPTWWNNXRTUQBK-UHFFFAOYSA-N 1 0 213.252 1.570 10 0 BDAERO COCCO[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043029826 174366664 /nfs/dbraw/zinc/36/66/64/174366664.db2.gz BYKDLKWSSHSFKO-MFKMUULPSA-N 1 0 239.315 1.747 10 0 BDAERO COCCOc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000019390854 174368572 /nfs/dbraw/zinc/36/85/72/174368572.db2.gz YGXIXUASZUERKD-LLVKDONJSA-N 1 0 223.316 1.992 10 0 BDAERO COCCOc1ccc(CC[C@H](C)[NH3+])cc1 ZINC000019390857 174368584 /nfs/dbraw/zinc/36/85/84/174368584.db2.gz YGXIXUASZUERKD-NSHDSACASA-N 1 0 223.316 1.992 10 0 BDAERO COCc1cccc(N2CCC[NH2+]CC2)c1 ZINC000049660656 174631764 /nfs/dbraw/zinc/63/17/64/174631764.db2.gz AKAACXIJZBSMBY-UHFFFAOYSA-N 1 0 220.316 1.633 10 0 BDAERO COc1cc(OC)c(CC[C@H](C)[NH3+])c(OC)c1 ZINC000033756444 175007335 /nfs/dbraw/zinc/00/73/35/175007335.db2.gz XCOSLSXZEMZDEY-VIFPVBQESA-N 1 0 239.315 1.992 10 0 BDAERO COc1cc([C@@H]2C[C@@H]2C[NH3+])cc(OC)c1OC ZINC000041278435 175015470 /nfs/dbraw/zinc/01/54/70/175015470.db2.gz RFXRFWPUFLQXRQ-ZJUUUORDSA-N 1 0 237.299 1.775 10 0 BDAERO COc1cc([C@H](O)C[NH2+]C(C)C)ccc1O ZINC000000000495 175017275 /nfs/dbraw/zinc/01/72/75/175017275.db2.gz XXCCGRRUBBGZRE-LLVKDONJSA-N 1 0 225.288 1.432 10 0 in-man BDAERO COc1cc2c(CC[NH3+])c[nH]c2cc1O ZINC000138613571 175019681 /nfs/dbraw/zinc/01/96/81/175019681.db2.gz KNQXRUNVHVEFFD-UHFFFAOYSA-N 1 0 206.245 1.383 10 0 BDAERO COc1cc2c(c(OC)c1OC)C(=O)C[C@H]2[NH3+] ZINC000003592615 175020753 /nfs/dbraw/zinc/02/07/53/175020753.db2.gz IEARZMCWBPLDRM-SSDOTTSWSA-N 1 0 237.255 1.299 10 0 BDAERO COc1cc2c(cc1C[C@@H](C)[NH3+])O[C@H](C)C2 ZINC000026825749 175021224 /nfs/dbraw/zinc/02/12/24/175021224.db2.gz XBHKBTCXRYPZMX-RKDXNWHRSA-N 1 0 221.300 1.908 10 0 BDAERO COc1cc2c(cc1OC)CC([NH+](C)C)C2 ZINC000013471364 175024224 /nfs/dbraw/zinc/02/42/24/175024224.db2.gz DYQUYWLIGRBNGV-UHFFFAOYSA-N 1 0 221.300 1.733 10 0 BDAERO COc1cc2nc(CC[NH3+])n(C)c2cc1OC ZINC000011567877 175028180 /nfs/dbraw/zinc/02/81/80/175028180.db2.gz GAZGFABQQZQVSW-UHFFFAOYSA-N 1 0 235.287 1.092 10 0 BDAERO COc1ccc(-c2n[nH]c(CCC[NH3+])n2)cc1 ZINC000061844172 175037995 /nfs/dbraw/zinc/03/79/95/175037995.db2.gz NZXLBFNFNDLILS-UHFFFAOYSA-N 1 0 232.287 1.372 10 0 BDAERO COc1ccc(-c2nn(C)cc2C[NH3+])cc1 ZINC000031885526 175041464 /nfs/dbraw/zinc/04/14/64/175041464.db2.gz UXNUXGSYYDFEAB-UHFFFAOYSA-N 1 0 217.272 1.554 10 0 BDAERO COc1ccc(Br)c([C@H](O)C[NH3+])c1 ZINC000082309928 175051103 /nfs/dbraw/zinc/05/11/03/175051103.db2.gz WWJUEGRYOLISTM-SECBINFHSA-N 1 0 246.104 1.450 10 0 BDAERO COc1ccc(C(=O)C2([NH3+])CC2)cc1OC ZINC000011630591 175052884 /nfs/dbraw/zinc/05/28/84/175052884.db2.gz SMAIFMIABGWDTG-UHFFFAOYSA-N 1 0 221.256 1.378 10 0 BDAERO COc1ccc(C(=O)CC[NH2+]C(C)C)cc1N ZINC000098126141 175053465 /nfs/dbraw/zinc/05/34/65/175053465.db2.gz ZEOYVQNBMISEAD-UHFFFAOYSA-N 1 0 236.315 1.848 10 0 BDAERO COc1ccc(C(=O)CCC[NH3+])c(OC)c1 ZINC000074368584 175053602 /nfs/dbraw/zinc/05/36/02/175053602.db2.gz GGIRDYRXJNBKNJ-UHFFFAOYSA-N 1 0 223.272 1.625 10 0 BDAERO COc1ccc(C(=O)C[NH2+]C2CC2)c(OC)c1 ZINC000049827211 175054303 /nfs/dbraw/zinc/05/43/03/175054303.db2.gz XAJXIHVOVMQNPE-UHFFFAOYSA-N 1 0 235.283 1.639 10 0 BDAERO COc1ccc(C(C)=O)c(OCC[NH+](C)C)c1 ZINC000002035280 175067534 /nfs/dbraw/zinc/06/75/34/175067534.db2.gz RCONAZHMVQHWCA-UHFFFAOYSA-N 1 0 237.299 1.838 10 0 BDAERO COc1ccc(C)cc1-c1ccc(NN)[nH+]n1 ZINC000050194182 175072072 /nfs/dbraw/zinc/07/20/72/175072072.db2.gz SFRSLCJGEASSFK-UHFFFAOYSA-N 1 0 230.271 1.746 10 0 BDAERO COc1ccc(C)cc1CC[NH2+]CC(C)(C)O ZINC000098126258 175075244 /nfs/dbraw/zinc/07/52/44/175075244.db2.gz IIFGXJMMHSPIKQ-UHFFFAOYSA-N 1 0 237.343 1.907 10 0 BDAERO COc1ccc(C)cc1C[C@]1(O)CC[N@H+](C)C1 ZINC000061987050 175076900 /nfs/dbraw/zinc/07/69/00/175076900.db2.gz XDMVLFQILKFJPJ-CQSZACIVSA-N 1 0 235.327 1.613 10 0 BDAERO COc1ccc(C)cc1C[C@@]1(O)CCC[NH2+]C1 ZINC000071545659 175077111 /nfs/dbraw/zinc/07/71/11/175077111.db2.gz KHLDVTWMXATAHM-AWEZNQCLSA-N 1 0 235.327 1.661 10 0 BDAERO COc1ccc(C)cc1C[C@H]1C[NH2+]CC[C@H]1O ZINC000071545657 175077122 /nfs/dbraw/zinc/07/71/22/175077122.db2.gz KYSGGROOLDBVDS-QWHCGFSZSA-N 1 0 235.327 1.517 10 0 BDAERO COc1ccc(C)cc1NC(=O)C1(C[NH3+])CC1 ZINC000077369023 175077945 /nfs/dbraw/zinc/07/79/45/175077945.db2.gz JYIXTUSALFTVNC-UHFFFAOYSA-N 1 0 234.299 1.681 10 0 BDAERO COc1ccc(C)cc1[C@@]1(C)OC[C@@H](C[NH3+])O1 ZINC000049828752 175081381 /nfs/dbraw/zinc/08/13/81/175081381.db2.gz ZHKSPUAZPIHIAB-MFKMUULPSA-N 1 0 237.299 1.550 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2[C@@H]2CCC[C@H]2O)cn1 ZINC000328212860 487629648 /nfs/dbraw/zinc/62/96/48/487629648.db2.gz KXKKOOLTMMNXTB-YNEHKIRRSA-N 1 0 235.331 1.470 10 0 BDAERO COc1ccc(C2(C[NH3+])OCCO2)cc1Cl ZINC000049831547 175084788 /nfs/dbraw/zinc/08/47/88/175084788.db2.gz IFAMJZAUBBGMFE-UHFFFAOYSA-N 1 0 243.690 1.507 10 0 BDAERO COc1ccc(CCC[C@@H](O)C[NH3+])cc1 ZINC000071511674 175089363 /nfs/dbraw/zinc/08/93/63/175089363.db2.gz SABPJOKXYDYXHJ-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO COc1ccc(CCO)cc1C[NH+](C)C ZINC000045206460 175092763 /nfs/dbraw/zinc/09/27/63/175092763.db2.gz LGIYFJVOUMSCHZ-UHFFFAOYSA-N 1 0 209.289 1.292 10 0 BDAERO COc1ccc(CC[C@@H]2COCC[NH2+]2)cc1 ZINC000071522916 175093408 /nfs/dbraw/zinc/09/34/08/175093408.db2.gz QPUQMGNHERGZOW-GFCCVEGCSA-N 1 0 221.300 1.616 10 0 BDAERO COc1ccc(CC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000027520824 175093898 /nfs/dbraw/zinc/09/38/98/175093898.db2.gz PHGBFCDHMAOENY-ZDUSSCGKSA-N 1 0 237.343 1.987 10 0 BDAERO COc1ccc(CO[C@H]2CC[NH2+]C2)cc1F ZINC000051782343 175114589 /nfs/dbraw/zinc/11/45/89/175114589.db2.gz WFURXUUARBMARM-JTQLQIEISA-N 1 0 225.263 1.713 10 0 BDAERO COc1ccc(Cl)c([C@H](N)C[NH3+])c1F ZINC000044473184 175118839 /nfs/dbraw/zinc/11/88/39/175118839.db2.gz WMXJCQZKMOMLGJ-ZCFIWIBFSA-N 1 0 218.659 1.446 10 0 BDAERO COc1ccc(Cl)c(NC(=O)[C@H](C)[NH3+])c1 ZINC000043318561 175118975 /nfs/dbraw/zinc/11/89/75/175118975.db2.gz YPTIDDVWGUNDCG-LURJTMIESA-N 1 0 228.679 1.634 10 0 BDAERO COc1ccc(Cl)cc1C(=O)CC[NH3+] ZINC000036159025 175120021 /nfs/dbraw/zinc/12/00/21/175120021.db2.gz WEGPFOBQTVGTOC-UHFFFAOYSA-N 1 0 213.664 1.880 10 0 BDAERO COc1ccc(Cl)cc1C(=O)N[C@H]1C[C@@H]1[NH3+] ZINC000036234515 175120859 /nfs/dbraw/zinc/12/08/59/175120859.db2.gz BALRLJJFYIRTNA-IUCAKERBSA-N 1 0 240.690 1.178 10 0 BDAERO COc1ccc(Cl)cc1C[C@H]([NH3+])CO ZINC000044468714 175121081 /nfs/dbraw/zinc/12/10/81/175121081.db2.gz DNDFMMFBEZLMHO-VIFPVBQESA-N 1 0 215.680 1.211 10 0 BDAERO COc1ccc(NC(C)=O)cc1CC[NH2+]C1CC1 ZINC000098128411 175148127 /nfs/dbraw/zinc/14/81/27/175148127.db2.gz LUAONBMMQXUYKH-UHFFFAOYSA-N 1 0 248.326 1.948 10 0 BDAERO COc1ccc(NC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000054239487 175151890 /nfs/dbraw/zinc/15/18/90/175151890.db2.gz ILBHYZDZZYQDKD-NSHDSACASA-N 1 0 235.331 1.844 10 0 BDAERO COc1ccc(OC)c(N(C)[C@H](C)CC[NH3+])c1 ZINC000049829383 175166241 /nfs/dbraw/zinc/16/62/41/175166241.db2.gz OXYKCHQVZQIOHD-SNVBAGLBSA-N 1 0 238.331 1.877 10 0 BDAERO COc1ccc(OC)c([C@H](O)CCC[NH3+])c1 ZINC000019674915 175169222 /nfs/dbraw/zinc/16/92/22/175169222.db2.gz VGLIARMRQOEZIC-LLVKDONJSA-N 1 0 225.288 1.476 10 0 BDAERO COc1ccc(OC)c([C@](O)(C[NH3+])C(C)C)c1 ZINC000033468706 175169440 /nfs/dbraw/zinc/16/94/40/175169440.db2.gz VISZHTMAFJHIJQ-ZDUSSCGKSA-N 1 0 239.315 1.506 10 0 BDAERO COc1ccc(OC)c([C@](O)(C[NH3+])C2CC2)c1 ZINC000049828760 175169790 /nfs/dbraw/zinc/16/97/90/175169790.db2.gz ZUTYZWKDCSPNAS-ZDUSSCGKSA-N 1 0 237.299 1.260 10 0 BDAERO COc1ccc(SC[C@@H](O)CC[NH3+])cc1C ZINC000019687080 175175036 /nfs/dbraw/zinc/17/50/36/175175036.db2.gz BIXLQUVXYVEJGL-JTQLQIEISA-N 1 0 241.356 1.805 10 0 BDAERO COc1ccc([C@@H](C[NH3+])CCO)c(OC)c1 ZINC000041245680 175178340 /nfs/dbraw/zinc/17/83/40/175178340.db2.gz YHJSUJCORXCATH-SECBINFHSA-N 1 0 225.288 1.129 10 0 BDAERO COc1ccc([C@@H](O)[C@@H](C)[NH3+])c(Cl)c1 ZINC000071519509 175181191 /nfs/dbraw/zinc/18/11/91/175181191.db2.gz QHHODEKJELTGSM-LDWIPMOCSA-N 1 0 215.680 1.729 10 0 BDAERO COc1ccc([C@@H]([C@@H](C)[NH3+])n2cccn2)cc1 ZINC000042962197 175182274 /nfs/dbraw/zinc/18/22/74/175182274.db2.gz LWVRWBYQZINYFX-ZWNOBZJWSA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccc([C@@H]2NC(=O)CC[C@@H]2[NH3+])cc1C ZINC000076680850 175185647 /nfs/dbraw/zinc/18/56/47/175185647.db2.gz MJSCBDCGFNYALB-GWCFXTLKSA-N 1 0 234.299 1.282 10 0 BDAERO COc1ccc([C@H](C[NH3+])n2cc(C)cn2)cc1 ZINC000042962327 175191265 /nfs/dbraw/zinc/19/12/65/175191265.db2.gz OKDYIULECSQTQD-ZDUSSCGKSA-N 1 0 231.299 1.748 10 0 BDAERO COc1ccc([C@H]([NH3+])CO)c(Br)c1 ZINC000096880040 175192016 /nfs/dbraw/zinc/19/20/16/175192016.db2.gz FLNZYFPVMJBELK-SECBINFHSA-N 1 0 246.104 1.450 10 0 BDAERO COc1ccc([C@H](N)C[NH3+])cc1Br ZINC000038052126 175192238 /nfs/dbraw/zinc/19/22/38/175192238.db2.gz NIJXGSNHKAWETB-MRVPVSSYSA-N 1 0 245.120 1.416 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H]2COCCO2)cc1F ZINC000055299194 175192277 /nfs/dbraw/zinc/19/22/77/175192277.db2.gz GXYLSECWXSTGJD-RYUDHWBXSA-N 1 0 241.262 1.250 10 0 BDAERO COc1ccc([C@H](O)CC[NH2+]C2CC2)cc1N ZINC000098126136 175193163 /nfs/dbraw/zinc/19/31/63/175193163.db2.gz AANHBNCAXFOQAS-GFCCVEGCSA-N 1 0 236.315 1.453 10 0 BDAERO COc1ccc([C@H]2C[NH2+][C@H](C)CO2)cc1OC ZINC000033466006 175196643 /nfs/dbraw/zinc/19/66/43/175196643.db2.gz FLZQKONIXCWMGK-NOZJJQNGSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCO2)cc1C ZINC000049813878 175196838 /nfs/dbraw/zinc/19/68/38/175196838.db2.gz BEMJHCJEOOEBIB-GFCCVEGCSA-N 1 0 207.273 1.665 10 0 BDAERO COc1ccc([C@](C)([NH2+]C2CC2)C(N)=O)cc1 ZINC000037514612 175199874 /nfs/dbraw/zinc/19/98/74/175199874.db2.gz HTNLUCMBDVUSHR-ZDUSSCGKSA-N 1 0 234.299 1.148 10 0 BDAERO COc1ccc([C@]2(C)C[C@@H]2[NH3+])cc1OC ZINC000052126385 175200295 /nfs/dbraw/zinc/20/02/95/175200295.db2.gz ICKYTWQGPZGDGR-RYUDHWBXSA-N 1 0 207.273 1.693 10 0 BDAERO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH3+])CC3 ZINC000013745611 175201864 /nfs/dbraw/zinc/20/18/64/175201864.db2.gz ZQOUZQXHFNHWPT-QMMMGPOBSA-N 1 0 216.284 1.993 10 0 BDAERO COc1ccc2c(C[NH+](C)C)cc(=O)oc2c1 ZINC000007812561 175204495 /nfs/dbraw/zinc/20/44/95/175204495.db2.gz LXMHUJTYIQLCAN-UHFFFAOYSA-N 1 0 233.267 1.863 10 0 BDAERO COc1ccc2c(c1)CC[C@@H]([NH+](C)C)[C@@H]2N ZINC000019271428 175209984 /nfs/dbraw/zinc/20/99/84/175209984.db2.gz UWXZZKVMPZWKOL-CHWSQXEVSA-N 1 0 220.316 1.571 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])CCC[S@]2=O ZINC000040975679 175214287 /nfs/dbraw/zinc/21/42/87/175214287.db2.gz OUTQMAMLJAGKMH-BONVTDFDSA-N 1 0 225.313 1.596 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](C)CS2(=O)=O ZINC000035755742 175214454 /nfs/dbraw/zinc/21/44/54/175214454.db2.gz BWPLOEXCSADIBN-CPCISQLKSA-N 1 0 241.312 1.118 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])C[C@@H](C)S2(=O)=O ZINC000035752283 175216012 /nfs/dbraw/zinc/21/60/12/175216012.db2.gz JSCBVYJVWQPYIY-GMSGAONNSA-N 1 0 241.312 1.261 10 0 BDAERO COc1ccc2c(cc(CC[NH3+])n2C)c1 ZINC000034061577 175218915 /nfs/dbraw/zinc/21/89/15/175218915.db2.gz RIDXHOGWUVRCCM-UHFFFAOYSA-N 1 0 204.273 1.688 10 0 BDAERO COc1ccc2c(c1OC)C[NH2+][C@H](C)C2 ZINC000070622356 175222517 /nfs/dbraw/zinc/22/25/17/175222517.db2.gz YACZCJYTOVQMDA-MRVPVSSYSA-N 1 0 207.273 1.738 10 0 BDAERO COc1ccc2cc(C[NH2+]CC(N)=O)ccc2c1 ZINC000022145600 175224320 /nfs/dbraw/zinc/22/43/20/175224320.db2.gz MOOCSBBWZJKQEG-UHFFFAOYSA-N 1 0 244.294 1.423 10 0 BDAERO COc1ccc2oc(C[C@@H]3COCC[NH2+]3)nc2c1 ZINC000076167720 175230870 /nfs/dbraw/zinc/23/08/70/175230870.db2.gz CYZHPHOJQSEXMX-SECBINFHSA-N 1 0 248.282 1.367 10 0 BDAERO COc1cccc(-c2ocnc2C[NH3+])c1 ZINC000082639447 175238920 /nfs/dbraw/zinc/23/89/20/175238920.db2.gz MHWDRORNPWNHNT-UHFFFAOYSA-N 1 0 204.229 1.809 10 0 BDAERO COc1cccc(CC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000041232482 175250857 /nfs/dbraw/zinc/25/08/57/175250857.db2.gz XJSOQIYNNCIGMF-LBPRGKRZSA-N 1 0 219.284 1.559 10 0 BDAERO COc1cccc(CCN2CCC[C@H]([NH3+])C2)c1 ZINC000057954325 175251587 /nfs/dbraw/zinc/25/15/87/175251587.db2.gz VFOPKMZNTXWVNP-ZDUSSCGKSA-N 1 0 234.343 1.661 10 0 BDAERO COc1cccc(CC[C@H]2COCC[NH2+]2)c1 ZINC000071522915 175253415 /nfs/dbraw/zinc/25/34/15/175253415.db2.gz RBYQOIWKZIBWER-LBPRGKRZSA-N 1 0 221.300 1.616 10 0 BDAERO COc1cccc(CCn2cnnc2CC[NH3+])c1 ZINC000098128266 175253987 /nfs/dbraw/zinc/25/39/87/175253987.db2.gz JXNQTIKYONSTPD-UHFFFAOYSA-N 1 0 246.314 1.031 10 0 BDAERO COc1cccc(C[N@H+](C)CCC(N)=S)c1 ZINC000019834931 175254924 /nfs/dbraw/zinc/25/49/24/175254924.db2.gz QGYLLPDZLSPZRD-UHFFFAOYSA-N 1 0 238.356 1.803 10 0 BDAERO COc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)c1 ZINC000089160151 175264453 /nfs/dbraw/zinc/26/44/53/175264453.db2.gz PHMDPNVRCLVMHN-JSGCOSHPSA-N 1 0 235.327 1.946 10 0 BDAERO COc1cccc(N(C)C(=O)[C@@H](C)C[NH3+])c1 ZINC000049971583 175274934 /nfs/dbraw/zinc/27/49/34/175274934.db2.gz IMOKNEQGLWAGRX-VIFPVBQESA-N 1 0 222.288 1.253 10 0 BDAERO COc1cccc(N2CC[NH2+]C[C@@H](C)C2)c1 ZINC000049661757 175275127 /nfs/dbraw/zinc/27/51/27/175275127.db2.gz UIQYFLMUZFRAOU-LLVKDONJSA-N 1 0 220.316 1.741 10 0 BDAERO COc1cccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000104120753 175278741 /nfs/dbraw/zinc/27/87/41/175278741.db2.gz CVOYWGKKTXQXLC-NSHDSACASA-N 1 0 247.342 1.986 10 0 BDAERO COc1cccc(OC)c1OCCCC[NH3+] ZINC000019388750 175281908 /nfs/dbraw/zinc/28/19/08/175281908.db2.gz ZYCYZBOVJRIVQN-UHFFFAOYSA-N 1 0 225.288 1.822 10 0 BDAERO COc1cccc(OC)c1OC[C@@H]1CCC[NH2+]1 ZINC000020221617 175282795 /nfs/dbraw/zinc/28/27/95/175282795.db2.gz HIAWGPNFYBFTCV-JTQLQIEISA-N 1 0 237.299 1.835 10 0 BDAERO COc1cccc([C@@H](C[NH3+])n2cccn2)c1 ZINC000043028703 175287476 /nfs/dbraw/zinc/28/74/76/175287476.db2.gz HCPIHVOFMIWTOL-GFCCVEGCSA-N 1 0 217.272 1.440 10 0 BDAERO COc1cccc([C@@H]2C[NH2+]C[C@H](C)O2)c1 ZINC000032011710 175290727 /nfs/dbraw/zinc/29/07/27/175290727.db2.gz PFPCQMFBAXRDGB-CABZTGNLSA-N 1 0 207.273 1.745 10 0 BDAERO COc1cccc([C@H](C[NH3+])n2ccnc2)c1 ZINC000043028748 175294498 /nfs/dbraw/zinc/29/44/98/175294498.db2.gz UDIYGFIQWQCJIX-LBPRGKRZSA-N 1 0 217.272 1.440 10 0 BDAERO COc1cccc([C@H](O)CC[NH+](C)C)c1 ZINC000041629321 175294808 /nfs/dbraw/zinc/29/48/08/175294808.db2.gz MPPDIUIGJXVRJU-GFCCVEGCSA-N 1 0 209.289 1.680 10 0 BDAERO COc1cccc2c1CC[C@]1(C[NH+]=CN1)C2 ZINC000013743737 175303570 /nfs/dbraw/zinc/30/35/70/175303570.db2.gz YTCVRHOTCDVIGI-CYBMUJFWSA-N 1 0 216.284 1.554 10 0 BDAERO COc1cccc2c1[S@@](=O)CC[C@@H]2[NH3+] ZINC000041031238 175305652 /nfs/dbraw/zinc/30/56/52/175305652.db2.gz SVRYTCJPAVZART-RMLUDKJBSA-N 1 0 211.286 1.206 10 0 BDAERO COc1cccc2c1ccn2C[C@@H](C)[NH3+] ZINC000013764783 175306469 /nfs/dbraw/zinc/30/64/69/175306469.db2.gz RMVMBPYOHHFMEV-SECBINFHSA-N 1 0 204.273 1.997 10 0 BDAERO COc1ccccc1-c1c[nH]c(C[NH3+])n1 ZINC000036870951 175308633 /nfs/dbraw/zinc/30/86/33/175308633.db2.gz VIAMQLXTHMQEBW-UHFFFAOYSA-N 1 0 203.245 1.544 10 0 BDAERO COc1ccccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170863664 175317680 /nfs/dbraw/zinc/31/76/80/175317680.db2.gz RFVBSSGOSYULTP-LLVKDONJSA-N 1 0 248.326 1.471 10 0 BDAERO COc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038049316 175318604 /nfs/dbraw/zinc/31/86/04/175318604.db2.gz OJSBKXGLPZYVNQ-NWDGAFQWSA-N 1 0 248.326 1.695 10 0 BDAERO COc1ccccc1CC(=O)C(C)(C)[NH3+] ZINC000082377969 175320661 /nfs/dbraw/zinc/32/06/61/175320661.db2.gz FCVLROCNBVRJHD-UHFFFAOYSA-N 1 0 207.273 1.544 10 0 BDAERO COc1ccccc1CC(=O)[C@H]1CCC[NH2+]C1 ZINC000041260725 175321525 /nfs/dbraw/zinc/32/15/25/175321525.db2.gz JSSCWKNOZMQGEI-LBPRGKRZSA-N 1 0 233.311 1.806 10 0 BDAERO COc1ccccc1C[C@@H](O)[C@@H]1CCC[NH2+]1 ZINC000041237407 175332496 /nfs/dbraw/zinc/33/24/96/175332496.db2.gz GRHBIHILGWTKLE-NWDGAFQWSA-N 1 0 221.300 1.351 10 0 BDAERO COc1ccccc1N(C)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104219244 175334690 /nfs/dbraw/zinc/33/46/90/175334690.db2.gz GMALLPVCJIAISG-MNOVXSKESA-N 1 0 248.326 1.514 10 0 BDAERO COc1ccccc1Cn1cc(CC[NH3+])cn1 ZINC000054740895 175335153 /nfs/dbraw/zinc/33/51/53/175335153.db2.gz MRRDPLQKDKAWRD-UHFFFAOYSA-N 1 0 231.299 1.441 10 0 BDAERO COc1ccccc1N1CC[NH2+]C[C@@H](C)C1 ZINC000049660829 175335605 /nfs/dbraw/zinc/33/56/05/175335605.db2.gz KCVFUWSBHCQWMC-LLVKDONJSA-N 1 0 220.316 1.741 10 0 BDAERO COc1ccccc1N(C)C[C@H](C)C[NH3+] ZINC000049814323 175336250 /nfs/dbraw/zinc/33/62/50/175336250.db2.gz PXXHNYUHTSPIAR-SNVBAGLBSA-N 1 0 208.305 1.726 10 0 BDAERO COc1ccccc1OC[C@@](C)(C[NH3+])N(C)C ZINC000019667439 175341263 /nfs/dbraw/zinc/34/12/63/175341263.db2.gz IZNQLNOBWGMEGX-CYBMUJFWSA-N 1 0 238.331 1.353 10 0 BDAERO COc1ccccc1O[C@H]1COCC[C@H]1[NH3+] ZINC000036305831 175342452 /nfs/dbraw/zinc/34/24/52/175342452.db2.gz RLESZIBZQLDCMH-SKDRFNHKSA-N 1 0 223.272 1.190 10 0 BDAERO COc1ccccc1[C@@H](O)[C@H]1CCC[NH2+]1 ZINC000032011724 175347708 /nfs/dbraw/zinc/34/77/08/175347708.db2.gz JIPVTLLSVWMZRP-ZYHUDNBSSA-N 1 0 207.273 1.481 10 0 BDAERO COc1ccccc1[C@H]([C@H](C)[NH3+])n1ccnc1 ZINC000043098668 175353954 /nfs/dbraw/zinc/35/39/54/175353954.db2.gz NMGWJQUUZJCFQE-GWCFXTLKSA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])n1ccnc1 ZINC000043098670 175354487 /nfs/dbraw/zinc/35/44/87/175354487.db2.gz NMGWJQUUZJCFQE-MFKMUULPSA-N 1 0 231.299 1.828 10 0 BDAERO COc1cncc(N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000034146794 175386845 /nfs/dbraw/zinc/38/68/45/175386845.db2.gz YONFMTQFKOOPLD-ZDUSSCGKSA-N 1 0 233.315 1.280 10 0 BDAERO CS(=O)(=O)CC[C@H]1CCCCC[C@H]1[NH3+] ZINC000043650279 175423933 /nfs/dbraw/zinc/42/39/33/175423933.db2.gz KVIXHWNSXBELLE-NXEZZACHSA-N 1 0 219.350 1.329 10 0 BDAERO CSC[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000055229675 175526303 /nfs/dbraw/zinc/52/63/03/175526303.db2.gz CNKWCEWBKBTWLS-VIFPVBQESA-N 1 0 225.313 1.821 10 0 BDAERO CSc1nccnc1CN1CCC[C@@H]1C[NH3+] ZINC000095071916 175590535 /nfs/dbraw/zinc/59/05/35/175590535.db2.gz YQKYVYUPLJYKAA-SECBINFHSA-N 1 0 238.360 1.122 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)C1CC[NH2+]CC1 ZINC000069668263 175655045 /nfs/dbraw/zinc/65/50/45/175655045.db2.gz OPHILHGSYVLMLP-VIFPVBQESA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H](CCC[NH3+])C(=O)NCc1ccco1 ZINC000076584975 175665199 /nfs/dbraw/zinc/66/51/99/175665199.db2.gz UTCWPWRFNQTMLS-VIFPVBQESA-N 1 0 210.277 1.271 10 0 BDAERO C[C@@H](C[NH3+])COc1ccc2c(c1)OCO2 ZINC000036679175 175708513 /nfs/dbraw/zinc/70/85/13/175708513.db2.gz CVQVKOUMMIHXRD-QMMMGPOBSA-N 1 0 209.245 1.389 10 0 BDAERO C[C@@H](C[NH3+])N1CCCN(Cc2ccccc2)C1=O ZINC000096963560 175709561 /nfs/dbraw/zinc/70/95/61/175709561.db2.gz PNMVYUYXYJVEHB-LBPRGKRZSA-N 1 0 247.342 1.662 10 0 BDAERO C[C@@H](C[NH3+])c1noc(-c2cccc(F)c2)n1 ZINC000054158761 175713473 /nfs/dbraw/zinc/71/34/73/175713473.db2.gz JVRRDHZMJYIKPH-ZETCQYMHSA-N 1 0 221.235 1.938 10 0 BDAERO C[C@@H]([NH3+])Cc1cccc(OC[C@H]2CCOC2)c1 ZINC000049689935 175807023 /nfs/dbraw/zinc/80/70/23/175807023.db2.gz XAMHVESMQYEYQP-YPMHNXCESA-N 1 0 235.327 1.992 10 0 BDAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1C)c1ccccc1 ZINC000042904427 175812971 /nfs/dbraw/zinc/81/29/71/175812971.db2.gz QENPXWWBFKFMGM-SCZZXKLOSA-N 1 0 249.343 1.391 10 0 BDAERO C[C@@H]([NH2+]CC1CCCCC1)C(=O)N(C)C ZINC000037249334 175870131 /nfs/dbraw/zinc/87/01/31/175870131.db2.gz OPDBRLJIMADPPT-SNVBAGLBSA-N 1 0 212.337 1.633 10 0 BDAERO C[C@@H]([NH2+]CCc1ccccc1)C(=O)NC1CC1 ZINC000020307534 175884879 /nfs/dbraw/zinc/88/48/79/175884879.db2.gz NXGNKMLISQQZIT-LLVKDONJSA-N 1 0 232.327 1.486 10 0 BDAERO C[C@@H](O)c1ncc(C[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000292835726 176000871 /nfs/dbraw/zinc/00/08/71/176000871.db2.gz RRRXKCIIZFLFFA-NQMVMOMDSA-N 1 0 242.344 1.463 10 0 BDAERO C[C@@H](OC[C@H]1CCC[NH2+]1)c1nccs1 ZINC000095068503 176002843 /nfs/dbraw/zinc/00/28/43/176002843.db2.gz MCAGVHCMQNFRRY-RKDXNWHRSA-N 1 0 212.318 1.973 10 0 BDAERO C[C@@H](OC[C@H]1CCC[NH2+]C1)C(=O)N1CCCC1 ZINC000051815247 176003488 /nfs/dbraw/zinc/00/34/88/176003488.db2.gz DJONMUDBDAVNHZ-NEPJUHHUSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)N(C)Cc1ccc(F)cc1 ZINC000042437018 176011340 /nfs/dbraw/zinc/01/13/40/176011340.db2.gz IDVCROSTYCVIPV-ZJUUUORDSA-N 1 0 210.296 1.993 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)N(C)Cc1ccccc1F ZINC000042436782 176011344 /nfs/dbraw/zinc/01/13/44/176011344.db2.gz JURVVBIUACMBMC-ZJUUUORDSA-N 1 0 210.296 1.993 10 0 BDAERO C[C@@H](c1ccc(C[NH3+])cc1)n1cnnc1 ZINC000051332703 176014366 /nfs/dbraw/zinc/01/43/66/176014366.db2.gz CFKFGFCISJGJPA-VIFPVBQESA-N 1 0 202.261 1.346 10 0 BDAERO C[C@@H](c1ccccc1Cl)N1CC[C@@H]([NH3+])C1=O ZINC000049659872 176025374 /nfs/dbraw/zinc/02/53/74/176025374.db2.gz HJYWYZFGOCVZLQ-GZMMTYOYSA-N 1 0 238.718 1.961 10 0 BDAERO C[C@@H](c1cnccn1)N(C)C[C@@H]1CC[NH2+]C1 ZINC000095068236 176035965 /nfs/dbraw/zinc/03/59/65/176035965.db2.gz IXNUMGCTEHUPGX-WDEREUQCSA-N 1 0 220.320 1.079 10 0 BDAERO C[C@@H]1CC(=O)N(Cc2ccc(C[NH3+])cc2)C1=O ZINC000038051803 176048533 /nfs/dbraw/zinc/04/85/33/176048533.db2.gz HMINJZSWZKQGTP-SECBINFHSA-N 1 0 232.283 1.040 10 0 BDAERO C[C@@H]1CCCCN1c1nc(C[NH3+])cs1 ZINC000070628753 176075226 /nfs/dbraw/zinc/07/52/26/176075226.db2.gz HRHCZVGWXMKKBE-MRVPVSSYSA-N 1 0 211.334 1.981 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1ccc(N)n1 ZINC000071378140 176078453 /nfs/dbraw/zinc/07/84/53/176078453.db2.gz COCVLRFYIIESAE-NEPJUHHUSA-N 1 0 236.363 1.976 10 0 BDAERO C[C@@H]1CCCC[C@@H]1Oc1nccnc1C[NH3+] ZINC000054378514 176083046 /nfs/dbraw/zinc/08/30/46/176083046.db2.gz AOTMRUVECCZFGO-KOLCDFICSA-N 1 0 221.304 1.893 10 0 BDAERO C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054290503 176092355 /nfs/dbraw/zinc/09/23/55/176092355.db2.gz LOGSIDOEKLXXOF-NEPJUHHUSA-N 1 0 224.348 1.635 10 0 BDAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019265012 176102646 /nfs/dbraw/zinc/10/26/46/176102646.db2.gz KIZSJRADCYCJDP-YPMHNXCESA-N 1 0 219.332 1.813 10 0 BDAERO C[C@@H]1CCCN([C@]2(C[NH3+])CC[N@@H+](C3CC3)C2)C1 ZINC000061990020 176103646 /nfs/dbraw/zinc/10/36/46/176103646.db2.gz SIJPBLFDFIDMLP-OCCSQVGLSA-N 1 0 237.391 1.284 10 0 BDAERO C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1N ZINC000051326631 176108526 /nfs/dbraw/zinc/10/85/26/176108526.db2.gz CCRCTHPMFNPYGK-MFKMUULPSA-N 1 0 220.316 1.787 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N(C)C1CCCC1 ZINC000051792543 176112640 /nfs/dbraw/zinc/11/26/40/176112640.db2.gz BIEOSGYUEGPLMH-ZYHUDNBSSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@@H]1CCC[C@@](C[NH3+])(N2CCOCC2)C1 ZINC000019511837 176133406 /nfs/dbraw/zinc/13/34/06/176133406.db2.gz ZGOOFFOWCCIXBX-VXGBXAGGSA-N 1 0 212.337 1.226 10 0 BDAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cnc[nH]2)C1 ZINC000054765353 176134308 /nfs/dbraw/zinc/13/43/08/176134308.db2.gz DRBFMKLTIBNZQG-ZYHUDNBSSA-N 1 0 223.320 1.441 10 0 BDAERO C[C@@H]1CCC[C@H](CNC(=O)C(C)(C)C)[NH2+]1 ZINC000051573082 176138491 /nfs/dbraw/zinc/13/84/91/176138491.db2.gz KFTDCTKSGQLOSN-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncccc1F ZINC000335657224 176185713 /nfs/dbraw/zinc/18/57/13/176185713.db2.gz OWMQTFYUBVFCCG-SCZZXKLOSA-N 1 0 209.268 1.631 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC1Cc2ccccc2C1 ZINC000232681255 487632804 /nfs/dbraw/zinc/63/28/04/487632804.db2.gz SCNBUXYGEGYUJU-AWEZNQCLSA-N 1 0 246.354 1.643 10 0 BDAERO C[C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000335299405 176251690 /nfs/dbraw/zinc/25/16/90/176251690.db2.gz QGYMSRSQNRFHQQ-QWRGUYRKSA-N 1 0 239.363 1.426 10 0 BDAERO C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@H]1[NH3+] ZINC000073654913 176253857 /nfs/dbraw/zinc/25/38/57/176253857.db2.gz IKDRTKOHLWOTMQ-ZYHUDNBSSA-N 1 0 234.299 1.855 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1[NH+](C)C ZINC000089710168 176261927 /nfs/dbraw/zinc/26/19/27/176261927.db2.gz HKJWBMYDBUEXEB-DGCLKSJQSA-N 1 0 232.327 1.709 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccccc2O)C[C@H]1[NH+](C)C ZINC000089710428 176262880 /nfs/dbraw/zinc/26/28/80/176262880.db2.gz LGATWLARFSXIJS-ZYHUDNBSSA-N 1 0 248.326 1.414 10 0 BDAERO C[C@@H]1CN(CC2([NH3+])CCCC2)CCCO1 ZINC000061934593 176284763 /nfs/dbraw/zinc/28/47/63/176284763.db2.gz WICSPDBQZMPSJW-LLVKDONJSA-N 1 0 212.337 1.369 10 0 BDAERO C[C@@H]1CN(CC2([NH3+])CCCC2)C[C@@H](C)O1 ZINC000037479566 176284904 /nfs/dbraw/zinc/28/49/04/176284904.db2.gz NLEHIOXWNLRPGT-GHMZBOCLSA-N 1 0 212.337 1.367 10 0 BDAERO C[C@@H]1CN(C[C@](C)([NH3+])C2CC2)CCCO1 ZINC000061934590 176301426 /nfs/dbraw/zinc/30/14/26/176301426.db2.gz HCUBKJXBSNKQTC-PWSUYJOCSA-N 1 0 212.337 1.225 10 0 BDAERO C[C@@H]1CN(Cc2ccnc(N)c2)C[C@@H]1[NH+](C)C ZINC000125107565 176309256 /nfs/dbraw/zinc/30/92/56/176309256.db2.gz XBZLLOZUQGSBNX-PWSUYJOCSA-N 1 0 234.347 1.046 10 0 BDAERO C[C@@H]1CN([C@H](C[NH3+])CC(C)(C)C)CCO1 ZINC000061839651 176317982 /nfs/dbraw/zinc/31/79/82/176317982.db2.gz GJXJEWBGQQRXMM-MNOVXSKESA-N 1 0 214.353 1.471 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncc(F)c1 ZINC000274320736 176324751 /nfs/dbraw/zinc/32/47/51/176324751.db2.gz CTGXUWODAVTENR-RISCZKNCSA-N 1 0 249.333 1.889 10 0 BDAERO C[C@@H]1C[NH2+]CCN(CCc2ccncc2)C1 ZINC000049662224 176325492 /nfs/dbraw/zinc/32/54/92/176325492.db2.gz YBEJPVLKTZJIQY-GFCCVEGCSA-N 1 0 219.332 1.165 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ccccn2)no1 ZINC000104228504 176329124 /nfs/dbraw/zinc/32/91/24/176329124.db2.gz LSHPJFBRPNLOEB-BDAKNGLRSA-N 1 0 230.271 1.455 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(Cc2ccccn2)no1 ZINC000104204852 176330348 /nfs/dbraw/zinc/33/03/48/176330348.db2.gz RPODTDQIMFMHDE-MWLCHTKSSA-N 1 0 244.298 1.378 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]2[C@@H](CCC[C@@H]2C(N)=S)C1 ZINC000169314360 176330894 /nfs/dbraw/zinc/33/08/94/176330894.db2.gz QUFYHBBBLZABOV-AATLWQCWSA-N 1 0 212.362 1.687 10 0 BDAERO C[C@@]([NH3+])(C(=O)Nc1nccs1)C1CC1 ZINC000037478689 176511122 /nfs/dbraw/zinc/51/11/22/176511122.db2.gz NRZSZVWJMOGNPI-VIFPVBQESA-N 1 0 211.290 1.209 10 0 BDAERO C[C@@](O)(CC[NH3+])c1ccc(F)cc1F ZINC000082638875 176516551 /nfs/dbraw/zinc/51/65/51/176516551.db2.gz AZNNZBDGXMOBJW-SNVBAGLBSA-N 1 0 201.216 1.521 10 0 BDAERO C[C@H](C(=O)NC1C(C)(C)C1(C)C)C1C[NH2+]C1 ZINC000129308533 176568256 /nfs/dbraw/zinc/56/82/56/176568256.db2.gz QJVUURPALKGBEA-QMMMGPOBSA-N 1 0 224.348 1.393 10 0 BDAERO C[C@H](C1CCCCC1)N1CC[C@@H]([NH3+])C1=O ZINC000052340402 176595416 /nfs/dbraw/zinc/59/54/16/176595416.db2.gz PGLOXGHMXKGDFM-MWLCHTKSSA-N 1 0 210.321 1.515 10 0 BDAERO C[C@H](CCC[NH3+])n1cc(Br)cn1 ZINC000052577516 176620798 /nfs/dbraw/zinc/62/07/98/176620798.db2.gz RFSNQCLYHCYDQY-SSDOTTSWSA-N 1 0 232.125 1.946 10 0 BDAERO C[C@H](CCNC(=O)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000062117011 176630323 /nfs/dbraw/zinc/63/03/23/176630323.db2.gz FQSHSZZEBZCMDW-OCCSQVGLSA-N 1 0 246.354 1.906 10 0 BDAERO C[C@H](C[NH3+])CN(C)c1ncccc1Cl ZINC000042455673 176658485 /nfs/dbraw/zinc/65/84/85/176658485.db2.gz WJDJFHAZIRBVSQ-MRVPVSSYSA-N 1 0 213.712 1.766 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000042970595 176766091 /nfs/dbraw/zinc/76/60/91/176766091.db2.gz DNXWXFZYSBHUDU-GWCFXTLKSA-N 1 0 238.306 1.546 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000036897169 176770412 /nfs/dbraw/zinc/77/04/12/176770412.db2.gz PXIZPHRVONHBOG-WKEGUHRASA-N 1 0 243.690 1.492 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCO1 ZINC000035735114 176809881 /nfs/dbraw/zinc/80/98/81/176809881.db2.gz WDEBYZFFSZBQJJ-KXNHARMFSA-N 1 0 240.347 1.058 10 0 BDAERO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C(C)(C)C ZINC000336663374 177008391 /nfs/dbraw/zinc/00/83/91/177008391.db2.gz BRTGKDHWVDJRPO-SDDRHHMPSA-N 1 0 229.364 1.629 10 0 BDAERO C[C@H](O)[C@H]([NH3+])c1nc2c(cccc2F)[nH]1 ZINC000037442372 177013968 /nfs/dbraw/zinc/01/39/68/177013968.db2.gz RCEFOTZYWXNSFU-XNCJUZBTSA-N 1 0 209.224 1.083 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)C(C)(C)[NH3+] ZINC000049547211 177018124 /nfs/dbraw/zinc/01/81/24/177018124.db2.gz HVHXHZIWCLWDQY-QMMMGPOBSA-N 1 0 222.288 1.416 10 0 BDAERO C[C@H]([NH3+])c1cccc(O[C@@H](C)C(=O)N(C)C)c1 ZINC000020419819 177024161 /nfs/dbraw/zinc/02/41/61/177024161.db2.gz GLRVYRBCASFQAW-UWVGGRQHSA-N 1 0 236.315 1.562 10 0 BDAERO C[C@H]([C@@H]([NH3+])c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000075429656 177031188 /nfs/dbraw/zinc/03/11/88/177031188.db2.gz PQFPUVTWQNGKTL-LHLIQPBNSA-N 1 0 249.282 1.398 10 0 BDAERO C[C@H]([C@H]1COc2ccccc2O1)[NH+](C)C ZINC000137916315 177031557 /nfs/dbraw/zinc/03/15/57/177031557.db2.gz KMGDYWOLQIXFAK-BXKDBHETSA-N 1 0 207.273 1.777 10 0 BDAERO C[C@H](c1cccc(N)c1)[N@@H+]1CCC[C@H](O)C1 ZINC000040908203 177036730 /nfs/dbraw/zinc/03/67/30/177036730.db2.gz IGMRXORAQPSFIV-MFKMUULPSA-N 1 0 220.316 1.787 10 0 BDAERO C[C@H](c1cccc(Cl)c1)n1nnnc1C[NH3+] ZINC000054747751 177036789 /nfs/dbraw/zinc/03/67/89/177036789.db2.gz PLQPELGRMGOZSL-SSDOTTSWSA-N 1 0 237.694 1.395 10 0 BDAERO C[C@H](c1cccc(O)c1)N1CC[NH2+]CC1 ZINC000033426852 177037871 /nfs/dbraw/zinc/03/78/71/177037871.db2.gz YZUSWDAMPSWQQB-SNVBAGLBSA-N 1 0 206.289 1.358 10 0 BDAERO C[C@H](c1ccccc1)[C@H](C[NH3+])N1CCOCC1 ZINC000040240711 177040676 /nfs/dbraw/zinc/04/06/76/177040676.db2.gz JTYOBIFOTRXMRY-OCCSQVGLSA-N 1 0 234.343 1.450 10 0 BDAERO C[C@H](c1cccs1)N1C[C@H]([NH3+])CC1=O ZINC000035737307 177049771 /nfs/dbraw/zinc/04/97/71/177049771.db2.gz CTLIAIVYYNWGEB-HTQZYQBOSA-N 1 0 210.302 1.369 10 0 BDAERO C[C@H](c1cnccn1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095068227 177051646 /nfs/dbraw/zinc/05/16/46/177051646.db2.gz HOVQNNDWSVBKSG-VXGBXAGGSA-N 1 0 234.347 1.469 10 0 BDAERO C[C@H](c1ccncc1)N1CCCC[C@@H]1C[NH3+] ZINC000044539553 177051848 /nfs/dbraw/zinc/05/18/48/177051848.db2.gz OJODNIDJVRDYJB-DGCLKSJQSA-N 1 0 219.332 1.956 10 0 BDAERO C[C@H](c1nccs1)N(C)C[C@@H]1CC[NH2+]C1 ZINC000095068239 177054363 /nfs/dbraw/zinc/05/43/63/177054363.db2.gz QIPBCQADTVKWCS-NXEZZACHSA-N 1 0 225.361 1.745 10 0 BDAERO C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N2CCOCC2)C1 ZINC000019435791 177063880 /nfs/dbraw/zinc/06/38/80/177063880.db2.gz YNXXLWSDNICBRK-JSGCOSHPSA-N 1 0 240.391 1.862 10 0 BDAERO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)C=CC1=O ZINC000019972222 177075810 /nfs/dbraw/zinc/07/58/10/177075810.db2.gz PAQPMAZOYCILNC-NSHDSACASA-N 1 0 236.315 1.176 10 0 BDAERO C[C@H]1CCC[N@@H+](C2(CN)CCOCC2)C1 ZINC000036304789 177095959 /nfs/dbraw/zinc/09/59/59/177095959.db2.gz ZWDOIUCOUPCZAX-NSHDSACASA-N 1 0 212.337 1.226 10 0 BDAERO C[C@H]1CCC[N@@H+]([C@]2(CN)CCCSC2)C1 ZINC000061589850 177105585 /nfs/dbraw/zinc/10/55/85/177105585.db2.gz FFZYJOWPMVUILD-RYUDHWBXSA-N 1 0 228.405 1.943 10 0 BDAERO C[C@H]1CCC[C@H](Oc2ccc(C[NH3+])nn2)C1 ZINC000051542255 177139406 /nfs/dbraw/zinc/13/94/06/177139406.db2.gz VQMABZRBJPJUBM-ONGXEEELSA-N 1 0 221.304 1.893 10 0 BDAERO C[C@H]1CCN(C(=O)C2([NH3+])CCCC2)[C@@H](C)C1 ZINC000051732998 177146488 /nfs/dbraw/zinc/14/64/88/177146488.db2.gz UVOSRZVNXQKYSZ-QWRGUYRKSA-N 1 0 224.348 1.905 10 0 BDAERO C[C@H]1CC[C@@H](N)C[N@@H+]1CC1CCOCC1 ZINC000052175002 177191120 /nfs/dbraw/zinc/19/11/20/177191120.db2.gz SZZJXARLYXYKJQ-CMPLNLGQSA-N 1 0 212.337 1.225 10 0 BDAERO C[C@H]1CC[C@H](C(=O)N(C)C2CCCC2)C[NH2+]1 ZINC000037092991 177196324 /nfs/dbraw/zinc/19/63/24/177196324.db2.gz ZYDKALNJBWZMGC-QWRGUYRKSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@H]1CCc2nc([C@H]([NH3+])CO)sc2C1 ZINC000083347071 177209888 /nfs/dbraw/zinc/20/98/88/177209888.db2.gz OXTOMOKNFUOLHQ-NKWVEPMBSA-N 1 0 212.318 1.260 10 0 BDAERO C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1[NH3+] ZINC000235654949 177225645 /nfs/dbraw/zinc/22/56/45/177225645.db2.gz BVQQQHQGIANREX-XPUUQOCRSA-N 1 0 227.695 1.087 10 0 BDAERO C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cn[nH]c1 ZINC000216416620 177238714 /nfs/dbraw/zinc/23/87/14/177238714.db2.gz GHCXEMQIRXBZSB-NHCYSSNCSA-N 1 0 222.336 1.228 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1C1(C[NH3+])CCCC1 ZINC000035783556 177240443 /nfs/dbraw/zinc/24/04/43/177240443.db2.gz MHUZOZIRJVELMG-MNOVXSKESA-N 1 0 212.337 1.367 10 0 BDAERO C[C@@H](O)CN1CC[N@@H+](C2CCCC2)C[C@@H]1C ZINC000120090143 177241580 /nfs/dbraw/zinc/24/15/80/177241580.db2.gz OPXZMFPGXFYYII-NWDGAFQWSA-N 1 0 226.364 1.316 10 0 BDAERO C[C@H]1CN(CC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000037479565 177244937 /nfs/dbraw/zinc/24/49/37/177244937.db2.gz NLEHIOXWNLRPGT-QWRGUYRKSA-N 1 0 212.337 1.367 10 0 BDAERO C[C@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CCS1 ZINC000308851680 177259226 /nfs/dbraw/zinc/25/92/26/177259226.db2.gz RLHTXXLBLBOWKY-YUMQZZPRSA-N 1 0 243.294 1.737 10 0 BDAERO C[C@H]1CN(Cc2ccccc2C(N)=[NH2+])CCO1 ZINC000019513771 177266742 /nfs/dbraw/zinc/26/67/42/177266742.db2.gz IBJAHKSEKASHLD-JTQLQIEISA-N 1 0 233.315 1.191 10 0 BDAERO C[C@H]1C[N@@H+]([C@H](CN)CC(C)(C)C)CCCO1 ZINC000061916051 177276632 /nfs/dbraw/zinc/27/66/32/177276632.db2.gz FCJBDABWYKTHSK-RYUDHWBXSA-N 1 0 228.380 1.861 10 0 BDAERO C[C@H](c1nccs1)N1CC[NH2+]C[C@@H]1C ZINC000100257091 177284897 /nfs/dbraw/zinc/28/48/97/177284897.db2.gz ONHBGHVSIPOVLY-DTWKUNHWSA-N 1 0 211.334 1.498 10 0 BDAERO C[C@@H]([NH3+])c1cnc(N2CCO[C@@H](C)C2)s1 ZINC000054864335 177278462 /nfs/dbraw/zinc/27/84/62/177278462.db2.gz FQKTUUNOFJFHCK-JGVFFNPUSA-N 1 0 227.333 1.388 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCc1ccccn1 ZINC000247316000 177280924 /nfs/dbraw/zinc/28/09/24/177280924.db2.gz OIZOOTMMVCQNAW-ZFWWWQNUSA-N 1 0 245.370 1.793 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccoc1 ZINC000022931318 177281068 /nfs/dbraw/zinc/28/10/68/177281068.db2.gz MRBHYZJKKSJHFW-WCQYABFASA-N 1 0 220.316 1.948 10 0 BDAERO C[C@H]1C[NH+]=C(NC[C@H]2CCOC2)S1 ZINC000061147016 177282102 /nfs/dbraw/zinc/28/21/02/177282102.db2.gz FJRKHZONQJCJDT-JGVFFNPUSA-N 1 0 200.307 1.104 10 0 BDAERO C[C@H]1C[NH2+]CCN(c2ccccc2F)C1 ZINC000049661434 177282548 /nfs/dbraw/zinc/28/25/48/177282548.db2.gz IZGHAJQFUVSATD-JTQLQIEISA-N 1 0 208.280 1.871 10 0 BDAERO C[C@H]1C[NH2+]CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000061675038 177283177 /nfs/dbraw/zinc/28/31/77/177283177.db2.gz GTUTWMINMOXCIY-NSHDSACASA-N 1 0 248.326 1.457 10 0 BDAERO C[C@H]1C[NH2+]C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000238854802 177285865 /nfs/dbraw/zinc/28/58/65/177285865.db2.gz PLLIFPFHFHXRNX-CABZTGNLSA-N 1 0 228.336 1.757 10 0 BDAERO C[C@H]1COCCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000035778280 177290226 /nfs/dbraw/zinc/29/02/26/177290226.db2.gz DGODRXBMPIOOQZ-JTQLQIEISA-N 1 0 249.314 1.398 10 0 BDAERO C[C@@H]([NH3+])c1cnc(N2CCOC[C@@H]2C)s1 ZINC000054895611 177293737 /nfs/dbraw/zinc/29/37/37/177293737.db2.gz HSROXWYXCOJYFZ-JGVFFNPUSA-N 1 0 227.333 1.388 10 0 BDAERO C[C@H]1COCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000307000223 177296554 /nfs/dbraw/zinc/29/65/54/177296554.db2.gz HLSUKMKXEOYSCO-IONNQARKSA-N 1 0 205.248 1.799 10 0 BDAERO C[C@H]1CSC(NC[C@H]2CCCO2)=[NH+]1 ZINC000035295108 177303290 /nfs/dbraw/zinc/30/32/90/177303290.db2.gz NLPPWUPOJNIPKC-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@H]1C[C@@H](C(=O)NCc2ccoc2)CC[NH2+]1 ZINC000235694039 177308468 /nfs/dbraw/zinc/30/84/68/177308468.db2.gz KMXJYCXTMJROHH-ONGXEEELSA-N 1 0 222.288 1.284 10 0 BDAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2[NH2+]CCC[C@@H]2C)C1 ZINC000051791773 177311755 /nfs/dbraw/zinc/31/17/55/177311755.db2.gz JGPNLPATBQGRDC-RNJOBUHISA-N 1 0 238.375 1.879 10 0 BDAERO C[C@H]1C[C@@H]1C[NH2+]Cc1ncccc1N(C)C ZINC000336777289 177345864 /nfs/dbraw/zinc/34/58/64/177345864.db2.gz HZURMWXIVQLXGF-WDEREUQCSA-N 1 0 219.332 1.893 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000183557034 177349259 /nfs/dbraw/zinc/34/92/59/177349259.db2.gz PEKBAXMCIBGBDX-WPRPVWTQSA-N 1 0 219.288 1.286 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000052272716 177350086 /nfs/dbraw/zinc/35/00/86/177350086.db2.gz HZDXESCZTXDYKM-GWCFXTLKSA-N 1 0 228.299 1.765 10 0 BDAERO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341464267 177363811 /nfs/dbraw/zinc/36/38/11/177363811.db2.gz PUFVZFNIWRQZSR-RKQHYHRCSA-N 1 0 240.391 1.730 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C[C@H](C)O1 ZINC000309807338 177370155 /nfs/dbraw/zinc/37/01/55/177370155.db2.gz SNPVMFAMTNWODN-BIYIIWIQSA-N 1 0 225.332 1.424 10 0 BDAERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(=O)n(C)c1 ZINC000037785799 177371617 /nfs/dbraw/zinc/37/16/17/177371617.db2.gz MZZDSQHTBKAGKW-MDZLAQPJSA-N 1 0 249.358 1.526 10 0 BDAERO C[C@H]1C[C@H]1C[N@H+](C)CC(=O)Nc1ccccc1N ZINC000104412030 177378519 /nfs/dbraw/zinc/37/85/19/177378519.db2.gz HHAZJVLYSYMAIY-QWRGUYRKSA-N 1 0 247.342 1.795 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103320903 177383462 /nfs/dbraw/zinc/38/34/62/177383462.db2.gz 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JIGMXYDLXNKBGV-HUUCEWRRSA-N 1 0 249.354 1.393 10 0 BDAERO Cn1c[n+](-c2ccccn2)c2ccccc21 ZINC000005330486 177501388 /nfs/dbraw/zinc/50/13/88/177501388.db2.gz GUOAJZAAJKBMES-UHFFFAOYSA-N 1 0 210.260 1.850 10 0 BDAERO Cc1[nH]c2ccccc2c1[C@@H]([NH3+])CCO ZINC000071509054 177516232 /nfs/dbraw/zinc/51/62/32/177516232.db2.gz SWCITABYUYAHNU-JTQLQIEISA-N 1 0 204.273 1.859 10 0 BDAERO Cc1c(C[NH3+])cnn1[C@@H]1CCCC[C@@H]1O ZINC000054600025 177585470 /nfs/dbraw/zinc/58/54/70/177585470.db2.gz NPJGFRCKRZKIEG-MNOVXSKESA-N 1 0 209.293 1.126 10 0 BDAERO Cc1c(N)cccc1NC[C@@H](C)[NH+](C)C ZINC000062725242 177613705 /nfs/dbraw/zinc/61/37/05/177613705.db2.gz ACUOBYZTNVEPSE-SECBINFHSA-N 1 0 207.321 1.939 10 0 BDAERO CCc1nn(C)cc1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400526885 226345859 /nfs/dbraw/zinc/34/58/59/226345859.db2.gz QIVZOQYESRLYHQ-NXEZZACHSA-N 1 0 222.336 1.392 10 0 BDAERO CO[C@H](C[N@@H+]1C[C@H](C)C[C@@H](O)C1)C1CC1 ZINC000401848071 226362322 /nfs/dbraw/zinc/36/23/22/226362322.db2.gz SXEUICLMVCKJPS-YUSALJHKSA-N 1 0 213.321 1.114 10 0 BDAERO Cc1cc(CO)cc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000228450752 487652625 /nfs/dbraw/zinc/65/26/25/487652625.db2.gz WQPLCUZHUJVCAA-CYBMUJFWSA-N 1 0 247.342 1.167 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000674972605 487662414 /nfs/dbraw/zinc/66/24/14/487662414.db2.gz UAFTZWAYJKUTEC-WOPDTQHZSA-N 1 0 241.379 1.767 10 0 BDAERO CC(C)c1nsc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000087655387 487675377 /nfs/dbraw/zinc/67/53/77/487675377.db2.gz SWLFDXAURAGCLX-MRVPVSSYSA-N 1 0 226.349 1.683 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000205526725 487678503 /nfs/dbraw/zinc/67/85/03/487678503.db2.gz AXERYGALENANRB-NWDGAFQWSA-N 1 0 226.364 1.316 10 0 BDAERO CC[C@H]([NH3+])CNc1ncnc2onc(C)c21 ZINC000082579284 487681369 /nfs/dbraw/zinc/68/13/69/487681369.db2.gz YGZJAANIZWREOP-ZETCQYMHSA-N 1 0 221.264 1.075 10 0 BDAERO CCSCCN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000308750776 487685515 /nfs/dbraw/zinc/68/55/15/487685515.db2.gz PICZWGWNWQHBAM-LBPRGKRZSA-N 1 0 228.405 1.910 10 0 BDAERO CCN(CC[NH3+])c1ncnc2ccsc21 ZINC000082591956 487686287 /nfs/dbraw/zinc/68/62/87/487686287.db2.gz KONNVAFUKNNMDL-UHFFFAOYSA-N 1 0 222.317 1.476 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N(CC)[C@H](C)CC ZINC000036873177 487689768 /nfs/dbraw/zinc/68/97/68/487689768.db2.gz YAOPSZFIUFLZCD-NXEZZACHSA-N 1 0 200.326 1.761 10 0 BDAERO COc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccn1 ZINC000384084748 487691557 /nfs/dbraw/zinc/69/15/57/487691557.db2.gz UEQWPOVXHJQWKK-DTWKUNHWSA-N 1 0 235.287 1.156 10 0 BDAERO Cc1cnn(CC[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1 ZINC000398769726 262769619 /nfs/dbraw/zinc/76/96/19/262769619.db2.gz KHDDJXDAHFEMQA-IHRRRGAJSA-N 1 0 249.358 1.284 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@@H](C)[NH2+]C ZINC000395938484 262794778 /nfs/dbraw/zinc/79/47/78/262794778.db2.gz DGYUHUHVAACNEK-MRVPVSSYSA-N 1 0 201.314 1.082 10 0 BDAERO CC[C@H](COC)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396540501 262805426 /nfs/dbraw/zinc/80/54/26/262805426.db2.gz AIYOKZYJQVZLJU-GMTAPVOTSA-N 1 0 200.326 1.142 10 0 BDAERO [NH3+]C1CCC(C(=O)NCc2cscn2)CC1 ZINC000082626649 487698822 /nfs/dbraw/zinc/69/88/22/487698822.db2.gz NQFMBOXKAJOFLT-UHFFFAOYSA-N 1 0 239.344 1.277 10 0 BDAERO C[N@H+](CCCCCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000394532803 487706644 /nfs/dbraw/zinc/70/66/44/487706644.db2.gz RUJXNBLMHPMVTC-CHWSQXEVSA-N 1 0 229.364 1.632 10 0 BDAERO C[C@@H]1C[NH+]([C@@H]2CCC[C@H]2O)C[C@@H](C)S1 ZINC000226287110 487707181 /nfs/dbraw/zinc/70/71/81/487707181.db2.gz DOUSFPGGBBRTIG-GWOFURMSSA-N 1 0 215.362 1.726 10 0 BDAERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000054306055 487713975 /nfs/dbraw/zinc/71/39/75/487713975.db2.gz DVMFJTBPZNBUTD-RYUDHWBXSA-N 1 0 247.342 1.649 10 0 BDAERO C[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](O)C2)C[C@H](C)N1C ZINC000328573518 487716145 /nfs/dbraw/zinc/71/61/45/487716145.db2.gz VYSIOIZYLMPFCF-CRWXNKLISA-N 1 0 240.391 1.562 10 0 BDAERO CCCN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000249734643 487723137 /nfs/dbraw/zinc/72/31/37/487723137.db2.gz APPQCVRDNFNJLB-YVECIDJPSA-N 1 0 236.359 1.633 10 0 BDAERO C[C@H](O)C[C@H](C)CNC(=O)C1CCC([NH3+])CC1 ZINC000398655307 487724846 /nfs/dbraw/zinc/72/48/46/487724846.db2.gz ZTJUCVCQFLVFGX-JYBOHDQNSA-N 1 0 242.363 1.027 10 0 BDAERO CCOCC[N@H+](CC)C[C@H]1CCC[C@@H](O)C1 ZINC000309807353 487725059 /nfs/dbraw/zinc/72/50/59/487725059.db2.gz XZPAKYSQEYMLMB-QWHCGFSZSA-N 1 0 229.364 1.896 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ncc(C)s1 ZINC000226405744 487736464 /nfs/dbraw/zinc/73/64/64/487736464.db2.gz OPBWREYBYDJOKZ-OIBJUYFYSA-N 1 0 241.360 1.441 10 0 BDAERO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250625165 487736595 /nfs/dbraw/zinc/73/65/95/487736595.db2.gz PYOWKPFKDQEILE-USZNOCQGSA-N 1 0 222.332 1.243 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc([C@H]2CCCO2)no1 ZINC000250677208 487739426 /nfs/dbraw/zinc/73/94/26/487739426.db2.gz WWWIULZWQKCSQT-LPEHRKFASA-N 1 0 237.303 1.764 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000250854374 487742395 /nfs/dbraw/zinc/74/23/95/487742395.db2.gz OIQZLVCJYBLKFL-JHJVBQTASA-N 1 0 244.338 1.570 10 0 BDAERO Cc1noc2ncnc(N3C[C@H](C)[NH2+]C[C@H]3C)c12 ZINC000250970824 487745277 /nfs/dbraw/zinc/74/52/77/487745277.db2.gz DIHCTUOMPKPDEF-JGVFFNPUSA-N 1 0 247.302 1.113 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)C(C)C ZINC000042588116 487761596 /nfs/dbraw/zinc/76/15/96/487761596.db2.gz ZYJXVYRAKBZVTE-VXGBXAGGSA-N 1 0 225.336 1.268 10 0 BDAERO COc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000385389700 487784519 /nfs/dbraw/zinc/78/45/19/487784519.db2.gz ZHAQSSPPOFPISK-ONGXEEELSA-N 1 0 249.314 1.404 10 0 BDAERO CC[C@H]1CN(c2ncc(Cl)cn2)CC[C@H]1[NH3+] ZINC000251905741 487806827 /nfs/dbraw/zinc/80/68/27/487806827.db2.gz XGUUUWGEVZXCEJ-WCBMZHEXSA-N 1 0 240.738 1.694 10 0 BDAERO CN(Cc1ccncc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450819 487817758 /nfs/dbraw/zinc/81/77/58/487817758.db2.gz NMUVZQHEPFZCSM-STQMWFEESA-N 1 0 247.342 1.415 10 0 BDAERO CN(Cc1cccnc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450809 487817696 /nfs/dbraw/zinc/81/76/96/487817696.db2.gz LECDUWXSJIFFIT-QWHCGFSZSA-N 1 0 247.342 1.415 10 0 BDAERO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000089462856 487823170 /nfs/dbraw/zinc/82/31/70/487823170.db2.gz HGADXMJUWRVJSC-JQWIXIFHSA-N 1 0 233.315 1.419 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)N1CCC[C@H](C)C1 ZINC000234420301 487825171 /nfs/dbraw/zinc/82/51/71/487825171.db2.gz KWMYGLCIUYEKIP-UWVGGRQHSA-N 1 0 213.325 1.036 10 0 BDAERO O=C1NCC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000676234835 487825476 /nfs/dbraw/zinc/82/54/76/487825476.db2.gz PTUBDYZOYNQYQI-VXGBXAGGSA-N 1 0 234.274 1.291 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000227372441 487825488 /nfs/dbraw/zinc/82/54/88/487825488.db2.gz SLKSTZDZBQPLGB-TUAOUCFPSA-N 1 0 222.332 1.586 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313072634 322947224 /nfs/dbraw/zinc/94/72/24/322947224.db2.gz XXKUGJHLFPGGCQ-VXGBXAGGSA-N 1 0 245.363 1.179 10 0 BDAERO COC[C@@H](C)[NH2+]CCCCCCCO ZINC000308631182 631445177 /nfs/dbraw/zinc/44/51/77/631445177.db2.gz YYOXNJRZOMJGTF-LLVKDONJSA-N 1 0 203.326 1.554 10 0 BDAERO CN(C)c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cn1 ZINC000089742097 487851350 /nfs/dbraw/zinc/85/13/50/487851350.db2.gz ULQZEGNMBSZEBX-JTQLQIEISA-N 1 0 248.330 1.086 10 0 BDAERO CC[C@H](C)[N@H+](CCO)C[C@@H]1CCCN1C ZINC000395358132 487854973 /nfs/dbraw/zinc/85/49/73/487854973.db2.gz KOZAPTYPHNUEFE-RYUDHWBXSA-N 1 0 214.353 1.173 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCCF)C[C@@H]1C ZINC000088026779 641255479 /nfs/dbraw/zinc/25/54/79/641255479.db2.gz CPMFACHJTWWRRE-IUCAKERBSA-N 1 0 203.257 1.087 10 0 BDAERO C[C@H](C[N@@H+]1C[C@@H](O)C[C@@H]1CO)C(C)(C)C ZINC000670269141 487880211 /nfs/dbraw/zinc/88/02/11/487880211.db2.gz VYDNJPRAGDRGQY-MXWKQRLJSA-N 1 0 215.337 1.096 10 0 BDAERO C[NH2+]C[C@H](C)Nc1cncc(OC(C)C)n1 ZINC000663279951 487893785 /nfs/dbraw/zinc/89/37/85/487893785.db2.gz VVVQAYHJEZOCMI-VIFPVBQESA-N 1 0 224.308 1.284 10 0 BDAERO COc1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000234956367 487896745 /nfs/dbraw/zinc/89/67/45/487896745.db2.gz GQLMFIPLTBERCC-MNOVXSKESA-N 1 0 235.331 1.890 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000164846405 487902318 /nfs/dbraw/zinc/90/23/18/487902318.db2.gz DTJPCMDIEFVWGU-JQWIXIFHSA-N 1 0 233.315 1.704 10 0 BDAERO Cc1ccnc(N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000083350066 487905031 /nfs/dbraw/zinc/90/50/31/487905031.db2.gz PMLNNFPSPHSEIY-GFCCVEGCSA-N 1 0 219.332 1.824 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)Cc1ccccc1O ZINC000157191394 487905478 /nfs/dbraw/zinc/90/54/78/487905478.db2.gz RIMKKXPQRSKWLP-VXGBXAGGSA-N 1 0 248.326 1.178 10 0 BDAERO Cc1cccc(N2CC[NH2+]C[C@H]2C(C)C)n1 ZINC000083350128 487906291 /nfs/dbraw/zinc/90/62/91/487906291.db2.gz QVYYZSAAYOVXFN-LBPRGKRZSA-N 1 0 219.332 1.824 10 0 BDAERO CCC[C@@H](C)NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000668541302 487910415 /nfs/dbraw/zinc/91/04/15/487910415.db2.gz MDQVLYYGOYZIHC-ZJUUUORDSA-N 1 0 213.325 1.308 10 0 BDAERO CCC[C@@H](C)NC(=O)NC(C)(C)CCC[NH3+] ZINC000668541877 487912335 /nfs/dbraw/zinc/91/23/35/487912335.db2.gz VYOJMLQHAFDPRP-SNVBAGLBSA-N 1 0 229.368 1.992 10 0 BDAERO CCC[C@@H](C)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000668541920 487913620 /nfs/dbraw/zinc/91/36/20/487913620.db2.gz WYXFUNMURWVVHU-MNOVXSKESA-N 1 0 227.352 1.698 10 0 BDAERO CCC[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000668541626 487913650 /nfs/dbraw/zinc/91/36/50/487913650.db2.gz RWGWOUDIPDUCPL-YIBTVLSRSA-N 1 0 239.363 1.757 10 0 BDAERO C[C@H]1C[C@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000157537647 487914444 /nfs/dbraw/zinc/91/44/44/487914444.db2.gz ZAFSNDSMQAEZHF-XEAZBWPWSA-N 1 0 210.321 1.276 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@H](C)C[C@H]1C ZINC000157809155 487922692 /nfs/dbraw/zinc/92/26/92/487922692.db2.gz FLJUZGZJFZKJTM-MXWKQRLJSA-N 1 0 212.337 1.617 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCc1ccco1 ZINC000229583062 487926484 /nfs/dbraw/zinc/92/64/84/487926484.db2.gz SROPAMXKBBBHLF-ZYHUDNBSSA-N 1 0 236.315 1.469 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000127116726 323004614 /nfs/dbraw/zinc/00/46/14/323004614.db2.gz VQBGTGLYNPJJGM-GHMZBOCLSA-N 1 0 226.320 1.748 10 0 BDAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccnc(N(C)C)n1 ZINC000165732306 323069587 /nfs/dbraw/zinc/06/95/87/323069587.db2.gz ZTJJLXWWAVVRHG-BDAKNGLRSA-N 1 0 223.324 1.080 10 0 BDAERO CCC[C@@H](C(=O)N[C@H](C)CSC)[NH+](C)C ZINC000162214467 323076524 /nfs/dbraw/zinc/07/65/24/323076524.db2.gz NRSJQGVANJDEDG-ZJUUUORDSA-N 1 0 232.393 1.584 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H](C)Oc1ccccc1 ZINC000563413735 323124884 /nfs/dbraw/zinc/12/48/84/323124884.db2.gz GAPUEZUVPURXDH-GHMZBOCLSA-N 1 0 236.315 1.178 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnccn1 ZINC000571500808 323146089 /nfs/dbraw/zinc/14/60/89/323146089.db2.gz UTQXLQCDBSKIND-DGCLKSJQSA-N 1 0 232.331 1.145 10 0 BDAERO CC(C)(C)c1cc(N2CC[NH2+]CC2)n[nH]1 ZINC000062669850 323180072 /nfs/dbraw/zinc/18/00/72/323180072.db2.gz MGUXSCZOJYKPPD-UHFFFAOYSA-N 1 0 208.309 1.117 10 0 BDAERO CC(C)c1cnc(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000308857971 323180133 /nfs/dbraw/zinc/18/01/33/323180133.db2.gz QOGGPFGCIQIPGO-DTWKUNHWSA-N 1 0 226.345 1.737 10 0 BDAERO COCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398862993 323194249 /nfs/dbraw/zinc/19/42/49/323194249.db2.gz RQXKLLAQDMNHOK-SDDRHHMPSA-N 1 0 213.321 1.116 10 0 BDAERO Cc1cnn(CC[N@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000399251695 323201981 /nfs/dbraw/zinc/20/19/81/323201981.db2.gz MTWLTTGOIMIMQK-NEPJUHHUSA-N 1 0 223.320 1.037 10 0 BDAERO CCC(C)(C)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000395934912 323268976 /nfs/dbraw/zinc/26/89/76/323268976.db2.gz BNWHCZPVIAVFKZ-SSDOTTSWSA-N 1 0 237.294 1.457 10 0 BDAERO CCc1nc(CC[NH2+]C[C@H](C)COC)no1 ZINC000309416697 323395065 /nfs/dbraw/zinc/39/50/65/323395065.db2.gz CTVXNAHHLYOBAP-VIFPVBQESA-N 1 0 227.308 1.047 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cscn1 ZINC000571896990 323501500 /nfs/dbraw/zinc/50/15/00/323501500.db2.gz NLBWGBQLJZCEHI-IWSPIJDZSA-N 1 0 239.344 1.176 10 0 BDAERO CC[C@@H](CCO)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162564269 323626817 /nfs/dbraw/zinc/62/68/17/323626817.db2.gz LPWGCHWEQCBWGI-YFKTTZPYSA-N 1 0 227.348 1.551 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000162632288 323632895 /nfs/dbraw/zinc/63/28/95/323632895.db2.gz UWUCSWHFHXEUBY-AVGNSLFASA-N 1 0 236.359 1.777 10 0 BDAERO OC1CC(C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000527816453 323700606 /nfs/dbraw/zinc/70/06/06/323700606.db2.gz OZCPNYPKCAALEL-UHFFFAOYSA-N 1 0 219.275 1.925 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCCC1CC1 ZINC000083894364 487962161 /nfs/dbraw/zinc/96/21/61/487962161.db2.gz IUWCOOAGNCAJJJ-LLVKDONJSA-N 1 0 210.321 1.292 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C(C)C ZINC000073441333 324114014 /nfs/dbraw/zinc/11/40/14/324114014.db2.gz MVXHMFLLOLRCIL-RYUDHWBXSA-N 1 0 241.379 1.814 10 0 BDAERO Cc1cc(C(=O)Nc2ccc(C[NH3+])cc2)on1 ZINC000131353782 325140459 /nfs/dbraw/zinc/14/04/59/325140459.db2.gz NNSNJRFKJSUULT-UHFFFAOYSA-N 1 0 231.255 1.694 10 0 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1 0 223.295 1.784 10 0 BDAERO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CO1 ZINC000396867775 488041856 /nfs/dbraw/zinc/04/18/56/488041856.db2.gz ZPGXAMVZZLIJKH-SRVKXCTJSA-N 1 0 227.348 1.695 10 0 BDAERO CC1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084308406 488042283 /nfs/dbraw/zinc/04/22/83/488042283.db2.gz SKUFXHUPYYWBBD-NEPJUHHUSA-N 1 0 224.348 1.620 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000084308539 488042370 /nfs/dbraw/zinc/04/23/70/488042370.db2.gz IQKOXUARCAODCI-GXSJLCMTSA-N 1 0 222.288 1.271 10 0 BDAERO CC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084310096 488043785 /nfs/dbraw/zinc/04/37/85/488043785.db2.gz DEVVJRNVGIYRDQ-VHSXEESVSA-N 1 0 212.337 1.524 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1cscn1 ZINC000084310988 488044713 /nfs/dbraw/zinc/04/47/13/488044713.db2.gz BFAJBXLZCJIACH-WPRPVWTQSA-N 1 0 239.344 1.134 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)c1cscn1 ZINC000658358267 488052203 /nfs/dbraw/zinc/05/22/03/488052203.db2.gz ZEIGHLKVQZQHIL-UEJVZZJDSA-N 1 0 212.318 1.565 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CC(C)(C)C ZINC000129021384 488067857 /nfs/dbraw/zinc/06/78/57/488067857.db2.gz UWKMUKRSCFIYDU-SNVBAGLBSA-N 1 0 214.353 1.864 10 0 BDAERO C[N@H+](CCOCC1CC1)C[C@H]1CCC[C@@H](O)C1 ZINC000310185514 488070295 /nfs/dbraw/zinc/07/02/95/488070295.db2.gz XKUVOXNWMJEFLZ-UONOGXRCSA-N 1 0 241.375 1.896 10 0 BDAERO CC(C)[C@@H](CCO)NC(=O)C1CCC([NH3+])CC1 ZINC000225444150 488078031 /nfs/dbraw/zinc/07/80/31/488078031.db2.gz CVKUQHFJEJWBGH-HTAVTVPLSA-N 1 0 242.363 1.027 10 0 BDAERO Cc1noc(C)c1[C@@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000092329763 488088137 /nfs/dbraw/zinc/08/81/37/488088137.db2.gz AHSSVFGRTZJELF-XCBNKYQSSA-N 1 0 237.303 1.078 10 0 BDAERO CC[C@@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000378667557 488098596 /nfs/dbraw/zinc/09/85/96/488098596.db2.gz HLHANIATGMJTEK-IJLUTSLNSA-N 1 0 215.337 1.695 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389500363 488099202 /nfs/dbraw/zinc/09/92/02/488099202.db2.gz 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ZINC000393979830 487496233 /nfs/dbraw/zinc/49/62/33/487496233.db2.gz LYBARJDKMIAFIY-SRVKXCTJSA-N 1 0 229.364 1.534 10 0 BDAERO O[C@H](C[NH2+]CCCCF)COCc1ccco1 ZINC000310324473 487501830 /nfs/dbraw/zinc/50/18/30/487501830.db2.gz ZXDBITVYBMTCLA-LLVKDONJSA-N 1 0 245.294 1.496 10 0 BDAERO OCCC[N@H+](C[C@H]1CCC[C@H](O)C1)C1CC1 ZINC000381299831 487504532 /nfs/dbraw/zinc/50/45/32/487504532.db2.gz HVGLZHQBGSVKAX-AAEUAGOBSA-N 1 0 227.348 1.384 10 0 BDAERO OCCN(CC(F)F)C[C@@H]1CCC[C@@H](O)C1 ZINC000381580484 487513799 /nfs/dbraw/zinc/51/37/99/487513799.db2.gz AIDKGECJBYKKJK-NXEZZACHSA-N 1 0 237.290 1.097 10 0 BDAERO OCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000381391226 487508170 /nfs/dbraw/zinc/50/81/70/487508170.db2.gz NJJYCQWZHZRSGS-FRRDWIJNSA-N 1 0 227.348 1.384 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000304492066 487508454 /nfs/dbraw/zinc/50/84/54/487508454.db2.gz BWZKHVYZUNZUDR-FVCCEPFGSA-N 1 0 224.348 1.095 10 0 BDAERO CC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000309806440 487724819 /nfs/dbraw/zinc/72/48/19/487724819.db2.gz XTPTWDJEGFJULZ-UPJWGTAASA-N 1 0 227.348 1.648 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccccc1O ZINC000157191823 487905565 /nfs/dbraw/zinc/90/55/65/487905565.db2.gz RIMKKXPQRSKWLP-RYUDHWBXSA-N 1 0 248.326 1.178 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667858585 488140738 /nfs/dbraw/zinc/14/07/38/488140738.db2.gz SYFCRRAMUTZRLO-IJLUTSLNSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@]1(C(=O)NCC[C@H]2CCCO2)CCCC[NH2+]1 ZINC000136153912 488176434 /nfs/dbraw/zinc/17/64/34/488176434.db2.gz XSRYDIQCSKUJJA-DGCLKSJQSA-N 1 0 240.347 1.204 10 0 BDAERO CCN(C[C@H]1CCCO1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136439926 488179795 /nfs/dbraw/zinc/17/97/95/488179795.db2.gz LBKIVAZTORZHBA-VXGBXAGGSA-N 1 0 242.363 1.387 10 0 BDAERO CC(C)(O)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000085574307 488185856 /nfs/dbraw/zinc/18/58/56/488185856.db2.gz VRVFKADTIHAPJE-LLVKDONJSA-N 1 0 205.301 1.687 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCC3(CCC3)CC2)C1 ZINC000308705760 488215210 /nfs/dbraw/zinc/21/52/10/488215210.db2.gz ZXTZHVDEICXIAP-RYUDHWBXSA-N 1 0 236.359 1.907 10 0 BDAERO c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398415492 488219385 /nfs/dbraw/zinc/21/93/85/488219385.db2.gz VUGBTLJFKKUUAJ-CHWSQXEVSA-N 1 0 246.354 1.752 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC1CCC1 ZINC000398665552 488221467 /nfs/dbraw/zinc/22/14/67/488221467.db2.gz JMMLMXSHRMUXRX-ONGXEEELSA-N 1 0 210.321 1.433 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H](C)CCCCO)C1 ZINC000398549587 488221690 /nfs/dbraw/zinc/22/16/90/488221690.db2.gz YVJBFUPUBCQTBB-VXGBXAGGSA-N 1 0 214.353 1.221 10 0 BDAERO C[C@@H]1C[C@H](CO)C[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000398842809 488224782 /nfs/dbraw/zinc/22/47/82/488224782.db2.gz SFLNXAZNYBTWEX-RFGFWPKPSA-N 1 0 241.375 1.488 10 0 BDAERO Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000054309070 488244780 /nfs/dbraw/zinc/24/47/80/488244780.db2.gz BZHOEWMADTZYLW-LBPRGKRZSA-N 1 0 247.342 1.396 10 0 BDAERO CC[C@@H]([NH3+])CNc1ncc(Br)cn1 ZINC000082662548 490164230 /nfs/dbraw/zinc/16/42/30/490164230.db2.gz OYSGIJKETGETRY-SSDOTTSWSA-N 1 0 245.124 1.388 10 0 BDAERO CC(C)c1cc(C(F)(F)F)nn1CC[NH3+] ZINC000409443956 490247419 /nfs/dbraw/zinc/24/74/19/490247419.db2.gz XIUQPZYKIQPDQU-UHFFFAOYSA-N 1 0 221.226 1.984 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@H](C)C[C@H]1C ZINC000253061951 490270640 /nfs/dbraw/zinc/27/06/40/490270640.db2.gz FLJUZGZJFZKJTM-GMTAPVOTSA-N 1 0 212.337 1.617 10 0 BDAERO CCn1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cn1 ZINC000217455646 490441964 /nfs/dbraw/zinc/44/19/64/490441964.db2.gz HLLVJCLQMJOFNL-CYZMBNFOSA-N 1 0 237.347 1.857 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)C1CCOCC1 ZINC000129286197 490526794 /nfs/dbraw/zinc/52/67/94/490526794.db2.gz RQWGXHBGPBMDKZ-DRZSPHRISA-N 1 0 227.348 1.552 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000300232842 490552764 /nfs/dbraw/zinc/55/27/64/490552764.db2.gz NPSVJZDKWHLVLU-GMTAPVOTSA-N 1 0 215.362 1.633 10 0 BDAERO Cn1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000085590778 491048998 /nfs/dbraw/zinc/04/89/98/491048998.db2.gz OLEDNANYVGNVSL-RYUDHWBXSA-N 1 0 208.305 1.418 10 0 BDAERO CC[C@@H](C)C[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004678 491056161 /nfs/dbraw/zinc/05/61/61/491056161.db2.gz YUWRZMYFUJAQPF-VXGBXAGGSA-N 1 0 214.353 1.343 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CCOC1 ZINC000303393972 491114907 /nfs/dbraw/zinc/11/49/07/491114907.db2.gz PARHAHGBCMWXRU-RNJOBUHISA-N 1 0 227.348 1.695 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000132634995 491137479 /nfs/dbraw/zinc/13/74/79/491137479.db2.gz AIHOPASNBMYUIC-ZDCRXTMVSA-N 1 0 201.310 1.303 10 0 BDAERO CCN1C[C@H]([NH2+]Cc2ccncc2)[C@@H](C)C1 ZINC000309445680 491148423 /nfs/dbraw/zinc/14/84/23/491148423.db2.gz JRSXBEYYCYKATH-AAEUAGOBSA-N 1 0 219.332 1.511 10 0 BDAERO CC(C)OC1CC([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000309422705 491149004 /nfs/dbraw/zinc/14/90/04/491149004.db2.gz 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Cc1cnc(CNCc2ccccn2)o1 ZINC000235957272 537908378 /nfs/dbraw/zinc/90/83/78/537908378.db2.gz HCLZOFDHMQPJHI-UHFFFAOYSA-N 1 0 203.245 1.668 10 0 BDAERO C[C@H]1C[NH2+]C[C@@]12CN(C(C)(C)C)CCC2=O ZINC000725245685 538002345 /nfs/dbraw/zinc/00/23/45/538002345.db2.gz LPCQLUWVRAXSLB-GXFFZTMASA-N 1 0 224.348 1.285 10 0 BDAERO CCOC(=O)c1cc(C)cc2c1C[NH2+]CC2 ZINC000725245827 538002424 /nfs/dbraw/zinc/00/24/24/538002424.db2.gz IPSICAGICZJYDB-UHFFFAOYSA-N 1 0 219.284 1.817 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@]12CN(C(C)(C)C)CCC2=O ZINC000725245688 538002690 /nfs/dbraw/zinc/00/26/90/538002690.db2.gz LPCQLUWVRAXSLB-ZWNOBZJWSA-N 1 0 224.348 1.285 10 0 BDAERO CC[C@@H](C)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257032 538060023 /nfs/dbraw/zinc/06/00/23/538060023.db2.gz FSMJOTJQUHCHSN-MRVPVSSYSA-N 1 0 234.307 1.108 10 0 BDAERO CCOc1cccc([C@H]2C[NH2+]C[C@]2(N)CC)c1 ZINC000725262847 538089215 /nfs/dbraw/zinc/08/92/15/538089215.db2.gz ZEESSATXXNMXMN-ZIAGYGMSSA-N 1 0 234.343 1.880 10 0 BDAERO CCO[C@H]1C[NH2+]C[C@@H]1CNC(=O)OC(C)(C)C ZINC000307312360 566278482 /nfs/dbraw/zinc/27/84/82/566278482.db2.gz GNORXHTXMBLWJX-ZJUUUORDSA-N 1 0 244.335 1.136 10 0 BDAERO [NH3+][C@H](c1ncccn1)[C@H]1CCOC2(CCC2)C1 ZINC000094398484 566456367 /nfs/dbraw/zinc/45/63/67/566456367.db2.gz NFBFFYVBAYYUBT-QWRGUYRKSA-N 1 0 233.315 1.826 10 0 BDAERO c1ccc([C@@H]2CNC3=[NH+]CCN3C2)cc1 ZINC000232476271 566491271 /nfs/dbraw/zinc/49/12/71/566491271.db2.gz MWEIUWMIVKWCKX-LLVKDONJSA-N 1 0 201.273 1.045 10 0 BDAERO C[C@@H]1C[C@H]2CC(=O)[C@@H]3C[C@H]2[C@H](C1)[N@H+](C)C3 ZINC000004098389 560195582 /nfs/dbraw/zinc/19/55/82/560195582.db2.gz PISGDLOMGNKHKP-ROHXPCBUSA-N 1 0 207.317 1.942 10 0 in-vitro BDAERO CCCC(=O)[C@@H]1[C@H]2CCC[N@@H+]2CC[C@@H]1O ZINC000004098781 560196157 /nfs/dbraw/zinc/19/61/57/560196157.db2.gz JWTAWEGUCCQPAM-USWWRNFRSA-N 1 0 211.305 1.201 10 0 in-vitro BDAERO CC(C)[C@@H](C)NC(=O)NC1(C)CCC([NH3+])CC1 ZINC000725263375 566308902 /nfs/dbraw/zinc/30/89/02/566308902.db2.gz UKLUPJTVBVLWEV-XSRFYTQQSA-N 1 0 241.379 1.990 10 0 BDAERO COc1cccc(C[NH2+][C@@H](C(N)=O)C(C)C)c1 ZINC000107322903 582460066 /nfs/dbraw/zinc/46/00/66/582460066.db2.gz CVVROLJRXYIFJF-GFCCVEGCSA-N 1 0 236.315 1.295 10 0 BDAERO Nc1[nH+]ccn1CCCOC(F)(F)F ZINC000713446234 582478684 /nfs/dbraw/zinc/47/86/84/582478684.db2.gz ZNLBDHDFVXVDIO-UHFFFAOYSA-N 1 0 209.171 1.392 10 0 BDAERO C[C@@H]1C[NH2+]C[C@]2(CCCN2CC(F)F)C1 ZINC000757123645 582498236 /nfs/dbraw/zinc/49/82/36/582498236.db2.gz ADBPZDIZAIMWQF-ONGXEEELSA-N 1 0 218.291 1.716 10 0 BDAERO C[NH2+]Cc1sc(C(=O)COC)nc1C ZINC000757123612 582498316 /nfs/dbraw/zinc/49/83/16/582498316.db2.gz JDCHFXDDVKJGNT-UHFFFAOYSA-N 1 0 214.290 1.000 10 0 BDAERO C(C1CC1)[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757125689 582500326 /nfs/dbraw/zinc/50/03/26/582500326.db2.gz FKURTMYFNKIDJS-CQSZACIVSA-N 1 0 220.360 1.957 10 0 BDAERO Cc1nc([C@H](O)[C@H]2C[C@@H]2C)sc1C[NH3+] ZINC000757126953 582502160 /nfs/dbraw/zinc/50/21/60/582502160.db2.gz HXSINOUOFHSVAK-XWDQLLGVSA-N 1 0 212.318 1.600 10 0 BDAERO Cc1nc([C@@H](O)C(F)(F)F)sc1C[NH3+] ZINC000757128392 582503551 /nfs/dbraw/zinc/50/35/51/582503551.db2.gz KRIWXDMSZFNEIV-RXMQYKEDSA-N 1 0 226.223 1.506 10 0 BDAERO CC[C@@H](C)[C@@H](O)c1nc(C[NH2+]C)cs1 ZINC000757135009 582514054 /nfs/dbraw/zinc/51/40/54/582514054.db2.gz ZULKYPLBSGMUNS-VXNVDRBHSA-N 1 0 214.334 1.942 10 0 BDAERO CC[C@H](C)[C@H](O)c1nc(C[NH2+]C)cs1 ZINC000757135002 582514295 /nfs/dbraw/zinc/51/42/95/582514295.db2.gz ZULKYPLBSGMUNS-CBAPKCEASA-N 1 0 214.334 1.942 10 0 BDAERO [NH3+]C[C@@H]1CCN1CC[C@H]1CCCC1(F)F ZINC000757140947 582521645 /nfs/dbraw/zinc/52/16/45/582521645.db2.gz CYAWAEFMOATATM-ZJUUUORDSA-N 1 0 218.291 1.845 10 0 BDAERO [NH3+]C[C@H]1CCN1CC(F)(F)C(F)(F)F ZINC000757142221 582522344 /nfs/dbraw/zinc/52/23/44/582522344.db2.gz KRKGCANNRJFFNZ-RXMQYKEDSA-N 1 0 218.169 1.217 10 0 BDAERO c1ccc([C@@H]2CCO[C@]3(CCC[NH2+]C3)N2)cc1 ZINC000757144445 582525861 /nfs/dbraw/zinc/52/58/61/582525861.db2.gz OBNVJDMQQUWQCJ-KBPBESRZSA-N 1 0 232.327 1.817 10 0 BDAERO CCCc1nsc(N2CC[C@H]2C[NH3+])n1 ZINC000757144970 582526525 /nfs/dbraw/zinc/52/65/25/582526525.db2.gz JVMLIZUSEZMHHQ-ZETCQYMHSA-N 1 0 212.322 1.028 10 0 BDAERO COC[C@H]1CCO[C@@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757145146 582527899 /nfs/dbraw/zinc/52/78/99/582527899.db2.gz HWNHDHKRIXLWGX-ZYHUDNBSSA-N 1 0 213.321 1.918 10 0 BDAERO CC1(C)CC[NH2+][C@@]2(CCCSC2)O1 ZINC000757145864 582528701 /nfs/dbraw/zinc/52/87/01/582528701.db2.gz IWXTVQIBPLGQLH-JTQLQIEISA-N 1 0 201.335 1.998 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757150660 582535118 /nfs/dbraw/zinc/53/51/18/582535118.db2.gz HIEXDQMZONRHRD-JTQLQIEISA-N 1 0 248.392 1.176 10 0 BDAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])[C@@H](C)CC ZINC000757151548 582536284 /nfs/dbraw/zinc/53/62/84/582536284.db2.gz HQCBOMMZDSHSEI-VHSXEESVSA-N 1 0 236.381 1.031 10 0 BDAERO CN1CC[C@]2(C1)[NH2+]C1(CCCCC1)CCO2 ZINC000757152514 582536810 /nfs/dbraw/zinc/53/68/10/582536810.db2.gz SSSXJOYTSJVVNR-ZDUSSCGKSA-N 1 0 224.348 1.731 10 0 BDAERO Cc1cc(C[C@H](O)[C@@H](C)[NH3+])ccc1Cl ZINC000757157469 582540755 /nfs/dbraw/zinc/54/07/55/582540755.db2.gz LREZVIDXNXGAEG-KCJUWKMLSA-N 1 0 213.708 1.899 10 0 BDAERO Cc1cc(C[C@@]2(O)CC[NH2+]C2)ccc1Cl ZINC000757160398 582544341 /nfs/dbraw/zinc/54/43/41/582544341.db2.gz QTTARLOWVYYXJP-LBPRGKRZSA-N 1 0 225.719 1.915 10 0 BDAERO Cc1ccoc1CS[C@@H](CO)[C@H](C)[NH3+] ZINC000757163665 582544588 /nfs/dbraw/zinc/54/45/88/582544588.db2.gz DKOLJAUIGFJVFO-WPRPVWTQSA-N 1 0 215.318 1.529 10 0 BDAERO Cc1ccoc1CS[C@H]1C[NH2+]C[C@H]1O ZINC000757166479 582547400 /nfs/dbraw/zinc/54/74/00/582547400.db2.gz QMDCQWWEMNYGIR-SCZZXKLOSA-N 1 0 213.302 1.154 10 0 BDAERO Cc1ccoc1CSC[C@@H](O)CC[NH3+] ZINC000757166184 582548519 /nfs/dbraw/zinc/54/85/19/582548519.db2.gz PHXWDKKANIPZQB-VIFPVBQESA-N 1 0 215.318 1.531 10 0 BDAERO CCOC(=O)/C=C(\C)C1CC[NH+](C)CC1 ZINC000757191428 582556278 /nfs/dbraw/zinc/55/62/78/582556278.db2.gz PBPKQSZOCYKPOH-MDZDMXLPSA-N 1 0 211.305 1.838 10 0 BDAERO CC(=O)c1cccc([C@@H]2NCCC[C@@H]2[NH3+])c1 ZINC000757218643 582562417 /nfs/dbraw/zinc/56/24/17/582562417.db2.gz WPAROQATXDJGCK-STQMWFEESA-N 1 0 218.300 1.641 10 0 BDAERO CC(=O)c1ccc([C@@H]2NC[C@@H](C)C[C@H]2[NH3+])cc1 ZINC000757218522 582562613 /nfs/dbraw/zinc/56/26/13/582562613.db2.gz VNMFEAOOVKQPST-FZZIBODNSA-N 1 0 232.327 1.887 10 0 BDAERO CC(=O)c1ccc([C@@H]2NC[C@H](C)C[C@H]2[NH3+])cc1 ZINC000757218521 582562655 /nfs/dbraw/zinc/56/26/55/582562655.db2.gz VNMFEAOOVKQPST-FZQKWOKYSA-N 1 0 232.327 1.887 10 0 BDAERO CC(=O)c1ccc([C@@H]2C[NH2+]C[C@H](N)C2)cc1 ZINC000757218667 582563378 /nfs/dbraw/zinc/56/33/78/582563378.db2.gz WQBXLJYRTOKOBA-QWHCGFSZSA-N 1 0 218.300 1.293 10 0 BDAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2c2nccs2)N1 ZINC000235434733 582580127 /nfs/dbraw/zinc/58/01/27/582580127.db2.gz XPKZMDWSDCQPOE-HTQZYQBOSA-N 1 0 222.317 1.238 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@H]2c2nccs2)N1 ZINC000235695579 582603144 /nfs/dbraw/zinc/60/31/44/582603144.db2.gz XPKZMDWSDCQPOE-YUMQZZPRSA-N 1 0 222.317 1.238 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@H]2[C@@H]1CCOC1 ZINC000236046187 582637767 /nfs/dbraw/zinc/63/77/67/582637767.db2.gz OFQZSJSQGJJEQM-ZJUUUORDSA-N 1 0 207.277 1.585 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000253207397 582674942 /nfs/dbraw/zinc/67/49/42/582674942.db2.gz XTILTGCWDKBXIX-TUAOUCFPSA-N 1 0 226.364 1.784 10 0 BDAERO Nc1[nH+]ccn1Cc1ccc(F)cc1F ZINC000037483172 582675128 /nfs/dbraw/zinc/67/51/28/582675128.db2.gz ACCBYYUOQCGKCZ-UHFFFAOYSA-N 1 0 209.199 1.792 10 0 BDAERO c1cc2c(s1)[C@H](c1cnc[nH]1)[NH2+]CC2 ZINC000724777966 582687734 /nfs/dbraw/zinc/68/77/34/582687734.db2.gz WRABUVAVNMEXRN-VIFPVBQESA-N 1 0 205.286 1.706 10 0 BDAERO Cc1cc(N)nc(N[C@@H](C)[C@@H]2CCCO2)[nH+]1 ZINC000891718803 582713699 /nfs/dbraw/zinc/71/36/99/582713699.db2.gz OAYNNAKHTPJSNK-IUCAKERBSA-N 1 0 222.292 1.347 10 0 BDAERO Cc1cc2nccc([C@@H]3CCC[NH2+]C3)n2n1 ZINC000105961005 582802095 /nfs/dbraw/zinc/80/20/95/582802095.db2.gz QBQKQIVCSQUBFJ-SNVBAGLBSA-N 1 0 216.288 1.505 10 0 BDAERO Cc1nn(C[C@H]2CCC[N@H+]2C)c(C)c1N ZINC000386533526 582830281 /nfs/dbraw/zinc/83/02/81/582830281.db2.gz GSVQGMYVEIOXNM-SNVBAGLBSA-N 1 0 208.309 1.176 10 0 BDAERO Cc1cccc2c1NC(=O)O[C@@]21CC[NH2+]C1 ZINC000259474637 582833759 /nfs/dbraw/zinc/83/37/59/582833759.db2.gz OEJMGRSBVTYOSB-GFCCVEGCSA-N 1 0 218.256 1.746 10 0 BDAERO C[C@@H](C(=O)C(F)(F)F)[C@@H]1COC[C@@H](C)[NH2+]1 ZINC000702914113 582929932 /nfs/dbraw/zinc/92/99/32/582929932.db2.gz MSQXLNGHIBYRAN-QYNIQEEDSA-N 1 0 225.210 1.131 10 0 BDAERO FC1(C[NH2+][C@@H]2CCc3nccn3C2)CC1 ZINC000394463746 582977845 /nfs/dbraw/zinc/97/78/45/582977845.db2.gz JFNAYGCCJDRTLI-SECBINFHSA-N 1 0 209.268 1.290 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC ZINC000081940289 583162152 /nfs/dbraw/zinc/16/21/52/583162152.db2.gz FLGZUUGHVBSHHP-WDEREUQCSA-N 1 0 233.377 1.732 10 0 BDAERO OCCN1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000398958923 583168757 /nfs/dbraw/zinc/16/87/57/583168757.db2.gz KRRYYGUVYOYIFT-ZDUSSCGKSA-N 1 0 238.375 1.389 10 0 BDAERO CC[C@H]1CCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399262396 583172573 /nfs/dbraw/zinc/17/25/73/583172573.db2.gz QKRXYFAJZXSPFR-JSGCOSHPSA-N 1 0 240.391 1.611 10 0 BDAERO CC(C)OC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000200168044 585014466 /nfs/dbraw/zinc/01/44/66/585014466.db2.gz DXGTVANNTZPRBE-LLVKDONJSA-N 1 0 226.320 1.557 10 0 BDAERO c1csc([C@@H]2CCn3cc[nH+]c3N2)n1 ZINC000232456343 585031120 /nfs/dbraw/zinc/03/11/20/585031120.db2.gz XQDAIXUWIVRUGR-ZETCQYMHSA-N 1 0 206.274 1.897 10 0 BDAERO CC1(C)C[NH2+][C@@]2(CN3CCC2CC3)OC1 ZINC000757139655 586427694 /nfs/dbraw/zinc/42/76/94/586427694.db2.gz IGAVXCZITWPDPD-LBPRGKRZSA-N 1 0 210.321 1.054 10 0 BDAERO CC(C)c1nccnc1N1CC[C@@H]1C[NH3+] ZINC000757139873 586427941 /nfs/dbraw/zinc/42/79/41/586427941.db2.gz CYXJUUIDFWTZOO-SECBINFHSA-N 1 0 206.293 1.137 10 0 BDAERO C1CC1[C@@H]1C[NH2+][C@@]2(CCCSC2)OC1 ZINC000757144139 586428453 /nfs/dbraw/zinc/42/84/53/586428453.db2.gz FZVVUJIENUOMOS-MNOVXSKESA-N 1 0 213.346 1.856 10 0 BDAERO CC[C@H]([NH3+])CS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000757149505 586428729 /nfs/dbraw/zinc/42/87/29/586428729.db2.gz DDSNDWJWGMLIQO-AXFHLTTASA-N 1 0 248.392 1.031 10 0 BDAERO CC(C)(C)[C@H]1C[NH2+]C2(CCOCC2)OC1 ZINC000757154148 586429617 /nfs/dbraw/zinc/42/96/17/586429617.db2.gz YZDQAOMKPKZEGM-JTQLQIEISA-N 1 0 213.321 1.775 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cscn1 ZINC000757187453 586434520 /nfs/dbraw/zinc/43/45/20/586434520.db2.gz HJYFDMBHYDLEFB-SFYZADRCSA-N 1 0 226.301 1.009 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1csc(C)n1 ZINC000757187785 586435189 /nfs/dbraw/zinc/43/51/89/586435189.db2.gz HYVUAXQCSWLNGK-IUCAKERBSA-N 1 0 240.328 1.318 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(Cl)ccn1 ZINC000757190205 586435592 /nfs/dbraw/zinc/43/55/92/586435592.db2.gz PVJVGGZEMOFADZ-RKDXNWHRSA-N 1 0 240.690 1.211 10 0 BDAERO [NH3+]C[C@@H]1C[NH2+]C[C@H](c2cccc3cc[nH]c32)C1 ZINC000757207000 586437203 /nfs/dbraw/zinc/43/72/03/586437203.db2.gz ATZIDYFCPBGXAZ-ZYHUDNBSSA-N 1 0 229.327 1.820 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2CC[C@H](C(=O)[O-])C[NH2+]2)c1 ZINC000757206899 586437550 /nfs/dbraw/zinc/43/75/50/586437550.db2.gz AQIWITONUNKAOE-RYUDHWBXSA-N 1 0 234.299 1.271 10 0 BDAERO [NH3+]Cc1cccc([C@H]2CCC[NH2+][C@H]2C(=O)[O-])c1 ZINC000757210595 586438575 /nfs/dbraw/zinc/43/85/75/586438575.db2.gz GAVXQFRADSYVHO-VXGBXAGGSA-N 1 0 234.299 1.066 10 0 BDAERO CC(=O)c1cccc([C@H]2C[NH2+]C[C@H](N)C2)c1 ZINC000757212475 586439289 /nfs/dbraw/zinc/43/92/89/586439289.db2.gz IPXBMZFTKIKXKY-CHWSQXEVSA-N 1 0 218.300 1.293 10 0 BDAERO CCc1cncc(SC[C@H]2C[NH2+]CCO2)c1 ZINC000757213715 586439918 /nfs/dbraw/zinc/43/99/18/586439918.db2.gz QRSPTFJXJUYKLO-LLVKDONJSA-N 1 0 238.356 1.725 10 0 BDAERO C[C@@H]1CN[C@H](c2ccc(C=O)s2)[C@@H]([NH3+])C1 ZINC000757216493 586441117 /nfs/dbraw/zinc/44/11/17/586441117.db2.gz PVGZMZFVMABPSF-ARENWVFISA-N 1 0 224.329 1.558 10 0 BDAERO C[C@@H]1CN[C@@H](c2ccc(C=O)s2)[C@H]([NH3+])C1 ZINC000757216494 586441260 /nfs/dbraw/zinc/44/12/60/586441260.db2.gz PVGZMZFVMABPSF-JVUFJMBOSA-N 1 0 224.329 1.558 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1CC[C@H](CN)[NH2+]C1 ZINC000757229657 586443322 /nfs/dbraw/zinc/44/33/22/586443322.db2.gz FBHWSTKNSIIFRQ-ZYHUDNBSSA-N 1 0 219.332 1.372 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1CC[C@@H]([NH3+])[C@@H](C)N1 ZINC000757238641 586444177 /nfs/dbraw/zinc/44/41/77/586444177.db2.gz TUCMGAYHAHLQQB-WQAKAFBOSA-N 1 0 219.332 1.718 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](c2ccc(C(=O)[O-])cc2)[NH2+]C1 ZINC000757243130 586445361 /nfs/dbraw/zinc/44/53/61/586445361.db2.gz ZKUXTRDLBGNEHV-JOYOIKCWSA-N 1 0 234.299 1.384 10 0 BDAERO CN(C)c1cc[nH+]c(C2=CCOCC2)c1N ZINC000757565675 586461648 /nfs/dbraw/zinc/46/16/48/586461648.db2.gz HOQKDZVLTVEGHS-UHFFFAOYSA-N 1 0 219.288 1.534 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCOC(C)(C)C)C[C@@H]1C ZINC000122917028 589643550 /nfs/dbraw/zinc/64/35/50/589643550.db2.gz MUNVGUNBUUPRAS-QWRGUYRKSA-N 1 0 243.347 1.542 10 0 BDAERO C[C@@H]1CN(C(=O)N2CCCCC2)C[C@H]1[NH+](C)C ZINC000123131397 589665670 /nfs/dbraw/zinc/66/56/70/589665670.db2.gz YCBIOWFFZHIIEQ-VXGBXAGGSA-N 1 0 239.363 1.474 10 0 BDAERO [NH3+]CCCCCCNc1cn[nH]c(=O)c1Cl ZINC000019690022 589972410 /nfs/dbraw/zinc/97/24/10/589972410.db2.gz NWFRFIWFZBZOGV-UHFFFAOYSA-N 1 0 244.726 1.354 10 0 BDAERO COc1ccccc1-c1cc(CC[NH3+])no1 ZINC000020270392 590094722 /nfs/dbraw/zinc/09/47/22/590094722.db2.gz KVPAZZPFWDGITC-UHFFFAOYSA-N 1 0 218.256 1.851 10 0 BDAERO CC(C)NC(=O)[C@H](C)[NH2+]CCc1ccccc1 ZINC000020304453 590097135 /nfs/dbraw/zinc/09/71/35/590097135.db2.gz VQQURUAEVCLMKC-LBPRGKRZSA-N 1 0 234.343 1.732 10 0 BDAERO [NH3+]CCC1CCN(c2cncc(Cl)n2)CC1 ZINC000126492569 590320526 /nfs/dbraw/zinc/32/05/26/590320526.db2.gz ZWQILZRJZSMSSK-UHFFFAOYSA-N 1 0 240.738 1.695 10 0 BDAERO Clc1cncc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000126517956 590323600 /nfs/dbraw/zinc/32/36/00/590323600.db2.gz VIUYLSQNKNPBSA-BDAKNGLRSA-N 1 0 238.722 1.461 10 0 BDAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1cncc(Cl)n1 ZINC000126521355 590330568 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631410986 /nfs/dbraw/zinc/41/09/86/631410986.db2.gz ZTVLHJFGMHUWKE-LBPRGKRZSA-N 1 0 223.320 1.909 10 0 BDAERO CCC1(C(=O)NCC2CC([NH3+])C2)CCCC1 ZINC000087330327 631478737 /nfs/dbraw/zinc/47/87/37/631478737.db2.gz RPFPYECZLUECAY-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO [NH3+]C1CC(C(=O)NCc2ccc(Cl)s2)C1 ZINC000258633293 631563003 /nfs/dbraw/zinc/56/30/03/631563003.db2.gz DHZQOYSKOWIVGQ-UHFFFAOYSA-N 1 0 244.747 1.755 10 0 BDAERO COc1cccc(CN(C)C(=O)C2CC([NH3+])C2)c1 ZINC000258651312 631571168 /nfs/dbraw/zinc/57/11/68/631571168.db2.gz GBZJXNYKWOBPGL-UHFFFAOYSA-N 1 0 248.326 1.391 10 0 BDAERO Cc1cccc(CN(C)C(=O)C2CC([NH3+])C2)c1 ZINC000258797725 631639465 /nfs/dbraw/zinc/63/94/65/631639465.db2.gz VRZRETADPWBTHC-UHFFFAOYSA-N 1 0 232.327 1.691 10 0 BDAERO CO[C@@H](C[NH3+])c1nc(CC2CCC2)no1 ZINC000308852487 631695007 /nfs/dbraw/zinc/69/50/07/631695007.db2.gz HNWNZMQUMVESME-QMMMGPOBSA-N 1 0 211.265 1.058 10 0 BDAERO CC(=O)[C@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 ZINC000308819278 631701757 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632716428 /nfs/dbraw/zinc/71/64/28/632716428.db2.gz PHSDEPWHSDMWEX-VHSXEESVSA-N 1 0 236.319 1.383 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000310572707 632761125 /nfs/dbraw/zinc/76/11/25/632761125.db2.gz OOOMVMQYYFEFSR-FRRDWIJNSA-N 1 0 236.359 1.784 10 0 BDAERO C[C@H]1CN(Cc2ccc(Cl)nc2)C[C@@H]1[NH3+] ZINC000235652980 632807434 /nfs/dbraw/zinc/80/74/34/632807434.db2.gz ZVGSTHVBZWNVSL-WPRPVWTQSA-N 1 0 225.723 1.514 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000339399223 635849022 /nfs/dbraw/zinc/84/90/22/635849022.db2.gz HIRGXAOXFFZMFS-YUMQZZPRSA-N 1 0 229.707 1.905 10 0 BDAERO COC[C@@]1(c2nc(CC(C)C)no2)CC[NH2+]C1 ZINC000310390064 635849598 /nfs/dbraw/zinc/84/95/98/635849598.db2.gz DLZGHQNLSIEFFT-GFCCVEGCSA-N 1 0 239.319 1.146 10 0 BDAERO [NH3+]CC[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000034473271 632903444 /nfs/dbraw/zinc/90/34/44/632903444.db2.gz GRDXFLAHTNSCMX-SNVBAGLBSA-N 1 0 206.245 1.361 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC000309303122 632915502 /nfs/dbraw/zinc/91/55/02/632915502.db2.gz MOBFTHIBHVYDMN-SNVBAGLBSA-N 1 0 230.327 1.677 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(CC(F)(F)C(F)F)C[C@H]12 ZINC000309361833 632973318 /nfs/dbraw/zinc/97/33/18/632973318.db2.gz OVTYIRAUBJYSQP-GJMOJQLCSA-N 1 0 240.244 1.556 10 0 BDAERO c1cc(Cc2noc(C[NH2+]CC3CC3)n2)ccn1 ZINC000053129795 633003477 /nfs/dbraw/zinc/00/34/77/633003477.db2.gz MCUFSNWBHYIEIL-UHFFFAOYSA-N 1 0 244.298 1.555 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2cc(=O)[nH]c(C)n2)C1 ZINC000162654488 633035295 /nfs/dbraw/zinc/03/52/95/633035295.db2.gz GPXGARCSRMQGLW-JTQLQIEISA-N 1 0 236.319 1.387 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1c(C)cccc1C ZINC000166452032 633113435 /nfs/dbraw/zinc/11/34/35/633113435.db2.gz BZBJOOWDRIVBKA-NWDGAFQWSA-N 1 0 233.311 1.779 10 0 BDAERO CCOc1ccc([C@@H]2C[NH2+]C[C@H]2C(=O)OC)cc1 ZINC000166503037 633114735 /nfs/dbraw/zinc/11/47/35/633114735.db2.gz CXMAHFXDVQWVEQ-QWHCGFSZSA-N 1 0 249.310 1.561 10 0 BDAERO CCOc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC)cc1 ZINC000166502924 633115366 /nfs/dbraw/zinc/11/53/66/633115366.db2.gz CXMAHFXDVQWVEQ-OLZOCXBDSA-N 1 0 249.310 1.561 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)cn1 ZINC000166528058 633116113 /nfs/dbraw/zinc/11/61/13/633116113.db2.gz NXEJIPYTJMSVLO-GHMZBOCLSA-N 1 0 234.299 1.256 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)c(F)c1 ZINC000166502485 633116304 /nfs/dbraw/zinc/11/63/04/633116304.db2.gz OWANIGJGOBRAEU-DTWKUNHWSA-N 1 0 241.237 1.441 10 0 BDAERO C[C@H](CSC(C)(C)C)[NH2+]CCn1cncn1 ZINC000167009300 633124687 /nfs/dbraw/zinc/12/46/87/633124687.db2.gz ARELPROBYOZVFM-SNVBAGLBSA-N 1 0 242.392 1.788 10 0 BDAERO C[C@@H]([NH2+]Cc1cnc(Cl)cn1)[C@@H]1CCCO1 ZINC000309740977 633235698 /nfs/dbraw/zinc/23/56/98/633235698.db2.gz DHHQKIBDYWNHBP-SCZZXKLOSA-N 1 0 241.722 1.787 10 0 BDAERO CC(C)OC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000309750605 633237235 /nfs/dbraw/zinc/23/72/35/633237235.db2.gz ZEEOJASMNIRPAC-ZJUUUORDSA-N 1 0 214.309 1.556 10 0 BDAERO CC(C)(CO)[NH2+]CCCOCc1ccccc1 ZINC000306215090 635959766 /nfs/dbraw/zinc/95/97/66/635959766.db2.gz NWKRRPYEALPHJG-UHFFFAOYSA-N 1 0 237.343 1.954 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(Br)nn1C ZINC000307468542 635989587 /nfs/dbraw/zinc/98/95/87/635989587.db2.gz MIOOFGSDPUMLME-SVRRBLITSA-N 1 0 244.136 1.681 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000328405544 633763325 /nfs/dbraw/zinc/76/33/25/633763325.db2.gz STRVDPNAZRJBLR-IWSPIJDZSA-N 1 0 223.238 1.784 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCc1cccs1 ZINC000309818599 633780540 /nfs/dbraw/zinc/78/05/40/633780540.db2.gz VVOCTXKIHDRKSY-MWLCHTKSSA-N 1 0 238.356 1.547 10 0 BDAERO COCCCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000228274339 633919482 /nfs/dbraw/zinc/91/94/82/633919482.db2.gz KPUYVIOESHPXOX-WDEREUQCSA-N 1 0 229.320 1.154 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000395984275 633947312 /nfs/dbraw/zinc/94/73/12/633947312.db2.gz FSARFPNRJGPGGP-LLVKDONJSA-N 1 0 241.379 1.864 10 0 BDAERO C[C@H](NC(=O)c1cccc(C[NH3+])c1)[C@H]1CCCO1 ZINC000035734346 634076928 /nfs/dbraw/zinc/07/69/28/634076928.db2.gz MLKRHAOLAIKLJU-GXFFZTMASA-N 1 0 248.326 1.443 10 0 BDAERO N[C@H]1C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000396831670 634096300 /nfs/dbraw/zinc/09/63/00/634096300.db2.gz UKXSRKLWZMOXFU-UWVGGRQHSA-N 1 0 230.233 1.720 10 0 BDAERO N[C@@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000396831668 634097018 /nfs/dbraw/zinc/09/70/18/634097018.db2.gz UKXSRKLWZMOXFU-NXEZZACHSA-N 1 0 230.233 1.720 10 0 BDAERO C[C@@H](c1noc([C@@H]2CC[NH2+]C2)n1)C1CC1 ZINC000310041726 634108303 /nfs/dbraw/zinc/10/83/03/634108303.db2.gz YXPZGEMLDPHLGH-VXNVDRBHSA-N 1 0 207.277 1.660 10 0 BDAERO [NH3+]C1CC(C(=O)NCCc2ccccc2F)C1 ZINC000258618649 635177073 /nfs/dbraw/zinc/17/70/73/635177073.db2.gz BQIFUYORGIRQMD-UHFFFAOYSA-N 1 0 236.290 1.222 10 0 BDAERO Cc1cccc2c1CCN(C(=O)[C@H]1CC[NH2+]C1)C2 ZINC000178533902 635346839 /nfs/dbraw/zinc/34/68/39/635346839.db2.gz DBMJSPYHKMQNGY-LBPRGKRZSA-N 1 0 244.338 1.489 10 0 BDAERO CO[C@@H](c1noc(C[C@@H]([NH3+])C(C)C)n1)C1CC1 ZINC000227329838 635448679 /nfs/dbraw/zinc/44/86/79/635448679.db2.gz XVAGHAFEZYLCTE-MWLCHTKSSA-N 1 0 239.319 1.693 10 0 BDAERO COc1cccc(-c2nc([C@@H](C)C[NH3+])no2)c1 ZINC000054158713 635775156 /nfs/dbraw/zinc/77/51/56/635775156.db2.gz RWVBZIIBGBWOOQ-QMMMGPOBSA-N 1 0 233.271 1.807 10 0 BDAERO COc1ncccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307214 636356606 /nfs/dbraw/zinc/35/66/06/636356606.db2.gz YYSGCBYNUFWFRS-SNVBAGLBSA-N 1 0 249.314 1.418 10 0 BDAERO CCn1ncnc1CCC1CC[NH2+]CC1 ZINC000054498747 636743552 /nfs/dbraw/zinc/74/35/52/636743552.db2.gz RBPRUVPWTLSMMV-UHFFFAOYSA-N 1 0 208.309 1.230 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1nccs1 ZINC000128843256 637360469 /nfs/dbraw/zinc/36/04/69/637360469.db2.gz VHQCEJDSVSSOTC-SSDOTTSWSA-N 1 0 213.306 1.455 10 0 BDAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H](C)O)cc1 ZINC000348322390 639043455 /nfs/dbraw/zinc/04/34/55/639043455.db2.gz IXIJKHPEGVTBRG-SRVKXCTJSA-N 1 0 237.343 1.985 10 0 BDAERO [NH3+][C@@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000149716255 639079081 /nfs/dbraw/zinc/07/90/81/639079081.db2.gz GATFNBZRHHMKGK-MGPQQGTHSA-N 1 0 216.328 1.966 10 0 BDAERO CC[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000044290734 640179945 /nfs/dbraw/zinc/17/99/45/640179945.db2.gz SXQRONKOYBYEDT-LLVKDONJSA-N 1 0 234.299 1.236 10 0 BDAERO CCCc1nc(C[C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000054697250 640305346 /nfs/dbraw/zinc/30/53/46/640305346.db2.gz VLGLZEXUEPZFMK-JTQLQIEISA-N 1 0 222.336 1.310 10 0 BDAERO C[C@@H]1C[C@H]1c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000163708250 640412225 /nfs/dbraw/zinc/41/22/25/640412225.db2.gz MYFXQUNKRAPIKK-HRDYMLBCSA-N 1 0 207.277 1.660 10 0 BDAERO CCCOc1ccnc(NC[C@H]([NH3+])C(C)C)n1 ZINC000164811368 640507899 /nfs/dbraw/zinc/50/78/99/640507899.db2.gz SDFVWZFCIHCLQD-JTQLQIEISA-N 1 0 238.335 1.661 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(NC)ncn1 ZINC000156850257 640512896 /nfs/dbraw/zinc/51/28/96/640512896.db2.gz IATAHBBEEOSCNJ-LLVKDONJSA-N 1 0 249.362 1.439 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1nnc(C)c(C)n1 ZINC000165361818 640563188 /nfs/dbraw/zinc/56/31/88/640563188.db2.gz BIABWANOZPYJAR-LLVKDONJSA-N 1 0 235.335 1.067 10 0 BDAERO C[C@@H]1COC[C@H]([C@@H]2CCCCCC2=O)[NH2+]1 ZINC000166233498 640622136 /nfs/dbraw/zinc/62/21/36/640622136.db2.gz XKEIRTQADYNULJ-OUAUKWLOSA-N 1 0 211.305 1.513 10 0 BDAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)CO)cc1 ZINC000078430109 640672731 /nfs/dbraw/zinc/67/27/31/640672731.db2.gz OJRCSDJBBXOKDU-SMDDNHRTSA-N 1 0 237.343 1.814 10 0 BDAERO CSCC[C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226359539 640753025 /nfs/dbraw/zinc/75/30/25/640753025.db2.gz DNBWBAPJTJGZGH-IVZWLZJFSA-N 1 0 230.377 1.372 10 0 BDAERO CO[C@H](c1noc(CC2([NH3+])CCC2)n1)C1CC1 ZINC000227328989 640827044 /nfs/dbraw/zinc/82/70/44/640827044.db2.gz WWTXJIDLMGESFV-JTQLQIEISA-N 1 0 237.303 1.591 10 0 BDAERO CO[C@@H](c1noc(C[C@H]2CC[NH2+]C2)n1)C1CC1 ZINC000227328817 640827055 /nfs/dbraw/zinc/82/70/55/640827055.db2.gz DDPPRQZQXUDXNR-LDYMZIIASA-N 1 0 237.303 1.319 10 0 BDAERO CO[C@@H](c1noc(CC[NH2+]C(C)C)n1)C1CC1 ZINC000227332983 640827828 /nfs/dbraw/zinc/82/78/28/640827828.db2.gz CJYAXRITKGIEOO-LLVKDONJSA-N 1 0 239.319 1.708 10 0 BDAERO CCc1nsc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000227644829 640843201 /nfs/dbraw/zinc/84/32/01/640843201.db2.gz NVHDLIPFPHLBIT-SFYZADRCSA-N 1 0 226.349 1.640 10 0 BDAERO CSC(C)(C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000229109773 640924619 /nfs/dbraw/zinc/92/46/19/640924619.db2.gz BWUGBFCKLDUEHY-VIFPVBQESA-N 1 0 232.393 1.618 10 0 BDAERO CCC1CCC2(C[NH2+]C[C@@H]2C(=O)OC)CC1 ZINC000229205641 640932365 /nfs/dbraw/zinc/93/23/65/640932365.db2.gz MBIUPKBRDNHPHJ-QWKFWESOSA-N 1 0 225.332 1.965 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)o1 ZINC000229220231 640934286 /nfs/dbraw/zinc/93/42/86/640934286.db2.gz TZHORAWWQZBRAF-ZJUUUORDSA-N 1 0 223.272 1.454 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC12C[C@H](C)C[C@@H](C)C2 ZINC000229211822 640934382 /nfs/dbraw/zinc/93/43/82/640934382.db2.gz GJHNTJFOSMGXCC-MXWKQRLJSA-N 1 0 225.332 1.821 10 0 BDAERO COCCN1CC[N@H+](C[Si](C)(C)C)C[C@H]1C ZINC000171746150 641010004 /nfs/dbraw/zinc/01/00/04/641010004.db2.gz VTQDYYCBRRXVGB-GFCCVEGCSA-N 1 0 244.455 1.516 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC[NH2+]C2)s1 ZINC000062116470 641023282 /nfs/dbraw/zinc/02/32/82/641023282.db2.gz DACKFONRNBUCKB-NXEZZACHSA-N 1 0 238.356 1.843 10 0 BDAERO Oc1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000062119564 641023809 /nfs/dbraw/zinc/02/38/09/641023809.db2.gz OYKMTUOHCLVBNG-SECBINFHSA-N 1 0 231.255 1.519 10 0 BDAERO COC1CC([NH2+][C@H](C)c2cnccn2)C1 ZINC000230674909 641080417 /nfs/dbraw/zinc/08/04/17/641080417.db2.gz VUOIVYMZWDKIDR-XNWIYYODSA-N 1 0 207.277 1.305 10 0 BDAERO COC1CC([NH2+]Cc2ccccc2NC(C)=O)C1 ZINC000230689689 641086209 /nfs/dbraw/zinc/08/62/09/641086209.db2.gz VZHPEQBNDIQSBD-UHFFFAOYSA-N 1 0 248.326 1.912 10 0 BDAERO COC(=O)c1ccc(C[NH2+]C2CC(OC)C2)[nH]1 ZINC000230689037 641086325 /nfs/dbraw/zinc/08/63/25/641086325.db2.gz DRHFIPDKUJMJJG-UHFFFAOYSA-N 1 0 238.287 1.068 10 0 BDAERO CCOC(=O)[C@@H](C)N(C)CC1CC[NH+](C)CC1 ZINC000063121082 641134789 /nfs/dbraw/zinc/13/47/89/641134789.db2.gz UYZXCMGPORYDQC-LLVKDONJSA-N 1 0 242.363 1.212 10 0 BDAERO CCC[C@H]1C[C@H]1Nc1cc(C)[nH+]c(N)n1 ZINC000231663670 641192878 /nfs/dbraw/zinc/19/28/78/641192878.db2.gz WDUBMDJDKFCVID-DTWKUNHWSA-N 1 0 206.293 1.968 10 0 BDAERO FC(F)(F)SCCN[C@H]1CC[NH2+]C1 ZINC000231938919 641218246 /nfs/dbraw/zinc/21/82/46/641218246.db2.gz DRYISMLTDUMBPO-LURJTMIESA-N 1 0 214.256 1.191 10 0 BDAERO CNC(=O)C(C)(C)C[NH2+]CCc1ccccc1 ZINC000232017890 641233602 /nfs/dbraw/zinc/23/36/02/641233602.db2.gz ACYLXDKVEGNYRG-UHFFFAOYSA-N 1 0 234.343 1.591 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1COCC1(C)C ZINC000313075210 641530637 /nfs/dbraw/zinc/53/06/37/641530637.db2.gz IWPXHEXUSDWLJT-CHWSQXEVSA-N 1 0 242.407 1.977 10 0 BDAERO c1cc2c(s1)CCO[C@H]2C[NH2+][C@@H]1CCOC1 ZINC000088736701 641537100 /nfs/dbraw/zinc/53/71/00/641537100.db2.gz UVNAOAXGSQQEFS-KOLCDFICSA-N 1 0 239.340 1.740 10 0 BDAERO CSCC[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000157691648 641623091 /nfs/dbraw/zinc/62/30/91/641623091.db2.gz PHJFVIHSMPJLHM-KPPDAEKUSA-N 1 0 244.404 1.762 10 0 BDAERO CO[C@H](C)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158919916 641658018 /nfs/dbraw/zinc/65/80/18/641658018.db2.gz BIHIZRCOHMGFMK-TUAOUCFPSA-N 1 0 242.363 1.256 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCc1ccncc1 ZINC000089454465 641765549 /nfs/dbraw/zinc/76/55/49/641765549.db2.gz WLFIZLIGLXNWCF-QWHCGFSZSA-N 1 0 247.342 1.115 10 0 BDAERO CC(C)(C)[C@H](O)CNC(=O)CCCCCC[NH3+] ZINC000324621418 641883145 /nfs/dbraw/zinc/88/31/45/641883145.db2.gz PUSIFMDJMBUKBT-LLVKDONJSA-N 1 0 244.379 1.419 10 0 BDAERO Cc1nnc(CC[C@@H]2CCCC[NH2+]2)n1C ZINC000050929675 642373715 /nfs/dbraw/zinc/37/37/15/642373715.db2.gz AQQJOPSEWUDSQP-JTQLQIEISA-N 1 0 208.309 1.198 10 0 BDAERO CCCCCCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232959229 642637981 /nfs/dbraw/zinc/63/79/81/642637981.db2.gz NPFWLYOVGAGNFU-MNOVXSKESA-N 1 0 212.337 1.762 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(Cl)cn1 ZINC000238361440 642804976 /nfs/dbraw/zinc/80/49/76/642804976.db2.gz HBXJLCRYYUAGKY-ZETCQYMHSA-N 1 0 214.652 1.298 10 0 BDAERO c1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)co1 ZINC000069946070 642940660 /nfs/dbraw/zinc/94/06/60/642940660.db2.gz MUZBUMRHSMBFSU-QMMMGPOBSA-N 1 0 219.244 1.797 10 0 BDAERO O=C(CC[NH2+]C1CC1)N[C@H]1COc2ccccc21 ZINC000070530646 643034841 /nfs/dbraw/zinc/03/48/41/643034841.db2.gz ZDIKWEQVAJXBJX-LBPRGKRZSA-N 1 0 246.310 1.378 10 0 BDAERO CC[C@@](C)(CO)[NH2+]CCc1ccccc1 ZINC000070710309 643062010 /nfs/dbraw/zinc/06/20/10/643062010.db2.gz VVRKZRUGRMJRLE-ZDUSSCGKSA-N 1 0 207.317 1.980 10 0 BDAERO C[C@H](C[NH+]1CCCCC1)NC(=O)n1ccnc1 ZINC000049502397 643076606 /nfs/dbraw/zinc/07/66/06/643076606.db2.gz ZMAASPLTVMVEKO-LLVKDONJSA-N 1 0 236.319 1.315 10 0 BDAERO CCN(c1cccc(C)n1)[C@@H]1CC[NH2+]C1 ZINC000070901281 643080940 /nfs/dbraw/zinc/08/09/40/643080940.db2.gz OTEUQGSINGTIHC-LLVKDONJSA-N 1 0 205.305 1.578 10 0 BDAERO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)[C@H]1CCCO1 ZINC000183156399 643092839 /nfs/dbraw/zinc/09/28/39/643092839.db2.gz GRDJJILZSFVIKN-HBNTYKKESA-N 1 0 227.304 1.097 10 0 BDAERO CCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000300461209 643303917 /nfs/dbraw/zinc/30/39/17/643303917.db2.gz DSKMSNBGQLJPCD-GARJFASQSA-N 1 0 213.321 1.916 10 0 BDAERO COC[C@@H]1CCOC2(CCC(C)CC2)[NH2+]1 ZINC000757144228 643315733 /nfs/dbraw/zinc/31/57/33/643315733.db2.gz GBNNVRIOUYLQNT-CXQJBGSLSA-N 1 0 213.321 1.918 10 0 BDAERO CCOC(CN1CC[C@@H]([NH+](C)C)C1)OCC ZINC000082486278 643323049 /nfs/dbraw/zinc/32/30/49/643323049.db2.gz TXHSPBWOZNGLPH-LLVKDONJSA-N 1 0 230.352 1.021 10 0 BDAERO CC[C@H]1[NH2+]CC(C)(C)C2(CCOCC2)O1 ZINC000757149124 643332059 /nfs/dbraw/zinc/33/20/59/643332059.db2.gz WBTOONCUTPXFEC-JTQLQIEISA-N 1 0 213.321 1.918 10 0 BDAERO [NH3+]C[C@H]1CCN1C[C@H]1CCCC(F)(F)C1 ZINC000757149103 643333190 /nfs/dbraw/zinc/33/31/90/643333190.db2.gz XKFTXZGWUPZNFT-VHSXEESVSA-N 1 0 218.291 1.845 10 0 BDAERO CCC[C@@H]([NH3+])CS(=O)(=O)N1C2CCC1CC2 ZINC000757149475 643334726 /nfs/dbraw/zinc/33/47/26/643334726.db2.gz CZLAUCAYIDLURP-KPPDAEKUSA-N 1 0 246.376 1.070 10 0 BDAERO Cc1ccc(C)c(CN2CC[C@@H]2C[NH3+])c1 ZINC000757149159 643337250 /nfs/dbraw/zinc/33/72/50/643337250.db2.gz YOABVOIOBCLCPU-CYBMUJFWSA-N 1 0 204.317 1.836 10 0 BDAERO C[C@@H]([NH3+])CCc1nc(CC(C)(C)C)no1 ZINC000082675419 643364941 /nfs/dbraw/zinc/36/49/41/643364941.db2.gz KUSIKYMINMNTKV-MRVPVSSYSA-N 1 0 211.309 1.938 10 0 BDAERO Cc1ccc(N)cc1[C@H]1NCCC[C@@H]1[NH3+] ZINC000757236344 643374028 /nfs/dbraw/zinc/37/40/28/643374028.db2.gz OJEFIUCNHDUTLE-NWDGAFQWSA-N 1 0 205.305 1.329 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])C1CC1 ZINC000082920677 643388197 /nfs/dbraw/zinc/38/81/97/643388197.db2.gz KRAKDVACSAVWNP-GDPRMGEGSA-N 1 0 210.321 1.419 10 0 BDAERO CC[C@H]1CC[C@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400446724 643388957 /nfs/dbraw/zinc/38/89/57/643388957.db2.gz IBBXGJGHMQXGGZ-JOYOIKCWSA-N 1 0 205.305 1.961 10 0 BDAERO COc1cccc(OC)c1[C@H]([NH3+])CCO ZINC000082953244 643391341 /nfs/dbraw/zinc/39/13/41/643391341.db2.gz QWVTYQZJNSJXDW-MRVPVSSYSA-N 1 0 211.261 1.086 10 0 BDAERO C[C@H]([NH3+])C[C@H](C)Nc1cncc(Cl)n1 ZINC000307269076 643426544 /nfs/dbraw/zinc/42/65/44/643426544.db2.gz MEABRYBHLDMKJY-BQBZGAKWSA-N 1 0 214.700 1.668 10 0 BDAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(N)=O ZINC000307261873 643426888 /nfs/dbraw/zinc/42/68/88/643426888.db2.gz QZEVDMUJGBDSFL-JQWIXIFHSA-N 1 0 218.300 1.240 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@H]2CC2(Cl)Cl)n1 ZINC000307312954 643438993 /nfs/dbraw/zinc/43/89/93/643438993.db2.gz GYKCXOACKYKEDZ-RFZPGFLSSA-N 1 0 236.102 1.793 10 0 BDAERO CC(C)(C)Cc1noc(CC(C)(C)[NH3+])n1 ZINC000082770784 643526438 /nfs/dbraw/zinc/52/64/38/643526438.db2.gz CYUBZTQPESGTBY-UHFFFAOYSA-N 1 0 211.309 1.938 10 0 BDAERO Cc1nn2c(c1C)NC[C@H]1C[NH2+]CC[C@@H]12 ZINC000236005754 643569188 /nfs/dbraw/zinc/56/91/88/643569188.db2.gz SSIDYWKBGOIUNF-ZJUUUORDSA-N 1 0 206.293 1.076 10 0 BDAERO c1nnsc1-c1nc(C2CC[NH2+]CC2)no1 ZINC000083592868 643592284 /nfs/dbraw/zinc/59/22/84/643592284.db2.gz LUFDANBQPGREAE-UHFFFAOYSA-N 1 0 237.288 1.055 10 0 BDAERO CCCc1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000085610374 643622439 /nfs/dbraw/zinc/62/24/39/643622439.db2.gz QGMMOBOSCJVXCB-MRVPVSSYSA-N 1 0 227.333 1.270 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCC(F)(F)F ZINC000084301474 643657374 /nfs/dbraw/zinc/65/73/74/643657374.db2.gz XBEQKTXWTMBVKG-SFYZADRCSA-N 1 0 238.253 1.430 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000084308474 643658395 /nfs/dbraw/zinc/65/83/95/643658395.db2.gz ZDFRYSSBDKFLBN-SFYZADRCSA-N 1 0 225.317 1.457 10 0 BDAERO C[C@@]([NH3+])(CC(N)=O)c1ccc(Cl)s1 ZINC000084399696 643661535 /nfs/dbraw/zinc/66/15/35/643661535.db2.gz IGDUPANHDLJVMD-MRVPVSSYSA-N 1 0 218.709 1.451 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CO)c(C)c1 ZINC000085246525 643697598 /nfs/dbraw/zinc/69/75/98/643697598.db2.gz WBRSWOMQNXRICT-VXGBXAGGSA-N 1 0 223.316 1.307 10 0 BDAERO Cc1ccc(N2C[C@@H](CC[NH3+])OC2=O)cc1 ZINC000082365414 644375478 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712360352 /nfs/dbraw/zinc/36/03/52/712360352.db2.gz IQCJMFIOVAVAGU-WNYYMSAVSA-N 1 0 213.321 1.711 10 0 BDAERO CCC[C@](C)([NH3+])C(=O)NC1CC(COC)C1 ZINC000713943133 712474174 /nfs/dbraw/zinc/47/41/74/712474174.db2.gz MPRMCKZZIZJXQJ-CBINBANVSA-N 1 0 228.336 1.045 10 0 BDAERO COCC1CC([NH2+]C[C@@H]2CCSC2)C1 ZINC000713983921 712476117 /nfs/dbraw/zinc/47/61/17/712476117.db2.gz HGJWLSZSUBHBFR-WHXUTIOJSA-N 1 0 215.362 1.754 10 0 BDAERO COCC1CC([NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000713985451 712476316 /nfs/dbraw/zinc/47/63/16/712476316.db2.gz PDJYQHJYSAGIFH-SAAXCQNUSA-N 1 0 201.310 1.424 10 0 BDAERO COCC1CC(NC(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000713994991 712476848 /nfs/dbraw/zinc/47/68/48/712476848.db2.gz CXFROVUTBYHQOE-HTAVTVPLSA-N 1 0 242.363 1.291 10 0 BDAERO COC[C@H]([NH2+]C1CC(COC)C1)C1CC1 ZINC000714009826 712477474 /nfs/dbraw/zinc/47/74/74/712477474.db2.gz QUMMQNLLMYCXOE-NHNAUAITSA-N 1 0 213.321 1.426 10 0 BDAERO COCC1CC([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000713962156 712475173 /nfs/dbraw/zinc/47/51/73/712475173.db2.gz RHCWHYIAHVGGLG-IKWCTNDRSA-N 1 0 227.348 1.959 10 0 BDAERO CC[C@H](C)c1noc([C@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714059615 712477847 /nfs/dbraw/zinc/47/78/47/712477847.db2.gz NTTHKSPRDVLECH-DJLDLDEBSA-N 1 0 225.292 1.414 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000714375518 712484440 /nfs/dbraw/zinc/48/44/40/712484440.db2.gz VEKZCTNOTCGOPQ-WOPDTQHZSA-N 1 0 226.364 1.613 10 0 BDAERO C[C@H]1CCCC[C@@H]1C(=O)NCC1CC([NH3+])C1 ZINC000714406289 712484927 /nfs/dbraw/zinc/48/49/27/712484927.db2.gz SGXFVFJLOWRFTC-XKGSQUFQSA-N 1 0 224.348 1.666 10 0 BDAERO CCCCCCNC(=O)[C@@H]([NH3+])CCC ZINC000036873445 712506484 /nfs/dbraw/zinc/50/64/84/712506484.db2.gz HHOCVDPSDZALJA-JTQLQIEISA-N 1 0 200.326 1.810 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccns1 ZINC000716001938 712552093 /nfs/dbraw/zinc/55/20/93/712552093.db2.gz XISYTMOWZKVABB-UWVGGRQHSA-N 1 0 241.360 1.124 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2[nH]nc(C)c2C)C1 ZINC000716675507 712569260 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/nfs/dbraw/zinc/75/71/15/712757115.db2.gz ARBSOVQFOKESPT-NXEZZACHSA-N 1 0 222.288 1.255 10 0 BDAERO C[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000720584196 712854727 /nfs/dbraw/zinc/85/47/27/712854727.db2.gz RCJBEOXCSZXPIS-NNYUYHANSA-N 1 0 240.347 1.045 10 0 BDAERO FC(F)(F)[C@@H]1C[NH2+]C[C@H]1c1nc(C2CC2)no1 ZINC000720666963 712861456 /nfs/dbraw/zinc/86/14/56/712861456.db2.gz SMGJVEFSYHUKBE-RNFRBKRXSA-N 1 0 247.220 1.812 10 0 BDAERO CC(C)(C[NH3+])CC(=O)NCC[C@H]1CCCO1 ZINC000721213588 712898919 /nfs/dbraw/zinc/89/89/19/712898919.db2.gz GTLSMXOBOBGGKJ-SNVBAGLBSA-N 1 0 228.336 1.047 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Cc1nc([C@H]2CC2(C)C)no1 ZINC000722622070 710717813 /nfs/dbraw/zinc/71/78/13/710717813.db2.gz GNCYVCRDWAPXGA-OPRDCNLKSA-N 1 0 235.331 1.981 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Cc1nc(CC2CCC2)no1 ZINC000722622931 710718280 /nfs/dbraw/zinc/71/82/80/710718280.db2.gz LUBWKRCZMBJTJH-MWLCHTKSSA-N 1 0 235.331 1.810 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000380539990 712901193 /nfs/dbraw/zinc/90/11/93/712901193.db2.gz GWWANHDQICUCSC-LURJTMIESA-N 1 0 244.682 1.427 10 0 BDAERO Cc1cnc(C)c(NC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000723820173 710732462 /nfs/dbraw/zinc/73/24/62/710732462.db2.gz BCIKLGQKIGXJBF-KCJUWKMLSA-N 1 0 220.320 1.361 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1nc2ccccc2[nH]1 ZINC000723824022 710732992 /nfs/dbraw/zinc/73/29/92/710732992.db2.gz BLFOQXJODFWPRD-ZJUUUORDSA-N 1 0 230.315 1.830 10 0 BDAERO COC[C@@H](C[NH2+]C(C)(C)CO)C(C)C ZINC000721930134 710693016 /nfs/dbraw/zinc/69/30/16/710693016.db2.gz KWMARXQYPQYSCQ-SNVBAGLBSA-N 1 0 203.326 1.266 10 0 BDAERO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000723107817 710726030 /nfs/dbraw/zinc/72/60/30/710726030.db2.gz WKZIEYLOTBMNIY-USZNOCQGSA-N 1 0 225.332 1.773 10 0 BDAERO C[C@H]1CN(Cc2csc(Cl)n2)C[C@H]1[NH3+] ZINC000306715120 711460664 /nfs/dbraw/zinc/46/06/64/711460664.db2.gz RMFPVKSOFVTBMT-POYBYMJQSA-N 1 0 231.752 1.576 10 0 BDAERO CC(C)(CO)[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721443090 711492866 /nfs/dbraw/zinc/49/28/66/711492866.db2.gz HPQANZCTJXIRKO-SFYZADRCSA-N 1 0 241.253 1.457 10 0 BDAERO Cc1nccnc1N1C2CCC1(C[NH3+])CC2 ZINC000722986397 711493813 /nfs/dbraw/zinc/49/38/13/711493813.db2.gz LINWOAIIIWJFBV-UHFFFAOYSA-N 1 0 218.304 1.245 10 0 BDAERO OC1(C[NH2+][C@@H]2CCCC3(CC3)C2)CCOCC1 ZINC000723599169 711523090 /nfs/dbraw/zinc/52/30/90/711523090.db2.gz IZYHBAJOXWYYOZ-GFCCVEGCSA-N 1 0 239.359 1.840 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723651405 711530772 /nfs/dbraw/zinc/53/07/72/711530772.db2.gz NGHMPYVZNWXRNL-MRTXSQPYSA-N 1 0 239.359 1.959 10 0 BDAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715851841 711561341 /nfs/dbraw/zinc/56/13/41/711561341.db2.gz OQSIRGMOPKJMPA-OYNCUSHFSA-N 1 0 226.349 1.360 10 0 BDAERO C[NH2+]CCc1noc(CCc2ccncc2)n1 ZINC000721363685 711613994 /nfs/dbraw/zinc/61/39/94/711613994.db2.gz VBSLYBQYJJGZBT-UHFFFAOYSA-N 1 0 232.287 1.012 10 0 BDAERO Cc1nc(C)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)[nH]1 ZINC000724786373 711614771 /nfs/dbraw/zinc/61/47/71/711614771.db2.gz RGFCCBZBZFIQHI-GWCFXTLKSA-N 1 0 248.374 1.695 10 0 BDAERO CC1(C)C[C@H]1c1noc(C[C@@H](N)C(F)F)n1 ZINC000725074931 711649934 /nfs/dbraw/zinc/64/99/34/711649934.db2.gz WZZZANCQIIOLAB-NTSWFWBYSA-N 1 0 231.246 1.718 10 0 BDAERO CC(C)(O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725110215 711652440 /nfs/dbraw/zinc/65/24/40/711652440.db2.gz ZCHUOLNCNYXVLU-NSHDSACASA-N 1 0 215.337 1.288 10 0 BDAERO C[NH2+][C@H](C)c1nc(-c2coc(C)n2)no1 ZINC000308962376 711656424 /nfs/dbraw/zinc/65/64/24/711656424.db2.gz KJONDRQNENKMES-RXMQYKEDSA-N 1 0 208.221 1.313 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720423506 711684141 /nfs/dbraw/zinc/68/41/41/711684141.db2.gz CFUVKWRTGQVBHM-QWHCGFSZSA-N 1 0 245.363 1.275 10 0 BDAERO C([C@H]1CCCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257656252 711723481 /nfs/dbraw/zinc/72/34/81/711723481.db2.gz FKBMSEIBDIIWCL-CHWSQXEVSA-N 1 0 224.348 1.383 10 0 BDAERO Cc1ccnc(NCCC2CC[NH2+]CC2)n1 ZINC000257666378 711724631 /nfs/dbraw/zinc/72/46/31/711724631.db2.gz YQUGPQKNEGOSTJ-UHFFFAOYSA-N 1 0 220.320 1.587 10 0 BDAERO Cc1ccnc(N2CCC[C@]23CC[NH2+]C3)c1 ZINC000257669349 711725205 /nfs/dbraw/zinc/72/52/05/711725205.db2.gz DHPHSEUBHMTHKI-CYBMUJFWSA-N 1 0 217.316 1.722 10 0 BDAERO CCC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000227427453 711729721 /nfs/dbraw/zinc/72/97/21/711729721.db2.gz RIOBVJAYQYSLQG-GHMZBOCLSA-N 1 0 224.348 1.668 10 0 BDAERO COc1ccc(N(C)C(=O)C2CC([NH3+])C2)cc1 ZINC000258727012 711741698 /nfs/dbraw/zinc/74/16/98/711741698.db2.gz NUIAWGIBNIENDK-UHFFFAOYSA-N 1 0 234.299 1.395 10 0 BDAERO [NH3+][C@@H](CCO)c1cncc(Br)c1 ZINC000095638737 711776311 /nfs/dbraw/zinc/77/63/11/711776311.db2.gz FEBZQMXCYJMRRP-QMMMGPOBSA-N 1 0 231.093 1.226 10 0 BDAERO Cc1nc2ccccc2nc1N[C@@H]1C[NH2+]C[C@H]1C ZINC000721875738 711794561 /nfs/dbraw/zinc/79/45/61/711794561.db2.gz VKMXIPRHMCILKU-NOZJJQNGSA-N 1 0 242.326 1.958 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(F)nc1 ZINC000225809620 711829664 /nfs/dbraw/zinc/82/96/64/711829664.db2.gz UORVCPJBEKAJRQ-SECBINFHSA-N 1 0 225.267 1.533 10 0 BDAERO CCc1nsc(N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC000721936580 711940558 /nfs/dbraw/zinc/94/05/58/711940558.db2.gz CGIVQAGXLBBHPZ-SSDOTTSWSA-N 1 0 226.349 1.510 10 0 BDAERO c1cc(-c2noc([C@@H]3C[NH2+]CCOC3)n2)co1 ZINC000700382246 711991513 /nfs/dbraw/zinc/99/15/13/711991513.db2.gz TVYLSTQJXNGSIL-SECBINFHSA-N 1 0 235.243 1.033 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@]2(C)CCO[C@@H]2C)n1 ZINC000700468072 711993856 /nfs/dbraw/zinc/99/38/56/711993856.db2.gz KFLHADJACHJEOA-BXKDBHETSA-N 1 0 237.303 1.148 10 0 BDAERO CC[C@@]1([NH2+]Cc2nc(C)cc(=O)[nH]2)CCOC1 ZINC000700480921 711994185 /nfs/dbraw/zinc/99/41/85/711994185.db2.gz VTWJIRHXLFRHRX-GFCCVEGCSA-N 1 0 237.303 1.149 10 0 BDAERO CCCCSCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000701011296 712011970 /nfs/dbraw/zinc/01/19/70/712011970.db2.gz HWUTXWQHCYRFQU-QWRGUYRKSA-N 1 0 244.404 1.776 10 0 BDAERO CO[C@@H]1C[NH2+][C@](C)(c2nc([C@H]3C[C@@H]3C)no2)C1 ZINC000702715255 712059826 /nfs/dbraw/zinc/05/98/26/712059826.db2.gz BUKAAZIJXJMAJR-PEFMBERDSA-N 1 0 237.303 1.417 10 0 BDAERO [NH3+]CCCCCCNc1ncnc2[nH]ccc21 ZINC000705181344 712125732 /nfs/dbraw/zinc/12/57/32/712125732.db2.gz AJWGOOVRHXTVQG-UHFFFAOYSA-N 1 0 233.319 1.841 10 0 BDAERO C[C@H]1CN(C(=O)c2ccnc(Cl)c2)C[C@@H]1[NH3+] ZINC000706052832 712139479 /nfs/dbraw/zinc/13/94/79/712139479.db2.gz JDPLOSJPBIETFD-CBAPKCEASA-N 1 0 239.706 1.154 10 0 BDAERO CCOC(C[N@@H+]1C[C@@H]2CCC[C@@H]21)OCC ZINC000706723588 712153309 /nfs/dbraw/zinc/15/33/09/712153309.db2.gz OTNXHWAZJHPBSK-QWRGUYRKSA-N 1 0 213.321 1.870 10 0 BDAERO CC(C)(C)[NH2+]CCC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000706908126 712160034 /nfs/dbraw/zinc/16/00/34/712160034.db2.gz ODLHARWPCBCXJF-WDEREUQCSA-N 1 0 224.348 1.776 10 0 BDAERO CC[C@H]1COC[C@@H]1[NH2+]C1CC(SC)C1 ZINC000706943582 712162310 /nfs/dbraw/zinc/16/23/10/712162310.db2.gz IYEYSGGSYAVMQE-PMUOWJKOSA-N 1 0 215.362 1.895 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000706991156 712164151 /nfs/dbraw/zinc/16/41/51/712164151.db2.gz JSNQIWXNHHAUMC-UTUOFQBUSA-N 1 0 213.321 1.258 10 0 BDAERO CSC1CC([NH2+]Cc2ncnn2C(C)C)C1 ZINC000708261592 712184572 /nfs/dbraw/zinc/18/45/72/712184572.db2.gz CBZYBZBMQYMCGZ-UHFFFAOYSA-N 1 0 240.376 1.843 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1CO ZINC000708686376 712197090 /nfs/dbraw/zinc/19/70/90/712197090.db2.gz JDPPZKGWJUTLNF-POQQGIQPSA-N 1 0 223.360 1.983 10 0 BDAERO CC/C=C(\C)C(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708964467 712204388 /nfs/dbraw/zinc/20/43/88/712204388.db2.gz URJNILKWSNOGAQ-GKIGXUJUSA-N 1 0 240.347 1.307 10 0 BDAERO C[C@H](C[N@@H+]1CCO[C@H](CO)C1)CC(C)(C)C ZINC000709161757 712211192 /nfs/dbraw/zinc/21/11/92/712211192.db2.gz HLKSTASQVITBGF-RYUDHWBXSA-N 1 0 229.364 1.752 10 0 BDAERO O=C1NCCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711143466 712285194 /nfs/dbraw/zinc/28/51/94/712285194.db2.gz KEBVSWZNBPSQMT-WRWGMCAJSA-N 1 0 222.332 1.433 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000711346137 712294977 /nfs/dbraw/zinc/29/49/77/712294977.db2.gz HJTQZPRWKIJCOH-QNWJLWSRSA-N 1 0 236.359 1.618 10 0 BDAERO CC[C@H]1OCC[C@@H]1c1nc(C2([NH3+])CCC2)no1 ZINC000711618764 712313022 /nfs/dbraw/zinc/31/30/22/712313022.db2.gz BABRVFDNDBLDOI-DTWKUNHWSA-N 1 0 237.303 1.690 10 0 BDAERO O[C@@]12CCCC[C@H]1C[N@H+](CCOC1CC1)CC2 ZINC000711653966 712314138 /nfs/dbraw/zinc/31/41/38/712314138.db2.gz GXANXXKJWURXJN-GXTWGEPZSA-N 1 0 239.359 1.792 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1nccn1C1CC1 ZINC000711800666 712331976 /nfs/dbraw/zinc/33/19/76/712331976.db2.gz OZEWBJHKSYEBAP-KOLCDFICSA-N 1 0 220.320 1.140 10 0 BDAERO O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@H]1CC[NH2+]C1 ZINC000712083518 712340368 /nfs/dbraw/zinc/34/03/68/712340368.db2.gz LJGGUHYBOGGSNC-DLOVCJGASA-N 1 0 222.332 1.148 10 0 BDAERO CC/C=C(/C)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378743085 712359756 /nfs/dbraw/zinc/35/97/56/712359756.db2.gz QBVOVGBNALHQRY-BBYBGLFNSA-N 1 0 214.284 1.240 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ccnc2cccnc21 ZINC000379195405 712370996 /nfs/dbraw/zinc/37/09/96/712370996.db2.gz FPTGFZIRXWFAED-SECBINFHSA-N 1 0 216.288 1.413 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)/C=C\C1CC1 ZINC000379466002 712385630 /nfs/dbraw/zinc/38/56/30/712385630.db2.gz XNDVGLXRGOYULE-RWTFEVOBSA-N 1 0 208.305 1.209 10 0 BDAERO CC[C@@H]([NH2+]CCS(C)(=O)=O)C(C)(C)C ZINC000379577259 712388568 /nfs/dbraw/zinc/38/85/68/712388568.db2.gz QFLWNPYTEARVEB-SECBINFHSA-N 1 0 221.366 1.445 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+]CCn2cnnn2)c1 ZINC000712540287 712443300 /nfs/dbraw/zinc/44/33/00/712443300.db2.gz LZELDLBLHWCQTB-LLVKDONJSA-N 1 0 231.303 1.332 10 0 BDAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1CCOC[C@@H]1O ZINC000713049853 712452080 /nfs/dbraw/zinc/45/20/80/712452080.db2.gz OAIJINFXQNGVRH-VOAKCMCISA-N 1 0 241.375 1.941 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCOC(F)(F)F ZINC000713430638 712459496 /nfs/dbraw/zinc/45/94/96/712459496.db2.gz MGGJGROQXQVEJN-IUCAKERBSA-N 1 0 241.253 1.758 10 0 BDAERO C[C@H]1CN(Cc2scnc2Cl)C[C@@H]1[NH3+] ZINC000713479797 712461597 /nfs/dbraw/zinc/46/15/97/712461597.db2.gz CWPLWUOAFNYQFT-BQBZGAKWSA-N 1 0 231.752 1.576 10 0 BDAERO CCc1cccc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)c1 ZINC000713784222 712472407 /nfs/dbraw/zinc/47/24/07/712472407.db2.gz RRYPSSNHEUEPFU-DGCLKSJQSA-N 1 0 248.326 1.551 10 0 BDAERO Cc1cccc(C)c1NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713786896 712472527 /nfs/dbraw/zinc/47/25/27/712472527.db2.gz XSYCATSOELVYGO-VXGBXAGGSA-N 1 0 248.326 1.606 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](C(=O)Nc2cccc(F)c2)CO1 ZINC000713804477 712472978 /nfs/dbraw/zinc/47/29/78/712472978.db2.gz INSZMVSNZLCUGV-KCJUWKMLSA-N 1 0 238.262 1.128 10 0 BDAERO COCC1CC([NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000713947036 712474747 /nfs/dbraw/zinc/47/47/47/712474747.db2.gz XWAJBQFUGKPUMG-UHFFFAOYSA-N 1 0 237.347 1.979 10 0 BDAERO COCC1CC([NH2+]Cc2ccnn2C(C)C)C1 ZINC000713958704 712475037 /nfs/dbraw/zinc/47/50/37/712475037.db2.gz IIZJCOXKUPTCMB-UHFFFAOYSA-N 1 0 237.347 1.979 10 0 BDAERO COCC1CC([NH2+][C@@H](C)C[C@H]2CCOC2)C1 ZINC000713981613 712476011 /nfs/dbraw/zinc/47/60/11/712476011.db2.gz CRUUTCZYAJJNEL-ZFDZMSFRSA-N 1 0 227.348 1.816 10 0 BDAERO COCC1CC([NH2+][C@H]2CCSC2)C1 ZINC000713981667 712476012 /nfs/dbraw/zinc/47/60/12/712476012.db2.gz VEOSBNNAHPRAOF-KYHHOPLUSA-N 1 0 201.335 1.507 10 0 BDAERO [NH3+][C@H]1CCN(C(=O)C[C@H]2CCCC2(F)F)C1 ZINC000713989653 712476568 /nfs/dbraw/zinc/47/65/68/712476568.db2.gz QLMZORYYWDHCJO-BDAKNGLRSA-N 1 0 232.274 1.372 10 0 BDAERO COCC1CC([NH2+]Cc2cnc(C)s2)C1 ZINC000714005461 712476985 /nfs/dbraw/zinc/47/69/85/712476985.db2.gz BMZUNPWHWOSXFQ-UHFFFAOYSA-N 1 0 226.345 1.966 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)C[C@H]1CCCC1(F)F ZINC000714020372 712477270 /nfs/dbraw/zinc/47/72/70/712477270.db2.gz GOPSYHGCBHPZTQ-RKDXNWHRSA-N 1 0 234.290 1.665 10 0 BDAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cn(CCC)nn1 ZINC000714478032 712491838 /nfs/dbraw/zinc/49/18/38/712491838.db2.gz OWXCHQZETDAAGC-JQWIXIFHSA-N 1 0 222.336 1.966 10 0 BDAERO Cc1nccnc1N1CCC(C(C)(C)C[NH3+])CC1 ZINC000714487634 712492202 /nfs/dbraw/zinc/49/22/02/712492202.db2.gz UOYJCCOWHYRIEE-UHFFFAOYSA-N 1 0 248.374 1.986 10 0 BDAERO CO[C@H]1C[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000714723192 712496309 /nfs/dbraw/zinc/49/63/09/712496309.db2.gz KHQOOHWKCBBXBF-GMTAPVOTSA-N 1 0 215.337 1.408 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715079862 712506592 /nfs/dbraw/zinc/50/65/92/712506592.db2.gz ANEUYSVPMCMCKJ-OUAUKWLOSA-N 1 0 213.321 1.916 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2nccc(C(F)(F)F)n2)C1 ZINC000715086488 712507455 /nfs/dbraw/zinc/50/74/55/712507455.db2.gz VPQJEVXJPXZNLI-KNVOCYPGSA-N 1 0 246.236 1.645 10 0 BDAERO COCc1ccccc1C(=O)NCC1CC([NH3+])C1 ZINC000715132723 712513652 /nfs/dbraw/zinc/51/36/52/712513652.db2.gz DDWNULKBVWBILP-UHFFFAOYSA-N 1 0 248.326 1.300 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715498933 712523999 /nfs/dbraw/zinc/52/39/99/712523999.db2.gz WAEPSMRSMFKTBI-SYQHCUMBSA-N 1 0 239.359 1.837 10 0 BDAERO [NH3+][C@@H](C(=O)N[C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000037001045 712528900 /nfs/dbraw/zinc/52/89/00/712528900.db2.gz AOJADTGCKFALGY-RWMBFGLXSA-N 1 0 248.326 1.106 10 0 BDAERO [NH3+]C1CC(C(=O)NCCCCC2CC2)C1 ZINC000716416494 712559749 /nfs/dbraw/zinc/55/97/49/712559749.db2.gz KVQDKAWPVZQXBX-UHFFFAOYSA-N 1 0 210.321 1.420 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716416164 712559766 /nfs/dbraw/zinc/55/97/66/712559766.db2.gz RLZICQJLKGBTDE-ZDUSSCGKSA-N 1 0 229.364 1.630 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000716432004 712560057 /nfs/dbraw/zinc/56/00/57/712560057.db2.gz BJYXLADQJKQVLU-HRRXFJGFSA-N 1 0 222.332 1.227 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000716432000 712560170 /nfs/dbraw/zinc/56/01/70/712560170.db2.gz BJYXLADQJKQVLU-HAVMIZHYSA-N 1 0 222.332 1.227 10 0 BDAERO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000716457733 712562430 /nfs/dbraw/zinc/56/24/30/712562430.db2.gz AVBACQRICGJVAL-RLHXAZLQSA-N 1 0 248.370 1.678 10 0 BDAERO O[C@H](CC[NH2+]CCc1ccccc1)C(F)F ZINC000716675271 712569591 /nfs/dbraw/zinc/56/95/91/712569591.db2.gz JCFVSKUONUBTAP-LLVKDONJSA-N 1 0 229.270 1.835 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2cc(F)ccc2F)C1 ZINC000716685075 712569731 /nfs/dbraw/zinc/56/97/31/712569731.db2.gz PWWKECMGTGIJCD-UHFFFAOYSA-N 1 0 240.253 1.318 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC000716715760 712570737 /nfs/dbraw/zinc/57/07/37/712570737.db2.gz KCGGLMUEEOBNNQ-UHFFFAOYSA-N 1 0 244.294 1.786 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C2CC(C(N)=O)C2)[C@@H](C)C1 ZINC000716759080 712572365 /nfs/dbraw/zinc/57/23/65/712572365.db2.gz FJPNWCHNDHQJRD-SGCDDIOWSA-N 1 0 224.348 1.665 10 0 BDAERO NC(=O)C1CC([NH2+]CCc2ccccc2)C1 ZINC000716754079 712572604 /nfs/dbraw/zinc/57/26/04/712572604.db2.gz DVRZCCFTNMARTO-UHFFFAOYSA-N 1 0 218.300 1.083 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2nccc3cccnc32)C1 ZINC000716900456 712581397 /nfs/dbraw/zinc/58/13/97/712581397.db2.gz QOXHPWBHPBAQRK-JGZJWPJOSA-N 1 0 228.299 1.779 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1nccc2cccnc21 ZINC000716907508 712581712 /nfs/dbraw/zinc/58/17/12/712581712.db2.gz JTGFVJFSVUOQKE-UHFFFAOYSA-N 1 0 240.310 1.557 10 0 BDAERO Fc1cnc(NC[C@@H]2C[NH2+]CCC2(F)F)nc1 ZINC000717016476 712604585 /nfs/dbraw/zinc/60/45/85/712604585.db2.gz FFJFEZPXCYQDOH-ZETCQYMHSA-N 1 0 246.236 1.272 10 0 BDAERO CC1(C)CO[C@@H](CC(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000717047421 712625104 /nfs/dbraw/zinc/62/51/04/712625104.db2.gz YBIWEVUBGMBUPO-QWRGUYRKSA-N 1 0 240.347 1.141 10 0 BDAERO C[NH2+]CCc1noc([C@H]2CC2(Cl)Cl)n1 ZINC000380162191 712702937 /nfs/dbraw/zinc/70/29/37/712702937.db2.gz BWAHLLYXKSPYOO-RXMQYKEDSA-N 1 0 236.102 1.493 10 0 BDAERO [NH3+]C1CC(CNC(=O)C2CCC=CCC2)C1 ZINC000718084363 712742223 /nfs/dbraw/zinc/74/22/23/712742223.db2.gz TVIZQQHBNCESRQ-UHFFFAOYSA-N 1 0 222.332 1.586 10 0 BDAERO COCC(C)(C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000718942437 712789520 /nfs/dbraw/zinc/78/95/20/712789520.db2.gz MOLHNCMPUVXYDI-WDEREUQCSA-N 1 0 242.363 1.293 10 0 BDAERO c1cnc2nccc(N[C@@H]3CC[NH2+]C3)c2c1 ZINC000718983578 712791662 /nfs/dbraw/zinc/79/16/62/712791662.db2.gz BDECDEUOPVBEET-SECBINFHSA-N 1 0 214.272 1.404 10 0 BDAERO C[C@@H]1CN(c2ccnc3ncccc23)C[C@@H]1C[NH3+] ZINC000718988970 712792306 /nfs/dbraw/zinc/79/23/06/712792306.db2.gz JNFCJLALZOAAHM-MNOVXSKESA-N 1 0 242.326 1.661 10 0 BDAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000038097017 712807997 /nfs/dbraw/zinc/80/79/97/712807997.db2.gz RVFUJCLEAVTGPG-UONOGXRCSA-N 1 0 235.327 1.879 10 0 BDAERO C[C@@H]1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CCN1C ZINC000719650590 712820842 /nfs/dbraw/zinc/82/08/42/712820842.db2.gz YVIVEGHKEYCZMS-VEGXAWMVSA-N 1 0 238.375 1.482 10 0 BDAERO C[NH2+]CCCCC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000719713849 712822947 /nfs/dbraw/zinc/82/29/47/712822947.db2.gz CAVBVDGYIIBDFT-MNOVXSKESA-N 1 0 228.336 1.060 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@H](C)[C@H]2CCCO2)n1 ZINC000720613511 712859146 /nfs/dbraw/zinc/85/91/46/712859146.db2.gz WHXMTDRXSQTYQB-IWSPIJDZSA-N 1 0 225.292 1.414 10 0 BDAERO [NH3+]C[C@@H]1CN(c2cnccn2)C[C@@H]1C(F)(F)F ZINC000720867988 712872043 /nfs/dbraw/zinc/87/20/43/712872043.db2.gz AJWKHKZYNJHDHQ-SFYZADRCSA-N 1 0 246.236 1.050 10 0 BDAERO C(c1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1)C1CCC1 ZINC000721151115 712892757 /nfs/dbraw/zinc/89/27/57/712892757.db2.gz XXXWJJLSVRKBAD-JFGNBEQYSA-N 1 0 233.315 1.735 10 0 BDAERO CO[C@H](c1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1)C1CC1 ZINC000721162388 712893630 /nfs/dbraw/zinc/89/36/30/712893630.db2.gz SWDAOQLZKWVSMA-YTWAJWBKSA-N 1 0 249.314 1.490 10 0 BDAERO C[N@H+](Cc1ccc(C(=O)[O-])cc1)C1CC([NH3+])C1 ZINC000395030471 972772266 /nfs/dbraw/zinc/77/22/66/972772266.db2.gz GXSURSKBPUZIGO-UHFFFAOYSA-N 1 0 234.299 1.306 10 0 BDAERO C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000691357211 976353227 /nfs/dbraw/zinc/35/32/27/976353227.db2.gz ANWWNRQKFJLUQS-JQWIXIFHSA-N 1 0 240.347 1.123 10 0 BDAERO C[C@H](CC[NH2+]C1CCC(C(=O)[O-])CC1)[NH+](C)C ZINC000697825086 976863540 /nfs/dbraw/zinc/86/35/40/976863540.db2.gz FHMNRJPYZDIVOD-VOMCLLRMSA-N 1 0 242.363 1.560 10 0 BDAERO Cc1cc(C)cc(OCC[C@@H](O)C[NH3+])c1 ZINC000019668552 177911719 /nfs/dbraw/zinc/91/17/19/177911719.db2.gz OKVSCNVNNWUCCG-LLVKDONJSA-N 1 0 209.289 1.392 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H]([NH2+]CC)[C@H](C)C1 ZINC000685954933 538899620 /nfs/dbraw/zinc/89/96/20/538899620.db2.gz QORWKTXIGCLVMW-IJLUTSLNSA-N 1 0 247.404 1.978 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@H]1[NH3+] ZINC000685955113 538899882 /nfs/dbraw/zinc/89/98/82/538899882.db2.gz TZEXHALHDNKGOX-IJLUTSLNSA-N 1 0 247.404 1.963 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000685955179 538900467 /nfs/dbraw/zinc/90/04/67/538900467.db2.gz VQOZZSISPZWQMH-OPRDCNLKSA-N 1 0 219.350 1.327 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C[NH3+])C[C@H]1C ZINC000685955256 538900692 /nfs/dbraw/zinc/90/06/92/538900692.db2.gz WUMNVZMGNLABRM-OUAUKWLOSA-N 1 0 233.377 1.575 10 0 BDAERO NCC(F)(F)C[NH+]1CCC2(CC2)CC1 ZINC000685956836 538901343 /nfs/dbraw/zinc/90/13/43/538901343.db2.gz HAFVLXVTVPELCS-UHFFFAOYSA-N 1 0 204.264 1.456 10 0 BDAERO CCOC(=O)C(F)(F)CS[C@H](C)C[NH3+] ZINC000685955531 538901374 /nfs/dbraw/zinc/90/13/74/538901374.db2.gz HGCWAUWQGXJAHC-ZCFIWIBFSA-N 1 0 227.276 1.265 10 0 BDAERO Cc1cc(C)cc([C@H]2C[C@@]2(C[NH3+])CO)c1 ZINC000070500150 177919635 /nfs/dbraw/zinc/91/96/35/177919635.db2.gz WSDVHZJXBASNPV-CHWSQXEVSA-N 1 0 205.301 1.728 10 0 BDAERO CCc1nc(C)cn1CC(F)(F)C[NH3+] ZINC000685956913 538902133 /nfs/dbraw/zinc/90/21/33/538902133.db2.gz LYAGUXIJFQSHKR-UHFFFAOYSA-N 1 0 203.236 1.348 10 0 BDAERO Cc1cc(C)n(-c2nc(C[NH3+])cs2)n1 ZINC000082640768 177920897 /nfs/dbraw/zinc/92/08/97/177920897.db2.gz YMPZVYCYNUESND-UHFFFAOYSA-N 1 0 208.290 1.404 10 0 BDAERO CNCC(F)(F)CN(C)CC(F)(F)F ZINC000685957570 538904884 /nfs/dbraw/zinc/90/48/84/538904884.db2.gz AZIHIRLSWARWCO-UHFFFAOYSA-N 1 0 220.185 1.335 10 0 BDAERO CNCC(F)(F)CN(C)[C@H](C)C1CC1 ZINC000685957695 538904981 /nfs/dbraw/zinc/90/49/81/538904981.db2.gz YDEYDDSVRFOJST-MRVPVSSYSA-N 1 0 206.280 1.571 10 0 BDAERO CNCC(F)(F)CN1CCC(C)(C)C1 ZINC000685957704 538905006 /nfs/dbraw/zinc/90/50/06/538905006.db2.gz YLOKYKCGGGRJIZ-UHFFFAOYSA-N 1 0 206.280 1.573 10 0 BDAERO CNCC(F)(F)CN(C)[C@@H](C)C(C)C ZINC000685957609 538905126 /nfs/dbraw/zinc/90/51/26/538905126.db2.gz CTYNLJOKCJMKEY-VIFPVBQESA-N 1 0 208.296 1.817 10 0 BDAERO CC(C)[NH2+]CC[C@@H](CO)[C@@H]1COC(C)(C)O1 ZINC000685961117 538908111 /nfs/dbraw/zinc/90/81/11/538908111.db2.gz OIJQDUSXRDSKLJ-QWRGUYRKSA-N 1 0 231.336 1.135 10 0 BDAERO Cn1c(Cl)ncc1[C@@H](F)C(C)(C)[NH3+] ZINC000575508640 398137471 /nfs/dbraw/zinc/13/74/71/398137471.db2.gz RKCVUZUXWJKVMP-ZCFIWIBFSA-N 1 0 205.664 1.821 10 0 BDAERO CC(C)(C)[NH2+]CC[C@@H](CO)[C@H]1CCOC1 ZINC000685963159 538910197 /nfs/dbraw/zinc/91/01/97/538910197.db2.gz HUPKGCIPEWHZRU-QWRGUYRKSA-N 1 0 215.337 1.410 10 0 BDAERO c1[nH]nc2c1cncc2C1=CC[NH2+]CC1 ZINC000685952430 538896528 /nfs/dbraw/zinc/89/65/28/538896528.db2.gz KSQJNULSHVIMOG-UHFFFAOYSA-N 1 0 200.245 1.335 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)CC)[C@H](C)C1 ZINC000685952663 538896597 /nfs/dbraw/zinc/89/65/97/538896597.db2.gz BLIUGYYZGXCAIT-GMTAPVOTSA-N 1 0 233.377 1.588 10 0 BDAERO Fc1ccc(-c2n[nH]c3c2C[NH2+]CC3)cn1 ZINC000685952833 538896752 /nfs/dbraw/zinc/89/67/52/538896752.db2.gz QOHLKAZJPUVKKC-UHFFFAOYSA-N 1 0 218.235 1.257 10 0 BDAERO CCc1cc(N[C@@H]2C[C@H]2CO)nc(C)n1 ZINC000309059711 349439229 /nfs/dbraw/zinc/43/92/29/349439229.db2.gz VVHXGESZPOHWFH-WCBMZHEXSA-N 1 0 207.277 1.140 10 0 BDAERO C[C@@H](C(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21)C(C)(C)C ZINC000675057240 538915305 /nfs/dbraw/zinc/91/53/05/538915305.db2.gz ZBFYBILZSBKODB-SRVKXCTJSA-N 1 0 238.375 1.879 10 0 BDAERO [NH3+][C@@H](Cc1nccs1)c1ccccn1 ZINC000036279160 343976821 /nfs/dbraw/zinc/97/68/21/343976821.db2.gz JRZHIVRTTDOTIQ-QMMMGPOBSA-N 1 0 205.286 1.781 10 0 BDAERO Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)c(F)c1 ZINC000685965807 538912134 /nfs/dbraw/zinc/91/21/34/538912134.db2.gz UHQDNIUUROVBIT-JQWIXIFHSA-N 1 0 208.280 1.538 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccco2)C1 ZINC000160794802 538913030 /nfs/dbraw/zinc/91/30/30/538913030.db2.gz IWUDWPXXEWYITQ-VXGBXAGGSA-N 1 0 238.331 1.651 10 0 BDAERO CO[C@@H](C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378701714 346811091 /nfs/dbraw/zinc/81/10/91/346811091.db2.gz NTPBSNYRINXOJY-BJDJZHNGSA-N 1 0 227.348 1.815 10 0 BDAERO COc1cc(OC)c(OC)cc1CC1([NH3+])CC1 ZINC000258135832 349493322 /nfs/dbraw/zinc/49/33/22/349493322.db2.gz ARJSXTHLBQLUAH-UHFFFAOYSA-N 1 0 237.299 1.746 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cncs1 ZINC000161774511 538918312 /nfs/dbraw/zinc/91/83/12/538918312.db2.gz QGSQTMYTHQVZDV-IUCAKERBSA-N 1 0 200.307 1.552 10 0 BDAERO CCC(CC)(CO)[NH2+]CC(=O)N1CCCCC1 ZINC000053070802 168329820 /nfs/dbraw/zinc/32/98/20/168329820.db2.gz QMZJEAFLLHMINY-UHFFFAOYSA-N 1 0 242.363 1.140 10 0 BDAERO Cc1cc(C[NH3+])cc(C)c1O[C@H](C)C(N)=O ZINC000020470710 177981392 /nfs/dbraw/zinc/98/13/92/177981392.db2.gz JOCNGOTXSGSHBS-SECBINFHSA-N 1 0 222.288 1.015 10 0 BDAERO C[NH2+][C@@H](C)CNc1nc(C(C)C)ns1 ZINC000379519844 398150669 /nfs/dbraw/zinc/15/06/69/398150669.db2.gz CEMWTPQIDKRUEI-ZETCQYMHSA-N 1 0 214.338 1.103 10 0 BDAERO Cc1cc(CNC2=[NH+]C[C@@H](C)S2)no1 ZINC000044726655 178018306 /nfs/dbraw/zinc/01/83/06/178018306.db2.gz BVGXWXJCUZIERL-SSDOTTSWSA-N 1 0 211.290 1.564 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2CO)nn1C ZINC000362013280 178032728 /nfs/dbraw/zinc/03/27/28/178032728.db2.gz JCIXKCMMGBOIOV-WCQYABFASA-N 1 0 237.347 1.369 10 0 BDAERO [NH3+]C1CC([C@@H](O)c2occc2Br)C1 ZINC000575516715 398174945 /nfs/dbraw/zinc/17/49/45/398174945.db2.gz CUOBJFVRZVEGLJ-NPWHJSNTSA-N 1 0 246.104 1.813 10 0 BDAERO Cc1cc(CNc2cc(N)cc[nH+]2)on1 ZINC000044988470 178042191 /nfs/dbraw/zinc/04/21/91/178042191.db2.gz WXCXHXPDCAPBAP-UHFFFAOYSA-N 1 0 204.233 1.572 10 0 BDAERO Cc1nc2[nH]ccc2c(N[C@@H]2C[C@H]2CO)n1 ZINC000378735394 346817724 /nfs/dbraw/zinc/81/77/24/346817724.db2.gz MQVDDNFZTDOPLT-IONNQARKSA-N 1 0 218.260 1.059 10 0 BDAERO Cc1cc(Cl)nc(N[C@H]2CC[NH2+]C2)n1 ZINC000095068925 178071861 /nfs/dbraw/zinc/07/18/61/178071861.db2.gz ZTKRPZVJQAZEHT-ZETCQYMHSA-N 1 0 212.684 1.212 10 0 BDAERO COC[C@@H](CC(C)C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000378737166 346818884 /nfs/dbraw/zinc/81/88/84/346818884.db2.gz NJBXRWDBKZWRJT-IJLUTSLNSA-N 1 0 215.337 1.815 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2CCC[C@H](O)C2)CCS1 ZINC000380122749 398188410 /nfs/dbraw/zinc/18/84/10/398188410.db2.gz VBXJCJZKZPOBBZ-WOPDTQHZSA-N 1 0 229.389 1.975 10 0 BDAERO CO[C@](C)(C[N@@H+]1CCN2CCC[C@H]2C1)C1CC1 ZINC000380192892 398189007 /nfs/dbraw/zinc/18/90/07/398189007.db2.gz QAHNWKQMRWYGEE-UONOGXRCSA-N 1 0 238.375 1.582 10 0 BDAERO Cc1cc(F)ccc1[C@@](O)(C[NH3+])C(F)(F)F ZINC000062784431 178092417 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178134004 /nfs/dbraw/zinc/13/40/04/178134004.db2.gz NLHARGHVYJTEJA-VIFPVBQESA-N 1 0 223.276 1.311 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000092349748 178145855 /nfs/dbraw/zinc/14/58/55/178145855.db2.gz RMQQCKGSVJCCEH-MNOVXSKESA-N 1 0 233.315 1.846 10 0 BDAERO Cc1ccc(N2C[C@H](C[NH3+])OC2=O)c(C)c1 ZINC000019669049 538927184 /nfs/dbraw/zinc/92/71/84/538927184.db2.gz WBMZXGYLPIOXKQ-JTQLQIEISA-N 1 0 220.272 1.587 10 0 BDAERO Cc1cc(NC2CC[NH+](C)CC2)nnc1C ZINC000302818872 178155417 /nfs/dbraw/zinc/15/54/17/178155417.db2.gz NQUIYXIOSJKNIH-UHFFFAOYSA-N 1 0 220.320 1.600 10 0 BDAERO Cc1cc(NC[C@@H]2CN(C)CCO2)cc[nH+]1 ZINC000167624746 178166613 /nfs/dbraw/zinc/16/66/13/178166613.db2.gz CLWGWYBUIXQXFG-GFCCVEGCSA-N 1 0 221.304 1.133 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCCCCCC1 ZINC000082920383 136222081 /nfs/dbraw/zinc/22/20/81/136222081.db2.gz WGRUSUWQLOFLID-VXGBXAGGSA-N 1 0 224.348 1.907 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])C1CCCC1 ZINC000082920495 136222125 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/nfs/dbraw/zinc/93/81/68/538938168.db2.gz JSXOYOMFVZIWEY-VXGBXAGGSA-N 1 0 226.364 1.864 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2cc(F)cc(F)c2)C(=O)O1 ZINC000616568699 538938177 /nfs/dbraw/zinc/93/81/77/538938177.db2.gz LVTJJQXJYGFRRN-SNVBAGLBSA-N 1 0 242.225 1.509 10 0 BDAERO Cc1cc([C@H](O)[C@@H](C)[NH3+])c2ccccc2n1 ZINC000083300103 178263888 /nfs/dbraw/zinc/26/38/88/178263888.db2.gz WRSCWSLBULGBKC-NOZJJQNGSA-N 1 0 216.284 1.924 10 0 BDAERO Cc1ccc(-c2c[nH]c(CC[NH3+])n2)cc1 ZINC000036876330 178317642 /nfs/dbraw/zinc/31/76/42/178317642.db2.gz GSRQDIUWXWHWRK-UHFFFAOYSA-N 1 0 201.273 1.886 10 0 BDAERO Cc1noc2ncnc(N[C@@H](C)CC[NH3+])c12 ZINC000381143392 398252468 /nfs/dbraw/zinc/25/24/68/398252468.db2.gz NBMRCYSTZKMGQK-LURJTMIESA-N 1 0 221.264 1.075 10 0 BDAERO C[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000381341275 398253139 /nfs/dbraw/zinc/25/31/39/398253139.db2.gz XSTSIXQGSYHMIR-CMPLNLGQSA-N 1 0 224.348 1.776 10 0 BDAERO Cc1ccc(-c2nnc([C@H](C)[NH3+])[nH]2)cc1F ZINC000061843909 178340990 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/nfs/dbraw/zinc/95/28/31/538952831.db2.gz KIJSZUZZXUZAQF-NXEZZACHSA-N 1 0 205.367 1.866 10 0 BDAERO Cc1ccc(C(=O)CN2CCC[NH2+]CC2)s1 ZINC000050153795 178373159 /nfs/dbraw/zinc/37/31/59/178373159.db2.gz VMBDWVGKBODIJR-UHFFFAOYSA-N 1 0 238.356 1.535 10 0 BDAERO CC(C)(Cc1ccccc1)N1CC[NH2+]CC1 ZINC000071520961 259314682 /nfs/dbraw/zinc/31/46/82/259314682.db2.gz SNJFFIGBJVCSRW-UHFFFAOYSA-N 1 0 218.344 1.913 10 0 BDAERO CCC(CC)[N@H+](CCOC)[C@@](C)(CN)COC ZINC000053198560 168375423 /nfs/dbraw/zinc/37/54/23/168375423.db2.gz SPDVESTWMASUGR-ZDUSSCGKSA-N 1 0 246.395 1.487 10 0 BDAERO CC[C@H](C[NH3+])[C@H](O)c1cc(C)ns1 ZINC000404454333 538955469 /nfs/dbraw/zinc/95/54/69/538955469.db2.gz IOEMQOPNWAFHAX-APPZFPTMSA-N 1 0 200.307 1.470 10 0 BDAERO CC[N@@H+]1CC[C@H](c2ccccc2CO)C1 ZINC000616612937 349606076 /nfs/dbraw/zinc/60/60/76/349606076.db2.gz BQCRZRMFSQWYDD-NSHDSACASA-N 1 0 205.301 1.988 10 0 BDAERO Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1O ZINC000038049012 178424446 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/nfs/dbraw/zinc/75/41/90/342754190.db2.gz BTJQGWSPHDYUSF-ZETCQYMHSA-N 1 0 232.052 1.980 10 0 BDAERO F[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1 ZINC000144944062 342756886 /nfs/dbraw/zinc/75/68/86/342756886.db2.gz AJQFAPDMBFEYRX-NWDGAFQWSA-N 1 0 209.264 1.903 10 0 BDAERO Cn1ccc(-c2ccc(C[NH3+])c(F)c2)n1 ZINC000231978579 342763326 /nfs/dbraw/zinc/76/33/26/342763326.db2.gz LIYUCAXHMDKCFT-UHFFFAOYSA-N 1 0 205.236 1.685 10 0 BDAERO CC(C)OC(=O)[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC000005977113 342772387 /nfs/dbraw/zinc/77/23/87/342772387.db2.gz GSYSEQUYQXPNHH-NWDGAFQWSA-N 1 0 243.347 1.597 10 0 in-vivo BDAERO N[C@H]1C=[NH+]CC(c2ccc3ncccc3c2)=N1 ZINC000146893387 342773035 /nfs/dbraw/zinc/77/30/35/342773035.db2.gz ULHITNFTSZTBHD-CYBMUJFWSA-N 1 0 224.267 1.492 10 0 BDAERO CCC[C@@H]([NH3+])c1ccc(S(C)(=O)=O)nc1 ZINC000147277632 342774390 /nfs/dbraw/zinc/77/43/90/342774390.db2.gz ZONZFSMXMQNIDP-SECBINFHSA-N 1 0 228.317 1.285 10 0 BDAERO Oc1ccc2c(c1)C[C@@H]([NH+]1CCCC1)C2 ZINC000147060899 342774826 /nfs/dbraw/zinc/77/48/26/342774826.db2.gz VHZWOTJVKKCITD-LBPRGKRZSA-N 1 0 203.285 1.955 10 0 BDAERO OCC[NH2+][C@@H]1CCC[C@H]1Oc1ccccc1 ZINC000309653269 342776486 /nfs/dbraw/zinc/77/64/86/342776486.db2.gz UMBLVXGMIQLKJF-CHWSQXEVSA-N 1 0 221.300 1.568 10 0 BDAERO OCC[NH2+][C@H]1CCC[C@@H]1Oc1ccccc1 ZINC000309653275 342776498 /nfs/dbraw/zinc/77/64/98/342776498.db2.gz UMBLVXGMIQLKJF-STQMWFEESA-N 1 0 221.300 1.568 10 0 BDAERO C[C@@H](O)[C@](C)(C[NH3+])Cc1ccc(F)cc1 ZINC000083777617 398285041 /nfs/dbraw/zinc/28/50/41/398285041.db2.gz UDOXWDOIHHWJPS-SKDRFNHKSA-N 1 0 211.280 1.714 10 0 BDAERO C[C@@H](O)[C@@](C)(C[NH3+])Cc1ccc(F)cc1 ZINC000083777619 398285347 /nfs/dbraw/zinc/28/53/47/398285347.db2.gz UDOXWDOIHHWJPS-BXKDBHETSA-N 1 0 211.280 1.714 10 0 BDAERO C[NH2+]Cc1nc2c(s1)[C@H](C)O[C@H](C)C2 ZINC000126881408 342798431 /nfs/dbraw/zinc/79/84/31/342798431.db2.gz NILRTIIFCSZNDK-RQJHMYQMSA-N 1 0 212.318 1.885 10 0 BDAERO CCCc1ccc2c(c1)N1CC[NH2+]C[C@H]1NC2=O ZINC000035924028 342808236 /nfs/dbraw/zinc/80/82/36/342808236.db2.gz ANLHMHPMHIAWQH-ZDUSSCGKSA-N 1 0 245.326 1.118 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000380237531 488181492 /nfs/dbraw/zinc/18/14/92/488181492.db2.gz MSAGEYQXJFUAPY-WOPDTQHZSA-N 1 0 215.337 1.693 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2CCCC[C@@H]2C)C1 ZINC000040637295 538972348 /nfs/dbraw/zinc/97/23/48/538972348.db2.gz ZWDSMGXYFQFYSJ-SRVKXCTJSA-N 1 0 212.337 1.238 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2CCC[C@H](C)C2)C1 ZINC000040637306 538972357 /nfs/dbraw/zinc/97/23/57/538972357.db2.gz XWPOULQUVAQEGF-SRVKXCTJSA-N 1 0 212.337 1.095 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NCC(C)(C)[NH3+] ZINC000236657420 167356679 /nfs/dbraw/zinc/35/66/79/167356679.db2.gz UROXZKFZBMVHHO-VIFPVBQESA-N 1 0 200.326 1.522 10 0 BDAERO COC1(C[NH2+][C@H]2CCC[C@@H](O)C2)CCCC1 ZINC000378678194 538973633 /nfs/dbraw/zinc/97/36/33/538973633.db2.gz RVNZPAHZEOLVOD-NWDGAFQWSA-N 1 0 227.348 1.839 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000380242392 538987929 /nfs/dbraw/zinc/98/79/29/538987929.db2.gz NLSIBJRFNPPKGM-HBNTYKKESA-N 1 0 212.337 1.665 10 0 BDAERO CC[N@H+]1C[C@H](NCc2cocn2)[C@@H](C)C1 ZINC000380341776 538989040 /nfs/dbraw/zinc/98/90/40/538989040.db2.gz RUTHWXLDVYKTJL-ONGXEEELSA-N 1 0 209.293 1.104 10 0 BDAERO COCC[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000045037567 538990583 /nfs/dbraw/zinc/99/05/83/538990583.db2.gz YKUKCKZBAZMFAH-QWRGUYRKSA-N 1 0 201.310 1.570 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccccn2)C1 ZINC000379979751 538983251 /nfs/dbraw/zinc/98/32/51/538983251.db2.gz GSHMIUWWXNBUNW-GHMZBOCLSA-N 1 0 205.305 1.834 10 0 BDAERO OCC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000379996223 538983387 /nfs/dbraw/zinc/98/33/87/538983387.db2.gz JNVRNJNNQJZDTA-MNOVXSKESA-N 1 0 215.312 1.877 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+]CCCF)[C@@H](C)C1 ZINC000380031888 538984247 /nfs/dbraw/zinc/98/42/47/538984247.db2.gz QNKCJFJNUJABKR-ONGXEEELSA-N 1 0 216.300 1.193 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+]C2CC(C)C2)[C@@H](C)C1 ZINC000381460489 539001122 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538999231 /nfs/dbraw/zinc/99/92/31/538999231.db2.gz DYNRCEKXKSBTOT-YUMQZZPRSA-N 1 0 243.269 1.295 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+]CC1(C)CC1)CC2 ZINC000381403878 539000438 /nfs/dbraw/zinc/00/04/38/539000438.db2.gz RVUSHACKOSWBGG-SNVBAGLBSA-N 1 0 220.320 1.291 10 0 BDAERO c1nc2c([nH]1)[C@]1(C[C@@H]3CC[C@@H](C3)C1)[NH2+]CC2 ZINC000711044331 539028361 /nfs/dbraw/zinc/02/83/61/539028361.db2.gz QPLWBYGMYBRGTG-DDFAGTSDSA-N 1 0 217.316 1.961 10 0 BDAERO CCOC1CC(C[NH2+][C@@H](C)COC)C1 ZINC000389240579 539015500 /nfs/dbraw/zinc/01/55/00/539015500.db2.gz YDBGGAJQYJAVIR-WHXUTIOJSA-N 1 0 201.310 1.426 10 0 BDAERO CCCC[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000389859900 539018020 /nfs/dbraw/zinc/01/80/20/539018020.db2.gz CTYCRASDXSQPTD-ZYHUDNBSSA-N 1 0 212.337 1.633 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ncccn2)C1 ZINC000389999740 539019608 /nfs/dbraw/zinc/01/96/08/539019608.db2.gz RYOSZFXKUHRLCQ-NXEZZACHSA-N 1 0 206.293 1.229 10 0 BDAERO C[C@H]1CCC[C@@H]([N@H+](C)CC(N)=S)C1 ZINC000042493134 362002949 /nfs/dbraw/zinc/00/29/49/362002949.db2.gz YFKFYQKVHCDOMS-DTWKUNHWSA-N 1 0 200.351 1.783 10 0 BDAERO C[C@@H](CC(N)=S)[N@@H+]1CCOCC1(C)C ZINC000042462145 362001625 /nfs/dbraw/zinc/00/16/25/362001625.db2.gz JCKFVIZVUBFTSX-QMMMGPOBSA-N 1 0 216.350 1.162 10 0 BDAERO O=C1N(Cc2ccccc2)CC[C@@]12CC[NH2+]2 ZINC000238653441 259325655 /nfs/dbraw/zinc/32/56/55/259325655.db2.gz AIBXTLDGJCXOSY-ZDUSSCGKSA-N 1 0 216.284 1.151 10 0 BDAERO C[C@@H]1C[N@H+](C)C[C@]1(O)c1ccc(F)cc1 ZINC000521401565 398305249 /nfs/dbraw/zinc/30/52/49/398305249.db2.gz JBHANHZRXGDCOT-BXKDBHETSA-N 1 0 209.264 1.595 10 0 BDAERO CC(C)[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCCO1 ZINC000382111330 398305982 /nfs/dbraw/zinc/30/59/82/398305982.db2.gz KORAPYBDYTYOMH-JHJVBQTASA-N 1 0 227.348 1.647 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@H]2CCO[C@@H]2C)S1 ZINC000134578592 342869892 /nfs/dbraw/zinc/86/98/92/342869892.db2.gz PPWMQRACXXKCED-PRJMDXOYSA-N 1 0 200.307 1.245 10 0 BDAERO [NH3+][C@@H](Cc1cncs1)[C@@H]1CCSC1 ZINC000164948681 342860595 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/nfs/dbraw/zinc/96/39/34/342963934.db2.gz BYGMRKAUFUVEMG-GFCCVEGCSA-N 1 0 222.357 1.932 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000048322734 342980748 /nfs/dbraw/zinc/98/07/48/342980748.db2.gz OEGGUTFGJNXQQM-SSDOTTSWSA-N 1 0 244.241 1.834 10 0 BDAERO Cc1cc2c(c3c1CCC3)O[C@@H](C[NH3+])C2 ZINC000036437260 343000846 /nfs/dbraw/zinc/00/08/46/343000846.db2.gz HGQSOMIHGGPZNJ-SNVBAGLBSA-N 1 0 203.285 1.746 10 0 BDAERO COc1cc(CC[NH3+])ccc1OC(C)C ZINC000011805733 343020042 /nfs/dbraw/zinc/02/00/42/343020042.db2.gz HJGNAXXDNNYRNN-UHFFFAOYSA-N 1 0 209.289 1.984 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@@H]1[NH3+] ZINC000235368929 343011374 /nfs/dbraw/zinc/01/13/74/343011374.db2.gz HGKQPOXOZQWJJI-SKDRFNHKSA-N 1 0 243.310 1.587 10 0 BDAERO O=C1C[C@@H](CN2CC[NH2+]CC2)Cc2ccccc21 ZINC000021987133 343047744 /nfs/dbraw/zinc/04/77/44/343047744.db2.gz YICFCGVANOMLFK-LBPRGKRZSA-N 1 0 244.338 1.337 10 0 BDAERO C[C@H]1CN(S(=O)(=O)CCC(C)(C)C)C[C@@H]1[NH3+] ZINC000235610665 343054894 /nfs/dbraw/zinc/05/48/94/343054894.db2.gz LHOBYCUHHMLZAN-UWVGGRQHSA-N 1 0 248.392 1.031 10 0 BDAERO CCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247073798 343063262 /nfs/dbraw/zinc/06/32/62/343063262.db2.gz HPKDZLCXAPVEOF-VXGBXAGGSA-N 1 0 239.363 1.665 10 0 BDAERO C[C@H]1CC[C@@H](C[NH3+])N(C(=O)OC(C)(C)C)C1 ZINC000084237669 343073988 /nfs/dbraw/zinc/07/39/88/343073988.db2.gz VZHHTXZFXGAUDW-UWVGGRQHSA-N 1 0 228.336 1.981 10 0 BDAERO CNc1c(N)c[nH+]c2cc(C)cc(C)c21 ZINC000584882117 343082701 /nfs/dbraw/zinc/08/27/01/343082701.db2.gz NMRBTISARKLIND-UHFFFAOYSA-N 1 0 201.273 1.897 10 0 BDAERO CCOC(=O)[C@H]1C[Si]2(CCCC2)C[NH2+]1 ZINC000584881638 343082929 /nfs/dbraw/zinc/08/29/29/343082929.db2.gz YMADUFJEQFIZDD-SECBINFHSA-N 1 0 213.353 1.303 10 0 BDAERO CC(C)c1ncc(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000308847681 346925007 /nfs/dbraw/zinc/92/50/07/346925007.db2.gz MVHLAMNHCXNHQL-WCBMZHEXSA-N 1 0 226.345 1.737 10 0 BDAERO CC(C)(CO)S[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000306668824 362028291 /nfs/dbraw/zinc/02/82/91/362028291.db2.gz GEQWIPPISPLIMS-RKDXNWHRSA-N 1 0 203.351 1.760 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CCC1 ZINC000584883019 343085824 /nfs/dbraw/zinc/08/58/24/343085824.db2.gz DVKYAKQGSMTWNZ-NWDGAFQWSA-N 1 0 215.337 1.287 10 0 BDAERO CC[C@H](C)[C@@](C)(O)C[C@@H](O)C[NH2+]C(C)C ZINC000584883302 343086233 /nfs/dbraw/zinc/08/62/33/343086233.db2.gz LSBSGLVOZXDEPF-TUAOUCFPSA-N 1 0 217.353 1.533 10 0 BDAERO CC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CCCCC1 ZINC000584883479 343086235 /nfs/dbraw/zinc/08/62/35/343086235.db2.gz PGILNEANGNCZHI-QWHCGFSZSA-N 1 0 229.364 1.678 10 0 BDAERO CON(C)C(=O)C[C@H](C[NH3+])C1CCCC1 ZINC000584883314 343086276 /nfs/dbraw/zinc/08/62/76/343086276.db2.gz PJDLRFFWEZXPNR-SNVBAGLBSA-N 1 0 214.309 1.161 10 0 BDAERO CC[NH2+]C[C@@H](O)C[C@@](O)(CC)C(C)(C)C ZINC000584883604 343086647 /nfs/dbraw/zinc/08/66/47/343086647.db2.gz WOTHHDUTTCZYMW-JQWIXIFHSA-N 1 0 217.353 1.534 10 0 BDAERO Cc1ccc(C)c(O[C@H]2COCC[C@@H]2[NH3+])c1 ZINC000036305763 178491258 /nfs/dbraw/zinc/49/12/58/178491258.db2.gz BEMAZLVHYHQHIK-AAEUAGOBSA-N 1 0 221.300 1.798 10 0 BDAERO CCOc1cc(OC)c(C[C@@H](C)[NH3+])cc1OC ZINC000013450434 343088597 /nfs/dbraw/zinc/08/85/97/343088597.db2.gz ITZLAXJQDMGDEO-SECBINFHSA-N 1 0 239.315 1.992 10 0 BDAERO CCCN(c1ncc(C)c(C)n1)[C@H]1CC[NH2+]C1 ZINC000386665311 343089130 /nfs/dbraw/zinc/08/91/30/343089130.db2.gz NCGIUMZQMGXQQY-LBPRGKRZSA-N 1 0 234.347 1.672 10 0 BDAERO CC(C)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000306901864 343076572 /nfs/dbraw/zinc/07/65/72/343076572.db2.gz HEDJBQMQCVXLPB-UWVGGRQHSA-N 1 0 228.336 1.898 10 0 BDAERO C1CC[C@@H]2[NH2+]CC[C@H](N3CCOCC3)[C@@H]2C1 ZINC000250831358 343077136 /nfs/dbraw/zinc/07/71/36/343077136.db2.gz JFGNOTYXPQYBOV-AGIUHOORSA-N 1 0 224.348 1.239 10 0 BDAERO CCOC(OCC)C(=O)C[C@H]1CCC[N@H+](C)C1 ZINC000043504139 343100246 /nfs/dbraw/zinc/10/02/46/343100246.db2.gz AQFSDPWPLBXYQB-LLVKDONJSA-N 1 0 243.347 1.687 10 0 BDAERO Cc1ccc(C)c(S(=O)(=O)CCCC[NH3+])c1 ZINC000020223523 178493419 /nfs/dbraw/zinc/49/34/19/178493419.db2.gz VMANWJOIMRMPDO-UHFFFAOYSA-N 1 0 241.356 1.816 10 0 BDAERO CCc1c[nH]c(-c2cccc(NCC[NH3+])n2)n1 ZINC000143160237 343117558 /nfs/dbraw/zinc/11/75/58/343117558.db2.gz UFOPFDNIVNTMRH-UHFFFAOYSA-N 1 0 231.303 1.405 10 0 BDAERO CSC[C@@H](C)Nc1cc[nH+]c(NN)c1 ZINC000128348009 346927710 /nfs/dbraw/zinc/92/77/10/346927710.db2.gz YSMDPETVWXIVID-SSDOTTSWSA-N 1 0 212.322 1.531 10 0 BDAERO CC(C)=CCCn1cc(C(C)(C)[NH3+])nn1 ZINC000640946426 362088588 /nfs/dbraw/zinc/08/85/88/362088588.db2.gz ZCYHGNBOOJKSPG-UHFFFAOYSA-N 1 0 208.309 1.828 10 0 BDAERO CCS(=O)(=O)c1c(C)cc(Cl)cc1C[NH3+] ZINC000143532675 343125918 /nfs/dbraw/zinc/12/59/18/343125918.db2.gz VRFQMPKTKZRBPQ-UHFFFAOYSA-N 1 0 247.747 1.901 10 0 BDAERO OC1(Cc2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000127827119 343179084 /nfs/dbraw/zinc/17/90/84/343179084.db2.gz FPSJJEXZJYXRCL-UHFFFAOYSA-N 1 0 227.254 1.622 10 0 BDAERO c1cnc2nc(NCC3CC[NH2+]CC3)ccc2n1 ZINC000094726303 343156559 /nfs/dbraw/zinc/15/65/59/343156559.db2.gz YYGCOSYXBBVVAQ-UHFFFAOYSA-N 1 0 243.314 1.436 10 0 BDAERO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N(C)C)cc1 ZINC000123744142 343166067 /nfs/dbraw/zinc/16/60/67/343166067.db2.gz IVILBTBJWSNAJY-JTQLQIEISA-N 1 0 235.331 1.172 10 0 BDAERO CC[C@H]([NH3+])CNc1ccc(C(=O)OC)c(C)n1 ZINC000124440889 343167900 /nfs/dbraw/zinc/16/79/00/343167900.db2.gz UVCAGVANOYOJKE-VIFPVBQESA-N 1 0 237.303 1.326 10 0 BDAERO COC(=O)c1ccc(NC[C@H]2CCC[NH2+]2)nc1C ZINC000124434665 343167930 /nfs/dbraw/zinc/16/79/30/343167930.db2.gz UADFALGNANXXQC-SNVBAGLBSA-N 1 0 249.314 1.341 10 0 BDAERO CCC1(C[NH2+][C@@H]2C[C@H]2CO)CCOCC1 ZINC000379927370 365738845 /nfs/dbraw/zinc/73/88/45/365738845.db2.gz MEEJIIMODDJZDS-WDEREUQCSA-N 1 0 213.321 1.164 10 0 BDAERO C[NH2+][C@@H]1CCN(c2ncnc3ccccc32)C1 ZINC000129137792 343176190 /nfs/dbraw/zinc/17/61/90/343176190.db2.gz SDRLBTSZBSYJDP-SNVBAGLBSA-N 1 0 228.299 1.428 10 0 BDAERO CC(C)[C@H](C)CC(=O)NCC[C@H](C)[NH3+] ZINC000178701560 534933684 /nfs/dbraw/zinc/93/36/84/534933684.db2.gz IXBATXPLWVVLPL-ZJUUUORDSA-N 1 0 200.326 1.522 10 0 BDAERO Cc1nnc(N[C@H](C)C[C@@H](C)[NH3+])nc1C ZINC000159039748 343201372 /nfs/dbraw/zinc/20/13/72/343201372.db2.gz UWCJWZHHGXVVIN-RNFRBKRXSA-N 1 0 209.297 1.026 10 0 BDAERO Cc1cccc(CN[C@H]2CCC[NH2+]CC2)n1 ZINC000162228577 343205208 /nfs/dbraw/zinc/20/52/08/343205208.db2.gz FXUJOSBUSUAECO-LBPRGKRZSA-N 1 0 219.332 1.622 10 0 BDAERO CCCn1cnnc1CC1CC[NH2+]CC1 ZINC000086573483 136280934 /nfs/dbraw/zinc/28/09/34/136280934.db2.gz LBRSBRDBELOEMV-UHFFFAOYSA-N 1 0 208.309 1.230 10 0 BDAERO COC(=O)C[C@](C)([NH3+])c1ccnc(Cl)c1 ZINC000238377906 343255757 /nfs/dbraw/zinc/25/57/57/343255757.db2.gz RXWKWEDULJZJBW-JTQLQIEISA-N 1 0 228.679 1.472 10 0 BDAERO Cc1ccc(COC(=O)CCC(=O)C[NH3+])cc1 ZINC000033975811 343263392 /nfs/dbraw/zinc/26/33/92/343263392.db2.gz GYWWJKDBTOBIKC-UHFFFAOYSA-N 1 0 235.283 1.346 10 0 BDAERO CC[NH+]1CCC(O)(c2cccc(OC)c2)CC1 ZINC000034111834 343264636 /nfs/dbraw/zinc/26/46/36/343264636.db2.gz JEILUSZIWAFOGL-UHFFFAOYSA-N 1 0 235.327 1.999 10 0 BDAERO [NH3+]C[C@H](c1c[nH]cn1)N1CCOc2ccccc21 ZINC000200227777 343274949 /nfs/dbraw/zinc/27/49/49/343274949.db2.gz FMJHMAJJRBJCCT-GFCCVEGCSA-N 1 0 244.298 1.309 10 0 BDAERO C[C@H]1C[C@H](C)[N@H+](CCC2CS(=O)(=O)C2)C1 ZINC000335687865 136323624 /nfs/dbraw/zinc/32/36/24/136323624.db2.gz VHLOCTWGFQFAIY-UWVGGRQHSA-N 1 0 231.361 1.151 10 0 BDAERO Cc1ccc(CCC(=O)N(C)C2C[NH2+]C2)cc1 ZINC000090289805 178523753 /nfs/dbraw/zinc/52/37/53/178523753.db2.gz CCZUYTOFYYEKCW-UHFFFAOYSA-N 1 0 232.327 1.358 10 0 BDAERO Clc1ccc2c(c1)CCN1CC[NH2+]C[C@H]21 ZINC000040443251 343403358 /nfs/dbraw/zinc/40/33/58/343403358.db2.gz SCEAPIGTKQBCEP-GFCCVEGCSA-N 1 0 222.719 1.842 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000082394410 343440620 /nfs/dbraw/zinc/44/06/20/343440620.db2.gz MZIIJGZCLAQAQN-SNVBAGLBSA-N 1 0 225.361 1.717 10 0 BDAERO CCN1CC[N@H+](C2CCCC2)[C@H](C)C1=O ZINC000335729730 136348149 /nfs/dbraw/zinc/34/81/49/136348149.db2.gz IJTVGPBIGLZDMA-SNVBAGLBSA-N 1 0 210.321 1.482 10 0 BDAERO COC(C)(C)C[C@@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000042545299 343443074 /nfs/dbraw/zinc/44/30/74/343443074.db2.gz BJBKCVVGFIFJTQ-MNOVXSKESA-N 1 0 214.353 1.484 10 0 BDAERO c1nnc(SCC2CC[NH2+]CC2)s1 ZINC000043498117 343475949 /nfs/dbraw/zinc/47/59/49/343475949.db2.gz KKCORNNSKBMCIQ-UHFFFAOYSA-N 1 0 215.347 1.630 10 0 BDAERO CC(C)C[C@@H](CO)[NH2+]CC1(O)CCCC1 ZINC000083586995 343489688 /nfs/dbraw/zinc/48/96/88/343489688.db2.gz VSZHPWUKJKUBRT-NSHDSACASA-N 1 0 215.337 1.288 10 0 BDAERO CC[C@H](C[NH3+])C(=O)N[C@H](C)c1ccccc1 ZINC000044793817 343514699 /nfs/dbraw/zinc/51/46/99/343514699.db2.gz GQUDXODUSLUDIX-GHMZBOCLSA-N 1 0 220.316 1.849 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1ccccn1 ZINC000616638566 343528881 /nfs/dbraw/zinc/52/88/81/343528881.db2.gz YPBRWHMGPYGTTK-LBPRGKRZSA-N 1 0 219.332 1.826 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@H](c2conn2)CC1 ZINC000616665830 343533895 /nfs/dbraw/zinc/53/38/95/343533895.db2.gz ZLLSUHFOOCXEHO-JTQLQIEISA-N 1 0 225.292 1.632 10 0 BDAERO N[C@@H]([C@H]([NH3+])c1ccccc1)C(F)(F)F ZINC000047845204 343566729 /nfs/dbraw/zinc/56/67/29/343566729.db2.gz VFHLHVFEVZICPZ-SFYZADRCSA-N 1 0 204.195 1.576 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000624235841 343579251 /nfs/dbraw/zinc/57/92/51/343579251.db2.gz QRXGAOSLVPLLIC-QLFBSQMISA-N 1 0 247.338 1.803 10 0 BDAERO C[C@H]1C[C@@]2(CN1C)[NH2+]CCc1ccsc12 ZINC000712559656 537792356 /nfs/dbraw/zinc/79/23/56/537792356.db2.gz YGXAGTIZHZIZFN-CABZTGNLSA-N 1 0 222.357 1.813 10 0 BDAERO CN1CC[NH+]([C@H]2CCCc3ccc(N)cc32)CC1 ZINC000167790225 343605131 /nfs/dbraw/zinc/60/51/31/343605131.db2.gz KEJNMVNVPVRJHL-HNNXBMFYSA-N 1 0 245.370 1.894 10 0 BDAERO FC(F)(F)c1ccnc([C@@H]2CC[NH2+]C2)n1 ZINC000147380855 537794261 /nfs/dbraw/zinc/79/42/61/537794261.db2.gz BSKVXERQVWIOBC-ZCFIWIBFSA-N 1 0 217.194 1.572 10 0 BDAERO CC(C)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087121732 343637672 /nfs/dbraw/zinc/63/76/72/343637672.db2.gz CYMLQZOVHYQQLB-MNOVXSKESA-N 1 0 212.337 1.537 10 0 BDAERO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)sn1 ZINC000399162050 488227795 /nfs/dbraw/zinc/22/77/95/488227795.db2.gz JDOKKCZMVWHAEP-PSASIEDQSA-N 1 0 242.344 1.809 10 0 BDAERO CCC(CC)[C@@H]1C[C@H](NC(=O)[C@@H](C)[NH3+])CCO1 ZINC000158258116 133500305 /nfs/dbraw/zinc/50/03/05/133500305.db2.gz MHYYUANPMNUPCD-JLLWLGSASA-N 1 0 242.363 1.434 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])c2cccc(Cl)c2[S@@]1=O ZINC000043636824 343633915 /nfs/dbraw/zinc/63/39/15/343633915.db2.gz FORDUYOSLMRTFO-QLUWQSJHSA-N 1 0 215.705 1.850 10 0 BDAERO CCc1ccc(-c2nc(CN)no2)s1 ZINC000043640569 343653023 /nfs/dbraw/zinc/65/30/23/343653023.db2.gz XXVYFSFKSKMUJI-UHFFFAOYSA-N 1 0 209.274 1.819 10 0 BDAERO CCOC(=O)C/C=C/C[NH+]1CCCCC1 ZINC000261328242 349828292 /nfs/dbraw/zinc/82/82/92/349828292.db2.gz SCINWFBJCYMTTE-QPJJXVBHSA-N 1 0 211.305 1.982 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1C(=O)OC ZINC000054072406 343655104 /nfs/dbraw/zinc/65/51/04/343655104.db2.gz HPWCDLHCFHTZTN-MRVPVSSYSA-N 1 0 236.271 1.020 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1ccnc(C)n1 ZINC000087780245 343660416 /nfs/dbraw/zinc/66/04/16/343660416.db2.gz TXCFKPAQVYGSJI-SNVBAGLBSA-N 1 0 208.309 1.714 10 0 BDAERO CCc1cnc(CNC2=[NH+]CCS2)s1 ZINC000234217023 343686234 /nfs/dbraw/zinc/68/62/34/343686234.db2.gz AYCFMQJBOIMLEY-UHFFFAOYSA-N 1 0 227.358 1.898 10 0 BDAERO CS[C@@H](C)CNC(=O)C1CCC([NH3+])CC1 ZINC000083944664 343687350 /nfs/dbraw/zinc/68/73/50/343687350.db2.gz LAVFAMVNNXTATD-IDKOKCKLSA-N 1 0 230.377 1.372 10 0 BDAERO CC(C)CC(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000124390943 537805747 /nfs/dbraw/zinc/80/57/47/537805747.db2.gz WVCLFJJENVBPNV-LLVKDONJSA-N 1 0 212.337 1.762 10 0 BDAERO CC[NH+](CC)C[C@H](C)NCc1cnn(C)c1C ZINC000093650214 537806627 /nfs/dbraw/zinc/80/66/27/537806627.db2.gz XHETVBNCBSLUQV-NSHDSACASA-N 1 0 238.379 1.548 10 0 BDAERO Cc1ccc(CN2C[C@@H]([NH3+])CC2=O)cc1 ZINC000009280445 178585983 /nfs/dbraw/zinc/58/59/83/178585983.db2.gz DRIOZWZFPKFQQC-NSHDSACASA-N 1 0 204.273 1.055 10 0 BDAERO CN(c1cc(Cl)ncn1)C1CC[NH+](C)CC1 ZINC000048631164 343782167 /nfs/dbraw/zinc/78/21/67/343782167.db2.gz JKNBNTHDCNWOCB-UHFFFAOYSA-N 1 0 240.738 1.660 10 0 BDAERO CC(C)(C)C(=O)C[NH+]1CCC(CO)CC1 ZINC000050131939 343782635 /nfs/dbraw/zinc/78/26/35/343782635.db2.gz DRHWLHUWGNBEAU-UHFFFAOYSA-N 1 0 213.321 1.306 10 0 BDAERO C[N@@H+]1CC[C@@]2(CC(=O)NC2=O)[C@H]1c1ccccc1 ZINC000102132585 343785485 /nfs/dbraw/zinc/78/54/85/343785485.db2.gz LKIWSDNHKKUEMY-TZMCWYRMSA-N 1 0 244.294 1.096 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H](C2CC2)[C@H]([NH3+])C1 ZINC000144133038 343785563 /nfs/dbraw/zinc/78/55/63/343785563.db2.gz AODHHHHJHRBGHB-VHSXEESVSA-N 1 0 226.320 1.591 10 0 BDAERO C[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000109495199 343786379 /nfs/dbraw/zinc/78/63/79/343786379.db2.gz VPQGSNGBUCBCQT-WDEREUQCSA-N 1 0 244.298 1.987 10 0 BDAERO CCC[C@H](C[NH3+])[C@@H](O)[C@H]1CCSC1 ZINC000300234089 537813928 /nfs/dbraw/zinc/81/39/28/537813928.db2.gz SWGWTTXAMIOMAI-KXUCPTDWSA-N 1 0 203.351 1.475 10 0 BDAERO CCc1cc(CC)n([C@@H]2CCC[NH2+]C2)n1 ZINC000132499075 343788260 /nfs/dbraw/zinc/78/82/60/343788260.db2.gz WCGMQUZMFINBPO-GFCCVEGCSA-N 1 0 207.321 1.932 10 0 BDAERO c1cnc2sc(NC3CC[NH2+]CC3)nc2c1 ZINC000147779259 343788820 /nfs/dbraw/zinc/78/88/20/343788820.db2.gz QAAVUGDWCMELKU-UHFFFAOYSA-N 1 0 234.328 1.855 10 0 BDAERO [NH3+]Cc1cnn(CCCc2ccccc2)c1 ZINC000054716751 343789442 /nfs/dbraw/zinc/78/94/42/343789442.db2.gz PYFYWGKDJJUCIQ-UHFFFAOYSA-N 1 0 215.300 1.975 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC(C(F)F)CC1 ZINC000307881524 343790072 /nfs/dbraw/zinc/79/00/72/343790072.db2.gz FLSQDSVNOBKUGO-VIFPVBQESA-N 1 0 232.274 1.100 10 0 BDAERO CC(C)(C)OC(=O)NC[C@]12CC[C@H]1C[NH2+]C2 ZINC000199553504 343791851 /nfs/dbraw/zinc/79/18/51/343791851.db2.gz SRIHMDKPBXOVAD-JOYOIKCWSA-N 1 0 226.320 1.511 10 0 BDAERO C[NH2+]CCc1cn(C)nc1-c1cccnc1 ZINC000221126636 343793202 /nfs/dbraw/zinc/79/32/02/343793202.db2.gz PIYUOFASGWOFNW-UHFFFAOYSA-N 1 0 216.288 1.244 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCC(CCF)CC1 ZINC000409427223 343800525 /nfs/dbraw/zinc/80/05/25/343800525.db2.gz KBQLGIGMQIHXDL-LBPRGKRZSA-N 1 0 242.338 1.584 10 0 BDAERO CCOc1cccc([C@@H]2C[NH2+]C[C@H]2N)c1 ZINC000409422942 343814449 /nfs/dbraw/zinc/81/44/49/343814449.db2.gz NBRKGCXYEGOJKJ-NWDGAFQWSA-N 1 0 206.289 1.099 10 0 BDAERO COc1cccc([C@H]2C[NH2+]C[C@H]2CF)c1 ZINC000409423297 343815400 /nfs/dbraw/zinc/81/54/00/343815400.db2.gz PRCBWHQGYLDTLR-ZYHUDNBSSA-N 1 0 209.264 1.968 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1cccc(SC)c1 ZINC000238333344 537820861 /nfs/dbraw/zinc/82/08/61/537820861.db2.gz XZGFZYZEOTXDME-SNVBAGLBSA-N 1 0 225.313 1.971 10 0 BDAERO CCCn1cccc1-c1noc(C[NH2+]C)n1 ZINC000409424074 343816823 /nfs/dbraw/zinc/81/68/23/343816823.db2.gz XEZCNNFJVMJYDQ-UHFFFAOYSA-N 1 0 220.276 1.668 10 0 BDAERO CCOc1cccc2c1CCN2C(N)=[NH2+] ZINC000409425490 343819178 /nfs/dbraw/zinc/81/91/78/343819178.db2.gz GETPPNPJHFUREP-UHFFFAOYSA-N 1 0 205.261 1.341 10 0 BDAERO FC(F)c1cccnc1N1CC[NH2+]CC1 ZINC000409432335 343826014 /nfs/dbraw/zinc/82/60/14/343826014.db2.gz NNCLRPOPXYYHQN-UHFFFAOYSA-N 1 0 213.231 1.429 10 0 BDAERO COCc1ccc2c(c1)N(C(=O)[C@H](C)[NH3+])CC2 ZINC000409432290 343826092 /nfs/dbraw/zinc/82/60/92/343826092.db2.gz KYSDHAQBDHIYIA-VIFPVBQESA-N 1 0 234.299 1.069 10 0 BDAERO C[NH2+]CC(=O)N1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409428628 343804077 /nfs/dbraw/zinc/80/40/77/343804077.db2.gz MRBIEBCJSNLTDN-RKDXNWHRSA-N 1 0 232.274 1.100 10 0 BDAERO CN(C(=O)[C@@H]1CCC[NH2+]C1)C1CCSCC1 ZINC000403670198 343811654 /nfs/dbraw/zinc/81/16/54/343811654.db2.gz FBRVYLHISSVNIB-SNVBAGLBSA-N 1 0 242.388 1.340 10 0 BDAERO Cc1nn2ccn(CC3CC3)c2c1C(N)=[NH2+] ZINC000409439984 343853995 /nfs/dbraw/zinc/85/39/95/343853995.db2.gz UVLHCWIVRPNTMF-UHFFFAOYSA-N 1 0 217.276 1.138 10 0 BDAERO CC(C)(C)c1nc([C@@H]2CCC[C@H]2[NH3+])no1 ZINC000409442148 343857341 /nfs/dbraw/zinc/85/73/41/343857341.db2.gz TVCYBAKQHKGTLT-HTQZYQBOSA-N 1 0 209.293 1.962 10 0 BDAERO Nc1cc(C2CCC2)nn1C[C@@H]1CCCC[NH2+]1 ZINC000409441129 343854946 /nfs/dbraw/zinc/85/49/46/343854946.db2.gz WPAACZFZWKJMIV-NSHDSACASA-N 1 0 234.347 1.875 10 0 BDAERO CCO[C@]1(C(F)(F)F)CCN(CCC[NH3+])C1 ZINC000409434552 343832315 /nfs/dbraw/zinc/83/23/15/343832315.db2.gz PUHSFJAWBULANT-SECBINFHSA-N 1 0 240.269 1.379 10 0 BDAERO CC1(CF)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000409435368 343833124 /nfs/dbraw/zinc/83/31/24/343833124.db2.gz UHBXPVKYKRFZPA-JTQLQIEISA-N 1 0 228.311 1.337 10 0 BDAERO c1nn(C[C@H]2CCC[NH2+]2)cc1-c1cccnc1 ZINC000409437051 343842329 /nfs/dbraw/zinc/84/23/29/343842329.db2.gz DAUSDVSVWVDUMM-CYBMUJFWSA-N 1 0 228.299 1.697 10 0 BDAERO Cn1cccc1[C@@H](C(=N)NO)n1cccc1 ZINC000409437638 343842882 /nfs/dbraw/zinc/84/28/82/343842882.db2.gz AMNMUCMVDOJWJS-JTQLQIEISA-N 1 0 218.260 1.372 10 0 BDAERO CCc1[nH]nc(-c2ccco2)c1CC[NH3+] ZINC000409438706 343844927 /nfs/dbraw/zinc/84/49/27/343844927.db2.gz FGHVLBSZAMKCFA-UHFFFAOYSA-N 1 0 205.261 1.733 10 0 BDAERO CN(C)c1ccc([C@@H](C[NH3+])N2CCCCC2)o1 ZINC000409438971 343845816 /nfs/dbraw/zinc/84/58/16/343845816.db2.gz FJAQHQYOPUUCIX-LLVKDONJSA-N 1 0 237.347 1.831 10 0 BDAERO CC(C)n1nc2c(c1C(N)=[NH2+])CSCC2 ZINC000409438860 343846058 /nfs/dbraw/zinc/84/60/58/343846058.db2.gz MRQBUIQJZWOPSU-UHFFFAOYSA-N 1 0 224.333 1.537 10 0 BDAERO CC(C)(C)c1cc(N)n(C[C@H]2CCC[NH2+]C2)n1 ZINC000409439177 343846584 /nfs/dbraw/zinc/84/65/84/343846584.db2.gz ODMHTJSQSYIBKL-JTQLQIEISA-N 1 0 236.363 1.762 10 0 BDAERO Nc1cc(-c2cccs2)nn1C[C@H]1CCC[NH2+]1 ZINC000409437784 343849038 /nfs/dbraw/zinc/84/90/38/343849038.db2.gz ITVCWDIPZLTPJX-SECBINFHSA-N 1 0 248.355 1.946 10 0 BDAERO Cn1cc(CC(N)=[NH2+])c(-c2cccs2)n1 ZINC000409438030 343849462 /nfs/dbraw/zinc/84/94/62/343849462.db2.gz JRTJNZSRFVKUPX-UHFFFAOYSA-N 1 0 220.301 1.627 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CCCOC1 ZINC000109548995 537829640 /nfs/dbraw/zinc/82/96/40/537829640.db2.gz OGKGMYRWWDYGRF-NEPJUHHUSA-N 1 0 240.347 1.061 10 0 BDAERO [NH3+]Cc1c2c(nn1CC1CC1)CCCC2 ZINC000409441478 343859675 /nfs/dbraw/zinc/85/96/75/343859675.db2.gz YJJZFSYNMFDPHR-UHFFFAOYSA-N 1 0 205.305 1.631 10 0 BDAERO c1[nH]nc(C2CCC2)c1CN1CC[NH2+]CC1 ZINC000409441551 343859715 /nfs/dbraw/zinc/85/97/15/343859715.db2.gz RTJKMMWDRUVMPW-UHFFFAOYSA-N 1 0 220.320 1.082 10 0 BDAERO OCc1cc([C@@H]2CCC[NH2+]C2)nn1CC1CC1 ZINC000409443910 343863508 /nfs/dbraw/zinc/86/35/08/343863508.db2.gz WKRVSFANAADVOW-LLVKDONJSA-N 1 0 235.331 1.252 10 0 BDAERO CCn1nc(-c2cccnc2)cc1C(N)=[NH2+] ZINC000409443017 343865449 /nfs/dbraw/zinc/86/54/49/343865449.db2.gz FOKPYZRYGNOUGW-UHFFFAOYSA-N 1 0 215.260 1.249 10 0 BDAERO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000625470713 343874685 /nfs/dbraw/zinc/87/46/85/343874685.db2.gz IFUNLJAZODOFTI-RXGFPQBGSA-N 1 0 209.333 1.735 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@@H](O)C1CCCC1 ZINC000234321380 343940899 /nfs/dbraw/zinc/94/08/99/343940899.db2.gz LQPDGXLRCOJFJD-MNOVXSKESA-N 1 0 215.362 1.585 10 0 BDAERO CC[C@@H](O)C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000309283097 347016807 /nfs/dbraw/zinc/01/68/07/347016807.db2.gz UQOJODBCVRJHAG-FRRDWIJNSA-N 1 0 226.364 1.316 10 0 BDAERO 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C[C@@H]1C[NH2+][C@H](C2CCCC2)C[S@@]1=O ZINC000158670602 344713139 /nfs/dbraw/zinc/71/31/39/344713139.db2.gz MTXDIPJIQSEORP-DFAYQTQMSA-N 1 0 201.335 1.286 10 0 BDAERO CC(C)SCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000309459833 347067644 /nfs/dbraw/zinc/06/76/44/347067644.db2.gz OMESXLZRVLQJIT-UWVGGRQHSA-N 1 0 230.377 1.372 10 0 BDAERO C[C@@H]1C[S@](=O)C[C@H](C2CCCC2)[NH2+]1 ZINC000158676008 344715925 /nfs/dbraw/zinc/71/59/25/344715925.db2.gz JWKMPRYANFEJKY-ZDSQKVDBSA-N 1 0 201.335 1.286 10 0 BDAERO c1nc2c([nH]1)C(C1CC1)(C1CC1)[NH2+]CC2 ZINC000400425009 537857423 /nfs/dbraw/zinc/85/74/23/537857423.db2.gz DTLHETZZYGGBAB-UHFFFAOYSA-N 1 0 203.289 1.571 10 0 BDAERO CS[C@H]1CCCC[C@@H]1[NH+]1CCNCC1 ZINC000235051338 344753920 /nfs/dbraw/zinc/75/39/20/344753920.db2.gz WIXIRZCPYYNCAS-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1nc(C2CC2)ns1 ZINC000083671009 133529211 /nfs/dbraw/zinc/52/92/11/133529211.db2.gz QSSFPSFLDMXRDP-MRVPVSSYSA-N 1 0 226.349 1.811 10 0 BDAERO CC[C@@H]1C[C@]2(CCO1)[NH2+]CCc1nc[nH]c12 ZINC000400593187 537861061 /nfs/dbraw/zinc/86/10/61/537861061.db2.gz YWHAYIQXTGYMGQ-SKDRFNHKSA-N 1 0 221.304 1.340 10 0 BDAERO CS[C@@H]1CCC[C@@H](NC2=[NH+]CCN2)C1 ZINC000235160378 344825012 /nfs/dbraw/zinc/82/50/12/344825012.db2.gz JEWBQAUMUXCNRZ-RKDXNWHRSA-N 1 0 213.350 1.209 10 0 BDAERO C[C@@](O)(C[NH3+])c1cccc(Br)c1F ZINC000235380654 344899129 /nfs/dbraw/zinc/89/91/29/344899129.db2.gz YWVQGVPBADWTCH-SECBINFHSA-N 1 0 248.095 1.754 10 0 BDAERO C[C@@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]2)CS1 ZINC000235410107 344904688 /nfs/dbraw/zinc/90/46/88/344904688.db2.gz GNZSMTUOYDKYAH-VWYCJHECSA-N 1 0 214.378 1.564 10 0 BDAERO C[C@@]1(O)CC[N@H+](C[C@@H]2CCCCC2=O)C1 ZINC000235459415 344917590 /nfs/dbraw/zinc/91/75/90/344917590.db2.gz HVDFTFQVBGLVBU-CMPLNLGQSA-N 1 0 211.305 1.202 10 0 BDAERO C[C@H](O)CNc1c(N)c[nH+]cc1Br ZINC000235554819 344940134 /nfs/dbraw/zinc/94/01/34/344940134.db2.gz WEPUMUPLRTVZNT-YFKPBYRVSA-N 1 0 246.108 1.219 10 0 BDAERO CC[C@H]1CCN(Cc2nnsc2N)C1 ZINC000166621774 344947277 /nfs/dbraw/zinc/94/72/77/344947277.db2.gz IGGSRQDVGNZQHD-ZETCQYMHSA-N 1 0 212.322 1.352 10 0 BDAERO Cc1ccc(F)c([C@@H]([NH3+])CCO)c1F ZINC000044233447 344989009 /nfs/dbraw/zinc/98/90/09/344989009.db2.gz UTCXAJNUSREWOW-QMMMGPOBSA-N 1 0 201.216 1.655 10 0 BDAERO C[C@@H]1SCC[C@H]1[N@H+]1C[C@@H](C)N[C@@H](C)C1 ZINC000235673048 345012054 /nfs/dbraw/zinc/01/20/54/345012054.db2.gz JXCYMKYVAPFGDD-ZRUFSTJUSA-N 1 0 214.378 1.563 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000145898844 344990747 /nfs/dbraw/zinc/99/07/47/344990747.db2.gz GAUAJZGRSIDKSX-NXEZZACHSA-N 1 0 244.294 1.553 10 0 BDAERO C[C@H](c1ccc[nH]1)N(C)C[C@H]1CC[NH2+]C1 ZINC000247964675 344992893 /nfs/dbraw/zinc/99/28/93/344992893.db2.gz GVLVCDMZIGEUFQ-MNOVXSKESA-N 1 0 207.321 1.617 10 0 BDAERO C[C@@H]([NH3+])c1cc(F)ccc1S(C)(=O)=O ZINC000238423418 345046685 /nfs/dbraw/zinc/04/66/85/345046685.db2.gz LLFSBHVEKCJDSZ-ZCFIWIBFSA-N 1 0 217.265 1.249 10 0 BDAERO COC[C@H]([NH3+])c1cc(F)cc(F)c1F ZINC000238359770 345028475 /nfs/dbraw/zinc/02/84/75/345028475.db2.gz POLVAQYDPBLUSS-QMMMGPOBSA-N 1 0 205.179 1.750 10 0 BDAERO [NH3+][C@H](Cc1ccc(O)cc1)c1ccc[nH]1 ZINC000011848757 345031459 /nfs/dbraw/zinc/03/14/59/345031459.db2.gz WDZPHOWPEQHNHE-LLVKDONJSA-N 1 0 202.257 1.963 10 0 BDAERO Nc1[nH+]ccn1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720867209 537888023 /nfs/dbraw/zinc/88/80/23/537888023.db2.gz DYQWMXSFRMGGPA-LPEHRKFASA-N 1 0 207.277 1.423 10 0 BDAERO COCCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155582570 345089629 /nfs/dbraw/zinc/08/96/29/345089629.db2.gz TWGDMAIXSQQCAE-NEPJUHHUSA-N 1 0 242.363 1.258 10 0 BDAERO COc1cc(C(F)(F)F)ccc1[C@H](N)C[NH3+] ZINC000044473196 345090903 /nfs/dbraw/zinc/09/09/03/345090903.db2.gz DXIUYYWLUCNCBI-MRVPVSSYSA-N 1 0 234.221 1.673 10 0 BDAERO C(C[C@H]1CCCO1)NC1=[NH+]CCCS1 ZINC000044510466 345103502 /nfs/dbraw/zinc/10/35/02/345103502.db2.gz GFLUBOXTVLGKOI-SECBINFHSA-N 1 0 214.334 1.638 10 0 BDAERO [NH3+]Cc1cc(OC(F)(F)F)cc(F)n1 ZINC000238675136 345106802 /nfs/dbraw/zinc/10/68/02/345106802.db2.gz JMJJIKKTBAYXLY-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO COC1(CC[NH2+]CC2(O)CCOCC2)CCC1 ZINC000310458538 259383025 /nfs/dbraw/zinc/38/30/25/259383025.db2.gz DPCMFWRLHXIATL-UHFFFAOYSA-N 1 0 243.347 1.077 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]2)o1 ZINC000035222716 178837242 /nfs/dbraw/zinc/83/72/42/178837242.db2.gz DVKDNDWMUNJIIC-ZJUUUORDSA-N 1 0 222.288 1.517 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](C)CN(CC(F)F)C1 ZINC000148039483 345193286 /nfs/dbraw/zinc/19/32/86/345193286.db2.gz MLCJZWDUMPWVLO-IUCAKERBSA-N 1 0 206.280 1.429 10 0 BDAERO C[C@@H]1CCN(CC(F)F)CC[C@H](C)[NH2+]1 ZINC000148039922 345193409 /nfs/dbraw/zinc/19/34/09/345193409.db2.gz VRLXBAMPKJKUDR-DTORHVGOSA-N 1 0 206.280 1.714 10 0 BDAERO C[C@H]1CN(Cc2c(Cl)cnn2C)C[C@H]1C[NH3+] ZINC000634998223 345198020 /nfs/dbraw/zinc/19/80/20/345198020.db2.gz CIKBCJCBMIWCPY-DTWKUNHWSA-N 1 0 242.754 1.100 10 0 BDAERO c1cc2c(cccc2CN[C@H]2CC[NH2+]C2)[nH]1 ZINC000635010645 345212637 /nfs/dbraw/zinc/21/26/37/345212637.db2.gz ASOOVEYLLAYJNL-NSHDSACASA-N 1 0 215.300 1.619 10 0 BDAERO c1nnc(S[C@H]2CCCC[NH2+]C2)s1 ZINC000132128538 345318715 /nfs/dbraw/zinc/31/87/15/345318715.db2.gz SJIDJUGFXRXXGF-ZETCQYMHSA-N 1 0 215.347 1.772 10 0 BDAERO [NH3+]C[C@H]1C[C@H]1c1ccc(Br)cn1 ZINC000130093219 345268431 /nfs/dbraw/zinc/26/84/31/345268431.db2.gz HDPCXOWVRSQUIP-HTRCEHHLSA-N 1 0 227.105 1.906 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000300228726 345285089 /nfs/dbraw/zinc/28/50/89/345285089.db2.gz BIZXUEXGZNUUNK-YNEHKIRRSA-N 1 0 229.364 1.894 10 0 BDAERO Cc1cccc(NCCC2(C)OCCO2)[nH+]1 ZINC000158501668 345341198 /nfs/dbraw/zinc/34/11/98/345341198.db2.gz ULISLQFIPXPRJQ-UHFFFAOYSA-N 1 0 222.288 1.955 10 0 BDAERO C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000158634070 345358516 /nfs/dbraw/zinc/35/85/16/345358516.db2.gz AGWJKMSNTBBOSS-UPJWGTAASA-N 1 0 237.347 1.819 10 0 BDAERO CSC[C@@H](C)N1CC[NH2+]C(C)(C)C1 ZINC000128162285 345369195 /nfs/dbraw/zinc/36/91/95/345369195.db2.gz MVDNUXBHVAYBQG-SECBINFHSA-N 1 0 202.367 1.422 10 0 BDAERO COCc1cc(C2=C[C@@H]([NH3+])CNC2)cs1 ZINC000675077954 537895790 /nfs/dbraw/zinc/89/57/90/537895790.db2.gz KTDNGQPWDKETHX-SNVBAGLBSA-N 1 0 224.329 1.208 10 0 BDAERO C(NC1=[NH+]CCS1)[C@@H]1CCSC1 ZINC000228589531 345370043 /nfs/dbraw/zinc/37/00/43/345370043.db2.gz ZSXCEKDWMRRFPN-ZETCQYMHSA-N 1 0 202.348 1.432 10 0 BDAERO C[C@H](CO)[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000159146918 345412988 /nfs/dbraw/zinc/41/29/88/345412988.db2.gz ADESSKDANNKZCA-PWSUYJOCSA-N 1 0 221.300 1.303 10 0 BDAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCn2ncnc21 ZINC000335602588 345416810 /nfs/dbraw/zinc/41/68/10/345416810.db2.gz MXIFBJPMCQFNSA-ZJUUUORDSA-N 1 0 220.320 1.891 10 0 BDAERO Cc1nnc(N[C@@H](C[NH3+])CC(C)C)nc1C ZINC000158977589 345394177 /nfs/dbraw/zinc/39/41/77/345394177.db2.gz QQTNPJUCXICGMZ-SNVBAGLBSA-N 1 0 223.324 1.274 10 0 BDAERO CCCOCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158986670 345396561 /nfs/dbraw/zinc/39/65/61/345396561.db2.gz FXAHGFYFNZFXLO-RYUDHWBXSA-N 1 0 242.363 1.258 10 0 BDAERO CC(C)(C)c1ncc(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000378777403 345559344 /nfs/dbraw/zinc/55/93/44/345559344.db2.gz IAFHPNBAGRQANY-WCBMZHEXSA-N 1 0 240.372 1.911 10 0 BDAERO CO[C@H](C)[C@@H](C)N1CC[NH2+]CC1(C)C ZINC000229407062 345571452 /nfs/dbraw/zinc/57/14/52/345571452.db2.gz SGPTUZMOWPHBON-NXEZZACHSA-N 1 0 200.326 1.094 10 0 BDAERO Cc1ccc([C@@H]2OC[C@@H]([NH3+])[C@H](C)O2)cc1 ZINC000028877183 178878449 /nfs/dbraw/zinc/87/84/49/178878449.db2.gz PZTLPZINAMKJJU-MVWJERBFSA-N 1 0 207.273 1.756 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(O)c2c1CCCC2 ZINC000085510747 290758936 /nfs/dbraw/zinc/75/89/36/290758936.db2.gz NFYNTBFSYCCIDQ-ZDUSSCGKSA-N 1 0 221.300 1.524 10 0 biogenic,in-vitro BDAERO Cc1ccc([C@H]([NH3+])Cc2cnn(C)c2)cc1 ZINC000050542409 178907841 /nfs/dbraw/zinc/90/78/41/178907841.db2.gz VPUOHIJEVVECBU-CYBMUJFWSA-N 1 0 215.300 1.971 10 0 BDAERO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H]1CO ZINC000253605824 345691971 /nfs/dbraw/zinc/69/19/71/345691971.db2.gz CRKTXBIAWCCNQD-MNOVXSKESA-N 1 0 206.289 1.599 10 0 BDAERO Fc1ccccc1C1(N[C@H]2CC[NH2+]C2)CC1 ZINC000215640597 345742454 /nfs/dbraw/zinc/74/24/54/345742454.db2.gz FJXWXDFKJLEZMP-JTQLQIEISA-N 1 0 220.291 1.766 10 0 BDAERO [NH2+]=C1COC[C@](c2ccccc2F)(C(F)F)N1 ZINC000113658172 345754051 /nfs/dbraw/zinc/75/40/51/345754051.db2.gz VSQSQWFSGTUUPU-NSHDSACASA-N 1 0 244.216 1.674 10 0 BDAERO C[C@@H](Oc1cc(F)cc(F)c1)C(N)=[NH2+] ZINC000054933207 345720534 /nfs/dbraw/zinc/72/05/34/345720534.db2.gz YEIXIJHGZZVFPX-RXMQYKEDSA-N 1 0 200.188 1.668 10 0 BDAERO COc1ccc(C[C@]2(C)COCC[NH2+]2)cc1 ZINC000221541539 345758701 /nfs/dbraw/zinc/75/87/01/345758701.db2.gz PVDLAJVEPSELDW-CYBMUJFWSA-N 1 0 221.300 1.616 10 0 BDAERO COc1ccc([C@]2(O)CC[N@H+](C)[C@H]2C)cc1 ZINC000034080580 345816180 /nfs/dbraw/zinc/81/61/80/345816180.db2.gz WXGSJVZLGJHMCC-GWCFXTLKSA-N 1 0 221.300 1.607 10 0 BDAERO COc1ccc2c(c1OC)CC[C@H]2C1=[NH+]CCN1 ZINC000034143059 345817692 /nfs/dbraw/zinc/81/76/92/345817692.db2.gz FGQOXXWXTCKPOQ-LLVKDONJSA-N 1 0 246.310 1.735 10 0 BDAERO COc1ccc2c(c1)C1=CCC[NH2+][C@H]1CO2 ZINC000034237201 345819401 /nfs/dbraw/zinc/81/94/01/345819401.db2.gz VLLIRPQFOOTYGY-LBPRGKRZSA-N 1 0 217.268 1.833 10 0 BDAERO c1ccc(Cc2nc([C@@H]3CC[NH2+]C3)no2)cc1 ZINC000257950995 345778955 /nfs/dbraw/zinc/77/89/55/345778955.db2.gz IPBCNQWWBXQCSC-LLVKDONJSA-N 1 0 229.283 1.737 10 0 BDAERO C[C@H]1CCn2cc(C3CC[NH2+]CC3)nc2C1 ZINC000258761400 345785825 /nfs/dbraw/zinc/78/58/25/345785825.db2.gz ZYXBBGMFNCTMCW-JTQLQIEISA-N 1 0 219.332 1.932 10 0 BDAERO CCCNc1cc(N2CCC([NH3+])CC2)ncn1 ZINC000258908968 345786749 /nfs/dbraw/zinc/78/67/49/345786749.db2.gz HGSATIFRSCRIGP-UHFFFAOYSA-N 1 0 235.335 1.226 10 0 BDAERO COC(=O)c1c(C[NH3+])ccc(OC)c1F ZINC000166775686 345786832 /nfs/dbraw/zinc/78/68/32/345786832.db2.gz NDXUIFYSZIKKRJ-UHFFFAOYSA-N 1 0 213.208 1.080 10 0 BDAERO COC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000166773388 345786919 /nfs/dbraw/zinc/78/69/19/345786919.db2.gz AAUAGDAATQAZCK-ZNSHCXBVSA-N 1 0 213.321 1.914 10 0 BDAERO CC(C)[C@H](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262629827 345792728 /nfs/dbraw/zinc/79/27/28/345792728.db2.gz NEPWSPVRCVCOQZ-GRYCIOLGSA-N 1 0 226.364 1.912 10 0 BDAERO Cc1ccc([C@H]([C@H](C)[NH3+])n2cncn2)s1 ZINC000043243420 178917528 /nfs/dbraw/zinc/91/75/28/178917528.db2.gz DNWLUWVFASQHJY-WPRPVWTQSA-N 1 0 222.317 1.585 10 0 BDAERO [NH3+]C1(C(=O)Cc2c(F)cccc2F)CC1 ZINC000166787523 345801024 /nfs/dbraw/zinc/80/10/24/345801024.db2.gz UGJHDSQJGRCGIP-UHFFFAOYSA-N 1 0 211.211 1.568 10 0 BDAERO O=S1(=O)c2ccccc2C=CC12CC[NH2+]CC2 ZINC000137398436 345845501 /nfs/dbraw/zinc/84/55/01/345845501.db2.gz HDSVXCPVAMDMLZ-UHFFFAOYSA-N 1 0 249.335 1.609 10 0 BDAERO COc1ccc(N(N)C2CC[NH+](C)CC2)cc1 ZINC000035080031 345848777 /nfs/dbraw/zinc/84/87/77/345848777.db2.gz DBXZQEKHPBXEEK-UHFFFAOYSA-N 1 0 235.331 1.470 10 0 BDAERO CC[NH+](CC)C[C@@H]1COc2cc(N)ccc2O1 ZINC000221294034 345863184 /nfs/dbraw/zinc/86/31/84/345863184.db2.gz SBBHSLUBPQWHHI-LLVKDONJSA-N 1 0 236.315 1.750 10 0 BDAERO c1ccc(N2CC[NH2+]CC2)c(C2CC2)c1 ZINC000034480993 345834960 /nfs/dbraw/zinc/83/49/60/345834960.db2.gz HDQVZCLSESHBHG-UHFFFAOYSA-N 1 0 202.301 1.974 10 0 BDAERO Cc1ccc([S@](=O)C2CC[NH2+]CC2)nc1 ZINC000095069051 178934680 /nfs/dbraw/zinc/93/46/80/178934680.db2.gz MHSPNHZOYUVYPW-HNNXBMFYSA-N 1 0 224.329 1.250 10 0 BDAERO O=C(C[C@H]1CCCC[NH2+]1)c1ccncn1 ZINC000307061742 537920570 /nfs/dbraw/zinc/92/05/70/537920570.db2.gz FSNPQKQPIOGAHF-SECBINFHSA-N 1 0 205.261 1.192 10 0 BDAERO c1cc2c(ncnc2NC2C[NH2+]C2)s1 ZINC000085256720 345929466 /nfs/dbraw/zinc/92/94/66/345929466.db2.gz ZEEHBKQULLLLAA-UHFFFAOYSA-N 1 0 206.274 1.075 10 0 BDAERO Cn1c([C@@H]2CCC[NH2+]C2)nc2cccnc21 ZINC000082535448 345909267 /nfs/dbraw/zinc/90/92/67/345909267.db2.gz DDWMGKYIBQHALJ-SECBINFHSA-N 1 0 216.288 1.435 10 0 BDAERO Cc1nc(C)c(C[NH2+]C[C@H]2CCC[C@H]2O)o1 ZINC000628223480 345964158 /nfs/dbraw/zinc/96/41/58/345964158.db2.gz GEZFHPJUOUMTCS-GHMZBOCLSA-N 1 0 224.304 1.542 10 0 BDAERO COC[C@@H](C)Nc1cc(N)[nH+]c(C2CC2)n1 ZINC000087908989 345940135 /nfs/dbraw/zinc/94/01/35/345940135.db2.gz ZOXQFAZEDRUUBY-SSDOTTSWSA-N 1 0 222.292 1.383 10 0 BDAERO CCCN(CCC)c1cc(N)[nH+]c(C)n1 ZINC000087806262 345941791 /nfs/dbraw/zinc/94/17/91/345941791.db2.gz DGAMHRVOSQQXLI-UHFFFAOYSA-N 1 0 208.309 1.994 10 0 BDAERO CNc1cc(N[C@H](C)COC)nc(C)[nH+]1 ZINC000087807800 345941860 /nfs/dbraw/zinc/94/18/60/345941860.db2.gz ZAZWAXFJYVCIME-SSDOTTSWSA-N 1 0 210.281 1.274 10 0 BDAERO CNc1cc(NCC(F)(F)F)nc(C)[nH+]1 ZINC000087808100 345942216 /nfs/dbraw/zinc/94/22/16/345942216.db2.gz JBKUABIQPNNHNH-UHFFFAOYSA-N 1 0 220.198 1.801 10 0 BDAERO Cc1occc1S[C@@H]1COCC[C@@H]1[NH3+] ZINC000235842764 345947255 /nfs/dbraw/zinc/94/72/55/345947255.db2.gz YEUJJEDNIQDWID-WCBMZHEXSA-N 1 0 213.302 1.796 10 0 BDAERO Cc1ccc2c(c1)[C@H]([NH3+])CCCS2(=O)=O ZINC000036928888 178954660 /nfs/dbraw/zinc/95/46/60/178954660.db2.gz NBYJYZCXCZPLEA-SNVBAGLBSA-N 1 0 225.313 1.562 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@H](CCl)C2)C1 ZINC000095088878 346024167 /nfs/dbraw/zinc/02/41/67/346024167.db2.gz BCMKBJRODAOIDH-NHCYSSNCSA-N 1 0 244.766 1.591 10 0 BDAERO Cc1c(N)cnn1CC[NH+]1CCCCC1 ZINC000723468280 537934943 /nfs/dbraw/zinc/93/49/43/537934943.db2.gz GIQPNVJPEXPYGZ-UHFFFAOYSA-N 1 0 208.309 1.260 10 0 BDAERO C[C@H]([NH3+])c1ccc(SC2COC2)cn1 ZINC000149473478 346113989 /nfs/dbraw/zinc/11/39/89/346113989.db2.gz KVLXYKRWZCBBLN-ZETCQYMHSA-N 1 0 210.302 1.592 10 0 BDAERO c1cc2c(ncc3ncc(C4CC[NH2+]CC4)n32)[nH]1 ZINC000149513563 346118434 /nfs/dbraw/zinc/11/84/34/346118434.db2.gz KPCIDFWOCLZQDL-UHFFFAOYSA-N 1 0 241.298 1.678 10 0 BDAERO CC(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669371895 537949108 /nfs/dbraw/zinc/94/91/08/537949108.db2.gz DRWYSITUXPWBGS-RNFRBKRXSA-N 1 0 238.253 1.299 10 0 BDAERO c1nc(CN2CC[NH2+]CC2)oc1C1CCC1 ZINC000669372725 537950364 /nfs/dbraw/zinc/95/03/64/537950364.db2.gz XYEBKPLNGZRENG-UHFFFAOYSA-N 1 0 221.304 1.347 10 0 BDAERO CC(C)c1nccnc1NCC1([NH+](C)C)CC1 ZINC000419003770 192097751 /nfs/dbraw/zinc/09/77/51/192097751.db2.gz DFUCSFZPBICFBR-UHFFFAOYSA-N 1 0 234.347 1.528 10 0 BDAERO Cc1cccc(-n2cncc2CC[NH3+])c1C ZINC000076645068 179001424 /nfs/dbraw/zinc/00/14/24/179001424.db2.gz AKQAUCFYPOSKRD-UHFFFAOYSA-N 1 0 215.300 1.990 10 0 BDAERO C[C@@H](CC(N)=S)[N@@H+]1CCCO[C@H](C)C1 ZINC000061918540 346179963 /nfs/dbraw/zinc/17/99/63/346179963.db2.gz RSLKXKMPYLYTMX-DTWKUNHWSA-N 1 0 216.350 1.162 10 0 BDAERO Cn1nnc(Br)c1[C@H]([NH3+])C1CCC1 ZINC000236129457 346193877 /nfs/dbraw/zinc/19/38/77/346193877.db2.gz GPARLMBEUNRBMF-ZCFIWIBFSA-N 1 0 245.124 1.378 10 0 BDAERO Cn1nnc(Br)c1[C@@H]1CC[C@H]([NH3+])C1 ZINC000236124908 346194086 /nfs/dbraw/zinc/19/40/86/346194086.db2.gz NLTBQFIFTATSSD-RITPCOANSA-N 1 0 245.124 1.172 10 0 BDAERO Cn1nnc(Br)c1[C@H]1CC[C@@H]1C[NH3+] ZINC000236143076 346197141 /nfs/dbraw/zinc/19/71/41/346197141.db2.gz AOANQVWLXWDLPS-RITPCOANSA-N 1 0 245.124 1.030 10 0 BDAERO O=C1O[C@H](C[NH2+]C2CCC2)CC1(F)F ZINC000236144278 346197305 /nfs/dbraw/zinc/19/73/05/346197305.db2.gz GMESBQGUIPKZCW-ZETCQYMHSA-N 1 0 205.204 1.079 10 0 BDAERO Cc1cccc(=O)n1C[C@H]([NH3+])C(C)(C)C ZINC000037670144 179003612 /nfs/dbraw/zinc/00/36/12/179003612.db2.gz HXGBJBSMZUSAAY-JTQLQIEISA-N 1 0 208.305 1.530 10 0 BDAERO Cc1cccc(C(=O)CN2CC[C@H]([NH3+])C2)c1 ZINC000050242536 179003917 /nfs/dbraw/zinc/00/39/17/179003917.db2.gz MYFWWTZHDQPSAT-LBPRGKRZSA-N 1 0 218.300 1.211 10 0 BDAERO Nc1cc[nH+]c(CSc2ncc[nH]2)c1 ZINC000236355533 346228697 /nfs/dbraw/zinc/22/86/97/346228697.db2.gz OEAVGKRTCRYEGA-UHFFFAOYSA-N 1 0 206.274 1.679 10 0 BDAERO C[C@H](C[NH3+])[C@H](O)c1ccncc1Cl ZINC000669377506 537964798 /nfs/dbraw/zinc/96/47/98/537964798.db2.gz RRYRMKVTPGZNHG-MUWHJKNJSA-N 1 0 200.669 1.363 10 0 BDAERO CCCCNC(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051797 537962563 /nfs/dbraw/zinc/96/25/63/537962563.db2.gz UGUZULGXHBKPIO-YPMHNXCESA-N 1 0 239.363 1.618 10 0 BDAERO COC(=O)Cc1c(C)cc(C[NH3+])cc1C ZINC000669378381 537966737 /nfs/dbraw/zinc/96/67/37/537966737.db2.gz CGJBSOCEZUWYFF-UHFFFAOYSA-N 1 0 207.273 1.478 10 0 BDAERO C[C@H](C[NH3+])[C@@H](O)c1ccncc1Cl ZINC000669377504 537965006 /nfs/dbraw/zinc/96/50/06/537965006.db2.gz RRYRMKVTPGZNHG-HZGVNTEJSA-N 1 0 200.669 1.363 10 0 BDAERO Cc1cccc(C)c1O[C@@H](CCO)C1=[NH+]CCN1 ZINC000027710651 179048235 /nfs/dbraw/zinc/04/82/35/179048235.db2.gz WQKARHFHTDHFET-LBPRGKRZSA-N 1 0 248.326 1.435 10 0 BDAERO Cc1cccc(C2(O)CC[NH+](C)CC2)c1 ZINC000037716950 179050601 /nfs/dbraw/zinc/05/06/01/179050601.db2.gz JYLSWUNWIJLEIO-UHFFFAOYSA-N 1 0 205.301 1.908 10 0 BDAERO CCOCCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161611981 346343202 /nfs/dbraw/zinc/34/32/02/346343202.db2.gz ZESYWQQDJIUURU-NSHDSACASA-N 1 0 201.310 1.117 10 0 BDAERO CC(=O)c1ccnc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000124303045 537971842 /nfs/dbraw/zinc/97/18/42/537971842.db2.gz SECOXHKTKKPLLY-MFKMUULPSA-N 1 0 247.342 1.671 10 0 BDAERO CCC[C@@H](C)C(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669378635 537971455 /nfs/dbraw/zinc/97/14/55/537971455.db2.gz KOFXOHUQXMMYTO-LDYMZIIASA-N 1 0 236.306 1.911 10 0 BDAERO C[C@H](C(=O)N[C@H]1C[NH2+]CC1(C)C)C(C)(C)C ZINC000669379032 537973410 /nfs/dbraw/zinc/97/34/10/537973410.db2.gz UHOKWQXUNWODKJ-ZJUUUORDSA-N 1 0 226.364 1.783 10 0 BDAERO CC(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000669379176 537975181 /nfs/dbraw/zinc/97/51/81/537975181.db2.gz VUGJNGNABXZWCC-GHMZBOCLSA-N 1 0 212.337 1.476 10 0 BDAERO Cc1cccc(CN2CC[NH2+]C[C@H](C)C2)n1 ZINC000051577670 179079500 /nfs/dbraw/zinc/07/95/00/179079500.db2.gz FRAGBXBMNFXCJL-NSHDSACASA-N 1 0 219.332 1.431 10 0 BDAERO Cc1nc(C[NH3+])sc1-c1cncn1C ZINC000669379499 537979400 /nfs/dbraw/zinc/97/94/00/537979400.db2.gz DFTSNZGEESDJEL-UHFFFAOYSA-N 1 0 208.290 1.311 10 0 BDAERO Cc1cc(C)cc(C2(C[NH3+])OCCO2)c1 ZINC000148764875 346432666 /nfs/dbraw/zinc/43/26/66/346432666.db2.gz QMMXHQZLXIBEHB-UHFFFAOYSA-N 1 0 207.273 1.462 10 0 BDAERO Cc1cccc(CNC2=[NH+][C@@H](C)CS2)n1 ZINC000051577205 179088630 /nfs/dbraw/zinc/08/86/30/179088630.db2.gz DTNNCFQFFCUGJF-VIFPVBQESA-N 1 0 221.329 1.971 10 0 BDAERO C[C@@H]1CN[C@@]2(CC[NH2+]C[C@@H]2C)SC1 ZINC000229565600 346437628 /nfs/dbraw/zinc/43/76/28/346437628.db2.gz COQXISBCUBLWCC-UTLUCORTSA-N 1 0 200.351 1.285 10 0 BDAERO C[C@H]([NH3+])[C@@H](C)Cc1cn2ccsc2n1 ZINC000148810087 346454723 /nfs/dbraw/zinc/45/47/23/346454723.db2.gz PCZWFLLNLGEGOQ-YUMQZZPRSA-N 1 0 209.318 1.922 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170882364 346470238 /nfs/dbraw/zinc/47/02/38/346470238.db2.gz QXEDMQZIVSZUTK-QWRGUYRKSA-N 1 0 212.337 1.585 10 0 BDAERO [NH2+]=C1N[C@@H](c2cccc(Cl)c2F)CO1 ZINC000148972811 346506096 /nfs/dbraw/zinc/50/60/96/346506096.db2.gz SSJTYQRXOREPOE-SSDOTTSWSA-N 1 0 214.627 1.865 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnn(C)c1 ZINC000105863765 346561215 /nfs/dbraw/zinc/56/12/15/346561215.db2.gz NHFKVDBSILLFEK-ZDUSSCGKSA-N 1 0 236.363 1.336 10 0 BDAERO C[C@@H]([NH3+])[C@@H](N1CCCCO1)C(C)(C)C ZINC000164195147 346595656 /nfs/dbraw/zinc/59/56/56/346595656.db2.gz UNQGKCUSDHGBDH-NXEZZACHSA-N 1 0 200.326 1.776 10 0 BDAERO Cc1nc([C@@H]([NH3+])[C@@H]2CCCO2)sc1C ZINC000149211261 346599100 /nfs/dbraw/zinc/59/91/00/346599100.db2.gz FCJLALHVEWYQKL-IUCAKERBSA-N 1 0 212.318 1.939 10 0 BDAERO COC1CCC2(CC1)[NH2+]C[C@H](C)S2 ZINC000164326719 346600590 /nfs/dbraw/zinc/60/05/90/346600590.db2.gz PJDODPRAEGRZBU-IDKOKCKLSA-N 1 0 201.335 1.997 10 0 BDAERO CSCCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000381857215 346655332 /nfs/dbraw/zinc/65/53/32/346655332.db2.gz VDRRNKOKRPNZAI-UWVGGRQHSA-N 1 0 230.377 1.100 10 0 BDAERO Cc1cccc(NC(=O)[C@@H](C)[NH3+])c1Cl ZINC000160737990 179137148 /nfs/dbraw/zinc/13/71/48/179137148.db2.gz GIFRTRPAMHKIMF-SSDOTTSWSA-N 1 0 212.680 1.934 10 0 BDAERO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000149634040 179129343 /nfs/dbraw/zinc/12/93/43/179129343.db2.gz ZAFFTUMXWHLGFD-DGCLKSJQSA-N 1 0 248.326 1.701 10 0 BDAERO CN1CC[N@H+](C)[C@H](CC(=O)C(C)(C)C)C1 ZINC000149315140 346715803 /nfs/dbraw/zinc/71/58/03/346715803.db2.gz LRENQMXVYHGNJB-SNVBAGLBSA-N 1 0 212.337 1.238 10 0 BDAERO CC(C)[C@H](C[NH3+])Nc1ncc(Cl)cn1 ZINC000168065196 346725563 /nfs/dbraw/zinc/72/55/63/346725563.db2.gz ONJMQHVYCWJBFR-QMMMGPOBSA-N 1 0 214.700 1.525 10 0 BDAERO Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](C)O)C2)n1 ZINC000192984741 179148026 /nfs/dbraw/zinc/14/80/26/179148026.db2.gz SFNOSHGVQKARAY-CHWSQXEVSA-N 1 0 249.358 1.505 10 0 BDAERO CCC[C@@H](C)[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000590000253 346760970 /nfs/dbraw/zinc/76/09/70/346760970.db2.gz CEVXLXWGGYPBNS-NEPJUHHUSA-N 1 0 214.353 1.437 10 0 BDAERO COC(C)(C)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242694 537986290 /nfs/dbraw/zinc/98/62/90/537986290.db2.gz KSCUNQOLSXKBRA-JTQLQIEISA-N 1 0 209.293 1.032 10 0 BDAERO Nc1ccc(C[NH3+])cc1-c1cccnn1 ZINC000669380093 537985932 /nfs/dbraw/zinc/98/59/32/537985932.db2.gz IOKOAOKZRYRRIK-UHFFFAOYSA-N 1 0 200.245 1.185 10 0 BDAERO C[C@@H]1COCCN1C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000251883740 133647789 /nfs/dbraw/zinc/64/77/89/133647789.db2.gz UZVQITOWJVKXNC-GRYCIOLGSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1cccc(Nc2nc[nH+]c(NN)c2N)c1C ZINC000040755127 179161112 /nfs/dbraw/zinc/16/11/12/179161112.db2.gz QFTWVXQMBBJYRX-UHFFFAOYSA-N 1 0 244.302 1.705 10 0 BDAERO CCC[C@]1(CC)[NH2+]CCc2ncn(C)c21 ZINC000725242550 537986524 /nfs/dbraw/zinc/98/65/24/537986524.db2.gz FHKUFHZTOBENGO-LBPRGKRZSA-N 1 0 207.321 1.971 10 0 BDAERO CCC[C@@]1(CC)[NH2+]CCc2ncn(C)c21 ZINC000725242549 537986580 /nfs/dbraw/zinc/98/65/80/537986580.db2.gz FHKUFHZTOBENGO-GFCCVEGCSA-N 1 0 207.321 1.971 10 0 BDAERO Cc1cccc(OCCN2CC[NH2+]C[C@@H](C)C2)c1 ZINC000044418302 179166223 /nfs/dbraw/zinc/16/62/23/179166223.db2.gz DWHUXNHFTZWJRS-CQSZACIVSA-N 1 0 248.370 1.915 10 0 BDAERO Cc1cccc(OCC[NH2+]CCN(C)C)c1C ZINC000041271924 179167727 /nfs/dbraw/zinc/16/77/27/179167727.db2.gz JCTVEKXJYPXEHL-UHFFFAOYSA-N 1 0 236.359 1.833 10 0 BDAERO Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000378679379 346804853 /nfs/dbraw/zinc/80/48/53/346804853.db2.gz TZZZHSQQBLJDEW-QWHCGFSZSA-N 1 0 205.301 1.774 10 0 BDAERO Cc1cccc(O[C@@H]2CC[NH2+]C[C@@H]2O)c1C ZINC000001842838 179174689 /nfs/dbraw/zinc/17/46/89/179174689.db2.gz ZHFIAFNZGWCLHU-WCQYABFASA-N 1 0 221.300 1.405 10 0 in-man BDAERO CCC[C@H](C(=O)OCC)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325448 347206669 /nfs/dbraw/zinc/20/66/69/347206669.db2.gz CLKPHZVEAHUHLY-GRYCIOLGSA-N 1 0 242.363 1.245 10 0 BDAERO Cc1nnc(N(C)CC[C@H]([NH3+])C(C)C)nc1C ZINC000165387449 133655348 /nfs/dbraw/zinc/65/53/48/133655348.db2.gz BMRUGBOGMIQANF-NSHDSACASA-N 1 0 237.351 1.298 10 0 BDAERO c1cc2c(s1)[C@]1(C[C@H]3COC[C@H]31)[NH2+]CC2 ZINC000725242881 537988344 /nfs/dbraw/zinc/98/83/44/537988344.db2.gz NNYUKOBJOHQGKH-HOSYDEDBSA-N 1 0 221.325 1.755 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H]1O)[C@H]1CCSC1 ZINC000250393078 362802834 /nfs/dbraw/zinc/80/28/34/362802834.db2.gz LDADNQFNSYXPII-GARJFASQSA-N 1 0 215.362 1.585 10 0 BDAERO C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCCC1=O ZINC000250435014 362805000 /nfs/dbraw/zinc/80/50/00/362805000.db2.gz RUXGGFSINMTAHH-QWRGUYRKSA-N 1 0 211.305 1.466 10 0 BDAERO Cc1cccc([C@H](C[NH3+])n2ccnc2)c1 ZINC000042967742 179200079 /nfs/dbraw/zinc/20/00/79/179200079.db2.gz QYJKLPBGQIITFP-LBPRGKRZSA-N 1 0 201.273 1.740 10 0 BDAERO Cc1cccc([C@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c1 ZINC000043299949 179200731 /nfs/dbraw/zinc/20/07/31/179200731.db2.gz MEJUTHXORXFFJQ-NEPJUHHUSA-N 1 0 239.340 1.430 10 0 BDAERO Cc1cccc([C@H]([NH2+]C[C@@H]2CCCO2)C(N)=O)c1 ZINC000037942896 179202139 /nfs/dbraw/zinc/20/21/39/179202139.db2.gz ORIMMYDZZTWYJS-STQMWFEESA-N 1 0 248.326 1.290 10 0 BDAERO CN(C)[C@@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000250711312 362817206 /nfs/dbraw/zinc/81/72/06/362817206.db2.gz RSRXEXSIGJJKDS-MNOVXSKESA-N 1 0 214.353 1.029 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000310890300 347319131 /nfs/dbraw/zinc/31/91/31/347319131.db2.gz UHMIZPAKTBUEEH-MGPQQGTHSA-N 1 0 247.338 1.408 10 0 BDAERO C[C@H]([NH3+])[C@H](C)N=c1[nH]c2ccccc2o1 ZINC000336521440 136749456 /nfs/dbraw/zinc/74/94/56/136749456.db2.gz WGSWRJGYNJCYPA-YUMQZZPRSA-N 1 0 205.261 1.397 10 0 BDAERO CO[C@]1(C(=O)OC(C)(C)C)CCC[NH2+]C1 ZINC000616568206 347444702 /nfs/dbraw/zinc/44/47/02/347444702.db2.gz GHWNCMGEIAZFDD-LLVKDONJSA-N 1 0 215.293 1.097 10 0 BDAERO CC(C)C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCC1 ZINC000616568604 347449229 /nfs/dbraw/zinc/44/92/29/347449229.db2.gz BWGWIXSWIFPNPS-OLZOCXBDSA-N 1 0 238.375 1.927 10 0 BDAERO C[NH2+]C[C@H]1CN(c2cc(F)ccc2C)C(=O)O1 ZINC000616569098 347575969 /nfs/dbraw/zinc/57/59/69/347575969.db2.gz QOINBALWDDKCGE-JTQLQIEISA-N 1 0 238.262 1.679 10 0 BDAERO Cc1ccccc1CC(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049395 179260335 /nfs/dbraw/zinc/26/03/35/179260335.db2.gz AFWXOUPAAMUUGW-KBPBESRZSA-N 1 0 246.354 1.924 10 0 BDAERO CC(C)[N@H+](C[C@H](C)O)C[C@@H]1CCCN1C ZINC000591918094 347708998 /nfs/dbraw/zinc/70/89/98/347708998.db2.gz ZQVSDLKLPNEWIP-RYUDHWBXSA-N 1 0 214.353 1.172 10 0 BDAERO Cc1ccccc1NC(=O)C[NH2+]C[C@@H]1CCOC1 ZINC000038094137 179298784 /nfs/dbraw/zinc/29/87/84/179298784.db2.gz PWCVSSGBNSDHOJ-LBPRGKRZSA-N 1 0 248.326 1.560 10 0 BDAERO CC(C)CNC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669381084 537993872 /nfs/dbraw/zinc/99/38/72/537993872.db2.gz XTPBFAUKFILRDF-JTQLQIEISA-N 1 0 237.294 1.314 10 0 BDAERO COC[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]1CO ZINC000308593840 347894508 /nfs/dbraw/zinc/89/45/08/347894508.db2.gz LMLJCZFFNGCQOX-GARJFASQSA-N 1 0 201.310 1.018 10 0 BDAERO CC(C)CC(=O)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616570079 347895754 /nfs/dbraw/zinc/89/57/54/347895754.db2.gz DZCVLKKHLKJPRU-WDEREUQCSA-N 1 0 210.321 1.385 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC000616570118 347902699 /nfs/dbraw/zinc/90/26/99/347902699.db2.gz FDFPEPJTYJGPBE-LLVKDONJSA-N 1 0 224.348 1.635 10 0 BDAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)C1CC1 ZINC000616570217 347913915 /nfs/dbraw/zinc/91/39/15/347913915.db2.gz MNLAQCRWDJZNGB-UONOGXRCSA-N 1 0 244.338 1.658 10 0 BDAERO N[C@H]1C[NH2+]CC[C@@H]1c1ccc2c(c1)CCN2 ZINC000669381417 537995019 /nfs/dbraw/zinc/99/50/19/537995019.db2.gz JEVUKQHMHZRDPJ-NEPJUHHUSA-N 1 0 217.316 1.059 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000262512314 179330051 /nfs/dbraw/zinc/33/00/51/179330051.db2.gz DOOFMPFMJPBQQZ-DRZSPHRISA-N 1 0 232.327 1.562 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCCC[NH3+] ZINC000237633099 179330879 /nfs/dbraw/zinc/33/08/79/179330879.db2.gz UJUYKBOERXGIKG-KBPBESRZSA-N 1 0 246.354 1.954 10 0 BDAERO C/C=C\C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616570617 348079209 /nfs/dbraw/zinc/07/92/09/348079209.db2.gz NTMBXHZODBKSDL-LCEPEUOPSA-N 1 0 244.338 1.824 10 0 BDAERO C/C=C(/C)C(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000616570677 348079647 /nfs/dbraw/zinc/07/96/47/348079647.db2.gz HLLAQNMCFUZMLS-KMKOMSMNSA-N 1 0 208.305 1.165 10 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0 BDAERO Cc1cccc(CC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000335555752 187393177 /nfs/dbraw/zinc/39/31/77/187393177.db2.gz SGGZOIXQVBQYKG-WCQYABFASA-N 1 0 232.327 1.486 10 0 BDAERO Cc1cccnc1NC(=O)[C@@H]([NH3+])C(C)C ZINC000040458847 179391711 /nfs/dbraw/zinc/39/17/11/179391711.db2.gz DXJLAHMXRMVCAL-VIFPVBQESA-N 1 0 207.277 1.312 10 0 BDAERO Cc1cccnc1NC(=O)[C@H]([NH3+])CC(C)C ZINC000077558641 179392824 /nfs/dbraw/zinc/39/28/24/179392824.db2.gz IBOYQHBYLWJPFO-SNVBAGLBSA-N 1 0 221.304 1.702 10 0 BDAERO CC[C@@H]1CCCC[N@@H+]1[C@H](C)C(N)=S ZINC000251747046 362905201 /nfs/dbraw/zinc/90/52/01/362905201.db2.gz LEELKWUGPUOJIO-RKDXNWHRSA-N 1 0 200.351 1.926 10 0 BDAERO CC1CCC(C[NH2+]C[C@H]2COCCN2C)CC1 ZINC000623711490 362927188 /nfs/dbraw/zinc/92/71/88/362927188.db2.gz GSLOYPZVVRMJKB-RUXDESIVSA-N 1 0 240.391 1.733 10 0 BDAERO O=C(N[C@@H]1CCC[C@H]2C[NH2+]CC[C@@H]21)C1CC1 ZINC000669382007 538003448 /nfs/dbraw/zinc/00/34/48/538003448.db2.gz DRPRNMPNQCTYHB-SDDRHHMPSA-N 1 0 222.332 1.291 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]2CCCCC[C@H]2[S@@]1=O ZINC000251794722 362922521 /nfs/dbraw/zinc/92/25/21/362922521.db2.gz NPDIHRQEYUJGBK-VWMGYNLJSA-N 1 0 201.335 1.428 10 0 BDAERO O=C(C[NH2+]C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000037390199 348404067 /nfs/dbraw/zinc/40/40/67/348404067.db2.gz UIDRQBHCOHTEOC-GFCCVEGCSA-N 1 0 246.310 1.378 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]CC1=CCCOC1 ZINC000124766564 323188697 /nfs/dbraw/zinc/18/86/97/323188697.db2.gz NRRMTBFNBHFLHM-STQMWFEESA-N 1 0 225.332 1.474 10 0 BDAERO Cc1ccnc(OCC[C@H]2CCC[NH2+]C2)n1 ZINC000061859929 179462966 /nfs/dbraw/zinc/46/29/66/179462966.db2.gz PAMRXMAORFHVJS-LLVKDONJSA-N 1 0 221.304 1.554 10 0 BDAERO Cc1ccnc([S@](=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000095069224 179469467 /nfs/dbraw/zinc/46/94/67/179469467.db2.gz QIVZLAQAZARDBG-BZNIZROVSA-N 1 0 238.356 1.497 10 0 BDAERO CSc1ccc([C@@](C)([NH3+])C(N)=O)cc1 ZINC000037460240 348615211 /nfs/dbraw/zinc/61/52/11/348615211.db2.gz MYODWAAJUCBISG-SNVBAGLBSA-N 1 0 210.302 1.068 10 0 BDAERO CO[C@H](C)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398880653 323194396 /nfs/dbraw/zinc/19/43/96/323194396.db2.gz XCLXKDQNYFJRMK-WRWGMCAJSA-N 1 0 213.321 1.114 10 0 BDAERO Cc1cnc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)s1 ZINC000302880244 179623359 /nfs/dbraw/zinc/62/33/59/179623359.db2.gz IEXOULXJGWVGQO-RKDXNWHRSA-N 1 0 225.361 1.980 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]Cc1cnc2ccnn2c1 ZINC000308819517 348710912 /nfs/dbraw/zinc/71/09/12/348710912.db2.gz BNPWQPGEZBDVIY-WCBMZHEXSA-N 1 0 202.261 1.227 10 0 BDAERO Cc1cncc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000088451605 179663740 /nfs/dbraw/zinc/66/37/40/179663740.db2.gz QTSSEWVWOLSMNO-NWDGAFQWSA-N 1 0 233.315 1.390 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(F)cc(F)c1 ZINC000054071697 490191678 /nfs/dbraw/zinc/19/16/78/490191678.db2.gz PGMVIPUXMCOSKT-ZCFIWIBFSA-N 1 0 214.215 1.511 10 0 BDAERO CCN1C[C@@]2(C[C@@H]2[NH3+])c2cc(C)ccc21 ZINC000725247534 538013774 /nfs/dbraw/zinc/01/37/74/538013774.db2.gz PKPQMTHWKAGMQP-STQMWFEESA-N 1 0 202.301 1.804 10 0 BDAERO CCCc1nc([C@@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000669383877 538012343 /nfs/dbraw/zinc/01/23/43/538012343.db2.gz ZMQYMNBRQQDZLC-QMMMGPOBSA-N 1 0 207.277 1.559 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000054075393 348877813 /nfs/dbraw/zinc/87/78/13/348877813.db2.gz YAJWGYQREIAZIL-ZJUUUORDSA-N 1 0 237.303 1.254 10 0 BDAERO CCOc1cccc(CNC(=O)[C@@H](C)[NH2+]C)c1 ZINC000054074474 348889198 /nfs/dbraw/zinc/88/91/98/348889198.db2.gz JOJXPYVHFBWIPY-SNVBAGLBSA-N 1 0 236.315 1.309 10 0 BDAERO Cc1cnn(C)c1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000285461404 179720864 /nfs/dbraw/zinc/72/08/64/179720864.db2.gz MZODXLFXXZWEPV-CMPLNLGQSA-N 1 0 223.320 1.386 10 0 BDAERO OCCCC[n+]1ccc(N2CCCC2)cc1 ZINC000005426154 187411775 /nfs/dbraw/zinc/41/17/75/187411775.db2.gz BWUXTRYFZCDXBJ-UHFFFAOYSA-N 1 0 221.324 1.347 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccccc2)C1 ZINC000116510291 348975910 /nfs/dbraw/zinc/97/59/10/348975910.db2.gz ADFBVTAJGJLTTL-DGCLKSJQSA-N 1 0 205.301 1.889 10 0 BDAERO CC(C)C[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290781 348962737 /nfs/dbraw/zinc/96/27/37/348962737.db2.gz VVVDJNYTMNRPDE-RYUDHWBXSA-N 1 0 226.364 1.927 10 0 BDAERO [NH3+]Cc1cccc(O[C@H]2CCCCNC2=O)c1 ZINC000019812262 187417883 /nfs/dbraw/zinc/41/78/83/187417883.db2.gz VCIMVPAICIAVPX-LBPRGKRZSA-N 1 0 234.299 1.193 10 0 BDAERO CC(C)[C@@]1(C)CC(=O)N([C@@H]2CCC[NH2+]C2)C1=O ZINC000035282582 187421449 /nfs/dbraw/zinc/42/14/49/187421449.db2.gz SBTUYTKYVGIDEM-ZWNOBZJWSA-N 1 0 238.331 1.160 10 0 BDAERO C[C@H](NC(=O)C1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000035690785 187421986 /nfs/dbraw/zinc/42/19/86/187421986.db2.gz PJMYNTIQVOXPMZ-CMPLNLGQSA-N 1 0 224.348 1.823 10 0 BDAERO NC(=O)c1ccccc1C[NH2+]CC[C@H]1CCCO1 ZINC000038097318 187426197 /nfs/dbraw/zinc/42/61/97/187426197.db2.gz UVQXUMGMOHFOCY-GFCCVEGCSA-N 1 0 248.326 1.444 10 0 BDAERO COc1cc(Br)ccc1CC[NH3+] ZINC000013450403 187415754 /nfs/dbraw/zinc/41/57/54/187415754.db2.gz OTADZJZZPXOZQT-UHFFFAOYSA-N 1 0 230.105 1.959 10 0 BDAERO COCC[NH2+]Cc1c(C)ccc(N)c1C ZINC000616574866 349082259 /nfs/dbraw/zinc/08/22/59/349082259.db2.gz ZHRPNJPTAGTPCR-UHFFFAOYSA-N 1 0 208.305 1.622 10 0 BDAERO C=CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000616572613 349061726 /nfs/dbraw/zinc/06/17/26/349061726.db2.gz WYHSJZFHRQDMSK-CHWSQXEVSA-N 1 0 248.301 1.655 10 0 BDAERO C[C@H](C(=O)N[C@@]12CC[C@@H]1C[NH2+]C2)C(C)(C)C ZINC000616572795 349063815 /nfs/dbraw/zinc/06/38/15/349063815.db2.gz OVPUZDVGWNROKW-GIPNMCIBSA-N 1 0 224.348 1.537 10 0 BDAERO C/C=C\C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616571928 349064223 /nfs/dbraw/zinc/06/42/23/349064223.db2.gz OQHCZXQYRNHPLQ-HZHJCBGQSA-N 1 0 236.237 1.219 10 0 BDAERO CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616572992 349064403 /nfs/dbraw/zinc/06/44/03/349064403.db2.gz VTUWDBIEUSFBLL-RNFRBKRXSA-N 1 0 224.226 1.053 10 0 BDAERO CC1(C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000616572197 349065346 /nfs/dbraw/zinc/06/53/46/349065346.db2.gz PSOXKFBJOWUAQE-NXEZZACHSA-N 1 0 208.305 1.139 10 0 BDAERO CC(C)C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1[NH3+] ZINC000616572465 349065714 /nfs/dbraw/zinc/06/57/14/349065714.db2.gz WAKMITHLZPYJGH-RYUDHWBXSA-N 1 0 224.348 1.618 10 0 BDAERO COC(=O)CCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000599284640 349147536 /nfs/dbraw/zinc/14/75/36/349147536.db2.gz WQQLWWFIAIZTRE-JTQLQIEISA-N 1 0 231.361 1.767 10 0 BDAERO CC(C)C[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616577797 349119694 /nfs/dbraw/zinc/11/96/94/349119694.db2.gz MGHZXIPHUNNROC-GFCCVEGCSA-N 1 0 208.349 1.859 10 0 BDAERO CCC[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000616578790 349127298 /nfs/dbraw/zinc/12/72/98/349127298.db2.gz QCURNGHIGKOWQM-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H](C)O ZINC000250989699 349181203 /nfs/dbraw/zinc/18/12/03/349181203.db2.gz LPHUYFUEIFVZNO-WOPDTQHZSA-N 1 0 207.317 1.977 10 0 BDAERO C[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@H](C)O ZINC000250989697 349181252 /nfs/dbraw/zinc/18/12/52/349181252.db2.gz LPHUYFUEIFVZNO-UTUOFQBUSA-N 1 0 207.317 1.977 10 0 BDAERO Cc1csc(NC(=O)[C@@](C)([NH3+])C2CC2)n1 ZINC000037478837 179787554 /nfs/dbraw/zinc/78/75/54/179787554.db2.gz GJJTZJCZONZCLC-JTQLQIEISA-N 1 0 225.317 1.517 10 0 BDAERO COC(=O)CCCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000599433949 349173980 /nfs/dbraw/zinc/17/39/80/349173980.db2.gz NQRGXEVYEWLYIU-WDEREUQCSA-N 1 0 229.320 1.175 10 0 BDAERO C[C@@H]1C[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000252951171 349216005 /nfs/dbraw/zinc/21/60/05/349216005.db2.gz DPDRDAKQBUUTAA-GMTAPVOTSA-N 1 0 210.321 1.148 10 0 BDAERO C[C@@H]1C[C@H](C)N(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000253065702 349226052 /nfs/dbraw/zinc/22/60/52/349226052.db2.gz IOMOUPRFUIFXDN-GRYCIOLGSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@@H]1C[C@@H](C)N(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000253065703 349226540 /nfs/dbraw/zinc/22/65/40/349226540.db2.gz IOMOUPRFUIFXDN-IJLUTSLNSA-N 1 0 224.348 1.633 10 0 BDAERO C[NH2+]CCc1cn(C)nc1-c1cccs1 ZINC000221581206 349257474 /nfs/dbraw/zinc/25/74/74/349257474.db2.gz VUIXLDTYPIMSKB-UHFFFAOYSA-N 1 0 221.329 1.911 10 0 BDAERO Cc1nc(S[C@H]([C@H](C)[NH3+])C(C)(C)C)n[nH]1 ZINC000043297951 179840171 /nfs/dbraw/zinc/84/01/71/179840171.db2.gz VXQAREXJDHNILW-POYBYMJQSA-N 1 0 228.365 1.967 10 0 BDAERO O=C1Nc2c(cccc2Cl)[C@]12CC[NH2+]C2 ZINC000211564185 349274422 /nfs/dbraw/zinc/27/44/22/349274422.db2.gz DUUDTIROVQYKSD-LLVKDONJSA-N 1 0 222.675 1.523 10 0 BDAERO Fc1cccc2oc(N[C@@H]3CC[NH2+]C3)nc21 ZINC000212427863 349330944 /nfs/dbraw/zinc/33/09/44/349330944.db2.gz RLUYFBZCLQTGFX-SSDOTTSWSA-N 1 0 221.235 1.741 10 0 BDAERO CO[C@@H](C)c1nc2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253732 538039364 /nfs/dbraw/zinc/03/93/64/538039364.db2.gz WIHHKSNVZMTDLP-YUMQZZPRSA-N 1 0 209.293 1.464 10 0 BDAERO Cc1cc2c(cc1N)[nH]c1c2CC[NH2+]C1 ZINC000725253945 538041234 /nfs/dbraw/zinc/04/12/34/538041234.db2.gz SVMZHDHAQKMZAW-UHFFFAOYSA-N 1 0 201.273 1.704 10 0 BDAERO C[C@@H](O)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000309076749 323225991 /nfs/dbraw/zinc/22/59/91/323225991.db2.gz LISMKBHEWCTEIN-LMLFDSFASA-N 1 0 213.321 1.160 10 0 BDAERO C[NH2+]Cc1ccc(N(C)Cc2cccnc2)nc1 ZINC000051445751 187436581 /nfs/dbraw/zinc/43/65/81/187436581.db2.gz RVDZRXGDXKFMIP-UHFFFAOYSA-N 1 0 242.326 1.832 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccc(Cl)s1 ZINC000070599956 350026887 /nfs/dbraw/zinc/02/68/87/350026887.db2.gz XHLQIYHSYQPNGK-ZCFIWIBFSA-N 1 0 232.736 1.626 10 0 BDAERO C[C@@H]1CCCCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619486 350030270 /nfs/dbraw/zinc/03/02/70/350030270.db2.gz AOTKRHHUEHPPOD-DGCLKSJQSA-N 1 0 224.348 1.920 10 0 BDAERO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000616587279 349419017 /nfs/dbraw/zinc/41/90/17/349419017.db2.gz KJYPLHGUQHVNHH-ZDUSSCGKSA-N 1 0 205.301 1.987 10 0 BDAERO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559312 490290230 /nfs/dbraw/zinc/29/02/30/490290230.db2.gz ONBRRBFPHLAWCZ-WCABBAIRSA-N 1 0 210.321 1.099 10 0 BDAERO Cc1nc(N2CCC(C[NH3+])CC2)sc1C ZINC000082656480 180000894 /nfs/dbraw/zinc/00/08/94/180000894.db2.gz SYGZGJDMAXCLAH-UHFFFAOYSA-N 1 0 225.361 1.935 10 0 BDAERO Cc1nc(N)sc1SC[C@H]1CC[NH2+]C1 ZINC000051891101 180001092 /nfs/dbraw/zinc/00/10/92/180001092.db2.gz HZLSKTFHGFFDGA-ZETCQYMHSA-N 1 0 229.374 1.735 10 0 BDAERO Cc1nc(N2CCCC2)nc(C)c1C[NH3+] ZINC000020274796 180001247 /nfs/dbraw/zinc/00/12/47/180001247.db2.gz DIBHSTHNAXZHSH-UHFFFAOYSA-N 1 0 206.293 1.152 10 0 BDAERO Cc1nc(N2CCOCC2)sc1[C@@H](C)[NH3+] ZINC000040543795 180002142 /nfs/dbraw/zinc/00/21/42/180002142.db2.gz PJZAVEDQXIOQMS-SSDOTTSWSA-N 1 0 227.333 1.308 10 0 BDAERO CC(C)Oc1cncc(N2CCC[C@@H]2C[NH3+])n1 ZINC000071176766 350090050 /nfs/dbraw/zinc/09/00/50/350090050.db2.gz CGQDCQMYRGJVAP-SNVBAGLBSA-N 1 0 236.319 1.191 10 0 BDAERO Cc1c(Br)ccc(=O)n1CCC[NH3+] ZINC000057832399 187438242 /nfs/dbraw/zinc/43/82/42/187438242.db2.gz DZBBDTVVGXPROG-UHFFFAOYSA-N 1 0 245.120 1.268 10 0 BDAERO Cc1nnc([C@](C)([NH3+])c2ccccc2)[nH]1 ZINC000052879570 180057843 /nfs/dbraw/zinc/05/78/43/180057843.db2.gz NIDVPNWWGVINIB-LLVKDONJSA-N 1 0 202.261 1.335 10 0 BDAERO CCS(=O)(=O)N(C)c1ccc(F)c(C[NH3+])c1 ZINC000725255448 538051659 /nfs/dbraw/zinc/05/16/59/538051659.db2.gz BKCYIHNZICSXMP-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)C(=O)N(C)C ZINC000052855413 180082216 /nfs/dbraw/zinc/08/22/16/180082216.db2.gz VUTIOVDICGESHY-QMMMGPOBSA-N 1 0 246.314 1.576 10 0 BDAERO Cc1[nH+]c2cc(N)ccc2n1[C@H]1CCC(=O)NC1 ZINC000104250237 180082642 /nfs/dbraw/zinc/08/26/42/180082642.db2.gz WPQMFUYCQZQOHH-JTQLQIEISA-N 1 0 244.298 1.378 10 0 BDAERO CCS(=O)(=O)N(C)c1ccc(C[NH3+])c(F)c1 ZINC000725256089 538055481 /nfs/dbraw/zinc/05/54/81/538055481.db2.gz TVSXLNHJMNSSNJ-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO COCCC1(C[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000304224957 350144974 /nfs/dbraw/zinc/14/49/74/350144974.db2.gz ISXDQPBHALSKJC-NSHDSACASA-N 1 0 229.364 1.800 10 0 BDAERO Cc1nc2cccnc2n1[C@H]1CC[NH2+]C1 ZINC000075972790 180106974 /nfs/dbraw/zinc/10/69/74/180106974.db2.gz KNKGGHJZHSOIEE-VIFPVBQESA-N 1 0 202.261 1.274 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000392883312 350153012 /nfs/dbraw/zinc/15/30/12/350153012.db2.gz JUTCGTHVRJHZCW-DCAQKATOSA-N 1 0 240.347 1.201 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000304293275 350157025 /nfs/dbraw/zinc/15/70/25/350157025.db2.gz ZHEBABZJRDUXBM-QJPTWQEYSA-N 1 0 229.364 1.534 10 0 BDAERO Cc1nc2ccccc2n1C[C@H](O)C[NH2+]C(C)C ZINC000036950734 180103749 /nfs/dbraw/zinc/10/37/49/180103749.db2.gz BVUXXBJSGNLYNE-GFCCVEGCSA-N 1 0 247.342 1.704 10 0 BDAERO CCC(CC)[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000304258584 350151254 /nfs/dbraw/zinc/15/12/54/350151254.db2.gz SQAZMTYAUMHGOF-NWDGAFQWSA-N 1 0 231.380 1.780 10 0 BDAERO Cc1csc2nc(C)c(C[NH2+][C@@H](C)CO)n12 ZINC000037258291 180117445 /nfs/dbraw/zinc/11/74/45/180117445.db2.gz SKGRTXFPGMHLPJ-ZETCQYMHSA-N 1 0 239.344 1.483 10 0 BDAERO Cc1nc2sccn2c1C[NH2+]C[C@H](C)O ZINC000037257652 180117754 /nfs/dbraw/zinc/11/77/54/180117754.db2.gz XCQQRADHIDAMRH-ZETCQYMHSA-N 1 0 225.317 1.175 10 0 BDAERO COc1ccc(C[NH2+]CCc2nc(C)no2)cc1 ZINC000105470185 191067081 /nfs/dbraw/zinc/06/70/81/191067081.db2.gz XQELNYAVXWMOON-UHFFFAOYSA-N 1 0 247.298 1.719 10 0 BDAERO Cc1ncc(CNC(=O)[C@@](C)([NH3+])C2CC2)s1 ZINC000040998496 180149213 /nfs/dbraw/zinc/14/92/13/180149213.db2.gz NQCRMFNPEVPQFG-NSHDSACASA-N 1 0 239.344 1.195 10 0 BDAERO Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2O)s1 ZINC000084224339 180151937 /nfs/dbraw/zinc/15/19/37/180151937.db2.gz WWBNVVCRDYAQFA-ONGXEEELSA-N 1 0 226.345 1.702 10 0 BDAERO O=C([C@@H]1CCCC[NH2+]1)N1CC2CCC1CC2 ZINC000309235424 350216435 /nfs/dbraw/zinc/21/64/35/350216435.db2.gz AMTXLKLKGSXNSV-MCIGGMRASA-N 1 0 222.332 1.530 10 0 BDAERO Cc1nccc(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000129208725 180192865 /nfs/dbraw/zinc/19/28/65/180192865.db2.gz GIUUDMYVJLZZNR-MFKMUULPSA-N 1 0 246.358 1.500 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CS1 ZINC000392934300 350207054 /nfs/dbraw/zinc/20/70/54/350207054.db2.gz LRWRKEKEXALQKY-DOLQZWNJSA-N 1 0 228.361 1.137 10 0 BDAERO Cc1nccc(CN2CCC[NH2+][C@@H](C)CC2)n1 ZINC000045007765 180183022 /nfs/dbraw/zinc/18/30/22/180183022.db2.gz CTZBTIGPBAWCAC-NSHDSACASA-N 1 0 234.347 1.359 10 0 BDAERO Cc1ncccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000108270467 180210016 /nfs/dbraw/zinc/21/00/16/180210016.db2.gz WSDMEPVLWGZUJN-LLVKDONJSA-N 1 0 233.315 1.166 10 0 BDAERO Cc1ncccc1N[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000134072188 180226613 /nfs/dbraw/zinc/22/66/13/180226613.db2.gz NPCYWGWTFXMNLW-JQWIXIFHSA-N 1 0 235.331 1.569 10 0 BDAERO C[C@@H](C[N@@H+]1CCCC[C@@H]1C)C(N)=S ZINC000221890799 350224879 /nfs/dbraw/zinc/22/48/79/350224879.db2.gz FQCKFXBIJNQWKJ-IUCAKERBSA-N 1 0 200.351 1.783 10 0 BDAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1cccs1 ZINC000725259259 538079604 /nfs/dbraw/zinc/07/96/04/538079604.db2.gz SSDUASFBWNHUNE-UHFFFAOYSA-N 1 0 248.311 1.341 10 0 BDAERO Cc1nccn1CC[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000335598337 180251012 /nfs/dbraw/zinc/25/10/12/180251012.db2.gz WMBIVYMCGGNDOV-CMPLNLGQSA-N 1 0 223.320 1.037 10 0 BDAERO Cc1nccn1[C@@H](C[NH3+])c1ccccc1 ZINC000042899531 180272373 /nfs/dbraw/zinc/27/23/73/180272373.db2.gz GHNYPXZSTXKSNX-LBPRGKRZSA-N 1 0 201.273 1.740 10 0 BDAERO C[C@H]1COCCN1[C@@H]1CCCCCC1=O ZINC000037661132 350283660 /nfs/dbraw/zinc/28/36/60/350283660.db2.gz IRTPAEWHZHVJDS-WDEREUQCSA-N 1 0 211.305 1.609 10 0 BDAERO COC1(OC)CC[C@H](C)C[C@H]1CC[NH3+] ZINC000725261735 538086666 /nfs/dbraw/zinc/08/66/66/538086666.db2.gz DWCGWKURMCPAFE-VHSXEESVSA-N 1 0 201.310 1.761 10 0 BDAERO Cc1nccn1CC[NH2+]CCOc1ccccc1 ZINC000042896283 180260620 /nfs/dbraw/zinc/26/06/20/180260620.db2.gz XHGCOSIHADDQNF-UHFFFAOYSA-N 1 0 245.326 1.860 10 0 BDAERO COC1(OC)CCC2(COC2)C[C@H]1CC[NH3+] ZINC000725261674 538087229 /nfs/dbraw/zinc/08/72/29/538087229.db2.gz BEPDVXHOEKOREB-SNVBAGLBSA-N 1 0 229.320 1.141 10 0 BDAERO Cc1nccn1CCOC1CCC([NH3+])CC1 ZINC000055143335 180261119 /nfs/dbraw/zinc/26/11/19/180261119.db2.gz DZAPZIVWWDKLSE-UHFFFAOYSA-N 1 0 223.320 1.478 10 0 BDAERO COC(=O)c1ccccc1NC(=O)C[C@@H](C)[NH3+] ZINC000037607400 350271552 /nfs/dbraw/zinc/27/15/52/350271552.db2.gz SRPCOBQSQKKPSZ-MRVPVSSYSA-N 1 0 236.271 1.149 10 0 BDAERO Cc1nccn1C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000038827567 180267953 /nfs/dbraw/zinc/26/79/53/180267953.db2.gz OAEFSYKLSSUYJT-NSHDSACASA-N 1 0 245.282 1.620 10 0 BDAERO Cc1nccn1Cc1ccc(C[NH3+])s1 ZINC000016942973 180269360 /nfs/dbraw/zinc/26/93/60/180269360.db2.gz KVAXLQAILIAAOK-UHFFFAOYSA-N 1 0 207.302 1.760 10 0 BDAERO Cc1nccn1[C@H](C[NH3+])c1ccccc1 ZINC000042899534 180270936 /nfs/dbraw/zinc/27/09/36/180270936.db2.gz GHNYPXZSTXKSNX-GFCCVEGCSA-N 1 0 201.273 1.740 10 0 BDAERO Cc1nccn1[C@@H](C[NH3+])c1ccccn1 ZINC000043341287 180271847 /nfs/dbraw/zinc/27/18/47/180271847.db2.gz XVMYAURWDDILQV-NSHDSACASA-N 1 0 202.261 1.135 10 0 BDAERO Cc1nccn1[C@@H](C[NH3+])c1ccncc1 ZINC000043354887 180271972 /nfs/dbraw/zinc/27/19/72/180271972.db2.gz DUGNKHYLNVKYEP-NSHDSACASA-N 1 0 202.261 1.135 10 0 BDAERO Cc1nccn1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042915851 180272257 /nfs/dbraw/zinc/27/22/57/180272257.db2.gz YPHRCPHFHOTUKG-LBPRGKRZSA-N 1 0 219.263 1.879 10 0 BDAERO Cc1ncn(Cc2ccc(C(N)=[NH2+])cc2F)c1C ZINC000051927152 180287526 /nfs/dbraw/zinc/28/75/26/180287526.db2.gz ZKUVVZGSGYIYEN-UHFFFAOYSA-N 1 0 246.289 1.971 10 0 BDAERO Cc1nccnc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000095069443 180280495 /nfs/dbraw/zinc/28/04/95/180280495.db2.gz YKZUVXXQQWXMLU-VHSXEESVSA-N 1 0 206.293 1.467 10 0 BDAERO Cc1nccnc1[C@H]1C[NH+]2CCC1CC2 ZINC000013448166 180284449 /nfs/dbraw/zinc/28/44/49/180284449.db2.gz ROMFTAFFSMTCNH-NSHDSACASA-N 1 0 203.289 1.594 10 0 BDAERO Cc1ncn(-c2cccc(C[NH3+])n2)c1C ZINC000051928479 180285178 /nfs/dbraw/zinc/28/51/78/180285178.db2.gz XSUQSUIDYXZZPO-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO CCNC(=O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000725264030 538090736 /nfs/dbraw/zinc/09/07/36/538090736.db2.gz HAUYOHXCGJHOJK-UHFFFAOYSA-N 1 0 232.327 1.903 10 0 BDAERO O[C@@H](C1CC[NH2+]CC1)C(F)(F)Br ZINC000225657831 350369155 /nfs/dbraw/zinc/36/91/55/350369155.db2.gz FNOGHYWXJAVMKY-LURJTMIESA-N 1 0 244.079 1.335 10 0 BDAERO CC[C@@]1(NC(=O)N[C@@H](C)C(C)C)CCC[NH2+]C1 ZINC000725264112 538090561 /nfs/dbraw/zinc/09/05/61/538090561.db2.gz KDUORDBPQDYEIM-WCQYABFASA-N 1 0 241.379 1.862 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000725264215 538090657 /nfs/dbraw/zinc/09/06/57/538090657.db2.gz PIYFAUFLLVATFW-LLVKDONJSA-N 1 0 239.363 1.426 10 0 BDAERO Cc1ncoc1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235349949 180297792 /nfs/dbraw/zinc/29/77/92/180297792.db2.gz IXMXSIIXAIWZLQ-PSASIEDQSA-N 1 0 237.303 1.182 10 0 BDAERO [NH3+][C@@H]1CCCC12CCN(C(=O)CC1CC1)CC2 ZINC000725264015 538090729 /nfs/dbraw/zinc/09/07/29/538090729.db2.gz FSFANRWGEQZTCW-GFCCVEGCSA-N 1 0 236.359 1.907 10 0 BDAERO c1nc2c(c(N3CC[C@@]4(CC[NH2+]C4)C3)n1)CCC2 ZINC000381009172 350353680 /nfs/dbraw/zinc/35/36/80/350353680.db2.gz QKNIHDIWACGPJK-CQSZACIVSA-N 1 0 244.342 1.155 10 0 BDAERO Cc1ncsc1-c1nc(CCC[NH3+])no1 ZINC000054139063 180302043 /nfs/dbraw/zinc/30/20/43/180302043.db2.gz HSCZXFDFPYHMGK-UHFFFAOYSA-N 1 0 224.289 1.393 10 0 BDAERO [NH3+]C1CC(F)(C(F)(F)Br)C1 ZINC000225683937 350369728 /nfs/dbraw/zinc/36/97/28/350369728.db2.gz WVGZEQMVBCYTKT-UHFFFAOYSA-N 1 0 218.016 1.804 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000050395373 180327093 /nfs/dbraw/zinc/32/70/93/180327093.db2.gz VMCFTUGGECOHPR-DTWKUNHWSA-N 1 0 239.344 1.381 10 0 BDAERO Cc1ncsc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282476754 180322693 /nfs/dbraw/zinc/32/26/93/180322693.db2.gz VAUYWEJMFAHFSV-IONNQARKSA-N 1 0 239.344 1.208 10 0 BDAERO Cc1nn(C)c(N(C)CC2CCC2)c1C[NH3+] ZINC000061480674 180351157 /nfs/dbraw/zinc/35/11/57/180351157.db2.gz XTQCILFKWNMGAM-UHFFFAOYSA-N 1 0 222.336 1.424 10 0 BDAERO Cc1nn(C)c(N(C)CC(C)C)c1C[NH3+] ZINC000037108942 180351276 /nfs/dbraw/zinc/35/12/76/180351276.db2.gz DVZYRJGLCBTKEO-UHFFFAOYSA-N 1 0 210.325 1.279 10 0 BDAERO CCCCNC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264421 538092296 /nfs/dbraw/zinc/09/22/96/538092296.db2.gz MHWBKKQYNSDKEV-DGCLKSJQSA-N 1 0 239.363 1.760 10 0 BDAERO Nc1ccc(N2CC[NH2+]CC2)cc1OC(F)F ZINC000725265211 538092115 /nfs/dbraw/zinc/09/21/15/538092115.db2.gz OMWNKJOVSRUEGQ-UHFFFAOYSA-N 1 0 243.257 1.280 10 0 BDAERO [NH3+][C@H]1CCCC12CCN(C(=O)C1CCC1)CC2 ZINC000725265170 538092150 /nfs/dbraw/zinc/09/21/50/538092150.db2.gz LJULLKCGHCFDDA-LBPRGKRZSA-N 1 0 236.359 1.907 10 0 BDAERO Cc1nn(C)c(Oc2cccnc2)c1C[C@@H](C)[NH3+] ZINC000104297565 180362058 /nfs/dbraw/zinc/36/20/58/180362058.db2.gz TVRRTFYGZDSPPX-SECBINFHSA-N 1 0 246.314 1.806 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2ccncc2)CC1 ZINC000616592558 350466811 /nfs/dbraw/zinc/46/68/11/350466811.db2.gz BVRCGOMZWYOTBE-GFCCVEGCSA-N 1 0 206.289 1.865 10 0 BDAERO Cc1nn(C)c2ncc(NC3CC[NH2+]CC3)cc12 ZINC000038041225 180364766 /nfs/dbraw/zinc/36/47/66/180364766.db2.gz BEZDJLDXPDJVSZ-UHFFFAOYSA-N 1 0 245.330 1.441 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2ncco2)CC1 ZINC000616592441 350462413 /nfs/dbraw/zinc/46/24/13/350462413.db2.gz AJMYZEMBQAXQAP-SNVBAGLBSA-N 1 0 210.277 1.846 10 0 BDAERO CCC[NH2+][C@H]1CCc2nc(OC)ccc2C1 ZINC000034217517 350464563 /nfs/dbraw/zinc/46/45/63/350464563.db2.gz FBBFGNNHQBOZEY-NSHDSACASA-N 1 0 220.316 1.947 10 0 BDAERO CCOC1CC([NH2+][C@H]2CCCN(CC)C2)C1 ZINC000162845183 350443266 /nfs/dbraw/zinc/44/32/66/350443266.db2.gz PSHKDPODQNWGDJ-HIFPTAJRSA-N 1 0 226.364 1.628 10 0 BDAERO CCOC[C@@]1(C(F)(F)F)CC[N@H+](CCO)C1 ZINC000409435598 350478950 /nfs/dbraw/zinc/47/89/50/350478950.db2.gz VQFJGLARWKKYFW-SECBINFHSA-N 1 0 241.253 1.270 10 0 BDAERO COCc1ccc2c(c1)CCN2CC[NH3+] ZINC000409435632 350479127 /nfs/dbraw/zinc/47/91/27/350479127.db2.gz VYAWMJLPVYDHDO-UHFFFAOYSA-N 1 0 206.289 1.154 10 0 BDAERO Cc1nn(C)cc1[C@@H](O)[C@@H]([NH3+])CC(C)C ZINC000082373220 180381538 /nfs/dbraw/zinc/38/15/38/180381538.db2.gz NKRKBLMQAFCGBU-WDEREUQCSA-N 1 0 211.309 1.135 10 0 BDAERO Cc1ncn(-c2nnc(C)c(C)c2C[NH3+])c1C ZINC000051925529 180396017 /nfs/dbraw/zinc/39/60/17/180396017.db2.gz WGGPXHNHUOYMJP-UHFFFAOYSA-N 1 0 231.303 1.355 10 0 BDAERO CN(C)c1cccc(NCC[NH+](C)C)n1 ZINC000060023791 350497343 /nfs/dbraw/zinc/49/73/43/350497343.db2.gz ZXFMVQRMDOWWLL-UHFFFAOYSA-N 1 0 208.309 1.121 10 0 BDAERO Cc1nn(CCC[NH+]2CCCC2)c(C)c1CO ZINC000049333970 180388093 /nfs/dbraw/zinc/38/80/93/180388093.db2.gz PGDHMHBTNYORKM-UHFFFAOYSA-N 1 0 237.347 1.478 10 0 BDAERO Cc1nn(C[C@H]2CC[C@@H](C[NH3+])O2)c(C)c1C ZINC000052591480 180390718 /nfs/dbraw/zinc/39/07/18/180390718.db2.gz GUPTYYQMPNHDNC-NWDGAFQWSA-N 1 0 223.320 1.315 10 0 BDAERO Cc1nn(C[C@H]2CCCCO2)c(C)c1C[NH3+] ZINC000054716393 180391160 /nfs/dbraw/zinc/39/11/60/180391160.db2.gz BBMIEECQISTCEG-LLVKDONJSA-N 1 0 223.320 1.528 10 0 BDAERO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790068 187452429 /nfs/dbraw/zinc/45/24/29/187452429.db2.gz JKLGJJYCKQVJML-VXGBXAGGSA-N 1 0 214.353 1.341 10 0 BDAERO Cc1nnc(COc2cccc(C[C@H](C)[NH3+])c2)o1 ZINC000037726563 180415550 /nfs/dbraw/zinc/41/55/50/180415550.db2.gz VQHBRNCKSXAHOW-VIFPVBQESA-N 1 0 247.298 1.847 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H](C)CC2CC2)C1 ZINC000252634562 538095906 /nfs/dbraw/zinc/09/59/06/538095906.db2.gz DZHZQDBWOVAWFD-YPMHNXCESA-N 1 0 226.364 1.485 10 0 BDAERO COc1ccc(C[C@@H](C[NH3+])N(C)C)cc1 ZINC000041217892 350580595 /nfs/dbraw/zinc/58/05/95/350580595.db2.gz AYQNGQVAYQKNAZ-NSHDSACASA-N 1 0 208.305 1.127 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2cccc(CO)c2)CC1 ZINC000616593820 350584999 /nfs/dbraw/zinc/58/49/99/350584999.db2.gz MCYKXMAQOPDIFM-CQSZACIVSA-N 1 0 235.327 1.962 10 0 BDAERO O=Cc1ccc(-c2cnnn2[C@H]2CC[NH2+]C2)cc1 ZINC000725266206 538096008 /nfs/dbraw/zinc/09/60/08/538096008.db2.gz XESVSBKTTNMLRW-LBPRGKRZSA-N 1 0 242.282 1.292 10 0 BDAERO CSc1nccc(N[C@H]2CCC[NH2+]C2)n1 ZINC000095071854 187454972 /nfs/dbraw/zinc/45/49/72/187454972.db2.gz FRNCBIFBZFYIDX-QMMMGPOBSA-N 1 0 224.333 1.362 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2cnoc2)CC1 ZINC000616594102 350593039 /nfs/dbraw/zinc/59/30/39/350593039.db2.gz OFHUQGORSYUTJG-LLVKDONJSA-N 1 0 210.277 1.846 10 0 BDAERO Nc1ccc([C@H]2CC[N@H+](CCO)CCO2)cc1 ZINC000616594839 350596903 /nfs/dbraw/zinc/59/69/03/350596903.db2.gz IFXNMTVAPOAXPW-CYBMUJFWSA-N 1 0 236.315 1.025 10 0 BDAERO CC(=O)Nc1ccccc1[C@H]1COCC[N@@H+](C)C1 ZINC000616594850 350596924 /nfs/dbraw/zinc/59/69/24/350596924.db2.gz QGSSEXHTZKPDPQ-GFCCVEGCSA-N 1 0 248.326 1.691 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2ccccc2C(N)=O)CC1 ZINC000616595056 350599282 /nfs/dbraw/zinc/59/92/82/350599282.db2.gz SYMQWPHLSSJICZ-GFCCVEGCSA-N 1 0 234.299 1.179 10 0 BDAERO CC(C)(C)OC(=O)C1CC2(C1)CCC[NH2+]2 ZINC000095630151 187455499 /nfs/dbraw/zinc/45/54/99/187455499.db2.gz JKKMWWFRZIMOGX-UHFFFAOYSA-N 1 0 211.305 1.860 10 0 BDAERO CC(C)(C)OC(=O)[C@]1(O)CCC(C)(C)C[C@H]1[NH3+] ZINC000725267244 538097672 /nfs/dbraw/zinc/09/76/72/538097672.db2.gz POCSOBFYZKHPLQ-RNCFNFMXSA-N 1 0 243.347 1.597 10 0 BDAERO CCCNC(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125061106 538097675 /nfs/dbraw/zinc/09/76/75/538097675.db2.gz VCAWEYFXZIXBHO-JTQLQIEISA-N 1 0 213.325 1.309 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cccc(N)n1 ZINC000616596611 350633172 /nfs/dbraw/zinc/63/31/72/350633172.db2.gz DMEVHMVPGIZTFV-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO CC(=O)[C@@H](C[NH3+])Cc1ccc2ccccc2n1 ZINC000098096037 187458142 /nfs/dbraw/zinc/45/81/42/187458142.db2.gz QZXSLOLFAOKRCQ-GFCCVEGCSA-N 1 0 228.295 1.941 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616597918 350654288 /nfs/dbraw/zinc/65/42/88/350654288.db2.gz VHTVIXQUZRMRJP-LBPRGKRZSA-N 1 0 234.299 1.179 10 0 BDAERO CC1(C)OC[C@H]([C@@H](CO)CC[NH2+]C2CCC2)O1 ZINC000725267371 538098462 /nfs/dbraw/zinc/09/84/62/538098462.db2.gz BGKZVQDUGDWXFE-ZYHUDNBSSA-N 1 0 243.347 1.279 10 0 BDAERO CC[N@@H+]1CCOCC[C@H]1c1ccccc1CO ZINC000616598825 350687565 /nfs/dbraw/zinc/68/75/65/350687565.db2.gz SIYIURKUVXRXCO-AWEZNQCLSA-N 1 0 235.327 1.962 10 0 BDAERO Nc1ccc([C@H]2CCOCC[N@@H+]2CCO)cc1 ZINC000616599708 350754889 /nfs/dbraw/zinc/75/48/89/350754889.db2.gz VBYOAOFDALJYBJ-CYBMUJFWSA-N 1 0 236.315 1.025 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1cccc(CCO)c1 ZINC000616599653 350755000 /nfs/dbraw/zinc/75/50/00/350755000.db2.gz MWPQGCOEVDGPTR-CQSZACIVSA-N 1 0 235.327 1.615 10 0 BDAERO CC(C)[C@@H](C)[C@@H]([NH2+]Cc1ccccc1)C(N)=O ZINC000306672691 350815811 /nfs/dbraw/zinc/81/58/11/350815811.db2.gz MHNXFGSOFGGXBB-DGCLKSJQSA-N 1 0 234.343 1.922 10 0 BDAERO C[C@H]([NH3+])c1noc(-c2scnc2Cl)n1 ZINC000306673371 350819636 /nfs/dbraw/zinc/81/96/36/350819636.db2.gz NJRPINXALXURLH-VKHMYHEASA-N 1 0 230.680 1.866 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2ccnnc2)CC1 ZINC000616600421 350780251 /nfs/dbraw/zinc/78/02/51/350780251.db2.gz FADQARFVYMQTEI-LLVKDONJSA-N 1 0 220.320 1.005 10 0 BDAERO CC(=O)Nc1cccc([C@H]2CN(C)CC[NH2+]2)c1 ZINC000616600795 350780450 /nfs/dbraw/zinc/78/04/50/350780450.db2.gz MEFCPKXFPKCRCS-CYBMUJFWSA-N 1 0 233.315 1.221 10 0 BDAERO CC(=O)Nc1ccccc1[C@H]1C[NH2+]CCN1C ZINC000616600945 350781237 /nfs/dbraw/zinc/78/12/37/350781237.db2.gz DLGVLKGSOLNAFU-CYBMUJFWSA-N 1 0 233.315 1.221 10 0 BDAERO CCOC(=O)c1ccc([C@H]2COCCC[NH2+]2)cc1 ZINC000616601661 350786849 /nfs/dbraw/zinc/78/68/49/350786849.db2.gz FAOPXZVHCODHDI-CYBMUJFWSA-N 1 0 249.310 1.914 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2ccncc2)C1 ZINC000616603226 350789312 /nfs/dbraw/zinc/78/93/12/350789312.db2.gz DIGSKABMTGQSJL-ZDUSSCGKSA-N 1 0 220.316 1.643 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2ncccn2)C1 ZINC000616603300 350789365 /nfs/dbraw/zinc/78/93/65/350789365.db2.gz FYJAVOMNYDZNCQ-NSHDSACASA-N 1 0 220.320 1.005 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ncccn2)CC1 ZINC000616602257 350790716 /nfs/dbraw/zinc/79/07/16/350790716.db2.gz WDSXDNMPCSQQOJ-LLVKDONJSA-N 1 0 221.304 1.038 10 0 BDAERO CCN1CC[NH2+][C@H](c2ccccc2NC(C)=O)C1 ZINC000616604738 350793207 /nfs/dbraw/zinc/79/32/07/350793207.db2.gz ZBQZMHOFGJTCIT-AWEZNQCLSA-N 1 0 247.342 1.611 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](OC(F)(F)F)C1 ZINC000616604868 350793219 /nfs/dbraw/zinc/79/32/19/350793219.db2.gz RLVXDZSLCYXDEP-QMMMGPOBSA-N 1 0 227.226 1.370 10 0 BDAERO NC(=O)c1cccc([C@H]2CCCC[NH2+]C2)c1 ZINC000616604913 350793587 /nfs/dbraw/zinc/79/35/87/350793587.db2.gz GTONAMMFNKBMSD-LBPRGKRZSA-N 1 0 218.300 1.643 10 0 BDAERO C[N@@H+]1CCCC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616605704 350794918 /nfs/dbraw/zinc/79/49/18/350794918.db2.gz VEYCKLFXAAKNAG-CYBMUJFWSA-N 1 0 232.327 1.985 10 0 BDAERO OCC[N@@H+]1CCC[C@H]1c1ccc2ccnnc2c1 ZINC000616606967 350799041 /nfs/dbraw/zinc/79/90/41/350799041.db2.gz ADDDCTCEQHCWPZ-AWEZNQCLSA-N 1 0 243.310 1.759 10 0 BDAERO [NH3+]CCN1CCC[C@H]1c1ccc(CO)cc1 ZINC000616608196 350800442 /nfs/dbraw/zinc/80/04/42/350800442.db2.gz NOGCUQVRYNFLCX-ZDUSSCGKSA-N 1 0 220.316 1.275 10 0 BDAERO OCCc1cccc([C@@H]2CCC[N@H+]2CCO)c1 ZINC000616607114 350800466 /nfs/dbraw/zinc/80/04/66/350800466.db2.gz GUCFLOBDIAJKBC-AWEZNQCLSA-N 1 0 235.327 1.351 10 0 BDAERO CNc1cccc([C@H]2CCC[N@@H+]2CCO)c1 ZINC000616608626 350805363 /nfs/dbraw/zinc/80/53/63/350805363.db2.gz XURQXVCLHOBCRX-CYBMUJFWSA-N 1 0 220.316 1.858 10 0 BDAERO Nc1ccccc1[C@H]1CCN(CC[NH3+])C1 ZINC000616611305 350810732 /nfs/dbraw/zinc/81/07/32/350810732.db2.gz BZVPMOVMOFCWQQ-JTQLQIEISA-N 1 0 205.305 1.017 10 0 BDAERO Nc1cccc([C@@H]2CC[N@H+](CCO)C2)c1 ZINC000616614366 350831997 /nfs/dbraw/zinc/83/19/97/350831997.db2.gz LGCBSSLKPNXNJY-LLVKDONJSA-N 1 0 206.289 1.050 10 0 BDAERO [NH3+]C[C@@H](c1ccc(Cl)s1)N1CC(O)C1 ZINC000306679784 350834409 /nfs/dbraw/zinc/83/44/09/350834409.db2.gz ISNNABYXUBSEEL-ZETCQYMHSA-N 1 0 232.736 1.078 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Cc1ccoc1 ZINC000306681695 350838340 /nfs/dbraw/zinc/83/83/40/350838340.db2.gz OWYPTPIAKZVULI-GXSJLCMTSA-N 1 0 207.273 1.779 10 0 BDAERO C[C@H]1OCC[C@]1(C)NC(=[NH2+])NCc1ccccc1 ZINC000306695171 350846876 /nfs/dbraw/zinc/84/68/76/350846876.db2.gz USUQVKMIMDLHID-RISCZKNCSA-N 1 0 247.342 1.868 10 0 BDAERO C[C@@H]1[NH2+]CCN([C@@H]2CCSC2)[C@H]1C ZINC000306698643 350847651 /nfs/dbraw/zinc/84/76/51/350847651.db2.gz HRDYNHLYDGNTON-LPEHRKFASA-N 1 0 200.351 1.174 10 0 BDAERO CC1(C)CS[C@@](C)([C@H]2CCCO2)[NH2+]1 ZINC000306708374 350856799 /nfs/dbraw/zinc/85/67/99/350856799.db2.gz OFZSFRSGSDMIQH-SCZZXKLOSA-N 1 0 201.335 1.997 10 0 BDAERO CC1(C)CNC(=[NH+]OCc2ccccc2)NC1 ZINC000306707958 350856983 /nfs/dbraw/zinc/85/69/83/350856983.db2.gz NMXYUGYNXBFKDO-UHFFFAOYSA-N 1 0 233.315 1.693 10 0 BDAERO CC[C@](C)([NH3+])c1nccnc1C(F)F ZINC000306710107 350859979 /nfs/dbraw/zinc/85/99/79/350859979.db2.gz QHZQMTXZTDSFFK-VIFPVBQESA-N 1 0 201.220 1.998 10 0 BDAERO C[C@]1([C@@H]2OCC[C@H]2C[NH3+])CCCS1 ZINC000306709283 350860034 /nfs/dbraw/zinc/86/00/34/350860034.db2.gz OXHAKSCLYXTTCY-IVZWLZJFSA-N 1 0 201.335 1.636 10 0 BDAERO COc1cc([C@@]2(F)CC[NH2+]C2)sn1 ZINC000306710417 350860627 /nfs/dbraw/zinc/86/06/27/350860627.db2.gz SVGDIXVLGRQCKP-MRVPVSSYSA-N 1 0 202.254 1.310 10 0 BDAERO C[C@@H]1CCC[N@@H+]1C[C@H]1CSCCN1 ZINC000251589096 350899401 /nfs/dbraw/zinc/89/94/01/350899401.db2.gz BGWLVJPXINSVMK-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO CCn1ccnc1-c1cnc(C[NH3+])s1 ZINC000306730532 350900149 /nfs/dbraw/zinc/90/01/49/350900149.db2.gz PNJISTSPUTZUGJ-UHFFFAOYSA-N 1 0 208.290 1.485 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2CSC[C@H]2C)S1 ZINC000306733119 350903254 /nfs/dbraw/zinc/90/32/54/350903254.db2.gz ICJAZPFLQLJKTD-BWZBUEFSSA-N 1 0 216.375 1.819 10 0 BDAERO CO[C@@]1(C)CC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000306734571 350904798 /nfs/dbraw/zinc/90/47/98/350904798.db2.gz UWBSEDXJTOYDSS-PWSUYJOCSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+]CC[C@H](C)[S@](=O)[C@@H]2C1 ZINC000251924829 362987936 /nfs/dbraw/zinc/98/79/36/362987936.db2.gz UWEOLNAXXRPJKK-SLVJWFQDSA-N 1 0 215.362 1.674 10 0 BDAERO C[NH2+][C@@H]1CCN(CC(F)F)[C@@H](C)[C@H]1C ZINC000252721455 350914871 /nfs/dbraw/zinc/91/48/71/350914871.db2.gz NSWBUYZBGSKZBI-HRDYMLBCSA-N 1 0 206.280 1.570 10 0 BDAERO C[NH2+][C@@H]1CCN(CC(F)F)[C@H](C)[C@H]1C ZINC000252721456 350914951 /nfs/dbraw/zinc/91/49/51/350914951.db2.gz NSWBUYZBGSKZBI-IWSPIJDZSA-N 1 0 206.280 1.570 10 0 BDAERO CNc1ccccc1C1CCN(CC[NH3+])CC1 ZINC000616619822 350928291 /nfs/dbraw/zinc/92/82/91/350928291.db2.gz RKHQPPKJBKUOGH-UHFFFAOYSA-N 1 0 233.359 1.866 10 0 BDAERO O[C@H](c1ccc(Cl)s1)[C@H]1C=CC[NH2+]1 ZINC000306725229 350894458 /nfs/dbraw/zinc/89/44/58/350894458.db2.gz KEBCWLRXGPLFJL-MUWHJKNJSA-N 1 0 215.705 1.963 10 0 BDAERO CC(=O)[C@@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000306754517 350966189 /nfs/dbraw/zinc/96/61/89/350966189.db2.gz POXDBRDNBATBEC-DTWKUNHWSA-N 1 0 201.335 1.649 10 0 BDAERO [NH3+][C@H](Cc1cncs1)c1ccncc1 ZINC000159709080 350980273 /nfs/dbraw/zinc/98/02/73/350980273.db2.gz KGAURSQKFNVVRL-SNVBAGLBSA-N 1 0 205.286 1.781 10 0 BDAERO Cn1ccnc1[C@H]([NH3+])Cc1cncs1 ZINC000159740014 350990717 /nfs/dbraw/zinc/99/07/17/350990717.db2.gz YEDKKSNDFUTZBT-MRVPVSSYSA-N 1 0 208.290 1.119 10 0 BDAERO [NH3+]C[C@@]1(Cc2cncs2)CCCS1 ZINC000159811601 351005318 /nfs/dbraw/zinc/00/53/18/351005318.db2.gz GIDVASXKWJKOBV-VIFPVBQESA-N 1 0 214.359 1.910 10 0 BDAERO Cc1nnc(NC(C)(C)[C@H](C)[NH3+])s1 ZINC000128975034 350950812 /nfs/dbraw/zinc/95/08/12/350950812.db2.gz APPJEBSYXPZNQV-YFKPBYRVSA-N 1 0 200.311 1.384 10 0 BDAERO C[C@H](C(N)=[NH2+])N1CCS[C@H](C)CC1 ZINC000306776777 351017838 /nfs/dbraw/zinc/01/78/38/351017838.db2.gz ZVBNPBAYTFWRKL-HTQZYQBOSA-N 1 0 201.339 1.138 10 0 BDAERO C[C@H]([NH3+])CNc1ccncc1Br ZINC000159902156 351024096 /nfs/dbraw/zinc/02/40/96/351024096.db2.gz LDJJILQYXNOWQS-LURJTMIESA-N 1 0 230.109 1.603 10 0 BDAERO C[C@@](O)(C[NH3+])Cc1cccc(F)c1Cl ZINC000159906406 351024887 /nfs/dbraw/zinc/02/48/87/351024887.db2.gz CDYNJQODWMRFMG-JTQLQIEISA-N 1 0 217.671 1.731 10 0 BDAERO C[C@](O)(C[NH3+])Cc1cccc(F)c1Cl ZINC000159906270 351025133 /nfs/dbraw/zinc/02/51/33/351025133.db2.gz CDYNJQODWMRFMG-SNVBAGLBSA-N 1 0 217.671 1.731 10 0 BDAERO C[C@H](C(=O)[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000306795074 351042815 /nfs/dbraw/zinc/04/28/15/351042815.db2.gz GGZSOKNQPMDUMU-AXFHLTTASA-N 1 0 211.305 1.370 10 0 BDAERO Cc1oncc1-c1nc([C@H]([NH3+])C(C)C)no1 ZINC000041052601 180553547 /nfs/dbraw/zinc/55/35/47/180553547.db2.gz KSFAEWFMPPUYKF-MRVPVSSYSA-N 1 0 222.248 1.689 10 0 BDAERO CC1CCC(C[NH2+]Cc2cnn[nH]2)CC1 ZINC000398349902 351048356 /nfs/dbraw/zinc/04/83/56/351048356.db2.gz ZDABOMFSLUPKQF-UHFFFAOYSA-N 1 0 208.309 1.721 10 0 BDAERO CC(C)N1CC([NH2+][C@@H]2CS[C@@H](C)C2)C1 ZINC000306806871 351058708 /nfs/dbraw/zinc/05/87/08/351058708.db2.gz LCOLPTOUAPWCDK-UWVGGRQHSA-N 1 0 214.378 1.563 10 0 BDAERO CC(C)N1CC([NH2+][C@H]2CCS[C@H]2C)C1 ZINC000306806794 351059771 /nfs/dbraw/zinc/05/97/71/351059771.db2.gz KYOKNTZSPRYCGW-ONGXEEELSA-N 1 0 214.378 1.563 10 0 BDAERO CC(C)[S@](=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000306807430 351061180 /nfs/dbraw/zinc/06/11/80/351061180.db2.gz MIOHSDABBAZBNY-OTYXRUKQSA-N 1 0 218.366 1.118 10 0 BDAERO C[NH2+]CCc1nc2c(s1)COC2(C)C ZINC000306772768 351010552 /nfs/dbraw/zinc/01/05/52/351010552.db2.gz SVLWGBXUTPQHKY-UHFFFAOYSA-N 1 0 212.318 1.670 10 0 BDAERO C[C@H]([C@H](C)N)[N@@H+]1CCSC[C@@H](C)C1 ZINC000306773701 351014629 /nfs/dbraw/zinc/01/46/29/351014629.db2.gz UWVWODDDVNXIAG-LPEHRKFASA-N 1 0 202.367 1.407 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2cnco2)CC1 ZINC000616629656 351100915 /nfs/dbraw/zinc/10/09/15/351100915.db2.gz SWRLPMRNYPUAMC-JTQLQIEISA-N 1 0 209.293 1.203 10 0 BDAERO [NH3+]CCN1CCCC[C@@H](c2ccncn2)C1 ZINC000616630932 351104574 /nfs/dbraw/zinc/10/45/74/351104574.db2.gz WHRJADFTGORZGW-LLVKDONJSA-N 1 0 220.320 1.005 10 0 BDAERO c1cc2cc([C@@H]3C[NH2+]CCN3)ccc2cn1 ZINC000616631576 351105443 /nfs/dbraw/zinc/10/54/43/351105443.db2.gz COPZEIJXUUBIHT-ZDUSSCGKSA-N 1 0 213.284 1.469 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ccncc2)CC1 ZINC000616626850 351107148 /nfs/dbraw/zinc/10/71/48/351107148.db2.gz FWMDKRLHXKGWPE-GFCCVEGCSA-N 1 0 220.316 1.643 10 0 BDAERO CCOC(=O)N1CCCC[C@H]([NH+](C)C)C1 ZINC000616627272 351107695 /nfs/dbraw/zinc/10/76/95/351107695.db2.gz GILXILQMESORPA-JTQLQIEISA-N 1 0 214.309 1.559 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2ccccc2N)C1 ZINC000616632464 351112578 /nfs/dbraw/zinc/11/25/78/351112578.db2.gz RLFUVYUVIRACSA-GFCCVEGCSA-N 1 0 205.305 1.235 10 0 BDAERO CN1CC[NH2+][C@H](c2ccc3ccnnc3c2)C1 ZINC000616632741 351113803 /nfs/dbraw/zinc/11/38/03/351113803.db2.gz PBYCGWFDHWELAZ-ZDUSSCGKSA-N 1 0 228.299 1.206 10 0 BDAERO C[S@@](=O)Nc1cccc2c1CC[NH2+]C2 ZINC000306810791 351078592 /nfs/dbraw/zinc/07/85/92/351078592.db2.gz VGMNVCIBNNMTFN-CQSZACIVSA-N 1 0 210.302 1.038 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H]1c1ccc(CO)cc1 ZINC000616636301 351124613 /nfs/dbraw/zinc/12/46/13/351124613.db2.gz CXOKXVNUTIJJHD-CQSZACIVSA-N 1 0 235.327 1.961 10 0 BDAERO CCOC(=O)N1CCCCC[C@@H]1CC[NH3+] ZINC000616622805 351087757 /nfs/dbraw/zinc/08/77/57/351087757.db2.gz SZENHVHHEXSTFH-SNVBAGLBSA-N 1 0 214.309 1.736 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cnc[nH]1 ZINC000616644707 351162525 /nfs/dbraw/zinc/16/25/25/351162525.db2.gz GTDIYFRIXHPJPC-NSHDSACASA-N 1 0 209.293 1.582 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccncn1 ZINC000616647357 351169598 /nfs/dbraw/zinc/16/95/98/351169598.db2.gz YYZGVQDATWAPKE-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cccnc1N ZINC000616646562 351171149 /nfs/dbraw/zinc/17/11/49/351171149.db2.gz YKCHZCNLLAJZLC-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO CC[N@@H+]1CCCOC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616649992 351172497 /nfs/dbraw/zinc/17/24/97/351172497.db2.gz TUCLAFCQSFTUOI-ZDUSSCGKSA-N 1 0 248.326 1.569 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2nc[nH]n2)C1 ZINC000616650053 351173334 /nfs/dbraw/zinc/17/33/34/351173334.db2.gz RICNTPXGRVVRCB-VIFPVBQESA-N 1 0 224.308 1.367 10 0 BDAERO CNc1cccc([C@H]2CN(CC[NH3+])CCO2)c1 ZINC000616647604 351173978 /nfs/dbraw/zinc/17/39/78/351173978.db2.gz WNCZMZZXXWQCJJ-CYBMUJFWSA-N 1 0 235.331 1.060 10 0 BDAERO C[C@H]1C[NH2+][C@@]2(COC(C)(C)C2)SC1 ZINC000306855752 351175946 /nfs/dbraw/zinc/17/59/46/351175946.db2.gz WXFZETYRVGZXBB-WCBMZHEXSA-N 1 0 201.335 1.854 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@@H](n2ccnc2)C1 ZINC000616653646 351194088 /nfs/dbraw/zinc/19/40/88/351194088.db2.gz RWLRHDMOYSZSMV-LLVKDONJSA-N 1 0 223.320 1.903 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2ncccn2)C1 ZINC000616650374 351180242 /nfs/dbraw/zinc/18/02/42/351180242.db2.gz YXDSWMSBWQMPND-NSHDSACASA-N 1 0 221.304 1.648 10 0 BDAERO CC[N@@H+]1CCCO[C@H](c2cccc(N)n2)C1 ZINC000616649844 351180342 /nfs/dbraw/zinc/18/03/42/351180342.db2.gz LGZDVQHZSKHFHP-NSHDSACASA-N 1 0 221.304 1.447 10 0 BDAERO OCc1cccc([C@@H]2C[NH2+]CCCO2)c1 ZINC000616653345 351188057 /nfs/dbraw/zinc/18/80/57/351188057.db2.gz STRSNLLCAPBSSU-LBPRGKRZSA-N 1 0 207.273 1.230 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2cnco2)C1 ZINC000616652205 351190678 /nfs/dbraw/zinc/19/06/78/351190678.db2.gz FKWBDCQCCDUIBF-SNVBAGLBSA-N 1 0 210.277 1.236 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1cccc2cccnc21 ZINC000616637447 351132801 /nfs/dbraw/zinc/13/28/01/351132801.db2.gz MNIIXIUDICJWLN-ZDUSSCGKSA-N 1 0 227.311 1.811 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1ccno1 ZINC000616637833 351136274 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/nfs/dbraw/zinc/23/88/16/351238816.db2.gz ICLJNJNEIDLPHC-LLVKDONJSA-N 1 0 244.298 1.370 10 0 BDAERO [NH3+]CCN1C[C@@H](c2ccon2)Cc2ccccc21 ZINC000616672994 351240168 /nfs/dbraw/zinc/24/01/68/351240168.db2.gz RSKDFNHCBXKFLQ-LBPRGKRZSA-N 1 0 243.310 1.780 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cnco2)c2ccccc21 ZINC000616676578 351241114 /nfs/dbraw/zinc/24/11/14/351241114.db2.gz XIBCOYOTOPKOAD-LBPRGKRZSA-N 1 0 243.310 1.975 10 0 BDAERO COC(=O)[C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616676787 351241785 /nfs/dbraw/zinc/24/17/85/351241785.db2.gz YXFCROWPDLIMRJ-NSHDSACASA-N 1 0 234.299 1.112 10 0 BDAERO CCOC(=O)c1ccccc1[C@H]1CN(C)CCO1 ZINC000616678270 351246314 /nfs/dbraw/zinc/24/63/14/351246314.db2.gz WMMIGDIEALTUDI-CYBMUJFWSA-N 1 0 249.310 1.866 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccno1 ZINC000616679913 351247155 /nfs/dbraw/zinc/24/71/55/351247155.db2.gz HPRMXKCOGJKJBH-AWEZNQCLSA-N 1 0 243.310 1.581 10 0 BDAERO C[C@H]1CSC(NCCc2nccs2)=[NH+]1 ZINC000063134788 351247796 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/nfs/dbraw/zinc/20/17/09/351201709.db2.gz LWDJSPLJYPAHAG-LLVKDONJSA-N 1 0 223.320 1.972 10 0 BDAERO CC(=O)Nc1ccccc1[C@H]1C[NH2+]CCOC1 ZINC000616658864 351205047 /nfs/dbraw/zinc/20/50/47/351205047.db2.gz GHKRNYLQVVKJGF-NSHDSACASA-N 1 0 234.299 1.348 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccncn2)C1 ZINC000616659036 351205159 /nfs/dbraw/zinc/20/51/59/351205159.db2.gz BHGQLBZXZGYFED-NSHDSACASA-N 1 0 235.331 1.691 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2cccnc2N)C1 ZINC000616660420 351205500 /nfs/dbraw/zinc/20/55/00/351205500.db2.gz MNIQMNYLNAYMNV-LLVKDONJSA-N 1 0 235.331 1.488 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ncc[nH]2)C1 ZINC000616659227 351206170 /nfs/dbraw/zinc/20/61/70/351206170.db2.gz DIVQPRSEESXGEF-JTQLQIEISA-N 1 0 223.320 1.624 10 0 BDAERO OCCc1cccc([C@@H]2CCOCC[NH2+]2)c1 ZINC000616659824 351208323 /nfs/dbraw/zinc/20/83/23/351208323.db2.gz RLRCAPVQYOPFGL-ZDUSSCGKSA-N 1 0 221.300 1.272 10 0 BDAERO CC(=O)Nc1ccc([C@H]2C[NH2+]CCOC2)cc1 ZINC000616659974 351208926 /nfs/dbraw/zinc/20/89/26/351208926.db2.gz LMSYXNYEDCZTDS-LBPRGKRZSA-N 1 0 234.299 1.348 10 0 BDAERO OCCc1ccc([C@H]2CCOCC[NH2+]2)cc1 ZINC000616659903 351208979 /nfs/dbraw/zinc/20/89/79/351208979.db2.gz RYGHHBAOWMLLLB-CYBMUJFWSA-N 1 0 221.300 1.272 10 0 BDAERO COc1ccc([C@@H]2COCC[N@H+](C)C2)cc1 ZINC000616661333 351209844 /nfs/dbraw/zinc/20/98/44/351209844.db2.gz QIZNCCABBUZXPE-LBPRGKRZSA-N 1 0 221.300 1.741 10 0 BDAERO CC[N@@H+]1CCOC[C@H](c2ccc(CO)cc2)C1 ZINC000616660556 351212076 /nfs/dbraw/zinc/21/20/76/351212076.db2.gz NRQKKTMAOKWRQI-CQSZACIVSA-N 1 0 235.327 1.615 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2c[nH]cn2)C1 ZINC000616661710 351212532 /nfs/dbraw/zinc/21/25/32/351212532.db2.gz WDRCHQDFSPQAMD-JTQLQIEISA-N 1 0 223.320 1.624 10 0 BDAERO c1cc2ccnnc2c([C@H]2CC[NH2+]CCO2)c1 ZINC000616662996 351214718 /nfs/dbraw/zinc/21/47/18/351214718.db2.gz NRUDKBRTVWHHFL-GFCCVEGCSA-N 1 0 229.283 1.681 10 0 BDAERO c1ccc2nnc([C@@H]3CC[NH2+]CCO3)cc2c1 ZINC000616663506 351215863 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187492187 /nfs/dbraw/zinc/49/21/87/187492187.db2.gz AWTYOBYGJZXPLT-JTQLQIEISA-N 1 0 208.309 1.401 10 0 BDAERO C[C@H]1[NH2+]CCC[C@]1(O)C(F)(F)Br ZINC000307187574 351588081 /nfs/dbraw/zinc/58/80/81/351588081.db2.gz WDCIJUQSPJWPAF-PHDIDXHHSA-N 1 0 244.079 1.477 10 0 BDAERO Cn1c(C(=O)NCC[NH3+])cc2cc(F)ccc21 ZINC000032500339 180614656 /nfs/dbraw/zinc/61/46/56/180614656.db2.gz MHJPOGKVKYBKFL-UHFFFAOYSA-N 1 0 235.262 1.006 10 0 BDAERO COc1ccc(C[C@H]2CC[NH2+]C2)cc1F ZINC000057939071 187493569 /nfs/dbraw/zinc/49/35/69/187493569.db2.gz DGUHCPBDRNRLLY-SNVBAGLBSA-N 1 0 209.264 1.986 10 0 BDAERO O=C(c1ccc[nH]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000307194274 351595439 /nfs/dbraw/zinc/59/54/39/351595439.db2.gz IRQQSJWZIOKHHM-VIFPVBQESA-N 1 0 204.273 1.587 10 0 BDAERO Cc1nc([C@H]([NH3+])[C@@H]2CO[C@H](C)C2)cs1 ZINC000307217788 351616486 /nfs/dbraw/zinc/61/64/86/351616486.db2.gz CKQYTJXTQLHVLL-KDILMLJESA-N 1 0 212.318 1.876 10 0 BDAERO Cn1cnnc1[C@@H]([NH3+])[C@H]1CCCCS1 ZINC000307217419 351618495 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352304041 /nfs/dbraw/zinc/30/40/41/352304041.db2.gz DMKLKAFSFOFAQP-BDAKNGLRSA-N 1 0 240.376 1.848 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCC1CC=CC1 ZINC000638493850 352308045 /nfs/dbraw/zinc/30/80/45/352308045.db2.gz NIKQIVUGXMNIOS-LBPRGKRZSA-N 1 0 222.332 1.459 10 0 BDAERO OC[C@H]1CCCC[N@H+](C/C=C\Cl)C1 ZINC000393533769 352353374 /nfs/dbraw/zinc/35/33/74/352353374.db2.gz FKIUXWUBOVECAL-ATPLWMGHSA-N 1 0 203.713 1.833 10 0 BDAERO CC(C)CC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000725271452 538102971 /nfs/dbraw/zinc/10/29/71/538102971.db2.gz NIRDMDWYCCGRCY-MNOVXSKESA-N 1 0 212.337 1.476 10 0 BDAERO CCCNC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000725270975 538103055 /nfs/dbraw/zinc/10/30/55/538103055.db2.gz HHPVAVDRJZYESE-NXEZZACHSA-N 1 0 213.325 1.023 10 0 BDAERO C/C(=C/c1c(Br)nnn1C)[C@@H](C)[NH3+] ZINC000393564833 352423198 /nfs/dbraw/zinc/42/31/98/352423198.db2.gz HUALAJHAWSANGE-WWVFMHICSA-N 1 0 245.124 1.328 10 0 BDAERO CCCN(CC(C)C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000638597523 352429051 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1.380 10 0 BDAERO Cc1ccoc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638885649 353052776 /nfs/dbraw/zinc/05/27/76/353052776.db2.gz DHAMHMXYOOZIQB-NXEZZACHSA-N 1 0 222.288 1.255 10 0 BDAERO COc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000638886359 353053151 /nfs/dbraw/zinc/05/31/51/353053151.db2.gz QQZPFZHPZGMTHD-CMPLNLGQSA-N 1 0 248.326 1.362 10 0 BDAERO [NH3+]CCNc1ccc(Br)nc1 ZINC000307718414 353109105 /nfs/dbraw/zinc/10/91/05/353109105.db2.gz LCMAWCUKQLVULA-UHFFFAOYSA-N 1 0 216.082 1.215 10 0 BDAERO COC[C@H](N)C[N@H+](Cc1ccccc1)C(C)C ZINC000160038605 353111189 /nfs/dbraw/zinc/11/11/89/353111189.db2.gz BOZSTFHSOVBGPJ-CQSZACIVSA-N 1 0 236.359 1.871 10 0 BDAERO CCCCC[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000117880026 168696559 /nfs/dbraw/zinc/69/65/59/168696559.db2.gz ZVEVOZJTFDPPJF-CYBMUJFWSA-N 1 0 228.380 1.829 10 0 BDAERO CCCCCN1C[C@H](C[NH2+]C)OC1=O ZINC000077296878 168702015 /nfs/dbraw/zinc/70/20/15/168702015.db2.gz KZNFGFIDLQSUHA-VIFPVBQESA-N 1 0 200.282 1.217 10 0 BDAERO C[C@@H]1OCC[C@]1(C[NH3+])[C@@H]1CCSC1 ZINC000405205974 353143168 /nfs/dbraw/zinc/14/31/68/353143168.db2.gz AFRCQNPIDXPQSR-IVZWLZJFSA-N 1 0 201.335 1.493 10 0 BDAERO CN(C)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC000033435087 188081654 /nfs/dbraw/zinc/08/16/54/188081654.db2.gz OTHDSABZYPTAGH-UHFFFAOYSA-N 1 0 247.342 1.316 10 0 BDAERO COc1ccc(N)cc1C[N@H+](C)C1CC1 ZINC000037080387 188105435 /nfs/dbraw/zinc/10/54/35/188105435.db2.gz WMSCSJPKPZTUJT-UHFFFAOYSA-N 1 0 206.289 1.872 10 0 BDAERO Nc1c[nH+]ccc1NCc1ccccn1 ZINC000019755415 363206661 /nfs/dbraw/zinc/20/66/61/363206661.db2.gz PIBLZNHFDIEQRB-UHFFFAOYSA-N 1 0 200.245 1.671 10 0 BDAERO C[NH2+]Cc1ccccc1-n1ccnc1C ZINC000034825312 188099443 /nfs/dbraw/zinc/09/94/43/188099443.db2.gz FFLWMVOPUPEDNV-UHFFFAOYSA-N 1 0 201.273 1.900 10 0 BDAERO CC(C)(C)[C@H]([NH3+])c1nnc2cnccn21 ZINC000035452294 188103371 /nfs/dbraw/zinc/10/33/71/188103371.db2.gz XJEXHOZGMJSGCY-MRVPVSSYSA-N 1 0 205.265 1.170 10 0 BDAERO COc1ccc(Cc2nnc(CC[NH3+])o2)cc1 ZINC000011585797 188104317 /nfs/dbraw/zinc/10/43/17/188104317.db2.gz DKCALOWJVYTSTG-UHFFFAOYSA-N 1 0 233.271 1.170 10 0 BDAERO CCOc1ccccc1NC(=O)C(C)(C)[NH3+] ZINC000019672595 188107806 /nfs/dbraw/zinc/10/78/06/188107806.db2.gz ORQHEQLIGMLJDD-UHFFFAOYSA-N 1 0 222.288 1.761 10 0 BDAERO Cc1cc(C)cc(C[NH2+][C@@H](C)C(N)=O)c1 ZINC000038076751 188109497 /nfs/dbraw/zinc/10/94/97/188109497.db2.gz KVUWWCPHJOYCLX-JTQLQIEISA-N 1 0 206.289 1.267 10 0 BDAERO Nc1ccnn1C1CC[NH+](C2CC2)CC1 ZINC000309010830 538110058 /nfs/dbraw/zinc/11/00/58/538110058.db2.gz WXTLOYZPDIBKRX-UHFFFAOYSA-N 1 0 206.293 1.265 10 0 BDAERO CC(=O)NCCCCc1cc(C)cc(N)[nH+]1 ZINC000033992576 188111120 /nfs/dbraw/zinc/11/11/20/188111120.db2.gz FEXXMCDOAAMAEM-UHFFFAOYSA-N 1 0 221.304 1.431 10 0 BDAERO COc1ccc(F)cc1C(=O)[C@@H]1CCC[NH2+]1 ZINC000036161275 188112086 /nfs/dbraw/zinc/11/20/86/188112086.db2.gz FZQHGURLEIWUOA-JTQLQIEISA-N 1 0 223.247 1.769 10 0 BDAERO CC[C@@H]1CN(Cc2cccc(C[NH3+])c2)CCO1 ZINC000036769206 188112368 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LGOPLGZZDOCMIU-CYBMUJFWSA-N 1 0 240.322 1.528 10 0 BDAERO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089151176 188144181 /nfs/dbraw/zinc/14/41/81/188144181.db2.gz DQVKSYHLCJBWSO-TZMCWYRMSA-N 1 0 235.327 1.946 10 0 BDAERO C[NH+](C)CCOc1cc(Br)ccn1 ZINC000091362101 188145273 /nfs/dbraw/zinc/14/52/73/188145273.db2.gz BALXFCSLYKCGAG-UHFFFAOYSA-N 1 0 245.120 1.785 10 0 BDAERO CC(C)C[C@H](C[NH3+])NC(=O)C1[C@@H]2CCC[C@H]12 ZINC000132743117 188145483 /nfs/dbraw/zinc/14/54/83/188145483.db2.gz NTGIWKFXYZBGST-YIBTVLSRSA-N 1 0 224.348 1.522 10 0 BDAERO CC(C)N([C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095088062 188145557 /nfs/dbraw/zinc/14/55/57/188145557.db2.gz WGRAMKKNGZWBDT-MRVPVSSYSA-N 1 0 210.243 1.969 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1OCCn1cccn1 ZINC000049313523 188125106 /nfs/dbraw/zinc/12/51/06/188125106.db2.gz MQFIVZHAMLNIGT-LLVKDONJSA-N 1 0 231.299 1.982 10 0 BDAERO C[NH2+][C@@H]1CCN(Cc2cccc(F)c2)C1=O ZINC000049647985 188125454 /nfs/dbraw/zinc/12/54/54/188125454.db2.gz XSAYTXCJWMBRNM-LLVKDONJSA-N 1 0 222.263 1.146 10 0 BDAERO C[NH2+][C@@H]1CCN(CCc2ccccc2F)C1=O ZINC000049647547 188125537 /nfs/dbraw/zinc/12/55/37/188125537.db2.gz UNUQDLKXQGROHS-GFCCVEGCSA-N 1 0 236.290 1.189 10 0 BDAERO CC(C)C[C@@H](CO)[NH2+]CC1CCOCC1 ZINC000052172317 188126315 /nfs/dbraw/zinc/12/63/15/188126315.db2.gz JGDWRQWAYBJPCK-LBPRGKRZSA-N 1 0 215.337 1.410 10 0 BDAERO CC1CCN(c2ncc(C[NH3+])s2)CC1 ZINC000054864113 188126540 /nfs/dbraw/zinc/12/65/40/188126540.db2.gz ZPRUWYJCUSTDAE-UHFFFAOYSA-N 1 0 211.334 1.838 10 0 BDAERO CC(C)[N@H+](C)CCNC(=O)c1ccc(O)cc1 ZINC000054134708 188126924 /nfs/dbraw/zinc/12/69/24/188126924.db2.gz HYFRNHZEVKNXNR-UHFFFAOYSA-N 1 0 236.315 1.462 10 0 BDAERO CC(C)Cn1cnnc1CC[C@@H]1CCC[NH2+]C1 ZINC000054526300 188127339 /nfs/dbraw/zinc/12/73/39/188127339.db2.gz HMYATDSRSYBNQR-LBPRGKRZSA-N 1 0 236.363 1.866 10 0 BDAERO Cc1nccc(N(C)Cc2ccc(C[NH3+])cc2)n1 ZINC000054935447 188127406 /nfs/dbraw/zinc/12/74/06/188127406.db2.gz SVEXIUUARVNUDK-UHFFFAOYSA-N 1 0 242.326 1.880 10 0 BDAERO CC(C)([NH3+])Cn1cccc(Br)c1=O ZINC000057835193 188127621 /nfs/dbraw/zinc/12/76/21/188127621.db2.gz PQXNRAKPDBCMNR-UHFFFAOYSA-N 1 0 245.120 1.348 10 0 BDAERO CCCNc1ccc(C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000061711604 188128199 /nfs/dbraw/zinc/12/81/99/188128199.db2.gz ZVRLPOPGOJUOSS-GFCCVEGCSA-N 1 0 235.331 1.470 10 0 BDAERO CC[C@H]1CN([C@]2(C[NH3+])CCCSC2)CCO1 ZINC000061590046 188128232 /nfs/dbraw/zinc/12/82/32/188128232.db2.gz RWSSZYKCAYSREB-RYUDHWBXSA-N 1 0 244.404 1.322 10 0 BDAERO Cc1cc(=O)[nH]c(-c2cccc(C[NH3+])c2)n1 ZINC000091692390 188145667 /nfs/dbraw/zinc/14/56/67/188145667.db2.gz SUKWRNKLKOYGSF-UHFFFAOYSA-N 1 0 215.256 1.204 10 0 BDAERO CC(C)(C)c1cc(=O)[nH]c(C2CC[NH2+]CC2)n1 ZINC000071396373 188130575 /nfs/dbraw/zinc/13/05/75/188130575.db2.gz NCTJIQQWHKEYKO-UHFFFAOYSA-N 1 0 235.331 1.534 10 0 BDAERO CC(C)C[C@H](CC[NH3+])C(=O)NC(C)C ZINC000076582775 188134251 /nfs/dbraw/zinc/13/42/51/188134251.db2.gz CMLYYAQMBPCDEW-JTQLQIEISA-N 1 0 200.326 1.522 10 0 BDAERO CC(C)[C@H](C[NH3+])CC(=O)NCc1cccnc1 ZINC000076618182 188134703 /nfs/dbraw/zinc/13/47/03/188134703.db2.gz FGFGUUDQCCDNAR-LBPRGKRZSA-N 1 0 235.331 1.319 10 0 BDAERO COc1cc(C)cc(C)c1CCN(C)CC[NH3+] ZINC000077373199 188136483 /nfs/dbraw/zinc/13/64/83/188136483.db2.gz VHFXWRZXNXGANV-UHFFFAOYSA-N 1 0 236.359 1.745 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccnc1 ZINC000077730545 188136552 /nfs/dbraw/zinc/13/65/52/188136552.db2.gz DJLBQGDHKSQXHK-CYBMUJFWSA-N 1 0 249.358 1.788 10 0 BDAERO Cc1ccc(F)c(N2CC[C@@H]([NH3+])C2=O)c1 ZINC000049647972 188153382 /nfs/dbraw/zinc/15/33/82/188153382.db2.gz QDHXVYVSQSGPPA-SECBINFHSA-N 1 0 208.236 1.198 10 0 BDAERO COc1ccc([C@@]2(C)C[C@@H]2[NH3+])c(OC)c1 ZINC000052126404 188157885 /nfs/dbraw/zinc/15/78/85/188157885.db2.gz QXFPBWXQBCMCNL-NWDGAFQWSA-N 1 0 207.273 1.693 10 0 BDAERO CC1(C)CC[C@H]1[NH2+][C@@H]1CCCn2ncnc21 ZINC000335602585 188161264 /nfs/dbraw/zinc/16/12/64/188161264.db2.gz MXIFBJPMCQFNSA-NXEZZACHSA-N 1 0 220.320 1.891 10 0 BDAERO CC(=O)CCN1CCC([NH+]2CCCC2)CC1 ZINC000108864927 188161386 /nfs/dbraw/zinc/16/13/86/188161386.db2.gz IVHGIJRWWDCGSN-UHFFFAOYSA-N 1 0 224.348 1.526 10 0 BDAERO CC(C)=CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000308871030 188165408 /nfs/dbraw/zinc/16/54/08/188165408.db2.gz YYPRPFAOBXUPMN-QWRGUYRKSA-N 1 0 208.305 1.163 10 0 BDAERO C1=[NH+]CC2(CC3(C2)Cc2ccccc2C3)N1 ZINC000013862141 188165778 /nfs/dbraw/zinc/16/57/78/188165778.db2.gz ZVERSYQRLZHFIY-UHFFFAOYSA-N 1 0 212.296 1.936 10 0 BDAERO C([NH2+][C@H]1CCOC1)[C@H]1CC12CCOCC2 ZINC000308979289 188165881 /nfs/dbraw/zinc/16/58/81/188165881.db2.gz HOHVKEARTFCPFA-MNOVXSKESA-N 1 0 211.305 1.182 10 0 BDAERO C[C@H](CC(N)=O)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000309454026 188168504 /nfs/dbraw/zinc/16/85/04/188168504.db2.gz NENAEOILSIPVCG-UTLUCORTSA-N 1 0 228.336 1.044 10 0 BDAERO CC[C@H]1CCC(=O)[C@@H](C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000053929757 188171588 /nfs/dbraw/zinc/17/15/88/188171588.db2.gz ZEJUDCXGSKGQCL-YNEHKIRRSA-N 1 0 239.359 1.839 10 0 BDAERO Nc1cccc([C@H](O)C[NH+]2CCCC2)c1 ZINC000019731496 188173537 /nfs/dbraw/zinc/17/35/37/188173537.db2.gz ISRHZIQSHIBAPN-GFCCVEGCSA-N 1 0 206.289 1.398 10 0 BDAERO COc1cc(Br)cc(C[NH3+])n1 ZINC000095761413 188147133 /nfs/dbraw/zinc/14/71/33/188147133.db2.gz SKIWLABJNVYDLL-UHFFFAOYSA-N 1 0 217.066 1.311 10 0 BDAERO CC(C)c1ccnc(C(C)(C)N2CC[NH2+]CC2)n1 ZINC000104062727 188150207 /nfs/dbraw/zinc/15/02/07/188150207.db2.gz VRTSEHBHKZMFPI-UHFFFAOYSA-N 1 0 248.374 1.740 10 0 BDAERO C=Cn1cc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)cn1 ZINC000193651880 188174832 /nfs/dbraw/zinc/17/48/32/188174832.db2.gz UHACMJFFRYJVET-GFCCVEGCSA-N 1 0 249.314 1.369 10 0 BDAERO CC(=O)N(CCC[NH3+])c1cccc(C)c1 ZINC000020232593 188176287 /nfs/dbraw/zinc/17/62/87/188176287.db2.gz HCSXWZPNJHTSJP-UHFFFAOYSA-N 1 0 206.289 1.697 10 0 BDAERO C1CC[C@@H]2[C@@H](C1)OCCN2[C@@H]1CCCC[NH2+]C1 ZINC000054135440 188176705 /nfs/dbraw/zinc/17/67/05/188176705.db2.gz UUJIDHVTWPWIEF-MGPQQGTHSA-N 1 0 238.375 1.772 10 0 BDAERO CC(C)(C)c1ccc([C@H]([NH3+])CC(N)=O)cc1 ZINC000020578200 188178599 /nfs/dbraw/zinc/17/85/99/188178599.db2.gz OCEJJQYDMSTYNX-LLVKDONJSA-N 1 0 220.316 1.859 10 0 BDAERO FC(F)Oc1ccc([C@H]2CC[NH2+]C2)nc1 ZINC000299805651 180906864 /nfs/dbraw/zinc/90/68/64/180906864.db2.gz ZMOFTUQCTBYYTH-ZETCQYMHSA-N 1 0 214.215 1.760 10 0 BDAERO CC(=O)O[C@@H]1[C@H]([NH3+])C[C@@H]1Cc1ccccc1 ZINC000021988241 188179663 /nfs/dbraw/zinc/17/96/63/188179663.db2.gz UELBBLQMUXJLMH-XQQFMLRXSA-N 1 0 219.284 1.508 10 0 BDAERO C[C@H]1C[NH2+]Cc2cc3c(cc21)OCCO3 ZINC000057492922 188179747 /nfs/dbraw/zinc/17/97/47/188179747.db2.gz HYBJDDHTPMVWMC-QMMMGPOBSA-N 1 0 205.257 1.665 10 0 BDAERO C1=C[C@@H]2[C@@H](C[C@@H]2[NH2+]C[C@@H]2CCCOC2)C1 ZINC000216508857 188179792 /nfs/dbraw/zinc/17/97/92/188179792.db2.gz WFWNSJHLLMAGGJ-LOWDOPEQSA-N 1 0 207.317 1.967 10 0 BDAERO C1COCC2([NH2+]1)C1CC3CC(C1)CC2C3 ZINC000026988624 188180241 /nfs/dbraw/zinc/18/02/41/188180241.db2.gz SNKHALQZQJVDBS-UHFFFAOYSA-N 1 0 207.317 1.801 10 0 BDAERO CC(C)[C@H](O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000336684258 188182561 /nfs/dbraw/zinc/18/25/61/188182561.db2.gz JMSYQXBOMBVMMJ-GARJFASQSA-N 1 0 201.310 1.113 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1nccs1 ZINC000084223483 538113682 /nfs/dbraw/zinc/11/36/82/538113682.db2.gz RQBARPUEIZXNGH-RKDXNWHRSA-N 1 0 212.318 1.394 10 0 BDAERO [NH3+]CC[C@@H](O)c1c(F)cccc1Br ZINC000165068341 538113805 /nfs/dbraw/zinc/11/38/05/538113805.db2.gz ONCRWLVNHSOTFS-MRVPVSSYSA-N 1 0 248.095 1.970 10 0 BDAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN ZINC000165683421 188223107 /nfs/dbraw/zinc/22/31/07/188223107.db2.gz YDEQACKNZCWPPY-VWYCJHECSA-N 1 0 213.321 1.949 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H](O)[C@@H]1CC[NH3+] ZINC000096985389 188223804 /nfs/dbraw/zinc/22/38/04/188223804.db2.gz AEJJLEALNBGSRU-VHSXEESVSA-N 1 0 244.335 1.096 10 0 BDAERO CCOCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661829 353303847 /nfs/dbraw/zinc/30/38/47/353303847.db2.gz PXRRTYYBZMHSKX-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000308521701 180936080 /nfs/dbraw/zinc/93/60/80/180936080.db2.gz TUNOOZXBJRRDLI-AXFHLTTASA-N 1 0 201.285 1.893 10 0 BDAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000309550310 180937518 /nfs/dbraw/zinc/93/75/18/180937518.db2.gz FRRNECSWMOZEMG-QJPTWQEYSA-N 1 0 231.311 1.520 10 0 BDAERO [NH3+]Cc1ncccc1N1CCSCC1 ZINC000129549780 353373785 /nfs/dbraw/zinc/37/37/85/353373785.db2.gz WBHHKXLJKCPQGE-UHFFFAOYSA-N 1 0 209.318 1.094 10 0 BDAERO CC/C=C/CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000184531898 535231293 /nfs/dbraw/zinc/23/12/93/535231293.db2.gz UUTXCTLLDXXACI-GFUIURDCSA-N 1 0 226.364 1.605 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000252217174 363221222 /nfs/dbraw/zinc/22/12/22/363221222.db2.gz ZMHTYHHCHFBUQV-MXWKQRLJSA-N 1 0 210.321 1.291 10 0 BDAERO Cc1nsc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000165733582 353586873 /nfs/dbraw/zinc/58/68/73/353586873.db2.gz VZFORALRDKKURT-PHDIDXHHSA-N 1 0 200.311 1.384 10 0 BDAERO C[C@H]([NH3+])CN1CCSC(C)(C)CC1 ZINC000231047944 353561122 /nfs/dbraw/zinc/56/11/22/353561122.db2.gz LRHNILOXQLJZLF-VIFPVBQESA-N 1 0 202.367 1.551 10 0 BDAERO CC[N@H+](C(C)C)[C@@H]1CC2(CC[C@H]1O)OCCO2 ZINC000252429987 363243705 /nfs/dbraw/zinc/24/37/05/363243705.db2.gz OJCPFZWEKZLKOG-VXGBXAGGSA-N 1 0 243.347 1.373 10 0 BDAERO [NH3+]C1CC(CNC(=O)NCc2ccccc2)C1 ZINC000232308185 353708268 /nfs/dbraw/zinc/70/82/68/353708268.db2.gz XTESLZZZSMYPDO-UHFFFAOYSA-N 1 0 233.315 1.223 10 0 BDAERO CC(C)OCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000165804363 353711414 /nfs/dbraw/zinc/71/14/14/353711414.db2.gz FLYWYNGAYKNKFY-UHFFFAOYSA-N 1 0 248.326 1.696 10 0 BDAERO C[N@H+]([C@@H]1CCSC1)[C@H]1CCCC[C@H]1O ZINC000252438760 363249902 /nfs/dbraw/zinc/24/99/02/363249902.db2.gz GDKAYHLSYDIVBA-OUAUKWLOSA-N 1 0 215.362 1.727 10 0 BDAERO Fc1cccnc1OCC[C@H]1CCC[NH2+]C1 ZINC000054701258 181016750 /nfs/dbraw/zinc/01/67/50/181016750.db2.gz HKNHHARRNOCQOK-SNVBAGLBSA-N 1 0 224.279 1.989 10 0 BDAERO Fc1cnc(SC2CC[NH2+]CC2)nc1 ZINC000095072049 181018663 /nfs/dbraw/zinc/01/86/63/181018663.db2.gz GQWURCJXWNCOAM-UHFFFAOYSA-N 1 0 213.281 1.460 10 0 BDAERO CN1C(=O)N(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]21 ZINC000606303238 353858550 /nfs/dbraw/zinc/85/85/50/353858550.db2.gz NMSCRZDHTJGWDZ-CHWSQXEVSA-N 1 0 245.326 1.285 10 0 BDAERO CCOC(=O)[C@H]([NH3+])C1C[C@H](C)O[C@@H](C)C1 ZINC000606303585 353860075 /nfs/dbraw/zinc/86/00/75/353860075.db2.gz VPSBBCAIJKSZNF-OYNCUSHFSA-N 1 0 215.293 1.080 10 0 BDAERO CO[C@@H]1CN(Cc2ccns2)[C@](C)(C[NH3+])C1 ZINC000630079794 363288283 /nfs/dbraw/zinc/28/82/83/363288283.db2.gz ZSUWUZDRTMNNBV-ONGXEEELSA-N 1 0 241.360 1.081 10 0 BDAERO COC(C)(C)CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000230415749 363310611 /nfs/dbraw/zinc/31/06/11/363310611.db2.gz QFEXRCAUNQIDLO-NSHDSACASA-N 1 0 215.337 1.506 10 0 BDAERO COC(C)(C)[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000301029258 363344603 /nfs/dbraw/zinc/34/46/03/363344603.db2.gz UCSZHXHGPPJPCS-ZJUUUORDSA-N 1 0 200.326 1.223 10 0 BDAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)on1 ZINC000113227979 354267337 /nfs/dbraw/zinc/26/73/37/354267337.db2.gz WIFTYCDGMORZLN-WDEREUQCSA-N 1 0 249.314 1.292 10 0 BDAERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)on1 ZINC000113227977 354267402 /nfs/dbraw/zinc/26/74/02/354267402.db2.gz WIFTYCDGMORZLN-QWRGUYRKSA-N 1 0 249.314 1.292 10 0 BDAERO CCC(C)(C)CC[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344698080 354336352 /nfs/dbraw/zinc/33/63/52/354336352.db2.gz CSNNOCVQYFZYGF-VXGBXAGGSA-N 1 0 229.364 1.894 10 0 BDAERO CCOC(=O)C[N@H+](CC)C[C@H]1CCC[C@@H](O)C1 ZINC000383662238 354805573 /nfs/dbraw/zinc/80/55/73/354805573.db2.gz JRMQZMLVPFEXOI-NWDGAFQWSA-N 1 0 243.347 1.423 10 0 BDAERO CCOC[C@H]([NH2+]C1CC[NH2+]CC1)C(C)C ZINC000233770011 363406690 /nfs/dbraw/zinc/40/66/90/363406690.db2.gz WVTJKRHWVXOCIZ-LBPRGKRZSA-N 1 0 214.353 1.389 10 0 BDAERO Cc1ccoc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235326381 363440609 /nfs/dbraw/zinc/44/06/09/363440609.db2.gz IHLWUGZKYZENPF-BDAKNGLRSA-N 1 0 208.261 1.007 10 0 BDAERO C[C@H]1CC[C@H]([NH2+]CC2CC(O)C2)CS1 ZINC000623748504 354934221 /nfs/dbraw/zinc/93/42/21/354934221.db2.gz RBQFQTGYWSPAJG-XEAZBWPWSA-N 1 0 215.362 1.631 10 0 BDAERO C[C@@]1(c2ccccc2Cl)COC(=[NH2+])N1 ZINC000083964820 355122099 /nfs/dbraw/zinc/12/20/99/355122099.db2.gz DHXYGMYUXSOEGU-JTQLQIEISA-N 1 0 210.664 1.900 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCOC1CCC1 ZINC000346828609 355128824 /nfs/dbraw/zinc/12/88/24/355128824.db2.gz IMVHTXPVYSTBEL-LBPRGKRZSA-N 1 0 227.348 1.792 10 0 BDAERO CC(C)c1nccnc1NCC1CC[NH+](C)CC1 ZINC000413107801 191354682 /nfs/dbraw/zinc/35/46/82/191354682.db2.gz LAZPJWNAAWKUKR-UHFFFAOYSA-N 1 0 248.374 1.776 10 0 BDAERO [NH2+]=C(COc1cccc2c1CCCC2)NO ZINC000038817490 181184849 /nfs/dbraw/zinc/18/48/49/181184849.db2.gz MVMNBKBVCSBFHG-UHFFFAOYSA-N 1 0 220.272 1.900 10 0 BDAERO NC(=[NH2+])N(C(N)=S)c1ccc(Cl)cc1 ZINC000039124998 181188102 /nfs/dbraw/zinc/18/81/02/181188102.db2.gz IXTWENWBNRDFHO-UHFFFAOYSA-N 1 0 228.708 1.283 10 0 BDAERO NC(=[NH2+])N(C(N)=S)c1cccc(Cl)c1 ZINC000039125000 181188595 /nfs/dbraw/zinc/18/85/95/181188595.db2.gz DWURBJGBQJHLEM-UHFFFAOYSA-N 1 0 228.708 1.283 10 0 BDAERO NC(=[NH2+])c1ccc(Sc2nncs2)cc1 ZINC000019866511 181194946 /nfs/dbraw/zinc/19/49/46/181194946.db2.gz LYLLYNKZHBXPHG-UHFFFAOYSA-N 1 0 236.325 1.973 10 0 BDAERO NC(=[NH2+])c1ccc(Cc2c[nH]cn2)cc1 ZINC000026381212 181195052 /nfs/dbraw/zinc/19/50/52/181195052.db2.gz GOTTYTIDGPFOQO-UHFFFAOYSA-N 1 0 200.245 1.285 10 0 BDAERO NC(=[NH2+])c1ccc(CSc2nc[nH]n2)cc1 ZINC000019848036 181195266 /nfs/dbraw/zinc/19/52/66/181195266.db2.gz FMASQMKHFLHYGB-UHFFFAOYSA-N 1 0 233.300 1.381 10 0 BDAERO NC(=[NH2+])c1ccccc1COC[C@H]1CCCO1 ZINC000019485382 181196042 /nfs/dbraw/zinc/19/60/42/181196042.db2.gz OIDFCXNEIHCHBC-LLVKDONJSA-N 1 0 234.299 1.666 10 0 BDAERO [NH3+][C@@H](Cc1cncs1)c1cncnc1 ZINC000229834647 355486130 /nfs/dbraw/zinc/48/61/30/355486130.db2.gz JJQBRALARWYBLY-VIFPVBQESA-N 1 0 206.274 1.176 10 0 BDAERO NC(=[NH2+])c1ccccc1OCc1cccnc1 ZINC000019470843 181196269 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/nfs/dbraw/zinc/75/69/66/355756966.db2.gz APLXPELPSWKZLV-SGMGOOAPSA-N 1 0 239.359 1.839 10 0 BDAERO OCC1CC([NH2+]CCC2CCOCC2)C1 ZINC000639335158 355767680 /nfs/dbraw/zinc/76/76/80/355767680.db2.gz NECQKXHZBFMIAQ-UHFFFAOYSA-N 1 0 213.321 1.164 10 0 BDAERO NCc1nnc(C(F)(F)C(F)F)s1 ZINC000129662349 355824949 /nfs/dbraw/zinc/82/49/49/355824949.db2.gz GMMPJUJEKWBOON-UHFFFAOYSA-N 1 0 215.175 1.354 10 0 BDAERO NC(=O)C1CCC([NH2+]CCc2ccncc2)CC1 ZINC000038091863 181216290 /nfs/dbraw/zinc/21/62/90/181216290.db2.gz DVKXEISMFFTHDS-UHFFFAOYSA-N 1 0 247.342 1.258 10 0 BDAERO CC(C)([NH3+])C(C)(C)C(=O)c1cncnc1 ZINC000226390841 355855849 /nfs/dbraw/zinc/85/58/49/355855849.db2.gz RXVBUWOHOOOKIT-UHFFFAOYSA-N 1 0 207.277 1.423 10 0 BDAERO NC(=O)C1CC[NH+](C2CCSCC2)CC1 ZINC000058825715 181216546 /nfs/dbraw/zinc/21/65/46/181216546.db2.gz LNDXOVOPAJNMGA-UHFFFAOYSA-N 1 0 228.361 1.079 10 0 BDAERO C[C@H]1CC[C@@H]([NH+]2CCN(c3nccn3C)CC2)C1 ZINC000336033822 134058948 /nfs/dbraw/zinc/05/89/48/134058948.db2.gz MRRLCRTTZPOTEW-QWHCGFSZSA-N 1 0 248.374 1.731 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC000192397078 355983133 /nfs/dbraw/zinc/98/31/33/355983133.db2.gz VFFQIHOBNVELJI-QMMMGPOBSA-N 1 0 242.706 1.709 10 0 BDAERO NC(=O)CC[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000037483818 181226833 /nfs/dbraw/zinc/22/68/33/181226833.db2.gz JVQGRJXHORHTEQ-SECBINFHSA-N 1 0 212.680 1.605 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037423980 181241853 /nfs/dbraw/zinc/24/18/53/181241853.db2.gz YPNUFGGHEBENFM-MRVPVSSYSA-N 1 0 233.098 1.869 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCC1)c1ccc(O)cc1 ZINC000037968924 181265164 /nfs/dbraw/zinc/26/51/64/181265164.db2.gz JAGHCBNCPDMHAL-LBPRGKRZSA-N 1 0 234.299 1.451 10 0 BDAERO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CC1 ZINC000038000888 181265015 /nfs/dbraw/zinc/26/50/15/181265015.db2.gz SRRMTZWLTNOFGF-GFCCVEGCSA-N 1 0 218.300 1.083 10 0 BDAERO NC(=O)[C@]1([NH2+]C2CCCC2)CCc2ccccc21 ZINC000037968873 181285080 /nfs/dbraw/zinc/28/50/80/181285080.db2.gz WLKUIXADYZKXLI-HNNXBMFYSA-N 1 0 244.338 1.846 10 0 BDAERO NC(=O)c1c(Cl)cccc1O[C@@H]1CC[NH2+]C1 ZINC000052908550 181285516 /nfs/dbraw/zinc/28/55/16/181285516.db2.gz HOPLDPIKMNYIEW-SSDOTTSWSA-N 1 0 240.690 1.180 10 0 BDAERO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC1(O)CC1 ZINC000336170655 134114773 /nfs/dbraw/zinc/11/47/73/134114773.db2.gz VLURWTBVRMTDEK-QWHCGFSZSA-N 1 0 238.375 1.460 10 0 BDAERO C[C@H]1CCCN(C(=O)[C@H]2CCCO2)[C@H]1CC[NH3+] ZINC000404292887 491093699 /nfs/dbraw/zinc/09/36/99/491093699.db2.gz VVAPUNOPGPCJBB-SDDRHHMPSA-N 1 0 240.347 1.141 10 0 BDAERO CCC(F)(F)CN1C[C@H](OC)C[C@H]1CO ZINC000639634254 356548891 /nfs/dbraw/zinc/54/88/91/356548891.db2.gz JTGYUBTWJRVSGQ-DTWKUNHWSA-N 1 0 223.263 1.113 10 0 BDAERO CCCc1nccnc1N[C@@H]1CC[NH2+][C@H]1CC ZINC000630090836 363492319 /nfs/dbraw/zinc/49/23/19/363492319.db2.gz DJHTWBOBUCPIEY-WDEREUQCSA-N 1 0 234.347 1.403 10 0 BDAERO Cc1nccnc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000639676862 356585202 /nfs/dbraw/zinc/58/52/02/356585202.db2.gz ALLKJRMOIDVLRL-YNEHKIRRSA-N 1 0 247.342 1.378 10 0 BDAERO Cc1ccc([C@@H](C)N[C@@H](C)C2C[NH2+]C2)o1 ZINC000422968577 192530698 /nfs/dbraw/zinc/53/06/98/192530698.db2.gz XDMHLELQKSRASV-VHSXEESVSA-N 1 0 208.305 1.847 10 0 BDAERO [NH3+]C1(c2ccc(F)cc2Cl)CC(O)C1 ZINC000675058382 538481333 /nfs/dbraw/zinc/48/13/33/538481333.db2.gz CPNQCWRNZKZOBO-UHFFFAOYSA-N 1 0 215.655 1.788 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CC[NH2+][C@H]12 ZINC000675058433 538481400 /nfs/dbraw/zinc/48/14/00/538481400.db2.gz GEDZHUPGNTZCPE-AEJSXWLSSA-N 1 0 226.320 1.652 10 0 BDAERO CC(C)c1noc([C@H]2OCC[C@@H]2C[NH3+])n1 ZINC000675058366 538481716 /nfs/dbraw/zinc/48/17/16/538481716.db2.gz BRPQOKSEDZIZSU-SFYZADRCSA-N 1 0 211.265 1.229 10 0 BDAERO CC1CC[NH+](C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000675058930 538482536 /nfs/dbraw/zinc/48/25/36/538482536.db2.gz CHWBYXUPJZZLCA-NWDGAFQWSA-N 1 0 213.321 1.258 10 0 BDAERO CC[N@H+](CC(C)C)C[C@@H]1CC[C@H](CO)O1 ZINC000675058937 538482987 /nfs/dbraw/zinc/48/29/87/538482987.db2.gz CVDSVRJBULYBPR-NWDGAFQWSA-N 1 0 215.337 1.504 10 0 BDAERO CC(C)CNC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056434 538478412 /nfs/dbraw/zinc/47/84/12/538478412.db2.gz KCUWTXXJGAVXKT-QWRGUYRKSA-N 1 0 225.336 1.036 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675056991 538478893 /nfs/dbraw/zinc/47/88/93/538478893.db2.gz ZRHNFFPXAZPLTQ-OUCADQQQSA-N 1 0 238.375 1.927 10 0 BDAERO CCC[C@]1(C[NH3+])CN(C(=O)CC(C)C)CCO1 ZINC000675059862 538486209 /nfs/dbraw/zinc/48/62/09/538486209.db2.gz WPSCLRLIQCQFIP-ZDUSSCGKSA-N 1 0 242.363 1.389 10 0 BDAERO COc1cc2c(cc1F)C[C@@H]([C@H](C)[NH3+])CO2 ZINC000675063648 538490016 /nfs/dbraw/zinc/49/00/16/538490016.db2.gz JFYOXHONGSDFLA-IONNQARKSA-N 1 0 225.263 1.733 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1COc2cc(F)c(F)cc2C1 ZINC000675063452 538490170 /nfs/dbraw/zinc/49/01/70/538490170.db2.gz FICNJGSPKCVRBZ-SVRRBLITSA-N 1 0 213.227 1.863 10 0 BDAERO C[C@@H]1[NH2+]CCCn2cc(-c3cccnc3)nc21 ZINC000675069810 538498908 /nfs/dbraw/zinc/49/89/08/538498908.db2.gz YRNBYABLRBNYLK-JTQLQIEISA-N 1 0 228.299 1.999 10 0 BDAERO CC(C)[C@@](C)(O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000168039514 134155609 /nfs/dbraw/zinc/15/56/09/134155609.db2.gz INTZWGOWOHDSER-TUAOUCFPSA-N 1 0 213.321 1.257 10 0 BDAERO CC(C)NC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675070823 538500953 /nfs/dbraw/zinc/50/09/53/538500953.db2.gz SVBHSPLSSLNNTG-ZNSHCXBVSA-N 1 0 225.336 1.067 10 0 BDAERO CCCNC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675070659 538501066 /nfs/dbraw/zinc/50/10/66/538501066.db2.gz REYPNDMLKDJSSM-UKKRHICBSA-N 1 0 225.336 1.069 10 0 BDAERO COC(=O)[C@H](C[NH3+])[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000675072243 538502462 /nfs/dbraw/zinc/50/24/62/538502462.db2.gz AIEXRAHPUSSBPU-VPOLOUISSA-N 1 0 213.321 1.807 10 0 BDAERO CCCNC(=O)Nc1nc(C[NH3+])cs1 ZINC000675072330 538502912 /nfs/dbraw/zinc/50/29/12/538502912.db2.gz BJSUWKWVZGFIGD-UHFFFAOYSA-N 1 0 214.294 1.133 10 0 BDAERO c1nn2cccnc2c1C1=CCC[NH2+]C1 ZINC000675073201 538504928 /nfs/dbraw/zinc/50/49/28/538504928.db2.gz UQMQSSAYNXVQPX-UHFFFAOYSA-N 1 0 200.245 1.106 10 0 BDAERO CC(C)[C@@H](C)C(=O)Nc1nc(C[NH3+])cs1 ZINC000675073588 538505758 /nfs/dbraw/zinc/50/57/58/538505758.db2.gz QNHXQPSXXHOCGD-SSDOTTSWSA-N 1 0 227.333 1.832 10 0 BDAERO CC(C)CC(=O)Nc1nc(C[NH3+])cs1 ZINC000675074036 538507054 /nfs/dbraw/zinc/50/70/54/538507054.db2.gz WQADXIRNXYTDGQ-UHFFFAOYSA-N 1 0 213.306 1.586 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000675074970 538507784 /nfs/dbraw/zinc/50/77/84/538507784.db2.gz DVZLMNXSHDIIQC-GARJFASQSA-N 1 0 227.352 1.458 10 0 BDAERO CC[C@H](C)C[NH2+]C[C@@H]1CCCCNC1=O ZINC000675075654 538509515 /nfs/dbraw/zinc/50/95/15/538509515.db2.gz SYICYSONUNSCNK-QWRGUYRKSA-N 1 0 212.337 1.538 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]2C[C@@H](NC(=O)CC3CC3)[C@@H]2C1 ZINC000675068964 538497648 /nfs/dbraw/zinc/49/76/48/538497648.db2.gz FSAZUHGSQFEXGY-DDHJBXDOSA-N 1 0 222.332 1.276 10 0 BDAERO CC(C)CC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675068950 538497865 /nfs/dbraw/zinc/49/78/65/538497865.db2.gz FOGROHQZPPTVBC-JQWIXIFHSA-N 1 0 210.321 1.372 10 0 BDAERO [NH3+]CC[C@H](O)c1cc(Br)ccc1F ZINC000083557727 538514226 /nfs/dbraw/zinc/51/42/26/538514226.db2.gz AWODCMRFUXKCBK-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO Cc1ccc(C2=C[C@@H](N)C[NH2+]C2)cc1C ZINC000675078010 538514632 /nfs/dbraw/zinc/51/46/32/538514632.db2.gz LXAQDIDSEHGVPB-CYBMUJFWSA-N 1 0 202.301 1.617 10 0 BDAERO O[C@H]1C=C(c2ccc(Cl)cc2F)C[NH2+]C1 ZINC000675077872 538514818 /nfs/dbraw/zinc/51/48/18/538514818.db2.gz SOFDUFGBEXNCQK-VIFPVBQESA-N 1 0 227.666 1.827 10 0 BDAERO Cc1ccc(C2=C[C@@H](O)C[NH2+]C2)c(F)c1 ZINC000675078408 538515175 /nfs/dbraw/zinc/51/51/75/538515175.db2.gz YCAIDZRDDKFSBR-SNVBAGLBSA-N 1 0 207.248 1.482 10 0 BDAERO O[C@H]1C=C(CCc2cccs2)C[NH2+]C1 ZINC000675077999 538515276 /nfs/dbraw/zinc/51/52/76/538515276.db2.gz UNOZJKQUHYOCGQ-JTQLQIEISA-N 1 0 209.314 1.571 10 0 BDAERO CSc1cccc(C2=C[C@@H](O)C[NH2+]C2)c1 ZINC000675078609 538516459 /nfs/dbraw/zinc/51/64/59/538516459.db2.gz ZPZREDHODLAINL-LLVKDONJSA-N 1 0 221.325 1.756 10 0 BDAERO O[C@H]1C=C(c2c(F)cccc2F)C[NH2+]C1 ZINC000675078612 538516546 /nfs/dbraw/zinc/51/65/46/538516546.db2.gz ZQIXMQKZDPBKHG-QMMMGPOBSA-N 1 0 211.211 1.312 10 0 BDAERO N[C@@H]1C=C(Cc2ccccc2Cl)C[NH2+]C1 ZINC000675079043 538517538 /nfs/dbraw/zinc/51/75/38/538517538.db2.gz VFYJUQCDHYZXAW-LLVKDONJSA-N 1 0 222.719 1.739 10 0 BDAERO N[C@H]1C=C(CC[C@H]2CCCCO2)C[NH2+]C1 ZINC000675079125 538517546 /nfs/dbraw/zinc/51/75/46/538517546.db2.gz WQKRILCXZDSKIG-NWDGAFQWSA-N 1 0 210.321 1.193 10 0 BDAERO C[C@H]([NH3+])CCNc1nnc(C(F)(F)F)s1 ZINC000168094050 134156259 /nfs/dbraw/zinc/15/62/59/134156259.db2.gz JSLODESXHQUVTL-BYPYZUCNSA-N 1 0 240.254 1.706 10 0 BDAERO CC[NH+](CC)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675080230 538519586 /nfs/dbraw/zinc/51/95/86/538519586.db2.gz PMEHVAACLHMYFC-QWRGUYRKSA-N 1 0 212.337 1.225 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2nccnc2C)C1 ZINC000389501825 356695207 /nfs/dbraw/zinc/69/52/07/356695207.db2.gz CHGFBMLZNIYUHV-NWDGAFQWSA-N 1 0 234.347 1.530 10 0 BDAERO C[C@H]1C[C@H](C2=C[C@@H](O)C[NH2+]C2)C[C@@H](C)C1 ZINC000675077249 538512545 /nfs/dbraw/zinc/51/25/45/538512545.db2.gz KFTUWTXLKQAZQH-MPPDQPJWSA-N 1 0 209.333 1.949 10 0 BDAERO O[C@@H]1C=C(c2cc(F)ccc2F)C[NH2+]C1 ZINC000675077511 538512864 /nfs/dbraw/zinc/51/28/64/538512864.db2.gz NNYLUDHJAGRVLY-SECBINFHSA-N 1 0 211.211 1.312 10 0 BDAERO [NH3+][C@@H]1CCC(=O)N(c2ccc(F)cc2)C1 ZINC000083987005 538525901 /nfs/dbraw/zinc/52/59/01/538525901.db2.gz ZMADWONGNKYIIV-SECBINFHSA-N 1 0 208.236 1.280 10 0 BDAERO CCCCNC(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000129809213 538579385 /nfs/dbraw/zinc/57/93/85/538579385.db2.gz XMSVVQWVCACROK-GHMZBOCLSA-N 1 0 227.352 1.331 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)C(C)(C)C ZINC000129800225 538579402 /nfs/dbraw/zinc/57/94/02/538579402.db2.gz XIKVBJSDNIENRH-VHSXEESVSA-N 1 0 212.337 1.394 10 0 BDAERO Cc1ccsc1C[NH2+][C@H](C(N)=O)C(C)C ZINC000223955185 538594161 /nfs/dbraw/zinc/59/41/61/538594161.db2.gz AWZYIWNALFDDJV-JTQLQIEISA-N 1 0 226.345 1.656 10 0 BDAERO CC[C@](C)(C[NH3+])[C@@H](O)[C@@H]1CCSC1 ZINC000224722384 538599411 /nfs/dbraw/zinc/59/94/11/538599411.db2.gz WXGRCCJHEJLCSS-KXUCPTDWSA-N 1 0 203.351 1.475 10 0 BDAERO CC(C)C[C@@H]([NH3+])[C@@H](O)C(=O)OC(C)(C)C ZINC000138852554 538728319 /nfs/dbraw/zinc/72/83/19/538728319.db2.gz QQTDLBZDUYMEBT-RKDXNWHRSA-N 1 0 217.309 1.062 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2cncs2)C1 ZINC000389526996 356948735 /nfs/dbraw/zinc/94/87/35/356948735.db2.gz HVGXZCCLHVSSGF-VHSXEESVSA-N 1 0 225.361 1.888 10 0 BDAERO CCOc1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)ncn1 ZINC000389729866 357021793 /nfs/dbraw/zinc/02/17/93/357021793.db2.gz OOJWETBTMVFEJM-VHSXEESVSA-N 1 0 236.319 1.285 10 0 BDAERO Cc1cnc(N[C@H]2C[NH2+]CC[C@@H]2C)nc1C ZINC000389747503 357022933 /nfs/dbraw/zinc/02/29/33/357022933.db2.gz HWWAFSNKIKOSEM-KWQFWETISA-N 1 0 220.320 1.503 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2NC)C1 ZINC000389626855 357005708 /nfs/dbraw/zinc/00/57/08/357005708.db2.gz GRXXBHNFBIECDV-NSHDSACASA-N 1 0 247.342 1.552 10 0 BDAERO CC(C)n1nc(C[NH3+])cc1C(F)(F)F ZINC000257929723 538770826 /nfs/dbraw/zinc/77/08/26/538770826.db2.gz ZNFTVVHKMJAFBQ-UHFFFAOYSA-N 1 0 207.199 1.942 10 0 BDAERO C[C@@H](CCOCc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000389974093 357076446 /nfs/dbraw/zinc/07/64/46/357076446.db2.gz ZURLYTDYHMNAQQ-ZFWWWQNUSA-N 1 0 248.370 1.933 10 0 BDAERO C[C@@H](CCOCc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000389974090 357076535 /nfs/dbraw/zinc/07/65/35/357076535.db2.gz ZURLYTDYHMNAQQ-DZGCQCFKSA-N 1 0 248.370 1.933 10 0 BDAERO CNC(=O)[C@H]([NH3+])Cc1coc2ccccc12 ZINC000259148778 538808168 /nfs/dbraw/zinc/80/81/68/538808168.db2.gz UMDYMSCPULFHNP-SNVBAGLBSA-N 1 0 218.256 1.049 10 0 BDAERO [NH3+][C@@H]1C[C@@H]1c1ccc(Br)cn1 ZINC000130025285 357155759 /nfs/dbraw/zinc/15/57/59/357155759.db2.gz CKVMIGWMMNHTJR-NKWVEPMBSA-N 1 0 213.078 1.659 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000193463898 357118311 /nfs/dbraw/zinc/11/83/11/357118311.db2.gz KDMIPZFMDVLLRD-OLZOCXBDSA-N 1 0 226.364 1.485 10 0 BDAERO CCC[C@@H](C)C(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157192823 538813456 /nfs/dbraw/zinc/81/34/56/538813456.db2.gz KGIZCYDWOASNKJ-PWSUYJOCSA-N 1 0 212.337 1.681 10 0 BDAERO C[N@@H+]1CCSC[C@H]1[C@H](O)C(C)(C)C ZINC000300052370 357180716 /nfs/dbraw/zinc/18/07/16/357180716.db2.gz GPQVLTUAOFTVLZ-IUCAKERBSA-N 1 0 203.351 1.441 10 0 BDAERO CC(C)(C)C[C@@H](CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000393527184 357286406 /nfs/dbraw/zinc/28/64/06/357286406.db2.gz TXLQRLARMPWSQT-WDEREUQCSA-N 1 0 231.380 1.780 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CSC1(C)C ZINC000393850824 357303224 /nfs/dbraw/zinc/30/32/24/357303224.db2.gz WXROGQSUJVSVRH-MNOVXSKESA-N 1 0 247.404 1.648 10 0 BDAERO COCCC(C)(C)C[NH2+]Cc1cnn(C)c1C ZINC000230862923 357574795 /nfs/dbraw/zinc/57/47/95/357574795.db2.gz IJIBREHMMVTRIP-UHFFFAOYSA-N 1 0 239.363 1.881 10 0 BDAERO C[C@H]([NH3+])CCNc1ccc(Br)cn1 ZINC000063171790 357552575 /nfs/dbraw/zinc/55/25/75/357552575.db2.gz XZWYFPOTWATDFC-ZETCQYMHSA-N 1 0 244.136 1.993 10 0 BDAERO C[C@H]1CC[C@H](C[N@@H+]2CCCN(C3CC3)CC2)O1 ZINC000188551431 357561891 /nfs/dbraw/zinc/56/18/91/357561891.db2.gz DCFLBWKTORTUPF-GXTWGEPZSA-N 1 0 238.375 1.724 10 0 BDAERO Cc1csc([C@@H](O)C(C)(C)C[NH3+])n1 ZINC000159700954 538878805 /nfs/dbraw/zinc/87/88/05/538878805.db2.gz ZIOUGBPCIPUSOJ-SSDOTTSWSA-N 1 0 200.307 1.470 10 0 BDAERO CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000685945839 538886958 /nfs/dbraw/zinc/88/69/58/538886958.db2.gz CJOWFUVAMVAAIW-SFYZADRCSA-N 1 0 238.253 1.525 10 0 BDAERO CCC(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000685945840 538886983 /nfs/dbraw/zinc/88/69/83/538886983.db2.gz CJOWFUVAMVAAIW-YUMQZZPRSA-N 1 0 238.253 1.525 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CCCO)O1 ZINC000232030932 357648029 /nfs/dbraw/zinc/64/80/29/357648029.db2.gz ZJZIKNFAXYUDJJ-JHJVBQTASA-N 1 0 227.348 1.791 10 0 BDAERO CCOc1cccc([C@@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685945830 538887287 /nfs/dbraw/zinc/88/72/87/538887287.db2.gz CBBCLEOSLJQGFU-STQMWFEESA-N 1 0 220.316 1.490 10 0 BDAERO O=C(NC[C@@]12CC[C@@H]1CC[NH2+]2)C1CCC1 ZINC000685946035 538887643 /nfs/dbraw/zinc/88/76/43/538887643.db2.gz CBVUJEMWFXLSKJ-PWSUYJOCSA-N 1 0 208.305 1.045 10 0 BDAERO CC(C)CNC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000685947276 538888997 /nfs/dbraw/zinc/88/89/97/538888997.db2.gz LJTOCOWERABROQ-LLVKDONJSA-N 1 0 227.352 1.331 10 0 BDAERO CCCC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000685947685 538889523 /nfs/dbraw/zinc/88/95/23/538889523.db2.gz YMQITWPUNOJXOT-LLVKDONJSA-N 1 0 224.348 1.825 10 0 BDAERO CC(C)CNC(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000685947781 538889533 /nfs/dbraw/zinc/88/95/33/538889533.db2.gz QTJAJLNRMGWCLD-LLVKDONJSA-N 1 0 227.352 1.413 10 0 BDAERO CCCCS(=O)(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947740 538889600 /nfs/dbraw/zinc/88/96/00/538889600.db2.gz OUBFAOIKLGYRPZ-UHFFFAOYSA-N 1 0 248.392 1.366 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000685947978 538889630 /nfs/dbraw/zinc/88/96/30/538889630.db2.gz VTURGKFPTRLGJQ-PWSUYJOCSA-N 1 0 212.337 1.762 10 0 BDAERO CC1(C(=O)NC[C@]23CC[C@@H]2CC[NH2+]3)CC1 ZINC000685947719 538889729 /nfs/dbraw/zinc/88/97/29/538889729.db2.gz YZKOWQMNMIQZMT-BXKDBHETSA-N 1 0 208.305 1.045 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000685947797 538889772 /nfs/dbraw/zinc/88/97/72/538889772.db2.gz PZNULJODEAFXRE-JQWIXIFHSA-N 1 0 227.352 1.554 10 0 BDAERO OC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]3CC[C@@H]32)C1 ZINC000685948231 538889989 /nfs/dbraw/zinc/88/99/89/538889989.db2.gz BRDDJFDFZGRONW-MROQNXINSA-N 1 0 209.333 1.879 10 0 BDAERO CC(C)C1CCC(N)(C2=[NH+]CCN2)CC1 ZINC000685948101 538890264 /nfs/dbraw/zinc/89/02/64/538890264.db2.gz XTKWCODEPJKPGU-UHFFFAOYSA-N 1 0 209.337 1.532 10 0 BDAERO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N)cc1 ZINC000685948589 538890854 /nfs/dbraw/zinc/89/08/54/538890854.db2.gz QRAFEXXOVXNDQE-STQMWFEESA-N 1 0 220.316 1.490 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000685949285 538892325 /nfs/dbraw/zinc/89/23/25/538892325.db2.gz OCJBEUMEAQHTPQ-GXFFZTMASA-N 1 0 224.348 1.905 10 0 BDAERO CCOC(=O)C12CCC(OC)(CC1)C[C@H]2[NH3+] ZINC000685949656 538892810 /nfs/dbraw/zinc/89/28/10/538892810.db2.gz AISFEECAICWMKQ-OIKLOGQESA-N 1 0 227.304 1.226 10 0 BDAERO O=C(OCC1CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000190871889 357729263 /nfs/dbraw/zinc/72/92/63/357729263.db2.gz LUERPQMIPIMRDG-NSHDSACASA-N 1 0 224.304 1.313 10 0 BDAERO CCN(CC)CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000233459228 357724895 /nfs/dbraw/zinc/72/48/95/357724895.db2.gz KJEQXMYJMCKPEP-OLZOCXBDSA-N 1 0 226.364 1.485 10 0 BDAERO Cn1cccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000050596109 357808038 /nfs/dbraw/zinc/80/80/38/357808038.db2.gz JXTXNJZYFRWRHN-LBPRGKRZSA-N 1 0 208.305 1.684 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncccn1 ZINC000192119152 357823034 /nfs/dbraw/zinc/82/30/34/357823034.db2.gz RGJIULBKFLWLHO-QWHCGFSZSA-N 1 0 246.358 1.535 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@@H](Oc2cccnc2)C1 ZINC000191555267 357785241 /nfs/dbraw/zinc/78/52/41/357785241.db2.gz RAYYCRXXBZPAJR-CQSZACIVSA-N 1 0 249.358 1.533 10 0 BDAERO Cc1c[nH+]ccc1N1CCCN(C)C(=O)C1 ZINC000192870774 357856544 /nfs/dbraw/zinc/85/65/44/357856544.db2.gz CHQVGDVOAGXHHC-UHFFFAOYSA-N 1 0 219.288 1.059 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CC1 ZINC000087478868 491116156 /nfs/dbraw/zinc/11/61/56/491116156.db2.gz LSEWZLSZNAADRB-SRVKXCTJSA-N 1 0 213.321 1.305 10 0 BDAERO C[C@@H]1CN(CCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000235363707 357867923 /nfs/dbraw/zinc/86/79/23/357867923.db2.gz IMHSANBPQMKSOC-OCCSQVGLSA-N 1 0 234.343 1.735 10 0 BDAERO COc1cccnc1N1C[C@H](C[NH3+])C[C@H]1C ZINC000160299838 357972003 /nfs/dbraw/zinc/97/20/03/357972003.db2.gz FUTDVDKJMHYLDJ-ZJUUUORDSA-N 1 0 221.304 1.264 10 0 BDAERO [NH3+]CC1(CNc2ncns2)CCCC1 ZINC000168939438 358001142 /nfs/dbraw/zinc/00/11/42/358001142.db2.gz UGZXYWMSIQSUIN-UHFFFAOYSA-N 1 0 212.322 1.469 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NC1CCSCC1 ZINC000220750212 358052941 /nfs/dbraw/zinc/05/29/41/358052941.db2.gz UFUZLSYVIOVQKF-SNVBAGLBSA-N 1 0 242.388 1.388 10 0 BDAERO CC(C)N(CC[NH2+][C@@H]1CCCC[C@H]1O)C(C)C ZINC000037490859 358072885 /nfs/dbraw/zinc/07/28/85/358072885.db2.gz NOKXIHJAZBMELB-ZIAGYGMSSA-N 1 0 242.407 1.998 10 0 BDAERO CCn1ccnc1CN[C@H]1CC[N@H+](CC)C1 ZINC000385422169 358140758 /nfs/dbraw/zinc/14/07/58/358140758.db2.gz BGEKFRJORGTFTH-NSHDSACASA-N 1 0 222.336 1.087 10 0 BDAERO C(c1nc(C2CC2)no1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640124 134257377 /nfs/dbraw/zinc/25/73/77/134257377.db2.gz VXEHWXGZAMGEHX-LLVKDONJSA-N 1 0 248.330 1.227 10 0 BDAERO COc1ccc2[nH]c(C[NH2+]CCN(C)C)cc2c1 ZINC000584605786 358264527 /nfs/dbraw/zinc/26/45/27/358264527.db2.gz JANPXXRVTFSNRY-UHFFFAOYSA-N 1 0 247.342 1.828 10 0 BDAERO CCCCc1nc(C(N)=[NH2+])cn2c(C)cnc12 ZINC000584605171 358264550 /nfs/dbraw/zinc/26/45/50/358264550.db2.gz HMRZDKPORQWQKN-UHFFFAOYSA-N 1 0 231.303 1.664 10 0 BDAERO C[N@@H+]1CCC[C@H](C(=O)N2CC3CCC2CC3)C1 ZINC000584606535 358266059 /nfs/dbraw/zinc/26/60/59/358266059.db2.gz YGRRWAURXFLIRQ-CPCZMJQVSA-N 1 0 236.359 1.729 10 0 BDAERO Cc1cc(-n2ncc3c2cnc(N)c3F)cc[nH+]1 ZINC000584620019 358286784 /nfs/dbraw/zinc/28/67/84/358286784.db2.gz YZRMUAQBTCGLIB-UHFFFAOYSA-N 1 0 243.245 1.845 10 0 BDAERO [NH3+][C@@H]1CCO[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000584625201 358293670 /nfs/dbraw/zinc/29/36/70/358293670.db2.gz IMIVHZVGJMSDSC-MWLCHTKSSA-N 1 0 221.256 1.594 10 0 BDAERO c1nc(CCN2CC[NH2+]Cc3ccccc32)c[nH]1 ZINC000584617176 358282293 /nfs/dbraw/zinc/28/22/93/358282293.db2.gz PJPFTWHYVCJDLX-UHFFFAOYSA-N 1 0 242.326 1.562 10 0 BDAERO CC(C)(C)OC(=O)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000584643930 358329550 /nfs/dbraw/zinc/32/95/50/358329550.db2.gz SWWHWHNXCOUBDW-NSHDSACASA-N 1 0 228.292 1.180 10 0 BDAERO CN(C(=O)[C@H]1CC=CCC1)[C@H]1CCC[NH2+]CC1 ZINC000226458274 358339909 /nfs/dbraw/zinc/33/99/09/358339909.db2.gz AZNYFTHNLYPSCD-STQMWFEESA-N 1 0 236.359 1.943 10 0 BDAERO CC(C)c1nsc(N2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228164899 358369911 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359305473 /nfs/dbraw/zinc/30/54/73/359305473.db2.gz VCIFIJGAAGQRBH-NKWVEPMBSA-N 1 0 212.684 1.056 10 0 BDAERO Cc1sccc1C[NH2+][C@@H]1CNC(=O)C1 ZINC000306214529 359315816 /nfs/dbraw/zinc/31/58/16/359315816.db2.gz YVSRUICCPCFLFR-VIFPVBQESA-N 1 0 210.302 1.035 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1CC=C(Cl)Cl ZINC000403476211 359316834 /nfs/dbraw/zinc/31/68/34/359316834.db2.gz QGLBXSRTECAPRH-RQJHMYQMSA-N 1 0 209.120 1.727 10 0 BDAERO CC(C)(C)CC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404243703 359372236 /nfs/dbraw/zinc/37/22/36/359372236.db2.gz YULUDODVXRNYOH-NEPJUHHUSA-N 1 0 226.364 1.485 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCOC1(C)C)C(C)(C)O ZINC000306217132 359330761 /nfs/dbraw/zinc/33/07/61/359330761.db2.gz CPSNBSQPKHGRGR-BDAKNGLRSA-N 1 0 201.310 1.303 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1CN1CCC(F)(F)C1 ZINC000306231266 359379848 /nfs/dbraw/zinc/37/98/48/359379848.db2.gz LWONENPWNAZJPE-DTWKUNHWSA-N 1 0 204.264 1.455 10 0 BDAERO O[C@@H]1CCC[C@H](N2CCC(F)(F)C2)C1 ZINC000306239827 359408418 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WVUZGXGPGCJEIR-UHFFFAOYSA-N 1 0 247.067 1.485 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CNC(=O)NC1CCCCC1 ZINC000725255172 541332246 /nfs/dbraw/zinc/33/22/46/541332246.db2.gz VEZQELUJKSOYTI-JQWIXIFHSA-N 1 0 241.379 1.992 10 0 BDAERO CO[C@@H]1C[N@H+](CCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356695 364077950 /nfs/dbraw/zinc/07/79/50/364077950.db2.gz TVWSCADFCNKHTD-RYUDHWBXSA-N 1 0 214.353 1.471 10 0 BDAERO CO[C@H]1CN(C(=O)CC(C)(C)C)[C@](C)(C[NH3+])C1 ZINC000630361026 364080900 /nfs/dbraw/zinc/08/09/00/364080900.db2.gz KWEXPOSDFXWBQQ-MFKMUULPSA-N 1 0 242.363 1.387 10 0 BDAERO CO[C@@H]1C[N@H+](CCC=C(C)C)[C@@](C)(C[NH3+])C1 ZINC000630367168 364084920 /nfs/dbraw/zinc/08/49/20/364084920.db2.gz MJIFCSOLOQBRFQ-QWHCGFSZSA-N 1 0 226.364 1.781 10 0 BDAERO C[C@H]1CCN(C(=O)n2cc[n+](C)c2)C[C@H]1C ZINC000130680707 364035502 /nfs/dbraw/zinc/03/55/02/364035502.db2.gz ZLKMLTUPLKSRTO-WDEREUQCSA-N 1 0 222.312 1.259 10 0 BDAERO CCCCC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630365840 364083052 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ZINC000386654155 368006517 /nfs/dbraw/zinc/00/65/17/368006517.db2.gz LATQHQQEHPTMPY-ZDUSSCGKSA-N 1 0 234.347 1.895 10 0 BDAERO C[C@@H]1CN([C@H]2CCC[NH2+]C2)CCS1 ZINC000252982254 368176175 /nfs/dbraw/zinc/17/61/75/368176175.db2.gz VOIWKBHMJVSRJW-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO CC[NH2+][C@H](C)CNc1cc(C)nc(CC)n1 ZINC000387419090 368176595 /nfs/dbraw/zinc/17/65/95/368176595.db2.gz FNHYCHAZHCINJF-SNVBAGLBSA-N 1 0 222.336 1.179 10 0 BDAERO CC(=O)N1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000527421991 368308756 /nfs/dbraw/zinc/30/87/56/368308756.db2.gz KGQZGVATMIJSJC-ZDUSSCGKSA-N 1 0 218.300 1.481 10 0 BDAERO C[C@H](c1ccccc1)N1C[C@@H]([NH3+])C2(CC2)C1=O ZINC000038436061 368326653 /nfs/dbraw/zinc/32/66/53/368326653.db2.gz PVVUAPNCOAUUJL-ZYHUDNBSSA-N 1 0 230.311 1.697 10 0 BDAERO O[C@@H](c1cccc2c1NCC2)C1CC[NH2+]CC1 ZINC000114169169 368341486 /nfs/dbraw/zinc/34/14/86/368341486.db2.gz WNBOFRORKHXRTO-CQSZACIVSA-N 1 0 232.327 1.688 10 0 BDAERO Cc1cccc2c1[nH]c(=O)n2C1CC[NH2+]CC1 ZINC000137397988 368344592 /nfs/dbraw/zinc/34/45/92/368344592.db2.gz UHRGKGAMSZBNBP-UHFFFAOYSA-N 1 0 231.299 1.563 10 0 BDAERO CCN(CCC(N)=[NH2+])c1nncc2ccccc21 ZINC000042453143 169817011 /nfs/dbraw/zinc/81/70/11/169817011.db2.gz RPTQEOXVJRYQAG-UHFFFAOYSA-N 1 0 243.314 1.782 10 0 BDAERO C[C@@H]1CC[C@H](c2nc(C3([NH3+])CCC3)no2)O1 ZINC000566620071 326069010 /nfs/dbraw/zinc/06/90/10/326069010.db2.gz ZYAZJDXDXSFIKD-HTQZYQBOSA-N 1 0 223.276 1.648 10 0 BDAERO C(c1nc([C@@H]2CCCO2)no1)[C@H]1CCC[NH2+]C1 ZINC000087801412 368897675 /nfs/dbraw/zinc/89/76/75/368897675.db2.gz AXLJVPGTIYMFSR-ZJUUUORDSA-N 1 0 237.303 1.463 10 0 BDAERO CN(C)[C@H]1CC[N@H+](CCc2cccc(N)c2)C1 ZINC000087846359 368899401 /nfs/dbraw/zinc/89/94/01/368899401.db2.gz RISZRIKAEYFLGU-AWEZNQCLSA-N 1 0 233.359 1.447 10 0 BDAERO Clc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000115038508 368970170 /nfs/dbraw/zinc/97/01/70/368970170.db2.gz NCZJULQHIYTNLO-UHFFFAOYSA-N 1 0 225.704 1.990 10 0 BDAERO O[C@H](c1ccccc1)[C@@H]1CCN2CCC[NH+]=C12 ZINC000114635248 368945805 /nfs/dbraw/zinc/94/58/05/368945805.db2.gz KGDFKJYYPRCAEH-QWHCGFSZSA-N 1 0 230.311 1.844 10 0 BDAERO CCc1cccc(OC)c1CC1=[NH+]CCN1 ZINC000114912962 368958107 /nfs/dbraw/zinc/95/81/07/368958107.db2.gz JTXFAQMFXNTTRI-UHFFFAOYSA-N 1 0 218.300 1.802 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC(C2CC2)C2CC2)C1 ZINC000091546082 369013480 /nfs/dbraw/zinc/01/34/80/369013480.db2.gz KGXXAKGOPJSJBN-NWDGAFQWSA-N 1 0 236.359 1.666 10 0 BDAERO CC(C)n1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000091540670 369013603 /nfs/dbraw/zinc/01/36/03/369013603.db2.gz WGIVIOFQYUTUJC-VHSXEESVSA-N 1 0 236.319 1.530 10 0 BDAERO Cc1occc1CN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091549089 369014422 /nfs/dbraw/zinc/01/44/22/369014422.db2.gz NUEFWJKYYJKLAY-CMPLNLGQSA-N 1 0 236.315 1.674 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000623766700 369030096 /nfs/dbraw/zinc/03/00/96/369030096.db2.gz KWGLXJSPQIFKJC-STQMWFEESA-N 1 0 247.294 1.672 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000623766699 369030316 /nfs/dbraw/zinc/03/03/16/369030316.db2.gz KWGLXJSPQIFKJC-QWHCGFSZSA-N 1 0 247.294 1.672 10 0 BDAERO CC[NH2+][C@H](C)CNc1nc(C(C)C)ns1 ZINC000387701733 369094143 /nfs/dbraw/zinc/09/41/43/369094143.db2.gz XHHQTCVBTAECNP-MRVPVSSYSA-N 1 0 228.365 1.493 10 0 BDAERO [NH3+]C[C@@]1(N2CCOCC2)CCc2ccccc2C1 ZINC000037515654 181441694 /nfs/dbraw/zinc/44/16/94/181441694.db2.gz ZKWFEUMJEPKGMO-OAHLLOKOSA-N 1 0 246.354 1.205 10 0 BDAERO [NH3+]C[C@H]1CCCCN1CC(=O)c1ccco1 ZINC000095072437 181457494 /nfs/dbraw/zinc/45/74/94/181457494.db2.gz OPDGFEWYTHJWSW-SNVBAGLBSA-N 1 0 222.288 1.276 10 0 BDAERO [NH3+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000071521127 181450310 /nfs/dbraw/zinc/45/03/10/181450310.db2.gz FYPYWSDRJLTUEC-SECBINFHSA-N 1 0 219.206 1.568 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cnno1 ZINC000616691750 369114385 /nfs/dbraw/zinc/11/43/85/369114385.db2.gz MJQPEZKHRHTKFD-LLVKDONJSA-N 1 0 245.286 1.002 10 0 BDAERO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070500162 181469818 /nfs/dbraw/zinc/46/98/18/181469818.db2.gz PVMUHBGYQLLMPJ-KCJUWKMLSA-N 1 0 229.682 1.904 10 0 BDAERO COc1cc(F)cc(C[NH2+]CC2CC(O)C2)c1 ZINC000312254315 326235995 /nfs/dbraw/zinc/23/59/95/326235995.db2.gz HYDFHQJFHOKPFC-UHFFFAOYSA-N 1 0 239.290 1.695 10 0 BDAERO [NH3+]Cc1ccc(C2N=NC(=S)O2)cc1 ZINC000082532788 181480016 /nfs/dbraw/zinc/48/00/16/181480016.db2.gz FXGZLUSOBHOQCD-UHFFFAOYSA-N 1 0 207.258 1.484 10 0 BDAERO CS[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH3+] ZINC000225507692 370957522 /nfs/dbraw/zinc/95/75/22/370957522.db2.gz PFLGALIOGPKARN-HRDYMLBCSA-N 1 0 216.350 1.124 10 0 BDAERO [NH3+]Cc1ccc(N(CCO)C2CCCCC2)nc1 ZINC000042482762 181482981 /nfs/dbraw/zinc/48/29/81/181482981.db2.gz ITCKIAUVWUBYSI-UHFFFAOYSA-N 1 0 249.358 1.672 10 0 BDAERO [NH3+]Cc1ccc(C(=O)NCc2nccs2)cc1 ZINC000041013391 181480749 /nfs/dbraw/zinc/48/07/49/181480749.db2.gz LHFHVOSNWYTGCL-UHFFFAOYSA-N 1 0 247.323 1.532 10 0 BDAERO [NH3+]Cc1cccc(COC[C@@H]2CCCO2)c1 ZINC000019390882 181489087 /nfs/dbraw/zinc/48/90/87/181489087.db2.gz JKFKOJLQIJOSHD-ZDUSSCGKSA-N 1 0 221.300 1.841 10 0 BDAERO Cc1nn(C)c(N(C)C)c1C[NH2+]CC(C)C ZINC000062734865 370091430 /nfs/dbraw/zinc/09/14/30/370091430.db2.gz OUNOMFZESXDQKB-UHFFFAOYSA-N 1 0 224.352 1.540 10 0 BDAERO CC(C)[C@@H]1CN(C(=O)C2CC(C)C2)CC[NH2+]1 ZINC000621155135 370126860 /nfs/dbraw/zinc/12/68/60/370126860.db2.gz ZQCCLLBOUINPLU-MCIGGMRASA-N 1 0 224.348 1.489 10 0 BDAERO O[C@H](c1nccs1)[C@H]1CCCCC[NH2+]1 ZINC000161533197 370133961 /nfs/dbraw/zinc/13/39/61/370133961.db2.gz INEDLXQPURNUAQ-BDAKNGLRSA-N 1 0 212.318 1.709 10 0 BDAERO CC[N@H+](CCNC(=O)N[C@H]1C[C@@H]1C)C1CC1 ZINC000076082837 370213639 /nfs/dbraw/zinc/21/36/39/370213639.db2.gz LQTKGNOEHKOLLP-ONGXEEELSA-N 1 0 225.336 1.178 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000309632081 370236267 /nfs/dbraw/zinc/23/62/67/370236267.db2.gz KYPFOVHBDRDCHZ-QJPTWQEYSA-N 1 0 225.332 1.306 10 0 BDAERO CC(C)(C)[C@@H](O)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621380682 370324055 /nfs/dbraw/zinc/32/40/55/370324055.db2.gz BNCTVNXWTRIZHS-RYUDHWBXSA-N 1 0 243.391 1.876 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCCOCC1 ZINC000310470168 370346808 /nfs/dbraw/zinc/34/68/08/370346808.db2.gz IDCOFJDGJQHEGJ-CHWSQXEVSA-N 1 0 245.363 1.323 10 0 BDAERO CC1CC(CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000621672812 370424163 /nfs/dbraw/zinc/42/41/63/370424163.db2.gz UUUULRYBVGNDDO-ILDUYXDCSA-N 1 0 210.321 1.148 10 0 BDAERO c1cncc(N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000113930090 370516347 /nfs/dbraw/zinc/51/63/47/370516347.db2.gz NXSRJKWJBXFWFA-UHFFFAOYSA-N 1 0 217.316 1.662 10 0 BDAERO O=C1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccoc2)N1 ZINC000247851308 259546190 /nfs/dbraw/zinc/54/61/90/259546190.db2.gz HHTZSYNWSPBMRC-WDEREUQCSA-N 1 0 220.272 1.133 10 0 BDAERO C[C@H]([NH3+])CCNc1ccnc2cccnc21 ZINC000379205488 371058702 /nfs/dbraw/zinc/05/87/02/371058702.db2.gz JVPCUSTUZPYYHH-VIFPVBQESA-N 1 0 216.288 1.201 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000623763686 371086067 /nfs/dbraw/zinc/08/60/67/371086067.db2.gz JVBBPZNYLKHQNQ-NEPJUHHUSA-N 1 0 225.263 1.065 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000623765418 371086675 /nfs/dbraw/zinc/08/66/75/371086675.db2.gz SVCXWICYACDMDP-OLZOCXBDSA-N 1 0 227.348 1.696 10 0 BDAERO c1cc(CN(C[C@H]2CCC[NH2+]2)C2CC2)no1 ZINC000328607701 371131205 /nfs/dbraw/zinc/13/12/05/371131205.db2.gz WQODWJWSMGPQRF-SNVBAGLBSA-N 1 0 221.304 1.391 10 0 BDAERO NNc1[nH+]cnc(N2CCc3ccccc32)c1N ZINC000040687388 181522356 /nfs/dbraw/zinc/52/23/56/181522356.db2.gz BDCMHJGFGJADKL-UHFFFAOYSA-N 1 0 242.286 1.039 10 0 BDAERO [NH3+][C@@H](Cc1ccccn1)CC1CCOCC1 ZINC000053818190 181558840 /nfs/dbraw/zinc/55/88/40/181558840.db2.gz MEGNHVTZEVUFJB-GFCCVEGCSA-N 1 0 220.316 1.768 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1OCC1CCOCC1 ZINC000052150407 181576402 /nfs/dbraw/zinc/57/64/02/181576402.db2.gz ZOISDRAIDCJJKN-VXGBXAGGSA-N 1 0 213.321 1.700 10 0 BDAERO [NH3+][C@@H]1CCCN(C(=O)c2ccc3c[nH]nc3c2)C1 ZINC000061670060 181577841 /nfs/dbraw/zinc/57/78/41/181577841.db2.gz ZPONXRZXBLMTIC-LLVKDONJSA-N 1 0 244.298 1.126 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@@H]1CCCCO1 ZINC000624014386 371250267 /nfs/dbraw/zinc/25/02/67/371250267.db2.gz YJODFZPJBSXZHO-TUAOUCFPSA-N 1 0 240.347 1.012 10 0 BDAERO [NH3+][C@H]1CCc2cnc(-c3ccccc3)nc2C1 ZINC000091364348 181655592 /nfs/dbraw/zinc/65/55/92/181655592.db2.gz FPCUMQXEXRNXJN-LBPRGKRZSA-N 1 0 225.295 1.960 10 0 BDAERO [NH3+][C@H]1CCC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057516803 181639482 /nfs/dbraw/zinc/63/94/82/181639482.db2.gz LCXGTNACFJHWBO-GXSJLCMTSA-N 1 0 224.691 1.618 10 0 BDAERO [NH3+][C@H]1CCN(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000049647168 181650336 /nfs/dbraw/zinc/65/03/36/181650336.db2.gz RQENVPLSHREOMT-UYIBLKNYSA-N 1 0 234.343 1.515 10 0 BDAERO [NH3+][C@H]1CCN(Cc2ccc(F)cc2F)C1=O ZINC000051017542 181652086 /nfs/dbraw/zinc/65/20/86/181652086.db2.gz OKRKGPYBGAQQMW-JTQLQIEISA-N 1 0 226.226 1.024 10 0 BDAERO [NH3+][C@H]1CCOC[C@H]1Cc1ccc(F)cc1 ZINC000074155766 181653195 /nfs/dbraw/zinc/65/31/95/181653195.db2.gz KHIBBEBUSYFDLL-PWSUYJOCSA-N 1 0 209.264 1.732 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)[C@H]1CCCCO1 ZINC000624210423 371396376 /nfs/dbraw/zinc/39/63/76/371396376.db2.gz LTXRLIDSCFSQKG-WNYYMSAVSA-N 1 0 213.321 1.305 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000624234973 371423157 /nfs/dbraw/zinc/42/31/57/371423157.db2.gz AFZYCAXESCQJND-MELADBBJSA-N 1 0 233.311 1.413 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000624236375 371423883 /nfs/dbraw/zinc/42/38/83/371423883.db2.gz BGPKOGQRVOWNEC-YIYPIFLZSA-N 1 0 239.359 1.695 10 0 BDAERO CC(C)C[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624236121 371424078 /nfs/dbraw/zinc/42/40/78/371424078.db2.gz WLPZRRIGPJJZIM-DCAQKATOSA-N 1 0 201.310 1.160 10 0 BDAERO [NH3+]CC1([C@@H](O)c2nccs2)CCCC1 ZINC000161783450 371563675 /nfs/dbraw/zinc/56/36/75/371563675.db2.gz UFXBTNXNIYUTDU-QMMMGPOBSA-N 1 0 212.318 1.696 10 0 BDAERO [NH3+][C@H]1CCC[C@@](O)(C(F)(F)Br)C1 ZINC000225658063 371564196 /nfs/dbraw/zinc/56/41/96/371564196.db2.gz CUFYOFYEKJOWEO-WDSKDSINSA-N 1 0 244.079 1.607 10 0 BDAERO C[NH2+]C[C@@H]1CCCO[C@H]1c1nccs1 ZINC000161820775 371567123 /nfs/dbraw/zinc/56/71/23/371567123.db2.gz BOZLIBAIDQXFEK-DTWKUNHWSA-N 1 0 212.318 1.830 10 0 BDAERO [NH3+]C1(Cc2ccc(Br)cn2)CC1 ZINC000161826257 371569180 /nfs/dbraw/zinc/56/91/80/371569180.db2.gz RICMNAXHHHJTKZ-UHFFFAOYSA-N 1 0 227.105 1.878 10 0 BDAERO CCNC(=O)O[C@H]1CCCCC[C@@H]1[NH3+] ZINC000131756669 371667984 /nfs/dbraw/zinc/66/79/84/371667984.db2.gz XSPATETUUWAUPD-IUCAKERBSA-N 1 0 200.282 1.393 10 0 BDAERO c1ccc2c(c1)cncc2[C@H]1C[NH2+]CCO1 ZINC000215732795 371622025 /nfs/dbraw/zinc/62/20/25/371622025.db2.gz SZPGMBNTIAZATR-CYBMUJFWSA-N 1 0 214.268 1.896 10 0 BDAERO CC[C@H]1C[NH+]=C(N[C@H]2CCCOC2)S1 ZINC000230007355 371632555 /nfs/dbraw/zinc/63/25/55/371632555.db2.gz YKPRPZTYXWXGSK-IUCAKERBSA-N 1 0 214.334 1.636 10 0 BDAERO CC(C)[C@@H]1C[NH+]=C(NCC(F)F)S1 ZINC000230010150 371634578 /nfs/dbraw/zinc/63/45/78/371634578.db2.gz CBAFJVJEOSLUKV-LURJTMIESA-N 1 0 208.277 1.969 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1Oc1ncc(Cl)cn1 ZINC000131647312 371641177 /nfs/dbraw/zinc/64/11/77/371641177.db2.gz ZOVJDGWPMYRHKF-HTQZYQBOSA-N 1 0 213.668 1.389 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)Cc2cncs2)C1 ZINC000226336109 371648958 /nfs/dbraw/zinc/64/89/58/371648958.db2.gz SGSYBPWSARSFKA-IUCAKERBSA-N 1 0 224.329 1.772 10 0 BDAERO Nc1[nH+]c2cc(F)ccc2n1[C@@H]1CCC(=O)NC1 ZINC000104230305 181792954 /nfs/dbraw/zinc/79/29/54/181792954.db2.gz XSRYBBCAKKOCEO-MRVPVSSYSA-N 1 0 248.261 1.209 10 0 BDAERO C[C@H](CC(N)=S)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226669981 371719458 /nfs/dbraw/zinc/71/94/58/371719458.db2.gz GPRDCOSNNAMTGJ-HLTSFMKQSA-N 1 0 232.418 1.877 10 0 BDAERO Nc1nc2ccccc2nc1N[C@@H]1CCC[NH2+]C1 ZINC000095072162 181794438 /nfs/dbraw/zinc/79/44/38/181794438.db2.gz ZKECJRRWUWISEV-SECBINFHSA-N 1 0 243.314 1.376 10 0 BDAERO CC[C@](C)([NH3+])CN1CCCO[C@@H](C)C1 ZINC000226694091 371726865 /nfs/dbraw/zinc/72/68/65/371726865.db2.gz KCWBCNRRGFNKBX-QWRGUYRKSA-N 1 0 200.326 1.225 10 0 BDAERO C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[S@@](=O)C(C)C ZINC000227045307 371773554 /nfs/dbraw/zinc/77/35/54/371773554.db2.gz FKITVJGQWLDORK-MIJXAVMKSA-N 1 0 217.378 1.920 10 0 BDAERO C[C@@H]1[C@H](C)SCCN1C(C)(C)C[NH3+] ZINC000132278236 371783232 /nfs/dbraw/zinc/78/32/32/371783232.db2.gz HQSOOBURSONAAK-BDAKNGLRSA-N 1 0 202.367 1.550 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C(C)(C)O ZINC000227224468 371805812 /nfs/dbraw/zinc/80/58/12/371805812.db2.gz VAQRMHWHBUAXMU-IVZWLZJFSA-N 1 0 201.310 1.039 10 0 BDAERO C[C@H]1SCCN(C[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000132419178 371817147 /nfs/dbraw/zinc/81/71/47/371817147.db2.gz VKYNELDQTNXFGW-AXFHLTTASA-N 1 0 214.378 1.564 10 0 BDAERO C[C@H]1CN(CCF)[C@@H](C(C)(C)C)C[NH2+]1 ZINC000227323615 371834908 /nfs/dbraw/zinc/83/49/08/371834908.db2.gz JHEBQVZENVXIID-VHSXEESVSA-N 1 0 202.317 1.664 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CN1C(=O)c2ccccc2C1=O ZINC000132627382 371877193 /nfs/dbraw/zinc/87/71/93/371877193.db2.gz AFKGZNXBHIWYDH-JOYOIKCWSA-N 1 0 246.310 1.656 10 0 BDAERO CN[C@H](C[NH3+])c1cc(Cl)ccc1F ZINC000162992493 371906013 /nfs/dbraw/zinc/90/60/13/371906013.db2.gz DPESXUVJXLRYEO-SECBINFHSA-N 1 0 202.660 1.698 10 0 BDAERO [NH3+]C[C@H](O)Cc1ccc(Cl)cc1F ZINC000163249603 371959015 /nfs/dbraw/zinc/95/90/15/371959015.db2.gz ZESZDEUPFXGHJT-MRVPVSSYSA-N 1 0 203.644 1.341 10 0 BDAERO [NH2+]=C1NC[C@@H](c2sccc2Br)N1 ZINC000228027081 371979152 /nfs/dbraw/zinc/97/91/52/371979152.db2.gz HSNGDKNUNPYLHA-YFKPBYRVSA-N 1 0 246.133 1.470 10 0 BDAERO Cc1cc([C@H]([NH3+])c2ccsc2)n(C)n1 ZINC000163450500 371996492 /nfs/dbraw/zinc/99/64/92/371996492.db2.gz OQZQWLAFVRGSAF-SNVBAGLBSA-N 1 0 207.302 1.838 10 0 BDAERO CO[C@H]1C[NH2+][C@H](C(=O)c2ccsc2C)C1 ZINC000227879792 371951113 /nfs/dbraw/zinc/95/11/13/371951113.db2.gz JSBTZTSOLJSDGZ-SCZZXKLOSA-N 1 0 225.313 1.616 10 0 BDAERO C[C@@H]([NH3+])c1c[nH]c([C@@H]2CSCCO2)n1 ZINC000306530730 372031827 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UGTOZWCNOOZOEF-NSHDSACASA-N 1 0 207.273 1.352 10 0 BDAERO OCC[N@H+](CCc1cccnc1)C1CCCC1 ZINC000063224151 183067622 /nfs/dbraw/zinc/06/76/22/183067622.db2.gz XPAIMKTYAZRGKN-UHFFFAOYSA-N 1 0 234.343 1.861 10 0 BDAERO OCC[C@@H]([NH2+]C1CC1)c1ccnc(Cl)c1 ZINC000095078765 183090396 /nfs/dbraw/zinc/09/03/96/183090396.db2.gz HKVQQBYYWQOCDX-SNVBAGLBSA-N 1 0 226.707 1.911 10 0 BDAERO OCC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000051769755 183069453 /nfs/dbraw/zinc/06/94/53/183069453.db2.gz YKJGKJKCJUNFNN-CABCVRRESA-N 1 0 249.354 1.784 10 0 BDAERO CCCC[C@H]([NH3+])C(=O)N(CCOC)CC(C)C ZINC000037809125 169006318 /nfs/dbraw/zinc/00/63/18/169006318.db2.gz DLZCZNLBHNECTN-LBPRGKRZSA-N 1 0 244.379 1.635 10 0 BDAERO CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccncc1 ZINC000037619448 169007047 /nfs/dbraw/zinc/00/70/47/169007047.db2.gz UQHBRPDRKZUXHZ-JQWIXIFHSA-N 1 0 235.331 1.776 10 0 BDAERO CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(N)=O ZINC000037619292 169007254 /nfs/dbraw/zinc/00/72/54/169007254.db2.gz XIBRHNIMQMYNFW-JTQLQIEISA-N 1 0 249.314 1.242 10 0 BDAERO OC[C@@H]1[NH2+]CCc2cc(F)cc(Cl)c21 ZINC000075737019 183131723 /nfs/dbraw/zinc/13/17/23/183131723.db2.gz BXSZSLQZCNFQQD-VIFPVBQESA-N 1 0 215.655 1.658 10 0 BDAERO CCCCc1ccc(-n2nnnc2C[NH3+])cc1 ZINC000054745052 169019944 /nfs/dbraw/zinc/01/99/44/169019944.db2.gz FDUQVMMNONBLFI-UHFFFAOYSA-N 1 0 231.303 1.464 10 0 BDAERO CCCCc1ccc(CNC(=O)C[NH3+])cc1 ZINC000107286253 169020102 /nfs/dbraw/zinc/02/01/02/169020102.db2.gz IZSOQROZZBJWHN-UHFFFAOYSA-N 1 0 220.316 1.604 10 0 BDAERO OC[C@H]([NH2+]C1CC1)c1cc(F)c(F)c(F)c1 ZINC000062720593 183138926 /nfs/dbraw/zinc/13/89/26/183138926.db2.gz CJSHXDNJKJMENS-JTQLQIEISA-N 1 0 231.217 1.889 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000124306505 183148137 /nfs/dbraw/zinc/14/81/37/183148137.db2.gz VQOLUVQMRLPVFU-KOLCDFICSA-N 1 0 226.345 1.784 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000165678941 183148629 /nfs/dbraw/zinc/14/86/29/183148629.db2.gz UCBQIDVPYGBHAB-NEPJUHHUSA-N 1 0 208.305 1.655 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000152315747 183149251 /nfs/dbraw/zinc/14/92/51/183149251.db2.gz RYMGGCJVVRYMAW-ZYHUDNBSSA-N 1 0 209.289 1.920 10 0 BDAERO CCCN(C(=O)OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747966 169043120 /nfs/dbraw/zinc/04/31/20/169043120.db2.gz AQRZBZSRBDMLGR-ZACCUICWSA-N 1 0 226.320 1.748 10 0 BDAERO CCCN(C(=O)N1CC[NH2+]CC1)C(C)C ZINC000037095963 169044170 /nfs/dbraw/zinc/04/41/70/169044170.db2.gz RFLJMHHXNWECPL-UHFFFAOYSA-N 1 0 213.325 1.132 10 0 BDAERO O[C@@H](C[NH2+]C[C@H]1CCOC1)c1ccccc1F ZINC000038094548 183179056 /nfs/dbraw/zinc/17/90/56/183179056.db2.gz LAGOGTRNYKMPPK-MFKMUULPSA-N 1 0 239.290 1.485 10 0 BDAERO O[C@@H](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000041242370 183183642 /nfs/dbraw/zinc/18/36/42/183183642.db2.gz MEDKEXYVIDVXAM-ZDUSSCGKSA-N 1 0 223.291 1.729 10 0 BDAERO O[C@@H]1CCC[C@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000053924382 183197069 /nfs/dbraw/zinc/19/70/69/183197069.db2.gz ABSCUNAOIBYAGL-UONOGXRCSA-N 1 0 238.375 1.175 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@@H]1Cc1ccc(Cl)cc1 ZINC000071532596 183199836 /nfs/dbraw/zinc/19/98/36/183199836.db2.gz SFTBSHONMMDZSN-CMPLNLGQSA-N 1 0 225.719 1.853 10 0 BDAERO O[C@@H]1C[NH2+]C[C@H]1Oc1ccc2ccccc2c1 ZINC000104230981 183207912 /nfs/dbraw/zinc/20/79/12/183207912.db2.gz KDSJFAXCOUQIDW-ZIAGYGMSSA-N 1 0 229.279 1.551 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000305464554 183188981 /nfs/dbraw/zinc/18/89/81/183188981.db2.gz WNGMGCLHOOMJIJ-WDEREUQCSA-N 1 0 248.317 1.173 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000216425241 183190668 /nfs/dbraw/zinc/19/06/68/183190668.db2.gz FLBKYHYUECZKAN-BFHYXJOUSA-N 1 0 247.338 1.883 10 0 BDAERO O[C@H](C[NH2+]C1CC1)Cc1cccc(F)c1 ZINC000071511592 183222551 /nfs/dbraw/zinc/22/25/51/183222551.db2.gz NGDOLFHTNJLAFB-LBPRGKRZSA-N 1 0 209.264 1.481 10 0 BDAERO O[C@H](C[NH2+]CCn1cccn1)c1cccc(F)c1 ZINC000042540713 183223868 /nfs/dbraw/zinc/22/38/68/183223868.db2.gz CKOJASLLZAINLB-CYBMUJFWSA-N 1 0 249.289 1.345 10 0 BDAERO O[C@H](C[NH2+][C@H]1CCOc2ccccc21)C1CC1 ZINC000071300008 183225457 /nfs/dbraw/zinc/22/54/57/183225457.db2.gz RRECCKGSMPZUFN-QWHCGFSZSA-N 1 0 233.311 1.871 10 0 BDAERO O[C@H](CNc1ccccc1)C[NH+]1CCCCC1 ZINC000005593460 183226300 /nfs/dbraw/zinc/22/63/00/183226300.db2.gz RXEWLSQUHJUOJX-CQSZACIVSA-N 1 0 234.343 1.945 10 0 BDAERO O[C@H](c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000034963466 183229647 /nfs/dbraw/zinc/22/96/47/183229647.db2.gz QFMOSYQCNGBEPM-LBPRGKRZSA-N 1 0 227.254 1.998 10 0 BDAERO CCC[N@H+](CC(=O)NC)[C@H](C)c1cccc(N)c1 ZINC000042403611 169096738 /nfs/dbraw/zinc/09/67/38/169096738.db2.gz SHZZRGFKNZEWJL-LLVKDONJSA-N 1 0 249.358 1.788 10 0 BDAERO CCCN(CC(F)F)CC1(O)CCC1 ZINC000336670512 169108846 /nfs/dbraw/zinc/10/88/46/169108846.db2.gz HOHIEGFATGMFRF-UHFFFAOYSA-N 1 0 207.264 1.879 10 0 BDAERO O[C@H]1CC[NH2+][C@H]1c1ccc(Cl)c(F)c1 ZINC000082370122 183240921 /nfs/dbraw/zinc/24/09/21/183240921.db2.gz ZVSYBVLVSBHNEG-UWVGGRQHSA-N 1 0 215.655 1.874 10 0 BDAERO O[C@H]1COCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336259651 183245876 /nfs/dbraw/zinc/24/58/76/183245876.db2.gz BPFCOORZIPUUTD-NXEZZACHSA-N 1 0 235.274 1.115 10 0 BDAERO O[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000037876716 183247104 /nfs/dbraw/zinc/24/71/04/183247104.db2.gz MNQSBGVCFQAAIP-QWRGUYRKSA-N 1 0 227.691 1.189 10 0 BDAERO O[C@]1(c2cccc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000071535086 183251297 /nfs/dbraw/zinc/25/12/97/183251297.db2.gz FEZHIKGQODPJMI-SNVBAGLBSA-N 1 0 231.217 1.886 10 0 BDAERO O[C@]1(Cc2cccc(Cl)c2)CC[NH2+]C1 ZINC000082462359 183251617 /nfs/dbraw/zinc/25/16/17/183251617.db2.gz QKUZDIBVTVITIO-NSHDSACASA-N 1 0 211.692 1.607 10 0 BDAERO O[C@]1(Cc2ccc(F)cc2)CC[N@@H+](C2CC2)C1 ZINC000061988144 183251934 /nfs/dbraw/zinc/25/19/34/183251934.db2.gz HXAPIXRQBGNSST-AWEZNQCLSA-N 1 0 235.302 1.967 10 0 BDAERO O[C@]1(c2ccccc2Cl)CCC[NH2+]C1 ZINC000071518432 183252905 /nfs/dbraw/zinc/25/29/05/183252905.db2.gz CZIYVBVILFQDFZ-LLVKDONJSA-N 1 0 211.692 1.911 10 0 BDAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCOC2(CCCC2)C1 ZINC000305663475 183233102 /nfs/dbraw/zinc/23/31/02/183233102.db2.gz HDYMGIRYIIOMIP-OLZOCXBDSA-N 1 0 239.359 1.935 10 0 BDAERO Oc1ccc(CN2CC[NH2+]CC2)c2cccnc12 ZINC000034279441 183269303 /nfs/dbraw/zinc/26/93/03/183269303.db2.gz ROFOCVOWQJSCGY-UHFFFAOYSA-N 1 0 243.310 1.346 10 0 BDAERO CCCN(CC1CC1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094565503 169135059 /nfs/dbraw/zinc/13/50/59/169135059.db2.gz MQNRDVOZOKSXND-NEPJUHHUSA-N 1 0 240.347 1.141 10 0 BDAERO Oc1ccc2c(c1)CC[C@@]1(CC[NH2+]C1)O2 ZINC000036142062 183279834 /nfs/dbraw/zinc/27/98/34/183279834.db2.gz KBXUWFVJZYGQOF-LBPRGKRZSA-N 1 0 205.257 1.449 10 0 BDAERO Oc1ccc2c(c1)O[C@@]1(CC[NH2+]C1)CC2 ZINC000036142046 183280985 /nfs/dbraw/zinc/28/09/85/183280985.db2.gz SQUPXPXHINUMFD-GFCCVEGCSA-N 1 0 205.257 1.449 10 0 BDAERO CCCN(CCC)c1ccc(C(N)=[NH2+])cn1 ZINC000019802772 169152812 /nfs/dbraw/zinc/15/28/12/169152812.db2.gz FWGVEGVZVKKYLN-UHFFFAOYSA-N 1 0 220.320 1.992 10 0 BDAERO Oc1cc(O)c2c(c1)[C@@H]1CCC[NH2+][C@@H]1CC2 ZINC000029566450 183261633 /nfs/dbraw/zinc/26/16/33/183261633.db2.gz RTZCGMQBIRBCHE-JOYOIKCWSA-N 1 0 219.284 1.880 10 0 BDAERO CCCN(C[C@H](C)C(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC000104337498 169173452 /nfs/dbraw/zinc/17/34/52/169173452.db2.gz KTAFGPHUDRZQQT-NWDGAFQWSA-N 1 0 242.363 1.260 10 0 BDAERO Oc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000084231621 183290891 /nfs/dbraw/zinc/29/08/91/183290891.db2.gz LYDSWXANZBQPQP-DGCLKSJQSA-N 1 0 221.300 1.643 10 0 BDAERO CCCN(CCO)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901989 169166798 /nfs/dbraw/zinc/16/67/98/169166798.db2.gz PSAQIFNEULFQNO-OCCSQVGLSA-N 1 0 236.359 1.779 10 0 BDAERO CCCN1C(=O)C[C@H]([NH2+][C@@H](C)[C@@H](C)CC)C1=O ZINC000042554608 169184821 /nfs/dbraw/zinc/18/48/21/169184821.db2.gz LIOYRYUJUKGUPW-DCAQKATOSA-N 1 0 240.347 1.548 10 0 BDAERO CCCN1C(=O)C[C@H]([NH2+]C2CCCC2)C1=O ZINC000102665238 169184834 /nfs/dbraw/zinc/18/48/34/169184834.db2.gz MSQJJFDTXFPZJR-JTQLQIEISA-N 1 0 224.304 1.056 10 0 BDAERO CCC[NH+]1CCC([NH2+][C@@H](C)CC)(C(=O)[O-])CC1 ZINC000038065826 169189354 /nfs/dbraw/zinc/18/93/54/169189354.db2.gz ZOQJNRVRUFHJNJ-NSHDSACASA-N 1 0 242.363 1.704 10 0 BDAERO CCC[NH+]1CCC(N[C@@H](C)c2cc[nH]n2)CC1 ZINC000037906949 169190251 /nfs/dbraw/zinc/19/02/51/169190251.db2.gz OHRNWQWGUMCMHC-NSHDSACASA-N 1 0 236.363 1.935 10 0 BDAERO CCCN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000071681306 169203325 /nfs/dbraw/zinc/20/33/25/169203325.db2.gz GBXSBKJZDFWLKS-CQSZACIVSA-N 1 0 240.391 1.708 10 0 BDAERO CCC[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893678 169204567 /nfs/dbraw/zinc/20/45/67/169204567.db2.gz UMPIFANWTDHUKL-ZDUSSCGKSA-N 1 0 237.347 1.611 10 0 BDAERO S=C1C[NH2+]C[C@H]2c3ccccc3CCCN12 ZINC000034317352 183312635 /nfs/dbraw/zinc/31/26/35/183312635.db2.gz IFWWHGLMEJHVLG-LBPRGKRZSA-N 1 0 232.352 1.907 10 0 BDAERO S=C1Nc2ccccc2CN1[C@H]1CCC[NH2+]C1 ZINC000095078931 183313280 /nfs/dbraw/zinc/31/32/80/183313280.db2.gz XTAONLUXKXSNHI-NSHDSACASA-N 1 0 247.367 1.951 10 0 BDAERO c1cn(CCc2ccncc2)c(C[NH2+]C2CC2)n1 ZINC000051015029 183337622 /nfs/dbraw/zinc/33/76/22/183337622.db2.gz CTQZTADHEACPFI-UHFFFAOYSA-N 1 0 242.326 1.773 10 0 BDAERO c1cc(CC[NH2+]CCN2CCCCC2)ccn1 ZINC000049575144 183337915 /nfs/dbraw/zinc/33/79/15/183337915.db2.gz VFTRSDQUEVSFAT-UHFFFAOYSA-N 1 0 233.359 1.700 10 0 BDAERO CCCNC(=O)CNCC[NH+](C(C)C)C(C)C ZINC000020039408 169226236 /nfs/dbraw/zinc/22/62/36/169226236.db2.gz DBWFHSFMUHYGCD-UHFFFAOYSA-N 1 0 243.395 1.221 10 0 BDAERO CCCNC(=O)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000035135805 169226509 /nfs/dbraw/zinc/22/65/09/169226509.db2.gz MNXALOOWCRCLRT-GFCCVEGCSA-N 1 0 234.343 1.906 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1ccc(C)cc1 ZINC000057524379 169232464 /nfs/dbraw/zinc/23/24/64/169232464.db2.gz WWBGCOJEIYVWRJ-CYBMUJFWSA-N 1 0 234.343 1.954 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1ccccc1C ZINC000057524339 169232932 /nfs/dbraw/zinc/23/29/32/169232932.db2.gz OURDCXOJEHLLFG-LBPRGKRZSA-N 1 0 234.343 1.954 10 0 BDAERO CCCNC(=[NH2+])N[C@@H](CO)Cc1ccccc1 ZINC000063221238 169212554 /nfs/dbraw/zinc/21/25/54/169212554.db2.gz FESYFZWAKHNWMM-GFCCVEGCSA-N 1 0 235.331 1.114 10 0 BDAERO c1cc(Cc2noc([C@H]3CCC[NH2+]C3)n2)ccn1 ZINC000053129655 183356237 /nfs/dbraw/zinc/35/62/37/183356237.db2.gz XVICZBKZSJRQGG-NSHDSACASA-N 1 0 244.298 1.522 10 0 BDAERO CCC[NH2+]CCC(=O)N1CCc2ccccc21 ZINC000072417532 169256557 /nfs/dbraw/zinc/25/65/57/169256557.db2.gz SXFPVCASUQJSCH-UHFFFAOYSA-N 1 0 232.327 1.965 10 0 BDAERO CCC[NH2+]CCCCO[C@@H]1CCOC1 ZINC000082455725 169257501 /nfs/dbraw/zinc/25/75/01/169257501.db2.gz GACKCXXFHTVRNK-LLVKDONJSA-N 1 0 201.310 1.572 10 0 BDAERO c1cc(C[NH2+]C2COC2)cc2c1CCC2 ZINC000076638803 183368071 /nfs/dbraw/zinc/36/80/71/183368071.db2.gz DTYPXNTUQDODPU-UHFFFAOYSA-N 1 0 203.285 1.664 10 0 BDAERO c1cc([C@H]2COCC[NH2+]2)cc2c1OCC2 ZINC000082929992 183371493 /nfs/dbraw/zinc/37/14/93/183371493.db2.gz IZXGILAWHXJMPK-LLVKDONJSA-N 1 0 205.257 1.282 10 0 BDAERO c1cc2cc(c1)NCCC[NH2+]CCCN2 ZINC000039124199 183374982 /nfs/dbraw/zinc/37/49/82/183374982.db2.gz WLSZEIIAKNCUDA-UHFFFAOYSA-N 1 0 205.305 1.894 10 0 BDAERO c1ccc(-c2nnc(C[NH2+]C3CC3)[nH]2)cc1 ZINC000042013593 183381720 /nfs/dbraw/zinc/38/17/20/183381720.db2.gz GMRVJAAVYSUGHJ-UHFFFAOYSA-N 1 0 214.272 1.724 10 0 BDAERO c1sc(N2CC[NH2+]CC2)nc1-c1ccccn1 ZINC000044494096 183382447 /nfs/dbraw/zinc/38/24/47/183382447.db2.gz BTDZRUKFSNSSGL-UHFFFAOYSA-N 1 0 246.339 1.615 10 0 BDAERO CCCNC(=O)[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049203048 169247467 /nfs/dbraw/zinc/24/74/67/169247467.db2.gz IVCJPVJOLOVGFR-SRVKXCTJSA-N 1 0 242.363 1.184 10 0 BDAERO CCCNC(=O)[C@H](C[NH3+])Cc1ccccc1F ZINC000050304138 169248148 /nfs/dbraw/zinc/24/81/48/169248148.db2.gz VCNPUCPRVIMOGY-NSHDSACASA-N 1 0 238.306 1.469 10 0 BDAERO CCCNC(=O)[C@H](CC[NH3+])c1ccncc1 ZINC000076610649 169248629 /nfs/dbraw/zinc/24/86/29/169248629.db2.gz CJYIETFVPAJLFT-LLVKDONJSA-N 1 0 221.304 1.040 10 0 BDAERO CCC[NH2+]C[C@H](CC)N1CCn2ccnc2C1 ZINC000062325527 169263081 /nfs/dbraw/zinc/26/30/81/169263081.db2.gz HQYUJFMNMWFSIG-LBPRGKRZSA-N 1 0 236.363 1.477 10 0 BDAERO CCCN[C@@](C)(COC1CCC1)C(=O)OCC ZINC000050521466 169284521 /nfs/dbraw/zinc/28/45/21/169284521.db2.gz GXQIDCARDRTZRJ-ZDUSSCGKSA-N 1 0 243.347 1.877 10 0 BDAERO CCC[NH2+][C@H](C)CCCn1nc(C)ccc1=O ZINC000061810375 169285945 /nfs/dbraw/zinc/28/59/45/169285945.db2.gz CAOAXXHJWDCOGY-LLVKDONJSA-N 1 0 237.347 1.720 10 0 BDAERO CCC[NH2+][C@H](C)Cn1c(C)nc(C)cc1=O ZINC000082598765 169286456 /nfs/dbraw/zinc/28/64/56/169286456.db2.gz WLEAADYENMWLCT-SNVBAGLBSA-N 1 0 223.320 1.248 10 0 BDAERO CCC[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020084265 169286906 /nfs/dbraw/zinc/28/69/06/169286906.db2.gz QBTQHXYOWOLHNE-MRVPVSSYSA-N 1 0 219.288 1.917 10 0 BDAERO CCC[NH2+][C@H](C)c1c(C)nc(C)[nH]c1=O ZINC000037484060 169286992 /nfs/dbraw/zinc/28/69/92/169286992.db2.gz MGOWFEJWVSPPBV-SSDOTTSWSA-N 1 0 209.293 1.447 10 0 BDAERO c1ccc(C2(CN3CC[NH2+]CC3)CC2)cc1 ZINC000057497945 183388149 /nfs/dbraw/zinc/38/81/49/183388149.db2.gz UQGGRIRTIKQCBB-UHFFFAOYSA-N 1 0 216.328 1.623 10 0 BDAERO CCCN[C@H](C[N@@H+]1CCCC1(C)C)C(=O)OC ZINC000063072599 169289261 /nfs/dbraw/zinc/28/92/61/169289261.db2.gz KHOHLQANNRJWCF-LLVKDONJSA-N 1 0 242.363 1.402 10 0 BDAERO c1nnc(CC[NH2+]C2CC(c3ccccc3)C2)[nH]1 ZINC000080576687 183390607 /nfs/dbraw/zinc/39/06/07/183390607.db2.gz UVHLJERXEFPUII-UHFFFAOYSA-N 1 0 242.326 1.883 10 0 BDAERO CCC[NH2+]C[C@H]1CC[C@H](Cn2ccnc2C)O1 ZINC000052576185 169264802 /nfs/dbraw/zinc/26/48/02/169264802.db2.gz WRQZABJJJSIMJZ-CHWSQXEVSA-N 1 0 237.347 1.739 10 0 BDAERO CCC[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000020056596 169266347 /nfs/dbraw/zinc/26/63/47/169266347.db2.gz NGLFYDOGVMOZFD-UHFFFAOYSA-N 1 0 210.252 1.424 10 0 BDAERO CCC[NH2+]Cc1cccnc1-n1nc(C)nc1C ZINC000051488278 169267531 /nfs/dbraw/zinc/26/75/31/169267531.db2.gz UHKLMIMLWBBWIX-UHFFFAOYSA-N 1 0 245.330 1.779 10 0 BDAERO CCC[NH2+]Cc1ccnc(OCCCOC)c1 ZINC000051522348 169267688 /nfs/dbraw/zinc/26/76/88/169267688.db2.gz KIUMRBASJJKUBG-UHFFFAOYSA-N 1 0 238.331 1.997 10 0 BDAERO c1ccc(CC[NH2+][C@H]2CCN3CCC[C@H]23)nc1 ZINC000049567825 183395201 /nfs/dbraw/zinc/39/52/01/183395201.db2.gz TWPLDYSMDOECOQ-UONOGXRCSA-N 1 0 231.343 1.450 10 0 BDAERO CCC[NH2+]Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000064875651 169269004 /nfs/dbraw/zinc/26/90/04/169269004.db2.gz RBXUVRNCMQVFGI-UHFFFAOYSA-N 1 0 231.299 1.731 10 0 BDAERO CCC[NH2+]Cc1nc2c(s1)COCC2 ZINC000053294890 169269551 /nfs/dbraw/zinc/26/95/51/169269551.db2.gz ACXMCSCPLIFEEV-UHFFFAOYSA-N 1 0 212.318 1.715 10 0 BDAERO CCC[NH2+][C@@H](C)c1ccccc1OCC(N)=O ZINC000034821194 169276551 /nfs/dbraw/zinc/27/65/51/169276551.db2.gz WDXXTAFBVKNRET-JTQLQIEISA-N 1 0 236.315 1.611 10 0 BDAERO CCC[NH2+][C@H](c1cnn(C)c1)c1ccncc1 ZINC000035584182 169280468 /nfs/dbraw/zinc/28/04/68/169280468.db2.gz LYEDFMYBUNQJRK-ZDUSSCGKSA-N 1 0 230.315 1.904 10 0 BDAERO CCC[NH2+][C@@H]1CCN(CCc2ccco2)C1=O ZINC000049649101 169281961 /nfs/dbraw/zinc/28/19/61/169281961.db2.gz KIEGEFIPMZNGKC-GFCCVEGCSA-N 1 0 236.315 1.423 10 0 BDAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1S(C)(=O)=O ZINC000054930518 169282477 /nfs/dbraw/zinc/28/24/77/169282477.db2.gz GUJTXQPBQCTQOS-MNOVXSKESA-N 1 0 233.377 1.732 10 0 BDAERO CCC[NH2+][C@@H]1CCN(Cc2cnc(C)cn2)C1 ZINC000061321483 169282669 /nfs/dbraw/zinc/28/26/69/169282669.db2.gz LDQVOWBCTUSMEG-GFCCVEGCSA-N 1 0 234.347 1.359 10 0 BDAERO CCC[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000035687787 169283138 /nfs/dbraw/zinc/28/31/38/169283138.db2.gz ODLYEZGDCRAGGP-SNVBAGLBSA-N 1 0 225.313 1.515 10 0 BDAERO CCCOCc1noc(C2CCC([NH3+])CC2)n1 ZINC000044652587 169310664 /nfs/dbraw/zinc/31/06/64/169310664.db2.gz DAUYESZACQUONW-UHFFFAOYSA-N 1 0 239.319 1.981 10 0 BDAERO CCCOCc1noc(C[C@H](CC)[NH2+]CC)n1 ZINC000104064453 169311234 /nfs/dbraw/zinc/31/12/34/169311234.db2.gz NXYPVZNYBFQSOG-JTQLQIEISA-N 1 0 241.335 1.927 10 0 BDAERO CCCOCc1noc([C@@H]2CCC[C@@H]2[NH2+]C)n1 ZINC000104063159 169311330 /nfs/dbraw/zinc/31/13/30/169311330.db2.gz HOSMSQRYVIFLHM-ZJUUUORDSA-N 1 0 239.319 1.852 10 0 BDAERO CCC[NH2+][C@H]1CCN(CCc2ccncc2)C1=O ZINC000049648840 169291605 /nfs/dbraw/zinc/29/16/05/169291605.db2.gz SZHNJOVEPJIOJN-ZDUSSCGKSA-N 1 0 247.342 1.225 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2ccncc2)C1=O ZINC000049648744 169292073 /nfs/dbraw/zinc/29/20/73/169292073.db2.gz DMPLYORTSOYXKG-AAEUAGOBSA-N 1 0 247.342 1.743 10 0 BDAERO CCCOc1ccc([C@@](C)([NH2+]C)C(N)=O)cc1 ZINC000037459010 169321321 /nfs/dbraw/zinc/32/13/21/169321321.db2.gz JDRCSWGEODUBQV-CYBMUJFWSA-N 1 0 236.315 1.395 10 0 BDAERO CCCOc1ccccc1C[NH2+]CCCO ZINC000040743703 169326579 /nfs/dbraw/zinc/32/65/79/169326579.db2.gz TVULDNSHQOBFAA-UHFFFAOYSA-N 1 0 223.316 1.947 10 0 BDAERO CCCOc1ccccc1C[NH2+]C[C@H](C)O ZINC000040743848 169326590 /nfs/dbraw/zinc/32/65/90/169326590.db2.gz HGJQLHGMHRJOIM-NSHDSACASA-N 1 0 223.316 1.946 10 0 BDAERO CCCS(=O)(=O)C1CCC([NH3+])CC1 ZINC000055143924 169328797 /nfs/dbraw/zinc/32/87/97/169328797.db2.gz NZDOGLUPYLZYMO-UHFFFAOYSA-N 1 0 205.323 1.081 10 0 BDAERO CCC[C@@H](C(=O)NCC=C(C)C)[NH+](C)C ZINC000191791723 169344489 /nfs/dbraw/zinc/34/44/89/169344489.db2.gz QSYLDEYLHIDYLS-NSHDSACASA-N 1 0 212.337 1.799 10 0 BDAERO c1cnc(OCCC[C@H]2CCCC[NH2+]2)nc1 ZINC000095092518 183483003 /nfs/dbraw/zinc/48/30/03/183483003.db2.gz ZOCASFSKLCUUHE-LLVKDONJSA-N 1 0 221.304 1.778 10 0 BDAERO c1cnc2[nH]c([C@H]3CCC[NH2+]C3)nc2c1 ZINC000044264151 183488118 /nfs/dbraw/zinc/48/81/18/183488118.db2.gz MVKDZTUDQNDEOE-QMMMGPOBSA-N 1 0 202.261 1.425 10 0 BDAERO CCC[C@@H](C(=O)Nc1cnns1)[NH+](C)C ZINC000189583199 169346264 /nfs/dbraw/zinc/34/62/64/169346264.db2.gz IIAFNZXIMYMBNS-ZETCQYMHSA-N 1 0 228.321 1.207 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783391 169349497 /nfs/dbraw/zinc/34/94/97/169349497.db2.gz AIELDSXGHHXMPI-NEPJUHHUSA-N 1 0 242.363 1.212 10 0 BDAERO CCC[C@@H](Cc1nc(COC)no1)[NH2+]CC ZINC000082430796 169387293 /nfs/dbraw/zinc/38/72/93/169387293.db2.gz INFWVKJRDPRDIN-VIFPVBQESA-N 1 0 227.308 1.537 10 0 BDAERO CCC[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)OC ZINC000356317499 169385942 /nfs/dbraw/zinc/38/59/42/169385942.db2.gz DXENGOWTEQOAIK-RYUDHWBXSA-N 1 0 214.353 1.533 10 0 BDAERO CCC[C@@H]([NH3+])[C@@H](CC)N(C)Cc1nccn1C ZINC000062251012 169393096 /nfs/dbraw/zinc/39/30/96/169393096.db2.gz FJIZKNRRRIHHHJ-VXGBXAGGSA-N 1 0 238.379 1.758 10 0 BDAERO CCC[C@@H]([NH3+])c1nnc2nc(C)cc(C)n21 ZINC000036830802 169394828 /nfs/dbraw/zinc/39/48/28/169394828.db2.gz ZVTQCMFRCIJAFK-SECBINFHSA-N 1 0 219.292 1.541 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000310027696 169417765 /nfs/dbraw/zinc/41/77/65/169417765.db2.gz QDPIRJQRPINFAR-NEPJUHHUSA-N 1 0 222.336 1.837 10 0 BDAERO c1csc(CCNC2=[NH+]CCS2)c1 ZINC000020586444 183515680 /nfs/dbraw/zinc/51/56/80/183515680.db2.gz ORBVLWDVKLXVAZ-UHFFFAOYSA-N 1 0 212.343 1.983 10 0 BDAERO c1nnc(-c2ccc(NC3CC[NH2+]CC3)cc2)o1 ZINC000038040752 183551145 /nfs/dbraw/zinc/55/11/45/183551145.db2.gz UNKOCDSQGVJBTH-UHFFFAOYSA-N 1 0 244.298 1.901 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000083339321 166648460 /nfs/dbraw/zinc/64/84/60/166648460.db2.gz RLGNMPMMFZUMBZ-WDEREUQCSA-N 1 0 240.347 1.995 10 0 BDAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000310027698 169526481 /nfs/dbraw/zinc/52/64/81/169526481.db2.gz QDPIRJQRPINFAR-RYUDHWBXSA-N 1 0 222.336 1.837 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000036379918 166668198 /nfs/dbraw/zinc/66/81/98/166668198.db2.gz HODGRZURVLFVKM-GUBZILKMSA-N 1 0 226.320 1.509 10 0 BDAERO CCC[C@]1(C(=O)Nc2cnn(C)c2)CC[NH2+]C1 ZINC000062890742 169555060 /nfs/dbraw/zinc/55/50/60/169555060.db2.gz BJNPZOOEKWWSPB-LBPRGKRZSA-N 1 0 236.319 1.138 10 0 BDAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000336906552 166683894 /nfs/dbraw/zinc/68/38/94/166683894.db2.gz XYRONSLWTGZGKW-WDEREUQCSA-N 1 0 245.363 1.320 10 0 BDAERO CC[C@@H]1CN(Cc2occc2C[NH2+]C)CCO1 ZINC000052477007 171094904 /nfs/dbraw/zinc/09/49/04/171094904.db2.gz WWLXNQVWMJIFHA-GFCCVEGCSA-N 1 0 238.331 1.610 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1Cc1cccc(OC)c1 ZINC000083361388 171100928 /nfs/dbraw/zinc/10/09/28/171100928.db2.gz JYZANBRXPKBDFX-CYBMUJFWSA-N 1 0 234.343 1.879 10 0 BDAERO CC(=O)CCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185454270 134380593 /nfs/dbraw/zinc/38/05/93/134380593.db2.gz PPNZYOQNDVQPNN-GFCCVEGCSA-N 1 0 238.331 1.052 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313072631 383835961 /nfs/dbraw/zinc/83/59/61/383835961.db2.gz XXKUGJHLFPGGCQ-NEPJUHHUSA-N 1 0 245.363 1.179 10 0 BDAERO CCOCC1(C)CCN(CC[NH3+])CC1 ZINC000409434867 383840438 /nfs/dbraw/zinc/84/04/38/383840438.db2.gz QZKPCACJYUHQQL-UHFFFAOYSA-N 1 0 200.326 1.084 10 0 BDAERO Cc1nc(C(F)(F)F)sc1CC[NH3+] ZINC000066351362 383860005 /nfs/dbraw/zinc/86/00/05/383860005.db2.gz YPJISCIMBMCJNE-UHFFFAOYSA-N 1 0 210.224 1.972 10 0 BDAERO [NH3+]C[C@@H](CN1CCOCC1)c1ccccc1 ZINC000035731267 383869831 /nfs/dbraw/zinc/86/98/31/383869831.db2.gz UJFZYGBICBCQMD-ZDUSSCGKSA-N 1 0 220.316 1.061 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1CCC(C(C)(F)F)CC1 ZINC000409433911 383830115 /nfs/dbraw/zinc/83/01/15/383830115.db2.gz ZGDBBJHQEJMYFC-SSDOTTSWSA-N 1 0 220.263 1.227 10 0 BDAERO C[C@H](C[NH2+][C@@H]1C[C@H]1CO)c1ccc(F)cc1 ZINC000309542705 383886809 /nfs/dbraw/zinc/88/68/09/383886809.db2.gz GFOVDJJSDJTNND-SUZMYJTESA-N 1 0 223.291 1.900 10 0 BDAERO CC(=O)Nc1ccc2[nH+]ccc(N)c2c1 ZINC000036437230 383901247 /nfs/dbraw/zinc/90/12/47/383901247.db2.gz GDTAAZPWMYXQJI-UHFFFAOYSA-N 1 0 201.229 1.775 10 0 BDAERO Cc1ccc(C)c(C(=O)CN2CC[C@H]([NH3+])C2)c1 ZINC000050242507 383986028 /nfs/dbraw/zinc/98/60/28/383986028.db2.gz SUJPZGUUCHIGQB-LBPRGKRZSA-N 1 0 232.327 1.519 10 0 BDAERO CC[C@]1(C(=O)NC[C@H](C)C(C)C)CC[NH2+]C1 ZINC000081060639 383988224 /nfs/dbraw/zinc/98/82/24/383988224.db2.gz BFGYTVCGHYHJEJ-AAEUAGOBSA-N 1 0 226.364 1.784 10 0 BDAERO CN[C@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000050270041 383988968 /nfs/dbraw/zinc/98/89/68/383988968.db2.gz OEZXGWAPWJPAIU-SECBINFHSA-N 1 0 202.660 1.698 10 0 BDAERO COC[C@]1(C(=O)NC2CCCCC2)CCC[NH2+]1 ZINC000643613818 383994266 /nfs/dbraw/zinc/99/42/66/383994266.db2.gz DLGGDQBJTQDBMT-ZDUSSCGKSA-N 1 0 240.347 1.204 10 0 BDAERO CC[C@H](C)NC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643614231 383994450 /nfs/dbraw/zinc/99/44/50/383994450.db2.gz OBTJUGLVMPAABY-NSHDSACASA-N 1 0 242.363 1.307 10 0 BDAERO COC[C@@]1(C(=O)N(C)c2ccccc2)CCC[NH2+]1 ZINC000643614243 383995254 /nfs/dbraw/zinc/99/52/54/383995254.db2.gz OVEDPJFBRWZZQA-CQSZACIVSA-N 1 0 248.326 1.418 10 0 BDAERO CCCCCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643613881 383995818 /nfs/dbraw/zinc/99/58/18/383995818.db2.gz FSYSPPRFWHWROM-LBPRGKRZSA-N 1 0 228.336 1.061 10 0 BDAERO COCCc1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000050329921 383999524 /nfs/dbraw/zinc/99/95/24/383999524.db2.gz IVBGELMDSJUFQT-ZETCQYMHSA-N 1 0 212.318 1.668 10 0 BDAERO [NH3+]Cc1ccc2nc(Br)[nH]c2c1 ZINC000089195006 383940421 /nfs/dbraw/zinc/94/04/21/383940421.db2.gz ZAPFBIFRWXYFFI-UHFFFAOYSA-N 1 0 226.077 1.784 10 0 BDAERO C[NH2+][C@@H](C)C(=O)c1ccc2[nH]ccc2c1 ZINC000089208854 383946527 /nfs/dbraw/zinc/94/65/27/383946527.db2.gz PXNJPKFIZYDFKB-QMMMGPOBSA-N 1 0 202.257 1.959 10 0 BDAERO CC(C)(CO)[C@@H]([NH3+])c1cnc2cc[nH]c2c1 ZINC000089221641 383949627 /nfs/dbraw/zinc/94/96/27/383949627.db2.gz OCLFGBXNHWWZNI-NSHDSACASA-N 1 0 219.288 1.581 10 0 BDAERO CC[NH+](CC)CCn1cc2[nH]cccc-2c1=O ZINC000089223386 383953054 /nfs/dbraw/zinc/95/30/54/383953054.db2.gz DFSNJQDDVNRFPJ-UHFFFAOYSA-N 1 0 233.315 1.379 10 0 BDAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C)cc1 ZINC000037207588 383955816 /nfs/dbraw/zinc/95/58/16/383955816.db2.gz NWOAOFXEZUZRNY-LLVKDONJSA-N 1 0 234.343 1.988 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000643614911 384016194 /nfs/dbraw/zinc/01/61/94/384016194.db2.gz PPYIMFFUIMUGSM-NSHDSACASA-N 1 0 234.299 1.170 10 0 BDAERO COC[C@@]1(C(=O)Nc2cccc(C)c2)CCC[NH2+]1 ZINC000643615017 384018780 /nfs/dbraw/zinc/01/87/80/384018780.db2.gz SYAKRGKXNIIGKP-CQSZACIVSA-N 1 0 248.326 1.702 10 0 BDAERO CC(C)CC[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643616559 384010791 /nfs/dbraw/zinc/01/07/91/384010791.db2.gz ZGSZLWCVPGWRLU-NEPJUHHUSA-N 1 0 242.363 1.163 10 0 BDAERO Cc1cccc(C)c1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643616907 384010954 /nfs/dbraw/zinc/01/09/54/384010954.db2.gz KUFFIVGSQDEUNC-GFCCVEGCSA-N 1 0 248.326 1.478 10 0 BDAERO C[C@H]([NH3+])Cc1csc([C@H]2CCCO2)n1 ZINC000165585046 384033315 /nfs/dbraw/zinc/03/33/15/384033315.db2.gz ZTRAEHIBQSBEGY-IONNQARKSA-N 1 0 212.318 1.884 10 0 BDAERO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090981386 384087504 /nfs/dbraw/zinc/08/75/04/384087504.db2.gz GCXVQOUPJZQXAX-JSGCOSHPSA-N 1 0 245.322 1.964 10 0 BDAERO CC[C@@H]1C[C@]([NH3+])(c2nccs2)CCO1 ZINC000069894675 384069151 /nfs/dbraw/zinc/06/91/51/384069151.db2.gz YGPWHWQWLGQOIB-SCZZXKLOSA-N 1 0 212.318 1.886 10 0 BDAERO CCc1cccc2c1N1[C@H](C2)C[NH2+]C[C@H]1C ZINC000039101938 384104479 /nfs/dbraw/zinc/10/44/79/384104479.db2.gz JSGBHHCKDRILGB-ZWNOBZJWSA-N 1 0 216.328 1.972 10 0 BDAERO [NH3+]CCOc1cncc(Br)c1 ZINC000070544260 384118145 /nfs/dbraw/zinc/11/81/45/384118145.db2.gz FVMFQZQFCQALJT-UHFFFAOYSA-N 1 0 217.066 1.182 10 0 BDAERO Cc1ccc([C@@](O)(C[NH3+])C(F)(F)F)o1 ZINC000039947687 384123673 /nfs/dbraw/zinc/12/36/73/384123673.db2.gz AGIOFBJGVWUOQS-ZETCQYMHSA-N 1 0 209.167 1.297 10 0 BDAERO CC(C)([NH3+])c1cn(C[C@@H]2CCC(F)(F)C2)nn1 ZINC000302378888 384153522 /nfs/dbraw/zinc/15/35/22/384153522.db2.gz IAVFDWXXHOJKLZ-MRVPVSSYSA-N 1 0 244.289 1.907 10 0 BDAERO O=C1NCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000642699380 384201076 /nfs/dbraw/zinc/20/10/76/384201076.db2.gz CIOSPSBTBBOBJJ-LLVKDONJSA-N 1 0 210.321 1.435 10 0 BDAERO [NH3+][C@@H]1CCCn2c(=O)c3ccc(Cl)cc3nc21 ZINC000072266480 384203675 /nfs/dbraw/zinc/20/36/75/384203675.db2.gz NRTLYTRELDJFEG-SECBINFHSA-N 1 0 249.701 1.844 10 0 BDAERO C[NH2+][C@H](C)[C@@H](C)N1CCOCC1(C)C ZINC000043916909 384198918 /nfs/dbraw/zinc/19/89/18/384198918.db2.gz XZPYUZRHIVGVOK-NXEZZACHSA-N 1 0 200.326 1.094 10 0 BDAERO N[C@@H](C[NH3+])c1cccc(OC(F)F)c1 ZINC000072200590 384199911 /nfs/dbraw/zinc/19/99/11/384199911.db2.gz WNLYXJJZGURMKD-QMMMGPOBSA-N 1 0 202.204 1.247 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccncc1 ZINC000282318762 384233782 /nfs/dbraw/zinc/23/37/82/384233782.db2.gz KXIXLXQLZRGPRV-UMNHJUIQSA-N 1 0 233.315 1.399 10 0 BDAERO CCSCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000119140700 384240061 /nfs/dbraw/zinc/24/00/61/384240061.db2.gz WECSILLLMXZBHT-VXGBXAGGSA-N 1 0 246.420 1.126 10 0 BDAERO COC[C@@]1(C(=O)N(C)CCC(C)C)CCC[NH2+]1 ZINC000643634960 384212233 /nfs/dbraw/zinc/21/22/33/384212233.db2.gz PBUGSCXEYXDWGC-CYBMUJFWSA-N 1 0 242.363 1.260 10 0 BDAERO Cc1cc(C)n(CC[N@H+]2CCC[C@@H](O)[C@@H]2C)n1 ZINC000335374950 384243030 /nfs/dbraw/zinc/24/30/30/384243030.db2.gz DIYPLFMBRPWHNF-QWHCGFSZSA-N 1 0 237.347 1.345 10 0 BDAERO O[C@H]1CCCC[C@H]1CNCc1csnn1 ZINC000082990935 384273833 /nfs/dbraw/zinc/27/38/33/384273833.db2.gz YWSBEDDEANDHOS-WPRPVWTQSA-N 1 0 227.333 1.179 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@H](CO)c1ccccc1 ZINC000158831639 384276144 /nfs/dbraw/zinc/27/61/44/384276144.db2.gz OKYGPRIRYIJVJY-OLZOCXBDSA-N 1 0 223.316 1.471 10 0 BDAERO CCC[C@@H](C(=O)N1CCO[C@H](CC)C1)[NH+](C)C ZINC000179394153 384285585 /nfs/dbraw/zinc/28/55/85/384285585.db2.gz YFCACFVCUURNMH-NEPJUHHUSA-N 1 0 242.363 1.354 10 0 BDAERO Cc1c(C[NH2+]CC2CC(F)(F)C2)cnn1C ZINC000291648352 384292908 /nfs/dbraw/zinc/29/29/08/384292908.db2.gz CHQNKIRSZUJOAO-UHFFFAOYSA-N 1 0 229.274 1.863 10 0 BDAERO CCC(C)(C)CC[N@@H+]1CCO[C@H](CO)C1 ZINC000426877595 384301460 /nfs/dbraw/zinc/30/14/60/384301460.db2.gz XYYOSEDHWFIATI-NSHDSACASA-N 1 0 215.337 1.506 10 0 BDAERO Clc1ccc(CNC[C@@H]2CC[NH2+]C2)cn1 ZINC000095069844 384335252 /nfs/dbraw/zinc/33/52/52/384335252.db2.gz VIYNONFVYLFDIT-SNVBAGLBSA-N 1 0 225.723 1.434 10 0 BDAERO CN(c1nccc(Cl)n1)C1CC[NH2+]CC1 ZINC000095070647 384336456 /nfs/dbraw/zinc/33/64/56/384336456.db2.gz LAHAWUWMFLJHFW-UHFFFAOYSA-N 1 0 226.711 1.318 10 0 BDAERO Cc1ccc(N(C)C2CC[NH2+]CC2)nc1 ZINC000095070639 384337065 /nfs/dbraw/zinc/33/70/65/384337065.db2.gz KQLADQYNECBVOB-UHFFFAOYSA-N 1 0 205.305 1.578 10 0 BDAERO Clc1nccc(COC[C@@H]2CCC[NH2+]2)n1 ZINC000095070310 384337513 /nfs/dbraw/zinc/33/75/13/384337513.db2.gz ZDWWQIOPYBFTJS-QMMMGPOBSA-N 1 0 227.695 1.399 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)C(=O)c1ccsc1 ZINC000095070761 384339451 /nfs/dbraw/zinc/33/94/51/384339451.db2.gz DYMSGJFUPKWYOU-LLVKDONJSA-N 1 0 238.356 1.962 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1nc2cccnc2[nH]1 ZINC000095070846 384339597 /nfs/dbraw/zinc/33/95/97/384339597.db2.gz QWYXVYYCKHLWCX-JTQLQIEISA-N 1 0 245.330 1.536 10 0 BDAERO CN(CC1CC[NH2+]CC1)c1ncccc1O ZINC000095071317 384340933 /nfs/dbraw/zinc/34/09/33/384340933.db2.gz ABBGUZWTAQKOND-UHFFFAOYSA-N 1 0 221.304 1.223 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1ccncc1 ZINC000095072286 384343097 /nfs/dbraw/zinc/34/30/97/384343097.db2.gz UHLNJSKGNKUQNR-NEPJUHHUSA-N 1 0 205.305 1.441 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1cc(Cl)ncn1 ZINC000095072419 384343115 /nfs/dbraw/zinc/34/31/15/384343115.db2.gz LHXZONAXTHRVLA-MRVPVSSYSA-N 1 0 226.711 1.448 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2cccnc2[nH]1 ZINC000095072244 384343129 /nfs/dbraw/zinc/34/31/29/384343129.db2.gz QYJNKHFFUDOQDT-IUCAKERBSA-N 1 0 231.303 1.640 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1ccnc(Cl)n1 ZINC000095072412 384343559 /nfs/dbraw/zinc/34/35/59/384343559.db2.gz UDFUIMQDBMOBPG-QMMMGPOBSA-N 1 0 226.711 1.448 10 0 BDAERO O=C(COCC1CC[NH2+]CC1)c1ccco1 ZINC000095072906 384345669 /nfs/dbraw/zinc/34/56/69/384345669.db2.gz DQRGBUDZIGMNAB-UHFFFAOYSA-N 1 0 223.272 1.479 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@@H]2CCO[C@H]2C)o1 ZINC000311734099 384345915 /nfs/dbraw/zinc/34/59/15/384345915.db2.gz DXCLPZFSWJYBTP-WCBMZHEXSA-N 1 0 210.277 1.558 10 0 BDAERO O=[S@](Cc1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000095073634 384348394 /nfs/dbraw/zinc/34/83/94/384348394.db2.gz RBOGTFXHDYMKQG-LRDDRELGSA-N 1 0 238.356 1.330 10 0 BDAERO O=[S@@](C[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000095073476 384348552 /nfs/dbraw/zinc/34/85/52/384348552.db2.gz DWPRWQSTMGDGMA-ZUZCIYMTSA-N 1 0 224.329 1.331 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CCN2CCCCC2)C1 ZINC000335586890 384352269 /nfs/dbraw/zinc/35/22/69/384352269.db2.gz VUVRPMNTMUKYDT-STQMWFEESA-N 1 0 226.364 1.175 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCC(=O)c1nccs1 ZINC000095077417 384352349 /nfs/dbraw/zinc/35/23/49/384352349.db2.gz PAYYNBKAOYZDQX-IUCAKERBSA-N 1 0 239.344 1.185 10 0 BDAERO Cc1cnn(CC[N@H+]2CCC[C@H](O)[C@H]2C)c1 ZINC000335596259 384364187 /nfs/dbraw/zinc/36/41/87/384364187.db2.gz HBOYGFARCFGOBS-NEPJUHHUSA-N 1 0 223.320 1.037 10 0 BDAERO C([NH2+][C@H]1CCSC1)[C@@H]1CC12CCOCC2 ZINC000335602591 384372667 /nfs/dbraw/zinc/37/26/67/384372667.db2.gz NZFPNRUAVMXZOC-QWRGUYRKSA-N 1 0 227.373 1.898 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cccc(F)c1F ZINC000335555487 384323429 /nfs/dbraw/zinc/32/34/29/384323429.db2.gz WAPPAMIZNDZEDM-KCJUWKMLSA-N 1 0 226.270 1.886 10 0 BDAERO Cc1cc(N2CCC[C@H]([NH3+])C2)nc(Cl)n1 ZINC000095068825 384332452 /nfs/dbraw/zinc/33/24/52/384332452.db2.gz LWQFPACPICJTRM-QMMMGPOBSA-N 1 0 226.711 1.366 10 0 BDAERO Cc1ccnc([S@](=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000095069226 384332582 /nfs/dbraw/zinc/33/25/82/384332582.db2.gz QIVZLAQAZARDBG-ZBEGNZNMSA-N 1 0 238.356 1.497 10 0 BDAERO Clc1ncc(CN2CC[NH2+]CC2)c(Cl)n1 ZINC000095070122 384333823 /nfs/dbraw/zinc/33/38/23/384333823.db2.gz GARXSQQHZLCERV-UHFFFAOYSA-N 1 0 247.129 1.189 10 0 BDAERO Ic1cccc2c[nH+]cn21 ZINC000095761465 384394956 /nfs/dbraw/zinc/39/49/56/384394956.db2.gz CJFZZWQBDXNDND-UHFFFAOYSA-N 1 0 244.035 1.939 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1F ZINC000095829314 384399900 /nfs/dbraw/zinc/39/99/00/384399900.db2.gz OIUJTHGEWAFCET-ZJUUUORDSA-N 1 0 241.237 1.441 10 0 BDAERO COc1cc(N2CCC2)[nH+]c2c1NCCC2 ZINC000095908431 384404794 /nfs/dbraw/zinc/40/47/94/384404794.db2.gz VGTXLEFMBRMEIZ-UHFFFAOYSA-N 1 0 219.288 1.658 10 0 BDAERO [NH3+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000095883851 384405863 /nfs/dbraw/zinc/40/58/63/384405863.db2.gz LNOLHXYXVNUTTH-UHFFFAOYSA-N 1 0 220.194 1.524 10 0 BDAERO [NH3+]CCN1CC[C@H](c2c[nH]nn2)c2ccccc21 ZINC000616675713 384410929 /nfs/dbraw/zinc/41/09/29/384410929.db2.gz PCVJVEXJLDCFPS-JTQLQIEISA-N 1 0 243.314 1.105 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccccn1 ZINC000335642585 384415625 /nfs/dbraw/zinc/41/56/25/384415625.db2.gz FXQCDWZSVHZABQ-PWSUYJOCSA-N 1 0 205.305 1.312 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOCC1CC1 ZINC000175343241 384424149 /nfs/dbraw/zinc/42/41/49/384424149.db2.gz CPVNQDFIFOHYJS-CQSZACIVSA-N 1 0 240.391 1.829 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CCCOC ZINC000175343776 384424882 /nfs/dbraw/zinc/42/48/82/384424882.db2.gz MAOQKYPANDIDAO-LBPRGKRZSA-N 1 0 214.353 1.439 10 0 BDAERO CC[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000238259860 384377108 /nfs/dbraw/zinc/37/71/08/384377108.db2.gz SGMVMIKNEBOTNH-DBIOUOCHSA-N 1 0 210.321 1.513 10 0 BDAERO Cc1c[nH+]ccc1NC[C@H]1CCC[C@H]1O ZINC000084232596 384382635 /nfs/dbraw/zinc/38/26/35/384382635.db2.gz YIOTZWWJNOGGBX-ZYHUDNBSSA-N 1 0 206.289 1.963 10 0 BDAERO COC(=O)/C=C1\CC[N@H+](Cc2ccccc2)C1 ZINC000095698631 384388206 /nfs/dbraw/zinc/38/82/06/384388206.db2.gz LTSBOWBMEAOMDI-UKTHLTGXSA-N 1 0 231.295 1.992 10 0 BDAERO COC(=O)c1cccnc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000305996115 384463730 /nfs/dbraw/zinc/46/37/30/384463730.db2.gz UINZEEGVTCZJIJ-QWRGUYRKSA-N 1 0 248.326 1.956 10 0 BDAERO Cn1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)n1 ZINC000096867620 384482990 /nfs/dbraw/zinc/48/29/90/384482990.db2.gz BLNGHSRKUNDPOH-ZYHUDNBSSA-N 1 0 223.320 1.061 10 0 BDAERO C[NH2+][C@H]1CCCCCC[C@H]1S(C)(=O)=O ZINC000054930203 384511659 /nfs/dbraw/zinc/51/16/59/384511659.db2.gz LNWFNWKTAZRONK-VHSXEESVSA-N 1 0 219.350 1.342 10 0 BDAERO COc1c(C[NH2+]C[C@H]2C[C@@H]2C)c(C)nn1C ZINC000136357322 384491400 /nfs/dbraw/zinc/49/14/00/384491400.db2.gz VJXYGAXPVMVQEN-WCBMZHEXSA-N 1 0 223.320 1.483 10 0 BDAERO [NH3+]Cc1ccc(C(=O)Nc2ncccn2)cc1 ZINC000019508681 384526084 /nfs/dbraw/zinc/52/60/84/384526084.db2.gz VQOGNEOAMNNMPW-UHFFFAOYSA-N 1 0 228.255 1.188 10 0 BDAERO CC[C@H](C)[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000151016209 384530948 /nfs/dbraw/zinc/53/09/48/384530948.db2.gz SXRMZESPJNFIHC-GXSJLCMTSA-N 1 0 207.321 1.894 10 0 BDAERO CCn1cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cn1 ZINC000334746208 384532724 /nfs/dbraw/zinc/53/27/24/384532724.db2.gz PAZYXJNEQMXOCM-JQWIXIFHSA-N 1 0 223.320 1.106 10 0 BDAERO CCN(CC)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629303 384549875 /nfs/dbraw/zinc/54/98/75/384549875.db2.gz IJAGRXAFWBMFSS-AVGNSLFASA-N 1 0 240.391 1.731 10 0 BDAERO Cc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)on1 ZINC000085637304 384550727 /nfs/dbraw/zinc/55/07/27/384550727.db2.gz OKEONCRZWKYYLH-SRVKXCTJSA-N 1 0 236.315 1.886 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3ncnc32)[C@H]1C ZINC000309747774 384576579 /nfs/dbraw/zinc/57/65/79/384576579.db2.gz GBLKUPUFLMRUAQ-YTWAJWBKSA-N 1 0 220.320 1.747 10 0 BDAERO C[C@H]([NH2+]CC(N)=O)C12CC3CC(CC(C3)C1)C2 ZINC000022141373 384580145 /nfs/dbraw/zinc/58/01/45/384580145.db2.gz DTUNJQBSXFBVAB-BRZBPJHZSA-N 1 0 236.359 1.666 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1nc2ccccc2n1C ZINC000335898796 384588407 /nfs/dbraw/zinc/58/84/07/384588407.db2.gz XAKSVTPTAMCTBI-BDAKNGLRSA-N 1 0 218.304 1.143 10 0 BDAERO CC[C@@H]1C[N@H+](CCSC)CCN1CCOC ZINC000171630764 384617413 /nfs/dbraw/zinc/61/74/13/384617413.db2.gz NAWGFYRCIZIUKL-GFCCVEGCSA-N 1 0 246.420 1.392 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H](C)CC(C)(C)OC ZINC000020524745 384622081 /nfs/dbraw/zinc/62/20/81/384622081.db2.gz KBQCZHCLPZZVFO-UWVGGRQHSA-N 1 0 203.326 1.551 10 0 BDAERO CCc1ccc(C[NH2+]CC2CC(O)C2)o1 ZINC000084446742 384624914 /nfs/dbraw/zinc/62/49/14/384624914.db2.gz PIJFWEIULBVQQN-UHFFFAOYSA-N 1 0 209.289 1.703 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(Cl)cn1 ZINC000306747715 384672914 /nfs/dbraw/zinc/67/29/14/384672914.db2.gz JJBDPMBKRANIDL-APPZFPTMSA-N 1 0 211.696 1.661 10 0 BDAERO CC[C@@H]([NH3+])CSc1nc(C)cc(C)n1 ZINC000081877933 384640135 /nfs/dbraw/zinc/64/01/35/384640135.db2.gz IIHLYJYPTWDWSY-SECBINFHSA-N 1 0 211.334 1.923 10 0 BDAERO C[C@]([NH3+])(CO)[C@@H]1CCc2cc(O)ccc2C1 ZINC000082048713 384644654 /nfs/dbraw/zinc/64/46/54/384644654.db2.gz ROQUHQOMQGBKNK-YPMHNXCESA-N 1 0 221.300 1.207 10 0 BDAERO Cc1ccc(CN[C@@H]2CCC[NH2+]CC2)nc1C ZINC000313791487 384660370 /nfs/dbraw/zinc/66/03/70/384660370.db2.gz CTUXXIJXHUTUPQ-CYBMUJFWSA-N 1 0 233.359 1.930 10 0 BDAERO Cc1occc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335913223 384678361 /nfs/dbraw/zinc/67/83/61/384678361.db2.gz ZIPQKAKALNEYDG-XCBNKYQSSA-N 1 0 208.261 1.150 10 0 BDAERO Cc1ccc(CCC[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185136101 384685651 /nfs/dbraw/zinc/68/56/51/384685651.db2.gz ZEPZPHXGWNBJNU-HUUCEWRRSA-N 1 0 249.354 1.355 10 0 BDAERO Clc1ccc(OC[C@H]2CCCC[NH2+]2)nn1 ZINC000051883344 384697183 /nfs/dbraw/zinc/69/71/83/384697183.db2.gz NFDNJZWFODMTRB-MRVPVSSYSA-N 1 0 227.695 1.651 10 0 BDAERO Cc1ccnc(SC[C@H]2CC[NH2+]C2)n1 ZINC000051891198 384700314 /nfs/dbraw/zinc/70/03/14/384700314.db2.gz LDNGGDFGSNAOJD-VIFPVBQESA-N 1 0 209.318 1.487 10 0 BDAERO Cc1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C)cn1 ZINC000335363289 384700996 /nfs/dbraw/zinc/70/09/96/384700996.db2.gz PVBXSNVMODNUPE-YPMHNXCESA-N 1 0 220.316 1.735 10 0 BDAERO CN(Cc1ccncc1)C[C@H]1CC[NH2+]C1 ZINC000051889955 384701985 /nfs/dbraw/zinc/70/19/85/384701985.db2.gz YBQGKZRRHLEIHW-LBPRGKRZSA-N 1 0 205.305 1.123 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000309901952 384702678 /nfs/dbraw/zinc/70/26/78/384702678.db2.gz IEDHFMJYSKNFSK-CMPLNLGQSA-N 1 0 221.304 1.375 10 0 BDAERO C[C@@H](C[NH3+])Nc1ccc2ccccc2n1 ZINC000082576510 384774938 /nfs/dbraw/zinc/77/49/38/384774938.db2.gz ODBNPMDHFDXYQG-VIFPVBQESA-N 1 0 201.273 1.994 10 0 BDAERO CCN(C)C(=O)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309983164 384761896 /nfs/dbraw/zinc/76/18/96/384761896.db2.gz XCLQAMZKPQEXBD-GHMZBOCLSA-N 1 0 230.327 1.583 10 0 BDAERO COc1ccccc1NC(=O)C1([NH3+])CC1 ZINC000083833779 384772390 /nfs/dbraw/zinc/77/23/90/384772390.db2.gz CFRJXLZHSSJVQP-UHFFFAOYSA-N 1 0 206.245 1.125 10 0 BDAERO CCN(CC)C(=O)O[C@@H]1CCC[NH2+]C1 ZINC000086229708 384772357 /nfs/dbraw/zinc/77/23/57/384772357.db2.gz IFYMQAFTYFNVMX-SECBINFHSA-N 1 0 200.282 1.217 10 0 BDAERO Cc1ccc([C@@H]([NH3+])CO)c(Br)c1 ZINC000072198653 384816058 /nfs/dbraw/zinc/81/60/58/384816058.db2.gz NMOXDSQWTAPHGY-VIFPVBQESA-N 1 0 230.105 1.750 10 0 BDAERO CC[C@H]([NH2+][C@@H](C)CC(N)=O)C(C)(C)C ZINC000308572576 384823248 /nfs/dbraw/zinc/82/32/48/384823248.db2.gz CMIPQPNZYUFBNQ-IUCAKERBSA-N 1 0 200.326 1.665 10 0 BDAERO CC[C@@H](C)CN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643688814 384824966 /nfs/dbraw/zinc/82/49/66/384824966.db2.gz KYBKJESNUWVRDH-DGCLKSJQSA-N 1 0 242.363 1.260 10 0 BDAERO C[C@@H](CCC1CC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000398179781 384830342 /nfs/dbraw/zinc/83/03/42/384830342.db2.gz SDBPMFAHKHDVHY-JFGNBEQYSA-N 1 0 224.348 1.537 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cncn1C ZINC000105436369 384783041 /nfs/dbraw/zinc/78/30/41/384783041.db2.gz WGIXYYRGRJTGGF-GFCCVEGCSA-N 1 0 238.379 1.486 10 0 BDAERO C[C@H](CO)CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300414596 384783774 /nfs/dbraw/zinc/78/37/74/384783774.db2.gz MYHVGWIIAKOSKA-WUHRBBMRSA-N 1 0 241.375 1.798 10 0 BDAERO [NH3+]Cc1nnc(-c2cccc(Cl)c2)[nH]1 ZINC000061843829 384788656 /nfs/dbraw/zinc/78/86/56/384788656.db2.gz OYUVQJXQWWNMOO-UHFFFAOYSA-N 1 0 208.652 1.584 10 0 BDAERO CC[C@@H](COC)[NH2+][C@H]1CCc2nccn2C1 ZINC000310022271 384790895 /nfs/dbraw/zinc/79/08/95/384790895.db2.gz NYEYBAFWLINVGF-QWRGUYRKSA-N 1 0 223.320 1.213 10 0 BDAERO C[C@H]([NH2+]C(CO)CO)c1cccc(Cl)c1 ZINC000083692482 384792160 /nfs/dbraw/zinc/79/21/60/384792160.db2.gz APOPQRSAGJPDNV-QMMMGPOBSA-N 1 0 229.707 1.344 10 0 BDAERO Cc1scc(C(=O)NC[C@@H]2CC[NH2+]C2)c1C ZINC000335066408 384792919 /nfs/dbraw/zinc/79/29/19/384792919.db2.gz AMNBUCQUOJFMJX-SNVBAGLBSA-N 1 0 238.356 1.704 10 0 BDAERO C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)CC(F)F ZINC000648193787 384808063 /nfs/dbraw/zinc/80/80/63/384808063.db2.gz KTNIFBPVOFNUBF-VHSXEESVSA-N 1 0 248.317 1.926 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])CC(F)F ZINC000648193648 384808834 /nfs/dbraw/zinc/80/88/34/384808834.db2.gz HCNDROGJWVQTGQ-GUBZILKMSA-N 1 0 248.317 1.769 10 0 BDAERO CC[N@H+](C[C@H](C)OC)C[C@](C)(O)CC ZINC000361558401 384812913 /nfs/dbraw/zinc/81/29/13/384812913.db2.gz HLWZAZJZZISEDI-WDEREUQCSA-N 1 0 203.326 1.504 10 0 BDAERO [NH3+][C@@H](CO)c1cc(C(F)(F)F)ccc1F ZINC000072198444 384815110 /nfs/dbraw/zinc/81/51/10/384815110.db2.gz AOOXYSDYIWWUNE-QMMMGPOBSA-N 1 0 223.169 1.837 10 0 BDAERO CCN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000101793712 384870066 /nfs/dbraw/zinc/87/00/66/384870066.db2.gz OZVFSIPDYSYUSM-LLVKDONJSA-N 1 0 229.368 1.624 10 0 BDAERO C[Si](C)(C)C[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000306309956 384874478 /nfs/dbraw/zinc/87/44/78/384874478.db2.gz LWOCONPVDOWIAN-RKDXNWHRSA-N 1 0 205.349 1.269 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](Cc2cccnc2)C1 ZINC000334747689 384890131 /nfs/dbraw/zinc/89/01/31/384890131.db2.gz VILXUTIRKLWOLQ-JQWIXIFHSA-N 1 0 206.289 1.284 10 0 BDAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CC=C(C)C ZINC000186380515 384839555 /nfs/dbraw/zinc/83/95/55/384839555.db2.gz CEQPMHRCKCIHPC-GFCCVEGCSA-N 1 0 211.305 1.980 10 0 BDAERO C1CO[C@@H](c2n[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000072236834 384844429 /nfs/dbraw/zinc/84/44/29/384844429.db2.gz UZDPKYSFCQOLPF-SECBINFHSA-N 1 0 222.292 1.123 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccccc2C)C1 ZINC000310153834 384859863 /nfs/dbraw/zinc/85/98/63/384859863.db2.gz PSSUBKVEFJJQCB-ZIAGYGMSSA-N 1 0 235.327 1.577 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000127318099 384860463 /nfs/dbraw/zinc/86/04/63/384860463.db2.gz JOFBMSWKTKKEIF-PSASIEDQSA-N 1 0 241.360 1.476 10 0 BDAERO CC/C=C/CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309836277 384864122 /nfs/dbraw/zinc/86/41/22/384864122.db2.gz BGOHNBWBGDIHEF-MVIFTORASA-N 1 0 224.348 1.990 10 0 BDAERO CC(C)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909804 384889440 /nfs/dbraw/zinc/88/94/40/384889440.db2.gz CQXMMQFENCFMPG-LBPRGKRZSA-N 1 0 234.347 1.786 10 0 BDAERO COc1cccc(C[NH2+]CC2CC(O)C2)c1 ZINC000084447324 384869432 /nfs/dbraw/zinc/86/94/32/384869432.db2.gz BGWZUSVQXVLMAV-UHFFFAOYSA-N 1 0 221.300 1.556 10 0 BDAERO Cc1noc(C)c1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000334747694 384891091 /nfs/dbraw/zinc/89/10/91/384891091.db2.gz VMMSMKNOMGGTCL-GZMMTYOYSA-N 1 0 224.304 1.494 10 0 BDAERO COC(=O)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923695 384892063 /nfs/dbraw/zinc/89/20/63/384892063.db2.gz BLBUPBLNLMFQSK-NSHDSACASA-N 1 0 237.303 1.001 10 0 BDAERO COc1cc(C)nc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000164161881 384933523 /nfs/dbraw/zinc/93/35/23/384933523.db2.gz XXGRSBYBUGAOLH-JTQLQIEISA-N 1 0 236.319 1.348 10 0 BDAERO C[C@@H]([NH3+])CCNCc1cc(F)ccc1F ZINC000258820057 384940473 /nfs/dbraw/zinc/94/04/73/384940473.db2.gz UDMLZRGFUWMUOR-MRVPVSSYSA-N 1 0 214.259 1.792 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccns1 ZINC000404280983 384964931 /nfs/dbraw/zinc/96/49/31/384964931.db2.gz DYAPSEYCXDBECE-QWRGUYRKSA-N 1 0 237.372 1.812 10 0 BDAERO COC(C)(C)CN(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000404304604 384968645 /nfs/dbraw/zinc/96/86/45/384968645.db2.gz JABZITGUTCEAPM-WDEREUQCSA-N 1 0 242.363 1.258 10 0 BDAERO [NH3+]CCc1cccc(-c2ncnc3[nH]cnc32)c1 ZINC000014961017 384983900 /nfs/dbraw/zinc/98/39/00/384983900.db2.gz QYNRJWIXMLJYAG-UHFFFAOYSA-N 1 0 239.282 1.521 10 0 BDAERO CCc1cnc(CN2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000226201585 384985187 /nfs/dbraw/zinc/98/51/87/384985187.db2.gz UBLQQJNVCAAXKU-GFCCVEGCSA-N 1 0 249.358 1.907 10 0 BDAERO Cc1noc(CCC[NH2+][C@@H]2CCO[C@H]2C)n1 ZINC000129418071 384993986 /nfs/dbraw/zinc/99/39/86/384993986.db2.gz PTOUMQDTPRBEAR-WCBMZHEXSA-N 1 0 225.292 1.078 10 0 BDAERO CC[NH+](CC)CCNc1cc(C)c(C)nn1 ZINC000302822871 385009525 /nfs/dbraw/zinc/00/95/25/385009525.db2.gz TYNDAQWFTNAFMA-UHFFFAOYSA-N 1 0 222.336 1.847 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])C(=S)N1CCCC1 ZINC000086860296 385054993 /nfs/dbraw/zinc/05/49/93/385054993.db2.gz PAAWYGFBSCGGHY-BDAKNGLRSA-N 1 0 200.351 1.783 10 0 BDAERO Cc1ccc(F)c(CNC[C@H]2CC[NH2+]C2)c1 ZINC000398339421 385055478 /nfs/dbraw/zinc/05/54/78/385055478.db2.gz FWJRDMKCNACAJS-NSHDSACASA-N 1 0 222.307 1.833 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)OC ZINC000152298004 385064519 /nfs/dbraw/zinc/06/45/19/385064519.db2.gz ZVJPFGJDFONLNZ-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+]C1CCCC1)C2 ZINC000377496449 385073448 /nfs/dbraw/zinc/07/34/48/385073448.db2.gz MBULKGPJNKGBSL-LLVKDONJSA-N 1 0 205.305 1.730 10 0 BDAERO COc1c(C[NH2+]C2CC(C)C2)c(C)nn1C ZINC000128867032 385083264 /nfs/dbraw/zinc/08/32/64/385083264.db2.gz UNEHUIHNXUKTLS-UHFFFAOYSA-N 1 0 223.320 1.625 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000340232917 385038248 /nfs/dbraw/zinc/03/82/48/385038248.db2.gz UGSIBMDOVRVLBY-YYJSSNLHSA-N 1 0 245.388 1.588 10 0 BDAERO C[NH2+][C@H](C)c1nnc(-c2cscn2)o1 ZINC000062362150 385138673 /nfs/dbraw/zinc/13/86/73/385138673.db2.gz GQRKDFYVXJWWHC-RXMQYKEDSA-N 1 0 210.262 1.474 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CC2CCCC2)C1 ZINC000308827446 385193445 /nfs/dbraw/zinc/19/34/45/385193445.db2.gz IJHDYAUMEYSXPN-VXGBXAGGSA-N 1 0 213.321 1.258 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000308834499 385200592 /nfs/dbraw/zinc/20/05/92/385200592.db2.gz HOZFMIRTPXCUHN-QRTLGDNMSA-N 1 0 205.305 1.796 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)COc1ccccc1C ZINC000647033064 385167299 /nfs/dbraw/zinc/16/72/99/385167299.db2.gz LOHYMQVMVIKJPF-NSHDSACASA-N 1 0 236.315 1.098 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000308837283 385211222 /nfs/dbraw/zinc/21/12/22/385211222.db2.gz WVCVYMDURMYFKD-GHMZBOCLSA-N 1 0 212.337 1.095 10 0 BDAERO c1nc2c([nH]1)[C@@H]([C@H]1CCSC1)[NH2+]CC2 ZINC000259321058 385211572 /nfs/dbraw/zinc/21/15/72/385211572.db2.gz JSISDOXBRLRWNR-IONNQARKSA-N 1 0 209.318 1.350 10 0 BDAERO Fc1ccc(-c2nnn3c2C[NH2+]CC3)cc1 ZINC000238564335 385256652 /nfs/dbraw/zinc/25/66/52/385256652.db2.gz XURISJBJOBEBOP-UHFFFAOYSA-N 1 0 218.235 1.187 10 0 BDAERO C[C@H]1CC(C[NH2+]CC2(O)CCC2)C[C@H](C)O1 ZINC000564864415 385227074 /nfs/dbraw/zinc/22/70/74/385227074.db2.gz QELMWUPBSJFYHK-QWRGUYRKSA-N 1 0 227.348 1.695 10 0 BDAERO CC(C)[C@H]1C[NH2+]CCN1CC(F)(F)F ZINC000062570253 385229792 /nfs/dbraw/zinc/22/97/92/385229792.db2.gz YDMDDJRATAEBEE-MRVPVSSYSA-N 1 0 210.243 1.479 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000311068997 385302315 /nfs/dbraw/zinc/30/23/15/385302315.db2.gz CRIQDRVIYRNCJE-HUUCEWRRSA-N 1 0 249.354 1.885 10 0 BDAERO [NH3+]Cc1cn(-c2ccc(F)c(F)c2)nn1 ZINC000050224125 385311613 /nfs/dbraw/zinc/31/16/13/385311613.db2.gz RGLBEXRIDHZKIM-UHFFFAOYSA-N 1 0 210.187 1.004 10 0 BDAERO [NH3+][C@H]1CCN(CC(=O)c2ccc(F)cc2)C1 ZINC000050242391 385314503 /nfs/dbraw/zinc/31/45/03/385314503.db2.gz PVFHFDXGSMIMKH-NSHDSACASA-N 1 0 222.263 1.041 10 0 BDAERO COC[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000308963394 385316925 /nfs/dbraw/zinc/31/69/25/385316925.db2.gz SUOOEHNBRKTPET-HBNTYKKESA-N 1 0 215.337 1.815 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000052395691 385316903 /nfs/dbraw/zinc/31/69/03/385316903.db2.gz RBDLFKZFKKDLOR-MRVPVSSYSA-N 1 0 224.329 1.955 10 0 BDAERO COC[C@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000308911958 385286721 /nfs/dbraw/zinc/28/67/21/385286721.db2.gz DXZLYDWWGUTAIY-QWRGUYRKSA-N 1 0 213.321 1.428 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000409430988 385329785 /nfs/dbraw/zinc/32/97/85/385329785.db2.gz YBYURUFTPQWKQB-CMPLNLGQSA-N 1 0 233.315 1.482 10 0 BDAERO O=C([C@H]1CCCC[NH2+]1)N1CC[C@H](C(F)F)C1 ZINC000409424488 385332099 /nfs/dbraw/zinc/33/20/99/385332099.db2.gz BZRMBLPPYWOURU-DTWKUNHWSA-N 1 0 232.274 1.242 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)C1CCC1 ZINC000308991587 385336338 /nfs/dbraw/zinc/33/63/38/385336338.db2.gz LGWWHMOQVJKAIW-ATZCPNFKSA-N 1 0 210.321 1.432 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC000158096015 385342667 /nfs/dbraw/zinc/34/26/67/385342667.db2.gz OGEBPBWKESMVEE-ZDUSSCGKSA-N 1 0 249.358 1.664 10 0 BDAERO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000131967286 385370034 /nfs/dbraw/zinc/37/00/34/385370034.db2.gz MYVOYUKKRDMWCW-CYBMUJFWSA-N 1 0 245.330 1.789 10 0 BDAERO CCC[C@@H](C(=O)N[C@H](C)C1CC1)[NH+](C)C ZINC000179267428 385372911 /nfs/dbraw/zinc/37/29/11/385372911.db2.gz RSQXETBNFQMQPF-KOLCDFICSA-N 1 0 212.337 1.631 10 0 BDAERO COC[C@]12CN(CC(=[NH2+])NO)C[C@@H]1CCCC2 ZINC000409428910 385326763 /nfs/dbraw/zinc/32/67/63/385326763.db2.gz GYSWKIOTPULINP-JQWIXIFHSA-N 1 0 241.335 1.081 10 0 BDAERO COc1ccc2c(c1)CCC1(C[NH2+]C1)O2 ZINC000409428818 385327554 /nfs/dbraw/zinc/32/75/54/385327554.db2.gz AVFHCWDGQAHDED-UHFFFAOYSA-N 1 0 205.257 1.362 10 0 BDAERO COCc1noc([C@H](C)[NH2+][C@@H](C)C(C)C)n1 ZINC000181325482 385407190 /nfs/dbraw/zinc/40/71/90/385407190.db2.gz NPKKGRLEXPGROJ-IUCAKERBSA-N 1 0 227.308 1.911 10 0 BDAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc(Cl)cn1 ZINC000165727568 385411939 /nfs/dbraw/zinc/41/19/39/385411939.db2.gz ZWYHHKFZKKWCLK-RNFRBKRXSA-N 1 0 214.700 1.668 10 0 BDAERO COC(=O)[C@@H](N)[C@@H](C)Oc1cccc(Cl)c1 ZINC000169726779 385418917 /nfs/dbraw/zinc/41/89/17/385418917.db2.gz GOSFVTKSSLGKOA-XCBNKYQSSA-N 1 0 243.690 1.608 10 0 BDAERO COC(=O)[C@@H](N)[C@H](C)Oc1cccc(F)c1 ZINC000169726772 385418962 /nfs/dbraw/zinc/41/89/62/385418962.db2.gz HSSWJODBLPYXDM-XVKPBYJWSA-N 1 0 227.235 1.093 10 0 BDAERO CC[C@H]([NH2+]CC[C@H](O)COC)C(C)(C)C ZINC000309164959 385445495 /nfs/dbraw/zinc/44/54/95/385445495.db2.gz IQEQMGZCWMLVPZ-QWRGUYRKSA-N 1 0 217.353 1.798 10 0 BDAERO Cn1c(Cl)cnc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000281795075 385447281 /nfs/dbraw/zinc/44/72/81/385447281.db2.gz UVMBSVNZMIBNPU-QMMMGPOBSA-N 1 0 245.754 1.570 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2cccc(F)c2N)C1 ZINC000156381380 385449373 /nfs/dbraw/zinc/44/93/73/385449373.db2.gz WDORVBMVTCZPQU-LLVKDONJSA-N 1 0 237.322 1.544 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ccccn2)C1 ZINC000170864376 385450693 /nfs/dbraw/zinc/45/06/93/385450693.db2.gz GCQOIXLZGDHZGW-CYBMUJFWSA-N 1 0 247.342 1.177 10 0 BDAERO Cc1ccoc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170857263 385450738 /nfs/dbraw/zinc/45/07/38/385450738.db2.gz WPDFVPCQFAKVRF-SNVBAGLBSA-N 1 0 222.288 1.364 10 0 BDAERO C=Cn1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)cn1 ZINC000194344424 385431063 /nfs/dbraw/zinc/43/10/63/385431063.db2.gz XPTLYAROLRUGIN-PWSUYJOCSA-N 1 0 221.304 1.641 10 0 BDAERO C=Cn1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)cn1 ZINC000194344438 385432066 /nfs/dbraw/zinc/43/20/66/385432066.db2.gz XPTLYAROLRUGIN-CMPLNLGQSA-N 1 0 221.304 1.641 10 0 BDAERO C[NH2+][C@@H]1CCN(c2ncc(Cl)s2)C1 ZINC000642989690 385491416 /nfs/dbraw/zinc/49/14/16/385491416.db2.gz IYBNFDBDDKEPGA-ZCFIWIBFSA-N 1 0 217.725 1.595 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCC(C)(C)C)C1 ZINC000309243213 385497211 /nfs/dbraw/zinc/49/72/11/385497211.db2.gz BGOIZBOPQPLVAW-RYUDHWBXSA-N 1 0 229.364 1.894 10 0 BDAERO CC(C)[NH2+]CCCNc1ccncc1Cl ZINC000643003132 385499403 /nfs/dbraw/zinc/49/94/03/385499403.db2.gz PBBAUIDAYISDFH-UHFFFAOYSA-N 1 0 227.739 1.957 10 0 BDAERO CC(C)[NH2+]CCCNc1ncnc2c1CCCC2 ZINC000643003108 385499860 /nfs/dbraw/zinc/49/98/60/385499860.db2.gz IOVUXRWODDKOHJ-UHFFFAOYSA-N 1 0 248.374 1.577 10 0 BDAERO OC[C@]1(c2ccc(C(F)(F)F)cc2)CC[NH2+]C1 ZINC000257924477 385517805 /nfs/dbraw/zinc/51/78/05/385517805.db2.gz JQGWPWLRMBCNJP-NSHDSACASA-N 1 0 245.244 1.929 10 0 BDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000106454499 385509973 /nfs/dbraw/zinc/50/99/73/385509973.db2.gz NXBBFLSFUVBVNP-CYBMUJFWSA-N 1 0 232.327 1.438 10 0 BDAERO Cn1cc([C@@H]2CCN(Cc3cscn3)C2)cn1 ZINC000172053172 385544584 /nfs/dbraw/zinc/54/45/84/385544584.db2.gz JLJHBTLUODBBRE-SNVBAGLBSA-N 1 0 248.355 1.866 10 0 BDAERO CC(C)(C)OC(=O)NCC[C@@H]1COCCC[NH2+]1 ZINC000257991285 385522397 /nfs/dbraw/zinc/52/23/97/385522397.db2.gz KSXLIXIQUMRPBU-SNVBAGLBSA-N 1 0 244.335 1.280 10 0 BDAERO CCc1cc(N2CCC(C)([NH3+])CC2)nc(C)n1 ZINC000643029184 385524199 /nfs/dbraw/zinc/52/41/99/385524199.db2.gz LAZPITANYFBOSJ-UHFFFAOYSA-N 1 0 234.347 1.665 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CC1(C)C ZINC000309373054 385555513 /nfs/dbraw/zinc/55/55/13/385555513.db2.gz CGLMQAXKVMUPGO-SDDRHHMPSA-N 1 0 226.364 1.341 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1nc2c(s1)CCCC2 ZINC000054076648 385594468 /nfs/dbraw/zinc/59/44/68/385594468.db2.gz XGQYMIBWYSJIDZ-SSDOTTSWSA-N 1 0 239.344 1.568 10 0 BDAERO CCN(C(=O)[C@@H](C)[NH2+]C)c1ccc(F)cc1 ZINC000054076877 385594909 /nfs/dbraw/zinc/59/49/09/385594909.db2.gz UWMFVQSBNJTVJY-SECBINFHSA-N 1 0 224.279 1.787 10 0 BDAERO COC(=O)[C@@H]1CCCN(Cc2ccno2)C1 ZINC000066835780 385625462 /nfs/dbraw/zinc/62/54/62/385625462.db2.gz DHVNRYCNXBVXNA-SECBINFHSA-N 1 0 224.260 1.060 10 0 BDAERO CCOC(=O)[C@H]([NH3+])[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000259710599 385632132 /nfs/dbraw/zinc/63/21/32/385632132.db2.gz VPSBBCAIJKSZNF-UTINFBMNSA-N 1 0 215.293 1.080 10 0 BDAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000309518557 385652154 /nfs/dbraw/zinc/65/21/54/385652154.db2.gz ATMZKCVQXYOQSJ-QWRGUYRKSA-N 1 0 226.299 1.396 10 0 BDAERO Nc1ccc(C[NH+]2CCCCC2)cc1N ZINC000058267175 385653067 /nfs/dbraw/zinc/65/30/67/385653067.db2.gz JJVQDOCNXNUSDF-UHFFFAOYSA-N 1 0 205.305 1.837 10 0 BDAERO CCSCC[NH2+][C@@H]1CCCn2c(C)nnc21 ZINC000309526505 385660952 /nfs/dbraw/zinc/66/09/52/385660952.db2.gz BHHXOVNGAHSAMP-SNVBAGLBSA-N 1 0 240.376 1.764 10 0 BDAERO CCSCC[NH2+][C@H]1CCCn2c(C)nnc21 ZINC000309526502 385661018 /nfs/dbraw/zinc/66/10/18/385661018.db2.gz BHHXOVNGAHSAMP-JTQLQIEISA-N 1 0 240.376 1.764 10 0 BDAERO C[C@@H](CCCC[NH3+])Nc1ncc(F)cn1 ZINC000336684195 385672028 /nfs/dbraw/zinc/67/20/28/385672028.db2.gz KDGGGWUMMGKVTC-QMMMGPOBSA-N 1 0 212.272 1.545 10 0 BDAERO CC(C)([NH3+])C[C@@H](N)C(=O)OCc1ccccc1 ZINC000211286821 385677769 /nfs/dbraw/zinc/67/77/69/385677769.db2.gz FBBTXKIBAJHVMA-LLVKDONJSA-N 1 0 236.315 1.185 10 0 BDAERO Cc1nnc2n1C[C@@H]([NH2+][C@H](C)C1CC1)CC2 ZINC000309564548 385694960 /nfs/dbraw/zinc/69/49/60/385694960.db2.gz LWXSCDFUTNOCGR-KCJUWKMLSA-N 1 0 220.320 1.289 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]C(C)C)C12CCOCC2 ZINC000186200402 385747112 /nfs/dbraw/zinc/74/71/12/385747112.db2.gz CBCGYBJOPWHGFK-NEPJUHHUSA-N 1 0 227.348 1.959 10 0 BDAERO [NH3+]CCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000061844068 385751996 /nfs/dbraw/zinc/75/19/96/385751996.db2.gz ACFGGWQNKJRMSC-UHFFFAOYSA-N 1 0 206.224 1.112 10 0 BDAERO COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[C@H]1O ZINC000309633909 385759616 /nfs/dbraw/zinc/75/96/16/385759616.db2.gz ISFNUFZFRAROKQ-FRRDWIJNSA-N 1 0 229.364 1.798 10 0 BDAERO Nc1cc(CC[NH3+])ccc1Br ZINC000259316720 385780858 /nfs/dbraw/zinc/78/08/58/385780858.db2.gz DIWMXYZMFVZHGE-UHFFFAOYSA-N 1 0 215.094 1.533 10 0 BDAERO Cc1c(C[NH2+]C[C@H]2CC2(C)C)cnn1C ZINC000229810469 134468109 /nfs/dbraw/zinc/46/81/09/134468109.db2.gz HFGSGWCARZDSAP-LLVKDONJSA-N 1 0 207.321 1.864 10 0 BDAERO [NH3+][C@H]1CC[C@@H](CC(=O)c2ccsn2)C1 ZINC000306812555 385805201 /nfs/dbraw/zinc/80/52/01/385805201.db2.gz ZMBMZBJLIYRMOD-SFYZADRCSA-N 1 0 210.302 1.843 10 0 BDAERO [NH3+][C@@H]1CC[C@H](CC(=O)c2ccsn2)C1 ZINC000306812554 385805336 /nfs/dbraw/zinc/80/53/36/385805336.db2.gz ZMBMZBJLIYRMOD-JGVFFNPUSA-N 1 0 210.302 1.843 10 0 BDAERO C[C@H]1CC[C@@H](NC(=O)C2C[NH2+]C2)c2ccccc21 ZINC000263337208 385832152 /nfs/dbraw/zinc/83/21/52/385832152.db2.gz WOXADFXFLDZACF-IINYFYTJSA-N 1 0 244.338 1.961 10 0 BDAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC#N ZINC000307318009 385851909 /nfs/dbraw/zinc/85/19/09/385851909.db2.gz LNQVERYRRVKKQC-GXTWGEPZSA-N 1 0 229.327 1.968 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000215985139 385855569 /nfs/dbraw/zinc/85/55/69/385855569.db2.gz SDXCPFFWVANAKU-CHWSQXEVSA-N 1 0 249.310 1.561 10 0 BDAERO C[C@H]1CC[C@@H]([NH2+]C2CN(C)C2)CS1 ZINC000575533661 385890847 /nfs/dbraw/zinc/89/08/47/385890847.db2.gz CPFJKPYXIBDYSY-DTWKUNHWSA-N 1 0 200.351 1.174 10 0 BDAERO C[NH2+][C@H](C)CNCc1ncc(Cl)s1 ZINC000414962484 385892936 /nfs/dbraw/zinc/89/29/36/385892936.db2.gz ABVVTEGNNYGSJL-ZCFIWIBFSA-N 1 0 219.741 1.494 10 0 BDAERO C[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C2)CS1 ZINC000575535473 385905323 /nfs/dbraw/zinc/90/53/23/385905323.db2.gz VPZCFIIILCTJSJ-UTLUCORTSA-N 1 0 200.351 1.222 10 0 BDAERO Nc1ccc(S[C@H]2CC[NH2+]C2)c(F)c1 ZINC000051784208 385920103 /nfs/dbraw/zinc/92/01/03/385920103.db2.gz HFJOHXIGFZVDLU-QMMMGPOBSA-N 1 0 212.293 1.862 10 0 BDAERO COCC1(C[NH2+]CC2CC(O)C2)CCC1 ZINC000309016338 385937575 /nfs/dbraw/zinc/93/75/75/385937575.db2.gz ZQVNXUBNRFIIPZ-UHFFFAOYSA-N 1 0 213.321 1.164 10 0 BDAERO Cc1nc(CC[NH2+]C[C@@H](O)C(C)(C)C)cs1 ZINC000304213455 385947510 /nfs/dbraw/zinc/94/75/10/385947510.db2.gz FRDBUYCSXWBCEY-LLVKDONJSA-N 1 0 242.388 1.991 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC000336749126 385993962 /nfs/dbraw/zinc/99/39/62/385993962.db2.gz DXFMGVYFQGOERP-UWVGGRQHSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1CCC1(C)C)N1CCOCC1 ZINC000336753435 386024027 /nfs/dbraw/zinc/02/40/27/386024027.db2.gz WINMUBZNYRDCCG-NWDGAFQWSA-N 1 0 226.364 1.485 10 0 BDAERO Cc1cc([C@@]2([NH3+])CSC[C@@H]2C)sn1 ZINC000575562266 386030070 /nfs/dbraw/zinc/03/00/70/386030070.db2.gz XLPYEDGBUFXRDZ-IMTBSYHQSA-N 1 0 214.359 1.988 10 0 BDAERO C[C@@H]([NH2+]CCn1cncn1)C1CCSCC1 ZINC000336728830 386086543 /nfs/dbraw/zinc/08/65/43/386086543.db2.gz CSIBNCIYRAMTHG-SNVBAGLBSA-N 1 0 240.376 1.399 10 0 BDAERO C[C@@]1(O)CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000235420151 386164026 /nfs/dbraw/zinc/16/40/26/386164026.db2.gz OGSITMRJLPBPIR-GXTWGEPZSA-N 1 0 217.312 1.783 10 0 BDAERO C[C@@H]1C[C@H](N[C@@H]2CCCn3ncnc32)CC[N@@H+]1C ZINC000164642801 386178231 /nfs/dbraw/zinc/17/82/31/386178231.db2.gz JKZCVQMKDAQTMS-IJLUTSLNSA-N 1 0 249.362 1.185 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1c1ncnc2c1CCCC2 ZINC000310372901 386180125 /nfs/dbraw/zinc/18/01/25/386180125.db2.gz OJTAHJHAIJEWHN-GXSJLCMTSA-N 1 0 232.331 1.281 10 0 BDAERO CC[C@](C)(C[NH2+]C[C@H]1CCC[C@H]1O)OC ZINC000319834817 386203623 /nfs/dbraw/zinc/20/36/23/386203623.db2.gz JKILGDAEUAVIPJ-IJLUTSLNSA-N 1 0 215.337 1.552 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2O)nn1C ZINC000414395769 386284070 /nfs/dbraw/zinc/28/40/70/386284070.db2.gz RCJVQJBHQGDNHF-NWDGAFQWSA-N 1 0 223.320 1.122 10 0 BDAERO CN[C@H](C[NH3+])c1ccsc1Br ZINC000575583869 386265773 /nfs/dbraw/zinc/26/57/73/386265773.db2.gz NCNWAUYZTHRASY-ZCFIWIBFSA-N 1 0 235.150 1.730 10 0 BDAERO CCC1(CC)[C@H]([NH2+][C@H](C)CO)[C@@H](C)[C@H]1OC ZINC000336723154 386275925 /nfs/dbraw/zinc/27/59/25/386275925.db2.gz DWHMVMLGEHQALB-DDHJBXDOSA-N 1 0 229.364 1.797 10 0 BDAERO c1sc(C2CC2)nc1CNC[C@H]1CC[NH2+]C1 ZINC000414904337 386347021 /nfs/dbraw/zinc/34/70/21/386347021.db2.gz JPOUQXUJSJMSRY-VIFPVBQESA-N 1 0 237.372 1.720 10 0 BDAERO C[C@@H]1CN(C[C@H]2CSCC[NH2+]2)[C@H]1C ZINC000575591904 386352624 /nfs/dbraw/zinc/35/26/24/386352624.db2.gz MYWUBQAOEVEMIO-UTLUCORTSA-N 1 0 200.351 1.032 10 0 BDAERO C[C@@H]1C[C@@H](N)C[N@@H+]1C1CCSCC1 ZINC000575593156 386356051 /nfs/dbraw/zinc/35/60/51/386356051.db2.gz YAVSAZNDESEZTJ-RKDXNWHRSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@@H]1C[C@H](N2C[C@H]([NH3+])C[C@@H]2C)CS1 ZINC000575593056 386359307 /nfs/dbraw/zinc/35/93/07/386359307.db2.gz VMGHHFNQADQFJQ-JLIMGVALSA-N 1 0 200.351 1.302 10 0 BDAERO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCn1cncn1 ZINC000336777925 386440703 /nfs/dbraw/zinc/44/07/03/386440703.db2.gz JWNCJVQJFBKCHT-UTUOFQBUSA-N 1 0 220.320 1.446 10 0 BDAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000262596730 386411771 /nfs/dbraw/zinc/41/17/71/386411771.db2.gz VHHCXYHLIUEAMZ-LOWVWBTDSA-N 1 0 242.363 1.291 10 0 BDAERO C[C@@H]1OCC[C@@H]1Nc1cc(N2CCCC2)ncn1 ZINC000277712666 386461799 /nfs/dbraw/zinc/46/17/99/386461799.db2.gz HEPAYMFDTZWEEN-QWRGUYRKSA-N 1 0 248.330 1.666 10 0 BDAERO C[C@H](CO)[C@H](C)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000228591649 386590469 /nfs/dbraw/zinc/59/04/69/386590469.db2.gz AXSGULNUCSZDLY-MBNYWOFBSA-N 1 0 237.343 1.501 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccn1 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228.380 1.564 10 0 BDAERO Cn1cc[nH+]c1NCC1SCCS1 ZINC000575459098 387033753 /nfs/dbraw/zinc/03/37/53/387033753.db2.gz HBVDZMFIFUFDNT-UHFFFAOYSA-N 1 0 215.347 1.638 10 0 BDAERO Cc1csc(-c2nnsc2C[NH3+])n1 ZINC000575464218 387044499 /nfs/dbraw/zinc/04/44/99/387044499.db2.gz UEDVQZBDBORMKQ-UHFFFAOYSA-N 1 0 212.303 1.429 10 0 BDAERO FC(F)(F)C(F)(F)CCOC1C[NH2+]C1 ZINC000575411034 387012898 /nfs/dbraw/zinc/01/28/98/387012898.db2.gz PTXOGMHSDQUNJZ-UHFFFAOYSA-N 1 0 219.153 1.563 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)O1 ZINC000398901372 387015156 /nfs/dbraw/zinc/01/51/56/387015156.db2.gz MBPPAVHCKDEAKD-IKOXMDCHSA-N 1 0 239.359 1.647 10 0 BDAERO CC(C)([NH3+])[C@H](O)c1ccncc1Br ZINC000575577083 387027165 /nfs/dbraw/zinc/02/71/65/387027165.db2.gz DWXXQGMTHUNFQG-MRVPVSSYSA-N 1 0 245.120 1.615 10 0 BDAERO O=C(Nc1cccc2c1C[NH2+]C2)C(F)(F)F ZINC000575456053 387027916 /nfs/dbraw/zinc/02/79/16/387027916.db2.gz YMNOXGOUSQKLKO-UHFFFAOYSA-N 1 0 230.189 1.791 10 0 BDAERO 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CC[C@H](C)N1C(=O)c2ccccc2[C@H]1C[NH3+] ZINC000536951525 387164079 /nfs/dbraw/zinc/16/40/79/387164079.db2.gz SEYLYKTUVASVHH-JOYOIKCWSA-N 1 0 218.300 1.941 10 0 BDAERO Cn1cc(-c2ccnc([C@@H]3CCCC[NH2+]3)n2)cn1 ZINC000536954979 387167954 /nfs/dbraw/zinc/16/79/54/387167954.db2.gz NWEAMAVKGAEJGN-LBPRGKRZSA-N 1 0 243.314 1.692 10 0 BDAERO COc1ccc([C@@]2([NH3+])C[C@H](O)C2)cc1F ZINC000536960234 387172557 /nfs/dbraw/zinc/17/25/57/387172557.db2.gz OJRZYGVQEDCBCM-DKTWLAJQSA-N 1 0 211.236 1.143 10 0 BDAERO CSCC[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187194156 387172745 /nfs/dbraw/zinc/17/27/45/387172745.db2.gz SYQZXDFJVDXCOK-UHFFFAOYSA-N 1 0 240.376 1.203 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1C[C@@H](C)[C@H]1C ZINC000575587923 387180713 /nfs/dbraw/zinc/18/07/13/387180713.db2.gz ABTTVYQBNAVCAD-DOLQZWNJSA-N 1 0 200.351 1.030 10 0 BDAERO Cc1cnn(C[C@@H]2C[N@@H+](C3CCCC3)CCO2)c1 ZINC000120141626 387188071 /nfs/dbraw/zinc/18/80/71/387188071.db2.gz XDECVWALOKGVJY-AWEZNQCLSA-N 1 0 249.358 1.835 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000187381757 387191243 /nfs/dbraw/zinc/19/12/43/387191243.db2.gz OGFQMEFZQYGXIX-LBPRGKRZSA-N 1 0 227.348 1.648 10 0 BDAERO [NH3+]CCC[C@H]([NH3+])c1ccccc1C(=O)[O-] ZINC000575440400 387133778 /nfs/dbraw/zinc/13/37/78/387133778.db2.gz SNDGHWGIQGVAAI-JTQLQIEISA-N 1 0 208.261 1.124 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)cn1 ZINC000116311656 387140800 /nfs/dbraw/zinc/14/08/00/387140800.db2.gz LADFQCYBXQZUHS-JSGCOSHPSA-N 1 0 249.358 1.779 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc(C)c2)C1 ZINC000284520410 387202565 /nfs/dbraw/zinc/20/25/65/387202565.db2.gz IUIHLAZMQGTLTN-UONOGXRCSA-N 1 0 235.327 1.577 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CSCC[NH2+]2)[C@H]1C ZINC000575591901 387216833 /nfs/dbraw/zinc/21/68/33/387216833.db2.gz MYWUBQAOEVEMIO-KXUCPTDWSA-N 1 0 200.351 1.032 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCc2ccsc2C1 ZINC000336388668 387219032 /nfs/dbraw/zinc/21/90/32/387219032.db2.gz VCYCQSHZCOQUIY-JTQLQIEISA-N 1 0 238.356 1.760 10 0 BDAERO C[C@H]1C[C@@H](N)C[N@@H+]1C1CCSCC1 ZINC000575593154 387224035 /nfs/dbraw/zinc/22/40/35/387224035.db2.gz YAVSAZNDESEZTJ-DTWKUNHWSA-N 1 0 200.351 1.304 10 0 BDAERO Cc1nc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c[nH]1 ZINC000265085108 387226699 /nfs/dbraw/zinc/22/66/99/387226699.db2.gz RHVSTJRCLWXDQP-GXSJLCMTSA-N 1 0 248.330 1.027 10 0 BDAERO CC[C@@H](C)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000120448383 387247173 /nfs/dbraw/zinc/24/71/73/387247173.db2.gz HEZIIFSSIWQQOR-CHWSQXEVSA-N 1 0 228.380 1.685 10 0 BDAERO CC[C@@H]1COC[C@H]1NC1=[NH+]CCS1 ZINC000575484349 387198920 /nfs/dbraw/zinc/19/89/20/387198920.db2.gz IGIPNCLVKVDVEO-HTQZYQBOSA-N 1 0 200.307 1.104 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2C1 ZINC000514933032 387316544 /nfs/dbraw/zinc/31/65/44/387316544.db2.gz GFIFBHJXXAFGHW-AAVRWANBSA-N 1 0 239.359 1.506 10 0 BDAERO Cc1ncc([C@@H]([NH3+])C2CSC2)s1 ZINC000575491466 387277250 /nfs/dbraw/zinc/27/72/50/387277250.db2.gz WVFJUEZIEZUGNK-QMMMGPOBSA-N 1 0 200.332 1.814 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCC[C@H](O)C1 ZINC000575494467 387278115 /nfs/dbraw/zinc/27/81/15/387278115.db2.gz SSMBKIKSEGWDOG-OLZOCXBDSA-N 1 0 247.342 1.604 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000392910715 387301262 /nfs/dbraw/zinc/30/12/62/387301262.db2.gz CFDFJWHRANBIMN-IOXUZPACSA-N 1 0 244.338 1.957 10 0 BDAERO [NH3+][C@@H]1CO[C@@H]2C[C@@H](C(F)(F)F)CC[C@H]21 ZINC000575601739 387365948 /nfs/dbraw/zinc/36/59/48/387365948.db2.gz HLPLVCJGIOXVCR-RULNZFCNSA-N 1 0 209.211 1.691 10 0 BDAERO C[NH2+][C@@H]1CO[C@@H]([C@@H]2CCCSC2)C1 ZINC000575506709 387372255 /nfs/dbraw/zinc/37/22/55/387372255.db2.gz HGAASGHARSNXIX-KXUCPTDWSA-N 1 0 201.335 1.507 10 0 BDAERO CCc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)nc1 ZINC000393096472 387322015 /nfs/dbraw/zinc/32/20/15/387322015.db2.gz OEXAOXYLYWLLMF-MFKMUULPSA-N 1 0 247.342 1.401 10 0 BDAERO OC1(C[NH2+][C@H](C2CC2)C2CCC2)CCOCC1 ZINC000572335289 387327255 /nfs/dbraw/zinc/32/72/55/387327255.db2.gz ZHDXMTAVPZCKMU-ZDUSSCGKSA-N 1 0 239.359 1.696 10 0 BDAERO CN(Cc1cccs1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000336504193 387329141 /nfs/dbraw/zinc/32/91/41/387329141.db2.gz HYHJKCBVJRTEDV-WCBMZHEXSA-N 1 0 242.319 1.407 10 0 BDAERO CC(C)(C)[S@@](=O)[C@H]1CCC[NH2+]CC1 ZINC000575496250 387332471 /nfs/dbraw/zinc/33/24/71/387332471.db2.gz LCEULIKOAXPPNK-ZANVPECISA-N 1 0 203.351 1.676 10 0 BDAERO C[C@@]1(c2cncc(Br)c2)C[C@H]1[NH3+] ZINC000575499493 387341037 /nfs/dbraw/zinc/34/10/37/387341037.db2.gz LWGCTAAMEHWFKX-BDAKNGLRSA-N 1 0 227.105 1.833 10 0 BDAERO CC(C)[C@H]1C[C@]2(CO1)[NH2+]CCCS2 ZINC000575501644 387346293 /nfs/dbraw/zinc/34/62/93/387346293.db2.gz NLHJJMWPEPTRDT-ZJUUUORDSA-N 1 0 201.335 1.854 10 0 BDAERO N[C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000035677110 387437592 /nfs/dbraw/zinc/43/75/92/387437592.db2.gz GHONVWPMFNOQSL-MRVPVSSYSA-N 1 0 202.204 1.247 10 0 BDAERO C[C@@H]1CS[C@@]2(C[N@H+](C)C(C)(C)C2)N1 ZINC000575520785 387449333 /nfs/dbraw/zinc/44/93/33/387449333.db2.gz HBBLVHVXYVPZFY-SCZZXKLOSA-N 1 0 200.351 1.522 10 0 BDAERO CN(C1C[NH2+]C1)[C@H]1CCCSCC1 ZINC000575513226 387386123 /nfs/dbraw/zinc/38/61/23/387386123.db2.gz DMBNYGUYCGOHTM-VIFPVBQESA-N 1 0 200.351 1.176 10 0 BDAERO [NH3+]C[C@H]1CCN1[C@@H]1CCCSCC1 ZINC000575513655 387388445 /nfs/dbraw/zinc/38/84/45/387388445.db2.gz DRKRHAOHQPLIMA-NXEZZACHSA-N 1 0 200.351 1.305 10 0 BDAERO Cn1c(Cl)ncc1[C@H](F)C(C)(C)[NH3+] ZINC000575508629 387389303 /nfs/dbraw/zinc/38/93/03/387389303.db2.gz RKCVUZUXWJKVMP-LURJTMIESA-N 1 0 205.664 1.821 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC000121679130 387392662 /nfs/dbraw/zinc/39/26/62/387392662.db2.gz WQSNQSLAGHVJDJ-GFCCVEGCSA-N 1 0 236.359 1.585 10 0 BDAERO CCN1CC[C@H]([NH2+]CCCc2cnn(C)c2)C1 ZINC000314078734 387397701 /nfs/dbraw/zinc/39/77/01/387397701.db2.gz DCUMXJXKBXHRMV-ZDUSSCGKSA-N 1 0 236.363 1.037 10 0 BDAERO CCN(C(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000162714612 387500709 /nfs/dbraw/zinc/50/07/09/387500709.db2.gz QRAUJYAVTSQNBM-NSHDSACASA-N 1 0 227.352 1.473 10 0 BDAERO CC[C@H](O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000106384932 387527249 /nfs/dbraw/zinc/52/72/49/387527249.db2.gz XJIHRRGOGVSAHV-LBPRGKRZSA-N 1 0 237.347 1.370 10 0 BDAERO OC1(Cc2ccsc2Cl)C[NH2+]C1 ZINC000575525239 387527704 /nfs/dbraw/zinc/52/77/04/387527704.db2.gz YLZSIDFQKPAGQV-UHFFFAOYSA-N 1 0 203.694 1.278 10 0 BDAERO C[C@@H]1C[N@H+](CCC2(O)CCC2)C[C@H]1N(C)C ZINC000396795883 387493291 /nfs/dbraw/zinc/49/32/91/387493291.db2.gz XEKNNMTTZXKSGT-VXGBXAGGSA-N 1 0 226.364 1.173 10 0 BDAERO C[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+]C2)CS1 ZINC000575535472 387575049 /nfs/dbraw/zinc/57/50/49/387575049.db2.gz VPZCFIIILCTJSJ-OPRDCNLKSA-N 1 0 200.351 1.222 10 0 BDAERO C[C@@H]1CC[C@]2(CC[NH2+][C@H]2CO)CS1 ZINC000575535239 387575227 /nfs/dbraw/zinc/57/52/27/387575227.db2.gz RYXWFLKNLZHLQP-UTLUCORTSA-N 1 0 201.335 1.243 10 0 BDAERO O[C@]1([C@@H]2CCCC[NH2+]2)CCCSC1 ZINC000575535718 387576510 /nfs/dbraw/zinc/57/65/10/387576510.db2.gz XYKYBVFZTCHZSJ-VHSXEESVSA-N 1 0 201.335 1.387 10 0 BDAERO CO[C@@H]1CCC[C@]2(C1)[NH2+]C[C@H](C)S2 ZINC000300213715 387650839 /nfs/dbraw/zinc/65/08/39/387650839.db2.gz AYFDKIPCOCICOE-AEJSXWLSSA-N 1 0 201.335 1.997 10 0 BDAERO Cn1ncc(Cl)c1[C@@H](F)C1C[NH2+]C1 ZINC000575556338 387692537 /nfs/dbraw/zinc/69/25/37/387692537.db2.gz AYISBPMNKWUBFH-ZETCQYMHSA-N 1 0 203.648 1.304 10 0 BDAERO C[C@@H]1[C@H](CC[NH3+])CN1C(=O)OC(C)(C)C ZINC000575447763 387693399 /nfs/dbraw/zinc/69/33/99/387693399.db2.gz SZBDDZNBOAMQKF-RKDXNWHRSA-N 1 0 214.309 1.591 10 0 BDAERO CC(C)[C@@H]([NH3+])CCN(C)c1ncc(F)cn1 ZINC000128527745 387750533 /nfs/dbraw/zinc/75/05/33/387750533.db2.gz JCRUJFBZJIPADS-JTQLQIEISA-N 1 0 226.299 1.425 10 0 BDAERO Cc1oncc1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128660445 387752413 /nfs/dbraw/zinc/75/24/13/387752413.db2.gz IEAIEJJSVZFVDM-LLVKDONJSA-N 1 0 246.314 1.706 10 0 BDAERO O=C(CC[N@H+]1CC[C@@H](CCO)C1)c1ccccc1 ZINC000128759245 387754426 /nfs/dbraw/zinc/75/44/26/387754426.db2.gz GFSIWHVOPHCNRT-ZDUSSCGKSA-N 1 0 247.338 1.964 10 0 BDAERO COC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000126895032 387698072 /nfs/dbraw/zinc/69/80/72/387698072.db2.gz LUCBTNQLIUZZTA-GHMZBOCLSA-N 1 0 225.288 1.424 10 0 BDAERO C[C@H]1SCC[C@]1([NH3+])c1ccns1 ZINC000575568223 387726853 /nfs/dbraw/zinc/72/68/53/387726853.db2.gz NBQYSNJAHCBKKV-HTRCEHHLSA-N 1 0 200.332 1.823 10 0 BDAERO C[NH2+][C@@H]1CCN(C2CSC2)[C@H](C)C1 ZINC000575565158 387727951 /nfs/dbraw/zinc/72/79/51/387727951.db2.gz DSRMDHFTRCFQGL-RKDXNWHRSA-N 1 0 200.351 1.174 10 0 BDAERO C/C=C/[C@H]([NH3+])c1c(Br)nnn1C ZINC000575570318 387739445 /nfs/dbraw/zinc/73/94/45/387739445.db2.gz XZTFTNZPYPWABF-BHYDHMSTSA-N 1 0 231.097 1.154 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)C1CC1 ZINC000129442089 387770827 /nfs/dbraw/zinc/77/08/27/387770827.db2.gz YSASFOLMIAYHHI-QWRGUYRKSA-N 1 0 220.320 1.371 10 0 BDAERO C[C@H](CN[C@@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422979566 387789809 /nfs/dbraw/zinc/78/98/09/387789809.db2.gz JVGDLZQUFWCTPE-VXGBXAGGSA-N 1 0 220.316 1.405 10 0 BDAERO C[C@H]([NH3+])[C@H]1CN(c2ccncc2Cl)CCO1 ZINC000169213240 387799955 /nfs/dbraw/zinc/79/99/55/387799955.db2.gz QWSAMBJYQKQNTE-GZMMTYOYSA-N 1 0 241.722 1.287 10 0 BDAERO C[C@@H]1CC(C[NH2+][C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000423104064 387888895 /nfs/dbraw/zinc/88/88/95/387888895.db2.gz PTFIFGWDQQDUFQ-FOGDFJRCSA-N 1 0 212.337 1.142 10 0 BDAERO CC(C)n1nnnc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000195122570 387907532 /nfs/dbraw/zinc/90/75/32/387907532.db2.gz HRSMDMWLLREILE-UHFFFAOYSA-N 1 0 249.362 1.874 10 0 BDAERO CCCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195313699 387920030 /nfs/dbraw/zinc/92/00/30/387920030.db2.gz WMYUOWHOLTYUKT-NSHDSACASA-N 1 0 210.321 1.483 10 0 BDAERO CSC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322124533 387937827 /nfs/dbraw/zinc/93/78/27/387937827.db2.gz CVLXSUUPILFJDD-GWOFURMSSA-N 1 0 217.378 1.735 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC000245476377 387949212 /nfs/dbraw/zinc/94/92/12/387949212.db2.gz SSQHXCUQJUBJCM-YPMHNXCESA-N 1 0 238.375 1.975 10 0 BDAERO CC[C@H]([NH3+])CNc1ncncc1Cl ZINC000163683036 135045096 /nfs/dbraw/zinc/04/50/96/135045096.db2.gz BYUPKPNEOPCACH-LURJTMIESA-N 1 0 200.673 1.279 10 0 BDAERO CONC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245699810 387974705 /nfs/dbraw/zinc/97/47/05/387974705.db2.gz ZBJOZXHMSRSKBF-NWDGAFQWSA-N 1 0 249.314 1.292 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@@](C)(CC)OC)C1 ZINC000323022064 387991322 /nfs/dbraw/zinc/99/13/22/387991322.db2.gz JNOHBWVAXAADQY-VXGBXAGGSA-N 1 0 214.353 1.485 10 0 BDAERO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)COC ZINC000245841510 387985569 /nfs/dbraw/zinc/98/55/69/387985569.db2.gz ZFGVFBRWBYBOBZ-MNOVXSKESA-N 1 0 230.352 1.115 10 0 BDAERO CC[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246258779 388024428 /nfs/dbraw/zinc/02/44/28/388024428.db2.gz QLLFQKLZMYEBTM-GRYCIOLGSA-N 1 0 241.379 1.813 10 0 BDAERO C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000246265829 388025834 /nfs/dbraw/zinc/02/58/34/388025834.db2.gz VHJOBUAIQCCQOD-JQWIXIFHSA-N 1 0 222.332 1.339 10 0 BDAERO CC(C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246264395 388025983 /nfs/dbraw/zinc/02/59/83/388025983.db2.gz RFPBVZHETMWIHH-VXGBXAGGSA-N 1 0 241.379 1.670 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@](=O)[C@H](C)C[NH2+]1 ZINC000306316370 388034365 /nfs/dbraw/zinc/03/43/65/388034365.db2.gz AAPMTOYOMJTHME-ZDMBXUJBSA-N 1 0 203.351 1.532 10 0 BDAERO CCCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000083703920 388058648 /nfs/dbraw/zinc/05/86/48/388058648.db2.gz FNSHIIFNVQNSHW-NWDGAFQWSA-N 1 0 224.348 1.872 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nccn1C ZINC000083704411 388059217 /nfs/dbraw/zinc/05/92/17/388059217.db2.gz OWLIHMIADJREQK-CHWSQXEVSA-N 1 0 248.374 1.479 10 0 BDAERO CC(C)([NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000084181950 388072191 /nfs/dbraw/zinc/07/21/91/388072191.db2.gz GXBYDLJMTKEJFK-WDEREUQCSA-N 1 0 240.347 1.284 10 0 BDAERO CN(C)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336658361 388074851 /nfs/dbraw/zinc/07/48/51/388074851.db2.gz QFUBZKCYSMQLRL-QWRGUYRKSA-N 1 0 202.317 1.666 10 0 BDAERO O=C(c1ccco1)N1CCC([NH2+]C2CC2)CC1 ZINC000084528217 388079497 /nfs/dbraw/zinc/07/94/97/388079497.db2.gz BMMQXHLFXDSGDW-UHFFFAOYSA-N 1 0 234.299 1.636 10 0 BDAERO Clc1cnc(NC2C[NH2+]C2)c(Cl)c1 ZINC000085256544 388085717 /nfs/dbraw/zinc/08/57/17/388085717.db2.gz ZWZOZXGNDMBHDT-UHFFFAOYSA-N 1 0 218.087 1.772 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC[C@@H](C)O ZINC000086189936 388100969 /nfs/dbraw/zinc/10/09/69/388100969.db2.gz TVJPSJPXZROOCE-OLZOCXBDSA-N 1 0 228.380 1.564 10 0 BDAERO CC1(C)C[NH2+]CC[C@@H]1NCC(F)(F)F ZINC000261528379 135153295 /nfs/dbraw/zinc/15/32/95/135153295.db2.gz LBHXDGHEIDPMPZ-ZETCQYMHSA-N 1 0 210.243 1.526 10 0 BDAERO Cc1noc(CCC[N@H+]2C[C@H](O)CC[C@@H]2C)n1 ZINC000645929106 388170039 /nfs/dbraw/zinc/17/00/39/388170039.db2.gz QETQAYJKCGWTGJ-GXSJLCMTSA-N 1 0 239.319 1.156 10 0 BDAERO CCC[C@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)CCO1 ZINC000646274090 388174643 /nfs/dbraw/zinc/17/46/43/388174643.db2.gz XHSJSHWLJUMKLJ-NWDGAFQWSA-N 1 0 242.363 1.387 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]2[NH2+]CC2(C)C)o1 ZINC000646297346 388178281 /nfs/dbraw/zinc/17/82/81/388178281.db2.gz BMUUDJIHFKBMBC-BDAKNGLRSA-N 1 0 237.303 1.158 10 0 BDAERO COc1cccnc1NC[C@H](O)C(C)(C)C ZINC000324419704 388118276 /nfs/dbraw/zinc/11/82/76/388118276.db2.gz MZMMSNZVNLEBHU-JTQLQIEISA-N 1 0 224.304 1.909 10 0 BDAERO COc1ncc(C[NH2+]C[C@H](O)C(C)(C)C)s1 ZINC000324477871 388121472 /nfs/dbraw/zinc/12/14/72/388121472.db2.gz IHTLCRNIXOPYII-VIFPVBQESA-N 1 0 244.360 1.648 10 0 BDAERO [NH3+]Cc1csc(N2CCCCCC2)n1 ZINC000070628759 388137214 /nfs/dbraw/zinc/13/72/14/388137214.db2.gz MLRJHBKPFRYIPQ-UHFFFAOYSA-N 1 0 211.334 1.982 10 0 BDAERO CC[C@](C)(C[N@@H+]1CCN2CCCC[C@@H]2C1)OC ZINC000323165952 388253438 /nfs/dbraw/zinc/25/34/38/388253438.db2.gz UNNQJHIJCWJHCD-ZIAGYGMSSA-N 1 0 240.391 1.972 10 0 BDAERO COc1ccc(N)cc1C[NH+]1CCCC1 ZINC000036722211 388258314 /nfs/dbraw/zinc/25/83/14/388258314.db2.gz NTRPBMNULHISJE-UHFFFAOYSA-N 1 0 206.289 1.873 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000164525401 388239742 /nfs/dbraw/zinc/23/97/42/388239742.db2.gz SBYRDKCOUCRYRV-PWSUYJOCSA-N 1 0 207.321 1.970 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000164525019 388239759 /nfs/dbraw/zinc/23/97/59/388239759.db2.gz SBYRDKCOUCRYRV-CMPLNLGQSA-N 1 0 207.321 1.970 10 0 BDAERO C1CSC(N[C@@H]2CCCSCC2)=[NH+]1 ZINC000575517398 388354414 /nfs/dbraw/zinc/35/44/14/388354414.db2.gz FTGODKDTVTURHK-MRVPVSSYSA-N 1 0 216.375 1.965 10 0 BDAERO C[N@@H+]1C[C@@]2(CC1(C)C)NCCCS2 ZINC000575520564 388356892 /nfs/dbraw/zinc/35/68/92/388356892.db2.gz BFHNVKPJKIYSLY-JTQLQIEISA-N 1 0 200.351 1.523 10 0 BDAERO C[N@@H+]1C[C@]2(CC1(C)C)NCCCS2 ZINC000575520565 388357091 /nfs/dbraw/zinc/35/70/91/388357091.db2.gz BFHNVKPJKIYSLY-SNVBAGLBSA-N 1 0 200.351 1.523 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000290369248 388367778 /nfs/dbraw/zinc/36/77/78/388367778.db2.gz NFVCPIMVMVJTSM-VXNVDRBHSA-N 1 0 240.328 1.687 10 0 BDAERO C[C@H](CC[NH3+])Nc1nccc2occc21 ZINC000235443675 388369284 /nfs/dbraw/zinc/36/92/84/388369284.db2.gz XDNOEEDQDCDOES-MRVPVSSYSA-N 1 0 205.261 1.977 10 0 BDAERO Cc1ccnc(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000328179296 388405699 /nfs/dbraw/zinc/40/56/99/388405699.db2.gz MTZJLKPPKQODPR-ZYHUDNBSSA-N 1 0 206.289 1.657 10 0 BDAERO CC(C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000238121812 388400488 /nfs/dbraw/zinc/40/04/88/388400488.db2.gz LZCBKRMUGMBWCF-RTCCRHLQSA-N 1 0 210.321 1.513 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@H]2CCO[C@@H]21 ZINC000631669121 388402918 /nfs/dbraw/zinc/40/29/18/388402918.db2.gz CYSDEIBIROWNEK-ROHXPCBUSA-N 1 0 225.332 1.160 10 0 BDAERO C[C@@H]([NH3+])c1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000070947644 388442089 /nfs/dbraw/zinc/44/20/89/388442089.db2.gz IFRZLGKEUDHOBU-GSVOUGTGSA-N 1 0 207.155 1.221 10 0 BDAERO Clc1ccc(C[C@@H]2COCC[NH2+]2)cc1 ZINC000071518372 388444186 /nfs/dbraw/zinc/44/41/86/388444186.db2.gz OYBVODNMGYFPHN-LLVKDONJSA-N 1 0 211.692 1.871 10 0 BDAERO C[C@@](O)(c1cccs1)C1CC[NH2+]CC1 ZINC000071518308 388444560 /nfs/dbraw/zinc/44/45/60/388444560.db2.gz QKSLMLRRSYOJHS-NSHDSACASA-N 1 0 211.330 1.955 10 0 BDAERO CC[C@H]([NH2+][C@@H]1COC[C@H]1O)[C@@H]1CC1(C)C ZINC000397573974 388480585 /nfs/dbraw/zinc/48/05/85/388480585.db2.gz FOIPSSPLYJQLDF-UKKRHICBSA-N 1 0 213.321 1.160 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C(C)(C)CN1CCCC1 ZINC000308638601 388446206 /nfs/dbraw/zinc/44/62/06/388446206.db2.gz XQYWZEZDUYWVAT-LBPRGKRZSA-N 1 0 242.407 1.857 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccn1 ZINC000335598418 388451899 /nfs/dbraw/zinc/45/18/99/388451899.db2.gz XMBCHSMWRKULNB-CMPLNLGQSA-N 1 0 233.315 1.086 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)nc1 ZINC000336173041 388456856 /nfs/dbraw/zinc/45/68/56/388456856.db2.gz SAQPRVPMJZMPJV-JQWIXIFHSA-N 1 0 233.315 1.147 10 0 BDAERO CCC[C@H](C)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000309817217 388465541 /nfs/dbraw/zinc/46/55/41/388465541.db2.gz BTLWUTNZYYAWSH-SDDRHHMPSA-N 1 0 212.337 1.095 10 0 BDAERO CCSCCC[NH2+]Cc1cnn(C)c1C ZINC000134772858 388479068 /nfs/dbraw/zinc/47/90/68/388479068.db2.gz POHKPFQZOSAYKZ-UHFFFAOYSA-N 1 0 227.377 1.961 10 0 BDAERO C[C@@H](NCc1cn[nH]n1)c1ccc(F)c(F)c1 ZINC000296379937 388422639 /nfs/dbraw/zinc/42/26/39/388422639.db2.gz UBFORQNOBXUUBI-SSDOTTSWSA-N 1 0 238.241 1.934 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CCC2(OC)CCC2)C1 ZINC000339179950 388479887 /nfs/dbraw/zinc/47/98/87/388479887.db2.gz CJYBVKGKHMMJIJ-NEPJUHHUSA-N 1 0 243.347 1.027 10 0 BDAERO CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1C[C@@H]1C ZINC000297595155 388430583 /nfs/dbraw/zinc/43/05/83/388430583.db2.gz HUCOCUQSOYRTFL-SRVKXCTJSA-N 1 0 207.321 1.906 10 0 BDAERO [NH3+][C@H]1CCN(CC(=O)c2cc(F)cc(F)c2)C1 ZINC000070459804 388436828 /nfs/dbraw/zinc/43/68/28/388436828.db2.gz QKHHKEPRMJSONS-NSHDSACASA-N 1 0 240.253 1.181 10 0 BDAERO NNc1ccc(-c2cc(F)cc(F)c2)n[nH+]1 ZINC000070458869 388437195 /nfs/dbraw/zinc/43/71/95/388437195.db2.gz AMCHTXXMVMGMGS-UHFFFAOYSA-N 1 0 222.198 1.707 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccnc(N)c1 ZINC000298473587 388438615 /nfs/dbraw/zinc/43/86/15/388438615.db2.gz SNFWSAQYDXYWKN-KOLCDFICSA-N 1 0 221.304 1.009 10 0 BDAERO CC(C)n1nccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000354481402 388545447 /nfs/dbraw/zinc/54/54/47/388545447.db2.gz RZDYSTFWSYHDJA-DGCLKSJQSA-N 1 0 237.347 1.715 10 0 BDAERO CC(C)C1([NH2+]CCN2CCCC2=O)CC1 ZINC000339512934 388485211 /nfs/dbraw/zinc/48/52/11/388485211.db2.gz ZORXNXVBUDHBNM-UHFFFAOYSA-N 1 0 210.321 1.387 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccsc2)C1 ZINC000343986586 388504000 /nfs/dbraw/zinc/50/40/00/388504000.db2.gz REZRZITUOIXHEF-MNOVXSKESA-N 1 0 227.329 1.330 10 0 BDAERO CCC[C@H](C(=O)NCCCCOC)[NH+](C)C ZINC000136164717 388524559 /nfs/dbraw/zinc/52/45/59/388524559.db2.gz IQTHNSLKYWHGQK-LLVKDONJSA-N 1 0 230.352 1.260 10 0 BDAERO C[C@H]([NH2+]CCn1cncn1)c1ccc(F)cn1 ZINC000356697493 388550284 /nfs/dbraw/zinc/55/02/84/388550284.db2.gz NINBZFHMIUVOJF-VIFPVBQESA-N 1 0 235.266 1.163 10 0 BDAERO C[NH+](C)CC[C@@H]1CCc2ccccc2N1N ZINC000082288055 388587217 /nfs/dbraw/zinc/58/72/17/388587217.db2.gz KTMDJWZLKXCXDZ-LBPRGKRZSA-N 1 0 219.332 1.633 10 0 BDAERO CCc1ccc(C[NH2+][C@H](C)COC)nc1 ZINC000379135603 388588277 /nfs/dbraw/zinc/58/82/77/388588277.db2.gz QPQPTVILKADWEO-SNVBAGLBSA-N 1 0 208.305 1.769 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC000091305067 388592145 /nfs/dbraw/zinc/59/21/45/388592145.db2.gz FZURJTVFRKRXMA-KCJUWKMLSA-N 1 0 212.293 1.345 10 0 BDAERO C[C@H]1C[C@H]([NH2+]CC2CC(O)C2)c2nccn21 ZINC000379165306 388592512 /nfs/dbraw/zinc/59/25/12/388592512.db2.gz NJMIETIERAXPCU-PMUOWJKOSA-N 1 0 221.304 1.249 10 0 BDAERO C[C@](O)(C[NH3+])c1cccc(Br)c1 ZINC000055032544 388596663 /nfs/dbraw/zinc/59/66/63/388596663.db2.gz HZTWHHWNUJWXGR-VIFPVBQESA-N 1 0 230.105 1.615 10 0 BDAERO CCn1nccc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245760692 388603704 /nfs/dbraw/zinc/60/37/04/388603704.db2.gz PPUOAOXKDVIOQM-OLZOCXBDSA-N 1 0 248.374 1.572 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)[C@H]2CCCCO2)c1 ZINC000379275102 388604287 /nfs/dbraw/zinc/60/42/87/388604287.db2.gz YWJBHQWZTJVJDQ-QWHCGFSZSA-N 1 0 237.347 1.739 10 0 BDAERO CCC[C@H](C)C[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000245846881 388608119 /nfs/dbraw/zinc/60/81/19/388608119.db2.gz LLPPNROAUQVQIQ-IHRRRGAJSA-N 1 0 242.407 1.810 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC000246000772 388613725 /nfs/dbraw/zinc/61/37/25/388613725.db2.gz IQMMDHSMFWBERV-WDEREUQCSA-N 1 0 224.348 1.631 10 0 BDAERO CCCC[C@H](C(=O)OC)N1C[C@H](C)O[C@@H](C)C1 ZINC000218200718 388578249 /nfs/dbraw/zinc/57/82/49/388578249.db2.gz HDCQBBUUZJXWND-SDDRHHMPSA-N 1 0 243.347 1.827 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000245463270 388581701 /nfs/dbraw/zinc/58/17/01/388581701.db2.gz OOHBLONBVXZNIK-NDBYEHHHSA-N 1 0 236.359 1.585 10 0 BDAERO CC[NH2+][C@H](C)CN=c1[n-]c([C@H](C)OC)ns1 ZINC000387442429 388581776 /nfs/dbraw/zinc/58/17/76/388581776.db2.gz KVVIFSDGNLBBPG-SFYZADRCSA-N 1 0 244.364 1.077 10 0 BDAERO Cc1occc1CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104211571 388582648 /nfs/dbraw/zinc/58/26/48/388582648.db2.gz PTNVGPSLRZVTOI-BXKDBHETSA-N 1 0 236.315 1.402 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000124767340 388665569 /nfs/dbraw/zinc/66/55/69/388665569.db2.gz NRRMTBFNBHFLHM-CHWSQXEVSA-N 1 0 225.332 1.474 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CCN1C ZINC000247962707 388671678 /nfs/dbraw/zinc/67/16/78/388671678.db2.gz GJTYHAYZPGVWJW-XJFOESAGSA-N 1 0 240.391 1.610 10 0 BDAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000246567342 388644387 /nfs/dbraw/zinc/64/43/87/388644387.db2.gz XQENYWWCKCSWAV-VOAKCMCISA-N 1 0 226.364 1.482 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000084177966 388651334 /nfs/dbraw/zinc/65/13/34/388651334.db2.gz FRNRNSQTFNNJQP-HTQZYQBOSA-N 1 0 227.226 1.416 10 0 BDAERO CC[C@H](O)CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000247120565 388659663 /nfs/dbraw/zinc/65/96/63/388659663.db2.gz FQKAJTUHJIGONX-ZJUUUORDSA-N 1 0 231.336 1.419 10 0 BDAERO CC[C@H]1C[N@H+](CCSC)CCN1C[C@H](C)O ZINC000247203559 388660533 /nfs/dbraw/zinc/66/05/33/388660533.db2.gz PDJMUFAALBOENC-RYUDHWBXSA-N 1 0 246.420 1.126 10 0 BDAERO Cc1cc(Br)ccc1[C@@H](O)C[NH3+] ZINC000082541923 177724345 /nfs/dbraw/zinc/72/43/45/177724345.db2.gz ZMKVIJOTXVLCIX-VIFPVBQESA-N 1 0 230.105 1.750 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000227749427 388757318 /nfs/dbraw/zinc/75/73/18/388757318.db2.gz GFQJVQICVKSDLB-YVECIDJPSA-N 1 0 227.348 1.431 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2CCOC2)[C@@H]2CCO[C@@H]21 ZINC000227400809 388749797 /nfs/dbraw/zinc/74/97/97/388749797.db2.gz MIFWBDDCZSQVQJ-MMWGEVLESA-N 1 0 211.305 1.178 10 0 BDAERO COC(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)OC ZINC000227589326 388753955 /nfs/dbraw/zinc/75/39/55/388753955.db2.gz XSHYSWUJEYFVLB-MNOVXSKESA-N 1 0 229.320 1.249 10 0 BDAERO C[C@@H]1CC[C@H](CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)O1 ZINC000248977080 388702135 /nfs/dbraw/zinc/70/21/35/388702135.db2.gz UJHTXHXVXSYJJP-AAVRWANBSA-N 1 0 238.375 1.722 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000396469217 388702773 /nfs/dbraw/zinc/70/27/73/388702773.db2.gz YZKSISRSKGYHPE-NKWVEPMBSA-N 1 0 239.237 1.726 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000229880059 388801156 /nfs/dbraw/zinc/80/11/56/388801156.db2.gz HRMWIEUGMBUFPF-ZYHUDNBSSA-N 1 0 229.320 1.032 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000228010623 388764445 /nfs/dbraw/zinc/76/44/45/388764445.db2.gz IKHOMBZLBLHOCE-GMTAPVOTSA-N 1 0 210.321 1.385 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc2c(c1)OCO2 ZINC000091525612 388764722 /nfs/dbraw/zinc/76/47/22/388764722.db2.gz BUTNYXQXJSYNMB-BMQDGWLCSA-N 1 0 249.310 1.837 10 0 BDAERO CCOc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000091525366 388765073 /nfs/dbraw/zinc/76/50/73/388765073.db2.gz PKPZZSZCQHTYSV-UHFFFAOYSA-N 1 0 235.327 1.946 10 0 BDAERO Cc1oncc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000128638840 388778286 /nfs/dbraw/zinc/77/82/86/388778286.db2.gz ZZRPLUMRNZWJQG-LLVKDONJSA-N 1 0 223.320 1.367 10 0 BDAERO C[C@@H](CO)[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000252817705 388784501 /nfs/dbraw/zinc/78/45/01/388784501.db2.gz YKHOTNLLCOWXRR-CMPLNLGQSA-N 1 0 205.301 1.639 10 0 BDAERO CC[C@H]1C[N@H+](C[C@@](C)(O)CC)CCO1 ZINC000229383613 388787983 /nfs/dbraw/zinc/78/79/83/388787983.db2.gz OYJIGDJXTGFXRN-QWRGUYRKSA-N 1 0 201.310 1.258 10 0 BDAERO N[C@]1(c2ncno2)CC[N@H+](Cc2ccccc2)C1 ZINC000575464451 388831551 /nfs/dbraw/zinc/83/15/51/388831551.db2.gz HYRYRXFYPWSCFU-CYBMUJFWSA-N 1 0 244.298 1.130 10 0 BDAERO CC1(CNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000232847128 388859564 /nfs/dbraw/zinc/85/95/64/388859564.db2.gz VRMPCYXCABSNBO-SNVBAGLBSA-N 1 0 210.321 1.292 10 0 BDAERO CC(C)[C@H]1COC[C@@]12[NH2+]C[C@@H](C)S2 ZINC000575481102 388863777 /nfs/dbraw/zinc/86/37/77/388863777.db2.gz MOXVJKOWCLUFFF-BBBLOLIVSA-N 1 0 201.335 1.710 10 0 BDAERO C[C@@H]1COC[C@H]1[NH2+][C@@H]1CSC1(C)C ZINC000575481947 388863998 /nfs/dbraw/zinc/86/39/98/388863998.db2.gz QMSVNNOTVANJAH-IWSPIJDZSA-N 1 0 201.335 1.505 10 0 BDAERO [NH2+]=C(NO)NC[C@H]1CCCSCC1 ZINC000575484037 388866614 /nfs/dbraw/zinc/86/66/14/388866614.db2.gz HIJFCRKBGMOMLK-ZETCQYMHSA-N 1 0 203.311 1.023 10 0 BDAERO Nc1cccc(Br)c1NCC[NH3+] ZINC000575489276 388887413 /nfs/dbraw/zinc/88/74/13/388887413.db2.gz AWGRINIPXAIXHY-UHFFFAOYSA-N 1 0 230.109 1.402 10 0 BDAERO F[C@]1(Cc2ccns2)CCC[NH2+]C1 ZINC000575489426 388887983 /nfs/dbraw/zinc/88/79/83/388887983.db2.gz DFKRAUVNWKTFIK-VIFPVBQESA-N 1 0 200.282 1.777 10 0 BDAERO C[C@H]1CC[NH2+]C[C@H]1C(=O)NCc1ccccc1 ZINC000575488949 388888886 /nfs/dbraw/zinc/88/88/86/388888886.db2.gz UESLLHJCQDOHMG-WCQYABFASA-N 1 0 232.327 1.548 10 0 BDAERO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000565533635 388951414 /nfs/dbraw/zinc/95/14/14/388951414.db2.gz GDGRKGJZHOESNI-AVGNSLFASA-N 1 0 228.380 1.371 10 0 BDAERO C[C@@]1(c2cncc(Br)c2)C[C@@H]1[NH3+] ZINC000575499499 388989833 /nfs/dbraw/zinc/98/98/33/388989833.db2.gz LWGCTAAMEHWFKX-IUCAKERBSA-N 1 0 227.105 1.833 10 0 BDAERO Cn1nc(Br)cc1C[C@@H]1CCC[NH2+]1 ZINC000575502692 388990265 /nfs/dbraw/zinc/99/02/65/388990265.db2.gz VFTBAITZVNPFLR-ZETCQYMHSA-N 1 0 244.136 1.477 10 0 BDAERO Cn1nc(Br)cc1[C@@H]1C[C@@H]1C[NH3+] ZINC000575502895 388990521 /nfs/dbraw/zinc/99/05/21/388990521.db2.gz XUVOMPAWYLEXAI-PHDIDXHHSA-N 1 0 230.109 1.245 10 0 BDAERO [NH3+][C@H]1CO[C@@H](c2ccc(Br)cn2)C1 ZINC000575506425 388991749 /nfs/dbraw/zinc/99/17/49/388991749.db2.gz ABLBNLHYOFCZNE-VXNVDRBHSA-N 1 0 243.104 1.633 10 0 BDAERO CCC[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000051399167 132360459 /nfs/dbraw/zinc/36/04/59/132360459.db2.gz DJNTYDYWSUVZHU-UHFFFAOYSA-N 1 0 235.331 1.418 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ncccn1 ZINC000053706570 132363441 /nfs/dbraw/zinc/36/34/41/132363441.db2.gz ZPYNWDIBRAKWLJ-JTQLQIEISA-N 1 0 206.293 1.055 10 0 BDAERO CC[NH+]1CCN(c2cc(N)ccc2C)CC1 ZINC000053734417 132363631 /nfs/dbraw/zinc/36/36/31/132363631.db2.gz UCOGDPUYEKFHQE-UHFFFAOYSA-N 1 0 219.332 1.719 10 0 BDAERO C[C@@H]1CCN(c2ccccn2)[C@@H](C[NH3+])C1 ZINC000235370180 132395309 /nfs/dbraw/zinc/39/53/09/132395309.db2.gz CWDGZOVUQJHLKL-GHMZBOCLSA-N 1 0 205.305 1.645 10 0 BDAERO CC(C)C1([NH2+]C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000339512101 166752678 /nfs/dbraw/zinc/75/26/78/166752678.db2.gz WZDCUBHKULCJMU-SNVBAGLBSA-N 1 0 233.377 1.445 10 0 BDAERO C(COCC1CC1)[NH2+]CC1CCOCC1 ZINC000165629340 533366472 /nfs/dbraw/zinc/36/64/72/533366472.db2.gz FTZDTLXSGAIGMP-UHFFFAOYSA-N 1 0 213.321 1.429 10 0 BDAERO [NH3+]CC1CCN(c2ncnc3sccc32)CC1 ZINC000044514608 132224868 /nfs/dbraw/zinc/22/48/68/132224868.db2.gz SAYPRHYONZWADE-UHFFFAOYSA-N 1 0 248.355 1.866 10 0 BDAERO Cc1cc(N2CCC([NH+](C)C)CC2)nnc1C ZINC000302264231 132262448 /nfs/dbraw/zinc/26/24/48/132262448.db2.gz FAKKFCVNYJLYLS-UHFFFAOYSA-N 1 0 234.347 1.624 10 0 BDAERO Cc1cncc(N2CC[C@@H]3C[NH2+][C@@H]3C2)c1 ZINC000035080300 132294928 /nfs/dbraw/zinc/29/49/28/132294928.db2.gz VRIYWCYUXQMBTC-ZYHUDNBSSA-N 1 0 203.289 1.188 10 0 BDAERO CCc1nc(C)c(C)c(N2CCC(C[NH3+])CC2)n1 ZINC000045954899 132299330 /nfs/dbraw/zinc/29/93/30/132299330.db2.gz FYMDWJLRWCNGMQ-UHFFFAOYSA-N 1 0 248.374 1.831 10 0 BDAERO [NH3+]CC1CCN(c2cc(Cl)ncn2)CC1 ZINC000073734670 132303497 /nfs/dbraw/zinc/30/34/97/132303497.db2.gz IYCWZJSDNRMINL-UHFFFAOYSA-N 1 0 226.711 1.305 10 0 BDAERO Cc1ccc(N2CCN(C(N)=[NH2+])C[C@@H]2C)cc1 ZINC000073640608 132303501 /nfs/dbraw/zinc/30/35/01/132303501.db2.gz FXDHBIJRGFMMHM-NSHDSACASA-N 1 0 232.331 1.399 10 0 BDAERO C[C@@H]1CCCN(c2ccccn2)[C@H]1C[NH3+] ZINC000252215452 132303839 /nfs/dbraw/zinc/30/38/39/132303839.db2.gz XNLPDVFSADBFIP-MNOVXSKESA-N 1 0 205.305 1.645 10 0 BDAERO Cc1nccnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000290469559 132307497 /nfs/dbraw/zinc/30/74/97/132307497.db2.gz AKSYLZPPZUKYPO-LLVKDONJSA-N 1 0 218.304 1.069 10 0 BDAERO C[C@H]1CN(c2cccc(Cl)n2)CC[NH2+]1 ZINC000003800331 132315758 /nfs/dbraw/zinc/31/57/58/132315758.db2.gz CGVOTFHOTLOYKI-QMMMGPOBSA-N 1 0 211.696 1.533 10 0 BDAERO CC(C)CC[NH+]1CCN(c2ccc(N)cn2)CC1 ZINC000011569054 132319749 /nfs/dbraw/zinc/31/97/49/132319749.db2.gz RXBOAJVDNQMELM-UHFFFAOYSA-N 1 0 248.374 1.832 10 0 BDAERO C[N@H+]1[C@@H]2CC[C@H]1CN(c1ccc(Cl)nn1)C2 ZINC000013491005 132322042 /nfs/dbraw/zinc/32/20/42/132322042.db2.gz ZOZGTWZJLDWVPI-DTORHVGOSA-N 1 0 238.722 1.413 10 0 BDAERO C[C@@H]1CN(c2ncccc2C[NH3+])C[C@H](C)O1 ZINC000019260981 132324312 /nfs/dbraw/zinc/32/43/12/132324312.db2.gz XAAOPINJNIZSMO-AOOOYVTPSA-N 1 0 221.304 1.154 10 0 BDAERO NC(=[NH2+])c1ccc(N2CCCC[C@@H]2CCO)nc1 ZINC000019510768 132325682 /nfs/dbraw/zinc/32/56/82/132325682.db2.gz IKFNNRQYLSHANW-LLVKDONJSA-N 1 0 248.330 1.107 10 0 BDAERO Cc1cccc(N2CCN([C@@H](C)C[NH3+])CC2)c1C ZINC000019779174 132327344 /nfs/dbraw/zinc/32/73/44/132327344.db2.gz JXQGDHAPEGLDID-ZDUSSCGKSA-N 1 0 247.386 1.773 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CCO[C@@H](C)C1 ZINC000019872145 132328475 /nfs/dbraw/zinc/32/84/75/132328475.db2.gz IQCZGZZTGZBNNS-WDEREUQCSA-N 1 0 220.316 1.931 10 0 BDAERO C[C@H]([NH3+])c1ccccc1N1CCC(C(N)=O)CC1 ZINC000019872380 132328598 /nfs/dbraw/zinc/32/85/98/132328598.db2.gz GQQFNCJVSIKROY-JTQLQIEISA-N 1 0 247.342 1.408 10 0 BDAERO C[C@H]1CN(c2ccccc2C[NH3+])C[C@H](C)O1 ZINC000020075535 132329286 /nfs/dbraw/zinc/32/92/86/132329286.db2.gz RLCZGQBPXYFAOY-QWRGUYRKSA-N 1 0 220.316 1.759 10 0 BDAERO C[C@@H]1CCCCN1c1cc(C[NH3+])ccn1 ZINC000022211670 132332774 /nfs/dbraw/zinc/33/27/74/132332774.db2.gz OCJSGPRDRNEGKJ-SNVBAGLBSA-N 1 0 205.305 1.919 10 0 BDAERO C[NH+]1CCN(c2ccc3cc(N)ccc3n2)CC1 ZINC000035060479 132337671 /nfs/dbraw/zinc/33/76/71/132337671.db2.gz KXQYCOQJQPNXCY-UHFFFAOYSA-N 1 0 242.326 1.569 10 0 BDAERO [NH3+]Cc1c(F)cccc1N1C(=O)CCCC1=O ZINC000036158715 132340224 /nfs/dbraw/zinc/34/02/24/132340224.db2.gz OYRPJVSVNHSMQX-UHFFFAOYSA-N 1 0 236.246 1.328 10 0 BDAERO [NH3+]Cc1ccccc1N1CCC[C@@H](CO)C1 ZINC000036205507 132340719 /nfs/dbraw/zinc/34/07/19/132340719.db2.gz AUXIESFHCKZAMZ-LLVKDONJSA-N 1 0 220.316 1.354 10 0 BDAERO Cc1cc[nH+]c(N2C[C@H](C)O[C@@H](C)C2)c1N ZINC000036245180 132341197 /nfs/dbraw/zinc/34/11/97/132341197.db2.gz NFFMFXCKJPUYFV-UWVGGRQHSA-N 1 0 221.304 1.586 10 0 BDAERO C[C@H](C[NH3+])CN1CC(=O)Nc2ccccc21 ZINC000036677603 132342256 /nfs/dbraw/zinc/34/22/56/132342256.db2.gz ASNFAEMEDLYGDU-SECBINFHSA-N 1 0 219.288 1.040 10 0 BDAERO CC[C@@H]1CN(c2cc[nH+]cc2N)CCO1 ZINC000036769302 132342542 /nfs/dbraw/zinc/34/25/42/132342542.db2.gz LVRBMICUVKJGFM-SECBINFHSA-N 1 0 207.277 1.279 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000040431845 132347702 /nfs/dbraw/zinc/34/77/02/132347702.db2.gz QPLHVYIDZFETHZ-OLZOCXBDSA-N 1 0 246.358 1.083 10 0 BDAERO CC(C)(C)c1cncc(N2CC[NH2+]CC2)c1 ZINC000040456492 132347862 /nfs/dbraw/zinc/34/78/62/132347862.db2.gz HYLXOINGLAULAR-UHFFFAOYSA-N 1 0 219.332 1.789 10 0 BDAERO Cc1cccc2c1N(C(=O)CC[NH3+])CCC2 ZINC000040856217 132348426 /nfs/dbraw/zinc/34/84/26/132348426.db2.gz ADDVBVNICDZADZ-UHFFFAOYSA-N 1 0 218.300 1.623 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1c(F)cccc1F ZINC000041226216 132349539 /nfs/dbraw/zinc/34/95/39/132349539.db2.gz GHOBDTVNMNSVFH-QMMMGPOBSA-N 1 0 212.243 1.763 10 0 BDAERO CCO[C@H]1CCCN(c2ccc(C(N)=[NH2+])cc2)C1 ZINC000042422637 132351658 /nfs/dbraw/zinc/35/16/58/132351658.db2.gz URPZZKXJBBYSQZ-ZDUSSCGKSA-N 1 0 247.342 1.976 10 0 BDAERO [NH3+][C@@H]1CCCN(c2nccc(Cl)n2)C1 ZINC000043220429 132352871 /nfs/dbraw/zinc/35/28/71/132352871.db2.gz VCFMMLFXVNKUQY-SSDOTTSWSA-N 1 0 212.684 1.058 10 0 BDAERO O=C1CN(C2CC[NH2+]CC2)c2ccccc2N1 ZINC000043501176 132353442 /nfs/dbraw/zinc/35/34/42/132353442.db2.gz AMNYVTQNHZUOOO-UHFFFAOYSA-N 1 0 231.299 1.197 10 0 BDAERO Cc1ccc(N2CCCC[C@H]2C[NH3+])nc1 ZINC000044559481 132354461 /nfs/dbraw/zinc/35/44/61/132354461.db2.gz JTGAGOWGRSWENF-NSHDSACASA-N 1 0 205.305 1.708 10 0 BDAERO CCC(=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000049816938 132358085 /nfs/dbraw/zinc/35/80/85/132358085.db2.gz HWPYHVXTPODAFY-UHFFFAOYSA-N 1 0 218.300 1.689 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1ccc2c(c1)CCCN2C ZINC000050285924 132358837 /nfs/dbraw/zinc/35/88/37/132358837.db2.gz PKKOLZSWYCBGCH-RNCFNFMXSA-N 1 0 220.316 1.450 10 0 BDAERO Cc1cccnc1N1CCN(C[C@@H](C)C[NH3+])CC1 ZINC000051040739 132359794 /nfs/dbraw/zinc/35/97/94/132359794.db2.gz MXRATCOJXVTNMF-LBPRGKRZSA-N 1 0 248.374 1.107 10 0 BDAERO C[NH2+]Cc1ccc(N2CCC[C@H](C)C2)nn1 ZINC000051399979 132360745 /nfs/dbraw/zinc/36/07/45/132360745.db2.gz BWZCAURWAFSNSF-JTQLQIEISA-N 1 0 220.320 1.432 10 0 BDAERO C[NH2+]Cc1ccc(N2CCCC[C@H]2C)nn1 ZINC000051399456 132360774 /nfs/dbraw/zinc/36/07/74/132360774.db2.gz KWGFUYMCKQPABL-SNVBAGLBSA-N 1 0 220.320 1.575 10 0 BDAERO CC(C)[NH2+]Cc1ccnc(N2CCO[C@H](C)C2)c1 ZINC000051400146 132360893 /nfs/dbraw/zinc/36/08/93/132360893.db2.gz ZVYLHBXBFGFEMT-GFCCVEGCSA-N 1 0 249.358 1.805 10 0 BDAERO Cc1ccc(C[NH3+])c(N2CCO[C@@H](C)C2)c1 ZINC000051578579 132361322 /nfs/dbraw/zinc/36/13/22/132361322.db2.gz KRHWEGIWIGQILS-NSHDSACASA-N 1 0 220.316 1.679 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCO[C@H]3CCC[C@@H]32)c1 ZINC000051485612 132361382 /nfs/dbraw/zinc/36/13/82/132361382.db2.gz RAHHHNBVUBWUCP-STQMWFEESA-N 1 0 247.342 1.559 10 0 BDAERO C[NH2+]CC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417309 132362234 /nfs/dbraw/zinc/36/22/34/132362234.db2.gz QROKAWNVMJHCNW-CQSZACIVSA-N 1 0 247.386 1.807 10 0 BDAERO CCC[NH2+]C[C@@H]1CCCCN1c1ncccn1 ZINC000053698707 132363161 /nfs/dbraw/zinc/36/31/61/132363161.db2.gz VUTBQEWZDHANKD-LBPRGKRZSA-N 1 0 234.347 1.835 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1cc(C)ccn1 ZINC000053706857 132363411 /nfs/dbraw/zinc/36/34/11/132363411.db2.gz YCSGHDBKFXZPKP-LBPRGKRZSA-N 1 0 219.332 1.968 10 0 BDAERO Cc1cccc(N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC000053712379 132363665 /nfs/dbraw/zinc/36/36/65/132363665.db2.gz QNDMDHXVSANBJO-QWRGUYRKSA-N 1 0 205.305 1.577 10 0 BDAERO C[C@@H](C[NH3+])C(=O)N1CCSc2ccccc21 ZINC000054344691 132364122 /nfs/dbraw/zinc/36/41/22/132364122.db2.gz TWCUTKFCUXPMJZ-VIFPVBQESA-N 1 0 236.340 1.720 10 0 BDAERO CCC[NH2+]Cc1ccnc(N2CCCCC2)n1 ZINC000054791603 132365007 /nfs/dbraw/zinc/36/50/07/132365007.db2.gz GGRAZWSDQJFEAP-UHFFFAOYSA-N 1 0 234.347 1.967 10 0 BDAERO CN(C)c1ccc(N2CC[NH2+]C(C)(C)C2)cc1 ZINC000058445757 132368106 /nfs/dbraw/zinc/36/81/06/132368106.db2.gz MYBIENAAMHCREB-UHFFFAOYSA-N 1 0 233.359 1.941 10 0 BDAERO c1cnc(N2CCC(C3CC[NH2+]CC3)CC2)nc1 ZINC000059843463 132368761 /nfs/dbraw/zinc/36/87/61/132368761.db2.gz OADQPYDINSQLLY-UHFFFAOYSA-N 1 0 246.358 1.693 10 0 BDAERO C[NH2+]CC1CCN(c2ccccc2C(N)=O)CC1 ZINC000063166382 132389600 /nfs/dbraw/zinc/38/96/00/132389600.db2.gz BHEKDSMOFHECON-UHFFFAOYSA-N 1 0 247.342 1.221 10 0 BDAERO C[NH2+]CC1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000063166396 132389846 /nfs/dbraw/zinc/38/98/46/132389846.db2.gz RWDMWSLVSNEIDY-UHFFFAOYSA-N 1 0 247.342 1.221 10 0 BDAERO COc1ccccc1N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000071522586 132392635 /nfs/dbraw/zinc/39/26/35/132392635.db2.gz LVOBGFRXNPCNHM-GHMZBOCLSA-N 1 0 220.316 1.882 10 0 BDAERO [NH3+]C1CCN(c2ccnc(Cl)n2)CC1 ZINC000073734624 132397649 /nfs/dbraw/zinc/39/76/49/132397649.db2.gz FJTSSHUVCCKRBA-UHFFFAOYSA-N 1 0 212.684 1.058 10 0 BDAERO Cc1cc(CC[NH3+])ccc1N1CCO[C@H](C)C1 ZINC000104274033 132435810 /nfs/dbraw/zinc/43/58/10/132435810.db2.gz GMSOKKJGKHIATB-GFCCVEGCSA-N 1 0 234.343 1.721 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2cccc(OC)n2)C1 ZINC000110546262 132437856 /nfs/dbraw/zinc/43/78/56/132437856.db2.gz MQMJORUKJYRVBT-GFCCVEGCSA-N 1 0 249.358 1.916 10 0 BDAERO Cc1nnc(N2CCC[C@H](C)[C@H]2C[NH3+])nc1C ZINC000229030830 132441652 /nfs/dbraw/zinc/44/16/52/132441652.db2.gz UAHZGPDQKYHYDQ-GZMMTYOYSA-N 1 0 235.335 1.052 10 0 BDAERO CC(C)[C@H]1C[N@H+](CC2(O)CCC2)CCO1 ZINC000335966125 134027996 /nfs/dbraw/zinc/02/79/96/134027996.db2.gz QQXYDXBILHQZDQ-LLVKDONJSA-N 1 0 213.321 1.258 10 0 BDAERO CC[C@@H]1C[N@@H+](C2CCC2)C[C@@H]1N1CCOCC1 ZINC000336181997 134119920 /nfs/dbraw/zinc/11/99/20/134119920.db2.gz IKJNVNXUSOIICE-OCCSQVGLSA-N 1 0 238.375 1.582 10 0 BDAERO Cc1nccc(CNC[C@H](C)[N@H+](C)C2CC2)n1 ZINC000217616247 134249608 /nfs/dbraw/zinc/24/96/08/134249608.db2.gz ORVLSELNEHKULY-JTQLQIEISA-N 1 0 234.347 1.357 10 0 BDAERO COC(C)(C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000170965449 134255992 /nfs/dbraw/zinc/25/59/92/134255992.db2.gz RBWXKMASHFSERD-LLVKDONJSA-N 1 0 240.347 1.108 10 0 BDAERO O=C(NC1C[NH2+]C1)c1cc(Cl)ccc1F ZINC000085255732 134262181 /nfs/dbraw/zinc/26/21/81/134262181.db2.gz BERJOVZGRDIXAL-UHFFFAOYSA-N 1 0 228.654 1.181 10 0 BDAERO FC(F)(F)c1ccc(NC2C[NH2+]C2)nc1 ZINC000085256715 134265633 /nfs/dbraw/zinc/26/56/33/134265633.db2.gz YNDOQGWSYZQVRR-UHFFFAOYSA-N 1 0 217.194 1.484 10 0 BDAERO CC(C)[C@@H](C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000172499232 134267580 /nfs/dbraw/zinc/26/75/80/134267580.db2.gz JKBSAPFGKXYXRH-RYUDHWBXSA-N 1 0 241.379 1.624 10 0 BDAERO Cc1ccc(C(=O)N(C)C2C[NH2+]C2)cc1Cl ZINC000085257644 134269335 /nfs/dbraw/zinc/26/93/35/134269335.db2.gz TUEMZJVHVQBTKV-UHFFFAOYSA-N 1 0 238.718 1.692 10 0 BDAERO Cc1cnc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)o1 ZINC000173652928 134275969 /nfs/dbraw/zinc/27/59/69/134275969.db2.gz GBGGMAGUZOFQJG-CMPLNLGQSA-N 1 0 235.331 1.652 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@H+](CCn1cccn1)CC2 ZINC000220394362 134306337 /nfs/dbraw/zinc/30/63/37/134306337.db2.gz XUCDMEHOMATFLK-KBPBESRZSA-N 1 0 249.358 1.510 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NCC[C@H](C)[NH3+] ZINC000178701547 134313439 /nfs/dbraw/zinc/31/34/39/134313439.db2.gz IXBATXPLWVVLPL-UWVGGRQHSA-N 1 0 200.326 1.522 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCCN(C2CC2)CC1 ZINC000179282588 134318790 /nfs/dbraw/zinc/31/87/90/134318790.db2.gz BXKTUGYWSJFBDC-UONOGXRCSA-N 1 0 238.375 1.460 10 0 BDAERO Cc1c(C[NH2+]CC(C)(C)CCCO)cnn1C ZINC000221389248 134323872 /nfs/dbraw/zinc/32/38/72/134323872.db2.gz OGKDDPCIXXMPNK-UHFFFAOYSA-N 1 0 239.363 1.617 10 0 BDAERO c1nc2n(n1)C[C@@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000180605283 134330354 /nfs/dbraw/zinc/33/03/54/134330354.db2.gz DRAIAWFARVVXQE-NSHDSACASA-N 1 0 232.331 1.371 10 0 BDAERO c1cn(CCCN2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000182763658 134347930 /nfs/dbraw/zinc/34/79/30/134347930.db2.gz GIMATLDDBYKSOM-CYBMUJFWSA-N 1 0 234.347 1.053 10 0 BDAERO Cc1nccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000226632945 134368384 /nfs/dbraw/zinc/36/83/84/134368384.db2.gz FZPJESUMLGDCBY-KBPBESRZSA-N 1 0 246.358 1.501 10 0 BDAERO CC[C@H]([NH3+])CNc1ncncc1Br ZINC000085466806 134372477 /nfs/dbraw/zinc/37/24/77/134372477.db2.gz QDMOTZHISCDRGG-LURJTMIESA-N 1 0 245.124 1.388 10 0 BDAERO Cc1c(C[NH2+]CC[C@@H]2CCCCO2)cnn1C ZINC000227337096 134378340 /nfs/dbraw/zinc/37/83/40/134378340.db2.gz UMFOCAUTQHTSJT-ZDUSSCGKSA-N 1 0 237.347 1.777 10 0 BDAERO CCOCC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000227355791 134378466 /nfs/dbraw/zinc/37/84/66/134378466.db2.gz JFMZJVDCPOVANY-KBPBESRZSA-N 1 0 240.391 1.972 10 0 BDAERO CCC[C@H](CCO)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000227417147 134380913 /nfs/dbraw/zinc/38/09/13/134380913.db2.gz WERNYQHKESURDM-OLZOCXBDSA-N 1 0 228.380 1.517 10 0 BDAERO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nnnn1C(C)C ZINC000185650038 134387738 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/nfs/dbraw/zinc/82/16/17/410821617.db2.gz PYGDTRDJVDARCZ-NWDGAFQWSA-N 1 0 229.389 1.976 10 0 BDAERO CC(C)C[NH2+]Cc1nnnn1[C@@H]1CCC[C@@H]1C ZINC000071209508 167009803 /nfs/dbraw/zinc/00/98/03/167009803.db2.gz RZHFFSONQBXFKG-WDEREUQCSA-N 1 0 237.351 1.780 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccncc2)C1 ZINC000155813788 167028254 /nfs/dbraw/zinc/02/82/54/167028254.db2.gz CHAGOYZSQXUIHT-YPMHNXCESA-N 1 0 247.342 1.540 10 0 BDAERO CC(C)NC(=O)CC[C@H](C[NH3+])c1cccnc1 ZINC000076618270 167045685 /nfs/dbraw/zinc/04/56/85/167045685.db2.gz ZDIYSSLXXFINCQ-LLVKDONJSA-N 1 0 235.331 1.429 10 0 BDAERO CC(C)NC(=O)CC[C@@H](C[NH3+])c1cccnc1 ZINC000076618267 167045970 /nfs/dbraw/zinc/04/59/70/167045970.db2.gz ZDIYSSLXXFINCQ-NSHDSACASA-N 1 0 235.331 1.429 10 0 BDAERO CC(C)NC(=O)C[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000035136139 167057900 /nfs/dbraw/zinc/05/79/00/167057900.db2.gz RHVUPIYILUTMFH-QYJAPNMZSA-N 1 0 226.364 1.925 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1csc(C)n1 ZINC000041011291 410900682 /nfs/dbraw/zinc/90/06/82/410900682.db2.gz INMNFELPEQROSI-GMSGAONNSA-N 1 0 241.360 1.441 10 0 BDAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000038092811 167079198 /nfs/dbraw/zinc/07/91/98/167079198.db2.gz IIFONKAKRUSWMA-WDEREUQCSA-N 1 0 238.331 1.713 10 0 BDAERO CC(C)NC(=O)[C@H](CCC[NH3+])c1ccccn1 ZINC000076618242 167084172 /nfs/dbraw/zinc/08/41/72/167084172.db2.gz DDJYZMVOJCTLAL-LLVKDONJSA-N 1 0 235.331 1.429 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1CCCC[C@@H]1CCO ZINC000037618236 167100999 /nfs/dbraw/zinc/10/09/99/167100999.db2.gz FBSXUVZYQRSYCX-GFCCVEGCSA-N 1 0 242.363 1.138 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N[C@@H]1CCCC[C@H]1O ZINC000052009733 167102750 /nfs/dbraw/zinc/10/27/50/167102750.db2.gz NIDRXXQSMVNMLA-VXGBXAGGSA-N 1 0 242.363 1.184 10 0 BDAERO CC(C)[NH2+]CCN1CCO[C@H]2CCC[C@@H]21 ZINC000043427130 167103615 /nfs/dbraw/zinc/10/36/15/167103615.db2.gz PYTYPAGUTOLLTC-RYUDHWBXSA-N 1 0 212.337 1.238 10 0 BDAERO CC(C)[NH2+]CCN(C)Cc1cscn1 ZINC000042867677 167105056 /nfs/dbraw/zinc/10/50/56/167105056.db2.gz HSTBIQJOFFYDIQ-UHFFFAOYSA-N 1 0 213.350 1.573 10 0 BDAERO CC(C)[NH2+]CCOCc1ccccc1C(N)=O ZINC000051862985 167108851 /nfs/dbraw/zinc/10/88/51/167108851.db2.gz JAVLKHCBWNFGMM-UHFFFAOYSA-N 1 0 236.315 1.300 10 0 BDAERO CC(C)[NH2+]C[C@@]1(O)CCOc2ccccc21 ZINC000055028817 167112577 /nfs/dbraw/zinc/11/25/77/167112577.db2.gz NMQJKVHEWBKBCG-ZDUSSCGKSA-N 1 0 221.300 1.655 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N1CCSCC1 ZINC000052425476 167114236 /nfs/dbraw/zinc/11/42/36/167114236.db2.gz ZFIXVQADLBILGE-JTQLQIEISA-N 1 0 202.367 1.422 10 0 BDAERO CC(C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000053302331 167115143 /nfs/dbraw/zinc/11/51/43/167115143.db2.gz DLFJFOXUKNMNDJ-JTQLQIEISA-N 1 0 239.340 1.556 10 0 BDAERO CC(C)[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC000051489309 167118698 /nfs/dbraw/zinc/11/86/98/167118698.db2.gz MDETZLRCQYWRRK-UHFFFAOYSA-N 1 0 216.288 1.765 10 0 BDAERO CC(C)N[C@@](C)(C(N)=O)c1cc(F)ccc1F ZINC000037446517 167137322 /nfs/dbraw/zinc/13/73/22/167137322.db2.gz PICPEUNJBKARNA-GFCCVEGCSA-N 1 0 242.269 1.663 10 0 BDAERO CC(C)OCCN1C[C@@H](C)[NH2+]CC1(C)C ZINC000062571779 167234966 /nfs/dbraw/zinc/23/49/66/167234966.db2.gz UPZBTBVQMGJFLH-LLVKDONJSA-N 1 0 214.353 1.484 10 0 BDAERO CC(C)OCCOCc1cccc(C(N)=[NH2+])c1 ZINC000019506746 167248483 /nfs/dbraw/zinc/24/84/83/167248483.db2.gz JOMHTBRVIBDJEP-UHFFFAOYSA-N 1 0 236.315 1.912 10 0 BDAERO CC(C)OCCO[C@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053556341 167248516 /nfs/dbraw/zinc/24/85/16/167248516.db2.gz BHLBORTWDDLDTG-OLZOCXBDSA-N 1 0 245.363 1.585 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037504719 167363999 /nfs/dbraw/zinc/36/39/99/167363999.db2.gz GMDIZMDMHQZFAO-GHMZBOCLSA-N 1 0 212.337 1.489 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037654827 167366396 /nfs/dbraw/zinc/36/63/96/167366396.db2.gz HTSHAUZEBKDBJC-SKDRFNHKSA-N 1 0 212.337 1.617 10 0 BDAERO CC(C)[C@@H](C)[NH2+]Cc1cn(C(C)C)nn1 ZINC000308806349 167383314 /nfs/dbraw/zinc/38/33/14/167383314.db2.gz MKUHVKZJTDYCGU-SNVBAGLBSA-N 1 0 210.325 1.993 10 0 BDAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049204008 167395996 /nfs/dbraw/zinc/39/59/96/167395996.db2.gz YNIQETIZJYZBCC-MCIONIFRSA-N 1 0 242.407 1.856 10 0 BDAERO CC(C)[C@@H](C[NH3+])N(C)CCc1ccccn1 ZINC000019843944 167396290 /nfs/dbraw/zinc/39/62/90/167396290.db2.gz BURCEWDMISRSQD-CYBMUJFWSA-N 1 0 221.348 1.539 10 0 BDAERO CC(C)[C@@](C)(CO)[NH2+]C[C@@H]1CCCN1C ZINC000398450964 410965077 /nfs/dbraw/zinc/96/50/77/410965077.db2.gz CBUGIHBIDLUKIA-NWDGAFQWSA-N 1 0 214.353 1.077 10 0 BDAERO CO[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)CC[C@H]1C ZINC000300017496 411076926 /nfs/dbraw/zinc/07/69/26/411076926.db2.gz SPKIEOXKIDFBQS-IJLUTSLNSA-N 1 0 242.363 1.243 10 0 BDAERO COc1cccnc1N1CCC[C@@H]([NH3+])C1 ZINC000107203751 411132857 /nfs/dbraw/zinc/13/28/57/411132857.db2.gz ISKUQXBRRTXEOI-SECBINFHSA-N 1 0 207.277 1.018 10 0 BDAERO Cc1cc(CNC(=O)C2CCC([NH3+])CC2)on1 ZINC000045006892 411143099 /nfs/dbraw/zinc/14/30/99/411143099.db2.gz USIOOZGFPFLTBN-UHFFFAOYSA-N 1 0 237.303 1.117 10 0 BDAERO CC(C)c1csc2nnc([C@H](C)[NH3+])n21 ZINC000058021037 167654811 /nfs/dbraw/zinc/65/48/11/167654811.db2.gz FEXADZUYTIWNAT-LURJTMIESA-N 1 0 210.306 1.934 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000309511257 411158298 /nfs/dbraw/zinc/15/82/98/411158298.db2.gz PLEARKNZWQMGHX-YIYTYNFBSA-N 1 0 210.321 1.147 10 0 BDAERO C[NH2+]CCC(=O)N[C@H](C)c1cc(F)ccc1F ZINC000043600271 411123256 /nfs/dbraw/zinc/12/32/56/411123256.db2.gz UPWUYQHREZQJDA-MRVPVSSYSA-N 1 0 242.269 1.752 10 0 BDAERO CCn1ncc2c1C(=O)CC1(CC[NH2+]CC1)C2 ZINC000584641769 411172841 /nfs/dbraw/zinc/17/28/41/411172841.db2.gz WBDTYJRFPKCHDI-UHFFFAOYSA-N 1 0 233.315 1.402 10 0 BDAERO CC(C)N1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000310554741 411242624 /nfs/dbraw/zinc/24/26/24/411242624.db2.gz XVLDWYFGYJRZQI-KBPBESRZSA-N 1 0 240.391 1.564 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NCCCC1CC1 ZINC000309563486 411174572 /nfs/dbraw/zinc/17/45/72/411174572.db2.gz LQSSAFDLEZLOES-GFCCVEGCSA-N 1 0 224.348 1.825 10 0 BDAERO Cc1noc2ncnc(NC[C@@H]([NH3+])C3CC3)c12 ZINC000129341275 411243845 /nfs/dbraw/zinc/24/38/45/411243845.db2.gz VTTYVWVVKKVWAN-MRVPVSSYSA-N 1 0 233.275 1.075 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000054788285 411193196 /nfs/dbraw/zinc/19/31/96/411193196.db2.gz ZYRLWVQXPJHEHH-JTQLQIEISA-N 1 0 225.361 1.717 10 0 BDAERO CC(C)n1cccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000050228356 167767375 /nfs/dbraw/zinc/76/73/75/167767375.db2.gz BCJUWIDVNYQCLZ-JTQLQIEISA-N 1 0 221.304 1.242 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1cscn1 ZINC000129068677 411218115 /nfs/dbraw/zinc/21/81/15/411218115.db2.gz WXUOOEFOYCTTGR-JTQLQIEISA-N 1 0 241.360 1.175 10 0 BDAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCNC2=O)c1 ZINC000658056082 411222238 /nfs/dbraw/zinc/22/22/38/411222238.db2.gz WAUMBQZKDOGJGU-GXTWGEPZSA-N 1 0 246.354 1.794 10 0 BDAERO CCC[C@H]([NH2+][C@@H]1CCNC1=O)[C@@H]1CC1(C)C ZINC000658053995 411223382 /nfs/dbraw/zinc/22/33/82/411223382.db2.gz BARAXYVXVJXYTG-GARJFASQSA-N 1 0 224.348 1.679 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CS1 ZINC000655764073 411224552 /nfs/dbraw/zinc/22/45/52/411224552.db2.gz VJHLSOKWVPFJTP-CHWFTXMASA-N 1 0 242.388 1.527 10 0 BDAERO O[C@@H]1CCC[C@H](CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000310454091 411238069 /nfs/dbraw/zinc/23/80/69/411238069.db2.gz WGNAHEUPZMZUPT-MELADBBJSA-N 1 0 238.375 1.318 10 0 BDAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1c[nH]nc1N ZINC000616657864 411240176 /nfs/dbraw/zinc/24/01/76/411240176.db2.gz YABXTXDIVGGKJF-JTQLQIEISA-N 1 0 238.335 1.554 10 0 BDAERO CON(C)C(=O)c1ccc([C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC000536959106 411265901 /nfs/dbraw/zinc/26/59/01/411265901.db2.gz ORBNMCXVDABCEN-MFKMUULPSA-N 1 0 248.326 1.785 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cnoc2)c2ccccc21 ZINC000616586816 411292724 /nfs/dbraw/zinc/29/27/24/411292724.db2.gz BZWLJNBCVBSAAV-GFCCVEGCSA-N 1 0 243.310 1.975 10 0 BDAERO CC(C)[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128889788 411295281 /nfs/dbraw/zinc/29/52/81/411295281.db2.gz ABMQBXISQYKMPN-ZJUUUORDSA-N 1 0 200.326 1.521 10 0 BDAERO C[C@H](NC(=O)CC[NH2+]C1CC1)C1CCCC1 ZINC000069805790 411295615 /nfs/dbraw/zinc/29/56/15/411295615.db2.gz MJTQSXWRICUOTH-JTQLQIEISA-N 1 0 224.348 1.823 10 0 BDAERO CCc1cc(N2CCC[C@@H]2CO)cc[nH+]1 ZINC000307798314 411300400 /nfs/dbraw/zinc/30/04/00/411300400.db2.gz ZFLJNZVDMRHCNX-GFCCVEGCSA-N 1 0 206.289 1.605 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)[C@H]1C ZINC000658241707 411307669 /nfs/dbraw/zinc/30/76/69/411307669.db2.gz NBQWJFUGIQNVPN-RCWTZXSCSA-N 1 0 210.321 1.099 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccc(O)c1 ZINC000658241797 411307713 /nfs/dbraw/zinc/30/77/13/411307713.db2.gz GEJAOYXHGLQKID-MNOVXSKESA-N 1 0 248.326 1.521 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ncc(Cl)cn1 ZINC000656609616 411308616 /nfs/dbraw/zinc/30/86/16/411308616.db2.gz RGNKHQFVXKXJNX-UHFFFAOYSA-N 1 0 214.700 1.304 10 0 BDAERO Cc1cc(C)nc(NCC2([NH3+])CCCC2)n1 ZINC000656610208 411308879 /nfs/dbraw/zinc/30/88/79/411308879.db2.gz NUCYKKDWMBAJQL-UHFFFAOYSA-N 1 0 220.320 1.777 10 0 BDAERO [NH3+]C1(CNc2ccncc2Cl)CCCC1 ZINC000656610211 411308891 /nfs/dbraw/zinc/30/88/91/411308891.db2.gz QJGUDSVQRPBRFZ-UHFFFAOYSA-N 1 0 225.723 1.840 10 0 BDAERO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000658240203 411308990 /nfs/dbraw/zinc/30/89/90/411308990.db2.gz HNEBIUQVVQUZEB-VOAKCMCISA-N 1 0 238.375 1.879 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658240750 411309130 /nfs/dbraw/zinc/30/91/30/411309130.db2.gz JKDGWMTWSVDNRJ-PWSUYJOCSA-N 1 0 224.348 1.633 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@@H]1CC1(C)C ZINC000658242700 411309171 /nfs/dbraw/zinc/30/91/71/411309171.db2.gz SUPHBDDXEAPCQW-SRVKXCTJSA-N 1 0 238.375 1.879 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@@H]1CC1(C)C ZINC000658242703 411309369 /nfs/dbraw/zinc/30/93/69/411309369.db2.gz SUPHBDDXEAPCQW-WOPDTQHZSA-N 1 0 238.375 1.879 10 0 BDAERO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658243896 411309988 /nfs/dbraw/zinc/30/99/88/411309988.db2.gz PKIBORVIOOHCSA-QJPTWQEYSA-N 1 0 224.348 1.633 10 0 BDAERO CN1C[C@@H](C[NH2+][C@H]2CCCC2(C)C)CC1=O ZINC000658245078 411310015 /nfs/dbraw/zinc/31/00/15/411310015.db2.gz VUHCSVJVXPRXFY-MNOVXSKESA-N 1 0 224.348 1.633 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658243367 411310173 /nfs/dbraw/zinc/31/01/73/411310173.db2.gz CSVANRRIPHGAGD-AXFHLTTASA-N 1 0 212.337 1.489 10 0 BDAERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C(C)C ZINC000658246420 411311068 /nfs/dbraw/zinc/31/10/68/411311068.db2.gz ZHSATMSMSLIAJY-GHMZBOCLSA-N 1 0 212.337 1.489 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402826134 411318186 /nfs/dbraw/zinc/31/81/86/411318186.db2.gz QFHNVHSJWFBACE-MEBFFEOJSA-N 1 0 248.370 1.845 10 0 BDAERO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1[NH3+] ZINC000402853767 411319601 /nfs/dbraw/zinc/31/96/01/411319601.db2.gz CIDIYHUYBUYMAV-OBPIAQAESA-N 1 0 234.343 1.394 10 0 BDAERO CC1(C)CC[NH+]([C@@H](CN)[C@@H]2CCOC2)CC1 ZINC000061819022 167923263 /nfs/dbraw/zinc/92/32/63/167923263.db2.gz IZXXIEIFJPUCLM-NEPJUHHUSA-N 1 0 226.364 1.472 10 0 BDAERO CN(C(=O)C1CCC([NH3+])CC1)c1cccnc1 ZINC000070231064 411257381 /nfs/dbraw/zinc/25/73/81/411257381.db2.gz VANDARFZRHBTFT-UHFFFAOYSA-N 1 0 233.315 1.562 10 0 BDAERO CC1(C)C[C@H]([NH2+]C2CC(CO)C2)C(C)(C)O1 ZINC000658351571 411353362 /nfs/dbraw/zinc/35/33/62/411353362.db2.gz ORSVRJRCNXJWTQ-ILDUYXDCSA-N 1 0 227.348 1.693 10 0 BDAERO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658352506 411355101 /nfs/dbraw/zinc/35/51/01/411355101.db2.gz XYJLLXMTQKTEJH-MFAVDMRSSA-N 1 0 223.320 1.150 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)c2nccn21 ZINC000658352990 411356011 /nfs/dbraw/zinc/35/60/11/411356011.db2.gz JCOPBWMLHJZXHD-AGVGLQIMSA-N 1 0 221.304 1.249 10 0 BDAERO C[C@H](Cn1ccnc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000304263093 411356027 /nfs/dbraw/zinc/35/60/27/411356027.db2.gz UGYZWKQMASWHIL-GHMZBOCLSA-N 1 0 225.336 1.268 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](CC)OC[C@H]1CC ZINC000403863785 411363680 /nfs/dbraw/zinc/36/36/80/411363680.db2.gz ZYBBVRNOXCQMEP-UTUOFQBUSA-N 1 0 242.363 1.530 10 0 BDAERO CC1(C)[C@H]([NH2+]CCCCO)[C@H]2CCO[C@H]21 ZINC000300212883 168005585 /nfs/dbraw/zinc/00/55/85/168005585.db2.gz GDVONZVXLIQACI-GMTAPVOTSA-N 1 0 213.321 1.162 10 0 BDAERO O=C(Nc1cccc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000062112113 411347052 /nfs/dbraw/zinc/34/70/52/411347052.db2.gz FHIJGVHDWBSQEU-LLVKDONJSA-N 1 0 241.294 1.783 10 0 BDAERO CC1(C[C@H]([NH3+])c2ccccc2F)OCCO1 ZINC000041245497 168050974 /nfs/dbraw/zinc/05/09/74/168050974.db2.gz QJQZGAZJMSVCNY-NSHDSACASA-N 1 0 225.263 1.979 10 0 BDAERO C[C@]1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1(F)F ZINC000659361701 411377217 /nfs/dbraw/zinc/37/72/17/411377217.db2.gz MJFPOXROXDYXDZ-KHQFGBGNSA-N 1 0 232.274 1.275 10 0 BDAERO C[C@]1(C(=O)NCCc2ccoc2)CCC[NH2+]1 ZINC000659362418 411377668 /nfs/dbraw/zinc/37/76/68/411377668.db2.gz YWJBAQIITLWRAL-GFCCVEGCSA-N 1 0 222.288 1.080 10 0 BDAERO CC(C)(C)C[N@H+](CCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000659907786 411379379 /nfs/dbraw/zinc/37/93/79/411379379.db2.gz LJOJOWYCNOZKBJ-CHWSQXEVSA-N 1 0 243.391 1.878 10 0 BDAERO CC1=CC[C@@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000309133642 168119277 /nfs/dbraw/zinc/11/92/77/168119277.db2.gz RNXSDZJUVXTFAJ-GHMZBOCLSA-N 1 0 208.305 1.353 10 0 BDAERO CC[C@@H](NC(=O)[C@@]1(COC)CCC[NH2+]1)C(C)C ZINC000659250797 411381660 /nfs/dbraw/zinc/38/16/60/411381660.db2.gz PARSILHMRMPXHL-YPMHNXCESA-N 1 0 242.363 1.306 10 0 BDAERO O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000659358758 411374992 /nfs/dbraw/zinc/37/49/92/411374992.db2.gz LFLSPZTZQABJLD-VOAKCMCISA-N 1 0 236.359 1.538 10 0 BDAERO CC1CCC(C[NH2+][C@@]2(CO)CCOC2)CC1 ZINC000309778412 168156981 /nfs/dbraw/zinc/15/69/81/168156981.db2.gz MHCPBDWEXOYCTM-WXRRBKDZSA-N 1 0 227.348 1.554 10 0 BDAERO CC1CCC(CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000038117223 168157134 /nfs/dbraw/zinc/15/71/34/168157134.db2.gz WJWKOEXQYIJQFT-UHFFFAOYSA-N 1 0 226.364 1.223 10 0 BDAERO CC1CCC(OC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000040430343 168166593 /nfs/dbraw/zinc/16/65/93/168166593.db2.gz RHJPHUZDCFAMPA-ILDUYXDCSA-N 1 0 211.305 1.860 10 0 BDAERO CC1CCN(C(=O)OC[C@H]2CCCC[NH2+]2)CC1 ZINC000092742888 168174989 /nfs/dbraw/zinc/17/49/89/168174989.db2.gz LJKRCIPDPRHYCW-GFCCVEGCSA-N 1 0 240.347 1.997 10 0 BDAERO Nc1ccc([C@@H]2CCCCN2CC[NH3+])cc1 ZINC000616615806 411390719 /nfs/dbraw/zinc/39/07/19/411390719.db2.gz BNKCBYLYZWFHIF-ZDUSSCGKSA-N 1 0 219.332 1.755 10 0 BDAERO CCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000309504244 168218597 /nfs/dbraw/zinc/21/85/97/168218597.db2.gz MOGLQYZQTVFWLC-MNOVXSKESA-N 1 0 210.321 1.387 10 0 BDAERO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404214984 411383714 /nfs/dbraw/zinc/38/37/14/411383714.db2.gz XXVATLYSKBFTOR-IHRRRGAJSA-N 1 0 240.391 1.731 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055086112 168294449 /nfs/dbraw/zinc/29/44/49/168294449.db2.gz XYALXMRKDIPWSO-ZJUUUORDSA-N 1 0 212.337 1.809 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)OC[C@@H]1CC[NH2+]C1 ZINC000051888233 168295759 /nfs/dbraw/zinc/29/57/59/168295759.db2.gz ZBCUIHHTBQNMRD-WDEREUQCSA-N 1 0 242.363 1.306 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000034938654 168295838 /nfs/dbraw/zinc/29/58/38/168295838.db2.gz RHBMKVIFKLSGMJ-WDEREUQCSA-N 1 0 242.363 1.448 10 0 BDAERO CC(C)(C[N@@H+]1C[C@H](O)[C@H](CO)C1)c1ccccc1 ZINC000657060432 411398712 /nfs/dbraw/zinc/39/87/12/411398712.db2.gz RVDQBZMJUKLFTN-JSGCOSHPSA-N 1 0 249.354 1.249 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000659340925 411399621 /nfs/dbraw/zinc/39/96/21/411399621.db2.gz PCJGHWLBGPDZJM-SDDRHHMPSA-N 1 0 226.364 1.914 10 0 BDAERO COc1cccnc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000131070552 411400913 /nfs/dbraw/zinc/40/09/13/411400913.db2.gz CLZVKODOCHQGRS-TUAOUCFPSA-N 1 0 247.342 1.654 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC(C)(C)F ZINC000659360400 411402851 /nfs/dbraw/zinc/40/28/51/411402851.db2.gz HYQZVOLUIQZMGL-VHSXEESVSA-N 1 0 230.327 1.629 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000659379898 411406243 /nfs/dbraw/zinc/40/62/43/411406243.db2.gz RZYGCHBPKQZMRN-NRUUGDAUSA-N 1 0 224.348 1.666 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000659379897 411406913 /nfs/dbraw/zinc/40/69/13/411406913.db2.gz RZYGCHBPKQZMRN-KWBADKCTSA-N 1 0 224.348 1.666 10 0 BDAERO CC(C)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056880 411407839 /nfs/dbraw/zinc/40/78/39/411407839.db2.gz CJIDZNBWHSUAGQ-HTQZYQBOSA-N 1 0 238.253 1.251 10 0 BDAERO [NH3+]CC1(CCN=c2[nH]c3ccccc3[nH]2)CC1 ZINC000404822957 411408184 /nfs/dbraw/zinc/40/81/84/411408184.db2.gz FIFPQHGGQITETJ-UHFFFAOYSA-N 1 0 230.315 1.526 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1ccc(N)cc1 ZINC000616648256 411411568 /nfs/dbraw/zinc/41/15/68/411411568.db2.gz CTEJMPLFDRCRSX-LBPRGKRZSA-N 1 0 206.289 1.662 10 0 BDAERO O=C(NC1CCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653071019 411412326 /nfs/dbraw/zinc/41/23/26/411412326.db2.gz SAWDNMGHQCMAQD-HTQZYQBOSA-N 1 0 236.237 1.053 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC2(CC2(F)F)CC1 ZINC000405057269 411415645 /nfs/dbraw/zinc/41/56/45/411415645.db2.gz NXTBMIFUORQQGC-VIFPVBQESA-N 1 0 244.285 1.244 10 0 BDAERO Cc1nc([C@@H](C)[NH2+]C2CC(CO)C2)cs1 ZINC000658357474 411417838 /nfs/dbraw/zinc/41/78/38/411417838.db2.gz VEMIYDFYGBFRGI-CUUXFQNZSA-N 1 0 226.345 1.873 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCC(F)(F)C2)C1 ZINC000405143408 411419054 /nfs/dbraw/zinc/41/90/54/411419054.db2.gz ZEJZDSDQJXMYKZ-RKDXNWHRSA-N 1 0 232.274 1.372 10 0 BDAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCN1CCC1 ZINC000336727527 411436928 /nfs/dbraw/zinc/43/69/28/411436928.db2.gz HIZWGVFVKVZVQA-NEPJUHHUSA-N 1 0 214.328 1.810 10 0 BDAERO O[C@H]1CCC[C@@H](C[NH+]2CCSCC2)C1 ZINC000306211120 411438716 /nfs/dbraw/zinc/43/87/16/411438716.db2.gz PPOPAICECNFANY-MNOVXSKESA-N 1 0 215.362 1.586 10 0 BDAERO O[C@@H]1CCC[C@H](C[NH+]2CCSCC2)C1 ZINC000306211122 411438807 /nfs/dbraw/zinc/43/88/07/411438807.db2.gz PPOPAICECNFANY-WDEREUQCSA-N 1 0 215.362 1.586 10 0 BDAERO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2CO)[nH]c1C ZINC000657369645 411484004 /nfs/dbraw/zinc/48/40/04/411484004.db2.gz AUSCJISYQYMKOV-NEPJUHHUSA-N 1 0 237.347 1.667 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CO1 ZINC000657372913 411485547 /nfs/dbraw/zinc/48/55/47/411485547.db2.gz LLFMWDGOJKKYPQ-RVMXOQNASA-N 1 0 227.348 1.695 10 0 BDAERO CC1CC(C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000309469458 411496887 /nfs/dbraw/zinc/49/68/87/411496887.db2.gz ADUYIPYEZBMNIK-ILDUYXDCSA-N 1 0 210.321 1.291 10 0 BDAERO Cc1nc(C[NH2+][C@@H]2CCO[C@H]2C)[nH]c1C ZINC000657420308 411502273 /nfs/dbraw/zinc/50/22/73/411502273.db2.gz CWTFHAZYLWXJRT-VHSXEESVSA-N 1 0 209.293 1.294 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccc[nH]2)C1 ZINC000051789462 169976412 /nfs/dbraw/zinc/97/64/12/169976412.db2.gz KRIBVLQXYNUZJR-LBPRGKRZSA-N 1 0 207.321 1.589 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657327007 411465912 /nfs/dbraw/zinc/46/59/12/411465912.db2.gz XYLDQGHQIGFVSE-LBPRGKRZSA-N 1 0 248.374 1.403 10 0 BDAERO CCN1CC[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]2C1=O ZINC000096081959 170014494 /nfs/dbraw/zinc/01/44/94/170014494.db2.gz BFFQWCYKBYIQAL-CHWSQXEVSA-N 1 0 248.326 1.580 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000328337773 170022063 /nfs/dbraw/zinc/02/20/63/170022063.db2.gz JTONUJVNDFGAKW-SDDRHHMPSA-N 1 0 212.337 1.238 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000306301744 170022628 /nfs/dbraw/zinc/02/26/28/170022628.db2.gz IOHOGNDIHPDRDI-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO CC[N@@H+]1CCc2c(cccc2OC(C)=O)C1 ZINC000031771069 170024619 /nfs/dbraw/zinc/02/46/19/170024619.db2.gz DJWSISSSSIPXFY-UHFFFAOYSA-N 1 0 219.284 1.990 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cc(C)no2)C1 ZINC000336672138 170029552 /nfs/dbraw/zinc/02/95/52/170029552.db2.gz ACVSUPYBQCWTKG-SKDRFNHKSA-N 1 0 223.320 1.413 10 0 BDAERO CCN1C[C@H]([NH2+]C[C@H](OC)C2CC2)[C@@H](C)C1 ZINC000339526789 170035751 /nfs/dbraw/zinc/03/57/51/170035751.db2.gz FDKYGFORJRDZEL-DRZSPHRISA-N 1 0 226.364 1.341 10 0 BDAERO CCN1C[C@H]([NH2+][C@H]2CCSC2)[C@@H](C)C1 ZINC000307522467 170036743 /nfs/dbraw/zinc/03/67/43/170036743.db2.gz YGCPLVVNBQZBSX-DCAQKATOSA-N 1 0 214.378 1.422 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccco2)C1 ZINC000309033279 170038036 /nfs/dbraw/zinc/03/80/36/170038036.db2.gz GKLUJSHRSSKJSL-CMPLNLGQSA-N 1 0 208.305 1.709 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2nccs2)C1 ZINC000309066961 170038279 /nfs/dbraw/zinc/03/82/79/170038279.db2.gz ZZIMZIQGSCZNDQ-VHSXEESVSA-N 1 0 225.361 1.573 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000309965423 170038612 /nfs/dbraw/zinc/03/86/12/170038612.db2.gz NFZKDXGVRUEQBF-WUHRBBMRSA-N 1 0 226.364 1.341 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000336761634 170038693 /nfs/dbraw/zinc/03/86/93/170038693.db2.gz MWAUFLFAXRKJJG-SDDRHHMPSA-N 1 0 228.405 1.669 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000336778759 170040243 /nfs/dbraw/zinc/04/02/43/170040243.db2.gz MFSSFAHPOFQMHH-WUHRBBMRSA-N 1 0 226.364 1.341 10 0 BDAERO CCNC(=[NH2+])N(C)Cc1cccc(F)c1 ZINC000052037319 170041410 /nfs/dbraw/zinc/04/14/10/170041410.db2.gz FTXCBVRQVLIEPW-UHFFFAOYSA-N 1 0 209.268 1.802 10 0 BDAERO CCNC(=[NH2+])N(C)Cc1ccccc1OC ZINC000052038760 170041419 /nfs/dbraw/zinc/04/14/19/170041419.db2.gz LBFUYMVIJLRIJE-UHFFFAOYSA-N 1 0 221.304 1.671 10 0 BDAERO CCNC(=[NH2+])N[C@@H]1CCc2ccccc2C1 ZINC000052042389 170041943 /nfs/dbraw/zinc/04/19/43/170041943.db2.gz BJFYJABYVISHNM-GFCCVEGCSA-N 1 0 217.316 1.678 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccco1 ZINC000076585046 170053099 /nfs/dbraw/zinc/05/30/99/170053099.db2.gz BATAIWNTIAQJJJ-VIFPVBQESA-N 1 0 210.277 1.238 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1ccc(F)cc1 ZINC000076620545 170054488 /nfs/dbraw/zinc/05/44/88/170054488.db2.gz YYLVZBJLIGHNJV-LLVKDONJSA-N 1 0 238.306 1.784 10 0 BDAERO CCNC(=O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852803 170065581 /nfs/dbraw/zinc/06/55/81/170065581.db2.gz AYTJMTZASZTVEP-LLVKDONJSA-N 1 0 234.299 1.105 10 0 BDAERO CCNC(=O)N(C)Cc1cccc(C[NH3+])c1 ZINC000037034821 170071732 /nfs/dbraw/zinc/07/17/32/170071732.db2.gz MCPKQJHBYHXTGX-UHFFFAOYSA-N 1 0 221.304 1.307 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccccc1 ZINC000076610253 170090083 /nfs/dbraw/zinc/09/00/83/170090083.db2.gz CPODZCWXVPUURS-LBPRGKRZSA-N 1 0 220.316 1.645 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000036794997 170095619 /nfs/dbraw/zinc/09/56/19/170095619.db2.gz JOJVMLZGHZWCAT-ZJUUUORDSA-N 1 0 236.315 1.567 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@@H](C)C1 ZINC000061278545 170106396 /nfs/dbraw/zinc/10/63/96/170106396.db2.gz SGDUJCXQLADDNW-SNVBAGLBSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@@H]2CC[C@H]1C2 ZINC000061299106 170107035 /nfs/dbraw/zinc/10/70/35/170107035.db2.gz SHOQHNFTZGOWLZ-ZJUUUORDSA-N 1 0 210.321 1.385 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104239089 170107429 /nfs/dbraw/zinc/10/74/29/170107429.db2.gz BCVFZSKYSBCBGH-QJPTWQEYSA-N 1 0 238.375 1.927 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000061292981 170107675 /nfs/dbraw/zinc/10/76/75/170107675.db2.gz NDPLJMPMJHMWHQ-UHFFFAOYSA-N 1 0 248.326 1.948 10 0 BDAERO CC[NH2+]CCC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000061296486 170111472 /nfs/dbraw/zinc/11/14/72/170111472.db2.gz VAZOXSUUOUPNAU-NSHDSACASA-N 1 0 235.331 1.601 10 0 BDAERO CC[NH2+]CCC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000061289576 170111610 /nfs/dbraw/zinc/11/16/10/170111610.db2.gz BIOCCZMLKGEFHG-CYBMUJFWSA-N 1 0 247.342 1.745 10 0 BDAERO CC[NH2+]CCC(=O)N(Cc1cccnc1)C1CC1 ZINC000061294310 170112195 /nfs/dbraw/zinc/11/21/95/170112195.db2.gz CEISPFFQGHQGEN-UHFFFAOYSA-N 1 0 247.342 1.572 10 0 BDAERO CC[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000020525451 170116445 /nfs/dbraw/zinc/11/64/45/170116445.db2.gz BSUIYDSRSIGILG-UHFFFAOYSA-N 1 0 209.245 1.404 10 0 BDAERO CC[NH2+]CC[C@@H](O)c1ccc(OC)c(F)c1 ZINC000049820798 170117220 /nfs/dbraw/zinc/11/72/20/170117220.db2.gz LQUSJEGUZZTJAA-LLVKDONJSA-N 1 0 227.279 1.867 10 0 BDAERO CC[NH2+]CCc1ccc2c(c1)OCCCO2 ZINC000055231295 170118446 /nfs/dbraw/zinc/11/84/46/170118446.db2.gz VFRPLNLSKGXREV-UHFFFAOYSA-N 1 0 221.300 2.000 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc(OC)c(C)c1 ZINC000049814552 170119817 /nfs/dbraw/zinc/11/98/17/170119817.db2.gz IESYIZMNVMAQLV-LLVKDONJSA-N 1 0 209.289 1.647 10 0 BDAERO CC[NH2+]C[C@@H](O)c1cc(CC)ccc1OC ZINC000071531131 170120088 /nfs/dbraw/zinc/12/00/88/170120088.db2.gz WKYTYBRYFTZOBK-GFCCVEGCSA-N 1 0 223.316 1.901 10 0 BDAERO CC[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000062721125 170120264 /nfs/dbraw/zinc/12/02/64/170120264.db2.gz RVSBOWLDBIGDOB-SECBINFHSA-N 1 0 219.206 1.747 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1cc(CC)ncn1 ZINC000053696997 170120412 /nfs/dbraw/zinc/12/04/12/170120412.db2.gz PIZZQTYCDXWUOP-LBPRGKRZSA-N 1 0 234.347 1.617 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000061265930 170120861 /nfs/dbraw/zinc/12/08/61/170120861.db2.gz LOQBPKOJGHQMNA-NWDGAFQWSA-N 1 0 249.358 1.847 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1ncccc1F ZINC000054701289 170122346 /nfs/dbraw/zinc/12/23/46/170122346.db2.gz ZMKMWTNDMGJMJE-SNVBAGLBSA-N 1 0 223.295 1.799 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(Cc2noc(C)n2)C1 ZINC000104409010 170123143 /nfs/dbraw/zinc/12/31/43/170123143.db2.gz HWAKCQWYDFKCPM-LLVKDONJSA-N 1 0 238.335 1.200 10 0 BDAERO CC[NH2+]C[C@H]1CC[C@H](Cn2nc(C)cc2C)O1 ZINC000052575913 170123485 /nfs/dbraw/zinc/12/34/85/170123485.db2.gz VXYYRQOOWABBQQ-CHWSQXEVSA-N 1 0 237.347 1.657 10 0 BDAERO CC[NH2+]C[C@](O)(CC)c1ccc(OC)cc1 ZINC000032014670 170123652 /nfs/dbraw/zinc/12/36/52/170123652.db2.gz YLHKYUGMELPMGW-CYBMUJFWSA-N 1 0 223.316 1.902 10 0 BDAERO CC[NH2+]Cc1ccc(-n2nc(C)nc2C)nc1 ZINC000051488541 170126539 /nfs/dbraw/zinc/12/65/39/170126539.db2.gz DOIFWFNIDODDOA-UHFFFAOYSA-N 1 0 231.303 1.389 10 0 BDAERO CC[NH2+]Cc1ccc(-n2cncn2)cc1C ZINC000050585112 170126628 /nfs/dbraw/zinc/12/66/28/170126628.db2.gz IWNPRPQSRIJECR-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1ccccc1-n1cccn1 ZINC000034825174 170128238 /nfs/dbraw/zinc/12/82/38/170128238.db2.gz RSHZHDBFIGFMRH-UHFFFAOYSA-N 1 0 201.273 1.982 10 0 BDAERO CC[NH2+]Cc1cccc(N(C)[C@H](C)COC)n1 ZINC000051482590 170128649 /nfs/dbraw/zinc/12/86/49/170128649.db2.gz GLVMDMXBUQOCPI-LLVKDONJSA-N 1 0 237.347 1.662 10 0 BDAERO CC[NH2+]Cc1ccnc(-c2cc(C)ccn2)n1 ZINC000104424229 170129035 /nfs/dbraw/zinc/12/90/35/170129035.db2.gz FVQSMXRKXSHOQV-UHFFFAOYSA-N 1 0 228.299 1.957 10 0 BDAERO CC[NH2+]Cc1cnc(-c2ccncc2)nc1 ZINC000054855723 170129273 /nfs/dbraw/zinc/12/92/73/170129273.db2.gz NVLHDESCFBNKJZ-UHFFFAOYSA-N 1 0 214.272 1.648 10 0 BDAERO CC[NH2+]Cc1cnn([C@@H]2CCCC[C@H]2O)c1 ZINC000054600003 170130867 /nfs/dbraw/zinc/13/08/67/170130867.db2.gz JARFRMXUMZGKKT-VXGBXAGGSA-N 1 0 223.320 1.469 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H]1CCC[C@H](C)C1 ZINC000054745230 170131526 /nfs/dbraw/zinc/13/15/26/170131526.db2.gz FZXAHBXHSHNEOA-VHSXEESVSA-N 1 0 223.324 1.534 10 0 BDAERO CC[NH2+]Cc1nnc(-c2cccc(O)c2)o1 ZINC000050615687 170131564 /nfs/dbraw/zinc/13/15/64/170131564.db2.gz SEBUJNVIQHEHFX-UHFFFAOYSA-N 1 0 219.244 1.552 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1cccc(Cl)c1 ZINC000037869650 170138326 /nfs/dbraw/zinc/13/83/26/170138326.db2.gz HMJADUBYZIIVNR-SECBINFHSA-N 1 0 212.680 1.476 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N(C)C1CCCC1 ZINC000061269447 170139403 /nfs/dbraw/zinc/13/94/03/170139403.db2.gz ROIRZHITWKOBQS-JTQLQIEISA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+][C@@H](C)Cc1csc(CCOC)n1 ZINC000076783658 170140527 /nfs/dbraw/zinc/14/05/27/170140527.db2.gz ISHCYZNVXKMQKQ-VIFPVBQESA-N 1 0 228.361 1.873 10 0 BDAERO CC[NH2+][C@@H]1CCCCC[C@H]1S(C)(=O)=O ZINC000054930360 170150418 /nfs/dbraw/zinc/15/04/18/170150418.db2.gz LFOLMFYYASNPKQ-NXEZZACHSA-N 1 0 219.350 1.342 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccncc2)C[C@@H]1C ZINC000049712467 170151512 /nfs/dbraw/zinc/15/15/12/170151512.db2.gz DDPUSHHPHFFENM-GXTWGEPZSA-N 1 0 233.359 1.902 10 0 BDAERO CC[NH2+][C@@H]1CCN(C2(C)CCCCC2)C1=O ZINC000045046018 170151724 /nfs/dbraw/zinc/15/17/24/170151724.db2.gz TWHLXLBGPWRUGN-LLVKDONJSA-N 1 0 224.348 1.920 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(OC)c(C)c2)C1=O ZINC000049660053 170152578 /nfs/dbraw/zinc/15/25/78/170152578.db2.gz HCOGHKKUDOMXDA-GFCCVEGCSA-N 1 0 248.326 1.718 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccccc2OC)C1=O ZINC000049647169 170152892 /nfs/dbraw/zinc/15/28/92/170152892.db2.gz BJLSZPSFPFRPBF-SNVBAGLBSA-N 1 0 234.299 1.410 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@H]1n1cc(C)cn1 ZINC000043999575 170152919 /nfs/dbraw/zinc/15/29/19/170152919.db2.gz XZPWRBNRVBEGPY-GHMZBOCLSA-N 1 0 209.293 1.131 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cccc(C)c2)C1=O ZINC000049647909 170152984 /nfs/dbraw/zinc/15/29/84/170152984.db2.gz UOPKSHNMBWGQAX-GFCCVEGCSA-N 1 0 218.300 1.710 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(C)cc2F)C1=O ZINC000049647957 170153194 /nfs/dbraw/zinc/15/31/94/170153194.db2.gz POWLQFCBJVRCAM-LLVKDONJSA-N 1 0 236.290 1.849 10 0 BDAERO CCN[C@@H]1c2cc(F)ccc2S(=O)(=O)[C@@H]1C ZINC000043636325 170155221 /nfs/dbraw/zinc/15/52/21/170155221.db2.gz XYKJREPMPZVFQB-HQJQHLMTSA-N 1 0 243.303 1.652 10 0 BDAERO CC[NH2+][C@H](C)Cc1csc(CCOC)n1 ZINC000076783661 170158233 /nfs/dbraw/zinc/15/82/33/170158233.db2.gz ISHCYZNVXKMQKQ-SECBINFHSA-N 1 0 228.361 1.873 10 0 BDAERO CC[NH2+][C@H](C)c1csc(CN(C)C)n1 ZINC000070841492 170159815 /nfs/dbraw/zinc/15/98/15/170159815.db2.gz MOANXKDIKHWJIO-MRVPVSSYSA-N 1 0 213.350 1.875 10 0 BDAERO CC[NH2+][C@H](CCO)[C@@H]1COc2ccccc2O1 ZINC000095091417 170161799 /nfs/dbraw/zinc/16/17/99/170161799.db2.gz CTHHDISIMLYCNP-MFKMUULPSA-N 1 0 237.299 1.187 10 0 BDAERO CC[NH2+][C@H](c1ccncc1)c1cncnc1 ZINC000052887096 170165156 /nfs/dbraw/zinc/16/51/56/170165156.db2.gz WLWAMOWWMVTIDV-GFCCVEGCSA-N 1 0 214.272 1.571 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1N1CCOC(C)(C)C1 ZINC000043897827 170166900 /nfs/dbraw/zinc/16/69/00/170166900.db2.gz FTZYPXKHOIKKBI-NWDGAFQWSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+][C@H]1CCC[C@@H]1N1CCOCC1(C)C ZINC000043916971 170167347 /nfs/dbraw/zinc/16/73/47/170167347.db2.gz JPTFANCYELUTEB-RYUDHWBXSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C1=O ZINC000049660128 170167613 /nfs/dbraw/zinc/16/76/13/170167613.db2.gz JEOINMSETSZADS-JTQLQIEISA-N 1 0 239.344 1.162 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccccc2C)C1=O ZINC000049648846 170167924 /nfs/dbraw/zinc/16/79/24/170167924.db2.gz KZQMXMWCOIEESE-ZDUSSCGKSA-N 1 0 232.327 1.705 10 0 BDAERO CC[NH2+][C@]1(C(N)=O)C[C@@H](C)CC(C)(C)C1 ZINC000037869533 170170691 /nfs/dbraw/zinc/17/06/91/170170691.db2.gz SZOJLIMLGFJDAC-JOYOIKCWSA-N 1 0 212.337 1.666 10 0 BDAERO CCOC(=O)C1(NCC[NH+](CC)CC)CCC1 ZINC000052140372 170190739 /nfs/dbraw/zinc/19/07/39/170190739.db2.gz QHUBUMVQRHHZJQ-UHFFFAOYSA-N 1 0 242.363 1.404 10 0 BDAERO CCOC(=O)C1(N2CCC[NH2+]CC2)CCCC1 ZINC000037959543 170190890 /nfs/dbraw/zinc/19/08/90/170190890.db2.gz PXESEWSQVXDHLE-UHFFFAOYSA-N 1 0 240.347 1.158 10 0 BDAERO CCOC(=O)COc1ccc(C)cc1C[NH2+]C ZINC000071403641 170228973 /nfs/dbraw/zinc/22/89/73/170228973.db2.gz MCZUULSMDOIJDM-UHFFFAOYSA-N 1 0 237.299 1.656 10 0 BDAERO CCOC(=O)C[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000062052990 170231366 /nfs/dbraw/zinc/23/13/66/170231366.db2.gz WRJPUMRMELVPGS-LLVKDONJSA-N 1 0 236.315 1.821 10 0 BDAERO CCOC(=O)C[C@@H]1[NH2+]CCc2ccc(OC)cc21 ZINC000040435330 170232540 /nfs/dbraw/zinc/23/25/40/170232540.db2.gz HFXHISVDFNVEKF-ZDUSSCGKSA-N 1 0 249.310 1.835 10 0 BDAERO CCOC(=O)Cn1c(N)[nH+]c2ccccc21 ZINC000034181573 170237116 /nfs/dbraw/zinc/23/71/16/170237116.db2.gz ZEYBBGFHRNAPDL-UHFFFAOYSA-N 1 0 219.244 1.182 10 0 BDAERO CCOC(=O)N1CCC(N2CCCC2=[NH2+])CC1 ZINC000020444369 170239155 /nfs/dbraw/zinc/23/91/55/170239155.db2.gz IMKHLXLKSNWZSI-UHFFFAOYSA-N 1 0 239.319 1.680 10 0 BDAERO CCOC(=O)N1C[C@H](C)C([NH3+])[C@@H](C)C1 ZINC000039084821 170241081 /nfs/dbraw/zinc/24/10/81/170241081.db2.gz SHTUTXIOXCCHBW-YUMQZZPRSA-N 1 0 200.282 1.058 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000019414230 170242954 /nfs/dbraw/zinc/24/29/54/170242954.db2.gz QVUINUQBAMQMNA-NSHDSACASA-N 1 0 238.287 1.441 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1ccc(CC)cc1 ZINC000019416036 170243072 /nfs/dbraw/zinc/24/30/72/170243072.db2.gz WYCYPXJVVGOIKU-GFCCVEGCSA-N 1 0 236.315 1.995 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1ccccc1OC ZINC000019421223 170243193 /nfs/dbraw/zinc/24/31/93/170243193.db2.gz HYXXLXPUGGHMIQ-SNVBAGLBSA-N 1 0 238.287 1.441 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000019420957 170243278 /nfs/dbraw/zinc/24/32/78/170243278.db2.gz CHQKHCYTXPGXCU-NSHDSACASA-N 1 0 238.287 1.441 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1cccc(F)c1 ZINC000019421685 170243303 /nfs/dbraw/zinc/24/33/03/170243303.db2.gz BRHZYSVWTYASLS-SNVBAGLBSA-N 1 0 226.251 1.572 10 0 BDAERO CCOC(=O)Nc1cc(N)c2c([nH+]1)NCC(C)=N2 ZINC000031667272 170243751 /nfs/dbraw/zinc/24/37/51/170243751.db2.gz XXGFFNBGEZKXKS-UHFFFAOYSA-N 1 0 249.274 1.750 10 0 BDAERO CCOC(=O)[C@@H]1CC[C@H]([NH3+])c2occc21 ZINC000091305124 170259425 /nfs/dbraw/zinc/25/94/25/170259425.db2.gz IZUBBZMSOLADMA-BDAKNGLRSA-N 1 0 209.245 1.720 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+][C@@H]2CCCC[C@@H]2C1 ZINC000226603141 170259767 /nfs/dbraw/zinc/25/97/67/170259767.db2.gz BWTLBDSZVWRFHD-OUAUKWLOSA-N 1 0 211.305 1.718 10 0 BDAERO CCOC(=O)[C@H](C)N[C@H](C)C[NH+]1CCCCC1 ZINC000043642157 170268429 /nfs/dbraw/zinc/26/84/29/170268429.db2.gz UQWKGVIRVPEUJC-NEPJUHHUSA-N 1 0 242.363 1.402 10 0 BDAERO CCOC(=O)[C@H](CC[N@H+](CC)[C@@H](C)CC)NC ZINC000062446430 170272619 /nfs/dbraw/zinc/27/26/19/170272619.db2.gz LGNJZVKSKMVKOB-RYUDHWBXSA-N 1 0 244.379 1.648 10 0 BDAERO CCOC(=O)[C@H](C[N@H+](C)CC1CCCC1)NC ZINC000104353841 170273291 /nfs/dbraw/zinc/27/32/91/170273291.db2.gz WVFOAVSFPRBBNU-LBPRGKRZSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@H](N)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000062443620 170273976 /nfs/dbraw/zinc/27/39/76/170273976.db2.gz FPRPROXUSGZGSA-SDDRHHMPSA-N 1 0 242.363 1.530 10 0 BDAERO CCOC(=O)c1c(C)[nH+]c2ccc(N)cc2c1N ZINC000090463933 170288233 /nfs/dbraw/zinc/28/82/33/170288233.db2.gz RGHPSUAAIQUWGO-UHFFFAOYSA-N 1 0 245.282 1.884 10 0 BDAERO CCOC(=O)c1ccc(NC[C@@H]([NH3+])CC)nc1 ZINC000111304742 170296738 /nfs/dbraw/zinc/29/67/38/170296738.db2.gz MBXOEFQPVGXGKA-JTQLQIEISA-N 1 0 237.303 1.408 10 0 BDAERO CCOC(=O)c1ccc(O[C@H](C)C[NH2+]C)nc1 ZINC000051867568 170296941 /nfs/dbraw/zinc/29/69/41/170296941.db2.gz FAOVHHIHSMALKM-SECBINFHSA-N 1 0 238.287 1.245 10 0 BDAERO CCOC(=O)c1cnc([C@H](C)[NH3+])s1 ZINC000097757655 170302343 /nfs/dbraw/zinc/30/23/43/170302343.db2.gz NVCNZNGSQJKWES-YFKPBYRVSA-N 1 0 200.263 1.340 10 0 BDAERO CCOC(=O)c1csc([C@H]([NH3+])C(C)C)n1 ZINC000075854210 170305714 /nfs/dbraw/zinc/30/57/14/170305714.db2.gz FMFFCNPPDJRMEX-MRVPVSSYSA-N 1 0 228.317 1.976 10 0 BDAERO CCOC(C)(C)C[NH2+]Cc1cnn(C)c1C ZINC000166960707 170313259 /nfs/dbraw/zinc/31/32/59/170313259.db2.gz MQCHYHYYNQTVND-UHFFFAOYSA-N 1 0 225.336 1.633 10 0 BDAERO CCOCC(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000037757807 170337533 /nfs/dbraw/zinc/33/75/33/170337533.db2.gz SMRULEDFFBHSMN-UHFFFAOYSA-N 1 0 236.315 1.140 10 0 BDAERO CCOCCC[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033721 170380524 /nfs/dbraw/zinc/38/05/24/170380524.db2.gz GEBPZHSXIPRFGH-FOSCPWQOSA-N 1 0 215.337 1.959 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]3COC[C@@H]32)C1 ZINC000660778605 411627803 /nfs/dbraw/zinc/62/78/03/411627803.db2.gz FOYDRSACLMZPFP-DGAVXFQQSA-N 1 0 239.359 1.648 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCOC1(C)C ZINC000663371717 411639417 /nfs/dbraw/zinc/63/94/17/411639417.db2.gz VXFRYMAXEKPMLP-QWRGUYRKSA-N 1 0 229.364 1.798 10 0 BDAERO CCOCCOCc1ccc(C(N)=[NH2+])cc1F ZINC000019503233 170420545 /nfs/dbraw/zinc/42/05/45/170420545.db2.gz NNVUCSIXLXWPMD-UHFFFAOYSA-N 1 0 240.278 1.663 10 0 BDAERO CC(C)C(C[NH2+]C[C@@H]1CC(=O)N(C)C1)C(C)C ZINC000657695889 411581061 /nfs/dbraw/zinc/58/10/61/411581061.db2.gz PXCCOXAQUFGWKC-LBPRGKRZSA-N 1 0 240.391 1.983 10 0 BDAERO Cc1ccccc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657695248 411581114 /nfs/dbraw/zinc/58/11/14/411581114.db2.gz WUOQSFCLHZXSLE-LBPRGKRZSA-N 1 0 232.327 1.563 10 0 BDAERO CN1C[C@@H](C[NH2+]C/C=C\c2ccccc2)CC1=O ZINC000657697148 411581685 /nfs/dbraw/zinc/58/16/85/411581685.db2.gz NBVDMGGPKKVMLQ-BMWLXYDHSA-N 1 0 244.338 1.768 10 0 BDAERO CCc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)o1 ZINC000657697550 411581700 /nfs/dbraw/zinc/58/17/00/411581700.db2.gz PUDPWCUAANWEKM-SNVBAGLBSA-N 1 0 236.315 1.410 10 0 BDAERO Cc1cnc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)s1 ZINC000657697498 411581979 /nfs/dbraw/zinc/58/19/79/411581979.db2.gz SJMQCASOKBPNKN-VIFPVBQESA-N 1 0 239.344 1.019 10 0 BDAERO CC[C@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C)CC(F)F ZINC000660475588 411590279 /nfs/dbraw/zinc/59/02/79/411590279.db2.gz CBYHBRMIRQAJGG-LPEHRKFASA-N 1 0 248.317 1.925 10 0 BDAERO CC(C)[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)CCO1 ZINC000657810734 411602883 /nfs/dbraw/zinc/60/28/83/411602883.db2.gz JMOBNPLLROHEOH-MVKMKZAISA-N 1 0 227.348 1.551 10 0 BDAERO OCC1CC([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000657811683 411603425 /nfs/dbraw/zinc/60/34/25/411603425.db2.gz ZPNJXYNOAIPMBB-UHFFFAOYSA-N 1 0 245.273 1.009 10 0 BDAERO Cc1cc(F)ccc1C[NH2+]C1CC(CO)C1 ZINC000657813447 411603456 /nfs/dbraw/zinc/60/34/56/411603456.db2.gz YREWKFDRRNNRQG-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO OCC1CC([NH2+]Cc2cccc3c2OCCO3)C1 ZINC000657813132 411604349 /nfs/dbraw/zinc/60/43/49/411604349.db2.gz RDIDGVVTACROQS-UHFFFAOYSA-N 1 0 249.310 1.318 10 0 BDAERO CCO[C@@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186532592 170471290 /nfs/dbraw/zinc/47/12/90/170471290.db2.gz CQWDVBSCVROUJG-WDEREUQCSA-N 1 0 240.347 1.154 10 0 BDAERO CCCc1nccnc1NCC[N@H+](C)C1CC1 ZINC000663423982 411655661 /nfs/dbraw/zinc/65/56/61/411655661.db2.gz GUNJEDXIJLAXFP-UHFFFAOYSA-N 1 0 234.347 1.935 10 0 BDAERO CCOc1ccc([C@H]2NC(=O)CC[C@H]2[NH3+])cc1 ZINC000057523776 170565440 /nfs/dbraw/zinc/56/54/40/170565440.db2.gz XTUXDMWIYSKSBG-DGCLKSJQSA-N 1 0 234.299 1.364 10 0 BDAERO CCOc1ccccc1OCC[C@@H](O)C[NH3+] ZINC000019668524 170596757 /nfs/dbraw/zinc/59/67/57/170596757.db2.gz NGOBKDHKGXQFRE-SNVBAGLBSA-N 1 0 225.288 1.174 10 0 BDAERO CCOc1cncc(N[C@@H](C)CCCC[NH3+])n1 ZINC000336714487 170601737 /nfs/dbraw/zinc/60/17/37/170601737.db2.gz PBPOOTBJFIALCF-JTQLQIEISA-N 1 0 238.335 1.805 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772024 411726607 /nfs/dbraw/zinc/72/66/07/411726607.db2.gz RTTZRFQRRTYIDE-GWCFXTLKSA-N 1 0 248.330 1.057 10 0 BDAERO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C)C[C@H](C)[C@H]1O ZINC000661621954 411819875 /nfs/dbraw/zinc/81/98/75/411819875.db2.gz QJTIGIYVBOXTRS-QNWHQSFQSA-N 1 0 226.364 1.029 10 0 BDAERO CC[C@@H](C)N(CCOC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000042591129 170731278 /nfs/dbraw/zinc/73/12/78/170731278.db2.gz KRAVAAJKZCVDAN-VXGBXAGGSA-N 1 0 242.363 1.260 10 0 BDAERO CC[C@@H](C)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000037394505 170750283 /nfs/dbraw/zinc/75/02/83/170750283.db2.gz NUPJTNIWHHGTEC-WDEREUQCSA-N 1 0 212.337 1.633 10 0 BDAERO CC(=O)N1CCC[C@@H](c2ccc(N)nc2)C1 ZINC000616619278 411853977 /nfs/dbraw/zinc/85/39/77/411853977.db2.gz FCDKKHRFWPMUNS-LLVKDONJSA-N 1 0 219.288 1.390 10 0 BDAERO CC(=O)N1CCC[C@@H](c2ccnc(N)c2)C1 ZINC000616619966 411856023 /nfs/dbraw/zinc/85/60/23/411856023.db2.gz LWNYAGCNKQNKAA-LLVKDONJSA-N 1 0 219.288 1.390 10 0 BDAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1c[nH]nc1N ZINC000616680459 411858180 /nfs/dbraw/zinc/85/81/80/411858180.db2.gz VBNZUZSOSLURAS-ZDUSSCGKSA-N 1 0 242.326 1.959 10 0 BDAERO CC(C)(C)[N@@H+]1CC[C@H](n2ccc(N)n2)C1 ZINC000616613812 411863118 /nfs/dbraw/zinc/86/31/18/411863118.db2.gz RJADXJMZHPYVBD-VIFPVBQESA-N 1 0 208.309 1.511 10 0 BDAERO CCOC(=O)N1CCC[C@H](c2ccnc(N)c2)C1 ZINC000616617297 411863706 /nfs/dbraw/zinc/86/37/06/411863706.db2.gz MMBMJBJBDWCBGV-NSHDSACASA-N 1 0 249.314 2.000 10 0 BDAERO CC(C)(C)[N@@H+]1CC[C@@H](n2ccc(N)n2)C1 ZINC000616614601 411863731 /nfs/dbraw/zinc/86/37/31/411863731.db2.gz RJADXJMZHPYVBD-SECBINFHSA-N 1 0 208.309 1.511 10 0 BDAERO C[N@@H+]1CCO[C@H](c2ccc(N)nc2)CC1 ZINC000616686988 411890917 /nfs/dbraw/zinc/89/09/17/411890917.db2.gz ONZHQWVTWFEUSJ-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3C[C@H]3C2)C1 ZINC000661968069 411925315 /nfs/dbraw/zinc/92/53/15/411925315.db2.gz UEEKJHAZUFRTOV-ZDEQEGDKSA-N 1 0 209.333 1.879 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@H](c2c[nH]nc2N)CC1 ZINC000616602055 411871793 /nfs/dbraw/zinc/87/17/93/411871793.db2.gz QXCQNZCOSXNUQL-SNVBAGLBSA-N 1 0 222.336 1.970 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@H](c2c[nH]nc2N)C1 ZINC000616617214 411871922 /nfs/dbraw/zinc/87/19/22/411871922.db2.gz NKJKEMAZNQDIFS-SECBINFHSA-N 1 0 208.309 1.580 10 0 BDAERO CC[C@@H]([NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000019968200 170869810 /nfs/dbraw/zinc/86/98/10/170869810.db2.gz JPZAEISOXLTIMS-SNVBAGLBSA-N 1 0 204.273 1.981 10 0 BDAERO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)C1CC1 ZINC000123522573 170899347 /nfs/dbraw/zinc/89/93/47/170899347.db2.gz XRAYYBHMEJBSJK-WCQYABFASA-N 1 0 226.364 1.485 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1=O)C(C)C ZINC000042587184 170909152 /nfs/dbraw/zinc/90/91/52/170909152.db2.gz MZFTURRSMQRBPY-GHMZBOCLSA-N 1 0 240.347 1.547 10 0 BDAERO Nc1ccc([C@H]2[NH2+]CCc3ccccc32)cn1 ZINC000616585531 411961881 /nfs/dbraw/zinc/96/18/81/411961881.db2.gz QDMJHFMTMLZEJN-CQSZACIVSA-N 1 0 225.295 1.899 10 0 BDAERO CC[C@@H]1CCCN1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000037915195 170978706 /nfs/dbraw/zinc/97/87/06/170978706.db2.gz KZROZARQUXXHPW-VXGBXAGGSA-N 1 0 224.348 1.920 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000336747104 171059454 /nfs/dbraw/zinc/05/94/54/171059454.db2.gz BTBICCIOCUEHOO-IJLUTSLNSA-N 1 0 212.337 1.095 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+]CCn1cc(C)cn1 ZINC000336736718 171059547 /nfs/dbraw/zinc/05/95/47/171059547.db2.gz PPLIBOAXTODCDL-VXGBXAGGSA-N 1 0 207.321 1.970 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC000036770507 171068936 /nfs/dbraw/zinc/06/89/36/171068936.db2.gz RNTSISJDARCMEZ-SDDRHHMPSA-N 1 0 240.347 1.012 10 0 BDAERO CC[C@@H]1C[N@H+](CC2(CO)CCCC2)CCN1C ZINC000104127389 171075624 /nfs/dbraw/zinc/07/56/24/171075624.db2.gz IOINUDMDJCTPOS-CYBMUJFWSA-N 1 0 240.391 1.565 10 0 BDAERO CC[C@@H]1CN(Cc2cc(C[NH3+])oc2C)CCO1 ZINC000052477212 171089678 /nfs/dbraw/zinc/08/96/78/171089678.db2.gz LIAWGKAOMWWRAQ-GFCCVEGCSA-N 1 0 238.331 1.658 10 0 BDAERO CC[C@@H]1CN(Cc2csc(C[NH3+])n2)CCO1 ZINC000052477205 171091389 /nfs/dbraw/zinc/09/13/89/171091389.db2.gz SNTDDZARVOKGHY-SNVBAGLBSA-N 1 0 241.360 1.213 10 0 BDAERO CC[C@@H]1CN(c2nccs2)[C@H](C)C[NH2+]1 ZINC000083346778 171100570 /nfs/dbraw/zinc/10/05/70/171100570.db2.gz AQJJBTGXCGGOCK-RKDXNWHRSA-N 1 0 211.334 1.720 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1Cc1ccc(O)cc1 ZINC000083350719 171101634 /nfs/dbraw/zinc/10/16/34/171101634.db2.gz WPUJGFGMEAOFLY-GFCCVEGCSA-N 1 0 220.316 1.576 10 0 BDAERO CC[C@@H]1[C@H]([NH3+])CCN1Cc1ccccc1 ZINC000082380078 171161776 /nfs/dbraw/zinc/16/17/76/171161776.db2.gz WOULTZNLOCKBHN-CHWSQXEVSA-N 1 0 204.317 1.998 10 0 BDAERO CC[C@@](O)(C[NH2+]C)c1ccc(OC)cc1 ZINC000032012286 171194460 /nfs/dbraw/zinc/19/44/60/171194460.db2.gz DTLNIYXGQHCIJN-GFCCVEGCSA-N 1 0 209.289 1.512 10 0 BDAERO CC[C@@]1(C(=O)N2CCS[C@@H](C)C2)CC[NH2+]C1 ZINC000119441016 171195944 /nfs/dbraw/zinc/19/59/44/171195944.db2.gz RAWMUQUTHGIFDL-CMPLNLGQSA-N 1 0 242.388 1.340 10 0 BDAERO CC[C@@]1(C)CCCN(C(=O)[C@H]2COCCN2)C1 ZINC000237067368 171199557 /nfs/dbraw/zinc/19/95/57/171199557.db2.gz BOYPZUNFAWRDOL-YPMHNXCESA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@H](C(=O)N[C@H](C)[C@@H]1CCCO1)[NH+](C)C ZINC000124784097 171232675 /nfs/dbraw/zinc/23/26/75/171232675.db2.gz GWOJKZZLDKZCQA-MXWKQRLJSA-N 1 0 228.336 1.010 10 0 BDAERO C1=CCC(C[N@@H+]2CC[C@@H]3OCCN[C@H]3C2)C1 ZINC000662283581 412074758 /nfs/dbraw/zinc/07/47/58/412074758.db2.gz AVNLJXJUGGLYMQ-STQMWFEESA-N 1 0 222.332 1.015 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000120448526 171280723 /nfs/dbraw/zinc/28/07/23/171280723.db2.gz HEZIIFSSIWQQOR-QWHCGFSZSA-N 1 0 228.380 1.685 10 0 BDAERO CC[C@H](C)N(CCOC)c1ccc(C[NH3+])cn1 ZINC000042561123 171315380 /nfs/dbraw/zinc/31/53/80/171315380.db2.gz JJKXDBHBTOOKHF-NSHDSACASA-N 1 0 237.347 1.792 10 0 BDAERO CC[C@H](C)N(Cc1ccccn1)C(=O)CC[NH3+] ZINC000033465559 171316657 /nfs/dbraw/zinc/31/66/57/171316657.db2.gz RTWNMRSMNOAVRY-NSHDSACASA-N 1 0 235.331 1.558 10 0 BDAERO CC[C@H](C)NC(=O)CNCCC[NH+](CC)CC ZINC000020052105 171326122 /nfs/dbraw/zinc/32/61/22/171326122.db2.gz HITGWWWGQJYDRM-LBPRGKRZSA-N 1 0 243.395 1.223 10 0 BDAERO CC[C@H](C)NC(=O)C[NH2+]CCc1ccco1 ZINC000037979056 171326259 /nfs/dbraw/zinc/32/62/59/171326259.db2.gz GSMUQBOZBNSYFD-JTQLQIEISA-N 1 0 224.304 1.326 10 0 BDAERO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C[NH3+] ZINC000019505282 171338591 /nfs/dbraw/zinc/33/85/91/171338591.db2.gz PCSQGXABYJFPGE-VIFPVBQESA-N 1 0 249.314 1.112 10 0 BDAERO CC[C@H](C)[NH2+]Cc1nnc2cnccn21 ZINC000037475060 171344307 /nfs/dbraw/zinc/34/43/07/171344307.db2.gz VSMVMLYWXMTPBM-QMMMGPOBSA-N 1 0 205.265 1.012 10 0 BDAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000037979938 171347989 /nfs/dbraw/zinc/34/79/89/171347989.db2.gz CVSPUKHOUFHYME-KWQFWETISA-N 1 0 224.279 1.740 10 0 BDAERO CC[C@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000102668022 171348428 /nfs/dbraw/zinc/34/84/28/171348428.db2.gz JCOSWFJIQADHCY-JQWIXIFHSA-N 1 0 246.310 1.707 10 0 BDAERO CC[C@H](C)N[C@]1(C(=O)OC)C[NH+]2CCC1CC2 ZINC000038067255 171349497 /nfs/dbraw/zinc/34/94/97/171349497.db2.gz ZMRCPJNYGNILIB-GXFFZTMASA-N 1 0 240.347 1.012 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000042554632 171366973 /nfs/dbraw/zinc/36/69/73/171366973.db2.gz PNBACQHMMGXCKN-IQJOONFLSA-N 1 0 238.331 1.301 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CN1CCOCC1(C)C ZINC000042463170 171372249 /nfs/dbraw/zinc/37/22/49/171372249.db2.gz DQYWFBZFZVXMTQ-QWRGUYRKSA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CN(CCOC)[C@@H](C)COC ZINC000042610835 171372740 /nfs/dbraw/zinc/37/27/40/171372740.db2.gz SNHWWDLVVWATNT-AVGNSLFASA-N 1 0 246.395 1.343 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc(O)c1 ZINC000083363570 171396003 /nfs/dbraw/zinc/39/60/03/171396003.db2.gz INZUBFAEJSWAAX-CABZTGNLSA-N 1 0 236.315 1.382 10 0 BDAERO CC[C@H](C)[C@](C)([NH2+]C1CCCC1)C(N)=O ZINC000037968628 171407257 /nfs/dbraw/zinc/40/72/57/171407257.db2.gz WQNQJSVVXBETMF-CABZTGNLSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000662351012 412119898 /nfs/dbraw/zinc/11/98/98/412119898.db2.gz KLPDVGNUPXNPSZ-NEPJUHHUSA-N 1 0 248.326 1.624 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC1=CCCOC1 ZINC000662661630 412261443 /nfs/dbraw/zinc/26/14/43/412261443.db2.gz GBNMDGFEGVZWIX-ZYHUDNBSSA-N 1 0 240.347 1.165 10 0 BDAERO C[C@]1(C(=O)NCCc2ccoc2)CCCC[NH2+]1 ZINC000662662924 412261883 /nfs/dbraw/zinc/26/18/83/412261883.db2.gz KTOGTOXANGVHIK-CYBMUJFWSA-N 1 0 236.315 1.471 10 0 BDAERO C[C@H]1CC[C@H](Nc2ccnc(N(C)C)n2)C[NH2+]1 ZINC000630533812 412262791 /nfs/dbraw/zinc/26/27/91/412262791.db2.gz RRDLMAVVMCSHLW-UWVGGRQHSA-N 1 0 235.335 1.095 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H](CCF)C1 ZINC000662687059 412270485 /nfs/dbraw/zinc/27/04/85/412270485.db2.gz DHTXTDFDJCNNGS-NWDGAFQWSA-N 1 0 244.354 1.958 10 0 BDAERO CC[C@H](c1cccs1)n1nnnc1C[NH3+] ZINC000054747118 171599843 /nfs/dbraw/zinc/59/98/43/171599843.db2.gz OWKZPXIKOVTVST-SSDOTTSWSA-N 1 0 223.305 1.193 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cccc(OC)c1C ZINC000662559778 412219292 /nfs/dbraw/zinc/21/92/92/412219292.db2.gz FDHBVIUGOKAIFM-SECBINFHSA-N 1 0 236.315 1.341 10 0 BDAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662733851 412288275 /nfs/dbraw/zinc/28/82/75/412288275.db2.gz VZIATPIBFKGUBI-WRWGMCAJSA-N 1 0 224.348 1.522 10 0 BDAERO CC[C@H]1CN(Cc2ccccn2)[C@H](C)C[NH2+]1 ZINC000082936444 171662472 /nfs/dbraw/zinc/66/24/72/171662472.db2.gz WXXBMSYXGSMTTE-NEPJUHHUSA-N 1 0 219.332 1.654 10 0 BDAERO CCN(Cc1ccc(C)cc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000662862323 412328506 /nfs/dbraw/zinc/32/85/06/412328506.db2.gz KNJLIZJQUXHXGF-AWEZNQCLSA-N 1 0 246.354 1.953 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nn(C)cc1C ZINC000662970618 412360723 /nfs/dbraw/zinc/36/07/23/412360723.db2.gz NHBNDNOOYYQSCJ-VXNVDRBHSA-N 1 0 224.308 1.040 10 0 BDAERO CCCCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662978236 412361925 /nfs/dbraw/zinc/36/19/25/412361925.db2.gz ZPZUYWBUWKZYSN-ZETCQYMHSA-N 1 0 226.242 1.525 10 0 BDAERO CN(C(=O)C1CCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662977570 412362213 /nfs/dbraw/zinc/36/22/13/412362213.db2.gz VXEVHGQJQHMTKN-ZETCQYMHSA-N 1 0 224.226 1.135 10 0 BDAERO CC[C@H](C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662979629 412362545 /nfs/dbraw/zinc/36/25/45/412362545.db2.gz WRQCUYDODBNXJK-BQBZGAKWSA-N 1 0 226.242 1.381 10 0 BDAERO C[NH2+]CCOCCNc1nc2ccccc2o1 ZINC000630530413 412292764 /nfs/dbraw/zinc/29/27/64/412292764.db2.gz ISLASNKKAYIJBB-UHFFFAOYSA-N 1 0 235.287 1.476 10 0 BDAERO CCCC(CCC)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000132969188 412378720 /nfs/dbraw/zinc/37/87/20/412378720.db2.gz OSMRMPJWBZOMDF-NSHDSACASA-N 1 0 226.364 1.929 10 0 BDAERO CCc1cc(OCC2CC[NH2+]CC2)ncn1 ZINC000051869953 171772820 /nfs/dbraw/zinc/77/28/20/171772820.db2.gz CODTZJXQFDSERD-UHFFFAOYSA-N 1 0 221.304 1.417 10 0 BDAERO CCCc1nccnc1N1CCC(C[NH2+]C)CC1 ZINC000663270489 412403530 /nfs/dbraw/zinc/40/35/30/412403530.db2.gz NBXCMOAUCYLGGM-UHFFFAOYSA-N 1 0 248.374 1.865 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]([NH3+])[C@H]1C ZINC000663271672 412404252 /nfs/dbraw/zinc/40/42/52/412404252.db2.gz FJXGOPFOTKJBBN-NXEZZACHSA-N 1 0 220.320 1.355 10 0 BDAERO CCCc1nccnc1N1CC[C@](C)(C[NH3+])C1 ZINC000663272905 412404584 /nfs/dbraw/zinc/40/45/84/412404584.db2.gz SACZYNLESLKRNV-CYBMUJFWSA-N 1 0 234.347 1.604 10 0 BDAERO Fc1cccnc1NCC12CC(C1)C[NH2+]2 ZINC000663275472 412405046 /nfs/dbraw/zinc/40/50/46/412405046.db2.gz XVLLJDYNRYIRTQ-UHFFFAOYSA-N 1 0 207.252 1.385 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ccc(C(F)(F)F)nn1 ZINC000663276729 412406428 /nfs/dbraw/zinc/40/64/28/412406428.db2.gz ACHPDVNMHITKMM-ZCFIWIBFSA-N 1 0 234.225 1.515 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nccc2occc21 ZINC000663280382 412408209 /nfs/dbraw/zinc/40/82/09/412408209.db2.gz ZLPVLFLBHARVHE-MRVPVSSYSA-N 1 0 205.261 1.848 10 0 BDAERO CCc1cccc(OCC[C@H]([NH3+])CO)c1 ZINC000071511917 171865687 /nfs/dbraw/zinc/86/56/87/171865687.db2.gz YDOYDLLDBHZZCZ-NSHDSACASA-N 1 0 209.289 1.338 10 0 BDAERO CCc1ccccc1OCC[C@H]([NH3+])CO ZINC000071511913 171891301 /nfs/dbraw/zinc/89/13/01/171891301.db2.gz QWQLANSYYZXKOM-NSHDSACASA-N 1 0 209.289 1.338 10 0 BDAERO CCc1nc(CC[NH2+][C@H](C)[C@@H](C)OC)no1 ZINC000129291481 171970920 /nfs/dbraw/zinc/97/09/20/171970920.db2.gz BOEUFLNNFQFIHB-RKDXNWHRSA-N 1 0 227.308 1.188 10 0 BDAERO CCc1nc(CC[NH2+][C@H](CC)C2CC2)no1 ZINC000129288811 171971168 /nfs/dbraw/zinc/97/11/68/171971168.db2.gz AAAXHLZZCUNSKH-SNVBAGLBSA-N 1 0 223.320 1.953 10 0 BDAERO CCc1[nH+]c2cc(N)ccc2n1[C@H](C)C(=O)OC ZINC000052854612 172010472 /nfs/dbraw/zinc/01/04/72/172010472.db2.gz AKDYAINRRNCREH-MRVPVSSYSA-N 1 0 247.298 1.915 10 0 BDAERO CCc1nnc(COc2ccccc2CC[NH3+])o1 ZINC000037720521 172055412 /nfs/dbraw/zinc/05/54/12/172055412.db2.gz AJJULWJVNAKIFZ-UHFFFAOYSA-N 1 0 247.298 1.712 10 0 BDAERO CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)CC)CC2 ZINC000369853452 172069264 /nfs/dbraw/zinc/06/92/64/172069264.db2.gz RAYSHUWOGHKFDC-UWVGGRQHSA-N 1 0 222.336 1.543 10 0 BDAERO CCc1noc(COc2cccc(CC[NH3+])c2)n1 ZINC000037721279 172084633 /nfs/dbraw/zinc/08/46/33/172084633.db2.gz JYPSVWSYRITWAV-UHFFFAOYSA-N 1 0 247.298 1.712 10 0 BDAERO CCc1noc([C@]2([NH3+])CCC[C@@H](C)C2)n1 ZINC000041035626 172092239 /nfs/dbraw/zinc/09/22/39/172092239.db2.gz NDUBZZUOXJPAIU-KCJUWKMLSA-N 1 0 209.293 1.996 10 0 BDAERO CCn1c(C)[nH+]c(C2CCOCC2)c1N ZINC000104915892 172137702 /nfs/dbraw/zinc/13/77/02/172137702.db2.gz CGBXCEXSBBRPEL-UHFFFAOYSA-N 1 0 209.293 1.688 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@@H]1CSC[C@H]1C ZINC000309944995 172139653 /nfs/dbraw/zinc/13/96/53/172139653.db2.gz CZGGSWGTLQFEEA-PSASIEDQSA-N 1 0 240.376 1.448 10 0 BDAERO CCn1c(CCC[NH3+])nc2cc(OC)ccc21 ZINC000074297522 172143279 /nfs/dbraw/zinc/14/32/79/172143279.db2.gz JFUQLLCFPYIFAX-UHFFFAOYSA-N 1 0 233.315 1.956 10 0 BDAERO CCn1cc(C[C@H](C[C@H]2CCCO2)[NH2+]C)cn1 ZINC000050542720 172176943 /nfs/dbraw/zinc/17/69/43/172176943.db2.gz XDXGLONXBZTOBP-CHWSQXEVSA-N 1 0 237.347 1.603 10 0 BDAERO CCn1cc(C[C@@H](C[C@@H]2CCCO2)[NH2+]C)cn1 ZINC000050542717 172177190 /nfs/dbraw/zinc/17/71/90/172177190.db2.gz XDXGLONXBZTOBP-STQMWFEESA-N 1 0 237.347 1.603 10 0 BDAERO CCn1cc(C[C@H](C[C@@H]2CCCO2)[NH2+]C)cn1 ZINC000050542718 172177354 /nfs/dbraw/zinc/17/73/54/172177354.db2.gz XDXGLONXBZTOBP-OLZOCXBDSA-N 1 0 237.347 1.603 10 0 BDAERO CCn1cc(NC(=O)c2c[nH+]ccc2N)cn1 ZINC000127184898 172183562 /nfs/dbraw/zinc/18/35/62/172183562.db2.gz IRSDGLNPAATSNO-UHFFFAOYSA-N 1 0 231.259 1.133 10 0 BDAERO CCn1cccc1C[NH2+]C(C)(C)[C@H](C)O ZINC000128160908 172207326 /nfs/dbraw/zinc/20/73/26/172207326.db2.gz BOYMEUVYRAXVCS-JTQLQIEISA-N 1 0 210.321 1.757 10 0 BDAERO CCn1cccc1C[NH2+][C@]1(C)CCOC1 ZINC000229448500 172210019 /nfs/dbraw/zinc/21/00/19/172210019.db2.gz AOCMDYAYCDHXSF-GFCCVEGCSA-N 1 0 208.305 1.777 10 0 BDAERO CCn1ccnc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113267107 172222177 /nfs/dbraw/zinc/22/21/77/172222177.db2.gz MYKYBCDUAIIRGF-STQMWFEESA-N 1 0 248.374 1.572 10 0 BDAERO CCn1ccnc1N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000053704636 172226018 /nfs/dbraw/zinc/22/60/18/172226018.db2.gz CBEHAMZRHJYSCY-WDEREUQCSA-N 1 0 222.336 1.467 10 0 BDAERO CCn1ccnc1OC[C@H]1CCC[NH2+]C1 ZINC000051883202 172228603 /nfs/dbraw/zinc/22/86/03/172228603.db2.gz GOKQHZRQIDJNLT-JTQLQIEISA-N 1 0 209.293 1.281 10 0 BDAERO CCn1cnnc1-c1cccc(C[NH3+])c1 ZINC000054497783 172233515 /nfs/dbraw/zinc/23/35/15/172233515.db2.gz LKEBQJDGNYZQSV-UHFFFAOYSA-N 1 0 202.261 1.424 10 0 BDAERO CCn1cnnc1[C@H]([NH3+])C1CCCCC1 ZINC000054497785 172239938 /nfs/dbraw/zinc/23/99/38/172239938.db2.gz URKWHPGBVPPOMZ-SNVBAGLBSA-N 1 0 208.309 1.878 10 0 BDAERO CCn1ncc(CN2CCC[C@H]2C[NH3+])c1C ZINC000020315843 172254941 /nfs/dbraw/zinc/25/49/41/172254941.db2.gz BNRXXYSKZABPDZ-LBPRGKRZSA-N 1 0 222.336 1.135 10 0 BDAERO CCn1ncnc1[C@H]([NH3+])Cc1ccccc1 ZINC000054498844 172285014 /nfs/dbraw/zinc/28/50/14/172285014.db2.gz HXOXTJAJTMWODC-LLVKDONJSA-N 1 0 216.288 1.541 10 0 BDAERO CN(C(=O)C(C)(C)[NH3+])c1ccccc1F ZINC000050008832 172295309 /nfs/dbraw/zinc/29/53/09/172295309.db2.gz IMQQKECZGDKTOS-UHFFFAOYSA-N 1 0 210.252 1.526 10 0 BDAERO CN(C(=O)C1(C[NH3+])CC1)C1CCCCC1 ZINC000082641489 172297247 /nfs/dbraw/zinc/29/72/47/172297247.db2.gz ZFEVQWQWSJKWMM-UHFFFAOYSA-N 1 0 210.321 1.516 10 0 BDAERO CN(C(=O)C[NH2+]C1CCCCCC1)C1CC1 ZINC000049304771 172309366 /nfs/dbraw/zinc/30/93/66/172309366.db2.gz QUJGQLBAPNSHOY-UHFFFAOYSA-N 1 0 224.348 1.920 10 0 BDAERO CN(C(=O)C[NH2+]C1CCCC1)[C@@H]1CCSC1 ZINC000037482011 172309598 /nfs/dbraw/zinc/30/95/98/172309598.db2.gz YTUNKGWJNUKRFS-LLVKDONJSA-N 1 0 242.388 1.483 10 0 BDAERO CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])C1CCCC1 ZINC000055086986 172326066 /nfs/dbraw/zinc/32/60/66/172326066.db2.gz FIFKJBPILHRAOO-NEPJUHHUSA-N 1 0 224.348 1.905 10 0 BDAERO CN(C(=O)[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000062116729 172333598 /nfs/dbraw/zinc/33/35/98/172333598.db2.gz PHSDNAAXFUZKBX-VIFPVBQESA-N 1 0 222.263 1.398 10 0 BDAERO CN(C)C(=O)C[N@H+](C)[C@@H]1CNc2ccccc2C1 ZINC000037761125 172363640 /nfs/dbraw/zinc/36/36/40/172363640.db2.gz UPSQBQAWDJEKLT-LBPRGKRZSA-N 1 0 247.342 1.043 10 0 BDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000073106239 172385835 /nfs/dbraw/zinc/38/58/35/172385835.db2.gz LRUVOYLVIRKFNN-CQSZACIVSA-N 1 0 246.354 1.782 10 0 BDAERO C[NH+](C)[C@H]1CC[C@H](Nc2ncccn2)C1 ZINC000301917379 172541720 /nfs/dbraw/zinc/54/17/20/172541720.db2.gz HOOMWHIVENFPCJ-UWVGGRQHSA-N 1 0 206.293 1.371 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)C(=O)Cc1ccsc1 ZINC000095070909 172828663 /nfs/dbraw/zinc/82/86/63/172828663.db2.gz ZTWPGDWWESZNPT-LLVKDONJSA-N 1 0 238.356 1.501 10 0 BDAERO CN1CCCC[C@@H]1CNC1=[NH+]CCCS1 ZINC000044563783 173005708 /nfs/dbraw/zinc/00/57/08/173005708.db2.gz YVQUANXORWPNSU-SNVBAGLBSA-N 1 0 227.377 1.553 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CNC1N=NC(=S)S1 ZINC000044563331 173006152 /nfs/dbraw/zinc/00/61/52/173006152.db2.gz IDWOESMXBXCMSW-SSDOTTSWSA-N 1 0 244.389 1.723 10 0 BDAERO Cn1ccc(NC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000054242775 173009777 /nfs/dbraw/zinc/00/97/77/173009777.db2.gz GKGJNALKYYZJAD-JTQLQIEISA-N 1 0 208.309 1.316 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CNc1cccnc1 ZINC000039186011 173010392 /nfs/dbraw/zinc/01/03/92/173010392.db2.gz XKSSKPXDZUCUGF-LBPRGKRZSA-N 1 0 205.305 1.978 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CNc1ccncn1 ZINC000044563212 173010429 /nfs/dbraw/zinc/01/04/29/173010429.db2.gz ZLGBLWFPNOOMAA-JTQLQIEISA-N 1 0 206.293 1.373 10 0 BDAERO C[N@@H+]1CCC[C@H](NC2N=NC(=S)S2)C1 ZINC000040715884 173046183 /nfs/dbraw/zinc/04/61/83/173046183.db2.gz DMXKESNNYVJVHY-LURJTMIESA-N 1 0 230.362 1.333 10 0 BDAERO C[N@@H+]1CCC[C@H](NC2=[NH+]C(C)(C)CS2)C1 ZINC000040715971 173046683 /nfs/dbraw/zinc/04/66/83/173046683.db2.gz RRTINBBYSNQSEJ-VIFPVBQESA-N 1 0 227.377 1.552 10 0 BDAERO CN1CCN(Cc2ccccc2C[NH3+])C1=O ZINC000052885469 173091440 /nfs/dbraw/zinc/09/14/40/173091440.db2.gz NGKBXVAMIBPDRW-UHFFFAOYSA-N 1 0 219.288 1.013 10 0 BDAERO CN1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000071518082 173097293 /nfs/dbraw/zinc/09/72/93/173097293.db2.gz OIBZAXFXBMIBKQ-NSHDSACASA-N 1 0 210.708 1.916 10 0 BDAERO CCc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000228336302 487625871 /nfs/dbraw/zinc/62/58/71/487625871.db2.gz AVDOPRVWTNCUSE-VIFPVBQESA-N 1 0 236.319 1.300 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc(F)c(C(N)=O)c2)C1 ZINC000061985803 173125026 /nfs/dbraw/zinc/12/50/26/173125026.db2.gz OAHXACVVDUMQLC-SECBINFHSA-N 1 0 237.278 1.041 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cccc(CO)c2)C1 ZINC000061985951 173126104 /nfs/dbraw/zinc/12/61/04/173126104.db2.gz IXWMBYRGBSYPSM-GFCCVEGCSA-N 1 0 206.289 1.295 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc(C(N)=S)cc2)C1 ZINC000042549336 173126532 /nfs/dbraw/zinc/12/65/32/173126532.db2.gz YRQYWPNVEOAOIQ-LLVKDONJSA-N 1 0 235.356 1.437 10 0 BDAERO C[N@@H+]1CC[C@@](CO)(Nc2ccccc2)C1 ZINC000061992096 173135886 /nfs/dbraw/zinc/13/58/86/173135886.db2.gz CFDUAAIIABGMBZ-GFCCVEGCSA-N 1 0 206.289 1.165 10 0 BDAERO C[N@@H+]1CC[C@@]2(CCCN2c2ccns2)C1 ZINC000038917843 173138974 /nfs/dbraw/zinc/13/89/74/173138974.db2.gz LAGAOLCCTSMPJM-NSHDSACASA-N 1 0 223.345 1.818 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2c(N)ccc(F)c2F)C1 ZINC000053165644 173146373 /nfs/dbraw/zinc/14/63/73/173146373.db2.gz JRGNKCYQTNHDMS-MRVPVSSYSA-N 1 0 241.285 1.911 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2cc(F)ccc2N)C1 ZINC000052120820 173147811 /nfs/dbraw/zinc/14/78/11/173147811.db2.gz NBPJNMICWIOYTN-SECBINFHSA-N 1 0 223.295 1.772 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc3oc(=O)[nH]c3c2)C1 ZINC000061988495 173155786 /nfs/dbraw/zinc/15/57/86/173155786.db2.gz WBRKKMFWASUACH-VIFPVBQESA-N 1 0 233.271 1.237 10 0 BDAERO C[N@@H+]1CCc2[nH]nc(-c3ccc(O)cc3)c2C1 ZINC000082807623 173167520 /nfs/dbraw/zinc/16/75/20/173167520.db2.gz ZPRJUKWEYSHPLF-UHFFFAOYSA-N 1 0 229.283 1.770 10 0 BDAERO CN1Cc2cc(Cl)ccc2[C@H](C[NH3+])C1 ZINC000057496432 173199915 /nfs/dbraw/zinc/19/99/15/173199915.db2.gz CJPDTBOSQCVPNH-SECBINFHSA-N 1 0 210.708 1.828 10 0 BDAERO CN1c2ccccc2C[C@H]1CC1=[NH+]CCN1 ZINC000029339887 173208441 /nfs/dbraw/zinc/20/84/41/173208441.db2.gz PANYCWDOAYXJOP-NSHDSACASA-N 1 0 215.300 1.439 10 0 BDAERO CN1c2ccccc2C[C@H]1C1=[NH+]CCN1 ZINC000029333626 173208509 /nfs/dbraw/zinc/20/85/09/173208509.db2.gz IDOHPYFJXXCMEX-NSHDSACASA-N 1 0 201.273 1.049 10 0 BDAERO CNC(=[NH2+])c1ccc(-c2c[nH]cn2)cc1 ZINC000027216834 173211114 /nfs/dbraw/zinc/21/11/14/173211114.db2.gz GDJQGXSLSSYTOV-UHFFFAOYSA-N 1 0 200.245 1.621 10 0 BDAERO CNC(=[NH2+])N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000052020007 173211381 /nfs/dbraw/zinc/21/13/81/173211381.db2.gz MKWZXNBKHJHIRM-QMMMGPOBSA-N 1 0 234.303 1.450 10 0 BDAERO CNC(=O)CC[C@H](C[NH3+])c1cccc(OC)c1 ZINC000076619167 173263218 /nfs/dbraw/zinc/26/32/18/173263218.db2.gz GOWASOIBOCJMGZ-LLVKDONJSA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)CN(C)[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043034703 173270405 /nfs/dbraw/zinc/27/04/05/173270405.db2.gz XQNPWMYATUEBEW-SMDDNHRTSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037224726 173277777 /nfs/dbraw/zinc/27/77/77/173277777.db2.gz RUCZZBALHSHXFL-ZETCQYMHSA-N 1 0 244.697 1.876 10 0 BDAERO CNC(=O)COc1ccc(C[NH2+]C(C)C)cc1 ZINC000034658051 173279291 /nfs/dbraw/zinc/27/92/91/173279291.db2.gz GXMPYKLQTASETI-UHFFFAOYSA-N 1 0 236.315 1.309 10 0 BDAERO CNC(=O)Oc1cccc2ccc[n+](C)c21 ZINC000005996183 173293280 /nfs/dbraw/zinc/29/32/80/173293280.db2.gz UUXLREVNDVRGLL-UHFFFAOYSA-O 1 0 217.248 1.383 10 0 BDAERO CNC(=O)[C@@H](C)[N@H+](Cc1cccc(N)c1)C(C)C ZINC000035064900 173294505 /nfs/dbraw/zinc/29/45/05/173294505.db2.gz VRCBTIILERXHDZ-LLVKDONJSA-N 1 0 249.358 1.614 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000042560535 173295182 /nfs/dbraw/zinc/29/51/82/173295182.db2.gz WRRAGRPENPERGM-DTWKUNHWSA-N 1 0 222.288 1.177 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000035180598 173295857 /nfs/dbraw/zinc/29/58/57/173295857.db2.gz RXLUCOXSJNNVDO-SKDRFNHKSA-N 1 0 218.300 1.398 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419406 173296001 /nfs/dbraw/zinc/29/60/01/173296001.db2.gz XQAFNKXWTQBCEA-RKDXNWHRSA-N 1 0 222.288 1.220 10 0 BDAERO CNC(=O)c1cc(N[C@H]2CCCC[C@@H]2[NH3+])ccn1 ZINC000038050755 173309730 /nfs/dbraw/zinc/30/97/30/173309730.db2.gz FXVVOPZJIBXLLU-QWRGUYRKSA-N 1 0 248.330 1.123 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)C(C)C ZINC000061300490 173317387 /nfs/dbraw/zinc/31/73/87/173317387.db2.gz LDJPEFREQUXCSU-VIFPVBQESA-N 1 0 200.326 1.487 10 0 BDAERO C[NH2+]C(C)(C)CN(C)C1CCOCC1 ZINC000061319611 173319075 /nfs/dbraw/zinc/31/90/75/173319075.db2.gz HLANIFREHIXWJL-UHFFFAOYSA-N 1 0 200.326 1.095 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1nc2c(s1)CCC2 ZINC000061318904 173319735 /nfs/dbraw/zinc/31/97/35/173319735.db2.gz AHJNACWEHYYOIP-UHFFFAOYSA-N 1 0 239.344 1.568 10 0 BDAERO C[NH2+]C(C)(C)c1nncn1C1CCCC1 ZINC000061152127 173321018 /nfs/dbraw/zinc/32/10/18/173321018.db2.gz MPHYKEYFMYXPJL-UHFFFAOYSA-N 1 0 208.309 1.848 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000035164968 173326889 /nfs/dbraw/zinc/32/68/89/173326889.db2.gz VFLLVZUXLLUQBQ-MNOVXSKESA-N 1 0 210.321 1.387 10 0 BDAERO C[NH2+]CC(=O)N[C@H](C)c1cc(C)ccc1C ZINC000035039440 173332888 /nfs/dbraw/zinc/33/28/88/173332888.db2.gz CVRRRTFBXAJCPC-LLVKDONJSA-N 1 0 220.316 1.700 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061119122 173333849 /nfs/dbraw/zinc/33/38/49/173333849.db2.gz QIQOFEXZRJXCJH-UHFFFAOYSA-N 1 0 218.178 1.262 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000035082520 173333991 /nfs/dbraw/zinc/33/39/91/173333991.db2.gz YWTPBIGGCFWTOP-UHFFFAOYSA-N 1 0 216.643 1.637 10 0 BDAERO C[NH2+]CC(=O)Nc1cccc(-n2cccn2)c1 ZINC000037004091 173334158 /nfs/dbraw/zinc/33/41/58/173334158.db2.gz AKFKZASXURHEHR-UHFFFAOYSA-N 1 0 230.271 1.030 10 0 BDAERO C[NH2+]CC(=O)Nc1cccc2cnccc21 ZINC000037015330 173334702 /nfs/dbraw/zinc/33/47/02/173334702.db2.gz NRBWIHSFKQBSMZ-UHFFFAOYSA-N 1 0 215.256 1.393 10 0 BDAERO C[NH2+]CC1([C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000054654758 173337572 /nfs/dbraw/zinc/33/75/72/173337572.db2.gz SJMNAADVRQKCFD-NSHDSACASA-N 1 0 245.388 1.591 10 0 BDAERO C[NH2+]CC1(CN2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000051209563 173337638 /nfs/dbraw/zinc/33/76/38/173337638.db2.gz ZOFDUYIRHWUBFN-BETUJISGSA-N 1 0 240.391 1.875 10 0 BDAERO C[NH2+]CCC(=O)N(C)Cc1ccc(C)cc1C ZINC000044467165 173339571 /nfs/dbraw/zinc/33/95/71/173339571.db2.gz XPAJPEQCSXLGNL-UHFFFAOYSA-N 1 0 234.343 1.871 10 0 BDAERO C[NH2+]CCC(=O)Nc1c(F)cccc1F ZINC000043599978 173341301 /nfs/dbraw/zinc/34/13/01/173341301.db2.gz LRVKURPXKUCKQT-UHFFFAOYSA-N 1 0 214.215 1.513 10 0 BDAERO C[NH2+]CCC(=O)Nc1cnc2ccccc2c1 ZINC000043600416 173342239 /nfs/dbraw/zinc/34/22/39/173342239.db2.gz BOSHMLFDVWTWQF-UHFFFAOYSA-N 1 0 229.283 1.783 10 0 BDAERO C[NH2+]CCC(=O)Nc1nsc2ccccc21 ZINC000040917638 173342246 /nfs/dbraw/zinc/34/22/46/173342246.db2.gz DLCDCPXTSVQGTF-UHFFFAOYSA-N 1 0 235.312 1.844 10 0 BDAERO C[NH2+]CCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819590 173343705 /nfs/dbraw/zinc/34/37/05/173343705.db2.gz NLBHYTLIMIPFFP-GFCCVEGCSA-N 1 0 235.331 1.678 10 0 BDAERO C[NH2+]CCCC(=O)Nc1ccccc1[C@@H](C)O ZINC000049547447 173345323 /nfs/dbraw/zinc/34/53/23/173345323.db2.gz UKJJSHUBNOENCY-SNVBAGLBSA-N 1 0 236.315 1.678 10 0 BDAERO C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000121535204 173347754 /nfs/dbraw/zinc/34/77/54/173347754.db2.gz PHIIEIUTBAIXTF-ZIAGYGMSSA-N 1 0 246.354 1.824 10 0 BDAERO C[NH2+]CCCOCc1ccc2oc(=O)[nH]c2c1 ZINC000077372330 173349761 /nfs/dbraw/zinc/34/97/61/173349761.db2.gz CGLQGUOTELZBFK-UHFFFAOYSA-N 1 0 236.271 1.247 10 0 BDAERO C[NH2+]CCNC(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000237079625 173354985 /nfs/dbraw/zinc/35/49/85/173354985.db2.gz ICMVKROSRNEEBY-OLZOCXBDSA-N 1 0 232.327 1.434 10 0 BDAERO C[NH2+]CCS(=O)(=O)Cc1cccc(C)c1 ZINC000058827191 173357315 /nfs/dbraw/zinc/35/73/15/173357315.db2.gz FGPVUNDTRWRBFA-UHFFFAOYSA-N 1 0 227.329 1.129 10 0 BDAERO C[NH2+]CC[C@H](O)c1ccc(OC)c(OC)c1 ZINC000049820063 173359165 /nfs/dbraw/zinc/35/91/65/173359165.db2.gz DEJVHJUQDQEHGY-JTQLQIEISA-N 1 0 225.288 1.347 10 0 BDAERO C[NH2+]CCc1c(C)nc(C2CC2)nc1C ZINC000054838022 173359637 /nfs/dbraw/zinc/35/96/37/173359637.db2.gz KRRNRJDWXFDOPQ-UHFFFAOYSA-N 1 0 205.305 1.733 10 0 BDAERO C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000041623416 173360825 /nfs/dbraw/zinc/36/08/25/173360825.db2.gz GAXCVKWPLACNRE-UHFFFAOYSA-N 1 0 219.313 1.967 10 0 BDAERO C[NH2+]CCc1noc(CCc2ccc(C)cc2)n1 ZINC000052946191 173361729 /nfs/dbraw/zinc/36/17/29/173361729.db2.gz ZSOOIPPFAJBAQK-UHFFFAOYSA-N 1 0 245.326 1.925 10 0 BDAERO C[NH2+]CCc1noc(Cc2ccc(OC)cc2)n1 ZINC000051850642 173361743 /nfs/dbraw/zinc/36/17/43/173361743.db2.gz HAZQAYBVDKVZMS-UHFFFAOYSA-N 1 0 247.298 1.431 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc(C)nc2)n1 ZINC000051850803 173361865 /nfs/dbraw/zinc/36/18/65/173361865.db2.gz JRCVRMSFDNHAOA-UHFFFAOYSA-N 1 0 218.260 1.202 10 0 BDAERO C[NH2+]CCc1noc(-c2scnc2C)n1 ZINC000051850677 173361968 /nfs/dbraw/zinc/36/19/68/173361968.db2.gz RJLKRCOVPDCDDE-UHFFFAOYSA-N 1 0 224.289 1.263 10 0 BDAERO C[NH2+]CCc1noc(-c2cc(C)oc2C)n1 ZINC000051850737 173362132 /nfs/dbraw/zinc/36/21/32/173362132.db2.gz KMRIEQVIAJGMID-UHFFFAOYSA-N 1 0 221.260 1.708 10 0 BDAERO C[NH2+]C[C@@H](C)Cn1cnc2ccccc21 ZINC000052576540 173364054 /nfs/dbraw/zinc/36/40/54/173364054.db2.gz XCHBBTWXHVXMMM-SNVBAGLBSA-N 1 0 203.289 1.892 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1nc2ccccc2[nH]1 ZINC000051866995 173364450 /nfs/dbraw/zinc/36/44/50/173364450.db2.gz LHPOBKHWERPKIQ-MRVPVSSYSA-N 1 0 205.261 1.550 10 0 BDAERO C[NH2+]C[C@@H](C)n1nc(C)c(Cl)c1C ZINC000052573998 173365096 /nfs/dbraw/zinc/36/50/96/173365096.db2.gz FPWSAKCWSONAPZ-ZCFIWIBFSA-N 1 0 201.701 1.934 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1ccc(OC)c(C)c1 ZINC000019686923 173365514 /nfs/dbraw/zinc/36/55/14/173365514.db2.gz PHBZRZKBPLBERQ-SNVBAGLBSA-N 1 0 241.356 1.676 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000055027423 173365561 /nfs/dbraw/zinc/36/55/61/173365561.db2.gz VIODPVGZAJZCMC-SECBINFHSA-N 1 0 243.690 1.364 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1cccs1 ZINC000019686963 173365609 /nfs/dbraw/zinc/36/56/09/173365609.db2.gz MXPWYMOOMZNTIC-SSDOTTSWSA-N 1 0 203.332 1.421 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1c(C)cc(C)cc1C ZINC000041216476 173365623 /nfs/dbraw/zinc/36/56/23/173365623.db2.gz PXZJIRZRVDBDEW-LBPRGKRZSA-N 1 0 207.317 1.735 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(C)c(N)c(Cl)c1 ZINC000075624707 173365675 /nfs/dbraw/zinc/36/56/75/173365675.db2.gz SNLHUUKESPAKSO-SECBINFHSA-N 1 0 214.696 1.483 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(OC)c(Cl)c1 ZINC000041228675 173366488 /nfs/dbraw/zinc/36/64/88/173366488.db2.gz IBMGUMJRZFAPLV-SECBINFHSA-N 1 0 215.680 1.601 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1Cc1ncccn1 ZINC000054460289 173366718 /nfs/dbraw/zinc/36/67/18/173366718.db2.gz UYGLNNMICYAPCP-NSHDSACASA-N 1 0 220.320 1.051 10 0 BDAERO C[NH2+]C[C@@H](O[C@H]1CCOC1)c1ccc(F)cc1 ZINC000104115857 173367209 /nfs/dbraw/zinc/36/72/09/173367209.db2.gz UPZRLGYQUFQEFQ-QWHCGFSZSA-N 1 0 239.290 1.892 10 0 BDAERO C[NH2+]C[C@H](C(C)C)N1CCCSCC1 ZINC000052370952 173373123 /nfs/dbraw/zinc/37/31/23/173373123.db2.gz WFQSHYPTOSAVFD-LLVKDONJSA-N 1 0 216.394 1.669 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ccc(F)c(F)c1 ZINC000052700299 173375906 /nfs/dbraw/zinc/37/59/06/173375906.db2.gz XHAJUWBAEKWPAC-ZETCQYMHSA-N 1 0 201.216 1.952 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ncccc1Br ZINC000051867879 173376021 /nfs/dbraw/zinc/37/60/21/173376021.db2.gz YYZPOAWYPGBIOH-ZETCQYMHSA-N 1 0 245.120 1.831 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ccc(F)cc1F ZINC000052650599 173376028 /nfs/dbraw/zinc/37/60/28/173376028.db2.gz GJKNRAPQIXNMKQ-ZETCQYMHSA-N 1 0 201.216 1.952 10 0 BDAERO C[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000062721118 173376574 /nfs/dbraw/zinc/37/65/74/173376574.db2.gz JKZGZJXITKYTLA-QMMMGPOBSA-N 1 0 205.179 1.357 10 0 BDAERO C[NH2+]C[C@H](O)COc1cccc(C(C)(C)C)c1 ZINC000033466169 173376589 /nfs/dbraw/zinc/37/65/89/173376589.db2.gz LYYSDHLIXPWGBI-LBPRGKRZSA-N 1 0 237.343 1.943 10 0 BDAERO C[NH2+]C[C@H](O)CO[C@@H](C)c1ccccc1 ZINC000019864997 173376689 /nfs/dbraw/zinc/37/66/89/173376689.db2.gz WEAUMABBTUGJAO-JQWIXIFHSA-N 1 0 209.289 1.345 10 0 BDAERO C[NH2+]C[C@H](O)Cc1cc(C)ccc1OC ZINC000041218615 173376925 /nfs/dbraw/zinc/37/69/25/173376925.db2.gz VXOXHKFXLFDALO-LLVKDONJSA-N 1 0 209.289 1.126 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(OCC(C)C)cc1 ZINC000032014605 173377499 /nfs/dbraw/zinc/37/74/99/173377499.db2.gz YLFVZZDVTFLPHZ-ZDUSSCGKSA-N 1 0 223.316 1.974 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1C[C@@H]1CCCO1 ZINC000042407792 173378013 /nfs/dbraw/zinc/37/80/13/173378013.db2.gz KTKSQRFEJTYOQG-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc(F)cc1F ZINC000055032769 173383107 /nfs/dbraw/zinc/38/31/07/173383107.db2.gz RCECDMBNZPRFLP-JTQLQIEISA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc(OC(C)C)cc1 ZINC000032014593 173383217 /nfs/dbraw/zinc/38/32/17/173383217.db2.gz GTXKXNMTQHAVAB-ZDUSSCGKSA-N 1 0 223.316 1.901 10 0 BDAERO C[NH2+]C[C@](C)(O)Cc1ccccc1Cl ZINC000019684517 173383256 /nfs/dbraw/zinc/38/32/56/173383256.db2.gz MQWIMSJEFSSRRN-LLVKDONJSA-N 1 0 213.708 1.853 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc(OC)c(F)c1 ZINC000036158991 173383330 /nfs/dbraw/zinc/38/33/30/173383330.db2.gz SOYUBSXQVSKDLJ-NSHDSACASA-N 1 0 213.252 1.261 10 0 BDAERO C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCOC1 ZINC000054663826 173383742 /nfs/dbraw/zinc/38/37/42/173383742.db2.gz BVOWKFDVJMOPPZ-CYBMUJFWSA-N 1 0 223.291 1.994 10 0 BDAERO C[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000037374937 173384650 /nfs/dbraw/zinc/38/46/50/173384650.db2.gz SROLXXNHMOCLJH-UHFFFAOYSA-N 1 0 211.261 1.432 10 0 BDAERO C[NH2+]Cc1c(C)nn(C[C@H]2CCOC2)c1C ZINC000054717389 173384885 /nfs/dbraw/zinc/38/48/85/173384885.db2.gz WGLCFKWRPOECOA-LLVKDONJSA-N 1 0 223.320 1.256 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403684 173385724 /nfs/dbraw/zinc/38/57/24/173385724.db2.gz CHLZXISMOKVNSM-JTQLQIEISA-N 1 0 236.315 1.228 10 0 BDAERO C[NH2+]Cc1cc(-n2cc(Cl)cn2)ccn1 ZINC000051492674 173386297 /nfs/dbraw/zinc/38/62/97/173386297.db2.gz ARUJNQVVLFBPQB-UHFFFAOYSA-N 1 0 222.679 1.640 10 0 BDAERO C[NH2+]Cc1cccc(OCC(=O)N(C)C2CC2)c1 ZINC000049303899 173389392 /nfs/dbraw/zinc/38/93/92/173389392.db2.gz XHBWUQNPPVTUNH-UHFFFAOYSA-N 1 0 248.326 1.406 10 0 BDAERO C[NH2+]Cc1ccnc(Cc2csc(C)n2)n1 ZINC000055296806 173391185 /nfs/dbraw/zinc/39/11/85/173391185.db2.gz BFVPRSPLQWOKIZ-UHFFFAOYSA-N 1 0 234.328 1.552 10 0 BDAERO C[NH2+]Cc1ccoc1CN1CCO[C@@H](C)C1 ZINC000052382330 173391496 /nfs/dbraw/zinc/39/14/96/173391496.db2.gz TZMZWVVNJDAUMH-JTQLQIEISA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+]Cc1cnc(-n2ccc(C)n2)c(Cl)c1 ZINC000052885169 173392253 /nfs/dbraw/zinc/39/22/53/173392253.db2.gz AQCNFNAJHPCQNM-UHFFFAOYSA-N 1 0 236.706 1.949 10 0 BDAERO C[NH2+]Cc1cnc(C)nc1C(F)(F)F ZINC000083285166 173392644 /nfs/dbraw/zinc/39/26/44/173392644.db2.gz REXYFUIICNBQRQ-UHFFFAOYSA-N 1 0 205.183 1.523 10 0 BDAERO C[NH2+]Cc1csc(C[C@@H]2CCCO2)n1 ZINC000040999583 173392928 /nfs/dbraw/zinc/39/29/28/173392928.db2.gz PLNUZZFFWLZQFM-VIFPVBQESA-N 1 0 212.318 1.584 10 0 BDAERO C[NH2+]Cc1nc(-c2ccccn2)cs1 ZINC000053293970 173394957 /nfs/dbraw/zinc/39/49/57/173394957.db2.gz CHGDCQRWWZXSDB-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1nc(CN2CCO[C@H](C)C2)cs1 ZINC000052382160 173395227 /nfs/dbraw/zinc/39/52/27/173395227.db2.gz OIGMDKGLACRPJI-SECBINFHSA-N 1 0 241.360 1.083 10 0 BDAERO C[NH2+]Cc1nc(-n2cc(C)cn2)ccc1Cl ZINC000051492043 173395469 /nfs/dbraw/zinc/39/54/69/173395469.db2.gz FJRQBDPIFYXXJI-UHFFFAOYSA-N 1 0 236.706 1.949 10 0 BDAERO C[NH2+]Cc1nc2ccc(Cl)cc2n1CCO ZINC000040401138 173396040 /nfs/dbraw/zinc/39/60/40/173396040.db2.gz DNXGWMKOZGNNMY-UHFFFAOYSA-N 1 0 239.706 1.401 10 0 BDAERO C[NH2+]Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000034939113 173396090 /nfs/dbraw/zinc/39/60/90/173396090.db2.gz RNFVUZFFWNINOT-UHFFFAOYSA-N 1 0 233.271 1.444 10 0 BDAERO C[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000040417099 173396165 /nfs/dbraw/zinc/39/61/65/173396165.db2.gz OBGXJRCIIPGWEX-UHFFFAOYSA-N 1 0 209.680 1.946 10 0 BDAERO C[NH2+]Cc1nnc(-c2c(OC)cccc2OC)o1 ZINC000050615329 173397512 /nfs/dbraw/zinc/39/75/12/173397512.db2.gz ZKNKHPJSGRWEIA-UHFFFAOYSA-N 1 0 249.270 1.473 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(F)cc2F)o1 ZINC000050615304 173397546 /nfs/dbraw/zinc/39/75/46/173397546.db2.gz MOHQKGLBXAIRKH-UHFFFAOYSA-N 1 0 225.198 1.734 10 0 BDAERO C[NH2+]Cc1nnc2sc(C(C)C)nn12 ZINC000082533560 173398487 /nfs/dbraw/zinc/39/84/87/173398487.db2.gz OSUUYUHEQUXOSI-UHFFFAOYSA-N 1 0 211.294 1.029 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H](C)c1ccc(F)cc1 ZINC000054747375 173398540 /nfs/dbraw/zinc/39/85/40/173398540.db2.gz GNDHOYKYXOKRKL-QMMMGPOBSA-N 1 0 235.266 1.141 10 0 BDAERO C[NH2+]Cc1nncn1CCc1ccccc1OC ZINC000098128263 173398636 /nfs/dbraw/zinc/39/86/36/173398636.db2.gz LZMPIHYKNKKZKU-UHFFFAOYSA-N 1 0 246.314 1.249 10 0 BDAERO C[NH2+]Cc1nnnn1C1CCCCCCC1 ZINC000054745351 173399092 /nfs/dbraw/zinc/39/90/92/173399092.db2.gz IDGHYUNDSJVQSP-UHFFFAOYSA-N 1 0 223.324 1.678 10 0 BDAERO C[NH2+][C@@H](C)Cn1c2ccccc2oc1=O ZINC000043997033 173416872 /nfs/dbraw/zinc/41/68/72/173416872.db2.gz RRNQHKPWGQJSDO-QMMMGPOBSA-N 1 0 206.245 1.202 10 0 BDAERO C[NH2+][C@@H](CO)COc1c(C)cccc1C ZINC000071511930 173423583 /nfs/dbraw/zinc/42/35/83/173423583.db2.gz DEYFDZNFKGSAKX-NSHDSACASA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+][C@@H](CO)COc1ccc2c(c1)CCCC2 ZINC000071546410 173423648 /nfs/dbraw/zinc/42/36/48/173423648.db2.gz XXEFEYYUCWJQJK-ZDUSSCGKSA-N 1 0 235.327 1.525 10 0 BDAERO C[NH2+][C@@H]1CC[S@@](=O)c2ccc(OC)cc21 ZINC000040975890 173438245 /nfs/dbraw/zinc/43/82/45/173438245.db2.gz KHQMOFCIRTYZAH-BMIGLBTASA-N 1 0 225.313 1.467 10 0 BDAERO C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000035199187 173449191 /nfs/dbraw/zinc/44/91/91/173449191.db2.gz SRJWQOGTBCBKOV-MRVPVSSYSA-N 1 0 228.317 1.339 10 0 BDAERO C[NH2+][C@H](CO)COc1cccc(C(C)C)c1 ZINC000071531329 173452981 /nfs/dbraw/zinc/45/29/81/173452981.db2.gz WDFJZYLVLPKDRI-GFCCVEGCSA-N 1 0 223.316 1.769 10 0 BDAERO COC(=O)[C@@](C)([NH3+])CCc1ccc(OC)cc1 ZINC000037846585 173754753 /nfs/dbraw/zinc/75/47/53/173754753.db2.gz UXJJZXXSZUHGAF-ZDUSSCGKSA-N 1 0 237.299 1.518 10 0 BDAERO COC(=O)[C@H](C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000049566380 173770527 /nfs/dbraw/zinc/77/05/27/173770527.db2.gz SVCCEWBOHKQVQE-MNOVXSKESA-N 1 0 239.315 1.999 10 0 BDAERO COC(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000044135372 173888091 /nfs/dbraw/zinc/88/80/91/173888091.db2.gz JIBSJYGJWVQJIM-LLVKDONJSA-N 1 0 205.257 1.550 10 0 BDAERO COC(=O)c1cccc(NC[C@H]2CCC[NH2+]2)c1 ZINC000041262978 173896053 /nfs/dbraw/zinc/89/60/53/173896053.db2.gz HPRDCOVWTHQVKI-GFCCVEGCSA-N 1 0 234.299 1.637 10 0 BDAERO COC(C)(C)C[C@H](C)[NH2+]CC[C@@H](C)O ZINC000082993201 173949033 /nfs/dbraw/zinc/94/90/33/173949033.db2.gz OIVWFIVWYSVNCZ-VHSXEESVSA-N 1 0 203.326 1.551 10 0 BDAERO COC(OC)[C@@H](C[NH3+])Cc1ccccc1C ZINC000019729770 173965041 /nfs/dbraw/zinc/96/50/41/173965041.db2.gz PAXHYOJFKDANOA-GFCCVEGCSA-N 1 0 223.316 1.731 10 0 BDAERO COC(OC)[C@H](C[NH3+])Cc1cccs1 ZINC000019729761 173965994 /nfs/dbraw/zinc/96/59/94/173965994.db2.gz DPBSGFCUCOKBGJ-QMMMGPOBSA-N 1 0 215.318 1.484 10 0 BDAERO COC1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000037266521 174027861 /nfs/dbraw/zinc/02/78/61/174027861.db2.gz JPAPNNIXAGNPKC-NSHDSACASA-N 1 0 212.337 1.239 10 0 BDAERO COCCCN(C)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000062029361 174220655 /nfs/dbraw/zinc/22/06/55/174220655.db2.gz ZAMMLKNKEKZJGM-YPMHNXCESA-N 1 0 237.347 1.438 10 0 BDAERO COCCCN(C)[C@H](C[NH3+])c1ccccc1C ZINC000062029533 174220746 /nfs/dbraw/zinc/22/07/46/174220746.db2.gz UEMXJLIKPUNNBC-CQSZACIVSA-N 1 0 236.359 1.963 10 0 BDAERO COCCCN(CCOC)CC1([NH3+])CCCC1 ZINC000042425448 174224246 /nfs/dbraw/zinc/22/42/46/174224246.db2.gz YRJHZKKZAZHPGW-UHFFFAOYSA-N 1 0 244.379 1.243 10 0 BDAERO COCCC[N@H+](CCOC)[C@@](C)(C[NH3+])C1CC1 ZINC000042420774 174225493 /nfs/dbraw/zinc/22/54/93/174225493.db2.gz NNBXBBZQANTEDI-ZDUSSCGKSA-N 1 0 244.379 1.099 10 0 BDAERO COCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000083370843 174235457 /nfs/dbraw/zinc/23/54/57/174235457.db2.gz VFCCLSQSLVLBHK-UONOGXRCSA-N 1 0 242.407 1.977 10 0 BDAERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000037264764 174243348 /nfs/dbraw/zinc/24/33/48/174243348.db2.gz MCGSFEUCPFYUAP-VXGBXAGGSA-N 1 0 244.379 1.552 10 0 BDAERO COCCC[NH2+]C[C@H](C)N(C)Cc1ccoc1 ZINC000053497061 174246662 /nfs/dbraw/zinc/24/66/62/174246662.db2.gz IEQOYOSCYBBLFU-LBPRGKRZSA-N 1 0 240.347 1.726 10 0 BDAERO COCCCOCC[N@H+](C)[C@H]1CCCC[C@H]1O ZINC000300014370 174254696 /nfs/dbraw/zinc/25/46/96/174254696.db2.gz DUHCLKNGHGACEC-QWHCGFSZSA-N 1 0 245.363 1.275 10 0 BDAERO COCCCO[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000037747200 174257361 /nfs/dbraw/zinc/25/73/61/174257361.db2.gz FUALDMVQHFXESA-STQMWFEESA-N 1 0 237.299 1.501 10 0 BDAERO COCCN(C(=[NH2+])NCC(C)C)[C@H](C)C1CC1 ZINC000052039816 174267350 /nfs/dbraw/zinc/26/73/50/174267350.db2.gz LMMAXGVTCWSJCK-LLVKDONJSA-N 1 0 241.379 1.914 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000041287755 174281994 /nfs/dbraw/zinc/28/19/94/174281994.db2.gz KAFQTTHEIZOYLK-LBPRGKRZSA-N 1 0 242.750 1.918 10 0 BDAERO COCCN(C)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043036265 174282792 /nfs/dbraw/zinc/28/27/92/174282792.db2.gz JWHGSKWGCFKLHL-TZMCWYRMSA-N 1 0 236.359 1.962 10 0 BDAERO COCC[NH+](CCOC)Cc1ccccc1N ZINC000036197509 174296237 /nfs/dbraw/zinc/29/62/37/174296237.db2.gz PVSUOXUMXALDRD-UHFFFAOYSA-N 1 0 238.331 1.364 10 0 BDAERO COCCN(C[C@@H]1CCCC[NH2+]1)[C@@H](C)C1CC1 ZINC000042689333 174296978 /nfs/dbraw/zinc/29/69/78/174296978.db2.gz YFTAXHZQNSNFLJ-JSGCOSHPSA-N 1 0 240.391 1.875 10 0 BDAERO COCC[N@H+]([C@@H](C)COC)[C@@H]1CCCCC1=O ZINC000042608925 174302617 /nfs/dbraw/zinc/30/26/17/174302617.db2.gz DKXSWHJJQPTLPE-NWDGAFQWSA-N 1 0 243.347 1.481 10 0 BDAERO COCCN([C@@H](C[NH3+])C(C)(C)C)[C@@H](C)COC ZINC000042603097 174303037 /nfs/dbraw/zinc/30/30/37/174303037.db2.gz MOXOOLPOKATDTN-RYUDHWBXSA-N 1 0 246.395 1.343 10 0 BDAERO COCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188057700 174317718 /nfs/dbraw/zinc/31/77/18/174317718.db2.gz FDSRHXRUBUFYHN-RYUDHWBXSA-N 1 0 241.356 1.402 10 0 BDAERO COCC[NH2+]CCCOc1ccc(F)c(F)c1 ZINC000053586883 174332539 /nfs/dbraw/zinc/33/25/39/174332539.db2.gz NXBYCVKSJZUCEG-UHFFFAOYSA-N 1 0 245.269 1.970 10 0 BDAERO COCC[NH2+]CCN1CC[C@H]2CCCC[C@@H]2C1 ZINC000053342023 174332610 /nfs/dbraw/zinc/33/26/10/174332610.db2.gz YIWIOEZKSZIBNI-ZIAGYGMSSA-N 1 0 240.391 1.735 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000032015841 174334159 /nfs/dbraw/zinc/33/41/59/174334159.db2.gz MIWRBUNCZBFJQI-LLVKDONJSA-N 1 0 229.707 1.609 10 0 BDAERO COCC[NH2+]C[C@H](C)Oc1cccc(OC)c1 ZINC000053565519 174334542 /nfs/dbraw/zinc/33/45/42/174334542.db2.gz PGBDPAYZARZZLD-NSHDSACASA-N 1 0 239.315 1.699 10 0 BDAERO COCC[NH2+]Cc1ccccc1-n1ccnc1C ZINC000062738630 174335719 /nfs/dbraw/zinc/33/57/19/174335719.db2.gz KLCAKCSBAAYQPW-UHFFFAOYSA-N 1 0 245.326 1.917 10 0 BDAERO COCCOCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309984300 174358399 /nfs/dbraw/zinc/35/83/99/174358399.db2.gz XOYCCZOUBWTDJW-VXGBXAGGSA-N 1 0 233.327 1.767 10 0 BDAERO COCCOCCNc1ccc(N)c(C)c1 ZINC000033610833 174359955 /nfs/dbraw/zinc/35/99/55/174359955.db2.gz AOLGFPDCWWJUQJ-UHFFFAOYSA-N 1 0 224.304 1.652 10 0 BDAERO COCCO[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000019283139 174366195 /nfs/dbraw/zinc/36/61/95/174366195.db2.gz GHQGPITXFWOFKL-NEPJUHHUSA-N 1 0 223.272 1.110 10 0 BDAERO COCCOc1ccc(C(=O)[C@@H](C)[NH3+])cc1 ZINC000071524926 174368083 /nfs/dbraw/zinc/36/80/83/174368083.db2.gz RUTFZDFGMPYVKS-SECBINFHSA-N 1 0 223.272 1.242 10 0 BDAERO COCCOc1ccc([C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000034946299 174369303 /nfs/dbraw/zinc/36/93/03/174369303.db2.gz UEJNATKBSIYNBR-OCCSQVGLSA-N 1 0 233.311 1.573 10 0 BDAERO COCC[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336769663 174385954 /nfs/dbraw/zinc/38/59/54/174385954.db2.gz SEOAUQYCYYGWJN-ZJUUUORDSA-N 1 0 228.336 1.058 10 0 BDAERO COCC[C@@H]([NH3+])c1nc2c(cccc2F)[nH]1 ZINC000052785258 174392731 /nfs/dbraw/zinc/39/27/31/174392731.db2.gz DBOTVVGMCSQHCD-MRVPVSSYSA-N 1 0 223.251 1.738 10 0 BDAERO COC[C@@](C)([NH3+])c1ccc(OC)c(F)c1 ZINC000055262522 174521659 /nfs/dbraw/zinc/52/16/59/174521659.db2.gz GOKDXYNPLKIRTG-LLVKDONJSA-N 1 0 213.252 1.655 10 0 BDAERO COC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336775361 174563997 /nfs/dbraw/zinc/56/39/97/174563997.db2.gz YUTBWWWCYDIHNH-SDDRHHMPSA-N 1 0 233.327 1.502 10 0 BDAERO COCc1ccccc1NC(=[NH2+])NC1CC1 ZINC000052091799 174635205 /nfs/dbraw/zinc/63/52/05/174635205.db2.gz YKBBKBASWOLSBK-UHFFFAOYSA-N 1 0 219.288 1.932 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC1(C(C)C)CC1 ZINC000225812394 487628904 /nfs/dbraw/zinc/62/89/04/487628904.db2.gz GYSYDSMDHAQDIW-LLVKDONJSA-N 1 0 226.364 1.912 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000040635242 174770322 /nfs/dbraw/zinc/77/03/22/174770322.db2.gz UDJGWGSOIFIKPU-WOPDTQHZSA-N 1 0 242.363 1.256 10 0 BDAERO COc1c(F)cc(F)c(CC[NH3+])c1F ZINC000044398020 174931553 /nfs/dbraw/zinc/93/15/53/174931553.db2.gz ROECTQNXGXNVSU-UHFFFAOYSA-N 1 0 205.179 1.614 10 0 BDAERO COc1cc(Cl)c(C)cc1NC(N)=[NH2+] ZINC000052091854 174988776 /nfs/dbraw/zinc/98/87/76/174988776.db2.gz XSGIVGBASXWAIC-UHFFFAOYSA-N 1 0 213.668 1.962 10 0 BDAERO COc1cc(N[C@H]2C[NH+]3CCC2CC3)ccc1N ZINC000104235546 175004956 /nfs/dbraw/zinc/00/49/56/175004956.db2.gz OXZMAURCUXFOEG-ZDUSSCGKSA-N 1 0 247.342 1.784 10 0 BDAERO COc1cc(OC)c(OCC[NH3+])c(OC)c1 ZINC000107288051 175007834 /nfs/dbraw/zinc/00/78/34/175007834.db2.gz YWMHUPOJFTYTJP-UHFFFAOYSA-N 1 0 227.260 1.050 10 0 BDAERO COc1cc([C@H](O)[C@@H](C)[NH3+])cc(OC)c1OC ZINC000020216921 175016789 /nfs/dbraw/zinc/01/67/89/175016789.db2.gz AEZRTWHPXIHEJO-RDDDGLTNSA-N 1 0 241.287 1.093 10 0 BDAERO COc1cc([C@H]([NH3+])CO)cc(Cl)c1O ZINC000072198322 175016920 /nfs/dbraw/zinc/01/69/20/175016920.db2.gz YQCVIHXBYIRALR-SSDOTTSWSA-N 1 0 217.652 1.046 10 0 BDAERO COc1cc([C@H](N)C[NH3+])cc(Cl)c1O ZINC000072200923 175017239 /nfs/dbraw/zinc/01/72/39/175017239.db2.gz RXGLHJGMZNEAJL-SSDOTTSWSA-N 1 0 216.668 1.013 10 0 BDAERO COc1cc2c(c(OC)c1OC)[C@@H]([NH3+])[C@H](C)C2 ZINC000041278603 175020172 /nfs/dbraw/zinc/02/01/72/175020172.db2.gz RXRAQVBVOBLXGE-HQJQHLMTSA-N 1 0 237.299 1.904 10 0 BDAERO COc1cc2cc(N(C)C)[nH+]c(N)c2cc1OC ZINC000025986555 175026550 /nfs/dbraw/zinc/02/65/50/175026550.db2.gz MVIBRSRSKGBEJE-UHFFFAOYSA-N 1 0 247.298 1.900 10 0 BDAERO COc1cc2[nH+]c(N)n(C3CC3)c2cc1OC ZINC000075947248 175028125 /nfs/dbraw/zinc/02/81/25/175028125.db2.gz QHXFIVVYLNXSPX-UHFFFAOYSA-N 1 0 233.271 1.971 10 0 BDAERO COc1ccc(-c2cnn(CC[NH3+])c2)cc1 ZINC000049816350 175036844 /nfs/dbraw/zinc/03/68/44/175036844.db2.gz XQBJFXDKSRQRBK-UHFFFAOYSA-N 1 0 217.272 1.517 10 0 BDAERO COc1ccc(-c2ocnc2C[NH3+])cc1 ZINC000082639448 175043532 /nfs/dbraw/zinc/04/35/32/175043532.db2.gz DIFRKPSXQKGZML-UHFFFAOYSA-N 1 0 204.229 1.809 10 0 BDAERO CO[C@@H]1C[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1(C)C ZINC000225813023 487629839 /nfs/dbraw/zinc/62/98/39/487629839.db2.gz TXSAEYVHQQOYLS-OUAUKWLOSA-N 1 0 242.363 1.290 10 0 BDAERO COc1ccc(C(C)=O)c(C[NH+](C)C)c1 ZINC000021988789 175068020 /nfs/dbraw/zinc/06/80/20/175068020.db2.gz KLUFOYLIBGBURX-UHFFFAOYSA-N 1 0 207.273 1.959 10 0 BDAERO COc1ccc(C)cc1-c1nnc(CCC[NH3+])o1 ZINC000052944055 175072380 /nfs/dbraw/zinc/07/23/80/175072380.db2.gz QQGHPFMCYXCOCX-UHFFFAOYSA-N 1 0 247.298 1.945 10 0 BDAERO COc1ccc(C)cc1N1CC[C@@H](C[NH3+])C1 ZINC000011891680 175077181 /nfs/dbraw/zinc/07/71/81/175077181.db2.gz NNZSXKQLANKLAB-NSHDSACASA-N 1 0 220.316 1.789 10 0 BDAERO COc1ccc(C)cc1[C@@H](C)N1CC[NH2+]CC1 ZINC000020264279 175079537 /nfs/dbraw/zinc/07/95/37/175079537.db2.gz WQAKALDIFRVASM-GFCCVEGCSA-N 1 0 234.343 1.970 10 0 BDAERO COc1ccc(C)cc1[C@@H]([NH3+])Cc1ncc[nH]1 ZINC000052943502 175080440 /nfs/dbraw/zinc/08/04/40/175080440.db2.gz IUZOVXCYQWYUHO-NSHDSACASA-N 1 0 231.299 1.969 10 0 BDAERO COc1ccc(CC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000041278265 175087688 /nfs/dbraw/zinc/08/76/88/175087688.db2.gz WGZZXXSXYRQJJF-LLVKDONJSA-N 1 0 237.274 1.698 10 0 BDAERO COc1ccc(CCCC[NH3+])cc1NC(C)=O ZINC000098126147 175089655 /nfs/dbraw/zinc/08/96/55/175089655.db2.gz RGLUGSXSJYVGBO-UHFFFAOYSA-N 1 0 236.315 1.935 10 0 BDAERO COc1ccc(CC[NH3+])c(OC)c1SC ZINC000028765738 175090251 /nfs/dbraw/zinc/09/02/51/175090251.db2.gz LEELWLKZRKDMAS-UHFFFAOYSA-N 1 0 227.329 1.927 10 0 BDAERO COc1ccc(CC[NH2+]CCO)cc1C ZINC000057495903 175091416 /nfs/dbraw/zinc/09/14/16/175091416.db2.gz FIXDUDWTLUNHLM-UHFFFAOYSA-N 1 0 209.289 1.128 10 0 BDAERO COc1ccc(CC[NH2+]C[C@H](C)O)cc1Cl ZINC000098126734 175091568 /nfs/dbraw/zinc/09/15/68/175091568.db2.gz RBEHILZPCUCABR-VIFPVBQESA-N 1 0 243.734 1.862 10 0 BDAERO COc1ccc(CC[NH2+][C@H](C)CO)cc1OC ZINC000059196032 175092568 /nfs/dbraw/zinc/09/25/68/175092568.db2.gz VIDWIHBJUDYRDO-SNVBAGLBSA-N 1 0 239.315 1.217 10 0 BDAERO COc1ccc(CC[C@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000071570612 175093939 /nfs/dbraw/zinc/09/39/39/175093939.db2.gz YHICMLDLEZQIJT-ZFWWWQNUSA-N 1 0 249.354 1.988 10 0 BDAERO COc1ccc(CN2CC[NH2+]C[C@H](C)C2)cc1 ZINC000049660999 175100825 /nfs/dbraw/zinc/10/08/25/175100825.db2.gz PFBNDDPLVISIJS-LBPRGKRZSA-N 1 0 234.343 1.737 10 0 BDAERO COc1ccc(CNC2=[NH+][C@@H](C)CS2)cn1 ZINC000062057128 175105302 /nfs/dbraw/zinc/10/53/02/175105302.db2.gz KYPQSGMCQDBTJB-QMMMGPOBSA-N 1 0 237.328 1.671 10 0 BDAERO COc1ccc(C[C@@H]([NH3+])c2cnccn2)cc1F ZINC000053819326 175115666 /nfs/dbraw/zinc/11/56/66/175115666.db2.gz SFDNSBASVATWBT-LLVKDONJSA-N 1 0 247.273 1.867 10 0 BDAERO COc1ccc(Cl)cc1-n1cc(C[NH3+])nn1 ZINC000062247287 175119585 /nfs/dbraw/zinc/11/95/85/175119585.db2.gz WWYCTHUWTFLECB-UHFFFAOYSA-N 1 0 238.678 1.388 10 0 BDAERO COc1ccc(Cl)cc1CCN(C)CC[NH3+] ZINC000077391719 175120538 /nfs/dbraw/zinc/12/05/38/175120538.db2.gz ZFHONCUQCHLGLB-UHFFFAOYSA-N 1 0 242.750 1.782 10 0 BDAERO COc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]1[NH3+] ZINC000036234513 175120828 /nfs/dbraw/zinc/12/08/28/175120828.db2.gz BALRLJJFYIRTNA-DTWKUNHWSA-N 1 0 240.690 1.178 10 0 BDAERO COc1ccc(Cl)cc1C[C@@](C)(O)C[NH3+] ZINC000071534338 175121139 /nfs/dbraw/zinc/12/11/39/175121139.db2.gz UDMIYPWTALGXQF-LLVKDONJSA-N 1 0 229.707 1.601 10 0 BDAERO COc1ccc(Cn2cc(C[NH3+])cn2)cc1OC ZINC000063169630 175123627 /nfs/dbraw/zinc/12/36/27/175123627.db2.gz AJXYROMGRKCHHE-UHFFFAOYSA-N 1 0 247.298 1.407 10 0 BDAERO COc1ccc(NC(=O)[C@@H](C)CC[NH3+])cc1 ZINC000076611143 175144564 /nfs/dbraw/zinc/14/45/64/175144564.db2.gz QDDDRJMDJCVYQK-VIFPVBQESA-N 1 0 222.288 1.619 10 0 BDAERO COc1ccc(NCCC[NH3+])cc1OC ZINC000020232122 175150892 /nfs/dbraw/zinc/15/08/92/175150892.db2.gz PBRGNTRQJOCNCR-UHFFFAOYSA-N 1 0 210.277 1.465 10 0 BDAERO COc1ccc(N[C@@H]2CC[N@H+](C)C2)cc1 ZINC000061984694 175154339 /nfs/dbraw/zinc/15/43/39/175154339.db2.gz AOCKYVMLXFUMNT-LLVKDONJSA-N 1 0 206.289 1.811 10 0 BDAERO COc1ccc(OC(F)F)c(C[NH3+])c1 ZINC000037094216 175162580 /nfs/dbraw/zinc/16/25/80/175162580.db2.gz FPHGUWBMDJCQIB-UHFFFAOYSA-N 1 0 203.188 1.755 10 0 BDAERO COc1ccc(OC)c(C(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000011630753 175164324 /nfs/dbraw/zinc/16/43/24/175164324.db2.gz VTYHRNZFZPBEAQ-SNVBAGLBSA-N 1 0 249.310 1.886 10 0 BDAERO COc1ccc(OC)c([C@@H](O)[C@H]2CCC[NH2+]2)c1 ZINC000033466033 175168019 /nfs/dbraw/zinc/16/80/19/175168019.db2.gz HMRCSDPLBKIIFV-DGCLKSJQSA-N 1 0 237.299 1.489 10 0 BDAERO COc1ccc(SC[C@H](O)CC[NH3+])cc1C ZINC000019687082 175174949 /nfs/dbraw/zinc/17/49/49/175174949.db2.gz BIXLQUVXYVEJGL-SNVBAGLBSA-N 1 0 241.356 1.805 10 0 BDAERO COc1ccc([C@@H](N)C[NH3+])cc1Br ZINC000038052127 175179795 /nfs/dbraw/zinc/17/97/95/175179795.db2.gz NIJXGSNHKAWETB-QMMMGPOBSA-N 1 0 245.120 1.416 10 0 BDAERO COc1ccc([C@@H](O)CC[NH+](C)C)cc1F ZINC000049820799 175180796 /nfs/dbraw/zinc/18/07/96/175180796.db2.gz KTHPEJZBVPGTGU-NSHDSACASA-N 1 0 227.279 1.819 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)cc1C ZINC000032013942 175181295 /nfs/dbraw/zinc/18/12/95/175181295.db2.gz YXFFWVSLFHIZOS-WCQYABFASA-N 1 0 221.300 1.789 10 0 BDAERO COc1ccc([C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000040845495 175183683 /nfs/dbraw/zinc/18/36/83/175183683.db2.gz SUAFTJAVJHXARK-NEPJUHHUSA-N 1 0 207.273 1.874 10 0 in-vivo BDAERO COc1ccc([C@@H]2OC[C@@H](C[NH3+])O2)c(OC)c1 ZINC000049829561 175186062 /nfs/dbraw/zinc/18/60/62/175186062.db2.gz ASRLYLSQFUDLJL-BXKDBHETSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc([C@H]([NH3+])CO)c(Cl)c1OC ZINC000072198704 175191951 /nfs/dbraw/zinc/19/19/51/175191951.db2.gz SRIDMVFTVGEGGM-SSDOTTSWSA-N 1 0 231.679 1.349 10 0 BDAERO COc1ccc([C@H](O)C[NH2+]C2CC2)c(OC)c1 ZINC000033465990 175193771 /nfs/dbraw/zinc/19/37/71/175193771.db2.gz QFGGALDDODTYCE-GFCCVEGCSA-N 1 0 237.299 1.489 10 0 BDAERO COc1ccc([C@H]2C[NH2+][C@H](C)CO2)cc1F ZINC000036986505 175197260 /nfs/dbraw/zinc/19/72/60/175197260.db2.gz SNKNVRXDXPREBO-PRHODGIISA-N 1 0 225.263 1.884 10 0 BDAERO COc1ccc([C@]2(C)C[C@@]2(C[NH3+])CO)cc1 ZINC000070500911 175200124 /nfs/dbraw/zinc/20/01/24/175200124.db2.gz UQYWBAXDOVWLAT-QWHCGFSZSA-N 1 0 221.300 1.294 10 0 BDAERO COc1ccc([C@]2(C)C[C@H]2[NH3+])cc1OC ZINC000052126387 175200132 /nfs/dbraw/zinc/20/01/32/175200132.db2.gz ICKYTWQGPZGDGR-NEPJUHHUSA-N 1 0 207.273 1.693 10 0 BDAERO COc1ccc2c(c1)CC[C@@]1(C[NH+]=CN1)C2 ZINC000013743732 175209536 /nfs/dbraw/zinc/20/95/36/175209536.db2.gz YSSOIVRDCKNHKM-ZDUSSCGKSA-N 1 0 216.284 1.554 10 0 BDAERO COc1ccc2c(c1)CC[C@@]1(CC[NH2+]C1)O2 ZINC000036142048 175209922 /nfs/dbraw/zinc/20/99/22/175209922.db2.gz IJDVWIXDZLDTRX-ZDUSSCGKSA-N 1 0 219.284 1.752 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](O)CCC2 ZINC000039941529 175214119 /nfs/dbraw/zinc/21/41/19/175214119.db2.gz CDTLEIRLGGLWRL-NWDGAFQWSA-N 1 0 207.273 1.392 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])CC[S@@]2=O ZINC000040975684 175214860 /nfs/dbraw/zinc/21/48/60/175214860.db2.gz JVZIPCQTAZJMBH-LKFCYVNXSA-N 1 0 211.286 1.206 10 0 BDAERO COc1ccc2c(c1)nc([C@@H](C)C[NH3+])n2C ZINC000076015176 175220156 /nfs/dbraw/zinc/22/01/56/175220156.db2.gz MFFHCGRPQOHJSB-QMMMGPOBSA-N 1 0 219.288 1.644 10 0 BDAERO COc1ccc2c(c1OC)CCC[C@]2(O)C[NH3+] ZINC000036156187 175221727 /nfs/dbraw/zinc/22/17/27/175221727.db2.gz VQAPLOLMHKFGHJ-ZDUSSCGKSA-N 1 0 237.299 1.186 10 0 BDAERO COc1ccc2c(ccn2C[C@@H](C)[NH3+])c1 ZINC000013764779 175222805 /nfs/dbraw/zinc/22/28/05/175222805.db2.gz PGZNJNNSWDHHNR-SECBINFHSA-N 1 0 204.273 1.997 10 0 BDAERO COc1ccc2cc([C@@](C)([NH3+])C(N)=O)ccc2c1 ZINC000037514965 175225181 /nfs/dbraw/zinc/22/51/81/175225181.db2.gz RSRNMROUTJZQOD-CQSZACIVSA-N 1 0 244.294 1.508 10 0 BDAERO COc1cccc(-c2nnc(CCC[NH3+])o2)c1 ZINC000011585934 175237097 /nfs/dbraw/zinc/23/70/97/175237097.db2.gz HGUUGNQHXDCNKV-UHFFFAOYSA-N 1 0 233.271 1.637 10 0 BDAERO COc1cccc(-n2nnnc2C[NH2+]C(C)C)c1 ZINC000054744492 175239492 /nfs/dbraw/zinc/23/94/92/175239492.db2.gz STBSHIFEMIHMEZ-UHFFFAOYSA-N 1 0 247.302 1.169 10 0 BDAERO COc1cccc(C(CC[NH3+])(OC)OC)c1 ZINC000057517050 175247126 /nfs/dbraw/zinc/24/71/26/175247126.db2.gz QEJPKKVNCFIRHQ-UHFFFAOYSA-N 1 0 225.288 1.490 10 0 BDAERO COc1cccc(C[C@@H](O)[C@H]2CCC[NH2+]C2)c1 ZINC000041266116 175271425 /nfs/dbraw/zinc/27/14/25/175271425.db2.gz YTLMKGFRGUXKGL-GXTWGEPZSA-N 1 0 235.327 1.598 10 0 BDAERO COc1cccc(C[C@@H]2CC[NH2+]C2)c1OC ZINC000020445173 175271928 /nfs/dbraw/zinc/27/19/28/175271928.db2.gz HFTHUXHTAJIROC-JTQLQIEISA-N 1 0 221.300 1.856 10 0 BDAERO COc1cccc(C[C@H](O)C[NH2+]C(C)C)c1 ZINC000071525166 175272125 /nfs/dbraw/zinc/27/21/25/175272125.db2.gz GUDALUSNRJRKPF-LBPRGKRZSA-N 1 0 223.316 1.597 10 0 BDAERO COc1cccc(C[C@H]2CC[NH2+]C2)c1OC ZINC000020445177 175272856 /nfs/dbraw/zinc/27/28/56/175272856.db2.gz HFTHUXHTAJIROC-SNVBAGLBSA-N 1 0 221.300 1.856 10 0 BDAERO COc1cccc(N(C)C[C@@H](C)C[NH3+])c1 ZINC000049814327 175275220 /nfs/dbraw/zinc/27/52/20/175275220.db2.gz CLVGMIZKLZOUSO-JTQLQIEISA-N 1 0 208.305 1.726 10 0 BDAERO COc1cccc(OC)c1-c1nc(CC[NH3+])no1 ZINC000019682123 175281051 /nfs/dbraw/zinc/28/10/51/175281051.db2.gz LGLNJXMRGNRWDJ-UHFFFAOYSA-N 1 0 249.270 1.255 10 0 BDAERO COc1cccc(OC[C@H](C)C[NH3+])c1OC ZINC000041245782 175284242 /nfs/dbraw/zinc/28/42/42/175284242.db2.gz LQUWWWIMTHTGSA-SECBINFHSA-N 1 0 225.288 1.677 10 0 BDAERO COc1cccc([C@@H](C[NH3+])n2ccnc2)c1 ZINC000043028745 175287550 /nfs/dbraw/zinc/28/75/50/175287550.db2.gz UDIYGFIQWQCJIX-GFCCVEGCSA-N 1 0 217.272 1.440 10 0 BDAERO COc1cccc([C@@]2(C)OC[C@@H](C[NH3+])O2)c1 ZINC000049819287 175291484 /nfs/dbraw/zinc/29/14/84/175291484.db2.gz ADNYRRMBVCZISS-NEPJUHHUSA-N 1 0 223.272 1.242 10 0 BDAERO COc1cccc([C@@](C)([NH2+]CC2CC2)C(N)=O)c1 ZINC000037952163 175291722 /nfs/dbraw/zinc/29/17/22/175291722.db2.gz GEKBOTOUFIUFFP-CQSZACIVSA-N 1 0 248.326 1.395 10 0 BDAERO COc1cccc([C@H]([C@@H](C)[NH3+])n2cccn2)c1 ZINC000043028709 175296371 /nfs/dbraw/zinc/29/63/71/175296371.db2.gz GFLBXMIDSPEZJF-MFKMUULPSA-N 1 0 231.299 1.828 10 0 BDAERO COc1cccc([C@](C)([NH3+])Cc2cnn(C)c2)c1 ZINC000050541702 175296694 /nfs/dbraw/zinc/29/66/94/175296694.db2.gz BJYFUSKJBFQJIQ-CQSZACIVSA-N 1 0 245.326 1.845 10 0 BDAERO COc1cccc2c([C@@H](C[NH3+])N(C)C)c[nH]c21 ZINC000082605158 175300243 /nfs/dbraw/zinc/30/02/43/175300243.db2.gz MZDYWCKVIJXYKJ-LLVKDONJSA-N 1 0 233.315 1.738 10 0 BDAERO COc1cccc2c1O[C@H](C1=[NH+]CCN1)C2 ZINC000027649693 175304625 /nfs/dbraw/zinc/30/46/25/175304625.db2.gz ZKVPZHBOSRHWHK-JTQLQIEISA-N 1 0 218.256 1.000 10 0 BDAERO COc1ccccc1CC[C@@H](O)CC[NH3+] ZINC000041218541 175323159 /nfs/dbraw/zinc/32/31/59/175323159.db2.gz CRNIDYHOXUHCAQ-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO COc1ccccc1C[C@@](C)([NH3+])c1noc(C)n1 ZINC000037735043 175333196 /nfs/dbraw/zinc/33/31/96/175333196.db2.gz KJSKEXCOPSMITI-CYBMUJFWSA-N 1 0 247.298 1.803 10 0 BDAERO COc1ccccc1C[C@H]([NH3+])c1cnn(C)c1 ZINC000036723671 175333429 /nfs/dbraw/zinc/33/34/29/175333429.db2.gz PJNDNUAZQRVZMD-LBPRGKRZSA-N 1 0 231.299 1.671 10 0 BDAERO COc1ccccc1Cn1ccnc1CC[NH3+] ZINC000052304287 175335009 /nfs/dbraw/zinc/33/50/09/175335009.db2.gz HJKIWXPFICCFRI-UHFFFAOYSA-N 1 0 231.299 1.441 10 0 BDAERO COc1ccccc1N(C)CCCC[NH3+] ZINC000049814326 175335812 /nfs/dbraw/zinc/33/58/12/175335812.db2.gz ASRIITUBECTATG-UHFFFAOYSA-N 1 0 208.305 1.870 10 0 BDAERO COc1ccccc1N1CCC[NH2+]CCC1 ZINC000049663116 175336016 /nfs/dbraw/zinc/33/60/16/175336016.db2.gz QAUXHRLGBPQHRH-UHFFFAOYSA-N 1 0 220.316 1.885 10 0 BDAERO COc1ccccc1NC(=O)c1ccc(C[NH3+])o1 ZINC000011628115 175336971 /nfs/dbraw/zinc/33/69/71/175336971.db2.gz KJUVQOJVGSPSNF-UHFFFAOYSA-N 1 0 246.266 1.999 10 0 BDAERO COc1ccccc1OCCC(=O)[C@@H]1CCC[NH2+]1 ZINC000041303405 175340646 /nfs/dbraw/zinc/34/06/46/175340646.db2.gz GRBQCRICCOSAIT-NSHDSACASA-N 1 0 249.310 1.785 10 0 BDAERO COc1ccccc1[C@@H](O)CC[NH2+]C1CC1 ZINC000049818375 175347166 /nfs/dbraw/zinc/34/71/66/175347166.db2.gz QETIHSJVCOFKDZ-LBPRGKRZSA-N 1 0 221.300 1.871 10 0 BDAERO COc1ccccc1[C@@H]1C[NH2+]C[C@@H](C)O1 ZINC000032011704 175348917 /nfs/dbraw/zinc/34/89/17/175348917.db2.gz FTKMBYFFWWIEHQ-SKDRFNHKSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)[NH3+] ZINC000037808305 175351214 /nfs/dbraw/zinc/35/12/14/175351214.db2.gz XSYXJHUDBKVNOD-UWVGGRQHSA-N 1 0 236.315 1.562 10 0 BDAERO COc1cc[nH+]c(N(C)C)c1OC1CC1 ZINC000095729132 175361520 /nfs/dbraw/zinc/36/15/20/175361520.db2.gz QCLUQYOPIZGQMZ-UHFFFAOYSA-N 1 0 208.261 1.697 10 0 BDAERO COc1cncc(N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000034146795 175386802 /nfs/dbraw/zinc/38/68/02/175386802.db2.gz YONFMTQFKOOPLD-CYBMUJFWSA-N 1 0 233.315 1.280 10 0 BDAERO COc1nc(C)c(C[NH2+]C(C)C)s1 ZINC000045205486 175388959 /nfs/dbraw/zinc/38/89/59/175388959.db2.gz JHHKYWQWFIZMMD-UHFFFAOYSA-N 1 0 200.307 1.958 10 0 BDAERO COc1nc(C)c([C@H]2CCC[NH2+]C2)s1 ZINC000082965268 175389408 /nfs/dbraw/zinc/38/94/08/175389408.db2.gz OTLOUHSFLAIEQN-QMMMGPOBSA-N 1 0 212.318 1.927 10 0 BDAERO COc1nc(N[C@@H](C)CC[NH+](C)C)ccc1N ZINC000049555346 175395930 /nfs/dbraw/zinc/39/59/30/175395930.db2.gz TYCZUFQLMYBTNY-VIFPVBQESA-N 1 0 238.335 1.425 10 0 BDAERO C[C@@H](C[NH3+])CCC(=O)NC1CCCCC1 ZINC000076585671 175705977 /nfs/dbraw/zinc/70/59/77/175705977.db2.gz GVBLJDMJDUTUGL-SNVBAGLBSA-N 1 0 212.337 1.810 10 0 BDAERO C[C@@H]([NH3+])CCN1C(=O)c2ccccc2C1=O ZINC000057336802 175805337 /nfs/dbraw/zinc/80/53/37/175805337.db2.gz DZAIUOKVOOHPGY-MRVPVSSYSA-N 1 0 218.256 1.020 10 0 BDAERO C[C@@H]([NH3+])Cc1ccccc1OC[C@@H]1CCOC1 ZINC000049689879 175807429 /nfs/dbraw/zinc/80/74/29/175807429.db2.gz VUBXXKVABKGIIL-VXGBXAGGSA-N 1 0 235.327 1.992 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000062112860 175843854 /nfs/dbraw/zinc/84/38/54/175843854.db2.gz TYXGPJHSPRONFS-RKDXNWHRSA-N 1 0 208.261 1.066 10 0 BDAERO C[C@@H](O)C[NH2+]Cc1cccc(F)c1Cl ZINC000083349144 175981527 /nfs/dbraw/zinc/98/15/27/175981527.db2.gz XTRDUMOPOCQGGK-SSDOTTSWSA-N 1 0 217.671 1.950 10 0 BDAERO C[C@@H](OC[C@H](O)C[NH2+]C(C)(C)C)C1CC1 ZINC000028757625 176003059 /nfs/dbraw/zinc/00/30/59/176003059.db2.gz QKONUFFBHJDHPZ-MWLCHTKSSA-N 1 0 215.337 1.551 10 0 BDAERO C[C@@H]([NH3+])c1ccc(O[C@H](C)C(=O)N(C)C)cc1 ZINC000020419355 176004584 /nfs/dbraw/zinc/00/45/84/176004584.db2.gz TVLRJLOJVMRHEE-NXEZZACHSA-N 1 0 236.315 1.562 10 0 BDAERO C[C@@H]([C@@H]([NH3+])c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000075429654 176010852 /nfs/dbraw/zinc/01/08/52/176010852.db2.gz PQFPUVTWQNGKTL-QUBYGPBYSA-N 1 0 249.282 1.398 10 0 BDAERO C[C@@H]([C@@H]1CCCC[NH2+]1)N1C(=O)CCCC1=O ZINC000035691818 176011992 /nfs/dbraw/zinc/01/19/92/176011992.db2.gz HRAXWYMKEQADEJ-UWVGGRQHSA-N 1 0 224.304 1.056 10 0 BDAERO C[C@@H]([C@@H]1COc2ccccc2O1)[NH+](C)C ZINC000137916127 176012466 /nfs/dbraw/zinc/01/24/66/176012466.db2.gz KMGDYWOLQIXFAK-CABZTGNLSA-N 1 0 207.273 1.777 10 0 BDAERO C[C@@H](c1ccc2c(c1)OCCO2)N(C)CC[NH3+] ZINC000054416683 176016868 /nfs/dbraw/zinc/01/68/68/176016868.db2.gz RCXAIQXQAPQCPM-JTQLQIEISA-N 1 0 236.315 1.409 10 0 BDAERO C[C@@H](c1ccc(O)cc1)N1CCC[C@H]([NH3+])C1 ZINC000041027762 176016914 /nfs/dbraw/zinc/01/69/14/176016914.db2.gz VPUDRMCLJBUJDG-JQWIXIFHSA-N 1 0 220.316 1.876 10 0 BDAERO C[C@@H](c1cccc(O)c1)N1CCC([NH3+])CC1 ZINC000020521449 176019212 /nfs/dbraw/zinc/01/92/12/176019212.db2.gz HMZWBKOAXLOJCB-JTQLQIEISA-N 1 0 220.316 1.876 10 0 BDAERO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286247182 176022418 /nfs/dbraw/zinc/02/24/18/176022418.db2.gz QIYFZHWJNMWGCA-SMDDNHRTSA-N 1 0 248.326 1.060 10 0 BDAERO C[C@H](c1nnc(CC[NH3+])o1)c1ccccc1 ZINC000083349041 176024092 /nfs/dbraw/zinc/02/40/92/176024092.db2.gz RUZCBAGGYFIYIV-VIFPVBQESA-N 1 0 217.272 1.723 10 0 BDAERO C[C@@H](c1cnn(C)c1)N1CCCC[C@@H]1C[NH3+] ZINC000044540598 176036629 /nfs/dbraw/zinc/03/66/29/176036629.db2.gz LSTXYGZOIYWZSE-CMPLNLGQSA-N 1 0 222.336 1.294 10 0 BDAERO C[C@@H]([NH3+])c1cccc(N2C(=O)C[C@@H](C)C2=O)c1 ZINC000038051953 176049236 /nfs/dbraw/zinc/04/92/36/176049236.db2.gz XYQUZLGIEJVRJH-RKDXNWHRSA-N 1 0 232.283 1.606 10 0 BDAERO C[C@@H]1CC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C[C@@H](C)O1 ZINC000309807340 176055061 /nfs/dbraw/zinc/05/50/61/176055061.db2.gz SNPVMFAMTNWODN-HFULGKRXSA-N 1 0 225.332 1.424 10 0 BDAERO C[C@@H]1CCCC[C@]1(CN)[N@@H+]1CCCOCC1 ZINC000061916632 176090415 /nfs/dbraw/zinc/09/04/15/176090415.db2.gz USYUVGCYBUFSNN-CHWSQXEVSA-N 1 0 226.364 1.616 10 0 BDAERO C[C@@H]1CCCN(C(=O)C[NH2+]C2CCCC2)C1 ZINC000037394917 176092173 /nfs/dbraw/zinc/09/21/73/176092173.db2.gz RUWJVXGJBXLPFZ-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccnc2)C1 ZINC000252214033 176099612 /nfs/dbraw/zinc/09/96/12/176099612.db2.gz XDSMKLDEKAZFFJ-DGCLKSJQSA-N 1 0 220.316 1.847 10 0 BDAERO C[C@@H]1CCC[N@@H+]([C@]2(CN)CCCSC2)C1 ZINC000061589849 176103398 /nfs/dbraw/zinc/10/33/98/176103398.db2.gz FFZYJOWPMVUILD-NEPJUHHUSA-N 1 0 228.405 1.943 10 0 BDAERO C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037911988 176106526 /nfs/dbraw/zinc/10/65/26/176106526.db2.gz UDRKTCSVXBPXGU-MROQNXINSA-N 1 0 236.359 1.918 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NC1CCCC1 ZINC000051792021 176111695 /nfs/dbraw/zinc/11/16/95/176111695.db2.gz OXHFMAOLJAVAPL-KOLCDFICSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@@H]1CCC[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000336781986 176126320 /nfs/dbraw/zinc/12/63/20/176126320.db2.gz WIHKAGHHXMSORH-MNOVXSKESA-N 1 0 226.364 1.927 10 0 BDAERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336776459 176132678 /nfs/dbraw/zinc/13/26/78/176132678.db2.gz FWPREDHWFUNHCS-VWYCJHECSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)NCC(F)(F)F)[NH2+]1 ZINC000019503586 176135945 /nfs/dbraw/zinc/13/59/45/176135945.db2.gz HKNZCBPDBBAUIN-RNFRBKRXSA-N 1 0 224.226 1.196 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000336675426 176144827 /nfs/dbraw/zinc/14/48/27/176144827.db2.gz BAOGHEVUDUICQI-WYUUTHIRSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]1CC[NH2+]CCN1Cc1ccccn1 ZINC000071509820 176185433 /nfs/dbraw/zinc/18/54/33/176185433.db2.gz MCLFHDWQEHUKHA-LLVKDONJSA-N 1 0 205.305 1.265 10 0 BDAERO C[C@@H]1CC[C@H](CN2C(=O)CCCCC2=O)C[NH2+]1 ZINC000062037614 176223419 /nfs/dbraw/zinc/22/34/19/176223419.db2.gz KENTUZWNBXAOOU-MNOVXSKESA-N 1 0 238.331 1.304 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCCCCC2)CCO1 ZINC000019482643 176279744 /nfs/dbraw/zinc/27/97/44/176279744.db2.gz ZUXDJCMIALDMEG-GFCCVEGCSA-N 1 0 226.364 1.759 10 0 BDAERO C[C@@H]1CN(CCCCC2CCOCC2)C[C@@H]1[NH3+] ZINC000302252394 176287372 /nfs/dbraw/zinc/28/73/72/176287372.db2.gz LEEPTTAGVCAKLI-OCCSQVGLSA-N 1 0 240.391 1.862 10 0 BDAERO C[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000026515219 176292405 /nfs/dbraw/zinc/29/24/05/176292405.db2.gz KQGUQLJEJBDBSF-UPJWGTAASA-N 1 0 226.364 1.628 10 0 BDAERO C[C@@H]1CN(C[C@H]([NH3+])C(C)(C)C)CCO1 ZINC000036875068 176298519 /nfs/dbraw/zinc/29/85/19/176298519.db2.gz WCVOUIRTFLAVKT-ZJUUUORDSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)CCO1 ZINC000019470715 176303020 /nfs/dbraw/zinc/30/30/20/176303020.db2.gz RSRXALDEWKVAHF-SNVBAGLBSA-N 1 0 233.315 1.191 10 0 BDAERO C[C@@H]1CN(Cc2cccc(C[NH3+])c2)[C@H](C)CO1 ZINC000035782979 176306344 /nfs/dbraw/zinc/30/63/44/176306344.db2.gz SPYKDNNQICEYIY-VXGBXAGGSA-N 1 0 234.343 1.755 10 0 BDAERO C[C@@H]1CN(Cc2ccccc2C[NH3+])CCO1 ZINC000021955947 176307765 /nfs/dbraw/zinc/30/77/65/176307765.db2.gz OTNQUUBRJMXRKD-LLVKDONJSA-N 1 0 220.316 1.366 10 0 BDAERO C[C@@H]1CN(Cc2occc2C[NH3+])[C@H](C)CO1 ZINC000052476444 176313542 /nfs/dbraw/zinc/31/35/42/176313542.db2.gz PLUBYZZHGRHQKE-NXEZZACHSA-N 1 0 224.304 1.348 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)CCS1 ZINC000119268788 176315280 /nfs/dbraw/zinc/31/52/80/176315280.db2.gz USZRVZOCBVEYIC-MXWKQRLJSA-N 1 0 215.362 1.727 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@H](CN)C2CCCC2)CCCO1 ZINC000061915643 176316047 /nfs/dbraw/zinc/31/60/47/176316047.db2.gz XEBGZIBWCXBOHK-YPMHNXCESA-N 1 0 226.364 1.615 10 0 BDAERO C[C@@H]1CN(c2nc3ccccc3[nH]2)C[C@@H]1[NH+](C)C ZINC000270545681 176320726 /nfs/dbraw/zinc/32/07/26/176320726.db2.gz DQVIVOIYTOTVEC-MFKMUULPSA-N 1 0 244.342 1.949 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1cccnc1 ZINC000083604662 176322731 /nfs/dbraw/zinc/32/27/31/176322731.db2.gz MTBXALRVDNYLNS-UKRRQHHQSA-N 1 0 245.370 1.793 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCCF ZINC000308882753 176322842 /nfs/dbraw/zinc/32/28/42/176322842.db2.gz DPKWLLBZTOQSMG-NEPJUHHUSA-N 1 0 214.328 1.905 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccn1 ZINC000083550872 176323233 /nfs/dbraw/zinc/32/32/33/176323233.db2.gz FYKVCSDPYMFQBU-TZMCWYRMSA-N 1 0 231.343 1.750 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ccncc1 ZINC000083550971 176323317 /nfs/dbraw/zinc/32/33/17/176323317.db2.gz AYRVYUPFXNJZAP-UKRRQHHQSA-N 1 0 245.370 1.793 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH]cn1 ZINC000093437445 176323676 /nfs/dbraw/zinc/32/36/76/176323676.db2.gz QWCLIKYQQOGTGU-ZYHUDNBSSA-N 1 0 220.320 1.078 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccnc(N)c1 ZINC000251767654 176324740 /nfs/dbraw/zinc/32/47/40/176324740.db2.gz MEKZHBMUAFOUMJ-YPMHNXCESA-N 1 0 246.358 1.332 10 0 BDAERO C[C@@H]1C[NH2+]CCN(Cc2ccccn2)C1 ZINC000049662105 176325714 /nfs/dbraw/zinc/32/57/14/176325714.db2.gz NTKNXVXFUTYRIZ-LLVKDONJSA-N 1 0 205.305 1.123 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1NC(=O)OCc1ccccc1 ZINC000075824230 176329206 /nfs/dbraw/zinc/32/92/06/176329206.db2.gz ORIALMRPKUNXMM-PWSUYJOCSA-N 1 0 234.299 1.521 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCc1ccccc1 ZINC000104222092 176329406 /nfs/dbraw/zinc/32/94/06/176329406.db2.gz PWGJAXSQTYVKMC-YPMHNXCESA-N 1 0 232.327 1.201 10 0 BDAERO C[C@@H]1CSC(NC[C@H]2CCOC2)=[NH+]1 ZINC000061147023 176349226 /nfs/dbraw/zinc/34/92/26/176349226.db2.gz BSJBWVPYEFWKHO-HTQZYQBOSA-N 1 0 200.307 1.104 10 0 BDAERO C[C@@H]1CSC(NCc2nccs2)=[NH+]1 ZINC000049534290 176349290 /nfs/dbraw/zinc/34/92/90/176349290.db2.gz VGYQRXVNZNSTAH-ZCFIWIBFSA-N 1 0 213.331 1.724 10 0 BDAERO C[C@@H]1CSC(NCCc2ccncc2)=[NH+]1 ZINC000048262861 176349416 /nfs/dbraw/zinc/34/94/16/176349416.db2.gz YXZFAEDIUIRDHY-SECBINFHSA-N 1 0 221.329 1.705 10 0 BDAERO C[C@@H]1CSC[C@@](C)(C[NH+](C)C)C1=O ZINC000039104987 176354435 /nfs/dbraw/zinc/35/44/35/176354435.db2.gz MGXGHHFGWDLUGY-PSASIEDQSA-N 1 0 201.335 1.506 10 0 BDAERO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000336656893 176356224 /nfs/dbraw/zinc/35/62/24/176356224.db2.gz PDNLYHDDAVTTNB-OPRDCNLKSA-N 1 0 217.378 1.735 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])c2cccc(Cl)c2S1(=O)=O ZINC000035752136 176371069 /nfs/dbraw/zinc/37/10/69/176371069.db2.gz RPKMFUNQCRYXBX-HZGVNTEJSA-N 1 0 245.731 1.906 10 0 BDAERO C[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2[NH2+]1 ZINC000082327554 176408463 /nfs/dbraw/zinc/40/84/63/176408463.db2.gz IMGCYFQUJFSFQQ-MXWKQRLJSA-N 1 0 240.347 1.994 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC1CC1 ZINC000335593376 176459176 /nfs/dbraw/zinc/45/91/76/176459176.db2.gz GJMVSCXBGXHVFM-GXSJLCMTSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@H](C[NH3+])COc1cccc(F)c1F ZINC000062613178 176659185 /nfs/dbraw/zinc/65/91/85/176659185.db2.gz VFOVUCWOHLBHOE-SSDOTTSWSA-N 1 0 201.216 1.938 10 0 BDAERO C[C@H]([NH3+])CNC(=O)/C=C/c1ccc(F)cc1 ZINC000074532995 176760425 /nfs/dbraw/zinc/76/04/25/176760425.db2.gz XYXRGWMEAUDWCQ-IYNCYZAOSA-N 1 0 222.263 1.302 10 0 BDAERO C[C@H]([NH3+])Cc1cc2c(cc1OC(F)F)OCO2 ZINC000042877925 176761864 /nfs/dbraw/zinc/76/18/64/176761864.db2.gz VGQIDBLXHUIYMF-LURJTMIESA-N 1 0 245.225 1.906 10 0 BDAERO C[C@H]([NH3+])Cc1ccc(OCc2ncon2)cc1 ZINC000037723734 176761890 /nfs/dbraw/zinc/76/18/90/176761890.db2.gz WQICUMPSODIHDV-VIFPVBQESA-N 1 0 233.271 1.538 10 0 BDAERO C[C@H]([NH3+])[C@@](O)(c1ccccc1)C(F)(F)F ZINC000062784333 176768961 /nfs/dbraw/zinc/76/89/61/176768961.db2.gz ZIHBVNLZWZXMDX-IONNQARKSA-N 1 0 219.206 1.784 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(C[NH3+])cc1 ZINC000037747669 176808777 /nfs/dbraw/zinc/80/87/77/176808777.db2.gz VMQSGMNQWQZMGL-GWCFXTLKSA-N 1 0 248.326 1.502 10 0 BDAERO C[C@H]([NH2+]C(CO)CO)c1ccc(Cl)s1 ZINC000083691224 176824403 /nfs/dbraw/zinc/82/44/03/176824403.db2.gz LFHAMJNEINEVRF-LURJTMIESA-N 1 0 235.736 1.405 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])c1nc2cc(F)ccc2n1C ZINC000037439287 177006884 /nfs/dbraw/zinc/00/68/84/177006884.db2.gz XYLASCQCHTTWQU-QUBYGPBYSA-N 1 0 223.251 1.093 10 0 BDAERO C[C@H](O)[C@H]([NH3+])c1nc2cc(F)ccc2[nH]1 ZINC000037439127 177014306 /nfs/dbraw/zinc/01/43/06/177014306.db2.gz GEGRXJCHPYUGES-CDUCUWFYSA-N 1 0 209.224 1.083 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)[C@@](C)([NH3+])C1CC1 ZINC000049547459 177017826 /nfs/dbraw/zinc/01/78/26/177017826.db2.gz IZXFXDHKTPHCQK-XPTSAGLGSA-N 1 0 248.326 1.806 10 0 BDAERO C[C@@H]([NH3+])CC(=O)Nc1ccccc1[C@H](C)O ZINC000049547436 177017899 /nfs/dbraw/zinc/01/78/99/177017899.db2.gz YKBPORGNMGPYNU-BDAKNGLRSA-N 1 0 222.288 1.416 10 0 BDAERO C[C@H](O)c1ccccc1N[C@H]1CC[N@H+](C)C1 ZINC000061989643 177018215 /nfs/dbraw/zinc/01/82/15/177018215.db2.gz GWGJQCZQHOYYGZ-QWRGUYRKSA-N 1 0 220.316 1.856 10 0 BDAERO C[C@H](Oc1ccc2ccccc2c1C[NH3+])C(N)=O ZINC000035630576 177023044 /nfs/dbraw/zinc/02/30/44/177023044.db2.gz IUWZSJLQBCFGCL-VIFPVBQESA-N 1 0 244.294 1.551 10 0 BDAERO C[C@H](Oc1cccc(CC[NH3+])c1)C(=O)NC1CC1 ZINC000037721317 177023230 /nfs/dbraw/zinc/02/32/30/177023230.db2.gz WTCXXJWBIIFMOS-JTQLQIEISA-N 1 0 248.326 1.234 10 0 BDAERO C[C@H]([C@H]1CCCC[NH2+]1)N1CCCOC1=O ZINC000043373334 177031547 /nfs/dbraw/zinc/03/15/47/177031547.db2.gz TUIMARQJMVPOJG-NXEZZACHSA-N 1 0 212.293 1.359 10 0 BDAERO C[C@H](c1ccc(C[NH3+])cc1)N1C(=O)CCCC1=O ZINC000037747993 177033500 /nfs/dbraw/zinc/03/35/00/177033500.db2.gz UITKNHFDYSNGIW-SNVBAGLBSA-N 1 0 246.310 1.745 10 0 BDAERO C[C@H](c1ccc(O)cc1)N1CCC[NH2+]CC1 ZINC000038086840 177035822 /nfs/dbraw/zinc/03/58/22/177035822.db2.gz LGDOMGDBJVZOMZ-LLVKDONJSA-N 1 0 220.316 1.749 10 0 BDAERO C[C@H](c1cccc(F)c1)N1CC[C@@H]([NH3+])C1=O ZINC000049660051 177036490 /nfs/dbraw/zinc/03/64/90/177036490.db2.gz QXDPOEZXOJTTFU-LDYMZIIASA-N 1 0 222.263 1.446 10 0 BDAERO C[C@H](c1ccccc1)N(C)C(=O)C(C)(C)[NH3+] ZINC000048611072 177037700 /nfs/dbraw/zinc/03/77/00/177037700.db2.gz ZDLZFQQOAQENTO-SNVBAGLBSA-N 1 0 220.316 1.943 10 0 BDAERO C[C@H](c1ccccc1)N1C[C@@H]([NH3+])CC1=O ZINC000020274634 177040412 /nfs/dbraw/zinc/04/04/12/177040412.db2.gz BRBZUFYNCDRBQV-KOLCDFICSA-N 1 0 204.273 1.307 10 0 BDAERO C[C@H](c1ccccn1)N1CCC[C@@H]1C[NH3+] ZINC000095068291 177044030 /nfs/dbraw/zinc/04/40/30/177044030.db2.gz GIMFWFPUAQUKAV-GHMZBOCLSA-N 1 0 205.305 1.566 10 0 BDAERO C[C@H](c1nc2c(cccc2F)[nH]1)N1CC[NH2+]CC1 ZINC000051640009 177053058 /nfs/dbraw/zinc/05/30/58/177053058.db2.gz JYEVXFOTCHAIJT-SECBINFHSA-N 1 0 248.305 1.668 10 0 BDAERO C[C@H]1CC(=O)N(c2cccc3c2CC[NH2+]C3)C1=O ZINC000103103088 177062380 /nfs/dbraw/zinc/06/23/80/177062380.db2.gz ZRZGFJGSSDYXGX-VIFPVBQESA-N 1 0 244.294 1.232 10 0 BDAERO C[C@H]1CC(=O)N(c2cccc(C[NH3+])c2)C1=O ZINC000103378481 177062821 /nfs/dbraw/zinc/06/28/21/177062821.db2.gz WZIMJDSBPZTKKC-QMMMGPOBSA-N 1 0 218.256 1.045 10 0 BDAERO C[C@@H]1CC([NH2+][C@@H]2CCN(C)C2)C[C@H](C)O1 ZINC000096033767 177065276 /nfs/dbraw/zinc/06/52/76/177065276.db2.gz SVGGRQLLHSQLCK-FBTJUVTCSA-N 1 0 212.337 1.236 10 0 BDAERO C[C@@H]1[C@@H](C)CCCN1C(=O)N1CC[NH2+]CC1 ZINC000050564143 177092622 /nfs/dbraw/zinc/09/26/22/177092622.db2.gz WNZTVJSDVPUQJY-WDEREUQCSA-N 1 0 225.336 1.132 10 0 BDAERO C[C@H]1CCC[N@H+](CCCn2cc(N)ccc2=O)C1 ZINC000037065101 177098189 /nfs/dbraw/zinc/09/81/89/177098189.db2.gz CRWNTZBYQAYZEC-LBPRGKRZSA-N 1 0 249.358 1.553 10 0 BDAERO C[C@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C)[NH2+]1 ZINC000019482582 177113168 /nfs/dbraw/zinc/11/31/68/177113168.db2.gz UOYLXUJPVCKPBU-SRVKXCTJSA-N 1 0 224.348 1.918 10 0 BDAERO C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790085 177125579 /nfs/dbraw/zinc/12/55/79/177125579.db2.gz ILTQAYDETSXYTC-TUAOUCFPSA-N 1 0 212.337 1.095 10 0 BDAERO C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1[NH3+] ZINC000055124401 177128953 /nfs/dbraw/zinc/12/89/53/177128953.db2.gz SAERYEFCZMYSHN-FIQHERPVSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@H]1CCC[C@H](S(=O)(=O)CCC[NH3+])C1 ZINC000054688623 177139116 /nfs/dbraw/zinc/13/91/16/177139116.db2.gz MUSSJJFRCUSSKS-UWVGGRQHSA-N 1 0 219.350 1.329 10 0 BDAERO C[C@H]1CCN(CCc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235646132 177162350 /nfs/dbraw/zinc/16/23/50/177162350.db2.gz HGFRWBGLUTWVEQ-WCQYABFASA-N 1 0 236.363 1.022 10 0 BDAERO C[C@H]1CCN(c2cccnc2)CCC[NH2+]1 ZINC000049662976 177172099 /nfs/dbraw/zinc/17/20/99/177172099.db2.gz RLYFGKXQKILHKF-NSHDSACASA-N 1 0 205.305 1.660 10 0 BDAERO C[C@H]1CC[NH2+]CCN1Cc1ccccn1 ZINC000071509821 177174627 /nfs/dbraw/zinc/17/46/27/177174627.db2.gz MCLFHDWQEHUKHA-NSHDSACASA-N 1 0 205.305 1.265 10 0 BDAERO C[C@H]1CC[C@@H](C(=O)NCCc2ccccc2)C[NH2+]1 ZINC000019518162 177181291 /nfs/dbraw/zinc/18/12/91/177181291.db2.gz JSSUFVZEMHJHBU-GXTWGEPZSA-N 1 0 246.354 1.733 10 0 BDAERO C[C@H]1CN(C)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000341464254 177237957 /nfs/dbraw/zinc/23/79/57/177237957.db2.gz PUFVZFNIWRQZSR-FMCLSXCISA-N 1 0 240.391 1.730 10 0 BDAERO C[C@@H](O)CCC[N@@H+]1CCS[C@@H](C)C1 ZINC000336642595 177250144 /nfs/dbraw/zinc/25/01/44/177250144.db2.gz BIMDEZBXIFIZIU-ZJUUUORDSA-N 1 0 203.351 1.585 10 0 BDAERO C[C@H]1CN(C[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000034717562 177258112 /nfs/dbraw/zinc/25/81/12/177258112.db2.gz SKVPDLVFYFCTFR-SRVKXCTJSA-N 1 0 212.337 1.238 10 0 BDAERO C[C@H]1CN(Cc2cccnc2C[NH3+])CC(C)(C)O1 ZINC000061656889 177267085 /nfs/dbraw/zinc/26/70/85/177267085.db2.gz ZCSUEIJJTJALHI-NSHDSACASA-N 1 0 249.358 1.540 10 0 BDAERO C[C@H]1CN([C@@H](C[NH3+])c2ccsc2)CCCO1 ZINC000061913197 177275759 /nfs/dbraw/zinc/27/57/59/177275759.db2.gz CQQWTUNGLRCCBC-JQWIXIFHSA-N 1 0 240.372 1.859 10 0 BDAERO C[C@H]1CN(c2ncc(C[NH3+])s2)CCCO1 ZINC000061936802 177278589 /nfs/dbraw/zinc/27/85/89/177278589.db2.gz BXOKRKASXGTEEI-QMMMGPOBSA-N 1 0 227.333 1.217 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csnn1 ZINC000126701754 177279654 /nfs/dbraw/zinc/27/96/54/177279654.db2.gz WTCAEZXMOSSHGZ-GXSJLCMTSA-N 1 0 238.360 1.207 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccco1 ZINC000247170884 177280504 /nfs/dbraw/zinc/28/05/04/177280504.db2.gz KSHDKZRFFOPHKE-QWRGUYRKSA-N 1 0 234.299 1.588 10 0 BDAERO C[C@H]1COCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000131017857 177290678 /nfs/dbraw/zinc/29/06/78/177290678.db2.gz PGGUYUKKLATTGU-JTQLQIEISA-N 1 0 246.310 1.151 10 0 BDAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000246963752 177297802 /nfs/dbraw/zinc/29/78/02/177297802.db2.gz KSYNZMYEBHYVBD-GUTXKFCHSA-N 1 0 249.354 1.699 10 0 BDAERO C[C@@H]1COC[C@H](C)N1CC[NH+]1CCCCC1 ZINC000120903765 177298466 /nfs/dbraw/zinc/29/84/66/177298466.db2.gz NXFWTBJTVIZPDL-BETUJISGSA-N 1 0 226.364 1.582 10 0 BDAERO C[C@H]1COC[C@H](C)N1Cc1ccccn1 ZINC000133176512 177300565 /nfs/dbraw/zinc/30/05/65/177300565.db2.gz INKWKJWHLYGEQE-QWRGUYRKSA-N 1 0 206.289 1.691 10 0 BDAERO C[C@H]1CS(=O)(=O)c2ccc(F)cc2[C@H]1[NH3+] ZINC000035755669 177302818 /nfs/dbraw/zinc/30/28/18/177302818.db2.gz XJRGUSPBQJCUAT-WKEGUHRASA-N 1 0 229.276 1.249 10 0 BDAERO C[C@H](Cn1cccn1)NC1=[NH+][C@@H](C)CS1 ZINC000042542156 177302913 /nfs/dbraw/zinc/30/29/13/177302913.db2.gz UPGGIMJHHXARKV-BDAKNGLRSA-N 1 0 224.333 1.353 10 0 BDAERO C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)CN1C1CC1 ZINC000119140505 177330764 /nfs/dbraw/zinc/33/07/64/177330764.db2.gz JNPKNXWNNOGZCA-WCQYABFASA-N 1 0 238.375 1.628 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000290357445 177350170 /nfs/dbraw/zinc/35/01/70/177350170.db2.gz MLPRLBUDLZMUQF-YUMQZZPRSA-N 1 0 240.328 1.687 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000052276408 177350425 /nfs/dbraw/zinc/35/04/25/177350425.db2.gz HCKDDSOQUSKDRM-ZMLRMANQSA-N 1 0 244.294 1.317 10 0 BDAERO C[C@H]1C[C@H](C)C[NH+]([C@@H](CN)[C@@H]2CCCOC2)C1 ZINC000104321200 177359159 /nfs/dbraw/zinc/35/91/59/177359159.db2.gz OWRVQJXOWKFMGI-FQUUOJAGSA-N 1 0 240.391 1.718 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cc[nH]n2)C[C@H](C)O1 ZINC000282376782 177363623 /nfs/dbraw/zinc/36/36/23/177363623.db2.gz XDRXYUQHHULINT-JGPRNRPPSA-N 1 0 223.320 1.703 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccnn2C)C[C@H](C)O1 ZINC000341483393 177363777 /nfs/dbraw/zinc/36/37/77/177363777.db2.gz KHRUVCKBSJCDAF-ZSBIGDGJSA-N 1 0 237.347 1.713 10 0 BDAERO C[C@H]1C[C@H]([NH3+])c2cccc(Cl)c2S1(=O)=O ZINC000035752134 177365427 /nfs/dbraw/zinc/36/54/27/177365427.db2.gz RPKMFUNQCRYXBX-RCOVLWMOSA-N 1 0 245.731 1.906 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccsc2)C1 ZINC000306678211 177372752 /nfs/dbraw/zinc/37/27/52/177372752.db2.gz GXMHLFRPGUKOQV-ONGXEEELSA-N 1 0 211.330 1.951 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000070944321 177386088 /nfs/dbraw/zinc/38/60/88/177386088.db2.gz BXOXPYCPWZFQRZ-GXSJLCMTSA-N 1 0 201.273 1.832 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000282467998 177393495 /nfs/dbraw/zinc/39/34/95/177393495.db2.gz ULTKIQXAXMQKBM-SKDRFNHKSA-N 1 0 236.290 1.582 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000282331586 177393717 /nfs/dbraw/zinc/39/37/17/177393717.db2.gz LPLMBHRYZGWZKD-SCZZXKLOSA-N 1 0 224.329 1.505 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCCCF ZINC000309137463 177393881 /nfs/dbraw/zinc/39/38/81/177393881.db2.gz SJLXQJGNQPOHSX-NXEZZACHSA-N 1 0 216.300 1.383 10 0 BDAERO C[C@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)NC1CCOCC1 ZINC000055129840 177419954 /nfs/dbraw/zinc/41/99/54/177419954.db2.gz SMTKMLKYBRHJBF-USWWRNFRSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@](O)(C[NH3+])Cc1c(F)cccc1Cl ZINC000019684403 177448944 /nfs/dbraw/zinc/44/89/44/177448944.db2.gz GKJCSJQICOTGDG-SNVBAGLBSA-N 1 0 217.671 1.731 10 0 BDAERO C[C@H](C[NH3+])Nc1ncnc2c1CCCC2 ZINC000087308221 487638759 /nfs/dbraw/zinc/63/87/59/487638759.db2.gz LXRUGRHSVWEVKE-MRVPVSSYSA-N 1 0 206.293 1.115 10 0 BDAERO C[C@]1(c2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000054587368 177479449 /nfs/dbraw/zinc/47/94/49/177479449.db2.gz MVXRZNROIVNZRN-GXFFZTMASA-N 1 0 219.284 1.694 10 0 BDAERO C[C@]1(c2ccccc2F)C[C@@]1(C[NH3+])CO ZINC000070500936 177480284 /nfs/dbraw/zinc/48/02/84/177480284.db2.gz OTTAJTMHURNDST-VXGBXAGGSA-N 1 0 209.264 1.425 10 0 BDAERO Cc1c(CCC[NH3+])cnn1[C@@H]1CCCC[C@H]1O ZINC000054600291 177581044 /nfs/dbraw/zinc/58/10/44/177581044.db2.gz MWUFFYHNPZVIKX-CHWSQXEVSA-N 1 0 237.347 1.559 10 0 BDAERO Cc1c(N)cccc1C[NH+]1CCC(O)CC1 ZINC000035648966 177612216 /nfs/dbraw/zinc/61/22/16/177612216.db2.gz KIODWXPLGMQANT-UHFFFAOYSA-N 1 0 220.316 1.534 10 0 BDAERO C[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)CCS1 ZINC000306717821 487639566 /nfs/dbraw/zinc/63/95/66/487639566.db2.gz HWDANUXUSSKLDI-HBNTYKKESA-N 1 0 215.362 1.727 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000038097030 487641805 /nfs/dbraw/zinc/64/18/05/487641805.db2.gz QGJHDGOTUSIDPI-QJPTWQEYSA-N 1 0 213.321 1.449 10 0 BDAERO Cc1ccc(CN[C@@H](C)[C@@H]2CC[NH2+]C2)nc1C ZINC000400379903 225103464 /nfs/dbraw/zinc/10/34/64/225103464.db2.gz WSSHSTZFNUFMIQ-QWHCGFSZSA-N 1 0 233.359 1.786 10 0 BDAERO CC(C)C1([NH2+]CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000313795207 487648936 /nfs/dbraw/zinc/64/89/36/487648936.db2.gz IUTOVSUZGIRTII-STQMWFEESA-N 1 0 240.391 1.874 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2cccc(F)c2)C[C@H]1[NH3+] ZINC000493123691 226133976 /nfs/dbraw/zinc/13/39/76/226133976.db2.gz VJQISSCHBHLROT-ICJJVXPOSA-N 1 0 248.301 1.645 10 0 BDAERO CCc1nnc(C[NH2+][C@]2(C)CCO[C@H]2C)n1C ZINC000494224418 226262146 /nfs/dbraw/zinc/26/21/46/226262146.db2.gz SRWXNLFGQMSZTK-JOYOIKCWSA-N 1 0 238.335 1.035 10 0 BDAERO CC(C)C1([NH2+]CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000313795203 487649144 /nfs/dbraw/zinc/64/91/44/487649144.db2.gz IUTOVSUZGIRTII-BETUJISGSA-N 1 0 240.391 1.874 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000674972403 487662549 /nfs/dbraw/zinc/66/25/49/487662549.db2.gz UAFTZWAYJKUTEC-SDDRHHMPSA-N 1 0 241.379 1.767 10 0 BDAERO CCO[C@@H]1CCC[N@H+](CC2(O)CCC2)C1 ZINC000675069184 487666762 /nfs/dbraw/zinc/66/67/62/487666762.db2.gz QCRRAGILCFDIFE-LLVKDONJSA-N 1 0 213.321 1.402 10 0 BDAERO [NH3+][C@@H]1CN(c2cnccn2)C[C@H]1c1ccccc1 ZINC000302324940 229277048 /nfs/dbraw/zinc/27/70/48/229277048.db2.gz FLWNJRBNRZIHHB-QWHCGFSZSA-N 1 0 240.310 1.408 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087619177 487672904 /nfs/dbraw/zinc/67/29/04/487672904.db2.gz IRSNSXFKRMHTHQ-WQAKAFBOSA-N 1 0 230.311 1.398 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000221670845 487673253 /nfs/dbraw/zinc/67/32/53/487673253.db2.gz RJZIOHFTHWZEJC-GRYCIOLGSA-N 1 0 226.364 1.864 10 0 BDAERO C[C@@H]([NH3+])CNc1cccc(C(F)(F)F)n1 ZINC000082575632 487678412 /nfs/dbraw/zinc/67/84/12/487678412.db2.gz SFEHEKCXWGITPL-ZCFIWIBFSA-N 1 0 219.210 1.860 10 0 BDAERO CC[C@H](C)CC[NH2+]CC1(O)CCOCC1 ZINC000394471818 487698747 /nfs/dbraw/zinc/69/87/47/487698747.db2.gz JUOSXXWKBJDVNK-NSHDSACASA-N 1 0 215.337 1.554 10 0 BDAERO Cc1nc(NCC[NH2+]C2CC2)sc1C ZINC000083533087 487699281 /nfs/dbraw/zinc/69/92/81/487699281.db2.gz UEHUNBNHLXJPAW-UHFFFAOYSA-N 1 0 211.334 1.924 10 0 BDAERO Cc1cnc(C)c(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000630546028 487701682 /nfs/dbraw/zinc/70/16/82/487701682.db2.gz OFGVMKNKWSTKSM-WCBMZHEXSA-N 1 0 206.293 1.256 10 0 BDAERO CC[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291064 487709149 /nfs/dbraw/zinc/70/91/49/487709149.db2.gz QXQXVVZTGPRSRX-RYUDHWBXSA-N 1 0 224.348 1.777 10 0 BDAERO CC[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291066 487709170 /nfs/dbraw/zinc/70/91/70/487709170.db2.gz QXQXVVZTGPRSRX-VXGBXAGGSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@H](O)C1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000226332635 487712854 /nfs/dbraw/zinc/71/28/54/487712854.db2.gz UYIFYXXFMHUNQY-JTQLQIEISA-N 1 0 242.363 1.123 10 0 BDAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000054306060 487713875 /nfs/dbraw/zinc/71/38/75/487713875.db2.gz DVMFJTBPZNBUTD-VXGBXAGGSA-N 1 0 247.342 1.649 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)CC1([NH3+])CCC1 ZINC000226379731 487725789 /nfs/dbraw/zinc/72/57/89/487725789.db2.gz HBQXYSBNTBPAHL-VHSXEESVSA-N 1 0 210.321 1.563 10 0 BDAERO CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC(CO)C1 ZINC000658354008 487726052 /nfs/dbraw/zinc/72/60/52/487726052.db2.gz VGXIMHQWGHDPFA-WXRRBKDZSA-N 1 0 237.347 1.268 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCCO1 ZINC000309813147 487738480 /nfs/dbraw/zinc/73/84/80/487738480.db2.gz ZSEVNINVHYWETC-UPJWGTAASA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250725899 487739437 /nfs/dbraw/zinc/73/94/37/487739437.db2.gz HMUOKCMRFYAGIF-CLLJXQQHSA-N 1 0 236.359 1.585 10 0 BDAERO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250888453 487743207 /nfs/dbraw/zinc/74/32/07/487743207.db2.gz XAVIRDXSLMOKDX-WRWGMCAJSA-N 1 0 222.332 1.291 10 0 BDAERO C[N@H+](CCCCO)C[C@@H]1CCC[C@H](O)C1 ZINC000384782336 487746113 /nfs/dbraw/zinc/74/61/13/487746113.db2.gz LXTGPDUWBJSCMG-NEPJUHHUSA-N 1 0 215.337 1.242 10 0 BDAERO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2O)CCO1 ZINC000251207677 487750489 /nfs/dbraw/zinc/75/04/89/487750489.db2.gz WLYOROSFMYSHPR-GRYCIOLGSA-N 1 0 227.348 1.837 10 0 BDAERO CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000233953274 487754461 /nfs/dbraw/zinc/75/44/61/487754461.db2.gz AYHOUPALTPYGDH-NQBHXWOUSA-N 1 0 239.315 1.545 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000155618948 487754794 /nfs/dbraw/zinc/75/47/94/487754794.db2.gz VTEOZYWPPLBJBH-NXEZZACHSA-N 1 0 246.314 1.420 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000321602546 487755253 /nfs/dbraw/zinc/75/52/53/487755253.db2.gz YGGKNQQTJFTTJP-LOWDOPEQSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C[C@H](C)O1 ZINC000252743193 487756884 /nfs/dbraw/zinc/75/68/84/487756884.db2.gz OYHDREUIJFLCAK-USZNOCQGSA-N 1 0 229.364 1.939 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](O)COCCOC)C(C)C ZINC000234034510 487757916 /nfs/dbraw/zinc/75/79/16/487757916.db2.gz SITZMEYFTVSGMR-NEPJUHHUSA-N 1 0 233.352 1.035 10 0 BDAERO Cc1cc(C[NH2+]CC[C@@H]2CCCO2)nn1C ZINC000666220039 487759764 /nfs/dbraw/zinc/75/97/64/487759764.db2.gz ZUSYWFKUQUHNTI-LBPRGKRZSA-N 1 0 223.320 1.387 10 0 BDAERO [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000251597824 487775045 /nfs/dbraw/zinc/77/50/45/487775045.db2.gz ZVWGBEBSDBRXIX-WISYIIOYSA-N 1 0 222.332 1.230 10 0 BDAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000251700323 487791800 /nfs/dbraw/zinc/79/18/00/487791800.db2.gz BEXAKYKNDKQMSW-QNWHQSFQSA-N 1 0 238.375 1.866 10 0 BDAERO Cc1c(C[N@H+](CCO)C2CCCC2)cnn1C ZINC000675953941 487796320 /nfs/dbraw/zinc/79/63/20/487796320.db2.gz PUCZQIRUOHALSQ-UHFFFAOYSA-N 1 0 237.347 1.465 10 0 BDAERO CC[C@@H]1CN(c2ccc(F)cn2)CC[C@H]1[NH3+] ZINC000251810039 487801015 /nfs/dbraw/zinc/80/10/15/487801015.db2.gz ONKGBBBPFGYBOM-MWLCHTKSSA-N 1 0 223.295 1.784 10 0 BDAERO CC[C@H](C)N(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251946943 487809560 /nfs/dbraw/zinc/80/95/60/487809560.db2.gz TWZHLSPAYKLNEU-GARJFASQSA-N 1 0 212.337 1.618 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000089430664 487814554 /nfs/dbraw/zinc/81/45/54/487814554.db2.gz QCCMIGVINIQAIF-MNOVXSKESA-N 1 0 244.298 1.974 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccncc1 ZINC000089450168 487817066 /nfs/dbraw/zinc/81/70/66/487817066.db2.gz OYDBUGSXCPFLGK-NWDGAFQWSA-N 1 0 233.315 1.073 10 0 BDAERO Cc1ccnc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089450074 487817138 /nfs/dbraw/zinc/81/71/38/487817138.db2.gz HEQLBNJIISOXFH-MNOVXSKESA-N 1 0 233.315 1.704 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccncc1 ZINC000089450170 487816986 /nfs/dbraw/zinc/81/69/86/487816986.db2.gz OYDBUGSXCPFLGK-RYUDHWBXSA-N 1 0 233.315 1.073 10 0 BDAERO CN(Cc1ccncc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450815 487817520 /nfs/dbraw/zinc/81/75/20/487817520.db2.gz NMUVZQHEPFZCSM-OLZOCXBDSA-N 1 0 247.342 1.415 10 0 BDAERO Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089454433 487819230 /nfs/dbraw/zinc/81/92/30/487819230.db2.gz AFGGRMRWKMTWMJ-GXTWGEPZSA-N 1 0 246.354 1.986 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](O)C2)C[C@H](C)O1 ZINC000252178713 487820207 /nfs/dbraw/zinc/82/02/07/487820207.db2.gz SNFRCEBOEQJOSS-MLGHIDQZSA-N 1 0 227.348 1.836 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)C1CCC(F)(F)CC1 ZINC000234415355 487823062 /nfs/dbraw/zinc/82/30/62/487823062.db2.gz YNSIJIURLQQROP-QMMMGPOBSA-N 1 0 234.290 1.536 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])o1 ZINC000089461650 487823771 /nfs/dbraw/zinc/82/37/71/487823771.db2.gz BKWJQTGXVMYBED-JQWIXIFHSA-N 1 0 236.315 1.579 10 0 BDAERO CCCOc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000676234827 487825747 /nfs/dbraw/zinc/82/57/47/487825747.db2.gz PIAZMZDHRQPPAQ-CYBMUJFWSA-N 1 0 248.326 1.454 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(C)cc1O ZINC000234426978 487826023 /nfs/dbraw/zinc/82/60/23/487826023.db2.gz ASPRPHCQOFEWQA-VIFPVBQESA-N 1 0 222.288 1.038 10 0 BDAERO O=C1NCC[C@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000676234513 487826076 /nfs/dbraw/zinc/82/60/76/487826076.db2.gz AZGIHGVYHOAGFP-SRHKJQAYSA-N 1 0 248.301 1.550 10 0 BDAERO CC[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000252683816 487829458 /nfs/dbraw/zinc/82/94/58/487829458.db2.gz FFQIUBKDTQYWDA-WOPDTQHZSA-N 1 0 224.348 1.620 10 0 BDAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252685420 487829745 /nfs/dbraw/zinc/82/97/45/487829745.db2.gz ICHXBGBKKDQTBP-YVECIDJPSA-N 1 0 238.375 1.864 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C[C@H](C)O1 ZINC000252743194 487832439 /nfs/dbraw/zinc/83/24/39/487832439.db2.gz OYHDREUIJFLCAK-WRWGMCAJSA-N 1 0 229.364 1.939 10 0 BDAERO CC[C@H]1CN(c2ncc(F)cn2)CC[C@H]1[NH3+] ZINC000252815459 487834471 /nfs/dbraw/zinc/83/44/71/487834471.db2.gz VEDQKWDKIQVTLP-WCBMZHEXSA-N 1 0 224.283 1.179 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]21 ZINC000252872434 487837023 /nfs/dbraw/zinc/83/70/23/487837023.db2.gz UERCJPRAUCTVHT-IKKURHKOSA-N 1 0 248.370 1.618 10 0 BDAERO CC1(C)CC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000395281174 487848934 /nfs/dbraw/zinc/84/89/34/487848934.db2.gz CPKOMKPWAUKJSY-BDAKNGLRSA-N 1 0 210.321 1.419 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC000659315583 487852705 /nfs/dbraw/zinc/85/27/05/487852705.db2.gz RVGSGMGJXZIYPY-WOPDTQHZSA-N 1 0 236.359 1.905 10 0 BDAERO C[C@@H]([NH2+]CC[C@@H]1CCNC1=O)c1cccs1 ZINC000395792198 487872883 /nfs/dbraw/zinc/87/28/83/487872883.db2.gz VOCFUYVDROUVAT-NXEZZACHSA-N 1 0 238.356 1.925 10 0 BDAERO [NH3+]Cc1cn(C[C@@H]2CCC3(CCCC3)O2)nn1 ZINC000229396383 487907882 /nfs/dbraw/zinc/90/78/82/487907882.db2.gz NBGSSXRJRVNUMJ-NSHDSACASA-N 1 0 236.319 1.229 10 0 BDAERO CCC[C@H](C)NC(=O)NC[C@@H](C)[NH2+]C ZINC000668540730 487909197 /nfs/dbraw/zinc/90/91/97/487909197.db2.gz CQAJXUUPGZEBBB-DTWKUNHWSA-N 1 0 201.314 1.082 10 0 BDAERO C[C@H]1CN(C(=O)C2([NH3+])CCCC2)CCS1 ZINC000157590783 487915482 /nfs/dbraw/zinc/91/54/82/487915482.db2.gz YOUZICIYPUCEDQ-VIFPVBQESA-N 1 0 228.361 1.222 10 0 BDAERO CCC[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226751928 487921017 /nfs/dbraw/zinc/92/10/17/487921017.db2.gz SKFZGTQRROEBKN-GARJFASQSA-N 1 0 212.337 1.809 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000667007660 487927946 /nfs/dbraw/zinc/92/79/46/487927946.db2.gz NCXAGDQSOMNRDF-QJPTWQEYSA-N 1 0 228.380 1.371 10 0 BDAERO CCOCCN(CC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000111124977 487936291 /nfs/dbraw/zinc/93/62/91/487936291.db2.gz DFUYZRDDKRVMQO-LBPRGKRZSA-N 1 0 242.363 1.261 10 0 BDAERO CCn1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000302279332 487954748 /nfs/dbraw/zinc/95/47/48/487954748.db2.gz IQWJSSGYRVGNRG-SNVBAGLBSA-N 1 0 236.319 1.231 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)Cc1c[nH]c2ccccc12 ZINC000063170469 322810020 /nfs/dbraw/zinc/81/00/20/322810020.db2.gz QKOUEADAITXEPS-SNVBAGLBSA-N 1 0 245.326 1.564 10 0 BDAERO Fc1cc(F)cc(CNC[C@H]2CC[NH2+]C2)c1 ZINC000398340109 323008031 /nfs/dbraw/zinc/00/80/31/323008031.db2.gz GHJDDZBKIKPUHO-VIFPVBQESA-N 1 0 226.270 1.664 10 0 BDAERO Cc1cccnc1CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000404870640 323031711 /nfs/dbraw/zinc/03/17/11/323031711.db2.gz FRQHIZVLWUTLPL-CYBMUJFWSA-N 1 0 236.359 1.929 10 0 BDAERO CC1(CCNC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000570164701 323051696 /nfs/dbraw/zinc/05/16/96/323051696.db2.gz SVNNGKCJAPLCGN-UHFFFAOYSA-N 1 0 240.347 1.048 10 0 BDAERO Cc1ccc(F)c(C[NH2+]CC2CC(O)C2)c1 ZINC000235904492 323105948 /nfs/dbraw/zinc/10/59/48/323105948.db2.gz ASNPYLGCWFQLFP-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000394977356 323184929 /nfs/dbraw/zinc/18/49/29/323184929.db2.gz CKCGTNFQLJXXSW-WISYIIOYSA-N 1 0 212.337 1.236 10 0 BDAERO COCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398862991 323194164 /nfs/dbraw/zinc/19/41/64/323194164.db2.gz RQXKLLAQDMNHOK-QJPTWQEYSA-N 1 0 213.321 1.116 10 0 BDAERO CC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccnn1C ZINC000521401869 323201437 /nfs/dbraw/zinc/20/14/37/323201437.db2.gz QPVYKOWOJOYLCH-NEPJUHHUSA-N 1 0 223.320 1.328 10 0 BDAERO CC(C)(C)OC[C@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000309400004 323372646 /nfs/dbraw/zinc/37/26/46/323372646.db2.gz WBOSYEQIBNBOOD-LLVKDONJSA-N 1 0 227.348 1.695 10 0 BDAERO CCC[C@H](C(=O)N(C)CCCOC)[NH+](C)C ZINC000161791900 323566053 /nfs/dbraw/zinc/56/60/53/323566053.db2.gz NVULIBUNMUWIHN-LLVKDONJSA-N 1 0 230.352 1.212 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC12CC2 ZINC000572423336 323627428 /nfs/dbraw/zinc/62/74/28/323627428.db2.gz ZRMUCEFCJAUOCQ-VHSXEESVSA-N 1 0 208.305 1.045 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@]2([NH3+])CCC[C@@H]12 ZINC000238115429 323946128 /nfs/dbraw/zinc/94/61/28/323946128.db2.gz TUBKTTUXJKGATN-BXKDBHETSA-N 1 0 226.320 1.877 10 0 BDAERO CO[C@@H]1C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000536948289 323950395 /nfs/dbraw/zinc/95/03/95/323950395.db2.gz PTQMQCURMJQIIV-JOYOIKCWSA-N 1 0 244.335 1.278 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCCF ZINC000121391330 324009997 /nfs/dbraw/zinc/00/99/97/324009997.db2.gz CNKFBIHSZLNPAV-LLVKDONJSA-N 1 0 247.358 1.622 10 0 BDAERO CCCn1cc(C[NH2+]CC2CC(O)C2)cn1 ZINC000233423440 324090439 /nfs/dbraw/zinc/09/04/39/324090439.db2.gz HSHJRQFWZJLHIP-UHFFFAOYSA-N 1 0 223.320 1.154 10 0 BDAERO CSCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000069013972 324918959 /nfs/dbraw/zinc/91/89/59/324918959.db2.gz DIXSJDFNOBQUSI-JTQLQIEISA-N 1 0 230.377 1.245 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)C1(C)C ZINC000134077088 325341279 /nfs/dbraw/zinc/34/12/79/325341279.db2.gz QVBYQOZJGRFSQH-KKOKHZNYSA-N 1 0 227.348 1.957 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(F)cn1 ZINC000134086809 325342316 /nfs/dbraw/zinc/34/23/16/325342316.db2.gz KVCRVCGVFBJVEF-SILCLGDVSA-N 1 0 224.279 1.642 10 0 BDAERO CCC[C@@H](C(=O)NCCCCOCC)[NH+](C)C ZINC000136780295 325468544 /nfs/dbraw/zinc/46/85/44/325468544.db2.gz IEGYEAFVAAOAQM-LBPRGKRZSA-N 1 0 244.379 1.650 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246065581 325539706 /nfs/dbraw/zinc/53/97/06/325539706.db2.gz RUVNLDCXDFOMHF-CHWFTXMASA-N 1 0 231.361 1.340 10 0 BDAERO C[C@@H]1CCN(C(=O)C2C[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000091409965 325686531 /nfs/dbraw/zinc/68/65/31/325686531.db2.gz MRLJPHWNTKFZGT-RAIGVLPGSA-N 1 0 236.359 1.633 10 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245.363 1.179 10 0 BDAERO CCOc1cncc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000165742480 326426137 /nfs/dbraw/zinc/42/61/37/326426137.db2.gz NGGNCIBIXXVHSQ-DTWKUNHWSA-N 1 0 224.308 1.413 10 0 BDAERO COC[C@@H](C)[NH2+]CC(=O)NCCC(C)(C)C ZINC000309500497 487978485 /nfs/dbraw/zinc/97/84/85/487978485.db2.gz ZNUQSQZXZPWABW-SNVBAGLBSA-N 1 0 230.352 1.163 10 0 BDAERO O[C@@H]1C[NH2+][C@H](c2nc(C3CCCC3)no2)C1 ZINC000159078302 487992726 /nfs/dbraw/zinc/99/27/26/487992726.db2.gz NBYGVDIXHGGVQY-IUCAKERBSA-N 1 0 223.276 1.123 10 0 BDAERO CO[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])C1CCC1 ZINC000659290406 488037908 /nfs/dbraw/zinc/03/79/08/488037908.db2.gz LLONBKRIGBMREY-TUAOUCFPSA-N 1 0 240.347 1.045 10 0 BDAERO Clc1cnccc1NC[C@H]1COCC[NH2+]1 ZINC000236037733 488038131 /nfs/dbraw/zinc/03/81/31/488038131.db2.gz CLGYUSNHWRFFRN-QMMMGPOBSA-N 1 0 227.695 1.135 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]CC1(O)CCCC1 ZINC000084236009 488040278 /nfs/dbraw/zinc/04/02/78/488040278.db2.gz ZEXNCSHIDZXGHJ-QWRGUYRKSA-N 1 0 213.321 1.042 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1CCCC1 ZINC000084308592 488043198 /nfs/dbraw/zinc/04/31/98/488043198.db2.gz CIBQQXLWDGLHET-KOLCDFICSA-N 1 0 210.321 1.420 10 0 BDAERO CN(CC1CC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309852 488043746 /nfs/dbraw/zinc/04/37/46/488043746.db2.gz LLJZHDVWUDLPGD-MNOVXSKESA-N 1 0 210.321 1.230 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000052289405 488045138 /nfs/dbraw/zinc/04/51/38/488045138.db2.gz LBDGHYCKBLJQDT-MVWJERBFSA-N 1 0 218.300 1.081 10 0 BDAERO Cc1nc2ccccn2c1C[NH2+]CC1CC(O)C1 ZINC000091415960 488050929 /nfs/dbraw/zinc/05/09/29/488050929.db2.gz DSAUXNWMHWWELK-UHFFFAOYSA-N 1 0 245.326 1.503 10 0 BDAERO CC(C)[C@]1(O)C[N@H+](Cc2cnc[nH]2)C[C@H]1C ZINC000091818129 488067498 /nfs/dbraw/zinc/06/74/98/488067498.db2.gz ZXVIURFFGXKZTM-ZYHUDNBSSA-N 1 0 223.320 1.249 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1ncnc2onc(C)c21 ZINC000133313720 488069594 /nfs/dbraw/zinc/06/95/94/488069594.db2.gz YJMUHSOQWPQLQW-VIFPVBQESA-N 1 0 247.302 1.114 10 0 BDAERO OCC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000310206778 488079050 /nfs/dbraw/zinc/07/90/50/488079050.db2.gz DARVSSXTNGGFGL-IHRRRGAJSA-N 1 0 241.375 1.632 10 0 BDAERO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCCC1 ZINC000310536086 488099450 /nfs/dbraw/zinc/09/94/50/488099450.db2.gz REZSPRWNLIUTRE-ZSBIGDGJSA-N 1 0 236.359 1.810 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389500364 488099871 /nfs/dbraw/zinc/09/98/71/488099871.db2.gz BXFAXYYTXVQARX-MROQNXINSA-N 1 0 208.349 1.859 10 0 BDAERO C[C@@H]1COCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000389603665 488102418 /nfs/dbraw/zinc/10/24/18/488102418.db2.gz WNWCBDKCADVULU-WOPDTQHZSA-N 1 0 213.321 1.258 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCOc2ccccc21 ZINC000136432795 488102615 /nfs/dbraw/zinc/10/26/15/488102615.db2.gz LMJPTBXSWDNTDI-LLVKDONJSA-N 1 0 248.326 1.785 10 0 BDAERO CC1(C)C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000309722271 488111247 /nfs/dbraw/zinc/11/12/47/488111247.db2.gz CCSXOLJBKZTLTD-VXGBXAGGSA-N 1 0 227.348 1.648 10 0 BDAERO Cc1nc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cs1 ZINC000085011950 488121654 /nfs/dbraw/zinc/12/16/54/488121654.db2.gz BTQDEDVFJOGGLK-BDAKNGLRSA-N 1 0 239.344 1.195 10 0 BDAERO NC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403684686 488132546 /nfs/dbraw/zinc/13/25/46/488132546.db2.gz XBIZNQSMRCBCLJ-XQHKEYJVSA-N 1 0 208.349 1.846 10 0 BDAERO c1ccc2c(c1)C[C@@H]2CN[C@@H]1CC[NH2+]C1 ZINC000086728145 487540128 /nfs/dbraw/zinc/54/01/28/487540128.db2.gz HFGGTLSTOMOIPJ-VXGBXAGGSA-N 1 0 202.301 1.278 10 0 BDAERO CC(C)[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000324133556 487542421 /nfs/dbraw/zinc/54/24/21/487542421.db2.gz PXSVNCHWCZRLHL-WOPDTQHZSA-N 1 0 224.348 1.665 10 0 BDAERO CSc1ccc(CCN[C@@H]2CC[NH2+]C2)cc1 ZINC000259032272 490077852 /nfs/dbraw/zinc/07/78/52/490077852.db2.gz OUJIAGAAABRBEP-GFCCVEGCSA-N 1 0 236.384 1.903 10 0 BDAERO OC[C@H]1COCC[N@@H+]1CCCc1ccccc1 ZINC000168840479 487543333 /nfs/dbraw/zinc/54/33/33/487543333.db2.gz MMMWKEZXDPBDQS-AWEZNQCLSA-N 1 0 235.327 1.312 10 0 BDAERO Cc1cc(C)c(O)c(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000094574508 487545437 /nfs/dbraw/zinc/54/54/37/487545437.db2.gz FERZNIFKYLGIET-SNVBAGLBSA-N 1 0 234.299 1.557 10 0 BDAERO CCc1nn(C)cc1CN1CCCC[C@@H]1C[NH3+] ZINC000168859481 487548101 /nfs/dbraw/zinc/54/81/01/487548101.db2.gz ZPHYTFKLDCVTKX-GFCCVEGCSA-N 1 0 236.363 1.296 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2CO)o1 ZINC000685572429 487552611 /nfs/dbraw/zinc/55/26/11/487552611.db2.gz MHJNPGFOIIJTQR-NEPJUHHUSA-N 1 0 238.331 1.932 10 0 BDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCCF ZINC000121356152 490082567 /nfs/dbraw/zinc/08/25/67/490082567.db2.gz HPTULIXQEOAAMK-JTQLQIEISA-N 1 0 233.331 1.376 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000668240497 487532043 /nfs/dbraw/zinc/53/20/43/487532043.db2.gz KHHRPCHYHKTZGJ-XQQFMLRXSA-N 1 0 224.348 1.238 10 0 BDAERO CC(C)[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000323963862 487473213 /nfs/dbraw/zinc/47/32/13/487473213.db2.gz HCPRWFKFQVIKGE-RYUDHWBXSA-N 1 0 224.348 1.537 10 0 BDAERO CC(C)(C)[C@H](CO)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000393979833 487496174 /nfs/dbraw/zinc/49/61/74/487496174.db2.gz LYBARJDKMIAFIY-WOPDTQHZSA-N 1 0 229.364 1.534 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@H]1CO ZINC000381116472 487497568 /nfs/dbraw/zinc/49/75/68/487497568.db2.gz HIFIWJAWMGIYII-NDBYEHHHSA-N 1 0 227.348 1.240 10 0 BDAERO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000052014995 487499657 /nfs/dbraw/zinc/49/96/57/487499657.db2.gz HLHXMQOCWNDZJA-GHMZBOCLSA-N 1 0 201.310 1.305 10 0 BDAERO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])c(C)s1 ZINC000237696963 487502823 /nfs/dbraw/zinc/50/28/23/487502823.db2.gz QBRSCNOBJHUKOU-JTQLQIEISA-N 1 0 238.356 1.928 10 0 BDAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCC[NH2+]CC1 ZINC000300278695 487507501 /nfs/dbraw/zinc/50/75/01/487507501.db2.gz AYLKVLMLSHEROE-RNJOBUHISA-N 1 0 236.359 1.633 10 0 BDAERO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000381462995 487507568 /nfs/dbraw/zinc/50/75/68/487507568.db2.gz KGMMGEQHLXFOSC-RNJOBUHISA-N 1 0 227.348 1.695 10 0 BDAERO CC1CCC(C[NH2+]CCN2CCOCC2)CC1 ZINC000063145512 487515364 /nfs/dbraw/zinc/51/53/64/487515364.db2.gz PKZUTJVZGVVDQQ-UHFFFAOYSA-N 1 0 240.391 1.735 10 0 BDAERO [NH3+]CC1(CCNc2ccc(F)cn2)CC1 ZINC000395846617 487703071 /nfs/dbraw/zinc/70/30/71/487703071.db2.gz BMHPFBILJZHBNF-UHFFFAOYSA-N 1 0 209.268 1.184 10 0 BDAERO Cc1cc(NCCC2(C[NH3+])CC2)nc(C)n1 ZINC000395919186 487703252 /nfs/dbraw/zinc/70/32/52/487703252.db2.gz WOWYLBXXHUJPNE-UHFFFAOYSA-N 1 0 220.320 1.056 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C)[C@@H](CC)CO1 ZINC000403814987 488139517 /nfs/dbraw/zinc/13/95/17/488139517.db2.gz NFVLTQLKPSTAOL-OUAUKWLOSA-N 1 0 228.336 1.010 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c(O)c1 ZINC000379745985 488149550 /nfs/dbraw/zinc/14/95/50/488149550.db2.gz UQZZNXXWKDQFMG-KOLCDFICSA-N 1 0 234.299 1.262 10 0 BDAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cnccn1)CC2 ZINC000160842170 488172210 /nfs/dbraw/zinc/17/22/10/488172210.db2.gz PPGOMVLQQBLNRE-TZMCWYRMSA-N 1 0 247.342 1.604 10 0 BDAERO CCc1nn(C)cc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000231085569 488182738 /nfs/dbraw/zinc/18/27/38/488182738.db2.gz KCQZKHDNVQPKJT-VIFPVBQESA-N 1 0 238.335 1.294 10 0 BDAERO CCCCNC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000085727379 488202329 /nfs/dbraw/zinc/20/23/29/488202329.db2.gz VEQAOGGZIJRAGL-ZJUUUORDSA-N 1 0 213.325 1.226 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCc2ccccc21 ZINC000054072616 488205302 /nfs/dbraw/zinc/20/53/02/488205302.db2.gz JSZONALFZYAAMY-BXKDBHETSA-N 1 0 218.300 1.398 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)CC2([NH3+])CC2)o1 ZINC000398242045 488215637 /nfs/dbraw/zinc/21/56/37/488215637.db2.gz ZMJDPAAHVHEMIC-QMMMGPOBSA-N 1 0 223.276 1.042 10 0 BDAERO CCc1cnc(CNC(=O)C[C@@H]([NH3+])C(C)C)o1 ZINC000231645278 488217952 /nfs/dbraw/zinc/21/79/52/488217952.db2.gz NGTJRAKOHLWPCS-SNVBAGLBSA-N 1 0 239.319 1.227 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1COC ZINC000683995493 488254088 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582495913 /nfs/dbraw/zinc/49/59/13/582495913.db2.gz XPBRXMFBESXUIQ-SNVBAGLBSA-N 1 0 219.288 1.353 10 0 BDAERO C(C1CC1)[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757125679 582500089 /nfs/dbraw/zinc/50/00/89/582500089.db2.gz FKURTMYFNKIDJS-AWEZNQCLSA-N 1 0 220.360 1.957 10 0 BDAERO Cc1nc([C@H](O)C(F)(F)F)sc1C[NH3+] ZINC000757128403 582503469 /nfs/dbraw/zinc/50/34/69/582503469.db2.gz KRIWXDMSZFNEIV-YFKPBYRVSA-N 1 0 226.223 1.506 10 0 BDAERO C[NH2+]Cc1csc([C@H](O)[C@H]2C[C@@H]2C)n1 ZINC000757130233 582505348 /nfs/dbraw/zinc/50/53/48/582505348.db2.gz OOMXFABDQNHBSB-CNUIFLNQSA-N 1 0 212.318 1.552 10 0 BDAERO Cc1nc([C@@H](O)C(F)(F)F)sc1CC[NH3+] ZINC000757133886 582510179 /nfs/dbraw/zinc/51/01/79/582510179.db2.gz XJFQARRIKVBUSQ-ZCFIWIBFSA-N 1 0 240.250 1.548 10 0 BDAERO CC[C@H](C)[C@@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757134295 582511201 /nfs/dbraw/zinc/51/12/01/582511201.db2.gz YBFXJORDXKLIBI-IMTBSYHQSA-N 1 0 214.334 1.990 10 0 BDAERO CC1(C)CC2(C1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757138663 582518658 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/nfs/dbraw/zinc/75/33/62/582753362.db2.gz PTMRYOHIRCRPJQ-LBPRGKRZSA-N 1 0 228.299 1.870 10 0 BDAERO c1nnn(C2CC[NH2+]CC2)c1-c1ccccc1 ZINC000259016150 582789127 /nfs/dbraw/zinc/78/91/27/582789127.db2.gz YCPAWMVKMSJWRH-UHFFFAOYSA-N 1 0 228.299 1.870 10 0 BDAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1ccccc1 ZINC000725259206 582798795 /nfs/dbraw/zinc/79/87/95/582798795.db2.gz NKAPARFDMJXTHO-UHFFFAOYSA-N 1 0 242.282 1.280 10 0 BDAERO Cc1cc(N)nc(NC[C@H](O)C(C)(C)C)[nH+]1 ZINC000892503014 582899685 /nfs/dbraw/zinc/89/96/85/582899685.db2.gz ZRPWHGBZMMBCFI-QMMMGPOBSA-N 1 0 224.308 1.186 10 0 BDAERO Cn1ncc(Cl)c1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000393798634 582926067 /nfs/dbraw/zinc/92/60/67/582926067.db2.gz LCIRBBXAFQDSGT-RKDXNWHRSA-N 1 0 243.738 1.467 10 0 BDAERO CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000394627048 583004403 /nfs/dbraw/zinc/00/44/03/583004403.db2.gz WZNHJKZXUUHFTG-YPMHNXCESA-N 1 0 237.347 1.857 10 0 BDAERO Cn1cncc1[C@@H]1[NH2+]CCc2sccc21 ZINC000397119665 583096895 /nfs/dbraw/zinc/09/68/95/583096895.db2.gz LWUBQUBAZOHERH-LLVKDONJSA-N 1 0 219.313 1.717 10 0 BDAERO Cn1cncc1[C@H]1[NH2+]CCc2sccc21 ZINC000397119666 583097324 /nfs/dbraw/zinc/09/73/24/583097324.db2.gz LWUBQUBAZOHERH-NSHDSACASA-N 1 0 219.313 1.717 10 0 BDAERO CC[C@@H]1CN(C[C@@H]2CC[NH2+]2)C[C@@H](CC)O1 ZINC000398624602 583156043 /nfs/dbraw/zinc/15/60/43/583156043.db2.gz IKIUAOKHSKXRNC-QJPTWQEYSA-N 1 0 212.337 1.238 10 0 BDAERO CC[C@@H]1CN(C[C@H]2CC[NH2+]2)C[C@H](CC)O1 ZINC000398624604 583156298 /nfs/dbraw/zinc/15/62/98/583156298.db2.gz IKIUAOKHSKXRNC-UTUOFQBUSA-N 1 0 212.337 1.238 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000081941707 583162186 /nfs/dbraw/zinc/16/21/86/583162186.db2.gz GQFKJZDPPNLILE-NXEZZACHSA-N 1 0 233.377 1.717 10 0 BDAERO CC[C@H]1CCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399262394 583172717 /nfs/dbraw/zinc/17/27/17/583172717.db2.gz QKRXYFAJZXSPFR-GXTWGEPZSA-N 1 0 240.391 1.611 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CCC1OCCO1 ZINC000124527800 583923687 /nfs/dbraw/zinc/92/36/87/583923687.db2.gz ZHSWNKBAZTVFAX-LBPRGKRZSA-N 1 0 242.363 1.166 10 0 BDAERO Cc1oc(C)c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000235639468 583975537 /nfs/dbraw/zinc/97/55/37/583975537.db2.gz KNBWLJGTWOBRQP-CPCISQLKSA-N 1 0 236.315 1.624 10 0 BDAERO c1cc2n(n1)[C@@H]([C@@H]1CCC[NH2+]C1)CCN2 ZINC000232461319 585031058 /nfs/dbraw/zinc/03/10/58/585031058.db2.gz KCOYCLOIFJCFHP-NXEZZACHSA-N 1 0 206.293 1.239 10 0 BDAERO CC[NH+]1CCC(Nc2nc3cccnc3[nH]2)CC1 ZINC000757566091 586306368 /nfs/dbraw/zinc/30/63/68/586306368.db2.gz KOXIDWMRZKAFAD-UHFFFAOYSA-N 1 0 245.330 1.854 10 0 BDAERO C[NH2+]Cc1sc([C@H](O)[C@H](C)OC)nc1C ZINC000757129756 586426321 /nfs/dbraw/zinc/42/63/21/586426321.db2.gz NZEBSJCSUKHAAR-IONNQARKSA-N 1 0 230.333 1.239 10 0 BDAERO CC(C)(C)[C@@H]1CCOC2(CC[NH2+]CC2)N1 ZINC000757139711 586427698 /nfs/dbraw/zinc/42/76/98/586427698.db2.gz JJDUQTAUMZMEQS-JTQLQIEISA-N 1 0 212.337 1.491 10 0 BDAERO CC1(C)C[NH2+][C@]2(CCCOC2)O[C@]12CCOC2 ZINC000757144096 586428241 /nfs/dbraw/zinc/42/82/41/586428241.db2.gz NFGQBRKKBGKOIP-QWHCGFSZSA-N 1 0 241.331 1.298 10 0 BDAERO Cc1cc(F)ccc1CN1CC[C@@H]1C[NH3+] ZINC000757146804 586429119 /nfs/dbraw/zinc/42/91/19/586429119.db2.gz RRCBTHKZNNGMRZ-GFCCVEGCSA-N 1 0 208.280 1.667 10 0 BDAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000757150883 586429138 /nfs/dbraw/zinc/42/91/38/586429138.db2.gz JIDJUAVLQWZLPQ-SECBINFHSA-N 1 0 236.381 1.031 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])CS(=O)(=O)N(CC)CC ZINC000757154046 586429268 /nfs/dbraw/zinc/42/92/68/586429268.db2.gz UTOIOGTWIBRYFA-ZJUUUORDSA-N 1 0 236.381 1.031 10 0 BDAERO CC(C)C[C@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757154400 586429914 /nfs/dbraw/zinc/42/99/14/586429914.db2.gz YGIHBMURRXEJID-NSHDSACASA-N 1 0 248.392 1.176 10 0 BDAERO C[NH2+][C@H](CO)CSCc1ccc(Cl)o1 ZINC000757161980 586432473 /nfs/dbraw/zinc/43/24/73/586432473.db2.gz ANSZBUNYMTUHFV-SSDOTTSWSA-N 1 0 235.736 1.747 10 0 BDAERO [NH3+]C[C@H](O)CSCc1ccc(Cl)o1 ZINC000757169603 586432890 /nfs/dbraw/zinc/43/28/90/586432890.db2.gz JMLYPEDYPBPXDJ-LURJTMIESA-N 1 0 221.709 1.486 10 0 BDAERO Cc1cc(F)c2c(c1)[C@H](C[NH3+])CC(=O)N2 ZINC000757175541 586433025 /nfs/dbraw/zinc/43/30/25/586433025.db2.gz IWEXHMQHUANWRE-ZETCQYMHSA-N 1 0 208.236 1.519 10 0 BDAERO C[C@@H]1CCN[C@H](c2cccc(C=O)c2)[C@@H]1[NH3+] ZINC000757207943 586437949 /nfs/dbraw/zinc/43/79/49/586437949.db2.gz BZHQVRBGQQKYKQ-OASPWFOLSA-N 1 0 218.300 1.497 10 0 BDAERO CCc1cncc(S(=O)(=O)CC[C@@H](C)[NH3+])c1 ZINC000757210147 586438351 /nfs/dbraw/zinc/43/83/51/586438351.db2.gz KHUHYCAVUXVFAZ-SECBINFHSA-N 1 0 242.344 1.155 10 0 BDAERO CC(C)(C)n1cc([C@H]2CNC[C@H]([NH3+])C2)cn1 ZINC000757210056 586438362 /nfs/dbraw/zinc/43/83/62/586438362.db2.gz AESNXPVSRNLRSM-MWLCHTKSSA-N 1 0 222.336 1.042 10 0 BDAERO [NH3+]Cc1ccc([C@H]2[NH2+]CCC[C@H]2C(=O)[O-])cc1 ZINC000757210797 586438841 /nfs/dbraw/zinc/43/88/41/586438841.db2.gz HDURMXLRLQQVEF-VXGBXAGGSA-N 1 0 234.299 1.271 10 0 BDAERO [NH3+][C@@H]1CCCN[C@@H]1c1cccc(C=O)c1 ZINC000757213448 586439926 /nfs/dbraw/zinc/43/99/26/586439926.db2.gz KFLYDZYUGRYZNT-VXGBXAGGSA-N 1 0 204.273 1.251 10 0 BDAERO CCOC(=O)[C@H]1CC[C@H](c2cncnc2)[NH2+]C1 ZINC000757216132 586440848 /nfs/dbraw/zinc/44/08/48/586440848.db2.gz PQYYUPKFQGNSKA-GXSJLCMTSA-N 1 0 235.287 1.080 10 0 BDAERO CCOC(=O)[C@H]1CC[C@@H](c2cncnc2)[NH2+]C1 ZINC000757216458 586441430 /nfs/dbraw/zinc/44/14/30/586441430.db2.gz PQYYUPKFQGNSKA-ONGXEEELSA-N 1 0 235.287 1.080 10 0 BDAERO CC(=O)c1ccc([C@@H]2NC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000757217996 586441790 /nfs/dbraw/zinc/44/17/90/586441790.db2.gz UCIJPLQURXPKRG-OWYVNGRQSA-N 1 0 232.327 1.887 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2C[C@H](C(=O)[O-])CC[NH2+]2)c1 ZINC000757219322 586442011 /nfs/dbraw/zinc/44/20/11/586442011.db2.gz WVBVZWCIEBWIGF-NEPJUHHUSA-N 1 0 234.299 1.271 10 0 BDAERO C[C@@H]1CCC[C@]2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000757225312 586442820 /nfs/dbraw/zinc/44/28/20/586442820.db2.gz SRCBYUQYZRSUNW-JFGNBEQYSA-N 1 0 211.305 1.847 10 0 BDAERO Cc1sc([C@H]2C[NH2+]C[C@H]([NH3+])C2)cc1C(=O)[O-] ZINC000757231246 586443047 /nfs/dbraw/zinc/44/30/47/586443047.db2.gz HJESKODEAQBJCP-HTQZYQBOSA-N 1 0 240.328 1.159 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1N ZINC000757239268 586444238 /nfs/dbraw/zinc/44/42/38/586444238.db2.gz TYJODZGDBZHUEM-HJIKLVIJSA-N 1 0 219.332 1.575 10 0 BDAERO C[C@@H]1CCN[C@@H](c2cnn(C(C)(C)C)c2)[C@H]1[NH3+] ZINC000757239594 586444268 /nfs/dbraw/zinc/44/42/68/586444268.db2.gz UYIYLCSXZIXBOM-USWWRNFRSA-N 1 0 236.363 1.636 10 0 BDAERO CCCC(=O)N[C@H]1CCC[N@H+](CCC(C)=O)C1 ZINC000101565520 587761360 /nfs/dbraw/zinc/76/13/60/587761360.db2.gz FEOFLWWEHLXFRX-LBPRGKRZSA-N 1 0 240.347 1.346 10 0 BDAERO c1nc2n(n1)C[C@@H]([NH2+]C1CCCC1)CC2 ZINC000105906505 588229562 /nfs/dbraw/zinc/22/95/62/588229562.db2.gz VGUTYVDHRACRHL-JTQLQIEISA-N 1 0 206.293 1.125 10 0 BDAERO C[C@@H]1C[NH+](CC[C@@H]2CCOC2=O)C[C@@H](C)O1 ZINC000119969705 589353496 /nfs/dbraw/zinc/35/34/96/589353496.db2.gz AOGCZMJRFKYERH-GMTAPVOTSA-N 1 0 227.304 1.049 10 0 BDAERO Cn1ccnc1-c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000122166470 589560292 /nfs/dbraw/zinc/56/02/92/589560292.db2.gz VYMDRMHRXFVALT-VIFPVBQESA-N 1 0 247.302 1.012 10 0 BDAERO C[C@H]1CN(C[C@H](O)c2ccccc2)C[C@@H]1[NH+](C)C ZINC000124744714 590080332 /nfs/dbraw/zinc/08/03/32/590080332.db2.gz RVUSLEONDNFOQH-QEJZJMRPSA-N 1 0 248.370 1.602 10 0 BDAERO C(c1noc([C@H]2CCC[NH2+]C2)n1)[C@@H]1CCCO1 ZINC000021503426 590192034 /nfs/dbraw/zinc/19/20/34/590192034.db2.gz PAENISICLCDPSR-UWVGGRQHSA-N 1 0 237.303 1.258 10 0 BDAERO C[C@@H]([NH3+])CCNc1cncc(Cl)n1 ZINC000126476365 590316941 /nfs/dbraw/zinc/31/69/41/590316941.db2.gz ICCCKYGUFSXPCI-ZCFIWIBFSA-N 1 0 200.673 1.279 10 0 BDAERO Clc1cncc(NCC[C@@H]2CC[NH2+]C2)n1 ZINC000126482775 590319619 /nfs/dbraw/zinc/31/96/19/590319619.db2.gz OGQSBMBHGDZUHX-QMMMGPOBSA-N 1 0 226.711 1.542 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000127823107 590792535 /nfs/dbraw/zinc/79/25/35/590792535.db2.gz UDYHVCIRBBPKEX-YPMHNXCESA-N 1 0 232.327 1.343 10 0 BDAERO CN(CC[NH+](C)C)C(=O)N1CCCCC1 ZINC000128916751 591177503 /nfs/dbraw/zinc/17/75/03/591177503.db2.gz WUAKABBDMUKQMO-UHFFFAOYSA-N 1 0 213.325 1.086 10 0 BDAERO CO[C@@H](c1noc([C@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000131981209 591682199 /nfs/dbraw/zinc/68/21/99/591682199.db2.gz QLSXRCPFTIRTOC-VHSXEESVSA-N 1 0 237.303 1.634 10 0 BDAERO c1ccc2c(c1)OC[C@H]2NC[C@H]1CCC[NH2+]C1 ZINC000132265773 591697220 /nfs/dbraw/zinc/69/72/20/591697220.db2.gz RFQRFQNKMXYSAS-WCQYABFASA-N 1 0 232.327 1.709 10 0 BDAERO Cc1csc(C[NH2+][C@@H]2CCC[C@@H](O)C2)n1 ZINC000132919638 591747475 /nfs/dbraw/zinc/74/74/75/591747475.db2.gz XKICMDPMKCDXDD-NXEZZACHSA-N 1 0 226.345 1.845 10 0 BDAERO C[S@@](=O)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000133775351 591856165 /nfs/dbraw/zinc/85/61/65/591856165.db2.gz NMBYGXJHAZDJGK-CPJFKJOYSA-N 1 0 241.400 1.779 10 0 BDAERO CCN1CCO[C@H](CNc2cccc(F)n2)C1 ZINC000134479754 591929986 /nfs/dbraw/zinc/92/99/86/591929986.db2.gz KXLMWOBAZGKKIZ-SNVBAGLBSA-N 1 0 239.294 1.353 10 0 BDAERO CCc1nc(CC[NH2+][C@@H]2CCCSC2)no1 ZINC000134810654 591951772 /nfs/dbraw/zinc/95/17/72/591951772.db2.gz VHIUSODDPCKHLC-SECBINFHSA-N 1 0 241.360 1.660 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ccncc1 ZINC000136365216 592109203 /nfs/dbraw/zinc/10/92/03/592109203.db2.gz MYRBDJYPYYBUCU-LBPRGKRZSA-N 1 0 235.331 1.114 10 0 BDAERO C=Cn1cc(C[NH2+]C2CC(OC)C2)cn1 ZINC000219396060 592222776 /nfs/dbraw/zinc/22/27/76/592222776.db2.gz KPIHXWZLBYEUNG-UHFFFAOYSA-N 1 0 207.277 1.251 10 0 BDAERO C[C@H](C[NH3+])CNc1cncc(Cl)n1 ZINC000829320285 592707781 /nfs/dbraw/zinc/70/77/81/592707781.db2.gz NRGBRQUOTAPQKB-ZCFIWIBFSA-N 1 0 200.673 1.137 10 0 BDAERO [NH3+]CC[C@@H]1CCN(c2ncnc3ccsc32)C1 ZINC000125463789 634508928 /nfs/dbraw/zinc/50/89/28/634508928.db2.gz NSIIHWHFVBFJRE-SECBINFHSA-N 1 0 248.355 1.866 10 0 BDAERO CN(Cc1ccccc1)C(=O)C1CC([NH3+])C1 ZINC000258793417 635201040 /nfs/dbraw/zinc/20/10/40/635201040.db2.gz RUPHJMIFUWXCKH-UHFFFAOYSA-N 1 0 218.300 1.382 10 0 BDAERO NC1=[NH+]CC[C@@H](c2c(F)cccc2F)N1 ZINC000149857389 634593188 /nfs/dbraw/zinc/59/31/88/634593188.db2.gz SUBUIRRJCNPZCY-QMMMGPOBSA-N 1 0 211.215 1.314 10 0 BDAERO Cc1ccc(F)c(C[NH2+][C@H](C)[C@H](C)O)c1 ZINC000336765975 635283879 /nfs/dbraw/zinc/28/38/79/635283879.db2.gz RPOPQLUDNAOPBJ-ZJUUUORDSA-N 1 0 211.280 1.993 10 0 BDAERO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@H](C)O ZINC000336777673 635287113 /nfs/dbraw/zinc/28/71/13/635287113.db2.gz JCLIEIWVAUNDAI-ZJUUUORDSA-N 1 0 225.336 1.497 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCC(F)(F)F)C[C@H]1C ZINC000094996437 635401507 /nfs/dbraw/zinc/40/15/07/635401507.db2.gz NCZABVXDWJSCQF-SFYZADRCSA-N 1 0 239.237 1.680 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(F)ccc1C ZINC000234541310 635557313 /nfs/dbraw/zinc/55/73/13/635557313.db2.gz FPKOCHOTQJWKTC-VXGBXAGGSA-N 1 0 237.274 1.610 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CO)cc1F ZINC000087284320 631479580 /nfs/dbraw/zinc/47/95/80/631479580.db2.gz MWZAHVFDUNZLKR-KOLCDFICSA-N 1 0 227.279 1.138 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)/C=C\c1ccco1 ZINC000308809611 631523940 /nfs/dbraw/zinc/52/39/40/631523940.db2.gz PREPBIHRJWXYDQ-UDIARPCQSA-N 1 0 208.261 1.017 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(C)ccc1F ZINC000234541177 631572116 /nfs/dbraw/zinc/57/21/16/631572116.db2.gz DEMVDJDTLLAFPZ-GHMZBOCLSA-N 1 0 237.274 1.610 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CC2(O)CCCC2)C[C@@H]1C ZINC000095019657 631584604 /nfs/dbraw/zinc/58/46/04/631584604.db2.gz OCBAYUJGMDCSGU-QWRGUYRKSA-N 1 0 241.331 1.032 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000252216723 635640981 /nfs/dbraw/zinc/64/09/81/635640981.db2.gz ZJQWNSMQZZEAEY-BBBLOLIVSA-N 1 0 221.304 1.735 10 0 BDAERO COC(=O)c1ccc([C@@H](C)[NH2+]C(C)(C)CO)o1 ZINC000234581410 631643553 /nfs/dbraw/zinc/64/35/53/631643553.db2.gz QYMPWXVQAGAAAX-MRVPVSSYSA-N 1 0 241.287 1.488 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H]2CC[C@@H]2C)C1 ZINC000309040366 631823769 /nfs/dbraw/zinc/82/37/69/631823769.db2.gz JJZGQDJTUPCNHA-TUAOUCFPSA-N 1 0 212.337 1.095 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000309103755 631879664 /nfs/dbraw/zinc/87/96/64/631879664.db2.gz GZGDVSBWBVTQHY-OUAUKWLOSA-N 1 0 205.305 1.586 10 0 BDAERO CCCCSCC(=O)NCC[C@@H](C)[NH3+] ZINC000309113771 631887927 /nfs/dbraw/zinc/88/79/27/631887927.db2.gz KOVCLIGBXVPPPQ-SECBINFHSA-N 1 0 218.366 1.373 10 0 BDAERO CS/C=C\C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000308852311 631931560 /nfs/dbraw/zinc/93/15/60/631931560.db2.gz FHXVZKDBSZQIFW-QRJDUPJOSA-N 1 0 214.334 1.120 10 0 BDAERO Clc1cncc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000309300274 631992832 /nfs/dbraw/zinc/99/28/32/631992832.db2.gz SYUNIJGABWXVBF-IUCAKERBSA-N 1 0 238.722 1.318 10 0 BDAERO [NH3+]C1CC(CNC(=O)Cc2cccc(F)c2)C1 ZINC000091524119 632049583 /nfs/dbraw/zinc/04/95/83/632049583.db2.gz HMDIBTYQJDODLZ-UHFFFAOYSA-N 1 0 236.290 1.222 10 0 BDAERO [NH3+]C1CC(CNC(=O)Cc2ccc(F)cc2)C1 ZINC000091524932 632050100 /nfs/dbraw/zinc/05/01/00/632050100.db2.gz KBZVPLQZNZTEKF-UHFFFAOYSA-N 1 0 236.290 1.222 10 0 BDAERO Cc1ccc(C(=O)NCC2CC([NH3+])C2)c(O)c1 ZINC000091524624 632050235 /nfs/dbraw/zinc/05/02/35/632050235.db2.gz OXXZFXOOTMGREE-UHFFFAOYSA-N 1 0 234.299 1.168 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178787492 635702670 /nfs/dbraw/zinc/70/26/70/635702670.db2.gz XIZNWXMGJROVSY-GXTWGEPZSA-N 1 0 246.354 1.733 10 0 BDAERO Cc1ccoc1-c1nc([C@H](C)C[NH3+])no1 ZINC000054158784 635775974 /nfs/dbraw/zinc/77/59/74/635775974.db2.gz PSHVMBOOUSYICG-SSDOTTSWSA-N 1 0 207.233 1.700 10 0 BDAERO C[C@@H](C[NH3+])c1noc(-c2ccccc2F)n1 ZINC000054158737 635776426 /nfs/dbraw/zinc/77/64/26/635776426.db2.gz UODLBCHDDFVZIP-ZETCQYMHSA-N 1 0 221.235 1.938 10 0 BDAERO C(c1noc([C@H]2CCC[NH2+]2)n1)C1CCC1 ZINC000308908664 632396908 /nfs/dbraw/zinc/39/69/08/632396908.db2.gz WAYOVFLLWWHCBO-SECBINFHSA-N 1 0 207.277 1.837 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ncc[nH]1 ZINC000308915994 632428487 /nfs/dbraw/zinc/42/84/87/632428487.db2.gz BENYWOFPRGFVPF-AEJSXWLSSA-N 1 0 209.293 1.364 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000309756797 632665519 /nfs/dbraw/zinc/66/55/19/632665519.db2.gz HTHUYEGNXSYXNT-GRYCIOLGSA-N 1 0 219.332 1.834 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000310113628 632700684 /nfs/dbraw/zinc/70/06/84/632700684.db2.gz QZVIVVDFNRYDEC-YIYPIFLZSA-N 1 0 238.375 1.485 10 0 BDAERO C[N@@H+]1CCC[C@H](OC(=O)/C=C\c2ccco2)C1 ZINC000096499399 632736964 /nfs/dbraw/zinc/73/69/64/632736964.db2.gz WULPVMDCYDKLDW-DGMVEKRQSA-N 1 0 235.283 1.930 10 0 BDAERO Cc1cc(NCCCCCC[NH3+])ncn1 ZINC000235771409 632827467 /nfs/dbraw/zinc/82/74/67/632827467.db2.gz QDTGHPMRNWKJHF-UHFFFAOYSA-N 1 0 208.309 1.716 10 0 BDAERO Cc1nccnc1NCCCCCC[NH3+] ZINC000235817193 632834105 /nfs/dbraw/zinc/83/41/05/632834105.db2.gz FDWIIKOGPBBJOJ-UHFFFAOYSA-N 1 0 208.309 1.716 10 0 BDAERO [NH3+]CCCCCCNc1ncc(F)cn1 ZINC000236168845 632891578 /nfs/dbraw/zinc/89/15/78/632891578.db2.gz UYMVUEDEPCFTOE-UHFFFAOYSA-N 1 0 212.272 1.547 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000309291025 632893262 /nfs/dbraw/zinc/89/32/62/632893262.db2.gz WAYODVCXCNDVIY-QCNOEVLYSA-N 1 0 224.348 1.822 10 0 BDAERO c1cc(Cc2noc([C@H]3CCC[NH2+]3)n2)ccn1 ZINC000053129464 633005800 /nfs/dbraw/zinc/00/58/00/633005800.db2.gz TXVYIRMRGFJPTN-SNVBAGLBSA-N 1 0 230.271 1.480 10 0 BDAERO COC(=O)CC(C)(C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309443665 633077710 /nfs/dbraw/zinc/07/77/10/633077710.db2.gz JFXIJGQFSQNHJI-VIFPVBQESA-N 1 0 231.336 1.325 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000166589587 633116962 /nfs/dbraw/zinc/11/69/62/633116962.db2.gz ALCQUDZOOLISGM-NEPJUHHUSA-N 1 0 237.274 1.692 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2cc(F)ncn2)C1 ZINC000306659389 635970881 /nfs/dbraw/zinc/97/08/81/635970881.db2.gz OWKAHHJYBHLJEC-MRVPVSSYSA-N 1 0 210.256 1.122 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)c1ncc(C)s1 ZINC000394931692 633794195 /nfs/dbraw/zinc/79/41/95/633794195.db2.gz FGXIFZIOOUVUJJ-HTQZYQBOSA-N 1 0 200.307 1.470 10 0 BDAERO CCOc1cccc(C[NH2+][C@H](C)[C@H](C)O)n1 ZINC000309975134 634007811 /nfs/dbraw/zinc/00/78/11/634007811.db2.gz SFDSOIARADXCJR-ZJUUUORDSA-N 1 0 224.304 1.339 10 0 BDAERO C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)[C@@H]1CCCO1 ZINC000035734949 634077078 /nfs/dbraw/zinc/07/70/78/634077078.db2.gz WHXJXFZNJUWXQJ-KGYLQXTDSA-N 1 0 248.326 1.370 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(F)(F)F ZINC000092677455 634220279 /nfs/dbraw/zinc/22/02/79/634220279.db2.gz JQIFHUVJMUKREO-QMMMGPOBSA-N 1 0 238.253 1.491 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194553169 634323624 /nfs/dbraw/zinc/32/36/24/634323624.db2.gz JFKIUALSYFAPRO-JOYOIKCWSA-N 1 0 222.332 1.385 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccc(F)cn3)no2)C1 ZINC000094043848 635171325 /nfs/dbraw/zinc/17/13/25/635171325.db2.gz ZSVCKNHATOPPGK-VXNVDRBHSA-N 1 0 248.261 1.866 10 0 BDAERO COc1ccccc1CN(C)C(=O)C1CC([NH3+])C1 ZINC000258625036 635177211 /nfs/dbraw/zinc/17/72/11/635177211.db2.gz CGHITFBZKPFWEL-UHFFFAOYSA-N 1 0 248.326 1.391 10 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ZINC000712521977 712440242 /nfs/dbraw/zinc/44/02/42/712440242.db2.gz AVDOJSXPOMUKSR-BZPMIXESSA-N 1 0 241.375 1.630 10 0 BDAERO COC[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713004988 712451010 /nfs/dbraw/zinc/45/10/10/712451010.db2.gz RNVJNWYQKCSTCZ-UWVGGRQHSA-N 1 0 230.352 1.147 10 0 BDAERO CCc1ccccc1NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713786352 712472613 /nfs/dbraw/zinc/47/26/13/712472613.db2.gz WPTFRZGAUXWRDL-NWDGAFQWSA-N 1 0 248.326 1.551 10 0 BDAERO COCC1CC([NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000713953511 712474685 /nfs/dbraw/zinc/47/46/85/712474685.db2.gz QYVQPXRRQCYTTI-YWPUVAFDSA-N 1 0 238.375 1.626 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000713963730 712474986 /nfs/dbraw/zinc/47/49/86/712474986.db2.gz ZLVWZORQMOPFNB-KIDURHIOSA-N 1 0 213.321 1.305 10 0 BDAERO COCC1CC([NH2+][C@H](C)C[C@@H]2CCC(=O)N2)C1 ZINC000713962428 712475127 /nfs/dbraw/zinc/47/51/27/712475127.db2.gz WRTIVVINTOEDBG-ZYGVAYEYSA-N 1 0 240.347 1.058 10 0 BDAERO COCC1CC([NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000713983482 712475885 /nfs/dbraw/zinc/47/58/85/712475885.db2.gz BWZYEWSYLHOCMX-AGVGLQIMSA-N 1 0 215.362 1.895 10 0 BDAERO COCC1CC([NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000713982222 712476216 /nfs/dbraw/zinc/47/62/16/712476216.db2.gz FAFGQLYOXRDXBK-VYKQGROPSA-N 1 0 225.332 1.569 10 0 BDAERO COCC1CC([NH2+][C@H](C)C(C)(C)OC)C1 ZINC000714004976 712477091 /nfs/dbraw/zinc/47/70/91/712477091.db2.gz DRZHFXSLKPXEKC-KPPDAEKUSA-N 1 0 215.337 1.815 10 0 BDAERO COCC1CC([NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000713996786 712477117 /nfs/dbraw/zinc/47/71/17/712477117.db2.gz YTNMSRGTSXDTIO-XIVSLSHWSA-N 1 0 249.358 1.812 10 0 BDAERO CCC(CC)c1noc([C@@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714099605 712478031 /nfs/dbraw/zinc/47/80/31/712478031.db2.gz POLHNXAXSWRHBM-VHSXEESVSA-N 1 0 239.319 1.804 10 0 BDAERO Cc1occc1-c1noc([C@@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714061529 712478042 /nfs/dbraw/zinc/47/80/42/712478042.db2.gz CXNUJHMMFIUQNJ-IUCAKERBSA-N 1 0 249.270 1.469 10 0 BDAERO CCC1([NH3+])CCN(c2ccccn2)CC1 ZINC000714752577 712497294 /nfs/dbraw/zinc/49/72/94/712497294.db2.gz XPGPJATXLKIMPJ-UHFFFAOYSA-N 1 0 205.305 1.789 10 0 BDAERO CC(C)(C)Cc1noc([C@@H]2C[C@@H]2C[NH3+])n1 ZINC000714812415 712498337 /nfs/dbraw/zinc/49/83/37/712498337.db2.gz QOZMLVWGIAJXHV-HTQZYQBOSA-N 1 0 209.293 1.720 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cn(CC)nn1 ZINC000714875494 712502112 /nfs/dbraw/zinc/50/21/12/712502112.db2.gz KBALUHMSSPXFKL-MWLCHTKSSA-N 1 0 208.309 1.576 10 0 BDAERO CC(C)(C)c1ccnc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715073481 712506219 /nfs/dbraw/zinc/50/62/19/712506219.db2.gz OXDZDKYVHXKUII-AOOOYVTPSA-N 1 0 234.347 1.923 10 0 BDAERO O=C(NC1CCCC1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715491125 712522927 /nfs/dbraw/zinc/52/29/27/712522927.db2.gz FLKBUNPVMBBRGP-BXUZGUMPSA-N 1 0 236.359 1.825 10 0 BDAERO CCCn1cc([C@H](C)[NH2+]C2CC(CO)C2)nn1 ZINC000715855603 712537475 /nfs/dbraw/zinc/53/74/75/712537475.db2.gz MNVYIDOERLWNSI-WHXUTIOJSA-N 1 0 238.335 1.110 10 0 BDAERO CCCn1cc([C@H](C)[NH2+][C@H](C)[C@H](C)O)nn1 ZINC000715881263 712539138 /nfs/dbraw/zinc/53/91/38/712539138.db2.gz IYXCSJOMHJPEAK-UTLUCORTSA-N 1 0 226.324 1.108 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCCCC2CC2)C1 ZINC000716369424 712556834 /nfs/dbraw/zinc/55/68/34/712556834.db2.gz BRDQPRCNWWGHHS-VXGBXAGGSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCC1CC([NH3+])C1 ZINC000716483892 712565435 /nfs/dbraw/zinc/56/54/35/712565435.db2.gz KVLJFLKARQRVKI-AOODYNMUSA-N 1 0 222.332 1.132 10 0 BDAERO CSC(C)(C)CC[NH2+]C1CC(C(N)=O)C1 ZINC000716686383 712570013 /nfs/dbraw/zinc/57/00/13/712570013.db2.gz XSAPGPPPKKWECI-UHFFFAOYSA-N 1 0 230.377 1.372 10 0 BDAERO C[C@H](Cc1cccs1)[NH2+]C1CC(C(N)=O)C1 ZINC000716706254 712570246 /nfs/dbraw/zinc/57/02/46/712570246.db2.gz NRJHWHFBKFSUOG-XNWIYYODSA-N 1 0 238.356 1.533 10 0 BDAERO NC(=O)C1CC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000716707340 712570362 /nfs/dbraw/zinc/57/03/62/712570362.db2.gz SNMANPMMQIRLGD-GKRLLDONSA-N 1 0 240.372 1.267 10 0 BDAERO C[C@@H](CC1CCCC1)[NH2+]C1CC(C(N)=O)C1 ZINC000716721898 712570665 /nfs/dbraw/zinc/57/06/65/712570665.db2.gz GJSAGWYOYSKEMC-GCVQQVDUSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H]1CC[C@H]([NH2+]C2CC(C(N)=O)C2)CS1 ZINC000716717631 712570780 /nfs/dbraw/zinc/57/07/80/712570780.db2.gz RPOLMDGXRUVRGP-FMLYDFSMSA-N 1 0 228.361 1.124 10 0 BDAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CC1(C)C ZINC000716715564 712570958 /nfs/dbraw/zinc/57/09/58/712570958.db2.gz IBUHIFLIXXVVLK-WFBLGPOFSA-N 1 0 224.348 1.665 10 0 BDAERO COc1ccccc1[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716729907 712571186 /nfs/dbraw/zinc/57/11/86/712571186.db2.gz DAKQZRRXPQVCRV-KPPDAEKUSA-N 1 0 248.326 1.610 10 0 BDAERO NC(=O)C1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC000716733271 712571631 /nfs/dbraw/zinc/57/16/31/712571631.db2.gz ZIGOZZQPVWWYCG-DAXSKMNVSA-N 1 0 230.311 1.553 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716771218 712572965 /nfs/dbraw/zinc/57/29/65/712572965.db2.gz UBBAZHADGJLOAT-XNWIYYODSA-N 1 0 238.356 1.971 10 0 BDAERO COc1ccccc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716783371 712573268 /nfs/dbraw/zinc/57/32/68/712573268.db2.gz RVDVUAOCVSOMON-UHFFFAOYSA-N 1 0 234.299 1.049 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(F)cc1 ZINC000716782310 712573385 /nfs/dbraw/zinc/57/33/85/712573385.db2.gz AZGMWIIKNUBZAC-JNHNWMDNSA-N 1 0 236.290 1.740 10 0 BDAERO CC1(C)CN(c2nccc3cccnc32)CC[NH2+]1 ZINC000716901534 712581130 /nfs/dbraw/zinc/58/11/30/712581130.db2.gz VZMVXOFURXYRNE-UHFFFAOYSA-N 1 0 242.326 1.818 10 0 BDAERO c1cnc2c(c1)ccnc2NCC12CC(C1)C[NH2+]2 ZINC000716922649 712596067 /nfs/dbraw/zinc/59/60/67/712596067.db2.gz PZCWTKLKECAWAF-UHFFFAOYSA-N 1 0 240.310 1.794 10 0 BDAERO C(OC1CC1)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000717736628 712669300 /nfs/dbraw/zinc/66/93/00/712669300.db2.gz PBWLFHFKCMNXBW-SECBINFHSA-N 1 0 237.303 1.291 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000380101290 712685869 /nfs/dbraw/zinc/68/58/69/712685869.db2.gz IURMYNMUGZZHLT-HOAMVYINSA-N 1 0 238.375 1.485 10 0 BDAERO CN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000380195048 712710594 /nfs/dbraw/zinc/71/05/94/712710594.db2.gz QNOVNOMRSKPVIF-WOPDTQHZSA-N 1 0 214.328 1.808 10 0 BDAERO Cc1coc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000718455919 712763263 /nfs/dbraw/zinc/76/32/63/712763263.db2.gz HNALNQWMVQWIKG-DTWKUNHWSA-N 1 0 208.261 1.150 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000718757461 712780355 /nfs/dbraw/zinc/78/03/55/712780355.db2.gz AQRCIRZSSCMDEY-FIQHERPVSA-N 1 0 215.337 1.693 10 0 BDAERO C[C@@H]1CN(c2ccnc3ncccc23)C[C@@H]1[NH3+] ZINC000718928822 712789751 /nfs/dbraw/zinc/78/97/51/712789751.db2.gz DGWBCYXIIMYEHO-KOLCDFICSA-N 1 0 228.299 1.413 10 0 BDAERO C[C@@H]1CN(c2ccnc3ncccc23)C[C@H]1[NH3+] ZINC000718928823 712789896 /nfs/dbraw/zinc/78/98/96/712789896.db2.gz DGWBCYXIIMYEHO-MWLCHTKSSA-N 1 0 228.299 1.413 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1ccnc2ncccc12 ZINC000718981857 712791274 /nfs/dbraw/zinc/79/12/74/712791274.db2.gz NPUINHTVFAYQRT-NSHDSACASA-N 1 0 242.326 1.947 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCN(c2ccnc3ncccc23)C1 ZINC000718982349 712791860 /nfs/dbraw/zinc/79/18/60/712791860.db2.gz PZNSAWZODDGHOI-QWRGUYRKSA-N 1 0 242.326 1.803 10 0 BDAERO C[NH2+]CCCCc1nc([C@H](OC)C2CC2)no1 ZINC000719685144 712821339 /nfs/dbraw/zinc/82/13/39/712821339.db2.gz ANYVLWCSCMWGLP-LLVKDONJSA-N 1 0 239.319 1.709 10 0 BDAERO CCCc1nccnc1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719781733 712824966 /nfs/dbraw/zinc/82/49/66/712824966.db2.gz MWBMVAMFPLARCO-GHMZBOCLSA-N 1 0 234.347 1.934 10 0 BDAERO Cc1conc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000720359623 712833917 /nfs/dbraw/zinc/83/39/17/712833917.db2.gz YBRNRYDTWUIEGS-SNVBAGLBSA-N 1 0 210.277 1.187 10 0 BDAERO Cc1conc1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000720362256 712835687 /nfs/dbraw/zinc/83/56/87/712835687.db2.gz IURGZLBCMOSKOY-NWDGAFQWSA-N 1 0 235.331 1.652 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000720418728 712841451 /nfs/dbraw/zinc/84/14/51/712841451.db2.gz QGUAPPBOTSCDIW-MNOVXSKESA-N 1 0 201.310 1.258 10 0 BDAERO CCC[C@H](C)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000720573726 712852588 /nfs/dbraw/zinc/85/25/88/712852588.db2.gz GHZYSGKVTUZMQH-VHSXEESVSA-N 1 0 210.325 1.902 10 0 BDAERO Cc1cc(CN(C)[C@@H]2CCC[NH2+]CC2)c(C)nn1 ZINC000720583852 712854661 /nfs/dbraw/zinc/85/46/61/712854661.db2.gz RCLYPCADPDUHOQ-CQSZACIVSA-N 1 0 248.374 1.667 10 0 BDAERO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c(C)nn1 ZINC000720604910 712857932 /nfs/dbraw/zinc/85/79/32/712857932.db2.gz GZHCMJPFIIBYNX-ZANVPECISA-N 1 0 235.331 1.296 10 0 BDAERO CC1(C)CN(c2nc3ccccc3[nH]2)C[C@H]1[NH3+] ZINC000720760866 712864314 /nfs/dbraw/zinc/86/43/14/712864314.db2.gz VZOGRSWABDOCFZ-LLVKDONJSA-N 1 0 230.315 1.736 10 0 BDAERO C[NH2+]CCN(c1cc(C)ncn1)C(C)C ZINC000720791632 712866009 /nfs/dbraw/zinc/86/60/09/712866009.db2.gz PVJXMTVTTVHRMY-UHFFFAOYSA-N 1 0 208.309 1.219 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cnn1C ZINC000720866332 712872213 /nfs/dbraw/zinc/87/22/13/712872213.db2.gz RTFOYZNPTAFOBU-KWCYVHTRSA-N 1 0 249.358 1.776 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720891577 712874467 /nfs/dbraw/zinc/87/44/67/712874467.db2.gz PGKZSXKAXBMMTG-ODXJTPSBSA-N 1 0 239.359 1.837 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720891580 712874701 /nfs/dbraw/zinc/87/47/01/712874701.db2.gz PGKZSXKAXBMMTG-QNSTZXKLSA-N 1 0 239.359 1.837 10 0 BDAERO COC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000721127065 712892278 /nfs/dbraw/zinc/89/22/78/712892278.db2.gz XPCJOUXWJNOZCM-UTUOFQBUSA-N 1 0 241.331 1.296 10 0 BDAERO C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000396444091 951477131 /nfs/dbraw/zinc/47/71/31/951477131.db2.gz ARDAYICFZZFLHN-ZJUUUORDSA-N 1 0 228.336 1.027 10 0 BDAERO CC(C)(CC[N@@H+]1CC[C@@](C)(C[NH3+])C1)C(=O)[O-] ZINC000395615310 972811986 /nfs/dbraw/zinc/81/19/86/972811986.db2.gz OAUSKQVWRVFVRV-LBPRGKRZSA-N 1 0 228.336 1.158 10 0 BDAERO C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](C(=O)[O-])C(C)(C)C ZINC000693908787 976659092 /nfs/dbraw/zinc/65/90/92/976659092.db2.gz SCVDISCKTDQGDU-WDEREUQCSA-N 1 0 242.363 1.560 10 0 BDAERO CCCC[C@H]([NH2+]CC[C@H](C)[NH+](C)C)C(=O)[O-] ZINC000700563859 976961294 /nfs/dbraw/zinc/96/12/94/976961294.db2.gz MWXQZWVQTHUNPT-QWRGUYRKSA-N 1 0 230.352 1.560 10 0 BDAERO CCCC[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)C(=O)[O-] ZINC000700563860 976961357 /nfs/dbraw/zinc/96/13/57/976961357.db2.gz MWXQZWVQTHUNPT-WDEREUQCSA-N 1 0 230.352 1.560 10 0 BDAERO CC1([NH3+])CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000707658472 977399753 /nfs/dbraw/zinc/39/97/53/977399753.db2.gz MNBCLKOPFINUCB-UHFFFAOYSA-N 1 0 248.326 1.698 10 0 BDAERO C[C@H](C(=O)[O-])[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714432196 977673659 /nfs/dbraw/zinc/67/36/59/977673659.db2.gz XFXQKKYUBASEEH-SECBINFHSA-N 1 0 228.336 1.156 10 0 BDAERO CC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCSC2 ZINC000685953398 538897727 /nfs/dbraw/zinc/89/77/27/538897727.db2.gz GYASZIBAZWSENH-UWVGGRQHSA-N 1 0 200.351 1.305 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@@H]1[NH2+]C ZINC000685953402 538898115 /nfs/dbraw/zinc/89/81/15/538898115.db2.gz GYRQABIZCYUVHP-GRYCIOLGSA-N 1 0 247.404 1.834 10 0 BDAERO Cc1cc(C)cc(Nc2nc[nH+]c(NN)c2N)c1 ZINC000040682050 177911255 /nfs/dbraw/zinc/91/12/55/177911255.db2.gz CGVMOOCTLHYUDX-UHFFFAOYSA-N 1 0 244.302 1.705 10 0 BDAERO CCCN1CCC(=O)[C@@]12C[NH+]1CCC2CC1 ZINC000685953970 538898714 /nfs/dbraw/zinc/89/87/14/538898714.db2.gz JWHPQYDKZVLEGI-ZDUSSCGKSA-N 1 0 222.332 1.136 10 0 BDAERO Cc1cc(C)cc(OCC[C@H](O)C[NH3+])c1 ZINC000019668554 177912775 /nfs/dbraw/zinc/91/27/75/177912775.db2.gz OKVSCNVNNWUCCG-NSHDSACASA-N 1 0 209.289 1.392 10 0 BDAERO CC(C)[C@@H]1CC[C@H](S(C)(=O)=O)[C@H]([NH3+])C1 ZINC000685954844 538899634 /nfs/dbraw/zinc/89/96/34/538899634.db2.gz QAYJRUWFMFVGTR-BBBLOLIVSA-N 1 0 219.350 1.183 10 0 BDAERO CC(C)[N@@H+]1CCC(=O)[C@@]12CCCOCC2 ZINC000685954789 538900209 /nfs/dbraw/zinc/90/02/09/538900209.db2.gz PCKKEZKBHHUAEW-LBPRGKRZSA-N 1 0 211.305 1.609 10 0 BDAERO CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1S(C)(=O)=O ZINC000685955159 538900592 /nfs/dbraw/zinc/90/05/92/538900592.db2.gz VAICNMSTAYOGKS-BBBLOLIVSA-N 1 0 219.350 1.198 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000685955175 538900905 /nfs/dbraw/zinc/90/09/05/538900905.db2.gz VQOZZSISPZWQMH-AEJSXWLSSA-N 1 0 219.350 1.327 10 0 BDAERO COC[C@H](OCC(F)(F)C[NH3+])C(C)C ZINC000685955413 538901032 /nfs/dbraw/zinc/90/10/32/538901032.db2.gz DFWYVLSRRCUHBE-QMMMGPOBSA-N 1 0 211.252 1.268 10 0 BDAERO CCC[NH+]1CCC2(CC1)C(=O)CCN2CC ZINC000685955450 538901330 /nfs/dbraw/zinc/90/13/30/538901330.db2.gz ZMVIJJOQKMAWCS-UHFFFAOYSA-N 1 0 224.348 1.526 10 0 BDAERO CCOC(=O)C(F)(F)Cc1c[nH]cn1 ZINC000685957862 538905557 /nfs/dbraw/zinc/90/55/57/538905557.db2.gz JIXJVMUDQSURKV-UHFFFAOYSA-N 1 0 204.176 1.151 10 0 BDAERO COCC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685962206 538909285 /nfs/dbraw/zinc/90/92/85/538909285.db2.gz YAYGSNMUUFGCOT-MFKMUULPSA-N 1 0 237.299 1.135 10 0 BDAERO CC(C)C[NH2+]CC[C@@H](CO)[C@H]1CCCOC1 ZINC000685963055 538910099 /nfs/dbraw/zinc/91/00/99/538910099.db2.gz FVIBATJNBLWUJA-STQMWFEESA-N 1 0 229.364 1.657 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CC[C@@H](C[NH3+])C[C@H]1C ZINC000685952738 538896785 /nfs/dbraw/zinc/89/67/85/538896785.db2.gz CRMZJTXMYKTKKJ-MXWKQRLJSA-N 1 0 233.377 1.573 10 0 BDAERO CCS(=O)(=O)[C@H]1CC(C)(C)CC[C@@H]1C[NH3+] ZINC000685953087 538896826 /nfs/dbraw/zinc/89/68/26/538896826.db2.gz FZFKQRHUYPSWND-ZJUUUORDSA-N 1 0 233.377 1.575 10 0 BDAERO Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]C2)cn1 ZINC000062055499 349436533 /nfs/dbraw/zinc/43/65/33/349436533.db2.gz APKGNCNFPLXMNO-GFCCVEGCSA-N 1 0 247.342 1.396 10 0 BDAERO c1nnc([C@@H]2CCC[N@@H+](CC3=CCCOC3)C2)[nH]1 ZINC000408073712 136210026 /nfs/dbraw/zinc/21/00/26/136210026.db2.gz RKUNKWDZZOEFQK-GFCCVEGCSA-N 1 0 248.330 1.331 10 0 BDAERO CCOc1cncc(NC[C@H]([NH3+])C(C)C)n1 ZINC000070580194 398139563 /nfs/dbraw/zinc/13/95/63/398139563.db2.gz BUHXDHHKBXXCQX-VIFPVBQESA-N 1 0 224.308 1.271 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000685965820 538912558 /nfs/dbraw/zinc/91/25/58/538912558.db2.gz UTEJZFGBFHCLAU-RYUDHWBXSA-N 1 0 206.289 1.099 10 0 BDAERO Cc1cc(C)nc(SC[C@@H]2CC[NH2+]C2)n1 ZINC000051891200 177948739 /nfs/dbraw/zinc/94/87/39/177948739.db2.gz ZCWQBFRVEWASDB-SNVBAGLBSA-N 1 0 223.345 1.795 10 0 BDAERO C[C@H](CC1CCC1)[NH2+]C[C@H]1CN(C)CCO1 ZINC000161577284 538917161 /nfs/dbraw/zinc/91/71/61/538917161.db2.gz JZWOUZOCZMLPLH-YPMHNXCESA-N 1 0 226.364 1.485 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000161609156 349485380 /nfs/dbraw/zinc/48/53/80/349485380.db2.gz ODPMAWCEOMJXDP-AWEZNQCLSA-N 1 0 219.328 1.933 10 0 BDAERO CCC(CC)(CO)C[N@H+](C)C1CCN(C)CC1 ZINC000051292347 168326930 /nfs/dbraw/zinc/32/69/30/168326930.db2.gz BSLGAWFVIDVDIE-UHFFFAOYSA-N 1 0 242.407 1.811 10 0 BDAERO CC(C)CCOCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161620907 349477012 /nfs/dbraw/zinc/47/70/12/349477012.db2.gz MZZGSTDGQJQCDR-CYBMUJFWSA-N 1 0 229.364 1.753 10 0 BDAERO CSC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158801522 136214173 /nfs/dbraw/zinc/21/41/73/136214173.db2.gz NVDPQWRYGWJHAA-NXEZZACHSA-N 1 0 244.404 1.619 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1cccc2[nH]ccc21 ZINC000063170307 349500481 /nfs/dbraw/zinc/50/04/81/349500481.db2.gz DSXANZCPBYDWPQ-SECBINFHSA-N 1 0 231.299 1.635 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccsc1 ZINC000063154769 349501009 /nfs/dbraw/zinc/50/10/09/349501009.db2.gz ZFFTYFROZLIHMJ-SNVBAGLBSA-N 1 0 238.356 1.754 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2cccc(N)c2)C1 ZINC000062963819 349503354 /nfs/dbraw/zinc/50/33/54/349503354.db2.gz TXZJKOFMUBCAPX-CYBMUJFWSA-N 1 0 219.332 1.405 10 0 BDAERO Cc1cc(N2CC[C@@H]([NH+](C)C)C2)ccc1N ZINC000062965644 349503570 /nfs/dbraw/zinc/50/35/70/349503570.db2.gz BBRHHIFWASJZMD-GFCCVEGCSA-N 1 0 219.332 1.718 10 0 BDAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccncc1 ZINC000396590365 262806712 /nfs/dbraw/zinc/80/67/12/262806712.db2.gz STTRIUWPSRRYKH-LOWVWBTDSA-N 1 0 219.332 1.873 10 0 BDAERO OCC[N@@H+]1CCC[C@H](c2ccc(F)cc2)C1 ZINC000616617768 398183630 /nfs/dbraw/zinc/18/36/30/398183630.db2.gz JSZAFUOKFLAPKU-LBPRGKRZSA-N 1 0 223.291 1.997 10 0 BDAERO Cc1cc(C[C@H](C)[NH3+])nc(-c2cnccn2)n1 ZINC000054835513 178056263 /nfs/dbraw/zinc/05/62/63/178056263.db2.gz MKLHKTHULYIMMI-QMMMGPOBSA-N 1 0 229.287 1.132 10 0 BDAERO CS(C)(=O)=NC[C@@H]1[NH2+]C[C@H]2CCC[C@H]12 ZINC000307397209 398160833 /nfs/dbraw/zinc/16/08/33/398160833.db2.gz VAOCRLDYNHDIBZ-UTLUCORTSA-N 1 0 216.350 1.102 10 0 BDAERO Cc1cc(Cl)nc(OC[C@H]2CC[NH2+]C2)n1 ZINC000095068952 178071095 /nfs/dbraw/zinc/07/10/95/178071095.db2.gz DUMLIANFWCYCJN-QMMMGPOBSA-N 1 0 227.695 1.427 10 0 BDAERO Cc1cc(Cl)nc(N2CC[C@H](C[NH3+])C2)n1 ZINC000095068906 178071231 /nfs/dbraw/zinc/07/12/31/178071231.db2.gz QCCNOOOVUULSDW-MRVPVSSYSA-N 1 0 226.711 1.223 10 0 BDAERO CC(C)([NH3+])CN1CCSCC1(C)C ZINC000307641018 398186109 /nfs/dbraw/zinc/18/61/09/398186109.db2.gz HZXZLLYNQIYRIS-UHFFFAOYSA-N 1 0 202.367 1.551 10 0 BDAERO [NH3+]C1CCC(C(=O)N2CCC3(CCC3)C2)CC1 ZINC000380542906 398199390 /nfs/dbraw/zinc/19/93/90/398199390.db2.gz UFBIEQZWTCFZNS-UHFFFAOYSA-N 1 0 236.359 1.907 10 0 BDAERO Cc1cc(F)ccc1CC[NH2+]C1COC1 ZINC000087597451 178084266 /nfs/dbraw/zinc/08/42/66/178084266.db2.gz TYDOVASTBVZBBF-UHFFFAOYSA-N 1 0 209.264 1.665 10 0 BDAERO Cc1n[nH]c(C)c1[C@@H]1COCCN1C(C)C ZINC000536959704 398199499 /nfs/dbraw/zinc/19/94/99/398199499.db2.gz RWAVSJMYJRHJNO-NSHDSACASA-N 1 0 223.320 1.808 10 0 BDAERO Cc1cc(F)ccc1C[NH2+]CCN(C)C ZINC000050568985 178087623 /nfs/dbraw/zinc/08/76/23/178087623.db2.gz FITYQGFILHFSHB-UHFFFAOYSA-N 1 0 210.296 1.785 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NCC[C@H]1CCCO1 ZINC000380224468 398191721 /nfs/dbraw/zinc/19/17/21/398191721.db2.gz NOJSMABJKUDBMC-VXGBXAGGSA-N 1 0 240.347 1.204 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC2(CCC2)C1 ZINC000380542503 398199696 /nfs/dbraw/zinc/19/96/96/398199696.db2.gz TZGOOGGCULURSF-NWDGAFQWSA-N 1 0 236.359 1.764 10 0 BDAERO Cc1cc(N(C)[C@@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000095070513 178099983 /nfs/dbraw/zinc/09/99/83/178099983.db2.gz SYSPSLKHAIWHNW-SECBINFHSA-N 1 0 240.738 1.627 10 0 BDAERO CC1(C)C[C@@]2(CC[C@H](C[NH3+])O2)C(C)(C)O1 ZINC000379778348 398196349 /nfs/dbraw/zinc/19/63/49/398196349.db2.gz DYOZVQNCKVQWKH-SKDRFNHKSA-N 1 0 213.321 1.840 10 0 BDAERO CC1(C)C[C@]2(CC[C@H](C[NH3+])O2)C(C)(C)O1 ZINC000379778345 398196554 /nfs/dbraw/zinc/19/65/54/398196554.db2.gz DYOZVQNCKVQWKH-BXKDBHETSA-N 1 0 213.321 1.840 10 0 BDAERO Cc1cc(N)ccc1C(=O)NCC[NH+]1CCCC1 ZINC000054110512 178105398 /nfs/dbraw/zinc/10/53/98/178105398.db2.gz BYZRDJKMLQEYHK-UHFFFAOYSA-N 1 0 247.342 1.403 10 0 BDAERO Cc1cc(N2CCC[C@H]2C[NH3+])nc(Cl)n1 ZINC000095068828 178116805 /nfs/dbraw/zinc/11/68/05/178116805.db2.gz XSEYMAWIJNYVRG-QMMMGPOBSA-N 1 0 226.711 1.366 10 0 BDAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1csc(C)n1 ZINC000309508218 136218997 /nfs/dbraw/zinc/21/89/97/136218997.db2.gz NBILSUKLQPYMAP-KOLCDFICSA-N 1 0 243.351 1.583 10 0 BDAERO CCn1nccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000162685330 538924394 /nfs/dbraw/zinc/92/43/94/538924394.db2.gz NYWQLZCEOBXYFV-ZYHUDNBSSA-N 1 0 223.320 1.296 10 0 BDAERO CCC1(C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1 ZINC000380699495 398204411 /nfs/dbraw/zinc/20/44/11/398204411.db2.gz KQDBQHOLRFXGAC-NSHDSACASA-N 1 0 224.348 1.777 10 0 BDAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1C ZINC000386299413 398205161 /nfs/dbraw/zinc/20/51/61/398205161.db2.gz JYEGZJQYVQDGOC-AVGNSLFASA-N 1 0 226.364 1.316 10 0 BDAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1CCCN1C ZINC000386362434 398205663 /nfs/dbraw/zinc/20/56/63/398205663.db2.gz WOEFBDWENUALIT-RWMBFGLXSA-N 1 0 226.364 1.173 10 0 BDAERO C[C@@H](C[NH2+]C[C@@H]1CN(C)CCO1)C(C)(C)C ZINC000162911727 538925646 /nfs/dbraw/zinc/92/56/46/538925646.db2.gz HUGMCCOOIXVMPY-NWDGAFQWSA-N 1 0 228.380 1.589 10 0 BDAERO CCc1cc(N[C@@H](CC[NH3+])C(F)F)nc(C)n1 ZINC000383456624 398209636 /nfs/dbraw/zinc/20/96/36/398209636.db2.gz NOEAEQFASJRCBX-VIFPVBQESA-N 1 0 244.289 1.742 10 0 BDAERO CC[C@@H]1CN(c2ncc(C)c(C)n2)CC[C@@H]1[NH3+] ZINC000386641207 398214629 /nfs/dbraw/zinc/21/46/29/398214629.db2.gz INKFEEWPHSLEKQ-NEPJUHHUSA-N 1 0 234.347 1.657 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000019506783 178146465 /nfs/dbraw/zinc/14/64/65/178146465.db2.gz QQSLUWRPJPYHTI-VWYCJHECSA-N 1 0 249.314 1.842 10 0 BDAERO [NH3+]C[C@H]1CN(c2ccccc2F)C(=O)O1 ZINC000019669088 538927009 /nfs/dbraw/zinc/92/70/09/538927009.db2.gz WUCGTHVMDSEFIY-ZETCQYMHSA-N 1 0 210.208 1.110 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCCC[NH2+]2)no1 ZINC000019408467 178148149 /nfs/dbraw/zinc/14/81/49/178148149.db2.gz NCLYJEXKMWSBJR-MRVPVSSYSA-N 1 0 209.249 1.064 10 0 BDAERO Cc1cc(NC(=O)[C@H]([NH3+])C(C)(C)C)no1 ZINC000077488022 178148288 /nfs/dbraw/zinc/14/82/88/178148288.db2.gz VJVQZWIAGINYOZ-QMMMGPOBSA-N 1 0 211.265 1.295 10 0 BDAERO Cc1cc2ncnn2c(NCC[NH+]2CCCC2)c1 ZINC000049933866 178161271 /nfs/dbraw/zinc/16/12/71/178161271.db2.gz MJURTSMMANIZHN-UHFFFAOYSA-N 1 0 245.330 1.545 10 0 BDAERO Cc1cc2ncnn2c(NCC[C@H]2CC[NH2+]C2)c1 ZINC000104356283 178162954 /nfs/dbraw/zinc/16/29/54/178162954.db2.gz YFYJICROSNZFNY-LLVKDONJSA-N 1 0 245.330 1.449 10 0 BDAERO CCC[C@@H](C(=O)N(C)C[C@@H]1CCCO1)[NH+](C)C ZINC000161947246 349519863 /nfs/dbraw/zinc/51/98/63/349519863.db2.gz QGRPRGYATNCODX-RYUDHWBXSA-N 1 0 242.363 1.354 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000164000712 538931052 /nfs/dbraw/zinc/93/10/52/538931052.db2.gz WBEUFYCHIUTYBV-VXGBXAGGSA-N 1 0 244.404 1.192 10 0 BDAERO CCOC(=O)N1CCC[C@@H](C[NH3+])CC1 ZINC000382064659 361745486 /nfs/dbraw/zinc/74/54/86/361745486.db2.gz DGYZNCVBZDWFJZ-SECBINFHSA-N 1 0 200.282 1.204 10 0 BDAERO Cc1cc(OC[C@@H]2CC[NH2+]C2)nc(C)n1 ZINC000051889201 178212392 /nfs/dbraw/zinc/21/23/92/178212392.db2.gz IETCBOUCCOPWRE-SNVBAGLBSA-N 1 0 207.277 1.082 10 0 BDAERO Cc1cc(O[C@@H]2C[NH2+]C[C@@H]2O)ccc1C(C)C ZINC000104230958 178213096 /nfs/dbraw/zinc/21/30/96/178213096.db2.gz RBPQGJGNIIQIIN-UONOGXRCSA-N 1 0 235.327 1.830 10 0 BDAERO Cc1cc(Sc2cc(C[NH3+])ccn2)n(C)n1 ZINC000052310418 178219398 /nfs/dbraw/zinc/21/93/98/178219398.db2.gz JZLODZDLIPBJEU-UHFFFAOYSA-N 1 0 234.328 1.733 10 0 BDAERO Cc1cc(S[C@H]2CCC[C@@H]2C[NH3+])n(C)n1 ZINC000052310546 178219760 /nfs/dbraw/zinc/21/97/60/178219760.db2.gz DFXZJXFKXLCTEL-ZJUUUORDSA-N 1 0 225.361 1.948 10 0 BDAERO Cc1cc(Sc2ccnc(C[NH3+])c2)n(C)n1 ZINC000061812388 178219765 /nfs/dbraw/zinc/21/97/65/178219765.db2.gz OTKCBSWQFLFTBZ-UHFFFAOYSA-N 1 0 234.328 1.733 10 0 BDAERO C[C@H](CO)Nc1cc(Cl)ccc1C[NH3+] ZINC000070821536 361774426 /nfs/dbraw/zinc/77/44/26/361774426.db2.gz CUDPJYUFLPVYHE-SSDOTTSWSA-N 1 0 214.696 1.591 10 0 BDAERO CC1(C)CC(C[N@@H+]2CCOC[C@@H]2CO)C1 ZINC000625553672 343988750 /nfs/dbraw/zinc/98/87/50/343988750.db2.gz OOXXZGLHQZMASI-NSHDSACASA-N 1 0 213.321 1.116 10 0 BDAERO Cc1cc([C@@H]([NH3+])CO)ccc1Br ZINC000072198655 178237456 /nfs/dbraw/zinc/23/74/56/178237456.db2.gz PKEVZSCQCTWTLB-VIFPVBQESA-N 1 0 230.105 1.750 10 0 BDAERO Cc1cc([C@H]([NH3+])c2cnccn2)ccc1F ZINC000055222698 178262570 /nfs/dbraw/zinc/26/25/70/178262570.db2.gz GCHXHCMEDCUNFK-LBPRGKRZSA-N 1 0 217.247 1.972 10 0 BDAERO Cc1cc2c(cc1C)[S@](=O)CC[C@H]2[NH3+] ZINC000040975008 178288002 /nfs/dbraw/zinc/28/80/02/178288002.db2.gz CMAJMYNFEVJZJH-YGRLFVJLSA-N 1 0 209.314 1.815 10 0 BDAERO Cc1cc2ccccc2c(=O)n1CC[NH3+] ZINC000072416141 178297321 /nfs/dbraw/zinc/29/73/21/178297321.db2.gz LYVIBSBXSJEOQM-UHFFFAOYSA-N 1 0 202.257 1.269 10 0 BDAERO COC(=O)c1ccc([C@@H]2CCCC[NH2+]2)nc1 ZINC000258971260 349535939 /nfs/dbraw/zinc/53/59/39/349535939.db2.gz UQQQQEVBXOLLQY-JTQLQIEISA-N 1 0 220.272 1.683 10 0 BDAERO Cc1cc2c(n1Cc1nncn1C)CCC[C@@H]2[NH3+] ZINC000050422252 178293177 /nfs/dbraw/zinc/29/31/77/178293177.db2.gz PEEWFRBFKCQXFB-NSHDSACASA-N 1 0 245.330 1.309 10 0 BDAERO Cc1cc2c(n1[C@H](C)C(N)=O)CCC[C@H]2[NH3+] ZINC000041730886 178293465 /nfs/dbraw/zinc/29/34/65/178293465.db2.gz MRXIVALKEGLGLB-PSASIEDQSA-N 1 0 221.304 1.179 10 0 BDAERO Cc1cc2ncn([C@H]3C[NH2+]C[C@@H]3O)c2cc1C ZINC000104253786 178306288 /nfs/dbraw/zinc/30/62/88/178306288.db2.gz HLUYWWGNOZFOCE-STQMWFEESA-N 1 0 231.299 1.158 10 0 BDAERO OC[C@H]1C[N@H+](CC/C=C/c2ccccc2)CCO1 ZINC000323024871 259309687 /nfs/dbraw/zinc/30/96/87/259309687.db2.gz ABQKTLFHIIASSC-SGJXGLNRSA-N 1 0 247.338 1.783 10 0 BDAERO CCC(CC)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000036789244 168367199 /nfs/dbraw/zinc/36/71/99/168367199.db2.gz TYIUWRRAMVRXHG-SNVBAGLBSA-N 1 0 212.337 1.633 10 0 BDAERO Cc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)o1 ZINC000062669936 178322095 /nfs/dbraw/zinc/32/20/95/178322095.db2.gz JSBHDKPKLLATDF-UHFFFAOYSA-N 1 0 232.287 1.388 10 0 BDAERO Cc1ccc(-c2nc(CC[NH3+])cc(=O)[nH]2)cc1 ZINC000058055682 178334355 /nfs/dbraw/zinc/33/43/55/178334355.db2.gz AQDGGTNYYVLETA-UHFFFAOYSA-N 1 0 229.283 1.247 10 0 BDAERO Cc1ccc(-c2nc([C@H](C)C[NH3+])no2)o1 ZINC000054158868 178337666 /nfs/dbraw/zinc/33/76/66/178337666.db2.gz BUNGEUMUPNSROB-ZCFIWIBFSA-N 1 0 207.233 1.700 10 0 BDAERO COC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000383678443 398258613 /nfs/dbraw/zinc/25/86/13/398258613.db2.gz NXVQSEBDJXPOMX-BFHYXJOUSA-N 1 0 241.375 1.896 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@@H](C)C[NH3+])cc1O ZINC000042454982 178378549 /nfs/dbraw/zinc/37/85/49/178378549.db2.gz MCMOTLGRJJYWTK-VIFPVBQESA-N 1 0 236.315 1.367 10 0 BDAERO Cc1ccc(C(=O)N(CC[NH3+])C(C)C)o1 ZINC000041056121 178381963 /nfs/dbraw/zinc/38/19/63/178381963.db2.gz GBLCFIIYINFPNM-UHFFFAOYSA-N 1 0 210.277 1.397 10 0 BDAERO Cc1ccc(C(=O)N(CCC[NH3+])C(C)C)c(C)n1 ZINC000055329933 178382414 /nfs/dbraw/zinc/38/24/14/178382414.db2.gz CBJGTGSRHLJEQO-UHFFFAOYSA-N 1 0 249.358 1.898 10 0 BDAERO Cc1ccc(C(=O)CN2CCC[C@@H]([NH3+])C2)s1 ZINC000050149827 178372709 /nfs/dbraw/zinc/37/27/09/178372709.db2.gz YJJKXBCFNVLWSW-SNVBAGLBSA-N 1 0 238.356 1.662 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)o1 ZINC000335552830 178395864 /nfs/dbraw/zinc/39/58/64/178395864.db2.gz DYXXXRUXDURAHZ-RKDXNWHRSA-N 1 0 208.261 1.150 10 0 BDAERO CCC[C@@H](C[NH3+])[C@@H](O)c1ccns1 ZINC000404450614 538955280 /nfs/dbraw/zinc/95/52/80/538955280.db2.gz QYRZKVBHQVFXDY-IONNQARKSA-N 1 0 200.307 1.552 10 0 BDAERO CC[C@](C)(C[NH3+])[C@@H](O)c1ccns1 ZINC000404459294 538955539 /nfs/dbraw/zinc/95/55/39/538955539.db2.gz YTAFXZFQHQKELU-DTWKUNHWSA-N 1 0 200.307 1.552 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616612917 349603079 /nfs/dbraw/zinc/60/30/79/349603079.db2.gz ZTGAPWWRTAKURW-CYBMUJFWSA-N 1 0 241.338 1.983 10 0 BDAERO CCC(CC)NC(=O)C1CCC([NH3+])CC1 ZINC000037481627 168377001 /nfs/dbraw/zinc/37/70/01/168377001.db2.gz DJGJYVXXMILJLN-UHFFFAOYSA-N 1 0 212.337 1.809 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000381812147 398273331 /nfs/dbraw/zinc/27/33/31/398273331.db2.gz HYAXQLTXHPBIMX-OPRDCNLKSA-N 1 0 210.321 1.289 10 0 BDAERO CSCCCC[NH2+]CC1(O)CCOCC1 ZINC000231728820 342692438 /nfs/dbraw/zinc/69/24/38/342692438.db2.gz WWANFNCTODIVEO-UHFFFAOYSA-N 1 0 233.377 1.261 10 0 BDAERO CSC[C@H](C)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000602590678 349613965 /nfs/dbraw/zinc/61/39/65/349613965.db2.gz DCHWDMDDTWPTSH-LPEHRKFASA-N 1 0 230.377 1.039 10 0 BDAERO CC(C)(C)[NH2+]C[C@H](O)c1cccc(O)c1 ZINC000001742403 342711931 /nfs/dbraw/zinc/71/19/31/342711931.db2.gz FIEHGOMKUQWWMR-NSHDSACASA-N 1 0 209.289 1.814 10 0 BDAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037166347 538962050 /nfs/dbraw/zinc/96/20/50/538962050.db2.gz RMEKLQUFDSZDLH-MDZLAQPJSA-N 1 0 249.358 1.691 10 0 BDAERO CCC(CC)NC(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000051792036 168382418 /nfs/dbraw/zinc/38/24/18/168382418.db2.gz VWHXXTSNMRQPJJ-MWLCHTKSSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H](C(=O)Nc1ncc(Cl)s1)[C@H](C)[NH3+] ZINC000306652283 361863621 /nfs/dbraw/zinc/86/36/21/361863621.db2.gz GKSXULFDWYJQFV-UHNVWZDZSA-N 1 0 233.724 1.718 10 0 BDAERO CCC(CC)NC(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051792037 168384709 /nfs/dbraw/zinc/38/47/09/168384709.db2.gz VWHXXTSNMRQPJJ-ONGXEEELSA-N 1 0 212.337 1.679 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC000381858344 398280517 /nfs/dbraw/zinc/28/05/17/398280517.db2.gz VMXRVZWEWPHKLX-STQMWFEESA-N 1 0 227.348 1.554 10 0 BDAERO Cc1cnc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000246869549 342770779 /nfs/dbraw/zinc/77/07/79/342770779.db2.gz GBGGMAGUZOFQJG-PWSUYJOCSA-N 1 0 235.331 1.652 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2[C@H](C)CCC[C@H]2C)C1 ZINC000040637409 538972254 /nfs/dbraw/zinc/97/22/54/538972254.db2.gz VCBBGSWYWKSJRT-NDBYEHHHSA-N 1 0 226.364 1.626 10 0 BDAERO CC1CCN(C[C@@H]2CSCC[NH2+]2)CC1 ZINC000127036655 342816114 /nfs/dbraw/zinc/81/61/14/342816114.db2.gz BAZBKWVGXLXARA-LLVKDONJSA-N 1 0 214.378 1.423 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000381939143 398288468 /nfs/dbraw/zinc/28/84/68/398288468.db2.gz AMORPJJWBATTOZ-VHSXEESVSA-N 1 0 212.337 1.618 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000378677879 538973273 /nfs/dbraw/zinc/97/32/73/538973273.db2.gz RLAUFLBPXCCDLA-VHSXEESVSA-N 1 0 209.293 1.111 10 0 BDAERO O[C@@H]1COCC[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000624688981 342820482 /nfs/dbraw/zinc/82/04/82/342820482.db2.gz YUBVUFSHLJFFPP-UONOGXRCSA-N 1 0 244.294 1.218 10 0 BDAERO [NH3+][C@H]1CCN(C2CC2)[C@H]1c1cscn1 ZINC000126935882 342806138 /nfs/dbraw/zinc/80/61/38/342806138.db2.gz DFDKHYNCLZMCBG-WCBMZHEXSA-N 1 0 209.318 1.380 10 0 BDAERO CCC[C@@H](C)C(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000380969211 538993998 /nfs/dbraw/zinc/99/39/98/538993998.db2.gz FBHGXNBGPWVSBO-VXGBXAGGSA-N 1 0 226.364 1.929 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)C(C)(C)C ZINC000379955560 538982551 /nfs/dbraw/zinc/98/25/51/538982551.db2.gz VIEOQJKUCFJLMT-ZJUUUORDSA-N 1 0 235.393 1.834 10 0 BDAERO CC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000379965102 538982771 /nfs/dbraw/zinc/98/27/71/538982771.db2.gz YJTCKHLOECSILF-JFGNBEQYSA-N 1 0 212.337 1.631 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C1CC1 ZINC000036785818 398291897 /nfs/dbraw/zinc/29/18/97/398291897.db2.gz WTUOCCGTXVQYAC-ATZCPNFKSA-N 1 0 212.337 1.617 10 0 BDAERO OCC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000379996226 538983356 /nfs/dbraw/zinc/98/33/56/538983356.db2.gz JNVRNJNNQJZDTA-WDEREUQCSA-N 1 0 215.312 1.877 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000380964825 538993879 /nfs/dbraw/zinc/99/38/79/538993879.db2.gz CIKGDTKJUGJGRF-NWDGAFQWSA-N 1 0 226.364 1.866 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000193247347 539003782 /nfs/dbraw/zinc/00/37/82/539003782.db2.gz KPDGKVKQOUGEEM-AAEUAGOBSA-N 1 0 229.364 1.894 10 0 BDAERO CCC(CC)[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000019254980 168399228 /nfs/dbraw/zinc/39/92/28/168399228.db2.gz KCHKBEMSOJMYTG-CQSZACIVSA-N 1 0 241.423 1.776 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCSC2)[C@H](C)C1 ZINC000381251813 538997116 /nfs/dbraw/zinc/99/71/16/538997116.db2.gz PQADREVMRRFFQS-USWWRNFRSA-N 1 0 242.388 1.338 10 0 BDAERO O=c1cc([C@H]2CCC[NH2+]2)nc(C2CC2)[nH]1 ZINC000107241965 539021082 /nfs/dbraw/zinc/02/10/82/539021082.db2.gz QAWHTULPLGQUIB-MRVPVSSYSA-N 1 0 205.261 1.484 10 0 BDAERO CC(C)[C@@H](C)C(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000390474277 539022337 /nfs/dbraw/zinc/02/23/37/539022337.db2.gz IKHDZYNUFZCMAY-VXGBXAGGSA-N 1 0 226.364 1.784 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ncc(C)cn2)C1 ZINC000390654009 539026889 /nfs/dbraw/zinc/02/68/89/539026889.db2.gz QBHUNAGZCKTGEW-MNOVXSKESA-N 1 0 220.320 1.537 10 0 BDAERO C[C@]1([C@H]2CCOC2)[NH2+]CCc2occc21 ZINC000709938922 539027674 /nfs/dbraw/zinc/02/76/74/539027674.db2.gz PEBBNWNPSQQIAF-JOYOIKCWSA-N 1 0 207.273 1.677 10 0 BDAERO CCCC[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000389859899 539018023 /nfs/dbraw/zinc/01/80/23/539018023.db2.gz CTYCRASDXSQPTD-PWSUYJOCSA-N 1 0 212.337 1.633 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1CCOCC1(C)C ZINC000042462147 362001711 /nfs/dbraw/zinc/00/17/11/362001711.db2.gz JCKFVIZVUBFTSX-MRVPVSSYSA-N 1 0 216.350 1.162 10 0 BDAERO C[C@]1(NC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000406098325 342848576 /nfs/dbraw/zinc/84/85/76/342848576.db2.gz GZUUMGFVDWLXIG-ZDUSSCGKSA-N 1 0 215.300 1.722 10 0 BDAERO COCc1nc(C[NH2+]CC(C)(C)OC)cs1 ZINC000164866914 342853756 /nfs/dbraw/zinc/85/37/56/342853756.db2.gz BDSBZBKXIKIHQF-UHFFFAOYSA-N 1 0 244.360 1.804 10 0 BDAERO OC1(c2sccc2Cl)CC[NH2+]CC1 ZINC000229923117 342855412 /nfs/dbraw/zinc/85/54/12/342855412.db2.gz YVIMPFYVWYQITQ-UHFFFAOYSA-N 1 0 217.721 1.973 10 0 BDAERO C[C@H]1C[NH2+]C[C@@](O)(C(F)(F)Br)C1 ZINC000401641026 342865237 /nfs/dbraw/zinc/86/52/37/342865237.db2.gz HQVKRHVIPRXYBV-PHDIDXHHSA-N 1 0 244.079 1.335 10 0 BDAERO [NH3+][C@H]1CSC[C@H]1Cc1nccs1 ZINC000134572824 342869214 /nfs/dbraw/zinc/86/92/14/342869214.db2.gz UBUXAUKSWQXRHF-RQJHMYQMSA-N 1 0 200.332 1.376 10 0 BDAERO C[NH2+][C@H]1CSC[C@@H]1Cc1nc(C)cs1 ZINC000134587180 342871142 /nfs/dbraw/zinc/87/11/42/342871142.db2.gz JWURBJGYLNIZCK-IUCAKERBSA-N 1 0 228.386 1.945 10 0 BDAERO C[NH2+][C@@H]1CSC[C@@H]1CC1CCOCC1 ZINC000134588985 342871496 /nfs/dbraw/zinc/87/14/96/342871496.db2.gz ZTQFUUPQGSXIFK-WDEREUQCSA-N 1 0 215.362 1.754 10 0 BDAERO COC[C@H](C)NC1=[NH+][C@@H](C)C[C@H](C)S1 ZINC000164950470 342860478 /nfs/dbraw/zinc/86/04/78/342860478.db2.gz WADSLHGWFFDWPW-CIUDSAMLSA-N 1 0 216.350 1.881 10 0 BDAERO Clc1csc(NC2CC[NH2+]CC2)n1 ZINC000165285557 342896591 /nfs/dbraw/zinc/89/65/91/342896591.db2.gz DVYFCBQVBFQLPE-UHFFFAOYSA-N 1 0 217.725 1.960 10 0 BDAERO CCOC1CC2(C1)[NH2+]CC[C@@H](C)S2 ZINC000233734405 342879342 /nfs/dbraw/zinc/87/93/42/342879342.db2.gz WGVRKJCLDWKQLL-XNWIYYODSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]1OCC[C@@H]1[N@H+](C)[C@@H]1CCCC(=O)C1 ZINC000134731867 342880021 /nfs/dbraw/zinc/88/00/21/342880021.db2.gz NXLIHPOEHGGNNZ-UMNHJUIQSA-N 1 0 211.305 1.607 10 0 BDAERO CC1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CCC1 ZINC000232845818 342886898 /nfs/dbraw/zinc/88/68/98/342886898.db2.gz CVLOYTYQPWYBSD-NSHDSACASA-N 1 0 224.348 1.683 10 0 BDAERO CCc1ncnc(NCC2CC[NH2+]CC2)c1F ZINC000234187384 342917573 /nfs/dbraw/zinc/91/75/73/342917573.db2.gz DVOOZFKFNSJVLE-UHFFFAOYSA-N 1 0 238.310 1.590 10 0 BDAERO CS[C@H]1C[NH2+]C[C@@H]1N1CCCSCC1 ZINC000134898008 342920615 /nfs/dbraw/zinc/92/06/15/342920615.db2.gz LFBJIDHQKYSHPP-UWVGGRQHSA-N 1 0 232.418 1.129 10 0 BDAERO CC(C)C[C@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038096901 398336048 /nfs/dbraw/zinc/33/60/48/398336048.db2.gz ZMAJQPGSNRPZCP-QWRGUYRKSA-N 1 0 228.336 1.045 10 0 BDAERO CCC[C@@](C)([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038097130 398336198 /nfs/dbraw/zinc/33/61/98/398336198.db2.gz BPYXSUFQJODCLV-CMPLNLGQSA-N 1 0 228.336 1.189 10 0 BDAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037607655 398332455 /nfs/dbraw/zinc/33/24/55/398332455.db2.gz YNMJDDWAOCZMJV-YUMQZZPRSA-N 1 0 242.269 1.879 10 0 BDAERO Cc1ccc(C)c(C(=O)[C@H](C)N2CC[NH2+]CC2)c1 ZINC000021952361 178468046 /nfs/dbraw/zinc/46/80/46/178468046.db2.gz PEYCUWROSYOHSN-ZDUSSCGKSA-N 1 0 246.354 1.780 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000381484289 398344930 /nfs/dbraw/zinc/34/49/30/398344930.db2.gz UPGDCRZAQDHSPZ-QONHTCSSSA-N 1 0 210.321 1.276 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000262835404 534929868 /nfs/dbraw/zinc/92/98/68/534929868.db2.gz WEJAFPRRMUCQKH-IJLUTSLNSA-N 1 0 226.364 1.877 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1c(F)cccc1F ZINC000020577602 349707495 /nfs/dbraw/zinc/70/74/95/349707495.db2.gz HWOGPYPRYHCSRK-QMMMGPOBSA-N 1 0 215.199 1.528 10 0 BDAERO c1ccc(C[NH2+]CCC2OCCO2)cc1 ZINC000036420699 342995002 /nfs/dbraw/zinc/99/50/02/342995002.db2.gz RDVKJAZTOVBREC-UHFFFAOYSA-N 1 0 207.273 1.539 10 0 BDAERO CCC([NH3+])(CC)COc1ccc(C(N)=O)cc1 ZINC000057839903 168416874 /nfs/dbraw/zinc/41/68/74/168416874.db2.gz WBCHDPVBLGZMOE-UHFFFAOYSA-N 1 0 236.315 1.682 10 0 BDAERO CC1(C)SC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000307391106 259338462 /nfs/dbraw/zinc/33/84/62/259338462.db2.gz VIBLMXLWSROYQW-OPRDCNLKSA-N 1 0 215.362 1.774 10 0 BDAERO CC(C)n1nnnc1CN(C)[C@@H]1CCSC1 ZINC000162667989 349773501 /nfs/dbraw/zinc/77/35/01/349773501.db2.gz MYBJNXZGNKYLNX-SECBINFHSA-N 1 0 241.364 1.191 10 0 BDAERO COc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1F ZINC000309842304 259343928 /nfs/dbraw/zinc/34/39/28/259343928.db2.gz DVYDEMXMDNKFRD-GXSJLCMTSA-N 1 0 225.263 1.305 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(O)c1 ZINC000235634153 343054940 /nfs/dbraw/zinc/05/49/40/343054940.db2.gz DQZYYVMUWOMQSX-ONGXEEELSA-N 1 0 234.299 1.120 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H]1[NH3+] ZINC000235692104 343055320 /nfs/dbraw/zinc/05/53/20/343055320.db2.gz ZSPRRTQIGARZOU-CABZTGNLSA-N 1 0 243.310 1.587 10 0 BDAERO Cc1ccc(CC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000235668456 343055466 /nfs/dbraw/zinc/05/54/66/343055466.db2.gz DVOOCBYGMXXWQP-GXTWGEPZSA-N 1 0 246.354 1.652 10 0 BDAERO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)OC(C)(C)C)C1 ZINC000084237668 343074168 /nfs/dbraw/zinc/07/41/68/343074168.db2.gz VZHHTXZFXGAUDW-ZJUUUORDSA-N 1 0 228.336 1.981 10 0 BDAERO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+]C ZINC000048775731 343059121 /nfs/dbraw/zinc/05/91/21/343059121.db2.gz KVBKALUFORQGPE-SECBINFHSA-N 1 0 222.288 1.632 10 0 BDAERO N[C@H](C[NH3+])c1cccc(C(F)(F)F)c1F ZINC000072201025 343069744 /nfs/dbraw/zinc/06/97/44/343069744.db2.gz IHHNLURTBDNCKE-SSDOTTSWSA-N 1 0 222.185 1.803 10 0 BDAERO c1cc(N2CCCC2)nc(C2CC[NH2+]CC2)n1 ZINC000584879929 343080380 /nfs/dbraw/zinc/08/03/80/343080380.db2.gz WFGUZCUVKGFQBA-UHFFFAOYSA-N 1 0 232.331 1.544 10 0 BDAERO CC[C@](O)(C[C@@H](O)C[NH2+]C)C(C)(C)C ZINC000584883013 343085936 /nfs/dbraw/zinc/08/59/36/343085936.db2.gz DSPXOHGARNAUMG-KOLCDFICSA-N 1 0 203.326 1.144 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)C[C@@](C)(O)CC1CC1 ZINC000584883475 343086200 /nfs/dbraw/zinc/08/62/00/343086200.db2.gz PEDZZZZSIDFPAV-RYUDHWBXSA-N 1 0 215.337 1.287 10 0 BDAERO CC[NH2+]C[C@@H](O)C[C@](C)(O)C1CCCCC1 ZINC000584883480 343086323 /nfs/dbraw/zinc/08/63/23/343086323.db2.gz PGILNEANGNCZHI-STQMWFEESA-N 1 0 229.364 1.678 10 0 BDAERO FC1(F)CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000584883367 343086332 /nfs/dbraw/zinc/08/63/32/343086332.db2.gz REGCAGKQFWHDQZ-UHFFFAOYSA-N 1 0 227.258 1.960 10 0 BDAERO [NH3+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000253178997 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/nfs/dbraw/zinc/78/63/61/343786361.db2.gz OEMVBUQHCPUZTA-QWRGUYRKSA-N 1 0 244.298 1.987 10 0 BDAERO [NH3+]CC[C@H](O)c1c(F)cccc1Cl ZINC000082639420 537813922 /nfs/dbraw/zinc/81/39/22/537813922.db2.gz UQYGKDIYAFKHLI-QMMMGPOBSA-N 1 0 203.644 1.861 10 0 BDAERO CC(C)(C)c1cc(N2CC[C@H]([NH3+])C2)n[nH]1 ZINC000129668634 343788109 /nfs/dbraw/zinc/78/81/09/343788109.db2.gz OSIBIOOFZBADFG-QMMMGPOBSA-N 1 0 208.309 1.245 10 0 BDAERO CC[C@H](C(=O)[O-])[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000191428127 343791317 /nfs/dbraw/zinc/79/13/17/343791317.db2.gz QFZZMNVOHQEXAB-GFCCVEGCSA-N 1 0 240.347 1.410 10 0 BDAERO CC(C)(C)S(=O)(=O)CC[C@H]1CC[NH2+]C1 ZINC000215738027 343792670 /nfs/dbraw/zinc/79/26/70/343792670.db2.gz NOFDCWHZUZPKIQ-SECBINFHSA-N 1 0 219.350 1.199 10 0 BDAERO Cn1nccc1[C@H]1C[NH2+]Cc2ccccc21 ZINC000236090512 343795502 /nfs/dbraw/zinc/79/55/02/343795502.db2.gz LYVPSKFDUMFVET-LBPRGKRZSA-N 1 0 213.284 1.655 10 0 BDAERO C[C@H]([NH3+])C(=O)N(C1CC1)C1CCSCC1 ZINC000409427366 343800759 /nfs/dbraw/zinc/80/07/59/343800759.db2.gz FAJSOGMSMXITDF-QMMMGPOBSA-N 1 0 228.361 1.220 10 0 BDAERO [NH3+]Cc1ncn2c1CO[C@H](c1ccsc1)C2 ZINC000409427257 343800765 /nfs/dbraw/zinc/80/07/65/343800765.db2.gz ILACBFVCWVVSNX-NSHDSACASA-N 1 0 235.312 1.675 10 0 BDAERO CN(C(=O)C1CC[NH2+]CC1)C1CCSCC1 ZINC000403799749 343812270 /nfs/dbraw/zinc/81/22/70/343812270.db2.gz YTGHVNSJSYKPCJ-UHFFFAOYSA-N 1 0 242.388 1.340 10 0 BDAERO [NH3+]Cc1nc2cccnc2n1CC1CC1 ZINC000409422321 343813170 /nfs/dbraw/zinc/81/31/70/343813170.db2.gz FCABMZHCZREKOL-UHFFFAOYSA-N 1 0 202.261 1.300 10 0 BDAERO [NH3+]Cc1cn(C/C=C/c2ccccc2)nn1 ZINC000409423065 343814907 /nfs/dbraw/zinc/81/49/07/343814907.db2.gz LDWQKWXPBIEVKN-QPJJXVBHSA-N 1 0 214.272 1.450 10 0 BDAERO CCC[N@@H+]1CCOc2ccc(CO)cc2C1 ZINC000409423348 343815426 /nfs/dbraw/zinc/81/54/26/343815426.db2.gz PXUUSXMQVDNBBG-UHFFFAOYSA-N 1 0 221.300 1.783 10 0 BDAERO COc1ccccc1[C@H]1C[NH2+]C[C@@H]1CF ZINC000409424231 343817219 /nfs/dbraw/zinc/81/72/19/343817219.db2.gz XTGAQCUYTAYKRU-ONGXEEELSA-N 1 0 209.264 1.968 10 0 BDAERO [NH3+]C[C@@H](CC(F)(F)F)C1CCOCC1 ZINC000409425921 343820843 /nfs/dbraw/zinc/82/08/43/343820843.db2.gz OARJBINFTXUFEI-MRVPVSSYSA-N 1 0 211.227 1.940 10 0 BDAERO CCOCC1(C)CCN(CC(=[NH2+])NO)CC1 ZINC000409426293 343822073 /nfs/dbraw/zinc/82/20/73/343822073.db2.gz BXLWWTCQCLBULX-UHFFFAOYSA-N 1 0 229.324 1.081 10 0 BDAERO CCOC[C@@]1(C(F)(F)F)CCN(C(N)=[NH2+])C1 ZINC000409426359 343822387 /nfs/dbraw/zinc/82/23/87/343822387.db2.gz CCGQCFPCSKFFKX-MRVPVSSYSA-N 1 0 239.241 1.171 10 0 BDAERO c1ccc(COC[C@H]2CC[NH2+]CCO2)cc1 ZINC000409431425 343823735 /nfs/dbraw/zinc/82/37/35/343823735.db2.gz JYXLFEXQZKLJEH-CYBMUJFWSA-N 1 0 221.300 1.582 10 0 BDAERO CCNc1cc(OCC[NH3+])nc(C2CC2)n1 ZINC000409429225 343805217 /nfs/dbraw/zinc/80/52/17/343805217.db2.gz GERLRESCXIWPIO-UHFFFAOYSA-N 1 0 222.292 1.123 10 0 BDAERO CO[C@H]1C[NH2+]CC[C@@H]1Cc1cccc(F)c1 ZINC000221730291 346987099 /nfs/dbraw/zinc/98/70/99/346987099.db2.gz UKHPEUGXHWTWKC-YPMHNXCESA-N 1 0 223.291 1.993 10 0 BDAERO [NH3+]CCn1nc(-c2ccccc2)c2c1CCC2 ZINC000409440061 343853972 /nfs/dbraw/zinc/85/39/72/343853972.db2.gz RMQDHSBEWDDBIW-UHFFFAOYSA-N 1 0 227.311 1.998 10 0 BDAERO O=c1[nH]c(C[NH2+]CC2CC2)nc2c1CCCC2 ZINC000208814219 343855334 /nfs/dbraw/zinc/85/53/34/343855334.db2.gz GXRSOQLWQGNBSZ-UHFFFAOYSA-N 1 0 233.315 1.148 10 0 BDAERO CCOC[C@@H]1CN(C(N)=[NH2+])C[C@@H]1C(F)(F)F ZINC000409433003 343828775 /nfs/dbraw/zinc/82/87/75/343828775.db2.gz MBRQQSQCULYXAW-BQBZGAKWSA-N 1 0 239.241 1.027 10 0 BDAERO [NH3+]CCC[N@H+](C1CC1)[C@@H]1CCSC1 ZINC000409433536 343829120 /nfs/dbraw/zinc/82/91/20/343829120.db2.gz MXOHTCBGQSNKLC-SNVBAGLBSA-N 1 0 200.351 1.305 10 0 BDAERO O=C(C1C[NH2+]C1)N1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409433957 343831066 /nfs/dbraw/zinc/83/10/66/343831066.db2.gz ZIWQDSVHPMZSCN-WPRPVWTQSA-N 1 0 244.285 1.100 10 0 BDAERO CCOC[C@H]1CC(F)(F)CN1CCC[NH3+] ZINC000409435159 343832700 /nfs/dbraw/zinc/83/27/00/343832700.db2.gz SQVHAPICMDRGSE-SECBINFHSA-N 1 0 222.279 1.081 10 0 BDAERO COC[C@@]12C[N@H+](CCO)C[C@H]1CCCC2 ZINC000409436099 343837230 /nfs/dbraw/zinc/83/72/30/343837230.db2.gz YCPMDYJOCXTYSM-VXGBXAGGSA-N 1 0 213.321 1.117 10 0 BDAERO CCn1nc2c(c1CC[NH3+])CSCC2 ZINC000409436909 343841208 /nfs/dbraw/zinc/84/12/08/343841208.db2.gz CEXYQRPEFMNZJH-UHFFFAOYSA-N 1 0 211.334 1.194 10 0 BDAERO NC(=[NH2+])Cn1ccn2nc(-c3ccco3)cc12 ZINC000409437198 343842356 /nfs/dbraw/zinc/84/23/56/343842356.db2.gz DFOLYVQWQXNRPT-UHFFFAOYSA-N 1 0 229.243 1.332 10 0 BDAERO c1nn(C[C@@H]2CCC[NH2+]2)cc1-c1cccnc1 ZINC000409437052 343842429 /nfs/dbraw/zinc/84/24/29/343842429.db2.gz DAUSDVSVWVDUMM-ZDUSSCGKSA-N 1 0 228.299 1.697 10 0 BDAERO NC(=[NH2+])Cn1ccn2nc(C3CCCC3)cc12 ZINC000409438686 343844812 /nfs/dbraw/zinc/84/48/12/343844812.db2.gz NLNBVYRAIAFSLT-UHFFFAOYSA-N 1 0 231.303 1.729 10 0 BDAERO C[NH2+]CCc1c[nH]nc1-c1ccccn1 ZINC000409438966 343846127 /nfs/dbraw/zinc/84/61/27/343846127.db2.gz NGGYQKFYMNSOMU-UHFFFAOYSA-N 1 0 202.261 1.234 10 0 BDAERO CCc1[nH]nc(-c2ccncc2)c1CC[NH3+] ZINC000409438852 343846138 /nfs/dbraw/zinc/84/61/38/343846138.db2.gz GDUVNTYXNYIPCD-UHFFFAOYSA-N 1 0 216.288 1.535 10 0 BDAERO C[NH2+][C@@H]1CCC[C@H]1c1noc(-c2cccnc2)n1 ZINC000409439039 343846590 /nfs/dbraw/zinc/84/65/90/343846590.db2.gz FZNAVIAINSBNAH-GHMZBOCLSA-N 1 0 244.298 1.987 10 0 BDAERO Cc1[nH]nc(-c2ccccn2)c1CCC(N)=[NH2+] ZINC000409439552 343848002 /nfs/dbraw/zinc/84/80/02/343848002.db2.gz IXQYXPVRNIUSIS-UHFFFAOYSA-N 1 0 229.287 1.649 10 0 BDAERO [NH3+]CCCn1ccn2nc(C(F)(F)F)cc12 ZINC000409438075 343849849 /nfs/dbraw/zinc/84/98/49/343849849.db2.gz KFCWWAOQAYQQRY-UHFFFAOYSA-N 1 0 232.209 1.503 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1c1noc(-c2ccco2)n1 ZINC000409440236 343851020 /nfs/dbraw/zinc/85/10/20/343851020.db2.gz KDEMVECFULJTCU-HTQZYQBOSA-N 1 0 219.244 1.924 10 0 BDAERO Cc1cc(-c2cccnc2)nn1CC(N)=[NH2+] ZINC000409442267 343857967 /nfs/dbraw/zinc/85/79/67/343857967.db2.gz YHPBLDGYVMFPMZ-UHFFFAOYSA-N 1 0 215.260 1.189 10 0 BDAERO [NH3+]CCc1cn(CCF)nc1C(F)(F)F ZINC000409441448 343859065 /nfs/dbraw/zinc/85/90/65/343859065.db2.gz XXJIUKUBXVETTG-UHFFFAOYSA-N 1 0 225.189 1.373 10 0 BDAERO CN1C(=O)[C@@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000409442604 343860993 /nfs/dbraw/zinc/86/09/93/343860993.db2.gz XXHXHWMTBRSUSL-UWVGGRQHSA-N 1 0 208.236 1.056 10 0 BDAERO CN1C(=O)[C@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000409442603 343861092 /nfs/dbraw/zinc/86/10/92/343861092.db2.gz XXHXHWMTBRSUSL-NXEZZACHSA-N 1 0 208.236 1.056 10 0 BDAERO Cc1cc(C(F)(F)F)nn1C[C@@H]1CCC[NH2+]1 ZINC000409444010 343861812 /nfs/dbraw/zinc/86/18/12/343861812.db2.gz YMKRUZKHNBHIPQ-QMMMGPOBSA-N 1 0 233.237 1.962 10 0 BDAERO C[NH2+]Cc1cc(-c2ccsc2)nn1C ZINC000409443811 343862962 /nfs/dbraw/zinc/86/29/62/343862962.db2.gz UTTNXPUTDHBHPG-UHFFFAOYSA-N 1 0 207.302 1.868 10 0 BDAERO CCn1nc([C@@H]2CCCC[NH2+]2)cc1C(=O)OC ZINC000409442940 343865205 /nfs/dbraw/zinc/86/52/05/343865205.db2.gz DMRZEPVGXSHWDJ-VIFPVBQESA-N 1 0 237.303 1.504 10 0 BDAERO CC(C)c1cc(C(F)(F)F)nn1CC(N)=[NH2+] ZINC000409443014 343865621 /nfs/dbraw/zinc/86/56/21/343865621.db2.gz FNILJBDWZIQOEF-UHFFFAOYSA-N 1 0 234.225 1.961 10 0 BDAERO CCn1nc(C2CC[NH2+]CC2)cc1C(=O)OC ZINC000409443193 343866097 /nfs/dbraw/zinc/86/60/97/343866097.db2.gz IOVUPBJIFASCFC-UHFFFAOYSA-N 1 0 237.303 1.157 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)C1CCC(F)(F)CC1 ZINC000127171184 343886244 /nfs/dbraw/zinc/88/62/44/343886244.db2.gz UEUHUSOYOIVSCQ-CBAPKCEASA-N 1 0 207.264 1.768 10 0 BDAERO CN1CCSC[C@@H]1[C@@H]([NH3+])c1ccsc1 ZINC000234317937 343940335 /nfs/dbraw/zinc/94/03/35/343940335.db2.gz OKTHZQIPGAFPJL-ZJUUUORDSA-N 1 0 228.386 1.795 10 0 BDAERO CN(C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000022213847 343929145 /nfs/dbraw/zinc/92/91/45/343929145.db2.gz IKAASFIGQMGFRL-ZCFIWIBFSA-N 1 0 233.109 1.604 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(O)(C(F)F)CC1 ZINC000335883320 344043401 /nfs/dbraw/zinc/04/34/01/344043401.db2.gz DURYVYCNSRHHJI-VHSXEESVSA-N 1 0 249.301 1.382 10 0 BDAERO C[C@H](C[NH2+]CC1(C)CCC1)N1CCOCC1 ZINC000336755659 537837518 /nfs/dbraw/zinc/83/75/18/537837518.db2.gz XTUAJZOOMGLTGZ-GFCCVEGCSA-N 1 0 226.364 1.487 10 0 BDAERO CCCS(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000092677659 343960836 /nfs/dbraw/zinc/96/08/36/343960836.db2.gz LDNWQHZVWVZREJ-LLVKDONJSA-N 1 0 248.392 1.142 10 0 BDAERO C[NH2+][C@@H](C(N)=O)c1cc(C)c(C)cc1C ZINC000234414704 343964400 /nfs/dbraw/zinc/96/44/00/343964400.db2.gz JQDOUYJHGFDQDZ-LLVKDONJSA-N 1 0 206.289 1.358 10 0 BDAERO CC(C)(CO)C[N@@H+]1CCOC(C)(C)C1 ZINC000051293654 347026839 /nfs/dbraw/zinc/02/68/39/347026839.db2.gz OELJYVOZULIPEF-UHFFFAOYSA-N 1 0 201.310 1.116 10 0 BDAERO C/C=C/C(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616571055 344178444 /nfs/dbraw/zinc/17/84/44/344178444.db2.gz DNROXLXCIHLOLR-RXNUUUNCSA-N 1 0 218.300 1.899 10 0 BDAERO CC(C)=CC(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616569608 344171132 /nfs/dbraw/zinc/17/11/32/344171132.db2.gz AVSGOIGBNAKRIB-QWRGUYRKSA-N 1 0 208.305 1.306 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000082394445 344154808 /nfs/dbraw/zinc/15/48/08/344154808.db2.gz GFYSUNGNLGZOLE-RKDXNWHRSA-N 1 0 212.318 1.536 10 0 BDAERO C/C=C\C(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616571057 344178184 /nfs/dbraw/zinc/17/81/84/344178184.db2.gz DNROXLXCIHLOLR-TZGMSPROSA-N 1 0 218.300 1.899 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634760092 344233572 /nfs/dbraw/zinc/23/35/72/344233572.db2.gz WVTZKWSNPCMLFX-HTAVTVPLSA-N 1 0 238.375 1.927 10 0 BDAERO [NH3+][C@]12CC[C@H]1CN(C(=O)Cc1ccccc1)C2 ZINC000616571982 344182569 /nfs/dbraw/zinc/18/25/69/344182569.db2.gz JHZRVAWKGLIUTH-JSGCOSHPSA-N 1 0 230.311 1.179 10 0 BDAERO CCC(=O)N1CC[C@@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616573260 344186286 /nfs/dbraw/zinc/18/62/86/344186286.db2.gz ZLWAWOFWAKWLJH-WDEREUQCSA-N 1 0 212.337 1.618 10 0 BDAERO Cc1ncc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)cn1 ZINC000634749490 344190052 /nfs/dbraw/zinc/19/00/52/344190052.db2.gz VJKFPQCTXJECJD-GWCFXTLKSA-N 1 0 246.314 1.113 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384860579 344192562 /nfs/dbraw/zinc/19/25/62/344192562.db2.gz DHDSFUMLJBBKPS-FDYHWXHSSA-N 1 0 245.363 1.320 10 0 BDAERO C[C@H]1CCC[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634749749 344193229 /nfs/dbraw/zinc/19/32/29/344193229.db2.gz DQQRAHWRDHUJPX-MNXVOIDGSA-N 1 0 236.359 1.681 10 0 BDAERO C[C@@H]1CCCN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634751169 344201166 /nfs/dbraw/zinc/20/11/66/344201166.db2.gz MEUYOWHLSUGMMZ-MDZLAQPJSA-N 1 0 222.332 1.387 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000054768054 344251451 /nfs/dbraw/zinc/25/14/51/344251451.db2.gz JNRAGBCDYSUWBL-LBPRGKRZSA-N 1 0 220.320 1.051 10 0 BDAERO [NH3+][C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000038136694 344251576 /nfs/dbraw/zinc/25/15/76/344251576.db2.gz VFZHBGRHGFTYGZ-VXGBXAGGSA-N 1 0 207.273 1.319 10 0 BDAERO C[C@](O)(C[NH3+])Cc1cc(F)ccc1Cl ZINC000165989141 344268428 /nfs/dbraw/zinc/26/84/28/344268428.db2.gz FLEAXOGBNJTXGG-SNVBAGLBSA-N 1 0 217.671 1.731 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@H]1CC2CCC1CC2 ZINC000400063101 344270999 /nfs/dbraw/zinc/27/09/99/344270999.db2.gz HYHMXOGSVJXDJR-HBIQZDMRSA-N 1 0 224.348 1.537 10 0 BDAERO CO[C@@H]1CCCC[C@]12[NH2+]CCCS2 ZINC000234831203 344274114 /nfs/dbraw/zinc/27/41/14/344274114.db2.gz YBNDVTBDOYGABO-NXEZZACHSA-N 1 0 201.335 1.998 10 0 BDAERO Cc1cc(-c2ccccc2)nnc1NCC[NH3+] ZINC000027618453 344278071 /nfs/dbraw/zinc/27/80/71/344278071.db2.gz IAMNQWPFFLMKPU-UHFFFAOYSA-N 1 0 228.299 1.823 10 0 BDAERO Cl/C=C/C[NH2+][C@H]1CN2CCC1CC2 ZINC000236015552 344282294 /nfs/dbraw/zinc/28/22/94/344282294.db2.gz JJTBVMIGWGSAPT-DTWDLQQISA-N 1 0 200.713 1.423 10 0 BDAERO O=C(Nc1ccccc1O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770838 344284710 /nfs/dbraw/zinc/28/47/10/344284710.db2.gz YLHFBZYFXZMJRG-HZMBPMFUSA-N 1 0 246.310 1.720 10 0 BDAERO CN(Cc1ccco1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770596 344285053 /nfs/dbraw/zinc/28/50/53/344285053.db2.gz QUTCPMUHYOXEJF-FZMZJTMJSA-N 1 0 248.326 1.628 10 0 BDAERO CN(CCC1CC1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771141 344285431 /nfs/dbraw/zinc/28/54/31/344285431.db2.gz JWGXFOGCMWAQQI-JSGCOSHPSA-N 1 0 236.359 1.635 10 0 BDAERO O=C(N1CC[C@@H]2C[C@@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771969 344287055 /nfs/dbraw/zinc/28/70/55/344287055.db2.gz PUAPMKKNGOZZHM-NMKXLXIOSA-N 1 0 234.343 1.245 10 0 BDAERO CC1(C)CC(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771994 344287528 /nfs/dbraw/zinc/28/75/28/344287528.db2.gz QSEPNFZZYZDMAP-HZMBPMFUSA-N 1 0 236.359 1.681 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1cnc2ccccc2n1 ZINC000385157133 344355642 /nfs/dbraw/zinc/35/56/42/344355642.db2.gz AJBGSCVGYJCGRO-ZJUUUORDSA-N 1 0 228.299 1.556 10 0 BDAERO CCOc1cc(N2C[C@H]([NH3+])C[C@@H]2C)nc(C)n1 ZINC000385158248 344355802 /nfs/dbraw/zinc/35/58/02/344355802.db2.gz ANPARSVENJIRMQ-WCBMZHEXSA-N 1 0 236.319 1.110 10 0 BDAERO Cc1nc2ccccc2nc1N1C[C@@H]([NH3+])C[C@@H]1C ZINC000385170617 344360390 /nfs/dbraw/zinc/36/03/90/344360390.db2.gz FQPYCPROQGPYBM-ONGXEEELSA-N 1 0 242.326 1.864 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1ncc(Cl)cc1F ZINC000385276987 344385724 /nfs/dbraw/zinc/38/57/24/344385724.db2.gz USPHHTSVNPQJCP-XPUUQOCRSA-N 1 0 229.686 1.800 10 0 BDAERO C/C(=C/Cl)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385387631 344407597 /nfs/dbraw/zinc/40/75/97/344407597.db2.gz RGVOELDXJKGCLH-LTAOASPFSA-N 1 0 200.713 1.423 10 0 BDAERO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2O)cs1 ZINC000041010928 344411664 /nfs/dbraw/zinc/41/16/64/344411664.db2.gz XGYABJZLWLJLAA-WDEREUQCSA-N 1 0 226.345 1.845 10 0 BDAERO C[C@@H]1C[C@@H](NC2=[NH+]CCCS2)CO1 ZINC000402174989 344448323 /nfs/dbraw/zinc/44/83/23/344448323.db2.gz WXUGCVVBQNJSSJ-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@H]1C[C@@](O)(Cc2cccs2)CC[NH2+]1 ZINC000107151958 344479740 /nfs/dbraw/zinc/47/97/40/344479740.db2.gz OACQHRALIBSTFI-GXSJLCMTSA-N 1 0 211.330 1.794 10 0 BDAERO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000381314049 344494911 /nfs/dbraw/zinc/49/49/11/344494911.db2.gz MKXMYXDKSUUREY-JTQLQIEISA-N 1 0 238.356 1.928 10 0 BDAERO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1CO 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TVCKUIRPRSAEMK-UONOGXRCSA-N 1 0 234.343 1.089 10 0 BDAERO C[NH+](C)C[C@@H]1CN(Cc2ccccc2)CC[C@H]1O ZINC000248135028 345051963 /nfs/dbraw/zinc/05/19/63/345051963.db2.gz RHNZVCBQHIJIPJ-HUUCEWRRSA-N 1 0 248.370 1.431 10 0 BDAERO NNc1cc(-n2cc(Cl)cn2)cc[nH+]1 ZINC000227683384 345022445 /nfs/dbraw/zinc/02/24/45/345022445.db2.gz QXBKGNHKACXOIE-UHFFFAOYSA-N 1 0 209.640 1.206 10 0 BDAERO [NH3+]C[C@]1([C@@H]2CCSC2)CCC[C@@H]1O ZINC000405464827 345052831 /nfs/dbraw/zinc/05/28/31/345052831.db2.gz JMPBHIRBNJODNZ-UTLUCORTSA-N 1 0 201.335 1.229 10 0 BDAERO C[C@H](c1nccs1)N(C)C[C@H]1CC[NH2+]C1 ZINC000248081894 345035772 /nfs/dbraw/zinc/03/57/72/345035772.db2.gz QIPBCQADTVKWCS-ZJUUUORDSA-N 1 0 225.361 1.745 10 0 BDAERO [NH3+]C1(c2ncc(Br)cc2F)CC1 ZINC000238570313 345080414 /nfs/dbraw/zinc/08/04/14/345080414.db2.gz UFAQZOXRVLGRPR-UHFFFAOYSA-N 1 0 231.068 1.931 10 0 BDAERO Cc1cc(OC(F)(F)F)cnc1C[NH3+] ZINC000238495390 345060168 /nfs/dbraw/zinc/06/01/68/345060168.db2.gz HXBZTJVCYDKWLV-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO Cc1ccc(S(=O)(=O)[C@@H]2CC[NH2+]C2)cc1C ZINC000071549640 178827266 /nfs/dbraw/zinc/82/72/66/178827266.db2.gz CQLZZKTXGGBSHL-GFCCVEGCSA-N 1 0 239.340 1.439 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)O1 ZINC000156539977 345174570 /nfs/dbraw/zinc/17/45/70/345174570.db2.gz ATSYPZNTSSGMSX-IJLUTSLNSA-N 1 0 240.347 1.107 10 0 BDAERO CCc1cn2c([nH+]1)N[C@@H](C)C[C@@H]2C(F)F ZINC000720939984 537892330 /nfs/dbraw/zinc/89/23/30/537892330.db2.gz IKXQUEKTDROZID-POYBYMJQSA-N 1 0 215.247 1.925 10 0 BDAERO C[C@@H]1CN(Cc2c(Cl)cnn2C)C[C@@H]1C[NH3+] ZINC000634998222 345198144 /nfs/dbraw/zinc/19/81/44/345198144.db2.gz CIKBCJCBMIWCPY-BDAKNGLRSA-N 1 0 242.754 1.100 10 0 BDAERO COc1cc(C)nc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634999012 345198950 /nfs/dbraw/zinc/19/89/50/345198950.db2.gz OOKBIERIPDMKPH-ZYHUDNBSSA-N 1 0 249.358 1.425 10 0 BDAERO C[C@@H]1CCN(CC(F)F)CC[C@@H](C)[NH2+]1 ZINC000148040361 345201320 /nfs/dbraw/zinc/20/13/20/345201320.db2.gz VRLXBAMPKJKUDR-RKDXNWHRSA-N 1 0 206.280 1.714 10 0 BDAERO CC(C)Oc1cc(N[C@H](C)C[C@@H](C)[NH3+])ncn1 ZINC000228266380 345314046 /nfs/dbraw/zinc/31/40/46/345314046.db2.gz RXUSRQZUYQIULJ-NXEZZACHSA-N 1 0 238.335 1.802 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccnn1C ZINC000235512627 537895163 /nfs/dbraw/zinc/89/51/63/537895163.db2.gz SYDGEACIRQCKGV-HBNTYKKESA-N 1 0 223.320 1.374 10 0 BDAERO [NH3+]C[C@](O)(C1CCSCC1)C(F)(F)F ZINC000675054450 537895193 /nfs/dbraw/zinc/89/51/93/537895193.db2.gz VENLLPRGOCUEBS-ZETCQYMHSA-N 1 0 229.267 1.382 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)COC(C)(C)C ZINC000158494089 345340074 /nfs/dbraw/zinc/34/00/74/345340074.db2.gz ZDWJPLQRVUVDGQ-NSHDSACASA-N 1 0 242.363 1.212 10 0 BDAERO Cc1ccc([C@@H]([NH3+])CCC(N)=O)cc1C ZINC000037483913 178857801 /nfs/dbraw/zinc/85/78/01/178857801.db2.gz VOBXWEPFGMFAOZ-NSHDSACASA-N 1 0 206.289 1.569 10 0 BDAERO C[C@H](CC1CC1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159580426 345442904 /nfs/dbraw/zinc/44/29/04/345442904.db2.gz LIWSAAZTSMLOGT-MFKMUULPSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H](Cc1ccsc1)NC1=[NH+]CCN1 ZINC000136382543 345509090 /nfs/dbraw/zinc/50/90/90/345509090.db2.gz PPQHFUYNKFGOFW-QMMMGPOBSA-N 1 0 209.318 1.228 10 0 BDAERO Cc1cc(NN)[nH+]nc1-c1cccs1 ZINC000054931303 345564980 /nfs/dbraw/zinc/56/49/80/345564980.db2.gz FYKQIOPWJNFQQY-UHFFFAOYSA-N 1 0 206.274 1.799 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+]C2)o1 ZINC000062113462 178887149 /nfs/dbraw/zinc/88/71/49/178887149.db2.gz GQGAHSATAAKJKY-VHSXEESVSA-N 1 0 222.288 1.375 10 0 BDAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cc[nH]n1)CC2 ZINC000093586124 345662600 /nfs/dbraw/zinc/66/26/00/345662600.db2.gz GFWLFAJSBJBMOV-YPMHNXCESA-N 1 0 235.331 1.537 10 0 BDAERO CCOC(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000088267643 345751700 /nfs/dbraw/zinc/75/17/00/345751700.db2.gz MCSFGXBOTMFJPT-DGCLKSJQSA-N 1 0 246.310 1.271 10 0 BDAERO CC(C)c1nccc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000212411806 345733587 /nfs/dbraw/zinc/73/35/87/345733587.db2.gz SIIFHAFRJZJWLB-SNVBAGLBSA-N 1 0 220.320 1.764 10 0 BDAERO Cc1cnc(NC[C@@H]2CCC[NH2+]C2)nc1C ZINC000212410415 345733675 /nfs/dbraw/zinc/73/36/75/345733675.db2.gz YBJVNBUSPWHYBL-LLVKDONJSA-N 1 0 220.320 1.505 10 0 BDAERO CC(C)(C)OCCCN1CC[NH2+]CC1 ZINC000221303434 345758810 /nfs/dbraw/zinc/75/88/10/345758810.db2.gz QZOIYLJCIJRNLV-UHFFFAOYSA-N 1 0 200.326 1.097 10 0 BDAERO C[C@H](C[NH3+])Nc1nc2ccc(F)cc2n1C ZINC000212503451 345737938 /nfs/dbraw/zinc/73/79/38/345737938.db2.gz MBIQULQGBBLXNR-SSDOTTSWSA-N 1 0 222.267 1.472 10 0 BDAERO COc1ccc2c3c1[C@@](O)(C[NH3+])CC[C@H]3CO2 ZINC000136517170 345814846 /nfs/dbraw/zinc/81/48/46/345814846.db2.gz AMCNPZIROMXQMR-SDBXPKJASA-N 1 0 235.283 1.111 10 0 BDAERO C[NH2+][C@H](CN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000034218822 345819814 /nfs/dbraw/zinc/81/98/14/345819814.db2.gz HNUBUMBIDUBRPU-CYBMUJFWSA-N 1 0 249.314 1.951 10 0 BDAERO O=C(C[NH2+][C@H]1CC[C@H](O)CC1)c1cccs1 ZINC000257353444 345774253 /nfs/dbraw/zinc/77/42/53/345774253.db2.gz RDDFIUVIJAIKNS-MGCOHNPYSA-N 1 0 239.340 1.824 10 0 BDAERO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc[nH]1 ZINC000257353946 345774522 /nfs/dbraw/zinc/77/45/22/345774522.db2.gz UTRSHGDRNPLYBR-DCAQKATOSA-N 1 0 208.305 1.969 10 0 BDAERO C[C@H]1CCc2nc([C@H]3CCC[NH2+]C3)cn2C1 ZINC000258230879 345780560 /nfs/dbraw/zinc/78/05/60/345780560.db2.gz GXITXCLQXGHBAP-QWRGUYRKSA-N 1 0 219.332 1.932 10 0 BDAERO C[C@@H]1CCn2cc([C@H]3CCC[NH2+]C3)nc2C1 ZINC000258172744 345781003 /nfs/dbraw/zinc/78/10/03/345781003.db2.gz DZQRCSTZIUNKGO-MNOVXSKESA-N 1 0 219.332 1.932 10 0 BDAERO C[C@@H]1CCc2nc([C@H]3CCC[NH2+]C3)cn2C1 ZINC000258230875 345781035 /nfs/dbraw/zinc/78/10/35/345781035.db2.gz GXITXCLQXGHBAP-MNOVXSKESA-N 1 0 219.332 1.932 10 0 BDAERO CC(C)[C@H](C)CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262629828 345792501 /nfs/dbraw/zinc/79/25/01/345792501.db2.gz NEPWSPVRCVCOQZ-WOPDTQHZSA-N 1 0 226.364 1.912 10 0 BDAERO [NH3+]CC1([C@@H](O)c2ncc(Cl)s2)CC1 ZINC000306268875 537911634 /nfs/dbraw/zinc/91/16/34/537911634.db2.gz LGUGWMLBKQBVLZ-LURJTMIESA-N 1 0 218.709 1.569 10 0 BDAERO C[C@@H](c1cccc2ncccc21)[C@H](N)C[NH3+] ZINC000141796985 345861738 /nfs/dbraw/zinc/86/17/38/345861738.db2.gz WGOAVGXHEPZJMZ-JOYOIKCWSA-N 1 0 215.300 1.624 10 0 BDAERO [NH3+]C[C@H]1Cc2cc3c(cc2O1)CCCC3 ZINC000034546150 345831497 /nfs/dbraw/zinc/83/14/97/345831497.db2.gz QKASLZYVOLGGKS-GFCCVEGCSA-N 1 0 203.285 1.828 10 0 BDAERO COc1cccc2c1CC[NH2+][C@H]2CN1CCCC1 ZINC000034426612 345832946 /nfs/dbraw/zinc/83/29/46/345832946.db2.gz ZSXWORDDSQLEBA-AWEZNQCLSA-N 1 0 246.354 1.978 10 0 BDAERO Nc1ccc(OCC[NH+]2CCCCC2)cc1C=O ZINC000034607093 345837949 /nfs/dbraw/zinc/83/79/49/345837949.db2.gz FUTDHXKGTZVJLU-UHFFFAOYSA-N 1 0 248.326 1.946 10 0 BDAERO OC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000143703327 345867063 /nfs/dbraw/zinc/86/70/63/345867063.db2.gz YJVRVOBITOITAE-UHFFFAOYSA-N 1 0 209.264 1.955 10 0 BDAERO [NH2+]=C1N[C@@H](COc2cccc(Cl)c2)CO1 ZINC000169698884 345867913 /nfs/dbraw/zinc/86/79/13/345867913.db2.gz CKZPYDQAKLAGKM-QMMMGPOBSA-N 1 0 226.663 1.432 10 0 BDAERO C[C@@H]1CC[NH2+][C@H](CC(=O)[C@H]2CCCO2)C1 ZINC000306723919 537917086 /nfs/dbraw/zinc/91/70/86/537917086.db2.gz HVKJEXCZZUHQIZ-JFGNBEQYSA-N 1 0 211.305 1.513 10 0 BDAERO C[NH+](C)C1CN(c2ccc(C=O)cc2)C1 ZINC000307510987 537923049 /nfs/dbraw/zinc/92/30/49/537923049.db2.gz BYCSYBSEZPKYDJ-UHFFFAOYSA-N 1 0 204.273 1.249 10 0 BDAERO CN(C)c1ccc(-c2cc(N)[nH+]c(N)c2)cc1 ZINC000143732991 345912367 /nfs/dbraw/zinc/91/23/67/345912367.db2.gz MNXVSZCSWVSCMK-UHFFFAOYSA-N 1 0 228.299 1.979 10 0 BDAERO Cc1ccc(Cn2cc(C[NH3+])nn2)c(C)c1 ZINC000083991305 345921282 /nfs/dbraw/zinc/92/12/82/345921282.db2.gz MZGUKEWMGSQNEW-UHFFFAOYSA-N 1 0 216.288 1.402 10 0 BDAERO Cc1nc(N2CCC[C@H](C)C2)cc(N)[nH+]1 ZINC000087805979 345941017 /nfs/dbraw/zinc/94/10/17/345941017.db2.gz CPVBPVBUMHGAHB-QMMMGPOBSA-N 1 0 206.293 1.604 10 0 BDAERO Cc1occc1S[C@@H]1COCC[C@H]1[NH3+] ZINC000235842796 345947340 /nfs/dbraw/zinc/94/73/40/345947340.db2.gz YEUJJEDNIQDWID-PSASIEDQSA-N 1 0 213.302 1.796 10 0 BDAERO C[NH2+][C@H]1CCCN([C@H](C)c2ccc[nH]2)C1 ZINC000095071422 346018857 /nfs/dbraw/zinc/01/88/57/346018857.db2.gz JYNWAUUYSQLSGC-MNOVXSKESA-N 1 0 207.321 1.760 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@H](O)[C@H]1CCCC[NH2+]1 ZINC000076688700 537935636 /nfs/dbraw/zinc/93/56/36/537935636.db2.gz TYYSODOEIAWRCY-NXEZZACHSA-N 1 0 244.335 1.014 10 0 BDAERO CCc1nc(CC[NH2+][C@@H]2C[C@H](C)[C@@H]2C)no1 ZINC000381490333 346039981 /nfs/dbraw/zinc/03/99/81/346039981.db2.gz XHBSNFDVYUIQKC-LPEHRKFASA-N 1 0 223.320 1.809 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C)C1 ZINC000082818580 537940151 /nfs/dbraw/zinc/94/01/51/537940151.db2.gz HKZAMYIVMRLKLQ-NXEZZACHSA-N 1 0 219.350 1.342 10 0 BDAERO CC(C)(C)[NH2+]CC[C@H](CO)[C@@H]1CCOC1 ZINC000685963157 537945984 /nfs/dbraw/zinc/94/59/84/537945984.db2.gz HUPKGCIPEWHZRU-GHMZBOCLSA-N 1 0 215.337 1.410 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)c1ccnn1C1CCC1 ZINC000724489900 537954014 /nfs/dbraw/zinc/95/40/14/537954014.db2.gz GRUDIGCXGLUKLP-GFCCVEGCSA-N 1 0 223.320 1.640 10 0 BDAERO Cc1ncc([C@H]([NH3+])[C@@H]2CCCOC2)s1 ZINC000235958174 346175187 /nfs/dbraw/zinc/17/51/87/346175187.db2.gz YKMZIXHIYBLAPC-PSASIEDQSA-N 1 0 212.318 1.878 10 0 BDAERO O[C@]1(C[C@@H]2CO2)CC[N@H+](Cc2ccccc2)C1 ZINC000669372682 537950385 /nfs/dbraw/zinc/95/03/85/537950385.db2.gz WIBUMQDQPBBTBE-KGLIPLIRSA-N 1 0 233.311 1.412 10 0 BDAERO Cc1c([C@H](C)[NH3+])nnn1-c1cccc(C)c1 ZINC000036916939 179001921 /nfs/dbraw/zinc/00/19/21/179001921.db2.gz GTJRYWPWNALPRO-VIFPVBQESA-N 1 0 216.288 1.904 10 0 BDAERO CC[C@H]([NH3+])[C@H](C)N1CCCO[C@H](C)C1 ZINC000061917077 346180128 /nfs/dbraw/zinc/18/01/28/346180128.db2.gz LUSHDEIRGGAERP-VWYCJHECSA-N 1 0 200.326 1.223 10 0 BDAERO Cc1cccc(C(=O)N(C)C2C[NH2+]C2)c1F ZINC000132088058 179004774 /nfs/dbraw/zinc/00/47/74/179004774.db2.gz YKJLCJYTBSBFDH-UHFFFAOYSA-N 1 0 222.263 1.178 10 0 BDAERO Cc1cccc(C(=O)N(C)[C@@H]2CCC[NH2+]C2)c1O ZINC000037540908 179004912 /nfs/dbraw/zinc/00/49/12/179004912.db2.gz OWWLSROMARIBHQ-LLVKDONJSA-N 1 0 248.326 1.525 10 0 BDAERO [NH3+]C[C@@]1(Cc2cncs2)CCCOC1 ZINC000236285599 346220559 /nfs/dbraw/zinc/22/05/59/346220559.db2.gz VFSMJEVTDSFMDT-JTQLQIEISA-N 1 0 212.318 1.441 10 0 BDAERO [NH3+][C@@H](CC1OCCO1)c1cc(F)cc(F)c1 ZINC000236303176 346225375 /nfs/dbraw/zinc/22/53/75/346225375.db2.gz NZAYABXYCUNWMT-JTQLQIEISA-N 1 0 229.226 1.728 10 0 BDAERO O[C@H](c1occc1Br)[C@H]1CCC[NH2+]1 ZINC000236545630 346248666 /nfs/dbraw/zinc/24/86/66/346248666.db2.gz LFKVGKNYGDOUQU-SFYZADRCSA-N 1 0 246.104 1.828 10 0 BDAERO Cc1cccc(C(=O)NC2CC([NH3+])C2)c1C ZINC000036236994 179014473 /nfs/dbraw/zinc/01/44/73/179014473.db2.gz CAPLJXYANHHDIP-UHFFFAOYSA-N 1 0 218.300 1.523 10 0 BDAERO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)C2)c1N ZINC000042543574 179024446 /nfs/dbraw/zinc/02/44/46/179024446.db2.gz YGUJTUIGFASFNX-JTQLQIEISA-N 1 0 233.315 1.011 10 0 BDAERO CCC[C@H](C[NH3+])C1(O)CC(SC)C1 ZINC000669377761 537966989 /nfs/dbraw/zinc/96/69/89/537966989.db2.gz HLIKQSGKPPCNDS-XNWIYYODSA-N 1 0 203.351 1.618 10 0 BDAERO CC[NH2+][C@H]1CCNC(=O)c2ccccc21 ZINC000669378396 537966230 /nfs/dbraw/zinc/96/62/30/537966230.db2.gz CTAKKZDQFBUQQJ-NSHDSACASA-N 1 0 204.273 1.471 10 0 BDAERO Cc1cccc(CC(=O)N[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000063172210 179052885 /nfs/dbraw/zinc/05/28/85/179052885.db2.gz WZIRZJFTXRNJLH-STQMWFEESA-N 1 0 232.327 1.534 10 0 BDAERO Cc1cccc(CCC(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000334253718 179052947 /nfs/dbraw/zinc/05/29/47/179052947.db2.gz MGCIDQUXAOYBNY-OCCSQVGLSA-N 1 0 246.354 1.876 10 0 BDAERO CC(C)[NH2+]CCN(C)C(=O)[C@H](C)C(C)C ZINC000669378535 537969722 /nfs/dbraw/zinc/96/97/22/537969722.db2.gz FSLHGEDSMPYYEI-LLVKDONJSA-N 1 0 214.353 1.735 10 0 BDAERO Cc1cccc(CC[NH2+]CC(=O)N2CCCC2)c1 ZINC000051670298 179058437 /nfs/dbraw/zinc/05/84/37/179058437.db2.gz JWQMARCODCBJDF-UHFFFAOYSA-N 1 0 246.354 1.750 10 0 BDAERO CCC[C@H](C)C(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669379259 537976626 /nfs/dbraw/zinc/97/66/26/537976626.db2.gz ASPIUKRUWBDNIO-KWQFWETISA-N 1 0 236.306 1.911 10 0 BDAERO CC(C)(C)C(=O)N1CCC[NH2+]CC12CC2 ZINC000725241211 537977604 /nfs/dbraw/zinc/97/76/04/537977604.db2.gz BKRXGCHEFWCOKU-UHFFFAOYSA-N 1 0 210.321 1.387 10 0 BDAERO OCC12CC(C[NH+]3CCCCC3)(C1)OC2 ZINC000669379516 537980146 /nfs/dbraw/zinc/98/01/46/537980146.db2.gz FDVCZICRTFOAJX-UHFFFAOYSA-N 1 0 211.305 1.014 10 0 BDAERO Cc1cccc(CNC2=[NH+]C[C@@H](C)S2)n1 ZINC000051577197 179088320 /nfs/dbraw/zinc/08/83/20/179088320.db2.gz ZPNKNVZSDVHPKN-SECBINFHSA-N 1 0 221.329 1.971 10 0 BDAERO CCC(F)(F)CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000641798255 362739911 /nfs/dbraw/zinc/73/99/11/362739911.db2.gz CWSWNRVGGRGBMS-ZJUUUORDSA-N 1 0 234.290 1.094 10 0 BDAERO OC[C@@H]1CCCN([C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000725241607 537982156 /nfs/dbraw/zinc/98/21/56/537982156.db2.gz JGZIALWMCVGACL-HZSPNIEDSA-N 1 0 238.375 1.318 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241825 537982241 /nfs/dbraw/zinc/98/22/41/537982241.db2.gz RHDKCMZKHJVDRV-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO OC[C@@H]1CCCN([C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000725241608 537981540 /nfs/dbraw/zinc/98/15/40/537981540.db2.gz JGZIALWMCVGACL-MCIONIFRSA-N 1 0 238.375 1.318 10 0 BDAERO CC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105885294 346561949 /nfs/dbraw/zinc/56/19/49/346561949.db2.gz PUGNBXZQBXFPBQ-LBPRGKRZSA-N 1 0 222.336 1.627 10 0 BDAERO Cc1cccc(N(CCC[NH3+])[C@@H](C)C(N)=O)c1 ZINC000036730431 179118909 /nfs/dbraw/zinc/11/89/09/179118909.db2.gz OJIRZMXWFIBGBO-NSHDSACASA-N 1 0 235.331 1.024 10 0 BDAERO Cc1cccc(Cn2cc(C[NH3+])cn2)c1 ZINC000054716760 179109317 /nfs/dbraw/zinc/10/93/17/179109317.db2.gz RJXXFLAUUKKPHT-UHFFFAOYSA-N 1 0 201.273 1.699 10 0 BDAERO [NH2+]=C1NC[C@@H](c2cc(Cl)ccc2F)N1 ZINC000163830779 346579144 /nfs/dbraw/zinc/57/91/44/346579144.db2.gz WBRKGDIQAGYKGB-QMMMGPOBSA-N 1 0 213.643 1.438 10 0 BDAERO [NH2+]=C1NC[C@H](c2cc(Cl)ccc2F)N1 ZINC000163830878 346579318 /nfs/dbraw/zinc/57/93/18/346579318.db2.gz WBRKGDIQAGYKGB-MRVPVSSYSA-N 1 0 213.643 1.438 10 0 BDAERO CSC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000300861906 346599069 /nfs/dbraw/zinc/59/90/69/346599069.db2.gz PHINKBDAWSFUHC-MWLCHTKSSA-N 1 0 242.388 1.196 10 0 BDAERO C[NH+]1CCC(CC(=O)OC(C)(C)C)(ON)CC1 ZINC000675055117 537984688 /nfs/dbraw/zinc/98/46/88/537984688.db2.gz QCYIYRCAHPDJAF-UHFFFAOYSA-N 1 0 244.335 1.073 10 0 BDAERO CCc1nnc(C[NH2+]C2(C3CC3)CC2)n1C ZINC000390516107 259391744 /nfs/dbraw/zinc/39/17/44/259391744.db2.gz CZTKBWMZSGWNJM-UHFFFAOYSA-N 1 0 220.320 1.410 10 0 BDAERO Cc1cccc(NC(=O)CNCCC[NH+](C)C)c1 ZINC000020054172 179128360 /nfs/dbraw/zinc/12/83/60/179128360.db2.gz CBLJKVTWNOGGDF-UHFFFAOYSA-N 1 0 249.358 1.475 10 0 BDAERO CCC(F)(F)CN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000641818449 362770338 /nfs/dbraw/zinc/77/03/38/362770338.db2.gz FLLDCGNPNATVEK-VHSXEESVSA-N 1 0 236.306 1.470 10 0 BDAERO CC(C)(C)c1cn([C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000669380065 537985289 /nfs/dbraw/zinc/98/52/89/537985289.db2.gz HKBSTXZYMGNERP-DTWKUNHWSA-N 1 0 208.309 1.628 10 0 BDAERO Fc1ccc2c(c1)CC[C@@H]2N1CC[NH2+]CC1 ZINC000166528175 346679064 /nfs/dbraw/zinc/67/90/64/346679064.db2.gz FNYPSLRWGOUFSR-ZDUSSCGKSA-N 1 0 220.291 1.718 10 0 BDAERO C[C@@H]1CC[C@@]2(C1)[NH2+]CCc1ncn(C)c12 ZINC000725242722 537985570 /nfs/dbraw/zinc/98/55/70/537985570.db2.gz MUSNDBBYHNIXQJ-SKDRFNHKSA-N 1 0 205.305 1.581 10 0 BDAERO CSC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378667437 346801038 /nfs/dbraw/zinc/80/10/38/346801038.db2.gz HHGOUIUICWRDRY-WHOHXGKFSA-N 1 0 229.389 1.879 10 0 BDAERO Cc1cccc(OC[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000052666881 179170441 /nfs/dbraw/zinc/17/04/41/179170441.db2.gz LRVIMRGBIROCLF-OLZOCXBDSA-N 1 0 221.300 1.880 10 0 BDAERO Cc1cccc(OC[C@@](C)(O)C[NH3+])c1C ZINC000019668029 179171357 /nfs/dbraw/zinc/17/13/57/179171357.db2.gz DHSGGDXLSWSOOG-LBPRGKRZSA-N 1 0 209.289 1.392 10 0 BDAERO Cc1cccc(OCc2noc(CCC[NH3+])n2)c1 ZINC000019786320 179173560 /nfs/dbraw/zinc/17/35/60/179173560.db2.gz ZLTDZDSWXZQPJM-UHFFFAOYSA-N 1 0 247.298 1.848 10 0 BDAERO Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[NH2+]CC2)c1 ZINC000037959079 179178312 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ZINC000396634477 362826281 /nfs/dbraw/zinc/82/62/81/362826281.db2.gz ZAZKAIDGFQMLIV-NEPJUHHUSA-N 1 0 226.364 1.676 10 0 BDAERO Cc1cccc2c1[C@]1(CC[NH2+]C1)C(=O)N2 ZINC000299890227 179225702 /nfs/dbraw/zinc/22/57/02/179225702.db2.gz WDZZCPKGTSEQJC-GFCCVEGCSA-N 1 0 202.257 1.178 10 0 BDAERO Cc1cccc2c1NC(=O)[C@]21CC[NH2+]C1 ZINC000107144450 179219864 /nfs/dbraw/zinc/21/98/64/179219864.db2.gz QIDXNIYJGLUGQP-LBPRGKRZSA-N 1 0 202.257 1.178 10 0 BDAERO Cc1cccc2sc([C@H](O)C[NH3+])nc21 ZINC000082953951 179233904 /nfs/dbraw/zinc/23/39/04/179233904.db2.gz MBWUATAQGXZSML-SSDOTTSWSA-N 1 0 208.286 1.597 10 0 BDAERO Cc1ccccc1-c1n[nH]c(CCC[NH3+])n1 ZINC000072236601 179236806 /nfs/dbraw/zinc/23/68/06/179236806.db2.gz FFISMZJLPNXSTI-UHFFFAOYSA-N 1 0 216.288 1.671 10 0 BDAERO Cc1ccccc1-c1nc(C[C@H](C)[NH3+])no1 ZINC000054161362 179238648 /nfs/dbraw/zinc/23/86/48/179238648.db2.gz PBMXLPWQEHQXEM-VIFPVBQESA-N 1 0 217.272 1.935 10 0 BDAERO Cc1ccccc1-c1nc(C[NH3+])cc(=O)[nH]1 ZINC000058053894 179238422 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348078069 /nfs/dbraw/zinc/07/80/69/348078069.db2.gz IDRJHMSYEGZCOR-SFYZADRCSA-N 1 0 238.253 1.443 10 0 BDAERO Cc1cccnc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000054158491 179356231 /nfs/dbraw/zinc/35/62/31/179356231.db2.gz IKPIEAUAUOFPPR-QMMMGPOBSA-N 1 0 218.260 1.502 10 0 BDAERO Cc1cccnc1-c1ncc(C[NH3+])s1 ZINC000043616970 179356498 /nfs/dbraw/zinc/35/64/98/179356498.db2.gz PAELAWHPZRSTQM-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO Cc1cccnc1-c1nc(C(C)(C)[NH3+])no1 ZINC000051813756 179356595 /nfs/dbraw/zinc/35/65/95/179356595.db2.gz ALIVRJCLUHFBCD-UHFFFAOYSA-N 1 0 218.260 1.634 10 0 BDAERO Cc1ccccc1[C@]1(C)C[C@@]1(C[NH3+])CO ZINC000062670097 179351133 /nfs/dbraw/zinc/35/11/33/179351133.db2.gz NAAJHSALSUKIFS-QWHCGFSZSA-N 1 0 205.301 1.594 10 0 BDAERO CC[C@@H](C)c1nc([C@@H]2CC[NH2+]C2)cc(=O)[nH]1 ZINC000669382224 537999853 /nfs/dbraw/zinc/99/98/53/537999853.db2.gz IYHSJYHORVHJSS-RKDXNWHRSA-N 1 0 221.304 1.773 10 0 BDAERO Cc1cccnc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000294952090 179374332 /nfs/dbraw/zinc/37/43/32/179374332.db2.gz HPTMDACSTOOPQT-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@H]1[NH2+]CCC[C@H]1F ZINC000725244934 538000446 /nfs/dbraw/zinc/00/04/46/538000446.db2.gz BUJUCNKLBVLRPO-BDAKNGLRSA-N 1 0 232.299 1.601 10 0 BDAERO CC(C)[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=S ZINC000251407233 362870676 /nfs/dbraw/zinc/87/06/76/362870676.db2.gz NBGKHWWIKQMBHB-BDAKNGLRSA-N 1 0 200.351 1.781 10 0 BDAERO Cc1cccnc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000071339598 179384931 /nfs/dbraw/zinc/38/49/31/179384931.db2.gz MXIPMEHNYWEHMT-AWEZNQCLSA-N 1 0 231.343 1.574 10 0 BDAERO C[C@H](N)[C@H]1CCCC[N@@H+]1[C@H]1CCSC1 ZINC000251470026 362879186 /nfs/dbraw/zinc/87/91/86/362879186.db2.gz DNTNHNLACRNFEQ-GARJFASQSA-N 1 0 214.378 1.694 10 0 BDAERO C[C@H]1CCN(Cc2cccs2)C[C@H]1[NH3+] ZINC000251675817 362896896 /nfs/dbraw/zinc/89/68/96/362896896.db2.gz LZZFYDANFIDSRD-GXSJLCMTSA-N 1 0 210.346 1.917 10 0 BDAERO CC(C)(O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124709404 187394576 /nfs/dbraw/zinc/39/45/76/187394576.db2.gz VSHJZKWWSAFZHR-XQQFMLRXSA-N 1 0 241.375 1.773 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1[S@](=O)C1CCCC1 ZINC000251534713 362884591 /nfs/dbraw/zinc/88/45/91/362884591.db2.gz XURMYIAIDBSGQK-JTNHKYCSSA-N 1 0 215.362 1.948 10 0 BDAERO C[C@H]([NH3+])C(C)(C)CN1CCOC[C@H]1C ZINC000251544852 362886254 /nfs/dbraw/zinc/88/62/54/362886254.db2.gz AYBBVWBSYAUWMU-ZJUUUORDSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@H](C[NH3+])[S@](=O)[C@H]1CCC[C@@H](C)C1 ZINC000251584811 362888250 /nfs/dbraw/zinc/88/82/50/362888250.db2.gz CCQIHOPTNWVUBQ-DNJQJEMRSA-N 1 0 203.351 1.661 10 0 BDAERO CC(C)(C)c1cc(NN)[nH+]c(N2CCCC2)n1 ZINC000051152875 187395501 /nfs/dbraw/zinc/39/55/01/187395501.db2.gz MRLFJYMRAPDSNX-UHFFFAOYSA-N 1 0 235.335 1.660 10 0 BDAERO CC(C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]CC[C@H]12 ZINC000669382615 538003308 /nfs/dbraw/zinc/00/33/08/538003308.db2.gz CWRMESQWHXKBBY-OUAUKWLOSA-N 1 0 210.321 1.147 10 0 BDAERO CCSC1(C[NH2+]CC(C)(C)O)CC1 ZINC000596045587 348428868 /nfs/dbraw/zinc/42/88/68/348428868.db2.gz KMFTZQGJOYDYPR-UHFFFAOYSA-N 1 0 203.351 1.633 10 0 BDAERO C[C@H]([NH3+])c1cnn(CC2CCOCC2)c1 ZINC000054716955 348479921 /nfs/dbraw/zinc/47/99/21/348479921.db2.gz PPESRHMZXPXXTF-VIFPVBQESA-N 1 0 209.293 1.329 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000669382999 538006838 /nfs/dbraw/zinc/00/68/38/538006838.db2.gz QUZQBSPYZZKOTI-VWYCJHECSA-N 1 0 227.352 1.186 10 0 BDAERO Cc1ccsc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282502184 179550048 /nfs/dbraw/zinc/55/00/48/179550048.db2.gz WSSXIWHRJSPSHD-UWVGGRQHSA-N 1 0 238.356 1.813 10 0 BDAERO Cc1cnc(C)c(O[C@@H]2CCC[NH2+]C2)n1 ZINC000051872505 179581781 /nfs/dbraw/zinc/58/17/81/179581781.db2.gz LORSENDQLVTBKR-SNVBAGLBSA-N 1 0 207.277 1.224 10 0 BDAERO CSC1(C[NH2+]C2CC(CO)C2)CCC1 ZINC000597245170 348688465 /nfs/dbraw/zinc/68/84/65/348688465.db2.gz HXVGHEYRGFSTNP-UHFFFAOYSA-N 1 0 215.362 1.633 10 0 BDAERO Cc1cnc(SCC2CC[NH2+]CC2)nc1 ZINC000043498319 179644336 /nfs/dbraw/zinc/64/43/36/179644336.db2.gz CZJFLBSBRLXCHV-UHFFFAOYSA-N 1 0 223.345 1.877 10 0 BDAERO C[C@H]1CCC[N@@H+]1[C@@]1(CN)CCCSC1 ZINC000216491114 348782013 /nfs/dbraw/zinc/78/20/13/348782013.db2.gz JEUHZEMNUUGWGO-WDEREUQCSA-N 1 0 214.378 1.695 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3CC3)CC[C@H]12 ZINC000669383852 538012929 /nfs/dbraw/zinc/01/29/29/538012929.db2.gz ZCUFYCHLXJLSLK-SDDRHHMPSA-N 1 0 222.332 1.372 10 0 BDAERO COc1cc2c(c(C)c1)NC[C@@]21C[C@H]1[NH3+] ZINC000725247499 538014043 /nfs/dbraw/zinc/01/40/43/538014043.db2.gz OLMYQDOAAVBQNY-PWSUYJOCSA-N 1 0 204.273 1.398 10 0 BDAERO [NH3+][C@@H]1C[C@@]12CNc1cc(Br)ccc12 ZINC000725247705 538014121 /nfs/dbraw/zinc/01/41/21/538014121.db2.gz UXHVNSJAFVDQKV-ZJUUUORDSA-N 1 0 239.116 1.843 10 0 BDAERO CC[C@H]1CNCC[N@@H+]1C[C@H]1CCCS1 ZINC000251833791 362932267 /nfs/dbraw/zinc/93/22/67/362932267.db2.gz QDVXGPPGVPZSSV-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000054076948 348879758 /nfs/dbraw/zinc/87/97/58/348879758.db2.gz NTPAZTNGXWOOHE-MFKMUULPSA-N 1 0 232.327 1.268 10 0 BDAERO CC(C)[C@@H](C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000669384707 538016917 /nfs/dbraw/zinc/01/69/17/538016917.db2.gz BXAPGCWQWJWNSB-OUAUKWLOSA-N 1 0 212.337 1.522 10 0 BDAERO CC[C@@H]1CN(C[C@H]2CCCS2)CC[NH2+]1 ZINC000251845253 362934934 /nfs/dbraw/zinc/93/49/34/362934934.db2.gz REQIWOPKFCMYFR-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO Cc1cnn([C@H](c2ccccn2)[C@H](C)[NH3+])c1 ZINC000043341436 179748277 /nfs/dbraw/zinc/74/82/77/179748277.db2.gz JAIIASZYJBXCCK-JQWIXIFHSA-N 1 0 216.288 1.523 10 0 BDAERO CC(C)(C)O[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000020510930 187418763 /nfs/dbraw/zinc/41/87/63/187418763.db2.gz BRTHSRPEJUQQQP-ZJUUUORDSA-N 1 0 229.320 1.424 10 0 BDAERO CCn1c2ccccc2nc1[C@@H]([NH3+])[C@@H](C)O ZINC000036895928 187422563 /nfs/dbraw/zinc/42/25/63/187422563.db2.gz UFUZIGPEFSDGAM-KCJUWKMLSA-N 1 0 219.288 1.437 10 0 BDAERO C/C=C/C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917088 187425621 /nfs/dbraw/zinc/42/56/21/187425621.db2.gz ZMFJUSSEGSPYBD-HKJRJLCPSA-N 1 0 222.332 1.553 10 0 BDAERO Cc1cnn([C@@H](C[NH3+])c2cccc(F)c2)c1 ZINC000042973207 179745947 /nfs/dbraw/zinc/74/59/47/179745947.db2.gz HPQQZFZFPLBXPE-LBPRGKRZSA-N 1 0 219.263 1.879 10 0 BDAERO C[C@H](C(=O)N1CC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC000616573523 349071566 /nfs/dbraw/zinc/07/15/66/349071566.db2.gz ZEXMSBKZCBTCHL-LLVKDONJSA-N 1 0 238.375 1.881 10 0 BDAERO [NH3+]CCc1nc(CC(F)(F)F)cs1 ZINC000616573856 349073338 /nfs/dbraw/zinc/07/33/38/349073338.db2.gz VANMUKPTOWZIPW-UHFFFAOYSA-N 1 0 210.224 1.749 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616571784 349060438 /nfs/dbraw/zinc/06/04/38/349060438.db2.gz NFXWJTZKIVFNKD-SDDRHHMPSA-N 1 0 224.348 1.776 10 0 BDAERO CC[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000616577663 349117205 /nfs/dbraw/zinc/11/72/05/349117205.db2.gz KBZAJSAHHYDXSW-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO CCC(=O)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941264 349124435 /nfs/dbraw/zinc/12/44/35/349124435.db2.gz HERLIVALGHSWTC-LLVKDONJSA-N 1 0 210.321 1.136 10 0 BDAERO CC(=O)[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941275 349124537 /nfs/dbraw/zinc/12/45/37/349124537.db2.gz FLPVHCOWLFFYDQ-CMPLNLGQSA-N 1 0 210.321 1.134 10 0 BDAERO CC(C)(C)[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000616579459 349162605 /nfs/dbraw/zinc/16/26/05/349162605.db2.gz UDFYENLKFDNLER-MNOVXSKESA-N 1 0 228.405 1.954 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C)O2)C1 ZINC000251825721 349192685 /nfs/dbraw/zinc/19/26/85/349192685.db2.gz NCFMNVPNYQUASC-SRVKXCTJSA-N 1 0 240.347 1.012 10 0 BDAERO COC(=O)CCN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250435352 349171267 /nfs/dbraw/zinc/17/12/67/349171267.db2.gz WJKOJTPFKTYONB-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000251675306 349173292 /nfs/dbraw/zinc/17/32/92/349173292.db2.gz AGMKTRYGIJAXGK-UKKRHICBSA-N 1 0 212.337 1.535 10 0 BDAERO Cn1c(C(F)F)nc2c1[C@@H]([NH3+])CCC2 ZINC000725253303 538036225 /nfs/dbraw/zinc/03/62/25/538036225.db2.gz BTAJZEWMXSLPFT-YFKPBYRVSA-N 1 0 201.220 1.694 10 0 BDAERO Cc1cc(C(F)F)nc(C[C@@H](C)[NH3+])n1 ZINC000616580617 349258229 /nfs/dbraw/zinc/25/82/29/349258229.db2.gz ZGRILKPZZCVELT-RXMQYKEDSA-N 1 0 201.220 1.612 10 0 BDAERO O=C1Nc2ccc(Cl)cc2[C@]12CC[NH2+]C2 ZINC000211564420 349274625 /nfs/dbraw/zinc/27/46/25/349274625.db2.gz QYYAWJGNECCZOS-LLVKDONJSA-N 1 0 222.675 1.523 10 0 BDAERO Cc1ncc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)o1 ZINC000628303558 349277341 /nfs/dbraw/zinc/27/73/41/349277341.db2.gz ATQXGCMRHBZSEO-WPRPVWTQSA-N 1 0 210.277 1.186 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000211673025 349278962 /nfs/dbraw/zinc/27/89/62/349278962.db2.gz KJUJFXNZAAIFQZ-NXEZZACHSA-N 1 0 228.336 1.899 10 0 BDAERO CCn1nc(CC[NH3+])nc1-c1cccc(OC)c1 ZINC000049455086 187435585 /nfs/dbraw/zinc/43/55/85/187435585.db2.gz IWNCNBADPPRYOG-UHFFFAOYSA-N 1 0 246.314 1.475 10 0 BDAERO c1cc([C@H]2NCCc3ccccc32)on1 ZINC000616586494 349397187 /nfs/dbraw/zinc/39/71/87/349397187.db2.gz SUHGTBOCIKLHBY-LBPRGKRZSA-N 1 0 200.241 1.910 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccnn1[C@@H](C)CC ZINC000725253704 538040023 /nfs/dbraw/zinc/04/00/23/538040023.db2.gz VXOMTQUZTUVRDM-ONGXEEELSA-N 1 0 211.309 1.497 10 0 BDAERO Cc1nc(C)c([C@H](O)[C@@H]2CCC[NH2+]2)s1 ZINC000083161932 179920612 /nfs/dbraw/zinc/92/06/12/179920612.db2.gz ISVKOGXOKFOIAH-DTWKUNHWSA-N 1 0 212.318 1.545 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000070532774 350017072 /nfs/dbraw/zinc/01/70/72/350017072.db2.gz MPNSXELMPUMNGK-IJLUTSLNSA-N 1 0 226.364 1.927 10 0 BDAERO COC1(C[C@@H]([NH3+])c2ncccn2)CCC1 ZINC000725254876 538049347 /nfs/dbraw/zinc/04/93/47/538049347.db2.gz IARMXCVMQDIPRL-SECBINFHSA-N 1 0 207.277 1.436 10 0 BDAERO CC(C)[C@H](C)[NH2+]CCN1CCO[C@H]2CCC[C@@H]21 ZINC000053425883 187437556 /nfs/dbraw/zinc/43/75/56/187437556.db2.gz YERRENLAXIKNOL-IHRRRGAJSA-N 1 0 240.391 1.874 10 0 BDAERO CCOC(=O)C[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000083255233 191007514 /nfs/dbraw/zinc/00/75/14/191007514.db2.gz AESFAZXEICLRIQ-YIBTVLSRSA-N 1 0 241.331 1.316 10 0 BDAERO CCOC(=O)C1([C@@H]2[NH2+]C(C)(C)C[C@@H](C)O2)CC1 ZINC000217346463 350050343 /nfs/dbraw/zinc/05/03/43/350050343.db2.gz PFINTFVJOUAOSH-NXEZZACHSA-N 1 0 241.331 1.833 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000070732655 350053844 /nfs/dbraw/zinc/05/38/44/350053844.db2.gz GMRIEFVXVLXGDR-SFYZADRCSA-N 1 0 227.333 1.237 10 0 BDAERO Cc1nc(C[C@@H]([NH3+])Cc2cnn(C)c2)cs1 ZINC000055294632 179982995 /nfs/dbraw/zinc/98/29/95/179982995.db2.gz BNRKMGFZOHCUAG-JTQLQIEISA-N 1 0 236.344 1.298 10 0 BDAERO CCCC[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000390590190 538049721 /nfs/dbraw/zinc/04/97/21/538049721.db2.gz ZDSXUIOZILTDNU-QWRGUYRKSA-N 1 0 248.392 1.046 10 0 BDAERO CO[C@H]1CCC[N@H+](C[C@H]2CCCC2=O)C1 ZINC000299921384 350062385 /nfs/dbraw/zinc/06/23/85/350062385.db2.gz ZNFHBFKKFWUSAY-MNOVXSKESA-N 1 0 211.305 1.466 10 0 BDAERO CC[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]2CO)CCO1 ZINC000382335891 350107451 /nfs/dbraw/zinc/10/74/51/350107451.db2.gz YCTBCERJIMZDTP-FIQHERPVSA-N 1 0 213.321 1.162 10 0 BDAERO CCNC(=O)NC[C@H]([NH3+])C1CCCCC1 ZINC000725255202 538050325 /nfs/dbraw/zinc/05/03/25/538050325.db2.gz WEZHYLBSKVCJEV-JTQLQIEISA-N 1 0 213.325 1.213 10 0 BDAERO Cc1nc(N2CCCOCC2)sc1C[NH3+] ZINC000061937034 180002232 /nfs/dbraw/zinc/00/22/32/180002232.db2.gz VBHCKHUJZPDREL-UHFFFAOYSA-N 1 0 227.333 1.137 10 0 BDAERO Cc1nc(N2CCCO[C@H](C)C2)sc1C[NH3+] ZINC000061936979 180003053 /nfs/dbraw/zinc/00/30/53/180003053.db2.gz XOWHVWHSHQSTMD-MRVPVSSYSA-N 1 0 241.360 1.525 10 0 BDAERO Cc1nc(N2CCn3ccnc3C2)sc1C[NH3+] ZINC000062328066 180004202 /nfs/dbraw/zinc/00/42/02/180004202.db2.gz BMUVBAQYVHFYSS-UHFFFAOYSA-N 1 0 249.343 1.127 10 0 BDAERO Cc1[nH+]c(NCc2cccnc2)ccc1N ZINC000082533976 180021079 /nfs/dbraw/zinc/02/10/79/180021079.db2.gz RSDGJDOECDVGLV-UHFFFAOYSA-N 1 0 214.272 1.979 10 0 BDAERO Cc1nc2cc(CCCN(C)CC[NH3+])ccc2o1 ZINC000077418248 180077816 /nfs/dbraw/zinc/07/78/16/180077816.db2.gz LACSXTWNUVQSEF-UHFFFAOYSA-N 1 0 247.342 1.959 10 0 BDAERO Cc1nc2ccc(Br)cn2c1C[NH3+] ZINC000082694424 180089534 /nfs/dbraw/zinc/08/95/34/180089534.db2.gz FPYDWGVOUWGHRX-UHFFFAOYSA-N 1 0 240.104 1.864 10 0 BDAERO [NH3+][C@H]1C[C@H](O)[C@]2(COCc3ccccc3)C[C@H]12 ZINC000034521774 350171983 /nfs/dbraw/zinc/17/19/83/350171983.db2.gz NEWWONWZNBAZIP-RFGFWPKPSA-N 1 0 233.311 1.301 10 0 BDAERO Cc1nc2sccn2c1C[NH2+][C@H](C)CO ZINC000037258296 180117085 /nfs/dbraw/zinc/11/70/85/180117085.db2.gz QQHDMRCZSXGKNM-SSDOTTSWSA-N 1 0 225.317 1.175 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCO[C@@H]2C)cn1 ZINC000336767703 180156702 /nfs/dbraw/zinc/15/67/02/180156702.db2.gz TXEHMMHMKVOBPT-LDYMZIIASA-N 1 0 207.277 1.052 10 0 BDAERO Cc1[nH+]cc(NCCO)n1-c1ccccc1 ZINC000039109926 180170907 /nfs/dbraw/zinc/17/09/07/180170907.db2.gz HNXOZFHSVQJJEY-UHFFFAOYSA-N 1 0 217.272 1.585 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000604764182 350184639 /nfs/dbraw/zinc/18/46/39/350184639.db2.gz ZNRGKDHHLZWITP-OCCSQVGLSA-N 1 0 245.326 1.956 10 0 BDAERO Cc1ncc(C[NH2+]Cc2[nH]cnc2C)s1 ZINC000054797079 180152681 /nfs/dbraw/zinc/15/26/81/180152681.db2.gz DHRBTKGZAYFAPN-UHFFFAOYSA-N 1 0 222.317 1.773 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)CS1 ZINC000392934303 350207126 /nfs/dbraw/zinc/20/71/26/350207126.db2.gz LRWRKEKEXALQKY-XFWSIPNHSA-N 1 0 228.361 1.137 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC000084212420 490381106 /nfs/dbraw/zinc/38/11/06/490381106.db2.gz LKLBJYPPPCWRDN-SDDRHHMPSA-N 1 0 222.332 1.586 10 0 BDAERO Cc1nccc(N[C@H](C)C[NH+]2CCCC2)n1 ZINC000054936198 180204975 /nfs/dbraw/zinc/20/49/75/180204975.db2.gz IPORVRXZHCKWNZ-SNVBAGLBSA-N 1 0 220.320 1.681 10 0 BDAERO Cc1nccc(CNC2=[NH+]C(C)(C)CS2)n1 ZINC000045005720 180188128 /nfs/dbraw/zinc/18/81/28/180188128.db2.gz AXTBZAYECXVHGI-UHFFFAOYSA-N 1 0 236.344 1.756 10 0 BDAERO Cc1nccn1CC[NH2+]Cc1ccnc(C)n1 ZINC000049330267 180189813 /nfs/dbraw/zinc/18/98/13/180189813.db2.gz KQJBTPGTYPUJJL-UHFFFAOYSA-N 1 0 231.303 1.080 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000230191220 490388362 /nfs/dbraw/zinc/38/83/62/490388362.db2.gz KTKDMRFHQBCERO-DBIOUOCHSA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)CN1C ZINC000222151209 350230874 /nfs/dbraw/zinc/23/08/74/350230874.db2.gz WLKGKBHQOZYMTO-BBBLOLIVSA-N 1 0 200.351 1.174 10 0 BDAERO CCn1ncc(Br)c1CC[NH3+] ZINC000125010764 191080232 /nfs/dbraw/zinc/08/02/32/191080232.db2.gz JSDGVQRIZRGLHC-UHFFFAOYSA-N 1 0 218.098 1.167 10 0 BDAERO CC(=O)Nc1ccc([C@H](O)[C@H]2CCCC[NH2+]2)cc1 ZINC000074367709 187443281 /nfs/dbraw/zinc/44/32/81/187443281.db2.gz SUYFPQQVCLQVES-KGLIPLIRSA-N 1 0 248.326 1.821 10 0 BDAERO Cc1nccn1CC[N@@H+]1Cc2ccc(N)cc2C1 ZINC000049331014 180254485 /nfs/dbraw/zinc/25/44/85/180254485.db2.gz CEBFQYAPADIRRF-UHFFFAOYSA-N 1 0 242.326 1.790 10 0 BDAERO Cc1nccnc1N(C)C[C@H]1CCC[NH2+]C1 ZINC000095071099 180275014 /nfs/dbraw/zinc/27/50/14/180275014.db2.gz GVWSAYRZZJCXCK-NSHDSACASA-N 1 0 220.320 1.221 10 0 BDAERO Cc1nccn1CCOCC[C@H]1CCC[NH2+]C1 ZINC000051918300 180261107 /nfs/dbraw/zinc/26/11/07/180261107.db2.gz ZNQVLCHYJSQHKB-CYBMUJFWSA-N 1 0 237.347 1.598 10 0 BDAERO Cc1nccn1C[C@@H]([NH3+])c1cccs1 ZINC000011848633 180264346 /nfs/dbraw/zinc/26/43/46/180264346.db2.gz LYDHPSPBGPZMJU-SECBINFHSA-N 1 0 207.302 1.953 10 0 BDAERO CCOCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000083704066 350326992 /nfs/dbraw/zinc/32/69/92/350326992.db2.gz PXRRTYYBZMHSKX-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO Cc1cc(F)ccc1C[NH2+][C@@H]1C[C@H]1CO ZINC000309168497 323322502 /nfs/dbraw/zinc/32/25/02/323322502.db2.gz KDMRVQLSVKOZRM-CMPLNLGQSA-N 1 0 209.264 1.605 10 0 BDAERO CN1CCC[C@@]2(C1)[NH2+]CCc1occc12 ZINC000212354145 538088182 /nfs/dbraw/zinc/08/81/82/538088182.db2.gz FFMUPBOXLWRFNZ-LBPRGKRZSA-N 1 0 206.289 1.346 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC(C1CC1)C1CC1 ZINC000384386926 350311645 /nfs/dbraw/zinc/31/16/45/350311645.db2.gz MOQLEADETZRIKI-JOYOIKCWSA-N 1 0 236.359 1.679 10 0 BDAERO Cc1nccnc1OCC[C@@H]1CCCC[NH2+]1 ZINC000095069465 180279278 /nfs/dbraw/zinc/27/92/78/180279278.db2.gz QONHHOMTEIBSPI-NSHDSACASA-N 1 0 221.304 1.696 10 0 BDAERO Cc1ncn(-c2ccnc(C[NH3+])c2)c1C ZINC000051928483 180285206 /nfs/dbraw/zinc/28/52/06/180285206.db2.gz YUMGSOHNPPHPIM-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC1CCC(C)([NH3+])CC1 ZINC000725263261 538089643 /nfs/dbraw/zinc/08/96/43/538089643.db2.gz BMEJTTOVZGTWTL-XSRFYTQQSA-N 1 0 241.379 1.990 10 0 BDAERO Cc1ncn(Cc2cc(C[NH3+])c(C)o2)c1C ZINC000052593504 180286867 /nfs/dbraw/zinc/28/68/67/180286867.db2.gz OQZFPCDIMNVZJS-UHFFFAOYSA-N 1 0 219.288 1.908 10 0 BDAERO O=C(CC1CC1)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725264301 538090428 /nfs/dbraw/zinc/09/04/28/538090428.db2.gz XGJCKFSEQGOAIS-GFCCVEGCSA-N 1 0 236.359 1.825 10 0 BDAERO Cc1nc(C[NH3+])cc(Cc2ccccc2F)n1 ZINC000076028294 350346981 /nfs/dbraw/zinc/34/69/81/350346981.db2.gz QOBHJFXAFTWELH-UHFFFAOYSA-N 1 0 231.274 1.974 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC000050395374 180327036 /nfs/dbraw/zinc/32/70/36/180327036.db2.gz VMCFTUGGECOHPR-BDAKNGLRSA-N 1 0 239.344 1.381 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000725264817 538091774 /nfs/dbraw/zinc/09/17/74/538091774.db2.gz FWYRMEJBUVYAFR-SECBINFHSA-N 1 0 246.301 1.346 10 0 BDAERO CC[C@@H]1CN(Cc2ccccn2)[C@H](C)C[NH2+]1 ZINC000082936443 187449371 /nfs/dbraw/zinc/44/93/71/187449371.db2.gz WXXBMSYXGSMTTE-VXGBXAGGSA-N 1 0 219.332 1.654 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(F)ccc1Cl ZINC000226308838 350415915 /nfs/dbraw/zinc/41/59/15/350415915.db2.gz UVGZDRMLSYAUBE-UHFFFAOYSA-N 1 0 216.643 1.637 10 0 BDAERO Cc1ncccc1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226455280 350431959 /nfs/dbraw/zinc/43/19/59/350431959.db2.gz RGAWQGKQKQMYOG-LBPRGKRZSA-N 1 0 247.342 1.604 10 0 BDAERO Cc1nn(C)c2sc([C@@H](C)[NH2+]CCO)cc12 ZINC000336745356 180364728 /nfs/dbraw/zinc/36/47/28/180364728.db2.gz QSRXYGFGXDHGTM-MRVPVSSYSA-N 1 0 239.344 1.586 10 0 BDAERO [NH3+]CC1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000409423433 350474755 /nfs/dbraw/zinc/47/47/55/350474755.db2.gz RHRWRCIXLOYINS-UHFFFAOYSA-N 1 0 220.320 1.462 10 0 BDAERO CCOc1cccc2c1CCN2CC[NH3+] ZINC000409423841 350474884 /nfs/dbraw/zinc/47/48/84/350474884.db2.gz ATHDVIZEAGTYIX-UHFFFAOYSA-N 1 0 206.289 1.407 10 0 BDAERO CCOC[C@@H]1CN(CC[NH3+])C[C@H]1C(F)(F)F ZINC000409425903 350476518 /nfs/dbraw/zinc/47/65/18/350476518.db2.gz BEHBLPCGCMVSIZ-DTWKUNHWSA-N 1 0 240.269 1.092 10 0 BDAERO [NH3+]CCc1c(C2CC2)[nH]nc1C(F)(F)F ZINC000409439733 350482091 /nfs/dbraw/zinc/48/20/91/350482091.db2.gz QKLSAGWLKXPEDA-UHFFFAOYSA-N 1 0 219.210 1.807 10 0 BDAERO Cc1nn(C[C@@H]2CC[C@@H](C[NH3+])O2)c(C)c1Cl ZINC000052573913 180391230 /nfs/dbraw/zinc/39/12/30/180391230.db2.gz PUZXFQGUUTUYDY-UWVGGRQHSA-N 1 0 243.738 1.660 10 0 BDAERO Cc1nn(Cc2nc(C(C)C)no2)c(C)c1C[NH3+] ZINC000049338540 180392336 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/nfs/dbraw/zinc/45/86/59/187458659.db2.gz QVWYXVFREHVZJP-CQSZACIVSA-N 1 0 211.330 1.760 10 0 BDAERO CC(C)[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251925933 535150330 /nfs/dbraw/zinc/15/03/30/535150330.db2.gz YHYMJLLGGBUYKK-FRRDWIJNSA-N 1 0 226.364 1.172 10 0 BDAERO CC(C)C[NH2+]CC[C@H](CO)[C@H]1COC(C)(C)O1 ZINC000725267806 538099064 /nfs/dbraw/zinc/09/90/64/538099064.db2.gz ZLHHXBBPJWMXJC-VXGBXAGGSA-N 1 0 245.363 1.382 10 0 BDAERO CC(C)C(C[NH2+][C@H]1CCOC[C@H]1O)C(C)C ZINC000628466687 358457606 /nfs/dbraw/zinc/45/76/06/358457606.db2.gz GPQYZMZHXQPEIJ-QWHCGFSZSA-N 1 0 229.364 1.654 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1cccc(C2OCCO2)c1 ZINC000235160371 350712567 /nfs/dbraw/zinc/71/25/67/350712567.db2.gz AXBCLBAFDKRHRO-MRVPVSSYSA-N 1 0 236.271 1.018 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1cccnc1Br ZINC000235159605 350712720 /nfs/dbraw/zinc/71/27/20/350712720.db2.gz XCOYUOARGJUFRO-RXMQYKEDSA-N 1 0 244.092 1.130 10 0 BDAERO OCC[N@@H+]1CCOCC[C@H]1c1cccc(F)c1 ZINC000616598549 350676322 /nfs/dbraw/zinc/67/63/22/350676322.db2.gz PIOQTZMCIHWKQA-ZDUSSCGKSA-N 1 0 239.290 1.581 10 0 BDAERO [NH3+]CCN1CCOCC[C@H]1c1ccc(F)cc1 ZINC000616598607 350677010 /nfs/dbraw/zinc/67/70/10/350677010.db2.gz QQKJYKXADRMWGA-ZDUSSCGKSA-N 1 0 238.306 1.548 10 0 BDAERO CC[NH+]1CCC(Nc2ccc(N)cn2)CC1 ZINC000233474303 350677121 /nfs/dbraw/zinc/67/71/21/350677121.db2.gz CFNMKMQQYSVNHW-UHFFFAOYSA-N 1 0 220.320 1.560 10 0 BDAERO Cc1noc(CN(C[C@@H]2CCC[NH2+]2)C2CC2)n1 ZINC000301907656 180485550 /nfs/dbraw/zinc/48/55/50/180485550.db2.gz NLNSCZBEUMJHJN-JTQLQIEISA-N 1 0 236.319 1.094 10 0 BDAERO NC(=O)c1ccccc1[C@H]1CCCC[N@@H+]1CCO ZINC000616614078 350821383 /nfs/dbraw/zinc/82/13/83/350821383.db2.gz HXQRDIQOROGDGH-CYBMUJFWSA-N 1 0 248.326 1.305 10 0 BDAERO CCN1CCOC[C@H]1c1ccccc1CO ZINC000616600328 350779338 /nfs/dbraw/zinc/77/93/38/350779338.db2.gz FGLJOCWHCCMXNO-ZDUSSCGKSA-N 1 0 221.300 1.572 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccccc2CO)C1 ZINC000616600656 350779606 /nfs/dbraw/zinc/77/96/06/350779606.db2.gz LFRDOFMJCDKVGO-CQSZACIVSA-N 1 0 248.370 1.924 10 0 BDAERO CCN1CC[NH2+][C@H](c2cccc3nnccc32)C1 ZINC000616601409 350782089 /nfs/dbraw/zinc/78/20/89/350782089.db2.gz GWVVPEIGYIYMMU-AWEZNQCLSA-N 1 0 242.326 1.596 10 0 BDAERO OCCc1cccc([C@H]2COCCC[NH2+]2)c1 ZINC000616603424 350790261 /nfs/dbraw/zinc/79/02/61/350790261.db2.gz OIZCFBPTLHHXMG-CYBMUJFWSA-N 1 0 221.300 1.272 10 0 BDAERO CC(C)(C[NH3+])c1nc2cccnc2s1 ZINC000167930175 350790845 /nfs/dbraw/zinc/79/08/45/350790845.db2.gz IKEHPFNNCOXMCZ-UHFFFAOYSA-N 1 0 207.302 1.928 10 0 BDAERO CC(=O)Nc1cccc([C@H]2COCCC[NH2+]2)c1 ZINC000616602414 350791883 /nfs/dbraw/zinc/79/18/83/350791883.db2.gz JSMJIKIRGZCOBD-CYBMUJFWSA-N 1 0 234.299 1.696 10 0 BDAERO CN1CC[NH2+][C@H](c2cccc3ncccc32)C1 ZINC000616604676 350793439 /nfs/dbraw/zinc/79/34/39/350793439.db2.gz YHFFSGFYPKKIQF-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO NCC[N@@H+]1CCCC[C@H](c2ccc(N)cc2)C1 ZINC000616605364 350794977 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/nfs/dbraw/zinc/83/31/57/350833157.db2.gz IYJQTCQPZJGLJB-SNVBAGLBSA-N 1 0 207.277 1.053 10 0 BDAERO CNc1ccc([C@@H]2CCN(CC[NH3+])C2)cc1 ZINC000616614596 350836154 /nfs/dbraw/zinc/83/61/54/350836154.db2.gz QZWNXGGRJDNNAY-GFCCVEGCSA-N 1 0 219.332 1.476 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616614626 350836266 /nfs/dbraw/zinc/83/62/66/350836266.db2.gz SSDRJUQIJGLBDC-CYBMUJFWSA-N 1 0 232.327 1.983 10 0 BDAERO CNc1cccc([C@@H]2CCN(CC[NH3+])C2)c1 ZINC000616614615 350836271 /nfs/dbraw/zinc/83/62/71/350836271.db2.gz SBMHCLYLMMTJAH-GFCCVEGCSA-N 1 0 219.332 1.476 10 0 BDAERO CC(C)C[C@@H](C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000052946270 187471633 /nfs/dbraw/zinc/47/16/33/187471633.db2.gz SINWMNIXHVFEEW-UWVGGRQHSA-N 1 0 219.350 1.042 10 0 BDAERO CC1(C)CS[C@@](C)([C@@H]2CCCO2)[NH2+]1 ZINC000306708376 350856445 /nfs/dbraw/zinc/85/64/45/350856445.db2.gz OFZSFRSGSDMIQH-WPRPVWTQSA-N 1 0 201.335 1.997 10 0 BDAERO CN(Cc1nnsc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000306676524 350827785 /nfs/dbraw/zinc/82/77/85/350827785.db2.gz WHYQXEUDONYVHF-ZETCQYMHSA-N 1 0 246.767 1.327 10 0 BDAERO C[C@@H]1CCN(CCC(F)(F)F)C[C@H]1[NH3+] ZINC000251569628 350898701 /nfs/dbraw/zinc/89/87/01/350898701.db2.gz DGVHSYBDKAQLFC-HTQZYQBOSA-N 1 0 210.243 1.608 10 0 BDAERO CO[C@@]1(C)CC[N@H+](C[C@@H]2CCCC2=O)C1 ZINC000306731581 350901126 /nfs/dbraw/zinc/90/11/26/350901126.db2.gz QUKGONIBPCVHBT-JQWIXIFHSA-N 1 0 211.305 1.466 10 0 BDAERO Cc1cc(-c2cnc(C[NH3+])s2)ccn1 ZINC000306734646 350904183 /nfs/dbraw/zinc/90/41/83/350904183.db2.gz VCZMCOWPNHCCAH-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO C[C@@H]1CSCCN1[C@H]1CCC[C@H]1[NH3+] ZINC000251865007 350905700 /nfs/dbraw/zinc/90/57/00/350905700.db2.gz SUUHZDOTUQJRND-BBBLOLIVSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@H]1CSCC[N@@H+]1[C@H]1CCCCC1=O ZINC000251863098 350905916 /nfs/dbraw/zinc/90/59/16/350905916.db2.gz SQXYWYQMCPQCOM-UWVGGRQHSA-N 1 0 213.346 1.935 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000251894476 350906433 /nfs/dbraw/zinc/90/64/33/350906433.db2.gz SARQSHQOHPQSEF-IWSPIJDZSA-N 1 0 200.351 1.781 10 0 BDAERO C[C@H](c1cscn1)N(C)[C@H]1CC[NH2+]C1 ZINC000252939836 350917024 /nfs/dbraw/zinc/91/70/24/350917024.db2.gz IIJUKABKRNSKKF-BDAKNGLRSA-N 1 0 211.334 1.498 10 0 BDAERO Nc1ccccc1C1CC[NH+](CCO)CC1 ZINC000616619103 350926875 /nfs/dbraw/zinc/92/68/75/350926875.db2.gz CLRVUBBHWZESOP-UHFFFAOYSA-N 1 0 220.316 1.441 10 0 BDAERO COc1ccc([C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616620101 350932160 /nfs/dbraw/zinc/93/21/60/350932160.db2.gz FHVNKBGDCAPANW-CYBMUJFWSA-N 1 0 235.327 1.867 10 0 BDAERO CNc1ccccc1[C@@H]1CCCN(CC[NH3+])C1 ZINC000616620201 350934442 /nfs/dbraw/zinc/93/44/42/350934442.db2.gz ITMUXTPDADHPHP-GFCCVEGCSA-N 1 0 233.359 1.866 10 0 BDAERO Nc1cccc([C@H]2CCC[N@H+](CCO)C2)c1 ZINC000616618187 350884114 /nfs/dbraw/zinc/88/41/14/350884114.db2.gz QVHKHXWTLAIERL-LBPRGKRZSA-N 1 0 220.316 1.441 10 0 BDAERO N[C@@H](CC[NH3+])c1c(Cl)cncc1Cl ZINC000306722156 350889264 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363095029 /nfs/dbraw/zinc/09/50/29/363095029.db2.gz MPIQCFOWELWVPL-PSASIEDQSA-N 1 0 229.370 1.953 10 0 BDAERO Cc1nc(C)c([C@H]2OCCC[C@@H]2[NH3+])s1 ZINC000307268800 351815718 /nfs/dbraw/zinc/81/57/18/351815718.db2.gz LHCVDHTUYYMRET-IUCAKERBSA-N 1 0 212.318 1.939 10 0 BDAERO C[C@H](C[NH3+])CNc1c(F)cccc1F ZINC000307285911 351851606 /nfs/dbraw/zinc/85/16/06/351851606.db2.gz PSGNZNHWTVXSGI-SSDOTTSWSA-N 1 0 200.232 1.972 10 0 BDAERO Cn1cc(C[C@H]([NH3+])C2CCCCC2)cn1 ZINC000050542509 180654257 /nfs/dbraw/zinc/65/42/57/180654257.db2.gz LJGORFGIMIKIID-LBPRGKRZSA-N 1 0 207.321 1.870 10 0 BDAERO C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000637991818 351866191 /nfs/dbraw/zinc/86/61/91/351866191.db2.gz SYHRIXHVHBTWPV-JOYOIKCWSA-N 1 0 222.332 1.729 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638038681 351919870 /nfs/dbraw/zinc/91/98/70/351919870.db2.gz OVWIKPIUYMLQJL-MIMYLULJSA-N 1 0 208.305 1.339 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2ccnn2C)C[C@@H](C)O1 ZINC000341483387 187530303 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352100875 /nfs/dbraw/zinc/10/08/75/352100875.db2.gz WPNUDKMACSFTKC-VIFPVBQESA-N 1 0 202.367 1.551 10 0 BDAERO Cn1cc(C(F)F)c(C2([NH3+])CCC2)n1 ZINC000725270455 538102182 /nfs/dbraw/zinc/10/21/82/538102182.db2.gz NMBSSXXJOHBSMK-UHFFFAOYSA-N 1 0 201.220 1.696 10 0 BDAERO C[NH2+]CCN(C)c1nc(C(C)C)ns1 ZINC000083651690 352222034 /nfs/dbraw/zinc/22/20/34/352222034.db2.gz OBXQFKUXJBHDMY-UHFFFAOYSA-N 1 0 214.338 1.317 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](CCC)OCC ZINC000638459353 352270783 /nfs/dbraw/zinc/27/07/83/352270783.db2.gz XTQQDZKRARRPKB-WDEREUQCSA-N 1 0 230.352 1.435 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)c1cnccn1 ZINC000226477922 363164339 /nfs/dbraw/zinc/16/43/39/363164339.db2.gz FOUWNHDLPDUVQP-RKDXNWHRSA-N 1 0 205.261 1.177 10 0 BDAERO CC[N@@H+](Cc1cccs1)C[C@@H]1CNC(=O)O1 ZINC000291721962 352287778 /nfs/dbraw/zinc/28/77/78/352287778.db2.gz WUNMJFWZKPFTJH-VIFPVBQESA-N 1 0 240.328 1.678 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1CC=CC1 ZINC000638492114 352302327 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CC[C@@H]1CN([C@@H](C)C(F)F)[C@H](C)C[NH2+]1 ZINC000307375465 352474135 /nfs/dbraw/zinc/47/41/35/352474135.db2.gz ZLODYTPOIRVKNC-HRDYMLBCSA-N 1 0 206.280 1.712 10 0 BDAERO [NH3+]C[C@@H](F)Cc1coc(Br)c1 ZINC000307376164 352476529 /nfs/dbraw/zinc/47/65/29/352476529.db2.gz VMZXDFLOFUXMKL-LURJTMIESA-N 1 0 222.057 1.881 10 0 BDAERO CN(C1CC([NH3+])C1)[S@@](=O)C1CCCC1 ZINC000307384532 352511813 /nfs/dbraw/zinc/51/18/13/352511813.db2.gz IZQHEQSTHXGJBD-CTCYHXBNSA-N 1 0 216.350 1.014 10 0 BDAERO Cn1ccnc1Sc1ccc(C(N)=[NH2+])cc1 ZINC000019866395 180754366 /nfs/dbraw/zinc/75/43/66/180754366.db2.gz PGGIBTCSDZZLSZ-UHFFFAOYSA-N 1 0 232.312 1.855 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000638694541 352531315 /nfs/dbraw/zinc/53/13/15/352531315.db2.gz GKJLYUGHDJYVMP-TUAOUCFPSA-N 1 0 240.347 1.044 10 0 BDAERO CCNC(=[NH2+])Nc1cnn(Cc2ccccc2)c1 ZINC000307421440 352590693 /nfs/dbraw/zinc/59/06/93/352590693.db2.gz OAFKPOGXJHEMJH-UHFFFAOYSA-N 1 0 243.314 1.888 10 0 BDAERO Cc1cc(Br)ccc1[C@@H]([NH3+])C(N)=O ZINC000307475098 352618876 /nfs/dbraw/zinc/61/88/76/352618876.db2.gz JZYUTPDZJDWTLO-MRVPVSSYSA-N 1 0 243.104 1.243 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H](Nc2ncns2)C1 ZINC000307460708 352609794 /nfs/dbraw/zinc/60/97/94/352609794.db2.gz FFLCGGDKEHDXQP-SFYZADRCSA-N 1 0 212.322 1.468 10 0 BDAERO CC(C)(C[NH3+])CNC(=O)NCc1ccccc1 ZINC000232303911 352610586 /nfs/dbraw/zinc/61/05/86/352610586.db2.gz YERRLIOJYBRTKW-UHFFFAOYSA-N 1 0 235.331 1.471 10 0 BDAERO C[C@@]1(CO)CC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000307394915 352569042 /nfs/dbraw/zinc/56/90/42/352569042.db2.gz MVRANIGWPSQIQT-ZYHUDNBSSA-N 1 0 211.305 1.202 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[NH2+][C@]2(C)C1 ZINC000498036356 352570078 /nfs/dbraw/zinc/57/00/78/352570078.db2.gz BTSYWUMATFSQOJ-JOYOIKCWSA-N 1 0 226.320 1.605 10 0 BDAERO CC1(C)C[N@@H+]([C@@H]2CCC(=O)C2)CCCO1 ZINC000307399517 352572063 /nfs/dbraw/zinc/57/20/63/352572063.db2.gz XAESHLIOMNWDII-SNVBAGLBSA-N 1 0 211.305 1.609 10 0 BDAERO [NH3+]CCC(=O)Nc1ccc(O)c(Cl)c1 ZINC000232397443 352649214 /nfs/dbraw/zinc/64/92/14/352649214.db2.gz SVQZLIKSBHTJPR-UHFFFAOYSA-N 1 0 214.652 1.333 10 0 BDAERO CSCCN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000307560441 352649986 /nfs/dbraw/zinc/64/99/86/352649986.db2.gz HNTDCLXIQIIPIA-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO CSCCN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000307560438 352650321 /nfs/dbraw/zinc/65/03/21/352650321.db2.gz HNTDCLXIQIIPIA-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO [NH3+]CCNc1cc(F)cc(Br)c1 ZINC000307592294 352662907 /nfs/dbraw/zinc/66/29/07/352662907.db2.gz DANAHUAXNWHJOX-UHFFFAOYSA-N 1 0 233.084 1.959 10 0 BDAERO [NH3+][C@@]1(Cc2coc(Br)c2)CCOC1 ZINC000307501256 352629508 /nfs/dbraw/zinc/62/95/08/352629508.db2.gz UYHPJPPAICJKAM-SECBINFHSA-N 1 0 246.104 1.702 10 0 BDAERO C[C@@H]1C[NH2+][C@](C)([C@H]2CCCO2)SC1 ZINC000307530716 352635425 /nfs/dbraw/zinc/63/54/25/352635425.db2.gz VZNWTPLUJLYZMH-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO [NH3+]C1CC(O)(Cc2sccc2Cl)C1 ZINC000307522709 352636176 /nfs/dbraw/zinc/63/61/76/352636176.db2.gz IBHISAODUOLPMQ-UHFFFAOYSA-N 1 0 217.721 1.796 10 0 BDAERO CC[C@H]1CS[C@]2(CCN(CC)C2)[NH2+]1 ZINC000307626411 352707005 /nfs/dbraw/zinc/70/70/05/352707005.db2.gz HXGMTZGVWNHESS-UWVGGRQHSA-N 1 0 200.351 1.523 10 0 BDAERO CCC(CC)[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000304258588 352727515 /nfs/dbraw/zinc/72/75/15/352727515.db2.gz SQAZMTYAUMHGOF-VXGBXAGGSA-N 1 0 231.380 1.780 10 0 BDAERO Cn1cnnc1SCc1cccc(C[NH3+])c1 ZINC000035724087 180797122 /nfs/dbraw/zinc/79/71/22/180797122.db2.gz PZSBEFQNJGKYBY-UHFFFAOYSA-N 1 0 234.328 1.566 10 0 BDAERO COC[C@H]([NH2+][C@@H]1C[C@@H]1C)C1CCOCC1 ZINC000187954223 352807832 /nfs/dbraw/zinc/80/78/32/352807832.db2.gz IWDXXHGRPQJFMR-WCQGTBRESA-N 1 0 213.321 1.426 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC12CC2 ZINC000638795147 352884068 /nfs/dbraw/zinc/88/40/68/352884068.db2.gz LZYXYRBGDJADPA-ZJUUUORDSA-N 1 0 210.321 1.291 10 0 BDAERO CC1(C)CCSC[C@@]12CC[NH2+][C@H]2CO ZINC000307698071 352955918 /nfs/dbraw/zinc/95/59/18/352955918.db2.gz MNLIYXLJIIRQHL-GXSJLCMTSA-N 1 0 215.362 1.490 10 0 BDAERO CC1(C)CCSC[C@]12CC[NH2+][C@@H]2CO ZINC000307698072 352956344 /nfs/dbraw/zinc/95/63/44/352956344.db2.gz MNLIYXLJIIRQHL-KOLCDFICSA-N 1 0 215.362 1.490 10 0 BDAERO CC1(C)CCSC[C@]12CC[NH2+][C@H]2CO ZINC000307698074 352956425 /nfs/dbraw/zinc/95/64/25/352956425.db2.gz MNLIYXLJIIRQHL-ONGXEEELSA-N 1 0 215.362 1.490 10 0 BDAERO [NH2+]=C1COC[C@@H](c2ccccc2Cl)N1 ZINC000306631479 353030660 /nfs/dbraw/zinc/03/06/60/353030660.db2.gz DEHJKQUFSHTVHU-VIFPVBQESA-N 1 0 210.664 1.769 10 0 BDAERO CC[C@@](C)(NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000638858565 353035015 /nfs/dbraw/zinc/03/50/15/353035015.db2.gz SRJAHPWNROKPAE-IRUJWGPZSA-N 1 0 224.348 1.537 10 0 BDAERO Cc1ncsc1NC(=O)[C@@H]([NH3+])C(C)C ZINC000306212327 352994628 /nfs/dbraw/zinc/99/46/28/352994628.db2.gz RXBKQANMSBRVDT-ZETCQYMHSA-N 1 0 213.306 1.373 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1CN1CCC(F)(F)C1 ZINC000306242747 352998810 /nfs/dbraw/zinc/99/88/10/352998810.db2.gz SPDFSWWXBJHWNS-IUCAKERBSA-N 1 0 204.264 1.325 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC23CC3)C1 ZINC000638831392 353011466 /nfs/dbraw/zinc/01/14/66/353011466.db2.gz KIMAIUIPQOHWGE-QJPTWQEYSA-N 1 0 236.359 1.953 10 0 BDAERO Cc1cc(NCC[NH3+])cnc1Br ZINC000306417217 353011481 /nfs/dbraw/zinc/01/14/81/353011481.db2.gz XVBIIKQPBPUWSZ-UHFFFAOYSA-N 1 0 230.109 1.523 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCCC12CC2 ZINC000638831777 353011967 /nfs/dbraw/zinc/01/19/67/353011967.db2.gz BHRASUUXHGIPKP-VXGBXAGGSA-N 1 0 236.359 1.825 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000638890213 353058694 /nfs/dbraw/zinc/05/86/94/353058694.db2.gz COMFUCPIMZAMQB-SKDRFNHKSA-N 1 0 233.315 1.057 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC=CCC2)C[C@@H]1C[NH3+] ZINC000638899924 353062267 /nfs/dbraw/zinc/06/22/67/353062267.db2.gz DNRVCKVMFNNTLR-YPMHNXCESA-N 1 0 236.359 1.786 10 0 BDAERO COC[C@H](C)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000379588234 538107597 /nfs/dbraw/zinc/10/75/97/538107597.db2.gz SZVKIXDXTHVVRP-AXFHLTTASA-N 1 0 201.310 1.426 10 0 BDAERO CS[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 ZINC000307251137 353063853 /nfs/dbraw/zinc/06/38/53/353063853.db2.gz QFXMHCQTQANVLM-BBBLOLIVSA-N 1 0 201.335 1.337 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](OCc2csnn2)C1 ZINC000306958949 353047187 /nfs/dbraw/zinc/04/71/87/353047187.db2.gz WQPICICTRUGBTE-APPZFPTMSA-N 1 0 213.306 1.325 10 0 BDAERO FC(F)(F)c1ncc(C2C[NH2+]C2)s1 ZINC000307013034 353049383 /nfs/dbraw/zinc/04/93/83/353049383.db2.gz LKPPKIVEJVTFMY-UHFFFAOYSA-N 1 0 208.208 1.849 10 0 BDAERO Cc1occc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638887879 353049565 /nfs/dbraw/zinc/04/95/65/353049565.db2.gz QRQCHWRZYLZSSO-PSASIEDQSA-N 1 0 222.288 1.255 10 0 BDAERO C[C@H]1CN(C(=O)CC2CCCC2)C[C@@H]1C[NH3+] ZINC000638888312 353049577 /nfs/dbraw/zinc/04/95/77/353049577.db2.gz XKPYWQFEHIEZJO-JQWIXIFHSA-N 1 0 224.348 1.620 10 0 BDAERO Cc1cccc(CC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638887608 353049655 /nfs/dbraw/zinc/04/96/55/353049655.db2.gz LLMLZCBVWQKECT-TZMCWYRMSA-N 1 0 246.354 1.591 10 0 BDAERO CC(C)CCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638885175 353052177 /nfs/dbraw/zinc/05/21/77/353052177.db2.gz HIWVIYIHPSIQKX-WDEREUQCSA-N 1 0 212.337 1.476 10 0 BDAERO C[NH2+][C@@H](C)/C=C/c1c(Br)cnn1C ZINC000307118092 353055988 /nfs/dbraw/zinc/05/59/88/353055988.db2.gz QJMMIEPGAIIFOQ-KPJROHGDSA-N 1 0 244.136 1.804 10 0 BDAERO C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000638894879 353056059 /nfs/dbraw/zinc/05/60/59/353056059.db2.gz WWPYIOXOKCQDAK-APPZFPTMSA-N 1 0 232.274 1.085 10 0 BDAERO Nc1ccnc(C=O)c1Br ZINC000307539919 353082445 /nfs/dbraw/zinc/08/24/45/353082445.db2.gz ZOMABMNBTARQGL-UHFFFAOYSA-N 1 0 201.023 1.239 10 0 BDAERO [NH3+]Cc1cnc(-n2cc(Cl)cn2)s1 ZINC000307751587 353099837 /nfs/dbraw/zinc/09/98/37/353099837.db2.gz OMGIUKFVKBYCNE-UHFFFAOYSA-N 1 0 214.681 1.441 10 0 BDAERO C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)C[NH2+]1 ZINC000307738922 353122304 /nfs/dbraw/zinc/12/23/04/353122304.db2.gz XSDOSPKIPAQIKL-NKWVEPMBSA-N 1 0 224.226 1.053 10 0 BDAERO CC[C@@H]1CC[NH2+][C@H]([C@](C)(F)[C@H](C)N)C1 ZINC000307738221 353122448 /nfs/dbraw/zinc/12/24/48/353122448.db2.gz WHOXIXUPOIFJBN-ZRUFSTJUSA-N 1 0 202.317 1.840 10 0 BDAERO C[C@H]1COCC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307749354 353125918 /nfs/dbraw/zinc/12/59/18/353125918.db2.gz GIQHJXMOQPJUEC-AAEUAGOBSA-N 1 0 247.342 1.726 10 0 BDAERO CC(C)C[N@@H+]1CCc2[nH]c(=S)oc2C1 ZINC000232568850 353134658 /nfs/dbraw/zinc/13/46/58/353134658.db2.gz UFNQMWNTEDTPGL-UHFFFAOYSA-N 1 0 212.318 1.977 10 0 BDAERO COC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000121163729 188075254 /nfs/dbraw/zinc/07/52/54/188075254.db2.gz YVAYKXYGBRQDAF-SRVKXCTJSA-N 1 0 242.363 1.068 10 0 BDAERO CC(C)OC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000232664380 353155701 /nfs/dbraw/zinc/15/57/01/353155701.db2.gz QMKGRWGOOPGFGO-BDAKNGLRSA-N 1 0 200.282 1.262 10 0 BDAERO CC(C)COC[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339518031 188084575 /nfs/dbraw/zinc/08/45/75/188084575.db2.gz YNKLNHXPFAHSEA-GFCCVEGCSA-N 1 0 229.364 1.798 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2[nH]ncc2C)C1 ZINC000336760374 353170800 /nfs/dbraw/zinc/17/08/00/353170800.db2.gz JPUZAPKSMMOFOK-NSHDSACASA-N 1 0 222.336 1.292 10 0 BDAERO C[C@H](C[NH3+])CN=c1[nH]c2ccccc2n1C ZINC000420222999 192178836 /nfs/dbraw/zinc/17/88/36/192178836.db2.gz ZABUBOVPBUPWQO-SECBINFHSA-N 1 0 218.304 1.002 10 0 BDAERO CC(=O)Nc1ccc([C@@H](O)[C@H]2CCC[NH2+]2)cc1 ZINC000074367699 188096453 /nfs/dbraw/zinc/09/64/53/188096453.db2.gz HAGAPBLNMLMIAF-CHWSQXEVSA-N 1 0 234.299 1.430 10 0 BDAERO COc1ccc(C[C@@H]2CCC[NH2+]2)cc1OC ZINC000011630861 188105334 /nfs/dbraw/zinc/10/53/34/188105334.db2.gz PVZYPDMLAMMCDC-NSHDSACASA-N 1 0 221.300 1.998 10 0 BDAERO CC(C)(C)N1CC[C@]2(CCC[NH2+]C2)C1=O ZINC000044136460 188123188 /nfs/dbraw/zinc/12/31/88/188123188.db2.gz YSTADEBIQNUKKI-LBPRGKRZSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@]12C[C@H]1CCCC2 ZINC000638974590 353180177 /nfs/dbraw/zinc/18/01/77/353180177.db2.gz SGVSTDTWTYOGRZ-PRULPYPASA-N 1 0 222.332 1.291 10 0 BDAERO CC(C)(CO)[NH2+]CC(=O)Nc1ccccc1F ZINC000035102016 188111434 /nfs/dbraw/zinc/11/14/34/188111434.db2.gz MVIZJRLHFWPFKH-UHFFFAOYSA-N 1 0 240.278 1.125 10 0 BDAERO CC(C)[C@H](C)[N@H+](C)[C@]1(CN)CN2CCC1CC2 ZINC000036787030 188112127 /nfs/dbraw/zinc/11/21/27/188112127.db2.gz RDRFRZZFXZIHTI-GXTWGEPZSA-N 1 0 239.407 1.386 10 0 BDAERO O=C(N[C@@]12C[C@@H]1CCCC2)[C@H]1CCC[NH2+]C1 ZINC000638976622 353181728 /nfs/dbraw/zinc/18/17/28/353181728.db2.gz BFNYPPHICXOYQB-GVXVVHGQSA-N 1 0 222.332 1.435 10 0 BDAERO CC(C)C[NH2+][C@@H](C(N)=O)c1cccc(O)c1 ZINC000037946213 188115768 /nfs/dbraw/zinc/11/57/68/188115768.db2.gz MKFUKLUTNORVSH-LLVKDONJSA-N 1 0 222.288 1.164 10 0 BDAERO Cc1cccc(NC2(C(N)=O)CC[NH+](C)CC2)c1 ZINC000037943469 188116227 /nfs/dbraw/zinc/11/62/27/188116227.db2.gz RZDPNNQZNFHRDM-UHFFFAOYSA-N 1 0 247.342 1.357 10 0 BDAERO CC(C)([NH3+])C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000040921007 188118538 /nfs/dbraw/zinc/11/85/38/188118538.db2.gz OZSDPJAJLRJCQZ-GHMZBOCLSA-N 1 0 224.348 1.905 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](O[C@H]2CCSC2)C1 ZINC000405325902 353188513 /nfs/dbraw/zinc/18/85/13/353188513.db2.gz XDJNAQGMZRZOMJ-BBBLOLIVSA-N 1 0 201.335 1.778 10 0 BDAERO CC(C)C[C@H](C)N(C)C(=O)N1CC[NH2+]CC1 ZINC000042580600 188120200 /nfs/dbraw/zinc/12/02/00/188120200.db2.gz FWGBRWQVGUISAB-NSHDSACASA-N 1 0 227.352 1.378 10 0 BDAERO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000042550111 188120251 /nfs/dbraw/zinc/12/02/51/188120251.db2.gz QYZDSFSOPZLCPG-JTQLQIEISA-N 1 0 243.310 1.602 10 0 BDAERO CC(C)N(CC1CC1)c1ccc(C(N)=[NH2+])cn1 ZINC000042584004 188120265 /nfs/dbraw/zinc/12/02/65/188120265.db2.gz QHUDGETUIURKFS-UHFFFAOYSA-N 1 0 232.331 1.990 10 0 BDAERO CCN(c1ncccc1C(N)=[NH2+])[C@@H](C)COC ZINC000042767426 188121021 /nfs/dbraw/zinc/12/10/21/188121021.db2.gz IFYOLKMJWXXNRQ-VIFPVBQESA-N 1 0 236.319 1.227 10 0 BDAERO CC(C)(O)[C@@H](O)c1cnc2ccccn21 ZINC000089200968 188144534 /nfs/dbraw/zinc/14/45/34/188144534.db2.gz MUUFMKCOCTUCEQ-JTQLQIEISA-N 1 0 206.245 1.139 10 0 BDAERO CC(C)([NH3+])C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000045088394 188123508 /nfs/dbraw/zinc/12/35/08/188123508.db2.gz MPKPOJAFUAPOHP-LLVKDONJSA-N 1 0 224.348 1.905 10 0 BDAERO C[NH2+][C@@H]1CCN(Cc2cc(C)no2)C[C@H]1C ZINC000044994961 188123762 /nfs/dbraw/zinc/12/37/62/188123762.db2.gz WTNLCAHVMHTJSW-BXKDBHETSA-N 1 0 223.320 1.413 10 0 BDAERO COc1ccc(NC(=O)C(C)(C)[NH3+])cc1C ZINC000049531961 188124535 /nfs/dbraw/zinc/12/45/35/188124535.db2.gz PHVBHBIMBSABOJ-UHFFFAOYSA-N 1 0 222.288 1.679 10 0 BDAERO CC(C)N(CC[NH2+]CCn1cccn1)C(C)C ZINC000049313985 188124666 /nfs/dbraw/zinc/12/46/66/188124666.db2.gz ANDKUILPDSGGOO-UHFFFAOYSA-N 1 0 238.379 1.592 10 0 BDAERO C[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000049647301 188125473 /nfs/dbraw/zinc/12/54/73/188125473.db2.gz LBBWLQXQQAPFQM-GFCCVEGCSA-N 1 0 234.299 1.016 10 0 BDAERO COc1ccccc1NC(=O)C[NH2+][C@H]1C[C@@H]1C ZINC000052287788 188126511 /nfs/dbraw/zinc/12/65/11/188126511.db2.gz HMWWGLXVJXGSEE-ONGXEEELSA-N 1 0 234.299 1.632 10 0 BDAERO Cc1ccsc1C(=O)N(C)C[C@@H]1CC[NH2+]C1 ZINC000095071168 188145631 /nfs/dbraw/zinc/14/56/31/188145631.db2.gz DPJHTDUAGPNTQN-SNVBAGLBSA-N 1 0 238.356 1.738 10 0 BDAERO Cc1cccnc1-c1nc(CCC[NH3+])no1 ZINC000054138912 188126892 /nfs/dbraw/zinc/12/68/92/188126892.db2.gz IYMFJPDOTYZLMR-UHFFFAOYSA-N 1 0 218.260 1.331 10 0 BDAERO CC(C)[N@H+](C)CCN1Cc2cccc(N)c2C1 ZINC000054132525 188127006 /nfs/dbraw/zinc/12/70/06/188127006.db2.gz WNDOZBCASSOVRJ-UHFFFAOYSA-N 1 0 233.359 1.925 10 0 BDAERO CC(C)(C)c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000054301333 188127413 /nfs/dbraw/zinc/12/74/13/188127413.db2.gz HCIXROSCFCIAHS-SECBINFHSA-N 1 0 223.320 1.909 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(Cl)cn1 ZINC000040459092 188130562 /nfs/dbraw/zinc/13/05/62/188130562.db2.gz ZIMWXWQNPLQVFV-VIFPVBQESA-N 1 0 227.695 1.657 10 0 BDAERO C=COc1ccccc1O[C@@H](C)C1=[NH+]CCN1 ZINC000073312425 188131748 /nfs/dbraw/zinc/13/17/48/188131748.db2.gz OKXLKFXGMFJJAL-JTQLQIEISA-N 1 0 232.283 1.978 10 0 BDAERO COc1ccc(C)cc1C[C@@H]1COCC[C@H]1[NH3+] ZINC000076682533 188135415 /nfs/dbraw/zinc/13/54/15/188135415.db2.gz JEKPVMOCVQMRAL-CHWSQXEVSA-N 1 0 235.327 1.910 10 0 BDAERO Cc1cccc([C@H]2C[NH2+]C[C@H](C(N)=O)C2)c1 ZINC000082162778 188137177 /nfs/dbraw/zinc/13/71/77/188137177.db2.gz FCJHMTOYZOCSHP-VXGBXAGGSA-N 1 0 218.300 1.173 10 0 BDAERO C[NH2+][C@@H]1CCN(CCc2cccc(OC)c2)C1=O ZINC000082554131 188139171 /nfs/dbraw/zinc/13/91/71/188139171.db2.gz VCPCNWFKPRSFMI-CYBMUJFWSA-N 1 0 248.326 1.058 10 0 BDAERO C[NH2+]Cc1cccc(N(C)C[C@@H]2CCCOC2)n1 ZINC000104193859 188150404 /nfs/dbraw/zinc/15/04/04/188150404.db2.gz XLUZELVYVVTLGB-LBPRGKRZSA-N 1 0 249.358 1.664 10 0 BDAERO CC(C)(C)[C@H](CN)[N@@H+]1CCCC[C@@H]1CO ZINC000043293243 188152015 /nfs/dbraw/zinc/15/20/15/188152015.db2.gz LBBBNXNDMPAKNE-MNOVXSKESA-N 1 0 214.353 1.207 10 0 BDAERO Cc1cccc2[nH]c([C@@H]([NH3+])[C@@H](C)O)nc21 ZINC000043598372 188152216 /nfs/dbraw/zinc/15/22/16/188152216.db2.gz UXYSKTXTSZPJDC-APPZFPTMSA-N 1 0 205.261 1.252 10 0 BDAERO COc1ccc([C@@H](C)[NH2+]C2COC2)cc1OC ZINC000113255994 188153877 /nfs/dbraw/zinc/15/38/77/188153877.db2.gz DDGNCXVPDCVTKW-SECBINFHSA-N 1 0 237.299 1.753 10 0 BDAERO C([NH2+]C1CCSCC1)[C@@H]1[C@H]2COC[C@H]21 ZINC000306388244 188155354 /nfs/dbraw/zinc/15/53/54/188155354.db2.gz VFHJVVTXEUEOOK-RTCCRHLQSA-N 1 0 213.346 1.364 10 0 BDAERO C[C@@H](CC1CCC1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638995551 353237762 /nfs/dbraw/zinc/23/77/62/353237762.db2.gz CYYNCUCCNFUWNA-GXFFZTMASA-N 1 0 224.348 1.823 10 0 BDAERO C(C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2)CN1CCOCC1 ZINC000002499297 188159224 /nfs/dbraw/zinc/15/92/24/188159224.db2.gz CJEZUOKSVUQYRA-BFHYXJOUSA-N 1 0 238.375 1.487 10 0 BDAERO CSc1ccc(N[C@@H](C)CC[NH+](C)C)nn1 ZINC000301353627 188160482 /nfs/dbraw/zinc/16/04/82/188160482.db2.gz JRXSWFXEQHPYNY-VIFPVBQESA-N 1 0 240.376 1.951 10 0 BDAERO CC(C)(O)C[N@@H+]1CCC[C@H](N2CCCCC2)C1 ZINC000111232424 188162328 /nfs/dbraw/zinc/16/23/28/188162328.db2.gz CABONJNTCSHJFR-ZDUSSCGKSA-N 1 0 240.391 1.708 10 0 BDAERO C([NH2+]C(C1CC1)C1CC1)[C@@H]1[C@H]2COC[C@H]21 ZINC000308861057 188164970 /nfs/dbraw/zinc/16/49/70/188164970.db2.gz VEUDYZSOXDJNSS-CNDDSTCGSA-N 1 0 207.317 1.657 10 0 BDAERO CC(C)[NH2+]C[C@H](O)c1ccnn1C(C)C ZINC000300733847 538111672 /nfs/dbraw/zinc/11/16/72/538111672.db2.gz FMTSGUOTJXRUNZ-NSHDSACASA-N 1 0 211.309 1.495 10 0 BDAERO O=c1[nH]c2c(c3ccccc13)C[NH2+]CC2 ZINC000013536318 188165759 /nfs/dbraw/zinc/16/57/59/188165759.db2.gz GJAHAFVXSLLAOG-UHFFFAOYSA-N 1 0 200.241 1.174 10 0 BDAERO C/C=C1\CCc2[nH]c(=O)ccc2[C@]1(C)[NH3+] ZINC000013447151 188165887 /nfs/dbraw/zinc/16/58/87/188165887.db2.gz RSCGADMLEAWHFG-STWLFGJUSA-N 1 0 204.273 1.854 10 0 BDAERO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCF ZINC000309529938 188168280 /nfs/dbraw/zinc/16/82/80/188168280.db2.gz VTHAOKVAZQDYJF-UWVGGRQHSA-N 1 0 216.300 1.096 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000309823336 188169431 /nfs/dbraw/zinc/16/94/31/188169431.db2.gz WVCKWFKUTASCGD-IJLUTSLNSA-N 1 0 222.332 1.552 10 0 BDAERO CC(C)C[C@@H](C)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000300887895 188171331 /nfs/dbraw/zinc/17/13/31/188171331.db2.gz JNWGTOHGCDKORD-VXGBXAGGSA-N 1 0 215.337 1.362 10 0 BDAERO Cc1ccc2c(c1)CCN1CC[NH2+]C[C@@H]21 ZINC000019788464 188173463 /nfs/dbraw/zinc/17/34/63/188173463.db2.gz IETPXPQXUQSRSB-ZDUSSCGKSA-N 1 0 202.301 1.497 10 0 BDAERO CC(C)[C@H](C)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236631552 188149303 /nfs/dbraw/zinc/14/93/03/188149303.db2.gz VIWJWJDSWWIEJC-NEPJUHHUSA-N 1 0 226.364 1.784 10 0 BDAERO CC(C)([NH3+])c1noc(-c2ccncc2)n1 ZINC000041052845 188150038 /nfs/dbraw/zinc/15/00/38/188150038.db2.gz CGQFONYPBFOEAD-UHFFFAOYSA-N 1 0 204.233 1.325 10 0 BDAERO CC(C)=CC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000266214588 188195410 /nfs/dbraw/zinc/19/54/10/188195410.db2.gz QRJJEKXFRCOYPS-QWRGUYRKSA-N 1 0 210.321 1.361 10 0 BDAERO CC(C)[N@H+](C)C[C@@H](N)Cc1ccccc1 ZINC000020073214 188175305 /nfs/dbraw/zinc/17/53/05/188175305.db2.gz KZKXNDIHBMSAAR-ZDUSSCGKSA-N 1 0 206.333 1.897 10 0 BDAERO Cn1nc(-c2ccc(Cl)s2)nc1C[NH3+] ZINC000082541341 188177702 /nfs/dbraw/zinc/17/77/02/188177702.db2.gz MDTXCNPCBJCGLQ-UHFFFAOYSA-N 1 0 228.708 1.656 10 0 BDAERO CC(C)C[C@@H]1[NH2+]CC[C@H]1c1cnn(C)c1 ZINC000054928980 188178132 /nfs/dbraw/zinc/17/81/32/188178132.db2.gz ILSGHAUYRCCVSR-RYUDHWBXSA-N 1 0 207.321 1.912 10 0 BDAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1cccc(O)c1 ZINC000054929238 188178207 /nfs/dbraw/zinc/17/82/07/188178207.db2.gz ZXQAYFOTJOCJOQ-NEPJUHHUSA-N 1 0 209.289 1.799 10 0 BDAERO C[C@H]1[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)CCC[C@@H]1C ZINC000022162756 188179793 /nfs/dbraw/zinc/17/97/93/188179793.db2.gz GJEADLQAHJGJGM-IRCOFANPSA-N 1 0 245.388 1.588 10 0 BDAERO Cc1ccc2c(c1)C[C@@H](C1=[NH+]CCN1)O2 ZINC000027647798 188180327 /nfs/dbraw/zinc/18/03/27/188180327.db2.gz POXGLWJZPJYBIT-NSHDSACASA-N 1 0 202.257 1.300 10 0 BDAERO C[C@@H]1C[C@H](C)[C@@H]2[C@H](C1)[NH2+]C[C@@H](C)[S@]2=O ZINC000252194796 363210274 /nfs/dbraw/zinc/21/02/74/363210274.db2.gz VJOPYUXHEUIIKL-JXRMBKEESA-N 1 0 215.362 1.530 10 0 BDAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)[nH]n1 ZINC000247243668 188191564 /nfs/dbraw/zinc/19/15/64/188191564.db2.gz NEWMVSYEEVEKGT-GHMZBOCLSA-N 1 0 248.330 1.027 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1nccs1 ZINC000084223473 538113706 /nfs/dbraw/zinc/11/37/06/538113706.db2.gz RQBARPUEIZXNGH-IUCAKERBSA-N 1 0 212.318 1.394 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)C1CC1 ZINC000122708340 324054534 /nfs/dbraw/zinc/05/45/34/324054534.db2.gz KPKOEHYBUXPGEB-GHMZBOCLSA-N 1 0 220.320 1.891 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CCCOC1 ZINC000381757055 538115465 /nfs/dbraw/zinc/11/54/65/538115465.db2.gz SKLSBWDPEVVMDZ-LOWDOPEQSA-N 1 0 227.348 1.695 10 0 BDAERO CCc1nc(CC[NH2+][C@@H](C)CCOC)no1 ZINC000336772759 353326671 /nfs/dbraw/zinc/32/66/71/353326671.db2.gz VQWMCZNRHZEKTG-VIFPVBQESA-N 1 0 227.308 1.189 10 0 BDAERO O[C@@H](c1ncc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000223194421 353339161 /nfs/dbraw/zinc/33/91/61/353339161.db2.gz GUFRCWZUIXTBGD-IYSWYEEDSA-N 1 0 218.709 1.582 10 0 BDAERO [NH3+][C@H]1C[C@H]1c1ccc(Br)cn1 ZINC000130024678 353339210 /nfs/dbraw/zinc/33/92/10/353339210.db2.gz CKVMIGWMMNHTJR-RQJHMYQMSA-N 1 0 213.078 1.659 10 0 BDAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCOCC1 ZINC000165414384 353352308 /nfs/dbraw/zinc/35/23/08/353352308.db2.gz BXSPPFLGUQXZQK-AAEUAGOBSA-N 1 0 227.348 1.816 10 0 BDAERO Fc1cccc(CC[NH2+]Cc2ncccn2)c1 ZINC000054459229 180995666 /nfs/dbraw/zinc/99/56/66/180995666.db2.gz NPQCPYLQJDITHO-UHFFFAOYSA-N 1 0 231.274 1.948 10 0 BDAERO N#Cc1cnccc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000399022358 353694028 /nfs/dbraw/zinc/69/40/28/353694028.db2.gz HXHVCAURANVOQX-QWRGUYRKSA-N 1 0 216.288 1.057 10 0 BDAERO Fc1cnc(C2C[NH2+]C2)c(Br)c1 ZINC000095831281 181017404 /nfs/dbraw/zinc/01/74/04/181017404.db2.gz IFXSMNAZTZYYOM-UHFFFAOYSA-N 1 0 231.068 1.670 10 0 BDAERO Fc1cnc(OCC[C@H]2CCCC[NH2+]2)nc1 ZINC000095072036 181017976 /nfs/dbraw/zinc/01/79/76/181017976.db2.gz UZKJXJVGQOKBLR-SNVBAGLBSA-N 1 0 225.267 1.527 10 0 BDAERO C[N@@H+]1C[C@@H](Cc2ccccc2)C[C@@H]1CO ZINC000606303298 353858506 /nfs/dbraw/zinc/85/85/06/353858506.db2.gz BBHGSTBVDHVQRR-QWHCGFSZSA-N 1 0 205.301 1.542 10 0 BDAERO CN1C(=O)N(Cc2ccccc2)[C@H]2CC[NH2+]C[C@@H]21 ZINC000606303242 353858571 /nfs/dbraw/zinc/85/85/71/353858571.db2.gz NMSCRZDHTJGWDZ-STQMWFEESA-N 1 0 245.326 1.285 10 0 BDAERO Cl/C=C\C[NH2+][C@@H]1CN2CCC1CC2 ZINC000308102648 353879641 /nfs/dbraw/zinc/87/96/41/353879641.db2.gz JJTBVMIGWGSAPT-GAGJOLBNSA-N 1 0 200.713 1.423 10 0 BDAERO CCOC(=O)C[N@H+](CC)C[C@@H]1CCC[C@@H](O)C1 ZINC000383662240 354806030 /nfs/dbraw/zinc/80/60/30/354806030.db2.gz JRMQZMLVPFEXOI-VXGBXAGGSA-N 1 0 243.347 1.423 10 0 BDAERO CCOC(=O)C[N@H+](CC)C[C@@H]1CCC[C@H](O)C1 ZINC000383662237 354806297 /nfs/dbraw/zinc/80/62/97/354806297.db2.gz JRMQZMLVPFEXOI-NEPJUHHUSA-N 1 0 243.347 1.423 10 0 BDAERO CCc1cnc(CNCC[C@H](C)[NH3+])s1 ZINC000234147685 363415598 /nfs/dbraw/zinc/41/55/98/363415598.db2.gz LAPIHGVXYHVRQW-QMMMGPOBSA-N 1 0 213.350 1.532 10 0 BDAERO C[C@]1([NH3+])CCN(c2nc(Cl)cs2)C1 ZINC000405721776 354961151 /nfs/dbraw/zinc/96/11/51/354961151.db2.gz INBXZYNSZATDHY-QMMMGPOBSA-N 1 0 217.725 1.724 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccns2)C1 ZINC000639241317 355226798 /nfs/dbraw/zinc/22/67/98/355226798.db2.gz JNKFSQAAAXHGAW-RKDXNWHRSA-N 1 0 212.318 1.346 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CNc1nccnc1C(C)C ZINC000413025304 191343130 /nfs/dbraw/zinc/34/31/30/191343130.db2.gz QCGWCPRTWQEEBD-GFCCVEGCSA-N 1 0 248.374 1.918 10 0 BDAERO CC(C)c1nccnc1NCC[N@@H+](C)C(C)C ZINC000413113643 191354726 /nfs/dbraw/zinc/35/47/26/191354726.db2.gz SDISFQOOEDXJHA-UHFFFAOYSA-N 1 0 236.363 1.774 10 0 BDAERO CC[N@@H+]1CC[C@H](Nc2ncnc3[nH]ccc32)C1 ZINC000413572801 191394570 /nfs/dbraw/zinc/39/45/70/191394570.db2.gz RLZYULJWPLQOAV-VIFPVBQESA-N 1 0 231.303 1.464 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2ncnc3[nH]ccc32)C1 ZINC000413572800 191395420 /nfs/dbraw/zinc/39/54/20/191395420.db2.gz RLZYULJWPLQOAV-SECBINFHSA-N 1 0 231.303 1.464 10 0 BDAERO NC(=[NH2+])CCCOCc1ccc2c(c1)OCO2 ZINC000019518891 181186291 /nfs/dbraw/zinc/18/62/91/181186291.db2.gz JVABGTSDGGUIMC-UHFFFAOYSA-N 1 0 236.271 1.648 10 0 BDAERO NC(=[NH2+])Cc1ccc(OCCn2cccn2)cc1 ZINC000049314696 181187553 /nfs/dbraw/zinc/18/75/53/181187553.db2.gz PVRIVORMZSRXJP-UHFFFAOYSA-N 1 0 244.298 1.441 10 0 BDAERO NC(=[NH2+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072266128 181192201 /nfs/dbraw/zinc/19/22/01/181192201.db2.gz VAIVSKGFZNXHER-NSHDSACASA-N 1 0 203.289 1.444 10 0 BDAERO C[C@@H]1CCS[C@@]2(CCC[N@H+](C)C2)N1 ZINC000134357686 355502169 /nfs/dbraw/zinc/50/21/69/355502169.db2.gz NWQIVIVCMRTOGY-NXEZZACHSA-N 1 0 200.351 1.523 10 0 BDAERO NC(=[NH2+])c1ccc(OC[C@H]2CCCO2)c(F)c1 ZINC000036888015 181194970 /nfs/dbraw/zinc/19/49/70/181194970.db2.gz HYYWFBZMUFDBME-SECBINFHSA-N 1 0 238.262 1.668 10 0 BDAERO NC(=[NH2+])c1ccc(OC[C@H]2CCCCO2)cc1 ZINC000019866260 181195450 /nfs/dbraw/zinc/19/54/50/181195450.db2.gz PLCZXEMEWHXQMZ-GFCCVEGCSA-N 1 0 234.299 1.919 10 0 BDAERO NC(=[NH2+])c1ccccc1OC[C@H]1CCOC1 ZINC000049688793 181196049 /nfs/dbraw/zinc/19/60/49/181196049.db2.gz OPAJECOKXVMELJ-VIFPVBQESA-N 1 0 220.272 1.386 10 0 BDAERO CCC1(CC)CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000335823482 355544615 /nfs/dbraw/zinc/54/46/15/355544615.db2.gz UHPCPYGWFCFTDW-WDEREUQCSA-N 1 0 242.338 1.725 10 0 BDAERO C[C@H](C[NH3+])Sc1cc(N)cc(F)c1 ZINC000160246631 355655595 /nfs/dbraw/zinc/65/55/95/355655595.db2.gz YBYAYVQMAAZREQ-ZCFIWIBFSA-N 1 0 200.282 1.847 10 0 BDAERO CC[N@@H+]1CC[C@@H](N[C@H](C)c2nccn2C)C1 ZINC000389117693 355697845 /nfs/dbraw/zinc/69/78/45/355697845.db2.gz BOWKROGYXSOTLW-GHMZBOCLSA-N 1 0 222.336 1.165 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)COC(C)(C)C)C1 ZINC000389154536 355739227 /nfs/dbraw/zinc/73/92/27/355739227.db2.gz KIGGPXRWTYDHQM-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2nc(C)ccc2O)C1 ZINC000389195650 355837434 /nfs/dbraw/zinc/83/74/34/355837434.db2.gz XAXDBQRUOVBTGX-NSHDSACASA-N 1 0 235.331 1.279 10 0 BDAERO C[C@@H](C(=O)N1CC[C@@H](C)[C@H]([NH3+])C1)C(C)(C)C ZINC000399208159 355851862 /nfs/dbraw/zinc/85/18/62/355851862.db2.gz ODVZIGOFJIZZQL-OUAUKWLOSA-N 1 0 226.364 1.864 10 0 BDAERO NC(=O)C[NH2+][C@H]1CCCc2sccc21 ZINC000061324174 181236313 /nfs/dbraw/zinc/23/63/13/181236313.db2.gz MXQLIOYEEZBGQS-QMMMGPOBSA-N 1 0 210.302 1.200 10 0 BDAERO NC(=O)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000035048069 181236666 /nfs/dbraw/zinc/23/66/66/181236666.db2.gz NZIHIYRQVOCCMU-VIFPVBQESA-N 1 0 240.303 1.438 10 0 BDAERO NC(=O)CC[C@H]([NH3+])c1ccc(F)cc1F ZINC000037483773 181227556 /nfs/dbraw/zinc/22/75/56/181227556.db2.gz ONYSSOMIOAKWQA-VIFPVBQESA-N 1 0 214.215 1.230 10 0 BDAERO NC(=O)C[N@H+](Cc1ccccc1N)C1CCCC1 ZINC000035081238 181230010 /nfs/dbraw/zinc/23/00/10/181230010.db2.gz QFBYVTXWSSLJKQ-UHFFFAOYSA-N 1 0 247.342 1.499 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccccc1OC(F)(F)F ZINC000020578124 181242328 /nfs/dbraw/zinc/24/23/28/181242328.db2.gz OONSPSFLCJYUKI-SSDOTTSWSA-N 1 0 248.204 1.460 10 0 BDAERO CC1CC(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)C1 ZINC000379467755 358500583 /nfs/dbraw/zinc/50/05/83/358500583.db2.gz YVPHTEFXCGMRLG-SEQHWMEXSA-N 1 0 210.321 1.241 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1cccc(Br)c1 ZINC000020578010 181245182 /nfs/dbraw/zinc/24/51/82/181245182.db2.gz PZWWNIVOASGHHU-QMMMGPOBSA-N 1 0 243.104 1.324 10 0 BDAERO Cc1nn(C)cc1[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000087409274 491087442 /nfs/dbraw/zinc/08/74/42/491087442.db2.gz QSBJCLXXSIXGBC-JQWIXIFHSA-N 1 0 237.347 1.948 10 0 BDAERO C[NH2+]CCN(C)Cc1nccn1C(C)C ZINC000420334145 192213881 /nfs/dbraw/zinc/21/38/81/192213881.db2.gz GCADCINIGAZGKQ-UHFFFAOYSA-N 1 0 210.325 1.115 10 0 BDAERO NC(=O)[C@@H]1CCC=CC[N@H+](Cc2ccccc2)C1 ZINC000020286464 181266032 /nfs/dbraw/zinc/26/60/32/181266032.db2.gz ANCWJWJAKYSJLJ-CQSZACIVSA-N 1 0 244.338 1.940 10 0 BDAERO CC(C)OCCCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000420354529 192219828 /nfs/dbraw/zinc/21/98/28/192219828.db2.gz BOXXJTNZILQNOO-WDEREUQCSA-N 1 0 200.326 1.081 10 0 BDAERO CC(C)OCCCN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000420354527 192220459 /nfs/dbraw/zinc/22/04/59/192220459.db2.gz BOXXJTNZILQNOO-QWRGUYRKSA-N 1 0 200.326 1.081 10 0 BDAERO Cn1cccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000140072912 356453486 /nfs/dbraw/zinc/45/34/86/356453486.db2.gz DTBFCEWYALMPKK-LLVKDONJSA-N 1 0 207.321 1.196 10 0 BDAERO NC(=O)[C@@]1([NH2+]C2CCCCC2)CCCSC1 ZINC000061590457 181275827 /nfs/dbraw/zinc/27/58/27/181275827.db2.gz SUYXDZREWJPYNF-GFCCVEGCSA-N 1 0 242.388 1.660 10 0 BDAERO [NH3+]C1(CNc2ccnc3cccnc32)CCC1 ZINC000379222350 356435471 /nfs/dbraw/zinc/43/54/71/356435471.db2.gz UPDYZXUXDJYWNR-UHFFFAOYSA-N 1 0 228.299 1.345 10 0 BDAERO NC(=O)[C@H]([NH3+])c1cccc2ccccc21 ZINC000037460209 181276648 /nfs/dbraw/zinc/27/66/48/181276648.db2.gz MDERNOCMCBBXEE-LLVKDONJSA-N 1 0 200.241 1.325 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)nc1 ZINC000087782295 491091989 /nfs/dbraw/zinc/09/19/89/491091989.db2.gz ZMAAEJJJFPZNMS-AAEUAGOBSA-N 1 0 220.316 1.783 10 0 BDAERO NC(=O)[C@H]([NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000037942953 181277844 /nfs/dbraw/zinc/27/78/44/181277844.db2.gz WHRYSALWTBRSAJ-VXGBXAGGSA-N 1 0 240.347 1.189 10 0 BDAERO CC(C)n1ccnc1CN1CC[NH2+][C@H](C)[C@H]1C ZINC000336192997 134124412 /nfs/dbraw/zinc/12/44/12/134124412.db2.gz HPJGSGXIZRRSQN-VXGBXAGGSA-N 1 0 236.363 1.646 10 0 BDAERO C[NH2+]CC(=O)c1cscc1Br ZINC000168184418 356542273 /nfs/dbraw/zinc/54/22/73/356542273.db2.gz RGJUCEVNQZUWDU-UHFFFAOYSA-N 1 0 234.118 1.913 10 0 BDAERO COC(=O)N1CCCCC[C@H]1CC[NH3+] ZINC000216008200 363475154 /nfs/dbraw/zinc/47/51/54/363475154.db2.gz NVDLZNLCNBMHDE-VIFPVBQESA-N 1 0 200.282 1.346 10 0 BDAERO CCCc1nccnc1N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630090592 363492538 /nfs/dbraw/zinc/49/25/38/363492538.db2.gz CIQSQMVEHZXISU-MNOVXSKESA-N 1 0 234.347 1.460 10 0 BDAERO COc1cccnc1N1CC[NH2+]C(C)(C)C1 ZINC000160186518 356582566 /nfs/dbraw/zinc/58/25/66/356582566.db2.gz VLWNTKLUHPSUOO-UHFFFAOYSA-N 1 0 221.304 1.278 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCN2CCC[C@@H]2C1 ZINC000162897656 202093416 /nfs/dbraw/zinc/09/34/16/202093416.db2.gz FVEBWPZRRNKHHO-GFCCVEGCSA-N 1 0 226.364 1.318 10 0 BDAERO CC(C)C(=O)NC[C@H]1[NH2+]CCOc2ccccc21 ZINC000675058029 538480616 /nfs/dbraw/zinc/48/06/16/538480616.db2.gz QDDHTXYYSZWHHP-GFCCVEGCSA-N 1 0 248.326 1.482 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](CO)O1 ZINC000675059220 538484182 /nfs/dbraw/zinc/48/41/82/538484182.db2.gz MGFMKRBRPRYLBC-GRYCIOLGSA-N 1 0 213.321 1.401 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1OC ZINC000630094909 363541670 /nfs/dbraw/zinc/54/16/70/363541670.db2.gz ZVGOVNDACISMRF-VHSXEESVSA-N 1 0 221.304 1.643 10 0 BDAERO COc1ccccc1[C@H]1CO[C@H](C[NH3+])C1 ZINC000675058355 538481300 /nfs/dbraw/zinc/48/13/00/538481300.db2.gz BFJNOEGVUIHKHO-ZJUUUORDSA-N 1 0 207.273 1.526 10 0 BDAERO COc1cccc([C@@H]2CC[C@@H](C[NH3+])OC2)c1 ZINC000675058572 538481826 /nfs/dbraw/zinc/48/18/26/538481826.db2.gz MGBBNRMBZQDMGE-YPMHNXCESA-N 1 0 221.300 1.917 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@]1(C)CCCO1 ZINC000389414446 356648869 /nfs/dbraw/zinc/64/88/69/356648869.db2.gz SQWWDUSABYUREB-JQWIXIFHSA-N 1 0 215.337 1.552 10 0 BDAERO CCC[C@@]1(C[NH3+])CN(C(=O)CC2CC2)CCO1 ZINC000675059110 538482834 /nfs/dbraw/zinc/48/28/34/538482834.db2.gz KPWQWGQIXSTCPW-CYBMUJFWSA-N 1 0 240.347 1.143 10 0 BDAERO CCC[C@@]1(CNC(=O)C2CCC2)C[NH2+]CCO1 ZINC000675059149 538483030 /nfs/dbraw/zinc/48/30/30/538483030.db2.gz LUIHOPYXEFLMSV-ZDUSSCGKSA-N 1 0 240.347 1.061 10 0 BDAERO C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CC[C@H](CO)O2)C1 ZINC000675059095 538483218 /nfs/dbraw/zinc/48/32/18/538483218.db2.gz KEFAAQKCGKYXCL-ZDEQEGDKSA-N 1 0 227.348 1.504 10 0 BDAERO C[NH2+]Cc1cc(NC(=O)OC(C)(C)C)nn1C ZINC000675051289 538474163 /nfs/dbraw/zinc/47/41/63/538474163.db2.gz PBBQJUOWTNXOIU-UHFFFAOYSA-N 1 0 240.307 1.487 10 0 BDAERO CC1CCC([NH2+][C@H]2CCCN(CCO)C2)CC1 ZINC000384399438 356640161 /nfs/dbraw/zinc/64/01/61/356640161.db2.gz UECNCJAHWLQIQJ-RUXDESIVSA-N 1 0 240.391 1.611 10 0 BDAERO Cc1ccoc1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384402209 356640204 /nfs/dbraw/zinc/64/02/04/356640204.db2.gz CUXWJPNTZBDHFS-LBPRGKRZSA-N 1 0 238.331 1.134 10 0 BDAERO CC(C)(C)C(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675055586 538475634 /nfs/dbraw/zinc/47/56/34/538475634.db2.gz WXAPXKCBKLRAAD-UHFFFAOYSA-N 1 0 240.347 1.012 10 0 BDAERO CCOc1ccc([C@@H](C)[NH2+]CCOC)o1 ZINC000675056710 538478855 /nfs/dbraw/zinc/47/88/55/538478855.db2.gz OLQVAVBCWFGHBS-SECBINFHSA-N 1 0 213.277 1.975 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056577 538478866 /nfs/dbraw/zinc/47/88/66/538478866.db2.gz SOCBCAISQUZOFA-ZWNOBZJWSA-N 1 0 224.348 1.762 10 0 BDAERO [NH3+]Cc1cc2cc(F)c(F)c(F)c2[nH]c1=O ZINC000675067297 538493753 /nfs/dbraw/zinc/49/37/53/538493753.db2.gz FAXSQGRZIXFOSP-UHFFFAOYSA-N 1 0 228.173 1.816 10 0 BDAERO Cc1cc(CC2=C[C@@H](O)C[NH2+]C2)cs1 ZINC000675076739 538511245 /nfs/dbraw/zinc/51/12/45/538511245.db2.gz GEBBPBSFRKRFNZ-LLVKDONJSA-N 1 0 209.314 1.490 10 0 BDAERO CC(C)CC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675069867 538498965 /nfs/dbraw/zinc/49/89/65/538498965.db2.gz IZRPCCHUYRCNMU-KKOKHZNYSA-N 1 0 224.348 1.522 10 0 BDAERO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000389438426 356670641 /nfs/dbraw/zinc/67/06/41/356670641.db2.gz NDSZWJSXNGOUHA-GRYCIOLGSA-N 1 0 234.347 1.573 10 0 BDAERO CC(C)CC[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000675070099 538499905 /nfs/dbraw/zinc/49/99/05/538499905.db2.gz LNGACBFSEFZDHC-AWEZNQCLSA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)[C@](C)(O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000168039417 134155946 /nfs/dbraw/zinc/15/59/46/134155946.db2.gz INTZWGOWOHDSER-GRYCIOLGSA-N 1 0 213.321 1.257 10 0 BDAERO CC1(C(=O)N[C@@H]2C[C@@H]3C[C@H](C[NH3+])C[C@@H]23)CC1 ZINC000675070954 538501972 /nfs/dbraw/zinc/50/19/72/538501972.db2.gz UXSKWCLEFMJFGS-UKKRHICBSA-N 1 0 222.332 1.276 10 0 BDAERO CC(=O)c1cccc(NC2=[NH+]CCN2)c1 ZINC000675072352 538502838 /nfs/dbraw/zinc/50/28/38/538502838.db2.gz DJXBMKLAELASAE-UHFFFAOYSA-N 1 0 203.245 1.260 10 0 BDAERO CC[C@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000166160456 491100502 /nfs/dbraw/zinc/10/05/02/491100502.db2.gz NATXNKLQOBHHLK-QWRGUYRKSA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)(C)NC(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675073871 538506411 /nfs/dbraw/zinc/50/64/11/538506411.db2.gz OFKLHHWRNWNJIJ-CABZTGNLSA-N 1 0 225.336 1.226 10 0 BDAERO CC(C)(C)OC(=O)c1cnc(C2([NH3+])CCC2)nc1 ZINC000675074551 538507376 /nfs/dbraw/zinc/50/73/76/538507376.db2.gz ZNKTZYLYZXJGIA-UHFFFAOYSA-N 1 0 249.314 1.770 10 0 BDAERO CC(C)CNC(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675069008 538497569 /nfs/dbraw/zinc/49/75/69/538497569.db2.gz FWVBAAVLHDTMNM-JQWIXIFHSA-N 1 0 225.336 1.084 10 0 BDAERO N[C@H]1C=C(Cc2ccc(Cl)s2)C[NH2+]C1 ZINC000675077583 538513285 /nfs/dbraw/zinc/51/32/85/538513285.db2.gz GHJJAAKOZKSDES-QMMMGPOBSA-N 1 0 228.748 1.801 10 0 BDAERO Cc1nc(CC2=C[C@H](N)C[NH2+]C2)sc1C ZINC000675077413 538513344 /nfs/dbraw/zinc/51/33/44/538513344.db2.gz DVVMZTJLSQZNBC-JTQLQIEISA-N 1 0 223.345 1.159 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(Cl)cc1F ZINC000083557754 538513474 /nfs/dbraw/zinc/51/34/74/538513474.db2.gz MFUUPAPSIIZTGQ-SECBINFHSA-N 1 0 203.644 1.861 10 0 BDAERO O[C@@H]1C=C(CCc2cccs2)C[NH2+]C1 ZINC000675078000 538515325 /nfs/dbraw/zinc/51/53/25/538515325.db2.gz UNOZJKQUHYOCGQ-SNVBAGLBSA-N 1 0 209.314 1.571 10 0 BDAERO O[C@@H]1C=C(Cc2ccc(Cl)cc2)C[NH2+]C1 ZINC000675078607 538516212 /nfs/dbraw/zinc/51/62/12/538516212.db2.gz ZPVHQFUVNGLKSO-GFCCVEGCSA-N 1 0 223.703 1.773 10 0 BDAERO N[C@@H]1C=C(c2cccc(Cl)c2)C[NH2+]C1 ZINC000675078784 538516807 /nfs/dbraw/zinc/51/68/07/538516807.db2.gz SOCGLLGQJBUXDM-LLVKDONJSA-N 1 0 208.692 1.654 10 0 BDAERO N[C@@H]1C=C(CC[C@H]2CCCCO2)C[NH2+]C1 ZINC000675079127 538518159 /nfs/dbraw/zinc/51/81/59/538518159.db2.gz WQKRILCXZDSKIG-VXGBXAGGSA-N 1 0 210.321 1.193 10 0 BDAERO F[C@@H]1C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000675082230 538523194 /nfs/dbraw/zinc/52/31/94/538523194.db2.gz FUHUUQVUPORYAW-VHSXEESVSA-N 1 0 223.247 1.830 10 0 BDAERO Cc1nc(CC2=C[C@@H](O)C[NH2+]C2)c(C)s1 ZINC000675077318 538512368 /nfs/dbraw/zinc/51/23/68/538512368.db2.gz LEEKUKXTCAMKDP-SNVBAGLBSA-N 1 0 224.329 1.193 10 0 BDAERO CC(C)Cc1nc(C[C@H]2CC[NH2+]C2)n(C)n1 ZINC000084381295 538532559 /nfs/dbraw/zinc/53/25/59/538532559.db2.gz XHQWDACCWULHKT-SNVBAGLBSA-N 1 0 222.336 1.166 10 0 BDAERO C(CN1C[C@H]2CCC[C@@H]2C1)[NH2+]CC1CC1 ZINC000126303953 538532736 /nfs/dbraw/zinc/53/27/36/538532736.db2.gz CLCUXYNUUPVWLA-CHWSQXEVSA-N 1 0 208.349 1.718 10 0 BDAERO C[C@H](CC[NH3+])Nc1ncc(F)cc1F ZINC000160389193 356697644 /nfs/dbraw/zinc/69/76/44/356697644.db2.gz HSXLWYCSJKFTEZ-ZCFIWIBFSA-N 1 0 201.220 1.509 10 0 BDAERO O=C(C[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000086499678 538555807 /nfs/dbraw/zinc/55/58/07/538555807.db2.gz WTGUAIWQSMIDQJ-LLVKDONJSA-N 1 0 204.273 1.797 10 0 BDAERO CN(CCC[NH3+])c1ccc(C(F)(F)F)cn1 ZINC000019834393 356705792 /nfs/dbraw/zinc/70/57/92/356705792.db2.gz CWGYKLQZICECDL-UHFFFAOYSA-N 1 0 233.237 1.885 10 0 BDAERO [NH3+][C@H]1CCC(=O)N(c2ccc(F)cc2)C1 ZINC000083987006 538525513 /nfs/dbraw/zinc/52/55/13/538525513.db2.gz ZMADWONGNKYIIV-VIFPVBQESA-N 1 0 208.236 1.280 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000129806613 538578850 /nfs/dbraw/zinc/57/88/50/538578850.db2.gz XTILTGCWDKBXIX-SDDRHHMPSA-N 1 0 226.364 1.784 10 0 BDAERO C[C@H]1CC[NH2+][C@@H](CC(=O)C(F)(F)F)C1 ZINC000130343568 538588707 /nfs/dbraw/zinc/58/87/07/538588707.db2.gz MWLUNMZEMJUPMS-NKWVEPMBSA-N 1 0 209.211 1.896 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1ccsc1)C(N)=O ZINC000223956193 538594660 /nfs/dbraw/zinc/59/46/60/538594660.db2.gz IWFACKOYRWEBSA-SECBINFHSA-N 1 0 212.318 1.348 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2CCC[C@@H](C)[C@@H]2C)C1 ZINC000224719422 538599486 /nfs/dbraw/zinc/59/94/86/538599486.db2.gz UELNKZHKADOCKJ-VOAKCMCISA-N 1 0 226.364 1.484 10 0 BDAERO COC(=O)c1ccc(CCN2CCOCC2)cc1 ZINC000088483944 356715239 /nfs/dbraw/zinc/71/52/39/356715239.db2.gz RLKKVXJIQJPAQD-UHFFFAOYSA-N 1 0 249.310 1.348 10 0 BDAERO C[C@H](O)C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000578187162 366371445 /nfs/dbraw/zinc/37/14/45/366371445.db2.gz RWGGPXUEOJAPRG-IVZWLZJFSA-N 1 0 201.310 1.160 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000389517754 356901565 /nfs/dbraw/zinc/90/15/65/356901565.db2.gz GIKZFHYHQPTRSN-UMSGYPCISA-N 1 0 238.375 1.484 10 0 BDAERO CCOc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)ncn1 ZINC000389729860 357021919 /nfs/dbraw/zinc/02/19/19/357021919.db2.gz OOJWETBTMVFEJM-UWVGGRQHSA-N 1 0 236.319 1.285 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000152307110 357023665 /nfs/dbraw/zinc/02/36/65/357023665.db2.gz OOTLDCMHXHKGLT-ZJUUUORDSA-N 1 0 226.345 1.784 10 0 BDAERO [NH3+]CC[C@H](O)c1cccc(F)c1Br ZINC000156243282 538775043 /nfs/dbraw/zinc/77/50/43/538775043.db2.gz BRLHUOPGHSTHAN-QMMMGPOBSA-N 1 0 248.095 1.970 10 0 BDAERO Cc1ccnc(N[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389732697 357020914 /nfs/dbraw/zinc/02/09/14/357020914.db2.gz RNUCFNZFATZHFO-SCZZXKLOSA-N 1 0 206.293 1.195 10 0 BDAERO [NH3+]C1(C(=O)Cc2cc(F)ccc2F)CC1 ZINC000226433915 357141266 /nfs/dbraw/zinc/14/12/66/357141266.db2.gz LPOXIPOSUOCREE-UHFFFAOYSA-N 1 0 211.211 1.568 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1csnn1 ZINC000123437880 357226880 /nfs/dbraw/zinc/22/68/80/357226880.db2.gz QQXFPHPMCBFALN-NSHDSACASA-N 1 0 240.376 1.454 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000137679285 357232768 /nfs/dbraw/zinc/23/27/68/357232768.db2.gz BGMCQJVBSSMYHQ-STQMWFEESA-N 1 0 247.342 1.756 10 0 BDAERO CN1CCSC[C@H]1[C@H]([NH3+])c1ccsc1 ZINC000300053328 357180897 /nfs/dbraw/zinc/18/08/97/357180897.db2.gz OKTHZQIPGAFPJL-VHSXEESVSA-N 1 0 228.386 1.795 10 0 BDAERO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000393580120 357288050 /nfs/dbraw/zinc/28/80/50/357288050.db2.gz GEPKTLRMHVUHNE-QJPTWQEYSA-N 1 0 229.364 1.677 10 0 BDAERO C[C@H](C[NH2+][C@@H]1C[C@H]1CO)c1ccccc1 ZINC000393611240 357289990 /nfs/dbraw/zinc/28/99/90/357289990.db2.gz OZTFPRAMWDPQAC-KGYLQXTDSA-N 1 0 205.301 1.761 10 0 BDAERO Cc1ccccc1C(=O)[C@H]1C[NH2+]CCO1 ZINC000168844039 357254335 /nfs/dbraw/zinc/25/43/35/357254335.db2.gz KPUTWTDLYJRWIH-LLVKDONJSA-N 1 0 205.257 1.166 10 0 BDAERO COc1cccnc1NCC[C@H]1CC[NH2+]C1 ZINC000160283991 357272892 /nfs/dbraw/zinc/27/28/92/357272892.db2.gz PDBHCXRSLUVNHZ-SNVBAGLBSA-N 1 0 221.304 1.502 10 0 BDAERO CC(C)[C@H](CO)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000394025452 357315243 /nfs/dbraw/zinc/31/52/43/357315243.db2.gz BNVYUEUOVJLCRZ-WDEREUQCSA-N 1 0 217.353 1.248 10 0 BDAERO Cc1cnc(N[C@H](C)C[C@H](C)[NH3+])nc1C ZINC000395321005 357423553 /nfs/dbraw/zinc/42/35/53/357423553.db2.gz UBFBXPVKKNJGQY-DTWKUNHWSA-N 1 0 208.309 1.631 10 0 BDAERO CC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)OC ZINC000382373260 357477737 /nfs/dbraw/zinc/47/77/37/357477737.db2.gz HEUKVJZECTWGBK-HBNTYKKESA-N 1 0 201.310 1.305 10 0 BDAERO C[C@@H]1CC[C@@H](CN2CC[N@@H+]3CCCC[C@@H]3C2)O1 ZINC000188554177 357561376 /nfs/dbraw/zinc/56/13/76/357561376.db2.gz JAIBGEIPTBAPLE-MCIONIFRSA-N 1 0 238.375 1.724 10 0 BDAERO Cn1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000230948587 357586422 /nfs/dbraw/zinc/58/64/22/357586422.db2.gz FANDPXTWVXWZFH-GFCCVEGCSA-N 1 0 235.331 1.174 10 0 BDAERO C(C[N@@H+]1CCCN(C2CC2)CC1)[C@H]1CCCO1 ZINC000188953412 357605156 /nfs/dbraw/zinc/60/51/56/357605156.db2.gz XVTVDLGAPHMBOU-CQSZACIVSA-N 1 0 238.375 1.726 10 0 BDAERO C/C=C(\C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000685939294 538886126 /nfs/dbraw/zinc/88/61/26/538886126.db2.gz ROJZEPYPNMYRPS-PUMWVJNTSA-N 1 0 208.305 1.306 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000685945875 538886998 /nfs/dbraw/zinc/88/69/98/538886998.db2.gz DIMLXDSJCSIJRV-OLZOCXBDSA-N 1 0 204.317 1.789 10 0 BDAERO CC(C)NC(=O)[C@H]1CC12CCC([NH3+])CC2 ZINC000685945803 538887323 /nfs/dbraw/zinc/88/73/23/538887323.db2.gz BFGJZVMKHTWGRI-SQLBVSGCSA-N 1 0 210.321 1.419 10 0 BDAERO CC(C)(C)C(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000685946028 538887500 /nfs/dbraw/zinc/88/75/00/538887500.db2.gz BWTVMUNMCYSYKK-CABZTGNLSA-N 1 0 210.321 1.291 10 0 BDAERO CCC[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000685946303 538888002 /nfs/dbraw/zinc/88/80/02/538888002.db2.gz NSMDEBLYCHSXAV-AEJSXWLSSA-N 1 0 216.300 1.239 10 0 BDAERO CC1(C)CC[NH+]([C@@H]2CCNC[C@@H]2F)CC1 ZINC000685948244 538890139 /nfs/dbraw/zinc/89/01/39/538890139.db2.gz CPXXKMIHTSUWHM-WDEREUQCSA-N 1 0 214.328 1.808 10 0 BDAERO CC[C@@]1(NC(=O)CC(C)C)CCC[NH2+]C1 ZINC000685948131 538890283 /nfs/dbraw/zinc/89/02/83/538890283.db2.gz YJBSIEUMMMTCMA-GFCCVEGCSA-N 1 0 212.337 1.681 10 0 BDAERO CCOc1ccc([C@@H]2CC[NH2+]C[C@H]2N)cc1 ZINC000685948588 538891138 /nfs/dbraw/zinc/89/11/38/538891138.db2.gz QRAFEXXOVXNDQE-QWHCGFSZSA-N 1 0 220.316 1.490 10 0 BDAERO O=C(N[C@]12CC[NH2+][C@H]1CCCC2)C1CC1 ZINC000685948845 538891943 /nfs/dbraw/zinc/89/19/43/538891943.db2.gz HBIZDFAXIDAKGQ-CMPLNLGQSA-N 1 0 208.305 1.187 10 0 BDAERO CCNC(=O)[C@H](C[NH3+])c1cccc(C)c1 ZINC000685949318 538892655 /nfs/dbraw/zinc/89/26/55/538892655.db2.gz PDNDYPSQNLPURW-LLVKDONJSA-N 1 0 206.289 1.173 10 0 BDAERO CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1S(=O)(=O)CC ZINC000685952958 538895316 /nfs/dbraw/zinc/89/53/16/538895316.db2.gz DIWXCQYOADZMQH-MXWKQRLJSA-N 1 0 233.377 1.588 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CC1=CCOCC1 ZINC000397730632 357674612 /nfs/dbraw/zinc/67/46/12/357674612.db2.gz FODJUYMSAPVTCG-ZDUSSCGKSA-N 1 0 243.347 1.100 10 0 BDAERO O=C(OCC1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190871876 357729305 /nfs/dbraw/zinc/72/93/05/357729305.db2.gz LUERPQMIPIMRDG-LLVKDONJSA-N 1 0 224.304 1.313 10 0 BDAERO CC[C@@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000191183645 357739888 /nfs/dbraw/zinc/73/98/88/357739888.db2.gz WRESENDQIGUTHD-MNOVXSKESA-N 1 0 212.337 1.585 10 0 BDAERO CC/C=C/CC[N@@H+]1CCCN(C)C(=O)C1 ZINC000191082735 357748365 /nfs/dbraw/zinc/74/83/65/357748365.db2.gz LEMWHUPYTHEZBQ-SNAWJCMRSA-N 1 0 210.321 1.507 10 0 BDAERO CC[C@@H](C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000191871015 357811051 /nfs/dbraw/zinc/81/10/51/357811051.db2.gz HXXVRXOAXISEOV-NEPJUHHUSA-N 1 0 242.363 1.212 10 0 BDAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000191714335 357789950 /nfs/dbraw/zinc/78/99/50/357789950.db2.gz WADZHKDKACBKLB-SDDRHHMPSA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)=CC[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000192341871 357829917 /nfs/dbraw/zinc/82/99/17/357829917.db2.gz HCFYDDZBKZXTBJ-GFCCVEGCSA-N 1 0 241.331 1.464 10 0 BDAERO C[NH2+]CC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000193131788 357861248 /nfs/dbraw/zinc/86/12/48/357861248.db2.gz IBXKYMGBCWGMOZ-GFCCVEGCSA-N 1 0 235.331 1.298 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC000235355108 357866650 /nfs/dbraw/zinc/86/66/50/357866650.db2.gz VSZFKQDDCKEEEG-MFKMUULPSA-N 1 0 247.342 1.172 10 0 BDAERO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1csnn1 ZINC000398245644 357869679 /nfs/dbraw/zinc/86/96/79/357869679.db2.gz RXWFVXMXYWCQHG-RKDXNWHRSA-N 1 0 226.349 1.188 10 0 BDAERO Cc1ccc(O)c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235653451 357926692 /nfs/dbraw/zinc/92/66/92/357926692.db2.gz UWWFTDNNVIFNNP-ONGXEEELSA-N 1 0 234.299 1.120 10 0 BDAERO CCCCNC(=O)CC[NH2+]CCCC ZINC000034226885 357909962 /nfs/dbraw/zinc/90/99/62/357909962.db2.gz NGVOXRJSXIETGC-UHFFFAOYSA-N 1 0 200.326 1.683 10 0 BDAERO CC(C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190436985 535372326 /nfs/dbraw/zinc/37/23/26/535372326.db2.gz QMLSKSFUNDWBFT-SNVBAGLBSA-N 1 0 210.321 1.385 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000639938976 357945511 /nfs/dbraw/zinc/94/55/11/357945511.db2.gz SXUNVYHBIVKMQI-UTUOFQBUSA-N 1 0 227.348 1.789 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639938366 357948014 /nfs/dbraw/zinc/94/80/14/357948014.db2.gz VAQAGUYEGBRCBB-UJPOAAIJSA-N 1 0 209.333 1.878 10 0 BDAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)[C@@H]1CCCC[C@H]1O ZINC000639956226 357978858 /nfs/dbraw/zinc/97/88/58/357978858.db2.gz ZMWDMTZCFNVYJC-IGQOVBAYSA-N 1 0 241.375 1.773 10 0 BDAERO [NH3+][C@H]1C[C@H](NCCCO)c2ccccc21 ZINC000169234873 134250228 /nfs/dbraw/zinc/25/02/28/134250228.db2.gz YIZGIYGJSUUBQV-RYUDHWBXSA-N 1 0 206.289 1.103 10 0 BDAERO C[C@H](N(C)C(=O)[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000037807087 358086601 /nfs/dbraw/zinc/08/66/01/358086601.db2.gz SLGRUTCWOJYIGP-QWRGUYRKSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000584714859 358159879 /nfs/dbraw/zinc/15/98/79/358159879.db2.gz ZGPMPBQLGJEVIP-WRWGMCAJSA-N 1 0 224.348 1.774 10 0 BDAERO CC1(C)CC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000395230303 491125746 /nfs/dbraw/zinc/12/57/46/491125746.db2.gz UJTUUWSXRNVODE-GXSJLCMTSA-N 1 0 224.348 1.666 10 0 BDAERO NN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000039219482 358220240 /nfs/dbraw/zinc/22/02/40/358220240.db2.gz WAEYKEUXVHQOSI-UHFFFAOYSA-N 1 0 230.315 1.159 10 0 BDAERO CC1([C@H]2CCN(CC[NH3+])c3ccccc32)COC1 ZINC000584612894 358277139 /nfs/dbraw/zinc/27/71/39/358277139.db2.gz SFDQWTSPDNAOBD-ZDUSSCGKSA-N 1 0 246.354 1.976 10 0 BDAERO C[NH+]1CCC([S@](=O)c2ccc(N)cc2)CC1 ZINC000584592954 358251083 /nfs/dbraw/zinc/25/10/83/358251083.db2.gz OVTDDGGWZYCFPN-MRXNPFEDSA-N 1 0 238.356 1.471 10 0 BDAERO CCOC[C@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000132634759 491127337 /nfs/dbraw/zinc/12/73/37/491127337.db2.gz JGIUVYUKGCQFCO-DCAQKATOSA-N 1 0 201.310 1.305 10 0 BDAERO CN(C)[C@@]1(C(=[NH2+])c2ccccc2)CCOC1 ZINC000584632759 358316269 /nfs/dbraw/zinc/31/62/69/358316269.db2.gz XRDRMEUIRIWIFD-ZDUSSCGKSA-N 1 0 218.300 1.775 10 0 BDAERO C[C@H](C[NH3+])N1CC[C@H](CO)c2ccccc21 ZINC000584637465 358322950 /nfs/dbraw/zinc/32/29/50/358322950.db2.gz PVCOJHJPRXKYGI-GHMZBOCLSA-N 1 0 220.316 1.320 10 0 BDAERO COc1ccc2c(c1)CC[C@H]([NH3+])CC2=O ZINC000584640340 358326144 /nfs/dbraw/zinc/32/61/44/358326144.db2.gz ZSTOORMAWLLLII-VIFPVBQESA-N 1 0 205.257 1.542 10 0 BDAERO C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227719 358335895 /nfs/dbraw/zinc/33/58/95/358335895.db2.gz PTDODWRRQPCQQD-QJPTWQEYSA-N 1 0 223.320 1.165 10 0 BDAERO CCC[C@H](C)N(C)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000226688356 358342412 /nfs/dbraw/zinc/34/24/12/358342412.db2.gz UMDMSSIKRIYHHF-HBNTYKKESA-N 1 0 228.336 1.010 10 0 BDAERO C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227811 358335335 /nfs/dbraw/zinc/33/53/35/358335335.db2.gz MLBSJZRQNXPEAE-BFHYXJOUSA-N 1 0 240.391 1.754 10 0 BDAERO COC[C@H](C)[N@@H+]1CCCN(C2CC2)CC1 ZINC000173407435 134274340 /nfs/dbraw/zinc/27/43/40/134274340.db2.gz PHJWEHMTEHXIEG-NSHDSACASA-N 1 0 212.337 1.191 10 0 BDAERO CN(CCC[NH3+])c1nc2ccccc2[nH]1 ZINC000227749932 358362721 /nfs/dbraw/zinc/36/27/21/358362721.db2.gz YIUSGEJXWRQKET-UHFFFAOYSA-N 1 0 204.277 1.348 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCCS1 ZINC000227894560 358366111 /nfs/dbraw/zinc/36/61/11/358366111.db2.gz ZALYYNVLOJQHAO-RYUDHWBXSA-N 1 0 247.404 1.649 10 0 BDAERO CSC1(C[NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000388903832 363608322 /nfs/dbraw/zinc/60/83/22/363608322.db2.gz NYUIXRAMSCXIIO-NXEZZACHSA-N 1 0 215.362 1.775 10 0 BDAERO CO[C@H](C[NH3+])c1ccc(Br)cn1 ZINC000130152583 358445496 /nfs/dbraw/zinc/44/54/96/358445496.db2.gz GERNKPPAQUWLCR-MRVPVSSYSA-N 1 0 231.093 1.490 10 0 BDAERO CC(C)([NH3+])c1nocc1Br ZINC000147609429 358429921 /nfs/dbraw/zinc/42/99/21/358429921.db2.gz UKLFLASEHYQJNZ-UHFFFAOYSA-N 1 0 205.055 1.631 10 0 BDAERO [NH3+]Cc1ccc(CO)c(Br)c1 ZINC000147712426 358430154 /nfs/dbraw/zinc/43/01/54/358430154.db2.gz NYQLMWDUFVQNES-UHFFFAOYSA-N 1 0 216.078 1.400 10 0 BDAERO NC(=O)c1ccc(Cl)cc1N[C@H]1CC[NH2+]C1 ZINC000062785882 181297652 /nfs/dbraw/zinc/29/76/52/181297652.db2.gz WTVXNZPDHNQNIS-QMMMGPOBSA-N 1 0 239.706 1.213 10 0 BDAERO CCn1cc([C@@H]([NH3+])[C@H]2CCSC2)cn1 ZINC000160783717 358553215 /nfs/dbraw/zinc/55/32/15/358553215.db2.gz PSRSBQUNRWYEII-WPRPVWTQSA-N 1 0 211.334 1.656 10 0 BDAERO O=C1CCC[C@H]1C[N@H+]1CCC[C@H](CO)C1 ZINC000053924630 358580640 /nfs/dbraw/zinc/58/06/40/358580640.db2.gz DKNJIDIUTOYUCN-QWRGUYRKSA-N 1 0 211.305 1.060 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1cncc(OCC)n1 ZINC000130524775 358629789 /nfs/dbraw/zinc/62/97/89/358629789.db2.gz KCVBQSRDUVIMIT-SNVBAGLBSA-N 1 0 238.335 1.805 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1ncnc2c1cnn2C ZINC000130558292 358631721 /nfs/dbraw/zinc/63/17/21/358631721.db2.gz KCZALYZZRKLLOJ-VIFPVBQESA-N 1 0 248.334 1.293 10 0 BDAERO Cc1ccc2oc(N(C)[C@@H](C)C[NH3+])nc2c1 ZINC000212295523 358587685 /nfs/dbraw/zinc/58/76/85/358587685.db2.gz FQHXFZLLJGCVEN-VIFPVBQESA-N 1 0 219.288 1.920 10 0 BDAERO C[C@@H]1CN(C(=O)NC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000131026681 358658146 /nfs/dbraw/zinc/65/81/46/358658146.db2.gz TYJBZNHYVCEZQK-ZJUUUORDSA-N 1 0 227.352 1.376 10 0 BDAERO FCCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000131782349 358692466 /nfs/dbraw/zinc/69/24/66/358692466.db2.gz TYKNOTWXVZBPKW-NSHDSACASA-N 1 0 226.299 1.350 10 0 BDAERO CCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000051758757 358761584 /nfs/dbraw/zinc/76/15/84/358761584.db2.gz UGXRAOVGVMMFHE-JTQLQIEISA-N 1 0 224.304 1.765 10 0 BDAERO C[C@H]([NH3+])c1ccncc1Br ZINC000214268004 358768957 /nfs/dbraw/zinc/76/89/57/358768957.db2.gz DJYGWCCHLKHAHP-YFKPBYRVSA-N 1 0 201.067 1.864 10 0 BDAERO CCC[C@@H](C)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000132501749 358727335 /nfs/dbraw/zinc/72/73/35/358727335.db2.gz SLDOPVWALOARDV-MXWKQRLJSA-N 1 0 229.320 1.031 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCNC2=O)ccc1F ZINC000050545743 358733278 /nfs/dbraw/zinc/73/32/78/358733278.db2.gz JNUZMPSNQSLVCG-GFCCVEGCSA-N 1 0 236.290 1.502 10 0 BDAERO O=C(NC1CCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000134990939 358815000 /nfs/dbraw/zinc/81/50/00/358815000.db2.gz ZBRVVIXVDPHZHN-LBPRGKRZSA-N 1 0 237.347 1.419 10 0 BDAERO C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000052102449 358773271 /nfs/dbraw/zinc/77/32/71/358773271.db2.gz YJSGQOXJKYYHQN-RYUDHWBXSA-N 1 0 245.363 1.273 10 0 BDAERO Cn1cc(C[N@@H+]2CCC[C@@H]2CCCO)cn1 ZINC000052762799 358793443 /nfs/dbraw/zinc/79/34/43/358793443.db2.gz PTFLFOSXQYZSDV-GFCCVEGCSA-N 1 0 223.320 1.157 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134548068 358795849 /nfs/dbraw/zinc/79/58/49/358795849.db2.gz RAXVNUURTVCDAW-NXEZZACHSA-N 1 0 228.336 1.058 10 0 BDAERO C[C@@H]([NH2+]CCn1cc(Cl)cn1)[C@@H]1CCCO1 ZINC000053537907 358834994 /nfs/dbraw/zinc/83/49/94/358834994.db2.gz ICMHGIWPZKPIQP-KOLCDFICSA-N 1 0 243.738 1.694 10 0 BDAERO C[C@@H]1COC(=O)[C@@H]1NCc1ccccc1 ZINC000306150330 358871155 /nfs/dbraw/zinc/87/11/55/358871155.db2.gz AXTICQNRVMISPH-MWLCHTKSSA-N 1 0 205.257 1.338 10 0 BDAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000054049089 358850107 /nfs/dbraw/zinc/85/01/07/358850107.db2.gz MWEAGMJNDXXVGH-GFCCVEGCSA-N 1 0 242.363 1.138 10 0 BDAERO CC1(C)OCC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306151356 358916079 /nfs/dbraw/zinc/91/60/79/358916079.db2.gz AUDADSXNHWENBR-LBPRGKRZSA-N 1 0 247.342 1.868 10 0 BDAERO C[C@@H]1OCC[C@@H]1S[C@H]1CC[C@H]([NH3+])C1 ZINC000300335911 358962461 /nfs/dbraw/zinc/96/24/61/358962461.db2.gz GDDZWFNQXFNZCZ-XKNYDFJKSA-N 1 0 201.335 1.777 10 0 BDAERO C[NH2+][C@@H]1CC[C@@H](Sc2ncc[nH]2)[C@H]1C ZINC000300336483 358962551 /nfs/dbraw/zinc/96/25/51/358962551.db2.gz ASFGGCOWWIFOJI-DJLDLDEBSA-N 1 0 211.334 1.888 10 0 BDAERO Cn1nnc(Br)c1[C@H]1[NH2+]CC1(C)C ZINC000306169879 358978967 /nfs/dbraw/zinc/97/89/67/358978967.db2.gz YICHOIZHIGYBMC-ZCFIWIBFSA-N 1 0 245.124 1.248 10 0 BDAERO C[NH2+][C@@H]1CCCN([C@H]2CCS[C@@H]2C)C1 ZINC000300352637 358971297 /nfs/dbraw/zinc/97/12/97/358971297.db2.gz NUVNSEYXCDPTPV-MXWKQRLJSA-N 1 0 214.378 1.564 10 0 BDAERO Cc1csc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000177697391 134301401 /nfs/dbraw/zinc/30/14/01/134301401.db2.gz XOBFHYMINWUURG-JTQLQIEISA-N 1 0 226.345 1.623 10 0 BDAERO CCC[C@H](C(=O)N(C)CC(F)(F)F)[NH+](C)C ZINC000135926848 325433343 /nfs/dbraw/zinc/43/33/43/325433343.db2.gz WTMDJDPQOOLVSC-MRVPVSSYSA-N 1 0 240.269 1.737 10 0 BDAERO CC(C)OCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000061041300 358930958 /nfs/dbraw/zinc/93/09/58/358930958.db2.gz LWCSZJQQUYGSMR-UHFFFAOYSA-N 1 0 226.364 1.582 10 0 BDAERO COC(=O)[C@H]1C[N@H+](C[Si](C)(C)C)C[C@@H](C)O1 ZINC000177289648 134299611 /nfs/dbraw/zinc/29/96/11/134299611.db2.gz QVAQNUHUPBHRPR-NXEZZACHSA-N 1 0 245.395 1.126 10 0 BDAERO C[C@@H]1CSC(NC[C@@H]2CCO[C@H]2C)=[NH+]1 ZINC000300377120 358978199 /nfs/dbraw/zinc/97/81/99/358978199.db2.gz KHNUPURZKCKZTE-VGMNWLOBSA-N 1 0 214.334 1.492 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2C)sn1 ZINC000306160439 358958174 /nfs/dbraw/zinc/95/81/74/358958174.db2.gz FXLXEGPDZDMAAQ-WCBMZHEXSA-N 1 0 212.318 1.719 10 0 BDAERO Cc1cc(N[C@@H](C[NH3+])CC(C)C)n2ncnc2n1 ZINC000070073898 359040429 /nfs/dbraw/zinc/04/04/29/359040429.db2.gz NLTNTKBLYAKKIM-SNVBAGLBSA-N 1 0 248.334 1.218 10 0 BDAERO CS[C@@H]1CCC[C@H]1N1CC[C@H]([NH3+])C1 ZINC000300388085 358981744 /nfs/dbraw/zinc/98/17/44/358981744.db2.gz NRLRLLWGAAQXOK-IVZWLZJFSA-N 1 0 200.351 1.304 10 0 BDAERO CS[C@@H]1CC[C@H](N2CC[C@H]([NH3+])C2)C1 ZINC000300390850 358987485 /nfs/dbraw/zinc/98/74/85/358987485.db2.gz RYSZVOXOMQIFJW-LPEHRKFASA-N 1 0 200.351 1.304 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCOC ZINC000246412266 359079494 /nfs/dbraw/zinc/07/94/94/359079494.db2.gz FHJJFYYLTWPDRG-STQMWFEESA-N 1 0 226.364 1.582 10 0 BDAERO O=C([C@@H]1C[C@H]1C1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246447299 359092592 /nfs/dbraw/zinc/09/25/92/359092592.db2.gz IHOIBCKRVIBQSQ-MELADBBJSA-N 1 0 248.370 1.729 10 0 BDAERO CCCOCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246965420 359178844 /nfs/dbraw/zinc/17/88/44/359178844.db2.gz FXAHGFYFNZFXLO-NEPJUHHUSA-N 1 0 242.363 1.258 10 0 BDAERO CCOC(=O)CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247145424 359196657 /nfs/dbraw/zinc/19/66/57/359196657.db2.gz JVPHJOHMBVCYLF-NEPJUHHUSA-N 1 0 240.347 1.108 10 0 BDAERO CCCC[N@@H+]1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247065994 359191324 /nfs/dbraw/zinc/19/13/24/359191324.db2.gz GFXOLQSJSZILFZ-QWHCGFSZSA-N 1 0 228.380 1.564 10 0 BDAERO C[NH+](C)CC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247067309 359191540 /nfs/dbraw/zinc/19/15/40/359191540.db2.gz VKXAFWVLLCLPPQ-UMVBOHGHSA-N 1 0 244.338 1.250 10 0 BDAERO CC(C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247073411 359192125 /nfs/dbraw/zinc/19/21/25/359192125.db2.gz HOYJBNCSTGJNOX-MNOVXSKESA-N 1 0 225.336 1.273 10 0 BDAERO CCCOCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247533895 359231255 /nfs/dbraw/zinc/23/12/55/359231255.db2.gz XTZDRZQRAJLQFO-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](C[C@H]3CCCO3)C2)cn1 ZINC000247545663 359232776 /nfs/dbraw/zinc/23/27/76/359232776.db2.gz RPENDIVQPVXVRY-DGCLKSJQSA-N 1 0 235.331 1.388 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247886218 359246822 /nfs/dbraw/zinc/24/68/22/359246822.db2.gz DBFVJXTXONINMO-UONOGXRCSA-N 1 0 240.391 1.611 10 0 BDAERO CC[C@H](C(=O)N[C@H](C)[C@H]1CCCO1)[NH+](C)C ZINC000247943464 359249310 /nfs/dbraw/zinc/24/93/10/359249310.db2.gz GWOJKZZLDKZCQA-GMTAPVOTSA-N 1 0 228.336 1.010 10 0 BDAERO CSCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247366984 359216737 /nfs/dbraw/zinc/21/67/37/359216737.db2.gz OYBKFJNBNAWYRG-VHSXEESVSA-N 1 0 230.377 1.194 10 0 BDAERO CC(C)(C[NH3+])c1ncnc2ccsc21 ZINC000306206108 359295507 /nfs/dbraw/zinc/29/55/07/359295507.db2.gz PLWFOJWHMPXRQK-UHFFFAOYSA-N 1 0 207.302 1.928 10 0 BDAERO C[C@H]1CCN(CC=C(Cl)Cl)C[C@H]1[NH3+] ZINC000403463082 359301170 /nfs/dbraw/zinc/30/11/70/359301170.db2.gz MPKQFMOHSBVDSK-JGVFFNPUSA-N 1 0 223.147 1.975 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248332956 359264462 /nfs/dbraw/zinc/26/44/62/359264462.db2.gz FMPMXTWJVVTVQV-POQQGIQPSA-N 1 0 248.370 1.728 10 0 BDAERO COCCCCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248368539 359271274 /nfs/dbraw/zinc/27/12/74/359271274.db2.gz VHOOJKBVMZNVJC-AWEZNQCLSA-N 1 0 240.391 1.973 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1CC=C(Cl)Cl ZINC000403476209 359316911 /nfs/dbraw/zinc/31/69/11/359316911.db2.gz QGLBXSRTECAPRH-NKWVEPMBSA-N 1 0 209.120 1.727 10 0 BDAERO CC[C@@H]([NH2+]Cc1cnn(C)c1C)C(C)(C)O ZINC000292958887 359366427 /nfs/dbraw/zinc/36/64/27/359366427.db2.gz JIHXVWURLTUEKC-LLVKDONJSA-N 1 0 225.336 1.368 10 0 BDAERO CC[NH2+]CC(=O)Nc1ncc(Cl)s1 ZINC000306220382 359340272 /nfs/dbraw/zinc/34/02/72/359340272.db2.gz NXCWQEZPIDNMCA-UHFFFAOYSA-N 1 0 219.697 1.345 10 0 BDAERO FC1(F)CC[C@H](NC2=[NH+]CCS2)C1 ZINC000306222408 359344219 /nfs/dbraw/zinc/34/42/19/359344219.db2.gz WXSICOSFUQQQTK-LURJTMIESA-N 1 0 206.261 1.867 10 0 BDAERO C[NH2+][C@H]1CC[C@H](N2CCC(F)(F)C2)C1 ZINC000306220950 359346835 /nfs/dbraw/zinc/34/68/35/359346835.db2.gz IXMKOOHMPLRNSR-IUCAKERBSA-N 1 0 204.264 1.468 10 0 BDAERO Cc1ccccc1CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404278349 359414580 /nfs/dbraw/zinc/41/45/80/359414580.db2.gz TUWHMQFUKYKCEQ-HUUCEWRRSA-N 1 0 246.354 1.558 10 0 BDAERO COC[C@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000020042029 359419719 /nfs/dbraw/zinc/41/97/19/359419719.db2.gz ZZYMHFOVTNBRNT-NSHDSACASA-N 1 0 236.315 1.558 10 0 BDAERO CC1CC([NH2+]CC2(O)CCSCC2)C1 ZINC000306238998 359396373 /nfs/dbraw/zinc/39/63/73/359396373.db2.gz JFEVUDOQGPKHQL-UHFFFAOYSA-N 1 0 215.362 1.633 10 0 BDAERO O=C(NCc1ccccc1)C1=CC[NH2+]CC1 ZINC000403504936 359401270 /nfs/dbraw/zinc/40/12/70/359401270.db2.gz JKFAMOGLOVDPID-UHFFFAOYSA-N 1 0 216.284 1.223 10 0 BDAERO CC[C@]1([C@H]2CCOC2)[NH2+][C@@H](C)CS1 ZINC000306295979 359538168 /nfs/dbraw/zinc/53/81/68/359538168.db2.gz BTFJHXRKQHVYJY-GUBZILKMSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@H]1C[C@@H]1[C@@H]1[NH2+][C@H](C)C[S@](=O)[C@@H]1C ZINC000306321775 359609097 /nfs/dbraw/zinc/60/90/97/359609097.db2.gz LOAPRUSXHJEKOP-PCFXWBDXSA-N 1 0 201.335 1.140 10 0 BDAERO CCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000623765186 359642248 /nfs/dbraw/zinc/64/22/48/359642248.db2.gz OWWJJLGGMUAFBC-KGLIPLIRSA-N 1 0 235.327 1.488 10 0 BDAERO Cc1ccc(F)c(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000623764939 359631939 /nfs/dbraw/zinc/63/19/39/359631939.db2.gz LVZSSOPIHYODPI-QWHCGFSZSA-N 1 0 239.290 1.374 10 0 BDAERO C[C@@H](Nc1ccc(Br)nc1)[C@H](C)[NH3+] ZINC000306331344 359632198 /nfs/dbraw/zinc/63/21/98/359632198.db2.gz CVHMZOVYDBNPIQ-NKWVEPMBSA-N 1 0 244.136 1.992 10 0 BDAERO FC(F)[C@H]1C[NH2+]CCN1[C@@H]1CCSC1 ZINC000306372240 359705251 /nfs/dbraw/zinc/70/52/51/359705251.db2.gz DBIWNZKBMPGUMB-HTQZYQBOSA-N 1 0 222.304 1.031 10 0 BDAERO O=[S@@](c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000306409953 359799173 /nfs/dbraw/zinc/79/91/73/359799173.db2.gz KLRJXCFMZQIONP-AMIZOPFISA-N 1 0 215.343 1.608 10 0 BDAERO CC(C)([NH3+])[C@H](O)c1occc1Br ZINC000306418296 359827730 /nfs/dbraw/zinc/82/77/30/359827730.db2.gz TVOWFWYVFMRFSB-SSDOTTSWSA-N 1 0 234.093 1.813 10 0 BDAERO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2nccn2C1 ZINC000309130485 491145341 /nfs/dbraw/zinc/14/53/41/491145341.db2.gz QXXAVDKTICOXLB-OUAUKWLOSA-N 1 0 205.305 1.444 10 0 BDAERO C[C@H]1C[NH+]=C(N[C@H]2CCSC2)SC1 ZINC000231360001 359915831 /nfs/dbraw/zinc/91/58/31/359915831.db2.gz XAKPLUSLMVNRJZ-YUMQZZPRSA-N 1 0 216.375 1.820 10 0 BDAERO CC(C)[NH2+]CCCNc1nc2ccccc2n1C ZINC000578610615 366607223 /nfs/dbraw/zinc/60/72/23/366607223.db2.gz IMLJPDVHTXHRDL-UHFFFAOYSA-N 1 0 246.358 1.795 10 0 BDAERO CCn1ccc([C@H]2[NH2+]C[C@@]23CCOC3)c1 ZINC000536956924 360008196 /nfs/dbraw/zinc/00/81/96/360008196.db2.gz APDZJIFOWVEWCR-VXGBXAGGSA-N 1 0 206.289 1.559 10 0 BDAERO CCC(CC)[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000089682231 360034755 /nfs/dbraw/zinc/03/47/55/360034755.db2.gz FENMISXLOAVKGE-ZDUSSCGKSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+]Cc1nc(N(C(C)C)C(C)C)n[nH]1 ZINC000536956753 360007637 /nfs/dbraw/zinc/00/76/37/360007637.db2.gz AQCLTENJHMUTMA-UHFFFAOYSA-N 1 0 225.340 1.537 10 0 BDAERO C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000306464356 360077548 /nfs/dbraw/zinc/07/75/48/360077548.db2.gz MNGLQEJAQHFNML-YFKPBYRVSA-N 1 0 216.082 1.520 10 0 BDAERO CC(C)[C@H]1CN(C2C[NH2+]C2)CCS1 ZINC000306468368 360081571 /nfs/dbraw/zinc/08/15/71/360081571.db2.gz MHJUYTRJGITBFF-SNVBAGLBSA-N 1 0 200.351 1.032 10 0 BDAERO OC1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000090876796 360091330 /nfs/dbraw/zinc/09/13/30/360091330.db2.gz VKAHPRWCDRTREH-CYBMUJFWSA-N 1 0 233.311 1.447 10 0 BDAERO C[C@H]1C[N@H+](C)C[C@@H]1NCc1cscn1 ZINC000306476548 360111696 /nfs/dbraw/zinc/11/16/96/360111696.db2.gz YIENCKWCKPATSK-WPRPVWTQSA-N 1 0 211.334 1.183 10 0 BDAERO CC(=O)c1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091547620 360119528 /nfs/dbraw/zinc/11/95/28/360119528.db2.gz IQDFDCTUAFJWAQ-RYUDHWBXSA-N 1 0 246.310 1.955 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCCCC1 ZINC000091667442 360123217 /nfs/dbraw/zinc/12/32/17/360123217.db2.gz HCCGERPCONKYGI-OCCSQVGLSA-N 1 0 240.391 1.875 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCC(=O)OC ZINC000092632094 360186912 /nfs/dbraw/zinc/18/69/12/360186912.db2.gz LRTFIIXEVKXFOV-GFCCVEGCSA-N 1 0 242.363 1.356 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC3(C2)OCCO3)[C@H]1C ZINC000306496418 360224755 /nfs/dbraw/zinc/22/47/55/360224755.db2.gz XQLOGIDZDYHYIH-RHYQMDGZSA-N 1 0 225.332 1.916 10 0 BDAERO C[C@H]1CN(CC=C(Cl)Cl)CCC[NH2+]1 ZINC000403839755 360337121 /nfs/dbraw/zinc/33/71/21/360337121.db2.gz PCNPBBDZOSANLI-QMMMGPOBSA-N 1 0 223.147 1.989 10 0 BDAERO [NH3+][C@H]1[C@@H]2CC[C@H]1Cc1cc(O)ccc1C2 ZINC000039374911 360340227 /nfs/dbraw/zinc/34/02/27/360340227.db2.gz JUTSTHKGWLUHLG-NRUUGDAUSA-N 1 0 203.285 1.844 10 0 BDAERO CCCCOCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647969 360313747 /nfs/dbraw/zinc/31/37/47/360313747.db2.gz CMXAGXMVEHUDSD-NEPJUHHUSA-N 1 0 242.363 1.307 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+]CCCCF)[C@H](C)C1 ZINC000309452933 491148545 /nfs/dbraw/zinc/14/85/45/491148545.db2.gz MZFFZKQZELQEKQ-PWSUYJOCSA-N 1 0 230.327 1.583 10 0 BDAERO CSC1(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)CCC1 ZINC000306530068 360376792 /nfs/dbraw/zinc/37/67/92/360376792.db2.gz CUUCCQJQGRPRIQ-UWVGGRQHSA-N 1 0 214.378 1.551 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CSC[C@@H]2C)[nH]1 ZINC000306533298 360394449 /nfs/dbraw/zinc/39/44/49/360394449.db2.gz CSMQPZXJTFWYBH-OIBJUYFYSA-N 1 0 211.334 1.559 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](NC(=O)c2ccsc2)C1 ZINC000306534140 360396133 /nfs/dbraw/zinc/39/61/33/360396133.db2.gz DHKPMKYKGSLIMK-RKDXNWHRSA-N 1 0 210.302 1.358 10 0 BDAERO C[C@@H]1CN(C[C@H]2CC[NH2+]2)C[C@H](C)S1 ZINC000306521131 360358330 /nfs/dbraw/zinc/35/83/30/360358330.db2.gz MHYLGJSUJKKUFL-KXUCPTDWSA-N 1 0 200.351 1.174 10 0 BDAERO CC[C@]1([C@H]2CCOC2)[NH2+]C[C@@H](C)S1 ZINC000306521476 360359626 /nfs/dbraw/zinc/35/96/26/360359626.db2.gz GAVYYZRAJPTZJL-UTLUCORTSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]1CSC[C@H]1[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000306562355 360441196 /nfs/dbraw/zinc/44/11/96/360441196.db2.gz CJEAPRONRMFBFC-OPRDCNLKSA-N 1 0 213.346 1.649 10 0 BDAERO C[N@H+](C(C)(C)C)C1(CN)CCSCC1 ZINC000306568480 360449358 /nfs/dbraw/zinc/44/93/58/360449358.db2.gz UVOIWZKZGCTOSW-UHFFFAOYSA-N 1 0 216.394 1.941 10 0 BDAERO CC(C)([NH3+])CS[C@H]1CCC[C@@]1(C)O ZINC000306543007 360411482 /nfs/dbraw/zinc/41/14/82/360411482.db2.gz ZNCMYJHBNKHXTC-WCBMZHEXSA-N 1 0 203.351 1.760 10 0 BDAERO Cc1nn(C)c(NC[C@H](C)[NH3+])c1Br ZINC000306549318 360418656 /nfs/dbraw/zinc/41/86/56/360418656.db2.gz DNBVEOLZYJLDPU-YFKPBYRVSA-N 1 0 247.140 1.250 10 0 BDAERO [NH3+][C@@H]1CSC[C@@H]1CC[C@H]1CCOC1 ZINC000306582945 360482193 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/nfs/dbraw/zinc/98/29/74/360982974.db2.gz WVPLDZOMULKGFY-OQPBUACISA-N 1 0 215.705 1.851 10 0 BDAERO C[C@@H]1C[NH+](CC(C)(C)CO)C[C@@H](C)S1 ZINC000069909296 361015914 /nfs/dbraw/zinc/01/59/14/361015914.db2.gz RCRGZKLNPDGHJN-NXEZZACHSA-N 1 0 217.378 1.831 10 0 BDAERO CCNC(=[NH2+])N1C[C@@H](C)S[C@H](C)C1 ZINC000069910012 361017016 /nfs/dbraw/zinc/01/70/16/361017016.db2.gz IOBNUMQRXGLNGW-HTQZYQBOSA-N 1 0 201.339 1.356 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C)nn2)C1 ZINC000041045171 361182478 /nfs/dbraw/zinc/18/24/78/361182478.db2.gz OHSVEYJUTJSDQC-LLVKDONJSA-N 1 0 220.320 1.681 10 0 BDAERO [NH3+]C1(C(=O)N2CCC[C@@H]2CCCO)CCCC1 ZINC000052763627 181324993 /nfs/dbraw/zinc/32/49/93/181324993.db2.gz DOXCTPQTSMKZPN-LLVKDONJSA-N 1 0 240.347 1.021 10 0 BDAERO CCCCN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159550409 361252244 /nfs/dbraw/zinc/25/22/44/361252244.db2.gz XMXVNRVPUCJBQS-GFCCVEGCSA-N 1 0 212.337 1.777 10 0 BDAERO Cc1ccc([C@H]2C[C@@H]2C(=O)NCC[NH3+])s1 ZINC000158707937 361209682 /nfs/dbraw/zinc/20/96/82/361209682.db2.gz ZMSOVCLGGANFEA-IUCAKERBSA-N 1 0 224.329 1.235 10 0 BDAERO [NH3+]C1(C(=O)N[C@@H](CO)c2ccccc2)CCCC1 ZINC000063003767 181327508 /nfs/dbraw/zinc/32/75/08/181327508.db2.gz CQLXIPUQUFFDKQ-LBPRGKRZSA-N 1 0 248.326 1.108 10 0 BDAERO CC[C@@H](O)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162580870 361356223 /nfs/dbraw/zinc/35/62/23/361356223.db2.gz GBRGSAQRIMUIJG-RHYQMDGZSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000162820070 361366257 /nfs/dbraw/zinc/36/62/57/361366257.db2.gz XRBGEXYBDUMPPG-OUAUKWLOSA-N 1 0 226.364 1.925 10 0 BDAERO COc1cccc([C@@H](CO)[NH2+]CCCF)c1 ZINC000309897352 491157914 /nfs/dbraw/zinc/15/79/14/491157914.db2.gz GKPKVMQPNXGJEB-GFCCVEGCSA-N 1 0 227.279 1.678 10 0 BDAERO [NH3+]C1(c2nnc3n2CCCC3)CCCC1 ZINC000083286453 181336802 /nfs/dbraw/zinc/33/68/02/181336802.db2.gz LWJZDUJNNJABCK-UHFFFAOYSA-N 1 0 206.293 1.342 10 0 BDAERO Cc1nccn1CCC[N@H+]1CCC[C@H](O)[C@H]1C ZINC000448549074 201216384 /nfs/dbraw/zinc/21/63/84/201216384.db2.gz NRIPULNJIKQZBW-YPMHNXCESA-N 1 0 237.347 1.427 10 0 BDAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(-c3ccco3)no2)C1 ZINC000629687619 361612235 /nfs/dbraw/zinc/61/22/35/361612235.db2.gz YENOYHQTHRWAOG-QPUJVOFHSA-N 1 0 249.270 1.553 10 0 BDAERO [NH3+]C1CC(NC(=O)Oc2ccccc2)C1 ZINC000036263507 181340314 /nfs/dbraw/zinc/34/03/14/181340314.db2.gz GNVYUDPUIHHUID-UHFFFAOYSA-N 1 0 206.245 1.265 10 0 BDAERO C[C@@H]([C@@H]1CNCCO1)[N@H+](C)C(C)(C)C ZINC000306638407 361586528 /nfs/dbraw/zinc/58/65/28/361586528.db2.gz BZXCDJWTMPTCOO-UWVGGRQHSA-N 1 0 200.326 1.094 10 0 BDAERO [NH3+]C1CC(NC(=O)CCc2ccccc2)C1 ZINC000036237249 181340325 /nfs/dbraw/zinc/34/03/25/181340325.db2.gz ADWHYEPAQSQDNN-UHFFFAOYSA-N 1 0 218.300 1.225 10 0 BDAERO CC[C@H]([NH2+]C1CCN(CCO)CC1)C(C)C ZINC000309994893 491159585 /nfs/dbraw/zinc/15/95/85/491159585.db2.gz BXDCWTJICMUHHU-ZDUSSCGKSA-N 1 0 228.380 1.467 10 0 BDAERO [NH3+]C1CCC(C(=O)Nc2cnoc2)CC1 ZINC000061684928 181341669 /nfs/dbraw/zinc/34/16/69/181341669.db2.gz ZUMWBEBRDIRBBL-UHFFFAOYSA-N 1 0 209.249 1.131 10 0 BDAERO [NH3+]C1CCC(OCCn2cccn2)CC1 ZINC000055143249 181342072 /nfs/dbraw/zinc/34/20/72/181342072.db2.gz AEZZLXOIFKMWNC-UHFFFAOYSA-N 1 0 209.293 1.170 10 0 BDAERO c1csc(SC[C@H]2C[NH2+]CCO2)c1 ZINC000070649806 361695566 /nfs/dbraw/zinc/69/55/66/361695566.db2.gz DLFWQPRRLQMYIU-MRVPVSSYSA-N 1 0 215.343 1.829 10 0 BDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccccn1 ZINC000041043426 181345042 /nfs/dbraw/zinc/34/50/42/181345042.db2.gz ARHGCRFSOAPXKN-FGWVZKOKSA-N 1 0 203.289 1.540 10 0 BDAERO NC(=S)[C@@H]1CCC[N@@H+]1Cc1cccs1 ZINC000070662031 361701045 /nfs/dbraw/zinc/70/10/45/361701045.db2.gz GVPOMPBJFCVKED-VIFPVBQESA-N 1 0 226.370 1.999 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(N)=[NH2+] ZINC000070660527 361702049 /nfs/dbraw/zinc/70/20/49/361702049.db2.gz QUPZFIQJLSKKMS-YUMQZZPRSA-N 1 0 227.308 1.616 10 0 BDAERO CCN(CCC(N)=[NH2+])C(=O)OC(C)(C)C ZINC000070660074 361702220 /nfs/dbraw/zinc/70/22/20/361702220.db2.gz NQZXDWVKHPYICZ-UHFFFAOYSA-N 1 0 215.297 1.569 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCC[C@H](C(N)=S)C1 ZINC000070663670 361708451 /nfs/dbraw/zinc/70/84/51/361708451.db2.gz QZNAOLUJRKBLMB-BDAKNGLRSA-N 1 0 200.351 1.783 10 0 BDAERO [NH3+]CC(=O)N1CCSC[C@H]1c1cccs1 ZINC000309565076 181349788 /nfs/dbraw/zinc/34/97/88/181349788.db2.gz QEQIXMAEFTVWNP-QMMMGPOBSA-N 1 0 242.369 1.323 10 0 BDAERO Cc1ccc(OC2CC[NH2+]CC2)c(C)n1 ZINC000204306370 363951288 /nfs/dbraw/zinc/95/12/88/363951288.db2.gz RCNKFNBPBDZKFB-UHFFFAOYSA-N 1 0 206.289 1.829 10 0 BDAERO CSC1([C@@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000306802481 541314327 /nfs/dbraw/zinc/31/43/27/541314327.db2.gz TXYJQHVCKQEXGQ-SECBINFHSA-N 1 0 209.318 1.492 10 0 BDAERO [NH3+]CC(=O)NCc1ccc(Cl)cc1F ZINC000083348773 181353153 /nfs/dbraw/zinc/35/31/53/181353153.db2.gz NIYFFOBQJLMVHF-UHFFFAOYSA-N 1 0 216.643 1.054 10 0 BDAERO CO[C@H]1CN(C(=O)CCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630358495 364079653 /nfs/dbraw/zinc/07/96/53/364079653.db2.gz IOVWFRMZCDWKSJ-DGCLKSJQSA-N 1 0 242.363 1.387 10 0 BDAERO CCC[C@H](C)C(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630360236 364081183 /nfs/dbraw/zinc/08/11/83/364081183.db2.gz GDTNTFLPHCBPOJ-DMDPSCGWSA-N 1 0 242.363 1.387 10 0 BDAERO C[C@H]1CN(C(=O)n2cc[n+](C)c2)CC[C@@H]1C ZINC000130680250 364035017 /nfs/dbraw/zinc/03/50/17/364035017.db2.gz ZLKMLTUPLKSRTO-QWRGUYRKSA-N 1 0 222.312 1.259 10 0 BDAERO CO[C@H]1CN(Cc2cccnc2C)[C@](C)(C[NH3+])C1 ZINC000630368889 364086632 /nfs/dbraw/zinc/08/66/32/364086632.db2.gz UAPVRRMIWIYOFU-KGLIPLIRSA-N 1 0 249.358 1.328 10 0 BDAERO [NH3+]CC(=O)Nc1cc(Br)ccc1F ZINC000036752461 181355607 /nfs/dbraw/zinc/35/56/07/181355607.db2.gz OHQKSNALRJAAIP-UHFFFAOYSA-N 1 0 247.067 1.485 10 0 BDAERO CCC(=O)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000725263618 541336626 /nfs/dbraw/zinc/33/66/26/541336626.db2.gz WLMDKZVSQDUMRF-SCRDCRAPSA-N 1 0 236.359 1.777 10 0 BDAERO CCOC(=O)c1ccc(C[NH3+])c2ncccc12 ZINC000725263559 541336671 /nfs/dbraw/zinc/33/66/71/541336671.db2.gz QJQIEJSBWXSRBS-UHFFFAOYSA-N 1 0 230.267 1.870 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000725269794 541339032 /nfs/dbraw/zinc/33/90/32/541339032.db2.gz QMGMEGQVMGGWNP-NWDGAFQWSA-N 1 0 241.379 1.944 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000725271477 541339773 /nfs/dbraw/zinc/33/97/73/541339773.db2.gz NQYBLEVZYDAKOT-GRYCIOLGSA-N 1 0 241.379 1.657 10 0 BDAERO Cc1nnc(N[C@H]2CC[C@@H](C)[NH2+]C2)nc1C ZINC000630533035 364223665 /nfs/dbraw/zinc/22/36/65/364223665.db2.gz MVEYGZGIUKKZNV-XCBNKYQSSA-N 1 0 221.308 1.041 10 0 BDAERO Cc1nsc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000630540181 364235011 /nfs/dbraw/zinc/23/50/11/364235011.db2.gz VTDQSEFYMHYYAM-PHIMTYICSA-N 1 0 238.360 1.282 10 0 BDAERO C[C@H]1CN(c2ncc(Cl)cn2)C[C@@H]1C[NH3+] ZINC000630576175 364274625 /nfs/dbraw/zinc/27/46/25/364274625.db2.gz XFRMYDKYMWACQB-YUMQZZPRSA-N 1 0 226.711 1.161 10 0 BDAERO C[C@@H]1CN(c2nc3ccccc3o2)C[C@H]1C[NH3+] ZINC000630576796 364274765 /nfs/dbraw/zinc/27/47/65/364274765.db2.gz ZSNRVVDYJMDFDU-NXEZZACHSA-N 1 0 231.299 1.859 10 0 BDAERO Cc1nnc(N2CCCCC[C@@H]([NH3+])C2)nc1C ZINC000630550603 364244222 /nfs/dbraw/zinc/24/42/22/364244222.db2.gz VTQHMUDPFPTJAS-LLVKDONJSA-N 1 0 235.335 1.196 10 0 BDAERO Cc1nc(N2C[C@@H](C)[C@@H](C[NH3+])C2)sc1C ZINC000630554134 364248815 /nfs/dbraw/zinc/24/88/15/364248815.db2.gz OMTYTPBCAPSLIW-XCBNKYQSSA-N 1 0 225.361 1.791 10 0 BDAERO C[C@@H]1CN(c2nc(C3CC3)ns2)C[C@H]1C[NH3+] ZINC000630555102 364253296 /nfs/dbraw/zinc/25/32/96/364253296.db2.gz ZOUAFCHXFZIHBK-VXNVDRBHSA-N 1 0 238.360 1.447 10 0 BDAERO C[C@@H]1CN(c2ccnc3cccnc32)C[C@H]1C[NH3+] ZINC000630554827 364253627 /nfs/dbraw/zinc/25/36/27/364253627.db2.gz UDBDTOWNCHUHDL-GHMZBOCLSA-N 1 0 242.326 1.661 10 0 BDAERO Cc1cnc(C)c(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000630557667 364255672 /nfs/dbraw/zinc/25/56/72/364255672.db2.gz RGDOFAQCLNEXKB-HAQNSBGRSA-N 1 0 234.347 1.445 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1nc2ccccc2[nH]1 ZINC000630558279 364257570 /nfs/dbraw/zinc/25/75/70/364257570.db2.gz SULGJANQALTODA-BDAKNGLRSA-N 1 0 216.288 1.489 10 0 BDAERO [NH3+]CC1(C(=O)Nc2cn[nH]c2)CCCCC1 ZINC000044762708 181359406 /nfs/dbraw/zinc/35/94/06/181359406.db2.gz NJMVJHVRAHGBOT-UHFFFAOYSA-N 1 0 222.292 1.257 10 0 BDAERO CC(C)c1cc(N2C[C@H](C)[C@H](C[NH3+])C2)ncn1 ZINC000630566725 364263510 /nfs/dbraw/zinc/26/35/10/364263510.db2.gz FUOFLZWSEHZRTQ-WDEREUQCSA-N 1 0 234.347 1.631 10 0 BDAERO CCc1ncnc(N2C[C@H](C)[C@@H](C[NH3+])C2)c1F ZINC000630567366 364265214 /nfs/dbraw/zinc/26/52/14/364265214.db2.gz ICVSUXGCILADAR-IUCAKERBSA-N 1 0 238.310 1.209 10 0 BDAERO C[C@@H]1CN(c2ncccc2F)C[C@H]1C[NH3+] ZINC000630571769 364266761 /nfs/dbraw/zinc/26/67/61/364266761.db2.gz PNSOTDRBTVVHCV-RKDXNWHRSA-N 1 0 209.268 1.252 10 0 BDAERO C[C@@H]1CN(c2ccc(F)cn2)C[C@H]1C[NH3+] ZINC000630572696 364267325 /nfs/dbraw/zinc/26/73/25/364267325.db2.gz RNVJXPVKZMKXHG-RKDXNWHRSA-N 1 0 209.268 1.252 10 0 BDAERO C[C@H]1CN(c2ccc(F)cn2)C[C@H]1C[NH3+] ZINC000630572694 364267460 /nfs/dbraw/zinc/26/74/60/364267460.db2.gz RNVJXPVKZMKXHG-DTWKUNHWSA-N 1 0 209.268 1.252 10 0 BDAERO Cc1ccnc(N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000630533932 364226983 /nfs/dbraw/zinc/22/69/83/364226983.db2.gz HPIRJGWKKXJWAN-WDEREUQCSA-N 1 0 205.305 1.942 10 0 BDAERO CCCCNC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000309368279 541355589 /nfs/dbraw/zinc/35/55/89/541355589.db2.gz OXWFHQFGBITGTI-LLVKDONJSA-N 1 0 227.352 1.475 10 0 BDAERO CCn1ccnc1Cn1cnc(C)c1C ZINC000134591142 364406663 /nfs/dbraw/zinc/40/66/63/364406663.db2.gz AAKPWVDFVCUSEN-UHFFFAOYSA-N 1 0 204.277 1.765 10 0 BDAERO [NH3+]CC1=NN[C@@H](c2ccccc2Cl)C1 ZINC000041143270 181364028 /nfs/dbraw/zinc/36/40/28/181364028.db2.gz SHBZANYCKLYSRX-SNVBAGLBSA-N 1 0 209.680 1.689 10 0 BDAERO [NH3+]CC1(c2nc3ccccc3o2)CCOCC1 ZINC000083076091 181363434 /nfs/dbraw/zinc/36/34/34/181363434.db2.gz FTMSHBIJFAGTLB-UHFFFAOYSA-N 1 0 232.283 1.835 10 0 BDAERO [NH3+]CC1CCC(C(=O)Nc2cccnc2)CC1 ZINC000000012055 181363684 /nfs/dbraw/zinc/36/36/84/181363684.db2.gz KYLXQSSTAJYSGY-UHFFFAOYSA-N 1 0 233.315 1.785 10 0 BDAERO [NH3+]CC1=NN[C@H](c2ccccc2Cl)C1 ZINC000041143269 181363785 /nfs/dbraw/zinc/36/37/85/181363785.db2.gz SHBZANYCKLYSRX-JTQLQIEISA-N 1 0 209.680 1.689 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)CC(F)(F)F)C1 ZINC000170855332 364530957 /nfs/dbraw/zinc/53/09/57/364530957.db2.gz YXCLVTHLKGIHBQ-SSDOTTSWSA-N 1 0 224.226 1.101 10 0 BDAERO CCC(CC)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861790 364534028 /nfs/dbraw/zinc/53/40/28/364534028.db2.gz NYSUYUPIPHIEQM-NSHDSACASA-N 1 0 227.352 1.521 10 0 BDAERO [NH3+]CCC(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000037823820 181367089 /nfs/dbraw/zinc/36/70/89/181367089.db2.gz YJHNFMNPYKUICM-UHFFFAOYSA-N 1 0 234.299 1.232 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC1 ZINC000246805160 364609961 /nfs/dbraw/zinc/60/99/61/364609961.db2.gz BXEDIAIQMDAFOF-KOLCDFICSA-N 1 0 208.305 1.092 10 0 BDAERO CSCCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246863446 364612515 /nfs/dbraw/zinc/61/25/15/364612515.db2.gz FRUVPFJZEBVTKP-NEPJUHHUSA-N 1 0 228.405 1.908 10 0 BDAERO C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000252635613 364664235 /nfs/dbraw/zinc/66/42/35/364664235.db2.gz GBDUYWAOBAPGRE-GRYCIOLGSA-N 1 0 239.363 1.555 10 0 BDAERO [NH3+]CCC(=O)OCCc1cc(F)ccc1F ZINC000077343064 181369733 /nfs/dbraw/zinc/36/97/33/181369733.db2.gz DIRHBVLLBOERBU-UHFFFAOYSA-N 1 0 229.226 1.399 10 0 BDAERO [NH3+]CCCC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819561 181371055 /nfs/dbraw/zinc/37/10/55/181371055.db2.gz HAPPVBMDRQNNKJ-LLVKDONJSA-N 1 0 221.304 1.417 10 0 BDAERO C[C@H](Nc1cccc(CO)c1)[C@H]1CCC[NH2+]C1 ZINC000573693915 364894568 /nfs/dbraw/zinc/89/45/68/364894568.db2.gz XUDVPPPBQLETAZ-AAEUAGOBSA-N 1 0 234.343 1.979 10 0 BDAERO [NH3+]CCCCCc1nc2ccccc2n1CCO ZINC000019734684 181376477 /nfs/dbraw/zinc/37/64/77/181376477.db2.gz BGGZKWDMTVPRQI-UHFFFAOYSA-N 1 0 247.342 1.700 10 0 BDAERO [NH3+]CCCN(C(=O)c1cc[nH]n1)c1ccccc1 ZINC000062775019 181379206 /nfs/dbraw/zinc/37/92/06/181379206.db2.gz SYQFLPMJILMNNN-UHFFFAOYSA-N 1 0 244.298 1.405 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000669385139 541438437 /nfs/dbraw/zinc/43/84/37/541438437.db2.gz ZRSVUPQGOWCCAO-OUAUKWLOSA-N 1 0 227.352 1.458 10 0 BDAERO CSCC[C@H](O)[C@]1(C[NH3+])CC1(C)C ZINC000669377198 541436536 /nfs/dbraw/zinc/43/65/36/541436536.db2.gz JBDWUXAVCWPOQH-WCBMZHEXSA-N 1 0 203.351 1.475 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)c1ccc(Cl)cn1 ZINC000669377161 541436571 /nfs/dbraw/zinc/43/65/71/541436571.db2.gz HTBIBFINYFUPOZ-RCOVLWMOSA-N 1 0 200.669 1.363 10 0 BDAERO Cc1cnc(-c2cc(C[NH3+])ccc2N)nc1 ZINC000669380624 541437099 /nfs/dbraw/zinc/43/70/99/541437099.db2.gz SLKGFBJIPKOPMF-UHFFFAOYSA-N 1 0 214.272 1.493 10 0 BDAERO [NH3+]CCCN(c1nncc2ccccc21)C1CC1 ZINC000035663581 181379939 /nfs/dbraw/zinc/37/99/39/181379939.db2.gz BUMYLQINBHFGML-UHFFFAOYSA-N 1 0 242.326 1.947 10 0 BDAERO CCOC(=O)C1(C[NH3+])CC(C(C)(C)C)C1 ZINC000083181751 541450784 /nfs/dbraw/zinc/45/07/84/541450784.db2.gz FIPRTHNBGRJYFW-UHFFFAOYSA-N 1 0 213.321 1.951 10 0 BDAERO [NH3+]CCCNc1cccc2cnccc21 ZINC000061123537 181383067 /nfs/dbraw/zinc/38/30/67/181383067.db2.gz IWCXHNVZRKOBMG-UHFFFAOYSA-N 1 0 201.273 1.996 10 0 BDAERO [NH3+]CCCNc1cccc(C(F)(F)F)n1 ZINC000044271111 181383764 /nfs/dbraw/zinc/38/37/64/181383764.db2.gz RKTKVTILLYSSBQ-UHFFFAOYSA-N 1 0 219.210 1.861 10 0 BDAERO [NH3+]CCCNCc1ccc(F)c(F)c1F ZINC000074339314 181383818 /nfs/dbraw/zinc/38/38/18/181383818.db2.gz BWFFFUNZRPRHPK-UHFFFAOYSA-N 1 0 218.222 1.542 10 0 BDAERO [NH3+]CCC[C@H](C(=O)NC1CC1)c1ccccn1 ZINC000076615378 181386013 /nfs/dbraw/zinc/38/60/13/181386013.db2.gz VELHDQCEQNGWOO-NSHDSACASA-N 1 0 233.315 1.183 10 0 BDAERO [NH3+]CCCn1nc(-c2cccs2)ccc1=O ZINC000033420643 181388982 /nfs/dbraw/zinc/38/89/82/181388982.db2.gz YEDKTUNAZHSTCG-UHFFFAOYSA-N 1 0 235.312 1.321 10 0 BDAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1ccoc1 ZINC000038033040 181391032 /nfs/dbraw/zinc/39/10/32/181391032.db2.gz XBBYRPHZOOSNOC-UHFFFAOYSA-N 1 0 244.294 1.881 10 0 BDAERO [NH3+]CCCN(Cc1cccnc1)C(=O)C1CC1 ZINC000019811538 181380223 /nfs/dbraw/zinc/38/02/23/181380223.db2.gz KLPICZZFVHOQDE-UHFFFAOYSA-N 1 0 233.315 1.169 10 0 BDAERO [NH3+]CCN1CCO[C@H](c2cccs2)C1 ZINC000019729983 181392300 /nfs/dbraw/zinc/39/23/00/181392300.db2.gz IXODMOYEQNYRHT-VIFPVBQESA-N 1 0 212.318 1.080 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CC2(C)CCC2)C1 ZINC000379772541 365087376 /nfs/dbraw/zinc/08/73/76/365087376.db2.gz BACBQPJCLVRHGR-QWRGUYRKSA-N 1 0 213.321 1.258 10 0 BDAERO [NH3+]CCNCc1csc(Br)c1 ZINC000037712835 181396972 /nfs/dbraw/zinc/39/69/72/181396972.db2.gz OKYASAMOIBCXPM-UHFFFAOYSA-N 1 0 235.150 1.559 10 0 BDAERO [NH3+]CC[C@H](O)CCOc1ccccc1F ZINC000041226881 181407926 /nfs/dbraw/zinc/40/79/26/181407926.db2.gz JJZMECANVBVWHE-VIFPVBQESA-N 1 0 213.252 1.304 10 0 BDAERO [NH3+]CC[C@H](O)CCOc1ccc2c(c1)CCC2 ZINC000041266950 181408095 /nfs/dbraw/zinc/40/80/95/181408095.db2.gz WLAMGTZOZSSTFN-ZDUSSCGKSA-N 1 0 235.327 1.654 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2CC(C)C2)C1 ZINC000575044753 365175662 /nfs/dbraw/zinc/17/56/62/365175662.db2.gz WSXNBVKWMDPECH-LVFLEHKBSA-N 1 0 224.348 1.618 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000083264027 181403881 /nfs/dbraw/zinc/40/38/81/181403881.db2.gz BCNDFSQLHXIYKO-SECBINFHSA-N 1 0 203.644 1.861 10 0 BDAERO C[C@H](CO)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253103515 541454197 /nfs/dbraw/zinc/45/41/97/541454197.db2.gz YSWRCDFZRMLYLK-IGQOVBAYSA-N 1 0 241.375 1.630 10 0 BDAERO [NH3+]CCc1cnc(-c2cccs2)nc1 ZINC000054857492 181412864 /nfs/dbraw/zinc/41/28/64/181412864.db2.gz ZREMFJXEHRQKPW-UHFFFAOYSA-N 1 0 205.286 1.706 10 0 BDAERO [NH3+]CCc1nnc(-c2cc(F)cc(F)c2)o1 ZINC000050283753 181414099 /nfs/dbraw/zinc/41/40/99/181414099.db2.gz OQWOXGRVCGMARZ-UHFFFAOYSA-N 1 0 225.198 1.516 10 0 BDAERO [NH3+]CCc1nc(-c2ccccc2F)c[nH]1 ZINC000036876276 181414178 /nfs/dbraw/zinc/41/41/78/181414178.db2.gz QJFZXSHOWYSIPL-UHFFFAOYSA-N 1 0 205.236 1.717 10 0 BDAERO CCc1cnccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000182535330 366915460 /nfs/dbraw/zinc/91/54/60/366915460.db2.gz JLDWIFWRLJPWSJ-LBPRGKRZSA-N 1 0 247.342 1.420 10 0 BDAERO COCCC[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000182710850 366934017 /nfs/dbraw/zinc/93/40/17/366934017.db2.gz VDOIHPCUIRBOLV-RYUDHWBXSA-N 1 0 242.363 1.212 10 0 BDAERO CC[C@@H]1[C@H](C)CNc2nc(CCC[NH3+])nn21 ZINC000233930873 541510315 /nfs/dbraw/zinc/51/03/15/541510315.db2.gz LCVJGMMIIIVKQQ-RKDXNWHRSA-N 1 0 223.324 1.182 10 0 BDAERO CO[C@@H]([C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000579822392 367023790 /nfs/dbraw/zinc/02/37/90/367023790.db2.gz GVKHLIROASEFIM-VTPLQMEGSA-N 1 0 240.391 1.778 10 0 BDAERO O=C(Cc1ccoc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000185368772 367129141 /nfs/dbraw/zinc/12/91/41/367129141.db2.gz PMWYXXRBTOVXQT-LBPRGKRZSA-N 1 0 234.299 1.129 10 0 BDAERO O=C(Cc1ccoc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185368750 367129315 /nfs/dbraw/zinc/12/93/15/367129315.db2.gz PMWYXXRBTOVXQT-GFCCVEGCSA-N 1 0 234.299 1.129 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000380979595 367329738 /nfs/dbraw/zinc/32/97/38/367329738.db2.gz CDSGQAAWDAPNFP-WXHSDQCUSA-N 1 0 226.364 1.220 10 0 BDAERO CCCc1nsc(N[C@H](C)[C@H](C)[NH3+])n1 ZINC000381329213 367383103 /nfs/dbraw/zinc/38/31/03/367383103.db2.gz AWOXOMQIKCCXNR-NKWVEPMBSA-N 1 0 214.338 1.060 10 0 BDAERO c1nc2c(c(N3CC[C@@H]4[NH2+]CC[C@@H]4C3)n1)CCC2 ZINC000381344981 367384181 /nfs/dbraw/zinc/38/41/81/367384181.db2.gz LITBJIDZWOSRLL-PWSUYJOCSA-N 1 0 244.342 1.154 10 0 BDAERO COC1(CC[NH2+]CC(C)(C)O)CCC1 ZINC000381882173 367467146 /nfs/dbraw/zinc/46/71/46/367467146.db2.gz OCCCNNHHCWLWDR-UHFFFAOYSA-N 1 0 201.310 1.306 10 0 BDAERO C[C@@H](Nc1ccc(C(F)(F)F)nn1)[C@H](C)[NH3+] ZINC000381606985 367437659 /nfs/dbraw/zinc/43/76/59/367437659.db2.gz OHSIFCAOTLVYSH-NTSWFWBYSA-N 1 0 234.225 1.065 10 0 BDAERO CCOc1cncc(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000381706874 367449191 /nfs/dbraw/zinc/44/91/91/367449191.db2.gz HXNOCCDRJGKUNK-SFYZADRCSA-N 1 0 210.281 1.023 10 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BDAERO Cc1cnc(N[C@@H](C[NH3+])CC(C)C)nc1C ZINC000386389573 367961048 /nfs/dbraw/zinc/96/10/48/367961048.db2.gz BNMRXBBVAWMZOJ-LLVKDONJSA-N 1 0 222.336 1.879 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncnc4c3CCC4)C[C@H]12 ZINC000386732891 368014900 /nfs/dbraw/zinc/01/49/00/368014900.db2.gz BBWMHEUNGICZCQ-ADEWGFFLSA-N 1 0 244.342 1.139 10 0 BDAERO CC[NH2+][C@H](C)CNc1ncnc2ccsc21 ZINC000387448622 368195405 /nfs/dbraw/zinc/19/54/05/368195405.db2.gz MJWVAJKCSZPGGR-MRVPVSSYSA-N 1 0 236.344 1.523 10 0 BDAERO [NH3+]C[C@@]1(N2CCC2)CCCSCC1 ZINC000215036764 368140644 /nfs/dbraw/zinc/14/06/44/368140644.db2.gz UXIISVRDXKZJJO-SNVBAGLBSA-N 1 0 200.351 1.307 10 0 BDAERO O=C(c1ccc(F)cc1)N1C[C@H]2CC[NH2+][C@@H]2C1 ZINC000209245523 368399943 /nfs/dbraw/zinc/39/99/43/368399943.db2.gz BLLWGNQEBCPHCJ-ZYHUDNBSSA-N 1 0 234.274 1.260 10 0 BDAERO C[C@@H]([NH3+])Cc1c2cccnc2n2c1CCC2 ZINC000000027180 368478515 /nfs/dbraw/zinc/47/85/15/368478515.db2.gz WUAJALFWMPKVTA-SECBINFHSA-N 1 0 215.300 1.872 10 0 BDAERO 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O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000624237823 371426205 /nfs/dbraw/zinc/42/62/05/371426205.db2.gz FGSBJPFLGFZWMP-TUAOUCFPSA-N 1 0 225.332 1.449 10 0 BDAERO CC1(C)[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@@H]2CCO[C@H]21 ZINC000624258651 371445274 /nfs/dbraw/zinc/44/52/74/371445274.db2.gz PNLGMNYJVSLLIF-QJPTWQEYSA-N 1 0 248.326 1.690 10 0 BDAERO C[C@H]1CC[N@H+](CCC(N)=S)[C@@H](C)C1 ZINC000225723586 371567102 /nfs/dbraw/zinc/56/71/02/371567102.db2.gz ARHPFUQXUGOUMK-IUCAKERBSA-N 1 0 200.351 1.783 10 0 BDAERO Brc1cncc(C[C@H]2CC[NH2+]C2)c1 ZINC000161993098 371597319 /nfs/dbraw/zinc/59/73/19/371597319.db2.gz UUMDKUIMVSQQFX-MRVPVSSYSA-N 1 0 241.132 1.996 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)c1cccnc1 ZINC000226476581 371673751 /nfs/dbraw/zinc/67/37/51/371673751.db2.gz YRYOBBXZKRTQHE-WDEREUQCSA-N 1 0 204.273 1.782 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Cc1cncs1 ZINC000226485046 371676488 /nfs/dbraw/zinc/67/64/88/371676488.db2.gz HTERLZSIQSVWOF-RKDXNWHRSA-N 1 0 210.302 1.382 10 0 BDAERO 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CJSHXDNJKJMENS-SNVBAGLBSA-N 1 0 231.217 1.889 10 0 BDAERO CCCCc1nc2c(c(NN)[nH+]1)CCC2 ZINC000057328550 169027419 /nfs/dbraw/zinc/02/74/19/169027419.db2.gz QBIXMIXVHCIQIV-UHFFFAOYSA-N 1 0 206.293 1.594 10 0 BDAERO CCCC[S@](=O)C1CCC([NH3+])CC1 ZINC000055144887 169016019 /nfs/dbraw/zinc/01/60/19/169016019.db2.gz XZFFXPWZADNAIZ-SRHKJQAYSA-N 1 0 203.351 1.805 10 0 BDAERO OC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCC[C@@H]1O ZINC000053923728 183148581 /nfs/dbraw/zinc/14/85/81/183148581.db2.gz MHZRTPUDXRHIJO-MJBXVCDLSA-N 1 0 241.375 1.774 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cocn1 ZINC000192316747 183148624 /nfs/dbraw/zinc/14/86/24/183148624.db2.gz SARNZFJCSNPLQG-MWLCHTKSSA-N 1 0 210.277 1.315 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000164264062 183148639 /nfs/dbraw/zinc/14/86/39/183148639.db2.gz AMDDSCNMPHCSLE-OLZOCXBDSA-N 1 0 220.316 1.722 10 0 BDAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000179183319 183156721 /nfs/dbraw/zinc/15/67/21/183156721.db2.gz SCPZCCWFSSZWPQ-NEPJUHHUSA-N 1 0 241.718 1.268 10 0 BDAERO CCCN(C(=O)[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000037541589 169046387 /nfs/dbraw/zinc/04/63/87/169046387.db2.gz RQYZYDJMDDUTLJ-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)c1cc(F)ccc1F ZINC000037871906 183178161 /nfs/dbraw/zinc/17/81/61/183178161.db2.gz YWIYEDGXJDSCTG-NSHDSACASA-N 1 0 213.227 1.750 10 0 BDAERO O[C@@H](C[NH2+]C1CCOCC1)c1cccs1 ZINC000037893098 183179761 /nfs/dbraw/zinc/17/97/61/183179761.db2.gz MYEHEVZSASHNPN-JTQLQIEISA-N 1 0 227.329 1.550 10 0 BDAERO O[C@@H](c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000036158959 183184699 /nfs/dbraw/zinc/18/46/99/183184699.db2.gz SRKNLOOZDMHLSC-QWRGUYRKSA-N 1 0 213.227 1.750 10 0 BDAERO O[C@@H]1CC[NH2+][C@H]1c1cccc(Br)c1 ZINC000096987605 183202268 /nfs/dbraw/zinc/20/22/68/183202268.db2.gz LIGGHZBXLFEUBA-ZJUUUORDSA-N 1 0 242.116 1.844 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]1 ZINC000036172010 183185719 /nfs/dbraw/zinc/18/57/19/183185719.db2.gz JBBBADHXDBJFKK-FZMZJTMJSA-N 1 0 249.310 1.633 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCN(C2CC2)CC1 ZINC000042490908 183188355 /nfs/dbraw/zinc/18/83/55/183188355.db2.gz SMZLSVBKNXAAIN-QWHCGFSZSA-N 1 0 224.348 1.070 10 0 BDAERO CCCN(CC(=O)OC(C)C)[C@@H]1CCC[NH2+]C1 ZINC000104341065 169100684 /nfs/dbraw/zinc/10/06/84/169100684.db2.gz JWLYTFYJOYXPDK-GFCCVEGCSA-N 1 0 242.363 1.402 10 0 BDAERO CCC[N@H+](C)Cc1cc(N)cc2c1OCOC2 ZINC000037097746 169081537 /nfs/dbraw/zinc/08/15/37/169081537.db2.gz KSMJUYDTKBVCCL-UHFFFAOYSA-N 1 0 236.315 1.977 10 0 BDAERO O[C@H](C[NH2+]C1CCOCC1)c1cccs1 ZINC000037893097 183222823 /nfs/dbraw/zinc/22/28/23/183222823.db2.gz MYEHEVZSASHNPN-SNVBAGLBSA-N 1 0 227.329 1.550 10 0 BDAERO O[C@H](C[NH2+]C1CC1)c1ccc2c(c1)CCC2 ZINC000049816393 183222976 /nfs/dbraw/zinc/22/29/76/183222976.db2.gz BQNFTOVOMCUJSW-CQSZACIVSA-N 1 0 217.312 1.961 10 0 BDAERO O[C@H](C[NH2+]C1CC1)c1c(F)cccc1F ZINC000037871917 183223020 /nfs/dbraw/zinc/22/30/20/183223020.db2.gz ZZFKYZBTYSKHKL-SNVBAGLBSA-N 1 0 213.227 1.750 10 0 BDAERO O[C@H](C[NH2+]C(C1CC1)C1CC1)Cn1cccn1 ZINC000049234914 183223236 /nfs/dbraw/zinc/22/32/36/183223236.db2.gz BXGFFJCPUAIYTO-GFCCVEGCSA-N 1 0 235.331 1.022 10 0 BDAERO O[C@H](C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000071533047 183223306 /nfs/dbraw/zinc/22/33/06/183223306.db2.gz PCPQQSUWQXRQSZ-NSHDSACASA-N 1 0 227.254 1.620 10 0 BDAERO O[C@H](C[NH2+]C[C@H]1CCCOC1)c1cccs1 ZINC000038045492 183224098 /nfs/dbraw/zinc/22/40/98/183224098.db2.gz WULVUKNIVXHEQR-GHMZBOCLSA-N 1 0 241.356 1.798 10 0 BDAERO O[C@H](C[NH2+][C@H]1CCN(C2CC2)C1)c1ccco1 ZINC000070141817 183224943 /nfs/dbraw/zinc/22/49/43/183224943.db2.gz AMLAXXLBHJIUDD-CMPLNLGQSA-N 1 0 236.315 1.139 10 0 BDAERO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1cocn1 ZINC000192317561 183231358 /nfs/dbraw/zinc/23/13/58/183231358.db2.gz MOSSUEZUJBSRHV-KOLCDFICSA-N 1 0 210.277 1.315 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]CCn1cccn1 ZINC000042540580 183231381 /nfs/dbraw/zinc/23/13/81/183231381.db2.gz DIAXPZGPFADUPE-NEPJUHHUSA-N 1 0 223.320 1.166 10 0 BDAERO O[C@H](c1c[nH]c2ncccc12)C1CC[NH2+]CC1 ZINC000034963495 183228456 /nfs/dbraw/zinc/22/84/56/183228456.db2.gz JSRYEQLNHCDWHB-LBPRGKRZSA-N 1 0 231.299 1.596 10 0 BDAERO O[C@H](c1c[nH]c2ncccc12)[C@H]1CCC[NH2+]C1 ZINC000036906396 183228850 /nfs/dbraw/zinc/22/88/50/183228850.db2.gz GPJYRKSCCQCENO-CABZTGNLSA-N 1 0 231.299 1.596 10 0 BDAERO O[C@@H]1COCC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336259652 183209176 /nfs/dbraw/zinc/20/91/76/183209176.db2.gz BPFCOORZIPUUTD-UWVGGRQHSA-N 1 0 235.274 1.115 10 0 BDAERO O[C@@H]1c2ccccc2OC[C@@H]1[NH+]1CCCC1 ZINC000044115191 183214963 /nfs/dbraw/zinc/21/49/63/183214963.db2.gz CSJAXJFXOVITHJ-WCQYABFASA-N 1 0 219.284 1.577 10 0 BDAERO O[C@H]1CC[NH2+][C@@H]1c1ccc(Cl)c(F)c1 ZINC000082370121 183240764 /nfs/dbraw/zinc/24/07/64/183240764.db2.gz ZVSYBVLVSBHNEG-VHSXEESVSA-N 1 0 215.655 1.874 10 0 BDAERO CCCN(CC)C(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000037095321 169115788 /nfs/dbraw/zinc/11/57/88/169115788.db2.gz KZIIEPIHOVYSLU-GHMZBOCLSA-N 1 0 212.337 1.776 10 0 BDAERO O[C@H]1COC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000037876910 183246927 /nfs/dbraw/zinc/24/69/27/183246927.db2.gz PJTDCSCMLSHYQV-RYUDHWBXSA-N 1 0 213.321 1.449 10 0 BDAERO O[C@]1(C[NH2+][C@H]2CCC[C@H]2CCF)CCOC1 ZINC000336676368 183251972 /nfs/dbraw/zinc/25/19/72/183251972.db2.gz LRNCIYCYBUXCMH-SRVKXCTJSA-N 1 0 231.311 1.256 10 0 BDAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCCSCC1 ZINC000042444426 183232766 /nfs/dbraw/zinc/23/27/66/183232766.db2.gz PLLAHHDVHBDDER-MNOVXSKESA-N 1 0 215.362 1.729 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1C(F)F ZINC000052013557 183233779 /nfs/dbraw/zinc/23/37/79/183233779.db2.gz AQBVSROMDCZGHA-BDAKNGLRSA-N 1 0 245.273 1.671 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000037166328 183237233 /nfs/dbraw/zinc/23/72/33/183237233.db2.gz LEGHMUNGPAMOHK-QWRGUYRKSA-N 1 0 215.362 1.775 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccs1 ZINC000084224246 183237807 /nfs/dbraw/zinc/23/78/07/183237807.db2.gz MYIBSQKNSSABAV-ONGXEEELSA-N 1 0 211.330 1.999 10 0 BDAERO Oc1ccc2c(c1)C[C@@H]1CCC[NH2+][C@@H]1C2 ZINC000039209714 183279703 /nfs/dbraw/zinc/27/97/03/183279703.db2.gz LFUCQBCYFTZJHM-GXFFZTMASA-N 1 0 203.285 1.859 10 0 BDAERO Oc1cccnc1OC[C@@H]1CCCC[NH2+]1 ZINC000095073842 183305856 /nfs/dbraw/zinc/30/58/56/183305856.db2.gz CZVCMMZCNCUULG-VIFPVBQESA-N 1 0 208.261 1.308 10 0 BDAERO Oc1ccc2c(c1)[C@H]1OCC[NH2+][C@@H]1CC2 ZINC000022060168 183282853 /nfs/dbraw/zinc/28/28/53/183282853.db2.gz RCTXZLWJOZFFFZ-VXGBXAGGSA-N 1 0 205.257 1.368 10 0 in-vitro BDAERO Oc1ccc2[nH]c([C@@H]3CCC[NH2+]3)nc2c1 ZINC000040543288 183286485 /nfs/dbraw/zinc/28/64/85/183286485.db2.gz ODWPSUOQZBDRLI-VIFPVBQESA-N 1 0 203.245 1.693 10 0 BDAERO CCC[N@H+](CC[C@@H](NCC)C(=O)OC)C1CC1 ZINC000062447393 169170236 /nfs/dbraw/zinc/17/02/36/169170236.db2.gz MCOFOYLTTKDYNW-GFCCVEGCSA-N 1 0 242.363 1.402 10 0 BDAERO CCC[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)[O-] ZINC000038022111 169170653 /nfs/dbraw/zinc/17/06/53/169170653.db2.gz GHYOSZFWLOZVQR-GFCCVEGCSA-N 1 0 242.363 1.657 10 0 BDAERO CCCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1O ZINC000104342183 169180730 /nfs/dbraw/zinc/18/07/30/169180730.db2.gz RFAGMWRYERUWPY-MCIONIFRSA-N 1 0 240.391 1.754 10 0 BDAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](C)[C@@H](C)CC)C1=O ZINC000103319721 169184696 /nfs/dbraw/zinc/18/46/96/169184696.db2.gz LIOYRYUJUKGUPW-HBNTYKKESA-N 1 0 240.347 1.548 10 0 BDAERO CCC[NH+]1CCC(N)(c2noc(C)n2)CC1 ZINC000036762278 169187306 /nfs/dbraw/zinc/18/73/06/169187306.db2.gz ZFIUZORFPLWDTJ-UHFFFAOYSA-N 1 0 224.308 1.038 10 0 BDAERO c1c([C@@H]2CCC[NH2+]C2)nc2n1CCCC2 ZINC000082931198 183321545 /nfs/dbraw/zinc/32/15/45/183321545.db2.gz MRSYNYIZNUVNLY-SNVBAGLBSA-N 1 0 205.305 1.686 10 0 BDAERO c1c[nH]c([C@@H](C2CCC2)N2CC[NH2+]CC2)c1 ZINC000076609713 183326608 /nfs/dbraw/zinc/32/66/08/183326608.db2.gz AJXHYCRBVQALJG-CYBMUJFWSA-N 1 0 219.332 1.761 10 0 BDAERO c1c2n(nc1-c1ccncc1)CCC[NH2+]C2 ZINC000065225660 183329302 /nfs/dbraw/zinc/32/93/02/183329302.db2.gz KPOUOECJWRGZNA-UHFFFAOYSA-N 1 0 214.272 1.438 10 0 BDAERO CCC[NH+]1CCN(C[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000053860718 169202526 /nfs/dbraw/zinc/20/25/26/169202526.db2.gz QPBZORNFHNNVKP-CHWSQXEVSA-N 1 0 225.380 1.141 10 0 BDAERO CCC[NH+]1CCN(C[C@H](C)[NH2+]CC)CC1 ZINC000044471616 169203864 /nfs/dbraw/zinc/20/38/64/169203864.db2.gz GNXQSVYFTTZXDA-LBPRGKRZSA-N 1 0 213.369 1.012 10 0 BDAERO c1cc(CC[NH2+][C@@H]2CCN3CCC[C@H]23)ccn1 ZINC000049567826 183337881 /nfs/dbraw/zinc/33/78/81/183337881.db2.gz YXSFGQQPAFVCQS-ZIAGYGMSSA-N 1 0 231.343 1.450 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1ccccn1 ZINC000076610677 169232864 /nfs/dbraw/zinc/23/28/64/169232864.db2.gz ITMJJRIHNRWFIT-SNVBAGLBSA-N 1 0 221.304 1.040 10 0 BDAERO c1cc(C[NH2+]C[C@@H]2CC23CCOCC3)n[nH]1 ZINC000336684454 183349539 /nfs/dbraw/zinc/34/95/39/183349539.db2.gz SROQWFLHUQJWQE-JTQLQIEISA-N 1 0 221.304 1.316 10 0 BDAERO c1cc(C[NH2+][C@@H]2CN3CCC2CC3)ccn1 ZINC000019946318 183354075 /nfs/dbraw/zinc/35/40/75/183354075.db2.gz TWLXDNVYUJXSHD-CYBMUJFWSA-N 1 0 217.316 1.265 10 0 BDAERO c1cc(COC[C@H]2CCC[NH2+]C2)ccn1 ZINC000051815357 183355372 /nfs/dbraw/zinc/35/53/72/183355372.db2.gz JJVPGVWEWWUBAG-LBPRGKRZSA-N 1 0 206.289 1.598 10 0 BDAERO CCCNC(=O)CN(C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042519258 169219398 /nfs/dbraw/zinc/21/93/98/169219398.db2.gz YJCSQEHBIHIUNN-RYUDHWBXSA-N 1 0 241.379 1.104 10 0 BDAERO CCCNC(=O)CN(C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042519257 169219810 /nfs/dbraw/zinc/21/98/10/169219810.db2.gz YJCSQEHBIHIUNN-NWDGAFQWSA-N 1 0 241.379 1.104 10 0 BDAERO CCC[NH2+]CCC(=O)Nc1nccs1 ZINC000072417556 169256904 /nfs/dbraw/zinc/25/69/04/169256904.db2.gz WTQOHRZSYYPTDI-UHFFFAOYSA-N 1 0 213.306 1.471 10 0 BDAERO c1cc2c(cc1NC[C@H]1CCC[NH2+]1)OCCO2 ZINC000041262988 183369685 /nfs/dbraw/zinc/36/96/85/183369685.db2.gz LLVREZCOWZLUND-LLVKDONJSA-N 1 0 234.299 1.622 10 0 BDAERO CCC[NH2+]C[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000054593641 169262074 /nfs/dbraw/zinc/26/20/74/169262074.db2.gz GSJRNEZDHIECHW-JTQLQIEISA-N 1 0 231.361 1.201 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000033468566 169262242 /nfs/dbraw/zinc/26/22/42/169262242.db2.gz CUQTXAOYXYWJPU-LLVKDONJSA-N 1 0 239.315 1.737 10 0 BDAERO CCCNC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000040596626 169234374 /nfs/dbraw/zinc/23/43/74/169234374.db2.gz WOWSOGDBNPPNJX-JTQLQIEISA-N 1 0 213.325 1.037 10 0 BDAERO CCCNC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000040596623 169234580 /nfs/dbraw/zinc/23/45/80/169234580.db2.gz WOWSOGDBNPPNJX-SNVBAGLBSA-N 1 0 213.325 1.037 10 0 BDAERO CCCNC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916280 169235831 /nfs/dbraw/zinc/23/58/31/169235831.db2.gz MJGTXKDNRVENAQ-LBPRGKRZSA-N 1 0 239.363 1.570 10 0 BDAERO CCCNC(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000037748033 169238552 /nfs/dbraw/zinc/23/85/52/169238552.db2.gz CJOFUXVABNEIPG-SNVBAGLBSA-N 1 0 235.331 1.916 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccccc1F ZINC000076620296 169243858 /nfs/dbraw/zinc/24/38/58/169243858.db2.gz JPTWWLVMCRVXIN-NSHDSACASA-N 1 0 238.306 1.784 10 0 BDAERO CCC[NH2+]C[C@@H]1CNc2ccccc2O1 ZINC000040398004 169262686 /nfs/dbraw/zinc/26/26/86/169262686.db2.gz FHPXDQIYMSEJEN-SNVBAGLBSA-N 1 0 206.289 1.859 10 0 BDAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)CCC ZINC000034937647 169247746 /nfs/dbraw/zinc/24/77/46/169247746.db2.gz OMXNINMWYHSOBG-ZJUUUORDSA-N 1 0 200.326 1.679 10 0 BDAERO CCCNC(=O)[C@H](CC[NH3+])c1ccco1 ZINC000076584921 169248854 /nfs/dbraw/zinc/24/88/54/169248854.db2.gz XEGQZHFJHQZFQK-SECBINFHSA-N 1 0 210.277 1.238 10 0 BDAERO CCCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019502909 169250045 /nfs/dbraw/zinc/25/00/45/169250045.db2.gz UGNAZEPMWMMXCD-OUAUKWLOSA-N 1 0 210.321 1.433 10 0 BDAERO CCCN[C@H](CC[N@@H+]1CCCC1(C)C)C(N)=O ZINC000063072869 169289055 /nfs/dbraw/zinc/28/90/55/169289055.db2.gz HJIIYHUYRCSMBC-LLVKDONJSA-N 1 0 241.379 1.104 10 0 BDAERO c1ccc(C[N@@H+]2CCC[C@@]3(CNCCO3)C2)cc1 ZINC000096964513 183398659 /nfs/dbraw/zinc/39/86/59/183398659.db2.gz VHRYZWKTFXHRDQ-OAHLLOKOSA-N 1 0 246.354 1.641 10 0 BDAERO c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000096895853 183398828 /nfs/dbraw/zinc/39/88/28/183398828.db2.gz BGPZXJMIRVNROD-LSDHHAIUSA-N 1 0 246.354 1.639 10 0 BDAERO CCC[NH2+][C@@H](CCc1cnn(CC)c1)COC ZINC000051696123 169279742 /nfs/dbraw/zinc/27/97/42/169279742.db2.gz HAUFOIXOMOAUHX-ZDUSSCGKSA-N 1 0 239.363 1.850 10 0 BDAERO CCC[NH2+][C@@H]1CCN(c2cccc(OC)c2)C1=O ZINC000049647919 169283095 /nfs/dbraw/zinc/28/30/95/169283095.db2.gz WVXDVKPQVAXKOY-CYBMUJFWSA-N 1 0 248.326 1.800 10 0 BDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1N(C)C[C@@H]1C[C@@H]1C ZINC000104425191 169283399 /nfs/dbraw/zinc/28/33/99/169283399.db2.gz YRXPLDNTSCBESJ-FQUUOJAGSA-N 1 0 240.391 1.731 10 0 BDAERO CCC[NH2+][C@@H]1COc2c(cccc2OC)C1 ZINC000034217556 169283525 /nfs/dbraw/zinc/28/35/25/169283525.db2.gz XPMKCVMRCFIXKU-NSHDSACASA-N 1 0 221.300 1.998 10 0 BDAERO CCCOCCC(=O)N1CCC(C[NH2+]C)CC1 ZINC000063159282 169308643 /nfs/dbraw/zinc/30/86/43/169308643.db2.gz MYQWADCHZRJPBN-UHFFFAOYSA-N 1 0 242.363 1.261 10 0 BDAERO CCCO[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000035234731 169310833 /nfs/dbraw/zinc/31/08/33/169310833.db2.gz YWOVNFDJOGUVQK-JTQLQIEISA-N 1 0 236.315 1.899 10 0 BDAERO CCC[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000049647786 169291493 /nfs/dbraw/zinc/29/14/93/169291493.db2.gz GFUOZJTYQANLTK-LBPRGKRZSA-N 1 0 218.300 1.792 10 0 BDAERO CCC[NH2+][C@H]1CCOC[C@H]1OCCOCCC ZINC000104248658 169292084 /nfs/dbraw/zinc/29/20/84/169292084.db2.gz MLKNEDHLUDZLCE-QWHCGFSZSA-N 1 0 245.363 1.587 10 0 BDAERO c1ccc2c(c1)OC[C@@H](CC1=[NH+]CCN1)O2 ZINC000027744182 183452617 /nfs/dbraw/zinc/45/26/17/183452617.db2.gz PCQUPWRYJQPYBV-SECBINFHSA-N 1 0 218.256 1.218 10 0 BDAERO CCC[C@@H](C(=O)NCc1ccncc1C)[NH+](C)C ZINC000188861725 169344781 /nfs/dbraw/zinc/34/47/81/169344781.db2.gz KZVWJWSLKUFXKN-ZDUSSCGKSA-N 1 0 249.358 1.737 10 0 BDAERO CCCOc1ccccc1C[NH2+]C[C@@H](C)O ZINC000040743847 169326485 /nfs/dbraw/zinc/32/64/85/169326485.db2.gz HGJQLHGMHRJOIM-LLVKDONJSA-N 1 0 223.316 1.946 10 0 BDAERO CCCS(=O)(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000019843976 169329389 /nfs/dbraw/zinc/32/93/89/169329389.db2.gz IDCWKMUQZBSEKD-NSHDSACASA-N 1 0 248.392 1.190 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000037815444 169387868 /nfs/dbraw/zinc/38/78/68/169387868.db2.gz DFCQKRSUTMPPHX-WOPDTQHZSA-N 1 0 240.347 1.284 10 0 BDAERO c1cnn(-c2ccc(NC3CC[NH2+]CC3)cc2)n1 ZINC000038041344 183498783 /nfs/dbraw/zinc/49/87/83/183498783.db2.gz LLYSBTCUBFNYHS-UHFFFAOYSA-N 1 0 243.314 1.431 10 0 BDAERO CCC[C@@H](CCCS(C)(=O)=O)[NH2+]CC ZINC000038085339 169381757 /nfs/dbraw/zinc/38/17/57/169381757.db2.gz IXRPVFLYOSSGQX-JTQLQIEISA-N 1 0 221.366 1.589 10 0 BDAERO CCC[C@@H](CCC[NH3+])C(=O)N1CCCC1 ZINC000076585601 169381954 /nfs/dbraw/zinc/38/19/54/169381954.db2.gz PRYGZNIDPXFKGG-NSHDSACASA-N 1 0 212.337 1.764 10 0 BDAERO CCC[C@@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000022163689 169383598 /nfs/dbraw/zinc/38/35/98/169383598.db2.gz XAJCXZPXZBZNFI-AXFHLTTASA-N 1 0 200.326 1.223 10 0 BDAERO c1cncc(CCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000083604660 183491313 /nfs/dbraw/zinc/49/13/13/183491313.db2.gz YNFYMNLFGHUPFN-CQSZACIVSA-N 1 0 231.343 1.404 10 0 BDAERO CCC[C@@H](Cc1nc(-c2cnccn2)no1)[NH2+]C ZINC000104071672 169387072 /nfs/dbraw/zinc/38/70/72/169387072.db2.gz DSWVNLMYERPFPF-VIFPVBQESA-N 1 0 247.302 1.457 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](CC)CSC ZINC000163312759 169390679 /nfs/dbraw/zinc/39/06/79/169390679.db2.gz LKBNGAGSAFFTKI-DTWKUNHWSA-N 1 0 218.366 1.372 10 0 BDAERO CCC[C@H](C(=O)N1CCCO[C@H](C)C1)[NH+](C)C ZINC000179166468 134318121 /nfs/dbraw/zinc/31/81/21/134318121.db2.gz GPUYEJUWSHFYKV-VXGBXAGGSA-N 1 0 242.363 1.354 10 0 BDAERO C[C@@H]1CN(CCC[NH+]2CCCC2)CCCO1 ZINC000179243131 134318773 /nfs/dbraw/zinc/31/87/73/134318773.db2.gz YJDQVFGFWYPXKE-CYBMUJFWSA-N 1 0 226.364 1.583 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(O)c(C)c1 ZINC000148462836 169392431 /nfs/dbraw/zinc/39/24/31/169392431.db2.gz SKOQCDODXUPIBC-SNVBAGLBSA-N 1 0 222.288 1.767 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(-c2cnoc2C)n1 ZINC000041052518 169394466 /nfs/dbraw/zinc/39/44/66/169394466.db2.gz FPHJIKZMCGMTTF-MRVPVSSYSA-N 1 0 222.248 1.833 10 0 BDAERO CCC[C@@H]([NH3+])c1nnc2cc(C)ncn21 ZINC000050194681 169394728 /nfs/dbraw/zinc/39/47/28/169394728.db2.gz OSZBTQQRTASMIT-MRVPVSSYSA-N 1 0 205.265 1.233 10 0 BDAERO CC[C@H](C)[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000180037736 134325679 /nfs/dbraw/zinc/32/56/79/134325679.db2.gz VNZOVNQWKQBUDH-TUAOUCFPSA-N 1 0 226.364 1.831 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000336732168 169418772 /nfs/dbraw/zinc/41/87/72/169418772.db2.gz JFIPNFITSBVOAA-FRRDWIJNSA-N 1 0 227.348 1.696 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)C1 ZINC000223219147 134338062 /nfs/dbraw/zinc/33/80/62/134338062.db2.gz SWGFGVCEMURISS-IJLUTSLNSA-N 1 0 214.353 1.077 10 0 BDAERO c1nc(COC[C@H]2CCCC[NH2+]2)cs1 ZINC000051815691 183532007 /nfs/dbraw/zinc/53/20/07/183532007.db2.gz ARHDYDASJNBZFP-SECBINFHSA-N 1 0 212.318 1.802 10 0 BDAERO CCC[C@@H](C)C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000182186124 134342596 /nfs/dbraw/zinc/34/25/96/134342596.db2.gz YBJSFVYTXIYSDU-OCCSQVGLSA-N 1 0 240.391 1.875 10 0 BDAERO CCC[C@H]([NH2+]C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488423 169509877 /nfs/dbraw/zinc/50/98/77/169509877.db2.gz UNGUQKZHUPEFRE-VIFPVBQESA-N 1 0 219.288 1.917 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000224438594 134347241 /nfs/dbraw/zinc/34/72/41/134347241.db2.gz DFUYHBDEQNBPIF-HBNTYKKESA-N 1 0 215.362 1.490 10 0 BDAERO CCC[C@](C)([NH3+])C(=O)N(CCOC)[C@@H](C)CC ZINC000042591465 169545467 /nfs/dbraw/zinc/54/54/67/169545467.db2.gz GYQOJOFVVMOJCS-AAEUAGOBSA-N 1 0 244.379 1.777 10 0 BDAERO CCCc1cc(N[C@H]2CC[NH2+]C2)ncn1 ZINC000052093991 169567529 /nfs/dbraw/zinc/56/75/29/169567529.db2.gz NPLIQGDSLNPJMV-JTQLQIEISA-N 1 0 206.293 1.203 10 0 BDAERO COC[C@@H]1CC[N@@H+]([C@H]2CCCC[C@@H]2O)C1 ZINC000226248642 134362153 /nfs/dbraw/zinc/36/21/53/134362153.db2.gz XTMOHCYFXMLMBF-WOPDTQHZSA-N 1 0 213.321 1.258 10 0 BDAERO C([C@@H]1CCSC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226402664 134365944 /nfs/dbraw/zinc/36/59/44/134365944.db2.gz FYVMSBOAAUOJER-NWDGAFQWSA-N 1 0 226.389 1.520 10 0 BDAERO CCOc1cc(NCC[C@H](C)[NH3+])ncn1 ZINC000085482576 134378398 /nfs/dbraw/zinc/37/83/98/134378398.db2.gz OSQGPLRIBICBSV-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BDAERO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CCCO ZINC000087358179 383826608 /nfs/dbraw/zinc/82/66/08/383826608.db2.gz DIGWGMGIZRQQTK-MNOVXSKESA-N 1 0 217.353 1.941 10 0 BDAERO OCc1cccc2c1CCN2C1CC[NH2+]CC1 ZINC000409434914 383840002 /nfs/dbraw/zinc/84/00/02/383840002.db2.gz RGWWNCCVAHCPQH-UHFFFAOYSA-N 1 0 232.327 1.293 10 0 BDAERO Fc1ccc([C@H]2CSCCC[NH2+]2)nc1 ZINC000156485475 383873588 /nfs/dbraw/zinc/87/35/88/383873588.db2.gz KFFJWBYLRUVOLD-SNVBAGLBSA-N 1 0 212.293 1.988 10 0 BDAERO CN[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000050269916 383989942 /nfs/dbraw/zinc/98/99/42/383989942.db2.gz AWXBYWAJCSEWEP-YFKPBYRVSA-N 1 0 235.150 1.730 10 0 BDAERO CN[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000050269836 383991234 /nfs/dbraw/zinc/99/12/34/383991234.db2.gz ISOZYOFWCPGCHW-YFKPBYRVSA-N 1 0 219.082 1.261 10 0 BDAERO Cc1ccc(C)c(NC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000643614210 383995781 /nfs/dbraw/zinc/99/57/81/383995781.db2.gz NLEXXTXAUANHMX-GFCCVEGCSA-N 1 0 248.326 1.478 10 0 BDAERO CC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643614355 383996990 /nfs/dbraw/zinc/99/69/90/383996990.db2.gz SYXFASYARWTODR-VXGBXAGGSA-N 1 0 240.347 1.014 10 0 BDAERO [NH3+]Cc1nc2c(cccc2Br)[nH]1 ZINC000089195185 383942444 /nfs/dbraw/zinc/94/24/44/383942444.db2.gz BMRXKDIZQIWUMK-UHFFFAOYSA-N 1 0 226.077 1.784 10 0 BDAERO CC(=O)c1ccccc1OCC[NH+](C)C ZINC000002035282 383946869 /nfs/dbraw/zinc/94/68/69/383946869.db2.gz PKEROHUSQKVCKS-UHFFFAOYSA-N 1 0 207.273 1.830 10 0 BDAERO CCc1ccc(-c2ccc(NN)[nH+]n2)cc1 ZINC000050194146 383965460 /nfs/dbraw/zinc/96/54/60/383965460.db2.gz JUKNXUFNFGTLRG-UHFFFAOYSA-N 1 0 214.272 1.992 10 0 BDAERO [NH3+][C@H](c1ccc(Cl)s1)[C@@H]1COCCO1 ZINC000055298931 383968799 /nfs/dbraw/zinc/96/87/99/383968799.db2.gz WHTRFPPYDZVQRB-RCOVLWMOSA-N 1 0 233.720 1.817 10 0 BDAERO CCCCN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643614977 384016633 /nfs/dbraw/zinc/01/66/33/384016633.db2.gz SGNIURSHBGSFQZ-LBPRGKRZSA-N 1 0 228.336 1.014 10 0 BDAERO CCCN(CCC)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643614713 384017666 /nfs/dbraw/zinc/01/76/66/384017666.db2.gz IQHVWHPQYJSCKE-ZDUSSCGKSA-N 1 0 242.363 1.404 10 0 BDAERO C[C@@H]([NH3+])Cc1csc([C@H]2CCCO2)n1 ZINC000165585173 384032680 /nfs/dbraw/zinc/03/26/80/384032680.db2.gz ZTRAEHIBQSBEGY-VXNVDRBHSA-N 1 0 212.318 1.884 10 0 BDAERO CS(=O)(=O)c1cc(Cl)cc(C[NH3+])c1 ZINC000115041278 384068579 /nfs/dbraw/zinc/06/85/79/384068579.db2.gz WVPIKPCTRYFRKB-UHFFFAOYSA-N 1 0 219.693 1.202 10 0 BDAERO Cn1cc(C[C@H]([NH3+])c2cccs2)cn1 ZINC000050542369 384078911 /nfs/dbraw/zinc/07/89/11/384078911.db2.gz AZLLFDDWTWGNOG-VIFPVBQESA-N 1 0 207.302 1.724 10 0 BDAERO [NH3+]Cc1ccnc(Sc2nncs2)c1 ZINC000035720230 384100040 /nfs/dbraw/zinc/10/00/40/384100040.db2.gz AEFPKCLAZQMJDX-UHFFFAOYSA-N 1 0 224.314 1.543 10 0 BDAERO CC[NH+](CC)[C@H]1C(=O)O[C@@]2(C)CCOC[C@@H]12 ZINC000039111038 384105420 /nfs/dbraw/zinc/10/54/20/384105420.db2.gz CZJYXHOMMHIACO-UMNHJUIQSA-N 1 0 227.304 1.049 10 0 BDAERO CC(C)[N@H+](C)C[C@@]1(O)CCOC(C)(C)C1 ZINC000039109647 384106967 /nfs/dbraw/zinc/10/69/67/384106967.db2.gz GPRLCNNBEUWACC-GFCCVEGCSA-N 1 0 215.337 1.647 10 0 BDAERO C[C@H](C(=O)N1CCC2(CCCC2)C1)C1C[NH2+]C1 ZINC000310276527 384112741 /nfs/dbraw/zinc/11/27/41/384112741.db2.gz UHPQYOOGUQOMTC-NSHDSACASA-N 1 0 236.359 1.635 10 0 BDAERO C[C@H](NC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733558 384133684 /nfs/dbraw/zinc/13/36/84/384133684.db2.gz INTVECXUDRCWHR-UWVGGRQHSA-N 1 0 225.361 1.793 10 0 BDAERO [NH3+][C@@H]1CCc2cnc(-c3ccccc3)nc2C1 ZINC000091364347 384120210 /nfs/dbraw/zinc/12/02/10/384120210.db2.gz FPCUMQXEXRNXJN-GFCCVEGCSA-N 1 0 225.295 1.960 10 0 BDAERO CCOc1cncc(NC2CC[NH2+]CC2)n1 ZINC000070580064 384122737 /nfs/dbraw/zinc/12/27/37/384122737.db2.gz FOQJINOJYXJELD-UHFFFAOYSA-N 1 0 222.292 1.039 10 0 BDAERO O=C1CCCc2cc(N3CC[NH2+]CC3)ccc21 ZINC000091366511 384122880 /nfs/dbraw/zinc/12/28/80/384122880.db2.gz CJNDZSXKWRHQEQ-UHFFFAOYSA-N 1 0 230.311 1.615 10 0 BDAERO CC(C)(C)OC(=O)[C@@H](O)C[C@@H]([NH3+])C(C)(C)C ZINC000091368755 384123224 /nfs/dbraw/zinc/12/32/24/384123224.db2.gz WJZFYQJUAVWVPT-DTWKUNHWSA-N 1 0 231.336 1.453 10 0 BDAERO COC[C@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188695493 384123990 /nfs/dbraw/zinc/12/39/90/384123990.db2.gz KIZLZBANXAGMSS-JTQLQIEISA-N 1 0 248.326 1.189 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](CCn3cccn3)C2)cn1 ZINC000116315230 384128649 /nfs/dbraw/zinc/12/86/49/384128649.db2.gz NGYFYCBWQDSUSZ-GFCCVEGCSA-N 1 0 245.330 1.106 10 0 BDAERO CC[C@H]([NH3+])c1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000304283700 384160998 /nfs/dbraw/zinc/16/09/98/384160998.db2.gz XUABCTSRYKDLRA-WPRPVWTQSA-N 1 0 226.324 1.095 10 0 BDAERO CCN1CCO[C@H](C[NH2+]Cc2occc2C)C1 ZINC000135178730 384168843 /nfs/dbraw/zinc/16/88/43/384168843.db2.gz FWVMROIZZDJBMI-GFCCVEGCSA-N 1 0 238.331 1.398 10 0 BDAERO Cc1csc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)n1 ZINC000282340838 384236811 /nfs/dbraw/zinc/23/68/11/384236811.db2.gz MDRBIGSIOYINHS-BDAKNGLRSA-N 1 0 239.344 1.208 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CO1 ZINC000401900910 384251312 /nfs/dbraw/zinc/25/13/12/384251312.db2.gz QJRNAQUTQZTCSV-RHYQMDGZSA-N 1 0 213.321 1.305 10 0 BDAERO CC1(C[NH2+]C[C@@H]2CCCC[C@@H]2O)COC1 ZINC000082994796 384273427 /nfs/dbraw/zinc/27/34/27/384273427.db2.gz VBRUCPRRAVFOAM-QWRGUYRKSA-N 1 0 213.321 1.164 10 0 BDAERO CC1(C[NH2+]C[C@H]2CCCC[C@@H]2O)COC1 ZINC000082994798 384274523 /nfs/dbraw/zinc/27/45/23/384274523.db2.gz VBRUCPRRAVFOAM-MNOVXSKESA-N 1 0 213.321 1.164 10 0 BDAERO CC(=O)NCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000142833559 384313716 /nfs/dbraw/zinc/31/37/16/384313716.db2.gz UDTBIRIGUWPMBN-QWHCGFSZSA-N 1 0 240.347 1.156 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000044136043 384316754 /nfs/dbraw/zinc/31/67/54/384316754.db2.gz QXEBYTSFBVBKIK-NWDGAFQWSA-N 1 0 237.274 1.692 10 0 BDAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H](CC)CSC ZINC000163315657 384285790 /nfs/dbraw/zinc/28/57/90/384285790.db2.gz NFTGVMGIPUTXRF-GXSJLCMTSA-N 1 0 232.393 1.762 10 0 BDAERO Cc1cccc2[nH]c([C@H]([NH3+])CCO)nc21 ZINC000043598641 384287007 /nfs/dbraw/zinc/28/70/07/384287007.db2.gz LYGFYCSRMADMMP-MRVPVSSYSA-N 1 0 205.261 1.254 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccco1 ZINC000282453415 384287984 /nfs/dbraw/zinc/28/79/84/384287984.db2.gz VEIPDAZDQAEJMA-GUBZILKMSA-N 1 0 222.288 1.597 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccco1 ZINC000282453422 384288193 /nfs/dbraw/zinc/28/81/93/384288193.db2.gz VEIPDAZDQAEJMA-LPEHRKFASA-N 1 0 222.288 1.597 10 0 BDAERO CCc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)o1 ZINC000282455700 384289121 /nfs/dbraw/zinc/28/91/21/384289121.db2.gz STFCESOANIXYAA-JOYOIKCWSA-N 1 0 236.315 1.599 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccco1 ZINC000282453420 384289235 /nfs/dbraw/zinc/28/92/35/384289235.db2.gz VEIPDAZDQAEJMA-KXUCPTDWSA-N 1 0 222.288 1.597 10 0 BDAERO Nc1c(C[NH3+])cnn1-c1ccc(F)cc1 ZINC000044248676 384321567 /nfs/dbraw/zinc/32/15/67/384321567.db2.gz QBJZLWRZRBQILR-UHFFFAOYSA-N 1 0 206.224 1.052 10 0 BDAERO OC1(CC[N@@H+]2CCN3CCCC[C@@H]3C2)CCC1 ZINC000335473921 384289967 /nfs/dbraw/zinc/28/99/67/384289967.db2.gz DEAKNXIVALJYCV-CYBMUJFWSA-N 1 0 238.375 1.462 10 0 BDAERO O=[S@](Cc1ccc(Cl)nc1)[C@@H]1CC[NH2+]C1 ZINC000095069886 384335101 /nfs/dbraw/zinc/33/51/01/384335101.db2.gz YFAXUISGTPIHMD-PSLIRLAXSA-N 1 0 244.747 1.346 10 0 BDAERO Clc1cc(S[C@@H]2CCC[NH2+]C2)ncn1 ZINC000095070446 384336537 /nfs/dbraw/zinc/33/65/37/384336537.db2.gz XTLPVKXUWLGKHV-SSDOTTSWSA-N 1 0 229.736 1.974 10 0 BDAERO CN(c1nc2ccccc2nc1N)[C@H]1CC[NH2+]C1 ZINC000095070588 384336592 /nfs/dbraw/zinc/33/65/92/384336592.db2.gz QXZOWLRIEKLPCN-VIFPVBQESA-N 1 0 243.314 1.010 10 0 BDAERO CN(CC(=O)c1nccs1)C1CC[NH2+]CC1 ZINC000095070712 384336782 /nfs/dbraw/zinc/33/67/82/384336782.db2.gz UZOGXRLEPHWHTD-UHFFFAOYSA-N 1 0 239.344 1.010 10 0 BDAERO Clc1nccc(S[C@H]2CC[NH2+]C2)n1 ZINC000095070175 384337194 /nfs/dbraw/zinc/33/71/94/384337194.db2.gz YCLNAAWEIZHXPV-LURJTMIESA-N 1 0 215.709 1.584 10 0 BDAERO CN(Cc1ccnc(Cl)n1)[C@@H]1CCC[NH2+]C1 ZINC000095070733 384338233 /nfs/dbraw/zinc/33/82/33/384338233.db2.gz RGDZPMFTIHBYAI-SNVBAGLBSA-N 1 0 240.738 1.314 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)c1ncc(Cl)cn1 ZINC000095070934 384338522 /nfs/dbraw/zinc/33/85/22/384338522.db2.gz YFMDATWMNUQKBR-VIFPVBQESA-N 1 0 226.711 1.318 10 0 BDAERO Cc1ccnc(N(C)C[C@H]2CCC[NH2+]2)c1 ZINC000095070941 384338540 /nfs/dbraw/zinc/33/85/40/384338540.db2.gz OMFIOMXUJJPZOC-LLVKDONJSA-N 1 0 205.305 1.578 10 0 BDAERO Cc1ccc(N(C)C[C@H]2CCC[NH2+]C2)nn1 ZINC000095071051 384338834 /nfs/dbraw/zinc/33/88/34/384338834.db2.gz LPHJWUFPMPUAMO-NSHDSACASA-N 1 0 220.320 1.221 10 0 BDAERO Cc1ccnc(N(C)C[C@@H]2CCC[NH2+]2)c1 ZINC000095070940 384339141 /nfs/dbraw/zinc/33/91/41/384339141.db2.gz OMFIOMXUJJPZOC-NSHDSACASA-N 1 0 205.305 1.578 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)C(=O)c1cccs1 ZINC000095071035 384339548 /nfs/dbraw/zinc/33/95/48/384339548.db2.gz ZQBRLUQHPQZDLW-JTQLQIEISA-N 1 0 238.356 1.820 10 0 BDAERO C[NH2+][C@H]1CCCN(c2ccnc(SC)n2)C1 ZINC000095071428 384340870 /nfs/dbraw/zinc/34/08/70/384340870.db2.gz RNSPUADXORPWIF-VIFPVBQESA-N 1 0 238.360 1.387 10 0 BDAERO CNc1nc2ccccc2nc1N1CC[C@H]([NH3+])C1 ZINC000095071360 384340919 /nfs/dbraw/zinc/34/09/19/384340919.db2.gz UYXWZHMZKKPDAL-VIFPVBQESA-N 1 0 243.314 1.209 10 0 BDAERO C[NH2+][C@H]1CCCN(CC(=O)c2ccco2)C1 ZINC000095071490 384341471 /nfs/dbraw/zinc/34/14/71/384341471.db2.gz WFOVNDHTVFUNCG-JTQLQIEISA-N 1 0 222.288 1.146 10 0 BDAERO CN(Cc1ccnc(Cl)n1)C[C@@H]1CC[NH2+]C1 ZINC000095071294 384342060 /nfs/dbraw/zinc/34/20/60/384342060.db2.gz NCDVWYXBSWPEND-SECBINFHSA-N 1 0 240.738 1.171 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCc1ccncc1 ZINC000095072284 384343180 /nfs/dbraw/zinc/34/31/80/384343180.db2.gz UHLNJSKGNKUQNR-RYUDHWBXSA-N 1 0 205.305 1.441 10 0 BDAERO Nc1nc2ccccc2nc1N1CCC[C@@H]([NH3+])C1 ZINC000095072328 384343258 /nfs/dbraw/zinc/34/32/58/384343258.db2.gz QVGZWEBJSHZMFM-SECBINFHSA-N 1 0 243.314 1.140 10 0 BDAERO [NH3+]C[C@H]1CCCN(Cc2nccnc2Cl)C1 ZINC000095072565 384343337 /nfs/dbraw/zinc/34/33/37/384343337.db2.gz ADMLZRDMIKHCRB-SECBINFHSA-N 1 0 240.738 1.301 10 0 BDAERO O=C(CNC[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000095072772 384345897 /nfs/dbraw/zinc/34/58/97/384345897.db2.gz NQKZAASQUWUQMD-SNVBAGLBSA-N 1 0 238.356 1.663 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](Nc2ccc(F)cn2)C1 ZINC000335581988 384346245 /nfs/dbraw/zinc/34/62/45/384346245.db2.gz PFZVTKAJERXJAP-WCBMZHEXSA-N 1 0 209.268 1.760 10 0 BDAERO O=[S@@](Cc1ccccn1)C[C@@H]1CCCC[NH2+]1 ZINC000095073509 384347318 /nfs/dbraw/zinc/34/73/18/384347318.db2.gz BZLHGSNOSSSFKB-BLLLJJGKSA-N 1 0 238.356 1.472 10 0 BDAERO O=[S@](c1nc2ccccc2[nH]1)[C@H]1CCC[NH2+]C1 ZINC000095073396 384347691 /nfs/dbraw/zinc/34/76/91/384347691.db2.gz JZWMASVTJBGJDZ-HUTHGQBESA-N 1 0 249.339 1.423 10 0 BDAERO O=[S@](C[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095073473 384348090 /nfs/dbraw/zinc/34/80/90/384348090.db2.gz MQNFEMSMFFVWAJ-BONVTDFDSA-N 1 0 224.329 1.331 10 0 BDAERO O=[S@](Cc1ccccn1)C1CC[NH2+]CC1 ZINC000095073432 384348532 /nfs/dbraw/zinc/34/85/32/384348532.db2.gz ADEXREGNBCCLRK-HNNXBMFYSA-N 1 0 224.329 1.082 10 0 BDAERO C[NH2+][C@H]1CCOC[C@H]1Cc1ccc(OC)cc1 ZINC000095075913 384350183 /nfs/dbraw/zinc/35/01/83/384350183.db2.gz QHCSSFRATZCLDF-OCCSQVGLSA-N 1 0 235.327 1.862 10 0 BDAERO C[NH+](C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000095074234 384350515 /nfs/dbraw/zinc/35/05/15/384350515.db2.gz WDPFUWGXYAWFNA-CABCVRRESA-N 1 0 248.370 1.431 10 0 BDAERO C[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(OC)cc1 ZINC000095075911 384351332 /nfs/dbraw/zinc/35/13/32/384351332.db2.gz QHCSSFRATZCLDF-JSGCOSHPSA-N 1 0 235.327 1.862 10 0 BDAERO FC(F)(F)N1CCC[C@H]1C[NH2+]C1CC1 ZINC000095077004 384353091 /nfs/dbraw/zinc/35/30/91/384353091.db2.gz SOPXHFJZGLGUKX-QMMMGPOBSA-N 1 0 208.227 1.723 10 0 BDAERO c1ccc2c(c1)CN([C@@H]1CCC[NH2+]C1)C=[NH+]2 ZINC000095082676 384357546 /nfs/dbraw/zinc/35/75/46/384357546.db2.gz HMIMBFCKNCOGTD-GFCCVEGCSA-N 1 0 215.300 1.914 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC1(C)CCC1 ZINC000335594226 384360531 /nfs/dbraw/zinc/36/05/31/384360531.db2.gz VSHNRSOEHDKDRE-WDEREUQCSA-N 1 0 224.348 1.681 10 0 BDAERO c1ncc(CSC[C@H]2CC[NH2+]C2)s1 ZINC000095092769 384362254 /nfs/dbraw/zinc/36/22/54/384362254.db2.gz SCWASIIRJAXQCM-QMMMGPOBSA-N 1 0 214.359 1.986 10 0 BDAERO Cc1ccc(SC[C@@H]2CCC[NH2+]2)nn1 ZINC000095069156 384332825 /nfs/dbraw/zinc/33/28/25/384332825.db2.gz GBUGDLPZOHGGKZ-VIFPVBQESA-N 1 0 209.318 1.629 10 0 BDAERO Cc1ccc([S@](=O)C[C@@H]2CCCC[NH2+]2)nc1 ZINC000095069053 384332838 /nfs/dbraw/zinc/33/28/38/384332838.db2.gz UMXJLJUHCXULJD-ZBEGNZNMSA-N 1 0 238.356 1.640 10 0 BDAERO Cc1cc(N2CCC[C@@H](C[NH3+])C2)nc(Cl)n1 ZINC000095068824 384333084 /nfs/dbraw/zinc/33/30/84/384333084.db2.gz UWGJDLWRPXZCED-VIFPVBQESA-N 1 0 240.738 1.614 10 0 BDAERO Clc1ccc(S[C@H]2CC[NH2+]C2)nn1 ZINC000095069977 384333919 /nfs/dbraw/zinc/33/39/19/384333919.db2.gz QCEAJBJHEOEBBE-LURJTMIESA-N 1 0 215.709 1.584 10 0 BDAERO Clc1cnc(OC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095070051 384334158 /nfs/dbraw/zinc/33/41/58/384334158.db2.gz UZYCOXHYEZENMR-MRVPVSSYSA-N 1 0 227.695 1.508 10 0 BDAERO Cc1cnc(N2CCC[C@@H](C[NH3+])C2)nc1Cl ZINC000095069322 384334785 /nfs/dbraw/zinc/33/47/85/384334785.db2.gz GVXDQJKLRJJBMW-VIFPVBQESA-N 1 0 240.738 1.614 10 0 BDAERO Cc1nc(C[NH3+])ccc1Br ZINC000095830238 384399956 /nfs/dbraw/zinc/39/99/56/384399956.db2.gz QTQOJGIWUUJCAB-UHFFFAOYSA-N 1 0 201.067 1.611 10 0 BDAERO CC(=O)N[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616675232 384411444 /nfs/dbraw/zinc/41/14/44/384411444.db2.gz PRBGMWIFGFAPRU-GFCCVEGCSA-N 1 0 233.315 1.033 10 0 BDAERO Nc1nccc(-c2c[nH]c3nccc(N)c23)n1 ZINC000095936840 384413722 /nfs/dbraw/zinc/41/37/22/384413722.db2.gz RRDLMWGGVBHQOK-UHFFFAOYSA-N 1 0 226.243 1.184 10 0 BDAERO CS(=O)(=O)Nc1ccc(C2([NH3+])CC2)cc1 ZINC000095938262 384417273 /nfs/dbraw/zinc/41/72/73/384417273.db2.gz NYZVOPUEAAPSKW-UHFFFAOYSA-N 1 0 226.301 1.006 10 0 BDAERO CCCc1noc([C@@H]2CSC[C@@H]2[NH3+])n1 ZINC000134803391 384417870 /nfs/dbraw/zinc/41/78/70/384417870.db2.gz IOILCLCHQNRTGF-RQJHMYQMSA-N 1 0 213.306 1.180 10 0 BDAERO Cc1cc[nH+]c(NC[C@H]2CCC[C@H]2O)c1 ZINC000084233696 384382481 /nfs/dbraw/zinc/38/24/81/384382481.db2.gz PIESFWYXROXAOU-GHMZBOCLSA-N 1 0 206.289 1.963 10 0 BDAERO Cc1ccncc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000135464742 384448959 /nfs/dbraw/zinc/44/89/59/384448959.db2.gz GOHQEHSBMNQRPH-DGCLKSJQSA-N 1 0 220.316 1.641 10 0 BDAERO COC[C@]1(C(=O)N(C)CCC2CC2)CCC[NH2+]1 ZINC000643793413 384453558 /nfs/dbraw/zinc/45/35/58/384453558.db2.gz LSJXNJJJBPXBPH-ZDUSSCGKSA-N 1 0 240.347 1.014 10 0 BDAERO COC(=O)[C@](C)(C[NH3+])c1ccccc1F ZINC000096034580 384427570 /nfs/dbraw/zinc/42/75/70/384427570.db2.gz ORQNRNBAUTXYNV-LLVKDONJSA-N 1 0 211.236 1.215 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(C(N)=O)c1 ZINC000334314247 384438346 /nfs/dbraw/zinc/43/83/46/384438346.db2.gz OXIHHVGHTCPOMB-LDYMZIIASA-N 1 0 247.298 1.132 10 0 BDAERO CC(C)(O)C[NH2+]CCC[C@H]1CCOC1 ZINC000400547044 384440404 /nfs/dbraw/zinc/44/04/04/384440404.db2.gz HYFAUGDAZQLTST-JTQLQIEISA-N 1 0 201.310 1.164 10 0 BDAERO CCC[C@H](CC)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643666521 384443536 /nfs/dbraw/zinc/44/35/36/384443536.db2.gz OYKPZGHFVLWEIV-WCQYABFASA-N 1 0 242.363 1.450 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)CO[C@H](C)COC ZINC000300579692 259651769 /nfs/dbraw/zinc/65/17/69/259651769.db2.gz HVIMETHNQDIENN-NDBYEHHHSA-N 1 0 245.363 1.177 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000149613258 384483361 /nfs/dbraw/zinc/48/33/61/384483361.db2.gz LHHONDOTWIEBSA-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO [NH3+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000097139095 384499414 /nfs/dbraw/zinc/49/94/14/384499414.db2.gz WFJWXIKCMZYEEP-LURJTMIESA-N 1 0 219.210 1.423 10 0 BDAERO CC(C)COC(=O)c1ccc(C[NH3+])cc1 ZINC000048634686 384500209 /nfs/dbraw/zinc/50/02/09/384500209.db2.gz NYAWTNILDRVZIO-UHFFFAOYSA-N 1 0 207.273 1.958 10 0 BDAERO CC[C@H]1CN(c2ncc(Cl)cn2)CC[C@@H]1[NH3+] ZINC000168075207 384502136 /nfs/dbraw/zinc/50/21/36/384502136.db2.gz XGUUUWGEVZXCEJ-WPRPVWTQSA-N 1 0 240.738 1.694 10 0 BDAERO OCC[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000400593066 384511071 /nfs/dbraw/zinc/51/10/71/384511071.db2.gz BCEWMFAYBZYXTN-CHWSQXEVSA-N 1 0 227.348 1.507 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)Cc1cccc(Br)c1 ZINC000096985930 384486402 /nfs/dbraw/zinc/48/64/02/384486402.db2.gz SEWGHWTYHOOGIV-XCBNKYQSSA-N 1 0 244.132 1.700 10 0 BDAERO CN(C)c1ccc(N[C@@H]2CCC[NH2+]CC2)cn1 ZINC000097053981 384492868 /nfs/dbraw/zinc/49/28/68/384492868.db2.gz WEEPSNPAXFSEPX-LLVKDONJSA-N 1 0 234.347 1.702 10 0 BDAERO C[C@@H](N=c1[nH]c2ccccc2s1)[C@H](C)[NH3+] ZINC000335846174 384528614 /nfs/dbraw/zinc/52/86/14/384528614.db2.gz IFIZFLZNOPETRR-JGVFFNPUSA-N 1 0 221.329 1.866 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1cnc2ccccc2c1 ZINC000305969598 384559868 /nfs/dbraw/zinc/55/98/68/384559868.db2.gz BKWJCMUQQSNING-SNVBAGLBSA-N 1 0 243.310 1.702 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(F)cc1 ZINC000052395703 384539183 /nfs/dbraw/zinc/53/91/83/384539183.db2.gz NYZUEDIZSUPWGR-SECBINFHSA-N 1 0 224.279 1.392 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403142875 384573158 /nfs/dbraw/zinc/57/31/58/384573158.db2.gz WOTXXYPDIVLXAX-UJPOAAIJSA-N 1 0 236.359 1.394 10 0 BDAERO Cc1ccnc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000184107646 384566791 /nfs/dbraw/zinc/56/67/91/384566791.db2.gz NBADHOZPZJPQJD-NSHDSACASA-N 1 0 248.330 1.558 10 0 BDAERO Cn1c2c(nc1[C@H]1CCC[NH2+]1)CCCC2 ZINC000049813293 384567522 /nfs/dbraw/zinc/56/75/22/384567522.db2.gz NQXKRAODFBYQRD-SNVBAGLBSA-N 1 0 205.305 1.723 10 0 BDAERO CC[C@@H](CO)[NH2+][C@H](C)CC(C)(C)OC ZINC000020524747 384621883 /nfs/dbraw/zinc/62/18/83/384621883.db2.gz KBQCZHCLPZZVFO-ZJUUUORDSA-N 1 0 203.326 1.551 10 0 BDAERO C[C@@H](CCc1ccco1)[NH2+]CC1CC(O)C1 ZINC000084446670 384623843 /nfs/dbraw/zinc/62/38/43/384623843.db2.gz HEUKHHNMAUIMAL-UNXYVOJBSA-N 1 0 223.316 1.961 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[C@@H]2[NH3+] ZINC000100234965 384625161 /nfs/dbraw/zinc/62/51/61/384625161.db2.gz PFWPGTVCPOJKKL-JXUBOQSCSA-N 1 0 226.320 1.637 10 0 BDAERO [NH3+][C@@H](CCO)[C@H]1CCCCN1Cc1ccccc1 ZINC000100278754 384631121 /nfs/dbraw/zinc/63/11/21/384631121.db2.gz MGUFXDGIOHHUKA-LSDHHAIUSA-N 1 0 248.370 1.751 10 0 BDAERO CC(=O)[C@H](C[NH3+])Cc1ccc2c(c1)CCN2C ZINC000098096022 384592228 /nfs/dbraw/zinc/59/22/28/384592228.db2.gz DFIJMBWHIYANQN-ZDUSSCGKSA-N 1 0 232.327 1.385 10 0 BDAERO Cc1ccc(C[C@@H]2COCC[C@H]2[NH3+])cc1 ZINC000082379460 384676180 /nfs/dbraw/zinc/67/61/80/384676180.db2.gz RHBHAUPGYWTXLL-CHWSQXEVSA-N 1 0 205.301 1.901 10 0 BDAERO CC[C@H]([NH2+]C[C@@](C)(O)COC)C(C)(C)C ZINC000380344434 384676258 /nfs/dbraw/zinc/67/62/58/384676258.db2.gz SSHHCYRTBVFWHG-CMPLNLGQSA-N 1 0 217.353 1.798 10 0 BDAERO CC(C)(C)OC(=O)N1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000082359728 384671731 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/nfs/dbraw/zinc/68/32/92/384683292.db2.gz MEXQQRAOQNUFMW-NSHDSACASA-N 1 0 240.372 1.477 10 0 BDAERO C[C@H](C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1)C(C)(C)C ZINC000647541214 384685565 /nfs/dbraw/zinc/68/55/65/384685565.db2.gz MIWRWKCTBJJIMR-JHJVBQTASA-N 1 0 240.391 1.731 10 0 BDAERO Cc1scc(CN[C@@H]2CC[NH2+]C2)c1C ZINC000306889143 384691856 /nfs/dbraw/zinc/69/18/56/384691856.db2.gz SUJPTHCFWVTLKY-LLVKDONJSA-N 1 0 210.346 1.816 10 0 BDAERO CN(Cc1ccccn1)C[C@H]1CC[NH2+]C1 ZINC000051889948 384699753 /nfs/dbraw/zinc/69/97/53/384699753.db2.gz IJYXRPHIMACLAO-NSHDSACASA-N 1 0 205.305 1.123 10 0 BDAERO Cc1cc(C)nc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000051918808 384699887 /nfs/dbraw/zinc/69/98/87/384699887.db2.gz GLCBXCSXSAGZOR-LBPRGKRZSA-N 1 0 235.331 1.862 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000309910460 384706161 /nfs/dbraw/zinc/70/61/61/384706161.db2.gz MKRXGKJUOFFYLS-KXNHARMFSA-N 1 0 227.348 1.551 10 0 BDAERO CSCCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000173653497 384706443 /nfs/dbraw/zinc/70/64/43/384706443.db2.gz UILXUCWSVSMZIV-LLVKDONJSA-N 1 0 239.388 1.963 10 0 BDAERO Cn1cccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000051995314 384706701 /nfs/dbraw/zinc/70/67/01/384706701.db2.gz NFEMLICXBCMJOU-NWDGAFQWSA-N 1 0 208.305 1.418 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC000648185326 384717705 /nfs/dbraw/zinc/71/77/05/384717705.db2.gz UDAJUGUKBFCYAC-HTAVTVPLSA-N 1 0 236.359 1.823 10 0 BDAERO Cc1cc(C)nc(N2CCC(CC[NH3+])CC2)n1 ZINC000053705773 384720065 /nfs/dbraw/zinc/72/00/65/384720065.db2.gz FCNKPPYNIYYEDH-UHFFFAOYSA-N 1 0 234.347 1.659 10 0 BDAERO [NH3+]Cc1cn(CCc2ccc(Cl)cc2)nn1 ZINC000308514364 384778433 /nfs/dbraw/zinc/77/84/33/384778433.db2.gz ULPMMEGWPHWBFY-UHFFFAOYSA-N 1 0 236.706 1.633 10 0 BDAERO Clc1ccc(NC[C@H]2CCC[NH2+]2)nn1 ZINC000053255044 384778739 /nfs/dbraw/zinc/77/87/39/384778739.db2.gz CBABBRHVKOIBFB-SSDOTTSWSA-N 1 0 212.684 1.294 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCc1ccsc1 ZINC000054076604 384729055 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/nfs/dbraw/zinc/01/36/55/385013655.db2.gz MNKLHMIBLFLWKF-UHFFFAOYSA-N 1 0 215.337 1.431 10 0 BDAERO Cn1cc([C@H]2CCC[N@@H+]2CCC(C)(C)O)cn1 ZINC000310300562 384961524 /nfs/dbraw/zinc/96/15/24/384961524.db2.gz BLWDILYJISYAIC-GFCCVEGCSA-N 1 0 237.347 1.718 10 0 BDAERO CN(Cc1cnc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000086777861 385047739 /nfs/dbraw/zinc/04/77/39/385047739.db2.gz ZLAXOTAGZXMBTR-QMMMGPOBSA-N 1 0 245.779 1.980 10 0 BDAERO C[n+]1ccc(-c2nc3ccc(N)cc3o2)cc1 ZINC000226777855 385050923 /nfs/dbraw/zinc/05/09/23/385050923.db2.gz XLRWTUYEGPQGSV-UHFFFAOYSA-O 1 0 226.259 1.902 10 0 BDAERO CC[C@@H]([NH2+]CCOCCO)C(C)(C)C ZINC000308755801 385071814 /nfs/dbraw/zinc/07/18/14/385071814.db2.gz WGWUQTLCAIYGJQ-SNVBAGLBSA-N 1 0 203.326 1.410 10 0 BDAERO C[C@@H]1C[C@H](C[NH2+]CC(C)(C)O)[C@@H](C)O1 ZINC000642718352 385033565 /nfs/dbraw/zinc/03/35/65/385033565.db2.gz FIFLESWIVHCAHL-OPRDCNLKSA-N 1 0 201.310 1.160 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CC12CC2 ZINC000424219769 385129498 /nfs/dbraw/zinc/12/94/98/385129498.db2.gz FFOJWSLIAVDDFN-LPEHRKFASA-N 1 0 208.305 1.043 10 0 BDAERO CC[C@H](CO)[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000345847492 385138577 /nfs/dbraw/zinc/13/85/77/385138577.db2.gz YXVHWEMOHWGFBJ-NXEZZACHSA-N 1 0 203.326 1.096 10 0 BDAERO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)o1 ZINC000408048066 385171844 /nfs/dbraw/zinc/17/18/44/385171844.db2.gz KTYJCMINRJVJNK-FKTZTGRPSA-N 1 0 237.303 1.097 10 0 BDAERO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000309182472 385201195 /nfs/dbraw/zinc/20/11/95/385201195.db2.gz NZMOBSNKHKCOSA-UTLUCORTSA-N 1 0 212.293 1.263 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCC3(CCCC3)C2)C1 ZINC000157430380 385177881 /nfs/dbraw/zinc/17/78/81/385177881.db2.gz XWLICAJVSMVVLP-NEPJUHHUSA-N 1 0 236.359 1.907 10 0 BDAERO Cc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)c(C)n1 ZINC000164665204 385223723 /nfs/dbraw/zinc/22/37/23/385223723.db2.gz FPIJMLLBKYTNJK-SECBINFHSA-N 1 0 233.315 1.492 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCC(C)C)C1 ZINC000344065205 385249659 /nfs/dbraw/zinc/24/96/59/385249659.db2.gz SEMYJCPGEBPGNY-VXGBXAGGSA-N 1 0 215.337 1.504 10 0 BDAERO FC(F)(F)c1ccn(C[C@H]2CCC[NH2+]C2)n1 ZINC000043472202 385305507 /nfs/dbraw/zinc/30/55/07/385305507.db2.gz JYCBSKZSTKOIMM-QMMMGPOBSA-N 1 0 233.237 1.902 10 0 BDAERO C[NH2+]C(C)(C)CN1C(=O)c2ccccc2C1=O ZINC000259346442 385305758 /nfs/dbraw/zinc/30/57/58/385305758.db2.gz SSZUIAAVWAMMMY-UHFFFAOYSA-N 1 0 232.283 1.281 10 0 BDAERO [NH3+]Cc1cn(-c2ccc(F)c(F)c2F)nn1 ZINC000050224108 385311532 /nfs/dbraw/zinc/31/15/32/385311532.db2.gz OMXSMELCGPFYRB-UHFFFAOYSA-N 1 0 228.177 1.143 10 0 BDAERO CCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000050224128 385311823 /nfs/dbraw/zinc/31/18/23/385311823.db2.gz SHPYBAJRTYHNOF-UHFFFAOYSA-N 1 0 202.261 1.288 10 0 BDAERO C[C@@H]1CC[C@H](NC(=O)CC(F)(F)F)C[NH2+]1 ZINC000164690318 385270311 /nfs/dbraw/zinc/27/03/11/385270311.db2.gz WNWMHHDNGQTNER-RQJHMYQMSA-N 1 0 224.226 1.196 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1COCCO1)C(C)(C)C ZINC000308902894 385274266 /nfs/dbraw/zinc/27/42/66/385274266.db2.gz BRTFLXOCAGCXPW-GHMZBOCLSA-N 1 0 215.337 1.816 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000052287390 385274454 /nfs/dbraw/zinc/27/44/54/385274454.db2.gz VTRCVDOHEYMHIA-LDYMZIIASA-N 1 0 204.273 1.284 10 0 BDAERO c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC=CO1 ZINC000191104631 385283134 /nfs/dbraw/zinc/28/31/34/385283134.db2.gz CHTSUZPWRLXIPH-MNOVXSKESA-N 1 0 234.303 1.395 10 0 BDAERO CC(F)(F)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000409424405 385332446 /nfs/dbraw/zinc/33/24/46/385332446.db2.gz BUSWBQYNBILFSU-NXEZZACHSA-N 1 0 246.301 1.632 10 0 BDAERO N[C@H](C[NH3+])c1cccc(F)c1Br ZINC000072201277 385333480 /nfs/dbraw/zinc/33/34/80/385333480.db2.gz OFRLYVPJMIWMDJ-SSDOTTSWSA-N 1 0 233.084 1.547 10 0 BDAERO C[C@@H](CO)[NH2+]C1CC(c2ccccn2)C1 ZINC000308989317 385334875 /nfs/dbraw/zinc/33/48/75/385334875.db2.gz KRWZVMDYZINZDB-WHXUTIOJSA-N 1 0 206.289 1.298 10 0 BDAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000643982528 385348273 /nfs/dbraw/zinc/34/82/73/385348273.db2.gz SUDRXTKEKMCTGW-UWVGGRQHSA-N 1 0 248.317 1.782 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccccn1 ZINC000294992000 385365131 /nfs/dbraw/zinc/36/51/31/385365131.db2.gz KVAOATZQZBZIEH-PWSUYJOCSA-N 1 0 206.289 1.427 10 0 BDAERO Cc1ccoc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000289752791 385376912 /nfs/dbraw/zinc/37/69/12/385376912.db2.gz QREWQUFPVCAIDX-GHMZBOCLSA-N 1 0 209.289 1.933 10 0 BDAERO CC[C@H](COC)[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000309031362 385378796 /nfs/dbraw/zinc/37/87/96/385378796.db2.gz DYUYJXVYCZBFSX-UTUOFQBUSA-N 1 0 214.353 1.341 10 0 BDAERO COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](OC)C1CC1 ZINC000400244073 385386376 /nfs/dbraw/zinc/38/63/76/385386376.db2.gz LECOHYUNDWOTTK-NWDGAFQWSA-N 1 0 241.331 1.439 10 0 BDAERO [NH2+]=C(CN1CC=C(c2ccccc2)CC1)NO ZINC000409428884 385327173 /nfs/dbraw/zinc/32/71/73/385327173.db2.gz PNTRULPPBKTRGA-UHFFFAOYSA-N 1 0 231.299 1.732 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cccs1 ZINC000335598059 385426852 /nfs/dbraw/zinc/42/68/52/385426852.db2.gz RSGBFEIMWIFVPX-GXSJLCMTSA-N 1 0 238.356 1.752 10 0 BDAERO c1cnc(-c2n[nH]c([C@@H]3CCCC[NH2+]3)n2)cn1 ZINC000169676319 385416426 /nfs/dbraw/zinc/41/64/26/385416426.db2.gz QHPAEAFYXCGMRJ-QMMMGPOBSA-N 1 0 230.275 1.076 10 0 BDAERO Cc1cnc(C[C@@H]2CC[NH2+]C2)n1CC1CC1 ZINC000169676757 385417681 /nfs/dbraw/zinc/41/76/81/385417681.db2.gz HKSRFCXXYNMXJV-LBPRGKRZSA-N 1 0 219.332 1.754 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000378664539 385457988 /nfs/dbraw/zinc/45/79/88/385457988.db2.gz FFHQOZKNAMALQU-WRWORJQWSA-N 1 0 231.217 1.574 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccsc2)C1 ZINC000170863443 385452064 /nfs/dbraw/zinc/45/20/64/385452064.db2.gz ZGBVTSHTOGBZHH-NSHDSACASA-N 1 0 238.356 1.453 10 0 BDAERO Cc1cnn(CC[NH2+]C[C@H]2CCC=CO2)c1 ZINC000194398125 385433196 /nfs/dbraw/zinc/43/31/96/385433196.db2.gz PULGZGVVZFYHHP-GFCCVEGCSA-N 1 0 221.304 1.474 10 0 BDAERO C[C@H]1C[C@]2(CC[N@@H+]1C)[NH2+]C(C)(C)CS2 ZINC000156990722 385479584 /nfs/dbraw/zinc/47/95/84/385479584.db2.gz MVMGRQSXKKYAPO-GXSJLCMTSA-N 1 0 214.378 1.912 10 0 BDAERO Clc1cnc(N[C@H]2CC[NH2+]C2)s1 ZINC000642993521 385496541 /nfs/dbraw/zinc/49/65/41/385496541.db2.gz JBWWSAQDQUDVHM-YFKPBYRVSA-N 1 0 203.698 1.570 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)o1 ZINC000282152455 385512288 /nfs/dbraw/zinc/51/22/88/385512288.db2.gz CTYYHQZYNKGIKU-OUAUKWLOSA-N 1 0 236.315 1.906 10 0 BDAERO N[C@@H](CC[NH3+])c1cc(Br)cs1 ZINC000259516730 385532086 /nfs/dbraw/zinc/53/20/86/385532086.db2.gz VOCLOWJHLBMMJJ-LURJTMIESA-N 1 0 235.150 1.859 10 0 BDAERO NC1=[NH+][C@H](c2ccc(Cl)cc2)COC1 ZINC000258079186 385534048 /nfs/dbraw/zinc/53/40/48/385534048.db2.gz METXRIMGSWARNI-VIFPVBQESA-N 1 0 210.664 1.769 10 0 BDAERO Cc1nc(COC2CC[NH2+]CC2)cs1 ZINC000036963149 385593701 /nfs/dbraw/zinc/59/37/01/385593701.db2.gz WYSGLJPUDGGVFI-UHFFFAOYSA-N 1 0 212.318 1.720 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000336675408 385596627 /nfs/dbraw/zinc/59/66/27/385596627.db2.gz BAOGHEVUDUICQI-NOOOWODRSA-N 1 0 224.348 1.822 10 0 BDAERO C[NH2+][C@@H](C(N)=O)c1csc2ccccc21 ZINC000054464945 385597251 /nfs/dbraw/zinc/59/72/51/385597251.db2.gz WFZSRECPVDUKFB-SNVBAGLBSA-N 1 0 220.297 1.647 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCN2CCC2)C1(C)C ZINC000309471948 385601064 /nfs/dbraw/zinc/60/10/64/385601064.db2.gz QVSDVJPBQUAZOX-QJPTWQEYSA-N 1 0 226.364 1.341 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCC(C)(OC)CC1 ZINC000336676595 385604433 /nfs/dbraw/zinc/60/44/33/385604433.db2.gz HTOZIJIXGRKMLD-NSHDSACASA-N 1 0 215.337 1.648 10 0 BDAERO CC[C@@H](C[N@@H+]1CCN2CCCC[C@H]2C1)OC ZINC000309419169 385578777 /nfs/dbraw/zinc/57/87/77/385578777.db2.gz XTAIOJPWFFKEDD-STQMWFEESA-N 1 0 226.364 1.582 10 0 BDAERO [NH3+]CCCc1cnn(-c2ccccn2)c1 ZINC000054670236 385630610 /nfs/dbraw/zinc/63/06/10/385630610.db2.gz UXOZMTHWLIWZRE-UHFFFAOYSA-N 1 0 202.261 1.159 10 0 BDAERO CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336650312 385612556 /nfs/dbraw/zinc/61/25/56/385612556.db2.gz APZSYDPFDHSWFB-NXEZZACHSA-N 1 0 203.301 1.875 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccncc1 ZINC000309503231 385639921 /nfs/dbraw/zinc/63/99/21/385639921.db2.gz BKSCIZIDNIICTA-JHEVNIALSA-N 1 0 218.300 1.625 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000055421331 385642906 /nfs/dbraw/zinc/64/29/06/385642906.db2.gz MQCCEXFMIOBIIB-MRVPVSSYSA-N 1 0 236.271 1.004 10 0 BDAERO COc1ccc([C@@H]([NH3+])[C@H](C)O)c(OC)c1 ZINC000041225503 385678580 /nfs/dbraw/zinc/67/85/80/385678580.db2.gz NSMUMAQWGCHTAT-CPCISQLKSA-N 1 0 211.261 1.084 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCCc2ccccc2C1 ZINC000062945910 385684664 /nfs/dbraw/zinc/68/46/64/385684664.db2.gz JFCPBWXVHCXCSL-CYBMUJFWSA-N 1 0 244.338 1.571 10 0 BDAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCCCO)C1(C)C ZINC000309588929 385718065 /nfs/dbraw/zinc/71/80/65/385718065.db2.gz TZBQYIKSBSIVNE-IJLUTSLNSA-N 1 0 229.364 1.798 10 0 BDAERO Cc1ccc2c(c1)CC(=O)N2C[C@@H]1C[C@@H]1[NH3+] ZINC000211938513 385701588 /nfs/dbraw/zinc/70/15/88/385701588.db2.gz WOBQUWWQRASFQH-QWRGUYRKSA-N 1 0 216.284 1.231 10 0 BDAERO Cc1c(C[NH2+]CCC[C@H](C)CO)cnn1C ZINC000230158303 385712444 /nfs/dbraw/zinc/71/24/44/385712444.db2.gz PLDVVTGAEWTYOK-JTQLQIEISA-N 1 0 225.336 1.227 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCOC(C)(C)C1 ZINC000309581856 385713479 /nfs/dbraw/zinc/71/34/79/385713479.db2.gz QPFMFTZMZGHVKB-JTQLQIEISA-N 1 0 228.336 1.141 10 0 BDAERO [NH3+][C@H]1CCN(c2ccsc2Cl)C1=O ZINC000306963962 385730042 /nfs/dbraw/zinc/73/00/42/385730042.db2.gz DBLDEMNYPYGJJP-YFKPBYRVSA-N 1 0 216.693 1.466 10 0 BDAERO COc1cc(C)nc(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000214098008 385803898 /nfs/dbraw/zinc/80/38/98/385803898.db2.gz JXYJYXOCXNZBJT-ZWNOBZJWSA-N 1 0 236.315 1.666 10 0 BDAERO CNc1ccc([C@H]2CC[N@H+](CCO)C2)cc1 ZINC000616612941 385805521 /nfs/dbraw/zinc/80/55/21/385805521.db2.gz BXVWBVKFTNWYFP-LBPRGKRZSA-N 1 0 220.316 1.510 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000231643329 385808844 /nfs/dbraw/zinc/80/88/44/385808844.db2.gz KXQXIKGBDRYZIU-SCZZXKLOSA-N 1 0 232.283 1.516 10 0 BDAERO CCC[C@@H]1C[C@@H]1Nc1ncnc2c1cnn2C ZINC000231662200 385811508 /nfs/dbraw/zinc/81/15/08/385811508.db2.gz JHLWURLIUYNACS-SCZZXKLOSA-N 1 0 231.303 1.964 10 0 BDAERO O=c1[nH]c([C@@H]2CSCC[NH2+]2)cs1 ZINC000231876227 385840748 /nfs/dbraw/zinc/84/07/48/385840748.db2.gz BRKYIELIKJFQCN-YFKPBYRVSA-N 1 0 202.304 1.226 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000215989667 385855626 /nfs/dbraw/zinc/85/56/26/385855626.db2.gz CRAFMMBFLQNKFY-RYUDHWBXSA-N 1 0 237.274 1.692 10 0 BDAERO C[C@H]1CC[C@H](N(C)C2C[NH2+]C2)CS1 ZINC000575535500 385901257 /nfs/dbraw/zinc/90/12/57/385901257.db2.gz OFWPKPMRRWPLSJ-IUCAKERBSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@]1(C[C@@H]2CCOC2)[NH2+]CCCS1 ZINC000575534956 385902024 /nfs/dbraw/zinc/90/20/24/385902024.db2.gz YYYIEIPGRYGYAV-UWVGGRQHSA-N 1 0 201.335 1.856 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C2CC(O)C2)CS1 ZINC000575535567 385902218 /nfs/dbraw/zinc/90/22/18/385902218.db2.gz QNHCAFVNJQYCFL-XHHQTKHESA-N 1 0 201.335 1.383 10 0 BDAERO C[C@@H]1CC[C@@]2(CC[NH2+][C@@H]2CO)CS1 ZINC000575535237 385903298 /nfs/dbraw/zinc/90/32/98/385903298.db2.gz RYXWFLKNLZHLQP-OPRDCNLKSA-N 1 0 201.335 1.243 10 0 BDAERO C[C@@H]1CC[C@@H](N2CC[NH2+]CC2)CS1 ZINC000575535454 385904316 /nfs/dbraw/zinc/90/43/16/385904316.db2.gz MELUPWBQTDCZAB-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]1C[C@H](NC2=[NH+]CCS2)[C@@H](C)O1 ZINC000307095605 385905657 /nfs/dbraw/zinc/90/56/57/385905657.db2.gz CKUXSDZVGMGOGQ-PRJMDXOYSA-N 1 0 200.307 1.245 10 0 BDAERO CNC(=[NH2+])c1ccc(Br)cc1 ZINC000062994487 385917199 /nfs/dbraw/zinc/91/71/99/385917199.db2.gz XPOPPVPHPSQDBN-UHFFFAOYSA-N 1 0 213.078 1.994 10 0 BDAERO FC1(F)CCC[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000335035749 385925750 /nfs/dbraw/zinc/92/57/50/385925750.db2.gz YPWLDECCPYKRAI-BDAKNGLRSA-N 1 0 204.264 1.516 10 0 BDAERO C[C@H]1CN(C(=[NH2+])NCc2ccccc2)CC[C@@H]1O ZINC000307050022 385864057 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/nfs/dbraw/zinc/95/87/31/385958731.db2.gz JVAMKJHGYATLAN-NWDGAFQWSA-N 1 0 238.356 1.229 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCc1ccccc1 ZINC000072114791 385967759 /nfs/dbraw/zinc/96/77/59/385967759.db2.gz VCKOJWNPRZBZKV-NSHDSACASA-N 1 0 220.316 1.676 10 0 BDAERO Cc1ncc([C@]2([NH3+])CSC[C@H]2C)s1 ZINC000575558272 386002343 /nfs/dbraw/zinc/00/23/43/386002343.db2.gz CDGDVAFFDHHZJK-MUWHJKNJSA-N 1 0 214.359 1.988 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]12 ZINC000309405459 386007479 /nfs/dbraw/zinc/00/74/79/386007479.db2.gz VWBOUHQPOBLXMQ-YVECIDJPSA-N 1 0 224.348 1.225 10 0 BDAERO CCOC(=O)C1CCC2(CC[NH2+]C2)CC1 ZINC000261285767 386015805 /nfs/dbraw/zinc/01/58/05/386015805.db2.gz XLTLZWLJRAVCCN-UHFFFAOYSA-N 1 0 211.305 1.719 10 0 BDAERO C[C@H]1N(Cc2ccccc2)CC[C@@]1(C)[NH3+] ZINC000575562188 386028218 /nfs/dbraw/zinc/02/82/18/386028218.db2.gz YYYPAMRIHZJRRD-DGCLKSJQSA-N 1 0 204.317 1.998 10 0 BDAERO C[C@@]1([C@@H]2CCCCO2)[NH2+]CCCS1 ZINC000575563973 386054959 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O[C@@H]1CC[C@H]2C[N@H+](CCc3cccnc3)C[C@@H]2C1 ZINC000398760357 386984225 /nfs/dbraw/zinc/98/42/25/386984225.db2.gz HIQHKBYEWRSKCK-SOUVJXGZSA-N 1 0 246.354 1.717 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@H]2C1 ZINC000398772412 386987986 /nfs/dbraw/zinc/98/79/86/386987986.db2.gz LAUOIBPGIVJGSW-JHJVBQTASA-N 1 0 209.333 1.879 10 0 BDAERO Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)n1 ZINC000398684908 386948344 /nfs/dbraw/zinc/94/83/44/386948344.db2.gz AMJHTTSWNPZANS-KCQAQPDRSA-N 1 0 246.354 1.983 10 0 BDAERO CO[C@](C)(C[NH3+])COCc1ccccc1 ZINC000238410946 387032799 /nfs/dbraw/zinc/03/27/99/387032799.db2.gz HELYWKYLNYYXDZ-GFCCVEGCSA-N 1 0 209.289 1.567 10 0 BDAERO [NH2+]=C(CNc1cncc(Cl)c1)NO ZINC000575462755 387033085 /nfs/dbraw/zinc/03/30/85/387033085.db2.gz KNMJPZGNTZFRBJ-UHFFFAOYSA-N 1 0 200.629 1.103 10 0 BDAERO C[NH+]1CCC(n2ccc(Br)n2)CC1 ZINC000575464148 387045093 /nfs/dbraw/zinc/04/50/93/387045093.db2.gz JRCBJIRLYHDLKC-UHFFFAOYSA-N 1 0 244.136 1.912 10 0 BDAERO Cc1nc(C(=O)N2CCN3CCCC[C@@H]3C2)c[nH]1 ZINC000264861836 387055120 /nfs/dbraw/zinc/05/51/20/387055120.db2.gz PMEFTMVSVDLKGS-LLVKDONJSA-N 1 0 248.330 1.028 10 0 BDAERO C[C@@H]1CN([C@@]2(C[NH3+])CCSC2)[C@@H]1C ZINC000575582761 387060957 /nfs/dbraw/zinc/06/09/57/387060957.db2.gz HPQJJGYVZZTTQK-OPRDCNLKSA-N 1 0 200.351 1.161 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000425372675 387014275 /nfs/dbraw/zinc/01/42/75/387014275.db2.gz UBVBNKGKNBGEEJ-DCAQKATOSA-N 1 0 214.378 1.564 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+]CCOC)C12CCOCC2 ZINC000186200676 387076453 /nfs/dbraw/zinc/07/64/53/387076453.db2.gz RSMYMMVWVXNSTG-RYUDHWBXSA-N 1 0 243.347 1.197 10 0 BDAERO c1c[nH]c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)n1 ZINC000228348825 387082576 /nfs/dbraw/zinc/08/25/76/387082576.db2.gz TYKRPERDNSPLSO-HBNTYKKESA-N 1 0 221.304 1.457 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000070939217 387085685 /nfs/dbraw/zinc/08/56/85/387085685.db2.gz IRZAYQIXMGYKBE-CYBMUJFWSA-N 1 0 243.310 1.536 10 0 BDAERO COc1cc([C@@]2([NH3+])CCSC2)sn1 ZINC000575468746 387088477 /nfs/dbraw/zinc/08/84/77/387088477.db2.gz AHHHPILYMQSNLO-MRVPVSSYSA-N 1 0 216.331 1.443 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1c1nc(C2CC2)no1 ZINC000071001043 387088607 /nfs/dbraw/zinc/08/86/07/387088607.db2.gz SYHZGHIYBCXHEG-IUCAKERBSA-N 1 0 207.277 1.932 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2ncc[nH]2)C1 ZINC000228298717 387088897 /nfs/dbraw/zinc/08/88/97/387088897.db2.gz SVQIYOXFMGFNIH-GHMZBOCLSA-N 1 0 222.336 1.228 10 0 BDAERO OCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000228489010 387089362 /nfs/dbraw/zinc/08/93/62/387089362.db2.gz OXAAUALGRKMUII-XQQFMLRXSA-N 1 0 227.348 1.384 10 0 BDAERO [NH3+]CCC[C@H]([NH3+])c1cc(F)c(F)cc1F ZINC000575438508 387131200 /nfs/dbraw/zinc/13/12/00/387131200.db2.gz JYKGBMVZKYKXKG-JTQLQIEISA-N 1 0 218.222 1.843 10 0 BDAERO CCCC[N@H+](CCO)C[C@@H](O)COC(C)(C)C ZINC000068045812 387100365 /nfs/dbraw/zinc/10/03/65/387100365.db2.gz HMQWJNRLFBKAKY-GFCCVEGCSA-N 1 0 247.379 1.257 10 0 BDAERO [NH3+][C@@H]1COC[C@@H]1c1cscc1Br ZINC000575472503 387106024 /nfs/dbraw/zinc/10/60/24/387106024.db2.gz MGIIUNFNLSVYFV-SVGQVSJJSA-N 1 0 248.145 1.952 10 0 BDAERO Cc1cnccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000228690161 387107382 /nfs/dbraw/zinc/10/73/82/387107382.db2.gz SWHNZYOTUNBOAV-PWSUYJOCSA-N 1 0 233.315 1.134 10 0 BDAERO O=C(C1CCCC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186528158 387108328 /nfs/dbraw/zinc/10/83/28/387108328.db2.gz CQRCOIHDQYPPSX-LBPRGKRZSA-N 1 0 236.359 1.920 10 0 BDAERO [NH3+][C@@H](CC(F)F)c1cc(O)cc(O)c1 ZINC000575439223 387121908 /nfs/dbraw/zinc/12/19/08/387121908.db2.gz QCNGSPASKBETAB-QMMMGPOBSA-N 1 0 203.188 1.753 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H]1COc2ccccc21 ZINC000070530631 387068030 /nfs/dbraw/zinc/06/80/30/387068030.db2.gz SYKNHTTZIVRKBG-QWRGUYRKSA-N 1 0 234.299 1.364 10 0 BDAERO CCCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057791032 387146741 /nfs/dbraw/zinc/14/67/41/387146741.db2.gz HCDUEOOTHJJHFM-JTQLQIEISA-N 1 0 213.325 1.180 10 0 BDAERO O=C1Nc2ccc(F)cc2[C@@]12CC[NH2+]C2 ZINC000107147275 387154304 /nfs/dbraw/zinc/15/43/04/387154304.db2.gz REOJXDBSACKTOM-NSHDSACASA-N 1 0 206.220 1.009 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1cnn(C)c1Br ZINC000575478332 387160314 /nfs/dbraw/zinc/16/03/14/387160314.db2.gz BKLRIZBWPVQSKZ-PHDIDXHHSA-N 1 0 247.140 1.330 10 0 BDAERO [NH3+]C[C@H]1c2ccccc2C(=O)N1CC(F)F ZINC000536950875 387161683 /nfs/dbraw/zinc/16/16/83/387161683.db2.gz LHDYIJLJWYRAAV-VIFPVBQESA-N 1 0 226.226 1.407 10 0 BDAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1cc(C)nn1C ZINC000536950910 387162087 /nfs/dbraw/zinc/16/20/87/387162087.db2.gz LZAIXAAWRHYXSC-MNOVXSKESA-N 1 0 207.321 1.832 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CC[NH2+][C@@H]12 ZINC000536952877 387164813 /nfs/dbraw/zinc/16/48/13/387164813.db2.gz GEDZHUPGNTZCPE-IVZWLZJFSA-N 1 0 226.320 1.652 10 0 BDAERO CCC1(CC)C[NH2+][C@H]1c1nccn1CCOC ZINC000536952822 387165879 /nfs/dbraw/zinc/16/58/79/387165879.db2.gz FIGDWZUQQNXJRA-NSHDSACASA-N 1 0 237.347 1.980 10 0 BDAERO CC[C@@]1(C[NH3+])COc2cc(F)c(F)cc2O1 ZINC000536953040 387166145 /nfs/dbraw/zinc/16/61/45/387166145.db2.gz FEBYKQKSZFOFGL-LLVKDONJSA-N 1 0 229.226 1.844 10 0 BDAERO C[C@@H]1COC[C@H]1NC1=[NH+]CCCS1 ZINC000575481884 387178606 /nfs/dbraw/zinc/17/86/06/387178606.db2.gz AVMHNXCLMSNICX-HTQZYQBOSA-N 1 0 200.307 1.104 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(N)c2)C1 ZINC000062964250 387187932 /nfs/dbraw/zinc/18/79/32/387187932.db2.gz MNMLBIRHRZMDRN-LBPRGKRZSA-N 1 0 233.315 1.045 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@H]2COC[C@H]2C)S1 ZINC000575481734 387191188 /nfs/dbraw/zinc/19/11/88/387191188.db2.gz AIORACKOKQQQPZ-PRJMDXOYSA-N 1 0 200.307 1.102 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccsc2)C1 ZINC000284615497 387210675 /nfs/dbraw/zinc/21/06/75/387210675.db2.gz REZRZITUOIXHEF-WDEREUQCSA-N 1 0 227.329 1.330 10 0 BDAERO CCC(O)(CC)C[N@H+](C)CC1(O)CCC1 ZINC000353493235 387214673 /nfs/dbraw/zinc/21/46/73/387214673.db2.gz WMKRUIFQMNDWHS-UHFFFAOYSA-N 1 0 215.337 1.384 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000286096632 387313709 /nfs/dbraw/zinc/31/37/09/387313709.db2.gz MISLTMSTZDJORD-NGZCFLSTSA-N 1 0 221.304 1.609 10 0 BDAERO CCCCC[C@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188197100 387255750 /nfs/dbraw/zinc/25/57/50/387255750.db2.gz PKWLUKDXXSTUQY-GARJFASQSA-N 1 0 230.327 1.771 10 0 BDAERO Cc1cnn(CC[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000301314103 387258150 /nfs/dbraw/zinc/25/81/50/387258150.db2.gz OIRKOHPHYUJRJE-CYBMUJFWSA-N 1 0 237.347 1.428 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccsc1Cl ZINC000306215809 387265979 /nfs/dbraw/zinc/26/59/79/387265979.db2.gz BIPABKSHHHTLGI-QMMMGPOBSA-N 1 0 205.710 1.828 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CCC[C@@H](O)C1 ZINC000575494468 387278600 /nfs/dbraw/zinc/27/86/00/387278600.db2.gz SSMBKIKSEGWDOG-QWHCGFSZSA-N 1 0 247.342 1.604 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000287057986 387357089 /nfs/dbraw/zinc/35/70/89/387357089.db2.gz UHMIZPAKTBUEEH-MELADBBJSA-N 1 0 247.338 1.408 10 0 BDAERO COC[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000020042027 387357234 /nfs/dbraw/zinc/35/72/34/387357234.db2.gz ZZYMHFOVTNBRNT-LLVKDONJSA-N 1 0 236.315 1.558 10 0 BDAERO C[C@H]1C[C@@](O)(C(F)(F)Br)CC[NH2+]1 ZINC000575512327 387384066 /nfs/dbraw/zinc/38/40/66/387384066.db2.gz NGHBWHGZMCPQAS-NTSWFWBYSA-N 1 0 244.079 1.477 10 0 BDAERO O[C@H](C1CCCC1)[C@H]1C[NH2+]CCS1 ZINC000575499853 387344694 /nfs/dbraw/zinc/34/46/94/387344694.db2.gz FYMNJBFXADXPTA-NXEZZACHSA-N 1 0 201.335 1.243 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000393144089 387346202 /nfs/dbraw/zinc/34/62/02/387346202.db2.gz GEOBEAKCCJHPKI-IRCOFANPSA-N 1 0 213.321 1.569 10 0 BDAERO CCOc1nccnc1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000515224852 387347625 /nfs/dbraw/zinc/34/76/25/387347625.db2.gz KVCAJIAFOQMSLF-AXFHLTTASA-N 1 0 248.330 1.049 10 0 BDAERO Cc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)nn1 ZINC000396611226 387347847 /nfs/dbraw/zinc/34/78/47/387347847.db2.gz FTLBKFCLSURNQV-CQSZACIVSA-N 1 0 246.358 1.455 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)C(F)(F)F)[C@@H]1C ZINC000575519437 387432109 /nfs/dbraw/zinc/43/21/09/387432109.db2.gz VQHQKTYUNGTZIA-BWZBUEFSSA-N 1 0 238.253 1.523 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC1(C)CC1 ZINC000423925883 387450642 /nfs/dbraw/zinc/45/06/42/387450642.db2.gz GFJQMMJKNGHYQT-NXEZZACHSA-N 1 0 210.321 1.148 10 0 BDAERO O[C@]1(Cc2ccsc2Cl)CC[NH2+]C1 ZINC000575523395 387455633 /nfs/dbraw/zinc/45/56/33/387455633.db2.gz KJKUOQMJJLKDIW-VIFPVBQESA-N 1 0 217.721 1.668 10 0 BDAERO CN(C1C[NH2+]C1)[C@@H]1CCCSCC1 ZINC000575513225 387385453 /nfs/dbraw/zinc/38/54/53/387385453.db2.gz DMBNYGUYCGOHTM-SECBINFHSA-N 1 0 200.351 1.176 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@](=O)C[C@H](C)C[NH2+]1 ZINC000306569286 387399044 /nfs/dbraw/zinc/39/90/44/387399044.db2.gz WGOIKMCCJRZVSB-ISTVAULSSA-N 1 0 217.378 1.779 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(CC2CC2)C(C)C)C1 ZINC000042591653 387508456 /nfs/dbraw/zinc/50/84/56/387508456.db2.gz ADBJUIUSTJWWNE-VXGBXAGGSA-N 1 0 240.347 1.010 10 0 BDAERO CC[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863422 387523506 /nfs/dbraw/zinc/52/35/06/387523506.db2.gz WGSCPEQVUFKSFG-UHFFFAOYSA-N 1 0 236.363 1.299 10 0 BDAERO Brc1cnnn1[C@H]1CCC[NH2+]CC1 ZINC000575525268 387527564 /nfs/dbraw/zinc/52/75/64/387527564.db2.gz YWUPXGXVKYTODK-ZETCQYMHSA-N 1 0 245.124 1.355 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CC)C1 ZINC000396058180 387529765 /nfs/dbraw/zinc/52/97/65/387529765.db2.gz GFUHYTGRHGFZBG-SNVBAGLBSA-N 1 0 227.352 1.568 10 0 BDAERO CC[C@@H](C[N@@H+]1CCCC[C@H]1C(=O)OC)OC ZINC000397001108 387532026 /nfs/dbraw/zinc/53/20/26/387532026.db2.gz IFCITFVHCKPGIN-QWRGUYRKSA-N 1 0 229.320 1.439 10 0 BDAERO C[C@H](O)CC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000309072081 387532470 /nfs/dbraw/zinc/53/24/70/387532470.db2.gz OBQSPEPEFJBKCH-JQWIXIFHSA-N 1 0 223.320 1.328 10 0 BDAERO C[C@@H]1CS[C@@](C)(C[C@H]2CCOC2)[NH2+]1 ZINC000575534506 387555646 /nfs/dbraw/zinc/55/56/46/387555646.db2.gz XBYRRKVNSZCHDC-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO COCC(C)(C)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000426414085 387567138 /nfs/dbraw/zinc/56/71/38/387567138.db2.gz APFJJAVMPGDBAZ-NSHDSACASA-N 1 0 215.337 1.363 10 0 BDAERO CC[C@H]1C[NH2+][C@H](C)CN1C1CSC1 ZINC000575550195 387644033 /nfs/dbraw/zinc/64/40/33/387644033.db2.gz QFQSXXKWYAMUGE-BDAKNGLRSA-N 1 0 200.351 1.174 10 0 BDAERO CC[C@@]1(C)CN(C2CSC2)CC[NH2+]1 ZINC000575548375 387646250 /nfs/dbraw/zinc/64/62/50/387646250.db2.gz DKTCOTYNXVQCSS-JTQLQIEISA-N 1 0 200.351 1.176 10 0 BDAERO CO[C@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000422742044 387649025 /nfs/dbraw/zinc/64/90/25/387649025.db2.gz QYUKBKLFXLNFMH-CHWSQXEVSA-N 1 0 220.316 1.326 10 0 BDAERO [NH3+]C1(c2cccc(F)c2F)CSC1 ZINC000575549949 387650270 /nfs/dbraw/zinc/65/02/70/387650270.db2.gz OCQHGNRRCXNELQ-UHFFFAOYSA-N 1 0 201.241 1.866 10 0 BDAERO Cc1cc([C@]2([NH3+])CCSC2)sn1 ZINC000575573066 387754318 /nfs/dbraw/zinc/75/43/18/387754318.db2.gz SGXYLXPCVGDXJY-QMMMGPOBSA-N 1 0 200.332 1.742 10 0 BDAERO C[C@@H]1SCC[C@@]1([NH3+])Cc1nccs1 ZINC000575558928 387698880 /nfs/dbraw/zinc/69/88/80/387698880.db2.gz DRYNLAUQSOLQRI-IONNQARKSA-N 1 0 214.359 1.909 10 0 BDAERO C[C@@H]1SCC[C@]1([NH3+])Cc1cncs1 ZINC000575561186 387701002 /nfs/dbraw/zinc/70/10/02/387701002.db2.gz OZPNGVDUIZDLCK-CBAPKCEASA-N 1 0 214.359 1.909 10 0 BDAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127120333 387705852 /nfs/dbraw/zinc/70/58/52/387705852.db2.gz AWJLZRQYZUNZLW-GIPNMCIBSA-N 1 0 246.310 1.029 10 0 BDAERO C[C@@H]1SCC[C@@]1([NH3+])Cc1cnsn1 ZINC000575567442 387735540 /nfs/dbraw/zinc/73/55/40/387735540.db2.gz JPZPCHJMFAAKSS-POYBYMJQSA-N 1 0 215.347 1.304 10 0 BDAERO c1cc(C2CC[NH+](Cc3cncnc3)CC2)n[nH]1 ZINC000128179991 387739467 /nfs/dbraw/zinc/73/94/67/387739467.db2.gz HNAVKIJZOCONFI-UHFFFAOYSA-N 1 0 243.314 1.579 10 0 BDAERO CC(C)c1cc(NC(=O)[C@H]2CC[NH2+]C2)n[nH]1 ZINC000129149441 387762860 /nfs/dbraw/zinc/76/28/60/387762860.db2.gz YMSJTFOWWYZDBV-QMMMGPOBSA-N 1 0 222.292 1.081 10 0 BDAERO c1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000041043410 387796153 /nfs/dbraw/zinc/79/61/53/387796153.db2.gz HSPLQLPMAIRAKY-ZACCUICWSA-N 1 0 203.289 1.777 10 0 BDAERO CCOC1CCC([NH2+]CC2CC(O)C2)CC1 ZINC000528018953 387824621 /nfs/dbraw/zinc/82/46/21/387824621.db2.gz OMWHXWDMZWQWQW-UHFFFAOYSA-N 1 0 227.348 1.695 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccccc1O ZINC000061882940 387847435 /nfs/dbraw/zinc/84/74/35/387847435.db2.gz KNMRUANSCYYYPF-MWLCHTKSSA-N 1 0 234.299 1.249 10 0 BDAERO C1CCC([N@@H+]2CCOC[C@]23CCOC3)C1 ZINC000193726677 387862454 /nfs/dbraw/zinc/86/24/54/387862454.db2.gz XSKFMVVYAFUETJ-GFCCVEGCSA-N 1 0 211.305 1.420 10 0 BDAERO CSCCN1CCC([NH+]2CCCC2)CC1 ZINC000193867115 387867254 /nfs/dbraw/zinc/86/72/54/387867254.db2.gz ZPDMBHNMSKRJKI-UHFFFAOYSA-N 1 0 228.405 1.910 10 0 BDAERO C=Cn1cc(CN2CCC[N@@H+](C3CC3)CC2)cn1 ZINC000193822222 387867271 /nfs/dbraw/zinc/86/72/71/387867271.db2.gz CHRSQILWQNZQLU-UHFFFAOYSA-N 1 0 246.358 1.654 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)n1 ZINC000236032826 387870301 /nfs/dbraw/zinc/87/03/01/387870301.db2.gz FAIJJLUUXBZQMN-STQMWFEESA-N 1 0 233.315 1.442 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)n1 ZINC000236032818 387871537 /nfs/dbraw/zinc/87/15/37/387871537.db2.gz FAIJJLUUXBZQMN-QWHCGFSZSA-N 1 0 233.315 1.442 10 0 BDAERO CC[C@@H](C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000151310396 387815222 /nfs/dbraw/zinc/81/52/22/387815222.db2.gz FJTSZYNZXUKCES-NEPJUHHUSA-N 1 0 214.353 1.221 10 0 BDAERO Cc1sccc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000293148157 387891003 /nfs/dbraw/zinc/89/10/03/387891003.db2.gz DKZLFTRJDCUFER-KCJUWKMLSA-N 1 0 238.356 1.813 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000444615576 387894125 /nfs/dbraw/zinc/89/41/25/387894125.db2.gz GXCGMXUJPNUOTP-NEPJUHHUSA-N 1 0 215.337 1.504 10 0 BDAERO CC(C)([NH3+])C(=O)Nc1ccc(Cl)cn1 ZINC000040920427 387896193 /nfs/dbraw/zinc/89/61/93/387896193.db2.gz ABAVOTYBUSJWPU-UHFFFAOYSA-N 1 0 213.668 1.411 10 0 BDAERO Cc1cc(C)c(OC[C@@H](O)C[NH3+])c(C)c1 ZINC000002454852 177869123 /nfs/dbraw/zinc/86/91/23/177869123.db2.gz ODZWFVSYKYSNKO-NSHDSACASA-N 1 0 209.289 1.310 10 0 BDAERO Cc1n[nH]cc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000195411745 387913377 /nfs/dbraw/zinc/91/33/77/387913377.db2.gz FNAYWHIJIBHTQP-UHFFFAOYSA-N 1 0 248.330 1.028 10 0 BDAERO CC[C@H](C(=O)OC)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245475519 387949085 /nfs/dbraw/zinc/94/90/85/387949085.db2.gz RZTDALLJZSDIER-VXGBXAGGSA-N 1 0 242.363 1.354 10 0 BDAERO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)COC ZINC000245841504 387986669 /nfs/dbraw/zinc/98/66/69/387986669.db2.gz ZFGVFBRWBYBOBZ-GHMZBOCLSA-N 1 0 230.352 1.115 10 0 BDAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H](C)O2)C1 ZINC000245953767 387997740 /nfs/dbraw/zinc/99/77/40/387997740.db2.gz BPRDLICOHFZPBB-UTUOFQBUSA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)[C@@H]([NH3+])CNc1nccc(C(F)(F)F)n1 ZINC000081587183 388009736 /nfs/dbraw/zinc/00/97/36/388009736.db2.gz YUUJEJGNCWMJLF-ZETCQYMHSA-N 1 0 248.252 1.891 10 0 BDAERO C[NH2+][C@@]1(c2nccs2)CCSC1 ZINC000041060308 388018732 /nfs/dbraw/zinc/01/87/32/388018732.db2.gz VTPXOORNLZCPJM-QMMMGPOBSA-N 1 0 200.332 1.695 10 0 BDAERO Cc1nc(S[C@@H]2CCC[C@H]2C[NH3+])n[nH]1 ZINC000041062604 388019841 /nfs/dbraw/zinc/01/98/41/388019841.db2.gz WQTIQRBWGXYMCH-JGVFFNPUSA-N 1 0 212.322 1.333 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCCCO1 ZINC000083550943 388055223 /nfs/dbraw/zinc/05/52/23/388055223.db2.gz DYEBJABOBJAGFA-MCIONIFRSA-N 1 0 238.375 1.724 10 0 BDAERO CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000083866115 388064084 /nfs/dbraw/zinc/06/40/84/388064084.db2.gz JJWKBVLDHZEZMF-FIQHERPVSA-N 1 0 226.364 1.783 10 0 BDAERO CC(C)[N@H+](C)C1(CN)CCSCC1 ZINC000042334922 388086902 /nfs/dbraw/zinc/08/69/02/388086902.db2.gz FGGIESIGKNYNRS-UHFFFAOYSA-N 1 0 202.367 1.551 10 0 BDAERO COC[C@H](C)[N@H+](C)Cc1c(C)nn(C)c1C ZINC000195086167 388096329 /nfs/dbraw/zinc/09/63/29/388096329.db2.gz UFLPYGJQYZWJDT-VIFPVBQESA-N 1 0 225.336 1.504 10 0 BDAERO CN1CCC[C@H]1C[N@H+](C)C[C@H](O)C(C)(C)C ZINC000086189875 388100738 /nfs/dbraw/zinc/10/07/38/388100738.db2.gz QHGZKZGZCUFJBG-RYUDHWBXSA-N 1 0 228.380 1.419 10 0 BDAERO C[C@H](Cc1cccc(Cl)c1)[NH2+]CCN ZINC000261528455 135153556 /nfs/dbraw/zinc/15/35/56/135153556.db2.gz LVCYRABJXINZRV-SECBINFHSA-N 1 0 212.724 1.819 10 0 BDAERO CN1CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324628839 388122374 /nfs/dbraw/zinc/12/23/74/388122374.db2.gz SFCWPFONDBHEBA-GHMZBOCLSA-N 1 0 214.353 1.077 10 0 BDAERO CC[C@](C)(C[N@@H+]1CCN2CCC[C@H]2C1)OC ZINC000323062020 388147291 /nfs/dbraw/zinc/14/72/91/388147291.db2.gz KSQGKIPAQBXKDV-QWHCGFSZSA-N 1 0 226.364 1.582 10 0 BDAERO CC(C)CCCn1cc(C(C)(C)[NH3+])nn1 ZINC000166046349 388254195 /nfs/dbraw/zinc/25/41/95/388254195.db2.gz PZPDOGJJDUFHJM-UHFFFAOYSA-N 1 0 210.325 1.908 10 0 BDAERO C[C@@H]1CN(c2ncc(Cl)cn2)C[C@@]1(C)C[NH3+] ZINC000309434563 256525309 /nfs/dbraw/zinc/52/53/09/256525309.db2.gz MMLCLPJNEKRWKV-LDYMZIIASA-N 1 0 240.738 1.551 10 0 BDAERO [NH3+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000008028923 388347395 /nfs/dbraw/zinc/34/73/95/388347395.db2.gz GZFSQWVTRGNOJS-SSDOTTSWSA-N 1 0 236.098 1.692 10 0 BDAERO CN(C(=[NH2+])NO)[C@@H]1CCCSCC1 ZINC000575517779 388355327 /nfs/dbraw/zinc/35/53/27/388355327.db2.gz IYCHKOVCZBLOLJ-SSDOTTSWSA-N 1 0 203.311 1.117 10 0 BDAERO CC[C@H](C(=O)N1CCS[C@@H](C)C1)[NH+](C)C ZINC000163306835 388359691 /nfs/dbraw/zinc/35/96/91/388359691.db2.gz QAWRACDIXATMBK-VHSXEESVSA-N 1 0 230.377 1.291 10 0 BDAERO CC[C@@H](C)C[N@@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000376911686 388405059 /nfs/dbraw/zinc/40/50/59/388405059.db2.gz OVFYVIHGGCEKHT-FBIMIBRVSA-N 1 0 239.319 1.532 10 0 BDAERO C[C@H]1CCC[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000230173935 388362437 /nfs/dbraw/zinc/36/24/37/388362437.db2.gz OMFQSGFAIYJJRG-QWRGUYRKSA-N 1 0 224.348 1.633 10 0 BDAERO CC[C@H]([NH3+])C(=O)c1cccc2c1OCC2 ZINC000132689551 388366930 /nfs/dbraw/zinc/36/69/30/388366930.db2.gz OWBRWNMIQHLCHM-JTQLQIEISA-N 1 0 205.257 1.542 10 0 BDAERO O=C(Nc1cc(Cl)ccn1)[C@H]1CC[NH2+]C1 ZINC000236047605 388376878 /nfs/dbraw/zinc/37/68/78/388376878.db2.gz VWOZXNPFAJYMBT-ZETCQYMHSA-N 1 0 225.679 1.283 10 0 BDAERO Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)o1 ZINC000294716742 388403085 /nfs/dbraw/zinc/40/30/85/388403085.db2.gz CHFWTFMVNPDKLK-CMPLNLGQSA-N 1 0 209.289 1.933 10 0 BDAERO Cc1ccc(C[N@H+]2CCC[C@H](O)[C@H]2C)o1 ZINC000294716746 388403449 /nfs/dbraw/zinc/40/34/49/388403449.db2.gz CHFWTFMVNPDKLK-PWSUYJOCSA-N 1 0 209.289 1.933 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000393744277 388439776 /nfs/dbraw/zinc/43/97/76/388439776.db2.gz IDHGJALLAOKUTD-NXEZZACHSA-N 1 0 223.324 1.532 10 0 BDAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000393835777 388444023 /nfs/dbraw/zinc/44/40/23/388444023.db2.gz ODTQRYQRTOAUTJ-MXWKQRLJSA-N 1 0 228.405 1.988 10 0 BDAERO CCC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCC1 ZINC000322867085 388449465 /nfs/dbraw/zinc/44/94/65/388449465.db2.gz VHEXXMWCUHHGIM-UONOGXRCSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1cn2c(/C=C/C[NH3+])c(C)nc2s1 ZINC000069050096 388412614 /nfs/dbraw/zinc/41/26/14/388412614.db2.gz HMLMILSJXZJSRF-ONEGZZNKSA-N 1 0 207.302 1.985 10 0 BDAERO CCC1([NH2+]Cc2cnn(C)c2C)CCOCC1 ZINC000341716825 388496610 /nfs/dbraw/zinc/49/66/10/388496610.db2.gz XWCPXJYMUHUSEW-UHFFFAOYSA-N 1 0 237.347 1.777 10 0 BDAERO COCCC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000528585224 388549286 /nfs/dbraw/zinc/54/92/86/388549286.db2.gz ZKJVDQWXAWOEEJ-CHWSQXEVSA-N 1 0 227.348 1.648 10 0 BDAERO Cc1csc(Cc2ncc(C[NH3+])s2)n1 ZINC000055269612 388598149 /nfs/dbraw/zinc/59/81/49/388598149.db2.gz XQCQERHPPVJSNC-UHFFFAOYSA-N 1 0 225.342 1.958 10 0 BDAERO Cc1nc2ccccc2nc1N[C@H](C)C[NH3+] ZINC000082576022 388618128 /nfs/dbraw/zinc/61/81/28/388618128.db2.gz PPBSCIJUFUHZOW-MRVPVSSYSA-N 1 0 216.288 1.697 10 0 BDAERO CCOC(=O)c1ccc(N[C@H](C)C[NH3+])nc1 ZINC000082576047 388618323 /nfs/dbraw/zinc/61/83/23/388618323.db2.gz SWLICBZWEYVKEN-MRVPVSSYSA-N 1 0 223.276 1.017 10 0 BDAERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(C)(C)O ZINC000528755570 388567161 /nfs/dbraw/zinc/56/71/61/388567161.db2.gz KJEAAINNDAZPPM-QEYWKRMJSA-N 1 0 201.310 1.159 10 0 BDAERO C[C@@]([NH3+])(CO)c1cc(Br)ccc1F ZINC000077419418 388581961 /nfs/dbraw/zinc/58/19/61/388581961.db2.gz HGJUZIPMXALMKU-SECBINFHSA-N 1 0 248.095 1.754 10 0 BDAERO CC[C@H](O)CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000564203215 388682591 /nfs/dbraw/zinc/68/25/91/388682591.db2.gz FBQVBGAGUIHQFW-ZDUSSCGKSA-N 1 0 220.316 1.815 10 0 BDAERO CC(C)(C)OC(=O)Nc1ncc(C[NH3+])cn1 ZINC000299889863 388619764 /nfs/dbraw/zinc/61/97/64/388619764.db2.gz PXKRXHPTQYXBDE-UHFFFAOYSA-N 1 0 224.264 1.282 10 0 in-vitro BDAERO CC[C@H](O)C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328654129 388739153 /nfs/dbraw/zinc/73/91/53/388739153.db2.gz XFYROQFEOWUEDF-RYUDHWBXSA-N 1 0 237.347 1.148 10 0 BDAERO COc1cc2cc[nH+]c(NN)c2cc1OC ZINC000096321479 388698158 /nfs/dbraw/zinc/69/81/58/388698158.db2.gz WNYKHAFFVWVQJF-UHFFFAOYSA-N 1 0 219.244 1.538 10 0 BDAERO CC(C)OC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000127116960 388715215 /nfs/dbraw/zinc/71/52/15/388715215.db2.gz VQBGTGLYNPJJGM-WDEREUQCSA-N 1 0 226.320 1.748 10 0 BDAERO CC[C@@H](C)[N@H+](C)CCNC(=O)OC(C)C ZINC000227839575 388759528 /nfs/dbraw/zinc/75/95/28/388759528.db2.gz XASQJJYILIYDIW-SNVBAGLBSA-N 1 0 216.325 1.851 10 0 BDAERO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C)no1 ZINC000284469684 388828001 /nfs/dbraw/zinc/82/80/01/388828001.db2.gz ATCJYQOKACCSJS-QWRGUYRKSA-N 1 0 240.303 1.219 10 0 BDAERO CC[C@@H]1CS[C@@]2(COC[C@H]2CC)[NH2+]1 ZINC000575480347 388862214 /nfs/dbraw/zinc/86/22/14/388862214.db2.gz ITMBSXXGDAXIEF-OPRDCNLKSA-N 1 0 201.335 1.854 10 0 BDAERO Cc1cc(NCCC[NH2+]C(C)C)ncn1 ZINC000565471510 388946857 /nfs/dbraw/zinc/94/68/57/388946857.db2.gz ZHBWDKLOYIZBGH-UHFFFAOYSA-N 1 0 208.309 1.007 10 0 BDAERO Cn1nc(Br)cc1[C@H]1[C@H]([NH3+])C1(C)C ZINC000575501076 388990439 /nfs/dbraw/zinc/99/04/39/388990439.db2.gz XDUNLMPCOPNIHQ-YUMQZZPRSA-N 1 0 244.136 1.633 10 0 BDAERO C[C@H]([NH2+]CCn1cncn1)c1cccc(F)c1 ZINC000263992646 388991329 /nfs/dbraw/zinc/99/13/29/388991329.db2.gz DHPSYDGINBUBQX-JTQLQIEISA-N 1 0 234.278 1.768 10 0 BDAERO C[C@@](O)([C@H]1CCCC[NH2+]1)C1(Cl)CC1 ZINC000575505887 388992064 /nfs/dbraw/zinc/99/20/64/388992064.db2.gz VLRHOIWIGPOUJF-RKDXNWHRSA-N 1 0 203.713 1.651 10 0 BDAERO [NH3+]Cc1ccccc1N1CCCOC1=O ZINC000041054555 132349162 /nfs/dbraw/zinc/34/91/62/132349162.db2.gz OEWGHPRDYPJDNA-UHFFFAOYSA-N 1 0 206.245 1.492 10 0 BDAERO C[C@@H]1CNc2ccccc2N1CC[NH+](C)C ZINC000041233458 132349773 /nfs/dbraw/zinc/34/97/73/132349773.db2.gz WUILEJOFHFVSSJ-LLVKDONJSA-N 1 0 219.332 1.869 10 0 BDAERO C[C@@H]1CN(c2cc(N)cc[nH+]2)C[C@@H](C)O1 ZINC000043567829 132353466 /nfs/dbraw/zinc/35/34/66/132353466.db2.gz XQFKVQKCSUTZJV-RKDXNWHRSA-N 1 0 207.277 1.277 10 0 BDAERO C([C@H]1CCSC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226402667 533378127 /nfs/dbraw/zinc/37/81/27/533378127.db2.gz FYVMSBOAAUOJER-VXGBXAGGSA-N 1 0 226.389 1.520 10 0 BDAERO CSCCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401964706 533566115 /nfs/dbraw/zinc/56/61/15/533566115.db2.gz SBXMSHFZCXETFQ-UWVGGRQHSA-N 1 0 203.351 1.442 10 0 BDAERO OC1(C[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000336338829 132247084 /nfs/dbraw/zinc/24/70/84/132247084.db2.gz HILWUCVGZJEQKE-UHFFFAOYSA-N 1 0 246.354 1.724 10 0 BDAERO Clc1ccc2ncnc(N3CC[NH2+]CC3)c2c1 ZINC000040351390 132296133 /nfs/dbraw/zinc/29/61/33/132296133.db2.gz DEUYSZYFLRGJQL-UHFFFAOYSA-N 1 0 248.717 1.693 10 0 BDAERO CCc1nc(C)nc(N2CCC([NH3+])CC2)c1C ZINC000045951004 132299327 /nfs/dbraw/zinc/29/93/27/132299327.db2.gz RVPOADYPYPJQIB-UHFFFAOYSA-N 1 0 234.347 1.583 10 0 BDAERO Cc1cc(N2CCC(C[NH3+])CC2)nc(Cl)n1 ZINC000073734839 132303239 /nfs/dbraw/zinc/30/32/39/132303239.db2.gz QOVUGAAILUZALN-UHFFFAOYSA-N 1 0 240.738 1.614 10 0 BDAERO CCOc1ccccc1N1CCN(C(N)=[NH2+])CC1 ZINC000073640614 132303317 /nfs/dbraw/zinc/30/33/17/132303317.db2.gz AIQGZRFWTPRTQN-UHFFFAOYSA-N 1 0 248.330 1.101 10 0 BDAERO CC(C)[C@@H](C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000019397456 132324539 /nfs/dbraw/zinc/32/45/39/132324539.db2.gz UMQRJOWTJHIZAU-CYBMUJFWSA-N 1 0 248.374 1.187 10 0 BDAERO Cc1cccc(N2CCN([C@H](C)C[NH3+])CC2)c1 ZINC000019398359 132324699 /nfs/dbraw/zinc/32/46/99/132324699.db2.gz PIUHVUQLZRGYQN-CYBMUJFWSA-N 1 0 233.359 1.464 10 0 BDAERO C[C@H]1CCCN(c2ncccc2C(N)=[NH2+])C1 ZINC000019425852 132324951 /nfs/dbraw/zinc/32/49/51/132324951.db2.gz GYFAIOUKIYJXJQ-VIFPVBQESA-N 1 0 218.304 1.602 10 0 BDAERO Cc1cccc(N2CCN(C(C)(C)C[NH3+])CC2)c1 ZINC000019439624 132325125 /nfs/dbraw/zinc/32/51/25/132325125.db2.gz NFKHRYDWTUNJJP-UHFFFAOYSA-N 1 0 247.386 1.854 10 0 BDAERO C[C@@H]1CN(c2cc[nH+]cc2N)C[C@H](C)O1 ZINC000019763655 132326963 /nfs/dbraw/zinc/32/69/63/132326963.db2.gz KCQKKCABCVOWDM-DTORHVGOSA-N 1 0 207.277 1.277 10 0 BDAERO C[NH2+]C[C@H](O)CN1CCCc2cc(C)ccc21 ZINC000019864118 132327950 /nfs/dbraw/zinc/32/79/50/132327950.db2.gz QKJPLVGPKRRJOC-ZDUSSCGKSA-N 1 0 234.343 1.328 10 0 BDAERO C[C@@H]1CN(c2ccccc2C(N)=[NH2+])C[C@H](C)O1 ZINC000020075812 132329648 /nfs/dbraw/zinc/32/96/48/132329648.db2.gz SSPZEPIHFIUFBS-AOOOYVTPSA-N 1 0 233.315 1.584 10 0 BDAERO [NH3+][C@@H]1CCc2nc(N3CCCCC3)ncc2C1 ZINC000020286113 132331104 /nfs/dbraw/zinc/33/11/04/132331104.db2.gz CPNBLHGIKGALHP-LLVKDONJSA-N 1 0 232.331 1.283 10 0 BDAERO [NH3+]Cc1ccnc(N2CCCC[C@@H]2CCO)c1 ZINC000022162435 132332380 /nfs/dbraw/zinc/33/23/80/132332380.db2.gz XJZLLSOYCPMDDS-GFCCVEGCSA-N 1 0 235.331 1.282 10 0 BDAERO O=C1Nc2cc(Cl)ccc2N2CC[NH2+]C[C@H]12 ZINC000026150750 132333643 /nfs/dbraw/zinc/33/36/43/132333643.db2.gz KTWFXGPDYZYENI-SNVBAGLBSA-N 1 0 237.690 1.070 10 0 BDAERO Nc1nc2cccc(N3CCCCC3)c2c(N)[nH+]1 ZINC000027518419 132333958 /nfs/dbraw/zinc/33/39/58/132333958.db2.gz SCBKYOVGEQMAGJ-UHFFFAOYSA-N 1 0 243.314 1.785 10 0 BDAERO CC1CCN(c2ccc(C[NH3+])nn2)CC1 ZINC000031977336 132334891 /nfs/dbraw/zinc/33/48/91/132334891.db2.gz YAVBMCDZUYFINJ-UHFFFAOYSA-N 1 0 206.293 1.172 10 0 BDAERO C[NH2+]C[C@@H](O)CN1c2ccccc2CC[C@H]1C ZINC000035240310 132337797 /nfs/dbraw/zinc/33/77/97/132337797.db2.gz QDNIOYXLNOIPKP-DGCLKSJQSA-N 1 0 234.343 1.408 10 0 BDAERO CC1(C)CN(c2ccc(C[NH3+])cn2)CCO1 ZINC000036231770 132340905 /nfs/dbraw/zinc/34/09/05/132340905.db2.gz FQXODBSRGYQZJG-UHFFFAOYSA-N 1 0 221.304 1.156 10 0 BDAERO C[C@H](O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000039321435 132346600 /nfs/dbraw/zinc/34/66/00/132346600.db2.gz GOBJRBJMDFZYKN-JTQLQIEISA-N 1 0 206.289 1.150 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1N1CCN(c2ccccn2)CC1 ZINC000040431842 132347571 /nfs/dbraw/zinc/34/75/71/132347571.db2.gz QPLHVYIDZFETHZ-QWHCGFSZSA-N 1 0 246.358 1.083 10 0 BDAERO COc1ccc(C)cc1N1CC[NH2+]C[C@H]1C ZINC000041234323 132349765 /nfs/dbraw/zinc/34/97/65/132349765.db2.gz GUJDOSWZCDVHMQ-LLVKDONJSA-N 1 0 220.316 1.802 10 0 BDAERO OCc1ccc(N2CC[NH+](C3CC3)CC2)cc1 ZINC000042490695 132352565 /nfs/dbraw/zinc/35/25/65/132352565.db2.gz VTVKFBKHUWPXKB-UHFFFAOYSA-N 1 0 232.327 1.463 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1nncc2ccccc21 ZINC000044559671 132354410 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1.349 10 0 BDAERO CC(C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000128860948 410084119 /nfs/dbraw/zinc/08/41/19/410084119.db2.gz LVLXHUPUKDVRKD-JTQLQIEISA-N 1 0 200.326 1.522 10 0 BDAERO CCC1(O)CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000653174573 410150244 /nfs/dbraw/zinc/15/02/44/410150244.db2.gz YIHXIGNAHSYUPP-LLVKDONJSA-N 1 0 242.363 1.123 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nnc(C(F)(F)F)s1 ZINC000663279083 410094895 /nfs/dbraw/zinc/09/48/95/410094895.db2.gz OPNNJGATOPALJV-BYPYZUCNSA-N 1 0 240.254 1.577 10 0 BDAERO Brc1cncc(NC2C[NH2+]C2)c1 ZINC000300754356 166104783 /nfs/dbraw/zinc/10/47/83/166104783.db2.gz JAERBNJQDVEFRG-UHFFFAOYSA-N 1 0 228.093 1.228 10 0 BDAERO Brc1ccccc1C1=[NH+]CCN1 ZINC000071532016 166102788 /nfs/dbraw/zinc/10/27/88/166102788.db2.gz HZIQEYVOYRFRFV-UHFFFAOYSA-N 1 0 225.089 1.799 10 0 BDAERO Brc1cccnc1C1C[NH2+]C1 ZINC000095831282 166103373 /nfs/dbraw/zinc/10/33/73/166103373.db2.gz HDVJMSBUQUGCNL-UHFFFAOYSA-N 1 0 213.078 1.531 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CC=CCC1 ZINC000309045928 410207904 /nfs/dbraw/zinc/20/79/04/410207904.db2.gz NBDADSHVSQNTFQ-VWYCJHECSA-N 1 0 208.305 1.291 10 0 BDAERO Brc1cnc([C@H]2CC[NH2+]C2)cn1 ZINC000044122254 166104969 /nfs/dbraw/zinc/10/49/69/166104969.db2.gz BQFXOXMWMUKPCU-LURJTMIESA-N 1 0 228.093 1.316 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661155529 410309072 /nfs/dbraw/zinc/30/90/72/410309072.db2.gz UVSMBYQAIHPLMH-WDEREUQCSA-N 1 0 215.337 1.144 10 0 BDAERO CCN(CC)C(=O)C[NH2+][C@H](CN(C)C)C(C)C ZINC000049205742 169749341 /nfs/dbraw/zinc/74/93/41/169749341.db2.gz FROVUNCPKUHLHR-GFCCVEGCSA-N 1 0 243.395 1.031 10 0 BDAERO CCc1cc(N[C@H]2CC[N@@H+](CC)C2)ncn1 ZINC000389400828 487617555 /nfs/dbraw/zinc/61/75/55/487617555.db2.gz KRNBPHXGKUWKNA-NSHDSACASA-N 1 0 220.320 1.545 10 0 BDAERO CC(=O)c1c(=O)cc(Cl)[nH]c1NCCC[NH3+] ZINC000090609665 166435974 /nfs/dbraw/zinc/43/59/74/166435974.db2.gz ZDQYBEDHVREKCA-UHFFFAOYSA-N 1 0 243.694 1.404 10 0 BDAERO CC(=O)c1cccc(NC(=O)C[C@@H](C)C[NH3+])c1 ZINC000076616092 166474871 /nfs/dbraw/zinc/47/48/71/166474871.db2.gz DZCZIXACBXENNE-SECBINFHSA-N 1 0 234.299 1.813 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCc1ccco1 ZINC000309238973 410538209 /nfs/dbraw/zinc/53/82/09/410538209.db2.gz WBUXZVAYYZFFMK-GXSJLCMTSA-N 1 0 222.288 1.160 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC1(C2CC2)CC1 ZINC000309241545 410634457 /nfs/dbraw/zinc/63/44/57/410634457.db2.gz AUROLICZIJITBR-SNVBAGLBSA-N 1 0 210.321 1.419 10 0 BDAERO CC(C)(C)OC(=O)NC[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000202587790 166663546 /nfs/dbraw/zinc/66/35/46/166663546.db2.gz HQFTTWPKAOKSRO-ZWNOBZJWSA-N 1 0 240.347 1.901 10 0 BDAERO CC(C)(C)OC(=O)[C@H](O)C[C@H]([NH3+])C(C)(C)C ZINC000091368761 166673839 /nfs/dbraw/zinc/67/38/39/166673839.db2.gz WJZFYQJUAVWVPT-BDAKNGLRSA-N 1 0 231.336 1.453 10 0 BDAERO CC[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCO1 ZINC000309318075 410824182 /nfs/dbraw/zinc/82/41/82/410824182.db2.gz ZLOKNTUNIKOZHT-YNEHKIRRSA-N 1 0 227.348 1.648 10 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CC(C)C[NH2+]Cc1cnn(Cc2cnn(C)c2)c1 ZINC000054720342 167010028 /nfs/dbraw/zinc/01/00/28/167010028.db2.gz CUFURGRTOWIXJP-UHFFFAOYSA-N 1 0 247.346 1.411 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC000159090835 167027385 /nfs/dbraw/zinc/02/73/85/167027385.db2.gz IQHPMKZQTNPWCV-PWSUYJOCSA-N 1 0 235.331 1.473 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC000159108583 167027965 /nfs/dbraw/zinc/02/79/65/167027965.db2.gz IUGXLBIGDMXONU-PWSUYJOCSA-N 1 0 235.331 1.473 10 0 BDAERO CC(C)N1CCc2nc([C@@H](C)[NH3+])sc2C1 ZINC000041059196 167028964 /nfs/dbraw/zinc/02/89/64/167028964.db2.gz DUACEZFMXGEBNE-MRVPVSSYSA-N 1 0 225.361 1.929 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccoc2)[C@@H](C)C1 ZINC000155593025 167033076 /nfs/dbraw/zinc/03/30/76/167033076.db2.gz BCOPCRWGJPYBFN-JQWIXIFHSA-N 1 0 236.315 1.738 10 0 BDAERO CC(C)NC(=O)C[N@H+](C)[C@@H](C)c1ccc(N)cc1 ZINC000042601211 167049303 /nfs/dbraw/zinc/04/93/03/167049303.db2.gz UMUIRSQWHGHVPH-NSHDSACASA-N 1 0 249.358 1.786 10 0 BDAERO CC(C)NC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051359135 167069267 /nfs/dbraw/zinc/06/92/67/167069267.db2.gz JFVXMCDKEXGKDZ-MNOVXSKESA-N 1 0 225.336 1.321 10 0 BDAERO CC(C)NC(=O)[C@@H](C)N(C)Cc1ccccc1N ZINC000035064135 167080421 /nfs/dbraw/zinc/08/04/21/167080421.db2.gz TUCKJKLGFMQYLK-LLVKDONJSA-N 1 0 249.358 1.614 10 0 BDAERO CC(C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019437622 167083897 /nfs/dbraw/zinc/08/38/97/167083897.db2.gz FYNPHFKEMREMRU-GARJFASQSA-N 1 0 210.321 1.432 10 0 BDAERO CC(C)NC(=O)c1ccc(OCCC[NH3+])cc1 ZINC000020228816 167088422 /nfs/dbraw/zinc/08/84/22/167088422.db2.gz LZCDGGHEVHMSNH-UHFFFAOYSA-N 1 0 236.315 1.552 10 0 BDAERO CC(C)[NH2+]CC1CCN(c2ccncn2)CC1 ZINC000053664778 167100396 /nfs/dbraw/zinc/10/03/96/167100396.db2.gz HBSYIVMPGGOHKQ-UHFFFAOYSA-N 1 0 234.347 1.691 10 0 BDAERO CC(C)[NH2+]CCn1c2ccccc2oc1=O ZINC000042410053 167108872 /nfs/dbraw/zinc/10/88/72/167108872.db2.gz ZTRMQMARHCHBGZ-UHFFFAOYSA-N 1 0 220.272 1.593 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N1CCO[C@@H](C)C1 ZINC000052382240 167113977 /nfs/dbraw/zinc/11/39/77/167113977.db2.gz PIGDADSZSJECDM-QWRGUYRKSA-N 1 0 200.326 1.094 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)C(=O)[O-])C1 ZINC000063139435 167114489 /nfs/dbraw/zinc/11/44/89/167114489.db2.gz VDPLSKBLDGHJHK-VXGBXAGGSA-N 1 0 242.363 1.417 10 0 BDAERO CC(C)[NH2+]C[C@H](O)COc1cccs1 ZINC000033872977 167114948 /nfs/dbraw/zinc/11/49/48/167114948.db2.gz UWIWUJKCNHBMMC-VIFPVBQESA-N 1 0 215.318 1.486 10 0 BDAERO CC(C)[NH2+]C[C@H](O)COc1cccc2c1CC=C2 ZINC000003627431 167115219 /nfs/dbraw/zinc/11/52/19/167115219.db2.gz SAWHVYHGMYAXLH-ZDUSSCGKSA-N 1 0 247.338 1.994 10 0 BDAERO CC(C)[NH2+]Cc1nc2c(s1)CN(C)CC2 ZINC000053295290 167121813 /nfs/dbraw/zinc/12/18/13/167121813.db2.gz BYIPKAOSFXLEPS-UHFFFAOYSA-N 1 0 225.361 1.629 10 0 BDAERO CC(C)[NH2+][C@@H](CC[N@@H+]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000062441087 167132163 /nfs/dbraw/zinc/13/21/63/167132163.db2.gz DEMYDSPTRYCFOF-NEPJUHHUSA-N 1 0 242.363 1.560 10 0 BDAERO CC(C)N[C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000050270874 167133321 /nfs/dbraw/zinc/13/33/21/167133321.db2.gz FSOZPWYLMGZANX-AWEZNQCLSA-N 1 0 244.342 1.870 10 0 BDAERO CC(C)Nc1nc(NCCO)nc2ccccc21 ZINC000095566364 167150415 /nfs/dbraw/zinc/15/04/15/167150415.db2.gz RDWKAUWVGUQKOM-UHFFFAOYSA-N 1 0 246.314 1.854 10 0 BDAERO CC(C)OC(=O)COc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798252 167158358 /nfs/dbraw/zinc/15/83/58/167158358.db2.gz FWIWCEDLXVPKMK-LBPRGKRZSA-N 1 0 249.310 1.963 10 0 BDAERO CC(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359128 167161992 /nfs/dbraw/zinc/16/19/92/167161992.db2.gz JGXHQCUHSXNFMO-WDEREUQCSA-N 1 0 226.320 1.748 10 0 BDAERO CC(C)OC(=O)N(C)C1CC[NH2+]CC1 ZINC000044240648 167162547 /nfs/dbraw/zinc/16/25/47/167162547.db2.gz PUKNOXIIGINOJH-UHFFFAOYSA-N 1 0 200.282 1.215 10 0 BDAERO CC(C)OCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000122332264 167184356 /nfs/dbraw/zinc/18/43/56/167184356.db2.gz GAMKACLTZDFGQZ-VXGBXAGGSA-N 1 0 240.347 1.107 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336735260 167259748 /nfs/dbraw/zinc/25/97/48/167259748.db2.gz HYHJXULHWMJHIE-MXWKQRLJSA-N 1 0 228.336 1.057 10 0 BDAERO CC(C)Oc1ccc(N2CC[C@H]([NH3+])C2=O)cc1 ZINC000049647979 167295941 /nfs/dbraw/zinc/29/59/41/167295941.db2.gz HBSQOMGUAYTBJZ-LBPRGKRZSA-N 1 0 234.299 1.538 10 0 BDAERO CC(C)[C@@H](C)[N@H+](C)C1(CN)CCOCC1 ZINC000036304982 167366176 /nfs/dbraw/zinc/36/61/76/167366176.db2.gz ZQIMYDHXDGZIKZ-LLVKDONJSA-N 1 0 214.353 1.471 10 0 BDAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](O)c1ccco1 ZINC000103324962 167395577 /nfs/dbraw/zinc/39/55/77/167395577.db2.gz WRBNTLCDUITSMA-NEPJUHHUSA-N 1 0 240.347 1.489 10 0 BDAERO CC(C)[C@@H](C[NH3+])CC(=O)NCc1ccccc1 ZINC000076616618 167396404 /nfs/dbraw/zinc/39/64/04/167396404.db2.gz NMSFHJXMNAYQNS-CYBMUJFWSA-N 1 0 234.343 1.924 10 0 BDAERO COC[C@H](NC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000397465505 410923827 /nfs/dbraw/zinc/92/38/27/410923827.db2.gz SSOVTTDVMZLHAX-MCIGGMRASA-N 1 0 240.347 1.045 10 0 BDAERO C[C@H](CCO)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000397717789 410932433 /nfs/dbraw/zinc/93/24/33/410932433.db2.gz UENHDIKJIWGNOV-WDEREUQCSA-N 1 0 217.353 1.392 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397775764 410934304 /nfs/dbraw/zinc/93/43/04/410934304.db2.gz SLTFZJOUNIZGJR-LMLFDSFASA-N 1 0 210.321 1.275 10 0 BDAERO CC(C)[C@H]1C[NH2+][C@H](C)CN1C(=O)C(F)(F)F ZINC000062618582 167496280 /nfs/dbraw/zinc/49/62/80/167496280.db2.gz XTSMACNTGNVKMW-HTQZYQBOSA-N 1 0 238.253 1.394 10 0 BDAERO CCO[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000042424840 411003072 /nfs/dbraw/zinc/00/30/72/411003072.db2.gz DUZHHVLICJHSPL-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)Cc1ccccn1 ZINC000655500229 411057313 /nfs/dbraw/zinc/05/73/13/411057313.db2.gz WKFRTCBLOMEYCY-PWSUYJOCSA-N 1 0 235.331 1.256 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCc1cnn(C)c1 ZINC000399317503 411033919 /nfs/dbraw/zinc/03/39/19/411033919.db2.gz GMTVSBNDQOWZPW-AAEUAGOBSA-N 1 0 237.347 1.198 10 0 BDAERO COc1cccnc1NC[C@@H]1CCC[NH2+]1 ZINC000107203726 411132835 /nfs/dbraw/zinc/13/28/35/411132835.db2.gz QQLJQJCPLMMDKV-VIFPVBQESA-N 1 0 207.277 1.254 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC000659999140 411163611 /nfs/dbraw/zinc/16/36/11/411163611.db2.gz WRLOQZPMHCYDIA-BFHYXJOUSA-N 1 0 239.359 1.650 10 0 BDAERO CC1(C)[C@H]([NH2+]C2CC(CO)C2)[C@@H]2CCCO[C@@H]21 ZINC000658356823 411157363 /nfs/dbraw/zinc/15/73/63/411157363.db2.gz PGTQUUGUYXRVJE-WJFHSMSDSA-N 1 0 239.359 1.551 10 0 BDAERO CN(C)c1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000053253609 411157552 /nfs/dbraw/zinc/15/75/52/411157552.db2.gz QEFCPZQYJWLTOU-LBPRGKRZSA-N 1 0 247.342 1.234 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCO[C@H](C)C1 ZINC000300393295 411120793 /nfs/dbraw/zinc/12/07/93/411120793.db2.gz XQNAEGGSIRSCFY-OUAUKWLOSA-N 1 0 228.336 1.044 10 0 BDAERO CC(C)c1noc(NC[C@H]2CC[NH2+]C2)n1 ZINC000107211580 167724493 /nfs/dbraw/zinc/72/44/93/167724493.db2.gz XPQNUHYTAYCJEX-QMMMGPOBSA-N 1 0 210.281 1.214 10 0 BDAERO C[NH2+]CCC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000043600270 411123313 /nfs/dbraw/zinc/12/33/13/411123313.db2.gz UPWUYQHREZQJDA-QMMMGPOBSA-N 1 0 242.269 1.752 10 0 BDAERO OC1(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)CCC1 ZINC000653811305 411188624 /nfs/dbraw/zinc/18/86/24/411188624.db2.gz DEALPOXHFGTMOJ-CYBMUJFWSA-N 1 0 239.359 1.935 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)O1 ZINC000128919136 411189654 /nfs/dbraw/zinc/18/96/54/411189654.db2.gz XSPXHGVUHAHAMO-NQBHXWOUSA-N 1 0 240.347 1.060 10 0 BDAERO CC[C@]1(C(=O)NCC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000128956103 411194777 /nfs/dbraw/zinc/19/47/77/411194777.db2.gz YLGQHPCAQGYRMV-WCQYABFASA-N 1 0 240.347 1.204 10 0 BDAERO CC(C)n1ccnc(N[C@H]2CCC[C@@H]2[NH3+])c1=O ZINC000063177167 167769810 /nfs/dbraw/zinc/76/98/10/167769810.db2.gz USKLVDGKFWPDSV-UWVGGRQHSA-N 1 0 236.319 1.116 10 0 BDAERO Cc1nc2cc(N3CC[NH2+]CC3)ccc2o1 ZINC000049816361 411245861 /nfs/dbraw/zinc/24/58/61/411245861.db2.gz SUOISQZYGNBDMY-UHFFFAOYSA-N 1 0 217.272 1.546 10 0 BDAERO CCc1cc(NC(=O)C[C@H]([NH3+])C(C)C)n[nH]1 ZINC000129100517 411225319 /nfs/dbraw/zinc/22/53/19/411225319.db2.gz GDXFRQBGHRTMEA-VIFPVBQESA-N 1 0 224.308 1.284 10 0 BDAERO C[C@H]1CCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000070834223 411227325 /nfs/dbraw/zinc/22/73/25/411227325.db2.gz LPPPUISAACJQOK-WNYYMSAVSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCC1CCC1 ZINC000660476292 411230207 /nfs/dbraw/zinc/23/02/07/411230207.db2.gz DYLGOXYASVIWRV-ZYHUDNBSSA-N 1 0 224.348 1.823 10 0 BDAERO CCc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)n[nH]1 ZINC000129131606 411231816 /nfs/dbraw/zinc/23/18/16/411231816.db2.gz XCTPKBCJISUAQF-SFYZADRCSA-N 1 0 222.292 1.038 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C)(C)C1 ZINC000129137040 411232683 /nfs/dbraw/zinc/23/26/83/411232683.db2.gz ICVMJQUOFZPWJP-JTQLQIEISA-N 1 0 212.337 1.618 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1ccc2[nH]ccc2c1 ZINC000310286868 411232885 /nfs/dbraw/zinc/23/28/85/411232885.db2.gz HBYHMMFFKSLGQQ-SECBINFHSA-N 1 0 231.299 1.506 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1 0 243.310 1.702 10 0 BDAERO CC1(NC(=O)C2CCC([NH3+])CC2)CCCC1 ZINC000042188004 168055738 /nfs/dbraw/zinc/05/57/38/168055738.db2.gz BRHYGXIYSQCMNS-UHFFFAOYSA-N 1 0 224.348 1.953 10 0 BDAERO C[C@]([NH3+])(C(=O)NC1(C)CCCCC1)C1CC1 ZINC000045046946 168059898 /nfs/dbraw/zinc/05/98/98/168059898.db2.gz LLDCXNTYDRNDCF-CYBMUJFWSA-N 1 0 224.348 1.953 10 0 BDAERO CC1([NH2+]C2CCS(=O)(=O)CC2)CCCC1 ZINC000042176803 168063441 /nfs/dbraw/zinc/06/34/41/168063441.db2.gz JNBLVUFEXUNKEE-UHFFFAOYSA-N 1 0 231.361 1.486 10 0 BDAERO CC1=C(C2CC[NH2+]CC2)SCC(=O)N1 ZINC000034085174 168086945 /nfs/dbraw/zinc/08/69/45/168086945.db2.gz RNKPJWGEFSZOMA-UHFFFAOYSA-N 1 0 212.318 1.081 10 0 BDAERO CC1(C[N@@H+]2CC[C@@H]3OCCN[C@H]3C2)CCC1 ZINC000404193779 411381844 /nfs/dbraw/zinc/38/18/44/411381844.db2.gz IIBOUAXATFJMKB-RYUDHWBXSA-N 1 0 224.348 1.239 10 0 BDAERO CC1CCC(C[NH2+][C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000063145122 168156907 /nfs/dbraw/zinc/15/69/07/168156907.db2.gz YZBYVJJDHHJFKJ-VQXHTEKXSA-N 1 0 238.331 1.160 10 0 BDAERO CC1CCC(NC(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000037478828 168162516 /nfs/dbraw/zinc/16/25/16/168162516.db2.gz WCDNJEYBVQIBJT-QEIKUCIBSA-N 1 0 224.348 1.809 10 0 BDAERO CC1CCN(C(=O)[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000019507266 168174929 /nfs/dbraw/zinc/17/49/29/168174929.db2.gz WSCATESUZYPACG-NWDGAFQWSA-N 1 0 224.348 1.633 10 0 BDAERO CC1CC[NH+](CCNc2ccncn2)CC1 ZINC000040863392 168180975 /nfs/dbraw/zinc/18/09/75/168180975.db2.gz CGBRXEQUROORRP-UHFFFAOYSA-N 1 0 220.320 1.620 10 0 BDAERO CC1CC[NH+](Cc2ccoc2CN)CC1 ZINC000052376991 168183838 /nfs/dbraw/zinc/18/38/38/168183838.db2.gz PBGYELNEQUXZLW-UHFFFAOYSA-N 1 0 208.305 1.970 10 0 BDAERO CC1CC[NH+](Cc2cnn(C)c2N)CC1 ZINC000058083249 168183902 /nfs/dbraw/zinc/18/39/02/168183902.db2.gz JOZWZYXJJXBFDQ-UHFFFAOYSA-N 1 0 208.309 1.234 10 0 BDAERO CC1CC[NH+]([C@@H](CN)C2CCOCC2)CC1 ZINC000052176460 168186879 /nfs/dbraw/zinc/18/68/79/168186879.db2.gz LNAQVIGEMBIORW-ZDUSSCGKSA-N 1 0 226.364 1.472 10 0 BDAERO CCC(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000020233066 168214443 /nfs/dbraw/zinc/21/44/43/168214443.db2.gz HALPBMWVSMXXHB-UHFFFAOYSA-N 1 0 224.279 1.918 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000659304000 411391307 /nfs/dbraw/zinc/39/13/07/411391307.db2.gz KXDJOYXLYQQNTD-KKOKHZNYSA-N 1 0 222.332 1.148 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CCCC2(CC2)C1 ZINC000659304425 411391677 /nfs/dbraw/zinc/39/16/77/411391677.db2.gz MKRCNPJRHAKBDQ-RYUDHWBXSA-N 1 0 236.359 1.683 10 0 BDAERO CCC(=O)NCC1(c2ccccc2)CC[NH2+]CC1 ZINC000033607281 168228898 /nfs/dbraw/zinc/22/88/98/168228898.db2.gz IEYZMSATIKDYOF-UHFFFAOYSA-N 1 0 246.354 1.834 10 0 BDAERO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC[C@H](O)C1 ZINC000659919247 411382936 /nfs/dbraw/zinc/38/29/36/411382936.db2.gz BHLNLPJQSVZAMV-PWSUYJOCSA-N 1 0 223.320 1.393 10 0 BDAERO CCC[C@H](C)N(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000659270263 411385846 /nfs/dbraw/zinc/38/58/46/411385846.db2.gz VNVHUWVEHPODPR-WCQYABFASA-N 1 0 242.363 1.402 10 0 BDAERO CCC(C)(C)C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000054403832 168267350 /nfs/dbraw/zinc/26/73/50/168267350.db2.gz DDNOBZPHSNEHFD-ZJUUUORDSA-N 1 0 212.337 1.809 10 0 BDAERO CCC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000054403829 168268288 /nfs/dbraw/zinc/26/82/88/168268288.db2.gz DDNOBZPHSNEHFD-VHSXEESVSA-N 1 0 212.337 1.809 10 0 BDAERO Cc1cc2c(NC[C@@H]3CCCC[NH2+]3)nccn2n1 ZINC000129753925 411386493 /nfs/dbraw/zinc/38/64/93/411386493.db2.gz QNUFMIAFVQAKSA-NSHDSACASA-N 1 0 245.330 1.592 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+]C[C@H]1CCCOC1 ZINC000049281802 168289410 /nfs/dbraw/zinc/28/94/10/168289410.db2.gz UXSFQTBKSZUEAO-LLVKDONJSA-N 1 0 242.363 1.307 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)CO1 ZINC000657309079 411458455 /nfs/dbraw/zinc/45/84/55/411458455.db2.gz ILGCCZFEKAUGJJ-KXNHARMFSA-N 1 0 213.321 1.711 10 0 BDAERO CC[N@H+](CCCO)C[C@H]1Cc2ccccc2O1 ZINC000125590272 169834066 /nfs/dbraw/zinc/83/40/66/169834066.db2.gz ACGRBLZRSYODMK-CYBMUJFWSA-N 1 0 235.327 1.694 10 0 BDAERO COC[C@]1(C(=O)N[C@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000659327488 411395436 /nfs/dbraw/zinc/39/54/36/411395436.db2.gz CJVLGRQJDRIBSQ-MFKMUULPSA-N 1 0 242.363 1.306 10 0 BDAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000659381689 411397820 /nfs/dbraw/zinc/39/78/20/411397820.db2.gz DPWPGNBLZSNMQD-LLUNPGSJSA-N 1 0 236.359 1.903 10 0 BDAERO CC[C@@H](C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000659339984 411398671 /nfs/dbraw/zinc/39/86/71/411398671.db2.gz FNOTZOIFOVAOPC-NEPJUHHUSA-N 1 0 226.364 1.929 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000055421376 411399040 /nfs/dbraw/zinc/39/90/40/411399040.db2.gz YYPHKZAKNWIGBU-VHSXEESVSA-N 1 0 218.300 1.572 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC(C)(C)F ZINC000659360395 411402990 /nfs/dbraw/zinc/40/29/90/411402990.db2.gz HYQZVOLUIQZMGL-UWVGGRQHSA-N 1 0 230.327 1.629 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1ccoc1 ZINC000659361557 411403260 /nfs/dbraw/zinc/40/32/60/411403260.db2.gz QLPXOAADHHHQJS-NEPJUHHUSA-N 1 0 236.315 1.313 10 0 BDAERO CC1CC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659378655 411406406 /nfs/dbraw/zinc/40/64/06/411406406.db2.gz QAVKLXZNRHKVKH-YYJSSNLHSA-N 1 0 224.348 1.618 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@]1(C)CC1(C)C ZINC000659379735 411406623 /nfs/dbraw/zinc/40/66/23/411406623.db2.gz NNKBYOCZHRKZAU-CWSCBRNRSA-N 1 0 224.348 1.679 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000659379895 411406928 /nfs/dbraw/zinc/40/69/28/411406928.db2.gz RZYGCHBPKQZMRN-BREBYQMCSA-N 1 0 224.348 1.666 10 0 BDAERO c1nc([C@H]2COCCN2Cc2ccccc2)c[nH]1 ZINC000616640495 411408409 /nfs/dbraw/zinc/40/84/09/411408409.db2.gz UWXZONRITJEYGY-CQSZACIVSA-N 1 0 243.310 1.983 10 0 BDAERO c1ccc2nnc([C@@H]3CCOCC[NH2+]3)cc2c1 ZINC000616658614 411412535 /nfs/dbraw/zinc/41/25/35/411412535.db2.gz HUELFHQDHGFRBF-LBPRGKRZSA-N 1 0 229.283 1.681 10 0 BDAERO CCN(C[C@@H](O)C[NH2+]C(C)C)c1ccccc1 ZINC000036950446 169885506 /nfs/dbraw/zinc/88/55/06/169885506.db2.gz AMMQQAYNLAKQDO-AWEZNQCLSA-N 1 0 236.359 1.872 10 0 BDAERO CC(C)(CC[N@@H+]1C[C@@H](O)C[C@@H]1CO)C1CC1 ZINC000653594436 411430385 /nfs/dbraw/zinc/43/03/85/411430385.db2.gz SITOHTWSORLTHK-NEPJUHHUSA-N 1 0 227.348 1.240 10 0 BDAERO C[N@@H+]1CCC[C@H]1CN1CCSCC1 ZINC000306934780 411463631 /nfs/dbraw/zinc/46/36/31/411463631.db2.gz GPZVNDIXGURFLM-JTQLQIEISA-N 1 0 200.351 1.129 10 0 BDAERO C[C@@H]([NH3+])CCNCc1csc(C2CC2)n1 ZINC000414817632 411446861 /nfs/dbraw/zinc/44/68/61/411446861.db2.gz BGUTYJWVYZJOGK-MRVPVSSYSA-N 1 0 225.361 1.847 10 0 BDAERO CCN(Cc1ccncc1)C[C@H]1C[C@H](OC)C[NH2+]1 ZINC000042516901 169925511 /nfs/dbraw/zinc/92/55/11/169925511.db2.gz UWMPAVKWUMXXJD-KGLIPLIRSA-N 1 0 249.358 1.280 10 0 BDAERO CCN(Cc1ccncc1)C[C@@H]1CCC[NH2+]C1 ZINC000042516888 169925592 /nfs/dbraw/zinc/92/55/92/169925592.db2.gz YERQWBVSUGKXJL-CQSZACIVSA-N 1 0 233.359 1.903 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]CCn2cc(C)cn2)CO1 ZINC000657354096 411474360 /nfs/dbraw/zinc/47/43/60/411474360.db2.gz ZBVAGLXHABUXLP-NWDGAFQWSA-N 1 0 223.320 1.349 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CO1 ZINC000657371505 411484587 /nfs/dbraw/zinc/48/45/87/411484587.db2.gz WUDCMTTYUXPRKC-RVMXOQNASA-N 1 0 227.348 1.695 10 0 BDAERO OCC[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659953630 411509899 /nfs/dbraw/zinc/50/98/99/411509899.db2.gz RBIFMYQKWCODLR-NXEZZACHSA-N 1 0 235.274 1.115 10 0 BDAERO CCC1(O)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000659956618 411511202 /nfs/dbraw/zinc/51/12/02/411511202.db2.gz CBTGYLLUBFHIAC-CHWSQXEVSA-N 1 0 241.375 1.774 10 0 BDAERO CC(C)(C)[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000660442526 411511276 /nfs/dbraw/zinc/51/12/76/411511276.db2.gz WSFJDWVSIXWQHR-IJLUTSLNSA-N 1 0 227.348 1.647 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000040502089 169975749 /nfs/dbraw/zinc/97/57/49/169975749.db2.gz UOZSDBURTHMMBA-ZDUSSCGKSA-N 1 0 219.332 1.656 10 0 BDAERO CCN1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336891767 170010958 /nfs/dbraw/zinc/01/09/58/170010958.db2.gz IWPRGPALYUDKDD-NWDGAFQWSA-N 1 0 212.337 1.097 10 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BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000309959438 170038221 /nfs/dbraw/zinc/03/82/21/170038221.db2.gz KHIXCOIJICXYGL-WUHRBBMRSA-N 1 0 226.364 1.484 10 0 BDAERO CCNC(=[NH2+])N1CCc2nc[nH]c2[C@@H]1CC ZINC000045806341 170041398 /nfs/dbraw/zinc/04/13/98/170041398.db2.gz ADYLVPJKNVHFQR-VIFPVBQESA-N 1 0 221.308 1.263 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1cccc(F)c1 ZINC000076620554 170053945 /nfs/dbraw/zinc/05/39/45/170053945.db2.gz KENJHDGOJXLRDZ-LLVKDONJSA-N 1 0 238.306 1.784 10 0 BDAERO CCNC(=O)COc1ccc(C)cc1CC[NH3+] ZINC000071411632 170067257 /nfs/dbraw/zinc/06/72/57/170067257.db2.gz WTSWJLUGDIKABG-UHFFFAOYSA-N 1 0 236.315 1.011 10 0 BDAERO Cc1ccc(F)cc1C[NH2+][C@@H]1CCNC1=O ZINC000657525713 411543408 /nfs/dbraw/zinc/54/34/08/411543408.db2.gz TYALOMUAPJLIKI-LLVKDONJSA-N 1 0 222.263 1.112 10 0 BDAERO CCNC(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950614 170071812 /nfs/dbraw/zinc/07/18/12/170071812.db2.gz QCOYSGXBVLEEBX-UHFFFAOYSA-N 1 0 207.277 1.311 10 0 BDAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037264790 170077052 /nfs/dbraw/zinc/07/70/52/170077052.db2.gz QKONZTZURWJMLY-VHSXEESVSA-N 1 0 243.351 1.245 10 0 BDAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000037264792 170077704 /nfs/dbraw/zinc/07/77/04/170077704.db2.gz QKONZTZURWJMLY-NXEZZACHSA-N 1 0 243.351 1.245 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009906 170087838 /nfs/dbraw/zinc/08/78/38/170087838.db2.gz WUJXPWUKLDVAPN-ZYHUDNBSSA-N 1 0 248.326 1.104 10 0 BDAERO CCNC(=O)[C@@H](CC[NH3+])c1ccccc1OC ZINC000076618945 170089882 /nfs/dbraw/zinc/08/98/82/170089882.db2.gz MLURPMTVTPPBIO-NSHDSACASA-N 1 0 236.315 1.264 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccccc1F ZINC000076620468 170090281 /nfs/dbraw/zinc/09/02/81/170090281.db2.gz XGPCHUQIJJSFLV-NSHDSACASA-N 1 0 238.306 1.784 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009907 170095207 /nfs/dbraw/zinc/09/52/07/170095207.db2.gz WUJXPWUKLDVAPN-CMPLNLGQSA-N 1 0 248.326 1.104 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1ccccc1C ZINC000076616799 170097461 /nfs/dbraw/zinc/09/74/61/170097461.db2.gz GSUXHOUQXZSKCE-CYBMUJFWSA-N 1 0 234.343 1.954 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(C)CCc1ccccn1 ZINC000061288273 170105964 /nfs/dbraw/zinc/10/59/64/170105964.db2.gz KZMDPVVREAMIFZ-UHFFFAOYSA-N 1 0 249.358 1.471 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCO[C@H](CC)C1 ZINC000061289369 170106775 /nfs/dbraw/zinc/10/67/75/170106775.db2.gz RMKMWYNXKMLQAG-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1ncc(C)s1 ZINC000061287527 170107832 /nfs/dbraw/zinc/10/78/32/170107832.db2.gz ZOJYIVHVIHNBPU-UHFFFAOYSA-N 1 0 227.333 1.778 10 0 BDAERO CC[NH2+]C(C)(C)c1nnc(C)n1C1CC1 ZINC000061152058 170107838 /nfs/dbraw/zinc/10/78/38/170107838.db2.gz UMNCXMDLUMESMZ-UHFFFAOYSA-N 1 0 208.309 1.766 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000061287705 170107923 /nfs/dbraw/zinc/10/79/23/170107923.db2.gz KKCGBTLWDAJWOL-GHMZBOCLSA-N 1 0 226.364 1.879 10 0 BDAERO CC[NH2+]C1CCN(Cc2cnn(CC)c2)CC1 ZINC000050530795 170108225 /nfs/dbraw/zinc/10/82/25/170108225.db2.gz AFVUWTQRYGFOAQ-UHFFFAOYSA-N 1 0 236.363 1.477 10 0 BDAERO CC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000036880616 170108338 /nfs/dbraw/zinc/10/83/38/170108338.db2.gz NCUVOYKYABTNHJ-WNYYMSAVSA-N 1 0 224.348 1.679 10 0 BDAERO CC[NH2+]CC(=O)NCC[C@@H](C)c1ccccc1 ZINC000061910967 170109469 /nfs/dbraw/zinc/10/94/69/170109469.db2.gz MFHMRGJYJKQRHL-GFCCVEGCSA-N 1 0 234.343 1.906 10 0 BDAERO CC[NH2+]CC1(CN2CCOC[C@@H]2C)CCCC1 ZINC000051216731 170110823 /nfs/dbraw/zinc/11/08/23/170110823.db2.gz HPHBISDRNBFXRG-ZDUSSCGKSA-N 1 0 240.391 1.877 10 0 BDAERO CC[NH2+]CCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000061287920 170112168 /nfs/dbraw/zinc/11/21/68/170112168.db2.gz IDJWCDGMWSSYEL-GHMZBOCLSA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+]CCCNc1ccc(C(N)=O)cc1 ZINC000038043401 170112818 /nfs/dbraw/zinc/11/28/18/170112818.db2.gz DZGUYTDAHMPDRK-UHFFFAOYSA-N 1 0 221.304 1.197 10 0 BDAERO CC[NH2+]CCCNc1nc2ccccc2[nH]1 ZINC000038043394 170113010 /nfs/dbraw/zinc/11/30/10/170113010.db2.gz YPAJNOUNHCRIFI-UHFFFAOYSA-N 1 0 218.304 1.974 10 0 BDAERO CC[NH2+]CCCNc1ccc(Cl)nn1 ZINC000038043383 170113055 /nfs/dbraw/zinc/11/30/55/170113055.db2.gz GUZPECCHWFQNMD-UHFFFAOYSA-N 1 0 214.700 1.542 10 0 BDAERO CC[NH2+]CCCc1cnn(-c2ncccn2)c1 ZINC000054680223 170113393 /nfs/dbraw/zinc/11/33/93/170113393.db2.gz NZQUKARYRRQBHT-UHFFFAOYSA-N 1 0 231.303 1.204 10 0 BDAERO CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000236937705 170114621 /nfs/dbraw/zinc/11/46/21/170114621.db2.gz LKISUMWDYUEMEL-ZIAGYGMSSA-N 1 0 246.354 1.824 10 0 BDAERO CC[NH2+]CCn1cnc2ccccc2c1=O ZINC000042410290 170118147 /nfs/dbraw/zinc/11/81/47/170118147.db2.gz QGCVYFJZDCBTIZ-UHFFFAOYSA-N 1 0 217.272 1.006 10 0 BDAERO CC[NH2+]C[C@@H](C(C)C)N(C)Cc1cnn(C)c1 ZINC000052570254 170118306 /nfs/dbraw/zinc/11/83/06/170118306.db2.gz AFVMPZXYIFVFJU-ZDUSSCGKSA-N 1 0 238.379 1.486 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(CC(C)C)C1CC1 ZINC000061236059 170118352 /nfs/dbraw/zinc/11/83/52/170118352.db2.gz YQJVDQAPBZTQOH-LLVKDONJSA-N 1 0 226.364 1.879 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccccc1OCC ZINC000004401905 170118743 /nfs/dbraw/zinc/11/87/43/170118743.db2.gz BNPMDBJUXVDFRI-LLVKDONJSA-N 1 0 239.315 1.435 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000032014425 170119747 /nfs/dbraw/zinc/11/97/47/170119747.db2.gz JZUQLOWUEGHLQF-SNVBAGLBSA-N 1 0 223.272 1.101 10 0 BDAERO CC[NH2+]C[C@@H]1CCN(c2cccnc2)C1 ZINC000053010322 170119795 /nfs/dbraw/zinc/11/97/95/170119795.db2.gz NZHJCEMAUGIYSS-NSHDSACASA-N 1 0 205.305 1.517 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000037864497 170119894 /nfs/dbraw/zinc/11/98/94/170119894.db2.gz CGURBDASJWWYEC-SNVBAGLBSA-N 1 0 201.216 1.608 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000032012118 170120458 /nfs/dbraw/zinc/12/04/58/170120458.db2.gz WUOYWYFPIZJNCR-SECBINFHSA-N 1 0 209.245 1.058 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccccc1OCC ZINC000032012208 170120507 /nfs/dbraw/zinc/12/05/07/170120507.db2.gz ZCPWHWWNNDOOJC-LLVKDONJSA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(CCO)C(CC)CC ZINC000061267844 170120938 /nfs/dbraw/zinc/12/09/38/170120938.db2.gz CBMQNPXCELTYSV-NSHDSACASA-N 1 0 244.379 1.242 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1cc(C)ccn1 ZINC000053697066 170122485 /nfs/dbraw/zinc/12/24/85/170122485.db2.gz PDBVTNNQFCIISU-GFCCVEGCSA-N 1 0 219.332 1.968 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1cc(CC)ncn1 ZINC000053696991 170122823 /nfs/dbraw/zinc/12/28/23/170122823.db2.gz PIZZQTYCDXWUOP-GFCCVEGCSA-N 1 0 234.347 1.617 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc(OC)c(Cl)c1 ZINC000049821522 170122824 /nfs/dbraw/zinc/12/28/24/170122824.db2.gz VMMKCILREQHXKZ-JTQLQIEISA-N 1 0 229.707 1.992 10 0 BDAERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)C2CC2)nn1 ZINC000051445615 170126231 /nfs/dbraw/zinc/12/62/31/170126231.db2.gz AXJYCPPWHDXMGW-JTQLQIEISA-N 1 0 234.347 1.821 10 0 BDAERO CC[NH2+]Cc1ccc(N(C)[C@H](C)C2CC2)nn1 ZINC000051445618 170126723 /nfs/dbraw/zinc/12/67/23/170126723.db2.gz AXJYCPPWHDXMGW-SNVBAGLBSA-N 1 0 234.347 1.821 10 0 BDAERO CC[NH2+]Cc1ccc(OCCn2cncn2)cc1 ZINC000052575139 170127650 /nfs/dbraw/zinc/12/76/50/170127650.db2.gz NYPPRLYQKLTRON-UHFFFAOYSA-N 1 0 246.314 1.467 10 0 BDAERO CC[NH2+]Cc1ccccc1-n1ccnc1 ZINC000034825227 170128048 /nfs/dbraw/zinc/12/80/48/170128048.db2.gz DRFTXGNYNCZPSL-UHFFFAOYSA-N 1 0 201.273 1.982 10 0 BDAERO CCNC(=O)CN(C)c1ccccc1C[NH2+]CC ZINC000049727854 170128241 /nfs/dbraw/zinc/12/82/41/170128241.db2.gz SHPHOFRWDFHXDO-UHFFFAOYSA-N 1 0 249.358 1.368 10 0 BDAERO CC[NH2+]Cc1cnc(-c2cccnc2)nc1 ZINC000054855725 170129275 /nfs/dbraw/zinc/12/92/75/170129275.db2.gz ACINLVUJYROODA-UHFFFAOYSA-N 1 0 214.272 1.648 10 0 BDAERO CC[NH2+]Cc1cnc(-n2cncn2)c(Cl)c1 ZINC000051489513 170129973 /nfs/dbraw/zinc/12/99/73/170129973.db2.gz BEIFOYKUCGKCKP-UHFFFAOYSA-N 1 0 237.694 1.425 10 0 BDAERO CC[NH2+]Cc1nc2cc(F)ccc2n1C ZINC000044623822 170131496 /nfs/dbraw/zinc/13/14/96/170131496.db2.gz UGAFVSSQFXELOL-UHFFFAOYSA-N 1 0 207.252 1.822 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1ccc(C)cc1 ZINC000054744499 170131608 /nfs/dbraw/zinc/13/16/08/170131608.db2.gz FVOKGLBBQXZELS-UHFFFAOYSA-N 1 0 217.276 1.080 10 0 BDAERO CC[NH2+]Cc1sccc1CN1CCOCC1 ZINC000045205684 170133039 /nfs/dbraw/zinc/13/30/39/170133039.db2.gz IBPDAIZFVMSNJY-UHFFFAOYSA-N 1 0 240.372 1.690 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1cc(C)sc1C ZINC000049687601 170138157 /nfs/dbraw/zinc/13/81/57/170138157.db2.gz NONJEKBQVXIHTP-SECBINFHSA-N 1 0 212.318 1.501 10 0 BDAERO CC[NH2+][C@@H](C)[C@@H](C)N1CCn2ccnc2C1 ZINC000062250455 170140460 /nfs/dbraw/zinc/14/04/60/170140460.db2.gz QPJMCYVOZGXOFE-WDEREUQCSA-N 1 0 222.336 1.085 10 0 BDAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1Cc1ncccn1 ZINC000104420352 170141428 /nfs/dbraw/zinc/14/14/28/170141428.db2.gz IZABWFDVUVRQJG-QWHCGFSZSA-N 1 0 248.374 1.829 10 0 BDAERO CC[NH2+][C@@H](C)c1cccc(NC(N)=O)c1 ZINC000035645618 170142076 /nfs/dbraw/zinc/14/20/76/170142076.db2.gz TUISBCUOJMMMAJ-QMMMGPOBSA-N 1 0 207.277 1.848 10 0 BDAERO CC[NH2+][C@@H](C)c1cnc(-c2nc[nH]n2)s1 ZINC000054159628 170142969 /nfs/dbraw/zinc/14/29/69/170142969.db2.gz CQCAZMDDYLMBIQ-LURJTMIESA-N 1 0 223.305 1.599 10 0 BDAERO CCN[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000050270339 170144899 /nfs/dbraw/zinc/14/48/99/170144899.db2.gz KPHVNFGPIKQFGU-NSHDSACASA-N 1 0 236.315 1.457 10 0 BDAERO CC[NH2+][C@@H](CCO)C1CN(Cc2ccccc2)C1 ZINC000095091412 170145644 /nfs/dbraw/zinc/14/56/44/170145644.db2.gz XGIOTCZSTBASQF-HNNXBMFYSA-N 1 0 248.370 1.479 10 0 BDAERO CC[NH2+][C@@H](c1ccc(C)o1)[C@H]1COCCO1 ZINC000055301191 170147153 /nfs/dbraw/zinc/14/71/53/170147153.db2.gz QISUMQPVZIVLQV-NEPJUHHUSA-N 1 0 225.288 1.654 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1N(C)Cc1nccn1C ZINC000062251428 170150792 /nfs/dbraw/zinc/15/07/92/170150792.db2.gz CLIRIJAGJNZMTJ-NEPJUHHUSA-N 1 0 236.363 1.383 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000095091449 170151650 /nfs/dbraw/zinc/15/16/50/170151650.db2.gz QWSAFDJDZVPCLE-HUUCEWRRSA-N 1 0 248.370 1.479 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cc(F)ccc2C)C1=O ZINC000049647885 170152838 /nfs/dbraw/zinc/15/28/38/170152838.db2.gz QXUUWCLSXAMQLL-LLVKDONJSA-N 1 0 236.290 1.849 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cc(C)ccc2OC)C1=O ZINC000049647345 170152923 /nfs/dbraw/zinc/15/29/23/170152923.db2.gz RTQDOLIYZSGZBE-LLVKDONJSA-N 1 0 248.326 1.718 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(OCC)cc2)C1=O ZINC000049647177 170153052 /nfs/dbraw/zinc/15/30/52/170153052.db2.gz SUHWRXYSLAWWFJ-CYBMUJFWSA-N 1 0 248.326 1.800 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cc(F)ccc2F)C1=O ZINC000049647403 170153093 /nfs/dbraw/zinc/15/30/93/170153093.db2.gz DGVOJHRAPCPOBH-SNVBAGLBSA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@@]1(C(N)=O)CCCc2ccccc21 ZINC000037869578 170155896 /nfs/dbraw/zinc/15/58/96/170155896.db2.gz NUFYVPPGLSTIQV-ZDUSSCGKSA-N 1 0 218.300 1.313 10 0 BDAERO CC[NH2+][C@@]1(C(N)=O)CCCc2sccc21 ZINC000061329858 170156013 /nfs/dbraw/zinc/15/60/13/170156013.db2.gz ARJPVPNPBKNDCW-NSHDSACASA-N 1 0 224.329 1.375 10 0 BDAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(OC)c(F)c1 ZINC000071533161 170158664 /nfs/dbraw/zinc/15/86/64/170158664.db2.gz BWMSAKFRSYRKSM-PELKAZGASA-N 1 0 227.279 1.866 10 0 BDAERO CC[NH2+][C@H](C)c1cnn([C@@H]2CCC[C@@H]2O)c1C ZINC000054599604 170160160 /nfs/dbraw/zinc/16/01/60/170160160.db2.gz FUTTXPYDBCOIBO-WQAKAFBOSA-N 1 0 237.347 1.948 10 0 BDAERO CC[NH2+][C@H](C)c1ccccc1NC(N)=O ZINC000035645872 170160179 /nfs/dbraw/zinc/16/01/79/170160179.db2.gz NCVNNPJZMAFZAQ-MRVPVSSYSA-N 1 0 207.277 1.848 10 0 BDAERO CC[NH2+][C@H](CO)c1ccc(OCC)c(F)c1 ZINC000071533193 170162180 /nfs/dbraw/zinc/16/21/80/170162180.db2.gz OUXXVJJDUBHZDJ-LLVKDONJSA-N 1 0 227.279 1.867 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2csc(C)n2)C1 ZINC000049533919 170167891 /nfs/dbraw/zinc/16/78/91/170167891.db2.gz RKFLFRPJIWQMFJ-JTQLQIEISA-N 1 0 225.361 1.635 10 0 BDAERO CC[NH2+][C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC000042821659 170168091 /nfs/dbraw/zinc/16/80/91/170168091.db2.gz UYRHPHZYMHFWBP-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccco2)C1=O ZINC000049648194 170168310 /nfs/dbraw/zinc/16/83/10/170168310.db2.gz SWCDKAVHYMABAP-UWVGGRQHSA-N 1 0 222.288 1.551 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cnn(CC)c2)[C@H](C)C1 ZINC000049711255 170168973 /nfs/dbraw/zinc/16/89/73/170168973.db2.gz SLSDKUXZUVKECS-NEPJUHHUSA-N 1 0 236.363 1.870 10 0 BDAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(F)cc1 ZINC000037447500 170170589 /nfs/dbraw/zinc/17/05/89/170170589.db2.gz QTZTWKFJLMCVNF-NSHDSACASA-N 1 0 210.252 1.136 10 0 BDAERO CCN[C@]1(C(=O)OC(C)(C)C)CCC[NH2+]C1 ZINC000035270107 170170761 /nfs/dbraw/zinc/17/07/61/170170761.db2.gz BGXRAAQPXQUSBH-GFCCVEGCSA-N 1 0 228.336 1.060 10 0 BDAERO CCNc1cc(C[N@@H+]2CC[C@@H](O)C2)ccn1 ZINC000061711638 170172304 /nfs/dbraw/zinc/17/23/04/170172304.db2.gz KNFBPELVMZTYQF-LLVKDONJSA-N 1 0 221.304 1.080 10 0 BDAERO CCNc1nc2c(cc1C[NH3+])CCCC2 ZINC000050423093 170177186 /nfs/dbraw/zinc/17/71/86/170177186.db2.gz XYGPMQWWYJJQDP-UHFFFAOYSA-N 1 0 205.305 1.851 10 0 BDAERO CCOC(=O)CC[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009825 170208763 /nfs/dbraw/zinc/20/87/63/170208763.db2.gz ROGBKDJUFCGVEL-GFCCVEGCSA-N 1 0 249.310 1.533 10 0 BDAERO CCOC(=O)CC[NH2+]Cc1cccc(F)c1 ZINC000036985692 170209151 /nfs/dbraw/zinc/20/91/51/170209151.db2.gz AEAZRDJHUUOXOR-UHFFFAOYSA-N 1 0 225.263 1.869 10 0 BDAERO CCOC(=O)CCn1c(C)[nH+]c2cc(N)ccc21 ZINC000052854660 170212495 /nfs/dbraw/zinc/21/24/95/170212495.db2.gz QYNGKDNBBCRIJD-UHFFFAOYSA-N 1 0 247.298 1.880 10 0 BDAERO CCOC(=O)CNCCC[N@@H+]1CCCC[C@H]1C ZINC000020048074 170225626 /nfs/dbraw/zinc/22/56/26/170225626.db2.gz PWZHBOIAEVGJPS-GFCCVEGCSA-N 1 0 242.363 1.404 10 0 BDAERO CCOC(=O)Cn1c(N)[nH+]c2cc(F)ccc21 ZINC000037564234 170237134 /nfs/dbraw/zinc/23/71/34/170237134.db2.gz YMPFKUUSBCWRIC-UHFFFAOYSA-N 1 0 237.234 1.321 10 0 BDAERO CCOC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746760 170237947 /nfs/dbraw/zinc/23/79/47/170237947.db2.gz CSPWCYWGKJUIMR-ULKQDVFKSA-N 1 0 212.293 1.358 10 0 BDAERO CCOC(=O)N(CC[NH3+])C1CCCCC1 ZINC000082591051 170238709 /nfs/dbraw/zinc/23/87/09/170238709.db2.gz NXTVDBZWGURTRM-UHFFFAOYSA-N 1 0 214.309 1.736 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1cccc(C)c1 ZINC000019421360 170242894 /nfs/dbraw/zinc/24/28/94/170242894.db2.gz HGNGNMXWHDQVPT-NSHDSACASA-N 1 0 222.288 1.741 10 0 BDAERO CCOC(=O)[C@@](C)(N)C[N@@H+]1CCC[C@H](C)CC1 ZINC000104350540 170260421 /nfs/dbraw/zinc/26/04/21/170260421.db2.gz FKMMFTWKVJIKEH-AAEUAGOBSA-N 1 0 242.363 1.389 10 0 BDAERO CCOC(=O)[C@@]1([NH3+])CC[C@H](OC(C)(C)C)C1 ZINC000035630192 170263053 /nfs/dbraw/zinc/26/30/53/170263053.db2.gz UPTXHFIKMPXRKH-JOYOIKCWSA-N 1 0 229.320 1.615 10 0 BDAERO CCOC(=O)[C@H](C)C[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053245926 170264307 /nfs/dbraw/zinc/26/43/07/170264307.db2.gz AKONGIGBBZUYCC-VXGBXAGGSA-N 1 0 242.363 1.212 10 0 BDAERO CCOC(=O)[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000060079552 170266786 /nfs/dbraw/zinc/26/67/86/170266786.db2.gz QYTLRSBACHQEEJ-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO CCOC(=O)[C@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000114749918 170269338 /nfs/dbraw/zinc/26/93/38/170269338.db2.gz KPZGFPBBJHHUMH-JTQLQIEISA-N 1 0 248.326 1.996 10 0 BDAERO C[C@]1(CO)CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000660277864 411564229 /nfs/dbraw/zinc/56/42/29/411564229.db2.gz RNDIVKQGLGKKCK-RWMBFGLXSA-N 1 0 227.348 1.384 10 0 BDAERO Cc1c(C[NH2+]CCO[C@H]2CC2(F)F)cnn1C ZINC000657620029 411564930 /nfs/dbraw/zinc/56/49/30/411564930.db2.gz ZSKCNKGQOPVHKJ-JTQLQIEISA-N 1 0 245.273 1.242 10 0 BDAERO CCOC1CC(C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000336778541 170325796 /nfs/dbraw/zinc/32/57/96/170325796.db2.gz LORRFQOGYVTAEV-XVSSEFHLSA-N 1 0 227.348 1.959 10 0 BDAERO CCOC1CCN(CC[NH2+][C@@H](C)C2CC2)CC1 ZINC000053389392 170332052 /nfs/dbraw/zinc/33/20/52/170332052.db2.gz SDCMHBIAPHKXPH-LBPRGKRZSA-N 1 0 240.391 1.875 10 0 BDAERO CCOCCC[N@@H+]1C[C@@H](CC)NC[C@H]1CC ZINC000083088806 170374699 /nfs/dbraw/zinc/37/46/99/170374699.db2.gz ZYMUENHAXFUWGK-CHWSQXEVSA-N 1 0 228.380 1.875 10 0 BDAERO CCOCCC[N@@H+]1C[C@H](C)NC[C@@H]1CC ZINC000083085234 170376634 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/nfs/dbraw/zinc/85/12/65/170851265.db2.gz ZUAXXLHRIXWLMU-JTQLQIEISA-N 1 0 230.377 1.244 10 0 BDAERO CC[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)C(C)C ZINC000129186494 170881843 /nfs/dbraw/zinc/88/18/43/170881843.db2.gz KCUPVOVKUUIFKI-MWLCHTKSSA-N 1 0 212.337 1.393 10 0 BDAERO Nc1cc([C@H]2CCC[N@H+](CCO)CC2)ccn1 ZINC000616600414 411950522 /nfs/dbraw/zinc/95/05/22/411950522.db2.gz IVNRKJNYEZPHLZ-NSHDSACASA-N 1 0 235.331 1.226 10 0 BDAERO Nc1ccc([C@@H]2CCCC[N@H+](CCO)C2)cn1 ZINC000616604981 411961765 /nfs/dbraw/zinc/96/17/65/411961765.db2.gz IRCSEJDTCDTYOM-GFCCVEGCSA-N 1 0 235.331 1.226 10 0 BDAERO CC[C@@H](c1ccccc1)N1C[C@@H]([NH3+])CC1=O ZINC000051629817 170954163 /nfs/dbraw/zinc/95/41/63/170954163.db2.gz INUZVFYWZOQOEK-RYUDHWBXSA-N 1 0 218.300 1.697 10 0 BDAERO CO[C@@H](CN[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662265930 412058083 /nfs/dbraw/zinc/05/80/83/412058083.db2.gz UNJNDJBHKWQUGW-OLZOCXBDSA-N 1 0 226.364 1.533 10 0 BDAERO CC[C@@H]1CCN(Cc2ccco2)CC[NH2+]1 ZINC000049661353 171011554 /nfs/dbraw/zinc/01/15/54/171011554.db2.gz JJPMKFGEQDRYKF-LLVKDONJSA-N 1 0 208.305 1.854 10 0 BDAERO CC[C@@H]1CN(C[C@@H]2CCCO2)[C@H](C)C[NH2+]1 ZINC000082936441 171086482 /nfs/dbraw/zinc/08/64/82/171086482.db2.gz ZTINBPJBYUJTJQ-UTUOFQBUSA-N 1 0 212.337 1.238 10 0 BDAERO CC[C@@H]1CN(C[C@H]([NH3+])C(C)C)CCO1 ZINC000036770145 171086913 /nfs/dbraw/zinc/08/69/13/171086913.db2.gz NFSMTOICCGGILG-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO CC[C@@H]1CN(Cc2occc2C[NH3+])CCO1 ZINC000052477100 171094522 /nfs/dbraw/zinc/09/45/22/171094522.db2.gz WFLIOWXDRBLGOK-LLVKDONJSA-N 1 0 224.304 1.349 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccccn1 ZINC000082934929 171101234 /nfs/dbraw/zinc/10/12/34/171101234.db2.gz SFQGXKHLFRMNPD-WCQYABFASA-N 1 0 219.332 1.654 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1c1nc(C)cs1 ZINC000082452238 171101286 /nfs/dbraw/zinc/10/12/86/171101286.db2.gz SWZVLGGCGQEHQS-SECBINFHSA-N 1 0 211.334 1.640 10 0 BDAERO CC[C@@H]1COCCN1C[C@H]([NH3+])C(C)C ZINC000036326939 171106480 /nfs/dbraw/zinc/10/64/80/171106480.db2.gz UJLIUGOXOBTSBC-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO CC[C@@](C)(C[NH3+])N1CCOCC1(C)C ZINC000042461535 171166718 /nfs/dbraw/zinc/16/67/18/171166718.db2.gz HBQXXSHXEXVFQG-NSHDSACASA-N 1 0 200.326 1.225 10 0 BDAERO CC[C@@](C)(O)C[N@H+](C)Cc1cnn(C)c1 ZINC000119411857 171178470 /nfs/dbraw/zinc/17/84/70/171178470.db2.gz XFVXCXUUIMSNBT-LLVKDONJSA-N 1 0 211.309 1.013 10 0 BDAERO CC[C@@](C)(O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000158831530 171184779 /nfs/dbraw/zinc/18/47/79/171184779.db2.gz OKYGPRIRYIJVJY-QWHCGFSZSA-N 1 0 223.316 1.471 10 0 BDAERO CC[C@@]([NH2+]C)(C(N)=O)c1ccc(F)cc1 ZINC000037458962 171192711 /nfs/dbraw/zinc/19/27/11/171192711.db2.gz SBVPVUFWQWONAO-NSHDSACASA-N 1 0 210.252 1.136 10 0 BDAERO CC[C@@](C[NH3+])(C(=O)OC)c1ccccc1 ZINC000075614549 171193318 /nfs/dbraw/zinc/19/33/18/171193318.db2.gz LBFXXUAFPNZGHQ-LBPRGKRZSA-N 1 0 207.273 1.466 10 0 BDAERO CC[C@@](O)(C[NH3+])c1cc(OC)ccc1OC ZINC000032015021 171194098 /nfs/dbraw/zinc/19/40/98/171194098.db2.gz NZPYDEKCERQGIF-GFCCVEGCSA-N 1 0 225.288 1.260 10 0 BDAERO CC[C@@]1(C(=O)N2CCCOCC2)CCC[NH2+]C1 ZINC000062861441 171194536 /nfs/dbraw/zinc/19/45/36/171194536.db2.gz QDEHVIXUYSZIKE-CYBMUJFWSA-N 1 0 240.347 1.015 10 0 BDAERO CC[C@H](C)C(=O)NC1CCC([NH2+]C)CC1 ZINC000036880486 171250459 /nfs/dbraw/zinc/25/04/59/171250459.db2.gz MRTMGXODVLSUDR-WHXUTIOJSA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)=CCC[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000662283709 412076159 /nfs/dbraw/zinc/07/61/59/412076159.db2.gz CQTHHNDJIQJLSD-STQMWFEESA-N 1 0 224.348 1.405 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000376911687 171282079 /nfs/dbraw/zinc/28/20/79/171282079.db2.gz OVFYVIHGGCEKHT-JMJZKYOTSA-N 1 0 239.319 1.532 10 0 BDAERO CC[C@H](C)N(C)C(=O)[C@H]([NH3+])C(C)(C)C ZINC000077568341 171303478 /nfs/dbraw/zinc/30/34/78/171303478.db2.gz FERQFEPEXSCDHV-IUCAKERBSA-N 1 0 200.326 1.617 10 0 BDAERO CC[C@H](C)N(CC[NH3+])Cc1cccnc1 ZINC000076584313 171313389 /nfs/dbraw/zinc/31/33/89/171313389.db2.gz UVQYPZWYAPUEBT-NSHDSACASA-N 1 0 207.321 1.641 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000042591231 171315416 /nfs/dbraw/zinc/31/54/16/171315416.db2.gz UCWKVANIXNCZQE-GWCFXTLKSA-N 1 0 242.363 1.387 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000042591132 171315921 /nfs/dbraw/zinc/31/59/21/171315921.db2.gz KRAVAAJKZCVDAN-NWDGAFQWSA-N 1 0 242.363 1.260 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccnn1C(C)C ZINC000037394546 171339644 /nfs/dbraw/zinc/33/96/44/171339644.db2.gz LRHZVQWZEBMVJC-JTQLQIEISA-N 1 0 238.335 1.791 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N(CC)[C@@H](C)COC ZINC000037811946 171339678 /nfs/dbraw/zinc/33/96/78/171339678.db2.gz GYOOHSZLATUOKZ-QWRGUYRKSA-N 1 0 230.352 1.258 10 0 BDAERO CC[C@H](C)[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055076113 171340353 /nfs/dbraw/zinc/34/03/53/171340353.db2.gz NDJYJMUTNYHSLC-AWEZNQCLSA-N 1 0 241.423 1.648 10 0 BDAERO CC[C@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000336767845 171345807 /nfs/dbraw/zinc/34/58/07/171345807.db2.gz SUEJWXOMYUPPLG-JQWIXIFHSA-N 1 0 215.337 1.552 10 0 BDAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCc2ccccc2C1 ZINC000038065127 171349890 /nfs/dbraw/zinc/34/98/90/171349890.db2.gz XMVPVRVUTZEYIJ-XHDPSFHLSA-N 1 0 246.354 1.788 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1(C)CCCC1 ZINC000042187989 171369608 /nfs/dbraw/zinc/36/96/08/171369608.db2.gz WLUHHTRZZKXBNY-VHSXEESVSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1nnc2ccccn21 ZINC000019426142 171372745 /nfs/dbraw/zinc/37/27/45/171372745.db2.gz CCRAKYARYUMUBQ-WCBMZHEXSA-N 1 0 204.277 1.775 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ncccc1O ZINC000160914568 171372824 /nfs/dbraw/zinc/37/28/24/171372824.db2.gz MZHWNJMVANNJSV-IONNQARKSA-N 1 0 223.276 1.099 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000129444043 171390044 /nfs/dbraw/zinc/39/00/44/171390044.db2.gz IYWCYZKBPGAPJJ-GARJFASQSA-N 1 0 222.336 1.617 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CSc1ncccn1 ZINC000087541458 171396405 /nfs/dbraw/zinc/39/64/05/171396405.db2.gz SFKLTUQISSYCQY-DTWKUNHWSA-N 1 0 211.334 1.942 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842830 171396442 /nfs/dbraw/zinc/39/64/42/171396442.db2.gz CPWHBELVOUAXNL-CPCISQLKSA-N 1 0 219.288 1.902 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CN1CCOCC1(C)C ZINC000042463168 171396723 /nfs/dbraw/zinc/39/67/23/171396723.db2.gz DQYWFBZFZVXMTQ-WDEREUQCSA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CN(CCOC)[C@@H](C)COC ZINC000042610831 171396728 /nfs/dbraw/zinc/39/67/28/171396728.db2.gz SNHWWDLVVWATNT-RWMBFGLXSA-N 1 0 246.395 1.343 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1ccnc2ccccc21 ZINC000132621068 412141159 /nfs/dbraw/zinc/14/11/59/412141159.db2.gz ZQAUCSQAQBYPRR-SNVBAGLBSA-N 1 0 243.310 1.702 10 0 BDAERO CC[C@H](C)c1noc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000104213379 171415788 /nfs/dbraw/zinc/41/57/88/171415788.db2.gz IVCLBXVSCWUGRW-UWVGGRQHSA-N 1 0 238.335 1.549 10 0 BDAERO CC[C@H](NC(=O)C[C@@H](C)[NH3+])c1ccccc1 ZINC000051628627 171498917 /nfs/dbraw/zinc/49/89/17/171498917.db2.gz OCWNIKKGLBEVDG-PWSUYJOCSA-N 1 0 220.316 1.991 10 0 BDAERO C[C@]1(CNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1(F)F ZINC000662665383 412263358 /nfs/dbraw/zinc/26/33/58/412263358.db2.gz INAIPWCCERLPHC-GHMZBOCLSA-N 1 0 246.301 1.680 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000662665659 412264394 /nfs/dbraw/zinc/26/43/94/412264394.db2.gz HQNPEQPRHAYDRC-AXFHLTTASA-N 1 0 228.336 1.188 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC[C@H](CCF)C1 ZINC000662689746 412272083 /nfs/dbraw/zinc/27/20/83/412272083.db2.gz XEACIHJDKUCGRX-GHMZBOCLSA-N 1 0 228.311 1.194 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC[C@@H](C2CCC2)C1 ZINC000662711911 412280027 /nfs/dbraw/zinc/28/00/27/412280027.db2.gz CMSJJWOWSSZVGQ-CHWSQXEVSA-N 1 0 236.359 1.635 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC3(CC3)C2)C[C@H]1[NH3+] ZINC000662571934 412224924 /nfs/dbraw/zinc/22/49/24/412224924.db2.gz TXELHMYPJNIMJA-IJLUTSLNSA-N 1 0 236.359 1.762 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)c1ccccn1 ZINC000662605415 412237455 /nfs/dbraw/zinc/23/74/55/412237455.db2.gz KVNLXOPLBRYWFF-GMXVVIOVSA-N 1 0 249.358 1.675 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)c1ccccn1 ZINC000662605669 412237673 /nfs/dbraw/zinc/23/76/73/412237673.db2.gz MTAAYSRPOKUTHX-MNOVXSKESA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H]1CN(c2cnns2)[C@H](C)C[NH2+]1 ZINC000083347095 171666494 /nfs/dbraw/zinc/66/64/94/171666494.db2.gz JXMJZGQPGXXTSG-SFYZADRCSA-N 1 0 212.322 1.115 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662905615 412340902 /nfs/dbraw/zinc/34/09/02/412340902.db2.gz DKMYTSGUTWGVEI-SNVBAGLBSA-N 1 0 210.321 1.563 10 0 BDAERO CC[C@](C)([NH3+])c1noc([C@H]2CCCCO2)n1 ZINC000050973571 171696657 /nfs/dbraw/zinc/69/66/57/171696657.db2.gz BCGZAOWTBCCION-KCJUWKMLSA-N 1 0 225.292 1.895 10 0 BDAERO CCCOc1nccnc1NC1CC[NH2+]CC1 ZINC000630554409 412358433 /nfs/dbraw/zinc/35/84/33/412358433.db2.gz ZRHCXILLPWCBLJ-UHFFFAOYSA-N 1 0 236.319 1.429 10 0 BDAERO CCCOc1nccnc1N[C@H](C)[C@H](C)[NH3+] ZINC000630518177 412360137 /nfs/dbraw/zinc/36/01/37/412360137.db2.gz RMIVKRFNRVXGIP-DTWKUNHWSA-N 1 0 224.308 1.413 10 0 BDAERO CC(C)CCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662976912 412362082 /nfs/dbraw/zinc/36/20/82/412362082.db2.gz HVNKUUVEBQNTQV-QMMMGPOBSA-N 1 0 240.269 1.771 10 0 BDAERO CN(C(=O)[C@H]1CC12CC2)[C@H](C[NH3+])C(F)(F)F ZINC000662985860 412362861 /nfs/dbraw/zinc/36/28/61/412362861.db2.gz CIVINFKIBKOTFJ-RNFRBKRXSA-N 1 0 236.237 1.135 10 0 BDAERO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000132960053 412376462 /nfs/dbraw/zinc/37/64/62/412376462.db2.gz ZWLXSMZKMXCNFZ-QWRGUYRKSA-N 1 0 224.348 1.538 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)CCS1 ZINC000132988475 412384786 /nfs/dbraw/zinc/38/47/86/412384786.db2.gz TXRXUBNUECNINH-GHMZBOCLSA-N 1 0 244.404 1.714 10 0 BDAERO CCCc1nccnc1NC[C@H](C)C[NH3+] ZINC000663272984 412404660 /nfs/dbraw/zinc/40/46/60/412404660.db2.gz UDUUCPAOAKURFW-SECBINFHSA-N 1 0 208.309 1.436 10 0 BDAERO CCCc1nccnc1N[C@@H](C)CC[NH3+] ZINC000663272931 412404681 /nfs/dbraw/zinc/40/46/81/412404681.db2.gz SUNUNDAPNYJAHB-VIFPVBQESA-N 1 0 208.309 1.578 10 0 BDAERO CC(C)[C@H]([NH3+])CCNc1ccncc1Cl ZINC000663275659 412405624 /nfs/dbraw/zinc/40/56/24/412405624.db2.gz AZMDJJPKQHXSTN-SNVBAGLBSA-N 1 0 227.739 1.942 10 0 BDAERO CCc1ccccc1OCCO[C@@H](C)C[NH3+] ZINC000074527796 171891036 /nfs/dbraw/zinc/89/10/36/171891036.db2.gz WSSQNSNKVRVQIV-NSHDSACASA-N 1 0 223.316 1.992 10 0 BDAERO CCc1ccsc1C(=O)NC1CC([NH3+])C1 ZINC000042411197 171906584 /nfs/dbraw/zinc/90/65/84/171906584.db2.gz GRRQPGMMLAVWET-UHFFFAOYSA-N 1 0 224.329 1.530 10 0 BDAERO CCc1nc(N2CCCC2)[nH+]c(NN)c1C ZINC000057331542 171997760 /nfs/dbraw/zinc/99/77/60/171997760.db2.gz XHSQFMVGGSUWSB-UHFFFAOYSA-N 1 0 221.308 1.233 10 0 BDAERO CCc1nc2ccccc2n1[C@@H]1C[NH2+]C[C@H]1O ZINC000104253807 172013482 /nfs/dbraw/zinc/01/34/82/172013482.db2.gz UOBXQDYDTMLYJE-VXGBXAGGSA-N 1 0 231.299 1.104 10 0 BDAERO CCc1nsc(N2CC[C@@H](C)C[C@@H]2C[NH3+])n1 ZINC000234168792 172104093 /nfs/dbraw/zinc/10/40/93/172104093.db2.gz ZBFROFDEZBDJQI-RKDXNWHRSA-N 1 0 240.376 1.664 10 0 BDAERO CCn1c(C)nnc1-c1ccc(C[NH3+])cc1 ZINC000042029879 172138325 /nfs/dbraw/zinc/13/83/25/172138325.db2.gz VFZHIWQMTPPDTM-UHFFFAOYSA-N 1 0 216.288 1.732 10 0 BDAERO CCn1c(C)nnc1[C@H]1CCC[C@H]([NH3+])C1 ZINC000070501958 172142552 /nfs/dbraw/zinc/14/25/52/172142552.db2.gz FDWDBJPIVLTFHG-UWVGGRQHSA-N 1 0 208.309 1.591 10 0 BDAERO CCn1cc(-c2c[nH]c([C@@H](C)[NH3+])n2)cn1 ZINC000044496907 172149114 /nfs/dbraw/zinc/14/91/14/172149114.db2.gz HHBAPGJYMJMSAK-SSDOTTSWSA-N 1 0 205.265 1.313 10 0 BDAERO CCn1cc(COc2ccccc2C[NH3+])cn1 ZINC000020352388 172176658 /nfs/dbraw/zinc/17/66/58/172176658.db2.gz WSZYLVUJSWRHEA-UHFFFAOYSA-N 1 0 231.299 1.941 10 0 BDAERO CCn1cc(C[C@H](Cc2ccccn2)[NH2+]C)cn1 ZINC000050542776 172176717 /nfs/dbraw/zinc/17/67/17/172176717.db2.gz LTFQVEMBPVYKIM-CQSZACIVSA-N 1 0 244.342 1.671 10 0 BDAERO CCn1cc([C@H]([NH3+])c2ccncc2)cn1 ZINC000043469153 172199739 /nfs/dbraw/zinc/19/97/39/172199739.db2.gz NDSJHHVAISCHON-LLVKDONJSA-N 1 0 202.261 1.346 10 0 BDAERO CCn1cccc1CNCCC[NH+](C)C ZINC000085608425 172207549 /nfs/dbraw/zinc/20/75/49/172207549.db2.gz YJKKFCBOXNVFTN-UHFFFAOYSA-N 1 0 209.337 1.549 10 0 BDAERO CCn1ccnc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000344576830 172224301 /nfs/dbraw/zinc/22/43/01/172224301.db2.gz COZHQZVMJSZTHP-RTXFEEFZSA-N 1 0 249.358 1.806 10 0 BDAERO CCn1cnnc1C1([NH3+])CCC(C)CC1 ZINC000054497764 172233551 /nfs/dbraw/zinc/23/35/51/172233551.db2.gz SSGNPSHSGUXJAG-UHFFFAOYSA-N 1 0 208.309 1.662 10 0 BDAERO CCn1cnnc1[C@]1([NH3+])CCC[C@H](C)C1 ZINC000054497765 172239844 /nfs/dbraw/zinc/23/98/44/172239844.db2.gz NJKUEBYKWQCVOD-ONGXEEELSA-N 1 0 208.309 1.662 10 0 BDAERO CCn1nccc1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000301907685 172267020 /nfs/dbraw/zinc/26/70/20/172267020.db2.gz SSEFTMCFSYCMDO-GFCCVEGCSA-N 1 0 248.374 1.619 10 0 BDAERO CCn1nnc(C2=CCC[N@@H+](C(C)C)C2)n1 ZINC000013739804 172286453 /nfs/dbraw/zinc/28/64/53/172286453.db2.gz RQAOVOFARPHOBF-UHFFFAOYSA-N 1 0 221.308 1.191 10 0 BDAERO CN(C(=O)C1CC[NH2+]CC1)c1ccccn1 ZINC000019814196 172299717 /nfs/dbraw/zinc/29/97/17/172299717.db2.gz BXLIWISYOHOAEV-UHFFFAOYSA-N 1 0 219.288 1.044 10 0 BDAERO CN(C(=O)NC(C)(C)C)C1CC[NH2+]CC1 ZINC000036283659 172318615 /nfs/dbraw/zinc/31/86/15/172318615.db2.gz UJMUTMROBBCLJW-UHFFFAOYSA-N 1 0 213.325 1.178 10 0 BDAERO CN(C(=O)OC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000096347004 172324270 /nfs/dbraw/zinc/32/42/70/172324270.db2.gz CZEFCWCHRRLWDE-VIFPVBQESA-N 1 0 242.319 1.474 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])[C@H]1CCSC1 ZINC000250433120 172327996 /nfs/dbraw/zinc/32/79/96/172327996.db2.gz RMFTZKHYLDJILV-IVZWLZJFSA-N 1 0 228.361 1.078 10 0 BDAERO CN(C(=O)c1cccc(CC[NH3+])c1)C1CC1 ZINC000053661974 172341656 /nfs/dbraw/zinc/34/16/56/172341656.db2.gz CBXHKASHWCXQQR-UHFFFAOYSA-N 1 0 218.300 1.422 10 0 BDAERO CN(C)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336779381 172360308 /nfs/dbraw/zinc/36/03/08/172360308.db2.gz OCHQEWHJVOQNTC-GHMZBOCLSA-N 1 0 230.327 1.583 10 0 BDAERO CN(C)C(=O)CC[NH2+]CCc1ccccc1F ZINC000037897826 172360794 /nfs/dbraw/zinc/36/07/94/172360794.db2.gz BSOSEPTXZYHMDO-UHFFFAOYSA-N 1 0 238.306 1.436 10 0 BDAERO CN(C)C(=O)CCOc1ccccc1CC[NH3+] ZINC000037898289 172361901 /nfs/dbraw/zinc/36/19/01/172361901.db2.gz ZYVQWFWSNGFACI-UHFFFAOYSA-N 1 0 236.315 1.045 10 0 BDAERO CN(C)C(=O)Cn1cc(CC[NH3+])c2ccccc21 ZINC000062950691 172375269 /nfs/dbraw/zinc/37/52/69/172375269.db2.gz JCZHWGPIISWDRO-UHFFFAOYSA-N 1 0 245.326 1.231 10 0 BDAERO C[NH+](C)CCCC(=O)Nc1ccc(F)cc1N ZINC000019259745 172427473 /nfs/dbraw/zinc/42/74/73/172427473.db2.gz XZRCJWGGRYCCBV-UHFFFAOYSA-N 1 0 239.294 1.688 10 0 BDAERO C[NH+](C)CCCC(=O)Nc1cccc(N)c1 ZINC000019258529 172428254 /nfs/dbraw/zinc/42/82/54/172428254.db2.gz LKFOYJVZWPLROL-UHFFFAOYSA-N 1 0 221.304 1.549 10 0 BDAERO CN(C[C@@H]1CCCO1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291288 172810941 /nfs/dbraw/zinc/81/09/41/172810941.db2.gz YLKRQAWVLCPOBL-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)c1ccc(Cl)nn1 ZINC000095070913 172828795 /nfs/dbraw/zinc/82/87/95/172828795.db2.gz NXBVFSDRVSFBMB-MRVPVSSYSA-N 1 0 226.711 1.318 10 0 BDAERO CN(C[C@H]1CCOC1)c1cccc(C[NH3+])c1 ZINC000061951745 172834618 /nfs/dbraw/zinc/83/46/18/172834618.db2.gz IAJUFKICEBJLPZ-GFCCVEGCSA-N 1 0 220.316 1.618 10 0 BDAERO C[NH+]1CCC(Oc2ccc(F)cc2N)CC1 ZINC000020352139 173000512 /nfs/dbraw/zinc/00/05/12/173000512.db2.gz VYFARIXFBKAWTQ-UHFFFAOYSA-N 1 0 224.279 1.881 10 0 BDAERO C[NH+]1CCC(n2nccc2Br)CC1 ZINC000096985863 173001121 /nfs/dbraw/zinc/00/11/21/173001121.db2.gz YWDDRXCJXBWHSP-UHFFFAOYSA-N 1 0 244.136 1.912 10 0 BDAERO CN(C)c1cncc(C2CC[NH+](C)CC2)n1 ZINC000072187752 173002047 /nfs/dbraw/zinc/00/20/47/173002047.db2.gz FVSXBNSPNLETJR-UHFFFAOYSA-N 1 0 220.320 1.352 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]CCCOCC1CC1 ZINC000054240397 173010184 /nfs/dbraw/zinc/01/01/84/173010184.db2.gz OIWXADILVJVRCI-AWEZNQCLSA-N 1 0 240.391 1.877 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]C1(CO)CCCC1 ZINC000054243954 173010717 /nfs/dbraw/zinc/01/07/17/173010717.db2.gz GZWYZKCGESGAKX-LBPRGKRZSA-N 1 0 226.364 1.365 10 0 BDAERO CN1CCC[NH+]=C1C[C@@H](O)c1ccccc1 ZINC000039110001 173018690 /nfs/dbraw/zinc/01/86/90/173018690.db2.gz ZOTCOUQNDSQAOF-GFCCVEGCSA-N 1 0 218.300 1.844 10 0 BDAERO Cn1ccc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000054242778 173041489 /nfs/dbraw/zinc/04/14/89/173041489.db2.gz UHDVAENTERHNFV-SNVBAGLBSA-N 1 0 208.309 1.174 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ccc3oc(=O)[nH]c3c2)C1 ZINC000076691654 173046672 /nfs/dbraw/zinc/04/66/72/173046672.db2.gz JQBMWJCUBVNOOD-JTQLQIEISA-N 1 0 247.298 1.627 10 0 BDAERO C[N@@H+]1CCC[C@H](c2[nH]nc3ncccc32)C1 ZINC000072381228 173048268 /nfs/dbraw/zinc/04/82/68/173048268.db2.gz HGJJWECDJYGXJJ-VIFPVBQESA-N 1 0 216.288 1.767 10 0 BDAERO C[N@@H+]1CCC[C@H]1CCOc1ncccc1N ZINC000041043124 173052185 /nfs/dbraw/zinc/05/21/85/173052185.db2.gz GELVTKYPAPLRMQ-JTQLQIEISA-N 1 0 221.304 1.527 10 0 BDAERO C[N@@H+]1CCC[C@H]1COc1cncc(F)c1 ZINC000026572223 173055773 /nfs/dbraw/zinc/05/57/73/173055773.db2.gz YERZGGTVVVJFNB-JTQLQIEISA-N 1 0 210.252 1.694 10 0 BDAERO CN1CCN(Cc2cccc(C[NH3+])c2)C1=O ZINC000052885474 173088696 /nfs/dbraw/zinc/08/86/96/173088696.db2.gz BBZIIVVYFZWCSM-UHFFFAOYSA-N 1 0 219.288 1.013 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000091667276 173109108 /nfs/dbraw/zinc/10/91/08/173109108.db2.gz NUHQTFFIXOKKCO-UKRRQHHQSA-N 1 0 246.354 1.594 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(C)(C)C ZINC000112826897 173111507 /nfs/dbraw/zinc/11/15/07/173111507.db2.gz GCLJUNAICLIEMV-SNVBAGLBSA-N 1 0 212.337 1.443 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2ccc(N)cc2F)C1 ZINC000037484560 173117006 /nfs/dbraw/zinc/11/70/06/173117006.db2.gz YAJITHHNVAGEKA-VIFPVBQESA-N 1 0 223.295 1.772 10 0 BDAERO C[N@@H+]1CC[C@@H](Cn2cnc3cc(N)ccc32)C1 ZINC000052853031 173117967 /nfs/dbraw/zinc/11/79/67/173117967.db2.gz NMSTYDLECKXUDM-SNVBAGLBSA-N 1 0 230.315 1.570 10 0 BDAERO C[N@@H+]1CC[C@@H](NCc2nccn2C(F)F)C1 ZINC000042547293 173124133 /nfs/dbraw/zinc/12/41/33/173124133.db2.gz NZMCNPUSQUIBTB-MRVPVSSYSA-N 1 0 230.262 1.072 10 0 BDAERO CN1CC[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)C1 ZINC000043488529 173124376 /nfs/dbraw/zinc/12/43/76/173124376.db2.gz PWRGNPIUHIDFTG-SNVBAGLBSA-N 1 0 240.734 1.839 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cc(Cl)ncn2)C1 ZINC000042550018 173125423 /nfs/dbraw/zinc/12/54/23/173125423.db2.gz LCNQYEARTTVUTA-SSDOTTSWSA-N 1 0 212.684 1.246 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cccc(F)c2N)C1 ZINC000042545078 173125737 /nfs/dbraw/zinc/12/57/37/173125737.db2.gz VNIMMVLPPLWANQ-MRVPVSSYSA-N 1 0 209.268 1.524 10 0 BDAERO C[N@@H+]1CC[C@@]2(CCCN2c2cncnc2)C1 ZINC000090504967 173138804 /nfs/dbraw/zinc/13/88/04/173138804.db2.gz RIXKBENZAAKEKO-LBPRGKRZSA-N 1 0 218.304 1.151 10 0 BDAERO Cn1c(Cl)cnc1CNC[C@H]1CC[N@H+](C)C1 ZINC000037485043 173147044 /nfs/dbraw/zinc/14/70/44/173147044.db2.gz KITNGDPWEDUUMZ-SECBINFHSA-N 1 0 242.754 1.115 10 0 BDAERO C[N@@H+]1CC[C@H](CNCc2cccc3c2OCO3)C1 ZINC000037646642 173147932 /nfs/dbraw/zinc/14/79/32/173147932.db2.gz JVFVGEYRKNZGKL-LLVKDONJSA-N 1 0 248.326 1.457 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc(N)c3cnccc23)C1 ZINC000042545008 173155058 /nfs/dbraw/zinc/15/50/58/173155058.db2.gz HUQGHHJDNBMUTD-JTQLQIEISA-N 1 0 242.326 1.933 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc3ncccc3c2N)C1 ZINC000042545072 173155640 /nfs/dbraw/zinc/15/56/40/173155640.db2.gz SCIQXHANTUAVKT-JTQLQIEISA-N 1 0 242.326 1.933 10 0 BDAERO CN1CC[C@](CO)([NH2+]C2CCCCCC2)C1 ZINC000061992199 173163055 /nfs/dbraw/zinc/16/30/55/173163055.db2.gz KWRUFGQTEGLVRS-ZDUSSCGKSA-N 1 0 226.364 1.365 10 0 BDAERO C[N@@H+]1CC[C@]2(CC(=O)NC2=O)[C@@H]1c1ccccc1 ZINC000095828909 173164136 /nfs/dbraw/zinc/16/41/36/173164136.db2.gz LKIWSDNHKKUEMY-JSGCOSHPSA-N 1 0 244.294 1.096 10 0 BDAERO CN1CCc2cc(C[C@H]3CCC[NH2+]3)ccc21 ZINC000074361834 173170848 /nfs/dbraw/zinc/17/08/48/173170848.db2.gz ITEWPPXREWRRDB-CYBMUJFWSA-N 1 0 216.328 1.973 10 0 BDAERO CN1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059495 173174680 /nfs/dbraw/zinc/17/46/80/173174680.db2.gz QZOBGDSTFFIDKH-UHFFFAOYSA-N 1 0 211.334 1.325 10 0 BDAERO CN1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)CC1=O ZINC000309979574 173196509 /nfs/dbraw/zinc/19/65/09/173196509.db2.gz VNTLDRDDPQBEHR-MXWKQRLJSA-N 1 0 228.311 1.335 10 0 BDAERO CN1CC[C@H](Nc2ccc3c(c2)C[N@@H+](C)C3)C1=O ZINC000116389467 173202898 /nfs/dbraw/zinc/20/28/98/173202898.db2.gz HFQWTCZOBAFLBY-ZDUSSCGKSA-N 1 0 245.326 1.275 10 0 BDAERO CNC(=O)CCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309545532 173243677 /nfs/dbraw/zinc/24/36/77/173243677.db2.gz GVNSNURIAYGBQK-MNOVXSKESA-N 1 0 230.327 1.631 10 0 BDAERO CNC(=O)CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000044989421 173260583 /nfs/dbraw/zinc/26/05/83/173260583.db2.gz BYFHHWSYPRKSRV-LLVKDONJSA-N 1 0 234.299 1.105 10 0 BDAERO CNC(=O)CC[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000076635853 173262847 /nfs/dbraw/zinc/26/28/47/173262847.db2.gz PRVBIJDAIYUFIU-LBPRGKRZSA-N 1 0 249.358 1.321 10 0 BDAERO CNC(=O)C[N@H+](C)[C@@H](C)c1ccc(N)cc1 ZINC000040908814 173270767 /nfs/dbraw/zinc/27/07/67/173270767.db2.gz JNKANCRXSSOMHL-VIFPVBQESA-N 1 0 221.304 1.008 10 0 BDAERO CNC(=O)[C@@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000020419738 173296165 /nfs/dbraw/zinc/29/61/65/173296165.db2.gz HJSFYMFBCRXQHG-RKDXNWHRSA-N 1 0 222.288 1.220 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042862208 173302337 /nfs/dbraw/zinc/30/23/37/173302337.db2.gz ZDVCFQYUWZUTAQ-GARJFASQSA-N 1 0 212.337 1.537 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000084342349 173302732 /nfs/dbraw/zinc/30/27/32/173302732.db2.gz ZJLOAUYTLSKNFS-VWYCJHECSA-N 1 0 212.337 1.537 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccccn1 ZINC000061300484 173317341 /nfs/dbraw/zinc/31/73/41/173317341.db2.gz DBEKKXFAXYSANY-UHFFFAOYSA-N 1 0 221.304 1.038 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(C)o1 ZINC000061300429 173318006 /nfs/dbraw/zinc/31/80/06/173318006.db2.gz MKSYYAKYGZSJAQ-UHFFFAOYSA-N 1 0 224.304 1.544 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000061300775 173318762 /nfs/dbraw/zinc/31/87/62/173318762.db2.gz JWBOXKSEKBJNRC-VIFPVBQESA-N 1 0 224.304 1.763 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(F)c1 ZINC000061300191 173319261 /nfs/dbraw/zinc/31/92/61/173319261.db2.gz PJXOTIOMEXHLSI-UHFFFAOYSA-N 1 0 210.252 1.762 10 0 BDAERO C[NH2+]C1(C(N)=O)CCC(C(C)(C)C)CC1 ZINC000037869783 173321125 /nfs/dbraw/zinc/32/11/25/173321125.db2.gz SJZVHCSMMWTVIP-UHFFFAOYSA-N 1 0 212.337 1.666 10 0 BDAERO C[NH2+]C1CCC(NC(=O)[C@H]2C[C@H]2C)CC1 ZINC000036880501 173321990 /nfs/dbraw/zinc/32/19/90/173321990.db2.gz RUDRJBSOTRHNKF-SFXRXQKFSA-N 1 0 210.321 1.289 10 0 BDAERO C[NH2+]CC(=O)NCCCc1cccc(C)c1 ZINC000077331308 173328853 /nfs/dbraw/zinc/32/88/53/173328853.db2.gz INDKHSUTHUHXGF-UHFFFAOYSA-N 1 0 220.316 1.263 10 0 BDAERO C[NH2+]CC(=O)NCCCc1cc(C)c(C)cc1C ZINC000077424696 173329072 /nfs/dbraw/zinc/32/90/72/173329072.db2.gz QLUDXSHTVCGKQQ-UHFFFAOYSA-N 1 0 248.370 1.880 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007705 173331875 /nfs/dbraw/zinc/33/18/75/173331875.db2.gz PKULZELJMDYWGU-ZETCQYMHSA-N 1 0 228.242 1.361 10 0 BDAERO C[NH2+]CC(=O)c1cccc2c1OCCC2 ZINC000082930007 173335774 /nfs/dbraw/zinc/33/57/74/173335774.db2.gz UNCLAOOCEIQOQF-UHFFFAOYSA-N 1 0 205.257 1.414 10 0 BDAERO C[NH2+]CC1CCN(c2ncnc3c2CCC3)CC1 ZINC000061278197 173338343 /nfs/dbraw/zinc/33/83/43/173338343.db2.gz CVTUQXUTJKQMTE-UHFFFAOYSA-N 1 0 246.358 1.401 10 0 BDAERO C[NH2+]CCC(=O)OCc1cn(C)c2ccccc12 ZINC000077402129 173341898 /nfs/dbraw/zinc/34/18/98/173341898.db2.gz IERPLLCBKCOBPJ-UHFFFAOYSA-N 1 0 246.310 1.831 10 0 BDAERO C[NH2+]CCC(=O)c1ccc2c(c1)CCO2 ZINC000083256344 173342282 /nfs/dbraw/zinc/34/22/82/173342282.db2.gz LDPZOJSXNWYUBD-UHFFFAOYSA-N 1 0 205.257 1.414 10 0 BDAERO C[NH2+]CCC(=O)c1ccc2c(c1)OCCO2 ZINC000049818173 173342521 /nfs/dbraw/zinc/34/25/21/173342521.db2.gz NJKJBPXXRRXQLP-UHFFFAOYSA-N 1 0 221.256 1.250 10 0 BDAERO C[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000019785250 173350432 /nfs/dbraw/zinc/35/04/32/173350432.db2.gz ORKJADSHTXUMDI-UHFFFAOYSA-N 1 0 207.273 1.610 10 0 BDAERO C[NH2+]CCN(C)C(=O)C[C@@H](C)C(C)C ZINC000237289211 173351407 /nfs/dbraw/zinc/35/14/07/173351407.db2.gz KAMOZSGUXPGADR-SNVBAGLBSA-N 1 0 200.326 1.346 10 0 BDAERO C[NH2+]CCN(C)CCc1cc(C)[nH]c1C ZINC000077303676 173353218 /nfs/dbraw/zinc/35/32/18/173353218.db2.gz WSVXASWICZAURC-UHFFFAOYSA-N 1 0 209.337 1.325 10 0 BDAERO C[NH2+]CCOCCc1cn(C)c2ccccc12 ZINC000077364510 173356575 /nfs/dbraw/zinc/35/65/75/173356575.db2.gz DTASRSSCSNUTGV-UHFFFAOYSA-N 1 0 232.327 1.957 10 0 BDAERO C[NH2+]CCOc1ccc2ccccc2n1 ZINC000051866823 173357743 /nfs/dbraw/zinc/35/77/43/173357743.db2.gz DTZVRHFDFUDZSB-UHFFFAOYSA-N 1 0 202.257 1.833 10 0 BDAERO C[NH2+]CCS(=O)(=O)c1cc(C)ccc1C ZINC000070223622 173357887 /nfs/dbraw/zinc/35/78/87/173357887.db2.gz IQEZIWJXRGWISL-UHFFFAOYSA-N 1 0 227.329 1.297 10 0 BDAERO C[NH2+]CC[C@@H]1CN(CCc2ccccc2)C(=O)O1 ZINC000077422827 173358161 /nfs/dbraw/zinc/35/81/61/173358161.db2.gz NJEIYIMVDBOIRF-CYBMUJFWSA-N 1 0 248.326 1.659 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1ccccc1F ZINC000077340118 173358331 /nfs/dbraw/zinc/35/83/31/173358331.db2.gz DVOLBVCHNRARIS-SNVBAGLBSA-N 1 0 226.295 1.232 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1cc(C)ccc1C ZINC000077373164 173358410 /nfs/dbraw/zinc/35/84/10/173358410.db2.gz ZKGSRIKWJVPUFS-CYBMUJFWSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1ccccc1 ZINC000077302206 173358462 /nfs/dbraw/zinc/35/84/62/173358462.db2.gz QCHWNZACTXSOSY-GFCCVEGCSA-N 1 0 208.305 1.093 10 0 BDAERO C[NH2+]CC[C@H]1CN(CCC(C)C)C(=O)O1 ZINC000077306595 173358956 /nfs/dbraw/zinc/35/89/56/173358956.db2.gz IQCKPRLPEBLVSJ-JTQLQIEISA-N 1 0 214.309 1.463 10 0 BDAERO C[NH2+]CC[C@H](O)c1ccc(OC)cc1OC ZINC000049820067 173359129 /nfs/dbraw/zinc/35/91/29/173359129.db2.gz GHMJYWTZJPYMIE-NSHDSACASA-N 1 0 225.288 1.347 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1ccccc1F ZINC000077340114 173359191 /nfs/dbraw/zinc/35/91/91/173359191.db2.gz DVOLBVCHNRARIS-JTQLQIEISA-N 1 0 226.295 1.232 10 0 BDAERO C[NH2+]CCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000019734005 173361024 /nfs/dbraw/zinc/36/10/24/173361024.db2.gz KOOMURATWKHVOM-UHFFFAOYSA-N 1 0 235.287 1.342 10 0 BDAERO C[NH2+]CCc1noc(-c2cc(F)cc(F)c2)n1 ZINC000051850710 173361918 /nfs/dbraw/zinc/36/19/18/173361918.db2.gz XQFDDKVQEICNDF-UHFFFAOYSA-N 1 0 239.225 1.777 10 0 BDAERO C[NH2+]CCn1cnc2cc(C)c(C)cc21 ZINC000042410075 173361958 /nfs/dbraw/zinc/36/19/58/173361958.db2.gz NEBZSYZICRDKQC-UHFFFAOYSA-N 1 0 203.289 1.873 10 0 BDAERO C[NH2+]CCc1noc(C[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000051850617 173362165 /nfs/dbraw/zinc/36/21/65/173362165.db2.gz BBFNIYOQBQRGGM-AXFHLTTASA-N 1 0 235.331 1.810 10 0 BDAERO C[NH2+]C[C@@H](C)CN1Cc2ccccc2C1 ZINC000052374279 173364116 /nfs/dbraw/zinc/36/41/16/173364116.db2.gz KEJWYBAIAGCGJW-LLVKDONJSA-N 1 0 204.317 1.858 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ccc(Br)cn1 ZINC000051867593 173364770 /nfs/dbraw/zinc/36/47/70/173364770.db2.gz AEWKPVTXKBNIQN-SSDOTTSWSA-N 1 0 245.120 1.831 10 0 BDAERO C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000011593825 173364928 /nfs/dbraw/zinc/36/49/28/173364928.db2.gz PPPWGYOTGNISTC-SECBINFHSA-N 1 0 216.325 1.755 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc2cc(F)ccc2o1 ZINC000082947607 173365394 /nfs/dbraw/zinc/36/53/94/173365394.db2.gz UJYTYVSUHPKXAG-SECBINFHSA-N 1 0 209.220 1.825 10 0 BDAERO C[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000032014566 173365502 /nfs/dbraw/zinc/36/55/02/173365502.db2.gz VELODXNLSZKPBP-GFCCVEGCSA-N 1 0 223.316 1.571 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1ccc(F)c(F)c1 ZINC000071508146 173365597 /nfs/dbraw/zinc/36/55/97/173365597.db2.gz QOMBNXIYGIKNIJ-QMMMGPOBSA-N 1 0 201.216 1.088 10 0 BDAERO C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1C ZINC000019864735 173365857 /nfs/dbraw/zinc/36/58/57/173365857.db2.gz BEKLGKUXXPFJTC-SNVBAGLBSA-N 1 0 229.707 1.608 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(O)cc1Cl ZINC000082915004 173366326 /nfs/dbraw/zinc/36/63/26/173366326.db2.gz ZFMIMCPCSVMLPU-SECBINFHSA-N 1 0 201.653 1.298 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1nccc(C)n1 ZINC000061860028 173366952 /nfs/dbraw/zinc/36/69/52/173366952.db2.gz LAMRSKFMXDGTJY-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO C[NH2+]C[C@@H](c1ccc(OC)cc1)N(C)C ZINC000039978694 173367083 /nfs/dbraw/zinc/36/70/83/173367083.db2.gz GSXRAAGNPYEIRV-LBPRGKRZSA-N 1 0 208.305 1.517 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1ccnc2cccnc21 ZINC000341009653 173369830 /nfs/dbraw/zinc/36/98/30/173369830.db2.gz BTRVJDKVQIGSBT-NSHDSACASA-N 1 0 242.326 1.818 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ccc(OC)nc2)C1 ZINC000053012212 173371213 /nfs/dbraw/zinc/37/12/13/173371213.db2.gz LTIJINUMAVFAHR-JTQLQIEISA-N 1 0 221.304 1.136 10 0 BDAERO C[NH2+]C[C@@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000071548812 173371532 /nfs/dbraw/zinc/37/15/32/173371532.db2.gz OTUWDMURHPLPMU-CYBMUJFWSA-N 1 0 238.306 1.246 10 0 BDAERO C[NH2+]C[C@@H]1CN(CCCc2ccccc2)CCO1 ZINC000071563502 173371667 /nfs/dbraw/zinc/37/16/67/173371667.db2.gz QSYLRYJSYGROHN-OAHLLOKOSA-N 1 0 248.370 1.539 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2ccc(C)cc2)C(=O)O1 ZINC000077330572 173371930 /nfs/dbraw/zinc/37/19/30/173371930.db2.gz DVVQMRYNKHQGOE-LLVKDONJSA-N 1 0 220.272 1.540 10 0 BDAERO C[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000052382865 173376002 /nfs/dbraw/zinc/37/60/02/173376002.db2.gz NFQGVYGVZIYPDA-VIFPVBQESA-N 1 0 210.346 1.714 10 0 BDAERO C[NH2+]C[C@H](C)OCC(=O)Nc1ccc(C)cc1 ZINC000051842432 173376316 /nfs/dbraw/zinc/37/63/16/173376316.db2.gz GXEVLBIRZGMLMI-NSHDSACASA-N 1 0 236.315 1.558 10 0 BDAERO C[NH2+]C[C@H](O)CSCc1ccccc1 ZINC000019865107 173376676 /nfs/dbraw/zinc/37/66/76/173376676.db2.gz JNCWGIDWWMPKQZ-NSHDSACASA-N 1 0 211.330 1.500 10 0 BDAERO C[NH2+]C[C@H]1CN(c2ccc(OC)cc2)C(=O)O1 ZINC000013833922 173382625 /nfs/dbraw/zinc/38/26/25/173382625.db2.gz DIVZDYOUEVZOMJ-NSHDSACASA-N 1 0 236.271 1.240 10 0 BDAERO C[NH2+]C[C@H]1CN(Cc2ccccc2C)CCO1 ZINC000071544578 173382824 /nfs/dbraw/zinc/38/28/24/173382824.db2.gz QRXJMPOTOOLAFQ-AWEZNQCLSA-N 1 0 234.343 1.415 10 0 BDAERO C[NH2+]Cc1c(C)nc(-c2ccccn2)nc1C ZINC000054854046 173383803 /nfs/dbraw/zinc/38/38/03/173383803.db2.gz HOZIISUSWGUMKR-UHFFFAOYSA-N 1 0 228.299 1.875 10 0 BDAERO C[NH2+]Cc1c(C)nn([C@H]2CCC[C@H]2O)c1C ZINC000054599498 173384789 /nfs/dbraw/zinc/38/47/89/173384789.db2.gz YMXJENCOAZDYSP-NWDGAFQWSA-N 1 0 223.320 1.305 10 0 BDAERO C[NH2+]Cc1c(N(C)C(C)C)nc2sccn12 ZINC000035429823 173385259 /nfs/dbraw/zinc/38/52/59/173385259.db2.gz GOPCJVMDXASVHY-UHFFFAOYSA-N 1 0 238.360 1.960 10 0 BDAERO C[NH2+]Cc1c(N2CCCC2)nc2ccccn21 ZINC000035433853 173385417 /nfs/dbraw/zinc/38/54/17/173385417.db2.gz QXOZTBBHUNCWDO-UHFFFAOYSA-N 1 0 230.315 1.654 10 0 BDAERO CNC(=O)CCOc1ccc(C)cc1C[NH2+]C ZINC000071403574 173385811 /nfs/dbraw/zinc/38/58/11/173385811.db2.gz YETHTBARZWHFCJ-UHFFFAOYSA-N 1 0 236.315 1.229 10 0 BDAERO C[NH2+]Cc1cc(C)nc(Cc2ccncc2)n1 ZINC000054830996 173386045 /nfs/dbraw/zinc/38/60/45/173386045.db2.gz JTTNEMIHASXQAN-UHFFFAOYSA-N 1 0 228.299 1.490 10 0 BDAERO C[NH2+]Cc1cc(C)nc(C[C@H]2CCCO2)n1 ZINC000054830986 173386389 /nfs/dbraw/zinc/38/63/89/173386389.db2.gz WFWJMBRNNHSXBP-LLVKDONJSA-N 1 0 221.304 1.226 10 0 BDAERO C[NH2+]Cc1cc2ccc(OC)cc2n(C)c1=O ZINC000039288588 173387992 /nfs/dbraw/zinc/38/79/92/173387992.db2.gz UBYNCQFNCXUARL-UHFFFAOYSA-N 1 0 232.283 1.267 10 0 BDAERO C[NH2+]Cc1ccc(O[C@@H]2CCOC2)c(OC)c1 ZINC000070071557 173389142 /nfs/dbraw/zinc/38/91/42/173389142.db2.gz SVCAUYOOZJGRKJ-LLVKDONJSA-N 1 0 237.299 1.582 10 0 BDAERO C[NH2+]Cc1ccccc1O[C@@H]1CCC[C@@H]1O ZINC000037702408 173390457 /nfs/dbraw/zinc/39/04/57/173390457.db2.gz UAZZJMBTZHNSLG-WCQYABFASA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1ccoc1Cn1ccnc1C ZINC000052576065 173391218 /nfs/dbraw/zinc/39/12/18/173391218.db2.gz FHDAYQZUITYGQO-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+]Cc1ccnc(N2CC[C@@H](C)C2)c1 ZINC000051448325 173391467 /nfs/dbraw/zinc/39/14/67/173391467.db2.gz SDCPKBNKMORXKZ-SNVBAGLBSA-N 1 0 205.305 1.647 10 0 BDAERO C[NH2+]Cc1cnc(N2CCCOCC2)s1 ZINC000061936817 173392038 /nfs/dbraw/zinc/39/20/38/173392038.db2.gz BSBJWFJQCNDBBJ-UHFFFAOYSA-N 1 0 227.333 1.089 10 0 BDAERO C[NH2+]Cc1cnc(N2CCCCCC2)nc1 ZINC000054855464 173392598 /nfs/dbraw/zinc/39/25/98/173392598.db2.gz NQESZBRKOGVLNK-UHFFFAOYSA-N 1 0 220.320 1.576 10 0 BDAERO C[NH2+]Cc1coc(CN2CCO[C@@H](C)C2)c1 ZINC000052382577 173392819 /nfs/dbraw/zinc/39/28/19/173392819.db2.gz OFQKKWDXTIBBQK-JTQLQIEISA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000054719137 173393128 /nfs/dbraw/zinc/39/31/28/173393128.db2.gz HQPYJURTQCCMSO-UHFFFAOYSA-N 1 0 219.263 1.790 10 0 BDAERO C[NH2+]Cc1csc(Cc2cccnc2)n1 ZINC000053132523 173393749 /nfs/dbraw/zinc/39/37/49/173393749.db2.gz AUBWZXWEHWXSKH-UHFFFAOYSA-N 1 0 219.313 1.848 10 0 BDAERO C[NH2+]Cc1nc(CN2CCO[C@@H](C)C2)cs1 ZINC000052382162 173395029 /nfs/dbraw/zinc/39/50/29/173395029.db2.gz OIGMDKGLACRPJI-VIFPVBQESA-N 1 0 241.360 1.083 10 0 BDAERO C[NH2+]Cc1nc(CN2CCCC2)cs1 ZINC000052377255 173395569 /nfs/dbraw/zinc/39/55/69/173395569.db2.gz KVGYDODXDLGHNF-UHFFFAOYSA-N 1 0 211.334 1.458 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(OC)c(OC)c2)o1 ZINC000050615317 173397548 /nfs/dbraw/zinc/39/75/48/173397548.db2.gz ZFVVNUOSIFVZBD-UHFFFAOYSA-N 1 0 249.270 1.473 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(C)c(O)c2)o1 ZINC000050615472 173397616 /nfs/dbraw/zinc/39/76/16/173397616.db2.gz PLEPHRMIMJLGJH-UHFFFAOYSA-N 1 0 219.244 1.470 10 0 BDAERO C[NH2+]Cc1nc(-c2cccc(OC)c2)c[nH]1 ZINC000036877318 173398084 /nfs/dbraw/zinc/39/80/84/173398084.db2.gz VWKJNIYJYMMZPD-UHFFFAOYSA-N 1 0 217.272 1.805 10 0 BDAERO C[NH2+]Cc1nnnn1Cc1ccc(Cl)cc1 ZINC000054745161 173398290 /nfs/dbraw/zinc/39/82/90/173398290.db2.gz RAIZYAFODWVLDT-UHFFFAOYSA-N 1 0 237.694 1.094 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H]1CCC[C@H](C)C1 ZINC000054745229 173398667 /nfs/dbraw/zinc/39/86/67/173398667.db2.gz DECPRZHLHCSMKE-DTWKUNHWSA-N 1 0 209.297 1.144 10 0 BDAERO C[NH2+]Cc1nncn1-c1ccc(C)cc1 ZINC000061957997 173398688 /nfs/dbraw/zinc/39/86/88/173398688.db2.gz MUHSAVYQDKXRLU-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1oc(Cn2cc(C)cn2)cc1C ZINC000052577058 173399360 /nfs/dbraw/zinc/39/93/60/173399360.db2.gz BZHISBPYOSTAPJ-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+]Cc1occc1CN1CCSCC1 ZINC000052425563 173399497 /nfs/dbraw/zinc/39/94/97/173399497.db2.gz JYODPNRRQPJLEH-UHFFFAOYSA-N 1 0 226.345 1.548 10 0 BDAERO C[NH2+][C@@H](CO)COc1ccc(C)c(C)c1 ZINC000071511950 173423762 /nfs/dbraw/zinc/42/37/62/173423762.db2.gz ZGUQIXMVSLXXEU-NSHDSACASA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+][C@H](C)[C@H](C)N1Cc2ccccc2C1 ZINC000050911163 173447425 /nfs/dbraw/zinc/44/74/25/173447425.db2.gz RKZRCZSHOMOSDX-MNOVXSKESA-N 1 0 204.317 1.999 10 0 BDAERO C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000049900752 173452941 /nfs/dbraw/zinc/45/29/41/173452941.db2.gz WIXOBIZPQMANJD-CQSZACIVSA-N 1 0 234.343 1.588 10 0 BDAERO COC(=O)CC[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037630584 173566873 /nfs/dbraw/zinc/56/68/73/173566873.db2.gz PFZAFAPEXXHBDK-MXWKQRLJSA-N 1 0 211.305 1.860 10 0 BDAERO COC(=O)C[C@@H]1CC2=C(CCC[C@H]2[NH3+])O1 ZINC000082162628 173626614 /nfs/dbraw/zinc/62/66/14/173626614.db2.gz OTUDPBPQDWXAHP-IONNQARKSA-N 1 0 211.261 1.104 10 0 BDAERO COC(=O)c1ccc(C[NH2+]C2CC(C)C2)[nH]1 ZINC000163751221 173877727 /nfs/dbraw/zinc/87/77/27/173877727.db2.gz PBQIAIIZSINPGV-UHFFFAOYSA-N 1 0 222.288 1.689 10 0 BDAERO COC1CC([NH2+]C[C@H]2CCO[C@H]2C(C)C)C1 ZINC000309961485 174018511 /nfs/dbraw/zinc/01/85/11/174018511.db2.gz LJAIJMSOHOGVJZ-XVSSEFHLSA-N 1 0 227.348 1.815 10 0 BDAERO COC1CCN(C(=O)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000037266869 174027111 /nfs/dbraw/zinc/02/71/11/174027111.db2.gz QBNRJRDZXRRXRZ-MNOVXSKESA-N 1 0 240.347 1.012 10 0 BDAERO COC1CC[NH+]([C@H]([C@H](C)N)C(C)(C)C)CC1 ZINC000043292258 174029608 /nfs/dbraw/zinc/02/96/08/174029608.db2.gz KRTKAFJQKQGWSA-CMPLNLGQSA-N 1 0 228.380 1.859 10 0 BDAERO COCC(C)(C)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000336709217 174069527 /nfs/dbraw/zinc/06/95/27/174069527.db2.gz MLAQTDREKBPQQH-ZDUSSCGKSA-N 1 0 240.391 1.829 10 0 BDAERO COCC(C)(C)C[NH2+]C[C@H]1CCC[C@H]1O ZINC000336753506 174072637 /nfs/dbraw/zinc/07/26/37/174072637.db2.gz GUZBKWCDBFXWCO-GHMZBOCLSA-N 1 0 215.337 1.410 10 0 BDAERO COCCC(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000053731211 174123628 /nfs/dbraw/zinc/12/36/28/174123628.db2.gz FZFXAAODSIKOCB-GFCCVEGCSA-N 1 0 240.347 1.014 10 0 BDAERO COCCCCC[NH+]1[C@H](C)COC[C@H]1C ZINC000120758347 174179502 /nfs/dbraw/zinc/17/95/02/174179502.db2.gz PHMMTGDJYLZFBO-VXGBXAGGSA-N 1 0 215.337 1.912 10 0 BDAERO COCCCN(CCOC)C[C@H]1CCCC[NH2+]1 ZINC000042425409 174223458 /nfs/dbraw/zinc/22/34/58/174223458.db2.gz XLGIKNTZSWTQKB-CYBMUJFWSA-N 1 0 244.379 1.113 10 0 BDAERO COCCC[N@H+](CCOC)[C@](C)(C[NH3+])C1CC1 ZINC000042420773 174226386 /nfs/dbraw/zinc/22/63/86/174226386.db2.gz NNBXBBZQANTEDI-CYBMUJFWSA-N 1 0 244.379 1.099 10 0 BDAERO COCCCNC(=O)CC1CCC(C[NH3+])CC1 ZINC000104105191 174236461 /nfs/dbraw/zinc/23/64/61/174236461.db2.gz QWUCXUZGBYPTAA-UHFFFAOYSA-N 1 0 242.363 1.294 10 0 BDAERO COCCC[NH2+]CCN1CCCCCC1 ZINC000041227746 174247016 /nfs/dbraw/zinc/24/70/16/174247016.db2.gz LCBCADVORNKXST-UHFFFAOYSA-N 1 0 214.353 1.489 10 0 BDAERO COCCCOc1ccnc(C[NH3+])c1C ZINC000095830747 174257941 /nfs/dbraw/zinc/25/79/41/174257941.db2.gz VGSJILMOTOAUMI-UHFFFAOYSA-N 1 0 210.277 1.264 10 0 BDAERO COCCC[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309057360 174262824 /nfs/dbraw/zinc/26/28/24/174262824.db2.gz VARBAKHCZKZGMO-WDEREUQCSA-N 1 0 217.353 1.798 10 0 BDAERO COCCCn1c(N)[nH+]c2ccccc21 ZINC000034974492 174266632 /nfs/dbraw/zinc/26/66/32/174266632.db2.gz DHERWSZPTMYNLA-UHFFFAOYSA-N 1 0 205.261 1.655 10 0 BDAERO COCCN(C(=O)C1([NH3+])CCCCC1)C1CC1 ZINC000037814618 174267722 /nfs/dbraw/zinc/26/77/22/174267722.db2.gz ZQWCBVFDOYAVLA-UHFFFAOYSA-N 1 0 240.347 1.285 10 0 BDAERO COCCN(C)C(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055163165 174273054 /nfs/dbraw/zinc/27/30/54/174273054.db2.gz WILBBRLHYISJRI-RYUDHWBXSA-N 1 0 242.363 1.246 10 0 BDAERO COCCN(C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267787 174281258 /nfs/dbraw/zinc/28/12/58/174281258.db2.gz UAESGNKGYLNGJW-UHFFFAOYSA-N 1 0 239.294 1.188 10 0 BDAERO COCCN(C)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915071 174282234 /nfs/dbraw/zinc/28/22/34/174282234.db2.gz DZIWEKMVLCZCQO-ZWNOBZJWSA-N 1 0 240.322 1.792 10 0 BDAERO COCCN(C)[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043036269 174282569 /nfs/dbraw/zinc/28/25/69/174282569.db2.gz JWHGSKWGCFKLHL-GXTWGEPZSA-N 1 0 236.359 1.962 10 0 BDAERO COCCN(C)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915069 174284104 /nfs/dbraw/zinc/28/41/04/174284104.db2.gz DZIWEKMVLCZCQO-MFKMUULPSA-N 1 0 240.322 1.792 10 0 BDAERO COCCN([C@H](C[NH3+])c1ccccn1)C1CC1 ZINC000042517871 174284791 /nfs/dbraw/zinc/28/47/91/174284791.db2.gz KONYHNBTWHNITL-CYBMUJFWSA-N 1 0 235.331 1.192 10 0 BDAERO COCCN(CC1([NH3+])CCCC1)[C@@H](C)COC ZINC000042610820 174288339 /nfs/dbraw/zinc/28/83/39/174288339.db2.gz NSVDGXOTLWONSU-LBPRGKRZSA-N 1 0 244.379 1.241 10 0 BDAERO COCC[NH+](CCOC)C[C@H]1CCCC[C@H]1[NH3+] ZINC000053859487 174296235 /nfs/dbraw/zinc/29/62/35/174296235.db2.gz XOFUFWCRUXMDSP-CHWSQXEVSA-N 1 0 244.379 1.099 10 0 BDAERO COCCN(c1ccc(N)nc1)[C@@H](C)COC ZINC000042602590 174301837 /nfs/dbraw/zinc/30/18/37/174301837.db2.gz KYNORINNTWXNPV-JTQLQIEISA-N 1 0 239.319 1.152 10 0 BDAERO COCCN1C[C@@H](C)[NH2+]C[C@H]1c1ccccc1 ZINC000062617173 174317053 /nfs/dbraw/zinc/31/70/53/174317053.db2.gz XSNWXKRZFPTYSM-OCCSQVGLSA-N 1 0 234.343 1.668 10 0 BDAERO COCCN1C[C@H](C)[NH2+]C[C@H]1c1ccccc1 ZINC000062617175 174318807 /nfs/dbraw/zinc/31/88/07/174318807.db2.gz XSNWXKRZFPTYSM-JSGCOSHPSA-N 1 0 234.343 1.668 10 0 BDAERO COCCNC(=O)C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042860856 174321424 /nfs/dbraw/zinc/32/14/24/174321424.db2.gz LRESSOVHTBXYJZ-VXGBXAGGSA-N 1 0 242.363 1.165 10 0 BDAERO COCCNC1=[NH+]C2(CCCC2)CS1 ZINC000053044909 174330697 /nfs/dbraw/zinc/33/06/97/174330697.db2.gz DWWIHPLQWJFDRH-UHFFFAOYSA-N 1 0 214.334 1.638 10 0 BDAERO COCC[NH2+]CCN(C)Cc1ccccc1C ZINC000042427987 174332478 /nfs/dbraw/zinc/33/24/78/174332478.db2.gz ZUEZYOAZWDBQEG-UHFFFAOYSA-N 1 0 236.359 1.663 10 0 BDAERO COCC[NH2+]CCN1CCC[C@@H]2CCCC[C@@H]21 ZINC000053342042 174332526 /nfs/dbraw/zinc/33/25/26/174332526.db2.gz YHDRZGKPPRPWAB-KBPBESRZSA-N 1 0 240.391 1.877 10 0 BDAERO COCC[NH2+]CCCN(C)c1ccccc1F ZINC000053499709 174332707 /nfs/dbraw/zinc/33/27/07/174332707.db2.gz GRMZPVCCSFDLPF-UHFFFAOYSA-N 1 0 240.322 1.888 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1ccc(C)c(C)c1 ZINC000049819401 174333380 /nfs/dbraw/zinc/33/33/80/174333380.db2.gz SMQCNQAWOHLQPD-CYBMUJFWSA-N 1 0 223.316 1.573 10 0 BDAERO COCC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671096 174340446 /nfs/dbraw/zinc/34/04/46/174340446.db2.gz QBAXHNWYNFGXQB-HNNXBMFYSA-N 1 0 248.370 1.539 10 0 BDAERO COCCO[C@@H]1COc2ccccc2[C@H]1[NH3+] ZINC000019283143 174366379 /nfs/dbraw/zinc/36/63/79/174366379.db2.gz GHQGPITXFWOFKL-VXGBXAGGSA-N 1 0 223.272 1.110 10 0 BDAERO COCCOc1ccc(/C=C/C[NH3+])cc1 ZINC000071510426 174367247 /nfs/dbraw/zinc/36/72/47/174367247.db2.gz GPQJLTAKRVKPSZ-NSCUHMNNSA-N 1 0 207.273 1.684 10 0 BDAERO COCCOc1ccc(-c2nc[nH]c2C[NH3+])cc1 ZINC000071561689 174367249 /nfs/dbraw/zinc/36/72/49/174367249.db2.gz RGKQNRHTDWDIHL-UHFFFAOYSA-N 1 0 247.298 1.561 10 0 BDAERO COCC[C@@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336755851 174382903 /nfs/dbraw/zinc/38/29/03/174382903.db2.gz GPPWDAQKWUIZBI-NEPJUHHUSA-N 1 0 227.348 1.818 10 0 BDAERO COCC[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000371896739 174386737 /nfs/dbraw/zinc/38/67/37/174386737.db2.gz ADXVWWUEEQOZBF-MNOVXSKESA-N 1 0 223.320 1.213 10 0 BDAERO COCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)o1 ZINC000052792067 174392417 /nfs/dbraw/zinc/39/24/17/174392417.db2.gz RLDAZXBKGQJWCO-NXEZZACHSA-N 1 0 240.303 1.129 10 0 BDAERO COCC[C@@H]([NH3+])c1nc2ccccc2n1C ZINC000052785195 174393332 /nfs/dbraw/zinc/39/33/32/174393332.db2.gz KWWFWULJANNCCM-SECBINFHSA-N 1 0 219.288 1.610 10 0 BDAERO COC[C@H](C)N(C)c1ccc(C(N)=[NH2+])cc1F ZINC000042518422 174538595 /nfs/dbraw/zinc/53/85/95/174538595.db2.gz IJFVFICBZJOXKA-QMMMGPOBSA-N 1 0 239.294 1.581 10 0 BDAERO COC[C@H]([NH3+])Cc1ccccc1Br ZINC000049672297 174574769 /nfs/dbraw/zinc/57/47/69/174574769.db2.gz HIANWPNXGZCNDA-SECBINFHSA-N 1 0 244.132 1.965 10 0 BDAERO CO[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055088098 174749832 /nfs/dbraw/zinc/74/98/32/174749832.db2.gz JXTIJBUSWOQOQN-NOOOWODRSA-N 1 0 240.347 1.188 10 0 BDAERO CO[C@@H]1CCC[C@H]1Nc1cc(N)cc[nH+]1 ZINC000050368611 174754020 /nfs/dbraw/zinc/75/40/20/174754020.db2.gz WZWHDXLWSJUDRR-NXEZZACHSA-N 1 0 207.277 1.643 10 0 BDAERO CO[C@H](C)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000309460595 174817449 /nfs/dbraw/zinc/81/74/49/174817449.db2.gz NTPBSNYRINXOJY-KKOKHZNYSA-N 1 0 227.348 1.815 10 0 BDAERO CO[C@H]1CCC[C@H]1[NH2+][C@@H]1CN2CCC1CC2 ZINC000050370675 174883568 /nfs/dbraw/zinc/88/35/68/174883568.db2.gz AVFHFJYRGPGANI-UPJWGTAASA-N 1 0 224.348 1.238 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1(C(C)C)CC1 ZINC000225812372 487629228 /nfs/dbraw/zinc/62/92/28/487629228.db2.gz GYSYDSMDHAQDIW-NSHDSACASA-N 1 0 226.364 1.912 10 0 BDAERO COc1cc(NCC[NH3+])cc(OC)c1OC ZINC000019732757 175002304 /nfs/dbraw/zinc/00/23/04/175002304.db2.gz LQQORKSWCXTOQQ-UHFFFAOYSA-N 1 0 226.276 1.083 10 0 BDAERO COc1cc(N[C@@H]2C[NH+]3CCC2CC3)ccc1N ZINC000104235543 175004051 /nfs/dbraw/zinc/00/40/51/175004051.db2.gz OXZMAURCUXFOEG-CYBMUJFWSA-N 1 0 247.342 1.784 10 0 BDAERO COc1cc(OC)cc(O[C@@H]2CC[NH2+]C2)c1 ZINC000070130391 175010631 /nfs/dbraw/zinc/01/06/31/175010631.db2.gz NAXSDKFGBOHWIB-SECBINFHSA-N 1 0 223.272 1.445 10 0 BDAERO COc1cc(C[C@H](C)[NH3+])c2c(c1)CCCO2 ZINC000005527857 175019260 /nfs/dbraw/zinc/01/92/60/175019260.db2.gz JFNZJASSBFVDDX-VIFPVBQESA-N 1 0 221.300 1.910 10 0 BDAERO COc1cc2c(cc1OC)C[NH2+]CCC2 ZINC000022057922 175024700 /nfs/dbraw/zinc/02/47/00/175024700.db2.gz QHNGDKGTMYVCMX-UHFFFAOYSA-N 1 0 207.273 1.740 10 0 BDAERO COc1cc2c(cn1)[C@H]1[NH2+]CC[C@@H]1CC2 ZINC000000006424 175026683 /nfs/dbraw/zinc/02/66/83/175026683.db2.gz PXBSPNGMNRTLCH-UFBFGSQYSA-N 1 0 204.273 1.687 10 0 BDAERO COc1cc2ccnc(CC[NH3+])c2cc1OC ZINC000041258891 175027203 /nfs/dbraw/zinc/02/72/03/175027203.db2.gz BIMMYIGLQGOYKK-UHFFFAOYSA-N 1 0 232.283 1.753 10 0 BDAERO COc1ccc(-c2cc(C[NH3+])no2)c(OC)c1 ZINC000040175367 175031508 /nfs/dbraw/zinc/03/15/08/175031508.db2.gz ZDOQHPRZHUSLQT-UHFFFAOYSA-N 1 0 234.255 1.818 10 0 BDAERO COc1ccc(-c2c[nH]c(N)[nH+]2)c(OC)c1 ZINC000031891160 175036286 /nfs/dbraw/zinc/03/62/86/175036286.db2.gz WQVWYDGECLZHJH-UHFFFAOYSA-N 1 0 219.244 1.676 10 0 BDAERO COc1ccc(-n2nc(C)c(CC[NH3+])c2C)cc1 ZINC000041296219 175044604 /nfs/dbraw/zinc/04/46/04/175044604.db2.gz XJBMVLDQSXZDRO-UHFFFAOYSA-N 1 0 245.326 1.999 10 0 BDAERO COc1ccc(-n2cncc2C[NH3+])cc1 ZINC000076638702 175045181 /nfs/dbraw/zinc/04/51/81/175045181.db2.gz HDQSSCYINPIOPV-UHFFFAOYSA-N 1 0 203.245 1.340 10 0 BDAERO COc1ccc(/C(=C\F)C[NH3+])cc1OC ZINC000095934849 175045639 /nfs/dbraw/zinc/04/56/39/175045639.db2.gz HLNSVKSSCLHOSW-TWGQIWQCSA-N 1 0 211.236 1.973 10 0 BDAERO COc1ccc(Br)c([C@H]([NH3+])CO)c1 ZINC000072199008 175050915 /nfs/dbraw/zinc/05/09/15/175050915.db2.gz LNVXUCAUPVCQCG-SECBINFHSA-N 1 0 246.104 1.450 10 0 BDAERO COc1ccc(C(=[NH2+])NN)c(Cl)c1Cl ZINC000077367818 175051975 /nfs/dbraw/zinc/05/19/75/175051975.db2.gz FYJYEOQMWVYGRR-UHFFFAOYSA-N 1 0 234.086 1.791 10 0 BDAERO COc1ccc(C(=O)[C@H](C)[NH3+])c(Cl)c1 ZINC000071518887 175066168 /nfs/dbraw/zinc/06/61/68/175066168.db2.gz MDKMFKLSELZXDU-LURJTMIESA-N 1 0 213.664 1.879 10 0 BDAERO COc1ccc(C)cc1CN(C)C(=O)CC[NH3+] ZINC000040855498 175074988 /nfs/dbraw/zinc/07/49/88/175074988.db2.gz FAHXEOHIZMPSRP-UHFFFAOYSA-N 1 0 236.315 1.311 10 0 BDAERO COc1ccc(C)cc1N1CC[C@H]([NH3+])C1 ZINC000037240781 175076909 /nfs/dbraw/zinc/07/69/09/175076909.db2.gz ZIYYZKXMRWQJPL-JTQLQIEISA-N 1 0 206.289 1.541 10 0 BDAERO COc1ccc(C)cc1NC(=O)[C@H](C)CC[NH3+] ZINC000076619040 175077820 /nfs/dbraw/zinc/07/78/20/175077820.db2.gz XWSRVFDYPXTXPX-SNVBAGLBSA-N 1 0 236.315 1.927 10 0 BDAERO COc1ccc(CC2([NH3+])CCOCC2)cc1F ZINC000063077176 175088168 /nfs/dbraw/zinc/08/81/68/175088168.db2.gz FXFOJOPTOLFWOG-UHFFFAOYSA-N 1 0 239.290 1.885 10 0 BDAERO COc1ccc(CC[NH2+]CC(C)(C)O)cc1F ZINC000098126645 175091778 /nfs/dbraw/zinc/09/17/78/175091778.db2.gz ZYGFKFLBWDDGGC-UHFFFAOYSA-N 1 0 241.306 1.737 10 0 BDAERO COc1ccc(C[N@H+](CCO)C2CC2)cc1N ZINC000042478422 175097029 /nfs/dbraw/zinc/09/70/29/175097029.db2.gz MRUHQIWNHNMRPK-UHFFFAOYSA-N 1 0 236.315 1.234 10 0 BDAERO COc1ccc(CN(CC[NH3+])C2CC2)cc1C ZINC000076617284 175097081 /nfs/dbraw/zinc/09/70/81/175097081.db2.gz SKLKPFKRKHHFMX-UHFFFAOYSA-N 1 0 234.343 1.927 10 0 BDAERO COc1ccc(C[NH3+])c(OCCn2cccn2)c1 ZINC000049313822 175097630 /nfs/dbraw/zinc/09/76/30/175097630.db2.gz YNOYJGXHFYVUEF-UHFFFAOYSA-N 1 0 247.298 1.429 10 0 BDAERO COc1ccc(CN2CC[NH2+]CC[C@@H]2C)cc1 ZINC000071544637 175099555 /nfs/dbraw/zinc/09/95/55/175099555.db2.gz XWQCBDNWFDJVSQ-LBPRGKRZSA-N 1 0 234.343 1.879 10 0 BDAERO COc1ccc(C[NH2+]C2(C(C)C)CC2)nn1 ZINC000292928483 175105564 /nfs/dbraw/zinc/10/55/64/175105564.db2.gz GSNKFIXMKIHYSY-UHFFFAOYSA-N 1 0 221.304 1.763 10 0 BDAERO COc1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)cn1 ZINC000336702130 175107353 /nfs/dbraw/zinc/10/73/53/175107353.db2.gz LBAYYTBLGHQNSM-LLVKDONJSA-N 1 0 238.331 1.587 10 0 BDAERO COc1ccc(COCC[NH3+])c(OC)c1C ZINC000077338742 175113502 /nfs/dbraw/zinc/11/35/02/175113502.db2.gz QDCALRUMEAAUMY-UHFFFAOYSA-N 1 0 225.288 1.488 10 0 BDAERO COc1ccc(COCCC[NH3+])cc1F ZINC000051864971 175113671 /nfs/dbraw/zinc/11/36/71/175113671.db2.gz BXBWAKQMHLIQLV-UHFFFAOYSA-N 1 0 213.252 1.700 10 0 BDAERO COc1ccc(C[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000071525167 175115527 /nfs/dbraw/zinc/11/55/27/175115527.db2.gz XIFCFMCVWOXPAN-GFCCVEGCSA-N 1 0 223.316 1.597 10 0 BDAERO COc1ccc(C[C@H]([NH3+])[C@H]2CCOC2)cc1 ZINC000048627531 175117024 /nfs/dbraw/zinc/11/70/24/175117024.db2.gz SOEYODRPVBQSDW-AAEUAGOBSA-N 1 0 221.300 1.602 10 0 BDAERO COc1ccc(F)cc1-c1nccnc1C[NH3+] ZINC000082546898 175127341 /nfs/dbraw/zinc/12/73/41/175127341.db2.gz ZHTNCNIKLQGKHL-UHFFFAOYSA-N 1 0 233.246 1.750 10 0 BDAERO COc1ccc(F)cc1[C@@H](O)[C@H]1CCC[NH2+]1 ZINC000036161670 175133732 /nfs/dbraw/zinc/13/37/32/175133732.db2.gz PLLDIDVEVYWLCJ-ZYHUDNBSSA-N 1 0 225.263 1.620 10 0 BDAERO COc1ccc(F)cc1[C@H](O)[C@H]1CCC[NH2+]1 ZINC000036161666 175134353 /nfs/dbraw/zinc/13/43/53/175134353.db2.gz PLLDIDVEVYWLCJ-PWSUYJOCSA-N 1 0 225.263 1.620 10 0 BDAERO COc1ccc(NC(=O)C[C@H](C)C[NH3+])cc1 ZINC000076611157 175142148 /nfs/dbraw/zinc/14/21/48/175142148.db2.gz VDNGOKGNJRVFFD-VIFPVBQESA-N 1 0 222.288 1.619 10 0 BDAERO COc1ccc(OC)c(-c2cc(C[NH3+])no2)c1 ZINC000020270367 175162793 /nfs/dbraw/zinc/16/27/93/175162793.db2.gz VDOUMYQJLLHHRE-UHFFFAOYSA-N 1 0 234.255 1.818 10 0 BDAERO COc1ccc(OC)c(CC[NH2+]C2CC2)c1 ZINC000055235049 175165507 /nfs/dbraw/zinc/16/55/07/175165507.db2.gz PMWVLBFPBXQBNM-UHFFFAOYSA-N 1 0 221.300 1.998 10 0 BDAERO COc1ccc(OC)c(N(C)C[C@@H](C)C[NH3+])c1 ZINC000049829380 175166481 /nfs/dbraw/zinc/16/64/81/175166481.db2.gz RXNKCVRRPSYBQZ-JTQLQIEISA-N 1 0 238.331 1.735 10 0 BDAERO COc1ccc(OC)c2c1CC[C@@H]([NH3+])C2 ZINC000029213620 175170534 /nfs/dbraw/zinc/17/05/34/175170534.db2.gz ZBZBZZQOTZTHIC-MRVPVSSYSA-N 1 0 207.273 1.520 10 0 BDAERO COc1ccc(OC)c2c1CC[C@@H]1[NH2+]CCO[C@@H]21 ZINC000005054934 175170536 /nfs/dbraw/zinc/17/05/36/175170536.db2.gz IWIOMGBNNCSSIO-IINYFYTJSA-N 1 0 249.310 1.680 10 0 BDAERO COc1ccc(OC)c2c1CC[C@]([NH3+])(C(C)=O)C2 ZINC000082312218 175170853 /nfs/dbraw/zinc/17/08/53/175170853.db2.gz UIROGTXKSYONNE-CQSZACIVSA-N 1 0 249.310 1.479 10 0 BDAERO COc1ccc(OCC[NH+]2CCCC2)c(C=O)c1 ZINC000037093830 175172476 /nfs/dbraw/zinc/17/24/76/175172476.db2.gz VOVKNJUSWWSIBX-UHFFFAOYSA-N 1 0 249.310 1.982 10 0 BDAERO COc1ccc([C@@H](N)C[NH3+])c(Cl)c1OC ZINC000044469762 175179833 /nfs/dbraw/zinc/17/98/33/175179833.db2.gz QXJRXTDIBUIVTK-ZETCQYMHSA-N 1 0 230.695 1.316 10 0 BDAERO COc1ccc([C@@H](O)C[NH3+])c(Cl)c1Cl ZINC000083256333 175180746 /nfs/dbraw/zinc/18/07/46/175180746.db2.gz VNSLBMNDXRIPNK-LURJTMIESA-N 1 0 236.098 1.994 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000032013934 175181164 /nfs/dbraw/zinc/18/11/64/175181164.db2.gz NREMDLGKOIBGJD-DGCLKSJQSA-N 1 0 221.300 1.728 10 0 BDAERO COc1ccc([C@@H]([C@H](C)[NH3+])n2cncn2)cc1 ZINC000042962215 175181902 /nfs/dbraw/zinc/18/19/02/175181902.db2.gz YFUBHPHASCJDCR-JOYOIKCWSA-N 1 0 232.287 1.223 10 0 BDAERO COc1ccc([C@@H]2C[NH2+][C@H](C)CO2)cc1F ZINC000036986503 175184207 /nfs/dbraw/zinc/18/42/07/175184207.db2.gz SNKNVRXDXPREBO-PELKAZGASA-N 1 0 225.263 1.884 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C)O2)cc1OC ZINC000033466015 175184315 /nfs/dbraw/zinc/18/43/15/175184315.db2.gz FTTZCTQTVKSJGY-RNCFNFMXSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@@](C)([NH3+])CCO)c(OC)c1 ZINC000082540098 175185952 /nfs/dbraw/zinc/18/59/52/175185952.db2.gz BWIVMPSMWUBHNX-LBPRGKRZSA-N 1 0 225.288 1.260 10 0 BDAERO COc1ccc([C@H]([NH3+])CN(C)C)cc1F ZINC000020260382 175191774 /nfs/dbraw/zinc/19/17/74/175191774.db2.gz JHRFABVNJJFVSZ-SNVBAGLBSA-N 1 0 212.268 1.396 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H]2CCOC2)cc1F ZINC000048623336 175192311 /nfs/dbraw/zinc/19/23/11/175192311.db2.gz DVZSHYPIRRWGNZ-SKDRFNHKSA-N 1 0 225.263 1.871 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@H]2COCCO2)c(C)c1 ZINC000055298925 175192723 /nfs/dbraw/zinc/19/27/23/175192723.db2.gz PCTIMDRNVSBIPQ-OLZOCXBDSA-N 1 0 237.299 1.419 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CO2)c(Cl)c1 ZINC000082533886 175197081 /nfs/dbraw/zinc/19/70/81/175197081.db2.gz AHYZSBMOWUOLOT-SNVBAGLBSA-N 1 0 213.664 1.967 10 0 BDAERO CCCN1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324569765 487630293 /nfs/dbraw/zinc/63/02/93/487630293.db2.gz WFWJHUVCBHXBMB-RYUDHWBXSA-N 1 0 228.380 1.467 10 0 BDAERO COc1ccc2c(c1)CC[C@H]([C@](C)([NH3+])CO)C2 ZINC000082048708 175209805 /nfs/dbraw/zinc/20/98/05/175209805.db2.gz YCVMPDYGRXBACL-GXTWGEPZSA-N 1 0 235.327 1.510 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])CCCS2(=O)=O ZINC000034975122 175216738 /nfs/dbraw/zinc/21/67/38/175216738.db2.gz RMCRNLZOFZCZMA-SNVBAGLBSA-N 1 0 241.312 1.263 10 0 BDAERO COc1ccc2c(c1)nc([C@H](C)C[NH3+])n2C ZINC000076015178 175219493 /nfs/dbraw/zinc/21/94/93/175219493.db2.gz MFFHCGRPQOHJSB-MRVPVSSYSA-N 1 0 219.288 1.644 10 0 BDAERO COc1cccc(-c2nc([C@H](C)[NH3+])no2)c1 ZINC000041052229 175236221 /nfs/dbraw/zinc/23/62/21/175236221.db2.gz YHRWPLKROIZJPR-ZETCQYMHSA-N 1 0 219.244 1.765 10 0 BDAERO COc1cccc(C(=O)CN2CCC([NH3+])CC2)c1 ZINC000050158311 175242878 /nfs/dbraw/zinc/24/28/78/175242878.db2.gz OTVOAPLDYCBAMK-UHFFFAOYSA-N 1 0 248.326 1.301 10 0 BDAERO COc1cccc(C(=O)[C@H]2CCC[NH2+]2)c1 ZINC000041213536 175247035 /nfs/dbraw/zinc/24/70/35/175247035.db2.gz BZKUPRFWTQRBBV-LLVKDONJSA-N 1 0 205.257 1.630 10 0 BDAERO COc1cccc(C23CC(C2)C[NH2+]C3)c1 ZINC000097757686 175249133 /nfs/dbraw/zinc/24/91/33/175249133.db2.gz SFSGOHSYKKPPAD-UHFFFAOYSA-N 1 0 203.285 1.946 10 0 BDAERO COc1cccc(CCN2C[C@H](C[NH3+])CC2=O)c1 ZINC000019669388 175252016 /nfs/dbraw/zinc/25/20/16/175252016.db2.gz CRXDFKUODURJIU-LBPRGKRZSA-N 1 0 248.326 1.045 10 0 BDAERO COc1cccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000039348975 175275773 /nfs/dbraw/zinc/27/57/73/175275773.db2.gz MVONHRDMOWJDGW-GHMZBOCLSA-N 1 0 218.300 1.351 10 0 BDAERO COc1cccc(OC)c1OCC[C@H](C)[NH3+] ZINC000032015029 175282781 /nfs/dbraw/zinc/28/27/81/175282781.db2.gz BEWBGVYXRKZXGL-VIFPVBQESA-N 1 0 225.288 1.820 10 0 BDAERO COc1cccc([C@@H](CC[NH3+])C(=O)NC2CC2)c1 ZINC000076633739 175288028 /nfs/dbraw/zinc/28/80/28/175288028.db2.gz NMGGNWDINOPYHB-CYBMUJFWSA-N 1 0 248.326 1.406 10 0 BDAERO COc1cccc([C@H](O)[C@H](C)[NH3+])c1OC ZINC000020216935 175294946 /nfs/dbraw/zinc/29/49/46/175294946.db2.gz GWLPOWLUMAKGCV-OIBJUYFYSA-N 1 0 211.261 1.084 10 0 BDAERO COc1cccc([S@@](=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000083294993 175297444 /nfs/dbraw/zinc/29/74/44/175297444.db2.gz YGHSGPUHTDKQKU-QLJPJBMISA-N 1 0 239.340 1.412 10 0 BDAERO COc1cccc2[nH]cc([C@@H]3C[C@@H]3[NH3+])c21 ZINC000013782222 175298010 /nfs/dbraw/zinc/29/80/10/175298010.db2.gz SVXXIYYEEVIKRL-CBAPKCEASA-N 1 0 202.257 1.991 10 0 BDAERO COc1cccc2c([C@H](C[NH3+])N(C)C)c[nH]c21 ZINC000082605157 175299874 /nfs/dbraw/zinc/29/98/74/175299874.db2.gz MZDYWCKVIJXYKJ-NSHDSACASA-N 1 0 233.315 1.738 10 0 BDAERO COc1ccccc1-c1ccc(C[NH3+])c(=O)[nH]1 ZINC000043404298 175309338 /nfs/dbraw/zinc/30/93/38/175309338.db2.gz LAHMKECINQFYGX-UHFFFAOYSA-N 1 0 230.267 1.509 10 0 BDAERO COc1ccccc1-c1nc([C@H](C)[NH3+])no1 ZINC000041052247 175310506 /nfs/dbraw/zinc/31/05/06/175310506.db2.gz ZENOTNDIDWJWML-ZETCQYMHSA-N 1 0 219.244 1.765 10 0 BDAERO COc1ccccc1C(=O)N[C@H]1CCC[C@H]1[NH3+] ZINC000063173902 175319157 /nfs/dbraw/zinc/31/91/57/175319157.db2.gz VSOCAJATJFTRCY-MNOVXSKESA-N 1 0 234.299 1.305 10 0 BDAERO COc1ccccc1CCN1CCC[C@@H]([NH3+])C1=O ZINC000076692672 175322529 /nfs/dbraw/zinc/32/25/29/175322529.db2.gz ANJKCELHDBAHLG-GFCCVEGCSA-N 1 0 248.326 1.187 10 0 BDAERO COc1ccccc1CN1CCC[NH2+]CC1=O ZINC000071543998 175327904 /nfs/dbraw/zinc/32/79/04/175327904.db2.gz MHAOKALYMPPUKM-UHFFFAOYSA-N 1 0 234.299 1.017 10 0 BDAERO COc1ccccc1CNC1=[NH+]CCS1 ZINC000020586314 175329471 /nfs/dbraw/zinc/32/94/71/175329471.db2.gz LVPHYSJPOJNIBH-UHFFFAOYSA-N 1 0 222.313 1.888 10 0 BDAERO COc1ccccc1C[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000062237061 175332482 /nfs/dbraw/zinc/33/24/82/175332482.db2.gz SMZBYAWNLGMSCF-QWHCGFSZSA-N 1 0 235.327 1.992 10 0 BDAERO COc1ccccc1C[C@@H](O)C1CC[NH2+]CC1 ZINC000041266073 175332941 /nfs/dbraw/zinc/33/29/41/175332941.db2.gz RPIMMSJURGFZMA-CYBMUJFWSA-N 1 0 235.327 1.598 10 0 BDAERO COc1ccccc1C[C@H](O)[C@@H]1CCC[NH2+]C1 ZINC000041266077 175333610 /nfs/dbraw/zinc/33/36/10/175333610.db2.gz RTCNRSXTKBKSSD-OLZOCXBDSA-N 1 0 235.327 1.598 10 0 BDAERO COc1ccccc1N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104219249 175335111 /nfs/dbraw/zinc/33/51/11/175335111.db2.gz GMALLPVCJIAISG-QWRGUYRKSA-N 1 0 248.326 1.514 10 0 BDAERO COc1ccccc1N(C)[C@@H]1CCC[NH2+]C1 ZINC000049966653 175335964 /nfs/dbraw/zinc/33/59/64/175335964.db2.gz WDFFGNWEVZNFGI-LLVKDONJSA-N 1 0 220.316 1.883 10 0 BDAERO COc1ccccc1N(C)C[C@@H](C)C[NH3+] ZINC000049814322 175336066 /nfs/dbraw/zinc/33/60/66/175336066.db2.gz PXXHNYUHTSPIAR-JTQLQIEISA-N 1 0 208.305 1.726 10 0 BDAERO COc1ccccc1[C@H]([C@H](C)[NH3+])n1cccn1 ZINC000043098629 175354281 /nfs/dbraw/zinc/35/42/81/175354281.db2.gz XOVXWDWAYIYOKZ-GWCFXTLKSA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccccc1[C@H]1C[NH2+]C[C@@H](C)O1 ZINC000032011705 175355021 /nfs/dbraw/zinc/35/50/21/175355021.db2.gz FTKMBYFFWWIEHQ-BXKDBHETSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccccc1[S@](=O)[C@H]1CCC[NH2+]C1 ZINC000083319589 175356073 /nfs/dbraw/zinc/35/60/73/175356073.db2.gz AWHWDSCGJQMIDB-QFYYESIMSA-N 1 0 239.340 1.555 10 0 BDAERO COc1ccnc(N[C@H](C)CCCC[NH3+])n1 ZINC000309412347 175367631 /nfs/dbraw/zinc/36/76/31/175367631.db2.gz GIDWBTUXNWRCQG-SECBINFHSA-N 1 0 224.308 1.415 10 0 BDAERO COc1ccnc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000051918342 175367925 /nfs/dbraw/zinc/36/79/25/175367925.db2.gz YGUALTVEYJITRX-JTQLQIEISA-N 1 0 237.303 1.254 10 0 BDAERO COc1cncc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000290080706 175385699 /nfs/dbraw/zinc/38/56/99/175385699.db2.gz WQIHZPBOPQOZES-GXFFZTMASA-N 1 0 236.315 1.747 10 0 BDAERO COc1cncc(N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000035837713 175386515 /nfs/dbraw/zinc/38/65/15/175386515.db2.gz QTYHSYUWBGUQAG-AWEZNQCLSA-N 1 0 247.342 1.622 10 0 BDAERO COc1ncccc1NC(=O)[C@H]([NH3+])C(C)C ZINC000037030579 175410417 /nfs/dbraw/zinc/41/04/17/175410417.db2.gz RMQBCGILHPYRDB-SECBINFHSA-N 1 0 223.276 1.012 10 0 BDAERO C[C@@H]1CSCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000306665588 487630623 /nfs/dbraw/zinc/63/06/23/487630623.db2.gz UEVOOLNDHJIRSA-HBNTYKKESA-N 1 0 215.362 1.585 10 0 BDAERO CSc1nccnc1CNC1CC[NH2+]CC1 ZINC000095071931 175590544 /nfs/dbraw/zinc/59/05/44/175590544.db2.gz YBWOFDXHMZCDHC-UHFFFAOYSA-N 1 0 238.360 1.040 10 0 BDAERO C[C@@H](CCc1ccco1)N1CC[NH2+]CC1 ZINC000049568578 175686637 /nfs/dbraw/zinc/68/66/37/175686637.db2.gz SSTLWZKDGPVIFB-NSHDSACASA-N 1 0 208.305 1.506 10 0 BDAERO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000042539782 175781361 /nfs/dbraw/zinc/78/13/61/175781361.db2.gz ZBODUFNQNIZIRR-XQQFMLRXSA-N 1 0 237.347 1.555 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1Cl ZINC000020300507 175800170 /nfs/dbraw/zinc/80/01/70/175800170.db2.gz NVIYLKSGPYAKBY-RXMQYKEDSA-N 1 0 216.643 1.765 10 0 BDAERO C[C@@H]([NH3+])CC(=O)Nc1ccc(F)c(F)c1F ZINC000037475768 175803385 /nfs/dbraw/zinc/80/33/85/175803385.db2.gz HUMJEEBTJYZYSQ-RXMQYKEDSA-N 1 0 232.205 1.780 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(Cc2ccccc2F)no1 ZINC000049671281 175807806 /nfs/dbraw/zinc/80/78/06/175807806.db2.gz IKYKIDYEONMWOP-MRVPVSSYSA-N 1 0 235.262 1.689 10 0 BDAERO C[C@@H](OCC1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC000051814974 176002134 /nfs/dbraw/zinc/00/21/34/176002134.db2.gz XJICQGVCMKQOAU-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@@H](O[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068407 176003218 /nfs/dbraw/zinc/00/32/18/176003218.db2.gz RBAOTLLTHNLGTL-NXEZZACHSA-N 1 0 207.277 1.306 10 0 BDAERO C[C@@H](Oc1ccccc1C[NH3+])C(=O)N1CCCC1 ZINC000020386595 176006433 /nfs/dbraw/zinc/00/64/33/176006433.db2.gz YCNJYTUWFDYSNY-LLVKDONJSA-N 1 0 248.326 1.535 10 0 BDAERO C[C@@H](c1cccc(F)c1)N1C[C@@H]([NH3+])CC1=O ZINC000049531920 176018587 /nfs/dbraw/zinc/01/85/87/176018587.db2.gz HZKGDXCJPKZVTA-KWQFWETISA-N 1 0 222.263 1.446 10 0 BDAERO C[C@@H](c1ccccc1)N(C)C(=O)C(C)(C)[NH3+] ZINC000048611069 176018819 /nfs/dbraw/zinc/01/88/19/176018819.db2.gz ZDLZFQQOAQENTO-JTQLQIEISA-N 1 0 220.316 1.943 10 0 BDAERO C[C@@H](c1ccco1)N(C)C(=O)C1CC[NH2+]CC1 ZINC000083903875 176030720 /nfs/dbraw/zinc/03/07/20/176030720.db2.gz OPFCYJQLBXGWDB-JTQLQIEISA-N 1 0 236.315 1.799 10 0 BDAERO C[C@@H](c1ccco1)N1CC[NH2+]C[C@@H](C)C1 ZINC000049662003 176032898 /nfs/dbraw/zinc/03/28/98/176032898.db2.gz YMIABTRHJFSCSH-MNOVXSKESA-N 1 0 208.305 1.882 10 0 BDAERO C[C@@H](c1ccncc1)N1CCCC[C@@H]1C[NH3+] ZINC000044539551 176035518 /nfs/dbraw/zinc/03/55/18/176035518.db2.gz OJODNIDJVRDYJB-WCQYABFASA-N 1 0 219.332 1.956 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CCNC2=O ZINC000051924724 176052268 /nfs/dbraw/zinc/05/22/68/176052268.db2.gz ASQLIFBGKYXWOL-BXKDBHETSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000053925899 176061914 /nfs/dbraw/zinc/06/19/14/176061914.db2.gz GTQNMXJGXRRGNH-OLZOCXBDSA-N 1 0 238.375 1.629 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(=O)CC1 ZINC000035041138 176069694 /nfs/dbraw/zinc/06/96/94/176069694.db2.gz IYGNVAPHZRAZKX-LLVKDONJSA-N 1 0 238.331 1.052 10 0 BDAERO C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000091972743 176093647 /nfs/dbraw/zinc/09/36/47/176093647.db2.gz GBDUYWAOBAPGRE-UTUOFQBUSA-N 1 0 239.363 1.555 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(C)CC(C)(C)C ZINC000051813054 176111949 /nfs/dbraw/zinc/11/19/49/176111949.db2.gz OYYBVXQWLRBSOE-MNOVXSKESA-N 1 0 226.364 1.879 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)N(C)C2C[NH2+]C2)C1 ZINC000335893610 176112607 /nfs/dbraw/zinc/11/26/07/176112607.db2.gz NQPYUGPBNZTNDO-NXEZZACHSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)NC1CCCCC1 ZINC000051791914 176112981 /nfs/dbraw/zinc/11/29/81/176112981.db2.gz HQZOHMISAPVVMJ-ZYHUDNBSSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1[NH3+] ZINC000055124399 176135741 /nfs/dbraw/zinc/13/57/41/176135741.db2.gz SAERYEFCZMYSHN-NOOOWODRSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@@H]1CCN(C(=O)CCOC2CC[NH2+]CC2)C1 ZINC000104380480 176155869 /nfs/dbraw/zinc/15/58/69/176155869.db2.gz JPHKPGPSCLEMII-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000308821669 176233472 /nfs/dbraw/zinc/23/34/72/176233472.db2.gz CEWSXHMOFUZZRJ-CHWFTXMASA-N 1 0 210.321 1.432 10 0 BDAERO C[C@@H]1CCc2nc([C@H]([NH3+])CO)sc2C1 ZINC000083347070 176240241 /nfs/dbraw/zinc/24/02/41/176240241.db2.gz OXTOMOKNFUOLHQ-RNFRBKRXSA-N 1 0 212.318 1.260 10 0 BDAERO CC(C)(C)[C@@H](O)CNC(=O)C1CCC([NH3+])CC1 ZINC000324593438 487633436 /nfs/dbraw/zinc/63/34/36/487633436.db2.gz FNZOBTANBGDDCO-ILDUYXDCSA-N 1 0 242.363 1.027 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1[NH+](C)C ZINC000089710166 176262085 /nfs/dbraw/zinc/26/20/85/176262085.db2.gz HKJWBMYDBUEXEB-YPMHNXCESA-N 1 0 232.327 1.709 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)C[C@@H](C)O1 ZINC000022146562 176262300 /nfs/dbraw/zinc/26/23/00/176262300.db2.gz UFUDNROUJJANLP-GHMZBOCLSA-N 1 0 248.326 1.395 10 0 BDAERO C[C@@H]1CN(C(=O)c2cscn2)C[C@H]1[NH+](C)C ZINC000089710044 176265829 /nfs/dbraw/zinc/26/58/29/176265829.db2.gz KFKDXDXBPZOXJH-PSASIEDQSA-N 1 0 239.344 1.165 10 0 BDAERO C[C@@H]1C[N@@H+](C2(CN)CCCCC2)CCCO1 ZINC000061916134 176279715 /nfs/dbraw/zinc/27/97/15/176279715.db2.gz VJVQGTIINDHZPO-GFCCVEGCSA-N 1 0 226.364 1.759 10 0 BDAERO C[C@@H]1CN(CC(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000312957846 176284118 /nfs/dbraw/zinc/28/41/18/176284118.db2.gz PACABDSGDJVCPK-MNOVXSKESA-N 1 0 242.363 1.210 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@H]1O ZINC000347011648 176300091 /nfs/dbraw/zinc/30/00/91/176300091.db2.gz RQGWNKCKPCBIGL-MPKXVKKWSA-N 1 0 217.312 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TYUIHZVXVGLOJV-GHMZBOCLSA-N 1 0 233.315 1.323 10 0 BDAERO C[C@@H]1C[NH+]=C(NC[C@H]2CCCO2)S1 ZINC000035295111 176323786 /nfs/dbraw/zinc/32/37/86/176323786.db2.gz CPQBLBAHGQWOLK-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@@H]1CNC(=O)CC[N@@H+]1Cc1ccccc1 ZINC000065492766 176324598 /nfs/dbraw/zinc/32/45/98/176324598.db2.gz WIWOADMTRBDPNA-LLVKDONJSA-N 1 0 218.300 1.397 10 0 BDAERO C[C@@H]1C[NH2+]CCN1Cc1ccc(O)cc1 ZINC000083344767 176327067 /nfs/dbraw/zinc/32/70/67/176327067.db2.gz RXWVTKZGCPYBCA-SNVBAGLBSA-N 1 0 206.289 1.186 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1c1nc(Cc2ccccn2)no1 ZINC000104204845 176328685 /nfs/dbraw/zinc/32/86/85/176328685.db2.gz RPODTDQIMFMHDE-KOLCDFICSA-N 1 0 244.298 1.378 10 0 BDAERO C[C@@H]1COCCN1Cc1ccc(C(N)=[NH2+])cc1 ZINC000035776346 176337186 /nfs/dbraw/zinc/33/71/86/176337186.db2.gz KUXFPINSWBPBSJ-SNVBAGLBSA-N 1 0 233.315 1.191 10 0 BDAERO C[C@@H]1CSC(NCc2ccncc2)=[NH+]1 ZINC000035295137 176348917 /nfs/dbraw/zinc/34/89/17/176348917.db2.gz HPEQVGDPSUIFFL-MRVPVSSYSA-N 1 0 207.302 1.663 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])c2c(F)ccc(F)c2S1(=O)=O ZINC000035752408 176370485 /nfs/dbraw/zinc/37/04/85/176370485.db2.gz HQHKWCQGVFNMKC-SVGQVSJJSA-N 1 0 247.266 1.531 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000336768302 176456192 /nfs/dbraw/zinc/45/61/92/176456192.db2.gz ULOUONYNLDPSII-IVZWLZJFSA-N 1 0 210.321 1.432 10 0 BDAERO C[C@@]([NH3+])(CCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378110 176511613 /nfs/dbraw/zinc/51/16/13/176511613.db2.gz WFYYHGWVJDYDLP-GFCCVEGCSA-N 1 0 228.336 1.445 10 0 BDAERO C[C@@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCO1 ZINC000094802457 176532644 /nfs/dbraw/zinc/53/26/44/176532644.db2.gz YRLXVOQGHPSHRZ-WZRBSPASSA-N 1 0 240.347 1.047 10 0 BDAERO C[C@H](CC1CC1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226138774 176612636 /nfs/dbraw/zinc/61/26/36/176612636.db2.gz ZIHWNTGCVPXGRY-ADEWGFFLSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H](CC[NH3+])Nc1nccc(C(C)(C)C)n1 ZINC000336686832 176628466 /nfs/dbraw/zinc/62/84/66/176628466.db2.gz 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DTDZBVSSQYTRBU-YUMQZZPRSA-N 1 0 218.256 1.018 10 0 BDAERO C[C@H]([NH3+])[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000083591953 176770597 /nfs/dbraw/zinc/77/05/97/176770597.db2.gz XFNHRUKNCBHPQT-YUMQZZPRSA-N 1 0 202.298 1.589 10 0 BDAERO C[C@H]([NH3+])[C@H](OC1CCCC1)c1cnn(C)c1 ZINC000043232999 176771037 /nfs/dbraw/zinc/77/10/37/176771037.db2.gz HGNGFECIOBSZTJ-CABZTGNLSA-N 1 0 223.320 1.768 10 0 BDAERO C[C@H]([NH3+])c1cnc(C[C@@H]2CCCO2)s1 ZINC000054159284 176778496 /nfs/dbraw/zinc/77/84/96/176778496.db2.gz HVRSBMLKWZVDNW-YUMQZZPRSA-N 1 0 212.318 1.884 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CCOC1)C(=O)N1CCCCC1 ZINC000037784231 176869800 /nfs/dbraw/zinc/86/98/00/176869800.db2.gz LLXQGVSRTHPBCY-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@H](O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124720591 176960654 /nfs/dbraw/zinc/96/06/54/176960654.db2.gz BSGJCPAQXCGACP-FQUUOJAGSA-N 1 0 241.375 1.773 10 0 BDAERO C[C@H](O)[C@@](C)(C[NH3+])Cc1ccc(F)cc1 ZINC000083777618 177010500 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/nfs/dbraw/zinc/02/46/31/177024631.db2.gz CSKHBAJDDLRGNP-VIFPVBQESA-N 1 0 234.299 1.191 10 0 BDAERO C[C@H](SCC[NH3+])C(=O)N1CCCCC1 ZINC000020422270 177026638 /nfs/dbraw/zinc/02/66/38/177026638.db2.gz SDKJTJSUBBAMAL-VIFPVBQESA-N 1 0 216.350 1.079 10 0 BDAERO C[C@H](Sc1ccccc1)C(=O)NCC[NH3+] ZINC000237545523 177029380 /nfs/dbraw/zinc/02/93/80/177029380.db2.gz HOQIVMQITSLUHB-VIFPVBQESA-N 1 0 224.329 1.242 10 0 BDAERO C[C@H](c1ccc(C[NH3+])cc1)n1cnnc1 ZINC000051332704 177032845 /nfs/dbraw/zinc/03/28/45/177032845.db2.gz CFKFGFCISJGJPA-SECBINFHSA-N 1 0 202.261 1.346 10 0 BDAERO C[C@H](c1ccc(Cl)cc1)N1CC[C@H]([NH3+])C1=O ZINC000049659929 177033280 /nfs/dbraw/zinc/03/32/80/177033280.db2.gz LHQHPHXOYAPOGY-KCJUWKMLSA-N 1 0 238.718 1.961 10 0 BDAERO C[C@H](c1ccc2c(c1)OCO2)N1CCC[NH2+]CC1 ZINC000022101724 177034990 /nfs/dbraw/zinc/03/49/90/177034990.db2.gz OEBBLUMERXFIQH-LLVKDONJSA-N 1 0 248.326 1.772 10 0 BDAERO C[C@H](c1ccc[nH]1)N(C)C[C@@H]1CCC[NH2+]1 ZINC000095068211 177035203 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C[C@H]1C[NH+](CCc2cccnc2)C[C@H](C)O1 ZINC000172069799 177256453 /nfs/dbraw/zinc/25/64/53/177256453.db2.gz ZSWNLGHMWPKATA-RYUDHWBXSA-N 1 0 220.316 1.733 10 0 BDAERO C[C@H]1CN(C[C@H]([NH3+])C(C)(C)C)CCO1 ZINC000036875069 177257928 /nfs/dbraw/zinc/25/79/28/177257928.db2.gz WCVOUIRTFLAVKT-UWVGGRQHSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@H]1CN(C[C@H]([NH3+])c2ccccc2)CCO1 ZINC000036879176 177258770 /nfs/dbraw/zinc/25/87/70/177258770.db2.gz UVDBNONSFPDSBK-AAEUAGOBSA-N 1 0 220.316 1.407 10 0 BDAERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1COC1 ZINC000287832493 177266150 /nfs/dbraw/zinc/26/61/50/177266150.db2.gz VTJNDRVXOPLTID-WFASDCNBSA-N 1 0 246.354 1.495 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1Cc1occc1C[NH3+] ZINC000052476446 177272083 /nfs/dbraw/zinc/27/20/83/177272083.db2.gz PLUBYZZHGRHQKE-ZJUUUORDSA-N 1 0 224.304 1.348 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1 ZINC000113223480 177279744 /nfs/dbraw/zinc/27/97/44/177279744.db2.gz ACGNAWJAGXLOBZ-WCQYABFASA-N 1 0 245.326 1.390 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc[nH]c1 ZINC000247169916 177280047 /nfs/dbraw/zinc/28/00/47/177280047.db2.gz KQADBOMHWJGANQ-JQWIXIFHSA-N 1 0 233.315 1.323 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(C)c1 ZINC000268689755 177280785 /nfs/dbraw/zinc/28/07/85/177280785.db2.gz OMYZGPACHILPIU-WCQYABFASA-N 1 0 247.342 1.334 10 0 BDAERO C[C@H]1C[NH+]=C(NCc2ccccn2)S1 ZINC000000063636 177281411 /nfs/dbraw/zinc/28/14/11/177281411.db2.gz SJHYOSYGOKDAHY-QMMMGPOBSA-N 1 0 207.302 1.663 10 0 BDAERO C[C@H]1C[NH2+]C(C)(C)CN1C(=O)C(F)(F)F ZINC000062611381 177281451 /nfs/dbraw/zinc/28/14/51/177281451.db2.gz CXZUOXXBIKKARK-LURJTMIESA-N 1 0 224.226 1.148 10 0 BDAERO C[C@H]1C[NH+]=C(NCc2nccs2)S1 ZINC000049534289 177281964 /nfs/dbraw/zinc/28/19/64/177281964.db2.gz PAXSXTHZCWZHAZ-LURJTMIESA-N 1 0 213.331 1.724 10 0 BDAERO C[C@H]1C[NH2+]CCCN(Cc2ccncc2)C1 ZINC000049666621 177282209 /nfs/dbraw/zinc/28/22/09/177282209.db2.gz MZVOTMAUBREYNN-LBPRGKRZSA-N 1 0 219.332 1.513 10 0 BDAERO C[C@H]1C[NH2+]CCN(Cc2ccc(F)cc2)C1 ZINC000049661667 177282597 /nfs/dbraw/zinc/28/25/97/177282597.db2.gz OYNRUAZHUBCWLX-NSHDSACASA-N 1 0 222.307 1.867 10 0 BDAERO C[C@H]1C[NH2+]CCN(CCc2ccco2)C1 ZINC000049662438 177282917 /nfs/dbraw/zinc/28/29/17/177282917.db2.gz LXQJNXIXKWCATI-NSHDSACASA-N 1 0 208.305 1.363 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)CN(c2cccnc2)C1 ZINC000049662995 177285675 /nfs/dbraw/zinc/28/56/75/177285675.db2.gz SQCULPJVQVBWDK-TXEJJXNPSA-N 1 0 219.332 1.763 10 0 BDAERO C[C@H]1COCCN1C(=O)c1cccc(C[NH3+])c1 ZINC000035773390 177291635 /nfs/dbraw/zinc/29/16/35/177291635.db2.gz ILLRSBMSQIBLHS-JTQLQIEISA-N 1 0 234.299 1.006 10 0 BDAERO C[C@@H]([C@H]([NH3+])c1ccccc1)N1CCOC[C@@H]1C ZINC000035775671 177293665 /nfs/dbraw/zinc/29/36/65/177293665.db2.gz JTFCSYGRHBXHKG-OBJOEFQTSA-N 1 0 234.343 1.796 10 0 BDAERO C[C@H]1CSC(NCCc2ccncc2)=[NH+]1 ZINC000048262863 177303280 /nfs/dbraw/zinc/30/32/80/177303280.db2.gz YXZFAEDIUIRDHY-VIFPVBQESA-N 1 0 221.329 1.705 10 0 BDAERO C[C@H]1C[C@@H](C(=O)NCc2ccc(O)cc2)CC[NH2+]1 ZINC000235693136 177308931 /nfs/dbraw/zinc/30/89/31/177308931.db2.gz PSRRIFMPKSDBOG-JQWIXIFHSA-N 1 0 248.326 1.397 10 0 BDAERO C[C@H]1C[C@@H](NN)CC[N@@H+]1Cc1ccccc1 ZINC000073656478 177333070 /nfs/dbraw/zinc/33/30/70/177333070.db2.gz TVOVGLAGYWFFAX-AAEUAGOBSA-N 1 0 219.332 1.503 10 0 BDAERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cn[nH]c1 ZINC000038006213 177333743 /nfs/dbraw/zinc/33/37/43/177333743.db2.gz GHCXEMQIRXBZSB-JFGNBEQYSA-N 1 0 222.336 1.228 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000052287729 177349718 /nfs/dbraw/zinc/34/97/18/177349718.db2.gz QLUFQCAWBMNFAC-KWQFWETISA-N 1 0 222.263 1.762 10 0 BDAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000020075326 177358759 /nfs/dbraw/zinc/35/87/59/177358759.db2.gz SDEFAJJMNSTIIT-GVXVVHGQSA-N 1 0 236.363 1.398 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cnn(C)c2)C[C@H](C)O1 ZINC000341486123 177363772 /nfs/dbraw/zinc/36/37/72/177363772.db2.gz NJFPNCMGZGTYJE-ZSBIGDGJSA-N 1 0 237.347 1.713 10 0 BDAERO C[C@H]1C[C@H]([NH3+])c2ccsc2S1(=O)=O ZINC000238856893 177364711 /nfs/dbraw/zinc/36/47/11/177364711.db2.gz XOSMBAIDAZWPRP-FSPLSTOPSA-N 1 0 217.315 1.314 10 0 BDAERO C[C@H]1C[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000052276414 177386276 /nfs/dbraw/zinc/38/62/76/177386276.db2.gz HCKDDSOQUSKDRM-MVWJERBFSA-N 1 0 244.294 1.317 10 0 BDAERO C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]1 ZINC000020285692 177386986 /nfs/dbraw/zinc/38/69/86/177386986.db2.gz XWFWZDUHQMTADY-GUBZILKMSA-N 1 0 226.320 1.604 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000282391838 177393737 /nfs/dbraw/zinc/39/37/37/177393737.db2.gz PBCVWCICNFTCKQ-YPMHNXCESA-N 1 0 232.327 1.486 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NCc1cncs1 ZINC000306573406 177397121 /nfs/dbraw/zinc/39/71/21/177397121.db2.gz ICKDOTHAMDSGPW-PSASIEDQSA-N 1 0 211.334 1.373 10 0 BDAERO C[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)[C@H]1C ZINC000050565599 177423545 /nfs/dbraw/zinc/42/35/45/177423545.db2.gz 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WKDJGCMSMSTCBX-LOWVWBTDSA-N 1 0 232.327 1.708 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494224956 226262728 /nfs/dbraw/zinc/26/27/28/226262728.db2.gz WUSJUFZXIDBLOT-SKDRFNHKSA-N 1 0 238.335 1.264 10 0 BDAERO CO[C@@H](C[N@@H+]1CCC[C@@H]1CCCO)C1CC1 ZINC000400181206 226334601 /nfs/dbraw/zinc/33/46/01/226334601.db2.gz PLZRLHOWWCUUKS-OLZOCXBDSA-N 1 0 227.348 1.648 10 0 BDAERO C[C@H]1CC[C@H](C[N@@H+]2C[C@H](C)C[C@H](O)C2)O1 ZINC000401885216 226362835 /nfs/dbraw/zinc/36/28/35/226362835.db2.gz DWEGJOCXLUSIMV-NOOOWODRSA-N 1 0 213.321 1.257 10 0 BDAERO Cc1csc(Cn2cc(C(C)(C)[NH3+])nn2)n1 ZINC000087396397 487654880 /nfs/dbraw/zinc/65/48/80/487654880.db2.gz KJADVFISQOHAFI-UHFFFAOYSA-N 1 0 237.332 1.285 10 0 BDAERO CC1(C)C[N@H+](C[C@@H]2CCC[C@H](O)C2)CC[C@@H]1O ZINC000383670567 487660658 /nfs/dbraw/zinc/66/06/58/487660658.db2.gz LOUSHHHFJAUVPJ-AGIUHOORSA-N 1 0 241.375 1.630 10 0 BDAERO C[C@@H]([NH2+][C@H]1CC[C@@H](O)C1)c1nccs1 ZINC000306349908 229391868 /nfs/dbraw/zinc/39/18/68/229391868.db2.gz VCAHQEJDESZFDZ-HRDYMLBCSA-N 1 0 212.318 1.707 10 0 BDAERO Cc1nc2ccccc2nc1NC[C@H](C)[NH3+] ZINC000082575620 487678207 /nfs/dbraw/zinc/67/82/07/487678207.db2.gz ZFVRHZDFXGYMDK-QMMMGPOBSA-N 1 0 216.288 1.697 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000054075002 487682542 /nfs/dbraw/zinc/68/25/42/487682542.db2.gz HSKTXUSKBLADHN-BDAKNGLRSA-N 1 0 200.326 1.487 10 0 BDAERO CC[C@H](NC(=O)[C@@H](C)[NH2+]C)c1ccccc1 ZINC000054076941 487684343 /nfs/dbraw/zinc/68/43/43/487684343.db2.gz BNMXULVNWORCMB-PWSUYJOCSA-N 1 0 220.316 1.862 10 0 BDAERO CN1CCC[C@H]1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000226249913 487693171 /nfs/dbraw/zinc/69/31/71/487693171.db2.gz BXGXNLVYPHOSOX-YNEHKIRRSA-N 1 0 226.364 1.316 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000398771601 262769386 /nfs/dbraw/zinc/76/93/86/262769386.db2.gz HEJDFEJWMHOODK-SGMGOOAPSA-N 1 0 232.327 1.674 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCC1(O)CCC1 ZINC000399317635 262781884 /nfs/dbraw/zinc/78/18/84/262781884.db2.gz GOUOUFQQKPJVAP-QWRGUYRKSA-N 1 0 213.321 1.137 10 0 BDAERO Cc1cnc(NCC2(C)CC[NH2+]CC2)nc1C ZINC000395297032 262786174 /nfs/dbraw/zinc/78/61/74/262786174.db2.gz RIBOFBPXLJNZRT-UHFFFAOYSA-N 1 0 234.347 1.895 10 0 BDAERO CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCC[C@H]1O ZINC000226280729 487706735 /nfs/dbraw/zinc/70/67/35/487706735.db2.gz AAEBMXXXEQFPOH-IJLUTSLNSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@@H]1CC[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)O1 ZINC000088142734 487706400 /nfs/dbraw/zinc/70/64/00/487706400.db2.gz BYHRAJZSLUTRDU-HRDYMLBCSA-N 1 0 223.276 1.734 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000226285259 487706458 /nfs/dbraw/zinc/70/64/58/487706458.db2.gz KFTYAFQHNCMVBI-BFHYXJOUSA-N 1 0 238.375 1.460 10 0 BDAERO CC[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291062 487709343 /nfs/dbraw/zinc/70/93/43/487709343.db2.gz QXQXVVZTGPRSRX-NWDGAFQWSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306135 487714045 /nfs/dbraw/zinc/71/40/45/487714045.db2.gz RDWWTHUACHDGHF-MNOVXSKESA-N 1 0 224.348 1.633 10 0 BDAERO CCN(CC[NH3+])c1ncncc1Br ZINC000085480631 487718479 /nfs/dbraw/zinc/71/84/79/487718479.db2.gz PTRCJDYMWDMERH-UHFFFAOYSA-N 1 0 245.124 1.024 10 0 BDAERO CC[C@@H]1COCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000309806441 487724648 /nfs/dbraw/zinc/72/46/48/487724648.db2.gz XTPTWDJEGFJULZ-XQQFMLRXSA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCOC1CCCC1 ZINC000136466294 487737023 /nfs/dbraw/zinc/73/70/23/487737023.db2.gz VTBAOIRJAXXKJO-GFCCVEGCSA-N 1 0 242.363 1.435 10 0 BDAERO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250602964 487736931 /nfs/dbraw/zinc/73/69/31/487736931.db2.gz KNSXMECWLUZVFH-CLLJXQQHSA-N 1 0 236.359 1.491 10 0 BDAERO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250704394 487737699 /nfs/dbraw/zinc/73/76/99/487737699.db2.gz DNICQMWSDYSKMO-FVCCEPFGSA-N 1 0 236.359 1.491 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCS1 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CCC[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251329767 487754132 /nfs/dbraw/zinc/75/41/32/487754132.db2.gz NCZKIPCPUNQCTQ-DCAQKATOSA-N 1 0 212.337 1.666 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000321602545 487755187 /nfs/dbraw/zinc/75/51/87/487755187.db2.gz YGGKNQQTJFTTJP-FDYHWXHSSA-N 1 0 226.364 1.341 10 0 BDAERO Cc1noc2ncnc(N[C@H]3CCC[C@@H]3C[NH3+])c12 ZINC000089106190 487761123 /nfs/dbraw/zinc/76/11/23/487761123.db2.gz OSEAXNDFEWGTFA-BDAKNGLRSA-N 1 0 247.302 1.466 10 0 BDAERO CC(C)n1ncnc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000089169488 487765153 /nfs/dbraw/zinc/76/51/53/487765153.db2.gz QJBOSDRDPMQDJL-GHMZBOCLSA-N 1 0 238.335 1.110 10 0 BDAERO C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251565661 487769639 /nfs/dbraw/zinc/76/96/39/487769639.db2.gz AMGACVKLBRIHRB-RHYQMDGZSA-N 1 0 224.348 1.666 10 0 BDAERO C[C@H]1CSCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000307243967 487776650 /nfs/dbraw/zinc/77/66/50/487776650.db2.gz UEVOOLNDHJIRSA-GMTAPVOTSA-N 1 0 215.362 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240.347 1.189 10 0 BDAERO Cn1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cn1 ZINC000122828001 490177993 /nfs/dbraw/zinc/17/79/93/490177993.db2.gz SMBGOBIPTWZVST-ZDUSSCGKSA-N 1 0 245.330 1.281 10 0 BDAERO c1cnc2ccc(N3CC[NH2+]CC3)nc2c1 ZINC000222961021 490246121 /nfs/dbraw/zinc/24/61/21/490246121.db2.gz ISTXQLWLDDBPPO-UHFFFAOYSA-N 1 0 214.272 1.039 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cnn(C)c1 ZINC000217455466 490442324 /nfs/dbraw/zinc/44/23/24/490442324.db2.gz JKMZTPHLRBPNSG-ZMLRMANQSA-N 1 0 223.320 1.374 10 0 BDAERO Cc1nn(C)cc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000125994848 490477545 /nfs/dbraw/zinc/47/75/45/490477545.db2.gz BMMRPUKYIPDVBK-RYUDHWBXSA-N 1 0 223.320 1.122 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000136405411 490562571 /nfs/dbraw/zinc/56/25/71/490562571.db2.gz ORKOSUIVVXBLSB-WCQYABFASA-N 1 0 249.358 1.974 10 0 BDAERO COCC[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086931190 491065197 /nfs/dbraw/zinc/06/51/97/491065197.db2.gz NDFNEBATMXXYJQ-NWDGAFQWSA-N 1 0 212.337 1.191 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)[C@@H]2CCO[C@@H]21 ZINC000085635091 491050476 /nfs/dbraw/zinc/05/04/76/491050476.db2.gz AIXXLQWMKSMOND-SJHCENCUSA-N 1 0 239.359 1.693 10 0 BDAERO C[C@@H]([N@H+](C)C[C@@H]1CCCN1C)C(C)(C)O ZINC000395291338 491051662 /nfs/dbraw/zinc/05/16/62/491051662.db2.gz GMZCXOIFRJERCH-MNOVXSKESA-N 1 0 214.353 1.172 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CCOC1 ZINC000303393968 491114953 /nfs/dbraw/zinc/11/49/53/491114953.db2.gz PARHAHGBCMWXRU-LPWJVIDDSA-N 1 0 227.348 1.695 10 0 BDAERO CC(C)N1CCC2(C[C@H]3CC[C@@H](C2)[NH2+]3)OC1=O ZINC000409433821 491119634 /nfs/dbraw/zinc/11/96/34/491119634.db2.gz UIPBGHNDFUUTFE-QYJAPNMZSA-N 1 0 238.331 1.890 10 0 BDAERO CC[C@H](C)C[NH2+]C1CCN(CCO)CC1 ZINC000309244139 491146608 /nfs/dbraw/zinc/14/66/08/491146608.db2.gz YWJIYGBOCQCLBI-NSHDSACASA-N 1 0 214.353 1.079 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ncncc2Cl)C1 ZINC000309482165 491149472 /nfs/dbraw/zinc/14/94/72/491149472.db2.gz 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230.333 1.241 10 0 BDAERO C[C@H](N1CCC[C@]12CC[NH2+]C2)C(F)(F)F ZINC000757134053 582510134 /nfs/dbraw/zinc/51/01/34/582510134.db2.gz KIZKSHBXSPAIGS-DTWKUNHWSA-N 1 0 222.254 1.765 10 0 BDAERO C1CC[C@@H]2COC3(CC[NH2+]CC3)N[C@@H]2C1 ZINC000757138668 582518310 /nfs/dbraw/zinc/51/83/10/582518310.db2.gz CYVQUGFXWWUVOL-GHMZBOCLSA-N 1 0 210.321 1.245 10 0 BDAERO CC1(C)C[NH2+][C@@]2(CCSC2)O[C@@]12CCOC2 ZINC000757146056 582529725 /nfs/dbraw/zinc/52/97/25/582529725.db2.gz QCOYWPALNDINOJ-NEPJUHHUSA-N 1 0 243.372 1.625 10 0 BDAERO CC1(C)C[C@]2(CO1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757148412 582532540 /nfs/dbraw/zinc/53/25/40/582532540.db2.gz ULOUDMZXDDQBQC-NEPJUHHUSA-N 1 0 227.304 1.051 10 0 BDAERO CC(C)[C@H]1OC2(CC[NH+](C)CC2)NCC12CC2 ZINC000757150124 582533885 /nfs/dbraw/zinc/53/38/85/582533885.db2.gz XCMOBONURINNNY-GFCCVEGCSA-N 1 0 238.375 1.833 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ncnc2ccsc21 ZINC000757150685 582534982 /nfs/dbraw/zinc/53/49/82/582534982.db2.gz PPXDBZNZEOGZGY-SSDOTTSWSA-N 1 0 220.301 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CC(=O)CC[N@@H+]1CCCN(C2CC2)CC1 ZINC000172543922 534724289 /nfs/dbraw/zinc/72/42/89/534724289.db2.gz IVBQZQKBFVXUPE-UHFFFAOYSA-N 1 0 210.321 1.136 10 0 BDAERO C[C@H]1C[N@H+](C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000252475252 524560742 /nfs/dbraw/zinc/56/07/42/524560742.db2.gz WVKQWWLNMFYSHO-VHSXEESVSA-N 1 0 228.336 1.851 10 0 BDAERO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H](C)[NH3+] ZINC000011919647 525613004 /nfs/dbraw/zinc/61/30/04/525613004.db2.gz NDKQSZVGDWFKGS-LDWIPMOCSA-N 1 0 237.255 1.263 10 0 BDAERO Cc1ccc(-c2noc(CCCC[NH3+])n2)n1C ZINC000229003006 525874368 /nfs/dbraw/zinc/87/43/68/525874368.db2.gz LSSMBMQVZXIKSQ-UHFFFAOYSA-N 1 0 234.303 1.665 10 0 BDAERO CC1(C)C[C@H]1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000232861671 534905672 /nfs/dbraw/zinc/90/56/72/534905672.db2.gz BRCKHSHVDFJOSF-WDEREUQCSA-N 1 0 238.375 1.927 10 0 BDAERO COC(=O)[C@@H](C)C[N@H+](C)[C@H]1CCSC1 ZINC000252448022 536438433 /nfs/dbraw/zinc/43/84/33/536438433.db2.gz RFJARNGNQURFFZ-IUCAKERBSA-N 1 0 217.334 1.233 10 0 BDAERO 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BDAERO CCCC(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669381106 566424686 /nfs/dbraw/zinc/42/46/86/566424686.db2.gz YAZAVHLYGPYROC-SECBINFHSA-N 1 0 208.252 1.275 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000252811812 566442572 /nfs/dbraw/zinc/44/25/72/566442572.db2.gz OZRWPIFZJKXHNA-STQMWFEESA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)(C)OC(=O)[C@H](C[NH3+])C[C@H]1CCOC1 ZINC000232497983 566490872 /nfs/dbraw/zinc/49/08/72/566490872.db2.gz LYNLEKWJNJVKNX-ZJUUUORDSA-N 1 0 229.320 1.330 10 0 BDAERO C[C@H]1CC[C@@H](CNc2ncccn2)[N@@H+]1C ZINC000382152799 566492881 /nfs/dbraw/zinc/49/28/81/566492881.db2.gz QABZUPIBYUOLAM-UWVGGRQHSA-N 1 0 206.293 1.371 10 0 BDAERO CCOc1ccc([C@H]2C[NH2+]C[C@]2(N)CC)cc1 ZINC000725262693 566308672 /nfs/dbraw/zinc/30/86/72/566308672.db2.gz CUTKBAGJQFQJNW-ZIAGYGMSSA-N 1 0 234.343 1.880 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1)C(N)=O ZINC000107322962 582459835 /nfs/dbraw/zinc/45/98/35/582459835.db2.gz HMAKOBNZHAYGNQ-LLVKDONJSA-N 1 0 224.279 1.425 10 0 BDAERO CO[C@H](C)[C@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757125815 582500646 /nfs/dbraw/zinc/50/06/46/582500646.db2.gz GCFDIIYIUWFISM-APPZFPTMSA-N 1 0 230.333 1.021 10 0 BDAERO C[NH2+]Cc1sc(C(=O)[C@H](C)OC)nc1C ZINC000757126139 582500666 /nfs/dbraw/zinc/50/06/66/582500666.db2.gz VIFKJDGVFRMTAO-ZETCQYMHSA-N 1 0 228.317 1.389 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757133370 582509591 /nfs/dbraw/zinc/50/95/91/582509591.db2.gz VTYRMXIOUXBBRG-BWVDBABLSA-N 1 0 212.318 1.334 10 0 BDAERO FC(F)[C@H]1CC[NH2+][C@]2(CCCOC2)O1 ZINC000757139803 582520308 /nfs/dbraw/zinc/52/03/08/582520308.db2.gz HLVLZDAMFDHHGP-VXNVDRBHSA-N 1 0 207.220 1.137 10 0 BDAERO C1CC12C[NH2+][C@]1(CCCOC1)OC21CCC1 ZINC000757140500 582521007 /nfs/dbraw/zinc/52/10/07/582521007.db2.gz JHVQWJQAYXHLIG-CYBMUJFWSA-N 1 0 223.316 1.816 10 0 BDAERO FCC1(CF)CC2(C1)[NH2+]CC1(COC1)CO2 ZINC000757141001 582521684 /nfs/dbraw/zinc/52/16/84/582521684.db2.gz KKYITCPDRRSRQM-UHFFFAOYSA-N 1 0 233.258 1.038 10 0 BDAERO CC(C)[C@H]1C[NH2+][C@]2(COC(C)(C)C2)OC1 ZINC000757141963 582522672 /nfs/dbraw/zinc/52/26/72/582522672.db2.gz CRTXUEOVPGCCHL-JQWIXIFHSA-N 1 0 213.321 1.774 10 0 BDAERO CC[C@H]1CC[NH2+]C2(CCSCC2)O1 ZINC000757143198 582523436 /nfs/dbraw/zinc/52/34/36/582523436.db2.gz MFEATOQOWROFFP-VIFPVBQESA-N 1 0 201.335 1.998 10 0 BDAERO COC1(CN2CC[C@@H]2C[NH3+])CCCCC1 ZINC000757143699 582524024 /nfs/dbraw/zinc/52/40/24/582524024.db2.gz HMXQPKOHSJUPNM-LLVKDONJSA-N 1 0 212.337 1.369 10 0 BDAERO CC[C@@]1(C)CCO[C@]2(CN3CCC2CC3)[NH2+]1 ZINC000757145380 582527442 /nfs/dbraw/zinc/52/74/42/582527442.db2.gz IEWSWYXOGMFYIG-STQMWFEESA-N 1 0 224.348 1.587 10 0 BDAERO CN1CC[C@]2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757146047 582528869 /nfs/dbraw/zinc/52/88/69/582528869.db2.gz QZFKWASODHOIPL-LBPRGKRZSA-N 1 0 210.321 1.198 10 0 BDAERO CC1(C)CC[NH2+]C2(CCN(C3CC3)CC2)O1 ZINC000757146932 582530409 /nfs/dbraw/zinc/53/04/09/582530409.db2.gz KTOXNXVXRNZFKT-UHFFFAOYSA-N 1 0 224.348 1.729 10 0 BDAERO CCC[C@H]1CC[NH2+][C@@]2(CCSC2)O1 ZINC000757150096 582533823 /nfs/dbraw/zinc/53/38/23/582533823.db2.gz PBDRINRHRQNIQB-UWVGGRQHSA-N 1 0 201.335 1.998 10 0 BDAERO FC(F)[C@H]1CC[NH2+][C@@]2(CN3CCC2CC3)O1 ZINC000757150052 582534103 /nfs/dbraw/zinc/53/41/03/582534103.db2.gz WQAWEMOXOYSEBF-KOLCDFICSA-N 1 0 232.274 1.052 10 0 BDAERO C1C[C@]2(C[NH2+]1)NC1(CCCCC1)CCO2 ZINC000757152505 582536512 /nfs/dbraw/zinc/53/65/12/582536512.db2.gz SNYRZLPHZBTQRU-LBPRGKRZSA-N 1 0 210.321 1.389 10 0 BDAERO C1CC1[C@@H]1C[NH2+][C@]2(CN3CCC2CC3)OC1 ZINC000757152783 582537409 /nfs/dbraw/zinc/53/74/09/582537409.db2.gz UWVORWWIFBLYKY-DGCLKSJQSA-N 1 0 222.332 1.054 10 0 BDAERO CC[NH+]1CCC2(CC1)[NH2+]C[C@H](C(C)C)CO2 ZINC000757153898 582538454 /nfs/dbraw/zinc/53/84/54/582538454.db2.gz YJLVFEZJEGASQA-LBPRGKRZSA-N 1 0 226.364 1.690 10 0 BDAERO C[NH2+][C@H](CO)CCSCc1occc1C ZINC000757165055 582546387 /nfs/dbraw/zinc/54/63/87/582546387.db2.gz DOZUTAAMNTUBNO-JTQLQIEISA-N 1 0 229.345 1.792 10 0 BDAERO 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Cc1ccc2c(nn3c2nccc3C[NH3+])n1 ZINC000235765989 582607586 /nfs/dbraw/zinc/60/75/86/582607586.db2.gz MMESGRIRIVCPCA-UHFFFAOYSA-N 1 0 213.244 1.045 10 0 BDAERO Cc1ccc(C)c([C@@H]2CC[NH+]=C(N)N2)c1 ZINC000235877467 582618500 /nfs/dbraw/zinc/61/85/00/582618500.db2.gz WKRCOGJHXUMCFE-NSHDSACASA-N 1 0 203.289 1.653 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@H]2c1ccncc1 ZINC000236046483 582637836 /nfs/dbraw/zinc/63/78/36/582637836.db2.gz GGLKSBDTQKLZFZ-NSHDSACASA-N 1 0 214.272 1.992 10 0 BDAERO CC[C@@H]1C[N@H+](CCC(C)=O)CCN1CCOC ZINC000106116483 582641748 /nfs/dbraw/zinc/64/17/48/582641748.db2.gz MEJKWFQRKJULQR-CYBMUJFWSA-N 1 0 242.363 1.008 10 0 BDAERO Nc1[nH+]ccn1Cc1c(F)cccc1F ZINC000037483184 582674939 /nfs/dbraw/zinc/67/49/39/582674939.db2.gz CBXAUTGRKZLYDB-UHFFFAOYSA-N 1 0 209.199 1.792 10 0 BDAERO Cc1cccc2c1NC(=O)O[C@]21CC[NH2+]C1 ZINC000259474639 582834108 /nfs/dbraw/zinc/83/41/08/582834108.db2.gz OEJMGRSBVTYOSB-LBPRGKRZSA-N 1 0 218.256 1.746 10 0 BDAERO CC[NH2+]C[C@H](O)c1cc(C(F)(F)F)nn1C ZINC000705313791 582954543 /nfs/dbraw/zinc/95/45/43/582954543.db2.gz DLMORZJDZJDFIS-ZETCQYMHSA-N 1 0 237.225 1.082 10 0 BDAERO C[C@@H](C[NH3+])[C@@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394488683 582987096 /nfs/dbraw/zinc/98/70/96/582987096.db2.gz PWSNUFDGVFHUSK-SMDDNHRTSA-N 1 0 245.326 1.560 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc[nH]c1=O ZINC000888094797 583180283 /nfs/dbraw/zinc/18/02/83/583180283.db2.gz CNSDPRVKBSJZCM-NXEZZACHSA-N 1 0 249.314 1.633 10 0 BDAERO c1cc2c(o1)[C@]1(CN3CCC1CC3)[NH2+]CC2 ZINC000703133146 585029964 /nfs/dbraw/zinc/02/99/64/585029964.db2.gz XCYHKUXYQAVVKA-CYBMUJFWSA-N 1 0 218.300 1.346 10 0 BDAERO C(CCC1CCOCC1)COC1C[NH2+]C1 ZINC000300760298 585591626 /nfs/dbraw/zinc/59/16/26/585591626.db2.gz NNJAPCQKKGUUFG-UHFFFAOYSA-N 1 0 213.321 1.572 10 0 BDAERO Nc1cc2n(n1)CCC[C@@H]2c1cccc(C[NH3+])c1 ZINC000757572939 586382155 /nfs/dbraw/zinc/38/21/55/586382155.db2.gz VRPRIFKKGIBOMA-GFCCVEGCSA-N 1 0 242.326 1.850 10 0 BDAERO C[C@@H](F)C[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757129019 586426290 /nfs/dbraw/zinc/42/62/90/586426290.db2.gz KQDDLNSMCGTOFI-DGCLKSJQSA-N 1 0 226.339 1.905 10 0 BDAERO CC(C)(C)[C@@H]1CCO[C@]2(CCC[NH2+]C2)N1 ZINC000757138952 586427536 /nfs/dbraw/zinc/42/75/36/586427536.db2.gz AEVAMCDCKKJHKY-JQWIXIFHSA-N 1 0 212.337 1.491 10 0 BDAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]C1(COC1)CCO2 ZINC000757145781 586428367 /nfs/dbraw/zinc/42/83/67/586428367.db2.gz IRSDKMZZHPVXDD-PJXYFTJBSA-N 1 0 225.332 1.918 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])CS(=O)(=O)N(CC)CC ZINC000757154042 586429597 /nfs/dbraw/zinc/42/95/97/586429597.db2.gz UTOIOGTWIBRYFA-NXEZZACHSA-N 1 0 236.381 1.031 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000757185484 586434262 /nfs/dbraw/zinc/43/42/62/586434262.db2.gz VYMACDLAMYSHDV-NEPJUHHUSA-N 1 0 234.299 1.135 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2CCC[NH2+][C@@H]2C(=O)[O-])cc1 ZINC000757206861 586437347 /nfs/dbraw/zinc/43/73/47/586437347.db2.gz AQAFHFGWBOLBCM-RYUDHWBXSA-N 1 0 234.299 1.066 10 0 BDAERO [NH3+]Cc1cccc([C@H]2CC[C@@H](C(=O)[O-])C[NH2+]2)c1 ZINC000757206904 586437548 /nfs/dbraw/zinc/43/75/48/586437548.db2.gz AQIWITONUNKAOE-VXGBXAGGSA-N 1 0 234.299 1.271 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN[C@H]1c1cccc(N)c1 ZINC000757208645 586437846 /nfs/dbraw/zinc/43/78/46/586437846.db2.gz AKIQZIONGWSEJP-GGZOMVNGSA-N 1 0 205.305 1.267 10 0 BDAERO CCOC(=O)[C@@H]1CC[C@H](C2CCOCC2)[NH2+]C1 ZINC000757213114 586439553 /nfs/dbraw/zinc/43/95/53/586439553.db2.gz OBMMIPRNWUTJMY-VXGBXAGGSA-N 1 0 241.331 1.344 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cccc(C(=O)[O-])c2)[NH2+]1 ZINC000757215188 586440300 /nfs/dbraw/zinc/44/03/00/586440300.db2.gz MSLZNFHSHVQSMC-OASPWFOLSA-N 1 0 248.326 1.773 10 0 BDAERO [NH3+]CC[C@H]1CC[C@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757216067 586440844 /nfs/dbraw/zinc/44/08/44/586440844.db2.gz OYEZZXAYJIWLQB-ZWNOBZJWSA-N 1 0 248.326 1.774 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2CC[C@H](C(=O)[O-])[NH2+]C2)cc1 ZINC000757217145 586441082 /nfs/dbraw/zinc/44/10/82/586441082.db2.gz RITIINJTCYGUIS-VXGBXAGGSA-N 1 0 234.299 1.066 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757219998 586442225 /nfs/dbraw/zinc/44/22/25/586442225.db2.gz ZSERAYIDWPRVBB-BXKDBHETSA-N 1 0 234.299 1.384 10 0 BDAERO [NH3+][C@@H]1CC[C@H](c2ccc(C=O)s2)NC1 ZINC000757220811 586442371 /nfs/dbraw/zinc/44/23/71/586442371.db2.gz ZNUHAIHLLBYYAY-VXNVDRBHSA-N 1 0 210.302 1.312 10 0 BDAERO C[C@@H]1C[C@H](c2cccc(N)c2)NC[C@H]1[NH3+] ZINC000757219559 586442385 /nfs/dbraw/zinc/44/23/85/586442385.db2.gz YZGQIVIUTCPPDS-GGZOMVNGSA-N 1 0 205.305 1.267 10 0 BDAERO Cc1sc([C@H]2NCCC[C@@H]2[NH3+])cc1C(=O)[O-] ZINC000757227477 586442763 /nfs/dbraw/zinc/44/27/63/586442763.db2.gz BVWUSTIEMRRVIF-WPRPVWTQSA-N 1 0 240.328 1.507 10 0 BDAERO CC(C)(C)n1cc([C@@H]2CC[C@@H](CN)[NH2+]C2)cn1 ZINC000757227127 586442884 /nfs/dbraw/zinc/44/28/84/586442884.db2.gz AWFJZYPERWUJHL-PWSUYJOCSA-N 1 0 236.363 1.432 10 0 BDAERO C[C@@H]1N[C@H](c2cnn(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000757239468 586444205 /nfs/dbraw/zinc/44/42/05/586444205.db2.gz UINLNCNTUHHCJA-DLOVCJGASA-N 1 0 236.363 1.778 10 0 BDAERO C[C@@H]1N[C@H](c2cnn(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000757239482 586444219 /nfs/dbraw/zinc/44/42/19/586444219.db2.gz UINLNCNTUHHCJA-WCQGTBRESA-N 1 0 236.363 1.778 10 0 BDAERO CN(C)CC(=O)OCC(C)(C)Br ZINC000757547151 586459572 /nfs/dbraw/zinc/45/95/72/586459572.db2.gz DNFJSRHSWAXYFZ-UHFFFAOYSA-N 1 0 238.125 1.265 10 0 BDAERO Nc1cc(F)cnc1-c1cccc(C[NH3+])c1 ZINC000757570035 586462554 /nfs/dbraw/zinc/46/25/54/586462554.db2.gz ALJGBURCNHPPLT-UHFFFAOYSA-N 1 0 217.247 1.929 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC000104770318 588027200 /nfs/dbraw/zinc/02/72/00/588027200.db2.gz CCFLPBIYJVNRNP-GFCCVEGCSA-N 1 0 239.363 1.476 10 0 BDAERO Cc1nn(-c2ccc(C)cc2)cc1C(N)=[NH2+] ZINC000107394784 588356346 /nfs/dbraw/zinc/35/63/46/588356346.db2.gz XTRBPCIEMZGQEY-UHFFFAOYSA-N 1 0 214.272 1.773 10 0 BDAERO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C2CC2)C1 ZINC000108147298 588440975 /nfs/dbraw/zinc/44/09/75/588440975.db2.gz NRXPCNUSSGXIMD-SKDRFNHKSA-N 1 0 210.321 1.385 10 0 BDAERO CC(C)[N@H+](C)CCNC(=O)N1CCCCC1 ZINC000122053047 589551730 /nfs/dbraw/zinc/55/17/30/589551730.db2.gz QVNODIUIDCRGLJ-UHFFFAOYSA-N 1 0 227.352 1.522 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)nc2)C1 ZINC000122142805 589557325 /nfs/dbraw/zinc/55/73/25/589557325.db2.gz FCGIGFZMAQGYRI-SFYZADRCSA-N 1 0 239.706 1.801 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000122786557 589632064 /nfs/dbraw/zinc/63/20/64/589632064.db2.gz ZPLNXQSITIKOBC-LBPRGKRZSA-N 1 0 224.304 1.090 10 0 BDAERO CNC(=S)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000124315464 589974652 /nfs/dbraw/zinc/97/46/52/589974652.db2.gz YZUYSBPOIWLNTC-VHSXEESVSA-N 1 0 227.377 1.049 10 0 BDAERO OCC[C@H]1CC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000124578828 590059170 /nfs/dbraw/zinc/05/91/70/590059170.db2.gz GZBVDTUQIJVZBK-UKRRQHHQSA-N 1 0 249.354 1.814 10 0 BDAERO Clc1cncc(NC[C@H]2CC[NH2+]C2)n1 ZINC000126510352 590323478 /nfs/dbraw/zinc/32/34/78/590323478.db2.gz GXOGCIIRZSMPEY-ZETCQYMHSA-N 1 0 212.684 1.151 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000126490353 590320930 /nfs/dbraw/zinc/32/09/30/590320930.db2.gz WMUKYUQAFNXROB-RKDXNWHRSA-N 1 0 240.738 1.694 10 0 BDAERO CCCCC[C@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000127758184 590770091 /nfs/dbraw/zinc/77/00/91/590770091.db2.gz OMFAWJOXBFWGTH-NSHDSACASA-N 1 0 242.363 1.579 10 0 BDAERO CCCCC[C@@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000127757933 590770360 /nfs/dbraw/zinc/77/03/60/590770360.db2.gz OMFAWJOXBFWGTH-LLVKDONJSA-N 1 0 242.363 1.579 10 0 BDAERO CO[C@@]1(C[NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000211117951 591124584 /nfs/dbraw/zinc/12/45/84/591124584.db2.gz PRXLOMQYAMFGDD-GFCCVEGCSA-N 1 0 244.335 1.361 10 0 BDAERO C[C@@H]([NH2+]CC[S@](C)=O)c1ccc(F)c(F)c1 ZINC000128675973 591148031 /nfs/dbraw/zinc/14/80/31/591148031.db2.gz YFNDMYZITUFEDO-VPTHRUTESA-N 1 0 247.310 1.994 10 0 BDAERO Cc1ccc2oc(N(C)C[C@H](C)[NH3+])nc2c1 ZINC000212295425 591344917 /nfs/dbraw/zinc/34/49/17/591344917.db2.gz PPNWSNNMCKNXMT-VIFPVBQESA-N 1 0 219.288 1.920 10 0 BDAERO CC[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)C(C)C ZINC000129839026 591412308 /nfs/dbraw/zinc/41/23/08/591412308.db2.gz AQXJBOPXZLJOLC-GHMZBOCLSA-N 1 0 212.337 1.665 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1nc2c(cccc2F)o1 ZINC000212549803 591413596 /nfs/dbraw/zinc/41/35/96/591413596.db2.gz HXGNANZNLVSYJX-SSDOTTSWSA-N 1 0 223.251 1.750 10 0 BDAERO C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000129893641 591417461 /nfs/dbraw/zinc/41/74/61/591417461.db2.gz DQNXRFLXCWEKON-BXKDBHETSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H]1CN(C(=O)N2CCCC2)C[C@@H]1[NH+](C)C ZINC000130422919 591466817 /nfs/dbraw/zinc/46/68/17/591466817.db2.gz XWTZGDHKYHOJDW-QWRGUYRKSA-N 1 0 225.336 1.084 10 0 BDAERO C[NH2+]CCCc1nc([C@H](OC)C2CC2)no1 ZINC000131245222 591577767 /nfs/dbraw/zinc/57/77/67/591577767.db2.gz HTPANXGCYUFVCU-SNVBAGLBSA-N 1 0 225.292 1.319 10 0 BDAERO CO[C@@H](c1noc([C@@H]2CC[NH2+]C2)n1)C1CC1 ZINC000131256737 591578822 /nfs/dbraw/zinc/57/88/22/591578822.db2.gz DAABKLNWCCHWDR-RKDXNWHRSA-N 1 0 223.276 1.244 10 0 BDAERO Cc1cccc(C(=O)NCC2CC([NH3+])C2)c1F ZINC000132371137 591705967 /nfs/dbraw/zinc/70/59/67/591705967.db2.gz BXBVQOQFOGHXQQ-UHFFFAOYSA-N 1 0 236.290 1.601 10 0 BDAERO CCCCCCC(=O)NCC1CC([NH3+])C1 ZINC000133915105 591869113 /nfs/dbraw/zinc/86/91/13/591869113.db2.gz CFFMGOUGFWBVJF-UHFFFAOYSA-N 1 0 212.337 1.810 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N1CCCC1 ZINC000135581472 592021952 /nfs/dbraw/zinc/02/19/52/592021952.db2.gz XRPCEFVSRXBLSW-LBPRGKRZSA-N 1 0 239.363 1.618 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1C(N)=O ZINC000136304479 592105549 /nfs/dbraw/zinc/10/55/49/592105549.db2.gz XEGDOBODQRATFS-SNVBAGLBSA-N 1 0 249.314 1.097 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1cccnc1 ZINC000136364805 592108512 /nfs/dbraw/zinc/10/85/12/592108512.db2.gz ZPKPAKHJKMWTHA-LBPRGKRZSA-N 1 0 235.331 1.114 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1COc2ccccc21 ZINC000136468004 592128668 /nfs/dbraw/zinc/12/86/68/592128668.db2.gz NUMQLDDWPULUBS-NEPJUHHUSA-N 1 0 248.326 1.610 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(F)ncn1 ZINC000136904056 592152696 /nfs/dbraw/zinc/15/26/96/592152696.db2.gz PONXLVZHTCUENE-JTQLQIEISA-N 1 0 238.310 1.536 10 0 BDAERO CC(C)CN1C[C@@]2(CCC[NH2+]C2)OC1=O ZINC000220632820 592319016 /nfs/dbraw/zinc/31/90/16/592319016.db2.gz UNOILLPIHGWHIF-NSHDSACASA-N 1 0 212.293 1.217 10 0 BDAERO CC1(C)CCC[C@](C[NH3+])(OCCO)C1 ZINC000300029430 592499804 /nfs/dbraw/zinc/49/98/04/592499804.db2.gz IKANHXMXJTUCEW-NSHDSACASA-N 1 0 201.310 1.293 10 0 BDAERO CCO[C@H](C[NH3+])c1ncc(Cl)s1 ZINC000223298011 592526882 /nfs/dbraw/zinc/52/68/82/592526882.db2.gz FETPKCXOIQJIGZ-RXMQYKEDSA-N 1 0 206.698 1.833 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000299898260 634400726 /nfs/dbraw/zinc/40/07/26/634400726.db2.gz WIZGYONDVGROKQ-DLOVCJGASA-N 1 0 218.300 1.836 10 0 BDAERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000313115513 634452361 /nfs/dbraw/zinc/45/23/61/634452361.db2.gz IFEKRGYBUFSJDN-DCAQKATOSA-N 1 0 213.321 1.305 10 0 BDAERO C[NH2+]CCc1noc(Cc2ccco2)n1 ZINC000258142599 634576621 /nfs/dbraw/zinc/57/66/21/634576621.db2.gz VOGLKIYYROEONF-UHFFFAOYSA-N 1 0 207.233 1.015 10 0 BDAERO NC1=[NH+]CC[C@H](c2c(F)cccc2F)N1 ZINC000149857601 634593234 /nfs/dbraw/zinc/59/32/34/634593234.db2.gz SUBUIRRJCNPZCY-MRVPVSSYSA-N 1 0 211.215 1.314 10 0 BDAERO CC(C)n1cc(C[NH2+][C@@H](C)[C@H](C)O)cn1 ZINC000336762414 635284058 /nfs/dbraw/zinc/28/40/58/635284058.db2.gz ODDPNFUNPGZKDV-UWVGGRQHSA-N 1 0 211.309 1.323 10 0 BDAERO COCCCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000095037921 635412134 /nfs/dbraw/zinc/41/21/34/635412134.db2.gz COXBBAJDRFPEHZ-JTQLQIEISA-N 1 0 239.319 1.191 10 0 BDAERO CCCCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232949443 635522778 /nfs/dbraw/zinc/52/27/78/635522778.db2.gz ICRQISYPZPHJTA-IJLUTSLNSA-N 1 0 226.364 1.927 10 0 BDAERO [NH3+]C1CC(CNc2nccc3occc32)C1 ZINC000236193243 635597530 /nfs/dbraw/zinc/59/75/30/635597530.db2.gz KLLGMFDEIPYCBH-UHFFFAOYSA-N 1 0 217.272 1.977 10 0 BDAERO Cc1cc(NCC[C@@H]2CCCO2)nc(N)[nH+]1 ZINC000075605423 631270449 /nfs/dbraw/zinc/27/04/49/631270449.db2.gz ZZOXNCZGDQBGPH-VIFPVBQESA-N 1 0 222.292 1.348 10 0 BDAERO CCc1ncc(C[NH2+][C@@H](C)[C@@H](C)O)s1 ZINC000308617428 631447287 /nfs/dbraw/zinc/44/72/87/631447287.db2.gz SCKGQSMXIRAMJZ-JGVFFNPUSA-N 1 0 214.334 1.564 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2Cc3ccccc32)n1 ZINC000090986752 631484596 /nfs/dbraw/zinc/48/45/96/631484596.db2.gz GDUZTAKYGUMMST-LLVKDONJSA-N 1 0 229.283 1.520 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@@H]2Cc3ccccc32)n1 ZINC000090986762 631486462 /nfs/dbraw/zinc/48/64/62/631486462.db2.gz NNDPFFACQRPWBI-GZMMTYOYSA-N 1 0 229.283 1.820 10 0 BDAERO CCC(C)(C)NC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241467 631529452 /nfs/dbraw/zinc/52/94/52/631529452.db2.gz FUMJYKLSAIJKGO-UHFFFAOYSA-N 1 0 239.363 1.713 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(F)cc(F)c1 ZINC000234552391 631586215 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/nfs/dbraw/zinc/05/09/63/632050963.db2.gz VPQJEVXJPXZNLI-UHFFFAOYSA-N 1 0 246.236 1.645 10 0 BDAERO Cc1ccc(C)c(CC(=O)NCC2CC([NH3+])C2)c1 ZINC000091525381 632054205 /nfs/dbraw/zinc/05/42/05/632054205.db2.gz MOKVBAPKEFGSKS-UHFFFAOYSA-N 1 0 246.354 1.699 10 0 BDAERO CSCCCCCCN[C@@H]1CC[NH2+]C1 ZINC000235154529 632103090 /nfs/dbraw/zinc/10/30/90/632103090.db2.gz WNMUKUSPXMORSI-LLVKDONJSA-N 1 0 216.394 1.861 10 0 BDAERO [NH3+]CC[C@H]1CCN(c2ccc3nccnc3n2)C1 ZINC000125476019 632106800 /nfs/dbraw/zinc/10/68/00/632106800.db2.gz MBQAXERVRWRXIT-JTQLQIEISA-N 1 0 243.314 1.200 10 0 BDAERO C[C@@H](C[NH3+])c1noc(CCc2ccccc2)n1 ZINC000054158833 635775958 /nfs/dbraw/zinc/77/59/58/635775958.db2.gz DCGCRIJSHDIBOA-JTQLQIEISA-N 1 0 231.299 1.917 10 0 BDAERO Cc1occc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000054158775 635776521 /nfs/dbraw/zinc/77/65/21/635776521.db2.gz VNNDAHIUDRWBFO-LURJTMIESA-N 1 0 207.233 1.700 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309500884 632416831 /nfs/dbraw/zinc/41/68/31/632416831.db2.gz LNNBASYWMQODAP-TUAOUCFPSA-N 1 0 222.332 1.538 10 0 BDAERO C[NH2+]CCc1noc(-c2cc(C)ccc2F)n1 ZINC000052999404 632532872 /nfs/dbraw/zinc/53/28/72/632532872.db2.gz DESOKLIBMJZJLG-UHFFFAOYSA-N 1 0 235.262 1.946 10 0 BDAERO CCN(CC[NH3+])c1nccc(C(C)(C)C)n1 ZINC000309652797 632616437 /nfs/dbraw/zinc/61/64/37/632616437.db2.gz UHGBHWLBEAVKMJ-UHFFFAOYSA-N 1 0 222.336 1.559 10 0 BDAERO COCc1ccc(C[NH2+][C@@H](C)[C@H](C)O)o1 ZINC000309073707 632632322 /nfs/dbraw/zinc/63/23/22/632632322.db2.gz HVUJVZILZUOQRR-IUCAKERBSA-N 1 0 213.277 1.285 10 0 BDAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000309150062 632648474 /nfs/dbraw/zinc/64/84/74/632648474.db2.gz WEYCIOSEKRHFJJ-VIFPVBQESA-N 1 0 228.412 1.511 10 0 BDAERO C[C@@H]1CN(Cc2cnc(Cl)s2)C[C@@H]1[NH3+] ZINC000235325773 632667778 /nfs/dbraw/zinc/66/77/78/632667778.db2.gz PJSIDTDQLZBAGM-SVRRBLITSA-N 1 0 231.752 1.576 10 0 BDAERO [NH3+][C@H](CC(F)F)CN1CCO[C@H]2CCCC[C@@H]21 ZINC000310088874 632698977 /nfs/dbraw/zinc/69/89/77/632698977.db2.gz PQEJSKXJTGWQES-VWYCJHECSA-N 1 0 248.317 1.612 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000310480428 632749214 /nfs/dbraw/zinc/74/92/14/632749214.db2.gz LFTNYARZGQCOKC-RWMBFGLXSA-N 1 0 234.343 1.411 10 0 BDAERO CC(C)(F)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000309193477 632751200 /nfs/dbraw/zinc/75/12/00/632751200.db2.gz KFEJSLZVMXQKJD-MRVPVSSYSA-N 1 0 227.283 1.816 10 0 BDAERO C[NH+]1CCC(C(=O)Nc2ccc(=O)[nH]c2)CC1 ZINC000427889027 635856786 /nfs/dbraw/zinc/85/67/86/635856786.db2.gz VBFCHUOGFWVCIB-UHFFFAOYSA-N 1 0 235.287 1.068 10 0 BDAERO c1cc(Cc2noc([C@@H]3CCC[NH2+]3)n2)ccn1 ZINC000053129461 633005392 /nfs/dbraw/zinc/00/53/92/633005392.db2.gz TXVYIRMRGFJPTN-JTQLQIEISA-N 1 0 230.271 1.480 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@]12CC(C)(C)OC2(C)C ZINC000166450591 633113476 /nfs/dbraw/zinc/11/34/76/633113476.db2.gz QYOWGGSUKXXHLF-RNCFNFMXSA-N 1 0 241.331 1.343 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)cc1C ZINC000166445507 633113920 /nfs/dbraw/zinc/11/39/20/633113920.db2.gz IDKIMDJRPHJMGN-NWDGAFQWSA-N 1 0 237.274 1.610 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(F)c(C)c1 ZINC000166493744 633115791 /nfs/dbraw/zinc/11/57/91/633115791.db2.gz RHSOIEZODKDQCF-QWRGUYRKSA-N 1 0 237.274 1.610 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ncc(Cl)cn1 ZINC000168055118 633137368 /nfs/dbraw/zinc/13/73/68/633137368.db2.gz VOBYCQBSHQLBPT-SNVBAGLBSA-N 1 0 240.738 1.708 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ncc(Cl)cn1 ZINC000168055011 633137407 /nfs/dbraw/zinc/13/74/07/633137407.db2.gz VOBYCQBSHQLBPT-JTQLQIEISA-N 1 0 240.738 1.708 10 0 BDAERO Cc1nc(-c2noc([C@H]3CC[NH2+]C3)n2)co1 ZINC000304497932 635943834 /nfs/dbraw/zinc/94/38/34/635943834.db2.gz MXRRFBIBQAKLFE-ZETCQYMHSA-N 1 0 220.232 1.110 10 0 BDAERO CC[N@@H+]1CC[C@@]2(C1)C[C@H](O)c1ccccc1O2 ZINC000328248688 633747344 /nfs/dbraw/zinc/74/73/44/633747344.db2.gz KATUXEITHPHPTB-JSGCOSHPSA-N 1 0 233.311 1.967 10 0 BDAERO CC[C@H](C[NH3+])[C@H](O)c1ncc(C)s1 ZINC000394931697 633793668 /nfs/dbraw/zinc/79/36/68/633793668.db2.gz FGXIFZIOOUVUJJ-SFYZADRCSA-N 1 0 200.307 1.470 10 0 BDAERO CCON1CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000323389921 633794652 /nfs/dbraw/zinc/79/46/52/633794652.db2.gz RHLUJFYBUOHGHM-PWSUYJOCSA-N 1 0 228.336 1.169 10 0 BDAERO CC[N@@H+](CC(=O)OC)C[C@@H]1CCC[C@H](O)C1 ZINC000309240596 633874180 /nfs/dbraw/zinc/87/41/80/633874180.db2.gz APHSLCLMXQCEOM-MNOVXSKESA-N 1 0 229.320 1.032 10 0 BDAERO CC[N@@H+](CC(=O)OC)C[C@H]1CCC[C@@H](O)C1 ZINC000309240601 633874237 /nfs/dbraw/zinc/87/42/37/633874237.db2.gz APHSLCLMXQCEOM-WDEREUQCSA-N 1 0 229.320 1.032 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cc(C)on2)C1 ZINC000309429152 633917406 /nfs/dbraw/zinc/91/74/06/633917406.db2.gz FVUNFMYPROYKSH-SKDRFNHKSA-N 1 0 223.320 1.413 10 0 BDAERO C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)[C@H](C)O ZINC000309957097 633979581 /nfs/dbraw/zinc/97/95/81/633979581.db2.gz IWSJGXRPZAGEQA-BDAKNGLRSA-N 1 0 219.288 1.422 10 0 BDAERO C[C@H](NC(=O)CCCCC[NH3+])[C@@H]1CCCO1 ZINC000035734972 634078452 /nfs/dbraw/zinc/07/84/52/634078452.db2.gz AHMJSSKNBDXHLD-QWRGUYRKSA-N 1 0 228.336 1.189 10 0 BDAERO [NH3+]C1CCC(Nc2cccc(F)n2)CC1 ZINC000162452167 634161546 /nfs/dbraw/zinc/16/15/46/634161546.db2.gz DJRDPIKSTDDDDI-UHFFFAOYSA-N 1 0 209.268 1.903 10 0 BDAERO CCc1cc(CC)nc(N(CC)[C@H]2CC[NH2+]C2)n1 ZINC000310647873 634177890 /nfs/dbraw/zinc/17/78/90/634177890.db2.gz WKNYNYRNVIWYMY-ZDUSSCGKSA-N 1 0 248.374 1.790 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2ccccn2)no1 ZINC000104061725 634326057 /nfs/dbraw/zinc/32/60/57/634326057.db2.gz GRUTYHANGGEWQC-LLVKDONJSA-N 1 0 246.314 1.581 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2CCC=CO2)C[C@H]1CO ZINC000194879510 634340186 /nfs/dbraw/zinc/34/01/86/634340186.db2.gz IAYVWIZQIVGVFA-GRYCIOLGSA-N 1 0 211.305 1.239 10 0 BDAERO [NH3+]C1CC(C(=O)NCc2ccc(F)cc2)C1 ZINC000258622615 635177316 /nfs/dbraw/zinc/17/73/16/635177316.db2.gz BZNQKCQFDPPGJD-UHFFFAOYSA-N 1 0 222.263 1.179 10 0 BDAERO COc1ccccc1N(C)C(=O)C1CC([NH3+])C1 ZINC000258762498 635197614 /nfs/dbraw/zinc/19/76/14/635197614.db2.gz RHDDWBLBWRLNLD-UHFFFAOYSA-N 1 0 234.299 1.395 10 0 BDAERO CC(C)OC1CC([NH2+][C@@H](C)[C@H](C)O)C1 ZINC000336649707 635201103 /nfs/dbraw/zinc/20/11/03/635201103.db2.gz HYEZDJVFANPRIB-SAAXCQNUSA-N 1 0 201.310 1.301 10 0 BDAERO CC(C)(CO)[NH2+]CCc1cccc(F)c1 ZINC000258841222 635211029 /nfs/dbraw/zinc/21/10/29/635211029.db2.gz NAZNXIUXXQZUPU-UHFFFAOYSA-N 1 0 211.280 1.729 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000336777381 635286847 /nfs/dbraw/zinc/28/68/47/635286847.db2.gz IHAFRPZKABHZBR-RKDXNWHRSA-N 1 0 243.376 1.064 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000250824054 635498231 /nfs/dbraw/zinc/49/82/31/635498231.db2.gz VJWLECKLONWTHG-GJZGRUSLSA-N 1 0 249.354 1.957 10 0 BDAERO Cc1cccc(N2C[C@@H](CC[NH3+])OC2=O)c1 ZINC000082365418 635756965 /nfs/dbraw/zinc/75/69/65/635756965.db2.gz IJYHWWHQOVRBIQ-LLVKDONJSA-N 1 0 220.272 1.669 10 0 BDAERO C[C@H](C[NH3+])c1noc(CC2CCCC2)n1 ZINC000054158576 635774894 /nfs/dbraw/zinc/77/48/94/635774894.db2.gz BQXHKIMPSBALLA-MRVPVSSYSA-N 1 0 209.293 1.865 10 0 BDAERO CCn1nc(C[NH2+][C@@H](C)[C@@H](C)O)c2ccccc21 ZINC000342195782 636332906 /nfs/dbraw/zinc/33/29/06/636332906.db2.gz GAXPISCHLDNPGF-WDEREUQCSA-N 1 0 247.342 1.915 10 0 BDAERO CCC[C@@H](C)C(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000675055001 636576359 /nfs/dbraw/zinc/57/63/59/636576359.db2.gz XOQGRBIGROWXOE-DBIOUOCHSA-N 1 0 210.321 1.086 10 0 BDAERO Cc1nc(C2([NH3+])CCCCCC2)n(C)n1 ZINC000054499166 636742767 /nfs/dbraw/zinc/74/27/67/636742767.db2.gz NIUASYSEQKJKDK-UHFFFAOYSA-N 1 0 208.309 1.632 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000252828292 636928962 /nfs/dbraw/zinc/92/89/62/636928962.db2.gz WBEUFYCHIUTYBV-RYUDHWBXSA-N 1 0 244.404 1.192 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000041259282 636980846 /nfs/dbraw/zinc/98/08/46/636980846.db2.gz QEFGMIRLDJJORR-LBPRGKRZSA-N 1 0 232.327 1.297 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C(C)(C)C ZINC000162005776 637138444 /nfs/dbraw/zinc/13/84/44/637138444.db2.gz XPEFGTPJXXKVPG-NXEZZACHSA-N 1 0 214.353 1.912 10 0 BDAERO C[C@H](O)[C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000346518395 637163630 /nfs/dbraw/zinc/16/36/30/637163630.db2.gz RGFKVRGEAZLOKP-GCHJQGSQSA-N 1 0 242.363 1.133 10 0 BDAERO C[C@@H](NC(=O)CC(F)(F)F)C1CC[NH2+]CC1 ZINC000035689807 639834416 /nfs/dbraw/zinc/83/44/16/639834416.db2.gz XIQXEYNCOOFWEO-SSDOTTSWSA-N 1 0 238.253 1.443 10 0 BDAERO CC[NH2+]CC(=O)N[C@@H](C)c1ccccc1C ZINC000044290774 640178623 /nfs/dbraw/zinc/17/86/23/640178623.db2.gz OXRSCQNQPHHBGO-NSHDSACASA-N 1 0 220.316 1.782 10 0 BDAERO CC[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000044290738 640179212 /nfs/dbraw/zinc/17/92/12/640179212.db2.gz SXQRONKOYBYEDT-NSHDSACASA-N 1 0 234.299 1.236 10 0 BDAERO Cn1nc(C2CC2)nc1[C@@H]([NH3+])C(C)(C)C ZINC000054698397 640303359 /nfs/dbraw/zinc/30/33/59/640303359.db2.gz ATTIDQBXOSZMAC-MRVPVSSYSA-N 1 0 208.309 1.738 10 0 BDAERO CCc1nc(C[NH2+]C2CCCC2)n(C)n1 ZINC000054696912 640305288 /nfs/dbraw/zinc/30/52/88/640305288.db2.gz MZHOIVDAMBPBFL-UHFFFAOYSA-N 1 0 208.309 1.410 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1nc(C(C)C)nn1C ZINC000054697777 640305661 /nfs/dbraw/zinc/30/56/61/640305661.db2.gz ZMQXPWOGDOKYFE-IUCAKERBSA-N 1 0 210.325 1.984 10 0 BDAERO CCCc1nc(C[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000054697251 640306399 /nfs/dbraw/zinc/30/63/99/640306399.db2.gz VLGLZEXUEPZFMK-SNVBAGLBSA-N 1 0 222.336 1.310 10 0 BDAERO Cn1nc(C2CCCC2)nc1C(C)(C)[NH3+] ZINC000054699174 640322117 /nfs/dbraw/zinc/32/21/17/640322117.db2.gz LZIGXQZTMNZNLM-UHFFFAOYSA-N 1 0 208.309 1.667 10 0 BDAERO Cn1nc(C2CCCCC2)nc1CC[NH3+] ZINC000054699444 640322330 /nfs/dbraw/zinc/32/23/30/640322330.db2.gz WOANDFUSXFKJIS-UHFFFAOYSA-N 1 0 208.309 1.364 10 0 BDAERO C[NH+](C)C[C@H](NCc1c[nH]cn1)c1ccccc1 ZINC000054763597 640404014 /nfs/dbraw/zinc/40/40/14/640404014.db2.gz KQHPWKOVXMYFOF-AWEZNQCLSA-N 1 0 244.342 1.802 10 0 BDAERO Cc1nc(Cc2noc(C[C@@H](C)[NH3+])n2)cs1 ZINC000055273470 640455879 /nfs/dbraw/zinc/45/58/79/640455879.db2.gz YMGVOLLGIARVIM-ZCFIWIBFSA-N 1 0 238.316 1.315 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccncn2)no1 ZINC000156671467 640478681 /nfs/dbraw/zinc/47/86/81/640478681.db2.gz SMZXKDLIGBQTEH-QMMMGPOBSA-N 1 0 233.275 1.052 10 0 BDAERO C[NH+](C)CCCNc1cncc2cccnc21 ZINC000223137109 640538818 /nfs/dbraw/zinc/53/88/18/640538818.db2.gz JBYKFWRJQGMRBY-UHFFFAOYSA-N 1 0 230.315 1.993 10 0 BDAERO Cn1nc(C(C)(C)C)nc1CCC(C)(C)[NH3+] ZINC000054698499 640711168 /nfs/dbraw/zinc/71/11/68/640711168.db2.gz NEFXZFBKKPBMPR-UHFFFAOYSA-N 1 0 224.352 1.783 10 0 BDAERO C[C@H]([NH3+])CN(C)c1nnc(C(F)(F)F)s1 ZINC000168118387 640783431 /nfs/dbraw/zinc/78/34/31/640783431.db2.gz KVVIEONEPAUSEM-BYPYZUCNSA-N 1 0 240.254 1.340 10 0 BDAERO CO[C@H](c1noc(-c2ccc(C[NH3+])o2)n1)C1CC1 ZINC000227334239 640827061 /nfs/dbraw/zinc/82/70/61/640827061.db2.gz RSYLQPWXSKEKCZ-JTQLQIEISA-N 1 0 249.270 1.886 10 0 BDAERO [NH3+][C@@H]1CC[C@H](CNc2ncccc2F)C1 ZINC000227643048 640843285 /nfs/dbraw/zinc/84/32/85/640843285.db2.gz CIFBQYZZGDAVSV-DTWKUNHWSA-N 1 0 209.268 1.760 10 0 BDAERO CCCCNC(=S)N[C@H]1CCC[N@H+](CC)C1 ZINC000060432105 640860139 /nfs/dbraw/zinc/86/01/39/640860139.db2.gz GXMDENUMCARXLO-NSHDSACASA-N 1 0 243.420 1.735 10 0 BDAERO Cc1nnc(NCc2ccc(CC[NH3+])cc2)s1 ZINC000087457870 640893235 /nfs/dbraw/zinc/89/32/35/640893235.db2.gz AMEAPERIPHVEPX-UHFFFAOYSA-N 1 0 248.355 1.960 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2cncs2)no1 ZINC000087572121 640930520 /nfs/dbraw/zinc/93/05/20/640930520.db2.gz VTDULMHZXWQWQC-RNFRBKRXSA-N 1 0 236.300 1.516 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@@H](C)CC2 ZINC000229202816 640931890 /nfs/dbraw/zinc/93/18/90/640931890.db2.gz DISJJQKKFXOILU-NTZNESFSSA-N 1 0 225.332 1.965 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@]12C[C@@H](C)CC[C@@H]2C ZINC000229206396 640932717 /nfs/dbraw/zinc/93/27/17/640932717.db2.gz UEKCJXACANAWMP-ZPFDUUQYSA-N 1 0 225.332 1.821 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@]12CCCC(C)(C)C2 ZINC000229210259 640933742 /nfs/dbraw/zinc/93/37/42/640933742.db2.gz FGYCUHYVTPOZNZ-ZWNOBZJWSA-N 1 0 225.332 1.965 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1C1CCCCC1 ZINC000229216812 640934036 /nfs/dbraw/zinc/93/40/36/640934036.db2.gz XLPXDMPIFMPUIR-RYUDHWBXSA-N 1 0 225.332 1.965 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]CC12CCC(C)CC2 ZINC000229215621 640934101 /nfs/dbraw/zinc/93/41/01/640934101.db2.gz ADEOABLXGYLODU-QWKFWESOSA-N 1 0 225.332 1.965 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1C1CCCC1 ZINC000229219126 640934152 /nfs/dbraw/zinc/93/41/52/640934152.db2.gz XCOKLWKIJLJSTH-GHMZBOCLSA-N 1 0 211.305 1.575 10 0 BDAERO COc1cc2c(cc1OC)OC[C@@H]([C@@H](C)[NH3+])C2 ZINC000675064113 640961023 /nfs/dbraw/zinc/96/10/23/640961023.db2.gz VTOGLCPRHKOXNC-SCZZXKLOSA-N 1 0 237.299 1.602 10 0 BDAERO CCn1ncnc1[C@H](C[NH3+])c1ccccc1 ZINC000061609629 640977735 /nfs/dbraw/zinc/97/77/35/640977735.db2.gz XVEUGUAYAQXXOC-LLVKDONJSA-N 1 0 216.288 1.389 10 0 BDAERO CC(C)n1nnc(C[NH3+])c1-c1ccccc1 ZINC000062296696 641035109 /nfs/dbraw/zinc/03/51/09/641035109.db2.gz YICVYLAGBDAJSG-UHFFFAOYSA-N 1 0 216.288 1.985 10 0 BDAERO CC(C)(O)C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721451235 711497511 /nfs/dbraw/zinc/49/75/11/711497511.db2.gz WTBQHQYMNLOKEH-SFYZADRCSA-N 1 0 241.253 1.457 10 0 BDAERO COC1CC(NC(=[NH2+])NC2CCCCC2)C1 ZINC000230688129 641086304 /nfs/dbraw/zinc/08/63/04/641086304.db2.gz OFXMEKCWUYDPNP-UHFFFAOYSA-N 1 0 225.336 1.610 10 0 BDAERO C(c1noc([C@@H]2CCCO2)n1)[C@H]1CCC[NH2+]C1 ZINC000063084720 641128117 /nfs/dbraw/zinc/12/81/17/641128117.db2.gz SIFZNKWROLOLQB-ZJUUUORDSA-N 1 0 237.303 1.463 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2CC[C@H](C)O2)n1 ZINC000088142781 641165343 /nfs/dbraw/zinc/16/53/43/641165343.db2.gz LBJFYQABLXYZBZ-YUMQZZPRSA-N 1 0 211.265 1.072 10 0 BDAERO C[C@H](O)[C@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346518400 641175700 /nfs/dbraw/zinc/17/57/00/641175700.db2.gz RGFKVRGEAZLOKP-OSUNSFLBSA-N 1 0 242.363 1.133 10 0 BDAERO O[C@@]12CCCC[C@H]1C[N@H+](CCF)CC2 ZINC000088023448 641254822 /nfs/dbraw/zinc/25/48/22/641254822.db2.gz CHFBREJSANJFQN-WDEREUQCSA-N 1 0 201.285 1.583 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@H](C2CC2)C(C)(C)C)C1 ZINC000323945886 641310351 /nfs/dbraw/zinc/31/03/51/641310351.db2.gz BLQFIYFFICALEN-QWHCGFSZSA-N 1 0 240.391 1.731 10 0 BDAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3ccncn3)no2)C1 ZINC000156261173 641602316 /nfs/dbraw/zinc/60/23/16/641602316.db2.gz DUEZVGHPLYNJMT-SFYZADRCSA-N 1 0 231.259 1.121 10 0 BDAERO c1cc(Cc2noc(C[C@@H]3CC[NH2+]C3)n2)ccn1 ZINC000089713573 642016065 /nfs/dbraw/zinc/01/60/65/642016065.db2.gz OWJIUMLPAGYOIB-NSHDSACASA-N 1 0 244.298 1.207 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000233305525 642657895 /nfs/dbraw/zinc/65/78/95/642657895.db2.gz VMDFEZJYXIEFEX-MWLCHTKSSA-N 1 0 231.361 1.342 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)CSC(C)(C)C)C1 ZINC000170860819 642734939 /nfs/dbraw/zinc/73/49/39/642734939.db2.gz XGSWPRBLALPBMJ-SNVBAGLBSA-N 1 0 244.404 1.681 10 0 BDAERO C[NH2+][C@H](C)CNc1cncc(Cl)n1 ZINC000306370531 642739815 /nfs/dbraw/zinc/73/98/15/642739815.db2.gz DQPOMVBZLGBEPH-ZCFIWIBFSA-N 1 0 200.673 1.150 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc2ncccc2c1 ZINC000069500358 642870250 /nfs/dbraw/zinc/87/02/50/642870250.db2.gz RIMQSIUVXNJUSP-NSHDSACASA-N 1 0 230.267 1.798 10 0 BDAERO C/C=C\C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252666875 642890618 /nfs/dbraw/zinc/89/06/18/642890618.db2.gz CAQKDWHIXDRDPR-SROOVFNMSA-N 1 0 208.305 1.259 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccoc2)no1 ZINC000069947442 642943554 /nfs/dbraw/zinc/94/35/54/642943554.db2.gz ZDYKSVGSJFXWPN-VIFPVBQESA-N 1 0 221.260 1.855 10 0 BDAERO CCN(c1cc(C)ccn1)[C@H]1CC[NH2+]C1 ZINC000070901190 643082192 /nfs/dbraw/zinc/08/21/92/643082192.db2.gz BUGSCUHIHRNFFO-NSHDSACASA-N 1 0 205.305 1.578 10 0 BDAERO CC(=O)N[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000175748251 643163885 /nfs/dbraw/zinc/16/38/85/643163885.db2.gz URJPKYWYAXEAHX-CYBMUJFWSA-N 1 0 242.363 1.140 10 0 BDAERO CSCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235060808 643256019 /nfs/dbraw/zinc/25/60/19/643256019.db2.gz CPIRWFQMWDBVRF-OPRDCNLKSA-N 1 0 230.377 1.100 10 0 BDAERO Cc1nc(-c2noc([C@@H]3CC[C@H]([NH3+])C3)n2)co1 ZINC000306080952 643293564 /nfs/dbraw/zinc/29/35/64/643293564.db2.gz CUAMSCINMLGZHD-SFYZADRCSA-N 1 0 234.259 1.628 10 0 BDAERO CC(C)[C@@H]1OC2(CC[NH2+]CC2)NCC1(C)C ZINC000757143533 643308892 /nfs/dbraw/zinc/30/88/92/643308892.db2.gz NFNATHODQQDWEF-NSHDSACASA-N 1 0 226.364 1.737 10 0 BDAERO C1CC2(C1)C[NH2+][C@@]1(CN3CCC1CC3)OC2 ZINC000757149107 643334591 /nfs/dbraw/zinc/33/45/91/643334591.db2.gz WMHMYYKDHLWFPT-ZDUSSCGKSA-N 1 0 222.332 1.198 10 0 BDAERO CC[C@H](C)c1noc([C@@]2(C)CC[NH2+]C2)n1 ZINC000082561115 643343125 /nfs/dbraw/zinc/34/31/25/643343125.db2.gz FKGFPWIZCHWAAK-KWQFWETISA-N 1 0 209.293 1.834 10 0 BDAERO CC[C@H](C)c1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000082561145 643343788 /nfs/dbraw/zinc/34/37/88/643343788.db2.gz PWOJKVOPZPBXFI-IUCAKERBSA-N 1 0 209.293 1.878 10 0 BDAERO C[C@H]1CC(C)(C)O[C@]2(CCSC2)[NH2+]1 ZINC000757154190 643346312 /nfs/dbraw/zinc/34/63/12/643346312.db2.gz ZHVNRLHDTJMBED-WPRPVWTQSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(CC(C)(C)C)no1 ZINC000082673363 643365387 /nfs/dbraw/zinc/36/53/87/643365387.db2.gz RWJMQQQDRKNISM-RKDXNWHRSA-N 1 0 223.320 1.981 10 0 BDAERO C[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@@H]1[NH3+] ZINC000235323231 643368498 /nfs/dbraw/zinc/36/84/98/643368498.db2.gz REWZUUTYRLOVJS-SCZZXKLOSA-N 1 0 225.723 1.514 10 0 BDAERO C[C@H]1CN2C(=[NH+]1)N[C@H](C)C[C@@H]2C(F)(F)F ZINC000235395515 643388179 /nfs/dbraw/zinc/38/81/79/643388179.db2.gz SKUIIIJHGXSXJR-DSYKOEDSSA-N 1 0 221.226 1.359 10 0 BDAERO C[C@@H](O)[C@H](C)Nc1cc[nH+]c2ccccc12 ZINC000336776338 643461442 /nfs/dbraw/zinc/46/14/42/643461442.db2.gz FOSDVKKZAUIEPE-VHSXEESVSA-N 1 0 216.284 1.838 10 0 BDAERO C[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1N1CCOCC1 ZINC000255142136 643493914 /nfs/dbraw/zinc/49/39/14/643493914.db2.gz KOTOQEIZZRCNJQ-DQOJRVPBSA-N 1 0 244.766 1.391 10 0 BDAERO CC[C@H]1OCC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000234129395 643507173 /nfs/dbraw/zinc/50/71/73/643507173.db2.gz HXDZQZPCFMZDMG-GHMZBOCLSA-N 1 0 240.347 1.012 10 0 BDAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)n1cc(C)cn1 ZINC000082800495 643526481 /nfs/dbraw/zinc/52/64/81/643526481.db2.gz NVLQQOMAHBNKEW-ONGXEEELSA-N 1 0 225.292 1.033 10 0 BDAERO CCc1cccc2c1NC(=O)C[C@H]2C[NH3+] ZINC000083985395 643636905 /nfs/dbraw/zinc/63/69/05/643636905.db2.gz YJFZSALGKLXOQG-VIFPVBQESA-N 1 0 204.273 1.634 10 0 BDAERO CCc1ccc2c(c1)[C@@H](C[NH3+])CC(=O)N2 ZINC000083985359 643637564 /nfs/dbraw/zinc/63/75/64/643637564.db2.gz WJSCYSZPXPEKHI-SECBINFHSA-N 1 0 204.273 1.634 10 0 BDAERO C[NH+](C)[C@H]1CCN(Cc2ccc(O)c(F)c2)C1 ZINC000234241698 643641704 /nfs/dbraw/zinc/64/17/04/643641704.db2.gz XSHXRCTUEPJZEM-NSHDSACASA-N 1 0 238.306 1.667 10 0 BDAERO CCN(CC)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301099 643658061 /nfs/dbraw/zinc/65/80/61/643658061.db2.gz XGNSBYILFZMLAZ-WDEREUQCSA-N 1 0 212.337 1.620 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000084309182 643658157 /nfs/dbraw/zinc/65/81/57/643658157.db2.gz UFOVVXNUTROGJP-GHMZBOCLSA-N 1 0 212.337 1.618 10 0 BDAERO Cc1ccc(C(=O)NCC2CC([NH3+])C2)o1 ZINC000084446870 643662818 /nfs/dbraw/zinc/66/28/18/643662818.db2.gz GNTPBIJICBBEOF-UHFFFAOYSA-N 1 0 208.261 1.055 10 0 BDAERO [NH3+]C1CC(CNC(=O)CCC(F)(F)F)C1 ZINC000084446883 643663494 /nfs/dbraw/zinc/66/34/94/643663494.db2.gz CWKIOZJCPKLXHQ-UHFFFAOYSA-N 1 0 224.226 1.182 10 0 BDAERO Cc1cnc(C)c(NCC2CC([NH3+])C2)n1 ZINC000084447930 643664373 /nfs/dbraw/zinc/66/43/73/643664373.db2.gz ILUNJXVHVYODMC-UHFFFAOYSA-N 1 0 206.293 1.243 10 0 BDAERO [NH3+]Cc1cccc(NC(=O)C2CCC2)n1 ZINC000074380218 643669694 /nfs/dbraw/zinc/66/96/94/643669694.db2.gz KBZIEVPUFRNGSL-UHFFFAOYSA-N 1 0 205.261 1.279 10 0 BDAERO CCOC(C[N@@H+]1CCC[C@H]1CCCO)OCC ZINC000106365523 643673229 /nfs/dbraw/zinc/67/32/29/643673229.db2.gz MCAQYDUXEREWLY-LBPRGKRZSA-N 1 0 245.363 1.622 10 0 BDAERO Cc1nn(C)cc1-c1ccc(F)c(C[NH3+])c1 ZINC000085017673 643680553 /nfs/dbraw/zinc/68/05/53/643680553.db2.gz AWHZBGNWCZTJEN-UHFFFAOYSA-N 1 0 219.263 1.993 10 0 BDAERO Cc1cc2c(ncnc2NC2C[NH2+]C2)s1 ZINC000085256610 643704001 /nfs/dbraw/zinc/70/40/01/643704001.db2.gz HQRRLQVDWVCZMC-UHFFFAOYSA-N 1 0 220.301 1.383 10 0 BDAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035188358 643914342 /nfs/dbraw/zinc/91/43/42/643914342.db2.gz KPKYZSGRHDNDTJ-UWVGGRQHSA-N 1 0 230.352 1.040 10 0 BDAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035188353 643914807 /nfs/dbraw/zinc/91/48/07/643914807.db2.gz VKWVSOCPGNYWFS-SECBINFHSA-N 1 0 230.352 1.040 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(OC)cc1F ZINC000073995671 644153964 /nfs/dbraw/zinc/15/39/64/644153964.db2.gz FQKFDWYFODGKGL-JTQLQIEISA-N 1 0 227.235 1.397 10 0 BDAERO CCN(CC)[C@@H](C)C[NH2+]C[C@@H]1CCC=CO1 ZINC000194194962 644306939 /nfs/dbraw/zinc/30/69/39/644306939.db2.gz QBONNLSYLRYJIK-STQMWFEESA-N 1 0 226.364 1.999 10 0 BDAERO CC(C)[C@@H]1C[NH2+]CCN1c1cccc(F)n1 ZINC000083352817 644403301 /nfs/dbraw/zinc/40/33/01/644403301.db2.gz PEIXOXVZJAFKJR-JTQLQIEISA-N 1 0 223.295 1.655 10 0 BDAERO FC(F)(F)CCc1noc([C@@H]2CC[NH2+]C2)n1 ZINC000086979222 644408689 /nfs/dbraw/zinc/40/86/89/644408689.db2.gz AXOIZRYOJIOIKU-ZCFIWIBFSA-N 1 0 235.209 1.641 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000084232281 644421492 /nfs/dbraw/zinc/42/14/92/644421492.db2.gz LOFHUKIKEBSESA-GRYCIOLGSA-N 1 0 211.305 1.430 10 0 BDAERO CCCN(C)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301727 644422843 /nfs/dbraw/zinc/42/28/43/644422843.db2.gz NGOTYFALJQHFTC-QWRGUYRKSA-N 1 0 212.337 1.620 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ncncc1Br ZINC000085480682 644441621 /nfs/dbraw/zinc/44/16/21/644441621.db2.gz ZGBJYVRLLJFZGI-ZCFIWIBFSA-N 1 0 245.124 1.023 10 0 BDAERO C[C@H](O)CC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000085989708 644454670 /nfs/dbraw/zinc/45/46/70/644454670.db2.gz RVUMEPDISDMNRI-QPUJVOFHSA-N 1 0 245.269 1.359 10 0 BDAERO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@H](C)O ZINC000087127775 644478095 /nfs/dbraw/zinc/47/80/95/644478095.db2.gz GKLGWKBSRMINDY-SCVCMEIPSA-N 1 0 209.289 1.079 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CO)cc1F ZINC000087284323 644487308 /nfs/dbraw/zinc/48/73/08/644487308.db2.gz MWZAHVFDUNZLKR-GXSJLCMTSA-N 1 0 227.279 1.138 10 0 BDAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCOC[C@@H]1C ZINC000088276206 644514225 /nfs/dbraw/zinc/51/42/25/644514225.db2.gz YRYWEXQMIFHKMX-RYUDHWBXSA-N 1 0 242.363 1.245 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685946142 644517975 /nfs/dbraw/zinc/51/79/75/644517975.db2.gz LEWFFBHJEQNFEJ-LPEHRKFASA-N 1 0 216.300 1.320 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NOCc1ccccc1 ZINC000089482204 644552975 /nfs/dbraw/zinc/55/29/75/644552975.db2.gz OLRZJKFRVUNMGN-OLZOCXBDSA-N 1 0 248.326 1.609 10 0 BDAERO CCn1nc(C)cc1-c1nc(CC[NH2+]C)no1 ZINC000090124698 644580818 /nfs/dbraw/zinc/58/08/18/644580818.db2.gz APVGUTNZLMFBFQ-UHFFFAOYSA-N 1 0 235.291 1.023 10 0 BDAERO CO[C@H](C)CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246750360 644604171 /nfs/dbraw/zinc/60/41/71/644604171.db2.gz BIHIZRCOHMGFMK-QJPTWQEYSA-N 1 0 242.363 1.256 10 0 BDAERO CCOCC[N@@H+]1CCN(C/C=C/Cl)C[C@H]1C ZINC000247393693 644635909 /nfs/dbraw/zinc/63/59/09/644635909.db2.gz XKOCKOUOXSSMSC-ZYOFXKKJSA-N 1 0 246.782 1.782 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2O)CCN1C ZINC000248147817 644666773 /nfs/dbraw/zinc/66/67/73/644666773.db2.gz QKULVUDYRQDTFB-FVCCEPFGSA-N 1 0 226.364 1.362 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CC=C(C)C)C[C@@H]1C ZINC000094996901 644733975 /nfs/dbraw/zinc/73/39/75/644733975.db2.gz XAADZELXXSBLQI-QWRGUYRKSA-N 1 0 211.305 1.694 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCc2ccccn2)C[C@@H]1C ZINC000094996370 644735001 /nfs/dbraw/zinc/73/50/01/644735001.db2.gz UTEMXPIYKRVVBH-AAEUAGOBSA-N 1 0 248.326 1.365 10 0 BDAERO CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000250517377 644762164 /nfs/dbraw/zinc/76/21/64/644762164.db2.gz HXBBSGQBBWNWCH-IJLUTSLNSA-N 1 0 211.305 1.201 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000250518480 644762256 /nfs/dbraw/zinc/76/22/56/644762256.db2.gz JCEXCXNKCYGTPY-CHWSQXEVSA-N 1 0 225.332 1.857 10 0 BDAERO [NH3+]CCc1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000250843381 644782812 /nfs/dbraw/zinc/78/28/12/644782812.db2.gz MNXXOTXIZVYYOV-MBTKJCJQSA-N 1 0 207.277 1.474 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)c1ccsc1 ZINC000304260148 644884652 /nfs/dbraw/zinc/88/46/52/644884652.db2.gz SWUYPWRYVNVKRV-WDEREUQCSA-N 1 0 243.372 1.778 10 0 BDAERO CC(C)OC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253174546 644941653 /nfs/dbraw/zinc/94/16/53/644941653.db2.gz NCJJARSAUWGBHF-QWRGUYRKSA-N 1 0 226.320 1.748 10 0 BDAERO C[C@@H]1CCC(=O)CN1C[C@H]1CCC[N@@H+]1C ZINC000725639797 711667679 /nfs/dbraw/zinc/66/76/79/711667679.db2.gz ZNSWADCYFMBBAM-GHMZBOCLSA-N 1 0 210.321 1.134 10 0 BDAERO C[C@H](CC[NH2+]CCc1ccccc1)[S@](C)=O ZINC000229790024 711839007 /nfs/dbraw/zinc/83/90/07/711839007.db2.gz DGMNPRYOPXLKQO-WBMJQRKESA-N 1 0 239.384 1.976 10 0 BDAERO CC(C)(CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C(C)(F)F 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CC(C)(C)CC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378757335 712361165 /nfs/dbraw/zinc/36/11/65/712361165.db2.gz YURRYBPFFQMURE-IUCAKERBSA-N 1 0 216.300 1.320 10 0 BDAERO CS[C@H](C)c1nc([C@@H](C)C[NH3+])no1 ZINC000379626363 712390791 /nfs/dbraw/zinc/39/07/91/712390791.db2.gz KFQMTUNTHNZUQF-NTSWFWBYSA-N 1 0 201.295 1.556 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CCC3(CCC3)O2)C[C@@H]1[NH3+] ZINC000712440197 712429925 /nfs/dbraw/zinc/42/99/25/712429925.db2.gz YZYSEEXMRQOSTR-WOPDTQHZSA-N 1 0 224.348 1.367 10 0 BDAERO CCN1CC[C@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000712543500 712443924 /nfs/dbraw/zinc/44/39/24/712443924.db2.gz QOCIUQHUYDBQKK-WDEREUQCSA-N 1 0 214.353 1.077 10 0 BDAERO CC1(C)CC[C@H](CN2CCC[C@H]2C[NH3+])OC1 ZINC000713592119 712466269 /nfs/dbraw/zinc/46/62/69/712466269.db2.gz MECQLYPAKDZWRL-NWDGAFQWSA-N 1 0 226.364 1.615 10 0 BDAERO COCC1CC([NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000714006393 712476795 /nfs/dbraw/zinc/47/67/95/712476795.db2.gz KTPNIFUSHUDCAK-QTAHKJALSA-N 1 0 213.321 1.426 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]C2CC(COC)C2)[C@H]1OC ZINC000713961159 712475180 /nfs/dbraw/zinc/47/51/80/712475180.db2.gz SJIYIVPGZYJIRG-FQLQODGNSA-N 1 0 243.347 1.193 10 0 BDAERO C[C@@H]1CN(C[C@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000714375516 712484531 /nfs/dbraw/zinc/48/45/31/712484531.db2.gz VEKZCTNOTCGOPQ-UTUOFQBUSA-N 1 0 226.364 1.613 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccc(Cl)o2)C1 ZINC000715080246 712506759 /nfs/dbraw/zinc/50/67/59/712506759.db2.gz AJPOQCXPVPUPII-UHFFFAOYSA-N 1 0 228.679 1.400 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715528460 712526190 /nfs/dbraw/zinc/52/61/90/712526190.db2.gz BBEKFWNGPRNSQE-UBHSHLNASA-N 1 0 239.359 1.648 10 0 BDAERO CO[C@H]1C[C@@H]([NH2+]CC2OCCCO2)C12CCC2 ZINC000716344072 712555724 /nfs/dbraw/zinc/55/57/24/712555724.db2.gz OGVIFCPAOLTNQW-MNOVXSKESA-N 1 0 241.331 1.297 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000716683873 712569970 /nfs/dbraw/zinc/56/99/70/712569970.db2.gz KXXBWXVJXVRBKC-VQXHTEKXSA-N 1 0 222.332 1.563 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2ccsc2Cl)C1 ZINC000716696446 712570309 /nfs/dbraw/zinc/57/03/09/712570309.db2.gz BEPPBYDRRGSYKK-UHFFFAOYSA-N 1 0 244.747 1.755 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC000716746508 712571880 /nfs/dbraw/zinc/57/18/80/712571880.db2.gz RSCWHKLUUBEHQM-UHFFFAOYSA-N 1 0 244.747 1.755 10 0 BDAERO Cc1ccsc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716746633 712571891 /nfs/dbraw/zinc/57/18/91/712571891.db2.gz RZJLENJDQKEMAK-UHFFFAOYSA-N 1 0 224.329 1.410 10 0 BDAERO CCCCC[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716746755 712571986 /nfs/dbraw/zinc/57/19/86/712571986.db2.gz UHNIDQJQCHSNHP-KPPDAEKUSA-N 1 0 212.337 1.809 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716754669 712572250 /nfs/dbraw/zinc/57/22/50/712572250.db2.gz JHTRVYVCAKORHC-OIKLOGQESA-N 1 0 218.300 1.601 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717429401 712657311 /nfs/dbraw/zinc/65/73/11/712657311.db2.gz IPNJDQWSKZBVQL-AGIUHOORSA-N 1 0 226.364 1.316 10 0 BDAERO Cc1coc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000718455926 712763295 /nfs/dbraw/zinc/76/32/95/712763295.db2.gz HNALNQWMVQWIKG-RKDXNWHRSA-N 1 0 208.261 1.150 10 0 BDAERO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000718792088 712784176 /nfs/dbraw/zinc/78/41/76/712784176.db2.gz RSOHBNIAJNETIX-IJLUTSLNSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@H](Nc1ccnc2ncccc21)[C@H](C)[NH3+] ZINC000718930516 712788771 /nfs/dbraw/zinc/78/87/71/712788771.db2.gz OTLNJYHTRHDGMW-DTWKUNHWSA-N 1 0 216.288 1.777 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCc1ccns1 ZINC000719869724 712824603 /nfs/dbraw/zinc/82/46/03/712824603.db2.gz FHPPZHXSPPYNDZ-VHSXEESVSA-N 1 0 226.345 1.531 10 0 BDAERO FC(F)(F)C(F)(F)OCCN[C@H]1CC[NH2+]C1 ZINC000720283630 712830313 /nfs/dbraw/zinc/83/03/13/712830313.db2.gz PJAHSLSWUVDVNK-LURJTMIESA-N 1 0 248.195 1.110 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)C(C)(C)OC ZINC000720189965 712829285 /nfs/dbraw/zinc/82/92/85/712829285.db2.gz VRHNDYWGIWHESN-NWDGAFQWSA-N 1 0 247.379 1.567 10 0 BDAERO CC1(C)CN(c2cncc(Cl)n2)C[C@H]1[NH3+] ZINC000720746706 712863075 /nfs/dbraw/zinc/86/30/75/712863075.db2.gz HAUMVUGKJWRORV-SSDOTTSWSA-N 1 0 226.711 1.304 10 0 BDAERO CC[C@@H]1OCC[C@@H]1c1nc(C[C@H](C)[NH2+]C)no1 ZINC000721109614 712891148 /nfs/dbraw/zinc/89/11/48/712891148.db2.gz VYHTWNPQGAHAGI-GUBZILKMSA-N 1 0 239.319 1.503 10 0 BDAERO CCCc1nsc(N[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721898496 710690505 /nfs/dbraw/zinc/69/05/05/710690505.db2.gz OLIMARJUZBTBLM-HTQZYQBOSA-N 1 0 226.349 1.510 10 0 BDAERO Cc1cnc(N[C@@H]2C[NH2+]C[C@H]2C)nc1C ZINC000721903858 710690558 /nfs/dbraw/zinc/69/05/58/710690558.db2.gz NGGNKQBUOJWIOG-PSASIEDQSA-N 1 0 206.293 1.113 10 0 BDAERO Cc1cccc(N[C@H]2C[NH2+]CC2(C)C)n1 ZINC000721894451 710689546 /nfs/dbraw/zinc/68/95/46/710689546.db2.gz AZIYRLRJYODFKA-JTQLQIEISA-N 1 0 205.305 1.800 10 0 BDAERO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000723094380 710727032 /nfs/dbraw/zinc/72/70/32/710727032.db2.gz QMCLURNXYSEHCX-ZNSHCXBVSA-N 1 0 210.321 1.289 10 0 BDAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C1CC1 ZINC000713117006 711481500 /nfs/dbraw/zinc/48/15/00/711481500.db2.gz FKCGUUYHKYVWHQ-MWLCHTKSSA-N 1 0 226.364 1.911 10 0 BDAERO Fc1ccccc1[C@H]1CCNC2=[NH+]CCN21 ZINC000236177806 711490629 /nfs/dbraw/zinc/49/06/29/711490629.db2.gz QMONMTOMMPGZAU-LLVKDONJSA-N 1 0 219.263 1.532 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721443092 711492868 /nfs/dbraw/zinc/49/28/68/711492868.db2.gz HPQANZCTJXIRKO-YUMQZZPRSA-N 1 0 241.253 1.457 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723599406 711523067 /nfs/dbraw/zinc/52/30/67/711523067.db2.gz KVYFJGSCISLINT-SDDRHHMPSA-N 1 0 225.332 1.449 10 0 BDAERO Cc1nc(C)c(CN2C[C@H](C)[C@H]([NH3+])C2)o1 ZINC000723627035 711527479 /nfs/dbraw/zinc/52/74/79/711527479.db2.gz LIEZWEOPWKFCPI-OIBJUYFYSA-N 1 0 209.293 1.070 10 0 BDAERO c1ccc([C@H]2C[NH2+]CCN2C[C@H]2CCCO2)cc1 ZINC000226911577 711758731 /nfs/dbraw/zinc/75/87/31/711758731.db2.gz DVXVPBKOSUVBRJ-HUUCEWRRSA-N 1 0 246.354 1.812 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)nn1C ZINC000340390031 711775187 /nfs/dbraw/zinc/77/51/87/711775187.db2.gz GYLSUBOZFXUUFR-GUBZILKMSA-N 1 0 211.309 1.148 10 0 BDAERO CCc1ccccc1[C@H]1CC[NH2+]C[C@H]1N ZINC000669384787 711790244 /nfs/dbraw/zinc/79/02/44/711790244.db2.gz GJKUXNJHBZCHMH-CHWSQXEVSA-N 1 0 204.317 1.653 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721863872 711791892 /nfs/dbraw/zinc/79/18/92/711791892.db2.gz QJLSLVPDDPJANE-JQWIXIFHSA-N 1 0 215.337 1.240 10 0 BDAERO C[C@]1(C[NH3+])CCN(c2cncc(Cl)n2)C1 ZINC000379772219 711809479 /nfs/dbraw/zinc/80/94/79/711809479.db2.gz AXEFBZZUHMLOGZ-SNVBAGLBSA-N 1 0 226.711 1.305 10 0 BDAERO Cc1cc(C)nc(N[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721885121 711811051 /nfs/dbraw/zinc/81/10/51/711811051.db2.gz YEOFJXZVWHBSBR-GMSGAONNSA-N 1 0 206.293 1.113 10 0 BDAERO Cc1cnc(N[C@H]2C[NH2+]CC2(C)C)nc1 ZINC000721896772 711812392 /nfs/dbraw/zinc/81/23/92/711812392.db2.gz JECJMDIKXJZWGM-VIFPVBQESA-N 1 0 206.293 1.195 10 0 BDAERO CO[C@@H](C[NH3+])c1nc([C@H]2CC2(C)C)no1 ZINC000227303305 711832245 /nfs/dbraw/zinc/83/22/45/711832245.db2.gz UIJCITSRYSXMIN-RQJHMYQMSA-N 1 0 211.265 1.229 10 0 BDAERO Cc1cc(C(C)C)nc(N(C)C[C@@H](C)[NH3+])n1 ZINC000229932722 711839881 /nfs/dbraw/zinc/83/98/81/711839881.db2.gz HILNETJGBYJLPB-SECBINFHSA-N 1 0 222.336 1.692 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@@]2(C)CCO[C@H]2C)n1 ZINC000700468076 711993708 /nfs/dbraw/zinc/99/37/08/711993708.db2.gz KFLHADJACHJEOA-CABZTGNLSA-N 1 0 237.303 1.148 10 0 BDAERO COC[C@H]([NH2+]Cc1nc(C)cc(=O)[nH]1)C1CC1 ZINC000700466918 711993762 /nfs/dbraw/zinc/99/37/62/711993762.db2.gz IJOROXPDCKLRDF-JTQLQIEISA-N 1 0 237.303 1.005 10 0 BDAERO Cc1noc2ncnc(NCCCCCC[NH3+])c12 ZINC000700463477 711995831 /nfs/dbraw/zinc/99/58/31/711995831.db2.gz HCDSPWXAZUWGHH-UHFFFAOYSA-N 1 0 249.318 1.857 10 0 BDAERO COC[C@@]1(c2nc([C@H]3CC34CC4)no2)CC[NH2+]C1 ZINC000700542705 711996793 /nfs/dbraw/zinc/99/67/93/711996793.db2.gz YEJOJYCZUCHWHU-NOZJJQNGSA-N 1 0 249.314 1.215 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc(Cl)nc2)C[C@@H]1[NH3+] ZINC000700612643 712002045 /nfs/dbraw/zinc/00/20/45/712002045.db2.gz SPWMCCOXWGQXLO-CBAPKCEASA-N 1 0 239.706 1.154 10 0 BDAERO C[C@H](Oc1ccccc1)C(=O)NCC1CC([NH3+])C1 ZINC000700707893 712003794 /nfs/dbraw/zinc/00/37/94/712003794.db2.gz XDDAIDPKKWPKEO-UNXYVOJBSA-N 1 0 248.326 1.307 10 0 BDAERO CC(C)c1cnc(CN2CCC[C@H]2C[NH3+])o1 ZINC000700787479 712005122 /nfs/dbraw/zinc/00/51/22/712005122.db2.gz DYTDPDSVYWVPIE-JTQLQIEISA-N 1 0 223.320 1.721 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cccnc3F)C[C@H]12 ZINC000701089905 712015076 /nfs/dbraw/zinc/01/50/76/712015076.db2.gz OIIDDHUOQUZZSX-INTQDDNPSA-N 1 0 249.289 1.030 10 0 BDAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(CC3CC3)no2)C1 ZINC000702721083 712060486 /nfs/dbraw/zinc/06/04/86/712060486.db2.gz WSMMLMBHTHDFTB-JOYOIKCWSA-N 1 0 237.303 1.246 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)C1(Cl)CC1 ZINC000705166653 712125036 /nfs/dbraw/zinc/12/50/36/712125036.db2.gz OPMKUYBXVXSCNE-UEJVZZJDSA-N 1 0 203.713 1.507 10 0 BDAERO CN1C[C@]2(C)C[NH+](CC(C)(C)O)C[C@@]2(C)C1 ZINC000705665506 712134755 /nfs/dbraw/zinc/13/47/55/712134755.db2.gz FOBDUPHSQNUNSH-CHWSQXEVSA-N 1 0 226.364 1.031 10 0 BDAERO C[C@@H]([NH2+]Cc1cc(Cl)n(C)n1)[C@H]1CCCO1 ZINC000706177061 712141612 /nfs/dbraw/zinc/14/16/12/712141612.db2.gz SASBBFGHZORHHU-PSASIEDQSA-N 1 0 243.738 1.731 10 0 BDAERO CN1C[C@]2(C)C[NH+](CC3(O)CCC3)C[C@@]2(C)C1 ZINC000706257403 712142826 /nfs/dbraw/zinc/14/28/26/712142826.db2.gz SPKABRCRXUVSJF-CHWSQXEVSA-N 1 0 238.375 1.175 10 0 BDAERO [NH3+]C1CC(C(=O)N[C@H]2CCCC23CC3)C1 ZINC000706613150 712151105 /nfs/dbraw/zinc/15/11/05/712151105.db2.gz TVSVIVWBHYRTLK-RTBKNWGFSA-N 1 0 208.305 1.173 10 0 BDAERO CSC1CC([NH2+]C[C@](C)(O)C(F)F)C1 ZINC000706960325 712160335 /nfs/dbraw/zinc/16/03/35/712160335.db2.gz RQXALXQETGDDLT-IEIXJENWSA-N 1 0 225.304 1.486 10 0 BDAERO CC[C@@H]1COC[C@@H]1[NH2+]C1CC(SC)C1 ZINC000706943583 712162136 /nfs/dbraw/zinc/16/21/36/712162136.db2.gz IYEYSGGSYAVMQE-SFXRXQKFSA-N 1 0 215.362 1.895 10 0 BDAERO CSC1CC([NH2+]Cc2cnc(C)n2C)C1 ZINC000706943577 712162466 /nfs/dbraw/zinc/16/24/66/712162466.db2.gz IXKLILFRMRMFGP-UHFFFAOYSA-N 1 0 225.361 1.712 10 0 BDAERO [NH3+]C1CC(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)C1 ZINC000707720841 712176607 /nfs/dbraw/zinc/17/66/07/712176607.db2.gz CYHOTWLQHUOXPV-LXKPXOPUSA-N 1 0 240.372 1.220 10 0 BDAERO COC(CC[N@@H+]1CCC[C@H](C(C)=O)C1)OC ZINC000707738369 712176864 /nfs/dbraw/zinc/17/68/64/712176864.db2.gz NOXGNPFOGQWOJF-NSHDSACASA-N 1 0 229.320 1.296 10 0 BDAERO CSC1CC([NH2+][C@@H](C)C[C@H]2CCC(=O)N2)C1 ZINC000708281528 712185413 /nfs/dbraw/zinc/18/54/13/712185413.db2.gz GVNQZMDNDNRXNR-IZUQBHJASA-N 1 0 242.388 1.527 10 0 BDAERO CC(C)c1cnc(CN2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000708874100 712202162 /nfs/dbraw/zinc/20/21/62/712202162.db2.gz CQRDVBPAGNVFIW-WDEREUQCSA-N 1 0 237.347 1.825 10 0 BDAERO CO[C@@H]1CN(C/C=C/Cl)[C@](C)(C[NH3+])C1 ZINC000708939493 712203460 /nfs/dbraw/zinc/20/34/60/712203460.db2.gz DYZFRZHHSPXKHE-OHINUGQQSA-N 1 0 218.728 1.177 10 0 BDAERO CO[C@@H]1CN(C/C=C/Cl)[C@@](C)(C[NH3+])C1 ZINC000708939491 712203555 /nfs/dbraw/zinc/20/35/55/712203555.db2.gz DYZFRZHHSPXKHE-FCVPOFOPSA-N 1 0 218.728 1.177 10 0 BDAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1F)C2 ZINC000709799606 712227402 /nfs/dbraw/zinc/22/74/02/712227402.db2.gz LOBYODIZOUHJFM-AEJSXWLSSA-N 1 0 221.279 1.537 10 0 BDAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ccccn1)C2 ZINC000709796367 712227409 /nfs/dbraw/zinc/22/74/09/712227409.db2.gz VQSVBJDPHBFVKU-DCAQKATOSA-N 1 0 203.289 1.398 10 0 BDAERO COC(=O)c1csc(C[NH2+][C@H](C)[C@@H](C)O)c1 ZINC000711438245 712300133 /nfs/dbraw/zinc/30/01/33/712300133.db2.gz IDGKTEGNKLFMLP-HTQZYQBOSA-N 1 0 243.328 1.394 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000711940109 712339665 /nfs/dbraw/zinc/33/96/65/712339665.db2.gz JVZNZKWLUIWVDF-CYDGBPFRSA-N 1 0 236.359 1.666 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000379246306 712371654 /nfs/dbraw/zinc/37/16/54/712371654.db2.gz AULJYZRXQFKFDS-NAKRPEOUSA-N 1 0 201.310 1.303 10 0 BDAERO C[C@H](CC(=O)NC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000379467604 712385717 /nfs/dbraw/zinc/38/57/17/712385717.db2.gz YOYRLWYLFVOXKT-NXEZZACHSA-N 1 0 210.321 1.148 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712511919 712432109 /nfs/dbraw/zinc/43/21/09/712432109.db2.gz SGENTMRBTMDDQA-UPJWGTAASA-N 1 0 239.359 1.791 10 0 BDAERO C[C@H]([NH2+]CCn1cnnn1)c1cccs1 ZINC000712561764 712445648 /nfs/dbraw/zinc/44/56/48/712445648.db2.gz FBVLSXOQYYJDTP-QMMMGPOBSA-N 1 0 223.305 1.085 10 0 BDAERO CC[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C(C)C ZINC000713249705 712456606 /nfs/dbraw/zinc/45/66/06/712456606.db2.gz WPMXRGGMEHPELA-BLFANLJRSA-N 1 0 224.348 1.665 10 0 BDAERO C=C/C=C/CCN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000713758226 712471865 /nfs/dbraw/zinc/47/18/65/712471865.db2.gz QDXQTAXUFOCJFO-PBJSTTKNSA-N 1 0 224.348 1.557 10 0 BDAERO Cc1ccc(N(C)C(=O)[C@H]2CO[C@@H](C[NH3+])C2)cc1 ZINC000713776544 712472277 /nfs/dbraw/zinc/47/22/77/712472277.db2.gz XHWGGZAGJAFSON-DGCLKSJQSA-N 1 0 248.326 1.322 10 0 BDAERO COCC1CC(NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000713954219 712474528 /nfs/dbraw/zinc/47/45/28/712474528.db2.gz YMHMYSSECASLIV-UHFFFAOYSA-N 1 0 242.363 1.306 10 0 BDAERO COCC1CC([NH2+][C@@H]2CO[C@@H](C)[C@H]2C)C1 ZINC000713970216 712475629 /nfs/dbraw/zinc/47/56/29/712475629.db2.gz CJLICJOTJWFNJA-FESBJMALSA-N 1 0 213.321 1.424 10 0 BDAERO [NH3+][C@H]1CCCN(C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC000713978306 712475924 /nfs/dbraw/zinc/47/59/24/712475924.db2.gz FLCQTZRHTHPRSA-UWVGGRQHSA-N 1 0 246.301 1.762 10 0 BDAERO C[C@H]([NH3+])CCNC(=O)C[C@@H]1CCCC1(F)F ZINC000713987316 712476610 /nfs/dbraw/zinc/47/66/10/712476610.db2.gz GOPSYHGCBHPZTQ-IUCAKERBSA-N 1 0 234.290 1.665 10 0 BDAERO CC(C)c1noc([C@@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714078383 712477701 /nfs/dbraw/zinc/47/77/01/712477701.db2.gz XKXDMMGLQAHOMA-YUMQZZPRSA-N 1 0 211.265 1.024 10 0 BDAERO CC(C)(C)c1noc([C@@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714073953 712477704 /nfs/dbraw/zinc/47/77/04/712477704.db2.gz BGFGOIYVWPIWJG-JGVFFNPUSA-N 1 0 225.292 1.198 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](c2nc([C@@H]3CC34CC4)no2)CO1 ZINC000714098540 712477751 /nfs/dbraw/zinc/47/77/51/712477751.db2.gz HNXGXGSJAWEFKL-VGMNWLOBSA-N 1 0 235.287 1.168 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ncnc3c2CCC3)C1 ZINC000715067359 712505568 /nfs/dbraw/zinc/50/55/68/712505568.db2.gz OOZDPUXBZFKQPO-KYZUINATSA-N 1 0 218.304 1.115 10 0 BDAERO [NH3+]C1CC(CNC(=O)Cc2cccs2)C1 ZINC000715083523 712507726 /nfs/dbraw/zinc/50/77/26/712507726.db2.gz VRFKZZWXSUIEDB-UHFFFAOYSA-N 1 0 224.329 1.144 10 0 BDAERO Cc1cnc(NC[C@H]2C[C@@H]([NH3+])C2)nc1C ZINC000715125514 712510784 /nfs/dbraw/zinc/51/07/84/712510784.db2.gz MTCPFKFXTHRZCG-AOOOYVTPSA-N 1 0 206.293 1.243 10 0 BDAERO CC[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C(C)C ZINC000715169805 712513321 /nfs/dbraw/zinc/51/33/21/712513321.db2.gz IADMRULBKHLORX-YIZRAAEISA-N 1 0 234.290 1.377 10 0 BDAERO CC(C)(O)C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000715510021 712524627 /nfs/dbraw/zinc/52/46/27/712524627.db2.gz NMYWWOFXBLTHQV-GHMZBOCLSA-N 1 0 213.321 1.305 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cn(C)nn1 ZINC000715839217 712535169 /nfs/dbraw/zinc/53/51/69/712535169.db2.gz UDGJNDYNWREWIU-BBBLOLIVSA-N 1 0 208.309 1.654 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716039610 712547708 /nfs/dbraw/zinc/54/77/08/712547708.db2.gz PTSRVZQPZFIDEJ-UBJLHIIHSA-N 1 0 242.388 1.514 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1CCC2(CCC2)CO1 ZINC000716267855 712553431 /nfs/dbraw/zinc/55/34/31/712553431.db2.gz VSOIDECTUKHGPB-STQMWFEESA-N 1 0 238.375 1.759 10 0 BDAERO [NH3+]Cc1cn(C[C@H]2CCC3(CCC3)CO2)nn1 ZINC000716350757 712555725 /nfs/dbraw/zinc/55/57/25/712555725.db2.gz DXBPCNFYASXEOJ-LLVKDONJSA-N 1 0 236.319 1.086 10 0 BDAERO CO[C@@H]1C[C@@H]([NH2+]CC2OCCCO2)C12CCC2 ZINC000716344069 712555768 /nfs/dbraw/zinc/55/57/68/712555768.db2.gz OGVIFCPAOLTNQW-GHMZBOCLSA-N 1 0 241.331 1.297 10 0 BDAERO CC(C)(O)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000716394510 712558232 /nfs/dbraw/zinc/55/82/32/712558232.db2.gz OUSATRPTFGVTIF-NSHDSACASA-N 1 0 213.321 1.258 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000716447386 712561606 /nfs/dbraw/zinc/56/16/06/712561606.db2.gz RAQVUBRWWAXXBH-VVVXUTRGSA-N 1 0 236.359 1.535 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000716468148 712563538 /nfs/dbraw/zinc/56/35/38/712563538.db2.gz XYJYBMMLGKOAPB-GYVIJWDYSA-N 1 0 248.370 1.474 10 0 BDAERO C[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000716492104 712566257 /nfs/dbraw/zinc/56/62/57/712566257.db2.gz XPUODCJBKYNCHU-ZRFFIENRSA-N 1 0 236.359 1.332 10 0 BDAERO CCC[C@H]([NH2+]C1CC(C(N)=O)C1)C1CCC1 ZINC000716682245 712569795 /nfs/dbraw/zinc/56/97/95/712569795.db2.gz ANLSZOUUDLPGBG-MCIGGMRASA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C2CC(C(N)=O)C2)CS1 ZINC000716717643 712570643 /nfs/dbraw/zinc/57/06/43/712570643.db2.gz RPOLMDGXRUVRGP-RJQCTPFPSA-N 1 0 228.361 1.124 10 0 BDAERO Cc1ccc2c(c1)[C@H]([NH2+]C1CC(C(N)=O)C1)CC2 ZINC000716722691 712570848 /nfs/dbraw/zinc/57/08/48/712570848.db2.gz KETGARWFRKPJHL-ORHYLEIMSA-N 1 0 244.338 1.836 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000716723190 712571311 /nfs/dbraw/zinc/57/13/11/712571311.db2.gz MWHHSCTYFSEKHN-MCIGGMRASA-N 1 0 245.326 1.313 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000716724165 712571342 /nfs/dbraw/zinc/57/13/42/712571342.db2.gz SRHKGRJGKIXYII-UHFFFAOYSA-N 1 0 244.338 1.918 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716759712 712572433 /nfs/dbraw/zinc/57/24/33/712572433.db2.gz IXJLRBSRNFUCAF-ZYGVAYEYSA-N 1 0 224.348 1.809 10 0 BDAERO NC(=O)C1CC([NH2+]C2Cc3ccccc3C2)C1 ZINC000716774732 712573272 /nfs/dbraw/zinc/57/32/72/712573272.db2.gz HXSHBKOSVSAUDL-UHFFFAOYSA-N 1 0 230.311 1.007 10 0 BDAERO NC(=O)C1CC([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000716791019 712573622 /nfs/dbraw/zinc/57/36/22/712573622.db2.gz SSUOXKSXVUFMSE-UHFFFAOYSA-N 1 0 236.359 1.809 10 0 BDAERO C[C@@H](C[NH3+])CNc1nccc2cccnc21 ZINC000716914409 712582044 /nfs/dbraw/zinc/58/20/44/712582044.db2.gz GZTAJBKKEDJJKX-VIFPVBQESA-N 1 0 216.288 1.637 10 0 BDAERO Cc1ccc(C#N)c(N(C)C[C@H](C)[NH3+])n1 ZINC000379903522 712622649 /nfs/dbraw/zinc/62/26/49/712622649.db2.gz GYQJEPBDIXSIPM-QMMMGPOBSA-N 1 0 204.277 1.045 10 0 BDAERO CC1(C)CO[C@@H](CC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000717098465 712630825 /nfs/dbraw/zinc/63/08/25/712630825.db2.gz WXBIFNIRRFDBCX-MNOVXSKESA-N 1 0 240.347 1.141 10 0 BDAERO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)[C@H](C)O)c1 ZINC000717307367 712646452 /nfs/dbraw/zinc/64/64/52/712646452.db2.gz LIEUNAOCROWYOW-GMXVVIOVSA-N 1 0 223.316 1.387 10 0 BDAERO C[C@@H](O)[C@@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000717351299 712650113 /nfs/dbraw/zinc/65/01/13/712650113.db2.gz CZEOBCPENQIYMZ-SBMIAAHKSA-N 1 0 243.734 1.732 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+]C2(C3CC3)CCC2)n1 ZINC000717830445 712682805 /nfs/dbraw/zinc/68/28/05/712682805.db2.gz SLPPHLMNHVQKNJ-UHFFFAOYSA-N 1 0 233.315 1.913 10 0 BDAERO COC(=O)/C(=C/c1ccc(F)c(OC)c1)C[NH3+] ZINC000950757473 712726377 /nfs/dbraw/zinc/72/63/77/712726377.db2.gz IQFMIZKZAUFQIU-WEVVVXLNSA-N 1 0 239.246 1.349 10 0 BDAERO Cc1coc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000718068330 712741078 /nfs/dbraw/zinc/74/10/78/712741078.db2.gz SXSAHWDCPGRBRP-ONGXEEELSA-N 1 0 222.288 1.345 10 0 BDAERO CC(C)(C)Cc1noc(CC2CC([NH3+])C2)n1 ZINC000718097566 712742761 /nfs/dbraw/zinc/74/27/61/712742761.db2.gz JOMRGDDXURVCQA-UHFFFAOYSA-N 1 0 223.320 1.938 10 0 BDAERO [NH3+]C[C@@H]1CCCN1c1ccnc2ncccc12 ZINC000718923039 712789397 /nfs/dbraw/zinc/78/93/97/712789397.db2.gz RNYJVHPHCQUMRC-JTQLQIEISA-N 1 0 228.299 1.557 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)OC ZINC000720189969 712829448 /nfs/dbraw/zinc/82/94/48/712829448.db2.gz VRHNDYWGIWHESN-RYUDHWBXSA-N 1 0 247.379 1.567 10 0 BDAERO Cc1conc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000720352958 712833308 /nfs/dbraw/zinc/83/33/08/712833308.db2.gz RLVAVCNCLISEOK-KOLCDFICSA-N 1 0 210.277 1.640 10 0 BDAERO Cc1cc(N[C@@H](C)c2cn(C)nn2)cc[nH+]1 ZINC000720584387 712854772 /nfs/dbraw/zinc/85/47/72/712854772.db2.gz RFOQKELMKWEMIL-VIFPVBQESA-N 1 0 217.276 1.114 10 0 BDAERO C[NH2+]CCN(c1nc(C)cc(OC)n1)C(C)C ZINC000720716952 712862189 /nfs/dbraw/zinc/86/21/89/712862189.db2.gz UZYJXBNTECOTJU-UHFFFAOYSA-N 1 0 238.335 1.228 10 0 BDAERO C[NH2+]CCN(C[C@@H]1CCCO1)C(C)C ZINC000720765951 712864053 /nfs/dbraw/zinc/86/40/53/712864053.db2.gz DWCPOMKXUCUCRE-NSHDSACASA-N 1 0 200.326 1.095 10 0 BDAERO C[NH2+]CCN(c1ncc(Cl)cn1)C(C)C ZINC000720792896 712865880 /nfs/dbraw/zinc/86/58/80/712865880.db2.gz YZENGAKAPSAUSX-UHFFFAOYSA-N 1 0 228.727 1.564 10 0 BDAERO C[C@H]1Cc2cc(C[NH2+]CC3CC(O)C3)ccc2O1 ZINC000720797763 712866256 /nfs/dbraw/zinc/86/62/56/712866256.db2.gz LBIAEQSCICUHEP-JKDOVBDQSA-N 1 0 247.338 1.871 10 0 BDAERO C[C@@H]1CN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@@H]1[NH3+] ZINC000720871887 712872413 /nfs/dbraw/zinc/87/24/13/712872413.db2.gz NHCUBIJVAKIVFC-MOLYVOAJSA-N 1 0 224.348 1.223 10 0 BDAERO [NH3+]C[C@@H]1CN(c2ccccn2)C[C@@H]1C(F)(F)F ZINC000720873859 712873453 /nfs/dbraw/zinc/87/34/53/712873453.db2.gz WSXQHPUXTQMZFY-BDAKNGLRSA-N 1 0 245.248 1.655 10 0 BDAERO CS(=O)(=O)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000380314660 712873841 /nfs/dbraw/zinc/87/38/41/712873841.db2.gz ILOJZTAFMRJMSO-UWVGGRQHSA-N 1 0 237.340 1.149 10 0 BDAERO C[NH2+]C[C@H](C)c1noc([C@@H]2CC[C@H](C)O2)n1 ZINC000721061252 712889404 /nfs/dbraw/zinc/88/94/04/712889404.db2.gz WPDWUWWINNMEOS-CIUDSAMLSA-N 1 0 225.292 1.633 10 0 BDAERO C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])CC[N@@H+]1C ZINC000396056861 951473547 /nfs/dbraw/zinc/47/35/47/951473547.db2.gz ZVWWYSJCHHCDOE-QWRGUYRKSA-N 1 0 242.363 1.560 10 0 BDAERO CC(C)(CC[N@@H+]1CC[C@](C)(C[NH3+])C1)C(=O)[O-] ZINC000395615309 972812661 /nfs/dbraw/zinc/81/26/61/972812661.db2.gz OAUSKQVWRVFVRV-GFCCVEGCSA-N 1 0 228.336 1.158 10 0 BDAERO C[N@@H+]1C[C@H]2C[NH+](CCCCC(=O)[O-])C[C@@]2(C)C1 ZINC000702287184 977077061 /nfs/dbraw/zinc/07/70/61/977077061.db2.gz HVTJUQBJXMPJJM-WCQYABFASA-N 1 0 240.347 1.125 10 0 BDAERO CCC[N@@H+]1CCC(=O)[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685953526 538897886 /nfs/dbraw/zinc/89/78/86/538897886.db2.gz IDXPDEYZHMSZTG-PTEHBNRSSA-N 1 0 225.332 1.997 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000685954945 538900003 /nfs/dbraw/zinc/90/00/03/538900003.db2.gz QQMMVXJLLATARM-MXWKQRLJSA-N 1 0 233.377 1.573 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H]([NH2+]CC)[C@H](C)C1 ZINC000685954936 538900055 /nfs/dbraw/zinc/90/00/55/538900055.db2.gz QORWKTXIGCLVMW-UTUOFQBUSA-N 1 0 247.404 1.978 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C(C)C)C[C@H]1[NH3+] ZINC000685955114 538900156 /nfs/dbraw/zinc/90/01/56/538900156.db2.gz TZEXHALHDNKGOX-QJPTWQEYSA-N 1 0 247.404 1.963 10 0 BDAERO CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1S(C)(=O)=O ZINC000685955161 538900987 /nfs/dbraw/zinc/90/09/87/538900987.db2.gz VAICNMSTAYOGKS-OPRDCNLKSA-N 1 0 219.350 1.198 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H](N)C12CCC(=O)CC2 ZINC000685955410 538901073 /nfs/dbraw/zinc/90/10/73/538901073.db2.gz ZDFKLCUNXHOMCM-LLVKDONJSA-N 1 0 210.321 1.310 10 0 BDAERO CNCC(F)(F)CN1CCC(F)(F)C1 ZINC000685955861 538901868 /nfs/dbraw/zinc/90/18/68/538901868.db2.gz FXOGDROBAMRIIW-UHFFFAOYSA-N 1 0 214.206 1.182 10 0 BDAERO CCCOCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960612 538907540 /nfs/dbraw/zinc/90/75/40/538907540.db2.gz UVQCTSYKRUUJRM-UHFFFAOYSA-N 1 0 221.300 1.772 10 0 BDAERO CC(C)[NH2+]CC[C@@H](CO)[C@H]1CCCOC1 ZINC000685960740 538908214 /nfs/dbraw/zinc/90/82/14/538908214.db2.gz AYZHNKKNJWYNFI-RYUDHWBXSA-N 1 0 215.337 1.410 10 0 BDAERO CC(C)(C)[NH2+]CC[C@H](CO)C1CCOCC1 ZINC000685962935 538909534 /nfs/dbraw/zinc/90/95/34/538909534.db2.gz AWASSIGKNKDKIV-GFCCVEGCSA-N 1 0 229.364 1.800 10 0 BDAERO CCN(Cc1ccncc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062115258 349438141 /nfs/dbraw/zinc/43/81/41/349438141.db2.gz GOEGSWWUPOZSJN-GFCCVEGCSA-N 1 0 233.315 1.040 10 0 BDAERO CCC(CC)(CC)CNC(=O)[C@H]1COCCN1 ZINC000236626081 168314275 /nfs/dbraw/zinc/31/42/75/168314275.db2.gz YRALUJPYQQXYIL-LLVKDONJSA-N 1 0 242.363 1.307 10 0 BDAERO Cc1cnccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000385220943 398141169 /nfs/dbraw/zinc/14/11/69/398141169.db2.gz ROXHFIBTOKAURY-CHWSQXEVSA-N 1 0 220.316 1.783 10 0 BDAERO COc1cc(F)cc([C@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965410 538911744 /nfs/dbraw/zinc/91/17/44/538911744.db2.gz CNGIMDZQZDIPOE-VXGBXAGGSA-N 1 0 224.279 1.239 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 ZINC000685965727 538912358 /nfs/dbraw/zinc/91/23/58/538912358.db2.gz QGNXEQZWGVTAJX-KBPBESRZSA-N 1 0 216.328 1.968 10 0 BDAERO Cc1ccc(F)c([C@@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965732 538912477 /nfs/dbraw/zinc/91/24/77/538912477.db2.gz QHAPFTDTEDQCPS-JQWIXIFHSA-N 1 0 208.280 1.538 10 0 BDAERO Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)cc1F ZINC000685965614 538912564 /nfs/dbraw/zinc/91/25/64/538912564.db2.gz LDSDHCCYXMJDEA-JQWIXIFHSA-N 1 0 208.280 1.538 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)c(C)c1 ZINC000685965859 538912650 /nfs/dbraw/zinc/91/26/50/538912650.db2.gz WOMKRVJHPFUOEV-STQMWFEESA-N 1 0 220.316 1.408 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@H]1c1cccc(F)c1F ZINC000685965905 538913010 /nfs/dbraw/zinc/91/30/10/538913010.db2.gz YLCMXWWJKJLFRH-KWQFWETISA-N 1 0 212.243 1.369 10 0 BDAERO [NH3+]C[C@]12C[C@H]1CCCN2C(=O)CC1CC1 ZINC000675070331 538916597 /nfs/dbraw/zinc/91/65/97/538916597.db2.gz OLCGLJFKEFQNLI-ZYHUDNBSSA-N 1 0 208.305 1.126 10 0 BDAERO OCCc1cccc([C@H]2CCC[N@@H+](CCO)C2)c1 ZINC000616611768 349463208 /nfs/dbraw/zinc/46/32/08/349463208.db2.gz VGUIGUWCKYKFCB-HNNXBMFYSA-N 1 0 249.354 1.393 10 0 BDAERO CCC(CC)(C[NH3+])N1CCOC[C@H]1C ZINC000035774918 168322458 /nfs/dbraw/zinc/32/24/58/168322458.db2.gz YQGJVIJDCKRRTM-SNVBAGLBSA-N 1 0 200.326 1.225 10 0 BDAERO CCC(CC)(C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000042606623 168323482 /nfs/dbraw/zinc/32/34/82/168323482.db2.gz YBKSGOKPDISXDK-LBPRGKRZSA-N 1 0 246.395 1.487 10 0 BDAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cncs1 ZINC000161774642 538918351 /nfs/dbraw/zinc/91/83/51/538918351.db2.gz QGSQTMYTHQVZDV-DTWKUNHWSA-N 1 0 200.307 1.552 10 0 BDAERO CC1CCN(c2ccc([C@H](O)C[NH3+])o2)CC1 ZINC000213602215 349499716 /nfs/dbraw/zinc/49/97/16/349499716.db2.gz VRVAJYSXOIRYAV-SNVBAGLBSA-N 1 0 224.304 1.508 10 0 BDAERO Cc1cc(CN2CC[C@H](C)C[C@@H]2C[NH3+])no1 ZINC000235656575 178000396 /nfs/dbraw/zinc/00/03/96/178000396.db2.gz NLEMYCVWSHKISM-JOYOIKCWSA-N 1 0 223.320 1.542 10 0 BDAERO Cc1cc(C[NH2+]C2CC2)nc(C[C@@H]2CCCO2)n1 ZINC000054831947 178018486 /nfs/dbraw/zinc/01/84/86/178018486.db2.gz NSJPLDNCBZERKT-ZDUSSCGKSA-N 1 0 247.342 1.759 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1ncccc1Br ZINC000307394556 398157768 /nfs/dbraw/zinc/15/77/68/398157768.db2.gz MOROGEMNCOKJCY-BQBZGAKWSA-N 1 0 244.136 1.992 10 0 BDAERO Cc1cc(CNC[C@@H]2CCCC[N@H+]2C)no1 ZINC000054243745 178022233 /nfs/dbraw/zinc/02/22/33/178022233.db2.gz HUFHUKZNLFUXBY-LBPRGKRZSA-N 1 0 223.320 1.557 10 0 BDAERO Cc1cc(C[NH2+]CCN(C)C)ccc1F ZINC000050544469 178019952 /nfs/dbraw/zinc/01/99/52/178019952.db2.gz FXISMJRIOVCRLC-UHFFFAOYSA-N 1 0 210.296 1.785 10 0 BDAERO Cc1cc(C[NH2+]C[C@H]2CCOC2)c(C)n1C ZINC000052790292 178024651 /nfs/dbraw/zinc/02/46/51/178024651.db2.gz RCGBQAPCZDFHSM-GFCCVEGCSA-N 1 0 222.332 1.768 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cs1 ZINC000296751814 178039064 /nfs/dbraw/zinc/03/90/64/178039064.db2.gz KMAVARSCQYOVBV-ONGXEEELSA-N 1 0 238.356 1.813 10 0 BDAERO Cc1cc(Cl)nc(N[C@H]2CCC[NH2+]C2)n1 ZINC000095068924 178071060 /nfs/dbraw/zinc/07/10/60/178071060.db2.gz DDTNUXVGDWFJGO-QMMMGPOBSA-N 1 0 226.711 1.602 10 0 BDAERO Cc1cc(Cl)nc(N(C)[C@H]2CC[NH2+]C2)n1 ZINC000095070575 178071311 /nfs/dbraw/zinc/07/13/11/178071311.db2.gz RMRRNIJUCOGAFA-QMMMGPOBSA-N 1 0 226.711 1.237 10 0 BDAERO Cc1cc(N(C)CCC(N)=[NH2+])nc(C(C)C)n1 ZINC000035663815 178098692 /nfs/dbraw/zinc/09/86/92/178098692.db2.gz SITRRHHWSHALLR-UHFFFAOYSA-N 1 0 235.335 1.671 10 0 BDAERO CC[C@@H]1CCC[C@@]12[NH2+]CCc1nc[nH]c12 ZINC000400491590 398196488 /nfs/dbraw/zinc/19/64/88/398196488.db2.gz JPFOEJYCROBLMV-BXKDBHETSA-N 1 0 205.305 1.961 10 0 BDAERO C[C@@H]1OCCN(C(=O)C2CCC([NH3+])CC2)[C@H]1C ZINC000380569443 398200624 /nfs/dbraw/zinc/20/06/24/398200624.db2.gz QZCZQBDTHMRPDH-JYBOHDQNSA-N 1 0 240.347 1.140 10 0 BDAERO CC(C)n1ccnc1CN1CC[NH2+]CC1(C)C ZINC000649410215 398209242 /nfs/dbraw/zinc/20/92/42/398209242.db2.gz ZXTILPLXJMMQLU-UHFFFAOYSA-N 1 0 236.363 1.648 10 0 BDAERO CC(C)C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000309661691 136219433 /nfs/dbraw/zinc/21/94/33/136219433.db2.gz GFXIEFPDEYDARB-QWRGUYRKSA-N 1 0 248.392 1.092 10 0 BDAERO CCOC1CC([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000162782679 538924884 /nfs/dbraw/zinc/92/48/84/538924884.db2.gz HOHRTGAPOFOEGX-ZYGVAYEYSA-N 1 0 213.321 1.447 10 0 BDAERO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)on1 ZINC000042165371 178134883 /nfs/dbraw/zinc/13/48/83/178134883.db2.gz KABVQVWMTUIZEP-MRVPVSSYSA-N 1 0 209.249 1.064 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cccc2ncccc21 ZINC000380983952 398216511 /nfs/dbraw/zinc/21/65/11/398216511.db2.gz FBTGYNROVNNLBH-SNVBAGLBSA-N 1 0 243.310 1.573 10 0 BDAERO Cc1cc(NC(=O)[C@](C)([NH3+])C2CC2)no1 ZINC000037478751 178148544 /nfs/dbraw/zinc/14/85/44/178148544.db2.gz LCFHLDBJWDYFHA-SNVBAGLBSA-N 1 0 209.249 1.049 10 0 BDAERO Cc1cc(C)cc(N2C[C@@H](C[NH3+])OC2=O)c1 ZINC000019669059 538927150 /nfs/dbraw/zinc/92/71/50/538927150.db2.gz RTJVYDMPKKTPMB-LLVKDONJSA-N 1 0 220.272 1.587 10 0 BDAERO Cc1cc2ncnn2c(NCCC[NH+](C)C)c1 ZINC000035047916 178159506 /nfs/dbraw/zinc/15/95/06/178159506.db2.gz AUUOQOUJPWQINE-UHFFFAOYSA-N 1 0 233.319 1.401 10 0 BDAERO COC[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000643512333 398224598 /nfs/dbraw/zinc/22/45/98/398224598.db2.gz IIBUZIXCQHFCKY-SDDRHHMPSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1cc(NC[C@@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000095068973 178166960 /nfs/dbraw/zinc/16/69/60/178166960.db2.gz KIBBIYPVGRZXTD-MRVPVSSYSA-N 1 0 226.711 1.460 10 0 BDAERO Cc1cc(NC[C@H]2CC[NH2+]C2)nc(C(C)C)n1 ZINC000133807762 178170693 /nfs/dbraw/zinc/17/06/93/178170693.db2.gz AZBXBNNMWJNIRH-NSHDSACASA-N 1 0 234.347 1.930 10 0 BDAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H](C)O ZINC000386928796 398222857 /nfs/dbraw/zinc/22/28/57/398222857.db2.gz SSVDRQDVSSKHRC-UTLUCORTSA-N 1 0 203.326 1.142 10 0 BDAERO CCC[NH2+]CC1(COC)CCOCC1 ZINC000163514364 538928895 /nfs/dbraw/zinc/92/88/95/538928895.db2.gz BEDMJBMCCUXXQY-UHFFFAOYSA-N 1 0 201.310 1.429 10 0 BDAERO Cc1cc(N[C@H]2CCCC[C@@H]2[NH3+])ncn1 ZINC000040727552 178188908 /nfs/dbraw/zinc/18/89/08/178188908.db2.gz SGSVEVVQBYKOCN-UWVGGRQHSA-N 1 0 206.293 1.467 10 0 BDAERO Cc1cc(O)cc(C)c1NC1=[NH+]CCN1 ZINC000039203741 178199075 /nfs/dbraw/zinc/19/90/75/178199075.db2.gz HFUSXPCDABUYDA-UHFFFAOYSA-N 1 0 205.261 1.380 10 0 BDAERO Cc1cc(=O)[nH]c(SC[C@@H]2CCC[NH2+]2)n1 ZINC000043497169 178203983 /nfs/dbraw/zinc/20/39/83/178203983.db2.gz WOYMAJDWLALTKP-QMMMGPOBSA-N 1 0 225.317 1.335 10 0 BDAERO CCOC(=O)[C@H](C)[N+](=O)Cc1ccccc1 ZINC000212358032 343988359 /nfs/dbraw/zinc/98/83/59/343988359.db2.gz NHKDOYKFIWLOMN-AVMBBCFPSA-N 1 0 221.256 1.567 10 0 BDAERO Cc1cc(OCC2CC[NH2+]CC2)nc(Cl)n1 ZINC000095068988 178209849 /nfs/dbraw/zinc/20/98/49/178209849.db2.gz RLASFIKJIFSXCS-UHFFFAOYSA-N 1 0 241.722 1.817 10 0 BDAERO CN[C@@H](C[NH3+])c1csc(Br)c1 ZINC000306642147 361757361 /nfs/dbraw/zinc/75/73/61/361757361.db2.gz RUZJZPVSKRSJSQ-LURJTMIESA-N 1 0 235.150 1.730 10 0 BDAERO Cc1cc(OC[C@H]2CCC[NH2+]C2)ncn1 ZINC000051883214 178212059 /nfs/dbraw/zinc/21/20/59/178212059.db2.gz ZYYVKLDIZOHBBS-JTQLQIEISA-N 1 0 207.277 1.163 10 0 BDAERO [NH3+]Cc1c[nH]c(COCc2ccccc2)n1 ZINC000306642471 361768223 /nfs/dbraw/zinc/76/82/23/361768223.db2.gz TUAYQWFPUBUOBJ-UHFFFAOYSA-N 1 0 217.272 1.585 10 0 BDAERO Cc1cc([C@@H](C)[NH2+]C(C)(C)C(N)=O)c(C)o1 ZINC000040674418 178223253 /nfs/dbraw/zinc/22/32/53/178223253.db2.gz BFEHIQIAUSYWHF-MRVPVSSYSA-N 1 0 224.304 1.811 10 0 BDAERO Cc1cc([C@@H]([NH3+])CCC(N)=O)c(C)s1 ZINC000037483879 178235879 /nfs/dbraw/zinc/23/58/79/178235879.db2.gz FQMOLPDWRCHOHR-VIFPVBQESA-N 1 0 212.318 1.630 10 0 BDAERO Cc1cc([C@@H]([NH2+]CC2CC2)C(N)=O)cc(C)c1O ZINC000038000935 178236892 /nfs/dbraw/zinc/23/68/92/178236892.db2.gz YJAAVZACDSTAQQ-GFCCVEGCSA-N 1 0 248.326 1.535 10 0 BDAERO CC(C)(C)OC(=O)N1CC(F)(F)[C@@H]2C[NH2+]C[C@@H]21 ZINC000238172324 398235440 /nfs/dbraw/zinc/23/54/40/398235440.db2.gz PQXYSUUKESSQRK-SFYZADRCSA-N 1 0 248.273 1.460 10 0 BDAERO Cc1cc([C@@H](O)C[NH2+]C2CC2)ccc1F ZINC000049814518 178238704 /nfs/dbraw/zinc/23/87/04/178238704.db2.gz IKFHCXCSEYUEBP-LBPRGKRZSA-N 1 0 209.264 1.920 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccccc1 ZINC000616569651 538938097 /nfs/dbraw/zinc/93/80/97/538938097.db2.gz JGYVGWYLIDWHRP-ZIAGYGMSSA-N 1 0 246.354 1.733 10 0 BDAERO Cc1cc([C@H]2C[C@]2(C[NH3+])CO)c(C)s1 ZINC000070500171 178268911 /nfs/dbraw/zinc/26/89/11/178268911.db2.gz IXLBXDNKZQHRAT-MNOVXSKESA-N 1 0 211.330 1.790 10 0 BDAERO Cc1cc2c(ncnc2NCC[NH3+])s1 ZINC000020323097 178279677 /nfs/dbraw/zinc/27/96/77/178279677.db2.gz JHFGKWUHKCJCPC-UHFFFAOYSA-N 1 0 208.290 1.370 10 0 BDAERO CCc1cnc(CN2C[C@@H](C)[C@@H]([NH3+])C2)o1 ZINC000576470383 365604825 /nfs/dbraw/zinc/60/48/25/365604825.db2.gz XKTWRFAPJXIEPK-SCZZXKLOSA-N 1 0 209.293 1.016 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)CCC[C@@H]2[NH3+] ZINC000036928890 178285921 /nfs/dbraw/zinc/28/59/21/178285921.db2.gz QGAIHLHHPNTQOR-NSHDSACASA-N 1 0 239.340 1.871 10 0 BDAERO [NH3+][C@@H]1CCOC[C@H]1Cc1ccccc1F ZINC000076642401 398244228 /nfs/dbraw/zinc/24/42/28/398244228.db2.gz MQBKQLVAAKXZKM-ZYHUDNBSSA-N 1 0 209.264 1.732 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2(C)C)[C@@H]1C ZINC000336778173 398244330 /nfs/dbraw/zinc/24/43/30/398244330.db2.gz KNVNARWZNKCKBF-CHWFTXMASA-N 1 0 224.348 1.678 10 0 BDAERO CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)C(C)C ZINC000167078903 538940273 /nfs/dbraw/zinc/94/02/73/538940273.db2.gz MJEAQTKRTSJMAN-WDEREUQCSA-N 1 0 210.325 1.691 10 0 BDAERO CC[N@H+](CCOCCO)C[C@H]1Cc2ccccc21 ZINC000286710226 398249950 /nfs/dbraw/zinc/24/99/50/398249950.db2.gz BTBXRPFCZRDKLK-CQSZACIVSA-N 1 0 249.354 1.657 10 0 BDAERO Cc1ccc(-c2nc(C(C)(C)[NH3+])no2)cn1 ZINC000041052816 178332769 /nfs/dbraw/zinc/33/27/69/178332769.db2.gz IZCDKPLHPHALNQ-UHFFFAOYSA-N 1 0 218.260 1.634 10 0 BDAERO Cc1ccc(-c2nc(C[NH3+])c[nH]2)cc1F ZINC000062820785 178334293 /nfs/dbraw/zinc/33/42/93/178334293.db2.gz QNLIWHCFRKXBRW-UHFFFAOYSA-N 1 0 205.236 1.983 10 0 BDAERO Cc1c([C@H](C)[NH3+])cnn1-c1ccc(C)nn1 ZINC000049961013 178349606 /nfs/dbraw/zinc/34/96/06/178349606.db2.gz QQMJBZPBKKHVLT-QMMMGPOBSA-N 1 0 217.276 1.299 10 0 BDAERO Cc1ccc(-c2nc(C[C@@H](C)[NH3+])no2)cn1 ZINC000054161395 178336035 /nfs/dbraw/zinc/33/60/35/178336035.db2.gz RRXVTBFVWXGROA-SSDOTTSWSA-N 1 0 218.260 1.330 10 0 BDAERO Cc1ccc(-c2nnc(CC[NH3+])o2)c(F)c1 ZINC000083351101 178340799 /nfs/dbraw/zinc/34/07/99/178340799.db2.gz BVMVYCJEFVDENR-UHFFFAOYSA-N 1 0 221.235 1.685 10 0 BDAERO CCC(CC)[N@H+](C)CC[C@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062448930 168369137 /nfs/dbraw/zinc/36/91/37/168369137.db2.gz KSSYKDMKVNFTAN-LBPRGKRZSA-N 1 0 242.363 1.702 10 0 BDAERO OCC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000381675470 398254844 /nfs/dbraw/zinc/25/48/44/398254844.db2.gz XGPRMYJJEZQFTD-QWHCGFSZSA-N 1 0 227.348 1.242 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000381397070 398255314 /nfs/dbraw/zinc/25/53/14/398255314.db2.gz PDCKADIDPQGYBK-FDYHWXHSSA-N 1 0 226.364 1.341 10 0 BDAERO Cc1ccc(=O)n(CC[NH2+]CCC(C)(C)C)n1 ZINC000061811090 178361472 /nfs/dbraw/zinc/36/14/72/178361472.db2.gz AKHCOMZKELHNBH-UHFFFAOYSA-N 1 0 237.347 1.578 10 0 BDAERO Cc1ccc(Br)cc1[C@](C)([NH3+])CO ZINC000077395135 178362378 /nfs/dbraw/zinc/36/23/78/178362378.db2.gz YEHYCOUBSINPJW-SNVBAGLBSA-N 1 0 244.132 1.924 10 0 BDAERO CCN(CC(F)F)C(=O)C1CCC([NH3+])CC1 ZINC000386265168 398264019 /nfs/dbraw/zinc/26/40/19/398264019.db2.gz ZUQJPCLLXRNLEP-UHFFFAOYSA-N 1 0 234.290 1.618 10 0 BDAERO C[C@H]1CCC[C@H](C2C(=O)CCCC2=O)[NH2+]1 ZINC000230796319 538951285 /nfs/dbraw/zinc/95/12/85/538951285.db2.gz SCEBHFOCRNFOPY-DTWKUNHWSA-N 1 0 209.289 1.455 10 0 BDAERO CC(C)(C[NH3+])Cc1cn2ccsc2n1 ZINC000149370817 346826498 /nfs/dbraw/zinc/82/64/98/346826498.db2.gz VEEGLWKPPICXHN-UHFFFAOYSA-N 1 0 209.318 1.923 10 0 BDAERO Cc1ccc(C(=O)CN2CC[C@H]([NH3+])C2)s1 ZINC000050242271 178373789 /nfs/dbraw/zinc/37/37/89/178373789.db2.gz PJJNVLJOHHHXOG-VIFPVBQESA-N 1 0 224.329 1.272 10 0 BDAERO Cc1ccc(C(=O)CN2CC[C@H]([NH3+])C2)c(C)c1 ZINC000050242523 178373855 /nfs/dbraw/zinc/37/38/55/178373855.db2.gz AZATUXCPXLWMML-LBPRGKRZSA-N 1 0 232.327 1.519 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2ccccc2C(N)=O)CC1 ZINC000616612649 349575231 /nfs/dbraw/zinc/57/52/31/349575231.db2.gz XGDJIUOSEYALJF-LLVKDONJSA-N 1 0 232.327 1.985 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000042526130 168374738 /nfs/dbraw/zinc/37/47/38/168374738.db2.gz GGXIWUIUXNQTHK-JQWIXIFHSA-N 1 0 244.379 1.369 10 0 BDAERO c1nc2c([nH]1)C1(C[C@H]3CC[C@@H](C1)S3)[NH2+]CC2 ZINC000403570349 538953398 /nfs/dbraw/zinc/95/33/98/538953398.db2.gz GNOWBLZWYQGBJN-USUYBEQLSA-N 1 0 235.356 1.809 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCNC2=O)cc1F ZINC000179069863 538954522 /nfs/dbraw/zinc/95/45/22/538954522.db2.gz LPQQEUTYSOQTSP-JOYOIKCWSA-N 1 0 236.290 1.673 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2snnc2C)c1 ZINC000381639161 398268195 /nfs/dbraw/zinc/26/81/95/398268195.db2.gz OXNLQEUYDABRMR-UHFFFAOYSA-N 1 0 237.332 1.141 10 0 BDAERO CC[C@@H](C[NH3+])[C@@H](O)c1cc(C)ns1 ZINC000404454336 538955541 /nfs/dbraw/zinc/95/55/41/538955541.db2.gz IOEMQOPNWAFHAX-IONNQARKSA-N 1 0 200.307 1.470 10 0 BDAERO CCN(CC[NH3+])c1cc(C(F)(F)F)ccn1 ZINC000085486556 488178247 /nfs/dbraw/zinc/17/82/47/488178247.db2.gz OUQPOTPEGYOURG-UHFFFAOYSA-N 1 0 233.237 1.885 10 0 BDAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1CC=CCC1 ZINC000189075176 346857328 /nfs/dbraw/zinc/85/73/28/346857328.db2.gz OXCLAYSIIDSAGC-NEPJUHHUSA-N 1 0 222.332 1.553 10 0 BDAERO C[C@@]([NH3+])(C[NH3+])CCOCc1ccccc1 ZINC000143964124 342691239 /nfs/dbraw/zinc/69/12/39/342691239.db2.gz VFAPWFGSMRBOKK-LBPRGKRZSA-N 1 0 208.305 1.269 10 0 BDAERO CCC[C@H](C(=O)NCCOC(C)C)[NH+](C)C ZINC000182697967 538963817 /nfs/dbraw/zinc/96/38/17/538963817.db2.gz NXVLZLQQYBNDDW-LLVKDONJSA-N 1 0 230.352 1.258 10 0 BDAERO CN(c1cnnc(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000306651671 361856137 /nfs/dbraw/zinc/85/61/37/361856137.db2.gz FZRNKWHOPZTSIJ-MRVPVSSYSA-N 1 0 226.711 1.270 10 0 BDAERO CCN1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037164701 538961664 /nfs/dbraw/zinc/96/16/64/538961664.db2.gz WESNALQMOCLORV-STQMWFEESA-N 1 0 226.364 1.364 10 0 BDAERO O=C(Nc1ccsc1Cl)[C@@H]1CC[NH2+]1 ZINC000306654075 361861959 /nfs/dbraw/zinc/86/19/59/361861959.db2.gz HEMWPUSRDMYAKU-LURJTMIESA-N 1 0 216.693 1.702 10 0 BDAERO CCOC(=O)C[C@@H]([NH3+])c1c(F)cccc1F ZINC000057353624 342722868 /nfs/dbraw/zinc/72/28/68/342722868.db2.gz RTJFRKAGLJQMQH-SECBINFHSA-N 1 0 229.226 1.918 10 0 BDAERO CC1(O)CCN(C(=[NH2+])NCc2ccccc2)CC1 ZINC000306657561 361867445 /nfs/dbraw/zinc/86/74/45/361867445.db2.gz JXOLWEIVHSERFY-UHFFFAOYSA-N 1 0 247.342 1.558 10 0 BDAERO N#Cc1cc(F)c(N2CC[NH2+]CC2)cc1F ZINC000166946820 361859514 /nfs/dbraw/zinc/85/95/14/361859514.db2.gz OZOPJOHFUWBMJV-UHFFFAOYSA-N 1 0 223.226 1.246 10 0 BDAERO Cn1ccnc1S[C@H]1CCC[C@@H]1C[NH3+] ZINC000035722651 342758491 /nfs/dbraw/zinc/75/84/91/342758491.db2.gz CIJIFUKDUDQHPZ-BDAKNGLRSA-N 1 0 211.334 1.640 10 0 BDAERO O=Cc1ccc(OCC[NH+]2CCCC2)c(O)c1 ZINC000145936087 342763294 /nfs/dbraw/zinc/76/32/94/342763294.db2.gz MYKBITBFYZNNLM-UHFFFAOYSA-N 1 0 235.283 1.679 10 0 BDAERO c1nc2c(cc1NC1=[NH+]CCN1)CCCC2 ZINC000146758101 342772080 /nfs/dbraw/zinc/77/20/80/342772080.db2.gz PSVIJGBMZYPVMJ-UHFFFAOYSA-N 1 0 216.288 1.332 10 0 BDAERO [NH3+][C@@H]1Cc2c(cc(Cl)cc2Cl)[C@H]1O ZINC000008699404 342802577 /nfs/dbraw/zinc/80/25/77/342802577.db2.gz QBQQEKHSIRVPES-RKDXNWHRSA-N 1 0 218.083 1.910 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)C(C)(C)C ZINC000381900917 398284997 /nfs/dbraw/zinc/28/49/97/398284997.db2.gz CFKYISOAIHBKJL-VIFPVBQESA-N 1 0 200.326 1.617 10 0 BDAERO [NH3+]Cc1cc(O)c(F)c(Br)c1 ZINC000216091164 342814333 /nfs/dbraw/zinc/81/43/33/342814333.db2.gz ZQLYKFOEVNFYRL-UHFFFAOYSA-N 1 0 220.041 1.753 10 0 BDAERO CCC(CC)[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000310038449 168393012 /nfs/dbraw/zinc/39/30/12/168393012.db2.gz WCENGFZNUXVKOK-LLVKDONJSA-N 1 0 222.336 1.680 10 0 BDAERO CC(C)OC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000164727316 342815607 /nfs/dbraw/zinc/81/56/07/342815607.db2.gz UBUPIFJGBQLRKO-BDAKNGLRSA-N 1 0 200.282 1.262 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000378758095 538974114 /nfs/dbraw/zinc/97/41/14/538974114.db2.gz ZFHPBEQQVSHZSN-SDDRHHMPSA-N 1 0 213.321 1.306 10 0 BDAERO Cc1c[nH+]ccc1NC[C@@H](C)N1CCOCC1 ZINC000191978525 538994022 /nfs/dbraw/zinc/99/40/22/538994022.db2.gz KFQQLGXAKNKVOF-GFCCVEGCSA-N 1 0 235.331 1.523 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000380340422 538989350 /nfs/dbraw/zinc/98/93/50/538989350.db2.gz RLAUFLBPXCCDLA-ZJUUUORDSA-N 1 0 209.293 1.111 10 0 BDAERO CC(C)(C)OC(=O)c1ccc(C[NH3+])nc1 ZINC000044547491 538989725 /nfs/dbraw/zinc/98/97/25/538989725.db2.gz WLXUGCBCUIFCFI-UHFFFAOYSA-N 1 0 208.261 1.496 10 0 BDAERO [NH3+][C@H]1C=C[C@H](C(=O)Cc2cncs2)C1 ZINC000226564229 342830445 /nfs/dbraw/zinc/83/04/45/342830445.db2.gz IZWAAMLORZDTLM-YUMQZZPRSA-N 1 0 208.286 1.158 10 0 BDAERO COCC[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000045037571 538990749 /nfs/dbraw/zinc/99/07/49/538990749.db2.gz YKUKCKZBAZMFAH-MNOVXSKESA-N 1 0 201.310 1.570 10 0 BDAERO COc1cccnc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382447794 361937036 /nfs/dbraw/zinc/93/70/36/361937036.db2.gz BTCHRSPILQXBHN-VHSXEESVSA-N 1 0 221.304 1.630 10 0 BDAERO CC(C)NC(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000380030481 538984376 /nfs/dbraw/zinc/98/43/76/538984376.db2.gz QCUAKTDDLPAKMT-JTQLQIEISA-N 1 0 213.325 1.084 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000380964827 538993913 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[NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000034569463 343274967 /nfs/dbraw/zinc/27/49/67/343274967.db2.gz MGHXBZCCOMKWEG-NWDGAFQWSA-N 1 0 218.300 1.686 10 0 BDAERO CCc1nc(C2=CCC[N@H+](C)C2)nn1C ZINC000036438784 343318803 /nfs/dbraw/zinc/31/88/03/343318803.db2.gz DZZYRNOKUMYJRT-UHFFFAOYSA-N 1 0 206.293 1.096 10 0 BDAERO CC1CC(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)C1 ZINC000584047583 343306322 /nfs/dbraw/zinc/30/63/22/343306322.db2.gz UAOUWHXFYJTEMR-IJTJVXSJSA-N 1 0 238.375 1.864 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621371405 343308606 /nfs/dbraw/zinc/30/86/06/343308606.db2.gz CJWCAHKIMMNULP-UTUOFQBUSA-N 1 0 215.337 1.098 10 0 BDAERO CCN(CC)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000036379454 343316895 /nfs/dbraw/zinc/31/68/95/343316895.db2.gz UMUQSXRPZIXWKR-UHFFFAOYSA-N 1 0 248.392 1.048 10 0 BDAERO CC(C)(C)[C@H](N)C[N@@H+]1CCCSCC1 ZINC000157777240 343366161 /nfs/dbraw/zinc/36/61/61/343366161.db2.gz ORIDSFGVRYWVNA-SNVBAGLBSA-N 1 0 216.394 1.799 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccsc1 ZINC000038048957 343368068 /nfs/dbraw/zinc/36/80/68/343368068.db2.gz PMQTUIYSUXVIJP-UWVGGRQHSA-N 1 0 224.329 1.748 10 0 BDAERO CC1(C)CCSC[C@]12OC[C@H](C[NH3+])O2 ZINC000134982570 343343546 /nfs/dbraw/zinc/34/35/46/343343546.db2.gz DCKVYYCQHXITIP-WCBMZHEXSA-N 1 0 217.334 1.220 10 0 BDAERO CCc1cc(N)c(C(=O)OC)c(CC)[nH+]1 ZINC000039087070 343381843 /nfs/dbraw/zinc/38/18/43/343381843.db2.gz QREXJZRRMNPDBX-UHFFFAOYSA-N 1 0 208.261 1.575 10 0 BDAERO CCOc1cc2c(cc1O)CC[NH2+][C@@H]2C ZINC000039099491 343383043 /nfs/dbraw/zinc/38/30/43/343383043.db2.gz RFXZXPZVOOLRQZ-MRVPVSSYSA-N 1 0 207.273 1.998 10 0 BDAERO Cc1ccc2c(c1)[C@@H]1C[NH2+]CC[C@@H]1C2=O ZINC000039105040 343384962 /nfs/dbraw/zinc/38/49/62/343384962.db2.gz BMIILDGYLBULEW-CMPLNLGQSA-N 1 0 201.269 1.884 10 0 BDAERO Cc1cn2cc(CSC(N)=[NH2+])ccc2n1 ZINC000039110260 343385005 /nfs/dbraw/zinc/38/50/05/343385005.db2.gz OUZYPZCYYGYUMD-UHFFFAOYSA-N 1 0 220.301 1.769 10 0 BDAERO CCc1csc([C@H]2CCC[N@H+](CCO)C2)n1 ZINC000177697620 346935946 /nfs/dbraw/zinc/93/59/46/346935946.db2.gz KIKWZDBJVGILKY-JTQLQIEISA-N 1 0 240.372 1.877 10 0 BDAERO CCN1CC[N@H+](C2CCCC2)[C@@H](C)C1=O ZINC000335729729 136348254 /nfs/dbraw/zinc/34/82/54/136348254.db2.gz IJTVGPBIGLZDMA-JTQLQIEISA-N 1 0 210.321 1.482 10 0 BDAERO COc1ccc2c(c1OC)CCC[C@@H]([NH3+])C2 ZINC000149825622 343455137 /nfs/dbraw/zinc/45/51/37/343455137.db2.gz CQIONNVDPHXIIF-SNVBAGLBSA-N 1 0 221.300 1.910 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2CCN(C3CC3)C2)n1 ZINC000054790875 136373076 /nfs/dbraw/zinc/37/30/76/136373076.db2.gz BKRVIOKHMLKKGL-GFCCVEGCSA-N 1 0 232.331 1.111 10 0 BDAERO c1nc(NC[C@@H]2CCC[NH2+]2)cc(N2CCCC2)n1 ZINC000258736375 136373828 /nfs/dbraw/zinc/37/38/28/136373828.db2.gz VTQBGMOBDDNULC-NSHDSACASA-N 1 0 247.346 1.241 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])c2cc(F)cc(F)c2[S@@]1=O ZINC000043637190 343479489 /nfs/dbraw/zinc/47/94/89/343479489.db2.gz MRYKCNGNNRJZSA-OJPCNLBESA-N 1 0 217.240 1.474 10 0 BDAERO CSCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000082725512 343461190 /nfs/dbraw/zinc/46/11/90/343461190.db2.gz LZFQTGPPRILSME-NWDGAFQWSA-N 1 0 228.405 1.908 10 0 BDAERO COC[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944350 343472422 /nfs/dbraw/zinc/47/24/22/343472422.db2.gz JBJIJHCQMRLOQJ-YFKTTZPYSA-N 1 0 227.348 1.672 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000044251580 343496680 /nfs/dbraw/zinc/49/66/80/343496680.db2.gz KIZBEHIKNJMLGG-QMMMGPOBSA-N 1 0 216.643 1.354 10 0 BDAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](O)C2)n1 ZINC000112716785 343508092 /nfs/dbraw/zinc/50/80/92/343508092.db2.gz KADGRXOYAKNGGQ-MNOVXSKESA-N 1 0 236.315 1.489 10 0 BDAERO COc1ccccc1NC(=O)C(C)(C)C[NH3+] ZINC000044751355 343513406 /nfs/dbraw/zinc/51/34/06/343513406.db2.gz XQZYRHITAFVIPG-UHFFFAOYSA-N 1 0 222.288 1.619 10 0 BDAERO OCCc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000165201090 343549783 /nfs/dbraw/zinc/54/97/83/343549783.db2.gz SZDQPZZUZVUBFO-UHFFFAOYSA-N 1 0 220.316 1.021 10 0 BDAERO NC(=O)c1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000616623735 343524490 /nfs/dbraw/zinc/52/44/90/343524490.db2.gz QOOFWFMZSJXZDZ-LBPRGKRZSA-N 1 0 218.300 1.990 10 0 BDAERO COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000310533509 343527718 /nfs/dbraw/zinc/52/77/18/343527718.db2.gz QNBWSYUBGVYQKM-UTUOFQBUSA-N 1 0 241.331 1.032 10 0 BDAERO C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CCO1 ZINC000616663017 343533796 /nfs/dbraw/zinc/53/37/96/343533796.db2.gz OIZSFQAOWNFONY-SECBINFHSA-N 1 0 230.308 1.189 10 0 BDAERO Cc1cc(C)nc(NCC2CC[NH2+]CC2)n1 ZINC000044509238 343505151 /nfs/dbraw/zinc/50/51/51/343505151.db2.gz OSHQQGBEUHVOGP-UHFFFAOYSA-N 1 0 220.320 1.505 10 0 BDAERO C[C@H]([NH3+])[C@@H](N)c1ccc(Br)cc1 ZINC000047845230 343567169 /nfs/dbraw/zinc/56/71/69/343567169.db2.gz KPXSLYDRCRQFRW-IMTBSYHQSA-N 1 0 229.121 1.796 10 0 BDAERO CCC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@H]1CC1(C)C ZINC000624239048 343587461 /nfs/dbraw/zinc/58/74/61/343587461.db2.gz BXRMFKDYVHPTEP-XQHKEYJVSA-N 1 0 241.375 1.941 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cncs3)C[C@@H]2C1 ZINC000398791023 488224791 /nfs/dbraw/zinc/22/47/91/488224791.db2.gz NNDCWCCZRSZPJS-GARJFASQSA-N 1 0 238.356 1.736 10 0 BDAERO Cc1nsc(N2CC[C@H](C)[C@H]2C[NH3+])n1 ZINC000299915430 343629340 /nfs/dbraw/zinc/62/93/40/343629340.db2.gz UUIIJQOQWBXSHA-POYBYMJQSA-N 1 0 212.322 1.020 10 0 BDAERO Cn1cc([C@H]2[NH2+]CCc3ccsc32)cn1 ZINC000712581959 537794380 /nfs/dbraw/zinc/79/43/80/537794380.db2.gz NDYBNIRZNZSFQG-SNVBAGLBSA-N 1 0 219.313 1.717 10 0 BDAERO c1cc2c(s1)[C@@]1(CN3CCC1CC3)[NH2+]CC2 ZINC000712588140 537795464 /nfs/dbraw/zinc/79/54/64/537795464.db2.gz UYWYECRIJTWJLS-ZDUSSCGKSA-N 1 0 234.368 1.815 10 0 BDAERO C[NH2+][C@@H]1c2cc(F)ccc2[S@](=O)[C@@H]1C ZINC000043636834 343633965 /nfs/dbraw/zinc/63/39/65/343633965.db2.gz SMVQTYBGRYKSQA-VWECJSDFSA-N 1 0 213.277 1.596 10 0 BDAERO C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000231480347 343670856 /nfs/dbraw/zinc/67/08/56/343670856.db2.gz UGROSFSYFZFMLJ-GMTAPVOTSA-N 1 0 210.321 1.243 10 0 BDAERO COc1cc2c3c([nH]c2c(OC)c1)C[NH2+]CC3 ZINC000082603943 537804818 /nfs/dbraw/zinc/80/48/18/537804818.db2.gz XWVHLRWLFKXKIV-UHFFFAOYSA-N 1 0 232.283 1.831 10 0 BDAERO C1CC1[C@H]1CC[NH+]=C2N[C@H]3CCCC[C@H]3N21 ZINC000300019333 537802718 /nfs/dbraw/zinc/80/27/18/537802718.db2.gz ZOIHCXKZEKQGAY-QJPTWQEYSA-N 1 0 219.332 1.741 10 0 BDAERO Cc1nc[nH]c1CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000380250602 343711563 /nfs/dbraw/zinc/71/15/63/343711563.db2.gz ZOHOKZQHRNQBJK-ILWJIGKKSA-N 1 0 219.288 1.380 10 0 BDAERO [NH3+]C1(c2csc([C@H]3CCOC3)n2)CC1 ZINC000165554412 343718222 /nfs/dbraw/zinc/71/82/22/343718222.db2.gz CYKLGRCJTWTAGC-ZETCQYMHSA-N 1 0 210.302 1.595 10 0 BDAERO C[C@@H](Cc1ccccc1)N1CC[NH2+]CC1 ZINC000019729160 343773992 /nfs/dbraw/zinc/77/39/92/343773992.db2.gz VHWUWURPJISUNJ-LBPRGKRZSA-N 1 0 204.317 1.523 10 0 BDAERO CC(C)(C)c1ccc(C(=O)N2CC([NH3+])C2)cc1 ZINC000111367863 343786282 /nfs/dbraw/zinc/78/62/82/343786282.db2.gz BJVNEHGGVHOEMV-UHFFFAOYSA-N 1 0 232.327 1.767 10 0 BDAERO Nc1cc(NC[C@@H]2CCCO2)nc(C2CC2)[nH+]1 ZINC000126921205 343787719 /nfs/dbraw/zinc/78/77/19/343787719.db2.gz BWCUJRCWWAWVEF-VIFPVBQESA-N 1 0 234.303 1.527 10 0 BDAERO CCOC[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000313224034 343791478 /nfs/dbraw/zinc/79/14/78/343791478.db2.gz DGUYSZIOKZDDTF-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO c1cc(OC2CC[NH2+]CC2)cc2c1OCC2 ZINC000215693613 343792651 /nfs/dbraw/zinc/79/26/51/343792651.db2.gz VHDCIUCBPPLPIX-UHFFFAOYSA-N 1 0 219.284 1.752 10 0 BDAERO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@H]1C1CC1 ZINC000225935717 343793160 /nfs/dbraw/zinc/79/31/60/343793160.db2.gz YMTFUHMWLZUZGC-UONOGXRCSA-N 1 0 216.328 1.856 10 0 BDAERO Cn1nccc1-c1ccc(F)cc1C[NH3+] ZINC000236092239 343795344 /nfs/dbraw/zinc/79/53/44/343795344.db2.gz XIEHBBIKFHLROE-UHFFFAOYSA-N 1 0 205.236 1.685 10 0 BDAERO CCOc1cccc2c1CCN2C(=O)[C@H](C)[NH3+] ZINC000409428312 343803029 /nfs/dbraw/zinc/80/30/29/343803029.db2.gz MDQVYJDRJPPGLY-VIFPVBQESA-N 1 0 234.299 1.322 10 0 BDAERO [NH3+]Cc1cn2c(n1)CO[C@@H](c1cccs1)C2 ZINC000409427692 343801618 /nfs/dbraw/zinc/80/16/18/343801618.db2.gz KOSKTEBELJFABB-SECBINFHSA-N 1 0 235.312 1.675 10 0 BDAERO CS[C@@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179312342 346980239 /nfs/dbraw/zinc/98/02/39/346980239.db2.gz VZSIBYXMJZFQOP-WDEREUQCSA-N 1 0 242.388 1.435 10 0 BDAERO OCc1ccc2c(c1)C[N@H+](C1CC1)CCO2 ZINC000409424344 343817344 /nfs/dbraw/zinc/81/73/44/343817344.db2.gz YQOYDCJIJULUSP-UHFFFAOYSA-N 1 0 219.284 1.536 10 0 BDAERO O=C([C@H]1CCCC[NH2+]1)N1CCC[C@H](C(F)F)C1 ZINC000409431868 343823141 /nfs/dbraw/zinc/82/31/41/343823141.db2.gz UBAVPIVIKCDDBA-VHSXEESVSA-N 1 0 246.301 1.632 10 0 BDAERO c1ccc(COC[C@@H]2CC[NH2+]CCO2)cc1 ZINC000409431430 343823420 /nfs/dbraw/zinc/82/34/20/343823420.db2.gz JYXLFEXQZKLJEH-ZDUSSCGKSA-N 1 0 221.300 1.582 10 0 BDAERO C[C@H]1CCCN(c2cc(OCC[NH3+])ncn2)C1 ZINC000409429121 343804730 /nfs/dbraw/zinc/80/47/30/343804730.db2.gz BYAOAIQJVURHPD-JTQLQIEISA-N 1 0 236.319 1.050 10 0 BDAERO FC(F)(F)CNc1ncc2c(n1)CC[NH2+]C2 ZINC000400700293 343810994 /nfs/dbraw/zinc/81/09/94/343810994.db2.gz OQKVBQUQJGFKBW-UHFFFAOYSA-N 1 0 232.209 1.097 10 0 BDAERO OCCC1CC[NH+](C2CCOCC2)CC1 ZINC000401165886 343811582 /nfs/dbraw/zinc/81/15/82/343811582.db2.gz VDMBMHWSPCCBMA-UHFFFAOYSA-N 1 0 213.321 1.260 10 0 BDAERO CCn1ccn2nc(C3CC3)c(C[NH3+])c12 ZINC000409439931 343853910 /nfs/dbraw/zinc/85/39/10/343853910.db2.gz UMJIWBZEJOLTLC-UHFFFAOYSA-N 1 0 204.277 1.492 10 0 BDAERO NC(=[NH2+])Cn1ccc(-c2cccs2)n1 ZINC000409441254 343855297 /nfs/dbraw/zinc/85/52/97/343855297.db2.gz QKAFKLJKUUGNQL-UHFFFAOYSA-N 1 0 206.274 1.548 10 0 BDAERO [NH3+]Cc1cncc(N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000409441246 343855628 /nfs/dbraw/zinc/85/56/28/343855628.db2.gz OHQFJAYHRMKPDG-RYUDHWBXSA-N 1 0 217.316 1.777 10 0 BDAERO COCc1ccc2c(c1)N(C(N)=[NH2+])CC2 ZINC000409434434 343831601 /nfs/dbraw/zinc/83/16/01/343831601.db2.gz PDKFOAICHPKQLG-UHFFFAOYSA-N 1 0 205.261 1.089 10 0 BDAERO COC[C@@H]1CN(C(N)=[NH2+])CC12CCCC2 ZINC000409434451 343831662 /nfs/dbraw/zinc/83/16/62/343831662.db2.gz PFSWRDBTVBGEBZ-VIFPVBQESA-N 1 0 211.309 1.018 10 0 BDAERO O=[N+]([O-])c1ccc(C[C@@H](O)[C@@H]2CCC[NH2+]2)cc1 ZINC000215368699 349875924 /nfs/dbraw/zinc/87/59/24/349875924.db2.gz CBURWGINZWRUOM-NWDGAFQWSA-N 1 0 236.271 1.250 10 0 BDAERO NC(=[NH2+])c1cn(CCF)nc1-c1cccs1 ZINC000409437486 343843587 /nfs/dbraw/zinc/84/35/87/343843587.db2.gz HANNTMFODGZQSF-UHFFFAOYSA-N 1 0 238.291 1.865 10 0 BDAERO CN[C@H](c1noc(C2CC2)n1)c1ccncc1 ZINC000409438565 343844855 /nfs/dbraw/zinc/84/48/55/343844855.db2.gz DCSRXAZDNDVMFR-JTQLQIEISA-N 1 0 230.271 1.651 10 0 BDAERO c1cn([C@H]2CCC[NH2+]C2)nc1-c1cnccn1 ZINC000409438682 343844936 /nfs/dbraw/zinc/84/49/36/343844936.db2.gz FCVGLLFRHJRBEY-JTQLQIEISA-N 1 0 229.287 1.265 10 0 BDAERO [NH3+][C@H](C[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)[O-] ZINC000409438942 343845955 /nfs/dbraw/zinc/84/59/55/343845955.db2.gz FDERBAPGJDUIQS-OLZOCXBDSA-N 1 0 248.326 1.626 10 0 BDAERO CN1C(=O)[C@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000409439297 343846799 /nfs/dbraw/zinc/84/67/99/343846799.db2.gz GPKNBNHORLNGTM-ZJUUUORDSA-N 1 0 224.691 1.571 10 0 BDAERO c1cn(C2CC[NH2+]CC2)nc1-c1cccnc1 ZINC000409437868 343849205 /nfs/dbraw/zinc/84/92/05/343849205.db2.gz ARTYVRAMHBITJH-UHFFFAOYSA-N 1 0 228.299 1.870 10 0 BDAERO CC(C)N(C(=O)OC(C)(C)C)[C@H](C)C(=[NH2+])NO ZINC000409441638 343860179 /nfs/dbraw/zinc/86/01/79/343860179.db2.gz QCGKFWTVBKHQSY-MRVPVSSYSA-N 1 0 245.323 1.976 10 0 BDAERO CN1C(=O)[C@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000409442606 343860987 /nfs/dbraw/zinc/86/09/87/343860987.db2.gz XXHXHWMTBRSUSL-ZJUUUORDSA-N 1 0 208.236 1.056 10 0 BDAERO CC(C)Cn1nc([C@H]2CCCC[NH2+]2)cc1CO ZINC000409443682 343862264 /nfs/dbraw/zinc/86/22/64/343862264.db2.gz RLHFBXPNYFHBHX-GFCCVEGCSA-N 1 0 237.347 1.846 10 0 BDAERO NC(=[NH2+])c1cc(C(F)(F)F)nn1CCF ZINC000409442803 343864310 /nfs/dbraw/zinc/86/43/10/343864310.db2.gz AUHCINSUTMIFGG-UHFFFAOYSA-N 1 0 224.161 1.155 10 0 BDAERO C[NH2+]Cc1cc(C(F)(F)F)nn1CCF ZINC000409442817 343864448 /nfs/dbraw/zinc/86/44/48/343864448.db2.gz BBWVWHPIWXYIJW-UHFFFAOYSA-N 1 0 225.189 1.591 10 0 BDAERO CC[NH+](CC)CCn1cc(Cl)c(N)n1 ZINC000069759569 537831695 /nfs/dbraw/zinc/83/16/95/537831695.db2.gz ZCYFXVRUMJFHLJ-UHFFFAOYSA-N 1 0 216.716 1.461 10 0 BDAERO CCn1nc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000409443057 343865564 /nfs/dbraw/zinc/86/55/64/343865564.db2.gz GETFULKYHRQVMJ-UHFFFAOYSA-N 1 0 206.171 1.206 10 0 BDAERO Cc1ccc(C[NH2+]CCN(C)C)cc1C ZINC000034991090 178606262 /nfs/dbraw/zinc/60/62/62/178606262.db2.gz GXYGRWWQPCZFDX-UHFFFAOYSA-N 1 0 206.333 1.955 10 0 BDAERO FC(F)(F)c1cnn([C@@H]2CC[NH2+]C2)c1 ZINC000070018992 343946739 /nfs/dbraw/zinc/94/67/39/343946739.db2.gz IUVQAYSQHOVTRL-SSDOTTSWSA-N 1 0 205.183 1.436 10 0 BDAERO CC[C@](C)(C[NH3+])N1CCOC(C)(C)C1 ZINC000036232265 343972985 /nfs/dbraw/zinc/97/29/85/343972985.db2.gz KIPWOWGZWWUZNW-LLVKDONJSA-N 1 0 200.326 1.225 10 0 BDAERO CCC1(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)CCOCC1 ZINC000335877028 344045854 /nfs/dbraw/zinc/04/58/54/344045854.db2.gz LWAAZANUCGYNKY-QWHCGFSZSA-N 1 0 241.375 1.896 10 0 BDAERO CS[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC000307635340 343955850 /nfs/dbraw/zinc/95/58/50/343955850.db2.gz RJVUIHOZVKLDHG-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO CC(C)([NH3+])COc1ccc(Cl)cn1 ZINC000070838103 343956267 /nfs/dbraw/zinc/95/62/67/343956267.db2.gz YOLCODMBVCJNHM-UHFFFAOYSA-N 1 0 200.669 1.851 10 0 BDAERO O=c1sccn1CC[C@H]1CCCC[NH2+]1 ZINC000070914609 343957508 /nfs/dbraw/zinc/95/75/08/343957508.db2.gz VWGRRYLYACGNBB-SECBINFHSA-N 1 0 212.318 1.442 10 0 BDAERO CC[C@@H](C)C[NH2+][C@@H]1CCCn2ncnc21 ZINC000093080469 343962780 /nfs/dbraw/zinc/96/27/80/343962780.db2.gz UPQLHRFIKJKIPX-NXEZZACHSA-N 1 0 208.309 1.749 10 0 BDAERO CC1(C)C[N@@H+]([C@@H]2CCC(=O)C2)CCS1 ZINC000135215120 343968763 /nfs/dbraw/zinc/96/87/63/343968763.db2.gz NEMNZXRTTQWETP-SECBINFHSA-N 1 0 213.346 1.935 10 0 BDAERO CCCc1nsc(NC[C@@H](C)[NH2+]CC)n1 ZINC000387695817 347022692 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/nfs/dbraw/zinc/24/55/20/344245520.db2.gz IWESNXNAPKIGKQ-UHFFFAOYSA-N 1 0 201.273 1.982 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)[C@@H]1C ZINC000634761439 344250042 /nfs/dbraw/zinc/25/00/42/344250042.db2.gz BMRNNBGFDUCIKC-NMKXLXIOSA-N 1 0 236.359 1.633 10 0 BDAERO CC[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634762489 344254814 /nfs/dbraw/zinc/25/48/14/344254814.db2.gz YMBFWOADHCPCDT-DYEKYZERSA-N 1 0 236.359 1.635 10 0 BDAERO C[C@H]1C[N@H+](CC2=CCCOC2)CCS1 ZINC000131407158 344277121 /nfs/dbraw/zinc/27/71/21/344277121.db2.gz AQGRNTFXTFGWIW-JTQLQIEISA-N 1 0 213.346 1.770 10 0 BDAERO CCOC[C@@H]([NH3+])COc1ccc(F)cc1 ZINC000215673666 349906916 /nfs/dbraw/zinc/90/69/16/349906916.db2.gz KBILPVXURLWXLN-SNVBAGLBSA-N 1 0 213.252 1.568 10 0 BDAERO O=C(N[C@H]1CCCC12CC2)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772277 344288782 /nfs/dbraw/zinc/28/87/82/344288782.db2.gz DLUGFMZGADPYRH-HUBLWGQQSA-N 1 0 248.370 1.825 10 0 BDAERO CC(C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247495738 344290313 /nfs/dbraw/zinc/29/03/13/344290313.db2.gz UPDVYABCPQIXLA-NEPJUHHUSA-N 1 0 239.363 1.521 10 0 BDAERO CNc1ccc([C@H]2CN(C)CCO2)cc1 ZINC000218787853 344243552 /nfs/dbraw/zinc/24/35/52/344243552.db2.gz NDJRICDCGKHWPA-GFCCVEGCSA-N 1 0 206.289 1.731 10 0 BDAERO [NH3+]CC[C@H](O)c1scnc1Br ZINC000236215455 344320023 /nfs/dbraw/zinc/32/00/23/344320023.db2.gz VVEZWUQIBUNLKA-BYPYZUCNSA-N 1 0 237.122 1.288 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2ccccc21 ZINC000385158285 344355692 /nfs/dbraw/zinc/35/56/92/344355692.db2.gz AOCXJVZKTXVKEP-NXEZZACHSA-N 1 0 228.299 1.556 10 0 BDAERO Cc1ccc(Cl)cc1C(=O)NC1C[NH2+]C1 ZINC000125060115 178662846 /nfs/dbraw/zinc/66/28/46/178662846.db2.gz VXRAQNHXDDGZJR-UHFFFAOYSA-N 1 0 224.691 1.350 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1nnc(C(F)F)s1 ZINC000385265571 344384904 /nfs/dbraw/zinc/38/49/04/344384904.db2.gz RFHRBSSLWKUEBB-RFZPGFLSSA-N 1 0 234.275 1.402 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2CO[C@H](C)C2)=[NH+]1 ZINC000402136130 344434240 /nfs/dbraw/zinc/43/42/40/344434240.db2.gz IQDQPYMXTWDDIH-PRJMDXOYSA-N 1 0 200.307 1.245 10 0 BDAERO C[NH2+][C@@H]1CCC2(C[C@@H]1OC(C)(C)C)OCCO2 ZINC000044095906 344391937 /nfs/dbraw/zinc/39/19/37/344391937.db2.gz NVOMTTHTSJJNIN-MNOVXSKESA-N 1 0 243.347 1.685 10 0 BDAERO C[C@@H]1CN(c2cc(C(C)(C)C)ncn2)C[C@H]1C[NH3+] ZINC000634812719 344396965 /nfs/dbraw/zinc/39/69/65/344396965.db2.gz PTUFRLZKQLOFKR-GHMZBOCLSA-N 1 0 248.374 1.805 10 0 BDAERO CCc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000634812124 344398064 /nfs/dbraw/zinc/39/80/64/344398064.db2.gz ALLMMYZRLADTTQ-ZJUUUORDSA-N 1 0 220.320 1.070 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@H](C[NH3+])C2CCCC2)O1 ZINC000300144893 344399452 /nfs/dbraw/zinc/39/94/52/344399452.db2.gz UKPQGYZPZLNORR-YUSALJHKSA-N 1 0 240.347 1.188 10 0 BDAERO CC[C@@H]1C[C@H]1C[NH2+]Cc1c(C)nn(C)c1OC ZINC000387733895 347048413 /nfs/dbraw/zinc/04/84/13/347048413.db2.gz TVZLZJHVAJGDPY-MNOVXSKESA-N 1 0 237.347 1.873 10 0 BDAERO C[C@H]1C[C@H](NC2=[NH+]CCCS2)CO1 ZINC000402174992 344448461 /nfs/dbraw/zinc/44/84/61/344448461.db2.gz WXUGCVVBQNJSSJ-YUMQZZPRSA-N 1 0 200.307 1.246 10 0 BDAERO COc1cccnc1C(=O)[C@@H]1CCC[NH2+]1 ZINC000234905474 344467720 /nfs/dbraw/zinc/46/77/20/344467720.db2.gz QAJHBTYRVCHSAT-QMMMGPOBSA-N 1 0 206.245 1.025 10 0 BDAERO CC(C)SCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000381495936 344512905 /nfs/dbraw/zinc/51/29/05/344512905.db2.gz BEPLRTKZICLCOB-ZJUUUORDSA-N 1 0 230.377 1.385 10 0 BDAERO CCOC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000044368048 344539854 /nfs/dbraw/zinc/53/98/54/344539854.db2.gz YBILPLCFBZYHBH-VIFPVBQESA-N 1 0 200.282 1.346 10 0 BDAERO N#CCc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000044370958 344540170 /nfs/dbraw/zinc/54/01/70/344540170.db2.gz WTNBHTMEAGLOSZ-UHFFFAOYSA-N 1 0 216.284 1.883 10 0 BDAERO FCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152404748 344541338 /nfs/dbraw/zinc/54/13/38/344541338.db2.gz NANLPRWIQPJKCQ-LBPRGKRZSA-N 1 0 224.279 1.894 10 0 BDAERO F[C@@H](C1CC[NH2+]CC1)C1CCOCC1 ZINC000158140826 344554607 /nfs/dbraw/zinc/55/46/07/344554607.db2.gz HZSUMFPYSOWSTR-NSHDSACASA-N 1 0 201.285 1.751 10 0 BDAERO Nc1ccc([C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616617741 344562294 /nfs/dbraw/zinc/56/22/94/344562294.db2.gz IGNYBNPOKUVILN-LBPRGKRZSA-N 1 0 220.316 1.441 10 0 BDAERO Nc1c[nH+]ccc1N[C@@H]1CCCSC1 ZINC000220649690 344563871 /nfs/dbraw/zinc/56/38/71/344563871.db2.gz XRGLHTRAGGOZRL-MRVPVSSYSA-N 1 0 209.318 1.971 10 0 BDAERO C[C@@H]1C[C@H](C)CN1Cc1nnsc1N ZINC000158206356 344563911 /nfs/dbraw/zinc/56/39/11/344563911.db2.gz DBMSMDHLGXTPOM-NKWVEPMBSA-N 1 0 212.322 1.351 10 0 BDAERO Nc1c[nH+]ccc1N[C@H]1CCCSC1 ZINC000220649756 344563967 /nfs/dbraw/zinc/56/39/67/344563967.db2.gz XRGLHTRAGGOZRL-QMMMGPOBSA-N 1 0 209.318 1.971 10 0 BDAERO C[C@@H]1SCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000220670355 344567528 /nfs/dbraw/zinc/56/75/28/344567528.db2.gz NYTGOWFJVVNPSS-ONGXEEELSA-N 1 0 215.362 1.897 10 0 BDAERO C[C@@H]1C[C@H](NC(=[NH2+])NCc2ccccc2)CO1 ZINC000401524620 362418698 /nfs/dbraw/zinc/41/86/98/362418698.db2.gz SQQGXYJYLICLMM-PWSUYJOCSA-N 1 0 233.315 1.478 10 0 BDAERO CCOCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152494299 344580986 /nfs/dbraw/zinc/58/09/86/344580986.db2.gz WFYJBRXZUMUVQL-CYBMUJFWSA-N 1 0 236.315 1.571 10 0 BDAERO [NH3+]C[C@H](CO)c1ccc(OC(F)(F)F)cc1 ZINC000396134550 344612461 /nfs/dbraw/zinc/61/24/61/344612461.db2.gz VLFJJPCAZVQRKB-MRVPVSSYSA-N 1 0 235.205 1.620 10 0 BDAERO C[C@H](c1ccc(Cl)s1)N1C[C@@H]([NH3+])C1=O ZINC000227621174 344660390 /nfs/dbraw/zinc/66/03/90/344660390.db2.gz ZAVSERGSTRMFEP-PHDIDXHHSA-N 1 0 230.720 1.632 10 0 BDAERO [NH3+][C@@H]1CN(c2cccc(Cl)c2Cl)C1=O ZINC000227619713 344645522 /nfs/dbraw/zinc/64/55/22/344645522.db2.gz OOGRHWSPWQEKBI-ZCFIWIBFSA-N 1 0 231.082 1.667 10 0 BDAERO CC[NH2+][C@H](C)CNc1nc(CC)cc(CC)n1 ZINC000387523616 344696025 /nfs/dbraw/zinc/69/60/25/344696025.db2.gz ILAIGMFCAGIKFM-SNVBAGLBSA-N 1 0 236.363 1.433 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1CSC ZINC000399996969 344748947 /nfs/dbraw/zinc/74/89/47/344748947.db2.gz KNAPFNOGCYBCGN-VHSXEESVSA-N 1 0 230.377 1.468 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000050564910 344711224 /nfs/dbraw/zinc/71/12/24/344711224.db2.gz FVULMIVWUCSLQG-HLTSFMKQSA-N 1 0 200.351 1.781 10 0 BDAERO CS[C@@H]1CC[C@H](N2CC[C@@H]([NH3+])C2)C1 ZINC000235123139 344804719 /nfs/dbraw/zinc/80/47/19/344804719.db2.gz RYSZVOXOMQIFJW-KXUCPTDWSA-N 1 0 200.351 1.304 10 0 BDAERO O=C(N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)F ZINC000062810295 347082113 /nfs/dbraw/zinc/08/21/13/347082113.db2.gz IQJAYHHEAXQFLX-RNJXMRFFSA-N 1 0 236.237 1.053 10 0 BDAERO CCOC(=O)c1ccc(N2C[C@@H]([NH3+])C[C@H]2C)nc1 ZINC000600962836 344836799 /nfs/dbraw/zinc/83/67/99/344836799.db2.gz NMTRJDCZDQRZBY-KOLCDFICSA-N 1 0 249.314 1.184 10 0 BDAERO CN1CCO[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000234320755 537865378 /nfs/dbraw/zinc/86/53/78/537865378.db2.gz NFBRKMGHRBGZBZ-LLVKDONJSA-N 1 0 212.337 1.097 10 0 BDAERO CSC1(CNc2cccc(N)[nH+]2)CC1 ZINC000235188077 344839227 /nfs/dbraw/zinc/83/92/27/344839227.db2.gz LHXSYJHLSILHTJ-UHFFFAOYSA-N 1 0 209.318 1.971 10 0 BDAERO Cn1c2c(nc1C(F)(F)F)CC[NH2+]C2 ZINC000039105430 344849266 /nfs/dbraw/zinc/84/92/66/344849266.db2.gz SORBNBGEZQLKLN-UHFFFAOYSA-N 1 0 205.183 1.085 10 0 BDAERO CSC1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC000235248640 344856920 /nfs/dbraw/zinc/85/69/20/344856920.db2.gz XPYOQPYWZVWXDW-KPPDAEKUSA-N 1 0 214.378 1.694 10 0 BDAERO [NH3+]C[C@@](O)(C1=CCSCC1)C(F)(F)F ZINC000675053441 537866588 /nfs/dbraw/zinc/86/65/88/537866588.db2.gz NWMWMTVDKKWLAS-SSDOTTSWSA-N 1 0 227.251 1.302 10 0 BDAERO CS[C@H]1CC[C@@H](NC2=[NH+]CCS2)C1 ZINC000235266121 344864057 /nfs/dbraw/zinc/86/40/57/344864057.db2.gz XGNOAZMGORAGIU-SFYZADRCSA-N 1 0 216.375 1.963 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CC2)C[C@@H](C)S1 ZINC000235330724 344886645 /nfs/dbraw/zinc/88/66/45/344886645.db2.gz MUXXUGOCSBODOG-RKDXNWHRSA-N 1 0 200.351 1.304 10 0 BDAERO COC[C@H](C)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000249250271 537871027 /nfs/dbraw/zinc/87/10/27/537871027.db2.gz 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/nfs/dbraw/zinc/44/57/23/346445723.db2.gz WMNHEOHPEKJSOK-SNVBAGLBSA-N 1 0 221.304 1.136 10 0 BDAERO C[C@@](CC[NH3+])(NC(=O)C1CCC1)C(F)F ZINC000669379554 537979788 /nfs/dbraw/zinc/97/97/88/537979788.db2.gz FEDFBGOJEHCKEM-JTQLQIEISA-N 1 0 220.263 1.275 10 0 BDAERO C[C@H]1C[NH2+]CC[C@]12NC(C)(C)CS2 ZINC000229565733 346437696 /nfs/dbraw/zinc/43/76/96/346437696.db2.gz PSTQFPVZQSBAAI-WCBMZHEXSA-N 1 0 200.351 1.427 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282455647 179098286 /nfs/dbraw/zinc/09/82/86/179098286.db2.gz SSIAASWKRATDDA-WCQYABFASA-N 1 0 232.327 1.752 10 0 BDAERO [NH3+]CC[C@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000070073937 349965693 /nfs/dbraw/zinc/96/56/93/349965693.db2.gz DTSOWLAKXXMGLV-LLVKDONJSA-N 1 0 246.358 1.531 10 0 BDAERO OC1CCN([C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241811 537981148 /nfs/dbraw/zinc/98/11/48/537981148.db2.gz QWNAINPHELQFCE-NEPJUHHUSA-N 1 0 224.348 1.070 10 0 BDAERO Nc1cccc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000148833189 346464064 /nfs/dbraw/zinc/46/40/64/346464064.db2.gz FJUIGBXIPOLDPN-JTQLQIEISA-N 1 0 206.289 1.647 10 0 BDAERO CCOc1nccnc1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000574976693 346477362 /nfs/dbraw/zinc/47/73/62/346477362.db2.gz UPUZCPLSXZBDLL-VHSXEESVSA-N 1 0 236.319 1.049 10 0 BDAERO Cc1cccc(C[C@]2(O)CCC[NH2+]C2)c1 ZINC000071509479 179106768 /nfs/dbraw/zinc/10/67/68/179106768.db2.gz IRZDYOSPDMWJDE-CYBMUJFWSA-N 1 0 205.301 1.652 10 0 BDAERO Cc1cccc(C[C@@H](O)[C@@H]2CCC[NH2+]C2)c1 ZINC000041232884 179104039 /nfs/dbraw/zinc/10/40/39/179104039.db2.gz DHOSWQNHXQXXCQ-ZIAGYGMSSA-N 1 0 219.328 1.898 10 0 BDAERO C[NH2+]C[C@H]1CCN(C)[C@@H]1c1nccs1 ZINC000161676807 346496130 /nfs/dbraw/zinc/49/61/30/346496130.db2.gz MTBQSRAYFWGPSK-BDAKNGLRSA-N 1 0 211.334 1.355 10 0 BDAERO Cc1cccc(C[C@@H]2C[NH2+]CC[C@@H]2O)c1 ZINC000071509475 179104332 /nfs/dbraw/zinc/10/43/32/179104332.db2.gz BFVUDLQETVYXCS-OLZOCXBDSA-N 1 0 205.301 1.508 10 0 BDAERO Cc1cccc(C[C@@H]([NH3+])[C@@H]2CCOC2)c1 ZINC000052127179 179104445 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/nfs/dbraw/zinc/59/90/59/346599059.db2.gz FCJLALHVEWYQKL-DTWKUNHWSA-N 1 0 212.318 1.939 10 0 BDAERO CC[C@@H](CCO)C[NH2+]C[C@H](O)C(C)(C)C ZINC000380053843 365832640 /nfs/dbraw/zinc/83/26/40/365832640.db2.gz XUICVLZIFRIAND-QWRGUYRKSA-N 1 0 217.353 1.392 10 0 BDAERO C[C@@]1(C(=O)NCc2ccccc2)CCC[C@H]1[NH3+] ZINC000165713992 346657296 /nfs/dbraw/zinc/65/72/96/346657296.db2.gz VFWPTBWHYDAKIL-TZMCWYRMSA-N 1 0 232.327 1.820 10 0 BDAERO Cc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000124159344 179132093 /nfs/dbraw/zinc/13/20/93/179132093.db2.gz KKWAFKBKNIANTA-NSHDSACASA-N 1 0 248.330 1.558 10 0 BDAERO CS[C@H](C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000308153848 346705688 /nfs/dbraw/zinc/70/56/88/346705688.db2.gz SGLYVDOGYFSCFX-BDAKNGLRSA-N 1 0 205.367 1.735 10 0 BDAERO CCC(F)(F)CN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000641818450 362770462 /nfs/dbraw/zinc/77/04/62/362770462.db2.gz FLLDCGNPNATVEK-ZJUUUORDSA-N 1 0 236.306 1.470 10 0 BDAERO Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](C)O)C2)n1 ZINC000248657221 179147669 /nfs/dbraw/zinc/14/76/69/179147669.db2.gz SFNOSHGVQKARAY-QWHCGFSZSA-N 1 0 249.358 1.505 10 0 BDAERO Cc1cccc(OCC[C@@H](C[NH3+])N(C)C)c1 ZINC000019663667 179169830 /nfs/dbraw/zinc/16/98/30/179169830.db2.gz MBENTOKYEPZJDU-LBPRGKRZSA-N 1 0 222.332 1.653 10 0 BDAERO CC(C)CC[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000378662566 346800195 /nfs/dbraw/zinc/80/01/95/346800195.db2.gz AQHFTVGLZGXZNI-IJLUTSLNSA-N 1 0 215.337 1.551 10 0 BDAERO Cc1cccc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000051883505 179170322 /nfs/dbraw/zinc/17/03/22/179170322.db2.gz UVOMAUWXFHZIQJ-NSHDSACASA-N 1 0 206.289 1.911 10 0 BDAERO Cc1cccc(OC[C@@H](O)C[NH+](C)C)c1 ZINC000026444019 179171220 /nfs/dbraw/zinc/17/12/20/179171220.db2.gz AIECXLLNIAEJIV-NSHDSACASA-N 1 0 209.289 1.296 10 0 BDAERO Cc1cccc(OC[C@H]2C[NH2+]CCO2)c1C ZINC000011587402 179172076 /nfs/dbraw/zinc/17/20/76/179172076.db2.gz JZSIVWQQJGNSAR-GFCCVEGCSA-N 1 0 221.300 1.671 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)C1CCCCC1 ZINC000390602617 259394407 /nfs/dbraw/zinc/39/44/07/259394407.db2.gz BPSBIAQTPVURSV-KOLCDFICSA-N 1 0 226.320 1.653 10 0 BDAERO COc1cc(-c2ccc(C[NH3+])c(F)n2)ccn1 ZINC000725242457 537986917 /nfs/dbraw/zinc/98/69/17/537986917.db2.gz HFHSTAPUJHNWPL-UHFFFAOYSA-N 1 0 233.246 1.750 10 0 BDAERO Cc1cccc([C@@H]([C@H](C)[NH3+])N(CCO)C2CC2)c1 ZINC000042967509 179188104 /nfs/dbraw/zinc/18/81/04/179188104.db2.gz KMMNIXKRVIBONT-SWLSCSKDSA-N 1 0 248.370 1.840 10 0 BDAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]1CO ZINC000382340751 347284537 /nfs/dbraw/zinc/28/45/37/347284537.db2.gz ZOYPBGGHNCBIHH-FPMFFAJLSA-N 1 0 219.328 1.978 10 0 BDAERO Cc1cccc([C@H]2OCCc3cccc[n+]32)n1 ZINC000053626662 179204685 /nfs/dbraw/zinc/20/46/85/179204685.db2.gz CCTGZWQVZAHXQE-CQSZACIVSA-N 1 0 226.279 1.807 10 0 BDAERO CO[C@@H]([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000388285197 347290498 /nfs/dbraw/zinc/29/04/98/347290498.db2.gz PXXHWOXWKKKWQS-USWWRNFRSA-N 1 0 229.364 1.797 10 0 BDAERO Cc1cccc([C@](O)(C[NH3+])C(F)(F)F)c1 ZINC000062784496 179205036 /nfs/dbraw/zinc/20/50/36/179205036.db2.gz BGCRWOGKQSKVPS-SECBINFHSA-N 1 0 219.206 1.704 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@H]1CCSC1 ZINC000250393075 362802967 /nfs/dbraw/zinc/80/29/67/362802967.db2.gz LDADNQFNSYXPII-DCAQKATOSA-N 1 0 215.362 1.585 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000250401030 362803742 /nfs/dbraw/zinc/80/37/42/362803742.db2.gz MGAFKTCVJHEVQJ-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO COC[C@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)C1 ZINC000250480574 362806318 /nfs/dbraw/zinc/80/63/18/362806318.db2.gz WBSLGHGSJJXIAN-QWRGUYRKSA-N 1 0 211.305 1.466 10 0 BDAERO Cc1cccc([C@H]([NH3+])c2cnn(C)c2)c1 ZINC000026516999 179200976 /nfs/dbraw/zinc/20/09/76/179200976.db2.gz CHPYGEHXBFXZHB-LBPRGKRZSA-N 1 0 201.273 1.777 10 0 BDAERO c1nc2c([nH]1)[C@]1(C[C@H]3CCC[C@@H]31)[NH2+]CC2 ZINC000725242905 537988324 /nfs/dbraw/zinc/98/83/24/537988324.db2.gz VWRAIKALEBQLGH-VDDIYKPWSA-N 1 0 203.289 1.571 10 0 BDAERO Oc1cc(C2CC2)cc2nc([C@H]3CCC[NH2+]3)nn21 ZINC000725242961 537988933 /nfs/dbraw/zinc/98/89/33/537988933.db2.gz CMFFYMVLFFDPRZ-SNVBAGLBSA-N 1 0 244.298 1.737 10 0 BDAERO Cc1cccc2c(NCCO)cc[nH+]c12 ZINC000301703782 179212186 /nfs/dbraw/zinc/21/21/86/179212186.db2.gz AQAYZRLSGCEHLI-UHFFFAOYSA-N 1 0 202.257 1.947 10 0 BDAERO CC1CC(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000581483432 347311496 /nfs/dbraw/zinc/31/14/96/347311496.db2.gz LUZZEYHIKKMGOF-ZBJRIAIXSA-N 1 0 222.332 1.228 10 0 BDAERO CC(C)CC(=O)N1CC([NH2+]C2CCC2)C1 ZINC000675055338 537989420 /nfs/dbraw/zinc/98/94/20/537989420.db2.gz QHTNEEOPHUCMAA-UHFFFAOYSA-N 1 0 210.321 1.385 10 0 BDAERO O=C1Nc2ccccc2C[C@H]1C1CC[NH2+]CC1 ZINC000118313708 347364882 /nfs/dbraw/zinc/36/48/82/347364882.db2.gz AUQPCILBQAUQBW-LBPRGKRZSA-N 1 0 230.311 1.797 10 0 BDAERO c1cc2c(s1)[C@]1(C[C@H]3COC[C@@H]31)[NH2+]CC2 ZINC000725242882 537989449 /nfs/dbraw/zinc/98/94/49/537989449.db2.gz NNYUKOBJOHQGKH-JBLDHEPKSA-N 1 0 221.325 1.755 10 0 BDAERO O=C1CCC[C@H]([N@H+]2CCCC[C@H]2CO)C1 ZINC000250815870 362823159 /nfs/dbraw/zinc/82/31/59/362823159.db2.gz FFEYHURWNRXAAR-QWRGUYRKSA-N 1 0 211.305 1.345 10 0 BDAERO Cc1cc2nc([C@@H]3CCC[NH2+]3)nn2c(O)c1 ZINC000725243037 537989609 /nfs/dbraw/zinc/98/96/09/537989609.db2.gz GTNYYIFGAXBEIP-QMMMGPOBSA-N 1 0 218.260 1.168 10 0 BDAERO [NH3+][C@@]1(c2noc(C3CC3)n2)CCSC1 ZINC000036764234 347455039 /nfs/dbraw/zinc/45/50/39/347455039.db2.gz WEUBUNGFENJMPO-VIFPVBQESA-N 1 0 211.290 1.238 10 0 BDAERO [NH3+][C@]1(c2noc(C3CC3)n2)CCSC1 ZINC000036764235 347455153 /nfs/dbraw/zinc/45/51/53/347455153.db2.gz WEUBUNGFENJMPO-SECBINFHSA-N 1 0 211.290 1.238 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)C(C)(C)O ZINC000251084935 362837158 /nfs/dbraw/zinc/83/71/58/362837158.db2.gz XGLGDWLWGUOHEZ-LPEHRKFASA-N 1 0 201.310 1.039 10 0 BDAERO c1cc2c(o1)[C@]1(C[C@@H]3COC[C@@H]31)[NH2+]CC2 ZINC000725242911 537989902 /nfs/dbraw/zinc/98/99/02/537989902.db2.gz WVRSOCCSOGJEDQ-JFGNBEQYSA-N 1 0 205.257 1.287 10 0 BDAERO CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH2+]C ZINC000054073738 347434011 /nfs/dbraw/zinc/43/40/11/347434011.db2.gz MYQNNLKPGQSOJX-GMTAPVOTSA-N 1 0 212.337 1.679 10 0 BDAERO Cc1ccccc1-c1nc(C[C@@H](C)[NH3+])no1 ZINC000054161361 179238369 /nfs/dbraw/zinc/23/83/69/179238369.db2.gz PBMXLPWQEHQXEM-SECBINFHSA-N 1 0 217.272 1.935 10 0 BDAERO CC[S@](=N)(=O)C1CC[NH+](C(C)C)CC1 ZINC000616568222 347444806 /nfs/dbraw/zinc/44/48/06/347444806.db2.gz GTFACIPTVDQLBE-AWEZNQCLSA-N 1 0 218.366 1.926 10 0 BDAERO CSCC[NH+]1CCC(n2cncn2)CC1 ZINC000195436969 347449320 /nfs/dbraw/zinc/44/93/20/347449320.db2.gz XEBOFLBBTRQXJE-UHFFFAOYSA-N 1 0 226.349 1.278 10 0 BDAERO Cc1ccccc1-n1nnnc1C[NH2+]C(C)(C)C ZINC000054744640 179243523 /nfs/dbraw/zinc/24/35/23/179243523.db2.gz RZSQMVVGEANTNX-UHFFFAOYSA-N 1 0 245.330 1.859 10 0 BDAERO Cc1ccccc1C(=O)N(C)C[C@@H](C)C[NH3+] ZINC000042454938 179245805 /nfs/dbraw/zinc/24/58/05/179245805.db2.gz NQERHZUTGUCWIP-JTQLQIEISA-N 1 0 220.316 1.662 10 0 BDAERO CCC(=O)N[C@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616568903 347473781 /nfs/dbraw/zinc/47/37/81/347473781.db2.gz DZJBCOQXONQGFA-QWRGUYRKSA-N 1 0 212.337 1.537 10 0 BDAERO Cc1ccccc1CC1(O)CC[NH2+]CC1 ZINC000041213800 179260389 /nfs/dbraw/zinc/26/03/89/179260389.db2.gz UCKLTPZLSWLRRR-UHFFFAOYSA-N 1 0 205.301 1.652 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1cccc(OC)c1OC ZINC000036779401 347578254 /nfs/dbraw/zinc/57/82/54/347578254.db2.gz UOZOTRXQQHBYMP-MWLCHTKSSA-N 1 0 225.288 1.475 10 0 BDAERO [NH3+]C[C@@H](N1CCCC1=O)C(F)(F)C(F)(F)F ZINC000616569184 347591616 /nfs/dbraw/zinc/59/16/16/347591616.db2.gz ISIGYHHFTZRVKI-RXMQYKEDSA-N 1 0 246.179 1.134 10 0 BDAERO CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000390660299 259396843 /nfs/dbraw/zinc/39/68/43/259396843.db2.gz RZPDKTDOVCLQDD-UWVGGRQHSA-N 1 0 226.320 1.653 10 0 BDAERO Cc1ccccc1CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000094183654 179265858 /nfs/dbraw/zinc/26/58/58/179265858.db2.gz GAMQLQXVHVQLPH-ZIAGYGMSSA-N 1 0 246.354 1.781 10 0 BDAERO Cc1ccccc1CN1CCC[NH2+][C@@H](C)C1=O ZINC000063215098 179275264 /nfs/dbraw/zinc/27/52/64/179275264.db2.gz YSPJKFNBHXSHEK-LBPRGKRZSA-N 1 0 232.327 1.705 10 0 BDAERO CC(C)[N@H+](C[C@@H](C)O)C[C@H]1CCCN1C ZINC000591918095 347708970 /nfs/dbraw/zinc/70/89/70/347708970.db2.gz ZQVSDLKLPNEWIP-VXGBXAGGSA-N 1 0 214.353 1.172 10 0 BDAERO Cc1ccccc1CNC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000048265957 179279588 /nfs/dbraw/zinc/27/95/88/179279588.db2.gz NIVBYKWIVCODQO-OCCSQVGLSA-N 1 0 246.354 1.999 10 0 BDAERO c1ccc2c(c1)onc2N1CCC[NH2+]CC1 ZINC000196067437 347775736 /nfs/dbraw/zinc/77/57/36/347775736.db2.gz JNKKGOCMKAIWIN-UHFFFAOYSA-N 1 0 217.272 1.628 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCS1 ZINC000308527988 347801572 /nfs/dbraw/zinc/80/15/72/347801572.db2.gz JKQIRMPLTXSNFG-NXEZZACHSA-N 1 0 217.378 1.879 10 0 BDAERO O=C(CC1CC1)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616569697 347805532 /nfs/dbraw/zinc/80/55/32/347805532.db2.gz BXPCLZSKTQOFQS-QWRGUYRKSA-N 1 0 208.305 1.139 10 0 BDAERO CCn1ccnc1-c1sc(C[NH3+])nc1C ZINC000669381037 537992773 /nfs/dbraw/zinc/99/27/73/537992773.db2.gz WJGSWNMWKJSWAV-UHFFFAOYSA-N 1 0 222.317 1.794 10 0 BDAERO Cc1ccccc1C[C@@H](O)C[NH2+]C1CC1 ZINC000071509541 179289838 /nfs/dbraw/zinc/28/98/38/179289838.db2.gz JRNLTDPQLFKKJL-CYBMUJFWSA-N 1 0 205.301 1.650 10 0 BDAERO Cc1ccccc1C[C@@H]1COCC[C@H]1[NH3+] ZINC000082379476 179289972 /nfs/dbraw/zinc/28/99/72/179289972.db2.gz PWIJBOWJQASTBJ-CHWSQXEVSA-N 1 0 205.301 1.901 10 0 BDAERO Cc1ccccc1C[C@@]1(O)CCC[NH2+]C1 ZINC000071509470 179290028 /nfs/dbraw/zinc/29/00/28/179290028.db2.gz PSGQYEMMGOGMBC-ZDUSSCGKSA-N 1 0 205.301 1.652 10 0 BDAERO Cc1ccccc1C[C@H]([NH3+])[C@H]1CCOC1 ZINC000048627594 179291880 /nfs/dbraw/zinc/29/18/80/179291880.db2.gz YVGSBRMASIAFBA-STQMWFEESA-N 1 0 205.301 1.901 10 0 BDAERO Cc1ccccc1Cc1ncc(C[NH3+])cn1 ZINC000054855397 179293304 /nfs/dbraw/zinc/29/33/04/179293304.db2.gz ODTIGUVNXQJXIG-UHFFFAOYSA-N 1 0 213.284 1.835 10 0 BDAERO Cc1ccccc1Cc1nnc(CCC[NH3+])o1 ZINC000019733070 179293319 /nfs/dbraw/zinc/29/33/19/179293319.db2.gz OFKJPVJMYWEJHI-UHFFFAOYSA-N 1 0 231.299 1.860 10 0 BDAERO Cc1ccccc1NC1(CO)CC[NH2+]CC1 ZINC000040695498 179305028 /nfs/dbraw/zinc/30/50/28/179305028.db2.gz APRGGYXAZXKPPG-UHFFFAOYSA-N 1 0 220.316 1.521 10 0 BDAERO Cc1ccccc1NC(=[NH2+])N1CCOCC1 ZINC000034542242 179297441 /nfs/dbraw/zinc/29/74/41/179297441.db2.gz WBQUTNXMTAZGTJ-UHFFFAOYSA-N 1 0 219.288 1.674 10 0 BDAERO Cc1ccccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000149634915 179299215 /nfs/dbraw/zinc/29/92/15/179299215.db2.gz GGZXXHBOTWCKBE-DGCLKSJQSA-N 1 0 248.326 1.701 10 0 BDAERO Cc1ccccc1OCC[C@@](C)(O)C[NH3+] ZINC000019668168 179311884 /nfs/dbraw/zinc/31/18/84/179311884.db2.gz SMMZPUSXYTYXKH-GFCCVEGCSA-N 1 0 209.289 1.474 10 0 BDAERO N[C@@H]1C[NH2+]CC[C@H]1c1ccc2c(c1)CCN2 ZINC000669381418 537994706 /nfs/dbraw/zinc/99/47/06/537994706.db2.gz JEVUKQHMHZRDPJ-NWDGAFQWSA-N 1 0 217.316 1.059 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])Cc1ncc[nH]1 ZINC000036946856 179324709 /nfs/dbraw/zinc/32/47/09/179324709.db2.gz XYKDDSFKKRQPNH-NSHDSACASA-N 1 0 201.273 1.961 10 0 BDAERO Cc1ccccc1[C@@](C)(CO)[NH2+]C1CC1 ZINC000038124108 179331588 /nfs/dbraw/zinc/33/15/88/179331588.db2.gz UQTUUQZOXDRSLB-CYBMUJFWSA-N 1 0 205.301 1.955 10 0 BDAERO c1cn(CC[NH2+]CC2CC2)nc1C1CC1 ZINC000725244161 537996187 /nfs/dbraw/zinc/99/61/87/537996187.db2.gz PEWFLKQSYVHYGA-UHFFFAOYSA-N 1 0 205.305 1.760 10 0 BDAERO CC(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616570630 348079204 /nfs/dbraw/zinc/07/92/04/348079204.db2.gz HCRRDWREFLHAPT-HTQZYQBOSA-N 1 0 238.253 1.299 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCC1 ZINC000616570528 348067651 /nfs/dbraw/zinc/06/76/51/348067651.db2.gz NAMQKDFOBJJSTE-ONGXEEELSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@H]1CN(c2cccc3c2OCCO3)C[C@H](C)[NH2+]1 ZINC000196993501 348076356 /nfs/dbraw/zinc/07/63/56/348076356.db2.gz SWDHAFVKSKKELV-QWRGUYRKSA-N 1 0 248.326 1.644 10 0 BDAERO C/C=C/C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000616570336 348033656 /nfs/dbraw/zinc/03/36/56/348033656.db2.gz FSJLHSDPOYKFDO-PWFBRDGFSA-N 1 0 236.359 1.991 10 0 BDAERO Cc1ccccc1[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019785033 179345508 /nfs/dbraw/zinc/34/55/08/179345508.db2.gz QROSEGWDYRPUCO-CQSZACIVSA-N 1 0 234.343 1.276 10 0 BDAERO C[C@@H](O)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308566694 323175855 /nfs/dbraw/zinc/17/58/55/323175855.db2.gz YRHVKKQZGVWMPG-NXEZZACHSA-N 1 0 203.326 1.144 10 0 BDAERO Cc1ccccc1[C@](O)(C[NH3+])C(F)(F)F ZINC000062784342 179350554 /nfs/dbraw/zinc/35/05/54/179350554.db2.gz OPKWSNBKCXYVDK-SECBINFHSA-N 1 0 219.206 1.704 10 0 BDAERO Cc1ccccc1[C@H]1NC(=O)CC[C@@H]1[NH3+] ZINC000057492416 179350802 /nfs/dbraw/zinc/35/08/02/179350802.db2.gz YLFMEIOGDGFVIH-CMPLNLGQSA-N 1 0 204.273 1.273 10 0 BDAERO Cc1cccn(CC[C@H]2CCCC[NH2+]2)c1=O ZINC000041630931 179352373 /nfs/dbraw/zinc/35/23/73/179352373.db2.gz OBPRGZDCKRHXEY-GFCCVEGCSA-N 1 0 220.316 1.689 10 0 BDAERO CCC(CC)[NH2+]C[C@]1(O)CCNCC1(F)F ZINC000669382442 537998430 /nfs/dbraw/zinc/99/84/30/537998430.db2.gz LHIKJHGGSUREJF-SNVBAGLBSA-N 1 0 236.306 1.124 10 0 BDAERO COC(=O)[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000595305663 348222206 /nfs/dbraw/zinc/22/22/06/348222206.db2.gz IIGZYTPPOZPWNM-GFCCVEGCSA-N 1 0 223.316 1.838 10 0 BDAERO C=CC(=O)N1CC[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000616571196 348188938 /nfs/dbraw/zinc/18/89/38/348188938.db2.gz PQZIFXTVMCJDEP-QWHCGFSZSA-N 1 0 248.301 1.655 10 0 BDAERO Cc1cccnc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282201215 179385088 /nfs/dbraw/zinc/38/50/88/179385088.db2.gz CPKZFLZAIRYCFN-QWRGUYRKSA-N 1 0 233.315 1.147 10 0 BDAERO CN(C)c1ccc(C(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000336233505 187393132 /nfs/dbraw/zinc/39/31/32/187393132.db2.gz VXDAJAFZHMCZBN-UHFFFAOYSA-N 1 0 247.342 1.314 10 0 BDAERO C[NH+](C)CCOc1c(F)cccc1C=O ZINC000040541774 187393185 /nfs/dbraw/zinc/39/31/85/187393185.db2.gz FSNFMZGNQYGOOF-UHFFFAOYSA-N 1 0 211.236 1.579 10 0 BDAERO Cc1ccn(-c2c(F)cc(CC[NH3+])cc2F)n1 ZINC000104282330 179399616 /nfs/dbraw/zinc/39/96/16/179399616.db2.gz JEAOQLCMFSHFAB-UHFFFAOYSA-N 1 0 237.253 1.960 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1[S@](=O)CC1CCCC1 ZINC000251586750 362888287 /nfs/dbraw/zinc/88/82/87/362888287.db2.gz ZAKNOMDMBHMYGG-UHIISALHSA-N 1 0 215.362 1.805 10 0 BDAERO C[C@H]1CC[C@H]([C@@H]2[NH2+][C@H](C)CCS2)O1 ZINC000251761549 362908886 /nfs/dbraw/zinc/90/88/86/362908886.db2.gz UEOBAWXJTWGIMP-UTINFBMNSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@@H]1CC[S@](=O)[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000251764622 362909148 /nfs/dbraw/zinc/90/91/48/362909148.db2.gz UMLQFHBTSAQLHQ-QYTUQVAYSA-N 1 0 201.335 1.428 10 0 BDAERO CC(C)C[C@H]([NH3+])CN1CCn2ccnc2C1 ZINC000062321506 187396645 /nfs/dbraw/zinc/39/66/45/187396645.db2.gz SBRCOTHTCZQXRM-NSHDSACASA-N 1 0 222.336 1.072 10 0 BDAERO CCSC1(CNC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000595943701 348410649 /nfs/dbraw/zinc/41/06/49/348410649.db2.gz JFOWCEXMAAQXCP-SNVBAGLBSA-N 1 0 244.404 1.762 10 0 BDAERO CCOC(=O)c1cccnc1N[C@H](C)C[NH2+]C ZINC000596030722 348425917 /nfs/dbraw/zinc/42/59/17/348425917.db2.gz MNEBROKUJVSOKO-SECBINFHSA-N 1 0 237.303 1.278 10 0 BDAERO Cc1ccnc(N[C@H]2CC[C@H]([NH+](C)C)C2)n1 ZINC000301934585 179462236 /nfs/dbraw/zinc/46/22/36/179462236.db2.gz QVVLRWOQWZLNGC-QWRGUYRKSA-N 1 0 220.320 1.680 10 0 BDAERO CCOC(=O)[C@@H]1O[C@@]12CCC[C@@H]([NH+](C)C)C2 ZINC000669383169 538007697 /nfs/dbraw/zinc/00/76/97/538007697.db2.gz NTVBTCXQKJBXGG-JFGNBEQYSA-N 1 0 227.304 1.191 10 0 BDAERO COC(=O)[C@@H]1OC12CCC(C)([NH+](C)C)CC2 ZINC000669383516 538007737 /nfs/dbraw/zinc/00/77/37/538007737.db2.gz SFUUPYYUNIQQNL-GCVQQVDUSA-N 1 0 227.304 1.191 10 0 BDAERO [NH3+][C@H]1C[C@]12CNc1cc3c(cc12)OCCCO3 ZINC000725246965 538007940 /nfs/dbraw/zinc/00/79/40/538007940.db2.gz BSGVDPATPLJDBH-QWHCGFSZSA-N 1 0 232.283 1.242 10 0 BDAERO [NH3+][C@@H]1C[C@@]12CNc1c2c(Cl)ccc1F ZINC000725246932 538008996 /nfs/dbraw/zinc/00/89/96/538008996.db2.gz BHDRKHKJCDAVLQ-GMSGAONNSA-N 1 0 212.655 1.873 10 0 BDAERO CC(C)OC1CC[NH+](CC(C)(C)O)CC1 ZINC000531402587 348626518 /nfs/dbraw/zinc/62/65/18/348626518.db2.gz QMBSWVMYJDQJFD-UHFFFAOYSA-N 1 0 215.337 1.647 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnc2ccnn2c1 ZINC000308819516 348711235 /nfs/dbraw/zinc/71/12/35/348711235.db2.gz BNPWQPGEZBDVIY-SCZZXKLOSA-N 1 0 202.261 1.227 10 0 BDAERO CCCN1C[C@@]2(C[C@H]2[NH3+])c2ccccc21 ZINC000725247049 538011050 /nfs/dbraw/zinc/01/10/50/538011050.db2.gz FXUCPFKIKXYYJL-OLZOCXBDSA-N 1 0 202.301 1.885 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000308839383 348772159 /nfs/dbraw/zinc/77/21/59/348772159.db2.gz XYWVOVKKFPPWCO-OUAUKWLOSA-N 1 0 215.337 1.144 10 0 BDAERO [NH3+][C@H]1C[C@]12CNc1c2cc(Cl)cc1F ZINC000725247036 538011154 /nfs/dbraw/zinc/01/11/54/538011154.db2.gz FQBMBWFNRGVUKX-WCBMZHEXSA-N 1 0 212.655 1.873 10 0 BDAERO COc1ccc2c(c1OC)[C@@]1(C[C@@H]1[NH3+])CN2 ZINC000725247089 538010872 /nfs/dbraw/zinc/01/08/72/538010872.db2.gz GVXDJLNWHRCJIC-CABZTGNLSA-N 1 0 220.272 1.098 10 0 BDAERO CC[C@@H]1CN(c2nccs2)CC[C@H]1[NH3+] ZINC000251830375 362930767 /nfs/dbraw/zinc/93/07/67/362930767.db2.gz PXVFGFHOKJYXHT-RKDXNWHRSA-N 1 0 211.334 1.707 10 0 BDAERO [NH3+][C@H]1C[C@]12CNc1cc(F)c(Cl)cc12 ZINC000725247613 538013581 /nfs/dbraw/zinc/01/35/81/538013581.db2.gz SAJACYZOZTUHLG-VHSXEESVSA-N 1 0 212.655 1.873 10 0 BDAERO CCCN1C[C@]2(C[C@@H]2[NH3+])c2ccccc21 ZINC000725247050 538012291 /nfs/dbraw/zinc/01/22/91/538012291.db2.gz FXUCPFKIKXYYJL-QWHCGFSZSA-N 1 0 202.301 1.885 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000054074996 348877066 /nfs/dbraw/zinc/87/70/66/348877066.db2.gz YAWVOKXMRANXBP-AXFHLTTASA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000054074995 348877179 /nfs/dbraw/zinc/87/71/79/348877179.db2.gz YAWVOKXMRANXBP-MXWKQRLJSA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000054076946 348880268 /nfs/dbraw/zinc/88/02/68/348880268.db2.gz NTPAZTNGXWOOHE-ZWNOBZJWSA-N 1 0 232.327 1.268 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(N(C)C)cc1C ZINC000054073099 348888736 /nfs/dbraw/zinc/88/87/36/348888736.db2.gz RBAUQJYZUBNOEU-SNVBAGLBSA-N 1 0 235.331 1.607 10 0 BDAERO CCOc1cc(C)ccc1NC(=O)[C@@H](C)[NH2+]C ZINC000054074601 348890005 /nfs/dbraw/zinc/89/00/05/348890005.db2.gz YHFNVBRAZLBOGZ-SNVBAGLBSA-N 1 0 236.315 1.940 10 0 BDAERO CC(C)SCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399262922 323201931 /nfs/dbraw/zinc/20/19/31/323201931.db2.gz PUXWBYCOPYHTAA-GHMZBOCLSA-N 1 0 217.378 1.973 10 0 BDAERO COc1ccccc1NC(=O)CSCC[NH3+] ZINC000019435658 187417155 /nfs/dbraw/zinc/41/71/55/187417155.db2.gz JUDVNUKYDLWLFV-UHFFFAOYSA-N 1 0 240.328 1.326 10 0 BDAERO COc1ccc(Cl)cc1NCC[NH3+] ZINC000019732730 187417461 /nfs/dbraw/zinc/41/74/61/187417461.db2.gz UQCVRTPGECCQPR-UHFFFAOYSA-N 1 0 200.669 1.719 10 0 BDAERO Clc1cccnc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209512768 349052999 /nfs/dbraw/zinc/05/29/99/349052999.db2.gz ICVPXHFXLIIZLR-SCZZXKLOSA-N 1 0 223.707 1.533 10 0 BDAERO CC(C)C[C@H](C[NH3+])Nc1ncnc2[nH]ccc21 ZINC000420178262 192169991 /nfs/dbraw/zinc/16/99/91/192169991.db2.gz AQTFMHNMEUXFQA-SECBINFHSA-N 1 0 233.319 1.743 10 0 BDAERO C/C=C(\C)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC000616573380 349069678 /nfs/dbraw/zinc/06/96/78/349069678.db2.gz XXRKGSPYVXQXPS-XCVCLJGOSA-N 1 0 208.305 1.165 10 0 BDAERO COC(=O)[C@@]1(c2ccc(F)cc2F)CC[NH2+]C1 ZINC000616573622 349072513 /nfs/dbraw/zinc/07/25/13/349072513.db2.gz IFTMJOYISUBAKF-LBPRGKRZSA-N 1 0 241.237 1.369 10 0 BDAERO Cc1ncc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000397909817 362937986 /nfs/dbraw/zinc/93/79/86/362937986.db2.gz CLOHVWGDCDAQKE-ZYHUDNBSSA-N 1 0 235.331 1.652 10 0 BDAERO [NH3+][C@]12CC[C@H]1CN(C(=O)C1CCCCC1)C2 ZINC000616572829 349063375 /nfs/dbraw/zinc/06/33/75/349063375.db2.gz PIUJVQVTPWXZPS-AAEUAGOBSA-N 1 0 222.332 1.516 10 0 BDAERO [NH3+][C@@]12CC[C@@H]1CN(C(=O)C1CCCCC1)C2 ZINC000616572831 349063877 /nfs/dbraw/zinc/06/38/77/349063877.db2.gz PIUJVQVTPWXZPS-DGCLKSJQSA-N 1 0 222.332 1.516 10 0 BDAERO CC(C)C[C@@H]1CCN(C(=O)C2CC2)C[C@H]1[NH3+] ZINC000616572464 349065854 /nfs/dbraw/zinc/06/58/54/349065854.db2.gz WAKMITHLZPYJGH-NWDGAFQWSA-N 1 0 224.348 1.618 10 0 BDAERO CO[C@@]1(COc2cccc(C)c2)CC[NH2+]C1 ZINC000616578209 349123535 /nfs/dbraw/zinc/12/35/35/349123535.db2.gz KFBAIFNMVKONNN-ZDUSSCGKSA-N 1 0 221.300 1.752 10 0 BDAERO Nc1cccc(-c2cnc(C[NH3+])s2)c1 ZINC000616578563 349124959 /nfs/dbraw/zinc/12/49/59/349124959.db2.gz OTSSTILRYCTJNH-UHFFFAOYSA-N 1 0 205.286 1.851 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cn[nH]c1 ZINC000308926185 349130093 /nfs/dbraw/zinc/13/00/93/349130093.db2.gz KPCIKJHMXHHDSH-GHMZBOCLSA-N 1 0 209.293 1.050 10 0 BDAERO Cc1csc(=O)n1C[C@@H]1CCCC[NH2+]1 ZINC000043494311 179763256 /nfs/dbraw/zinc/76/32/56/179763256.db2.gz DKMNOUZPIQQVMU-VIFPVBQESA-N 1 0 212.318 1.360 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000251633082 349189644 /nfs/dbraw/zinc/18/96/44/349189644.db2.gz INAFGPHPKWFWRM-IJLUTSLNSA-N 1 0 240.347 1.012 10 0 BDAERO COc1ccc([C@]2(O)CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000616579488 349164076 /nfs/dbraw/zinc/16/40/76/349164076.db2.gz REKLTKSSIUJAQZ-BYCMXARLSA-N 1 0 247.338 1.902 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CCCC[C@H]1CN ZINC000253112285 349224319 /nfs/dbraw/zinc/22/43/19/349224319.db2.gz GXYJOVUNEITHRF-QWRGUYRKSA-N 1 0 200.326 1.082 10 0 BDAERO CN1CCC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000251129553 538036535 /nfs/dbraw/zinc/03/65/35/538036535.db2.gz GPLDXEWTCNLGQJ-LOWDOPEQSA-N 1 0 238.375 1.484 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)O1 ZINC000300786181 349322234 /nfs/dbraw/zinc/32/22/34/349322234.db2.gz ARVMPZQIPIKRGQ-BBBLOLIVSA-N 1 0 228.336 1.044 10 0 BDAERO CC(C)n1cncc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000324279903 323226589 /nfs/dbraw/zinc/22/65/89/323226589.db2.gz OGOBLFNSOIZPKK-LBPRGKRZSA-N 1 0 239.363 1.961 10 0 BDAERO CO[C@@H]1c2ccccc2CCN1CC[NH3+] ZINC000616585312 349371590 /nfs/dbraw/zinc/37/15/90/349371590.db2.gz NYBPSYQQOYRQOS-GFCCVEGCSA-N 1 0 206.289 1.148 10 0 BDAERO Cc1nc(C)n(-c2ccc(C[NH3+])c(C)c2)n1 ZINC000050585267 179921173 /nfs/dbraw/zinc/92/11/73/179921173.db2.gz HJXVFISVRUDJMB-UHFFFAOYSA-N 1 0 216.288 1.651 10 0 BDAERO Cc1nc(C)n(-c2ccc(C[NH3+])c(Cl)c2)n1 ZINC000061846509 179921294 /nfs/dbraw/zinc/92/12/94/179921294.db2.gz YCGIFLYFXIUAST-UHFFFAOYSA-N 1 0 236.706 1.996 10 0 BDAERO Cc1nc(C)n([C@@H](c2ccsc2)[C@@H](C)[NH3+])n1 ZINC000043124256 179923258 /nfs/dbraw/zinc/92/32/58/179923258.db2.gz XZWMQSNKCKZWTG-RDDDGLTNSA-N 1 0 236.344 1.893 10 0 BDAERO Cc1nc(C)n([C@H](c2ccc(F)cc2)[C@H](C)[NH3+])n1 ZINC000042916000 179924635 /nfs/dbraw/zinc/92/46/35/179924635.db2.gz VVXMYVXTECDQLZ-SDBXPKJASA-N 1 0 248.305 1.971 10 0 BDAERO CC(=O)Nc1ccccc1SCC[NH3+] ZINC000058825665 191000380 /nfs/dbraw/zinc/00/03/80/191000380.db2.gz SAZLWMBWEXUDLY-UHFFFAOYSA-N 1 0 210.302 1.696 10 0 BDAERO Cc1cc(C(=O)Nc2ccc(C[NH3+])cc2)no1 ZINC000131511899 191014666 /nfs/dbraw/zinc/01/46/66/191014666.db2.gz BEXZYXPIYZUOKI-UHFFFAOYSA-N 1 0 231.255 1.694 10 0 BDAERO Cc1nc(COC2CCC([NH3+])CC2)no1 ZINC000055142808 179979675 /nfs/dbraw/zinc/97/96/75/179979675.db2.gz VECIIWIRAUQHIZ-UHFFFAOYSA-N 1 0 211.265 1.165 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])CNC(=O)NC(C)C ZINC000725254852 538048610 /nfs/dbraw/zinc/04/86/10/538048610.db2.gz GZEMGRXXGUZMJW-BDAKNGLRSA-N 1 0 201.314 1.067 10 0 BDAERO Cc1nc(N(C)C)nc(C)c1CC[NH2+]C1CC1 ZINC000054853889 179995791 /nfs/dbraw/zinc/99/57/91/179995791.db2.gz YKHNXQJDXCYWMC-UHFFFAOYSA-N 1 0 234.347 1.454 10 0 BDAERO Cc1nc(N(C)C)nc(C)c1C[NH2+]CC(C)C ZINC000054854533 179996695 /nfs/dbraw/zinc/99/66/95/179996695.db2.gz XLKXPSMZYOZGFB-UHFFFAOYSA-N 1 0 236.363 1.905 10 0 BDAERO CC(C)([NH3+])Cn1cc(Br)ccc1=O ZINC000057796627 187438561 /nfs/dbraw/zinc/43/85/61/187438561.db2.gz BMBCKELGFCIVJM-UHFFFAOYSA-N 1 0 245.120 1.348 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCc1ccccc1 ZINC000051791212 350116365 /nfs/dbraw/zinc/11/63/65/350116365.db2.gz JYERGSIPLQNFMS-YPMHNXCESA-N 1 0 232.327 1.691 10 0 BDAERO Cc1nc2c(Cl)cc(F)cn2c1C[NH3+] ZINC000082694047 180064368 /nfs/dbraw/zinc/06/43/68/180064368.db2.gz RVIQFDGPVPXRLW-UHFFFAOYSA-N 1 0 213.643 1.894 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]C2CSC2)C1 ZINC000307319027 490343956 /nfs/dbraw/zinc/34/39/56/490343956.db2.gz MYBYQALXHASISD-PSASIEDQSA-N 1 0 200.351 1.032 10 0 BDAERO Cc1nc2sccn2c1C[C@@H]1CCC[NH2+]1 ZINC000083033936 180118088 /nfs/dbraw/zinc/11/80/88/180118088.db2.gz HEUGOHLXYBRPAK-VIFPVBQESA-N 1 0 221.329 1.999 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)s1 ZINC000282365506 180158702 /nfs/dbraw/zinc/15/87/02/180158702.db2.gz NNCOBXPKERJLMP-XVKPBYJWSA-N 1 0 239.344 1.208 10 0 BDAERO Cc1ncc(C[C@]2(C[NH3+])CCOC2)s1 ZINC000062337635 180162872 /nfs/dbraw/zinc/16/28/72/180162872.db2.gz UMQNWZKHNHVNBM-JTQLQIEISA-N 1 0 212.318 1.359 10 0 BDAERO CCCNC(=[NH2+])N[C@@H]1CCCSC1 ZINC000220786531 350186777 /nfs/dbraw/zinc/18/67/77/350186777.db2.gz OYIPMHGYDLYLMO-MRVPVSSYSA-N 1 0 201.339 1.406 10 0 BDAERO Cc1nccc(NCC2CC[NH2+]CC2)n1 ZINC000054936827 180198643 /nfs/dbraw/zinc/19/86/43/180198643.db2.gz RIZDZEACFOZWMB-UHFFFAOYSA-N 1 0 206.293 1.197 10 0 BDAERO Nc1cccc(CNc2ccnn2C2C[NH2+]C2)c1 ZINC000725258518 538075311 /nfs/dbraw/zinc/07/53/11/538075311.db2.gz RCZXYYJQKAIMFB-UHFFFAOYSA-N 1 0 243.314 1.222 10 0 BDAERO Cc1nccn1CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000336715908 180238893 /nfs/dbraw/zinc/23/88/93/180238893.db2.gz VDPMUGCXLNFIBY-ZDUSSCGKSA-N 1 0 237.347 1.286 10 0 BDAERO Cc1nccn1[C@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043348739 180272514 /nfs/dbraw/zinc/27/25/14/180272514.db2.gz CXZBRRLHPOKYMP-CABZTGNLSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1nccn1CCOc1cccc(F)c1C[NH3+] ZINC000049329245 180263729 /nfs/dbraw/zinc/26/37/29/180263729.db2.gz XMSLCLRBJRIGDM-UHFFFAOYSA-N 1 0 249.289 1.868 10 0 BDAERO Cc1nccn1C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000038827568 180264064 /nfs/dbraw/zinc/26/40/64/180264064.db2.gz OAEFSYKLSSUYJT-LLVKDONJSA-N 1 0 245.282 1.620 10 0 BDAERO CN1C(=[NH2+])NC[C@@H]1c1ncc(Cl)s1 ZINC000223338255 350273328 /nfs/dbraw/zinc/27/33/28/350273328.db2.gz IBARKVZEWYCPPJ-SCSAIBSYSA-N 1 0 216.697 1.098 10 0 BDAERO Cc1nccn1[C@H](C[NH3+])c1cccnc1 ZINC000043348730 180271222 /nfs/dbraw/zinc/27/12/22/180271222.db2.gz HPYKTDIQFDBUBY-LLVKDONJSA-N 1 0 202.261 1.135 10 0 BDAERO CC[C@@H](c1ccc(O)cc1)N1CC[NH2+]CC1 ZINC000038086650 350304504 /nfs/dbraw/zinc/30/45/04/350304504.db2.gz DLLKUFBVEFCCLF-ZDUSSCGKSA-N 1 0 220.316 1.749 10 0 BDAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000309344739 350326974 /nfs/dbraw/zinc/32/69/74/350326974.db2.gz WFAIMIFAPNDYTP-MNOVXSKESA-N 1 0 229.364 1.941 10 0 BDAERO [NH3+][C@@H](CO)c1ccc(Br)cc1F ZINC000038124725 350306959 /nfs/dbraw/zinc/30/69/59/350306959.db2.gz GSJWPPAAQIQVCB-QMMMGPOBSA-N 1 0 234.068 1.580 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CCC[NH2+]C[C@H]1F ZINC000725262170 538088059 /nfs/dbraw/zinc/08/80/59/538088059.db2.gz ZXTBMZBJOXFOMB-RKDXNWHRSA-N 1 0 232.299 1.601 10 0 BDAERO Cc1nccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000095069460 180279456 /nfs/dbraw/zinc/27/94/56/180279456.db2.gz XWVSPZZXTHKUMS-SNVBAGLBSA-N 1 0 207.277 1.163 10 0 BDAERO Cc1nccnc1OCC[C@H]1CCCC[NH2+]1 ZINC000095069466 180280633 /nfs/dbraw/zinc/28/06/33/180280633.db2.gz QONHHOMTEIBSPI-LLVKDONJSA-N 1 0 221.304 1.696 10 0 BDAERO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282110853 180283695 /nfs/dbraw/zinc/28/36/95/180283695.db2.gz ADSMGNIBTQJJOB-INTQDDNPSA-N 1 0 248.330 1.103 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000324291325 350291051 /nfs/dbraw/zinc/29/10/51/350291051.db2.gz ANFLVCDUTBNVJB-WDEREUQCSA-N 1 0 229.364 1.941 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1c1noc(-c2cccnc2)n1 ZINC000076051635 350347016 /nfs/dbraw/zinc/34/70/16/350347016.db2.gz SQLTZSOMADOKHD-ZJUUUORDSA-N 1 0 230.271 1.726 10 0 BDAERO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049435 180306716 /nfs/dbraw/zinc/30/67/16/180306716.db2.gz VTWKZLBWSYMOKE-IUCAKERBSA-N 1 0 239.344 1.451 10 0 BDAERO Cc1ncsc1CC[N@H+]1CCC[C@H](O)[C@H]1C ZINC000296367042 180308263 /nfs/dbraw/zinc/30/82/63/180308263.db2.gz SJLBOFQNFIPRSP-MNOVXSKESA-N 1 0 240.372 1.839 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000042546001 180326511 /nfs/dbraw/zinc/32/65/11/180326511.db2.gz RWRAYECFZWCLKZ-UWVGGRQHSA-N 1 0 225.361 1.806 10 0 BDAERO Cc1nn(-c2ccccn2)c(C)c1CCC[NH3+] ZINC000020397192 180330230 /nfs/dbraw/zinc/33/02/30/180330230.db2.gz HFWMSWZGZRWJCT-UHFFFAOYSA-N 1 0 230.315 1.775 10 0 BDAERO CC[C@]1([NH3+])CCCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000725264249 538091047 /nfs/dbraw/zinc/09/10/47/538091047.db2.gz RRPKJEWHIVOLCS-AAEUAGOBSA-N 1 0 241.379 1.944 10 0 BDAERO CC[C@@H]1CS[C@@]2(C[C@@H](C)N(C)C2)[NH2+]1 ZINC000226163255 350404284 /nfs/dbraw/zinc/40/42/84/350404284.db2.gz WFLLVEJOSSTDOT-OPRDCNLKSA-N 1 0 200.351 1.522 10 0 BDAERO C[C@@H]1C[C@@]2(C[N@@H+]1C)NCC[C@@H](C)S2 ZINC000226163236 350404437 /nfs/dbraw/zinc/40/44/37/350404437.db2.gz JPLHSXSGFLXEGJ-OPRDCNLKSA-N 1 0 200.351 1.522 10 0 BDAERO Cc1cc(O)ccc1NC(=O)C1CC[NH2+]CC1 ZINC000080358997 187446997 /nfs/dbraw/zinc/44/69/97/187446997.db2.gz WGNCKFWALGYYKG-UHFFFAOYSA-N 1 0 234.299 1.639 10 0 BDAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H]1C ZINC000076083773 350436654 /nfs/dbraw/zinc/43/66/54/350436654.db2.gz RSMVMAQHMSKDAA-GARJFASQSA-N 1 0 227.352 1.424 10 0 BDAERO Cc1nn(C)c(N(C)C2CCCC2)c1C[NH3+] ZINC000037093001 180351450 /nfs/dbraw/zinc/35/14/50/180351450.db2.gz BGFVAFLBZOQQKL-UHFFFAOYSA-N 1 0 222.336 1.566 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCO[C@H]1C ZINC000162719864 180352016 /nfs/dbraw/zinc/35/20/16/180352016.db2.gz BMRCTXUDCLTFOY-WPRPVWTQSA-N 1 0 243.738 1.649 10 0 BDAERO C[N@H+]([C@@H]1CCSC1)[C@H]1CCCC[C@@H]1O ZINC000226239023 350411613 /nfs/dbraw/zinc/41/16/13/350411613.db2.gz GDKAYHLSYDIVBA-VWYCJHECSA-N 1 0 215.362 1.727 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000226271232 350412196 /nfs/dbraw/zinc/41/21/96/350412196.db2.gz BTFKGDWAUMMJCC-HBNTYKKESA-N 1 0 215.362 1.775 10 0 BDAERO C[C@H]1CSCCN1[C@H](C[NH3+])C(C)(C)C ZINC000251859559 362956349 /nfs/dbraw/zinc/95/63/49/362956349.db2.gz SHDAUNMXFQXAGO-VHSXEESVSA-N 1 0 216.394 1.797 10 0 BDAERO Cc1csc(CC(=O)[C@]2(C)CC[NH2+]C2)n1 ZINC000226346812 350421880 /nfs/dbraw/zinc/42/18/80/350421880.db2.gz RKWJMFWSXVKDIU-LLVKDONJSA-N 1 0 224.329 1.563 10 0 BDAERO CC[C@@H]1CN(Cc2cccs2)CC[NH2+]1 ZINC000082925172 187449842 /nfs/dbraw/zinc/44/98/42/187449842.db2.gz OBLNOKFBYWDPCL-SNVBAGLBSA-N 1 0 210.346 1.932 10 0 BDAERO [NH3+]C1(C(=O)Cc2cccc(F)c2F)CC1 ZINC000226435618 350431014 /nfs/dbraw/zinc/43/10/14/350431014.db2.gz CJRJQKYFTLBVCC-UHFFFAOYSA-N 1 0 211.211 1.568 10 0 BDAERO Cc1ccc(C(=O)[C@@H]2CC[C@@H](C[NH3+])O2)s1 ZINC000226644811 350444323 /nfs/dbraw/zinc/44/43/23/350444323.db2.gz JOFUVGUNFSHYGC-IUCAKERBSA-N 1 0 225.313 1.746 10 0 BDAERO CC(C)[C@@H](CN)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226667150 350447362 /nfs/dbraw/zinc/44/73/62/350447362.db2.gz FYTFBLGVGSYITD-OUAUKWLOSA-N 1 0 216.394 1.796 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]1C ZINC000069945039 350456148 /nfs/dbraw/zinc/45/61/48/350456148.db2.gz ZZQUECDHZVAETK-WDEREUQCSA-N 1 0 212.337 1.905 10 0 BDAERO O=C([C@H]1CCCC[NH2+]1)N1CCC[C@@H](F)C1 ZINC000409423051 350474772 /nfs/dbraw/zinc/47/47/72/350474772.db2.gz KYZMJCCNCFBDPS-NXEZZACHSA-N 1 0 214.284 1.089 10 0 BDAERO [NH3+]CCC[N@@H+]1CCOC[C@H]2CCCC[C@H]21 ZINC000409427745 350476467 /nfs/dbraw/zinc/47/64/67/350476467.db2.gz FHHZJQYYWHYNNN-VXGBXAGGSA-N 1 0 212.337 1.226 10 0 BDAERO Nc1cccc(-c2cnnn2[C@H]2CC[NH2+]C2)c1 ZINC000725266131 538093848 /nfs/dbraw/zinc/09/38/48/538093848.db2.gz PFZYCENCUMKPQY-NSHDSACASA-N 1 0 229.287 1.062 10 0 BDAERO c1cc(-c2cnn(C[C@H]3CCC[NH2+]3)c2)co1 ZINC000409436808 350479722 /nfs/dbraw/zinc/47/97/22/350479722.db2.gz AUKQWGDHRKBBDU-GFCCVEGCSA-N 1 0 217.272 1.895 10 0 BDAERO CCC[C@@H](C)C(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000725264913 538093106 /nfs/dbraw/zinc/09/31/06/538093106.db2.gz VBBIBJFNJBYWJM-SECBINFHSA-N 1 0 246.301 1.490 10 0 BDAERO CCn1nc(-c2cccnc2)cc1C[NH2+]C ZINC000409443798 350483639 /nfs/dbraw/zinc/48/36/39/350483639.db2.gz UKJNSOCFWZDDOU-UHFFFAOYSA-N 1 0 216.288 1.684 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1c[nH]cn1 ZINC000616593139 350513652 /nfs/dbraw/zinc/51/36/52/350513652.db2.gz KNNNZRPTYNRKPP-AWEZNQCLSA-N 1 0 242.326 1.862 10 0 BDAERO Cc1nn(CCC[NH+]2CCCC2)c(C)c1N ZINC000049332748 180387241 /nfs/dbraw/zinc/38/72/41/180387241.db2.gz VERJISKJZVVVRY-UHFFFAOYSA-N 1 0 222.336 1.568 10 0 BDAERO Cc1nn(C[C@H]2CC[C@H](C[NH3+])O2)c(C)c1Cl ZINC000052573912 180390582 /nfs/dbraw/zinc/39/05/82/180390582.db2.gz PUZXFQGUUTUYDY-NXEZZACHSA-N 1 0 243.738 1.660 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC000247396329 538094408 /nfs/dbraw/zinc/09/44/08/538094408.db2.gz QSWRFICFJWZALW-USZNOCQGSA-N 1 0 224.348 1.487 10 0 BDAERO Cc1nn(C[C@@H](C)C[NH3+])c(C)c1Br ZINC000020313532 180391121 /nfs/dbraw/zinc/39/11/21/180391121.db2.gz CGEFFDZQJVHOSK-LURJTMIESA-N 1 0 246.152 1.857 10 0 BDAERO C[NH2+][C@@H](CO)c1sccc1Br ZINC000228015853 350524117 /nfs/dbraw/zinc/52/41/17/350524117.db2.gz USXIEEVSAJTXSP-LURJTMIESA-N 1 0 236.134 1.763 10 0 BDAERO CC1CCC(C[NH2+]CCOCCO)CC1 ZINC000063145147 350573758 /nfs/dbraw/zinc/57/37/58/350573758.db2.gz JSRKUILTNDBAGG-UHFFFAOYSA-N 1 0 215.337 1.411 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2ccno2)CC1 ZINC000616593478 350583443 /nfs/dbraw/zinc/58/34/43/350583443.db2.gz KDQJSAZMUGBNMQ-SNVBAGLBSA-N 1 0 210.277 1.846 10 0 BDAERO Nc1ccccc1[C@H]1CC[N@H+](CCO)CCO1 ZINC000616593947 350586088 /nfs/dbraw/zinc/58/60/88/350586088.db2.gz BOSQFIWQLNHYGV-CYBMUJFWSA-N 1 0 236.315 1.025 10 0 BDAERO CC(C)(C[NH3+])Nc1ncccc1Br ZINC000063020767 350596857 /nfs/dbraw/zinc/59/68/57/350596857.db2.gz JCWRLSKWXODAAJ-UHFFFAOYSA-N 1 0 244.136 1.993 10 0 BDAERO Cc1cc(N(C)C[C@@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000095071200 187455313 /nfs/dbraw/zinc/45/53/13/187455313.db2.gz XONBBROTNSQCRU-SECBINFHSA-N 1 0 240.738 1.484 10 0 BDAERO Cc1nnc([C@H](C)N2CC[NH2+]CC2)n1C(C)C ZINC000051658889 180444961 /nfs/dbraw/zinc/44/49/61/180444961.db2.gz SVJWDHUYAKQESH-JTQLQIEISA-N 1 0 237.351 1.134 10 0 BDAERO CC[C@@H](C)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000151310527 191113921 /nfs/dbraw/zinc/11/39/21/191113921.db2.gz FJTSZYNZXUKCES-VXGBXAGGSA-N 1 0 214.353 1.221 10 0 BDAERO Cc1nnc2n1C[C@@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000361130472 180450028 /nfs/dbraw/zinc/45/00/28/180450028.db2.gz YXHGZQRDGSEBLP-KOLCDFICSA-N 1 0 222.336 1.535 10 0 BDAERO Cc1nnc2sc(C3CCC([NH3+])CC3)nn12 ZINC000082548924 180450708 /nfs/dbraw/zinc/45/07/08/180450708.db2.gz KUEIUHHILQIYJM-UHFFFAOYSA-N 1 0 237.332 1.479 10 0 BDAERO CC[C@H](C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000151310469 191114097 /nfs/dbraw/zinc/11/40/97/191114097.db2.gz FJTSZYNZXUKCES-RYUDHWBXSA-N 1 0 214.353 1.221 10 0 BDAERO Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038048620 180463847 /nfs/dbraw/zinc/46/38/47/180463847.db2.gz PMZCRYHAVPJVNR-VHSXEESVSA-N 1 0 237.303 1.291 10 0 BDAERO C/C(=C\Cl)CN1CC[NH2+]C(C)(C)C1 ZINC000232012324 350650749 /nfs/dbraw/zinc/65/07/49/350650749.db2.gz WGRVAFJFYXMASX-RMKNXTFCSA-N 1 0 202.729 1.813 10 0 BDAERO c1nc2n(n1)C[C@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000122339677 187465062 /nfs/dbraw/zinc/46/50/62/187465062.db2.gz IHGGUAXTHLQONU-NWDGAFQWSA-N 1 0 232.331 1.539 10 0 BDAERO CC(=O)Nc1ccccc1[C@@H]1CCOCC[NH2+]1 ZINC000616598304 350659928 /nfs/dbraw/zinc/65/99/28/350659928.db2.gz OLWHCKZTOARCRA-LBPRGKRZSA-N 1 0 234.299 1.696 10 0 BDAERO Cc1nn(C)c(N2CCCCCC2)c1C(N)=[NH2+] ZINC000104312531 187460887 /nfs/dbraw/zinc/46/08/87/187460887.db2.gz YJYNOMNKEKHASI-UHFFFAOYSA-N 1 0 235.335 1.393 10 0 BDAERO Nc1ccc(SC[C@H]2CCC[NH2+]C2)nc1 ZINC000043471871 187461778 /nfs/dbraw/zinc/46/17/78/187461778.db2.gz WHBQVBMGZGZIBC-VIFPVBQESA-N 1 0 223.345 1.756 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@H](C)O)C12CCC2 ZINC000309526141 350703336 /nfs/dbraw/zinc/70/33/36/350703336.db2.gz CPYVOWWSIVTQFP-WHOHXGKFSA-N 1 0 227.348 1.551 10 0 BDAERO [NH3+][C@@H](CC1OCCO1)c1cc(F)ccc1F ZINC000236303197 350733253 /nfs/dbraw/zinc/73/32/53/350733253.db2.gz VWYILWVEBQKNDW-JTQLQIEISA-N 1 0 229.226 1.728 10 0 BDAERO CCOC(=O)c1cccc([C@@H]2C[NH2+]CCN2C)c1 ZINC000616605109 350794206 /nfs/dbraw/zinc/79/42/06/350794206.db2.gz SIKGKKLHPKPMRM-ZDUSSCGKSA-N 1 0 248.326 1.439 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2ccc(CO)cc2)C1 ZINC000616604965 350794256 /nfs/dbraw/zinc/79/42/56/350794256.db2.gz HNPSCLDXBWMYJN-OAHLLOKOSA-N 1 0 249.354 1.741 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@H](c2cn[nH]n2)C1 ZINC000616603948 350795468 /nfs/dbraw/zinc/79/54/68/350795468.db2.gz KVCSQGYYVYFZSQ-JTQLQIEISA-N 1 0 208.309 1.783 10 0 BDAERO [NH3+]CCN1CCC[C@H]1c1ccccc1CO ZINC000616607074 350800289 /nfs/dbraw/zinc/80/02/89/350800289.db2.gz FEUPADVLMIDDHH-ZDUSSCGKSA-N 1 0 220.316 1.275 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H](c2cccnc2N)C1 ZINC000616614182 350830303 /nfs/dbraw/zinc/83/03/03/350830303.db2.gz GPANFJBNRKFQLF-SNVBAGLBSA-N 1 0 205.305 1.862 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncnc3c2CCC3)C1 ZINC000382470789 350839446 /nfs/dbraw/zinc/83/94/46/350839446.db2.gz PQQFKWKQJLDZLH-NXEZZACHSA-N 1 0 232.331 1.505 10 0 BDAERO Nc1cccc([C@H]2CCCCN2CC[NH3+])c1 ZINC000616614956 350844116 /nfs/dbraw/zinc/84/41/16/350844116.db2.gz NJIYFTYLBJHFGT-CYBMUJFWSA-N 1 0 219.332 1.755 10 0 BDAERO NC(=O)c1ccccc1[C@H]1CCCCN1CC[NH3+] ZINC000616615009 350844999 /nfs/dbraw/zinc/84/49/99/350844999.db2.gz PMUCNKGITNXBFY-CYBMUJFWSA-N 1 0 247.342 1.271 10 0 BDAERO Nc1cccc([C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000616616752 350855828 /nfs/dbraw/zinc/85/58/28/350855828.db2.gz XAKJKNZMBKGDSI-ZDUSSCGKSA-N 1 0 220.316 1.788 10 0 BDAERO [NH3+]CC1([C@@H](O)[C@H]2CCCSC2)CC1 ZINC000306708842 350857691 /nfs/dbraw/zinc/85/76/91/350857691.db2.gz UCITULNDNNJRNQ-IUCAKERBSA-N 1 0 201.335 1.229 10 0 BDAERO COc1cc([C@]2(F)CC[NH2+]C2)sn1 ZINC000306710423 350860521 /nfs/dbraw/zinc/86/05/21/350860521.db2.gz SVGDIXVLGRQCKP-QMMMGPOBSA-N 1 0 202.254 1.310 10 0 BDAERO CC(C)[N@H+](C)[C@H](CN)C1CCOCC1 ZINC000052176555 187471022 /nfs/dbraw/zinc/47/10/22/187471022.db2.gz TXOWKWKLBNSXCB-LLVKDONJSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@@H]1C[S@](=O)CCN1CC(C)(C)C ZINC000306675201 350826645 /nfs/dbraw/zinc/82/66/45/350826645.db2.gz SCOCOSLROLRUJH-NOZJJQNGSA-N 1 0 203.351 1.485 10 0 BDAERO [NH3+][C@H]1CCN(C[C@H]2CCCSC2)C1 ZINC000306730753 350900309 /nfs/dbraw/zinc/90/03/09/350900309.db2.gz PUINPPUZGHJFPV-ZJUUUORDSA-N 1 0 200.351 1.163 10 0 BDAERO C[C@H]([C@H]1CCCO1)N1CCC(=O)[C@H](C)C1 ZINC000251686306 350900829 /nfs/dbraw/zinc/90/08/29/350900829.db2.gz ICJABUIOUSKBHF-CKYFFXLPSA-N 1 0 211.305 1.465 10 0 BDAERO [NH3+]C/C=C/C(=O)Nc1ncccc1Cl ZINC000306732242 350902667 /nfs/dbraw/zinc/90/26/67/350902667.db2.gz ROOGROFFFFXHFV-DAFODLJHSA-N 1 0 211.652 1.188 10 0 BDAERO [NH3+]C[C@@H](O)Cc1ccsc1Br ZINC000306734668 350904257 /nfs/dbraw/zinc/90/42/57/350904257.db2.gz OHBSYXJGNZETEA-LURJTMIESA-N 1 0 236.134 1.373 10 0 BDAERO NC1=[NH+][C@H](c2sccc2Cl)COC1 ZINC000306735890 350905428 /nfs/dbraw/zinc/90/54/28/350905428.db2.gz PYUNYPPDNDOLLZ-LURJTMIESA-N 1 0 216.693 1.830 10 0 BDAERO C[C@@H]1C[S@@](=O)c2ccc(F)cc2[C@H]1[NH3+] ZINC000251898472 350906473 /nfs/dbraw/zinc/90/64/73/350906473.db2.gz WFIWLYQHYDERSR-QDKDNAJSSA-N 1 0 213.277 1.583 10 0 BDAERO C[C@@H]1CN([C@H](C[NH3+])C(F)(F)F)C[C@H]1C ZINC000252648021 350914130 /nfs/dbraw/zinc/91/41/30/350914130.db2.gz VCMLOJFUZZVIHQ-BWZBUEFSSA-N 1 0 210.243 1.464 10 0 BDAERO C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000252892041 350917096 /nfs/dbraw/zinc/91/70/96/350917096.db2.gz MPMNLNHDIACNPG-DGCLKSJQSA-N 1 0 204.317 1.726 10 0 BDAERO OCC[N@@H+]1CCC[C@H](c2ccccc2CO)C1 ZINC000616618573 350920590 /nfs/dbraw/zinc/92/05/90/350920590.db2.gz ZYFOAKMQAKXDKR-LBPRGKRZSA-N 1 0 235.327 1.351 10 0 BDAERO [NH3+][C@H](c1ccns1)[C@H]1CSCCS1 ZINC000306745749 350933668 /nfs/dbraw/zinc/93/36/68/350933668.db2.gz BMSZJKWLBNTZMS-HTQZYQBOSA-N 1 0 232.399 1.992 10 0 BDAERO CC(C)CCC[N@H+](C)CCN(C)CCO ZINC000623091282 350872575 /nfs/dbraw/zinc/87/25/75/350872575.db2.gz WMZYZKAAVFMBNA-UHFFFAOYSA-N 1 0 216.369 1.279 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+]CC[C@H](C)[S@@](=O)[C@@H]2C1 ZINC000251924828 362987278 /nfs/dbraw/zinc/98/72/78/362987278.db2.gz UWEOLNAXXRPJKK-ZZPVQSCKSA-N 1 0 215.362 1.674 10 0 BDAERO C[C@@H]1C[NH+]=C(N2CCSC(C)(C)C2)N1 ZINC000306724794 350893798 /nfs/dbraw/zinc/89/37/98/350893798.db2.gz JHEBUTSVQCIDMR-MRVPVSSYSA-N 1 0 213.350 1.162 10 0 BDAERO C[C@H]([NH3+])CS(=O)(=O)C1CCCCCC1 ZINC000129040031 350970452 /nfs/dbraw/zinc/97/04/52/350970452.db2.gz RQMLERXYXGOAJX-VIFPVBQESA-N 1 0 219.350 1.471 10 0 BDAERO CCOC[C@](C)(C[NH3+])NCc1ccccc1 ZINC000230067392 350997962 /nfs/dbraw/zinc/99/79/62/350997962.db2.gz NDYUIKQPMSSPKQ-ZDUSSCGKSA-N 1 0 222.332 1.530 10 0 BDAERO Cc1nn(Cc2cncs2)cc1C[NH3+] ZINC000159782734 351001999 /nfs/dbraw/zinc/00/19/99/351001999.db2.gz NZUAZUXKGNTTLJ-UHFFFAOYSA-N 1 0 208.290 1.155 10 0 BDAERO OC[C@@]1(Cc2cncs2)CCC[NH2+]C1 ZINC000159817241 351006087 /nfs/dbraw/zinc/00/60/87/351006087.db2.gz CREWZYRUYZJVBA-SNVBAGLBSA-N 1 0 212.318 1.048 10 0 BDAERO CC(C)(C)[C@@](F)(C[NH3+])c1cnc(N)s1 ZINC000159900381 351018901 /nfs/dbraw/zinc/01/89/01/351018901.db2.gz QQTGYDVFLWVLFX-SECBINFHSA-N 1 0 217.313 1.895 10 0 BDAERO NC1=[NH+]C[C@@H]([C@H]2CCCO2)N1Cc1ccccc1 ZINC000129260998 351020907 /nfs/dbraw/zinc/02/09/07/351020907.db2.gz VITBGWZGQWBKRH-QWHCGFSZSA-N 1 0 245.326 1.365 10 0 BDAERO Nc1ncc([C@@]2(F)CCC[NH2+]CC2)s1 ZINC000159901865 351024113 /nfs/dbraw/zinc/02/41/13/351024113.db2.gz LNLZGCSAQQVGQO-SECBINFHSA-N 1 0 215.297 1.664 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2cccc(CCO)c2)C1 ZINC000616621578 351043438 /nfs/dbraw/zinc/04/34/38/351043438.db2.gz SXARQPZQHJXGMG-HNNXBMFYSA-N 1 0 248.370 1.360 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1CCCC1(C)C ZINC000063067254 351046566 /nfs/dbraw/zinc/04/65/66/351046566.db2.gz ZZCRMMJDNCDKHH-MRVPVSSYSA-N 1 0 200.351 1.926 10 0 BDAERO CC(C)(O)C[NH2+]CC(C)(C)c1ccccn1 ZINC000258776217 351066876 /nfs/dbraw/zinc/06/68/76/351066876.db2.gz ICSMMSCUSJAEHL-UHFFFAOYSA-N 1 0 222.332 1.720 10 0 BDAERO Cc1cc(CC(=O)[C@H]2COC[C@@H]2[NH3+])cs1 ZINC000306808334 351061399 /nfs/dbraw/zinc/06/13/99/351061399.db2.gz OSRUGCVMKUQXGM-UWVGGRQHSA-N 1 0 225.313 1.142 10 0 BDAERO C[C@@H]1C[NH+]=C(NCc2cnns2)S1 ZINC000306772650 351010526 /nfs/dbraw/zinc/01/05/26/351010526.db2.gz HSAONANSHSBMLE-RXMQYKEDSA-N 1 0 214.319 1.119 10 0 BDAERO Nc1ncccc1[C@H]1CCCC[N@H+](CCO)C1 ZINC000616630466 351102941 /nfs/dbraw/zinc/10/29/41/351102941.db2.gz YOZSJPQFHZUNSZ-NSHDSACASA-N 1 0 235.331 1.226 10 0 BDAERO CCOC(=O)c1cccc([C@@H]2C[NH2+]CCN2)c1 ZINC000616631730 351108444 /nfs/dbraw/zinc/10/84/44/351108444.db2.gz FXEHXUPYWYQIEG-LBPRGKRZSA-N 1 0 234.299 1.097 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccon2)C1 ZINC000616632359 351111145 /nfs/dbraw/zinc/11/11/45/351111145.db2.gz OISKOOAZYYYXMZ-SNVBAGLBSA-N 1 0 209.293 1.419 10 0 BDAERO CC(=O)Nc1cccc([C@@H]2CN(C)CC[NH2+]2)c1 ZINC000616632577 351112415 /nfs/dbraw/zinc/11/24/15/351112415.db2.gz MEFCPKXFPKCRCS-ZDUSSCGKSA-N 1 0 233.315 1.221 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cccnc2)C1 ZINC000616632635 351112680 /nfs/dbraw/zinc/11/26/80/351112680.db2.gz UFAYYWJSUJNBIW-GFCCVEGCSA-N 1 0 219.332 1.826 10 0 BDAERO CC(C)[N@@H+]1CCN[C@H](c2cccnc2N)C1 ZINC000616633075 351114643 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IOPNUMZHAYAAIT-UHFFFAOYSA-N 1 0 201.701 1.847 10 0 BDAERO c1ncc(C2=CCC[C@@H]3CC[C@H]2[NH2+]3)cn1 ZINC000013472629 187480433 /nfs/dbraw/zinc/48/04/33/187480433.db2.gz PAOZWTXNJKJBTG-ZYHUDNBSSA-N 1 0 201.273 1.774 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](OCc2csnn2)C1 ZINC000306958952 351381111 /nfs/dbraw/zinc/38/11/11/351381111.db2.gz WQPICICTRUGBTE-VXNVDRBHSA-N 1 0 213.306 1.325 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000034936747 351350382 /nfs/dbraw/zinc/35/03/82/351350382.db2.gz VXGLTGKYJXPUQA-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CCCO1)C(=O)NC1CCCC1 ZINC000034936743 351350484 /nfs/dbraw/zinc/35/04/84/351350484.db2.gz MXLAPAHBANQWAE-CMPLNLGQSA-N 1 0 240.347 1.202 10 0 BDAERO CCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000034938633 351353424 /nfs/dbraw/zinc/35/34/24/351353424.db2.gz GYTHMNQYNBREFB-GHMZBOCLSA-N 1 0 228.336 1.060 10 0 BDAERO COC[C@@H]([NH3+])CCCOCc1ccccc1 ZINC000306932809 351359046 /nfs/dbraw/zinc/35/90/46/351359046.db2.gz FHKQUFOZSJKXHW-ZDUSSCGKSA-N 1 0 223.316 1.957 10 0 BDAERO BrC1=CCCN([C@@H]2CC[NH2+]C2)C1 ZINC000404438782 351450112 /nfs/dbraw/zinc/45/01/12/351450112.db2.gz VVUOIYHPJYWQQU-SECBINFHSA-N 1 0 231.137 1.333 10 0 BDAERO CS[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000307067528 351462648 /nfs/dbraw/zinc/46/26/48/351462648.db2.gz LEWHPBRTUVEXKY-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO C[C@H](NC1=[NH+]C[C@H](C)CS1)C(F)F ZINC000307009330 351416832 /nfs/dbraw/zinc/41/68/32/351416832.db2.gz HXALIYOUNIBXFL-WDSKDSINSA-N 1 0 208.277 1.969 10 0 BDAERO [NH3+][C@@H]1CC[C@H](N2CCC=C(Cl)C2)C1 ZINC000404396405 351421796 /nfs/dbraw/zinc/42/17/96/351421796.db2.gz PYNOKWWHWIBHLS-ZJUUUORDSA-N 1 0 200.713 1.695 10 0 BDAERO C[C@@](O)([C@H]1CC[NH2+]C1)C(F)(F)Br ZINC000307150328 351504009 /nfs/dbraw/zinc/50/40/09/351504009.db2.gz SVHCIYFIKKXIKO-NTSWFWBYSA-N 1 0 244.079 1.335 10 0 BDAERO CC[C@](C)([C@@H](C)[NH3+])N1CCOC[C@@H]1C ZINC000307150790 351505021 /nfs/dbraw/zinc/50/50/21/351505021.db2.gz 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BDAERO Cn1cc(Cl)c(CNC2=[NH+]CCS2)n1 ZINC000307536749 352641587 /nfs/dbraw/zinc/64/15/87/352641587.db2.gz QEUCSJOFEZVZLA-UHFFFAOYSA-N 1 0 230.724 1.266 10 0 BDAERO C[NH+]1CC(CNc2cc(Cl)nnc2Cl)C1 ZINC000307542101 352645697 /nfs/dbraw/zinc/64/56/97/352645697.db2.gz YNXZXULHTHXFSB-UHFFFAOYSA-N 1 0 247.129 1.757 10 0 BDAERO CCC[N@@H+]1CC[C@@]2(C1)NC[C@@H](C)CS2 ZINC000307553716 352648646 /nfs/dbraw/zinc/64/86/46/352648646.db2.gz LRQBLGFBFGBHGO-GHMZBOCLSA-N 1 0 214.378 1.771 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@]1(C)C1CCCC1 ZINC000229213098 352652782 /nfs/dbraw/zinc/65/27/82/352652782.db2.gz DMJBSBZZINKPGI-ZYHUDNBSSA-N 1 0 211.305 1.575 10 0 BDAERO C[NH2+]C[C@H]1CCCO[C@@H]1c1csnn1 ZINC000307601294 352667147 /nfs/dbraw/zinc/66/71/47/352667147.db2.gz USFFMSKTSSSHEM-APPZFPTMSA-N 1 0 213.306 1.225 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1CCO[C@H](C)[C@H]1C ZINC000307601615 352667644 /nfs/dbraw/zinc/66/76/44/352667644.db2.gz VCDDVEGYCZDYFD-MXWKQRLJSA-N 1 0 200.326 1.079 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1ncc(Cl)cn1 ZINC000307604467 352668618 /nfs/dbraw/zinc/66/86/18/352668618.db2.gz WERAALBNJUWMTG-WDSKDSINSA-N 1 0 200.673 1.278 10 0 BDAERO Cc1nc([C@@H]([NH3+])C2CSC2)cs1 ZINC000405019401 352669213 /nfs/dbraw/zinc/66/92/13/352669213.db2.gz QPLKXGXGXAEKOP-QMMMGPOBSA-N 1 0 200.332 1.814 10 0 BDAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCOC[C@H]2O)C1 ZINC000725273290 538104872 /nfs/dbraw/zinc/10/48/72/538104872.db2.gz SQYVXCPZACOMTO-WHOHXGKFSA-N 1 0 213.321 1.114 10 0 BDAERO C[C@@H]1CN[C@]2(CCC[NH2+][C@H]2C)SC1 ZINC000307502269 352630505 /nfs/dbraw/zinc/63/05/05/352630505.db2.gz NZXZOUDNCMHMCW-KXUCPTDWSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@]1([C@@H](O)[C@@H]2CCCC[NH2+]2)CCCS1 ZINC000307517998 352632991 /nfs/dbraw/zinc/63/29/91/352632991.db2.gz KLENKCUGFWMWBP-GARJFASQSA-N 1 0 215.362 1.775 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)N1CCc2sccc2C1 ZINC000307628935 352706076 /nfs/dbraw/zinc/70/60/76/352706076.db2.gz MRNHIVJCNPPTDQ-BDAKNGLRSA-N 1 0 210.346 1.842 10 0 BDAERO CC[NH2+][C@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C ZINC000253162252 538105084 /nfs/dbraw/zinc/10/50/84/538105084.db2.gz VRBMJBYLEISNOQ-MNOVXSKESA-N 1 0 248.392 1.045 10 0 BDAERO C[C@@H]1COCC[C@]1(C[NH3+])NCc1ccccc1 ZINC000307615752 352674180 /nfs/dbraw/zinc/67/41/80/352674180.db2.gz QWLHZIJNGVUXMP-TZMCWYRMSA-N 1 0 234.343 1.530 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@]1(C[NH3+])CCO ZINC000307670105 352749669 /nfs/dbraw/zinc/74/96/69/352749669.db2.gz PDCXYAMNGMMJTE-GFCCVEGCSA-N 1 0 244.335 1.097 10 0 BDAERO Cn1cnnc1S[C@H](C[NH3+])C(C)(C)C ZINC000043297544 180797187 /nfs/dbraw/zinc/79/71/87/180797187.db2.gz NYOUBFUAHOWXEA-SSDOTTSWSA-N 1 0 214.338 1.281 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C[S@](=O)C2CCCC2)C1 ZINC000307685903 352850749 /nfs/dbraw/zinc/85/07/49/352850749.db2.gz ATZXIXZAEBLCFI-RULNRJAQSA-N 1 0 215.362 1.805 10 0 BDAERO C[C@@H](c1cccs1)N(C)C1=[NH+]CCN1 ZINC000307688434 352920907 /nfs/dbraw/zinc/92/09/07/352920907.db2.gz HJGLRMKUADXSEV-QMMMGPOBSA-N 1 0 209.318 1.700 10 0 BDAERO Cc1cc(C[C@H]([NH3+])[C@@H]2CCOC2)cs1 ZINC000307687991 352920999 /nfs/dbraw/zinc/92/09/99/352920999.db2.gz FPUIIVQGXROODM-MNOVXSKESA-N 1 0 211.330 1.963 10 0 BDAERO O=C(NC[C@@H]1CCCC12CC2)[C@@H]1CC[NH2+]C1 ZINC000638795164 352884502 /nfs/dbraw/zinc/88/45/02/352884502.db2.gz MPJHSDOQRDGBQA-MNOVXSKESA-N 1 0 222.332 1.292 10 0 BDAERO CCCCCN(C(=O)N1CC[NH2+]CC1)C(C)C ZINC000042555975 168683248 /nfs/dbraw/zinc/68/32/48/168683248.db2.gz DURAJNZWZCPBOK-UHFFFAOYSA-N 1 0 241.379 1.912 10 0 BDAERO COC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000383432568 352980377 /nfs/dbraw/zinc/98/03/77/352980377.db2.gz CCGYXGRNXBFJSD-TUAOUCFPSA-N 1 0 241.331 1.175 10 0 BDAERO C/C(C[NH3+])=C1\CCC[C@H](S(C)(=O)=O)C1 ZINC000393685442 353017381 /nfs/dbraw/zinc/01/73/81/353017381.db2.gz YASBKXDCZQLLTK-QROTZFDESA-N 1 0 217.334 1.249 10 0 BDAERO C[C@]1(C(=O)N[C@@H]2CCCC23CC3)CCC[NH2+]1 ZINC000638834846 353020232 /nfs/dbraw/zinc/02/02/32/353020232.db2.gz RQHBSVPXVUKRSS-ZYHUDNBSSA-N 1 0 222.332 1.577 10 0 BDAERO [NH3+]C1(CN[C@@H]2CCCCC2(F)F)CC1 ZINC000306565422 353025713 /nfs/dbraw/zinc/02/57/13/353025713.db2.gz FKISLDRMEZMCPL-MRVPVSSYSA-N 1 0 204.264 1.645 10 0 BDAERO Cc1nc(NC[C@@H](C)[NH3+])ncc1Br ZINC000306666001 353033005 /nfs/dbraw/zinc/03/30/05/353033005.db2.gz YXKGWDBTXUUQIH-RXMQYKEDSA-N 1 0 245.124 1.307 10 0 BDAERO CCc1nn(C)cc1C[NH2+]CC[C@@H]1CCCO1 ZINC000092368696 538106790 /nfs/dbraw/zinc/10/67/90/538106790.db2.gz WZORJIMSNYUHCV-LBPRGKRZSA-N 1 0 237.347 1.641 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CCCCC[C@H]([NH3+])C2)O1 ZINC000638816539 352997228 /nfs/dbraw/zinc/99/72/28/352997228.db2.gz NVAGCPIEBQQPNG-GRYCIOLGSA-N 1 0 240.347 1.284 10 0 BDAERO Cc1nc2c(ncnc2C2([NH3+])CC2)s1 ZINC000306227652 352997317 /nfs/dbraw/zinc/99/73/17/352997317.db2.gz DOKPNNRZRPGVTO-UHFFFAOYSA-N 1 0 206.274 1.343 10 0 BDAERO CN(CC1CC1)c1[nH+]ncc(N)c1Cl ZINC000306313745 353003764 /nfs/dbraw/zinc/00/37/64/353003764.db2.gz NDKKMNMFNYSMJM-UHFFFAOYSA-N 1 0 212.684 1.558 10 0 BDAERO CC[C@@H]1CS[C@@](C)([C@@H]2CCCO2)[NH2+]1 ZINC000306703507 353036047 /nfs/dbraw/zinc/03/60/47/353036047.db2.gz GTGFNGMVTMQELC-UTLUCORTSA-N 1 0 201.335 1.997 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@](=O)CCC[NH2+]1 ZINC000306407530 353010626 /nfs/dbraw/zinc/01/06/26/353010626.db2.gz GKHDFHBLTBZBES-TVQRCGJNSA-N 1 0 203.351 1.533 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCCC23CC3)CC1 ZINC000638831158 353011471 /nfs/dbraw/zinc/01/14/71/353011471.db2.gz JFELEKWJYXRHQH-HTAVTVPLSA-N 1 0 236.359 1.953 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCC12CC2 ZINC000638832114 353013507 /nfs/dbraw/zinc/01/35/07/353013507.db2.gz DVBSOXYVVCEPEI-GHMZBOCLSA-N 1 0 224.348 1.809 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC12CC2 ZINC000638832960 353013930 /nfs/dbraw/zinc/01/39/30/353013930.db2.gz SMWUAEORKXVRMD-VHSXEESVSA-N 1 0 210.321 1.563 10 0 BDAERO CCC(C)(C)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638891870 353059443 /nfs/dbraw/zinc/05/94/43/353059443.db2.gz VGAYBBPJSUXVGO-VHSXEESVSA-N 1 0 212.337 1.476 10 0 BDAERO COC(=O)[C@H](C)[N@@H+]1CCCC12CCCC2 ZINC000307173134 353059524 /nfs/dbraw/zinc/05/95/24/353059524.db2.gz QZBDQYSHNVBVNV-JTQLQIEISA-N 1 0 211.305 1.957 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@@H]1C[NH3+] ZINC000638905319 353060552 /nfs/dbraw/zinc/06/05/52/353060552.db2.gz TUNLAKJEBCBCGT-UTUOFQBUSA-N 1 0 222.332 1.396 10 0 BDAERO CC(C)(C)[C@@](O)(C[NH3+])c1ccsn1 ZINC000307245907 353063149 /nfs/dbraw/zinc/06/31/49/353063149.db2.gz WUKFIBUUKCOQFE-SECBINFHSA-N 1 0 200.307 1.336 10 0 BDAERO C[C@H]1CCSCCN1C[C@@H]1CC[NH2+]1 ZINC000307385040 353072065 /nfs/dbraw/zinc/07/20/65/353072065.db2.gz KDJDSKDRJAVCSX-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO CC[C@@H]1CC[C@@](C[NH3+])(c2ncns2)C1 ZINC000306934371 353046038 /nfs/dbraw/zinc/04/60/38/353046038.db2.gz GMXHQIWZROMHOK-PSASIEDQSA-N 1 0 211.334 1.945 10 0 BDAERO C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1C[NH3+] ZINC000638888623 353050249 /nfs/dbraw/zinc/05/02/49/353050249.db2.gz NZCKGJMPTCTANO-SFYZADRCSA-N 1 0 241.722 1.335 10 0 BDAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000638889085 353050701 /nfs/dbraw/zinc/05/07/01/353050701.db2.gz CRBFLKKSTFPCFU-MNOVXSKESA-N 1 0 248.326 1.367 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1C[NH3+] ZINC000638884207 353051213 /nfs/dbraw/zinc/05/12/13/353051213.db2.gz BGXKVWCYMUTLAX-HTQZYQBOSA-N 1 0 242.706 1.600 10 0 BDAERO C[C@H]1CN(C(=O)CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000638884061 353051517 /nfs/dbraw/zinc/05/15/17/353051517.db2.gz FBMHPYZVCSCWIB-JSGCOSHPSA-N 1 0 246.354 1.672 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000638884355 353051575 /nfs/dbraw/zinc/05/15/75/353051575.db2.gz HELVUIOJNDBFPN-GXSJLCMTSA-N 1 0 236.290 1.493 10 0 BDAERO COc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638885232 353052050 /nfs/dbraw/zinc/05/20/50/353052050.db2.gz LYSJNNLHWWGTAJ-ZYHUDNBSSA-N 1 0 248.326 1.362 10 0 BDAERO C[C@H]1CN(C(=O)Cc2ccsc2)C[C@H]1C[NH3+] ZINC000638884675 353052258 /nfs/dbraw/zinc/05/22/58/353052258.db2.gz IIRWRXTYPUONEM-GXSJLCMTSA-N 1 0 238.356 1.344 10 0 BDAERO C[C@@H]1CN(C(=O)CC(C)(C)C)C[C@@H]1C[NH3+] ZINC000638885557 353052592 /nfs/dbraw/zinc/05/25/92/353052592.db2.gz OAQYOBULWONUMH-ZJUUUORDSA-N 1 0 212.337 1.476 10 0 BDAERO C[C@H]1CN(C(=O)[C@H]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000638886012 353052817 /nfs/dbraw/zinc/05/28/17/353052817.db2.gz FESOQJMJXYSRQK-MROQNXINSA-N 1 0 238.375 1.866 10 0 BDAERO Cc1cccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000638886703 353053249 /nfs/dbraw/zinc/05/32/49/353053249.db2.gz RKGYXAFXBTUHKH-ONGXEEELSA-N 1 0 233.315 1.057 10 0 BDAERO C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)C1CC1 ZINC000638894343 353055380 /nfs/dbraw/zinc/05/53/80/353055380.db2.gz OSMNURIVKRIAAT-WCABBAIRSA-N 1 0 210.321 1.086 10 0 BDAERO C[C@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C[NH3+] ZINC000638896536 353057267 /nfs/dbraw/zinc/05/72/67/353057267.db2.gz ZOMCIRQWTRCSMG-WCQYABFASA-N 1 0 247.342 1.067 10 0 BDAERO C[C@H]([NH3+])c1cncn1[C@H]1CS[C@@H](C)C1 ZINC000307718397 353109241 /nfs/dbraw/zinc/10/92/41/353109241.db2.gz OZNBLSHIZIUCKM-XHNCKOQMSA-N 1 0 211.334 1.969 10 0 BDAERO C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)C[NH2+]1 ZINC000307738924 353122476 /nfs/dbraw/zinc/12/24/76/353122476.db2.gz XSDOSPKIPAQIKL-RQJHMYQMSA-N 1 0 224.226 1.053 10 0 BDAERO COc1ncc([C@]2(F)CC[C@@H]([NH3+])C2)s1 ZINC000307755548 353130104 /nfs/dbraw/zinc/13/01/04/353130104.db2.gz DXBCUAPCESLQMK-MUWHJKNJSA-N 1 0 216.281 1.828 10 0 BDAERO CC(C)n1nccc1[C@@H](C[NH3+])C1(CO)CCC1 ZINC000536953837 323962031 /nfs/dbraw/zinc/96/20/31/323962031.db2.gz KXPTXQGQICEIIL-LLVKDONJSA-N 1 0 237.347 1.669 10 0 BDAERO CC(C)N(C)C(=O)CN1CCCC[C@H]1CC[NH3+] ZINC000111380829 188061123 /nfs/dbraw/zinc/06/11/23/188061123.db2.gz RPUZZACYCIWUJL-LBPRGKRZSA-N 1 0 241.379 1.057 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)C[C@H](C)OC ZINC000304531637 188076768 /nfs/dbraw/zinc/07/67/68/188076768.db2.gz BTUVKBYWHURXEO-NWDGAFQWSA-N 1 0 233.352 1.131 10 0 BDAERO C1CC[C@H](c2nnc3n2CCCCC3)[NH2+]C1 ZINC000036896154 188082799 /nfs/dbraw/zinc/08/27/99/188082799.db2.gz KMUPLPYWEAAQTK-SNVBAGLBSA-N 1 0 220.320 1.819 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)c1ccccc1 ZINC000143069903 353156097 /nfs/dbraw/zinc/15/60/97/353156097.db2.gz LGDKQHGFWOMPFQ-KOLCDFICSA-N 1 0 220.272 1.446 10 0 BDAERO CN(C)c1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000041028342 188083817 /nfs/dbraw/zinc/08/38/17/188083817.db2.gz OZVNNPHFKUVZRQ-GFCCVEGCSA-N 1 0 247.342 1.316 10 0 BDAERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)C1OCCO1 ZINC000123833457 188083833 /nfs/dbraw/zinc/08/38/33/188083833.db2.gz GGEGEFKDBZBPNW-NWDGAFQWSA-N 1 0 241.331 1.393 10 0 BDAERO CCc1nc(CC[NH2+]C[C@H]2C[C@@H]2C)no1 ZINC000336760212 353171482 /nfs/dbraw/zinc/17/14/82/353171482.db2.gz LPKQWLPQEYDWGO-DTWKUNHWSA-N 1 0 209.293 1.420 10 0 BDAERO CC(C)[C@@](C)(CO)[NH2+]C[C@H](O)COC(C)(C)C ZINC000352895724 188098148 /nfs/dbraw/zinc/09/81/48/188098148.db2.gz WGPOEDYRWVJJHH-WCQYABFASA-N 1 0 247.379 1.159 10 0 BDAERO c1cc(N2CC[C@@]3(CCC[NH2+]3)C2)sn1 ZINC000035855160 188098680 /nfs/dbraw/zinc/09/86/80/188098680.db2.gz JMYPRDVXIGOHBL-JTQLQIEISA-N 1 0 209.318 1.475 10 0 BDAERO CCCCCNC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019488796 168712759 /nfs/dbraw/zinc/71/27/59/168712759.db2.gz HQFZNMWCHAAAIC-MNOVXSKESA-N 1 0 212.337 1.681 10 0 BDAERO CCOc1ccc(C2CC[NH2+]CC2)cn1 ZINC000143353944 353196167 /nfs/dbraw/zinc/19/61/67/353196167.db2.gz RGJDEPMOFHTEAV-UHFFFAOYSA-N 1 0 206.289 1.947 10 0 BDAERO CC(C)N(C)C(=O)COc1ccc(C[NH3+])cc1 ZINC000022174469 188109393 /nfs/dbraw/zinc/10/93/93/188109393.db2.gz URSLYVMZQQAAOC-UHFFFAOYSA-N 1 0 236.315 1.391 10 0 BDAERO C1C[NH+]=C(NC2CCOCC2)SC1 ZINC000036320133 188112234 /nfs/dbraw/zinc/11/22/34/188112234.db2.gz WLASNLIFTZTTKH-UHFFFAOYSA-N 1 0 200.307 1.248 10 0 BDAERO COc1ccc(O[C@@H]2COCC[C@@H]2[NH3+])cc1 ZINC000036305844 188112514 /nfs/dbraw/zinc/11/25/14/188112514.db2.gz GOGUUGPDCMCYBP-NWDGAFQWSA-N 1 0 223.272 1.190 10 0 BDAERO CC(C)(C)c1cnc(CN2CC[NH2+]CC2)o1 ZINC000036946212 188113144 /nfs/dbraw/zinc/11/31/44/188113144.db2.gz GSTWHDLAZAMUMO-UHFFFAOYSA-N 1 0 223.320 1.377 10 0 BDAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000037021780 188113515 /nfs/dbraw/zinc/11/35/15/188113515.db2.gz JLFZLGNWCRBYMP-XBURVNOZSA-N 1 0 216.284 1.837 10 0 BDAERO CC(C)(C)Oc1ccc([C@H]([NH3+])CO)cc1 ZINC000071511778 188113835 /nfs/dbraw/zinc/11/38/35/188113835.db2.gz JJAQRBFLLOWZFU-LLVKDONJSA-N 1 0 209.289 1.856 10 0 BDAERO Cn1cccc1[C@H]1CCCCCN1C(=O)CC[NH3+] ZINC000037801916 188114758 /nfs/dbraw/zinc/11/47/58/188114758.db2.gz FTJHAJNAHWZWDK-CYBMUJFWSA-N 1 0 249.358 1.818 10 0 BDAERO Cc1nn(C(C)C)c(C)c1NC(=O)[C@H](C)[NH3+] ZINC000037771057 188115142 /nfs/dbraw/zinc/11/51/42/188115142.db2.gz OXBGJIDJIZNMAF-ZETCQYMHSA-N 1 0 224.308 1.367 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)N(C)[C@H](C)c1ccncc1 ZINC000037823895 188115180 /nfs/dbraw/zinc/11/51/80/188115180.db2.gz PZITVAVSZCLGRA-PWSUYJOCSA-N 1 0 235.331 1.584 10 0 BDAERO Cc1n[nH]cc1CN[C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000038011321 188115662 /nfs/dbraw/zinc/11/56/62/188115662.db2.gz TWXZDQSJPPEGFW-JQWIXIFHSA-N 1 0 236.363 1.538 10 0 BDAERO NC(=O)c1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000075905575 188115845 /nfs/dbraw/zinc/11/58/45/188115845.db2.gz MFJKBSLXWOAIAF-NSHDSACASA-N 1 0 204.273 1.600 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000038010010 188115965 /nfs/dbraw/zinc/11/59/65/188115965.db2.gz ZUSAVLOBHNZJAB-AAEUAGOBSA-N 1 0 248.326 1.090 10 0 BDAERO FC(F)(F)C(F)(F)OC[C@@H]1CCC[NH2+]1 ZINC000091252385 180878362 /nfs/dbraw/zinc/87/83/62/180878362.db2.gz QCBAZMVMKIOSFG-YFKPBYRVSA-N 1 0 219.153 1.910 10 0 BDAERO CCn1c2ccccc2nc1[C@H]([NH3+])CCO ZINC000040710224 188118574 /nfs/dbraw/zinc/11/85/74/188118574.db2.gz FKMHOPQXKQVHOM-SECBINFHSA-N 1 0 219.288 1.438 10 0 BDAERO Cc1ccc(OCC[C@H](O)CC[NH3+])cc1C ZINC000041243121 188119043 /nfs/dbraw/zinc/11/90/43/188119043.db2.gz LUJZZRIGYFXIDF-GFCCVEGCSA-N 1 0 223.316 1.782 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](O[C@@H]2CCSC2)C1 ZINC000405325903 353188701 /nfs/dbraw/zinc/18/87/01/353188701.db2.gz XDJNAQGMZRZOMJ-KXUCPTDWSA-N 1 0 201.335 1.778 10 0 BDAERO CC(C)C[C@@H]1CSC(N[C@@H]2CCN(C)C2)=[NH+]1 ZINC000042548626 188120941 /nfs/dbraw/zinc/12/09/41/188120941.db2.gz DJTHONPEXRGUAA-GHMZBOCLSA-N 1 0 241.404 1.798 10 0 BDAERO CC[C@@H]1CN(Cc2cccnc2)CC[NH2+]1 ZINC000082925158 188121250 /nfs/dbraw/zinc/12/12/50/188121250.db2.gz HJGBGYDDDFRATM-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO FC(F)(F)c1[nH]c(=S)nc2c1C[NH2+]C2 ZINC000043464089 188121626 /nfs/dbraw/zinc/12/16/26/188121626.db2.gz LCENQSVLDKTHPX-UHFFFAOYSA-N 1 0 221.207 1.387 10 0 BDAERO CC(C)(C)c1nc([C@H](O)CC[NH3+])cs1 ZINC000083298818 188121678 /nfs/dbraw/zinc/12/16/78/188121678.db2.gz SXNAPQLACNLFSU-MRVPVSSYSA-N 1 0 214.334 1.823 10 0 BDAERO C[NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000049648865 188125626 /nfs/dbraw/zinc/12/56/26/188125626.db2.gz PLCLYKVKZQFIDT-CYBMUJFWSA-N 1 0 232.327 1.440 10 0 BDAERO CC(C)C[C@@H](CO)NC(=[NH2+])NC1CCCCC1 ZINC000052047885 188126248 /nfs/dbraw/zinc/12/62/48/188126248.db2.gz NTWLRZFIEMKCRW-LBPRGKRZSA-N 1 0 241.379 1.840 10 0 BDAERO C(C1CCOCC1)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000052174700 188126256 /nfs/dbraw/zinc/12/62/56/188126256.db2.gz HXXHVQNLPHCPOY-ZIAGYGMSSA-N 1 0 238.375 1.629 10 0 BDAERO CCn1c2cc(F)ccc2nc1[C@@H]([NH3+])CO ZINC000052124726 188126278 /nfs/dbraw/zinc/12/62/78/188126278.db2.gz ZMNXOGHVRWBDNP-QMMMGPOBSA-N 1 0 223.251 1.187 10 0 BDAERO CC(C)(C[NH3+])[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000054634494 188126556 /nfs/dbraw/zinc/12/65/56/188126556.db2.gz NWUHHHDRGFIJRT-SNVBAGLBSA-N 1 0 239.340 1.542 10 0 BDAERO CC(C)Cc1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054301257 188127002 /nfs/dbraw/zinc/12/70/02/188127002.db2.gz CJVQQMABIZBEHR-JTQLQIEISA-N 1 0 223.320 1.810 10 0 BDAERO OCC[NH2+]CCOc1ccc2ncccc2c1 ZINC000057520615 188127148 /nfs/dbraw/zinc/12/71/48/188127148.db2.gz AMTGRPPIRSUAGQ-UHFFFAOYSA-N 1 0 232.283 1.196 10 0 BDAERO CC[C@H](CC[NH3+])C(=O)NCc1cccnc1 ZINC000076610670 188134732 /nfs/dbraw/zinc/13/47/32/188134732.db2.gz KILKKSVIEYIIMK-LLVKDONJSA-N 1 0 221.304 1.073 10 0 BDAERO Cc1ccc(CCOC(=O)CC[NH3+])cc1C ZINC000077332483 188135665 /nfs/dbraw/zinc/13/56/65/188135665.db2.gz ADEPCIDPKSXSNM-UHFFFAOYSA-N 1 0 221.300 1.738 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCc1ccccn1 ZINC000077558594 188136033 /nfs/dbraw/zinc/13/60/33/188136033.db2.gz ASJZTSKRPDMMBI-JTQLQIEISA-N 1 0 221.304 1.071 10 0 BDAERO Cc1cccc(S(=O)(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000077388806 188136382 /nfs/dbraw/zinc/13/63/82/188136382.db2.gz CWEACXIJLYIBKL-LBPRGKRZSA-N 1 0 241.356 1.752 10 0 BDAERO CC(C)(C)c1ccnc(CN2CC[NH2+]CC2)n1 ZINC000082547796 188137995 /nfs/dbraw/zinc/13/79/95/188137995.db2.gz QNDKOIJOWFQLPX-UHFFFAOYSA-N 1 0 234.347 1.179 10 0 BDAERO O=C1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)N1 ZINC000079928945 538111280 /nfs/dbraw/zinc/11/12/80/538111280.db2.gz APPWLTAWXXMMGP-SECBINFHSA-N 1 0 240.253 1.333 10 0 BDAERO CC(C)N1C(=O)C[C@@H]([NH2+]CC(C)(C)C)C1=O ZINC000103636151 188150375 /nfs/dbraw/zinc/15/03/75/188150375.db2.gz RZGHVIBNNCLWLS-SECBINFHSA-N 1 0 226.320 1.158 10 0 BDAERO COc1ccc(N)cc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000104144107 188151047 /nfs/dbraw/zinc/15/10/47/188151047.db2.gz DDJPZHILDQKRFO-NSHDSACASA-N 1 0 249.358 1.413 10 0 BDAERO CC(C)(C)[C@H](C[NH3+])N1CCOCC1(C)C ZINC000042461465 188151414 /nfs/dbraw/zinc/15/14/14/188151414.db2.gz FXBUWYKHZGUZQA-JTQLQIEISA-N 1 0 214.353 1.471 10 0 BDAERO Nc1ccc(SC[C@@H]2CCC[NH2+]C2)nc1 ZINC000043471869 188151945 /nfs/dbraw/zinc/15/19/45/188151945.db2.gz WHBQVBMGZGZIBC-SECBINFHSA-N 1 0 223.345 1.756 10 0 BDAERO CC(C)COCC[NH2+][C@H]1CCO[C@@H]1C ZINC000120598605 188174015 /nfs/dbraw/zinc/17/40/15/188174015.db2.gz YDELOFNKZUJISV-MNOVXSKESA-N 1 0 201.310 1.426 10 0 BDAERO C([NH2+][C@H]1CCSC1)[C@H]1CC12CCOCC2 ZINC000335602590 188161259 /nfs/dbraw/zinc/16/12/59/188161259.db2.gz NZFPNRUAVMXZOC-MNOVXSKESA-N 1 0 227.373 1.898 10 0 BDAERO CCC[C@H](CC)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336761273 188171424 /nfs/dbraw/zinc/17/14/24/188171424.db2.gz MOHWTQROBUBLCY-VWYCJHECSA-N 1 0 212.337 1.822 10 0 BDAERO CCc1ccccc1NC(=O)C(C)(C)[NH3+] ZINC000019672542 188172787 /nfs/dbraw/zinc/17/27/87/188172787.db2.gz BLBHLZHYNMUBQC-UHFFFAOYSA-N 1 0 206.289 1.925 10 0 BDAERO C(OC[C@H]1CCCCO1)[C@H]1CCCC[NH2+]1 ZINC000019505536 188172863 /nfs/dbraw/zinc/17/28/63/188172863.db2.gz MFLLRCGAASBHCC-VXGBXAGGSA-N 1 0 213.321 1.714 10 0 BDAERO COc1ccc(OCCCC(N)=[NH2+])cc1 ZINC000019482493 188172963 /nfs/dbraw/zinc/17/29/63/188172963.db2.gz FKKVEPMRAWFANI-UHFFFAOYSA-N 1 0 208.261 1.790 10 0 BDAERO COc1cc(Br)cc(CC[NH3+])n1 ZINC000095767796 188146662 /nfs/dbraw/zinc/14/66/62/188146662.db2.gz NEUBYIDLVZMPOD-UHFFFAOYSA-N 1 0 231.093 1.354 10 0 BDAERO C[NH2+]Cc1cnn(-c2ccc(Cl)nn2)c1 ZINC000040932407 188149462 /nfs/dbraw/zinc/14/94/62/188149462.db2.gz SJPZYESDFUOQBH-UHFFFAOYSA-N 1 0 223.667 1.035 10 0 BDAERO CC(C)([NH3+])c1noc(-c2cccnc2)n1 ZINC000041052848 188150063 /nfs/dbraw/zinc/15/00/63/188150063.db2.gz CYDABIFRVVZXLU-UHFFFAOYSA-N 1 0 204.233 1.325 10 0 BDAERO Nc1c[nH+]c2cccc(C(F)(F)F)n12 ZINC000257916004 188193403 /nfs/dbraw/zinc/19/34/03/188193403.db2.gz XPJXFAHULNPHBP-UHFFFAOYSA-N 1 0 201.151 1.935 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)CC1CCC1 ZINC000638998992 353245836 /nfs/dbraw/zinc/24/58/36/353245836.db2.gz XSCMIBWWMXTRNG-ONGXEEELSA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)(CO)[NH2+]Cc1c(F)cccc1F ZINC000020196217 188175754 /nfs/dbraw/zinc/17/57/54/188175754.db2.gz DEDWRTWUYPTDPM-UHFFFAOYSA-N 1 0 215.243 1.825 10 0 BDAERO COc1cc(C)cc(C)c1C(=O)[C@@H](C)[NH3+] ZINC000082594223 188177207 /nfs/dbraw/zinc/17/72/07/188177207.db2.gz OYAALDOUDGZQEK-SECBINFHSA-N 1 0 207.273 1.842 10 0 BDAERO C[NH2+]Cc1ccc(-n2cccn2)c(F)c1 ZINC000034653486 188182893 /nfs/dbraw/zinc/18/28/93/188182893.db2.gz IBFVNWLXPHBVGR-UHFFFAOYSA-N 1 0 205.236 1.731 10 0 BDAERO CC(C)([NH3+])c1noc([C@@H]2CCCOC2)n1 ZINC000062243471 188184017 /nfs/dbraw/zinc/18/40/17/188184017.db2.gz OCRGLRJYOYWGPU-SSDOTTSWSA-N 1 0 211.265 1.157 10 0 BDAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000638996188 353239889 /nfs/dbraw/zinc/23/98/89/353239889.db2.gz KKYUESYMVRTHJJ-JLLWLGSASA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H](CC1CCC1)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638996186 353239906 /nfs/dbraw/zinc/23/99/06/353239906.db2.gz KKYUESYMVRTHJJ-ADEWGFFLSA-N 1 0 224.348 1.809 10 0 BDAERO OC[C@H]1CSCC[N@@H+]1C1CCCC1 ZINC000335629972 188187976 /nfs/dbraw/zinc/18/79/76/188187976.db2.gz QGYOGQUDCHHSTC-JTQLQIEISA-N 1 0 201.335 1.339 10 0 BDAERO [NH3+]C[C@@H]1[C@H]2CN(C(=O)CCc3ccccc3)C[C@H]21 ZINC000247694110 188192936 /nfs/dbraw/zinc/19/29/36/188192936.db2.gz YPDDAEMFDYLMQF-ZSOGYDGISA-N 1 0 244.338 1.282 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2cncn2C)C[C@H](C)O1 ZINC000341487386 188217922 /nfs/dbraw/zinc/21/79/22/188217922.db2.gz OYRMFNMEAFGAPK-QWRGUYRKSA-N 1 0 237.347 1.713 10 0 BDAERO CC1(C)C[C@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000124418851 188219177 /nfs/dbraw/zinc/21/91/77/188219177.db2.gz RFVCHYJYUHIWOD-MNOVXSKESA-N 1 0 224.348 1.538 10 0 BDAERO [NH3+]Cc1csc(C[C@@H]2CCCCO2)n1 ZINC000129069112 353309019 /nfs/dbraw/zinc/30/90/19/353309019.db2.gz WJXQXQHAXXYBFP-VIFPVBQESA-N 1 0 212.318 1.713 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000308870480 491049195 /nfs/dbraw/zinc/04/91/95/491049195.db2.gz JKOGWBLUJTWSSI-IJLUTSLNSA-N 1 0 213.321 1.164 10 0 BDAERO O=C(C1CC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190437028 353359635 /nfs/dbraw/zinc/35/96/35/353359635.db2.gz MUMVGJOTWGOMBG-JTQLQIEISA-N 1 0 208.305 1.139 10 0 BDAERO F[C@@H]1C[NH2+]CC[C@H]1c1ccc2[nH]ccc2n1 ZINC000089221325 180943267 /nfs/dbraw/zinc/94/32/67/180943267.db2.gz YPXJCORPWOMKNX-RKDXNWHRSA-N 1 0 219.263 1.978 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CC[NH3+] ZINC000216552926 538115632 /nfs/dbraw/zinc/11/56/32/538115632.db2.gz ATSBZGYRUFOVCK-ZJUUUORDSA-N 1 0 228.336 1.838 10 0 BDAERO Cc1cc(Br)cnc1NC(=O)C[NH3+] ZINC000129562557 353392835 /nfs/dbraw/zinc/39/28/35/353392835.db2.gz OXEDGYVYQLHPSD-UHFFFAOYSA-N 1 0 244.092 1.050 10 0 BDAERO CC(C)[S@](=O)[C@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000252211979 363220246 /nfs/dbraw/zinc/22/02/46/363220246.db2.gz YIUMPUNJMIDKFT-QYTUQVAYSA-N 1 0 203.351 1.659 10 0 BDAERO C[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)OC(C)(C)C ZINC000252213324 363220348 /nfs/dbraw/zinc/22/03/48/363220348.db2.gz YPZSAGIQOYNULI-KXUCPTDWSA-N 1 0 226.320 1.604 10 0 BDAERO C[C@H]1SCCN(C(C)(C)C[NH3+])[C@@H]1C ZINC000132278654 353378354 /nfs/dbraw/zinc/37/83/54/353378354.db2.gz HQSOOBURSONAAK-RKDXNWHRSA-N 1 0 202.367 1.550 10 0 BDAERO Cn1nc(C2CC2)nc1[C@@H]1CCCCC[NH2+]1 ZINC000080989973 538116467 /nfs/dbraw/zinc/11/64/67/538116467.db2.gz UHRVWONIFVCOOR-JTQLQIEISA-N 1 0 220.320 1.897 10 0 BDAERO c1n[nH]nc1CN[C@H]1CCc2ccccc21 ZINC000398355311 363224901 /nfs/dbraw/zinc/22/49/01/363224901.db2.gz VDHYEHQOIFLRRV-LBPRGKRZSA-N 1 0 214.272 1.582 10 0 BDAERO Fc1cc(F)cc(N2CCC[NH2+]CC2)c1 ZINC000042325580 180953589 /nfs/dbraw/zinc/95/35/89/180953589.db2.gz SORLMCJCZXDIQK-UHFFFAOYSA-N 1 0 212.243 1.765 10 0 BDAERO Cc1sc(=O)n(CCC2C[NH2+]C2)c1C ZINC000230255389 353481927 /nfs/dbraw/zinc/48/19/27/353481927.db2.gz AXOIMXLAOMHHEK-UHFFFAOYSA-N 1 0 212.318 1.136 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCCSC1)c1nnc[nH]1 ZINC000230426989 353497682 /nfs/dbraw/zinc/49/76/82/353497682.db2.gz XCLDVSDQFUPIIQ-HTQZYQBOSA-N 1 0 212.322 1.351 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2CCSC2)=[NH+]1 ZINC000231359776 353596282 /nfs/dbraw/zinc/59/62/82/353596282.db2.gz CGOONNZLWDRRPO-RNFRBKRXSA-N 1 0 202.348 1.573 10 0 BDAERO Fc1cccc2c1CC1(CC[NH2+]CC1)O2 ZINC000095835475 181005630 /nfs/dbraw/zinc/00/56/30/181005630.db2.gz OCPZAPITSOPHMR-UHFFFAOYSA-N 1 0 207.248 1.883 10 0 BDAERO Fc1ccccc1OCCCN1CC[NH2+]CC1 ZINC000023363310 181014441 /nfs/dbraw/zinc/01/44/41/181014441.db2.gz VVGWGDRUXHHLRL-UHFFFAOYSA-N 1 0 238.306 1.500 10 0 BDAERO Fc1cccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000054701251 181016853 /nfs/dbraw/zinc/01/68/53/181016853.db2.gz YVGMBJLTPBBVBS-SECBINFHSA-N 1 0 210.252 1.599 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@H+](CCn1ccnc1)CC2 ZINC000220391762 353838718 /nfs/dbraw/zinc/83/87/18/353838718.db2.gz JTMVGIDWAWFNEJ-KBPBESRZSA-N 1 0 249.358 1.510 10 0 BDAERO C[C@@H]1[C@@H](NC2=[NH+]CCS2)CO[C@H]1C ZINC000405686682 354736607 /nfs/dbraw/zinc/73/66/07/354736607.db2.gz LXXXIUAZRQMVQY-FXQIFTODSA-N 1 0 200.307 1.102 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Cc1ccncc1 ZINC000226488376 363423821 /nfs/dbraw/zinc/42/38/21/363423821.db2.gz BTEXBFKNAMRXCI-WDEREUQCSA-N 1 0 204.273 1.321 10 0 BDAERO C([C@H]1CCC[NH2+]C1)N1CCOCC12CCC2 ZINC000335205995 355041538 /nfs/dbraw/zinc/04/15/38/355041538.db2.gz FXCGOLFGPNRXNC-LBPRGKRZSA-N 1 0 224.348 1.241 10 0 BDAERO CC[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000413030505 191352020 /nfs/dbraw/zinc/35/20/20/191352020.db2.gz HIIGNURRZOPMKE-ZJUUUORDSA-N 1 0 213.325 1.178 10 0 BDAERO Cc1ccoc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235633759 363449809 /nfs/dbraw/zinc/44/98/09/363449809.db2.gz IHLWUGZKYZENPF-IUCAKERBSA-N 1 0 208.261 1.007 10 0 BDAERO CC(C)c1nccnc1NCC[N@H+]1CC=CCC1 ZINC000413273558 191367664 /nfs/dbraw/zinc/36/76/64/191367664.db2.gz VPBKQIGMGDHOMR-UHFFFAOYSA-N 1 0 246.358 1.696 10 0 BDAERO COc1ncccc1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000394970405 355332125 /nfs/dbraw/zinc/33/21/25/355332125.db2.gz AKJHHJCIWMANGX-CMPLNLGQSA-N 1 0 236.315 1.435 10 0 BDAERO NC(=[NH2+])CCOCc1ccc2c(c1)OCO2 ZINC000019434458 181186138 /nfs/dbraw/zinc/18/61/38/181186138.db2.gz KEXHXMDMGFKXBB-UHFFFAOYSA-N 1 0 222.244 1.258 10 0 BDAERO C[C@@H](C(=O)NC(C)(C)C[NH3+])C(C)(C)C ZINC000399107120 355371453 /nfs/dbraw/zinc/37/14/53/355371453.db2.gz ATXSDMUKLGOGPY-QMMMGPOBSA-N 1 0 200.326 1.522 10 0 BDAERO C[C@H]1CCN[C@]2(CCC[N@H+](C)C2)S1 ZINC000134357858 355502263 /nfs/dbraw/zinc/50/22/63/355502263.db2.gz GJEKISWXZYDEPI-VHSXEESVSA-N 1 0 200.351 1.523 10 0 BDAERO NC(=[NH2+])c1ccc(OC[C@H]2CCCCO2)nc1 ZINC000019505464 181194851 /nfs/dbraw/zinc/19/48/51/181194851.db2.gz XUDPQCBXOLVCOU-SNVBAGLBSA-N 1 0 235.287 1.314 10 0 BDAERO C[C@H]([NH3+])CCNCc1csc(C2CC2)n1 ZINC000414817633 191580447 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/nfs/dbraw/zinc/98/69/85/355986985.db2.gz HMHVFGCMXBEJKV-UHFFFAOYSA-N 1 0 243.266 1.573 10 0 BDAERO NC(=O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000036840309 181235197 /nfs/dbraw/zinc/23/51/97/181235197.db2.gz MZVCPFQXBRSORX-UHFFFAOYSA-N 1 0 204.273 1.008 10 0 BDAERO NC(=O)CNCc1cccc(Cl)c1Cl ZINC000019474163 181235541 /nfs/dbraw/zinc/23/55/41/181235541.db2.gz JVIPOBIONNUXRU-UHFFFAOYSA-N 1 0 233.098 1.568 10 0 BDAERO NC(=O)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000036840675 181235567 /nfs/dbraw/zinc/23/55/67/181235567.db2.gz SFPGDACDOTWISN-UHFFFAOYSA-N 1 0 222.263 1.147 10 0 BDAERO NC(=O)CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000035133903 181225349 /nfs/dbraw/zinc/22/53/49/181225349.db2.gz WSEVFCZOPRTQHM-UHFFFAOYSA-N 1 0 244.241 1.253 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc2[nH]ccc2c1 ZINC000044253160 181244917 /nfs/dbraw/zinc/24/49/17/181244917.db2.gz UOAJEOZWYZHLGM-VIFPVBQESA-N 1 0 203.245 1.043 10 0 BDAERO CC1CC(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)C1 ZINC000379467756 358500455 /nfs/dbraw/zinc/50/04/55/358500455.db2.gz YVPHTEFXCGMRLG-WIFZPCQCSA-N 1 0 210.321 1.241 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCc2occc21 ZINC000040831852 358503332 /nfs/dbraw/zinc/50/33/32/358503332.db2.gz GEUPTWHNKGRGDX-QWRGUYRKSA-N 1 0 236.315 1.901 10 0 BDAERO [NH3+]C1(C(=O)CC2CCOCC2)CCCC1 ZINC000168601973 356454432 /nfs/dbraw/zinc/45/44/32/356454432.db2.gz JRUIHPJRZCDQHJ-UHFFFAOYSA-N 1 0 211.305 1.644 10 0 BDAERO NC(=O)[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000037460185 181276723 /nfs/dbraw/zinc/27/67/23/181276723.db2.gz FEMRCMIBYDSIIU-LLVKDONJSA-N 1 0 200.241 1.325 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2O)CCS1 ZINC000160359961 356469863 /nfs/dbraw/zinc/46/98/63/356469863.db2.gz MCFZHBNIUKRERL-MXWKQRLJSA-N 1 0 215.362 1.727 10 0 BDAERO NC(=O)c1c(Cl)cccc1N[C@@H]1CC[NH2+]C1 ZINC000052906423 181286071 /nfs/dbraw/zinc/28/60/71/181286071.db2.gz RYGRHWGRDWUNED-SSDOTTSWSA-N 1 0 239.706 1.213 10 0 BDAERO CCC(F)(F)CN1C[C@@H](OC)C[C@H]1CO ZINC000639635651 356549535 /nfs/dbraw/zinc/54/95/35/356549535.db2.gz JTGYUBTWJRVSGQ-IUCAKERBSA-N 1 0 223.263 1.113 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOCC1CC1 ZINC000421022095 192305456 /nfs/dbraw/zinc/30/54/56/192305456.db2.gz QFJOYCFOGPZZQQ-JQWIXIFHSA-N 1 0 213.321 1.258 10 0 BDAERO CC[C@@H]([NH2+]Cc1ncn(C)n1)[C@H]1CC1(C)C ZINC000397689070 363486438 /nfs/dbraw/zinc/48/64/38/363486438.db2.gz WMGTVVADAIIDNI-NXEZZACHSA-N 1 0 222.336 1.729 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000336216077 134136528 /nfs/dbraw/zinc/13/65/28/134136528.db2.gz AMTWTUVBZFJRNW-IINYFYTJSA-N 1 0 245.326 1.908 10 0 BDAERO Cc1cnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)nc1 ZINC000630091054 363494733 /nfs/dbraw/zinc/49/47/33/363494733.db2.gz FCMIZOFIAVCCKR-NXEZZACHSA-N 1 0 206.293 1.337 10 0 BDAERO [NH3+]CC[C@@H](O)c1csc(Br)c1 ZINC000083335977 538469302 /nfs/dbraw/zinc/46/93/02/538469302.db2.gz HRGJGRGOKVCTEY-ZCFIWIBFSA-N 1 0 236.134 1.893 10 0 BDAERO CCCN(CC)Cc1csc(C[NH3+])n1 ZINC000052448416 538470464 /nfs/dbraw/zinc/47/04/64/538470464.db2.gz VXAPIKJYTTZTOX-UHFFFAOYSA-N 1 0 213.350 1.834 10 0 BDAERO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C1CCC1 ZINC000675056601 538479159 /nfs/dbraw/zinc/47/91/59/538479159.db2.gz TVOKZHMCKRSZHA-DGCLKSJQSA-N 1 0 222.332 1.435 10 0 BDAERO CCCC(=O)N1CCOc2ccccc2[C@H]1C[NH3+] ZINC000675057880 538481017 /nfs/dbraw/zinc/48/10/17/538481017.db2.gz MUVCYGDVBUAFFZ-GFCCVEGCSA-N 1 0 248.326 1.708 10 0 BDAERO CCNC(=O)NC[C@H]1[NH2+]CCOc2ccccc21 ZINC000675058180 538481242 /nfs/dbraw/zinc/48/12/42/538481242.db2.gz VRUDFBDJRQALLE-LLVKDONJSA-N 1 0 249.314 1.029 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@]1(C)CCCO1 ZINC000389414450 356648898 /nfs/dbraw/zinc/64/88/98/356648898.db2.gz SQWWDUSABYUREB-ZYHUDNBSSA-N 1 0 215.337 1.552 10 0 BDAERO [NH3+]Cc1cn(C2CCC(F)(F)CC2)nn1 ZINC000675051320 538474608 /nfs/dbraw/zinc/47/46/08/538474608.db2.gz GRQFXKNUNJMFHX-UHFFFAOYSA-N 1 0 216.235 1.487 10 0 BDAERO CC1CCC([NH2+][C@@H]2CCCN(CCO)C2)CC1 ZINC000384399435 356640340 /nfs/dbraw/zinc/64/03/40/356640340.db2.gz UECNCJAHWLQIQJ-JXQTWKCFSA-N 1 0 240.391 1.611 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC([NH2+]C2CCC2)C1 ZINC000675055531 538475701 /nfs/dbraw/zinc/47/57/01/538475701.db2.gz VAWLYOXSQZEOJI-JTQLQIEISA-N 1 0 224.348 1.631 10 0 BDAERO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000675056163 538477585 /nfs/dbraw/zinc/47/75/85/538477585.db2.gz KFADWANZSIMWLX-ZYHUDNBSSA-N 1 0 208.305 1.045 10 0 BDAERO Cc1cc(F)ccc1[C@@H]1CC[NH2+]C[C@H]1N ZINC000675056180 538477639 /nfs/dbraw/zinc/47/76/39/538477639.db2.gz LDLKJEYHKLFKTK-NWDGAFQWSA-N 1 0 208.280 1.538 10 0 BDAERO COc1cc2c(cc1F)C[C@H]([C@@H](C)[NH3+])CO2 ZINC000675063591 538490229 /nfs/dbraw/zinc/49/02/29/538490229.db2.gz JFYOXHONGSDFLA-APPZFPTMSA-N 1 0 225.263 1.733 10 0 BDAERO CC1(C(=O)NC[C@@H]2C[C@@H]3C[C@H]([NH3+])[C@H]3C2)CC1 ZINC000675069044 538497444 /nfs/dbraw/zinc/49/74/44/538497444.db2.gz GALGUAPSSYCIFN-ZNSHCXBVSA-N 1 0 222.332 1.276 10 0 BDAERO C[C@@H]([NH3+])c1ccc(-c2c(N)cnn2C)cc1 ZINC000675069860 538498939 /nfs/dbraw/zinc/49/89/39/538498939.db2.gz IWBFVQDTQQVZSN-MRVPVSSYSA-N 1 0 216.288 1.689 10 0 BDAERO COc1nc2c(F)cccc2cc1C[NH3+] ZINC000675069919 538499414 /nfs/dbraw/zinc/49/94/14/538499414.db2.gz MNVDLJHFXOVHHA-UHFFFAOYSA-N 1 0 206.220 1.841 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]2C[C@H](NC(=O)C3CCC3)[C@@H]2C1 ZINC000675070094 538499713 /nfs/dbraw/zinc/49/97/13/538499713.db2.gz LIPGNNYFHHKWBE-HKWIRBFKSA-N 1 0 222.332 1.276 10 0 BDAERO COc1ccc2cc(C[NH3+])c(=O)[nH]c2c1OC ZINC000675070040 538499811 /nfs/dbraw/zinc/49/98/11/538499811.db2.gz OTMUNLDHKHHVSW-UHFFFAOYSA-N 1 0 234.255 1.416 10 0 BDAERO COc1nc2c(F)cc(F)cc2cc1C[NH3+] ZINC000675070230 538499863 /nfs/dbraw/zinc/49/98/63/538499863.db2.gz SNKICPSDHDUYBH-UHFFFAOYSA-N 1 0 224.210 1.980 10 0 BDAERO CC[C@@H](C)N1CC[NH+](CC(O)(CC)CC)CC1 ZINC000168036315 134155714 /nfs/dbraw/zinc/15/57/14/134155714.db2.gz RBDCDUMDECJLMR-CYBMUJFWSA-N 1 0 242.407 1.954 10 0 BDAERO CCCCNC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675070189 538499896 /nfs/dbraw/zinc/49/98/96/538499896.db2.gz MZRHLQZDHMUQKB-ZYHUDNBSSA-N 1 0 225.336 1.309 10 0 BDAERO CC1(C(=O)NC[C@@]23C[C@@H]2CCC[NH2+]3)CC1 ZINC000675070347 538501110 /nfs/dbraw/zinc/50/11/10/538501110.db2.gz ORDWOTKPFCILKL-CABZTGNLSA-N 1 0 208.305 1.045 10 0 BDAERO CC(C)CNC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675071196 538501929 /nfs/dbraw/zinc/50/19/29/538501929.db2.gz XGXWDPLDEPJLCC-WYUUTHIRSA-N 1 0 239.363 1.315 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675071260 538502708 /nfs/dbraw/zinc/50/27/08/538502708.db2.gz ZHHCMCRJLCBYKY-QWQWKMKNSA-N 1 0 238.375 1.768 10 0 BDAERO O[C@H]1C=C(Cc2ccncc2Cl)C[NH2+]C1 ZINC000675076612 538511490 /nfs/dbraw/zinc/51/14/90/538511490.db2.gz FAYFWYIEHPXCAD-JTQLQIEISA-N 1 0 224.691 1.168 10 0 BDAERO CCC(C)(C)NC(=O)Nc1nc(C[NH3+])cs1 ZINC000675073320 538505073 /nfs/dbraw/zinc/50/50/73/538505073.db2.gz MQSWKCUCKDNBBZ-UHFFFAOYSA-N 1 0 242.348 1.912 10 0 BDAERO CC1(C)CN(C(=O)Cc2ccncc2)CC[C@@H]1[NH3+] ZINC000259087144 535337069 /nfs/dbraw/zinc/33/70/69/535337069.db2.gz PWSVRJKGBZUSFX-LBPRGKRZSA-N 1 0 247.342 1.210 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCCOCC1 ZINC000168022004 134155360 /nfs/dbraw/zinc/15/53/60/134155360.db2.gz AAWHKRLHDHDBAJ-NSHDSACASA-N 1 0 201.310 1.116 10 0 BDAERO Cc1nc(CC2=C[C@H](O)C[NH2+]C2)sc1C ZINC000675077743 538513396 /nfs/dbraw/zinc/51/33/96/538513396.db2.gz REORPILPIXLKKJ-JTQLQIEISA-N 1 0 224.329 1.193 10 0 BDAERO [NH3+]CC[C@@H](O)c1cc(F)cc(Br)c1 ZINC000083557789 538514327 /nfs/dbraw/zinc/51/43/27/538514327.db2.gz LTKZXVAVIYLNSF-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO O[C@@H]1C=C(c2c(F)cccc2F)C[NH2+]C1 ZINC000675078611 538516335 /nfs/dbraw/zinc/51/63/35/538516335.db2.gz ZQIXMQKZDPBKHG-MRVPVSSYSA-N 1 0 211.211 1.312 10 0 BDAERO CC1(CC2=C[C@H](N)C[NH2+]C2)CCOCC1 ZINC000675078451 538516539 /nfs/dbraw/zinc/51/65/39/538516539.db2.gz PUFHUBWDOKIDGI-NSHDSACASA-N 1 0 210.321 1.050 10 0 BDAERO CCC(O)(CC)C[NH+]1CCC(C)(O)CC1 ZINC000163024690 202147154 /nfs/dbraw/zinc/14/71/54/202147154.db2.gz WALQLOGSHBREHN-UHFFFAOYSA-N 1 0 215.337 1.384 10 0 BDAERO CC(C)(C)C(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675080199 538519717 /nfs/dbraw/zinc/51/97/17/538519717.db2.gz ONCYNICGLFUPJU-BXKDBHETSA-N 1 0 210.321 1.372 10 0 BDAERO Cc1csc(C)c1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077284 538512209 /nfs/dbraw/zinc/51/22/09/538512209.db2.gz KUDKHRUWTGASQA-SNVBAGLBSA-N 1 0 209.314 1.712 10 0 BDAERO Cc1nc(CC2=C[C@H](O)C[NH2+]C2)c(C)s1 ZINC000675077317 538512515 /nfs/dbraw/zinc/51/25/15/538512515.db2.gz LEEKUKXTCAMKDP-JTQLQIEISA-N 1 0 224.329 1.193 10 0 BDAERO Cc1nc(C)c(CC2=C[C@H](O)C[NH2+]C2)s1 ZINC000675077012 538512698 /nfs/dbraw/zinc/51/26/98/538512698.db2.gz ILPCNBQMDBNTKZ-JTQLQIEISA-N 1 0 224.329 1.193 10 0 BDAERO Cc1cccc(CC2=C[C@H](O)C[NH2+]C2)c1 ZINC000675077368 538512837 /nfs/dbraw/zinc/51/28/37/538512837.db2.gz LWUIRQLVNAUBNB-ZDUSSCGKSA-N 1 0 203.285 1.428 10 0 BDAERO Cc1cccc(CC2=C[C@@H](O)C[NH2+]C2)c1 ZINC000675077367 538512881 /nfs/dbraw/zinc/51/28/81/538512881.db2.gz LWUIRQLVNAUBNB-CYBMUJFWSA-N 1 0 203.285 1.428 10 0 BDAERO Cn1nc(C(C)(C)C)nc1C[C@@H]1CC[NH2+]C1 ZINC000084381289 538532953 /nfs/dbraw/zinc/53/29/53/538532953.db2.gz AJTVVONXDKYCKE-VIFPVBQESA-N 1 0 222.336 1.265 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1nccs1 ZINC000161781594 538552904 /nfs/dbraw/zinc/55/29/04/538552904.db2.gz NELPCWOPCOUBNV-CBAPKCEASA-N 1 0 200.307 1.552 10 0 BDAERO C[NH+](C)CCCn1cc(Cl)c(N)n1 ZINC000125800534 538525870 /nfs/dbraw/zinc/52/58/70/538525870.db2.gz DGPDNPMYCINRPL-UHFFFAOYSA-N 1 0 202.689 1.070 10 0 BDAERO C[C@H]1C[NH2+]CC[C@H]1CNC(=O)C1CCC1 ZINC000129788576 538575911 /nfs/dbraw/zinc/57/59/11/538575911.db2.gz QBLVVGDPQAGBQN-ONGXEEELSA-N 1 0 210.321 1.148 10 0 BDAERO CCOC(=O)C(=O)C[C@H]1CCC[C@H](C)[NH2+]1 ZINC000130313115 538591089 /nfs/dbraw/zinc/59/10/89/538591089.db2.gz YBXTWEBNOWIDKX-DTWKUNHWSA-N 1 0 213.277 1.039 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCN(CC)C1)[C@@H]1CCOC1 ZINC000389515645 356889329 /nfs/dbraw/zinc/88/93/29/356889329.db2.gz FYEGWIZDWLBBLA-AGIUHOORSA-N 1 0 226.364 1.485 10 0 BDAERO N[C@H]1C[NH2+]CC[C@@H]1c1cc(F)ccc1F ZINC000113262603 538721747 /nfs/dbraw/zinc/72/17/47/538721747.db2.gz KHTNUQUUIXYWKJ-KCJUWKMLSA-N 1 0 212.243 1.369 10 0 BDAERO CCOc1ccccc1[C@@H](C)[NH2+]CC(N)=O ZINC000021967716 357054723 /nfs/dbraw/zinc/05/47/23/357054723.db2.gz DQYDZTDRMZTAQO-SECBINFHSA-N 1 0 222.288 1.221 10 0 BDAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncnc2c1CCC2 ZINC000389706127 357016468 /nfs/dbraw/zinc/01/64/68/357016468.db2.gz NZSOWSPQLQAPPG-JOYOIKCWSA-N 1 0 232.331 1.375 10 0 BDAERO CCn1ccnc1CN=c1cc(C)o[nH]1 ZINC000389897704 357062957 /nfs/dbraw/zinc/06/29/57/357062957.db2.gz BAEAHFHLMNWXMX-UHFFFAOYSA-N 1 0 206.249 1.233 10 0 BDAERO Nc1ccc2[nH]c(CCCCCO)[nH+]c2c1 ZINC000026461978 357136076 /nfs/dbraw/zinc/13/60/76/357136076.db2.gz FILMEZCMSZJSQJ-UHFFFAOYSA-N 1 0 219.288 1.850 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC1(CC(C)C)CC1 ZINC000392057411 357138625 /nfs/dbraw/zinc/13/86/25/357138625.db2.gz YPVFOLPCJPKEHV-SNVBAGLBSA-N 1 0 212.337 1.537 10 0 BDAERO Cc1nsc(N[C@@](C)(C[NH3+])C(C)C)n1 ZINC000168755825 357220924 /nfs/dbraw/zinc/22/09/24/357220924.db2.gz IHEBSMAINAWNNS-VIFPVBQESA-N 1 0 214.338 1.632 10 0 BDAERO CC(C)OC[C@@H]1C[NH2+]CC(C)(C)CO1 ZINC000168783591 357232660 /nfs/dbraw/zinc/23/26/60/357232660.db2.gz MTWXDSZKPRAPTP-JTQLQIEISA-N 1 0 201.310 1.426 10 0 BDAERO CN1CCSC[C@@H]1[C@H]([NH3+])C(C)(C)C ZINC000300052947 357180909 /nfs/dbraw/zinc/18/09/09/357180909.db2.gz LQQWGSUQSARKGW-BDAKNGLRSA-N 1 0 202.367 1.407 10 0 BDAERO CC(C)(C)C[C@H](CO)[NH2+]CC(C)(C)O ZINC000393524520 357286423 /nfs/dbraw/zinc/28/64/23/357286423.db2.gz RISZLYXSUGAORP-SECBINFHSA-N 1 0 203.326 1.144 10 0 BDAERO CC(C)(C)C[C@H](CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000393527180 357286602 /nfs/dbraw/zinc/28/66/02/357286602.db2.gz TXLQRLARMPWSQT-MNOVXSKESA-N 1 0 231.380 1.780 10 0 BDAERO CO[C@@](C)(C[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000393376783 357308100 /nfs/dbraw/zinc/30/81/00/357308100.db2.gz MEJQDBGCVKEODF-UPJWGTAASA-N 1 0 227.348 1.695 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]1c1ccc(Br)cn1 ZINC000130093840 357279653 /nfs/dbraw/zinc/27/96/53/357279653.db2.gz HDPCXOWVRSQUIP-XPUUQOCRSA-N 1 0 227.105 1.906 10 0 BDAERO Cc1cnccc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000395391633 357437188 /nfs/dbraw/zinc/43/71/88/357437188.db2.gz WYCWPLCAXQQVJP-JQWIXIFHSA-N 1 0 205.305 1.169 10 0 BDAERO CCOC[C@H](C)N[C@H]1CCC[NH2+][C@H]1C ZINC000396540653 357481670 /nfs/dbraw/zinc/48/16/70/357481670.db2.gz AKZYWZJLUFVPMR-DCAQKATOSA-N 1 0 200.326 1.142 10 0 BDAERO CC(C)n1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cn1 ZINC000230702404 357573145 /nfs/dbraw/zinc/57/31/45/357573145.db2.gz MKBKJDGDYVZNOI-STQMWFEESA-N 1 0 237.347 1.715 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)o1 ZINC000231742961 357624087 /nfs/dbraw/zinc/62/40/87/357624087.db2.gz CVKPOHZXODLJRP-UWVGGRQHSA-N 1 0 237.303 1.302 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CO)n(C)n1 ZINC000231312170 357612440 /nfs/dbraw/zinc/61/24/40/357612440.db2.gz FWUBYJOCWFEYPY-DGCLKSJQSA-N 1 0 237.347 1.369 10 0 BDAERO C/C=C/C(=O)N1CC[C@@H](CC(C)C)[C@H]([NH3+])C1 ZINC000685939268 538886348 /nfs/dbraw/zinc/88/63/48/538886348.db2.gz PAWPFJIVQQTICV-RUULKOMLSA-N 1 0 224.348 1.784 10 0 BDAERO CC(C)CC(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685947258 538888740 /nfs/dbraw/zinc/88/87/40/538888740.db2.gz SSCWWFAGHGATKR-PWSUYJOCSA-N 1 0 210.321 1.291 10 0 BDAERO CC1(C(=O)NC2(C)CCC([NH3+])CC2)CC1 ZINC000685947973 538889496 /nfs/dbraw/zinc/88/94/96/538889496.db2.gz VNFLWGUDIYYOHH-UHFFFAOYSA-N 1 0 210.321 1.563 10 0 BDAERO CC(C)NC(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947996 538889828 /nfs/dbraw/zinc/88/98/28/538889828.db2.gz WIXWXRJYUKUBTF-UHFFFAOYSA-N 1 0 213.325 1.354 10 0 BDAERO CCCCS(=O)(=O)N1CCC[C@@]([NH3+])(CC)C1 ZINC000685948104 538890635 /nfs/dbraw/zinc/89/06/35/538890635.db2.gz XTQMVJUDKVNISH-NSHDSACASA-N 1 0 248.392 1.320 10 0 BDAERO CCCNC(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685949214 538892458 /nfs/dbraw/zinc/89/24/58/538892458.db2.gz MGTSYKHXXGKJHP-CMPLNLGQSA-N 1 0 225.336 1.370 10 0 BDAERO CC(C)NC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685949633 538892901 /nfs/dbraw/zinc/89/29/01/538892901.db2.gz VRDMUZUTAUBDCB-ZYHUDNBSSA-N 1 0 225.336 1.450 10 0 BDAERO CC[C@@H]1CN([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951178 538894529 /nfs/dbraw/zinc/89/45/29/538894529.db2.gz OUYJTOLOOPBFPT-XQHKEYJVSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](C)C1[N@@H+]1CCCO[C@H](C)C1 ZINC000685951793 538894974 /nfs/dbraw/zinc/89/49/74/538894974.db2.gz YPAMEBWHTJDONY-SDDRHHMPSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CC[C@@H](F)C1 ZINC000685951445 538895363 /nfs/dbraw/zinc/89/53/63/538895363.db2.gz UPESPTKIXYWYQG-YTWAJWBKSA-N 1 0 200.301 1.274 10 0 BDAERO C[C@H]1CCC[C@H](C[N@@H+]2CCCN(C)C(=O)C2)C1 ZINC000191124733 357751705 /nfs/dbraw/zinc/75/17/05/357751705.db2.gz DSUUIUVIBXARDL-STQMWFEESA-N 1 0 238.375 1.977 10 0 BDAERO CC(C)=CC[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000192318556 357829591 /nfs/dbraw/zinc/82/95/91/357829591.db2.gz IAQNETOSHODEGP-ZDUSSCGKSA-N 1 0 248.374 1.945 10 0 BDAERO CC(C)=CC[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000192341875 357829595 /nfs/dbraw/zinc/82/95/95/357829595.db2.gz HCFYDDZBKZXTBJ-LBPRGKRZSA-N 1 0 241.331 1.464 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000235355148 357866753 /nfs/dbraw/zinc/86/67/53/357866753.db2.gz VSZFKQDDCKEEEG-ZWNOBZJWSA-N 1 0 247.342 1.172 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000193247195 357871346 /nfs/dbraw/zinc/87/13/46/357871346.db2.gz PIGGUQPTJBZEES-RWMBFGLXSA-N 1 0 245.363 1.273 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccno3)C[C@H]2C1 ZINC000398716002 357889522 /nfs/dbraw/zinc/88/95/22/357889522.db2.gz FPPKPYHOAYXHJR-GMTAPVOTSA-N 1 0 222.288 1.267 10 0 BDAERO CC(C)[NH2+]CCN1CCO[C@H](c2ccco2)C1 ZINC000193458635 357928242 /nfs/dbraw/zinc/92/82/42/357928242.db2.gz PLWRJPPSJHLRIY-ZDUSSCGKSA-N 1 0 238.331 1.651 10 0 BDAERO C[C@H](NC[C@H](O)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386532605 357931043 /nfs/dbraw/zinc/93/10/43/357931043.db2.gz AXHSHZFOCOEUEI-YIZRAAEISA-N 1 0 240.269 1.030 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)C[C@H]2C)O1 ZINC000639938679 357944642 /nfs/dbraw/zinc/94/46/42/357944642.db2.gz IITCOOFNHNOMBR-DDHJBXDOSA-N 1 0 213.321 1.399 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC[C@H]1CCCCO1 ZINC000639939020 357945374 /nfs/dbraw/zinc/94/53/74/357945374.db2.gz UNKYPQKPKGLMJX-JHJVBQTASA-N 1 0 227.348 1.791 10 0 BDAERO COc1cccnc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000160300711 357972203 /nfs/dbraw/zinc/97/22/03/357972203.db2.gz CJZKVVQLDQRXLX-ZJUUUORDSA-N 1 0 221.304 1.264 10 0 BDAERO COc1cccnc1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000160299725 357972235 /nfs/dbraw/zinc/97/22/35/357972235.db2.gz FUTDVDKJMHYLDJ-VHSXEESVSA-N 1 0 221.304 1.264 10 0 BDAERO COc1cccnc1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000160300514 357972312 /nfs/dbraw/zinc/97/23/12/357972312.db2.gz CJZKVVQLDQRXLX-UWVGGRQHSA-N 1 0 221.304 1.264 10 0 BDAERO CC[C@H](C)[N@H+](C)CCNCc1ccnc(C)n1 ZINC000217901647 134251096 /nfs/dbraw/zinc/25/10/96/134251096.db2.gz XUXUWVVMPHLROV-NSHDSACASA-N 1 0 236.363 1.605 10 0 BDAERO O=C(C[NH2+]C1CC1)N[C@H]1CCCc2ccccc21 ZINC000037386756 358079307 /nfs/dbraw/zinc/07/93/07/358079307.db2.gz XHHYSQQRXFWOBV-AWEZNQCLSA-N 1 0 244.338 1.932 10 0 BDAERO CCOc1nccnc1N1C[C@H](C[NH3+])C[C@H]1C ZINC000584581173 358095192 /nfs/dbraw/zinc/09/51/92/358095192.db2.gz BWMYXEFPRYJBAG-ZJUUUORDSA-N 1 0 236.319 1.049 10 0 BDAERO Cc1nc(C[C@H]2CCC[N@H+](CCCO)C2)no1 ZINC000171503570 134258914 /nfs/dbraw/zinc/25/89/14/134258914.db2.gz HNNGJQTWQFWBTL-LLVKDONJSA-N 1 0 239.319 1.015 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NC[C@@H]([NH3+])c2ccccc2)O1 ZINC000222401209 358174075 /nfs/dbraw/zinc/17/40/75/358174075.db2.gz PULNEVZHWCLDEO-RAIGVLPGSA-N 1 0 248.326 1.370 10 0 BDAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncnc2[nH]ccc21 ZINC000584781804 358176997 /nfs/dbraw/zinc/17/69/97/358176997.db2.gz QWHFQMRGALLIRN-SFYZADRCSA-N 1 0 219.292 1.496 10 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10 0 BDAERO C[NH2+]Cc1cc(Cl)c(N(C)C)nc1C ZINC000306434818 359934221 /nfs/dbraw/zinc/93/42/21/359934221.db2.gz KOVNZCXMRKKTSR-UHFFFAOYSA-N 1 0 213.712 1.829 10 0 BDAERO CCOCCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000088077827 359935047 /nfs/dbraw/zinc/93/50/47/359935047.db2.gz HNAVBMUXSUPUSV-KBPBESRZSA-N 1 0 240.391 1.972 10 0 BDAERO COCC[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000306437001 359945412 /nfs/dbraw/zinc/94/54/12/359945412.db2.gz DZNXZWIOUZCJJU-SECBINFHSA-N 1 0 232.324 1.136 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@H]1Nc1ncnc2nc[nH]c21 ZINC000089108393 359990443 /nfs/dbraw/zinc/99/04/43/359990443.db2.gz YQQBTZYXZPTHSD-RKDXNWHRSA-N 1 0 246.318 1.282 10 0 BDAERO COCCN(C)CC[NH2+]CC1CCC(C)CC1 ZINC000089577059 360027208 /nfs/dbraw/zinc/02/72/08/360027208.db2.gz LWXMURNMSSMUJR-UHFFFAOYSA-N 1 0 242.407 1.981 10 0 BDAERO O=C(Cc1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000169281341 360046004 /nfs/dbraw/zinc/04/60/04/360046004.db2.gz OWRSSOPEYDCXDM-SNVBAGLBSA-N 1 0 207.248 1.547 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000089160497 359995713 /nfs/dbraw/zinc/99/57/13/359995713.db2.gz PXDLEOAUNLCMCA-ZFWWWQNUSA-N 1 0 231.339 1.904 10 0 BDAERO CS[C@H]1C[NH2+]C[C@H]1N1CC(C)(C)C1 ZINC000306459080 360055880 /nfs/dbraw/zinc/05/58/80/360055880.db2.gz DMHVGZBEHZBNRL-BDAKNGLRSA-N 1 0 200.351 1.032 10 0 BDAERO CCn1cncc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000090173723 360062085 /nfs/dbraw/zinc/06/20/85/360062085.db2.gz RYYLOBKPRJHVMF-DGCLKSJQSA-N 1 0 237.347 1.544 10 0 BDAERO NC(=[NH2+])c1ccc(N)c(C(F)(F)F)c1 ZINC000306464211 360076072 /nfs/dbraw/zinc/07/60/72/360076072.db2.gz JAYYVPLHIJPCDE-UHFFFAOYSA-N 1 0 203.167 1.572 10 0 BDAERO NC(=O)c1ccc(NCC[NH+]2CCCC2)cc1 ZINC000041570644 181299949 /nfs/dbraw/zinc/29/99/49/181299949.db2.gz GGMWHTKHBSLBAU-UHFFFAOYSA-N 1 0 233.315 1.293 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CCCC(=O)OC ZINC000092632095 360186748 /nfs/dbraw/zinc/18/67/48/360186748.db2.gz LRTFIIXEVKXFOV-LBPRGKRZSA-N 1 0 242.363 1.356 10 0 BDAERO C1CC1[NH+]1CCC2(CC1)NCCCS2 ZINC000306493520 360212198 /nfs/dbraw/zinc/21/21/98/360212198.db2.gz SBMNWOWODMZRMI-UHFFFAOYSA-N 1 0 212.362 1.667 10 0 BDAERO COC1CN(CC[NH2+]Cc2ccccc2)C1 ZINC000306492592 360220070 /nfs/dbraw/zinc/22/00/70/360220070.db2.gz QIZHJSWTDAAIRM-UHFFFAOYSA-N 1 0 220.316 1.107 10 0 BDAERO CC(C)[C@H]1C[NH2+]CC[C@@H]1c1csnn1 ZINC000306504457 360302964 /nfs/dbraw/zinc/30/29/64/360302964.db2.gz ZDPSRTXIZLWOQY-DTWKUNHWSA-N 1 0 211.334 1.887 10 0 BDAERO NC(=O)c1ccc(N[C@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000063214834 181300442 /nfs/dbraw/zinc/30/04/42/181300442.db2.gz LCCCBXHQOAZJAY-QWRGUYRKSA-N 1 0 248.330 1.252 10 0 BDAERO CC[C@H]1CN([C@@H]2CCSC2)CC[NH2+]1 ZINC000231423861 360336110 /nfs/dbraw/zinc/33/61/10/360336110.db2.gz DWCUJPTZGQXDAJ-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO NC(=O)c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000061980113 181300603 /nfs/dbraw/zinc/30/06/03/181300603.db2.gz WXCJDQLUONOLKP-LBPRGKRZSA-N 1 0 245.326 1.434 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccncc2)C1 ZINC000309445684 491148445 /nfs/dbraw/zinc/14/84/45/491148445.db2.gz JRSXBEYYCYKATH-WCQYABFASA-N 1 0 219.332 1.511 10 0 BDAERO CCc1nsc(N[C@H]2C[N@H+](CC)C[C@H]2C)n1 ZINC000309448232 491148455 /nfs/dbraw/zinc/14/84/55/491148455.db2.gz KJQITCHIQYSLTB-BDAKNGLRSA-N 1 0 240.376 1.853 10 0 BDAERO CC[C@H](C)[C@@H](C)[C@@]1([NH3+])CCS(=O)(=O)C1 ZINC000306536339 360395984 /nfs/dbraw/zinc/39/59/84/360395984.db2.gz KIZXOPDJAPOCGJ-IVZWLZJFSA-N 1 0 219.350 1.185 10 0 BDAERO Cc1cc(C(=O)[C@@H](C)[C@@H](C)[NH3+])cnc1C ZINC000306563587 360441800 /nfs/dbraw/zinc/44/18/00/360441800.db2.gz VQKCKZVNXLEQFQ-DTWKUNHWSA-N 1 0 206.289 1.864 10 0 BDAERO O=[S@](CC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000306540014 360405579 /nfs/dbraw/zinc/40/55/79/360405579.db2.gz VPZLOKMFKCGOTE-ZWNOBZJWSA-N 1 0 201.335 1.287 10 0 BDAERO NC(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038050709 181301126 /nfs/dbraw/zinc/30/11/26/181301126.db2.gz SDEJWYBKLMSSFK-NEPJUHHUSA-N 1 0 233.315 1.467 10 0 BDAERO C[C@@H]1CSCC[N@@H+]1C[C@@H]1CCCC1=O ZINC000069761516 360421542 /nfs/dbraw/zinc/42/15/42/360421542.db2.gz AVYZSPUINGBXOR-ZJUUUORDSA-N 1 0 213.346 1.793 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@H]1C(=O)Cc1cncs1 ZINC000306553979 360426812 /nfs/dbraw/zinc/42/68/12/360426812.db2.gz LEBNPXDAWFJHDF-SCZZXKLOSA-N 1 0 224.329 1.500 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCF ZINC000306560385 360434824 /nfs/dbraw/zinc/43/48/24/360434824.db2.gz MHTOXXAGXNDOJX-WDEREUQCSA-N 1 0 200.301 1.515 10 0 BDAERO C[NH2+]Cc1cn([C@H]2CSC[C@@H]2C)cn1 ZINC000306578714 360468785 /nfs/dbraw/zinc/46/87/85/360468785.db2.gz MKNVOCDUFWQDGJ-WPRPVWTQSA-N 1 0 211.334 1.527 10 0 BDAERO COC[C@@H](C)C[NH2+][C@H]1CCc2nccn2C1 ZINC000309470846 491149209 /nfs/dbraw/zinc/14/92/09/491149209.db2.gz QQVCCDYPHXHURV-QWRGUYRKSA-N 1 0 223.320 1.070 10 0 BDAERO C[C@H]1CSC[C@@H]1NC1=[NH+]CCS1 ZINC000306597566 360519959 /nfs/dbraw/zinc/51/99/59/360519959.db2.gz ZQAVPKRVTRMJKH-BQBZGAKWSA-N 1 0 202.348 1.430 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCS1 ZINC000226291315 360530349 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/nfs/dbraw/zinc/07/86/20/361078620.db2.gz KHXCIXCZPDMEHV-UHFFFAOYSA-N 1 0 204.258 1.605 10 0 BDAERO [NH3+]C1(C(=O)N2C[C@@H]3CCCC[C@H]3C2)CCCC1 ZINC000237905746 181323751 /nfs/dbraw/zinc/32/37/51/181323751.db2.gz VMDSTQVCPYHSEF-RYUDHWBXSA-N 1 0 236.359 1.907 10 0 BDAERO CCOC(=O)Cc1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000036427805 361131630 /nfs/dbraw/zinc/13/16/30/361131630.db2.gz WWQPCCHDVAFCQN-UHFFFAOYSA-N 1 0 246.310 1.775 10 0 BDAERO Nc1cc[nH+]cc1C[C@@H](O)C(F)(F)F ZINC000069941429 361163113 /nfs/dbraw/zinc/16/31/13/361163113.db2.gz GVLHKELVSURRIH-SSDOTTSWSA-N 1 0 206.167 1.130 10 0 BDAERO C[C@@H](C[NH+]1CCCC1)Nc1nncs1 ZINC000069966277 361239108 /nfs/dbraw/zinc/23/91/08/361239108.db2.gz FRJDQDVZBCRLJQ-QMMMGPOBSA-N 1 0 212.322 1.434 10 0 BDAERO CN([C@@H]1CC[N@H+](C)C1)[C@H]1CCCCC1=O ZINC000306623127 361244011 /nfs/dbraw/zinc/24/40/11/361244011.db2.gz DFDDHXHZDWFARY-MNOVXSKESA-N 1 0 210.321 1.134 10 0 BDAERO CO[C@@H]1CCCC[C@@H]1[NH2+]C1CSC1 ZINC000306625171 361285953 /nfs/dbraw/zinc/28/59/53/361285953.db2.gz GGVLSPLSYKBABP-VHSXEESVSA-N 1 0 201.335 1.649 10 0 BDAERO CO[C@H]1CCCC[C@H]1[NH2+]C1CSC1 ZINC000306625172 361286119 /nfs/dbraw/zinc/28/61/19/361286119.db2.gz GGVLSPLSYKBABP-ZJUUUORDSA-N 1 0 201.335 1.649 10 0 BDAERO [NH3+]C1CN(C(=O)c2csc(Cl)c2)C1 ZINC000306626659 361292820 /nfs/dbraw/zinc/29/28/20/361292820.db2.gz ILWUFYSUCFPPNP-UHFFFAOYSA-N 1 0 216.693 1.185 10 0 BDAERO CC[C@H](C)[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000181124687 366787584 /nfs/dbraw/zinc/78/75/84/366787584.db2.gz VBSWJDZFYQOHER-QWHCGFSZSA-N 1 0 228.380 1.828 10 0 BDAERO [NH3+]C1(c2nc3cc[nH]cc-3n2)CCCC1 ZINC000070801462 181335120 /nfs/dbraw/zinc/33/51/20/181335120.db2.gz UWPCOKRKOTZVBR-UHFFFAOYSA-N 1 0 202.261 1.686 10 0 BDAERO CCN(Cc1ccoc1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000629600066 361491043 /nfs/dbraw/zinc/49/10/43/361491043.db2.gz QZUXCRFDPYZFKD-ZYHUDNBSSA-N 1 0 236.315 1.484 10 0 BDAERO C[C@H](NC(=O)C[NH3+])c1cc(F)ccc1F ZINC000037007644 361591524 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[NH3+]CCCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000082790952 181381095 /nfs/dbraw/zinc/38/10/95/181381095.db2.gz JVSAKZBLDJULMP-UHFFFAOYSA-N 1 0 234.299 1.092 10 0 BDAERO [NH3+]CCCNc1ncnc2ccsc21 ZINC000037382692 181382948 /nfs/dbraw/zinc/38/29/48/181382948.db2.gz LUTRSIZFYRPIMA-UHFFFAOYSA-N 1 0 208.290 1.452 10 0 BDAERO [NH3+]CCCNc1ccc2ccccc2n1 ZINC000019425542 181383784 /nfs/dbraw/zinc/38/37/84/181383784.db2.gz ZYOUCLPZGSZZCP-UHFFFAOYSA-N 1 0 201.273 1.996 10 0 BDAERO [NH3+]CCCNc1c(F)c(F)nc(F)c1F ZINC000004539285 181383853 /nfs/dbraw/zinc/38/38/53/181383853.db2.gz OUMNTBZHXXAOSP-UHFFFAOYSA-N 1 0 223.173 1.399 10 0 BDAERO [NH3+]CCCNc1ncccc1C(F)(F)F ZINC000019484490 181383907 /nfs/dbraw/zinc/38/39/07/181383907.db2.gz ZAVCZFOJIZVVIY-UHFFFAOYSA-N 1 0 219.210 1.861 10 0 BDAERO [NH3+]CCCNc1nccc2ccccc21 ZINC000082765863 181384097 /nfs/dbraw/zinc/38/40/97/181384097.db2.gz WNUGQJAGOCCXMS-UHFFFAOYSA-N 1 0 201.273 1.996 10 0 BDAERO [NH3+]CCCS(=O)(=O)c1ccccc1Cl ZINC000019439794 181384666 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C[C@H](CO)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253103516 541454061 /nfs/dbraw/zinc/45/40/61/541454061.db2.gz YSWRCDFZRMLYLK-REWJHTLYSA-N 1 0 241.375 1.630 10 0 BDAERO CCC(CC)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000575850754 365382496 /nfs/dbraw/zinc/38/24/96/365382496.db2.gz XCXIWOOOAAINNI-MRVWCRGKSA-N 1 0 242.407 1.761 10 0 BDAERO CC(=O)c1cnc([C@H]2CCC[NH2+]C2)s1 ZINC000258193647 541486970 /nfs/dbraw/zinc/48/69/70/541486970.db2.gz SRZRRLDULVJGNK-QMMMGPOBSA-N 1 0 210.302 1.813 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@H]1c1cccc(C2CC2)c1 ZINC000685965918 541498123 /nfs/dbraw/zinc/49/81/23/541498123.db2.gz YTIANQNGSSCAPK-UONOGXRCSA-N 1 0 216.328 1.968 10 0 BDAERO CCOC(=O)[C@@H]1Cn2cc(C)[nH+]c2N[C@H]1C ZINC000233991720 541511383 /nfs/dbraw/zinc/51/13/83/541511383.db2.gz VDGOLLOSMSEKBR-DTWKUNHWSA-N 1 0 223.276 1.185 10 0 BDAERO CC[C@H]1[C@H](C)CNc2nc(CCC[NH3+])nn21 ZINC000234083017 541511589 /nfs/dbraw/zinc/51/15/89/541511589.db2.gz LCVJGMMIIIVKQQ-BDAKNGLRSA-N 1 0 223.324 1.182 10 0 BDAERO CCOC(=O)[C@H]1CNc2[nH+]ccn2[C@H]1C ZINC000233693635 541509577 /nfs/dbraw/zinc/50/95/77/541509577.db2.gz WBOOMNFCUJRAJU-YUMQZZPRSA-N 1 0 209.249 1.049 10 0 BDAERO CC[C@](C)(O)CN[C@H](C)c1nnc(C)o1 ZINC000380308260 367175099 /nfs/dbraw/zinc/17/50/99/367175099.db2.gz GHAOWMCGNFGOQJ-XCBNKYQSSA-N 1 0 213.281 1.190 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC1CCC(C)(C)CC1 ZINC000381161249 367357793 /nfs/dbraw/zinc/35/77/93/367357793.db2.gz RISUWZXIGVICAR-SNVBAGLBSA-N 1 0 226.364 1.927 10 0 BDAERO C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000581359844 367387462 /nfs/dbraw/zinc/38/74/62/367387462.db2.gz VOVLCRASMUYJKG-GXSJLCMTSA-N 1 0 225.336 1.226 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2ccnc3cccnc32)C1 ZINC000382461741 367528516 /nfs/dbraw/zinc/52/85/16/367528516.db2.gz WPYFQKAGTNJMHC-QWRGUYRKSA-N 1 0 242.326 1.591 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000383249827 367609205 /nfs/dbraw/zinc/60/92/05/367609205.db2.gz WFMIGQCHIBWIIL-NOOOWODRSA-N 1 0 224.348 1.761 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]Cc1occc1C ZINC000383890844 367657999 /nfs/dbraw/zinc/65/79/99/367657999.db2.gz LWWLIOCPLXTVTP-LBPRGKRZSA-N 1 0 241.331 1.855 10 0 BDAERO Cc1nnsc1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000384186568 367674414 /nfs/dbraw/zinc/67/44/14/367674414.db2.gz SPLMTPBSADJCRM-SCZZXKLOSA-N 1 0 240.376 1.467 10 0 BDAERO C[C@H](CCCO)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000384360018 367686542 /nfs/dbraw/zinc/68/65/42/367686542.db2.gz HMQSVROVASUWGA-LPWJVIDDSA-N 1 0 241.375 1.798 10 0 BDAERO C[C@H](CCCO)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000384360234 367687222 /nfs/dbraw/zinc/68/72/22/367687222.db2.gz HMQSVROVASUWGA-YVECIDJPSA-N 1 0 241.375 1.798 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000384608653 367707624 /nfs/dbraw/zinc/70/76/24/367707624.db2.gz OQMWVJHORRKAOV-ZDEQEGDKSA-N 1 0 226.364 1.626 10 0 BDAERO CCSCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384729823 367721513 /nfs/dbraw/zinc/72/15/13/367721513.db2.gz JEYNSJMXKRKBKY-VHSXEESVSA-N 1 0 203.351 1.585 10 0 BDAERO CN(c1ncnc2ccccc21)C1CC([NH3+])C1 ZINC000384759994 367727044 /nfs/dbraw/zinc/72/70/44/367727044.db2.gz PXPSMDDDEHBSCM-UHFFFAOYSA-N 1 0 228.299 1.556 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2ccncc2C)C1 ZINC000384877265 367749141 /nfs/dbraw/zinc/74/91/41/367749141.db2.gz SOEGRNODPHMVCY-CQSZACIVSA-N 1 0 233.359 1.964 10 0 BDAERO [NH3+]C[C@@H]1CCCN(c2nc3cccnc3[nH]2)C1 ZINC000095072512 181429524 /nfs/dbraw/zinc/42/95/24/181429524.db2.gz ITADPOFIIMWIEQ-VIFPVBQESA-N 1 0 231.303 1.085 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)[C@@H](C)O1 ZINC000384896669 367753567 /nfs/dbraw/zinc/75/35/67/367753567.db2.gz MJUOUQPJSUOIAT-GCHJQGSQSA-N 1 0 213.321 1.303 10 0 BDAERO CCOCCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384924429 367758164 /nfs/dbraw/zinc/75/81/64/367758164.db2.gz RPFPWEKAWIRYQP-WDEREUQCSA-N 1 0 201.310 1.258 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000384941250 367761373 /nfs/dbraw/zinc/76/13/73/367761373.db2.gz UISAXZRYEWIECQ-XBFCOCLRSA-N 1 0 241.375 1.773 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccnc2cccnc21 ZINC000385105368 367792160 /nfs/dbraw/zinc/79/21/60/367792160.db2.gz QPIPMYZOTCRKOH-ZJUUUORDSA-N 1 0 228.299 1.556 10 0 BDAERO OC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)C1CCCC1 ZINC000386074844 367909650 /nfs/dbraw/zinc/90/96/50/367909650.db2.gz BBGMUOZFXAGFGW-FRRDWIJNSA-N 1 0 227.348 1.431 10 0 BDAERO CCNC(=[NH2+])[C@@H]1SCCS[C@H]1C ZINC000252721741 367894558 /nfs/dbraw/zinc/89/45/58/367894558.db2.gz OOGTZMAYLUAIBY-NKWVEPMBSA-N 1 0 204.364 1.810 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H](CO)C1CCCCC1 ZINC000386273566 367943729 /nfs/dbraw/zinc/94/37/29/367943729.db2.gz PJCJEOJCHJBPCW-XBFCOCLRSA-N 1 0 241.375 1.942 10 0 BDAERO Cc1cnc(N[C@@H]2CCC[NH2+][C@H]2C)nc1C ZINC000386462776 367977973 /nfs/dbraw/zinc/97/79/73/367977973.db2.gz NNRYHWPQUMWHEE-WDEREUQCSA-N 1 0 220.320 1.646 10 0 BDAERO Cc1cnc(N2CC[C@H]([NH3+])[C@H](C)C2)nc1C ZINC000386489172 367979826 /nfs/dbraw/zinc/97/98/26/367979826.db2.gz RWTKDNZZJAHBSW-KOLCDFICSA-N 1 0 220.320 1.267 10 0 BDAERO Cc1cnc(N2CC[C@@H]([NH3+])[C@H]2C)nc1C ZINC000386492893 367980742 /nfs/dbraw/zinc/98/07/42/367980742.db2.gz SNMYFRFQYXEQHP-NXEZZACHSA-N 1 0 206.293 1.019 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(CC(F)F)C1CC1 ZINC000387102676 368050704 /nfs/dbraw/zinc/05/07/04/368050704.db2.gz XNLPWFOJGYJMMU-SCZZXKLOSA-N 1 0 246.301 1.631 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C)[C@H]1c1cncs1 ZINC000252775497 368061593 /nfs/dbraw/zinc/06/15/93/368061593.db2.gz XFVRBMMWRQSIIZ-WCBMZHEXSA-N 1 0 211.334 1.355 10 0 BDAERO CCO[C@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000581954963 368020529 /nfs/dbraw/zinc/02/05/29/368020529.db2.gz QNRKZYNNMSHQNN-XQHKEYJVSA-N 1 0 243.347 1.074 10 0 BDAERO C[C@@H]1C[NH2+][C@H]([C@H]2CCOC2)CSC1 ZINC000252832152 368162247 /nfs/dbraw/zinc/16/22/47/368162247.db2.gz NKBPXSPTBPXCOS-UTLUCORTSA-N 1 0 201.335 1.364 10 0 BDAERO C[C@H](c1cscn1)N1CC[NH2+][C@H](C)C1 ZINC000252933481 368169372 /nfs/dbraw/zinc/16/93/72/368169372.db2.gz CYWVAUMDDUGNRN-RKDXNWHRSA-N 1 0 211.334 1.498 10 0 BDAERO CC[C@@H]1CS[C@](C)([C@H]2CCOC2)[NH2+]1 ZINC000252970278 368174086 /nfs/dbraw/zinc/17/40/86/368174086.db2.gz ZONKTQPGLNTUGU-IVZWLZJFSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@H]1CN([C@H]2CCC[NH2+]C2)CCS1 ZINC000252982253 368177005 /nfs/dbraw/zinc/17/70/05/368177005.db2.gz VOIWKBHMJVSRJW-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000215009476 368139100 /nfs/dbraw/zinc/13/91/00/368139100.db2.gz STKYNYRFLLQBPT-YGRLFVJLSA-N 1 0 209.314 1.404 10 0 BDAERO C[C@H]1CC=C(C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000038417759 368326455 /nfs/dbraw/zinc/32/64/55/368326455.db2.gz BGNMLZYHZSAAQJ-NSHDSACASA-N 1 0 230.311 1.693 10 0 BDAERO O=[N+]([O-])c1cccc([C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC000144632534 368393926 /nfs/dbraw/zinc/39/39/26/368393926.db2.gz DPELSNFBACLHNP-ADEWGFFLSA-N 1 0 218.256 1.918 10 0 BDAERO C[C@@H]1[C@H](C)SCCN1[C@H]1CC[NH2+]C1 ZINC000253062643 368443012 /nfs/dbraw/zinc/44/30/12/368443012.db2.gz FZCORUICCUJOBP-UTLUCORTSA-N 1 0 200.351 1.174 10 0 BDAERO CC(C)OC[C@H](O)C[NH2+]C[C@@H](C)C(C)C ZINC000081057805 368571646 /nfs/dbraw/zinc/57/16/46/368571646.db2.gz XCHMFVMSPNAZPK-VXGBXAGGSA-N 1 0 217.353 1.654 10 0 BDAERO CC(C)N1C(=[NH2+])NC[C@H]1c1nccs1 ZINC000161836484 368653743 /nfs/dbraw/zinc/65/37/43/368653743.db2.gz QZUDUAKAMVYHTF-ZETCQYMHSA-N 1 0 210.306 1.223 10 0 BDAERO C[C@H]1CN(c2ncnc3ccccc32)[C@@H](C)C[NH2+]1 ZINC000086471407 368881433 /nfs/dbraw/zinc/88/14/33/368881433.db2.gz GHGUDXLUWJNPHP-QWRGUYRKSA-N 1 0 242.326 1.816 10 0 BDAERO NC(=O)O[C@H](C[NH3+])c1ccccc1Cl ZINC000113410297 368891637 /nfs/dbraw/zinc/89/16/37/368891637.db2.gz INJZLYLBSBRSCQ-MRVPVSSYSA-N 1 0 214.652 1.435 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1ccc2cc[nH]c2c1 ZINC000111289149 368853600 /nfs/dbraw/zinc/85/36/00/368853600.db2.gz RYXPNAOLZGQYQS-SECBINFHSA-N 1 0 231.299 1.635 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCc2ccccc21 ZINC000111263524 368853662 /nfs/dbraw/zinc/85/36/62/368853662.db2.gz FBDOMGQUPJBVRV-DGCLKSJQSA-N 1 0 244.338 1.821 10 0 BDAERO COc1ccc2c(c1OC)/C(=C/C[NH3+])CC2 ZINC000138100322 369005347 /nfs/dbraw/zinc/00/53/47/369005347.db2.gz DCIPTTHWMINRRZ-JXMROGBWSA-N 1 0 219.284 1.992 10 0 BDAERO CN(Cc1cccc(O)c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091546369 369014010 /nfs/dbraw/zinc/01/40/10/369014010.db2.gz WWZIHQVOPPCOOG-NWDGAFQWSA-N 1 0 248.326 1.478 10 0 BDAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000623766550 369030366 /nfs/dbraw/zinc/03/03/66/369030366.db2.gz ICBBTAUTCASMES-PYJNHQTQSA-N 1 0 239.359 1.718 10 0 BDAERO Nc1nc(N)c2c([nH+]1)CC[C@@H](c1ccccc1)C2 ZINC000005974680 369031072 /nfs/dbraw/zinc/03/10/72/369031072.db2.gz LJOIZEJKRJKAPI-SNVBAGLBSA-N 1 0 240.310 1.914 10 0 BDAERO [NH3+]C[C@@]1(Cc2cccc(F)c2F)CCOC1 ZINC000054637668 181441749 /nfs/dbraw/zinc/44/17/49/181441749.db2.gz DKTIGPUZERYBOE-LBPRGKRZSA-N 1 0 227.254 1.873 10 0 BDAERO CC(C)COCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838667 369120246 /nfs/dbraw/zinc/12/02/46/369120246.db2.gz SMWIZYVRIVSOGD-RYUDHWBXSA-N 1 0 214.353 1.186 10 0 BDAERO CC[C@@H]1CCCN1c1ncc(C[NH3+])s1 ZINC000054863869 369106061 /nfs/dbraw/zinc/10/60/61/369106061.db2.gz HGLIFWGHLLNDSD-MRVPVSSYSA-N 1 0 211.334 1.981 10 0 BDAERO [NH3+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000022222221 181448925 /nfs/dbraw/zinc/44/89/25/181448925.db2.gz CVVJECDYHAFVIU-ZETCQYMHSA-N 1 0 235.205 1.404 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ncco1 ZINC000616692420 369114245 /nfs/dbraw/zinc/11/42/45/369114245.db2.gz QYKYRWBJLCJYJC-CYBMUJFWSA-N 1 0 243.310 1.581 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1c[nH]cn1 ZINC000616692421 369114544 /nfs/dbraw/zinc/11/45/44/369114544.db2.gz QZLXHYPXSGBAFP-CQSZACIVSA-N 1 0 242.326 1.316 10 0 BDAERO [NH3+]C[C@H](O)c1ccc(-n2cccc2)cc1 ZINC000040539413 181451192 /nfs/dbraw/zinc/45/11/92/181451192.db2.gz PSTLOLPAPRWTGN-LBPRGKRZSA-N 1 0 202.257 1.469 10 0 BDAERO [NH3+]C[C@H]1Cc2c(Cl)cccc2[C@H](O)C1 ZINC000057939184 181467868 /nfs/dbraw/zinc/46/78/68/181467868.db2.gz GPYIIRBUJLYBHM-WRWORJQWSA-N 1 0 211.692 1.895 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCC[C@H]1CCOC1 ZINC000400686706 369352238 /nfs/dbraw/zinc/35/22/38/369352238.db2.gz XVRRHCLRLFJSNM-NWDGAFQWSA-N 1 0 229.364 1.800 10 0 BDAERO CCN(CC)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000108652515 369401705 /nfs/dbraw/zinc/40/17/05/369401705.db2.gz VHYALQWFAIIBGW-LLVKDONJSA-N 1 0 227.352 1.332 10 0 BDAERO CCC(CC)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404038659 369417535 /nfs/dbraw/zinc/41/75/35/369417535.db2.gz ZNKXUGSRJQFQRS-NEPJUHHUSA-N 1 0 240.347 1.012 10 0 BDAERO [NH3+]Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000051989850 181481387 /nfs/dbraw/zinc/48/13/87/181481387.db2.gz ZEECKSNHDNXMLH-QWHCGFSZSA-N 1 0 248.326 1.179 10 0 BDAERO [NH3+]Cc1ccc(Br)nc1Cl ZINC000095761421 181481018 /nfs/dbraw/zinc/48/10/18/181481018.db2.gz GQYYRNGHDVXZSK-UHFFFAOYSA-N 1 0 221.485 1.956 10 0 BDAERO [NH3+]Cc1cccc(CN2CCOC2=O)c1 ZINC000019841170 181487632 /nfs/dbraw/zinc/48/76/32/181487632.db2.gz RJSHLBWLLPYXRF-UHFFFAOYSA-N 1 0 206.245 1.098 10 0 BDAERO C[N@H+]([C@H]1CCSC1)[C@@H]1CCC[NH2+]CC1 ZINC000225276218 369567186 /nfs/dbraw/zinc/56/71/86/369567186.db2.gz JMICNBQGJDJURM-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO NC(=O)c1ccc(Oc2ncccc2C[NH3+])cc1 ZINC000020296617 181490401 /nfs/dbraw/zinc/49/04/01/181490401.db2.gz LXKQNLFKUNNDNY-UHFFFAOYSA-N 1 0 243.266 1.432 10 0 BDAERO [NH3+]Cc1csc(-c2ccc[nH]c2=S)n1 ZINC000083352866 181495505 /nfs/dbraw/zinc/49/55/05/181495505.db2.gz PEFNCOZSEKOTSQ-UHFFFAOYSA-N 1 0 223.326 1.953 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCCC2CC2)C1 ZINC000158446810 326322610 /nfs/dbraw/zinc/32/26/10/326322610.db2.gz WZORDFSWLQMGSL-MNOVXSKESA-N 1 0 210.321 1.420 10 0 BDAERO C[C@H](CN1CCCCC1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000310203544 370321736 /nfs/dbraw/zinc/32/17/36/370321736.db2.gz CTWBGHGEHCGFHP-CHWSQXEVSA-N 1 0 242.407 1.857 10 0 BDAERO Cc1c(C[NH2+]CC2CC(C)C2)cnn1C ZINC000621384385 370328123 /nfs/dbraw/zinc/32/81/23/370328123.db2.gz FFQBOFAXXFIIHU-UHFFFAOYSA-N 1 0 207.321 1.864 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000113267022 370396923 /nfs/dbraw/zinc/39/69/23/370396923.db2.gz WRHKVQTZGLKNFB-HNNXBMFYSA-N 1 0 248.370 1.805 10 0 BDAERO c1cncc(COCC[C@@H]2CCOC23C[NH2+]C3)c1 ZINC000247846144 259545304 /nfs/dbraw/zinc/54/53/04/259545304.db2.gz MUOHYDAAOLFXJM-CYBMUJFWSA-N 1 0 248.326 1.367 10 0 BDAERO Cc1cc(CN2C[C@H](C)[C@H]([NH3+])C2)ccn1 ZINC000621776561 370524353 /nfs/dbraw/zinc/52/43/53/370524353.db2.gz ONLKCGPVGCIBDT-JOYOIKCWSA-N 1 0 205.305 1.169 10 0 BDAERO c1cc(CN(C[C@@H]2CCC[NH2+]2)C2CC2)n[nH]1 ZINC000328646200 371134827 /nfs/dbraw/zinc/13/48/27/371134827.db2.gz SMZVEZLCIJIBKR-JTQLQIEISA-N 1 0 220.320 1.126 10 0 BDAERO [NH3+][C@@H]1CC(=O)N(c2ccc(Cl)s2)C1 ZINC000077308618 181572276 /nfs/dbraw/zinc/57/22/76/181572276.db2.gz TWDISGOCPOTOCZ-RXMQYKEDSA-N 1 0 216.693 1.466 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cccc(F)c1 ZINC000038048919 181575232 /nfs/dbraw/zinc/57/52/32/181575232.db2.gz LYESNDLRPCERAA-NEPJUHHUSA-N 1 0 236.290 1.825 10 0 BDAERO [NH3+][C@@H]1CCCN(Cc2ccc3c(c2)OCO3)C1 ZINC000041027929 181579226 /nfs/dbraw/zinc/57/92/26/181579226.db2.gz MEHWJKPSUGTCIB-LLVKDONJSA-N 1 0 234.299 1.338 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)COc1ccccc1 ZINC000063171933 181582413 /nfs/dbraw/zinc/58/24/13/181582413.db2.gz NIMFGWUVMPECLT-NEPJUHHUSA-N 1 0 234.299 1.061 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCc3ccoc3)C[C@H]12 ZINC000248566825 181593660 /nfs/dbraw/zinc/59/36/60/181593660.db2.gz BWZWWJVANFVCRA-RWMBFGLXSA-N 1 0 248.326 1.408 10 0 BDAERO [NH3+][C@H](Cc1cccnc1)CC1CCOCC1 ZINC000060707621 181627518 /nfs/dbraw/zinc/62/75/18/181627518.db2.gz PXTNDZHUWNWDPF-ZDUSSCGKSA-N 1 0 220.316 1.768 10 0 BDAERO [NH3+][C@H](c1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000019971041 181632259 /nfs/dbraw/zinc/63/22/59/181632259.db2.gz PCGAGCBQNURHJA-CHWSQXEVSA-N 1 0 219.284 1.800 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)C1CCCC1 ZINC000038048892 181642105 /nfs/dbraw/zinc/64/21/05/181642105.db2.gz MXEYMUXGXVTNAJ-WDEREUQCSA-N 1 0 210.321 1.563 10 0 BDAERO [NH3+][C@H]1CCN(c2nsc3ccccc32)C1 ZINC000095072151 181653272 /nfs/dbraw/zinc/65/32/72/181653272.db2.gz XRIAQBTWWJWAGO-QMMMGPOBSA-N 1 0 219.313 1.834 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624235281 371423012 /nfs/dbraw/zinc/42/30/12/371423012.db2.gz HTHZPUFEJXEUQK-MMWGEVLESA-N 1 0 201.310 1.160 10 0 BDAERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624238607 371427177 /nfs/dbraw/zinc/42/71/77/371427177.db2.gz UVMSUTJMLPRRDU-WOPDTQHZSA-N 1 0 229.364 1.941 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1cn2ccsc2n1 ZINC000126801556 371550572 /nfs/dbraw/zinc/55/05/72/371550572.db2.gz WPTYGFVXCDIYBN-SECBINFHSA-N 1 0 209.318 1.922 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1cn2ccsc2n1 ZINC000126801801 371551221 /nfs/dbraw/zinc/55/12/21/371551221.db2.gz WPTYGFVXCDIYBN-VIFPVBQESA-N 1 0 209.318 1.922 10 0 BDAERO [NH3+]C[C@](O)(C1CC1)C(F)(F)Br ZINC000225661781 371563453 /nfs/dbraw/zinc/56/34/53/371563453.db2.gz REDIIVPFRMATLM-YFKPBYRVSA-N 1 0 230.052 1.074 10 0 BDAERO O[C@H]([C@@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225669047 371565864 /nfs/dbraw/zinc/56/58/64/371565864.db2.gz SBSPOVWJAMOWOZ-NTSWFWBYSA-N 1 0 244.079 1.477 10 0 BDAERO Brc1ccc(C=C2C[NH2+]C2)nc1 ZINC000161904497 371580521 /nfs/dbraw/zinc/58/05/21/371580521.db2.gz HOJJAQYPXCBSHH-UHFFFAOYSA-N 1 0 225.089 1.831 10 0 BDAERO Brc1ccc(C[C@H]2CC[NH2+]C2)nc1 ZINC000161993598 371599206 /nfs/dbraw/zinc/59/92/06/371599206.db2.gz YQXNONVLZRIPDD-MRVPVSSYSA-N 1 0 241.132 1.996 10 0 BDAERO Nc1cc[nH+]c(NCc2cncs2)c1 ZINC000131422083 371602759 /nfs/dbraw/zinc/60/27/59/371602759.db2.gz QPPAGJLLOLWOHN-UHFFFAOYSA-N 1 0 206.274 1.732 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)c1cccnc1 ZINC000226476591 371672940 /nfs/dbraw/zinc/67/29/40/371672940.db2.gz YRYOBBXZKRTQHE-GHMZBOCLSA-N 1 0 204.273 1.782 10 0 BDAERO C[C@H]1CSC(NCc2cncs2)=[NH+]1 ZINC000131650161 371639988 /nfs/dbraw/zinc/63/99/88/371639988.db2.gz MVAKDGUZOOWSKM-LURJTMIESA-N 1 0 213.331 1.724 10 0 BDAERO CCc1nsc(O[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000131658087 371643125 /nfs/dbraw/zinc/64/31/25/371643125.db2.gz BPPLLGLMDZRXPX-RNFRBKRXSA-N 1 0 213.306 1.359 10 0 BDAERO [NH3+][C@H](Cc1ccco1)[C@@H]1CSCCO1 ZINC000131657254 371643492 /nfs/dbraw/zinc/64/34/92/371643492.db2.gz WLUBTLFXGSULAF-ZJUUUORDSA-N 1 0 213.302 1.281 10 0 BDAERO CC(C)[NH+]1CCC(C)(C(N)=S)CC1 ZINC000226325238 371646622 /nfs/dbraw/zinc/64/66/22/371646622.db2.gz RYZSPPIBAYKDTA-UHFFFAOYSA-N 1 0 200.351 1.783 10 0 BDAERO Cc1cccc(C)c1CC(=O)C1C[NH2+]C1 ZINC000226536675 371691604 /nfs/dbraw/zinc/69/16/04/371691604.db2.gz PECCZIWJJWWJSZ-UHFFFAOYSA-N 1 0 203.285 1.634 10 0 BDAERO C[C@@]1(c2ccc(Br)o2)C[NH+]=C(N)N1 ZINC000131873580 371703230 /nfs/dbraw/zinc/70/32/30/371703230.db2.gz YRBVASYVCFXYKF-QMMMGPOBSA-N 1 0 244.092 1.175 10 0 BDAERO [NH3+]CC1(C(=O)c2cncnc2)CCCC1 ZINC000226793904 371744731 /nfs/dbraw/zinc/74/47/31/371744731.db2.gz SUFLTBYIYBCKNY-UHFFFAOYSA-N 1 0 205.261 1.178 10 0 BDAERO Cn1ccnc1[C@@H](NO)c1cccs1 ZINC000132127796 371755674 /nfs/dbraw/zinc/75/56/74/371755674.db2.gz IHBVSSNWNAUJQH-QMMMGPOBSA-N 1 0 209.274 1.550 10 0 BDAERO OC[C@@H]1CC[N@H+](C[C@@H]2CCCS2)C1 ZINC000226959450 371759727 /nfs/dbraw/zinc/75/97/27/371759727.db2.gz IEMTUJLKQJCZDE-ZJUUUORDSA-N 1 0 201.335 1.196 10 0 BDAERO [NH3+][C@@H]1CN(c2c(Cl)cccc2Cl)C1=O ZINC000162686979 371818623 /nfs/dbraw/zinc/81/86/23/371818623.db2.gz JANPZLLIQFBFPN-SSDOTTSWSA-N 1 0 231.082 1.667 10 0 BDAERO C[C@@H]1C[C@@H]2[NH2+]CCCS[C@@H]2[C@@H](C)O1 ZINC000227795473 371939604 /nfs/dbraw/zinc/93/96/04/371939604.db2.gz NFJOHEIOFXRZKK-DOLQZWNJSA-N 1 0 201.335 1.647 10 0 BDAERO [NH3+][C@@H]1COC[C@H]1c1ccc(Br)cc1 ZINC000217116709 371892589 /nfs/dbraw/zinc/89/25/89/371892589.db2.gz LIIPXUQVHYYKQX-VHSXEESVSA-N 1 0 242.116 1.890 10 0 BDAERO CSc1ccc(N2C[C@H]([NH3+])C2=O)cc1 ZINC000227619337 371905206 /nfs/dbraw/zinc/90/52/06/371905206.db2.gz KEXIQDOOOMPGKX-VIFPVBQESA-N 1 0 208.286 1.082 10 0 BDAERO [NH3+][C@H]1CN(c2ccc(Cl)cc2F)C1=O ZINC000227620156 371905709 /nfs/dbraw/zinc/90/57/09/371905709.db2.gz HINMGCREEYKMDQ-ZETCQYMHSA-N 1 0 214.627 1.153 10 0 BDAERO CCOC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000227722402 371927105 /nfs/dbraw/zinc/92/71/05/371927105.db2.gz GXYWIWIOYLDTGE-LBPRGKRZSA-N 1 0 234.299 1.701 10 0 BDAERO Brc1cnnn1C[C@H]1CCCC[NH2+]1 ZINC000217496321 371966397 /nfs/dbraw/zinc/96/63/97/371966397.db2.gz MJNCSZZJJCUKHN-SSDOTTSWSA-N 1 0 245.124 1.183 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@@H]2CCCC2=O)CCS1 ZINC000133118110 371991131 /nfs/dbraw/zinc/99/11/31/371991131.db2.gz PBPLUQJTTBNYLO-NXEZZACHSA-N 1 0 213.346 1.935 10 0 BDAERO Cc1nsc(N2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228166203 371998788 /nfs/dbraw/zinc/99/87/88/371998788.db2.gz SXYKMHYGFIHDJD-POYBYMJQSA-N 1 0 212.322 1.020 10 0 BDAERO C[NH2+][C@H](C)[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000227862915 371949442 /nfs/dbraw/zinc/94/94/42/371949442.db2.gz VAEQTOAZISFKCR-KXUCPTDWSA-N 1 0 219.350 1.198 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]21 ZINC000163685680 372030122 /nfs/dbraw/zinc/03/01/22/372030122.db2.gz BCQYNGXZPJDJEE-BIIVOSGPSA-N 1 0 236.237 1.135 10 0 BDAERO CC(C)(C[NH3+])Nc1ncncc1Cl ZINC000163677377 372030580 /nfs/dbraw/zinc/03/05/80/372030580.db2.gz OPCARHYMPFULEY-UHFFFAOYSA-N 1 0 200.673 1.279 10 0 BDAERO CN(C(=O)C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000231488667 372038796 /nfs/dbraw/zinc/03/87/96/372038796.db2.gz WGJKSXAVTHBKLZ-ZETCQYMHSA-N 1 0 224.226 1.149 10 0 BDAERO C[NH2+]Cc1cn([C@H]2CS[C@@H](C)C2)cn1 ZINC000306581301 372040521 /nfs/dbraw/zinc/04/05/21/372040521.db2.gz OOABXZNTDXHEJE-WCBMZHEXSA-N 1 0 211.334 1.669 10 0 BDAERO C([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCSC1 ZINC000228555310 372046887 /nfs/dbraw/zinc/04/68/87/372046887.db2.gz WXOCJGMGMVHACD-QWRGUYRKSA-N 1 0 214.378 1.471 10 0 BDAERO Cc1cnc([C@@H](C)N2CC[C@@H]([NH3+])C2)s1 ZINC000229018999 372105930 /nfs/dbraw/zinc/10/59/30/372105930.db2.gz JSMNMZDCYAHDFY-RKDXNWHRSA-N 1 0 211.334 1.546 10 0 BDAERO CS[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000306743783 372064262 /nfs/dbraw/zinc/06/42/62/372064262.db2.gz HNGVDABIFRYRDO-MRVPVSSYSA-N 1 0 216.350 1.078 10 0 BDAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]CCCF ZINC000306744300 372064417 /nfs/dbraw/zinc/06/44/17/372064417.db2.gz XYDTYNFYPUKTTA-SECBINFHSA-N 1 0 234.315 1.849 10 0 BDAERO C[NH2+][C@H](C)CNc1ccc(Cl)nn1 ZINC000306777819 372066988 /nfs/dbraw/zinc/06/69/88/372066988.db2.gz OOIYBSDMCGKLBD-ZCFIWIBFSA-N 1 0 200.673 1.150 10 0 BDAERO C[N@H+]([C@H]1CCCCCC1=O)C(C)(C)CO ZINC000133538858 372070987 /nfs/dbraw/zinc/07/09/87/372070987.db2.gz WGNXWLHPWWQULT-JTQLQIEISA-N 1 0 213.321 1.591 10 0 BDAERO Cc1nnsc1[C@H](O)[C@H]1CCCC[NH2+]1 ZINC000306843470 372071896 /nfs/dbraw/zinc/07/18/96/372071896.db2.gz CKBLEMKEUOPXHO-HTQZYQBOSA-N 1 0 213.306 1.022 10 0 BDAERO C[C@@H]1CC[S@](=O)C[C@@H](c2ccco2)N1 ZINC000228748852 372075849 /nfs/dbraw/zinc/07/58/49/372075849.db2.gz HGTOEDAPEROTGC-ITMYJUKJSA-N 1 0 213.302 1.451 10 0 BDAERO COC(=O)[C@]1([NH3+])CCC[C@H]1C(F)(F)F ZINC000606301904 372091856 /nfs/dbraw/zinc/09/18/56/372091856.db2.gz NNJNZLDSKFTZQJ-VDTYLAMSSA-N 1 0 211.183 1.219 10 0 BDAERO COC(=O)[C@@]1([NH3+])CCC[C@@H]1C(F)(F)F ZINC000606301901 372092079 /nfs/dbraw/zinc/09/20/79/372092079.db2.gz NNJNZLDSKFTZQJ-CAHLUQPWSA-N 1 0 211.183 1.219 10 0 BDAERO CC1(C)CS[C@@](C)([C@@H]2CC[NH2+]C2)N1 ZINC000307655611 372136031 /nfs/dbraw/zinc/13/60/31/372136031.db2.gz XIMPMHRRTNVTKK-SCZZXKLOSA-N 1 0 200.351 1.427 10 0 BDAERO CC1(C)CS[C@](C)([C@H]2CC[NH2+]C2)N1 ZINC000307655612 372136493 /nfs/dbraw/zinc/13/64/93/372136493.db2.gz XIMPMHRRTNVTKK-WCBMZHEXSA-N 1 0 200.351 1.427 10 0 BDAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCCC2(C1)OCCO2 ZINC000134048868 372151319 /nfs/dbraw/zinc/15/13/19/372151319.db2.gz SICHUVJFTQUVIB-NEPJUHHUSA-N 1 0 241.331 1.129 10 0 BDAERO CC1(C[NH3+])CCN(C(=O)C(F)(F)F)CC1 ZINC000229555181 372164745 /nfs/dbraw/zinc/16/47/45/372164745.db2.gz MAMNWTWFKUOCPX-UHFFFAOYSA-N 1 0 224.226 1.136 10 0 BDAERO COc1c(C[NH2+]C[C@H](C)C2CC2)c(C)nn1C ZINC000134152592 372168298 /nfs/dbraw/zinc/16/82/98/372168298.db2.gz OFJGSDHJLLXKLL-VIFPVBQESA-N 1 0 237.347 1.873 10 0 BDAERO [NH3+][C@H]1CCCN(C[C@@H]2CSCCS2)C1 ZINC000229649580 372177948 /nfs/dbraw/zinc/17/79/48/372177948.db2.gz CSSNGGKVLJUWDT-VHSXEESVSA-N 1 0 232.418 1.258 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C/C(Cl)=C/Cl ZINC000307593701 372129863 /nfs/dbraw/zinc/12/98/63/372129863.db2.gz HRLFBMYRHFBYOT-MOIBXHDPSA-N 1 0 209.120 1.727 10 0 BDAERO CC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)CC1 ZINC000307592474 372130871 /nfs/dbraw/zinc/13/08/71/372130871.db2.gz FEHZZGGBYXPNLZ-IUCAKERBSA-N 1 0 201.335 1.791 10 0 BDAERO CCCNC(=[NH2+])[C@@H]1CSCCN1C ZINC000233044302 372193165 /nfs/dbraw/zinc/19/31/65/372193165.db2.gz CBJNWEYCAFUYSY-QMMMGPOBSA-N 1 0 201.339 1.010 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1ccccc1OC ZINC000004298879 372198373 /nfs/dbraw/zinc/19/83/73/372198373.db2.gz DZLXYLGMAADKPH-SECBINFHSA-N 1 0 209.245 1.258 10 0 BDAERO O=C(CC[C@H]1CCCC[NH2+]1)OC[C@H]1CCCO1 ZINC000050928668 181926020 /nfs/dbraw/zinc/92/60/20/181926020.db2.gz PGGDKDLGJVUWOJ-VXGBXAGGSA-N 1 0 241.331 1.631 10 0 BDAERO Cc1nc(CN2C[C@H](C)[C@@H](C[NH3+])C2)co1 ZINC000631837034 372618067 /nfs/dbraw/zinc/61/80/67/372618067.db2.gz LVLDELSIEXVYRK-WPRPVWTQSA-N 1 0 209.293 1.010 10 0 BDAERO Cc1nocc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836798 372624301 /nfs/dbraw/zinc/62/43/01/372624301.db2.gz HBRXHNLQVOBOFE-SCZZXKLOSA-N 1 0 209.293 1.010 10 0 BDAERO O=C(CN1CCC[NH2+]CC1)c1cccs1 ZINC000041244785 181960967 /nfs/dbraw/zinc/96/09/67/181960967.db2.gz KDMZLMMPYNSGEJ-UHFFFAOYSA-N 1 0 224.329 1.226 10 0 BDAERO O=C(C[NH2+]CC1CCOCC1)NC1CCCC1 ZINC000104204501 181977874 /nfs/dbraw/zinc/97/78/74/181977874.db2.gz VNDCTUDPBJPABT-UHFFFAOYSA-N 1 0 240.347 1.061 10 0 BDAERO O=C(CNC[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000095072807 181978563 /nfs/dbraw/zinc/97/85/63/181978563.db2.gz NCCSURUIXNEFSZ-SECBINFHSA-N 1 0 224.329 1.130 10 0 BDAERO COc1ccccc1[C@@H]([NH3+])Cn1ccnc1C ZINC000038860306 372795340 /nfs/dbraw/zinc/79/53/40/372795340.db2.gz CGJUOFHEKORRGX-LBPRGKRZSA-N 1 0 231.299 1.900 10 0 BDAERO C[NH+](C)CCOc1cc(N)ccc1Cl ZINC000038874729 372798437 /nfs/dbraw/zinc/79/84/37/372798437.db2.gz JOVLWUPTDOJTAI-UHFFFAOYSA-N 1 0 214.696 1.863 10 0 BDAERO O=C(C[C@H]1CCCC[NH2+]1)NCC1CCCC1 ZINC000037258981 182027523 /nfs/dbraw/zinc/02/75/23/182027523.db2.gz OXNSQYSNEXIFHN-GFCCVEGCSA-N 1 0 224.348 1.825 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccccn1 ZINC000054305483 182028400 /nfs/dbraw/zinc/02/84/00/182028400.db2.gz NPQOCPYIMUTSGS-SNVBAGLBSA-N 1 0 219.288 1.410 10 0 BDAERO C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000141639481 372999064 /nfs/dbraw/zinc/99/90/64/372999064.db2.gz LNBPBQCQMJPTQS-UHFFFAOYSA-N 1 0 215.300 1.920 10 0 BDAERO O=C(Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000041234685 182045600 /nfs/dbraw/zinc/04/56/00/182045600.db2.gz XRFUIBOZBNYBMN-UHFFFAOYSA-N 1 0 221.275 1.937 10 0 BDAERO C[C@H]([NH3+])[C@@](O)(c1ccoc1)C(F)(F)F ZINC000068978563 373099212 /nfs/dbraw/zinc/09/92/12/373099212.db2.gz RWFPADACXVENCQ-CAHLUQPWSA-N 1 0 209.167 1.377 10 0 BDAERO C[C@@H]([NH3+])[C@](O)(c1ccoc1)C(F)(F)F ZINC000068978569 373099294 /nfs/dbraw/zinc/09/92/94/373099294.db2.gz RWFPADACXVENCQ-VDTYLAMSSA-N 1 0 209.167 1.377 10 0 BDAERO O=C(NC1CCCCCCC1)[C@H]1CC[NH2+]C1 ZINC000062112216 182114856 /nfs/dbraw/zinc/11/48/56/182114856.db2.gz CIMLPIRSLPFTQI-NSHDSACASA-N 1 0 224.348 1.825 10 0 BDAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCS1 ZINC000069986561 182119533 /nfs/dbraw/zinc/11/95/33/182119533.db2.gz YUZCEHCGVKLKBX-IXMYILBSSA-N 1 0 240.372 1.281 10 0 BDAERO O=C(NCC1CC1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019482481 182140441 /nfs/dbraw/zinc/14/04/41/182140441.db2.gz JRDKRLLYRCORFG-SDDRHHMPSA-N 1 0 222.332 1.433 10 0 BDAERO O=C(NCC1CCC1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037180805 182143110 /nfs/dbraw/zinc/14/31/10/182143110.db2.gz HYWWRGMLOVFWEN-RWMBFGLXSA-N 1 0 236.359 1.823 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000069725285 373659197 /nfs/dbraw/zinc/65/91/97/373659197.db2.gz OXMQBMFAACUMLG-BQBZGAKWSA-N 1 0 224.226 1.135 10 0 BDAERO O=C(NCCC1=CCCCC1)[C@H]1CC[NH2+]C1 ZINC000062112812 182152781 /nfs/dbraw/zinc/15/27/81/182152781.db2.gz ZGNSNSRBMIODSZ-LBPRGKRZSA-N 1 0 222.332 1.603 10 0 BDAERO CO[C@@H]1CCC[C@H](OC[C@@H]2CC[NH2+]C2)C1 ZINC000069848767 373876837 /nfs/dbraw/zinc/87/68/37/373876837.db2.gz ZNDRQSRMNOZUNG-UTUOFQBUSA-N 1 0 213.321 1.570 10 0 BDAERO CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C[NH3+] ZINC000142749020 373934210 /nfs/dbraw/zinc/93/42/10/373934210.db2.gz WXQMQAMXMZTBAB-UWVGGRQHSA-N 1 0 244.335 1.217 10 0 BDAERO Cc1ccc2c(c1)[C@H]([NH3+])C[C@@H](C)[S@@]2=O ZINC000040974783 373975476 /nfs/dbraw/zinc/97/54/76/373975476.db2.gz GKTIGIJYGGDSDB-PJCOJXEDSA-N 1 0 209.314 1.895 10 0 BDAERO C[NH+]1CCC(Oc2nsnc2Cl)CC1 ZINC000041018718 374049540 /nfs/dbraw/zinc/04/95/40/374049540.db2.gz IFWUSHZPYCSWOV-UHFFFAOYSA-N 1 0 233.724 1.665 10 0 BDAERO CCCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174342938 374184694 /nfs/dbraw/zinc/18/46/94/374184694.db2.gz HDLBSUYORSGNOE-NWDGAFQWSA-N 1 0 242.363 1.090 10 0 BDAERO O=C(NC[C@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000096238313 182235453 /nfs/dbraw/zinc/23/54/53/182235453.db2.gz BEIXHEJJRDUOMO-LLVKDONJSA-N 1 0 222.332 1.292 10 0 BDAERO [NH3+]CCCc1occc1Br ZINC000070636156 374168039 /nfs/dbraw/zinc/16/80/39/374168039.db2.gz LCVRNDLBSLQYCR-UHFFFAOYSA-N 1 0 204.067 1.933 10 0 BDAERO O=C(NCc1cccc2ccccc21)C1C[NH2+]C1 ZINC000091415319 182253958 /nfs/dbraw/zinc/25/39/58/182253958.db2.gz BNXBRSMOANLVII-UHFFFAOYSA-N 1 0 240.306 1.675 10 0 BDAERO C[C@H]1C[NH+]=C(NCc2ccnn2C)S1 ZINC000070905566 374225495 /nfs/dbraw/zinc/22/54/95/374225495.db2.gz WFFDWCZPCCJERM-ZETCQYMHSA-N 1 0 210.306 1.001 10 0 BDAERO CC(C)[C@@H]([NH3+])c1ncc(Br)cn1 ZINC000070948206 374234106 /nfs/dbraw/zinc/23/41/06/374234106.db2.gz CLNIBCLDNFGZCM-SSDOTTSWSA-N 1 0 230.109 1.895 10 0 BDAERO C[C@H]([NH2+][C@H]1C[C@H]1C)C1CCS(=O)(=O)CC1 ZINC000187158612 206012823 /nfs/dbraw/zinc/01/28/23/206012823.db2.gz QWPJDUJUTZUZQE-YWVKMMECSA-N 1 0 231.361 1.198 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1CCC1 ZINC000246684667 374285327 /nfs/dbraw/zinc/28/53/27/374285327.db2.gz BDWYKWBRVRGPGN-YPMHNXCESA-N 1 0 236.359 1.872 10 0 BDAERO COC[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000246674037 374285908 /nfs/dbraw/zinc/28/59/08/374285908.db2.gz MVHOQEORNLMFFK-NEPJUHHUSA-N 1 0 242.363 1.068 10 0 BDAERO O=C(Nc1c(F)cccc1F)[C@@H]1CCC[NH2+]1 ZINC000020476431 182346529 /nfs/dbraw/zinc/34/65/29/182346529.db2.gz AWHPRLLPTYRHEW-VIFPVBQESA-N 1 0 226.226 1.655 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1ccccc1C ZINC000076616979 170054380 /nfs/dbraw/zinc/05/43/80/170054380.db2.gz GKFWJMBYTIDSLE-GFCCVEGCSA-N 1 0 234.343 1.954 10 0 BDAERO O=C(Nc1cccc2cnccc21)[C@@H]1CC[NH2+]C1 ZINC000062113393 182374686 /nfs/dbraw/zinc/37/46/86/182374686.db2.gz HGZZVAFXLNLCQN-LLVKDONJSA-N 1 0 241.294 1.783 10 0 BDAERO CCCC[NH2+]C[C@H](O)c1ccc(F)c(N)c1 ZINC000098125044 168868209 /nfs/dbraw/zinc/86/82/09/168868209.db2.gz FGPQXSXQXRAMMO-LBPRGKRZSA-N 1 0 226.295 1.831 10 0 BDAERO O=C(Nc1cccnc1Cl)C1CC[NH2+]CC1 ZINC000037019947 182385449 /nfs/dbraw/zinc/38/54/49/182385449.db2.gz RQONEOVAAZAKDD-UHFFFAOYSA-N 1 0 239.706 1.673 10 0 BDAERO O=C(Nc1ncccc1O)[C@H]1CC12CC[NH2+]CC2 ZINC000128605994 182398873 /nfs/dbraw/zinc/39/88/73/182398873.db2.gz XWQXIPYHRWCTHN-SECBINFHSA-N 1 0 247.298 1.115 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@@H](CC)C(C)(C)C ZINC000336766207 170096248 /nfs/dbraw/zinc/09/62/48/170096248.db2.gz RLMDOTXKQSSEIO-UWVGGRQHSA-N 1 0 214.353 1.925 10 0 BDAERO CC[NH2+]CCN1C[C@H](C)OC(C)(C)C1 ZINC000045685433 170113976 /nfs/dbraw/zinc/11/39/76/170113976.db2.gz DOBIQKNBWRPNKU-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO O=C1Nc2c(F)cccc2CN1C1CC[NH2+]CC1 ZINC000142877163 182822174 /nfs/dbraw/zinc/82/21/74/182822174.db2.gz WLGORDHNIRNGRX-UHFFFAOYSA-N 1 0 249.289 1.925 10 0 BDAERO O=C1Nc2c[nH+]ccc2N[C@H]2CCC[C@H]12 ZINC000082381092 182825615 /nfs/dbraw/zinc/82/56/15/182825615.db2.gz QRIHXMDYLIHXEK-YUMQZZPRSA-N 1 0 203.245 1.614 10 0 BDAERO O=C1OC2(CC[NH2+]CC2)Cc2ccccc21 ZINC000029565070 182826544 /nfs/dbraw/zinc/82/65/44/182826544.db2.gz SNJCRKAPYZZDKF-UHFFFAOYSA-N 1 0 217.268 1.522 10 0 BDAERO O=c1c(C[NH2+]C2CC2)cc2cccc3c2n1CC3 ZINC000049474315 182984068 /nfs/dbraw/zinc/98/40/68/182984068.db2.gz FQHWDLHFKNKVGT-UHFFFAOYSA-N 1 0 240.306 1.810 10 0 BDAERO O=c1ccccn1CC[NH2+]Cc1ccccc1 ZINC000049948392 183002286 /nfs/dbraw/zinc/00/22/86/183002286.db2.gz XLYUDQPHRQSQHC-UHFFFAOYSA-N 1 0 228.295 1.638 10 0 BDAERO O=c1cnc2ccccc2n1CC1CC[NH2+]CC1 ZINC000041630900 183006466 /nfs/dbraw/zinc/00/64/66/183006466.db2.gz ADGPMEDVCJBISA-UHFFFAOYSA-N 1 0 243.310 1.396 10 0 BDAERO OC1(C[N@@H+]2CCC3(C2)CCOCC3)CCC1 ZINC000336553943 183017967 /nfs/dbraw/zinc/01/79/67/183017967.db2.gz KGAGJYSZRCQALQ-UHFFFAOYSA-N 1 0 225.332 1.404 10 0 BDAERO OC1(C[C@@H]2[NH2+]CCS2)CCCCC1 ZINC000104838620 183021797 /nfs/dbraw/zinc/02/17/97/183021797.db2.gz QNZMMJYXNDWTSW-SECBINFHSA-N 1 0 201.335 1.734 10 0 BDAERO OC1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000013494199 183032795 /nfs/dbraw/zinc/03/27/95/183032795.db2.gz QBGJTVIWVSLDFA-PBWFPOADSA-N 1 0 217.312 1.889 10 0 BDAERO OCC1(C[NH2+][C@H]2CCC[C@H]2CCF)COC1 ZINC000336698753 183037279 /nfs/dbraw/zinc/03/72/79/183037279.db2.gz MXBSBHHJCFTPKD-QWRGUYRKSA-N 1 0 231.311 1.113 10 0 BDAERO OCCOCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336660099 183086405 /nfs/dbraw/zinc/08/64/05/183086405.db2.gz BSWXFDCXWVITGS-MNOVXSKESA-N 1 0 219.300 1.113 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncnc1 ZINC000152311911 183117878 /nfs/dbraw/zinc/11/78/78/183117878.db2.gz YIMBMEVGHLGRJE-NWDGAFQWSA-N 1 0 221.304 1.117 10 0 BDAERO OC[C@@]1(Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000085042194 183134725 /nfs/dbraw/zinc/13/47/25/183134725.db2.gz RBMGBWISOFISNU-GFCCVEGCSA-N 1 0 209.264 1.340 10 0 BDAERO OC[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000095933401 183146896 /nfs/dbraw/zinc/14/68/96/183146896.db2.gz MVBXGBJXKVIZOJ-LLVKDONJSA-N 1 0 217.312 1.787 10 0 BDAERO CCCCn1ccnc1C[NH2+]CCCO ZINC000022862111 169036789 /nfs/dbraw/zinc/03/67/89/169036789.db2.gz DCBFKMLXFLDVHD-UHFFFAOYSA-N 1 0 211.309 1.155 10 0 BDAERO OC[C@H]1[NH2+]CCc2cc(Cl)c(O)cc21 ZINC000075796438 183156837 /nfs/dbraw/zinc/15/68/37/183156837.db2.gz OVQHRMCWXJZTNC-SECBINFHSA-N 1 0 213.664 1.225 10 0 BDAERO OC[C@]1(C[N@@H+]2CCc3ccccc3C2)CCOC1 ZINC000051292296 183157602 /nfs/dbraw/zinc/15/76/02/183157602.db2.gz OAMOSXXSCHFSHJ-OAHLLOKOSA-N 1 0 247.338 1.444 10 0 BDAERO OC[C@]1([NH2+]C[C@@H]2CCCO2)CCCSC1 ZINC000061590862 183159171 /nfs/dbraw/zinc/15/91/71/183159171.db2.gz HUSCCDFWFYNENA-WDEREUQCSA-N 1 0 231.361 1.013 10 0 BDAERO CCCN(C(=O)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000037096248 169045145 /nfs/dbraw/zinc/04/51/45/169045145.db2.gz PWIMMFLIDBYYOP-NSHDSACASA-N 1 0 212.337 1.776 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)COCc1ccccc1F ZINC000002660982 183177149 /nfs/dbraw/zinc/17/71/49/183177149.db2.gz YXEQYQLETSZHQF-LBPRGKRZSA-N 1 0 239.290 1.455 10 0 BDAERO O[C@@H](C[NH2+]CCn1cccn1)c1ccccc1F ZINC000042540685 183178753 /nfs/dbraw/zinc/17/87/53/183178753.db2.gz AJVSFFWDMQRHEW-ZDUSSCGKSA-N 1 0 249.289 1.345 10 0 BDAERO O[C@@H](C[NH2+]CCc1ccccc1)c1ccccn1 ZINC000032100313 183179720 /nfs/dbraw/zinc/17/97/20/183179720.db2.gz WYQGMDMUFIRIKB-HNNXBMFYSA-N 1 0 242.322 1.947 10 0 BDAERO O[C@@H](CNc1ccccc1)C[NH+]1CCCCC1 ZINC000001564640 183182390 /nfs/dbraw/zinc/18/23/90/183182390.db2.gz RXEWLSQUHJUOJX-AWEZNQCLSA-N 1 0 234.343 1.945 10 0 BDAERO CCCN(C)C(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055126452 169052823 /nfs/dbraw/zinc/05/28/23/169052823.db2.gz QILZCLIGDRKYJN-MNOVXSKESA-N 1 0 212.337 1.762 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000305431619 183188434 /nfs/dbraw/zinc/18/84/34/183188434.db2.gz FGILIRGLQJCQMY-UONOGXRCSA-N 1 0 249.358 1.893 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000037164884 183195827 /nfs/dbraw/zinc/19/58/27/183195827.db2.gz ZAMFTYUUEJJCKW-VXGBXAGGSA-N 1 0 206.289 1.475 10 0 BDAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCOC2(CCCC2)C1 ZINC000305663479 183231083 /nfs/dbraw/zinc/23/10/83/183231083.db2.gz HDYMGIRYIIOMIP-STQMWFEESA-N 1 0 239.359 1.935 10 0 BDAERO O[C@H](Cc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000041242385 183227858 /nfs/dbraw/zinc/22/78/58/183227858.db2.gz MTLXBKXGRHZFBE-WCQYABFASA-N 1 0 223.291 1.729 10 0 BDAERO O[C@H](c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]1 ZINC000036160537 183229449 /nfs/dbraw/zinc/22/94/49/183229449.db2.gz RLTPQNMCUMVLMJ-JOYOIKCWSA-N 1 0 221.256 1.201 10 0 BDAERO O[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC000071396397 183229505 /nfs/dbraw/zinc/22/95/05/183229505.db2.gz OSSUJQNEICUQGN-WDEREUQCSA-N 1 0 245.282 1.576 10 0 BDAERO O[C@H](c1ccc2c(c1)CCCO2)[C@@H]1CCC[NH2+]1 ZINC000062616206 183229587 /nfs/dbraw/zinc/22/95/87/183229587.db2.gz SGENDCZPCFUBEF-GXTWGEPZSA-N 1 0 233.311 1.797 10 0 BDAERO O[C@H](c1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000041303083 183229636 /nfs/dbraw/zinc/22/96/36/183229636.db2.gz IIWLEJZOOPNOAZ-SMDDNHRTSA-N 1 0 249.310 1.633 10 0 BDAERO O[C@@H]1c2ccccc2OC[C@H]1[NH+]1CCCCC1 ZINC000044119612 183214959 /nfs/dbraw/zinc/21/49/59/183214959.db2.gz KUBLZEAOYLPCTH-TZMCWYRMSA-N 1 0 233.311 1.967 10 0 BDAERO O[C@H]1CC[NH2+][C@H]1c1ccccc1Br ZINC000096987601 183241177 /nfs/dbraw/zinc/24/11/77/183241177.db2.gz OILYTLRIBGHLBR-UWVGGRQHSA-N 1 0 242.116 1.844 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1Cc1c(F)cccc1Cl ZINC000071558149 183241399 /nfs/dbraw/zinc/24/13/99/183241399.db2.gz KAKBDWRMNZICBS-PELKAZGASA-N 1 0 243.709 1.992 10 0 BDAERO O[C@H]1CC[NH2+]C[C@@H]1Cc1ccc(Cl)s1 ZINC000076678757 183241456 /nfs/dbraw/zinc/24/14/56/183241456.db2.gz UJLQIYRBNHKESH-CBAPKCEASA-N 1 0 231.748 1.914 10 0 BDAERO O[C@H]1C[NH2+][C@H](c2nc(Cc3ccccc3)no2)C1 ZINC000015674667 183245672 /nfs/dbraw/zinc/24/56/72/183245672.db2.gz NHKMFJGAGGPGDH-MNOVXSKESA-N 1 0 245.282 1.056 10 0 BDAERO O[C@H]1COC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000042396322 183246983 /nfs/dbraw/zinc/24/69/83/183246983.db2.gz HMAIEXYFTYYTQY-RYUDHWBXSA-N 1 0 241.718 1.232 10 0 BDAERO O[C@]1(Cc2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000060164753 183251321 /nfs/dbraw/zinc/25/13/21/183251321.db2.gz WOGXGPPTMLQMGI-LBPRGKRZSA-N 1 0 225.719 1.997 10 0 BDAERO O[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CCOC1 ZINC000336676377 183251829 /nfs/dbraw/zinc/25/18/29/183251829.db2.gz LRNCIYCYBUXCMH-UTUOFQBUSA-N 1 0 231.311 1.256 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2N1CCC[NH2+]CC1 ZINC000038086995 183281764 /nfs/dbraw/zinc/28/17/64/183281764.db2.gz HZJXLQCENNBBPY-LBPRGKRZSA-N 1 0 234.299 1.121 10 0 BDAERO Oc1ccc2c(c1)CCC1(CC[NH2+]CC1)O2 ZINC000036141552 183279831 /nfs/dbraw/zinc/27/98/31/183279831.db2.gz VBNMQAAVTMCEGO-UHFFFAOYSA-N 1 0 219.284 1.839 10 0 BDAERO Oc1ccc2c(c1)C[C@@H]1CCC[NH2+][C@H]1C2 ZINC000039209716 183280433 /nfs/dbraw/zinc/28/04/33/183280433.db2.gz LFUCQBCYFTZJHM-GWCFXTLKSA-N 1 0 203.285 1.859 10 0 BDAERO Oc1cccc(-c2noc(C[C@H]3CCC[NH2+]3)n2)c1 ZINC000096879752 183287809 /nfs/dbraw/zinc/28/78/09/183287809.db2.gz UEHJKLTVRRMBPV-SNVBAGLBSA-N 1 0 245.282 1.737 10 0 BDAERO CCCN(CCC[NH3+])CC(=O)NC(C)(C)CC ZINC000049281630 169155783 /nfs/dbraw/zinc/15/57/83/169155783.db2.gz RNMMCTRKJATTKR-UHFFFAOYSA-N 1 0 243.395 1.352 10 0 BDAERO CCCN(CC[NH3+])S(=O)(=O)c1cccs1 ZINC000076634011 169157200 /nfs/dbraw/zinc/15/72/00/169157200.db2.gz JXEWZLONWWFNSZ-UHFFFAOYSA-N 1 0 248.373 1.108 10 0 BDAERO Oc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000037165470 183291698 /nfs/dbraw/zinc/29/16/98/183291698.db2.gz DMRCAWBVHGWYHQ-YPMHNXCESA-N 1 0 221.300 1.785 10 0 BDAERO CCCN(CC[NH3+])[C@H](C)C(=O)N1CCCCC1 ZINC000041160724 169158718 /nfs/dbraw/zinc/15/87/18/169158718.db2.gz NAYWENIBPJQQRD-GFCCVEGCSA-N 1 0 241.379 1.058 10 0 BDAERO CCCN(CCO)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000042915049 169166403 /nfs/dbraw/zinc/16/64/03/169166403.db2.gz KCVADMJZAZCKCY-CYBMUJFWSA-N 1 0 240.322 1.530 10 0 BDAERO O=c1ccnc(SCC[C@H]2CCC[NH2+]C2)[nH]1 ZINC000051920405 183304876 /nfs/dbraw/zinc/30/48/76/183304876.db2.gz WZTTXUNPKOOROX-SECBINFHSA-N 1 0 239.344 1.664 10 0 BDAERO Oc1cccnc1OCC[C@H]1CCC[NH2+]C1 ZINC000095073854 183304978 /nfs/dbraw/zinc/30/49/78/183304978.db2.gz LSTPDAYWANNQHH-SNVBAGLBSA-N 1 0 222.288 1.556 10 0 BDAERO CCCN([C@@H](C)CC(=O)OCC)[C@@H]1CC[NH2+]C1 ZINC000071332311 169180311 /nfs/dbraw/zinc/18/03/11/169180311.db2.gz MMEBSPIWAAORGX-NWDGAFQWSA-N 1 0 242.363 1.402 10 0 BDAERO CCCN(Cc1nnc(C)o1)[C@@H]1CCC[NH2+]C1 ZINC000104341072 169181557 /nfs/dbraw/zinc/18/15/57/169181557.db2.gz XIQPCKBXQLIVNQ-LLVKDONJSA-N 1 0 238.335 1.342 10 0 BDAERO c1[nH]nc(C2CCCC2)c1CN1CC[NH2+]CC1 ZINC000082653333 183320813 /nfs/dbraw/zinc/32/08/13/183320813.db2.gz PBZUBIQYWBJMHH-UHFFFAOYSA-N 1 0 234.347 1.473 10 0 BDAERO c1c2nc(C[NH2+]C3CC3)[nH]c2cc2c1OCCO2 ZINC000037599418 183321201 /nfs/dbraw/zinc/32/12/01/183321201.db2.gz NBTPBOVYCYTITP-UHFFFAOYSA-N 1 0 245.282 1.586 10 0 BDAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NCC(=O)OC)C1 ZINC000037208781 169194436 /nfs/dbraw/zinc/19/44/36/169194436.db2.gz LQTVIRYNFDHCMR-VXGBXAGGSA-N 1 0 242.363 1.260 10 0 BDAERO CCCNC(=O)C[NH2+][C@H](CC)C(C)(C)C ZINC000309033237 169228628 /nfs/dbraw/zinc/22/86/28/169228628.db2.gz GJCPOQSEIMZVCU-SNVBAGLBSA-N 1 0 214.353 1.927 10 0 BDAERO CCCNC(=O)COc1ccccc1CC[NH3+] ZINC000037720480 169231447 /nfs/dbraw/zinc/23/14/47/169231447.db2.gz AQXZFQVSHAOMQE-UHFFFAOYSA-N 1 0 236.315 1.093 10 0 BDAERO CCCNC(=O)COc1ccccc1[C@H](C)[NH3+] ZINC000019281928 169231451 /nfs/dbraw/zinc/23/14/51/169231451.db2.gz NWHDVUHRLZHUCU-JTQLQIEISA-N 1 0 236.315 1.611 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1cccc(F)c1 ZINC000076620392 169232361 /nfs/dbraw/zinc/23/23/61/169232361.db2.gz PTAFWAMVANLYEQ-NSHDSACASA-N 1 0 238.306 1.784 10 0 BDAERO CCCN1CCc2nc([C@@H](C)[NH3+])sc2C1 ZINC000041059176 169208415 /nfs/dbraw/zinc/20/84/15/169208415.db2.gz ROWFUNYUPVLIMI-MRVPVSSYSA-N 1 0 225.361 1.931 10 0 BDAERO CCCN1c2ccccc2C[C@@H]1C1=[NH+]CCN1 ZINC000029337296 169210991 /nfs/dbraw/zinc/21/09/91/169210991.db2.gz ZYYGDUFRXNYWNW-CYBMUJFWSA-N 1 0 229.327 1.829 10 0 BDAERO CCCN1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860294 169211896 /nfs/dbraw/zinc/21/18/96/169211896.db2.gz YZTLFHHNRAFDRM-ZDUSSCGKSA-N 1 0 204.317 1.782 10 0 BDAERO c1cc(CCN2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000113164200 183336424 /nfs/dbraw/zinc/33/64/24/183336424.db2.gz MNIJJWLKRYCOLT-CQSZACIVSA-N 1 0 231.343 1.404 10 0 BDAERO CCC[NH2+]CC(=O)c1ccccc1OC ZINC000041613698 169255769 /nfs/dbraw/zinc/25/57/69/169255769.db2.gz FOWSTEGJFDSZIR-UHFFFAOYSA-N 1 0 207.273 1.878 10 0 BDAERO c1cc(NCC2CC[NH2+]CC2)cc2c1OCO2 ZINC000041262961 183369105 /nfs/dbraw/zinc/36/91/05/183369105.db2.gz VGAJGBBTOJKGNE-UHFFFAOYSA-N 1 0 234.299 1.827 10 0 BDAERO c1cc(NC[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000041262990 183369753 /nfs/dbraw/zinc/36/97/53/183369753.db2.gz BGKGSRNBLJGRII-SNVBAGLBSA-N 1 0 234.299 1.827 10 0 BDAERO CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746758 169234259 /nfs/dbraw/zinc/23/42/59/169234259.db2.gz LHBNUNARIMSDAN-ZACCUICWSA-N 1 0 225.336 1.321 10 0 BDAERO CCCNC(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC000037470269 169234363 /nfs/dbraw/zinc/23/43/63/169234363.db2.gz SJIFIIJDFMGYDI-JTQLQIEISA-N 1 0 213.325 1.180 10 0 BDAERO CCCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917500 169234458 /nfs/dbraw/zinc/23/44/58/169234458.db2.gz VSMSUPMROJUXMK-VXGBXAGGSA-N 1 0 239.363 1.570 10 0 BDAERO c1[nH]c2cccc3c2c1C[C@H]1[NH2+]CCO[C@H]31 ZINC000001995323 183373398 /nfs/dbraw/zinc/37/33/98/183373398.db2.gz VHGCBDMLWAGBAP-DGCLKSJQSA-N 1 0 214.268 1.754 10 0 BDAERO CCCNC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000035691027 169238702 /nfs/dbraw/zinc/23/87/02/169238702.db2.gz VLQSROOGWDHMKR-SECBINFHSA-N 1 0 213.325 1.084 10 0 BDAERO c1cc2ncc(C[C@H]3CC[NH2+]C3)cc2[nH]1 ZINC000089221660 183377334 /nfs/dbraw/zinc/37/73/34/183377334.db2.gz SMLMAQPVAQYXLC-SECBINFHSA-N 1 0 201.273 1.715 10 0 BDAERO c1c[nH]c(-c2ccccc2OCC2=[NH+]CCN2)n1 ZINC000013437847 183383342 /nfs/dbraw/zinc/38/33/42/183383342.db2.gz SCBRBOJPMMAMHQ-UHFFFAOYSA-N 1 0 242.282 1.457 10 0 BDAERO CCC[NH2+]Cc1c(C)nn(C)c1-n1ccnc1 ZINC000034825235 169266043 /nfs/dbraw/zinc/26/60/43/169266043.db2.gz BBSCUVXGYGEZRH-UHFFFAOYSA-N 1 0 233.319 1.414 10 0 BDAERO CCC[NH2+]Cc1nnnn1CCc1ccccc1 ZINC000054745720 169269718 /nfs/dbraw/zinc/26/97/18/169269718.db2.gz LEGFQBKKKJUMQG-UHFFFAOYSA-N 1 0 245.330 1.415 10 0 BDAERO CCC[NH2+]Cc1csc(N2CCOCC2)n1 ZINC000070681753 169269946 /nfs/dbraw/zinc/26/99/46/169269946.db2.gz BLMYTFYZQPEWGF-UHFFFAOYSA-N 1 0 241.360 1.479 10 0 BDAERO CCCN[C@@H](CC[N@H+](CC)[C@@H](C)CC)C(N)=O ZINC000062446497 169277995 /nfs/dbraw/zinc/27/79/95/169277995.db2.gz ODHWEPLWJOEDEX-RYUDHWBXSA-N 1 0 243.395 1.350 10 0 BDAERO c1ccc(CONCC2CC[NH2+]CC2)cc1 ZINC000083017932 183407943 /nfs/dbraw/zinc/40/79/43/183407943.db2.gz NUHYKQRSCXUXPB-UHFFFAOYSA-N 1 0 220.316 1.707 10 0 BDAERO CCC[NH2+][C@@H]1CCN([C@H](C)c2ccncc2)C1=O ZINC000049648745 169283500 /nfs/dbraw/zinc/28/35/00/169283500.db2.gz DMPLYORTSOYXKG-DGCLKSJQSA-N 1 0 247.342 1.743 10 0 BDAERO CCC[NH2+][C@H](/C=C/[Si](C)(C)C)CO ZINC000195524992 169283776 /nfs/dbraw/zinc/28/37/76/169283776.db2.gz BCYOIVDKAQCNDN-QEHWCHDUSA-N 1 0 201.386 1.781 10 0 BDAERO CCCOC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042532 169300115 /nfs/dbraw/zinc/30/01/15/169300115.db2.gz ICMGVXKXXXCXSJ-LBPRGKRZSA-N 1 0 240.347 1.156 10 0 BDAERO CCCO[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000035234727 169311204 /nfs/dbraw/zinc/31/12/04/169311204.db2.gz MLFBRHWZGIMJTB-JTQLQIEISA-N 1 0 236.315 1.899 10 0 BDAERO CCCO[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000037024848 169311830 /nfs/dbraw/zinc/31/18/30/169311830.db2.gz WAEUJWLYZLXZGV-ZJUUUORDSA-N 1 0 215.293 1.036 10 0 BDAERO CCC[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1=O ZINC000049647086 169291893 /nfs/dbraw/zinc/29/18/93/169291893.db2.gz GDROAHSSYIVASX-ZDUSSCGKSA-N 1 0 248.326 1.800 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@H](C)c2ccccn2)C1=O ZINC000049648730 169292102 /nfs/dbraw/zinc/29/21/02/169292102.db2.gz LDJSJDLSUXFFSZ-YPMHNXCESA-N 1 0 247.342 1.743 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@H](C)[C@@H]2CCCO2)C1=O ZINC000049648176 169292103 /nfs/dbraw/zinc/29/21/03/169292103.db2.gz GQNDLQFNEWPJAI-WOPDTQHZSA-N 1 0 240.347 1.154 10 0 BDAERO CCC[NH2+][C@]1(C(N)=O)CCCc2sccc21 ZINC000061329873 169293438 /nfs/dbraw/zinc/29/34/38/169293438.db2.gz WEFKLCUSZLEDNV-GFCCVEGCSA-N 1 0 238.356 1.765 10 0 BDAERO CCCNc1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000050891547 169296409 /nfs/dbraw/zinc/29/64/09/169296409.db2.gz DHMUFLIDRYYQAX-UHFFFAOYSA-N 1 0 218.304 1.676 10 0 BDAERO CCCNc1ncccc1CN1CC[NH+](C)CC1 ZINC000052709807 169297023 /nfs/dbraw/zinc/29/70/23/169297023.db2.gz JVNOUUIHJBQLGR-UHFFFAOYSA-N 1 0 248.374 1.651 10 0 BDAERO CCCOc1ccc([C@](C)([NH2+]C)C(N)=O)cc1 ZINC000037459009 169322587 /nfs/dbraw/zinc/32/25/87/169322587.db2.gz JDRCSWGEODUBQV-ZDUSSCGKSA-N 1 0 236.315 1.395 10 0 BDAERO CCCOc1ccccc1OC[C@H](O)C[NH3+] ZINC000019388008 169327464 /nfs/dbraw/zinc/32/74/64/169327464.db2.gz MJMOSWOSIXRWLM-SNVBAGLBSA-N 1 0 225.288 1.174 10 0 BDAERO CCCOc1ccccc1OC[C@H](O)C[NH2+]C ZINC000019864864 169327670 /nfs/dbraw/zinc/32/76/70/169327670.db2.gz WEDPGYORVNJQNI-LLVKDONJSA-N 1 0 239.315 1.435 10 0 BDAERO c1cnc(OCC[C@H]2CCC[NH2+]C2)nc1 ZINC000051918333 183482704 /nfs/dbraw/zinc/48/27/04/183482704.db2.gz PQYSSUIYYXFXIK-SNVBAGLBSA-N 1 0 207.277 1.245 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@H](C)N(CC)CCC[NH3+] ZINC000034960306 169368673 /nfs/dbraw/zinc/36/86/73/169368673.db2.gz VNOMUCMFNDXWQR-NEPJUHHUSA-N 1 0 243.395 1.350 10 0 BDAERO CCC[C@@H](C(=O)Nc1ccc(F)cn1)[NH+](C)C ZINC000094018402 169346514 /nfs/dbraw/zinc/34/65/14/169346514.db2.gz FHTJHWBDBHCHBD-JTQLQIEISA-N 1 0 239.294 1.890 10 0 BDAERO CCC[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000371480876 169371253 /nfs/dbraw/zinc/37/12/53/169371253.db2.gz RRLULBBKXOAGGM-GHMZBOCLSA-N 1 0 207.321 1.976 10 0 BDAERO c1cncc(CN2CCO[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC000096082306 183493231 /nfs/dbraw/zinc/49/32/31/183493231.db2.gz PVZIOWURSDKWGN-KBPBESRZSA-N 1 0 247.342 1.034 10 0 BDAERO CCC[C@@H](CC)[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC000050165326 169379871 /nfs/dbraw/zinc/37/98/71/169379871.db2.gz XOZCNVOOODHUJH-VHSXEESVSA-N 1 0 243.351 1.389 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCn2c(C)ccc2[C@@H]1C ZINC000037798443 169388368 /nfs/dbraw/zinc/38/83/68/169388368.db2.gz PXATZROMGQTCGJ-NWDGAFQWSA-N 1 0 249.358 1.827 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(O)cc1 ZINC000037823230 169386595 /nfs/dbraw/zinc/38/65/95/169386595.db2.gz ODULDUFIFNIWRW-GFCCVEGCSA-N 1 0 236.315 1.478 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000038010079 169390347 /nfs/dbraw/zinc/39/03/47/169390347.db2.gz VTUSIXWJVXBFES-VXGBXAGGSA-N 1 0 248.326 1.234 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1cccnc1Cl ZINC000037019994 169391860 /nfs/dbraw/zinc/39/18/60/169391860.db2.gz ZMISNSULNFIKGG-SSDOTTSWSA-N 1 0 227.695 1.801 10 0 BDAERO CCC[C@@H]([NH3+])NC(=O)OCc1ccccc1 ZINC000005310826 169393100 /nfs/dbraw/zinc/39/31/00/169393100.db2.gz ZKBQKYLCTAANTL-NSHDSACASA-N 1 0 222.288 1.998 10 0 BDAERO CCn1nccc1[C@@H]1OCCC[C@H]1C[NH3+] ZINC000399694634 259601227 /nfs/dbraw/zinc/60/12/27/259601227.db2.gz VYEOVTOVVBEVJI-GXSJLCMTSA-N 1 0 209.293 1.329 10 0 BDAERO CC(C)(C)OC(=O)N1CC([C@@H]2CC[C@@H]2[NH3+])C1 ZINC000095836133 166644657 /nfs/dbraw/zinc/64/46/57/166644657.db2.gz QNLRPEHTOVOWAR-UWVGGRQHSA-N 1 0 226.320 1.591 10 0 BDAERO CO[C@H](C)CN1CCC([NH+]2CCCC2)CC1 ZINC000182066287 134341266 /nfs/dbraw/zinc/34/12/66/134341266.db2.gz JMPOHLVHHJBHGT-GFCCVEGCSA-N 1 0 226.364 1.582 10 0 BDAERO CC[NH2+]C1CCN(c2ccnc(C)n2)CC1 ZINC000054935127 535453111 /nfs/dbraw/zinc/45/31/11/535453111.db2.gz BYDOWJNLDCZPPA-UHFFFAOYSA-N 1 0 220.320 1.363 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]2(C[NH3+])C1 ZINC000072208611 166651834 /nfs/dbraw/zinc/65/18/34/166651834.db2.gz UOJGCKCHNCCMSV-SKDRFNHKSA-N 1 0 226.320 1.592 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(F)c(F)c1 ZINC000036779164 170867161 /nfs/dbraw/zinc/86/71/61/170867161.db2.gz YZPGQAJYCUKURN-ZJUUUORDSA-N 1 0 201.216 1.736 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCC[C@H](C)C1 ZINC000335025962 169500597 /nfs/dbraw/zinc/50/05/97/169500597.db2.gz WVYXKHPVPJFFPP-QWRGUYRKSA-N 1 0 212.337 1.762 10 0 BDAERO CCC[C@H]1C[C@H]1[NH2+]CC1(OC)CCOCC1 ZINC000310035865 169539000 /nfs/dbraw/zinc/53/90/00/169539000.db2.gz UEHSATARJZKRHK-NWDGAFQWSA-N 1 0 227.348 1.960 10 0 BDAERO CCC[C@](C)([NH3+])C(=O)N[C@H](CC)CSC ZINC000163315753 169548122 /nfs/dbraw/zinc/54/81/22/169548122.db2.gz NFTGVMGIPUTXRF-KOLCDFICSA-N 1 0 232.393 1.762 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+][C@@H](C2CC2)CCN1 ZINC000095931210 166673857 /nfs/dbraw/zinc/67/38/57/166673857.db2.gz WYFKIOHWIZZZID-GHMZBOCLSA-N 1 0 240.347 1.058 10 0 BDAERO CCCc1[nH+]c2cc(N)ccc2n1CC(=O)NC ZINC000052852492 169594521 /nfs/dbraw/zinc/59/45/21/169594521.db2.gz HCKDLSKPDJMARY-UHFFFAOYSA-N 1 0 246.314 1.317 10 0 BDAERO CCCc1nc2ccccc2n1CC[NH3+] ZINC000057798941 169595333 /nfs/dbraw/zinc/59/53/33/169595333.db2.gz ADZQXPJBHDZVFG-UHFFFAOYSA-N 1 0 203.289 1.948 10 0 BDAERO O=C1NC=N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]12 ZINC000087489348 383845880 /nfs/dbraw/zinc/84/58/80/383845880.db2.gz UCMFKIXRJBDWLN-CHWSQXEVSA-N 1 0 243.310 1.035 10 0 BDAERO CC[C@H]1CCN(C(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000643733390 383867207 /nfs/dbraw/zinc/86/72/07/383867207.db2.gz BIRJTRASJOCTRE-AAEUAGOBSA-N 1 0 240.347 1.014 10 0 BDAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000309341523 383872325 /nfs/dbraw/zinc/87/23/25/383872325.db2.gz KKOWSVCSSNZOCM-UWVGGRQHSA-N 1 0 221.304 1.036 10 0 BDAERO C[C@@H](CC1CC1)[NH2+][C@H]1CCc2nccn2C1 ZINC000371480400 383831059 /nfs/dbraw/zinc/83/10/59/383831059.db2.gz NYYQZHWFKMIFHU-JQWIXIFHSA-N 1 0 219.332 1.976 10 0 BDAERO CN(Cc1ccncc1)C[C@@H]1CCCC[NH2+]1 ZINC000036776466 383911296 /nfs/dbraw/zinc/91/12/96/383911296.db2.gz LNXIFWAQRWLYHU-ZDUSSCGKSA-N 1 0 219.332 1.656 10 0 BDAERO CCc1cccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC)c1 ZINC000067173393 383914462 /nfs/dbraw/zinc/91/44/62/383914462.db2.gz OCHSEQUKFHDNHW-OLZOCXBDSA-N 1 0 233.311 1.725 10 0 BDAERO CCOc1cc(C(N)=[NH2+])nc2ccccc21 ZINC000067173635 383916008 /nfs/dbraw/zinc/91/60/08/383916008.db2.gz MTCRRQLARMJQKV-UHFFFAOYSA-N 1 0 215.256 1.918 10 0 BDAERO [NH3+]CCc1cnc2ccc(C(F)(F)F)cn12 ZINC000036291680 383892404 /nfs/dbraw/zinc/89/24/04/383892404.db2.gz RBWAWTKNXRBLGN-UHFFFAOYSA-N 1 0 229.205 1.854 10 0 BDAERO CCN(C(=O)[C@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000643614373 383996128 /nfs/dbraw/zinc/99/61/28/383996128.db2.gz UMVLGSWPXPXASF-LBPRGKRZSA-N 1 0 248.326 1.276 10 0 BDAERO F[C@@H]1C[NH2+]CC[C@@H]1c1ccc2[nH]ccc2n1 ZINC000089221326 383950150 /nfs/dbraw/zinc/95/01/50/383950150.db2.gz YPXJCORPWOMKNX-DTWKUNHWSA-N 1 0 219.263 1.978 10 0 BDAERO Cc1ncccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000091497134 383969816 /nfs/dbraw/zinc/96/98/16/383969816.db2.gz FJGZDJMQOHERJQ-NSHDSACASA-N 1 0 233.315 1.718 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)o1 ZINC000113226646 383971419 /nfs/dbraw/zinc/97/14/19/383971419.db2.gz JGFKPKOODODAJO-CMPLNLGQSA-N 1 0 248.326 1.897 10 0 BDAERO CO[C@H]1CCC[C@H]1NC1=[NH+]CCS1 ZINC000050375877 384009715 /nfs/dbraw/zinc/00/97/15/384009715.db2.gz YIFKTVFHEKGVKO-SFYZADRCSA-N 1 0 200.307 1.246 10 0 BDAERO CCCCN(CC)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643616842 384010539 /nfs/dbraw/zinc/01/05/39/384010539.db2.gz JFZIMVPLUPVUAT-ZDUSSCGKSA-N 1 0 242.363 1.404 10 0 BDAERO Cc1ccsc1[C@@H](C)[NH2+]CC(=O)N(C)C ZINC000069636228 384055463 /nfs/dbraw/zinc/05/54/63/384055463.db2.gz UWVOUGQWCXMDDX-SECBINFHSA-N 1 0 226.345 1.795 10 0 BDAERO COC[C@@]1(C(=O)N[C@H](C)CC(C)C)CCC[NH2+]1 ZINC000643779811 384058733 /nfs/dbraw/zinc/05/87/33/384058733.db2.gz RCCCOYYLUCPEKW-DGCLKSJQSA-N 1 0 242.363 1.306 10 0 BDAERO COC[C@]1(C(=O)N[C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000643779810 384059708 /nfs/dbraw/zinc/05/97/08/384059708.db2.gz RCCCOYYLUCPEKW-AAEUAGOBSA-N 1 0 242.363 1.306 10 0 BDAERO CNc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cn1 ZINC000035426210 384064103 /nfs/dbraw/zinc/06/41/03/384064103.db2.gz OSRFUTMGRZUVGV-VIFPVBQESA-N 1 0 245.286 1.598 10 0 BDAERO CNC(=[NH2+])N[C@H]1CCCC[C@@H]1SC ZINC000234348365 384065592 /nfs/dbraw/zinc/06/55/92/384065592.db2.gz TUKXKJWBEYBDSR-YUMQZZPRSA-N 1 0 201.339 1.404 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1nc[nH]n1 ZINC000035722924 384101241 /nfs/dbraw/zinc/10/12/41/384101241.db2.gz PDTIAOAGVRUCRF-SFYZADRCSA-N 1 0 212.322 1.414 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1nc[nH]n1 ZINC000035722922 384101487 /nfs/dbraw/zinc/10/14/87/384101487.db2.gz PDTIAOAGVRUCRF-HTQZYQBOSA-N 1 0 212.322 1.414 10 0 BDAERO Cc1csc(CNc2[nH+]ccn2C)n1 ZINC000050606130 384105430 /nfs/dbraw/zinc/10/54/30/384105430.db2.gz VMALVOWBUCLKOQ-UHFFFAOYSA-N 1 0 208.290 1.797 10 0 BDAERO C[C@@H]([NH3+])c1cnc(Br)nc1 ZINC000039121225 384105585 /nfs/dbraw/zinc/10/55/85/384105585.db2.gz VWFPJRNUJAIEFO-SCSAIBSYSA-N 1 0 202.055 1.259 10 0 BDAERO CC(C)(C)OC(=O)[C@H](O)C[C@@H]([NH3+])C(C)(C)C ZINC000091368759 384123795 /nfs/dbraw/zinc/12/37/95/384123795.db2.gz WJZFYQJUAVWVPT-RKDXNWHRSA-N 1 0 231.336 1.453 10 0 BDAERO Cn1cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000116311599 384127579 /nfs/dbraw/zinc/12/75/79/384127579.db2.gz SZEIFZNHMWAHHY-LBPRGKRZSA-N 1 0 245.330 1.143 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC000071140089 384152582 /nfs/dbraw/zinc/15/25/82/384152582.db2.gz RNUCDYXKRUATSG-JTQLQIEISA-N 1 0 234.299 1.168 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)o1 ZINC000091667156 384138293 /nfs/dbraw/zinc/13/82/93/384138293.db2.gz CCMIITXGTWLJNM-NEPJUHHUSA-N 1 0 238.331 1.569 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000091667015 384138482 /nfs/dbraw/zinc/13/84/82/384138482.db2.gz MBLDJKXSFLDXSK-ZFWWWQNUSA-N 1 0 248.370 1.976 10 0 BDAERO COC[C@]1(C(=O)NC[C@@H](C)C(C)C)CCC[NH2+]1 ZINC000643710304 384171462 /nfs/dbraw/zinc/17/14/62/384171462.db2.gz ZUCPSASHJRVHKC-YPMHNXCESA-N 1 0 242.363 1.163 10 0 BDAERO CCC(CC)CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643629283 384191688 /nfs/dbraw/zinc/19/16/88/384191688.db2.gz YSTJFKPCXLDKHW-CYBMUJFWSA-N 1 0 242.363 1.307 10 0 BDAERO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC[NH2+]C2 ZINC000072194383 384200362 /nfs/dbraw/zinc/20/03/62/384200362.db2.gz IDJDDPDWYRVJPF-VHSXEESVSA-N 1 0 226.320 1.748 10 0 BDAERO CCC[C@H](C)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082559325 384237363 /nfs/dbraw/zinc/23/73/63/384237363.db2.gz XEMFMIPKNCUKRQ-DCAQKATOSA-N 1 0 212.337 1.489 10 0 BDAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccccn1 ZINC000158558155 384243759 /nfs/dbraw/zinc/24/37/59/384243759.db2.gz DVHJYDVMMNODAP-QWHCGFSZSA-N 1 0 249.358 1.453 10 0 BDAERO Cc1c(C[NH2+][C@H](C)Cn2ccnc2)cnn1C ZINC000093649968 384259266 /nfs/dbraw/zinc/25/92/66/384259266.db2.gz OGRAEAJQZMFMNZ-SNVBAGLBSA-N 1 0 233.319 1.103 10 0 BDAERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)no1 ZINC000247556788 384280352 /nfs/dbraw/zinc/28/03/52/384280352.db2.gz ZTBMHZWQGWMDGQ-KOLCDFICSA-N 1 0 249.314 1.292 10 0 BDAERO CCc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)o1 ZINC000282455706 384288806 /nfs/dbraw/zinc/28/88/06/384288806.db2.gz STFCESOANIXYAA-SKDRFNHKSA-N 1 0 236.315 1.599 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1(O)CCC1 ZINC000335477052 384294497 /nfs/dbraw/zinc/29/44/97/384294497.db2.gz TURWUPNEMNTDAC-CHWSQXEVSA-N 1 0 238.375 1.460 10 0 BDAERO Clc1cc(SC2CC[NH2+]CC2)ncn1 ZINC000095070448 384336940 /nfs/dbraw/zinc/33/69/40/384336940.db2.gz RTSMCYHOIPDFET-UHFFFAOYSA-N 1 0 229.736 1.974 10 0 BDAERO Clc1ccnc(OC[C@H]2CCC[NH2+]2)n1 ZINC000095070160 384337467 /nfs/dbraw/zinc/33/74/67/384337467.db2.gz ZQUDWDFMVAWCIV-SSDOTTSWSA-N 1 0 213.668 1.261 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)c1cc(Cl)ncn1 ZINC000095071102 384338436 /nfs/dbraw/zinc/33/84/36/384338436.db2.gz ZDYIWDWNUBEMDJ-SECBINFHSA-N 1 0 240.738 1.566 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000095070820 384338571 /nfs/dbraw/zinc/33/85/71/384338571.db2.gz LOGMIQXHTKYDNR-VIFPVBQESA-N 1 0 211.334 1.721 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)C(=O)c1ccsc1 ZINC000095070900 384338613 /nfs/dbraw/zinc/33/86/13/384338613.db2.gz ONAOADSWBVLRIP-JTQLQIEISA-N 1 0 224.329 1.572 10 0 BDAERO CN(CC(=O)c1ccc[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC000095071132 384338947 /nfs/dbraw/zinc/33/89/47/384338947.db2.gz OGQLGMBPHKDTJF-LLVKDONJSA-N 1 0 235.331 1.129 10 0 BDAERO CN(CC(=O)c1ccco1)C[C@H]1CCCC[NH2+]1 ZINC000095070855 384339325 /nfs/dbraw/zinc/33/93/25/384339325.db2.gz YRVFJTNZHBLOJB-LLVKDONJSA-N 1 0 236.315 1.536 10 0 BDAERO CN(Cc1ccnc(Cl)n1)C[C@@H]1CCC[NH2+]1 ZINC000095071014 384339430 /nfs/dbraw/zinc/33/94/30/384339430.db2.gz MMVXRSRYGFGXND-VIFPVBQESA-N 1 0 240.738 1.314 10 0 BDAERO Cc1ccsc1C(=O)N(C)C[C@H]1CCC[NH2+]1 ZINC000095070889 384339484 /nfs/dbraw/zinc/33/94/84/384339484.db2.gz LBYBMTOZKUIOHH-SNVBAGLBSA-N 1 0 238.356 1.881 10 0 BDAERO CN(Cc1ccc(Cl)nn1)[C@H]1CCC[NH2+]C1 ZINC000095070745 384339591 /nfs/dbraw/zinc/33/95/91/384339591.db2.gz OCOHIXHUGBMWHF-JTQLQIEISA-N 1 0 240.738 1.314 10 0 BDAERO CN(CC(=O)c1ccco1)C[C@H]1CC[NH2+]C1 ZINC000095071275 384340824 /nfs/dbraw/zinc/34/08/24/384340824.db2.gz YCIBMRLTZSPETL-JTQLQIEISA-N 1 0 222.288 1.004 10 0 BDAERO CSc1nccc(N2CCC(C[NH3+])CC2)n1 ZINC000095071846 384341192 /nfs/dbraw/zinc/34/11/92/384341192.db2.gz RJELFOZOYSIGQH-UHFFFAOYSA-N 1 0 238.360 1.374 10 0 BDAERO C[NH2+][C@@H]1CCCN(Cc2nccnc2Cl)C1 ZINC000095071507 384341198 /nfs/dbraw/zinc/34/11/98/384341198.db2.gz MIMOGADCTDGVES-SECBINFHSA-N 1 0 240.738 1.314 10 0 BDAERO CSc1nccnc1COC[C@@H]1CCC[NH2+]1 ZINC000095071948 384341588 /nfs/dbraw/zinc/34/15/88/384341588.db2.gz IQEQUXAGNVOHFT-VIFPVBQESA-N 1 0 239.344 1.467 10 0 BDAERO [NH3+][C@H]1CCCN(Cc2nccnc2Cl)C1 ZINC000095072377 384342759 /nfs/dbraw/zinc/34/27/59/384342759.db2.gz PAXJIAHSAKALDO-QMMMGPOBSA-N 1 0 226.711 1.053 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCc1ccncc1 ZINC000095072283 384342769 /nfs/dbraw/zinc/34/27/69/384342769.db2.gz UHLNJSKGNKUQNR-NWDGAFQWSA-N 1 0 205.305 1.441 10 0 BDAERO [NH3+]C[C@H]1CCCN1c1cc(Cl)ncn1 ZINC000095072596 384343285 /nfs/dbraw/zinc/34/32/85/384343285.db2.gz JTJCAAJXAHLSKY-SSDOTTSWSA-N 1 0 212.684 1.058 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1CC(=O)c1ccccn1 ZINC000095072442 384343651 /nfs/dbraw/zinc/34/36/51/384343651.db2.gz OPIZTQVOCIGHBM-NSHDSACASA-N 1 0 233.315 1.078 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1Cc1ccnc(Cl)n1 ZINC000095072456 384343886 /nfs/dbraw/zinc/34/38/86/384343886.db2.gz QLZVZYIQSQISBK-JTQLQIEISA-N 1 0 240.738 1.443 10 0 BDAERO O=C(COCC[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095072919 384344994 /nfs/dbraw/zinc/34/49/94/384344994.db2.gz ROHOCBDCXHENDO-NSHDSACASA-N 1 0 249.314 1.208 10 0 BDAERO O=C(COC[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000095072897 384345022 /nfs/dbraw/zinc/34/50/22/384345022.db2.gz AIOBOTFVJSJUGZ-SECBINFHSA-N 1 0 225.313 1.557 10 0 BDAERO O=C(COCC[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072932 384345595 /nfs/dbraw/zinc/34/55/95/384345595.db2.gz HPWYWPQILVEHME-LLVKDONJSA-N 1 0 249.314 1.066 10 0 BDAERO O=[S@@](Cc1ccncc1)C1CC[NH2+]CC1 ZINC000095073453 384347246 /nfs/dbraw/zinc/34/72/46/384347246.db2.gz ZGSFBUTUAOPOHI-OAHLLOKOSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@@](c1nccs1)C1CC[NH2+]CC1 ZINC000095073417 384348281 /nfs/dbraw/zinc/34/82/81/384348281.db2.gz OSRDTBVCAHQXGH-ZDUSSCGKSA-N 1 0 216.331 1.003 10 0 BDAERO O=[S@](c1nc2ccccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000095073394 384348351 /nfs/dbraw/zinc/34/83/51/384348351.db2.gz JZWMASVTJBGJDZ-VVVCHXIZSA-N 1 0 249.339 1.423 10 0 BDAERO O=[S@@](CC1CC[NH2+]CC1)c1ccncc1 ZINC000095073710 384350254 /nfs/dbraw/zinc/35/02/54/384350254.db2.gz GUAGABGEUVLCHM-OAHLLOKOSA-N 1 0 224.329 1.189 10 0 BDAERO FC(F)(F)N1CCC(C[NH2+]C2CC2)CC1 ZINC000095076976 384352494 /nfs/dbraw/zinc/35/24/94/384352494.db2.gz OFHVPRHRRJCARI-UHFFFAOYSA-N 1 0 222.254 1.970 10 0 BDAERO FC(F)(F)NC1CC[NH+](C2CC2)CC1 ZINC000095077035 384353162 /nfs/dbraw/zinc/35/31/62/384353162.db2.gz NMZFLMGPTKUPAN-UHFFFAOYSA-N 1 0 208.227 1.723 10 0 BDAERO Cc1cnc(CC[N@H+]2C[C@H](O)C[C@H](C)C2)c(C)c1 ZINC000335593202 384358402 /nfs/dbraw/zinc/35/84/02/384358402.db2.gz YZYRCMKJKSMUAN-GXTWGEPZSA-N 1 0 248.370 1.944 10 0 BDAERO CC(C)[NH+]1CCC(NC(F)(F)F)CC1 ZINC000095088220 384359715 /nfs/dbraw/zinc/35/97/15/384359715.db2.gz RXVIHORWAYLIBG-UHFFFAOYSA-N 1 0 210.243 1.969 10 0 BDAERO c1csc(OCCC2CC[NH2+]CC2)n1 ZINC000095092499 384360201 /nfs/dbraw/zinc/36/02/01/384360201.db2.gz YIOXCWINWWAXOW-UHFFFAOYSA-N 1 0 212.318 1.912 10 0 BDAERO CCC1(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000335594248 384360515 /nfs/dbraw/zinc/36/05/15/384360515.db2.gz WYZAYOWHCUCZRU-WDEREUQCSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccncc1 ZINC000335598880 384365328 /nfs/dbraw/zinc/36/53/28/384365328.db2.gz ZAIYMNQXOQIPGI-AAEUAGOBSA-N 1 0 247.342 1.428 10 0 BDAERO Cn1nccc1[C@H]1[C@@H](C[NH3+])CCCN1C1CC1 ZINC000159907716 384369271 /nfs/dbraw/zinc/36/92/71/384369271.db2.gz CLQJJIMBCJTEAB-ZWNOBZJWSA-N 1 0 234.347 1.294 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2CC1 ZINC000059825417 384369596 /nfs/dbraw/zinc/36/95/96/384369596.db2.gz BQMAENMWXMYUEV-QWRGUYRKSA-N 1 0 240.347 1.853 10 0 BDAERO C[C@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1cnccn1 ZINC000095068320 384329432 /nfs/dbraw/zinc/32/94/32/384329432.db2.gz VLJHWKMPVUHAHI-GARJFASQSA-N 1 0 220.320 1.397 10 0 BDAERO c1cnc2[nH]c(O[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095068069 384330632 /nfs/dbraw/zinc/33/06/32/384330632.db2.gz RQSUJXHZUJHGIK-QMMMGPOBSA-N 1 0 218.260 1.089 10 0 BDAERO Cc1ccc([S@@](=O)C[C@H]2CCC[NH2+]2)nc1 ZINC000095069058 384332101 /nfs/dbraw/zinc/33/21/01/384332101.db2.gz IFZFIIBFRWSDNB-MEBBXXQBSA-N 1 0 224.329 1.250 10 0 BDAERO Cc1cc(Cl)nc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000095068913 384332217 /nfs/dbraw/zinc/33/22/17/384332217.db2.gz XKPAEJVERWPNIQ-MRVPVSSYSA-N 1 0 226.711 1.366 10 0 BDAERO Cc1ccnc([S@@](=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000095069219 384332663 /nfs/dbraw/zinc/33/26/63/384332663.db2.gz VHIKIVXCSBFHRH-ZUZCIYMTSA-N 1 0 224.329 1.250 10 0 BDAERO Cc1ccnc([S@@](=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000095069209 384333088 /nfs/dbraw/zinc/33/30/88/384333088.db2.gz ZLNHEVXQVVSRJS-MEBBXXQBSA-N 1 0 224.329 1.250 10 0 BDAERO Cc1cc(N2CC[NH2+][C@@H](C)C2)nc(Cl)n1 ZINC000095069504 384334522 /nfs/dbraw/zinc/33/45/22/384334522.db2.gz CXZVBCOGHHNGKZ-QMMMGPOBSA-N 1 0 226.711 1.237 10 0 BDAERO Clc1cnc(S[C@@H]2CCC[NH2+]C2)nc1 ZINC000095070068 384334792 /nfs/dbraw/zinc/33/47/92/384334792.db2.gz OZJYMKPOEFXLIV-MRVPVSSYSA-N 1 0 229.736 1.974 10 0 BDAERO 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GFZRMOYVCLLSKW-UHFFFAOYSA-N 1 0 208.240 1.083 10 0 BDAERO COCc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)o1 ZINC000305154693 385200217 /nfs/dbraw/zinc/20/02/17/385200217.db2.gz VKGYEPDQAGKXKI-GWCFXTLKSA-N 1 0 239.315 1.677 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000408048170 385169025 /nfs/dbraw/zinc/16/90/25/385169025.db2.gz VUPPTFOFIIZCNH-CMPLNLGQSA-N 1 0 239.319 1.328 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC000190287060 385228696 /nfs/dbraw/zinc/22/86/96/385228696.db2.gz AIXFBYKCMQUTCE-JTQLQIEISA-N 1 0 248.330 1.063 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])c2ccsc2S1(=O)=O ZINC000307617941 385250607 /nfs/dbraw/zinc/25/06/07/385250607.db2.gz XOSMBAIDAZWPRP-IYSWYEEDSA-N 1 0 217.315 1.314 10 0 BDAERO CC(C)c1ccc(-n2cc(C[NH3+])nn2)cc1 ZINC000050224117 385312050 /nfs/dbraw/zinc/31/20/50/385312050.db2.gz ZCWNPJOZGKQZIX-UHFFFAOYSA-N 1 0 216.288 1.849 10 0 BDAERO Cc1ccc(F)cc1-n1cc(C[NH3+])nn1 ZINC000050224119 385312678 /nfs/dbraw/zinc/31/26/78/385312678.db2.gz SSHYHTVWKRIJBZ-UHFFFAOYSA-N 1 0 206.224 1.174 10 0 BDAERO [NH3+]Cc1cn(Cc2ccccc2Cl)nn1 ZINC000050224496 385313044 /nfs/dbraw/zinc/31/30/44/385313044.db2.gz JRRMOJUWTKTMGQ-UHFFFAOYSA-N 1 0 222.679 1.439 10 0 BDAERO [NH3+]CCc1cnn(Cc2ccc(F)cc2)c1 ZINC000054740834 385320367 /nfs/dbraw/zinc/32/03/67/385320367.db2.gz GKONBMNWUKDNDK-UHFFFAOYSA-N 1 0 219.263 1.572 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000052273102 385271123 /nfs/dbraw/zinc/27/11/23/385271123.db2.gz HASSIIXOBOHAIS-SCZZXKLOSA-N 1 0 205.257 1.913 10 0 BDAERO Cc1ccsc1[C@H](C)[NH2+]CCn1cncn1 ZINC000167008620 385294687 /nfs/dbraw/zinc/29/46/87/385294687.db2.gz ZZJNAFUQUJHRNM-JTQLQIEISA-N 1 0 236.344 1.999 10 0 BDAERO Cc1nc([C@H]2C[NH2+]C[C@H]2c2ccncc2)no1 ZINC000409424467 385332348 /nfs/dbraw/zinc/33/23/48/385332348.db2.gz VLUGGYJZENTSNB-QWRGUYRKSA-N 1 0 230.271 1.244 10 0 BDAERO CO[C@@H](C[NH2+][C@H](CC(C)C)CN(C)C)C1CC1 ZINC000400167583 385333341 /nfs/dbraw/zinc/33/33/41/385333341.db2.gz LNECKODKHLAKGU-KGLIPLIRSA-N 1 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235.335 1.052 10 0 BDAERO CN(C(=O)c1cccc(F)c1Cl)C1C[NH2+]C1 ZINC000165361210 385380518 /nfs/dbraw/zinc/38/05/18/385380518.db2.gz LPUPJNFYCZOOPN-UHFFFAOYSA-N 1 0 242.681 1.523 10 0 BDAERO C=Cn1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000193811930 385412631 /nfs/dbraw/zinc/41/26/31/385412631.db2.gz LAQSPAGLJQCJRR-CQSZACIVSA-N 1 0 246.358 1.654 10 0 BDAERO O=C(c1cccc(Br)c1)C1C[NH2+]C1 ZINC000259069472 385439098 /nfs/dbraw/zinc/43/90/98/385439098.db2.gz DMLSCOWYSRSCBF-UHFFFAOYSA-N 1 0 240.100 1.851 10 0 BDAERO C[C@@H]1C[C@@H](NCc2cscn2)C[N@@H+]1C ZINC000156201183 385441350 /nfs/dbraw/zinc/44/13/50/385441350.db2.gz CBFLILFDMREALB-RKDXNWHRSA-N 1 0 211.334 1.325 10 0 BDAERO C[C@H]1C[C@H](NCc2cscn2)C[N@@H+]1C ZINC000156201068 385442109 /nfs/dbraw/zinc/44/21/09/385442109.db2.gz CBFLILFDMREALB-IUCAKERBSA-N 1 0 211.334 1.325 10 0 BDAERO C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000194951577 385453265 /nfs/dbraw/zinc/45/32/65/385453265.db2.gz PPLLMHMCNJKFAM-GXSJLCMTSA-N 1 0 209.293 1.318 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000295134432 385456585 /nfs/dbraw/zinc/45/65/85/385456585.db2.gz YXYWIZZGNOQWGR-MFKMUULPSA-N 1 0 248.326 1.131 10 0 BDAERO [NH3+]Cc1snnc1-c1ccc(F)cn1 ZINC000156519661 385456751 /nfs/dbraw/zinc/45/67/51/385456751.db2.gz OPZRMGGMMOPKBY-UHFFFAOYSA-N 1 0 210.237 1.198 10 0 BDAERO Cc1noc(C)c1CC[NH2+][C@@H]1CCO[C@H]1C ZINC000121072123 385464850 /nfs/dbraw/zinc/46/48/50/385464850.db2.gz PQQLZFCDCRHMKF-CMPLNLGQSA-N 1 0 224.304 1.601 10 0 BDAERO CC(C)OCC[N@@H+]1CCC[C@H]1CCCO ZINC000052762364 385467042 /nfs/dbraw/zinc/46/70/42/385467042.db2.gz UIFJBUMIGQBPAU-LBPRGKRZSA-N 1 0 215.337 1.648 10 0 BDAERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336772210 385483762 /nfs/dbraw/zinc/48/37/62/385483762.db2.gz XWNMUIUIXJQGEH-RCWTZXSCSA-N 1 0 210.321 1.432 10 0 BDAERO Cc1ccccc1OCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000644109282 385484595 /nfs/dbraw/zinc/48/45/95/385484595.db2.gz NJPYHOBLNCOJPU-GFCCVEGCSA-N 1 0 248.326 1.100 10 0 BDAERO CCC[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000590517090 385488736 /nfs/dbraw/zinc/48/87/36/385488736.db2.gz RXGCEAUCRXFYMV-WDEREUQCSA-N 1 0 227.352 1.521 10 0 BDAERO C[S@](=N)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000616568689 385491101 /nfs/dbraw/zinc/49/11/01/385491101.db2.gz LPEWQXKMCVXDGR-MRXNPFEDSA-N 1 0 245.392 1.528 10 0 BDAERO CO[C@@H](C[NH2+]CCn1cc(C)cn1)C1CC1 ZINC000378751907 385492667 /nfs/dbraw/zinc/49/26/67/385492667.db2.gz PGHVMTGCARNUMX-LBPRGKRZSA-N 1 0 223.320 1.206 10 0 BDAERO CO[C@H](C[NH2+]CCn1cc(C)cn1)C1CC1 ZINC000378751906 385493133 /nfs/dbraw/zinc/49/31/33/385493133.db2.gz PGHVMTGCARNUMX-GFCCVEGCSA-N 1 0 223.320 1.206 10 0 BDAERO OC1CCC([N@@H+]2CCCSCC2)CC1 ZINC000157284440 385496925 /nfs/dbraw/zinc/49/69/25/385496925.db2.gz ISENTVXKQWONJG-UHFFFAOYSA-N 1 0 215.362 1.729 10 0 BDAERO CC[C@H]1CN(c2ncnc3[nH]ccc32)CC[C@H]1[NH3+] ZINC000643033505 385535309 /nfs/dbraw/zinc/53/53/09/385535309.db2.gz ODFACMCWKKFNKL-GXSJLCMTSA-N 1 0 245.330 1.522 10 0 BDAERO [NH3+]C1([C@@H](O)c2ccc(Br)cc2)CC1 ZINC000258179721 385546265 /nfs/dbraw/zinc/54/62/65/385546265.db2.gz HCHCHQBECPEYDG-VIFPVBQESA-N 1 0 242.116 1.974 10 0 BDAERO CCc1nsc(N2CCC(C)([NH3+])CC2)n1 ZINC000643029338 385523716 /nfs/dbraw/zinc/52/37/16/385523716.db2.gz QHKIONJOKQIENL-UHFFFAOYSA-N 1 0 226.349 1.418 10 0 BDAERO c1ccc2nnc([C@H]3C[NH2+]CCO3)cc2c1 ZINC000259533306 385569197 /nfs/dbraw/zinc/56/91/97/385569197.db2.gz QMFVTTIGAKRXEI-GFCCVEGCSA-N 1 0 215.256 1.291 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C[C@@H](C)O)C1(C)C ZINC000309475120 385596721 /nfs/dbraw/zinc/59/67/21/385596721.db2.gz ROOPFDXLNWAJQO-PZWNZHSQSA-N 1 0 229.364 1.795 10 0 BDAERO C[C@@H]1C[C@H](c2cccs2)CN1C(=O)C[NH3+] ZINC000309475081 385597466 /nfs/dbraw/zinc/59/74/66/385597466.db2.gz RUOZAERZIJHUTB-BDAKNGLRSA-N 1 0 224.329 1.411 10 0 BDAERO [NH3+][C@H]1CC[C@@H](OC(=O)C(F)(F)F)CC1 ZINC000250537520 385602011 /nfs/dbraw/zinc/60/20/11/385602011.db2.gz ZTSNKSLPQUTQAU-OLQVQODUSA-N 1 0 211.183 1.362 10 0 BDAERO CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000408161004 385581130 /nfs/dbraw/zinc/58/11/30/385581130.db2.gz KZHRFZKUVBJHRA-UTUOFQBUSA-N 1 0 240.347 1.141 10 0 BDAERO c1nc(CCN2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000250780948 385608791 /nfs/dbraw/zinc/60/87/91/385608791.db2.gz RUWOLFIBCAQXPY-LBPRGKRZSA-N 1 0 237.372 1.466 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000055421594 385643053 /nfs/dbraw/zinc/64/30/53/385643053.db2.gz PLQGLNIOJGKHRC-SSDOTTSWSA-N 1 0 212.680 1.886 10 0 BDAERO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)[C@H](C)CO ZINC000252837292 385661413 /nfs/dbraw/zinc/66/14/13/385661413.db2.gz AXSGULNUCSZDLY-BZPMIXESSA-N 1 0 237.343 1.501 10 0 BDAERO FC1(F)CCC[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000307152727 385662130 /nfs/dbraw/zinc/66/21/30/385662130.db2.gz AMKDIYGKYKBDCE-DTWKUNHWSA-N 1 0 204.264 1.373 10 0 BDAERO Cc1ccc2c(c1)CC(=O)N2C[C@H]1C[C@@H]1[NH3+] ZINC000211938608 385701204 /nfs/dbraw/zinc/70/12/04/385701204.db2.gz WOBQUWWQRASFQH-MNOVXSKESA-N 1 0 216.284 1.231 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000309594568 385718252 /nfs/dbraw/zinc/71/82/52/385718252.db2.gz HZBFUWKNLSPRLF-UFGOTCBOSA-N 1 0 224.348 1.678 10 0 BDAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C ZINC000307568136 385704573 /nfs/dbraw/zinc/70/45/73/385704573.db2.gz VLJANPAIVHNVSP-QCLAVDOMSA-N 1 0 201.335 1.647 10 0 BDAERO CSCC[N@@H+]1CCC[C@H]1CCCO ZINC000122638248 385710729 /nfs/dbraw/zinc/71/07/29/385710729.db2.gz YAGQBZIFJBDBEF-JTQLQIEISA-N 1 0 203.351 1.586 10 0 BDAERO C[C@@H](C[NH2+]C[C@@H]1CCSC1)N1CCOCC1 ZINC000309530336 385666638 /nfs/dbraw/zinc/66/66/38/385666638.db2.gz DGRZOOYSKIREBY-RYUDHWBXSA-N 1 0 244.404 1.050 10 0 BDAERO [NH3+]Cc1ccoc1CN1CCSCC1 ZINC000052425562 385733572 /nfs/dbraw/zinc/73/35/72/385733572.db2.gz PFJWCTUBONZKCL-UHFFFAOYSA-N 1 0 212.318 1.287 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(F)c(F)cc1F ZINC000061094406 385736517 /nfs/dbraw/zinc/73/65/17/385736517.db2.gz FCAQBOPFCWOELF-RXMQYKEDSA-N 1 0 232.205 1.650 10 0 BDAERO C[C@]1(C[NH3+])CCN(c2ccc3nccnc3n2)C1 ZINC000235735852 259675246 /nfs/dbraw/zinc/67/52/46/259675246.db2.gz TVTXYIONWSQUTN-CYBMUJFWSA-N 1 0 243.314 1.200 10 0 BDAERO CC[C@H]1CC[C@@H]1[NH2+]CCn1cc(C)cn1 ZINC000336736717 385753031 /nfs/dbraw/zinc/75/30/31/385753031.db2.gz PPLIBOAXTODCDL-RYUDHWBXSA-N 1 0 207.321 1.970 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000282389949 385758405 /nfs/dbraw/zinc/75/84/05/385758405.db2.gz OXSCIXJWBFNJRS-CMPLNLGQSA-N 1 0 218.300 1.443 10 0 BDAERO [NH3+][C@H]1CC[C@H](CC(=O)c2ccsn2)C1 ZINC000306812556 385804781 /nfs/dbraw/zinc/80/47/81/385804781.db2.gz ZMBMZBJLIYRMOD-YUMQZZPRSA-N 1 0 210.302 1.843 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)C1CC1 ZINC000186942420 385819047 /nfs/dbraw/zinc/81/90/47/385819047.db2.gz MOGVMBPSZYRJDE-ZJUUUORDSA-N 1 0 245.388 1.588 10 0 BDAERO COC(=O)N1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000616636598 385831785 /nfs/dbraw/zinc/83/17/85/385831785.db2.gz VRSYTYZOTJSJTK-NSHDSACASA-N 1 0 238.262 1.538 10 0 BDAERO CC1(C)CN(C(=O)C(F)(F)F)CC[C@H]1[NH3+] ZINC000306828315 385840959 /nfs/dbraw/zinc/84/09/59/385840959.db2.gz FTBNECXWUZJDGD-ZCFIWIBFSA-N 1 0 224.226 1.135 10 0 BDAERO CCN(CC)c1ncc2c(n1)CC[C@@H]([NH3+])C2 ZINC000215683393 385849129 /nfs/dbraw/zinc/84/91/29/385849129.db2.gz YGWYNGQGSCKUPE-SNVBAGLBSA-N 1 0 220.320 1.139 10 0 BDAERO C[C@H]([NH3+])[C@@](C)(F)c1c(Cl)cnn1C ZINC000307317887 385850881 /nfs/dbraw/zinc/85/08/81/385850881.db2.gz PLUXGOQZCARNMI-YLWLKBPMSA-N 1 0 205.664 1.605 10 0 BDAERO Clc1nccnc1NCC[NH+]1CCCC1 ZINC000054109629 385850872 /nfs/dbraw/zinc/85/08/72/385850872.db2.gz JJVFYGCVIAPPFB-UHFFFAOYSA-N 1 0 226.711 1.638 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000215985231 385855034 /nfs/dbraw/zinc/85/50/34/385855034.db2.gz SDXCPFFWVANAKU-OLZOCXBDSA-N 1 0 249.310 1.561 10 0 BDAERO C1OCC1[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000309686244 385789223 /nfs/dbraw/zinc/78/92/23/385789223.db2.gz OGDYHBDBYZZFGE-IJLUTSLNSA-N 1 0 223.316 1.323 10 0 BDAERO C[C@@H]1CC[C@H](N[C@@H]2CC[NH2+]C2)CS1 ZINC000575535468 385905572 /nfs/dbraw/zinc/90/55/72/385905572.db2.gz VPZCFIIILCTJSJ-BBBLOLIVSA-N 1 0 200.351 1.222 10 0 BDAERO COC1([C@H]2[NH2+]CCCS2)CCCC1 ZINC000307094307 385905681 /nfs/dbraw/zinc/90/56/81/385905681.db2.gz DWCDXASKMJDSKR-VIFPVBQESA-N 1 0 201.335 1.998 10 0 BDAERO Cc1c(C[NH2+][C@@H]2CSC2(C)C)cnn1C ZINC000282625940 385924160 /nfs/dbraw/zinc/92/41/60/385924160.db2.gz FZDRLZQYMNSPKD-SNVBAGLBSA-N 1 0 225.361 1.712 10 0 BDAERO FC1(F)CCC[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000335035750 385926727 /nfs/dbraw/zinc/92/67/27/385926727.db2.gz YPWLDECCPYKRAI-DTWKUNHWSA-N 1 0 204.264 1.516 10 0 BDAERO CC(C)=CC[NH2+]Cc1ccnc(N(C)C)n1 ZINC000336768983 385976072 /nfs/dbraw/zinc/97/60/72/385976072.db2.gz RESWSBWNCOQCAM-UHFFFAOYSA-N 1 0 220.320 1.598 10 0 BDAERO [NH3+][C@]1(c2cncs2)CCCSC1 ZINC000575554142 385985164 /nfs/dbraw/zinc/98/51/64/385985164.db2.gz DHZVRJQPTDJTNJ-MRVPVSSYSA-N 1 0 200.332 1.824 10 0 BDAERO CC[C@@H](COC)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336748901 385989249 /nfs/dbraw/zinc/98/92/49/385989249.db2.gz YIKRJJWGUPDFHM-RYUDHWBXSA-N 1 0 227.348 1.818 10 0 BDAERO Cc1[nH+]ccc(N[C@@H]2CCCNC2=O)c1Cl ZINC000334508691 385931348 /nfs/dbraw/zinc/93/13/48/385931348.db2.gz PMOFDKWCXJXGMN-SECBINFHSA-N 1 0 239.706 1.156 10 0 BDAERO COC(=O)[C@@]1(c2cccc(F)c2)CC[NH2+]C1 ZINC000260776784 385952848 /nfs/dbraw/zinc/95/28/48/385952848.db2.gz SIVVLMSXPJSUNP-LBPRGKRZSA-N 1 0 223.247 1.230 10 0 BDAERO CCN(C(=O)[C@H]1CCC[NH2+][C@@H]1C)C1CCC1 ZINC000335054983 385953215 /nfs/dbraw/zinc/95/32/15/385953215.db2.gz PKGMARBJRUTLBI-PWSUYJOCSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)[C@H]1C[C@H]1C ZINC000414106415 385967925 /nfs/dbraw/zinc/96/79/25/385967925.db2.gz QVMLFZQJFLOEPF-XAVMHZPKSA-N 1 0 225.254 1.934 10 0 BDAERO CC(C)OCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113269346 386006948 /nfs/dbraw/zinc/00/69/48/386006948.db2.gz HKFUEZKQURHDJX-QWHCGFSZSA-N 1 0 226.364 1.580 10 0 BDAERO COC(=O)[C@@]1(c2ccc(C)cc2)CC[NH2+]C1 ZINC000261260034 386018309 /nfs/dbraw/zinc/01/83/09/386018309.db2.gz DZYXVONDWNODKG-ZDUSSCGKSA-N 1 0 219.284 1.399 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cccn1 ZINC000113271375 386019887 /nfs/dbraw/zinc/01/98/87/386019887.db2.gz YSEXPAIWCOZECF-QWHCGFSZSA-N 1 0 234.347 1.052 10 0 BDAERO C[C@H]([NH3+])Cc1nc2c(s1)CSCC2 ZINC000054161077 386115649 /nfs/dbraw/zinc/11/56/49/386115649.db2.gz XSCOQEDJFFVZLQ-LURJTMIESA-N 1 0 214.359 1.822 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CCS[C@@H](C)C1 ZINC000336642593 386080513 /nfs/dbraw/zinc/08/05/13/386080513.db2.gz BIMDEZBXIFIZIU-UWVGGRQHSA-N 1 0 203.351 1.585 10 0 BDAERO C[NH2+][C@@](C)(CO)c1cc(F)ccc1F ZINC000038121057 386122873 /nfs/dbraw/zinc/12/28/73/386122873.db2.gz PRQMNWXHSMPYSJ-JTQLQIEISA-N 1 0 201.216 1.392 10 0 BDAERO CCC[C@H]([NH3+])c1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000310216306 386165229 /nfs/dbraw/zinc/16/52/29/386165229.db2.gz IRZLVXFIOYTYIL-ONGXEEELSA-N 1 0 240.351 1.485 10 0 BDAERO Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)nc(C)n1 ZINC000310404977 386178223 /nfs/dbraw/zinc/17/82/23/386178223.db2.gz VLPDMOPOGODREG-NOZJJQNGSA-N 1 0 234.347 1.515 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](S[C@H]2CCOC2)C1 ZINC000575575980 386188281 /nfs/dbraw/zinc/18/82/81/386188281.db2.gz OOIDOSMRSDKIPX-UTLUCORTSA-N 1 0 201.335 1.778 10 0 BDAERO C[C@]([NH3+])(CO)c1ccc(F)c(Cl)c1 ZINC000038124639 386124519 /nfs/dbraw/zinc/12/45/19/386124519.db2.gz WOSRPDVXQREJAP-VIFPVBQESA-N 1 0 203.644 1.645 10 0 BDAERO c1nnc(C2CC[NH2+]CC2)n1C1CCCC1 ZINC000054526416 386127839 /nfs/dbraw/zinc/12/78/39/386127839.db2.gz DQBTWBGKLTXTKY-UHFFFAOYSA-N 1 0 220.320 1.860 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)NC ZINC000336730375 386205684 /nfs/dbraw/zinc/20/56/84/386205684.db2.gz IGAVQAZRCRIMHB-WDEREUQCSA-N 1 0 248.392 1.094 10 0 BDAERO [NH3+]CCCn1cc(-c2ccc3c(c2)CCO3)cn1 ZINC000311127472 386235509 /nfs/dbraw/zinc/23/55/09/386235509.db2.gz IKQFAOMUWLJBHQ-UHFFFAOYSA-N 1 0 243.310 1.834 10 0 BDAERO C[C@H]([NH3+])c1nnc2ccc(-c3cccs3)nn21 ZINC000058021827 386291484 /nfs/dbraw/zinc/29/14/84/386291484.db2.gz URJANMKJJASHJN-ZETCQYMHSA-N 1 0 245.311 1.873 10 0 BDAERO CCC1(CC)[C@H]([NH2+][C@H](C)CO)[C@H](C)[C@@H]1OC ZINC000336723156 386277863 /nfs/dbraw/zinc/27/78/63/386277863.db2.gz DWHMVMLGEHQALB-KXNHARMFSA-N 1 0 229.364 1.797 10 0 BDAERO C[C@H](CC1CC1)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336774645 386356795 /nfs/dbraw/zinc/35/67/95/386356795.db2.gz ZMWXFOMRJTUSSJ-KKZNHRDASA-N 1 0 210.321 1.432 10 0 BDAERO CNc1nc(CC[NH+](C)C)nc2ccccc21 ZINC000001293354 386328128 /nfs/dbraw/zinc/32/81/28/386328128.db2.gz OQVDXKJSPQEMJA-UHFFFAOYSA-N 1 0 230.315 1.776 10 0 BDAERO CC(C)[NH+]1CCC(N)(C(=O)OC(C)(C)C)CC1 ZINC000521400608 386443915 /nfs/dbraw/zinc/44/39/15/386443915.db2.gz NCBMHJRKUCESNX-UHFFFAOYSA-N 1 0 242.363 1.530 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCOCCO ZINC000336732449 386403311 /nfs/dbraw/zinc/40/33/11/386403311.db2.gz JNXLUEDNEWQCDI-OLZOCXBDSA-N 1 0 229.364 1.944 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]CCS1 ZINC000521399183 386426988 /nfs/dbraw/zinc/42/69/88/386426988.db2.gz LBQCTXPMCLLBKT-SSDOTTSWSA-N 1 0 203.307 1.033 10 0 BDAERO CC(C)OCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399230419 386461855 /nfs/dbraw/zinc/46/18/55/386461855.db2.gz BXNDHGFBWSHEIW-GHMZBOCLSA-N 1 0 201.310 1.257 10 0 BDAERO OC1(C[NH+]2CCN(c3ccccn3)CC2)CCC1 ZINC000336727389 386464651 /nfs/dbraw/zinc/46/46/51/386464651.db2.gz MBXLZIBTQYSWDS-UHFFFAOYSA-N 1 0 247.342 1.119 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cnn(C(C)C)c1 ZINC000061683590 386535643 /nfs/dbraw/zinc/53/56/43/386535643.db2.gz LEMWPEBWWPZYDY-MRVPVSSYSA-N 1 0 210.281 1.010 10 0 BDAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262624988 386538292 /nfs/dbraw/zinc/53/82/92/386538292.db2.gz LGDYBWOACNUCIP-NNYUYHANSA-N 1 0 240.347 1.045 10 0 BDAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262624987 386539808 /nfs/dbraw/zinc/53/98/08/386539808.db2.gz LGDYBWOACNUCIP-FIQHERPVSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@@H](C[NH2+]CCC(C)(C)C)N1CCOCC1 ZINC000187644103 386566343 /nfs/dbraw/zinc/56/63/43/386566343.db2.gz JJPMRUPXTVJTMZ-LBPRGKRZSA-N 1 0 228.380 1.733 10 0 BDAERO COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CCO ZINC000336758168 386625362 /nfs/dbraw/zinc/62/53/62/386625362.db2.gz IEGXNSIUNZSVLJ-GHMZBOCLSA-N 1 0 229.320 1.080 10 0 BDAERO CCC[C@H](C(=O)N[C@H]1CC=CCC1)[NH+](C)C ZINC000179380815 386637705 /nfs/dbraw/zinc/63/77/05/386637705.db2.gz FYLILEMEZAFRCU-NWDGAFQWSA-N 1 0 224.348 1.942 10 0 BDAERO c1ccc2c(c1)nncc2[C@@H]1C[NH2+]CCOC1 ZINC000616593307 386647212 /nfs/dbraw/zinc/64/72/12/386647212.db2.gz JGLKGBSKVKLZJV-SNVBAGLBSA-N 1 0 229.283 1.333 10 0 BDAERO C[C@H]1CN(C(=O)CCc2ccccc2O)C[C@@H]1[NH3+] ZINC000335515079 386652083 /nfs/dbraw/zinc/65/20/83/386652083.db2.gz GSNHSJVJNMNSKP-JQWIXIFHSA-N 1 0 248.326 1.130 10 0 BDAERO C[C@H]1CN(C(=O)CCc2ccccc2O)C[C@H]1[NH3+] ZINC000335515078 386652746 /nfs/dbraw/zinc/65/27/46/386652746.db2.gz GSNHSJVJNMNSKP-CMPLNLGQSA-N 1 0 248.326 1.130 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ncnn3C2)[C@H]1C ZINC000336781590 386603397 /nfs/dbraw/zinc/60/33/97/386603397.db2.gz VBWPBNPYDAZJCM-YTWAJWBKSA-N 1 0 220.320 1.227 10 0 BDAERO CCc1csc(NC(=O)C(C)(C)[NH3+])n1 ZINC000307397965 386608881 /nfs/dbraw/zinc/60/88/81/386608881.db2.gz RYCKFRIKJVGMPL-UHFFFAOYSA-N 1 0 213.306 1.381 10 0 BDAERO Cc1cccc(OCC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000335483626 386711639 /nfs/dbraw/zinc/71/16/39/386711639.db2.gz PGTGPKMYMOXRSB-YPMHNXCESA-N 1 0 248.326 1.179 10 0 BDAERO CCC(NC(=O)[C@@H]1CC[NH2+]C1)(C1CC1)C1CC1 ZINC000638507828 386730214 /nfs/dbraw/zinc/73/02/14/386730214.db2.gz BJCABXGPKPJGOB-SNVBAGLBSA-N 1 0 236.359 1.681 10 0 BDAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000647965044 386748585 /nfs/dbraw/zinc/74/85/85/386748585.db2.gz CVARRJHOSXDQCI-YVECIDJPSA-N 1 0 227.348 1.647 10 0 BDAERO CCc1cc(CC)nc(NC[C@@H]([NH3+])CC)n1 ZINC000336665486 386772652 /nfs/dbraw/zinc/77/26/52/386772652.db2.gz PNTHWHJICDXOMA-VIFPVBQESA-N 1 0 222.336 1.173 10 0 BDAERO c1cnc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cn1 ZINC000648070162 386776614 /nfs/dbraw/zinc/77/66/14/386776614.db2.gz CJFXQGGSKIGJKS-MVWJERBFSA-N 1 0 203.289 1.755 10 0 BDAERO [NH3+][C@H]1C[C@@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000647908711 386782350 /nfs/dbraw/zinc/78/23/50/386782350.db2.gz BBHVJJSKFXRHLU-LOCJCKDOSA-N 1 0 248.370 1.665 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN[C@H]1C ZINC000396599999 386784300 /nfs/dbraw/zinc/78/43/00/386784300.db2.gz MVZUKEXAFHFCGR-RHYQMDGZSA-N 1 0 212.337 1.142 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN[C@H]1C ZINC000396599997 386786039 /nfs/dbraw/zinc/78/60/39/386786039.db2.gz MVZUKEXAFHFCGR-NOOOWODRSA-N 1 0 212.337 1.142 10 0 BDAERO C[C@]12CCCC[C@H]1CN2C(=O)[C@H]1CCC[NH2+]C1 ZINC000638754884 386824884 /nfs/dbraw/zinc/82/48/84/386824884.db2.gz CHTDTUWMAMKELJ-OBJOEFQTSA-N 1 0 236.359 1.777 10 0 BDAERO CC(C)(C)CC[N@@H+]1CC[C@@H](n2ccnn2)C1 ZINC000585378918 386852281 /nfs/dbraw/zinc/85/22/81/386852281.db2.gz BKGRFOJQRXBZHM-LLVKDONJSA-N 1 0 222.336 1.961 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1csc(C2CC2)n1 ZINC000334844881 386891930 /nfs/dbraw/zinc/89/19/30/386891930.db2.gz VZHAMTFYAIOKRS-KCJUWKMLSA-N 1 0 237.372 1.942 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399478253 386963767 /nfs/dbraw/zinc/96/37/67/386963767.db2.gz YEVHTJMLJMMKAB-USZNOCQGSA-N 1 0 226.364 1.911 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)[C@@H](C)O1 ZINC000395181440 386970694 /nfs/dbraw/zinc/97/06/94/386970694.db2.gz SRBLZXJQSFWLMW-LBELIVKGSA-N 1 0 227.348 1.693 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2C1 ZINC000398772416 386988557 /nfs/dbraw/zinc/98/85/57/386988557.db2.gz LAUOIBPGIVJGSW-YNEHKIRRSA-N 1 0 209.333 1.879 10 0 BDAERO Cn1cc(CC[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cn1 ZINC000398822768 387001526 /nfs/dbraw/zinc/00/15/26/387001526.db2.gz ZSNVNCRZKBIDGH-MELADBBJSA-N 1 0 249.358 1.055 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2C1 ZINC000398686185 386948361 /nfs/dbraw/zinc/94/83/61/386948361.db2.gz BAANVMSCOCLEOQ-YNEHKIRRSA-N 1 0 209.333 1.879 10 0 BDAERO C[NH2+][C@@H]1CCCN(C2CCSCC2)C1 ZINC000053201876 387019600 /nfs/dbraw/zinc/01/96/00/387019600.db2.gz RDQWETJOYQUXHQ-SNVBAGLBSA-N 1 0 214.378 1.566 10 0 BDAERO [NH3+][C@@H]1COC[C@@H]1Cc1sccc1Cl ZINC000575458004 387022552 /nfs/dbraw/zinc/02/25/52/387022552.db2.gz WIZNHFRABDXYDQ-POYBYMJQSA-N 1 0 217.721 1.918 10 0 BDAERO O=C(CC1CCC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186510007 387107130 /nfs/dbraw/zinc/10/71/30/387107130.db2.gz QSFJDQVKWOHEEP-LBPRGKRZSA-N 1 0 236.359 1.920 10 0 BDAERO O=C(C1CCCC1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186528179 387108294 /nfs/dbraw/zinc/10/82/94/387108294.db2.gz CQRCOIHDQYPPSX-GFCCVEGCSA-N 1 0 236.359 1.920 10 0 BDAERO Cc1occc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000321350076 387126420 /nfs/dbraw/zinc/12/64/20/387126420.db2.gz BUBXVOOBLSEUPM-KCJUWKMLSA-N 1 0 222.288 1.345 10 0 BDAERO CC1(C)C[C@@H](S[C@@H]2CC[NH2+]C2)CO1 ZINC000575586403 387145160 /nfs/dbraw/zinc/14/51/60/387145160.db2.gz ZLRKBJJIRSOUNG-RKDXNWHRSA-N 1 0 201.335 1.649 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1C/C(Cl)=C/Cl ZINC000575587223 387157845 /nfs/dbraw/zinc/15/78/45/387157845.db2.gz CNGNPVKYMURGRB-JZTJKMFTSA-N 1 0 209.120 1.727 10 0 BDAERO CC1(c2ccc(C(N)=[NH2+])cc2)OCCO1 ZINC000536957937 387171834 /nfs/dbraw/zinc/17/18/34/387171834.db2.gz GHWFRPKJPYKLGU-UHFFFAOYSA-N 1 0 206.245 1.190 10 0 BDAERO CON(C)C(=O)c1cccc([C@H]2C[NH2+][C@H](C)C2)c1 ZINC000536960356 387172548 /nfs/dbraw/zinc/17/25/48/387172548.db2.gz ZYKQJHLXUDIJRM-ZWNOBZJWSA-N 1 0 248.326 1.785 10 0 BDAERO CC[C@@H]1COC[C@]12[NH2+]C[C@H](C)CS2 ZINC000575479217 387175883 /nfs/dbraw/zinc/17/58/83/387175883.db2.gz CGUUBHOSHVZKKT-IVZWLZJFSA-N 1 0 201.335 1.712 10 0 BDAERO CC[C@]1(C(=O)N(C)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000062901270 387179221 /nfs/dbraw/zinc/17/92/21/387179221.db2.gz WOWRNIFONSKNIL-AAEUAGOBSA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@@H]([NH3+])c1csc(-c2cn[nH]c2)n1 ZINC000306209399 387190027 /nfs/dbraw/zinc/19/00/27/387190027.db2.gz SLPZIBWUNBPDTA-SSDOTTSWSA-N 1 0 208.290 1.943 10 0 BDAERO CCC[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300415569 387206824 /nfs/dbraw/zinc/20/68/24/387206824.db2.gz WKSFDCSZEIKTBI-SFTQSGBHSA-N 1 0 241.375 1.941 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187791629 387213195 /nfs/dbraw/zinc/21/31/95/387213195.db2.gz CWUYVJGKBAIBDF-RYUDHWBXSA-N 1 0 241.379 1.624 10 0 BDAERO C[C@@H]1COC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000575485051 387253996 /nfs/dbraw/zinc/25/39/96/387253996.db2.gz YAUKNFZGLUTZAP-RISCZKNCSA-N 1 0 245.326 1.432 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)OC(C)(C)C ZINC000575488277 387256206 /nfs/dbraw/zinc/25/62/06/387256206.db2.gz XHQWAUPWUGBDCT-UTLUCORTSA-N 1 0 228.336 1.992 10 0 BDAERO O=C(NC1CCCCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188197196 387257299 /nfs/dbraw/zinc/25/72/99/387257299.db2.gz LTEWOVBMINBMBM-GXSJLCMTSA-N 1 0 228.311 1.525 10 0 BDAERO Cc1cnn(CC[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000301314104 387258034 /nfs/dbraw/zinc/25/80/34/387258034.db2.gz OIRKOHPHYUJRJE-ZDUSSCGKSA-N 1 0 237.347 1.428 10 0 BDAERO Cn1nc(Br)cc1[C@H]1C[C@H]1C[NH3+] ZINC000575502899 387357795 /nfs/dbraw/zinc/35/77/95/387357795.db2.gz XUVOMPAWYLEXAI-WDSKDSINSA-N 1 0 230.109 1.245 10 0 BDAERO C[C@H]([NH3+])[C@@](C)(F)c1cnc(Cl)n1C ZINC000575507300 387374764 /nfs/dbraw/zinc/37/47/64/387374764.db2.gz LTFMDRIJCMYHAX-YLWLKBPMSA-N 1 0 205.664 1.605 10 0 BDAERO C[C@H]([NH3+])[C@](C)(F)c1cnc(Cl)n1C ZINC000575507298 387376027 /nfs/dbraw/zinc/37/60/27/387376027.db2.gz LTFMDRIJCMYHAX-XNCJUZBTSA-N 1 0 205.664 1.605 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000393144090 387346896 /nfs/dbraw/zinc/34/68/96/387346896.db2.gz GEOBEAKCCJHPKI-WHOHXGKFSA-N 1 0 213.321 1.569 10 0 BDAERO c1ccc2c(c1)CCC[C@@H]2NC1=[NH+]CCN1 ZINC000002037335 387347003 /nfs/dbraw/zinc/34/70/03/387347003.db2.gz YSFYKBDQXKNRPP-LBPRGKRZSA-N 1 0 215.300 1.613 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1cnn(C)c1Cl ZINC000575520611 387448114 /nfs/dbraw/zinc/44/81/14/387448114.db2.gz DEGHNNRPXDWYMS-PHDIDXHHSA-N 1 0 202.689 1.221 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](Cn2nncc2Br)C1 ZINC000575523313 387452585 /nfs/dbraw/zinc/45/25/85/387452585.db2.gz JRBFOSLWYKEQMI-RNFRBKRXSA-N 1 0 245.124 1.168 10 0 BDAERO CO[C@]1(C)C[C@H]1NC1=[NH+][C@H](C)CS1 ZINC000575521611 387454809 /nfs/dbraw/zinc/45/48/09/387454809.db2.gz BNJHSMFTFUVHNM-ZXFLCMHBSA-N 1 0 200.307 1.245 10 0 BDAERO C[C@H](Oc1ccccc1)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423958903 387458076 /nfs/dbraw/zinc/45/80/76/387458076.db2.gz QYIXXIQOUBWAQC-GVXVVHGQSA-N 1 0 248.326 1.260 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1cncc(Br)c1 ZINC000575513654 387388108 /nfs/dbraw/zinc/38/81/08/387388108.db2.gz DPXRKTRKNCYTHN-QMMMGPOBSA-N 1 0 242.120 1.382 10 0 BDAERO C[C@@H]1CC[C@H](C)N1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000515500056 387390928 /nfs/dbraw/zinc/39/09/28/387390928.db2.gz PJHRISVMOCXFAR-TUAOUCFPSA-N 1 0 224.348 1.776 10 0 BDAERO CC1(C)CCSC[C@@]12C[C@H]([NH3+])CO2 ZINC000575508733 387392097 /nfs/dbraw/zinc/39/20/97/387392097.db2.gz OCPPSKWBSLWTOD-WPRPVWTQSA-N 1 0 201.335 1.636 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@@](=O)C[C@H](C)C[NH2+]1 ZINC000306569284 387398556 /nfs/dbraw/zinc/39/85/56/387398556.db2.gz WGOIKMCCJRZVSB-BFVZDQMLSA-N 1 0 217.378 1.779 10 0 BDAERO COC(=O)[C@H](C)[N@H+](C)C[C@H]1CCSC1 ZINC000361183061 387412067 /nfs/dbraw/zinc/41/20/67/387412067.db2.gz MSMXHOAEAPSJNT-DTWKUNHWSA-N 1 0 217.334 1.233 10 0 BDAERO Cc1cnn([C@H]2CCC[N@H+](CCCCO)C2)c1 ZINC000105923296 387525080 /nfs/dbraw/zinc/52/50/80/387525080.db2.gz PHKDTUKCZJKMDS-ZDUSSCGKSA-N 1 0 237.347 1.601 10 0 BDAERO CC[C@H]([NH3+])CNc1ccc(OC(F)F)cn1 ZINC000327759597 387587217 /nfs/dbraw/zinc/58/72/17/387587217.db2.gz NMRZMYJUOOWFSI-ZETCQYMHSA-N 1 0 231.246 1.832 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCC(C)C)C[C@@H](C)O1 ZINC000123653925 387588840 /nfs/dbraw/zinc/58/88/40/387588840.db2.gz VCGINPGTIHEYMZ-GHMZBOCLSA-N 1 0 229.320 1.295 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2O)CS1 ZINC000575544594 387626086 /nfs/dbraw/zinc/62/60/86/387626086.db2.gz GPZJRGAVMPTVTQ-RGOKHQFPSA-N 1 0 201.335 1.383 10 0 BDAERO [NH3+]CC(=O)Cc1coc(Br)c1 ZINC000306290331 387551345 /nfs/dbraw/zinc/55/13/45/387551345.db2.gz PZVUTEKEUBGDKU-UHFFFAOYSA-N 1 0 218.050 1.112 10 0 BDAERO C[C@@H]1CS[C@@](C)(C[C@H]2CCCO2)[NH2+]1 ZINC000575530667 387552256 /nfs/dbraw/zinc/55/22/56/387552256.db2.gz FFMNTFFMWHPTQM-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]1CC[C@@H](N(C)C(=[NH2+])NO)CS1 ZINC000575533249 387554660 /nfs/dbraw/zinc/55/46/60/387554660.db2.gz AZEWHCQZEKTCAJ-RNFRBKRXSA-N 1 0 203.311 1.116 10 0 BDAERO c1cn(CC[NH+]2CCC(c3cc[nH]n3)CC2)cn1 ZINC000122629737 387569574 /nfs/dbraw/zinc/56/95/74/387569574.db2.gz ZNKQJYKKDIYJJT-UHFFFAOYSA-N 1 0 245.330 1.486 10 0 BDAERO C[C@]1(C[C@H]2CCOC2)[NH2+]CCCS1 ZINC000575534958 387575335 /nfs/dbraw/zinc/57/53/35/387575335.db2.gz YYYIEIPGRYGYAV-ZJUUUORDSA-N 1 0 201.335 1.856 10 0 BDAERO C[C@@H]1CC[C@](O)([C@@H]2CCC[NH2+]2)CS1 ZINC000575535613 387576258 /nfs/dbraw/zinc/57/62/58/387576258.db2.gz ULXSTYAGTKUZDA-KXUCPTDWSA-N 1 0 201.335 1.385 10 0 BDAERO CC(C)[C@@H]1CN(C2CSC2)CC[NH2+]1 ZINC000575550156 387642492 /nfs/dbraw/zinc/64/24/92/387642492.db2.gz PWKMRSNICIPZAV-JTQLQIEISA-N 1 0 200.351 1.032 10 0 BDAERO O=C(NC[C@H]1CC12CC[NH2+]CC2)C(F)(F)F ZINC000575548053 387643596 /nfs/dbraw/zinc/64/35/96/387643596.db2.gz AJICLKKEVOFLQG-SSDOTTSWSA-N 1 0 236.237 1.055 10 0 BDAERO CS[C@@H]1CC[C@@H]1N1CC[NH2+]C[C@@H]1C ZINC000575549159 387648268 /nfs/dbraw/zinc/64/82/68/387648268.db2.gz IAVSHNODNMVQHK-LPEHRKFASA-N 1 0 200.351 1.174 10 0 BDAERO [NH3+][C@H]1CN(CC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000148976030 387648624 /nfs/dbraw/zinc/64/86/24/387648624.db2.gz MCSNMEVYCLODDS-MNOVXSKESA-N 1 0 244.260 1.975 10 0 BDAERO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1C1CCCC1 ZINC000125856390 387666321 /nfs/dbraw/zinc/66/63/21/387666321.db2.gz OLCYFMFFZFPGMB-MNOVXSKESA-N 1 0 227.304 1.191 10 0 BDAERO C[C@@H]1C[NH2+][C@](C)([C@H]2CCCCO2)S1 ZINC000575562864 387704830 /nfs/dbraw/zinc/70/48/30/387704830.db2.gz FLKGNVAMENHGMY-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045168802 387705580 /nfs/dbraw/zinc/70/55/80/387705580.db2.gz JOVJITOWHUMHFX-CABZTGNLSA-N 1 0 239.363 1.941 10 0 BDAERO C/C=C/[C@@H]([NH3+])c1ncncc1Br ZINC000575569553 387734471 /nfs/dbraw/zinc/73/44/71/387734471.db2.gz VVQGFYXTYUEFDD-TYWZFMJISA-N 1 0 228.093 1.815 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CN(c2ncccc2Cl)CCO1 ZINC000169205454 387794872 /nfs/dbraw/zinc/79/48/72/387794872.db2.gz DLNTXDHSVGBLLS-WPRPVWTQSA-N 1 0 241.722 1.287 10 0 BDAERO OCC[C@@H](N[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000423004277 387825681 /nfs/dbraw/zinc/82/56/81/387825681.db2.gz JKRXGVROZMKVLR-QWHCGFSZSA-N 1 0 226.364 1.269 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@@H](C)O)C12CCC2 ZINC000309526142 387817619 /nfs/dbraw/zinc/81/76/19/387817619.db2.gz CPYVOWWSIVTQFP-WISYIIOYSA-N 1 0 227.348 1.551 10 0 BDAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC=CO1 ZINC000194502865 387890451 /nfs/dbraw/zinc/89/04/51/387890451.db2.gz XXAUQRCYRMOBFI-NWDGAFQWSA-N 1 0 248.330 1.704 10 0 BDAERO CC[C@H]([NH2+]CCn1cncn1)[C@@H]1C[C@H]1C ZINC000322068587 387875622 /nfs/dbraw/zinc/87/56/22/387875622.db2.gz SEJZEZGIDMZNFU-MXWKQRLJSA-N 1 0 208.309 1.302 10 0 BDAERO CN1CCO[C@@H](CNC(=O)CC2CCCC2)C1 ZINC000194633626 387888376 /nfs/dbraw/zinc/88/83/76/387888376.db2.gz LDQDOXNZJXNBPG-LBPRGKRZSA-N 1 0 240.347 1.014 10 0 BDAERO COCCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195054267 387903507 /nfs/dbraw/zinc/90/35/07/387903507.db2.gz AAGJKWDLGNVFJM-LBPRGKRZSA-N 1 0 240.347 1.110 10 0 BDAERO COCCCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195101899 387904144 /nfs/dbraw/zinc/90/41/44/387904144.db2.gz BPNNJCSUPPWLIC-GFCCVEGCSA-N 1 0 240.347 1.110 10 0 BDAERO CO[C@H](C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000195449182 387917347 /nfs/dbraw/zinc/91/73/47/387917347.db2.gz JGTRWKPPGQJGJT-LLVKDONJSA-N 1 0 240.347 1.108 10 0 BDAERO CSC[C@](C)(O)C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322124535 387937256 /nfs/dbraw/zinc/93/72/56/387937256.db2.gz CVLXSUUPILFJDD-ZRUFSTJUSA-N 1 0 217.378 1.735 10 0 BDAERO Cc1cccnc1CCCN[C@@H]1CC[NH2+]C1 ZINC000423158738 387939465 /nfs/dbraw/zinc/93/94/65/387939465.db2.gz XDMUFLBLZZCSTQ-GFCCVEGCSA-N 1 0 219.332 1.274 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCn1ccnc1 ZINC000245845362 387986527 /nfs/dbraw/zinc/98/65/27/387986527.db2.gz DNZUWGXEAVPVOC-KGLIPLIRSA-N 1 0 248.374 1.442 10 0 BDAERO CCc1nsc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246110515 388010991 /nfs/dbraw/zinc/01/09/91/388010991.db2.gz CAMUDBRGUQSVIZ-VIFPVBQESA-N 1 0 238.360 1.385 10 0 BDAERO CCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246171441 388016774 /nfs/dbraw/zinc/01/67/74/388016774.db2.gz FODGHISKENMYMI-GHMZBOCLSA-N 1 0 227.352 1.424 10 0 BDAERO C[NH+](C)C[C@H]1CN([C@@H]2C=CCCC2)CCO1 ZINC000246239670 388022843 /nfs/dbraw/zinc/02/28/43/388022843.db2.gz IWQJIQHMXXORNG-OLZOCXBDSA-N 1 0 224.348 1.358 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000246232411 388022943 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177745920 /nfs/dbraw/zinc/74/59/20/177745920.db2.gz FQENCMYUGWPEIJ-SNVBAGLBSA-N 1 0 249.314 1.340 10 0 BDAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cnccn1 ZINC000134246919 388474920 /nfs/dbraw/zinc/47/49/20/388474920.db2.gz NTMGBEGZNKRIMF-GUBZILKMSA-N 1 0 207.277 1.305 10 0 BDAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cnccn1 ZINC000134246899 388475277 /nfs/dbraw/zinc/47/52/77/388475277.db2.gz NTMGBEGZNKRIMF-AEJSXWLSSA-N 1 0 207.277 1.305 10 0 BDAERO Cc1cc(C)nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000310390798 388481811 /nfs/dbraw/zinc/48/18/11/388481811.db2.gz RPIVTTWBMBQERW-NOZJJQNGSA-N 1 0 234.347 1.515 10 0 BDAERO C[C@@H]1[C@@H](O)CCCN1Cc1nccn1C(F)F ZINC000295062613 388407844 /nfs/dbraw/zinc/40/78/44/388407844.db2.gz QKSQPFGYQQRISS-BDAKNGLRSA-N 1 0 245.273 1.623 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccnc(OC)n1 ZINC000295653574 388413488 /nfs/dbraw/zinc/41/34/88/388413488.db2.gz IZARJFYCEYQMPK-MWLCHTKSSA-N 1 0 221.304 1.763 10 0 BDAERO CCc1cc(N2C[C@H](OC)C[C@H]2CO)cc[nH+]1 ZINC000307775758 388425235 /nfs/dbraw/zinc/42/52/35/388425235.db2.gz HDOADAUCFXFBHX-QWHCGFSZSA-N 1 0 236.315 1.230 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC1=CCCOC1 ZINC000245797931 388431954 /nfs/dbraw/zinc/43/19/54/388431954.db2.gz XGUVIXMGNXMRRW-JSGCOSHPSA-N 1 0 236.359 1.502 10 0 BDAERO CC(C)c1cccc(-n2nncc2C[NH3+])c1 ZINC000070460932 388435556 /nfs/dbraw/zinc/43/55/56/388435556.db2.gz DNINTUGGAOFBIV-UHFFFAOYSA-N 1 0 216.288 1.849 10 0 BDAERO [NH3+]C1CCC(OC(=O)N2CCCC2)CC1 ZINC000086230699 256778206 /nfs/dbraw/zinc/77/82/06/256778206.db2.gz XGTLKMQQBFPVHQ-UHFFFAOYSA-N 1 0 212.293 1.489 10 0 BDAERO CC(C)C1([NH2+]CC(=O)NC2CCCC2)CC1 ZINC000339518045 388485163 /nfs/dbraw/zinc/48/51/63/388485163.db2.gz VLKUMDBVWIZIBE-UHFFFAOYSA-N 1 0 224.348 1.823 10 0 BDAERO Cc1cnn(CC[NH2+]C2(C(C)C)CC2)c1 ZINC000339514201 388485521 /nfs/dbraw/zinc/48/55/21/388485521.db2.gz MCHYXAIBUORKQZ-UHFFFAOYSA-N 1 0 207.321 1.970 10 0 BDAERO CC(C)[C@@H]([NH3+])CNc1ccnc2cccnc21 ZINC000341012737 388494203 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ZINC000186225976 256863254 /nfs/dbraw/zinc/86/32/54/256863254.db2.gz ZCKYZEBHQURCJE-QWHCGFSZSA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)CCOCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385059418 388573903 /nfs/dbraw/zinc/57/39/03/388573903.db2.gz UOCHBKGKPYYZIN-QWHCGFSZSA-N 1 0 229.364 1.894 10 0 BDAERO CCc1cc(CC)nc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000385377211 388574479 /nfs/dbraw/zinc/57/44/79/388574479.db2.gz MSAAFHLSZRWOQH-MFKMUULPSA-N 1 0 246.358 1.400 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)COC ZINC000245479424 388583201 /nfs/dbraw/zinc/58/32/01/388583201.db2.gz WIRKKUWFSWELEN-NEPJUHHUSA-N 1 0 214.353 1.437 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000248216883 388675728 /nfs/dbraw/zinc/67/57/28/388675728.db2.gz ZUMZNERZAAGHTC-JHJVBQTASA-N 1 0 228.380 1.730 10 0 BDAERO CS(=O)(=O)c1ccc([C@@H]([NH3+])CC(F)F)cc1 ZINC000575437694 388621261 /nfs/dbraw/zinc/62/12/61/388621261.db2.gz OZNBPKXAPBYVQL-VIFPVBQESA-N 1 0 249.282 1.745 10 0 BDAERO CC[C@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000246243830 388625934 /nfs/dbraw/zinc/62/59/34/388625934.db2.gz ONUQAJCAOQNHEK-NWDGAFQWSA-N 1 0 229.364 1.894 10 0 BDAERO C[C@@H](c1ccccn1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246346593 388631109 /nfs/dbraw/zinc/63/11/09/388631109.db2.gz LWPSSGYMYLQBSA-STQMWFEESA-N 1 0 249.358 1.405 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000246453641 388637387 /nfs/dbraw/zinc/63/73/87/388637387.db2.gz IYKTUVFHMDWRCY-OLZOCXBDSA-N 1 0 226.364 1.439 10 0 BDAERO COC[C@@H](C)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246489283 388639281 /nfs/dbraw/zinc/63/92/81/388639281.db2.gz MAUWKSARUNZHPP-RYUDHWBXSA-N 1 0 212.337 1.049 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)OCC2CC2)C1 ZINC000189588055 388639565 /nfs/dbraw/zinc/63/95/65/388639565.db2.gz COZSUNPOAHAHRX-SNVBAGLBSA-N 1 0 212.293 1.169 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC(C)(C)C)C1 ZINC000246571860 388643862 /nfs/dbraw/zinc/64/38/62/388643862.db2.gz OETXZYRPIJZOTF-GHMZBOCLSA-N 1 0 241.379 1.813 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccc(C)cn2)C1 ZINC000127003820 388657350 /nfs/dbraw/zinc/65/73/50/388657350.db2.gz MJWMHDHUSOQSFB-AWEZNQCLSA-N 1 0 233.359 1.964 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247019813 388657719 /nfs/dbraw/zinc/65/77/19/388657719.db2.gz LUDYLJWBRHMPTI-KXNHARMFSA-N 1 0 239.363 1.567 10 0 BDAERO C[C@H]1CCCCCN1C(=O)C1([NH3+])CCOCC1 ZINC000127962562 388735733 /nfs/dbraw/zinc/73/57/33/388735733.db2.gz OQVDVVHBVMPPCA-NSHDSACASA-N 1 0 240.347 1.285 10 0 BDAERO CCC[C@H](C(=O)NCC1(SC)CC1)[NH+](C)C ZINC000194660912 388739109 /nfs/dbraw/zinc/73/91/09/388739109.db2.gz DJJHHWMUWQNTFC-SNVBAGLBSA-N 1 0 244.404 1.729 10 0 BDAERO C[C@@H]1CC[C@@H](CC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000128352315 388750558 /nfs/dbraw/zinc/75/05/58/388750558.db2.gz YMNMIYSFVOHUGM-UPJWGTAASA-N 1 0 238.375 1.975 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1[NH2+]C[C@H]2CCC[C@H]12 ZINC000079016828 388687729 /nfs/dbraw/zinc/68/77/29/388687729.db2.gz NEKNRPZRUGJBHN-KXUCPTDWSA-N 1 0 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205.305 1.777 10 0 BDAERO CCCc1cccc(N2CC[NH2+]CC2)n1 ZINC000028246357 132294531 /nfs/dbraw/zinc/29/45/31/132294531.db2.gz QLYVHRQPGDWECW-UHFFFAOYSA-N 1 0 205.305 1.444 10 0 BDAERO c1[nH]c2cccc3c2c1C[C@H]1C[NH2+]CCN31 ZINC000118359245 132295269 /nfs/dbraw/zinc/29/52/69/132295269.db2.gz FSAALEHYCCSDSA-JTQLQIEISA-N 1 0 213.284 1.502 10 0 BDAERO C[C@@H](CC[NH3+])C(=O)N1CCCc2ccccc21 ZINC000076615072 132308948 /nfs/dbraw/zinc/30/89/48/132308948.db2.gz MFFKIUWGNPDKKF-NSHDSACASA-N 1 0 232.327 1.951 10 0 BDAERO C[C@H]([NH3+])Cc1ccc2c(c1)CCCN2C ZINC000033825544 132312055 /nfs/dbraw/zinc/31/20/55/132312055.db2.gz SHRNQTPSBJMGFI-JTQLQIEISA-N 1 0 204.317 1.959 10 0 BDAERO CCC[C@H](C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000019404294 132324663 /nfs/dbraw/zinc/32/46/63/132324663.db2.gz AGJXZQQMFHGNRH-OAHLLOKOSA-N 1 0 247.386 1.936 10 0 BDAERO Cc1ccc2c(c1)CCCN2C[C@H](O)C[NH3+] ZINC000019474435 132325501 /nfs/dbraw/zinc/32/55/01/132325501.db2.gz JPWUKVGUXGMFHG-GFCCVEGCSA-N 1 0 220.316 1.067 10 0 BDAERO NC(=[NH2+])CCN1CCCc2ccccc21 ZINC000019514310 132326078 /nfs/dbraw/zinc/32/60/78/132326078.db2.gz ILIQXTVMKDLBBY-UHFFFAOYSA-N 1 0 203.289 1.765 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CCC(O)CC1 ZINC000019872576 132328392 /nfs/dbraw/zinc/32/83/92/132328392.db2.gz HXEFFZQTARDFGX-SNVBAGLBSA-N 1 0 220.316 1.667 10 0 BDAERO COCC[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265184 132330393 /nfs/dbraw/zinc/33/03/93/132330393.db2.gz MDIIZZHVGYVXIY-UHFFFAOYSA-N 1 0 235.331 1.037 10 0 BDAERO Oc1ccc2cccc(N3CC[NH2+]CC3)c2c1 ZINC000028759893 132334431 /nfs/dbraw/zinc/33/44/31/132334431.db2.gz JHFGCEGHEXXYGB-UHFFFAOYSA-N 1 0 228.295 1.955 10 0 BDAERO CC[C@H]1CCCN(c2cc(C(N)=[NH2+])ccn2)C1 ZINC000036169777 132340249 /nfs/dbraw/zinc/34/02/49/132340249.db2.gz KGGSSMZSBNPBLS-JTQLQIEISA-N 1 0 232.331 1.992 10 0 BDAERO CC1(C)CN(c2cc[nH+]cc2N)CCO1 ZINC000036232021 132341023 /nfs/dbraw/zinc/34/10/23/132341023.db2.gz RDLIUXDFGXVXJC-UHFFFAOYSA-N 1 0 207.277 1.279 10 0 BDAERO CC[C@H]1CN(c2ncccc2C[NH3+])CCO1 ZINC000036768887 132342545 /nfs/dbraw/zinc/34/25/45/132342545.db2.gz VEJXNQKTFDHCJN-NSHDSACASA-N 1 0 221.304 1.156 10 0 BDAERO CC[C@@H](CO)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037238945 132343928 /nfs/dbraw/zinc/34/39/28/132343928.db2.gz YFVYRFXGNALDMY-JQWIXIFHSA-N 1 0 248.326 1.455 10 0 BDAERO C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037258070 132344196 /nfs/dbraw/zinc/34/41/96/132344196.db2.gz LGIUOUVQCHCHIW-GXSJLCMTSA-N 1 0 234.299 1.065 10 0 BDAERO C[C@H](CO)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037258832 132344255 /nfs/dbraw/zinc/34/42/55/132344255.db2.gz SNFSYQVGIOXBQK-MWLCHTKSSA-N 1 0 234.299 1.065 10 0 BDAERO C[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000040418728 132347334 /nfs/dbraw/zinc/34/73/34/132347334.db2.gz KPRVBYUOIULYMO-UHFFFAOYSA-N 1 0 222.313 1.345 10 0 BDAERO C[NH2+]CCN1c2ccccc2CCC1=O ZINC000042409890 132351511 /nfs/dbraw/zinc/35/15/11/132351511.db2.gz OFTFNPFRYPLMAF-UHFFFAOYSA-N 1 0 204.273 1.185 10 0 BDAERO CCO[C@H]1CCCN(c2ccc(C(N)=[NH2+])cn2)C1 ZINC000042422633 132351707 /nfs/dbraw/zinc/35/17/07/132351707.db2.gz FOSGLHOPZCRATE-NSHDSACASA-N 1 0 248.330 1.371 10 0 BDAERO CC[C@@H]1CN(c2cc(N)cc[nH+]2)CCO1 ZINC000043568934 132353609 /nfs/dbraw/zinc/35/36/09/132353609.db2.gz UACXATRLEZSHQL-SNVBAGLBSA-N 1 0 207.277 1.279 10 0 BDAERO CNC(=O)[C@H]1CCCCN1c1ccccc1C[NH3+] ZINC000044412639 132354159 /nfs/dbraw/zinc/35/41/59/132354159.db2.gz RJFARCIVBDENJE-CYBMUJFWSA-N 1 0 247.342 1.250 10 0 BDAERO CCOc1c[nH+]ccc1N1CCOCC1 ZINC000045805742 132354998 /nfs/dbraw/zinc/35/49/98/132354998.db2.gz OPIGFCGTZSYNRV-UHFFFAOYSA-N 1 0 208.261 1.317 10 0 BDAERO CC[C@@H]1CCCCN1c1ccc(C[NH3+])nn1 ZINC000051396662 132360273 /nfs/dbraw/zinc/36/02/73/132360273.db2.gz YFDJASKTPZXSQW-LLVKDONJSA-N 1 0 220.320 1.704 10 0 BDAERO CC1(C)COCCN1c1cccc(C[NH3+])n1 ZINC000051397841 132360427 /nfs/dbraw/zinc/36/04/27/132360427.db2.gz OOQXBIUTGIDNDZ-UHFFFAOYSA-N 1 0 221.304 1.156 10 0 BDAERO C[C@H]1CCCN(c2ccc(C[NH2+]C3CC3)nn2)C1 ZINC000051399987 132360696 /nfs/dbraw/zinc/36/06/96/132360696.db2.gz SPIWBLJWICKVIN-NSHDSACASA-N 1 0 246.358 1.965 10 0 BDAERO CC[C@@H]1CN(c2ccnc(C[NH2+]C)c2)CCO1 ZINC000051444605 132361196 /nfs/dbraw/zinc/36/11/96/132361196.db2.gz MDXZOJXZHGYBTO-CYBMUJFWSA-N 1 0 235.331 1.416 10 0 BDAERO CC[NH2+]Cc1cccnc1N1CCOC(C)(C)C1 ZINC000051447050 132361214 /nfs/dbraw/zinc/36/12/14/132361214.db2.gz HONQBYAFPDNBJB-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO c1cnc2ccc(N3CC[NH2+]CC3)cc2c1 ZINC000054108240 132363881 /nfs/dbraw/zinc/36/38/81/132363881.db2.gz DKERABICDXLVHZ-UHFFFAOYSA-N 1 0 213.284 1.644 10 0 BDAERO Cc1cnc(C)c(N2CCCC[C@H]2[C@@H](C)[NH3+])n1 ZINC000063196815 132389782 /nfs/dbraw/zinc/38/97/82/132389782.db2.gz PDZWFJUHNUMWCT-PWSUYJOCSA-N 1 0 234.347 1.800 10 0 BDAERO C[C@@H]1CCN(c2ccc(F)cn2)[C@@H](C[NH3+])C1 ZINC000235361487 132391778 /nfs/dbraw/zinc/39/17/78/132391778.db2.gz DWSGXIOKSPQSEI-MWLCHTKSSA-N 1 0 223.295 1.784 10 0 BDAERO C[C@H]1CCN(c2cnccn2)[C@@H](C[NH3+])C1 ZINC000235617295 132401727 /nfs/dbraw/zinc/40/17/27/132401727.db2.gz 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/nfs/dbraw/zinc/38/34/68/134383468.db2.gz GEMNTDNCAGFTIP-LLVKDONJSA-N 1 0 243.347 1.423 10 0 BDAERO Cc1ccnc(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000227738112 134385437 /nfs/dbraw/zinc/38/54/37/134385437.db2.gz IVMABAIFYPGKKG-LLVKDONJSA-N 1 0 222.336 1.595 10 0 BDAERO CC(C)C(C[NH2+]C[C@@H]1CN(C)CCO1)C(C)C ZINC000229556240 134456440 /nfs/dbraw/zinc/45/64/40/134456440.db2.gz QWVLBYDTLVKKNO-CYBMUJFWSA-N 1 0 242.407 1.835 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC000235648663 134596919 /nfs/dbraw/zinc/59/69/19/134596919.db2.gz VSZFKQDDCKEEEG-GWCFXTLKSA-N 1 0 247.342 1.172 10 0 BDAERO O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cncnc1 ZINC000130649048 134621870 /nfs/dbraw/zinc/62/18/70/134621870.db2.gz NUQVBXHKRIHUIO-NWDGAFQWSA-N 1 0 221.304 1.260 10 0 BDAERO COc1ccnc(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000133637199 134686810 /nfs/dbraw/zinc/68/68/10/134686810.db2.gz DEXAXOTYRDVSHY-SNVBAGLBSA-N 1 0 238.335 1.295 10 0 BDAERO C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158767873 134824342 /nfs/dbraw/zinc/82/43/42/134824342.db2.gz MPTKOXMOAKYGCC-CHWFTXMASA-N 1 0 210.321 1.134 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cnn1C ZINC000229812973 134833227 /nfs/dbraw/zinc/83/32/27/134833227.db2.gz VNIWBBKQZFACBT-YPMHNXCESA-N 1 0 237.347 1.369 10 0 BDAERO Cc1cccc(N(C)C(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000164483914 134858676 /nfs/dbraw/zinc/85/86/76/134858676.db2.gz XATVSDQEONFMPG-LLVKDONJSA-N 1 0 232.327 1.813 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000019435861 168293480 /nfs/dbraw/zinc/29/34/80/168293480.db2.gz QQFFZFTYQPTERE-UWVGGRQHSA-N 1 0 212.337 1.822 10 0 BDAERO Cc1cnc(C)c(NC[C@@H]([NH3+])C(C)C)n1 ZINC000070010820 134906429 /nfs/dbraw/zinc/90/64/29/134906429.db2.gz BZIMNSIHHOEZSY-SNVBAGLBSA-N 1 0 208.309 1.489 10 0 BDAERO CCCNC(=O)C[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000070643121 135000035 /nfs/dbraw/zinc/00/00/35/135000035.db2.gz BQHBEFZSMYDSHF-WDEREUQCSA-N 1 0 212.337 1.681 10 0 BDAERO CCCC[C@@H](CC)[NH2+]CCc1nnc[nH]1 ZINC000070646262 135003985 /nfs/dbraw/zinc/00/39/85/135003985.db2.gz AKDORDCIYDVWSR-SNVBAGLBSA-N 1 0 210.325 1.906 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]nc1C ZINC000248411035 135007070 /nfs/dbraw/zinc/00/70/70/135007070.db2.gz HVDYMJMKJMXHDT-KBPBESRZSA-N 1 0 248.374 1.777 10 0 BDAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@H](C)O ZINC000248657284 135018575 /nfs/dbraw/zinc/01/85/75/135018575.db2.gz SHAXECVZDGBRJQ-CABZTGNLSA-N 1 0 237.347 1.555 10 0 BDAERO C=Cn1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cn1 ZINC000248827180 135022228 /nfs/dbraw/zinc/02/22/28/135022228.db2.gz GNBXCVIUZMPFMX-JHJVBQTASA-N 1 0 247.342 1.887 10 0 BDAERO CCC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248963087 135028745 /nfs/dbraw/zinc/02/87/45/135028745.db2.gz CFFAHMFMWMSTSA-CHWSQXEVSA-N 1 0 225.332 1.999 10 0 BDAERO C1=CO[C@H](C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000249214397 135036059 /nfs/dbraw/zinc/03/60/59/135036059.db2.gz ZIUPOAPINLGLBC-WUHRBBMRSA-N 1 0 223.316 1.836 10 0 BDAERO CCNC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249718911 135043890 /nfs/dbraw/zinc/04/38/90/135043890.db2.gz KWRBAIPAALCDSZ-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO CC[C@@H]([NH3+])CNc1ncncc1Cl ZINC000163683140 135045346 /nfs/dbraw/zinc/04/53/46/135045346.db2.gz BYUPKPNEOPCACH-ZCFIWIBFSA-N 1 0 200.673 1.279 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)nc1 ZINC000249778994 135045767 /nfs/dbraw/zinc/04/57/67/135045767.db2.gz CRJPULDXXIJWEN-AAEUAGOBSA-N 1 0 249.333 1.889 10 0 BDAERO CC[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250539781 135052311 /nfs/dbraw/zinc/05/23/11/135052311.db2.gz NAUAKNYARZESJS-RYUDHWBXSA-N 1 0 224.348 1.729 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000252122062 135083618 /nfs/dbraw/zinc/08/36/18/135083618.db2.gz KYHIASLVTSKTFE-RCWTZXSCSA-N 1 0 231.361 1.340 10 0 BDAERO Cn1cncc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000252475925 135090405 /nfs/dbraw/zinc/09/04/05/135090405.db2.gz NLURYELDSMFVJG-GXTWGEPZSA-N 1 0 249.358 1.547 10 0 BDAERO C[C@@H]1C[N@H+](CCCCCO)C[C@H]1N(C)C ZINC000252493775 135090828 /nfs/dbraw/zinc/09/08/28/135090828.db2.gz XCORMSGBEGYOGU-VXGBXAGGSA-N 1 0 214.353 1.031 10 0 BDAERO CC(C)(O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252475978 135091322 /nfs/dbraw/zinc/09/13/22/135091322.db2.gz VHLVFENFJMWLFW-AAEUAGOBSA-N 1 0 227.348 1.384 10 0 BDAERO CCOCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086657867 135091732 /nfs/dbraw/zinc/09/17/32/135091732.db2.gz RGHZEQUHHBMCIP-CYBMUJFWSA-N 1 0 226.364 1.583 10 0 BDAERO CC[C@H](O)C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000252662109 135093903 /nfs/dbraw/zinc/09/39/03/135093903.db2.gz UQOJODBCVRJHAG-AGIUHOORSA-N 1 0 226.364 1.316 10 0 BDAERO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1C ZINC000252689329 135097146 /nfs/dbraw/zinc/09/71/46/135097146.db2.gz QWDXHNGZDJWCBY-DNIRFERGSA-N 1 0 224.348 1.236 10 0 BDAERO CSCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252708541 135098303 /nfs/dbraw/zinc/09/83/03/135098303.db2.gz AJGKJQBMVDCTPO-RYUDHWBXSA-N 1 0 229.389 1.976 10 0 BDAERO C[C@@H](O)CC[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000252737190 135104518 /nfs/dbraw/zinc/10/45/18/135104518.db2.gz BHTQKLBPPWSXFL-DGCLKSJQSA-N 1 0 235.327 1.693 10 0 BDAERO CCC1(CN(C)C2C[NH2+]C2)CCOCC1 ZINC000261545412 135109078 /nfs/dbraw/zinc/10/90/78/135109078.db2.gz JXDMNVNFRJERBH-UHFFFAOYSA-N 1 0 212.337 1.097 10 0 BDAERO C[C@@H](CO)[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000252787485 135109685 /nfs/dbraw/zinc/10/96/85/135109685.db2.gz ADESSKDANNKZCA-CMPLNLGQSA-N 1 0 221.300 1.303 10 0 BDAERO CSc1ccc(C[NH2+]C2COC2)cc1 ZINC000087194663 135111230 /nfs/dbraw/zinc/11/12/30/135111230.db2.gz QPEXGBICXVMHNU-UHFFFAOYSA-N 1 0 209.314 1.897 10 0 BDAERO C1OCC1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000087195424 135111489 /nfs/dbraw/zinc/11/14/89/135111489.db2.gz UNKPRHFKOAXIIF-JTQLQIEISA-N 1 0 211.305 1.467 10 0 BDAERO Cc1nccc(C[NH2+]C[C@@]2(C)CCCO2)n1 ZINC000087234324 135113994 /nfs/dbraw/zinc/11/39/94/135113994.db2.gz INPXNMXPTSISQA-GFCCVEGCSA-N 1 0 221.304 1.444 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[S@](C)=O)C1 ZINC000252881210 135114646 /nfs/dbraw/zinc/11/46/46/135114646.db2.gz YQCUHYDIAUDKJF-PUHVVEEASA-N 1 0 217.378 1.922 10 0 BDAERO C[C@@H]1C[C@@H]1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000252954609 135117694 /nfs/dbraw/zinc/11/76/94/135117694.db2.gz HXACBXXYHLIULC-FDYHWXHSSA-N 1 0 208.349 1.811 10 0 BDAERO OCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253090231 135119950 /nfs/dbraw/zinc/11/99/50/135119950.db2.gz HUIVTLDKFTXYDM-BFHYXJOUSA-N 1 0 241.375 1.774 10 0 BDAERO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1[C@@H]1CCOC1 ZINC000253093976 135121414 /nfs/dbraw/zinc/12/14/14/135121414.db2.gz MZXZMLLCYNUEST-AAVRWANBSA-N 1 0 239.359 1.791 10 0 BDAERO CC1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC000087317890 135124549 /nfs/dbraw/zinc/12/45/49/135124549.db2.gz GJWBEAKNBGGTKL-WDEREUQCSA-N 1 0 222.332 1.387 10 0 BDAERO Cc1cc(C)nc(N[C@H](C)CCC[NH3+])n1 ZINC000087362282 135126642 /nfs/dbraw/zinc/12/66/42/135126642.db2.gz HSPINXGQAJDZLK-MRVPVSSYSA-N 1 0 208.309 1.633 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000253362143 135126808 /nfs/dbraw/zinc/12/68/08/135126808.db2.gz FUKHCPXUBWQYCH-STQMWFEESA-N 1 0 243.347 1.234 10 0 BDAERO CC(C)(C)c1nsc(NC[C@H]2CC[NH2+]C2)n1 ZINC000087655352 135162678 /nfs/dbraw/zinc/16/26/78/135162678.db2.gz UNQCAOOAZCRGCE-QMMMGPOBSA-N 1 0 240.376 1.857 10 0 BDAERO Cc1cc(CN2CC[C@H](C)C[C@H]2C[NH3+])on1 ZINC000261534445 135166489 /nfs/dbraw/zinc/16/64/89/135166489.db2.gz QHBFEVYVQBKFQL-ONGXEEELSA-N 1 0 223.320 1.542 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1ncc(C)cn1 ZINC000087780080 135168372 /nfs/dbraw/zinc/16/83/72/135168372.db2.gz PBAXVWBIXYFEPQ-SNVBAGLBSA-N 1 0 208.309 1.714 10 0 BDAERO C[C@H]1CCN(Cc2csnn2)[C@H](C[NH3+])C1 ZINC000261536347 135171484 /nfs/dbraw/zinc/17/14/84/135171484.db2.gz RIHKQIIRAWFESL-WPRPVWTQSA-N 1 0 226.349 1.097 10 0 BDAERO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000261541837 135181669 /nfs/dbraw/zinc/18/16/69/135181669.db2.gz BOOVYUNVGMDRTB-UTUOFQBUSA-N 1 0 240.347 1.154 10 0 BDAERO CCc1nc(CN2CC[C@H](C)C[C@H]2C[NH3+])no1 ZINC000261541899 135182002 /nfs/dbraw/zinc/18/20/02/135182002.db2.gz MEVNZBVVYBFKCA-UWVGGRQHSA-N 1 0 238.335 1.191 10 0 BDAERO FC(F)(F)OCC[NH2+]CC1CCOCC1 ZINC000084178018 135189825 /nfs/dbraw/zinc/18/98/25/135189825.db2.gz LBOHXLJZRFWSTM-UHFFFAOYSA-N 1 0 227.226 1.539 10 0 BDAERO Cc1ncsc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084231357 135193967 /nfs/dbraw/zinc/19/39/67/135193967.db2.gz ZNNQVEZCKJLZSD-UWVGGRQHSA-N 1 0 226.345 1.702 10 0 BDAERO CCc1nnc(NC[C@H](C)[NH2+]C)nc1CC ZINC000261560893 135201718 /nfs/dbraw/zinc/20/17/18/135201718.db2.gz AHOXUHVQTDRZBV-QMMMGPOBSA-N 1 0 223.324 1.016 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1cscn1 ZINC000084310980 135207473 /nfs/dbraw/zinc/20/74/73/135207473.db2.gz BFAJBXLZCJIACH-PSASIEDQSA-N 1 0 239.344 1.134 10 0 BDAERO CCN(CC1CC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084311013 135207901 /nfs/dbraw/zinc/20/79/01/135207901.db2.gz ZQSVNZRSIVTQDX-VXGBXAGGSA-N 1 0 224.348 1.620 10 0 BDAERO CN(CC1CCC1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261576354 135217676 /nfs/dbraw/zinc/21/76/76/135217676.db2.gz KHZXRIOPCNXSOW-GFCCVEGCSA-N 1 0 224.348 1.777 10 0 BDAERO CS[C@@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261584185 135225104 /nfs/dbraw/zinc/22/51/04/135225104.db2.gz PNIUBLKUOHFDEX-IUCAKERBSA-N 1 0 230.377 1.324 10 0 BDAERO CS[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261584184 135225200 /nfs/dbraw/zinc/22/52/00/135225200.db2.gz PNIUBLKUOHFDEX-DTWKUNHWSA-N 1 0 230.377 1.324 10 0 BDAERO CO[C@@H](C)c1nsc(N[C@H]2CCC[NH2+]C2)n1 ZINC000261585368 135226183 /nfs/dbraw/zinc/22/61/83/135226183.db2.gz QITVIBQESVIJOL-YUMQZZPRSA-N 1 0 242.348 1.409 10 0 BDAERO CO[C@@H](C)c1nsc(NC[C@@H]([NH3+])C2CC2)n1 ZINC000261584562 135226270 /nfs/dbraw/zinc/22/62/70/135226270.db2.gz PYMALBSLWIVYJP-POYBYMJQSA-N 1 0 242.348 1.395 10 0 BDAERO Cc1nnc(N2CC[C@@H]([NH3+])C(C)(C)C2)nc1C ZINC000261547272 135239970 /nfs/dbraw/zinc/23/99/70/135239970.db2.gz HVXCVQDRIZFBRS-SNVBAGLBSA-N 1 0 235.335 1.052 10 0 BDAERO Nc1cc[nH+]cc1-c1nc([C@@H]2CCOC2)no1 ZINC000261636441 135241639 /nfs/dbraw/zinc/24/16/39/135241639.db2.gz CXHBJNNWRPXXDR-SSDOTTSWSA-N 1 0 232.243 1.218 10 0 BDAERO Cc1cc(C)c(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])[nH]1 ZINC000261638959 135242715 /nfs/dbraw/zinc/24/27/15/135242715.db2.gz AOQDYLUSAZXMMU-JOYOIKCWSA-N 1 0 249.358 1.831 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C ZINC000261721006 135248339 /nfs/dbraw/zinc/24/83/39/135248339.db2.gz KCTUAVIUBNNPHG-WRWGMCAJSA-N 1 0 224.348 1.618 10 0 BDAERO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2O)C1 ZINC000084420267 135251327 /nfs/dbraw/zinc/25/13/27/135251327.db2.gz ZOTIQTAKHOQKQN-UPJWGTAASA-N 1 0 226.364 1.316 10 0 BDAERO C(CC1CC1)[NH2+][C@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261873317 135259013 /nfs/dbraw/zinc/25/90/13/135259013.db2.gz DKHDHUPQHNHGDO-IHRRRGAJSA-N 1 0 238.375 1.533 10 0 BDAERO C[C@@H]1COC[C@H](C)N1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261873067 135259272 /nfs/dbraw/zinc/25/92/72/135259272.db2.gz 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/nfs/dbraw/zinc/57/67/22/487576722.db2.gz QJSKNYNTBQJAPQ-GRYCIOLGSA-N 1 0 229.389 1.975 10 0 BDAERO CCC[N@H+](CCO)C[C@@H]1CCC[C@H](O)C1 ZINC000308919677 487582028 /nfs/dbraw/zinc/58/20/28/487582028.db2.gz OPUGKDKOGBNLJO-NEPJUHHUSA-N 1 0 215.337 1.242 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CCSCC1 ZINC000158780788 487586050 /nfs/dbraw/zinc/58/60/50/487586050.db2.gz JUEHXBHZHFCATL-ONGXEEELSA-N 1 0 242.388 1.373 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000309544624 167254979 /nfs/dbraw/zinc/25/49/79/167254979.db2.gz GRAZWDJCLNTSBF-AGIUHOORSA-N 1 0 229.364 1.941 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000336748717 167257162 /nfs/dbraw/zinc/25/71/62/167257162.db2.gz DOUKDOZWKMMZJP-GRYCIOLGSA-N 1 0 215.337 1.957 10 0 BDAERO CCc1nn(C)cc1C[NH2+][C@H]1CCN(CC)C1 ZINC000383159413 487589144 /nfs/dbraw/zinc/58/91/44/487589144.db2.gz LKHRKQBVLRNYOB-LBPRGKRZSA-N 1 0 236.363 1.166 10 0 BDAERO CC1(C)C[C@@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000225469966 487592342 /nfs/dbraw/zinc/59/23/42/487592342.db2.gz DBYHNROLYSBADV-HSOILSAZSA-N 1 0 224.348 1.666 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(C)cc(C)c1O ZINC000087049887 487601277 /nfs/dbraw/zinc/60/12/77/487601277.db2.gz UDMXOCRAVSFVJR-SECBINFHSA-N 1 0 222.288 1.555 10 0 BDAERO CC(C)Oc1c[nH+]c(N)cc1OC1CC1 ZINC000095722409 167313026 /nfs/dbraw/zinc/31/30/26/167313026.db2.gz DLYLFFDYGZQXST-UHFFFAOYSA-N 1 0 208.261 1.992 10 0 BDAERO CC(C)S(=O)(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000037657491 167319825 /nfs/dbraw/zinc/31/98/25/167319825.db2.gz ZMZXARJBJQLNQX-SECBINFHSA-N 1 0 242.344 1.856 10 0 BDAERO CC(C)CCOCC[NH2+]CC1(O)CCOCC1 ZINC000162351329 487609042 /nfs/dbraw/zinc/60/90/42/487609042.db2.gz LJVHLAGBAQHARL-UHFFFAOYSA-N 1 0 245.363 1.180 10 0 BDAERO CN1CCC[C@H]1C[NH2+]C1(CCO)CCCC1 ZINC000660684644 409548035 /nfs/dbraw/zinc/54/80/35/409548035.db2.gz YDYRYISLRGSFRD-LBPRGKRZSA-N 1 0 226.364 1.365 10 0 BDAERO C[C@H]1C[N@H+](CC(C)(C)O)C[C@](C)(C(F)F)O1 ZINC000662361390 409676665 /nfs/dbraw/zinc/67/66/65/409676665.db2.gz VHLCQIQICYOARR-GZMMTYOYSA-N 1 0 237.290 1.502 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC000662560342 409760039 /nfs/dbraw/zinc/76/00/39/409760039.db2.gz IFUWAOHWRKSARL-JTQLQIEISA-N 1 0 224.348 1.681 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCS[C@@H]1C ZINC000308506220 409767873 /nfs/dbraw/zinc/76/78/73/409767873.db2.gz FNMOTMZDBASBBH-VGMNWLOBSA-N 1 0 216.350 1.124 10 0 BDAERO CC[C@@H](C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000662626946 409797840 /nfs/dbraw/zinc/79/78/40/409797840.db2.gz NVMVNIJYQXUPFC-MNOVXSKESA-N 1 0 214.353 1.912 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](OC)C1CCCC1 ZINC000662711573 409863266 /nfs/dbraw/zinc/86/32/66/409863266.db2.gz ORRHAHSYCGLATG-NEPJUHHUSA-N 1 0 242.363 1.435 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000660924974 409969784 /nfs/dbraw/zinc/96/97/84/409969784.db2.gz QXMOVKRXHGSUNJ-MGPQQGTHSA-N 1 0 239.359 1.933 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CN(c2nc3ccccc3[nH]2)CCO1 ZINC000132887551 409978232 /nfs/dbraw/zinc/97/82/32/409978232.db2.gz ZALPXQFBOCFGQK-SKDRFNHKSA-N 1 0 246.314 1.115 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@H]([NH3+])CC(C)C ZINC000662970900 410000860 /nfs/dbraw/zinc/00/08/60/410000860.db2.gz SKOAXGCYVLXJQE-SECBINFHSA-N 1 0 224.308 1.040 10 0 BDAERO CC(C)[N@H+](CCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000308953567 410073262 /nfs/dbraw/zinc/07/32/62/410073262.db2.gz YKRGEMITJIJPAF-VXGBXAGGSA-N 1 0 215.337 1.240 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000132988307 410076236 /nfs/dbraw/zinc/07/62/36/410076236.db2.gz DPZJHUKBLBWXDL-KOLCDFICSA-N 1 0 210.321 1.148 10 0 BDAERO C(Nc1nc(C2CC2)ns1)C12CC(C1)C[NH2+]2 ZINC000663273997 410091107 /nfs/dbraw/zinc/09/11/07/410091107.db2.gz JQIPZGLSDSQPKI-UHFFFAOYSA-N 1 0 236.344 1.579 10 0 BDAERO Brc1ccc(CN2CC[NH2+]CC2)o1 ZINC000034962253 166098199 /nfs/dbraw/zinc/09/81/99/166098199.db2.gz FJZTVKRPVXZUCT-UHFFFAOYSA-N 1 0 245.120 1.447 10 0 BDAERO COc1cccnc1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000128325148 410248613 /nfs/dbraw/zinc/24/86/13/410248613.db2.gz JBPQFZCJCBLZGX-GHMZBOCLSA-N 1 0 235.331 1.890 10 0 BDAERO COc1cccnc1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000128325627 410249653 /nfs/dbraw/zinc/24/96/53/410249653.db2.gz JBPQFZCJCBLZGX-MNOVXSKESA-N 1 0 235.331 1.890 10 0 BDAERO C[NH2+]CC1CCN(c2ncccc2OC)CC1 ZINC000128343375 410258254 /nfs/dbraw/zinc/25/82/54/410258254.db2.gz UDPVWMHIGGFCIO-UHFFFAOYSA-N 1 0 235.331 1.526 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H](C)C1 ZINC000102277251 410632146 /nfs/dbraw/zinc/63/21/46/410632146.db2.gz BQCJANBLNCQVNT-GHMZBOCLSA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)(C)[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC000052949500 166632044 /nfs/dbraw/zinc/63/20/44/166632044.db2.gz OVNJPPCKMLXGEY-SECBINFHSA-N 1 0 219.350 1.199 10 0 BDAERO CC(C)(C)[NH2+]CCN1C(=O)CSC1=O ZINC000042409856 166632358 /nfs/dbraw/zinc/63/23/58/166632358.db2.gz DEUVAOTWFMAJML-UHFFFAOYSA-N 1 0 216.306 1.070 10 0 BDAERO CC(C)C(=O)N(C)CCC1CC[NH2+]CC1 ZINC000044342041 166703302 /nfs/dbraw/zinc/70/33/02/166703302.db2.gz NLZSVJNLWKDBJX-UHFFFAOYSA-N 1 0 212.337 1.491 10 0 BDAERO CC[C@@H]1CN(c2ncccc2OC)CC[C@@H]1[NH3+] ZINC000128479905 410762262 /nfs/dbraw/zinc/76/22/62/410762262.db2.gz FGXRXWLZZUQSJG-MNOVXSKESA-N 1 0 235.331 1.654 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@@H](CO)C(C)(C)C ZINC000393982937 410773871 /nfs/dbraw/zinc/77/38/71/410773871.db2.gz SVKKEDZTTMPTOH-QWRGUYRKSA-N 1 0 214.353 1.077 10 0 BDAERO CC(C)CCCOCCC(=O)N(C)CCC[NH3+] ZINC000037051280 166819452 /nfs/dbraw/zinc/81/94/52/166819452.db2.gz FOTSCRJFKURVNI-UHFFFAOYSA-N 1 0 244.379 1.637 10 0 BDAERO CC(C)CCNC(=O)CN[C@H](C)CC[NH+](C)C ZINC000049557074 166844761 /nfs/dbraw/zinc/84/47/61/166844761.db2.gz CVVRGMMGKAZPRW-GFCCVEGCSA-N 1 0 243.395 1.079 10 0 BDAERO Cc1cc2c(NCCC3(C[NH3+])CC3)nccn2n1 ZINC000395873402 410866689 /nfs/dbraw/zinc/86/66/89/410866689.db2.gz LFEBNCAXDLYBPG-UHFFFAOYSA-N 1 0 245.330 1.579 10 0 BDAERO Cc1cc(N[C@H](CC[NH3+])C(F)F)nc(C)n1 ZINC000394776160 410821027 /nfs/dbraw/zinc/82/10/27/410821027.db2.gz HUXNNDQFCPSECH-MRVPVSSYSA-N 1 0 230.262 1.488 10 0 BDAERO CC(C)C[NH2+]C[C@H]1CC[C@H](Cn2ccnc2)O1 ZINC000052575510 167008661 /nfs/dbraw/zinc/00/86/61/167008661.db2.gz CIJZUAFYHCEXOE-CHWSQXEVSA-N 1 0 237.347 1.676 10 0 BDAERO CC(C)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000309086342 167014611 /nfs/dbraw/zinc/01/46/11/167014611.db2.gz YCFKSLROFDRRRK-CMPLNLGQSA-N 1 0 210.321 1.289 10 0 BDAERO CC(C)N1CC[C@H]([NH2+]C2(C(C)C)CC2)C1=O ZINC000339510429 167025937 /nfs/dbraw/zinc/02/59/37/167025937.db2.gz QZDJKORXQWBRSH-NSHDSACASA-N 1 0 224.348 1.774 10 0 BDAERO CC(C)[N@@H+]1CC[C@](N)(c2nccs2)C1 ZINC000045659862 167026804 /nfs/dbraw/zinc/02/68/04/167026804.db2.gz UIGCNZHDDZDIIU-SNVBAGLBSA-N 1 0 211.334 1.411 10 0 BDAERO CC(C)NC(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000037748027 167077760 /nfs/dbraw/zinc/07/77/60/167077760.db2.gz DMWOXKVRPSCTMS-SNVBAGLBSA-N 1 0 235.331 1.914 10 0 BDAERO CC(C)[NH2+]CC1CCN(c2nccn2C)CC1 ZINC000053664744 167099602 /nfs/dbraw/zinc/09/96/02/167099602.db2.gz TUQMRIVWSFMMKG-UHFFFAOYSA-N 1 0 236.363 1.635 10 0 BDAERO CC(C)[NH2+]C[C@]1(O)CCOc2ccccc21 ZINC000055028815 167117575 /nfs/dbraw/zinc/11/75/75/167117575.db2.gz NMQJKVHEWBKBCG-CYBMUJFWSA-N 1 0 221.300 1.655 10 0 BDAERO CC(C)[NH2+]Cc1cnn(-c2ccccn2)c1 ZINC000040932427 167121315 /nfs/dbraw/zinc/12/13/15/167121315.db2.gz WQXACDOPFKQMCE-UHFFFAOYSA-N 1 0 216.288 1.765 10 0 BDAERO CC(C)[NH2+]Cc1nnnn1[C@H]1CC1(C)C ZINC000054747332 167123884 /nfs/dbraw/zinc/12/38/84/167123884.db2.gz DCOCQKNUPBDNRP-QMMMGPOBSA-N 1 0 209.297 1.142 10 0 BDAERO CC[NH+](CC)CCOc1cc(C)c(N)cn1 ZINC000077336115 169781964 /nfs/dbraw/zinc/78/19/64/169781964.db2.gz XIKUDWNYAIMYNO-UHFFFAOYSA-N 1 0 223.320 1.693 10 0 BDAERO CC(C)[NH2+][C@@H](CC[N@@H+]1CCC[C@H](C)C1)C(=O)[O-] ZINC000062441089 167133183 /nfs/dbraw/zinc/13/31/83/167133183.db2.gz DEMYDSPTRYCFOF-RYUDHWBXSA-N 1 0 242.363 1.560 10 0 BDAERO CC(C)OC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044240705 167162074 /nfs/dbraw/zinc/16/20/74/167162074.db2.gz ARZKYOBRBZDWOT-ZACCUICWSA-N 1 0 226.320 1.746 10 0 BDAERO CC(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1[NH3+] ZINC000104324295 167166562 /nfs/dbraw/zinc/16/65/62/167166562.db2.gz JMUXOOIUZGCXKL-NEPJUHHUSA-N 1 0 234.299 1.746 10 0 BDAERO CC(C)OC1CC([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000309569488 167175767 /nfs/dbraw/zinc/17/57/67/167175767.db2.gz NFNITPQJNDKJFW-MCIGGMRASA-N 1 0 229.364 1.939 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000336748720 167257187 /nfs/dbraw/zinc/25/71/87/167257187.db2.gz DOUKDOZWKMMZJP-WOPDTQHZSA-N 1 0 215.337 1.957 10 0 BDAERO CC(C)OC[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308824566 167265482 /nfs/dbraw/zinc/26/54/82/167265482.db2.gz DGOCFGCKDMIUCU-WDEREUQCSA-N 1 0 217.353 1.797 10 0 BDAERO CC(C)Oc1ccc(CC[C@H](O)C[NH3+])cc1 ZINC000071531321 167292334 /nfs/dbraw/zinc/29/23/34/167292334.db2.gz DHWCKAFXVLZYDB-LBPRGKRZSA-N 1 0 223.316 1.726 10 0 BDAERO CC(C)Oc1ccc(N2C[C@H]([NH3+])CC2=O)cc1 ZINC000035679932 167295798 /nfs/dbraw/zinc/29/57/98/167295798.db2.gz AXXBZHYPWBPKEL-SNVBAGLBSA-N 1 0 234.299 1.538 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000236658839 167358906 /nfs/dbraw/zinc/35/89/06/167358906.db2.gz DAGXJMMXFWAVGK-ONGXEEELSA-N 1 0 212.337 1.522 10 0 BDAERO CC(C)[C@@H](C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000020597565 167373174 /nfs/dbraw/zinc/37/31/74/167373174.db2.gz ZRKCTYBFEJZRBS-MNOVXSKESA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000036851499 167385333 /nfs/dbraw/zinc/38/53/33/167385333.db2.gz QXXDYONZZMFBJY-ZJUUUORDSA-N 1 0 226.320 1.156 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccccn1 ZINC000655496228 410929222 /nfs/dbraw/zinc/92/92/22/410929222.db2.gz DJHPZZNDLWEOEV-DMDPSCGWSA-N 1 0 249.358 1.502 10 0 BDAERO CC(C)[C@@H]([NH3+])CNc1nnc(C(F)F)s1 ZINC000309061366 167421315 /nfs/dbraw/zinc/42/13/15/167421315.db2.gz WDGOLTZFLNSQER-YFKPBYRVSA-N 1 0 236.291 1.871 10 0 BDAERO CC(C)[C@H]1C[C@H]([NH2+]CCn2cncn2)CS1 ZINC000336677568 167503392 /nfs/dbraw/zinc/50/33/92/167503392.db2.gz QDTAJPPUQGKAFF-WDEREUQCSA-N 1 0 240.376 1.398 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](OCC)C1 ZINC000042424926 411002834 /nfs/dbraw/zinc/00/28/34/411002834.db2.gz GFGOMDHABWCFMZ-WDEREUQCSA-N 1 0 228.336 1.141 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]([NH3+])C2CCC2)o1 ZINC000399154124 411021192 /nfs/dbraw/zinc/02/11/92/411021192.db2.gz CHTIOBPCLBGMIM-SCZZXKLOSA-N 1 0 237.303 1.288 10 0 BDAERO C[C@H](Cc1ccccn1)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000655499388 411029094 /nfs/dbraw/zinc/02/90/94/411029094.db2.gz KMFNWSNAHNKBEQ-GRYCIOLGSA-N 1 0 247.342 1.256 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(N)c1 ZINC000399385610 411035224 /nfs/dbraw/zinc/03/52/24/411035224.db2.gz ZFNXSPSFRRWVGU-GXFFZTMASA-N 1 0 220.316 1.614 10 0 BDAERO CC(C)c1ccc2c(c1)[C@@](O)(C[NH3+])CC2 ZINC000019727356 167625215 /nfs/dbraw/zinc/62/52/15/167625215.db2.gz CETQGMYRHXFPPU-ZDUSSCGKSA-N 1 0 205.301 1.903 10 0 BDAERO c1cnc(NCCC2CC[NH2+]CC2)cn1 ZINC000107201498 411132734 /nfs/dbraw/zinc/13/27/34/411132734.db2.gz RHYDIQZFAHGMGZ-UHFFFAOYSA-N 1 0 206.293 1.278 10 0 BDAERO CCC[C@@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044762046 411139780 /nfs/dbraw/zinc/13/97/80/411139780.db2.gz RMPWKSXHZXRVIK-SNVBAGLBSA-N 1 0 228.336 1.047 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657911799 411164564 /nfs/dbraw/zinc/16/45/64/411164564.db2.gz OGPNYQZRUFNCIJ-NWDGAFQWSA-N 1 0 244.404 1.192 10 0 BDAERO COc1cccnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000128503835 411102467 /nfs/dbraw/zinc/10/24/67/411102467.db2.gz LNLSQCLNIONKMB-MNOVXSKESA-N 1 0 233.315 1.421 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000300393293 411121101 /nfs/dbraw/zinc/12/11/01/411121101.db2.gz XQNAEGGSIRSCFY-GMTAPVOTSA-N 1 0 228.336 1.044 10 0 BDAERO CC[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)C(C)C ZINC000309544503 411169658 /nfs/dbraw/zinc/16/96/58/411169658.db2.gz ZFVUHGZNDFQRQM-UWVGGRQHSA-N 1 0 212.337 1.535 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CCCc2cncn2C)C1 ZINC000401832470 411170743 /nfs/dbraw/zinc/17/07/43/411170743.db2.gz MUTSUCITRGHWPL-AAEUAGOBSA-N 1 0 237.347 1.055 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCOCC1 ZINC000309560039 411171146 /nfs/dbraw/zinc/17/11/46/411171146.db2.gz OEIFEUKWKMTCAD-WDEREUQCSA-N 1 0 228.336 1.045 10 0 BDAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cn[nH]c1 ZINC000310574779 411242488 /nfs/dbraw/zinc/24/24/88/411242488.db2.gz PGIQCRRBISUOTM-GXSJLCMTSA-N 1 0 236.319 1.119 10 0 BDAERO OCCN1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000657944067 411177082 /nfs/dbraw/zinc/17/70/82/411177082.db2.gz YDCQFGRQCGRQJM-CYBMUJFWSA-N 1 0 238.375 1.365 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCCO1 ZINC000129013098 411203434 /nfs/dbraw/zinc/20/34/34/411203434.db2.gz JDGWLGNEKNXYFV-MNOVXSKESA-N 1 0 228.336 1.045 10 0 BDAERO CC(C)n1cnnc1[C@H]1CCC[C@H]([NH3+])C1 ZINC000070502047 167783894 /nfs/dbraw/zinc/78/38/94/167783894.db2.gz FZWQXVMJUZEXRO-UWVGGRQHSA-N 1 0 208.309 1.844 10 0 BDAERO C[C@H](O)C1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000310099246 411210613 /nfs/dbraw/zinc/21/06/13/411210613.db2.gz AVDOJSXPOMUKSR-OBJOEFQTSA-N 1 0 241.375 1.630 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000658036819 411212477 /nfs/dbraw/zinc/21/24/77/411212477.db2.gz RONVKNQJUJCUHP-NWDGAFQWSA-N 1 0 228.405 1.956 10 0 BDAERO Cc1ccncc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000129059622 411216342 /nfs/dbraw/zinc/21/63/42/411216342.db2.gz NQSBJPCHBBHEOV-JTQLQIEISA-N 1 0 221.304 1.702 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccsc1 ZINC000129056178 411216851 /nfs/dbraw/zinc/21/68/51/411216851.db2.gz CKYDTDRUTKTZAV-JTQLQIEISA-N 1 0 226.345 1.738 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccs2)C1 ZINC000284450457 411218228 /nfs/dbraw/zinc/21/82/28/411218228.db2.gz BIMWODYWVDONEB-VHSXEESVSA-N 1 0 227.329 1.330 10 0 BDAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000658052913 411219450 /nfs/dbraw/zinc/21/94/50/411219450.db2.gz QNLZPNYXAHCNMW-LMLFDSFASA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC000660476288 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ZINC000630524431 411265533 /nfs/dbraw/zinc/26/55/33/411265533.db2.gz OGMXYXKXWHURFT-UHFFFAOYSA-N 1 0 236.319 1.013 10 0 BDAERO Cn1ccc([C@@H]2[NH2+]CC23CCOCC3)c1 ZINC000536958808 411265714 /nfs/dbraw/zinc/26/57/14/411265714.db2.gz ILQFMNNUEFBXSY-NSHDSACASA-N 1 0 206.289 1.466 10 0 BDAERO COc1cccnc1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129373934 411268201 /nfs/dbraw/zinc/26/82/01/411268201.db2.gz ZYIJOYIQAOLJMY-ZDUSSCGKSA-N 1 0 235.331 1.892 10 0 BDAERO Cc1cccnc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128882322 411272978 /nfs/dbraw/zinc/27/29/78/411272978.db2.gz BZUUWUVFLBAVFO-SNVBAGLBSA-N 1 0 221.304 1.702 10 0 BDAERO CC/C=C\CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336729460 167860568 /nfs/dbraw/zinc/86/05/68/167860568.db2.gz IZYHHKPDFNCMSL-NRFYAWERSA-N 1 0 210.321 1.599 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccncc1 ZINC000658358169 411286317 /nfs/dbraw/zinc/28/63/17/411286317.db2.gz YFSQROGYLINEGR-BMQDGWLCSA-N 1 0 206.289 1.503 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cccnc1 ZINC000128886813 411294536 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C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC[C@@H](O)C1 ZINC000309798462 411248733 /nfs/dbraw/zinc/24/87/33/411248733.db2.gz VYPQIVXFZADLIP-JHJVBQTASA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1cccs1 ZINC000128870215 411259433 /nfs/dbraw/zinc/25/94/33/411259433.db2.gz YKTIKKKNWSOAME-NSHDSACASA-N 1 0 240.372 1.780 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)C1(C)C ZINC000658355837 411351692 /nfs/dbraw/zinc/35/16/92/411351692.db2.gz JTFVTNYHYMRZTB-HCWSGVFWSA-N 1 0 227.348 1.551 10 0 BDAERO COC[C@@H]([NH2+]C1CC(CO)C1)C(C)C ZINC000658356028 411353567 /nfs/dbraw/zinc/35/35/67/411353567.db2.gz LNQDSYATTBUXOL-VQXHTEKXSA-N 1 0 201.310 1.018 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000659871960 411355742 /nfs/dbraw/zinc/35/57/42/411355742.db2.gz YEBFSLIQJMVRQI-MNOVXSKESA-N 1 0 249.301 1.648 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000659871958 411356019 /nfs/dbraw/zinc/35/60/19/411356019.db2.gz YEBFSLIQJMVRQI-GHMZBOCLSA-N 1 0 249.301 1.648 10 0 BDAERO 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230.311 1.052 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCOc2ccccc2C1 ZINC000062115856 411347997 /nfs/dbraw/zinc/34/79/97/411347997.db2.gz GEZSAAOFXIQQPK-LLVKDONJSA-N 1 0 246.310 1.017 10 0 BDAERO CC1(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)CCC1 ZINC000302399300 168045114 /nfs/dbraw/zinc/04/51/14/168045114.db2.gz JUVRJKKRHMUXFP-NEPJUHHUSA-N 1 0 236.359 1.920 10 0 BDAERO CC1(C[C@@H]([NH3+])c2ccccc2F)OCCO1 ZINC000041245500 168051715 /nfs/dbraw/zinc/05/17/15/168051715.db2.gz QJQZGAZJMSVCNY-LLVKDONJSA-N 1 0 225.263 1.979 10 0 BDAERO O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000659359399 411375477 /nfs/dbraw/zinc/37/54/77/411375477.db2.gz RBCWWZHHTXTDPJ-NNYUYHANSA-N 1 0 222.332 1.148 10 0 BDAERO CC1CCC(NC(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000037478829 168161062 /nfs/dbraw/zinc/16/10/62/168161062.db2.gz WCDNJEYBVQIBJT-OCTTZUBCSA-N 1 0 224.348 1.809 10 0 BDAERO CC1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000309421214 168163794 /nfs/dbraw/zinc/16/37/94/168163794.db2.gz JWGJZPCPXWONGT-RUJICJSRSA-N 1 0 224.348 1.822 10 0 BDAERO CC1CCC(OC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000040430345 168167491 /nfs/dbraw/zinc/16/74/91/168167491.db2.gz RHJPHUZDCFAMPA-VQXHTEKXSA-N 1 0 211.305 1.860 10 0 BDAERO CCC(=O)CCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000300118420 168199971 /nfs/dbraw/zinc/19/99/71/168199971.db2.gz HVLDYKCRUBJKKQ-CHWSQXEVSA-N 1 0 238.375 1.914 10 0 BDAERO CCC(=O)CCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000300118421 168200046 /nfs/dbraw/zinc/20/00/46/168200046.db2.gz HVLDYKCRUBJKKQ-OLZOCXBDSA-N 1 0 238.375 1.914 10 0 BDAERO CCC(=O)Cc1nc(CC[NH+](CC)CC)no1 ZINC000104073759 168210568 /nfs/dbraw/zinc/21/05/68/168210568.db2.gz SFICVATXQIZTEQ-UHFFFAOYSA-N 1 0 239.319 1.476 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CCCC2(CC2)C1 ZINC000659304423 411391255 /nfs/dbraw/zinc/39/12/55/411391255.db2.gz MKRCNPJRHAKBDQ-NWDGAFQWSA-N 1 0 236.359 1.683 10 0 BDAERO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CCC[C@H](O)C1 ZINC000659919243 411382222 /nfs/dbraw/zinc/38/22/22/411382222.db2.gz BHLNLPJQSVZAMV-JQWIXIFHSA-N 1 0 223.320 1.393 10 0 BDAERO CCC(=O)Nc1cccc(OCCC[NH3+])c1 ZINC000020224684 168247570 /nfs/dbraw/zinc/24/75/70/168247570.db2.gz AMWMWRSLQHLLJZ-UHFFFAOYSA-N 1 0 222.288 1.763 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1O ZINC000052015030 168290157 /nfs/dbraw/zinc/29/01/57/168290157.db2.gz HODGJECTTMKYBP-QWRGUYRKSA-N 1 0 242.363 1.184 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000034938651 168294300 /nfs/dbraw/zinc/29/43/00/168294300.db2.gz RHBMKVIFKLSGMJ-MNOVXSKESA-N 1 0 242.363 1.448 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000019429490 168295477 /nfs/dbraw/zinc/29/54/77/168295477.db2.gz QPEMDDVNGWAMHC-LLVKDONJSA-N 1 0 220.316 1.991 10 0 BDAERO COCC1(N(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000659337870 411397704 /nfs/dbraw/zinc/39/77/04/411397704.db2.gz NFTZGVJCGVOHOU-WDEREUQCSA-N 1 0 240.347 1.141 10 0 BDAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H](C)[NH2+]C ZINC000659338678 411398758 /nfs/dbraw/zinc/39/87/58/411398758.db2.gz AFAQFPUSBKWVCX-BDAKNGLRSA-N 1 0 200.326 1.535 10 0 BDAERO C[C@@H]1CC(CNC(=O)[C@@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000659343163 411399581 /nfs/dbraw/zinc/39/95/81/411399581.db2.gz MONKAUMNYCARME-GMXVVIOVSA-N 1 0 238.375 1.784 10 0 BDAERO C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)O1 ZINC000659360727 411402981 /nfs/dbraw/zinc/40/29/81/411402981.db2.gz FMPNTHYWJXMOQC-WISYIIOYSA-N 1 0 240.347 1.188 10 0 BDAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)O1 ZINC000659360729 411402997 /nfs/dbraw/zinc/40/29/97/411402997.db2.gz FMPNTHYWJXMOQC-WRWGMCAJSA-N 1 0 240.347 1.188 10 0 BDAERO Cc1cc(C(C)C)nc(N2CC[NH2+]C[C@H]2C)n1 ZINC000122687046 411435720 /nfs/dbraw/zinc/43/57/20/411435720.db2.gz RWPXFHPRSJCUKE-LLVKDONJSA-N 1 0 234.347 1.707 10 0 BDAERO CC[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)C(C)C ZINC000070619142 411440580 /nfs/dbraw/zinc/44/05/80/411440580.db2.gz UVZRUPLBFSEVLF-PWSUYJOCSA-N 1 0 212.337 1.679 10 0 BDAERO CC[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000070619143 411440777 /nfs/dbraw/zinc/44/07/77/411440777.db2.gz UVZRUPLBFSEVLF-CMPLNLGQSA-N 1 0 212.337 1.679 10 0 BDAERO CC[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C ZINC000070619144 411440861 /nfs/dbraw/zinc/44/08/61/411440861.db2.gz UVZRUPLBFSEVLF-ZYHUDNBSSA-N 1 0 212.337 1.679 10 0 BDAERO CCN(Cc1ccco1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114955 169922402 /nfs/dbraw/zinc/92/24/02/169922402.db2.gz MUAJEDQCZHCOAH-SNVBAGLBSA-N 1 0 222.288 1.238 10 0 BDAERO CCN(Cc1ccncc1)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037822743 169924035 /nfs/dbraw/zinc/92/40/35/169924035.db2.gz RDOPJXBYTNYRIO-CQSZACIVSA-N 1 0 247.342 1.558 10 0 BDAERO CC[C@H]1C[C@H]([NH2+]CCn2cc(C)cn2)CO1 ZINC000657354100 411474164 /nfs/dbraw/zinc/47/41/64/411474164.db2.gz ZBVAGLXHABUXLP-RYUDHWBXSA-N 1 0 223.320 1.349 10 0 BDAERO CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CO1 ZINC000657358919 411475507 /nfs/dbraw/zinc/47/55/07/411475507.db2.gz HTHQLUMLYUYQTA-MXWKQRLJSA-N 1 0 215.337 1.551 10 0 BDAERO Cc1ncc(C[NH2+]C[C@@H](O)C(C)(C)C)n1C ZINC000657358747 411476007 /nfs/dbraw/zinc/47/60/07/411476007.db2.gz GSXMOSUBJMXZIG-LLVKDONJSA-N 1 0 225.336 1.225 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)CO1 ZINC000657358916 411476103 /nfs/dbraw/zinc/47/61/03/411476103.db2.gz HTHQLUMLYUYQTA-AXFHLTTASA-N 1 0 215.337 1.551 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407272029 411477042 /nfs/dbraw/zinc/47/70/42/411477042.db2.gz PXFZBYNEEWKTCV-PXIYARARSA-N 1 0 208.305 1.042 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CO1 ZINC000657371506 411484941 /nfs/dbraw/zinc/48/49/41/411484941.db2.gz WUDCMTTYUXPRKC-WUHRBBMRSA-N 1 0 227.348 1.695 10 0 BDAERO CCN(c1ccccc1)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000022161935 169943190 /nfs/dbraw/zinc/94/31/90/169943190.db2.gz IYZZNAZHRXKUJC-TZMCWYRMSA-N 1 0 234.343 1.877 10 0 BDAERO CCN(c1ccccc1)c1nc[nH+]c(NN)c1N ZINC000040679671 169943958 /nfs/dbraw/zinc/94/39/58/169943958.db2.gz BGCULGGRSHZIRI-UHFFFAOYSA-N 1 0 244.302 1.502 10 0 BDAERO C[N@H+](C[C@H](O)C1CC1)C[C@@H]1CCC[C@H](O)C1 ZINC000659995067 411522380 /nfs/dbraw/zinc/52/23/80/411522380.db2.gz QLLQAMNIDWLGIE-WXHSDQCUSA-N 1 0 227.348 1.240 10 0 BDAERO CCN1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000071511139 170000839 /nfs/dbraw/zinc/00/08/39/170000839.db2.gz DPXNSKZNUDQHLJ-LBPRGKRZSA-N 1 0 208.280 1.792 10 0 BDAERO CCN1CCO[C@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069797616 170006250 /nfs/dbraw/zinc/00/62/50/170006250.db2.gz IHYHVOPKIDYLEC-OLZOCXBDSA-N 1 0 220.316 1.407 10 0 BDAERO CC[N@@H+]1CC[C@@H](N2CCOCC2)[C@H](C)C1 ZINC000073653878 170011899 /nfs/dbraw/zinc/01/18/99/170011899.db2.gz UOGVURCHMXHKEW-VXGBXAGGSA-N 1 0 212.337 1.049 10 0 BDAERO CC[N@@H+]1CC[C@@H](N=c2[nH]c3ccccc3o2)C1 ZINC000334578491 170012385 /nfs/dbraw/zinc/01/23/85/170012385.db2.gz JQFGAGHKFALWDX-SNVBAGLBSA-N 1 0 231.299 1.756 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2cc(Cl)ncn2)C1 ZINC000048631293 170016959 /nfs/dbraw/zinc/01/69/59/170016959.db2.gz KCDDSKRIKVCSHP-SECBINFHSA-N 1 0 240.738 1.884 10 0 BDAERO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000660118785 411539644 /nfs/dbraw/zinc/53/96/44/411539644.db2.gz WUAIWGWELHFQIW-FQUUOJAGSA-N 1 0 241.375 1.630 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2snnc2C)C1 ZINC000309678421 170030674 /nfs/dbraw/zinc/03/06/74/170030674.db2.gz YSJNCSVZDDLPOO-SCZZXKLOSA-N 1 0 240.376 1.276 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2nc(C)cs2)C1 ZINC000309648219 170038206 /nfs/dbraw/zinc/03/82/06/170038206.db2.gz NAIODJFGKMYWDN-GXSJLCMTSA-N 1 0 239.388 1.881 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000309835930 170038556 /nfs/dbraw/zinc/03/85/56/170038556.db2.gz BBRVPIPVZRUAOV-UHTWSYAYSA-N 1 0 226.364 1.341 10 0 BDAERO CCNC(=O)CN(CC)c1ccccc1C[NH2+]C ZINC000042370526 170057563 /nfs/dbraw/zinc/05/75/63/170057563.db2.gz VSUZZAZGAQTGLA-UHFFFAOYSA-N 1 0 249.358 1.368 10 0 BDAERO CCNC(=O)COc1ccc([C@H]([NH3+])CC)cc1 ZINC000022216144 170068002 /nfs/dbraw/zinc/06/80/02/170068002.db2.gz YRQHHXKCCIGRNO-GFCCVEGCSA-N 1 0 236.315 1.611 10 0 BDAERO CCNC(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000037757898 170071721 /nfs/dbraw/zinc/07/17/21/170071721.db2.gz GUUVDVAAULOVGU-UHFFFAOYSA-N 1 0 221.304 1.307 10 0 BDAERO CCNC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000034978090 170084222 /nfs/dbraw/zinc/08/42/22/170084222.db2.gz ZYWBCQYWSPLUPF-MRVPVSSYSA-N 1 0 207.277 1.848 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000061291317 170107514 /nfs/dbraw/zinc/10/75/14/170107514.db2.gz LMGDXNQRGWEIMQ-UHFFFAOYSA-N 1 0 246.314 1.890 10 0 BDAERO CC[NH2+]C1(C(N)=O)CCC(C(C)C)CC1 ZINC000054557310 170108193 /nfs/dbraw/zinc/10/81/93/170108193.db2.gz QUZVDNKRZUPUFG-UHFFFAOYSA-N 1 0 212.337 1.666 10 0 BDAERO CC[NH2+]CC(=O)Nc1cc(F)cc(F)c1F ZINC000061118829 170110006 /nfs/dbraw/zinc/11/00/06/170110006.db2.gz YIQYIUBKBWBHTC-UHFFFAOYSA-N 1 0 232.205 1.652 10 0 BDAERO CC[NH2+]CC1(S(C)(=O)=O)CCCCCC1 ZINC000053737709 170110929 /nfs/dbraw/zinc/11/09/29/170110929.db2.gz XFWHTAVCKPJPGB-UHFFFAOYSA-N 1 0 233.377 1.734 10 0 BDAERO CC[NH2+]CC(=O)c1cc(OC)ccc1OC ZINC000041613943 170110993 /nfs/dbraw/zinc/11/09/93/170110993.db2.gz SRSRKWDGMRJBSM-UHFFFAOYSA-N 1 0 223.272 1.496 10 0 BDAERO CC[NH2+]CCC(=O)c1cccc(OC)c1 ZINC000038524082 170111832 /nfs/dbraw/zinc/11/18/32/170111832.db2.gz YFSHULDVAMOEDS-UHFFFAOYSA-N 1 0 207.273 1.878 10 0 BDAERO CC[NH2+]CC[C@H](O)c1ccccc1OC ZINC000049814563 170116974 /nfs/dbraw/zinc/11/69/74/170116974.db2.gz WHMSIPCIPHBFHT-NSHDSACASA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccncc1 ZINC000061229784 170117951 /nfs/dbraw/zinc/11/79/51/170117951.db2.gz QJDYYPCDSZCOJG-LLVKDONJSA-N 1 0 235.331 1.286 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(C)CCc1ccncc1 ZINC000061234360 170118419 /nfs/dbraw/zinc/11/84/19/170118419.db2.gz GFFSNYXWZSYAEH-GFCCVEGCSA-N 1 0 249.358 1.328 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cccc(CC)c1 ZINC000032014550 170119172 /nfs/dbraw/zinc/11/91/72/170119172.db2.gz XSIISLFRRPOLMD-GFCCVEGCSA-N 1 0 223.316 1.598 10 0 BDAERO CC[NH2+]C[C@@H](C)c1nnc2cc(C)ncn21 ZINC000061219801 170119178 /nfs/dbraw/zinc/11/91/78/170119178.db2.gz DKTKUUJNRABQFI-MRVPVSSYSA-N 1 0 219.292 1.146 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000071518927 170119363 /nfs/dbraw/zinc/11/93/63/170119363.db2.gz OILYRYMTQDNTHJ-NSHDSACASA-N 1 0 213.708 1.853 10 0 BDAERO CC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000037871989 170120406 /nfs/dbraw/zinc/12/04/06/170120406.db2.gz HYHZEJGTDAEWFY-SECBINFHSA-N 1 0 201.216 1.608 10 0 BDAERO CC[NH2+]C[C@H](C)N1CCOC(C)(C)C1 ZINC000052481729 170121784 /nfs/dbraw/zinc/12/17/84/170121784.db2.gz ZPUYJIPFRYRTFO-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]C[C@H](O)c1cc(Cl)ccc1OC ZINC000049821526 170122385 /nfs/dbraw/zinc/12/23/85/170122385.db2.gz FISKLQAZARKWMH-JTQLQIEISA-N 1 0 229.707 1.992 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1cc(C)cc(C)c1 ZINC000071510627 170122403 /nfs/dbraw/zinc/12/24/03/170122403.db2.gz BSVLZLANWLRXBQ-CYBMUJFWSA-N 1 0 207.317 1.816 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc(OC)c(F)c1 ZINC000049815337 170123103 /nfs/dbraw/zinc/12/31/03/170123103.db2.gz VMGMITKWYUROBC-JTQLQIEISA-N 1 0 213.252 1.477 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1ccc(F)c(F)c1 ZINC000055032902 170123844 /nfs/dbraw/zinc/12/38/44/170123844.db2.gz LQIUUIYFLSRRKR-NSHDSACASA-N 1 0 215.243 1.782 10 0 BDAERO CC[NH2+]Cc1ccc(-n2ccnc2CC)nn1 ZINC000051518072 170126522 /nfs/dbraw/zinc/12/65/22/170126522.db2.gz SSOZUOQRZPKFPD-UHFFFAOYSA-N 1 0 231.303 1.334 10 0 BDAERO CC[NH2+]Cc1cc2cccc(C)c2[nH]c1=O ZINC000034797775 170126619 /nfs/dbraw/zinc/12/66/19/170126619.db2.gz CWAKEJJKYUQGSB-UHFFFAOYSA-N 1 0 216.284 1.946 10 0 BDAERO CC[NH2+]Cc1ccc(N(C)[C@H](C)COC)nn1 ZINC000051482939 170127795 /nfs/dbraw/zinc/12/77/95/170127795.db2.gz YTLXLANEMYJZHO-SNVBAGLBSA-N 1 0 238.335 1.057 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1cc(F)ccc1F ZINC000054744310 170131235 /nfs/dbraw/zinc/13/12/35/170131235.db2.gz CYXPSZBHWFPUCT-UHFFFAOYSA-N 1 0 239.229 1.050 10 0 BDAERO CC[NH2+]Cc1nnnn1C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104237854 170131544 /nfs/dbraw/zinc/13/15/44/170131544.db2.gz OALODSPTWGPDHJ-AXFHLTTASA-N 1 0 235.335 1.219 10 0 BDAERO CC[NH2+][C@@H](C)CN1C(=O)c2ccccc2C1=O ZINC000043995881 170138769 /nfs/dbraw/zinc/13/87/69/170138769.db2.gz OXEXEQWHVPKPGM-VIFPVBQESA-N 1 0 232.283 1.281 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)Nc1nc2ccccc2[nH]1 ZINC000104117644 170139346 /nfs/dbraw/zinc/13/93/46/170139346.db2.gz ZYOFMGAEZAQTJF-VIFPVBQESA-N 1 0 246.314 1.890 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCCO[C@H](C)C1 ZINC000061920157 170139435 /nfs/dbraw/zinc/13/94/35/170139435.db2.gz AYYXWFMENYYDKT-WDEREUQCSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(OC)c(F)c1 ZINC000071533162 170141029 /nfs/dbraw/zinc/14/10/29/170141029.db2.gz BWMSAKFRSYRKSM-QPUJVOFHSA-N 1 0 227.279 1.866 10 0 BDAERO CC[NH2+][C@@H](C)c1ccccc1NC(N)=O ZINC000035645870 170141881 /nfs/dbraw/zinc/14/18/81/170141881.db2.gz NCVNNPJZMAFZAQ-QMMMGPOBSA-N 1 0 207.277 1.848 10 0 BDAERO CC[NH2+][C@@H](C)c1nnc(-c2ccccn2)o1 ZINC000050619025 170142694 /nfs/dbraw/zinc/14/26/94/170142694.db2.gz QYSURKSFRJVOLA-QMMMGPOBSA-N 1 0 218.260 1.802 10 0 BDAERO CC[NH2+][C@@H](CC)CN1C(=O)CC(C)(C)CC1=O ZINC000061828139 170144331 /nfs/dbraw/zinc/14/43/31/170144331.db2.gz JXKUYPVTYCTCEX-JTQLQIEISA-N 1 0 240.347 1.550 10 0 BDAERO CC[NH2+][C@@H](CO)c1ccc2c(c1)CCO2 ZINC000038120473 170144652 /nfs/dbraw/zinc/14/46/52/170144652.db2.gz GYRDBQNDJVWTQY-NSHDSACASA-N 1 0 207.273 1.264 10 0 BDAERO CC[NH2+][C@@H]([C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000043300869 170146805 /nfs/dbraw/zinc/14/68/05/170146805.db2.gz OONNVIRKLWZWNL-ZJUUUORDSA-N 1 0 233.377 1.445 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCOC(C)(C)C1 ZINC000053868236 170150873 /nfs/dbraw/zinc/15/08/73/170150873.db2.gz WPHGTBHOSBYXEQ-CHWSQXEVSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@@H]1CCCCC[C@@H]1n1cncn1 ZINC000043991412 170151056 /nfs/dbraw/zinc/15/10/56/170151056.db2.gz HZFUFOKCPFJQMS-MNOVXSKESA-N 1 0 208.309 1.761 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccc(OC)nc2)C1 ZINC000062073729 170151627 /nfs/dbraw/zinc/15/16/27/170151627.db2.gz WWPHYYCZYKFIIO-GFCCVEGCSA-N 1 0 235.331 1.274 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C1=O ZINC000049660127 170152109 /nfs/dbraw/zinc/15/21/09/170152109.db2.gz JEOINMSETSZADS-SNVBAGLBSA-N 1 0 239.344 1.162 10 0 BDAERO CC[NH2+][C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000035762807 170152849 /nfs/dbraw/zinc/15/28/49/170152849.db2.gz HGOQURMMALSKAO-SNVBAGLBSA-N 1 0 243.303 1.654 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1cc(C)c(O)c(C)c1 ZINC000037869729 170156039 /nfs/dbraw/zinc/15/60/39/170156039.db2.gz QYXYCBVZHVXANR-JTQLQIEISA-N 1 0 222.288 1.145 10 0 BDAERO CC[NH2+][C@H](C)CN(C)C1CCOCC1 ZINC000043898425 170156732 /nfs/dbraw/zinc/15/67/32/170156732.db2.gz ONBFTJDWXZDVRX-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+][C@H](C)CCCn1c(C)nc(C)cc1=O ZINC000104266015 170156770 /nfs/dbraw/zinc/15/67/70/170156770.db2.gz QKKSWBPYYRTYPM-SNVBAGLBSA-N 1 0 237.347 1.638 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCCO[C@H](C)C1 ZINC000061920158 170156806 /nfs/dbraw/zinc/15/68/06/170156806.db2.gz AYYXWFMENYYDKT-GHMZBOCLSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020084553 170159534 /nfs/dbraw/zinc/15/95/34/170159534.db2.gz XTBUSCIQCAEFQK-SSDOTTSWSA-N 1 0 205.261 1.527 10 0 BDAERO CC[NH2+][C@H](C)c1nnc(-c2cn[nH]c2)o1 ZINC000062780075 170160464 /nfs/dbraw/zinc/16/04/64/170160464.db2.gz WKQSDFRDBZOMIA-ZCFIWIBFSA-N 1 0 207.237 1.130 10 0 BDAERO CC[NH2+][C@H](c1cccnc1)c1cncnc1 ZINC000052887090 170165101 /nfs/dbraw/zinc/16/51/01/170165101.db2.gz GBAUHVCBDRGPFQ-GFCCVEGCSA-N 1 0 214.272 1.571 10 0 BDAERO CC[NH2+][C@@H](c1cnn(C)c1)c1cccnc1 ZINC000035555701 170165117 /nfs/dbraw/zinc/16/51/17/170165117.db2.gz FCHINAZITWCURJ-GFCCVEGCSA-N 1 0 216.288 1.514 10 0 BDAERO CC[NH2+][C@H]1CCC[C@@H]1N1CCCOCC1 ZINC000061918052 170167085 /nfs/dbraw/zinc/16/70/85/170167085.db2.gz RPSMELOLIBSKBX-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cccc(F)c2)C1=O ZINC000049647982 170167445 /nfs/dbraw/zinc/16/74/45/170167445.db2.gz JGOXQOHLEMQKRY-LBPRGKRZSA-N 1 0 236.290 1.536 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccc(OC)nc2)C1 ZINC000062073730 170167756 /nfs/dbraw/zinc/16/77/56/170167756.db2.gz WWPHYYCZYKFIIO-LBPRGKRZSA-N 1 0 235.331 1.274 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccccc2C)C1=O ZINC000049647942 170168113 /nfs/dbraw/zinc/16/81/13/170168113.db2.gz UDKACHLJHMBYEF-NSHDSACASA-N 1 0 218.300 1.710 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cccnc2)C[C@@H]1C ZINC000049712446 170168142 /nfs/dbraw/zinc/16/81/42/170168142.db2.gz IBCYUZCVGWLDSN-JSGCOSHPSA-N 1 0 233.359 1.902 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C1 ZINC000049533894 170168343 /nfs/dbraw/zinc/16/83/43/170168343.db2.gz KEBRKMNRJSLRBZ-JTQLQIEISA-N 1 0 225.361 1.635 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@H]1n1cc(C)cn1 ZINC000043999577 170168526 /nfs/dbraw/zinc/16/85/26/170168526.db2.gz XZPWRBNRVBEGPY-WDEREUQCSA-N 1 0 209.293 1.131 10 0 BDAERO CC[NH2+][C@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974184 170169142 /nfs/dbraw/zinc/16/91/42/170169142.db2.gz PEEJRKCCHKMGME-BONVTDFDSA-N 1 0 227.304 1.988 10 0 BDAERO CCN[C@H]1c2cc(F)ccc2S(=O)(=O)[C@@H]1C ZINC000043636327 170169655 /nfs/dbraw/zinc/16/96/55/170169655.db2.gz XYKJREPMPZVFQB-RDDDGLTNSA-N 1 0 243.303 1.652 10 0 BDAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(Cl)cc1 ZINC000037447633 170170658 /nfs/dbraw/zinc/17/06/58/170170658.db2.gz UAZXXFLSHBIZMM-NSHDSACASA-N 1 0 226.707 1.650 10 0 BDAERO CCNc1ncccc1C[N@@H+]1CCC[C@@H]1CO ZINC000052728240 170178442 /nfs/dbraw/zinc/17/84/42/170178442.db2.gz XKJSNFLHKZIUGE-GFCCVEGCSA-N 1 0 235.331 1.470 10 0 BDAERO CCOC(=O)C[N@H+](CC)[C@H]1CCCC[C@@H]1O ZINC000050051285 170217226 /nfs/dbraw/zinc/21/72/26/170217226.db2.gz MQNIJYOPOBTQBR-QWRGUYRKSA-N 1 0 229.320 1.175 10 0 BDAERO CCOC(=O)CN1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104417251 170219296 /nfs/dbraw/zinc/21/92/96/170219296.db2.gz RVNMEZOGXGNUGX-GFCCVEGCSA-N 1 0 240.347 1.156 10 0 BDAERO CCOC(=O)C[C@H]([NH3+])c1cc(F)cc(F)c1 ZINC000002540656 170233916 /nfs/dbraw/zinc/23/39/16/170233916.db2.gz HTVUQUATLOWFDK-JTQLQIEISA-N 1 0 229.226 1.918 10 0 BDAERO CCOC(=O)N(CC[NH3+])Cc1ccc(F)cc1 ZINC000253575294 170238395 /nfs/dbraw/zinc/23/83/95/170238395.db2.gz ULAJHNCHXDOLLB-UHFFFAOYSA-N 1 0 240.278 1.743 10 0 BDAERO CCOC(=O)[C@@H](C)C[NH2+]Cc1ncccc1C ZINC000071340087 170246252 /nfs/dbraw/zinc/24/62/52/170246252.db2.gz HINKEJPFFDZLBH-NSHDSACASA-N 1 0 236.315 1.679 10 0 BDAERO CCOC(=O)[C@@H](C)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000114749916 170248433 /nfs/dbraw/zinc/24/84/33/170248433.db2.gz KPZGFPBBJHHUMH-SNVBAGLBSA-N 1 0 248.326 1.996 10 0 BDAERO CCOC(=O)[C@@H](CC[N@@H+]1CCCC1(C)C)NC ZINC000063072764 170250577 /nfs/dbraw/zinc/25/05/77/170250577.db2.gz PJRDJHNXKLUHCU-LLVKDONJSA-N 1 0 242.363 1.402 10 0 BDAERO CCOC(=O)c1ccc([C@H]2CC[NH2+]C2)nc1 ZINC000095761608 170297607 /nfs/dbraw/zinc/29/76/07/170297607.db2.gz QKLSWAKEIFJZJS-VIFPVBQESA-N 1 0 220.272 1.335 10 0 BDAERO CCOC(=O)c1cccnc1NC(C)(C)C[NH3+] ZINC000063020807 170300159 /nfs/dbraw/zinc/30/01/59/170300159.db2.gz UPQFYWKIUZRDDQ-UHFFFAOYSA-N 1 0 237.303 1.408 10 0 BDAERO CCOC(=O)c1ccccc1N[C@H]1CC[N@H+](C)C1 ZINC000061984956 170300350 /nfs/dbraw/zinc/30/03/50/170300350.db2.gz FPNQNJFKTFDSIU-NSHDSACASA-N 1 0 248.326 1.979 10 0 BDAERO CCOC1CCN([C@@H](C)[C@H](C)[NH3+])CC1 ZINC000041053898 170332460 /nfs/dbraw/zinc/33/24/60/170332460.db2.gz DDHAWXMFYUOUNI-UWVGGRQHSA-N 1 0 200.326 1.223 10 0 BDAERO CCOCCC(=O)N[C@H]1c2ccccc2C[C@H]1[NH3+] ZINC000104308251 170362726 /nfs/dbraw/zinc/36/27/26/170362726.db2.gz XXFBZFFJOFSBFN-OCCSQVGLSA-N 1 0 248.326 1.154 10 0 BDAERO CCOCCCNC(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000055123926 170378691 /nfs/dbraw/zinc/37/86/91/170378691.db2.gz NKGQGDNWORSUTA-UTUOFQBUSA-N 1 0 242.363 1.293 10 0 BDAERO CCOCCC[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000076519211 170380243 /nfs/dbraw/zinc/38/02/43/170380243.db2.gz MAZRGEDJWSHVIH-CYBMUJFWSA-N 1 0 228.380 1.733 10 0 BDAERO CCOCCC[NH2+]C[C@@H](C)OC[C@@H]1CCCO1 ZINC000053556724 170380478 /nfs/dbraw/zinc/38/04/78/170380478.db2.gz MKNDWGDFBVYKES-OLZOCXBDSA-N 1 0 245.363 1.587 10 0 BDAERO CCOCCC[NH2+]CCOc1ccc(C)nc1 ZINC000053590023 170380548 /nfs/dbraw/zinc/38/05/48/170380548.db2.gz FTRAHQMTOJENJX-UHFFFAOYSA-N 1 0 238.331 1.785 10 0 BDAERO CCOCCC[NH2+]CCN1CCC(C)CC1 ZINC000041626599 170380599 /nfs/dbraw/zinc/38/05/99/170380599.db2.gz YUVZXCNAYIKCFH-UHFFFAOYSA-N 1 0 228.380 1.735 10 0 BDAERO CCOCCC[NH2+]C[C@@H](C)OC[C@H]1CCCO1 ZINC000053556732 170380605 /nfs/dbraw/zinc/38/06/05/170380605.db2.gz MKNDWGDFBVYKES-CHWSQXEVSA-N 1 0 245.363 1.587 10 0 BDAERO CCOCCC[NH2+][C@@H](C)C(=O)N[C@H](C)CC ZINC000034938515 170381805 /nfs/dbraw/zinc/38/18/05/170381805.db2.gz VOEJLXKSEJHRGT-MNOVXSKESA-N 1 0 230.352 1.306 10 0 BDAERO CCOCC[N@@H+]1CCN(CCOC)C[C@@H]1CC ZINC000105838035 170399888 /nfs/dbraw/zinc/39/98/88/170399888.db2.gz GSZCBEHYWOEUMZ-ZDUSSCGKSA-N 1 0 244.379 1.066 10 0 BDAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]3COC[C@@H]32)C1 ZINC000660778606 411627237 /nfs/dbraw/zinc/62/72/37/411627237.db2.gz FOYDRSACLMZPFP-MQYQWHSLSA-N 1 0 239.359 1.648 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCOC1(C)C ZINC000663371714 411638542 /nfs/dbraw/zinc/63/85/42/411638542.db2.gz VXFRYMAXEKPMLP-GHMZBOCLSA-N 1 0 229.364 1.798 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCOC1(C)C ZINC000663371716 411638698 /nfs/dbraw/zinc/63/86/98/411638698.db2.gz VXFRYMAXEKPMLP-MNOVXSKESA-N 1 0 229.364 1.798 10 0 BDAERO Cc1ccc(C)c(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000657693425 411579707 /nfs/dbraw/zinc/57/97/07/411579707.db2.gz CKYWLORSDHATCU-ZDUSSCGKSA-N 1 0 246.354 1.871 10 0 BDAERO CCC[C@@H](C)C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694562 411581029 /nfs/dbraw/zinc/58/10/29/411581029.db2.gz GADGCUFGLAGACE-GHMZBOCLSA-N 1 0 212.337 1.491 10 0 BDAERO Cc1cccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1C ZINC000657695357 411581218 /nfs/dbraw/zinc/58/12/18/411581218.db2.gz ZAPWRAFKNKLBHT-CYBMUJFWSA-N 1 0 246.354 1.871 10 0 BDAERO CN1C[C@H](C[NH2+]C/C=C/c2ccccc2)CC1=O ZINC000657697150 411581687 /nfs/dbraw/zinc/58/16/87/411581687.db2.gz NBVDMGGPKKVMLQ-GPAKFWEMSA-N 1 0 244.338 1.768 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000660476831 411590749 /nfs/dbraw/zinc/59/07/49/411590749.db2.gz HLPVBJWABXMVMZ-MWLCHTKSSA-N 1 0 208.305 1.209 10 0 BDAERO Cc1noc(C)c1C[NH2+]C1CC(CO)C1 ZINC000657808580 411601265 /nfs/dbraw/zinc/60/12/65/411601265.db2.gz MAWZYVMFDHCCPQ-UHFFFAOYSA-N 1 0 210.277 1.152 10 0 BDAERO CCOc1ccccc1C[NH2+]C1CC(CO)C1 ZINC000657808881 411601577 /nfs/dbraw/zinc/60/15/77/411601577.db2.gz PWXOZZWJCOVHRD-UHFFFAOYSA-N 1 0 235.327 1.946 10 0 BDAERO CCc1cnc(C[NH2+]C2CC(CO)C2)s1 ZINC000657811305 411602971 /nfs/dbraw/zinc/60/29/71/411602971.db2.gz VAEYCZFXKUYXJY-UHFFFAOYSA-N 1 0 226.345 1.566 10 0 BDAERO CO[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)C1CCC1 ZINC000660613250 411606968 /nfs/dbraw/zinc/60/69/68/411606968.db2.gz LPZVXQWPNKETOO-YUSALJHKSA-N 1 0 213.321 1.569 10 0 BDAERO CCOc1ccc(C[C@H](C)[NH3+])cc1OC ZINC000037727059 170547367 /nfs/dbraw/zinc/54/73/67/170547367.db2.gz RVWFZIVXDDQMII-VIFPVBQESA-N 1 0 209.289 1.984 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661169979 411725813 /nfs/dbraw/zinc/72/58/13/411725813.db2.gz VWZIUIGVANCFCH-OLZOCXBDSA-N 1 0 227.348 1.648 10 0 BDAERO CC[C@H]([NH2+]Cc1nnc(C)n1CC)C1CC1 ZINC000661757774 411868092 /nfs/dbraw/zinc/86/80/92/411868092.db2.gz HUUPRWYJJQJQIV-NSHDSACASA-N 1 0 222.336 1.885 10 0 BDAERO CC[C@@H](C)[NH2+]Cc1nnc2nc(C)cc(C)n12 ZINC000037605252 170754988 /nfs/dbraw/zinc/75/49/88/170754988.db2.gz HVMMRBVBFJQODN-MRVPVSSYSA-N 1 0 233.319 1.629 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2cc(N)n[nH]2)C1 ZINC000616650337 411856497 /nfs/dbraw/zinc/85/64/97/411856497.db2.gz XRBLAVNLWXJMKQ-JTQLQIEISA-N 1 0 238.335 1.554 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1c[nH]nc1N ZINC000616606404 411860343 /nfs/dbraw/zinc/86/03/43/411860343.db2.gz AKVCHJKTNACJTP-SECBINFHSA-N 1 0 208.309 1.927 10 0 BDAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020133299 170773839 /nfs/dbraw/zinc/77/38/39/170773839.db2.gz OEQRCJNYXISDFM-OPRDCNLKSA-N 1 0 219.350 1.198 10 0 BDAERO Cc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000133681798 411895890 /nfs/dbraw/zinc/89/58/90/411895890.db2.gz GGKFSWYFVWOYFG-SNVBAGLBSA-N 1 0 234.299 1.040 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccnc(N)c1 ZINC000616599625 411870399 /nfs/dbraw/zinc/87/03/99/411870399.db2.gz SRQZCGQHOYPEJN-GFCCVEGCSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)[N@@H+]1CCC[C@H](n2ccc(N)n2)C1 ZINC000616618503 411870942 /nfs/dbraw/zinc/87/09/42/411870942.db2.gz XSBJOKFDBWTFFX-JTQLQIEISA-N 1 0 208.309 1.511 10 0 BDAERO CC[C@@H]([NH3+])C[C@H](N)C(=O)OCc1ccccc1 ZINC000141436272 170865610 /nfs/dbraw/zinc/86/56/10/170865610.db2.gz KEWAVIHAPYVGBK-NEPJUHHUSA-N 1 0 236.315 1.185 10 0 BDAERO CC[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(C)cc1 ZINC000091406901 170874969 /nfs/dbraw/zinc/87/49/69/170874969.db2.gz DZHRNZFHCPJVTD-CYBMUJFWSA-N 1 0 232.327 1.782 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C)C[C@@]1(C)CO ZINC000662142631 411990967 /nfs/dbraw/zinc/99/09/67/411990967.db2.gz KTLNFJCYDUIRHG-AGIUHOORSA-N 1 0 226.364 1.031 10 0 BDAERO Nc1ccc([C@@H]2[NH2+]CCc3ccccc32)cn1 ZINC000616588308 411960043 /nfs/dbraw/zinc/96/00/43/411960043.db2.gz QDMJHFMTMLZEJN-AWEZNQCLSA-N 1 0 225.295 1.899 10 0 BDAERO CC[C@@H]1CCN(CCc2ccccn2)CC[NH2+]1 ZINC000049662113 171010526 /nfs/dbraw/zinc/01/05/26/171010526.db2.gz RZMVMAVABLLHGZ-CYBMUJFWSA-N 1 0 233.359 1.698 10 0 BDAERO CC[C@@H]1CCN(CCc2ccco2)CC[NH2+]1 ZINC000049662432 171010556 /nfs/dbraw/zinc/01/05/56/171010556.db2.gz QRHHGNBJIAUZTN-GFCCVEGCSA-N 1 0 222.332 1.896 10 0 BDAERO CC[C@@H]1CCN(Cc2ccnc(OC)c2)CC[NH2+]1 ZINC000062076162 171012506 /nfs/dbraw/zinc/01/25/06/171012506.db2.gz BIPRTQOCYGRRSK-CYBMUJFWSA-N 1 0 249.358 1.664 10 0 BDAERO CC[C@@H]1CN(CC2([NH3+])CCCC2)CCO1 ZINC000037479628 171079196 /nfs/dbraw/zinc/07/91/96/171079196.db2.gz KPNRTVGGDPMBJJ-LLVKDONJSA-N 1 0 212.337 1.369 10 0 BDAERO CC[C@@H]1CN(C[C@@H]2CCCO2)[C@H](CC)C[NH2+]1 ZINC000082936537 171085974 /nfs/dbraw/zinc/08/59/74/171085974.db2.gz FAMOJEPJFPNONA-UPJWGTAASA-N 1 0 226.364 1.628 10 0 BDAERO CC[C@@H]1CN(Cc2cc(C[NH3+])co2)CCO1 ZINC000052477233 171089374 /nfs/dbraw/zinc/08/93/74/171089374.db2.gz RNPCZRHKZOWSEK-LLVKDONJSA-N 1 0 224.304 1.349 10 0 BDAERO CC[C@@H]1CN([C@@H](C)COC)[C@H](CC)C[NH2+]1 ZINC000083088060 171093553 /nfs/dbraw/zinc/09/35/53/171093553.db2.gz UCUWPVKRCVHLNB-QJPTWQEYSA-N 1 0 214.353 1.484 10 0 BDAERO CC[C@@H]1CN(c2nc(C)c(C[NH3+])s2)CCO1 ZINC000054997376 171097494 /nfs/dbraw/zinc/09/74/94/171097494.db2.gz HJJCUWMWBDZCQT-SECBINFHSA-N 1 0 241.360 1.525 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1nccs1 ZINC000083346782 171103197 /nfs/dbraw/zinc/10/31/97/171103197.db2.gz NJFXTWBSDBFWDY-RKDXNWHRSA-N 1 0 211.334 1.720 10 0 BDAERO CC[C@@H]1COCCN1C(=O)CCC[NH2+]C(C)C ZINC000037633596 171103349 /nfs/dbraw/zinc/10/33/49/171103349.db2.gz LNBCXRTWZGGAJI-GFCCVEGCSA-N 1 0 242.363 1.402 10 0 BDAERO CC[C@@H]1COCCN1CC(C)(C)[NH2+]C ZINC000061319612 171105427 /nfs/dbraw/zinc/10/54/27/171105427.db2.gz NPDVICZNFNHYIK-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO CC[C@@](C)(CO)CN1CC[NH+](C(C)(C)C)CC1 ZINC000051295489 171167378 /nfs/dbraw/zinc/16/73/78/171167378.db2.gz DOWGQSFDQSNLRA-CQSZACIVSA-N 1 0 242.407 1.811 10 0 BDAERO CC[C@@](O)(C[NH2+]C)c1cc(OC)ccc1OC ZINC000033468711 171194105 /nfs/dbraw/zinc/19/41/05/171194105.db2.gz KQWSXZGYVMLOTK-CYBMUJFWSA-N 1 0 239.315 1.521 10 0 BDAERO CC[C@@]1(C(=O)N(C)[C@@H](C)COC)CCC[NH2+]C1 ZINC000062857281 171194550 /nfs/dbraw/zinc/19/45/50/171194550.db2.gz FGUDTYXYTIYJOA-WCQYABFASA-N 1 0 242.363 1.260 10 0 BDAERO CC[C@@]1(C)C(OC)=NN=C1C1CC[NH2+]CC1 ZINC000039102464 171197582 /nfs/dbraw/zinc/19/75/82/171197582.db2.gz APPHSVDHPOKCQD-GFCCVEGCSA-N 1 0 223.320 1.817 10 0 BDAERO CC[C@H](C(=O)OCC[NH3+])c1ccccc1 ZINC000097758241 171241851 /nfs/dbraw/zinc/24/18/51/171241851.db2.gz ZBRDWHVFKVATHR-NSHDSACASA-N 1 0 207.273 1.682 10 0 BDAERO CC[C@H](C)N(CC)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037113294 171311853 /nfs/dbraw/zinc/31/18/53/171311853.db2.gz LKWQWDFCKLLJGW-WDEREUQCSA-N 1 0 212.337 1.776 10 0 BDAERO CC[C@H](C)N(CCOC)c1cc(CO)ccn1 ZINC000042589835 171315680 /nfs/dbraw/zinc/31/56/80/171315680.db2.gz QHLROCLITALLMI-NSHDSACASA-N 1 0 238.331 1.825 10 0 BDAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])c1ccncc1 ZINC000076618173 171327356 /nfs/dbraw/zinc/32/73/56/171327356.db2.gz YTQUUCIOOKKQCA-CMPLNLGQSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](C)N1CCCC[C@@H]1C[NH3+] ZINC000044559221 171333156 /nfs/dbraw/zinc/33/31/56/171333156.db2.gz SWVAHZPXYSHSRP-SDDRHHMPSA-N 1 0 241.379 1.103 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1ccncc1 ZINC000076618065 171335589 /nfs/dbraw/zinc/33/55/89/171335589.db2.gz XMEXJDWSUBVFQO-CMPLNLGQSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CCc2ccccc2C1 ZINC000038065129 171347279 /nfs/dbraw/zinc/34/72/79/171347279.db2.gz XMVPVRVUTZEYIJ-NHYWBVRUSA-N 1 0 246.354 1.788 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000129443628 171366436 /nfs/dbraw/zinc/36/64/36/171366436.db2.gz IYWCYZKBPGAPJJ-HBNTYKKESA-N 1 0 222.336 1.617 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000042555636 171366692 /nfs/dbraw/zinc/36/66/92/171366692.db2.gz ZDGFXNNAYOCQRF-TUAOUCFPSA-N 1 0 242.363 1.258 10 0 BDAERO CC[C@H](C)[C@@H](C[NH3+])N1CCOCC1(C)C ZINC000042461439 171368897 /nfs/dbraw/zinc/36/88/97/171368897.db2.gz TUESHUHMSNFKOQ-WDEREUQCSA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)c1ccccn1 ZINC000040458893 171392870 /nfs/dbraw/zinc/39/28/70/171392870.db2.gz UEEPWRWOKQHIOQ-ONGXEEELSA-N 1 0 221.304 1.418 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(C)no1 ZINC000040457935 171396793 /nfs/dbraw/zinc/39/67/93/171396793.db2.gz FGKXAGXQFZTSOZ-RCOVLWMOSA-N 1 0 211.265 1.295 10 0 BDAERO CC[C@H](C[NH2+]C)n1nnc2ccccc21 ZINC000052576794 171438037 /nfs/dbraw/zinc/43/80/37/171438037.db2.gz XIVBGDMHCWHVPZ-SECBINFHSA-N 1 0 204.277 1.602 10 0 BDAERO COC[C@H](C)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662344614 412114374 /nfs/dbraw/zinc/11/43/74/412114374.db2.gz HYSUHXUERJYJLJ-VIFPVBQESA-N 1 0 234.299 1.055 10 0 BDAERO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000037005201 171481274 /nfs/dbraw/zinc/48/12/74/171481274.db2.gz CXLTYYKCSMVNMC-KWQFWETISA-N 1 0 222.288 1.307 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1nc2ccccc2o1 ZINC000038212755 171488046 /nfs/dbraw/zinc/48/80/46/171488046.db2.gz MZEKOAKWBBNMBO-OIBJUYFYSA-N 1 0 206.245 1.599 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000662515815 412201695 /nfs/dbraw/zinc/20/16/95/412201695.db2.gz XYIDBBNAXLPKPZ-IUCAKERBSA-N 1 0 225.292 1.158 10 0 BDAERO COc1cccc(C(=O)NCC[C@@H](C)[NH3+])c1C ZINC000662407817 412152950 /nfs/dbraw/zinc/15/29/50/412152950.db2.gz IHRBDPRTIPSAMO-SECBINFHSA-N 1 0 236.315 1.471 10 0 BDAERO CC[C@H]([NH2+][C@H](C)CCc1ccccc1)C(N)=O ZINC000061677160 171543678 /nfs/dbraw/zinc/54/36/78/171543678.db2.gz XYZNSLZTMVZSPJ-YPMHNXCESA-N 1 0 234.343 1.861 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](CCF)C1 ZINC000662686872 412270684 /nfs/dbraw/zinc/27/06/84/412270684.db2.gz BJCBYZHKHLDBTA-GRYCIOLGSA-N 1 0 242.338 1.440 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCCC3(CC3)C2)C[C@@H]1[NH3+] ZINC000662571936 412225196 /nfs/dbraw/zinc/22/51/96/412225196.db2.gz TXELHMYPJNIMJA-WOPDTQHZSA-N 1 0 236.359 1.762 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000662606021 412237344 /nfs/dbraw/zinc/23/73/44/412237344.db2.gz OQJIGGPLENJCAY-IJLUTSLNSA-N 1 0 247.342 1.157 10 0 BDAERO CC[C@H]1CN(Cc2ccc(O)cc2)[C@H](C)C[NH2+]1 ZINC000083361343 171662180 /nfs/dbraw/zinc/66/21/80/171662180.db2.gz LNKLJXSQUFCKRJ-YPMHNXCESA-N 1 0 234.343 1.965 10 0 BDAERO CCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)[NH2+]C ZINC000662862321 412328652 /nfs/dbraw/zinc/32/86/52/412328652.db2.gz KNCRFHBVRSSZBH-GFCCVEGCSA-N 1 0 234.343 1.951 10 0 BDAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662889184 412335694 /nfs/dbraw/zinc/33/56/94/412335694.db2.gz JNGLZVPGJYGKCA-WISYIIOYSA-N 1 0 242.338 1.724 10 0 BDAERO CC(F)(F)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662897365 412338783 /nfs/dbraw/zinc/33/87/83/412338783.db2.gz FEEULFYDKDOFMP-SFYZADRCSA-N 1 0 220.263 1.275 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(F)F ZINC000662898818 412340299 /nfs/dbraw/zinc/34/02/99/412340299.db2.gz RIPYSSSLDJFNNE-ZETCQYMHSA-N 1 0 208.252 1.131 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000119410135 171699230 /nfs/dbraw/zinc/69/92/30/171699230.db2.gz ZLLNEGXAQIOTTE-QWRGUYRKSA-N 1 0 201.310 1.258 10 0 BDAERO CC(NC(=O)[C@H]1CC[NH2+]C1)(C1CC1)C1CC1 ZINC000662915810 412344740 /nfs/dbraw/zinc/34/47/40/412344740.db2.gz PDVGINNVOMTNSX-VIFPVBQESA-N 1 0 222.332 1.291 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC1(CC(C)C)CC1 ZINC000662927027 412347741 /nfs/dbraw/zinc/34/77/41/412347741.db2.gz YXLNKVDILQPPDK-SNVBAGLBSA-N 1 0 212.337 1.809 10 0 BDAERO CCCOc1nccnc1N[C@H](C)C[NH3+] ZINC000630514721 412359917 /nfs/dbraw/zinc/35/99/17/412359917.db2.gz WRQKYUVVWNZXQA-MRVPVSSYSA-N 1 0 210.281 1.025 10 0 BDAERO CN(C(=O)CC1CCC1)[C@H](C[NH3+])C(F)(F)F ZINC000662978576 412361591 /nfs/dbraw/zinc/36/15/91/412361591.db2.gz GYRSVJGHEVASMB-MRVPVSSYSA-N 1 0 238.253 1.525 10 0 BDAERO C[C@@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)C1CC1 ZINC000662985418 412363351 /nfs/dbraw/zinc/36/33/51/412363351.db2.gz XOWDSBDWTICXCJ-HTRCEHHLSA-N 1 0 238.253 1.381 10 0 BDAERO CCc1c(C)nn(-c2cccc(C[NH3+])n2)c1C ZINC000051494144 171741707 /nfs/dbraw/zinc/74/17/07/171741707.db2.gz VWDUZNFTSYYINA-UHFFFAOYSA-N 1 0 230.315 1.905 10 0 BDAERO C[C@H]([NH3+])[C@H]1CN(c2nc3ccccc3o2)CCO1 ZINC000132960035 412376778 /nfs/dbraw/zinc/37/67/78/412376778.db2.gz MRBVCGZVALDFHS-JOYOIKCWSA-N 1 0 247.298 1.380 10 0 BDAERO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000132988077 412384171 /nfs/dbraw/zinc/38/41/71/412384171.db2.gz DPZJHUKBLBWXDL-ONGXEEELSA-N 1 0 210.321 1.148 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)C1CC1 ZINC000132988508 412384733 /nfs/dbraw/zinc/38/47/33/412384733.db2.gz OSNGWIXSURWLGU-MWLCHTKSSA-N 1 0 212.337 1.522 10 0 BDAERO CCc1cc(OC)c(C(=O)CC[NH3+])cc1OC ZINC000096889491 171771900 /nfs/dbraw/zinc/77/19/00/171771900.db2.gz MNSKGSHTOXSZNI-UHFFFAOYSA-N 1 0 237.299 1.798 10 0 BDAERO CCCc1nccnc1N1CCC([C@H](C)[NH3+])CC1 ZINC000663270284 412403342 /nfs/dbraw/zinc/40/33/42/412403342.db2.gz JYSJFACZQJCTNK-NSHDSACASA-N 1 0 248.374 1.993 10 0 BDAERO CC(C)Oc1cncc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663275794 412405498 /nfs/dbraw/zinc/40/54/98/412405498.db2.gz PRHASFLGMBAVAZ-UHFFFAOYSA-N 1 0 248.330 1.428 10 0 BDAERO CCCc1nccnc1N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000663274837 412405509 /nfs/dbraw/zinc/40/55/09/412405509.db2.gz PYTSCNWBFAUISC-NWDGAFQWSA-N 1 0 248.374 1.850 10 0 BDAERO COc1cc(NCC[C@@H]([NH3+])C(C)C)ncn1 ZINC000663276093 412405541 /nfs/dbraw/zinc/40/55/41/412405541.db2.gz KMRPDWUAONLMSL-SECBINFHSA-N 1 0 224.308 1.271 10 0 BDAERO CC(C)Oc1cc(NCC23CC(C2)C[NH2+]3)ncn1 ZINC000663276014 412405791 /nfs/dbraw/zinc/40/57/91/412405791.db2.gz USJCTQOJHFKUNC-UHFFFAOYSA-N 1 0 248.330 1.428 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1cc(OC(C)C)ncn1 ZINC000663277344 412406577 /nfs/dbraw/zinc/40/65/77/412406577.db2.gz MTECFLXDSBUKMJ-SECBINFHSA-N 1 0 224.308 1.284 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ncnc2ccccc21 ZINC000663278844 412407241 /nfs/dbraw/zinc/40/72/41/412407241.db2.gz MOQOFOGWNYUYGE-VIFPVBQESA-N 1 0 216.288 1.650 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nc2ccccc2n1C ZINC000663278606 412407703 /nfs/dbraw/zinc/40/77/03/412407703.db2.gz KSDSRNJAWPFDGX-VIFPVBQESA-N 1 0 218.304 1.593 10 0 BDAERO C[C@H](C[NH2+][C@@H]1CCNC1=O)C1CCCCC1 ZINC000663309105 412414121 /nfs/dbraw/zinc/41/41/21/412414121.db2.gz SATCVJZYEGIPFS-ZYHUDNBSSA-N 1 0 224.348 1.681 10 0 BDAERO CCc1ccc(OC)c(C[C@H](O)C[NH2+]C)c1 ZINC000041242799 171825382 /nfs/dbraw/zinc/82/53/82/171825382.db2.gz STSXRQABQBRHIK-LBPRGKRZSA-N 1 0 223.316 1.380 10 0 BDAERO CCc1ccc([C@@H]([NH3+])[C@@H]2COCCO2)o1 ZINC000055301446 171834269 /nfs/dbraw/zinc/83/42/69/171834269.db2.gz VVXBIBZNTCPOJN-WDEREUQCSA-N 1 0 211.261 1.257 10 0 BDAERO CCc1ccccc1OCCNC(=O)[C@H](C)[NH3+] ZINC000041271054 171890777 /nfs/dbraw/zinc/89/07/77/171890777.db2.gz UYRLHNNVUCQSBF-JTQLQIEISA-N 1 0 236.315 1.091 10 0 BDAERO CCc1nc(CC[NH2+]Cc2ccco2)no1 ZINC000299649687 171971240 /nfs/dbraw/zinc/97/12/40/171971240.db2.gz XVNHBAHBSVORPA-UHFFFAOYSA-N 1 0 221.260 1.557 10 0 BDAERO CCc1nc([C@@]2(N)CCc3ccccc32)no1 ZINC000036762573 172004408 /nfs/dbraw/zinc/00/44/08/172004408.db2.gz IZOCOUQZNCREJV-CYBMUJFWSA-N 1 0 229.283 1.781 10 0 BDAERO CCc1nccn1Cc1cccc(C[NH3+])c1 ZINC000042419609 172028429 /nfs/dbraw/zinc/02/84/29/172028429.db2.gz CYNBMWPNCMGDJM-UHFFFAOYSA-N 1 0 215.300 1.953 10 0 BDAERO CCc1nnc(CN2CC[C@H](CC)C2)n1C ZINC000125567719 172049739 /nfs/dbraw/zinc/04/97/39/172049739.db2.gz SSBOEQHIRSVJID-JTQLQIEISA-N 1 0 222.336 1.609 10 0 BDAERO CCc1nnc(N[C@@H]2CCC[C@@H]2C[NH3+])nc1CC ZINC000097837998 172060076 /nfs/dbraw/zinc/06/00/76/172060076.db2.gz RUAURBJAZGXNBG-BXKDBHETSA-N 1 0 249.362 1.536 10 0 BDAERO CCn1cc(Cl)cc1C(=O)NC1CC([NH3+])C1 ZINC000036856573 172177297 /nfs/dbraw/zinc/17/72/97/172177297.db2.gz QKJIBNCHLUULKX-UHFFFAOYSA-N 1 0 241.722 1.381 10 0 BDAERO CCn1cc(Cn2ccnc2C[C@@H](C)[NH3+])cn1 ZINC000062802897 172178399 /nfs/dbraw/zinc/17/83/99/172178399.db2.gz SJADIYXNNDHYLA-SNVBAGLBSA-N 1 0 233.319 1.038 10 0 BDAERO CCn1cc(Cn2nc(C)c(C[NH3+])c2C)cn1 ZINC000050541318 172178580 /nfs/dbraw/zinc/17/85/80/172178580.db2.gz XPPDNOXACJFMOM-UHFFFAOYSA-N 1 0 233.319 1.223 10 0 BDAERO CCn1cc(NC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000054240699 172185932 /nfs/dbraw/zinc/18/59/32/172185932.db2.gz MDQDWPMWBGGQQR-NSHDSACASA-N 1 0 222.336 1.657 10 0 BDAERO CCn1cccc1C[NH2+]CCCn1cccn1 ZINC000126322328 172207338 /nfs/dbraw/zinc/20/73/38/172207338.db2.gz IDXIYDMZBLBGMI-UHFFFAOYSA-N 1 0 232.331 1.884 10 0 BDAERO CCn1ccnc1C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000303990234 172220508 /nfs/dbraw/zinc/22/05/08/172220508.db2.gz LCSPOGBAHJFJCQ-RYUDHWBXSA-N 1 0 237.347 1.638 10 0 BDAERO CCn1cnnc1[C@@]1([NH3+])CCC[C@@H](C)C1 ZINC000054497768 172239772 /nfs/dbraw/zinc/23/97/72/172239772.db2.gz NJKUEBYKWQCVOD-MWLCHTKSSA-N 1 0 208.309 1.662 10 0 BDAERO CN(C(=O)C(C)(C)C[NH3+])c1cccc(F)c1 ZINC000050006240 172295639 /nfs/dbraw/zinc/29/56/39/172295639.db2.gz IGWAESALCKNMGR-UHFFFAOYSA-N 1 0 224.279 1.773 10 0 BDAERO CN(C(=O)C1[C@@H]2CCC[C@H]12)C1CC[NH2+]CC1 ZINC000131223594 172300329 /nfs/dbraw/zinc/30/03/29/172300329.db2.gz GWSBDSVDTMXZHT-FOSCPWQOSA-N 1 0 222.332 1.243 10 0 BDAERO CN(C(=O)C1[C@@H]2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000131228709 172300436 /nfs/dbraw/zinc/30/04/36/172300436.db2.gz BTFZRZWUGYFHPF-FUNVUKJBSA-N 1 0 236.359 1.633 10 0 BDAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000054305959 172314214 /nfs/dbraw/zinc/31/42/14/172314214.db2.gz RYYBPWIUXFPISA-QWRGUYRKSA-N 1 0 242.388 1.340 10 0 BDAERO CN(C(=O)c1cc[nH]n1)c1ccc(C[NH3+])cc1 ZINC000062775098 172338792 /nfs/dbraw/zinc/33/87/92/172338792.db2.gz OLTFRJXFUQOCDL-UHFFFAOYSA-N 1 0 230.271 1.145 10 0 BDAERO CN(C)C(=O)CC[NH2+][C@H]1CCOc2ccccc21 ZINC000037751681 172360904 /nfs/dbraw/zinc/36/09/04/172360904.db2.gz MOEDIDFANZTRQS-LBPRGKRZSA-N 1 0 248.326 1.578 10 0 BDAERO CN(C)C(=O)COc1ccc(Cl)cc1C[NH3+] ZINC000036894896 172373045 /nfs/dbraw/zinc/37/30/45/172373045.db2.gz IGSAVHUNMOOKLA-UHFFFAOYSA-N 1 0 242.706 1.266 10 0 BDAERO CN(C)C(=O)Oc1cccc2c1CC[C@@H]2[NH3+] ZINC000013492228 172382563 /nfs/dbraw/zinc/38/25/63/172382563.db2.gz JHNADFDOHHLJBW-JTQLQIEISA-N 1 0 220.272 1.693 10 0 BDAERO C[NH+](C)CCNc1n[nH]c2ccccc21 ZINC000033885146 172469788 /nfs/dbraw/zinc/46/97/88/172469788.db2.gz WGACVTNJAJTWFD-UHFFFAOYSA-N 1 0 204.277 1.536 10 0 BDAERO C[NH+](C)C[C@H]1SC(=O)c2cc(O)ccc21 ZINC000033877694 172499511 /nfs/dbraw/zinc/49/95/11/172499511.db2.gz RFUXRRGRONDQGA-SNVBAGLBSA-N 1 0 223.297 1.882 10 0 BDAERO CN(C)[C@H](C[NH3+])CCOc1cccc(Cl)c1 ZINC000019663702 172533209 /nfs/dbraw/zinc/53/32/09/172533209.db2.gz MRNXQTJUXSYPTO-NSHDSACASA-N 1 0 242.750 1.998 10 0 BDAERO CN(C)c1cccc(OCC[C@@](C)(O)C[NH3+])c1 ZINC000019668325 172568456 /nfs/dbraw/zinc/56/84/56/172568456.db2.gz GKIKIIABKYWOMV-CYBMUJFWSA-N 1 0 238.331 1.231 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C(C)C)C1CC1 ZINC000324516190 487625068 /nfs/dbraw/zinc/62/50/68/487625068.db2.gz JMRPNNPZRVRTQK-AAEUAGOBSA-N 1 0 226.364 1.911 10 0 BDAERO CN(CC(=O)c1cccs1)C1CC[NH2+]CC1 ZINC000050158761 172619752 /nfs/dbraw/zinc/61/97/52/172619752.db2.gz NZQLMDUYWYAINN-UHFFFAOYSA-N 1 0 238.356 1.615 10 0 BDAERO CN(CC(=O)c1ccccn1)C[C@@H]1CCCC[NH2+]1 ZINC000095070858 172620213 /nfs/dbraw/zinc/62/02/13/172620213.db2.gz KXAFRXMQXHBYIG-LBPRGKRZSA-N 1 0 247.342 1.338 10 0 BDAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)[C@@H]1CCCO1 ZINC000019843722 172774330 /nfs/dbraw/zinc/77/43/30/172774330.db2.gz AXZAQJOFRXTZOL-RYUDHWBXSA-N 1 0 240.347 1.156 10 0 BDAERO CN(CCc1ccncc1)[C@H](C[NH3+])C(F)(F)F ZINC000048259406 172791725 /nfs/dbraw/zinc/79/17/25/172791725.db2.gz LBXDZKNSNFMTPH-SNVBAGLBSA-N 1 0 247.264 1.446 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]Cc1ccc[nH]1 ZINC000051789656 173009028 /nfs/dbraw/zinc/00/90/28/173009028.db2.gz SYKZENZYGXJSII-LBPRGKRZSA-N 1 0 207.321 1.589 10 0 BDAERO Cn1cc(NC[C@@H]2CCCC[N@@H+]2C)ccc1=O ZINC000054243186 173009030 /nfs/dbraw/zinc/00/90/30/173009030.db2.gz YRGWVFSBRRGJEQ-LBPRGKRZSA-N 1 0 235.331 1.282 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CNc1cccc(C(N)=O)c1 ZINC000054240126 173010095 /nfs/dbraw/zinc/01/00/95/173010095.db2.gz PPEIXUXUOVTLLP-ZDUSSCGKSA-N 1 0 247.342 1.682 10 0 BDAERO C[N@@H+]1CCCN(c2c(F)cc(N)cc2F)CC1 ZINC000038039845 173017945 /nfs/dbraw/zinc/01/79/45/173017945.db2.gz RKVABOZLFMWXBM-UHFFFAOYSA-N 1 0 241.285 1.689 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000076692665 173021086 /nfs/dbraw/zinc/02/10/86/173021086.db2.gz OHNYOFPWXBFRQX-GFCCVEGCSA-N 1 0 248.326 1.964 10 0 BDAERO CN1CCC[C@H]([N@H+](C)CC2(CO)CCCC2)C1 ZINC000053249022 173044587 /nfs/dbraw/zinc/04/45/87/173044587.db2.gz QDEUVUDLGDOYCH-ZDUSSCGKSA-N 1 0 240.391 1.565 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2cc(N)cc(F)c2)C1 ZINC000040715810 173046910 /nfs/dbraw/zinc/04/69/10/173046910.db2.gz FOYKTNVBKYTQKZ-NSHDSACASA-N 1 0 223.295 1.914 10 0 BDAERO CN1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000310105394 173085031 /nfs/dbraw/zinc/08/50/31/173085031.db2.gz ZYOMXNHFWXZSBT-ZDUSSCGKSA-N 1 0 232.327 1.238 10 0 BDAERO C[NH+]1CCN(C[C@H]2CNc3ccccc3O2)CC1 ZINC000020071660 173085906 /nfs/dbraw/zinc/08/59/06/173085906.db2.gz KSLUUCKOPKVDQB-GFCCVEGCSA-N 1 0 247.342 1.107 10 0 BDAERO C[NH+]1CCN(Cc2ccc(N)c(F)c2)CC1 ZINC000063011156 173088645 /nfs/dbraw/zinc/08/86/45/173088645.db2.gz AHAMLBSUQHTYFI-UHFFFAOYSA-N 1 0 223.295 1.155 10 0 BDAERO C[N@@H+]1CC[C@H](c2nc3cccnc3[nH]2)C1 ZINC000049168802 173157853 /nfs/dbraw/zinc/15/78/53/173157853.db2.gz NRJMJPYVJFULOK-QMMMGPOBSA-N 1 0 202.261 1.377 10 0 BDAERO CN(C)C(=O)c1c(N)sc2c1CC[N@H+](C)C2 ZINC000036225009 173170833 /nfs/dbraw/zinc/17/08/33/173170833.db2.gz LFQACOZSOCCDTD-UHFFFAOYSA-N 1 0 239.344 1.020 10 0 BDAERO CN1Cc2cccc(Cl)c2[C@H](C[NH3+])C1 ZINC000057496436 173201594 /nfs/dbraw/zinc/20/15/94/173201594.db2.gz MAGSEYSWBIYISI-SECBINFHSA-N 1 0 210.708 1.828 10 0 BDAERO CN1N=C(CC[NH3+])C[C@@H]1c1cccs1 ZINC000041143916 173203539 /nfs/dbraw/zinc/20/35/39/173203539.db2.gz NQMCSICUFDTXAB-SECBINFHSA-N 1 0 209.318 1.830 10 0 BDAERO CN1c2cccc(F)c2C[C@H]1C1=[NH+]CCN1 ZINC000028090697 173208364 /nfs/dbraw/zinc/20/83/64/173208364.db2.gz LYCSDBYMKCOPNV-NSHDSACASA-N 1 0 219.263 1.188 10 0 BDAERO CNC(=[NH2+])c1ccc(Br)cc1N ZINC000095830850 173211402 /nfs/dbraw/zinc/21/14/02/173211402.db2.gz RZDIHQGNCFOZAU-UHFFFAOYSA-N 1 0 228.093 1.576 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000037207616 173277600 /nfs/dbraw/zinc/27/76/00/173277600.db2.gz PNWCLMYBWLBFMH-ZETCQYMHSA-N 1 0 228.242 1.361 10 0 BDAERO CNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000171864945 173285714 /nfs/dbraw/zinc/28/57/14/173285714.db2.gz TWXUIIZMDFLGOG-UHFFFAOYSA-N 1 0 236.319 1.241 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044386215 173295108 /nfs/dbraw/zinc/29/51/08/173295108.db2.gz LRHRXATXXKQRIN-DTWKUNHWSA-N 1 0 224.304 1.682 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000042560987 173295605 /nfs/dbraw/zinc/29/56/05/173295605.db2.gz ACPDEEIBQVRWMS-GHMZBOCLSA-N 1 0 246.354 1.960 10 0 BDAERO CNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745738 173295914 /nfs/dbraw/zinc/29/59/14/173295914.db2.gz SMATWBMOJQXOAO-JGVFFNPUSA-N 1 0 240.278 1.359 10 0 BDAERO CNC(=O)[C@@H](C)Oc1cccc([C@@H](C)[NH2+]C)c1 ZINC000034821953 173296045 /nfs/dbraw/zinc/29/60/45/173296045.db2.gz OPYGWMVXFBVRTD-NXEZZACHSA-N 1 0 236.315 1.480 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043534343 173302509 /nfs/dbraw/zinc/30/25/09/173302509.db2.gz DIZCIWUBEUYAFZ-RYUDHWBXSA-N 1 0 234.343 1.904 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000037723815 173304405 /nfs/dbraw/zinc/30/44/05/173304405.db2.gz SGKALCLADCWNNO-ZJUUUORDSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@H](C)Oc1cccc(C[C@H](C)[NH3+])c1 ZINC000037726640 173304411 /nfs/dbraw/zinc/30/44/11/173304411.db2.gz GFNAGZXXHQRMSU-UWVGGRQHSA-N 1 0 236.315 1.090 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000061319187 173317676 /nfs/dbraw/zinc/31/76/76/173317676.db2.gz NLLMUNCOAAHFKM-NXEZZACHSA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(F)cc1 ZINC000061300202 173318171 /nfs/dbraw/zinc/31/81/71/173318171.db2.gz MKAZWEBFJKSNEV-UHFFFAOYSA-N 1 0 224.279 1.440 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cccnc1 ZINC000061300440 173318477 /nfs/dbraw/zinc/31/84/77/173318477.db2.gz JEEUBPQUBLGQQD-VIFPVBQESA-N 1 0 221.304 1.257 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C)cc1 ZINC000061300237 173318705 /nfs/dbraw/zinc/31/87/05/173318705.db2.gz JFYQZXWXIYCPBU-UHFFFAOYSA-N 1 0 206.289 1.932 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(F)c1F ZINC000061317899 173319793 /nfs/dbraw/zinc/31/97/93/173319793.db2.gz YRCHIIYVWSABFA-UHFFFAOYSA-N 1 0 228.242 1.901 10 0 BDAERO C[NH2+]C1CCN(C[C@](C)(O)c2ccccc2)CC1 ZINC000052096758 173323001 /nfs/dbraw/zinc/32/30/01/173323001.db2.gz CNSDFBRWRFZVCX-HNNXBMFYSA-N 1 0 248.370 1.578 10 0 BDAERO C[NH2+]C1CCN(Cc2ccc(C)o2)CC1 ZINC000053038393 173323445 /nfs/dbraw/zinc/32/34/45/173323445.db2.gz LJXGXGAHZUJHLW-UHFFFAOYSA-N 1 0 208.305 1.772 10 0 BDAERO C[NH2+]C1CCN([C@@H](C)Cc2ccco2)CC1 ZINC000042590189 173324086 /nfs/dbraw/zinc/32/40/86/173324086.db2.gz JIFSTSIOJBEONV-NSHDSACASA-N 1 0 222.332 1.894 10 0 BDAERO C[NH2+]CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000037809024 173325554 /nfs/dbraw/zinc/32/55/54/173325554.db2.gz NYGSNDXPBGMVEJ-UHFFFAOYSA-N 1 0 232.327 1.705 10 0 BDAERO C[NH2+]CC(=O)NCCCc1c(C)cc(C)cc1C ZINC000077424691 173328549 /nfs/dbraw/zinc/32/85/49/173328549.db2.gz XCACYPWQQFKITI-UHFFFAOYSA-N 1 0 248.370 1.880 10 0 BDAERO C[NH2+]CC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000041635281 173331222 /nfs/dbraw/zinc/33/12/22/173331222.db2.gz RUUFVGBBWKVJNY-AWEZNQCLSA-N 1 0 244.294 1.705 10 0 BDAERO C[NH2+]CC(=O)Nc1cccc(-c2nccs2)c1 ZINC000037767662 173333385 /nfs/dbraw/zinc/33/33/85/173333385.db2.gz JSGLORZCMAFOIJ-UHFFFAOYSA-N 1 0 247.323 1.968 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(OC)c(C)c1 ZINC000049531985 173334345 /nfs/dbraw/zinc/33/43/45/173334345.db2.gz OGUOSFJTETTZSI-UHFFFAOYSA-N 1 0 208.261 1.162 10 0 BDAERO C[NH2+]CC1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000063159564 173338646 /nfs/dbraw/zinc/33/86/46/173338646.db2.gz TTWHZJPITVZGLU-UHFFFAOYSA-N 1 0 248.326 1.464 10 0 BDAERO C[NH2+]CCCC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819591 173343976 /nfs/dbraw/zinc/34/39/76/173343976.db2.gz NLBHYTLIMIPFFP-LBPRGKRZSA-N 1 0 235.331 1.678 10 0 BDAERO C[NH2+]CCC[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000076857976 173349733 /nfs/dbraw/zinc/34/97/33/173349733.db2.gz KGWYLKMGDNVKQU-LLVKDONJSA-N 1 0 239.315 1.737 10 0 BDAERO C[NH2+]CCN(C)Cc1cc(C)c(C)cc1OC ZINC000077373183 173353143 /nfs/dbraw/zinc/35/31/43/173353143.db2.gz BKXJDWCSOVOWDZ-UHFFFAOYSA-N 1 0 236.359 1.963 10 0 BDAERO C[NH2+]CCOCCc1cc(F)ccc1F ZINC000077306947 173356939 /nfs/dbraw/zinc/35/69/39/173356939.db2.gz VICGMOCIXXKFQW-UHFFFAOYSA-N 1 0 215.243 1.743 10 0 BDAERO C[NH2+]CC[C@@H](C)N1CCOC(C)(C)C1 ZINC000052481800 173357837 /nfs/dbraw/zinc/35/78/37/173357837.db2.gz BWAGYKSMCPTGPP-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO C[NH2+]CCS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000058827196 173357936 /nfs/dbraw/zinc/35/79/36/173357936.db2.gz YFMCEAIYDPSJOT-UHFFFAOYSA-N 1 0 247.747 1.474 10 0 BDAERO C[NH2+]CC[C@H]1CN(CCc2ccccc2)C(=O)O1 ZINC000077422831 173359091 /nfs/dbraw/zinc/35/90/91/173359091.db2.gz NJEIYIMVDBOIRF-ZDUSSCGKSA-N 1 0 248.326 1.659 10 0 BDAERO C[NH2+]CCc1c(C)nc(N2CCCC2)nc1C ZINC000054838091 173359543 /nfs/dbraw/zinc/35/95/43/173359543.db2.gz BFIQICPWCYMALR-UHFFFAOYSA-N 1 0 234.347 1.456 10 0 BDAERO C[NH2+]CCc1nnc(COc2ccccc2)o1 ZINC000050619571 173361821 /nfs/dbraw/zinc/36/18/21/173361821.db2.gz CIGOOAPGSHBVMO-UHFFFAOYSA-N 1 0 233.271 1.411 10 0 BDAERO C[NH2+]CCn1cc(-c2ccccc2)nn1 ZINC000169726390 173362023 /nfs/dbraw/zinc/36/20/23/173362023.db2.gz OPPMKASTNQNDIZ-UHFFFAOYSA-N 1 0 202.261 1.165 10 0 BDAERO C[NH2+]CCc1nnc(-c2ccc(C)cc2)o1 ZINC000050619461 173362080 /nfs/dbraw/zinc/36/20/80/173362080.db2.gz QOSVJMXUKACQDT-UHFFFAOYSA-N 1 0 217.272 1.807 10 0 BDAERO C[NH2+]CCc1nnc(-c2ccc(C)nc2)o1 ZINC000050619482 173362113 /nfs/dbraw/zinc/36/21/13/173362113.db2.gz UVPYDWHWXBVJPT-UHFFFAOYSA-N 1 0 218.260 1.202 10 0 BDAERO C[NH2+]CCc1noc(C[C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000051850619 173362180 /nfs/dbraw/zinc/36/21/80/173362180.db2.gz BBFNIYOQBQRGGM-HBNTYKKESA-N 1 0 235.331 1.810 10 0 BDAERO C[NH2+]C[C@@H](C)COc1c(OC)cccc1OC ZINC000041282088 173363960 /nfs/dbraw/zinc/36/39/60/173363960.db2.gz APVJTPVGZDLUJV-SNVBAGLBSA-N 1 0 239.315 1.938 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(C)c(OC)cc1C ZINC000041218669 173365519 /nfs/dbraw/zinc/36/55/19/173365519.db2.gz UZJCQXBUIKWNBA-LLVKDONJSA-N 1 0 209.289 1.565 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1ccc(OC)cc1C ZINC000019686927 173365905 /nfs/dbraw/zinc/36/59/05/173365905.db2.gz WOOVHQUISWPHMW-SNVBAGLBSA-N 1 0 241.356 1.676 10 0 BDAERO C[NH2+]C[C@@H](O[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000104115846 173367273 /nfs/dbraw/zinc/36/72/73/173367273.db2.gz UPZRLGYQUFQEFQ-CHWSQXEVSA-N 1 0 239.290 1.892 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2nc(C)cs2)C1 ZINC000070800306 173370635 /nfs/dbraw/zinc/37/06/35/173370635.db2.gz PJVJFLBAVUQGQS-VIFPVBQESA-N 1 0 211.334 1.497 10 0 BDAERO C[NH2+]C[C@@H]1CC[C@H](Cn2nc(C)cc2C)O1 ZINC000052575911 173371396 /nfs/dbraw/zinc/37/13/96/173371396.db2.gz ZOYDLYINZWJCTM-NWDGAFQWSA-N 1 0 223.320 1.267 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1 ZINC000077386742 173371647 /nfs/dbraw/zinc/37/16/47/173371647.db2.gz YNQNZUNQTJBDMU-SNVBAGLBSA-N 1 0 240.690 1.885 10 0 BDAERO C[NH2+]C[C@@](C)(O)Cc1cc(OC)ccc1OC ZINC000019684567 173372579 /nfs/dbraw/zinc/37/25/79/173372579.db2.gz IWMBXKNNOWBRSO-ZDUSSCGKSA-N 1 0 239.315 1.217 10 0 BDAERO C[NH2+]C[C@H](C)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000246510207 173374178 /nfs/dbraw/zinc/37/41/78/173374178.db2.gz QKIGCODYNCMBAM-SRVKXCTJSA-N 1 0 224.348 1.491 10 0 BDAERO C[NH2+]C[C@H](C)O[C@H](C)C(=O)NC1CCCCC1 ZINC000051842245 173376039 /nfs/dbraw/zinc/37/60/39/173376039.db2.gz RIPNUOILMUOMLR-WDEREUQCSA-N 1 0 242.363 1.448 10 0 BDAERO C[NH2+]C[C@H](O)Cc1cc(Cl)ccc1OC ZINC000041251937 173376467 /nfs/dbraw/zinc/37/64/67/173376467.db2.gz PYTHADAWVGFEOG-SNVBAGLBSA-N 1 0 229.707 1.471 10 0 BDAERO C[NH2+]C[C@H](O)CSc1ccc(F)cc1 ZINC000019686869 173376601 /nfs/dbraw/zinc/37/66/01/173376601.db2.gz IWRJDSUQUXWYQL-VIFPVBQESA-N 1 0 215.293 1.498 10 0 BDAERO C[NH2+]C[C@H](O)COc1cc(C)c(Cl)c(C)c1 ZINC000032101473 173376607 /nfs/dbraw/zinc/37/66/07/173376607.db2.gz UGBGKYKUVSAFRC-JTQLQIEISA-N 1 0 243.734 1.916 10 0 BDAERO C[NH2+]C[C@H](O)CSc1cccc(OC)c1 ZINC000019865166 173376696 /nfs/dbraw/zinc/37/66/96/173376696.db2.gz YYLTWJFQGIMXCL-VIFPVBQESA-N 1 0 227.329 1.368 10 0 BDAERO C[NH2+]C[C@H](O)CSc1ccccc1F ZINC000019865141 173376774 /nfs/dbraw/zinc/37/67/74/173376774.db2.gz XKTRVATUYVRZKT-QMMMGPOBSA-N 1 0 215.293 1.498 10 0 BDAERO C[NH2+]C[C@H](O)c1cc(Br)ccc1F ZINC000055027253 173376831 /nfs/dbraw/zinc/37/68/31/173376831.db2.gz UASCJMDUEKQHKR-VIFPVBQESA-N 1 0 248.095 1.841 10 0 BDAERO C[NH2+]C[C@H](O)CO[C@H](C)c1ccccc1 ZINC000019865003 173376878 /nfs/dbraw/zinc/37/68/78/173376878.db2.gz WEAUMABBTUGJAO-PWSUYJOCSA-N 1 0 209.289 1.345 10 0 BDAERO C[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000032012235 173377170 /nfs/dbraw/zinc/37/71/70/173377170.db2.gz ZYARSXVTYUNEAB-LBPRGKRZSA-N 1 0 209.289 1.727 10 0 BDAERO C[NH2+]C[C@H]1CCCN(Cc2ccco2)C1 ZINC000040591966 173379284 /nfs/dbraw/zinc/37/92/84/173379284.db2.gz LEAGBAXXJDCKLK-LLVKDONJSA-N 1 0 208.305 1.711 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1nncc2ccccc21 ZINC000053703740 173380607 /nfs/dbraw/zinc/38/06/07/173380607.db2.gz JVEFJKJNDJQLLL-GFCCVEGCSA-N 1 0 242.326 1.818 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2cccc(F)c2)C1 ZINC000011892371 173381618 /nfs/dbraw/zinc/38/16/18/173381618.db2.gz YQPIITXCFFOMQU-SNVBAGLBSA-N 1 0 208.280 1.871 10 0 BDAERO C[NH2+]C[C@H]1CN(c2cccc(Cl)c2)C(=O)O1 ZINC000077386745 173382701 /nfs/dbraw/zinc/38/27/01/173382701.db2.gz YNQNZUNQTJBDMU-JTQLQIEISA-N 1 0 240.690 1.885 10 0 BDAERO C[NH2+]C[C@H]1CN(C2CCCCCC2)CCO1 ZINC000071532961 173382714 /nfs/dbraw/zinc/38/27/14/173382714.db2.gz QYXILABFVYLXDL-ZDUSSCGKSA-N 1 0 226.364 1.629 10 0 BDAERO C[NH2+]C[C@](C)(O)Cc1ccccc1OC ZINC000019684504 173383209 /nfs/dbraw/zinc/38/32/09/173383209.db2.gz LNZFFOQIUZLGLM-GFCCVEGCSA-N 1 0 209.289 1.208 10 0 BDAERO C[NH2+]C[C@]1(Cc2ccsc2)CCOC1 ZINC000054663874 173384174 /nfs/dbraw/zinc/38/41/74/173384174.db2.gz KPZQSXMZVJAJPJ-LLVKDONJSA-N 1 0 211.330 1.917 10 0 BDAERO C[NH2+]Cc1cc(F)ccc1-n1cncn1 ZINC000037236833 173386507 /nfs/dbraw/zinc/38/65/07/173386507.db2.gz OJEBWSYOXVOJHS-UHFFFAOYSA-N 1 0 206.224 1.126 10 0 BDAERO C[NH2+]Cc1cc(N(C)C[C@@H]2CCCOC2)ccn1 ZINC000104192673 173386825 /nfs/dbraw/zinc/38/68/25/173386825.db2.gz GREQFQVDASULOU-LBPRGKRZSA-N 1 0 249.358 1.664 10 0 BDAERO C[NH2+]Cc1cc(N2CCCOCC2)ccn1 ZINC000061935370 173387153 /nfs/dbraw/zinc/38/71/53/173387153.db2.gz UCXKTPUZBOWABF-UHFFFAOYSA-N 1 0 221.304 1.028 10 0 BDAERO C[NH2+]Cc1ccc(OCCn2ccnc2C)cc1 ZINC000049329392 173388596 /nfs/dbraw/zinc/38/85/96/173388596.db2.gz YDVPEVIIUFILBN-UHFFFAOYSA-N 1 0 245.326 1.990 10 0 BDAERO C[NH2+]Cc1ccc(N2CCC[C@H]2C)nc1 ZINC000051398866 173389021 /nfs/dbraw/zinc/38/90/21/173389021.db2.gz XUMCYDLVONZVQH-SNVBAGLBSA-N 1 0 205.305 1.790 10 0 BDAERO C[NH2+]Cc1cccc(N2CC[C@@H](C)C2)n1 ZINC000051448252 173389590 /nfs/dbraw/zinc/38/95/90/173389590.db2.gz BYKKIZQXDKQEEF-SNVBAGLBSA-N 1 0 205.305 1.647 10 0 BDAERO C[NH2+]Cc1ccncc1Br ZINC000149211394 173391181 /nfs/dbraw/zinc/39/11/81/173391181.db2.gz PYAADMZRKSTOBB-UHFFFAOYSA-N 1 0 201.067 1.564 10 0 BDAERO C[NH2+]Cc1cn(C)c2c1cccc2OC ZINC000082593125 173391193 /nfs/dbraw/zinc/39/11/93/173391193.db2.gz GNBWWYDRRKATER-UHFFFAOYSA-N 1 0 204.273 1.906 10 0 BDAERO C[NH2+]Cc1ccnc(N(C)Cc2ccccn2)c1 ZINC000051445319 173391331 /nfs/dbraw/zinc/39/13/31/173391331.db2.gz QBEYAISRXZFYID-UHFFFAOYSA-N 1 0 242.326 1.832 10 0 BDAERO C[NH2+]Cc1ccnc(Oc2cccnc2)c1 ZINC000051544381 173391407 /nfs/dbraw/zinc/39/14/07/173391407.db2.gz DUNVPGSQELOQIY-UHFFFAOYSA-N 1 0 215.256 1.988 10 0 BDAERO C[NH2+]Cc1cnc(N2CCC(OC)CC2)s1 ZINC000054903162 173392180 /nfs/dbraw/zinc/39/21/80/173392180.db2.gz DXVYOWOMJJYCKP-UHFFFAOYSA-N 1 0 241.360 1.478 10 0 BDAERO C[NH2+]Cc1cnn([C@@H]2CCCCC[C@@H]2O)c1 ZINC000054600463 173393865 /nfs/dbraw/zinc/39/38/65/173393865.db2.gz QZZVZZVVJMMBLH-NEPJUHHUSA-N 1 0 223.320 1.469 10 0 BDAERO C[NH2+]Cc1csc(CN2CCCCC2)n1 ZINC000045206613 173393925 /nfs/dbraw/zinc/39/39/25/173393925.db2.gz JERLOKGGKCDZBP-UHFFFAOYSA-N 1 0 225.361 1.848 10 0 BDAERO C[NH2+]Cc1nnc(-c2cc(F)cc(F)c2)o1 ZINC000050615336 173397566 /nfs/dbraw/zinc/39/75/66/173397566.db2.gz ZAXBGTUTQXOPBZ-UHFFFAOYSA-N 1 0 225.198 1.734 10 0 BDAERO C[NH2+]Cc1nc2cccnc2n1C1CC1 ZINC000082531784 173397847 /nfs/dbraw/zinc/39/78/47/173397847.db2.gz ITTVCONFLQQCOS-UHFFFAOYSA-N 1 0 202.261 1.486 10 0 BDAERO C[NH2+]Cc1nccn1Cc1cccc(F)c1F ZINC000051004445 173398118 /nfs/dbraw/zinc/39/81/18/173398118.db2.gz FAMQRBUFDXEKJO-UHFFFAOYSA-N 1 0 237.253 1.929 10 0 BDAERO C[NH2+]Cc1nnnn1C[C@H]1CCCC[C@H]1C ZINC000054746986 173398176 /nfs/dbraw/zinc/39/81/76/173398176.db2.gz VQQNYCCSUSICSA-NXEZZACHSA-N 1 0 223.324 1.219 10 0 BDAERO C[NH2+]Cc1nnnn1C[C@@H]1CCCC[C@@H]1C ZINC000054746990 173398776 /nfs/dbraw/zinc/39/87/76/173398776.db2.gz VQQNYCCSUSICSA-UWVGGRQHSA-N 1 0 223.324 1.219 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc(Cl)c(F)c1 ZINC000054762548 173399127 /nfs/dbraw/zinc/39/91/27/173399127.db2.gz RFVBSGVOPHARAD-UHFFFAOYSA-N 1 0 241.657 1.174 10 0 BDAERO C[NH2+][C@@H]1CCCN(C(=O)COC(C)(C)C)C1 ZINC000096394970 173432266 /nfs/dbraw/zinc/43/22/66/173432266.db2.gz XZORYOUMGLGUEA-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO C[NH2+][C@@H]1CCN(c2cccc(F)c2C)C1 ZINC000043321298 173437650 /nfs/dbraw/zinc/43/76/50/173437650.db2.gz UIPDBLSNDIJCEM-SNVBAGLBSA-N 1 0 208.280 1.932 10 0 BDAERO C[NH2+][C@@H]1CCN(c2ccc(F)cc2C)C1 ZINC000037241423 173437854 /nfs/dbraw/zinc/43/78/54/173437854.db2.gz BBCJNSITFYHNJW-LLVKDONJSA-N 1 0 208.280 1.932 10 0 BDAERO COC(=O)C12CCC([NH+](C)C)(CC1)CC2 ZINC000085221194 173517074 /nfs/dbraw/zinc/51/70/74/173517074.db2.gz FOPKUFRPRQQWAH-UHFFFAOYSA-N 1 0 211.305 1.814 10 0 BDAERO COC(=O)CSCC[C@H]1CCCC[NH2+]1 ZINC000043499605 173616201 /nfs/dbraw/zinc/61/62/01/173616201.db2.gz BIRJRBSELQYZNB-SECBINFHSA-N 1 0 217.334 1.425 10 0 BDAERO COC(=O)[C@H]1CCCN1CCC[NH+]1CCCC1 ZINC000050048601 173812444 /nfs/dbraw/zinc/81/24/44/173812444.db2.gz ORNOVROOXAXFPZ-GFCCVEGCSA-N 1 0 240.347 1.110 10 0 BDAERO COC1(CC[NH2+][C@H]2CCC(=O)N[C@@H]2C)CCC1 ZINC000339154704 173991024 /nfs/dbraw/zinc/99/10/24/173991024.db2.gz BVEXXVPNHBBBQP-MNOVXSKESA-N 1 0 240.347 1.202 10 0 BDAERO COC1(OC)C[C@H]2C[N@H+](C)C[C@@]21c1ccccc1 ZINC000027716425 174010542 /nfs/dbraw/zinc/01/05/42/174010542.db2.gz JRMSLSLIBPCNIP-UONOGXRCSA-N 1 0 247.338 1.879 10 0 BDAERO COC1CC([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000308541155 174018435 /nfs/dbraw/zinc/01/84/35/174018435.db2.gz MSNVHJHQIIRARH-RTBKNWGFSA-N 1 0 201.310 1.160 10 0 BDAERO COC1CC([NH2+]C[C@H]2CC23CCOCC3)C1 ZINC000336751933 174019149 /nfs/dbraw/zinc/01/91/49/174019149.db2.gz DBJQRHRRDWPHJO-VOMCLLRMSA-N 1 0 225.332 1.570 10 0 BDAERO COC1CC([NH2+][C@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000336773445 174020559 /nfs/dbraw/zinc/02/05/59/174020559.db2.gz WDFCKEDWUJVRGS-WTIISPKJSA-N 1 0 226.364 1.482 10 0 BDAERO COC1CCN(C[C@@H]([NH3+])C(C)C)CC1 ZINC000037266508 174028844 /nfs/dbraw/zinc/02/88/44/174028844.db2.gz VQJDCTWNZFKSTP-LLVKDONJSA-N 1 0 200.326 1.081 10 0 BDAERO COCCCN(C)C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000062034986 174214684 /nfs/dbraw/zinc/21/46/84/174214684.db2.gz ATOCXHKLZHKAIK-RYUDHWBXSA-N 1 0 242.363 1.246 10 0 BDAERO COCCCN(C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000062029456 174219837 /nfs/dbraw/zinc/21/98/37/174219837.db2.gz AYNSQOMAZKLVNC-CYBMUJFWSA-N 1 0 240.322 1.794 10 0 BDAERO COCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1C(C)C ZINC000083370845 174234680 /nfs/dbraw/zinc/23/46/80/174234680.db2.gz VFCCLSQSLVLBHK-ZIAGYGMSSA-N 1 0 242.407 1.977 10 0 BDAERO COCCCNC(=O)C[NH2+][C@@H](C)CCC(C)C ZINC000070185326 174238732 /nfs/dbraw/zinc/23/87/32/174238732.db2.gz MMKBPHOPJFIPLF-LBPRGKRZSA-N 1 0 244.379 1.553 10 0 BDAERO COCCCNC(=O)[C@@H](C)[NH2+]CCCC(C)C ZINC000037984528 174243881 /nfs/dbraw/zinc/24/38/81/174243881.db2.gz PKJBXYIVTPUFPF-GFCCVEGCSA-N 1 0 244.379 1.553 10 0 BDAERO COCCC[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000034974465 174248181 /nfs/dbraw/zinc/24/81/81/174248181.db2.gz PCRQFHWVZIRZAB-UHFFFAOYSA-N 1 0 240.278 1.051 10 0 BDAERO COCCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128874342 174251039 /nfs/dbraw/zinc/25/10/39/174251039.db2.gz WCPVYAYDQPIUAQ-QWHCGFSZSA-N 1 0 237.347 1.993 10 0 BDAERO COCCC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309643433 174264399 /nfs/dbraw/zinc/26/43/99/174264399.db2.gz LJICXLZGLMCKJZ-DCAQKATOSA-N 1 0 228.336 1.058 10 0 BDAERO COCCCn1c(N)[nH+]c2cc(C)ccc21 ZINC000036899688 174266595 /nfs/dbraw/zinc/26/65/95/174266595.db2.gz JXHWJXDKTWFHIF-UHFFFAOYSA-N 1 0 219.288 1.963 10 0 BDAERO COCCN(C(=O)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000037814622 174268783 /nfs/dbraw/zinc/26/87/83/174268783.db2.gz MVZVIRRLFGGATN-ZDUSSCGKSA-N 1 0 248.326 1.324 10 0 BDAERO COCCN(C)[C@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043044600 174283111 /nfs/dbraw/zinc/28/31/11/174283111.db2.gz JGRVLQLZGVULGX-GWCFXTLKSA-N 1 0 240.322 1.792 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1cccc(F)c1F ZINC000104249071 174283569 /nfs/dbraw/zinc/28/35/69/174283569.db2.gz ZJHIKTDZCCXAJJ-LLVKDONJSA-N 1 0 244.285 1.543 10 0 BDAERO COCCN([C@@H](C[NH3+])c1ccc(C)o1)C1CC1 ZINC000042517928 174284481 /nfs/dbraw/zinc/28/44/81/174284481.db2.gz HXNSQANBHDLVRJ-LBPRGKRZSA-N 1 0 238.331 1.699 10 0 BDAERO COCCN(CC[NH3+])Cc1ccccc1C ZINC000032014357 174291587 /nfs/dbraw/zinc/29/15/87/174291587.db2.gz BFNOMJBNBGZTAB-UHFFFAOYSA-N 1 0 222.332 1.402 10 0 BDAERO COCCN(CC[NH3+])Cc1cccc(OC)c1 ZINC000032090303 174292505 /nfs/dbraw/zinc/29/25/05/174292505.db2.gz YAUVWTKDKFFMEZ-UHFFFAOYSA-N 1 0 238.331 1.102 10 0 BDAERO COCC[N@H+](Cc1ccc(O)c(N)c1)C1CC1 ZINC000042517313 174299528 /nfs/dbraw/zinc/29/95/28/174299528.db2.gz OHVPQADVFHOADG-UHFFFAOYSA-N 1 0 236.315 1.585 10 0 BDAERO COCCN(c1ccc(N)cn1)[C@@H](C)COC ZINC000042602749 174302182 /nfs/dbraw/zinc/30/21/82/174302182.db2.gz AZWMYURJSPVKGB-JTQLQIEISA-N 1 0 239.319 1.152 10 0 BDAERO COCCNC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042860865 174321159 /nfs/dbraw/zinc/32/11/59/174321159.db2.gz LRESSOVHTBXYJZ-RYUDHWBXSA-N 1 0 242.363 1.165 10 0 BDAERO COCCNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042860862 174321289 /nfs/dbraw/zinc/32/12/89/174321289.db2.gz LRESSOVHTBXYJZ-NEPJUHHUSA-N 1 0 242.363 1.165 10 0 BDAERO COCC[NH2+]CCCc1cnc(C)s1 ZINC000062337637 174332193 /nfs/dbraw/zinc/33/21/93/174332193.db2.gz KSCFBVZYKUAQQA-UHFFFAOYSA-N 1 0 214.334 1.620 10 0 BDAERO COCC[NH2+]CCCOc1cc(F)cc(F)c1 ZINC000054934935 174332404 /nfs/dbraw/zinc/33/24/04/174332404.db2.gz UBIAHWFWMXFIDT-UHFFFAOYSA-N 1 0 245.269 1.970 10 0 BDAERO COCC[NH2+]C[C@H](C)n1ncc2ccccc21 ZINC000053536668 174334477 /nfs/dbraw/zinc/33/44/77/174334477.db2.gz SRINDPGLTAHPKH-NSHDSACASA-N 1 0 233.315 1.833 10 0 BDAERO COCC[NH2+]C[C@H](O)c1cc(C)ccc1C ZINC000049819404 174334526 /nfs/dbraw/zinc/33/45/26/174334526.db2.gz QLUWNEGABKOFHD-ZDUSSCGKSA-N 1 0 223.316 1.573 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1cccs1 ZINC000032010020 174334899 /nfs/dbraw/zinc/33/48/99/174334899.db2.gz FUWDKZINIWQHOV-MRVPVSSYSA-N 1 0 201.291 1.018 10 0 BDAERO COCC[NH2+]Cc1cc(Cl)c(O)c(OC)c1 ZINC000057901182 174334996 /nfs/dbraw/zinc/33/49/96/174334996.db2.gz JVOOWHWAAZRMFJ-UHFFFAOYSA-N 1 0 245.706 1.790 10 0 BDAERO COCC[NH2+]Cc1ccnc(-c2ccccc2)n1 ZINC000054792573 174336186 /nfs/dbraw/zinc/33/61/86/174336186.db2.gz VYKHZNRADJDAPI-UHFFFAOYSA-N 1 0 243.310 1.880 10 0 BDAERO COCCN[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000053255908 174339086 /nfs/dbraw/zinc/33/90/86/174339086.db2.gz GMSQSINTYIAMDD-CQSZACIVSA-N 1 0 234.343 1.413 10 0 BDAERO COCC[NH2+][C@H]1CCc2c1cccc2O ZINC000036851807 174340492 /nfs/dbraw/zinc/34/04/92/174340492.db2.gz FDYCYIRWYGLVFP-NSHDSACASA-N 1 0 207.273 1.616 10 0 BDAERO COCCOC[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052628336 174361999 /nfs/dbraw/zinc/36/19/99/174361999.db2.gz JLOKCZOBRONSSQ-RYUDHWBXSA-N 1 0 245.363 1.585 10 0 BDAERO COCCOC[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052628337 174362154 /nfs/dbraw/zinc/36/21/54/174362154.db2.gz JLOKCZOBRONSSQ-NEPJUHHUSA-N 1 0 245.363 1.585 10 0 BDAERO COCCc1nc(C[NH2+]C(C)C)cs1 ZINC000042436695 174425213 /nfs/dbraw/zinc/42/52/13/174425213.db2.gz HZFVRSYOWWUBCR-UHFFFAOYSA-N 1 0 214.334 1.830 10 0 BDAERO COCCc1noc([C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000070501802 174427447 /nfs/dbraw/zinc/42/74/47/174427447.db2.gz QKEZSESOSWSODP-BDAKNGLRSA-N 1 0 225.292 1.243 10 0 BDAERO COCc1sc(C[C@H](C)[NH3+])nc1C ZINC000061803233 174653977 /nfs/dbraw/zinc/65/39/77/174653977.db2.gz MRLDJLGYYUXFGX-LURJTMIESA-N 1 0 200.307 1.488 10 0 BDAERO COc1cc(C)cc(OC)c1C[C@@H](C)[NH3+] ZINC000013444163 174966224 /nfs/dbraw/zinc/96/62/24/174966224.db2.gz CFFJUEYUTHKVMQ-SECBINFHSA-N 1 0 209.289 1.902 10 0 in-vivo BDAERO COc1cc(NCCC[NH3+])c(OC)cc1C ZINC000107287832 175001956 /nfs/dbraw/zinc/00/19/56/175001956.db2.gz XARBEZFZEKJMEU-UHFFFAOYSA-N 1 0 224.304 1.773 10 0 BDAERO COc1cc(N[C@@H]2CCC[N@H+](C)C2)ccc1N ZINC000104235608 175004458 /nfs/dbraw/zinc/00/44/58/175004458.db2.gz IZCXDHILCVHIKZ-LLVKDONJSA-N 1 0 235.331 1.784 10 0 BDAERO COc1cc([C@@H]2CC[NH2+]C[C@H]2F)ccn1 ZINC000098091656 175015134 /nfs/dbraw/zinc/01/51/34/175015134.db2.gz OMRPPBFHBGUSSB-VHSXEESVSA-N 1 0 210.252 1.505 10 0 BDAERO COc1cc([C@@H](O)[C@@H](C)[NH3+])cc(OC)c1OC ZINC000020216920 175015440 /nfs/dbraw/zinc/01/54/40/175015440.db2.gz AEZRTWHPXIHEJO-HQJQHLMTSA-N 1 0 241.287 1.093 10 0 BDAERO COc1cc([C@H](N)C[NH3+])c(F)cc1Cl ZINC000044471543 175017037 /nfs/dbraw/zinc/01/70/37/175017037.db2.gz XNCPNVIEFLGZFZ-MRVPVSSYSA-N 1 0 218.659 1.446 10 0 BDAERO COc1cc2c(c(OC)c1OC)[C@H]([NH3+])[C@@H](C)C2 ZINC000041278601 175020579 /nfs/dbraw/zinc/02/05/79/175020579.db2.gz RXRAQVBVOBLXGE-WRWORJQWSA-N 1 0 237.299 1.904 10 0 BDAERO COc1cc2c(cc1C[C@H](C)[NH3+])O[C@@H](C)C2 ZINC000026825762 175021429 /nfs/dbraw/zinc/02/14/29/175021429.db2.gz XBHKBTCXRYPZMX-IUCAKERBSA-N 1 0 221.300 1.908 10 0 BDAERO COc1ccc(C(=[NH2+])NO)cc1Cl ZINC000042411009 175051944 /nfs/dbraw/zinc/05/19/44/175051944.db2.gz TTYGYNFRRIJBLL-UHFFFAOYSA-N 1 0 200.625 1.653 10 0 BDAERO COc1ccc(C(=O)C[NH2+]C2CC2)c(OC)c1C ZINC000107294098 175053840 /nfs/dbraw/zinc/05/38/40/175053840.db2.gz IEIQULDIEYGWEN-UHFFFAOYSA-N 1 0 249.310 1.947 10 0 BDAERO COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038048833 175063171 /nfs/dbraw/zinc/06/31/71/175063171.db2.gz QZRFZQRYELXVSW-STQMWFEESA-N 1 0 248.326 1.695 10 0 BDAERO COc1ccc(C(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000032011730 175065075 /nfs/dbraw/zinc/06/50/75/175065075.db2.gz VVEBLZJOWQLLDK-NSHDSACASA-N 1 0 207.273 1.861 10 0 BDAERO COc1ccc(C)cc1C[C@H]([NH3+])CN(C)C ZINC000071524601 175077031 /nfs/dbraw/zinc/07/70/31/175077031.db2.gz JREYPEHGRDDRAC-LBPRGKRZSA-N 1 0 222.332 1.435 10 0 BDAERO COc1ccc(C)cc1Cn1cnc(CC[NH3+])c1 ZINC000071559881 175077115 /nfs/dbraw/zinc/07/71/15/175077115.db2.gz ZTHZEGOPRZAMFX-UHFFFAOYSA-N 1 0 245.326 1.750 10 0 BDAERO COc1ccc(C)cc1[C@@H](C)NC(=O)C1C[NH2+]C1 ZINC000091406293 175079558 /nfs/dbraw/zinc/07/95/58/175079558.db2.gz CSCJLDAXBOGHSG-SNVBAGLBSA-N 1 0 248.326 1.400 10 0 BDAERO COc1ccc(CC2([NH3+])CC2)cc1OC ZINC000016917567 175088000 /nfs/dbraw/zinc/08/80/00/175088000.db2.gz RTXYSWLYOZKAKE-UHFFFAOYSA-N 1 0 207.273 1.738 10 0 BDAERO COc1ccc(COC(=O)CC[NH3+])cc1 ZINC000040410945 175113732 /nfs/dbraw/zinc/11/37/32/175113732.db2.gz DBSWRQYXAFLHEQ-UHFFFAOYSA-N 1 0 209.245 1.087 10 0 BDAERO COc1ccc(CSCC[NH3+])cc1OC ZINC000019425306 175114197 /nfs/dbraw/zinc/11/41/97/175114197.db2.gz QZFMJQMONHDIDL-UHFFFAOYSA-N 1 0 227.329 1.896 10 0 BDAERO COc1ccc(COC[C@H](C)[NH3+])c(OC)c1 ZINC000098124983 175114712 /nfs/dbraw/zinc/11/47/12/175114712.db2.gz WTOWCPHLELUTEE-VIFPVBQESA-N 1 0 225.288 1.568 10 0 BDAERO COc1ccc(C[C@@H](C[NH3+])N(C)C)cc1OC ZINC000041280499 175115678 /nfs/dbraw/zinc/11/56/78/175115678.db2.gz LECSZLFRDMZZOJ-NSHDSACASA-N 1 0 238.331 1.135 10 0 BDAERO COc1ccc(C[C@H](C)C[NH3+])c(OC)c1 ZINC000011975146 175116560 /nfs/dbraw/zinc/11/65/60/175116560.db2.gz KNUIUCAUJIFJPK-VIFPVBQESA-N 1 0 209.289 1.841 10 0 BDAERO COc1ccc(C[C@H]([NH3+])c2nccn2C)cc1 ZINC000011848580 175117044 /nfs/dbraw/zinc/11/70/44/175117044.db2.gz HPRXRSIHHCFFFS-LBPRGKRZSA-N 1 0 231.299 1.671 10 0 BDAERO COc1ccc(Cl)cc1N1C[C@@H]([NH3+])CC1=O ZINC000035679638 175121207 /nfs/dbraw/zinc/12/12/07/175121207.db2.gz ZTLQVNPKPOPKJT-QMMMGPOBSA-N 1 0 240.690 1.413 10 0 BDAERO COc1ccc(F)cc1CCN(C)CC[NH3+] ZINC000077340141 175129376 /nfs/dbraw/zinc/12/93/76/175129376.db2.gz LMZYFQDHKFQDPQ-UHFFFAOYSA-N 1 0 226.295 1.267 10 0 BDAERO COc1ccc(F)cc1[C@@H](O)C[NH2+]C1CC1 ZINC000049820007 175133163 /nfs/dbraw/zinc/13/31/63/175133163.db2.gz ZDSDWEPAAAWUBX-NSHDSACASA-N 1 0 225.263 1.620 10 0 BDAERO [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(F)F ZINC000383493508 487629881 /nfs/dbraw/zinc/62/98/81/487629881.db2.gz QQGGPZYAWFBILW-KZVJFYERSA-N 1 0 232.274 1.131 10 0 BDAERO COc1ccc(NC(=O)[C@](C)([NH3+])C2CC2)cc1 ZINC000037614104 175147757 /nfs/dbraw/zinc/14/77/57/175147757.db2.gz ULENBRSELYPVLG-CYBMUJFWSA-N 1 0 234.299 1.761 10 0 BDAERO COc1ccc(NCc2c[nH]cn2)cn1 ZINC000054762856 175151510 /nfs/dbraw/zinc/15/15/10/175151510.db2.gz QLNVBLBLNDQUBK-UHFFFAOYSA-N 1 0 204.233 1.425 10 0 BDAERO COc1ccc(NC[C@H](O)CC[NH3+])cc1Cl ZINC000071559480 175151666 /nfs/dbraw/zinc/15/16/66/175151666.db2.gz KKCFJBXNZXAZGG-SECBINFHSA-N 1 0 244.722 1.470 10 0 BDAERO COc1ccc(NC[C@@H](O)CC[NH3+])cc1Cl ZINC000071559481 175151686 /nfs/dbraw/zinc/15/16/86/175151686.db2.gz KKCFJBXNZXAZGG-VIFPVBQESA-N 1 0 244.722 1.470 10 0 BDAERO COc1ccc(OC)c(-c2nnc(CC[NH3+])o2)c1 ZINC000050283857 175163196 /nfs/dbraw/zinc/16/31/96/175163196.db2.gz HBHGZAMRZCYLIS-UHFFFAOYSA-N 1 0 249.270 1.255 10 0 BDAERO COc1ccc(OC)c(CC2C[NH2+]C2)c1 ZINC000019282761 175165711 /nfs/dbraw/zinc/16/57/11/175165711.db2.gz MLWSULLFPZZWGC-UHFFFAOYSA-N 1 0 207.273 1.466 10 0 BDAERO COc1ccc(OC)c([C@@H]2C[NH2+]CCO2)c1 ZINC000011803074 175168366 /nfs/dbraw/zinc/16/83/66/175168366.db2.gz ZSSXDMNVMKGEBE-LBPRGKRZSA-N 1 0 223.272 1.365 10 0 BDAERO COc1ccc([C@@H](CC[NH3+])OC)cc1OC ZINC000049820069 175178403 /nfs/dbraw/zinc/17/84/03/175178403.db2.gz HSKKCQXAXAVVLB-SNVBAGLBSA-N 1 0 225.288 1.740 10 0 BDAERO COc1ccc([C@@H](CC[NH3+])C(=O)NC2CC2)cc1 ZINC000076633743 175178496 /nfs/dbraw/zinc/17/84/96/175178496.db2.gz JXRSNMZWYUGBJR-CYBMUJFWSA-N 1 0 248.326 1.406 10 0 BDAERO COc1ccc([C@@H]([NH3+])CCO)cc1Cl ZINC000044233838 175179816 /nfs/dbraw/zinc/17/98/16/175179816.db2.gz FCIHTARFOLHTOF-VIFPVBQESA-N 1 0 215.680 1.731 10 0 BDAERO COc1ccc([C@@H](O)CC[NH+](C)C)c(OC)c1 ZINC000041148464 175180649 /nfs/dbraw/zinc/18/06/49/175180649.db2.gz VKMCEYQIRIKUGO-LBPRGKRZSA-N 1 0 239.315 1.689 10 0 BDAERO COc1ccc([C@@H](O)C[NH3+])cc1Cl ZINC000034183944 175180666 /nfs/dbraw/zinc/18/06/66/175180666.db2.gz FNZGVRAIYSDTRZ-QMMMGPOBSA-N 1 0 201.653 1.341 10 0 BDAERO COc1ccc([C@@H](O)C[NH3+])c(Br)c1 ZINC000096880043 175180898 /nfs/dbraw/zinc/18/08/98/175180898.db2.gz BFRPYWDRKHGFEQ-VIFPVBQESA-N 1 0 246.104 1.450 10 0 BDAERO COc1ccc([C@@H](O)CC[NH+](C)C)c(C)c1 ZINC000041164752 175180945 /nfs/dbraw/zinc/18/09/45/175180945.db2.gz QYDSXJZNHUAKGZ-ZDUSSCGKSA-N 1 0 223.316 1.989 10 0 BDAERO COc1ccc([C@@H]([C@H](C)[NH3+])n2cccn2)cc1 ZINC000042962195 175181688 /nfs/dbraw/zinc/18/16/88/175181688.db2.gz LWVRWBYQZINYFX-GXFFZTMASA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccc([C@@H]2C[NH2+][C@@H](C)CO2)cc1OC ZINC000033466003 175184188 /nfs/dbraw/zinc/18/41/88/175184188.db2.gz FLZQKONIXCWMGK-ZANVPECISA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@H](C)O2)c(OC)c1 ZINC000033466025 175184190 /nfs/dbraw/zinc/18/41/90/175184190.db2.gz PPPDINSFRICPHN-ZANVPECISA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@@H]2C[NH2+][C@H](C)CO2)cc1OC ZINC000033466005 175184438 /nfs/dbraw/zinc/18/44/38/175184438.db2.gz FLZQKONIXCWMGK-RNCFNFMXSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@H](C[NH3+])n2ccnc2)cc1 ZINC000042962229 175191261 /nfs/dbraw/zinc/19/12/61/175191261.db2.gz YEWVGOVQRDMMCA-LBPRGKRZSA-N 1 0 217.272 1.440 10 0 BDAERO COc1ccc([C@H](O)C(C)(C)[NH3+])cc1O ZINC000019684291 175193077 /nfs/dbraw/zinc/19/30/77/175193077.db2.gz IIDSODZUXZMTIO-JTQLQIEISA-N 1 0 211.261 1.172 10 0 BDAERO COc1ccc([C@H](O)C[NH+](C)C)c(OC)c1 ZINC000019784802 175193374 /nfs/dbraw/zinc/19/33/74/175193374.db2.gz ONMCGLJUXFZLNX-LLVKDONJSA-N 1 0 225.288 1.299 10 0 BDAERO COc1ccc([C@H](O)CC[NH+](C)C)c(C)c1 ZINC000041164750 175193494 /nfs/dbraw/zinc/19/34/94/175193494.db2.gz QYDSXJZNHUAKGZ-CYBMUJFWSA-N 1 0 223.316 1.989 10 0 BDAERO COc1ccc([C@H](O)C[NH3+])c(Br)c1 ZINC000096880042 175193601 /nfs/dbraw/zinc/19/36/01/175193601.db2.gz BFRPYWDRKHGFEQ-SECBINFHSA-N 1 0 246.104 1.450 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCO2)c(F)c1 ZINC000082953003 175196599 /nfs/dbraw/zinc/19/65/99/175196599.db2.gz FPOSBNWCYUKZMI-LLVKDONJSA-N 1 0 211.236 1.495 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCO2)cc1F ZINC000037405143 175197223 /nfs/dbraw/zinc/19/72/23/175197223.db2.gz ZXGAILBTOGPLLA-LLVKDONJSA-N 1 0 211.236 1.495 10 0 BDAERO COc1ccc2[nH]c([C@@H](C)C[NH3+])nc2c1 ZINC000076015053 175202005 /nfs/dbraw/zinc/20/20/05/175202005.db2.gz CEUUEINQYLIBKY-ZETCQYMHSA-N 1 0 205.261 1.634 10 0 BDAERO COc1ccc2[nH]cc(CNCC[NH3+])c2c1 ZINC000253565568 175202861 /nfs/dbraw/zinc/20/28/61/175202861.db2.gz HWQZOPKXUWYHSD-UHFFFAOYSA-N 1 0 219.288 1.225 10 0 BDAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)C(N)=O ZINC000035792979 175207574 /nfs/dbraw/zinc/20/75/74/175207574.db2.gz FQDFTRYWINZAAZ-ZANVPECISA-N 1 0 248.326 1.536 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])CCC[S@@]2=O ZINC000040975674 175214655 /nfs/dbraw/zinc/21/46/55/175214655.db2.gz OUTQMAMLJAGKMH-ZUZCIYMTSA-N 1 0 225.313 1.596 10 0 BDAERO COc1ccc2c(c1)[C@@H](O)[C@H]([NH3+])CCC2 ZINC000019795591 175214880 /nfs/dbraw/zinc/21/48/80/175214880.db2.gz AIFCWXUDLPHAAP-VXGBXAGGSA-N 1 0 207.273 1.392 10 0 BDAERO COc1ccc2c(c1OC)CC[NH2+][C@@H]2C ZINC000032232164 175222121 /nfs/dbraw/zinc/22/21/21/175222121.db2.gz SEYRYNQIKPBTNF-MRVPVSSYSA-N 1 0 207.273 1.911 10 0 BDAERO COc1ccc2c(c1O[C@H]1CC[NH2+]C1)CCC2 ZINC000004393654 175222775 /nfs/dbraw/zinc/22/27/75/175222775.db2.gz QDJAYXYEXHVXJV-NSHDSACASA-N 1 0 233.311 1.925 10 0 in-vitro BDAERO COc1ccc2ccccc2c1[C@H]([NH3+])CO ZINC000038124728 175226515 /nfs/dbraw/zinc/22/65/15/175226515.db2.gz NERSOVDFHFUMCR-LLVKDONJSA-N 1 0 217.268 1.841 10 0 BDAERO COc1cccc(C(=O)N(C)[C@H](C)CC[NH3+])c1 ZINC000063085640 175242159 /nfs/dbraw/zinc/24/21/59/175242159.db2.gz NGPPBZGTWGHKFW-SNVBAGLBSA-N 1 0 236.315 1.505 10 0 BDAERO COc1cccc(C2CC([NH2+][C@@H](C)CO)C2)c1 ZINC000036846542 175249327 /nfs/dbraw/zinc/24/93/27/175249327.db2.gz JYXAYSPIMVLRRV-PKSQDBQZSA-N 1 0 235.327 1.912 10 0 BDAERO COc1cccc(C[C@@H]([NH3+])[C@@H]2CCOC2)c1 ZINC000048627561 175271796 /nfs/dbraw/zinc/27/17/96/175271796.db2.gz STFZLVALMOZVEU-DGCLKSJQSA-N 1 0 221.300 1.602 10 0 BDAERO COc1cccc(C[C@@H](O)[C@@H]2CCC[NH2+]2)c1 ZINC000041237419 175271904 /nfs/dbraw/zinc/27/19/04/175271904.db2.gz NRVZQOILCITYFS-QWHCGFSZSA-N 1 0 221.300 1.351 10 0 BDAERO COc1cccc(Cn2ccnc2C[C@@H](C)[NH3+])c1 ZINC000062802806 175273692 /nfs/dbraw/zinc/27/36/92/175273692.db2.gz FGPNCHFEXKPOQL-LLVKDONJSA-N 1 0 245.326 1.830 10 0 BDAERO COc1cccc(OCc2nc(CC[NH3+])c[nH]2)c1 ZINC000071561705 175283803 /nfs/dbraw/zinc/28/38/03/175283803.db2.gz LXEVRYLYACQQCT-UHFFFAOYSA-N 1 0 247.298 1.499 10 0 BDAERO COc1cccc(OCc2noc(CC[NH3+])n2)c1 ZINC000019786267 175284297 /nfs/dbraw/zinc/28/42/97/175284297.db2.gz VNVDHJQHYJHXMR-UHFFFAOYSA-N 1 0 249.270 1.158 10 0 BDAERO COc1cccc(O[C@H](C[NH3+])C(F)(F)F)c1 ZINC000037169948 175285036 /nfs/dbraw/zinc/28/50/36/175285036.db2.gz PMITZEJLLWBRAN-SECBINFHSA-N 1 0 235.205 1.964 10 0 BDAERO COc1cccc([C@@H]([NH3+])Cn2cccn2)c1 ZINC000011849910 175288784 /nfs/dbraw/zinc/28/87/84/175288784.db2.gz GCXQMLSKYMILGY-LBPRGKRZSA-N 1 0 217.272 1.592 10 0 BDAERO COc1cccc([C@@H]([NH3+])CN2CCOCC2)c1 ZINC000019821406 175289099 /nfs/dbraw/zinc/28/90/99/175289099.db2.gz HNQYYWUGBURUEW-ZDUSSCGKSA-N 1 0 236.315 1.027 10 0 BDAERO COc1cccc([C@@H](O)C[C@H]2CC[NH2+]C2)c1 ZINC000134128235 175289539 /nfs/dbraw/zinc/28/95/39/175289539.db2.gz MQVNHHXGWCBFIB-MFKMUULPSA-N 1 0 221.300 1.728 10 0 BDAERO COc1cccc([C@H](O)CC[NH3+])c1OC ZINC000082953260 175294751 /nfs/dbraw/zinc/29/47/51/175294751.db2.gz HQVZLTSDFAQWHE-SECBINFHSA-N 1 0 211.261 1.086 10 0 BDAERO COc1cccc([C@H]2C[NH2+]C[C@@H](C)O2)c1 ZINC000032011709 175295916 /nfs/dbraw/zinc/29/59/16/175295916.db2.gz PFPCQMFBAXRDGB-BXKDBHETSA-N 1 0 207.273 1.745 10 0 BDAERO COc1cccc([C@H]2C[NH2+][C@@H](C)CO2)c1 ZINC000032011697 175295938 /nfs/dbraw/zinc/29/59/38/175295938.db2.gz UMZZZGCYPUGUQI-JOYOIKCWSA-N 1 0 207.273 1.745 10 0 BDAERO COc1cccc([C@]23C[N@H+](C)C[C@@H]2CC3=O)c1 ZINC000027704200 175297406 /nfs/dbraw/zinc/29/74/06/175297406.db2.gz VDOONFHZSIUWEA-SMDDNHRTSA-N 1 0 231.295 1.467 10 0 BDAERO COc1cccc([C@]2(C)C[C@]2(C[NH3+])CO)c1 ZINC000070501079 175297423 /nfs/dbraw/zinc/29/74/23/175297423.db2.gz PAJBSKKLHBYYCX-STQMWFEESA-N 1 0 221.300 1.294 10 0 BDAERO COc1cccc2c3c([nH]c21)C[NH2+]CC3 ZINC000025963555 175306357 /nfs/dbraw/zinc/30/63/57/175306357.db2.gz KKTKOWJABJYACN-UHFFFAOYSA-N 1 0 202.257 1.822 10 0 in-vivo BDAERO COc1ccccc1-c1nnc(CC[NH3+])o1 ZINC000011585771 175312230 /nfs/dbraw/zinc/31/22/30/175312230.db2.gz MCTJKRNUONPTCF-UHFFFAOYSA-N 1 0 219.244 1.246 10 0 BDAERO COc1ccccc1C(=O)[C@@H]([NH3+])C(C)C ZINC000032011732 175318901 /nfs/dbraw/zinc/31/89/01/175318901.db2.gz XLVGCWZOCPMTNY-NSHDSACASA-N 1 0 207.273 1.861 10 0 BDAERO COc1ccccc1CCN1CC[NH2+]C[C@H](C)C1 ZINC000071563468 175322561 /nfs/dbraw/zinc/32/25/61/175322561.db2.gz VUHIKFDHCQQZKT-ZDUSSCGKSA-N 1 0 248.370 1.779 10 0 BDAERO COc1ccccc1CCC[C@@H](O)C[NH3+] ZINC000071511666 175322954 /nfs/dbraw/zinc/32/29/54/175322954.db2.gz RJTBYGKFMBGAAG-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO COc1ccccc1CN1CCC[NH2+]CCC1 ZINC000049663987 175327959 /nfs/dbraw/zinc/32/79/59/175327959.db2.gz UGJSGZGJUQVDCS-UHFFFAOYSA-N 1 0 234.343 1.881 10 0 BDAERO COc1ccccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000089151192 175329914 /nfs/dbraw/zinc/32/99/14/175329914.db2.gz KFEVYJXEVRHTQQ-DGCLKSJQSA-N 1 0 235.327 1.946 10 0 BDAERO COc1ccccc1COC(=O)CC[NH3+] ZINC000049814463 175331936 /nfs/dbraw/zinc/33/19/36/175331936.db2.gz RPIGUINDGSSIFR-UHFFFAOYSA-N 1 0 209.245 1.087 10 0 BDAERO COc1ccccc1C[C@H](C)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309828 175332465 /nfs/dbraw/zinc/33/24/65/175332465.db2.gz XKOIPRQWCRJJQL-GXTWGEPZSA-N 1 0 248.370 1.920 10 0 BDAERO COc1ccccc1OCC[C@@](C)(O)C[NH3+] ZINC000019668216 175342084 /nfs/dbraw/zinc/34/20/84/175342084.db2.gz GEBTZWPZKMSWBB-GFCCVEGCSA-N 1 0 225.288 1.174 10 0 BDAERO COc1ccccc1[C@@H]([NH3+])c1cncnc1 ZINC000052886890 175347884 /nfs/dbraw/zinc/34/78/84/175347884.db2.gz MBGMUXDDQPKUSB-LBPRGKRZSA-N 1 0 215.256 1.533 10 0 BDAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])n1cncn1 ZINC000043098654 175348139 /nfs/dbraw/zinc/34/81/39/175348139.db2.gz CNTHLEGRAIADMK-BXKDBHETSA-N 1 0 232.287 1.223 10 0 BDAERO COc1ccccc1[C@@H]1C[NH2+]CCOC1 ZINC000071510363 175349151 /nfs/dbraw/zinc/34/91/51/175349151.db2.gz BMWQARGNFQJPHR-SNVBAGLBSA-N 1 0 207.273 1.399 10 0 BDAERO COc1ccccc1[C@H](O)[C@H]1CCCC[NH2+]1 ZINC000041237231 175354042 /nfs/dbraw/zinc/35/40/42/175354042.db2.gz QDKOCJAVJNKBJZ-YPMHNXCESA-N 1 0 221.300 1.871 10 0 BDAERO COc1ccccc1[C@]1(O)C[NH+]2CCC1CC2 ZINC000013740315 175356521 /nfs/dbraw/zinc/35/65/21/175356521.db2.gz BDNLTWLFUUNXAT-AWEZNQCLSA-N 1 0 233.311 1.608 10 0 BDAERO COc1ccccc1[C@]1(C)OC[C@H](C[NH3+])O1 ZINC000049819279 175356627 /nfs/dbraw/zinc/35/66/27/175356627.db2.gz KBBQTCXLMPGZKN-JOYOIKCWSA-N 1 0 223.272 1.242 10 0 BDAERO COc1nc(N[C@H]2CC[N@@H+]3CCC[C@H]23)ccc1N ZINC000049564611 175395591 /nfs/dbraw/zinc/39/55/91/175395591.db2.gz PEJXSRJBSXAJGV-WDEREUQCSA-N 1 0 248.330 1.321 10 0 BDAERO COc1nccnc1COC[C@H]1CCC[NH2+]C1 ZINC000095071648 175413608 /nfs/dbraw/zinc/41/36/08/175413608.db2.gz BTZGOUNRXLDLBM-JTQLQIEISA-N 1 0 237.303 1.001 10 0 BDAERO CSC1=CC(OC2CC2)=C[C@@H](C[NH3+])N1 ZINC000095737818 175455430 /nfs/dbraw/zinc/45/54/30/175455430.db2.gz KJPBNTUGSKWOQP-ZETCQYMHSA-N 1 0 212.318 1.184 10 0 BDAERO C[C@@H](C(=O)N1CCC2(CCCC2)C1)C1C[NH2+]C1 ZINC000310276526 175604064 /nfs/dbraw/zinc/60/40/64/175604064.db2.gz UHPQYOOGUQOMTC-LLVKDONJSA-N 1 0 236.359 1.635 10 0 BDAERO C[C@@H](C(=O)Nc1ccccc1N)[NH+]1CCCC1 ZINC000022154332 175621515 /nfs/dbraw/zinc/62/15/15/175621515.db2.gz LTRGDUOFJXDOOD-JTQLQIEISA-N 1 0 233.315 1.692 10 0 BDAERO C[C@@H](C[NH3+])COc1cccc(F)c1F ZINC000062613175 175708082 /nfs/dbraw/zinc/70/80/82/175708082.db2.gz VFOVUCWOHLBHOE-ZETCQYMHSA-N 1 0 201.216 1.938 10 0 BDAERO C[C@@H](C[NH2+]C1CCCC1)N1CCSCC1 ZINC000053488897 175730203 /nfs/dbraw/zinc/73/02/03/175730203.db2.gz MJHCTPCBINAZSO-NSHDSACASA-N 1 0 228.405 1.956 10 0 BDAERO C[C@@H]([NH3+])Cc1noc(Cc2cccc(F)c2)n1 ZINC000054161450 175808236 /nfs/dbraw/zinc/80/82/36/175808236.db2.gz XBANIQLMZQCGPQ-MRVPVSSYSA-N 1 0 235.262 1.689 10 0 BDAERO C[C@@H]([NH3+])[C@H](Sc1nc[nH]n1)C(C)(C)C ZINC000043297391 175812952 /nfs/dbraw/zinc/81/29/52/175812952.db2.gz DXFMTMYKGPVGFW-RQJHMYQMSA-N 1 0 214.338 1.659 10 0 BDAERO C[C@@H]([NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000058089213 175818030 /nfs/dbraw/zinc/81/80/30/175818030.db2.gz ILNOSMSMOLVXDJ-SSDOTTSWSA-N 1 0 204.273 1.936 10 0 BDAERO C[C@@H](NC(=O)[C@@](C)([NH3+])C1CC1)c1ccccn1 ZINC000037614517 175844535 /nfs/dbraw/zinc/84/45/35/175844535.db2.gz JMLAPPBXRDQUOU-RNCFNFMXSA-N 1 0 233.315 1.386 10 0 BDAERO C[C@@H](O)c1ccccc1NC(=O)C[NH2+]C1CC1 ZINC000049547440 176000039 /nfs/dbraw/zinc/00/00/39/176000039.db2.gz YWRPEOBAIFAQKT-SECBINFHSA-N 1 0 234.299 1.430 10 0 BDAERO C[C@@H](Oc1ccc(Cl)cc1C[NH3+])C(N)=O ZINC000036894915 176004186 /nfs/dbraw/zinc/00/41/86/176004186.db2.gz YCANLXZFHFCDGW-ZCFIWIBFSA-N 1 0 228.679 1.051 10 0 BDAERO C[C@@H](O[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068431 176004354 /nfs/dbraw/zinc/00/43/54/176004354.db2.gz RBAOTLLTHNLGTL-ZJUUUORDSA-N 1 0 207.277 1.306 10 0 BDAERO C[C@@H]([C@H]([NH3+])c1ccccc1)S(C)(=O)=O ZINC000054930049 176011927 /nfs/dbraw/zinc/01/19/27/176011927.db2.gz DZBPGXPLUUOOCX-WPRPVWTQSA-N 1 0 213.302 1.120 10 0 BDAERO C[C@@H]([C@H]1CCCC[NH2+]1)N1CCCOC1=O ZINC000043373332 176012491 /nfs/dbraw/zinc/01/24/91/176012491.db2.gz TUIMARQJMVPOJG-VHSXEESVSA-N 1 0 212.293 1.359 10 0 BDAERO C[C@@H](c1ccc(N)cc1)[NH+]1CCC(O)CC1 ZINC000040908719 176015528 /nfs/dbraw/zinc/01/55/28/176015528.db2.gz JBIUQXTZMPPWOP-JTQLQIEISA-N 1 0 220.316 1.787 10 0 BDAERO C[C@@H](c1ccccc1)[C@H]([NH3+])c1nnn[n-]1 ZINC000041046533 176023336 /nfs/dbraw/zinc/02/33/36/176023336.db2.gz HMRALZWAXGNQKU-CBAPKCEASA-N 1 0 203.249 1.003 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N2CCOCC2)C1 ZINC000019435793 176052132 /nfs/dbraw/zinc/05/21/32/176052132.db2.gz YNXXLWSDNICBRK-TZMCWYRMSA-N 1 0 240.391 1.862 10 0 BDAERO C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000246870191 176067521 /nfs/dbraw/zinc/06/75/21/176067521.db2.gz JLVKGSOSLWMVHQ-OUAUKWLOSA-N 1 0 210.321 1.515 10 0 BDAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000246901878 176079775 /nfs/dbraw/zinc/07/97/75/176079775.db2.gz LNNKPTXAJYUCBX-KKOKHZNYSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000246901906 176080263 /nfs/dbraw/zinc/08/02/63/176080263.db2.gz LNNKPTXAJYUCBX-RHYQMDGZSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CCCC[C@H]1[NH2+]CCn1cccnc1=O ZINC000053500144 176088265 /nfs/dbraw/zinc/08/82/65/176088265.db2.gz KZVSCBASBHHLCP-VXGBXAGGSA-N 1 0 235.331 1.412 10 0 BDAERO C[C@@H]1CCCC[C@]1([NH2+]C[C@@H]1CCCO1)C(N)=O ZINC000037942930 176090934 /nfs/dbraw/zinc/09/09/34/176090934.db2.gz NGMIDCRKFVQZQO-NTZNESFSSA-N 1 0 240.347 1.189 10 0 BDAERO C[C@@H]1CCCN1C(=O)COc1ccc(C[NH3+])cc1 ZINC000037909675 176104730 /nfs/dbraw/zinc/10/47/30/176104730.db2.gz DNPGZCWMTSRPMQ-LLVKDONJSA-N 1 0 248.326 1.535 10 0 BDAERO C[C@@H]1CCC[N@@H+]1C1(CN)CCSCC1 ZINC000042335132 176107045 /nfs/dbraw/zinc/10/70/45/176107045.db2.gz YGHUWXPKVMRSIG-SNVBAGLBSA-N 1 0 214.378 1.695 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCC(C)(C)C ZINC000051793231 176111340 /nfs/dbraw/zinc/11/13/40/176111340.db2.gz CARFVFDWSJRSMF-ZJUUUORDSA-N 1 0 212.337 1.537 10 0 BDAERO C[C@@H]1CCC[N@@H+]1[C@]1(CN)CCCSC1 ZINC000061590095 176111417 /nfs/dbraw/zinc/11/14/17/176111417.db2.gz JEUHZEMNUUGWGO-MNOVXSKESA-N 1 0 214.378 1.695 10 0 BDAERO C[C@@H]1CCC[C@@]([NH2+]C2CCCC2)(C(N)=O)C1 ZINC000037968734 176133460 /nfs/dbraw/zinc/13/34/60/176133460.db2.gz SACPSSYWOYNZLK-MFKMUULPSA-N 1 0 224.348 1.953 10 0 BDAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cc[nH]n2)C1 ZINC000053116447 176133760 /nfs/dbraw/zinc/13/37/60/176133760.db2.gz IYTWTOKYIJSJTC-ZYHUDNBSSA-N 1 0 223.320 1.441 10 0 BDAERO C[C@@H]1CCC[C@@]([NH3+])(Cc2cnn(C)c2)C1 ZINC000050541564 176133877 /nfs/dbraw/zinc/13/38/77/176133877.db2.gz DCZAPEUOQXWQHF-PWSUYJOCSA-N 1 0 207.321 1.870 10 0 BDAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2ncc[nH]2)C1 ZINC000053117459 176134059 /nfs/dbraw/zinc/13/40/59/176134059.db2.gz RAWYWYGVDHPEPV-ZYHUDNBSSA-N 1 0 223.320 1.441 10 0 BDAERO C[C@@H]1CCC[C@H](N(C)C(=O)n2cc[n+](C)c2)C1 ZINC000042494065 176140997 /nfs/dbraw/zinc/14/09/97/176140997.db2.gz XTHMAWVRBOSQSN-NEPJUHHUSA-N 1 0 236.339 1.791 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1cccnc1 ZINC000127511628 176187321 /nfs/dbraw/zinc/18/73/21/176187321.db2.gz KAAULJITZVBPFE-WZRBSPASSA-N 1 0 247.342 1.647 10 0 BDAERO C[C@@H]1CC[C@@H](CN2C(=O)CCCCC2=O)C[NH2+]1 ZINC000062037616 176201709 /nfs/dbraw/zinc/20/17/09/176201709.db2.gz KENTUZWNBXAOOU-GHMZBOCLSA-N 1 0 238.331 1.304 10 0 BDAERO C[C@@H]1CC[C@@H]([N@@H+]2CCc3n[nH]c(=O)cc3C2)C1 ZINC000275551946 176210159 /nfs/dbraw/zinc/21/01/59/176210159.db2.gz GJLBMDZIUNJXTN-MWLCHTKSSA-N 1 0 233.315 1.317 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[NH2+]1 ZINC000019486645 176219419 /nfs/dbraw/zinc/21/94/19/176219419.db2.gz GJWWHVAPMGWUDF-MNOVXSKESA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCOC2)C[C@@H]1[NH3+] ZINC000103966482 176221349 /nfs/dbraw/zinc/22/13/49/176221349.db2.gz BTTQLSMNGKDPNS-KXNHARMFSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@@H]1CC[C@H](N)C[N@@H+]1CC1CCOCC1 ZINC000052174996 176228470 /nfs/dbraw/zinc/22/84/70/176228470.db2.gz SZZJXARLYXYKJQ-PWSUYJOCSA-N 1 0 212.337 1.225 10 0 BDAERO C[C@@H]1CCc2nc([C@@H](O)C[NH3+])sc2C1 ZINC000083347080 176239859 /nfs/dbraw/zinc/23/98/59/176239859.db2.gz ATIAHALDZKEQBJ-SVRRBLITSA-N 1 0 212.318 1.260 10 0 BDAERO C[C@@H]1CN(C(=[NH2+])Nc2ccccc2)CCN1C ZINC000104348326 176241104 /nfs/dbraw/zinc/24/11/04/176241104.db2.gz BFHOMXWSMDKYMO-LLVKDONJSA-N 1 0 232.331 1.669 10 0 BDAERO C[C@@H]1CN(C(=O)Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000073654908 176253778 /nfs/dbraw/zinc/25/37/78/176253778.db2.gz IKDRTKOHLWOTMQ-PWSUYJOCSA-N 1 0 234.299 1.855 10 0 BDAERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1ccc(=O)n(C)c1 ZINC000037785798 176278195 /nfs/dbraw/zinc/27/81/95/176278195.db2.gz MZZDSQHTBKAGKW-WZRBSPASSA-N 1 0 249.358 1.526 10 0 BDAERO C[C@@H]1CN(CCc2ccccc2F)CC[NH2+]1 ZINC000071524487 176293801 /nfs/dbraw/zinc/29/38/01/176293801.db2.gz FRMFWSJFEAINJH-LLVKDONJSA-N 1 0 222.307 1.662 10 0 BDAERO C[C@@H]1CN(CC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000037115975 176294177 /nfs/dbraw/zinc/29/41/77/176294177.db2.gz RDOSZVGGOZMYMY-OCCSQVGLSA-N 1 0 234.343 1.797 10 0 BDAERO C[C@@H]1CN(Cc2c[nH]c3ccccc23)CC[NH2+]1 ZINC000077344068 176301317 /nfs/dbraw/zinc/30/13/17/176301317.db2.gz HSJIWWLIGDNFSF-LLVKDONJSA-N 1 0 229.327 1.962 10 0 BDAERO C[C@@H]1CN(Cc2cc(C[NH3+])co2)[C@H](C)CO1 ZINC000052476574 176301767 /nfs/dbraw/zinc/30/17/67/176301767.db2.gz XMMCSNVZOJKGSK-NXEZZACHSA-N 1 0 224.304 1.348 10 0 BDAERO C[C@@H]1CN(Cc2ccc(O)cc2)CC[NH2+]1 ZINC000083344741 176305238 /nfs/dbraw/zinc/30/52/38/176305238.db2.gz QMAFWXSMDQGZDQ-SNVBAGLBSA-N 1 0 206.289 1.186 10 0 BDAERO C[C@@H]1CN(Cc2cccnc2C[NH3+])C[C@@H](C)O1 ZINC000061656417 176307270 /nfs/dbraw/zinc/30/72/70/176307270.db2.gz MSGYQKSEBQZVDE-GHMZBOCLSA-N 1 0 235.331 1.150 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)CC(C)(C)O1 ZINC000045703642 176315481 /nfs/dbraw/zinc/31/54/81/176315481.db2.gz KMSXIANWDXQUIW-UTUOFQBUSA-N 1 0 227.348 1.789 10 0 BDAERO C[C@@H]1CN(c2ccccn2)C[C@@]1(C)C[NH3+] ZINC000309037945 176319915 /nfs/dbraw/zinc/31/99/15/176319915.db2.gz HNZFFFUMXWWIJQ-ZYHUDNBSSA-N 1 0 205.305 1.503 10 0 BDAERO C[C@@H]1C[NH2+]CCCN(Cc2ccncc2)C1 ZINC000049666620 176323940 /nfs/dbraw/zinc/32/39/40/176323940.db2.gz MZVOTMAUBREYNN-GFCCVEGCSA-N 1 0 219.332 1.513 10 0 BDAERO C[C@@H]1C[NH+]=C(NCCN2CCCCC2)S1 ZINC000049575368 176324555 /nfs/dbraw/zinc/32/45/55/176324555.db2.gz KYBQQKIAMREWTA-SNVBAGLBSA-N 1 0 227.377 1.553 10 0 BDAERO C[C@@H]1C[NH+]=C(NC2CCOCC2)S1 ZINC000036320140 176324580 /nfs/dbraw/zinc/32/45/80/176324580.db2.gz SDGFTGHIWBIVJX-SSDOTTSWSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@@H]1C[NH2+]CCN(Cc2cccc(F)c2)C1 ZINC000049661831 176325184 /nfs/dbraw/zinc/32/51/84/176325184.db2.gz HVQHRVTXUDYYEV-LLVKDONJSA-N 1 0 222.307 1.867 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1N(C)C ZINC000111266441 176329529 /nfs/dbraw/zinc/32/95/29/176329529.db2.gz QWSHYBLPLQLRAC-MNOVXSKESA-N 1 0 247.342 1.547 10 0 BDAERO C[C@H](CC1CC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235424814 176329761 /nfs/dbraw/zinc/32/97/61/176329761.db2.gz WEFUXDKKFKJFQI-FXPVBKGRSA-N 1 0 210.321 1.147 10 0 BDAERO C[C@@H]1COCCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035776857 176337336 /nfs/dbraw/zinc/33/73/36/176337336.db2.gz WRAZJDGBGHQEHP-DOMZBBRYSA-N 1 0 246.354 1.422 10 0 BDAERO C[C@@H]1COCCN1Cc1cccc(C[NH3+])c1 ZINC000035774113 176337923 /nfs/dbraw/zinc/33/79/23/176337923.db2.gz WSJCLZCUZQHDEM-LLVKDONJSA-N 1 0 220.316 1.366 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2c(F)cc(F)cc2[C@@H]1[NH3+] ZINC000035755816 176349072 /nfs/dbraw/zinc/34/90/72/176349072.db2.gz GNGSZNGEMIZZSA-MLUIRONXSA-N 1 0 247.266 1.388 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2c(Cl)cccc2[C@@H]1[NH3+] ZINC000035755654 176349410 /nfs/dbraw/zinc/34/94/10/176349410.db2.gz OWTSAYAZBCCPLV-HZGVNTEJSA-N 1 0 245.731 1.763 10 0 BDAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000309134069 176397659 /nfs/dbraw/zinc/39/76/59/176397659.db2.gz RQYUVELDEMKLJB-OPRDCNLKSA-N 1 0 205.305 1.513 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@H]1CC1(C)C ZINC000309406478 176455520 /nfs/dbraw/zinc/45/55/20/176455520.db2.gz HZBCRICKKHJGPI-YTWAJWBKSA-N 1 0 224.348 1.678 10 0 BDAERO C[C@H](CC(N)=[NH2+])N(C)C(=O)OC(C)(C)C ZINC000070660475 176598155 /nfs/dbraw/zinc/59/81/55/176598155.db2.gz PHGSDEFDSHURPT-SSDOTTSWSA-N 1 0 215.297 1.568 10 0 BDAERO C[C@H](CCNC(=O)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000062117009 176629293 /nfs/dbraw/zinc/62/92/93/176629293.db2.gz FQSHSZZEBZCMDW-TZMCWYRMSA-N 1 0 246.354 1.906 10 0 BDAERO C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308661066 176637409 /nfs/dbraw/zinc/63/74/09/176637409.db2.gz PXNNLMFDEGBKJM-GMTAPVOTSA-N 1 0 203.301 1.875 10 0 BDAERO C[C@H]([NH3+])CC(=O)Nc1ccccc1[C@H](C)O ZINC000049547434 176757299 /nfs/dbraw/zinc/75/72/99/176757299.db2.gz YKBPORGNMGPYNU-IUCAKERBSA-N 1 0 222.288 1.416 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1ccncc1)n1cccn1 ZINC000043354859 176765814 /nfs/dbraw/zinc/76/58/14/176765814.db2.gz HLHNXXIGDHBZTN-ONGXEEELSA-N 1 0 202.261 1.215 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1ccc(OC(F)F)cc1 ZINC000020216895 176771193 /nfs/dbraw/zinc/77/11/93/176771193.db2.gz HEMMXABPHKVKKG-RCOVLWMOSA-N 1 0 217.215 1.669 10 0 BDAERO C[C@H]([NH3+])c1ccc(Sc2nncn2C)cc1 ZINC000019874033 176776680 /nfs/dbraw/zinc/77/66/80/176776680.db2.gz RBKYEBRGHJXQEJ-QMMMGPOBSA-N 1 0 234.328 1.986 10 0 BDAERO C[C@H](C[NH2+][C@@H](C)C(C)(C)C)N1CCOCC1 ZINC000123474987 176856878 /nfs/dbraw/zinc/85/68/78/176856878.db2.gz OXJGNDKTKBDCNR-NEPJUHHUSA-N 1 0 228.380 1.731 10 0 BDAERO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2)C(=O)N(C)C ZINC000040176497 176888802 /nfs/dbraw/zinc/88/88/02/176888802.db2.gz HDIZNYDTMWLLGK-WJTVCTBASA-N 1 0 238.375 1.877 10 0 BDAERO C[C@H](OCC[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068606 177020788 /nfs/dbraw/zinc/02/07/88/177020788.db2.gz KDXOYHQZBAXXHK-NWDGAFQWSA-N 1 0 235.331 1.944 10 0 BDAERO C[C@H](OCC[NH3+])OCCOCc1ccccc1 ZINC000085483184 177020791 /nfs/dbraw/zinc/02/07/91/177020791.db2.gz ZCTMEQORIJWGOM-GFCCVEGCSA-N 1 0 239.315 1.541 10 0 BDAERO C[C@H](OC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068474 177020814 /nfs/dbraw/zinc/02/08/14/177020814.db2.gz QOAHLQTYHOZDIL-WDEREUQCSA-N 1 0 221.304 1.696 10 0 BDAERO C[C@H](O[C@@H]1CCC[NH2+]C1)C(=O)NC(C)(C)C ZINC000020422830 177021640 /nfs/dbraw/zinc/02/16/40/177021640.db2.gz SZIGPXKQGZAZSY-VHSXEESVSA-N 1 0 228.336 1.058 10 0 BDAERO C[C@H]([NH3+])c1cccc(O[C@@H](C)C(=O)NC2CC2)c1 ZINC000020419743 177024151 /nfs/dbraw/zinc/02/41/51/177024151.db2.gz QNANCSQKQFMSMF-UWVGGRQHSA-N 1 0 248.326 1.752 10 0 BDAERO C[C@H]([C@@H]1CCC[NH2+]C1)N1CCCCC1=O ZINC000035689526 177030733 /nfs/dbraw/zinc/03/07/33/177030733.db2.gz WXVCBZAJKIOQCT-GHMZBOCLSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@H](c1ccccc1F)N1CC[C@@H]([NH3+])C1=O ZINC000049660021 177041992 /nfs/dbraw/zinc/04/19/92/177041992.db2.gz YYOAJJGFNSXWMD-LDYMZIIASA-N 1 0 222.263 1.446 10 0 BDAERO C[C@H](c1ccccn1)N1CCC[NH2+]CCC1 ZINC000049666690 177043816 /nfs/dbraw/zinc/04/38/16/177043816.db2.gz OBMHLXKZEVPQQO-GFCCVEGCSA-N 1 0 219.332 1.828 10 0 BDAERO C[C@H](c1nccs1)N1CCC[C@@H](C[NH3+])C1 ZINC000100256856 177053719 /nfs/dbraw/zinc/05/37/19/177053719.db2.gz VNCJIMQMOZVXLJ-ZJUUUORDSA-N 1 0 225.361 1.875 10 0 BDAERO C[C@H](c1nccs1)N1CCC[C@@H]1C[NH3+] ZINC000095068295 177054483 /nfs/dbraw/zinc/05/44/83/177054483.db2.gz YBAZGHYUPUSWSR-RKDXNWHRSA-N 1 0 211.334 1.627 10 0 BDAERO C[C@H]1CC(=O)N([C@]2(C[NH3+])CCC[C@@H](C)C2)C1=O ZINC000104310182 177062308 /nfs/dbraw/zinc/06/23/08/177062308.db2.gz OPRPPFKEKJUCQU-GBIKHYSHSA-N 1 0 238.331 1.289 10 0 BDAERO C[C@H]1CC(=O)N(c2cccc(F)c2C[NH3+])C1=O ZINC000103102761 177062500 /nfs/dbraw/zinc/06/25/00/177062500.db2.gz QAPQKAWCFSNADI-ZETCQYMHSA-N 1 0 236.246 1.184 10 0 BDAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccncc1 ZINC000032021368 177079159 /nfs/dbraw/zinc/07/91/59/177079159.db2.gz QCVYJDRGTWISDL-AAEUAGOBSA-N 1 0 219.332 1.956 10 0 BDAERO C[C@H]1CCCC[C@@]1([NH3+])C(=O)OCC1CC1 ZINC000041038363 177085520 /nfs/dbraw/zinc/08/55/20/177085520.db2.gz KLLCWXOXELHFMI-CABZTGNLSA-N 1 0 211.305 1.847 10 0 BDAERO C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291058 177106563 /nfs/dbraw/zinc/10/65/63/177106563.db2.gz CBOFWOFWSMRDSQ-WDEREUQCSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N1CCCCC1 ZINC000051792138 177112450 /nfs/dbraw/zinc/11/24/50/177112450.db2.gz YQXZNHFIQJHPRV-QWRGUYRKSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@H]1CCC[C@@H](C(=O)N(C)C2CCCC2)[NH2+]1 ZINC000037092988 177112493 /nfs/dbraw/zinc/11/24/93/177112493.db2.gz WTBJNXXCMUYLCR-JQWIXIFHSA-N 1 0 224.348 1.918 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C)[NH2+]2)C1 ZINC000034754799 177112854 /nfs/dbraw/zinc/11/28/54/177112854.db2.gz YSZVPPREPDIFIG-WOPDTQHZSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@H]1CCC[C@@](C[NH2+][C@@H]2CCOC2)(N(C)C)C1 ZINC000104066377 177127972 /nfs/dbraw/zinc/12/79/72/177127972.db2.gz HGDIMOCNYAKYQI-BFHYXJOUSA-N 1 0 240.391 1.875 10 0 BDAERO C[C@H]1CCC[C@H](C(=O)NC2CCCCC2)[NH2+]1 ZINC000019442611 177129214 /nfs/dbraw/zinc/12/92/14/177129214.db2.gz AZLZQPVAEJQGAK-CMPLNLGQSA-N 1 0 224.348 1.966 10 0 BDAERO C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000037982737 177137030 /nfs/dbraw/zinc/13/70/30/177137030.db2.gz UOPGFDNTJLTVOJ-SRVKXCTJSA-N 1 0 245.388 1.589 10 0 BDAERO C[C@H]1CCC[C@](CO)([NH2+]CC(C)(C)O)C1 ZINC000053125475 177143461 /nfs/dbraw/zinc/14/34/61/177143461.db2.gz JKZREMBOGZEJPP-JQWIXIFHSA-N 1 0 215.337 1.288 10 0 BDAERO C[C@H]1CCC[C@](C[NH3+])(NC(=O)NC(C)(C)C)C1 ZINC000104306745 177143937 /nfs/dbraw/zinc/14/39/37/177143937.db2.gz VYALAPRAQAXMJZ-GWCFXTLKSA-N 1 0 241.379 1.992 10 0 BDAERO C[C@H]1CCN(CCc2ccncc2)CC[NH2+]1 ZINC000049662230 177162238 /nfs/dbraw/zinc/16/22/38/177162238.db2.gz XQSNKBUOPSMMPJ-LBPRGKRZSA-N 1 0 219.332 1.308 10 0 BDAERO C[C@H]1CC[N@H+](C[C@H](O)c2ccc(N)cc2)C1 ZINC000051324317 177162470 /nfs/dbraw/zinc/16/24/70/177162470.db2.gz KLIJRUHPAWULDJ-GWCFXTLKSA-N 1 0 220.316 1.644 10 0 BDAERO C[C@H]1CC[NH2+]CCCN1C(=O)OC(C)(C)C ZINC000082350116 177174323 /nfs/dbraw/zinc/17/43/23/177174323.db2.gz FQUXZDQJZOEDBI-JTQLQIEISA-N 1 0 228.336 1.995 10 0 BDAERO C[C@H]1CC[C@@H](C(=O)N2CCCCCC2)C[NH2+]1 ZINC000019515599 177180932 /nfs/dbraw/zinc/18/09/32/177180932.db2.gz ZFKZWJJTEJGEKI-NWDGAFQWSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@H]1CC[C@@H]([NH3+])CN1CCOc1ccccc1 ZINC000044421615 177191473 /nfs/dbraw/zinc/19/14/73/177191473.db2.gz DJNIPRUKTSRZSI-QWHCGFSZSA-N 1 0 234.343 1.877 10 0 BDAERO C[C@H]1CC[C@H](C(=O)N2CCc3ccccc32)C[NH2+]1 ZINC000019518114 177196323 /nfs/dbraw/zinc/19/63/23/177196323.db2.gz SWUHGAJSIVZESK-AAEUAGOBSA-N 1 0 244.338 1.964 10 0 BDAERO C[C@H]1CC[C@H](CN2C(=O)CCCCC2=O)C[NH2+]1 ZINC000062037615 177201765 /nfs/dbraw/zinc/20/17/65/177201765.db2.gz KENTUZWNBXAOOU-QWRGUYRKSA-N 1 0 238.331 1.304 10 0 BDAERO C[C@H]1CN(C(=O)c2ccccc2)C[C@H]1[NH+](C)C ZINC000089710169 177228434 /nfs/dbraw/zinc/22/84/34/177228434.db2.gz HKJWBMYDBUEXEB-WCQYABFASA-N 1 0 232.327 1.709 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccn2C2CC2)C[C@H](C)[NH2+]1 ZINC000070076425 177228704 /nfs/dbraw/zinc/22/87/04/177228704.db2.gz KNMQSVJQDXBKLP-PHIMTYICSA-N 1 0 247.342 1.645 10 0 BDAERO C[C@H]1C[N@H+](CCC(C)(C)O)C[C@@H]1N(C)C ZINC000124739857 177246162 /nfs/dbraw/zinc/24/61/62/177246162.db2.gz YXKNNMHZSJJCJN-QWRGUYRKSA-N 1 0 214.353 1.029 10 0 BDAERO C[C@H]1CN(CCOc2ccccc2)CCC[NH2+]1 ZINC000062617283 177252764 /nfs/dbraw/zinc/25/27/64/177252764.db2.gz WFMBFSOINQESFL-ZDUSSCGKSA-N 1 0 234.343 1.749 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1CC[NH2+]Cc1ccco1 ZINC000053382222 177253010 /nfs/dbraw/zinc/25/30/10/177253010.db2.gz ACUIJRYUYYGDRJ-NEPJUHHUSA-N 1 0 238.331 1.478 10 0 BDAERO C[C@@H]1CN(CC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000026515221 177254038 /nfs/dbraw/zinc/25/40/38/177254038.db2.gz KQGUQLJEJBDBSF-XQQFMLRXSA-N 1 0 226.364 1.628 10 0 BDAERO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCc1ccccc1N ZINC000052918300 177255062 /nfs/dbraw/zinc/25/50/62/177255062.db2.gz WZGSBBQALNKGCA-NEPJUHHUSA-N 1 0 234.343 1.921 10 0 BDAERO C[C@H]1CN(C[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000061918642 177257238 /nfs/dbraw/zinc/25/72/38/177257238.db2.gz CJNMOVIKFZVJFA-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO C[C@H]1C[N@H+](C[C@@H](O)C(C)(C)C)CCS1 ZINC000306359540 177257510 /nfs/dbraw/zinc/25/75/10/177257510.db2.gz DIKJWWQVZJUDFC-VHSXEESVSA-N 1 0 217.378 1.831 10 0 BDAERO C[C@H]1CN(Cc2cccnc2N)C[C@H]1[NH+](C)C ZINC000251929908 177267617 /nfs/dbraw/zinc/26/76/17/177267617.db2.gz YQVHVQCZJJNTDU-CMPLNLGQSA-N 1 0 234.347 1.046 10 0 BDAERO C[C@H]1CN(Cc2csc(C[NH3+])n2)CCCO1 ZINC000061935610 177270495 /nfs/dbraw/zinc/27/04/95/177270495.db2.gz ISMCFDVPNKYTES-VIFPVBQESA-N 1 0 241.360 1.213 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1Cc1csc(C[NH3+])n1 ZINC000052476548 177270761 /nfs/dbraw/zinc/27/07/61/177270761.db2.gz LUWWUDWXGMOYNC-BDAKNGLRSA-N 1 0 241.360 1.211 10 0 BDAERO C[C@H]1CN([C@@H](C[NH3+])c2ccccc2)CCO1 ZINC000019265379 177273466 /nfs/dbraw/zinc/27/34/66/177273466.db2.gz MEMVBWNRRHLNDI-AAEUAGOBSA-N 1 0 220.316 1.407 10 0 BDAERO C[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2O)C[C@H](C)O1 ZINC000037490579 177274731 /nfs/dbraw/zinc/27/47/31/177274731.db2.gz YRSZSOYQHBRMEW-KXNHARMFSA-N 1 0 213.321 1.399 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cscn1 ZINC000082699273 177279880 /nfs/dbraw/zinc/27/98/80/177279880.db2.gz NVAKNJHCQOUJMA-CMPLNLGQSA-N 1 0 237.372 1.812 10 0 BDAERO C[C@H]1C[NH2+]CCN1CCc1ccc(F)cc1 ZINC000041240776 177283698 /nfs/dbraw/zinc/28/36/98/177283698.db2.gz QGULYCNRYLYXGG-NSHDSACASA-N 1 0 222.307 1.662 10 0 BDAERO C[C@@H]1C[N@H+](C2Cc3ccccc3C2)[C@@H](C)CN1 ZINC000083357671 177286759 /nfs/dbraw/zinc/28/67/59/177286759.db2.gz UMRZZTXIWMIQIW-NEPJUHHUSA-N 1 0 230.355 1.836 10 0 BDAERO C[C@H]1CSC(NCc2ccncc2)=[NH+]1 ZINC000035295138 177303448 /nfs/dbraw/zinc/30/34/48/177303448.db2.gz HPEQVGDPSUIFFL-QMMMGPOBSA-N 1 0 207.302 1.663 10 0 BDAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2[NH2+]CCC[C@@H]2C)C1 ZINC000051791777 177311434 /nfs/dbraw/zinc/31/14/34/177311434.db2.gz JGPNLPATBQGRDC-QNWHQSFQSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2[NH2+]CCC[C@H]2C)C1 ZINC000051791771 177312043 /nfs/dbraw/zinc/31/20/43/177312043.db2.gz JGPNLPATBQGRDC-XQHKEYJVSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])c2cccc(Cl)c2S1(=O)=O ZINC000035752138 177327793 /nfs/dbraw/zinc/32/77/93/177327793.db2.gz RPKMFUNQCRYXBX-IMTBSYHQSA-N 1 0 245.731 1.906 10 0 BDAERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc(=O)n(C)c1 ZINC000037785801 177334770 /nfs/dbraw/zinc/33/47/70/177334770.db2.gz MZZDSQHTBKAGKW-NTZNESFSSA-N 1 0 249.358 1.526 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000052287708 177350192 /nfs/dbraw/zinc/35/01/92/177350192.db2.gz INCQHBLCYVOMDU-KWQFWETISA-N 1 0 222.263 1.762 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000052289200 177384448 /nfs/dbraw/zinc/38/44/48/177384448.db2.gz IJWGUTZZGGTQDP-ZWKOPEQDSA-N 1 0 230.311 1.226 10 0 BDAERO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CSCN1 ZINC000019439036 177389518 /nfs/dbraw/zinc/38/95/18/177389518.db2.gz SPZJSLAEVSDSDA-ONGXEEELSA-N 1 0 248.351 1.627 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000282287671 177393189 /nfs/dbraw/zinc/39/31/89/177393189.db2.gz IRIJZTKAXHGKTB-YGRLFVJLSA-N 1 0 244.338 1.411 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC1CCCC1 ZINC000309789452 177394170 /nfs/dbraw/zinc/39/41/70/177394170.db2.gz OXNGDRVSNHCQEV-ZYHUDNBSSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NCc1cscn1 ZINC000307272168 177396392 /nfs/dbraw/zinc/39/63/92/177396392.db2.gz NWBLEYDTEHEFII-PSASIEDQSA-N 1 0 211.334 1.373 10 0 BDAERO Cc1nc[nH]c1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000054797517 177532486 /nfs/dbraw/zinc/53/24/86/177532486.db2.gz DUVLBIDUIFRURY-MWLCHTKSSA-N 1 0 209.293 1.111 10 0 BDAERO Cc1nc[nH]c1C[C@H]([NH3+])c1ccccc1 ZINC000054797628 177532738 /nfs/dbraw/zinc/53/27/38/177532738.db2.gz VGKFTPWOKKBIAB-NSHDSACASA-N 1 0 201.273 1.961 10 0 BDAERO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2O)cnn1C ZINC000086552057 177592290 /nfs/dbraw/zinc/59/22/90/177592290.db2.gz XMCMLEZZDQJDSI-NEPJUHHUSA-N 1 0 223.320 1.122 10 0 BDAERO Cc1cc(CO)cc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000228449516 487649090 /nfs/dbraw/zinc/64/90/90/487649090.db2.gz SVYLKAFYJFLCKA-LBPRGKRZSA-N 1 0 235.331 1.023 10 0 BDAERO CO[C@@H](C[N@@H+]1CCC[C@H]1CCCO)C1CC1 ZINC000400181209 226334669 /nfs/dbraw/zinc/33/46/69/226334669.db2.gz PLZRLHOWWCUUKS-STQMWFEESA-N 1 0 227.348 1.648 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](CCOc2ccccc2)C1 ZINC000401969566 226363952 /nfs/dbraw/zinc/36/39/52/226363952.db2.gz YCKOHCZZPYVAOF-QWHCGFSZSA-N 1 0 235.327 1.768 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cscn1 ZINC000252730704 487657582 /nfs/dbraw/zinc/65/75/82/487657582.db2.gz MLCLGNRCOSENTH-QXFUBDJGSA-N 1 0 212.318 1.707 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000228492523 487662901 /nfs/dbraw/zinc/66/29/01/487662901.db2.gz RVIZNWBLHKDRMX-GARJFASQSA-N 1 0 212.337 1.474 10 0 BDAERO CCN(C)C(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183157945 487669110 /nfs/dbraw/zinc/66/91/10/487669110.db2.gz XWDFZNHTYPFZSK-GHMZBOCLSA-N 1 0 228.336 1.012 10 0 BDAERO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C12CCC2 ZINC000308356897 229228728 /nfs/dbraw/zinc/22/87/28/229228728.db2.gz ZWGSTCWVRMYBFU-IJLUTSLNSA-N 1 0 241.375 1.941 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403320473 229311266 /nfs/dbraw/zinc/31/12/66/229311266.db2.gz JZNOSLPUOAVGQY-CSYMLDBXSA-N 1 0 222.332 1.371 10 0 BDAERO C[C@H](N[C@@H]1CSC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000306919192 229397859 /nfs/dbraw/zinc/39/78/59/229397859.db2.gz AZQFZNSENGEMIW-LPEHRKFASA-N 1 0 214.378 1.611 10 0 BDAERO COC(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398723740 262767559 /nfs/dbraw/zinc/76/75/59/262767559.db2.gz SUQKVBCULAWFLF-QJPTWQEYSA-N 1 0 241.331 1.032 10 0 BDAERO O=C(CC1=CCCCC1)NC[C@H]1CC[NH2+]C1 ZINC000087654912 487675327 /nfs/dbraw/zinc/67/53/27/487675327.db2.gz QRDSWCROMYYVTN-LBPRGKRZSA-N 1 0 222.332 1.603 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccncc1 ZINC000128887087 487679156 /nfs/dbraw/zinc/67/91/56/487679156.db2.gz UCSOSFOHUFLYRU-LLVKDONJSA-N 1 0 221.304 1.071 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)CCOc1ccccc1 ZINC000054074694 487682075 /nfs/dbraw/zinc/68/20/75/487682075.db2.gz KFCBHCDCECJPTD-LLVKDONJSA-N 1 0 236.315 1.132 10 0 BDAERO COc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccn1 ZINC000384084751 487691348 /nfs/dbraw/zinc/69/13/48/487691348.db2.gz UEQWPOVXHJQWKK-RKDXNWHRSA-N 1 0 235.287 1.156 10 0 BDAERO CC[C@]1(C)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000399280090 262781422 /nfs/dbraw/zinc/78/14/22/262781422.db2.gz AUCYTFCDRMKKRO-NQBHXWOUSA-N 1 0 224.348 1.491 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)C1CCOCC1 ZINC000396571934 262806609 /nfs/dbraw/zinc/80/66/09/262806609.db2.gz AWSFAMYQHODNIJ-DMDPSCGWSA-N 1 0 226.364 1.532 10 0 BDAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(C)(C)O ZINC000528755572 262970167 /nfs/dbraw/zinc/97/01/67/262970167.db2.gz KJEAAINNDAZPPM-RGOKHQFPSA-N 1 0 201.310 1.159 10 0 BDAERO CCO[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000226281656 487706772 /nfs/dbraw/zinc/70/67/72/487706772.db2.gz BVCFBCBTTWIKND-QJPTWQEYSA-N 1 0 213.321 1.401 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCNC(=O)C1)C(C)C ZINC000082667474 487714295 /nfs/dbraw/zinc/71/42/95/487714295.db2.gz GONDZRFPPXGJLK-MNOVXSKESA-N 1 0 212.337 1.679 10 0 BDAERO CC[N@@H+]1CC[C@@H](N[C@H](C)c2ncc[nH]2)C1 ZINC000336904280 487728680 /nfs/dbraw/zinc/72/86/80/487728680.db2.gz VTVSONSESVEWLD-NXEZZACHSA-N 1 0 208.309 1.155 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C1CC1)C1CC1 ZINC000088457111 487728474 /nfs/dbraw/zinc/72/84/74/487728474.db2.gz UJDRJRKLOFBZSY-TVQRCGJNSA-N 1 0 238.375 1.912 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCc1ncc(C)s1 ZINC000226405174 487736481 /nfs/dbraw/zinc/73/64/81/487736481.db2.gz CXFGQRLZHLVNPP-QMMMGPOBSA-N 1 0 227.333 1.195 10 0 BDAERO CC(C)n1ncnc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000088591489 487736747 /nfs/dbraw/zinc/73/67/47/487736747.db2.gz PVIJXANRPBIWJH-WDEREUQCSA-N 1 0 238.335 1.252 10 0 BDAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250726446 487739309 /nfs/dbraw/zinc/73/93/09/487739309.db2.gz JMEJUXATZLHKFZ-WRWGMCAJSA-N 1 0 222.332 1.243 10 0 BDAERO O=C(NCC1CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250797834 487741360 /nfs/dbraw/zinc/74/13/60/487741360.db2.gz ATYQPLKLIWXFOC-ZSBIGDGJSA-N 1 0 222.332 1.148 10 0 BDAERO O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251019304 487745265 /nfs/dbraw/zinc/74/52/65/487745265.db2.gz DVNMXZRXRXOXML-YFKTTZPYSA-N 1 0 222.332 1.148 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCc1cnn(C)c1 ZINC000384873672 487752374 /nfs/dbraw/zinc/75/23/74/487752374.db2.gz PFMCTIPUNSWZCT-AAEUAGOBSA-N 1 0 237.347 1.198 10 0 BDAERO C[C@@H]1[C@H](O)CCC[N@@H+]1CCCc1cnn(C)c1 ZINC000384873674 487752384 /nfs/dbraw/zinc/75/23/84/487752384.db2.gz PFMCTIPUNSWZCT-DGCLKSJQSA-N 1 0 237.347 1.198 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CC=CCC1 ZINC000226506651 487754134 /nfs/dbraw/zinc/75/41/34/487754134.db2.gz LPQGBUPMROWHNR-HBNTYKKESA-N 1 0 210.321 1.585 10 0 BDAERO Cc1cccc(CC[N@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000399788036 487754449 /nfs/dbraw/zinc/75/44/49/487754449.db2.gz ORFKLLJIANPAHN-JSGCOSHPSA-N 1 0 234.343 1.778 10 0 BDAERO CCc1csc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000234194873 487770983 /nfs/dbraw/zinc/77/09/83/487770983.db2.gz SQCJSXIKPUXVRD-SECBINFHSA-N 1 0 227.333 1.106 10 0 BDAERO COc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccn1 ZINC000385389699 487784369 /nfs/dbraw/zinc/78/43/69/487784369.db2.gz ZHAQSSPPOFPISK-KOLCDFICSA-N 1 0 249.314 1.404 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000251798421 487797909 /nfs/dbraw/zinc/79/79/09/487797909.db2.gz NUZMNQABMBPWAP-ZIQFBCGOSA-N 1 0 222.332 1.228 10 0 BDAERO CC[C@H]1CN(c2nccnc2C)CC[C@H]1[NH3+] ZINC000251935904 487808395 /nfs/dbraw/zinc/80/83/95/487808395.db2.gz ZSPCFIAFXOCMQU-WDEREUQCSA-N 1 0 220.320 1.349 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000089430658 487814356 /nfs/dbraw/zinc/81/43/56/487814356.db2.gz HHSYETYHIIMPKB-GXSJLCMTSA-N 1 0 244.298 1.974 10 0 BDAERO Cc1ccnc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089450079 487816824 /nfs/dbraw/zinc/81/68/24/487816824.db2.gz HEQLBNJIISOXFH-QWRGUYRKSA-N 1 0 233.315 1.704 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1cccnc1 ZINC000089450163 487817007 /nfs/dbraw/zinc/81/70/07/487817007.db2.gz UBQWBGZNDZDJHI-RYUDHWBXSA-N 1 0 233.315 1.073 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000089450718 487818386 /nfs/dbraw/zinc/81/83/86/487818386.db2.gz HMJUMIIRCMUGLK-QCNOEVLYSA-N 1 0 240.347 1.045 10 0 BDAERO Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089454443 487819124 /nfs/dbraw/zinc/81/91/24/487819124.db2.gz UPFIAEDNJDMIIY-UONOGXRCSA-N 1 0 246.354 1.986 10 0 BDAERO CCOCCN(CC)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089462565 487822403 /nfs/dbraw/zinc/82/24/03/487822403.db2.gz QHRIAIQKXLRZKU-RYUDHWBXSA-N 1 0 242.363 1.246 10 0 BDAERO Cc1ccncc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462406 487822501 /nfs/dbraw/zinc/82/25/01/487822501.db2.gz LRCZILGGRSVRMJ-WDEREUQCSA-N 1 0 233.315 1.704 10 0 BDAERO C[C@@H]1CCCN(c2ccnc(N(C)C)n2)[C@H]1C[NH3+] ZINC000252218841 487822934 /nfs/dbraw/zinc/82/29/34/487822934.db2.gz YMNFTKFQBOYRKO-MNOVXSKESA-N 1 0 249.362 1.106 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1ccc(C)c(O)c1 ZINC000234434264 487826588 /nfs/dbraw/zinc/82/65/88/487826588.db2.gz NFVKJXVWJYYXKQ-SECBINFHSA-N 1 0 222.288 1.038 10 0 BDAERO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252691266 487829317 /nfs/dbraw/zinc/82/93/17/487829317.db2.gz XKQMEYWCWYHACS-WRWGMCAJSA-N 1 0 222.332 1.243 10 0 BDAERO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252686643 487829819 /nfs/dbraw/zinc/82/98/19/487829819.db2.gz JZYKOZMQJRJXEA-GFQSEFKGSA-N 1 0 238.375 1.912 10 0 BDAERO COC(=O)C[C@](C)([NH3+])[C@@H]1CCSC1 ZINC000757153019 586429543 /nfs/dbraw/zinc/42/95/43/586429543.db2.gz GHYICNMEWOGSCS-APPZFPTMSA-N 1 0 203.307 1.020 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000202587778 487838760 /nfs/dbraw/zinc/83/87/60/487838760.db2.gz HQFTTWPKAOKSRO-MFKMUULPSA-N 1 0 240.347 1.901 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCCCC[C@H]1CO ZINC000386314839 487841766 /nfs/dbraw/zinc/84/17/66/487841766.db2.gz MOKKQIMJYXTKLG-STQMWFEESA-N 1 0 226.364 1.318 10 0 BDAERO CC1(C)CC(NC(=O)C2CCC([NH3+])CC2)C1 ZINC000395281039 487849049 /nfs/dbraw/zinc/84/90/49/487849049.db2.gz CFDSFUGDBNXRCD-UHFFFAOYSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000253177749 487856873 /nfs/dbraw/zinc/85/68/73/487856873.db2.gz BGZXGTHRSMLXDS-UJPOAAIJSA-N 1 0 236.359 1.476 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000334163920 487859553 /nfs/dbraw/zinc/85/95/53/487859553.db2.gz YORAEQHAFXERPL-GXFFZTMASA-N 1 0 231.299 1.092 10 0 BDAERO [NH3+]C[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000334163922 487859701 /nfs/dbraw/zinc/85/97/01/487859701.db2.gz YORAEQHAFXERPL-ZWNOBZJWSA-N 1 0 231.299 1.092 10 0 BDAERO CC(C)CCN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309873 487869477 /nfs/dbraw/zinc/86/94/77/487869477.db2.gz HEWDVJDDDNJLAJ-VXGBXAGGSA-N 1 0 226.364 1.866 10 0 BDAERO CC(C)OC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000127592378 322960981 /nfs/dbraw/zinc/96/09/81/322960981.db2.gz HNHNBJBKEOWPIB-NXEZZACHSA-N 1 0 214.309 1.413 10 0 BDAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]CC1(C)CC1 ZINC000309617899 322964073 /nfs/dbraw/zinc/96/40/73/322964073.db2.gz CJFUQPPMVPHTPD-JTQLQIEISA-N 1 0 220.320 1.811 10 0 BDAERO C[C@@H]([NH3+])CCNCc1nc2c(s1)CCCC2 ZINC000666775533 487878248 /nfs/dbraw/zinc/87/82/48/487878248.db2.gz MCMCYRNGMSWKNZ-SECBINFHSA-N 1 0 239.388 1.849 10 0 BDAERO C[C@H](C[N@@H+]1C[C@H](O)C[C@@H]1CO)C(C)(C)C ZINC000670269140 487880058 /nfs/dbraw/zinc/88/00/58/487880058.db2.gz VYDNJPRAGDRGQY-GMTAPVOTSA-N 1 0 215.337 1.096 10 0 BDAERO COc1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000234976073 487898511 /nfs/dbraw/zinc/89/85/11/487898511.db2.gz GQLMFIPLTBERCC-WDEREUQCSA-N 1 0 235.331 1.890 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000668541927 487913248 /nfs/dbraw/zinc/91/32/48/487913248.db2.gz XCXMIPZDWAPPJF-LPEHRKFASA-N 1 0 213.325 1.164 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](C(=O)NCC[C@@H]2CCCO2)C1 ZINC000055089204 487934403 /nfs/dbraw/zinc/93/44/03/487934403.db2.gz HNNMBLPEYNIRGP-UTUOFQBUSA-N 1 0 240.347 1.189 10 0 BDAERO C[C@@H]1OCC[C@H]1C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000235300758 487940930 /nfs/dbraw/zinc/94/09/30/487940930.db2.gz LDKPIVLXBLOUEL-MELADBBJSA-N 1 0 238.375 1.582 10 0 BDAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1C[C@@H]1C ZINC000083863013 487953925 /nfs/dbraw/zinc/95/39/25/487953925.db2.gz KSPADPNIZHMNCZ-GARJFASQSA-N 1 0 212.337 1.522 10 0 BDAERO C[C@H](CC[NH2+]CC1CCOCC1)[S@@](C)=O ZINC000132586001 322969165 /nfs/dbraw/zinc/96/91/65/322969165.db2.gz VLIWMBLUMOOZSB-BMIGLBTASA-N 1 0 233.377 1.160 10 0 BDAERO Cc1nsc(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000561267767 322998412 /nfs/dbraw/zinc/99/84/12/322998412.db2.gz IRYXQPNXWZZEAN-LLVKDONJSA-N 1 0 238.360 1.426 10 0 BDAERO COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000247981211 323015383 /nfs/dbraw/zinc/01/53/83/323015383.db2.gz IIEGUMNNRTVSNN-RWMBFGLXSA-N 1 0 229.364 1.942 10 0 BDAERO C[C@H]1CC[C@H](C(=O)NCC2CC[NH+](C)CC2)O1 ZINC000151453599 323016573 /nfs/dbraw/zinc/01/65/73/323016573.db2.gz HOAONLYJJXHQMJ-CMPLNLGQSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1nnc([C@H](C)N[C@@H](C)[C@H]2CCCO2)o1 ZINC000248567260 323025607 /nfs/dbraw/zinc/02/56/07/323025607.db2.gz FEDKGYFXZKLTAT-OYNCUSHFSA-N 1 0 225.292 1.596 10 0 BDAERO CC(C)N(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000151852026 323030633 /nfs/dbraw/zinc/03/06/33/323030633.db2.gz PAWGRHFZGUEHKJ-VXGBXAGGSA-N 1 0 242.363 1.353 10 0 BDAERO CCn1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)n1 ZINC000302349570 487957283 /nfs/dbraw/zinc/95/72/83/487957283.db2.gz WFHWEEIHNKDXDW-LBPRGKRZSA-N 1 0 236.319 1.374 10 0 BDAERO c1ncn(CC[NH2+][C@@H]2CCCC23CCC3)n1 ZINC000394774106 323108643 /nfs/dbraw/zinc/10/86/43/323108643.db2.gz GUGYSKDUYBZLEM-LLVKDONJSA-N 1 0 220.320 1.591 10 0 BDAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cscn1 ZINC000563451210 323126391 /nfs/dbraw/zinc/12/63/91/323126391.db2.gz MFTJBIKPIIXLJG-IUCAKERBSA-N 1 0 239.344 1.320 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000111716105 323163290 /nfs/dbraw/zinc/16/32/90/323163290.db2.gz AVGJRNGFNAJSET-QWRGUYRKSA-N 1 0 246.358 1.529 10 0 BDAERO C[C@H]1C[N@H+](CCCN2CCOCC2)CCS1 ZINC000075715298 323170592 /nfs/dbraw/zinc/17/05/92/323170592.db2.gz AYBRDWBZKUMHPT-LBPRGKRZSA-N 1 0 244.404 1.146 10 0 BDAERO C[C@H](O)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308566696 323175770 /nfs/dbraw/zinc/17/57/70/323175770.db2.gz YRHVKKQZGVWMPG-VHSXEESVSA-N 1 0 203.326 1.144 10 0 BDAERO CC(C)CC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000391954851 323183607 /nfs/dbraw/zinc/18/36/07/323183607.db2.gz 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ZINC000253360833 490093302 /nfs/dbraw/zinc/09/33/02/490093302.db2.gz BCDRBTWSVZLHKJ-GHMZBOCLSA-N 1 0 235.335 1.052 10 0 BDAERO CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226238179 490124002 /nfs/dbraw/zinc/12/40/02/490124002.db2.gz FCOLVIGQYZAQJD-GMTAPVOTSA-N 1 0 201.310 1.041 10 0 BDAERO Cc1c[nH]nc1[C@@H](C[NH3+])C1(CO)CCCC1 ZINC000536953988 490235649 /nfs/dbraw/zinc/23/56/49/490235649.db2.gz MPXAYMQNVJYANU-SNVBAGLBSA-N 1 0 223.320 1.313 10 0 BDAERO C([C@H]1CC[NH2+]C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000227200715 490241463 /nfs/dbraw/zinc/24/14/63/490241463.db2.gz XNTOFBBFFAAPSX-YNEHKIRRSA-N 1 0 224.348 1.239 10 0 BDAERO CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000124009355 490347512 /nfs/dbraw/zinc/34/75/12/490347512.db2.gz HDHVSAMYZPVSLB-VXGBXAGGSA-N 1 0 237.347 1.376 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]C1CSC1 ZINC000307196021 490655010 /nfs/dbraw/zinc/65/50/10/490655010.db2.gz SKUPUXWDNRXONW-PSASIEDQSA-N 1 0 201.335 1.243 10 0 BDAERO c1nc2ccc(NC3=[NH+]CCN3)cc2s1 ZINC000000022794 491083794 /nfs/dbraw/zinc/08/37/94/491083794.db2.gz HHGPWLAMFCJBAM-UHFFFAOYSA-N 1 0 218.285 1.667 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CCOC1 ZINC000303393969 491114950 /nfs/dbraw/zinc/11/49/50/491114950.db2.gz PARHAHGBCMWXRU-NDBYEHHHSA-N 1 0 227.348 1.695 10 0 BDAERO Cc1nc(C(=O)C(F)F)sc1CC[NH3+] ZINC000757121464 582497102 /nfs/dbraw/zinc/49/71/02/582497102.db2.gz BKELUYJDURZPDM-UHFFFAOYSA-N 1 0 220.244 1.401 10 0 BDAERO C[NH2+]Cc1sc([C@H](O)[C@H]2C[C@@H]2C)nc1C ZINC000757123859 582499013 /nfs/dbraw/zinc/49/90/13/582499013.db2.gz BFVZVDFGVGCXJL-KADJCCMJSA-N 1 0 226.345 1.860 10 0 BDAERO C[C@H](F)CN1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757124961 582500061 /nfs/dbraw/zinc/50/00/61/582500061.db2.gz COTBLQBOZHRQSR-SDDRHHMPSA-N 1 0 214.328 1.951 10 0 BDAERO Cc1nc([C@H](O)[C@@H]2C[C@@H]2C)sc1C[NH3+] ZINC000757126931 582501680 /nfs/dbraw/zinc/50/16/80/582501680.db2.gz HXSINOUOFHSVAK-MTQIGAJGSA-N 1 0 212.318 1.600 10 0 BDAERO C1CC1[C@@H]1CC[NH2+][C@@]2(CCCOCC2)O1 ZINC000757143631 582523996 /nfs/dbraw/zinc/52/39/96/582523996.db2.gz DULHHCWSRCMSGH-RYUDHWBXSA-N 1 0 211.305 1.672 10 0 BDAERO C[C@@H]1[NH2+]C2(CCSCC2)OCC12CC2 ZINC000757145921 582528399 /nfs/dbraw/zinc/52/83/99/582528399.db2.gz PNZQMSBXUZFHOC-VIFPVBQESA-N 1 0 213.346 1.998 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757147397 582531522 /nfs/dbraw/zinc/53/15/22/582531522.db2.gz BNMPXLGWTVOHBZ-WDEREUQCSA-N 1 0 248.392 1.176 10 0 BDAERO CC(C)c1cc(N2CC[C@H]2C[NH3+])ncn1 ZINC000757150267 582534192 /nfs/dbraw/zinc/53/41/92/582534192.db2.gz PAMYHVYRJCCEFU-VIFPVBQESA-N 1 0 206.293 1.137 10 0 BDAERO CCCN(CCC)S(=O)(=O)C[C@H]([NH3+])CC ZINC000757152457 582536903 /nfs/dbraw/zinc/53/69/03/582536903.db2.gz MAGUDIGSOGOKQM-SNVBAGLBSA-N 1 0 236.381 1.176 10 0 BDAERO C[C@@H]1C[NH+]=C(N)N[C@H]1c1ccccc1F ZINC000235268140 582536951 /nfs/dbraw/zinc/53/69/51/582536951.db2.gz BEDQDSGVWKPQQA-GMSGAONNSA-N 1 0 207.252 1.421 10 0 BDAERO CCN(CC)S(=O)(=O)C[C@H]([NH3+])CC(C)C ZINC000757153132 582536952 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/nfs/dbraw/zinc/18/02/11/529180211.db2.gz ZUPQBFVRUWOWMR-UWVGGRQHSA-N 1 0 203.351 1.442 10 0 BDAERO CC(C)[C@H](C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000179204660 534928367 /nfs/dbraw/zinc/92/83/67/534928367.db2.gz FHXHHEGJLKGDHV-ZJUUUORDSA-N 1 0 200.326 1.474 10 0 BDAERO CCCN1C[C@@H](C2=[NH+]CCN2)Oc2ccccc21 ZINC000013518831 534963697 /nfs/dbraw/zinc/96/36/97/534963697.db2.gz PAQQKLNYFIWNPQ-ZDUSSCGKSA-N 1 0 245.326 1.666 10 0 BDAERO CC(C)[C@H](C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000019397459 534991234 /nfs/dbraw/zinc/99/12/34/534991234.db2.gz UMQRJOWTJHIZAU-ZDUSSCGKSA-N 1 0 248.374 1.187 10 0 BDAERO CCC(CC)[C@H](CNC1COC1)[NH+](C)C ZINC000087596688 535144808 /nfs/dbraw/zinc/14/48/08/535144808.db2.gz NHCBTCLRAPWKGV-LBPRGKRZSA-N 1 0 214.353 1.341 10 0 BDAERO CC(C)([NH3+])C(=O)N1CCSc2ccccc21 ZINC000040925533 535195726 /nfs/dbraw/zinc/19/57/26/535195726.db2.gz FZBLERHSSXUVSS-UHFFFAOYSA-N 1 0 236.340 1.863 10 0 BDAERO CC(C)(O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250365019 535286080 /nfs/dbraw/zinc/28/60/80/535286080.db2.gz NAHAVNZINODJEC-JSGCOSHPSA-N 1 0 241.375 1.774 10 0 BDAERO CC1(C)CC[C@@H](C[N@@H+]2CC[C@@H](CCO)C2)O1 ZINC000226064109 535320227 /nfs/dbraw/zinc/32/02/27/535320227.db2.gz NUSPFKXGODTBGQ-RYUDHWBXSA-N 1 0 227.348 1.648 10 0 BDAERO CCCc1cc(N2CC[NH2+][C@@H](C)C2)ncn1 ZINC000052783543 535399765 /nfs/dbraw/zinc/39/97/65/535399765.db2.gz WUXPOMYQQFWUFV-JTQLQIEISA-N 1 0 220.320 1.227 10 0 BDAERO CC[NH2+]C1CCN(c2ccc(C)nn2)CC1 ZINC000041044948 535453216 /nfs/dbraw/zinc/45/32/16/535453216.db2.gz FHISNJJBGRMVDI-UHFFFAOYSA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+][C@H](C)C1CCN(c2nccc(C)n2)CC1 ZINC000104407874 535508405 /nfs/dbraw/zinc/50/84/05/535508405.db2.gz BEDRWSJNSCZLTP-GFCCVEGCSA-N 1 0 248.374 1.999 10 0 BDAERO CCN1CCC[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000220879421 535538586 /nfs/dbraw/zinc/53/85/86/535538586.db2.gz MBFAVROEPIWONI-VOMCLLRMSA-N 1 0 212.337 1.238 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1CCC1 ZINC000177025916 535546168 /nfs/dbraw/zinc/54/61/68/535546168.db2.gz CMPMYIIUXQCXPF-GFCCVEGCSA-N 1 0 224.348 1.729 10 0 BDAERO CCN1CCC[C@@H]1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000226249971 535547125 /nfs/dbraw/zinc/54/71/25/535547125.db2.gz AGUNDPCYFMSVMB-MGPQQGTHSA-N 1 0 240.391 1.706 10 0 BDAERO CCOCC[N@H+](CC)[C@H]1CCCCNC1=O ZINC000157609497 535586914 /nfs/dbraw/zinc/58/69/14/535586914.db2.gz WZDPFUOQSULIKW-NSHDSACASA-N 1 0 228.336 1.014 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CC[C@H](C)O ZINC000252576738 535590316 /nfs/dbraw/zinc/59/03/16/535590316.db2.gz INBMJTNSDAEHAN-RYUDHWBXSA-N 1 0 214.353 1.173 10 0 BDAERO CCO[C@H]1CCCN(c2cc[nH+]cc2N)C1 ZINC000042421289 535621328 /nfs/dbraw/zinc/62/13/28/535621328.db2.gz MRFNPTQQLNHVII-JTQLQIEISA-N 1 0 221.304 1.669 10 0 BDAERO CCOC(=O)[C@H](CC)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000251212912 535649257 /nfs/dbraw/zinc/64/92/57/535649257.db2.gz DSNWMYZAGFCZQT-SRVKXCTJSA-N 1 0 242.363 1.210 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000262107499 535678826 /nfs/dbraw/zinc/67/88/26/535678826.db2.gz GBYJAEBMLFSNCV-YTWAJWBKSA-N 1 0 242.363 1.290 10 0 BDAERO CCC[C@](C)([NH3+])C(=O)N1CCOC2(CCC2)C1 ZINC000262720414 535758332 /nfs/dbraw/zinc/75/83/32/535758332.db2.gz YXMBBRILGGUTEF-LBPRGKRZSA-N 1 0 240.347 1.285 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000249095519 535844732 /nfs/dbraw/zinc/84/47/32/535844732.db2.gz IHRRZDZWAXUNJG-STQMWFEESA-N 1 0 237.347 1.718 10 0 BDAERO C[NH+](C)CCN1CCCc2cccc(N)c21 ZINC000042138154 535873001 /nfs/dbraw/zinc/87/30/01/535873001.db2.gz RVYSQTQTUFLLQN-UHFFFAOYSA-N 1 0 219.332 1.583 10 0 BDAERO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261558110 535931058 /nfs/dbraw/zinc/93/10/58/535931058.db2.gz XVIHCNDVGKJVHX-CKYFFXLPSA-N 1 0 210.321 1.148 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000119395885 536003380 /nfs/dbraw/zinc/00/33/80/536003380.db2.gz NJPHYHFVWQZUQO-CQSZACIVSA-N 1 0 249.358 1.365 10 0 BDAERO CCn1cc(C[N@H+](C)[C@H]2CCC[C@@H]2O)cn1 ZINC000348551802 536045878 /nfs/dbraw/zinc/04/58/78/536045878.db2.gz UZHKWPKWGMRDLG-RYUDHWBXSA-N 1 0 223.320 1.248 10 0 BDAERO CCn1cccc1C[NH2+]CCc1ccn(C)n1 ZINC000227224236 536102617 /nfs/dbraw/zinc/10/26/17/536102617.db2.gz FFGBDBMINWLMBF-UHFFFAOYSA-N 1 0 232.331 1.574 10 0 BDAERO CCc1cc(N2CC[NH2+]CC2)nc(C(C)C)n1 ZINC000045950732 536146569 /nfs/dbraw/zinc/14/65/69/536146569.db2.gz KFHRTOCUQCGSJH-UHFFFAOYSA-N 1 0 234.347 1.572 10 0 BDAERO CC[C@H]1CO[C@H](C)CN1c1cccc(C[NH3+])n1 ZINC000051397957 536171754 /nfs/dbraw/zinc/17/17/54/536171754.db2.gz KGLWCFODCUFIGW-PWSUYJOCSA-N 1 0 235.331 1.544 10 0 BDAERO CC[C@H]1CO[C@H](C)CN1c1ccc(C[NH2+]C)cn1 ZINC000051518719 536171793 /nfs/dbraw/zinc/17/17/93/536171793.db2.gz XSALCUQQGYGFLF-YPMHNXCESA-N 1 0 249.358 1.805 10 0 BDAERO CN(CC[NH2+]C(C)(C)C)CC1CC(O)C1 ZINC000084452847 536385851 /nfs/dbraw/zinc/38/58/51/536385851.db2.gz CEDSEOPJILCFFF-UHFFFAOYSA-N 1 0 214.353 1.077 10 0 BDAERO C[NH2+][C@H](C)C1CCN(c2nccc(C)n2)CC1 ZINC000104428218 536388556 /nfs/dbraw/zinc/38/85/56/536388556.db2.gz XFGVSPIKQVSTLX-LLVKDONJSA-N 1 0 234.347 1.609 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCSc2ccccc21 ZINC000052395761 536389171 /nfs/dbraw/zinc/38/91/71/536389171.db2.gz HKFCHGZYAPKIHV-SECBINFHSA-N 1 0 236.340 1.733 10 0 BDAERO C[NH2+][C@H]1CCCN(c2ccnc3cccnc32)C1 ZINC000341036510 536415291 /nfs/dbraw/zinc/41/52/91/536415291.db2.gz QDSHABFBTPHHGR-NSHDSACASA-N 1 0 242.326 1.818 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000223535476 536877163 /nfs/dbraw/zinc/87/71/63/536877163.db2.gz MSFGDMNXRIEWJG-IVZWLZJFSA-N 1 0 203.326 1.406 10 0 BDAERO COc1ccccc1N1CCC[C@@H]([NH3+])C1=O ZINC000068575472 537062128 /nfs/dbraw/zinc/06/21/28/537062128.db2.gz USOYCZDVOSHASX-SECBINFHSA-N 1 0 220.272 1.149 10 0 BDAERO O=C1[C@H]([C@@H]2CCC[NH2+]2)COC12CCCC2 ZINC000725257048 538059524 /nfs/dbraw/zinc/05/95/24/538059524.db2.gz HAXNPRWBMFEZFE-UWVGGRQHSA-N 1 0 209.289 1.267 10 0 BDAERO CC[C@@H](C)Cn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257603 538067842 /nfs/dbraw/zinc/06/78/42/538067842.db2.gz SXUJOQOKDORIQH-SECBINFHSA-N 1 0 248.334 1.183 10 0 BDAERO C[C@@H](C(=O)N1CCC2(C[NH2+]C2)C1)C(C)(C)C ZINC000675053010 566411989 /nfs/dbraw/zinc/41/19/89/566411989.db2.gz DLJAXUXBGOJWCU-JTQLQIEISA-N 1 0 224.348 1.491 10 0 BDAERO CC(=O)N1CC[C@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000083112428 566439754 /nfs/dbraw/zinc/43/97/54/566439754.db2.gz CRNHHFGBGDOHBW-OLZOCXBDSA-N 1 0 236.290 1.489 10 0 BDAERO [NH3+]Cc1cc(Cl)nc(N2CCCC2)c1 ZINC000258099574 566476169 /nfs/dbraw/zinc/47/61/69/566476169.db2.gz NSGDXBBEUCZKLE-UHFFFAOYSA-N 1 0 211.696 1.794 10 0 BDAERO c1csc([C@H]2CCNC3=[NH+]CCN32)c1 ZINC000232480341 566490444 /nfs/dbraw/zinc/49/04/44/566490444.db2.gz MCVKXBITWZXPED-MRVPVSSYSA-N 1 0 207.302 1.454 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000395937789 583073578 /nfs/dbraw/zinc/07/35/78/583073578.db2.gz CZBPWAUTRDGHNZ-WDEREUQCSA-N 1 0 241.379 1.720 10 0 BDAERO CC(C)(C)OC(=O)N1[C@H](C[NH3+])C[C@H]2OCC[C@@H]21 ZINC000757122927 582497655 /nfs/dbraw/zinc/49/76/55/582497655.db2.gz OIMPGVGLMDMDKP-LPEHRKFASA-N 1 0 242.319 1.112 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@]12CCCN2CC(F)F ZINC000757125505 582500651 /nfs/dbraw/zinc/50/06/51/582500651.db2.gz DXAGCRISPUIYPV-ONGXEEELSA-N 1 0 218.291 1.858 10 0 BDAERO CC(C)(C)C(=O)c1nc(CC[NH3+])cs1 ZINC000757127105 582501855 /nfs/dbraw/zinc/50/18/55/582501855.db2.gz XOFYWLNEHUEOEY-UHFFFAOYSA-N 1 0 212.318 1.873 10 0 BDAERO CC(C)CC(=O)c1nc(CC[NH3+])cs1 ZINC000757127246 582501899 /nfs/dbraw/zinc/50/18/99/582501899.db2.gz YESVHZODXNLDCY-UHFFFAOYSA-N 1 0 212.318 1.873 10 0 BDAERO C[C@@H]1C[C@H]1[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757133372 582509917 /nfs/dbraw/zinc/50/99/17/582509917.db2.gz VTYRMXIOUXBBRG-FTLITQJKSA-N 1 0 212.318 1.334 10 0 BDAERO CCOC[C@@H](O)c1nc(C)c(C[NH2+]C)s1 ZINC000757134986 582513881 /nfs/dbraw/zinc/51/38/81/582513881.db2.gz ZPSSFZNGAULOSU-MRVPVSSYSA-N 1 0 230.333 1.241 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1[C@@H]2CCCC[NH2+]C[C@H]21 ZINC000757136404 582515596 /nfs/dbraw/zinc/51/55/96/582515596.db2.gz FILVSSIFFOJLDV-GMTAPVOTSA-N 1 0 225.332 1.964 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCCC[NH2+]C[C@H]12 ZINC000757136392 582515710 /nfs/dbraw/zinc/51/57/10/582515710.db2.gz FILVSSIFFOJLDV-GARJFASQSA-N 1 0 225.332 1.964 10 0 BDAERO C[C@H]1[NH2+][C@@]2(CCCSC2)OCC12CC2 ZINC000757138308 582517059 /nfs/dbraw/zinc/51/70/59/582517059.db2.gz BHRHVFUBAGKTID-KOLCDFICSA-N 1 0 213.346 1.998 10 0 BDAERO C1C[C@@]2(CO1)CC[NH2+][C@@]1(CCCSC1)O2 ZINC000757138848 582518422 /nfs/dbraw/zinc/51/84/22/582518422.db2.gz DVNMIXQSKIZJHW-MNOVXSKESA-N 1 0 229.345 1.379 10 0 BDAERO CN1CC[C@]2(C1)[NH2+][C@H](c1ccccc1)CCO2 ZINC000757139008 582518887 /nfs/dbraw/zinc/51/88/87/582518887.db2.gz CRONFAWYCWWEFN-KBPBESRZSA-N 1 0 232.327 1.769 10 0 BDAERO C1C[C@H]2C[NH2+]C3(CCSCC3)O[C@H]2C1 ZINC000757140265 582520488 /nfs/dbraw/zinc/52/04/88/582520488.db2.gz JHIKRZHJPWPETQ-UWVGGRQHSA-N 1 0 213.346 1.998 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ncc(Cl)cc1F ZINC000757140795 582521485 /nfs/dbraw/zinc/52/14/85/582521485.db2.gz CNQPXMZDBOVUOQ-SSDOTTSWSA-N 1 0 215.659 1.412 10 0 BDAERO C1CC1[C@H]1CC[NH2+][C@@]2(CCCSC2)O1 ZINC000757141164 582521500 /nfs/dbraw/zinc/52/15/00/582521500.db2.gz CINMOUIYTFGRML-MNOVXSKESA-N 1 0 213.346 1.998 10 0 BDAERO FC(F)[C@@H]1CC[NH2+][C@]2(CCCSC2)O1 ZINC000757143583 582523937 /nfs/dbraw/zinc/52/39/37/582523937.db2.gz MBKFVGOQRFWSFD-IONNQARKSA-N 1 0 223.288 1.853 10 0 BDAERO CC1(C)C[NH2+][C@]2(CCOC2)O[C@@]12CCCOC2 ZINC000757145467 582528122 /nfs/dbraw/zinc/52/81/22/582528122.db2.gz PDVNSHMPXWRYFH-CHWSQXEVSA-N 1 0 241.331 1.298 10 0 BDAERO C[C@@H]1O[C@]2(CCCOCC2)[NH2+]CC1(C)C ZINC000757146168 582529768 /nfs/dbraw/zinc/52/97/68/582529768.db2.gz JNONVLALERREQN-JQWIXIFHSA-N 1 0 213.321 1.918 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1ccncc1Br ZINC000757146478 582530503 /nfs/dbraw/zinc/53/05/03/582530503.db2.gz NWJLCJGJDNHSAU-ZETCQYMHSA-N 1 0 242.120 1.382 10 0 BDAERO C1C[C@@]2(C[NH2+]1)NCC1(CCCCC1)CO2 ZINC000757147247 582531503 /nfs/dbraw/zinc/53/15/03/582531503.db2.gz LIRXPVXAXLTSBK-GFCCVEGCSA-N 1 0 210.321 1.246 10 0 BDAERO C[C@H]1CCOC2(CC(CF)(CF)C2)[NH2+]1 ZINC000757150221 582534155 /nfs/dbraw/zinc/53/41/55/582534155.db2.gz QHBQTIRSDSYMBX-QMMMGPOBSA-N 1 0 205.248 1.800 10 0 BDAERO C1C[C@@]2(C[NH2+]1)NC1(CCCCC1)CCO2 ZINC000757152501 582536851 /nfs/dbraw/zinc/53/68/51/582536851.db2.gz SNYRZLPHZBTQRU-GFCCVEGCSA-N 1 0 210.321 1.389 10 0 BDAERO CC(C)[C@H]1N[C@@]2(CCC[NH2+]C2)OCC1(C)C ZINC000757153427 582537241 /nfs/dbraw/zinc/53/72/41/582537241.db2.gz VQRREAZVNBFIDO-YPMHNXCESA-N 1 0 226.364 1.737 10 0 BDAERO [NH3+]C[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC000757155938 582539942 /nfs/dbraw/zinc/53/99/42/582539942.db2.gz JDRQYOSDJRNKNY-BDAKNGLRSA-N 1 0 204.264 1.455 10 0 BDAERO Cc1cc(C[C@@](C)(O)C[NH3+])ccc1Cl ZINC000757158013 582540555 /nfs/dbraw/zinc/54/05/55/582540555.db2.gz NBQIQMKHWKBTQU-LLVKDONJSA-N 1 0 213.708 1.901 10 0 BDAERO Cc1cc(CS(=O)(=O)CC[NH3+])ccc1Cl ZINC000757156566 582540741 /nfs/dbraw/zinc/54/07/41/582540741.db2.gz IZLMSADLSSIBNL-UHFFFAOYSA-N 1 0 247.747 1.522 10 0 BDAERO [NH3+][C@@H](CO)CCSCc1ccc(Cl)o1 ZINC000757165534 582546386 /nfs/dbraw/zinc/54/63/86/582546386.db2.gz LXTWGYDAFGTHDK-SSDOTTSWSA-N 1 0 235.736 1.876 10 0 BDAERO CCc1ccc(CS[C@@H](C)[C@H](O)C[NH3+])o1 ZINC000757168752 582550090 /nfs/dbraw/zinc/55/00/90/582550090.db2.gz CXGOCYRUYBMWCC-GZMMTYOYSA-N 1 0 229.345 1.783 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(N)cc1 ZINC000757185383 582554745 /nfs/dbraw/zinc/55/47/45/582554745.db2.gz TXGSXMZPYCAJHO-RYUDHWBXSA-N 1 0 234.299 1.135 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccco1 ZINC000757188092 582555343 /nfs/dbraw/zinc/55/53/43/582555343.db2.gz JSIIWQJNINCVIH-UWVGGRQHSA-N 1 0 237.299 1.924 10 0 BDAERO CC(=O)c1cccc([C@@H]2NCC[C@@H](C)[C@@H]2[NH3+])c1 ZINC000757209841 582560040 /nfs/dbraw/zinc/56/00/40/582560040.db2.gz DBGXRVRFCXUMTL-IIMNLJJBSA-N 1 0 232.327 1.887 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@@H]2c2cccnc2)N1 ZINC000235694613 582603464 /nfs/dbraw/zinc/60/34/64/582603464.db2.gz YVZRKXZMJVZWRT-GXSJLCMTSA-N 1 0 216.288 1.176 10 0 BDAERO Cc1ccccc1[C@H]1CCNC2=[NH+]CCN21 ZINC000235780192 582609238 /nfs/dbraw/zinc/60/92/38/582609238.db2.gz CKYRBYCAIZWTAA-GFCCVEGCSA-N 1 0 215.300 1.701 10 0 BDAERO Cc1cnn2c1NCC[C@H]2[C@@H]1CCC[NH2+]C1 ZINC000235971282 582633157 /nfs/dbraw/zinc/63/31/57/582633157.db2.gz SNPBPTABPUIHHN-MNOVXSKESA-N 1 0 220.320 1.548 10 0 BDAERO Cc1cn2c([nH+]1)N[C@H](c1ccnn1C)CC2 ZINC000236044372 582636985 /nfs/dbraw/zinc/63/69/85/582636985.db2.gz RKFYFAWALACLOZ-VIFPVBQESA-N 1 0 217.276 1.482 10 0 BDAERO CC(C)n1cccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000121447204 582840936 /nfs/dbraw/zinc/84/09/36/582840936.db2.gz OMXMFFLQQOKIGD-GFCCVEGCSA-N 1 0 249.358 1.845 10 0 BDAERO [NH2+]=C(Cc1cccc(Cl)c1F)NO ZINC000114679639 588879349 /nfs/dbraw/zinc/87/93/49/588879349.db2.gz MWKVBJTVGPBLQX-UHFFFAOYSA-N 1 0 202.616 1.978 10 0 BDAERO C[C@H](C(=O)N1CC[C@H](CC[NH3+])C1)C(C)(C)C ZINC000399012464 583169458 /nfs/dbraw/zinc/16/94/58/583169458.db2.gz AJZFDVNUUROMSB-MNOVXSKESA-N 1 0 226.364 1.866 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000379948209 584882991 /nfs/dbraw/zinc/88/29/91/584882991.db2.gz RVHQSAAZNXSOJS-YYJSSNLHSA-N 1 0 212.337 1.094 10 0 BDAERO COC(=O)C[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000097430466 584932340 /nfs/dbraw/zinc/93/23/40/584932340.db2.gz FGENCGHSZYJFTR-NSHDSACASA-N 1 0 235.283 1.227 10 0 BDAERO NC(=O)c1ccc(-c2[nH+]ccc(N)c2N)cc1 ZINC000757573767 586382549 /nfs/dbraw/zinc/38/25/49/586382549.db2.gz YNUYIHLJPDEQTB-UHFFFAOYSA-N 1 0 228.255 1.012 10 0 BDAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H]([NH3+])[C@H]21 ZINC000756957835 586420956 /nfs/dbraw/zinc/42/09/56/586420956.db2.gz DMBGWVCELMTFCO-UTLUCORTSA-N 1 0 226.320 1.733 10 0 BDAERO C[NH2+]Cc1sc([C@@H](O)[C@H](C)OC)nc1C ZINC000757129742 586426278 /nfs/dbraw/zinc/42/62/78/586426278.db2.gz NZEBSJCSUKHAAR-CBAPKCEASA-N 1 0 230.333 1.239 10 0 BDAERO Cc1nc([C@H](O)CC(C)C)sc1C[NH3+] ZINC000757127556 586425937 /nfs/dbraw/zinc/42/59/37/586425937.db2.gz JIINGUDALJYNOU-MRVPVSSYSA-N 1 0 214.334 1.990 10 0 BDAERO [NH3+]Cc1nnn(C2CC2)c1-c1ccncc1 ZINC000757138055 586427138 /nfs/dbraw/zinc/42/71/38/586427138.db2.gz RGNCJHCEWZRHBK-UHFFFAOYSA-N 1 0 215.260 1.134 10 0 BDAERO c1ccc([C@@H]2CCO[C@@]3(CC[NH2+]C3)N2)cc1 ZINC000757139664 586427862 /nfs/dbraw/zinc/42/78/62/586427862.db2.gz IPGSYUYJIYFANZ-QWHCGFSZSA-N 1 0 218.300 1.427 10 0 BDAERO CCCN(C)S(=O)(=O)C[C@H]([NH3+])C1CCCC1 ZINC000757149508 586428853 /nfs/dbraw/zinc/42/88/53/586428853.db2.gz CYCURZMSFGGZLC-NSHDSACASA-N 1 0 248.392 1.176 10 0 BDAERO CC[C@H]1CC[NH2+][C@]2(CCCSC2)O1 ZINC000757149616 586429134 /nfs/dbraw/zinc/42/91/34/586429134.db2.gz WRXDSGDCNYRPRA-VHSXEESVSA-N 1 0 201.335 1.998 10 0 BDAERO CN1CC[C@]2(C1)[NH2+][C@@H](Cc1ccccc1)CCO2 ZINC000757146403 586429180 /nfs/dbraw/zinc/42/91/80/586429180.db2.gz KTGVEDRQHGVFMZ-CABCVRRESA-N 1 0 246.354 1.639 10 0 BDAERO CCC[C@@H]1CC[NH2+][C@@]2(CN3CCC2CC3)O1 ZINC000757152854 586429496 /nfs/dbraw/zinc/42/94/96/586429496.db2.gz UGUJXTWYWCXLPW-OLZOCXBDSA-N 1 0 224.348 1.587 10 0 BDAERO COC(=O)C1(c2cc(C)cc(C)c2)CC([NH3+])C1 ZINC000757178537 586433764 /nfs/dbraw/zinc/43/37/64/586433764.db2.gz YPSYXHGZPKOPIE-UHFFFAOYSA-N 1 0 233.311 1.835 10 0 BDAERO Cc1nn(-c2cc(C)nc(C)n2)cc1C[NH3+] ZINC000757190328 586435458 /nfs/dbraw/zinc/43/54/58/586435458.db2.gz KEDYOTIZMCIRLU-UHFFFAOYSA-N 1 0 217.276 1.046 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(Cl)ccn1 ZINC000757190158 586435506 /nfs/dbraw/zinc/43/55/06/586435506.db2.gz PVJVGGZEMOFADZ-DTWKUNHWSA-N 1 0 240.690 1.211 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)o1 ZINC000757191333 586435607 /nfs/dbraw/zinc/43/56/07/586435607.db2.gz UHXZTBSUDHNKDY-NKWVEPMBSA-N 1 0 229.663 1.409 10 0 BDAERO [NH3+]C[C@@H]1CC[NH2+][C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757208643 586437672 /nfs/dbraw/zinc/43/76/72/586437672.db2.gz AKAGHPRTAIRORE-SKDRFNHKSA-N 1 0 234.299 1.384 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)c1 ZINC000757207788 586438060 /nfs/dbraw/zinc/43/80/60/586438060.db2.gz BVRLHPMTYRLSGC-NEPJUHHUSA-N 1 0 234.299 1.066 10 0 BDAERO Cn1nncc1-c1ccc2c(c1)CC[NH2+]C2 ZINC000757211141 586438761 /nfs/dbraw/zinc/43/87/61/586438761.db2.gz JVKDUHJJSHIBHG-UHFFFAOYSA-N 1 0 214.272 1.128 10 0 BDAERO CC(=O)c1cccc([C@@H]2CC[C@H](CN)[NH2+]C2)c1 ZINC000757212327 586439340 /nfs/dbraw/zinc/43/93/40/586439340.db2.gz ICMAVXGLQOLMFT-ZIAGYGMSSA-N 1 0 232.327 1.684 10 0 BDAERO COC(=O)[C@H]1CC[NH2+][C@@H](c2cccc(C=O)c2)C1 ZINC000757212313 586439507 /nfs/dbraw/zinc/43/95/07/586439507.db2.gz HZWNDWUVEPJJFW-QWHCGFSZSA-N 1 0 247.294 1.713 10 0 BDAERO [NH3+][C@@H]1CCCN[C@@H]1c1ccc(C=O)s1 ZINC000757213069 586439596 /nfs/dbraw/zinc/43/95/96/586439596.db2.gz KSXGGGSFEFLJLI-SCZZXKLOSA-N 1 0 210.302 1.312 10 0 BDAERO CCOC(=O)[C@H]1CC[C@@H](CC(C)C)[NH2+]C1 ZINC000757215301 586440728 /nfs/dbraw/zinc/44/07/28/586440728.db2.gz MYAYVSLVHWPJQM-QWRGUYRKSA-N 1 0 213.321 1.964 10 0 BDAERO CCOC(=O)[C@@H]1CCC[NH2+][C@H]1c1cccc(N)c1 ZINC000757217136 586441350 /nfs/dbraw/zinc/44/13/50/586441350.db2.gz RFWJFLUUPUMVHZ-OLZOCXBDSA-N 1 0 248.326 1.873 10 0 BDAERO [NH3+]Cc1cccc([C@H]2C[C@@H](C(=O)[O-])CC[NH2+]2)c1 ZINC000757219324 586442350 /nfs/dbraw/zinc/44/23/50/586442350.db2.gz WVBVZWCIEBWIGF-NWDGAFQWSA-N 1 0 234.299 1.271 10 0 BDAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](c2cnn(C(C)(C)C)c2)N1 ZINC000757228620 586442665 /nfs/dbraw/zinc/44/26/65/586442665.db2.gz DFAPWTAFLNKXTF-ADEWGFFLSA-N 1 0 236.363 1.778 10 0 BDAERO Cc1sc([C@H]2NCCC[C@H]2[NH3+])cc1C(=O)[O-] ZINC000757227460 586442715 /nfs/dbraw/zinc/44/27/15/586442715.db2.gz BVWUSTIEMRRVIF-SCZZXKLOSA-N 1 0 240.328 1.507 10 0 BDAERO Cc1sc([C@H]2C[NH2+]C[C@@H]([NH3+])C2)cc1C(=O)[O-] ZINC000757231251 586443005 /nfs/dbraw/zinc/44/30/05/586443005.db2.gz HJESKODEAQBJCP-SFYZADRCSA-N 1 0 240.328 1.159 10 0 BDAERO CC(C)(C)n1cc([C@@H]2C[C@H]([NH3+])CCN2)cn1 ZINC000757238555 586444064 /nfs/dbraw/zinc/44/40/64/586444064.db2.gz SSGNZIXWFJEPNP-MNOVXSKESA-N 1 0 222.336 1.390 10 0 BDAERO CCOCC[N@@H+]1CCN(C/C=C/Cl)C[C@@H]1C ZINC000105914325 588229436 /nfs/dbraw/zinc/22/94/36/588229436.db2.gz XKOCKOUOXSSMSC-ITKZLYELSA-N 1 0 246.782 1.782 10 0 BDAERO C[NH+]1CCC(=CC(=O)OC(C)(C)C)CC1 ZINC000107246821 588344765 /nfs/dbraw/zinc/34/47/65/588344765.db2.gz UADZESDXVJWWSA-UHFFFAOYSA-N 1 0 211.305 1.980 10 0 BDAERO Cc1nn(C2CCCCC2)cc1C(N)=[NH2+] ZINC000107377652 588355948 /nfs/dbraw/zinc/35/59/48/588355948.db2.gz DJCNXJPNIWJFRS-UHFFFAOYSA-N 1 0 206.293 1.981 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(C[C@H]2CCCO2)no1 ZINC000109495550 588563689 /nfs/dbraw/zinc/56/36/89/588563689.db2.gz CDOFYXXJMJLCOQ-ZJUUUORDSA-N 1 0 239.319 1.317 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ncccn2)no1 ZINC000109505293 588563940 /nfs/dbraw/zinc/56/39/40/588563940.db2.gz JQZSNTBERXNIOE-MRVPVSSYSA-N 1 0 233.275 1.052 10 0 BDAERO [NH3+][C@@H](Cc1nc(Cc2ccncc2)no1)C1CC1 ZINC000109509003 588564632 /nfs/dbraw/zinc/56/46/32/588564632.db2.gz QXBNTNMPEATEPU-NSHDSACASA-N 1 0 244.298 1.335 10 0 BDAERO Cc1cc(N2CCS[C@@H](C)C2)nc(N)[nH+]1 ZINC000122505583 589595336 /nfs/dbraw/zinc/59/53/36/589595336.db2.gz VSWHBECZPXKGQG-QMMMGPOBSA-N 1 0 224.333 1.309 10 0 BDAERO [NH3+][C@@H](CC(=O)N[C@H]1COc2ccccc21)C1CC1 ZINC000124060209 589919254 /nfs/dbraw/zinc/91/92/54/589919254.db2.gz QHEYOWCFPIZZOC-RYUDHWBXSA-N 1 0 246.310 1.364 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc(OC)ccc1OC ZINC000019784034 589978866 /nfs/dbraw/zinc/97/88/66/589978866.db2.gz AQVVTWZXHOOIAA-JTQLQIEISA-N 1 0 239.271 1.267 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+]CCc1ccccc1 ZINC000020306448 590097646 /nfs/dbraw/zinc/09/76/46/590097646.db2.gz CDTOYEQKULVVBS-NSHDSACASA-N 1 0 220.316 1.343 10 0 BDAERO [NH3+]C[C@@H]1CCCN1CC(F)(F)C(F)F ZINC000020518744 590117496 /nfs/dbraw/zinc/11/74/96/590117496.db2.gz IOOBYMLBBMXYHA-LURJTMIESA-N 1 0 214.206 1.310 10 0 BDAERO CCCN(c1cncc(Cl)n1)[C@H]1CC[NH2+]C1 ZINC000126481070 590319929 /nfs/dbraw/zinc/31/99/29/590319929.db2.gz RIUHOXPNKRTQIW-VIFPVBQESA-N 1 0 240.738 1.708 10 0 BDAERO CCCNC(=S)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000128941399 591192008 /nfs/dbraw/zinc/19/20/08/591192008.db2.gz LHFLRYUVRBFZLE-LLVKDONJSA-N 1 0 243.420 1.687 10 0 BDAERO C[C@H]([NH3+])CN(C)c1nc2c(cccc2F)o1 ZINC000212549733 591414127 /nfs/dbraw/zinc/41/41/27/591414127.db2.gz HXGNANZNLVSYJX-ZETCQYMHSA-N 1 0 223.251 1.750 10 0 BDAERO CO[C@H](c1noc([C@@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000131980989 591682632 /nfs/dbraw/zinc/68/26/32/591682632.db2.gz QLSXRCPFTIRTOC-ZJUUUORDSA-N 1 0 237.303 1.634 10 0 BDAERO COCC[C@@](C)(O)C[NH2+]CCc1ccccc1 ZINC000221116947 592397174 /nfs/dbraw/zinc/39/71/74/592397174.db2.gz YCEKZXZDLDLPIN-CQSZACIVSA-N 1 0 237.343 1.606 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000140501542 592471831 /nfs/dbraw/zinc/47/18/31/592471831.db2.gz QRPKWKHMIUWDBI-NWDGAFQWSA-N 1 0 219.284 1.553 10 0 BDAERO CC1(C)CCC[C@](C[NH3+])(OCCO)CC1 ZINC000300029233 592499811 /nfs/dbraw/zinc/49/98/11/592499811.db2.gz IBQJKIBZIMBKNA-LBPRGKRZSA-N 1 0 215.337 1.683 10 0 BDAERO C[C@@H]1CCN(c2ncnc3c2CCC3)[C@H](C[NH3+])C1 ZINC000300094015 592502422 /nfs/dbraw/zinc/50/24/22/592502422.db2.gz TWAYSSDEUQCPMT-MNOVXSKESA-N 1 0 246.358 1.529 10 0 BDAERO FC(F)C(F)(F)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000300370395 592509550 /nfs/dbraw/zinc/50/95/50/592509550.db2.gz BOFNKEMONLDNTL-QMMMGPOBSA-N 1 0 240.244 1.667 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H]2COCC2(C)C)C1 ZINC000313071237 634444630 /nfs/dbraw/zinc/44/46/30/634444630.db2.gz FFMLCQXLHSNYRO-MNOVXSKESA-N 1 0 212.337 1.095 10 0 BDAERO Cc1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)o1 ZINC000258130661 634572961 /nfs/dbraw/zinc/57/29/61/634572961.db2.gz URTCQXYRSQDLRO-QMMMGPOBSA-N 1 0 219.244 1.715 10 0 BDAERO CCc1cc(-c2nc([C@H](C)C[NH3+])no2)n(C)n1 ZINC000090127833 635434276 /nfs/dbraw/zinc/43/42/76/635434276.db2.gz NMXLVCOOZPRKTB-SSDOTTSWSA-N 1 0 235.291 1.095 10 0 BDAERO [NH3+][C@@H]1CC[C@H](CNc2nc(C3CC3)ns2)C1 ZINC000227644918 635453703 /nfs/dbraw/zinc/45/37/03/635453703.db2.gz GMCMMWGUWNFWLH-IONNQARKSA-N 1 0 238.360 1.955 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1occc1Br ZINC000308272582 631235654 /nfs/dbraw/zinc/23/56/54/631235654.db2.gz SWLGDFULZZJZQM-RNFRBKRXSA-N 1 0 248.120 1.901 10 0 BDAERO CCOCC[N@@H+]1CCN(C/C=C\Cl)C[C@H]1C ZINC000255336046 631286710 /nfs/dbraw/zinc/28/67/10/631286710.db2.gz XKOCKOUOXSSMSC-QMAVJUDZSA-N 1 0 246.782 1.782 10 0 BDAERO [NH3+]C1(c2ncccn2)Cc2ccccc2C1 ZINC000380784505 631319251 /nfs/dbraw/zinc/31/92/51/631319251.db2.gz CPVLWCGIDPTLNH-UHFFFAOYSA-N 1 0 211.268 1.429 10 0 BDAERO [NH3+]C1CC(CNc2ncnc3c2CCC3)C1 ZINC000084447786 631440926 /nfs/dbraw/zinc/44/09/26/631440926.db2.gz OOZDPUXBZFKQPO-UHFFFAOYSA-N 1 0 218.304 1.115 10 0 BDAERO CCc1ncc(C[NH2+][C@H](C)[C@@H](C)O)s1 ZINC000308617427 631446739 /nfs/dbraw/zinc/44/67/39/631446739.db2.gz SCKGQSMXIRAMJZ-HTQZYQBOSA-N 1 0 214.334 1.564 10 0 BDAERO Cn1nccc1NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089397054 631503354 /nfs/dbraw/zinc/50/33/54/631503354.db2.gz SYFDQTXTNMGCOV-NXEZZACHSA-N 1 0 236.319 1.124 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(F)cc(F)c1 ZINC000234542159 631572018 /nfs/dbraw/zinc/57/20/18/631572018.db2.gz DLFVYIHVOPHQLJ-WDEREUQCSA-N 1 0 241.237 1.441 10 0 BDAERO C[C@@H]1C[C@H]1c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000252216724 635641096 /nfs/dbraw/zinc/64/10/96/635641096.db2.gz ZJQWNSMQZZEAEY-OPRDCNLKSA-N 1 0 221.304 1.735 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C=O)[nH]2)C1 ZINC000176267053 631654018 /nfs/dbraw/zinc/65/40/18/631654018.db2.gz STUMKVZJQIIZBL-SNVBAGLBSA-N 1 0 249.314 1.041 10 0 BDAERO CCCOC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000308849457 631696250 /nfs/dbraw/zinc/69/62/50/631696250.db2.gz MKCMLRRXITUZCU-SNVBAGLBSA-N 1 0 214.309 1.607 10 0 BDAERO CC[C@@H]1CN(C/C=C\Cl)CC[N@@H+]1C[C@@H](C)O ZINC000255551131 632011789 /nfs/dbraw/zinc/01/17/89/632011789.db2.gz LWAKGQYWUKFBBZ-XLMCQVRKSA-N 1 0 246.782 1.516 10 0 BDAERO OCc1cc(C2C[NH+](C[C@H]3CC=CCC3)C2)no1 ZINC000888076863 632016326 /nfs/dbraw/zinc/01/63/26/632016326.db2.gz OASDMPJRCAZQGU-NSHDSACASA-N 1 0 248.326 1.922 10 0 BDAERO C[C@H](C[NH3+])c1noc(-c2ccsc2)n1 ZINC000054158774 635775780 /nfs/dbraw/zinc/77/57/80/635775780.db2.gz ZMQYDRLAQXPRJT-ZCFIWIBFSA-N 1 0 209.274 1.860 10 0 BDAERO c1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cnn1 ZINC000229215303 632529809 /nfs/dbraw/zinc/52/98/09/632529809.db2.gz ONUCMYCQVFFTRL-VIFPVBQESA-N 1 0 245.286 1.069 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C1CCCC1 ZINC000229219150 632531862 /nfs/dbraw/zinc/53/18/62/632531862.db2.gz XCOKLWKIJLJSTH-WDEREUQCSA-N 1 0 211.305 1.575 10 0 BDAERO CCc1ccccc1C(=O)NCC1CC([NH3+])C1 ZINC000162217231 632560221 /nfs/dbraw/zinc/56/02/21/632560221.db2.gz DEDAFNUPBHYREP-UHFFFAOYSA-N 1 0 232.327 1.716 10 0 BDAERO CC(C)OC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000309750602 632664578 /nfs/dbraw/zinc/66/45/78/632664578.db2.gz ZEEOJASMNIRPAC-NXEZZACHSA-N 1 0 214.309 1.556 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000309756798 632665968 /nfs/dbraw/zinc/66/59/68/632665968.db2.gz HTHUYEGNXSYXNT-IJLUTSLNSA-N 1 0 219.332 1.834 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000310572710 632760432 /nfs/dbraw/zinc/76/04/32/632760432.db2.gz OOOMVMQYYFEFSR-XQQFMLRXSA-N 1 0 236.359 1.784 10 0 BDAERO C[C@H]1CC(C)(C)C[C@@]1(C[NH3+])OCCO ZINC000235558277 632785206 /nfs/dbraw/zinc/78/52/06/632785206.db2.gz FPRVMXVFRZPSDE-ONGXEEELSA-N 1 0 201.310 1.149 10 0 BDAERO C[C@H]1CCC[C@](C[NH3+])(OCCO)CC1 ZINC000235562365 632786025 /nfs/dbraw/zinc/78/60/25/632786025.db2.gz SDCADYIUKFRFTO-QWRGUYRKSA-N 1 0 201.310 1.293 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000339399215 635849191 /nfs/dbraw/zinc/84/91/91/635849191.db2.gz HIRGXAOXFFZMFS-HTQZYQBOSA-N 1 0 229.707 1.905 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)Cc1c(C)noc1C ZINC000160539269 632990785 /nfs/dbraw/zinc/99/07/85/632990785.db2.gz LVDOGDAUEWWJPG-LBPRGKRZSA-N 1 0 226.320 1.884 10 0 BDAERO CCOCCC[NH2+]C[C@H](O)c1cccnc1 ZINC000309429554 633058807 /nfs/dbraw/zinc/05/88/07/633058807.db2.gz FWNAVTGMBUHWQY-LBPRGKRZSA-N 1 0 224.304 1.131 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1F ZINC000166536539 633117863 /nfs/dbraw/zinc/11/78/63/633117863.db2.gz CEYHBABYDYDRGP-GHMZBOCLSA-N 1 0 237.274 1.692 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000166616358 633119530 /nfs/dbraw/zinc/11/95/30/633119530.db2.gz BBFYOXHXINVYQZ-QWHCGFSZSA-N 1 0 249.310 1.561 10 0 BDAERO CS[C@H](C)CCc1nc([C@@H](C)C[NH3+])no1 ZINC000309472325 633129550 /nfs/dbraw/zinc/12/95/50/633129550.db2.gz RFRUUXOOKMFNNQ-JGVFFNPUSA-N 1 0 229.349 1.816 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1cncc(Br)c1 ZINC000306364481 635965351 /nfs/dbraw/zinc/96/53/51/635965351.db2.gz CWGPPRDVVWBQAM-SSDOTTSWSA-N 1 0 244.136 1.628 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)nn1C ZINC000307008394 635979766 /nfs/dbraw/zinc/97/97/66/635979766.db2.gz MIOOFGSDPUMLME-HTRCEHHLSA-N 1 0 244.136 1.681 10 0 BDAERO C[C@H]1CCCC[C@@H]1OCC[NH2+]C(C)(C)CO ZINC000309774722 633731011 /nfs/dbraw/zinc/73/10/11/633731011.db2.gz LKOQTEAQMSTZPE-RYUDHWBXSA-N 1 0 229.364 1.942 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)[C@@H]1CCCO1 ZINC000309206410 633863319 /nfs/dbraw/zinc/86/33/19/633863319.db2.gz BDYUVAMUSHMMIE-AXFHLTTASA-N 1 0 229.320 1.295 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000309918894 633934937 /nfs/dbraw/zinc/93/49/37/633934937.db2.gz QWKZUGXYGBNCKJ-AGVGLQIMSA-N 1 0 232.318 1.960 10 0 BDAERO Cc1ccc(CCC[NH2+][C@@H](C)[C@H](C)O)cn1 ZINC000309915356 633935955 /nfs/dbraw/zinc/93/59/55/633935955.db2.gz OZEPDBYCCFLACT-RYUDHWBXSA-N 1 0 222.332 1.682 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309500880 633938256 /nfs/dbraw/zinc/93/82/56/633938256.db2.gz LNNBASYWMQODAP-GRYCIOLGSA-N 1 0 222.332 1.538 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000395984278 633947628 /nfs/dbraw/zinc/94/76/28/633947628.db2.gz FSARFPNRJGPGGP-NSHDSACASA-N 1 0 241.379 1.864 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)c2ncc[nH]2)C1 ZINC000309927815 633949340 /nfs/dbraw/zinc/94/93/40/633949340.db2.gz WEXHBVCBZBEPKU-HBNTYKKESA-N 1 0 222.336 1.401 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000309942715 633965197 /nfs/dbraw/zinc/96/51/97/633965197.db2.gz CCHFXNVEIVZBKV-OUAUKWLOSA-N 1 0 223.316 1.599 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000309942714 633966303 /nfs/dbraw/zinc/96/63/03/633966303.db2.gz CCHFXNVEIVZBKV-GARJFASQSA-N 1 0 223.316 1.599 10 0 BDAERO CC[C@@H]([NH2+]C1CC(OC)C1)c1cnn(C)c1 ZINC000309994828 634054595 /nfs/dbraw/zinc/05/45/95/634054595.db2.gz BVXCJEWPORBJAD-HTAVTVPLSA-N 1 0 223.320 1.638 10 0 BDAERO C[C@@H](NC(=O)c1cccc(C[NH3+])c1)[C@@H]1CCCO1 ZINC000035734345 634076592 /nfs/dbraw/zinc/07/65/92/634076592.db2.gz MLKRHAOLAIKLJU-MFKMUULPSA-N 1 0 248.326 1.443 10 0 BDAERO CC[S@](=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162552284 634189720 /nfs/dbraw/zinc/18/97/20/634189720.db2.gz IAUCGXDXNIISDZ-QUIZZNFMSA-N 1 0 245.388 1.158 10 0 BDAERO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(C)C)C[C@@H]1C ZINC000319535159 634320202 /nfs/dbraw/zinc/32/02/02/634320202.db2.gz CTJKGPNNIVHLAK-HBNTYKKESA-N 1 0 213.321 1.772 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000054076610 634341022 /nfs/dbraw/zinc/34/10/22/634341022.db2.gz FEIYTRWZANTOMX-DTWKUNHWSA-N 1 0 226.345 1.842 10 0 BDAERO [NH3+]C1CC(C(=O)N2CCc3ccccc32)C1 ZINC000258703797 635191021 /nfs/dbraw/zinc/19/10/21/635191021.db2.gz KEUNHZPGWKHRRL-UHFFFAOYSA-N 1 0 216.284 1.313 10 0 BDAERO COC(=O)c1cccc(NC(=O)C2CC([NH3+])C2)c1 ZINC000258750376 635195424 /nfs/dbraw/zinc/19/54/24/635195424.db2.gz ODUCZVQFYDLBGJ-UHFFFAOYSA-N 1 0 248.282 1.149 10 0 BDAERO [NH3+]C1CC(C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000258830049 635211784 /nfs/dbraw/zinc/21/17/84/635211784.db2.gz YYZPUICVQUDSJO-UHFFFAOYSA-N 1 0 232.283 1.297 10 0 BDAERO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@@H](C)O ZINC000336742022 635254797 /nfs/dbraw/zinc/25/47/97/635254797.db2.gz NWGJYSLEWCAVGK-MWLCHTKSSA-N 1 0 225.336 1.631 10 0 BDAERO Cc1cc(-c2nc([C@@H](C)C[NH3+])no2)on1 ZINC000054158971 635775198 /nfs/dbraw/zinc/77/51/98/635775198.db2.gz SHTGNZNZAGGCQE-YFKPBYRVSA-N 1 0 208.221 1.095 10 0 BDAERO [NH3+]CCNc1nccn2nc(C(F)(F)F)cc12 ZINC000129020434 636705184 /nfs/dbraw/zinc/70/51/84/636705184.db2.gz AKSLWHWCMUCAIM-UHFFFAOYSA-N 1 0 245.208 1.119 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000237347981 636716685 /nfs/dbraw/zinc/71/66/85/636716685.db2.gz YKRGPAORQQLIIQ-NSHDSACASA-N 1 0 220.316 1.330 10 0 BDAERO CCn1ncnc1[C@@](C)([NH3+])c1ccccc1 ZINC000054498758 636742469 /nfs/dbraw/zinc/74/24/69/636742469.db2.gz YJWUNLPLOPVXPL-LBPRGKRZSA-N 1 0 216.288 1.520 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ncc(F)cn1 ZINC000128495400 637079737 /nfs/dbraw/zinc/07/97/37/637079737.db2.gz QNDFPRJWINGUAL-SNVBAGLBSA-N 1 0 224.283 1.194 10 0 BDAERO CCc1ccc([C@H]2CC[NH+]=C(N)N2)cc1 ZINC000149496524 638538502 /nfs/dbraw/zinc/53/85/02/638538502.db2.gz KGSYWDMPLZKEIY-LLVKDONJSA-N 1 0 203.289 1.598 10 0 BDAERO COc1ccccc1[C@@H]1CC[NH+]=C(N)N1 ZINC000149782919 639137698 /nfs/dbraw/zinc/13/76/98/639137698.db2.gz ZFGAXSJSPNLPKR-VIFPVBQESA-N 1 0 205.261 1.044 10 0 BDAERO CC[NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000044290827 640175788 /nfs/dbraw/zinc/17/57/88/640175788.db2.gz YGOZDXODIVIBJC-QMMMGPOBSA-N 1 0 242.269 1.752 10 0 BDAERO CCCc1nc(C[C@@H]2CCC[NH2+]2)n(C)n1 ZINC000054697559 640304499 /nfs/dbraw/zinc/30/44/99/640304499.db2.gz VGYURSOOJMCMPQ-VIFPVBQESA-N 1 0 208.309 1.062 10 0 BDAERO CCc1nc(C2([NH3+])CCCCC2)n(C)n1 ZINC000054696857 640305438 /nfs/dbraw/zinc/30/54/38/640305438.db2.gz YGALAPIXFCOKIB-UHFFFAOYSA-N 1 0 208.309 1.496 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1nc(C(C)C)nn1C ZINC000054697780 640305818 /nfs/dbraw/zinc/30/58/18/640305818.db2.gz ZMQXPWOGDOKYFE-DTWKUNHWSA-N 1 0 210.325 1.984 10 0 BDAERO C[C@H]([NH3+])Cc1nc(-c2cccs2)nn1C ZINC000054699868 640320986 /nfs/dbraw/zinc/32/09/86/640320986.db2.gz GBCQQIBNPUZWLM-ZETCQYMHSA-N 1 0 222.317 1.433 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)n2ccnc2)C1 ZINC000045136353 640509378 /nfs/dbraw/zinc/50/93/78/640509378.db2.gz VHOGQIYOGRYXIR-NSHDSACASA-N 1 0 236.319 1.171 10 0 BDAERO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000224870134 640645183 /nfs/dbraw/zinc/64/51/83/640645183.db2.gz VYPVXWAVWWNRQO-ZYHUDNBSSA-N 1 0 240.347 1.202 10 0 BDAERO O[C@H](C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000225547703 640700114 /nfs/dbraw/zinc/70/01/14/640700114.db2.gz WEXQQYPUFPLNCO-YNEHKIRRSA-N 1 0 225.332 1.401 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(F)(F)C(F)F)C1 ZINC000226640065 640784427 /nfs/dbraw/zinc/78/44/27/640784427.db2.gz JOGHSAMMXZDKGK-ZCFIWIBFSA-N 1 0 242.216 1.049 10 0 BDAERO CO[C@@H](c1noc([C@@]2(C)CC[NH2+]C2)n1)C1CC1 ZINC000227332026 640827901 /nfs/dbraw/zinc/82/79/01/640827901.db2.gz DLJCOSCSAFHWQQ-SKDRFNHKSA-N 1 0 237.303 1.418 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000227570336 640840166 /nfs/dbraw/zinc/84/01/66/640840166.db2.gz GESFUCANLYQZAA-GXTWGEPZSA-N 1 0 235.327 1.424 10 0 BDAERO C[C@H]1OCC[C@]1(O)C[NH2+]CCc1ccccc1 ZINC000228095214 640860059 /nfs/dbraw/zinc/86/00/59/640860059.db2.gz ZOFYQSHYKOWNGY-OCCSQVGLSA-N 1 0 235.327 1.359 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](CCOC(C)(C)C)C[C@@H]1C ZINC000228273951 640867799 /nfs/dbraw/zinc/86/77/99/640867799.db2.gz MUNVGUNBUUPRAS-WDEREUQCSA-N 1 0 243.347 1.542 10 0 BDAERO C[NH2+][C@H](C)c1nc(-c2cncs2)no1 ZINC000087572097 640930286 /nfs/dbraw/zinc/93/02/86/640930286.db2.gz UMIIIYGGWYHQTN-RXMQYKEDSA-N 1 0 210.262 1.474 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC12CCC(C)CC2 ZINC000229203969 640933125 /nfs/dbraw/zinc/93/31/25/640933125.db2.gz WBNXCESVQFCKJA-YZRBJQDESA-N 1 0 211.305 1.575 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(-c2cscn2)no1 ZINC000087588738 640934261 /nfs/dbraw/zinc/93/42/61/640934261.db2.gz LNWHMFCVJWPNBH-RXMQYKEDSA-N 1 0 210.262 1.083 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]CC12CCC(C)CC2 ZINC000229215607 640934299 /nfs/dbraw/zinc/93/42/99/640934299.db2.gz ADEOABLXGYLODU-AKJDGMEZSA-N 1 0 225.332 1.965 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000230063385 641011814 /nfs/dbraw/zinc/01/18/14/641011814.db2.gz OYEHKGXAHFVNJD-MXWKQRLJSA-N 1 0 210.321 1.419 10 0 BDAERO CC[C@H](O)CN1CC[NH+](C[Si](C)(C)C)CC1 ZINC000172355602 641056388 /nfs/dbraw/zinc/05/63/88/641056388.db2.gz CMBSFJARKMCLEU-LBPRGKRZSA-N 1 0 244.455 1.252 10 0 BDAERO Cc1cccc([C@H](O)CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000062968069 641112632 /nfs/dbraw/zinc/11/26/32/641112632.db2.gz YWFKCDZVCXKXER-LSDHHAIUSA-N 1 0 248.370 1.664 10 0 BDAERO [NH3+]C[C@H]1CCc2ccccc2N1C[C@@H]1CCCO1 ZINC000063075386 641125492 /nfs/dbraw/zinc/12/54/92/641125492.db2.gz AWYXQXLZQOMHRH-KGLIPLIRSA-N 1 0 246.354 1.946 10 0 BDAERO c1coc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000063084637 641127870 /nfs/dbraw/zinc/12/78/70/641127870.db2.gz HYQBLCVXPJLYOT-SECBINFHSA-N 1 0 233.271 1.872 10 0 BDAERO C[C@@H]1CN(c2cc[nH+]c(CO)c2)C[C@@H](C)O1 ZINC000040864012 641536980 /nfs/dbraw/zinc/53/69/80/641536980.db2.gz WUUHUUQMIJUKNR-NXEZZACHSA-N 1 0 222.288 1.188 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)CCCCC[NH3+] ZINC000155363483 641565391 /nfs/dbraw/zinc/56/53/91/641565391.db2.gz REISPHVVJFSGGY-QWRGUYRKSA-N 1 0 212.337 1.810 10 0 BDAERO CCC[C@H](C)C[N@@H+]1CCOC[C@@H]1CO ZINC000159278394 641675023 /nfs/dbraw/zinc/67/50/23/641675023.db2.gz KBYLGSBWJPBIBB-QWRGUYRKSA-N 1 0 201.310 1.116 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1ccncc1 ZINC000089454464 641764289 /nfs/dbraw/zinc/76/42/89/641764289.db2.gz WLFIZLIGLXNWCF-OLZOCXBDSA-N 1 0 247.342 1.115 10 0 BDAERO C[C@@H]([NH2+]C[C@@H](O)CO)c1cccc(Cl)c1 ZINC000078430010 641921453 /nfs/dbraw/zinc/92/14/53/641921453.db2.gz OXIGLTROGZSMOD-LDYMZIIASA-N 1 0 229.707 1.344 10 0 BDAERO CCC[C@H]1C[C@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000233394761 642667811 /nfs/dbraw/zinc/66/78/11/642667811.db2.gz VMDFEZJYXIEFEX-GXSJLCMTSA-N 1 0 231.361 1.342 10 0 BDAERO CC[C@@H]1CCC[C@@](C[NH3+])(OCCO)C1 ZINC000233923353 642707654 /nfs/dbraw/zinc/70/76/54/642707654.db2.gz XDTNONFAISEEDP-GHMZBOCLSA-N 1 0 201.310 1.293 10 0 BDAERO Cc1ccc([C@](C)(O)C[NH+]2CCC(O)CC2)cc1 ZINC000069616983 642884298 /nfs/dbraw/zinc/88/42/98/642884298.db2.gz IDVAJJGIMZZJLF-OAHLLOKOSA-N 1 0 249.354 1.659 10 0 BDAERO CSCc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000070004578 642949853 /nfs/dbraw/zinc/94/98/53/642949853.db2.gz OIHFUBWBPOHAJR-MRVPVSSYSA-N 1 0 227.333 1.475 10 0 BDAERO CC(C)Oc1cncc(N(C)C[C@H](C)[NH3+])n1 ZINC000070580942 643043471 /nfs/dbraw/zinc/04/34/71/643043471.db2.gz GZZRICSUECKEOK-VIFPVBQESA-N 1 0 224.308 1.047 10 0 BDAERO CCCN(C[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000070902956 643081953 /nfs/dbraw/zinc/08/19/53/643081953.db2.gz MFMKAULXIJFOBV-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CCCN(C[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000070902960 643082504 /nfs/dbraw/zinc/08/25/04/643082504.db2.gz MFMKAULXIJFOBV-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO [NH3+]CCCCCCC(=O)N[C@H]1CCCOC1 ZINC000071023643 643096132 /nfs/dbraw/zinc/09/61/32/643096132.db2.gz KCCMVPWMNACZLE-NSHDSACASA-N 1 0 228.336 1.191 10 0 BDAERO CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)CO ZINC000090281859 643128159 /nfs/dbraw/zinc/12/81/59/643128159.db2.gz BDYFPMOYORLLMD-GHMZBOCLSA-N 1 0 239.315 1.089 10 0 BDAERO C[C@H](NC(=O)CCCCCC[NH3+])C1CC1 ZINC000035733696 643254297 /nfs/dbraw/zinc/25/42/97/643254297.db2.gz FYWDVRJJTOKLMD-JTQLQIEISA-N 1 0 212.337 1.810 10 0 BDAERO Cc1cc2c(ncnc2N(C)CCC[NH3+])s1 ZINC000082485796 643321919 /nfs/dbraw/zinc/32/19/19/643321919.db2.gz UCTWGPCXEKOXGX-UHFFFAOYSA-N 1 0 236.344 1.785 10 0 BDAERO COC[C@@H]1CCO[C@]2(CCCSC2)[NH2+]1 ZINC000757152044 643343129 /nfs/dbraw/zinc/34/31/29/643343129.db2.gz UTIBUOQNTBXTHJ-UWVGGRQHSA-N 1 0 217.334 1.235 10 0 BDAERO C[C@@H]1CC[C@](C[NH3+])(OCCO)[C@@H](C)C1 ZINC000235284903 643345866 /nfs/dbraw/zinc/34/58/66/643345866.db2.gz UPKIFUYIEQOSPF-OUAUKWLOSA-N 1 0 201.310 1.149 10 0 BDAERO Cc1cc2c(ncnc2N(C)C[C@H](C)[NH3+])s1 ZINC000082592443 643351324 /nfs/dbraw/zinc/35/13/24/643351324.db2.gz YSHXQEVFQDMDQN-ZETCQYMHSA-N 1 0 236.344 1.783 10 0 BDAERO CC(C)(C)OC(=O)[C@@]1(F)CCCC[C@H]1[NH3+] ZINC000757182960 643357432 /nfs/dbraw/zinc/35/74/32/643357432.db2.gz MFTPVZGXPQECDH-LDYMZIIASA-N 1 0 217.284 1.938 10 0 BDAERO CC(C)(C)OC(=O)[C@]1(F)CCCC[C@@H]1[NH3+] ZINC000757182952 643357487 /nfs/dbraw/zinc/35/74/87/643357487.db2.gz MFTPVZGXPQECDH-KWQFWETISA-N 1 0 217.284 1.938 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccncc1 ZINC000757191317 643363549 /nfs/dbraw/zinc/36/35/49/643363549.db2.gz UETCVGJSJFZROS-NEPJUHHUSA-N 1 0 248.326 1.726 10 0 BDAERO CC(C)(C)n1cc([C@@H]2CNC[C@@H]([NH3+])C2)cn1 ZINC000757210062 643370584 /nfs/dbraw/zinc/37/05/84/643370584.db2.gz AESNXPVSRNLRSM-ONGXEEELSA-N 1 0 222.336 1.042 10 0 BDAERO C[C@@H]1N[C@@H](c2ccc(C=O)s2)CC[C@H]1[NH3+] ZINC000757211477 643370759 /nfs/dbraw/zinc/37/07/59/643370759.db2.gz HQMAJQIKZJGOFL-FXBDTBDDSA-N 1 0 224.329 1.701 10 0 BDAERO C[C@@H]1N[C@@H](c2cccc(N)c2)CC[C@H]1[NH3+] ZINC000757211080 643371811 /nfs/dbraw/zinc/37/18/11/643371811.db2.gz FTRVCMCNEZFCAU-XXILOJSOSA-N 1 0 205.305 1.409 10 0 BDAERO CC[C@@H]1CC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400446727 643389322 /nfs/dbraw/zinc/38/93/22/643389322.db2.gz IBBXGJGHMQXGGZ-SKDRFNHKSA-N 1 0 205.305 1.961 10 0 BDAERO C[C@H](C[NH3+])c1noc(-c2ccncc2F)n1 ZINC000083094403 643410569 /nfs/dbraw/zinc/41/05/69/643410569.db2.gz XROYJVVOVADJMH-ZCFIWIBFSA-N 1 0 222.223 1.333 10 0 BDAERO C[C@H]([NH2+]C(C)(C)CO)C(=O)N1CCCCCC1 ZINC000035115076 643449071 /nfs/dbraw/zinc/44/90/71/643449071.db2.gz BVAFLUNRCBDADW-NSHDSACASA-N 1 0 242.363 1.138 10 0 BDAERO CC(C)c1cc(N(C)C[C@H](C)[NH3+])ncn1 ZINC000082592547 643514427 /nfs/dbraw/zinc/51/44/27/643514427.db2.gz KNRPIYFKBXJMCH-VIFPVBQESA-N 1 0 208.309 1.383 10 0 BDAERO CC(C)c1cc(N(C)C[C@@H](C)[NH3+])ncn1 ZINC000082592545 643514576 /nfs/dbraw/zinc/51/45/76/643514576.db2.gz KNRPIYFKBXJMCH-SECBINFHSA-N 1 0 208.309 1.383 10 0 BDAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)n1cc(Cl)cn1 ZINC000082800518 643526594 /nfs/dbraw/zinc/52/65/94/643526594.db2.gz YJXXJPLWKZXLCW-GMSGAONNSA-N 1 0 245.710 1.378 10 0 BDAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1ccnc1C ZINC000082800189 643526640 /nfs/dbraw/zinc/52/66/40/643526640.db2.gz KCEQRNYKPKXIKU-KCJUWKMLSA-N 1 0 225.292 1.033 10 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215.337 1.815 10 0 BDAERO Cc1cnc(CN[C@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000724073872 711559146 /nfs/dbraw/zinc/55/91/46/711559146.db2.gz QPTHYTNFYIKCEM-OLZOCXBDSA-N 1 0 233.359 1.786 10 0 BDAERO C[C@@H]1CC[C@H](C)[C@@](C[NH3+])(OCCO)C1 ZINC000235259333 711655651 /nfs/dbraw/zinc/65/56/51/711655651.db2.gz KOEXYVPYWGTABM-OUAUKWLOSA-N 1 0 201.310 1.149 10 0 BDAERO Cc1ccc(OCCN2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000235636071 711666348 /nfs/dbraw/zinc/66/63/48/711666348.db2.gz DNAJAMASFBJYQI-JSGCOSHPSA-N 1 0 234.343 1.653 10 0 BDAERO CCCCNC(=S)N[C@@H]1CCC[N@H+](CC)C1 ZINC000136152271 711688030 /nfs/dbraw/zinc/68/80/30/711688030.db2.gz GXMDENUMCARXLO-LLVKDONJSA-N 1 0 243.420 1.735 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000310020464 711702213 /nfs/dbraw/zinc/70/22/13/711702213.db2.gz NAXDHGBNTKDNIL-CMPLNLGQSA-N 1 0 222.336 1.874 10 0 BDAERO COC(=O)c1ccc(NC(=O)C2CC([NH3+])C2)cc1 ZINC000258732330 711741275 /nfs/dbraw/zinc/74/12/75/711741275.db2.gz MSTBFRSETSVZDH-UHFFFAOYSA-N 1 0 248.282 1.149 10 0 BDAERO CCCn1cc(N[C@@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000722375477 711751731 /nfs/dbraw/zinc/75/17/31/711751731.db2.gz RPTSCDWOYKPOJC-WDEREUQCSA-N 1 0 222.336 1.703 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)nn1C ZINC000340390034 711775200 /nfs/dbraw/zinc/77/52/00/711775200.db2.gz GYLSUBOZFXUUFR-KXUCPTDWSA-N 1 0 211.309 1.148 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000721859148 711791708 /nfs/dbraw/zinc/79/17/08/711791708.db2.gz TVCZUSJAPIYJGJ-VXNVDRBHSA-N 1 0 243.257 1.703 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721863875 711791931 /nfs/dbraw/zinc/79/19/31/711791931.db2.gz QJLSLVPDDPJANE-ZYHUDNBSSA-N 1 0 215.337 1.240 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000721864823 711792143 /nfs/dbraw/zinc/79/21/43/711792143.db2.gz ZUSVDXDCFINGLF-RNFRBKRXSA-N 1 0 246.236 1.515 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1nc2ccccc2[nH]1 ZINC000721899621 711812788 /nfs/dbraw/zinc/81/27/88/711812788.db2.gz 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ZINC000711819237 712333452 /nfs/dbraw/zinc/33/34/52/712333452.db2.gz YKFJIMMMFUFJJB-ONGXEEELSA-N 1 0 221.304 1.485 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@H]12 ZINC000711963625 712339581 /nfs/dbraw/zinc/33/95/81/712339581.db2.gz NDIPYCDANPJREB-HTVCTNPSSA-N 1 0 248.370 1.618 10 0 BDAERO CC(C)[C@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378771174 712360326 /nfs/dbraw/zinc/36/03/26/712360326.db2.gz FVSYCAZVSFUCBM-GUBZILKMSA-N 1 0 216.300 1.176 10 0 BDAERO Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)nc(N)[nH+]1 ZINC000378761286 712361044 /nfs/dbraw/zinc/36/10/44/712361044.db2.gz BAINTBHQIRLNMA-IVZWLZJFSA-N 1 0 218.304 1.220 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712502404 712432139 /nfs/dbraw/zinc/43/21/39/712432139.db2.gz KOVVKPUYJKBNGY-UPJWGTAASA-N 1 0 239.359 1.933 10 0 BDAERO CN1CC[C@H]1C[NH2+]CCc1ccccc1 ZINC000712597589 712435943 /nfs/dbraw/zinc/43/59/43/712435943.db2.gz GDCYEDATZWFTNS-ZDUSSCGKSA-N 1 0 204.317 1.523 10 0 BDAERO COCC(C)(C)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000712608052 712437310 /nfs/dbraw/zinc/43/73/10/712437310.db2.gz OTJGOYYOYNMBLG-MNOVXSKESA-N 1 0 243.347 1.400 10 0 BDAERO COCc1nc(C[NH2+]C[C@H]2CCN2C)cs1 ZINC000712571101 712447761 /nfs/dbraw/zinc/44/77/61/712447761.db2.gz WFPYKZJUHBWKBW-SNVBAGLBSA-N 1 0 241.360 1.083 10 0 BDAERO C[C@@H]1CN(Cc2scnc2Cl)C[C@@H]1[NH3+] ZINC000713479800 712461822 /nfs/dbraw/zinc/46/18/22/712461822.db2.gz CWPLWUOAFNYQFT-RQJHMYQMSA-N 1 0 231.752 1.576 10 0 BDAERO C=C/C=C/CCN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000713758220 712472032 /nfs/dbraw/zinc/47/20/32/712472032.db2.gz QDXQTAXUFOCJFO-FBVTZJDUSA-N 1 0 224.348 1.557 10 0 BDAERO CCc1ccc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)cc1 ZINC000713781933 712472292 /nfs/dbraw/zinc/47/22/92/712472292.db2.gz LSRXAZAWWNDNJC-AAEUAGOBSA-N 1 0 248.326 1.551 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NC2CCCCCC2)CO1 ZINC000713914158 712473015 /nfs/dbraw/zinc/47/30/15/712473015.db2.gz WIVHNLAKOHXXPB-PWSUYJOCSA-N 1 0 240.347 1.189 10 0 BDAERO CCn1cc([C@H](C)[NH2+]C2CC(COC)C2)cn1 ZINC000713946438 712474210 /nfs/dbraw/zinc/47/42/10/712474210.db2.gz SPYNJUSRJKTPBF-ZBOXLXRLSA-N 1 0 237.347 1.979 10 0 BDAERO COCC1CC(NC(=O)C2CCC([NH3+])CC2)C1 ZINC000713943790 712474221 /nfs/dbraw/zinc/47/42/21/712474221.db2.gz BVKXCKKKMVVMPN-UHFFFAOYSA-N 1 0 240.347 1.045 10 0 BDAERO COCC1CC([NH2+]Cc2ccc(OC)nc2)C1 ZINC000713935435 712474335 /nfs/dbraw/zinc/47/43/35/712474335.db2.gz MPWCFYXXUHXYAW-UHFFFAOYSA-N 1 0 236.315 1.605 10 0 BDAERO COCC1CC([NH2+][C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000713951660 712474563 /nfs/dbraw/zinc/47/45/63/712474563.db2.gz CWUGLFDRFYUYTA-HBIQZDMRSA-N 1 0 235.331 1.904 10 0 BDAERO COCC1CC([NH2+][C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000713953506 712474779 /nfs/dbraw/zinc/47/47/79/712474779.db2.gz QYVQPXRRQCYTTI-WTIISPKJSA-N 1 0 238.375 1.626 10 0 BDAERO COCC1CC([NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000713985446 712476445 /nfs/dbraw/zinc/47/64/45/712476445.db2.gz PDJYQHJYSAGIFH-IZUQBHJASA-N 1 0 201.310 1.424 10 0 BDAERO COCC1CC([NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000713986981 712476345 /nfs/dbraw/zinc/47/63/45/712476345.db2.gz YAFGJYYDLBLDTL-IDWGSYCQSA-N 1 0 215.362 1.753 10 0 BDAERO O=C(C[C@@H]1CCCC1(F)F)N[C@H]1CC[NH2+]C1 ZINC000714022070 712477405 /nfs/dbraw/zinc/47/74/05/712477405.db2.gz OZWMEKPJLVGERS-IUCAKERBSA-N 1 0 232.274 1.290 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](c2nc([C@H]3CC34CC4)no2)CO1 ZINC000714062604 712477688 /nfs/dbraw/zinc/47/76/88/712477688.db2.gz HNXGXGSJAWEFKL-XHNCKOQMSA-N 1 0 235.287 1.168 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](c2nc(CC3CCC3)no2)CO1 ZINC000714059729 712477736 /nfs/dbraw/zinc/47/77/36/712477736.db2.gz PCSHKTOUFFQDHV-ZJUUUORDSA-N 1 0 237.303 1.243 10 0 BDAERO CCCn1cc(C[NH2+][C@H](C)C(C)C)nn1 ZINC000714436561 712486476 /nfs/dbraw/zinc/48/64/76/712486476.db2.gz KATOSZZXCAMGBQ-SNVBAGLBSA-N 1 0 210.325 1.822 10 0 BDAERO C[C@H]1COCCN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757500 712494368 /nfs/dbraw/zinc/49/43/68/712494368.db2.gz XILXUAMRBXUOIG-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO CO[C@H]1C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000714723191 712496216 /nfs/dbraw/zinc/49/62/16/712496216.db2.gz KHQOOHWKCBBXBF-DCAQKATOSA-N 1 0 215.337 1.408 10 0 BDAERO COC(=O)c1ccc(NCC2CC([NH3+])C2)nc1C ZINC000715108599 712509511 /nfs/dbraw/zinc/50/95/11/712509511.db2.gz FAKABSMDQDVLIS-UHFFFAOYSA-N 1 0 249.314 1.326 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2cncc(Cl)n2)C1 ZINC000715114121 712509845 /nfs/dbraw/zinc/50/98/45/712509845.db2.gz QTAQPVGUNHCMGE-KNVOCYPGSA-N 1 0 212.684 1.279 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cccc3[nH]ccc32)C1 ZINC000715113241 712509877 /nfs/dbraw/zinc/50/98/77/712509877.db2.gz DISWILQETRMDAC-UHFFFAOYSA-N 1 0 243.310 1.635 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ncnc3ccsc32)C1 ZINC000715152588 712512674 /nfs/dbraw/zinc/51/26/74/712512674.db2.gz NWKDMTHIRIAPDD-OCAPTIKFSA-N 1 0 234.328 1.841 10 0 BDAERO O=C(Nc1cc[nH]n1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715419001 712518368 /nfs/dbraw/zinc/51/83/68/712518368.db2.gz ZCHFYFIBBKMKBO-BXKDBHETSA-N 1 0 234.303 1.128 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715425381 712518664 /nfs/dbraw/zinc/51/86/64/712518664.db2.gz KLDDPIBWEADNNC-RWMBFGLXSA-N 1 0 224.348 1.367 10 0 BDAERO O=C(NCc1ccon1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715486640 712521052 /nfs/dbraw/zinc/52/10/52/712521052.db2.gz RGKYPXXTMUKUHF-ZWNOBZJWSA-N 1 0 249.314 1.071 10 0 BDAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cn(C)nn1 ZINC000715851840 712536298 /nfs/dbraw/zinc/53/62/98/712536298.db2.gz OQSIRGMOPKJMPA-NQMVMOMDSA-N 1 0 226.349 1.360 10 0 BDAERO CC[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)C(C)C ZINC000716070069 712549397 /nfs/dbraw/zinc/54/93/97/712549397.db2.gz RYAVWKAALTZLOZ-VQXHTEKXSA-N 1 0 233.377 1.586 10 0 BDAERO CC(C)(O)C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000716335164 712555514 /nfs/dbraw/zinc/55/55/14/712555514.db2.gz ZYJHJMVNKHTVDX-VXGBXAGGSA-N 1 0 227.348 1.383 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000716447385 712561389 /nfs/dbraw/zinc/56/13/89/712561389.db2.gz RAQVUBRWWAXXBH-OKGQBYDBSA-N 1 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DHIRSSSISCROGF-PMUOWJKOSA-N 1 0 224.348 1.665 10 0 BDAERO CC[C@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716758594 712572520 /nfs/dbraw/zinc/57/25/20/712572520.db2.gz AFIHABVDNKUXGJ-UZEXVOJHSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C2CC(C(N)=O)C2)[C@H](C)C1 ZINC000716759077 712572599 /nfs/dbraw/zinc/57/25/99/712572599.db2.gz FJPNWCHNDHQJRD-GQYKCQBRSA-N 1 0 224.348 1.665 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)[C@@H]1C ZINC000716762530 712572887 /nfs/dbraw/zinc/57/28/87/712572887.db2.gz YCVDDGFQIGCCMC-PSEORLGDSA-N 1 0 224.348 1.665 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCCc3occc32)C1 ZINC000716782946 712573116 /nfs/dbraw/zinc/57/31/16/712573116.db2.gz LHRKUOOIYQKFHV-AMUVOQDHSA-N 1 0 234.299 1.511 10 0 BDAERO Cc1cc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)c(C)o1 ZINC000716782415 712573210 /nfs/dbraw/zinc/57/32/10/712573210.db2.gz DJOBLELEBSTMJR-MFAVDMRSSA-N 1 0 236.315 1.811 10 0 BDAERO [NH3+]C1CC(CNc2nccc3cccnc32)C1 ZINC000716900457 712581371 /nfs/dbraw/zinc/58/13/71/712581371.db2.gz QOXHPWBHPBAQRK-UHFFFAOYSA-N 1 0 228.299 1.779 10 0 BDAERO C[NH2+]CCc1noc(C[C@@H]2CC(C)(C)CO2)n1 ZINC000717045519 712624820 /nfs/dbraw/zinc/62/48/20/712624820.db2.gz VAUJYEFHFJZIPJ-SECBINFHSA-N 1 0 239.319 1.189 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000379947427 712636019 /nfs/dbraw/zinc/63/60/19/712636019.db2.gz RKUMWUFAWJOVNU-WCBMZHEXSA-N 1 0 210.252 1.488 10 0 BDAERO C[C@@H](O)[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000717422317 712657565 /nfs/dbraw/zinc/65/75/65/712657565.db2.gz OBMZMAFTTCJFEY-SXMVTHIZSA-N 1 0 245.269 1.357 10 0 BDAERO [NH3+]C1CC(Cc2nc([C@@H]3CC34CC4)no2)C1 ZINC000718048911 712738780 /nfs/dbraw/zinc/73/87/80/712738780.db2.gz BJFOPHUJQULATR-HACHORDNSA-N 1 0 219.288 1.617 10 0 BDAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000718090114 712742225 /nfs/dbraw/zinc/74/22/25/712742225.db2.gz NHHNZOZXQZLUKR-MXWKQRLJSA-N 1 0 242.363 1.027 10 0 BDAERO Cc1coc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000718497523 712767305 /nfs/dbraw/zinc/76/73/05/712767305.db2.gz CWIBQDIXGOUVNG-AXFHLTTASA-N 1 0 234.299 1.397 10 0 BDAERO COCC(C)(C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000718938979 712789057 /nfs/dbraw/zinc/78/90/57/712789057.db2.gz LALLYAXBOOMHFI-GHMZBOCLSA-N 1 0 242.363 1.021 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1ccnc2ncccc12 ZINC000718924618 712789476 /nfs/dbraw/zinc/78/94/76/712789476.db2.gz XEOBWPPDWHQNTJ-UHFFFAOYSA-N 1 0 240.310 1.557 10 0 BDAERO COCC(C)(C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000718942431 712789616 /nfs/dbraw/zinc/78/96/16/712789616.db2.gz MOLHNCMPUVXYDI-MNOVXSKESA-N 1 0 242.363 1.293 10 0 BDAERO C[C@@H]1CN(c2ccnc3ncccc32)CC[NH2+]1 ZINC000718928357 712789910 /nfs/dbraw/zinc/78/99/10/712789910.db2.gz CBGJVSALWUMSML-SNVBAGLBSA-N 1 0 228.299 1.428 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ccnc3ncccc23)C1 ZINC000718984068 712791498 /nfs/dbraw/zinc/79/14/98/712791498.db2.gz AZAMAXXTEMPKOV-MGCOHNPYSA-N 1 0 228.299 1.779 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccnc2ncccc12 ZINC000718985568 712791521 /nfs/dbraw/zinc/79/15/21/712791521.db2.gz HPBDMNYCJDKHEN-GXSJLCMTSA-N 1 0 228.299 1.792 10 0 BDAERO C[C@@H](NC(=O)Cc1csc(C[NH3+])n1)C1CC1 ZINC000719074978 712795366 /nfs/dbraw/zinc/79/53/66/712795366.db2.gz JWXBZHZGFGKNOY-SSDOTTSWSA-N 1 0 239.344 1.059 10 0 BDAERO CO[C@]1(C[NH2+]C[C@H](O)C(C)(C)C)CCSC1 ZINC000719241416 712801095 /nfs/dbraw/zinc/80/10/95/712801095.db2.gz PDQGXRWNEJXDQT-JQWIXIFHSA-N 1 0 247.404 1.505 10 0 BDAERO CCN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000719375274 712806784 /nfs/dbraw/zinc/80/67/84/712806784.db2.gz YUWFQBDZIICGKD-ZJUUUORDSA-N 1 0 213.325 1.130 10 0 BDAERO C[NH2+]CCCCc1nc([C@H]2CC23CC3)no1 ZINC000719754060 712822849 /nfs/dbraw/zinc/82/28/49/712822849.db2.gz FJACNVGQBACXAP-SECBINFHSA-N 1 0 221.304 1.879 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](CCc2ccns2)C1 ZINC000719863555 712824555 /nfs/dbraw/zinc/82/45/55/712824555.db2.gz BNMNQQVTYDMYCW-VHSXEESVSA-N 1 0 226.345 1.388 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H](C)C(C)(C)OC ZINC000720189973 712829230 /nfs/dbraw/zinc/82/92/30/712829230.db2.gz VRHNDYWGIWHESN-VXGBXAGGSA-N 1 0 247.379 1.567 10 0 BDAERO COC(C)(C)[C@@H](C)[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000720282326 712830375 /nfs/dbraw/zinc/83/03/75/712830375.db2.gz PTQCPZRRMPORLI-SECBINFHSA-N 1 0 239.319 1.394 10 0 BDAERO Cc1conc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000720352964 712833316 /nfs/dbraw/zinc/83/33/16/712833316.db2.gz RLVAVCNCLISEOK-ONGXEEELSA-N 1 0 210.277 1.640 10 0 BDAERO Cc1conc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000720378496 712837224 /nfs/dbraw/zinc/83/72/24/712837224.db2.gz HPFIWZVBAFZRAK-AXFHLTTASA-N 1 0 221.304 1.152 10 0 BDAERO CC1(C)C[C@@H]1[NH2+]C[C@H](O)c1cccnc1 ZINC000380260551 712848813 /nfs/dbraw/zinc/84/88/13/712848813.db2.gz RIVDUKCUPJWEHO-QWRGUYRKSA-N 1 0 206.289 1.503 10 0 BDAERO CCC[C@H](C)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720573725 712852719 /nfs/dbraw/zinc/85/27/19/712852719.db2.gz GHZYSGKVTUZMQH-UWVGGRQHSA-N 1 0 210.325 1.902 10 0 BDAERO C[C@H]([NH2+]CCCCCF)c1cn(C)nn1 ZINC000720598120 712855214 /nfs/dbraw/zinc/85/52/14/712855214.db2.gz ZQWYAOQGUALCNW-VIFPVBQESA-N 1 0 214.288 1.606 10 0 BDAERO Cc1cc(C[N@H+]2C[C@H](O)CC[C@@H]2C)c(C)nn1 ZINC000720609089 712858606 /nfs/dbraw/zinc/85/86/06/712858606.db2.gz YKTKDVSNZJBPNU-GXFFZTMASA-N 1 0 235.331 1.439 10 0 BDAERO C[NH2+]CCN(c1nc2ccccc2[nH]1)C(C)C ZINC000720824000 712867933 /nfs/dbraw/zinc/86/79/33/712867933.db2.gz ONAKWUVMTNYHSJ-UHFFFAOYSA-N 1 0 232.331 1.997 10 0 BDAERO Cc1ccnc(N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)n1 ZINC000720892309 712874210 /nfs/dbraw/zinc/87/42/10/712874210.db2.gz LGGVJCHUBDYZKW-HTQZYQBOSA-N 1 0 246.236 1.111 10 0 BDAERO Cc1cnc(NCC[C@@H]2C[NH2+]C[C@H]2C)nc1 ZINC000721077877 712890128 /nfs/dbraw/zinc/89/01/28/712890128.db2.gz VAARWYKMPKZUHH-GHMZBOCLSA-N 1 0 220.320 1.443 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])CC[N@@H+]1C ZINC000396056859 951473449 /nfs/dbraw/zinc/47/34/49/951473449.db2.gz ZVWWYSJCHHCDOE-MNOVXSKESA-N 1 0 242.363 1.560 10 0 BDAERO C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000385564640 972002744 /nfs/dbraw/zinc/00/27/44/972002744.db2.gz CASYJKDYZMCWEK-CQSZACIVSA-N 1 0 248.326 1.556 10 0 BDAERO CC[N@@H+]1CC[C@H](C[NH2+]CCC(C)(C)C(=O)[O-])C1 ZINC000395617858 972812263 /nfs/dbraw/zinc/81/22/63/972812263.db2.gz RYKGWQZBZZIUEL-LLVKDONJSA-N 1 0 242.363 1.419 10 0 BDAERO C[C@@H](CC(N)=O)[NH2+][C@H]1c2ccccc2OC1(C)C ZINC000235169311 973812190 /nfs/dbraw/zinc/81/21/90/973812190.db2.gz PAOHOKCSEMTZOW-ZANVPECISA-N 1 0 248.326 1.752 10 0 BDAERO C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000691357215 976353722 /nfs/dbraw/zinc/35/37/22/976353722.db2.gz ANWWNRQKFJLUQS-PWSUYJOCSA-N 1 0 240.347 1.123 10 0 BDAERO C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000692664021 976531637 /nfs/dbraw/zinc/53/16/37/976531637.db2.gz ZZEXCXACHDXKRN-IJLUTSLNSA-N 1 0 240.347 1.266 10 0 BDAERO C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000692664028 976531717 /nfs/dbraw/zinc/53/17/17/976531717.db2.gz ZZEXCXACHDXKRN-WOPDTQHZSA-N 1 0 240.347 1.266 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC(C)(C)CC[C@@H]1C[NH3+] ZINC000685954351 538897657 /nfs/dbraw/zinc/89/76/57/538897657.db2.gz MFEXQIMRNDAEBZ-GHMZBOCLSA-N 1 0 247.404 1.963 10 0 BDAERO CC(C)[N@@H+]1CCC(=O)[C@@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685953505 538897974 /nfs/dbraw/zinc/89/79/74/538897974.db2.gz HXKAQAKHMLQKLE-PJXYFTJBSA-N 1 0 225.332 1.996 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)C(C)C)[C@@H](C)C1 ZINC000685955334 538900857 /nfs/dbraw/zinc/90/08/57/538900857.db2.gz XQFHZHPXPJGKOQ-QJPTWQEYSA-N 1 0 247.404 1.976 10 0 BDAERO CN(CC(F)(F)CN)[C@H]1CCCSC1 ZINC000685957159 538903526 /nfs/dbraw/zinc/90/35/26/538903526.db2.gz SGFPKQLJANHAQH-QMMMGPOBSA-N 1 0 224.320 1.408 10 0 BDAERO [NH3+]Cc1c[nH]c(C(Cl)(Cl)Cl)n1 ZINC000685960007 538907254 /nfs/dbraw/zinc/90/72/54/538907254.db2.gz XGPHUZLCBZOCQL-UHFFFAOYSA-N 1 0 214.483 1.695 10 0 BDAERO CCC(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685961756 538908610 /nfs/dbraw/zinc/90/86/10/538908610.db2.gz NTFCGJNWWKFEEC-ZWNOBZJWSA-N 1 0 221.300 1.898 10 0 BDAERO OC[C@@H](CC[NH2+]C1CCC1)[C@H]1CCOC1 ZINC000685963012 538909702 /nfs/dbraw/zinc/90/97/02/538909702.db2.gz DCHPUIIOVFJJEI-MNOVXSKESA-N 1 0 213.321 1.164 10 0 BDAERO OC[C@@H](CC[NH2+]C1CC1)[C@H]1CCCOC1 ZINC000685963145 538910134 /nfs/dbraw/zinc/91/01/34/538910134.db2.gz HOVWFTZWQBERRR-MNOVXSKESA-N 1 0 213.321 1.164 10 0 BDAERO CC(C)(C)[NH2+]CC[C@H](CO)[C@@H]1CCCOC1 ZINC000685963068 538910290 /nfs/dbraw/zinc/91/02/90/538910290.db2.gz GAHQVVVHMCOENC-VXGBXAGGSA-N 1 0 229.364 1.800 10 0 BDAERO CCCCc1cnnn1[C@H]1CCC[NH2+]CC1 ZINC000685952286 538896523 /nfs/dbraw/zinc/89/65/23/538896523.db2.gz CZGDREPRRMATSY-NSHDSACASA-N 1 0 222.336 1.935 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@]2(C)N)c(C)c1 ZINC000685965857 538912234 /nfs/dbraw/zinc/91/22/34/538912234.db2.gz WOMKRVJHPFUOEV-OLZOCXBDSA-N 1 0 220.316 1.408 10 0 BDAERO Cc1cc(C)nc(N[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000038050773 177946774 /nfs/dbraw/zinc/94/67/74/177946774.db2.gz QBEAISVOZAHJNW-MNOVXSKESA-N 1 0 220.320 1.775 10 0 BDAERO CCC(CC)(C[NH3+])NC(=O)C1[C@@H]2CCC[C@H]12 ZINC000132729139 168322990 /nfs/dbraw/zinc/32/29/90/168322990.db2.gz TURUZQDGGLWBAH-ZACCUICWSA-N 1 0 224.348 1.666 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000161626128 349477590 /nfs/dbraw/zinc/47/75/90/349477590.db2.gz ZGUOFCYKCVVZPL-GFCCVEGCSA-N 1 0 206.289 1.286 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H]2CCOC2)c(C)n1C ZINC000052790291 178022141 /nfs/dbraw/zinc/02/21/41/178022141.db2.gz RCGBQAPCZDFHSM-LBPRGKRZSA-N 1 0 222.332 1.768 10 0 BDAERO Cc1cc(C[NH2+]C2CC2)nc(C[C@H]2CCCO2)n1 ZINC000054831950 178018465 /nfs/dbraw/zinc/01/84/65/178018465.db2.gz NSJPLDNCBZERKT-CYBMUJFWSA-N 1 0 247.342 1.759 10 0 BDAERO Cc1cc(CNC[C@H]2CCCC[N@H+]2C)no1 ZINC000054243746 178025418 /nfs/dbraw/zinc/02/54/18/178025418.db2.gz HUFHUKZNLFUXBY-GFCCVEGCSA-N 1 0 223.320 1.557 10 0 BDAERO NC1=NC(=O)O[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000307476638 398170605 /nfs/dbraw/zinc/17/06/05/398170605.db2.gz ADPOGYYWRIIBJU-CYBMUJFWSA-N 1 0 245.282 1.139 10 0 BDAERO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)nn1C ZINC000336672253 178029782 /nfs/dbraw/zinc/02/97/82/178029782.db2.gz AFOSKLXERHKGKZ-JQWIXIFHSA-N 1 0 223.320 1.386 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2O)on1 ZINC000044990856 178033842 /nfs/dbraw/zinc/03/38/42/178033842.db2.gz ASSGGRWWRFGWLC-NEPJUHHUSA-N 1 0 224.304 1.766 10 0 BDAERO CC[C@H](O)C[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000379924532 398176883 /nfs/dbraw/zinc/17/68/83/398176883.db2.gz KHAQXRUQNVTCGS-WOPDTQHZSA-N 1 0 214.353 1.076 10 0 BDAERO Cc1cc(Cl)nc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000095068937 178071883 /nfs/dbraw/zinc/07/18/83/178071883.db2.gz SEVZLFICZXGOCW-MRVPVSSYSA-N 1 0 226.711 1.460 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000649374723 398186082 /nfs/dbraw/zinc/18/60/82/398186082.db2.gz DHDPWJZOASSNIY-WRWGMCAJSA-N 1 0 242.363 1.432 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000649374582 398186630 /nfs/dbraw/zinc/18/66/30/398186630.db2.gz ZJYJPSFAKAODOG-HHHUOAJASA-N 1 0 242.363 1.432 10 0 BDAERO COCC[NH+](CCOC)C[C@H]1CCC[C@@H](O)C1 ZINC000380110059 398187304 /nfs/dbraw/zinc/18/73/04/398187304.db2.gz ZIGCCQZHQKTPLH-QWHCGFSZSA-N 1 0 245.363 1.132 10 0 BDAERO Cc1cc2ncnn2c(N(C)C[C@@H](C)C[NH3+])c1 ZINC000042455528 178098482 /nfs/dbraw/zinc/09/84/82/178098482.db2.gz GDMUYMCTYCGHIH-JTQLQIEISA-N 1 0 233.319 1.069 10 0 BDAERO CC(C)n1ccnc1CN(C)CCC[NH3+] ZINC000649409985 398209271 /nfs/dbraw/zinc/20/92/71/398209271.db2.gz GAKVKLNJGQVMAY-UHFFFAOYSA-N 1 0 210.325 1.245 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)CCO1 ZINC000324428355 398203472 /nfs/dbraw/zinc/20/34/72/398203472.db2.gz AZAAMQGRVMQVLP-UTUOFQBUSA-N 1 0 229.364 1.941 10 0 BDAERO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1C ZINC000386299416 398204959 /nfs/dbraw/zinc/20/49/59/398204959.db2.gz JYEGZJQYVQDGOC-XQQFMLRXSA-N 1 0 226.364 1.316 10 0 BDAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)no1 ZINC000054305496 178134790 /nfs/dbraw/zinc/13/47/90/178134790.db2.gz KSPYJTGWMFNAOC-VIFPVBQESA-N 1 0 223.276 1.311 10 0 BDAERO Cc1cc(NC(=O)[C@@](C)([NH3+])c2ccccc2)no1 ZINC000052881014 178146566 /nfs/dbraw/zinc/14/65/66/178146566.db2.gz FKJDAKGCSAPDBL-ZDUSSCGKSA-N 1 0 245.282 1.796 10 0 BDAERO Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)no1 ZINC000019518425 178149996 /nfs/dbraw/zinc/14/99/96/178149996.db2.gz UCZGKWXEHKMMFF-UHFFFAOYSA-N 1 0 231.255 1.694 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000149655691 192027679 /nfs/dbraw/zinc/02/76/79/192027679.db2.gz KZDPFSQKHAEIAC-HBNTYKKESA-N 1 0 242.363 1.447 10 0 BDAERO C[C@H]([NH3+])c1cncn1[C@H]1CSC[C@@H]1C ZINC000306578991 398213277 /nfs/dbraw/zinc/21/32/77/398213277.db2.gz MOUXXKZOTCKZMB-NRPADANISA-N 1 0 211.334 1.827 10 0 BDAERO CCCN(CC(F)F)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000387081859 398225098 /nfs/dbraw/zinc/22/50/98/398225098.db2.gz SUUJQALNQQWORV-UWVGGRQHSA-N 1 0 248.317 1.865 10 0 BDAERO Cc1cc(NCc2ccncc2)[nH+]cc1N ZINC000036244992 178174220 /nfs/dbraw/zinc/17/42/20/178174220.db2.gz JNQRRPVEZIUBRU-UHFFFAOYSA-N 1 0 214.272 1.979 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NC1CCCCCC1 ZINC000082920430 136222117 /nfs/dbraw/zinc/22/21/17/136222117.db2.gz BLFIWQVCQITDJK-RYUDHWBXSA-N 1 0 224.348 1.953 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCCCCCC1 ZINC000082920382 136222130 /nfs/dbraw/zinc/22/21/30/136222130.db2.gz WGRUSUWQLOFLID-RYUDHWBXSA-N 1 0 224.348 1.907 10 0 BDAERO Cc1cc(N[C@H]2CCC(=O)N[C@H]2C)cc[nH+]1 ZINC000281646361 178188792 /nfs/dbraw/zinc/18/87/92/178188792.db2.gz MZZNUCJSMPEEKW-ONGXEEELSA-N 1 0 219.288 1.469 10 0 BDAERO Cc1cc2ncnn2c(N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038051098 178189483 /nfs/dbraw/zinc/18/94/83/178189483.db2.gz UEANBNSYIYAQMW-QWRGUYRKSA-N 1 0 245.330 1.720 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000164000841 538931227 /nfs/dbraw/zinc/93/12/27/538931227.db2.gz WBEUFYCHIUTYBV-NEPJUHHUSA-N 1 0 244.404 1.192 10 0 BDAERO CCSCC[C@H](O)[C@](C)(CC)C[NH3+] ZINC000164109424 538931278 /nfs/dbraw/zinc/93/12/78/538931278.db2.gz SCDYNQIWLIRGLR-VHSXEESVSA-N 1 0 205.367 1.866 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000421381927 192325873 /nfs/dbraw/zinc/32/58/73/192325873.db2.gz XNCHKXGWWIWDRE-GWCFXTLKSA-N 1 0 245.326 1.908 10 0 BDAERO Cc1noc2ncnc(N[C@H](C)CC[NH3+])c12 ZINC000381143409 398227409 /nfs/dbraw/zinc/22/74/09/398227409.db2.gz NBMRCYSTZKMGQK-ZCFIWIBFSA-N 1 0 221.264 1.075 10 0 BDAERO COC1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000164243508 538932052 /nfs/dbraw/zinc/93/20/52/538932052.db2.gz FHKBAGWMIPCNKE-ZFQMDJOTSA-N 1 0 227.348 1.837 10 0 BDAERO Cc1cc(OCCCCC[NH3+])cc(=O)o1 ZINC000169726415 178209382 /nfs/dbraw/zinc/20/93/82/178209382.db2.gz PGIJIAQWIPKWFD-UHFFFAOYSA-N 1 0 211.261 1.456 10 0 BDAERO Cc1cc([C@@H](C)n2nnnc2C[NH3+])c(C)s1 ZINC000054747086 178233995 /nfs/dbraw/zinc/23/39/95/178233995.db2.gz LTKYNAJNVJBJOO-SSDOTTSWSA-N 1 0 237.332 1.419 10 0 BDAERO Cc1cc([C@@H]([NH3+])c2cncnc2)ccc1F ZINC000052887256 178237340 /nfs/dbraw/zinc/23/73/40/178237340.db2.gz AKAJOQVQTHYWMH-GFCCVEGCSA-N 1 0 217.247 1.972 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)nn1C ZINC000282057624 178252949 /nfs/dbraw/zinc/25/29/49/178252949.db2.gz GPXOBIRLKNCRRL-HBNTYKKESA-N 1 0 223.320 1.557 10 0 BDAERO Cc1cc([C@H]([NH2+]C2CC2)C(N)=O)c(C)s1 ZINC000049687614 178262026 /nfs/dbraw/zinc/26/20/26/178262026.db2.gz YIMTWQNBFVRGNQ-JTQLQIEISA-N 1 0 224.329 1.643 10 0 BDAERO Cc1cc2c(ncnc2N2CCC[NH2+]CC2)s1 ZINC000020319750 178279609 /nfs/dbraw/zinc/27/96/09/178279609.db2.gz FMFQAOPZJIYULK-UHFFFAOYSA-N 1 0 248.355 1.799 10 0 BDAERO Cc1cc2c(ncnc2OC[C@@H]2CC[NH2+]C2)s1 ZINC000104350008 178282159 /nfs/dbraw/zinc/28/21/59/178282159.db2.gz QMQVYXQENUNONU-SECBINFHSA-N 1 0 249.339 1.988 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)[C@@H](C)[C@@H]2[NH3+] ZINC000043636415 178285911 /nfs/dbraw/zinc/28/59/11/178285911.db2.gz QMBOWFHMNMWDQZ-KWQFWETISA-N 1 0 225.313 1.479 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)C[C@@H](C)[C@H]2[NH3+] ZINC000035755719 178285925 /nfs/dbraw/zinc/28/59/25/178285925.db2.gz RDMYCBHAQNSTPW-BXKDBHETSA-N 1 0 239.340 1.727 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)[C@H](C)C[C@@H]2[NH3+] ZINC000035752217 178286640 /nfs/dbraw/zinc/28/66/40/178286640.db2.gz LJVNWGRTNCLBBV-KOLCDFICSA-N 1 0 239.340 1.869 10 0 BDAERO CCSCC[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000366677742 398248856 /nfs/dbraw/zinc/24/88/56/398248856.db2.gz FTIYTUPBUPVUDJ-JTQLQIEISA-N 1 0 240.376 1.764 10 0 BDAERO Cc1cc2nc([C@@H]([NH3+])[C@H](C)O)[nH]c2cc1C ZINC000051847897 178303303 /nfs/dbraw/zinc/30/33/03/178303303.db2.gz QKYMAXPBPOHVMH-KWQFWETISA-N 1 0 219.288 1.560 10 0 BDAERO Cc1cc2nc([C@@H]([NH3+])[C@@H](C)O)[nH]c2cc1C ZINC000051847893 178303369 /nfs/dbraw/zinc/30/33/69/178303369.db2.gz QKYMAXPBPOHVMH-KCJUWKMLSA-N 1 0 219.288 1.560 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000168459898 538945165 /nfs/dbraw/zinc/94/51/65/538945165.db2.gz OZRWPIFZJKXHNA-CHWSQXEVSA-N 1 0 240.391 1.875 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nccn3C2)[C@@H]1C ZINC000381043852 398252504 /nfs/dbraw/zinc/25/25/04/398252504.db2.gz CUGJXNQVHOKRKW-KKOKHZNYSA-N 1 0 219.332 1.832 10 0 BDAERO Cc1ccc(-c2ccc(C[NH3+])c(=O)[nH]2)o1 ZINC000043404322 178324199 /nfs/dbraw/zinc/32/41/99/178324199.db2.gz MJMHQEKCIOLJNY-UHFFFAOYSA-N 1 0 204.229 1.402 10 0 BDAERO Cc1ccc(-c2nc(CC[NH3+])no2)c(C)n1 ZINC000055331717 178334132 /nfs/dbraw/zinc/33/41/32/178334132.db2.gz OSJQZJWWXCESMJ-UHFFFAOYSA-N 1 0 218.260 1.250 10 0 BDAERO COCCC[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000400410033 538948571 /nfs/dbraw/zinc/94/85/71/538948571.db2.gz SBXMLJNYKWUKMV-LLVKDONJSA-N 1 0 209.293 1.197 10 0 BDAERO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H]1CCCN1C ZINC000386355540 398264765 /nfs/dbraw/zinc/26/47/65/398264765.db2.gz VFCARUTYYHKXLI-SDDRHHMPSA-N 1 0 212.337 1.238 10 0 BDAERO [NH3+]C1CCC(C(=O)N(CC(F)F)C2CC2)CC1 ZINC000386244981 398264018 /nfs/dbraw/zinc/26/40/18/398264018.db2.gz UHKAJPMMPSHHOF-UHFFFAOYSA-N 1 0 246.301 1.760 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000386220513 398264168 /nfs/dbraw/zinc/26/41/68/398264168.db2.gz JOVHTAJZHTWPPK-GJZGRUSLSA-N 1 0 248.370 1.578 10 0 BDAERO CC(C)(C)OC(=O)C[C@H]1COCC[C@@H]1[NH3+] ZINC000200603087 538949686 /nfs/dbraw/zinc/94/96/86/538949686.db2.gz LCZHXDHXTTXPQY-IUCAKERBSA-N 1 0 215.293 1.082 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@H](C)C[NH3+])c(O)c1 ZINC000042455199 178377360 /nfs/dbraw/zinc/37/73/60/178377360.db2.gz QFBHFMSRHHKBDH-SNVBAGLBSA-N 1 0 236.315 1.367 10 0 BDAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[C@H]1CO ZINC000378744219 346821695 /nfs/dbraw/zinc/82/16/95/346821695.db2.gz QNBFWFDNRIRTTH-JBLDHEPKSA-N 1 0 209.289 1.571 10 0 BDAERO Cc1ccc(C(=O)N(CC[NH3+])C2CCCC2)o1 ZINC000070943622 178382387 /nfs/dbraw/zinc/38/23/87/178382387.db2.gz XLMSDNGPPHJNBG-UHFFFAOYSA-N 1 0 236.315 1.932 10 0 BDAERO [NH3+][C@H]1CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000381611510 398266921 /nfs/dbraw/zinc/26/69/21/398266921.db2.gz ISURXSGUBWHHEO-ZJUUUORDSA-N 1 0 218.291 1.845 10 0 BDAERO C[C@H](C[NH2+][C@@H](C)c1ccoc1)N1CCOCC1 ZINC000177732451 538951982 /nfs/dbraw/zinc/95/19/82/538951982.db2.gz CZJGGTQRPDTPHV-NEPJUHHUSA-N 1 0 238.331 1.651 10 0 BDAERO CCOC[C@@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000378755301 346825118 /nfs/dbraw/zinc/82/51/18/346825118.db2.gz XPHCHYIRIRLCTH-IJLUTSLNSA-N 1 0 215.337 1.695 10 0 BDAERO Cc1ccc(CCC(=O)NC[C@@H](C)C[NH3+])o1 ZINC000259155534 349560520 /nfs/dbraw/zinc/56/05/20/349560520.db2.gz NEXKQCKQLDVONN-VIFPVBQESA-N 1 0 224.304 1.232 10 0 BDAERO Cc1ccc(C(=O)COCC[NH3+])cc1C ZINC000074494320 178372576 /nfs/dbraw/zinc/37/25/76/178372576.db2.gz OIXUQFBLGWJCMI-UHFFFAOYSA-N 1 0 207.273 1.461 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@H](O)CCCSC ZINC000231743929 538952997 /nfs/dbraw/zinc/95/29/97/538952997.db2.gz KIJSZUZZXUZAQF-ZJUUUORDSA-N 1 0 205.367 1.866 10 0 BDAERO OCC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000381675466 398268182 /nfs/dbraw/zinc/26/81/82/398268182.db2.gz XGPRMYJJEZQFTD-CHWSQXEVSA-N 1 0 227.348 1.242 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000381812146 398273411 /nfs/dbraw/zinc/27/34/11/398273411.db2.gz HYAXQLTXHPBIMX-KXUCPTDWSA-N 1 0 210.321 1.289 10 0 BDAERO COC1CC([C@H]2[NH2+]CCc3nc[nH]c32)C1 ZINC000714504003 538956821 /nfs/dbraw/zinc/95/68/21/538956821.db2.gz AURZIZYDCKIKJN-SFVIPPHHSA-N 1 0 207.277 1.022 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C1=NC(=O)CS1 ZINC000306647749 361836114 /nfs/dbraw/zinc/83/61/14/361836114.db2.gz DGNFYTCULQDHOJ-MRVPVSSYSA-N 1 0 227.333 1.237 10 0 BDAERO [NH3+]CCN1CC[C@H](c2ccc3ccccc3n2)C1 ZINC000616613245 349607581 /nfs/dbraw/zinc/60/75/81/349607581.db2.gz ZTGAPWWRTAKURW-ZDUSSCGKSA-N 1 0 241.338 1.983 10 0 BDAERO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)s1 ZINC000189106904 346859454 /nfs/dbraw/zinc/85/94/54/346859454.db2.gz JUVMWTNEANYOET-SNVBAGLBSA-N 1 0 238.356 1.767 10 0 BDAERO CCC(CC)NC(=O)[C@@H](C)N1CCC[C@@H]1C[NH3+] ZINC000104317021 168381822 /nfs/dbraw/zinc/38/18/22/168381822.db2.gz NNJJAKOKUSGDRT-ZYHUDNBSSA-N 1 0 241.379 1.103 10 0 BDAERO CNc1ccccc1[C@H]1CCN(CC[NH3+])C1 ZINC000616613135 349614263 /nfs/dbraw/zinc/61/42/63/349614263.db2.gz YRBLUJROQWBJAS-NSHDSACASA-N 1 0 219.332 1.476 10 0 BDAERO C[C@H](CO)Nc1cc(N)[nH+]cc1Br ZINC000306655649 361861583 /nfs/dbraw/zinc/86/15/83/361861583.db2.gz KQPVRWFHFJNBLE-RXMQYKEDSA-N 1 0 246.108 1.219 10 0 BDAERO Cc1cc(=O)c(OCc2ccccc2)c(C[NH3+])o1 ZINC000090608966 398279974 /nfs/dbraw/zinc/27/99/74/398279974.db2.gz KESMMQFLKNRPFE-UHFFFAOYSA-N 1 0 245.278 1.986 10 0 BDAERO CNC(=O)[C@H]([NH2+]CCc1ccc(C)cc1)C(C)C ZINC000183638059 538967510 /nfs/dbraw/zinc/96/75/10/538967510.db2.gz AQHUMDJPZLSQLC-CQSZACIVSA-N 1 0 248.370 1.898 10 0 BDAERO CN1Cc2ccc(Br)cc2[C@@H](O)C1 ZINC000146849706 342772304 /nfs/dbraw/zinc/77/23/04/342772304.db2.gz ZVQAYNZGEFWZMW-JTQLQIEISA-N 1 0 242.116 1.928 10 0 BDAERO N[C@@H]1C=[NH+]CC(c2ccc3ncccc3c2)=N1 ZINC000146893533 342773102 /nfs/dbraw/zinc/77/31/02/342773102.db2.gz ULHITNFTSZTBHD-ZDUSSCGKSA-N 1 0 224.267 1.492 10 0 BDAERO [NH3+][C@@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1O ZINC000008699403 342802585 /nfs/dbraw/zinc/80/25/85/342802585.db2.gz QBQQEKHSIRVPES-BDAKNGLRSA-N 1 0 218.083 1.910 10 0 BDAERO [NH3+][C@@H]1CCc2ccc(Br)cc2[C@H]1O ZINC000008699434 342802621 /nfs/dbraw/zinc/80/26/21/342802621.db2.gz PAOFPNNUNGEWLK-NXEZZACHSA-N 1 0 242.116 1.756 10 0 BDAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)cn1 ZINC000188406830 538978481 /nfs/dbraw/zinc/97/84/81/538978481.db2.gz GDMHTRSBKHLZRB-LBPRGKRZSA-N 1 0 231.303 1.271 10 0 BDAERO Cc1[nH+]ccc(N[C@H]2CCOC[C@@H]2O)c1Cl ZINC000624687907 342816604 /nfs/dbraw/zinc/81/66/04/342816604.db2.gz RCSPGKXETUQENB-WPRPVWTQSA-N 1 0 242.706 1.027 10 0 BDAERO C[C@@H](CCCCO)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000378680045 538973529 /nfs/dbraw/zinc/97/35/29/538973529.db2.gz UYRUHQYXNIHDCB-YNEHKIRRSA-N 1 0 229.364 1.821 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000380964828 538994005 /nfs/dbraw/zinc/99/40/05/538994005.db2.gz CIKGDTKJUGJGRF-VXGBXAGGSA-N 1 0 226.364 1.866 10 0 BDAERO C[C@@H]1C[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)CO1 ZINC000401485563 342827974 /nfs/dbraw/zinc/82/79/74/342827974.db2.gz XCJHRIXIYMAQBQ-BXUZGUMPSA-N 1 0 245.326 1.574 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000380242387 538987955 /nfs/dbraw/zinc/98/79/55/538987955.db2.gz NLSIBJRFNPPKGM-AXFHLTTASA-N 1 0 212.337 1.665 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000380242389 538987981 /nfs/dbraw/zinc/98/79/81/538987981.db2.gz NLSIBJRFNPPKGM-DCAQKATOSA-N 1 0 212.337 1.665 10 0 BDAERO CCCN(C(=O)C1(C)CC1)C1CC[NH2+]CC1 ZINC000380548635 538990936 /nfs/dbraw/zinc/99/09/36/538990936.db2.gz JFNVMCCLJXGYLD-UHFFFAOYSA-N 1 0 224.348 1.777 10 0 BDAERO C1C[NH+]=C(N[C@H]2CCCOC2)SC1 ZINC000071023263 361930693 /nfs/dbraw/zinc/93/06/93/361930693.db2.gz VOISHHJJSGJTAJ-QMMMGPOBSA-N 1 0 200.307 1.248 10 0 BDAERO Cc1c[nH+]ccc1N[C@H]1CCC[C@H](O)C1 ZINC000379925275 538982314 /nfs/dbraw/zinc/98/23/14/538982314.db2.gz KWWZTOBWNOPEPJ-QWRGUYRKSA-N 1 0 206.289 1.527 10 0 BDAERO COC1(C[NH2+][C@@H]2CCC[C@H](O)C2)CCCC1 ZINC000381478408 539001721 /nfs/dbraw/zinc/00/17/21/539001721.db2.gz RVNZPAHZEOLVOD-NEPJUHHUSA-N 1 0 227.348 1.839 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCOC1 ZINC000381757059 539006976 /nfs/dbraw/zinc/00/69/76/539006976.db2.gz SKLSBWDPEVVMDZ-UMSGYPCISA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000381263846 538997119 /nfs/dbraw/zinc/99/71/19/538997119.db2.gz SUKACZFRSNHCJZ-IJLUTSLNSA-N 1 0 219.332 1.976 10 0 BDAERO C[C@H](CCCCO)[NH2+][C@H]1CCCC[C@H]1CO ZINC000381287676 538997821 /nfs/dbraw/zinc/99/78/21/538997821.db2.gz ZWVNISCNQAUBLZ-AGIUHOORSA-N 1 0 229.364 1.678 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)CCCCO)c1 ZINC000381348278 538998685 /nfs/dbraw/zinc/99/86/85/538998685.db2.gz ZSSVNVWBODDBJQ-GFCCVEGCSA-N 1 0 225.336 1.332 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000390474275 539022129 /nfs/dbraw/zinc/02/21/29/539022129.db2.gz IKHDZYNUFZCMAY-NWDGAFQWSA-N 1 0 226.364 1.784 10 0 BDAERO CCCC[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000390590189 539026384 /nfs/dbraw/zinc/02/63/84/539026384.db2.gz ZDSXUIOZILTDNU-MNOVXSKESA-N 1 0 248.392 1.046 10 0 BDAERO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CCCN2C)s1 ZINC000391894553 398297679 /nfs/dbraw/zinc/29/76/79/398297679.db2.gz ARZPPFDIYGOOMX-WPRPVWTQSA-N 1 0 240.376 1.591 10 0 BDAERO [NH3+][C@H](C(=O)N[C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000037001044 398298677 /nfs/dbraw/zinc/29/86/77/398298677.db2.gz AOJADTGCKFALGY-AVGNSLFASA-N 1 0 248.326 1.106 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007725 398298974 /nfs/dbraw/zinc/29/89/74/398298974.db2.gz OOXKAWJKQWDZKH-RDDDGLTNSA-N 1 0 242.269 1.879 10 0 BDAERO C[NH2+]C[C@@H]1CCO[C@@H]1c1csc(C)n1 ZINC000127099871 342846276 /nfs/dbraw/zinc/84/62/76/342846276.db2.gz ONVVJNJPQFKIGU-WPRPVWTQSA-N 1 0 212.318 1.749 10 0 BDAERO Clc1csc(N2CCC[NH2+]CC2)n1 ZINC000164868785 342853625 /nfs/dbraw/zinc/85/36/25/342853625.db2.gz BZUYJPSIVWCGHA-UHFFFAOYSA-N 1 0 217.725 1.596 10 0 BDAERO Cc1ccc(C(N)=O)c(N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000051581177 178456306 /nfs/dbraw/zinc/45/63/06/178456306.db2.gz FTQHHAGLLMWSIA-NEPJUHHUSA-N 1 0 247.342 1.776 10 0 BDAERO Cc1csc(C[C@H]2CSC[C@@H]2[NH3+])n1 ZINC000134572661 342869222 /nfs/dbraw/zinc/86/92/22/342869222.db2.gz ZTIHHQWERWNOKU-YUMQZZPRSA-N 1 0 214.359 1.684 10 0 BDAERO [NH3+]C/C=C\C(=O)Nc1ncccc1Cl ZINC000308595542 342857406 /nfs/dbraw/zinc/85/74/06/342857406.db2.gz ROOGROFFFFXHFV-RJRFIUFISA-N 1 0 211.652 1.188 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@H]1CSC[C@@H]1C ZINC000309776776 342895552 /nfs/dbraw/zinc/89/55/52/342895552.db2.gz PYOMCMYRZPCGRK-IUCAKERBSA-N 1 0 241.364 1.095 10 0 BDAERO C[C@@H]1OCC[C@@H]1[N@H+](C)[C@@H]1CCCCC1=O ZINC000134731551 342880124 /nfs/dbraw/zinc/88/01/24/342880124.db2.gz UBDUEHMTLLTGBV-GARJFASQSA-N 1 0 211.305 1.607 10 0 BDAERO [NH3+][C@@H]1COc2ccc(C(F)(F)F)cc2C1 ZINC000016083039 342905784 /nfs/dbraw/zinc/90/57/84/342905784.db2.gz YOLYMEYJBNPXMX-QMMMGPOBSA-N 1 0 217.190 1.968 10 0 BDAERO Nc1ccccc1[C@@H]1CCCN(CC[NH3+])CC1 ZINC000616602238 398322375 /nfs/dbraw/zinc/32/23/75/398322375.db2.gz VQMCLEQJYPKUPW-GFCCVEGCSA-N 1 0 233.359 1.797 10 0 BDAERO Cc1cccc(CC[NH2+]C[C@H](O)C(C)(C)C)n1 ZINC000399826348 342901215 /nfs/dbraw/zinc/90/12/15/342901215.db2.gz VCPWYYXALMFRPB-ZDUSSCGKSA-N 1 0 236.359 1.929 10 0 BDAERO Clc1csc(N[C@H]2CCC[NH2+]C2)n1 ZINC000165305197 342903991 /nfs/dbraw/zinc/90/39/91/342903991.db2.gz ZFFPUNCHJIWVHU-LURJTMIESA-N 1 0 217.725 1.960 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C(C)(C)O ZINC000227224479 342922811 /nfs/dbraw/zinc/92/28/11/342922811.db2.gz VAQRMHWHBUAXMU-LPEHRKFASA-N 1 0 201.310 1.039 10 0 BDAERO CC[C@@](C)(O)CN(CC[NH3+])Cc1ccccc1 ZINC000233962784 342914800 /nfs/dbraw/zinc/91/48/00/342914800.db2.gz NPUCQEUOUWCHHA-CQSZACIVSA-N 1 0 236.359 1.608 10 0 BDAERO COC(=O)C1=C(O)CC[N@H+](CCC(C)C)C1 ZINC000058444199 398324772 /nfs/dbraw/zinc/32/47/72/398324772.db2.gz UZVSJHKTQUUMFG-SNVBAGLBSA-N 1 0 227.304 1.097 10 0 BDAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1cccs1 ZINC000037476268 398327638 /nfs/dbraw/zinc/32/76/38/398327638.db2.gz LRKBIUVCHRRBKY-JGVFFNPUSA-N 1 0 212.318 1.663 10 0 BDAERO C[C@H]([NH3+])[C@H](c1ccsc1)n1ccnc1 ZINC000043124108 342928702 /nfs/dbraw/zinc/92/87/02/342928702.db2.gz QGTOEWALWLJAQS-WCBMZHEXSA-N 1 0 207.302 1.881 10 0 BDAERO CCSCC[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000308550286 346883014 /nfs/dbraw/zinc/88/30/14/346883014.db2.gz XFLDXOBCRVUNQY-GHMZBOCLSA-N 1 0 216.394 1.669 10 0 BDAERO CCC[C@](C)([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000038097129 398336257 /nfs/dbraw/zinc/33/62/57/398336257.db2.gz BPYXSUFQJODCLV-JQWIXIFHSA-N 1 0 228.336 1.189 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc21 ZINC000037566218 398331845 /nfs/dbraw/zinc/33/18/45/398331845.db2.gz RJUKJKBPORQLHC-DGCLKSJQSA-N 1 0 232.327 1.570 10 0 BDAERO O=C(NC[C@H]1Cc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000037566075 398331865 /nfs/dbraw/zinc/33/18/65/398331865.db2.gz VCLFWWIXIDVQMA-QWHCGFSZSA-N 1 0 244.338 1.442 10 0 BDAERO CC[C@@H]1COCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037626489 398333309 /nfs/dbraw/zinc/33/33/09/398333309.db2.gz BDCBEAZHHJXTFR-HTAVTVPLSA-N 1 0 240.347 1.141 10 0 BDAERO CC(C)CCN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037817877 398334671 /nfs/dbraw/zinc/33/46/71/398334671.db2.gz JQFCEDOLYGUTCP-NSHDSACASA-N 1 0 212.337 1.491 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccncc1 ZINC000175330265 346894642 /nfs/dbraw/zinc/89/46/42/346894642.db2.gz CODQZBCFSYBAAU-AWEZNQCLSA-N 1 0 233.359 1.998 10 0 BDAERO [NH3+][C@H]1CCc2cccc(Br)c2[C@H]1O ZINC000019795442 342957770 /nfs/dbraw/zinc/95/77/70/342957770.db2.gz PVQXCCKLFYJJIP-WPRPVWTQSA-N 1 0 242.116 1.756 10 0 BDAERO [NH3+][C@@H]1Cc2cc(Cl)cc(Cl)c2[C@@H]1O ZINC000019795397 342957935 /nfs/dbraw/zinc/95/79/35/342957935.db2.gz UIPIGMAGKVZZEZ-VXNVDRBHSA-N 1 0 218.083 1.910 10 0 BDAERO [NH3+][C@H]1CCCc2cc(F)cc(F)c2[C@H]1O ZINC000019795566 342958305 /nfs/dbraw/zinc/95/83/05/342958305.db2.gz AAGXSOBZYCDVBP-ONGXEEELSA-N 1 0 213.227 1.662 10 0 BDAERO C[C@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)C[C@H]1N(C)C ZINC000299892260 488193344 /nfs/dbraw/zinc/19/33/44/488193344.db2.gz QQTFTUBNICIMCH-UMSGYPCISA-N 1 0 226.364 1.172 10 0 BDAERO CC[NH+](CC)CCOc1ccccc1CO ZINC000020032878 342966694 /nfs/dbraw/zinc/96/66/94/342966694.db2.gz BRQPGDZGIIEVKC-UHFFFAOYSA-N 1 0 223.316 1.900 10 0 BDAERO COC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000020524460 342989952 /nfs/dbraw/zinc/98/99/52/342989952.db2.gz JUMXISKHDBILFF-WDEREUQCSA-N 1 0 215.337 1.959 10 0 BDAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H](O)C(C)(C)C ZINC000305984396 259337304 /nfs/dbraw/zinc/33/73/04/259337304.db2.gz GAKAMPWGHNRZSY-STQMWFEESA-N 1 0 244.423 1.959 10 0 BDAERO [NH3+][C@@H]1CCc2ncnc(C(F)(F)F)c2C1 ZINC000020445747 342985869 /nfs/dbraw/zinc/98/58/69/342985869.db2.gz HBQKAXDOLAIMBS-RXMQYKEDSA-N 1 0 217.194 1.311 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@@H]1[NH3+] ZINC000235333531 343010505 /nfs/dbraw/zinc/01/05/05/343010505.db2.gz BHCKMCOOOIPLJW-MXWKQRLJSA-N 1 0 208.305 1.148 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)OC ZINC000177014354 346920908 /nfs/dbraw/zinc/92/09/08/346920908.db2.gz CDVFAZZTHWUCJO-NSHDSACASA-N 1 0 242.363 1.354 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC000176966615 346919120 /nfs/dbraw/zinc/91/91/20/346919120.db2.gz FJXRKGONNPDHEF-NSHDSACASA-N 1 0 235.331 1.571 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2ccc(CO)cc2)C1 ZINC000144915938 343050236 /nfs/dbraw/zinc/05/02/36/343050236.db2.gz GVJZHYQYADOXRO-CYBMUJFWSA-N 1 0 205.301 1.988 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC(C)(C)CCO ZINC000308808490 346921880 /nfs/dbraw/zinc/92/18/80/346921880.db2.gz PKESVTRKNMOKTE-JTQLQIEISA-N 1 0 217.353 1.392 10 0 BDAERO C(NC1=[NH+]CCCS1)[C@H]1CCSC1 ZINC000228589486 362007083 /nfs/dbraw/zinc/00/70/83/362007083.db2.gz GIIQJBGMRIVGGT-MRVPVSSYSA-N 1 0 216.375 1.822 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc(C)cc(C)c1 ZINC000043392809 343062666 /nfs/dbraw/zinc/06/26/66/343062666.db2.gz MBBNKRCFVWUXSW-NSHDSACASA-N 1 0 207.273 1.866 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])N(C(=O)OC(C)(C)C)C1 ZINC000084237665 343074219 /nfs/dbraw/zinc/07/42/19/343074219.db2.gz VZHHTXZFXGAUDW-NXEZZACHSA-N 1 0 228.336 1.981 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCSC2)CO1 ZINC000401912321 344027049 /nfs/dbraw/zinc/02/70/49/344027049.db2.gz MCSGWZDXKITVFH-UTLUCORTSA-N 1 0 201.335 1.649 10 0 BDAERO [NH3+][C@@H]1CCCN(C2CC(C(F)F)C2)C1 ZINC000306668238 362024945 /nfs/dbraw/zinc/02/49/45/362024945.db2.gz KFPWCEONHVKIGC-QJAFJHJLSA-N 1 0 204.264 1.453 10 0 BDAERO CNc1c(N)c[nH+]c2ccc(COC)cc21 ZINC000584882214 343084034 /nfs/dbraw/zinc/08/40/34/343084034.db2.gz UTOVIVOJZSVMJG-UHFFFAOYSA-N 1 0 217.272 1.427 10 0 BDAERO CNc1c(N)c[nH+]c2c(C)c(C)ccc12 ZINC000584882236 343084649 /nfs/dbraw/zinc/08/46/49/343084649.db2.gz VWDRSYYVIXXKOD-UHFFFAOYSA-N 1 0 201.273 1.897 10 0 BDAERO COc1ccc(C)c2c(N)c(N)cnc12 ZINC000584882625 343085007 /nfs/dbraw/zinc/08/50/07/343085007.db2.gz MHAOTZLICHCUDM-UHFFFAOYSA-N 1 0 203.245 1.547 10 0 BDAERO CC(C)[NH2+]C[C@H](O)C[C@](C)(O)C1CCC1 ZINC000584883018 343085975 /nfs/dbraw/zinc/08/59/75/343085975.db2.gz DVKYAKQGSMTWNZ-NEPJUHHUSA-N 1 0 215.337 1.287 10 0 BDAERO CC[NH2+]C[C@H](O)C[C@@](C)(O)[C@@H](C)CC ZINC000584883525 343086636 /nfs/dbraw/zinc/08/66/36/343086636.db2.gz ROGLKGZOQWUQFH-HBNTYKKESA-N 1 0 203.326 1.144 10 0 BDAERO [NH3+]C[C@H](Nc1ncnc2c1CCC2)C1CCCC1 ZINC000236247095 343088587 /nfs/dbraw/zinc/08/85/87/343088587.db2.gz XPZDANPUSKPWMW-ZDUSSCGKSA-N 1 0 246.358 1.895 10 0 BDAERO CC(C)SCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000576863436 365707366 /nfs/dbraw/zinc/70/73/66/365707366.db2.gz IXISHCVUVNATGU-AXFHLTTASA-N 1 0 242.388 1.324 10 0 BDAERO C[C@H](CN1CCCCC1)[NH2+]CC(C)(C)O ZINC000049501471 343110619 /nfs/dbraw/zinc/11/06/19/343110619.db2.gz BUDHUZVTDWKRII-LLVKDONJSA-N 1 0 214.353 1.221 10 0 BDAERO CC[C@H]1CCC[N@@H+]([C@@H](C)C(N)=S)C1 ZINC000043514106 343115784 /nfs/dbraw/zinc/11/57/84/343115784.db2.gz CBPMCPKJXJHPKF-IUCAKERBSA-N 1 0 200.351 1.783 10 0 BDAERO COC(=O)c1cc([C@H]2CCCC[NH2+]2)nn1C ZINC000260951930 343131602 /nfs/dbraw/zinc/13/16/02/343131602.db2.gz VACYCXLJBGKKAT-MRVPVSSYSA-N 1 0 223.276 1.021 10 0 BDAERO CC[C@@H](C(N)=S)[N@@H+]1CCOC(C)(C)C1 ZINC000043539896 343132567 /nfs/dbraw/zinc/13/25/67/343132567.db2.gz LEMIJTFRMOAZBD-QMMMGPOBSA-N 1 0 216.350 1.162 10 0 BDAERO O=C(c1cc(Cl)ccc1O)N1CC[NH2+]CC1 ZINC000019441323 343141647 /nfs/dbraw/zinc/14/16/47/343141647.db2.gz RVOWFLKZLRAMPS-UHFFFAOYSA-N 1 0 240.690 1.091 10 0 BDAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000127414059 343177731 /nfs/dbraw/zinc/17/77/31/343177731.db2.gz LUIQCOAQWZPDFU-JTQLQIEISA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NC[C@H]([NH3+])c2ccccc2)O1 ZINC000130378242 343180615 /nfs/dbraw/zinc/18/06/15/343180615.db2.gz PULNEVZHWCLDEO-KGYLQXTDSA-N 1 0 248.326 1.370 10 0 BDAERO CCC[NH2+]CCNc1ccc2nccnc2n1 ZINC000094726330 343157189 /nfs/dbraw/zinc/15/71/89/343157189.db2.gz KOSLTNLAHDZXMI-UHFFFAOYSA-N 1 0 231.303 1.436 10 0 BDAERO CN(CC(F)F)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000122460306 343159649 /nfs/dbraw/zinc/15/96/49/343159649.db2.gz CEBYUBMZOHIZLR-MRVPVSSYSA-N 1 0 220.263 1.100 10 0 BDAERO [NH3+]CCC1CCN(c2ncc(F)cn2)CC1 ZINC000128505974 343174704 /nfs/dbraw/zinc/17/47/04/343174704.db2.gz JVKHOBOHUQQUTQ-UHFFFAOYSA-N 1 0 224.283 1.181 10 0 BDAERO C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000144709377 343197880 /nfs/dbraw/zinc/19/78/80/343197880.db2.gz GCSUNIWSZJKUSD-LBPRGKRZSA-N 1 0 233.311 1.967 10 0 BDAERO CCCN(C(=O)[C@@H]1CC[C@H](C)O1)[C@@H]1CC[NH2+]C1 ZINC000157979465 343200212 /nfs/dbraw/zinc/20/02/12/343200212.db2.gz WAYMRVDWPMWENL-TUAOUCFPSA-N 1 0 240.347 1.154 10 0 BDAERO Cc1cnc(C)c(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000165750429 343212295 /nfs/dbraw/zinc/21/22/95/343212295.db2.gz CZPVVLRHVBSZNO-YUMQZZPRSA-N 1 0 208.309 1.631 10 0 BDAERO CCc1cc(N[C@H](C)C[C@@H](C)[NH3+])nc(C)n1 ZINC000165762871 343212315 /nfs/dbraw/zinc/21/23/15/343212315.db2.gz NQALAPADMFCWJB-RKDXNWHRSA-N 1 0 222.336 1.885 10 0 BDAERO Cc1nc(CN2C[C@H](F)C[C@H]2C[NH3+])cs1 ZINC000308942718 136274133 /nfs/dbraw/zinc/27/41/33/136274133.db2.gz 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/nfs/dbraw/zinc/37/39/62/136373962.db2.gz DWRKTNRHXWEDBT-NSHDSACASA-N 1 0 233.315 1.281 10 0 BDAERO C[C@H]([NH3+])c1ccnc(Br)c1 ZINC000044138898 343493136 /nfs/dbraw/zinc/49/31/36/343493136.db2.gz PTAVZIWHCHMOFY-YFKPBYRVSA-N 1 0 201.067 1.864 10 0 BDAERO CC(C)c1nsc(NC[C@H]([NH3+])C2CC2)n1 ZINC000083675870 343495485 /nfs/dbraw/zinc/49/54/85/343495485.db2.gz YKCPFOVNYTUGCE-QMMMGPOBSA-N 1 0 226.349 1.811 10 0 BDAERO CC[C@@H](O)C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000082725508 343461419 /nfs/dbraw/zinc/46/14/19/343461419.db2.gz UQOJODBCVRJHAG-RWMBFGLXSA-N 1 0 226.364 1.316 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2cnoc2)C1 ZINC000616627538 343525877 /nfs/dbraw/zinc/52/58/77/343525877.db2.gz KIFVKEIGZYNZPA-JTQLQIEISA-N 1 0 209.293 1.203 10 0 BDAERO CCS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000158993822 346945130 /nfs/dbraw/zinc/94/51/30/346945130.db2.gz BNGUMJMMPAPLNS-UHFFFAOYSA-N 1 0 217.265 1.078 10 0 BDAERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1Cl ZINC000044400102 343499656 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/nfs/dbraw/zinc/80/76/99/343807699.db2.gz LIIHLGGEVZMUBJ-KBPBESRZSA-N 1 0 216.328 1.857 10 0 BDAERO O=C(C1CC[NH2+]CC1)N1CCC[C@H](C(F)F)C1 ZINC000409430366 343808115 /nfs/dbraw/zinc/80/81/15/343808115.db2.gz QNEUPLNHAXMHQK-JTQLQIEISA-N 1 0 246.301 1.490 10 0 BDAERO C1C[C@H]2COCC[N@@H+](C3CC[NH2+]CC3)[C@H]2C1 ZINC000409430320 343808203 /nfs/dbraw/zinc/80/82/03/343808203.db2.gz VFRJYNBGLZBNRG-AAEUAGOBSA-N 1 0 224.348 1.239 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@H](C(F)F)C1 ZINC000409430726 343809008 /nfs/dbraw/zinc/80/90/08/343809008.db2.gz RDMDTMNRHFFRDH-UWVGGRQHSA-N 1 0 246.301 1.490 10 0 BDAERO CN(C(=O)[C@@H]1CCC[NH2+]1)C1CCSCC1 ZINC000403660080 343811395 /nfs/dbraw/zinc/81/13/95/343811395.db2.gz XEEIUXFTNNJWKM-JTQLQIEISA-N 1 0 228.361 1.092 10 0 BDAERO C1[NH2+]CC1c1nc(C2CCSCC2)no1 ZINC000402047387 343811751 /nfs/dbraw/zinc/81/17/51/343811751.db2.gz LJHYQOPIXNMSIN-UHFFFAOYSA-N 1 0 225.317 1.367 10 0 BDAERO c1cn(C[C@@H]2CCC[NH2+]2)nc1-c1cnccn1 ZINC000409440733 343854639 /nfs/dbraw/zinc/85/46/39/343854639.db2.gz ONYVLGLWXJBVAD-JTQLQIEISA-N 1 0 229.287 1.092 10 0 BDAERO CCOCC1(C)CCN(C(=O)CC[NH3+])CC1 ZINC000409434999 343835667 /nfs/dbraw/zinc/83/56/67/343835667.db2.gz RVZAWVQNNQEOMT-UHFFFAOYSA-N 1 0 228.336 1.000 10 0 BDAERO [NH3+]Cc1cc(COc2ccc(F)cc2)ncn1 ZINC000409436742 343836667 /nfs/dbraw/zinc/83/66/67/343836667.db2.gz ZJODTNXHJKDVFS-UHFFFAOYSA-N 1 0 233.246 1.653 10 0 BDAERO CCn1cc(C[NH2+]C)c(-c2ccccn2)n1 ZINC000409436758 343836675 /nfs/dbraw/zinc/83/66/75/343836675.db2.gz ADVCGVHVHQJLHH-UHFFFAOYSA-N 1 0 216.288 1.684 10 0 BDAERO [NH3+]CCC(=O)N(C1CC1)C1CCSCC1 ZINC000409436017 343836763 /nfs/dbraw/zinc/83/67/63/343836763.db2.gz XRGLLFGEOXDEHW-UHFFFAOYSA-N 1 0 228.361 1.222 10 0 BDAERO [NH2+]=C(NO)[C@H](c1cccs1)N1CCCC1 ZINC000409437598 343841194 /nfs/dbraw/zinc/84/11/94/343841194.db2.gz AHIBFFHYCSCJHP-VIFPVBQESA-N 1 0 225.317 1.841 10 0 BDAERO [NH2+]=C(NO)[C@@H](c1cccs1)N1CCCC1 ZINC000409437595 343841457 /nfs/dbraw/zinc/84/14/57/343841457.db2.gz AHIBFFHYCSCJHP-SECBINFHSA-N 1 0 225.317 1.841 10 0 BDAERO CCc1cc2n(n1)CCN([C@@H]1CCC[NH2+]C1)C2 ZINC000409437409 343842822 /nfs/dbraw/zinc/84/28/22/343842822.db2.gz GIULBVVOOPLRSW-GFCCVEGCSA-N 1 0 234.347 1.013 10 0 BDAERO c1cn([C@H]2CCC[NH2+]C2)nc1-c1ccncc1 ZINC000409439127 343846329 /nfs/dbraw/zinc/84/63/29/343846329.db2.gz HEKRZTATLPGYIT-LBPRGKRZSA-N 1 0 228.299 1.870 10 0 BDAERO [NH3+]Cc1c2c(nn1CC1CC1)CCSC2 ZINC000409437860 343848971 /nfs/dbraw/zinc/84/89/71/343848971.db2.gz JJYTUCDOMJXVBA-UHFFFAOYSA-N 1 0 223.345 1.541 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCOC2)C[C@H](C)O1 ZINC000336733216 537832638 /nfs/dbraw/zinc/83/26/38/537832638.db2.gz GIUDFYZFZIBJRP-RNJOBUHISA-N 1 0 227.348 1.959 10 0 BDAERO O[C@]1(COc2ccc(F)cc2)CCC[NH2+]C1 ZINC000394928229 343883749 /nfs/dbraw/zinc/88/37/49/343883749.db2.gz IFFXXYQAKJNFIP-GFCCVEGCSA-N 1 0 225.263 1.319 10 0 BDAERO CC(C)(C)c1nc([C@@H]2CCC[C@@H]2[NH3+])no1 ZINC000409442152 343857542 /nfs/dbraw/zinc/85/75/42/343857542.db2.gz TVCYBAKQHKGTLT-SFYZADRCSA-N 1 0 209.293 1.962 10 0 BDAERO C[NH2+]Cc1cc(-c2ccccn2)nn1CCF ZINC000409444089 343861675 /nfs/dbraw/zinc/86/16/75/343861675.db2.gz ZUWLKAWKCYWBBY-UHFFFAOYSA-N 1 0 234.278 1.634 10 0 BDAERO CC(C)n1nc(-c2cnccn2)cc1C[NH3+] ZINC000409444044 343864140 /nfs/dbraw/zinc/86/41/40/343864140.db2.gz ZGHFZJGGCOHJBB-UHFFFAOYSA-N 1 0 217.276 1.380 10 0 BDAERO [NH3+]Cc1cc(-c2ccccn2)nn1C(F)F ZINC000409442804 343864632 /nfs/dbraw/zinc/86/46/32/343864632.db2.gz AVMSUXKBKKWRAA-UHFFFAOYSA-N 1 0 224.214 1.799 10 0 BDAERO CCn1nc([C@H]2CCCC[NH2+]2)cc1C(=O)OC ZINC000409442939 343865215 /nfs/dbraw/zinc/86/52/15/343865215.db2.gz DMRZEPVGXSHWDJ-SECBINFHSA-N 1 0 237.303 1.504 10 0 BDAERO C[NH2+]Cc1cc(-c2cnccn2)nn1C(F)F ZINC000409443320 343866667 /nfs/dbraw/zinc/86/66/67/343866667.db2.gz LEHIHZALUDIKFT-UHFFFAOYSA-N 1 0 239.229 1.455 10 0 BDAERO CC(C)n1nc(-c2ccncc2)cc1C[NH3+] ZINC000409444081 343867668 /nfs/dbraw/zinc/86/76/68/343867668.db2.gz ZRRXFIRUHTTWDD-UHFFFAOYSA-N 1 0 216.288 1.985 10 0 BDAERO C[C@H]1C[C@H]1C[NH2+]Cc1cnc2ccnn2c1 ZINC000309825525 343971382 /nfs/dbraw/zinc/97/13/82/343971382.db2.gz XHFONYIPCQJPJD-ONGXEEELSA-N 1 0 216.288 1.475 10 0 BDAERO C[C@H]1SCCN(C2(C[NH3+])CC2)[C@@H]1C ZINC000235686858 344045390 /nfs/dbraw/zinc/04/53/90/344045390.db2.gz NGRUAXCRKSMJOL-RKDXNWHRSA-N 1 0 200.351 1.304 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)C ZINC000092677458 343961276 /nfs/dbraw/zinc/96/12/76/343961276.db2.gz FKDFEUWSONCRMN-LLVKDONJSA-N 1 0 212.337 1.585 10 0 BDAERO O=C(C[NH2+][C@H]1CC[C@H](O)CC1)c1ccc[nH]1 ZINC000257351041 344105960 /nfs/dbraw/zinc/10/59/60/344105960.db2.gz BUDNXJHFJLIBHQ-MGCOHNPYSA-N 1 0 222.288 1.091 10 0 BDAERO CCC[C@H](CC)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233343699 344076931 /nfs/dbraw/zinc/07/69/31/344076931.db2.gz XLIPMYHXTNPCSS-OUAUKWLOSA-N 1 0 212.337 1.537 10 0 BDAERO CC(C)N(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736459 344127806 /nfs/dbraw/zinc/12/78/06/344127806.db2.gz NOWMVRFSLGZGAS-JQWIXIFHSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@H](C[NH3+])Nc1cc(Cl)nnc1Cl ZINC000127307812 344128653 /nfs/dbraw/zinc/12/86/53/344128653.db2.gz ULXAAVLIJCURGC-SCSAIBSYSA-N 1 0 221.091 1.543 10 0 BDAERO Cc1cc(Cl)ccc1CN1CC([NH3+])C1 ZINC000235785698 344132596 /nfs/dbraw/zinc/13/25/96/344132596.db2.gz ARSXPBRDWWUHNG-UHFFFAOYSA-N 1 0 210.708 1.791 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCC(F)(F)CC2)C1 ZINC000634737478 344136162 /nfs/dbraw/zinc/13/61/62/344136162.db2.gz SFSPSRGBJBQVIE-NXEZZACHSA-N 1 0 246.301 1.762 10 0 BDAERO CCCN(CC)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737777 344136806 /nfs/dbraw/zinc/13/68/06/344136806.db2.gz ZDXWZFCAYKTQCC-AAEUAGOBSA-N 1 0 224.348 1.635 10 0 BDAERO CC1CC(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634755087 344211837 /nfs/dbraw/zinc/21/18/37/344211837.db2.gz QUESDGPTCYLOEJ-JJGGINFWSA-N 1 0 222.332 1.291 10 0 BDAERO CC(=O)N[C@@H](C)Cc1ccc(OC2C[NH2+]C2)cc1 ZINC000218083963 344215569 /nfs/dbraw/zinc/21/55/69/344215569.db2.gz NSOBEDKKRDEJDG-JTQLQIEISA-N 1 0 248.326 1.104 10 0 BDAERO [NH3+]C1CN(Cc2ccc(Br)s2)C1 ZINC000083634034 344180863 /nfs/dbraw/zinc/18/08/63/344180863.db2.gz NAVKMLVUJIVYCN-UHFFFAOYSA-N 1 0 247.161 1.654 10 0 BDAERO CC(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616572913 344185333 /nfs/dbraw/zinc/18/53/33/344185333.db2.gz XLBCADGTZKBGJV-KBPBESRZSA-N 1 0 246.354 1.904 10 0 BDAERO C[C@]1(N2C(=O)c3ccccc3C2=O)CC[NH2+]C1 ZINC000230752937 347040171 /nfs/dbraw/zinc/04/01/71/347040171.db2.gz CLSIVKGBGARZEJ-ZDUSSCGKSA-N 1 0 230.267 1.035 10 0 BDAERO C[C@@H]1[C@H](C)SCCN1CC(C)(C)[NH3+] ZINC000220375357 344252163 /nfs/dbraw/zinc/25/21/63/344252163.db2.gz BIALTCZHXRCAKJ-BDAKNGLRSA-N 1 0 202.367 1.550 10 0 BDAERO CC(C)(C[NH3+])C(=O)OCc1ccccc1 ZINC000145458295 344262869 /nfs/dbraw/zinc/26/28/69/344262869.db2.gz GXXVNIJKWQCHBC-UHFFFAOYSA-N 1 0 207.273 1.715 10 0 BDAERO CO[C@@H]1C[C@@H](NC2=[NH+]CCS2)C1(C)C ZINC000234825811 344271092 /nfs/dbraw/zinc/27/10/92/344271092.db2.gz RFGFGRLLVNHHAG-HTQZYQBOSA-N 1 0 214.334 1.492 10 0 BDAERO CC[C@H]1CC[N@@H+]([C@]2(CN)CCSC2)C1 ZINC000166003007 344272234 /nfs/dbraw/zinc/27/22/34/344272234.db2.gz OAHFLOUFYOMSIH-QWRGUYRKSA-N 1 0 214.378 1.553 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000132287316 344297550 /nfs/dbraw/zinc/29/75/50/344297550.db2.gz QFDMJGYMHVHEBJ-GMTAPVOTSA-N 1 0 231.361 1.342 10 0 BDAERO Cc1csc([C@@]2(N)C[C@@H](C)[N@@H+](C)C2)n1 ZINC000127397180 344291627 /nfs/dbraw/zinc/29/16/27/344291627.db2.gz ACGWILRITJIOKF-PSASIEDQSA-N 1 0 211.334 1.330 10 0 BDAERO [NH3+]Cc1ccc(Sc2ncco2)cn1 ZINC000236208498 344319113 /nfs/dbraw/zinc/31/91/13/344319113.db2.gz XRPCPQSNEBITGU-UHFFFAOYSA-N 1 0 207.258 1.680 10 0 BDAERO CC[N@@H+]1CCCC[C@H]1CNC(F)(F)F ZINC000095091341 344333046 /nfs/dbraw/zinc/33/30/46/344333046.db2.gz QSNWKTHNSGDHMK-QMMMGPOBSA-N 1 0 210.243 1.970 10 0 BDAERO O=C(CN1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000061710947 344357805 /nfs/dbraw/zinc/35/78/05/344357805.db2.gz ZBHITOFZUUFJOD-LLVKDONJSA-N 1 0 239.702 1.589 10 0 BDAERO C[C@@H]1C[C@@H](NC2=[NH+]C[C@H](C)S2)CO1 ZINC000402136931 344434207 /nfs/dbraw/zinc/43/42/07/344434207.db2.gz IVXFUEOCZKGGPG-GJMOJQLCSA-N 1 0 200.307 1.245 10 0 BDAERO CCSCCN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600886926 344386186 /nfs/dbraw/zinc/38/61/86/344386186.db2.gz UPXORAGGYDOBHP-MNOVXSKESA-N 1 0 232.393 1.178 10 0 BDAERO Cc1nn(C)c(C[C@@H](F)C[NH3+])c1Cl ZINC000158077179 344397878 /nfs/dbraw/zinc/39/78/78/344397878.db2.gz KTLXTMFIFMKQBS-ZCFIWIBFSA-N 1 0 205.664 1.221 10 0 BDAERO CC[C@@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043426797 344505446 /nfs/dbraw/zinc/50/54/46/344505446.db2.gz RFFKFECHDRMLGS-WOPDTQHZSA-N 1 0 213.321 1.401 10 0 BDAERO CC(C)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000105890123 344471183 /nfs/dbraw/zinc/47/11/83/344471183.db2.gz ZOKLMKBYQARXGZ-GFCCVEGCSA-N 1 0 223.320 1.240 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]([C@@]2(O)CCSC2)C1 ZINC000227513162 344473610 /nfs/dbraw/zinc/47/36/10/344473610.db2.gz PJWCKXBRDBQWCM-OPRDCNLKSA-N 1 0 201.335 1.243 10 0 BDAERO C([NH2+][C@@H]1CCCSC1)[C@@H]1CCOCO1 ZINC000220718353 344570850 /nfs/dbraw/zinc/57/08/50/344570850.db2.gz UKYUILQXIHNMKA-ZJUUUORDSA-N 1 0 217.334 1.235 10 0 BDAERO CN(C(=O)C1(C)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000389381431 344534090 /nfs/dbraw/zinc/53/40/90/344534090.db2.gz QNABFTUBZLLVHX-SNVBAGLBSA-N 1 0 210.321 1.387 10 0 BDAERO OCC1(CC[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000395794671 344564034 /nfs/dbraw/zinc/56/40/34/344564034.db2.gz LUQUZIQMWRWABZ-GHMZBOCLSA-N 1 0 213.321 1.042 10 0 BDAERO COc1cccc([C@](C)(F)C[NH3+])c1F ZINC000158229506 344567981 /nfs/dbraw/zinc/56/79/81/344567981.db2.gz MVTDSRGROQZKJF-SNVBAGLBSA-N 1 0 201.216 1.978 10 0 BDAERO CC[NH2+][C@H]1CCN(C2CCSCC2)C1 ZINC000220775292 344581096 /nfs/dbraw/zinc/58/10/96/344581096.db2.gz KPHFJVWHKQFSKZ-JTQLQIEISA-N 1 0 214.378 1.566 10 0 BDAERO CCCNC(=[NH2+])N[C@H]1CCCSC1 ZINC000220786581 344584208 /nfs/dbraw/zinc/58/42/08/344584208.db2.gz OYIPMHGYDLYLMO-QMMMGPOBSA-N 1 0 201.339 1.406 10 0 BDAERO C[NH2+]Cc1nnc([C@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000249859819 362491364 /nfs/dbraw/zinc/49/13/64/362491364.db2.gz WUYQHNFLMMWTIY-QMSLJYSESA-N 1 0 209.318 1.771 10 0 BDAERO [NH3+]Cc1c(OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000396111229 344605465 /nfs/dbraw/zinc/60/54/65/344605465.db2.gz IUUWOROUQOZWNU-UHFFFAOYSA-N 1 0 236.149 1.952 10 0 BDAERO CCC[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000388682506 344656391 /nfs/dbraw/zinc/65/63/91/344656391.db2.gz HQMHETBQHICSPE-UWVGGRQHSA-N 1 0 203.326 1.144 10 0 BDAERO CCC[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000388682505 344656547 /nfs/dbraw/zinc/65/65/47/344656547.db2.gz HQMHETBQHICSPE-NXEZZACHSA-N 1 0 203.326 1.144 10 0 BDAERO C[C@H]1C[C@@]2(CN1C)[NH2+]C(C)(C)CS2 ZINC000127757855 344644158 /nfs/dbraw/zinc/64/41/58/344644158.db2.gz KJQPHNVOODMSLY-WCBMZHEXSA-N 1 0 200.351 1.522 10 0 BDAERO C[N@H+](CCn1cc(N)cn1)Cc1ccccc1 ZINC000050614613 344724470 /nfs/dbraw/zinc/72/44/70/344724470.db2.gz JKVQSWLGWYXXNF-UHFFFAOYSA-N 1 0 230.315 1.597 10 0 BDAERO Nc1cc[nH+]cc1C[C@@H](O)C(F)(F)Cl ZINC000158718300 344731183 /nfs/dbraw/zinc/73/11/83/344731183.db2.gz QRRRHOWVEJQAPD-SSDOTTSWSA-N 1 0 222.622 1.399 10 0 BDAERO CO[C@@H]1CCCC[C@]12[NH2+]CCc1nc[nH]c12 ZINC000400375234 537854883 /nfs/dbraw/zinc/85/48/83/537854883.db2.gz INBZUVNQQZHADV-PWSUYJOCSA-N 1 0 221.304 1.340 10 0 BDAERO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1CO ZINC000382007915 347066652 /nfs/dbraw/zinc/06/66/52/347066652.db2.gz BUKGCKDSGFIODM-MELADBBJSA-N 1 0 219.328 1.978 10 0 BDAERO OCCN(CC[NH2+]C1CC1)Cc1ccccc1 ZINC000050515550 344703858 /nfs/dbraw/zinc/70/38/58/344703858.db2.gz PFDDXNMPBSOIKN-UHFFFAOYSA-N 1 0 234.343 1.233 10 0 BDAERO CC[C@H]([NH3+])c1cccc(S(C)(=O)=O)c1 ZINC000115437931 344709294 /nfs/dbraw/zinc/70/92/94/344709294.db2.gz MDAOFGKPCKLGQB-JTQLQIEISA-N 1 0 213.302 1.500 10 0 BDAERO CC1(C)C[C@H]1[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000400377087 537855415 /nfs/dbraw/zinc/85/54/15/537855415.db2.gz JFQONVHFUFXZPI-BXKDBHETSA-N 1 0 205.305 1.817 10 0 BDAERO CCOC(=O)c1ccc(N2C[C@H]([NH3+])C[C@H]2C)nc1 ZINC000600962837 344836992 /nfs/dbraw/zinc/83/69/92/344836992.db2.gz NMTRJDCZDQRZBY-MWLCHTKSSA-N 1 0 249.314 1.184 10 0 BDAERO Cc1nc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)[nH]c1C ZINC000628176161 344900917 /nfs/dbraw/zinc/90/09/17/344900917.db2.gz YNXBOFOLVJRIJF-GXFFZTMASA-N 1 0 248.374 1.695 10 0 BDAERO CO[C@H](C)CNC1=[NH+]C(C)(C)CS1 ZINC000224392908 344909917 /nfs/dbraw/zinc/90/99/17/344909917.db2.gz DGLOVMWXPPNRTN-SSDOTTSWSA-N 1 0 202.323 1.492 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249169678 537873187 /nfs/dbraw/zinc/87/31/87/537873187.db2.gz ASMOZIOLYZZICM-UPJWGTAASA-N 1 0 227.348 1.912 10 0 BDAERO Cc1nc(N[C@H](C)C[NH3+])ccc1Br ZINC000235466154 344920858 /nfs/dbraw/zinc/92/08/58/344920858.db2.gz XDPZSQNUOCKVRE-ZCFIWIBFSA-N 1 0 244.136 1.912 10 0 BDAERO Cc1nc(Br)ccc1N[C@H](C)C[NH3+] ZINC000235466359 344921301 /nfs/dbraw/zinc/92/13/01/344921301.db2.gz BNWUSCSUANBKPI-ZCFIWIBFSA-N 1 0 244.136 1.912 10 0 BDAERO C[C@H]1OCC[C@H]1SC1CC[NH2+]CC1 ZINC000235634941 344960900 /nfs/dbraw/zinc/96/09/00/344960900.db2.gz VRAXTDYSBNFXAL-PSASIEDQSA-N 1 0 201.335 1.649 10 0 BDAERO C[C@H]1OCC[C@@]1(C)NC1=[NH+]CCS1 ZINC000235593736 344950693 /nfs/dbraw/zinc/95/06/93/344950693.db2.gz ORVYSPHPZMTXES-VXNVDRBHSA-N 1 0 200.307 1.246 10 0 BDAERO O[C@@]1(Cc2ccc(Cl)cc2)CC[NH2+]C1 ZINC000033856553 344978752 /nfs/dbraw/zinc/97/87/52/344978752.db2.gz JEIKNPSCGAVTRT-LLVKDONJSA-N 1 0 211.692 1.607 10 0 BDAERO [NH3+][C@@H](CCO)c1c(F)cc(F)cc1F ZINC000044233010 344988329 /nfs/dbraw/zinc/98/83/29/344988329.db2.gz MQKCHQRNQCXDPH-QMMMGPOBSA-N 1 0 205.179 1.486 10 0 BDAERO COc1cc(F)c([C@H]([NH3+])CCO)cc1OC ZINC000044232989 344988344 /nfs/dbraw/zinc/98/83/44/344988344.db2.gz GBLNOVXCEMNLOY-SECBINFHSA-N 1 0 229.251 1.225 10 0 BDAERO CC(=O)Nc1ccc([C@@H]([NH3+])CCO)cc1 ZINC000044232287 344988541 /nfs/dbraw/zinc/98/85/41/344988541.db2.gz SFUZUNPXDQCVGQ-NSHDSACASA-N 1 0 208.261 1.027 10 0 BDAERO COc1cc([C@H]([NH3+])CCO)cc(Cl)c1O ZINC000044233823 344989120 /nfs/dbraw/zinc/98/91/20/344989120.db2.gz SGBYLWKGLAEFGC-MRVPVSSYSA-N 1 0 231.679 1.436 10 0 BDAERO Cc1cc(C)n(-c2cccc(CC[NH3+])c2)n1 ZINC000044399117 345050535 /nfs/dbraw/zinc/05/05/35/345050535.db2.gz WDVFXLSZHQTLKJ-UHFFFAOYSA-N 1 0 215.300 1.990 10 0 BDAERO C[C@@H](C(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)C(C)(C)C ZINC000675053573 537885909 /nfs/dbraw/zinc/88/59/09/537885909.db2.gz IIYZZVNCAJIFOA-XWLWVQCSSA-N 1 0 224.348 1.332 10 0 BDAERO Cc1ccnc(C[NH3+])c1OC(F)(F)F ZINC000238469295 345056317 /nfs/dbraw/zinc/05/63/17/345056317.db2.gz DTOPBGHCAPZPFP-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO [NH3+]Cc1c(F)ccnc1OC(F)(F)F ZINC000238607205 345091907 /nfs/dbraw/zinc/09/19/07/345091907.db2.gz CJYVJZLBCUXMSC-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CCS1 ZINC000155688644 345096610 /nfs/dbraw/zinc/09/66/10/345096610.db2.gz HTDZMEAMCDUJQB-QMMMGPOBSA-N 1 0 240.328 1.316 10 0 BDAERO CC(C)CC[NH+]1CCC(n2cncn2)CC1 ZINC000156558856 345175545 /nfs/dbraw/zinc/17/55/45/345175545.db2.gz NPTRMIPRYMNBCJ-UHFFFAOYSA-N 1 0 222.336 1.961 10 0 BDAERO C[C@H]1CN(Cc2c(Cl)cnn2C)C[C@@H]1C[NH3+] ZINC000634998224 345198234 /nfs/dbraw/zinc/19/82/34/345198234.db2.gz CIKBCJCBMIWCPY-IUCAKERBSA-N 1 0 242.754 1.100 10 0 BDAERO C[C@H]1CN(Cc2cncs2)C[C@@H]1C[NH3+] ZINC000634999608 345200723 /nfs/dbraw/zinc/20/07/23/345200723.db2.gz WZHAAVNZECMOND-IUCAKERBSA-N 1 0 211.334 1.170 10 0 BDAERO Cc1nnc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)[nH]1 ZINC000408469835 345322654 /nfs/dbraw/zinc/32/26/54/345322654.db2.gz UWHHCVJOYTVRJR-XROYCOCOSA-N 1 0 236.319 1.331 10 0 BDAERO CC(=O)Nc1ccc(CC[NH2+]C2CC2)cc1 ZINC000071444078 537892613 /nfs/dbraw/zinc/89/26/13/537892613.db2.gz CWIZZPRMAQCMHY-UHFFFAOYSA-N 1 0 218.300 1.940 10 0 BDAERO C[C@@H]1CN2C(=[NH+][C@H](C)C[C@@H]2C(F)F)N1 ZINC000720978137 537895456 /nfs/dbraw/zinc/89/54/56/537895456.db2.gz QKODRPPRHXYVHA-FSDSQADBSA-N 1 0 203.236 1.062 10 0 BDAERO Cc1ccc([C@@H]([NH3+])CCN2CCOCC2)cc1 ZINC000020273919 178857524 /nfs/dbraw/zinc/85/75/24/178857524.db2.gz JCRZUWPXLQNFJI-AWEZNQCLSA-N 1 0 234.343 1.717 10 0 BDAERO CCC1CCN(C[C@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000042447426 168527892 /nfs/dbraw/zinc/52/78/92/168527892.db2.gz QUAYHSWSTKLPLJ-CHWSQXEVSA-N 1 0 226.364 1.485 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCC3(CCC3)C2)C1 ZINC000158884905 345386792 /nfs/dbraw/zinc/38/67/92/345386792.db2.gz PDKIBILZGBGHMK-QWRGUYRKSA-N 1 0 222.332 1.516 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccnnc1 ZINC000132489831 345332120 /nfs/dbraw/zinc/33/21/20/345332120.db2.gz IWOQXJANSFQHRE-LBPRGKRZSA-N 1 0 248.330 1.033 10 0 BDAERO CN(c1ccncc1Cl)C(C)(C)C[NH3+] ZINC000228850530 345408441 /nfs/dbraw/zinc/40/84/41/345408441.db2.gz BSHWRNADGHVXKR-UHFFFAOYSA-N 1 0 213.712 1.909 10 0 BDAERO C[C@@H]1OCC[C@@H]1NC1=[NH+]CCCS1 ZINC000134578521 345415883 /nfs/dbraw/zinc/41/58/83/345415883.db2.gz BJSSXUVHOPRYEB-YUMQZZPRSA-N 1 0 200.307 1.246 10 0 BDAERO CC[C@@H]([NH3+])CNc1nc(C(F)(F)F)ns1 ZINC000228789934 345397616 /nfs/dbraw/zinc/39/76/16/345397616.db2.gz HZXRQFNFDCKMOE-SCSAIBSYSA-N 1 0 240.254 1.706 10 0 BDAERO C[C@@H]1SCC[NH2+][C@H]1c1ccc(F)cn1 ZINC000158815261 345506833 /nfs/dbraw/zinc/50/68/33/345506833.db2.gz LEQVQLXAADVMRK-OIBJUYFYSA-N 1 0 212.293 1.987 10 0 BDAERO CC[C@@H]1CC[C@@H](C)N1C(=O)n1cc[n+](C)c1 ZINC000136382859 345508677 /nfs/dbraw/zinc/50/86/77/345508677.db2.gz AFXYPNIPPAMHCT-GHMZBOCLSA-N 1 0 222.312 1.544 10 0 BDAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cc[nH]n1)CC2 ZINC000093586122 345662572 /nfs/dbraw/zinc/66/25/72/345662572.db2.gz GFWLFAJSBJBMOV-DGCLKSJQSA-N 1 0 235.331 1.537 10 0 BDAERO Cc1[nH]c2ccccc2c1C[C@H]1C[C@H](O)C[NH2+]1 ZINC000112972977 345752983 /nfs/dbraw/zinc/75/29/83/345752983.db2.gz FOXOLDXWEBBKHB-MNOVXSKESA-N 1 0 230.311 1.742 10 0 BDAERO CC(=O)N(C)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000113688928 345754290 /nfs/dbraw/zinc/75/42/90/345754290.db2.gz RSANCMWWCLHFIU-UHFFFAOYSA-N 1 0 246.354 1.786 10 0 BDAERO COC(=O)c1cc2c(cc1F)CC[C@@H]([NH3+])C2 ZINC000113787146 345755157 /nfs/dbraw/zinc/75/51/57/345755157.db2.gz LNLAKRVCRCPHIB-SECBINFHSA-N 1 0 223.247 1.428 10 0 BDAERO Cc1ncc2c(cccc2N2CC[NH2+]CC2)n1 ZINC000113818765 345755199 /nfs/dbraw/zinc/75/51/99/345755199.db2.gz MPKLQDHWNDPEOG-UHFFFAOYSA-N 1 0 228.299 1.348 10 0 BDAERO CCCC(=O)N(C)c1cccc(OCC[NH3+])c1 ZINC000020225149 168534696 /nfs/dbraw/zinc/53/46/96/168534696.db2.gz DNKUAJTUYFTNBJ-UHFFFAOYSA-N 1 0 236.315 1.787 10 0 BDAERO CC(C)c1nccc(N2CCC[C@H]2C[NH3+])n1 ZINC000212411540 345733639 /nfs/dbraw/zinc/73/36/39/345733639.db2.gz LUPKKMGAZBQMFL-JTQLQIEISA-N 1 0 220.320 1.528 10 0 BDAERO COc1ccc2c3c1[C@@](O)(C[NH3+])CC[C@@H]3CO2 ZINC000136517103 345814809 /nfs/dbraw/zinc/81/48/09/345814809.db2.gz AMCNPZIROMXQMR-OQPBUACISA-N 1 0 235.283 1.111 10 0 BDAERO O[C@@H](COCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000034006248 345815463 /nfs/dbraw/zinc/81/54/63/345815463.db2.gz DCJOWWMUIMVZHV-KBPBESRZSA-N 1 0 235.327 1.706 10 0 BDAERO C[C@](O)(C[NH3+])c1ccc(F)cc1Br ZINC000235736058 345817335 /nfs/dbraw/zinc/81/73/35/345817335.db2.gz WAAMUQGPOIYHOL-VIFPVBQESA-N 1 0 248.095 1.754 10 0 BDAERO C[C@@](O)(COC1CC[NH2+]CC1)c1ccccc1 ZINC000034206818 345819411 /nfs/dbraw/zinc/81/94/11/345819411.db2.gz QZYFOOHHZWNYEW-CQSZACIVSA-N 1 0 235.327 1.663 10 0 BDAERO C[C@@H]1CCc2nc(C3CC[NH2+]CC3)cn2C1 ZINC000258046403 345780094 /nfs/dbraw/zinc/78/00/94/345780094.db2.gz AHEJVHBNDWFIDU-SNVBAGLBSA-N 1 0 219.332 1.932 10 0 BDAERO c1coc(CNc2ncc3c(n2)CC[NH2+]C3)c1 ZINC000257658279 345780491 /nfs/dbraw/zinc/78/04/91/345780491.db2.gz BJPNOXVWQVRJJR-UHFFFAOYSA-N 1 0 230.271 1.327 10 0 BDAERO [NH3+]CC[C@](O)(c1ccc(F)cc1)c1ccccn1 ZINC000034338154 345821599 /nfs/dbraw/zinc/82/15/99/345821599.db2.gz HXNWXLFXCXFWAL-AWEZNQCLSA-N 1 0 246.285 1.805 10 0 BDAERO CC(=O)N(C)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000034362704 345822258 /nfs/dbraw/zinc/82/22/58/345822258.db2.gz AQVPSKYQMCFDGE-OLZOCXBDSA-N 1 0 224.348 1.872 10 0 BDAERO O[C@H](c1cccnc1)C12CCC(CC1)[NH2+]2 ZINC000140001887 345850302 /nfs/dbraw/zinc/85/03/02/345850302.db2.gz JZHDEZDVBMDRHG-MOENNCHZSA-N 1 0 204.273 1.400 10 0 BDAERO C[C@]1(O)CC[N@@H+]([C@@H]2CCCCCC2=O)C1 ZINC000235769198 345852110 /nfs/dbraw/zinc/85/21/10/345852110.db2.gz RDFLFYSTSMPEAB-PWSUYJOCSA-N 1 0 211.305 1.345 10 0 BDAERO N#Cc1ccc([S@@](=O)CC2CC[NH2+]CC2)nc1 ZINC000218515684 345853157 /nfs/dbraw/zinc/85/31/57/345853157.db2.gz DPYMQZSFUWARRG-KRWDZBQOSA-N 1 0 249.339 1.060 10 0 BDAERO C[C@H]1C[NH2+]CCN1Cc1n[nH]c2ccccc21 ZINC000169090024 345835861 /nfs/dbraw/zinc/83/58/61/345835861.db2.gz LVMFTJPDGXHKSM-JTQLQIEISA-N 1 0 230.315 1.357 10 0 BDAERO Cc1nnsc1C[N@@H+]1CCC[C@H]1CCCO ZINC000381430368 345867832 /nfs/dbraw/zinc/86/78/32/345867832.db2.gz WPPUZJHMNWFBFQ-JTQLQIEISA-N 1 0 241.360 1.583 10 0 BDAERO O=C(C[C@@H]1CCCC[NH2+]1)c1ccncn1 ZINC000307061744 537920495 /nfs/dbraw/zinc/92/04/95/537920495.db2.gz FSNPQKQPIOGAHF-VIFPVBQESA-N 1 0 205.261 1.192 10 0 BDAERO C[C@H](c1nccs1)[N@@H+]1CC[C@H](CO)C1 ZINC000082946626 345914446 /nfs/dbraw/zinc/91/44/46/345914446.db2.gz RSQKOCBODUBLMY-BDAKNGLRSA-N 1 0 212.318 1.518 10 0 BDAERO CCOC[C@@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000083904227 345919915 /nfs/dbraw/zinc/91/99/15/345919915.db2.gz VSFUCMTZLULLGZ-LBPRGKRZSA-N 1 0 240.347 1.014 10 0 BDAERO [NH3+]CC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000083931626 345920778 /nfs/dbraw/zinc/92/07/78/345920778.db2.gz FYUYELFOBUNGQD-NSHDSACASA-N 1 0 219.288 1.094 10 0 BDAERO c1cnc2[nH]c(CC3CC[NH2+]CC3)nc2c1 ZINC000086573200 345936815 /nfs/dbraw/zinc/93/68/15/345936815.db2.gz LEQQEXPIUXGBRP-UHFFFAOYSA-N 1 0 216.288 1.500 10 0 BDAERO Cc1occc1SC[C@@H]1C[NH2+]CCO1 ZINC000235824727 345937201 /nfs/dbraw/zinc/93/72/01/345937201.db2.gz FSXXLTASHAABHO-VIFPVBQESA-N 1 0 213.302 1.669 10 0 BDAERO Cc1nc(NCC(F)(F)F)cc(N)[nH+]1 ZINC000087808090 345941947 /nfs/dbraw/zinc/94/19/47/345941947.db2.gz PJPJQCYFNHHXQI-UHFFFAOYSA-N 1 0 206.171 1.341 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000300297996 346014385 /nfs/dbraw/zinc/01/43/85/346014385.db2.gz KVCUZBZMPCGNRI-JHJVBQTASA-N 1 0 245.363 1.057 10 0 BDAERO CC(C)(C)OC(=O)NC[C@H](O)[C@H]1CCCC[NH2+]1 ZINC000076688697 537935357 /nfs/dbraw/zinc/93/53/57/537935357.db2.gz TYYSODOEIAWRCY-ZJUUUORDSA-N 1 0 244.335 1.014 10 0 BDAERO C[C@@H]1CCC[C@@H](C)N1NC1=[NH+]CCS1 ZINC000148830950 346057383 /nfs/dbraw/zinc/05/73/83/346057383.db2.gz YBXJUBSJZYUUMA-RKDXNWHRSA-N 1 0 213.350 1.857 10 0 BDAERO CCC(C)(C)NC(=O)N1CC([C@@H](C)[NH3+])C1 ZINC000719752063 537933971 /nfs/dbraw/zinc/93/39/71/537933971.db2.gz WHGPVLNGVDYKAK-MRVPVSSYSA-N 1 0 213.325 1.164 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]2O)C1 ZINC000250478907 537940291 /nfs/dbraw/zinc/94/02/91/537940291.db2.gz VBZLWBJHNDMIKL-YVECIDJPSA-N 1 0 227.348 1.695 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC000390480741 346064737 /nfs/dbraw/zinc/06/47/37/346064737.db2.gz LFXADHOIXNHGIN-LLVKDONJSA-N 1 0 223.320 1.557 10 0 BDAERO NNc1[nH+]cnc2c1cnn2C1CCCC1 ZINC000082287067 537942102 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ZINC000250229178 362797329 /nfs/dbraw/zinc/79/73/29/362797329.db2.gz DCQBZYRHSJRMEU-LQHUWPKJSA-N 1 0 203.351 1.517 10 0 BDAERO CC1(C)CN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CCCO1 ZINC000310474176 347288339 /nfs/dbraw/zinc/28/83/39/347288339.db2.gz JOHVYAMHKSGKMX-QWRGUYRKSA-N 1 0 240.347 1.141 10 0 BDAERO CO[C@@H]([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000388285196 347290581 /nfs/dbraw/zinc/29/05/81/347290581.db2.gz PXXHWOXWKKKWQS-JLLWLGSASA-N 1 0 229.364 1.797 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](CC)[C@H]1CCOC1 ZINC000310551433 347294065 /nfs/dbraw/zinc/29/40/65/347294065.db2.gz URLIXNXTVUKGPB-STQMWFEESA-N 1 0 245.363 1.275 10 0 BDAERO C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000250454029 362804974 /nfs/dbraw/zinc/80/49/74/362804974.db2.gz WDEVTXFLMOBNIE-ZJUUUORDSA-N 1 0 200.351 1.033 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@H]1Nc1nccs1 ZINC000250587536 362810894 /nfs/dbraw/zinc/81/08/94/362810894.db2.gz ZZTYGDRFGSPZME-BWZBUEFSSA-N 1 0 213.306 1.060 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1S(C)(=O)=O ZINC000250749611 362818746 /nfs/dbraw/zinc/81/87/46/362818746.db2.gz WIRDZOQTTQPRJU-OPRDCNLKSA-N 1 0 219.350 1.198 10 0 BDAERO CO[C@@H]([C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000388322545 347318494 /nfs/dbraw/zinc/31/84/94/347318494.db2.gz XXYZGZNENQULBX-JHEVNIALSA-N 1 0 227.348 1.693 10 0 BDAERO Cc1cccc2c1S(=O)(=O)CCC[C@H]2[NH3+] ZINC000037665950 179222690 /nfs/dbraw/zinc/22/26/90/179222690.db2.gz OTIVBUVJWSJGQL-SNVBAGLBSA-N 1 0 225.313 1.562 10 0 BDAERO Cc1cccc2c1S(=O)(=O)[C@H](C)[C@@H]2[NH3+] ZINC000043636702 179222839 /nfs/dbraw/zinc/22/28/39/179222839.db2.gz ARHCGLOEDBETPN-APPZFPTMSA-N 1 0 211.286 1.171 10 0 BDAERO C[NH2+][C@@H]1CCCN([C@H]2CCSC2)C1 ZINC000250781216 362821565 /nfs/dbraw/zinc/82/15/65/362821565.db2.gz XYJOZXAYBIBOIM-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)[C@H](C)O1 ZINC000571432999 323144645 /nfs/dbraw/zinc/14/46/45/323144645.db2.gz MXBQGLNCHUPBGL-KXNHARMFSA-N 1 0 229.364 1.797 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)C ZINC000616568617 347450216 /nfs/dbraw/zinc/45/02/16/347450216.db2.gz CDEFBOAVQSWXMI-NXEZZACHSA-N 1 0 212.337 1.537 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)C ZINC000616568625 347450361 /nfs/dbraw/zinc/45/03/61/347450361.db2.gz CDEFBOAVQSWXMI-ZJUUUORDSA-N 1 0 212.337 1.537 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1[S@](=O)C1CCCC1 ZINC000251099170 362838311 /nfs/dbraw/zinc/83/83/11/362838311.db2.gz JQZXGJBWDPYPOT-GIPNMCIBSA-N 1 0 201.335 1.558 10 0 BDAERO Cc1ccccc1-c1cc(N2CC[C@@H]([NH3+])C2)n[nH]1 ZINC000070460235 179235120 /nfs/dbraw/zinc/23/51/20/179235120.db2.gz WABMJDCYIWGMPR-LLVKDONJSA-N 1 0 242.326 1.923 10 0 BDAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=S ZINC000036677782 347435392 /nfs/dbraw/zinc/43/53/92/347435392.db2.gz ZFUQARNCJXWVAH-KXUCPTDWSA-N 1 0 214.378 1.887 10 0 BDAERO CC[C@H]1CCN(C(=O)C=C(C)C)C[C@H]1[NH3+] ZINC000616568440 347448328 /nfs/dbraw/zinc/44/83/28/347448328.db2.gz BNCIONJJPAXDEQ-WDEREUQCSA-N 1 0 210.321 1.538 10 0 BDAERO Cc1ccccc1C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000062966743 179246507 /nfs/dbraw/zinc/24/65/07/179246507.db2.gz UFVOTFRQCGPKNB-CYBMUJFWSA-N 1 0 246.354 1.814 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O)c1cccc(OC)c1OC ZINC000036779405 347576624 /nfs/dbraw/zinc/57/66/24/347576624.db2.gz UOZOTRXQQHBYMP-KOLCDFICSA-N 1 0 225.288 1.475 10 0 BDAERO Cc1ccccc1CCN1C[C@H]([NH3+])CC1=O ZINC000057939491 179263274 /nfs/dbraw/zinc/26/32/74/179263274.db2.gz ACKUVDJQUHIUNE-GFCCVEGCSA-N 1 0 218.300 1.097 10 0 BDAERO CC[NH+]1CCC([S@](=N)(=O)C(C)C)CC1 ZINC000616569199 347592008 /nfs/dbraw/zinc/59/20/08/347592008.db2.gz RSMGOGVBOJXWSU-CQSZACIVSA-N 1 0 218.366 1.926 10 0 BDAERO CC[C@H](C)[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000592392287 347776194 /nfs/dbraw/zinc/77/61/94/347776194.db2.gz VJCXNWMWKAWFIV-QWRGUYRKSA-N 1 0 200.326 1.047 10 0 BDAERO CCc1c(C)cc2nc([C@H]3CCC[NH2+]3)nn2c1O ZINC000725243200 537992189 /nfs/dbraw/zinc/99/21/89/537992189.db2.gz PJMVZJHHFWWGRZ-SNVBAGLBSA-N 1 0 246.314 1.730 10 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O=C(C1CCCCC1)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000616570917 348078584 /nfs/dbraw/zinc/07/85/84/348078584.db2.gz IBTQNEGWGQJOPR-OLZOCXBDSA-N 1 0 236.359 1.920 10 0 BDAERO Cc1cccnc1-c1nnc(CCC[NH3+])o1 ZINC000051813790 179356720 /nfs/dbraw/zinc/35/67/20/179356720.db2.gz VPNBILFBUMLANE-UHFFFAOYSA-N 1 0 218.260 1.331 10 0 BDAERO C[NH2+]CCCCN(C)C(=O)c1ccccc1 ZINC000197025693 348083996 /nfs/dbraw/zinc/08/39/96/348083996.db2.gz KPDLGKIMPBTNJP-UHFFFAOYSA-N 1 0 220.316 1.758 10 0 BDAERO O=c1cc([C@@H]2CCC[NH2+]2)nc(CC2CC2)[nH]1 ZINC000669382205 537997889 /nfs/dbraw/zinc/99/78/89/537997889.db2.gz ITQBEWTZXYCZDI-VIFPVBQESA-N 1 0 219.288 1.559 10 0 BDAERO Cc1cccnc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000051813543 179366827 /nfs/dbraw/zinc/36/68/27/179366827.db2.gz CFBUCNMXAMYPRI-QWRGUYRKSA-N 1 0 233.315 1.390 10 0 BDAERO CC(C)(C)OC(=O)NC[C@H]1[NH2+]CCC[C@H]1F ZINC000725244937 538000230 /nfs/dbraw/zinc/00/02/30/538000230.db2.gz BUJUCNKLBVLRPO-RKDXNWHRSA-N 1 0 232.299 1.601 10 0 BDAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000251348647 362865011 /nfs/dbraw/zinc/86/50/11/362865011.db2.gz QCXCBHOUZFKIBM-SDDRHHMPSA-N 1 0 242.363 1.448 10 0 BDAERO CC[C@H](C)S(=O)(=O)[C@@H]1CC[C@@H]([NH3+])[C@H]1C ZINC000251363125 362866903 /nfs/dbraw/zinc/86/69/03/362866903.db2.gz PHPJUIJLQRERQU-SGIHWFKDSA-N 1 0 219.350 1.326 10 0 BDAERO Cc1cccnc1CNC(=O)c1c[nH+]ccc1N ZINC000127755805 179382424 /nfs/dbraw/zinc/38/24/24/179382424.db2.gz FENIEZQZMPAMOV-UHFFFAOYSA-N 1 0 242.282 1.297 10 0 BDAERO Cc1c(C[NH2+][C@H]2CCS[C@@H]2C)cnn1C ZINC000220831556 490148458 /nfs/dbraw/zinc/14/84/58/490148458.db2.gz QOJROROJBGJWBJ-KOLCDFICSA-N 1 0 225.361 1.712 10 0 BDAERO Cc1cccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000051883199 179395818 /nfs/dbraw/zinc/39/58/18/179395818.db2.gz XMBMQYFOKWLJJK-LLVKDONJSA-N 1 0 206.289 1.768 10 0 BDAERO Cc1cccnc1OC[C@@H]1CCCC[NH2+]1 ZINC000051883517 179395432 /nfs/dbraw/zinc/39/54/32/179395432.db2.gz UTTKZQJOJUNWFE-NSHDSACASA-N 1 0 206.289 1.911 10 0 BDAERO Cc1cccnc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129058808 179393183 /nfs/dbraw/zinc/39/31/83/179393183.db2.gz JLTVPTAFQOFUIC-VIFPVBQESA-N 1 0 219.288 1.184 10 0 BDAERO C[C@H]1CC[N@H+](CC[C@H]2CSCC[NH2+]2)C1 ZINC000251758032 362907489 /nfs/dbraw/zinc/90/74/89/362907489.db2.gz TVUVRFIVMTXWAJ-QWRGUYRKSA-N 1 0 214.378 1.423 10 0 BDAERO CCC(CC)(CO)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000088176364 362918733 /nfs/dbraw/zinc/91/87/33/362918733.db2.gz VUQJIDVYECBXIC-VXGBXAGGSA-N 1 0 229.364 1.678 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1CCC[NH2+]CC1 ZINC000236629139 187396742 /nfs/dbraw/zinc/39/67/42/187396742.db2.gz SSCNIZRQEBGXJU-LLVKDONJSA-N 1 0 212.337 1.491 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H]1C[NH3+] ZINC000725246081 538004545 /nfs/dbraw/zinc/00/45/45/538004545.db2.gz QXWJIAKUWZOJAK-RKDXNWHRSA-N 1 0 232.299 1.683 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H]1C[NH3+] ZINC000725246080 538005189 /nfs/dbraw/zinc/00/51/89/538005189.db2.gz QXWJIAKUWZOJAK-IUCAKERBSA-N 1 0 232.299 1.683 10 0 BDAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CCCC(=O)C1 ZINC000725245889 538005311 /nfs/dbraw/zinc/00/53/11/538005311.db2.gz YVYMKKIEAGXLDT-LBPRGKRZSA-N 1 0 227.304 1.416 10 0 BDAERO C[C@@H]1CCCCN1c1cc(N)c(N)c[nH+]1 ZINC000669382988 538006803 /nfs/dbraw/zinc/00/68/03/538006803.db2.gz QIFSCVZNPVQURZ-MRVPVSSYSA-N 1 0 206.293 1.625 10 0 BDAERO C[C@]([NH3+])(CN1CCSCC1)C1CC1 ZINC000037479193 348617605 /nfs/dbraw/zinc/61/76/05/348617605.db2.gz BZYGYLFKNILZQC-JTQLQIEISA-N 1 0 200.351 1.163 10 0 BDAERO C[C@@]([NH3+])(C(=O)NCc1ccccc1)C1CC1 ZINC000037478758 348617636 /nfs/dbraw/zinc/61/76/36/348617636.db2.gz JDRMLYFANZLPAH-ZDUSSCGKSA-N 1 0 218.300 1.430 10 0 BDAERO COC(=O)[C@]1(C)O[C@@]12CCC[C@@H]([NH+](C)C)C2 ZINC000669383578 538010559 /nfs/dbraw/zinc/01/05/59/538010559.db2.gz SKZHONAOOLWOIX-ADEWGFFLSA-N 1 0 227.304 1.191 10 0 BDAERO CCCc1nc([C@@H]2CC[NH2+]C2)cc(=O)[nH]1 ZINC000669383682 538011123 /nfs/dbraw/zinc/01/11/23/538011123.db2.gz WYVFYPITLSVXLI-MRVPVSSYSA-N 1 0 207.277 1.212 10 0 BDAERO CN(C)c1ccc2c(c1)N(C)C[C@]21C[C@H]1[NH3+] ZINC000725246995 538010831 /nfs/dbraw/zinc/01/08/31/538010831.db2.gz DIIIMHWXTSNYRE-CHWSQXEVSA-N 1 0 217.316 1.171 10 0 BDAERO [NH3+][C@@H]1C[C@]12CNc1cc(Br)ccc12 ZINC000725247702 538013460 /nfs/dbraw/zinc/01/34/60/538013460.db2.gz UXHVNSJAFVDQKV-NXEZZACHSA-N 1 0 239.116 1.843 10 0 BDAERO CCc1ccc(CN(C)C(=O)[C@@H](C)[NH2+]C)cc1 ZINC000054072518 348888219 /nfs/dbraw/zinc/88/82/19/348888219.db2.gz OBEVYHIDXKBJQQ-LLVKDONJSA-N 1 0 234.343 1.815 10 0 BDAERO C[C@H](NC(=O)C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000035690793 187413457 /nfs/dbraw/zinc/41/34/57/187413457.db2.gz DIXQBYTWBLRHDK-GXSJLCMTSA-N 1 0 210.321 1.433 10 0 BDAERO COC(=O)[C@]1(c2cc(C)ccc2C)CC[NH2+]C1 ZINC000616574880 349082178 /nfs/dbraw/zinc/08/21/78/349082178.db2.gz ZJVROFRLJOAYBS-CQSZACIVSA-N 1 0 233.311 1.708 10 0 BDAERO C/C=C/C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000616572604 349061738 /nfs/dbraw/zinc/06/17/38/349061738.db2.gz SVGUWROCELPEGP-RIAPOHOLSA-N 1 0 236.237 1.301 10 0 BDAERO C[C@H](C(=O)N[C@@]12CC[C@H]1C[NH2+]C2)C(C)(C)C ZINC000616572793 349063906 /nfs/dbraw/zinc/06/39/06/349063906.db2.gz OVPUZDVGWNROKW-GBIKHYSHSA-N 1 0 224.348 1.537 10 0 BDAERO CC[C@H](C)[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248372980 349125384 /nfs/dbraw/zinc/12/53/84/349125384.db2.gz FFHYFCHQQJKGIB-TUAOUCFPSA-N 1 0 214.353 1.172 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000248374919 349126384 /nfs/dbraw/zinc/12/63/84/349126384.db2.gz VBSWJDZFYQOHER-OLZOCXBDSA-N 1 0 228.380 1.828 10 0 BDAERO COC(=O)CCCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000599440882 349178704 /nfs/dbraw/zinc/17/87/04/349178704.db2.gz UNFNUWFTSKWOTJ-WDEREUQCSA-N 1 0 229.320 1.175 10 0 BDAERO Cc1csc(NCC2CC[NH2+]CC2)n1 ZINC000044509237 179788692 /nfs/dbraw/zinc/78/86/92/179788692.db2.gz KFRSICOKWZKEPQ-UHFFFAOYSA-N 1 0 211.334 1.863 10 0 BDAERO COC(=O)CCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250435355 349171022 /nfs/dbraw/zinc/17/10/22/349171022.db2.gz WJKOJTPFKTYONB-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO C[C@H]1C[C@H](NC(=O)C2CCC([NH3+])CC2)CCO1 ZINC000235705455 538035709 /nfs/dbraw/zinc/03/57/09/538035709.db2.gz LHVHNEUTKLRENH-WNYYMSAVSA-N 1 0 240.347 1.188 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccnn1C1CCCC1 ZINC000725253588 538037442 /nfs/dbraw/zinc/03/74/42/538037442.db2.gz SPASRIQRBAUWPD-GFCCVEGCSA-N 1 0 223.320 1.641 10 0 BDAERO Cn1c2c(nc1C(C)(C)F)CCC[C@@H]2[NH3+] ZINC000725253280 538036303 /nfs/dbraw/zinc/03/63/03/538036303.db2.gz AEWNJKXAXFRAPN-ZETCQYMHSA-N 1 0 211.284 1.961 10 0 BDAERO CCOc1ccc2c(c1)[C@@H](C[NH3+])CCO2 ZINC000082940500 538037926 /nfs/dbraw/zinc/03/79/26/538037926.db2.gz XBLGJEJYNRJPRP-SECBINFHSA-N 1 0 207.273 1.910 10 0 BDAERO Cc1n[nH]c(C)c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000054240705 179829337 /nfs/dbraw/zinc/82/93/37/179829337.db2.gz LFPFRSHFDJJZTF-LLVKDONJSA-N 1 0 222.336 1.780 10 0 BDAERO O[C@H]1CC[NH2+]CC[C@@H]1Oc1ccccc1F ZINC000616580679 349258803 /nfs/dbraw/zinc/25/88/03/349258803.db2.gz ZZVXCJHNGLDUTB-JQWIXIFHSA-N 1 0 225.263 1.317 10 0 BDAERO FC1(CN2CCC[NH2+]CC2)CCCCC1 ZINC000616580841 349259685 /nfs/dbraw/zinc/25/96/85/349259685.db2.gz VGTOWYBUHYFFDM-UHFFFAOYSA-N 1 0 214.328 1.954 10 0 BDAERO C[C@H]1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000211673109 349279302 /nfs/dbraw/zinc/27/93/02/349279302.db2.gz KJUJFXNZAAIFQZ-VHSXEESVSA-N 1 0 228.336 1.899 10 0 BDAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccno1)CC2 ZINC000160818976 349328244 /nfs/dbraw/zinc/32/82/44/349328244.db2.gz GAFNKUOXGOSGRW-DGCLKSJQSA-N 1 0 236.315 1.802 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@H+](C[C@@H]1CCOC1)CC2 ZINC000160818146 349328262 /nfs/dbraw/zinc/32/82/62/349328262.db2.gz HAJAEHDJQMUFBD-IHRRRGAJSA-N 1 0 239.359 1.650 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCC[C@@H](O)C2)cn1 ZINC000382249249 349330809 /nfs/dbraw/zinc/33/08/09/349330809.db2.gz URSVMLOYHQNDKN-NWDGAFQWSA-N 1 0 221.304 1.178 10 0 BDAERO COCCn1c2cc(N)ccc2c2c1C[NH2+]CC2 ZINC000725253904 538039456 /nfs/dbraw/zinc/03/94/56/538039456.db2.gz QIAWXPFPKTUBQW-UHFFFAOYSA-N 1 0 245.326 1.516 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1cnn(C(C)C)c1 ZINC000061683567 349388909 /nfs/dbraw/zinc/38/89/09/349388909.db2.gz RDDIMAATOMQSGH-JTQLQIEISA-N 1 0 224.308 1.530 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cn[nH]c1 ZINC000616586626 349400244 /nfs/dbraw/zinc/40/02/44/349400244.db2.gz ZCHMUGNGQFDDPQ-ZDUSSCGKSA-N 1 0 243.314 1.342 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CC[C@@H]1C ZINC000309036176 349370279 /nfs/dbraw/zinc/37/02/79/349370279.db2.gz GBWFYFZONYPZKT-TUAOUCFPSA-N 1 0 215.337 1.552 10 0 BDAERO CC(C)N(CCO)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055127983 187437168 /nfs/dbraw/zinc/43/71/68/187437168.db2.gz LXGPCCLPIDZTBT-NEPJUHHUSA-N 1 0 242.363 1.123 10 0 BDAERO C[C@H](Nc1ncnc2c1CCC2)[C@H]1CCC[NH2+]C1 ZINC000061277705 349373754 /nfs/dbraw/zinc/37/37/54/349373754.db2.gz CZNBAGBHWIRKCQ-QWRGUYRKSA-N 1 0 246.358 1.765 10 0 BDAERO [NH3+]CC1CCN(c2ncnc3c2CCC3)CC1 ZINC000061277685 349373782 /nfs/dbraw/zinc/37/37/82/349373782.db2.gz LYJOYRQKZJKBCL-UHFFFAOYSA-N 1 0 232.331 1.140 10 0 BDAERO 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/nfs/dbraw/zinc/16/23/72/350162372.db2.gz TZPRCZPSZNXYRA-NSHDSACASA-N 1 0 245.388 1.261 10 0 BDAERO Cc1csc2nc(C)c(C[NH2+]CCO)n12 ZINC000037250470 180117221 /nfs/dbraw/zinc/11/72/21/180117221.db2.gz UQMQCNWJJDPQOU-UHFFFAOYSA-N 1 0 225.317 1.095 10 0 BDAERO Cc1csc2nc(C)c(C[NH2+]C[C@@H](C)O)n12 ZINC000037257645 180117907 /nfs/dbraw/zinc/11/79/07/180117907.db2.gz HIFVPVBQKZVAQO-MRVPVSSYSA-N 1 0 239.344 1.483 10 0 BDAERO C[C@H](C[NH3+])CNc1ccccc1S(C)(=O)=O ZINC000083387546 350192251 /nfs/dbraw/zinc/19/22/51/350192251.db2.gz XIAJQONYGZLTGX-SECBINFHSA-N 1 0 242.344 1.097 10 0 BDAERO Cc1[nH+]cc(N2CCCCC2)n1CCO ZINC000039105772 180164705 /nfs/dbraw/zinc/16/47/05/180164705.db2.gz FFSOHKGQYCGJPE-UHFFFAOYSA-N 1 0 209.293 1.174 10 0 BDAERO Cc1ncc(CNC(=O)[C@](C)([NH3+])C2CC2)s1 ZINC000040998495 180150447 /nfs/dbraw/zinc/15/04/47/180150447.db2.gz NQCRMFNPEVPQFG-LLVKDONJSA-N 1 0 239.344 1.195 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2CCC[C@H](O)C2)n1 ZINC000054790653 180190983 /nfs/dbraw/zinc/19/09/83/180190983.db2.gz LXWCQVSLUUMYMR-PWSUYJOCSA-N 1 0 221.304 1.178 10 0 BDAERO Cc1nccc(C[NH2+]C2CCC(CO)CC2)n1 ZINC000302569470 180187551 /nfs/dbraw/zinc/18/75/51/180187551.db2.gz ALBDCVDZASUCHA-UHFFFAOYSA-N 1 0 235.331 1.426 10 0 BDAERO Cc1nccc(C[NH2+]CCc2ccccn2)n1 ZINC000038037849 180189601 /nfs/dbraw/zinc/18/96/01/180189601.db2.gz QCJVGHBQDLWVGK-UHFFFAOYSA-N 1 0 228.299 1.512 10 0 BDAERO Cc1ncccc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000309289495 180220729 /nfs/dbraw/zinc/22/07/29/180220729.db2.gz VTGCEKPYXUUWMR-GFCCVEGCSA-N 1 0 220.316 1.594 10 0 BDAERO Cc1cccc(Cc2cc(C[NH3+])ncn2)c1 ZINC000074141484 350238646 /nfs/dbraw/zinc/23/86/46/350238646.db2.gz PYBMHPAHWGISOE-UHFFFAOYSA-N 1 0 213.284 1.835 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@H]2N)cc1C ZINC000211542812 538077229 /nfs/dbraw/zinc/07/72/29/538077229.db2.gz GHVSKSGHKHMVCT-GHMZBOCLSA-N 1 0 206.289 1.018 10 0 BDAERO C[C@@H]1COCCN1[C@@H]1CCCCCC1=O ZINC000037661131 350283627 /nfs/dbraw/zinc/28/36/27/350283627.db2.gz IRTPAEWHZHVJDS-GHMZBOCLSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CCN1C ZINC000252195146 538085598 /nfs/dbraw/zinc/08/55/98/538085598.db2.gz VKOBQQPVVGITRH-XQHKEYJVSA-N 1 0 226.364 1.362 10 0 BDAERO Cc1nccn1Cc1ccc(CC[NH3+])cc1 ZINC000082968833 180269620 /nfs/dbraw/zinc/26/96/20/180269620.db2.gz IWSDORNVMYKHSD-UHFFFAOYSA-N 1 0 215.300 1.741 10 0 BDAERO CN1CCC[C@]2(C1)[NH2+]CCc1occc12 ZINC000212354079 538088199 /nfs/dbraw/zinc/08/81/99/538088199.db2.gz FFMUPBOXLWRFNZ-GFCCVEGCSA-N 1 0 206.289 1.346 10 0 BDAERO Cc1nccnc1[S@@](=O)C[C@H]1CCCC[NH2+]1 ZINC000095068789 180283697 /nfs/dbraw/zinc/28/36/97/180283697.db2.gz AWSYLYLMFDOTLX-QLJPJBMISA-N 1 0 239.344 1.035 10 0 BDAERO C[C@@H]1C[S@](=O)[C@H]2CCC(C)(C)[C@@H]2[NH2+]1 ZINC000251856241 362954112 /nfs/dbraw/zinc/95/41/12/362954112.db2.gz RZSNLWZOGXVWLJ-VXFNFUGZSA-N 1 0 201.335 1.284 10 0 BDAERO Cc1ncsc1CC[C@@]1(C[NH3+])CCOC1 ZINC000054637697 180311214 /nfs/dbraw/zinc/31/12/14/180311214.db2.gz LRQKQBOMJWXCSX-NSHDSACASA-N 1 0 226.345 1.750 10 0 BDAERO Cc1ncsc1CCOc1cc(C[NH3+])ccn1 ZINC000035719775 180311616 /nfs/dbraw/zinc/31/16/16/180311616.db2.gz ODIYRDWSGLCAKE-UHFFFAOYSA-N 1 0 249.339 1.927 10 0 BDAERO Cc1ncsc1CCOCCC(N)=[NH2+] ZINC000019430276 180311620 /nfs/dbraw/zinc/31/16/20/180311620.db2.gz SLNVQCYRGHVONQ-UHFFFAOYSA-N 1 0 213.306 1.337 10 0 BDAERO CCCNC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725264271 538090525 /nfs/dbraw/zinc/09/05/25/538090525.db2.gz UKZRYOVJWKLPEI-NSHDSACASA-N 1 0 239.363 1.618 10 0 BDAERO COCCC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264222 538090624 /nfs/dbraw/zinc/09/06/24/538090624.db2.gz GVMZMQUNSNERAN-UHFFFAOYSA-N 1 0 236.315 1.855 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1c1noc(-c2ccncc2)n1 ZINC000076051620 350346993 /nfs/dbraw/zinc/34/69/93/350346993.db2.gz BJBQBJKNUXIXGE-ZJUUUORDSA-N 1 0 230.271 1.726 10 0 BDAERO CC(C)NC(=O)c1cn[nH]c1[C@H]1CCCC[NH2+]1 ZINC000725263947 538090680 /nfs/dbraw/zinc/09/06/80/538090680.db2.gz VVKDHAXPVCCSLZ-SNVBAGLBSA-N 1 0 236.319 1.363 10 0 BDAERO Cc1ccnc(C[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000327966274 350365777 /nfs/dbraw/zinc/36/57/77/350365777.db2.gz DXGZTIHURGQOMB-LBPRGKRZSA-N 1 0 222.332 1.887 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000042545997 180326769 /nfs/dbraw/zinc/32/67/69/180326769.db2.gz RWRAYECFZWCLKZ-NXEZZACHSA-N 1 0 225.361 1.806 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000042545998 180326941 /nfs/dbraw/zinc/32/69/41/180326941.db2.gz RWRAYECFZWCLKZ-VHSXEESVSA-N 1 0 225.361 1.806 10 0 BDAERO CCN1CCO[C@H]([C@@H](O)C(C)(C)C)C1 ZINC000226090006 350398755 /nfs/dbraw/zinc/39/87/55/350398755.db2.gz QEBPJTJQSUYPBA-VHSXEESVSA-N 1 0 201.310 1.114 10 0 BDAERO Cc1nn(C)c(N(C)[C@H](C)C(C)C)c1C[NH3+] ZINC000036787813 180352556 /nfs/dbraw/zinc/35/25/56/180352556.db2.gz ZHRBIJOBNNPEBE-SNVBAGLBSA-N 1 0 224.352 1.668 10 0 BDAERO Cc1nn(C)c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1N ZINC000049564255 180359864 /nfs/dbraw/zinc/35/98/64/180359864.db2.gz VKBFENLBGPXGPO-GHMZBOCLSA-N 1 0 249.362 1.349 10 0 BDAERO C[C@H]1CSCCN1[C@@]1(C[NH3+])CCSC1 ZINC000226393794 350426764 /nfs/dbraw/zinc/42/67/64/350426764.db2.gz LIROYOBWLHVZQW-VHSXEESVSA-N 1 0 232.418 1.258 10 0 BDAERO CC1(C)C[NH+](CC(N)=S)CC(C)(C)O1 ZINC000226426192 350430055 /nfs/dbraw/zinc/43/00/55/350430055.db2.gz OFAISODXYXKISE-UHFFFAOYSA-N 1 0 216.350 1.162 10 0 BDAERO Cc1nn(C)c(Sc2ccncn2)c1CC[NH3+] ZINC000104430461 180362346 /nfs/dbraw/zinc/36/23/46/180362346.db2.gz CGRVUYDXPUTULT-UHFFFAOYSA-N 1 0 249.343 1.171 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2cccnc2)CC1 ZINC000616592555 350466862 /nfs/dbraw/zinc/46/68/62/350466862.db2.gz BSSDFQOVFIKBSZ-GFCCVEGCSA-N 1 0 206.289 1.865 10 0 BDAERO [NH3+]CC1(C(=O)c2occc2Br)CC1 ZINC000226796426 350455965 /nfs/dbraw/zinc/45/59/65/350455965.db2.gz JINGNCRJMAUCFO-UHFFFAOYSA-N 1 0 244.088 1.964 10 0 BDAERO CCC[C@@H](C)C(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000725264945 538092553 /nfs/dbraw/zinc/09/25/53/538092553.db2.gz ZLRYLOFGJZOXOB-SECBINFHSA-N 1 0 246.301 1.490 10 0 BDAERO O[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616592628 350467905 /nfs/dbraw/zinc/46/79/05/350467905.db2.gz DRTQCINUDYUXIF-GFCCVEGCSA-N 1 0 207.273 1.227 10 0 BDAERO CC(=O)Nc1cccc([C@@H]2CC[NH2+]CCO2)c1 ZINC000616592767 350470105 /nfs/dbraw/zinc/47/01/05/350470105.db2.gz FXPDPMNSWHVOOK-ZDUSSCGKSA-N 1 0 234.299 1.696 10 0 BDAERO CCn1ncc2cncc(C3=CC[NH2+]CC3)c21 ZINC000725265958 538093802 /nfs/dbraw/zinc/09/38/02/538093802.db2.gz BGCGAFHMNCJYQE-UHFFFAOYSA-N 1 0 228.299 1.828 10 0 BDAERO Nc1ccc([C@@H]2CC[N@H+](CCO)CCO2)cc1 ZINC000616593028 350493375 /nfs/dbraw/zinc/49/33/75/350493375.db2.gz IFXNMTVAPOAXPW-ZDUSSCGKSA-N 1 0 236.315 1.025 10 0 BDAERO Cc1nn2ccn(CC(C)C)c2c1C[NH3+] ZINC000409437407 350481436 /nfs/dbraw/zinc/48/14/36/350481436.db2.gz GIDWCJFDEIGORV-UHFFFAOYSA-N 1 0 206.293 1.559 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1c1noc(-c2ccco2)n1 ZINC000409440240 350482189 /nfs/dbraw/zinc/48/21/89/350482189.db2.gz KDEMVECFULJTCU-SFYZADRCSA-N 1 0 219.244 1.924 10 0 BDAERO C[NH2+]Cc1c(-c2cnccn2)n[nH]c1C(C)C 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/nfs/dbraw/zinc/11/23/26/351112326.db2.gz SLRNNRKCZMUBES-GFCCVEGCSA-N 1 0 228.299 1.206 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ncccn2)C1 ZINC000616632728 351113753 /nfs/dbraw/zinc/11/37/53/351113753.db2.gz YODGVUMQHPQSHM-SNVBAGLBSA-N 1 0 220.320 1.221 10 0 BDAERO CC[N@@H+]1CCN[C@H](c2cccc(NC(C)=O)c2)C1 ZINC000616633069 351114577 /nfs/dbraw/zinc/11/45/77/351114577.db2.gz ZFZKTYZRDPCHJV-AWEZNQCLSA-N 1 0 247.342 1.611 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cc[nH]n2)C1 ZINC000616634384 351116874 /nfs/dbraw/zinc/11/68/74/351116874.db2.gz QZULTBNQMHGJNN-JTQLQIEISA-N 1 0 208.309 1.155 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000628466634 358459514 /nfs/dbraw/zinc/45/95/14/358459514.db2.gz FFKZCLCDAXMFKE-QWHCGFSZSA-N 1 0 227.348 1.696 10 0 BDAERO C[C@H](C[NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000628466645 358459526 /nfs/dbraw/zinc/45/95/26/358459526.db2.gz FOOVYNOPRBROQM-XBFCOCLRSA-N 1 0 235.327 1.530 10 0 BDAERO C[S@](=O)Nc1cccc2c1CC[NH2+]C2 ZINC000306810790 351078761 /nfs/dbraw/zinc/07/87/61/351078761.db2.gz VGMNVCIBNNMTFN-AWEZNQCLSA-N 1 0 210.302 1.038 10 0 BDAERO [NH3+]CCN1CCCCC[C@H]1c1ccnnc1 ZINC000616624871 351092890 /nfs/dbraw/zinc/09/28/90/351092890.db2.gz IEULONMJXTVAFE-LBPRGKRZSA-N 1 0 220.320 1.352 10 0 BDAERO OCC[N@@H+]1CCC[C@H](c2ncco2)CC1 ZINC000616627787 351096959 /nfs/dbraw/zinc/09/69/59/351096959.db2.gz NNMXQGPPWSOIEG-JTQLQIEISA-N 1 0 210.277 1.236 10 0 BDAERO CNc1cccc([C@@H]2COCCN2CC[NH3+])c1 ZINC000616640159 351145159 /nfs/dbraw/zinc/14/51/59/351145159.db2.gz DTFYGHKIRZGIMR-ZDUSSCGKSA-N 1 0 235.331 1.060 10 0 BDAERO C[C@@H](Nc1cnc(Cl)cn1)[C@H](C)[NH3+] ZINC000306838253 351148724 /nfs/dbraw/zinc/14/87/24/351148724.db2.gz WZKURCMKSNSDPJ-NTSWFWBYSA-N 1 0 200.673 1.278 10 0 BDAERO C[C@@H]1CC[S@@](=O)C[C@@H](C2CCC2)[NH2+]1 ZINC000306844467 351158268 /nfs/dbraw/zinc/15/82/68/351158268.db2.gz HHRUJXZFRAIZKB-DFAYQTQMSA-N 1 0 201.335 1.286 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cnco1 ZINC000616644616 351161562 /nfs/dbraw/zinc/16/15/62/351161562.db2.gz ARGVJOSCPKCJAT-SNVBAGLBSA-N 1 0 210.277 1.846 10 0 BDAERO CC(C)(C)N1CCO[C@@H](c2c[nH]cn2)C1 ZINC000616646078 351169620 /nfs/dbraw/zinc/16/96/20/351169620.db2.gz XDBGQPMFPDMQFY-SNVBAGLBSA-N 1 0 209.293 1.582 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@@H](c2cn[nH]n2)C1 ZINC000616654054 351194581 /nfs/dbraw/zinc/19/45/81/351194581.db2.gz KVCSQGYYVYFZSQ-SNVBAGLBSA-N 1 0 208.309 1.783 10 0 BDAERO c1cc2ccc([C@@H]3C[NH2+]CCCO3)cc2nn1 ZINC000616652730 351186513 /nfs/dbraw/zinc/18/65/13/351186513.db2.gz OBVCFZXCBKGMQS-ZDUSSCGKSA-N 1 0 229.283 1.681 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2ccccn2)C1 ZINC000616652053 351190118 /nfs/dbraw/zinc/19/01/18/351190118.db2.gz DESZTGQXEUIKFO-GFCCVEGCSA-N 1 0 220.316 1.643 10 0 BDAERO c1onnc1[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616637083 351129581 /nfs/dbraw/zinc/12/95/81/351129581.db2.gz RWFXSWUCYAYXFY-CYBMUJFWSA-N 1 0 244.298 1.216 10 0 BDAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccc(N)cc1 ZINC000616636864 351129596 /nfs/dbraw/zinc/12/95/96/351129596.db2.gz FZIFUXMKELDFOI-CYBMUJFWSA-N 1 0 219.332 1.624 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2ccnnc2)C1 ZINC000616652267 351190983 /nfs/dbraw/zinc/19/09/83/351190983.db2.gz GNXANUWKWDVOEU-GFCCVEGCSA-N 1 0 221.304 1.038 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cccc(N)n1 ZINC000616637379 351132209 /nfs/dbraw/zinc/13/22/09/351132209.db2.gz LUKFQIRUZSJZRU-NSHDSACASA-N 1 0 234.347 1.409 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccncn1 ZINC000306824919 351132860 /nfs/dbraw/zinc/13/28/60/351132860.db2.gz VPUJGBIQMIPEEC-SCZZXKLOSA-N 1 0 209.318 1.318 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1cccc2ncccc21 ZINC000616637687 351134952 /nfs/dbraw/zinc/13/49/52/351134952.db2.gz PFXWRZIFCJQTGI-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO CN1CCSC[C@H]1[C@H]([NH3+])c1ccc[nH]1 ZINC000306826484 351135963 /nfs/dbraw/zinc/13/59/63/351135963.db2.gz ZJEPTBVAPKQFGQ-VHSXEESVSA-N 1 0 211.334 1.062 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1cnnc2ccccc21 ZINC000616638415 351139803 /nfs/dbraw/zinc/13/98/03/351139803.db2.gz ZSPRYGXXKDCKSC-CYBMUJFWSA-N 1 0 228.299 1.206 10 0 BDAERO [NH3+]CCN1C[C@@H](c2cocn2)Cc2ccccc21 ZINC000616670486 351233637 /nfs/dbraw/zinc/23/36/37/351233637.db2.gz GDOOPSSBIDMBBQ-LBPRGKRZSA-N 1 0 243.310 1.780 10 0 BDAERO [NH3+]CCN1CC[C@H](c2ccon2)c2ccccc21 ZINC000616676427 351240782 /nfs/dbraw/zinc/24/07/82/351240782.db2.gz VVEPUGLUXSEKLV-NSHDSACASA-N 1 0 243.310 1.975 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2c[nH]nn2)c2ccccc21 ZINC000616675209 351243076 /nfs/dbraw/zinc/24/30/76/351243076.db2.gz PCVJVEXJLDCFPS-SNVBAGLBSA-N 1 0 243.314 1.105 10 0 BDAERO C[N@@H+]1CCc2ccccc2[C@H]1c1cn[nH]c1 ZINC000616679757 351245899 /nfs/dbraw/zinc/24/58/99/351245899.db2.gz OFDVWASJIPSJKV-CYBMUJFWSA-N 1 0 213.284 1.987 10 0 BDAERO [NH3+]CCN1C[C@H](c2ccno2)Nc2ccccc21 ZINC000616684895 351255578 /nfs/dbraw/zinc/25/55/78/351255578.db2.gz OPGPDEPZWYCVPQ-LLVKDONJSA-N 1 0 244.298 1.607 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2cnno2)CC1 ZINC000616686958 351257509 /nfs/dbraw/zinc/25/75/09/351257509.db2.gz NBPNVCYMPHRRGJ-VIFPVBQESA-N 1 0 211.265 1.241 10 0 BDAERO CC[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616685907 351258236 /nfs/dbraw/zinc/25/82/36/351258236.db2.gz ZHHVEFHPGKLOJP-SNVBAGLBSA-N 1 0 205.305 1.656 10 0 BDAERO CNc1ccccc1[C@H]1CCOCC[NH2+]1 ZINC000616657481 351199084 /nfs/dbraw/zinc/19/90/84/351199084.db2.gz CSGLZODLJUCRNR-GFCCVEGCSA-N 1 0 206.289 1.779 10 0 BDAERO C[N@@H+]1CCOC[C@H](c2ccc(N)cc2)C1 ZINC000616657992 351199646 /nfs/dbraw/zinc/19/96/46/351199646.db2.gz HKRPJBYZOUHLQE-LLVKDONJSA-N 1 0 206.289 1.314 10 0 BDAERO [NH3+]CCN1CCOCC[C@@H]1c1ccc(F)cc1 ZINC000616657840 351199915 /nfs/dbraw/zinc/19/99/15/351199915.db2.gz QQKJYKXADRMWGA-CYBMUJFWSA-N 1 0 238.306 1.548 10 0 BDAERO C[N@@H+]1CCOCC[C@@H]1c1ccccc1CCO ZINC000616656176 351202719 /nfs/dbraw/zinc/20/27/19/351202719.db2.gz PRVQTUAPVQNLMJ-CQSZACIVSA-N 1 0 235.327 1.615 10 0 BDAERO CO[C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616658830 351205487 /nfs/dbraw/zinc/20/54/87/351205487.db2.gz FYVHATSMHWSLBO-ZDUSSCGKSA-N 1 0 221.300 1.534 10 0 BDAERO C[N@@H+]1CCOC[C@H](c2ccccc2F)C1 ZINC000616659242 351206153 /nfs/dbraw/zinc/20/61/53/351206153.db2.gz ORXUCQGGNFPRAV-SNVBAGLBSA-N 1 0 209.264 1.871 10 0 BDAERO [NH3+]C[C@H]1CCOCCN1Cc1ccccc1 ZINC000616659285 351207444 /nfs/dbraw/zinc/20/74/44/351207444.db2.gz PAIINOBFQWGEJS-CYBMUJFWSA-N 1 0 220.316 1.236 10 0 BDAERO C[N@@H+]1CCOC[C@H](c2cc3ccccc3nn2)C1 ZINC000616660137 351208923 /nfs/dbraw/zinc/20/89/23/351208923.db2.gz SECYKORYZZASGG-GFCCVEGCSA-N 1 0 243.310 1.675 10 0 BDAERO C[N@@H+]1CCOC[C@H](c2ccc(CCO)cc2)C1 ZINC000616660085 351208998 /nfs/dbraw/zinc/20/89/98/351208998.db2.gz RKMRWFDWGYMYHA-CQSZACIVSA-N 1 0 235.327 1.267 10 0 BDAERO [NH3+]CCN1CCOC[C@@H](c2ccccc2F)C1 ZINC000616659896 351209023 /nfs/dbraw/zinc/20/90/23/351209023.db2.gz GLLOVEUPBHVDRB-NSHDSACASA-N 1 0 238.306 1.200 10 0 BDAERO c1cc2cc([C@H]3C[NH2+]CCOC3)ccc2cn1 ZINC000616661686 351212647 /nfs/dbraw/zinc/21/26/47/351212647.db2.gz XSZGDCWTNRKULR-AWEZNQCLSA-N 1 0 228.295 1.938 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cncnc2)C1 ZINC000616660797 351213503 /nfs/dbraw/zinc/21/35/03/351213503.db2.gz PANSCXHPOGLENS-LBPRGKRZSA-N 1 0 235.331 1.691 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](C(F)(F)F)C1 ZINC000616662250 351217323 /nfs/dbraw/zinc/21/73/23/351217323.db2.gz ZPBWKEFAYMUUMF-QMMMGPOBSA-N 1 0 211.227 1.906 10 0 BDAERO c1cc2ccc([C@@H]3CC[NH2+]CCO3)cc2nn1 ZINC000616664732 351220769 /nfs/dbraw/zinc/22/07/69/351220769.db2.gz VFCNZMFPTKGBAA-ZDUSSCGKSA-N 1 0 229.283 1.681 10 0 BDAERO CC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664933 351221659 /nfs/dbraw/zinc/22/16/59/351221659.db2.gz XAILRMVXCYDGLR-AWEZNQCLSA-N 1 0 233.311 1.867 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2cccnn2)CC1 ZINC000616666135 351225584 /nfs/dbraw/zinc/22/55/84/351225584.db2.gz IFPVZXVQCXHUKL-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO Clc1ccc(OC[C@@H]2CCC[NH2+]2)nn1 ZINC000051865955 180584059 /nfs/dbraw/zinc/58/40/59/180584059.db2.gz KWANFKCWAAWCJO-ZETCQYMHSA-N 1 0 213.668 1.261 10 0 BDAERO CC[C@H](Nc1ncncc1Cl)[C@H](C)[NH3+] ZINC000306888569 351295379 /nfs/dbraw/zinc/29/53/79/351295379.db2.gz WJBMIKCUSWCGFB-XPUUQOCRSA-N 1 0 214.700 1.668 10 0 BDAERO O[C@@H](CF)C[N@@H+]1CCCC12CCCC2 ZINC000306889351 351297211 /nfs/dbraw/zinc/29/72/11/351297211.db2.gz XJDRTSTUHNVXLQ-JTQLQIEISA-N 1 0 201.285 1.725 10 0 BDAERO C[NH2+][C@H](c1cccs1)c1ccnn1C ZINC000069020342 351335397 /nfs/dbraw/zinc/33/53/97/351335397.db2.gz XEWUDJYKHLGPJM-JTQLQIEISA-N 1 0 207.302 1.790 10 0 BDAERO OC1(c2occc2Br)CC[NH2+]CC1 ZINC000068981053 351312529 /nfs/dbraw/zinc/31/25/29/351312529.db2.gz GOEPWEZUGQGQSS-UHFFFAOYSA-N 1 0 246.104 1.613 10 0 BDAERO CCN(Cc1ccccc1)C1=[NH+]C[C@@H](C)N1 ZINC000306909673 351321973 /nfs/dbraw/zinc/32/19/73/351321973.db2.gz HEVUPSWLMPSZCX-LLVKDONJSA-N 1 0 217.316 1.856 10 0 BDAERO C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C)CS1 ZINC000306911661 351323655 /nfs/dbraw/zinc/32/36/55/351323655.db2.gz QZJRIVHCGVIOCW-OPRDCNLKSA-N 1 0 200.351 1.174 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](C)Nc1nnc(C)s1 ZINC000306878837 351272117 /nfs/dbraw/zinc/27/21/17/351272117.db2.gz IVUDEPAIFXDHMO-IYSWYEEDSA-N 1 0 200.311 1.384 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1CN=S(C)(C)=O ZINC000306880483 351273249 /nfs/dbraw/zinc/27/32/49/351273249.db2.gz FXPZBQIOWQGKLV-IUCAKERBSA-N 1 0 204.339 1.102 10 0 BDAERO Cc1cc([C@@H]([NH3+])Cn2cccn2)sn1 ZINC000306880364 351273609 /nfs/dbraw/zinc/27/36/09/351273609.db2.gz KQHPHVWHJHJJDY-QMMMGPOBSA-N 1 0 208.290 1.348 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(F)(F)F ZINC000063192241 351274630 /nfs/dbraw/zinc/27/46/30/351274630.db2.gz BRIUCVLKHNPYMT-BQBZGAKWSA-N 1 0 224.226 1.277 10 0 BDAERO C[C@H]1C[NH+]=C(SC[C@H]2CCCCO2)N1 ZINC000306881489 351279092 /nfs/dbraw/zinc/27/90/92/351279092.db2.gz LXWYHNJVKAHXMJ-DTWKUNHWSA-N 1 0 214.334 1.636 10 0 BDAERO Fc1ccc(Cl)c(NC2C[NH2+]C2)c1 ZINC000231811845 351378029 /nfs/dbraw/zinc/37/80/29/351378029.db2.gz QQQCQUWFTLPPBG-UHFFFAOYSA-N 1 0 200.644 1.863 10 0 BDAERO Cc1nc(C)c([C@H](O)[C@@H]2C=CC[NH2+]2)s1 ZINC000306979031 351397407 /nfs/dbraw/zinc/39/74/07/351397407.db2.gz BKAGMHJNKREXHL-DTWKUNHWSA-N 1 0 210.302 1.321 10 0 BDAERO C=C(Cl)C(=O)NC1CCC([NH3+])CC1 ZINC000306985216 351402361 /nfs/dbraw/zinc/40/23/61/351402361.db2.gz MZPUZOYIVOQFDB-UHFFFAOYSA-N 1 0 202.685 1.125 10 0 BDAERO C[C@H]([NH3+])c1cncn1[C@H]1CS[C@H](C)C1 ZINC000306986580 351403151 /nfs/dbraw/zinc/40/31/51/351403151.db2.gz OZNBLSHIZIUCKM-HRDYMLBCSA-N 1 0 211.334 1.969 10 0 BDAERO Cc1ccc([C@]2(O)CC[NH2+]C2)cc1Cl ZINC000228773792 351346435 /nfs/dbraw/zinc/34/64/35/351346435.db2.gz HCXQRGZHLGNHPK-NSHDSACASA-N 1 0 211.692 1.829 10 0 BDAERO CCCCC[NH2+][C@H](C)C(=O)NC(C)C ZINC000034937185 351351317 /nfs/dbraw/zinc/35/13/17/351351317.db2.gz AYWQLXRKJPSKOB-SNVBAGLBSA-N 1 0 200.326 1.679 10 0 BDAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)COC ZINC000034938784 351353992 /nfs/dbraw/zinc/35/39/92/351353992.db2.gz MCRYCPDROLBDSB-QWRGUYRKSA-N 1 0 230.352 1.306 10 0 BDAERO [NH3+]CCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000034939123 351354674 /nfs/dbraw/zinc/35/46/74/351354674.db2.gz ZCQAZGWDBWSJSL-UHFFFAOYSA-N 1 0 233.271 1.225 10 0 BDAERO O[C@H](c1occc1Br)[C@H]1C=CC[NH2+]1 ZINC000307026655 351434316 /nfs/dbraw/zinc/43/43/16/351434316.db2.gz YPCIDDWVXRFSKY-SFYZADRCSA-N 1 0 244.088 1.604 10 0 BDAERO C[C@@H]1CSC(NCc2cncn2C)=[NH+]1 ZINC000307027234 351435478 /nfs/dbraw/zinc/43/54/78/351435478.db2.gz ZPJWHSTZVUUVGQ-SSDOTTSWSA-N 1 0 210.306 1.001 10 0 BDAERO CC(C)([NH3+])CN1CCC=C(Br)C1 ZINC000404433766 351446098 /nfs/dbraw/zinc/44/60/98/351446098.db2.gz RWVJDVAGJDQVAA-UHFFFAOYSA-N 1 0 233.153 1.708 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1N1CCC=C(Cl)C1 ZINC000404465010 351467263 /nfs/dbraw/zinc/46/72/63/351467263.db2.gz WMLGPBRNIWBEIQ-VHSXEESVSA-N 1 0 200.713 1.695 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CCCOCC1 ZINC000307058774 351458239 /nfs/dbraw/zinc/45/82/39/351458239.db2.gz MCGGAVNFUMPIDG-ZDUSSCGKSA-N 1 0 247.342 1.870 10 0 BDAERO C[C@H]([NH2+]C1CSC1)c1ccncc1F ZINC000306997524 351412290 /nfs/dbraw/zinc/41/22/90/351412290.db2.gz WLYDGTZRGGKPRR-ZETCQYMHSA-N 1 0 212.293 1.987 10 0 BDAERO Cc1ncsc1CCNC1=[NH+]CCS1 ZINC000307018431 351423879 /nfs/dbraw/zinc/42/38/79/351423879.db2.gz QWDRYMFRYDFPMQ-UHFFFAOYSA-N 1 0 227.358 1.686 10 0 BDAERO CCC[N@@H+]1CC[C@]2(C1)N[C@H](C)CS2 ZINC000307146041 351499084 /nfs/dbraw/zinc/49/90/84/351499084.db2.gz GVMJGCYIHLHVIX-ZJUUUORDSA-N 1 0 200.351 1.523 10 0 BDAERO c1ccc(C[NH2+][C@@H]2CN3CC[C@H]2C3)cc1 ZINC000307145889 351499514 /nfs/dbraw/zinc/49/95/14/351499514.db2.gz MUHWSWKJNNIJEG-QWHCGFSZSA-N 1 0 202.301 1.480 10 0 BDAERO C[C@H]1CSC(NCc2csnn2)=[NH+]1 ZINC000307090504 351472101 /nfs/dbraw/zinc/47/21/01/351472101.db2.gz PQKDQQALKDYDKX-YFKPBYRVSA-N 1 0 214.319 1.119 10 0 BDAERO C[C@@H]1C[C@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268242 538100399 /nfs/dbraw/zinc/10/03/99/538100399.db2.gz VRBPJSHYEFHWFO-FDYHWXHSSA-N 1 0 237.343 1.712 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@H]1CSC1(C)C ZINC000307163142 351528623 /nfs/dbraw/zinc/52/86/23/351528623.db2.gz LONOGMCKXVCWFC-UWVGGRQHSA-N 1 0 214.378 1.564 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[S@@](=O)[C@H](C)CC[NH2+]1 ZINC000307164112 351529886 /nfs/dbraw/zinc/52/98/86/351529886.db2.gz GMIDSYSFFJIVMY-JJKYCLHCSA-N 1 0 201.335 1.142 10 0 BDAERO CCN(Cc1ccccc1)C1=[NH+]CCN1C ZINC000307164746 351530616 /nfs/dbraw/zinc/53/06/16/351530616.db2.gz HJVCAQZZQNWREI-UHFFFAOYSA-N 1 0 217.316 1.810 10 0 BDAERO CC(=[NH2+])NCc1nn(C)cc1Br ZINC000307167757 351541611 /nfs/dbraw/zinc/54/16/11/351541611.db2.gz SKEQFPWKAKDUSR-UHFFFAOYSA-N 1 0 231.097 1.269 10 0 BDAERO [NH3+]CCC[S@@](=O)CCOCc1ccccc1 ZINC000307188998 351589275 /nfs/dbraw/zinc/58/92/75/351589275.db2.gz CDLMZCLNBICWHB-MRXNPFEDSA-N 1 0 241.356 1.301 10 0 BDAERO C[NH+](C)CC1CN(c2ccnc(F)c2)C1 ZINC000307190848 351591417 /nfs/dbraw/zinc/59/14/17/351591417.db2.gz AMPHZKPSJXGHMO-UHFFFAOYSA-N 1 0 209.268 1.219 10 0 BDAERO CC[C@H]([NH3+])[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000307213858 351615060 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ZINC000307377676 352476014 /nfs/dbraw/zinc/47/60/14/352476014.db2.gz CGXBSFJNAMSKNW-HTQZYQBOSA-N 1 0 210.302 1.714 10 0 BDAERO C[C@@H]1SCCC[C@@H]1[NH2+]C1CN(C)C1 ZINC000307380015 352477251 /nfs/dbraw/zinc/47/72/51/352477251.db2.gz ZMAHJDGYDSGAFZ-WPRPVWTQSA-N 1 0 200.351 1.174 10 0 BDAERO CNC(=[NH2+])[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300026569 352553280 /nfs/dbraw/zinc/55/32/80/352553280.db2.gz JPBWMXGVPNBZPY-ACZMJKKPSA-N 1 0 204.364 1.809 10 0 BDAERO C[C@@H](O)CNc1cc(N)[nH+]cc1Br ZINC000307390584 352553719 /nfs/dbraw/zinc/55/37/19/352553719.db2.gz SWKZBRPRCFDOLR-RXMQYKEDSA-N 1 0 246.108 1.219 10 0 BDAERO C[C@H](C(=O)N1CCN=C1CC[NH3+])C(C)(C)C ZINC000725272495 538104241 /nfs/dbraw/zinc/10/42/41/538104241.db2.gz MPAXPZRJTQVBKL-SECBINFHSA-N 1 0 225.336 1.258 10 0 BDAERO Cn1ncc(Cl)c1[C@@H]([NH3+])C1CSC1 ZINC000404852601 352595029 /nfs/dbraw/zinc/59/50/29/352595029.db2.gz PBPBCXAXMLZCOY-ZETCQYMHSA-N 1 0 217.725 1.436 10 0 BDAERO C[C@@H]1CSC[C@H]1N1CC[NH2+]C[C@H]1C ZINC000307449256 352603042 /nfs/dbraw/zinc/60/30/42/352603042.db2.gz MJOODTRNKOBBSF-OPRDCNLKSA-N 1 0 200.351 1.032 10 0 BDAERO C[NH2+][C@@H](CO)CN(Cc1ccccc1)C1CC1 ZINC000307463637 352611858 /nfs/dbraw/zinc/61/18/58/352611858.db2.gz CDACYIINQDXZQX-CYBMUJFWSA-N 1 0 234.343 1.231 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000232306431 352612027 /nfs/dbraw/zinc/61/20/27/352612027.db2.gz MRVVEOOBSWTJNL-NEPJUHHUSA-N 1 0 233.315 1.366 10 0 BDAERO CCOC(=O)c1ccccc1C1C[NH2+]C1 ZINC000725272742 538104547 /nfs/dbraw/zinc/10/45/47/538104547.db2.gz KYXGZNQAWVPVRU-UHFFFAOYSA-N 1 0 205.257 1.550 10 0 BDAERO CC[S@](C)(=O)=NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000307465831 352615073 /nfs/dbraw/zinc/61/50/73/352615073.db2.gz JQLGHWBHUGWYJQ-RWEMILLDSA-N 1 0 204.339 1.232 10 0 BDAERO C[C@@]1(CO)CC[N@@H+]([C@H]2CCCCC2=O)C1 ZINC000307394912 352569009 /nfs/dbraw/zinc/56/90/09/352569009.db2.gz MVRANIGWPSQIQT-CMPLNLGQSA-N 1 0 211.305 1.202 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](C(=O)NC2(C(F)F)CC2)C1 ZINC000638725340 352582722 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/nfs/dbraw/zinc/66/19/95/352661995.db2.gz KDSMTTXJWPQXOB-GFCCVEGCSA-N 1 0 247.342 1.708 10 0 BDAERO C[C@@H]1CCSCCN1[C@@H]1CC[NH2+]C1 ZINC000307594754 352664864 /nfs/dbraw/zinc/66/48/64/352664864.db2.gz JHKHBQOQARIIAJ-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO CC1(C)SC[C@@H]1NC1=[NH+]CCCS1 ZINC000307601208 352666851 /nfs/dbraw/zinc/66/68/51/352666851.db2.gz UNXYLLAQOMNCMZ-ZETCQYMHSA-N 1 0 216.375 1.963 10 0 BDAERO C[C@H](CO)[NH2+]CC12CCC(C)(CC1)OC2 ZINC000725273227 538105055 /nfs/dbraw/zinc/10/50/55/538105055.db2.gz XUFUFGFAHLEHQI-VOMCLLRMSA-N 1 0 213.321 1.306 10 0 BDAERO Brc1cccnc1C[C@@H]1CC[NH2+]C1 ZINC000307618701 352676821 /nfs/dbraw/zinc/67/68/21/352676821.db2.gz ZWYOPIXMKJALKC-QMMMGPOBSA-N 1 0 241.132 1.996 10 0 BDAERO CC(C)OCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412048855 191243426 /nfs/dbraw/zinc/24/34/26/191243426.db2.gz QUCAYSLBNCWHKX-BFHYXJOUSA-N 1 0 241.375 1.894 10 0 BDAERO COC[C@H]([NH2+][C@H]1C[C@H]1C)C1CCOCC1 ZINC000187954143 352805249 /nfs/dbraw/zinc/80/52/49/352805249.db2.gz IWDXXHGRPQJFMR-USWWRNFRSA-N 1 0 213.321 1.426 10 0 BDAERO CCOC(=O)c1cccnc1NC[C@H](C)C[NH3+] ZINC000420222544 192177639 /nfs/dbraw/zinc/17/76/39/192177639.db2.gz XMRNBYSKYVZOTJ-SECBINFHSA-N 1 0 237.303 1.265 10 0 BDAERO Cc1cc(C[C@@H]([NH3+])[C@H]2CCOC2)cs1 ZINC000307687993 352920895 /nfs/dbraw/zinc/92/08/95/352920895.db2.gz FPUIIVQGXROODM-WDEREUQCSA-N 1 0 211.330 1.963 10 0 BDAERO COc1ncc([C@@H]2CC[C@@H](C[NH3+])O2)s1 ZINC000307688695 352921091 /nfs/dbraw/zinc/92/10/91/352921091.db2.gz MDJVGMIEHYQGIZ-BQBZGAKWSA-N 1 0 214.290 1.331 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(C#N)c1 ZINC000383409611 352931875 /nfs/dbraw/zinc/93/18/75/352931875.db2.gz SVDJHCUEMFSLTN-BXKDBHETSA-N 1 0 229.283 1.120 10 0 BDAERO O=C(NC[C@@H]1CCCC12CC2)[C@H]1CC[NH2+]C1 ZINC000638795165 352884754 /nfs/dbraw/zinc/88/47/54/352884754.db2.gz MPJHSDOQRDGBQA-QWRGUYRKSA-N 1 0 222.332 1.292 10 0 BDAERO CC1(C)CCSC[C@@]12CC[NH2+][C@@H]2CO ZINC000307698073 352956401 /nfs/dbraw/zinc/95/64/01/352956401.db2.gz MNLIYXLJIIRQHL-MWLCHTKSSA-N 1 0 215.362 1.490 10 0 BDAERO CC(C)[C@@H](C)[NH+]1CCC(OCCO)CC1 ZINC000318978711 538106153 /nfs/dbraw/zinc/10/61/53/538106153.db2.gz IDGXRHNMTIYSKL-LLVKDONJSA-N 1 0 215.337 1.504 10 0 BDAERO CC[NH2+]C[C@H](CC)NC(=O)OC(C)(C)C ZINC000227715547 323946740 /nfs/dbraw/zinc/94/67/40/323946740.db2.gz ATPVINDJCIICCC-VIFPVBQESA-N 1 0 216.325 1.899 10 0 BDAERO CC(C)(C)[C@H]([NH3+])CN=S1(=O)CCCC1 ZINC000306622632 353030363 /nfs/dbraw/zinc/03/03/63/353030363.db2.gz AXHJQWSVVPGBES-SECBINFHSA-N 1 0 218.366 1.622 10 0 BDAERO CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000092409569 538106983 /nfs/dbraw/zinc/10/69/83/538106983.db2.gz CJKNPOABMYUBLR-GWCFXTLKSA-N 1 0 237.347 1.233 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCC12CC2 ZINC000638832115 353013353 /nfs/dbraw/zinc/01/33/53/353013353.db2.gz DVBSOXYVVCEPEI-MNOVXSKESA-N 1 0 224.348 1.809 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC12CC2 ZINC000638832656 353013945 /nfs/dbraw/zinc/01/39/45/353013945.db2.gz SMWUAEORKXVRMD-NXEZZACHSA-N 1 0 210.321 1.563 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C[NH3+] ZINC000638905898 353062317 /nfs/dbraw/zinc/06/23/17/353062317.db2.gz VEFFHEJGXWKARQ-SYLRKERUSA-N 1 0 236.359 1.476 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C)C[C@@H]1C[NH3+] ZINC000638905941 353064822 /nfs/dbraw/zinc/06/48/22/353064822.db2.gz VWMAHHDJMNGMFD-FVCCEPFGSA-N 1 0 238.375 1.866 10 0 BDAERO C[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000638905829 353067596 /nfs/dbraw/zinc/06/75/96/353067596.db2.gz SJGFUOVBKHYSAM-HGCLJGPKSA-N 1 0 222.332 1.086 10 0 BDAERO Fc1cc(Br)cc(NC2C[NH2+]C2)c1 ZINC000307304671 353067671 /nfs/dbraw/zinc/06/76/71/353067671.db2.gz BZWXGKKFASRQGJ-UHFFFAOYSA-N 1 0 245.095 1.972 10 0 BDAERO C[NH2+][C@H](C)CNc1ncc(F)cc1F ZINC000307412623 353075655 /nfs/dbraw/zinc/07/56/55/353075655.db2.gz ITJUTNBJUOWZHV-ZCFIWIBFSA-N 1 0 201.220 1.380 10 0 BDAERO CCC(C)(C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638866736 353040429 /nfs/dbraw/zinc/04/04/29/353040429.db2.gz SZKLHLKAZGKVOQ-GHMZBOCLSA-N 1 0 226.364 1.784 10 0 BDAERO CCC[C@@H]1C[NH2+]C[C@H]1c1cc(C)nn1C ZINC000536950905 323955082 /nfs/dbraw/zinc/95/50/82/323955082.db2.gz LZAIXAAWRHYXSC-GHMZBOCLSA-N 1 0 207.321 1.832 10 0 BDAERO C[C@@H]1C[C@H](NC2=[NH+]CCCS2)CS1 ZINC000306873478 353043347 /nfs/dbraw/zinc/04/33/47/353043347.db2.gz XRXHLPFLVSJJDB-SFYZADRCSA-N 1 0 216.375 1.963 10 0 BDAERO C[C@H]1CN(C(=O)c2ccsc2)C[C@@H]1C[NH3+] ZINC000638887836 353049405 /nfs/dbraw/zinc/04/94/05/353049405.db2.gz PUVIEGIZIYUMNF-WPRPVWTQSA-N 1 0 224.329 1.415 10 0 BDAERO Cc1cc(C)cc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638884146 353051406 /nfs/dbraw/zinc/05/14/06/353051406.db2.gz FSKWEGXAWZFURK-JSGCOSHPSA-N 1 0 246.354 1.970 10 0 BDAERO CC(C)CCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638885174 353051951 /nfs/dbraw/zinc/05/19/51/353051951.db2.gz HIWVIYIHPSIQKX-QWRGUYRKSA-N 1 0 212.337 1.476 10 0 BDAERO Cc1cccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000638886775 353053156 /nfs/dbraw/zinc/05/31/56/353053156.db2.gz SOSXJZNJMLREQN-WCQYABFASA-N 1 0 246.354 1.970 10 0 BDAERO C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)C(C)(C)C ZINC000638886697 353053170 /nfs/dbraw/zinc/05/31/70/353053170.db2.gz BQZFJVYYXBARHE-GMTAPVOTSA-N 1 0 226.364 1.722 10 0 BDAERO CCCCCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638888959 353053395 /nfs/dbraw/zinc/05/33/95/353053395.db2.gz YXKCCQDXBCEFEQ-WDEREUQCSA-N 1 0 212.337 1.620 10 0 BDAERO COc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638886360 353053446 /nfs/dbraw/zinc/05/34/46/353053446.db2.gz QQZPFZHPZGMTHD-JQWIXIFHSA-N 1 0 248.326 1.362 10 0 BDAERO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)C(C)(C)C ZINC000638886961 353053811 /nfs/dbraw/zinc/05/38/11/353053811.db2.gz BQZFJVYYXBARHE-OUAUKWLOSA-N 1 0 226.364 1.722 10 0 BDAERO Brc1ccoc1C1C[NH2+]C1 ZINC000307620645 353087996 /nfs/dbraw/zinc/08/79/96/353087996.db2.gz OBZQYXPRAHAGDK-UHFFFAOYSA-N 1 0 202.051 1.729 10 0 BDAERO CC[C@@](C)(C(C)=O)[N@@H+]1CCCN(C)CC1 ZINC000307750067 353126362 /nfs/dbraw/zinc/12/63/62/353126362.db2.gz IQUQVZNMSGCUPO-LBPRGKRZSA-N 1 0 212.337 1.382 10 0 BDAERO [NH3+][C@@H](C1=COCCC1)[C@H]1CSCCO1 ZINC000160129256 353145500 /nfs/dbraw/zinc/14/55/00/353145500.db2.gz GNUPXXMFXKETFB-ZJUUUORDSA-N 1 0 215.318 1.140 10 0 BDAERO CC(C)(C)OC(=O)N=c1[nH]c(C[NH3+])cs1 ZINC000199464527 538108951 /nfs/dbraw/zinc/10/89/51/538108951.db2.gz SEKNAIFIARYMTJ-UHFFFAOYSA-N 1 0 229.305 1.949 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000232663165 353155957 /nfs/dbraw/zinc/15/59/57/353155957.db2.gz QMKGRWGOOPGFGO-DTWKUNHWSA-N 1 0 200.282 1.262 10 0 BDAERO Cc1cnc(N[C@@H](C)CCCC[NH3+])nc1 ZINC000308836428 188105048 /nfs/dbraw/zinc/10/50/48/188105048.db2.gz LKRSTQXNXZFLKO-JTQLQIEISA-N 1 0 208.309 1.714 10 0 BDAERO CC(C)[NH2+]Cc1c(Br)nnn1C ZINC000232681306 353167213 /nfs/dbraw/zinc/16/72/13/353167213.db2.gz UKVJRKSAIDRTAQ-UHFFFAOYSA-N 1 0 233.113 1.076 10 0 BDAERO CC(C)Cc1ccc([C@@](C)([NH3+])C(N)=O)cc1 ZINC000037460026 188106741 /nfs/dbraw/zinc/10/67/41/188106741.db2.gz CZEHXQDJBPORBW-CYBMUJFWSA-N 1 0 220.316 1.544 10 0 BDAERO CC(C)[C@H](C)N(C)C(=O)C1CC[NH2+]CC1 ZINC000037504714 188107126 /nfs/dbraw/zinc/10/71/26/188107126.db2.gz QGJZDUJHRXYPTM-JTQLQIEISA-N 1 0 212.337 1.489 10 0 BDAERO COc1ccc(OC)c(NC(=O)C(C)(C)[NH3+])c1 ZINC000019672604 188107720 /nfs/dbraw/zinc/10/77/20/188107720.db2.gz RHCFTKDMVFKYTF-UHFFFAOYSA-N 1 0 238.287 1.380 10 0 BDAERO COc1cc(C)ccc1OC[C@@H](C[NH3+])N(C)C ZINC000020400128 188108707 /nfs/dbraw/zinc/10/87/07/188108707.db2.gz XNYGPRKYEULMQI-LLVKDONJSA-N 1 0 238.331 1.271 10 0 BDAERO C[NH+]1CCC(OC(=O)c2ccccc2N)CC1 ZINC000033606432 188111116 /nfs/dbraw/zinc/11/11/16/188111116.db2.gz XLPQZGUNICBTCY-UHFFFAOYSA-N 1 0 234.299 1.520 10 0 BDAERO CC(C)(CO)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000035102020 188111712 /nfs/dbraw/zinc/11/17/12/188111712.db2.gz PHFGXXVQHVSGJH-UHFFFAOYSA-N 1 0 240.278 1.125 10 0 BDAERO Cc1nn(Cc2cccnc2)c(C)c1C[NH3+] ZINC000036868349 188113318 /nfs/dbraw/zinc/11/33/18/188113318.db2.gz NMCNBDDUUWWLBT-UHFFFAOYSA-N 1 0 216.288 1.402 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)Nc1cccc2c[nH]nc21 ZINC000037044375 188113327 /nfs/dbraw/zinc/11/33/27/188113327.db2.gz TVDILHBPZWECCR-JTQLQIEISA-N 1 0 232.287 1.485 10 0 BDAERO CC(C)(C)c1csc(C[C@@H](O)C[NH3+])n1 ZINC000071484920 188113897 /nfs/dbraw/zinc/11/38/97/188113897.db2.gz WKHMNHGWLJYOKX-SSDOTTSWSA-N 1 0 214.334 1.303 10 0 BDAERO COc1ccc([C@]2(O)CCC[NH2+]C2)cc1 ZINC000071510477 188113913 /nfs/dbraw/zinc/11/39/13/188113913.db2.gz WJFQLBRFIBIDPC-LBPRGKRZSA-N 1 0 207.273 1.266 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000037769577 188114605 /nfs/dbraw/zinc/11/46/05/188114605.db2.gz RGVNZVSAVOUENA-SNVBAGLBSA-N 1 0 246.314 1.875 10 0 BDAERO CC1(C)C[C@H]([NH3+])C[C@@](C)(C[NH2+]CCC(=O)[O-])C1 ZINC000038636266 188117581 /nfs/dbraw/zinc/11/75/81/188117581.db2.gz RGKAWYALXRQNJW-GXFFZTMASA-N 1 0 242.363 1.594 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cn[nH]c1 ZINC000040834924 188118260 /nfs/dbraw/zinc/11/82/60/188118260.db2.gz UXTWENYTPIKBTJ-LLVKDONJSA-N 1 0 238.335 1.116 10 0 BDAERO CC(C)C[C@@H]1Nc2cc[nH+]cc2NC1=O ZINC000082382536 188120297 /nfs/dbraw/zinc/12/02/97/188120297.db2.gz QBBYEOBBSDUFSI-VIFPVBQESA-N 1 0 205.261 1.860 10 0 BDAERO CC(C)N(CCCO)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000042526372 188120484 /nfs/dbraw/zinc/12/04/84/188120484.db2.gz MVOPXTSYUWXAMT-GFCCVEGCSA-N 1 0 242.363 1.138 10 0 BDAERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC1COC1 ZINC000309167261 188121655 /nfs/dbraw/zinc/12/16/55/188121655.db2.gz JONXAXCKMPNFSV-NSHDSACASA-N 1 0 212.337 1.095 10 0 BDAERO Cc1cc(C)n([C@@H](C[NH3+])c2ccncc2)n1 ZINC000043354897 188122039 /nfs/dbraw/zinc/12/20/39/188122039.db2.gz FIFRORVBJGQVFE-LBPRGKRZSA-N 1 0 216.288 1.443 10 0 BDAERO [NH3+]CCCc1ccc(Br)cn1 ZINC000044280479 188122383 /nfs/dbraw/zinc/12/23/83/188122383.db2.gz JGUAISKFMHDRQB-UHFFFAOYSA-N 1 0 215.094 1.735 10 0 BDAERO CC(=O)N([C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095082778 188145926 /nfs/dbraw/zinc/14/59/26/188145926.db2.gz DCZBGBAFHRHMOI-SSDOTTSWSA-N 1 0 210.199 1.107 10 0 BDAERO CC(C)[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCOC1 ZINC000049308171 188124571 /nfs/dbraw/zinc/12/45/71/188124571.db2.gz YXXTVPQCUIDJND-NWDGAFQWSA-N 1 0 242.363 1.163 10 0 BDAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc(N)c1 ZINC000049191831 188124659 /nfs/dbraw/zinc/12/46/59/188124659.db2.gz KDPBTBBPLHPVIQ-ZDUSSCGKSA-N 1 0 249.358 1.585 10 0 BDAERO CC(C)C[C@H](C[NH3+])N(C)CCc1ccncc1 ZINC000048259897 188124868 /nfs/dbraw/zinc/12/48/68/188124868.db2.gz BBDBBBDPKRRXOG-CQSZACIVSA-N 1 0 235.375 1.929 10 0 BDAERO COc1ccccc1NC(=O)C[NH2+][C@@H]1C[C@@H]1C ZINC000052287793 188126525 /nfs/dbraw/zinc/12/65/25/188126525.db2.gz HMWWGLXVJXGSEE-GXSJLCMTSA-N 1 0 234.299 1.632 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NCc1ncccn1 ZINC000054459578 188127336 /nfs/dbraw/zinc/12/73/36/188127336.db2.gz RHAGACIHHFHUTA-GFCCVEGCSA-N 1 0 236.363 1.543 10 0 BDAERO OCC[NH2+]CCOc1cccc2c1CCCC2 ZINC000057526335 188127753 /nfs/dbraw/zinc/12/77/53/188127753.db2.gz HIBCHWVYCUKCAN-UHFFFAOYSA-N 1 0 235.327 1.526 10 0 BDAERO C(NC1=[NH+]CCCS1)[C@H]1CCOC1 ZINC000061147004 188128158 /nfs/dbraw/zinc/12/81/58/188128158.db2.gz LALMLAZSNSBPTN-MRVPVSSYSA-N 1 0 200.307 1.105 10 0 BDAERO CC(=O)[C@H](C)OCC[NH2+]Cc1ccccc1 ZINC000074525144 188131396 /nfs/dbraw/zinc/13/13/96/188131396.db2.gz AEPOERWMNWDNAA-LBPRGKRZSA-N 1 0 221.300 1.770 10 0 BDAERO FC(F)(F)Cc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084616 180886959 /nfs/dbraw/zinc/88/69/59/180886959.db2.gz UBMCWKPGKFWNKM-SSDOTTSWSA-N 1 0 249.236 1.717 10 0 BDAERO CC(C)C[C@@H](C[NH3+])CC(=O)NC(C)C ZINC000076582818 188134024 /nfs/dbraw/zinc/13/40/24/188134024.db2.gz WIIHJQJKPCMAPI-SNVBAGLBSA-N 1 0 200.326 1.522 10 0 BDAERO CC(C)[C@H](CC[NH3+])C(=O)NCc1ccco1 ZINC000076611721 188134341 /nfs/dbraw/zinc/13/43/41/188134341.db2.gz VPNMCIYAFFFQGW-NSHDSACASA-N 1 0 224.304 1.517 10 0 BDAERO COc1ccccc1NC(=O)[C@@H](C)CC[NH3+] ZINC000076611134 188134378 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363372434 /nfs/dbraw/zinc/37/24/34/363372434.db2.gz XOTPTLXSRWKWAS-GHMZBOCLSA-N 1 0 200.326 1.081 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH3+])C1(C)C ZINC000233766187 363407584 /nfs/dbraw/zinc/40/75/84/363407584.db2.gz DJEGGWAAHCEMMQ-OUAUKWLOSA-N 1 0 214.353 1.517 10 0 BDAERO C[NH+](C)C[C@H]1CCN(CC(F)(F)F)C1 ZINC000113513096 355248941 /nfs/dbraw/zinc/24/89/41/355248941.db2.gz NKZOSHOUBNQPDC-MRVPVSSYSA-N 1 0 210.243 1.432 10 0 BDAERO NC(=[NH2+])CCN(CCc1ccccn1)C1CC1 ZINC000042548140 181186862 /nfs/dbraw/zinc/18/68/62/181186862.db2.gz HNRIVQBHSSLYJQ-UHFFFAOYSA-N 1 0 232.331 1.415 10 0 BDAERO NC(=[NH2+])COc1cc(F)ccc1Br ZINC000075881295 181186394 /nfs/dbraw/zinc/18/63/94/181186394.db2.gz HTQMWNJCEDNOQA-UHFFFAOYSA-N 1 0 247.067 1.903 10 0 BDAERO [NH3+][C@H]1CCO[C@@H]1c1ncc(Cl)s1 ZINC000223333807 355370039 /nfs/dbraw/zinc/37/00/39/355370039.db2.gz BMAFJMLRUJSSMO-NJGYIYPDSA-N 1 0 204.682 1.585 10 0 BDAERO NC(=[NH2+])Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000073640713 181191404 /nfs/dbraw/zinc/19/14/04/181191404.db2.gz HHVGEMXMYKDWNE-UHFFFAOYSA-N 1 0 244.254 1.837 10 0 BDAERO NC(=[NH2+])Nc1ccc(-c2c[nH]cn2)cc1 ZINC000027304246 181191467 /nfs/dbraw/zinc/19/14/67/181191467.db2.gz BGEJXEPDAQNLNA-UHFFFAOYSA-N 1 0 201.233 1.382 10 0 BDAERO NC(=[NH2+])[C@@H](O)c1ccc(Cl)cc1Cl ZINC000039135073 181192623 /nfs/dbraw/zinc/19/26/23/181192623.db2.gz NXCBDAHPTVTDJW-ZETCQYMHSA-N 1 0 219.071 1.963 10 0 BDAERO CN1CCC[C@]2(C1)[NH2+]C(C)(C)CS2 ZINC000134358026 355502962 /nfs/dbraw/zinc/50/29/62/355502962.db2.gz BWOLWHLSHROCIJ-JTQLQIEISA-N 1 0 200.351 1.523 10 0 BDAERO NC(=[NH2+])c1ccc(OCC(F)(F)F)nc1 ZINC000019427070 181194874 /nfs/dbraw/zinc/19/48/74/181194874.db2.gz DLFKFEVKWXMKNS-UHFFFAOYSA-N 1 0 219.166 1.307 10 0 BDAERO C[C@@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000389037241 355512286 /nfs/dbraw/zinc/51/22/86/355512286.db2.gz PYYVJFUFSNVGQF-DDHJBXDOSA-N 1 0 240.347 1.045 10 0 BDAERO NC(=[NH2+])c1cnn(Cc2ccccc2)c1 ZINC000075847677 181197238 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355834821 /nfs/dbraw/zinc/83/48/21/355834821.db2.gz ZODYEOPSERNSEY-LLVKDONJSA-N 1 0 228.336 1.552 10 0 BDAERO CC(C)N(C)C[C@@H](C)[NH2+]CC(C)(C)O ZINC000389198039 355840345 /nfs/dbraw/zinc/84/03/45/355840345.db2.gz BRBRXUFPMWALGV-SNVBAGLBSA-N 1 0 202.342 1.076 10 0 BDAERO NC(=O)C1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000071549097 181215253 /nfs/dbraw/zinc/21/52/53/181215253.db2.gz DUSXADVBFQVILK-UHFFFAOYSA-N 1 0 238.718 1.447 10 0 BDAERO C[C@H]1C[C@@H]1C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167383538 355986463 /nfs/dbraw/zinc/98/64/63/355986463.db2.gz XKRWBRLEQBZIEW-ONGXEEELSA-N 1 0 230.311 1.927 10 0 BDAERO NC(=O)CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000044352923 181222142 /nfs/dbraw/zinc/22/21/42/181222142.db2.gz GCTLRUBNKMBVPT-LLVKDONJSA-N 1 0 210.321 1.516 10 0 BDAERO NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000041297969 181222644 /nfs/dbraw/zinc/22/26/44/181222644.db2.gz TWIHHWSOYPZRNT-UHFFFAOYSA-N 1 0 246.354 1.817 10 0 BDAERO NC(=O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061324171 181237189 /nfs/dbraw/zinc/23/71/89/181237189.db2.gz MXQLIOYEEZBGQS-MRVPVSSYSA-N 1 0 210.302 1.200 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccccc1Br ZINC000020577888 181241527 /nfs/dbraw/zinc/24/15/27/181241527.db2.gz ITYVOJHPOQGLEC-MRVPVSSYSA-N 1 0 243.104 1.324 10 0 BDAERO NC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107823109 181252061 /nfs/dbraw/zinc/25/20/61/181252061.db2.gz NTSKEHBZFCADNG-JTQLQIEISA-N 1 0 211.309 1.015 10 0 BDAERO NC(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036263776 181260115 /nfs/dbraw/zinc/26/01/15/181260115.db2.gz FHEQZXXRRIAMML-SECBINFHSA-N 1 0 211.309 1.110 10 0 BDAERO NC(=O)[C@@H]([NH2+]Cc1ccccc1)[C@H]1CC=CCC1 ZINC000037941326 181265351 /nfs/dbraw/zinc/26/53/51/181265351.db2.gz OKJOSENXJYHKNK-KBPBESRZSA-N 1 0 244.338 1.986 10 0 BDAERO Cc1ccncc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000336124773 134092641 /nfs/dbraw/zinc/09/26/41/134092641.db2.gz BSDVOUKTUCCZAB-NSHDSACASA-N 1 0 233.315 1.343 10 0 BDAERO Cc1cncc(C(=O)[C@@](C)([NH3+])C2CC2)c1 ZINC000168574257 356424148 /nfs/dbraw/zinc/42/41/48/356424148.db2.gz ZKNXBEZQAOPVJN-LBPRGKRZSA-N 1 0 204.273 1.700 10 0 BDAERO O=C(Cc1nccs1)[C@@H]1CCCC[NH2+]1 ZINC000167689065 356429905 /nfs/dbraw/zinc/42/99/05/356429905.db2.gz AGIXPMKBGBNIOR-QMMMGPOBSA-N 1 0 210.302 1.397 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCCCC1)[C@H]1CCOC1 ZINC000037970518 181277855 /nfs/dbraw/zinc/27/78/55/181277855.db2.gz NYZJGLDMDVBSAT-CMPLNLGQSA-N 1 0 240.347 1.189 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCCCC1)C1CC1 ZINC000041047454 181277994 /nfs/dbraw/zinc/27/79/94/181277994.db2.gz UZDNCXFZJBFSMM-LLVKDONJSA-N 1 0 210.321 1.563 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCCC1)c1ccc(O)cc1 ZINC000037969760 181278294 /nfs/dbraw/zinc/27/82/94/181278294.db2.gz QMUDEEBBDVTHIC-CYBMUJFWSA-N 1 0 248.326 1.841 10 0 BDAERO NC(=O)[C@H]1C[NH2+]C[C@@H](c2ccc(F)cc2)C1 ZINC000082162832 181283506 /nfs/dbraw/zinc/28/35/06/181283506.db2.gz WKRMGQJZQSKDNJ-VHSXEESVSA-N 1 0 222.263 1.004 10 0 BDAERO CC(=O)N1CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000336189546 134122853 /nfs/dbraw/zinc/12/28/53/134122853.db2.gz CPWNRFAKCUEZMN-LLVKDONJSA-N 1 0 246.301 1.586 10 0 BDAERO CCc1nnc(CN2CC[C@H](C)[C@H](C)C2)n1C ZINC000179690970 366285875 /nfs/dbraw/zinc/28/58/75/366285875.db2.gz HVVBGWSXYGSZNJ-WDEREUQCSA-N 1 0 236.363 1.855 10 0 BDAERO Cc1ccccc1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000384293520 356558637 /nfs/dbraw/zinc/55/86/37/356558637.db2.gz DWBOLCCXDXNXQQ-OAHLLOKOSA-N 1 0 248.370 1.541 10 0 BDAERO C[C@H](CCCCO)[NH2+][C@@H](C)c1nncn1C ZINC000381045637 538466865 /nfs/dbraw/zinc/46/68/65/538466865.db2.gz DFILYCUUQBQJNV-ZJUUUORDSA-N 1 0 226.324 1.017 10 0 BDAERO C[C@@H](C[NH3+])[C@@H](O)c1cncc(Br)c1 ZINC000125162048 538464113 /nfs/dbraw/zinc/46/41/13/538464113.db2.gz GFZHIJDFKZRKMX-IMTBSYHQSA-N 1 0 245.120 1.472 10 0 BDAERO COc1cccnc1N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630093372 363526851 /nfs/dbraw/zinc/52/68/51/363526851.db2.gz NKJNJSUJAROGEC-UWVGGRQHSA-N 1 0 221.304 1.121 10 0 BDAERO COc1cccnc1N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630093374 363527080 /nfs/dbraw/zinc/52/70/80/363527080.db2.gz NKJNJSUJAROGEC-VHSXEESVSA-N 1 0 221.304 1.121 10 0 BDAERO Cc1cc(F)ccc1[C@H]1CC[NH2+]C[C@H]1N ZINC000675056182 538477920 /nfs/dbraw/zinc/47/79/20/538477920.db2.gz LDLKJEYHKLFKTK-VXGBXAGGSA-N 1 0 208.280 1.538 10 0 BDAERO CC(C)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056969 538478692 /nfs/dbraw/zinc/47/86/92/538478692.db2.gz SHUPRTJZIOQPCQ-UHFFFAOYSA-N 1 0 231.361 1.342 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1COc2c(F)cc(F)cc2C1 ZINC000675063801 538490447 /nfs/dbraw/zinc/49/04/47/538490447.db2.gz PAKHUUFJPJWQHD-SVRRBLITSA-N 1 0 213.227 1.863 10 0 BDAERO CC(C)(C)C(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675069069 538497478 /nfs/dbraw/zinc/49/74/78/538497478.db2.gz GHJVMNFCMOEMSS-BXKDBHETSA-N 1 0 210.321 1.291 10 0 BDAERO CCC(O)(CC)C[N@H+](C)CC1CC(O)C1 ZINC000168044117 134155647 /nfs/dbraw/zinc/15/56/47/134155647.db2.gz GUXRDTDTQCEFCV-UHFFFAOYSA-N 1 0 215.337 1.240 10 0 BDAERO COc1ccc(F)c2nc(OC)c(C[NH3+])cc12 ZINC000675069670 538499549 /nfs/dbraw/zinc/49/95/49/538499549.db2.gz KPSUXNLPWSBHNI-UHFFFAOYSA-N 1 0 236.246 1.850 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]2C[C@@H](NC(=O)C3CCC3)[C@@H]2C1 ZINC000675070092 538499984 /nfs/dbraw/zinc/49/99/84/538499984.db2.gz LIPGNNYFHHKWBE-HJQYOEGKSA-N 1 0 222.332 1.276 10 0 BDAERO CC1(C(=O)NC[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC000675070346 538500754 /nfs/dbraw/zinc/50/07/54/538500754.db2.gz ORDWOTKPFCILKL-BXKDBHETSA-N 1 0 208.305 1.045 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675070638 538500949 /nfs/dbraw/zinc/50/09/49/538500949.db2.gz QWWJNUHPJXAOBM-ZOLYEBIHSA-N 1 0 238.375 1.912 10 0 BDAERO CCCCNC(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675070615 538501248 /nfs/dbraw/zinc/50/12/48/538501248.db2.gz QEDLEHMZSQSFSR-JQWIXIFHSA-N 1 0 225.336 1.228 10 0 BDAERO COc1ccc(F)cc1NC1=[NH+]CCN1 ZINC000675072385 538503654 /nfs/dbraw/zinc/50/36/54/538503654.db2.gz FDIVZUXIXGEDIO-UHFFFAOYSA-N 1 0 209.224 1.205 10 0 BDAERO OC[C@H]1[NH2+]CCOc2c(F)cc(Cl)cc21 ZINC000675073479 538505728 /nfs/dbraw/zinc/50/57/28/538505728.db2.gz JTCVCFQQRJTNBT-SECBINFHSA-N 1 0 231.654 1.495 10 0 BDAERO OC[C@@H]1[NH2+]CCOc2ccc(Cl)cc21 ZINC000675073739 538506462 /nfs/dbraw/zinc/50/64/62/538506462.db2.gz MWVVZNIBRWJCBI-VIFPVBQESA-N 1 0 213.664 1.355 10 0 BDAERO COC(=O)[C@H](C[NH3+])[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000675073809 538506491 /nfs/dbraw/zinc/50/64/91/538506491.db2.gz UJARCAWHVGXYON-UKKRHICBSA-N 1 0 213.321 1.807 10 0 BDAERO COC(=O)c1cc(Br)cnc1C[NH3+] ZINC000675075971 538510217 /nfs/dbraw/zinc/51/02/17/538510217.db2.gz XYDNAJWQDAPCGB-UHFFFAOYSA-N 1 0 245.076 1.089 10 0 BDAERO CC(C)C(=O)CCCN1CC[NH2+]C[C@@H]1C ZINC000675075781 538510604 /nfs/dbraw/zinc/51/06/04/538510604.db2.gz VAYYUDUIWGDUIF-NSHDSACASA-N 1 0 212.337 1.285 10 0 BDAERO Cc1cc(F)cc(C2=C[C@H](O)C[NH2+]C2)c1 ZINC000675076304 538511712 /nfs/dbraw/zinc/51/17/12/538511712.db2.gz AQSRAHNFZWCGQA-LBPRGKRZSA-N 1 0 207.248 1.482 10 0 BDAERO O[C@H]1C=C(c2cc(F)ccc2Cl)C[NH2+]C1 ZINC000675077920 538513669 /nfs/dbraw/zinc/51/36/69/538513669.db2.gz TXTDBICGHBFUBE-VIFPVBQESA-N 1 0 227.666 1.827 10 0 BDAERO COc1ccc(C2=C[C@H](O)C[NH2+]C2)s1 ZINC000675077742 538514339 /nfs/dbraw/zinc/51/43/39/538514339.db2.gz RDUCMUQIBWVOFE-QMMMGPOBSA-N 1 0 211.286 1.104 10 0 BDAERO [NH3+][C@H]1C=C(c2ccc(F)cc2F)CNC1 ZINC000675078349 538515122 /nfs/dbraw/zinc/51/51/22/538515122.db2.gz OWVQDNNJBJYPPL-VIFPVBQESA-N 1 0 210.227 1.279 10 0 BDAERO [NH3+][C@@H]1C=C(c2cnc(C3CC3)s2)CNC1 ZINC000675077870 538515634 /nfs/dbraw/zinc/51/56/34/538515634.db2.gz JNDWCKWSSDQASX-SECBINFHSA-N 1 0 221.329 1.334 10 0 BDAERO [NH3+][C@H]1C=C(c2cscc2C(F)F)CNC1 ZINC000675078806 538516569 /nfs/dbraw/zinc/51/65/69/538516569.db2.gz SXQYWWMAJVYJTK-ZETCQYMHSA-N 1 0 230.283 2.000 10 0 BDAERO CC(C)(C)OC(=O)N1CC(C2CC2)=C[C@H]([NH3+])C1 ZINC000675079034 538517501 /nfs/dbraw/zinc/51/75/01/538517501.db2.gz VDLNDMMWCQTRHC-NSHDSACASA-N 1 0 238.331 1.901 10 0 BDAERO CO[C@@H]1CCC[C@@H](C2=C[C@H](O)C[NH2+]C2)C1 ZINC000675077292 538511949 /nfs/dbraw/zinc/51/19/49/538511949.db2.gz KYFJRCVMAPVHPD-ADEWGFFLSA-N 1 0 211.305 1.082 10 0 BDAERO Cc1cccc(C2=C[C@@H](N)C[NH2+]C2)c1C ZINC000675077391 538512215 /nfs/dbraw/zinc/51/22/15/538512215.db2.gz DFCUUBWFTOZBTF-GFCCVEGCSA-N 1 0 202.301 1.617 10 0 BDAERO C(CN1C[C@@H]2CCC[C@H]2C1)[NH2+]CC1CC1 ZINC000126303745 538532600 /nfs/dbraw/zinc/53/26/00/538532600.db2.gz CLCUXYNUUPVWLA-STQMWFEESA-N 1 0 208.349 1.718 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2ccc(F)cc2F)C(=O)O1 ZINC000084549600 538533699 /nfs/dbraw/zinc/53/36/99/538533699.db2.gz SCZLEWNNJGIJTR-MRVPVSSYSA-N 1 0 242.225 1.509 10 0 BDAERO CC[C@H](C[NH3+])[C@H](O)c1csc(C)n1 ZINC000127059499 538539301 /nfs/dbraw/zinc/53/93/01/538539301.db2.gz UJEQWSWIQRQCCB-APPZFPTMSA-N 1 0 200.307 1.470 10 0 BDAERO Cn1nc(-c2ccccc2)nc1C1C[NH2+]C1 ZINC000086194561 538551156 /nfs/dbraw/zinc/55/11/56/538551156.db2.gz SEKVKVXYYOQPFT-UHFFFAOYSA-N 1 0 214.272 1.169 10 0 BDAERO O=C(C[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000086499781 538556171 /nfs/dbraw/zinc/55/61/71/538556171.db2.gz UFHVVGJSBXELIU-VIFPVBQESA-N 1 0 205.261 1.192 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CCC1(C)C ZINC000084237594 538528953 /nfs/dbraw/zinc/52/89/53/538528953.db2.gz YFWWYSXNDODXMP-VIFPVBQESA-N 1 0 228.336 1.899 10 0 BDAERO CC(C)CC(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000129794786 538577101 /nfs/dbraw/zinc/57/71/01/538577101.db2.gz BMPFKGUAUDVKFK-GHMZBOCLSA-N 1 0 212.337 1.394 10 0 BDAERO CCCc1c(Br)c(C[NH3+])nn1C ZINC000222764194 538584542 /nfs/dbraw/zinc/58/45/42/538584542.db2.gz WOPURRAZSRGRNN-UHFFFAOYSA-N 1 0 232.125 1.594 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000163073196 202169538 /nfs/dbraw/zinc/16/95/38/202169538.db2.gz VTZCDNKIRKPABD-LLVKDONJSA-N 1 0 215.337 1.384 10 0 BDAERO Cc1cc(C)nc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389729992 357021646 /nfs/dbraw/zinc/02/16/46/357021646.db2.gz ORMPYSLJUKCNPX-GZMMTYOYSA-N 1 0 220.320 1.503 10 0 BDAERO Cc1cc(C)nc(N[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389729994 357021939 /nfs/dbraw/zinc/02/19/39/357021939.db2.gz ORMPYSLJUKCNPX-KCJUWKMLSA-N 1 0 220.320 1.503 10 0 BDAERO Cc1cnc(N[C@H]2C[NH2+]CC[C@H]2C)nc1C ZINC000389747497 357022927 /nfs/dbraw/zinc/02/29/27/357022927.db2.gz HWWAFSNKIKOSEM-KCJUWKMLSA-N 1 0 220.320 1.503 10 0 BDAERO Fc1ccc(NC[C@@H]2C[NH2+]CCCO2)nc1 ZINC000389905211 357064829 /nfs/dbraw/zinc/06/48/29/357064829.db2.gz PCFCDEBZGDILIR-JTQLQIEISA-N 1 0 225.267 1.011 10 0 BDAERO Fc1ccc(NC[C@H]2C[NH2+]CCCO2)nc1 ZINC000389905212 357064936 /nfs/dbraw/zinc/06/49/36/357064936.db2.gz PCFCDEBZGDILIR-SNVBAGLBSA-N 1 0 225.267 1.011 10 0 BDAERO CCC(CC)(CC)CNC(=O)[C@@H](C)[NH2+]C ZINC000391280112 357126514 /nfs/dbraw/zinc/12/65/14/357126514.db2.gz FLPXBYHZZILGGG-SNVBAGLBSA-N 1 0 214.353 1.927 10 0 BDAERO CC(C)(C)NC(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157205244 538812957 /nfs/dbraw/zinc/81/29/57/538812957.db2.gz FDTSJYICKSWAEQ-NSHDSACASA-N 1 0 213.325 1.226 10 0 BDAERO CC1(C)C[NH+]=C(N[C@H]2CCOC2)SC1 ZINC000168763591 357226065 /nfs/dbraw/zinc/22/60/65/357226065.db2.gz OCRMBLZOEISODT-QMMMGPOBSA-N 1 0 214.334 1.494 10 0 BDAERO C[C@@H]1C[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)CS1 ZINC000300049708 357177054 /nfs/dbraw/zinc/17/70/54/357177054.db2.gz UJCABGXUIQZDRW-DOLQZWNJSA-N 1 0 200.351 1.159 10 0 BDAERO C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C ZINC000130074141 357177492 /nfs/dbraw/zinc/17/74/92/357177492.db2.gz VNXXBSCOBQSFPZ-GXSJLCMTSA-N 1 0 210.346 1.930 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@H](O)c1ccco1 ZINC000300053103 357180471 /nfs/dbraw/zinc/18/04/71/357180471.db2.gz MURCIXSSVKWMNG-SCZZXKLOSA-N 1 0 213.302 1.360 10 0 BDAERO C[N@@H+]1CCSC[C@H]1[C@H](O)C1CCCC1 ZINC000300052946 357180749 /nfs/dbraw/zinc/18/07/49/357180749.db2.gz LQPDGXLRCOJFJD-WDEREUQCSA-N 1 0 215.362 1.585 10 0 BDAERO C[S@@](=O)C1(C[NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC000393701337 357293631 /nfs/dbraw/zinc/29/36/31/357293631.db2.gz CGMKPRIGZHKARQ-MGPLVRAMSA-N 1 0 247.404 1.284 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000393911568 357306569 /nfs/dbraw/zinc/30/65/69/357306569.db2.gz CQRDVVPHYJZYLL-CSYMLDBXSA-N 1 0 213.321 1.709 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000393251287 357279869 /nfs/dbraw/zinc/27/98/69/357279869.db2.gz CAMPXDNTYPNYKN-ZOBORPQBSA-N 1 0 217.312 1.761 10 0 BDAERO [NH3+][C@@H]1c2cc(Br)ccc2CC[C@H]1O ZINC000039941463 491110675 /nfs/dbraw/zinc/11/06/75/491110675.db2.gz UFBIQGKVIWRVFU-NXEZZACHSA-N 1 0 242.116 1.756 10 0 BDAERO [NH3+][C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000039941423 491110678 /nfs/dbraw/zinc/11/06/78/491110678.db2.gz UUZCGULQGOPKJA-RKDXNWHRSA-N 1 0 218.083 1.910 10 0 BDAERO CN(CC1CCCCC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188310761 357526620 /nfs/dbraw/zinc/52/66/20/357526620.db2.gz ANOVYWAMXVSJNT-NWDGAFQWSA-N 1 0 242.338 1.725 10 0 BDAERO C[C@@H]1CC[C@@H](C[N@@H+]2CCCN(C3CC3)CC2)O1 ZINC000188551453 357561941 /nfs/dbraw/zinc/56/19/41/357561941.db2.gz DCFLBWKTORTUPF-OCCSQVGLSA-N 1 0 238.375 1.724 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccs1 ZINC000085790276 357622852 /nfs/dbraw/zinc/62/28/52/357622852.db2.gz HXSULRXTWJHYCY-QWRGUYRKSA-N 1 0 240.372 1.729 10 0 BDAERO FC(F)COCCN1CCC[N@@H+](C2CC2)CC1 ZINC000188953468 357605460 /nfs/dbraw/zinc/60/54/60/357605460.db2.gz GPUAXEFDSZBOFM-UHFFFAOYSA-N 1 0 248.317 1.438 10 0 BDAERO CC(C)CNC(=O)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685946773 538886201 /nfs/dbraw/zinc/88/62/01/538886201.db2.gz NDTCMHDCJOYFIC-CMPLNLGQSA-N 1 0 225.336 1.084 10 0 BDAERO C/C=C/C(=O)N[C@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000685939275 538886579 /nfs/dbraw/zinc/88/65/79/538886579.db2.gz SMUFTFNSTWQOIY-XMXMHJJKSA-N 1 0 224.348 1.703 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@@H]1c1ccc(F)c(C)c1 ZINC000685945864 538886882 /nfs/dbraw/zinc/88/68/82/538886882.db2.gz CSHWPQUDKURUSE-YPMHNXCESA-N 1 0 222.307 1.928 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000685946020 538887668 /nfs/dbraw/zinc/88/76/68/538887668.db2.gz BUBQFXCVMXKKBX-JOYOIKCWSA-N 1 0 210.321 1.372 10 0 BDAERO CC(C)CC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685946917 538887909 /nfs/dbraw/zinc/88/79/09/538887909.db2.gz GSPGQFYJOLXGCT-UHFFFAOYSA-N 1 0 210.321 1.245 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@@H]1c1cccc(N)c1 ZINC000685946334 538887915 /nfs/dbraw/zinc/88/79/15/538887915.db2.gz PNWZMAFXKUGOPA-NEPJUHHUSA-N 1 0 205.305 1.063 10 0 BDAERO CCC(C)(C)NC(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685946356 538887925 /nfs/dbraw/zinc/88/79/25/538887925.db2.gz QTRSTHFKRJNTBZ-BDAKNGLRSA-N 1 0 231.315 1.256 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@@H]1c1cc(F)cc(F)c1 ZINC000685946339 538888373 /nfs/dbraw/zinc/88/83/73/538888373.db2.gz PQIGHBNGZSEQAQ-MNOVXSKESA-N 1 0 212.243 1.369 10 0 BDAERO CC(C)CC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000685947160 538888610 /nfs/dbraw/zinc/88/86/10/538888610.db2.gz SEHQQHNCCPRHAB-JQWIXIFHSA-N 1 0 210.321 1.372 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685946970 538888736 /nfs/dbraw/zinc/88/87/36/538888736.db2.gz XYSMIDLGZOPDJK-LPEHRKFASA-N 1 0 231.315 1.030 10 0 BDAERO CC(C)CNC(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000685947202 538888841 /nfs/dbraw/zinc/88/88/41/538888841.db2.gz GONHHQJDYZEQJJ-NSHDSACASA-N 1 0 213.325 1.084 10 0 BDAERO CC[C@]1(NC(=O)[C@@H](C)C(C)C)CCC[NH2+]C1 ZINC000685947408 538889362 /nfs/dbraw/zinc/88/93/62/538889362.db2.gz MZSRBYMUWYFHOB-AAEUAGOBSA-N 1 0 226.364 1.927 10 0 BDAERO CCCCNC(=O)N[C@@]1(CC)CCC[NH2+]C1 ZINC000685948072 538890241 /nfs/dbraw/zinc/89/02/41/538890241.db2.gz WJBPPNPJVXAXPM-LBPRGKRZSA-N 1 0 227.352 1.618 10 0 BDAERO OC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H]3CC[C@H]32)C1 ZINC000685948229 538890334 /nfs/dbraw/zinc/89/03/34/538890334.db2.gz BRDDJFDFZGRONW-FDYHWXHSSA-N 1 0 209.333 1.879 10 0 BDAERO OC[C@H]1CC[N@@H+]([C@H]2CCOC23CCCC3)C1 ZINC000685948579 538891109 /nfs/dbraw/zinc/89/11/09/538891109.db2.gz CEGMFQVYFACXNO-RYUDHWBXSA-N 1 0 225.332 1.402 10 0 BDAERO C[C@@H]1CCC[N@@H+]([C@@H]2CCNC[C@H]2F)[C@@H]1C ZINC000685948578 538891390 /nfs/dbraw/zinc/89/13/90/538891390.db2.gz QNQSHILBZRIYJG-DDHJBXDOSA-N 1 0 214.328 1.807 10 0 BDAERO CC(C)(C)C(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685948860 538891851 /nfs/dbraw/zinc/89/18/51/538891851.db2.gz HJWAKQMEEHHGDM-MFKMUULPSA-N 1 0 224.348 1.823 10 0 BDAERO O=C(CC1CC1)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949050 538892011 /nfs/dbraw/zinc/89/20/11/538892011.db2.gz JQKIIQPVHOTGHF-DGCLKSJQSA-N 1 0 222.332 1.577 10 0 BDAERO CC1(C(=O)N2CC[C@]3([NH3+])CCCC[C@H]23)CC1 ZINC000685949307 538892409 /nfs/dbraw/zinc/89/24/09/538892409.db2.gz PBDCIDGVMOFEPP-GXFFZTMASA-N 1 0 222.332 1.659 10 0 BDAERO CCCNC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949217 538892529 /nfs/dbraw/zinc/89/25/29/538892529.db2.gz MGTSYKHXXGKJHP-ZYHUDNBSSA-N 1 0 225.336 1.370 10 0 BDAERO CCNC(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000685949404 538892544 /nfs/dbraw/zinc/89/25/44/538892544.db2.gz RJUMMVYYLCDIJQ-GXSJLCMTSA-N 1 0 211.309 1.062 10 0 BDAERO Nc1[nH+]ccn1CCOCc1ccccc1 ZINC000685951174 538894813 /nfs/dbraw/zinc/89/48/13/538894813.db2.gz OELHVQKCKKXWQS-UHFFFAOYSA-N 1 0 217.272 1.682 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCSC[C@H]1C ZINC000685951748 538895506 /nfs/dbraw/zinc/89/55/06/538895506.db2.gz XHXZOFMKODQYDJ-GMTAPVOTSA-N 1 0 228.405 1.668 10 0 BDAERO CCN1CCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000233484135 357725270 /nfs/dbraw/zinc/72/52/70/357725270.db2.gz JCGDPHAHTGFRBZ-CPCZMJQVSA-N 1 0 226.364 1.364 10 0 BDAERO CO[C@@H]1C[C@H](c2nc(C)no2)N(CC2CC2)C1 ZINC000190102906 357688657 /nfs/dbraw/zinc/68/86/57/357688657.db2.gz KUEXKAUAPOTLKI-GHMZBOCLSA-N 1 0 237.303 1.550 10 0 BDAERO CCCCc1noc(CN2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000233030471 357692004 /nfs/dbraw/zinc/69/20/04/357692004.db2.gz ABNNXQYFPCUIOX-ZJUUUORDSA-N 1 0 238.335 1.191 10 0 BDAERO CCn1cncc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000085184201 134225507 /nfs/dbraw/zinc/22/55/07/134225507.db2.gz BAFODFFZVKNEBM-ZYHUDNBSSA-N 1 0 223.320 1.154 10 0 BDAERO CC(C)=CC[NH2+]Cc1cccnc1-n1cncn1 ZINC000192286233 357827927 /nfs/dbraw/zinc/82/79/27/357827927.db2.gz MEQWPPIQQPWAHM-UHFFFAOYSA-N 1 0 243.314 1.718 10 0 BDAERO CCOCCC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639941998 357961735 /nfs/dbraw/zinc/96/17/35/357961735.db2.gz SVPFGQHUUHFOLU-GHMZBOCLSA-N 1 0 201.310 1.258 10 0 BDAERO CCn1ccnc(NCCC[NH2+]C(C)C)c1=O ZINC000583743227 357932310 /nfs/dbraw/zinc/93/23/10/357932310.db2.gz ZNFCPPGWGMTOAZ-UHFFFAOYSA-N 1 0 238.335 1.063 10 0 BDAERO Cc1cnn(CC[N@H+]2CC[C@@H](O)C[C@H]2C)c1 ZINC000639938901 357945436 /nfs/dbraw/zinc/94/54/36/357945436.db2.gz PUINUQLQDYZZGY-VXGBXAGGSA-N 1 0 223.320 1.037 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)N(C)C1CC1 ZINC000218991051 357973768 /nfs/dbraw/zinc/97/37/68/357973768.db2.gz PHFNJQQSCIUKRC-CYZMBNFOSA-N 1 0 226.364 1.362 10 0 BDAERO CCCN(CC)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000219404732 358001000 /nfs/dbraw/zinc/00/10/00/358001000.db2.gz OJJAGTVDCNMBGW-CHWSQXEVSA-N 1 0 228.380 1.611 10 0 BDAERO C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000086013780 358054449 /nfs/dbraw/zinc/05/44/49/358054449.db2.gz YLEUXQTVMJGNPW-TUAOUCFPSA-N 1 0 224.348 1.491 10 0 BDAERO CN(CCC[NH3+])c1ccc(Br)cn1 ZINC000037673633 358092055 /nfs/dbraw/zinc/09/20/55/358092055.db2.gz LKWNAUWCXCHQJG-UHFFFAOYSA-N 1 0 244.136 1.629 10 0 BDAERO CO[C@@H]([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000388285199 358127620 /nfs/dbraw/zinc/12/76/20/358127620.db2.gz PXXHWOXWKKKWQS-WCQGTBRESA-N 1 0 229.364 1.797 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000392887494 259478470 /nfs/dbraw/zinc/47/84/70/259478470.db2.gz LSYOIQPSLBKPMH-JQWIXIFHSA-N 1 0 240.347 1.060 10 0 BDAERO NC(=O)c1cccc2c1[C@@H]1CC[NH2+][C@@H]1CC2 ZINC000038417273 358151234 /nfs/dbraw/zinc/15/12/34/358151234.db2.gz SNAKEQIDRIAHKP-MWLCHTKSSA-N 1 0 216.284 1.177 10 0 BDAERO Cc1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)oc1C ZINC000171637930 134257788 /nfs/dbraw/zinc/25/77/88/134257788.db2.gz AMBJKYDGQSULSB-GFCCVEGCSA-N 1 0 235.331 1.571 10 0 BDAERO CCOc1nccnc1NCC[C@H]1CC[NH2+]C1 ZINC000584770533 358178088 /nfs/dbraw/zinc/17/80/88/358178088.db2.gz ZODIUCAGUOABBK-SNVBAGLBSA-N 1 0 236.319 1.287 10 0 BDAERO COc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000039386589 358226072 /nfs/dbraw/zinc/22/60/72/358226072.db2.gz AFQLBXRBQFNNED-SNVBAGLBSA-N 1 0 234.299 1.129 10 0 BDAERO CCC[C@H](CC)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000224506660 358234849 /nfs/dbraw/zinc/23/48/49/358234849.db2.gz GHTZPLUTOGIASK-HBNTYKKESA-N 1 0 228.336 1.058 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000040630763 358244520 /nfs/dbraw/zinc/24/45/20/358244520.db2.gz GNTVJBNQDSQBFY-DGCLKSJQSA-N 1 0 248.326 1.619 10 0 BDAERO CCC1CCN(C(=O)[C@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000040636397 358245011 /nfs/dbraw/zinc/24/50/11/358245011.db2.gz FGNGSUULZOTEGS-VXGBXAGGSA-N 1 0 240.347 1.012 10 0 BDAERO COc1ccc([C@H](C)[NH3+])cc1N1CCOCC1 ZINC000584595402 358252478 /nfs/dbraw/zinc/25/24/78/358252478.db2.gz OBRXVBIOABJBLA-JTQLQIEISA-N 1 0 236.315 1.552 10 0 BDAERO COC(=O)c1ccc([C@H]2C[C@H](OC)CC[NH2+]2)cc1 ZINC000584598157 358255851 /nfs/dbraw/zinc/25/58/51/358255851.db2.gz BGDKBYLDRLQYKV-CHWSQXEVSA-N 1 0 249.310 1.913 10 0 BDAERO COc1cccc2c1C[C@@H]1[NH2+]C[C@H](C)O[C@@H]1C2 ZINC000584625375 358294244 /nfs/dbraw/zinc/29/42/44/358294244.db2.gz BUQXJRALBZGOIJ-DUFXMDAXSA-N 1 0 233.311 1.539 10 0 BDAERO CN(C(=O)c1ccc(Cl)s1)C1C[NH2+]C1 ZINC000085257588 134269045 /nfs/dbraw/zinc/26/90/45/134269045.db2.gz YMNZYIYMXLZNQF-UHFFFAOYSA-N 1 0 230.720 1.445 10 0 BDAERO CCCC(=O)Oc1ccc(C[C@H]([NH3+])CO)cc1 ZINC000584650607 358304960 /nfs/dbraw/zinc/30/49/60/358304960.db2.gz ZGPUPSDLBBYFTL-NSHDSACASA-N 1 0 237.299 1.254 10 0 BDAERO COc1ccc2c(c1)CC[C@@H]([NH3+])CC2=O ZINC000584640339 358326135 /nfs/dbraw/zinc/32/61/35/358326135.db2.gz ZSTOORMAWLLLII-SECBINFHSA-N 1 0 205.257 1.542 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2ncnc3[nH]ccc32)C[NH2+]1 ZINC000584640355 358326501 /nfs/dbraw/zinc/32/65/01/358326501.db2.gz QRZXLCPZJWWANB-RKDXNWHRSA-N 1 0 231.303 1.510 10 0 BDAERO C[C@@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226235629 358336151 /nfs/dbraw/zinc/33/61/51/358336151.db2.gz KELBEVOHBODBLF-LNFKQOIKSA-N 1 0 201.310 1.039 10 0 BDAERO CN(C(=O)[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226458265 358340144 /nfs/dbraw/zinc/34/01/44/358340144.db2.gz AZNYFTHNLYPSCD-QWHCGFSZSA-N 1 0 236.359 1.943 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1CCC1 ZINC000173438915 134274294 /nfs/dbraw/zinc/27/42/94/134274294.db2.gz BDWYKWBRVRGPGN-WCQYABFASA-N 1 0 236.359 1.872 10 0 BDAERO CCc1nc([C@@H]2CN(CC(C)C)CCO2)n[nH]1 ZINC000173685646 134275890 /nfs/dbraw/zinc/27/58/90/134275890.db2.gz RTLCGQHFRBCZHN-JTQLQIEISA-N 1 0 238.335 1.396 10 0 BDAERO C[NH2+][C@H]1CCN([C@H]2CCCSC2)C1 ZINC000252686629 366430976 /nfs/dbraw/zinc/43/09/76/366430976.db2.gz JZLYMSUJPFJOQW-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO CC(C)Oc1cc(N[C@@H](C)C[C@H](C)[NH3+])ncn1 ZINC000228266407 358372115 /nfs/dbraw/zinc/37/21/15/358372115.db2.gz RXUSRQZUYQIULJ-UWVGGRQHSA-N 1 0 238.335 1.802 10 0 BDAERO COc1cc(OC)nc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000228267326 358372443 /nfs/dbraw/zinc/37/24/43/358372443.db2.gz HKWFERPVLMHADP-SFYZADRCSA-N 1 0 240.307 1.032 10 0 BDAERO NC(=O)c1ccc(Cl)cc1O[C@@H]1CC[NH2+]C1 ZINC000062786574 181297090 /nfs/dbraw/zinc/29/70/90/181297090.db2.gz LHMRPCLHYJHJDG-MRVPVSSYSA-N 1 0 240.690 1.180 10 0 BDAERO C[C@]1(C(=O)N[C@@H]2CCSC2)CCCC[NH2+]1 ZINC000227695453 358361360 /nfs/dbraw/zinc/36/13/60/358361360.db2.gz YGIPTKBRECIUPN-MWLCHTKSSA-N 1 0 228.361 1.140 10 0 BDAERO O=C1C=C2C=C[C@H]3C[C@]2(O1)[C@@H]1CCC[N@@H+]31 ZINC000019816074 358433195 /nfs/dbraw/zinc/43/31/95/358433195.db2.gz NBGOALXYAZVRPS-JBLDHEPKSA-N 1 0 203.241 1.015 10 0 in-vitro BDAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000044500060 358549518 /nfs/dbraw/zinc/54/95/18/358549518.db2.gz ZPKQBWOVGLFDTO-WCQYABFASA-N 1 0 236.363 1.555 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000044500058 358549845 /nfs/dbraw/zinc/54/98/45/358549845.db2.gz ZPKQBWOVGLFDTO-AAEUAGOBSA-N 1 0 236.363 1.555 10 0 BDAERO c1cc(C[NH2+]CCc2c[nH]cn2)cs1 ZINC000045946397 358568132 /nfs/dbraw/zinc/56/81/32/358568132.db2.gz PECJPXDFUDESCF-UHFFFAOYSA-N 1 0 207.302 1.804 10 0 BDAERO FCCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000130293520 358616859 /nfs/dbraw/zinc/61/68/59/358616859.db2.gz LWLCJBRQIIULQC-JTQLQIEISA-N 1 0 212.272 1.275 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1cc(OCC)ncn1 ZINC000130595543 358633461 /nfs/dbraw/zinc/63/34/61/358633461.db2.gz DGOCXPRSQOTYOX-JTQLQIEISA-N 1 0 238.335 1.805 10 0 BDAERO COC[C@@H](C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000175795520 134288901 /nfs/dbraw/zinc/28/89/01/134288901.db2.gz BIKVDESGJVYIOV-GHMZBOCLSA-N 1 0 244.379 1.361 10 0 BDAERO CC[C@@H](C)C[NH2+]Cc1cccnc1-n1cncn1 ZINC000133527642 358758136 /nfs/dbraw/zinc/75/81/36/358758136.db2.gz IFUAIFRNQSEGGU-LLVKDONJSA-N 1 0 245.330 1.798 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCCC(F)(F)F ZINC000133738055 358766632 /nfs/dbraw/zinc/76/66/32/358766632.db2.gz MLZQMOWGLOZJQE-SFYZADRCSA-N 1 0 238.253 1.301 10 0 BDAERO COCC1(c2ccccc2Cl)C[NH2+]C1 ZINC000160806294 358718438 /nfs/dbraw/zinc/71/84/38/358718438.db2.gz ARZPZHBNZGZNTE-UHFFFAOYSA-N 1 0 211.692 1.827 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000134240004 358783898 /nfs/dbraw/zinc/78/38/98/358783898.db2.gz IRWLPUMDKBSYJX-PWSUYJOCSA-N 1 0 237.347 1.905 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000052762278 358792572 /nfs/dbraw/zinc/79/25/72/358792572.db2.gz VLQJYRMDLVRHHG-ZDUSSCGKSA-N 1 0 227.348 1.650 10 0 BDAERO Cn1cc(C[N@@H+]2CCC[C@H]2CCCO)cn1 ZINC000052762800 358793354 /nfs/dbraw/zinc/79/33/54/358793354.db2.gz PTFLFOSXQYZSDV-LBPRGKRZSA-N 1 0 223.320 1.157 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC1CC1 ZINC000134759939 358804642 /nfs/dbraw/zinc/80/46/42/358804642.db2.gz MOUGIRLQWOZMPU-ZYHUDNBSSA-N 1 0 237.347 1.417 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)[C@H]1C[C@H]1C ZINC000321886279 259481281 /nfs/dbraw/zinc/48/12/81/259481281.db2.gz KLAJLQLTFPJDRK-NZHYYXIDSA-N 1 0 210.321 1.288 10 0 BDAERO C[C@H]1SCC[C@@H]1N1CC[NH2+][C@H](C)C1 ZINC000300351437 358970933 /nfs/dbraw/zinc/97/09/33/358970933.db2.gz AFKZTQFRNJGTEH-BBBLOLIVSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@@H]1SCC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000300358847 358971811 /nfs/dbraw/zinc/97/18/11/358971811.db2.gz BTGXVPCMGZRSQM-AXFHLTTASA-N 1 0 214.378 1.564 10 0 BDAERO C[C@@H]1C[NH+](CCc2ccccn2)C[C@@H](C)O1 ZINC000060474228 358925665 /nfs/dbraw/zinc/92/56/65/358925665.db2.gz FKZAAOJSLQZHME-VXGBXAGGSA-N 1 0 220.316 1.733 10 0 BDAERO CC(C)[N@H+](C)CC(=O)N[C@H]1COc2ccccc21 ZINC000060471964 358925671 /nfs/dbraw/zinc/92/56/71/358925671.db2.gz SYLOFQUVSFDTQT-LBPRGKRZSA-N 1 0 248.326 1.577 10 0 BDAERO O=C(c1cccnc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605888 358935426 /nfs/dbraw/zinc/93/54/26/358935426.db2.gz XMJLRYNCNSMLGX-UHFFFAOYSA-N 1 0 245.326 1.392 10 0 BDAERO CC(C)OCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177778472 134299736 /nfs/dbraw/zinc/29/97/36/134299736.db2.gz PXSWBJATUYFAQC-CQSZACIVSA-N 1 0 240.391 1.972 10 0 BDAERO CCO[C@H]1C[C@@H]([N@H+](C)CCO)C12CCCC2 ZINC000177796814 134300071 /nfs/dbraw/zinc/30/00/71/134300071.db2.gz FWXBMHHLQRSUII-NEPJUHHUSA-N 1 0 227.348 1.648 10 0 BDAERO CNC(=[NH2+])N[C@@H]1CCC[C@H](SC)C1 ZINC000300378002 358978248 /nfs/dbraw/zinc/97/82/48/358978248.db2.gz ARTFSULOLVSOGB-SFYZADRCSA-N 1 0 201.339 1.404 10 0 BDAERO CC[C@H]1CN([C@H]2CCSC2)CC[NH2+]1 ZINC000299965979 358957944 /nfs/dbraw/zinc/95/79/44/358957944.db2.gz DWCUJPTZGQXDAJ-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](c2ncc(Cl)s2)O1 ZINC000306197152 359025341 /nfs/dbraw/zinc/02/53/41/359025341.db2.gz OFKGOUXYJNGDPO-RITPCOANSA-N 1 0 218.709 1.975 10 0 BDAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)CCO1 ZINC000070360898 359050909 /nfs/dbraw/zinc/05/09/09/359050909.db2.gz STWPVWNDANUALI-UTUOFQBUSA-N 1 0 240.347 1.058 10 0 BDAERO CC[N@H+](C[C@@H](O)COC(C)(C)C)CC1CC1 ZINC000070014071 359039292 /nfs/dbraw/zinc/03/92/92/359039292.db2.gz QDWKYUOPHKXGES-GFCCVEGCSA-N 1 0 229.364 1.894 10 0 BDAERO CCS[C@@H]1CC[C@@H](NC(=[NH2+])NC)C1 ZINC000300390335 358987861 /nfs/dbraw/zinc/98/78/61/358987861.db2.gz RHFXDGMEFNNIGT-HTQZYQBOSA-N 1 0 201.339 1.404 10 0 BDAERO C[C@H]([NH3+])c1cnc(C[C@H]2CCOC2)s1 ZINC000160899942 358998429 /nfs/dbraw/zinc/99/84/29/358998429.db2.gz DVZJVRKBIJEONQ-JGVFFNPUSA-N 1 0 212.318 1.742 10 0 BDAERO OCCOCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000074328018 359115681 /nfs/dbraw/zinc/11/56/81/359115681.db2.gz UUPKFYHIDFZYOU-UHFFFAOYSA-N 1 0 247.338 1.785 10 0 BDAERO CC(C)C[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247023071 359185755 /nfs/dbraw/zinc/18/57/55/359185755.db2.gz CWJRQPPASBBUNG-NEPJUHHUSA-N 1 0 214.353 1.029 10 0 BDAERO CC(C)CC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246520044 359143937 /nfs/dbraw/zinc/14/39/37/359143937.db2.gz RGMVTQYOUZDSPL-UONOGXRCSA-N 1 0 240.391 1.685 10 0 BDAERO C(CN1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000246563685 359147400 /nfs/dbraw/zinc/14/74/00/359147400.db2.gz RXLSQMBBGOBWIG-QWHCGFSZSA-N 1 0 224.348 1.336 10 0 BDAERO CCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000246735793 359160390 /nfs/dbraw/zinc/16/03/90/359160390.db2.gz QAXMMAFCRIWHGO-KGLIPLIRSA-N 1 0 242.407 1.954 10 0 BDAERO Cc1nnc(N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000246952712 359177101 /nfs/dbraw/zinc/17/71/01/359177101.db2.gz KCZLSEVHCMICLM-VIFPVBQESA-N 1 0 224.333 1.131 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000247289752 359209127 /nfs/dbraw/zinc/20/91/27/359209127.db2.gz GJNMNJANTZZTNY-JHJVBQTASA-N 1 0 238.375 1.975 10 0 BDAERO C[C@H](C[NH2+]CCC[N@@H+]1CCCC[C@H]1C)C(=O)[O-] ZINC000035757862 359314952 /nfs/dbraw/zinc/31/49/52/359314952.db2.gz SJOZVHGQGQRPRO-VXGBXAGGSA-N 1 0 242.363 1.561 10 0 BDAERO CC(C)([NH3+])[C@@H](O)Cc1cccc(Cl)c1 ZINC000306213747 359317231 /nfs/dbraw/zinc/31/72/31/359317231.db2.gz XORULOJZUGXNRL-JTQLQIEISA-N 1 0 213.708 1.981 10 0 BDAERO C[N@H+](C[C@H]1COC(C)(C)C1=O)C1CCC1 ZINC000306224971 359354832 /nfs/dbraw/zinc/35/48/32/359354832.db2.gz LGRXNNOKFLCWOY-VIFPVBQESA-N 1 0 211.305 1.465 10 0 BDAERO C[C@@H]1CSC[C@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000306229948 359364124 /nfs/dbraw/zinc/36/41/24/359364124.db2.gz KHFQOBTXQCZNFE-NXEZZACHSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@]1(O)CCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000306220143 359339334 /nfs/dbraw/zinc/33/93/34/359339334.db2.gz RHTSQUDAAXXDNE-GUBZILKMSA-N 1 0 201.335 1.385 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](CN2CCC(F)(F)C2)C1 ZINC000306220340 359339833 /nfs/dbraw/zinc/33/98/33/359339833.db2.gz HTUKXLQEYOWJFK-RKDXNWHRSA-N 1 0 204.264 1.455 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1OCc1csnn1 ZINC000306234844 359392808 /nfs/dbraw/zinc/39/28/08/359392808.db2.gz NIWZBUZUPWVHOT-DTWKUNHWSA-N 1 0 213.306 1.325 10 0 BDAERO C[C@H]([NH3+])c1noc([C@H]2CC2(Cl)Cl)n1 ZINC000306323204 359608185 /nfs/dbraw/zinc/60/81/85/359608185.db2.gz KDUGOQQPQYXJNP-IUYQGCFVSA-N 1 0 222.075 1.751 10 0 BDAERO CC[N@@H+]1CC[C@@]2(C1)N[C@@H](C)CCS2 ZINC000306329932 359611652 /nfs/dbraw/zinc/61/16/52/359611652.db2.gz AYWUUXGFUKAEJX-VHSXEESVSA-N 1 0 200.351 1.523 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000623764576 359621748 /nfs/dbraw/zinc/62/17/48/359621748.db2.gz GSLKMSHVVJRMIE-NWDGAFQWSA-N 1 0 225.263 1.065 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c(C)c1 ZINC000623764707 359627767 /nfs/dbraw/zinc/62/77/67/359627767.db2.gz JBBKEWZYBRJTLM-KGLIPLIRSA-N 1 0 235.327 1.543 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)NCCOC(F)(F)F ZINC000397068160 359643044 /nfs/dbraw/zinc/64/30/44/359643044.db2.gz BUPQDLCNPPZNEC-SSDOTTSWSA-N 1 0 242.241 1.012 10 0 BDAERO CN(C[C@@H]1CCCSC1)C1C[NH2+]C1 ZINC000306348950 359668978 /nfs/dbraw/zinc/66/89/78/359668978.db2.gz UCLZCFFZIVWYGV-VIFPVBQESA-N 1 0 200.351 1.033 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2cscn2)C1 ZINC000309051979 491143693 /nfs/dbraw/zinc/14/36/93/491143693.db2.gz RKUVCRWPYYMNKC-GXSJLCMTSA-N 1 0 225.361 1.573 10 0 BDAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12COC(=[NH2+])N2 ZINC000306377618 359718075 /nfs/dbraw/zinc/71/80/75/359718075.db2.gz OCRLIHCMWXDVFT-RISCZKNCSA-N 1 0 245.326 1.365 10 0 BDAERO Cn1ncc(Cl)c1[C@H](F)C(C)(C)[NH3+] ZINC000306425204 359868707 /nfs/dbraw/zinc/86/87/07/359868707.db2.gz NLVQWYSPHIEEKR-ZETCQYMHSA-N 1 0 205.664 1.821 10 0 BDAERO Cc1nnc(N2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000228351960 359858426 /nfs/dbraw/zinc/85/84/26/359858426.db2.gz KKFHSERDNURUJF-SVRRBLITSA-N 1 0 212.322 1.163 10 0 BDAERO Cc1nnc(N2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000228351973 359859492 /nfs/dbraw/zinc/85/94/92/359859492.db2.gz KKFHSERDNURUJF-HTRCEHHLSA-N 1 0 212.322 1.163 10 0 BDAERO C1C[C@H](NC2=[NH+]CCCS2)CS1 ZINC000231360075 359915927 /nfs/dbraw/zinc/91/59/27/359915927.db2.gz FJIGOVJHRBMKSJ-ZETCQYMHSA-N 1 0 202.348 1.574 10 0 BDAERO [NH3+]C[C@]1([C@@H]2CCC[C@@H]2O)CCCS1 ZINC000306436914 359945396 /nfs/dbraw/zinc/94/53/96/359945396.db2.gz HKKCFAZFGMHSGI-UTLUCORTSA-N 1 0 201.335 1.372 10 0 BDAERO CC(C)c1nnn2c1C[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000536960590 360014467 /nfs/dbraw/zinc/01/44/67/360014467.db2.gz RTVPXRXNVJCCNB-BDAKNGLRSA-N 1 0 206.293 1.078 10 0 BDAERO CCOC(=O)[C@H](CC)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089709886 360036202 /nfs/dbraw/zinc/03/62/02/360036202.db2.gz QPZWPKUGDSSWGQ-NEPJUHHUSA-N 1 0 240.347 1.108 10 0 BDAERO Cc1cc2c(cc1C)O[C@@](C)(C[NH3+])CO2 ZINC000536956583 360007618 /nfs/dbraw/zinc/00/76/18/360007618.db2.gz ZTEZHHROBWINRM-LBPRGKRZSA-N 1 0 207.273 1.792 10 0 BDAERO OC[C@H]1CCCC[N@@H+]1C[C@H]1Cc2ccccc2O1 ZINC000090876802 360092913 /nfs/dbraw/zinc/09/29/13/360092913.db2.gz STELOYKCMUCKQC-ZIAGYGMSSA-N 1 0 247.338 1.837 10 0 BDAERO COc1cc([C@@H]([NH3+])[C@@H]2CCOC2)sn1 ZINC000306464654 360077664 /nfs/dbraw/zinc/07/76/64/360077664.db2.gz AWGYVWXLPRPFNM-MUWHJKNJSA-N 1 0 214.290 1.188 10 0 BDAERO Cc1ccc(O)c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000091496257 360118101 /nfs/dbraw/zinc/11/81/01/360118101.db2.gz PBUSLWIKGHZSLH-PWSUYJOCSA-N 1 0 248.326 1.571 10 0 BDAERO C[N@@H+]1CC[C@@H](Oc2nc(Cl)cs2)C1 ZINC000306487213 360165807 /nfs/dbraw/zinc/16/58/07/360165807.db2.gz UAKQVQAZCBUHCQ-ZCFIWIBFSA-N 1 0 218.709 1.879 10 0 BDAERO C[C@@H]1C[C@H](c2c(Br)nnn2C)C[NH2+]1 ZINC000306488509 360186891 /nfs/dbraw/zinc/18/68/91/360186891.db2.gz VHEDURDSEUMTEQ-RITPCOANSA-N 1 0 245.124 1.043 10 0 BDAERO c1ncn(C2CC[NH+](CC3=CCCOC3)CC2)n1 ZINC000092648144 360187849 /nfs/dbraw/zinc/18/78/49/360187849.db2.gz CYHCFBOGPJVNTE-UHFFFAOYSA-N 1 0 248.330 1.262 10 0 BDAERO CC1(C)CN(CC2(F)CC2)CC[C@H]1[NH3+] ZINC000306496172 360222958 /nfs/dbraw/zinc/22/29/58/360222958.db2.gz CUNCZNCRCOPMKI-SECBINFHSA-N 1 0 200.301 1.548 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1scnc1C ZINC000306496985 360225325 /nfs/dbraw/zinc/22/53/25/360225325.db2.gz ZCFYXDSKZVPWBW-SSDOTTSWSA-N 1 0 213.306 1.517 10 0 BDAERO CC(C)[C@@H]1C[NH2+]CC[C@@H]1c1csnn1 ZINC000306504458 360302788 /nfs/dbraw/zinc/30/27/88/360302788.db2.gz ZDPSRTXIZLWOQY-IUCAKERBSA-N 1 0 211.334 1.887 10 0 BDAERO Cc1c(C[NH2+][C@@H]2CCN(C3CC3)C2)cnn1C ZINC000093650203 360267800 /nfs/dbraw/zinc/26/78/00/360267800.db2.gz KZZJBXZZHILDKT-GFCCVEGCSA-N 1 0 234.347 1.055 10 0 BDAERO CC[C@@H]1CN([C@@H]2CCSC2)CC[NH2+]1 ZINC000231423845 360336054 /nfs/dbraw/zinc/33/60/54/360336054.db2.gz DWCUJPTZGQXDAJ-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO CCc1nsc(N[C@@H]2C[N@H+](CC)C[C@H]2C)n1 ZINC000309448235 491148435 /nfs/dbraw/zinc/14/84/35/491148435.db2.gz KJQITCHIQYSLTB-RKDXNWHRSA-N 1 0 240.376 1.853 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309444605 491148313 /nfs/dbraw/zinc/14/83/13/491148313.db2.gz JJYZEGZGSJPKAU-FRRDWIJNSA-N 1 0 224.348 1.095 10 0 BDAERO C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000306523551 360360171 /nfs/dbraw/zinc/36/01/71/360360171.db2.gz SZEMLHZCGFITLF-VIFPVBQESA-N 1 0 216.325 1.899 10 0 BDAERO [NH3+]C[C@@]12CCC[C@H]1CN(C(=O)C(F)(F)F)C2 ZINC000306529358 360379149 /nfs/dbraw/zinc/37/91/49/360379149.db2.gz FVMNBSUCSFKYOS-IONNQARKSA-N 1 0 236.237 1.136 10 0 BDAERO C[C@@H](N1CC[NH2+]C[C@@H](C)C1)C(F)(F)F ZINC000306531433 360388326 /nfs/dbraw/zinc/38/83/26/360388326.db2.gz AKHKMBPMSOKNPA-HTQZYQBOSA-N 1 0 210.243 1.479 10 0 BDAERO CC[C@H]1SCCS[C@H]1C1=[NH+]CCN1 ZINC000306534726 360397016 /nfs/dbraw/zinc/39/70/16/360397016.db2.gz OUQKQFANSXLNEK-HTQZYQBOSA-N 1 0 216.375 1.615 10 0 BDAERO CS[C@@H](C)CNC1=[NH+]CC(C)(C)CN1 ZINC000306534975 360397563 /nfs/dbraw/zinc/39/75/63/360397563.db2.gz JJEMZJMQOSLALM-QMMMGPOBSA-N 1 0 215.366 1.313 10 0 BDAERO CN(CCOCc1ccccc1)C[C@@H]1CC[NH2+]1 ZINC000306522075 360355980 /nfs/dbraw/zinc/35/59/80/360355980.db2.gz OQPJNKQXRIEHBR-AWEZNQCLSA-N 1 0 234.343 1.497 10 0 BDAERO Cc1cc(C(=O)[C@H](C)[C@H](C)[NH3+])cnc1C ZINC000306563586 360442063 /nfs/dbraw/zinc/44/20/63/360442063.db2.gz VQKCKZVNXLEQFQ-BDAKNGLRSA-N 1 0 206.289 1.864 10 0 BDAERO C[C@@H]1C[C@H](N2C(=O)c3ccccc3C2=O)C[NH2+]1 ZINC000306565424 360446542 /nfs/dbraw/zinc/44/65/42/360446542.db2.gz FKISWIBUHKPVHB-BDAKNGLRSA-N 1 0 230.267 1.033 10 0 BDAERO Cc1ncc([C@@H]([NH3+])Cc2csnn2)s1 ZINC000306537357 360402958 /nfs/dbraw/zinc/40/29/58/360402958.db2.gz IINWYJADPALBCO-ZETCQYMHSA-N 1 0 226.330 1.546 10 0 BDAERO O=[S@@](CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000306540008 360405357 /nfs/dbraw/zinc/40/53/57/360405357.db2.gz VPZLOKMFKCGOTE-GWCFXTLKSA-N 1 0 201.335 1.287 10 0 BDAERO C[C@@H]1CSCCN1C[C@@H]1CCC[NH2+]1 ZINC000069760978 360409223 /nfs/dbraw/zinc/40/92/23/360409223.db2.gz RUYPIHXIHKVZLY-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@H]1CSCC[N@@H+]1C[C@@H]1CCCC1=O ZINC000069761517 360420951 /nfs/dbraw/zinc/42/09/51/360420951.db2.gz AVYZSPUINGBXOR-UWVGGRQHSA-N 1 0 213.346 1.793 10 0 BDAERO CC(C)NC(=[NH2+])N[C@@H]1CSC[C@@H]1C ZINC000306575902 360465140 /nfs/dbraw/zinc/46/51/40/360465140.db2.gz KADBFQWHWSTRTB-JGVFFNPUSA-N 1 0 201.339 1.260 10 0 BDAERO C[C@@H]1CCN[C@](C)([C@H]2CC[NH2+]C2)S1 ZINC000306578122 360467816 /nfs/dbraw/zinc/46/78/16/360467816.db2.gz LVYDCKGVRZJPIS-UTLUCORTSA-N 1 0 200.351 1.427 10 0 BDAERO CC[C@H]1CN(C(=O)C=C(C)C)CC[N@@H+]1C ZINC000300828874 360524413 /nfs/dbraw/zinc/52/44/13/360524413.db2.gz OFXKJBHILDHUFO-NSHDSACASA-N 1 0 210.321 1.505 10 0 BDAERO O=C1C[C@H]([NH2+]Cc2ccccc2)[C@H]2CCCN12 ZINC000169380720 360535318 /nfs/dbraw/zinc/53/53/18/360535318.db2.gz MUIWEAMCTVZOIS-QWHCGFSZSA-N 1 0 230.311 1.540 10 0 BDAERO 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UQQXPOMLAGPEND-UHFFFAOYSA-N 1 0 246.358 1.836 10 0 BDAERO CCc1csc(NCC2([NH3+])CCOCC2)n1 ZINC000630524084 364209443 /nfs/dbraw/zinc/20/94/43/364209443.db2.gz HEXMZBZVDHRNIU-UHFFFAOYSA-N 1 0 241.360 1.047 10 0 BDAERO [NH3+]CC1(C(=O)Nc2nccs2)CCC1 ZINC000082641672 181359201 /nfs/dbraw/zinc/35/92/01/181359201.db2.gz UNJDEZZQUKWGGN-UHFFFAOYSA-N 1 0 211.290 1.211 10 0 BDAERO C[C@@H]1CC[C@H](N=c2[nH]c3ccccc3o2)C[NH2+]1 ZINC000630533027 364223374 /nfs/dbraw/zinc/22/33/74/364223374.db2.gz MRXQAMOJPVJVLX-ZJUUUORDSA-N 1 0 231.299 1.802 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nccn2nc(C)cc12 ZINC000630526520 364213604 /nfs/dbraw/zinc/21/36/04/364213604.db2.gz XHPXEBAHGYYESF-WDEREUQCSA-N 1 0 245.330 1.012 10 0 BDAERO Cc1nnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)nc1C ZINC000630533033 364222974 /nfs/dbraw/zinc/22/29/74/364222974.db2.gz MVEYGZGIUKKZNV-GMSGAONNSA-N 1 0 221.308 1.041 10 0 BDAERO C[C@@H]1CC[C@H](Nc2nc3ccccc3n2C)C[NH2+]1 ZINC000630533044 364223246 /nfs/dbraw/zinc/22/32/46/364223246.db2.gz NBPUYLFJHLTTFP-MNOVXSKESA-N 1 0 244.342 1.548 10 0 BDAERO CCc1csc(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000630543606 364238947 /nfs/dbraw/zinc/23/89/47/364238947.db2.gz CTPVUYRITZZLTF-IONNQARKSA-N 1 0 211.334 1.868 10 0 BDAERO C[C@@H]1CN(c2nc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000630576801 364274861 /nfs/dbraw/zinc/27/48/61/364274861.db2.gz ZSNRVVDYJMDFDU-ZJUUUORDSA-N 1 0 231.299 1.859 10 0 BDAERO Cc1cc2c(N3C[C@@H](C)[C@@H](C[NH3+])C3)nccn2n1 ZINC000630552635 364246647 /nfs/dbraw/zinc/24/66/47/364246647.db2.gz FQARTIUDUVJHAT-KOLCDFICSA-N 1 0 245.330 1.069 10 0 BDAERO CCCc1nsc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630553444 364248124 /nfs/dbraw/zinc/24/81/24/364248124.db2.gz JREPRSYEGOWCIY-RKDXNWHRSA-N 1 0 240.376 1.522 10 0 BDAERO C[C@@H]1CN(c2ncnc3c2CCCC3)C[C@@H]1C[NH3+] ZINC000630553817 364248788 /nfs/dbraw/zinc/24/87/88/364248788.db2.gz LRMMIWFQPHJHEY-MNOVXSKESA-N 1 0 246.358 1.386 10 0 BDAERO Cc1cnc(N2C[C@H](C)[C@@H](C[NH3+])C2)nc1C ZINC000630554127 364248978 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CC[C@@H]([NH3+])CNc1ncnc2ccccc21 ZINC000082579450 368694728 /nfs/dbraw/zinc/69/47/28/368694728.db2.gz NWXFYUVWQGQNGA-SECBINFHSA-N 1 0 216.288 1.779 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)S1 ZINC000085013573 368862197 /nfs/dbraw/zinc/86/21/97/368862197.db2.gz CXDNYJFXMSCDSR-DBIOUOCHSA-N 1 0 242.388 1.466 10 0 BDAERO CNC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000003622340 368875554 /nfs/dbraw/zinc/87/55/54/368875554.db2.gz VNYRHUUXBBPRLZ-GFCCVEGCSA-N 1 0 233.315 1.537 10 0 BDAERO CC[C@H]1C=C(c2nc(C3CC3)no2)C[NH2+]C1 ZINC000003796367 368882705 /nfs/dbraw/zinc/88/27/05/368882705.db2.gz XUKQJKVRQWIFNS-QMMMGPOBSA-N 1 0 219.288 1.960 10 0 BDAERO COC[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000086698920 368884128 /nfs/dbraw/zinc/88/41/28/368884128.db2.gz MCAMQIVEUFDELK-RYUDHWBXSA-N 1 0 242.363 1.163 10 0 BDAERO [NH2+]=C(NO)c1ccc2oc(CO)cc2c1 ZINC000113259930 368887765 /nfs/dbraw/zinc/88/77/65/368887765.db2.gz UFTNBCDHSPVLLZ-UHFFFAOYSA-N 1 0 206.201 1.229 10 0 BDAERO 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O[C@H]1COCC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000623766702 369029980 /nfs/dbraw/zinc/02/99/80/369029980.db2.gz KYDKHPXJOIJLBO-KGLIPLIRSA-N 1 0 246.310 1.407 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCOC[C@H]2O)CS1 ZINC000623766805 369030987 /nfs/dbraw/zinc/03/09/87/369030987.db2.gz MOKBYVNNJYNJHJ-VPOLOUISSA-N 1 0 231.361 1.010 10 0 BDAERO CCN(CC)C(=O)O[C@H]1CCC[C@@H]1[NH3+] ZINC000131767716 259535924 /nfs/dbraw/zinc/53/59/24/259535924.db2.gz GRFMHQRMVILPNR-IUCAKERBSA-N 1 0 200.282 1.345 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1OC(=O)N1CCCC1 ZINC000131800490 259536087 /nfs/dbraw/zinc/53/60/87/259536087.db2.gz WWNWEVOEEZRXDA-ZJUUUORDSA-N 1 0 212.293 1.489 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cnco1 ZINC000616690975 369113673 /nfs/dbraw/zinc/11/36/73/369113673.db2.gz AJVVBIIGXIUKRB-CQSZACIVSA-N 1 0 243.310 1.581 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H](C(=O)NC2CCCC2)C1 ZINC000055144995 181461827 /nfs/dbraw/zinc/46/18/27/181461827.db2.gz SFOUUSBNWFXUKP-QWRGUYRKSA-N 1 0 224.348 1.810 10 0 BDAERO CC[C@H](c1ccc(C)o1)N1CC[NH2+]CC1 ZINC000106890604 369215682 /nfs/dbraw/zinc/21/56/82/369215682.db2.gz COEBJUUSQHAZBD-LLVKDONJSA-N 1 0 208.305 1.944 10 0 BDAERO C[NH2+]C[C@@H](O)c1cccc(O)c1Cl ZINC000106880000 369210291 /nfs/dbraw/zinc/21/02/91/369210291.db2.gz PJRUMEPABBPKDG-MRVPVSSYSA-N 1 0 201.653 1.298 10 0 BDAERO C(C1CCCCC1)[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404214750 369424125 /nfs/dbraw/zinc/42/41/25/369424125.db2.gz XUZGVUZRPKDJAJ-UONOGXRCSA-N 1 0 238.375 1.629 10 0 BDAERO [NH3+]Cc1ccc(F)c(Cn2ccccc2=O)c1 ZINC000019277629 181483137 /nfs/dbraw/zinc/48/31/37/181483137.db2.gz QKOUWIRENNDJJM-UHFFFAOYSA-N 1 0 232.258 1.494 10 0 BDAERO [NH3+]Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000074171915 181491489 /nfs/dbraw/zinc/49/14/89/181491489.db2.gz BEVMPMVAHSFHDO-UHFFFAOYSA-N 1 0 209.199 1.814 10 0 BDAERO C[C@@H]1CN(C(=O)NC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631001766 369689838 /nfs/dbraw/zinc/68/98/38/369689838.db2.gz SJYCJENHFFKSRI-MNOVXSKESA-N 1 0 239.363 1.555 10 0 BDAERO CCC[NH+]1CCN(c2ccc(N)c(OC)c2)CC1 ZINC000111045745 370053468 /nfs/dbraw/zinc/05/34/68/370053468.db2.gz ONODIBIXSFKWIU-UHFFFAOYSA-N 1 0 249.358 1.809 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000309605035 370234762 /nfs/dbraw/zinc/23/47/62/370234762.db2.gz XOZQAWVUFAXFCX-GNRIBBGQSA-N 1 0 217.312 1.903 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000310261866 370330602 /nfs/dbraw/zinc/33/06/02/370330602.db2.gz DBTIUCQNRBNXOP-VQXHTEKXSA-N 1 0 242.363 1.027 10 0 BDAERO C[C@]1(C(=O)NCC[C@H]2CC2(F)F)CCCC[NH2+]1 ZINC000621670968 370421726 /nfs/dbraw/zinc/42/17/26/370421726.db2.gz DSPVGSUHDDBHNN-GXSJLCMTSA-N 1 0 246.301 1.680 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC[C@@H]2CC2(F)F)C1 ZINC000621671611 370419292 /nfs/dbraw/zinc/41/92/92/370419292.db2.gz YTPFUNAZBCIMPE-IWSPIJDZSA-N 1 0 232.274 1.275 10 0 BDAERO CC(C)(C)Nc1nc2c(s1)C[NH2+]CC2 ZINC000113592574 370439118 /nfs/dbraw/zinc/43/91/18/370439118.db2.gz PCEKJDALKMRJMM-UHFFFAOYSA-N 1 0 211.334 1.999 10 0 BDAERO Cc1nccnc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000621731614 370485476 /nfs/dbraw/zinc/48/54/76/370485476.db2.gz VGLVUQUGXUMOGB-GXSJLCMTSA-N 1 0 221.304 1.130 10 0 BDAERO CC[C@@H]([NH3+])C(=O)[C@@H]1CCc2cccnc21 ZINC000226539905 370624127 /nfs/dbraw/zinc/62/41/27/370624127.db2.gz DQDMQEQXDQLAPZ-NXEZZACHSA-N 1 0 204.273 1.418 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000623764398 371086018 /nfs/dbraw/zinc/08/60/18/371086018.db2.gz DMVHYVJWPTYSAG-GJZGRUSLSA-N 1 0 247.338 1.803 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000623764397 371086386 /nfs/dbraw/zinc/08/63/86/371086386.db2.gz DMVHYVJWPTYSAG-CABCVRRESA-N 1 0 247.338 1.803 10 0 BDAERO [NH3+][C@@H](CCO)c1cccc2c1OC(F)(F)O2 ZINC000044233382 181545274 /nfs/dbraw/zinc/54/52/74/181545274.db2.gz UOSMNBYRHURLON-ZETCQYMHSA-N 1 0 231.198 1.390 10 0 BDAERO COC[C@H](C)[NH2+]CCC(=O)N1CCC[C@H]1C ZINC000390586105 371217066 /nfs/dbraw/zinc/21/70/66/371217066.db2.gz YFDMWJJXBNHKRT-WDEREUQCSA-N 1 0 228.336 1.012 10 0 BDAERO CCCC[N@H+](CC)CC[C@@H](NC)C(=O)OCC ZINC000062438221 168800277 /nfs/dbraw/zinc/80/02/77/168800277.db2.gz VAJGNJTZROMTKM-GFCCVEGCSA-N 1 0 244.379 1.650 10 0 BDAERO [NH3+][C@@H]1CCCS(=O)(=O)c2c(F)cc(F)cc21 ZINC000036962291 181579584 /nfs/dbraw/zinc/57/95/84/181579584.db2.gz WQZLACDZKRWYDL-SECBINFHSA-N 1 0 247.266 1.532 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](c2nc([C@H]3CCOC3)no2)C1 ZINC000250642765 181580397 /nfs/dbraw/zinc/58/03/97/181580397.db2.gz HZSSAADGWDHCSI-KXUCPTDWSA-N 1 0 237.303 1.558 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(F)cc1 ZINC000063173017 181582801 /nfs/dbraw/zinc/58/28/01/181582801.db2.gz XWGCBHQWWXZRMY-NEPJUHHUSA-N 1 0 236.290 1.364 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](CC(=O)N2CCCCC2)C1 ZINC000055124051 181583919 /nfs/dbraw/zinc/58/39/19/181583919.db2.gz LREHLXPDVZKMNP-NWDGAFQWSA-N 1 0 224.348 1.907 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000250862067 181584442 /nfs/dbraw/zinc/58/44/42/181584442.db2.gz TXVAXTVDNUHMOD-JLLWLGSASA-N 1 0 246.310 1.364 10 0 BDAERO [NH3+][C@@H]1CCOC[C@@H]1Cc1ccccc1F ZINC000076642404 181590480 /nfs/dbraw/zinc/59/04/80/181590480.db2.gz MQBKQLVAAKXZKM-CMPLNLGQSA-N 1 0 209.264 1.732 10 0 BDAERO [NH3+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000261734303 181595953 /nfs/dbraw/zinc/59/59/53/181595953.db2.gz MCSNMEVYCLODDS-WDEREUQCSA-N 1 0 244.260 1.975 10 0 BDAERO [NH3+][C@H](CCO)c1ccc2c(c1)OC(F)(F)O2 ZINC000044233385 181616429 /nfs/dbraw/zinc/61/64/29/181616429.db2.gz DPIBOFACTHMZLU-SSDOTTSWSA-N 1 0 231.198 1.390 10 0 BDAERO [NH3+][C@H](CNCc1cscn1)Cc1ccccc1 ZINC000104443786 181617925 /nfs/dbraw/zinc/61/79/25/181617925.db2.gz PHOKDAFRJKMYNH-LBPRGKRZSA-N 1 0 247.367 1.803 10 0 BDAERO [NH3+][C@H](Cc1ccccc1)C[C@@H]1CCOC1 ZINC000054685417 181626328 /nfs/dbraw/zinc/62/63/28/181626328.db2.gz KOQPPRLRPXYNQN-QWHCGFSZSA-N 1 0 205.301 1.983 10 0 BDAERO [NH3+][C@H]1CCc2ncnc(C(F)(F)F)c2C1 ZINC000020445751 181655311 /nfs/dbraw/zinc/65/53/11/181655311.db2.gz HBQKAXDOLAIMBS-YFKPBYRVSA-N 1 0 217.194 1.311 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccccc1F ZINC000038048844 181642344 /nfs/dbraw/zinc/64/23/44/181642344.db2.gz MSEQHKIXHHEMQP-NWDGAFQWSA-N 1 0 236.290 1.825 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)CC(C)(C)C1 ZINC000624235329 371422899 /nfs/dbraw/zinc/42/28/99/371422899.db2.gz IQDZEMCGCIXJOR-MROQNXINSA-N 1 0 241.375 1.941 10 0 BDAERO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCOC[C@H]1O ZINC000624235852 371423808 /nfs/dbraw/zinc/42/38/08/371423808.db2.gz QTMPXLMYSKVSGT-VHDGCEQUSA-N 1 0 249.354 1.747 10 0 BDAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624238606 371427445 /nfs/dbraw/zinc/42/74/45/371427445.db2.gz UVMSUTJMLPRRDU-UTUOFQBUSA-N 1 0 229.364 1.941 10 0 BDAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000624239077 371428868 /nfs/dbraw/zinc/42/88/68/371428868.db2.gz CMRYVXPEYXLUMU-SJHCENCUSA-N 1 0 227.348 1.551 10 0 BDAERO [NH3+][C@@H]1CCN(C2CC2)[C@H]1c1nccs1 ZINC000161714218 371557529 /nfs/dbraw/zinc/55/75/29/371557529.db2.gz YWWKWNWVSYOBHC-RKDXNWHRSA-N 1 0 209.318 1.380 10 0 BDAERO O[C@]1(C(F)(F)Br)CCC[NH2+]C1 ZINC000225640281 371562019 /nfs/dbraw/zinc/56/20/19/371562019.db2.gz IJQQSWTYWXHDNP-RXMQYKEDSA-N 1 0 230.052 1.089 10 0 BDAERO CC[C@](O)(C[NH3+])C(F)(F)Br ZINC000225661582 371564252 /nfs/dbraw/zinc/56/42/52/371564252.db2.gz LNYAEEQWHKZKAE-BYPYZUCNSA-N 1 0 218.041 1.074 10 0 BDAERO O[C@H]([C@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225669103 371565223 /nfs/dbraw/zinc/56/52/23/371565223.db2.gz SBSPOVWJAMOWOZ-PHDIDXHHSA-N 1 0 244.079 1.477 10 0 BDAERO C[C@](F)(C[NH3+])C(F)(F)Br ZINC000225684263 371565592 /nfs/dbraw/zinc/56/55/92/371565592.db2.gz HGLDFJAVWFOYIN-VKHMYHEASA-N 1 0 206.005 1.661 10 0 BDAERO NC(=[NH2+])SCc1cncc(Br)c1 ZINC000161826715 371568573 /nfs/dbraw/zinc/56/85/73/371568573.db2.gz ILYOTCBZAJPPFD-UHFFFAOYSA-N 1 0 246.133 1.971 10 0 BDAERO Brc1cncc(CC2C[NH2+]C2)c1 ZINC000161893307 371578699 /nfs/dbraw/zinc/57/86/99/371578699.db2.gz RHPBZZLJJODPTO-UHFFFAOYSA-N 1 0 227.105 1.606 10 0 BDAERO COc1ccnc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000165729698 326425931 /nfs/dbraw/zinc/42/59/31/326425931.db2.gz PWISSTVKKUNCQJ-YUMQZZPRSA-N 1 0 210.281 1.023 10 0 BDAERO c1ncc(CN[C@H]2CCC[NH2+]CC2)s1 ZINC000131440320 371604814 /nfs/dbraw/zinc/60/48/14/371604814.db2.gz YXBIIYRKZZRCKJ-VIFPVBQESA-N 1 0 211.334 1.375 10 0 BDAERO CN(C)C(=O)O[C@H]1CCCCC[C@@H]1[NH3+] ZINC000131752542 371666435 /nfs/dbraw/zinc/66/64/35/371666435.db2.gz VTCDIFWFCFEEFM-IUCAKERBSA-N 1 0 200.282 1.345 10 0 BDAERO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CC(=O)N1 ZINC000215998811 371672698 /nfs/dbraw/zinc/67/26/98/371672698.db2.gz WRBOZTYRDIKBAB-CMPLNLGQSA-N 1 0 218.300 1.443 10 0 BDAERO CC[C@H]1C[NH+]=C(N[C@@H]2CCCOC2)S1 ZINC000230007346 371633137 /nfs/dbraw/zinc/63/31/37/371633137.db2.gz YKPRPZTYXWXGSK-BDAKNGLRSA-N 1 0 214.334 1.636 10 0 BDAERO [NH3+][C@H]1CN(c2cc(F)cc(Cl)c2)C1=O ZINC000230065395 371644442 /nfs/dbraw/zinc/64/44/42/371644442.db2.gz AIGLQBSFBOSCJD-QMMMGPOBSA-N 1 0 214.627 1.153 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Cc1ccccc1 ZINC000226372659 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O=[S@](c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000034103764 182966933 /nfs/dbraw/zinc/96/69/33/182966933.db2.gz QJYGKJCHJWBTDX-YGRLFVJLSA-N 1 0 229.732 1.810 10 0 BDAERO O=c1ccccn1CC[NH2+]Cc1ccccn1 ZINC000049948386 183002930 /nfs/dbraw/zinc/00/29/30/183002930.db2.gz UQGBYGDLQRBHRN-UHFFFAOYSA-N 1 0 229.283 1.033 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)C(C)C)C1 ZINC000179027124 134314583 /nfs/dbraw/zinc/31/45/83/134314583.db2.gz YLXMIQJFOXPAAW-RYUDHWBXSA-N 1 0 226.364 1.737 10 0 BDAERO OC1(Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000041246453 183022052 /nfs/dbraw/zinc/02/20/52/183022052.db2.gz PKPWMGLMTRZDRJ-UHFFFAOYSA-N 1 0 225.719 1.997 10 0 BDAERO OC1(c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000055242621 183023268 /nfs/dbraw/zinc/02/32/68/183023268.db2.gz KYDFNZYRUURDMC-UHFFFAOYSA-N 1 0 213.227 1.536 10 0 BDAERO OCCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195442271 183053993 /nfs/dbraw/zinc/05/39/93/183053993.db2.gz LKTJHRMKCOIJRM-SNVBAGLBSA-N 1 0 226.345 1.705 10 0 BDAERO OCCC[NH2+]Cc1c[nH]c2ccccc12 ZINC000048408684 183059058 /nfs/dbraw/zinc/05/90/58/183059058.db2.gz KLYLZKMUAOZKGJ-UHFFFAOYSA-N 1 0 204.273 1.640 10 0 BDAERO OCC[NH2+]Cc1nc2ccccc2s1 ZINC000037977642 183078776 /nfs/dbraw/zinc/07/87/76/183078776.db2.gz PMUGPJHBDHSWPK-UHFFFAOYSA-N 1 0 208.286 1.378 10 0 BDAERO OCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000020596952 183079097 /nfs/dbraw/zinc/07/90/97/183079097.db2.gz JIKIKJAWBWYQJR-ZDUSSCGKSA-N 1 0 217.268 1.951 10 0 BDAERO OCC[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044746998 183079805 /nfs/dbraw/zinc/07/98/05/183079805.db2.gz XBSBVSSQWNMRSU-GFCCVEGCSA-N 1 0 207.273 1.352 10 0 BDAERO OCC[C@H]([NH2+]C1CC1)[C@H]1COc2ccccc2O1 ZINC000095078817 183096688 /nfs/dbraw/zinc/09/66/88/183096688.db2.gz OIFBWWUVOAYMDZ-SMDDNHRTSA-N 1 0 249.310 1.329 10 0 BDAERO OCC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000100282978 183096763 /nfs/dbraw/zinc/09/67/63/183096763.db2.gz ZHYWWSMQDHZFJQ-CABCVRRESA-N 1 0 249.354 1.784 10 0 BDAERO CCCC[C@H](COC)[NH2+][C@@H]1CCCNC1=O ZINC000309690273 169005003 /nfs/dbraw/zinc/00/50/03/169005003.db2.gz JAIJVASECJHGHT-GHMZBOCLSA-N 1 0 228.336 1.060 10 0 BDAERO OC[C@@H](Cc1ccccc1)[NH2+]CCn1cccn1 ZINC000063219216 183105972 /nfs/dbraw/zinc/10/59/72/183105972.db2.gz KFVQUGRIODBVBJ-CQSZACIVSA-N 1 0 245.326 1.076 10 0 BDAERO OC[C@H]([NH2+]C1CC1)c1cc(F)ccc1F ZINC000038124372 183138324 /nfs/dbraw/zinc/13/83/24/183138324.db2.gz XDBMFPPYRZUZRX-NSHDSACASA-N 1 0 213.227 1.750 10 0 BDAERO OC[C@H]([NH2+]C1CCCC1)c1cccc(O)c1 ZINC000038122954 183139356 /nfs/dbraw/zinc/13/93/56/183139356.db2.gz KEBCVSRWIDOARE-ZDUSSCGKSA-N 1 0 221.300 1.958 10 0 BDAERO OC[C@H]1CCC[N@H+](C[C@@H]2CCCCC[C@@H]2O)C1 ZINC000053881456 183149067 /nfs/dbraw/zinc/14/90/67/183149067.db2.gz AADOSHAIEBSYHB-IHRRRGAJSA-N 1 0 241.375 1.632 10 0 BDAERO OC[C@H]1CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000095423272 183152624 /nfs/dbraw/zinc/15/26/24/183152624.db2.gz NRMGJPSWNOVQKM-HIFRSBDPSA-N 1 0 231.339 1.904 10 0 BDAERO O[C@@H](C[NH2+]C[C@@H]1CCCOC1)c1cccs1 ZINC000038045491 183178998 /nfs/dbraw/zinc/17/89/98/183178998.db2.gz WULVUKNIVXHEQR-QWRGUYRKSA-N 1 0 241.356 1.798 10 0 BDAERO CCCN(C(=O)c1cccc(O)c1)[C@H]1CC[NH2+]C1 ZINC000037540140 169047995 /nfs/dbraw/zinc/04/79/95/169047995.db2.gz URTAZSACKKIQEU-LBPRGKRZSA-N 1 0 248.326 1.606 10 0 BDAERO OCc1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000051890697 183166365 /nfs/dbraw/zinc/16/63/65/183166365.db2.gz XTZARTTZFNLUMD-NSHDSACASA-N 1 0 207.273 1.167 10 0 BDAERO CCCN(C)C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055126454 169052941 /nfs/dbraw/zinc/05/29/41/169052941.db2.gz QILZCLIGDRKYJN-GHMZBOCLSA-N 1 0 212.337 1.762 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@H]1Cc1c(F)cccc1Cl ZINC000071558153 183200262 /nfs/dbraw/zinc/20/02/62/183200262.db2.gz KAKBDWRMNZICBS-PRHODGIISA-N 1 0 243.709 1.992 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@@H]1Cc1cccc(Cl)c1 ZINC000071532586 183201058 /nfs/dbraw/zinc/20/10/58/183201058.db2.gz ZZKLJYLFAGJFJF-CMPLNLGQSA-N 1 0 225.719 1.853 10 0 BDAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000049575085 183188490 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/nfs/dbraw/zinc/22/77/24/183227724.db2.gz JNHOFNXVWNHXQM-CHWSQXEVSA-N 1 0 205.301 1.590 10 0 BDAERO CCCN(CC(=O)OC(C)C)[C@H]1CCC[NH2+]C1 ZINC000104341068 169100899 /nfs/dbraw/zinc/10/08/99/169100899.db2.gz JWLYTFYJOYXPDK-LBPRGKRZSA-N 1 0 242.363 1.402 10 0 BDAERO O[C@H](c1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]1 ZINC000036159553 183229271 /nfs/dbraw/zinc/22/92/71/183229271.db2.gz MDSDHGXQZKSJTA-UONOGXRCSA-N 1 0 217.312 1.961 10 0 BDAERO O[C@H](c1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000036906328 183229779 /nfs/dbraw/zinc/22/97/79/183229779.db2.gz HTBLWKRTXHLAEJ-UFBFGSQYSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000037871592 183238114 /nfs/dbraw/zinc/23/81/14/183238114.db2.gz MXOZNAKGSNANNT-NEPJUHHUSA-N 1 0 206.289 1.127 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1Cc1cccc(Cl)c1 ZINC000071532583 183240941 /nfs/dbraw/zinc/24/09/41/183240941.db2.gz ZZKLJYLFAGJFJF-PWSUYJOCSA-N 1 0 225.719 1.853 10 0 BDAERO O[C@H]1C[NH2+]C[C@@H]1Oc1ccc2ccccc2c1 ZINC000104230976 183245531 /nfs/dbraw/zinc/24/55/31/183245531.db2.gz KDSJFAXCOUQIDW-KBPBESRZSA-N 1 0 229.279 1.551 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccn1 ZINC000077204541 183232643 /nfs/dbraw/zinc/23/26/43/183232643.db2.gz GPHFTTYXRJIZNC-AAEUAGOBSA-N 1 0 220.316 1.722 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000054788460 183233892 /nfs/dbraw/zinc/23/38/92/183233892.db2.gz ZDMBUZXOOVZTCS-ZJUUUORDSA-N 1 0 212.318 1.536 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000040505145 183235405 /nfs/dbraw/zinc/23/54/05/183235405.db2.gz ZHBSPODMTZYOTL-SCZZXKLOSA-N 1 0 212.318 1.536 10 0 BDAERO O[C@H]1CCC[C@H]1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942170 183237082 /nfs/dbraw/zinc/23/70/82/183237082.db2.gz QUICEFGTZGPJLX-MJBXVCDLSA-N 1 0 238.375 1.318 10 0 BDAERO Oc1ccc(CC[NH2+]CC2CCOCC2)cc1 ZINC000052178622 183269804 /nfs/dbraw/zinc/26/98/04/183269804.db2.gz ABYABNVHINEJKB-UHFFFAOYSA-N 1 0 235.327 1.951 10 0 BDAERO O=c1cc(C(F)(F)F)nc([C@@H]2CCC[NH2+]2)[nH]1 ZINC000070947379 183257527 /nfs/dbraw/zinc/25/75/27/183257527.db2.gz WVTAKJCJDYKEAS-YFKPBYRVSA-N 1 0 233.193 1.626 10 0 BDAERO O=c1ccnc(SC[C@H]2CCC[NH2+]2)[nH]1 ZINC000043497289 183305654 /nfs/dbraw/zinc/30/56/54/183305654.db2.gz BZNIOLIONIAWNR-SSDOTTSWSA-N 1 0 211.290 1.026 10 0 BDAERO Oc1ccc2c(c1)[C@H]1OCC[NH2+][C@H]1CC2 ZINC000033499758 183282565 /nfs/dbraw/zinc/28/25/65/183282565.db2.gz RCTXZLWJOZFFFZ-NWDGAFQWSA-N 1 0 205.257 1.368 10 0 BDAERO CCC[N@H+](CC[C@@H]([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000062446726 169170789 /nfs/dbraw/zinc/17/07/89/169170789.db2.gz NVNWDYBPFTZAPW-GFCCVEGCSA-N 1 0 244.379 1.948 10 0 BDAERO CCC[NH+]1CCC([NH2+]CC(C)C)(C(=O)[O-])CC1 ZINC000037965279 169188728 /nfs/dbraw/zinc/18/87/28/169188728.db2.gz TXELCVASWCQDDM-UHFFFAOYSA-N 1 0 242.363 1.561 10 0 BDAERO CCC[NH+]1CCN(C(=O)c2ccc(N)cc2)CC1 ZINC000003620415 169201055 /nfs/dbraw/zinc/20/10/55/169201055.db2.gz GJQWVQSWBZFULS-UHFFFAOYSA-N 1 0 247.342 1.437 10 0 BDAERO CCC[NH+]1CCN(C(=O)c2cccc(N)c2)CC1 ZINC000022161998 169202219 /nfs/dbraw/zinc/20/22/19/169202219.db2.gz KWJJIDATIMOZNM-UHFFFAOYSA-N 1 0 247.342 1.437 10 0 BDAERO CCCN(Cc1ccccc1OC)C(=O)C[NH3+] ZINC000032090024 169179278 /nfs/dbraw/zinc/17/92/78/169179278.db2.gz UGERWVUNTDTBGT-UHFFFAOYSA-N 1 0 236.315 1.393 10 0 BDAERO CCCNC(=O)CN1Cc2ccccc2C1=[NH2+] ZINC000036781145 169223645 /nfs/dbraw/zinc/22/36/45/169223645.db2.gz SPMWGNMRKUTPNS-UHFFFAOYSA-N 1 0 231.299 1.354 10 0 BDAERO c1cc(CCNC2=[NH+]CCS2)ccn1 ZINC000048262843 183338260 /nfs/dbraw/zinc/33/82/60/183338260.db2.gz HCFTXMREJXKPRX-UHFFFAOYSA-N 1 0 207.302 1.317 10 0 BDAERO c1cc(CN2CCC[NH2+]CCC2)ccn1 ZINC000049666628 183343232 /nfs/dbraw/zinc/34/32/32/183343232.db2.gz NZSCNRINYAZQCU-UHFFFAOYSA-N 1 0 205.305 1.267 10 0 BDAERO CCCNC(=O)C[N@H+](C)Cc1cccc(N)c1C ZINC000042517292 169219359 /nfs/dbraw/zinc/21/93/59/169219359.db2.gz CBZLVHFIWAHBLT-UHFFFAOYSA-N 1 0 249.358 1.535 10 0 BDAERO c1cc2nc(C[C@@H]3CCC[NH2+]3)nc-2c[nH]1 ZINC000070801497 183364256 /nfs/dbraw/zinc/36/42/56/183364256.db2.gz DPCLOGGCGGPKRN-QMMMGPOBSA-N 1 0 202.261 1.252 10 0 BDAERO CCC[NH2+]CC1(O)CCN(C(=O)CCC)CC1 ZINC000032100657 169257622 /nfs/dbraw/zinc/25/76/22/169257622.db2.gz OBJLTOMKIPFMCW-UHFFFAOYSA-N 1 0 242.363 1.140 10 0 BDAERO c1cc(CNC[C@@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000041262964 183368529 /nfs/dbraw/zinc/36/85/29/183368529.db2.gz UPVKYKOQQRLVKQ-NSHDSACASA-N 1 0 234.299 1.257 10 0 BDAERO CCC[NH2+]CCOc1ccc2c(c1)OCO2 ZINC000020525450 169260387 /nfs/dbraw/zinc/26/03/87/169260387.db2.gz SJKAGCTUTLLHFM-UHFFFAOYSA-N 1 0 223.272 1.794 10 0 BDAERO CCC[NH2+]CCOc1nnnn1-c1ccccc1 ZINC000051869461 169260479 /nfs/dbraw/zinc/26/04/79/169260479.db2.gz BXHRFNIWSODIJT-UHFFFAOYSA-N 1 0 247.302 1.041 10 0 BDAERO c1cc2c(cc1C[C@H]1CC[NH2+]C1)OCCO2 ZINC000070627875 183369572 /nfs/dbraw/zinc/36/95/72/183369572.db2.gz RAXLUFFYSJTLKJ-LLVKDONJSA-N 1 0 219.284 1.610 10 0 BDAERO CCC[NH2+]CCn1ncc(=O)c2ccccc21 ZINC000042410429 169261442 /nfs/dbraw/zinc/26/14/42/169261442.db2.gz WJPXTKSJLRSZFZ-UHFFFAOYSA-N 1 0 231.299 1.396 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1ccc(OC)cc1OC ZINC000033468574 169262016 /nfs/dbraw/zinc/26/20/16/169262016.db2.gz JDIZUPAJIBBXDD-GFCCVEGCSA-N 1 0 239.315 1.737 10 0 BDAERO c1cc2c(cc1[C@@H]1C[NH2+]CCO1)OCCO2 ZINC000011803067 183371014 /nfs/dbraw/zinc/37/10/14/183371014.db2.gz VVEHUQNCTMWKOU-LBPRGKRZSA-N 1 0 221.256 1.119 10 0 BDAERO c1cc2c(cc1[C@H]1CSCC[NH2+]1)OCCO2 ZINC000041278838 183371548 /nfs/dbraw/zinc/37/15/48/183371548.db2.gz GCDHAXKCQOSVSX-SNVBAGLBSA-N 1 0 237.324 1.835 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccc(C)cc1 ZINC000076616360 169243739 /nfs/dbraw/zinc/24/37/39/169243739.db2.gz HLZPEMWRHJXFTJ-ZDUSSCGKSA-N 1 0 234.343 1.954 10 0 BDAERO c1ccc(-c2nnc([C@H]3CCC[NH2+]3)o2)nc1 ZINC000032013096 183384356 /nfs/dbraw/zinc/38/43/56/183384356.db2.gz NGCCGLAQZNQVOS-SECBINFHSA-N 1 0 216.244 1.556 10 0 BDAERO CCC[NH2+]C[C@H](O)c1ccc(OC)c(N)c1 ZINC000098124940 169264628 /nfs/dbraw/zinc/26/46/28/169264628.db2.gz VWTHNYRCQXDJSR-NSHDSACASA-N 1 0 224.304 1.310 10 0 BDAERO CCC[NH2+]C[C@](C)(O)c1ccccc1OC ZINC000032014583 169264665 /nfs/dbraw/zinc/26/46/65/169264665.db2.gz TZASWQRRAADDQF-ZDUSSCGKSA-N 1 0 223.316 1.902 10 0 BDAERO CCC[NH2+]C[C@H](O)c1ccc(OC)c(F)c1 ZINC000049820787 169264840 /nfs/dbraw/zinc/26/48/40/169264840.db2.gz IVODLYJCFIQRNK-NSHDSACASA-N 1 0 227.279 1.867 10 0 BDAERO CCC[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000053302199 169265049 /nfs/dbraw/zinc/26/50/49/169265049.db2.gz WSLAFIVDEBDRSK-JTQLQIEISA-N 1 0 239.340 1.557 10 0 BDAERO CCCN[C@@H](CC[N@@H+]1CC[C@H](C)C1)C(=O)OC ZINC000062454117 169277887 /nfs/dbraw/zinc/27/78/87/169277887.db2.gz WRXFQWNZEBWACQ-RYUDHWBXSA-N 1 0 242.363 1.260 10 0 BDAERO CCCN[C@@H](C[N@@H+]1CCCC1(C)C)C(=O)OC ZINC000063072598 169279171 /nfs/dbraw/zinc/27/91/71/169279171.db2.gz KHOHLQANNRJWCF-NSHDSACASA-N 1 0 242.363 1.402 10 0 BDAERO CCC[NH2+][C@@H]1CCN(C2CCCC2)C1=O ZINC000049647745 169282435 /nfs/dbraw/zinc/28/24/35/169282435.db2.gz GSDMCGBYQSDAQG-LLVKDONJSA-N 1 0 210.321 1.530 10 0 BDAERO CCCO[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000035234729 169310461 /nfs/dbraw/zinc/31/04/61/169310461.db2.gz WGHNXGULUUZWSX-JTQLQIEISA-N 1 0 236.315 1.899 10 0 BDAERO CCCOCc1nc(C)cc(C[C@H]([NH3+])CC)n1 ZINC000054835677 169311099 /nfs/dbraw/zinc/31/10/99/169311099.db2.gz RAHOBFGCJCYULC-LLVKDONJSA-N 1 0 237.347 1.991 10 0 BDAERO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)CC(=O)OC)C1 ZINC000042423217 169311820 /nfs/dbraw/zinc/31/18/20/169311820.db2.gz YNBXDDXSMLJFLV-NWDGAFQWSA-N 1 0 243.347 1.829 10 0 BDAERO CCCO[C@H]1CCC[N@H+](CCCC(=O)OC)C1 ZINC000042423208 169312240 /nfs/dbraw/zinc/31/22/40/169312240.db2.gz RWRNCKDGPDNVPA-LBPRGKRZSA-N 1 0 243.347 1.831 10 0 BDAERO c1ccc2[nH]c(O[C@@H]3CC[NH2+]C3)nc2c1 ZINC000051867946 183435187 /nfs/dbraw/zinc/43/51/87/183435187.db2.gz HTIIMKMHVLJMTG-MRVPVSSYSA-N 1 0 203.245 1.304 10 0 BDAERO CCCNc1cc(C[N@@H+]2CC[C@H](O)C2)ccn1 ZINC000061711639 169293476 /nfs/dbraw/zinc/29/34/76/169293476.db2.gz HWMXBMFRQGYLHQ-LBPRGKRZSA-N 1 0 235.331 1.470 10 0 BDAERO CCCNc1cc2c(nn1)CC[N@H+](C)C2 ZINC000054931235 169294293 /nfs/dbraw/zinc/29/42/93/169294293.db2.gz CJIICKPGUDVDEE-UHFFFAOYSA-N 1 0 206.293 1.286 10 0 BDAERO c1ccc2oc(N3CC[C@H]4C[NH2+]C[C@H]43)nc2c1 ZINC000038008239 183461380 /nfs/dbraw/zinc/46/13/80/183461380.db2.gz QWLQDTJKWVRLKT-GXSJLCMTSA-N 1 0 229.283 1.626 10 0 BDAERO CCCS(=O)(=O)C[C@H]([NH3+])C1CCCCC1 ZINC000075418148 169329931 /nfs/dbraw/zinc/32/99/31/169329931.db2.gz DWHIKSTXJXDYCC-NSHDSACASA-N 1 0 233.377 1.719 10 0 BDAERO c1ccc2c(c1)CN(CC[NH2+]CC1CC1)CCO2 ZINC000063013470 183447149 /nfs/dbraw/zinc/44/71/49/183447149.db2.gz RILPUJSRJQHHJC-UHFFFAOYSA-N 1 0 246.354 1.881 10 0 BDAERO CCCS(=O)(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000019262353 169334060 /nfs/dbraw/zinc/33/40/60/169334060.db2.gz CRDUIKCDDBGMML-VIFPVBQESA-N 1 0 242.344 1.858 10 0 BDAERO c1cnc2[nH]c(C[C@H]3CCC[NH2+]3)nc2c1 ZINC000044264505 183487569 /nfs/dbraw/zinc/48/75/69/183487569.db2.gz MOJRQWLTOJRKOH-MRVPVSSYSA-N 1 0 202.261 1.252 10 0 BDAERO CCC[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038048636 169352368 /nfs/dbraw/zinc/35/23/68/169352368.db2.gz LQTFQMLWHGDRNG-OUAUKWLOSA-N 1 0 212.337 1.809 10 0 BDAERO CCC[C@@H](C)N(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037505035 169362986 /nfs/dbraw/zinc/36/29/86/169362986.db2.gz KWIWNVRKGMBHCT-MNOVXSKESA-N 1 0 212.337 1.776 10 0 BDAERO CCC[C@@H](CC)[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC000050165330 169380452 /nfs/dbraw/zinc/38/04/52/169380452.db2.gz XOZCNVOOODHUJH-NXEZZACHSA-N 1 0 243.351 1.389 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H](SC)C1 ZINC000236903601 169388274 /nfs/dbraw/zinc/38/82/74/169388274.db2.gz PBMSKFFTRPDCMI-GHMZBOCLSA-N 1 0 244.404 1.858 10 0 BDAERO CCC[C@@H](C[NH3+])N(C)CCc1ccccn1 ZINC000019843954 169383779 /nfs/dbraw/zinc/38/37/79/169383779.db2.gz BZEHABBATHPGCV-ZDUSSCGKSA-N 1 0 221.348 1.683 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000061821086 169388573 /nfs/dbraw/zinc/38/85/73/169388573.db2.gz JHDFXYQEVDAQLT-SNVBAGLBSA-N 1 0 212.337 1.762 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCN(CCOC)C1 ZINC000310022071 169432972 /nfs/dbraw/zinc/43/29/72/169432972.db2.gz NWCGLVUGZRVFNI-UPJWGTAASA-N 1 0 226.364 1.485 10 0 BDAERO CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@@H]2[NH3+])CC1 ZINC000238852471 166646743 /nfs/dbraw/zinc/64/67/43/166646743.db2.gz GFMLQHVAEWRLIF-QWRGUYRKSA-N 1 0 240.347 1.981 10 0 BDAERO c1ncn(C2CC[NH+](C3CCCC3)CC2)n1 ZINC000120133489 183548687 /nfs/dbraw/zinc/54/86/87/183548687.db2.gz SXYGSEMDZBSKOT-UHFFFAOYSA-N 1 0 220.320 1.858 10 0 BDAERO c1nnsc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000309249101 183553480 /nfs/dbraw/zinc/55/34/80/183553480.db2.gz DIGCPKHKVTYJMW-SNVBAGLBSA-N 1 0 238.360 1.208 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)Cn1cncn1 ZINC000309991057 169442004 /nfs/dbraw/zinc/44/20/04/169442004.db2.gz BAXZTCBFPMIWPZ-GRYCIOLGSA-N 1 0 222.336 1.835 10 0 BDAERO CCCc1nc(-c2ccc(C[NH3+])cc2)n[nH]1 ZINC000041058611 169581774 /nfs/dbraw/zinc/58/17/74/169581774.db2.gz BHZDAQSIZRIIHY-UHFFFAOYSA-N 1 0 216.288 1.883 10 0 BDAERO CCN(C(=O)[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC000037082567 169650029 /nfs/dbraw/zinc/65/00/29/169650029.db2.gz LTXGUZSZLDSLGT-WDEREUQCSA-N 1 0 212.337 1.631 10 0 BDAERO CCN(C(=O)[C@@]1(CC)CC[NH2+]C1)[C@@H](C)COC ZINC000062895467 169651575 /nfs/dbraw/zinc/65/15/75/169651575.db2.gz LKECHCFSIJGSAG-AAEUAGOBSA-N 1 0 242.363 1.260 10 0 BDAERO CC(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000184526477 134363373 /nfs/dbraw/zinc/36/33/73/134363373.db2.gz PIHXCOPDFPGTQX-NWDGAFQWSA-N 1 0 226.364 1.831 10 0 BDAERO C(c1noc(C[C@@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000087580386 383849761 /nfs/dbraw/zinc/84/97/61/383849761.db2.gz UNQQVJIIRWGQBS-JTQLQIEISA-N 1 0 221.304 1.564 10 0 BDAERO [NH3+]C[C@@H](CO)c1cccc(Br)c1 ZINC000071534505 383874120 /nfs/dbraw/zinc/87/41/20/383874120.db2.gz HVDURYQJOJOLLH-QMMMGPOBSA-N 1 0 230.105 1.484 10 0 BDAERO CC(C)(C)n1ncc(C[NH3+])c1-n1cccc1 ZINC000409434310 383829094 /nfs/dbraw/zinc/82/90/94/383829094.db2.gz QNOKKYQQTAICLO-UHFFFAOYSA-N 1 0 218.304 1.888 10 0 BDAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCc2nccn2C1 ZINC000371480402 383830968 /nfs/dbraw/zinc/83/09/68/383830968.db2.gz NYYQZHWFKMIFHU-ZYHUDNBSSA-N 1 0 219.332 1.976 10 0 BDAERO CC[C@@H](CCO)C[NH2+]Cc1cnn(C)c1C ZINC000087363105 383831065 /nfs/dbraw/zinc/83/10/65/383831065.db2.gz KBRUONJNRZTTKT-NSHDSACASA-N 1 0 225.336 1.227 10 0 BDAERO COCc1cnc(C[NH2+][C@H]2CCO[C@@H]2C)s1 ZINC000348189597 383931112 /nfs/dbraw/zinc/93/11/12/383931112.db2.gz ORDWQZMERRHKIG-SCZZXKLOSA-N 1 0 242.344 1.557 10 0 BDAERO Cc1cc(C)n(CC[NH2+][C@@H]2CCO[C@H]2C)n1 ZINC000348191751 383934187 /nfs/dbraw/zinc/93/41/87/383934187.db2.gz WDLJXDBPXPMKQX-NWDGAFQWSA-N 1 0 223.320 1.267 10 0 BDAERO Cc1c2c(ccc1O)C1(CO2)CC[NH2+]CC1 ZINC000113564575 383994922 /nfs/dbraw/zinc/99/49/22/383994922.db2.gz YULZTXQKXSLHDV-UHFFFAOYSA-N 1 0 219.284 1.714 10 0 BDAERO [NH3+]Cc1cc(Br)cc2c[nH]nc21 ZINC000089197183 383944509 /nfs/dbraw/zinc/94/45/09/383944509.db2.gz CIUFHFBZQGYDRM-UHFFFAOYSA-N 1 0 226.077 1.784 10 0 BDAERO Cc1cnc(N(C)CC[C@H]([NH3+])C(C)C)nc1 ZINC000227739099 134385869 /nfs/dbraw/zinc/38/58/69/134385869.db2.gz VILYAWXKCKCIGI-NSHDSACASA-N 1 0 222.336 1.595 10 0 BDAERO c1csc([C@@H]2C[C@@H]2CN2CC[NH2+]CC2)c1 ZINC000068592030 384001632 /nfs/dbraw/zinc/00/16/32/384001632.db2.gz SHGZQVYPGSDCLG-GHMZBOCLSA-N 1 0 222.357 1.757 10 0 BDAERO COC[C@]1(C(=O)N2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000643614549 384016449 /nfs/dbraw/zinc/01/64/49/384016449.db2.gz BOLDIXIHKVYLIH-YPMHNXCESA-N 1 0 240.347 1.014 10 0 BDAERO O=C(Nc1ccccc1F)[C@@H]1C[NH2+]CCOC1 ZINC000643615255 384021565 /nfs/dbraw/zinc/02/15/65/384021565.db2.gz YRKPORXTMXLRIW-SECBINFHSA-N 1 0 238.262 1.000 10 0 BDAERO CO[C@H]1CCC[C@@]2(C1)[NH2+]CCCS2 ZINC000234793243 384022496 /nfs/dbraw/zinc/02/24/96/384022496.db2.gz YCZZEUGSJJHWSU-VHSXEESVSA-N 1 0 201.335 1.998 10 0 BDAERO CCC[C@H](C)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643616085 384006367 /nfs/dbraw/zinc/00/63/67/384006367.db2.gz ITFKQNUZKLBXGT-CMPLNLGQSA-N 1 0 228.336 1.060 10 0 BDAERO CC(C)(C)OC(=O)N1CCCC[C@H]1[NH3+] ZINC000004202877 384045518 /nfs/dbraw/zinc/04/55/18/384045518.db2.gz GEHBIWVQKQLYNB-QMMMGPOBSA-N 1 0 200.282 1.692 10 0 BDAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@H](C)O)cc1 ZINC000070205014 384086719 /nfs/dbraw/zinc/08/67/19/384086719.db2.gz CNCAGZWGERLGST-WDEREUQCSA-N 1 0 236.315 1.292 10 0 BDAERO C[C@H](NC1=[NH+]CCS1)c1ccccn1 ZINC000035695391 384095871 /nfs/dbraw/zinc/09/58/71/384095871.db2.gz KLCXSZDEBFWMCJ-QMMMGPOBSA-N 1 0 207.302 1.835 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1Sc1ncccn1 ZINC000035722216 384099668 /nfs/dbraw/zinc/09/96/68/384099668.db2.gz YSGIBPRKZKAIGJ-IUCAKERBSA-N 1 0 209.318 1.696 10 0 BDAERO c1ccc2c(c1)CCN(CC1=[NH+]CCN1)C2 ZINC000027656312 384140976 /nfs/dbraw/zinc/14/09/76/384140976.db2.gz IGGCIRHFCHYFSV-UHFFFAOYSA-N 1 0 215.300 1.046 10 0 BDAERO [NH3+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000040999791 384173659 /nfs/dbraw/zinc/17/36/59/384173659.db2.gz YCINRROQYDVPPX-UHFFFAOYSA-N 1 0 234.280 1.998 10 0 BDAERO [NH3+]Cc1cn(-c2cc(F)ccc2F)nn1 ZINC000050224163 384163348 /nfs/dbraw/zinc/16/33/48/384163348.db2.gz DKCGBFPTDPZJFZ-UHFFFAOYSA-N 1 0 210.187 1.004 10 0 BDAERO CO[C@H](C)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000227983460 134396221 /nfs/dbraw/zinc/39/62/21/134396221.db2.gz KFSFVNGTGHQAEG-UPJWGTAASA-N 1 0 227.348 1.648 10 0 BDAERO C1[C@H](c2nnc3n2CCCCC3)C12CC[NH2+]CC2 ZINC000071790263 384179790 /nfs/dbraw/zinc/17/97/90/384179790.db2.gz FLRDEDACVZOAKE-LLVKDONJSA-N 1 0 246.358 1.862 10 0 BDAERO C[C@H]1c2ccccc2O[C@H]1C(=O)NCC[NH+](C)C ZINC000117990591 384187650 /nfs/dbraw/zinc/18/76/50/384187650.db2.gz XDYWXYSVYMKPEH-GXFFZTMASA-N 1 0 248.326 1.229 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)o1 ZINC000282338924 384237523 /nfs/dbraw/zinc/23/75/23/384237523.db2.gz MBGFEJSFEQRXSC-MWLCHTKSSA-N 1 0 222.288 1.345 10 0 BDAERO Clc1cncc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000082132886 384217166 /nfs/dbraw/zinc/21/71/66/384217166.db2.gz BQYGBPJBYWKISE-SECBINFHSA-N 1 0 238.722 1.414 10 0 BDAERO C([C@H]1CCC[NH2+]1)N1CCCSCC1 ZINC000042444847 384223493 /nfs/dbraw/zinc/22/34/93/384223493.db2.gz WVXBUTOPVSUCAO-SNVBAGLBSA-N 1 0 200.351 1.177 10 0 BDAERO Cc1c(F)cccc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335433301 384274554 /nfs/dbraw/zinc/27/45/54/384274554.db2.gz HTRKXWJCMGMWMS-JOYOIKCWSA-N 1 0 236.290 1.696 10 0 BDAERO [NH3+][C@@H]1CCOC[C@H]1Cc1ccc(F)cc1 ZINC000074155769 384275489 /nfs/dbraw/zinc/27/54/89/384275489.db2.gz KHIBBEBUSYFDLL-ZYHUDNBSSA-N 1 0 209.264 1.732 10 0 BDAERO c1ncc(CN(C[C@H]2CCC[NH2+]2)C2CC2)s1 ZINC000303740664 384303988 /nfs/dbraw/zinc/30/39/88/384303988.db2.gz BCWXWMMLZRAOFY-SNVBAGLBSA-N 1 0 237.372 1.860 10 0 BDAERO CC(C)n1cncc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000335546572 384318817 /nfs/dbraw/zinc/31/88/17/384318817.db2.gz MZJUHJSHWJHDIL-DGCLKSJQSA-N 1 0 237.347 1.667 10 0 BDAERO CCN(CC(C)C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643644149 384280968 /nfs/dbraw/zinc/28/09/68/384280968.db2.gz ITZILUYYCQRMSW-CYBMUJFWSA-N 1 0 242.363 1.260 10 0 BDAERO CN(CC1CC[NH2+]CC1)c1nc2ccccc2[nH]1 ZINC000094043125 384285754 /nfs/dbraw/zinc/28/57/54/384285754.db2.gz JBZXFWMAQRAXPM-UHFFFAOYSA-N 1 0 244.342 1.999 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)NCC[NH+](C)C)o1 ZINC000133353885 384286870 /nfs/dbraw/zinc/28/68/70/384286870.db2.gz YTHSGSAELIWVOO-SNVBAGLBSA-N 1 0 239.319 1.510 10 0 BDAERO CCc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)o1 ZINC000282455697 384287262 /nfs/dbraw/zinc/28/72/62/384287262.db2.gz STFCESOANIXYAA-CABZTGNLSA-N 1 0 236.315 1.599 10 0 BDAERO CC[C@](C)(C[N@@H+]1CCN2CCCC[C@H]2C1)OC ZINC000323165951 384291948 /nfs/dbraw/zinc/29/19/48/384291948.db2.gz UNNQJHIJCWJHCD-UONOGXRCSA-N 1 0 240.391 1.972 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000282467996 384292206 /nfs/dbraw/zinc/29/22/06/384292206.db2.gz ULTKIQXAXMQKBM-JOYOIKCWSA-N 1 0 236.290 1.582 10 0 BDAERO Cc1cccc2[nH]c([C@H]3C[NH2+]CCO3)nc21 ZINC000043705142 384297765 /nfs/dbraw/zinc/29/77/65/384297765.db2.gz DNTSDTSSSNWKSD-SNVBAGLBSA-N 1 0 217.272 1.532 10 0 BDAERO Cc1ccsc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282502185 384301309 /nfs/dbraw/zinc/30/13/09/384301309.db2.gz WSSXIWHRJSPSHD-VHSXEESVSA-N 1 0 238.356 1.813 10 0 BDAERO Clc1cnc(OCC[C@H]2CCC[NH2+]C2)nc1 ZINC000095070059 384335092 /nfs/dbraw/zinc/33/50/92/384335092.db2.gz TWNCBCOSKWIAAW-SECBINFHSA-N 1 0 241.722 1.899 10 0 BDAERO Cc1cnc(OC[C@H]2CC[NH2+]C2)nc1Cl ZINC000095069352 384335168 /nfs/dbraw/zinc/33/51/68/384335168.db2.gz LBVCUHAOPXGIDU-QMMMGPOBSA-N 1 0 227.695 1.427 10 0 BDAERO Clc1ncc(CN[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC000095070194 384336246 /nfs/dbraw/zinc/33/62/46/384336246.db2.gz MUPSWBULVQIDPD-ZETCQYMHSA-N 1 0 247.129 1.235 10 0 BDAERO Clc1nccc(COC[C@@H]2CC[NH2+]C2)n1 ZINC000095070312 384336792 /nfs/dbraw/zinc/33/67/92/384336792.db2.gz ULLCBSKIIVNEMW-MRVPVSSYSA-N 1 0 227.695 1.256 10 0 BDAERO Clc1ccnc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000095070151 384336822 /nfs/dbraw/zinc/33/68/22/384336822.db2.gz NVMLSVZQXAGXGK-ZETCQYMHSA-N 1 0 212.684 1.294 10 0 BDAERO Clc1ccc(CO[C@@H]2CC[NH2+]C2)nn1 ZINC000095070491 384336908 /nfs/dbraw/zinc/33/69/08/384336908.db2.gz ZIDRHYVRMQBUKW-MRVPVSSYSA-N 1 0 213.668 1.009 10 0 BDAERO Clc1ccc(COC[C@H]2CCCC[NH2+]2)nn1 ZINC000095070496 384337273 /nfs/dbraw/zinc/33/72/73/384337273.db2.gz XENHFJWMDTVVJE-SECBINFHSA-N 1 0 241.722 1.789 10 0 BDAERO Clc1nccnc1COC[C@@H]1CCC[NH2+]1 ZINC000095070385 384337458 /nfs/dbraw/zinc/33/74/58/384337458.db2.gz ZSINIOJTYPBEQJ-QMMMGPOBSA-N 1 0 227.695 1.399 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)c1cc(Cl)ncn1 ZINC000095071243 384338218 /nfs/dbraw/zinc/33/82/18/384338218.db2.gz AZDWNDZAGLZLCK-QMMMGPOBSA-N 1 0 226.711 1.176 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095071087 384338397 /nfs/dbraw/zinc/33/83/97/384338397.db2.gz LPTFKVGSRCDFEP-NSHDSACASA-N 1 0 205.305 1.517 10 0 BDAERO Cc1cc(C)nc(N(C)C[C@H]2CC[NH2+]C2)n1 ZINC000095071197 384339258 /nfs/dbraw/zinc/33/92/58/384339258.db2.gz XJSHVYKXLUOLLB-NSHDSACASA-N 1 0 220.320 1.139 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)nn1 ZINC000095071052 384339381 /nfs/dbraw/zinc/33/93/81/384339381.db2.gz GKJQXRKQTDJUSO-SECBINFHSA-N 1 0 240.738 1.566 10 0 BDAERO CSc1nc(Cl)cc(O[C@@H]2CC[NH2+]C2)n1 ZINC000095071779 384341224 /nfs/dbraw/zinc/34/12/24/384341224.db2.gz DHPHVJQEMWQFNV-ZCFIWIBFSA-N 1 0 245.735 1.593 10 0 BDAERO [NH3+][C@@H]1CCN(c2cccc(Br)n2)C1 ZINC000095072101 384341402 /nfs/dbraw/zinc/34/14/02/384341402.db2.gz DSQUERSHYXQQEG-SSDOTTSWSA-N 1 0 242.120 1.382 10 0 BDAERO [NH3+]C[C@H]1CCCN1c1ccnc(Cl)n1 ZINC000095072582 384342795 /nfs/dbraw/zinc/34/27/95/384342795.db2.gz JZYUFRRUXRRDAY-SSDOTTSWSA-N 1 0 212.684 1.058 10 0 BDAERO [NH3+]C[C@H]1CCCCN1CC(=O)c1nccs1 ZINC000095072445 384342946 /nfs/dbraw/zinc/34/29/46/384342946.db2.gz WGOLZVSHSNXOIR-SECBINFHSA-N 1 0 239.344 1.139 10 0 BDAERO [NH3+][C@H]1CCCN(c2ccnc(Cl)n2)C1 ZINC000095072315 384343229 /nfs/dbraw/zinc/34/32/29/384343229.db2.gz FYFHWUPQHZUGJX-ZETCQYMHSA-N 1 0 212.684 1.058 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1nccnc1Cl ZINC000095072310 384343360 /nfs/dbraw/zinc/34/33/60/384343360.db2.gz LUVCRZVTMNWANS-BDAKNGLRSA-N 1 0 240.738 1.490 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1Nc1ncc(F)cn1 ZINC000095072216 384343459 /nfs/dbraw/zinc/34/34/59/384343459.db2.gz AXQUJGMEDRBEEN-IUCAKERBSA-N 1 0 210.256 1.298 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCC(=O)c1cccs1 ZINC000095072259 384343598 /nfs/dbraw/zinc/34/35/98/384343598.db2.gz KDEWQNUJBRUZIN-VHSXEESVSA-N 1 0 238.356 1.790 10 0 BDAERO Nc1nc2ccccc2nc1N[C@H]1CCC[NH2+]C1 ZINC000095072164 384343731 /nfs/dbraw/zinc/34/37/31/384343731.db2.gz ZKECJRRWUWISEV-VIFPVBQESA-N 1 0 243.314 1.376 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1Nc1ncccc1O ZINC000095072225 384343856 /nfs/dbraw/zinc/34/38/56/384343856.db2.gz ZVSDAJVIKAJQOP-RKDXNWHRSA-N 1 0 207.277 1.469 10 0 BDAERO O=C(CO[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072822 384345781 /nfs/dbraw/zinc/34/57/81/384345781.db2.gz GSGRJZZTLNGXKN-SECBINFHSA-N 1 0 209.245 1.231 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2ncccc2F)C1 ZINC000335583357 384345943 /nfs/dbraw/zinc/34/59/43/384345943.db2.gz WHUVQVOSRXGYBP-IUCAKERBSA-N 1 0 209.268 1.760 10 0 BDAERO O=C(COC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095072864 384346378 /nfs/dbraw/zinc/34/63/78/384346378.db2.gz UDSCQLUORGBLKC-LLVKDONJSA-N 1 0 234.299 1.423 10 0 BDAERO O=[S@](Cc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000095073450 384347071 /nfs/dbraw/zinc/34/70/71/384347071.db2.gz RVWDCDVNFQEWQL-NHYWBVRUSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@@](Cc1cccnc1)C[C@H]1CCCC[NH2+]1 ZINC000095073515 384348152 /nfs/dbraw/zinc/34/81/52/384348152.db2.gz DOHHRHDGFLSEFF-MLGOLLRUSA-N 1 0 238.356 1.472 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCC(=O)c1ccccn1 ZINC000095077413 384352201 /nfs/dbraw/zinc/35/22/01/384352201.db2.gz BZTRIWABYJENIV-QWRGUYRKSA-N 1 0 233.315 1.124 10 0 BDAERO FC(F)(F)NC[C@@H]1CCC[N@@H+]1C1CC1 ZINC000095077066 384352993 /nfs/dbraw/zinc/35/29/93/384352993.db2.gz ZSOAUMULBBVPLP-QMMMGPOBSA-N 1 0 208.227 1.723 10 0 BDAERO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000095077833 384353387 /nfs/dbraw/zinc/35/33/87/384353387.db2.gz JBELPZDJIZVBSK-UHFFFAOYSA-N 1 0 230.311 1.541 10 0 BDAERO c1ccc(OCCC2CC[NH2+]CC2)nc1 ZINC000095092496 384360928 /nfs/dbraw/zinc/36/09/28/384360928.db2.gz MTCYZIRNIMHTII-UHFFFAOYSA-N 1 0 206.289 1.850 10 0 BDAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000120535721 384361130 /nfs/dbraw/zinc/36/11/30/384361130.db2.gz ZSOGDJUIPYEEJN-GBIKHYSHSA-N 1 0 243.314 1.721 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(F)cn1 ZINC000335595501 384365716 /nfs/dbraw/zinc/36/57/16/384365716.db2.gz DUDWSQGUQDIVMN-WCBMZHEXSA-N 1 0 237.278 1.547 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)c1cccnc1 ZINC000335596343 384368233 /nfs/dbraw/zinc/36/82/33/384368233.db2.gz MQZCNTISWGNTFE-JQWIXIFHSA-N 1 0 233.315 1.433 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CC2CCCC2)C1 ZINC000308827444 384325311 /nfs/dbraw/zinc/32/53/11/384325311.db2.gz IJHDYAUMEYSXPN-RYUDHWBXSA-N 1 0 213.321 1.258 10 0 BDAERO COC(=O)[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000095020546 384327391 /nfs/dbraw/zinc/32/73/91/384327391.db2.gz LKBRHDIUGOSNLJ-OLZOCXBDSA-N 1 0 245.322 1.821 10 0 BDAERO [NH3+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000044396888 384330755 /nfs/dbraw/zinc/33/07/55/384330755.db2.gz AGMABRJZFQHALP-UHFFFAOYSA-N 1 0 201.172 1.509 10 0 BDAERO [NH3+]CCc1cncc(Br)c1 ZINC000044397748 384330980 /nfs/dbraw/zinc/33/09/80/384330980.db2.gz ROSYCOHYDFZWEV-UHFFFAOYSA-N 1 0 201.067 1.345 10 0 BDAERO Cc1ccc([S@](=O)C[C@@H]2CCCC[NH2+]2)nn1 ZINC000095069118 384331549 /nfs/dbraw/zinc/33/15/49/384331549.db2.gz QTUMFXQIUJTWOZ-QFYYESIMSA-N 1 0 239.344 1.035 10 0 BDAERO Cc1ccnc([S@@](=O)[C@H]2CCC[NH2+]C2)c1 ZINC000095069211 384333064 /nfs/dbraw/zinc/33/30/64/384333064.db2.gz ZLNHEVXQVVSRJS-ZUZCIYMTSA-N 1 0 224.329 1.250 10 0 BDAERO Cc1cnc(OC[C@H]2CCC[NH2+]2)nc1Cl ZINC000095069348 384333837 /nfs/dbraw/zinc/33/38/37/384333837.db2.gz RVJGPZVOOQPPKY-MRVPVSSYSA-N 1 0 227.695 1.569 10 0 BDAERO Clc1cc(NC[C@H]2CCC[NH2+]2)ncn1 ZINC000095069820 384334455 /nfs/dbraw/zinc/33/44/55/384334455.db2.gz HRZCWYDMTSQEIE-SSDOTTSWSA-N 1 0 212.684 1.294 10 0 BDAERO CCSCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000121193614 384400197 /nfs/dbraw/zinc/40/01/97/384400197.db2.gz RXQVGFHDNAGMMQ-LLVKDONJSA-N 1 0 239.388 1.963 10 0 BDAERO O=S(=O)(Cc1ccco1)CC1CC[NH2+]CC1 ZINC000095908548 384408737 /nfs/dbraw/zinc/40/87/37/384408737.db2.gz IKILZWZAKAJDCG-UHFFFAOYSA-N 1 0 243.328 1.194 10 0 BDAERO Cn1nc(C[NH2+]C2CC2)c(-c2ccccc2)n1 ZINC000045944775 384414209 /nfs/dbraw/zinc/41/42/09/384414209.db2.gz KFBWLLZHRQEKLD-UHFFFAOYSA-N 1 0 228.299 1.734 10 0 BDAERO CC(C)[C@H]1C[N@H+](CC(C)(C)O)CCCO1 ZINC000334174324 384378637 /nfs/dbraw/zinc/37/86/37/384378637.db2.gz AYIBHTOTMAONFN-LLVKDONJSA-N 1 0 215.337 1.504 10 0 BDAERO CC[C@H](COC)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084224109 384379014 /nfs/dbraw/zinc/37/90/14/384379014.db2.gz VWMBYTYMCHULHI-AXFHLTTASA-N 1 0 201.310 1.162 10 0 BDAERO Cn1cccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084223453 384380890 /nfs/dbraw/zinc/38/08/90/384380890.db2.gz QAVRDKUOIDHUSJ-ZYHUDNBSSA-N 1 0 208.305 1.276 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ncnn1C ZINC000335608003 384386530 /nfs/dbraw/zinc/38/65/30/384386530.db2.gz WEDUEXWERSOLJC-DTWKUNHWSA-N 1 0 208.309 1.654 10 0 BDAERO C[C@@H](O)CCC[N@@H+]1CCC[C@H]1CCCO ZINC000308918989 384440697 /nfs/dbraw/zinc/44/06/97/384440697.db2.gz OLPIIHZVHZQEJG-NEPJUHHUSA-N 1 0 215.337 1.384 10 0 BDAERO CC[C@H](C)C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000238306562 384498742 /nfs/dbraw/zinc/49/87/42/384498742.db2.gz SGMVMIKNEBOTNH-XWLWVQCSSA-N 1 0 210.321 1.513 10 0 BDAERO C[C@]1(C(=O)N[C@H]2CC23CC3)CCCC[NH2+]1 ZINC000335030839 384500857 /nfs/dbraw/zinc/50/08/57/384500857.db2.gz SUVOHANISSCJRM-GXSJLCMTSA-N 1 0 208.305 1.187 10 0 BDAERO CCC[C@H](C(=O)NCc1nccs1)[NH+](C)C ZINC000136286166 384489521 /nfs/dbraw/zinc/48/95/21/384489521.db2.gz KIBSIQNJGXFXIL-SECBINFHSA-N 1 0 241.360 1.490 10 0 BDAERO CCCCNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000019392728 384519231 /nfs/dbraw/zinc/51/92/31/384519231.db2.gz KJBNLDRJWKVZDD-UHFFFAOYSA-N 1 0 242.344 1.224 10 0 BDAERO CN(CCOCC[NH3+])c1ccc2ccccc2n1 ZINC000305949415 384558486 /nfs/dbraw/zinc/55/84/86/384558486.db2.gz CQBSESQSQJWZOQ-UHFFFAOYSA-N 1 0 245.326 1.646 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCC[C@@H](SC)C1 ZINC000236800301 384571054 /nfs/dbraw/zinc/57/10/54/384571054.db2.gz PBMSKFFTRPDCMI-MNOVXSKESA-N 1 0 244.404 1.858 10 0 BDAERO Cc1ccoc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000271202320 384572785 /nfs/dbraw/zinc/57/27/85/384572785.db2.gz UQWPQPFJUHOIGJ-GFCCVEGCSA-N 1 0 220.316 1.868 10 0 BDAERO COC(=O)c1nc([C@H]2CCC[NH2+]2)sc1C ZINC000098210039 384605111 /nfs/dbraw/zinc/60/51/11/384605111.db2.gz RYRSPEAPFSAOAT-SSDOTTSWSA-N 1 0 226.301 1.663 10 0 BDAERO [NH3+]Cc1cn(-c2cccc(Cl)c2)nn1 ZINC000050224101 384608979 /nfs/dbraw/zinc/60/89/79/384608979.db2.gz SLHKZKOHFRRJMV-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO CC(C)c1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000050224094 384609488 /nfs/dbraw/zinc/60/94/88/384609488.db2.gz KVWFAXRKVNGUTM-UHFFFAOYSA-N 1 0 216.288 1.849 10 0 BDAERO COC[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000103430304 384625111 /nfs/dbraw/zinc/62/51/11/384625111.db2.gz LFFUZUOFISWPML-RYUDHWBXSA-N 1 0 242.363 1.260 10 0 BDAERO [NH3+][C@H]1CC[C@H](NC(=O)c2cccs2)CC1 ZINC000100267825 384627768 /nfs/dbraw/zinc/62/77/68/384627768.db2.gz UJFHGLJANNTROJ-DTORHVGOSA-N 1 0 224.329 1.748 10 0 BDAERO [NH3+]Cc1ccc(OCC2CC(=O)C2)cc1 ZINC000098095953 384593489 /nfs/dbraw/zinc/59/34/89/384593489.db2.gz OXEUDBXFTNBLCA-UHFFFAOYSA-N 1 0 205.257 1.503 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cnc(C)s2)C1 ZINC000309769007 384595956 /nfs/dbraw/zinc/59/59/56/384595956.db2.gz OFSKPOHVNOVOIA-NXEZZACHSA-N 1 0 242.344 1.033 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000141484936 384674171 /nfs/dbraw/zinc/67/41/71/384674171.db2.gz XMYGQAXKEOMNDO-MXWKQRLJSA-N 1 0 240.347 1.899 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H](c2cccc(F)c2)C1 ZINC000082162826 384647076 /nfs/dbraw/zinc/64/70/76/384647076.db2.gz XUWCFBZWGOBXKW-GHMZBOCLSA-N 1 0 237.274 1.692 10 0 BDAERO Cc1ccc2nc3n(c(=O)c2c1)CC[C@H]3[NH3+] ZINC000100654298 384649351 /nfs/dbraw/zinc/64/93/51/384649351.db2.gz JLIOUVWAUXPQOJ-SECBINFHSA-N 1 0 215.256 1.108 10 0 BDAERO Cc1ccc(C[C@H]2COCC[C@H]2[NH3+])cc1 ZINC000082379461 384676003 /nfs/dbraw/zinc/67/60/03/384676003.db2.gz RHBHAUPGYWTXLL-QWHCGFSZSA-N 1 0 205.301 1.901 10 0 BDAERO C[C@@]([NH3+])(CO)c1ccc(F)c(Br)c1 ZINC000061689779 384662375 /nfs/dbraw/zinc/66/23/75/384662375.db2.gz OXEBNIRTZDWMHL-SECBINFHSA-N 1 0 248.095 1.754 10 0 BDAERO CN(C)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336658362 384677760 /nfs/dbraw/zinc/67/77/60/384677760.db2.gz QFUBZKCYSMQLRL-WDEREUQCSA-N 1 0 202.317 1.666 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCC(F)(F)F ZINC000335913198 384679044 /nfs/dbraw/zinc/67/90/44/384679044.db2.gz UQZAPTREJZFNAU-NKWVEPMBSA-N 1 0 224.226 1.277 10 0 BDAERO [NH3+]C[C@@H](c1ccc(Cl)s1)n1cncn1 ZINC000043254308 384681815 /nfs/dbraw/zinc/68/18/15/384681815.db2.gz WKSQFVLPTMXGMD-LURJTMIESA-N 1 0 228.708 1.541 10 0 BDAERO Cc1ccnc(N(C)[C@H]2CCC[NH2+]C2)c1 ZINC000082500122 384685912 /nfs/dbraw/zinc/68/59/12/384685912.db2.gz YAFXXBXGYDSPDU-NSHDSACASA-N 1 0 205.305 1.578 10 0 BDAERO c1ccc2nc(OC[C@H]3CC[NH2+]C3)cnc2c1 ZINC000052018323 384709857 /nfs/dbraw/zinc/70/98/57/384709857.db2.gz GNAIKTJTFJXIMZ-JTQLQIEISA-N 1 0 229.283 1.618 10 0 BDAERO C[C@@H](C[NH3+])Oc1ccc2ncccc2c1 ZINC000082787623 384716050 /nfs/dbraw/zinc/71/60/50/384716050.db2.gz QKOZNFVLPMVFRQ-VIFPVBQESA-N 1 0 202.257 1.961 10 0 BDAERO C[C@@H]([NH3+])Cc1ccc(Br)nc1 ZINC000044461734 384731029 /nfs/dbraw/zinc/73/10/29/384731029.db2.gz BZEVNEHKIHWDBD-ZCFIWIBFSA-N 1 0 215.094 1.734 10 0 BDAERO N[C@H](C[NH3+])c1cc2c(cc1Cl)OCO2 ZINC000044472614 384740927 /nfs/dbraw/zinc/74/09/27/384740927.db2.gz DJDIORMDEMZRNT-SSDOTTSWSA-N 1 0 214.652 1.027 10 0 BDAERO CCN(C)C(=O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309983177 384760628 /nfs/dbraw/zinc/76/06/28/384760628.db2.gz XCLQAMZKPQEXBD-WDEREUQCSA-N 1 0 230.327 1.583 10 0 BDAERO CCC[C@@](C)(O)C[NH2+]Cc1cnn(C)c1C ZINC000126236845 384780218 /nfs/dbraw/zinc/78/02/18/384780218.db2.gz OIEFWDBWPJRPLX-GFCCVEGCSA-N 1 0 225.336 1.369 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccno1 ZINC000300404986 384764527 /nfs/dbraw/zinc/76/45/27/384764527.db2.gz UGKNJEMKOGKTFU-RYUDHWBXSA-N 1 0 235.331 1.733 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccn(C)n1 ZINC000309999480 384771402 /nfs/dbraw/zinc/77/14/02/384771402.db2.gz DHHQSXVKVWGKDF-OUAUKWLOSA-N 1 0 223.320 1.638 10 0 BDAERO [NH3+][C@@H](C(=O)N[C@@H]1COc2ccccc21)C1CCC1 ZINC000335021870 384772149 /nfs/dbraw/zinc/77/21/49/384772149.db2.gz JFAMIEIQOBCHRN-DGCLKSJQSA-N 1 0 246.310 1.364 10 0 BDAERO N[C@@H](C[NH3+])c1c(F)ccc(F)c1Cl ZINC000072200692 384815367 /nfs/dbraw/zinc/81/53/67/384815367.db2.gz XKJFOWZJJGJIGE-LURJTMIESA-N 1 0 206.623 1.577 10 0 BDAERO CN(CCC(C)(C)C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000648201274 384821393 /nfs/dbraw/zinc/82/13/93/384821393.db2.gz FMOKYAPYAGMZEI-LLVKDONJSA-N 1 0 242.363 1.117 10 0 BDAERO COC(=O)c1coc(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000126916520 384827346 /nfs/dbraw/zinc/82/73/46/384827346.db2.gz QJQGUDGFUIQCHU-XVKPBYJWSA-N 1 0 209.245 1.564 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000310010052 384784262 /nfs/dbraw/zinc/78/42/62/384784262.db2.gz IGSFOLMHIRVGIS-NWDGAFQWSA-N 1 0 247.404 1.980 10 0 BDAERO [NH3+]CCc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000061844078 384792106 /nfs/dbraw/zinc/79/21/06/384792106.db2.gz JPPHFSJJBAVDOI-UHFFFAOYSA-N 1 0 222.679 1.626 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccncc1 ZINC000335644668 384801195 /nfs/dbraw/zinc/80/11/95/384801195.db2.gz WUJCIZDTKAMEHS-PWSUYJOCSA-N 1 0 205.305 1.312 10 0 BDAERO [NH3+][C@H](CO)c1c(F)c(F)cc(F)c1F ZINC000072198080 384810065 /nfs/dbraw/zinc/81/00/65/384810065.db2.gz PRNUMLVESTVYSK-RXMQYKEDSA-N 1 0 209.142 1.235 10 0 BDAERO CCC1(C[NH2+]Cc2cnn(C)c2C)COC1 ZINC000310041332 384810322 /nfs/dbraw/zinc/81/03/22/384810322.db2.gz YMPOYCUSBMVPSM-UHFFFAOYSA-N 1 0 223.320 1.245 10 0 BDAERO [NH3+][C@@H](CO)c1cc2c(cc1Cl)OCO2 ZINC000072198265 384812079 /nfs/dbraw/zinc/81/20/79/384812079.db2.gz XICBXGWWAUBGAC-ZETCQYMHSA-N 1 0 215.636 1.061 10 0 BDAERO Cn1ccnc1SC1CCC([NH3+])CC1 ZINC000055143724 384872382 /nfs/dbraw/zinc/87/23/82/384872382.db2.gz UETIDTYLEIKWHJ-UHFFFAOYSA-N 1 0 211.334 1.782 10 0 BDAERO [NH3+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000026476817 384876561 /nfs/dbraw/zinc/87/65/61/384876561.db2.gz BWXWCNDLDYSPDC-VIFPVBQESA-N 1 0 244.132 1.559 10 0 BDAERO COC[C@@]1(C(=O)N2CCC(C)(C)C2)CCC[NH2+]1 ZINC000643689981 384840169 /nfs/dbraw/zinc/84/01/69/384840169.db2.gz UHJLGNYTYMNXQY-CYBMUJFWSA-N 1 0 240.347 1.014 10 0 BDAERO Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084237439 384851870 /nfs/dbraw/zinc/85/18/70/384851870.db2.gz WZFWCECITQEJLD-RKDXNWHRSA-N 1 0 243.738 1.324 10 0 BDAERO CCSCC[NH2+][C@H]1CCCN(CC)C1 ZINC000308600519 384860260 /nfs/dbraw/zinc/86/02/60/384860260.db2.gz OEMSVOCKSKKXMF-NSHDSACASA-N 1 0 216.394 1.813 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1[NH2+]C[C@@H]2CCC[C@H]21 ZINC000085475154 384950197 /nfs/dbraw/zinc/95/01/97/384950197.db2.gz NEKNRPZRUGJBHN-AEJSXWLSSA-N 1 0 211.305 1.716 10 0 BDAERO Cc1noc(C)c1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000334747698 384890429 /nfs/dbraw/zinc/89/04/29/384890429.db2.gz VMMSMKNOMGGTCL-KWQFWETISA-N 1 0 224.304 1.494 10 0 BDAERO Cn1c2ccccc2nc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000335578763 384930221 /nfs/dbraw/zinc/93/02/21/384930221.db2.gz GSFFXPCOWWJUMF-GHMZBOCLSA-N 1 0 244.342 1.677 10 0 BDAERO C[C@H](C(=O)N(CC1CC1)CC1CC1)C1C[NH2+]C1 ZINC000164568367 384934943 /nfs/dbraw/zinc/93/49/43/384934943.db2.gz REMOMGZGFRHGEN-JTQLQIEISA-N 1 0 236.359 1.491 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccco1 ZINC000085790343 384967775 /nfs/dbraw/zinc/96/77/75/384967775.db2.gz CLAKSOMGAGJVLX-MNOVXSKESA-N 1 0 224.304 1.261 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccco1 ZINC000085790342 384967830 /nfs/dbraw/zinc/96/78/30/384967830.db2.gz CLAKSOMGAGJVLX-QWRGUYRKSA-N 1 0 224.304 1.261 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccsc1 ZINC000085790248 384968180 /nfs/dbraw/zinc/96/81/80/384968180.db2.gz SKRUULCQRWTTAB-PWSUYJOCSA-N 1 0 240.372 1.729 10 0 BDAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCF)C12CCC2 ZINC000377061633 384975209 /nfs/dbraw/zinc/97/52/09/384975209.db2.gz MRTLTYXTTAYXEY-OPRDCNLKSA-N 1 0 201.285 1.749 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCF)C12CCC2 ZINC000377061630 384976009 /nfs/dbraw/zinc/97/60/09/384976009.db2.gz MRTLTYXTTAYXEY-IVZWLZJFSA-N 1 0 201.285 1.749 10 0 BDAERO CC[N@H+](CCNC(=O)[C@H]1CC[C@H](C)O1)C1CC1 ZINC000152171554 384979517 /nfs/dbraw/zinc/97/95/17/384979517.db2.gz JHYXEAWAHCUMAU-CMPLNLGQSA-N 1 0 240.347 1.154 10 0 BDAERO O=S1(=O)CCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304542054 384979991 /nfs/dbraw/zinc/97/99/91/384979991.db2.gz IUTQIGZKXDFRLT-YFKTTZPYSA-N 1 0 243.372 1.342 10 0 BDAERO CCC[C@@H](C)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233274778 259660830 /nfs/dbraw/zinc/66/08/30/259660830.db2.gz XEMFMIPKNCUKRQ-GMTAPVOTSA-N 1 0 212.337 1.489 10 0 BDAERO Cc1noc(CCC[NH2+][C@H]2CCO[C@@H]2C)n1 ZINC000129417891 384994439 /nfs/dbraw/zinc/99/44/39/384994439.db2.gz PTOUMQDTPRBEAR-SCZZXKLOSA-N 1 0 225.292 1.078 10 0 BDAERO CC(C)(C)OCCn1cc(C(C)(C)[NH3+])nn1 ZINC000164519153 385005602 /nfs/dbraw/zinc/00/56/02/385005602.db2.gz BQMCWVRBKVYIKB-UHFFFAOYSA-N 1 0 226.324 1.287 10 0 BDAERO CC(C)C1([NH2+]C[C@H](O)COC(C)(C)C)CC1 ZINC000339516234 385011043 /nfs/dbraw/zinc/01/10/43/385011043.db2.gz NHWDKMKMSOIXSM-NSHDSACASA-N 1 0 229.364 1.941 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc(F)c(F)c1 ZINC000058552024 385014790 /nfs/dbraw/zinc/01/47/90/385014790.db2.gz CFVVAXCJLYHMSU-RQJHMYQMSA-N 1 0 228.242 1.489 10 0 BDAERO CCCc1nnc(SCC[NH3+])n1CC ZINC000058823416 385025292 /nfs/dbraw/zinc/02/52/92/385025292.db2.gz BMYACASJGGVBEQ-UHFFFAOYSA-N 1 0 214.338 1.301 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccccc1O ZINC000157231684 385109252 /nfs/dbraw/zinc/10/92/52/385109252.db2.gz WXGOPYURHISLKX-CMPLNLGQSA-N 1 0 248.326 1.191 10 0 BDAERO CSc1cccc(-n2nncc2C[NH3+])c1 ZINC000062265630 385109377 /nfs/dbraw/zinc/10/93/77/385109377.db2.gz NXLKGSPGMYZKPU-UHFFFAOYSA-N 1 0 220.301 1.448 10 0 BDAERO Cc1ccnc(OCC[C@H]2CCCC[NH2+]2)n1 ZINC000061859910 385142558 /nfs/dbraw/zinc/14/25/58/385142558.db2.gz VNMUGVAYIOEAAH-LLVKDONJSA-N 1 0 221.304 1.696 10 0 BDAERO c1cnc2c(c1)nccc2N1CCC[NH2+]CC1 ZINC000341028864 385106685 /nfs/dbraw/zinc/10/66/85/385106685.db2.gz DYVKXLNMIGRDKC-UHFFFAOYSA-N 1 0 228.299 1.430 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2cccc(F)n2)C1 ZINC000062983294 385199323 /nfs/dbraw/zinc/19/93/23/385199323.db2.gz XZVGISMJSITGPS-VIFPVBQESA-N 1 0 209.268 1.361 10 0 BDAERO c1ncn(CC[NH2+][C@@H]2CCC23CCC3)n1 ZINC000308845592 385208358 /nfs/dbraw/zinc/20/83/58/385208358.db2.gz PFQJJUOZDRYZDG-SNVBAGLBSA-N 1 0 206.293 1.200 10 0 BDAERO COC(=O)CN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107797199 385212865 /nfs/dbraw/zinc/21/28/65/385212865.db2.gz MFXDQJBMIDLBAN-GFCCVEGCSA-N 1 0 240.347 1.110 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](Cc3ccnn3C)C2)cn1 ZINC000130212888 385227906 /nfs/dbraw/zinc/22/79/06/385227906.db2.gz SFFJGSBVCFJXGY-NSHDSACASA-N 1 0 245.330 1.143 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCC(C)C)C1 ZINC000344065204 385249785 /nfs/dbraw/zinc/24/97/85/385249785.db2.gz SEMYJCPGEBPGNY-RYUDHWBXSA-N 1 0 215.337 1.504 10 0 BDAERO [NH3+]Cc1cn(Cc2cccc3ccccc32)nn1 ZINC000050224498 385310945 /nfs/dbraw/zinc/31/09/45/385310945.db2.gz OKAWMVAVQSHDAX-UHFFFAOYSA-N 1 0 238.294 1.938 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000052287852 385273003 /nfs/dbraw/zinc/27/30/03/385273003.db2.gz JIAVSFPCRREOMA-KOLCDFICSA-N 1 0 201.273 1.832 10 0 BDAERO CC(C)C[C@H](C)C[NH2+]CCn1cncn1 ZINC000308980894 385323584 /nfs/dbraw/zinc/32/35/84/385323584.db2.gz IBSKAWDTMWZTPU-NSHDSACASA-N 1 0 210.325 1.550 10 0 BDAERO C[C@@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCCO1 ZINC000308986720 385331331 /nfs/dbraw/zinc/33/13/31/385331331.db2.gz JYJDLCXNOPMPBB-WYUUTHIRSA-N 1 0 212.337 1.094 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000336727694 385366680 /nfs/dbraw/zinc/36/66/80/385366680.db2.gz WBCLTXKTABMHQN-MELADBBJSA-N 1 0 241.375 1.774 10 0 BDAERO O=C(c1cscn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000062662238 385382893 /nfs/dbraw/zinc/38/28/93/385382893.db2.gz LDFNXKJTSZESGL-SECBINFHSA-N 1 0 237.328 1.063 10 0 BDAERO c1ccc2c(c1)ccnc2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000168732720 385384452 /nfs/dbraw/zinc/38/44/52/385384452.db2.gz PUXYJIPLUDUNRT-BETUJISGSA-N 1 0 239.322 1.890 10 0 BDAERO C[C@@H](O)CC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000309072083 385403400 /nfs/dbraw/zinc/40/34/00/385403400.db2.gz OBQSPEPEFJBKCH-ZYHUDNBSSA-N 1 0 223.320 1.328 10 0 BDAERO Cc1noc(C)c1[C@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000178667191 385405354 /nfs/dbraw/zinc/40/53/54/385405354.db2.gz ABEVHCCPTQLXHX-SFYZADRCSA-N 1 0 239.319 1.248 10 0 BDAERO c1cnc(-c2n[nH]c([C@H]3CCCC[NH2+]3)n2)cn1 ZINC000169676320 385417497 /nfs/dbraw/zinc/41/74/97/385417497.db2.gz QHPAEAFYXCGMRJ-MRVPVSSYSA-N 1 0 230.275 1.076 10 0 BDAERO COC(=O)[C@H](N)[C@@H](C)Oc1cccc(F)c1 ZINC000169726775 385419074 /nfs/dbraw/zinc/41/90/74/385419074.db2.gz HSSWJODBLPYXDM-GMSGAONNSA-N 1 0 227.235 1.093 10 0 BDAERO [NH3+]Cc1noc2c1CN(Cc1ccccc1)CC2 ZINC000156190382 385441409 /nfs/dbraw/zinc/44/14/09/385441409.db2.gz MBQIKVWVXUCSNF-UHFFFAOYSA-N 1 0 243.310 1.692 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2)C1 ZINC000170861462 385450725 /nfs/dbraw/zinc/45/07/25/385450725.db2.gz YROLBNFZSUPMDO-CYBMUJFWSA-N 1 0 247.342 1.532 10 0 BDAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccncc1 ZINC000156420712 385450819 /nfs/dbraw/zinc/45/08/19/385450819.db2.gz ZCUYMEVFTUBXKU-QWHCGFSZSA-N 1 0 249.358 1.453 10 0 BDAERO C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000194951588 385454008 /nfs/dbraw/zinc/45/40/08/385454008.db2.gz PPLLMHMCNJKFAM-MWLCHTKSSA-N 1 0 209.293 1.318 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCCCF ZINC000309137465 385431441 /nfs/dbraw/zinc/43/14/41/385431441.db2.gz SJLXQJGNQPOHSX-VHSXEESVSA-N 1 0 216.300 1.383 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+][C@@H](CC(C)(C)C)C1 ZINC000259484518 385479372 /nfs/dbraw/zinc/47/93/72/385479372.db2.gz CFNRMWHYONWUOV-NXEZZACHSA-N 1 0 213.321 1.964 10 0 BDAERO Cc1cnc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)s1 ZINC000282044242 385491045 /nfs/dbraw/zinc/49/10/45/385491045.db2.gz ATYYZLVKBHIMQU-DTWKUNHWSA-N 1 0 239.344 1.208 10 0 BDAERO CCC[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000590517089 385489245 /nfs/dbraw/zinc/48/92/45/385489245.db2.gz RXGCEAUCRXFYMV-QWRGUYRKSA-N 1 0 227.352 1.521 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1nccs1 ZINC000180591653 385530798 /nfs/dbraw/zinc/53/07/98/385530798.db2.gz PPOKYBRVRLHSEZ-BDAKNGLRSA-N 1 0 249.343 1.400 10 0 BDAERO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCCCF ZINC000336779775 385530962 /nfs/dbraw/zinc/53/09/62/385530962.db2.gz POSVXBYRECYGLG-SNVBAGLBSA-N 1 0 230.327 1.773 10 0 BDAERO CC[C@@H]1CN(c2ncnc3[nH]ccc32)CC[C@@H]1[NH3+] ZINC000643033508 385535857 /nfs/dbraw/zinc/53/58/57/385535857.db2.gz ODFACMCWKKFNKL-KOLCDFICSA-N 1 0 245.330 1.522 10 0 BDAERO c1cc2ccncc2c([C@H]2C[NH2+]CCO2)c1 ZINC000258005626 385520263 /nfs/dbraw/zinc/52/02/63/385520263.db2.gz HSOJDDSUGNEAEQ-CYBMUJFWSA-N 1 0 214.268 1.896 10 0 BDAERO Clc1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc1 ZINC000166621014 385520510 /nfs/dbraw/zinc/52/05/10/385520510.db2.gz OPZWNZQCUHBNFF-IUCAKERBSA-N 1 0 209.680 1.286 10 0 BDAERO FC1(F)CCN(C[C@H]2CCCC[NH2+]2)C1 ZINC000258204960 385550520 /nfs/dbraw/zinc/55/05/20/385550520.db2.gz XCGWZSJFRNXAKH-SECBINFHSA-N 1 0 204.264 1.470 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000054075495 385594462 /nfs/dbraw/zinc/59/44/62/385594462.db2.gz SYGYPFXDANKVJM-ZJUUUORDSA-N 1 0 221.304 1.209 10 0 BDAERO C[NH2+][C@H](C(N)=O)c1csc2ccccc21 ZINC000054464942 385596843 /nfs/dbraw/zinc/59/68/43/385596843.db2.gz WFZSRECPVDUKFB-JTQLQIEISA-N 1 0 220.297 1.647 10 0 BDAERO Cc1ccc2c(c1)CC(=O)N2C[C@H]1C[C@H]1[NH3+] ZINC000211938765 385700997 /nfs/dbraw/zinc/70/09/97/385700997.db2.gz WOBQUWWQRASFQH-GHMZBOCLSA-N 1 0 216.284 1.231 10 0 BDAERO [NH3+][C@H]1COc2c(Cl)cc(Cl)cc2[C@H]1O ZINC000211939893 385701161 /nfs/dbraw/zinc/70/11/61/385701161.db2.gz UCGVHYJDMIEGIJ-JGVFFNPUSA-N 1 0 234.082 1.747 10 0 BDAERO Cc1ccc(Br)cc1C[C@@H]([NH3+])CO ZINC000259158245 385671639 /nfs/dbraw/zinc/67/16/39/385671639.db2.gz GGFYKIGQDSPKAF-SNVBAGLBSA-N 1 0 244.132 1.620 10 0 BDAERO CCc1cccc(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000052395638 385731539 /nfs/dbraw/zinc/73/15/39/385731539.db2.gz XAAIMJSUGDBJGI-SECBINFHSA-N 1 0 206.289 1.795 10 0 BDAERO [NH3+]Cc1ccoc1Cn1cc(Cl)cn1 ZINC000052577168 385742407 /nfs/dbraw/zinc/74/24/07/385742407.db2.gz UAAKUSDUKUXVGF-UHFFFAOYSA-N 1 0 211.652 1.637 10 0 BDAERO CC[C@H]([NH3+])CNc1nccc(C(C)(C)C)n1 ZINC000309633178 385755745 /nfs/dbraw/zinc/75/57/45/385755745.db2.gz LFTMIPONMCSRBR-VIFPVBQESA-N 1 0 222.336 1.923 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCSC1 ZINC000336702151 385767552 /nfs/dbraw/zinc/76/75/52/385767552.db2.gz YQYUVLVCQIQPLD-VHSXEESVSA-N 1 0 217.378 1.736 10 0 BDAERO COCCC(C)(C)[NH2+]Cc1cnn(C)c1C ZINC000309650505 385769555 /nfs/dbraw/zinc/76/95/55/385769555.db2.gz NXZBYNNSSQAQMA-UHFFFAOYSA-N 1 0 225.336 1.633 10 0 BDAERO C[C@@H](O)C[N@H+](CCO)C[C@H]1Cc2ccccc21 ZINC000289918852 385725331 /nfs/dbraw/zinc/72/53/31/385725331.db2.gz UCTTZDLGKITQAQ-DGCLKSJQSA-N 1 0 235.327 1.001 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1c1ccccc1OC ZINC000215991070 385857567 /nfs/dbraw/zinc/85/75/67/385857567.db2.gz BNGQVWYNCWYKLE-JQWIXIFHSA-N 1 0 249.310 1.561 10 0 BDAERO CC(C)[C@H]([NH3+])CCN(C)C(=O)C1CC(C)C1 ZINC000521433522 385824887 /nfs/dbraw/zinc/82/48/87/385824887.db2.gz COXHUJWIURKZFU-HTAVTVPLSA-N 1 0 226.364 1.864 10 0 BDAERO c1nc(N2CCCC2)nc2c1[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000215684343 385849166 /nfs/dbraw/zinc/84/91/66/385849166.db2.gz FJLRJHCGPNVNKD-GXSJLCMTSA-N 1 0 230.315 1.426 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC#N ZINC000307318011 385851269 /nfs/dbraw/zinc/85/12/69/385851269.db2.gz LNQVERYRRVKKQC-OCCSQVGLSA-N 1 0 229.327 1.968 10 0 BDAERO CC(C)n1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)nn1 ZINC000336707391 385794206 /nfs/dbraw/zinc/79/42/06/385794206.db2.gz NKQOOWIOZBLPIE-JQWIXIFHSA-N 1 0 238.335 1.110 10 0 BDAERO C[C@@H]1CC[C@]2(C[C@]2(C[NH3+])CO)CS1 ZINC000575534882 385895353 /nfs/dbraw/zinc/89/53/53/385895353.db2.gz NTEBAPZENFRSOW-UTLUCORTSA-N 1 0 201.335 1.229 10 0 BDAERO Cc1nnsc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000308905192 385909440 /nfs/dbraw/zinc/90/94/40/385909440.db2.gz LFZALJKODNVTPN-IUCAKERBSA-N 1 0 227.333 1.097 10 0 BDAERO C[C@]1(C[C@H]2CCCO2)[NH2+]CCCS1 ZINC000575530049 385862466 /nfs/dbraw/zinc/86/24/66/385862466.db2.gz AZMALKIIJFTJHZ-ZJUUUORDSA-N 1 0 201.335 1.998 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2CCSC2)c1 ZINC000124111260 385991051 /nfs/dbraw/zinc/99/10/51/385991051.db2.gz QMCZNKBUDMOJDI-JTQLQIEISA-N 1 0 211.334 1.287 10 0 BDAERO COc1cccnc1N1CC[C@H]([NH3+])[C@@H]1C ZINC000309034429 385941434 /nfs/dbraw/zinc/94/14/34/385941434.db2.gz DYYINMXSXHFJEI-IUCAKERBSA-N 1 0 207.277 1.016 10 0 BDAERO COc1cccnc1N1CC[C@@H]([NH3+])[C@H]1C ZINC000309034430 385941730 /nfs/dbraw/zinc/94/17/30/385941730.db2.gz DYYINMXSXHFJEI-RKDXNWHRSA-N 1 0 207.277 1.016 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000336768303 385943204 /nfs/dbraw/zinc/94/32/04/385943204.db2.gz ULOUONYNLDPSII-LPEHRKFASA-N 1 0 210.321 1.432 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC(C)(C)C ZINC000336749127 385993786 /nfs/dbraw/zinc/99/37/86/385993786.db2.gz DXFMGVYFQGOERP-VHSXEESVSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H]1SCCC[C@@H]1[NH2+]C1CSC1 ZINC000575545081 385966486 /nfs/dbraw/zinc/96/64/86/385966486.db2.gz IBOIQEIMHQHDNR-CBAPKCEASA-N 1 0 203.376 1.976 10 0 BDAERO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCCNC1=O ZINC000336751009 386006964 /nfs/dbraw/zinc/00/69/64/386006964.db2.gz GFEIPUQKPUMMPA-GXSJLCMTSA-N 1 0 210.321 1.433 10 0 BDAERO Cc1nc([C@]2([NH3+])CSC[C@@H]2C)cs1 ZINC000575561462 386017175 /nfs/dbraw/zinc/01/71/75/386017175.db2.gz PFLSGGZGSIJKQC-RCOVLWMOSA-N 1 0 214.359 1.988 10 0 BDAERO C[C@H]1CSC[C@@]1([NH3+])c1cncs1 ZINC000575562328 386027935 /nfs/dbraw/zinc/02/79/35/386027935.db2.gz YTBWMSSYNUAGIN-XPUUQOCRSA-N 1 0 200.332 1.680 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189775666 386087543 /nfs/dbraw/zinc/08/75/43/386087543.db2.gz DIEKEXLDXHEODZ-WDEREUQCSA-N 1 0 239.363 1.521 10 0 BDAERO C[C@H]1[C@H](C2CCCCC2)OCC[N@@H+]1CCO ZINC000039110991 386147004 /nfs/dbraw/zinc/14/70/04/386147004.db2.gz HCSROBCNBKUTEE-WCQYABFASA-N 1 0 227.348 1.648 10 0 BDAERO C[C@H]1CN(C(=O)CC2CCSCC2)C[C@@H]1[NH3+] ZINC000235652968 386183163 /nfs/dbraw/zinc/18/31/63/386183163.db2.gz KBOBDEXJDBBPFQ-ONGXEEELSA-N 1 0 242.388 1.325 10 0 BDAERO COCC1(C[NH2+]C[C@H]2CCCC[C@H]2O)CCC1 ZINC000310434869 386184600 /nfs/dbraw/zinc/18/46/00/386184600.db2.gz RAQVQZMCAXARRL-CHWSQXEVSA-N 1 0 241.375 1.944 10 0 BDAERO Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cn1 ZINC000425526210 386311645 /nfs/dbraw/zinc/31/16/45/386311645.db2.gz JBBBTPSANYVWDR-OUCADQQQSA-N 1 0 247.342 1.378 10 0 BDAERO C[C@H]1CN(C(=O)N[C@@H]2CC[C@@H](C)CC2)C[C@H]1[NH3+] ZINC000417552594 386359748 /nfs/dbraw/zinc/35/97/48/386359748.db2.gz DOZYERQQFSADRM-FIQHERPVSA-N 1 0 239.363 1.554 10 0 BDAERO C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C(C)(C)C ZINC000399185942 386444172 /nfs/dbraw/zinc/44/41/72/386444172.db2.gz TXIWPYWBBNBDQQ-KXUCPTDWSA-N 1 0 212.337 1.474 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000416818892 386401593 /nfs/dbraw/zinc/40/15/93/386401593.db2.gz ZRSVUPQGOWCCAO-AXFHLTTASA-N 1 0 227.352 1.458 10 0 BDAERO CN(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336776848 386403964 /nfs/dbraw/zinc/40/39/64/386403964.db2.gz GUZLAWNCQCWRHF-IJLUTSLNSA-N 1 0 232.343 1.027 10 0 BDAERO Fc1cccc(-c2cc3c(nn2)CC[NH2+]C3)c1 ZINC000521399587 386433977 /nfs/dbraw/zinc/43/39/77/386433977.db2.gz GNCSLPAIPQAQGA-UHFFFAOYSA-N 1 0 229.258 1.928 10 0 BDAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCN(C(C)=O)CC1 ZINC000165055808 386491417 /nfs/dbraw/zinc/49/14/17/386491417.db2.gz GXVAVKVGRMGFHO-AAEUAGOBSA-N 1 0 224.348 1.776 10 0 BDAERO O=C1Nc2cccc(Cl)c2[C@]12CC[NH2+]C2 ZINC000299889024 386496461 /nfs/dbraw/zinc/49/64/61/386496461.db2.gz CIZLXRXGIRYPFI-LLVKDONJSA-N 1 0 222.675 1.523 10 0 BDAERO Cc1ncc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)s1 ZINC000399228191 386462662 /nfs/dbraw/zinc/46/26/62/386462662.db2.gz ZAVFVBMZXLCHIP-WPRPVWTQSA-N 1 0 226.345 1.797 10 0 BDAERO Nc1ccc(SC[C@@H]2CC[NH2+]C2)nc1 ZINC000051891146 386628121 /nfs/dbraw/zinc/62/81/21/386628121.db2.gz HIYCAPIDGOWEDD-MRVPVSSYSA-N 1 0 209.318 1.365 10 0 BDAERO C[C@](O)(C[N@@H+]1C[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000337179550 386637572 /nfs/dbraw/zinc/63/75/72/386637572.db2.gz LHNVDANULNIWEI-YIZRAAEISA-N 1 0 223.238 1.784 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184961567 386651019 /nfs/dbraw/zinc/65/10/19/386651019.db2.gz ADBBOJVSVGGTEB-XQHKEYJVSA-N 1 0 238.375 1.864 10 0 BDAERO Cc1nc(CN[C@@H](C)[C@H]2CC[NH2+]C2)sc1C ZINC000415082513 386600061 /nfs/dbraw/zinc/60/00/61/386600061.db2.gz OMHULAOSKHUOSW-ONGXEEELSA-N 1 0 239.388 1.848 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000312756998 386668936 /nfs/dbraw/zinc/66/89/36/386668936.db2.gz IIFCETPARNFUOW-SECBINFHSA-N 1 0 211.305 1.718 10 0 BDAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000050394607 386674987 /nfs/dbraw/zinc/67/49/87/386674987.db2.gz KJIARKJQMRQDGO-ZIAGYGMSSA-N 1 0 244.338 1.932 10 0 BDAERO CC[C@](O)(c1ccsc1)[C@@H]1C=CC[NH2+]1 ZINC000306683298 386675889 /nfs/dbraw/zinc/67/58/89/386675889.db2.gz VIXAJVZSCYFCRO-QWRGUYRKSA-N 1 0 209.314 1.874 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cnccn1 ZINC000246895072 386684082 /nfs/dbraw/zinc/68/40/82/386684082.db2.gz GSUMYVMMCKQVQL-DMDPSCGWSA-N 1 0 235.331 1.678 10 0 BDAERO c1ccc(COC2CC(N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000520565645 386695796 /nfs/dbraw/zinc/69/57/96/386695796.db2.gz RTUBYLGJNVKKJC-WLYUNCDWSA-N 1 0 246.354 1.686 10 0 BDAERO CCO[C@@H]([NH3+])Cc1cc(OC)c(F)cc1F ZINC000575448741 386739955 /nfs/dbraw/zinc/73/99/55/386739955.db2.gz NOZWVPJRMDKXGE-LLVKDONJSA-N 1 0 231.242 1.837 10 0 BDAERO C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000248755909 386794254 /nfs/dbraw/zinc/79/42/54/386794254.db2.gz PPLLMHMCNJKFAM-KOLCDFICSA-N 1 0 209.293 1.318 10 0 BDAERO Cc1cnc(N2CCC[C@@H](C)[C@H]2C[NH3+])nc1C ZINC000395416712 386827225 /nfs/dbraw/zinc/82/72/25/386827225.db2.gz KLTKGEJDZPDBDT-BXKDBHETSA-N 1 0 234.347 1.657 10 0 BDAERO CC(C)(C)CC[N@@H+]1CC[C@H](n2ccnn2)C1 ZINC000585378922 386853427 /nfs/dbraw/zinc/85/34/27/386853427.db2.gz BKGRFOJQRXBZHM-NSHDSACASA-N 1 0 222.336 1.961 10 0 BDAERO c1cn([C@@H]2CC[N@@H+](CC3CCCC3)C2)nn1 ZINC000585380312 386852784 /nfs/dbraw/zinc/85/27/84/386852784.db2.gz VIDVTWARKXVARD-GFCCVEGCSA-N 1 0 220.320 1.715 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc2c[nH]nc2c1 ZINC000334845648 386894890 /nfs/dbraw/zinc/89/48/90/386894890.db2.gz ZQYXGWKDCVQFOI-SKDRFNHKSA-N 1 0 230.315 1.484 10 0 BDAERO COC(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398723741 386968756 /nfs/dbraw/zinc/96/87/56/386968756.db2.gz SUQKVBCULAWFLF-SDDRHHMPSA-N 1 0 241.331 1.032 10 0 BDAERO Cn1cc(CC[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cn1 ZINC000398822767 386999906 /nfs/dbraw/zinc/99/99/06/386999906.db2.gz ZSNVNCRZKBIDGH-IHRRRGAJSA-N 1 0 249.358 1.055 10 0 BDAERO C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000648101672 387002589 /nfs/dbraw/zinc/00/25/89/387002589.db2.gz QSZJFTOTUKGVGD-WHOHXGKFSA-N 1 0 224.348 1.761 10 0 BDAERO CC1(C)CS[C@]2(CCC[NH2+]CC2)N1 ZINC000575575828 387004358 /nfs/dbraw/zinc/00/43/58/387004358.db2.gz NTHVOJRFQWMMQG-JTQLQIEISA-N 1 0 200.351 1.571 10 0 BDAERO [NH3+][C@@]1(Cc2ccns2)CCCSC1 ZINC000575459605 387035257 /nfs/dbraw/zinc/03/52/57/387035257.db2.gz MSKCTYRYKAZIAN-SECBINFHSA-N 1 0 214.359 1.910 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000368809197 387009509 /nfs/dbraw/zinc/00/95/09/387009509.db2.gz HGOBHIXJJHWXJY-RYUDHWBXSA-N 1 0 213.321 1.258 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000648022925 387018552 /nfs/dbraw/zinc/01/85/52/387018552.db2.gz RCTINOJQLZYDSE-WDEREUQCSA-N 1 0 226.364 1.912 10 0 BDAERO [NH3+][C@H]1COC[C@@H]1Cc1sccc1Cl ZINC000575458006 387022854 /nfs/dbraw/zinc/02/28/54/387022854.db2.gz WIZNHFRABDXYDQ-XPUUQOCRSA-N 1 0 217.721 1.918 10 0 BDAERO COC(=O)[C@@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000107050405 387026271 /nfs/dbraw/zinc/02/62/71/387026271.db2.gz BKFQOFXANZLMRR-GARJFASQSA-N 1 0 213.321 1.964 10 0 BDAERO C(NC1=[NH+]CCS1)C1SCCS1 ZINC000575455571 387027603 /nfs/dbraw/zinc/02/76/03/387027603.db2.gz LJZMBKPAEHKQSO-UHFFFAOYSA-N 1 0 220.388 1.485 10 0 BDAERO C[C@H](CC1CC1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070256966 387073613 /nfs/dbraw/zinc/07/36/13/387073613.db2.gz AYMPIXVGANTVJG-ZYHUDNBSSA-N 1 0 236.359 1.681 10 0 BDAERO [NH3+][C@@H]1COC[C@@H]1c1sccc1Cl ZINC000575469227 387089336 /nfs/dbraw/zinc/08/93/36/387089336.db2.gz OODOHPXTEMVSGO-CAHLUQPWSA-N 1 0 203.694 1.843 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@]1(F)c1cncs1 ZINC000575470898 387105054 /nfs/dbraw/zinc/10/50/54/387105054.db2.gz JGMDDWOPNZANHC-APPZFPTMSA-N 1 0 200.282 1.937 10 0 BDAERO [NH3+][C@H]1COC[C@@H]1c1cscc1Br ZINC000575472505 387105868 /nfs/dbraw/zinc/10/58/68/387105868.db2.gz MGIIUNFNLSVYFV-XRGYYRRGSA-N 1 0 248.145 1.952 10 0 BDAERO [NH3+][C@H]1COC[C@H]1Cc1coc(Br)c1 ZINC000575471804 387110259 /nfs/dbraw/zinc/11/02/59/387110259.db2.gz FZQVTGXGHPJRJJ-SFYZADRCSA-N 1 0 246.104 1.558 10 0 BDAERO [NH3+][C@@H](CCF)c1ccc2c(c1)OCCO2 ZINC000575439621 387124144 /nfs/dbraw/zinc/12/41/44/387124144.db2.gz WAVATGCOBDVEMT-VIFPVBQESA-N 1 0 211.236 1.817 10 0 BDAERO Cc1occc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000321350082 387126347 /nfs/dbraw/zinc/12/63/47/387126347.db2.gz BUBXVOOBLSEUPM-LDYMZIIASA-N 1 0 222.288 1.345 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCC(C)C)C1 ZINC000057790728 387145770 /nfs/dbraw/zinc/14/57/70/387145770.db2.gz MBNJLEYPXMAFEF-LBPRGKRZSA-N 1 0 241.379 1.816 10 0 BDAERO C1C[C@H](S[C@H]2CCC[NH2+]CC2)CO1 ZINC000575585901 387145918 /nfs/dbraw/zinc/14/59/18/387145918.db2.gz PGNMCVPMBVYPKO-UWVGGRQHSA-N 1 0 201.335 1.651 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(O)ccc1Cl ZINC000106880015 387154817 /nfs/dbraw/zinc/15/48/17/387154817.db2.gz GNOJWXXZHRSIPN-SECBINFHSA-N 1 0 201.653 1.298 10 0 BDAERO CCc1nc([C@@H]2CC[C@@H](C[NH3+])O2)cs1 ZINC000306202031 387161727 /nfs/dbraw/zinc/16/17/27/387161727.db2.gz LAGVALNWORJUFU-CBAPKCEASA-N 1 0 212.318 1.884 10 0 BDAERO CCC1(CC)C[NH2+]C[C@@H]1c1ccn(C)n1 ZINC000536951906 387163661 /nfs/dbraw/zinc/16/36/61/387163661.db2.gz ZTUIRTVIDGZORZ-SNVBAGLBSA-N 1 0 207.321 1.913 10 0 BDAERO C[C@@H]1C[NH2+]Cc2c1c(=O)[nH]n2Cc1ccccc1 ZINC000536956127 387169505 /nfs/dbraw/zinc/16/95/05/387169505.db2.gz YFAYMPJMPOBEMV-SNVBAGLBSA-N 1 0 243.310 1.844 10 0 BDAERO CC[C@]1(C(=O)N[C@@H](C)c2ccncc2)CC[NH2+]C1 ZINC000062890658 387177738 /nfs/dbraw/zinc/17/77/38/387177738.db2.gz SDQQMZHXZGMCOS-FZMZJTMJSA-N 1 0 247.342 1.649 10 0 BDAERO CC[C@@H]([NH3+])c1nn(C)cc1Br ZINC000575482062 387182659 /nfs/dbraw/zinc/18/26/59/387182659.db2.gz JASIAJQUPNIHJN-ZCFIWIBFSA-N 1 0 218.098 1.592 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000284460453 387189644 /nfs/dbraw/zinc/18/96/44/387189644.db2.gz CRIQDRVIYRNCJE-LSDHHAIUSA-N 1 0 249.354 1.885 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@H]1C)C(C)C ZINC000247961195 387136794 /nfs/dbraw/zinc/13/67/94/387136794.db2.gz GFOIEJFWQJSVJS-MCIONIFRSA-N 1 0 242.407 1.976 10 0 BDAERO C[C@@H]1C[C@H](N)C[N@H+]1[C@H]1CSC[C@H]1C ZINC000575590163 387203608 /nfs/dbraw/zinc/20/36/08/387203608.db2.gz GIUXMMKZRFVOAA-IMSYWVGJSA-N 1 0 200.351 1.159 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1nc(Cl)cs1 ZINC000575593247 387226372 /nfs/dbraw/zinc/22/63/72/387226372.db2.gz ZNCYZGYWWZOVIQ-PHDIDXHHSA-N 1 0 217.725 1.722 10 0 BDAERO C(NC1=[NH+]CCC1)C1SCCS1 ZINC000575486012 387249661 /nfs/dbraw/zinc/24/96/61/387249661.db2.gz TYSVQDSUOOASHV-UHFFFAOYSA-N 1 0 202.348 1.574 10 0 BDAERO 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1.921 10 0 BDAERO C/C=C/[C@@H]([NH3+])c1c(Br)cnn1C ZINC000575546503 387632911 /nfs/dbraw/zinc/63/29/11/387632911.db2.gz UHOSWDFZLXJOOF-KGGZQZJCSA-N 1 0 230.109 1.759 10 0 BDAERO [NH3+]C1(c2cc(F)ccc2F)CSC1 ZINC000575548620 387646276 /nfs/dbraw/zinc/64/62/76/387646276.db2.gz FUVKVAZGRMJZBB-UHFFFAOYSA-N 1 0 201.241 1.866 10 0 BDAERO CC[C@@H]1CN(C2CSC2)[C@@H](C)C[NH2+]1 ZINC000575549305 387647846 /nfs/dbraw/zinc/64/78/46/387647846.db2.gz KLNSSMGSSFZFFT-DTWKUNHWSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@@H]1C[NH2+]C(C)(C)CN1C1CSC1 ZINC000575549727 387648298 /nfs/dbraw/zinc/64/82/98/387648298.db2.gz MHKQLQLFZFUTPV-MRVPVSSYSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1nnc(C[C@@]2([NH3+])CCSC2)s1 ZINC000575564295 387706788 /nfs/dbraw/zinc/70/67/88/387706788.db2.gz FEJXYTAXIIEJKV-QMMMGPOBSA-N 1 0 215.347 1.223 10 0 BDAERO C[C@@H]1SCC[C@@]1([NH3+])Cc1ccns1 ZINC000575568779 387729564 /nfs/dbraw/zinc/72/95/64/387729564.db2.gz ODRFAJZBCNIYOL-IONNQARKSA-N 1 0 214.359 1.909 10 0 BDAERO C[C@@H]([NH3+])c1ncsc1Br 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CC1CCC(C[NH2+]C[C@H]2COCCO2)CC1 ZINC000084339328 388076491 /nfs/dbraw/zinc/07/64/91/388076491.db2.gz AVUJICDWPNYMKK-BPCQOVAHSA-N 1 0 227.348 1.818 10 0 BDAERO Cc1c[nH+]ccc1NC[C@H]1CN(C)CCO1 ZINC000085791154 388096087 /nfs/dbraw/zinc/09/60/87/388096087.db2.gz FBAHWGKHOKKRLH-NSHDSACASA-N 1 0 221.304 1.133 10 0 BDAERO COC[C@@H](C)[N@H+](C)Cc1c(C)nn(C)c1C ZINC000195086182 388096842 /nfs/dbraw/zinc/09/68/42/388096842.db2.gz UFLPYGJQYZWJDT-SECBINFHSA-N 1 0 225.336 1.504 10 0 BDAERO Cn1cc([C@H]2COCC[NH2+]2)c2ccccc21 ZINC000071519750 388097435 /nfs/dbraw/zinc/09/74/35/388097435.db2.gz JNAQBUCKZUCMND-GFCCVEGCSA-N 1 0 216.284 1.839 10 0 BDAERO CN1CCC[C@H]1C[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000086189873 388101060 /nfs/dbraw/zinc/10/10/60/388101060.db2.gz QHGZKZGZCUFJBG-NWDGAFQWSA-N 1 0 228.380 1.419 10 0 BDAERO COC[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000646156997 388157715 /nfs/dbraw/zinc/15/77/15/388157715.db2.gz FPOMFNHJKYAOBC-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000521399069 256515114 /nfs/dbraw/zinc/51/51/14/256515114.db2.gz XLKQNJITZONLDY-SKDRFNHKSA-N 1 0 226.320 1.735 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC=CC1 ZINC000151958176 388171535 /nfs/dbraw/zinc/17/15/35/388171535.db2.gz GDASYLUJLLELCK-DGCLKSJQSA-N 1 0 234.343 1.648 10 0 BDAERO CCOC1CC([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000162842544 388253591 /nfs/dbraw/zinc/25/35/91/388253591.db2.gz OVVVROGSLXYFSL-WNYYMSAVSA-N 1 0 213.321 1.711 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000449475669 388214497 /nfs/dbraw/zinc/21/44/97/388214497.db2.gz XQEUVETUOKTQTI-SMDDNHRTSA-N 1 0 247.338 1.967 10 0 BDAERO CO[C@]1(C)C[C@H]1NC1=[NH+][C@@H](C)CS1 ZINC000575521609 388356946 /nfs/dbraw/zinc/35/69/46/388356946.db2.gz BNJHSMFTFUVHNM-LKEWCRSYSA-N 1 0 200.307 1.245 10 0 BDAERO CO[C@]1(C)C[C@@H]1NC1=[NH+][C@H](C)CS1 ZINC000575521608 388357053 /nfs/dbraw/zinc/35/70/53/388357053.db2.gz BNJHSMFTFUVHNM-BKPPORCPSA-N 1 0 200.307 1.245 10 0 BDAERO Cn1ncc(NCC(C)(C)[NH3+])c1Cl ZINC000575521488 388357908 /nfs/dbraw/zinc/35/79/08/388357908.db2.gz XCVBDXXFXBBDHT-UHFFFAOYSA-N 1 0 202.689 1.223 10 0 BDAERO [NH3+][C@H]1CC[C@H](Cn2nncc2Br)C1 ZINC000575523311 388359095 /nfs/dbraw/zinc/35/90/95/388359095.db2.gz JRBFOSLWYKEQMI-BQBZGAKWSA-N 1 0 245.124 1.168 10 0 BDAERO C[C@H]([NH3+])c1ncn(Cc2cccs2)n1 ZINC000162959732 388366513 /nfs/dbraw/zinc/36/65/13/388366513.db2.gz VIGUQSQCOSEHKU-ZETCQYMHSA-N 1 0 208.290 1.408 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1cccnc1 ZINC000237961545 388399408 /nfs/dbraw/zinc/39/94/08/388399408.db2.gz NLYVGPIKYNCMMT-FYJFLYSWSA-N 1 0 231.299 1.045 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000294716768 388403915 /nfs/dbraw/zinc/40/39/15/388403915.db2.gz CHUDNCGHEPDTQX-GXFFZTMASA-N 1 0 248.326 1.131 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000393848316 388443694 /nfs/dbraw/zinc/44/36/94/388443694.db2.gz HZEBHNLNYNZQRK-GARJFASQSA-N 1 0 249.301 1.503 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccn(C)n1 ZINC000393912341 388445657 /nfs/dbraw/zinc/44/56/57/388445657.db2.gz DHHQSXVKVWGKDF-GMTAPVOTSA-N 1 0 223.320 1.638 10 0 BDAERO CCc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)nc1 ZINC000335376793 388450171 /nfs/dbraw/zinc/45/01/71/388450171.db2.gz UZILNMZMGAGTNL-RISCZKNCSA-N 1 0 234.343 1.989 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1CCSCC1 ZINC000335439661 388450837 /nfs/dbraw/zinc/45/08/37/388450837.db2.gz VWRFHUOMPWWFNR-WCBMZHEXSA-N 1 0 228.361 1.078 10 0 BDAERO Cc1c(F)cccc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000335497753 388451127 /nfs/dbraw/zinc/45/11/27/388451127.db2.gz YTXNPYMPRFSOPQ-PELKAZGASA-N 1 0 236.290 1.553 10 0 BDAERO Cc1cncc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000335587964 388451763 /nfs/dbraw/zinc/45/17/63/388451763.db2.gz CUTNFPFWIYIFLT-WCQYABFASA-N 1 0 220.316 1.593 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNC(=O)O2)[C@@H]1C ZINC000309598911 388458972 /nfs/dbraw/zinc/45/89/72/388458972.db2.gz JIZUAFNDASCGMF-ZNSHCXBVSA-N 1 0 226.320 1.509 10 0 BDAERO C[C@@H](CCCC[NH3+])Nc1ncnc2c1cnn2C ZINC000336791599 388471541 /nfs/dbraw/zinc/47/15/41/388471541.db2.gz OCJBRUSNLFPREQ-VIFPVBQESA-N 1 0 248.334 1.293 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000328371079 388413104 /nfs/dbraw/zinc/41/31/04/388413104.db2.gz SDRSFUAJRAXDRK-QWHCGFSZSA-N 1 0 226.364 1.485 10 0 BDAERO [NH3+]CC[S@@](=O)c1ccccc1Cl ZINC000040954700 388430129 /nfs/dbraw/zinc/43/01/29/388430129.db2.gz DWZYEGKNKZGLMC-LBPRGKRZSA-N 1 0 203.694 1.406 10 0 BDAERO C[C@H]1Oc2ccccc2C=C1[C@@H](C[NH3+])N(C)C ZINC000041166614 388432624 /nfs/dbraw/zinc/43/26/24/388432624.db2.gz NEQZSYHZFHWQLS-ZWNOBZJWSA-N 1 0 232.327 1.740 10 0 BDAERO Cc1ccc([C@@H](O)C[NH+]2CCC(O)CC2)c(C)c1 ZINC000070459833 388436754 /nfs/dbraw/zinc/43/67/54/388436754.db2.gz YRVBYFSNJLWHNF-HNNXBMFYSA-N 1 0 249.354 1.794 10 0 BDAERO Cc1c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cnn1C ZINC000336892208 388437413 /nfs/dbraw/zinc/43/74/13/388437413.db2.gz JLMMMRYYGWRVSM-GWCFXTLKSA-N 1 0 237.347 1.369 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccnc2cccnc21 ZINC000341021007 388494165 /nfs/dbraw/zinc/49/41/65/388494165.db2.gz VRGNDWNAXQAHRX-WDEREUQCSA-N 1 0 242.326 1.604 10 0 BDAERO CCC[C@H](C(=O)NCC(C)(C)C)[NH+](C)C ZINC000178653820 388502887 /nfs/dbraw/zinc/50/28/87/388502887.db2.gz AYUKHZHSOQAADZ-SNVBAGLBSA-N 1 0 214.353 1.879 10 0 BDAERO CCC[C@H](C)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344070822 388504714 /nfs/dbraw/zinc/50/47/14/388504714.db2.gz VRLSAXUXUTZPBP-SDDRHHMPSA-N 1 0 215.337 1.504 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cccc(F)c2)C1 ZINC000344154166 388505571 /nfs/dbraw/zinc/50/55/71/388505571.db2.gz VYZCFCZHZBIJSJ-OLZOCXBDSA-N 1 0 239.290 1.407 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CCCC[C@H]2O)[C@@H]2CCO[C@H]21 ZINC000516785275 388518439 /nfs/dbraw/zinc/51/84/39/388518439.db2.gz HPRVCTIXZCOLSP-ZOLYEBIHSA-N 1 0 239.359 1.693 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2conc2C)C1 ZINC000378851044 388523410 /nfs/dbraw/zinc/52/34/10/388523410.db2.gz FMVYJYVXCYWJSW-SKDRFNHKSA-N 1 0 223.320 1.413 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000348187072 388526488 /nfs/dbraw/zinc/52/64/88/388526488.db2.gz GEOBEAKCCJHPKI-KKOKHZNYSA-N 1 0 213.321 1.569 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2[C@H]2CCCC[C@H]2O)cn1 ZINC000245620986 388593459 /nfs/dbraw/zinc/59/34/59/388593459.db2.gz NRHLXIMVEDHILI-MELADBBJSA-N 1 0 249.358 1.861 10 0 BDAERO CCS(=O)(=O)c1ccccc1N[C@H](C)C[NH3+] ZINC000082576266 388617424 /nfs/dbraw/zinc/61/74/24/388617424.db2.gz LECQFSHMEDNVTD-SECBINFHSA-N 1 0 242.344 1.239 10 0 BDAERO COC[C@](C)([NH3+])c1ccc(F)cc1F ZINC000055238531 388597120 /nfs/dbraw/zinc/59/71/20/388597120.db2.gz LZESHIRHQWDMHC-JTQLQIEISA-N 1 0 201.216 1.785 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)[C@@H]2CCCCO2)c1 ZINC000379275101 388604392 /nfs/dbraw/zinc/60/43/92/388604392.db2.gz YWJBHQWZTJVJDQ-OLZOCXBDSA-N 1 0 237.347 1.739 10 0 BDAERO Cc1nnc2n1C[C@@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000361130474 388560049 /nfs/dbraw/zinc/56/00/49/388560049.db2.gz YXHGZQRDGSEBLP-ONGXEEELSA-N 1 0 222.336 1.535 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC(OC(C)C)CC1 ZINC000521068428 388562015 /nfs/dbraw/zinc/56/20/15/388562015.db2.gz YORAOVLYNUWKNN-SNVBAGLBSA-N 1 0 228.336 1.010 10 0 BDAERO [NH3+][C@@H]1C[C@H](NCCn2cncn2)c2ccccc21 ZINC000362976774 388562799 /nfs/dbraw/zinc/56/27/99/388562799.db2.gz LSAVYUVTZCILDA-OLZOCXBDSA-N 1 0 243.314 1.013 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCc2nccn2C1)C1CC1 ZINC000364374068 388564087 /nfs/dbraw/zinc/56/40/87/388564087.db2.gz IYJXVTFYZMNGJV-KOLCDFICSA-N 1 0 205.305 1.586 10 0 BDAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2C[C@H]2C)C1 ZINC000247477579 388665443 /nfs/dbraw/zinc/66/54/43/388665443.db2.gz UCAYMKVRVLFOGU-UTUOFQBUSA-N 1 0 239.363 1.521 10 0 BDAERO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)[C@@H]1CCCO1 ZINC000225100453 388675718 /nfs/dbraw/zinc/67/57/18/388675718.db2.gz VLNZNZBWMOZIBM-BNOWGMLFSA-N 1 0 235.327 1.877 10 0 BDAERO CCCCOC(=O)N1CCC(C)([NH3+])CC1 ZINC000002529804 388683907 /nfs/dbraw/zinc/68/39/07/388683907.db2.gz JETDPXXDGSMHKW-UHFFFAOYSA-N 1 0 214.309 1.736 10 0 BDAERO CC(C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246143989 388620694 /nfs/dbraw/zinc/62/06/94/388620694.db2.gz BLJJBPROLHWLLE-WDEREUQCSA-N 1 0 227.352 1.423 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)OCC2CC2)C1 ZINC000189420293 388633028 /nfs/dbraw/zinc/63/30/28/388633028.db2.gz DGICGZVAVTZOKN-LLVKDONJSA-N 1 0 226.320 1.607 10 0 BDAERO [NH3+]CCn1cc(-c2ccc3c(c2)CCOC3)cn1 ZINC000530250387 388640503 /nfs/dbraw/zinc/64/05/03/388640503.db2.gz PUTVEADTCYUIDT-UHFFFAOYSA-N 1 0 243.310 1.582 10 0 BDAERO CCCc1nsc(N(C)CCC[NH3+])n1 ZINC000083651087 388645482 /nfs/dbraw/zinc/64/54/82/388645482.db2.gz KBQHSIMBTOSXAT-UHFFFAOYSA-N 1 0 214.338 1.276 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccn2C)C1 ZINC000247468367 388664291 /nfs/dbraw/zinc/66/42/91/388664291.db2.gz VAHODWHMMVNMTA-NWDGAFQWSA-N 1 0 249.358 1.484 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227055906 388738802 /nfs/dbraw/zinc/73/88/02/388738802.db2.gz VQBGTGLYNPJJGM-MNOVXSKESA-N 1 0 226.320 1.748 10 0 BDAERO O=C(c1cccs1)[C@H]1C[NH2+]CCS1 ZINC000575451854 388746583 /nfs/dbraw/zinc/74/65/83/388746583.db2.gz OLOAAXPFRGRDHN-MRVPVSSYSA-N 1 0 213.327 1.636 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000248657660 388687982 /nfs/dbraw/zinc/68/79/82/388687982.db2.gz SSSDIPMPPZASLW-FRRDWIJNSA-N 1 0 245.363 1.273 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC000248642430 388688364 /nfs/dbraw/zinc/68/83/64/388688364.db2.gz DGLPEQFYHPBIBW-CHWSQXEVSA-N 1 0 245.363 1.132 10 0 BDAERO CC(C)OC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000127318948 388720737 /nfs/dbraw/zinc/72/07/37/388720737.db2.gz GSXFDUFOWJTYNL-SNVBAGLBSA-N 1 0 214.309 1.557 10 0 BDAERO C[C@@H]([NH3+])[C@](C)(O)c1cccnc1Br ZINC000575449373 388730087 /nfs/dbraw/zinc/73/00/87/388730087.db2.gz QQFFLMILGRUTFF-MUWHJKNJSA-N 1 0 245.120 1.399 10 0 BDAERO [NH3+]CCCNc1nc(C(F)(F)F)ns1 ZINC000228770983 388773081 /nfs/dbraw/zinc/77/30/81/388773081.db2.gz HOWVHSXFDLAJOO-UHFFFAOYSA-N 1 0 226.227 1.318 10 0 BDAERO O[C@@H](c1scnc1Br)C1C[NH2+]C1 ZINC000575456055 388784440 /nfs/dbraw/zinc/78/44/40/388784440.db2.gz YZVBBVGTFHHZFQ-RXMQYKEDSA-N 1 0 249.133 1.158 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@@H]1CCOC1 ZINC000129149635 388820433 /nfs/dbraw/zinc/82/04/33/388820433.db2.gz IBLIJRFMUCVKRN-YFKTTZPYSA-N 1 0 213.321 1.162 10 0 BDAERO [NH3+][C@H](c1cncs1)[C@@H]1CSCCO1 ZINC000575463797 388830767 /nfs/dbraw/zinc/83/07/67/388830767.db2.gz DOIOSMCHPRADQS-XPUUQOCRSA-N 1 0 216.331 1.275 10 0 BDAERO CC1(C)OCC[C@@]1([NH3+])[C@H]1CCSC1 ZINC000575464325 388831276 /nfs/dbraw/zinc/83/12/76/388831276.db2.gz JZVYAYCENCMVBN-WCBMZHEXSA-N 1 0 201.335 1.636 10 0 BDAERO CC1CC(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000564796907 388890375 /nfs/dbraw/zinc/89/03/75/388890375.db2.gz JURZKPMKOFTJAZ-GDKBPFBDSA-N 1 0 232.327 1.849 10 0 BDAERO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000565533643 388951454 /nfs/dbraw/zinc/95/14/54/388951454.db2.gz GDGRKGJZHOESNI-XQQFMLRXSA-N 1 0 228.380 1.371 10 0 BDAERO C[C@@H]1C[C@@]2(CC[NH2+]1)NCC[C@@H](C)S2 ZINC000575512591 389011252 /nfs/dbraw/zinc/01/12/52/389011252.db2.gz RCFVRQYTEYCYGZ-BBBLOLIVSA-N 1 0 200.351 1.570 10 0 BDAERO C1C[C@H](O[C@@H]2CCC[NH2+]CC2)CS1 ZINC000575513319 389018109 /nfs/dbraw/zinc/01/81/09/389018109.db2.gz QVDRVSYEYHKNQB-ZJUUUORDSA-N 1 0 201.335 1.651 10 0 BDAERO C[C@H]([NH2+]CC(=O)N1CCC1)c1cccs1 ZINC000273298612 389039500 /nfs/dbraw/zinc/03/95/00/389039500.db2.gz NQCACUDCECMCIA-VIFPVBQESA-N 1 0 224.329 1.631 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ccccc1Br ZINC000575514960 389044256 /nfs/dbraw/zinc/04/42/56/389044256.db2.gz NKKHQYQUEAQLFX-MRVPVSSYSA-N 1 0 241.132 1.987 10 0 BDAERO C[C@@H]([NH3+])Cc1ccnc(N2CCCCC2)n1 ZINC000054834481 132365193 /nfs/dbraw/zinc/36/51/93/132365193.db2.gz IBTHGQXEGRWCPS-SNVBAGLBSA-N 1 0 220.320 1.357 10 0 BDAERO Cc1nc([C@@H](C)[NH2+]CC2CC(O)C2)cs1 ZINC000084445963 322835317 /nfs/dbraw/zinc/83/53/17/322835317.db2.gz DKNVYRKGBCOPJT-CUUXFQNZSA-N 1 0 226.345 1.873 10 0 BDAERO Cc1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000268283578 132191890 /nfs/dbraw/zinc/19/18/90/132191890.db2.gz BSZXCSGILALZGC-GFCCVEGCSA-N 1 0 217.316 1.674 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(F)cn1 ZINC000269467019 132194460 /nfs/dbraw/zinc/19/44/60/132194460.db2.gz IGMNKNGMKKLGRH-KOLCDFICSA-N 1 0 236.294 1.289 10 0 BDAERO [NH3+]CC1CCN(c2ncccc2Cl)CC1 ZINC000044514712 132225028 /nfs/dbraw/zinc/22/50/28/132225028.db2.gz SQVYMEPYBSQWKK-UHFFFAOYSA-N 1 0 225.723 1.910 10 0 BDAERO Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ncn1 ZINC000301233647 132252245 /nfs/dbraw/zinc/25/22/45/132252245.db2.gz KPNSACMISYFQBK-GFCCVEGCSA-N 1 0 232.331 1.460 10 0 BDAERO CC[C@@H](O)C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000124476106 132297618 /nfs/dbraw/zinc/29/76/18/132297618.db2.gz CQDTWRNJMBGZMT-PWSUYJOCSA-N 1 0 248.326 1.455 10 0 BDAERO CC(C)c1nc2c(c(N3CC[NH2+]CC3)n1)CCC2 ZINC000057328714 132300953 /nfs/dbraw/zinc/30/09/53/132300953.db2.gz VQYLTZYOPSBPJQ-UHFFFAOYSA-N 1 0 246.358 1.498 10 0 BDAERO Clc1cncc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000252666751 132303913 /nfs/dbraw/zinc/30/39/13/132303913.db2.gz BQYGBPJBYWKISE-VIFPVBQESA-N 1 0 238.722 1.414 10 0 BDAERO Cc1cc2occc2c(N2CC[NH2+]CC2)n1 ZINC000031425065 132312019 /nfs/dbraw/zinc/31/20/19/132312019.db2.gz AZFBLAIWASUAIF-UHFFFAOYSA-N 1 0 217.272 1.546 10 0 BDAERO [NH3+]Cc1ccccc1N1CCCCC1=O ZINC000019415118 132324525 /nfs/dbraw/zinc/32/45/25/132324525.db2.gz GKUBGWWSTUQPNR-UHFFFAOYSA-N 1 0 204.273 1.662 10 0 BDAERO C[C@@H]1CCCCN1c1cc(C(N)=[NH2+])ccn1 ZINC000019473187 132325183 /nfs/dbraw/zinc/32/51/83/132325183.db2.gz HSDDMXJVMJJBQZ-SECBINFHSA-N 1 0 218.304 1.744 10 0 BDAERO [NH3+]Cc1ccccc1N1CCSCC1 ZINC000020469777 132331798 /nfs/dbraw/zinc/33/17/98/132331798.db2.gz RQAPFQQZZOQLDU-UHFFFAOYSA-N 1 0 208.330 1.699 10 0 BDAERO [NH3+]C[C@@H]([C@@H]1CCOC1)N1CCCc2ccccc21 ZINC000022166189 132332338 /nfs/dbraw/zinc/33/23/38/132332338.db2.gz XLKJSFAHHDNIAN-HIFRSBDPSA-N 1 0 246.354 1.803 10 0 BDAERO [NH3+]Cc1ccnc(N2CCCC[C@H]2CCO)c1 ZINC000022162438 132332377 /nfs/dbraw/zinc/33/23/77/132332377.db2.gz XJZLLSOYCPMDDS-LBPRGKRZSA-N 1 0 235.331 1.282 10 0 BDAERO C[C@H]1C[C@H](C)CN(c2cc(C(N)=[NH2+])ccn2)C1 ZINC000034689292 132336756 /nfs/dbraw/zinc/33/67/56/132336756.db2.gz GUTIOCNTXVOLOM-UWVGGRQHSA-N 1 0 232.331 1.848 10 0 BDAERO CC[C@H](C)[NH+]1CCN(c2ccc(N)cn2)CC1 ZINC000035367904 132338320 /nfs/dbraw/zinc/33/83/20/132338320.db2.gz PZRANVUOLJSASO-NSHDSACASA-N 1 0 234.347 1.584 10 0 BDAERO CC[C@@H]1CCCN(c2cc(C(N)=[NH2+])ccn2)C1 ZINC000036169776 132340280 /nfs/dbraw/zinc/34/02/80/132340280.db2.gz KGGSSMZSBNPBLS-SNVBAGLBSA-N 1 0 232.331 1.992 10 0 BDAERO CC(C)[NH+]1CCN(c2ccccc2CO)CC1 ZINC000036190439 132340474 /nfs/dbraw/zinc/34/04/74/132340474.db2.gz HBUYAVRCMUSKMV-UHFFFAOYSA-N 1 0 234.343 1.709 10 0 BDAERO C[NH+](C)C1CCN(c2ncccc2N)CC1 ZINC000036191136 132340760 /nfs/dbraw/zinc/34/07/60/132340760.db2.gz BBLKJOXREUFYFK-UHFFFAOYSA-N 1 0 220.320 1.194 10 0 BDAERO CC[NH+]1CCN(c2ccc(N)c(C)n2)CC1 ZINC000036250974 132341683 /nfs/dbraw/zinc/34/16/83/132341683.db2.gz LEVKYEOUZYPNGF-UHFFFAOYSA-N 1 0 220.320 1.114 10 0 BDAERO CC[C@H]1CO[C@@H](C)CN1c1cc(C[NH3+])ccn1 ZINC000036794449 132342761 /nfs/dbraw/zinc/34/27/61/132342761.db2.gz KMRNVZIJAXPXQG-JQWIXIFHSA-N 1 0 235.331 1.544 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040431799 132347616 /nfs/dbraw/zinc/34/76/16/132347616.db2.gz WYYOYWWJTSGFQN-GJZGRUSLSA-N 1 0 245.370 1.688 10 0 BDAERO C[C@H]1CCc2ccccc2N1C(=O)C[NH3+] ZINC000042228364 132350811 /nfs/dbraw/zinc/35/08/11/132350811.db2.gz YUDXOCFJNRFGNC-VIFPVBQESA-N 1 0 204.273 1.313 10 0 BDAERO CCO[C@@H]1CCCN(c2ncccc2C(N)=[NH2+])C1 ZINC000042422630 132351779 /nfs/dbraw/zinc/35/17/79/132351779.db2.gz SHJZWNDPLPTLDJ-SNVBAGLBSA-N 1 0 248.330 1.371 10 0 BDAERO Cc1cc2ncnn2c(N2CCC[C@H](C[NH3+])C2)c1 ZINC000044532092 132354346 /nfs/dbraw/zinc/35/43/46/132354346.db2.gz UUKKGFHZOREGRU-LLVKDONJSA-N 1 0 245.330 1.213 10 0 BDAERO C[C@@H]1CN(c2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000049711466 132357724 /nfs/dbraw/zinc/35/77/24/132357724.db2.gz SLRBXXNMTHTMFF-RISCZKNCSA-N 1 0 233.359 1.926 10 0 BDAERO CC[C@@H]1CN(c2ccnc(C[NH3+])c2)CCO1 ZINC000051396887 132360323 /nfs/dbraw/zinc/36/03/23/132360323.db2.gz VMIIWGQQBNIOGB-GFCCVEGCSA-N 1 0 221.304 1.156 10 0 BDAERO C[C@@H]1COCCN1c1ccc(Cl)c(C[NH3+])n1 ZINC000051396847 132360519 /nfs/dbraw/zinc/36/05/19/132360519.db2.gz UYZMKANOJBDFKL-MRVPVSSYSA-N 1 0 241.722 1.419 10 0 BDAERO CC[NH2+]Cc1ccnc(N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000051399716 132360656 /nfs/dbraw/zinc/36/06/56/132360656.db2.gz AEDRQNDTUGHVFE-RYUDHWBXSA-N 1 0 249.358 1.805 10 0 BDAERO C[NH2+]Cc1cccc(N2C[C@H](C)OC(C)(C)C2)n1 ZINC000051488356 132361408 /nfs/dbraw/zinc/36/14/08/132361408.db2.gz FBRHQUOKJDBCGF-NSHDSACASA-N 1 0 249.358 1.805 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1cnccn1 ZINC000053706560 132363310 /nfs/dbraw/zinc/36/33/10/132363310.db2.gz UGTQDUDVDYUNQY-SNVBAGLBSA-N 1 0 206.293 1.055 10 0 BDAERO COc1ccc(OC)c(N2CC[NH2+][C@@H](C)C2)c1 ZINC000055234218 132365245 /nfs/dbraw/zinc/36/52/45/132365245.db2.gz NBTLXPWTHXUPAC-JTQLQIEISA-N 1 0 236.315 1.502 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2ncc(C)cn2)C1 ZINC000063049319 132388634 /nfs/dbraw/zinc/38/86/34/132388634.db2.gz VBCBJBSEPKOHQW-GFCCVEGCSA-N 1 0 234.347 1.611 10 0 BDAERO [NH3+]Cc1ccc(Cl)cc1N1CCOCC1 ZINC000062786715 132388821 /nfs/dbraw/zinc/38/88/21/132388821.db2.gz COVKRRXVEMHHKW-UHFFFAOYSA-N 1 0 226.707 1.635 10 0 BDAERO C[NH2+]CC1CCN(c2ccc(Cl)nn2)CC1 ZINC000063166387 132389589 /nfs/dbraw/zinc/38/95/89/132389589.db2.gz FDQZDRPQDBWPRI-UHFFFAOYSA-N 1 0 240.738 1.566 10 0 BDAERO CCc1cc(N2CCCC[C@@H]2[C@@H](C)[NH3+])ncn1 ZINC000063196444 132389644 /nfs/dbraw/zinc/38/96/44/132389644.db2.gz UYQGYLBOZJGHIB-ZYHUDNBSSA-N 1 0 234.347 1.745 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000083888640 133564227 /nfs/dbraw/zinc/56/42/27/133564227.db2.gz MPWPQXNWRPXALS-VIFPVBQESA-N 1 0 239.344 1.069 10 0 BDAERO OC[C@@H]1C[N@@H+](C2CCC2)CCC1(F)F ZINC000336031931 134058726 /nfs/dbraw/zinc/05/87/26/134058726.db2.gz PTPMKQXHHWGOSD-QMMMGPOBSA-N 1 0 205.248 1.488 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)[C@@H]1OC ZINC000169187605 134249737 /nfs/dbraw/zinc/24/97/37/134249737.db2.gz CERHSISGLLTEIP-MXWKQRLJSA-N 1 0 215.337 1.815 10 0 BDAERO [NH3+][C@H]1C[C@@H](NCCCO)c2ccccc21 ZINC000169235026 134250213 /nfs/dbraw/zinc/25/02/13/134250213.db2.gz YIZGIYGJSUUBQV-NWDGAFQWSA-N 1 0 206.289 1.103 10 0 BDAERO COc1cc(Cl)ccc1C(=O)NC1C[NH2+]C1 ZINC000085255674 134261719 /nfs/dbraw/zinc/26/17/19/134261719.db2.gz CTKIWTSSXSTSES-UHFFFAOYSA-N 1 0 240.690 1.050 10 0 BDAERO Cc1ccc(C)c(C(=O)N(C)C2C[NH2+]C2)c1 ZINC000085257576 134268921 /nfs/dbraw/zinc/26/89/21/134268921.db2.gz VUGXRBXVMVSVRW-UHFFFAOYSA-N 1 0 218.300 1.347 10 0 BDAERO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)COC)C1 ZINC000174146109 134279019 /nfs/dbraw/zinc/27/90/19/134279019.db2.gz JFSGKWDQFXAHQX-RYUDHWBXSA-N 1 0 242.363 1.212 10 0 BDAERO O=C([C@@H]1C[C@@H]1C1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000176926837 134294996 /nfs/dbraw/zinc/29/49/96/134294996.db2.gz IHOIBCKRVIBQSQ-BFHYXJOUSA-N 1 0 248.370 1.729 10 0 BDAERO CCCCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177231548 134296012 /nfs/dbraw/zinc/29/60/12/134296012.db2.gz ZUBOVYNUONLCJT-ZIAGYGMSSA-N 1 0 240.391 1.829 10 0 BDAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccno1)CC2 ZINC000220385202 134306156 /nfs/dbraw/zinc/30/61/56/134306156.db2.gz GAFNKUOXGOSGRW-WCQYABFASA-N 1 0 236.315 1.802 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NCC[C@@H](C)[NH3+] ZINC000178701527 134313226 /nfs/dbraw/zinc/31/32/26/134313226.db2.gz IXBATXPLWVVLPL-VHSXEESVSA-N 1 0 200.326 1.522 10 0 BDAERO C[C@@H](c1cnccn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000184487522 134364701 /nfs/dbraw/zinc/36/47/01/134364701.db2.gz OTWARQZPAVOKOD-LBPRGKRZSA-N 1 0 246.358 1.708 10 0 BDAERO CC(C)OCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226640229 134368479 /nfs/dbraw/zinc/36/84/79/134368479.db2.gz GAMKACLTZDFGQZ-RYUDHWBXSA-N 1 0 240.347 1.107 10 0 BDAERO CC(C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226639976 134368682 /nfs/dbraw/zinc/36/86/82/134368682.db2.gz HMLYSYPAKWTXKP-QWRGUYRKSA-N 1 0 210.321 1.338 10 0 BDAERO CO[C@@H](C[NH3+])C(=O)Nc1cccc2ncccc21 ZINC000227342917 134377877 /nfs/dbraw/zinc/37/78/77/134377877.db2.gz GQDQJJFDMNBWEY-LBPRGKRZSA-N 1 0 245.282 1.147 10 0 BDAERO CC(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185304730 134379962 /nfs/dbraw/zinc/37/99/62/134379962.db2.gz SUXGMNQBQVQJNY-SDDRHHMPSA-N 1 0 224.348 1.441 10 0 BDAERO Cn1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000227696923 134384448 /nfs/dbraw/zinc/38/44/48/134384448.db2.gz XIMPKWDWSKPYAZ-CYBMUJFWSA-N 1 0 235.331 1.174 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000228087286 134403307 /nfs/dbraw/zinc/40/33/07/134403307.db2.gz LYJKNQLYKCZZIG-UPJWGTAASA-N 1 0 245.363 1.321 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2ccoc2)CC[NH2+]1 ZINC000189006089 134539699 /nfs/dbraw/zinc/53/96/99/134539699.db2.gz RVVLXFMTFPKCPY-SNVBAGLBSA-N 1 0 222.288 1.033 10 0 BDAERO Cc1nccc(CNCC2([NH+](C)C)CCCC2)n1 ZINC000132065596 134639803 /nfs/dbraw/zinc/63/98/03/134639803.db2.gz SRTKHGRHMBRELL-UHFFFAOYSA-N 1 0 248.374 1.749 10 0 BDAERO CCSCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000053616355 134744898 /nfs/dbraw/zinc/74/48/98/134744898.db2.gz QEYORSAREXZKMG-ZJUUUORDSA-N 1 0 203.351 1.897 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 ZINC000053701775 134748564 /nfs/dbraw/zinc/74/85/64/134748564.db2.gz MNTIVXIRGHCANZ-LBPRGKRZSA-N 1 0 234.347 1.691 10 0 BDAERO C[C@H](C[NH3+])C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000054339907 134760372 /nfs/dbraw/zinc/76/03/72/134760372.db2.gz CKKMWWRFNIGANF-SECBINFHSA-N 1 0 244.298 1.610 10 0 BDAERO CO[C@@H](C)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000248416830 135008441 /nfs/dbraw/zinc/00/84/41/135008441.db2.gz JBBBEMHIJPLLQH-WDEREUQCSA-N 1 0 223.320 1.244 10 0 BDAERO Nc1ccccc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248591991 135015692 /nfs/dbraw/zinc/01/56/92/135015692.db2.gz HHLREJIUTDHMHX-GAFUQQFSSA-N 1 0 245.326 1.078 10 0 BDAERO CO[C@@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249727415 135044725 /nfs/dbraw/zinc/04/47/25/135044725.db2.gz RMMCEKNNPOMFSU-RYUDHWBXSA-N 1 0 240.347 1.108 10 0 BDAERO CS[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249840011 135045878 /nfs/dbraw/zinc/04/58/78/135045878.db2.gz VYFSNKVEVVTERI-UWVGGRQHSA-N 1 0 228.361 1.045 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1ncncc1Cl ZINC000163686373 135046039 /nfs/dbraw/zinc/04/60/39/135046039.db2.gz LYTFREXZWQKKPE-MRVPVSSYSA-N 1 0 214.700 1.525 10 0 BDAERO COC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250362670 135052830 /nfs/dbraw/zinc/05/28/30/135052830.db2.gz GINWBHRRFNLUQG-WCQYABFASA-N 1 0 241.331 1.177 10 0 BDAERO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1O ZINC000250449364 135055039 /nfs/dbraw/zinc/05/50/39/135055039.db2.gz FKJDGEGNZDEKBX-ZDEQEGDKSA-N 1 0 227.348 1.837 10 0 BDAERO CCC[C@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000251124091 135064443 /nfs/dbraw/zinc/06/44/43/135064443.db2.gz IOTWHEMYPCPPGM-MJBXVCDLSA-N 1 0 240.391 1.706 10 0 BDAERO CCC[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000251174042 135065419 /nfs/dbraw/zinc/06/54/19/135065419.db2.gz QGUIUSFDHDKMGL-XQQFMLRXSA-N 1 0 227.348 1.791 10 0 BDAERO COC(=O)[C@@H](C)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000251642291 135073439 /nfs/dbraw/zinc/07/34/39/135073439.db2.gz JGCZFDGNMJDCSK-UWVGGRQHSA-N 1 0 229.320 1.295 10 0 BDAERO CC[C@H](C)CN(CC)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000251861147 135080466 /nfs/dbraw/zinc/08/04/66/135080466.db2.gz OKMJPOSKRVVRSF-TUAOUCFPSA-N 1 0 226.364 1.737 10 0 BDAERO CC[C@H]1CN(C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000247075773 135085397 /nfs/dbraw/zinc/08/53/97/135085397.db2.gz GRXHJYAUSYIMIM-RYUDHWBXSA-N 1 0 214.353 1.172 10 0 BDAERO CC(C)C[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247023087 135085739 /nfs/dbraw/zinc/08/57/39/135085739.db2.gz CWJRQPPASBBUNG-RYUDHWBXSA-N 1 0 214.353 1.029 10 0 BDAERO Cc1c(C[NH2+]CCC[C@H]2CCOC2)cnn1C ZINC000351409941 135086200 /nfs/dbraw/zinc/08/62/00/135086200.db2.gz IYGFLYHJCJGJNL-LBPRGKRZSA-N 1 0 237.347 1.635 10 0 BDAERO CCOCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248371024 135087579 /nfs/dbraw/zinc/08/75/79/135087579.db2.gz YFESIEGIGHLBMJ-LBPRGKRZSA-N 1 0 212.337 1.193 10 0 BDAERO CCCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252660959 135094398 /nfs/dbraw/zinc/09/43/98/135094398.db2.gz FNSHIIFNVQNSHW-VXGBXAGGSA-N 1 0 224.348 1.872 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)C ZINC000252674549 135095243 /nfs/dbraw/zinc/09/52/43/135095243.db2.gz RYPGPJNUBGAOSU-MNOVXSKESA-N 1 0 224.348 1.728 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)C ZINC000252674550 135095538 /nfs/dbraw/zinc/09/55/38/135095538.db2.gz RYPGPJNUBGAOSU-QWRGUYRKSA-N 1 0 224.348 1.728 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCCOC1 ZINC000252692993 135096539 /nfs/dbraw/zinc/09/65/39/135096539.db2.gz FNBATPHREOAVJK-MCIONIFRSA-N 1 0 238.375 1.582 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2CS[C@@H](C)C2)n1 ZINC000086935396 135102748 /nfs/dbraw/zinc/10/27/48/135102748.db2.gz PAZSROIUTVSUOK-GZMMTYOYSA-N 1 0 223.345 1.769 10 0 BDAERO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000252770335 135108087 /nfs/dbraw/zinc/10/80/87/135108087.db2.gz KYAUGUVKBDFAHL-ROHXPCBUSA-N 1 0 239.359 1.549 10 0 BDAERO c1ccc2c(c1)OC[C@H]2C[NH2+]C1COC1 ZINC000087195430 135110881 /nfs/dbraw/zinc/11/08/81/135110881.db2.gz YARYVJPDGBGGNE-SECBINFHSA-N 1 0 205.257 1.151 10 0 BDAERO C1OCC1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000087195423 135111313 /nfs/dbraw/zinc/11/13/13/135111313.db2.gz UNKPRHFKOAXIIF-SNVBAGLBSA-N 1 0 211.305 1.467 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]C2COC2)C12CCCC2 ZINC000087194636 135111458 /nfs/dbraw/zinc/11/14/58/135111458.db2.gz SETZRKJUISFCBD-NEPJUHHUSA-N 1 0 225.332 1.713 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]C2COC2)C12CCCC2 ZINC000087194633 135111468 /nfs/dbraw/zinc/11/14/68/135111468.db2.gz SETZRKJUISFCBD-NWDGAFQWSA-N 1 0 225.332 1.713 10 0 BDAERO CCONC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000253187883 135123750 /nfs/dbraw/zinc/12/37/50/135123750.db2.gz CYUYMPQCYFSUJE-MNOVXSKESA-N 1 0 241.335 1.206 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C[C@H]1CCCN(C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000087655056 135161863 /nfs/dbraw/zinc/16/18/63/135161863.db2.gz NFXYMIWVMBCHAM-QWRGUYRKSA-N 1 0 225.336 1.037 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1cc(OC)ncn1 ZINC000087780167 135168504 /nfs/dbraw/zinc/16/85/04/135168504.db2.gz OLIQDCLLWAHJCO-SECBINFHSA-N 1 0 224.308 1.415 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1Cc1cncc(F)c1 ZINC000261535678 135170172 /nfs/dbraw/zinc/17/01/72/135170172.db2.gz PAPMBYPNWYVDDJ-GZMMTYOYSA-N 1 0 209.268 1.142 10 0 BDAERO CC[C@@H]([NH3+])CNc1nc(OC)ncc1Cl ZINC000087799192 135173002 /nfs/dbraw/zinc/17/30/02/135173002.db2.gz FMSAVFUZIVXQEG-ZCFIWIBFSA-N 1 0 230.699 1.288 10 0 BDAERO O[C@H]1C[NH2+]C[C@H]1CNCc1sccc1Cl ZINC000261539236 135178010 /nfs/dbraw/zinc/17/80/10/135178010.db2.gz BWXDUPABKDANRM-CBAPKCEASA-N 1 0 246.763 1.071 10 0 BDAERO Cc1cc(C)nc(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261541201 135180875 /nfs/dbraw/zinc/18/08/75/135180875.db2.gz AVTJDYSCVZKICU-LLVKDONJSA-N 1 0 234.347 1.657 10 0 BDAERO Cc1cc(C)nc(N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000261541671 135182095 /nfs/dbraw/zinc/18/20/95/135182095.db2.gz LUWHVUXAGFBEEE-CABZTGNLSA-N 1 0 234.347 1.657 10 0 BDAERO C[C@H]1CCN(Cc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000261544446 135185419 /nfs/dbraw/zinc/18/54/19/135185419.db2.gz YDZSYFWUFORZKW-AAEUAGOBSA-N 1 0 234.343 1.951 10 0 BDAERO Cc1cnc(C)c(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261545125 135186521 /nfs/dbraw/zinc/18/65/21/135186521.db2.gz FPCKPCSGAFLOBF-LLVKDONJSA-N 1 0 234.347 1.657 10 0 BDAERO CSc1ccc(C(=O)N(C)C2C[NH2+]C2)o1 ZINC000261550866 135189941 /nfs/dbraw/zinc/18/99/41/135189941.db2.gz PUDKYNUNPJIUEP-UHFFFAOYSA-N 1 0 226.301 1.045 10 0 BDAERO CC1(C)CN(C(=O)C[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000261551252 135190262 /nfs/dbraw/zinc/19/02/62/135190262.db2.gz LXRJTQMNGJUXED-WDEREUQCSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1cc(CN2CC[C@@H]([NH3+])C(C)(C)C2)on1 ZINC000261561483 135202826 /nfs/dbraw/zinc/20/28/26/135202826.db2.gz AOZDOMRQVSTYEV-LLVKDONJSA-N 1 0 223.320 1.542 10 0 BDAERO 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CC(C)C[C@H](C[NH+](C)C)NC(=O)NC(C)C ZINC000079011440 135266078 /nfs/dbraw/zinc/26/60/78/135266078.db2.gz YYWCKPLCYUZRTL-LLVKDONJSA-N 1 0 229.368 1.670 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC1CC1 ZINC000079094152 135281416 /nfs/dbraw/zinc/28/14/16/135281416.db2.gz LCNDIQSFOZMOEC-GFCCVEGCSA-N 1 0 241.379 1.672 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262239592 135287568 /nfs/dbraw/zinc/28/75/68/135287568.db2.gz RIKOBQPXMJUIDL-MPPDQPJWSA-N 1 0 222.332 1.291 10 0 BDAERO CCCC1(CNC(=O)[C@@H](C)C2C[NH2+]C2)CCC1 ZINC000262303561 135292202 /nfs/dbraw/zinc/29/22/02/135292202.db2.gz BWWKPIILVIXONV-NSHDSACASA-N 1 0 238.375 1.929 10 0 BDAERO CC(C)[C@@H]1CCCCN1C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262597829 135308173 /nfs/dbraw/zinc/30/81/73/135308173.db2.gz XHDCILWVJFJVAQ-AAEUAGOBSA-N 1 0 238.375 1.879 10 0 BDAERO Cc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)o1 ZINC000263240707 135342120 /nfs/dbraw/zinc/34/21/20/135342120.db2.gz ONVDTOHAKAZAME-VIFPVBQESA-N 1 0 248.286 1.214 10 0 BDAERO C[C@@H](NC(=O)C1C[NH2+]C1)[C@H](C)c1ccccc1 ZINC000263337153 135347601 /nfs/dbraw/zinc/34/76/01/135347601.db2.gz WOKSVFSDSUXEHJ-WDEREUQCSA-N 1 0 232.327 1.514 10 0 BDAERO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@H](C)OC ZINC000299899590 135380968 /nfs/dbraw/zinc/38/09/68/135380968.db2.gz APSZPTHSFVAQGW-MJBXVCDLSA-N 1 0 240.391 1.970 10 0 BDAERO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000164509535 135385872 /nfs/dbraw/zinc/38/58/72/135385872.db2.gz UUXROHPILURNEJ-CIZKAMKNSA-N 1 0 245.388 1.157 10 0 BDAERO Cc1cnoc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000081328648 135386200 /nfs/dbraw/zinc/38/62/00/135386200.db2.gz TXGQYUUHLKFLMJ-NSHDSACASA-N 1 0 249.314 1.293 10 0 BDAERO CC1(C)CCC([NH2+][C@@]2(CO)CCOC2)CC1 ZINC000335144729 135408731 /nfs/dbraw/zinc/40/87/31/135408731.db2.gz QWMBNSVVBXNRKX-CYBMUJFWSA-N 1 0 227.348 1.696 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000082921244 135442308 /nfs/dbraw/zinc/44/23/08/135442308.db2.gz CFRQOIIKTOSBJI-GHMZBOCLSA-N 1 0 220.272 1.458 10 0 BDAERO [NH3+]CC1CCN(c2nc(C3CC3)ns2)CC1 ZINC000083651308 135453426 /nfs/dbraw/zinc/45/34/26/135453426.db2.gz LBRHEJMDDJAKIP-UHFFFAOYSA-N 1 0 238.360 1.591 10 0 BDAERO COc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085355130 135482347 /nfs/dbraw/zinc/48/23/47/135482347.db2.gz YXLIVTSPHQJKSP-VXGBXAGGSA-N 1 0 234.299 1.761 10 0 BDAERO Cc1cccc(CNC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085365243 135482760 /nfs/dbraw/zinc/48/27/60/135482760.db2.gz BXPOMCKEGIZCCR-QWHCGFSZSA-N 1 0 232.327 1.739 10 0 BDAERO Cc1ccc(O)c(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000091496256 135562300 /nfs/dbraw/zinc/56/23/00/135562300.db2.gz PBUSLWIKGHZSLH-ZYHUDNBSSA-N 1 0 248.326 1.571 10 0 BDAERO CC1CCC(C[NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000091667403 135564285 /nfs/dbraw/zinc/56/42/85/135564285.db2.gz ZRTKCTJRMIYBHR-JXQTWKCFSA-N 1 0 240.391 1.733 10 0 BDAERO OC[C@]1([NH2+]C2CC3(C2)CCCCC3)CCOC1 ZINC000334981052 135856981 /nfs/dbraw/zinc/85/69/81/135856981.db2.gz CIRTWKUGRPATFF-CQSZACIVSA-N 1 0 239.359 1.840 10 0 BDAERO C[C@H](C(=O)N1CCCCC(C)(C)C1)C1C[NH2+]C1 ZINC000335002238 135863138 /nfs/dbraw/zinc/86/31/38/135863138.db2.gz MBDPYHXYOMUQQU-NSHDSACASA-N 1 0 238.375 1.881 10 0 BDAERO FC1(F)CCC[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000335035752 135870247 /nfs/dbraw/zinc/87/02/47/135870247.db2.gz YPWLDECCPYKRAI-RKDXNWHRSA-N 1 0 204.264 1.516 10 0 BDAERO CCN(C(=O)[C@H]1CCC[NH2+][C@H]1C)C1CCC1 ZINC000335054981 135874953 /nfs/dbraw/zinc/87/49/53/135874953.db2.gz PKGMARBJRUTLBI-JQWIXIFHSA-N 1 0 224.348 1.776 10 0 BDAERO O=S1(=O)CCC[C@@H](CN2CCC[C@H]2CF)C1 ZINC000335367572 136081881 /nfs/dbraw/zinc/08/18/81/136081881.db2.gz FIQUBLOGLXLBLZ-QWRGUYRKSA-N 1 0 249.351 1.245 10 0 BDAERO CCC1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335401029 136094115 /nfs/dbraw/zinc/09/41/15/136094115.db2.gz VDLIPWXIMABRQW-WSVSKBAQSA-N 1 0 224.348 1.809 10 0 BDAERO CCOCCN1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105914621 397785934 /nfs/dbraw/zinc/78/59/34/397785934.db2.gz NNVHGTDRDKPTRD-CYBMUJFWSA-N 1 0 244.379 1.066 10 0 BDAERO Cc1cc([C@@H](C[NH3+])CO)ncc1Br ZINC000164013817 397790292 /nfs/dbraw/zinc/79/02/92/397790292.db2.gz UDKDRICEKTWQSI-ZETCQYMHSA-N 1 0 245.120 1.187 10 0 BDAERO CCc1ccc(-n2nncc2C[NH3+])cc1 ZINC000062245457 397737470 /nfs/dbraw/zinc/73/74/70/397737470.db2.gz POMOHJYZLRKOFF-UHFFFAOYSA-N 1 0 202.261 1.288 10 0 BDAERO C[C@@H](CC[NH3+])Nc1nc2ccccc2[nH]1 ZINC000308953026 397843545 /nfs/dbraw/zinc/84/35/45/397843545.db2.gz YGFIPWNIOOUAEX-QMMMGPOBSA-N 1 0 204.277 1.712 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])C2(CCC2)C1 ZINC000575447784 397933595 /nfs/dbraw/zinc/93/35/95/397933595.db2.gz VKMDKKHRQMROON-SNVBAGLBSA-N 1 0 240.347 1.982 10 0 BDAERO [NH3+]Cc1cc(Br)ncc1Cl ZINC000238631497 397938385 /nfs/dbraw/zinc/93/83/85/397938385.db2.gz CJOCDWYJFRTUKE-UHFFFAOYSA-N 1 0 221.485 1.956 10 0 BDAERO O[C@@H](c1cccs1)[C@H]1C[NH2+]CCS1 ZINC000575462694 397943278 /nfs/dbraw/zinc/94/32/78/397943278.db2.gz PHEUZCYLAYBYOO-BDAKNGLRSA-N 1 0 215.343 1.487 10 0 BDAERO Cc1noc2ncnc(N[C@H]3CC[C@@H](C[NH3+])C3)c12 ZINC000382466774 397952267 /nfs/dbraw/zinc/95/22/67/397952267.db2.gz MSRJILHTIQDTSH-BDAKNGLRSA-N 1 0 247.302 1.466 10 0 BDAERO C[C@H]([NH3+])c1cncn1[C@@H]1CS[C@H](C)C1 ZINC000306986581 397962754 /nfs/dbraw/zinc/96/27/54/397962754.db2.gz OZNBLSHIZIUCKM-VGMNWLOBSA-N 1 0 211.334 1.969 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](n2cccn2)CC1 ZINC000616684034 397925561 /nfs/dbraw/zinc/92/55/61/397925561.db2.gz ALFBJUUYBOFLIX-NSHDSACASA-N 1 0 209.293 1.512 10 0 BDAERO [NH3+]CCN1C[C@H](C(F)(F)F)Nc2ccccc21 ZINC000616683961 397925836 /nfs/dbraw/zinc/92/58/36/397925836.db2.gz KBAMADYIGVLQMR-SNVBAGLBSA-N 1 0 245.248 1.808 10 0 BDAERO O[C@@H]1CCC[C@@H](C[NH+]2CCN(C3CC3)CC2)C1 ZINC000383877474 398047227 /nfs/dbraw/zinc/04/72/27/398047227.db2.gz IWTLTSOSBCPHFR-TZMCWYRMSA-N 1 0 238.375 1.318 10 0 BDAERO OCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000383662833 398033076 /nfs/dbraw/zinc/03/30/76/398033076.db2.gz JVDWTQKVAXXAGN-MELADBBJSA-N 1 0 241.375 1.774 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CCCOCC1 ZINC000383826798 398040210 /nfs/dbraw/zinc/04/02/10/398040210.db2.gz IEBKMTPJYSHIHT-NEPJUHHUSA-N 1 0 240.347 1.204 10 0 BDAERO CCN(C(=O)OC(C)(C)C)[C@@H](C)C[NH3+] ZINC000202518040 397970221 /nfs/dbraw/zinc/97/02/21/397970221.db2.gz BCXIODCAQHGGLG-QMMMGPOBSA-N 1 0 202.298 1.591 10 0 BDAERO CC[C@@H]1C[C@]2(CO1)[NH2+][C@H](C)CCS2 ZINC000575509996 397970701 /nfs/dbraw/zinc/97/07/01/397970701.db2.gz SEUQIMZLGKMGII-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO COCc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)o1 ZINC000382793513 397977514 /nfs/dbraw/zinc/97/75/14/397977514.db2.gz XYCZZFHVKZQUER-SKDRFNHKSA-N 1 0 224.304 1.205 10 0 BDAERO CSCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186552864 398068423 /nfs/dbraw/zinc/06/84/23/398068423.db2.gz FJSVHUSNKUXKLL-VIFPVBQESA-N 1 0 228.361 1.092 10 0 BDAERO Clc1cncnc1NCCC1CC[NH2+]CC1 ZINC000650311241 398095397 /nfs/dbraw/zinc/09/53/97/398095397.db2.gz UADFJVWQUVNBFI-UHFFFAOYSA-N 1 0 240.738 1.354 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCOC(C)(C)C1 ZINC000383993557 398055601 /nfs/dbraw/zinc/05/56/01/398055601.db2.gz LYCAHWLCYVQOIR-NSHDSACASA-N 1 0 242.363 1.387 10 0 BDAERO Cc1cnc(NC[C@H]2CCC[NH2+]2)nc1C ZINC000107201571 322862004 /nfs/dbraw/zinc/86/20/04/322862004.db2.gz IKXNQDWHWRCHEQ-SNVBAGLBSA-N 1 0 206.293 1.257 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)O1 ZINC000384723798 398103266 /nfs/dbraw/zinc/10/32/66/398103266.db2.gz ISEQNLCNGALKFN-ZIQFBCGOSA-N 1 0 240.347 1.057 10 0 BDAERO CCN(C(=O)[C@H]1CC[NH2+]1)c1ccccc1C ZINC000384785952 398105891 /nfs/dbraw/zinc/10/58/91/398105891.db2.gz NLYNNYJHQVYIGR-LLVKDONJSA-N 1 0 218.300 1.710 10 0 BDAERO CC(C)n1nnnc1C[NH2+]C1(C2CCC2)CC1 ZINC000649807762 398115301 /nfs/dbraw/zinc/11/53/01/398115301.db2.gz FJTUORDHLRLXBV-UHFFFAOYSA-N 1 0 235.335 1.676 10 0 BDAERO CCOc1cncc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630531260 398131803 /nfs/dbraw/zinc/13/18/03/398131803.db2.gz AKKOXOVPWXFCHO-UWVGGRQHSA-N 1 0 236.319 1.428 10 0 BDAERO CCOc1cncc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630531261 398131816 /nfs/dbraw/zinc/13/18/16/398131816.db2.gz AKKOXOVPWXFCHO-VHSXEESVSA-N 1 0 236.319 1.428 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1COc2ccccc21 ZINC000385055227 398128650 /nfs/dbraw/zinc/12/86/50/398128650.db2.gz DMSRUYUVVZDXQS-USWWRNFRSA-N 1 0 246.310 1.111 10 0 BDAERO Cc1cc(N[C@H]2C[NH2+]CC[C@H]2C)nc(C)n1 ZINC000389728373 398130038 /nfs/dbraw/zinc/13/00/38/398130038.db2.gz NEPGBZHGALZVRF-KCJUWKMLSA-N 1 0 220.320 1.503 10 0 BDAERO CC(C)C[NH2+]Cc1cnn(C[C@@H]2CCOC2)c1 ZINC000054720386 167009486 /nfs/dbraw/zinc/00/94/86/167009486.db2.gz NGYJFFZONKJEFZ-LBPRGKRZSA-N 1 0 237.347 1.665 10 0 BDAERO CC(C)NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046502071 167041824 /nfs/dbraw/zinc/04/18/24/167041824.db2.gz BZCXKZPBPAHIRW-GHMZBOCLSA-N 1 0 228.336 1.010 10 0 BDAERO Cc1nn(C)c2nccc(NCCC[NH3+])c12 ZINC000257757076 322873588 /nfs/dbraw/zinc/87/35/88/322873588.db2.gz QORKAWFDOYDEKI-UHFFFAOYSA-N 1 0 219.292 1.037 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000037632199 167100512 /nfs/dbraw/zinc/10/05/12/167100512.db2.gz IVOXSGYEFAERLN-TXEJJXNPSA-N 1 0 242.363 1.400 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCCN1Cc1ncon1 ZINC000104415996 167111679 /nfs/dbraw/zinc/11/16/79/167111679.db2.gz QHRZQMVXOGBEPV-NSHDSACASA-N 1 0 238.335 1.422 10 0 BDAERO CC(C)(CN[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000258976685 322880643 /nfs/dbraw/zinc/88/06/43/322880643.db2.gz LTTZIONHZDNSRR-NSHDSACASA-N 1 0 219.332 1.311 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)c2ccccc21 ZINC000676234946 487564400 /nfs/dbraw/zinc/56/44/00/487564400.db2.gz VMJVDRZSIDXLMH-WQAKAFBOSA-N 1 0 230.311 1.713 10 0 BDAERO CCOc1cc(N[C@H](C)CCC[NH3+])nc(C)n1 ZINC000094948093 487565124 /nfs/dbraw/zinc/56/51/24/487565124.db2.gz UCRAKSCGNRFYTP-SECBINFHSA-N 1 0 238.335 1.723 10 0 BDAERO CC(C)OCCC[NH2+]CCN1CCCCC1 ZINC000041626629 167221736 /nfs/dbraw/zinc/22/17/36/167221736.db2.gz TYBHHUWRGKYXSL-UHFFFAOYSA-N 1 0 228.380 1.877 10 0 BDAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000052271248 487579103 /nfs/dbraw/zinc/57/91/03/487579103.db2.gz FFZWDEDOGVYQAN-GBIKHYSHSA-N 1 0 243.314 1.721 10 0 BDAERO CC(C)OCCN1CCC[NH2+][C@H](C)C1 ZINC000062568747 167232896 /nfs/dbraw/zinc/23/28/96/167232896.db2.gz NUPKJWSUPVCJHD-LLVKDONJSA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)OCCN1CC[NH2+][C@H](C)CC1 ZINC000062568770 167236000 /nfs/dbraw/zinc/23/60/00/167236000.db2.gz HADTUNACNMDXEG-LLVKDONJSA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)OCCOCc1ccccc1C(N)=[NH2+] ZINC000019429793 167247876 /nfs/dbraw/zinc/24/78/76/167247876.db2.gz KSYMVYRDBQGFAR-UHFFFAOYSA-N 1 0 236.315 1.912 10 0 BDAERO CC[N@H+](CCCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000308946638 487596570 /nfs/dbraw/zinc/59/65/70/487596570.db2.gz WIFVFFZTTOXSBF-VXGBXAGGSA-N 1 0 215.337 1.242 10 0 BDAERO CC[C@@H](O)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000308463719 409707198 /nfs/dbraw/zinc/70/71/98/409707198.db2.gz GKHGTSLPKWPQPW-GMTAPVOTSA-N 1 0 201.310 1.041 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662370905 409679517 /nfs/dbraw/zinc/67/95/17/409679517.db2.gz FQXMCVNLGJNGQU-MNOVXSKESA-N 1 0 237.290 1.503 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1c(C)[nH]c2ccccc21 ZINC000653138158 409860899 /nfs/dbraw/zinc/86/08/99/409860899.db2.gz KZNQCBIJWMQKMT-SECBINFHSA-N 1 0 245.326 1.814 10 0 BDAERO C[N@@H+](Cc1ccco1)C[C@H](O)COC(C)(C)C ZINC000046343016 409940843 /nfs/dbraw/zinc/94/08/43/409940843.db2.gz CKMXSCKPGFUFEK-NSHDSACASA-N 1 0 241.331 1.887 10 0 BDAERO Cc1cn(C)nc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662969948 409999287 /nfs/dbraw/zinc/99/92/87/409999287.db2.gz BMNRYYLJJDUQKV-JTQLQIEISA-N 1 0 236.319 1.199 10 0 BDAERO CCCc1nccnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000663271733 410091186 /nfs/dbraw/zinc/09/11/86/410091186.db2.gz GUZRQAAHUAPNAI-PHIMTYICSA-N 1 0 232.331 1.085 10 0 BDAERO Clc1cccnc1NCC12CC(C1)C[NH2+]2 ZINC000663275047 410092196 /nfs/dbraw/zinc/09/21/96/410092196.db2.gz ZRDQDLQIYYKYRR-UHFFFAOYSA-N 1 0 223.707 1.899 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nc2ccccc2[nH]1 ZINC000663280780 410096250 /nfs/dbraw/zinc/09/62/50/410096250.db2.gz MIXUUCGBEQDWQW-QMMMGPOBSA-N 1 0 204.277 1.583 10 0 BDAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000653176440 410151619 /nfs/dbraw/zinc/15/16/19/410151619.db2.gz VCMMBTPAPDJSQI-YTWAJWBKSA-N 1 0 242.388 1.385 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCOCC12CCC2 ZINC000653168941 410135455 /nfs/dbraw/zinc/13/54/55/410135455.db2.gz UVDFIISEKJLXLT-NSHDSACASA-N 1 0 240.347 1.141 10 0 BDAERO Cc1ccc2[nH]c([C@H]3CC[NH2+]C3)nc2c1 ZINC000062119364 410178617 /nfs/dbraw/zinc/17/86/17/410178617.db2.gz WJXKQTAQBUTNOA-VIFPVBQESA-N 1 0 201.273 1.948 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(c2ncccc2OC)C1 ZINC000128307160 410230974 /nfs/dbraw/zinc/23/09/74/410230974.db2.gz WJAUNRBRUJBYPV-NSHDSACASA-N 1 0 235.331 1.526 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661155526 410308743 /nfs/dbraw/zinc/30/87/43/410308743.db2.gz UVSMBYQAIHPLMH-QWRGUYRKSA-N 1 0 215.337 1.144 10 0 BDAERO Cc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)n(C)n1 ZINC000128873562 410365330 /nfs/dbraw/zinc/36/53/30/410365330.db2.gz HCIZSRUZTIHQGG-SECBINFHSA-N 1 0 224.308 1.040 10 0 BDAERO Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000335598069 410450373 /nfs/dbraw/zinc/45/03/73/410450373.db2.gz SNHJPLFQCDPEJX-OIBJUYFYSA-N 1 0 236.319 1.353 10 0 BDAERO c1ccc(-c2nnccc2N2CC[NH2+]CC2)cc1 ZINC000142038176 410519962 /nfs/dbraw/zinc/51/99/62/410519962.db2.gz QWPOSMPCNPLKEM-UHFFFAOYSA-N 1 0 240.310 1.553 10 0 BDAERO CCN(CC)C(=O)[C@H](C)O[C@H]1CC[C@H](C)[NH2+]C1 ZINC000050211728 169758543 /nfs/dbraw/zinc/75/85/43/169758543.db2.gz HENMIILOYWADKX-SRVKXCTJSA-N 1 0 242.363 1.400 10 0 BDAERO CC(C)(C)N1CCC2(CC[NH2+]CC2)C1=O ZINC000002391742 166609965 /nfs/dbraw/zinc/60/99/65/166609965.db2.gz LCCQPFDPZXCVIO-UHFFFAOYSA-N 1 0 210.321 1.387 10 0 BDAERO CC(C)(C)OC(=O)NCC[NH2+]C1CC1 ZINC000039091288 166661019 /nfs/dbraw/zinc/66/10/19/166661019.db2.gz CUZUDXYCBRXRBQ-UHFFFAOYSA-N 1 0 200.282 1.263 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+][C@H](C2CC2)CCN1 ZINC000095931206 166671257 /nfs/dbraw/zinc/67/12/57/166671257.db2.gz WYFKIOHWIZZZID-QWRGUYRKSA-N 1 0 240.347 1.058 10 0 BDAERO CN(C)[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000393760900 410761630 /nfs/dbraw/zinc/76/16/30/410761630.db2.gz LFGRZDOWQFHHON-JHJVBQTASA-N 1 0 226.364 1.173 10 0 BDAERO CCOC1CCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000040690014 410885385 /nfs/dbraw/zinc/88/53/85/410885385.db2.gz AVZZCHCHUQPUAX-ZYHUDNBSSA-N 1 0 242.363 1.387 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@@H](CO)C1CCCC1 ZINC000395336296 410847393 /nfs/dbraw/zinc/84/73/93/410847393.db2.gz VEIUAKTZRSQCRF-STQMWFEESA-N 1 0 226.364 1.221 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000395387879 410851041 /nfs/dbraw/zinc/85/10/41/410851041.db2.gz WIVHQNNRZZQNKK-NWDGAFQWSA-N 1 0 226.364 1.173 10 0 BDAERO [NH3+]CC1(CCNc2ncnc3c2CCCC3)CC1 ZINC000395897458 410866812 /nfs/dbraw/zinc/86/68/12/410866812.db2.gz UQEAZFVMPHBBTB-UHFFFAOYSA-N 1 0 246.358 1.318 10 0 BDAERO CCOc1cncc(NCCC2(C[NH3+])CC2)n1 ZINC000395968182 410868551 /nfs/dbraw/zinc/86/85/51/410868551.db2.gz WFABGFZWRFBZAW-UHFFFAOYSA-N 1 0 236.319 1.416 10 0 BDAERO Cc1cnc(C[NH2+][C@@H]2CCC[C@H](O)C2)s1 ZINC000394728101 410819920 /nfs/dbraw/zinc/81/99/20/410819920.db2.gz LKQRXQNKGXYQQH-ZJUUUORDSA-N 1 0 226.345 1.845 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CCCN1c1nccn1C ZINC000053697406 167006228 /nfs/dbraw/zinc/00/62/28/167006228.db2.gz WKFPAWWGJAMVJS-LBPRGKRZSA-N 1 0 236.363 1.635 10 0 BDAERO CC(C)C[NH2+]Cc1csc(CN(C)C)n1 ZINC000082686659 167009784 /nfs/dbraw/zinc/00/97/84/167009784.db2.gz KTRYVSVPYBGTAD-UHFFFAOYSA-N 1 0 227.377 1.950 10 0 BDAERO CC(C)C[NH2+]Cc1nc2cccnc2[nH]1 ZINC000062742487 167010622 /nfs/dbraw/zinc/01/06/22/167010622.db2.gz JYPWSKZQWQUVMS-UHFFFAOYSA-N 1 0 204.277 1.704 10 0 BDAERO CC(C)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000309086343 167015523 /nfs/dbraw/zinc/01/55/23/167015523.db2.gz YCFKSLROFDRRRK-JQWIXIFHSA-N 1 0 210.321 1.289 10 0 BDAERO Cc1nc(CNC(=O)[C@H]2CCC[NH2+]C2)cs1 ZINC000041011253 410900109 /nfs/dbraw/zinc/90/01/09/410900109.db2.gz ILLSXPDZXMATSL-VIFPVBQESA-N 1 0 239.344 1.067 10 0 BDAERO CC(C)NC(=O)CN(C)Cc1ccccc1C[NH3+] ZINC000037757739 167048324 /nfs/dbraw/zinc/04/83/24/167048324.db2.gz ZNKUOKUGRAILAX-UHFFFAOYSA-N 1 0 249.358 1.102 10 0 BDAERO CC(C)NC(=O)CNCC[NH+](C(C)C)C(C)C ZINC000020039326 167058852 /nfs/dbraw/zinc/05/88/52/167058852.db2.gz PYKCBUZPJXYCOC-UHFFFAOYSA-N 1 0 243.395 1.219 10 0 BDAERO CC(C)NC(=O)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309671239 167061148 /nfs/dbraw/zinc/06/11/48/167061148.db2.gz JVZXZJZVVDCCNJ-MNOVXSKESA-N 1 0 230.327 1.629 10 0 BDAERO CC(C)NC(=O)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000035691116 167077303 /nfs/dbraw/zinc/07/73/03/167077303.db2.gz OWSVRTGLKNEEIH-ZJUUUORDSA-N 1 0 213.325 1.225 10 0 BDAERO CC(C)[NH2+]C1CCN(Cc2cc[nH]c2)CC1 ZINC000128365010 167094588 /nfs/dbraw/zinc/09/45/88/167094588.db2.gz VLFPOVISOGUJTB-UHFFFAOYSA-N 1 0 221.348 1.977 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@@](CO)(C(C)C)C1 ZINC000309606183 167105626 /nfs/dbraw/zinc/10/56/26/167105626.db2.gz LIHCTRXDJNQWEV-CYBMUJFWSA-N 1 0 228.380 1.325 10 0 BDAERO CC(C)[NH2+]C[C@@H](C)N1CCn2ccnc2C1 ZINC000062325190 167110525 /nfs/dbraw/zinc/11/05/25/167110525.db2.gz WMNWBSCQBTYWKG-LLVKDONJSA-N 1 0 222.336 1.085 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC1(C2CC2)CC1 ZINC000309241544 410905500 /nfs/dbraw/zinc/90/55/00/410905500.db2.gz AUROLICZIJITBR-JTQLQIEISA-N 1 0 210.321 1.419 10 0 BDAERO CC(C)[NH2+]Cc1ccc(N2CCCOCC2)nc1 ZINC000061935325 167119485 /nfs/dbraw/zinc/11/94/85/167119485.db2.gz BAXRSCVZZRWNSI-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO CC(C)[NH2+][C@@H](C(N)=O)c1cc(F)c(F)c(F)c1 ZINC000062712462 167130176 /nfs/dbraw/zinc/13/01/76/167130176.db2.gz IJBIYZYFXYEDMX-SNVBAGLBSA-N 1 0 246.232 1.628 10 0 BDAERO CC(C)N[C@H](CC[NH+]1CCCCCC1)C(N)=O ZINC000062441187 167138514 /nfs/dbraw/zinc/13/85/14/167138514.db2.gz BLZYGPXIZYCNOD-GFCCVEGCSA-N 1 0 241.379 1.104 10 0 BDAERO CC(C)[NH2+][C@H]1COc2cccc(C(N)=O)c2C1 ZINC000013809334 167141891 /nfs/dbraw/zinc/14/18/91/167141891.db2.gz FVAVMEQKDWJQEM-SECBINFHSA-N 1 0 234.299 1.087 10 0 BDAERO CC(C)[NH2+][C@](C)(C(N)=O)c1cccc(O)c1 ZINC000037446562 167142712 /nfs/dbraw/zinc/14/27/12/167142712.db2.gz BIVIMGUDPPWUEB-LBPRGKRZSA-N 1 0 222.288 1.091 10 0 BDAERO CC(C)[NH2+][C@]1(CN)CCc2ccccc2C1 ZINC000050271005 167143050 /nfs/dbraw/zinc/14/30/50/167143050.db2.gz CHQCPVKLLQNASU-CQSZACIVSA-N 1 0 218.344 1.871 10 0 BDAERO CC(C)OC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000044240586 167165393 /nfs/dbraw/zinc/16/53/93/167165393.db2.gz ZVGRHNIWJVSHHN-JTQLQIEISA-N 1 0 226.320 1.796 10 0 BDAERO CC(C)OC1CC([NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000336764341 167178540 /nfs/dbraw/zinc/17/85/40/167178540.db2.gz QDOLWHKMVBTJNZ-YYJSSNLHSA-N 1 0 213.321 1.709 10 0 BDAERO CC(C)OCCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000236790670 167200202 /nfs/dbraw/zinc/20/02/02/167200202.db2.gz ODYCVWXHFXJABA-WDEREUQCSA-N 1 0 228.336 1.045 10 0 BDAERO CC(C)OCCN1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860439 167237290 /nfs/dbraw/zinc/23/72/90/167237290.db2.gz QSIZWBAGGXGPKR-OAHLLOKOSA-N 1 0 248.370 1.797 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000655495366 410914430 /nfs/dbraw/zinc/91/44/30/410914430.db2.gz NHKAATGUEVBUPF-PWSUYJOCSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)Oc1ccccc1N(C)C[C@H](O)C[NH3+] ZINC000077384005 167311506 /nfs/dbraw/zinc/31/15/06/167311506.db2.gz NFJNQBXVFALCGY-LLVKDONJSA-N 1 0 238.331 1.230 10 0 BDAERO CC(C)Oc1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040687644 167315068 /nfs/dbraw/zinc/31/50/68/167315068.db2.gz UMMZYOIAKMTGJS-UHFFFAOYSA-N 1 0 245.286 1.985 10 0 BDAERO CC(C)SCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336761601 167331718 /nfs/dbraw/zinc/33/17/18/167331718.db2.gz NOZRTIZPDUSDRU-VHSXEESVSA-N 1 0 230.377 1.385 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NCCCC[NH3+] ZINC000236657541 167356002 /nfs/dbraw/zinc/35/60/02/167356002.db2.gz PAOAWAFPUNMTRE-JTQLQIEISA-N 1 0 200.326 1.524 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236658338 167358128 /nfs/dbraw/zinc/35/81/28/167358128.db2.gz VIWJWJDSWWIEJC-RYUDHWBXSA-N 1 0 226.364 1.784 10 0 BDAERO CC(C)[C@@H](C)[N@H+](C)[C@]1(CN)CCSC1 ZINC000036786905 167370972 /nfs/dbraw/zinc/37/09/72/167370972.db2.gz RGURXRJXIDMAEY-MNOVXSKESA-N 1 0 216.394 1.797 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000375839888 167384224 /nfs/dbraw/zinc/38/42/24/167384224.db2.gz JUWXEGFOQLUDBK-GHMZBOCLSA-N 1 0 207.321 1.832 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000335701941 167385641 /nfs/dbraw/zinc/38/56/41/167385641.db2.gz MHXDKKVEBVSWHC-ZJUUUORDSA-N 1 0 212.337 1.678 10 0 BDAERO CC(C)[C@@H](C[NH3+])Cc1nnnn1-c1ccccc1 ZINC000052947250 167396548 /nfs/dbraw/zinc/39/65/48/167396548.db2.gz JVGREKZWQYFDMC-LLVKDONJSA-N 1 0 245.330 1.436 10 0 BDAERO CC(C)[C@@H](C[NH3+])c1nc2cccnc2[nH]1 ZINC000082928486 167396716 /nfs/dbraw/zinc/39/67/16/167396716.db2.gz SZQCZBCCJJGXKY-MRVPVSSYSA-N 1 0 204.277 1.656 10 0 BDAERO CC(C)[C@H]1CN2CCSC[C@H]2C[NH2+]1 ZINC000082382422 167493140 /nfs/dbraw/zinc/49/31/40/167493140.db2.gz CZUIWEWLBSICDT-NXEZZACHSA-N 1 0 200.351 1.032 10 0 BDAERO CC[C@@H]([NH2+]C1CCN(CCO)CC1)C1CCC1 ZINC000398959822 411001347 /nfs/dbraw/zinc/00/13/47/411001347.db2.gz LLWLLDVWEUMTOB-CQSZACIVSA-N 1 0 240.391 1.611 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCOC3)C2)C1 ZINC000659999142 411163171 /nfs/dbraw/zinc/16/31/71/411163171.db2.gz WRLOQZPMHCYDIA-MGPQQGTHSA-N 1 0 239.359 1.650 10 0 BDAERO [NH3+]C[C@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000044532140 411137095 /nfs/dbraw/zinc/13/70/95/411137095.db2.gz HRGOQQXIXYLGAS-LLVKDONJSA-N 1 0 242.326 1.805 10 0 BDAERO CC[C@@H](NC(=O)C(C)(C)C[NH3+])C(C)C ZINC000044752035 411140252 /nfs/dbraw/zinc/14/02/52/411140252.db2.gz SHAMMPTWEDRXHH-SECBINFHSA-N 1 0 200.326 1.522 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](C)C(C)C ZINC000616571155 411149617 /nfs/dbraw/zinc/14/96/17/411149617.db2.gz PLTHDWUJOJWNMF-QJPTWQEYSA-N 1 0 226.364 1.783 10 0 BDAERO CC1CC(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000309516414 411157624 /nfs/dbraw/zinc/15/76/24/411157624.db2.gz RSVNADIMHFBPSY-YVNMAJEFSA-N 1 0 210.321 1.148 10 0 BDAERO C[N@H+](C[C@H]1CCC[C@H]1O)C[C@@H]1CCC[C@H](O)C1 ZINC000660124196 411242854 /nfs/dbraw/zinc/24/28/54/411242854.db2.gz JOXJACYNIMCQJW-YIYPIFLZSA-N 1 0 241.375 1.630 10 0 BDAERO CC[C@H]1SCCS[C@@H]1C(=[NH2+])NC ZINC000228187164 411182881 /nfs/dbraw/zinc/18/28/81/411182881.db2.gz NUNNOPHTBDGOLB-RQJHMYQMSA-N 1 0 204.364 1.810 10 0 BDAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cncs1 ZINC000658354347 411243915 /nfs/dbraw/zinc/24/39/15/411243915.db2.gz CDUNSXYLCLHRPU-AFPNSQJFSA-N 1 0 212.318 1.565 10 0 BDAERO c1cn2c(n1)CN(CCCC1CC[NH2+]CC1)CC2 ZINC000062321660 411202060 /nfs/dbraw/zinc/20/20/60/411202060.db2.gz PAJMCOIYQJIBNM-UHFFFAOYSA-N 1 0 248.374 1.479 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCCO1 ZINC000129012918 411203349 /nfs/dbraw/zinc/20/33/49/411203349.db2.gz JDGWLGNEKNXYFV-GHMZBOCLSA-N 1 0 228.336 1.045 10 0 BDAERO Cc1ncsc1CNC(=O)C[C@H]([NH3+])C(C)C ZINC000129057336 411216930 /nfs/dbraw/zinc/21/69/30/411216930.db2.gz PZPJTCYKCCRUQE-VIFPVBQESA-N 1 0 241.360 1.441 10 0 BDAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC000658054029 411223481 /nfs/dbraw/zinc/22/34/81/411223481.db2.gz CAHIERIUSPVCND-WDEREUQCSA-N 1 0 224.348 1.823 10 0 BDAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCNC2=O)s1 ZINC000658054236 411224425 /nfs/dbraw/zinc/22/44/25/411224425.db2.gz OZLILBXOHJRIMG-WCBMZHEXSA-N 1 0 238.356 1.850 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@@H]2CCCOCC2)CC1 ZINC000310230253 411227709 /nfs/dbraw/zinc/22/77/09/411227709.db2.gz GVKSUBCSLKCTHA-HTAVTVPLSA-N 1 0 240.347 1.189 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccco1 ZINC000128846344 411247315 /nfs/dbraw/zinc/24/73/15/411247315.db2.gz RNEJZOVKKTXCGR-SNVBAGLBSA-N 1 0 210.277 1.269 10 0 BDAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000049842514 411247508 /nfs/dbraw/zinc/24/75/08/411247508.db2.gz UNEJPBKVGUETPR-WDEREUQCSA-N 1 0 224.348 1.681 10 0 BDAERO CC[C@H](NC(=O)[C@]1(COC)CC[NH2+]C1)C(C)C ZINC000310447430 411237889 /nfs/dbraw/zinc/23/78/89/411237889.db2.gz RMALCTQQWZKKSE-WCQYABFASA-N 1 0 242.363 1.163 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cc(N)n[nH]2)CC1 ZINC000616684170 411239245 /nfs/dbraw/zinc/23/92/45/411239245.db2.gz FKSPZOOTIDSWAX-JTQLQIEISA-N 1 0 238.335 1.554 10 0 BDAERO O=C1NCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000653777742 411166863 /nfs/dbraw/zinc/16/68/63/411166863.db2.gz UQYJFDPDZKGMJY-NNYUYHANSA-N 1 0 222.332 1.291 10 0 BDAERO c1ccc([C@]23CC[N@@H+](C4CC4)C[C@H]2O3)nc1 ZINC000536958664 411266112 /nfs/dbraw/zinc/26/61/12/411266112.db2.gz HJTSPFOZHJHAQA-CHWSQXEVSA-N 1 0 216.284 1.544 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nccn3C2)[C@H]1C ZINC000381043867 411284689 /nfs/dbraw/zinc/28/46/89/411284689.db2.gz CUGJXNQVHOKRKW-RHYQMDGZSA-N 1 0 219.332 1.832 10 0 BDAERO C[C@H](C[NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000054338336 411295790 /nfs/dbraw/zinc/29/57/90/411295790.db2.gz OPKUKOHUGJNKAT-SFYZADRCSA-N 1 0 242.269 1.737 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCCC(C)(C)C2)C1 ZINC000070260305 411296917 /nfs/dbraw/zinc/29/69/17/411296917.db2.gz VUYPOMRKQVKFSG-GHMZBOCLSA-N 1 0 240.347 1.012 10 0 BDAERO CC[C@@H]([NH2+]C1CC(CO)C1)[C@H]1CCOC1 ZINC000658357418 411303426 /nfs/dbraw/zinc/30/34/26/411303426.db2.gz UUKIDWVASLFHTB-POSLAHMBSA-N 1 0 213.321 1.162 10 0 BDAERO COCC1(C[N@@H+]2C[C@H](C)C[C@H](O)C2)CCC1 ZINC000401731671 411305779 /nfs/dbraw/zinc/30/57/79/411305779.db2.gz DCRNYCSHCGHLST-NEPJUHHUSA-N 1 0 227.348 1.506 10 0 BDAERO Cc1cnc(C)c(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000311020908 411305818 /nfs/dbraw/zinc/30/58/18/411305818.db2.gz QWCUOJODLKYWIK-JSGCOSHPSA-N 1 0 246.358 1.659 10 0 BDAERO CCc1cc(CC)nc(N(C)CC(C)(C)[NH3+])n1 ZINC000656609391 411307824 /nfs/dbraw/zinc/30/78/24/411307824.db2.gz ZNPQYFWCSJNUDF-UHFFFAOYSA-N 1 0 236.363 1.775 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1ccc(Cl)cn1 ZINC000656611862 411309843 /nfs/dbraw/zinc/30/98/43/411309843.db2.gz MXYPJXJXOJJYQV-UHFFFAOYSA-N 1 0 223.707 1.663 10 0 BDAERO CC(C)[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000658245434 411310035 /nfs/dbraw/zinc/31/00/35/411310035.db2.gz XYCDARFQJBQYGS-ZWNOBZJWSA-N 1 0 224.348 1.489 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1ccnc2cccnc21 ZINC000656611164 411310098 /nfs/dbraw/zinc/31/00/98/411310098.db2.gz YRCTYPJVFHBGQW-UHFFFAOYSA-N 1 0 240.310 1.557 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658245045 411310143 /nfs/dbraw/zinc/31/01/43/411310143.db2.gz OSGBUQZVHWFUKY-VXGBXAGGSA-N 1 0 232.327 1.816 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C)C2)o1 ZINC000658243636 411310731 /nfs/dbraw/zinc/31/07/31/411310731.db2.gz FCUMDTLCYCCJJS-QWRGUYRKSA-N 1 0 236.315 1.717 10 0 BDAERO CC(C)Oc1cncc(NCCC[NH3+])n1 ZINC000070570000 411311528 /nfs/dbraw/zinc/31/15/28/411311528.db2.gz GQJWOULGQLYJQW-UHFFFAOYSA-N 1 0 210.281 1.025 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CN(C)CCO2)CS1 ZINC000655725076 411319244 /nfs/dbraw/zinc/31/92/44/411319244.db2.gz MYOKFIKNVJENPH-WOPDTQHZSA-N 1 0 244.404 1.191 10 0 BDAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ncnc2c1CCCC2 ZINC000216172654 411350360 /nfs/dbraw/zinc/35/03/60/411350360.db2.gz CXNWQGZWQRMDDA-GHMZBOCLSA-N 1 0 246.358 1.529 10 0 BDAERO OCC1CC([NH2+][C@@H]2CCCSCC2)C1 ZINC000658352361 411354945 /nfs/dbraw/zinc/35/49/45/411354945.db2.gz FLQXQEACIRKEFO-HSOILSAZSA-N 1 0 215.362 1.633 10 0 BDAERO CCCN(CC)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000304235503 411355523 /nfs/dbraw/zinc/35/55/23/411355523.db2.gz MBXDHIAKBIKHPH-LBPRGKRZSA-N 1 0 230.396 1.715 10 0 BDAERO C[C@H](CCc1ccco1)[NH2+]C1CC(CO)C1 ZINC000658352829 411356502 /nfs/dbraw/zinc/35/65/02/411356502.db2.gz ZBYQKPJAYMSKRX-VOMCLLRMSA-N 1 0 223.316 1.961 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1ncnc2onc(C)c21 ZINC000130524119 411357853 /nfs/dbraw/zinc/35/78/53/411357853.db2.gz FYMPTTGZTJEKGK-VIFPVBQESA-N 1 0 249.318 1.856 10 0 BDAERO Cc1nccc(N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000069727478 411360310 /nfs/dbraw/zinc/36/03/10/411360310.db2.gz NQLMTYCOHHHFHY-KOLCDFICSA-N 1 0 220.320 1.349 10 0 BDAERO CCC(C)(C)[C@H](C)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000659340715 411368893 /nfs/dbraw/zinc/36/88/93/411368893.db2.gz WBHJOROTKKMBOZ-HBNTYKKESA-N 1 0 242.363 1.304 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCO[C@@H]1CC1(F)F ZINC000656708053 411334735 /nfs/dbraw/zinc/33/47/35/411334735.db2.gz JOUSVNDEGHMEAT-DTWKUNHWSA-N 1 0 237.290 1.407 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403214617 411335671 /nfs/dbraw/zinc/33/56/71/411335671.db2.gz GIPGHKSXSZRSIW-XNYRDIBGSA-N 1 0 236.359 1.809 10 0 BDAERO Cc1cnc(NCC2CC[NH2+]CC2)nc1 ZINC000063049054 411340190 /nfs/dbraw/zinc/34/01/90/411340190.db2.gz KEQDGKORLNMAFN-UHFFFAOYSA-N 1 0 206.293 1.197 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2(CO)CCC2)[C@@H]2CCO[C@H]21 ZINC000371783489 168005576 /nfs/dbraw/zinc/00/55/76/168005576.db2.gz JLZNCZZPNYTNRV-QJPTWQEYSA-N 1 0 239.359 1.552 10 0 BDAERO CC(C)(C)C[N@H+](CCO)C[C@H]1CCC[C@@H](O)C1 ZINC000659907800 411379338 /nfs/dbraw/zinc/37/93/38/411379338.db2.gz LJOJOWYCNOZKBJ-QWHCGFSZSA-N 1 0 243.391 1.878 10 0 BDAERO CC1CCC([NH3+])(C(=O)OC2CCC2)CC1 ZINC000050928894 168159410 /nfs/dbraw/zinc/15/94/10/168159410.db2.gz GMJZOXGEVUVECW-UHFFFAOYSA-N 1 0 211.305 1.990 10 0 BDAERO CC1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000019410497 168161935 /nfs/dbraw/zinc/16/19/35/168161935.db2.gz CSJHOFVWLNCDSR-CXQJBGSLSA-N 1 0 224.348 1.681 10 0 BDAERO CC1CCC(OC(=O)[C@H]([NH3+])C2CC2)CC1 ZINC000054524009 168167234 /nfs/dbraw/zinc/16/72/34/168167234.db2.gz ZICKPUSYPBELCO-BOBPJJCASA-N 1 0 211.305 1.846 10 0 BDAERO CC1CC[NH+]([C@@]2(CN)CCSC2)CC1 ZINC000019519376 168187121 /nfs/dbraw/zinc/18/71/21/168187121.db2.gz YWRXYRPHCNQVMP-LLVKDONJSA-N 1 0 214.378 1.553 10 0 BDAERO CCC(=O)Nc1nc(C[C@@H](C)[NH3+])cs1 ZINC000076782771 168249065 /nfs/dbraw/zinc/24/90/65/168249065.db2.gz UYVHBHJEIMZMGK-ZCFIWIBFSA-N 1 0 213.306 1.381 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCCOC1 ZINC000049281800 168289516 /nfs/dbraw/zinc/28/95/16/168289516.db2.gz UXSFQTBKSZUEAO-NSHDSACASA-N 1 0 242.363 1.307 10 0 BDAERO CCC(C)(C)NC(=O)CN[C@@H](C)CC[NH+](C)C ZINC000049557069 168290543 /nfs/dbraw/zinc/29/05/43/168290543.db2.gz LNHRGPDBANKLKA-NSHDSACASA-N 1 0 243.395 1.221 10 0 BDAERO CCC(C)(C)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000336237499 168292427 /nfs/dbraw/zinc/29/24/27/168292427.db2.gz DIVZUHJDABQUCD-JTQLQIEISA-N 1 0 227.352 1.616 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000019519438 168295325 /nfs/dbraw/zinc/29/53/25/168295325.db2.gz WFPOVBYFVSGAEK-VHSXEESVSA-N 1 0 212.337 1.679 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000051791936 168296663 /nfs/dbraw/zinc/29/66/63/168296663.db2.gz AOJQFOMXNYJNJS-ZJUUUORDSA-N 1 0 212.337 1.679 10 0 BDAERO CCSCC[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000366677747 411393153 /nfs/dbraw/zinc/39/31/53/411393153.db2.gz FTIYTUPBUPVUDJ-SNVBAGLBSA-N 1 0 240.376 1.764 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1CCC2(CC2)CC1 ZINC000659316052 411393194 /nfs/dbraw/zinc/39/31/94/411393194.db2.gz ZLSHBZVSFNTIIJ-PWSUYJOCSA-N 1 0 236.359 1.905 10 0 BDAERO COC[C@@]1(C(=O)N[C@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000659327489 411396088 /nfs/dbraw/zinc/39/60/88/411396088.db2.gz CJVLGRQJDRIBSQ-ZWNOBZJWSA-N 1 0 242.363 1.306 10 0 BDAERO CCC1(O)CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000659956620 411398899 /nfs/dbraw/zinc/39/88/99/411398899.db2.gz CBTGYLLUBFHIAC-OLZOCXBDSA-N 1 0 241.375 1.774 10 0 BDAERO CC[C@H]([NH2+]Cc1cn(C)nn1)C(C)(C)C ZINC000389872873 411399439 /nfs/dbraw/zinc/39/94/39/411399439.db2.gz KEWWNEUIHCKMPQ-JTQLQIEISA-N 1 0 210.325 1.729 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000659341345 411399746 /nfs/dbraw/zinc/39/97/46/411399746.db2.gz VJTUZXVBNXSJQL-TUAOUCFPSA-N 1 0 226.364 1.927 10 0 BDAERO C[C@H]1CC(CNC(=O)[C@@H]2CC[NH2+]C2)C[C@H](C)C1 ZINC000659343167 411399934 /nfs/dbraw/zinc/39/99/34/411399934.db2.gz MONKAUMNYCARME-NQBHXWOUSA-N 1 0 238.375 1.784 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1cccc(CO)c1 ZINC000616648173 411411161 /nfs/dbraw/zinc/41/11/61/411411161.db2.gz ACJATDYIQAAONT-ZDUSSCGKSA-N 1 0 221.300 1.572 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@H](n2ccnc2)CC1 ZINC000616687283 411414397 /nfs/dbraw/zinc/41/43/97/411414397.db2.gz RUSDAJNTXIGKAJ-NSHDSACASA-N 1 0 223.320 1.903 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC[C@@H]1CCCO1 ZINC000405367956 411426578 /nfs/dbraw/zinc/42/65/78/411426578.db2.gz HPBNKZIAQRAABV-SDDRHHMPSA-N 1 0 240.347 1.189 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC(C)(C)C2CC2)C1 ZINC000406050583 411450318 /nfs/dbraw/zinc/45/03/18/411450318.db2.gz YWEFMMKEAPOIJO-STQMWFEESA-N 1 0 241.375 1.894 10 0 BDAERO CC[C@@H](O)C[NH2+][C@H](C)COCc1ccccc1 ZINC000307287057 411469928 /nfs/dbraw/zinc/46/99/28/411469928.db2.gz SWTUMIWQIFQRRN-TZMCWYRMSA-N 1 0 237.343 1.952 10 0 BDAERO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000336739977 411472534 /nfs/dbraw/zinc/47/25/34/411472534.db2.gz LWEGBSUPZDNPTL-NWDGAFQWSA-N 1 0 224.348 1.990 10 0 BDAERO CC[C@@H]1C[C@@H]([NH2+]CCn2cc(C)cn2)CO1 ZINC000657354102 411474071 /nfs/dbraw/zinc/47/40/71/411474071.db2.gz ZBVAGLXHABUXLP-VXGBXAGGSA-N 1 0 223.320 1.349 10 0 BDAERO Cc1nc(C[NH2+]C[C@H](O)C(C)(C)C)[nH]c1C ZINC000657360195 411477053 /nfs/dbraw/zinc/47/70/53/411477053.db2.gz YWNWPRQYINXNLR-JTQLQIEISA-N 1 0 225.336 1.523 10 0 BDAERO O[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1O)CC(F)(F)F ZINC000307947792 411490118 /nfs/dbraw/zinc/49/01/18/411490118.db2.gz OMGAOZMAELLPCC-CIUDSAMLSA-N 1 0 241.253 1.050 10 0 BDAERO COc1cccnc1N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000127497039 411492150 /nfs/dbraw/zinc/49/21/50/411492150.db2.gz MRSCMVSLXGKLCE-QWRGUYRKSA-N 1 0 235.331 1.654 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CNCC(F)(F)F ZINC000020054218 169972136 /nfs/dbraw/zinc/97/21/36/169972136.db2.gz AQSGIRIHPWVWLF-MRVPVSSYSA-N 1 0 210.243 1.623 10 0 BDAERO C[C@H]1CN(C(=O)c2ccccc2O)C[C@@H]1C[NH3+] ZINC000638892479 411512920 /nfs/dbraw/zinc/51/29/20/411512920.db2.gz JMTHNPPFVHFETP-UWVGGRQHSA-N 1 0 234.299 1.059 10 0 BDAERO CO[C@@](C)(CO)C[NH2+]CC1CCC(C)CC1 ZINC000655808168 411521202 /nfs/dbraw/zinc/52/12/02/411521202.db2.gz SROVILZWQDEOEQ-WXRRBKDZSA-N 1 0 229.364 1.800 10 0 BDAERO CC[C@@H](CC(F)F)C[N@@H+]1CCO[C@H](CO)C1 ZINC000659997307 411523590 /nfs/dbraw/zinc/52/35/90/411523590.db2.gz BGUNQRGBYBQZHW-UWVGGRQHSA-N 1 0 237.290 1.361 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC)C2)CO1 ZINC000657495650 411535432 /nfs/dbraw/zinc/53/54/32/411535432.db2.gz KOHIGHHOSBJDGG-GRYCIOLGSA-N 1 0 212.337 1.238 10 0 BDAERO CC[N@@H+]1CC[C@@H](C[NH2+]CCn2ccnc2C)C1 ZINC000049330180 170007879 /nfs/dbraw/zinc/00/78/79/170007879.db2.gz DLVDKBDZMWSVJV-ZDUSSCGKSA-N 1 0 236.363 1.123 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2cccnn2)C1 ZINC000052816095 170010721 /nfs/dbraw/zinc/01/07/21/170010721.db2.gz QQURUZRCJFPPHW-JTQLQIEISA-N 1 0 206.293 1.230 10 0 BDAERO CC[N@@H+]1CC[C@@]12CCN(C(=O)c1cc(C)on1)C2 ZINC000096075915 170013863 /nfs/dbraw/zinc/01/38/63/170013863.db2.gz GZTDWQBCUOVRHS-CYBMUJFWSA-N 1 0 249.314 1.293 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000328188898 170022736 /nfs/dbraw/zinc/02/27/36/170022736.db2.gz OXCYQFBMKKSDKF-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccn2C)C1 ZINC000336675714 170030875 /nfs/dbraw/zinc/03/08/75/170030875.db2.gz BCLSDWOGDITOQN-YPMHNXCESA-N 1 0 221.348 1.455 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2scnc2C)C1 ZINC000309653231 170031290 /nfs/dbraw/zinc/03/12/90/170031290.db2.gz OWTXMKSDLAHLNO-MWLCHTKSSA-N 1 0 239.388 1.881 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2cccn2C)C1 ZINC000336675713 170038230 /nfs/dbraw/zinc/03/82/30/170038230.db2.gz BCLSDWOGDITOQN-WCQYABFASA-N 1 0 221.348 1.455 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2snnc2C)C1 ZINC000309678423 170038686 /nfs/dbraw/zinc/03/86/86/170038686.db2.gz YSJNCSVZDDLPOO-WCBMZHEXSA-N 1 0 240.376 1.276 10 0 BDAERO CCNC(=[NH2+])N[C@H](C)COc1ccc(C)cc1 ZINC000052043504 170041882 /nfs/dbraw/zinc/04/18/82/170041882.db2.gz JNVXASMACPFLNL-LLVKDONJSA-N 1 0 235.331 1.896 10 0 BDAERO CCNC(=O)C[N@H+](C)[C@@H](C)c1cccc(N)c1 ZINC000049725798 170055122 /nfs/dbraw/zinc/05/51/22/170055122.db2.gz LAVQVFTWBLCTMQ-JTQLQIEISA-N 1 0 235.331 1.398 10 0 BDAERO CCNC(=O)CN(C)[C@H](C[NH3+])c1cccc(C)c1 ZINC000042967280 170055618 /nfs/dbraw/zinc/05/56/18/170055618.db2.gz AYUDGMAZTROQEK-CYBMUJFWSA-N 1 0 249.358 1.063 10 0 BDAERO CCNC(=O)C[N@H+](CC)[C@H](C)c1ccc(N)cc1 ZINC000042367492 170057538 /nfs/dbraw/zinc/05/75/38/170057538.db2.gz CSPNXZRFPDVXEO-LLVKDONJSA-N 1 0 249.358 1.788 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1cccs1 ZINC000076612207 170089806 /nfs/dbraw/zinc/08/98/06/170089806.db2.gz PFXBPHVYHKXKQX-VIFPVBQESA-N 1 0 226.345 1.707 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000035139942 170095712 /nfs/dbraw/zinc/09/57/12/170095712.db2.gz JBTQOLCTJOSPQV-CMPLNLGQSA-N 1 0 248.326 1.624 10 0 BDAERO CCNC(=O)c1ccc(OCCC[NH3+])cc1 ZINC000020271556 170102953 /nfs/dbraw/zinc/10/29/53/170102953.db2.gz DADDGKWYGPRFTN-UHFFFAOYSA-N 1 0 222.288 1.164 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@H]1CC ZINC000061296843 170106428 /nfs/dbraw/zinc/10/64/28/170106428.db2.gz FSGYBVPTZDXWIG-SNVBAGLBSA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccncc1 ZINC000061289136 170107127 /nfs/dbraw/zinc/10/71/27/170107127.db2.gz CRXGLWIAIUHJIT-SNVBAGLBSA-N 1 0 235.331 1.647 10 0 BDAERO CC[NH2+]C1CCC(NC(=O)[C@H]2C[C@H]2C)CC1 ZINC000036880619 170108746 /nfs/dbraw/zinc/10/87/46/170108746.db2.gz NCUVOYKYABTNHJ-YYJSSNLHSA-N 1 0 224.348 1.679 10 0 BDAERO CC[NH2+]CC(C)(C)[C@@H]1CCS(=O)(=O)C1 ZINC000054637981 170110744 /nfs/dbraw/zinc/11/07/44/170110744.db2.gz NAUUQCUCTUFEMI-SECBINFHSA-N 1 0 219.350 1.057 10 0 BDAERO CC[NH2+]CCC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000061299376 170111466 /nfs/dbraw/zinc/11/14/66/170111466.db2.gz YVZWEAGEOQTYPK-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]CCc1nc2cc(F)c(F)cc2[nH]1 ZINC000051784290 170117955 /nfs/dbraw/zinc/11/79/55/170117955.db2.gz PMZVSKQOKDRWDD-UHFFFAOYSA-N 1 0 225.242 1.993 10 0 BDAERO CC[NH2+]CCc1nc2cc(OC)ccc2n1C ZINC000074297983 170118421 /nfs/dbraw/zinc/11/84/21/170118421.db2.gz RRXYJVORCQWNQA-UHFFFAOYSA-N 1 0 233.315 1.734 10 0 BDAERO CC[NH2+]C[C@@H](C)n1cc(Br)cn1 ZINC000052577602 170119164 /nfs/dbraw/zinc/11/91/64/170119164.db2.gz VTBHDJCMRRTSKG-SSDOTTSWSA-N 1 0 232.125 1.816 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cccc2c1CCCC2 ZINC000032104650 170119209 /nfs/dbraw/zinc/11/92/09/170119209.db2.gz IUUBJAUWXQPLKP-CYBMUJFWSA-N 1 0 249.354 1.915 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccc(OCC)cc1 ZINC000033468607 170119210 /nfs/dbraw/zinc/11/92/10/170119210.db2.gz ARRIKCYUIQGYKA-LLVKDONJSA-N 1 0 239.315 1.435 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1cc(C)ccc1C ZINC000071510624 170119332 /nfs/dbraw/zinc/11/93/32/170119332.db2.gz VEACDRQLTPJUGI-ZDUSSCGKSA-N 1 0 207.317 1.816 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1ccccn1 ZINC000053696550 170120212 /nfs/dbraw/zinc/12/02/12/170120212.db2.gz INWIRSCJEIEOAJ-NSHDSACASA-N 1 0 205.305 1.660 10 0 BDAERO CC[NH2+]C[C@@](O)(CC)c1ccc(OC)cc1 ZINC000032014669 170121245 /nfs/dbraw/zinc/12/12/45/170121245.db2.gz YLHKYUGMELPMGW-ZDUSSCGKSA-N 1 0 223.316 1.902 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1CC(=O)OC(C)C ZINC000104415983 170122693 /nfs/dbraw/zinc/12/26/93/170122693.db2.gz LAPQACBJAWDYBC-GFCCVEGCSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2ccccn2)C1 ZINC000053695941 170122697 /nfs/dbraw/zinc/12/26/97/170122697.db2.gz MDBYRUWQVITZSK-GFCCVEGCSA-N 1 0 219.332 1.908 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(Cc2ncccn2)C1 ZINC000054460383 170123085 /nfs/dbraw/zinc/12/30/85/170123085.db2.gz RKNNQYOEEDUAQW-GFCCVEGCSA-N 1 0 234.347 1.298 10 0 BDAERO CC[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000045205619 170126136 /nfs/dbraw/zinc/12/61/36/170126136.db2.gz BIPXIXNNDVBKON-UHFFFAOYSA-N 1 0 234.343 1.628 10 0 BDAERO CC[NH2+]Cc1ccc(-n2ccc(C)n2)nn1 ZINC000052885171 170126339 /nfs/dbraw/zinc/12/63/39/170126339.db2.gz QXNWALCQDJZPMD-UHFFFAOYSA-N 1 0 217.276 1.080 10 0 BDAERO CC[NH2+]Cc1ccc(O[C@H](C)C(=O)NC)cc1 ZINC000034657617 170127793 /nfs/dbraw/zinc/12/77/93/170127793.db2.gz JLDDBPZSIOLMOC-SNVBAGLBSA-N 1 0 236.315 1.309 10 0 BDAERO CC[NH2+]Cc1cnc(-c2ccco2)nc1 ZINC000054855664 170129423 /nfs/dbraw/zinc/12/94/23/170129423.db2.gz VJLKFSHALOBDHO-UHFFFAOYSA-N 1 0 203.245 1.846 10 0 BDAERO CC[NH2+]Cc1cnn([C@H]2CCCC[C@@H]2O)c1 ZINC000054600002 170130122 /nfs/dbraw/zinc/13/01/22/170130122.db2.gz JARFRMXUMZGKKT-RYUDHWBXSA-N 1 0 223.320 1.469 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H]1C[C@H]1c1ccccc1 ZINC000054747504 170131974 /nfs/dbraw/zinc/13/19/74/170131974.db2.gz GYDMAKBIFKPEQA-NWDGAFQWSA-N 1 0 243.314 1.511 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H](C)c1ccccc1C ZINC000054747900 170131986 /nfs/dbraw/zinc/13/19/86/170131986.db2.gz RWGAYKQMWSRQDR-LLVKDONJSA-N 1 0 245.330 1.700 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1ccc(C)c(F)c1 ZINC000054744376 170132202 /nfs/dbraw/zinc/13/22/02/170132202.db2.gz JBNDVHSETARZAO-UHFFFAOYSA-N 1 0 235.266 1.219 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1cc(C)c(O)c(C)c1 ZINC000037869730 170137631 /nfs/dbraw/zinc/13/76/31/170137631.db2.gz QYXYCBVZHVXANR-SNVBAGLBSA-N 1 0 222.288 1.145 10 0 BDAERO CC[NH2+][C@@H](CO)c1cc(C)c(O)c(C)c1 ZINC000038120426 170144770 /nfs/dbraw/zinc/14/47/70/170144770.db2.gz CWXLWXNBAGRSRK-NSHDSACASA-N 1 0 209.289 1.652 10 0 BDAERO CC(C)[C@@H]1C[N@H+](C[C@H]2CCC[C@H](O)C2)CCO1 ZINC000660221196 411555354 /nfs/dbraw/zinc/55/53/54/411555354.db2.gz MZLURGBTNWEVFB-IHRRRGAJSA-N 1 0 241.375 1.894 10 0 BDAERO CC[NH2+][C@@H](COC)Cc1nc(CC(C)C)no1 ZINC000104053042 170146893 /nfs/dbraw/zinc/14/68/93/170146893.db2.gz HCJRWMGBPCCDNA-SNVBAGLBSA-N 1 0 241.335 1.435 10 0 BDAERO CC[NH2+][C@@H](c1cnn(C)c1)c1cccc(C)n1 ZINC000104161609 170149516 /nfs/dbraw/zinc/14/95/16/170149516.db2.gz LIASBEAAMLXMLR-ZDUSSCGKSA-N 1 0 230.315 1.822 10 0 BDAERO CC[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000049647775 170151887 /nfs/dbraw/zinc/15/18/87/170151887.db2.gz IOSMFWQMSZASOB-LLVKDONJSA-N 1 0 210.321 1.530 10 0 BDAERO CC[NH2+][C@@H]1CCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000051086784 170151944 /nfs/dbraw/zinc/15/19/44/170151944.db2.gz QQEZKTUIGGMRHH-KGLIPLIRSA-N 1 0 246.354 1.674 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccccc2OC)C1 ZINC000037240309 170152450 /nfs/dbraw/zinc/15/24/50/170152450.db2.gz LWZGSLLMLFFGPJ-LLVKDONJSA-N 1 0 220.316 1.883 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2cccnc2)C1 ZINC000037483643 170152499 /nfs/dbraw/zinc/15/24/99/170152499.db2.gz ZOGYLHZOXSJHTM-WCQYABFASA-N 1 0 219.332 1.826 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000049647683 170152624 /nfs/dbraw/zinc/15/26/24/170152624.db2.gz PZMNWXNEULHSSL-LLVKDONJSA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000049647869 170152659 /nfs/dbraw/zinc/15/26/59/170152659.db2.gz PKUUWESIGLSZMQ-LLVKDONJSA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000035760555 170152782 /nfs/dbraw/zinc/15/27/82/170152782.db2.gz DIIWOOVUHWMFPE-SNVBAGLBSA-N 1 0 225.313 1.515 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@@H]1N1CCCCCC1 ZINC000043812251 170153286 /nfs/dbraw/zinc/15/32/86/170153286.db2.gz XCRJYWOFRHHGNA-OLZOCXBDSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C ZINC000043816038 170155398 /nfs/dbraw/zinc/15/53/98/170155398.db2.gz NXDFOHJJGBKOIR-CHWSQXEVSA-N 1 0 204.317 1.824 10 0 BDAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000082917683 170155429 /nfs/dbraw/zinc/15/54/29/170155429.db2.gz HDOXBIUWROUGGJ-YPMHNXCESA-N 1 0 205.301 1.892 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1ccc(OCC)cc1 ZINC000037869705 170156516 /nfs/dbraw/zinc/15/65/16/170156516.db2.gz ZJKPDCBEIBDTGP-NSHDSACASA-N 1 0 222.288 1.221 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@H](C)C1 ZINC000061268726 170156788 /nfs/dbraw/zinc/15/67/88/170156788.db2.gz AMBVKVYXJVTCSV-WDEREUQCSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+][C@H](C)CN1C(=O)CC(C)(C)CC1=O ZINC000061828109 170157114 /nfs/dbraw/zinc/15/71/14/170157114.db2.gz BGQQXFYEPYQXOQ-SECBINFHSA-N 1 0 226.320 1.160 10 0 BDAERO CCN[C@H](CC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000062440403 170161433 /nfs/dbraw/zinc/16/14/33/170161433.db2.gz CNBZEUCDDJMOOB-NWDGAFQWSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+][C@H](CCO)[C@H]1COc2ccccc2O1 ZINC000095091419 170161592 /nfs/dbraw/zinc/16/15/92/170161592.db2.gz CTHHDISIMLYCNP-ZWNOBZJWSA-N 1 0 237.299 1.187 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1CN1CCOCC1 ZINC000053861141 170167289 /nfs/dbraw/zinc/16/72/89/170167289.db2.gz URSUVANIEPIYLJ-RYUDHWBXSA-N 1 0 212.337 1.097 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc(CC)cc2)C1=O ZINC000049647691 170167864 /nfs/dbraw/zinc/16/78/64/170167864.db2.gz JSYVYBIBNMDJTN-ZDUSSCGKSA-N 1 0 232.327 1.964 10 0 BDAERO CC[NH2+][C@H]1CCN(CCOc2ccccc2)C1=O ZINC000042896759 170168088 /nfs/dbraw/zinc/16/80/88/170168088.db2.gz DCKREYYILBJYOK-ZDUSSCGKSA-N 1 0 248.326 1.276 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000095091450 170168221 /nfs/dbraw/zinc/16/82/21/170168221.db2.gz QWSAFDJDZVPCLE-CABCVRRESA-N 1 0 248.370 1.479 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc(N(C)C)cc2)C1=O ZINC000049648266 170168289 /nfs/dbraw/zinc/16/82/89/170168289.db2.gz ODVWJZVTVHSDOH-ZDUSSCGKSA-N 1 0 247.342 1.467 10 0 BDAERO CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(C)cc21 ZINC000035762046 170168802 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/nfs/dbraw/zinc/58/20/55/411582055.db2.gz XRXGPWKMKHQADU-WXRRBKDZSA-N 1 0 238.375 1.881 10 0 BDAERO CC(=O)Nc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657808574 411601009 /nfs/dbraw/zinc/60/10/09/411601009.db2.gz LSDGUDPIKBMHJZ-UHFFFAOYSA-N 1 0 248.326 1.506 10 0 BDAERO OCC1CC([NH2+]Cc2c(F)cccc2F)C1 ZINC000657808550 411601138 /nfs/dbraw/zinc/60/11/38/411601138.db2.gz KRWLFQJRBTXVRD-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO Cc1cccc(C[NH2+]C2CC(CO)C2)c1F ZINC000657810593 411601864 /nfs/dbraw/zinc/60/18/64/411601864.db2.gz IGAHDUJLTXMTMH-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO Cc1nsc(NC(=O)C2CCC([NH3+])CC2)n1 ZINC000131797986 411621841 /nfs/dbraw/zinc/62/18/41/411621841.db2.gz AMEAHAPLHRRSTP-UHFFFAOYSA-N 1 0 240.332 1.303 10 0 BDAERO CCOc1cc([C@@H]([NH3+])CO)ccc1OC(F)F ZINC000038124663 170528832 /nfs/dbraw/zinc/52/88/32/170528832.db2.gz NUHRAAJDVSTVQQ-QMMMGPOBSA-N 1 0 247.241 1.679 10 0 BDAERO CCOc1ccc(-n2cc(C[NH3+])nn2)cc1 ZINC000050224085 170534246 /nfs/dbraw/zinc/53/42/46/170534246.db2.gz WPEPZZAZDYEAIM-UHFFFAOYSA-N 1 0 218.260 1.125 10 0 BDAERO CCOc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)cc1 ZINC000036160638 170559821 /nfs/dbraw/zinc/55/98/21/170559821.db2.gz SPQRWOAWFOWRQV-QWHCGFSZSA-N 1 0 221.300 1.871 10 0 BDAERO CCOc1ccc([C@H](O)C[NH2+]C2CC2)cc1 ZINC000032013884 170564355 /nfs/dbraw/zinc/56/43/55/170564355.db2.gz RGPLYRGTDBQETN-CYBMUJFWSA-N 1 0 221.300 1.871 10 0 BDAERO CCOc1cccc(N2CCC[C@@H]2C[NH3+])n1 ZINC000082458633 170580743 /nfs/dbraw/zinc/58/07/43/170580743.db2.gz WTHHJGZQYDRPNH-SNVBAGLBSA-N 1 0 221.304 1.408 10 0 BDAERO CCOc1ccccc1[C@@H](C[NH3+])CCO ZINC000041218565 170598107 /nfs/dbraw/zinc/59/81/07/170598107.db2.gz MQOGJYKJUKAJHI-SNVBAGLBSA-N 1 0 209.289 1.510 10 0 BDAERO COC(C)(C)CNC(=O)C1CCC([NH3+])CC1 ZINC000133417566 411749055 /nfs/dbraw/zinc/74/90/55/411749055.db2.gz GQGUXIOSDHUIIW-UHFFFAOYSA-N 1 0 228.336 1.045 10 0 BDAERO CCOc1ncnc(Nc2cc[nH+]cc2)c1N ZINC000040687643 170605460 /nfs/dbraw/zinc/60/54/60/170605460.db2.gz ZXZANKKYWDGQJY-UHFFFAOYSA-N 1 0 231.259 1.596 10 0 BDAERO CCOc1nccnc1NC[C@@H]1CCC[NH2+]1 ZINC000515342464 411721104 /nfs/dbraw/zinc/72/11/04/411721104.db2.gz PAVIBGMCBZFHSJ-VIFPVBQESA-N 1 0 222.292 1.039 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cc(N)n[nH]1 ZINC000616599693 411865586 /nfs/dbraw/zinc/86/55/86/411865586.db2.gz USJVUUWJKLIYMK-SNVBAGLBSA-N 1 0 224.308 1.164 10 0 BDAERO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H](C)[C@H]1O ZINC000661620156 411819994 /nfs/dbraw/zinc/81/99/94/411819994.db2.gz HRIFUQWVVOWWNN-ITGHMWBKSA-N 1 0 241.375 1.486 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@@H](c2c[nH]nc2N)C1 ZINC000616654874 411866055 /nfs/dbraw/zinc/86/60/55/411866055.db2.gz QSPYBESSNAKOTL-SNVBAGLBSA-N 1 0 222.336 1.970 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1cnccn1 ZINC000383421638 487620800 /nfs/dbraw/zinc/62/08/00/487620800.db2.gz PBIPWDZQFWJLDB-MNOVXSKESA-N 1 0 218.304 1.150 10 0 BDAERO CC[C@@H](C)NC(=O)[C@@H](CC[NH3+])c1ccco1 ZINC000076611711 170744714 /nfs/dbraw/zinc/74/47/14/170744714.db2.gz VJQGKXVBCWRUKI-ZJUUUORDSA-N 1 0 224.304 1.627 10 0 BDAERO CC[C@@H](C)[NH2+]C[C@H](C)N(C)Cc1cnn(C)c1 ZINC000053497419 170752478 /nfs/dbraw/zinc/75/24/78/170752478.db2.gz KSGHHVXSZPXFBG-NEPJUHHUSA-N 1 0 238.379 1.629 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@H](n2ccc(N)n2)C1 ZINC000616650071 411860594 /nfs/dbraw/zinc/86/05/94/411860594.db2.gz SDZHUSBSYHYOHI-NSHDSACASA-N 1 0 238.335 1.485 10 0 BDAERO CCc1cc(NCc2ccccc2)nc(N)[nH+]1 ZINC000575519414 411888167 /nfs/dbraw/zinc/88/81/67/411888167.db2.gz SFRXWHPIDAVACI-UHFFFAOYSA-N 1 0 228.299 1.655 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1ccnc(N)c1 ZINC000616596627 411893136 /nfs/dbraw/zinc/89/31/36/411893136.db2.gz FJLZUBDGPZADTL-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)C1([NH3+])CCCC1 ZINC000225544623 487621085 /nfs/dbraw/zinc/62/10/85/487621085.db2.gz LXIITZUGGXEFTK-UWVGGRQHSA-N 1 0 210.321 1.563 10 0 BDAERO CC[C@@H](C[NH3+])CC(=O)NC1CCCCC1 ZINC000076585565 170821798 /nfs/dbraw/zinc/82/17/98/170821798.db2.gz NXWAJSXKULYSDJ-SNVBAGLBSA-N 1 0 212.337 1.810 10 0 BDAERO Cc1c(C)c(I)cnc1N ZINC000585681301 411934856 /nfs/dbraw/zinc/93/48/56/411934856.db2.gz SYWBFPKIKFSCFF-UHFFFAOYSA-N 1 0 248.067 1.885 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@H]1c1c[nH]nc1N ZINC000616615058 411871288 /nfs/dbraw/zinc/87/12/88/411871288.db2.gz AOZQJOHKSNKKHJ-JTQLQIEISA-N 1 0 208.309 1.927 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000309910470 170841825 /nfs/dbraw/zinc/84/18/25/170841825.db2.gz MKRXGKJUOFFYLS-WRWGMCAJSA-N 1 0 227.348 1.551 10 0 BDAERO CC[C@@H]([NH3+])Cc1noc(-c2ccncc2)n1 ZINC000054184686 170866123 /nfs/dbraw/zinc/86/61/23/170866123.db2.gz NZEZQVPCVZTMFP-SECBINFHSA-N 1 0 218.260 1.411 10 0 BDAERO c1cnc2nc(NC[C@@H]3CC[NH2+]C3)ccc2n1 ZINC000133779324 411945685 /nfs/dbraw/zinc/94/56/85/411945685.db2.gz JOVXJHCYALHZOZ-SECBINFHSA-N 1 0 229.287 1.046 10 0 BDAERO Nc1ccc([C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000616616778 411960626 /nfs/dbraw/zinc/96/06/26/411960626.db2.gz XSDVMJWTSXLYRP-NSHDSACASA-N 1 0 221.304 1.183 10 0 BDAERO CC(C)Oc1cncc(NC[C@H]2CC[NH2+]C2)n1 ZINC000133802410 411961080 /nfs/dbraw/zinc/96/10/80/411961080.db2.gz YFGZVRMNBSYRFM-JTQLQIEISA-N 1 0 236.319 1.285 10 0 BDAERO CCO[C@@H]1CCCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)C1 ZINC000220108825 412055357 /nfs/dbraw/zinc/05/53/57/412055357.db2.gz SVXVCIYRZAHRNK-QJPTWQEYSA-N 1 0 242.363 1.387 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)N1CCOCC1 ZINC000309458590 171043701 /nfs/dbraw/zinc/04/37/01/171043701.db2.gz NFLFETIEVCZMHS-XQQFMLRXSA-N 1 0 226.364 1.485 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309720110 171044749 /nfs/dbraw/zinc/04/47/49/171044749.db2.gz VRTBAJMOPNRWSQ-OUAUKWLOSA-N 1 0 224.348 1.822 10 0 BDAERO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1 ZINC000084887782 171075238 /nfs/dbraw/zinc/07/52/38/171075238.db2.gz VACVPDFFRSEHPU-GHMZBOCLSA-N 1 0 214.353 1.220 10 0 BDAERO CC[C@@H]1CN(CC(=O)c2cccn2C)CC[N@@H+]1C ZINC000104137161 171076574 /nfs/dbraw/zinc/07/65/74/171076574.db2.gz CYBMMVRUJDLZBA-GFCCVEGCSA-N 1 0 249.358 1.234 10 0 BDAERO CC[C@@H]1CN(CCOC)[C@H](CC)C[NH2+]1 ZINC000082936515 171081570 /nfs/dbraw/zinc/08/15/70/171081570.db2.gz VSJTTWUWGGCURA-GHMZBOCLSA-N 1 0 200.326 1.095 10 0 BDAERO CC[C@@H]1CN(Cc2ccc(O)c(N)c2)CC[N@@H+]1C ZINC000104129533 171087289 /nfs/dbraw/zinc/08/72/89/171087289.db2.gz GIEXCJPZNILEED-GFCCVEGCSA-N 1 0 249.358 1.500 10 0 BDAERO CC[C@@H]1CN[C@H](C)C[N@@H+]1CCCn1ccnc1 ZINC000083364158 171103502 /nfs/dbraw/zinc/10/35/02/171103502.db2.gz YVSWLSUWXDHLDQ-CHWSQXEVSA-N 1 0 236.363 1.346 10 0 BDAERO CC[C@@H]1COCCN1C[C@@H](C)C[NH2+]CC(C)C ZINC000052481405 171106230 /nfs/dbraw/zinc/10/62/30/171106230.db2.gz YLDASPUMDIBGSS-UONOGXRCSA-N 1 0 242.407 1.979 10 0 BDAERO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCO[C@@H]2C)CCO1 ZINC000309432037 171129626 /nfs/dbraw/zinc/12/96/26/171129626.db2.gz ABZCBMFPFOEOAU-FDYHWXHSSA-N 1 0 227.348 1.959 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000372897779 171179112 /nfs/dbraw/zinc/17/91/12/171179112.db2.gz QBUJISNOEAKAGD-GFCCVEGCSA-N 1 0 215.337 1.648 10 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1.679 10 0 BDAERO CC[C@H](C)[NH2+][C@]1(C(N)=O)CCOc2ccccc21 ZINC000038065005 171349422 /nfs/dbraw/zinc/34/94/22/171349422.db2.gz VWTDEUAKYDPMAC-IINYFYTJSA-N 1 0 248.326 1.538 10 0 BDAERO CC[C@H](C)S(=O)(=O)C1CCC([NH3+])CC1 ZINC000055143919 171356935 /nfs/dbraw/zinc/35/69/35/171356935.db2.gz NXTBKPVCDDAXJL-IDKOKCKLSA-N 1 0 219.350 1.470 10 0 BDAERO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000309883778 171383120 /nfs/dbraw/zinc/38/31/20/171383120.db2.gz WZNMSNRKNAZBAE-NHCYSSNCSA-N 1 0 225.336 1.857 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000042554627 171390489 /nfs/dbraw/zinc/39/04/89/171390489.db2.gz LFRYIHYCBLDLAQ-GARJFASQSA-N 1 0 240.347 1.547 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020133310 171390601 /nfs/dbraw/zinc/39/06/01/171390601.db2.gz OEQRCJNYXISDFM-LPEHRKFASA-N 1 0 219.350 1.198 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392460 171396337 /nfs/dbraw/zinc/39/63/37/171396337.db2.gz BBPPSSJRUFWNOI-ZANVPECISA-N 1 0 247.342 1.923 10 0 BDAERO CC[C@H](C[NH3+])NC(=O)c1c(F)cccc1Cl ZINC000074534158 171431433 /nfs/dbraw/zinc/43/14/33/171431433.db2.gz XLULWIHKQHPFHZ-SSDOTTSWSA-N 1 0 244.697 1.946 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1cc(OC)ccc1OC ZINC000032015016 171487820 /nfs/dbraw/zinc/48/78/20/171487820.db2.gz GIZGICQUTNOBON-JQWIXIFHSA-N 1 0 225.288 1.475 10 0 BDAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCCCC1 ZINC000043126539 171488246 /nfs/dbraw/zinc/48/82/46/171488246.db2.gz IPSWWUCHBBDEOX-QWHCGFSZSA-N 1 0 236.363 1.684 10 0 BDAERO CC[C@H]([NH3+])c1ccc2c(c1)oc(=O)n2C ZINC000051361959 171490301 /nfs/dbraw/zinc/49/03/01/171490301.db2.gz WAXDVNDFVBLEDT-QMMMGPOBSA-N 1 0 206.245 1.541 10 0 BDAERO CC[C@H]([NH2+]C)c1nnc(C2CCOCC2)o1 ZINC000061673888 171514530 /nfs/dbraw/zinc/51/45/30/171514530.db2.gz FISYDWRYLLGZOJ-VIFPVBQESA-N 1 0 225.292 1.634 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1nc(Cl)cs1 ZINC000575550789 412164501 /nfs/dbraw/zinc/16/45/01/412164501.db2.gz WETRDUVYVSALTH-NTSWFWBYSA-N 1 0 217.725 1.959 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662647793 412255521 /nfs/dbraw/zinc/25/55/21/412255521.db2.gz ROZGPDPJLIDXBY-QWRGUYRKSA-N 1 0 236.359 1.953 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NCC1=CCCC1 ZINC000662710294 412278989 /nfs/dbraw/zinc/27/89/89/412278989.db2.gz WXDFDYKCRBWHDK-GFCCVEGCSA-N 1 0 222.332 1.745 10 0 BDAERO COc1cccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1C ZINC000662571467 412225360 /nfs/dbraw/zinc/22/53/60/412225360.db2.gz PGFORUDRHVMOOX-JOYOIKCWSA-N 1 0 248.326 1.423 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cscn1 ZINC000662634018 412249813 /nfs/dbraw/zinc/24/98/13/412249813.db2.gz CNGHDOVCDIOLKV-JGVFFNPUSA-N 1 0 227.333 1.448 10 0 BDAERO CO[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000662836297 412316663 /nfs/dbraw/zinc/31/66/63/412316663.db2.gz YFVFQADCTGITFN-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@H]1COCCN1CC(C)(C)[NH2+]C ZINC000061319613 171670775 /nfs/dbraw/zinc/67/07/75/171670775.db2.gz NPDVICZNFNHYIK-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO CCC(C)(C)[C@@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000662855488 412325718 /nfs/dbraw/zinc/32/57/18/412325718.db2.gz VERMNHGZIMBQOK-MNOVXSKESA-N 1 0 242.363 1.163 10 0 BDAERO CC(F)(F)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000662898096 412338479 /nfs/dbraw/zinc/33/84/79/412338479.db2.gz KUABXHLLVGGWCF-JGVFFNPUSA-N 1 0 220.263 1.133 10 0 BDAERO CC(F)(F)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000662897366 412338912 /nfs/dbraw/zinc/33/89/12/412338912.db2.gz FEEULFYDKDOFMP-YUMQZZPRSA-N 1 0 220.263 1.275 10 0 BDAERO Cc1cn(C)nc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000662970574 412360770 /nfs/dbraw/zinc/36/07/70/412360770.db2.gz LWOULKMNBPWQNP-VIFPVBQESA-N 1 0 224.308 1.040 10 0 BDAERO CCC[C@@H](C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662975581 412361349 /nfs/dbraw/zinc/36/13/49/412361349.db2.gz IWKCZKZZKXZYNT-HTQZYQBOSA-N 1 0 240.269 1.771 10 0 BDAERO CN(C(=O)c1ccccn1)[C@H](C[NH3+])C(F)(F)F ZINC000662980465 412362897 /nfs/dbraw/zinc/36/28/97/412362897.db2.gz IBPLDYWAOWEPKL-MRVPVSSYSA-N 1 0 247.220 1.043 10 0 BDAERO Fc1ccc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000663274401 412404302 /nfs/dbraw/zinc/40/43/02/412404302.db2.gz PZRUZCDTOFLYMO-UHFFFAOYSA-N 1 0 207.252 1.385 10 0 BDAERO CCc1ncnc(NCC23CC(C2)C[NH2+]3)c1F ZINC000663274039 412404349 /nfs/dbraw/zinc/40/43/49/412404349.db2.gz LCFIHMBCVOYNPV-UHFFFAOYSA-N 1 0 236.294 1.342 10 0 BDAERO CCCc1nccnc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000663273114 412404351 /nfs/dbraw/zinc/40/43/51/412404351.db2.gz XINIHSYTUWGSQG-CQSZACIVSA-N 1 0 246.358 1.619 10 0 BDAERO CCCc1nccnc1NC[C@H]([NH3+])CC ZINC000663275468 412405332 /nfs/dbraw/zinc/40/53/32/412405332.db2.gz XRHVMSKHAIOYPJ-SECBINFHSA-N 1 0 208.309 1.578 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CCCCC1 ZINC000663309104 412414663 /nfs/dbraw/zinc/41/46/63/412414663.db2.gz SATCVJZYEGIPFS-CMPLNLGQSA-N 1 0 224.348 1.681 10 0 BDAERO CCc1ccc(N(C)C(=O)C(C)(C)[NH3+])cc1 ZINC000049988745 171815714 /nfs/dbraw/zinc/81/57/14/171815714.db2.gz GHAQQMWNIUVFBJ-UHFFFAOYSA-N 1 0 220.316 1.949 10 0 BDAERO CCc1ccc(N2C[C@H](C[NH2+]C)OC2=O)cc1 ZINC000077369145 171816605 /nfs/dbraw/zinc/81/66/05/171816605.db2.gz RTNQBOZVAKSECT-LBPRGKRZSA-N 1 0 234.299 1.794 10 0 BDAERO CCc1ccc(OC)c(OCCC[NH3+])c1 ZINC000107284435 171826197 /nfs/dbraw/zinc/82/61/97/171826197.db2.gz IIDKIDOXHSXOEA-UHFFFAOYSA-N 1 0 209.289 1.985 10 0 BDAERO CCC1(CNC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000225810949 487623804 /nfs/dbraw/zinc/62/38/04/487623804.db2.gz QIXNZKALWJNKDF-SNVBAGLBSA-N 1 0 212.337 1.666 10 0 BDAERO CCc1ccccc1O[C@@H]1COCC[C@@H]1[NH3+] ZINC000036306209 171891049 /nfs/dbraw/zinc/89/10/49/171891049.db2.gz GNUXGGPLJUVQJH-WCQYABFASA-N 1 0 221.300 1.744 10 0 BDAERO CCc1nc([C@]2(N)CC[N@H+](C)C2)sc1C ZINC000061991804 172008666 /nfs/dbraw/zinc/00/86/66/172008666.db2.gz DIQKULYNLAELSZ-NSHDSACASA-N 1 0 225.361 1.503 10 0 BDAERO CCc1nc2ccccc2n1CCOCC[NH3+] ZINC000057798923 172013162 /nfs/dbraw/zinc/01/31/62/172013162.db2.gz CQXYSSKOXGDSKD-UHFFFAOYSA-N 1 0 233.315 1.574 10 0 BDAERO CCc1nc2n(n1)C[C@H]([NH2+]C[C@H](C)CC)CC2 ZINC000120541151 172015044 /nfs/dbraw/zinc/01/50/44/172015044.db2.gz OABIDCYDPMWBQG-GHMZBOCLSA-N 1 0 236.363 1.791 10 0 BDAERO CCc1nc2n(n1)C[C@@H]([NH2+]CCC(C)C)CC2 ZINC000237063932 172015358 /nfs/dbraw/zinc/01/53/58/172015358.db2.gz DIQNWCBNBONPOS-NSHDSACASA-N 1 0 236.363 1.791 10 0 BDAERO CCc1nnc2n1C[C@@H]([NH2+]CC(C)C)CC2 ZINC000309459180 172068567 /nfs/dbraw/zinc/06/85/67/172068567.db2.gz NLTLDONGWVTDLG-JTQLQIEISA-N 1 0 222.336 1.401 10 0 BDAERO CCn1cc(CN2CCC[C@H]2C[NH3+])c(C)n1 ZINC000020315834 172164741 /nfs/dbraw/zinc/16/47/41/172164741.db2.gz LNCVDERXRFTSGU-LBPRGKRZSA-N 1 0 222.336 1.135 10 0 BDAERO CCn1cc(C[C@@H]2CCCC[C@@H]2[NH3+])cn1 ZINC000050540740 172176697 /nfs/dbraw/zinc/17/66/97/172176697.db2.gz PQMWROOZUBUMLH-RYUDHWBXSA-N 1 0 207.321 1.963 10 0 BDAERO CCn1cc([C@](O)([C@@H](C)[NH3+])C(F)(F)F)cn1 ZINC000062784820 172198675 /nfs/dbraw/zinc/19/86/75/172198675.db2.gz YNXARUSDJIXIQG-HTRCEHHLSA-N 1 0 237.225 1.000 10 0 BDAERO CCn1cccc1C[NH2+]CCNC(=O)C(C)C ZINC000091022826 172207778 /nfs/dbraw/zinc/20/77/78/172207778.db2.gz KOMCZZBCPOBXBS-UHFFFAOYSA-N 1 0 237.347 1.370 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)CC[S@](C)=O ZINC000230089357 172208714 /nfs/dbraw/zinc/20/87/14/172208714.db2.gz FZASUIDNWZZXHW-ZBEGNZNMSA-N 1 0 242.388 1.755 10 0 BDAERO CCn1ccnc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000051920899 172223594 /nfs/dbraw/zinc/22/35/94/172223594.db2.gz UZGZHNQJUBRJEZ-GFCCVEGCSA-N 1 0 234.347 1.087 10 0 BDAERO CCn1ccnc1N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000053712654 172225497 /nfs/dbraw/zinc/22/54/97/172225497.db2.gz JEYSSMNYLGBSIN-NXEZZACHSA-N 1 0 208.309 1.090 10 0 BDAERO CCn1ccnc1N1CCCC[C@H]1C[NH2+]C ZINC000053706784 172225695 /nfs/dbraw/zinc/22/56/95/172225695.db2.gz BNIOCBUWMLXEBV-NSHDSACASA-N 1 0 222.336 1.481 10 0 BDAERO CCn1cc[nH+]c1N[C@H]1CCCC[C@H]1O ZINC000052006196 172227936 /nfs/dbraw/zinc/22/79/36/172227936.db2.gz HUOCEJGYYDZUPU-VHSXEESVSA-N 1 0 209.293 1.618 10 0 BDAERO CCn1nnc(C[NH3+])c1C(Cl)(Cl)Cl ZINC000062297790 172287161 /nfs/dbraw/zinc/28/71/61/172287161.db2.gz AAGSOGXQEDGDSU-UHFFFAOYSA-N 1 0 243.525 1.583 10 0 BDAERO CN(C(=O)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020262082 172308355 /nfs/dbraw/zinc/30/83/55/172308355.db2.gz DIASLHSZYHIPSH-UHFFFAOYSA-N 1 0 233.098 1.915 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C(C)C)C1CC1 ZINC000324516193 487624425 /nfs/dbraw/zinc/62/44/25/487624425.db2.gz JMRPNNPZRVRTQK-YPMHNXCESA-N 1 0 226.364 1.911 10 0 BDAERO CN(C(=O)[C@@](C)([NH3+])C1CC1)C1CCCCC1 ZINC000037478778 172331138 /nfs/dbraw/zinc/33/11/38/172331138.db2.gz LLODXWXWJHRBQC-ZDUSSCGKSA-N 1 0 224.348 1.905 10 0 BDAERO CN(C(=O)c1cc(F)c(F)c(F)c1)C1C[NH2+]C1 ZINC000090289685 172337595 /nfs/dbraw/zinc/33/75/95/172337595.db2.gz VXHOBPIYWCZFKN-UHFFFAOYSA-N 1 0 244.216 1.148 10 0 BDAERO CN(C(=O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000037470093 172342760 /nfs/dbraw/zinc/34/27/60/172342760.db2.gz SMNQVMHCEBQEHE-GFCCVEGCSA-N 1 0 218.300 1.511 10 0 BDAERO CN(C)C(C)(C)C[NH2+]CC1CCOCC1 ZINC000052172547 172395656 /nfs/dbraw/zinc/39/56/56/172395656.db2.gz DFDNKXQFDNEFID-UHFFFAOYSA-N 1 0 214.353 1.343 10 0 BDAERO CN(CCC(N)=[NH2+])c1ncccc1C(F)(F)F ZINC000019834366 172666465 /nfs/dbraw/zinc/66/64/65/172666465.db2.gz USZUCPUCHQQLQA-UHFFFAOYSA-N 1 0 246.236 1.863 10 0 BDAERO C[N@H+](CCCC(N)=O)Cc1ccccc1 ZINC000033433060 172693045 /nfs/dbraw/zinc/69/30/45/172693045.db2.gz NRKMODNJAGCNAO-UHFFFAOYSA-N 1 0 206.289 1.384 10 0 BDAERO CN(Cc1cscn1)c1ncccc1C(N)=[NH2+] ZINC000042866062 172923859 /nfs/dbraw/zinc/92/38/59/172923859.db2.gz XRBKJLDPAMEIJW-UHFFFAOYSA-N 1 0 247.327 1.459 10 0 BDAERO CN(c1ccc(C(N)=[NH2+])cc1)c1ncccn1 ZINC000061951958 172946761 /nfs/dbraw/zinc/94/67/61/172946761.db2.gz DNXVUGKAKSPNEQ-UHFFFAOYSA-N 1 0 227.271 1.529 10 0 BDAERO CN(c1cccc(C[NH3+])c1)c1cnccn1 ZINC000061951070 172948612 /nfs/dbraw/zinc/94/86/12/172948612.db2.gz FTYZOUYHKBQKNF-UHFFFAOYSA-N 1 0 214.272 1.703 10 0 BDAERO C[NH+]1CCC(c2ccccc2CO)CC1 ZINC000075906157 173001006 /nfs/dbraw/zinc/00/10/06/173001006.db2.gz XZEFTCMILCCBAL-UHFFFAOYSA-N 1 0 205.301 1.988 10 0 BDAERO C[NH+]1CCC2(CC1)C[C@H](O)CCS2 ZINC000082381960 173001590 /nfs/dbraw/zinc/00/15/90/173001590.db2.gz AEGZCUPBIQDWBA-SECBINFHSA-N 1 0 201.335 1.339 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CNc1cccnn1 ZINC000052831284 173003821 /nfs/dbraw/zinc/00/38/21/173003821.db2.gz GVWVZUAHCZIICG-SNVBAGLBSA-N 1 0 206.293 1.373 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]Cc1ccccn1 ZINC000044561744 173010192 /nfs/dbraw/zinc/01/01/92/173010192.db2.gz DTOOYUYQAWYNKO-ZDUSSCGKSA-N 1 0 219.332 1.656 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]Cc1ccncn1 ZINC000054789851 173010519 /nfs/dbraw/zinc/01/05/19/173010519.db2.gz JGGIENSYLDRKSB-LBPRGKRZSA-N 1 0 220.320 1.051 10 0 BDAERO C[N@@H+]1CCC[C@@H](NC2=[NH+]C(C)(C)CS2)C1 ZINC000040715970 173020553 /nfs/dbraw/zinc/02/05/53/173020553.db2.gz RRTINBBYSNQSEJ-SECBINFHSA-N 1 0 227.377 1.552 10 0 BDAERO CN(C)c1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072187539 173022822 /nfs/dbraw/zinc/02/28/22/173022822.db2.gz GEUZYTRKIUSBKQ-SNVBAGLBSA-N 1 0 220.320 1.352 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CCO)C1 ZINC000336697139 173027885 /nfs/dbraw/zinc/02/78/85/173027885.db2.gz HVXSSAVIFAXPEG-QWHCGFSZSA-N 1 0 226.364 1.175 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CCOc1ccc(N)cn1 ZINC000040240436 173029532 /nfs/dbraw/zinc/02/95/32/173029532.db2.gz YHUCIKDXNWDNFE-LLVKDONJSA-N 1 0 221.304 1.527 10 0 BDAERO C[N@@H+]1CCC[C@H](Cn2ccccc2=O)C1 ZINC000013686293 173044350 /nfs/dbraw/zinc/04/43/50/173044350.db2.gz FMWYSRDSTFSEEU-NSHDSACASA-N 1 0 206.289 1.190 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2cc(F)ccc2N)C1 ZINC000052120968 173046521 /nfs/dbraw/zinc/04/65/21/173046521.db2.gz QMVAMKZFYGASGT-JTQLQIEISA-N 1 0 223.295 1.914 10 0 BDAERO CN1CC[N@H+](CC2(CO)CCCC2)CC1(C)C ZINC000104128669 173080198 /nfs/dbraw/zinc/08/01/98/173080198.db2.gz OJTUYVSJOVBAHJ-UHFFFAOYSA-N 1 0 240.391 1.565 10 0 BDAERO CN1CCN(Cc2ccc(F)cc2C[NH3+])C1=O ZINC000071263898 173086500 /nfs/dbraw/zinc/08/65/00/173086500.db2.gz CXQJKQPQOPCIEV-UHFFFAOYSA-N 1 0 237.278 1.152 10 0 BDAERO CCc1cc(NC(=O)[C@]2(C)CCCC[NH2+]2)n[nH]1 ZINC000228333772 487625955 /nfs/dbraw/zinc/62/59/55/487625955.db2.gz HTOXCWDHHDPUGU-LBPRGKRZSA-N 1 0 236.319 1.443 10 0 BDAERO CN1CCN(Cc2occc2C[NH2+]C2CC2)CC1 ZINC000052379302 173089167 /nfs/dbraw/zinc/08/91/67/173089167.db2.gz PKXJWPLKMDIYNB-UHFFFAOYSA-N 1 0 249.358 1.279 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000308837284 173109130 /nfs/dbraw/zinc/10/91/30/173109130.db2.gz WVCVYMDURMYFKD-MNOVXSKESA-N 1 0 212.337 1.095 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1N ZINC000104153482 173113683 /nfs/dbraw/zinc/11/36/83/173113683.db2.gz JNBORQABKBPOKU-LLVKDONJSA-N 1 0 247.342 1.293 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2nccnc2Cl)C1 ZINC000043537860 173117253 /nfs/dbraw/zinc/11/72/53/173117253.db2.gz VTANOOLGOCTRKF-QMMMGPOBSA-N 1 0 226.711 1.494 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2c(N)ccc(F)c2F)C1 ZINC000053165646 173118152 /nfs/dbraw/zinc/11/81/52/173118152.db2.gz JRGNKCYQTNHDMS-QMMMGPOBSA-N 1 0 241.285 1.911 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cncc(Cl)n2)C1 ZINC000043538035 173126597 /nfs/dbraw/zinc/12/65/97/173126597.db2.gz JVXBIOOLTLEEIL-SSDOTTSWSA-N 1 0 212.684 1.246 10 0 BDAERO CN1CC[C@H](C[NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000083072179 173144659 /nfs/dbraw/zinc/14/46/59/173144659.db2.gz IIMAWJNZLCFZBN-ZWNOBZJWSA-N 1 0 230.315 1.286 10 0 BDAERO C[N@@H+]1CC[C@H](CN[C@@H]2COc3cc(O)ccc32)C1 ZINC000037646234 173146504 /nfs/dbraw/zinc/14/65/04/173146504.db2.gz IRBHUEHGLQXBIP-ZWNOBZJWSA-N 1 0 248.326 1.367 10 0 BDAERO CN1CC[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000042546667 173152731 /nfs/dbraw/zinc/15/27/31/173152731.db2.gz YEJWLNXURWICPS-STQMWFEESA-N 1 0 238.306 1.153 10 0 BDAERO CN(C)c1ccc(N[C@H]2CC[N@H+](C)C2)cn1 ZINC000061985452 173154341 /nfs/dbraw/zinc/15/43/41/173154341.db2.gz LXQYHEDGKRADLB-NSHDSACASA-N 1 0 220.320 1.264 10 0 BDAERO C[N@@H+]1CC[C@](CO)(Nc2cccc(Cl)c2)C1 ZINC000061992109 173163525 /nfs/dbraw/zinc/16/35/25/173163525.db2.gz DLVSOKITEXSVLH-LBPRGKRZSA-N 1 0 240.734 1.819 10 0 BDAERO CNC(=O)COc1ccc(C)cc1[C@H](C)[NH2+]C ZINC000035629593 173279292 /nfs/dbraw/zinc/27/92/92/173279292.db2.gz FOUVLBUWDGFJQM-JTQLQIEISA-N 1 0 236.315 1.400 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1scnc1C ZINC000042562099 173295232 /nfs/dbraw/zinc/29/52/32/173295232.db2.gz UMQQLFFKSNCZEP-JGVFFNPUSA-N 1 0 227.333 1.237 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000042562037 173295272 /nfs/dbraw/zinc/29/52/72/173295272.db2.gz KIXGPAIDNIANBH-VHSXEESVSA-N 1 0 248.326 1.407 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000042561589 173295379 /nfs/dbraw/zinc/29/53/79/173295379.db2.gz HRKJAZOEOOGZHT-LDYMZIIASA-N 1 0 234.299 1.104 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccccc1[C@H](C)[NH3+] ZINC000020419408 173295994 /nfs/dbraw/zinc/29/59/94/173295994.db2.gz XQAFNKXWTQBCEA-DTWKUNHWSA-N 1 0 222.288 1.220 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044386211 173303151 /nfs/dbraw/zinc/30/31/51/173303151.db2.gz LRHRXATXXKQRIN-IUCAKERBSA-N 1 0 224.304 1.682 10 0 BDAERO CNC(=O)[C@H](C)n1c(N)[nH+]c2cc(F)ccc21 ZINC000042572350 173304299 /nfs/dbraw/zinc/30/42/99/173304299.db2.gz ZETAAWSKIOPVSZ-LURJTMIESA-N 1 0 236.250 1.065 10 0 BDAERO CNC(=O)[C@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000020419739 173304346 /nfs/dbraw/zinc/30/43/46/173304346.db2.gz HJSFYMFBCRXQHG-BDAKNGLRSA-N 1 0 222.288 1.220 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(CC(C)C)C1CC1 ZINC000061317141 173317581 /nfs/dbraw/zinc/31/75/81/173317581.db2.gz BYUOUBURBUIKRN-UHFFFAOYSA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccco1 ZINC000061300446 173317629 /nfs/dbraw/zinc/31/76/29/173317629.db2.gz DBHRHSZCDXNKKY-UHFFFAOYSA-N 1 0 210.277 1.236 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000061319193 173317746 /nfs/dbraw/zinc/31/77/46/173317746.db2.gz NLLMUNCOAAHFKM-UWVGGRQHSA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000061300402 173318194 /nfs/dbraw/zinc/31/81/94/173318194.db2.gz QHDHDWGWCBVGPE-VHSXEESVSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000061300206 173318235 /nfs/dbraw/zinc/31/82/35/173318235.db2.gz DKDQCDMMMCYULL-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000061300401 173318311 /nfs/dbraw/zinc/31/83/11/173318311.db2.gz QHDHDWGWCBVGPE-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1csc(C)n1 ZINC000061318754 173318406 /nfs/dbraw/zinc/31/84/06/173318406.db2.gz VBQICKKTPISNER-UHFFFAOYSA-N 1 0 227.333 1.066 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)cn1 ZINC000061300324 173318408 /nfs/dbraw/zinc/31/84/08/173318408.db2.gz UAQUYOAUHIPUMV-UHFFFAOYSA-N 1 0 227.695 1.672 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC[C@H]1CCCC[C@H]1C ZINC000061318958 173318526 /nfs/dbraw/zinc/31/85/26/173318526.db2.gz PVWGGCBUISKCAI-GHMZBOCLSA-N 1 0 226.364 1.927 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C)cn1 ZINC000061300295 173318682 /nfs/dbraw/zinc/31/86/82/173318682.db2.gz DYHGTBLMZSBAAK-UHFFFAOYSA-N 1 0 207.277 1.327 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccccc1 ZINC000061300040 173318758 /nfs/dbraw/zinc/31/87/58/173318758.db2.gz ZNHOOOQGBLSJRY-SNVBAGLBSA-N 1 0 220.316 1.862 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc2c[nH]nc21 ZINC000061316444 173318997 /nfs/dbraw/zinc/31/89/97/173318997.db2.gz OGJNJAPWTZJHIH-UHFFFAOYSA-N 1 0 232.287 1.499 10 0 BDAERO C[NH2+]C(C)(C)c1nc(-c2ccco2)no1 ZINC000061151492 173320774 /nfs/dbraw/zinc/32/07/74/173320774.db2.gz QHSRRSKQALRCEV-UHFFFAOYSA-N 1 0 207.233 1.784 10 0 BDAERO C[NH2+]C1(c2nc(C)cs2)CCOCC1 ZINC000041060541 173321946 /nfs/dbraw/zinc/32/19/46/173321946.db2.gz JDNRNWWUSMXNIU-UHFFFAOYSA-N 1 0 212.318 1.677 10 0 BDAERO C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000036880503 173322184 /nfs/dbraw/zinc/32/21/84/173322184.db2.gz RUDRJBSOTRHNKF-AGVGLQIMSA-N 1 0 210.321 1.289 10 0 BDAERO CNC1=[NH+]C[C@@H](c2ccccc2)CN1C ZINC000027750556 173322313 /nfs/dbraw/zinc/32/23/13/173322313.db2.gz QCESLFTUJXAQLE-LLVKDONJSA-N 1 0 203.289 1.291 10 0 BDAERO C[NH2+]C1(c2nc(C)c(C)s2)CCOCC1 ZINC000041060625 173322375 /nfs/dbraw/zinc/32/23/75/173322375.db2.gz IIDGYRDIOUBJPX-UHFFFAOYSA-N 1 0 226.345 1.985 10 0 BDAERO C[NH2+]C1[C@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000085224240 173324055 /nfs/dbraw/zinc/32/40/55/173324055.db2.gz ONIWGZRBYOFFRX-FUNVUKJBSA-N 1 0 202.301 1.336 10 0 BDAERO C[NH2+]C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000095071545 173324340 /nfs/dbraw/zinc/32/43/40/173324340.db2.gz MMBAGEVMTFEGSU-UHFFFAOYSA-N 1 0 230.315 1.751 10 0 BDAERO C[NH2+]CC(=O)NCCCc1ccc(F)c(F)c1 ZINC000077389951 173328437 /nfs/dbraw/zinc/32/84/37/173328437.db2.gz VXNJCSSBQKPNRT-UHFFFAOYSA-N 1 0 242.269 1.233 10 0 BDAERO C[NH2+]CC(=O)NCCCc1cc(F)ccc1F ZINC000077389945 173328604 /nfs/dbraw/zinc/32/86/04/173328604.db2.gz XRCIXPKEXCRTNA-UHFFFAOYSA-N 1 0 242.269 1.233 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](c1cc(C)ccn1)C1CC1 ZINC000071755316 173331786 /nfs/dbraw/zinc/33/17/86/173331786.db2.gz FLVPOCHEVMPBHZ-CYBMUJFWSA-N 1 0 233.315 1.177 10 0 BDAERO C[NH2+]CC(=O)N[C@H](c1cc(C)ccn1)C1CC1 ZINC000071755317 173332856 /nfs/dbraw/zinc/33/28/56/173332856.db2.gz FLVPOCHEVMPBHZ-ZDUSSCGKSA-N 1 0 233.315 1.177 10 0 BDAERO C[NH2+]CC1(CC2CCOCC2)CCOCC1 ZINC000061674062 173337902 /nfs/dbraw/zinc/33/79/02/173337902.db2.gz FVUZQEAPJOYTFY-UHFFFAOYSA-N 1 0 227.348 1.819 10 0 BDAERO C[NH2+]CCC(=O)NCCc1cc(C)ccc1C ZINC000077369885 173339775 /nfs/dbraw/zinc/33/97/75/173339775.db2.gz IHSUWAKZASNYGH-UHFFFAOYSA-N 1 0 234.343 1.572 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc2c(c1)OCO2 ZINC000077373705 173342334 /nfs/dbraw/zinc/34/23/34/173342334.db2.gz UVFRDUNGVMDNLR-UHFFFAOYSA-N 1 0 237.255 1.068 10 0 BDAERO C[NH2+]CCCOCc1ccc2[nH]c(C)nc2c1 ZINC000077366807 173349881 /nfs/dbraw/zinc/34/98/81/173349881.db2.gz OECPFDGFPPWARX-UHFFFAOYSA-N 1 0 233.315 1.997 10 0 BDAERO C[NH2+]CCC[C@@H](O)c1ccc(OC)cc1 ZINC000076857937 173350053 /nfs/dbraw/zinc/35/00/53/173350053.db2.gz MGCZGZOYMDWOLX-GFCCVEGCSA-N 1 0 209.289 1.728 10 0 BDAERO C[NH2+]CCC[C@H](O)c1ccc(OC)cc1 ZINC000076857933 173350455 /nfs/dbraw/zinc/35/04/55/173350455.db2.gz MGCZGZOYMDWOLX-LBPRGKRZSA-N 1 0 209.289 1.728 10 0 BDAERO C[NH2+]CCCc1nc2cc(F)ccc2n1C ZINC000037439356 173351098 /nfs/dbraw/zinc/35/10/98/173351098.db2.gz OFDQDLHVRDXJRM-UHFFFAOYSA-N 1 0 221.279 1.864 10 0 BDAERO C[NH2+]CCN(C)c1ccc(C(=O)OC)cc1 ZINC000077334051 173353990 /nfs/dbraw/zinc/35/39/90/173353990.db2.gz BQVXAPLSVLKFHX-UHFFFAOYSA-N 1 0 222.288 1.129 10 0 BDAERO C[NH2+]CCN1c2cccc(Cl)c2C(=O)C1=O ZINC000042410653 173354454 /nfs/dbraw/zinc/35/44/54/173354454.db2.gz JKBLXSRVTGDKLB-UHFFFAOYSA-N 1 0 238.674 1.089 10 0 BDAERO C[NH2+]CCNc1ccc(OC)cc1OC ZINC000058838477 173357111 /nfs/dbraw/zinc/35/71/11/173357111.db2.gz HGCDWSKFIDXMCC-UHFFFAOYSA-N 1 0 210.277 1.335 10 0 BDAERO C[NH2+]CC[C@@H](C)n1nnc2ccccc21 ZINC000052576599 173357356 /nfs/dbraw/zinc/35/73/56/173357356.db2.gz UVVSYFVTUCEYJZ-SECBINFHSA-N 1 0 204.277 1.602 10 0 BDAERO C[NH2+]CCSc1nnc2n1CCCCC2 ZINC000042408833 173357537 /nfs/dbraw/zinc/35/75/37/173357537.db2.gz ZNPPFTLGKIRKJL-UHFFFAOYSA-N 1 0 226.349 1.316 10 0 BDAERO C[NH2+]CC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052948946 173358610 /nfs/dbraw/zinc/35/86/10/173358610.db2.gz YZORIHQTQIKSAK-SECBINFHSA-N 1 0 225.313 1.167 10 0 BDAERO C[NH2+]CCc1cccc(Br)n1 ZINC000083298910 173360499 /nfs/dbraw/zinc/36/04/99/173360499.db2.gz GPNAJBSIZKTJFY-UHFFFAOYSA-N 1 0 215.094 1.606 10 0 BDAERO C[NH2+]CCc1nc2c(cccc2F)n1C ZINC000043598799 173361180 /nfs/dbraw/zinc/36/11/80/173361180.db2.gz CKHDLUQWMNEIBZ-UHFFFAOYSA-N 1 0 207.252 1.474 10 0 BDAERO C[NH2+]CCc1nccc(-c2ccccc2)n1 ZINC000070948866 173361818 /nfs/dbraw/zinc/36/18/18/173361818.db2.gz LYDTZQHICGFAKB-UHFFFAOYSA-N 1 0 213.284 1.906 10 0 BDAERO C[NH2+]C[C@@H](O)CO[C@H](C)c1ccccc1 ZINC000019864999 173365357 /nfs/dbraw/zinc/36/53/57/173365357.db2.gz WEAUMABBTUGJAO-ZYHUDNBSSA-N 1 0 209.289 1.345 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1c(F)cccc1Cl ZINC000041230763 173365365 /nfs/dbraw/zinc/36/53/65/173365365.db2.gz HKQWKJXAOOQAEX-ZETCQYMHSA-N 1 0 217.671 1.602 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(Cl)ccc1F ZINC000082592869 173365535 /nfs/dbraw/zinc/36/55/35/173365535.db2.gz FTHWWNHNWXAEQH-SECBINFHSA-N 1 0 203.644 1.732 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000071536721 173365550 /nfs/dbraw/zinc/36/55/50/173365550.db2.gz IFMZZRSYYUMRTD-JTQLQIEISA-N 1 0 233.233 1.828 10 0 BDAERO C[NH2+]C[C@@H](O)COc1cccc(C(C)C)c1 ZINC000019864587 173365602 /nfs/dbraw/zinc/36/56/02/173365602.db2.gz OYZQEEHVLLIGAT-GFCCVEGCSA-N 1 0 223.316 1.769 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(OC(C)C)c(OC)c1 ZINC000033468624 173366021 /nfs/dbraw/zinc/36/60/21/173366021.db2.gz MAUOISOJYFPSDK-LLVKDONJSA-N 1 0 239.315 1.735 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccccc1OCC(C)C ZINC000032014610 173366154 /nfs/dbraw/zinc/36/61/54/173366154.db2.gz GZEMMLBEBQYHNZ-GFCCVEGCSA-N 1 0 223.316 1.974 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000055027401 173366272 /nfs/dbraw/zinc/36/62/72/173366272.db2.gz DBBJLKHXJXCZPP-SECBINFHSA-N 1 0 230.105 1.702 10 0 BDAERO C[NH2+]C[C@@H](OC)c1cc(OC)c(C)cc1OC ZINC000071549492 173366526 /nfs/dbraw/zinc/36/65/26/173366526.db2.gz SSAWUJASTATYAI-CYBMUJFWSA-N 1 0 239.315 1.919 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ccccc2OC)C1 ZINC000011892293 173371311 /nfs/dbraw/zinc/37/13/11/173371311.db2.gz YZOKIXAGKHSMNZ-NSHDSACASA-N 1 0 220.316 1.741 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)O1 ZINC000077386748 173371734 /nfs/dbraw/zinc/37/17/34/173371734.db2.gz LWZQKMGMBKGATB-SNVBAGLBSA-N 1 0 240.690 1.885 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1cc(Cl)ccc1OC ZINC000036162198 173372137 /nfs/dbraw/zinc/37/21/37/173372137.db2.gz VRIQAFDMGSNBFO-LLVKDONJSA-N 1 0 229.707 1.776 10 0 BDAERO C[NH2+]C[C@H](C)Oc1cc(C)cc2ncnn21 ZINC000051867682 173375947 /nfs/dbraw/zinc/37/59/47/173375947.db2.gz IMSNZUQFKZJDGA-VIFPVBQESA-N 1 0 220.276 1.024 10 0 BDAERO C[NH2+]C[C@H](C)Oc1nc2ccccc2nc1C ZINC000052099690 173376157 /nfs/dbraw/zinc/37/61/57/173376157.db2.gz GFRVFTAKUUXZGR-VIFPVBQESA-N 1 0 231.299 1.925 10 0 BDAERO C[NH2+]C[C@H](C)NC(=O)OCc1ccccc1 ZINC000071624095 173376219 /nfs/dbraw/zinc/37/62/19/173376219.db2.gz UXEWTESAMOZBGJ-JTQLQIEISA-N 1 0 222.288 1.521 10 0 BDAERO C[NH2+]C[C@H](O)CSc1ccc(C)cc1C ZINC000019686889 173376718 /nfs/dbraw/zinc/37/67/18/173376718.db2.gz YEPSPWYKLNIVQY-NSHDSACASA-N 1 0 225.357 1.976 10 0 BDAERO C[NH2+]C[C@H](OC)c1cc(OC)c(C)cc1OC ZINC000071549493 173377696 /nfs/dbraw/zinc/37/76/96/173377696.db2.gz SSAWUJASTATYAI-ZDUSSCGKSA-N 1 0 239.315 1.919 10 0 BDAERO C[NH2+]C[C@H](OC)c1ccc(OC)c(C)c1OC ZINC000071549516 173377879 /nfs/dbraw/zinc/37/78/79/173377879.db2.gz RKFSKVZTZKOYFQ-LBPRGKRZSA-N 1 0 239.315 1.919 10 0 BDAERO C[NH2+]C[C@H]1CN(c2cccc(C)c2)C(=O)O1 ZINC000077330566 173382423 /nfs/dbraw/zinc/38/24/23/173382423.db2.gz VLXJTJMOQAZTMQ-NSHDSACASA-N 1 0 220.272 1.540 10 0 BDAERO C[NH2+]C[C@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000069797533 173383579 /nfs/dbraw/zinc/38/35/79/173383579.db2.gz HSRFSSLZCICRJK-OLZOCXBDSA-N 1 0 220.316 1.278 10 0 BDAERO C[NH2+]Cc1cc(OC)nc2ccccc12 ZINC000051523688 173386747 /nfs/dbraw/zinc/38/67/47/173386747.db2.gz WAOSHXFTSQHESC-UHFFFAOYSA-N 1 0 202.257 1.963 10 0 BDAERO C[NH2+]Cc1cc(F)ccc1N(CCO)C1CC1 ZINC000042480376 173387029 /nfs/dbraw/zinc/38/70/29/173387029.db2.gz CLVABVWLAARGBJ-UHFFFAOYSA-N 1 0 238.306 1.506 10 0 BDAERO C[NH2+]Cc1cc(Cn2ccnc2)oc1C ZINC000052575379 173387036 /nfs/dbraw/zinc/38/70/36/173387036.db2.gz ZVYRTHRLYKLUOS-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+]Cc1cc(Oc2cccnc2)ccn1 ZINC000051544407 173387469 /nfs/dbraw/zinc/38/74/69/173387469.db2.gz PHLNPSMWJNCQSP-UHFFFAOYSA-N 1 0 215.256 1.988 10 0 BDAERO C[NH2+]Cc1cc2cc(OC)ccc2n(C)c1=O ZINC000039286965 173387691 /nfs/dbraw/zinc/38/76/91/173387691.db2.gz JHVQUDITDKDXQQ-UHFFFAOYSA-N 1 0 232.283 1.267 10 0 BDAERO C[NH2+]Cc1ccccc1Cn1cccn1 ZINC000052574937 173390236 /nfs/dbraw/zinc/39/02/36/173390236.db2.gz NIIYDXPSTDHKGO-UHFFFAOYSA-N 1 0 201.273 1.651 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)NC1CC1 ZINC000054457631 173390541 /nfs/dbraw/zinc/39/05/41/173390541.db2.gz RMXZURNTDCIISK-UHFFFAOYSA-N 1 0 219.288 1.690 10 0 BDAERO C[NH2+]Cc1ccccc1O[C@H]1CCC[C@H]1O ZINC000037702411 173390830 /nfs/dbraw/zinc/39/08/30/173390830.db2.gz UAZZJMBTZHNSLG-YPMHNXCESA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1cccnc1OC[C@H]1CCCCO1 ZINC000051524369 173390995 /nfs/dbraw/zinc/39/09/95/173390995.db2.gz SAYJTGYUADUOOP-GFCCVEGCSA-N 1 0 236.315 1.749 10 0 BDAERO C[NH2+]Cc1csc(CN2CCCC2)n1 ZINC000045206611 173393009 /nfs/dbraw/zinc/39/30/09/173393009.db2.gz HKXNMXUCBKPQHU-UHFFFAOYSA-N 1 0 211.334 1.458 10 0 BDAERO C[NH2+]Cc1coc(CN2CCSCC2)c1 ZINC000052425659 173393167 /nfs/dbraw/zinc/39/31/67/173393167.db2.gz GPGALGCLQSBNNH-UHFFFAOYSA-N 1 0 226.345 1.548 10 0 BDAERO C[NH2+]Cc1nc2ccccc2n1C[C@H]1CCCO1 ZINC000053994564 173396315 /nfs/dbraw/zinc/39/63/15/173396315.db2.gz UHDFUUIRYAKADS-LLVKDONJSA-N 1 0 245.326 1.935 10 0 BDAERO C[NH2+]Cc1ncncc1NC(=O)OC(C)(C)C ZINC000095075947 173397751 /nfs/dbraw/zinc/39/77/51/173397751.db2.gz YMRCOAPUJNDRKQ-UHFFFAOYSA-N 1 0 238.291 1.543 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H](C)C1CCCCC1 ZINC000054746803 173398494 /nfs/dbraw/zinc/39/84/94/173398494.db2.gz BGTNEHNIQKJWNW-VIFPVBQESA-N 1 0 223.324 1.534 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H](C)C1CCCCC1 ZINC000054746805 173398715 /nfs/dbraw/zinc/39/87/15/173398715.db2.gz BGTNEHNIQKJWNW-SECBINFHSA-N 1 0 223.324 1.534 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H]1CCC[C@H](C)C1 ZINC000054745227 173399038 /nfs/dbraw/zinc/39/90/38/173399038.db2.gz DECPRZHLHCSMKE-IUCAKERBSA-N 1 0 209.297 1.144 10 0 BDAERO C[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@@H]1COCCO1 ZINC000055299587 173428496 /nfs/dbraw/zinc/42/84/96/173428496.db2.gz HBDGKZUYLTVIHF-GJZGRUSLSA-N 1 0 247.338 1.851 10 0 BDAERO C[NH2+][C@@H]1CCCCCC[C@H]1N1CCOCC1 ZINC000043807935 173431727 /nfs/dbraw/zinc/43/17/27/173431727.db2.gz CWJGPWZFHFTUSE-CHWSQXEVSA-N 1 0 226.364 1.629 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000052395577 173445157 /nfs/dbraw/zinc/44/51/57/173445157.db2.gz BHEPDFVTVLOGOT-SNVBAGLBSA-N 1 0 206.289 1.850 10 0 BDAERO C[NH2+][C@H]1CCN(CCc2ccsc2)C1 ZINC000049183878 173464684 /nfs/dbraw/zinc/46/46/84/173464684.db2.gz HPTZWOPDVPWHEP-NSHDSACASA-N 1 0 210.346 1.584 10 0 BDAERO CNc1nc2ccccc2nc1N[C@@H]1CC[NH2+]C1 ZINC000095071355 173487993 /nfs/dbraw/zinc/48/79/93/173487993.db2.gz GQUYPQQKHQOGDZ-SECBINFHSA-N 1 0 243.314 1.445 10 0 BDAERO CNc1nc2ccccc2nc1N[C@H]1CC[NH2+]C1 ZINC000095071358 173488072 /nfs/dbraw/zinc/48/80/72/173488072.db2.gz GQUYPQQKHQOGDZ-VIFPVBQESA-N 1 0 243.314 1.445 10 0 BDAERO COC(=O)CCSC[C@@H]1CCCC[NH2+]1 ZINC000043495388 173565652 /nfs/dbraw/zinc/56/56/52/173565652.db2.gz XXOFDCMHSVQPQI-VIFPVBQESA-N 1 0 217.334 1.425 10 0 BDAERO COC(=O)[C@@H](C)n1c(N)[nH+]c2cc(OC)ccc21 ZINC000075947639 173696173 /nfs/dbraw/zinc/69/61/73/173696173.db2.gz VDLLPWUOTGFPHV-SSDOTTSWSA-N 1 0 249.270 1.361 10 0 BDAERO COC(=O)c1cc(C2CC[NH2+]CC2)ccc1OC ZINC000098177920 173853242 /nfs/dbraw/zinc/85/32/42/173853242.db2.gz YRKKPSWRJVIGFT-UHFFFAOYSA-N 1 0 249.310 1.949 10 0 BDAERO COC(=O)c1ccc2c([C@H]3CC[NH2+]C3)c[nH]c2n1 ZINC000091692277 173889417 /nfs/dbraw/zinc/88/94/17/173889417.db2.gz LFWFLOMFXXYQFS-QMMMGPOBSA-N 1 0 245.282 1.426 10 0 BDAERO COC1(OC)CC(C[NH3+])(c2ccccc2)C1 ZINC000078725260 174008694 /nfs/dbraw/zinc/00/86/94/174008694.db2.gz ZAJZJSHLVJOXDI-UHFFFAOYSA-N 1 0 221.300 1.666 10 0 BDAERO COC1(OC)C[C@@H]2C[N@H+](C)C[C@@]21c1ccccc1 ZINC000027716418 174009687 /nfs/dbraw/zinc/00/96/87/174009687.db2.gz JRMSLSLIBPCNIP-ZIAGYGMSSA-N 1 0 247.338 1.879 10 0 BDAERO COC1CC([NH2+]C[C@@H]2CC23CCOCC3)C1 ZINC000336751930 174017493 /nfs/dbraw/zinc/01/74/93/174017493.db2.gz DBJQRHRRDWPHJO-UNXYVOJBSA-N 1 0 225.332 1.570 10 0 BDAERO COC1CCN(C(=O)[C@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000037266862 174026355 /nfs/dbraw/zinc/02/63/55/174026355.db2.gz FNTIBQWEOJSAIJ-ZYHUDNBSSA-N 1 0 240.347 1.154 10 0 BDAERO COC1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000094647222 174026645 /nfs/dbraw/zinc/02/66/45/174026645.db2.gz JFDBPHXPASUHSG-PWSUYJOCSA-N 1 0 240.347 1.012 10 0 BDAERO COC1CC[NH+](C2(CN)CCCCC2)CC1 ZINC000037265960 174028665 /nfs/dbraw/zinc/02/86/65/174028665.db2.gz LGLZFLYPYMILEW-UHFFFAOYSA-N 1 0 226.364 1.759 10 0 BDAERO COC1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000037266070 174029177 /nfs/dbraw/zinc/02/91/77/174029177.db2.gz LUERGFLNGHOQGX-CQSZACIVSA-N 1 0 234.343 1.797 10 0 BDAERO COC1CC[NH+](Cc2ccccc2N)CC1 ZINC000037265627 174029865 /nfs/dbraw/zinc/02/98/65/174029865.db2.gz YOJNIQPWJWXLIQ-UHFFFAOYSA-N 1 0 220.316 1.880 10 0 BDAERO COC1CCN([C@@H](C[NH3+])c2ccco2)CC1 ZINC000037266001 174031006 /nfs/dbraw/zinc/03/10/06/174031006.db2.gz IPPIJKPLOVHUTO-NSHDSACASA-N 1 0 224.304 1.390 10 0 BDAERO COC1CC[NH+]([C@@H]2CCCCC[C@H]2N)CC1 ZINC000037266039 174031100 /nfs/dbraw/zinc/03/11/00/174031100.db2.gz BDNAGMXYPLXNQP-CHWSQXEVSA-N 1 0 226.364 1.757 10 0 BDAERO COC1CC[NH+]([C@H](CN)C(C)C)CC1 ZINC000037265811 174031348 /nfs/dbraw/zinc/03/13/48/174031348.db2.gz VVIBDFXEVYUQHJ-LLVKDONJSA-N 1 0 200.326 1.081 10 0 BDAERO COC1CCN(c2ncc([C@H](C)[NH3+])s2)CC1 ZINC000054895427 174032615 /nfs/dbraw/zinc/03/26/15/174032615.db2.gz CUMSBLJFLVEHAZ-QMMMGPOBSA-N 1 0 241.360 1.778 10 0 BDAERO COCCC(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063137281 174123932 /nfs/dbraw/zinc/12/39/32/174123932.db2.gz VVPSYQPIAHHFAB-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO COCCCN(C)[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000062029360 174220540 /nfs/dbraw/zinc/22/05/40/174220540.db2.gz ZAMMLKNKEKZJGM-AAEUAGOBSA-N 1 0 237.347 1.438 10 0 BDAERO COCCCN(CCOC)C[C@@H]([NH3+])CC(C)C ZINC000042425413 174223947 /nfs/dbraw/zinc/22/39/47/174223947.db2.gz RQRVSIKSVGCSSN-ZDUSSCGKSA-N 1 0 246.395 1.345 10 0 BDAERO COCCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1C ZINC000308555495 174264941 /nfs/dbraw/zinc/26/49/41/174264941.db2.gz ZDBZYUZSUCGMID-AXFHLTTASA-N 1 0 201.310 1.569 10 0 BDAERO COCCN(C)CCNC(=[NH2+])c1ccccc1 ZINC000062987908 174275884 /nfs/dbraw/zinc/27/58/84/174275884.db2.gz YCQPCUNKSWWGQY-UHFFFAOYSA-N 1 0 235.331 1.180 10 0 BDAERO COCC[N@H+](C)CCN1Cc2ccc(N)cc2C1 ZINC000061380362 174276082 /nfs/dbraw/zinc/27/60/82/174276082.db2.gz LKMVOYHETQBMNO-UHFFFAOYSA-N 1 0 249.358 1.163 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000041241206 174282540 /nfs/dbraw/zinc/28/25/40/174282540.db2.gz KJGWYJVFISNKKV-ZDUSSCGKSA-N 1 0 222.332 1.573 10 0 BDAERO COCCN(C)[C@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043036272 174283622 /nfs/dbraw/zinc/28/36/22/174283622.db2.gz JWHGSKWGCFKLHL-JSGCOSHPSA-N 1 0 236.359 1.962 10 0 BDAERO COCCN(CC[NH3+])Cc1ccc(C)cc1 ZINC000032014359 174291584 /nfs/dbraw/zinc/29/15/84/174291584.db2.gz ZAVVTXKIUVUXMC-UHFFFAOYSA-N 1 0 222.332 1.402 10 0 BDAERO COCCN(C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518134 174297325 /nfs/dbraw/zinc/29/73/25/174297325.db2.gz XOTHLDJZGOXCLX-AWEZNQCLSA-N 1 0 234.343 1.797 10 0 BDAERO COCCN(Cc1ccccc1C(N)=[NH2+])C1CC1 ZINC000042518454 174299220 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ZINC000071519472 175121782 /nfs/dbraw/zinc/12/17/82/175121782.db2.gz CNYRVBKCPKQQCL-ZETCQYMHSA-N 1 0 215.680 1.383 10 0 BDAERO COc1ccc(F)cc1CN1CCC[C@@H]([NH3+])C1 ZINC000041029110 175128378 /nfs/dbraw/zinc/12/83/78/175128378.db2.gz UPKIEBOIVKNXBX-GFCCVEGCSA-N 1 0 238.306 1.757 10 0 BDAERO COc1ccc(F)cc1[C@@H](O)C[NH2+]C(C)C ZINC000049820793 175133871 /nfs/dbraw/zinc/13/38/71/175133871.db2.gz JEXSLEZLBYHFHW-NSHDSACASA-N 1 0 227.279 1.866 10 0 BDAERO COc1ccc(N(C)C(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000062116710 175135600 /nfs/dbraw/zinc/13/56/00/175135600.db2.gz AEFXQMFDECZDQF-SNVBAGLBSA-N 1 0 234.299 1.268 10 0 BDAERO COc1ccc(N(C)C(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062116711 175136617 /nfs/dbraw/zinc/13/66/17/175136617.db2.gz AEFXQMFDECZDQF-JTQLQIEISA-N 1 0 234.299 1.268 10 0 BDAERO COc1ccc(NC(=O)CC[NH3+])cc1C ZINC000044388540 175141742 /nfs/dbraw/zinc/14/17/42/175141742.db2.gz MGSASWOOJRDIHO-UHFFFAOYSA-N 1 0 208.261 1.291 10 0 BDAERO COc1ccc(NC(=O)[C@H](C)CC[NH3+])cc1 ZINC000076611146 175146514 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/nfs/dbraw/zinc/21/88/04/175218804.db2.gz ABOZDQDRFCIXIO-UHFFFAOYSA-N 1 0 218.256 1.006 10 0 BDAERO COc1ccc2ccccc2c1[C@@H](N)C[NH3+] ZINC000035676911 175226779 /nfs/dbraw/zinc/22/67/79/175226779.db2.gz QMBWHOADXOMFNB-NSHDSACASA-N 1 0 216.284 1.807 10 0 BDAERO COc1cccc(-c2nnc(CC[NH3+])o2)c1OC ZINC000050283779 175237246 /nfs/dbraw/zinc/23/72/46/175237246.db2.gz BVPGQIGOTGRPAP-UHFFFAOYSA-N 1 0 249.270 1.255 10 0 BDAERO COc1cccc(CCC(=O)CC[NH3+])c1 ZINC000071510473 175250632 /nfs/dbraw/zinc/25/06/32/175250632.db2.gz BJQXOMBSASJHEA-UHFFFAOYSA-N 1 0 207.273 1.546 10 0 BDAERO COc1cccc(CCN2CC[NH2+]C[C@@H]2C)c1 ZINC000041264319 175252045 /nfs/dbraw/zinc/25/20/45/175252045.db2.gz LXVAJDSWVLOLJH-LBPRGKRZSA-N 1 0 234.343 1.531 10 0 BDAERO COc1cccc(CC[C@H](O)CC[NH3+])c1 ZINC000041218543 175253357 /nfs/dbraw/zinc/25/33/57/175253357.db2.gz CSEXCSQFETUMMG-NSHDSACASA-N 1 0 209.289 1.338 10 0 BDAERO COc1cccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282310150 175267763 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/nfs/dbraw/zinc/29/48/76/175294876.db2.gz GWLPOWLUMAKGCV-GMSGAONNSA-N 1 0 211.261 1.084 10 0 BDAERO COc1cccc([C@H]([NH3+])c2cnccn2)c1 ZINC000037467100 175295227 /nfs/dbraw/zinc/29/52/27/175295227.db2.gz XZEZYEOPJVJWSZ-LBPRGKRZSA-N 1 0 215.256 1.533 10 0 BDAERO COc1cccc([C@H]([C@@H](C)[NH3+])n2cncn2)c1 ZINC000043028729 175296330 /nfs/dbraw/zinc/29/63/30/175296330.db2.gz YUHNLBQJRUGHNV-SKDRFNHKSA-N 1 0 232.287 1.223 10 0 BDAERO COc1cccc([C@H]([C@H](C)[NH3+])N(C)CCO)c1 ZINC000043027239 175296335 /nfs/dbraw/zinc/29/63/35/175296335.db2.gz KSQDGZNVHWYBAO-GWCFXTLKSA-N 1 0 238.331 1.008 10 0 BDAERO COc1cccc([S@@](=O)C2CC[NH2+]CC2)c1 ZINC000083294957 175297745 /nfs/dbraw/zinc/29/77/45/175297745.db2.gz MFFCZLUUAOBUQY-MRXNPFEDSA-N 1 0 239.340 1.555 10 0 BDAERO COc1cccc([C@]2(C)OC[C@H](C[NH3+])O2)c1 ZINC000049819286 175297773 /nfs/dbraw/zinc/29/77/73/175297773.db2.gz ADNYRRMBVCZISS-NWDGAFQWSA-N 1 0 223.272 1.242 10 0 BDAERO COc1ccccc1-c1nc(C[NH3+])c[nH]1 ZINC000062820817 175310525 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JIYHNYBOGUYZNW-UHFFFAOYSA-N 1 0 211.330 1.930 10 0 BDAERO COc1ccccc1C[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000062237050 175333686 /nfs/dbraw/zinc/33/36/86/175333686.db2.gz SMZBYAWNLGMSCF-OLZOCXBDSA-N 1 0 235.327 1.992 10 0 BDAERO COc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104213040 175337019 /nfs/dbraw/zinc/33/70/19/175337019.db2.gz HWMNDGALMXTIPD-ZJUUUORDSA-N 1 0 234.299 1.489 10 0 BDAERO COc1ccccc1Oc1nc[nH+]c(NN)c1N ZINC000040783916 175342872 /nfs/dbraw/zinc/34/28/72/175342872.db2.gz MKDPGHSNZIRJMZ-UHFFFAOYSA-N 1 0 247.258 1.145 10 0 BDAERO COc1ccccc1[C@H]1C[NH2+]C[C@H](C)O1 ZINC000032011707 175355647 /nfs/dbraw/zinc/35/56/47/175355647.db2.gz FTKMBYFFWWIEHQ-JOYOIKCWSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccccc1[S@@](=O)C[C@H]1CCC[NH2+]1 ZINC000083319618 175356039 /nfs/dbraw/zinc/35/60/39/175356039.db2.gz HXEBXKFYQSXKNX-QLJPJBMISA-N 1 0 239.340 1.555 10 0 BDAERO COc1cncc(CC2CC[NH2+]CC2)c1 ZINC000150231412 175384761 /nfs/dbraw/zinc/38/47/61/175384761.db2.gz JAJNYTUAKLWKQM-UHFFFAOYSA-N 1 0 206.289 1.632 10 0 BDAERO CSCCC[N@@H+]1CCC[C@H]1CCCO ZINC000128346271 175482117 /nfs/dbraw/zinc/48/21/17/175482117.db2.gz FKZICMNJAWKNNS-NSHDSACASA-N 1 0 217.378 1.976 10 0 BDAERO C[C@@H](CCc1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000091412335 175686247 /nfs/dbraw/zinc/68/62/47/175686247.db2.gz YHVYHQYAPZIFIP-NSHDSACASA-N 1 0 232.327 1.343 10 0 BDAERO C[C@@H](C[NH3+])CCC(=O)NCc1ccco1 ZINC000076585073 175706443 /nfs/dbraw/zinc/70/64/43/175706443.db2.gz NFRBDDRNTMLYFZ-SECBINFHSA-N 1 0 210.277 1.271 10 0 BDAERO C[C@@H](CN1Cc2ccc(N)cc2C1)[NH+](C)C ZINC000045109249 175720100 /nfs/dbraw/zinc/72/01/00/175720100.db2.gz QLNWCSOTROYNET-JTQLQIEISA-N 1 0 219.332 1.535 10 0 BDAERO C[C@@H]([NH3+])CC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000037607745 175803789 /nfs/dbraw/zinc/80/37/89/175803789.db2.gz FIGAEYMZLMJLAU-SNVBAGLBSA-N 1 0 244.298 1.548 10 0 BDAERO C[C@@H]([NH3+])Cc1ccc(OCc2cnn(C)c2)cc1 ZINC000037723745 175807282 /nfs/dbraw/zinc/80/72/82/175807282.db2.gz PSHKRAYAKJOFHZ-LLVKDONJSA-N 1 0 245.326 1.889 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1ccc2ccccc2n1 ZINC000083094532 175809495 /nfs/dbraw/zinc/80/94/95/175809495.db2.gz BAXHQCMBLRXBTK-PRHODGIISA-N 1 0 202.257 1.615 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)n1cncn1 ZINC000042915826 175810894 /nfs/dbraw/zinc/81/08/94/175810894.db2.gz ZSOUSYWJDCQGFB-KCJUWKMLSA-N 1 0 220.251 1.354 10 0 BDAERO C[C@@H]([NH3+])[C@@](O)(c1ccc(F)cc1)C(F)(F)F ZINC000062784354 175811401 /nfs/dbraw/zinc/81/14/01/175811401.db2.gz OFNALPHJBOWSEC-HZGVNTEJSA-N 1 0 237.196 1.923 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1cccs1)n1cncn1 ZINC000043106967 175813200 /nfs/dbraw/zinc/81/32/00/175813200.db2.gz HXWRAVRDQNQKRV-VXNVDRBHSA-N 1 0 208.290 1.276 10 0 BDAERO C[C@@H]([NH3+])c1cccc(OCC(=O)N(C)C)c1 ZINC000022177868 175818201 /nfs/dbraw/zinc/81/82/01/175818201.db2.gz PHFSQERPRHEHCD-SECBINFHSA-N 1 0 222.288 1.173 10 0 BDAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000054306083 175832861 /nfs/dbraw/zinc/83/28/61/175832861.db2.gz KNRCKNCXVWPEGY-NXEZZACHSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCc2nccn2C1)C1CCC1 ZINC000309427460 175928230 /nfs/dbraw/zinc/92/82/30/175928230.db2.gz AXTCYQPPMGBIPL-PWSUYJOCSA-N 1 0 219.332 1.976 10 0 BDAERO C[C@@H](O[C@@H]1CC[NH2+]C1)C(=O)NC1CCCCC1 ZINC000051782283 176003209 /nfs/dbraw/zinc/00/32/09/176003209.db2.gz NPVVNKPLJDJXQT-ZYHUDNBSSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@H](Oc1ccc(C[NH3+])cc1Cl)C(N)=O ZINC000042303015 176004370 /nfs/dbraw/zinc/00/43/70/176004370.db2.gz OAGOAJSRCJJSFS-ZCFIWIBFSA-N 1 0 228.679 1.051 10 0 BDAERO C[C@@H](Oc1cccc(C[NH3+])c1)C(=O)N(C)C ZINC000020387070 176005017 /nfs/dbraw/zinc/00/50/17/176005017.db2.gz DEJVPWOMPVUKSB-SECBINFHSA-N 1 0 222.288 1.001 10 0 BDAERO C[C@@H](SCC[NH3+])C(=O)N1CCCCCC1 ZINC000020422265 176007781 /nfs/dbraw/zinc/00/77/81/176007781.db2.gz RHXMJLIDVBRCQH-SNVBAGLBSA-N 1 0 230.377 1.469 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)S(=O)(=O)c1ccccc1 ZINC000061702721 176010931 /nfs/dbraw/zinc/01/09/31/176010931.db2.gz HTJIDDAYANTZAS-BDAKNGLRSA-N 1 0 213.302 1.196 10 0 BDAERO 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/nfs/dbraw/zinc/19/41/84/323194184.db2.gz RQXKLLAQDMNHOK-SRVKXCTJSA-N 1 0 213.321 1.116 10 0 BDAERO CO[C@H](C)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398880645 323194290 /nfs/dbraw/zinc/19/42/90/323194290.db2.gz XCLXKDQNYFJRMK-NOOOWODRSA-N 1 0 213.321 1.114 10 0 BDAERO Cc1c[nH+]ccc1N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399102425 323196909 /nfs/dbraw/zinc/19/69/09/323196909.db2.gz UYBOIUSLWNXCRM-YNEHKIRRSA-N 1 0 232.327 1.987 10 0 BDAERO COC(C)(C)C[N@H+](C)CC1(O)CCC1 ZINC000532645269 323286578 /nfs/dbraw/zinc/28/65/78/323286578.db2.gz IVAAXSFSXHIROX-UHFFFAOYSA-N 1 0 201.310 1.258 10 0 BDAERO CC1CC(C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000309155624 323320614 /nfs/dbraw/zinc/32/06/14/323320614.db2.gz XIWQVAVSWFPPDU-UHFFFAOYSA-N 1 0 210.321 1.243 10 0 BDAERO CC(C)[C@H](C(=O)N[C@H](C)[C@H]1CCCO1)[C@H](C)[NH3+] ZINC000399505231 323396407 /nfs/dbraw/zinc/39/64/07/323396407.db2.gz LBXMWJALXLFYSK-QCNOEVLYSA-N 1 0 242.363 1.290 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCC2CC2)C1 ZINC000158448448 487958531 /nfs/dbraw/zinc/95/85/31/487958531.db2.gz XKIYAJVJVPDMPH-NEPJUHHUSA-N 1 0 224.348 1.810 10 0 BDAERO CCC[C@H](C(=O)N1CCSCC1)[NH+](C)C ZINC000161625296 323547634 /nfs/dbraw/zinc/54/76/34/323547634.db2.gz LGYRTIRVGISVPL-SNVBAGLBSA-N 1 0 230.377 1.292 10 0 BDAERO CCN(C)[C@H]1C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000536960840 323974394 /nfs/dbraw/zinc/97/43/94/323974394.db2.gz SYKGRDVEIMSTNI-WDEREUQCSA-N 1 0 242.363 1.258 10 0 BDAERO Cc1c(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)cnn1C ZINC000128768275 324882093 /nfs/dbraw/zinc/88/20/93/324882093.db2.gz YCZRDENFXTZMFM-UWVGGRQHSA-N 1 0 237.347 1.774 10 0 BDAERO CC(C)[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000129390605 324943915 /nfs/dbraw/zinc/94/39/15/324943915.db2.gz IYNLMKMSBXGNTQ-CHWSQXEVSA-N 1 0 226.364 1.341 10 0 BDAERO CC(C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000130779876 325087544 /nfs/dbraw/zinc/08/75/44/325087544.db2.gz BLJJBPROLHWLLE-QWRGUYRKSA-N 1 0 227.352 1.423 10 0 BDAERO C[C@@H](C[NH3+])Nc1ccc(C(F)(F)F)nn1 ZINC000132512226 325222526 /nfs/dbraw/zinc/22/25/26/325222526.db2.gz ZVVUBSBPBCSNDD-YFKPBYRVSA-N 1 0 220.198 1.255 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC2CCCC2)C1 ZINC000132599026 325228328 /nfs/dbraw/zinc/22/83/28/325228328.db2.gz COMJFTVWPKMZQK-LBPRGKRZSA-N 1 0 239.363 1.713 10 0 BDAERO CS[C@H](C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000133855206 325323919 /nfs/dbraw/zinc/32/39/19/325323919.db2.gz ZTCMIUUYZSVDSF-ZJUUUORDSA-N 1 0 245.392 1.083 10 0 BDAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(F)cn1 ZINC000134086994 325342328 /nfs/dbraw/zinc/34/23/28/325342328.db2.gz KVCRVCGVFBJVEF-FKTRJACZSA-N 1 0 224.279 1.642 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000245463273 325504827 /nfs/dbraw/zinc/50/48/27/325504827.db2.gz OOHBLONBVXZNIK-WUHRBBMRSA-N 1 0 236.359 1.585 10 0 BDAERO COc1ccc(C)cc1C[NH2+]CC1CC(O)C1 ZINC000091525364 325687206 /nfs/dbraw/zinc/68/72/06/325687206.db2.gz GLBUABBMAWDQIS-UHFFFAOYSA-N 1 0 235.327 1.864 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@H]2CCO[C@H]21 ZINC000252744757 325694753 /nfs/dbraw/zinc/69/47/53/325694753.db2.gz TVXCGIPTSKSCQM-SYLRKERUSA-N 1 0 239.359 1.693 10 0 BDAERO CC(C)[NH2+]CCCNc1cc(C(C)C)ncn1 ZINC000566551986 326063161 /nfs/dbraw/zinc/06/31/61/326063161.db2.gz SSXYQTFQNMLDJW-UHFFFAOYSA-N 1 0 236.363 1.822 10 0 BDAERO CCc1cc(NCC2CC(O)C2)cc[nH+]1 ZINC000307775228 326115328 /nfs/dbraw/zinc/11/53/28/326115328.db2.gz GWXAEHCUQOJQBX-UHFFFAOYSA-N 1 0 206.289 1.827 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC(C)(C)C)C1 ZINC000153840547 326115474 /nfs/dbraw/zinc/11/54/74/326115474.db2.gz OETXZYRPIJZOTF-MNOVXSKESA-N 1 0 241.379 1.813 10 0 BDAERO C[C@@H](NCc1ccoc1)[C@H]1CCC[NH2+]C1 ZINC000567647776 326238223 /nfs/dbraw/zinc/23/82/23/326238223.db2.gz ZEHQDWGCMFUOIB-PWSUYJOCSA-N 1 0 208.305 1.757 10 0 BDAERO C[C@]1(C(=O)NCCCc2ccccn2)CCC[NH2+]1 ZINC000567909770 326281249 /nfs/dbraw/zinc/28/12/49/326281249.db2.gz SZEMMAMFGISROE-CQSZACIVSA-N 1 0 247.342 1.273 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000569229421 326396214 /nfs/dbraw/zinc/39/62/14/326396214.db2.gz UCWBPZQLHFIJGS-RUJICJSRSA-N 1 0 224.348 1.666 10 0 BDAERO CC(C)C(C)(C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000573219446 326436358 /nfs/dbraw/zinc/43/63/58/326436358.db2.gz CLULFWVZOLFHGK-LLVKDONJSA-N 1 0 226.364 1.927 10 0 BDAERO CC1(NC(=O)C[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000229900050 487987885 /nfs/dbraw/zinc/98/78/85/487987885.db2.gz GTTPFVOICPOBTK-NSHDSACASA-N 1 0 240.347 1.061 10 0 BDAERO C[C@@H](C[NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000668615901 488008834 /nfs/dbraw/zinc/00/88/34/488008834.db2.gz BDFNBIMWJGBNBR-STQMWFEESA-N 1 0 246.354 1.858 10 0 BDAERO CC(C)CCC[N@@H+]1CCOC[C@@H]1CO ZINC000159253983 488014628 /nfs/dbraw/zinc/01/46/28/488014628.db2.gz FQCDXURIGXMZFD-NSHDSACASA-N 1 0 201.310 1.116 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084308465 488042276 /nfs/dbraw/zinc/04/22/76/488042276.db2.gz UZNYADAPLJZDSP-VHSXEESVSA-N 1 0 212.337 1.666 10 0 BDAERO COCc1noc([C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084305524 488042447 /nfs/dbraw/zinc/04/24/47/488042447.db2.gz UHAUOZIQYCRBGV-HTQZYQBOSA-N 1 0 211.265 1.058 10 0 BDAERO Cc1csc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084308987 488043263 /nfs/dbraw/zinc/04/32/63/488043263.db2.gz ZBZADZIIQNJPRE-IUCAKERBSA-N 1 0 239.344 1.765 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1CCCC1 ZINC000084309370 488044129 /nfs/dbraw/zinc/04/41/29/488044129.db2.gz JOPOQDLURKIAPC-VXGBXAGGSA-N 1 0 224.348 1.668 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCC(F)(F)F ZINC000084310858 488045171 /nfs/dbraw/zinc/04/51/71/488045171.db2.gz WDCANSFUSDZFGA-JGVFFNPUSA-N 1 0 238.253 1.430 10 0 BDAERO CC1(C)CCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084310822 488045198 /nfs/dbraw/zinc/04/51/98/488045198.db2.gz GZUFRVFLOAEVRU-MNOVXSKESA-N 1 0 224.348 1.762 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H](C(C)C)C1 ZINC000166141190 488056375 /nfs/dbraw/zinc/05/63/75/488056375.db2.gz MYXGQBYMHYZDBP-RYUDHWBXSA-N 1 0 226.364 1.864 10 0 BDAERO [NH3+]C[C@H](NC(=O)[C@H]1CC=CCC1)C(F)(F)F ZINC000401724516 488056981 /nfs/dbraw/zinc/05/69/81/488056981.db2.gz PNPSSLHHYFUWRC-YUMQZZPRSA-N 1 0 236.237 1.349 10 0 BDAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000310158181 488066514 /nfs/dbraw/zinc/06/65/14/488066514.db2.gz PBRHCQGMBDJXLG-LBELIVKGSA-N 1 0 234.343 1.100 10 0 BDAERO CO[C@]1(CO)CCC[N@@H+]([C@@H](C)C(C)C)C1 ZINC000401973158 488075335 /nfs/dbraw/zinc/07/53/35/488075335.db2.gz PLRTUJSPPUCEPS-NWDGAFQWSA-N 1 0 215.337 1.504 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000221993511 488080146 /nfs/dbraw/zinc/08/01/46/488080146.db2.gz PNIKQJZDEBQCKF-GARJFASQSA-N 1 0 244.404 1.712 10 0 BDAERO C[NH+](C)[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000248147060 488084684 /nfs/dbraw/zinc/08/46/84/488084684.db2.gz WDPFUWGXYAWFNA-LSDHHAIUSA-N 1 0 248.370 1.431 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2ncnc3c2CCCC3)C1 ZINC000389301627 488087693 /nfs/dbraw/zinc/08/76/93/488087693.db2.gz ZTRFMNIZFXHDMN-LLVKDONJSA-N 1 0 246.358 1.862 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCCOCC1CC1 ZINC000136311863 488094170 /nfs/dbraw/zinc/09/41/70/488094170.db2.gz KARDSNIQSNAZQY-GFCCVEGCSA-N 1 0 242.363 1.293 10 0 BDAERO CCCn1nccc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000159991735 488097674 /nfs/dbraw/zinc/09/76/74/488097674.db2.gz XTTXBQHNSSKGRF-WCQYABFASA-N 1 0 237.347 1.950 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(N)nc1 ZINC000092669495 488101061 /nfs/dbraw/zinc/10/10/61/488101061.db2.gz VUJGODFHXUGULP-ZDUSSCGKSA-N 1 0 248.374 1.580 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000092881561 488103949 /nfs/dbraw/zinc/10/39/49/488103949.db2.gz JBDAMXFTMMMALE-WCQYABFASA-N 1 0 237.347 1.743 10 0 BDAERO Cc1noc(C)c1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136484789 488105851 /nfs/dbraw/zinc/10/58/51/488105851.db2.gz YICZKJGQKNQALH-LLVKDONJSA-N 1 0 239.319 1.281 10 0 BDAERO COCCCC[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000397452962 488119722 /nfs/dbraw/zinc/11/97/22/488119722.db2.gz LATGKXQLJICYLV-CHWSQXEVSA-N 1 0 229.364 1.896 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667796677 488122937 /nfs/dbraw/zinc/12/29/37/488122937.db2.gz RNUBRSXBLOMKBY-MJBXVCDLSA-N 1 0 238.375 1.628 10 0 BDAERO CN(CCC(C)(C)C)C(=O)[C@H]1CC[NH2+]C1 ZINC000258774358 488133763 /nfs/dbraw/zinc/13/37/63/488133763.db2.gz SFYKUTTYWLTJLH-JTQLQIEISA-N 1 0 212.337 1.491 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC000252872432 487539222 /nfs/dbraw/zinc/53/92/22/487539222.db2.gz UERCJPRAUCTVHT-BUCHIQEDSA-N 1 0 248.370 1.618 10 0 BDAERO [NH3+][C@H](CNc1ccc2nccnc2n1)C1CC1 ZINC000094727572 487556902 /nfs/dbraw/zinc/55/69/02/487556902.db2.gz AXZYFOTXNKQSOR-SECBINFHSA-N 1 0 229.287 1.174 10 0 BDAERO CC(C)[C@H](NC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000323953828 487471008 /nfs/dbraw/zinc/47/10/08/487471008.db2.gz DSOVXRGZEGURHA-QWRGUYRKSA-N 1 0 210.321 1.147 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)o1 ZINC000231744349 487473792 /nfs/dbraw/zinc/47/37/92/487473792.db2.gz VXJGNKZKWVPQFF-ZJUUUORDSA-N 1 0 239.319 1.534 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)CCC(C)(C)[NH3+])o1 ZINC000231743906 487473809 /nfs/dbraw/zinc/47/38/09/487473809.db2.gz MAVHBJHXUMNSPS-VIFPVBQESA-N 1 0 239.319 1.678 10 0 BDAERO OCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000381391218 487506841 /nfs/dbraw/zinc/50/68/41/487506841.db2.gz NJJYCQWZHZRSGS-AGIUHOORSA-N 1 0 227.348 1.384 10 0 BDAERO O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300236717 487505959 /nfs/dbraw/zinc/50/59/59/487505959.db2.gz WIITZDNKDWWBRF-USZNOCQGSA-N 1 0 222.332 1.291 10 0 BDAERO Cc1nnsc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000381396745 487507969 /nfs/dbraw/zinc/50/79/69/487507969.db2.gz OYDHPRCZHRWJCJ-LPEHRKFASA-N 1 0 238.360 1.016 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000381499915 487510367 /nfs/dbraw/zinc/51/03/67/487510367.db2.gz OQDHVOZSXNVJPZ-QNWHQSFQSA-N 1 0 225.332 1.401 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(C)c1O ZINC000086555963 487518661 /nfs/dbraw/zinc/51/86/61/487518661.db2.gz XGVKBJVMBVTMHL-VIFPVBQESA-N 1 0 222.288 1.767 10 0 BDAERO C[C@@H]([NH3+])CNc1ncc(Cl)cc1F ZINC000086711255 487535279 /nfs/dbraw/zinc/53/52/79/487535279.db2.gz RDCLUZDHPVGTTC-RXMQYKEDSA-N 1 0 203.648 1.633 10 0 BDAERO O=C(CC[C@@H]1CC[NH2+]C1)NCC[C@@H]1CCCO1 ZINC000134529102 487988407 /nfs/dbraw/zinc/98/84/07/487988407.db2.gz ZUUPMKRKRZEISM-NEPJUHHUSA-N 1 0 240.347 1.061 10 0 BDAERO CCc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])n[nH]1 ZINC000135896568 488059269 /nfs/dbraw/zinc/05/92/69/488059269.db2.gz AZVJVZYFHMVCDL-WCBMZHEXSA-N 1 0 236.319 1.286 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C)[C@H](CC)CO1 ZINC000403814985 488139088 /nfs/dbraw/zinc/13/90/88/488139088.db2.gz NFVLTQLKPSTAOL-GMTAPVOTSA-N 1 0 228.336 1.010 10 0 BDAERO CO[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CC[C@@H]1C ZINC000310555167 488162795 /nfs/dbraw/zinc/16/27/95/488162795.db2.gz YBEUSTQGFFNUKA-RFQIPJPRSA-N 1 0 241.375 1.894 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCS[C@@H]1C ZINC000380019920 488168185 /nfs/dbraw/zinc/16/81/85/488168185.db2.gz VXPZKOJHIMPLQG-BBBLOLIVSA-N 1 0 230.377 1.370 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000054073195 488205295 /nfs/dbraw/zinc/20/52/95/488205295.db2.gz YNHJDCGGMVLJCA-JGVFFNPUSA-N 1 0 242.269 1.750 10 0 BDAERO CC(C)OC[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000380283361 490131826 /nfs/dbraw/zinc/13/18/26/490131826.db2.gz ZLKOIUJMFSTLBX-RYUDHWBXSA-N 1 0 215.337 1.959 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cc(C)sc1C ZINC000390786582 490221375 /nfs/dbraw/zinc/22/13/75/490221375.db2.gz QEZOYBDESZSAGE-SSDOTTSWSA-N 1 0 226.345 1.703 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)sc1C ZINC000390786583 490221240 /nfs/dbraw/zinc/22/12/40/490221240.db2.gz QEZOYBDESZSAGE-ZETCQYMHSA-N 1 0 226.345 1.703 10 0 BDAERO C[C@@H](C[NH3+])CNc1cnc2ccccc2n1 ZINC000083387569 490229469 /nfs/dbraw/zinc/22/94/69/490229469.db2.gz CELSRVROXHFPFV-VIFPVBQESA-N 1 0 216.288 1.637 10 0 BDAERO CC[NH2+]Cc1ccc(N2CCOC[C@@H]2CC)nc1 ZINC000051446962 535477969 /nfs/dbraw/zinc/47/79/69/535477969.db2.gz XMYGFCGFJQGSBF-ZDUSSCGKSA-N 1 0 249.358 1.806 10 0 BDAERO CC1(C)CC(NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000395196818 490325445 /nfs/dbraw/zinc/32/54/45/490325445.db2.gz CRNIYQOONCRHMF-SNVBAGLBSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccnn1C ZINC000300062088 490549710 /nfs/dbraw/zinc/54/97/10/490549710.db2.gz SYDGEACIRQCKGV-AXFHLTTASA-N 1 0 223.320 1.374 10 0 BDAERO CC[C@@H](C)C[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004683 491056204 /nfs/dbraw/zinc/05/62/04/491056204.db2.gz YUWRZMYFUJAQPF-NEPJUHHUSA-N 1 0 214.353 1.343 10 0 BDAERO Cc1cc(C(C)C)nc(N(C)[C@@H](C)C[NH3+])n1 ZINC000229932873 491121235 /nfs/dbraw/zinc/12/12/35/491121235.db2.gz FDGOCCVGMJBSOC-JTQLQIEISA-N 1 0 222.336 1.692 10 0 BDAERO Cc1cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)on1 ZINC000083551032 491126458 /nfs/dbraw/zinc/12/64/58/491126458.db2.gz PKJPFBASNLCWKY-NWDGAFQWSA-N 1 0 235.331 1.652 10 0 BDAERO CC[C@@H](C)C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000309236862 491146583 /nfs/dbraw/zinc/14/65/83/491146583.db2.gz XRKHNUSBWGTSOW-VXGBXAGGSA-N 1 0 214.353 1.079 10 0 BDAERO COc1cccc([C@H](CO)[NH2+]C2CSC2)c1 ZINC000309923942 491158256 /nfs/dbraw/zinc/15/82/56/491158256.db2.gz UMOYVKRJVZYYAE-LBPRGKRZSA-N 1 0 239.340 1.434 10 0 BDAERO C[NH2+]Cc1sc(C(=O)[C@@H](C)OC)nc1C ZINC000757126122 582500404 /nfs/dbraw/zinc/50/04/04/582500404.db2.gz VIFKJDGVFRMTAO-SSDOTTSWSA-N 1 0 228.317 1.389 10 0 BDAERO Cc1nc([C@H](O)C2CCC2)sc1CC[NH3+] ZINC000757130294 582505171 /nfs/dbraw/zinc/50/51/71/582505171.db2.gz PCNVOBYLNHALDA-SNVBAGLBSA-N 1 0 226.345 1.786 10 0 BDAERO CCC[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757132086 582507260 /nfs/dbraw/zinc/50/72/60/582507260.db2.gz SRAQJCFIGKPPQQ-QMMMGPOBSA-N 1 0 200.307 1.478 10 0 BDAERO C1C[C@]2(CO1)CC[NH2+][C@]1(CCCSC1)O2 ZINC000757138856 582518314 /nfs/dbraw/zinc/51/83/14/582518314.db2.gz DVNMIXQSKIZJHW-WDEREUQCSA-N 1 0 229.345 1.379 10 0 BDAERO [NH3+]C[C@@H]1CCN1CC[C@@H]1CCCC1(F)F ZINC000757140916 582521598 /nfs/dbraw/zinc/52/15/98/582521598.db2.gz CYAWAEFMOATATM-UWVGGRQHSA-N 1 0 218.291 1.845 10 0 BDAERO COC[C@H]1CCOC2(CCC(C)CC2)[NH2+]1 ZINC000757144249 582524757 /nfs/dbraw/zinc/52/47/57/582524757.db2.gz GBNNVRIOUYLQNT-MOENNCHZSA-N 1 0 213.321 1.918 10 0 BDAERO C1C[C@@]2(CO1)CC[NH2+][C@]1(CCCOCC1)O2 ZINC000757145760 582527975 /nfs/dbraw/zinc/52/79/75/582527975.db2.gz PERYEYZFNNRCSJ-VXGBXAGGSA-N 1 0 227.304 1.052 10 0 BDAERO C[C@H]1O[C@]2(CCSC2)[NH2+]CC1(C)C ZINC000757151613 582535792 /nfs/dbraw/zinc/53/57/92/582535792.db2.gz SWDIUBVVBRAXEC-SCZZXKLOSA-N 1 0 201.335 1.854 10 0 BDAERO CCCN(CC)S(=O)(=O)C[C@@H]([NH3+])C(C)C ZINC000757151564 582535313 /nfs/dbraw/zinc/53/53/13/582535313.db2.gz IAJHNBJMCRZYEL-SNVBAGLBSA-N 1 0 236.381 1.031 10 0 BDAERO C[C@@H]1CC(C)(C)O[C@]2(CN3CCC2CC3)[NH2+]1 ZINC000757152563 582537193 /nfs/dbraw/zinc/53/71/93/582537193.db2.gz SWJFIYNGZYDLEV-MFKMUULPSA-N 1 0 224.348 1.585 10 0 BDAERO Cc1ccoc1CSCC[C@](C)([NH3+])CO ZINC000757165989 582548335 /nfs/dbraw/zinc/54/83/35/582548335.db2.gz PWCLRVNYBWNIQH-NSHDSACASA-N 1 0 229.345 1.921 10 0 BDAERO COC[C@H](C[NH3+])SCc1occc1C ZINC000757166900 582548341 /nfs/dbraw/zinc/54/83/41/582548341.db2.gz SRZVJONNTDLWIS-VIFPVBQESA-N 1 0 215.318 1.795 10 0 BDAERO C[NH2+]Cc1nc(-c2ccc(C)n2C)no1 ZINC000229003056 522149638 /nfs/dbraw/zinc/14/96/38/522149638.db2.gz BNBKOTFOJVMWQG-UHFFFAOYSA-N 1 0 206.249 1.103 10 0 BDAERO CCOC(=O)[C@H](CC)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226080404 535649016 /nfs/dbraw/zinc/64/90/16/535649016.db2.gz DSNWMYZAGFCZQT-WOPDTQHZSA-N 1 0 242.363 1.210 10 0 BDAERO Cc1cc2cccnc2cc1NC1=[NH+]CCN1 ZINC000504381260 534127259 /nfs/dbraw/zinc/12/72/59/534127259.db2.gz YFPGNXDGJPOKTI-UHFFFAOYSA-N 1 0 226.283 1.914 10 0 BDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000180631400 536160959 /nfs/dbraw/zinc/16/09/59/536160959.db2.gz ZGQWXRODGZLMIM-MNOVXSKESA-N 1 0 236.363 1.789 10 0 BDAERO Cc1ccoc1CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400559451 534447043 /nfs/dbraw/zinc/44/70/43/534447043.db2.gz HKCJJAFUDSFCOQ-QWRGUYRKSA-N 1 0 208.305 1.676 10 0 BDAERO CCN1CCO[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000238853081 521709080 /nfs/dbraw/zinc/70/90/80/521709080.db2.gz IHYHVOPKIDYLEC-CHWSQXEVSA-N 1 0 220.316 1.407 10 0 BDAERO C[NH+](C)[C@H](CO)c1cc(F)c(F)c(F)c1 ZINC000095532599 522089136 /nfs/dbraw/zinc/08/91/36/522089136.db2.gz YLSVOOABHHDEEU-SECBINFHSA-N 1 0 219.206 1.699 10 0 BDAERO C[NH2+][C@@](C)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037459053 522406749 /nfs/dbraw/zinc/40/67/49/522406749.db2.gz SDZSALRLYIKDTR-SNVBAGLBSA-N 1 0 246.232 1.625 10 0 BDAERO CC(C)(C)OC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000101745779 534909960 /nfs/dbraw/zinc/90/99/60/534909960.db2.gz IOJANHDPMBVRLJ-CABZTGNLSA-N 1 0 226.320 1.653 10 0 BDAERO Cc1nn(C[NH+]2CCC(C)CC2)c(C)c1N ZINC000062701594 526283077 /nfs/dbraw/zinc/28/30/77/526283077.db2.gz WSDIXMHRSMDXGC-UHFFFAOYSA-N 1 0 222.336 1.772 10 0 BDAERO CN1CCO[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC000091667569 536436230 /nfs/dbraw/zinc/43/62/30/536436230.db2.gz RKDWKDPVOSMQGP-AWEZNQCLSA-N 1 0 240.391 1.877 10 0 BDAERO c1csc(-c2nc([C@@H]3CC[NH2+]C3)no2)c1 ZINC000258194910 526575743 /nfs/dbraw/zinc/57/57/43/526575743.db2.gz YWQPWACVNSXQAL-SSDOTTSWSA-N 1 0 221.285 1.875 10 0 BDAERO COCCOCC[N@@H+]1CCS[C@@H](C)C1 ZINC000079413933 536501657 /nfs/dbraw/zinc/50/16/57/536501657.db2.gz ZVGMIMQRJBCUBQ-JTQLQIEISA-N 1 0 219.350 1.087 10 0 BDAERO CC(C)[N@H+](C[C@H]1CNC(=O)O1)C1CCCC1 ZINC000496135188 528935556 /nfs/dbraw/zinc/93/55/56/528935556.db2.gz VGJNKJJKAUZUPR-LLVKDONJSA-N 1 0 226.320 1.748 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)[C@H]2CCO[C@H]21 ZINC000251134538 535076587 /nfs/dbraw/zinc/07/65/87/535076587.db2.gz HPRVCTIXZCOLSP-UJPOAAIJSA-N 1 0 239.359 1.693 10 0 BDAERO CC1(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CCC1 ZINC000261952511 535277819 /nfs/dbraw/zinc/27/78/19/535277819.db2.gz ZDXMOROEOBXEBD-SNVBAGLBSA-N 1 0 224.348 1.762 10 0 BDAERO CCC[C@@H](C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000019404291 535341805 /nfs/dbraw/zinc/34/18/05/535341805.db2.gz AGJXZQQMFHGNRH-HNNXBMFYSA-N 1 0 247.386 1.936 10 0 BDAERO CCCc1cc(N2CC[NH2+]C[C@H]2C)ncn1 ZINC000054375386 535399657 /nfs/dbraw/zinc/39/96/57/535399657.db2.gz IAPNUPSXRGCKDG-SNVBAGLBSA-N 1 0 220.320 1.227 10 0 BDAERO CCOC1CCN(c2ccnc(C[NH2+]C)c2)CC1 ZINC000051448189 535400448 /nfs/dbraw/zinc/40/04/48/535400448.db2.gz BZKKYHVIXANHMU-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO CC[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000044289663 535453287 /nfs/dbraw/zinc/45/32/87/535453287.db2.gz HMCLPCZXIYTQKN-UHFFFAOYSA-N 1 0 236.340 1.735 10 0 BDAERO CC[NH2+]Cc1ccc(N2CCCCC2)nn1 ZINC000051436155 535478161 /nfs/dbraw/zinc/47/81/61/535478161.db2.gz PSFNMWYODPZAGH-UHFFFAOYSA-N 1 0 220.320 1.576 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]CCOC)C12CCOCC2 ZINC000186200657 535499307 /nfs/dbraw/zinc/49/93/07/535499307.db2.gz RSMYMMVWVXNSTG-NWDGAFQWSA-N 1 0 243.347 1.197 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000087479304 535541298 /nfs/dbraw/zinc/54/12/98/535541298.db2.gz HPQQGLOZXNUSJJ-OLZOCXBDSA-N 1 0 228.380 1.731 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)COC ZINC000177003546 535587658 /nfs/dbraw/zinc/58/76/58/535587658.db2.gz MESQLFCNSMQURB-RYUDHWBXSA-N 1 0 242.363 1.212 10 0 BDAERO CC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178294570 535812746 /nfs/dbraw/zinc/81/27/46/535812746.db2.gz UAWRLEGHAPFLPF-QWHCGFSZSA-N 1 0 237.347 1.427 10 0 BDAERO COC1CCC([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000164269670 536737268 /nfs/dbraw/zinc/73/72/68/536737268.db2.gz YTIMGTWEHVVHCW-IKWCTNDRSA-N 1 0 227.348 1.695 10 0 BDAERO COC(C)(C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226640043 536881994 /nfs/dbraw/zinc/88/19/94/536881994.db2.gz BQIMIUNBUHAVKZ-QWRGUYRKSA-N 1 0 240.347 1.107 10 0 BDAERO COc1cccc2c1N(C(=O)CCC[NH3+])CCC2 ZINC000037839083 536957631 /nfs/dbraw/zinc/95/76/31/536957631.db2.gz ITFMEACJHOQPEW-UHFFFAOYSA-N 1 0 248.326 1.713 10 0 BDAERO CN(Cc1ccsc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085010259 537972675 /nfs/dbraw/zinc/97/26/75/537972675.db2.gz HYYVRPKKJFVSFF-MNOVXSKESA-N 1 0 238.356 1.834 10 0 BDAERO C[C@@H](C(=O)N1CC([C@H](C)[NH3+])C1)C(C)(C)C ZINC000719820409 566282103 /nfs/dbraw/zinc/28/21/03/566282103.db2.gz DCPOQAGYDPULMZ-IUCAKERBSA-N 1 0 212.337 1.474 10 0 BDAERO CC[C@](C)(C[NH3+])[C@H](O)c1cnsc1 ZINC000669377247 566424039 /nfs/dbraw/zinc/42/40/39/566424039.db2.gz LBIDOEYOQSXJNN-RKDXNWHRSA-N 1 0 200.307 1.552 10 0 BDAERO CC(=O)NC[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000669380689 566425254 /nfs/dbraw/zinc/42/52/54/566425254.db2.gz SYYPTHXFBODNRN-TUAOUCFPSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1C[C@H](C)[NH2+][C@H](CN2CCOCC2)C1 ZINC000669381452 566425890 /nfs/dbraw/zinc/42/58/90/566425890.db2.gz KDZZVAZWIAEFCR-WOPDTQHZSA-N 1 0 212.337 1.095 10 0 BDAERO O=C1CC[C@@H]1CC[NH+]1CCC2(CC1)OCCO2 ZINC000669381311 566426996 /nfs/dbraw/zinc/42/69/96/566426996.db2.gz FYMVVDPCAIVQAX-LLVKDONJSA-N 1 0 239.315 1.195 10 0 BDAERO N[C@H]1C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000396908651 583093531 /nfs/dbraw/zinc/09/35/31/583093531.db2.gz HSDUYCABSJKPPH-ZJUUUORDSA-N 1 0 230.233 1.720 10 0 BDAERO C[C@H](C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)C(C)(C)C ZINC000399159919 583171931 /nfs/dbraw/zinc/17/19/31/583171931.db2.gz IPBPNGJSSLVMDG-NXEZZACHSA-N 1 0 226.364 1.864 10 0 BDAERO CC(C)[C@H]([NH2+]C1CCN(CCO)CC1)C1CC1 ZINC000399237551 583172049 /nfs/dbraw/zinc/17/20/49/583172049.db2.gz HRHJMSCYYFSFJY-AWEZNQCLSA-N 1 0 240.391 1.467 10 0 BDAERO Cc1ccc(N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111272223 588738481 /nfs/dbraw/zinc/73/84/81/588738481.db2.gz CUHXPNYZDMJBIJ-DGCLKSJQSA-N 1 0 232.327 1.813 10 0 BDAERO COc1cccc(C[NH2+][C@H](C(N)=O)C(C)C)c1 ZINC000107322902 582459974 /nfs/dbraw/zinc/45/99/74/582459974.db2.gz CVVROLJRXYIFJF-LBPRGKRZSA-N 1 0 236.315 1.295 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@@H]2[NH3+] ZINC000110915327 582468208 /nfs/dbraw/zinc/46/82/08/582468208.db2.gz BYWZUQBXSAUYII-CABZTGNLSA-N 1 0 242.319 1.114 10 0 BDAERO Cc1nc([C@@H](O)C2CC2)sc1CC[NH3+] ZINC000757129317 582503792 /nfs/dbraw/zinc/50/37/92/582503792.db2.gz MXAREIAQRDJTED-VIFPVBQESA-N 1 0 212.318 1.396 10 0 BDAERO Cc1nc([C@H](O)[C@H]2C[C@@H]2C)sc1CC[NH3+] ZINC000757129511 582503973 /nfs/dbraw/zinc/50/39/73/582503973.db2.gz NKPFULFCYOUQGG-KADJCCMJSA-N 1 0 226.345 1.642 10 0 BDAERO COCC[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757132939 582508653 /nfs/dbraw/zinc/50/86/53/582508653.db2.gz SGDJKMGUCPYMEW-ZDUSSCGKSA-N 1 0 224.348 1.193 10 0 BDAERO CCC[C@@H](O)c1nc(C[NH2+]C)cs1 ZINC000757135053 582513911 /nfs/dbraw/zinc/51/39/11/582513911.db2.gz ZWZCUUGTDIVOES-MRVPVSSYSA-N 1 0 200.307 1.696 10 0 BDAERO CC(C)[C@H]1[NH2+][C@@]2(CCN(C)C2)OCC12CCC2 ZINC000757139292 582518865 /nfs/dbraw/zinc/51/88/65/582518865.db2.gz GNXXNJUCWAIKNR-OCCSQVGLSA-N 1 0 238.375 1.833 10 0 BDAERO CC(C)[C@@H]1[NH2+][C@@]2(CCN(C)C2)OCC12CCC2 ZINC000757139290 582519153 /nfs/dbraw/zinc/51/91/53/582519153.db2.gz GNXXNJUCWAIKNR-JSGCOSHPSA-N 1 0 238.375 1.833 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1ncc(Cl)cc1F ZINC000757140810 582521384 /nfs/dbraw/zinc/52/13/84/582521384.db2.gz CNQPXMZDBOVUOQ-ZETCQYMHSA-N 1 0 215.659 1.412 10 0 BDAERO [NH3+]C[C@@H]1CCN1Cc1ncccc1Cl ZINC000757143782 582524137 /nfs/dbraw/zinc/52/41/37/582524137.db2.gz HPSAYFOFZDTYDH-QMMMGPOBSA-N 1 0 211.696 1.268 10 0 BDAERO CC1(C)C[NH2+]C(C)(C)OC12CCOCC2 ZINC000757144780 582525435 /nfs/dbraw/zinc/52/54/35/582525435.db2.gz NSRUJZMYJCDKIZ-UHFFFAOYSA-N 1 0 213.321 1.918 10 0 BDAERO CC(C)[C@H]1O[C@@]2(CCC[NH2+]C2)NCC1(C)C ZINC000757145297 582527256 /nfs/dbraw/zinc/52/72/56/582527256.db2.gz IERBJOLQBYHZGM-DGCLKSJQSA-N 1 0 226.364 1.737 10 0 BDAERO C1CC2(C1)CNC1(CC[NH2+]CC1)OC21CCC1 ZINC000757145465 582528009 /nfs/dbraw/zinc/52/80/09/582528009.db2.gz PDSXGSFXIKSLPI-UHFFFAOYSA-N 1 0 236.359 1.779 10 0 BDAERO CCC[C@@H]1CCO[C@]2(CN3CCC2CC3)[NH2+]1 ZINC000757147119 582530846 /nfs/dbraw/zinc/53/08/46/582530846.db2.gz RYAXMVYXOYROCM-OLZOCXBDSA-N 1 0 224.348 1.587 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757147391 582531216 /nfs/dbraw/zinc/53/12/16/582531216.db2.gz BNMPXLGWTVOHBZ-MNOVXSKESA-N 1 0 248.392 1.176 10 0 BDAERO Cc1cc(C[C@@H](O)[C@H](C)[NH3+])ccc1Cl ZINC000757157467 582540540 /nfs/dbraw/zinc/54/05/40/582540540.db2.gz LREZVIDXNXGAEG-GZMMTYOYSA-N 1 0 213.708 1.899 10 0 BDAERO CCc1ccc(CSC[C@H](O)C[NH3+])o1 ZINC000757163874 582545119 /nfs/dbraw/zinc/54/51/19/582545119.db2.gz FAMKJIYBXQLWGZ-MRVPVSSYSA-N 1 0 215.318 1.395 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccnc1 ZINC000757190247 582555602 /nfs/dbraw/zinc/55/56/02/582555602.db2.gz QHEYPYKRFOLBLU-NEPJUHHUSA-N 1 0 248.326 1.726 10 0 BDAERO [NH3+]CC[C@H]1CC[C@H](c2ccc(C(=O)[O-])cc2)[NH2+]C1 ZINC000757209825 582560319 /nfs/dbraw/zinc/56/03/19/582560319.db2.gz CTUMLHJVVLEYHW-ZWNOBZJWSA-N 1 0 248.326 1.774 10 0 BDAERO CC(=O)c1ccc([C@H]2C[NH2+]C[C@H](C[NH3+])C2)cc1 ZINC000757214193 582560933 /nfs/dbraw/zinc/56/09/33/582560933.db2.gz LNCOSNKVFZMPIU-SMDDNHRTSA-N 1 0 232.327 1.541 10 0 BDAERO C[C@@H]1C[C@H](C(=O)[O-])C[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757217818 582561766 /nfs/dbraw/zinc/56/17/66/582561766.db2.gz SRASQISPNQAEJI-ICCXJUOJSA-N 1 0 248.326 1.659 10 0 BDAERO CCOC(=O)[C@@H]1CC[C@@H](c2cccc(N)c2)[NH2+]C1 ZINC000757217837 582561919 /nfs/dbraw/zinc/56/19/19/582561919.db2.gz SPLYMSZWEBWHQZ-YPMHNXCESA-N 1 0 248.326 1.873 10 0 BDAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2cccc(N)c2)N1 ZINC000757218739 582563135 /nfs/dbraw/zinc/56/31/35/582563135.db2.gz WVDRUXLMMLWMQN-GGZOMVNGSA-N 1 0 205.305 1.409 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1NCC[C@H](C)[C@@H]1[NH3+] ZINC000757230023 582563523 /nfs/dbraw/zinc/56/35/23/582563523.db2.gz FTXMMFJZSSNLLZ-XDTLVQLUSA-N 1 0 219.332 1.575 10 0 BDAERO Cc1cn2c([nH+]1)N[C@H]([C@@H]1CC[C@@H](C)O1)CC2 ZINC000235385228 582575464 /nfs/dbraw/zinc/57/54/64/582575464.db2.gz WVIFYNDGPIJPLZ-VWYCJHECSA-N 1 0 221.304 1.943 10 0 BDAERO CC1(C)C[C@@]2(CCO1)[NH2+]CCc1nc[nH]c12 ZINC000400485352 582579065 /nfs/dbraw/zinc/57/90/65/582579065.db2.gz FSWBYTWZKDYNNP-GFCCVEGCSA-N 1 0 221.304 1.340 10 0 BDAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2c2ccncc2)N1 ZINC000235435520 582579993 /nfs/dbraw/zinc/57/99/93/582579993.db2.gz WJDDQTZWMKWWTP-KOLCDFICSA-N 1 0 216.288 1.176 10 0 BDAERO CSC[C@@H](C)c1nc([C@@H](C)C[NH3+])no1 ZINC000300775981 582580726 /nfs/dbraw/zinc/58/07/26/582580726.db2.gz MGCUQJUDABKFFT-NKWVEPMBSA-N 1 0 215.322 1.598 10 0 BDAERO Cc1ccc([C@H]2CC[NH+]=C(N)N2)cc1F ZINC000235895008 582619380 /nfs/dbraw/zinc/61/93/80/582619380.db2.gz BVKISIIGJMFIJY-SNVBAGLBSA-N 1 0 207.252 1.483 10 0 BDAERO O=Cc1cccc(Cl)c1N1CC[NH2+]CC1 ZINC000236027880 582636363 /nfs/dbraw/zinc/63/63/63/582636363.db2.gz CVQCFCVHLHGVPO-UHFFFAOYSA-N 1 0 224.691 1.562 10 0 BDAERO Cc1cn2c([nH+]1)N[C@H]([C@H]1CCOC1)CC2 ZINC000236043930 582637491 /nfs/dbraw/zinc/63/74/91/582637491.db2.gz YVVDXEXZHSBZBE-UWVGGRQHSA-N 1 0 207.277 1.412 10 0 BDAERO Cc1cn2c([nH+]1)N[C@@H](c1cnn(C)c1)CC2 ZINC000236044895 582637505 /nfs/dbraw/zinc/63/75/05/582637505.db2.gz WVWNOVUYIVGQRT-SNVBAGLBSA-N 1 0 217.276 1.482 10 0 BDAERO [NH3+]C[C@H]1CCNc2nc(C(F)(F)F)cn21 ZINC000236187772 582641225 /nfs/dbraw/zinc/64/12/25/582641225.db2.gz SNAJZSMUDXUPQP-RXMQYKEDSA-N 1 0 220.198 1.217 10 0 BDAERO [NH3+]C[C@@H]1CCNc2cc(C(F)(F)F)nn21 ZINC000236234793 582642627 /nfs/dbraw/zinc/64/26/27/582642627.db2.gz WSSVFDGJZRQNPJ-YFKPBYRVSA-N 1 0 220.198 1.217 10 0 BDAERO [NH3+]C[C@H]1CCNc2nc3ccccc3n21 ZINC000236251873 582643371 /nfs/dbraw/zinc/64/33/71/582643371.db2.gz YTPFGCOCLQMHQZ-MRVPVSSYSA-N 1 0 202.261 1.352 10 0 BDAERO Nc1[nH+]ccn1Cc1cc(F)ccc1F ZINC000037483144 582675121 /nfs/dbraw/zinc/67/51/21/582675121.db2.gz SHOZSWIVNICNSS-UHFFFAOYSA-N 1 0 209.199 1.792 10 0 BDAERO Fc1ccc(-c2cnnn2[C@H]2CC[NH2+]C2)cc1 ZINC000258904769 582752800 /nfs/dbraw/zinc/75/28/00/582752800.db2.gz OLOXLBRPHILTPT-NSHDSACASA-N 1 0 232.262 1.619 10 0 BDAERO CC(C)NC(=O)NC[C@H]([NH3+])C1CCCC1 ZINC000725255046 582759714 /nfs/dbraw/zinc/75/97/14/582759714.db2.gz PIILIQWQVXHHDW-JTQLQIEISA-N 1 0 213.325 1.212 10 0 BDAERO CC(C)[NH2+]C[C@@H](N)c1ccc2c(c1)CCO2 ZINC000259138468 582806178 /nfs/dbraw/zinc/80/61/78/582806178.db2.gz CRDNNKNDQBEDPC-GFCCVEGCSA-N 1 0 220.316 1.619 10 0 BDAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000111690075 582817884 /nfs/dbraw/zinc/81/78/84/582817884.db2.gz OVPMYMKOKXOUGW-LBPRGKRZSA-N 1 0 240.347 1.156 10 0 BDAERO Cc1occc1C[NH2+][C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888076242 582835046 /nfs/dbraw/zinc/83/50/46/582835046.db2.gz MVCCOMNWMBEZEY-YNEHKIRRSA-N 1 0 247.298 1.249 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000394581321 582995612 /nfs/dbraw/zinc/99/56/12/582995612.db2.gz ZDCVDLBIRRZREU-STQMWFEESA-N 1 0 228.380 1.611 10 0 BDAERO C[C@@H]1C[C@]2(CN1C)[NH2+]CCc1sccc12 ZINC000397191914 583098495 /nfs/dbraw/zinc/09/84/95/583098495.db2.gz PCFMPLLGZGJXIH-BXKDBHETSA-N 1 0 222.357 1.813 10 0 BDAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H]([NH3+])[C@@H]21 ZINC000756957834 586421235 /nfs/dbraw/zinc/42/12/35/586421235.db2.gz DMBGWVCELMTFCO-OPRDCNLKSA-N 1 0 226.320 1.733 10 0 BDAERO [NH3+]C[C@H]1CCN1c1snc2ccccc21 ZINC000757139866 586427656 /nfs/dbraw/zinc/42/76/56/586427656.db2.gz CVCZARQIGLRCBJ-MRVPVSSYSA-N 1 0 219.313 1.834 10 0 BDAERO FC(F)[C@H]1CC[NH2+][C@@]2(CCCOCC2)O1 ZINC000757140536 586427845 /nfs/dbraw/zinc/42/78/45/586427845.db2.gz JIONXPOSLOJUEU-SCZZXKLOSA-N 1 0 221.247 1.527 10 0 BDAERO C1C[C@]2(CO1)CC[NH2+]C1(CCCCC1)O2 ZINC000757138285 586427907 /nfs/dbraw/zinc/42/79/07/586427907.db2.gz BAIQTVUXWABNPU-NSHDSACASA-N 1 0 211.305 1.816 10 0 BDAERO Fc1ccccc1[C@H]1CCO[C@]2(CC[NH2+]C2)N1 ZINC000757144070 586428222 /nfs/dbraw/zinc/42/82/22/586428222.db2.gz FYQFQAMTXOUUCK-OLZOCXBDSA-N 1 0 236.290 1.566 10 0 BDAERO Cc1cc(C[C@@H](O)C2C[NH2+]C2)ccc1Cl ZINC000757161417 586431085 /nfs/dbraw/zinc/43/10/85/586431085.db2.gz VIRNFESLBMZFLF-GFCCVEGCSA-N 1 0 225.719 1.771 10 0 BDAERO NC(=O)[C@@H]([NH3+])CCSCc1ccc(Cl)o1 ZINC000757162458 586432004 /nfs/dbraw/zinc/43/20/04/586432004.db2.gz DMTUFWVWISPTBX-ZETCQYMHSA-N 1 0 248.735 1.369 10 0 BDAERO [NH3+]C[C@H]1CC(=O)Nc2cc(F)c(F)cc21 ZINC000757175998 586432883 /nfs/dbraw/zinc/43/28/83/586432883.db2.gz URTWMIYGTXWKLL-RXMQYKEDSA-N 1 0 212.199 1.349 10 0 BDAERO COc1cc2c(cc1F)[C@@H](C[NH3+])CC(=O)N2 ZINC000757175955 586432969 /nfs/dbraw/zinc/43/29/69/586432969.db2.gz PAHIJDIFPDONQF-ZCFIWIBFSA-N 1 0 224.235 1.219 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC12CC(CF)(CF)C2 ZINC000757184884 586434117 /nfs/dbraw/zinc/43/41/17/586434117.db2.gz NLTNCCOFNGKDSC-QMMMGPOBSA-N 1 0 233.258 1.084 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCS[C@@H]2C ZINC000757185721 586434155 /nfs/dbraw/zinc/43/41/55/586434155.db2.gz RRUMTLJSRZZEAA-WCABBAIRSA-N 1 0 229.345 1.281 10 0 BDAERO CC(=O)c1ccc([C@@H]2NCCC[C@@H]2[NH3+])cc1 ZINC000757211017 586437236 /nfs/dbraw/zinc/43/72/36/586437236.db2.gz FFSUSPLQSQMTOG-STQMWFEESA-N 1 0 218.300 1.641 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+][C@H](c2cccc(C=O)c2)C1 ZINC000757212312 586439312 /nfs/dbraw/zinc/43/93/12/586439312.db2.gz HZWNDWUVEPJJFW-OLZOCXBDSA-N 1 0 247.294 1.713 10 0 BDAERO [NH3+][C@H]1CCCN[C@@H]1c1ccc(C=O)s1 ZINC000757213077 586439379 /nfs/dbraw/zinc/43/93/79/586439379.db2.gz KSXGGGSFEFLJLI-WPRPVWTQSA-N 1 0 210.302 1.312 10 0 BDAERO CC(=O)c1cccc([C@@H]2C[NH2+]C[C@@H](N)C2)c1 ZINC000757212499 586439515 /nfs/dbraw/zinc/43/95/15/586439515.db2.gz IPXBMZFTKIKXKY-STQMWFEESA-N 1 0 218.300 1.293 10 0 BDAERO [NH3+][C@@H]1CCCN[C@H]1c1cccc(C=O)c1 ZINC000757213436 586439905 /nfs/dbraw/zinc/43/99/05/586439905.db2.gz KFLYDZYUGRYZNT-NEPJUHHUSA-N 1 0 204.273 1.251 10 0 BDAERO CCOC(=O)[C@@H]1CCC[NH2+][C@@H]1c1cccc(N)c1 ZINC000757217134 586441411 /nfs/dbraw/zinc/44/14/11/586441411.db2.gz RFWJFLUUPUMVHZ-CHWSQXEVSA-N 1 0 248.326 1.873 10 0 BDAERO C[C@@H]1N[C@H](c2cccc(C=O)c2)CC[C@@H]1[NH3+] ZINC000757217463 586441648 /nfs/dbraw/zinc/44/16/48/586441648.db2.gz RUMWKIWYBQBFRZ-XDTLVQLUSA-N 1 0 218.300 1.639 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+][C@@H](c2cccc(N)c2)C1 ZINC000757217931 586441749 /nfs/dbraw/zinc/44/17/49/586441749.db2.gz UANULVXZCCZGTP-ZYHUDNBSSA-N 1 0 234.299 1.483 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+][C@H](c2cccc(N)c2)C1 ZINC000757217925 586441795 /nfs/dbraw/zinc/44/17/95/586441795.db2.gz UANULVXZCCZGTP-PWSUYJOCSA-N 1 0 234.299 1.483 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757220033 586442055 /nfs/dbraw/zinc/44/20/55/586442055.db2.gz ZSERAYIDWPRVBB-CABZTGNLSA-N 1 0 234.299 1.384 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2C[C@@H](C(=O)[O-])CC[NH2+]2)c1 ZINC000757219326 586442430 /nfs/dbraw/zinc/44/24/30/586442430.db2.gz WVBVZWCIEBWIGF-RYUDHWBXSA-N 1 0 234.299 1.271 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN[C@@H]1c1cnn(C(C)(C)C)c1 ZINC000757229311 586442625 /nfs/dbraw/zinc/44/26/25/586442625.db2.gz DPEMLNDRVLDJIO-JLLWLGSASA-N 1 0 236.363 1.636 10 0 BDAERO CCn1cc([C@@H]2CC[C@H]([NH3+])[C@H](C)N2)cn1 ZINC000757228155 586442725 /nfs/dbraw/zinc/44/27/25/586442725.db2.gz BWDZMHPSVWTBBV-LSJOCFKGSA-N 1 0 208.309 1.043 10 0 BDAERO CC(C)(C)n1cc([C@@H]2CC[C@H](CN)[NH2+]C2)cn1 ZINC000757227132 586442807 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632813052 /nfs/dbraw/zinc/81/30/52/632813052.db2.gz SZFDCIHJZUSBDB-XVKPBYJWSA-N 1 0 242.754 1.161 10 0 BDAERO COC[C@@]1(c2nc(C(C)(C)C)no2)CC[NH2+]C1 ZINC000310389564 635844183 /nfs/dbraw/zinc/84/41/83/635844183.db2.gz DHRCYLOKNFONLL-GFCCVEGCSA-N 1 0 239.319 1.245 10 0 BDAERO CC[C@@H]([NH2+]CCc1nnnn1C)C(C)(C)C ZINC000393779592 632996274 /nfs/dbraw/zinc/99/62/74/632996274.db2.gz QDYXCDBUAITVKM-SECBINFHSA-N 1 0 225.340 1.167 10 0 BDAERO OCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]1O ZINC000704106557 633045862 /nfs/dbraw/zinc/04/58/62/633045862.db2.gz FZJQNHDXOQLQLP-QWHCGFSZSA-N 1 0 221.300 1.004 10 0 BDAERO CCOC(C[N@@H+]1CC[C@H](CCO)C1)OCC ZINC000163993615 633068277 /nfs/dbraw/zinc/06/82/77/633068277.db2.gz UGCYEMKNMGUGCK-LLVKDONJSA-N 1 0 231.336 1.090 10 0 BDAERO CCCOc1ccnc(NCC[C@H](C)[NH3+])n1 ZINC000166554685 633118400 /nfs/dbraw/zinc/11/84/00/633118400.db2.gz XNDSULBOMIMNEK-VIFPVBQESA-N 1 0 224.308 1.415 10 0 BDAERO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000309756800 633238608 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ZINC000714008911 712477517 /nfs/dbraw/zinc/47/75/17/712477517.db2.gz UOPOHYFRWNEEKS-UHFFFAOYSA-N 1 0 227.333 1.361 10 0 BDAERO CCCn1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)nn1 ZINC000714403804 712485022 /nfs/dbraw/zinc/48/50/22/712485022.db2.gz LLNZSIJHILOCFF-CMPLNLGQSA-N 1 0 238.335 1.081 10 0 BDAERO CCCn1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)nn1 ZINC000714403808 712484966 /nfs/dbraw/zinc/48/49/66/712484966.db2.gz LLNZSIJHILOCFF-PWSUYJOCSA-N 1 0 238.335 1.081 10 0 BDAERO COc1ccsc1C(=O)NCC1CC([NH3+])C1 ZINC000715092639 712507827 /nfs/dbraw/zinc/50/78/27/712507827.db2.gz UYMVGIVVKUHFJL-UHFFFAOYSA-N 1 0 240.328 1.224 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cccc(Cl)n2)C1 ZINC000715126108 712511522 /nfs/dbraw/zinc/51/15/22/712511522.db2.gz VIOLUFMNOYNWFS-UHFFFAOYSA-N 1 0 239.706 1.202 10 0 BDAERO CCc1cc(NC[C@H]2C[C@@H]([NH3+])C2)nc(C)n1 ZINC000715146912 712512342 /nfs/dbraw/zinc/51/23/42/712512342.db2.gz QEKAQDVAUDCQIH-AOOOYVTPSA-N 1 0 220.320 1.497 10 0 BDAERO CCCn1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C)nn1 ZINC000715840282 712535180 /nfs/dbraw/zinc/53/51/80/712535180.db2.gz FUEXJOXBLBGWMO-KXUCPTDWSA-N 1 0 208.309 1.747 10 0 BDAERO CCCn1cc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)nn1 ZINC000715936466 712544206 /nfs/dbraw/zinc/54/42/06/712544206.db2.gz RJBHIWZRVWJZGP-AXFHLTTASA-N 1 0 238.335 1.516 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000716685915 712570092 /nfs/dbraw/zinc/57/00/92/712570092.db2.gz WQHGXGZXIYFVNU-MGEHAVSKSA-N 1 0 222.332 1.419 10 0 BDAERO CC(C)[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716687219 712570513 /nfs/dbraw/zinc/57/05/13/712570513.db2.gz PGNSUGIREXILOW-ADPBJBESSA-N 1 0 240.347 1.044 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cccs1 ZINC000716746678 712571871 /nfs/dbraw/zinc/57/18/71/712571871.db2.gz SNRYLLCKZURHTH-AFPNSQJFSA-N 1 0 224.329 1.663 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000717091503 712630086 /nfs/dbraw/zinc/63/00/86/712630086.db2.gz LTVBUBULQHXMMD-GMTAPVOTSA-N 1 0 240.347 1.140 10 0 BDAERO CC1(C)C[C@]1(C)C[NH2+]CC1(O)CCOCC1 ZINC000717068560 712627627 /nfs/dbraw/zinc/62/76/27/712627627.db2.gz RJKMNXCCHDFLNY-GFCCVEGCSA-N 1 0 227.348 1.554 10 0 BDAERO CC(C)(F)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000379971940 712642730 /nfs/dbraw/zinc/64/27/30/712642730.db2.gz PQIZNQWNJLRLJG-JVHMLUBASA-N 1 0 214.284 1.134 10 0 BDAERO CCc1nnc(C[NH2+]C2(C3CC3)CCC2)n1C ZINC000717834885 712686296 /nfs/dbraw/zinc/68/62/96/712686296.db2.gz FRFJIKGZLBHXML-UHFFFAOYSA-N 1 0 234.347 1.800 10 0 BDAERO C[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)C[C@@H](C)O1 ZINC000037632210 712705112 /nfs/dbraw/zinc/70/51/12/712705112.db2.gz FGWMYTUIZVMRFW-GHMZBOCLSA-N 1 0 242.363 1.400 10 0 BDAERO Cc1coc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000718142776 712748017 /nfs/dbraw/zinc/74/80/17/712748017.db2.gz DFRJMEUGTYGALG-MNOVXSKESA-N 1 0 209.289 1.981 10 0 BDAERO Cc1coc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000718142777 712748072 /nfs/dbraw/zinc/74/80/72/712748072.db2.gz DFRJMEUGTYGALG-QWRGUYRKSA-N 1 0 209.289 1.981 10 0 BDAERO C[NH2+]CCCCC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000719713848 712823378 /nfs/dbraw/zinc/82/33/78/712823378.db2.gz CAVBVDGYIIBDFT-GHMZBOCLSA-N 1 0 228.336 1.060 10 0 BDAERO COCCC[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720591563 712855802 /nfs/dbraw/zinc/85/58/02/712855802.db2.gz PCEAUQKUUCTUKE-UWVGGRQHSA-N 1 0 226.324 1.281 10 0 BDAERO CCCc1noc([C@@H]2C[NH2+]C[C@H]2C(F)(F)F)n1 ZINC000720667966 712861447 /nfs/dbraw/zinc/86/14/47/712861447.db2.gz ZTZUBJCFCIMAOK-RNFRBKRXSA-N 1 0 249.236 1.887 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720788260 712865132 /nfs/dbraw/zinc/86/51/32/712865132.db2.gz IUZIJSBIPIDZJG-ZDEQEGDKSA-N 1 0 224.348 1.367 10 0 BDAERO CC1(C)CN(c2cn[nH]c(=O)c2Cl)C[C@H]1[NH3+] ZINC000720747468 712863282 /nfs/dbraw/zinc/86/32/82/712863282.db2.gz LRWQAPBRWFQANE-SSDOTTSWSA-N 1 0 242.710 1.009 10 0 BDAERO Cc1ccc(-c2cnn(CC[NH3+])c2)c(F)c1 ZINC000721199007 712897201 /nfs/dbraw/zinc/89/72/01/712897201.db2.gz UMBHAQHYRHTBBF-UHFFFAOYSA-N 1 0 219.263 1.956 10 0 BDAERO C1CC12C[C@H]2c1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000721234613 712899900 /nfs/dbraw/zinc/89/99/00/712899900.db2.gz KUYIWFLSPQXNQO-XFWSIPNHSA-N 1 0 231.299 1.660 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccc(F)cn1 ZINC000723811202 710733461 /nfs/dbraw/zinc/73/34/61/710733461.db2.gz RJBAXWNFOIAAJB-BDAKNGLRSA-N 1 0 209.268 1.488 10 0 BDAERO CC(C)NC(=[NH2+])NCC1C[C@H](C)O[C@@H](C)C1 ZINC000724461433 710740458 /nfs/dbraw/zinc/74/04/58/710740458.db2.gz WTOZRQJRKJLVPD-UWVGGRQHSA-N 1 0 227.352 1.712 10 0 BDAERO OCC1CC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723631552 711527375 /nfs/dbraw/zinc/52/73/75/711527375.db2.gz CWOQFWRYUZPAOO-VWGAPNJBSA-N 1 0 239.359 1.552 10 0 BDAERO C[C@@H]1CN(c2ncccc2F)C[C@H]1CC[NH3+] ZINC000723887859 711544388 /nfs/dbraw/zinc/54/43/88/711544388.db2.gz ZANIBLQEZIXZMR-NXEZZACHSA-N 1 0 223.295 1.642 10 0 BDAERO Cc1cnc(C[NH2+][C@@H]2CCO[C@@H]2C)c(C)c1 ZINC000724023308 711557047 /nfs/dbraw/zinc/55/70/47/711557047.db2.gz MUYPNWOEQDVELX-VXGBXAGGSA-N 1 0 220.316 1.965 10 0 BDAERO Cc1cnc(C[NH2+]CC(C)(C)O)c(C)c1 ZINC000724101829 711561155 /nfs/dbraw/zinc/56/11/55/711561155.db2.gz RMRGMHGNFCPSID-UHFFFAOYSA-N 1 0 208.305 1.559 10 0 BDAERO OCC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C1CCCC1 ZINC000725109397 711651921 /nfs/dbraw/zinc/65/19/21/711651921.db2.gz AEUMSBWUIJZRQF-JHJVBQTASA-N 1 0 227.348 1.431 10 0 BDAERO COC1(C[C@H](C)[NH2+][C@H](C)[C@@H](C)O)CCC1 ZINC000308949626 711653773 /nfs/dbraw/zinc/65/37/73/711653773.db2.gz ORTJSMCRPYZSSH-HBNTYKKESA-N 1 0 215.337 1.693 10 0 BDAERO CCCNC(=O)c1cn[nH]c1[C@H]1CCCC[NH2+]1 ZINC000725349867 711664123 /nfs/dbraw/zinc/66/41/23/711664123.db2.gz IUASFYYFGQROEQ-SNVBAGLBSA-N 1 0 236.319 1.364 10 0 BDAERO Cn1ncc2c1ncnc2NCCCCCC[NH3+] ZINC000236096285 711670977 /nfs/dbraw/zinc/67/09/77/711670977.db2.gz ZLZFFFRSOBULSP-UHFFFAOYSA-N 1 0 248.334 1.294 10 0 BDAERO CCCn1cc(NC(=O)C[C@@H]([NH3+])C(C)C)cn1 ZINC000722373879 711751754 /nfs/dbraw/zinc/75/17/54/711751754.db2.gz UBPNZASFGAKYGG-LLVKDONJSA-N 1 0 238.335 1.605 10 0 BDAERO CCCc1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000721265083 711805622 /nfs/dbraw/zinc/80/56/22/711805622.db2.gz FNACLDSJLJKUSF-WEDXCCLWSA-N 1 0 207.277 1.345 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000227822125 711833112 /nfs/dbraw/zinc/83/31/12/711833112.db2.gz YDHFKKDDGRZQOC-KGYLQXTDSA-N 1 0 221.300 1.487 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C2CC2)n[nH]1 ZINC000238006825 711885887 /nfs/dbraw/zinc/88/58/87/711885887.db2.gz BWASSJMSVTVXFN-UWVGGRQHSA-N 1 0 248.330 1.144 10 0 BDAERO CCCCSCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708843279 711973588 /nfs/dbraw/zinc/97/35/88/711973588.db2.gz NPXONFOIIFLAGL-WDEREUQCSA-N 1 0 244.404 1.573 10 0 BDAERO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000700527286 711996832 /nfs/dbraw/zinc/99/68/32/711996832.db2.gz INQRMWNKJHNTQG-QWRGUYRKSA-N 1 0 242.363 1.021 10 0 BDAERO [NH3+]CCc1noc([C@H]2Cc3ccccc3CO2)n1 ZINC000700675398 712001706 /nfs/dbraw/zinc/00/17/06/712001706.db2.gz ITRGPVAWAHQQMU-LLVKDONJSA-N 1 0 245.282 1.385 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1nccc(C(C)(C)C)n1 ZINC000700734809 712004598 /nfs/dbraw/zinc/00/45/98/712004598.db2.gz VVSZEASFJTXNDM-VHSXEESVSA-N 1 0 234.347 1.936 10 0 BDAERO CC(C)c1cnc(CN2C[C@@H](C)[C@@H]([NH3+])C2)o1 ZINC000700789174 712005326 /nfs/dbraw/zinc/00/53/26/712005326.db2.gz XQPCEVMEYRTZPL-ZJUUUORDSA-N 1 0 223.320 1.577 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(CO)cc1 ZINC000700769596 712006029 /nfs/dbraw/zinc/00/60/29/712006029.db2.gz UAXAKUBFVBPUDT-QWHCGFSZSA-N 1 0 248.326 1.036 10 0 BDAERO C[NH+](C)C[C@H](N)c1nc(CC(C)(C)C)no1 ZINC000702205946 712040185 /nfs/dbraw/zinc/04/01/85/712040185.db2.gz AZVGGLGYKXYELD-QMMMGPOBSA-N 1 0 226.324 1.220 10 0 BDAERO O=C(N[C@@H]1C=CCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000702180439 712040687 /nfs/dbraw/zinc/04/06/87/712040687.db2.gz VILZKVVHOXJDNC-LOWVWBTDSA-N 1 0 220.316 1.211 10 0 BDAERO C[NH+](C)C[C@H](N)c1nc([C@H]2CC2(C)C)no1 ZINC000702197955 712040732 /nfs/dbraw/zinc/04/07/32/712040732.db2.gz FFCJKEXBZRIDQK-SFYZADRCSA-N 1 0 224.308 1.145 10 0 BDAERO CO[C@](C)(CO)C[NH2+]CCc1ccccc1 ZINC000702529847 712054213 /nfs/dbraw/zinc/05/42/13/712054213.db2.gz YJDVBELDHPPKCW-ZDUSSCGKSA-N 1 0 223.316 1.216 10 0 BDAERO C[NH2+]CCc1noc(C[C@@H](C)C(F)(F)F)n1 ZINC000705469112 712132151 /nfs/dbraw/zinc/13/21/51/712132151.db2.gz CHFWABRMCHXGPD-ZCFIWIBFSA-N 1 0 237.225 1.572 10 0 BDAERO C[C@H]1CN(C(=O)c2ccnc(Cl)c2)C[C@H]1[NH3+] ZINC000706052833 712139508 /nfs/dbraw/zinc/13/95/08/712139508.db2.gz JDPLOSJPBIETFD-IONNQARKSA-N 1 0 239.706 1.154 10 0 BDAERO [NH3+]C1CC(CNC(=O)[C@H]2CCCC23CC3)C1 ZINC000706195827 712142133 /nfs/dbraw/zinc/14/21/33/712142133.db2.gz DOHFEXWQPHJAKH-VQXHTEKXSA-N 1 0 222.332 1.420 10 0 BDAERO CSC1CC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000706878911 712157835 /nfs/dbraw/zinc/15/78/35/712157835.db2.gz VXICUDQFXVKHNL-SEZDTBSWSA-N 1 0 228.361 1.137 10 0 BDAERO CSC1CC([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000706956293 712163518 /nfs/dbraw/zinc/16/35/18/712163518.db2.gz JLGVZQJMAQHHJT-UDNWOFFPSA-N 1 0 217.378 1.877 10 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FTKHGIXUYKWKHQ-WISYIIOYSA-N 1 0 240.347 1.058 10 0 BDAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ncnc3c1CCC3)C2 ZINC000709803045 712227195 /nfs/dbraw/zinc/22/71/95/712227195.db2.gz NLZJATUSAOITMX-DCAQKATOSA-N 1 0 244.342 1.281 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cn(C)cn1 ZINC000709895101 712231123 /nfs/dbraw/zinc/23/11/23/712231123.db2.gz FLTDGAIBHOBEGZ-QJPTWQEYSA-N 1 0 237.347 1.622 10 0 BDAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cn(C)cn1 ZINC000709927944 712233621 /nfs/dbraw/zinc/23/36/21/712233621.db2.gz VZUIRHODSBCBJW-KOLCDFICSA-N 1 0 225.336 1.478 10 0 BDAERO CC(C)(O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710671565 712265136 /nfs/dbraw/zinc/26/51/36/712265136.db2.gz RUYOJSHYKWFULW-SECBINFHSA-N 1 0 226.345 1.703 10 0 BDAERO CC[C@]1(O)CCC[N@H+](CC2CC(OC)C2)C1 ZINC000710662980 712265367 /nfs/dbraw/zinc/26/53/67/712265367.db2.gz UUVYETOSWJAYCL-BPCQOVAHSA-N 1 0 227.348 1.648 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710930458 712265916 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ZINC000711806444 712332850 /nfs/dbraw/zinc/33/28/50/712332850.db2.gz IRPKIZZPVAEPEW-LBPRGKRZSA-N 1 0 234.347 1.531 10 0 BDAERO C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCC1 ZINC000713201739 712454861 /nfs/dbraw/zinc/45/48/61/712454861.db2.gz YQSXMRGWTQAEEG-TWJQMWNJSA-N 1 0 236.359 1.809 10 0 BDAERO Cc1nnc(N(C)C2(C[NH3+])CCCCC2)nc1C ZINC000713300810 712458480 /nfs/dbraw/zinc/45/84/80/712458480.db2.gz SFWHKYITRQOUFQ-UHFFFAOYSA-N 1 0 249.362 1.586 10 0 BDAERO COCC1CC([NH2+]Cc2conc2C)C1 ZINC000713478122 712461592 /nfs/dbraw/zinc/46/15/92/712461592.db2.gz VYFSIDYTVUKTGG-UHFFFAOYSA-N 1 0 210.277 1.498 10 0 BDAERO Cc1ccc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)c(C)c1 ZINC000713777705 712472289 /nfs/dbraw/zinc/47/22/89/712472289.db2.gz BHUXQRJMZCCGLX-RYUDHWBXSA-N 1 0 248.326 1.606 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CO[C@H](C[NH3+])C2)cc1 ZINC000713792438 712472336 /nfs/dbraw/zinc/47/23/36/712472336.db2.gz JCFFUYKESCUWQN-PWSUYJOCSA-N 1 0 234.299 1.297 10 0 BDAERO COCC1CC([NH2+]Cc2c(C)noc2C)C1 ZINC000713916413 712472889 /nfs/dbraw/zinc/47/28/89/712472889.db2.gz INXSIZLAHRQPPX-UHFFFAOYSA-N 1 0 224.304 1.806 10 0 BDAERO CCSCC[NH2+]C1CC(COC)C1 ZINC000713957719 712475131 /nfs/dbraw/zinc/47/51/31/712475131.db2.gz CLDUHDHPDCRMNS-UHFFFAOYSA-N 1 0 203.351 1.754 10 0 BDAERO CCC[C@H](C[NH2+]C1CC(COC)C1)OC ZINC000713961681 712475136 /nfs/dbraw/zinc/47/51/36/712475136.db2.gz UAZNVUDUMNVEJD-HTAVTVPLSA-N 1 0 215.337 1.816 10 0 BDAERO COCC1CC([NH2+]CC2(O)CCCCC2)C1 ZINC000713977878 712475548 /nfs/dbraw/zinc/47/55/48/712475548.db2.gz MKXNSSPSFFLVSM-UHFFFAOYSA-N 1 0 227.348 1.696 10 0 BDAERO COCC1CC([NH2+]CC2(COC)CCC2)C1 ZINC000713976396 712475604 /nfs/dbraw/zinc/47/56/04/712475604.db2.gz FNMJXVPIXIYWBP-UHFFFAOYSA-N 1 0 227.348 1.818 10 0 BDAERO COCC1CC([NH2+][C@@H]2COCC2(C)C)C1 ZINC000713971265 712475606 /nfs/dbraw/zinc/47/56/06/712475606.db2.gz OPUAECYNQDLGCY-VQXHTEKXSA-N 1 0 213.321 1.426 10 0 BDAERO COCC1CC([NH2+]Cc2ccns2)C1 ZINC000713971976 712475609 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Cc1coc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000718068324 712740988 /nfs/dbraw/zinc/74/09/88/712740988.db2.gz SXSAHWDCPGRBRP-GXSJLCMTSA-N 1 0 222.288 1.345 10 0 BDAERO CC[C@@H](C)c1noc(CC2CC([NH3+])C2)n1 ZINC000718093143 712742219 /nfs/dbraw/zinc/74/22/19/712742219.db2.gz ZGBRTBGXOHQANX-AFPNSQJFSA-N 1 0 209.293 1.863 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCc1cnc(Cl)s1 ZINC000718181235 712751818 /nfs/dbraw/zinc/75/18/18/712751818.db2.gz SVUQECGUFVNYDP-ZETCQYMHSA-N 1 0 247.751 1.540 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000718349923 712756366 /nfs/dbraw/zinc/75/63/66/712756366.db2.gz CFYMMZFCXRZPBL-IUCAKERBSA-N 1 0 234.290 1.679 10 0 BDAERO C[C@@H]1CO[C@@H](C(=O)N(C)[C@H]2CCC[NH2+]CC2)C1 ZINC000718527482 712770779 /nfs/dbraw/zinc/77/07/79/712770779.db2.gz DNRWKTKZIKTQIA-SDDRHHMPSA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000037888282 712780760 /nfs/dbraw/zinc/78/07/60/712780760.db2.gz OGPOPTAQAIVPBY-SNVBAGLBSA-N 1 0 245.269 1.359 10 0 BDAERO CC1([NH3+])CCN(c2ccnc3ncccc23)CC1 ZINC000718989384 712792388 /nfs/dbraw/zinc/79/23/88/712792388.db2.gz LUUSNMVIMCYFKA-UHFFFAOYSA-N 1 0 242.326 1.947 10 0 BDAERO C[C@@H](NCc1ncc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000719402621 712807602 /nfs/dbraw/zinc/80/76/02/712807602.db2.gz SSKNPCABJFESLO-SFYZADRCSA-N 1 0 245.779 1.884 10 0 BDAERO C[NH2+]CCCCC(=O)NCC[C@H]1CCCO1 ZINC000719713629 712823422 /nfs/dbraw/zinc/82/34/22/712823422.db2.gz ANMABBCOVIPCNH-LLVKDONJSA-N 1 0 228.336 1.061 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC000719837432 712823630 /nfs/dbraw/zinc/82/36/30/712823630.db2.gz BULXWLFBLBJFGW-JTQLQIEISA-N 1 0 226.345 1.390 10 0 BDAERO C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1[NH3+] ZINC000720457444 712844426 /nfs/dbraw/zinc/84/44/26/712844426.db2.gz GLTADZPOJYOJNO-HTQZYQBOSA-N 1 0 232.274 1.227 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1(C)CC(F)(F)C1 ZINC000720457348 712844474 /nfs/dbraw/zinc/84/44/74/712844474.db2.gz FWWRZDFOSGJUTC-SFYZADRCSA-N 1 0 232.274 1.370 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000720532861 712849750 /nfs/dbraw/zinc/84/97/50/712849750.db2.gz LBINBNDVGWPKJQ-CYBMUJFWSA-N 1 0 241.294 1.213 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720560726 712851092 /nfs/dbraw/zinc/85/10/92/712851092.db2.gz IGGRPDFQLJLMOQ-RFQIPJPRSA-N 1 0 239.359 1.648 10 0 BDAERO Cc1cc(C[N@H+]2CCC[C@H](O)[C@H]2C)c(C)nn1 ZINC000720600033 712857058 /nfs/dbraw/zinc/85/70/58/712857058.db2.gz LOUBLQXFWJYQMF-YPMHNXCESA-N 1 0 235.331 1.439 10 0 BDAERO C[NH2+]CCN(c1ncnc2c1CCCC2)C(C)C ZINC000720800499 712866392 /nfs/dbraw/zinc/86/63/92/712866392.db2.gz QOMMLMAHVFSJIA-UHFFFAOYSA-N 1 0 248.374 1.790 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cnn1C ZINC000720866331 712871774 /nfs/dbraw/zinc/87/17/74/712871774.db2.gz RTFOYZNPTAFOBU-FPMFFAJLSA-N 1 0 249.358 1.776 10 0 BDAERO CC[C@@H]1OCC[C@@H]1c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000721109615 712891094 /nfs/dbraw/zinc/89/10/94/712891094.db2.gz VYHTWNPQGAHAGI-UTLUCORTSA-N 1 0 239.319 1.503 10 0 BDAERO CO[C@H](c1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1)C1CC1 ZINC000721162386 712893495 /nfs/dbraw/zinc/89/34/95/712893495.db2.gz SWDAOQLZKWVSMA-RCWTZXSCSA-N 1 0 249.314 1.490 10 0 BDAERO CCO[C@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)C1 ZINC000721170090 712894853 /nfs/dbraw/zinc/89/48/53/712894853.db2.gz XYCICGHHOSTSTO-KPFVRQRISA-N 1 0 227.348 1.695 10 0 BDAERO C[NH+]1CCC(C[NH+]2CCC(C(=O)[O-])CC2)CC1 ZINC000687725468 954618937 /nfs/dbraw/zinc/61/89/37/954618937.db2.gz JCZKDQNLXXSMQH-UHFFFAOYSA-N 1 0 240.347 1.125 10 0 BDAERO CC[C@H](C(=O)[O-])[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000692658886 954705947 /nfs/dbraw/zinc/70/59/47/954705947.db2.gz IRAFHPFUOYXKGG-GHMZBOCLSA-N 1 0 228.336 1.266 10 0 BDAERO C[NH+](C)C[C@@H]1CC[N@H+](CC2(CC(=O)[O-])CC2)C1 ZINC000688598297 976188708 /nfs/dbraw/zinc/18/87/08/976188708.db2.gz LRMDTBDGZZPCRS-NSHDSACASA-N 1 0 240.347 1.125 10 0 BDAERO [NH3+]C[C@@H]1CC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000689169656 976237220 /nfs/dbraw/zinc/23/72/20/976237220.db2.gz WFLJFFOXTICSHU-QMMMGPOBSA-N 1 0 240.328 1.227 10 0 BDAERO C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000691357218 976352770 /nfs/dbraw/zinc/35/27/70/976352770.db2.gz ANWWNRQKFJLUQS-ZYHUDNBSSA-N 1 0 240.347 1.123 10 0 BDAERO C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000692664019 976532793 /nfs/dbraw/zinc/53/27/93/976532793.db2.gz ZZEXCXACHDXKRN-GRYCIOLGSA-N 1 0 240.347 1.266 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@@H]1[NH3+] ZINC000685953881 538898678 /nfs/dbraw/zinc/89/86/78/538898678.db2.gz JFHXMNRRIDLHHK-OUAUKWLOSA-N 1 0 233.377 1.573 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](S(C)(=O)=O)[C@H](C)C1 ZINC000685954487 538899087 /nfs/dbraw/zinc/89/90/87/538899087.db2.gz NKHYPMQWJFMGOF-OPRDCNLKSA-N 1 0 219.350 1.198 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCSC2 ZINC000685954909 538900021 /nfs/dbraw/zinc/90/00/21/538900021.db2.gz QFHZPBOLQAJVNM-ZJUUUORDSA-N 1 0 200.351 1.304 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000685954880 538900041 /nfs/dbraw/zinc/90/00/41/538900041.db2.gz QEUBSBZCUKVLKB-IVZWLZJFSA-N 1 0 219.350 1.185 10 0 BDAERO CC(C)[C@@H]1CC[C@H](S(=O)(=O)C(C)C)[C@H]([NH3+])C1 ZINC000685954901 538900074 /nfs/dbraw/zinc/90/00/74/538900074.db2.gz QEXIKFTZQUAOKB-UTUOFQBUSA-N 1 0 247.404 1.962 10 0 BDAERO CCN1CC[C@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685955197 538900446 /nfs/dbraw/zinc/90/04/46/538900446.db2.gz VUJVQTZWOPKQLX-VIFPVBQESA-N 1 0 218.291 1.987 10 0 BDAERO CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1S(=O)(=O)C(C)C ZINC000685955246 538900694 /nfs/dbraw/zinc/90/06/94/538900694.db2.gz WRKLQJZBSDRFQN-QJPTWQEYSA-N 1 0 247.404 1.976 10 0 BDAERO CCCS(=O)(=O)C1CCC([NH2+]CC)CC1 ZINC000685955157 538900766 /nfs/dbraw/zinc/90/07/66/538900766.db2.gz UVPWZOURAXHSGF-UHFFFAOYSA-N 1 0 233.377 1.732 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C[NH3+])C[C@H]1C ZINC000685955253 538900859 /nfs/dbraw/zinc/90/08/59/538900859.db2.gz WUMNVZMGNLABRM-GMTAPVOTSA-N 1 0 233.377 1.575 10 0 BDAERO CCOC(=O)C(F)(F)CNC1(C)CC1 ZINC000685957019 538903321 /nfs/dbraw/zinc/90/33/21/538903321.db2.gz KGAMXDTYFAKJIE-UHFFFAOYSA-N 1 0 207.220 1.327 10 0 BDAERO CNCC(F)(F)CN(C)[C@H](C)C(C)C ZINC000685957608 538905041 /nfs/dbraw/zinc/90/50/41/538905041.db2.gz CTYNLJOKCJMKEY-SECBINFHSA-N 1 0 208.296 1.817 10 0 BDAERO CC[C@@H](C)CN(C)CC(F)(F)CNC ZINC000685957866 538905514 /nfs/dbraw/zinc/90/55/14/538905514.db2.gz JNBROPXXIYEWIZ-SECBINFHSA-N 1 0 208.296 1.819 10 0 BDAERO CC(C)[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000685961002 538907914 /nfs/dbraw/zinc/90/79/14/538907914.db2.gz LPMIHONMRBVPBK-LBPRGKRZSA-N 1 0 215.337 1.410 10 0 BDAERO COCC[NH2+]CC[C@@H](CO)C1CCCC1 ZINC000685961549 538908821 /nfs/dbraw/zinc/90/88/21/538908821.db2.gz SRPJYERMZMGCHN-LBPRGKRZSA-N 1 0 215.337 1.411 10 0 BDAERO C[C@@H](O)CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000082993421 349443093 /nfs/dbraw/zinc/44/30/93/349443093.db2.gz SDYLHRHLVMXGKB-BXKDBHETSA-N 1 0 221.300 1.740 10 0 BDAERO Cc1cc(C)nc(NC(=O)[C@]2(C)CCC[NH2+]C2)n1 ZINC000062852976 177942406 /nfs/dbraw/zinc/94/24/06/177942406.db2.gz QVRYHDHQJOBLAJ-CYBMUJFWSA-N 1 0 248.330 1.422 10 0 BDAERO CCC(C)(C)[NH2+]CC[C@@H](CO)[C@H]1CCOC1 ZINC000685963875 538910844 /nfs/dbraw/zinc/91/08/44/538910844.db2.gz YXTSIKZCCSTIOU-RYUDHWBXSA-N 1 0 229.364 1.800 10 0 BDAERO CCC[NH2+]CC[C@@H](CO)[C@@H]1COC(C)(C)O1 ZINC000685963916 538910884 /nfs/dbraw/zinc/91/08/84/538910884.db2.gz ZLHKSYNUUBFHJC-QWRGUYRKSA-N 1 0 231.336 1.136 10 0 BDAERO Cc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)c(C)c1 ZINC000685965337 538911321 /nfs/dbraw/zinc/91/13/21/538911321.db2.gz ACQWAPJYCYKMMO-CHWSQXEVSA-N 1 0 204.317 1.708 10 0 BDAERO C=C(OCC)c1cnn(C)c1C[NH2+]CC ZINC000685965061 538911627 /nfs/dbraw/zinc/91/16/27/538911627.db2.gz MTPRPJHAXRXNGA-UHFFFAOYSA-N 1 0 209.293 1.537 10 0 BDAERO CCc1cccc([C@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965720 538912207 /nfs/dbraw/zinc/91/22/07/538912207.db2.gz QADZDZMSSONZEY-CHWSQXEVSA-N 1 0 204.317 1.653 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)c(C)c1 ZINC000685965858 538912361 /nfs/dbraw/zinc/91/23/61/538912361.db2.gz WOMKRVJHPFUOEV-QWHCGFSZSA-N 1 0 220.316 1.408 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccccn2)C1 ZINC000160858610 538912958 /nfs/dbraw/zinc/91/29/58/538912958.db2.gz HXFQATCTLUZTAK-CHWSQXEVSA-N 1 0 249.358 1.453 10 0 BDAERO Cc1cc(C)nc(OC2CCC([NH3+])CC2)n1 ZINC000055143603 177946920 /nfs/dbraw/zinc/94/69/20/177946920.db2.gz VMMVESZVDOIPLI-UHFFFAOYSA-N 1 0 221.304 1.742 10 0 BDAERO Cc1cc(C)nc(SCCCC[NH3+])n1 ZINC000051607738 177948745 /nfs/dbraw/zinc/94/87/45/177948745.db2.gz RUEMRYFJDMUNFP-UHFFFAOYSA-N 1 0 211.334 1.924 10 0 BDAERO CC[C@H]([NH3+])c1ncc(Br)cn1 ZINC000070947886 398142609 /nfs/dbraw/zinc/14/26/09/398142609.db2.gz OAYDMEYBCAKQLJ-LURJTMIESA-N 1 0 216.082 1.649 10 0 BDAERO CCC(CC)(C[NH3+])N1CCOC(C)(C)C1 ZINC000036232205 168322811 /nfs/dbraw/zinc/32/28/11/168322811.db2.gz HBHCQNGBGUXGOD-UHFFFAOYSA-N 1 0 214.353 1.615 10 0 BDAERO CCSCC[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000158806635 136214148 /nfs/dbraw/zinc/21/41/48/136214148.db2.gz BOEJXGNUNFCYES-DCAQKATOSA-N 1 0 244.404 1.490 10 0 BDAERO O[C@@H](c1csc(Br)c1)C1C[NH2+]C1 ZINC000306274463 398148746 /nfs/dbraw/zinc/14/87/46/398148746.db2.gz FNECMFSJRHUZHI-QMMMGPOBSA-N 1 0 248.145 1.763 10 0 BDAERO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)nn1C ZINC000336672247 178031710 /nfs/dbraw/zinc/03/17/10/178031710.db2.gz AFOSKLXERHKGKZ-CMPLNLGQSA-N 1 0 223.320 1.386 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2O)no1 ZINC000044724483 178033603 /nfs/dbraw/zinc/03/36/03/178033603.db2.gz YLSPAOGGLYYLCO-NEPJUHHUSA-N 1 0 224.304 1.766 10 0 BDAERO OC1CC(C[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000527817853 398173384 /nfs/dbraw/zinc/17/33/84/398173384.db2.gz CZZFPNSGKPODHV-UHFFFAOYSA-N 1 0 245.244 1.964 10 0 BDAERO [NH3+]CCN1CCCC[C@@H]1c1ccc(CO)cc1 ZINC000616615326 398174235 /nfs/dbraw/zinc/17/42/35/398174235.db2.gz VQJNKHFBKROSIZ-CQSZACIVSA-N 1 0 234.343 1.665 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2CO)nn1C ZINC000362013269 178040611 /nfs/dbraw/zinc/04/06/11/178040611.db2.gz JCIXKCMMGBOIOV-AAEUAGOBSA-N 1 0 237.347 1.369 10 0 BDAERO Cc1cc(C[C@@H](O)C[NH3+])ccc1Br ZINC000071558648 178055535 /nfs/dbraw/zinc/05/55/35/178055535.db2.gz SGQKORUKCROSDX-SECBINFHSA-N 1 0 244.132 1.620 10 0 BDAERO COC[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(C)C ZINC000380052357 398182311 /nfs/dbraw/zinc/18/23/11/398182311.db2.gz VVVGPOOHMYOXCF-NEPJUHHUSA-N 1 0 242.363 1.306 10 0 BDAERO COC[C@H]([NH3+])CCOCc1ccccc1 ZINC000221921537 349513547 /nfs/dbraw/zinc/51/35/47/349513547.db2.gz CAILQYSSTXQFIN-GFCCVEGCSA-N 1 0 209.289 1.567 10 0 BDAERO Cc1cc(Cl)ccc1-n1cc(C[NH3+])nn1 ZINC000050224157 178065595 /nfs/dbraw/zinc/06/55/95/178065595.db2.gz LTEOHIYIYUJIBY-UHFFFAOYSA-N 1 0 222.679 1.688 10 0 BDAERO Cc1cc(Cl)cn2c(CC[NH3+])cnc12 ZINC000082693501 178070277 /nfs/dbraw/zinc/07/02/77/178070277.db2.gz VGQXDPGEPXLVMF-UHFFFAOYSA-N 1 0 209.680 1.797 10 0 BDAERO Cc1oc(C)c(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1C ZINC000379756503 398166879 /nfs/dbraw/zinc/16/68/79/398166879.db2.gz WFBKMHLHUJXGLT-LDYMZIIASA-N 1 0 236.315 1.767 10 0 BDAERO CC(C)Cn1cc([C@H]2[NH2+]C[C@@]23CCOC3)cn1 ZINC000536959821 398199371 /nfs/dbraw/zinc/19/93/71/398199371.db2.gz LUMOQRQZPPRTAG-CHWSQXEVSA-N 1 0 235.331 1.590 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCS1 ZINC000380122741 398188407 /nfs/dbraw/zinc/18/84/07/398188407.db2.gz VBXJCJZKZPOBBZ-IJLUTSLNSA-N 1 0 229.389 1.975 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCS1 ZINC000380122744 398188449 /nfs/dbraw/zinc/18/84/49/398188449.db2.gz VBXJCJZKZPOBBZ-UTUOFQBUSA-N 1 0 229.389 1.975 10 0 BDAERO Cc1cc(I)nc(C[NH3+])c1 ZINC000095766614 178093282 /nfs/dbraw/zinc/09/32/82/178093282.db2.gz JBIUUZIOLZFKIX-UHFFFAOYSA-N 1 0 248.067 1.453 10 0 BDAERO [NH3+]CCNc1ccc(F)c(Br)c1 ZINC000159786026 398192958 /nfs/dbraw/zinc/19/29/58/398192958.db2.gz ARIPPQNROZQTRN-UHFFFAOYSA-N 1 0 233.084 1.959 10 0 BDAERO Cc1cc(N(CCC(N)=[NH2+])C(C)C)nc(C)n1 ZINC000042529878 178102154 /nfs/dbraw/zinc/10/21/54/178102154.db2.gz AJCBQMVIGOPVRI-UHFFFAOYSA-N 1 0 235.335 1.634 10 0 BDAERO Cc1cc2ncnn2c(N(CC[NH3+])C(C)C)c1 ZINC000053706432 178102631 /nfs/dbraw/zinc/10/26/31/178102631.db2.gz MKNZSXLTBNLPGA-UHFFFAOYSA-N 1 0 233.319 1.211 10 0 BDAERO C(COCC1CCCC1)N[C@H]1CC[NH2+]C1 ZINC000313281135 398184694 /nfs/dbraw/zinc/18/46/94/398184694.db2.gz KQGLWKYBSVPJLB-LBPRGKRZSA-N 1 0 212.337 1.145 10 0 BDAERO C[C@H]([NH3+])[C@H](C)N1CCS[C@H](C)[C@H]1C ZINC000306789003 398200785 /nfs/dbraw/zinc/20/07/85/398200785.db2.gz SQYZLRCNIGQINB-AXTSPUMRSA-N 1 0 202.367 1.548 10 0 BDAERO C[C@H]([NH3+])[C@H](C)N1CCS[C@@H](C)[C@@H]1C ZINC000306789005 398200841 /nfs/dbraw/zinc/20/08/41/398200841.db2.gz SQYZLRCNIGQINB-XKNYDFJKSA-N 1 0 202.367 1.548 10 0 BDAERO CN1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CCCO ZINC000386304216 398204273 /nfs/dbraw/zinc/20/42/73/398204273.db2.gz LAJPDBATWAADEZ-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)n(C)n1 ZINC000019429097 178145020 /nfs/dbraw/zinc/14/50/20/178145020.db2.gz SOTQODRBQVPGET-WPRPVWTQSA-N 1 0 236.319 1.198 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000163350869 538928085 /nfs/dbraw/zinc/92/80/85/538928085.db2.gz UXNXVIHVTPJRMU-VWYCJHECSA-N 1 0 201.310 1.020 10 0 BDAERO CCCN(CC(F)F)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000387081860 398225455 /nfs/dbraw/zinc/22/54/55/398225455.db2.gz SUUJQALNQQWORV-VHSXEESVSA-N 1 0 248.317 1.865 10 0 BDAERO Cc1cc(N[C@H]2CCC(=O)N[C@@H]2C)cc[nH+]1 ZINC000281646359 178189115 /nfs/dbraw/zinc/18/91/15/178189115.db2.gz MZZNUCJSMPEEKW-KOLCDFICSA-N 1 0 219.288 1.469 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)NC1CCCCCC1 ZINC000082920429 136222131 /nfs/dbraw/zinc/22/21/31/136222131.db2.gz BLFIWQVCQITDJK-NEPJUHHUSA-N 1 0 224.348 1.953 10 0 BDAERO Cc1cc(OC[C@@H]2CCC[NH2+]2)nc(Cl)n1 ZINC000095068982 178211843 /nfs/dbraw/zinc/21/18/43/178211843.db2.gz WTFRFFCFKIRORV-QMMMGPOBSA-N 1 0 227.695 1.569 10 0 BDAERO Cc1cc(OC[C@H]2CCC[NH2+]2)nc(C)n1 ZINC000051865778 178211962 /nfs/dbraw/zinc/21/19/62/178211962.db2.gz XXOJWHFBWUMHSG-SNVBAGLBSA-N 1 0 207.277 1.224 10 0 BDAERO Cc1cc(OC[C@@H]2CCC[NH2+]2)nc(C)n1 ZINC000051865776 178212388 /nfs/dbraw/zinc/21/23/88/178212388.db2.gz XXOJWHFBWUMHSG-JTQLQIEISA-N 1 0 207.277 1.224 10 0 BDAERO Cc1cc(S[C@@H](C[NH3+])c2ccccn2)n(C)n1 ZINC000052309534 178219753 /nfs/dbraw/zinc/21/97/53/178219753.db2.gz YIDWTTDYEXSVOM-NSHDSACASA-N 1 0 248.355 1.916 10 0 BDAERO Cc1cc(S[C@@H]2CCC[C@H]2C[NH3+])n(C)n1 ZINC000052310549 178220061 /nfs/dbraw/zinc/22/00/61/178220061.db2.gz DFXZJXFKXLCTEL-VHSXEESVSA-N 1 0 225.361 1.948 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000421368817 192334740 /nfs/dbraw/zinc/33/47/40/192334740.db2.gz GNCMDPCRVLOHCT-SMDDNHRTSA-N 1 0 247.338 1.967 10 0 BDAERO Cc1cc([C@@H](CO)N2CC[NH2+]CC2)c(C)s1 ZINC000049688070 178236069 /nfs/dbraw/zinc/23/60/69/178236069.db2.gz MHBRFFHHPQTRND-GFCCVEGCSA-N 1 0 240.372 1.304 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H](C)C(N)=O)ccc1F ZINC000268724463 178252090 /nfs/dbraw/zinc/25/20/90/178252090.db2.gz KFFMQFAWCZJISG-IUCAKERBSA-N 1 0 224.279 1.659 10 0 BDAERO Cc1cc([C@H]([NH3+])[C@@H](C)S(C)(=O)=O)ccc1F ZINC000075429576 178262314 /nfs/dbraw/zinc/26/23/14/178262314.db2.gz MYJDYTTVKWHRHC-LDYMZIIASA-N 1 0 245.319 1.567 10 0 BDAERO Cc1cc([C@H]2CCC[NH2+]2)nc(-n2ccnc2)n1 ZINC000071624363 178267051 /nfs/dbraw/zinc/26/70/51/178267051.db2.gz HYCHFVUWHCJNFC-SNVBAGLBSA-N 1 0 229.287 1.395 10 0 BDAERO Cc1cc2nc([C@H]([NH3+])CCO)[nH]c2cc1C ZINC000051848065 178303412 /nfs/dbraw/zinc/30/34/12/178303412.db2.gz CNWRAAWGAVLNPM-SECBINFHSA-N 1 0 219.288 1.562 10 0 BDAERO Cc1cc2nc([C@@H]([NH3+])CCO)[nH]c2cc1C ZINC000051848067 178303963 /nfs/dbraw/zinc/30/39/63/178303963.db2.gz CNWRAAWGAVLNPM-VIFPVBQESA-N 1 0 219.288 1.562 10 0 BDAERO CC[C@H](C)[C@@H](C[NH2+][C@H]1CCN(CC)C1)OC ZINC000381294747 398250183 /nfs/dbraw/zinc/25/01/83/398250183.db2.gz OVQYQPARFKFLIS-RWMBFGLXSA-N 1 0 228.380 1.731 10 0 BDAERO Cc1cc2nnc(-c3ccc(C[NH3+])cc3)n2cn1 ZINC000050194632 178305922 /nfs/dbraw/zinc/30/59/22/178305922.db2.gz BKMKSSCPRJRYFC-UHFFFAOYSA-N 1 0 239.282 1.558 10 0 BDAERO [NH3+][C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381611509 398254349 /nfs/dbraw/zinc/25/43/49/398254349.db2.gz ISURXSGUBWHHEO-VHSXEESVSA-N 1 0 218.291 1.845 10 0 BDAERO Cc1c([C@@H](C)[NH3+])cnn1-c1ccc(C)nn1 ZINC000049961011 178349699 /nfs/dbraw/zinc/34/96/99/178349699.db2.gz QQMJBZPBKKHVLT-MRVPVSSYSA-N 1 0 217.276 1.299 10 0 BDAERO COC[C@]1(C)CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000381425898 398257380 /nfs/dbraw/zinc/25/73/80/398257380.db2.gz BOBKYIFOKYNFDP-IJLUTSLNSA-N 1 0 213.321 1.258 10 0 BDAERO Cc1ccc(-c2ncc(C[NH3+])c(=O)[nH]2)cc1 ZINC000082642804 178338546 /nfs/dbraw/zinc/33/85/46/178338546.db2.gz JMRQWODZVSVZPE-UHFFFAOYSA-N 1 0 215.256 1.204 10 0 BDAERO CCC(CC)[N@H+](C)CC[C@H](NC1CC1)C(N)=O ZINC000062448890 168369626 /nfs/dbraw/zinc/36/96/26/168369626.db2.gz JHQRLGKCLAISKY-LBPRGKRZSA-N 1 0 241.379 1.103 10 0 BDAERO CCN1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000381457366 398258268 /nfs/dbraw/zinc/25/82/68/398258268.db2.gz IVUPYLYMHWBXQX-CHWSQXEVSA-N 1 0 226.364 1.175 10 0 BDAERO Cc1ccc(-c2nnc(CC[NH3+])o2)cc1O ZINC000050283862 178341531 /nfs/dbraw/zinc/34/15/31/178341531.db2.gz USKUSLMTLWIGEF-UHFFFAOYSA-N 1 0 219.244 1.252 10 0 BDAERO Cc1ccc(-n2cc(C[NH3+])cn2)c(C)c1 ZINC000037295389 178346089 /nfs/dbraw/zinc/34/60/89/178346089.db2.gz UDCYTINTAAMPPS-UHFFFAOYSA-N 1 0 201.273 1.948 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000381397071 398255327 /nfs/dbraw/zinc/25/53/27/398255327.db2.gz PDCKADIDPQGYBK-UMSGYPCISA-N 1 0 226.364 1.341 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@@H](C)C[NH3+])c(O)c1 ZINC000042455198 178378238 /nfs/dbraw/zinc/37/82/38/178378238.db2.gz QFBHFMSRHHKBDH-JTQLQIEISA-N 1 0 236.315 1.367 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@H](C)C[NH3+])cc1 ZINC000042454925 178378244 /nfs/dbraw/zinc/37/82/44/178378244.db2.gz VLWCWUMZIJNISD-LLVKDONJSA-N 1 0 220.316 1.662 10 0 BDAERO C[C@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000378746453 346822424 /nfs/dbraw/zinc/82/24/24/346822424.db2.gz ROPCJRRKWJNUKS-NNYUYHANSA-N 1 0 245.388 1.588 10 0 BDAERO CCC[C@H](C[NH3+])[C@H](O)CCCSC ZINC000231743902 538952733 /nfs/dbraw/zinc/95/27/33/538952733.db2.gz KTHQWXMBLIOWNY-NXEZZACHSA-N 1 0 205.367 1.866 10 0 BDAERO Cc1ncsc1C[NH2+][C@H](C(N)=O)C(C)C ZINC000230657854 538950361 /nfs/dbraw/zinc/95/03/61/538950361.db2.gz IZQBBRPCZHZNIK-VIFPVBQESA-N 1 0 227.333 1.051 10 0 BDAERO CCNC(=O)NC[C@@H]([NH3+])C(CC)CC ZINC000230628932 538950470 /nfs/dbraw/zinc/95/04/70/538950470.db2.gz DMJQLQJFMKBRLD-SECBINFHSA-N 1 0 201.314 1.069 10 0 BDAERO Cc1ncsc1C[NH2+][C@@H](C(N)=O)C(C)C ZINC000230657846 538950472 /nfs/dbraw/zinc/95/04/72/538950472.db2.gz IZQBBRPCZHZNIK-SECBINFHSA-N 1 0 227.333 1.051 10 0 BDAERO CCC(CC)[C@H]([NH3+])CNC(=O)NC(C)(C)C ZINC000230628886 538950593 /nfs/dbraw/zinc/95/05/93/538950593.db2.gz ZMMVAUKCFPRQQJ-SNVBAGLBSA-N 1 0 229.368 1.848 10 0 BDAERO CCC[C@H](C[NH3+])[C@H](O)c1ccns1 ZINC000404450610 538955743 /nfs/dbraw/zinc/95/57/43/538955743.db2.gz QYRZKVBHQVFXDY-APPZFPTMSA-N 1 0 200.307 1.552 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1O ZINC000105569821 178397268 /nfs/dbraw/zinc/39/72/68/178397268.db2.gz LSCSLBFMDKWQBS-LBPRGKRZSA-N 1 0 248.326 1.477 10 0 BDAERO CCCNC(=O)C[C@@H]1[NH2+]CCc2ccsc21 ZINC000712514624 538954757 /nfs/dbraw/zinc/95/47/57/538954757.db2.gz GDABAHLMCVTOJV-JTQLQIEISA-N 1 0 238.356 1.851 10 0 BDAERO OCC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000381675469 398268187 /nfs/dbraw/zinc/26/81/87/398268187.db2.gz XGPRMYJJEZQFTD-OLZOCXBDSA-N 1 0 227.348 1.242 10 0 BDAERO Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)o1 ZINC000037747871 178415600 /nfs/dbraw/zinc/41/56/00/178415600.db2.gz BUDXPJONBRTCMV-UHFFFAOYSA-N 1 0 244.294 1.977 10 0 BDAERO CCC(CC)NC(=O)C[NH2+]C[C@H]1CCCOC1 ZINC000049285673 168377627 /nfs/dbraw/zinc/37/76/27/168377627.db2.gz TTYMNULJZVTFHF-LLVKDONJSA-N 1 0 242.363 1.307 10 0 BDAERO CC(C)OC(=O)N1CCC([NH2+]C2CC2)CC1 ZINC000144062186 342696061 /nfs/dbraw/zinc/69/60/61/342696061.db2.gz QATMZQDPKHFUNW-UHFFFAOYSA-N 1 0 226.320 1.748 10 0 BDAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037166349 538961989 /nfs/dbraw/zinc/96/19/89/538961989.db2.gz RMEKLQUFDSZDLH-GVXVVHGQSA-N 1 0 249.358 1.691 10 0 BDAERO NC(=[NH2+])N[C@@H](c1cccs1)C(F)(F)F ZINC000306655839 361860889 /nfs/dbraw/zinc/86/08/89/361860889.db2.gz YYNXTVGTJLDKPQ-YFKPBYRVSA-N 1 0 223.223 1.835 10 0 BDAERO CC[C@@H]1C[N@H+](C)CCCN1C(=O)OC(C)C ZINC000300357286 529384449 /nfs/dbraw/zinc/38/44/49/529384449.db2.gz WZFHMUNTPVQYGG-LLVKDONJSA-N 1 0 228.336 1.948 10 0 BDAERO CCC(CC)NC(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051792039 168382965 /nfs/dbraw/zinc/38/29/65/168382965.db2.gz VWHXXTSNMRQPJJ-GXSJLCMTSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H]1C[C@@H](C)[C@@H](CNC(=O)C(F)(F)F)C[NH2+]1 ZINC000306657393 361867079 /nfs/dbraw/zinc/86/70/79/361867079.db2.gz MUHXQUQZDSAMPE-BWZBUEFSSA-N 1 0 238.253 1.299 10 0 BDAERO C[C@@H](Nc1cncc(Cl)n1)[C@H](C)[NH3+] ZINC000306659555 361869095 /nfs/dbraw/zinc/86/90/95/361869095.db2.gz LSRVJYZHGUWALT-NTSWFWBYSA-N 1 0 200.673 1.278 10 0 BDAERO C=CC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616571201 398284071 /nfs/dbraw/zinc/28/40/71/398284071.db2.gz PTENHUPJUFIPKD-STQMWFEESA-N 1 0 230.311 1.516 10 0 BDAERO Cc1cc(C[NH3+])ncc1OCC(F)F ZINC000145710647 342761958 /nfs/dbraw/zinc/76/19/58/342761958.db2.gz MUNDCIUZUHETRB-UHFFFAOYSA-N 1 0 202.204 1.493 10 0 BDAERO OCC1C[NH+](CCCOCCc2ccccc2)C1 ZINC000147660812 342778307 /nfs/dbraw/zinc/77/83/07/342778307.db2.gz XKJXKOZGWSLHBT-UHFFFAOYSA-N 1 0 249.354 1.560 10 0 BDAERO CC(C)=CC(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000616570897 398282179 /nfs/dbraw/zinc/28/21/79/398282179.db2.gz HTHJIOSIEDGGMF-UHFFFAOYSA-N 1 0 208.305 1.165 10 0 BDAERO CCC(CC)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336758812 168390617 /nfs/dbraw/zinc/39/06/17/168390617.db2.gz JZCCTNGYTAWRMU-SNVBAGLBSA-N 1 0 212.337 1.822 10 0 BDAERO C[NH2+]Cc1nc2c(s1)[C@@H](C)O[C@@H](C)C2 ZINC000126881840 342798533 /nfs/dbraw/zinc/79/85/33/342798533.db2.gz NILRTIIFCSZNDK-NKWVEPMBSA-N 1 0 212.318 1.885 10 0 BDAERO O=C(Nc1ccsc1)[C@@H]1CSCC[NH2+]1 ZINC000126985448 342809840 /nfs/dbraw/zinc/80/98/40/342809840.db2.gz CCSNMWPLKWNFHL-QMMMGPOBSA-N 1 0 228.342 1.392 10 0 BDAERO CCCNc1nc[nH+]c(NN)c1Br ZINC000233200953 342811343 /nfs/dbraw/zinc/81/13/43/342811343.db2.gz CKQRPWGRDXOGCE-UHFFFAOYSA-N 1 0 246.112 1.347 10 0 BDAERO CCCCNc1cc(N2CC[NH2+]CC2)ncn1 ZINC000259016348 342821845 /nfs/dbraw/zinc/82/18/45/342821845.db2.gz RSZQVKBUNTUOKR-UHFFFAOYSA-N 1 0 235.335 1.098 10 0 BDAERO C[C@@H]1CCCN(C(=O)C(F)(F)F)[C@H]1C[NH3+] ZINC000069726267 342822589 /nfs/dbraw/zinc/82/25/89/342822589.db2.gz RMPJGAZBVNXROO-RQJHMYQMSA-N 1 0 224.226 1.135 10 0 BDAERO CCc1nc([C@]2([NH3+])CCOC2)sc1C ZINC000070993112 361925410 /nfs/dbraw/zinc/92/54/10/361925410.db2.gz PZRQKCZXPPOHNS-JTQLQIEISA-N 1 0 212.318 1.588 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@H]1CCCO1 ZINC000379949004 538982138 /nfs/dbraw/zinc/98/21/38/538982138.db2.gz DPESSMZAKXYTHP-FIQHERPVSA-N 1 0 213.321 1.305 10 0 BDAERO C[NH+](C)CCc1nnc(Br)s1 ZINC000071051664 361941889 /nfs/dbraw/zinc/94/18/89/361941889.db2.gz MPJYIHJSJBXNGK-UHFFFAOYSA-N 1 0 236.138 1.405 10 0 BDAERO CCOC1CC([NH2+][C@@H]2CN(CC)C[C@H]2C)C1 ZINC000381458976 539001135 /nfs/dbraw/zinc/00/11/35/539001135.db2.gz KJKZNWBUFWMUOD-IKWCTNDRSA-N 1 0 226.364 1.484 10 0 BDAERO O=C1NCC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000381501111 539002082 /nfs/dbraw/zinc/00/20/82/539002082.db2.gz OYQGWSZTRRKACQ-LLVKDONJSA-N 1 0 238.718 1.361 10 0 BDAERO CCC[NH2+][C@H](C)c1cn(Cc2cccnc2)nn1 ZINC000386384947 539013564 /nfs/dbraw/zinc/01/35/64/539013564.db2.gz UOGNULKIHJDMSL-LLVKDONJSA-N 1 0 245.330 1.782 10 0 BDAERO C[C@H](CCCCO)[NH2+][C@H](C)c1nncn1C ZINC000381045632 538994292 /nfs/dbraw/zinc/99/42/92/538994292.db2.gz DFILYCUUQBQJNV-NXEZZACHSA-N 1 0 226.324 1.017 10 0 BDAERO CC[C@H]1CCC[N@@H+]1C[C@@H]1CSCCN1 ZINC000127073224 342835910 /nfs/dbraw/zinc/83/59/10/342835910.db2.gz IUFIHURQADQZBQ-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO O=C([O-])c1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010435492 342836165 /nfs/dbraw/zinc/83/61/65/342836165.db2.gz GTTIVXKNJLHTKG-UHFFFAOYSA-N 1 0 248.326 1.474 10 0 BDAERO CCC(CC)C[NH2+]C1CCN(CCO)CC1 ZINC000381311495 538997576 /nfs/dbraw/zinc/99/75/76/538997576.db2.gz AHZNOSJKHMMZHH-UHFFFAOYSA-N 1 0 228.380 1.469 10 0 BDAERO [NH3+]C1CCC(C(=O)NC(C2CC2)C2CC2)CC1 ZINC000042372518 361987626 /nfs/dbraw/zinc/98/76/26/361987626.db2.gz GIBFYTFTBXIEQB-UHFFFAOYSA-N 1 0 236.359 1.809 10 0 BDAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000710415521 539027684 /nfs/dbraw/zinc/02/76/84/539027684.db2.gz GULCKCGZWVGDNC-LLVKDONJSA-N 1 0 215.293 1.084 10 0 BDAERO CC1(C)CN(C(=O)C2CCCCC2)C[C@@H]1[NH3+] ZINC000387986280 539014415 /nfs/dbraw/zinc/01/44/15/539014415.db2.gz RZAULILIJJZSJN-NSHDSACASA-N 1 0 224.348 1.762 10 0 BDAERO [NH3+]CC[C@@H]1C(=O)Nc2c1cccc2Cl ZINC000103993287 539014611 /nfs/dbraw/zinc/01/46/11/539014611.db2.gz XHRYANDQESDCLY-ZETCQYMHSA-N 1 0 210.664 1.725 10 0 BDAERO CC1(C)CN(C(=O)C2CCCC2)C[C@@H]1[NH3+] ZINC000388119826 539014623 /nfs/dbraw/zinc/01/46/23/539014623.db2.gz WRVOIWWKLBLTMP-JTQLQIEISA-N 1 0 210.321 1.372 10 0 BDAERO [NH3+]C1(C(=O)N[C@H]2CCC[C@H](O)C2)CCCCC1 ZINC000037001029 398298917 /nfs/dbraw/zinc/29/89/17/398298917.db2.gz SWDCEOKSRFMRJU-QWRGUYRKSA-N 1 0 240.347 1.068 10 0 BDAERO COCc1nc(C[NH2+]CCCCO)cs1 ZINC000389958413 539018826 /nfs/dbraw/zinc/01/88/26/539018826.db2.gz VALIMFVXONDSHG-UHFFFAOYSA-N 1 0 230.333 1.152 10 0 BDAERO N[C@@H]1CCCC[C@H]1[N@@H+]1CCCSCC1 ZINC000042444486 362000090 /nfs/dbraw/zinc/00/00/90/362000090.db2.gz HFJLCPCIZFNSKX-GHMZBOCLSA-N 1 0 214.378 1.695 10 0 BDAERO C[C@@H](C[N@@H+]1CCCSCC1)C(N)=S ZINC000042443958 362000692 /nfs/dbraw/zinc/00/06/92/362000692.db2.gz MSKFMJUPKLHGQN-QMMMGPOBSA-N 1 0 218.391 1.348 10 0 BDAERO [NH3+]C[C@](O)(c1sccc1Cl)C1CC1 ZINC000229925477 342855668 /nfs/dbraw/zinc/85/56/68/342855668.db2.gz IBCOURVWVGBZTL-SECBINFHSA-N 1 0 217.721 1.958 10 0 BDAERO COC[C@@H](C)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000164977224 342861300 /nfs/dbraw/zinc/86/13/00/342861300.db2.gz PXQZNDOZVRKAFQ-SNVBAGLBSA-N 1 0 223.320 1.272 10 0 BDAERO Fc1cc(Cl)cc(NC2C[NH2+]C2)c1 ZINC000229994374 342862873 /nfs/dbraw/zinc/86/28/73/342862873.db2.gz OSWODINFJLPWHX-UHFFFAOYSA-N 1 0 200.644 1.863 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOC(C)(C)C ZINC000399170849 398304655 /nfs/dbraw/zinc/30/46/55/398304655.db2.gz OCMJFTQHCIHRGJ-QWRGUYRKSA-N 1 0 215.337 1.647 10 0 BDAERO CCNC(=[NH2+])N[C@@H]1CCC[C@@H](SC)C1 ZINC000233488994 342867818 /nfs/dbraw/zinc/86/78/18/342867818.db2.gz TVDQLAWQPKTEAK-RKDXNWHRSA-N 1 0 215.366 1.794 10 0 BDAERO CCN(CC)C(=O)C[C@H](C[NH3+])CC(C)C ZINC000077271298 398308182 /nfs/dbraw/zinc/30/81/82/398308182.db2.gz JCHCPCIRGMZUEK-LLVKDONJSA-N 1 0 214.353 1.866 10 0 in-vitro BDAERO [NH3+][C@H](Cn1ccnc1)c1ccc2c(c1)OCCO2 ZINC000038809159 342878935 /nfs/dbraw/zinc/87/89/35/342878935.db2.gz CBAVEHWFULWVRR-LLVKDONJSA-N 1 0 245.282 1.354 10 0 BDAERO C[C@H]1C[C@@]2(C[N@@H+]1C1CC1)NCCCS2 ZINC000229949718 342858285 /nfs/dbraw/zinc/85/82/85/342858285.db2.gz PXUCTXMYNIJBTH-GXSJLCMTSA-N 1 0 212.362 1.666 10 0 BDAERO C[C@H](NC(=O)C[NH+](C)C)c1cccs1 ZINC000015258493 342893694 /nfs/dbraw/zinc/89/36/94/342893694.db2.gz UCLCAIRZJKWQDQ-QMMMGPOBSA-N 1 0 212.318 1.487 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)CC[NH2+]C1CC1 ZINC000233371423 342901147 /nfs/dbraw/zinc/90/11/47/342901147.db2.gz NXMUOGPEPXDSFO-GXSJLCMTSA-N 1 0 210.321 1.433 10 0 BDAERO C[NH+](C)CCn1nc2c(c1Cl)CSC2 ZINC000134851288 342902453 /nfs/dbraw/zinc/90/24/53/342902453.db2.gz AKDPPDDUJHNYIZ-UHFFFAOYSA-N 1 0 231.752 1.845 10 0 BDAERO C[C@@H]1OCC[C@@H]1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000300612115 398324017 /nfs/dbraw/zinc/32/40/17/398324017.db2.gz GXODINNDYLCHTL-RQJABVFESA-N 1 0 238.375 1.580 10 0 BDAERO CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)[NH2+]C ZINC000233976978 342916904 /nfs/dbraw/zinc/91/69/04/342916904.db2.gz ZZMLYOIFPHISEZ-KXUCPTDWSA-N 1 0 230.377 1.385 10 0 BDAERO CC(C)(C)OC(=O)N1CC2(C1)CC(C)([NH3+])C2 ZINC000575440788 398328112 /nfs/dbraw/zinc/32/81/12/398328112.db2.gz FJGZCEHFBUGRTE-UHFFFAOYSA-N 1 0 226.320 1.735 10 0 BDAERO Cc1scc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1C ZINC000335522670 398341666 /nfs/dbraw/zinc/34/16/66/398341666.db2.gz WYWMFILVFBJGLD-WRWORJQWSA-N 1 0 238.356 1.784 10 0 BDAERO CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1(C)C ZINC000234861229 342956705 /nfs/dbraw/zinc/95/67/05/342956705.db2.gz XIYLIFITMBCEJZ-DDHJBXDOSA-N 1 0 227.348 1.693 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308598706 529515281 /nfs/dbraw/zinc/51/52/81/529515281.db2.gz NNWJUWZBADHPFX-OUAUKWLOSA-N 1 0 203.301 1.875 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000309062068 529515585 /nfs/dbraw/zinc/51/55/85/529515585.db2.gz XHZZXMQKOGZRTC-YTWAJWBKSA-N 1 0 215.337 1.406 10 0 BDAERO CCOc1ccc([C@@H](C)[NH2+]CCO)cc1F ZINC000020177195 342974312 /nfs/dbraw/zinc/97/43/12/342974312.db2.gz SEOMTHSCTGHKPZ-SECBINFHSA-N 1 0 227.279 1.867 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178589909 534931124 /nfs/dbraw/zinc/93/11/24/534931124.db2.gz KHIMSSQZFMZUJH-MNOVXSKESA-N 1 0 212.337 1.476 10 0 BDAERO NNc1ccc(-c2cccc(F)c2)n[nH+]1 ZINC000020437937 342985178 /nfs/dbraw/zinc/98/51/78/342985178.db2.gz VWVNCAGHIRFNDB-UHFFFAOYSA-N 1 0 204.208 1.568 10 0 BDAERO CC(C)(C)OC(=O)NCC[C@]1(O)CCC[NH2+]C1 ZINC000214447883 349718026 /nfs/dbraw/zinc/71/80/26/349718026.db2.gz DQDKZMOVMYXPGV-GFCCVEGCSA-N 1 0 244.335 1.016 10 0 BDAERO Cc1cc2c(c3c1CCC3)O[C@H](C[NH3+])C2 ZINC000036437259 343000678 /nfs/dbraw/zinc/00/06/78/343000678.db2.gz HGQSOMIHGGPZNJ-JTQLQIEISA-N 1 0 203.285 1.746 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261704034 534931709 /nfs/dbraw/zinc/93/17/09/534931709.db2.gz BPOVWQYADVDANG-DGCLKSJQSA-N 1 0 226.364 1.866 10 0 BDAERO CCOC(=O)[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC000260518889 349727340 /nfs/dbraw/zinc/72/73/40/349727340.db2.gz RASRWNIZIJLXBP-BQBZGAKWSA-N 1 0 225.210 1.338 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CSC ZINC000176994515 346919960 /nfs/dbraw/zinc/91/99/60/346919960.db2.gz IAUWFIFGIWHONI-JTQLQIEISA-N 1 0 230.377 1.292 10 0 BDAERO CC(C)C[C@@H](C[NH3+])NC(=O)C1CC(C)C1 ZINC000309445852 259343268 /nfs/dbraw/zinc/34/32/68/259343268.db2.gz LIYYFELGQDQYJW-ILDUYXDCSA-N 1 0 212.337 1.522 10 0 BDAERO Cc1ccc2ccc(=O)n3c2c1[C@H]([NH3+])C3 ZINC000118559433 343049041 /nfs/dbraw/zinc/04/90/41/343049041.db2.gz BHBDJBKYHQZKAV-SECBINFHSA-N 1 0 200.241 1.323 10 0 BDAERO CCCCOCC[NH2+]C[C@H](O)C(C)(C)C ZINC000308809622 346921943 /nfs/dbraw/zinc/92/19/43/346921943.db2.gz PRQPHZOJNYAWKD-NSHDSACASA-N 1 0 217.353 1.800 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1O ZINC000235632683 343054903 /nfs/dbraw/zinc/05/49/03/343054903.db2.gz MMROJRRKWSKAMR-GXSJLCMTSA-N 1 0 234.299 1.120 10 0 BDAERO C[C@@H]([NH3+])[C@@H](N1CCCCC1)C(F)(F)F ZINC000043376321 343059643 /nfs/dbraw/zinc/05/96/43/343059643.db2.gz UWXBBFKOZRFVLJ-HTQZYQBOSA-N 1 0 210.243 1.750 10 0 BDAERO CCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247073785 343063141 /nfs/dbraw/zinc/06/31/41/343063141.db2.gz HPKDZLCXAPVEOF-NEPJUHHUSA-N 1 0 239.363 1.665 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnn(C)c1 ZINC000247094076 343068773 /nfs/dbraw/zinc/06/87/73/343068773.db2.gz IFYMGSQBNBCGPJ-AAEUAGOBSA-N 1 0 234.347 1.089 10 0 BDAERO CC(C)OC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000584880544 343081351 /nfs/dbraw/zinc/08/13/51/343081351.db2.gz CZUXQSPPLIJLEW-VIFPVBQESA-N 1 0 237.303 1.284 10 0 BDAERO CC[C@@H]1C[S@](=O)[C@H](C(C)C)[C@H](C)[NH2+]1 ZINC000306663436 362021489 /nfs/dbraw/zinc/02/14/89/362021489.db2.gz VNPUCSGHHRLFCT-WTBMIXGQSA-N 1 0 203.351 1.530 10 0 BDAERO NC(=[NH2+])C1(c2ncc(N)c3ccccc32)CC1 ZINC000584881592 343082834 /nfs/dbraw/zinc/08/28/34/343082834.db2.gz MLJJKRJWOFNEOD-UHFFFAOYSA-N 1 0 226.283 1.785 10 0 BDAERO c1nnc(SC[C@H]2CCC[NH2+]2)s1 ZINC000043497189 343092180 /nfs/dbraw/zinc/09/21/80/343092180.db2.gz FKTMZXLCUJOJFI-ZCFIWIBFSA-N 1 0 201.320 1.382 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1N1CCC=C(Cl)C1 ZINC000404465006 343084276 /nfs/dbraw/zinc/08/42/76/343084276.db2.gz WMLGPBRNIWBEIQ-NXEZZACHSA-N 1 0 200.713 1.695 10 0 BDAERO CC(C)NC(=O)Cn1c(C[NH3+])nc2ccccc21 ZINC000584883315 343086171 /nfs/dbraw/zinc/08/61/71/343086171.db2.gz PLESTAWXKHWWJQ-UHFFFAOYSA-N 1 0 246.314 1.020 10 0 BDAERO CC[C@H](C)[C@](C)(O)C[C@H](O)C[NH2+]C(C)C ZINC000584883300 343086208 /nfs/dbraw/zinc/08/62/08/343086208.db2.gz LSBSGLVOZXDEPF-SDDRHHMPSA-N 1 0 217.353 1.533 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)C[C@@](C)(O)C(C)C ZINC000584883522 343086611 /nfs/dbraw/zinc/08/66/11/343086611.db2.gz RNUAODFHSKYPLB-WDEREUQCSA-N 1 0 203.326 1.142 10 0 BDAERO CC(C)[NH2+]C[C@H](O)CC(O)(C(C)C)C(C)C ZINC000584883591 343086677 /nfs/dbraw/zinc/08/66/77/343086677.db2.gz WEPLIJKVCBQBJW-GFCCVEGCSA-N 1 0 231.380 1.779 10 0 BDAERO CC[NH2+]C[C@H](O)C[C@@](O)(CC)C(C)(C)C ZINC000584883605 343086687 /nfs/dbraw/zinc/08/66/87/343086687.db2.gz WOTHHDUTTCZYMW-PWSUYJOCSA-N 1 0 217.353 1.534 10 0 BDAERO C[C@H]([NH3+])[C@@H](CC(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000584883531 343086720 /nfs/dbraw/zinc/08/67/20/343086720.db2.gz RPEKBDXMQVQZEK-AXFHLTTASA-N 1 0 243.347 1.861 10 0 BDAERO [NH3+][C@H]1c2ccc(Br)cc2C[C@H]1CO ZINC000127936959 343075535 /nfs/dbraw/zinc/07/55/35/343075535.db2.gz AQVATOMCWFABCU-OIBJUYFYSA-N 1 0 242.116 1.614 10 0 BDAERO Nc1cccnc1SC[C@H]1CCC[NH2+]1 ZINC000043497576 343091917 /nfs/dbraw/zinc/09/19/17/343091917.db2.gz PIFHAUDAPFIRMN-MRVPVSSYSA-N 1 0 209.318 1.508 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H]([NH3+])CC1 ZINC000150286166 343075904 /nfs/dbraw/zinc/07/59/04/343075904.db2.gz GDUXFJMJXLLJPW-RKDXNWHRSA-N 1 0 212.293 1.557 10 0 BDAERO COc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)cc1F ZINC000071533168 362009643 /nfs/dbraw/zinc/00/96/43/362009643.db2.gz PEUFJBHIOCDXLQ-RYUDHWBXSA-N 1 0 227.279 1.851 10 0 BDAERO CC(C)(C)OC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000238101739 343077134 /nfs/dbraw/zinc/07/71/34/343077134.db2.gz JCUJOIBNKHIOMX-SKDRFNHKSA-N 1 0 211.305 1.860 10 0 BDAERO CN([C@@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000043501388 343098453 /nfs/dbraw/zinc/09/84/53/343098453.db2.gz HYAQEMZWGSOUSM-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO Nc1c2ccccc2[nH+]c2c1CC[C@@H](O)C2 ZINC000013757214 343103102 /nfs/dbraw/zinc/10/31/02/343103102.db2.gz WGAVIJGEWZDOOU-MRVPVSSYSA-N 1 0 214.268 1.667 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@H](C)O1 ZINC000394937362 362072295 /nfs/dbraw/zinc/07/22/95/362072295.db2.gz CBIOALOUWXFONA-IIRVCBMXSA-N 1 0 240.347 1.044 10 0 BDAERO CCOc1cncc(OC[C@@H]2CC[NH2+]2)c1 ZINC000026667181 343107915 /nfs/dbraw/zinc/10/79/15/343107915.db2.gz CSDHAOULPQQUMX-VIFPVBQESA-N 1 0 208.261 1.221 10 0 BDAERO CC[C@@H]([NH3+])CNc1ncnc2c1CCC2 ZINC000082584208 362066247 /nfs/dbraw/zinc/06/62/47/362066247.db2.gz KIUNUZZEABOMOI-MRVPVSSYSA-N 1 0 206.293 1.115 10 0 BDAERO CC(C)C[C@@H](CN(C)C)[NH2+]CC(C)(C)O ZINC000049555769 343111610 /nfs/dbraw/zinc/11/16/10/343111610.db2.gz FKZNREDMIWSGHT-NSHDSACASA-N 1 0 216.369 1.323 10 0 BDAERO CCC1CC[NH+]([C@H](C)C(N)=S)CC1 ZINC000043514298 343116546 /nfs/dbraw/zinc/11/65/46/343116546.db2.gz MZUXNXXNLNAOIB-MRVPVSSYSA-N 1 0 200.351 1.783 10 0 BDAERO Clc1cc(N2C[C@@H]3C[NH2+][C@@H]3C2)cnc1Cl ZINC000028866069 343134071 /nfs/dbraw/zinc/13/40/71/343134071.db2.gz MBQYQLWSBRANKQ-IMTBSYHQSA-N 1 0 244.125 1.796 10 0 investigational BDAERO CCCC[C@@H](C[NH3+])Nc1ccc2nccnc2n1 ZINC000130541836 343181628 /nfs/dbraw/zinc/18/16/28/343181628.db2.gz ISGAXHDXHNQCGA-JTQLQIEISA-N 1 0 245.330 1.954 10 0 BDAERO C[C@@]1(CNc2ncnc3c2CCC3)CCC[NH2+]C1 ZINC000129351608 343176583 /nfs/dbraw/zinc/17/65/83/343176583.db2.gz WKVRVTOSAPGZJY-CQSZACIVSA-N 1 0 246.358 1.767 10 0 BDAERO CC[C@@H](C)OCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178538728 136274486 /nfs/dbraw/zinc/27/44/86/136274486.db2.gz OVFGHFORIHJKEM-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO Cc1cccc(CN[C@@H]2CCC[NH2+]CC2)n1 ZINC000162228476 343205216 /nfs/dbraw/zinc/20/52/16/343205216.db2.gz FXUJOSBUSUAECO-GFCCVEGCSA-N 1 0 219.332 1.622 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000163156063 343206311 /nfs/dbraw/zinc/20/63/11/343206311.db2.gz QHBJAJRKBOVQBL-WCQYABFASA-N 1 0 229.364 1.942 10 0 BDAERO CC(C)[C@](C)(CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000336767279 136276128 /nfs/dbraw/zinc/27/61/28/136276128.db2.gz SVHHBEPKXAFVEG-JQWIXIFHSA-N 1 0 217.353 1.390 10 0 BDAERO CCSCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C ZINC000133925036 343186461 /nfs/dbraw/zinc/18/64/61/343186461.db2.gz XPJLNEOSOAMRMJ-DTWKUNHWSA-N 1 0 218.366 1.242 10 0 BDAERO Cc1ccc(C)c([C@H]2NC(=O)CC[C@@H]2[NH3+])c1 ZINC000070647495 178503677 /nfs/dbraw/zinc/50/36/77/178503677.db2.gz UPYPRPCKBNPMKS-WCQYABFASA-N 1 0 218.300 1.582 10 0 BDAERO Cc1nc(CN2C[C@@H](F)C[C@@H]2C[NH3+])cs1 ZINC000308942719 136274254 /nfs/dbraw/zinc/27/42/54/136274254.db2.gz VIPXLPYFNQHHKS-WCBMZHEXSA-N 1 0 229.324 1.323 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1c1nc(C2CC2)no1 ZINC000071001077 343224489 /nfs/dbraw/zinc/22/44/89/343224489.db2.gz FCDLUEZWGMUSET-BDAKNGLRSA-N 1 0 207.277 1.803 10 0 BDAERO CC[NH2+]CCc1cccc(Br)n1 ZINC000238241819 343252500 /nfs/dbraw/zinc/25/25/00/343252500.db2.gz IQKGCSCCZBEKCL-UHFFFAOYSA-N 1 0 229.121 1.996 10 0 BDAERO CCOc1ccc(CC2=[NH+]CCN2)cn1 ZINC000033992424 343263429 /nfs/dbraw/zinc/26/34/29/343263429.db2.gz JGGWBTCAZJRKIH-UHFFFAOYSA-N 1 0 205.261 1.025 10 0 BDAERO [NH3+][C@H]1CCc2[nH]c3ccc(O)cc3c2C1 ZINC000034537516 343274338 /nfs/dbraw/zinc/27/43/38/343274338.db2.gz LJWYBCXJJVUBAZ-ZETCQYMHSA-N 1 0 202.257 1.690 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000035248137 343290888 /nfs/dbraw/zinc/29/08/88/343290888.db2.gz MAKONFGDMPDBED-AXFHLTTASA-N 1 0 240.347 1.899 10 0 BDAERO CC[C@H]([NH3+])[C@H](O)c1cc(OC)cc(OC)c1 ZINC000036779340 343324409 /nfs/dbraw/zinc/32/44/09/343324409.db2.gz JQGPMZIHMZDYAL-NWDGAFQWSA-N 1 0 225.288 1.475 10 0 BDAERO C[C@H](NC(=O)CC[NH3+])c1cc(F)ccc1F ZINC000037007665 343330537 /nfs/dbraw/zinc/33/05/37/343330537.db2.gz FIGSOLCYONMHMS-ZETCQYMHSA-N 1 0 228.242 1.491 10 0 BDAERO CCOc1cncc(NCC[C@H](C)[NH3+])n1 ZINC000070580139 343333245 /nfs/dbraw/zinc/33/32/45/343333245.db2.gz NOJXMYPRAXTWNF-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BDAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)CC(C)=O ZINC000037790587 343355661 /nfs/dbraw/zinc/35/56/61/343355661.db2.gz NJVAEELXANFFDI-LLVKDONJSA-N 1 0 242.363 1.592 10 0 BDAERO CC[C@@H](COC)[NH2+][C@@H]1CCCN(CC)C1 ZINC000070624205 343335847 /nfs/dbraw/zinc/33/58/47/343335847.db2.gz MGUQWTFCXPKLAE-NWDGAFQWSA-N 1 0 214.353 1.485 10 0 BDAERO CCO[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000039099955 343383677 /nfs/dbraw/zinc/38/36/77/343383677.db2.gz AFTFWZMXYMSIDT-RYUDHWBXSA-N 1 0 213.321 1.666 10 0 BDAERO OC1(C[NH2+][C@H]2CCSC2)CCSCC1 ZINC000151565597 362185708 /nfs/dbraw/zinc/18/57/08/362185708.db2.gz NKYKVBUXPMKHEH-VIFPVBQESA-N 1 0 233.402 1.340 10 0 BDAERO Cc1c2ccccc2nc2c1CC[NH2+]C[C@@H]2O ZINC000039111106 343385402 /nfs/dbraw/zinc/38/54/02/343385402.db2.gz KHTWDKVXCUZUFW-ZDUSSCGKSA-N 1 0 228.295 1.722 10 0 BDAERO O=C(OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000039433142 343389850 /nfs/dbraw/zinc/38/98/50/343389850.db2.gz HMWIMQPWNDDSFE-NSHDSACASA-N 1 0 205.257 1.339 10 0 BDAERO [NH3+][C@H](CCO)c1nc2c(cccc2Cl)[nH]1 ZINC000040710374 343408219 /nfs/dbraw/zinc/40/82/19/343408219.db2.gz SMHILOPKTLIQKX-SSDOTTSWSA-N 1 0 225.679 1.599 10 0 BDAERO CC(C)OC[C@@H](O)C[NH2+]C[C@@H](C)C(C)C ZINC000081057794 343416336 /nfs/dbraw/zinc/41/63/36/343416336.db2.gz XCHMFVMSPNAZPK-NEPJUHHUSA-N 1 0 217.353 1.654 10 0 BDAERO CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)c1nccs1 ZINC000151925071 343446039 /nfs/dbraw/zinc/44/60/39/343446039.db2.gz ADKNZIIXEHCGNT-JGVFFNPUSA-N 1 0 225.317 1.233 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC2CCC2)C1 ZINC000398450438 488218651 /nfs/dbraw/zinc/21/86/51/488218651.db2.gz GSVRPIPUCVUFFR-RYUDHWBXSA-N 1 0 213.321 1.258 10 0 BDAERO CC[C@@H]([NH3+])CNc1cc(C(C)C)ncn1 ZINC000082579417 343452414 /nfs/dbraw/zinc/45/24/14/343452414.db2.gz UPFMCCQSDKWWNL-SECBINFHSA-N 1 0 208.309 1.749 10 0 BDAERO O[C@H](CC1CCCC1)CN1CCn2ccnc2C1 ZINC000232144430 136372352 /nfs/dbraw/zinc/37/23/52/136372352.db2.gz YMNVFQQPXGCMKX-CYBMUJFWSA-N 1 0 249.358 1.640 10 0 BDAERO C[C@@H](c1nccs1)N1CCC[C@H](C[NH3+])C1 ZINC000083143903 343478018 /nfs/dbraw/zinc/47/80/18/343478018.db2.gz VNCJIMQMOZVXLJ-VHSXEESVSA-N 1 0 225.361 1.875 10 0 BDAERO COC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1 ZINC000043623344 343478882 /nfs/dbraw/zinc/47/88/82/343478882.db2.gz YKJWAZDMTBCJJK-MRVPVSSYSA-N 1 0 209.245 1.086 10 0 BDAERO CC(C)c1nsc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000083670428 343495209 /nfs/dbraw/zinc/49/52/09/343495209.db2.gz MKGOSGXVCBDUQV-QMMMGPOBSA-N 1 0 226.349 1.460 10 0 BDAERO C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668196189 488220579 /nfs/dbraw/zinc/22/05/79/488220579.db2.gz FXPFXVZWVAXQGE-CABNGKKXSA-N 1 0 239.359 1.695 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccnnc2)C1 ZINC000616633974 343528491 /nfs/dbraw/zinc/52/84/91/343528491.db2.gz IIVSWLXDUISOQZ-NSHDSACASA-N 1 0 220.320 1.221 10 0 BDAERO CC[NH+](CC)C[C@H]1COc2ccc(N)cc2O1 ZINC000217716147 343528604 /nfs/dbraw/zinc/52/86/04/343528604.db2.gz MCWFPBRQWRRICK-NSHDSACASA-N 1 0 236.315 1.750 10 0 BDAERO Cn1cc(C[NH2+]CCO)c2ccccc21 ZINC000045944967 343536203 /nfs/dbraw/zinc/53/62/03/343536203.db2.gz QWUCPGIORRUPDM-UHFFFAOYSA-N 1 0 204.273 1.260 10 0 BDAERO CCC(CC)(CC)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000379954312 365761642 /nfs/dbraw/zinc/76/16/42/365761642.db2.gz UVHMQTXBYWIGAX-VIFPVBQESA-N 1 0 214.309 1.653 10 0 BDAERO CCCNC(=O)C[C@H]1[NH2+]CCc2ccsc21 ZINC000712514631 537787926 /nfs/dbraw/zinc/78/79/26/537787926.db2.gz GDABAHLMCVTOJV-SNVBAGLBSA-N 1 0 238.356 1.851 10 0 BDAERO CC(C)NC(=O)C[C@H]1[NH2+]CCc2ccsc21 ZINC000712516400 537788928 /nfs/dbraw/zinc/78/89/28/537788928.db2.gz SJOMRUDBKQQYSZ-SNVBAGLBSA-N 1 0 238.356 1.850 10 0 BDAERO C[N@@H+]1CC[C@H](N2CCCc3cc(N)ccc32)C1 ZINC000167562922 343596818 /nfs/dbraw/zinc/59/68/18/343596818.db2.gz JJUGUQRXPTVMCE-ZDUSSCGKSA-N 1 0 231.343 1.726 10 0 BDAERO Cc1ccc(CN(C)C[C@H]2CCC[NH2+]2)o1 ZINC000035699950 178549526 /nfs/dbraw/zinc/54/95/26/178549526.db2.gz WBRYIHLWINTZSS-LLVKDONJSA-N 1 0 208.305 1.772 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)o1 ZINC000624235422 343578953 /nfs/dbraw/zinc/57/89/53/343578953.db2.gz JXPHFBVSNNPMJK-DCAQKATOSA-N 1 0 225.288 1.388 10 0 BDAERO C[C@@H]1C[C@@]2(CN1C)[NH2+]CCc1ccsc12 ZINC000712559658 537792464 /nfs/dbraw/zinc/79/24/64/537792464.db2.gz YGXAGTIZHZIZFN-SKDRFNHKSA-N 1 0 222.357 1.813 10 0 BDAERO C[C@@H]1C[C@H]([C@H]([NH3+])Cc2ccccc2)OC1=O ZINC000204954125 343607820 /nfs/dbraw/zinc/60/78/20/343607820.db2.gz WAXXCXFVCULUIE-YUSALJHKSA-N 1 0 219.284 1.508 10 0 BDAERO C[C@@H]1C[C@@H]([C@H]([NH3+])Cc2ccccc2)OC1=O ZINC000204954161 343608104 /nfs/dbraw/zinc/60/81/04/343608104.db2.gz WAXXCXFVCULUIE-JLLWLGSASA-N 1 0 219.284 1.508 10 0 BDAERO N=C1Nc2ccccc2[C@]1(O)c1ccccc1 ZINC000197106922 343641934 /nfs/dbraw/zinc/64/19/34/343641934.db2.gz DYRLRFXNPWUDTO-CQSZACIVSA-N 1 0 224.263 1.925 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])c2cc(Cl)ccc2[S@@]1=O ZINC000043636799 343633564 /nfs/dbraw/zinc/63/35/64/343633564.db2.gz IUCYZYXVIBFKJO-YOLQEPQHSA-N 1 0 215.705 1.850 10 0 BDAERO COC[C@@H]1CCC[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000234760221 343650477 /nfs/dbraw/zinc/65/04/77/343650477.db2.gz VSQVPKJNPMZISO-GHMZBOCLSA-N 1 0 211.305 1.466 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2cc(C#N)cc(C)n2)C1 ZINC000389239662 343655687 /nfs/dbraw/zinc/65/56/87/343655687.db2.gz KNKFCWMUMJOBAD-GFCCVEGCSA-N 1 0 230.315 1.768 10 0 BDAERO CC[N@@H+]1CC[C@H](Nc2cc(C#N)cc(C)n2)C1 ZINC000389239664 343655730 /nfs/dbraw/zinc/65/57/30/343655730.db2.gz KNKFCWMUMJOBAD-LBPRGKRZSA-N 1 0 230.315 1.768 10 0 BDAERO COc1ncc(Cl)c(NC[C@@H](C)C[NH3+])n1 ZINC000087799853 343661764 /nfs/dbraw/zinc/66/17/64/343661764.db2.gz FHWJNLKVZQCTRQ-LURJTMIESA-N 1 0 230.699 1.145 10 0 BDAERO Cc1nc2cnccc2n1CC1CC[NH2+]CC1 ZINC000022012419 343682312 /nfs/dbraw/zinc/68/23/12/343682312.db2.gz RYMNERSRIAXPPJ-UHFFFAOYSA-N 1 0 230.315 1.739 10 0 BDAERO C[NH2+]CCOC(=O)OCc1ccccc1 ZINC000059534161 343710215 /nfs/dbraw/zinc/71/02/15/343710215.db2.gz UURVIXKVKOUYHK-UHFFFAOYSA-N 1 0 209.245 1.559 10 0 BDAERO CSCC[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000380283350 343718592 /nfs/dbraw/zinc/71/85/92/343718592.db2.gz ZLHRTEMQMDNVAL-ONGXEEELSA-N 1 0 230.377 1.196 10 0 BDAERO C[NH2+]Cc1cnn(CCc2ccccc2)c1 ZINC000011920310 343772317 /nfs/dbraw/zinc/77/23/17/343772317.db2.gz RSHDEDGJLQOSQI-UHFFFAOYSA-N 1 0 215.300 1.845 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)c1c(Br)nnn1C ZINC000235158481 343755670 /nfs/dbraw/zinc/75/56/70/343755670.db2.gz ZINQZURMHRAZPI-RFZPGFLSSA-N 1 0 233.113 1.028 10 0 BDAERO Cn1cc(CC[NH3+])c(-c2ccccc2)n1 ZINC000044397325 343781166 /nfs/dbraw/zinc/78/11/66/343781166.db2.gz DSPWTMLAIIINHL-UHFFFAOYSA-N 1 0 201.273 1.588 10 0 BDAERO Cn1cc(-c2ccc(C[NH3+])c(F)c2)cn1 ZINC000038073076 343783223 /nfs/dbraw/zinc/78/32/23/343783223.db2.gz MEHKTBZLOKMAFO-UHFFFAOYSA-N 1 0 205.236 1.685 10 0 BDAERO O=C(OC1C[NH2+]C1)N1CCc2ccccc21 ZINC000231561838 343794096 /nfs/dbraw/zinc/79/40/96/343794096.db2.gz LGSRNECTCUIKOG-UHFFFAOYSA-N 1 0 218.256 1.158 10 0 BDAERO CC(C)N(C(=O)OC1C[NH2+]C1)C(C)C ZINC000231561670 343794167 /nfs/dbraw/zinc/79/41/67/343794167.db2.gz OEYDSIJGWNEWDA-UHFFFAOYSA-N 1 0 200.282 1.214 10 0 BDAERO CC(=[NH2+])N1CCN(Cc2ccccc2)CC1 ZINC000062987099 349865340 /nfs/dbraw/zinc/86/53/40/349865340.db2.gz NLYSQXRIXNZADA-UHFFFAOYSA-N 1 0 217.316 1.801 10 0 BDAERO FC1(CCOCc2ccccc2)C[NH2+]C1 ZINC000306379431 343797559 /nfs/dbraw/zinc/79/75/59/343797559.db2.gz PVPWWDAMYQVUSF-UHFFFAOYSA-N 1 0 209.264 1.905 10 0 BDAERO CCOC[C@H]1C[N@H+](CCN)CC12CCCC2 ZINC000409426417 343798069 /nfs/dbraw/zinc/79/80/69/343798069.db2.gz CGYXYSFICACJFO-GFCCVEGCSA-N 1 0 226.364 1.474 10 0 BDAERO NC(=[NH2+])N1CCCC[C@@H]1c1cccnc1 ZINC000409427303 343800553 /nfs/dbraw/zinc/80/05/53/343800553.db2.gz IXHHFGMNNYVFFQ-SNVBAGLBSA-N 1 0 204.277 1.502 10 0 BDAERO O=Cc1cn([C@H]2CCC[N@H+](CC3CC3)C2)nn1 ZINC000409427260 343800688 /nfs/dbraw/zinc/80/06/88/343800688.db2.gz VMBBGINZARDTQY-LBPRGKRZSA-N 1 0 234.303 1.138 10 0 BDAERO COCc1ccc2c(c1)CCN2CC(=[NH2+])NO ZINC000409427458 343801203 /nfs/dbraw/zinc/80/12/03/343801203.db2.gz FHAQEUACCCEHBF-UHFFFAOYSA-N 1 0 235.287 1.152 10 0 BDAERO Nc1c[nH+]cc(-c2cncc(F)c2)c1N ZINC000216143913 346980192 /nfs/dbraw/zinc/98/01/92/346980192.db2.gz QBACNJIFRIFPAE-UHFFFAOYSA-N 1 0 204.208 1.447 10 0 BDAERO [NH3+]Cc1cccc(OCC2CC(F)(F)C2)n1 ZINC000409423181 343814879 /nfs/dbraw/zinc/81/48/79/343814879.db2.gz AMVIMAKSHKDSMW-UHFFFAOYSA-N 1 0 228.242 1.964 10 0 BDAERO CC(C)CC[N@@H+]1CC[C@@H](n2cc(C=O)nn2)C1 ZINC000409423805 343816376 /nfs/dbraw/zinc/81/63/76/343816376.db2.gz DIGMUFKUTKKLOW-GFCCVEGCSA-N 1 0 236.319 1.384 10 0 BDAERO FC[C@H]1C[NH2+]C[C@H]1c1ccc2c(c1)OCO2 ZINC000409423881 343816392 /nfs/dbraw/zinc/81/63/92/343816392.db2.gz VILXRYMLMJLMAU-UWVGGRQHSA-N 1 0 223.247 1.688 10 0 BDAERO NC(=[NH2+])N1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409425481 343819293 /nfs/dbraw/zinc/81/92/93/343819293.db2.gz GCZCORFCBNIOQD-RNFRBKRXSA-N 1 0 203.236 1.247 10 0 BDAERO [NH3+]Cc1ncn2c1CO[C@H](c1cccs1)C2 ZINC000409425836 343820378 /nfs/dbraw/zinc/82/03/78/343820378.db2.gz BVHZCUKMENVGMU-JTQLQIEISA-N 1 0 235.312 1.675 10 0 BDAERO CC1(CF)CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000409426266 343821979 /nfs/dbraw/zinc/82/19/79/343821979.db2.gz BWORXLFWIUXFEC-SNVBAGLBSA-N 1 0 228.311 1.194 10 0 BDAERO CC(C)CCNc1cc(OCC[NH3+])ncn1 ZINC000409431564 343823826 /nfs/dbraw/zinc/82/38/26/343823826.db2.gz WXLMMFKTPHBKHF-UHFFFAOYSA-N 1 0 224.308 1.272 10 0 BDAERO CCCCN(C)c1cc(OCC[NH3+])nc(C)n1 ZINC000409431543 343823943 /nfs/dbraw/zinc/82/39/43/343823943.db2.gz VXPYSAYKASKIFM-UHFFFAOYSA-N 1 0 238.335 1.359 10 0 BDAERO CCOC[C@@H]1CN(C(=O)CC[NH3+])CC12CCC2 ZINC000409432663 343826864 /nfs/dbraw/zinc/82/68/64/343826864.db2.gz LNRPTYYGKPVOPY-NSHDSACASA-N 1 0 240.347 1.000 10 0 BDAERO CC[C@@H](C)Nc1cc(OCC[NH3+])nc(C)n1 ZINC000409429477 343805669 /nfs/dbraw/zinc/80/56/69/343805669.db2.gz LZBBPTVZWXDZQY-MRVPVSSYSA-N 1 0 224.308 1.333 10 0 BDAERO [NH3+]CCC(=O)N1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409429869 343806540 /nfs/dbraw/zinc/80/65/40/343806540.db2.gz POAFNOWZZMOFOU-IUCAKERBSA-N 1 0 232.274 1.229 10 0 BDAERO [NH3+]CCC(=O)N1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409429867 343806685 /nfs/dbraw/zinc/80/66/85/343806685.db2.gz POAFNOWZZMOFOU-BDAKNGLRSA-N 1 0 232.274 1.229 10 0 BDAERO C[NH2+][C@@H]1CCC(=O)N(C)c2ccsc21 ZINC000409430067 343807253 /nfs/dbraw/zinc/80/72/53/343807253.db2.gz DNKUFMWWOMEQKQ-SSDOTTSWSA-N 1 0 210.302 1.765 10 0 BDAERO Cc1nc(CC2CC2)cc(N2CC[NH2+]CC2)n1 ZINC000409430060 343807278 /nfs/dbraw/zinc/80/72/78/343807278.db2.gz KPUNKLSXMIXYAQ-UHFFFAOYSA-N 1 0 232.331 1.147 10 0 BDAERO [NH3+]C[C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409430130 343807559 /nfs/dbraw/zinc/80/75/59/343807559.db2.gz LIIHLGGEVZMUBJ-ZIAGYGMSSA-N 1 0 216.328 1.857 10 0 BDAERO c1ccc(C[N@@H+]2CCN[C@]3(CCOC3)C2)cc1 ZINC000409430125 343807718 /nfs/dbraw/zinc/80/77/18/343807718.db2.gz FKKSNGWACOIXES-CQSZACIVSA-N 1 0 232.327 1.251 10 0 BDAERO [NH3+]Cc1c(-c2cnccn2)n[nH]c1C1CCC1 ZINC000409440692 343853407 /nfs/dbraw/zinc/85/34/07/343853407.db2.gz NXQQIYAWIJWITI-UHFFFAOYSA-N 1 0 229.287 1.593 10 0 BDAERO NC(=[NH2+])c1c2c(nn1CC1CC1)CCCC2 ZINC000409440079 343854070 /nfs/dbraw/zinc/85/40/70/343854070.db2.gz RPHSVJMKGJAWFT-UHFFFAOYSA-N 1 0 218.304 1.456 10 0 BDAERO [NH3+]CCCn1nc(C2CC2)cc1C1CC1 ZINC000409440727 343854660 /nfs/dbraw/zinc/85/46/60/343854660.db2.gz OKDLKXMOODOAQV-UHFFFAOYSA-N 1 0 205.305 1.987 10 0 BDAERO [NH3+]CCc1cn(CC2CC2)nc1C(F)(F)F ZINC000409441099 343855055 /nfs/dbraw/zinc/85/50/55/343855055.db2.gz WFEGHHHQDPQHDO-UHFFFAOYSA-N 1 0 233.237 1.813 10 0 BDAERO [NH2+]=C(NO)[C@@H]([C@@H]1CCOC1)n1cccc1 ZINC000409440876 343856119 /nfs/dbraw/zinc/85/61/19/343856119.db2.gz MMDWPCFVBQKUPC-RKDXNWHRSA-N 1 0 209.249 1.022 10 0 BDAERO O=C(C1C[NH2+]C1)N1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409433952 343831033 /nfs/dbraw/zinc/83/10/33/343831033.db2.gz ZIWQDSVHPMZSCN-PSASIEDQSA-N 1 0 244.285 1.100 10 0 BDAERO COC[C@]12C[N@H+](CCO)C[C@H]1CCCC2 ZINC000409436096 343837502 /nfs/dbraw/zinc/83/75/02/343837502.db2.gz YCPMDYJOCXTYSM-NEPJUHHUSA-N 1 0 213.321 1.117 10 0 BDAERO [NH3+]Cc1cc(C2CCOCC2)nc(C2CC2)n1 ZINC000409437555 343840572 /nfs/dbraw/zinc/84/05/72/343840572.db2.gz HCJJRTSCSHQPBU-UHFFFAOYSA-N 1 0 233.315 1.707 10 0 BDAERO c1cn([C@H]2CCC[NH2+]C2)nc1-c1cccnc1 ZINC000409438673 343844905 /nfs/dbraw/zinc/84/49/05/343844905.db2.gz DYNITOFGUDIRMW-LBPRGKRZSA-N 1 0 228.299 1.870 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1c1noc(-c2cccnc2)n1 ZINC000409439040 343846565 /nfs/dbraw/zinc/84/65/65/343846565.db2.gz FZNAVIAINSBNAH-MNOVXSKESA-N 1 0 244.298 1.987 10 0 BDAERO CCn1cc(C(N)=[NH2+])c(-c2ccsc2)n1 ZINC000409439606 343848033 /nfs/dbraw/zinc/84/80/33/343848033.db2.gz PVULJRHSCONLME-UHFFFAOYSA-N 1 0 220.301 1.916 10 0 BDAERO NC(=[NH2+])c1cnn2ccn(C3CCCC3)c12 ZINC000409437694 343848422 /nfs/dbraw/zinc/84/84/22/343848422.db2.gz IIBGLXOCJLRPOE-UHFFFAOYSA-N 1 0 217.276 1.535 10 0 BDAERO CCc1[nH]nc(-c2cccnc2)c1C[NH3+] ZINC000409440263 343851379 /nfs/dbraw/zinc/85/13/79/343851379.db2.gz LUHCJEORSWTJNA-UHFFFAOYSA-N 1 0 202.261 1.493 10 0 BDAERO O[C@@]1(COc2ccc(F)cc2)CCC[NH2+]C1 ZINC000394928231 343883704 /nfs/dbraw/zinc/88/37/04/343883704.db2.gz IFFXXYQAKJNFIP-LBPRGKRZSA-N 1 0 225.263 1.319 10 0 BDAERO [NH3+]CCc1c2c(nn1CC1CC1)CCC2 ZINC000409441412 343859119 /nfs/dbraw/zinc/85/91/19/343859119.db2.gz XQWGQSKOEQXFBW-UHFFFAOYSA-N 1 0 205.305 1.283 10 0 BDAERO NC(=[NH2+])Cn1ccc(-c2ccsc2)n1 ZINC000409441328 343859131 /nfs/dbraw/zinc/85/91/31/343859131.db2.gz RBKVTPLMZWNSII-UHFFFAOYSA-N 1 0 206.274 1.548 10 0 BDAERO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCCOC1 ZINC000109548998 537829672 /nfs/dbraw/zinc/82/96/72/537829672.db2.gz OGKGMYRWWDYGRF-RYUDHWBXSA-N 1 0 240.347 1.061 10 0 BDAERO C[N@@H+]1C[C@@H](CO)C[C@H]1c1cccc(F)c1 ZINC000409441607 343859868 /nfs/dbraw/zinc/85/98/68/343859868.db2.gz QAMGOMSTKASCEB-CABZTGNLSA-N 1 0 209.264 1.811 10 0 BDAERO CC(C)n1nc(-c2cccnc2)cc1C[NH3+] ZINC000409443997 343863736 /nfs/dbraw/zinc/86/37/36/343863736.db2.gz YDMXDLZFUMSIMZ-UHFFFAOYSA-N 1 0 216.288 1.985 10 0 BDAERO c1cc2cccn(C[C@@H]3CCC[NH2+]C3)c-2n1 ZINC000409443481 343867207 /nfs/dbraw/zinc/86/72/07/343867207.db2.gz NRQSLRCHRKWZOE-LLVKDONJSA-N 1 0 215.300 1.988 10 0 BDAERO CC[C@@H](O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000106384933 347010404 /nfs/dbraw/zinc/01/04/04/347010404.db2.gz XJIHRRGOGVSAHV-GFCCVEGCSA-N 1 0 237.347 1.370 10 0 BDAERO CC[N@@H+]1CCC[C@H](N[C@H]2C[C@H](C)n3ccnc32)C1 ZINC000345363686 343910039 /nfs/dbraw/zinc/91/00/39/343910039.db2.gz WHNFSEROLFOWDY-AVGNSLFASA-N 1 0 248.374 1.963 10 0 BDAERO CC[N@@H+]1CCC[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000345363691 343910173 /nfs/dbraw/zinc/91/01/73/343910173.db2.gz WHNFSEROLFOWDY-FRRDWIJNSA-N 1 0 248.374 1.963 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@@H](O)C1CCC1 ZINC000234321366 343941051 /nfs/dbraw/zinc/94/10/51/343941051.db2.gz PBZOGXDATCJMQG-ZJUUUORDSA-N 1 0 201.335 1.195 10 0 BDAERO CC[C@@H]([NH3+])c1noc([C@H]2CCSC2)n1 ZINC000070004665 343946187 /nfs/dbraw/zinc/94/61/87/343946187.db2.gz KKVMGJYONGUJRF-NKWVEPMBSA-N 1 0 213.306 1.700 10 0 BDAERO C[C@@H]([NH3+])Cc1noc([C@@H]2CCSC2)n1 ZINC000070005039 343946307 /nfs/dbraw/zinc/94/63/07/343946307.db2.gz QQUIUBDTQTWWCZ-RNFRBKRXSA-N 1 0 213.306 1.180 10 0 BDAERO CN(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000022213844 343929221 /nfs/dbraw/zinc/92/92/21/343929221.db2.gz IKAASFIGQMGFRL-LURJTMIESA-N 1 0 233.109 1.604 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000312724137 343933779 /nfs/dbraw/zinc/93/37/79/343933779.db2.gz RRWZBWGAVFGMBM-GMTAPVOTSA-N 1 0 215.337 1.144 10 0 BDAERO Cc1nnc(N[C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000165732977 343970493 /nfs/dbraw/zinc/97/04/93/343970493.db2.gz SFAFNJNPBRWMHC-RITPCOANSA-N 1 0 200.311 1.384 10 0 BDAERO CS[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC000307635342 343955854 /nfs/dbraw/zinc/95/58/54/343955854.db2.gz RJVUIHOZVKLDHG-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO CN([C@@H]1CC[NH2+]C1)[C@@H]1CCCSC1 ZINC000070893013 343957515 /nfs/dbraw/zinc/95/75/15/343957515.db2.gz XLHTULGEEWYYQU-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]1C[N@@H+](CC(C)(C)CO)C[C@H](C)O1 ZINC000051291716 347026849 /nfs/dbraw/zinc/02/68/49/347026849.db2.gz VAJGLXMQKUYCEH-AOOOYVTPSA-N 1 0 201.310 1.114 10 0 BDAERO CN(CC(C)(C)C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634744533 344165996 /nfs/dbraw/zinc/16/59/96/344165996.db2.gz BGJSDUGBCPUIGE-FZMZJTMJSA-N 1 0 238.375 1.881 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634745500 344169228 /nfs/dbraw/zinc/16/92/28/344169228.db2.gz KBHQULNHWHVEOS-MNXVOIDGSA-N 1 0 238.375 1.927 10 0 BDAERO [NH3+][C@H]1CCCCC12CCN(C(=O)C1CC1)CC2 ZINC000616570921 344178674 /nfs/dbraw/zinc/17/86/74/344178674.db2.gz IBZZDLANIYFNML-LBPRGKRZSA-N 1 0 236.359 1.907 10 0 BDAERO O=C(N1CCCCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735736 344122898 /nfs/dbraw/zinc/12/28/98/344122898.db2.gz PJBZGCCYIAJWJD-JSGCOSHPSA-N 1 0 236.359 1.779 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736597 344127353 /nfs/dbraw/zinc/12/73/53/344127353.db2.gz SJQJKSBIWVZVSU-MDZLAQPJSA-N 1 0 224.348 1.537 10 0 BDAERO CCC[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736642 344127478 /nfs/dbraw/zinc/12/74/78/344127478.db2.gz USTPFRBRONTPBZ-GVXVVHGQSA-N 1 0 224.348 1.681 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCCC(F)(F)CC1 ZINC000634737798 344136688 /nfs/dbraw/zinc/13/66/88/344136688.db2.gz ZPFSTJPXBQGBFI-JTQLQIEISA-N 1 0 246.301 1.634 10 0 BDAERO CC(C)(C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634738711 344146402 /nfs/dbraw/zinc/14/64/02/344146402.db2.gz XPVWZYWIXWUZQP-GWCFXTLKSA-N 1 0 224.348 1.538 10 0 BDAERO C[C@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC000634746803 344177543 /nfs/dbraw/zinc/17/75/43/344177543.db2.gz KXHCUPPHOCZWJF-OSMZGAPFSA-N 1 0 236.359 1.538 10 0 BDAERO CC(C)CCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634739318 344156861 /nfs/dbraw/zinc/15/68/61/344156861.db2.gz QBALCWDIIJQTNY-JSGCOSHPSA-N 1 0 238.375 1.929 10 0 BDAERO COC(=O)c1ccnc(N2CC[C@H]([NH+](C)C)C2)c1 ZINC000234635694 344159955 /nfs/dbraw/zinc/15/99/55/344159955.db2.gz CGSMWIKCHVLPLK-NSHDSACASA-N 1 0 249.314 1.009 10 0 BDAERO CC1(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634756805 344220924 /nfs/dbraw/zinc/22/09/24/344220924.db2.gz FGNUNHSCJMWVJR-GWCFXTLKSA-N 1 0 222.332 1.292 10 0 BDAERO C=CC(=O)N[C@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616571836 344181741 /nfs/dbraw/zinc/18/17/41/344181741.db2.gz SHTFTGFXQUJHQH-MNOVXSKESA-N 1 0 210.321 1.313 10 0 BDAERO C/C=C(/C)C(=O)Nc1cccnc1C[NH3+] ZINC000616571821 344181941 /nfs/dbraw/zinc/18/19/41/344181941.db2.gz IJYVLAXRHLWOPC-BAQGIRSFSA-N 1 0 205.261 1.445 10 0 BDAERO Cc1ncc([C@@H](C[NH3+])C2CCOCC2)cn1 ZINC000217373594 344192100 /nfs/dbraw/zinc/19/21/00/344192100.db2.gz JXFDVKDUAZFNQJ-LBPRGKRZSA-N 1 0 221.304 1.254 10 0 BDAERO O=C1CCCC[C@H]1C[NH+]1CCC(O)CC1 ZINC000060719863 344197833 /nfs/dbraw/zinc/19/78/33/344197833.db2.gz GJIMUFXMJIVTOT-JTQLQIEISA-N 1 0 211.305 1.202 10 0 BDAERO Cc1cccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000634763503 344267808 /nfs/dbraw/zinc/26/78/08/344267808.db2.gz XUJUASMAZUFZPZ-FZMZJTMJSA-N 1 0 245.326 1.718 10 0 BDAERO O=[N+]1Cc2ccccc2[C@H](O)C12CCCC2 ZINC000027556350 344272590 /nfs/dbraw/zinc/27/25/90/344272590.db2.gz RKKSUFSNELHBAZ-LBPRGKRZSA-N 1 0 217.268 1.976 10 0 BDAERO Cc1csc([C@@]2(N)C[C@H](C)[N@@H+](C)C2)n1 ZINC000127396723 344292331 /nfs/dbraw/zinc/29/23/31/344292331.db2.gz ACGWILRITJIOKF-WCBMZHEXSA-N 1 0 211.334 1.330 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H](C(F)F)[C@H]([NH3+])C1 ZINC000220367660 344243922 /nfs/dbraw/zinc/24/39/22/344243922.db2.gz IHBPOBJSXPGYRH-RNFRBKRXSA-N 1 0 236.262 1.446 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1nccc(C(F)(F)F)n1 ZINC000385222688 344378304 /nfs/dbraw/zinc/37/83/04/344378304.db2.gz HGRNYBCHWUZGRR-NKWVEPMBSA-N 1 0 246.236 1.421 10 0 BDAERO Cc1cc(C)nc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385252097 344386313 /nfs/dbraw/zinc/38/63/13/344386313.db2.gz OCUVZMFSNVBQKE-VHSXEESVSA-N 1 0 206.293 1.019 10 0 BDAERO Cc1nn(C)c(C[C@H](F)C[NH3+])c1Cl ZINC000158077023 344398017 /nfs/dbraw/zinc/39/80/17/344398017.db2.gz KTLXTMFIFMKQBS-LURJTMIESA-N 1 0 205.664 1.221 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)C(C)C ZINC000081980841 537846729 /nfs/dbraw/zinc/84/67/29/537846729.db2.gz OPOFGDQZESRGRS-QWRGUYRKSA-N 1 0 233.377 1.730 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CSC[C@H]1C ZINC000310006533 344495139 /nfs/dbraw/zinc/49/51/39/344495139.db2.gz GXNKHJWXSLXQTJ-UTUOFQBUSA-N 1 0 247.404 1.505 10 0 BDAERO Nc1ncc(Cl)cc1C1(F)CNC1 ZINC000158136189 344550351 /nfs/dbraw/zinc/55/03/51/344550351.db2.gz WXKUHNKVQOUVID-UHFFFAOYSA-N 1 0 201.632 1.085 10 0 BDAERO C[C@@H]1SCC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000220635562 344562063 /nfs/dbraw/zinc/56/20/63/344562063.db2.gz BTGXVPCMGZRSQM-DCAQKATOSA-N 1 0 214.378 1.564 10 0 BDAERO C[C@H]1C[C@H](C)N(Cc2nnsc2N)C1 ZINC000158206075 344563657 /nfs/dbraw/zinc/56/36/57/344563657.db2.gz DBMSMDHLGXTPOM-BQBZGAKWSA-N 1 0 212.322 1.351 10 0 BDAERO CO[C@H]1CCCC[C@@]12[NH2+]CCc1nc[nH]c12 ZINC000400375231 537853677 /nfs/dbraw/zinc/85/36/77/537853677.db2.gz INBZUVNQQZHADV-CMPLNLGQSA-N 1 0 221.304 1.340 10 0 BDAERO c1nc2c([nH]1)[C@H]([C@@H]1CC=CCC1)[NH2+]CC2 ZINC000400404144 537853344 /nfs/dbraw/zinc/85/33/44/537853344.db2.gz RZGGRXUMSJHYSW-KOLCDFICSA-N 1 0 203.289 1.953 10 0 BDAERO CC[C@](C)(OC)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400370676 537853527 /nfs/dbraw/zinc/85/35/27/537853527.db2.gz AQLCTASHHRDPNE-QWRGUYRKSA-N 1 0 209.293 1.412 10 0 BDAERO CCC[C@@H](OC)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400395997 537853949 /nfs/dbraw/zinc/85/39/49/537853949.db2.gz MFYMWZQHVUXVKA-MWLCHTKSSA-N 1 0 209.293 1.412 10 0 BDAERO O=C1NCCCC[C@H]1[NH+]1CCCCCCC1 ZINC000010036433 347064414 /nfs/dbraw/zinc/06/44/14/347064414.db2.gz WTQXOHLFKRHQIJ-GFCCVEGCSA-N 1 0 224.348 1.921 10 0 BDAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000625977042 344642589 /nfs/dbraw/zinc/64/25/89/344642589.db2.gz WXMAGSMYXOJRBD-RXGFPQBGSA-N 1 0 226.364 1.482 10 0 BDAERO C[C@H]1C[C@]2(C[N@@H+]1C)NCC[C@@H](C)S2 ZINC000127756282 344643428 /nfs/dbraw/zinc/64/34/28/344643428.db2.gz JPLHSXSGFLXEGJ-AEJSXWLSSA-N 1 0 200.351 1.522 10 0 BDAERO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2)C1=O ZINC000227619675 344644547 /nfs/dbraw/zinc/64/45/47/344644547.db2.gz AAWXCKSRVPWDGX-SECBINFHSA-N 1 0 210.664 1.010 10 0 BDAERO NC[C@](F)(C1CC1)[C@@H]1CCCCC[NH2+]1 ZINC000158411923 344645901 /nfs/dbraw/zinc/64/59/01/344645901.db2.gz YLFVSPRDXFJRMN-QWRGUYRKSA-N 1 0 200.301 1.596 10 0 BDAERO C[C@@H]1C[NH2+][C@H]([C@@H]2CCOC2)CSC1 ZINC000158688805 344720058 /nfs/dbraw/zinc/72/00/58/344720058.db2.gz NKBPXSPTBPXCOS-BBBLOLIVSA-N 1 0 201.335 1.364 10 0 BDAERO CC1(C)CSC[C@H]([C@@H]2CCOC2)[NH2+]1 ZINC000158703621 344727937 /nfs/dbraw/zinc/72/79/37/344727937.db2.gz WICHOFYCOXTCAH-RKDXNWHRSA-N 1 0 201.335 1.507 10 0 BDAERO Nc1cc[nH+]cc1C[C@H](O)C(F)(F)Cl ZINC000158718163 344731088 /nfs/dbraw/zinc/73/10/88/344731088.db2.gz QRRRHOWVEJQAPD-ZETCQYMHSA-N 1 0 222.622 1.399 10 0 BDAERO C1C[C@@H](N2CCC[C@@H]3C[NH2+]C[C@@H]32)CS1 ZINC000221359216 344734479 /nfs/dbraw/zinc/73/44/79/344734479.db2.gz LJIXFYUVSQOBFD-MXWKQRLJSA-N 1 0 212.362 1.176 10 0 BDAERO C1=CCN(CC[C@@H]2CSCC[NH2+]2)CC1 ZINC000166124873 344742415 /nfs/dbraw/zinc/74/24/15/344742415.db2.gz BYGUNHNGBNAJHY-LLVKDONJSA-N 1 0 212.362 1.343 10 0 BDAERO C[N@H+](C[C@H]1C[C@@H](O)C1)C[C@H]1CCC[C@H](O)C1 ZINC000626046554 344697362 /nfs/dbraw/zinc/69/73/62/344697362.db2.gz IOVMTYQPWZYPDG-ZDEQEGDKSA-N 1 0 227.348 1.240 10 0 BDAERO CC(C)=C(F)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158622926 344701714 /nfs/dbraw/zinc/70/17/14/344701714.db2.gz FLVLFFBCZFYHKV-QMMMGPOBSA-N 1 0 200.257 1.200 10 0 BDAERO CC(C)SCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000309459832 347067574 /nfs/dbraw/zinc/06/75/74/347067574.db2.gz OMESXLZRVLQJIT-NXEZZACHSA-N 1 0 230.377 1.372 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C2CCCC2)C[S@@]1=O ZINC000158670895 344715382 /nfs/dbraw/zinc/71/53/82/344715382.db2.gz MTXDIPJIQSEORP-ZDSQKVDBSA-N 1 0 201.335 1.286 10 0 BDAERO CS[C@H]1CC[C@H](NC2=[NH+]CCS2)C1 ZINC000235106540 344789329 /nfs/dbraw/zinc/78/93/29/344789329.db2.gz XGNOAZMGORAGIU-YUMQZZPRSA-N 1 0 216.375 1.963 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1oc(C)nc1C ZINC000382024616 347077472 /nfs/dbraw/zinc/07/74/72/347077472.db2.gz ROWPJVOWYUPDCF-SECBINFHSA-N 1 0 225.292 1.035 10 0 BDAERO CC(=O)c1ccccc1NC1=[NH+]CCN1 ZINC000675072201 537869519 /nfs/dbraw/zinc/86/95/19/537869519.db2.gz AEVWXHSKSDAUQH-UHFFFAOYSA-N 1 0 203.245 1.260 10 0 BDAERO C[NH+](C)CC[C@]1(C)NCCc2occc21 ZINC000715209961 537868912 /nfs/dbraw/zinc/86/89/12/537868912.db2.gz WIOOQJMDKYEQCQ-LBPRGKRZSA-N 1 0 208.305 1.592 10 0 BDAERO C[NH+](C)CC[C@@]1(C)NCCc2occc21 ZINC000715209958 537869146 /nfs/dbraw/zinc/86/91/46/537869146.db2.gz WIOOQJMDKYEQCQ-GFCCVEGCSA-N 1 0 208.305 1.592 10 0 BDAERO C[C@@H](c1c(Br)nnn1C)[C@H](C)C[NH3+] ZINC000235435435 344910527 /nfs/dbraw/zinc/91/05/27/344910527.db2.gz XFADNACYWQRNAO-PHDIDXHHSA-N 1 0 247.140 1.276 10 0 BDAERO Cc1ncc(C[N@@H+]2CC[C@H](CCO)C2)o1 ZINC000628176974 344906019 /nfs/dbraw/zinc/90/60/19/344906019.db2.gz FQTWXURDVCRJQS-SNVBAGLBSA-N 1 0 210.277 1.187 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@@H](CN)[C@@H]2CCSC2)C1 ZINC000224501399 344934026 /nfs/dbraw/zinc/93/40/26/344934026.db2.gz IPMXDPORYBBEMB-MXWKQRLJSA-N 1 0 214.378 1.409 10 0 BDAERO [NH3+]C[C@H](NCc1ccccc1)[C@H]1CCSC1 ZINC000224531662 344938375 /nfs/dbraw/zinc/93/83/75/344938375.db2.gz MVNHYKAPQZYFHR-STQMWFEESA-N 1 0 236.384 1.857 10 0 BDAERO C[C@H](CO)Nc1c(N)c[nH+]cc1Br ZINC000235460007 344917548 /nfs/dbraw/zinc/91/75/48/344917548.db2.gz AJEWIXZIHNUSAG-RXMQYKEDSA-N 1 0 246.108 1.219 10 0 BDAERO Cn1ccc(C[C@@]2(C[NH3+])CCCS2)n1 ZINC000166519236 344917969 /nfs/dbraw/zinc/91/79/69/344917969.db2.gz WGHLPPNUNJHSGJ-SNVBAGLBSA-N 1 0 211.334 1.187 10 0 BDAERO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(N)=S)C1 ZINC000166713081 344972607 /nfs/dbraw/zinc/97/26/07/344972607.db2.gz CQRZTMRGEAONOY-HLTSFMKQSA-N 1 0 200.351 1.639 10 0 BDAERO O=C1CCOC[C@@H]1[C@H]1CCCCCC[NH2+]1 ZINC000301032302 537880994 /nfs/dbraw/zinc/88/09/94/537880994.db2.gz RVLUXTPKUDMDHR-GHMZBOCLSA-N 1 0 211.305 1.514 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(F)cc1Br ZINC000044234873 344987527 /nfs/dbraw/zinc/98/75/27/344987527.db2.gz LTHGOFHUOISGHS-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(F)c(Cl)c1 ZINC000044232683 344988584 /nfs/dbraw/zinc/98/85/84/344988584.db2.gz JEZFBUIXMOAAEP-VIFPVBQESA-N 1 0 203.644 1.861 10 0 BDAERO [NH3+][C@@H](CCO)c1c(F)c(F)cc(F)c1F ZINC000044233269 344989218 /nfs/dbraw/zinc/98/92/18/344989218.db2.gz KSNCULADJAADKB-LURJTMIESA-N 1 0 223.169 1.625 10 0 BDAERO Cn1cccc1[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000011848715 345031179 /nfs/dbraw/zinc/03/11/79/345031179.db2.gz YBGJNOLVOKINOF-LBPRGKRZSA-N 1 0 216.284 1.973 10 0 BDAERO Cn1cccc1[C@@H]([NH3+])c1ccc(O)cc1 ZINC000011848699 345031426 /nfs/dbraw/zinc/03/14/26/345031426.db2.gz VEBWCXQSKDWMRC-LBPRGKRZSA-N 1 0 202.257 1.779 10 0 BDAERO N[C@@H](C[NH3+])c1cscc1Br ZINC000044476954 345090860 /nfs/dbraw/zinc/09/08/60/345090860.db2.gz GEVZBYHRIOSVKZ-LURJTMIESA-N 1 0 221.123 1.469 10 0 BDAERO C(C[C@@H]1CCCO1)NC1=[NH+]CCCS1 ZINC000044510467 345103443 /nfs/dbraw/zinc/10/34/43/345103443.db2.gz GFLUBOXTVLGKOI-VIFPVBQESA-N 1 0 214.334 1.638 10 0 BDAERO [NH3+]Cc1ccc(F)c(OC(F)(F)F)n1 ZINC000238680417 345108558 /nfs/dbraw/zinc/10/85/58/345108558.db2.gz WNCULQKQAIVMBZ-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO [NH3+]Cc1ccc(F)nc1OC(F)(F)F ZINC000238680880 345111023 /nfs/dbraw/zinc/11/10/23/345111023.db2.gz JCWXIQAUWGGVGC-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO [NH3+]Cc1ccnc(F)c1OC(F)(F)F ZINC000238690355 345112763 /nfs/dbraw/zinc/11/27/63/345112763.db2.gz IBJQTFXISQVNAJ-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634950416 345127325 /nfs/dbraw/zinc/12/73/25/345127325.db2.gz RCPOEIHPAFKDGW-QWRGUYRKSA-N 1 0 233.377 1.588 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000570954717 323084401 /nfs/dbraw/zinc/08/44/01/323084401.db2.gz NKFLNRVMLSNGEW-GHMZBOCLSA-N 1 0 226.364 1.925 10 0 BDAERO C[C@@H]1OC[C@@]2([NH2+][C@H](C)CCS2)[C@H]1C ZINC000405549373 345239534 /nfs/dbraw/zinc/23/95/34/345239534.db2.gz RIMSDKNUPHSEEN-KATARQTJSA-N 1 0 201.335 1.853 10 0 BDAERO COc1cc(C)nc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000634999009 345199294 /nfs/dbraw/zinc/19/92/94/345199294.db2.gz OOKBIERIPDMKPH-CMPLNLGQSA-N 1 0 249.358 1.425 10 0 BDAERO [NH3+][C@H]1CCO[C@H]1c1ccc(Br)cn1 ZINC000130221731 345270375 /nfs/dbraw/zinc/27/03/75/345270375.db2.gz MWCKKZBKIXRICM-IONNQARKSA-N 1 0 243.104 1.633 10 0 BDAERO Cc1ccc([C@@]2(C)C[C@]2(C[NH3+])CO)c(C)c1 ZINC000070500812 178880926 /nfs/dbraw/zinc/88/09/26/178880926.db2.gz PZAABGDUQYRSAL-KGLIPLIRSA-N 1 0 219.328 1.902 10 0 BDAERO CCN(CC1CC1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000068947184 349931501 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/nfs/dbraw/zinc/75/35/04/345753504.db2.gz YDCZPWGIPUQFDG-ZIAGYGMSSA-N 1 0 248.326 1.548 10 0 BDAERO C[NH+]1CCN(c2nccc3ccc(N)cc32)CC1 ZINC000082753785 345738203 /nfs/dbraw/zinc/73/82/03/345738203.db2.gz IUMWRNTXTBKDJU-UHFFFAOYSA-N 1 0 242.326 1.569 10 0 BDAERO Nc1ccc2c(c1)OC[C@H](C[NH+]1CCCC1)O2 ZINC000136253855 345810433 /nfs/dbraw/zinc/81/04/33/345810433.db2.gz SORCTTVYOKLRLI-NSHDSACASA-N 1 0 234.299 1.504 10 0 BDAERO CCO[C@H]1C[NH2+]C[C@@H](Oc2ccccc2)C1 ZINC000136433577 345813320 /nfs/dbraw/zinc/81/33/20/345813320.db2.gz YYLSEMWMLWYJPP-OLZOCXBDSA-N 1 0 221.300 1.832 10 0 BDAERO CC[N@@H+]1CC[C@H]2[C@H](C(=O)OC)CCC[C@@H]2C1 ZINC000256004536 345765158 /nfs/dbraw/zinc/76/51/58/345765158.db2.gz ULPTVDUQBTYMEY-IJLUTSLNSA-N 1 0 225.332 1.918 10 0 BDAERO Cc1cc(NC(=O)C[NH3+])cnc1Br ZINC000235755018 345843515 /nfs/dbraw/zinc/84/35/15/345843515.db2.gz QQJOVFDZPQAOTR-UHFFFAOYSA-N 1 0 244.092 1.050 10 0 BDAERO [NH3+]Cc1ccc2c(c1)N(Cc1c[nH]cn1)CC2 ZINC000034894404 345845765 /nfs/dbraw/zinc/84/57/65/345845765.db2.gz LCXFTSOVXHCSOR-UHFFFAOYSA-N 1 0 228.299 1.431 10 0 BDAERO CCOC(=O)[C@@H](CC1CC[NH+](C)CC1)C(C)=O ZINC000137578130 345847226 /nfs/dbraw/zinc/84/72/26/345847226.db2.gz AEFGWRXPDHGSAH-LBPRGKRZSA-N 1 0 241.331 1.487 10 0 BDAERO N#CCc1ccc(N)c(C2=CC[NH2+]CC2)c1 ZINC000141438419 345860737 /nfs/dbraw/zinc/86/07/37/345860737.db2.gz VKOJSUPDNTZRAG-UHFFFAOYSA-N 1 0 213.284 1.712 10 0 BDAERO C[C@@H](c1cccc2ncccc21)[C@@H](N)C[NH3+] ZINC000141796589 345861112 /nfs/dbraw/zinc/86/11/12/345861112.db2.gz WGOAVGXHEPZJMZ-CABZTGNLSA-N 1 0 215.300 1.624 10 0 BDAERO c1cn(Cc2ccccc2)c(N2CC[NH2+]CC2)n1 ZINC000221193504 345863458 /nfs/dbraw/zinc/86/34/58/345863458.db2.gz WTVDZKAKPOWZSA-UHFFFAOYSA-N 1 0 242.326 1.341 10 0 BDAERO C=Cn1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cn1 ZINC000236541262 537918286 /nfs/dbraw/zinc/91/82/86/537918286.db2.gz RPWANCCCFPKXEE-NWDGAFQWSA-N 1 0 221.304 1.377 10 0 BDAERO NC(=S)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000143906969 345913658 /nfs/dbraw/zinc/91/36/58/345913658.db2.gz SXSKQICXHDANJG-LLVKDONJSA-N 1 0 220.341 1.795 10 0 BDAERO C[C@H](Cc1ccccc1)[N@@H+]1CC[C@H](CO)C1 ZINC000082946152 345914439 /nfs/dbraw/zinc/91/44/39/345914439.db2.gz JIBJNFSQKLPWIJ-OCCSQVGLSA-N 1 0 219.328 1.932 10 0 BDAERO [NH3+][C@H]1CCc2nc(C3CCCC3)[nH]c2C1 ZINC000083986031 345921476 /nfs/dbraw/zinc/92/14/76/345921476.db2.gz OMTJTLYMTAWVKC-VIFPVBQESA-N 1 0 205.305 1.883 10 0 BDAERO c1csc(COC[C@@H]2CCC[NH2+]C2)n1 ZINC000087391726 345938158 /nfs/dbraw/zinc/93/81/58/345938158.db2.gz YZZVNNZJRGVIHN-SECBINFHSA-N 1 0 212.318 1.659 10 0 BDAERO COC[C@H](C)Nc1cc(N)[nH+]c(C2CC2)n1 ZINC000087908988 345940406 /nfs/dbraw/zinc/94/04/06/345940406.db2.gz ZOXQFAZEDRUUBY-ZETCQYMHSA-N 1 0 222.292 1.383 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2CO)o1 ZINC000628218268 345948418 /nfs/dbraw/zinc/94/84/18/345948418.db2.gz ZPVAFKGUDFMOHS-ZYHUDNBSSA-N 1 0 224.304 1.624 10 0 BDAERO C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@H](CO)C1 ZINC000095089076 346025194 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/nfs/dbraw/zinc/21/78/89/346217889.db2.gz LWVRQHJQIGJHII-XVKPBYJWSA-N 1 0 210.302 1.369 10 0 BDAERO CCC[N@@H+]1CCC[C@@H]([C@H](C)S(=O)(=O)NC)C1 ZINC000669375888 537958726 /nfs/dbraw/zinc/95/87/26/537958726.db2.gz XZVSWBPUGYRCHB-WDEREUQCSA-N 1 0 248.392 1.046 10 0 BDAERO Cc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000082281997 179011257 /nfs/dbraw/zinc/01/12/57/179011257.db2.gz SVRWFJIAMJXCMO-LLVKDONJSA-N 1 0 233.315 1.166 10 0 BDAERO Cc1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000082281562 179011671 /nfs/dbraw/zinc/01/16/71/179011671.db2.gz UPFUDUJKQDNNLS-ZDUSSCGKSA-N 1 0 232.327 1.771 10 0 BDAERO O[C@]1(c2scnc2Br)CC[NH2+]C1 ZINC000236557566 346249793 /nfs/dbraw/zinc/24/97/93/346249793.db2.gz GGRKDHAKIFYHEQ-SSDOTTSWSA-N 1 0 249.133 1.087 10 0 BDAERO O[C@H](Cc1cncs1)[C@@H]1CCCC[NH2+]1 ZINC000236556453 346250079 /nfs/dbraw/zinc/25/00/79/346250079.db2.gz MELZBNQZQGDINI-VHSXEESVSA-N 1 0 212.318 1.189 10 0 BDAERO CC[C@@H](C[NH3+])[C@]1(O)CCCC2(C1)OCCO2 ZINC000669377884 537966427 /nfs/dbraw/zinc/96/64/27/537966427.db2.gz IRYITQFRIBVERP-QWRGUYRKSA-N 1 0 229.320 1.020 10 0 BDAERO Cc1cccc(C)c1N1C[C@H](C[NH3+])CC1=O ZINC000019669484 179039794 /nfs/dbraw/zinc/03/97/94/179039794.db2.gz BGJNNEADXFSBME-NSHDSACASA-N 1 0 218.300 1.615 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC2(C3CC3)CC2)C1 ZINC000381560351 346350638 /nfs/dbraw/zinc/35/06/38/346350638.db2.gz QEMCVWNBQPZFGT-PSASIEDQSA-N 1 0 208.305 1.173 10 0 BDAERO Cc1cccc(CCCN(C)CC[NH3+])c1 ZINC000077299988 179054054 /nfs/dbraw/zinc/05/40/54/179054054.db2.gz UIDJAEFRESPOND-UHFFFAOYSA-N 1 0 206.333 1.818 10 0 BDAERO OCC[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000161583365 346337906 /nfs/dbraw/zinc/33/79/06/346337906.db2.gz SHOAAAVTMFPLGV-NSHDSACASA-N 1 0 206.289 1.286 10 0 BDAERO CCCCOCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161622737 346344144 /nfs/dbraw/zinc/34/41/44/346344144.db2.gz WZGYWHXVSOYXCB-LBPRGKRZSA-N 1 0 215.337 1.507 10 0 BDAERO CCCNC(=O)N(CC[NH2+]C)C(C)C ZINC000669378789 537973365 /nfs/dbraw/zinc/97/33/65/537973365.db2.gz NLOMUFWJHKPYHX-UHFFFAOYSA-N 1 0 201.314 1.036 10 0 BDAERO Nc1cc[nH+]cc1[C@@H](O)C(F)(F)Cl ZINC000158703421 346400200 /nfs/dbraw/zinc/40/02/00/346400200.db2.gz SKQUEMRDXBZXRO-ZCFIWIBFSA-N 1 0 208.595 1.529 10 0 BDAERO Cc1nc(C[NH3+])sc1-c1cnn(C)c1 ZINC000669379305 537978232 /nfs/dbraw/zinc/97/82/32/537978232.db2.gz BLFKDBQBYZVFKE-UHFFFAOYSA-N 1 0 208.290 1.311 10 0 BDAERO Cc1cccc(CN2CC[NH2+][C@@H](C)CC2)n1 ZINC000051577680 179080183 /nfs/dbraw/zinc/08/01/83/179080183.db2.gz PUDCBASKJLEUJB-NSHDSACASA-N 1 0 219.332 1.574 10 0 BDAERO Cc1cccc(CN2C[C@@H](C[NH3+])OC(C)(C)C2)c1 ZINC000011886503 179081176 /nfs/dbraw/zinc/08/11/76/179081176.db2.gz CAJJANKXGOJBCM-CQSZACIVSA-N 1 0 248.370 1.933 10 0 BDAERO CCC[C@@H](C)C(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669379260 537977865 /nfs/dbraw/zinc/97/78/65/537977865.db2.gz ASPIUKRUWBDNIO-LDYMZIIASA-N 1 0 236.306 1.911 10 0 BDAERO Cc1cccc(CNC(=O)[C@@](C)([NH3+])C2CC2)n1 ZINC000051576763 179087212 /nfs/dbraw/zinc/08/72/12/179087212.db2.gz UTRRNHNOMYBTNW-ZDUSSCGKSA-N 1 0 233.315 1.134 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000669379376 537979924 /nfs/dbraw/zinc/97/99/24/537979924.db2.gz ZIKQKVBRPNLEFX-IJLUTSLNSA-N 1 0 226.364 1.722 10 0 BDAERO Cc1cccc(CNC2=[NH+]C[C@H](C)S2)n1 ZINC000051577196 179088081 /nfs/dbraw/zinc/08/80/81/179088081.db2.gz ZPNKNVZSDVHPKN-VIFPVBQESA-N 1 0 221.329 1.971 10 0 BDAERO OC[C@@H]1CCCN([C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000725241609 537980307 /nfs/dbraw/zinc/98/03/07/537980307.db2.gz JGZIALWMCVGACL-MGPQQGTHSA-N 1 0 238.375 1.318 10 0 BDAERO Cc1cccc(CNC2=[NH+][C@H](C)CS2)n1 ZINC000051577203 179089006 /nfs/dbraw/zinc/08/90/06/179089006.db2.gz DTNNCFQFFCUGJF-SECBINFHSA-N 1 0 221.329 1.971 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)n1 ZINC000051575963 179098220 /nfs/dbraw/zinc/09/82/20/179098220.db2.gz UBAZWGNVESORPH-CHWSQXEVSA-N 1 0 220.316 1.783 10 0 BDAERO Nc1cccc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000148832996 346464133 /nfs/dbraw/zinc/46/41/33/346464133.db2.gz FJUIGBXIPOLDPN-SNVBAGLBSA-N 1 0 206.289 1.647 10 0 BDAERO CCC[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170882366 346470070 /nfs/dbraw/zinc/47/00/70/346470070.db2.gz QXEDMQZIVSZUTK-GHMZBOCLSA-N 1 0 212.337 1.585 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170882368 346470199 /nfs/dbraw/zinc/47/01/99/346470199.db2.gz QXEDMQZIVSZUTK-WDEREUQCSA-N 1 0 212.337 1.585 10 0 BDAERO Cc1cccc(CNc2cc[nH+]cc2N)n1 ZINC000051575226 179102930 /nfs/dbraw/zinc/10/29/30/179102930.db2.gz MCDJKRWDZFHABH-UHFFFAOYSA-N 1 0 214.272 1.979 10 0 BDAERO [NH3+][C@@H]1CCN(C2CC2)[C@@H]1c1nccs1 ZINC000161714079 346497340 /nfs/dbraw/zinc/49/73/40/346497340.db2.gz YWWKWNWVSYOBHC-BDAKNGLRSA-N 1 0 209.318 1.380 10 0 BDAERO CC(C)N1C(=[NH2+])NC[C@@H]1c1nccs1 ZINC000161836627 346500291 /nfs/dbraw/zinc/50/02/91/346500291.db2.gz QZUDUAKAMVYHTF-SSDOTTSWSA-N 1 0 210.306 1.223 10 0 BDAERO Cc1cccc(C[C@H]([NH3+])[C@@H]2CCOC2)c1 ZINC000052127178 179106295 /nfs/dbraw/zinc/10/62/95/179106295.db2.gz GBZICLGWQLIBSX-OLZOCXBDSA-N 1 0 205.301 1.901 10 0 BDAERO CCC(=O)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675055096 537981859 /nfs/dbraw/zinc/98/18/59/537981859.db2.gz NCUVUUNJMKDDMY-UHFFFAOYSA-N 1 0 210.321 1.530 10 0 BDAERO [NH3+]Cc1ccc(-c2ccncc2F)nc1F ZINC000725242436 537983150 /nfs/dbraw/zinc/98/31/50/537983150.db2.gz DZUXHQNFRBHIKR-UHFFFAOYSA-N 1 0 221.210 1.881 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105885295 346561959 /nfs/dbraw/zinc/56/19/59/346561959.db2.gz PUGNBXZQBXFPBQ-GFCCVEGCSA-N 1 0 222.336 1.627 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000300384450 346575680 /nfs/dbraw/zinc/57/56/80/346575680.db2.gz IYQMUBZBLKWVCN-UTLUCORTSA-N 1 0 230.377 1.385 10 0 BDAERO [NH3+]Cc1sc(=O)[nH]c1-c1ccccc1 ZINC000164281005 346598149 /nfs/dbraw/zinc/59/81/49/346598149.db2.gz VSEIVLPAHVMYHJ-UHFFFAOYSA-N 1 0 206.270 1.974 10 0 BDAERO [NH3+]C[C@H]1CCCN1c1nc(Cl)cs1 ZINC000165343882 346648389 /nfs/dbraw/zinc/64/83/89/346648389.db2.gz HEOJRHFYYMIIPR-ZCFIWIBFSA-N 1 0 217.725 1.724 10 0 BDAERO Cc1cc(C(=[NH2+])NO)cnc1Br ZINC000585672749 346652275 /nfs/dbraw/zinc/65/22/75/346652275.db2.gz YLAPIJAIWOYEPE-UHFFFAOYSA-N 1 0 230.065 1.457 10 0 BDAERO Cc1cccc(NC(=O)C[C@H](C)C[NH3+])c1 ZINC000076583692 179129561 /nfs/dbraw/zinc/12/95/61/179129561.db2.gz AIIFDUAZCPNGPN-JTQLQIEISA-N 1 0 206.289 1.918 10 0 BDAERO C[C@H]1CC[C@H](N2C(=O)c3ccccc3C2=O)C[NH2+]1 ZINC000164786037 346625451 /nfs/dbraw/zinc/62/54/51/346625451.db2.gz PXRDPOUVFRMJHW-UWVGGRQHSA-N 1 0 244.294 1.423 10 0 BDAERO Cn1ccnc1-c1cc(C[NH3+])ccc1N ZINC000669380061 537985628 /nfs/dbraw/zinc/98/56/28/537985628.db2.gz HEWWOJLBXQQYDF-UHFFFAOYSA-N 1 0 202.261 1.128 10 0 BDAERO Cc1cccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000094564314 179138602 /nfs/dbraw/zinc/13/86/02/179138602.db2.gz QNPKHXQCUCWYMY-NEPJUHHUSA-N 1 0 234.299 1.440 10 0 BDAERO C[C@@H]1CN(C/C(Cl)=C\Cl)C[C@H]1[NH3+] ZINC000307942383 346727936 /nfs/dbraw/zinc/72/79/36/346727936.db2.gz PISAOTZGNOATPK-HJYADYMVSA-N 1 0 209.120 1.584 10 0 BDAERO CC[C@H]1CC[C@@]2(C1)[NH2+]CCc1ncn(C)c12 ZINC000725242767 537985026 /nfs/dbraw/zinc/98/50/26/537985026.db2.gz RXXFNRQCHKXEBO-GWCFXTLKSA-N 1 0 219.332 1.971 10 0 BDAERO CCC[C@]1(C2CC2)[NH2+]CCc2ncn(C)c21 ZINC000725242563 537985177 /nfs/dbraw/zinc/98/51/77/537985177.db2.gz GIVRDXKZSMKVKD-CYBMUJFWSA-N 1 0 219.332 1.971 10 0 BDAERO CC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C[NH3+] ZINC000669380089 537985835 /nfs/dbraw/zinc/98/58/35/537985835.db2.gz IKFZILBCICFSNO-SRVKXCTJSA-N 1 0 210.321 1.372 10 0 BDAERO C[NH2+][C@@H](C)C(=O)Nc1cnccc1Cl ZINC000166727732 346687999 /nfs/dbraw/zinc/68/79/99/346687999.db2.gz HUOQEIVOITWCOO-LURJTMIESA-N 1 0 213.668 1.281 10 0 BDAERO COC(=O)c1ccc(C(=[NH2+])N(C)C)cc1 ZINC000200640154 346694612 /nfs/dbraw/zinc/69/46/12/346694612.db2.gz CESCMDSPRNJISY-UHFFFAOYSA-N 1 0 206.245 1.360 10 0 BDAERO COCC(C)(C)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242562 537986389 /nfs/dbraw/zinc/98/63/89/537986389.db2.gz GGPHTVUQKFXHKD-NSHDSACASA-N 1 0 223.320 1.280 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]CCC[S@](C)=O)C1 ZINC000126880033 133643072 /nfs/dbraw/zinc/64/30/72/133643072.db2.gz RXGSPPYXLOHKCO-UHIISALHSA-N 1 0 217.378 1.923 10 0 BDAERO Cc1nc(C[NH3+])sc1-c1cnccn1 ZINC000669380269 537986571 /nfs/dbraw/zinc/98/65/71/537986571.db2.gz KRKOWWPDEAOKCA-UHFFFAOYSA-N 1 0 206.274 1.367 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)C1CCCCC1 ZINC000390602615 259394360 /nfs/dbraw/zinc/39/43/60/259394360.db2.gz BPSBIAQTPVURSV-GXSJLCMTSA-N 1 0 226.320 1.653 10 0 BDAERO Cc1cccc(OC[C@H]2CC[C@H](C[NH3+])O2)c1 ZINC000052666882 179172344 /nfs/dbraw/zinc/17/23/44/179172344.db2.gz LRVIMRGBIROCLF-CHWSQXEVSA-N 1 0 221.300 1.880 10 0 BDAERO Cc1cccc(O[C@@H]2CC[NH2+]C[C@H]2O)c1C ZINC000028705289 179174952 /nfs/dbraw/zinc/17/49/52/179174952.db2.gz ZHFIAFNZGWCLHU-DGCLKSJQSA-N 1 0 221.300 1.405 10 0 in-man BDAERO Cc1cccc(O[C@H]2COCC[C@H]2[NH3+])c1 ZINC000036305802 179175602 /nfs/dbraw/zinc/17/56/02/179175602.db2.gz FTTFWXDHIOOEAG-NEPJUHHUSA-N 1 0 207.273 1.490 10 0 BDAERO c1ncn(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000382115474 347191664 /nfs/dbraw/zinc/19/16/64/347191664.db2.gz FMGJSNXXZWXPAR-AXFHLTTASA-N 1 0 206.293 1.056 10 0 BDAERO CC(C)[C@@H](C)c1nc([C@H]2CC[NH2+]C2)no1 ZINC000669380253 537987801 /nfs/dbraw/zinc/98/78/01/537987801.db2.gz KOOYMNUWVOXJLR-BDAKNGLRSA-N 1 0 209.293 1.906 10 0 BDAERO [NH3+]CC1CCN(c2cccc3c2OCC3)CC1 ZINC000039187135 347183850 /nfs/dbraw/zinc/18/38/50/347183850.db2.gz VNNMNJNIUXMGPP-UHFFFAOYSA-N 1 0 232.327 1.797 10 0 BDAERO Cc1cccc([C@@H]2C[NH2+]C[C@H](C(N)=O)C2)c1 ZINC000082162779 179190426 /nfs/dbraw/zinc/19/04/26/179190426.db2.gz FCJHMTOYZOCSHP-NWDGAFQWSA-N 1 0 218.300 1.173 10 0 BDAERO O[C@H]1C[NH2+]CC[C@@]1(F)c1ccc(Cl)cc1 ZINC000059716012 347229764 /nfs/dbraw/zinc/22/97/64/347229764.db2.gz QXQMFLLHKJZHDX-WDEREUQCSA-N 1 0 229.682 1.859 10 0 BDAERO CN(CC[NH2+]C[C@@H](O)C(C)(C)C)C1CCCC1 ZINC000380215443 347236220 /nfs/dbraw/zinc/23/62/20/347236220.db2.gz JQMYXCGPVDSGKN-CYBMUJFWSA-N 1 0 242.407 1.857 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000310525622 347292185 /nfs/dbraw/zinc/29/21/85/347292185.db2.gz XVHHUEYUFOJTPA-NWDGAFQWSA-N 1 0 245.363 1.009 10 0 BDAERO COC[C@@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)C1 ZINC000250480569 362806258 /nfs/dbraw/zinc/80/62/58/362806258.db2.gz WBSLGHGSJJXIAN-MNOVXSKESA-N 1 0 211.305 1.466 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N2CC[C@H](O)C2)c1 ZINC000061709790 179198972 /nfs/dbraw/zinc/19/89/72/179198972.db2.gz JDFNEKQZGBFYFL-STQMWFEESA-N 1 0 220.316 1.061 10 0 BDAERO Cc1cccc([C@H]([NH3+])[C@H]2CCS(=O)(=O)C2)c1 ZINC000043299951 179200265 /nfs/dbraw/zinc/20/02/65/179200265.db2.gz MEJUTHXORXFFJQ-RYUDHWBXSA-N 1 0 239.340 1.430 10 0 BDAERO Cc1cccc2c1[C@@]1(CC[NH2+]C1)C(=O)N2 ZINC000299890228 179224049 /nfs/dbraw/zinc/22/40/49/179224049.db2.gz WDZZCPKGTSEQJC-LBPRGKRZSA-N 1 0 202.257 1.178 10 0 BDAERO Cc1cccc2c1[S@@](=O)CCC[C@@H]2[NH3+] ZINC000040977675 179225463 /nfs/dbraw/zinc/22/54/63/179225463.db2.gz KBOZLKPYMGDABD-IINYFYTJSA-N 1 0 209.314 1.896 10 0 BDAERO CN(CC[NH+]1CCCC1)c1cccc(N)c1 ZINC000063051622 347370354 /nfs/dbraw/zinc/37/03/54/347370354.db2.gz GISMVSSWCSZAFY-UHFFFAOYSA-N 1 0 219.332 1.801 10 0 BDAERO c1cnc(OC2C[NH2+]C2)c(C2CCOCC2)c1 ZINC000146305676 347390830 /nfs/dbraw/zinc/39/08/30/347390830.db2.gz DOZPJWXKJACDMM-UHFFFAOYSA-N 1 0 234.299 1.326 10 0 BDAERO Cc1cccc2c1OCCC[C@@H]2NCC[NH3+] ZINC000037713006 179221443 /nfs/dbraw/zinc/22/14/43/179221443.db2.gz WLZIFIMHPDTAEA-LBPRGKRZSA-N 1 0 220.316 1.757 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)(C)C ZINC000616568621 347449992 /nfs/dbraw/zinc/44/99/92/347449992.db2.gz CDEFBOAVQSWXMI-UWVGGRQHSA-N 1 0 212.337 1.537 10 0 BDAERO [NH3+]C[C@H](n1ccnc1)C(F)(F)C(F)(F)F ZINC000616568671 347450089 /nfs/dbraw/zinc/45/00/89/347450089.db2.gz DKSOGNXLGMBKQO-YFKPBYRVSA-N 1 0 229.152 1.581 10 0 BDAERO CO[C@H]1C[C@@H](C[NH2+]Cc2cnn(C)c2C)C1 ZINC000623823302 347452305 /nfs/dbraw/zinc/45/23/05/347452305.db2.gz VPAQVHDBNCHOHB-KLPPZKSPSA-N 1 0 223.320 1.243 10 0 BDAERO [NH3+]C[C@H]1CCCCN1[C@H]1CCSC1 ZINC000250939347 362827995 /nfs/dbraw/zinc/82/79/95/362827995.db2.gz ZAGFSBOLXLAJOV-ZJUUUORDSA-N 1 0 200.351 1.305 10 0 BDAERO C[C@@](CC[NH3+])(NC(=O)CC1CC1)C(F)F ZINC000669380413 537990443 /nfs/dbraw/zinc/99/04/43/537990443.db2.gz MDPNGNCKEVQRNT-JTQLQIEISA-N 1 0 220.263 1.275 10 0 BDAERO C[C@H](CCC[NH3+])Nc1ncnc2c1CCC2 ZINC000087362236 365882255 /nfs/dbraw/zinc/88/22/55/365882255.db2.gz RONUIYXNVAACOV-SECBINFHSA-N 1 0 220.320 1.505 10 0 BDAERO CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569130 347575811 /nfs/dbraw/zinc/57/58/11/347575811.db2.gz GOKMGCQXOHNOKI-QWHCGFSZSA-N 1 0 232.327 1.658 10 0 BDAERO CC(C)c1cc2nc(C3C[NH2+]C3)nn2c(O)c1 ZINC000725243212 537991383 /nfs/dbraw/zinc/99/13/83/537991383.db2.gz QCMDSDGZLICOML-UHFFFAOYSA-N 1 0 232.287 1.245 10 0 BDAERO CC(C)[S@@](=N)(=O)C1CC[NH+](C)CC1 ZINC000616569460 347699122 /nfs/dbraw/zinc/69/91/22/347699122.db2.gz UPGJYKPNYVAVBF-CYBMUJFWSA-N 1 0 204.339 1.536 10 0 BDAERO Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1O ZINC000037856322 179283072 /nfs/dbraw/zinc/28/30/72/179283072.db2.gz ZNRLBYDNEPMPLH-OLZOCXBDSA-N 1 0 205.301 1.998 10 0 BDAERO Cc1cccc([C@H](C(CO)CO)[NH+](C)C)c1 ZINC000196151590 347810839 /nfs/dbraw/zinc/81/08/39/347810839.db2.gz NLGGMWRBBKNGMV-CYBMUJFWSA-N 1 0 223.316 1.199 10 0 BDAERO Cc1ccccc1Cc1nccc(CC[NH3+])n1 ZINC000054833561 179293096 /nfs/dbraw/zinc/29/30/96/179293096.db2.gz MKAGDPGTUDAIQA-UHFFFAOYSA-N 1 0 227.311 1.877 10 0 BDAERO CN(C)[C@H]1CCC[N@H+](CC[C@H]2CCC2=O)C1 ZINC000669381574 537994969 /nfs/dbraw/zinc/99/49/69/537994969.db2.gz OLAFKFORSATRBC-NEPJUHHUSA-N 1 0 224.348 1.382 10 0 BDAERO Cc1cnc(N[C@H](C[NH3+])CC(C)C)nc1 ZINC000082593033 347954986 /nfs/dbraw/zinc/95/49/86/347954986.db2.gz ZRCYNASYMLZOLN-JTQLQIEISA-N 1 0 208.309 1.570 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])Cn1ccnc1 ZINC000023069748 179324502 /nfs/dbraw/zinc/32/45/02/179324502.db2.gz JQSJKFJXMGWABY-LBPRGKRZSA-N 1 0 201.273 1.892 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])CS(C)(=O)=O ZINC000052788800 179325240 /nfs/dbraw/zinc/32/52/40/179325240.db2.gz JQHOAEXCKJLIFJ-JTQLQIEISA-N 1 0 213.302 1.039 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127403188 179330419 /nfs/dbraw/zinc/33/04/19/179330419.db2.gz TUEDNICRPCRHNR-XBFCOCLRSA-N 1 0 244.338 1.577 10 0 BDAERO C=CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037012488 348010634 /nfs/dbraw/zinc/01/06/34/348010634.db2.gz HPULJRJUIPHPNR-UHFFFAOYSA-N 1 0 204.273 1.873 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000178680362 179331287 /nfs/dbraw/zinc/33/12/87/179331287.db2.gz YXYCRXOSRFWAQW-KWCYVHTRSA-N 1 0 246.354 1.952 10 0 BDAERO COc1ccc2c(c1)OC[C@@H]1[NH2+]CCC=C21 ZINC000196741117 348018399 /nfs/dbraw/zinc/01/83/99/348018399.db2.gz PBSAIVGTSZXFEZ-LBPRGKRZSA-N 1 0 217.268 1.833 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])n1cccn1 ZINC000043037651 179341832 /nfs/dbraw/zinc/34/18/32/179341832.db2.gz DEFIMRKWXYOUCV-LBPRGKRZSA-N 1 0 201.273 1.740 10 0 BDAERO Cc1cccnc1-c1nnc(C[NH2+]C(C)C)o1 ZINC000051813799 179356523 /nfs/dbraw/zinc/35/65/23/179356523.db2.gz LRBZMNDNJYIOMJ-UHFFFAOYSA-N 1 0 232.287 1.938 10 0 BDAERO Cc1ccccc1[C@](C)(CO)[NH2+]C1CC1 ZINC000038124109 179350597 /nfs/dbraw/zinc/35/05/97/179350597.db2.gz UQTUUQZOXDRSLB-ZDUSSCGKSA-N 1 0 205.301 1.955 10 0 BDAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000151910324 179351136 /nfs/dbraw/zinc/35/11/36/179351136.db2.gz UMLDVCWVMJKQHW-CHWSQXEVSA-N 1 0 246.354 1.952 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)C[C@@H](C)OC ZINC000304531642 187388314 /nfs/dbraw/zinc/38/83/14/187388314.db2.gz BTUVKBYWHURXEO-VXGBXAGGSA-N 1 0 233.352 1.131 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@H]1[NH2+]CCC[C@@H]1F ZINC000725244936 537999963 /nfs/dbraw/zinc/99/99/63/537999963.db2.gz BUJUCNKLBVLRPO-IUCAKERBSA-N 1 0 232.299 1.601 10 0 BDAERO C(CN1CC[N@@H+]2CCCC[C@H]2C1)OC1CCC1 ZINC000376537689 187389442 /nfs/dbraw/zinc/38/94/42/187389442.db2.gz YNOYMRJQLKOZOJ-ZDUSSCGKSA-N 1 0 238.375 1.726 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCOCC2CCC2)C1 ZINC000419290330 192117705 /nfs/dbraw/zinc/11/77/05/192117705.db2.gz VLGFXUUNBIHICT-DGCLKSJQSA-N 1 0 227.348 1.506 10 0 BDAERO Cc1cccnc1OC[C@H]1CCCC[NH2+]1 ZINC000051883518 179394973 /nfs/dbraw/zinc/39/49/73/179394973.db2.gz UTTKZQJOJUNWFE-LLVKDONJSA-N 1 0 206.289 1.911 10 0 BDAERO Cc1cccnc1[C@H]([NH3+])c1cnn(C)c1 ZINC000043618834 179396828 /nfs/dbraw/zinc/39/68/28/179396828.db2.gz WECSPJKWLGHKQX-SNVBAGLBSA-N 1 0 202.261 1.172 10 0 BDAERO Cc1ccn(-c2ccccc2NC(=O)[C@H](C)[NH3+])n1 ZINC000119876817 179398932 /nfs/dbraw/zinc/39/89/32/179398932.db2.gz ODZDJDDSRLBEST-JTQLQIEISA-N 1 0 244.298 1.466 10 0 BDAERO CC(C)COC[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339518033 187394302 /nfs/dbraw/zinc/39/43/02/187394302.db2.gz YNKLNHXPFAHSEA-LBPRGKRZSA-N 1 0 229.364 1.798 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2CCCC2=O)CCCO1 ZINC000251737904 362901655 /nfs/dbraw/zinc/90/16/55/362901655.db2.gz KQYNMLJHCCFDBY-GHMZBOCLSA-N 1 0 211.305 1.466 10 0 BDAERO CC(C)(C)OC(=O)C1(C(=[NH2+])NO)CCC1 ZINC000390822230 187395491 /nfs/dbraw/zinc/39/54/91/187395491.db2.gz XKVOJQDRCONDFQ-UHFFFAOYSA-N 1 0 214.265 1.454 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC1(SCC)CC1 ZINC000595942308 348410021 /nfs/dbraw/zinc/41/00/21/348410021.db2.gz CRKBICUCJIJDOW-SECBINFHSA-N 1 0 230.377 1.516 10 0 BDAERO CCSC1(CNC(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000595947305 348411652 /nfs/dbraw/zinc/41/16/52/348411652.db2.gz ZQLYGMYIPIFTKE-NXEZZACHSA-N 1 0 244.404 1.762 10 0 BDAERO COCC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000082725353 348546333 /nfs/dbraw/zinc/54/63/33/348546333.db2.gz XGRMRTGPANJVRV-NWDGAFQWSA-N 1 0 212.337 1.191 10 0 BDAERO Cn1c(CC[NH3+])nc2cccc(Cl)c21 ZINC000037443477 348593358 /nfs/dbraw/zinc/59/33/58/348593358.db2.gz XXKARWFUPICIHB-UHFFFAOYSA-N 1 0 209.680 1.728 10 0 BDAERO COC(=O)C(C)(C)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597039886 348647900 /nfs/dbraw/zinc/64/79/00/348647900.db2.gz ZKYZYNLRXNPYHD-QWRGUYRKSA-N 1 0 241.331 1.343 10 0 BDAERO CSC[C@](C)(O)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000597057614 348653995 /nfs/dbraw/zinc/65/39/95/348653995.db2.gz NSVCVIRPCBWMDJ-IJLUTSLNSA-N 1 0 245.388 1.258 10 0 BDAERO COc1ccc(OC)c2c1NC[C@@]21C[C@H]1[NH3+] ZINC000725247483 538013536 /nfs/dbraw/zinc/01/35/36/538013536.db2.gz OFKMSOPHRVQJRO-BXKDBHETSA-N 1 0 220.272 1.098 10 0 BDAERO CCN(Cc1ccccc1C)C(=O)[C@@H](C)[NH2+]C ZINC000054072522 348888327 /nfs/dbraw/zinc/88/83/27/348888327.db2.gz WFVGYJNGABJMHA-GFCCVEGCSA-N 1 0 234.343 1.951 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000054074590 348890241 /nfs/dbraw/zinc/89/02/41/348890241.db2.gz FIUCOUJHUZFRRC-NWDGAFQWSA-N 1 0 234.343 1.650 10 0 BDAERO C[C@@H](C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000669384796 538018336 /nfs/dbraw/zinc/01/83/36/538018336.db2.gz GPZFOAUHTMXWPL-AXFHLTTASA-N 1 0 226.364 1.912 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1cccnc1 ZINC000054307512 348973984 /nfs/dbraw/zinc/97/39/84/348973984.db2.gz JGPIEJLSTYDASQ-CYBMUJFWSA-N 1 0 247.342 1.130 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccccc1 ZINC000054290110 348961518 /nfs/dbraw/zinc/96/15/18/348961518.db2.gz PQOSGNQKFZKUQC-ZDUSSCGKSA-N 1 0 232.327 1.693 10 0 BDAERO Cc1cncc(C[N@H+]2C[C@H](O)CC[C@@H]2C)c1 ZINC000399297766 323203322 /nfs/dbraw/zinc/20/33/22/323203322.db2.gz VXECBWQIKCVKFB-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO C=CC(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036260783 187422095 /nfs/dbraw/zinc/42/20/95/187422095.db2.gz NBJBDCVBTPJOOQ-NSHDSACASA-N 1 0 222.332 1.744 10 0 BDAERO CC(C)([NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000040924911 187428137 /nfs/dbraw/zinc/42/81/37/187428137.db2.gz PMRHVTHPQGMYOA-UHFFFAOYSA-N 1 0 238.356 1.590 10 0 BDAERO COc1ccc(C[C@](C)(C[NH3+])CO)cc1OC ZINC000011978933 187414623 /nfs/dbraw/zinc/41/46/23/187414623.db2.gz CZSHFLJAGFHGFX-CYBMUJFWSA-N 1 0 239.315 1.204 10 0 BDAERO C[C@H]1C[NH2+]CCN1Cc1nc2ccccc2o1 ZINC000054372897 349032179 /nfs/dbraw/zinc/03/21/79/349032179.db2.gz RKSOSQPAOFHGPT-JTQLQIEISA-N 1 0 231.299 1.622 10 0 BDAERO CCC(=O)N1CC[C@@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616573257 349068917 /nfs/dbraw/zinc/06/89/17/349068917.db2.gz ZLWAWOFWAKWLJH-QWRGUYRKSA-N 1 0 212.337 1.618 10 0 BDAERO OC[C@@]1(c2ccc(F)cc2Cl)CC[NH2+]C1 ZINC000616574597 349080405 /nfs/dbraw/zinc/08/04/05/349080405.db2.gz UBZRMISHDQJASA-LLVKDONJSA-N 1 0 229.682 1.703 10 0 BDAERO COC[C@H](C)C[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000246164390 349094653 /nfs/dbraw/zinc/09/46/53/349094653.db2.gz DPYOCDNTDIEKOG-JHJVBQTASA-N 1 0 228.380 1.587 10 0 BDAERO C1CC12[C@H]([NH2+]C1CCC1)C1CCN2CC1 ZINC000616576847 349097370 /nfs/dbraw/zinc/09/73/70/349097370.db2.gz FXGKXEXVIBMRKQ-GFCCVEGCSA-N 1 0 206.333 1.755 10 0 BDAERO Cc1ncc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)o1 ZINC000397909811 362937757 /nfs/dbraw/zinc/93/77/57/362937757.db2.gz CLOHVWGDCDAQKE-CMPLNLGQSA-N 1 0 235.331 1.652 10 0 BDAERO CC[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1[NH3+] ZINC000616571688 349059689 /nfs/dbraw/zinc/05/96/89/349059689.db2.gz QYNLSEYJQPWMMS-ZIAGYGMSSA-N 1 0 246.354 1.815 10 0 BDAERO CC(=O)Nc1cccc(NC[C@@H]2CCC[NH2+]2)c1 ZINC000041261145 187429354 /nfs/dbraw/zinc/42/93/54/187429354.db2.gz YGWCWJXSCIFZIU-ZDUSSCGKSA-N 1 0 233.315 1.809 10 0 BDAERO C/C=C\C(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616572019 349064896 /nfs/dbraw/zinc/06/48/96/349064896.db2.gz SMUFTFNSTWQOIY-XLMCQVRKSA-N 1 0 224.348 1.703 10 0 BDAERO Cc1cc(C(F)F)nc(CN2CC[NH2+]CC2)n1 ZINC000616577817 349120168 /nfs/dbraw/zinc/12/01/68/349120168.db2.gz MQTVFEDJUQBIKX-UHFFFAOYSA-N 1 0 242.273 1.128 10 0 BDAERO COC(=O)CCCC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000599340982 349151966 /nfs/dbraw/zinc/15/19/66/349151966.db2.gz HWXUGSAQETVRAF-GHMZBOCLSA-N 1 0 211.305 1.814 10 0 BDAERO COC(=O)CCCC[N@@H+]1CC[C@H](CCO)C1 ZINC000599299941 349141132 /nfs/dbraw/zinc/14/11/32/349141132.db2.gz QKNGMTBQVYBTFW-LLVKDONJSA-N 1 0 229.320 1.034 10 0 BDAERO COC(=O)CCCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000599425999 349184526 /nfs/dbraw/zinc/18/45/26/349184526.db2.gz TVEGUHNIBXUJNX-NXEZZACHSA-N 1 0 215.293 1.097 10 0 BDAERO Cc1csc(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC000053711644 179784585 /nfs/dbraw/zinc/78/45/85/179784585.db2.gz VVXFBVLEDPZEDP-OCAPTIKFSA-N 1 0 211.334 1.638 10 0 BDAERO CC[C@H](CC[NH3+])NC(=O)Cc1ccc(C)cc1 ZINC000054161870 187437101 /nfs/dbraw/zinc/43/71/01/187437101.db2.gz XJCLQBHZNSMYRU-CYBMUJFWSA-N 1 0 234.343 1.781 10 0 BDAERO [NH3+]CCCCCC(=NO)c1cccnc1 ZINC000396678128 349423108 /nfs/dbraw/zinc/42/31/08/349423108.db2.gz ALMIUERKHARDGM-UHFFFAOYSA-N 1 0 207.277 1.779 10 0 BDAERO COc1cc(Cl)c([C@H](O)C[NH3+])cc1OC ZINC000216641329 350007751 /nfs/dbraw/zinc/00/77/51/350007751.db2.gz NLLHOEXIWYVDKX-MRVPVSSYSA-N 1 0 231.679 1.349 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2cnc(C)o2)c1 ZINC000397916974 362948225 /nfs/dbraw/zinc/94/82/25/362948225.db2.gz KYSYOOGVPHOKMW-UHFFFAOYSA-N 1 0 220.276 1.278 10 0 BDAERO COc1cc(Br)ccc1[C@@H]([NH3+])CO ZINC000072199021 191004305 /nfs/dbraw/zinc/00/43/05/191004305.db2.gz IORLMMQRQVGMDV-QMMMGPOBSA-N 1 0 246.104 1.450 10 0 BDAERO Cc1c(N)ccc([C@H]([NH3+])CO)c1Cl ZINC000072197884 191004945 /nfs/dbraw/zinc/00/49/45/191004945.db2.gz RKZPPHAEHDKZJQ-MRVPVSSYSA-N 1 0 200.669 1.223 10 0 BDAERO [NH3+]C[C@H]1COc2c(ccc3ccccc32)O1 ZINC000144246830 350040733 /nfs/dbraw/zinc/04/07/33/350040733.db2.gz PIMFDPOFTJGGFG-JTQLQIEISA-N 1 0 215.252 1.938 10 0 BDAERO CC(C)(C)OC(=O)N1CC([NH3+])([C@@H]2CCCO2)C1 ZINC000725254990 538050070 /nfs/dbraw/zinc/05/00/70/538050070.db2.gz MPACYNPJVLNAEY-VIFPVBQESA-N 1 0 242.319 1.114 10 0 BDAERO CC[C@](C)(C[NH3+])[C@@]1(O)CCO[C@@H](C)C1 ZINC000218954385 350108992 /nfs/dbraw/zinc/10/89/92/350108992.db2.gz KNRPUTWKJPMPEA-HBNTYKKESA-N 1 0 201.310 1.291 10 0 BDAERO Cc1nc(N2CCO[C@H](C)C2)sc1C[NH3+] ZINC000054995681 180002271 /nfs/dbraw/zinc/00/22/71/180002271.db2.gz RMMUYDKYLHRYFQ-SSDOTTSWSA-N 1 0 227.333 1.135 10 0 BDAERO C[C@H](C[NH3+])[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000218376516 350091097 /nfs/dbraw/zinc/09/10/97/350091097.db2.gz QTWZUBRHFDMTIK-OPRDCNLKSA-N 1 0 219.350 1.185 10 0 BDAERO CO[C@@H](C[C@@H]([NH3+])c1ncccn1)C1CC1 ZINC000725255365 538051873 /nfs/dbraw/zinc/05/18/73/538051873.db2.gz ZYNONWJJPRZQCA-ZJUUUORDSA-N 1 0 207.277 1.292 10 0 BDAERO CO[C@@H](C[C@H]([NH3+])c1ncccn1)C1CC1 ZINC000725255363 538052197 /nfs/dbraw/zinc/05/21/97/538052197.db2.gz ZYNONWJJPRZQCA-UWVGGRQHSA-N 1 0 207.277 1.292 10 0 BDAERO COC(=O)[C@@H](N)Cc1cc(Cl)ccc1OC ZINC000057534382 350129494 /nfs/dbraw/zinc/12/94/94/350129494.db2.gz PJJRGGMYDAYQAQ-VIFPVBQESA-N 1 0 243.690 1.391 10 0 BDAERO Cc1nc2c(Br)cccn2c1C[NH3+] ZINC000036244320 180059476 /nfs/dbraw/zinc/05/94/76/180059476.db2.gz PFCAIFZYHTWLQL-UHFFFAOYSA-N 1 0 240.104 1.864 10 0 BDAERO Cc1nc2cc(NCC[NH3+])c(N)cc2s1 ZINC000052815335 180083823 /nfs/dbraw/zinc/08/38/23/180083823.db2.gz HPIIGWXHLTVPSC-UHFFFAOYSA-N 1 0 222.317 1.558 10 0 BDAERO Cc1nc2cccnc2n1C[C@@H]1CCC[NH2+]C1 ZINC000082656655 180107958 /nfs/dbraw/zinc/10/79/58/180107958.db2.gz QQUDULHBKNKUQZ-LLVKDONJSA-N 1 0 230.315 1.739 10 0 BDAERO [NH3+][C@H]1CCCN(C(=O)N2CCCCC2)C1 ZINC000085962580 490347189 /nfs/dbraw/zinc/34/71/89/490347189.db2.gz NUNJNTLGOOWYNP-JTQLQIEISA-N 1 0 211.309 1.015 10 0 BDAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1C[C@H]1C ZINC000336748270 180111491 /nfs/dbraw/zinc/11/14/91/180111491.db2.gz SOWLERAHLDEPJQ-MIMYLULJSA-N 1 0 220.320 1.667 10 0 BDAERO Cc1nc2cccc(Cl)n2c1CC[NH3+] ZINC000074374825 180100553 /nfs/dbraw/zinc/10/05/53/180100553.db2.gz WVTFUKSYRYCADW-UHFFFAOYSA-N 1 0 209.680 1.797 10 0 BDAERO Cc1nc2ccccc2n(C[C@H](C)[NH3+])c1=O ZINC000052099125 180101728 /nfs/dbraw/zinc/10/17/28/180101728.db2.gz RLOCQDBVEVEHHU-QMMMGPOBSA-N 1 0 217.272 1.052 10 0 BDAERO Cc1nc2ccccc2n1CCC(N)=[NH2+] ZINC000019436702 180104388 /nfs/dbraw/zinc/10/43/88/180104388.db2.gz LVOLOSSOJYDJNI-UHFFFAOYSA-N 1 0 202.261 1.671 10 0 BDAERO Cc1ncccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000170982657 180209785 /nfs/dbraw/zinc/20/97/85/180209785.db2.gz UVKYULHZUWNJDY-LBPRGKRZSA-N 1 0 245.326 1.310 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1ccncc1Br ZINC000216547370 350225776 /nfs/dbraw/zinc/22/57/76/350225776.db2.gz IHVQYQXEVZACMA-SVGQVSJJSA-N 1 0 231.093 1.225 10 0 BDAERO Clc1cc(Cl)c2cnn(C3C[NH2+]C3)c2n1 ZINC000725258837 538078182 /nfs/dbraw/zinc/07/81/82/538078182.db2.gz FWXSPYABVVZERD-UHFFFAOYSA-N 1 0 243.097 1.882 10 0 BDAERO Cc1nccn1CCOc1ccc(C[NH3+])cc1 ZINC000037050486 180262996 /nfs/dbraw/zinc/26/29/96/180262996.db2.gz QZWSVJMRBACCKN-UHFFFAOYSA-N 1 0 231.299 1.729 10 0 BDAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCO ZINC000178292859 180266322 /nfs/dbraw/zinc/26/63/22/180266322.db2.gz QIAQGWBYKRMFHM-LBPRGKRZSA-N 1 0 223.320 1.038 10 0 BDAERO Cc1nccn1[C@H](c1ccco1)[C@H](C)[NH3+] ZINC000043336366 180271363 /nfs/dbraw/zinc/27/13/63/180271363.db2.gz GRPRWSTZIAZRHT-KWQFWETISA-N 1 0 205.261 1.721 10 0 BDAERO COC1(OC)CCC(F)(F)C[C@@H]1CC[NH3+] ZINC000725261911 538087814 /nfs/dbraw/zinc/08/78/14/538087814.db2.gz NCWGHVHIZAMZPE-QMMMGPOBSA-N 1 0 223.263 1.760 10 0 BDAERO COC1(OC)CCC(F)(F)C[C@H]1CC[NH3+] ZINC000725261910 538087820 /nfs/dbraw/zinc/08/78/20/538087820.db2.gz NCWGHVHIZAMZPE-MRVPVSSYSA-N 1 0 223.263 1.760 10 0 BDAERO Cc1ncnc(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000054855057 180291726 /nfs/dbraw/zinc/29/17/26/180291726.db2.gz ROUYNRHOQGEVBF-MRVPVSSYSA-N 1 0 205.305 1.949 10 0 BDAERO C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC000725262038 538088085 /nfs/dbraw/zinc/08/80/85/538088085.db2.gz SJWXYVYEPBQNTO-VHSXEESVSA-N 1 0 246.326 1.943 10 0 BDAERO COC1(OC)CC[C@@H](CCO)C[C@@H]1CC[NH3+] ZINC000725261890 538088095 /nfs/dbraw/zinc/08/80/95/538088095.db2.gz MCDQJVZYFVJYBT-QWRGUYRKSA-N 1 0 231.336 1.123 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000324291320 350291077 /nfs/dbraw/zinc/29/10/77/350291077.db2.gz ANFLVCDUTBNVJB-GHMZBOCLSA-N 1 0 229.364 1.941 10 0 BDAERO Cc1ncn(Cc2cc(C[NH3+])oc2C)c1C ZINC000052593590 180287478 /nfs/dbraw/zinc/28/74/78/180287478.db2.gz VBCTYZIUOWLBGI-UHFFFAOYSA-N 1 0 219.288 1.908 10 0 BDAERO Cc1ncoc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000096896388 180296697 /nfs/dbraw/zinc/29/66/97/180296697.db2.gz UGXAPLKNKUSKGK-VIFPVBQESA-N 1 0 248.286 1.575 10 0 BDAERO [NH3+][C@H]1CCCC12CCN(C(=O)CC1CC1)CC2 ZINC000725264016 538090654 /nfs/dbraw/zinc/09/06/54/538090654.db2.gz FSFANRWGEQZTCW-LBPRGKRZSA-N 1 0 236.359 1.907 10 0 BDAERO CC[C@]1(NC(=O)N[C@H](C)C(C)C)CCC[NH2+]C1 ZINC000725264114 538090713 /nfs/dbraw/zinc/09/07/13/538090713.db2.gz KDUORDBPQDYEIM-YPMHNXCESA-N 1 0 241.379 1.862 10 0 BDAERO C[C@H]1CN(CC(C)(C)C[NH3+])[C@@H](C)CO1 ZINC000225238592 350355085 /nfs/dbraw/zinc/35/50/85/350355085.db2.gz AJBBGKDSFRPANV-UWVGGRQHSA-N 1 0 200.326 1.081 10 0 BDAERO O[C@@]1(C(F)(F)Br)CCC[NH2+]C1 ZINC000225640255 350368885 /nfs/dbraw/zinc/36/88/85/350368885.db2.gz IJQQSWTYWXHDNP-YFKPBYRVSA-N 1 0 230.052 1.089 10 0 BDAERO Cc1ncsc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865948 180304133 /nfs/dbraw/zinc/30/41/33/180304133.db2.gz OVPWRIQHDDIFSU-SECBINFHSA-N 1 0 239.344 1.228 10 0 BDAERO Cc1ncsc1CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000052015342 180310629 /nfs/dbraw/zinc/31/06/29/180310629.db2.gz ZZHHONOPKXDCHA-GHMZBOCLSA-N 1 0 240.372 1.887 10 0 BDAERO CC[C@]1(NC(=O)N[C@@H](C)C(C)C)CCC[NH2+]C1 ZINC000725264108 538090859 /nfs/dbraw/zinc/09/08/59/538090859.db2.gz KDUORDBPQDYEIM-AAEUAGOBSA-N 1 0 241.379 1.862 10 0 BDAERO Cc1nn(C)c(C)c1CN[C@H](C)CC[NH+](C)C ZINC000049553566 180341818 /nfs/dbraw/zinc/34/18/18/180341818.db2.gz DERLIXGILWFWLR-SNVBAGLBSA-N 1 0 238.379 1.467 10 0 BDAERO Cc1nn(C)c(N(C)C)c1C[NH2+]C(C)C ZINC000034824246 180350928 /nfs/dbraw/zinc/35/09/28/180350928.db2.gz OXQDZAXKBWSVML-UHFFFAOYSA-N 1 0 210.325 1.293 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000162719517 180352185 /nfs/dbraw/zinc/35/21/85/180352185.db2.gz BMRCTXUDCLTFOY-PSASIEDQSA-N 1 0 243.738 1.649 10 0 BDAERO Cc1nn(C)c(C)c1C[N@@H+]1CCS[C@@H](C)C1 ZINC000171686731 180336982 /nfs/dbraw/zinc/33/69/82/180336982.db2.gz QIWUYNGLRWSANG-VIFPVBQESA-N 1 0 239.388 1.974 10 0 BDAERO C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H](O)C1 ZINC000409422142 350474440 /nfs/dbraw/zinc/47/44/40/350474440.db2.gz BIBDXFAWHNINPY-AAEUAGOBSA-N 1 0 205.301 1.684 10 0 BDAERO NC(=[NH2+])c1cn(CCF)nc1C(F)(F)F ZINC000409440909 350482578 /nfs/dbraw/zinc/48/25/78/350482578.db2.gz VPBMXRMXGYPDHV-UHFFFAOYSA-N 1 0 224.161 1.155 10 0 BDAERO Nc1cccc(-c2cnnn2C2CC[NH2+]CC2)c1 ZINC000725266071 538093904 /nfs/dbraw/zinc/09/39/04/538093904.db2.gz JJKITOWAPBPICG-UHFFFAOYSA-N 1 0 243.314 1.452 10 0 BDAERO Cc1nn(CC2=[NH+]CCN2)c2ccccc12 ZINC000073200153 180385911 /nfs/dbraw/zinc/38/59/11/180385911.db2.gz KRDIXANHVXUVCW-UHFFFAOYSA-N 1 0 214.272 1.346 10 0 BDAERO Cc1nn(CCC(N)=[NH2+])c2ccccc12 ZINC000073635901 180386513 /nfs/dbraw/zinc/38/65/13/180386513.db2.gz JFFRNPHSNMVRAW-UHFFFAOYSA-N 1 0 202.261 1.671 10 0 BDAERO Cc1coc(-c2cnnn2C2CC[NH2+]CC2)n1 ZINC000725266118 538094346 /nfs/dbraw/zinc/09/43/46/538094346.db2.gz OCFYTOIGPODPBZ-UHFFFAOYSA-N 1 0 233.275 1.166 10 0 BDAERO Cc1nn(C[C@@H]2CCC[NH2+]2)c(C)c1Cl ZINC000050586785 180390829 /nfs/dbraw/zinc/39/08/29/180390829.db2.gz QHJVRBALRBERKD-VIFPVBQESA-N 1 0 213.712 1.905 10 0 BDAERO CCn1ccnc1-c1cnnn1C1CC[NH2+]CC1 ZINC000725266175 538095105 /nfs/dbraw/zinc/09/51/05/538095105.db2.gz UIFFLAMETVLRPU-UHFFFAOYSA-N 1 0 246.318 1.086 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248557349 191108267 /nfs/dbraw/zinc/10/82/67/191108267.db2.gz ADBBOJVSVGGTEB-YVECIDJPSA-N 1 0 238.375 1.864 10 0 BDAERO C/C(=C/Cl)CN1CCC[NH2+][C@H](C)C1 ZINC000308112856 350521030 /nfs/dbraw/zinc/52/10/30/350521030.db2.gz QYEZPTNIQOPFCZ-ABRRARGCSA-N 1 0 202.729 1.813 10 0 BDAERO C[NH2+][C@@H]1CCN(CC(F)F)[C@@H](C)[C@@H]1C ZINC000228044679 350526331 /nfs/dbraw/zinc/52/63/31/350526331.db2.gz NSWBUYZBGSKZBI-XHNCKOQMSA-N 1 0 206.280 1.570 10 0 BDAERO C([C@H]1CC[NH2+]C1)[N@@H+]1CCCSCC1 ZINC000051890059 350542724 /nfs/dbraw/zinc/54/27/24/350542724.db2.gz RTBHXZRKTIKJTA-JTQLQIEISA-N 1 0 200.351 1.035 10 0 BDAERO CC(C)N(CC[NH2+]C[C@@H]1CCOC1)C(C)C ZINC000084523735 187452930 /nfs/dbraw/zinc/45/29/30/187452930.db2.gz JUFHOTLPUKZDEB-ZDUSSCGKSA-N 1 0 228.380 1.731 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2ccncn2)CC1 ZINC000616594012 350586116 /nfs/dbraw/zinc/58/61/16/350586116.db2.gz BUCWTESHGBRTLS-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO CSc1nccc(S[C@@H]2CC[NH2+]C2)n1 ZINC000095071801 187454718 /nfs/dbraw/zinc/45/47/18/187454718.db2.gz FOTLRDPXUUYZBS-SSDOTTSWSA-N 1 0 227.358 1.653 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2cccc(N)n2)CC1 ZINC000616594892 350596202 /nfs/dbraw/zinc/59/62/02/350596202.db2.gz ISDZVLYCCNYQRO-GFCCVEGCSA-N 1 0 235.331 1.836 10 0 BDAERO C[C@@H]1CSCCN1[C@@H]1CCC[C@H]1[NH3+] ZINC000251865008 362971847 /nfs/dbraw/zinc/97/18/47/362971847.db2.gz SUUHZDOTUQJRND-OPRDCNLKSA-N 1 0 200.351 1.304 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@@H](CO)[C@@H]1COC(C)(C)O1 ZINC000725266877 538097360 /nfs/dbraw/zinc/09/73/60/538097360.db2.gz KYQRZQUNARWBGI-SRVKXCTJSA-N 1 0 245.363 1.525 10 0 BDAERO Cc1nnc([C@H]2C[NH2+]C[C@@H]2C)n1-c1ccccc1 ZINC000104211232 180447072 /nfs/dbraw/zinc/44/70/72/180447072.db2.gz MGDOSGPWIOPCPB-GWCFXTLKSA-N 1 0 242.326 1.899 10 0 BDAERO CNc1ccc([C@H]2CCN(CC[NH3+])CCO2)cc1 ZINC000616595726 350610821 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CC(C)[C@@H]([NH3+])CC(=O)NCCOC(F)(F)F ZINC000398119138 363012693 /nfs/dbraw/zinc/01/26/93/363012693.db2.gz CCPYGLREVCCJCN-ZETCQYMHSA-N 1 0 242.241 1.012 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2conn2)C1 ZINC000616649421 351178571 /nfs/dbraw/zinc/17/85/71/351178571.db2.gz JBFKVBXYHXJPIH-JTQLQIEISA-N 1 0 225.292 1.632 10 0 BDAERO OCCc1ccccc1[C@H]1C[NH2+]CCCO1 ZINC000616651185 351182114 /nfs/dbraw/zinc/18/21/14/351182114.db2.gz LHSZMSKEBOFBQK-CYBMUJFWSA-N 1 0 221.300 1.272 10 0 BDAERO C[N@@H+]1CCCO[C@H](c2ccc(N)cc2)C1 ZINC000616651524 351182930 /nfs/dbraw/zinc/18/29/30/351182930.db2.gz NBAVNFVXBBICDU-LBPRGKRZSA-N 1 0 206.289 1.662 10 0 BDAERO CC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616653434 351185840 /nfs/dbraw/zinc/18/58/40/351185840.db2.gz WEDRIUULZRPMAH-AWEZNQCLSA-N 1 0 233.311 1.867 10 0 BDAERO CC[N@@H+]1CCCO[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616652785 351186054 /nfs/dbraw/zinc/18/60/54/351186054.db2.gz KKVWFTRAVIIXGE-CYBMUJFWSA-N 1 0 248.326 1.569 10 0 BDAERO CC[N@@H+]1CCCO[C@@H](Nc2ccccn2)C1 ZINC000616653460 351188250 /nfs/dbraw/zinc/18/82/50/351188250.db2.gz PTBPYRJNRPKMLK-GFCCVEGCSA-N 1 0 221.304 1.562 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccnnc2)C1 ZINC000616651878 351189065 /nfs/dbraw/zinc/18/90/65/351189065.db2.gz BHNXCSOPFWPFAW-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO CCOC(=O)c1ccc([C@@H]2C[NH2+]CCCO2)cc1 ZINC000616652404 351190856 /nfs/dbraw/zinc/19/08/56/351190856.db2.gz MHMDRAJAXDDCKG-ZDUSSCGKSA-N 1 0 249.310 1.914 10 0 BDAERO C[NH2+]C[C@@H](O)c1c(Cl)ccc(F)c1F ZINC000306823233 351130419 /nfs/dbraw/zinc/13/04/19/351130419.db2.gz PLJYBOPWIDUDKK-SSDOTTSWSA-N 1 0 221.634 1.871 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cccc(N)n1 ZINC000616637382 351132251 /nfs/dbraw/zinc/13/22/51/351132251.db2.gz LUKFQIRUZSJZRU-LLVKDONJSA-N 1 0 234.347 1.409 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1ccnnc1 ZINC000616637294 351132397 /nfs/dbraw/zinc/13/23/97/351132397.db2.gz KUTZEXSIGPHBRG-NSHDSACASA-N 1 0 220.320 1.221 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1cccc2cccnc21 ZINC000616637451 351133190 /nfs/dbraw/zinc/13/31/90/351133190.db2.gz MNIIXIUDICJWLN-CYBMUJFWSA-N 1 0 227.311 1.811 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1ccc2nnccc2c1 ZINC000616637987 351137491 /nfs/dbraw/zinc/13/74/91/351137491.db2.gz STZJIVKABDFPFV-ZDUSSCGKSA-N 1 0 228.299 1.206 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1ccccc1CO ZINC000616638497 351139902 /nfs/dbraw/zinc/13/99/02/351139902.db2.gz VRDONFIQPNTFNM-AWEZNQCLSA-N 1 0 234.343 1.534 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@@H]1CCO ZINC000616669971 351230559 /nfs/dbraw/zinc/23/05/59/351230559.db2.gz UWGFIANQQWBXEX-GFCCVEGCSA-N 1 0 220.316 1.149 10 0 BDAERO [NH3+]CC[C@@H]1CCc2ccccc2N1CCO ZINC000616670250 351232327 /nfs/dbraw/zinc/23/23/27/351232327.db2.gz MVZFKAMIVOVJDU-LBPRGKRZSA-N 1 0 220.316 1.149 10 0 BDAERO C[NH2+][C@@H]1Cc2ccccc2N(C(=O)OC)C1 ZINC000616671926 351237262 /nfs/dbraw/zinc/23/72/62/351237262.db2.gz WTRJZJBXBPZJFI-SNVBAGLBSA-N 1 0 220.272 1.404 10 0 BDAERO [NH3+]CCN1C[C@@H](c2cc[nH]n2)Cc2ccccc21 ZINC000616673438 351237351 /nfs/dbraw/zinc/23/73/51/351237351.db2.gz XXNVCBPUMDOHGW-LBPRGKRZSA-N 1 0 242.326 1.515 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CCC[C@H]1O)C1CCOCC1 ZINC000252714320 538100111 /nfs/dbraw/zinc/10/01/11/538100111.db2.gz RQWGXHBGPBMDKZ-CYZMBNFOSA-N 1 0 227.348 1.552 10 0 BDAERO CN1CCc2ccccc2[C@@H]1c1cn[nH]n1 ZINC000616677539 351244433 /nfs/dbraw/zinc/24/44/33/351244433.db2.gz SCESXLFJDSDTOV-GFCCVEGCSA-N 1 0 214.272 1.382 10 0 BDAERO [NH3+]C1CCN(CCc2nccs2)CC1 ZINC000063134219 351247184 /nfs/dbraw/zinc/24/71/84/351247184.db2.gz SHXSFZDGESFGNG-UHFFFAOYSA-N 1 0 211.334 1.109 10 0 BDAERO c1csc(CCNC2=[NH+]CCS2)n1 ZINC000063134779 351247457 /nfs/dbraw/zinc/24/74/57/351247457.db2.gz ZKAJPCQRMYKDHN-UHFFFAOYSA-N 1 0 213.331 1.378 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2cccc(N)n2)CC1 ZINC000616687406 351258811 /nfs/dbraw/zinc/25/88/11/351258811.db2.gz XMERTRQIZZFYQH-NSHDSACASA-N 1 0 221.304 1.447 10 0 BDAERO CCOC(=O)N1CCCC[C@@H]([NH2+]C)C1 ZINC000616654175 351195583 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/nfs/dbraw/zinc/21/42/79/351214279.db2.gz LWRXAKDBHUHABT-CYBMUJFWSA-N 1 0 249.310 1.451 10 0 BDAERO c1cc2ccc([C@@H]3C[NH2+]CCOC3)cc2cn1 ZINC000616663345 351215380 /nfs/dbraw/zinc/21/53/80/351215380.db2.gz OKABJSOZPDTEQJ-CQSZACIVSA-N 1 0 228.295 1.938 10 0 BDAERO CC[N@@H+]1CCOC[C@@H](c2cccc(N)c2)C1 ZINC000616662214 351217408 /nfs/dbraw/zinc/21/74/08/351217408.db2.gz YOVGCPKWWMSKNP-LBPRGKRZSA-N 1 0 220.316 1.705 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1nc[nH]n1 ZINC000616667673 351224786 /nfs/dbraw/zinc/22/47/86/351224786.db2.gz FHZAGLBKVDAXSH-GFCCVEGCSA-N 1 0 243.314 1.257 10 0 BDAERO CCOC(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063212775 351280971 /nfs/dbraw/zinc/28/09/71/351280971.db2.gz OIMLNASIBLGZIY-BDAKNGLRSA-N 1 0 200.282 1.393 10 0 BDAERO Clc1ccc(OC[C@H]2C=CC[NH2+]2)cn1 ZINC000028335855 180583807 /nfs/dbraw/zinc/58/38/07/180583807.db2.gz OIOGDOZURIRVFV-MRVPVSSYSA-N 1 0 210.664 1.642 10 0 BDAERO O=[S@@]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000306891225 351304808 /nfs/dbraw/zinc/30/48/08/351304808.db2.gz FYICEMSBYGEVHV-ZWNOBZJWSA-N 1 0 201.335 1.430 10 0 BDAERO CC(C)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113575500 535159595 /nfs/dbraw/zinc/15/95/95/535159595.db2.gz UPDVYABCPQIXLA-VXGBXAGGSA-N 1 0 239.363 1.521 10 0 BDAERO CC1(C)CCSC[C@]1(O)C1C[NH2+]C1 ZINC000306917402 351328821 /nfs/dbraw/zinc/32/88/21/351328821.db2.gz XZWVJEUBDLZMKW-JTQLQIEISA-N 1 0 201.335 1.100 10 0 BDAERO CC(C)(C[NH3+])Oc1cncc(Br)c1 ZINC000168062710 351278128 /nfs/dbraw/zinc/27/81/28/351278128.db2.gz YXNBXWYIXPYPNU-UHFFFAOYSA-N 1 0 245.120 1.960 10 0 BDAERO C[C@@H]1C[NH+]=C(SC[C@H]2CCCCO2)N1 ZINC000306881491 351279115 /nfs/dbraw/zinc/27/91/15/351279115.db2.gz LXWYHNJVKAHXMJ-RKDXNWHRSA-N 1 0 214.334 1.636 10 0 BDAERO C[C@@H]1CSCCN(C[C@H]2CC[NH2+]2)C1 ZINC000306955950 351380423 /nfs/dbraw/zinc/38/04/23/351380423.db2.gz BWJAJACEQDFYNN-VHSXEESVSA-N 1 0 200.351 1.033 10 0 BDAERO CCSCC[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000388679519 363024131 /nfs/dbraw/zinc/02/41/31/363024131.db2.gz ZVBHLOHHOQJCAN-NXEZZACHSA-N 1 0 203.351 1.633 10 0 BDAERO CCSCC[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000388679524 363024469 /nfs/dbraw/zinc/02/44/69/363024469.db2.gz ZVBHLOHHOQJCAN-VHSXEESVSA-N 1 0 203.351 1.633 10 0 BDAERO Cc1c[nH+]c(N)n1Cc1cnc(C)s1 ZINC000306922684 351342250 /nfs/dbraw/zinc/34/22/50/351342250.db2.gz WKKNDDBXGKNHNH-UHFFFAOYSA-N 1 0 208.290 1.587 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)NC1CCCC1 ZINC000034936744 351349952 /nfs/dbraw/zinc/34/99/52/351349952.db2.gz MXLAPAHBANQWAE-ZYHUDNBSSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@H]1C[C@@]2([NH2+]C(C)(C)CS2)[C@H](C)O1 ZINC000306934323 351359026 /nfs/dbraw/zinc/35/90/26/351359026.db2.gz GHYFTDPBVRVYDJ-WEDXCCLWSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@H](O)[C@@](C)(C[NH3+])CCOCc1ccccc1 ZINC000306940181 351361930 /nfs/dbraw/zinc/36/19/30/351361930.db2.gz OYWNIMVSCYVLKV-GXTWGEPZSA-N 1 0 237.343 1.939 10 0 BDAERO [NH3+]CCCCOCCCc1ccncc1 ZINC000034958525 351364529 /nfs/dbraw/zinc/36/45/29/351364529.db2.gz XSOYBEUPTNWKMJ-UHFFFAOYSA-N 1 0 208.305 1.770 10 0 BDAERO c1nn(Cc2ccccc2)cc1NC1=[NH+]CCN1 ZINC000307029473 351430691 /nfs/dbraw/zinc/43/06/91/351430691.db2.gz OILVNRPYAHBDNL-UHFFFAOYSA-N 1 0 241.298 1.303 10 0 BDAERO C[C@@H]1CN(Cc2ccccc2)CCN1C(N)=[NH2+] ZINC000307048109 351447251 /nfs/dbraw/zinc/44/72/51/351447251.db2.gz PBDLTJJSKBPUHM-LLVKDONJSA-N 1 0 232.331 1.086 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000309820665 187483935 /nfs/dbraw/zinc/48/39/35/187483935.db2.gz WGIJAFCMKCXVIM-PRULPYPASA-N 1 0 227.348 1.957 10 0 BDAERO C[C@H]1CN(C(=[NH2+])NCc2ccccc2)CC[C@H]1O ZINC000307050024 351447811 /nfs/dbraw/zinc/44/78/11/351447811.db2.gz HHSCWIJEFIJDQC-WCQYABFASA-N 1 0 247.342 1.414 10 0 BDAERO BrC1=CCCN([C@H]2CC[NH2+]C2)C1 ZINC000404438784 351449750 /nfs/dbraw/zinc/44/97/50/351449750.db2.gz VVUOIYHPJYWQQU-VIFPVBQESA-N 1 0 231.137 1.333 10 0 BDAERO C[C@@H]1CC[C@]2(C[NH2+]1)NCC[C@@H](C)S2 ZINC000307053316 351454403 /nfs/dbraw/zinc/45/44/03/351454403.db2.gz KMSPKJWDLQOLJM-BBBLOLIVSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]1C[C@H](NC(=[NH2+])NCc2ccccc2)CCO1 ZINC000306994900 351410108 /nfs/dbraw/zinc/41/01/08/351410108.db2.gz OQNDXXPQRFJNMA-DGCLKSJQSA-N 1 0 247.342 1.868 10 0 BDAERO NC(=[NH2+])c1ccc(N)c(F)c1Br ZINC000231859825 351412452 /nfs/dbraw/zinc/41/24/52/351412452.db2.gz PANCKPFJPLCNGE-UHFFFAOYSA-N 1 0 232.056 1.454 10 0 BDAERO CC1(C)[C@H](N2C(=O)c3ccccc3C2=O)C[C@@H]1[NH3+] ZINC000307011292 351419093 /nfs/dbraw/zinc/41/90/93/351419093.db2.gz KUCMUZXQYMSMGQ-WDEREUQCSA-N 1 0 244.294 1.408 10 0 BDAERO Clc1cccc2c1CN([NH+]=C1NCCN1)C2 ZINC000006093764 180592972 /nfs/dbraw/zinc/59/29/72/180592972.db2.gz OYLPBTPLAUXYTB-UHFFFAOYSA-N 1 0 236.706 1.119 10 0 BDAERO C[C@H]1CSC[C@]1([NH3+])c1nccs1 ZINC000307020428 351424622 /nfs/dbraw/zinc/42/46/22/351424622.db2.gz ZIWQQOQFZYQFNE-POYBYMJQSA-N 1 0 200.332 1.680 10 0 BDAERO Clc1ncc(CN[C@@H]2CC[NH2+]C2)c(Cl)n1 ZINC000095070190 180601793 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/nfs/dbraw/zinc/47/30/04/358473004.db2.gz UWSVZAYYFQLGFH-LBPRGKRZSA-N 1 0 249.310 1.922 10 0 BDAERO Cn1cnnc1C[C@H]([NH3+])c1ccccc1 ZINC000054497524 180794216 /nfs/dbraw/zinc/79/42/16/180794216.db2.gz UWBRXESTIWHOKN-JTQLQIEISA-N 1 0 202.261 1.058 10 0 BDAERO COc1ncc([C@H]2CC[C@H](C[NH3+])O2)s1 ZINC000307688699 352921029 /nfs/dbraw/zinc/92/10/29/352921029.db2.gz MDJVGMIEHYQGIZ-RNFRBKRXSA-N 1 0 214.290 1.331 10 0 BDAERO CS[C@H]1CCCCN(C2C[NH2+]C2)C1 ZINC000307694655 352970701 /nfs/dbraw/zinc/97/07/01/352970701.db2.gz XPPCJEIDUKGMOS-JTQLQIEISA-N 1 0 200.351 1.176 10 0 BDAERO C1CSC(N[C@@H]2CCCOCC2)=[NH+]1 ZINC000306193678 352990641 /nfs/dbraw/zinc/99/06/41/352990641.db2.gz CYALLBHSWXYIFC-MRVPVSSYSA-N 1 0 200.307 1.248 10 0 BDAERO C[C@@H](NC1=[NH+]C[C@H](C)N1)c1nccs1 ZINC000307692016 352937620 /nfs/dbraw/zinc/93/76/20/352937620.db2.gz QQFVIVRWPZTCBL-NKWVEPMBSA-N 1 0 210.306 1.141 10 0 BDAERO C[C@H]([NH3+])c1cnc(-c2csnn2)s1 ZINC000307693134 352961976 /nfs/dbraw/zinc/96/19/76/352961976.db2.gz 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/nfs/dbraw/zinc/05/01/33/353050133.db2.gz BORDWZNSBDUCCP-RYUDHWBXSA-N 1 0 247.342 1.067 10 0 BDAERO Cc1ccoc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638885652 353052558 /nfs/dbraw/zinc/05/25/58/353052558.db2.gz DHAMHMXYOOZIQB-ZJUUUORDSA-N 1 0 222.288 1.255 10 0 BDAERO CCCCCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638888955 353053456 /nfs/dbraw/zinc/05/34/56/353053456.db2.gz YXKCCQDXBCEFEQ-MNOVXSKESA-N 1 0 212.337 1.620 10 0 BDAERO Cc1ncc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000638892890 353053821 /nfs/dbraw/zinc/05/38/21/353053821.db2.gz KDISPKBJTFUPSP-APPZFPTMSA-N 1 0 239.344 1.118 10 0 BDAERO C[C@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1C[NH3+] ZINC000638886879 353053904 /nfs/dbraw/zinc/05/39/04/353053904.db2.gz JPKADMBSLGVKNY-WDEREUQCSA-N 1 0 224.348 1.620 10 0 BDAERO Cc1ccc(O)c(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638895818 353056680 /nfs/dbraw/zinc/05/66/80/353056680.db2.gz VDUVAACAQMZOKG-WDEREUQCSA-N 1 0 248.326 1.367 10 0 BDAERO CCCC1(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000638911376 353076479 /nfs/dbraw/zinc/07/64/79/353076479.db2.gz GUGNJIGOFPVSPA-MNOVXSKESA-N 1 0 224.348 1.620 10 0 BDAERO C[C@@H]1OCC[N@H+](C2CCC(=O)CC2)[C@H]1C ZINC000307715128 353107962 /nfs/dbraw/zinc/10/79/62/353107962.db2.gz GWVOXDYDGKERLJ-UWVGGRQHSA-N 1 0 211.305 1.607 10 0 BDAERO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC000307716372 353107996 /nfs/dbraw/zinc/10/79/96/353107996.db2.gz HULIOYUMUURYCQ-HBNTYKKESA-N 1 0 243.372 1.766 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CCN1OCc1ccccc1 ZINC000307725325 353114161 /nfs/dbraw/zinc/11/41/61/353114161.db2.gz BRIHJMNUZQSSQC-YPMHNXCESA-N 1 0 220.316 1.930 10 0 BDAERO CC[C@](C)(C(C)=O)[N@@H+]1CCCN(C)CC1 ZINC000307750066 353126142 /nfs/dbraw/zinc/12/61/42/353126142.db2.gz IQUQVZNMSGCUPO-GFCCVEGCSA-N 1 0 212.337 1.382 10 0 BDAERO C[C@@H]1COCCN1C[C@@H]([NH3+])C(C)(C)C ZINC000223148605 353140755 /nfs/dbraw/zinc/14/07/55/353140755.db2.gz NKGHQVOOLJWYRL-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO CN(c1c[nH+]ccc1N)[C@@H]1CCSC1 ZINC000307732423 353121321 /nfs/dbraw/zinc/12/13/21/353121321.db2.gz PQCHPPCEIQOETQ-MRVPVSSYSA-N 1 0 209.318 1.606 10 0 BDAERO CCCCC/C=C/[C@@H](O)[C@@H]([NH3+])COCC ZINC000065734210 188086068 /nfs/dbraw/zinc/08/60/68/188086068.db2.gz JAHNNBMKFZJJLO-VDTGWRSZSA-N 1 0 215.337 1.848 10 0 in-vitro BDAERO COCC1(C[NH2+]C[C@H]2CCC[C@H]2O)CCC1 ZINC000393740999 353148800 /nfs/dbraw/zinc/14/88/00/353148800.db2.gz FDYOTTLWLXHDDM-VXGBXAGGSA-N 1 0 227.348 1.554 10 0 BDAERO C[NH+](C)CCOC(=O)/C=C\c1ccccc1 ZINC000015119419 188081690 /nfs/dbraw/zinc/08/16/90/188081690.db2.gz BWJAQVSVFPHGSU-HJWRWDBZSA-N 1 0 219.284 1.805 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](O)CN(C)C)C(C)(C)C ZINC000336660218 188083164 /nfs/dbraw/zinc/08/31/64/188083164.db2.gz BTWWSIJNJVMMRF-MNOVXSKESA-N 1 0 216.369 1.323 10 0 BDAERO Cc1cccc(CC(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000335555751 188083467 /nfs/dbraw/zinc/08/34/67/188083467.db2.gz SGGZOIXQVBQYKG-DGCLKSJQSA-N 1 0 232.327 1.486 10 0 BDAERO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000348112598 188085346 /nfs/dbraw/zinc/08/53/46/188085346.db2.gz CJWQDYCIOKGLNZ-HBNTYKKESA-N 1 0 228.336 1.009 10 0 BDAERO C[C@H]([NH3+])Cc1cn(Cc2ccccc2)nn1 ZINC000536959386 323970983 /nfs/dbraw/zinc/97/09/83/323970983.db2.gz JQSMICVKMZRFMO-JTQLQIEISA-N 1 0 216.288 1.216 10 0 BDAERO CC1(C)OC[C@H]([C@H]2CCSC2)[C@@H]1[NH3+] ZINC000405283873 353157170 /nfs/dbraw/zinc/15/71/70/353157170.db2.gz VCQVJOORXAVQNU-YIZRAAEISA-N 1 0 201.335 1.492 10 0 BDAERO CC1(C)OC[C@H]([C@@H]2CCSC2)[C@H]1[NH3+] ZINC000405283870 353157564 /nfs/dbraw/zinc/15/75/64/353157564.db2.gz VCQVJOORXAVQNU-IWSPIJDZSA-N 1 0 201.335 1.492 10 0 BDAERO COc1ccc(C[C@H]2COCC[C@@H]2[NH3+])cc1F ZINC000082328661 188097424 /nfs/dbraw/zinc/09/74/24/188097424.db2.gz BIMYGCPTCFFOTO-JQWIXIFHSA-N 1 0 239.290 1.741 10 0 BDAERO CC(C)Oc1nccc(C(N)=[NH2+])c1Cl ZINC000232673739 353162507 /nfs/dbraw/zinc/16/25/07/353162507.db2.gz MYYHDMKXVYVBFQ-UHFFFAOYSA-N 1 0 213.668 1.806 10 0 BDAERO C(c1nc2c(s1)CCC2)[C@@H]1CCC[NH2+]1 ZINC000011883911 188104770 /nfs/dbraw/zinc/10/47/70/188104770.db2.gz HZWPKHFIDUWZHF-QMMMGPOBSA-N 1 0 208.330 1.926 10 0 BDAERO O=C(NC[C@@H]1CCC[NH2+]C1)c1cccc(O)c1 ZINC000019387512 188107366 /nfs/dbraw/zinc/10/73/66/188107366.db2.gz OFMHGHWXBXZQMC-SNVBAGLBSA-N 1 0 234.299 1.122 10 0 BDAERO COc1ccc(CCN2C[C@@H](C[NH3+])CC2=O)cc1 ZINC000019669391 188107832 /nfs/dbraw/zinc/10/78/32/188107832.db2.gz BZNPQVIUDXIWLI-GFCCVEGCSA-N 1 0 248.326 1.045 10 0 BDAERO [NH3+]Cc1ccccc1CN1CCCCC1=O ZINC000020295835 188108506 /nfs/dbraw/zinc/10/85/06/188108506.db2.gz HPKVWKQGIDUWSC-UHFFFAOYSA-N 1 0 218.300 1.658 10 0 BDAERO CC(C)N(C)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022221595 188109017 /nfs/dbraw/zinc/10/90/17/188109017.db2.gz FMVUELPOYYSTND-UHFFFAOYSA-N 1 0 242.344 1.174 10 0 BDAERO COC(=O)[C@H](c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000029478475 188110530 /nfs/dbraw/zinc/11/05/30/188110530.db2.gz IDFZQTFWJZUVDF-VXGBXAGGSA-N 1 0 219.284 1.695 10 0 BDAERO COc1ccc([C@H](O)[C@@H]2CCC[NH2+]2)cc1F ZINC000036161639 188112298 /nfs/dbraw/zinc/11/22/98/188112298.db2.gz NGEXDJBMPREATE-JQWIXIFHSA-N 1 0 225.263 1.620 10 0 BDAERO CN(Cc1ccco1)C(=O)C1CCC([NH3+])CC1 ZINC000037626249 188114125 /nfs/dbraw/zinc/11/41/25/188114125.db2.gz QVUKGQYHHQVQDG-UHFFFAOYSA-N 1 0 236.315 1.756 10 0 BDAERO Cn1nnnc1S[C@H](C[NH3+])c1ccsc1 ZINC000043125811 180876833 /nfs/dbraw/zinc/87/68/33/180876833.db2.gz MIUSSKOPROHRSH-SSDOTTSWSA-N 1 0 241.345 1.064 10 0 BDAERO CC(C)[NH+]1CCC(N[C@@H](C)c2cc[nH]n2)CC1 ZINC000037906947 188114725 /nfs/dbraw/zinc/11/47/25/188114725.db2.gz RDARXCNYXHWUHE-NSHDSACASA-N 1 0 236.363 1.933 10 0 BDAERO Clc1nc2ncccc2c(N[C@H]2CC[NH2+]C2)n1 ZINC000073736550 188114835 /nfs/dbraw/zinc/11/48/35/188114835.db2.gz KBXVLMWEYCGLDK-ZETCQYMHSA-N 1 0 249.705 1.452 10 0 BDAERO Cc1ccc(OCC[C@H](O)CC[NH3+])cc1 ZINC000041218699 188118866 /nfs/dbraw/zinc/11/88/66/188118866.db2.gz DOTYKHXGJZDCBG-LLVKDONJSA-N 1 0 209.289 1.474 10 0 BDAERO CC(C)C[C@@H](C)OCC(=O)N1CCC[NH2+]CC1 ZINC000042354955 188119249 /nfs/dbraw/zinc/11/92/49/188119249.db2.gz YDTYEGWKGSPYAY-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO CC(C)[C@H]([NH3+])CN1CCCSCC1 ZINC000042444876 188120073 /nfs/dbraw/zinc/12/00/73/188120073.db2.gz TXWCIAFSQVRKLS-SNVBAGLBSA-N 1 0 202.367 1.409 10 0 BDAERO CC(C)N(CC1CC1)[C@H](C[NH3+])c1cnn(C)c1 ZINC000042580563 188120789 /nfs/dbraw/zinc/12/07/89/188120789.db2.gz CKTIGDJVNICJCD-CYBMUJFWSA-N 1 0 236.363 1.540 10 0 BDAERO CC(C)C[C@@H]1CSC(N[C@H]2CCN(C)C2)=[NH+]1 ZINC000042548632 188121036 /nfs/dbraw/zinc/12/10/36/188121036.db2.gz DJTHONPEXRGUAA-WDEREUQCSA-N 1 0 241.404 1.798 10 0 BDAERO CC(C)(C[NH3+])[C@H](O)c1ccc(F)cc1F ZINC000082642770 188121322 /nfs/dbraw/zinc/12/13/22/188121322.db2.gz NZPRSEJKLSDUNF-SNVBAGLBSA-N 1 0 215.243 1.983 10 0 BDAERO CC(C)([NH3+])c1noc(Cn2cc(Cl)cn2)n1 ZINC000043402417 188121865 /nfs/dbraw/zinc/12/18/65/188121865.db2.gz JAPNWXGCGYQHOY-UHFFFAOYSA-N 1 0 241.682 1.162 10 0 BDAERO CC(=O)N1CCC2(C1)CC[NH+](C1CC1)CC2 ZINC000095082797 188145465 /nfs/dbraw/zinc/14/54/65/188145465.db2.gz RCGWWDWIRCYPOE-UHFFFAOYSA-N 1 0 222.332 1.483 10 0 BDAERO C[N@@H+]1CCC[C@@H](CNc2ccc(N)cn2)C1 ZINC000044535757 188123493 /nfs/dbraw/zinc/12/34/93/188123493.db2.gz JWGKIKRSYVHIJD-JTQLQIEISA-N 1 0 220.320 1.418 10 0 BDAERO FC(F)(F)[C@@]1(c2nc(C3CC3)no2)CC[NH2+]C1 ZINC000104194149 180889741 /nfs/dbraw/zinc/88/97/41/180889741.db2.gz KNPZIODWGOHSOV-VIFPVBQESA-N 1 0 247.220 1.740 10 0 BDAERO CCCCS(=O)(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000309266784 538111109 /nfs/dbraw/zinc/11/11/09/538111109.db2.gz CWWKIOWYWMXUSO-LLVKDONJSA-N 1 0 248.392 1.096 10 0 BDAERO CC(C)C[S@@](=O)C1CCC([NH3+])CC1 ZINC000055144866 188126747 /nfs/dbraw/zinc/12/67/47/188126747.db2.gz GJWXSYAWIHQYAJ-ZPPKWKGLSA-N 1 0 203.351 1.661 10 0 BDAERO CC(=O)CC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000070162910 188130982 /nfs/dbraw/zinc/13/09/82/188130982.db2.gz ZJQPRRFXBACUTM-OAHLLOKOSA-N 1 0 246.354 1.954 10 0 BDAERO C([C@H]1CSCCC[NH2+]1)N1CCCC1 ZINC000077101495 188135076 /nfs/dbraw/zinc/13/50/76/188135076.db2.gz MVRQYXDJZGVVRQ-JTQLQIEISA-N 1 0 200.351 1.177 10 0 BDAERO Cc1cccc(C)c1NC(=O)C1(C[NH3+])CC1 ZINC000077326785 188135899 /nfs/dbraw/zinc/13/58/99/188135899.db2.gz RMMBTHCVXCEVIO-UHFFFAOYSA-N 1 0 218.300 1.981 10 0 BDAERO CC(C)C[C@H](C[NH3+])Nc1ncc(F)cn1 ZINC000128501015 188143381 /nfs/dbraw/zinc/14/33/81/188143381.db2.gz GZAQLAGAGNQWEL-SECBINFHSA-N 1 0 212.272 1.401 10 0 BDAERO CC1(C)C[C@@H]1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000104118834 188150423 /nfs/dbraw/zinc/15/04/23/188150423.db2.gz IAMZZWHLRPCAKM-LBPRGKRZSA-N 1 0 232.327 1.603 10 0 BDAERO Cc1ccoc1C(=O)N(C)C[C@H](C)C[NH3+] ZINC000042454973 188150945 /nfs/dbraw/zinc/15/09/45/188150945.db2.gz VTUAIEMSKVNORW-MRVPVSSYSA-N 1 0 210.277 1.255 10 0 BDAERO Cc1ccoc1C(=O)N(C)C[C@@H](C)C[NH3+] ZINC000042454972 188151097 /nfs/dbraw/zinc/15/10/97/188151097.db2.gz VTUAIEMSKVNORW-QMMMGPOBSA-N 1 0 210.277 1.255 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000104207861 188151444 /nfs/dbraw/zinc/15/14/44/188151444.db2.gz YKTMXELUAKDPKL-JOYOIKCWSA-N 1 0 246.310 1.416 10 0 BDAERO Nc1ccc(SC[C@@H]2CCCC[NH2+]2)nc1 ZINC000043495560 188151969 /nfs/dbraw/zinc/15/19/69/188151969.db2.gz WPSHMORJZFIEGE-JTQLQIEISA-N 1 0 223.345 1.898 10 0 BDAERO C[NH2+][C@@H]1CCN(C[C@H]2CC=CCC2)C1=O ZINC000045630792 188152309 /nfs/dbraw/zinc/15/23/09/188152309.db2.gz RQGUJZXXEDMXJT-WDEREUQCSA-N 1 0 208.305 1.163 10 0 BDAERO C[NH2+][C@@H]1CCN(C[C@@H]2CC=CCC2)C1=O ZINC000045630796 188153014 /nfs/dbraw/zinc/15/30/14/188153014.db2.gz RQGUJZXXEDMXJT-GHMZBOCLSA-N 1 0 208.305 1.163 10 0 BDAERO Cc1cccc2[nH]c([C@H]([NH3+])[C@H](C)O)nc21 ZINC000043598374 188153031 /nfs/dbraw/zinc/15/30/31/188153031.db2.gz UXYSKTXTSZPJDC-IONNQARKSA-N 1 0 205.261 1.252 10 0 BDAERO CC1(C)C[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000045136499 188153121 /nfs/dbraw/zinc/15/31/21/188153121.db2.gz HOFQSQLFASGNBH-SNVBAGLBSA-N 1 0 210.321 1.291 10 0 BDAERO CC(C)(C)c1csc(NC(=O)CC[NH3+])n1 ZINC000049499997 188153827 /nfs/dbraw/zinc/15/38/27/188153827.db2.gz KOIDFMGGANLTBD-UHFFFAOYSA-N 1 0 227.333 1.728 10 0 BDAERO CC(=O)NCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336662492 188163196 /nfs/dbraw/zinc/16/31/96/188163196.db2.gz KIPWOFZLCNAFGG-RYUDHWBXSA-N 1 0 230.327 1.631 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCc2nccn2C1 ZINC000309073530 188166158 /nfs/dbraw/zinc/16/61/58/188166158.db2.gz HQXHEIZCRWTVJA-LLVKDONJSA-N 1 0 205.305 1.754 10 0 BDAERO CC(C)=CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000309909945 188170524 /nfs/dbraw/zinc/17/05/24/188170524.db2.gz MBZGNLXPMMMWCI-GHMZBOCLSA-N 1 0 208.305 1.163 10 0 BDAERO CN(C)c1c[nH+]cc(OC2CC2)c1N(C)C ZINC000095723276 188146948 /nfs/dbraw/zinc/14/69/48/188146948.db2.gz KKQXKERKFOPZJF-UHFFFAOYSA-N 1 0 221.304 1.755 10 0 BDAERO CC(C)[C@@](C)(C[NH3+])N1CCOC(C)(C)C1 ZINC000041053670 188149971 /nfs/dbraw/zinc/14/99/71/188149971.db2.gz SIPRAASABBSZCH-GFCCVEGCSA-N 1 0 214.353 1.471 10 0 BDAERO CC1CC(C(=O)NC2(C[NH3+])CCCCC2)C1 ZINC000639000270 353248166 /nfs/dbraw/zinc/24/81/66/353248166.db2.gz XSDJABCMLGHPBB-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO CC(C)N(C)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055145625 188177857 /nfs/dbraw/zinc/17/78/57/188177857.db2.gz HNRMWOWOIISDRP-GHMZBOCLSA-N 1 0 212.337 1.618 10 0 BDAERO C[C@@H]1CC[C@@H](CN2CC[N@@H+]3CCC[C@@H]3C2)O1 ZINC000188547477 353252745 /nfs/dbraw/zinc/25/27/45/353252745.db2.gz KECVNABZAVYXTL-UPJWGTAASA-N 1 0 224.348 1.334 10 0 BDAERO Cc1ccc2c(c1)C[C@H](C1=[NH+]CCN1)O2 ZINC000027647794 188179960 /nfs/dbraw/zinc/17/99/60/188179960.db2.gz POXGLWJZPJYBIT-LLVKDONJSA-N 1 0 202.257 1.300 10 0 BDAERO C[C@H](CC1CCC1)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638997893 353240471 /nfs/dbraw/zinc/24/04/71/353240471.db2.gz SXMIWGAQGMGBQR-DVVUODLYSA-N 1 0 228.311 1.381 10 0 BDAERO CN(C)c1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000050245972 188219670 /nfs/dbraw/zinc/21/96/70/188219670.db2.gz JUJPMXMTJMMMBC-LLVKDONJSA-N 1 0 247.342 1.173 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@]2(C)CCOC2)S1 ZINC000229481066 353278583 /nfs/dbraw/zinc/27/85/83/353278583.db2.gz QWXAMKUSRFHDLB-VXNVDRBHSA-N 1 0 200.307 1.246 10 0 BDAERO COC(C)(C)C(=O)C[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000301032574 538113182 /nfs/dbraw/zinc/11/31/82/538113182.db2.gz VLZMPTHFOINUMC-ZJUUUORDSA-N 1 0 213.321 1.901 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)C)C1 ZINC000128078607 353282094 /nfs/dbraw/zinc/28/20/94/353282094.db2.gz VOEYTCJVMDPPII-JTQLQIEISA-N 1 0 227.352 1.568 10 0 BDAERO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(F)(F)F ZINC000062611396 188223852 /nfs/dbraw/zinc/22/38/52/188223852.db2.gz QOWBJRLOWXVHAU-ZETCQYMHSA-N 1 0 224.226 1.005 10 0 BDAERO Cc1ccsc1CC[C@H]1COCC[NH2+]1 ZINC000129429951 353319254 /nfs/dbraw/zinc/31/92/54/353319254.db2.gz MSMJAIJBJYGLBI-JTQLQIEISA-N 1 0 211.330 1.978 10 0 BDAERO CCOC(CNCCC[NH+](CC)CC)OCC ZINC000160178668 353376841 /nfs/dbraw/zinc/37/68/41/353376841.db2.gz ZZROQOASKRTEJA-UHFFFAOYSA-N 1 0 246.395 1.707 10 0 BDAERO C[NH2+]C(C)(C)CN1CCS[C@H](C)[C@@H]1C ZINC000132491117 353383804 /nfs/dbraw/zinc/38/38/04/353383804.db2.gz JVDWBMOZCXWAAW-VHSXEESVSA-N 1 0 216.394 1.810 10 0 BDAERO CC[C@H]1CN(c2cc(C)ncc2C#N)CC[C@H]1[NH3+] ZINC000398984933 353421432 /nfs/dbraw/zinc/42/14/32/353421432.db2.gz HPFXUYVBZSXGHM-WCQYABFASA-N 1 0 244.342 1.825 10 0 BDAERO C[C@@H](NCc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000571669480 353489518 /nfs/dbraw/zinc/48/95/18/353489518.db2.gz OKFBTGQLRZYAPB-MNOVXSKESA-N 1 0 208.305 1.757 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1cncc(Br)c1 ZINC000300966767 363230625 /nfs/dbraw/zinc/23/06/25/363230625.db2.gz QERHUZVSZQSKKK-RXMQYKEDSA-N 1 0 244.092 1.130 10 0 BDAERO Fc1ccc(F)c(OCCN2CC[NH2+]CC2)c1 ZINC000071167819 180975543 /nfs/dbraw/zinc/97/55/43/180975543.db2.gz JEQZYEYIYYRBNJ-UHFFFAOYSA-N 1 0 242.269 1.249 10 0 BDAERO Fc1ccc2cc(C[C@@H]3CCC[NH2+]3)[nH]c2n1 ZINC000029130284 180990680 /nfs/dbraw/zinc/99/06/80/180990680.db2.gz NWXQBIGZOUYUBE-VIFPVBQESA-N 1 0 219.263 1.997 10 0 BDAERO CN(C(=O)[C@H]1CC1(C)C)[C@H]1CCC[NH2+]CC1 ZINC000231491625 353615008 /nfs/dbraw/zinc/61/50/08/353615008.db2.gz USSQQWQDWZTUNV-WDEREUQCSA-N 1 0 224.348 1.633 10 0 BDAERO N#Cc1cnccc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000399022359 353694201 /nfs/dbraw/zinc/69/42/01/353694201.db2.gz HXHVCAURANVOQX-WDEREUQCSA-N 1 0 216.288 1.057 10 0 BDAERO Fc1cccc([C@H]2CN(C3CC3)CC[NH2+]2)c1 ZINC000056894935 181004086 /nfs/dbraw/zinc/00/40/86/181004086.db2.gz HWUKABXUMAHDSG-CYBMUJFWSA-N 1 0 220.291 1.934 10 0 BDAERO Fc1ccccc1Cc1noc([C@H]2CC[NH2+]C2)n1 ZINC000062119711 181014075 /nfs/dbraw/zinc/01/40/75/181014075.db2.gz BVSFWZMVTXZGOH-JTQLQIEISA-N 1 0 247.273 1.876 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C ZINC000129593520 353740495 /nfs/dbraw/zinc/74/04/95/353740495.db2.gz GKRKYGYATPRCTO-DGCLKSJQSA-N 1 0 204.317 1.869 10 0 BDAERO Fc1cccnc1OCC1CC[NH2+]CC1 ZINC000054701242 181017392 /nfs/dbraw/zinc/01/73/92/181017392.db2.gz TVWBUYKCKZVAKP-UHFFFAOYSA-N 1 0 210.252 1.599 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ncnn2C)C[C@H](C)O1 ZINC000639137091 353841268 /nfs/dbraw/zinc/84/12/68/353841268.db2.gz YRVMYVRLJUPFAP-JGPRNRPPSA-N 1 0 238.335 1.108 10 0 BDAERO CN1C(=O)N(c2ccccc2)[C@@H]2CC[NH2+]C[C@@H]21 ZINC000606303198 353858431 /nfs/dbraw/zinc/85/84/31/353858431.db2.gz MHYBVVIIDYZOEK-NEPJUHHUSA-N 1 0 231.299 1.289 10 0 BDAERO C[N@@H+]1C[C@H](Cc2ccccc2)C[C@H]1CO ZINC000606303296 353858575 /nfs/dbraw/zinc/85/85/75/353858575.db2.gz BBHGSTBVDHVQRR-OLZOCXBDSA-N 1 0 205.301 1.542 10 0 BDAERO C/C(=C\Cl)CN1CC[NH2+]CC1(C)C ZINC000308106737 353885020 /nfs/dbraw/zinc/88/50/20/353885020.db2.gz HKEYUJUAFJVGQZ-RMKNXTFCSA-N 1 0 202.729 1.813 10 0 BDAERO Cc1cccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000577946711 366124342 /nfs/dbraw/zinc/12/43/42/366124342.db2.gz FZONCHJMYRBGGE-QWHCGFSZSA-N 1 0 233.359 1.868 10 0 BDAERO C[C@H](C[NH2+][C@H]1CCOC[C@@H]1O)C(C)(C)C ZINC000628467590 358484653 /nfs/dbraw/zinc/48/46/53/358484653.db2.gz ZFEJZCPEKWGXFU-VWYCJHECSA-N 1 0 215.337 1.408 10 0 BDAERO C[C@@H]1OCC[C@@]1(C)[NH2+][C@@H]1CCSC1 ZINC000308136261 354202069 /nfs/dbraw/zinc/20/20/69/354202069.db2.gz OKAXHNSCRLDXGK-IVZWLZJFSA-N 1 0 201.335 1.649 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCC(C1CC1)C1CC1 ZINC000083894654 354435578 /nfs/dbraw/zinc/43/55/78/354435578.db2.gz IUGGDKRMSVKQST-LBPRGKRZSA-N 1 0 224.348 1.666 10 0 BDAERO CC(C)C1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC000232539047 363375634 /nfs/dbraw/zinc/37/56/34/363375634.db2.gz URCXYSKTSBCMMV-VQXHTEKXSA-N 1 0 210.321 1.289 10 0 BDAERO CC(C)CCOCCN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232567348 363376436 /nfs/dbraw/zinc/37/64/36/363376436.db2.gz UQLOBSZIVYAOOG-RYUDHWBXSA-N 1 0 214.353 1.328 10 0 BDAERO CCCCOCCN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232988392 363391130 /nfs/dbraw/zinc/39/11/30/363391130.db2.gz GTEAZGCJQKUYOP-QWRGUYRKSA-N 1 0 200.326 1.082 10 0 BDAERO C[C@H]1CC[C@@H]([NH2+]CC2CC(O)C2)CS1 ZINC000623748502 354934223 /nfs/dbraw/zinc/93/42/23/354934223.db2.gz RBQFQTGYWSPAJG-QPBDYMMBSA-N 1 0 215.362 1.631 10 0 BDAERO C[C@]1(CNc2ncnc3[nH]ccc32)CCC[NH2+]C1 ZINC000420232443 192180688 /nfs/dbraw/zinc/18/06/88/192180688.db2.gz UKPFYZHUZZADFC-ZDUSSCGKSA-N 1 0 245.330 1.181 10 0 BDAERO CC[NH2+]CCCNc1cc(CC)nc(C)n1 ZINC000084082121 355282448 /nfs/dbraw/zinc/28/24/48/355282448.db2.gz KPHCAFQBQVWWAT-UHFFFAOYSA-N 1 0 222.336 1.759 10 0 BDAERO NC(=[NH2+])C[C@H](O)COc1ccc(Cl)cc1 ZINC000040539144 181187084 /nfs/dbraw/zinc/18/70/84/181187084.db2.gz NBYJSDNHHSQHJS-QMMMGPOBSA-N 1 0 228.679 1.406 10 0 BDAERO NC(=[NH2+])C[C@H]1COCCN1Cc1ccccc1 ZINC000083333041 181186368 /nfs/dbraw/zinc/18/63/68/181186368.db2.gz VSNXMVSTZKVJDK-LBPRGKRZSA-N 1 0 233.315 1.213 10 0 BDAERO NC(=[NH2+])CCOc1cc(F)ccc1F ZINC000070820042 181186670 /nfs/dbraw/zinc/18/66/70/181186670.db2.gz HPUBGQBMWYSAPQ-UHFFFAOYSA-N 1 0 200.188 1.670 10 0 BDAERO NC(=[NH2+])COc1ccc(Br)c(F)c1 ZINC000075881298 181187156 /nfs/dbraw/zinc/18/71/56/181187156.db2.gz FVWOHRBESACVIJ-UHFFFAOYSA-N 1 0 247.067 1.903 10 0 BDAERO NC(=[NH2+])N(C(N)=S)c1ccccc1Cl ZINC000039124999 181188154 /nfs/dbraw/zinc/18/81/54/181188154.db2.gz BMTWSOORBIBCEV-UHFFFAOYSA-N 1 0 228.708 1.283 10 0 BDAERO NC(=[NH2+])[C@@H](O)c1c(Cl)cccc1Cl ZINC000039135055 181192654 /nfs/dbraw/zinc/19/26/54/181192654.db2.gz QMBAGCQJEIOWQI-ZETCQYMHSA-N 1 0 219.071 1.963 10 0 BDAERO NC(=[NH2+])c1cc(OCC(F)(F)F)ccn1 ZINC000061814503 181193750 /nfs/dbraw/zinc/19/37/50/181193750.db2.gz SUEVAGXUEDWQEI-UHFFFAOYSA-N 1 0 219.166 1.307 10 0 BDAERO NC(=[NH2+])c1ccc(CNc2ccccc2)cn1 ZINC000091692236 181194372 /nfs/dbraw/zinc/19/43/72/181194372.db2.gz PEBCEWSLYDHLBK-UHFFFAOYSA-N 1 0 226.283 1.978 10 0 BDAERO NC(=[NH2+])c1ccc(COC[C@@H]2CCCO2)cc1 ZINC000019504973 181194495 /nfs/dbraw/zinc/19/44/95/181194495.db2.gz RUDBUNNRBVLXDW-LBPRGKRZSA-N 1 0 234.299 1.666 10 0 BDAERO NC(=[NH2+])c1ccc(Cn2cccn2)cc1 ZINC000019511653 181195584 /nfs/dbraw/zinc/19/55/84/181195584.db2.gz JXMJANBQKJLUFH-UHFFFAOYSA-N 1 0 200.245 1.215 10 0 BDAERO NC(=[NH2+])c1cccc(CCc2c[nH]cn2)c1 ZINC000026377269 181196248 /nfs/dbraw/zinc/19/62/48/181196248.db2.gz RZRFLWGZONKLLU-UHFFFAOYSA-N 1 0 214.272 1.479 10 0 BDAERO NC(=[NH2+])c1cccnc1OCC(F)(F)F ZINC000019478957 181195845 /nfs/dbraw/zinc/19/58/45/181195845.db2.gz OXQBGHOCBCHYTM-UHFFFAOYSA-N 1 0 219.166 1.307 10 0 BDAERO NC(=[NH2+])c1cccc(OC[C@@H]2CCCO2)c1 ZINC000019471055 181195896 /nfs/dbraw/zinc/19/58/96/181195896.db2.gz JOVOYZLFXITWET-NSHDSACASA-N 1 0 220.272 1.528 10 0 BDAERO NC(=[NH2+])c1cccnc1OCCc1ccccn1 ZINC000034958513 181195981 /nfs/dbraw/zinc/19/59/81/181195981.db2.gz NWTLOBOFMRKGKX-UHFFFAOYSA-N 1 0 242.282 1.382 10 0 BDAERO NC(=[NH2+])c1cccc(Cn2cccn2)c1 ZINC000019434468 181196220 /nfs/dbraw/zinc/19/62/20/181196220.db2.gz UFXQBXZTKSXRSM-UHFFFAOYSA-N 1 0 200.245 1.215 10 0 BDAERO Cn1cccc1C(=O)CN1C[C@H]2CCC[C@H]21 ZINC000335815954 355505535 /nfs/dbraw/zinc/50/55/35/355505535.db2.gz LUARNEQMIVPZQG-GHMZBOCLSA-N 1 0 218.300 1.692 10 0 BDAERO CC[C@H]([NH3+])[C@H]1Cc2c(cccc2F)C1=O ZINC000166482652 355531822 /nfs/dbraw/zinc/53/18/22/355531822.db2.gz FEZBRYWAZORPGY-KOLCDFICSA-N 1 0 207.248 1.918 10 0 BDAERO CC[C@H]1CCN(C(=O)n2cc[n+](C)c2)C1 ZINC000166479567 355543573 /nfs/dbraw/zinc/54/35/73/355543573.db2.gz YNGPIKQDCCGPJO-JTQLQIEISA-N 1 0 208.285 1.013 10 0 BDAERO NC(=[NH2+])c1cccc(OCCn2cccn2)c1 ZINC000049314694 181196594 /nfs/dbraw/zinc/19/65/94/181196594.db2.gz KUQPSLBDEMNUHN-UHFFFAOYSA-N 1 0 230.271 1.246 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335830025 355556005 /nfs/dbraw/zinc/55/60/05/355556005.db2.gz HZLLMVJSDYBCJM-RYUDHWBXSA-N 1 0 236.363 1.633 10 0 BDAERO CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CC(=O)N(C)C1)OC ZINC000639321947 355722783 /nfs/dbraw/zinc/72/27/83/355722783.db2.gz QBMNQNPJUZCYNV-QJPTWQEYSA-N 1 0 242.363 1.115 10 0 BDAERO [NH3+]C[C@@H]1CO[C@@H](c2ncc(Cl)s2)O1 ZINC000223348429 355738942 /nfs/dbraw/zinc/73/89/42/355738942.db2.gz XKBCLNVZNZUKIB-CLZZGJSISA-N 1 0 220.681 1.169 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)c2ccnn2C)C1 ZINC000389174753 355756899 /nfs/dbraw/zinc/75/68/99/355756899.db2.gz OSDIJGGYBIHLHL-MNOVXSKESA-N 1 0 222.336 1.165 10 0 BDAERO [NH2+]=C1c2ccccc2CN1CC(=O)NC1CC1 ZINC000036782557 181208278 /nfs/dbraw/zinc/20/82/78/181208278.db2.gz BTGNMETXOXKUMC-UHFFFAOYSA-N 1 0 229.283 1.106 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)CS1 ZINC000639334729 355765303 /nfs/dbraw/zinc/76/53/03/355765303.db2.gz JMZLFBHUCWXIGD-SEZDTBSWSA-N 1 0 201.335 1.241 10 0 BDAERO CCO[C@@H]1CCC[N@H+](C[C@@](C)(O)CC)C1 ZINC000229387276 491085871 /nfs/dbraw/zinc/08/58/71/491085871.db2.gz GJNQSDBGACZNLK-NEPJUHHUSA-N 1 0 215.337 1.648 10 0 BDAERO Cn1nnnc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000389308898 355963037 /nfs/dbraw/zinc/96/30/37/355963037.db2.gz QIACFHMSSFPVCL-UHFFFAOYSA-N 1 0 247.346 1.124 10 0 BDAERO NC(=O)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000035048070 181236452 /nfs/dbraw/zinc/23/64/52/181236452.db2.gz NZIHIYRQVOCCMU-SECBINFHSA-N 1 0 240.303 1.438 10 0 BDAERO NC(=O)CC[C@@H]([NH3+])c1cc(F)ccc1F ZINC000037483752 181226293 /nfs/dbraw/zinc/22/62/93/181226293.db2.gz IFGIUFDCFRZTPW-SECBINFHSA-N 1 0 214.215 1.230 10 0 BDAERO NC(=O)CCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732560 181226509 /nfs/dbraw/zinc/22/65/09/181226509.db2.gz JHCQNKJXGXAERV-LBPRGKRZSA-N 1 0 234.299 1.277 10 0 BDAERO NC(=O)CC[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000037483860 181226747 /nfs/dbraw/zinc/22/67/47/181226747.db2.gz DDDVXDAWWXHBOD-RXMQYKEDSA-N 1 0 218.709 1.667 10 0 BDAERO NC(=O)CCNc1ccc(N)c2c[nH+]ccc12 ZINC000036747103 181226923 /nfs/dbraw/zinc/22/69/23/181226923.db2.gz XGOKRWRYMFUWCY-UHFFFAOYSA-N 1 0 230.271 1.104 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000020577954 181242169 /nfs/dbraw/zinc/24/21/69/181242169.db2.gz QVHDRXNWNLCUEH-SSDOTTSWSA-N 1 0 216.643 1.354 10 0 BDAERO OC1(C[N@@H+]2CCCSCC2)CCC1 ZINC000335915967 356155808 /nfs/dbraw/zinc/15/58/08/356155808.db2.gz WZBBYSVRFRNENC-UHFFFAOYSA-N 1 0 201.335 1.340 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCC1)c1cccc(F)c1 ZINC000037968674 181264326 /nfs/dbraw/zinc/26/43/26/181264326.db2.gz ZHCAQPJTNWORDF-LBPRGKRZSA-N 1 0 236.290 1.884 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](CC)C1 ZINC000193252170 356311471 /nfs/dbraw/zinc/31/14/71/356311471.db2.gz OAIBNEZBWUHYQP-STQMWFEESA-N 1 0 229.364 1.896 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CC1)c1cccc(F)c1 ZINC000037870405 181264714 /nfs/dbraw/zinc/26/47/14/181264714.db2.gz DNDAVQKDLIOGGL-JTQLQIEISA-N 1 0 208.236 1.104 10 0 BDAERO [NH3+]CC[C@@H](Nc1ncnc2[nH]ccc21)C(F)F ZINC000420289473 192201866 /nfs/dbraw/zinc/20/18/66/192201866.db2.gz SYEZSNISECBUKA-SSDOTTSWSA-N 1 0 241.245 1.352 10 0 BDAERO C[C@@]([NH3+])(C(N)=O)c1cccc(Br)c1 ZINC000037460069 356422283 /nfs/dbraw/zinc/42/22/83/356422283.db2.gz BJOMVPCARODHTN-VIFPVBQESA-N 1 0 243.104 1.108 10 0 BDAERO Cc1nsc(N[C@](C)(C[NH3+])C2CC2)n1 ZINC000168584325 356426286 /nfs/dbraw/zinc/42/62/86/356426286.db2.gz WGAMUYZTFPGMCW-SECBINFHSA-N 1 0 212.322 1.386 10 0 BDAERO CC(C)N(C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000190677639 356449315 /nfs/dbraw/zinc/44/93/15/356449315.db2.gz FEAGQXWCYNQHJF-SNVBAGLBSA-N 1 0 213.325 1.083 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCCCC1)c1cccnc1 ZINC000037970636 181277918 /nfs/dbraw/zinc/27/79/18/181277918.db2.gz TXYLSHRNXNAUAI-CYBMUJFWSA-N 1 0 247.342 1.920 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCCCC1)[C@@H]1CCOC1 ZINC000037970516 181278143 /nfs/dbraw/zinc/27/81/43/181278143.db2.gz NYZJGLDMDVBSAT-ZYHUDNBSSA-N 1 0 240.347 1.189 10 0 BDAERO NC(=O)[C@]([NH3+])(c1ccc(Cl)cc1)C1CC1 ZINC000037678109 181284724 /nfs/dbraw/zinc/28/47/24/181284724.db2.gz OFUQKUQHFJPZPT-LLVKDONJSA-N 1 0 224.691 1.389 10 0 BDAERO NC(=O)[C@]([NH3+])(Cc1ccccc1)c1ccccc1 ZINC000037515003 181284732 /nfs/dbraw/zinc/28/47/32/181284732.db2.gz PQQZXFVMQSHFNW-HNNXBMFYSA-N 1 0 240.306 1.569 10 0 BDAERO C[NH2+]CC(=O)c1cncc2ccccc21 ZINC000168172053 356507421 /nfs/dbraw/zinc/50/74/21/356507421.db2.gz GITVZWHIIDVAHA-UHFFFAOYSA-N 1 0 200.241 1.637 10 0 BDAERO O=C1CC2(CN1)CC[NH+](C1CCC1)CC2 ZINC000336182078 134119966 /nfs/dbraw/zinc/11/99/66/134119966.db2.gz MUVMOHAFHQLZRL-UHFFFAOYSA-N 1 0 208.305 1.141 10 0 BDAERO COC(=O)[C@H]1CC12CC[NH+](C1CCC1)CC2 ZINC000336181976 134120001 /nfs/dbraw/zinc/12/00/01/134120001.db2.gz HJTJXTKHZHTNDI-LLVKDONJSA-N 1 0 223.316 1.814 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000384320920 356592685 /nfs/dbraw/zinc/59/26/85/356592685.db2.gz VIKNSQWIBLSCDZ-MFKMUULPSA-N 1 0 243.310 1.885 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)c1cncc(Br)c1 ZINC000125161606 538464080 /nfs/dbraw/zinc/46/40/80/538464080.db2.gz GFZHIJDFKZRKMX-RCOVLWMOSA-N 1 0 245.120 1.472 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675056957 538479374 /nfs/dbraw/zinc/47/93/74/538479374.db2.gz RYNPQBSAUPJMMR-GRYCIOLGSA-N 1 0 239.363 1.424 10 0 BDAERO CC1CC[NH+](Cc2c(C[NH3+])cnn2C)CC1 ZINC000675056931 538479472 /nfs/dbraw/zinc/47/94/72/538479472.db2.gz ZDFOYIMKHFMWQH-UHFFFAOYSA-N 1 0 222.336 1.111 10 0 BDAERO C[C@H]1C[C@H](C)C[NH+](Cc2c(C[NH3+])cnn2C)C1 ZINC000675056926 538479506 /nfs/dbraw/zinc/47/95/06/538479506.db2.gz ZCPIPWXDXZFFRV-QWRGUYRKSA-N 1 0 236.363 1.357 10 0 BDAERO CCCC(=O)N1CCOc2ccccc2[C@@H]1C[NH3+] ZINC000675057881 538480584 /nfs/dbraw/zinc/48/05/84/538480584.db2.gz MUVCYGDVBUAFFZ-LBPRGKRZSA-N 1 0 248.326 1.708 10 0 BDAERO O=Cc1ccc(C=C2CC[NH2+]CC2)cn1 ZINC000675051453 538474838 /nfs/dbraw/zinc/47/48/38/538474838.db2.gz LRLLEZZXJXORQB-UHFFFAOYSA-N 1 0 202.257 1.661 10 0 BDAERO CCC[NH2+]Cc1csc(COC)n1 ZINC000049684750 356652133 /nfs/dbraw/zinc/65/21/33/356652133.db2.gz BPYKGDVTHXMQBP-UHFFFAOYSA-N 1 0 200.307 1.789 10 0 BDAERO Cc1cn2c(n1)[C@H]([C@@H]1CCOC1)[NH2+]CCC2 ZINC000675067337 538493529 /nfs/dbraw/zinc/49/35/29/538493529.db2.gz ALCOUQARDBWZTO-MNOVXSKESA-N 1 0 221.304 1.262 10 0 BDAERO CCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675069297 538498736 /nfs/dbraw/zinc/49/87/36/538498736.db2.gz GOQCSRGSQNPYHL-OBPIAQAESA-N 1 0 238.375 1.912 10 0 BDAERO [NH3+]Cc1cc2ccc(F)c(F)c2[nH]c1=O ZINC000675069944 538499342 /nfs/dbraw/zinc/49/93/42/538499342.db2.gz NDWDFMUGBWWCNF-UHFFFAOYSA-N 1 0 210.183 1.677 10 0 BDAERO CC(C)(C)NC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675070674 538501223 /nfs/dbraw/zinc/50/12/23/538501223.db2.gz RKPGNNLQXZXVMC-CHWFTXMASA-N 1 0 239.363 1.458 10 0 BDAERO COCC[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000167646636 134153393 /nfs/dbraw/zinc/15/33/93/134153393.db2.gz HARINIAJHSADRE-NXEZZACHSA-N 1 0 203.326 1.408 10 0 BDAERO CC1(C(=O)N2CCC[C@@H]3C[C@@]32C[NH3+])CC1 ZINC000675071205 538502164 /nfs/dbraw/zinc/50/21/64/538502164.db2.gz XNZVZRAUJXCTHK-BXKDBHETSA-N 1 0 208.305 1.126 10 0 BDAERO CCC[C@H](CCO)C[NH2+]Cc1cnn(C)c1C ZINC000163002462 202142531 /nfs/dbraw/zinc/14/25/31/202142531.db2.gz NSMCOMAXNZCEPN-GFCCVEGCSA-N 1 0 239.363 1.617 10 0 BDAERO CC[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000166160334 491100508 /nfs/dbraw/zinc/10/05/08/491100508.db2.gz NATXNKLQOBHHLK-MNOVXSKESA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)(C)NC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675073869 538506440 /nfs/dbraw/zinc/50/64/40/538506440.db2.gz OFKLHHWRNWNJIJ-BXKDBHETSA-N 1 0 225.336 1.226 10 0 BDAERO COc1nsc(OC)c1C[NH2+]C(C)C ZINC000675074878 538507999 /nfs/dbraw/zinc/50/79/99/538507999.db2.gz CKWFWEHHJFXKIF-UHFFFAOYSA-N 1 0 216.306 1.658 10 0 BDAERO O=C1NCCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000675075998 538510722 /nfs/dbraw/zinc/51/07/22/538510722.db2.gz YIAKJRKMRHHRFS-LBPRGKRZSA-N 1 0 224.348 1.683 10 0 BDAERO C[C@H]1[NH2+]CCCn2cc(-c3ccncc3)nc21 ZINC000675068954 538497809 /nfs/dbraw/zinc/49/78/09/538497809.db2.gz UHXVKARUNJEGAH-SNVBAGLBSA-N 1 0 228.299 1.999 10 0 BDAERO CCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675069298 538498113 /nfs/dbraw/zinc/49/81/13/538498113.db2.gz GOQCSRGSQNPYHL-PJSNJIKXSA-N 1 0 238.375 1.912 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCN2CCC[C@@H]2C1 ZINC000167974645 134155206 /nfs/dbraw/zinc/15/52/06/134155206.db2.gz FFPGACHUARXREG-OLZOCXBDSA-N 1 0 226.364 1.173 10 0 BDAERO O[C@@H]1C=C(c2cc(F)cc(F)c2)C[NH2+]C1 ZINC000675077542 538513908 /nfs/dbraw/zinc/51/39/08/538513908.db2.gz NZKTXICZLKRNOE-LLVKDONJSA-N 1 0 211.211 1.312 10 0 BDAERO O[C@@H]1C=C(Cc2ccc(Cl)cn2)C[NH2+]C1 ZINC000675077488 538514053 /nfs/dbraw/zinc/51/40/53/538514053.db2.gz NDKCNNJAOOVOSF-LLVKDONJSA-N 1 0 224.691 1.168 10 0 BDAERO Cc1ccc(C2=C[C@@H](N)C[NH2+]C2)cc1F ZINC000675078127 538514728 /nfs/dbraw/zinc/51/47/28/538514728.db2.gz MSJAZTCWMCFQPE-LLVKDONJSA-N 1 0 206.264 1.448 10 0 BDAERO COCc1cc(C2=C[C@H](O)C[NH2+]C2)cs1 ZINC000675078034 538514912 /nfs/dbraw/zinc/51/49/12/538514912.db2.gz VAENYWWQNOGEQK-JTQLQIEISA-N 1 0 225.313 1.242 10 0 BDAERO CC1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077971 538515421 /nfs/dbraw/zinc/51/54/21/538515421.db2.gz LIOAFSZHNJABOP-SECBINFHSA-N 1 0 212.293 1.511 10 0 BDAERO O[C@H]1C=C(c2c(F)cccc2Cl)C[NH2+]C1 ZINC000675078155 538515585 /nfs/dbraw/zinc/51/55/85/538515585.db2.gz WKKBCKRVZGPXEQ-QMMMGPOBSA-N 1 0 227.666 1.827 10 0 BDAERO O[C@H]1C=C(Cc2ccc(Cl)cc2)C[NH2+]C1 ZINC000675078608 538516583 /nfs/dbraw/zinc/51/65/83/538516583.db2.gz ZPVHQFUVNGLKSO-LBPRGKRZSA-N 1 0 223.703 1.773 10 0 BDAERO CC1(C)CC2(CC(C)(C)[NH2+]1)OCCC2=O ZINC000675079360 538517184 /nfs/dbraw/zinc/51/71/84/538517184.db2.gz DCKHFUSRDIHMBS-UHFFFAOYSA-N 1 0 211.305 1.655 10 0 BDAERO COc1ccc(C2=C[C@@H]([NH3+])CNC2)s1 ZINC000675079384 538517200 /nfs/dbraw/zinc/51/72/00/538517200.db2.gz YFRYUBDZPHEIRE-MRVPVSSYSA-N 1 0 210.302 1.071 10 0 BDAERO O[C@H]1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000675080434 538520568 /nfs/dbraw/zinc/52/05/68/538520568.db2.gz QMRKBXAUGSZVDP-AWEZNQCLSA-N 1 0 247.338 1.802 10 0 BDAERO CCOC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000084888503 538535746 /nfs/dbraw/zinc/53/57/46/538535746.db2.gz GKXDBKPILYSNRH-UHFFFAOYSA-N 1 0 222.288 1.589 10 0 BDAERO [NH3+][C@H](Cc1ccc(O)cc1)c1ncccn1 ZINC000087181063 538563709 /nfs/dbraw/zinc/56/37/09/538563709.db2.gz AKCNSFBOYASLFL-LLVKDONJSA-N 1 0 215.256 1.425 10 0 BDAERO Cc1ccc(C[NH2+][C@H](C(N)=O)C(C)C)cc1 ZINC000223962245 538597796 /nfs/dbraw/zinc/59/77/96/538597796.db2.gz PZHCXEYGSCUNNA-LBPRGKRZSA-N 1 0 220.316 1.595 10 0 BDAERO CC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000096871892 538616938 /nfs/dbraw/zinc/61/69/38/538616938.db2.gz WVNLXMWFNGHKPU-QWHCGFSZSA-N 1 0 218.300 1.350 10 0 BDAERO Cc1ccc(F)c(C[NH2+][C@H](C(N)=O)C(C)C)c1 ZINC000227287415 538617494 /nfs/dbraw/zinc/61/74/94/538617494.db2.gz BUKHBXBLYJRMHO-LBPRGKRZSA-N 1 0 238.306 1.734 10 0 BDAERO C[C@@H]([NH3+])C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000041639999 358513233 /nfs/dbraw/zinc/51/32/33/358513233.db2.gz GEYBIKNPOPGISO-ZWNOBZJWSA-N 1 0 244.294 1.832 10 0 BDAERO Cc1nnc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000389596480 356999414 /nfs/dbraw/zinc/99/94/14/356999414.db2.gz PWXHQABKAMZATI-GMSGAONNSA-N 1 0 226.349 1.268 10 0 BDAERO NC(=O)c1cc(F)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000104244521 181289733 /nfs/dbraw/zinc/28/97/33/181289733.db2.gz MMEBBRWZPVCZCU-SECBINFHSA-N 1 0 237.278 1.089 10 0 BDAERO Cc1cc(N[C@H]2C[NH2+]CC[C@H]2C)ncn1 ZINC000389716788 357018872 /nfs/dbraw/zinc/01/88/72/357018872.db2.gz AMDWENGWMDALJE-SCZZXKLOSA-N 1 0 206.293 1.195 10 0 BDAERO C[C@H](CN[C@@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000389925276 357068773 /nfs/dbraw/zinc/06/87/73/357068773.db2.gz VQJLQXDJIMSPJY-UKRRQHHQSA-N 1 0 248.370 1.791 10 0 BDAERO [NH3+]C1(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000226435349 357147394 /nfs/dbraw/zinc/14/73/94/357147394.db2.gz GJOGHWARDXJCPT-UHFFFAOYSA-N 1 0 211.211 1.568 10 0 BDAERO C[C@H]1CCN(c2nccs2)[C@H](C[NH3+])C1 ZINC000300036519 357173913 /nfs/dbraw/zinc/17/39/13/357173913.db2.gz CLMFQCUELUGBHO-IUCAKERBSA-N 1 0 211.334 1.707 10 0 BDAERO C[N@@H+]1CCSC[C@H]1[C@H](O)C1CCC1 ZINC000300053358 357180356 /nfs/dbraw/zinc/18/03/56/357180356.db2.gz PBZOGXDATCJMQG-VHSXEESVSA-N 1 0 201.335 1.195 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC000393783156 357299130 /nfs/dbraw/zinc/29/91/30/357299130.db2.gz UWVUOPALTLAFQT-WIFZPCQCSA-N 1 0 210.321 1.228 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCC1CC(O)C1 ZINC000582726333 357373239 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201.335 1.286 10 0 BDAERO CC1(C)C[S@@](=O)C[C@@H](C2CCC2)[NH2+]1 ZINC000306216529 359330727 /nfs/dbraw/zinc/33/07/27/359330727.db2.gz CALAVBQYVJWTMI-ZANVPECISA-N 1 0 201.335 1.286 10 0 BDAERO OC1CCC([NH2+]CC2(F)CCC2)CC1 ZINC000306232932 359389940 /nfs/dbraw/zinc/38/99/40/359389940.db2.gz FDSKABOLUUIZDH-UHFFFAOYSA-N 1 0 201.285 1.772 10 0 BDAERO OC1(CCc2ccc(Cl)cc2)C[NH2+]C1 ZINC000306235270 359393089 /nfs/dbraw/zinc/39/30/89/359393089.db2.gz FSXDYCPYVCQRDW-UHFFFAOYSA-N 1 0 211.692 1.607 10 0 BDAERO C[C@H]1CCC[C@]([NH3+])(Cc2csnn2)C1 ZINC000306250208 359448341 /nfs/dbraw/zinc/44/83/41/359448341.db2.gz YLEHOFYLEIQGIM-WCBMZHEXSA-N 1 0 211.334 1.988 10 0 BDAERO [NH2+]=C1N[C@@H](c2csc(Br)c2)CO1 ZINC000306252020 359465595 /nfs/dbraw/zinc/46/55/95/359465595.db2.gz LZSGQRODCIOFDS-RXMQYKEDSA-N 1 0 247.117 1.897 10 0 BDAERO CC(C)(F)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000306262304 359483059 /nfs/dbraw/zinc/48/30/59/359483059.db2.gz XEWHWQMINGILQC-QMMMGPOBSA-N 1 0 202.273 1.074 10 0 BDAERO 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360191785 /nfs/dbraw/zinc/19/17/85/360191785.db2.gz UIEROJMHJXZNCA-UONOGXRCSA-N 1 0 240.391 1.972 10 0 BDAERO C[C@H]1C[C@]2(CNC(=O)O2)C[N@@H+]1Cc1ccccc1 ZINC000306492410 360216602 /nfs/dbraw/zinc/21/66/02/360216602.db2.gz XPJUPXOTAPFGIZ-FZMZJTMJSA-N 1 0 246.310 1.759 10 0 BDAERO C[C@@H]1C[C@]2(CNC(=O)O2)C[N@@H+]1Cc1ccccc1 ZINC000306492411 360216776 /nfs/dbraw/zinc/21/67/76/360216776.db2.gz XPJUPXOTAPFGIZ-RISCZKNCSA-N 1 0 246.310 1.759 10 0 BDAERO [NH3+]CC(=O)Cc1cccc(Cl)c1F ZINC000228429537 360216811 /nfs/dbraw/zinc/21/68/11/360216811.db2.gz WIKLZHYLGYVGOV-UHFFFAOYSA-N 1 0 201.628 1.549 10 0 BDAERO [NH3+]Cc1cnn(COCc2ccccc2)c1 ZINC000306496804 360225680 /nfs/dbraw/zinc/22/56/80/360225680.db2.gz YLNFVNOSYQVJCA-UHFFFAOYSA-N 1 0 217.272 1.516 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000094519617 360311963 /nfs/dbraw/zinc/31/19/63/360311963.db2.gz WYGCYTQRJIBBBS-CQSZACIVSA-N 1 0 244.338 1.932 10 0 BDAERO CCCCOCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094647970 360313828 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364083214 /nfs/dbraw/zinc/08/32/14/364083214.db2.gz CMPMYPOVNQWSOC-KBPBESRZSA-N 1 0 249.358 1.328 10 0 BDAERO CCCNC(=O)NC[C@@H]([NH3+])C1CCCCC1 ZINC000725254819 541331974 /nfs/dbraw/zinc/33/19/74/541331974.db2.gz DWWFCCQFZWMNNH-LLVKDONJSA-N 1 0 227.352 1.603 10 0 BDAERO CO[C@H]1CN(Cc2ccc(C)nc2)[C@](C)(C[NH3+])C1 ZINC000630366331 364086298 /nfs/dbraw/zinc/08/62/98/364086298.db2.gz KCXWXQYJUCFVCG-KGLIPLIRSA-N 1 0 249.358 1.328 10 0 BDAERO CO[C@H]1CN(Cc2nccs2)[C@@](C)(C[NH3+])C1 ZINC000630368666 364086367 /nfs/dbraw/zinc/08/63/67/364086367.db2.gz SPXDOQZPTXDAHM-MWLCHTKSSA-N 1 0 241.360 1.081 10 0 BDAERO [NH3+]CC(=O)Nc1c2ncsc2ccc1Cl ZINC000037008142 181355648 /nfs/dbraw/zinc/35/56/48/181355648.db2.gz QYHPRHDZNHJQLO-UHFFFAOYSA-N 1 0 241.703 1.847 10 0 BDAERO C[C@H]1CN(c2cnc3ccccc3n2)C[C@H]1C[NH3+] ZINC000630387719 364103319 /nfs/dbraw/zinc/10/33/19/364103319.db2.gz ZBXAKDFIFAWVBY-WDEREUQCSA-N 1 0 242.326 1.661 10 0 BDAERO C[C@@H](c1cnn(CC2CCC2)c1)N1CC[NH2+]CC1 ZINC000725264554 541337451 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/nfs/dbraw/zinc/27/43/65/364274365.db2.gz XFRMYDKYMWACQB-SFYZADRCSA-N 1 0 226.711 1.161 10 0 BDAERO Cc1cc(C)nc(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000630544909 364239998 /nfs/dbraw/zinc/23/99/98/364239998.db2.gz JSJDTLAWDCKKPL-VHSXEESVSA-N 1 0 206.293 1.256 10 0 BDAERO Cc1nnc(N2CCCCC[C@H]([NH3+])C2)nc1C ZINC000630550607 364243619 /nfs/dbraw/zinc/24/36/19/364243619.db2.gz VTQHMUDPFPTJAS-NSHDSACASA-N 1 0 235.335 1.196 10 0 BDAERO C[C@H]1CN(c2ccc3nccnc3n2)C[C@@H]1C[NH3+] ZINC000630576696 364275300 /nfs/dbraw/zinc/27/53/00/364275300.db2.gz YZYUIBJZPSBZGK-UWVGGRQHSA-N 1 0 243.314 1.056 10 0 BDAERO C[C@H]1CN(c2ncccc2Cl)C[C@H]1C[NH3+] ZINC000630566632 364263756 /nfs/dbraw/zinc/26/37/56/364263756.db2.gz DPRGVQHDLZEZCA-DTWKUNHWSA-N 1 0 225.723 1.766 10 0 BDAERO COc1cc(C)nc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630534322 364226928 /nfs/dbraw/zinc/22/69/28/364226928.db2.gz WEEWVGWMXSVAPH-WCBMZHEXSA-N 1 0 236.319 1.346 10 0 BDAERO Cc1cnc(C)c(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630535538 364227917 /nfs/dbraw/zinc/22/79/17/364227917.db2.gz VTLXTGGRVYWROO-KWQFWETISA-N 1 0 220.320 1.068 10 0 BDAERO C[C@H]1CC[C@@H](Nc2cn[nH]c(=O)c2Cl)C[NH2+]1 ZINC000630534559 364228821 /nfs/dbraw/zinc/22/88/21/364228821.db2.gz NBXCSCCNBVHFDG-NKWVEPMBSA-N 1 0 242.710 1.388 10 0 BDAERO CCC[C@H](CC)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170835030 364442553 /nfs/dbraw/zinc/44/25/53/364442553.db2.gz MKYAXVFWUFFXGI-NWDGAFQWSA-N 1 0 241.379 1.911 10 0 BDAERO [NH3+]CCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000037506569 181366893 /nfs/dbraw/zinc/36/68/93/181366893.db2.gz JKTGMOOCBJTBNR-WDEREUQCSA-N 1 0 210.321 1.516 10 0 BDAERO CCCSCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864865 364544031 /nfs/dbraw/zinc/54/40/31/364544031.db2.gz SIIATLKXIBITIJ-SNVBAGLBSA-N 1 0 230.377 1.292 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(C)n1 ZINC000170864867 364544829 /nfs/dbraw/zinc/54/48/29/364544829.db2.gz AJJVDGNEGJKEJE-LBPRGKRZSA-N 1 0 247.342 1.475 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CCOCC1 ZINC000390548704 541372578 /nfs/dbraw/zinc/37/25/78/541372578.db2.gz NTCARLYWZQVXDR-CYZMBNFOSA-N 1 0 227.348 1.695 10 0 BDAERO [NH3+]CCC(=O)OCCc1ccccc1F ZINC000077304507 181370359 /nfs/dbraw/zinc/37/03/59/181370359.db2.gz BNZSRXPVPXZHGW-UHFFFAOYSA-N 1 0 211.236 1.260 10 0 BDAERO CC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252648463 364724072 /nfs/dbraw/zinc/72/40/72/364724072.db2.gz VVXKNPZPIRRREB-WCQGTBRESA-N 1 0 210.321 1.132 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000081940756 541383395 /nfs/dbraw/zinc/38/33/95/541383395.db2.gz CFHSNURSOKBHJZ-DTWKUNHWSA-N 1 0 205.323 1.081 10 0 BDAERO CCCc1cc2n(n1)[C@@H]1CC[NH2+]C[C@@H]1CN2 ZINC000233379541 541394854 /nfs/dbraw/zinc/39/48/54/541394854.db2.gz ZTWOQNOUKFAWDI-MWLCHTKSSA-N 1 0 220.320 1.412 10 0 BDAERO CCc1nn2c(ncc3c2CC[NH2+]C3)c1C ZINC000234191611 541395548 /nfs/dbraw/zinc/39/55/48/541395548.db2.gz ICTNOSOJIFXOOK-UHFFFAOYSA-N 1 0 216.288 1.246 10 0 BDAERO [NH3+]CCCCCCC(=O)N1CCCC[C@@H]1CO ZINC000036135492 181373976 /nfs/dbraw/zinc/37/39/76/181373976.db2.gz WELKCDCJTYXUMO-GFCCVEGCSA-N 1 0 242.363 1.269 10 0 BDAERO C[C@@H]1CCC[C@H](C2C(=O)CCCC2=O)[NH2+]1 ZINC000230796317 541415091 /nfs/dbraw/zinc/41/50/91/541415091.db2.gz SCEBHFOCRNFOPY-RKDXNWHRSA-N 1 0 209.289 1.455 10 0 BDAERO [NH3+]CCCCCn1ncc2ccccc2c1=O ZINC000049580821 181376057 /nfs/dbraw/zinc/37/60/57/181376057.db2.gz UJLRPMLURRJJCF-UHFFFAOYSA-N 1 0 231.299 1.526 10 0 BDAERO C[C@]12CCCC[C@H]1CN2C(=O)[C@@H]1CC[NH2+]C1 ZINC000638754786 541410321 /nfs/dbraw/zinc/41/03/21/541410321.db2.gz ABMJQAHZHJOXJK-MDZLAQPJSA-N 1 0 222.332 1.387 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C=C[C@H]([NH3+])CC1 ZINC000150287300 541430027 /nfs/dbraw/zinc/43/00/27/541430027.db2.gz GDUXFJMJXLLJPW-DTWKUNHWSA-N 1 0 212.293 1.557 10 0 BDAERO CC(C)[C@@H](C)n1ncc2c1nc[nH+]c2NN ZINC000669377152 541436561 /nfs/dbraw/zinc/43/65/61/541436561.db2.gz HJTXWVYVYOXTBB-SSDOTTSWSA-N 1 0 220.280 1.329 10 0 BDAERO CC(C)(C)C(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125040457 541449986 /nfs/dbraw/zinc/44/99/86/541449986.db2.gz LSVVUFUOFCSVOZ-JTQLQIEISA-N 1 0 212.337 1.762 10 0 BDAERO [NH3+]CCCNc1ncccc1Br ZINC000042375938 181383138 /nfs/dbraw/zinc/38/31/38/181383138.db2.gz NFAVNQTYKQRGMB-UHFFFAOYSA-N 1 0 230.109 1.605 10 0 BDAERO [NH3+]CCCNc1ccc2c(c1)CCC(=O)N2 ZINC000082597837 181383375 /nfs/dbraw/zinc/38/33/75/181383375.db2.gz HCVGTCIPRXIQKV-UHFFFAOYSA-N 1 0 219.288 1.332 10 0 BDAERO [NH3+]CCCNc1ccc(F)c(F)c1F ZINC000061837894 181383472 /nfs/dbraw/zinc/38/34/72/181383472.db2.gz AWTFDHPCBDJJTO-UHFFFAOYSA-N 1 0 204.195 1.865 10 0 BDAERO NC(=O)c1cnc2ccccc2c1NCCC[NH3+] ZINC000051355110 181383508 /nfs/dbraw/zinc/38/35/08/181383508.db2.gz SYMIYKQCNPHNKO-UHFFFAOYSA-N 1 0 244.298 1.094 10 0 BDAERO [NH3+]CCCOc1cc2ccccc2c(=O)o1 ZINC000003798888 181384441 /nfs/dbraw/zinc/38/44/41/181384441.db2.gz JUEYYEHMKYJMAM-UHFFFAOYSA-N 1 0 219.240 1.521 10 0 BDAERO [NH3+]CCCS(=O)(=O)CCCc1ccccc1 ZINC000058250730 181384865 /nfs/dbraw/zinc/38/48/65/181384865.db2.gz MWJMBEZSPRHREC-UHFFFAOYSA-N 1 0 241.356 1.383 10 0 BDAERO [NH3+]CCCOc1cc(Br)ccn1 ZINC000091364414 181384969 /nfs/dbraw/zinc/38/49/69/181384969.db2.gz XQHRJIGIYZYRQN-UHFFFAOYSA-N 1 0 231.093 1.572 10 0 BDAERO [NH3+]CCC[C@H]1CCCN1c1ccccn1 ZINC000082594032 181385758 /nfs/dbraw/zinc/38/57/58/181385758.db2.gz DQNVGBSPCZRQQF-NSHDSACASA-N 1 0 205.305 1.789 10 0 BDAERO [NH3+]CCC[S@](=O)c1ccc2c(c1)CCC2 ZINC000040954835 181386063 /nfs/dbraw/zinc/38/60/63/181386063.db2.gz ALWCLIPVMYLTIM-OAHLLOKOSA-N 1 0 223.341 1.632 10 0 BDAERO [NH3+]CCCc1nc(CCc2ccccc2)n[nH]1 ZINC000061844209 181387734 /nfs/dbraw/zinc/38/77/34/181387734.db2.gz ZEMXESBEFNGLCS-UHFFFAOYSA-N 1 0 230.315 1.481 10 0 BDAERO [NH3+]CCCc1noc(-c2ccccn2)n1 ZINC000019682233 181388048 /nfs/dbraw/zinc/38/80/48/181388048.db2.gz XQAFSVKEKBOQKR-UHFFFAOYSA-N 1 0 204.233 1.023 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccc(F)cn2)o1 ZINC000083351746 181388116 /nfs/dbraw/zinc/38/81/16/181388116.db2.gz RBISRHPRNFTRRE-UHFFFAOYSA-N 1 0 222.223 1.162 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccccn2)o1 ZINC000011585899 181388126 /nfs/dbraw/zinc/38/81/26/181388126.db2.gz HNWARFDSLBHWBV-UHFFFAOYSA-N 1 0 204.233 1.023 10 0 BDAERO [NH3+]CCCc1noc(Cc2ccccc2)n1 ZINC000019682285 181388313 /nfs/dbraw/zinc/38/83/13/181388313.db2.gz PXSSUOJBBABIAR-UHFFFAOYSA-N 1 0 217.272 1.552 10 0 BDAERO [NH3+]CCN(C(=O)C1CC1)C1CCCCC1 ZINC000020183516 181390289 /nfs/dbraw/zinc/39/02/89/181390289.db2.gz FQLIYEJOLQYQFU-UHFFFAOYSA-N 1 0 210.321 1.516 10 0 BDAERO [NH3+]CCNC(=O)c1csc2ccccc12 ZINC000042890426 181395435 /nfs/dbraw/zinc/39/54/35/181395435.db2.gz ZLIVREHYHGJMBG-UHFFFAOYSA-N 1 0 220.297 1.590 10 0 BDAERO NCC[NH2+]CCSC1CCCCC1 ZINC000084581772 181396904 /nfs/dbraw/zinc/39/69/04/181396904.db2.gz XJJRQEOTRRGCKG-UHFFFAOYSA-N 1 0 202.367 1.601 10 0 BDAERO [NH3+]CCOCCOc1ccc2c(c1)CCC2 ZINC000020221440 181398872 /nfs/dbraw/zinc/39/88/72/181398872.db2.gz MHHWJXJJJNOROI-UHFFFAOYSA-N 1 0 221.300 1.529 10 0 BDAERO [NH3+]CCOc1c(F)cc(F)c(F)c1F ZINC000075880701 181398992 /nfs/dbraw/zinc/39/89/92/181398992.db2.gz GCDLMAWKWLFYIU-UHFFFAOYSA-N 1 0 209.142 1.581 10 0 BDAERO [NH3+]CCOCCNc1cnc2ccccc2n1 ZINC000104318285 181399426 /nfs/dbraw/zinc/39/94/26/181399426.db2.gz PSGJOQCLUKJYGJ-UHFFFAOYSA-N 1 0 232.287 1.017 10 0 BDAERO [NH3+]CCOCCOc1ccc(F)cc1Cl ZINC000041262124 181399542 /nfs/dbraw/zinc/39/95/42/181399542.db2.gz SYNDHAKAGWMSNF-UHFFFAOYSA-N 1 0 233.670 1.833 10 0 BDAERO [NH3+]CCOc1ccc(Nc2ncccn2)cc1 ZINC000082656644 181399908 /nfs/dbraw/zinc/39/99/08/181399908.db2.gz AUQGACUHJRHWDP-UHFFFAOYSA-N 1 0 230.271 1.558 10 0 BDAERO [NH3+]CCOc1ncccc1Br ZINC000051870364 181399943 /nfs/dbraw/zinc/39/99/43/181399943.db2.gz LBIGOGHDFQCOCO-UHFFFAOYSA-N 1 0 217.066 1.182 10 0 BDAERO [NH3+]CC[C@@H](O)c1cc(Cl)ccc1F ZINC000083264757 181402239 /nfs/dbraw/zinc/40/22/39/181402239.db2.gz PUAGLGLIXOUFKK-SECBINFHSA-N 1 0 203.644 1.861 10 0 BDAERO [NH3+]CC[C@H]1C(=O)Nc2cc(Cl)ccc21 ZINC000105381355 181408783 /nfs/dbraw/zinc/40/87/83/181408783.db2.gz FJXQSTZTBHYJPM-MRVPVSSYSA-N 1 0 210.664 1.725 10 0 BDAERO [NH3+]CC[C@@H]1C(=O)Nc2cccc(Cl)c21 ZINC000105381366 181404553 /nfs/dbraw/zinc/40/45/53/181404553.db2.gz GUVPVVVFHBKFLS-LURJTMIESA-N 1 0 210.664 1.725 10 0 BDAERO [NH3+]CCc1cnoc1-c1ccc(O)cc1 ZINC000096034718 181413031 /nfs/dbraw/zinc/41/30/31/181413031.db2.gz CCNUHCAMUCFARV-UHFFFAOYSA-N 1 0 204.229 1.548 10 0 BDAERO [NH3+]CCc1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000053994555 181414056 /nfs/dbraw/zinc/41/40/56/181414056.db2.gz FGUQHXMEBRTVKS-NSHDSACASA-N 1 0 245.326 1.717 10 0 BDAERO [NH3+]CCc1nc(-c2c(F)cccc2F)c[nH]1 ZINC000036876273 181414302 /nfs/dbraw/zinc/41/43/02/181414302.db2.gz OQAFBHLWRPSOIB-UHFFFAOYSA-N 1 0 223.226 1.856 10 0 BDAERO [NH3+]CCn1nnnc1-c1c(F)cccc1Cl ZINC000052903524 181416526 /nfs/dbraw/zinc/41/65/26/181416526.db2.gz OYZAMNFSFLLREL-UHFFFAOYSA-N 1 0 241.657 1.091 10 0 BDAERO CCCC(=O)N[C@H]1CCC[N@H+](CCSC)C1 ZINC000171352316 365192505 /nfs/dbraw/zinc/19/25/05/365192505.db2.gz PXGLQMPKRWQRNF-NSHDSACASA-N 1 0 244.404 1.730 10 0 BDAERO CCc1cnc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000576044404 365460977 /nfs/dbraw/zinc/46/09/77/365460977.db2.gz SGBPNIYXXACTFP-MVWJERBFSA-N 1 0 235.331 1.406 10 0 BDAERO CC1(C)CCC(O)(C(F)(F)CN)CC1 ZINC000675074324 541467521 /nfs/dbraw/zinc/46/75/21/541467521.db2.gz UDQJXNRYTGWUBN-UHFFFAOYSA-N 1 0 207.264 1.912 10 0 BDAERO [NH3+]Cc1nc(CN2CCCCCC2)cs1 ZINC000032015107 541501215 /nfs/dbraw/zinc/50/12/15/541501215.db2.gz YOECCPJYMVDKDV-UHFFFAOYSA-N 1 0 225.361 1.978 10 0 BDAERO CCc1cn2c([nH+]1)NCC[C@@H]2[C@@H]1CCOC1 ZINC000234197507 541512373 /nfs/dbraw/zinc/51/23/73/541512373.db2.gz CYCCYQZKGPMCID-MWLCHTKSSA-N 1 0 221.304 1.839 10 0 BDAERO CCCCc1cc2nccc(C[NH3+])n2n1 ZINC000233006940 541508887 /nfs/dbraw/zinc/50/88/87/541508887.db2.gz CZIGVVKFMUAWJM-UHFFFAOYSA-N 1 0 204.277 1.531 10 0 BDAERO CC1(C)CN(C[C@@H]2CC[NH2+]2)CC(C)(C)O1 ZINC000384823140 541515861 /nfs/dbraw/zinc/51/58/61/541515861.db2.gz SINHZBSCJPKBFE-JTQLQIEISA-N 1 0 212.337 1.238 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000381485104 367416409 /nfs/dbraw/zinc/41/64/09/367416409.db2.gz UXIVYLCEYHQVBE-FRRDWIJNSA-N 1 0 229.364 1.920 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CO)C12CCC2 ZINC000382001267 367476700 /nfs/dbraw/zinc/47/67/00/367476700.db2.gz JRXSQBXKDLMMKT-WHOHXGKFSA-N 1 0 225.332 1.305 10 0 BDAERO CC1CC(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000381594509 367434277 /nfs/dbraw/zinc/43/42/77/367434277.db2.gz KWNYBODHZPYSEY-YIYTYNFBSA-N 1 0 210.321 1.147 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](SC)C1 ZINC000382921901 367566543 /nfs/dbraw/zinc/56/65/43/367566543.db2.gz IMJHGMVVZZOXOX-VHSXEESVSA-N 1 0 203.351 1.585 10 0 BDAERO CC[C@@](C)(O)C[N@H+](C)CCCOC(C)C ZINC000382773080 367555234 /nfs/dbraw/zinc/55/52/34/367555234.db2.gz BDXFHOGTIVFHON-GFCCVEGCSA-N 1 0 217.353 1.894 10 0 BDAERO CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H]1C[C@H]1CO ZINC000382216384 367499659 /nfs/dbraw/zinc/49/96/59/367499659.db2.gz LXPVSHVSZOKMDJ-MROQNXINSA-N 1 0 209.333 1.949 10 0 BDAERO CC1CC(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000581483429 367514505 /nfs/dbraw/zinc/51/45/05/367514505.db2.gz LUZZEYHIKKMGOF-JDSXPTGVSA-N 1 0 222.332 1.228 10 0 BDAERO CC1CC(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000581483430 367514806 /nfs/dbraw/zinc/51/48/06/367514806.db2.gz LUZZEYHIKKMGOF-PGTPCPKXSA-N 1 0 222.332 1.228 10 0 BDAERO C[NH2+][C@@H]1CCN([C@H]2CS[C@H](C)C2)C1 ZINC000252692059 367597839 /nfs/dbraw/zinc/59/78/39/367597839.db2.gz ZWHJYKRSSUPPRO-OPRDCNLKSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@H]1CN(C(=O)[C@H]2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000383164064 367602439 /nfs/dbraw/zinc/60/24/39/367602439.db2.gz JMCMMGHGOQNODG-NOOOWODRSA-N 1 0 224.348 1.618 10 0 BDAERO CC(C)OCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000383363285 367616698 /nfs/dbraw/zinc/61/66/98/367616698.db2.gz DYVPRCHRYDKLAR-RYUDHWBXSA-N 1 0 242.363 1.306 10 0 BDAERO Cc1ccnc(N[C@H](CC[NH3+])C(F)F)c1 ZINC000383531371 367634985 /nfs/dbraw/zinc/63/49/85/367634985.db2.gz ZAGJXIFKTDWRIY-MRVPVSSYSA-N 1 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215.337 1.288 10 0 BDAERO OC[C@@H]([NH2+]C1CCC(O)CC1)C1CCCCC1 ZINC000386325973 367952384 /nfs/dbraw/zinc/95/23/84/367952384.db2.gz ZGDKVKFEWVFDFE-JXQTWKCFSA-N 1 0 241.375 1.821 10 0 BDAERO Cc1cnc(N[C@H](C)[C@@H]2CCC[NH2+]C2)nc1C ZINC000386609329 368001128 /nfs/dbraw/zinc/00/11/28/368001128.db2.gz BKMWZRIHDSWACB-VXGBXAGGSA-N 1 0 234.347 1.893 10 0 BDAERO Cc1cnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc1C ZINC000386509041 367982880 /nfs/dbraw/zinc/98/28/80/367982880.db2.gz VPHDGDNRAHTDCW-VXGBXAGGSA-N 1 0 232.331 1.282 10 0 BDAERO C[C@@H]1CN([C@H](C[NH3+])C2CC2)CCS1 ZINC000252978915 368176399 /nfs/dbraw/zinc/17/63/99/368176399.db2.gz FFVNHCJMHCXSPS-PSASIEDQSA-N 1 0 200.351 1.161 10 0 BDAERO C[N@H+](C1CCC1)[C@H]1CC2(CC[C@H]1O)OCCO2 ZINC000252982513 368178068 /nfs/dbraw/zinc/17/80/68/368178068.db2.gz WTBDBULBRPRNIK-NWDGAFQWSA-N 1 0 241.331 1.127 10 0 BDAERO [NH3+]CCn1nc(C(F)(F)F)c2c1CCCC2 ZINC000115015058 368305149 /nfs/dbraw/zinc/30/51/49/368305149.db2.gz FSNKWWZHCIALDN-UHFFFAOYSA-N 1 0 233.237 1.739 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BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC[C@@H]1CC1(F)F ZINC000621674003 370425365 /nfs/dbraw/zinc/42/53/65/370425365.db2.gz KSDAWRBOVMZGTD-IVZWLZJFSA-N 1 0 246.301 1.523 10 0 BDAERO Cc1nc(C)c(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)o1 ZINC000311773819 370432735 /nfs/dbraw/zinc/43/27/35/370432735.db2.gz HSQBBCRYFIXDTL-UWVGGRQHSA-N 1 0 237.303 1.035 10 0 BDAERO CN1C(=[NH2+])NC[C@H]1c1cccc(Cl)c1 ZINC000027708565 370395806 /nfs/dbraw/zinc/39/58/06/370395806.db2.gz DEJYHIWDHBYRMB-VIFPVBQESA-N 1 0 209.680 1.641 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC[C@H]2CC2(F)F)C1 ZINC000621671612 370419600 /nfs/dbraw/zinc/41/96/00/370419600.db2.gz YTPFUNAZBCIMPE-XHNCKOQMSA-N 1 0 232.274 1.275 10 0 BDAERO Cc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)ccn1 ZINC000621776560 370524431 /nfs/dbraw/zinc/52/44/31/370524431.db2.gz ONLKCGPVGCIBDT-CABZTGNLSA-N 1 0 205.305 1.169 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000078516255 370570595 /nfs/dbraw/zinc/57/05/95/370570595.db2.gz GDPVXTWTXKEHQT-GXTWGEPZSA-N 1 0 249.358 1.453 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000082491234 371002666 /nfs/dbraw/zinc/00/26/66/371002666.db2.gz NGFTUEBFPGIXBM-NSHDSACASA-N 1 0 240.372 1.558 10 0 BDAERO [NH3+]Cc1occc1COc1cccnc1 ZINC000052646493 181509080 /nfs/dbraw/zinc/50/90/80/181509080.db2.gz LHJGIZYBBOOHHK-UHFFFAOYSA-N 1 0 204.229 1.712 10 0 BDAERO c1snnc1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328652633 371135372 /nfs/dbraw/zinc/13/53/72/371135372.db2.gz WNVCNRZZSAICBX-VIFPVBQESA-N 1 0 238.360 1.255 10 0 BDAERO CC[C@@H](O)C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328654130 371136056 /nfs/dbraw/zinc/13/60/56/371136056.db2.gz XFYROQFEOWUEDF-VXGBXAGGSA-N 1 0 237.347 1.148 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCCO1 ZINC000623899921 371146750 /nfs/dbraw/zinc/14/67/50/371146750.db2.gz XYGHIMYYXLYBMX-CYDGBPFRSA-N 1 0 227.348 1.695 10 0 BDAERO COc1cccc([C@H](CO)[NH2+]CCSC)c1 ZINC000390430081 371201514 /nfs/dbraw/zinc/20/15/14/371201514.db2.gz OUBNQISGUPVVBQ-LBPRGKRZSA-N 1 0 241.356 1.681 10 0 BDAERO 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CC[C@H](C)[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624235284 371422513 /nfs/dbraw/zinc/42/25/13/371422513.db2.gz HTHZPUFEJXEUQK-XWLWVQCSSA-N 1 0 201.310 1.160 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000624234972 371422649 /nfs/dbraw/zinc/42/26/49/371422649.db2.gz AFZYCAXESCQJND-HZSPNIEDSA-N 1 0 233.311 1.413 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccco1 ZINC000624235484 371423213 /nfs/dbraw/zinc/42/32/13/371423213.db2.gz KYSHWXUPYWNRPK-GUBZILKMSA-N 1 0 211.261 1.080 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccoc1 ZINC000624236432 371423744 /nfs/dbraw/zinc/42/37/44/371423744.db2.gz CGYHSLCGPOTUQC-LSJOCFKGSA-N 1 0 211.261 1.080 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C[C@H]1C ZINC000624237678 371426121 /nfs/dbraw/zinc/42/61/21/371426121.db2.gz BHURMPYLADJKTC-LBELIVKGSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624237969 371426394 /nfs/dbraw/zinc/42/63/94/371426394.db2.gz HZIKUTIQNQNUTL-WYUUTHIRSA-N 1 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207.277 1.120 10 0 BDAERO Cc1nsc(O[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000131731279 371661892 /nfs/dbraw/zinc/66/18/92/371661892.db2.gz FBYROQZGXXBHTJ-HTQZYQBOSA-N 1 0 213.306 1.495 10 0 BDAERO [NH3+][C@@H](CC1CCOCC1)c1cnns1 ZINC000162523502 371705203 /nfs/dbraw/zinc/70/52/03/371705203.db2.gz DHLLPVGEYQVCLS-QMMMGPOBSA-N 1 0 213.306 1.355 10 0 BDAERO Cc1ccc(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)s1 ZINC000226644823 371714630 /nfs/dbraw/zinc/71/46/30/371714630.db2.gz JOFUVGUNFSHYGC-BDAKNGLRSA-N 1 0 225.313 1.746 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCC(C)(C)C1 ZINC000226660114 371718128 /nfs/dbraw/zinc/71/81/28/371718128.db2.gz ZPQQRYHCXCQIBZ-NXEZZACHSA-N 1 0 214.378 1.422 10 0 BDAERO Nc1nc2ccccc2nc1O[C@@H]1CCC[NH2+]C1 ZINC000095072179 181794039 /nfs/dbraw/zinc/79/40/39/181794039.db2.gz FSJMSRISDIGUQB-SECBINFHSA-N 1 0 244.298 1.343 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)Cc1ccccc1 ZINC000226682846 371722832 /nfs/dbraw/zinc/72/28/32/371722832.db2.gz BMLSTCQQEMCJRC-CMPLNLGQSA-N 1 0 203.285 1.796 10 0 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[NH3+][C@@H]1CCC[C@H]1[S@@](=O)c1cccs1 ZINC000227020667 371767796 /nfs/dbraw/zinc/76/77/96/371767796.db2.gz HSRQOOJSYUYSPY-OTPXZMOZSA-N 1 0 215.343 1.736 10 0 BDAERO O=C1CCC[C@H]1C[N@H+]1CCC[C@@H](CO)C1 ZINC000227049567 371773444 /nfs/dbraw/zinc/77/34/44/371773444.db2.gz DKNJIDIUTOYUCN-MNOVXSKESA-N 1 0 211.305 1.060 10 0 BDAERO Nc1[nH+]ccn1Cc1ccc(F)c(F)c1 ZINC000037483185 181803161 /nfs/dbraw/zinc/80/31/61/181803161.db2.gz NOLDEWGMTRKCIO-UHFFFAOYSA-N 1 0 209.199 1.792 10 0 BDAERO C[C@H]1SCCN(CC2([NH3+])CC2)[C@@H]1C ZINC000132489224 371835626 /nfs/dbraw/zinc/83/56/26/371835626.db2.gz NTNNFRURRBHVQK-RKDXNWHRSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@@H]1C[NH2+]C[C@]2(C1)N[C@@H](C)CCS2 ZINC000401702760 371801760 /nfs/dbraw/zinc/80/17/60/371801760.db2.gz PQJXLFWECNNQLK-LPEHRKFASA-N 1 0 200.351 1.427 10 0 BDAERO C[C@H]1SCCN(C[C@@H]2CCC[NH2+]2)[C@@H]1C ZINC000132418957 371817106 /nfs/dbraw/zinc/81/71/06/371817106.db2.gz VKYNELDQTNXFGW-MXWKQRLJSA-N 1 0 214.378 1.564 10 0 BDAERO C[C@H]([NH3+])C(C)(C)CN1CCOC[C@@H]1C ZINC000227287142 371824215 /nfs/dbraw/zinc/82/42/15/371824215.db2.gz AYBBVWBSYAUWMU-UWVGGRQHSA-N 1 0 200.326 1.081 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2ccnc(F)c2)C1 ZINC000227643766 371913038 /nfs/dbraw/zinc/91/30/38/371913038.db2.gz BSLZQVWCGKERCA-JTQLQIEISA-N 1 0 209.268 1.361 10 0 BDAERO CCC[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000227678843 371920297 /nfs/dbraw/zinc/92/02/97/371920297.db2.gz DGJFUAYQGBVPJT-VIFPVBQESA-N 1 0 216.325 1.899 10 0 BDAERO NNc1cc(Sc2ncns2)cc[nH+]1 ZINC000227685606 371922412 /nfs/dbraw/zinc/92/24/12/371922412.db2.gz GXDRHKQMZJUMBY-UHFFFAOYSA-N 1 0 225.302 1.370 10 0 BDAERO C[C@@H]1CN(c2nc(Cl)cs2)[C@H](C)C[NH2+]1 ZINC000163101887 371929082 /nfs/dbraw/zinc/92/90/82/371929082.db2.gz UXHZTFMHBWFFIY-RNFRBKRXSA-N 1 0 231.752 1.983 10 0 BDAERO C[NH2+][C@H](c1nccn1C)[C@H]1CCSC1 ZINC000163112550 371931571 /nfs/dbraw/zinc/93/15/71/371931571.db2.gz BKWPFOVXPXURSW-IUCAKERBSA-N 1 0 211.334 1.434 10 0 BDAERO CC[C@H]1CN(C2(C[NH3+])CCC2)CCS1 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O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CCCC[NH2+]1 ZINC000041265371 183185404 /nfs/dbraw/zinc/18/54/04/183185404.db2.gz DZSWSORCZGYERZ-GWCFXTLKSA-N 1 0 235.283 1.591 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000033465357 183185830 /nfs/dbraw/zinc/18/58/30/183185830.db2.gz XBMLDFPPZMYVLY-GWCFXTLKSA-N 1 0 235.283 1.243 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000309555105 183187725 /nfs/dbraw/zinc/18/77/25/183187725.db2.gz HGICXEAGLCDGRI-YNEHKIRRSA-N 1 0 227.348 1.554 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000049565157 183189234 /nfs/dbraw/zinc/18/92/34/183189234.db2.gz MKOUVNVKRMHDPW-XJFOESAGSA-N 1 0 238.375 1.506 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000038059359 183189319 /nfs/dbraw/zinc/18/93/19/183189319.db2.gz WMOBWENVSPAYPT-NWDGAFQWSA-N 1 0 209.289 1.715 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000082599700 183195097 /nfs/dbraw/zinc/19/50/97/183195097.db2.gz DKPDTZCJDLAZTM-NWDGAFQWSA-N 1 0 227.254 1.968 10 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O[C@H]1CC[NH2+]C[C@@H]1Cc1ccccc1Cl ZINC000071532574 183241552 /nfs/dbraw/zinc/24/15/52/183241552.db2.gz IKZIAXAHJHHGMT-JQWIXIFHSA-N 1 0 225.719 1.853 10 0 BDAERO O[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000095347426 183242708 /nfs/dbraw/zinc/24/27/08/183242708.db2.gz QVQHJPYWCKXTFP-MCIONIFRSA-N 1 0 217.312 1.889 10 0 BDAERO CCCN(CC)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000037095325 169116322 /nfs/dbraw/zinc/11/63/22/169116322.db2.gz GPZPIGKHHYYICF-GHMZBOCLSA-N 1 0 212.337 1.633 10 0 BDAERO O[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CCSC1 ZINC000336685888 183252206 /nfs/dbraw/zinc/25/22/06/183252206.db2.gz SPLAUIFCEYQTJM-UTUOFQBUSA-N 1 0 247.379 1.972 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000037490647 183234526 /nfs/dbraw/zinc/23/45/26/183234526.db2.gz KVFVRMMDAZOATM-NEPJUHHUSA-N 1 0 206.289 1.475 10 0 BDAERO Oc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000021051768 183265772 /nfs/dbraw/zinc/26/57/72/183265772.db2.gz WDEGFJPQJFUDLZ-JTQLQIEISA-N 1 0 245.282 1.909 10 0 BDAERO Oc1ccc(CNC2=[NH+]CCS2)cc1 ZINC000083345491 183269236 /nfs/dbraw/zinc/26/92/36/183269236.db2.gz HGHAVZZKOKBZND-UHFFFAOYSA-N 1 0 208.286 1.585 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C1CCC(O)CC1 ZINC000019918952 183281813 /nfs/dbraw/zinc/28/18/13/183281813.db2.gz LREASAYTFGVWAQ-ZPPKWKGLSA-N 1 0 249.310 1.719 10 0 BDAERO O=c1ccnc(SC[C@H]2CCCC[NH2+]2)[nH]1 ZINC000043495319 183305801 /nfs/dbraw/zinc/30/58/01/183305801.db2.gz YLIZBGDCPQDBCV-MRVPVSSYSA-N 1 0 225.317 1.416 10 0 BDAERO CCCN(CC[NH2+]C)Cc1cn2ccccc2n1 ZINC000042404121 169159868 /nfs/dbraw/zinc/15/98/68/169159868.db2.gz NNAGCSQEZDQOKQ-UHFFFAOYSA-N 1 0 246.358 1.766 10 0 BDAERO S=c1cccc2n1C[C@@H]1C[NH2+]C[C@H]2C1 ZINC000013519544 183314928 /nfs/dbraw/zinc/31/49/28/183314928.db2.gz SXRPRXJTRLBYNK-DTWKUNHWSA-N 1 0 206.314 1.924 10 0 BDAERO CCC[NH+]1CCC(N)(c2noc(CC)n2)CC1 ZINC000036762747 169186935 /nfs/dbraw/zinc/18/69/35/169186935.db2.gz DJKZXXDXVBAMLR-UHFFFAOYSA-N 1 0 238.335 1.292 10 0 BDAERO CCC[NH+]1CCC(NC(=O)n2ccnc2)CC1 ZINC000049559472 169188947 /nfs/dbraw/zinc/18/89/47/169188947.db2.gz IBPTVRJHRPXVTL-UHFFFAOYSA-N 1 0 236.319 1.315 10 0 BDAERO c1c[nH]c(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000117666838 183323581 /nfs/dbraw/zinc/32/35/81/183323581.db2.gz PXQUAGSAJOCJTQ-MRVPVSSYSA-N 1 0 218.260 1.532 10 0 BDAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCC(=O)[O-])C1 ZINC000037222242 169194263 /nfs/dbraw/zinc/19/42/63/169194263.db2.gz SAZNNVFHJMBVBI-VXGBXAGGSA-N 1 0 242.363 1.561 10 0 BDAERO CCC[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000105833581 169202923 /nfs/dbraw/zinc/20/29/23/169202923.db2.gz UMVAEOPDBAEZEX-LLVKDONJSA-N 1 0 200.326 1.049 10 0 BDAERO CCC[NH+]1CCN(c2ncc(C[NH3+])s2)CC1 ZINC000054863935 169204153 /nfs/dbraw/zinc/20/41/53/169204153.db2.gz WAJXUBDGUAQLET-UHFFFAOYSA-N 1 0 240.376 1.134 10 0 BDAERO c1cc(CN2CCOCC2)ccc1C[NH2+]C1CC1 ZINC000052377909 183344931 /nfs/dbraw/zinc/34/49/31/183344931.db2.gz RHYYEXAWFUXXID-UHFFFAOYSA-N 1 0 246.354 1.771 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1ccco1 ZINC000076584935 169232741 /nfs/dbraw/zinc/23/27/41/169232741.db2.gz RXUWHSIVLDPIHJ-SECBINFHSA-N 1 0 210.277 1.238 10 0 BDAERO c1cc(CNC2=[NH+]CCCS2)ccn1 ZINC000020586472 183348293 /nfs/dbraw/zinc/34/82/93/183348293.db2.gz PHKWOAFJASITGZ-UHFFFAOYSA-N 1 0 207.302 1.664 10 0 BDAERO c1cc(Cc2ncc(C[NH2+]C3CC3)cn2)ccn1 ZINC000054856306 183354732 /nfs/dbraw/zinc/35/47/32/183354732.db2.gz OXVREFFRTHTDSF-UHFFFAOYSA-N 1 0 240.310 1.714 10 0 BDAERO c1cc(OCC[C@H]2CCCC[NH2+]2)ccn1 ZINC000051870852 183358940 /nfs/dbraw/zinc/35/89/40/183358940.db2.gz BYZRQPRIAHLWLS-LLVKDONJSA-N 1 0 206.289 1.993 10 0 BDAERO CCC[NH2+]C1CCN(c2nccn2C)CC1 ZINC000050605017 169255317 /nfs/dbraw/zinc/25/53/17/169255317.db2.gz KCOXCMHQVYTUKN-UHFFFAOYSA-N 1 0 222.336 1.389 10 0 BDAERO CCC[NH2+]C1CCN(C(=O)NC(C)C)CC1 ZINC000037469283 169255427 /nfs/dbraw/zinc/25/54/27/169255427.db2.gz VJMXUYRRNXNUNS-UHFFFAOYSA-N 1 0 227.352 1.568 10 0 BDAERO CCC[NH2+]CCC(=O)c1ccc(F)c(N)c1 ZINC000098124919 169257538 /nfs/dbraw/zinc/25/75/38/169257538.db2.gz VIBDZJSPHQTBIE-UHFFFAOYSA-N 1 0 224.279 1.980 10 0 BDAERO CCC[NH2+]CCO[C@@H](C)C(=O)NC1CCCC1 ZINC000051844642 169260565 /nfs/dbraw/zinc/26/05/65/169260565.db2.gz BTVVVHSSYXAJJA-NSHDSACASA-N 1 0 242.363 1.450 10 0 BDAERO CCC[NH2+]C[C@@H]1CCCN(CC(=O)OCC)C1 ZINC000104412995 169262012 /nfs/dbraw/zinc/26/20/12/169262012.db2.gz SBYFRVZFJANYSH-LBPRGKRZSA-N 1 0 242.363 1.261 10 0 BDAERO CCC[NH2+]C[C@@H](O)COc1ccc(CC)cc1 ZINC000033466160 169262353 /nfs/dbraw/zinc/26/23/53/169262353.db2.gz KMKNIJXVRGNZII-CYBMUJFWSA-N 1 0 237.343 1.988 10 0 BDAERO c1cc2c(cc1[C@@H]1CC[NH2+]C1)OCCCO2 ZINC000049817230 183370851 /nfs/dbraw/zinc/37/08/51/183370851.db2.gz QGDFDEDKYOMWAQ-LLVKDONJSA-N 1 0 219.284 1.925 10 0 BDAERO c1cc([C@H]2C[NH2+]CCO2)cc2c1OCO2 ZINC000011803070 183371987 /nfs/dbraw/zinc/37/19/87/183371987.db2.gz XZGOKSASMPEZCS-LLVKDONJSA-N 1 0 207.229 1.076 10 0 BDAERO CCCNC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000035691025 169237591 /nfs/dbraw/zinc/23/75/91/169237591.db2.gz VLQSROOGWDHMKR-VIFPVBQESA-N 1 0 213.325 1.084 10 0 BDAERO CCCNC(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000035691101 169238859 /nfs/dbraw/zinc/23/88/59/169238859.db2.gz HQNWHLVDEHXTQW-VHSXEESVSA-N 1 0 213.325 1.226 10 0 BDAERO c1cc(NC2=[NH+]CCN2)cc2nsnc12 ZINC000145051533 183378155 /nfs/dbraw/zinc/37/81/55/183378155.db2.gz AWFJEBXBYLHEEZ-UHFFFAOYSA-N 1 0 219.273 1.062 10 0 BDAERO CCCNC(=O)[C@@H]([NH3+])CCc1ccccc1 ZINC000083350593 169243700 /nfs/dbraw/zinc/24/37/00/169243700.db2.gz LKRFDNJYZQZCSZ-LBPRGKRZSA-N 1 0 220.316 1.473 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccc(F)cc1 ZINC000076620304 169243871 /nfs/dbraw/zinc/24/38/71/169243871.db2.gz DYJPCPHOZCNBRY-LBPRGKRZSA-N 1 0 238.306 1.784 10 0 BDAERO CCCNC(=O)[C@H](CC[NH3+])c1ccc(F)cc1 ZINC000076620308 169248499 /nfs/dbraw/zinc/24/84/99/169248499.db2.gz DYJPCPHOZCNBRY-GFCCVEGCSA-N 1 0 238.306 1.784 10 0 BDAERO CCCNC(=O)[C@H](CC[NH3+])c1ccccc1 ZINC000076610033 169249027 /nfs/dbraw/zinc/24/90/27/169249027.db2.gz ANRSDZOMTNCLSI-GFCCVEGCSA-N 1 0 220.316 1.645 10 0 BDAERO CCC[NH2+]C[C@@H](CC)N(C)Cc1cnn(C)c1 ZINC000052570291 169262805 /nfs/dbraw/zinc/26/28/05/169262805.db2.gz LKPXYYJQTIMQCQ-CYBMUJFWSA-N 1 0 238.379 1.630 10 0 BDAERO CCC[NH2+][C@H](C(N)=O)c1ccc(CC)cc1 ZINC000037870139 169285513 /nfs/dbraw/zinc/28/55/13/169285513.db2.gz DSGHXCSJNJZGOL-LBPRGKRZSA-N 1 0 220.316 1.775 10 0 BDAERO CCC[NH2+][C@H](CCC)Cc1nc(COC)no1 ZINC000104156701 169288779 /nfs/dbraw/zinc/28/87/79/169288779.db2.gz ZXEGXFWBXCJIPL-SNVBAGLBSA-N 1 0 241.335 1.927 10 0 BDAERO CCC[NH2+]C[C@H](CC)N(C)Cc1cnn(C)c1 ZINC000052570292 169264028 /nfs/dbraw/zinc/26/40/28/169264028.db2.gz LKPXYYJQTIMQCQ-ZDUSSCGKSA-N 1 0 238.379 1.630 10 0 BDAERO c1ccc(CCC[NH2+]C[C@@H]2COCCO2)cc1 ZINC000037998124 183391498 /nfs/dbraw/zinc/39/14/98/183391498.db2.gz ZVYXFODGYJCLRH-CQSZACIVSA-N 1 0 235.327 1.624 10 0 BDAERO CCC[NH2+]Cc1cc(OCCOCC)ccn1 ZINC000051524254 169266981 /nfs/dbraw/zinc/26/69/81/169266981.db2.gz OIRUSEDSCMFRTD-UHFFFAOYSA-N 1 0 238.331 1.997 10 0 BDAERO c1ccc(CC[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019946269 183394596 /nfs/dbraw/zinc/39/45/96/183394596.db2.gz RYKDADOQKDFMEC-OAHLLOKOSA-N 1 0 230.355 1.913 10 0 BDAERO CCC[NH2+]Cc1nc2c(s1)CN(C)CC2 ZINC000053294574 169269447 /nfs/dbraw/zinc/26/94/47/169269447.db2.gz QXJWGXUOBIPWAX-UHFFFAOYSA-N 1 0 225.361 1.631 10 0 BDAERO CCC[NH2+]Cc1nnnn1-c1cccc(C)c1 ZINC000054744482 169269889 /nfs/dbraw/zinc/26/98/89/169269889.db2.gz JCLMYWZVAZPLKK-UHFFFAOYSA-N 1 0 231.303 1.470 10 0 BDAERO CCC[NH2+][C@@H](C(N)=O)c1ccc(NC(C)=O)cc1 ZINC000037946363 169273629 /nfs/dbraw/zinc/27/36/29/169273629.db2.gz IVKAVNXPHPQYOR-GFCCVEGCSA-N 1 0 249.314 1.171 10 0 BDAERO CCC[NH2+][C@@H](C)CN(C)Cc1ccncc1 ZINC000043894192 169274761 /nfs/dbraw/zinc/27/47/61/169274761.db2.gz GDZLNSWDARHQAY-LBPRGKRZSA-N 1 0 221.348 1.902 10 0 BDAERO CCC[NH2+][C@@H](COC)c1nccs1 ZINC000045206249 169279483 /nfs/dbraw/zinc/27/94/83/169279483.db2.gz XHIFXYJFZICCBW-QMMMGPOBSA-N 1 0 200.307 1.830 10 0 BDAERO CCC[NH2+][C@@H]1CCC[C@@H]1CN1CCO[C@H](C)C1 ZINC000053862064 169282283 /nfs/dbraw/zinc/28/22/83/169282283.db2.gz MUCQGGAWOISHPG-MGPQQGTHSA-N 1 0 240.391 1.875 10 0 BDAERO CCC[NH2+][C@@H]1CCN(CCc2ccncc2)C1=O ZINC000049648839 169282337 /nfs/dbraw/zinc/28/23/37/169282337.db2.gz SZHNJOVEPJIOJN-CYBMUJFWSA-N 1 0 247.342 1.225 10 0 BDAERO CCCOCCOC(=O)c1cccc(C[NH3+])c1 ZINC000104251521 169308585 /nfs/dbraw/zinc/30/85/85/169308585.db2.gz ZJCSIOBEBZWEPA-UHFFFAOYSA-N 1 0 237.299 1.729 10 0 BDAERO CCCO[C@H]1CCC[N@H+](C[C@@H](C)C(=O)OC)C1 ZINC000042423222 169312685 /nfs/dbraw/zinc/31/26/85/169312685.db2.gz VDLKCKKWXBSWDL-NEPJUHHUSA-N 1 0 243.347 1.687 10 0 BDAERO CCCOc1cc(CC[NH3+])ccc1OC ZINC000011798845 169315002 /nfs/dbraw/zinc/31/50/02/169315002.db2.gz FNJVZYHHLUKNOO-UHFFFAOYSA-N 1 0 209.289 1.985 10 0 BDAERO CCC[NH2+][C@H]1CCCc2nc(N)ncc21 ZINC000050101039 169291791 /nfs/dbraw/zinc/29/17/91/169291791.db2.gz UIRFBBHHDDSMKK-VIFPVBQESA-N 1 0 206.293 1.436 10 0 BDAERO CCC[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000049647562 169291793 /nfs/dbraw/zinc/29/17/93/169291793.db2.gz YLYQOXNMJWQBGK-ZDUSSCGKSA-N 1 0 232.327 1.787 10 0 BDAERO CCC[NH2+][C@H]1CCN(Cc2ccccn2)C1=O ZINC000049648530 169291983 /nfs/dbraw/zinc/29/19/83/169291983.db2.gz KSAANUOZINHCGH-LBPRGKRZSA-N 1 0 233.315 1.182 10 0 BDAERO CCC[NH2+][C@H]1CCN(c2cnn(C)c2)C[C@@H]1C ZINC000049711131 169292091 /nfs/dbraw/zinc/29/20/91/169292091.db2.gz PRWUGHMLTWJOPG-AAEUAGOBSA-N 1 0 236.363 1.635 10 0 BDAERO c1cnc(OCC[C@H]2CCCC[NH2+]2)nc1 ZINC000051871245 183483516 /nfs/dbraw/zinc/48/35/16/183483516.db2.gz LVGKDWRIRRCHGH-SNVBAGLBSA-N 1 0 207.277 1.388 10 0 BDAERO CCC[C@@H](C)C[NH2+]CCCC(=O)OC ZINC000037415771 169359302 /nfs/dbraw/zinc/35/93/02/169359302.db2.gz OCKOCMUFLAWRMB-SNVBAGLBSA-N 1 0 201.310 1.965 10 0 BDAERO c1cnc(COC[C@@H]2CCCC[NH2+]2)nc1 ZINC000054460877 183479478 /nfs/dbraw/zinc/47/94/78/183479478.db2.gz PKDOHKUKCDYZGO-JTQLQIEISA-N 1 0 207.277 1.135 10 0 BDAERO c1cncc(-c2nnc(CCC[NH2+]C3CC3)o2)c1 ZINC000050617566 183490035 /nfs/dbraw/zinc/49/00/35/183490035.db2.gz FUGTYSDGFCHKDN-UHFFFAOYSA-N 1 0 244.298 1.816 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000037798445 169388475 /nfs/dbraw/zinc/38/84/75/169388475.db2.gz PXATZROMGQTCGJ-VXGBXAGGSA-N 1 0 249.358 1.827 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000225505163 169391669 /nfs/dbraw/zinc/39/16/69/169391669.db2.gz PAYGHVJHCGHGIV-HBNTYKKESA-N 1 0 244.404 1.904 10 0 BDAERO Cc1noc(C)c1CN1C[C@H](F)C[C@@H]1C[NH3+] ZINC000396429946 259600768 /nfs/dbraw/zinc/60/07/68/259600768.db2.gz RBLSMTXIXHUSJY-NXEZZACHSA-N 1 0 227.283 1.163 10 0 BDAERO c1n[nH]cc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084775 183524622 /nfs/dbraw/zinc/52/46/22/183524622.db2.gz CXVPFSNLBJADEI-MRVPVSSYSA-N 1 0 233.275 1.002 10 0 BDAERO c1nc(CC[NH2+]CC2CCOCC2)cs1 ZINC000082626131 183528878 /nfs/dbraw/zinc/52/88/78/183528878.db2.gz IIYFZVWWXPMINL-UHFFFAOYSA-N 1 0 226.345 1.702 10 0 BDAERO c1nnc(CN2CCC[NH2+]CC2)n1C1CCCC1 ZINC000061145974 183552452 /nfs/dbraw/zinc/55/24/52/183552452.db2.gz VCTXLXYEONGARE-UHFFFAOYSA-N 1 0 249.362 1.189 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])CC12COC2 ZINC000096987269 166651583 /nfs/dbraw/zinc/65/15/83/166651583.db2.gz SJJAJFBYYNQAQQ-SECBINFHSA-N 1 0 242.319 1.114 10 0 BDAERO CCC[C@H](C)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336753941 169483285 /nfs/dbraw/zinc/48/32/85/169483285.db2.gz HDSMOBHUPOWPSI-DCAQKATOSA-N 1 0 212.337 1.679 10 0 BDAERO CCC[C@H](C)[NH2+]CCn1nc2ccccn2c1=O ZINC000053523199 169493192 /nfs/dbraw/zinc/49/31/92/169493192.db2.gz VHWALGKEKYASHJ-NSHDSACASA-N 1 0 248.330 1.274 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000224433072 134347117 /nfs/dbraw/zinc/34/71/17/134347117.db2.gz VUDCZPWLAVUMBF-QJPTWQEYSA-N 1 0 229.389 1.880 10 0 BDAERO CCN(CC[NH3+])c1cc(OC)ccc1OC ZINC000020240072 169839606 /nfs/dbraw/zinc/83/96/06/169839606.db2.gz DWNLXOURBCVFNT-UHFFFAOYSA-N 1 0 224.304 1.489 10 0 BDAERO CCCn1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cn1 ZINC000116913404 169620137 /nfs/dbraw/zinc/62/01/37/169620137.db2.gz NTCGIXAJQLPAFW-AAEUAGOBSA-N 1 0 237.347 1.950 10 0 BDAERO CCN(C(=O)c1cnoc1C)[C@@H]1CCC[NH2+]C1 ZINC000104328579 169661769 /nfs/dbraw/zinc/66/17/69/169661769.db2.gz GXLGNNBSTMLSQG-SNVBAGLBSA-N 1 0 237.303 1.197 10 0 BDAERO CCOC[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000226878513 134371322 /nfs/dbraw/zinc/37/13/22/134371322.db2.gz GRAVHIJTVGWPFJ-JHJVBQTASA-N 1 0 243.347 1.027 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCSC1 ZINC000409435278 383835361 /nfs/dbraw/zinc/83/53/61/383835361.db2.gz UBIUELBUAJWAAK-ZJUUUORDSA-N 1 0 228.361 1.092 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])CSc1nccn1C ZINC000087541237 383850969 /nfs/dbraw/zinc/85/09/69/383850969.db2.gz GBYVQOSADCROLU-BDAKNGLRSA-N 1 0 213.350 1.886 10 0 BDAERO c1ccc2c(c1)OC[C@@H]2[NH2+][C@@H]1CCOC1 ZINC000070068764 383858930 /nfs/dbraw/zinc/85/89/30/383858930.db2.gz WVGVSMMNJQMJBB-KOLCDFICSA-N 1 0 205.257 1.499 10 0 BDAERO Cc1ccc2c(c1)CN(CC(=[NH2+])NO)CCO2 ZINC000409434133 383829438 /nfs/dbraw/zinc/82/94/38/383829438.db2.gz ODOHPYXNPOOHCB-UHFFFAOYSA-N 1 0 235.287 1.145 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000227510052 134382501 /nfs/dbraw/zinc/38/25/01/134382501.db2.gz JAKFHCXPWCLKDX-XVSSEFHLSA-N 1 0 227.348 1.431 10 0 BDAERO CCc1ccc(C(=O)CN2CC[C@H]([NH3+])C2)cc1 ZINC000050242515 383985977 /nfs/dbraw/zinc/98/59/77/383985977.db2.gz XRXQUTJKHZYQAJ-ZDUSSCGKSA-N 1 0 232.327 1.465 10 0 BDAERO COC[C@@]1(C(=O)N2CCCCCC2)CCC[NH2+]1 ZINC000643613742 383994319 /nfs/dbraw/zinc/99/43/19/383994319.db2.gz BWEHGOFMIKQNIU-CYBMUJFWSA-N 1 0 240.347 1.158 10 0 BDAERO CC(C)[N@H+](C)C[C@@H](O)c1cccc(N)c1 ZINC000001846913 383939488 /nfs/dbraw/zinc/93/94/88/383939488.db2.gz XODLLHICFNHZSZ-GFCCVEGCSA-N 1 0 208.305 1.642 10 0 BDAERO Cc1nc(C(F)(F)F)n2c1C[NH2+]CC2 ZINC000089195619 383940571 /nfs/dbraw/zinc/94/05/71/383940571.db2.gz APNVZESAXVYING-UHFFFAOYSA-N 1 0 205.183 1.314 10 0 BDAERO C[NH+](C)CCOCn1cnc2ccccc21 ZINC000002009560 383944638 /nfs/dbraw/zinc/94/46/38/383944638.db2.gz DORUMEHKKLVHIC-UHFFFAOYSA-N 1 0 219.288 1.572 10 0 BDAERO c1nc(OCC[NH+]2CCCCC2)cc2c1CCN2 ZINC000089212438 383949535 /nfs/dbraw/zinc/94/95/35/383949535.db2.gz QSJYAMBVSPVACV-UHFFFAOYSA-N 1 0 247.342 1.914 10 0 BDAERO F[C@@H]1C[NH2+]CC[C@@H]1c1nccc2[nH]ccc21 ZINC000089220699 383950005 /nfs/dbraw/zinc/95/00/05/383950005.db2.gz GPYLMZSBWKILCQ-WCBMZHEXSA-N 1 0 219.263 1.978 10 0 BDAERO c1nnc([C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)[nH]1 ZINC000407948932 383964512 /nfs/dbraw/zinc/96/45/12/383964512.db2.gz BBOKPJNJCFSJRB-WDEREUQCSA-N 1 0 236.319 1.021 10 0 BDAERO O=C(Nc1ccc(F)cc1)[C@@H]1C[NH2+]CCOC1 ZINC000643614670 384016410 /nfs/dbraw/zinc/01/64/10/384016410.db2.gz GXLBHOQLZXHJCN-SECBINFHSA-N 1 0 238.262 1.000 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)c(C)c1 ZINC000643614815 384018529 /nfs/dbraw/zinc/01/85/29/384018529.db2.gz MLJFXBOHZUQRPV-LBPRGKRZSA-N 1 0 248.326 1.478 10 0 BDAERO [NH3+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000038003531 384053705 /nfs/dbraw/zinc/05/37/05/384053705.db2.gz SBTSIHJYRUKNJL-UHFFFAOYSA-N 1 0 218.178 1.646 10 0 BDAERO CCSc1nnc([C@@H](N)C(C)C)o1 ZINC000005907149 384138290 /nfs/dbraw/zinc/13/82/90/384138290.db2.gz ARVUJNOMWSWJRS-LURJTMIESA-N 1 0 201.295 1.837 10 0 BDAERO CCn1ccnc1Cn1cc([C@H]([NH3+])C(C)C)nn1 ZINC000302318256 384141415 /nfs/dbraw/zinc/14/14/15/384141415.db2.gz JGMVBOSVGMQSRU-GFCCVEGCSA-N 1 0 248.334 1.199 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2nc(C)cs2)c1 ZINC000117385469 384172272 /nfs/dbraw/zinc/17/22/72/384172272.db2.gz ADVVVBUBOWJUHM-UHFFFAOYSA-N 1 0 236.344 1.746 10 0 BDAERO CC[C@@H]([NH3+])c1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000304283693 384159092 /nfs/dbraw/zinc/15/90/92/384159092.db2.gz XUABCTSRYKDLRA-PSASIEDQSA-N 1 0 226.324 1.095 10 0 BDAERO CC[C@@H]([NH3+])c1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000304283696 384160810 /nfs/dbraw/zinc/16/08/10/384160810.db2.gz XUABCTSRYKDLRA-SCZZXKLOSA-N 1 0 226.324 1.095 10 0 BDAERO Cc1ccc2nc3n(c(=O)c2c1)CC[C@@H]3[NH3+] ZINC000072266487 384204732 /nfs/dbraw/zinc/20/47/32/384204732.db2.gz JLIOUVWAUXPQOJ-VIFPVBQESA-N 1 0 215.256 1.108 10 0 BDAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccnc1 ZINC000092737784 384191405 /nfs/dbraw/zinc/19/14/05/384191405.db2.gz XDXFEFIKOYJFQM-QWHCGFSZSA-N 1 0 249.358 1.453 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000282331597 384236873 /nfs/dbraw/zinc/23/68/73/384236873.db2.gz LPLMBHRYZGWZKD-WPRPVWTQSA-N 1 0 224.329 1.505 10 0 BDAERO CC(C)CCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000082559604 384236884 /nfs/dbraw/zinc/23/68/84/384236884.db2.gz HOYFOHLQSLZWIQ-MNOVXSKESA-N 1 0 212.337 1.394 10 0 BDAERO COC[C@@]1(C(=O)NCC2CCCC2)CCC[NH2+]1 ZINC000643634435 384209503 /nfs/dbraw/zinc/20/95/03/384209503.db2.gz JDJMLPVMOFUZBY-CYBMUJFWSA-N 1 0 240.347 1.061 10 0 BDAERO Cc1nc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cs1 ZINC000282281982 384211405 /nfs/dbraw/zinc/21/14/05/384211405.db2.gz IHJJZLHLDXBLDI-GMSGAONNSA-N 1 0 239.344 1.208 10 0 BDAERO COC[C@]1(C(=O)N(C)CCC(C)C)CCC[NH2+]1 ZINC000643634961 384212018 /nfs/dbraw/zinc/21/20/18/384212018.db2.gz PBUGSCXEYXDWGC-ZDUSSCGKSA-N 1 0 242.363 1.260 10 0 BDAERO CC[C@](C)(C[NH2+][C@H]1CCC(=O)N[C@H]1C)OC ZINC000319246817 384226082 /nfs/dbraw/zinc/22/60/82/384226082.db2.gz XOBFJCSDTLSYEE-JBLDHEPKSA-N 1 0 228.336 1.058 10 0 BDAERO C[C@H](C[NH2+][C@@H](C)c1ccccn1)N1CCOCC1 ZINC000158558023 384242671 /nfs/dbraw/zinc/24/26/71/384242671.db2.gz DVHJYDVMMNODAP-OLZOCXBDSA-N 1 0 249.358 1.453 10 0 BDAERO CC[C@H]([NH3+])CNc1ncnc2ccsc21 ZINC000082579300 384242885 /nfs/dbraw/zinc/24/28/85/384242885.db2.gz SWPKFFLPULFDRD-ZETCQYMHSA-N 1 0 222.317 1.841 10 0 BDAERO Cn1nnnc1C[NH2+]C1(C2CCC2)CCC1 ZINC000560603486 384253040 /nfs/dbraw/zinc/25/30/40/384253040.db2.gz ZMMDIUDRXYYRDB-UHFFFAOYSA-N 1 0 221.308 1.023 10 0 BDAERO CC[C@H](CSC)NC(=O)C1CC[NH2+]CC1 ZINC000163310816 384257988 /nfs/dbraw/zinc/25/79/88/384257988.db2.gz ZUAXXLHRIXWLMU-SNVBAGLBSA-N 1 0 230.377 1.244 10 0 BDAERO Cc1c(CNC[C@@H]2CCC[N@H+](C)C2)cnn1C ZINC000093650195 384258900 /nfs/dbraw/zinc/25/89/00/384258900.db2.gz LSJOTLMACFGLSW-LBPRGKRZSA-N 1 0 236.363 1.160 10 0 BDAERO C[C@H](N(C)C(=O)[C@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000643642171 384268048 /nfs/dbraw/zinc/26/80/48/384268048.db2.gz WJXBFTUKJHUVKP-QWRGUYRKSA-N 1 0 242.363 1.115 10 0 BDAERO Cc1cc(NC[C@H]2CCCC[C@H]2O)ncn1 ZINC000082997381 384274397 /nfs/dbraw/zinc/27/43/97/384274397.db2.gz JJUONEWWXYEEGN-GHMZBOCLSA-N 1 0 221.304 1.748 10 0 BDAERO CC(C)(C)N1CC[C@@]2(CCC[NH2+]C2)C1=O ZINC000044136463 384316349 /nfs/dbraw/zinc/31/63/49/384316349.db2.gz YSTADEBIQNUKKI-GFCCVEGCSA-N 1 0 210.321 1.387 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H](c2ccc(F)cc2)C1 ZINC000044135810 384316713 /nfs/dbraw/zinc/31/67/13/384316713.db2.gz SEOVEHYCJWRMKS-WDEREUQCSA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H](c2ccc(F)cc2)C1 ZINC000044135815 384317356 /nfs/dbraw/zinc/31/73/56/384317356.db2.gz SEOVEHYCJWRMKS-GHMZBOCLSA-N 1 0 237.274 1.692 10 0 BDAERO CN(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000043501401 384281124 /nfs/dbraw/zinc/28/11/24/384281124.db2.gz XXQITVYTKDYODP-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1nccs1 ZINC000282480192 384292056 /nfs/dbraw/zinc/29/20/56/384292056.db2.gz WUFIELGXASMWDL-CIUDSAMLSA-N 1 0 239.344 1.461 10 0 BDAERO Clc1ccc(SC2CC[NH2+]CC2)nn1 ZINC000095069980 384335381 /nfs/dbraw/zinc/33/53/81/384335381.db2.gz FOGMANLWMNBFRA-UHFFFAOYSA-N 1 0 229.736 1.974 10 0 BDAERO Clc1cc(SC[C@@H]2CC[NH2+]C2)ncn1 ZINC000095070455 384336445 /nfs/dbraw/zinc/33/64/45/384336445.db2.gz KLGKNELDMDHABE-SSDOTTSWSA-N 1 0 229.736 1.832 10 0 BDAERO Clc1nccc(CO[C@H]2CC[NH2+]C2)n1 ZINC000095070306 384336573 /nfs/dbraw/zinc/33/65/73/384336573.db2.gz QEJOCRFULBIPGN-QMMMGPOBSA-N 1 0 213.668 1.009 10 0 BDAERO Clc1ccc(CO[C@H]2CC[NH2+]C2)nn1 ZINC000095070493 384336696 /nfs/dbraw/zinc/33/66/96/384336696.db2.gz ZIDRHYVRMQBUKW-QMMMGPOBSA-N 1 0 213.668 1.009 10 0 BDAERO CN(CC(=O)c1ccco1)C[C@H]1CCC[NH2+]1 ZINC000095070995 384339228 /nfs/dbraw/zinc/33/92/28/384339228.db2.gz TZSYCMGMCAYJPL-SNVBAGLBSA-N 1 0 222.288 1.146 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)c1ncccc1O ZINC000095071092 384339293 /nfs/dbraw/zinc/33/92/93/384339293.db2.gz VGKSLDGMLGMNIL-SNVBAGLBSA-N 1 0 221.304 1.223 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)c1nc2ccccc2[nH]1 ZINC000095071120 384339376 /nfs/dbraw/zinc/33/93/76/384339376.db2.gz DJCXARHYAXJPAG-LLVKDONJSA-N 1 0 244.342 1.999 10 0 BDAERO CN(Cc1cnccn1)C[C@@H]1CCCC[NH2+]1 ZINC000095070878 384339420 /nfs/dbraw/zinc/33/94/20/384339420.db2.gz DRBDKFFIUJMCQO-NSHDSACASA-N 1 0 220.320 1.051 10 0 BDAERO Cc1ccc(N(C)C[C@@H]2CC[NH2+]C2)nc1 ZINC000095071208 384339442 /nfs/dbraw/zinc/33/94/42/384339442.db2.gz YXEHOIUSTPYSFF-LLVKDONJSA-N 1 0 205.305 1.436 10 0 BDAERO CSc1nccc(N2CCC[C@@H]2C[NH3+])n1 ZINC000095071847 384340787 /nfs/dbraw/zinc/34/07/87/384340787.db2.gz FGEKMMPLPKRVDW-MRVPVSSYSA-N 1 0 224.333 1.126 10 0 BDAERO CNc1nc2ccccc2nc1O[C@@H]1CC[NH2+]C1 ZINC000095071397 384341478 /nfs/dbraw/zinc/34/14/78/384341478.db2.gz MZBZHUAXPCHPHA-SECBINFHSA-N 1 0 244.298 1.412 10 0 BDAERO CSc1nccc(OCC2CC[NH2+]CC2)n1 ZINC000095071875 384341767 /nfs/dbraw/zinc/34/17/67/384341767.db2.gz DEEYLQTZQCPYOU-UHFFFAOYSA-N 1 0 239.344 1.577 10 0 BDAERO [NH3+]C[C@@H]1CCCN1c1nccc(Cl)n1 ZINC000095072591 384342957 /nfs/dbraw/zinc/34/29/57/384342957.db2.gz BVCMYNVWGYVJRW-ZETCQYMHSA-N 1 0 212.684 1.058 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCC(=O)c1ccco1 ZINC000095072256 384343354 /nfs/dbraw/zinc/34/33/54/384343354.db2.gz VTZMRTRKMYSPDY-UWVGGRQHSA-N 1 0 222.288 1.322 10 0 BDAERO [NH3+]C[C@H]1CCCN1Cc1ccnc(Cl)n1 ZINC000095072636 384343456 /nfs/dbraw/zinc/34/34/56/384343456.db2.gz HALDZWWDZQCPPB-SECBINFHSA-N 1 0 226.711 1.053 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](N=c2[nH]c3ccccc3o2)C1 ZINC000335583386 384345218 /nfs/dbraw/zinc/34/52/18/384345218.db2.gz WXARFDGSSKFHQN-ZJUUUORDSA-N 1 0 231.299 1.789 10 0 BDAERO [NH3+]CC1CCN(c2nccc(Cl)n2)CC1 ZINC000095072694 384346099 /nfs/dbraw/zinc/34/60/99/384346099.db2.gz WOFTYZIMONAJOL-UHFFFAOYSA-N 1 0 226.711 1.305 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000235341892 384352976 /nfs/dbraw/zinc/35/29/76/384352976.db2.gz BVGLJNADZNVVMB-GXSJLCMTSA-N 1 0 238.335 1.300 10 0 BDAERO FC(F)(F)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000095076939 384353865 /nfs/dbraw/zinc/35/38/65/384353865.db2.gz ULVKCBSIYPFORD-ZETCQYMHSA-N 1 0 208.227 1.723 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CC1CC1 ZINC000335593378 384358689 /nfs/dbraw/zinc/35/86/89/384358689.db2.gz GJMVSCXBGXHVFM-ONGXEEELSA-N 1 0 210.321 1.243 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ncnn1CC ZINC000300374692 384359608 /nfs/dbraw/zinc/35/96/08/384359608.db2.gz CDHHZVFENVNHSU-ZJUUUORDSA-N 1 0 208.309 1.576 10 0 BDAERO c1cnc2[nH]c(OCC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092489 384361034 /nfs/dbraw/zinc/36/10/34/384361034.db2.gz MQCRWJRAZCEFBJ-SNVBAGLBSA-N 1 0 246.314 1.726 10 0 BDAERO c1cnc(OCCC[C@@H]2CCC[NH2+]C2)cn1 ZINC000095092524 384362223 /nfs/dbraw/zinc/36/22/23/384362223.db2.gz CRWHLXYBABPSLT-NSHDSACASA-N 1 0 221.304 1.635 10 0 BDAERO c1cnc(OCCCC2CC[NH2+]CC2)cn1 ZINC000095092526 384362327 /nfs/dbraw/zinc/36/23/27/384362327.db2.gz AATGTUWVGPNKBS-UHFFFAOYSA-N 1 0 221.304 1.635 10 0 BDAERO c1cnc2[nH]c(OC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092675 384362649 /nfs/dbraw/zinc/36/26/49/384362649.db2.gz RNQOOYUFFYEJCA-SECBINFHSA-N 1 0 232.287 1.479 10 0 BDAERO c1cnc2[nH]c(OCC3CC[NH2+]CC3)nc2c1 ZINC000095092682 384363363 /nfs/dbraw/zinc/36/33/63/384363363.db2.gz VDGDZZCFKIGQJH-UHFFFAOYSA-N 1 0 232.287 1.336 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2CC1 ZINC000059825422 384367779 /nfs/dbraw/zinc/36/77/79/384367779.db2.gz BQMAENMWXMYUEV-GHMZBOCLSA-N 1 0 240.347 1.853 10 0 BDAERO Cc1ccc([S@@](=O)[C@H]2CCC[NH2+]C2)nc1 ZINC000095069048 384332942 /nfs/dbraw/zinc/33/29/42/384332942.db2.gz MTKNDDTUDNCKPO-ZUZCIYMTSA-N 1 0 224.329 1.250 10 0 BDAERO CO[C@H](CN1CC[NH2+]CC1)c1ccc(C)cc1 ZINC000095908441 384404885 /nfs/dbraw/zinc/40/48/85/384404885.db2.gz STPAVPVRASRJIG-CQSZACIVSA-N 1 0 234.343 1.588 10 0 BDAERO CCO[C@H]1C[C@@H]([NH3+])[C@@H]1Oc1ccccc1 ZINC000095883807 384405311 /nfs/dbraw/zinc/40/53/11/384405311.db2.gz JRKQERSGLFDFAY-WOPDTQHZSA-N 1 0 207.273 1.570 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H]1CCCCO1 ZINC000175345913 384426798 /nfs/dbraw/zinc/42/67/98/384426798.db2.gz RXMSXAVPIHTJEN-KBPBESRZSA-N 1 0 240.391 1.972 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccccn1 ZINC000335642584 384414922 /nfs/dbraw/zinc/41/49/22/384414922.db2.gz FXQCDWZSVHZABQ-CMPLNLGQSA-N 1 0 205.305 1.312 10 0 BDAERO O=C(c1ccoc1)N1CC2(CC1=O)CC[NH2+]CC2 ZINC000095937480 384416445 /nfs/dbraw/zinc/41/64/45/384416445.db2.gz BCGBWVYYYGOMMU-UHFFFAOYSA-N 1 0 248.282 1.022 10 0 BDAERO CC(C)CC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404195652 384425019 /nfs/dbraw/zinc/42/50/19/384425019.db2.gz JAWDFRYDPPLOPI-NWDGAFQWSA-N 1 0 212.337 1.095 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCc3ccoc3)C[C@H]12 ZINC000248566824 384386992 /nfs/dbraw/zinc/38/69/92/384386992.db2.gz BWZWWJVANFVCRA-FRRDWIJNSA-N 1 0 248.326 1.408 10 0 BDAERO [NH3+][C@@H](CO)c1ccc(C(F)(F)F)nc1 ZINC000095705899 384389629 /nfs/dbraw/zinc/38/96/29/384389629.db2.gz KBOMPSGVSUAHRA-LURJTMIESA-N 1 0 206.167 1.093 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@H]2CC23CC3)CC1 ZINC000648179915 384448855 /nfs/dbraw/zinc/44/88/55/384448855.db2.gz KVRDTKNCVZDNBM-RTBKNWGFSA-N 1 0 208.305 1.173 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1ccsc1)n1cccn1 ZINC000043124087 384496210 /nfs/dbraw/zinc/49/62/10/384496210.db2.gz WMZGBQIUEHTFCW-SCZZXKLOSA-N 1 0 207.302 1.881 10 0 BDAERO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000097139132 384499027 /nfs/dbraw/zinc/49/90/27/384499027.db2.gz GZLPZZYPLDOIBC-NSHDSACASA-N 1 0 242.363 1.402 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cncs1 ZINC000161579997 384505954 /nfs/dbraw/zinc/50/59/54/384505954.db2.gz YULMQPGXQNUFKC-NXEZZACHSA-N 1 0 241.360 1.124 10 0 BDAERO C[C@@H]([NH2+]CC(=O)N(C)C)c1cccs1 ZINC000037207568 384489053 /nfs/dbraw/zinc/48/90/53/384489053.db2.gz YUIUNRKZEXCUMT-MRVPVSSYSA-N 1 0 212.318 1.487 10 0 BDAERO C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000123119020 384536441 /nfs/dbraw/zinc/53/64/41/384536441.db2.gz PBXXVCOJZORQLK-OCCSQVGLSA-N 1 0 246.354 1.953 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H](CCO)COC ZINC000309702537 384546320 /nfs/dbraw/zinc/54/63/20/384546320.db2.gz NFEKQWPQKMMECI-FRRDWIJNSA-N 1 0 229.364 1.942 10 0 BDAERO CC[C@H](CO)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000011731046 384537809 /nfs/dbraw/zinc/53/78/09/384537809.db2.gz CXKYPOPBHFOITG-GFCCVEGCSA-N 1 0 206.289 1.355 10 0 BDAERO Cc1ccc([C@@H]([NH3+])CCO)c(F)c1F ZINC000044233502 384540091 /nfs/dbraw/zinc/54/00/91/384540091.db2.gz XFPZRCWFVHELBK-QMMMGPOBSA-N 1 0 201.216 1.655 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CN(C)C ZINC000336745700 384583700 /nfs/dbraw/zinc/58/37/00/384583700.db2.gz VXAIFECSCHPYJQ-FRRDWIJNSA-N 1 0 228.380 1.467 10 0 BDAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cccc(O)c1 ZINC000084446094 384618784 /nfs/dbraw/zinc/61/87/84/384618784.db2.gz KFUJKQYHDIWAAC-TTXORMCVSA-N 1 0 221.300 1.814 10 0 BDAERO C1OCC1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000300874671 384623983 /nfs/dbraw/zinc/62/39/83/384623983.db2.gz FFJILMBABAIFCW-LLVKDONJSA-N 1 0 211.305 1.324 10 0 BDAERO COC[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000103430307 384626641 /nfs/dbraw/zinc/62/66/41/384626641.db2.gz LFFUZUOFISWPML-NEPJUHHUSA-N 1 0 242.363 1.260 10 0 BDAERO COC[C@H](C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000103430616 384626832 /nfs/dbraw/zinc/62/68/32/384626832.db2.gz GCAXBUPXYXVLNH-RYUDHWBXSA-N 1 0 242.363 1.117 10 0 BDAERO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc[nH]1 ZINC000100248166 384627366 /nfs/dbraw/zinc/62/73/66/384627366.db2.gz UTRSHGDRNPLYBR-MXWKQRLJSA-N 1 0 208.305 1.969 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403317992 384627513 /nfs/dbraw/zinc/62/75/13/384627513.db2.gz GXHCPVHPMTUQQD-DDHJBXDOSA-N 1 0 222.332 1.148 10 0 BDAERO COC[C@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103433772 384631333 /nfs/dbraw/zinc/63/13/33/384631333.db2.gz BVCQQWYZOCWIJA-NSHDSACASA-N 1 0 242.363 1.117 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cnc(C)s2)C1 ZINC000309769011 384596231 /nfs/dbraw/zinc/59/62/31/384596231.db2.gz OFSKPOHVNOVOIA-ZJUUUORDSA-N 1 0 242.344 1.033 10 0 BDAERO CC[C@H]([NH3+])C[C@H](N)C(=O)OCc1ccccc1 ZINC000141436064 384674232 /nfs/dbraw/zinc/67/42/32/384674232.db2.gz KEWAVIHAPYVGBK-RYUDHWBXSA-N 1 0 236.315 1.185 10 0 BDAERO FC(F)(F)Cc1ncn2c1C[NH2+]CC2 ZINC000082379893 384674486 /nfs/dbraw/zinc/67/44/86/384674486.db2.gz NLACTBYMGZMBRU-UHFFFAOYSA-N 1 0 205.183 1.091 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H](c2cccc(C)c2)C1 ZINC000082162772 384647423 /nfs/dbraw/zinc/64/74/23/384647423.db2.gz VEBBMGIECHEYLT-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H](c2cccc(C)c2)C1 ZINC000082162766 384647957 /nfs/dbraw/zinc/64/79/57/384647957.db2.gz VEBBMGIECHEYLT-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H](c2cccc(F)c2)C1 ZINC000082162824 384648124 /nfs/dbraw/zinc/64/81/24/384648124.db2.gz XUWCFBZWGOBXKW-QWRGUYRKSA-N 1 0 237.274 1.692 10 0 BDAERO CNc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000061714306 384675358 /nfs/dbraw/zinc/67/53/58/384675358.db2.gz ALTUBECCCZDXQT-UHFFFAOYSA-N 1 0 211.334 1.951 10 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BDAERO COC[C@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173652068 384706565 /nfs/dbraw/zinc/70/65/65/384706565.db2.gz UKAYKXQRKCOIAB-CMPLNLGQSA-N 1 0 223.320 1.592 10 0 BDAERO COC[C@@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173652081 384706716 /nfs/dbraw/zinc/70/67/16/384706716.db2.gz UKAYKXQRKCOIAB-ZYHUDNBSSA-N 1 0 223.320 1.592 10 0 BDAERO COC(=O)[C@H]1CC[NH2+][C@@H]1c1ccc(OC)cc1 ZINC000051971713 384708696 /nfs/dbraw/zinc/70/86/96/384708696.db2.gz ZIFNSVMYHQPTFI-NWDGAFQWSA-N 1 0 235.283 1.519 10 0 BDAERO c1ccc2nc(N3CC[C@H]4C[NH2+]C[C@H]43)cnc2c1 ZINC000052017773 384710223 /nfs/dbraw/zinc/71/02/23/384710223.db2.gz SFTCDORJYLGKPM-GXFFZTMASA-N 1 0 240.310 1.428 10 0 BDAERO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000164498338 384774737 /nfs/dbraw/zinc/77/47/37/384774737.db2.gz WAHXORIHDNTFEW-QWRGUYRKSA-N 1 0 238.375 1.927 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncccc1Cl ZINC000307023089 384728765 /nfs/dbraw/zinc/72/87/65/384728765.db2.gz FNVPFBVLGYMRRW-SFYZADRCSA-N 1 0 211.696 1.661 10 0 BDAERO C[C@@H]([NH3+])Cc1cncc(Br)c1 ZINC000044461710 384731849 /nfs/dbraw/zinc/73/18/49/384731849.db2.gz GCLUZWXHRYTWNG-ZCFIWIBFSA-N 1 0 215.094 1.734 10 0 BDAERO C[C@@H]([NH3+])Cc1occc1Br ZINC000044463340 384733484 /nfs/dbraw/zinc/73/34/84/384733484.db2.gz GSTAASZQUFZKBZ-RXMQYKEDSA-N 1 0 204.067 1.932 10 0 BDAERO Cc1cc(N2C[C@@H](C)C[C@H](O)C2)cc[nH+]1 ZINC000334811970 384734402 /nfs/dbraw/zinc/73/44/02/384734402.db2.gz DWKSAEXZAZXRLR-CABZTGNLSA-N 1 0 206.289 1.597 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(O)cc1 ZINC000054307309 384734465 /nfs/dbraw/zinc/73/44/65/384734465.db2.gz YISPJFRLWDPFJY-JTQLQIEISA-N 1 0 234.299 1.720 10 0 BDAERO [NH3+][C@@H](CO)Cc1cccc(C(F)(F)F)c1 ZINC000044463732 384735041 /nfs/dbraw/zinc/73/50/41/384735041.db2.gz ZAVKZFYOETWTIT-SECBINFHSA-N 1 0 219.206 1.568 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCc2ccncc2)C1 ZINC000334826626 384742645 /nfs/dbraw/zinc/74/26/45/384742645.db2.gz NPHPFWSCVKJRTM-DGCLKSJQSA-N 1 0 220.316 1.327 10 0 BDAERO Cc1ccc(N[C@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000334848672 384745433 /nfs/dbraw/zinc/74/54/33/384745433.db2.gz KESURLCBZSTPTD-GHMZBOCLSA-N 1 0 205.305 1.800 10 0 BDAERO Cn1nc(-c2ccncc2)c2c1CC[NH2+]C2 ZINC000082811107 384746764 /nfs/dbraw/zinc/74/67/64/384746764.db2.gz OJLPUKJZTJRLNG-UHFFFAOYSA-N 1 0 214.272 1.128 10 0 BDAERO C[C@@H]([NH3+])c1cccc(Br)n1 ZINC000083283676 384758150 /nfs/dbraw/zinc/75/81/50/384758150.db2.gz NVMOBBCPDRYXDX-RXMQYKEDSA-N 1 0 201.067 1.864 10 0 BDAERO Cc1ccc([C@H](N)C[NH3+])cc1Br ZINC000072201225 384816547 /nfs/dbraw/zinc/81/65/47/384816547.db2.gz HYDHBEFUAXBBRX-SECBINFHSA-N 1 0 229.121 1.716 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](O)COC ZINC000310042415 384817097 /nfs/dbraw/zinc/81/70/97/384817097.db2.gz ZJIPSWGTMPUNAH-FRRDWIJNSA-N 1 0 229.364 1.942 10 0 BDAERO CN(CCC(C)(C)C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000648201275 384820113 /nfs/dbraw/zinc/82/01/13/384820113.db2.gz FMOKYAPYAGMZEI-NSHDSACASA-N 1 0 242.363 1.117 10 0 BDAERO Cc1csc2ncnc(NCC[NH3+])c12 ZINC000306638933 384790717 /nfs/dbraw/zinc/79/07/17/384790717.db2.gz NPFJUTVRBZMUTL-UHFFFAOYSA-N 1 0 208.290 1.370 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1ccc(Cl)c(F)c1 ZINC000043388729 384790920 /nfs/dbraw/zinc/79/09/20/384790920.db2.gz ZJYZEGVTNYKEGB-ANLVUFKYSA-N 1 0 203.644 1.860 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cnnn1C ZINC000310040276 384808987 /nfs/dbraw/zinc/80/89/87/384808987.db2.gz XRUWTNHQLYMLSU-CMPLNLGQSA-N 1 0 222.336 1.874 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)CC(F)F ZINC000648193968 384811447 /nfs/dbraw/zinc/81/14/47/384811447.db2.gz OXLOJSDZLOGJGD-AEJSXWLSSA-N 1 0 248.317 1.782 10 0 BDAERO [NH3+][C@H](CO)c1ccc(F)cc1Br ZINC000072198736 384814263 /nfs/dbraw/zinc/81/42/63/384814263.db2.gz LKWDLMLGGNIHLA-MRVPVSSYSA-N 1 0 234.068 1.580 10 0 BDAERO c1cn2c(n1)CC[C@H]([NH2+]C[C@@H]1CCSC1)C2 ZINC000376470375 384873735 /nfs/dbraw/zinc/87/37/35/384873735.db2.gz CBAVOUXWDFHGBB-QWRGUYRKSA-N 1 0 237.372 1.541 10 0 BDAERO Cc1nocc1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000402505755 384877857 /nfs/dbraw/zinc/87/78/57/384877857.db2.gz NYCFXKVHCJKQMI-JTQLQIEISA-N 1 0 237.303 1.197 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105871010 384884706 /nfs/dbraw/zinc/88/47/06/384884706.db2.gz LYQNKMQTAPKPNQ-YPMHNXCESA-N 1 0 242.326 1.944 10 0 BDAERO COCc1ccc(C[NH2+][C@H]2CCO[C@H]2C)o1 ZINC000127328764 384887292 /nfs/dbraw/zinc/88/72/92/384887292.db2.gz LCZGCFZRLNOMHP-CABZTGNLSA-N 1 0 225.288 1.693 10 0 BDAERO [NH3+]CCc1nnc(COc2cccc(F)c2)[nH]1 ZINC000072236569 384840735 /nfs/dbraw/zinc/84/07/35/384840735.db2.gz ZLZYWIGSSGNREE-UHFFFAOYSA-N 1 0 236.250 1.024 10 0 BDAERO Cc1cnc(CN(C[C@H]2CCC[NH2+]2)C2CC2)o1 ZINC000583621998 384841038 /nfs/dbraw/zinc/84/10/38/384841038.db2.gz LNPDPLZULKHKAW-LLVKDONJSA-N 1 0 235.331 1.699 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000127257007 384853433 /nfs/dbraw/zinc/85/34/33/384853433.db2.gz KCDIMNTVZMPCJQ-GHMZBOCLSA-N 1 0 211.309 1.205 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccco1 ZINC000174977472 384854012 /nfs/dbraw/zinc/85/40/12/384854012.db2.gz MNOCLICHISJQSY-NWDGAFQWSA-N 1 0 248.326 1.978 10 0 BDAERO Cn1ccc(C[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000127267159 384854371 /nfs/dbraw/zinc/85/43/71/384854371.db2.gz BYNYFNCLAMXNDN-NSHDSACASA-N 1 0 210.321 1.522 10 0 BDAERO Cn1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000127266921 384855693 /nfs/dbraw/zinc/85/56/93/384855693.db2.gz BYNYFNCLAMXNDN-LLVKDONJSA-N 1 0 210.321 1.522 10 0 BDAERO Cc1ccc2cccc(OC3C[NH2+]C3)c2n1 ZINC000054931705 384862745 /nfs/dbraw/zinc/86/27/45/384862745.db2.gz SMODYTDBQMONTH-UHFFFAOYSA-N 1 0 214.268 1.894 10 0 BDAERO CSc1ccc(NCC[N@H+](C)C(C)C)nn1 ZINC000301595415 384894641 /nfs/dbraw/zinc/89/46/41/384894641.db2.gz YYUVAFBFZLLONV-UHFFFAOYSA-N 1 0 240.376 1.951 10 0 BDAERO CC(C)c1noc(N2CCC[C@@H]2C[NH3+])n1 ZINC000107211593 384913721 /nfs/dbraw/zinc/91/37/21/384913721.db2.gz GDVOPTQTUXXHLR-MRVPVSSYSA-N 1 0 210.281 1.121 10 0 BDAERO CC[C@](C)(O)C[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000127798424 384915518 /nfs/dbraw/zinc/91/55/18/384915518.db2.gz ATLJPJGZDFDIGI-UTUOFQBUSA-N 1 0 214.353 1.172 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(Cl)c(O)c1 ZINC000106880003 384935710 /nfs/dbraw/zinc/93/57/10/384935710.db2.gz RUWOZTMCZIHNET-VIFPVBQESA-N 1 0 201.653 1.298 10 0 BDAERO COC(=O)[C@@]1(c2cccc(Cl)c2)CC[NH2+]C1 ZINC000260536243 384944289 /nfs/dbraw/zinc/94/42/89/384944289.db2.gz LRWPIPRIYXEVCG-LBPRGKRZSA-N 1 0 239.702 1.744 10 0 BDAERO CCc1ccc(C[N@@H+]2CC[C@H](CCO)C2)nc1 ZINC000339005543 384967568 /nfs/dbraw/zinc/96/75/68/384967568.db2.gz RPDMUESHEPWDLB-CYBMUJFWSA-N 1 0 234.343 1.848 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccsc1 ZINC000085790245 384967923 /nfs/dbraw/zinc/96/79/23/384967923.db2.gz SKRUULCQRWTTAB-ZYHUDNBSSA-N 1 0 240.372 1.729 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000060820827 384977934 /nfs/dbraw/zinc/97/79/34/384977934.db2.gz FRVQOEHGGLXDHO-MNOVXSKESA-N 1 0 230.267 1.162 10 0 BDAERO CC1(C)[C@@H]([NH2+][C@@H]2CCOC2)[C@@H]2CCO[C@@H]21 ZINC000087784091 384990362 /nfs/dbraw/zinc/99/03/62/384990362.db2.gz MIFWBDDCZSQVQJ-RCWTZXSCSA-N 1 0 211.305 1.178 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2scnc2C)c1 ZINC000164525680 385004617 /nfs/dbraw/zinc/00/46/17/385004617.db2.gz QZPOJSCJRBDOMY-UHFFFAOYSA-N 1 0 236.344 1.746 10 0 BDAERO Cc1cc2c(N[C@@H](C)CC[NH3+])nccn2n1 ZINC000157030522 385053372 /nfs/dbraw/zinc/05/33/72/385053372.db2.gz SIJCHBKAINMNGA-QMMMGPOBSA-N 1 0 219.292 1.187 10 0 BDAERO Nc1ccc2[nH]c(SCC[NH3+])nc2c1 ZINC000058826479 385028985 /nfs/dbraw/zinc/02/89/85/385028985.db2.gz RHPKWUJJFUQLBB-UHFFFAOYSA-N 1 0 208.290 1.196 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)COC ZINC000177705512 385085124 /nfs/dbraw/zinc/08/51/24/385085124.db2.gz WIRKKUWFSWELEN-RYUDHWBXSA-N 1 0 214.353 1.437 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCN(CCOC)C1 ZINC000310022068 385040030 /nfs/dbraw/zinc/04/00/30/385040030.db2.gz NWCGLVUGZRVFNI-AGIUHOORSA-N 1 0 226.364 1.485 10 0 BDAERO Cc1[nH]ccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000176205173 385040607 /nfs/dbraw/zinc/04/06/07/385040607.db2.gz PQVFBEUYFLBSMP-JTQLQIEISA-N 1 0 221.304 1.099 10 0 BDAERO Cc1[nH]ccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000176205193 385041514 /nfs/dbraw/zinc/04/15/14/385041514.db2.gz PQVFBEUYFLBSMP-SNVBAGLBSA-N 1 0 221.304 1.099 10 0 BDAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ncc[nH]1 ZINC000165411880 385118915 /nfs/dbraw/zinc/11/89/15/385118915.db2.gz LEIBBMTXIYJLOH-CMPLNLGQSA-N 1 0 223.320 1.560 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NCc1cncs1 ZINC000306573408 385094920 /nfs/dbraw/zinc/09/49/20/385094920.db2.gz ICKDOTHAMDSGPW-WCBMZHEXSA-N 1 0 211.334 1.373 10 0 BDAERO [NH3+]C[C@@](O)(c1cccs1)C(F)(F)F ZINC000062784762 385186183 /nfs/dbraw/zinc/18/61/83/385186183.db2.gz WOCYIZDOSCEUGS-ZCFIWIBFSA-N 1 0 211.208 1.457 10 0 BDAERO Cl/C=C/C[N@@H+]1CCC[C@]12CCOC2 ZINC000306787820 385199246 /nfs/dbraw/zinc/19/92/46/385199246.db2.gz NKDZNAINUBBVCT-JYBNPQIESA-N 1 0 201.697 1.994 10 0 BDAERO CC[C@@H]1CN(C(=O)C2CC(C)C2)CC[C@H]1[NH3+] ZINC000647013882 385146679 /nfs/dbraw/zinc/14/66/79/385146679.db2.gz QCNJMGZOVIKGRS-RUJICJSRSA-N 1 0 224.348 1.618 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cc(Cl)ccn1 ZINC000647033202 385167501 /nfs/dbraw/zinc/16/75/01/385167501.db2.gz QTWZGIVZUFZXHY-SSDOTTSWSA-N 1 0 227.695 1.073 10 0 BDAERO C[C@@H]([NH3+])Cc1noc(-c2cscn2)n1 ZINC000062362009 385170099 /nfs/dbraw/zinc/17/00/99/385170099.db2.gz UQUWTDSAZJVLEM-RXMQYKEDSA-N 1 0 210.262 1.083 10 0 BDAERO [NH3+]C[C@]12C[C@H]1CCN2Cc1ccccc1 ZINC000032628517 385175444 /nfs/dbraw/zinc/17/54/44/385175444.db2.gz UOCGLNOTFZZOEA-CHWSQXEVSA-N 1 0 202.301 1.610 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccc(C)o2)C1 ZINC000343978784 385243172 /nfs/dbraw/zinc/24/31/72/385243172.db2.gz LEHNNGXIHCCEJS-ZYHUDNBSSA-N 1 0 225.288 1.170 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@@]2(C)CCOC2)[C@@H]2CCO[C@@H]21 ZINC000344064736 385249151 /nfs/dbraw/zinc/24/91/51/385249151.db2.gz BVROSVPCVPXYEW-KZVDOYCCSA-N 1 0 239.359 1.816 10 0 BDAERO Cc1ccc(Cn2cc(C[NH3+])nn2)cc1C ZINC000050224477 385312371 /nfs/dbraw/zinc/31/23/71/385312371.db2.gz ZNGVXNGESDUGHK-UHFFFAOYSA-N 1 0 216.288 1.402 10 0 BDAERO C[C@]1(O)CCC[N@@H+]([C@H]2CCCC[C@H]2O)CC1 ZINC000300238306 385316561 /nfs/dbraw/zinc/31/65/61/385316561.db2.gz NGOCGYGCVSNCJH-XQQFMLRXSA-N 1 0 227.348 1.527 10 0 BDAERO [NH3+]Cc1ccc(F)c(-c2cncnc2)c1 ZINC000052886610 385319994 /nfs/dbraw/zinc/31/99/94/385319994.db2.gz YNJWXNASXLMCAF-UHFFFAOYSA-N 1 0 203.220 1.741 10 0 BDAERO CCc1cc(N[C@H]2CCC(=O)N[C@@H]2C)cc[nH+]1 ZINC000307777098 385263236 /nfs/dbraw/zinc/26/32/36/385263236.db2.gz UWSFOBTWQCIGBJ-SKDRFNHKSA-N 1 0 233.315 1.723 10 0 BDAERO CCC[C@H](C(=O)NCC=C(C)C)[NH+](C)C ZINC000191791741 385324728 /nfs/dbraw/zinc/32/47/28/385324728.db2.gz QSYLDEYLHIDYLS-LLVKDONJSA-N 1 0 212.337 1.799 10 0 BDAERO CSc1sc(NC(=O)C[NH3+])nc1C ZINC000156443423 385277900 /nfs/dbraw/zinc/27/79/00/385277900.db2.gz MIEFVEYPXFEARQ-UHFFFAOYSA-N 1 0 217.319 1.071 10 0 BDAERO COCC(C)(C)[N@H+](C)C[C@H](O)C(C)(C)C ZINC000309000514 385361867 /nfs/dbraw/zinc/36/18/67/385361867.db2.gz RJOJZOLZOZOJSQ-JTQLQIEISA-N 1 0 217.353 1.750 10 0 BDAERO CC(C)COCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000120598409 385363904 /nfs/dbraw/zinc/36/39/04/385363904.db2.gz YDELOFNKZUJISV-GHMZBOCLSA-N 1 0 201.310 1.426 10 0 BDAERO COC[C@@]12CN(CC(=[NH2+])NO)C[C@@H]1CCCC2 ZINC000409428908 385326977 /nfs/dbraw/zinc/32/69/77/385326977.db2.gz GYSWKIOTPULINP-CMPLNLGQSA-N 1 0 241.335 1.081 10 0 BDAERO C[C@H](O)C[NH2+]C1CC(c2ccccn2)C1 ZINC000309076949 385397381 /nfs/dbraw/zinc/39/73/81/385397381.db2.gz LPTQNSWKXLKGBV-WHXUTIOJSA-N 1 0 206.289 1.298 10 0 BDAERO C[C@@H](O)CC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000309072082 385404341 /nfs/dbraw/zinc/40/43/41/385404341.db2.gz OBQSPEPEFJBKCH-PWSUYJOCSA-N 1 0 223.320 1.328 10 0 BDAERO COC(=O)[C@@H](N)[C@H](C)Sc1ccccc1 ZINC000169726740 385418449 /nfs/dbraw/zinc/41/84/49/385418449.db2.gz VQTQAAZZNGBWGM-WPRPVWTQSA-N 1 0 225.313 1.668 10 0 BDAERO Cc1ccc(CC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170859312 385450561 /nfs/dbraw/zinc/45/05/61/385450561.db2.gz NCINSCDWPJLFGJ-AWEZNQCLSA-N 1 0 246.354 1.700 10 0 BDAERO C[C@@H](C[NH2+][C@@H](C)c1ccncc1)N1CCOCC1 ZINC000156420491 385450744 /nfs/dbraw/zinc/45/07/44/385450744.db2.gz ZCUYMEVFTUBXKU-STQMWFEESA-N 1 0 249.358 1.453 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccnc2)C1 ZINC000170874815 385452589 /nfs/dbraw/zinc/45/25/89/385452589.db2.gz WPEISRXRGQEUME-LLVKDONJSA-N 1 0 234.303 1.249 10 0 BDAERO CC(C)n1cc(C[NH2+][C@H]2CCO[C@H]2C)nn1 ZINC000309201301 385476756 /nfs/dbraw/zinc/47/67/56/385476756.db2.gz LLFPOZAIEAVNMJ-ONGXEEELSA-N 1 0 224.308 1.126 10 0 BDAERO C[C@H]1C[C@]2(CC[N@@H+]1C)NCCCS2 ZINC000156984803 385479461 /nfs/dbraw/zinc/47/94/61/385479461.db2.gz JDOPQBNBZPLYHI-VHSXEESVSA-N 1 0 200.351 1.523 10 0 BDAERO C[NH2+][C@H]1CCN(c2ncc(Cl)s2)C1 ZINC000642989689 385491368 /nfs/dbraw/zinc/49/13/68/385491368.db2.gz IYBNFDBDDKEPGA-LURJTMIESA-N 1 0 217.725 1.595 10 0 BDAERO Cc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)o1 ZINC000309240490 385495963 /nfs/dbraw/zinc/49/59/63/385495963.db2.gz YHNYOVFGVZBQAX-CNDDSTCGSA-N 1 0 207.273 1.570 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCC(C)(C)C)C1 ZINC000309243215 385498621 /nfs/dbraw/zinc/49/86/21/385498621.db2.gz BGOIZBOPQPLVAW-VXGBXAGGSA-N 1 0 229.364 1.894 10 0 BDAERO COc1cc(C)nc(NCCC[NH2+]C(C)C)n1 ZINC000643003138 385499469 /nfs/dbraw/zinc/49/94/69/385499469.db2.gz SGUZNGKTURMUBF-UHFFFAOYSA-N 1 0 238.335 1.016 10 0 BDAERO CC(C)=CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171617318 385501602 /nfs/dbraw/zinc/50/16/02/385501602.db2.gz RNZNXBLAPDSSPJ-GFCCVEGCSA-N 1 0 220.320 1.881 10 0 BDAERO C[NH2+][C@H]1CCCN(c2ncc(Cl)s2)C1 ZINC000643000108 385501763 /nfs/dbraw/zinc/50/17/63/385501763.db2.gz GZWYSCKBIKQJSH-ZETCQYMHSA-N 1 0 231.752 1.985 10 0 BDAERO COc1cc(C)nc(N[C@H](C)CCC[NH3+])n1 ZINC000166489853 385505549 /nfs/dbraw/zinc/50/55/49/385505549.db2.gz JHKRMWYWGQLKSQ-MRVPVSSYSA-N 1 0 224.308 1.333 10 0 BDAERO [NH3+]CCC(=O)c1cc(F)c(F)cc1F ZINC000257902025 385511680 /nfs/dbraw/zinc/51/16/80/385511680.db2.gz VWWVPLXONPVIBE-UHFFFAOYSA-N 1 0 203.163 1.635 10 0 BDAERO [NH3+]Cc1cnc([C@@H]2CCSC2)s1 ZINC000258067005 385531192 /nfs/dbraw/zinc/53/11/92/385531192.db2.gz LCSMSLDHTITUFK-ZCFIWIBFSA-N 1 0 200.332 1.822 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000171925382 385534187 /nfs/dbraw/zinc/53/41/87/385534187.db2.gz JPDKKPLSJGGBAA-NSHDSACASA-N 1 0 232.331 1.494 10 0 BDAERO CCc1ncnc(N2CCC(C)([NH3+])CC2)c1F ZINC000643029467 385524291 /nfs/dbraw/zinc/52/42/91/385524291.db2.gz WVRLALZUTNTIBU-UHFFFAOYSA-N 1 0 238.310 1.496 10 0 BDAERO Cc1cc2c(N3CCC(C)([NH3+])CC3)nccn2n1 ZINC000643028363 385524659 /nfs/dbraw/zinc/52/46/59/385524659.db2.gz IJJOEZIKPCIKJP-UHFFFAOYSA-N 1 0 245.330 1.355 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000309410747 385574303 /nfs/dbraw/zinc/57/43/03/385574303.db2.gz BTHNOIBZYDXGGF-IJLUTSLNSA-N 1 0 227.348 1.816 10 0 BDAERO CSC1(C[NH2+]CCn2cncn2)CCC1 ZINC000336681542 385635146 /nfs/dbraw/zinc/63/51/46/385635146.db2.gz JEDKZUKHTPQOMI-UHFFFAOYSA-N 1 0 226.349 1.153 10 0 BDAERO CC[C@@H](C)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290729 385609905 /nfs/dbraw/zinc/60/99/05/385609905.db2.gz JPKRQADYFORQRR-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO CN(CC1CC1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308055 385613502 /nfs/dbraw/zinc/61/35/02/385613502.db2.gz BANNTCLTFKMTBU-NSHDSACASA-N 1 0 210.321 1.245 10 0 BDAERO CC1(C)CC([NH2+][C@@H]2CCCn3ncnc32)C1 ZINC000309506596 385641456 /nfs/dbraw/zinc/64/14/56/385641456.db2.gz WAKBCKAKKKAZIO-SNVBAGLBSA-N 1 0 220.320 1.891 10 0 BDAERO Cc1ccc([C@H](C)NCc2cn[nH]n2)o1 ZINC000283656933 385737194 /nfs/dbraw/zinc/73/71/94/385737194.db2.gz CWHMOKFWXPONNP-QMMMGPOBSA-N 1 0 206.249 1.557 10 0 BDAERO CC(C)=CC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000309607034 385737655 /nfs/dbraw/zinc/73/76/55/385737655.db2.gz LNUHOMYKIGAQLA-WCQYABFASA-N 1 0 222.332 1.599 10 0 BDAERO CSC[C@H](O)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000336736668 385743272 /nfs/dbraw/zinc/74/32/72/385743272.db2.gz POGILUKCPHLKKD-IONNQARKSA-N 1 0 246.401 1.826 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+]C(C)C)C12CCOCC2 ZINC000186200367 385747721 /nfs/dbraw/zinc/74/77/21/385747721.db2.gz CBCGYBJOPWHGFK-RYUDHWBXSA-N 1 0 227.348 1.959 10 0 BDAERO FC(F)c1nnc(N[C@@H]2CC[NH2+]C2)s1 ZINC000307384615 385757139 /nfs/dbraw/zinc/75/71/39/385757139.db2.gz GTJIRQBNUUOLSB-SCSAIBSYSA-N 1 0 220.248 1.250 10 0 BDAERO CC(C)[NH2+][C@@H]1CCCN(c2ccncn2)C1 ZINC000309661591 385772242 /nfs/dbraw/zinc/77/22/42/385772242.db2.gz GFACJTDPTNDLHI-LLVKDONJSA-N 1 0 220.320 1.443 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1c[nH]cn1 ZINC000616636595 385831746 /nfs/dbraw/zinc/83/17/46/385831746.db2.gz FWVVZPWQDZAGLW-JTQLQIEISA-N 1 0 208.309 1.155 10 0 BDAERO CSCCC[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000308308987 385852427 /nfs/dbraw/zinc/85/24/27/385852427.db2.gz PXUJKWLNRORJAW-RKDXNWHRSA-N 1 0 207.314 1.144 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1c1cccc(C)c1 ZINC000215989456 385855557 /nfs/dbraw/zinc/85/55/57/385855557.db2.gz HVHLJCLQPLVMMN-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@H]1c1cccc(OC)c1 ZINC000215989837 385855931 /nfs/dbraw/zinc/85/59/31/385855931.db2.gz QZZWHIDLXDKUIR-QWHCGFSZSA-N 1 0 249.310 1.561 10 0 BDAERO C[C@H]1CC[C@@H](N(C)C(=[NH2+])NO)CS1 ZINC000575533248 385886792 /nfs/dbraw/zinc/88/67/92/385886792.db2.gz AZEWHCQZEKTCAJ-NKWVEPMBSA-N 1 0 203.311 1.116 10 0 BDAERO C[C@@H]1CS[C@@](C)(C[C@@H]2CCOC2)[NH2+]1 ZINC000575534510 385896960 /nfs/dbraw/zinc/89/69/60/385896960.db2.gz XBYRRKVNSZCHDC-UTLUCORTSA-N 1 0 201.335 1.854 10 0 BDAERO FC(F)(F)[C@H]1CCN([C@@H]2CC[NH2+]C2)C1 ZINC000307128341 385929118 /nfs/dbraw/zinc/92/91/18/385929118.db2.gz DYFHFDSXOGEIAL-JGVFFNPUSA-N 1 0 208.227 1.233 10 0 BDAERO [NH3+]CC[C@H](O)c1cc(Br)cs1 ZINC000071546910 385919480 /nfs/dbraw/zinc/91/94/80/385919480.db2.gz GQQPJLOJWHECNX-LURJTMIESA-N 1 0 236.134 1.893 10 0 BDAERO OC1CC([NH2+]CCOCc2ccccc2)C1 ZINC000307128360 385927210 /nfs/dbraw/zinc/92/72/10/385927210.db2.gz DZTOQEBUUJIOAR-UHFFFAOYSA-N 1 0 221.300 1.316 10 0 BDAERO CN1C[C@@H]([NH2+]C2CSC2)CC1(C)C ZINC000575531461 385875062 /nfs/dbraw/zinc/87/50/62/385875062.db2.gz OFBPLZIPQQWHPR-QMMMGPOBSA-N 1 0 200.351 1.174 10 0 BDAERO [NH3+][C@H](CO)c1ccc(F)c(C(F)F)c1 ZINC000072197983 385975296 /nfs/dbraw/zinc/97/52/96/385975296.db2.gz YLXYZZGCVCMKLF-MRVPVSSYSA-N 1 0 205.179 1.755 10 0 BDAERO C[C@H]1CCCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000335021963 385982439 /nfs/dbraw/zinc/98/24/39/385982439.db2.gz BGMJNAXOOARAFU-RYUDHWBXSA-N 1 0 224.348 1.635 10 0 BDAERO Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000189440855 385999334 /nfs/dbraw/zinc/99/93/34/385999334.db2.gz SCKVHKHYQIEUQH-GZMMTYOYSA-N 1 0 210.277 1.640 10 0 BDAERO Cc1cccnc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638893635 386008329 /nfs/dbraw/zinc/00/83/29/386008329.db2.gz LZZACHMKUWBCIT-GHMZBOCLSA-N 1 0 233.315 1.057 10 0 BDAERO C[NH2+][C@@]1(C(N)=O)CCCC[C@@H]1C(C)(C)C ZINC000037869764 386105154 /nfs/dbraw/zinc/10/51/54/386105154.db2.gz WSEDZQWONGRAOZ-SKDRFNHKSA-N 1 0 212.337 1.666 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)[C@@H]1C ZINC000336773546 386107345 /nfs/dbraw/zinc/10/73/45/386107345.db2.gz YWUKAMIAYOGPIQ-NZFPMDFQSA-N 1 0 210.321 1.288 10 0 BDAERO CC[C@@H]([NH2+]CCCNC(C)=O)C(C)(C)C ZINC000336753521 386061319 /nfs/dbraw/zinc/06/13/19/386061319.db2.gz GWZJDGHILJWCBB-LLVKDONJSA-N 1 0 214.353 1.927 10 0 BDAERO [NH3+][C@@]1(Cc2nccs2)CCSC1 ZINC000575571654 386145171 /nfs/dbraw/zinc/14/51/71/386145171.db2.gz KEZPCRDAQJXNOC-MRVPVSSYSA-N 1 0 200.332 1.520 10 0 BDAERO COc1cccnc1N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310340628 386175472 /nfs/dbraw/zinc/17/54/72/386175472.db2.gz CQYSAPBXWQWHIY-ZWNOBZJWSA-N 1 0 235.331 1.511 10 0 BDAERO C[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000038121074 386124604 /nfs/dbraw/zinc/12/46/04/386124604.db2.gz IDYWWONMMXXDRU-JTQLQIEISA-N 1 0 244.132 1.876 10 0 BDAERO C[NH2+][C@](C)(CO)c1c(F)cccc1F ZINC000038121071 386124708 /nfs/dbraw/zinc/12/47/08/386124708.db2.gz BQDHPIDEDDPREW-SNVBAGLBSA-N 1 0 201.216 1.392 10 0 BDAERO C[C@@H]1C[NH2+]CCN(C/C(Cl)=C/Cl)C1 ZINC000307200372 386220634 /nfs/dbraw/zinc/22/06/34/386220634.db2.gz BTOSQQMAJBKPIL-HMXLAXJASA-N 1 0 223.147 1.847 10 0 BDAERO Cc1ccnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)n1 ZINC000425525906 386312006 /nfs/dbraw/zinc/31/20/06/386312006.db2.gz IPDAKCBLOHSFMF-RWMBFGLXSA-N 1 0 247.342 1.378 10 0 BDAERO C[C@@H](N[C@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000335261181 386319879 /nfs/dbraw/zinc/31/98/79/386319879.db2.gz TUCZUWYQMVZGTP-MFKMUULPSA-N 1 0 232.327 1.708 10 0 BDAERO C[C@]1(F)CCCN(C(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000335261629 386320054 /nfs/dbraw/zinc/32/00/54/386320054.db2.gz PRKHDNHVSLEWSS-PWSUYJOCSA-N 1 0 243.326 1.130 10 0 BDAERO CC[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@H]1CC)OC ZINC000336731373 386327573 /nfs/dbraw/zinc/32/75/73/386327573.db2.gz YQBLOUAVSXFKML-MGPQQGTHSA-N 1 0 240.391 1.970 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCc1cccnc1 ZINC000399162752 386427610 /nfs/dbraw/zinc/42/76/10/386427610.db2.gz CFNBQOLOCIUWFS-WCQYABFASA-N 1 0 220.316 1.469 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cn2ccccc2n1 ZINC000399286786 386484052 /nfs/dbraw/zinc/48/40/52/386484052.db2.gz LAFCDBMGLUAZNF-AAEUAGOBSA-N 1 0 245.326 1.680 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC000335441539 386501166 /nfs/dbraw/zinc/50/11/66/386501166.db2.gz DDUJHAWTHMGOHB-ZYHUDNBSSA-N 1 0 236.359 1.810 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(Cl)ccn1 ZINC000335447984 386514449 /nfs/dbraw/zinc/51/44/49/386514449.db2.gz YUQOPKKKAPYCHW-VIFPVBQESA-N 1 0 239.706 1.298 10 0 BDAERO Cc1ccc(C[N@H+]2C[C@H](O)CC[C@@H]2C)o1 ZINC000399342943 386516263 /nfs/dbraw/zinc/51/62/63/386516263.db2.gz UNMZDHMZQDUROJ-GXSJLCMTSA-N 1 0 209.289 1.933 10 0 BDAERO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000262624990 386538654 /nfs/dbraw/zinc/53/86/54/386538654.db2.gz LGDYBWOACNUCIP-NOOOWODRSA-N 1 0 240.347 1.045 10 0 BDAERO Nc1ccc(SC[C@@H]2CC[NH2+]C2)cn1 ZINC000051891149 386630808 /nfs/dbraw/zinc/63/08/08/386630808.db2.gz AVLIUSHNRLCKBW-MRVPVSSYSA-N 1 0 209.318 1.365 10 0 BDAERO C[C@@H]1CCC[C@H](CN2CCO[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000415145584 386642548 /nfs/dbraw/zinc/64/25/48/386642548.db2.gz WMJBLEOQHBCKDF-ZOBORPQBSA-N 1 0 238.375 1.485 10 0 BDAERO C[C@@H](Nc1nc(Cl)cs1)[C@H](C)[NH3+] ZINC000307398651 386610741 /nfs/dbraw/zinc/61/07/41/386610741.db2.gz ULUPVBBLUQPNGA-CRCLSJGQSA-N 1 0 205.714 1.944 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2CC=CC2)C1 ZINC000638490609 386617846 /nfs/dbraw/zinc/61/78/46/386617846.db2.gz BFQCIVJRMZPJIQ-MNOVXSKESA-N 1 0 208.305 1.196 10 0 BDAERO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1cccs1 ZINC000647907646 386682418 /nfs/dbraw/zinc/68/24/18/386682418.db2.gz UAWBEMDYYDVCCW-HLTSFMKQSA-N 1 0 224.329 1.663 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C)[C@H]1C[C@@H]1C ZINC000321067578 386676603 /nfs/dbraw/zinc/67/66/03/386676603.db2.gz JZBBNQWCESETJB-KZZRWZIVSA-N 1 0 245.388 1.586 10 0 BDAERO CCN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCC1 ZINC000648088643 386681306 /nfs/dbraw/zinc/68/13/06/386681306.db2.gz WMFPVUXOGHWDME-PWSUYJOCSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1nnc(C[NH2+]C[C@H](O)C(C)(C)C)s1 ZINC000391986856 386714805 /nfs/dbraw/zinc/71/48/05/386714805.db2.gz SSUBCODZTOZEGS-QMMMGPOBSA-N 1 0 229.349 1.343 10 0 BDAERO C[C@@H](CN[C@@H](C)c1cncs1)C[NH+](C)C ZINC000293338581 386816260 /nfs/dbraw/zinc/81/62/60/386816260.db2.gz GLHPESFARXANIO-UWVGGRQHSA-N 1 0 227.377 1.991 10 0 BDAERO Cc1cnc(N2CC[C@@H](C)[C@H](C[NH3+])C2)nc1C ZINC000395304476 386807619 /nfs/dbraw/zinc/80/76/19/386807619.db2.gz WSCZGVVSDWRSID-BXKDBHETSA-N 1 0 234.347 1.515 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000395429358 386833572 /nfs/dbraw/zinc/83/35/72/386833572.db2.gz KLZMMNTXWMRJIH-RYUDHWBXSA-N 1 0 214.353 1.485 10 0 BDAERO c1cn([C@@H]2CC[N@@H+](Cc3ccncc3)C2)nn1 ZINC000585379382 386852844 /nfs/dbraw/zinc/85/28/44/386852844.db2.gz KLLNNFQUWPTMAL-GFCCVEGCSA-N 1 0 229.287 1.120 10 0 BDAERO CCCCOCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398720389 386965570 /nfs/dbraw/zinc/96/55/70/386965570.db2.gz RQWOADXGHRFFBC-MELADBBJSA-N 1 0 241.375 1.896 10 0 BDAERO Cc1cncc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1 ZINC000398727867 386971161 /nfs/dbraw/zinc/97/11/61/386971161.db2.gz FWGNROJXVGDODC-KKUMJFAQSA-N 1 0 246.354 1.983 10 0 BDAERO Cc1cnn(CC[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000398769729 386988360 /nfs/dbraw/zinc/98/83/60/386988360.db2.gz KHDDJXDAHFEMQA-MELADBBJSA-N 1 0 249.358 1.284 10 0 BDAERO Cc1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000334820588 386949999 /nfs/dbraw/zinc/94/99/99/386949999.db2.gz LLTKRWRUPMNTFC-UONOGXRCSA-N 1 0 232.327 1.168 10 0 BDAERO Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000238577866 387033365 /nfs/dbraw/zinc/03/33/65/387033365.db2.gz ZSWLKKJDMAIFNR-UHFFFAOYSA-N 1 0 210.668 1.293 10 0 BDAERO Brc1cnccc1C[C@H]1C=CC[NH2+]1 ZINC000575459538 387035288 /nfs/dbraw/zinc/03/52/88/387035288.db2.gz SJOBZEDWFXUCFI-SECBINFHSA-N 1 0 239.116 1.915 10 0 BDAERO [NH3+]C1(c2ccns2)CCSCC1 ZINC000575578182 387042987 /nfs/dbraw/zinc/04/29/87/387042987.db2.gz SLOIKRRLKQGVOU-UHFFFAOYSA-N 1 0 200.332 1.824 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCC3(O)CCC3)C[C@@H]2C1 ZINC000399083830 387054742 /nfs/dbraw/zinc/05/47/42/387054742.db2.gz PHKNSCNXNOBZMJ-RWMBFGLXSA-N 1 0 239.359 1.384 10 0 BDAERO [NH3+][C@H]1COC[C@H]1c1ccsc1Cl ZINC000575464937 387061226 /nfs/dbraw/zinc/06/12/26/387061226.db2.gz MIZKPAJXOCXQLH-BQBZGAKWSA-N 1 0 203.694 1.843 10 0 BDAERO O=C(c1cnsc1)[C@H]1C[NH2+]CCS1 ZINC000575456520 387027976 /nfs/dbraw/zinc/02/79/76/387027976.db2.gz YVJCXEHRHJWTQV-SSDOTTSWSA-N 1 0 214.315 1.031 10 0 BDAERO O[C@H]1CC[N@H+](C[C@H]2Cc3ccccc3O2)C1 ZINC000085537830 387068878 /nfs/dbraw/zinc/06/88/78/387068878.db2.gz SMPXELRWYRUCKZ-NWDGAFQWSA-N 1 0 219.284 1.057 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C)C12CCOCC2 ZINC000186318175 387091100 /nfs/dbraw/zinc/09/11/00/387091100.db2.gz KWLWDINCSAGRJO-QNWHQSFQSA-N 1 0 239.359 1.959 10 0 BDAERO C[C@@H](CCC1CC1)[NH2+][C@H]1CCc2ncnn2C1 ZINC000186399263 387099232 /nfs/dbraw/zinc/09/92/32/387099232.db2.gz BZYTWLLNJCYRFY-JQWIXIFHSA-N 1 0 234.347 1.761 10 0 BDAERO CC[C@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186509400 387106518 /nfs/dbraw/zinc/10/65/18/387106518.db2.gz ZIOJNVRRQKVYEG-QWRGUYRKSA-N 1 0 224.348 1.776 10 0 BDAERO CS[C@@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186510685 387106610 /nfs/dbraw/zinc/10/66/10/387106610.db2.gz RNEXVCZZBODVTM-VHSXEESVSA-N 1 0 242.388 1.481 10 0 BDAERO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000359585095 387128839 /nfs/dbraw/zinc/12/88/39/387128839.db2.gz BDZCEVHCQMFHPT-MXWKQRLJSA-N 1 0 209.289 1.422 10 0 BDAERO O=C1OCC[C@@]12CCC[N@@H+]2C1CCCC1 ZINC000186744704 387132495 /nfs/dbraw/zinc/13/24/95/387132495.db2.gz GBAKOCGVKSSPTB-LBPRGKRZSA-N 1 0 209.289 1.711 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000250862068 387180936 /nfs/dbraw/zinc/18/09/36/387180936.db2.gz TXVAXTVDNUHMOD-WCQGTBRESA-N 1 0 246.310 1.364 10 0 BDAERO C[C@@H]1COC[C@@H]1[NH2+][C@H]1CSC1(C)C ZINC000575481957 387182138 /nfs/dbraw/zinc/18/21/38/387182138.db2.gz QMSVNNOTVANJAH-VGMNWLOBSA-N 1 0 201.335 1.505 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292826728 387185855 /nfs/dbraw/zinc/18/58/55/387185855.db2.gz XLADHXHGCUURNC-PSASIEDQSA-N 1 0 245.273 1.415 10 0 BDAERO CC1(C)CCN1[C@@]1(C[NH3+])CCSC1 ZINC000575589036 387186107 /nfs/dbraw/zinc/18/61/07/387186107.db2.gz NNWBSDWREODXGW-SNVBAGLBSA-N 1 0 200.351 1.305 10 0 BDAERO CC1(C)CCN1[C@]1(C[NH3+])CCSC1 ZINC000575589035 387186542 /nfs/dbraw/zinc/18/65/42/387186542.db2.gz NNWBSDWREODXGW-JTQLQIEISA-N 1 0 200.351 1.305 10 0 BDAERO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000300422602 387212211 /nfs/dbraw/zinc/21/22/11/387212211.db2.gz JEEFFLXPCBKUKL-LOWVWBTDSA-N 1 0 245.363 1.320 10 0 BDAERO C[C@@H]1C[C@H](N)C[N@@H+]1C1CCSCC1 ZINC000575593153 387224344 /nfs/dbraw/zinc/22/43/44/387224344.db2.gz YAVSAZNDESEZTJ-BDAKNGLRSA-N 1 0 200.351 1.304 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000286096624 387314294 /nfs/dbraw/zinc/31/42/94/387314294.db2.gz MISLTMSTZDJORD-FXPVBKGRSA-N 1 0 221.304 1.609 10 0 BDAERO CCc1ccccc1C(=O)N(C)C1C[NH2+]C1 ZINC000162052784 387316859 /nfs/dbraw/zinc/31/68/59/387316859.db2.gz HSAWPRVRKPHHCM-UHFFFAOYSA-N 1 0 218.300 1.293 10 0 BDAERO CCC[C@H](C(=O)N(C)CCC)[NH+](C)C ZINC000161831603 387272649 /nfs/dbraw/zinc/27/26/49/387272649.db2.gz CRFAVGRNZPFDND-SNVBAGLBSA-N 1 0 200.326 1.585 10 0 BDAERO CC1CN([C@]2(C[NH3+])CCCSC2)C1 ZINC000575493995 387286589 /nfs/dbraw/zinc/28/65/89/387286589.db2.gz NIWXEIXTXCGNJT-JTQLQIEISA-N 1 0 200.351 1.163 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1(C2CC2)CC1 ZINC000643499379 387289501 /nfs/dbraw/zinc/28/95/01/387289501.db2.gz KKVATKAFYLLEGQ-KOLCDFICSA-N 1 0 222.332 1.433 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000392944488 387303518 /nfs/dbraw/zinc/30/35/18/387303518.db2.gz XEJFQUJRVMHYSD-GUBZILKMSA-N 1 0 246.301 1.679 10 0 BDAERO COC(=O)[C@@H](C)N1CCC[C@@H]1c1ccco1 ZINC000121177912 387305772 /nfs/dbraw/zinc/30/57/72/387305772.db2.gz KYYVLGHCSVNJSY-NXEZZACHSA-N 1 0 223.272 1.978 10 0 BDAERO C[NH2+][C@@H]1CO[C@H]([C@]2(C)CCCS2)C1 ZINC000575511249 387383896 /nfs/dbraw/zinc/38/38/96/387383896.db2.gz XXAYJZJCJSMBIU-GUBZILKMSA-N 1 0 201.335 1.649 10 0 BDAERO COC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1F ZINC000020041981 387357978 /nfs/dbraw/zinc/35/79/78/387357978.db2.gz VFTQKGCPACCZRZ-SECBINFHSA-N 1 0 240.278 1.389 10 0 BDAERO C[C@@H]1CN[C@@]2(CC[NH2+][C@H](C)C2)SC1 ZINC000575511368 387382269 /nfs/dbraw/zinc/38/22/69/387382269.db2.gz DHFSNLWNWWSTCG-BBBLOLIVSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@@H]1CN[C@@]2(CC[NH2+]C(C)(C)C2)S1 ZINC000575512284 387383040 /nfs/dbraw/zinc/38/30/40/387383040.db2.gz MAEQFNWOKWLNSB-SCZZXKLOSA-N 1 0 200.351 1.570 10 0 BDAERO C[NH2+][C@@H]1CO[C@@H]([C@]2(C)CCCS2)C1 ZINC000575511248 387383384 /nfs/dbraw/zinc/38/33/84/387383384.db2.gz XXAYJZJCJSMBIU-AEJSXWLSSA-N 1 0 201.335 1.649 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000286908767 387346534 /nfs/dbraw/zinc/34/65/34/387346534.db2.gz MBYBDQRDFQJUBQ-ZKYQVNSYSA-N 1 0 244.338 1.583 10 0 BDAERO FCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000121463385 387353481 /nfs/dbraw/zinc/35/34/81/387353481.db2.gz HKUKMPZQWQCSOX-GHMZBOCLSA-N 1 0 201.285 1.989 10 0 BDAERO Cc1nccn1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352659179 387424256 /nfs/dbraw/zinc/42/42/56/387424256.db2.gz MFDSAXNPFKBGAP-OLZOCXBDSA-N 1 0 237.347 1.427 10 0 BDAERO [NH3+]Cc1ccncc1OC[C@H]1CCCCO1 ZINC000162463131 387424383 /nfs/dbraw/zinc/42/43/83/387424383.db2.gz NZENFNGZAOVUAV-LLVKDONJSA-N 1 0 222.288 1.488 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000035677111 387437654 /nfs/dbraw/zinc/43/76/54/387437654.db2.gz GHONVWPMFNOQSL-QMMMGPOBSA-N 1 0 202.204 1.247 10 0 BDAERO [NH2+]=C(NO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575521484 387452589 /nfs/dbraw/zinc/45/25/89/387452589.db2.gz WZIHRXWSUNQVMQ-LLVKDONJSA-N 1 0 219.288 1.465 10 0 BDAERO 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C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]1CO ZINC000309607661 388368677 /nfs/dbraw/zinc/36/86/77/388368677.db2.gz ZBEURRBJFPVGEE-SUZMYJTESA-N 1 0 223.291 1.727 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCC1 ZINC000322604687 388440771 /nfs/dbraw/zinc/44/07/71/388440771.db2.gz YQUTYTFRMSEVMV-CHWSQXEVSA-N 1 0 226.364 1.485 10 0 BDAERO C[C@](O)(c1cccs1)C1CC[NH2+]CC1 ZINC000071518309 388444438 /nfs/dbraw/zinc/44/44/38/388444438.db2.gz QKSLMLRRSYOJHS-LLVKDONJSA-N 1 0 211.330 1.955 10 0 BDAERO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)o1 ZINC000334745987 388447102 /nfs/dbraw/zinc/44/71/02/388447102.db2.gz MJHBFFANCGHLFF-MWLCHTKSSA-N 1 0 209.289 1.791 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccn1 ZINC000335598419 388451389 /nfs/dbraw/zinc/45/13/89/388451389.db2.gz XMBCHSMWRKULNB-JQWIXIFHSA-N 1 0 233.315 1.086 10 0 BDAERO Cc1cncc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c1 ZINC000335587963 388452026 /nfs/dbraw/zinc/45/20/26/388452026.db2.gz CUTNFPFWIYIFLT-DGCLKSJQSA-N 1 0 220.316 1.593 10 0 BDAERO C[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000194877828 388453806 /nfs/dbraw/zinc/45/38/06/388453806.db2.gz KWSYASKIJBNJHO-MVWJERBFSA-N 1 0 224.348 1.666 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)nc1 ZINC000336173044 388456848 /nfs/dbraw/zinc/45/68/48/388456848.db2.gz SAQPRVPMJZMPJV-ZYHUDNBSSA-N 1 0 233.315 1.147 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336655322 388459275 /nfs/dbraw/zinc/45/92/75/388459275.db2.gz NNWJUWZBADHPFX-GMTAPVOTSA-N 1 0 203.301 1.875 10 0 BDAERO Cc1cnccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000295729273 388413612 /nfs/dbraw/zinc/41/36/12/388413612.db2.gz OBZRUHGCIQYRSD-CHWSQXEVSA-N 1 0 220.316 1.641 10 0 BDAERO [NH3+]CC[S@@](=O)c1cc(F)ccc1F ZINC000040954928 388430055 /nfs/dbraw/zinc/43/00/55/388430055.db2.gz ROQBQIXIDLGFKO-ZDUSSCGKSA-N 1 0 205.229 1.031 10 0 BDAERO CC(C)(C)C[C@H](CO)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000393481037 388431378 /nfs/dbraw/zinc/43/13/78/388431378.db2.gz VBECSFHULZNLKD-NWDGAFQWSA-N 1 0 228.380 1.515 10 0 BDAERO CC(C)C1([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000339520709 388485449 /nfs/dbraw/zinc/48/54/49/388485449.db2.gz ZWOFDCSMSMOWEG-VIFPVBQESA-N 1 0 208.309 1.654 10 0 BDAERO Cc1nocc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000378751551 388495643 /nfs/dbraw/zinc/49/56/43/388495643.db2.gz OZSVDJPADMRGQM-QWRGUYRKSA-N 1 0 210.277 1.376 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC(F)(F)F)C1 ZINC000344704404 388508615 /nfs/dbraw/zinc/50/86/15/388508615.db2.gz AABGWSQXHXRHPV-JGVFFNPUSA-N 1 0 227.226 1.020 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H](C)CC(C)C)C1 ZINC000344711552 388509264 /nfs/dbraw/zinc/50/92/64/388509264.db2.gz LGHCTJJSFRHYSG-FRRDWIJNSA-N 1 0 229.364 1.750 10 0 BDAERO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCO[C@@H]1C ZINC000348117668 388525364 /nfs/dbraw/zinc/52/53/64/388525364.db2.gz MRZQBSAUYNFFCX-WZRBSPASSA-N 1 0 227.348 1.959 10 0 BDAERO CC(C)C1([NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000378861795 388525603 /nfs/dbraw/zinc/52/56/03/388525603.db2.gz RRTVFFORGYDLAH-LLVKDONJSA-N 1 0 245.388 1.589 10 0 BDAERO Fc1ccc(-c2ncn3c2C[NH2+]CC3)cc1 ZINC000082369219 388586916 /nfs/dbraw/zinc/58/69/16/388586916.db2.gz BTEYTJWTGOEGAN-UHFFFAOYSA-N 1 0 217.247 1.792 10 0 BDAERO O=c1[nH]c(C2CC[NH2+]CC2)nc2ccccc21 ZINC000082541583 388587085 /nfs/dbraw/zinc/58/70/85/388587085.db2.gz UGBXLANVRZBTLM-UHFFFAOYSA-N 1 0 229.283 1.390 10 0 BDAERO C(CN1CCCC1)NC1=[NH+]CCCS1 ZINC000054130292 388593258 /nfs/dbraw/zinc/59/32/58/388593258.db2.gz SYPCTVCDFGIYMS-UHFFFAOYSA-N 1 0 213.350 1.165 10 0 BDAERO [NH3+]C[C@H]1CCCN(c2ccnc3cccnc32)C1 ZINC000379200183 388598440 /nfs/dbraw/zinc/59/84/40/388598440.db2.gz HOEXBANVVOYHKA-LLVKDONJSA-N 1 0 242.326 1.805 10 0 BDAERO CCC[C@H](C)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000245846886 388608046 /nfs/dbraw/zinc/60/80/46/388608046.db2.gz LLPPNROAUQVQIQ-MELADBBJSA-N 1 0 242.407 1.810 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCF ZINC000245968917 388612617 /nfs/dbraw/zinc/61/26/17/388612617.db2.gz FJWMIMJQAGWVAT-NEPJUHHUSA-N 1 0 214.328 1.905 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC000082432340 388615260 /nfs/dbraw/zinc/61/52/60/388615260.db2.gz DTQZSBVWAXTUTB-SNVBAGLBSA-N 1 0 228.336 1.805 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)COC ZINC000245479425 388583370 /nfs/dbraw/zinc/58/33/70/388583370.db2.gz WIRKKUWFSWELEN-VXGBXAGGSA-N 1 0 214.353 1.437 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)C(C)C ZINC000246198814 388622409 /nfs/dbraw/zinc/62/24/09/388622409.db2.gz MVXHMFLLOLRCIL-NEPJUHHUSA-N 1 0 241.379 1.814 10 0 BDAERO CCC[C@@H](CN[C@@H]1CC[NH2+]C1)OCC ZINC000530207318 388626801 /nfs/dbraw/zinc/62/68/01/388626801.db2.gz DDUJOKFSRVVSCN-MNOVXSKESA-N 1 0 200.326 1.143 10 0 BDAERO CC(=O)OC[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC000396165452 388629086 /nfs/dbraw/zinc/62/90/86/388629086.db2.gz VOKRTMGCPJNIGN-LLVKDONJSA-N 1 0 211.305 1.719 10 0 BDAERO C[C@@H]1C[NH2+]CCC12CN(C(=O)OC(C)(C)C)C2 ZINC000575440826 388632775 /nfs/dbraw/zinc/63/27/75/388632775.db2.gz JOLHQICFIFKJQI-SNVBAGLBSA-N 1 0 240.347 1.853 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000125993746 388684840 /nfs/dbraw/zinc/68/48/40/388684840.db2.gz GMFJBNUFKOJFRV-ZDUSSCGKSA-N 1 0 236.363 1.302 10 0 BDAERO CCOC[C@@H](C)[NH2+][C@H]1CCN(CC)C1 ZINC000328459131 388643938 /nfs/dbraw/zinc/64/39/38/388643938.db2.gz GNSMTAFLVXGFIF-MNOVXSKESA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000246567352 388644128 /nfs/dbraw/zinc/64/41/28/388644128.db2.gz XQENYWWCKCSWAV-XQHKEYJVSA-N 1 0 226.364 1.482 10 0 BDAERO COc1c(C[N@@H+]2CC[C@H](C)[C@H]2C)c(C)nn1C ZINC000247294061 388662482 /nfs/dbraw/zinc/66/24/82/388662482.db2.gz ZIOPPEGROAIIMK-GXSJLCMTSA-N 1 0 237.347 1.967 10 0 BDAERO C1C[C@H](SC2=[NH+]CCCCN2)CO1 ZINC000575453345 388748854 /nfs/dbraw/zinc/74/88/54/388748854.db2.gz CZSHFTZZXPHYSZ-QMMMGPOBSA-N 1 0 200.307 1.248 10 0 BDAERO CCC[C@H](C)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000249269309 388714051 /nfs/dbraw/zinc/71/40/51/388714051.db2.gz JTJQABMGCDJAMP-QWHCGFSZSA-N 1 0 237.347 1.773 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)C)C1 ZINC000193780888 388715758 /nfs/dbraw/zinc/71/57/58/388715758.db2.gz GVUAHHQMDCUWJM-LLVKDONJSA-N 1 0 241.379 1.816 10 0 BDAERO CC(C)OC(=O)NCC[N@H+](C)C1CC1 ZINC000127335103 388721228 /nfs/dbraw/zinc/72/12/28/388721228.db2.gz KMMNJVHFKWHPLJ-UHFFFAOYSA-N 1 0 200.282 1.215 10 0 BDAERO NC(=[NH2+])NCC1CCC(C(F)(F)F)CC1 ZINC000262340115 135293920 /nfs/dbraw/zinc/29/39/20/135293920.db2.gz CKBWWIRNPBURAS-UHFFFAOYSA-N 1 0 223.242 1.838 10 0 BDAERO C[NH2+][C@@H](C(N)=O)c1ccc(OC(F)(F)F)cc1 ZINC000037869910 388730030 /nfs/dbraw/zinc/73/00/30/388730030.db2.gz GPLICTLLZSPSAY-MRVPVSSYSA-N 1 0 248.204 1.331 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000554312422 388809301 /nfs/dbraw/zinc/80/93/01/388809301.db2.gz WGAWVIXETXCAHN-SNVBAGLBSA-N 1 0 240.734 1.939 10 0 BDAERO CO[C@@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068128554 388759826 /nfs/dbraw/zinc/75/98/26/388759826.db2.gz JJGJPXBHKAPQAO-WDEREUQCSA-N 1 0 230.352 1.114 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](C)SC ZINC000227896368 388760936 /nfs/dbraw/zinc/76/09/36/388760936.db2.gz XDICAHWNALIGMA-QWRGUYRKSA-N 1 0 235.393 1.505 10 0 BDAERO OC1CC(C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000091525617 388765485 /nfs/dbraw/zinc/76/54/85/388765485.db2.gz ZVYLKHDIXFLUAP-UHFFFAOYSA-N 1 0 245.244 1.964 10 0 BDAERO C[C@H](O)CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000228035371 388766228 /nfs/dbraw/zinc/76/62/28/388766228.db2.gz PROMFMZSZAXLHT-BJDJZHNGSA-N 1 0 227.348 1.551 10 0 BDAERO C(C1SCCS1)N1CCC[NH2+]CC1 ZINC000575455430 388776157 /nfs/dbraw/zinc/77/61/57/388776157.db2.gz BZIJRPLDOOYJSU-UHFFFAOYSA-N 1 0 218.391 1.088 10 0 BDAERO CC[C@@H]1C[N@H+](C[C@@](C)(O)CC)CCO1 ZINC000229383600 388787376 /nfs/dbraw/zinc/78/73/76/388787376.db2.gz OYJIGDJXTGFXRN-MNOVXSKESA-N 1 0 201.310 1.258 10 0 BDAERO CCC(CC)[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000230606696 388827091 /nfs/dbraw/zinc/82/70/91/388827091.db2.gz GGUXNUOQLQBJGW-UPJWGTAASA-N 1 0 229.364 1.677 10 0 BDAERO COc1ncc([C@@]2([NH3+])CCSC2)s1 ZINC000575463314 388831332 /nfs/dbraw/zinc/83/13/32/388831332.db2.gz GADWUJIQKFKPTP-MRVPVSSYSA-N 1 0 216.331 1.443 10 0 BDAERO CC(C)(C)[S@](=O)[C@H]1CCC[NH2+]CC1 ZINC000575496249 388969847 /nfs/dbraw/zinc/96/98/47/388969847.db2.gz LCEULIKOAXPPNK-TVQRCGJNSA-N 1 0 203.351 1.676 10 0 BDAERO C[C@@H]([NH3+])/C=C/c1cc(Br)nn1C ZINC000575501796 388990561 /nfs/dbraw/zinc/99/05/61/388990561.db2.gz HHVZMDZXJVUWDS-FCJGRKLLSA-N 1 0 230.109 1.543 10 0 BDAERO C[NH2+][C@@H]1CO[C@]2(C1)CCCS[C@@H]2C ZINC000575506801 388991577 /nfs/dbraw/zinc/99/15/77/388991577.db2.gz JSPSDIMRDWAQTM-UTLUCORTSA-N 1 0 201.335 1.649 10 0 BDAERO c1ncn(CC[NH2+][C@@H]2CCCc3ccccc32)n1 ZINC000268788516 389004241 /nfs/dbraw/zinc/00/42/41/389004241.db2.gz AXNNTDLEUZZYHB-CQSZACIVSA-N 1 0 242.326 1.945 10 0 BDAERO CC[C@H](O)C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273097502 389038294 /nfs/dbraw/zinc/03/82/94/389038294.db2.gz LFARLHLFPRIFNP-NWDGAFQWSA-N 1 0 243.734 1.734 10 0 BDAERO Cc1cccc(N2CCC(CC[NH3+])CC2)n1 ZINC000039110170 132346684 /nfs/dbraw/zinc/34/66/84/132346684.db2.gz RISACHBLNLYELP-UHFFFAOYSA-N 1 0 219.332 1.955 10 0 BDAERO C[C@H]1C[C@H](C)CN(c2[nH+]cc(N)cc2N)C1 ZINC000039110252 132346771 /nfs/dbraw/zinc/34/67/71/132346771.db2.gz UKPBBCTZVDDLDQ-IUCAKERBSA-N 1 0 220.320 1.728 10 0 BDAERO C[C@@H]1C[NH2+]CCN1c1ccc(F)c(F)c1F ZINC000041252199 132349778 /nfs/dbraw/zinc/34/97/78/132349778.db2.gz ZINPWFSWEGPNPY-SSDOTTSWSA-N 1 0 230.233 1.902 10 0 BDAERO CC[C@H]1CO[C@@H](C)CN1c1cc(N)cc[nH+]1 ZINC000043568959 132353712 /nfs/dbraw/zinc/35/37/12/132353712.db2.gz DSXPUMIIVJXSEQ-ONGXEEELSA-N 1 0 221.304 1.668 10 0 BDAERO Fc1cnc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc1 ZINC000269446760 132194471 /nfs/dbraw/zinc/19/44/71/132194471.db2.gz COPPQNIAROGWDK-LLVKDONJSA-N 1 0 236.294 1.290 10 0 BDAERO CN1c2ccccc2CC[C@@H]1C1=[NH+]CCN1 ZINC000029337272 132294883 /nfs/dbraw/zinc/29/48/83/132294883.db2.gz UZBXSESVUXAADX-GFCCVEGCSA-N 1 0 215.300 1.439 10 0 BDAERO CC(C)(C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000038808830 132295494 /nfs/dbraw/zinc/29/54/94/132295494.db2.gz VZAIVOISORCACP-UHFFFAOYSA-N 1 0 233.359 1.546 10 0 BDAERO Cc1cccc2c1O[C@H](C1=[NH+]CCN1)CN2C ZINC000003917465 132315910 /nfs/dbraw/zinc/31/59/10/132315910.db2.gz BGCYQKUTUDBVPZ-NSHDSACASA-N 1 0 231.299 1.194 10 0 BDAERO Nc1ccc2c(c1)N1CC[N@H+](CC3CC3)[C@@H](C2)C1 ZINC000005162066 132317206 /nfs/dbraw/zinc/31/72/06/132317206.db2.gz GHRJENZEMOBTAF-AWEZNQCLSA-N 1 0 243.354 1.726 10 0 BDAERO CN1c2ccccc2SC[C@H]1CC[NH3+] ZINC000019723396 132326291 /nfs/dbraw/zinc/32/62/91/132326291.db2.gz QGJJMHYBVKEVDA-SECBINFHSA-N 1 0 208.330 1.946 10 0 BDAERO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cc2)CCO1 ZINC000019865738 132327895 /nfs/dbraw/zinc/32/78/95/132327895.db2.gz FOUKYMDOZNKEHQ-SECBINFHSA-N 1 0 219.288 1.196 10 0 BDAERO C[C@H]1CN(c2ccc(C(N)=[NH2+])cc2)CCO1 ZINC000019865741 132328017 /nfs/dbraw/zinc/32/80/17/132328017.db2.gz FOUKYMDOZNKEHQ-VIFPVBQESA-N 1 0 219.288 1.196 10 0 BDAERO C[C@H]1CN(c2ccccc2C(N)=[NH2+])CCO1 ZINC000020075846 132329666 /nfs/dbraw/zinc/32/96/66/132329666.db2.gz DPEUYTSVZDIICY-VIFPVBQESA-N 1 0 219.288 1.196 10 0 BDAERO Cc1ccc(N)c(N2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000036250692 132341290 /nfs/dbraw/zinc/34/12/90/132341290.db2.gz KBEDEZHDGTZIJE-UWVGGRQHSA-N 1 0 221.304 1.586 10 0 BDAERO C[C@@H](C[NH3+])CN1CC(=O)Nc2ccccc21 ZINC000036677602 132342250 /nfs/dbraw/zinc/34/22/50/132342250.db2.gz ASNFAEMEDLYGDU-VIFPVBQESA-N 1 0 219.288 1.040 10 0 BDAERO NC(=[NH2+])c1ccc(N2CCC(CO)CC2)cc1 ZINC000036720973 132342526 /nfs/dbraw/zinc/34/25/26/132342526.db2.gz REXZIPFMSIIFDJ-UHFFFAOYSA-N 1 0 233.315 1.179 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1c1ncccc1C[NH3+] ZINC000036794462 132342825 /nfs/dbraw/zinc/34/28/25/132342825.db2.gz UVRMWYVAWQAXOZ-CMPLNLGQSA-N 1 0 235.331 1.544 10 0 BDAERO C[C@H]1CN(c2ccc(F)cc2C[NH3+])CCO1 ZINC000037236109 132343875 /nfs/dbraw/zinc/34/38/75/132343875.db2.gz AIBNKIVWNILGMN-VIFPVBQESA-N 1 0 224.279 1.510 10 0 BDAERO Cc1cccc2c1N(C(=O)C[NH3+])CCC2 ZINC000040856215 132348628 /nfs/dbraw/zinc/34/86/28/132348628.db2.gz BBPKDIMIJDQAQG-UHFFFAOYSA-N 1 0 204.273 1.233 10 0 BDAERO CCCO[C@@H]1CCCN(c2ccc(C[NH3+])cn2)C1 ZINC000042408089 132351536 /nfs/dbraw/zinc/35/15/36/132351536.db2.gz JQVZKCQDXRWPAA-CYBMUJFWSA-N 1 0 249.358 1.936 10 0 BDAERO CC[C@H]1COCCN1c1cc(N)cc[nH+]1 ZINC000043568993 132353732 /nfs/dbraw/zinc/35/37/32/132353732.db2.gz URDZAJAMURBMGC-JTQLQIEISA-N 1 0 207.277 1.279 10 0 BDAERO CC1(C)COCCN1c1ccccc1C[NH3+] ZINC000044383479 132353939 /nfs/dbraw/zinc/35/39/39/132353939.db2.gz QNJSGRYTBKFPHW-UHFFFAOYSA-N 1 0 220.316 1.761 10 0 BDAERO [NH3+]C[C@@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000044531822 132354253 /nfs/dbraw/zinc/35/42/53/132354253.db2.gz GEQUPVXKJXLUAZ-QMMMGPOBSA-N 1 0 226.711 1.305 10 0 BDAERO CC[C@H]([NH3+])CN1c2ccccc2CCC1=O ZINC000050180239 132358729 /nfs/dbraw/zinc/35/87/29/132358729.db2.gz CXQQWJXYENGAGZ-NSHDSACASA-N 1 0 218.300 1.703 10 0 BDAERO Cc1ccc(C[NH3+])cc1N1CCCNC1=O ZINC000050430535 132358825 /nfs/dbraw/zinc/35/88/25/132358825.db2.gz CMQAJFXUHBBFOR-UHFFFAOYSA-N 1 0 219.288 1.373 10 0 BDAERO Cc1ccc(C[NH3+])cc1N1C(=O)CCCC1=O ZINC000050430515 132358992 /nfs/dbraw/zinc/35/89/92/132358992.db2.gz RCMBNVVURDBWIJ-UHFFFAOYSA-N 1 0 232.283 1.497 10 0 BDAERO C[C@@H]1CCCN(c2ccc(C[NH3+])nn2)[C@@H]1C ZINC000051396026 132359998 /nfs/dbraw/zinc/35/99/98/132359998.db2.gz OKPGZNGKLLTIFK-NXEZZACHSA-N 1 0 220.320 1.560 10 0 BDAERO C[C@H]1CCCCN1c1ccc(C[NH3+])nn1 ZINC000051396150 132360122 /nfs/dbraw/zinc/36/01/22/132360122.db2.gz CAQNVNPERKMMAM-VIFPVBQESA-N 1 0 206.293 1.314 10 0 BDAERO CC[C@H]1CN(c2ccnc(C[NH3+])c2)CCO1 ZINC000051396888 132360438 /nfs/dbraw/zinc/36/04/38/132360438.db2.gz VMIIWGQQBNIOGB-LBPRGKRZSA-N 1 0 221.304 1.156 10 0 BDAERO CC(C)[NH2+]Cc1cc(N2CCOCC2)ccn1 ZINC000051399209 132360793 /nfs/dbraw/zinc/36/07/93/132360793.db2.gz QNDVJFJBIVQOHF-UHFFFAOYSA-N 1 0 235.331 1.416 10 0 BDAERO CCC[NH2+]Cc1cccnc1N1CCOC[C@H]1C ZINC000051443942 132360934 /nfs/dbraw/zinc/36/09/34/132360934.db2.gz GKFXPSCWJKGKJS-GFCCVEGCSA-N 1 0 249.358 1.806 10 0 BDAERO CC[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000051437910 132361079 /nfs/dbraw/zinc/36/10/79/132361079.db2.gz TYOSIEUPZPRNDV-UHFFFAOYSA-N 1 0 237.372 1.744 10 0 BDAERO Cc1ccc(C[NH3+])c(N2CCOC[C@@H]2C)c1 ZINC000051578931 132361274 /nfs/dbraw/zinc/36/12/74/132361274.db2.gz KSDKEZUFICJNTP-NSHDSACASA-N 1 0 220.316 1.679 10 0 BDAERO C[NH2+]Cc1ccc(N2CCO[C@H]3CCC[C@@H]32)nc1 ZINC000051485702 132361329 /nfs/dbraw/zinc/36/13/29/132361329.db2.gz FIGKRRXOPMQZJA-STQMWFEESA-N 1 0 247.342 1.559 10 0 BDAERO [NH3+]Cc1cc(N2CCCNC2=O)ccc1F ZINC000051636970 132361536 /nfs/dbraw/zinc/36/15/36/132361536.db2.gz FCQHGVGQQZSNHG-UHFFFAOYSA-N 1 0 223.251 1.204 10 0 BDAERO O=C1CCc2cc(F)ccc2N1C[C@H]1CC[NH2+]C1 ZINC000051890398 132362004 /nfs/dbraw/zinc/36/20/04/132362004.db2.gz NXNQLWXEDCQZGR-JTQLQIEISA-N 1 0 248.301 1.714 10 0 BDAERO Cc1cccnc1N1C[C@H](C[NH3+])CC[C@@H]1C ZINC000053704094 132363099 /nfs/dbraw/zinc/36/30/99/132363099.db2.gz IMHOHZAAAOCBSL-RYUDHWBXSA-N 1 0 219.332 1.954 10 0 BDAERO CCC[NH2+]C[C@H]1CCCCN1c1ncccn1 ZINC000053698713 132363145 /nfs/dbraw/zinc/36/31/45/132363145.db2.gz VUTBQEWZDHANKD-GFCCVEGCSA-N 1 0 234.347 1.835 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1cc(C)ccn1 ZINC000053706855 132363304 /nfs/dbraw/zinc/36/33/04/132363304.db2.gz YCSGHDBKFXZPKP-GFCCVEGCSA-N 1 0 219.332 1.968 10 0 BDAERO C[C@H]1CC[C@H](C[NH3+])CN1c1ccc(F)cn1 ZINC000053704748 132363428 /nfs/dbraw/zinc/36/34/28/132363428.db2.gz VDNCKOBMAQYDDQ-VHSXEESVSA-N 1 0 223.295 1.784 10 0 BDAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc(F)cn1 ZINC000053704751 132363453 /nfs/dbraw/zinc/36/34/53/132363453.db2.gz VDNCKOBMAQYDDQ-ZJUUUORDSA-N 1 0 223.295 1.784 10 0 BDAERO Cc1cc(N2CC[NH2+][C@@H](C)C2)ccc1F ZINC000054348279 132364073 /nfs/dbraw/zinc/36/40/73/132364073.db2.gz METXGDXLECSZEW-JTQLQIEISA-N 1 0 208.280 1.932 10 0 BDAERO Cc1[nH+]ccc(N2CCO[C@@H](CO)C2)c1Cl ZINC000309269783 132365389 /nfs/dbraw/zinc/36/53/89/132365389.db2.gz DIGJDEWUDPTSSI-SECBINFHSA-N 1 0 242.706 1.241 10 0 BDAERO C[C@@H]1CN(c2ccc(F)cc2F)CC[NH2+]1 ZINC000055237895 132365422 /nfs/dbraw/zinc/36/54/22/132365422.db2.gz PLCVJKQETZOSSR-MRVPVSSYSA-N 1 0 212.243 1.763 10 0 BDAERO C[NH2+]Cc1cccc(N2CCn3ccnc3C2)n1 ZINC000062324421 132387500 /nfs/dbraw/zinc/38/75/00/132387500.db2.gz RFVMBEBMXCYNFD-UHFFFAOYSA-N 1 0 243.314 1.018 10 0 BDAERO Cc1ccnc(N2CC[C@@H](C)C[C@@H]2C[NH3+])n1 ZINC000235386146 132395229 /nfs/dbraw/zinc/39/52/29/132395229.db2.gz JFRMTPFSQBBFEW-MWLCHTKSSA-N 1 0 220.320 1.349 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1ncccc1O ZINC000095072418 132429388 /nfs/dbraw/zinc/42/93/88/132429388.db2.gz UKRUROHPYQKPMK-VIFPVBQESA-N 1 0 207.277 1.105 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nccnc2C)C1 ZINC000408447613 133495217 /nfs/dbraw/zinc/49/52/17/133495217.db2.gz ZBDCZGNRNNWSDS-JQWIXIFHSA-N 1 0 248.330 1.056 10 0 BDAERO O=C(NC1C[NH2+]C1)c1cccc(F)c1Cl ZINC000165361077 133653849 /nfs/dbraw/zinc/65/38/49/133653849.db2.gz KRXZLORFTTYCIY-UHFFFAOYSA-N 1 0 228.654 1.181 10 0 BDAERO C[C@H]1CN(C(=O)CCc2cccs2)C[C@@H]1[NH3+] ZINC000335485298 133881807 /nfs/dbraw/zinc/88/18/07/133881807.db2.gz ZIHMFUYNKBIQFC-ONGXEEELSA-N 1 0 238.356 1.486 10 0 BDAERO C[C@H]1CC[C@H]([NH+]2CCN(c3nccn3C)CC2)C1 ZINC000336033823 134059309 /nfs/dbraw/zinc/05/93/09/134059309.db2.gz MRRLCRTTZPOTEW-STQMWFEESA-N 1 0 248.374 1.731 10 0 BDAERO CO[C@H](C)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000168704469 134246453 /nfs/dbraw/zinc/24/64/53/134246453.db2.gz QDDVCLVTMFKGCN-QJPTWQEYSA-N 1 0 240.347 1.107 10 0 BDAERO C[C@H](O)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169242840 134249922 /nfs/dbraw/zinc/24/99/22/134249922.db2.gz KEEJRILJRMIOBX-TVYUQYBPSA-N 1 0 220.316 1.492 10 0 BDAERO CN(C(=O)c1ccc(Cl)cc1F)C1C[NH2+]C1 ZINC000085257501 134267252 /nfs/dbraw/zinc/26/72/52/134267252.db2.gz BZZCWGHIZMUGRN-UHFFFAOYSA-N 1 0 242.681 1.523 10 0 BDAERO CN(C(=O)CCC1CCCC1)C1C[NH2+]C1 ZINC000085257712 134269913 /nfs/dbraw/zinc/26/99/13/134269913.db2.gz UBFRVXSPSLZLDD-UHFFFAOYSA-N 1 0 210.321 1.387 10 0 BDAERO COC[C@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000173605512 134275972 /nfs/dbraw/zinc/27/59/72/134275972.db2.gz PKVKOVZFKRLTJD-NSHDSACASA-N 1 0 237.347 1.634 10 0 BDAERO Cc1cnoc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000174391545 134280733 /nfs/dbraw/zinc/28/07/33/134280733.db2.gz RLIHEQYJEZFIBR-UHFFFAOYSA-N 1 0 249.314 1.293 10 0 BDAERO CC(C)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177249835 134296857 /nfs/dbraw/zinc/29/68/57/134296857.db2.gz RMWGRAMRXZKBOR-STQMWFEESA-N 1 0 226.364 1.295 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](Cc3cncn3C)C2)cn1 ZINC000177081512 134297229 /nfs/dbraw/zinc/29/72/29/134297229.db2.gz JFJBHRRTAWKMQN-NSHDSACASA-N 1 0 245.330 1.143 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](Cc3cncn3C)C2)cn1 ZINC000177081494 134297384 /nfs/dbraw/zinc/29/73/84/134297384.db2.gz JFJBHRRTAWKMQN-LLVKDONJSA-N 1 0 245.330 1.143 10 0 BDAERO CCO[C@H]1C[C@H]1C(=O)NCC([NH3+])(CC)CC ZINC000178278617 134305629 /nfs/dbraw/zinc/30/56/29/134305629.db2.gz MURMDVMSYBXPCT-ZJUUUORDSA-N 1 0 228.336 1.045 10 0 BDAERO COC[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220394751 134306332 /nfs/dbraw/zinc/30/63/32/134306332.db2.gz KGTTZCRLZZZUBQ-XQQFMLRXSA-N 1 0 227.348 1.648 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)C1CCC1 ZINC000178355523 134308685 /nfs/dbraw/zinc/30/86/85/134308685.db2.gz FCLQJYGKCSNMAG-GXSJLCMTSA-N 1 0 220.320 1.891 10 0 BDAERO COC[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178332021 134308961 /nfs/dbraw/zinc/30/89/61/134308961.db2.gz NZGREHVVVIILRS-WCQYABFASA-N 1 0 237.347 1.691 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178363380 134309283 /nfs/dbraw/zinc/30/92/83/134309283.db2.gz MXBKUZSQCXLVSO-BNOWGMLFSA-N 1 0 235.327 1.659 10 0 BDAERO OCCn1nccc1C1CC[NH+](C2CCC2)CC1 ZINC000178988667 134314242 /nfs/dbraw/zinc/31/42/42/134314242.db2.gz SWKBIBLKYIBQDV-UHFFFAOYSA-N 1 0 249.358 1.607 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C(C)(C)C ZINC000220980249 134315234 /nfs/dbraw/zinc/31/52/34/134315234.db2.gz ZPLGXOBRTRGXRH-CHWSQXEVSA-N 1 0 242.407 1.810 10 0 BDAERO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000179208458 134318777 /nfs/dbraw/zinc/31/87/77/134318777.db2.gz GKSIMYWTSDCGRQ-KKOKHZNYSA-N 1 0 240.347 1.044 10 0 BDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C1CCC1)CC2 ZINC000180628781 134330369 /nfs/dbraw/zinc/33/03/69/134330369.db2.gz WIKOTTUSDXHKDR-CMPLNLGQSA-N 1 0 248.374 1.934 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222738925 134334195 /nfs/dbraw/zinc/33/41/95/134334195.db2.gz OZHSPGSYONHBHC-IJLUTSLNSA-N 1 0 214.353 1.484 10 0 BDAERO CCc1nnc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)[nH]1 ZINC000181704485 134338860 /nfs/dbraw/zinc/33/88/60/134338860.db2.gz LBYMFEBLSNPOTP-WDEREUQCSA-N 1 0 249.362 1.036 10 0 BDAERO CO[C@@H](C)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000182146359 134342467 /nfs/dbraw/zinc/34/24/67/134342467.db2.gz PMKVFNQAKTZHNU-LBPRGKRZSA-N 1 0 237.347 1.630 10 0 BDAERO Cc1nccc(C[NH2+]CC[C@H]2CCCCO2)n1 ZINC000223831872 134343291 /nfs/dbraw/zinc/34/32/91/134343291.db2.gz UVURNYHYWYVZHJ-CYBMUJFWSA-N 1 0 235.331 1.834 10 0 BDAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCC[C@@H]1O ZINC000224315949 134345822 /nfs/dbraw/zinc/34/58/22/134345822.db2.gz RWYRRALOCFTOGT-KTCIRNNBSA-N 1 0 225.332 1.278 10 0 BDAERO OC[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000224466359 134347716 /nfs/dbraw/zinc/34/77/16/134347716.db2.gz MCFPFSMITYQUJK-YPMHNXCESA-N 1 0 233.311 1.304 10 0 BDAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CC1CCCCCC1 ZINC000184004484 134356282 /nfs/dbraw/zinc/35/62/82/134356282.db2.gz IPLXVMXNGYCSSG-CHWSQXEVSA-N 1 0 227.348 1.384 10 0 BDAERO CCc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000184005889 134356329 /nfs/dbraw/zinc/35/63/29/134356329.db2.gz GZIWOKBUTDTRNL-KGLIPLIRSA-N 1 0 235.327 1.177 10 0 BDAERO CCC(O)(CC)C[NH+]1CCC([C@H](C)O)CC1 ZINC000226014069 134358841 /nfs/dbraw/zinc/35/88/41/134358841.db2.gz ZMGAWVIBKKBBBP-NSHDSACASA-N 1 0 229.364 1.630 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@H]2O)C[C@@H]1N(C)C ZINC000226250837 134362157 /nfs/dbraw/zinc/36/21/57/134362157.db2.gz QQTFTUBNICIMCH-FVCCEPFGSA-N 1 0 226.364 1.172 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C=C3CCC3)C[C@@H]12 ZINC000185095051 134373087 /nfs/dbraw/zinc/37/30/87/134373087.db2.gz SGCWHUIDBPEYMS-QJPTWQEYSA-N 1 0 220.316 1.292 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000227510057 134382263 /nfs/dbraw/zinc/38/22/63/134382263.db2.gz JAKFHCXPWCLKDX-YWPUVAFDSA-N 1 0 227.348 1.431 10 0 BDAERO CO[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000227460109 134384386 /nfs/dbraw/zinc/38/43/86/134384386.db2.gz NCDJXLJSZHXQRL-WYUUTHIRSA-N 1 0 240.347 1.058 10 0 BDAERO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CN(C)CCO1 ZINC000186396330 134418712 /nfs/dbraw/zinc/41/87/12/134418712.db2.gz UYTDOBZEUMINLS-AAEUAGOBSA-N 1 0 226.364 1.485 10 0 BDAERO CCCn1ccc(C[NH2+]CC(=O)NCC)c1 ZINC000085605446 134441519 /nfs/dbraw/zinc/44/15/19/134441519.db2.gz KUENHLHUDKMDBD-UHFFFAOYSA-N 1 0 223.320 1.124 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000230955035 134537169 /nfs/dbraw/zinc/53/71/69/134537169.db2.gz XRVJMYCVCKOIBO-ZDUSSCGKSA-N 1 0 238.306 1.958 10 0 BDAERO CCOCCCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000231477803 134542334 /nfs/dbraw/zinc/54/23/34/134542334.db2.gz YJHSIDPCTJJFNC-LBPRGKRZSA-N 1 0 242.363 1.404 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232145721 134550252 /nfs/dbraw/zinc/55/02/52/134550252.db2.gz FSASGEGAIXYUNI-KGLIPLIRSA-N 1 0 241.375 1.632 10 0 BDAERO O=C(c1ccccn1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190745198 134565178 /nfs/dbraw/zinc/56/51/78/134565178.db2.gz VASLJIMLBMGDBL-NSHDSACASA-N 1 0 245.326 1.438 10 0 BDAERO C[C@H]([NH3+])c1ccc(NC(=O)c2cn(C)cn2)cc1 ZINC000235518120 134594345 /nfs/dbraw/zinc/59/43/45/134594345.db2.gz FZGSRNYMFYHRFN-VIFPVBQESA-N 1 0 244.298 1.692 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000235648711 134596806 /nfs/dbraw/zinc/59/68/06/134596806.db2.gz VSZFKQDDCKEEEG-GXFFZTMASA-N 1 0 247.342 1.172 10 0 BDAERO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000154629041 134673800 /nfs/dbraw/zinc/67/38/00/134673800.db2.gz LWADVVCJLAOVKD-WOPDTQHZSA-N 1 0 242.363 1.400 10 0 BDAERO COc1cc(N(C)CC[C@@H]([NH3+])C(C)C)ncn1 ZINC000133617450 134686921 /nfs/dbraw/zinc/68/69/21/134686921.db2.gz HDEKARWBSMWMAU-SNVBAGLBSA-N 1 0 238.335 1.295 10 0 BDAERO C[C@@H](CC[NH3+])Nc1ccccc1S(C)(=O)=O ZINC000134267998 134706236 /nfs/dbraw/zinc/70/62/36/134706236.db2.gz DJCNYYGVWFXSDW-VIFPVBQESA-N 1 0 242.344 1.239 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC3(CCC3)C2)C1 ZINC000158885057 134752272 /nfs/dbraw/zinc/75/22/72/134752272.db2.gz PDKIBILZGBGHMK-GHMZBOCLSA-N 1 0 222.332 1.516 10 0 BDAERO [NH3+]Cc1ccc(NC(=O)c2cncc(F)c2)cc1 ZINC000159214122 134764794 /nfs/dbraw/zinc/76/47/94/134764794.db2.gz HGWPKDQDIUUVLM-UHFFFAOYSA-N 1 0 245.257 1.932 10 0 BDAERO C[C@H]([NH3+])CCNc1ccncc1Br ZINC000159896325 134794394 /nfs/dbraw/zinc/79/43/94/134794394.db2.gz MCRZGMUSEBLMKB-ZETCQYMHSA-N 1 0 244.136 1.993 10 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CCC1(C[NH+]2C[C@H](C)N[C@@H](C)C2)CCOCC1 ZINC000335335239 136055631 /nfs/dbraw/zinc/05/56/31/136055631.db2.gz NJCJDXJDXNUXGQ-STQMWFEESA-N 1 0 240.391 1.875 10 0 BDAERO COc1cncc(C[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000348209156 136055727 /nfs/dbraw/zinc/05/57/27/136055727.db2.gz JGQCTDNCWXNUNK-CABZTGNLSA-N 1 0 222.288 1.357 10 0 BDAERO CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCCN1)C(C)C ZINC000166113281 136070450 /nfs/dbraw/zinc/07/04/50/136070450.db2.gz RVVRUBUBZUECKY-XQQFMLRXSA-N 1 0 228.380 1.778 10 0 BDAERO C[C@H]1CN(C(=O)c2cc(Cl)ccn2)C[C@@H]1[NH3+] ZINC000335378054 136086314 /nfs/dbraw/zinc/08/63/14/136086314.db2.gz BFOUZHHLKTYLKT-CBAPKCEASA-N 1 0 239.706 1.154 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1CCSCC1 ZINC000335596254 136104972 /nfs/dbraw/zinc/10/49/72/136104972.db2.gz GPDWHEBRZMGYME-ONGXEEELSA-N 1 0 242.388 1.386 10 0 BDAERO CC(C)CN(C)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000037108906 166931077 /nfs/dbraw/zinc/93/10/77/166931077.db2.gz HSSBJSCOJGZYBT-LLVKDONJSA-N 1 0 212.337 1.633 10 0 BDAERO CCC1CCC(CNC(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054075611 322855110 /nfs/dbraw/zinc/85/51/10/322855110.db2.gz BHCAXGUESGRMLA-VOMCLLRMSA-N 1 0 226.364 1.927 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCC(=O)c2ccccc2)C1 ZINC000401897488 533673966 /nfs/dbraw/zinc/67/39/66/533673966.db2.gz LFIGIJRQHVCCOA-TZMCWYRMSA-N 1 0 247.338 1.962 10 0 BDAERO CC[C@@H](C)CN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290754 322856139 /nfs/dbraw/zinc/85/61/39/322856139.db2.gz DDAVPGWTDBVLHH-VXGBXAGGSA-N 1 0 226.364 1.881 10 0 BDAERO CC(C)CNC(=O)C[C@H](C[NH3+])c1ccccc1 ZINC000057524297 166986331 /nfs/dbraw/zinc/98/63/31/166986331.db2.gz ULLSEQBMBJLPKQ-CYBMUJFWSA-N 1 0 234.343 1.891 10 0 BDAERO C[NH+](C)[C@@H]1CC[C@@H](Nc2ncc(F)cn2)C1 ZINC000301943222 397792419 /nfs/dbraw/zinc/79/24/19/397792419.db2.gz YBBXNUGOYYDWMW-NXEZZACHSA-N 1 0 224.283 1.510 10 0 BDAERO CSCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000171504663 397827403 /nfs/dbraw/zinc/82/74/03/397827403.db2.gz KHWVWLKWOJFBIP-NSHDSACASA-N 1 0 225.361 1.920 10 0 BDAERO C[C@](O)(C[NH3+])c1ccc(Br)cn1 ZINC000575500411 397968740 /nfs/dbraw/zinc/96/87/40/397968740.db2.gz RGSDVVCKKIDMGO-QMMMGPOBSA-N 1 0 231.093 1.010 10 0 BDAERO Brc1cnc2c(c1)CC[NH2+]CC2 ZINC000575447798 397933588 /nfs/dbraw/zinc/93/35/88/397933588.db2.gz XRKSDVSCXUWWAN-UHFFFAOYSA-N 1 0 227.105 1.532 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](Nc2ncncc2Cl)C1 ZINC000382520003 397953669 /nfs/dbraw/zinc/95/36/69/397953669.db2.gz SWBLIFPYGUHSHS-JGVFFNPUSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@@]1(Cc2nccs2)CCCSC1 ZINC000575470492 397954739 /nfs/dbraw/zinc/95/47/39/397954739.db2.gz SGWDPQZTESVGFR-SECBINFHSA-N 1 0 214.359 1.910 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]CCN2CCOCC2)o1 ZINC000019954388 397962787 /nfs/dbraw/zinc/96/27/87/397962787.db2.gz OKBMQGSDWBWGMC-GFCCVEGCSA-N 1 0 238.331 1.571 10 0 BDAERO Fc1cccc(Br)c1OC1C[NH2+]C1 ZINC000575592452 397992007 /nfs/dbraw/zinc/99/20/07/397992007.db2.gz SQXZWQKCNSQGSY-UHFFFAOYSA-N 1 0 246.079 1.939 10 0 BDAERO CO[C@H](CN1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000383078562 397998663 /nfs/dbraw/zinc/99/86/63/397998663.db2.gz IBXRXFRIFQLFEB-UONOGXRCSA-N 1 0 234.343 1.797 10 0 BDAERO C[C@H](C[NH3+])CNC(=O)c1ccc(N(C)C)cc1 ZINC000054140138 398026452 /nfs/dbraw/zinc/02/64/52/398026452.db2.gz LNHWWUGPYYCTCS-SNVBAGLBSA-N 1 0 235.331 1.077 10 0 BDAERO Cc1nnsc1[C@H]1N[C@H](C)CS1 ZINC000307027868 397974425 /nfs/dbraw/zinc/97/44/25/397974425.db2.gz MGLSBQORROIABI-FBCQKBJTSA-N 1 0 201.320 1.570 10 0 BDAERO C[NH2+][C@@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000043390869 397977741 /nfs/dbraw/zinc/97/77/41/397977741.db2.gz SJOWVOZEBJUENM-MRVPVSSYSA-N 1 0 216.643 1.225 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCS[C@@H]1C ZINC000307134383 397986564 /nfs/dbraw/zinc/98/65/64/397986564.db2.gz ODHSRGKPDUIYRM-KYXWUPHJSA-N 1 0 201.335 1.647 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1[C@@H](O)COc1ccccc1 ZINC000584627466 398080321 /nfs/dbraw/zinc/08/03/21/398080321.db2.gz QQNBBEGWAYXFQS-KGLIPLIRSA-N 1 0 235.327 1.911 10 0 BDAERO [NH3+]Cc1cccc(-n2cc(Cl)cn2)n1 ZINC000051492435 398056250 /nfs/dbraw/zinc/05/62/50/398056250.db2.gz UYZNIYSMYYOHOC-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)O[C@@H]1C ZINC000384590090 398099113 /nfs/dbraw/zinc/09/91/13/398099113.db2.gz MHNAJBRBWVXBMA-ZNSHCXBVSA-N 1 0 228.336 1.042 10 0 BDAERO O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CCCOCC1 ZINC000061932905 398108965 /nfs/dbraw/zinc/10/89/65/398108965.db2.gz DGFJONJRAVFWSF-ZIAGYGMSSA-N 1 0 233.311 1.367 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1nc(C(C)C)ns1 ZINC000083672551 398102082 /nfs/dbraw/zinc/10/20/82/398102082.db2.gz FIFHJUMTPBOFBF-VIFPVBQESA-N 1 0 240.376 1.850 10 0 BDAERO Cc1noc(C)c1CN1C[C@H](F)C[C@H]1C[NH3+] ZINC000396429952 398110641 /nfs/dbraw/zinc/11/06/41/398110641.db2.gz RBLSMTXIXHUSJY-ZJUUUORDSA-N 1 0 227.283 1.163 10 0 BDAERO CC[C@H](C)CN(C)CC[NH2+]CCOC ZINC000050425110 171273230 /nfs/dbraw/zinc/27/32/30/171273230.db2.gz MNTLYLREELHTSH-NSHDSACASA-N 1 0 202.342 1.200 10 0 BDAERO CCc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)nc(C)n1 ZINC000389706696 398125260 /nfs/dbraw/zinc/12/52/60/398125260.db2.gz OKJCXHNHPXBVHF-CABZTGNLSA-N 1 0 234.347 1.757 10 0 BDAERO CC(C)NC(=O)Nc1ccccc1OCC[NH3+] ZINC000036683155 167079001 /nfs/dbraw/zinc/07/90/01/167079001.db2.gz XHFBWENFIMJKLA-UHFFFAOYSA-N 1 0 237.303 1.554 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)Cc1ccc(F)cc1F ZINC000071533949 167111489 /nfs/dbraw/zinc/11/14/89/167111489.db2.gz QHPQVSLYFSLBMY-NSHDSACASA-N 1 0 229.270 1.866 10 0 BDAERO CC(C)[NH2+]Cc1nccn1CC(=O)OC(C)C ZINC000051005506 167123898 /nfs/dbraw/zinc/12/38/98/167123898.db2.gz XXPLIGSWRJJCKD-UHFFFAOYSA-N 1 0 239.319 1.333 10 0 BDAERO CC(C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000020187742 167129624 /nfs/dbraw/zinc/12/96/24/167129624.db2.gz LCXPVIPYJDTTMQ-SECBINFHSA-N 1 0 242.344 1.393 10 0 BDAERO CSC[C@@H](C)[NH2+]Cc1ccnc(C)n1 ZINC000127378965 175512655 /nfs/dbraw/zinc/51/26/55/175512655.db2.gz YMEJLZWOEGTOTN-MRVPVSSYSA-N 1 0 211.334 1.626 10 0 BDAERO [NH3+]C[C@@H]1CCN(c2ncnc3c2CCCC3)C1 ZINC000094872452 487560847 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ZINC000077452058 166546193 /nfs/dbraw/zinc/54/61/93/166546193.db2.gz ASNLBQCBENOERA-NXEZZACHSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@H]1OCC[C@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000150328818 487618133 /nfs/dbraw/zinc/61/81/33/487618133.db2.gz KEMRUQKRBLANTF-BXKDBHETSA-N 1 0 249.314 1.444 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CCC1CC1 ZINC000308834739 410777006 /nfs/dbraw/zinc/77/70/06/410777006.db2.gz KSZIBFLWKPVLAX-NSHDSACASA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)CCOc1ccc(C(N)=[NH2+])cn1 ZINC000019469976 166882009 /nfs/dbraw/zinc/88/20/09/166882009.db2.gz CNPXTHLMOFSNHW-UHFFFAOYSA-N 1 0 207.277 1.791 10 0 BDAERO CC(C)CNC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339515766 166985804 /nfs/dbraw/zinc/98/58/04/166985804.db2.gz SRKSJDZJEVUQSO-UHFFFAOYSA-N 1 0 212.337 1.537 10 0 BDAERO CC(C)C[NH2+]C[C@H]1CC12CCS(=O)(=O)CC2 ZINC000054598228 167006254 /nfs/dbraw/zinc/00/62/54/167006254.db2.gz XRHCBRXMFYGWLT-LLVKDONJSA-N 1 0 245.388 1.447 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000054598227 167006680 /nfs/dbraw/zinc/00/66/80/167006680.db2.gz XRHCBRXMFYGWLT-NSHDSACASA-N 1 0 245.388 1.447 10 0 BDAERO CC(C)C[NH2+]Cc1nnnn1[C@@H]1CCC[C@H]1C ZINC000071209507 167010352 /nfs/dbraw/zinc/01/03/52/167010352.db2.gz RZHFFSONQBXFKG-GHMZBOCLSA-N 1 0 237.351 1.780 10 0 BDAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCCc2ccccc21 ZINC000037946283 167012891 /nfs/dbraw/zinc/01/28/91/167012891.db2.gz QGEFJWIOGSUOBG-HNNXBMFYSA-N 1 0 246.354 1.949 10 0 BDAERO CC(C)COCC(=O)Nc1cccc(C[NH3+])c1 ZINC000019385411 167022792 /nfs/dbraw/zinc/02/27/92/167022792.db2.gz AZXUYRWVXXLACR-UHFFFAOYSA-N 1 0 236.315 1.756 10 0 BDAERO CC(C)[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC000083205432 167026829 /nfs/dbraw/zinc/02/68/29/167026829.db2.gz FFPOOINPDNFNIN-UHFFFAOYSA-N 1 0 211.696 1.897 10 0 BDAERO CC(C)N1C[C@H]([NH2+]C[C@H]2C[C@H]2C)[C@@H](C)C1 ZINC000308931202 167033902 /nfs/dbraw/zinc/03/39/02/167033902.db2.gz FJRXQUXPICMBKK-XQHKEYJVSA-N 1 0 210.365 1.961 10 0 BDAERO CC(C)NC(=O)CN(C)[C@H](C[NH3+])c1ccccc1 ZINC000042899498 167048782 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/nfs/dbraw/zinc/24/85/09/167248509.db2.gz KWYSEBUATCRKBS-UHFFFAOYSA-N 1 0 240.278 1.914 10 0 BDAERO CC(C)Oc1cccc([C@@H](O)[C@@H](C)[NH3+])c1 ZINC000040641196 167309124 /nfs/dbraw/zinc/30/91/24/167309124.db2.gz OHKYGZFSPGKHSH-SKDRFNHKSA-N 1 0 209.289 1.854 10 0 BDAERO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCOC1 ZINC000049308168 167372229 /nfs/dbraw/zinc/37/22/29/167372229.db2.gz YXXTVPQCUIDJND-VXGBXAGGSA-N 1 0 242.363 1.163 10 0 BDAERO CC(C)[C@@H](CN(C)C)[NH2+]CCc1ccccn1 ZINC000049205047 167395788 /nfs/dbraw/zinc/39/57/88/167395788.db2.gz YURDCAGVZPMMFF-CQSZACIVSA-N 1 0 235.375 1.800 10 0 BDAERO C[C@@H](CCC1CC1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398106898 410943003 /nfs/dbraw/zinc/94/30/03/410943003.db2.gz AEKKOFZKZDURMT-GXFFZTMASA-N 1 0 224.348 1.823 10 0 BDAERO CC(C)[C@@H]([NH3+])[C@H](O)c1ccc2c(c1)OCO2 ZINC000071524868 167422008 /nfs/dbraw/zinc/42/20/08/167422008.db2.gz GBYVUMGRUZWNFF-VXGBXAGGSA-N 1 0 223.272 1.432 10 0 BDAERO C[C@H](NC[C@@H]1CCC[N@@H+]1C)c1csnn1 ZINC000398270467 410956034 /nfs/dbraw/zinc/95/60/34/410956034.db2.gz AVUZYEOEFNMFLG-IUCAKERBSA-N 1 0 226.349 1.283 10 0 BDAERO CC(C)[C@H](C(=O)NCC[C@@H]1CCCO1)[C@@H](C)[NH3+] ZINC000399489826 411045244 /nfs/dbraw/zinc/04/52/44/411045244.db2.gz GKJHXMBLHUNWQR-WOPDTQHZSA-N 1 0 242.363 1.291 10 0 BDAERO CN(CCC(C)(C)C)C(=O)C1([NH3+])CCOCC1 ZINC000399716913 411059872 /nfs/dbraw/zinc/05/98/72/411059872.db2.gz CQWNMPNWYADNPX-UHFFFAOYSA-N 1 0 242.363 1.389 10 0 BDAERO O[C@H](C[NH2+][C@H]1CCCC[C@H]1O)CC1CCCC1 ZINC000300029633 411076693 /nfs/dbraw/zinc/07/66/93/411076693.db2.gz LVEYJEOYAHKUID-MELADBBJSA-N 1 0 241.375 1.821 10 0 BDAERO CC(C)c1nsc(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000300046834 411078947 /nfs/dbraw/zinc/07/89/47/411078947.db2.gz AKPYPFXRQZOTCZ-JGVFFNPUSA-N 1 0 226.349 1.445 10 0 BDAERO COc1cccnc1NC[C@H]1CCC[NH2+]1 ZINC000107203728 411132830 /nfs/dbraw/zinc/13/28/30/411132830.db2.gz QQLJQJCPLMMDKV-SECBINFHSA-N 1 0 207.277 1.254 10 0 BDAERO Cc1nsc(NCCC2CC[NH2+]CC2)n1 ZINC000212657743 411148795 /nfs/dbraw/zinc/14/87/95/411148795.db2.gz ICPTUTIOBWFRMV-UHFFFAOYSA-N 1 0 226.349 1.648 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2cccnc2)no1 ZINC000109510577 411151035 /nfs/dbraw/zinc/15/10/35/411151035.db2.gz PZXJHGHFRGZPAB-NSHDSACASA-N 1 0 246.314 1.581 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1C(F)F ZINC000328579524 411115172 /nfs/dbraw/zinc/11/51/72/411115172.db2.gz NELXAXGZHDIZMC-NKWVEPMBSA-N 1 0 221.247 1.429 10 0 BDAERO Cc1cccc(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000061883830 411194276 /nfs/dbraw/zinc/19/42/76/411194276.db2.gz JNWMIXQDMXYGCP-KBPBESRZSA-N 1 0 246.354 1.781 10 0 BDAERO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC000061883447 411195006 /nfs/dbraw/zinc/19/50/06/411195006.db2.gz MEKDLMUMRKHYDC-ZYHUDNBSSA-N 1 0 248.326 1.558 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC(C1CC1)C1CC1 ZINC000128989269 411196010 /nfs/dbraw/zinc/19/60/10/411196010.db2.gz FKWNWCMBSBKXKK-LLVKDONJSA-N 1 0 224.348 1.665 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCCO1 ZINC000129012507 411198361 /nfs/dbraw/zinc/19/83/61/411198361.db2.gz JDGWLGNEKNXYFV-WDEREUQCSA-N 1 0 228.336 1.045 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000658036821 411212461 /nfs/dbraw/zinc/21/24/61/411212461.db2.gz RONVKNQJUJCUHP-RYUDHWBXSA-N 1 0 228.405 1.956 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC1(C)C ZINC000129053769 411216790 /nfs/dbraw/zinc/21/67/90/411216790.db2.gz NYSCCQJGZKTASE-SNVBAGLBSA-N 1 0 212.337 1.761 10 0 BDAERO CC(C)=CCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000660478100 411231967 /nfs/dbraw/zinc/23/19/67/411231967.db2.gz MKLRIJMUXDXCET-WDEREUQCSA-N 1 0 210.321 1.599 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC1CCCCC1 ZINC000128841877 411234526 /nfs/dbraw/zinc/23/45/26/411234526.db2.gz FNVSLWHOBKYIIA-LLVKDONJSA-N 1 0 212.337 1.809 10 0 BDAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)CC1(O)CCCC1 ZINC000310466564 411238254 /nfs/dbraw/zinc/23/82/54/411238254.db2.gz ZSOXOZIXPMBXRM-STQMWFEESA-N 1 0 241.375 1.774 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)CCO1 ZINC000310483578 411239829 /nfs/dbraw/zinc/23/98/29/411239829.db2.gz MFIHZHDFMNJGFG-IJLUTSLNSA-N 1 0 240.347 1.202 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616659149 411240318 /nfs/dbraw/zinc/24/03/18/411240318.db2.gz CLKRFDDFKJEVAT-VIFPVBQESA-N 1 0 238.335 1.206 10 0 BDAERO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000310533855 411241494 /nfs/dbraw/zinc/24/14/94/411241494.db2.gz QNFXCNIFGJAOMQ-MGPQQGTHSA-N 1 0 240.391 1.564 10 0 BDAERO CO[C@H]1C[NH2+][C@@](C)(CNCc2ccccc2)C1 ZINC000536958773 411265792 /nfs/dbraw/zinc/26/57/92/411265792.db2.gz IAGHOEJFPKEIBJ-ZIAGYGMSSA-N 1 0 234.343 1.543 10 0 BDAERO CON(C)C(=O)c1ccc([C@H]2C[NH2+][C@@H](C)C2)cc1 ZINC000536959104 411266157 /nfs/dbraw/zinc/26/61/57/411266157.db2.gz ORBNMCXVDABCEN-GXFFZTMASA-N 1 0 248.326 1.785 10 0 BDAERO C[C@@H]1SCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000309842256 411276617 /nfs/dbraw/zinc/27/66/17/411276617.db2.gz QGRYBTAYQGDIKW-PMUOWJKOSA-N 1 0 242.388 1.514 10 0 BDAERO C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000054338335 411295877 /nfs/dbraw/zinc/29/58/77/411295877.db2.gz OPKUKOHUGJNKAT-YUMQZZPRSA-N 1 0 242.269 1.737 10 0 BDAERO C[C@@H]([NH3+])[C@@](C)(F)c1cnc(Cl)n1C ZINC000575507295 411297338 /nfs/dbraw/zinc/29/73/38/411297338.db2.gz LTFMDRIJCMYHAX-SVGQVSJJSA-N 1 0 205.664 1.605 10 0 BDAERO CC[N@H+](C[C@H](O)C(C)(C)C)[C@@H]1CCCOC1 ZINC000402677036 411307573 /nfs/dbraw/zinc/30/75/73/411307573.db2.gz FTXQKIMEGWMMHT-NEPJUHHUSA-N 1 0 229.364 1.894 10 0 BDAERO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658239018 411308091 /nfs/dbraw/zinc/30/80/91/411308091.db2.gz LDWKARQWKXMBAB-CMPLNLGQSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658239019 411308222 /nfs/dbraw/zinc/30/82/22/411308222.db2.gz LDWKARQWKXMBAB-JQWIXIFHSA-N 1 0 224.348 1.633 10 0 BDAERO CCN(C(=O)C[C@@H]([NH3+])C(C)C)[C@@H]1CCCOC1 ZINC000402685854 411308391 /nfs/dbraw/zinc/30/83/91/411308391.db2.gz KAMVWJCQFMGYAC-VXGBXAGGSA-N 1 0 242.363 1.387 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@H]1C[C@@H]1C ZINC000658242778 411309060 /nfs/dbraw/zinc/30/90/60/411309060.db2.gz VPOQLJJJCIDRJA-BJDJZHNGSA-N 1 0 224.348 1.489 10 0 BDAERO Cc1cccc(N2CC3CC2(C[NH3+])C3)n1 ZINC000656611782 411309326 /nfs/dbraw/zinc/30/93/26/411309326.db2.gz JLFKERWSFWRMED-UHFFFAOYSA-N 1 0 203.289 1.318 10 0 BDAERO CCOc1cc(NCC2([NH3+])CCCC2)ncn1 ZINC000656611041 411310729 /nfs/dbraw/zinc/31/07/29/411310729.db2.gz ZCSVAWFTKMGSEL-UHFFFAOYSA-N 1 0 236.319 1.559 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C(C)C ZINC000658246439 411311387 /nfs/dbraw/zinc/31/13/87/411311387.db2.gz ZHSATMSMSLIAJY-WDEREUQCSA-N 1 0 212.337 1.489 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658246068 411311517 /nfs/dbraw/zinc/31/15/17/411311517.db2.gz WYPGNODKECOQBM-NXEZZACHSA-N 1 0 210.321 1.243 10 0 BDAERO CC(C)CC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000336699731 411319455 /nfs/dbraw/zinc/31/94/55/411319455.db2.gz ZYULXISULWLZDY-AGIUHOORSA-N 1 0 229.364 1.941 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402963973 411323528 /nfs/dbraw/zinc/32/35/28/411323528.db2.gz VOKUZRMRQOVWNK-MROQNXINSA-N 1 0 234.343 1.538 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc2cc[nH]c21 ZINC000310696653 411252426 /nfs/dbraw/zinc/25/24/26/411252426.db2.gz PQFAWEMZUXZERK-BXKDBHETSA-N 1 0 243.310 1.730 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1 ZINC000128858883 411254547 /nfs/dbraw/zinc/25/45/47/411254547.db2.gz UBYYPSFABXFNNA-LBPRGKRZSA-N 1 0 220.316 1.676 10 0 BDAERO COC(C)(C)[C@H](C)[NH2+]C1CC(CO)C1 ZINC000658352088 411354734 /nfs/dbraw/zinc/35/47/34/411354734.db2.gz CTFVBUYZVZAZCS-IDKOKCKLSA-N 1 0 201.310 1.160 10 0 BDAERO COC(C)(C)[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658352090 411355324 /nfs/dbraw/zinc/35/53/24/411355324.db2.gz CTFVBUYZVZAZCS-XNWIYYODSA-N 1 0 201.310 1.160 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403854139 411362982 /nfs/dbraw/zinc/36/29/82/411362982.db2.gz UHFOJTDUKIYQKJ-GRYCIOLGSA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000656702938 411339456 /nfs/dbraw/zinc/33/94/56/411339456.db2.gz UPAQSHOSMHECAC-YNEHKIRRSA-N 1 0 240.391 1.752 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2(CO)CCC2)[C@H]2CCO[C@H]21 ZINC000371783488 168004703 /nfs/dbraw/zinc/00/47/03/168004703.db2.gz JLZNCZZPNYTNRV-IJLUTSLNSA-N 1 0 239.359 1.552 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@@H]2CCO[C@H]21 ZINC000300422455 168006225 /nfs/dbraw/zinc/00/62/25/168006225.db2.gz OCUIZYUNRLBCOR-KSSYENDESA-N 1 0 239.359 1.551 10 0 BDAERO CC1(C)[C@H]([NH2+]CCc2cn[nH]c2)[C@@H]2CCO[C@@H]21 ZINC000353614526 168014330 /nfs/dbraw/zinc/01/43/30/168014330.db2.gz XWTRBBAJMYNFIA-TUAOUCFPSA-N 1 0 235.331 1.355 10 0 BDAERO CC1(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)CCC1 ZINC000302399303 168045517 /nfs/dbraw/zinc/04/55/17/168045517.db2.gz JUVRJKKRHMUXFP-VXGBXAGGSA-N 1 0 236.359 1.920 10 0 BDAERO CC1(C[C@@H]([NH3+])c2cccnc2)OCCO1 ZINC000041217375 168051177 /nfs/dbraw/zinc/05/11/77/168051177.db2.gz 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KNHLLSGHKDILOP-OTTFEQOBSA-N 1 0 227.348 1.554 10 0 BDAERO CC1CCC(CO)(Nc2[nH+]ccn2C)CC1 ZINC000053109788 168157183 /nfs/dbraw/zinc/15/71/83/168157183.db2.gz JPPTZVHNRGYOTC-UHFFFAOYSA-N 1 0 223.320 1.773 10 0 BDAERO CC1CCN(C(=O)C2(C[NH3+])CCC2)CC1 ZINC000082641464 168170743 /nfs/dbraw/zinc/17/07/43/168170743.db2.gz LJWHEEAYWHSEEQ-UHFFFAOYSA-N 1 0 210.321 1.374 10 0 BDAERO CC1CCN(C(=O)[C@@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000019518899 168174807 /nfs/dbraw/zinc/17/48/07/168174807.db2.gz OPBXMFGXSYMUHA-RYUDHWBXSA-N 1 0 224.348 1.776 10 0 BDAERO CC1CCN([C@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000020075233 168187808 /nfs/dbraw/zinc/18/78/08/168187808.db2.gz QYDNIGDKLVLVLS-GFCCVEGCSA-N 1 0 222.336 1.152 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000659293357 411389358 /nfs/dbraw/zinc/38/93/58/411389358.db2.gz WVAOCCCTFYGOIY-PREPNJAASA-N 1 0 222.332 1.276 10 0 BDAERO CCC(=O)CC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000190237307 168201769 /nfs/dbraw/zinc/20/17/69/168201769.db2.gz VGVCVRFDJFHIFM-LLVKDONJSA-N 1 0 235.331 1.579 10 0 BDAERO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000038000148 168218000 /nfs/dbraw/zinc/21/80/00/168218000.db2.gz YTFCHLFUDSYVDY-WDEREUQCSA-N 1 0 210.321 1.387 10 0 BDAERO CCC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037915881 168218880 /nfs/dbraw/zinc/21/88/80/168218880.db2.gz QWQPBUKSLPJGTN-NSHDSACASA-N 1 0 210.321 1.387 10 0 BDAERO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404214995 411384383 /nfs/dbraw/zinc/38/43/83/411384383.db2.gz XXVATLYSKBFTOR-MJBXVCDLSA-N 1 0 240.391 1.731 10 0 BDAERO CCC(=O)c1ccsc1NC(=O)C[NH3+] ZINC000075621786 168259005 /nfs/dbraw/zinc/25/90/05/168259005.db2.gz LTDLNOPQFGMGOC-UHFFFAOYSA-N 1 0 212.274 1.238 10 0 BDAERO CCC(C)(C)C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000054402043 168262368 /nfs/dbraw/zinc/26/23/68/168262368.db2.gz MXZAZHDJZGQOOM-SNVBAGLBSA-N 1 0 212.337 1.633 10 0 BDAERO CCC(C)(C)NC(=O)CO[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000050211851 168289180 /nfs/dbraw/zinc/28/91/80/168289180.db2.gz LSTATQGJMXEHNH-MNOVXSKESA-N 1 0 242.363 1.448 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+][C@H](CO)CC(C)C ZINC000049281846 168290421 /nfs/dbraw/zinc/29/04/21/168290421.db2.gz ZSXJDJRLANWURO-NSHDSACASA-N 1 0 244.379 1.288 10 0 BDAERO CCC(C)(C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290417 168291552 /nfs/dbraw/zinc/29/15/52/168291552.db2.gz ZORLFNYLSFEERL-SNVBAGLBSA-N 1 0 212.337 1.681 10 0 BDAERO CCC(C)(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336237597 168291556 /nfs/dbraw/zinc/29/15/56/168291556.db2.gz RJVIAPXQZOYTBY-ZACCUICWSA-N 1 0 239.363 1.757 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000051791938 168295120 /nfs/dbraw/zinc/29/51/20/168295120.db2.gz AOJQFOMXNYJNJS-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[C@H]1C ZINC000336760674 168303477 /nfs/dbraw/zinc/30/34/77/168303477.db2.gz MKFZZFFEFSMYRP-BBBLOLIVSA-N 1 0 212.337 1.678 10 0 BDAERO CCC(C)(C)Oc1ccnc(C(N)=[NH2+])c1 ZINC000061814583 168304539 /nfs/dbraw/zinc/30/45/39/168304539.db2.gz PDLNAFBOOFBYTH-UHFFFAOYSA-N 1 0 207.277 1.933 10 0 BDAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1CCCO1 ZINC000069633610 411457868 /nfs/dbraw/zinc/45/78/68/411457868.db2.gz OPNFUEARPMMUHT-ZJUUUORDSA-N 1 0 228.336 1.188 10 0 BDAERO C[C@@H](COCc1ccccc1)[NH2+]CC(C)(C)O ZINC000306775530 411459476 /nfs/dbraw/zinc/45/94/76/411459476.db2.gz WZLLSVKXSZMYHL-LBPRGKRZSA-N 1 0 237.343 1.952 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616620811 411398556 /nfs/dbraw/zinc/39/85/56/411398556.db2.gz NTQHUVWZHGIUHJ-SECBINFHSA-N 1 0 222.336 1.970 10 0 BDAERO CC[C@@H](C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000659339988 411398855 /nfs/dbraw/zinc/39/88/55/411398855.db2.gz FNOTZOIFOVAOPC-VXGBXAGGSA-N 1 0 226.364 1.929 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccoc1 ZINC000659360123 411402890 /nfs/dbraw/zinc/40/28/90/411402890.db2.gz FGBGWXCFDRURJE-CMPLNLGQSA-N 1 0 236.315 1.326 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCc1ccoc1 ZINC000659361558 411403154 /nfs/dbraw/zinc/40/31/54/411403154.db2.gz QLPXOAADHHHQJS-NWDGAFQWSA-N 1 0 236.315 1.313 10 0 BDAERO COC(=O)c1c(Br)cccc1C[NH3+] ZINC000260383209 411404989 /nfs/dbraw/zinc/40/49/89/411404989.db2.gz JRWGSCBNXBLEJG-UHFFFAOYSA-N 1 0 244.088 1.694 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000659374023 411405712 /nfs/dbraw/zinc/40/57/12/411405712.db2.gz FIIFPHWNHCEPSY-WOPDTQHZSA-N 1 0 240.347 1.012 10 0 BDAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH2+]C1 ZINC000659385384 411409112 /nfs/dbraw/zinc/40/91/12/411409112.db2.gz XTKWVMNZWDPTPF-FOIKRFTLSA-N 1 0 236.359 1.776 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2ccno2)C1 ZINC000616648854 411410692 /nfs/dbraw/zinc/41/06/92/411410692.db2.gz FZBMDODJFIIQHK-NSHDSACASA-N 1 0 210.277 1.846 10 0 BDAERO CCCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653065920 411411194 /nfs/dbraw/zinc/41/11/94/411411194.db2.gz ZHNCYYZBSCTAKT-HTQZYQBOSA-N 1 0 238.253 1.253 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)CC[NH2+]C(C)C ZINC000121648886 411414883 /nfs/dbraw/zinc/41/48/83/411414883.db2.gz RKKJRGYCHXPSRM-QWRGUYRKSA-N 1 0 212.337 1.679 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCC(F)(F)C1 ZINC000405141306 411418622 /nfs/dbraw/zinc/41/86/22/411418622.db2.gz XXJSOKUYYVZQIT-QMMMGPOBSA-N 1 0 220.263 1.372 10 0 BDAERO CC1CC(C(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000393780551 411419176 /nfs/dbraw/zinc/41/91/76/411419176.db2.gz QZMZQCHCLZNEOB-UHFFFAOYSA-N 1 0 210.321 1.243 10 0 BDAERO Cc1cc(C(C)C)nc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000122564335 411433062 /nfs/dbraw/zinc/43/30/62/411433062.db2.gz LFEHOZGIMGOHCO-LLVKDONJSA-N 1 0 234.347 1.707 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CCSC1 ZINC000128902681 411441922 /nfs/dbraw/zinc/44/19/22/411441922.db2.gz GLAWVLWUEJWFGS-VHSXEESVSA-N 1 0 230.377 1.324 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)C1CCCC1 ZINC000128896231 411442031 /nfs/dbraw/zinc/44/20/31/411442031.db2.gz ZDQREYRHTBBVIQ-NSHDSACASA-N 1 0 212.337 1.761 10 0 BDAERO CC[C@H]1C[C@@H]([NH2+]CCn2cc(C)cn2)CO1 ZINC000657354094 411474229 /nfs/dbraw/zinc/47/42/29/411474229.db2.gz ZBVAGLXHABUXLP-NEPJUHHUSA-N 1 0 223.320 1.349 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1O ZINC000300297995 411489476 /nfs/dbraw/zinc/48/94/76/411489476.db2.gz KVCUZBZMPCGNRI-FRRDWIJNSA-N 1 0 245.363 1.057 10 0 BDAERO Cc1cnn(CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000659897262 411490582 /nfs/dbraw/zinc/49/05/82/411490582.db2.gz YAIPOFLYMUINSF-CLLJXQQHSA-N 1 0 219.332 1.827 10 0 BDAERO C[C@@H](C1CC1)N(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000127480645 411491045 /nfs/dbraw/zinc/49/10/45/411491045.db2.gz MUUDWIJFUXZKNS-GWCFXTLKSA-N 1 0 224.348 1.776 10 0 BDAERO Cc1nc(C[NH2+][C@H]2CCO[C@@H]2C)[nH]c1C ZINC000657420309 411501888 /nfs/dbraw/zinc/50/18/88/411501888.db2.gz CWTFHAZYLWXJRT-ZJUUUORDSA-N 1 0 209.293 1.294 10 0 BDAERO OCC[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000659953633 411509779 /nfs/dbraw/zinc/50/97/79/411509779.db2.gz RBIFMYQKWCODLR-ZJUUUORDSA-N 1 0 235.274 1.115 10 0 BDAERO C[C@H]1CN(C(=O)c2ccccc2O)C[C@H]1C[NH3+] ZINC000638892480 411513075 /nfs/dbraw/zinc/51/30/75/411513075.db2.gz JMTHNPPFVHFETP-VHSXEESVSA-N 1 0 234.299 1.059 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@H]2CCC[C@H](O)C2)n1 ZINC000657324662 411464895 /nfs/dbraw/zinc/46/48/95/411464895.db2.gz ARCFFZPRGXLMJY-UWVGGRQHSA-N 1 0 209.293 1.111 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1ccccc1F ZINC000071511130 170000220 /nfs/dbraw/zinc/00/02/20/170000220.db2.gz UZQDFTGDONAAIC-GFCCVEGCSA-N 1 0 208.280 1.792 10 0 BDAERO CCN1CC[NH2+][C@@H](c2cccc(C)c2)C1 ZINC000056894846 170000622 /nfs/dbraw/zinc/00/06/22/170000622.db2.gz XTVAJXVOESNBJU-CYBMUJFWSA-N 1 0 204.317 1.961 10 0 BDAERO Cc1nc(C[NH2+][C@H]2CCC[C@@H](O)C2)[nH]c1C ZINC000657327617 411466257 /nfs/dbraw/zinc/46/62/57/411466257.db2.gz WXVAGNKJYLTQEW-WDEREUQCSA-N 1 0 223.320 1.420 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(O)c(C)c2)C1 ZINC000334576648 170012223 /nfs/dbraw/zinc/01/22/23/170012223.db2.gz APDRJLOBNKABCJ-GFCCVEGCSA-N 1 0 248.326 1.525 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000336906245 170012579 /nfs/dbraw/zinc/01/25/79/170012579.db2.gz XTFQFDXCUMKFGA-SNVBAGLBSA-N 1 0 225.361 1.635 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(O)c2)C1 ZINC000334579902 170021650 /nfs/dbraw/zinc/02/16/50/170021650.db2.gz QDMLKVXFZKCTRG-LBPRGKRZSA-N 1 0 248.326 1.525 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000328352586 170022171 /nfs/dbraw/zinc/02/21/71/170022171.db2.gz NVUWBKPBBKDLBR-AAEUAGOBSA-N 1 0 226.364 1.485 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000328530506 170022452 /nfs/dbraw/zinc/02/24/52/170022452.db2.gz XEQBOOSXCLDOMK-WOPDTQHZSA-N 1 0 212.337 1.095 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CCOC2(C)C)C1 ZINC000336327052 170023100 /nfs/dbraw/zinc/02/31/00/170023100.db2.gz CGMNOPFIWMHSLZ-WDEREUQCSA-N 1 0 212.337 1.238 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2)C1 ZINC000309439508 170031711 /nfs/dbraw/zinc/03/17/11/170031711.db2.gz ICEZXFWBYNYGEJ-DGCLKSJQSA-N 1 0 219.332 1.511 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]C2CCOCC2)C1 ZINC000309031345 170037179 /nfs/dbraw/zinc/03/71/79/170037179.db2.gz DYPXRPRAHOHIJZ-CMPLNLGQSA-N 1 0 212.337 1.095 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2cccnc2)C1 ZINC000309439509 170038249 /nfs/dbraw/zinc/03/82/49/170038249.db2.gz ICEZXFWBYNYGEJ-WCQYABFASA-N 1 0 219.332 1.511 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000336778757 170039309 /nfs/dbraw/zinc/03/93/09/170039309.db2.gz MFSSFAHPOFQMHH-QNWHQSFQSA-N 1 0 226.364 1.341 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000336778923 170040123 /nfs/dbraw/zinc/04/01/23/170040123.db2.gz MRYFIHMWVZEGGX-ZDEQEGDKSA-N 1 0 226.364 1.484 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000076620542 170052838 /nfs/dbraw/zinc/05/28/38/170052838.db2.gz YYLVZBJLIGHNJV-NSHDSACASA-N 1 0 238.306 1.784 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccccc1C ZINC000076616976 170052883 /nfs/dbraw/zinc/05/28/83/170052883.db2.gz GKFWJMBYTIDSLE-LBPRGKRZSA-N 1 0 234.343 1.954 10 0 BDAERO CCNC(=O)C[N@H+](C)[C@H](C)c1cccc(N)c1 ZINC000049725800 170054795 /nfs/dbraw/zinc/05/47/95/170054795.db2.gz LAVQVFTWBLCTMQ-SNVBAGLBSA-N 1 0 235.331 1.398 10 0 BDAERO CCNC(=O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061325814 170065265 /nfs/dbraw/zinc/06/52/65/170065265.db2.gz IXTPWPGDZOQWJQ-SNVBAGLBSA-N 1 0 238.356 1.851 10 0 BDAERO CCNC(=O)C[C@@H](C[NH3+])c1ccccc1OC ZINC000057527673 170069004 /nfs/dbraw/zinc/06/90/04/170069004.db2.gz GVTDNFVPQZYZGQ-JTQLQIEISA-N 1 0 236.315 1.264 10 0 BDAERO CCNC(=O)C[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000057537951 170069289 /nfs/dbraw/zinc/06/92/89/170069289.db2.gz WCRBHSCTZIYJIN-LBPRGKRZSA-N 1 0 249.358 1.321 10 0 BDAERO CCNC(=O)C[C@H](C[NH3+])c1ccc(CC)cc1 ZINC000057524403 170070034 /nfs/dbraw/zinc/07/00/34/170070034.db2.gz OTELEEMIKIGXIS-CYBMUJFWSA-N 1 0 234.343 1.818 10 0 BDAERO CCNC(=O)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000057527699 170070168 /nfs/dbraw/zinc/07/01/68/170070168.db2.gz PDTCRWSKRXVEMQ-LLVKDONJSA-N 1 0 236.315 1.264 10 0 BDAERO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCC(C)C ZINC000037984490 170078169 /nfs/dbraw/zinc/07/81/69/170078169.db2.gz HQMACKGKLZUPEX-JTQLQIEISA-N 1 0 243.351 1.246 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000036794991 170088542 /nfs/dbraw/zinc/08/85/42/170088542.db2.gz JOJVMLZGHZWCAT-VHSXEESVSA-N 1 0 236.315 1.567 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177260 170088874 /nfs/dbraw/zinc/08/88/74/170088874.db2.gz UURFXYSZQNJMGP-KVSVUVNWSA-N 1 0 238.375 1.925 10 0 BDAERO CCNC(=O)[C@@H]([NH3+])CCc1ccccc1 ZINC000083344710 170089832 /nfs/dbraw/zinc/08/98/32/170089832.db2.gz SMWYZCOWORQSLW-NSHDSACASA-N 1 0 206.289 1.083 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccccc1C ZINC000076616796 170089890 /nfs/dbraw/zinc/08/98/90/170089890.db2.gz GSUXHOUQXZSKCE-ZDUSSCGKSA-N 1 0 234.343 1.954 10 0 BDAERO CCNC(=O)[C@H](C)[N@H+](C)Cc1cccc(N)c1 ZINC000035360017 170092827 /nfs/dbraw/zinc/09/28/27/170092827.db2.gz AVUCJBGWNWEJBR-JTQLQIEISA-N 1 0 235.331 1.225 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1ccco1 ZINC000076584963 170097176 /nfs/dbraw/zinc/09/71/76/170097176.db2.gz YAMZRGLYLYIPIT-SECBINFHSA-N 1 0 210.277 1.238 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1cccs1 ZINC000076612209 170097384 /nfs/dbraw/zinc/09/73/84/170097384.db2.gz PFXBPHVYHKXKQX-SECBINFHSA-N 1 0 226.345 1.707 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1cccnc1 ZINC000076610719 170097771 /nfs/dbraw/zinc/09/77/71/170097771.db2.gz OYLMNKQEPCCIBZ-LLVKDONJSA-N 1 0 221.304 1.040 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1cccc(C)c1 ZINC000076616805 170097962 /nfs/dbraw/zinc/09/79/62/170097962.db2.gz WKJZWUJXEARJBL-CYBMUJFWSA-N 1 0 234.343 1.954 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(C)[C@H]1CCSC1 ZINC000061288848 170106802 /nfs/dbraw/zinc/10/68/02/170106802.db2.gz PWYPHFZRSVHIKS-VIFPVBQESA-N 1 0 230.377 1.338 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000061287702 170107230 /nfs/dbraw/zinc/10/72/30/170107230.db2.gz KKCGBTLWDAJWOL-QWRGUYRKSA-N 1 0 226.364 1.879 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000061278538 170107617 /nfs/dbraw/zinc/10/76/17/170107617.db2.gz NNRISWBZPKYZRM-UWVGGRQHSA-N 1 0 228.336 1.010 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCc2ccccc2C1 ZINC000061287410 170107861 /nfs/dbraw/zinc/10/78/61/170107861.db2.gz AYOIKOBLGZJAEO-UHFFFAOYSA-N 1 0 246.354 1.959 10 0 BDAERO CC[NH2+]C1CCN(Cc2ccc(OC)nc2)CC1 ZINC000062073717 170108170 /nfs/dbraw/zinc/10/81/70/170108170.db2.gz LCRKSORFBALUMN-UHFFFAOYSA-N 1 0 249.358 1.664 10 0 BDAERO CC[NH2+]C1CCN(Cc2ccnc(OC)c2)CC1 ZINC000062073637 170108924 /nfs/dbraw/zinc/10/89/24/170108924.db2.gz XZYCHIWVEQKPNP-UHFFFAOYSA-N 1 0 249.358 1.664 10 0 BDAERO CC[NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000044294291 170109304 /nfs/dbraw/zinc/10/93/04/170109304.db2.gz GPNPLLYBJRZBJG-VXGBXAGGSA-N 1 0 224.348 1.777 10 0 BDAERO CC[NH2+]CCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000061287917 170111970 /nfs/dbraw/zinc/11/19/70/170111970.db2.gz IDJWCDGMWSSYEL-QWRGUYRKSA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+]CCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000061292240 170112017 /nfs/dbraw/zinc/11/20/17/170112017.db2.gz RZZNHIIZSYYPKJ-GFCCVEGCSA-N 1 0 248.326 1.626 10 0 BDAERO CC[NH2+]CCCNc1nnnn1-c1ccccc1 ZINC000038043493 170113080 /nfs/dbraw/zinc/11/30/80/170113080.db2.gz QNPVVHFAAQGNOI-UHFFFAOYSA-N 1 0 246.318 1.074 10 0 BDAERO CC[NH2+]CCOc1cc(OC)cc(OC)c1 ZINC000032014996 170116642 /nfs/dbraw/zinc/11/66/42/170116642.db2.gz UWQRKTGXPVMFCV-UHFFFAOYSA-N 1 0 225.288 1.692 10 0 BDAERO CC[NH2+]CCc1cc(OC)c(OC)cc1OC ZINC000085696720 170117005 /nfs/dbraw/zinc/11/70/05/170117005.db2.gz BHGUZQYECUHWOT-UHFFFAOYSA-N 1 0 239.315 1.864 10 0 BDAERO CC[NH2+]CC[C@@H](O)c1cccc(OC)c1 ZINC000049814566 170117187 /nfs/dbraw/zinc/11/71/87/170117187.db2.gz RBJQARGADOZKEW-GFCCVEGCSA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1ccc(Cl)cc1 ZINC000071518929 170118747 /nfs/dbraw/zinc/11/87/47/170118747.db2.gz NOKJELSNUPSKSN-NSHDSACASA-N 1 0 213.708 1.853 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2nccs2)C1 ZINC000053695957 170119914 /nfs/dbraw/zinc/11/99/14/170119914.db2.gz VMHXBXJJBKMVHN-JTQLQIEISA-N 1 0 225.361 1.969 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc(OC)c(CC)c1 ZINC000071531110 170120029 /nfs/dbraw/zinc/12/00/29/170120029.db2.gz NFJTYCAKQHSAAD-GFCCVEGCSA-N 1 0 223.316 1.901 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2ccccn2)C1 ZINC000053695935 170120402 /nfs/dbraw/zinc/12/04/02/170120402.db2.gz MDBYRUWQVITZSK-LBPRGKRZSA-N 1 0 219.332 1.908 10 0 BDAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000047943488 170120408 /nfs/dbraw/zinc/12/04/08/170120408.db2.gz YRCIHTXGBIQXKH-AWEZNQCLSA-N 1 0 234.343 1.669 10 0 BDAERO CC[NH2+]C[C@@H](O)c1cc(OC)ccc1OC ZINC000032014967 170120475 /nfs/dbraw/zinc/12/04/75/170120475.db2.gz AODCZNLLLYOTBZ-LLVKDONJSA-N 1 0 225.288 1.347 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)Nc1cccnc1OC ZINC000061232782 170121894 /nfs/dbraw/zinc/12/18/94/170121894.db2.gz KUBYHHFEVIJYPV-VIFPVBQESA-N 1 0 237.303 1.274 10 0 BDAERO CC[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000032014968 170122601 /nfs/dbraw/zinc/12/26/01/170122601.db2.gz AODCZNLLLYOTBZ-NSHDSACASA-N 1 0 225.288 1.347 10 0 BDAERO CC[NH2+]C[C@H]1CCN(c2cccnc2)C1 ZINC000053010325 170123789 /nfs/dbraw/zinc/12/37/89/170123789.db2.gz NZHJCEMAUGIYSS-LLVKDONJSA-N 1 0 205.305 1.517 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1cc(OC)ccc1OC ZINC000033468699 170123807 /nfs/dbraw/zinc/12/38/07/170123807.db2.gz WNXOZTCPOJYOFT-ZDUSSCGKSA-N 1 0 239.315 1.521 10 0 BDAERO CC[NH2+]Cc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000032235114 170124346 /nfs/dbraw/zinc/12/43/46/170124346.db2.gz XNHOSIBAPQOBIL-UHFFFAOYSA-N 1 0 246.310 1.955 10 0 BDAERO CC[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000045205625 170128466 /nfs/dbraw/zinc/12/84/66/170128466.db2.gz CPSJTYAPGSDFIV-UHFFFAOYSA-N 1 0 234.343 1.628 10 0 BDAERO CC[NH2+]Cc1ccnc(N2CCCOCC2)c1 ZINC000061935345 170129383 /nfs/dbraw/zinc/12/93/83/170129383.db2.gz WWJRXZJFLIWQIX-UHFFFAOYSA-N 1 0 235.331 1.418 10 0 BDAERO CC[NH2+]Cc1cnn([C@@H]2CCCC[C@@H]2O)c1 ZINC000054600001 170130233 /nfs/dbraw/zinc/13/02/33/170130233.db2.gz JARFRMXUMZGKKT-NEPJUHHUSA-N 1 0 223.320 1.469 10 0 BDAERO CC[NH2+]Cc1cnn([C@@H]2CCCC[C@H]2O)c1C ZINC000054600035 170130246 /nfs/dbraw/zinc/13/02/46/170130246.db2.gz YPRYOIUXQQCXIQ-CHWSQXEVSA-N 1 0 237.347 1.777 10 0 BDAERO CC[NH2+]Cc1cnc(N2CCCC2)s1 ZINC000054899960 170131058 /nfs/dbraw/zinc/13/10/58/170131058.db2.gz VOEONPOIJCSRJV-UHFFFAOYSA-N 1 0 211.334 1.853 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H]1C[C@@H]1c1ccccc1 ZINC000054747501 170131340 /nfs/dbraw/zinc/13/13/40/170131340.db2.gz GYDMAKBIFKPEQA-VXGBXAGGSA-N 1 0 243.314 1.511 10 0 BDAERO CC[NH2+]Cc1nnc(-c2ncccc2C)o1 ZINC000051813797 170131480 /nfs/dbraw/zinc/13/14/80/170131480.db2.gz OCZQUTYHKYGXLO-UHFFFAOYSA-N 1 0 218.260 1.550 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1ccccc1Cl ZINC000054744445 170132006 /nfs/dbraw/zinc/13/20/06/170132006.db2.gz AGWBLLJOTVHEEW-UHFFFAOYSA-N 1 0 237.694 1.425 10 0 BDAERO CC[NH2+][C@@H](C)CCc1nc(-c2cnccn2)no1 ZINC000104072806 170138706 /nfs/dbraw/zinc/13/87/06/170138706.db2.gz ZACUMKAXHNMVLY-VIFPVBQESA-N 1 0 247.302 1.457 10 0 BDAERO CC[NH2+][C@@H](C)Cc1nc(CSC)no1 ZINC000061213144 170140398 /nfs/dbraw/zinc/14/03/98/170140398.db2.gz XKGWQBUWRQJXRZ-ZETCQYMHSA-N 1 0 215.322 1.473 10 0 BDAERO CC[NH2+][C@@H](CC(=O)OC)Cc1ccccc1 ZINC000074478743 170142577 /nfs/dbraw/zinc/14/25/77/170142577.db2.gz AMZGRXOVQGHDKD-GFCCVEGCSA-N 1 0 221.300 1.770 10 0 BDAERO CC[NH2+][C@@H](C)c1csc(CN(C)C)n1 ZINC000070841490 170142973 /nfs/dbraw/zinc/14/29/73/170142973.db2.gz MOANXKDIKHWJIO-QMMMGPOBSA-N 1 0 213.350 1.875 10 0 BDAERO CC[NH2+][C@@H](C)c1nnc(-c2cnoc2C)o1 ZINC000050618701 170143190 /nfs/dbraw/zinc/14/31/90/170143190.db2.gz INEBRVCPZTYSKS-LURJTMIESA-N 1 0 222.248 1.704 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@H]1N1CCOCC1(C)C ZINC000043916974 170151660 /nfs/dbraw/zinc/15/16/60/170151660.db2.gz JPTFANCYELUTEB-VXGBXAGGSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cccs2)C1 ZINC000037483614 170152074 /nfs/dbraw/zinc/15/20/74/170152074.db2.gz WGIILLCCMISZAP-SNVBAGLBSA-N 1 0 210.346 1.932 10 0 BDAERO CC[NH2+][C@@H]1CCN(CC2CCCCC2)C1=O ZINC000049648089 170152092 /nfs/dbraw/zinc/15/20/92/170152092.db2.gz DHQWPOCIGZLVKN-GFCCVEGCSA-N 1 0 224.348 1.777 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@H]1N1CCC(C)CC1 ZINC000043806793 170153033 /nfs/dbraw/zinc/15/30/33/170153033.db2.gz KHGDMJWQGMWVNC-CHWSQXEVSA-N 1 0 226.364 1.485 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cnn(C(C)C)c2)C1=O ZINC000061683377 170153140 /nfs/dbraw/zinc/15/31/40/170153140.db2.gz SKZAESUQFWYGDM-LLVKDONJSA-N 1 0 236.319 1.179 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc3c(c2)CCC3)C1=O ZINC000049647385 170153207 /nfs/dbraw/zinc/15/32/07/170153207.db2.gz VHNZSEAKJYZWRS-CQSZACIVSA-N 1 0 244.338 1.890 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@H](C)Cc2ccco2)C1=O ZINC000049649085 170153265 /nfs/dbraw/zinc/15/32/65/170153265.db2.gz FOHFUHHIAYUIHQ-ZYHUDNBSSA-N 1 0 236.315 1.421 10 0 BDAERO CC[NH2+][C@H](C)Cc1nc2cccnc2[nH]1 ZINC000061181996 170158492 /nfs/dbraw/zinc/15/84/92/170158492.db2.gz IHBMPUFUKUFHPH-MRVPVSSYSA-N 1 0 204.277 1.498 10 0 BDAERO CC[NH2+][C@H](C)[C@H](C)N1CCCOCC1 ZINC000061917905 170158699 /nfs/dbraw/zinc/15/86/99/170158699.db2.gz PXUDGYZWDVEPJE-MNOVXSKESA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+][C@H](C1=CCCC1)[C@H]1COCCO1 ZINC000055301307 170160852 /nfs/dbraw/zinc/16/08/52/170160852.db2.gz XMXRHFOZXAYATC-VXGBXAGGSA-N 1 0 211.305 1.490 10 0 BDAERO CC[NH2+][C@H](CC[NH+]1C[C@@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000062439436 170161619 /nfs/dbraw/zinc/16/16/19/170161619.db2.gz XPOOXIOKWQQGJP-SDDRHHMPSA-N 1 0 242.363 1.417 10 0 BDAERO CC[NH2+][C@H](CC)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392596 170161922 /nfs/dbraw/zinc/16/19/22/170161922.db2.gz JUEPEINRRVUWQA-LLVKDONJSA-N 1 0 247.342 1.938 10 0 BDAERO CC[NH2+][C@H](CO)c1ccc(F)c(F)c1 ZINC000038120303 170162347 /nfs/dbraw/zinc/16/23/47/170162347.db2.gz BUEMLTNOZMTIMH-SNVBAGLBSA-N 1 0 201.216 1.608 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1N(C)Cc1nccn1C ZINC000062251434 170166453 /nfs/dbraw/zinc/16/64/53/170166453.db2.gz CLIRIJAGJNZMTJ-NWDGAFQWSA-N 1 0 236.363 1.383 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2nc(C)cs2)C1=O ZINC000049660171 170167910 /nfs/dbraw/zinc/16/79/10/170167910.db2.gz PMTDMFOYRLNQLG-VIFPVBQESA-N 1 0 239.344 1.162 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccc(C)o2)C1=O ZINC000053038446 170168043 /nfs/dbraw/zinc/16/80/43/170168043.db2.gz OLZAKJJYDGWTJH-NSHDSACASA-N 1 0 222.288 1.298 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000049647560 170168336 /nfs/dbraw/zinc/16/83/36/170168336.db2.gz GAPMXNKPEDSTEP-LBPRGKRZSA-N 1 0 218.300 1.397 10 0 BDAERO CC[NH2+][C@H]1CC[S@@](=O)c2c(OC)cccc21 ZINC000041031287 170168914 /nfs/dbraw/zinc/16/89/14/170168914.db2.gz ZBXMILHTVJCBRF-QFYYESIMSA-N 1 0 239.340 1.857 10 0 BDAERO CCNc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cn1 ZINC000050817185 170173584 /nfs/dbraw/zinc/17/35/84/170173584.db2.gz MXXQAOSESUKAKJ-GFCCVEGCSA-N 1 0 235.331 1.470 10 0 BDAERO CCOC(=O)C(C)(C)Oc1ccc(C[NH3+])cc1 ZINC000035246687 170188346 /nfs/dbraw/zinc/18/83/46/170188346.db2.gz UDKIGIDOSXIQBK-UHFFFAOYSA-N 1 0 237.299 1.866 10 0 BDAERO CCOC(=O)C[C@H]1[NH2+]CCc2cc(O)ccc21 ZINC000040435333 170234212 /nfs/dbraw/zinc/23/42/12/170234212.db2.gz YUZRBBCLUXRIIV-GFCCVEGCSA-N 1 0 235.283 1.532 10 0 BDAERO CCOC(=O)[C@@H]1CC(C)(C)S[C@@H]1[NH3+] ZINC000039085265 170256894 /nfs/dbraw/zinc/25/68/94/170256894.db2.gz YCWQMFBKHOYJJH-RQJHMYQMSA-N 1 0 203.307 1.366 10 0 BDAERO CCOC(=O)[C@@H]1CCCN(CC[NH2+]C(C)C)C1 ZINC000042409180 170258517 /nfs/dbraw/zinc/25/85/17/170258517.db2.gz MAJSZWPTIQIPTH-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@@](C)(CC(C)C)N1CC[NH2+]CC1 ZINC000037964014 170260195 /nfs/dbraw/zinc/26/01/95/170260195.db2.gz UMXFHMCPECOUBR-CYBMUJFWSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000049371932 170268432 /nfs/dbraw/zinc/26/84/32/170268432.db2.gz TYSTZFCFBZPDBK-FIQHERPVSA-N 1 0 242.363 1.256 10 0 BDAERO CCOC(=O)[C@H](C[NH+](C)C)c1ccc(O)cc1 ZINC000077286499 170273139 /nfs/dbraw/zinc/27/31/39/170273139.db2.gz CETBJSBSTMXHOV-GFCCVEGCSA-N 1 0 237.299 1.601 10 0 in-vitro BDAERO CCOC(=O)[C@H](C[NH3+])Cc1cc(C)ccc1F ZINC000076159903 170273413 /nfs/dbraw/zinc/27/34/13/170273413.db2.gz CKLQALZJDXBTCH-NSHDSACASA-N 1 0 239.290 1.815 10 0 BDAERO CCOC(=O)[C@]1([NH3+])CC[C@H](OC(C)(C)C)C1 ZINC000035630190 170285802 /nfs/dbraw/zinc/28/58/02/170285802.db2.gz UPTXHFIKMPXRKH-CABZTGNLSA-N 1 0 229.320 1.615 10 0 BDAERO C[C@]1(CO)CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000660277866 411564436 /nfs/dbraw/zinc/56/44/36/411564436.db2.gz RNDIVKQGLGKKCK-YNEHKIRRSA-N 1 0 227.348 1.384 10 0 BDAERO CCOC(=O)c1ccn2c(N)c[nH+]c2c1 ZINC000259893395 170301073 /nfs/dbraw/zinc/30/10/73/170301073.db2.gz WPLKURCQQXRPKX-UHFFFAOYSA-N 1 0 205.217 1.093 10 0 BDAERO CCOC1CCN(CC2([NH3+])CCCC2)CC1 ZINC000040690239 170333096 /nfs/dbraw/zinc/33/30/96/170333096.db2.gz FKXKYVUSBYHERM-UHFFFAOYSA-N 1 0 226.364 1.759 10 0 BDAERO CCOCCC[NH2+][C@H](C)C(=O)N[C@H](C)CC ZINC000034938513 170382062 /nfs/dbraw/zinc/38/20/62/170382062.db2.gz VOEJLXKSEJHRGT-GHMZBOCLSA-N 1 0 230.352 1.306 10 0 BDAERO CC[N@@H+]1CCCC[C@H](Nc2cc[nH]n2)C1 ZINC000616628014 411631079 /nfs/dbraw/zinc/63/10/79/411631079.db2.gz JAJROBMRVVVHOD-JTQLQIEISA-N 1 0 208.309 1.696 10 0 BDAERO CCc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000657693357 411579764 /nfs/dbraw/zinc/57/97/64/411579764.db2.gz AONVUKOHDRZIIJ-AWEZNQCLSA-N 1 0 246.354 1.817 10 0 BDAERO CN1C[C@H](C[NH2+]Cc2cccc(F)c2)CC1=O ZINC000657694928 411581476 /nfs/dbraw/zinc/58/14/76/411581476.db2.gz SFYFVNBXGHIYJJ-NSHDSACASA-N 1 0 236.290 1.394 10 0 BDAERO CN1C[C@@H](C[NH2+]C/C=C/c2ccccc2)CC1=O ZINC000657697152 411582029 /nfs/dbraw/zinc/58/20/29/411582029.db2.gz NBVDMGGPKKVMLQ-LHRNQBEKSA-N 1 0 244.338 1.768 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC=C(C)C)C1 ZINC000660507062 411594960 /nfs/dbraw/zinc/59/49/60/411594960.db2.gz SDQUGZRBBUBRTM-NWDGAFQWSA-N 1 0 213.321 1.424 10 0 BDAERO COc1ccc(C[NH2+]C2CC(CO)C2)cc1O ZINC000657808151 411601296 /nfs/dbraw/zinc/60/12/96/411601296.db2.gz BTJDEXAMVHONMS-UHFFFAOYSA-N 1 0 237.299 1.261 10 0 BDAERO CCc1ncc(C[NH2+]C2CC(CO)C2)s1 ZINC000657812785 411604080 /nfs/dbraw/zinc/60/40/80/411604080.db2.gz OBCMERFTFBOCAT-UHFFFAOYSA-N 1 0 226.345 1.566 10 0 BDAERO COC[C@H](C[NH2+]C1(C(C)C)CC1)OC ZINC000660639751 411611262 /nfs/dbraw/zinc/61/12/62/411611262.db2.gz KDVXQNMKCLIZJE-JTQLQIEISA-N 1 0 201.310 1.426 10 0 BDAERO Cc1nsc(NC(=O)C[C@H]([NH3+])C(C)C)n1 ZINC000131768925 411618176 /nfs/dbraw/zinc/61/81/76/411618176.db2.gz JFOJAXHZVHDISZ-ZETCQYMHSA-N 1 0 228.321 1.158 10 0 BDAERO CCO[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)CC)C1 ZINC000042424950 170505051 /nfs/dbraw/zinc/50/50/51/170505051.db2.gz ZWKUOSDBTSPZPF-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000063173099 170538240 /nfs/dbraw/zinc/53/82/40/170538240.db2.gz YXACBOMRIZBGRU-STQMWFEESA-N 1 0 248.326 1.695 10 0 BDAERO CCOc1cccc(-c2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000058053963 170572257 /nfs/dbraw/zinc/57/22/57/170572257.db2.gz JGKFQPSJNTZLCF-UHFFFAOYSA-N 1 0 245.282 1.294 10 0 BDAERO CCSCC[NH2+]C[C@H]1CCC[C@H]1O ZINC000129006816 170636842 /nfs/dbraw/zinc/63/68/42/170636842.db2.gz HBWMQEWSEGWVTI-NXEZZACHSA-N 1 0 203.351 1.490 10 0 BDAERO Cc1nccnc1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000630534364 411790175 /nfs/dbraw/zinc/79/01/75/411790175.db2.gz WPNZFEMQQIRNCU-WCBMZHEXSA-N 1 0 206.293 1.337 10 0 BDAERO CCOc1nccnc1NC[C@H]1CCC[NH2+]1 ZINC000515342463 411720508 /nfs/dbraw/zinc/72/05/08/411720508.db2.gz PAVIBGMCBZFHSJ-SECBINFHSA-N 1 0 222.292 1.039 10 0 BDAERO CC(C)(C)[NH+]1CCC(c2cc(N)n[nH]2)CC1 ZINC000616620345 411863869 /nfs/dbraw/zinc/86/38/69/411863869.db2.gz WRZIQBNULBXNOB-UHFFFAOYSA-N 1 0 222.336 1.970 10 0 BDAERO C[C@@H]1C[NH+](CC2(O)CCC2)C[C@@H](C)C1=O ZINC000661537923 411798336 /nfs/dbraw/zinc/79/83/36/411798336.db2.gz GGRVAXLTRJRAFT-NXEZZACHSA-N 1 0 211.305 1.058 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@H]1c1c[nH]nc1N ZINC000616645138 411868191 /nfs/dbraw/zinc/86/81/91/411868191.db2.gz LHKVTQIAIARRLM-JTQLQIEISA-N 1 0 224.308 1.164 10 0 BDAERO CC[N@@H+]1CCOCC[C@@H]1c1ccnc(N)c1 ZINC000616598948 411857345 /nfs/dbraw/zinc/85/73/45/411857345.db2.gz MAQUPBDXVPDYTC-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO CC[N@@H+]1CCC[C@H](n2ccc(N)n2)CC1 ZINC000616630263 411857783 /nfs/dbraw/zinc/85/77/83/411857783.db2.gz ZXEJBBTXLKCEMM-JTQLQIEISA-N 1 0 208.309 1.512 10 0 BDAERO Cc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1O ZINC000133652323 411885103 /nfs/dbraw/zinc/88/51/03/411885103.db2.gz QFHJSZVSEYIQRS-JTQLQIEISA-N 1 0 234.299 1.040 10 0 BDAERO C[N@@H+]1CCCC[C@@H](c2ccnc(N)c2)C1 ZINC000616605319 411893391 /nfs/dbraw/zinc/89/33/91/411893391.db2.gz MRZAODXRYVDGKB-LLVKDONJSA-N 1 0 205.305 1.863 10 0 BDAERO C[C@@H]1CCN1c1cc(N)[nH+]cc1Br ZINC000575587227 411904385 /nfs/dbraw/zinc/90/43/85/411904385.db2.gz HTUBVSVNYCLAPD-ZCFIWIBFSA-N 1 0 242.120 2.025 10 0 BDAERO CC[C@H]([NH2+]Cc1nnnn1C(C)C)C1CC1 ZINC000661759736 411871267 /nfs/dbraw/zinc/87/12/67/411871267.db2.gz ZHNNHLRDQAIIIH-JTQLQIEISA-N 1 0 223.324 1.532 10 0 BDAERO CCc1cc(NC2CC(CO)C2)cc[nH+]1 ZINC000664649154 412006474 /nfs/dbraw/zinc/00/64/74/412006474.db2.gz OKLACDSCMDXWFJ-UHFFFAOYSA-N 1 0 206.289 1.249 10 0 BDAERO CC[C@@H](O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000106384939 170930444 /nfs/dbraw/zinc/93/04/44/170930444.db2.gz KMXGDXSBUMIPCM-LLVKDONJSA-N 1 0 223.320 1.360 10 0 BDAERO CC[C@@H](Oc1cccc2c1CC[C@H]2[NH2+]C)C(N)=O ZINC000062799135 170946393 /nfs/dbraw/zinc/94/63/93/170946393.db2.gz JWRVWLZLTCAYLO-VXGBXAGGSA-N 1 0 248.326 1.536 10 0 BDAERO CC[C@@H](c1nc(-c2ccncc2)no1)[C@H](C)[NH3+] ZINC000110444749 170957229 /nfs/dbraw/zinc/95/72/29/170957229.db2.gz HERPIYJAWICSCZ-WCBMZHEXSA-N 1 0 232.287 1.972 10 0 BDAERO CC[C@@H]1CCN(CCc2ccncc2)CC[NH2+]1 ZINC000049662220 171012848 /nfs/dbraw/zinc/01/28/48/171012848.db2.gz UYWIYCWAYQBHTO-CQSZACIVSA-N 1 0 233.359 1.698 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@](C)(O)CCOC)C1 ZINC000300394226 171041154 /nfs/dbraw/zinc/04/11/54/171041154.db2.gz IZEHWGAIEXYENF-JHJVBQTASA-N 1 0 229.364 1.942 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+]CCn1cc(C)cn1 ZINC000336736715 171043984 /nfs/dbraw/zinc/04/39/84/171043984.db2.gz PPLIBOAXTODCDL-NEPJUHHUSA-N 1 0 207.321 1.970 10 0 BDAERO CC[C@@H]1CN(Cc2ccc(C[NH3+])cc2)CCO1 ZINC000036769154 171087538 /nfs/dbraw/zinc/08/75/38/171087538.db2.gz PWKUSYXMCJQODL-CQSZACIVSA-N 1 0 234.343 1.756 10 0 BDAERO CC[C@@H]1CN([C@@](C)(C[NH3+])C(C)C)CCO1 ZINC000041053646 171096825 /nfs/dbraw/zinc/09/68/25/171096825.db2.gz DYNQHJLZTXCKNV-NEPJUHHUSA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CCCOC ZINC000082926645 171100992 /nfs/dbraw/zinc/10/09/92/171100992.db2.gz BLRRKRHRGNTNEB-CHWSQXEVSA-N 1 0 228.380 1.731 10 0 BDAERO CC[C@@H]1COCCN1CC[C@@H]1CCC[NH2+]1 ZINC000042172144 171105576 /nfs/dbraw/zinc/10/55/76/171105576.db2.gz KNQFROZKPCULCB-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000036135028 171108198 /nfs/dbraw/zinc/10/81/98/171108198.db2.gz JCZOTWNFTYNUNT-TUAOUCFPSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@@](C)(C[NH3+])CN1CCn2ccnc2C1 ZINC000062322235 171166668 /nfs/dbraw/zinc/16/66/68/171166668.db2.gz BBPFFLCWSCNOIH-LBPRGKRZSA-N 1 0 222.336 1.074 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000372876771 171178374 /nfs/dbraw/zinc/17/83/74/171178374.db2.gz IPJYNGBFBBXXKS-ZIAGYGMSSA-N 1 0 240.391 1.708 10 0 BDAERO CC[C@@]1(C)C[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000131807806 171208036 /nfs/dbraw/zinc/20/80/36/171208036.db2.gz ZIRMARLZNUOSPH-GVAFYICXSA-N 1 0 224.348 1.809 10 0 BDAERO CC[C@@]1(c2ccccc2)C[C@]1(C[NH3+])CO ZINC000070501135 171216376 /nfs/dbraw/zinc/21/63/76/171216376.db2.gz VCUSVQPQEQFTDH-STQMWFEESA-N 1 0 205.301 1.676 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344026908 171282049 /nfs/dbraw/zinc/28/20/49/171282049.db2.gz JPGKKKAYZCVFNC-DCAQKATOSA-N 1 0 201.310 1.114 10 0 BDAERO CC[C@H](C)C[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000309721020 171287074 /nfs/dbraw/zinc/28/70/74/171287074.db2.gz WAPQZTORFBEGIW-GXSJLCMTSA-N 1 0 222.336 1.537 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)C[C@H]1CCC[NH2+]1 ZINC000042591067 171314708 /nfs/dbraw/zinc/31/47/08/171314708.db2.gz HLMWTICOTXOIIH-NWDGAFQWSA-N 1 0 242.363 1.402 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1O ZINC000038014342 171322349 /nfs/dbraw/zinc/32/23/49/171322349.db2.gz OJOWQYRVELRUPR-TUAOUCFPSA-N 1 0 242.363 1.184 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000049557552 171332329 /nfs/dbraw/zinc/33/23/29/171332329.db2.gz JMZUGUZEFZFICO-SDDRHHMPSA-N 1 0 243.395 1.219 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])C(C)C ZINC000076582784 171333315 /nfs/dbraw/zinc/33/33/15/171333315.db2.gz ZMPVJRKWCHCACJ-UWVGGRQHSA-N 1 0 200.326 1.522 10 0 BDAERO CC[C@H](C)[NH2+]C[C@H](O)c1ccc(N)cc1 ZINC000002003345 171342533 /nfs/dbraw/zinc/34/25/33/171342533.db2.gz UWYLQWLJGMLJQF-CABZTGNLSA-N 1 0 208.305 1.690 10 0 in-man BDAERO CC[C@H](C)[NH2+]Cc1nnc2ncccn12 ZINC000037475070 171344519 /nfs/dbraw/zinc/34/45/19/171344519.db2.gz FYIYRWAXHDJCQK-QMMMGPOBSA-N 1 0 205.265 1.012 10 0 BDAERO CC(C)([NH3+])CCC(=O)NC[C@@H](O)C(C)(C)C ZINC000324471803 487622022 /nfs/dbraw/zinc/62/20/22/487622022.db2.gz AXLHCWZVQZVZIV-SECBINFHSA-N 1 0 230.352 1.027 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000042554621 171366620 /nfs/dbraw/zinc/36/66/20/171366620.db2.gz LFRYIHYCBLDLAQ-HBNTYKKESA-N 1 0 240.347 1.547 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)CCCO ZINC000226704713 171371609 /nfs/dbraw/zinc/37/16/09/171371609.db2.gz CXAWZDPDPWVIGJ-WDEREUQCSA-N 1 0 244.379 1.275 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CSc1nncn1C ZINC000087541366 171372192 /nfs/dbraw/zinc/37/21/92/171372192.db2.gz TXRIJJTWNNSICP-YUMQZZPRSA-N 1 0 214.338 1.281 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccncc1 ZINC000035693615 171395782 /nfs/dbraw/zinc/39/57/82/171395782.db2.gz AUSWZVGCWMYEID-NHCYSSNCSA-N 1 0 235.331 1.632 10 0 BDAERO Cc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662446683 412178550 /nfs/dbraw/zinc/17/85/50/412178550.db2.gz NWWOXKJWMRRDCS-SRVKXCTJSA-N 1 0 232.327 1.910 10 0 BDAERO CC[C@H]([NH3+])C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000037771084 171482980 /nfs/dbraw/zinc/48/29/80/171482980.db2.gz MGFBHYJUHOAARM-JTQLQIEISA-N 1 0 238.335 1.757 10 0 BDAERO CC[C@H]([NH3+])CSc1nc(C)cc(C)n1 ZINC000081877932 171485642 /nfs/dbraw/zinc/48/56/42/171485642.db2.gz IIHLYJYPTWDWSY-VIFPVBQESA-N 1 0 211.334 1.923 10 0 BDAERO CC[C@H]([NH3+])Cc1cnn(CC2CCOCC2)c1 ZINC000054741621 171486526 /nfs/dbraw/zinc/48/65/26/171486526.db2.gz XUSJFGYLAXPRCZ-ZDUSSCGKSA-N 1 0 237.347 1.590 10 0 BDAERO CC[C@H]([NH3+])Cn1cccc(Br)c1=O ZINC000057834887 171486535 /nfs/dbraw/zinc/48/65/35/171486535.db2.gz DIPWUGWJAYHVGU-ZETCQYMHSA-N 1 0 245.120 1.348 10 0 BDAERO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)C(C)(C)C ZINC000336732944 171517294 /nfs/dbraw/zinc/51/72/94/171517294.db2.gz JSVMONAYWDXCDT-JTQLQIEISA-N 1 0 247.404 1.978 10 0 BDAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000662400882 412149184 /nfs/dbraw/zinc/14/91/84/412149184.db2.gz GBNUYKGUIYIIIW-OSJZAZGFSA-N 1 0 248.370 1.822 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](CCF)C1 ZINC000662686874 412270716 /nfs/dbraw/zinc/27/07/16/412270716.db2.gz BKFVNFMWNYIZOB-NXEZZACHSA-N 1 0 216.300 1.193 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@@H]1[NH3+] ZINC000662573018 412225310 /nfs/dbraw/zinc/22/53/10/412225310.db2.gz QFPYDZMWNJQURB-JQWIXIFHSA-N 1 0 236.359 1.762 10 0 BDAERO CC(F)(F)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000662898094 412338532 /nfs/dbraw/zinc/33/85/32/412338532.db2.gz KUABXHLLVGGWCF-HTQZYQBOSA-N 1 0 220.263 1.133 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])O1 ZINC000662896630 412338682 /nfs/dbraw/zinc/33/86/82/412338682.db2.gz OPOGZPSZVBLKRW-WISYIIOYSA-N 1 0 240.347 1.140 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC1CC2(CCC2)C1 ZINC000662905841 412341245 /nfs/dbraw/zinc/34/12/45/412341245.db2.gz GLRFIQAUDOIWPC-NSHDSACASA-N 1 0 224.348 1.809 10 0 BDAERO COC[C@@]1(C(=O)NC2CC(C)(C)C2)CCC[NH2+]1 ZINC000662947428 412350892 /nfs/dbraw/zinc/35/08/92/412350892.db2.gz OSPDRDMTTAHCDB-CYBMUJFWSA-N 1 0 240.347 1.060 10 0 BDAERO CCC[C@H](C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662975582 412361285 /nfs/dbraw/zinc/36/12/85/412361285.db2.gz IWKCZKZZKXZYNT-JGVFFNPUSA-N 1 0 240.269 1.771 10 0 BDAERO CC(C)CC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662977769 412361789 /nfs/dbraw/zinc/36/17/89/412361789.db2.gz WLMWLKZOIZJMSV-ZETCQYMHSA-N 1 0 226.242 1.381 10 0 BDAERO C[NH2+]CCOCCNc1nc2ccccc2n1C ZINC000630530459 412292659 /nfs/dbraw/zinc/29/26/59/412292659.db2.gz KLWQTKUMDRXCTO-UHFFFAOYSA-N 1 0 248.330 1.221 10 0 BDAERO CC(C)[NH+]1CCC(Nc2cc[nH]n2)CC1 ZINC000616619050 412294321 /nfs/dbraw/zinc/29/43/21/412294321.db2.gz HPXDHTGDXUEXFI-UHFFFAOYSA-N 1 0 208.309 1.694 10 0 BDAERO CCc1c(C)nc([C@H](C)N2CC[NH2+]CC2)nc1C ZINC000104058595 171741522 /nfs/dbraw/zinc/74/15/22/171741522.db2.gz SCFWYMMNERMNQZ-LBPRGKRZSA-N 1 0 248.374 1.622 10 0 BDAERO CCCc1nccnc1N1CCC[C@H](C[NH2+]C)C1 ZINC000663269783 412403900 /nfs/dbraw/zinc/40/39/00/412403900.db2.gz BDBOZBQRAVWCHO-GFCCVEGCSA-N 1 0 248.374 1.865 10 0 BDAERO c1ccc2c(c1)ncnc2NCC12CC(C1)C[NH2+]2 ZINC000663274302 412404705 /nfs/dbraw/zinc/40/47/05/412404705.db2.gz OJESMANJDBJKDC-UHFFFAOYSA-N 1 0 240.310 1.794 10 0 BDAERO CCc1nsc(N[C@H](C)C[NH2+]C)n1 ZINC000663277255 412406447 /nfs/dbraw/zinc/40/64/47/412406447.db2.gz LXBBDTFSVOJJPX-ZCFIWIBFSA-N 1 0 200.311 1.120 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ncnc2ccccc21 ZINC000663278842 412407689 /nfs/dbraw/zinc/40/76/89/412407689.db2.gz MOQOFOGWNYUYGE-SECBINFHSA-N 1 0 216.288 1.650 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ccc(Br)cn1 ZINC000663279487 412408191 /nfs/dbraw/zinc/40/81/91/412408191.db2.gz RIUTXXNFTCQDKW-SSDOTTSWSA-N 1 0 244.136 1.864 10 0 BDAERO CCc1nc(C)cc(N[C@@H](C)C[NH2+]C)n1 ZINC000663279979 412408282 /nfs/dbraw/zinc/40/82/82/412408282.db2.gz WEDHSRBJRNXKGN-VIFPVBQESA-N 1 0 208.309 1.367 10 0 BDAERO CCc1ccc([C@@H]2C[C@@]2(C[NH3+])CO)cc1 ZINC000070500189 171837439 /nfs/dbraw/zinc/83/74/39/171837439.db2.gz UZYJKJJTRQANDA-QWHCGFSZSA-N 1 0 205.301 1.674 10 0 BDAERO CCC(CC)[C@H](O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000225811135 487623586 /nfs/dbraw/zinc/62/35/86/487623586.db2.gz UUMWIEDWUOWRSN-NWDGAFQWSA-N 1 0 244.379 1.273 10 0 BDAERO CCc1nnc(C[NH2+][C@H]2CCC[C@@H]2C)n1C ZINC000309953717 172053356 /nfs/dbraw/zinc/05/33/56/172053356.db2.gz HIJFADQNYURYKG-UWVGGRQHSA-N 1 0 222.336 1.656 10 0 BDAERO CCc1nnc(C[NH2+][C@@H]2CSC[C@H]2C)n1C ZINC000309938669 172053919 /nfs/dbraw/zinc/05/39/19/172053919.db2.gz AYAUTQHCDWVRQH-RKDXNWHRSA-N 1 0 240.376 1.219 10 0 BDAERO CCc1nnc(COC2CCC([NH3+])CC2)o1 ZINC000055142811 172055629 /nfs/dbraw/zinc/05/56/29/172055629.db2.gz DUHJRAKWXLFKCH-UHFFFAOYSA-N 1 0 225.292 1.419 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000336779681 172139285 /nfs/dbraw/zinc/13/92/85/172139285.db2.gz PDUWIOCANBATQV-MWLCHTKSSA-N 1 0 222.336 1.885 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000336779679 172139992 /nfs/dbraw/zinc/13/99/92/172139992.db2.gz PDUWIOCANBATQV-GXSJLCMTSA-N 1 0 222.336 1.885 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@](C)(CO)C(C)C ZINC000352881803 172140464 /nfs/dbraw/zinc/14/04/64/172140464.db2.gz KCKFWPOEXJOGQK-GFCCVEGCSA-N 1 0 240.351 1.103 10 0 BDAERO CCn1c(C[NH2+]CCOC)nc(C)c1C ZINC000045205791 172145328 /nfs/dbraw/zinc/14/53/28/172145328.db2.gz GNCUPYJVKWANQG-UHFFFAOYSA-N 1 0 211.309 1.256 10 0 BDAERO CCn1cc(C[C@@H]([NH3+])COc2ccccc2)cn1 ZINC000054436950 172177227 /nfs/dbraw/zinc/17/72/27/172177227.db2.gz VMWMKBGJQDWZDS-CYBMUJFWSA-N 1 0 245.326 1.852 10 0 BDAERO CCn1cc([C@@H]([NH3+])c2ccccn2)cn1 ZINC000043469139 172194404 /nfs/dbraw/zinc/19/44/04/172194404.db2.gz SEBRRQXGUOHSHE-LLVKDONJSA-N 1 0 202.261 1.346 10 0 BDAERO CCn1cc([C@H](C)N2CCC([NH3+])CC2)cn1 ZINC000044500875 172196016 /nfs/dbraw/zinc/19/60/16/172196016.db2.gz FCTRTSWFMDZRLA-JTQLQIEISA-N 1 0 222.336 1.387 10 0 BDAERO CCn1cc([C@@](O)([C@H](C)[NH3+])C(F)(F)F)cn1 ZINC000062784821 172196483 /nfs/dbraw/zinc/19/64/83/172196483.db2.gz YNXARUSDJIXIQG-XPUUQOCRSA-N 1 0 237.225 1.000 10 0 BDAERO CCn1cccc1C[NH2+]C[C@H]1CCCN1C ZINC000226019443 172207843 /nfs/dbraw/zinc/20/78/43/172207843.db2.gz MVBLLIXRZMICGZ-GFCCVEGCSA-N 1 0 221.348 1.692 10 0 BDAERO CCn1cccc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134530572 172209156 /nfs/dbraw/zinc/20/91/56/172209156.db2.gz CNXOISYKDUCYAX-ZYHUDNBSSA-N 1 0 208.305 1.775 10 0 BDAERO CCn1ccnc1-c1nc(C[NH3+])cs1 ZINC000075879521 172213195 /nfs/dbraw/zinc/21/31/95/172213195.db2.gz HHKQLBYULXSRAI-UHFFFAOYSA-N 1 0 208.290 1.485 10 0 BDAERO CCn1ccnc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000344576828 172223960 /nfs/dbraw/zinc/22/39/60/172223960.db2.gz COZHQZVMJSZTHP-CYZMBNFOSA-N 1 0 249.358 1.806 10 0 BDAERO CCn1nc(C)c([C@H](C)[NH2+]CCO)c1C ZINC000045169249 172249122 /nfs/dbraw/zinc/24/91/22/172249122.db2.gz OXPCBOWIALPCNL-QMMMGPOBSA-N 1 0 211.309 1.163 10 0 BDAERO CN(C(=O)C1CC1)c1ccc(OCCC[NH3+])cc1 ZINC000020225116 172298216 /nfs/dbraw/zinc/29/82/16/172298216.db2.gz KHVQTMBFBTYXTE-UHFFFAOYSA-N 1 0 248.326 1.787 10 0 BDAERO CN(C)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336658360 172467224 /nfs/dbraw/zinc/46/72/24/172467224.db2.gz QFUBZKCYSMQLRL-MNOVXSKESA-N 1 0 202.317 1.666 10 0 BDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000106454497 172521706 /nfs/dbraw/zinc/52/17/06/172521706.db2.gz NXBBFLSFUVBVNP-ZDUSSCGKSA-N 1 0 232.327 1.438 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2c(N)cccc2F)C1 ZINC000104053535 172527767 /nfs/dbraw/zinc/52/77/67/172527767.db2.gz GEMXLJCXGHGGOP-SNVBAGLBSA-N 1 0 237.322 1.544 10 0 BDAERO CN(CC(=O)c1ccccn1)C[C@H]1CCCC[NH2+]1 ZINC000095070859 172619249 /nfs/dbraw/zinc/61/92/49/172619249.db2.gz KXAFRXMQXHBYIG-GFCCVEGCSA-N 1 0 247.342 1.338 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1cc(Cl)ncn1 ZINC000095070822 172808822 /nfs/dbraw/zinc/80/88/22/172808822.db2.gz UWDWFYDFNAPBRR-VIFPVBQESA-N 1 0 240.738 1.708 10 0 BDAERO CN(C[C@@H]1CC[NH2+]C1)c1nc2ccccc2o1 ZINC000095071262 172816199 /nfs/dbraw/zinc/81/61/99/172816199.db2.gz SVFHMZNMIVCWID-SNVBAGLBSA-N 1 0 231.299 1.874 10 0 BDAERO CN(C[C@H]1CCCO1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291290 172828387 /nfs/dbraw/zinc/82/83/87/172828387.db2.gz YLKRQAWVLCPOBL-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO CN(Cc1ccco1)c1cc(N)cc[nH+]1 ZINC000043568908 172891450 /nfs/dbraw/zinc/89/14/50/172891450.db2.gz PANINGAXDXEXRN-UHFFFAOYSA-N 1 0 203.245 1.893 10 0 BDAERO C[NH+]1CCC(c2cccc(C(N)=O)c2)CC1 ZINC000075906026 173002054 /nfs/dbraw/zinc/00/20/54/173002054.db2.gz IZIUGDMYCRPZBN-UHFFFAOYSA-N 1 0 218.300 1.595 10 0 BDAERO C[N@@H+]1CCCC[C@H]1c1cccc(C(N)=O)c1 ZINC000075906919 173009167 /nfs/dbraw/zinc/00/91/67/173009167.db2.gz JEJIUJTYOOTBNZ-LBPRGKRZSA-N 1 0 218.300 1.942 10 0 BDAERO C[N@@H+]1CCC[C@@H](NC2N=NC(=S)S2)C1 ZINC000040715885 173022144 /nfs/dbraw/zinc/02/21/44/173022144.db2.gz DMXKESNNYVJVHY-ZCFIWIBFSA-N 1 0 230.362 1.333 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2noc3c2CCN3)C1 ZINC000003704190 173022991 /nfs/dbraw/zinc/02/29/91/173022991.db2.gz TWPKIMJGAPYLNS-MRVPVSSYSA-N 1 0 207.277 1.452 10 0 BDAERO C[N@@H+]1CCC[C@@]12CCN(c1cnccn1)C2 ZINC000038435683 173038125 /nfs/dbraw/zinc/03/81/25/173038125.db2.gz DSMSPUXVMPEGNP-LBPRGKRZSA-N 1 0 218.304 1.151 10 0 BDAERO CN1CCC[C@]([NH3+])(c2ccc(F)cc2)C1 ZINC000084387305 173061203 /nfs/dbraw/zinc/06/12/03/173061203.db2.gz PMQHZPNICJTVKA-GFCCVEGCSA-N 1 0 208.280 1.705 10 0 BDAERO C[NH+]1CCN(CCNc2ccc(F)cc2)CC1 ZINC000041278852 173081639 /nfs/dbraw/zinc/08/16/39/173081639.db2.gz GIYZRYRALDJCIG-UHFFFAOYSA-N 1 0 237.322 1.485 10 0 BDAERO CN1CCO[C@H](C[NH2+]CC2CCCC2)C1 ZINC000069661150 173106600 /nfs/dbraw/zinc/10/66/00/173106600.db2.gz LKANZKVXLLFBJE-GFCCVEGCSA-N 1 0 212.337 1.097 10 0 BDAERO CN1CCO[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000082432938 173107756 /nfs/dbraw/zinc/10/77/56/173107756.db2.gz ACYGXXVDOGKDGS-CYBMUJFWSA-N 1 0 220.316 1.107 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2ncccc2F)C1 ZINC000054700624 173117677 /nfs/dbraw/zinc/11/76/77/173117677.db2.gz LDYIIPQHRHVGCT-VIFPVBQESA-N 1 0 209.268 1.584 10 0 BDAERO C[N@@H+]1CC[C@@H](CNCc2cn3ccccc3n2)C1 ZINC000037655414 173118321 /nfs/dbraw/zinc/11/83/21/173118321.db2.gz ZTWBDINGNYCJAN-LBPRGKRZSA-N 1 0 244.342 1.376 10 0 BDAERO CN1CC[C@@H]([NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000069798790 173119221 /nfs/dbraw/zinc/11/92/21/173119221.db2.gz SSVHXBQGSQFNJU-MNOVXSKESA-N 1 0 212.243 1.669 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ncccc2Cl)C1 ZINC000042548174 173125073 /nfs/dbraw/zinc/12/50/73/173125073.db2.gz CVTGYATXEMSMGN-MRVPVSSYSA-N 1 0 211.696 1.851 10 0 BDAERO CN1CC[C@@H]([NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000042544653 173125689 /nfs/dbraw/zinc/12/56/89/173125689.db2.gz HMCHJONCILCQRY-BXKDBHETSA-N 1 0 234.299 1.119 10 0 BDAERO C[N@@H+]1CC[C@@](CO)(Nc2ccccc2F)C1 ZINC000061992174 173134818 /nfs/dbraw/zinc/13/48/18/173134818.db2.gz MXNMSOFWDRUBNM-GFCCVEGCSA-N 1 0 224.279 1.304 10 0 BDAERO CN1CC[C@@](CN)([N@H+](C)C2CCCCC2)C1 ZINC000061990034 173135292 /nfs/dbraw/zinc/13/52/92/173135292.db2.gz NYAYUFMJEASGLK-ZDUSSCGKSA-N 1 0 225.380 1.284 10 0 BDAERO CN(Cc1cccs1)[C@]1(C[NH3+])CCN(C)C1 ZINC000061990242 173137085 /nfs/dbraw/zinc/13/70/85/173137085.db2.gz WBLOBCMMUUQMQT-LBPRGKRZSA-N 1 0 239.388 1.213 10 0 BDAERO C[N@@H+]1CC[C@H](CNCc2ccc(Cl)o2)C1 ZINC000037655381 173146705 /nfs/dbraw/zinc/14/67/05/173146705.db2.gz GKKGERROKQJLLH-SECBINFHSA-N 1 0 228.723 1.974 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ccc(F)cn2)C1 ZINC000041045409 173146905 /nfs/dbraw/zinc/14/69/05/173146905.db2.gz HDPOFOBCWJVPEC-SECBINFHSA-N 1 0 209.268 1.584 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2cc3ccccc3c(=O)[nH]2)C1 ZINC000042547938 173153871 /nfs/dbraw/zinc/15/38/71/173153871.db2.gz KGOBBPXVGKMDRB-NSHDSACASA-N 1 0 243.310 1.644 10 0 BDAERO CN(C)c1ccccc1N[C@H]1CC[N@H+](C)C1 ZINC000061987012 173156270 /nfs/dbraw/zinc/15/62/70/173156270.db2.gz NGDUMZDPJMDECW-NSHDSACASA-N 1 0 219.332 1.869 10 0 BDAERO C[N@@H+]1CC[C@]2(CCCN2c2cncnc2)C1 ZINC000090504966 173164314 /nfs/dbraw/zinc/16/43/14/173164314.db2.gz RIXKBENZAAKEKO-GFCCVEGCSA-N 1 0 218.304 1.151 10 0 BDAERO CN1CC[C@@H](Nc2ccc3c(c2)C[N@@H+](C)C3)C1=O ZINC000116389470 173202155 /nfs/dbraw/zinc/20/21/55/173202155.db2.gz HFQWTCZOBAFLBY-CYBMUJFWSA-N 1 0 245.326 1.275 10 0 BDAERO CNC(=O)CCOc1cccc(C[C@@H](C)[NH3+])c1 ZINC000051761993 173262161 /nfs/dbraw/zinc/26/21/61/173262161.db2.gz GEVRUNPLDXBYTC-SNVBAGLBSA-N 1 0 236.315 1.091 10 0 BDAERO CNC(=O)C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627369 173277646 /nfs/dbraw/zinc/27/76/46/173277646.db2.gz IOPGCYQMRDEDSL-UHFFFAOYSA-N 1 0 224.329 1.072 10 0 BDAERO CNC(=O)COc1cc(C)ccc1[C@@H](C)[NH2+]C ZINC000104343812 173279159 /nfs/dbraw/zinc/27/91/59/173279159.db2.gz QTRMCKFYURFNGP-SNVBAGLBSA-N 1 0 236.315 1.400 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000042560160 173295066 /nfs/dbraw/zinc/29/50/66/173295066.db2.gz SGSOQXDSARZSLH-GFCCVEGCSA-N 1 0 234.343 1.836 10 0 BDAERO CNC(=O)[C@@H](C[NH3+])Cc1ccc2ccccc2c1 ZINC000050303761 173296432 /nfs/dbraw/zinc/29/64/32/173296432.db2.gz ARJYEWXOHXRVPO-CQSZACIVSA-N 1 0 242.322 1.703 10 0 BDAERO CNC(=O)[C@@H](C[NH3+])Cc1c(C)cc(C)cc1C ZINC000050303827 173296580 /nfs/dbraw/zinc/29/65/80/173296580.db2.gz DSWZPCMCZHGSRV-GFCCVEGCSA-N 1 0 234.343 1.475 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042862213 173302679 /nfs/dbraw/zinc/30/26/79/173302679.db2.gz ZDVCFQYUWZUTAQ-DCAQKATOSA-N 1 0 212.337 1.537 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc(C[C@H](C)[NH3+])cc1 ZINC000037723814 173304314 /nfs/dbraw/zinc/30/43/14/173304314.db2.gz SGKALCLADCWNNO-UWVGGRQHSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccccc1[C@H](C)[NH3+] ZINC000020419409 173304453 /nfs/dbraw/zinc/30/44/53/173304453.db2.gz XQAFNKXWTQBCEA-IUCAKERBSA-N 1 0 222.288 1.220 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1c(C)noc1C ZINC000061317512 173317499 /nfs/dbraw/zinc/31/74/99/173317499.db2.gz VCUAZEDEGWUGNZ-UHFFFAOYSA-N 1 0 239.319 1.248 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000061317402 173318660 /nfs/dbraw/zinc/31/86/60/173318660.db2.gz PFALWUNLMSQLDA-QWRGUYRKSA-N 1 0 240.347 1.154 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000061300404 173318701 /nfs/dbraw/zinc/31/87/01/173318701.db2.gz JKQBCOVJYXFPAK-UHFFFAOYSA-N 1 0 212.337 1.681 10 0 BDAERO C[NH2+]C(C)(C)CN1CCOC(C)(C)C1 ZINC000061319610 173319020 /nfs/dbraw/zinc/31/90/20/173319020.db2.gz OTHVTWALNPGFQT-UHFFFAOYSA-N 1 0 200.326 1.095 10 0 BDAERO C[NH2+]C(C)(C)CN1C[C@H](C)OC[C@H]1C ZINC000061319586 173319070 /nfs/dbraw/zinc/31/90/70/173319070.db2.gz UVDZRTILRVRENR-ZJUUUORDSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+]CC(=O)N[C@H](C)c1sc(C)nc1C ZINC000040519056 173333146 /nfs/dbraw/zinc/33/31/46/173333146.db2.gz GNVBMQQLEVCVQX-SSDOTTSWSA-N 1 0 227.333 1.157 10 0 BDAERO C[NH2+]CC(=O)c1cc(OC)c(OC)cc1OC ZINC000096889938 173336221 /nfs/dbraw/zinc/33/62/21/173336221.db2.gz DADTZBIFKYCZFQ-UHFFFAOYSA-N 1 0 239.271 1.115 10 0 BDAERO C[NH2+]CC(=O)c1ccc(OC(C)C)cc1 ZINC000041613327 173336692 /nfs/dbraw/zinc/33/66/92/173336692.db2.gz HQOCWRVSYDPTMY-UHFFFAOYSA-N 1 0 207.273 1.876 10 0 BDAERO C[NH2+]CC1CCN(C(=O)Cc2ccccn2)CC1 ZINC000063159426 173338657 /nfs/dbraw/zinc/33/86/57/173338657.db2.gz TZFPGVZJTDOFBF-UHFFFAOYSA-N 1 0 247.342 1.082 10 0 BDAERO C[NH2+]CCC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000043604167 173341960 /nfs/dbraw/zinc/34/19/60/173341960.db2.gz YSDLYRCIUBVXSS-UHFFFAOYSA-N 1 0 244.298 1.625 10 0 BDAERO C[NH2+]CCCC(=O)Nc1cccc2n[nH]cc21 ZINC000037769596 173345380 /nfs/dbraw/zinc/34/53/80/173345380.db2.gz XMWFPVJMQUWPFN-UHFFFAOYSA-N 1 0 232.287 1.501 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc2[nH]cnc2c1 ZINC000077364537 173352816 /nfs/dbraw/zinc/35/28/16/173352816.db2.gz YKQSJZRZMOOWBY-UHFFFAOYSA-N 1 0 232.331 1.257 10 0 BDAERO C[NH2+]CCN1CCc2sccc2[C@H]1C ZINC000042779730 173354263 /nfs/dbraw/zinc/35/42/63/173354263.db2.gz MLOJBXVIWWKVTN-SECBINFHSA-N 1 0 210.346 1.887 10 0 BDAERO C[NH2+]CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000237067496 173354954 /nfs/dbraw/zinc/35/49/54/173354954.db2.gz ICMVKROSRNEEBY-CHWSQXEVSA-N 1 0 232.327 1.434 10 0 BDAERO C[NH2+]CCOCCc1ccc2c(c1)ncn2C ZINC000077366800 173357003 /nfs/dbraw/zinc/35/70/03/173357003.db2.gz IQYQKRMNDWOTDH-UHFFFAOYSA-N 1 0 233.315 1.352 10 0 BDAERO C[NH2+]CCS(=O)(=O)c1ccc(C)c(C)c1 ZINC000071533368 173357885 /nfs/dbraw/zinc/35/78/85/173357885.db2.gz ZJSUCZYJXQSDPL-UHFFFAOYSA-N 1 0 227.329 1.297 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1cc(C)cc(C)c1 ZINC000077373171 173358190 /nfs/dbraw/zinc/35/81/90/173358190.db2.gz SRYISHOUEIWWGQ-CQSZACIVSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CC[C@@H](O)c1cc(OC)ccc1OC ZINC000049820066 173358565 /nfs/dbraw/zinc/35/85/65/173358565.db2.gz KGJCXCATYVNZHQ-LLVKDONJSA-N 1 0 225.288 1.347 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1ccc(C)c(C)c1 ZINC000077373169 173358871 /nfs/dbraw/zinc/35/88/71/173358871.db2.gz LOAYUHLJHHMLKJ-AWEZNQCLSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2Cc3ccccc3O2)n1 ZINC000051850673 173361708 /nfs/dbraw/zinc/36/17/08/173361708.db2.gz PSAQITBMRIGQHQ-NSHDSACASA-N 1 0 245.282 1.508 10 0 BDAERO C[NH2+]C[C@@H](C)Cn1nnc(-c2ccccc2)n1 ZINC000052574756 173363825 /nfs/dbraw/zinc/36/38/25/173363825.db2.gz DODVDEOPCFHPCM-SNVBAGLBSA-N 1 0 231.303 1.196 10 0 BDAERO C[NH2+]C[C@@H](C)COc1cc(OC)cc(OC)c1 ZINC000041282149 173364228 /nfs/dbraw/zinc/36/42/28/173364228.db2.gz YKSHXJDITIGTOR-SNVBAGLBSA-N 1 0 239.315 1.938 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ccc(F)cc1F ZINC000052650602 173364561 /nfs/dbraw/zinc/36/45/61/173364561.db2.gz GJKNRAPQIXNMKQ-SSDOTTSWSA-N 1 0 201.216 1.952 10 0 BDAERO C[NH2+]C[C@@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000019864927 173365475 /nfs/dbraw/zinc/36/54/75/173365475.db2.gz NWUGGGTULVWKQK-HBNTYKKESA-N 1 0 201.310 1.162 10 0 BDAERO C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000011802965 173365637 /nfs/dbraw/zinc/36/56/37/173365637.db2.gz KPAYUBASUPCEGW-MRVPVSSYSA-N 1 0 203.644 1.732 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(Cl)c(N)c1 ZINC000082534098 173366543 /nfs/dbraw/zinc/36/65/43/173366543.db2.gz DQMGNVUVFXIUHF-SECBINFHSA-N 1 0 200.669 1.175 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1C[C@H](O)c1ccccc1 ZINC000063169271 173366861 /nfs/dbraw/zinc/36/68/61/173366861.db2.gz IVQLGAOJSDWAMT-GJZGRUSLSA-N 1 0 248.370 1.794 10 0 BDAERO C[NH2+]C[C@@H](OCCOC)c1ccccc1OC ZINC000050496033 173367196 /nfs/dbraw/zinc/36/71/96/173367196.db2.gz SXIQZGRUFOEZSS-CYBMUJFWSA-N 1 0 239.315 1.619 10 0 BDAERO C[NH2+]C[C@@H]1CCCN([C@@H]2CCCC2=O)C1 ZINC000050158872 173368215 /nfs/dbraw/zinc/36/82/15/173368215.db2.gz UGRQPHDEBWEZCF-WDEREUQCSA-N 1 0 210.321 1.039 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2cccc(OC)c2)C(=O)O1 ZINC000077372199 173371511 /nfs/dbraw/zinc/37/15/11/173371511.db2.gz QDEBUODHPLUUEC-LLVKDONJSA-N 1 0 236.271 1.240 10 0 BDAERO C[NH2+]C[C@@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC000071544597 173371565 /nfs/dbraw/zinc/37/15/65/173371565.db2.gz PHTILSXTGOSZTD-CQSZACIVSA-N 1 0 234.343 1.415 10 0 BDAERO C[NH2+]C[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000052574696 173375954 /nfs/dbraw/zinc/37/59/54/173375954.db2.gz GZXHYRHFYYWLME-VIFPVBQESA-N 1 0 217.276 1.121 10 0 BDAERO C[NH2+]C[C@H](C)c1ccc2c(c1)OCCO2 ZINC000041215926 173375960 /nfs/dbraw/zinc/37/59/60/173375960.db2.gz NFEVWYXDQGSKLO-VIFPVBQESA-N 1 0 207.273 1.781 10 0 BDAERO C[NH2+]C[C@H](C)O[C@@H](C)C(=O)NC1CCCCC1 ZINC000051842242 173375997 /nfs/dbraw/zinc/37/59/97/173375997.db2.gz RIPNUOILMUOMLR-QWRGUYRKSA-N 1 0 242.363 1.448 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ncnc2sccc21 ZINC000051867270 173376110 /nfs/dbraw/zinc/37/61/10/173376110.db2.gz ZGKZSOJNHKJQIA-ZETCQYMHSA-N 1 0 223.301 1.678 10 0 BDAERO C[NH2+]C[C@H](O)c1cc2cc(C)ccc2o1 ZINC000082379586 173376532 /nfs/dbraw/zinc/37/65/32/173376532.db2.gz FJUIOAYZEPOGPI-JTQLQIEISA-N 1 0 205.257 1.994 10 0 BDAERO C[NH2+]C[C@H](O)Cc1c(C)cc(C)cc1C ZINC000041216478 173376662 /nfs/dbraw/zinc/37/66/62/173376662.db2.gz PXZJIRZRVDBDEW-GFCCVEGCSA-N 1 0 207.317 1.735 10 0 BDAERO C[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000019864365 173376955 /nfs/dbraw/zinc/37/69/55/173376955.db2.gz UVJKGXLXHYPLLW-NSHDSACASA-N 1 0 233.315 1.233 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(Br)c(N)c1 ZINC000082552118 173377195 /nfs/dbraw/zinc/37/71/95/173377195.db2.gz XZUJSGPBAYILAR-VIFPVBQESA-N 1 0 245.120 1.284 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(Br)cc1F ZINC000055027437 173377352 /nfs/dbraw/zinc/37/73/52/173377352.db2.gz IFWKDZOPVQEMBF-VIFPVBQESA-N 1 0 248.095 1.841 10 0 BDAERO C[NH2+]C[C@H](O)c1cccc2cnccc21 ZINC000082913756 173377671 /nfs/dbraw/zinc/37/76/71/173377671.db2.gz OHGFKEZHRLICRC-LBPRGKRZSA-N 1 0 202.257 1.488 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2ccc(N(C)C)cc2)C1 ZINC000053031311 173382185 /nfs/dbraw/zinc/38/21/85/173382185.db2.gz YFHBNZOGPYXGPL-GFCCVEGCSA-N 1 0 233.359 1.798 10 0 BDAERO C[NH2+]C[C@H]1CN(CCc2ccccc2)CCO1 ZINC000071544653 173382415 /nfs/dbraw/zinc/38/24/15/173382415.db2.gz JRKBBPJSEVLWAB-AWEZNQCLSA-N 1 0 234.343 1.149 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc(OC)c(OC)c1 ZINC000011803616 173383181 /nfs/dbraw/zinc/38/31/81/173383181.db2.gz MJEFTFOWJTVVKG-LBPRGKRZSA-N 1 0 225.288 1.131 10 0 BDAERO C[NH2+]C[C@](C)(O)Cc1ccc(OC)c(OC)c1 ZINC000019684557 173383323 /nfs/dbraw/zinc/38/33/23/173383323.db2.gz BFWBKFGJCYFTDD-CYBMUJFWSA-N 1 0 239.315 1.217 10 0 BDAERO C[NH2+]Cc1c(C)nc(-c2cccnc2)nc1C ZINC000054854040 173384003 /nfs/dbraw/zinc/38/40/03/173384003.db2.gz PPWUBZNKCMMPIR-UHFFFAOYSA-N 1 0 228.299 1.875 10 0 BDAERO C[NH2+]Cc1c(C)nn(CCCn2ccnc2)c1C ZINC000049328883 173384815 /nfs/dbraw/zinc/38/48/15/173384815.db2.gz ZFSWVTOOBTZNQP-UHFFFAOYSA-N 1 0 247.346 1.506 10 0 BDAERO C[NH2+]Cc1cc(C)nc(-c2ccccn2)n1 ZINC000054830891 173386047 /nfs/dbraw/zinc/38/60/47/173386047.db2.gz ACBXGDKKVQHLBA-UHFFFAOYSA-N 1 0 214.272 1.566 10 0 BDAERO C[NH2+]Cc1cc(-n2cc(C)cn2)ccn1 ZINC000051492183 173386292 /nfs/dbraw/zinc/38/62/92/173386292.db2.gz SPDVQEGDEVMLDU-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1cc(CN2CCOC[C@@H]2C)oc1C ZINC000052475801 173386849 /nfs/dbraw/zinc/38/68/49/173386849.db2.gz FGCZMKXHDKOTKK-JTQLQIEISA-N 1 0 238.331 1.528 10 0 BDAERO C[NH2+]Cc1ccc(OCC(=O)NC2CC2)cc1 ZINC000034657542 173388819 /nfs/dbraw/zinc/38/88/19/173388819.db2.gz BFGWLQKLQCUUJE-UHFFFAOYSA-N 1 0 234.299 1.063 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)c2cc(C)no2)c1 ZINC000036282338 173389887 /nfs/dbraw/zinc/38/98/87/173389887.db2.gz UOJGKZBYOUYDLJ-UHFFFAOYSA-N 1 0 245.282 1.955 10 0 BDAERO CNC(=O)[C@@H]1CCCN1c1ccccc1C[NH2+]C ZINC000042395710 173390727 /nfs/dbraw/zinc/39/07/27/173390727.db2.gz UMMUIMBREXUBHA-ZDUSSCGKSA-N 1 0 247.342 1.121 10 0 BDAERO C[NH2+]Cc1ccccc1O[C@@H]1CCOC1=O ZINC000037702432 173390836 /nfs/dbraw/zinc/39/08/36/173390836.db2.gz FOGGPIYWJPROHS-LLVKDONJSA-N 1 0 221.256 1.100 10 0 BDAERO C[NH2+]Cc1cn(C)c2cccc(OC)c12 ZINC000083284956 173391374 /nfs/dbraw/zinc/39/13/74/173391374.db2.gz UATJSQJGWZCGRB-UHFFFAOYSA-N 1 0 204.273 1.906 10 0 BDAERO C[NH2+]Cc1cccnc1Oc1cccnc1 ZINC000051544346 173391734 /nfs/dbraw/zinc/39/17/34/173391734.db2.gz CMAVQZDYHNOREC-UHFFFAOYSA-N 1 0 215.256 1.988 10 0 BDAERO C[NH2+]Cc1cccnc1N1CC[C@H](C)C1 ZINC000051448264 173391905 /nfs/dbraw/zinc/39/19/05/173391905.db2.gz OLFINTZEBVGWAM-JTQLQIEISA-N 1 0 205.305 1.647 10 0 BDAERO C[NH2+]Cc1cnc(-c2cccnc2)s1 ZINC000041043797 173392410 /nfs/dbraw/zinc/39/24/10/173392410.db2.gz ZHJGXBQBIJTLQQ-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000054900481 173392462 /nfs/dbraw/zinc/39/24/62/173392462.db2.gz UYJKVTTTXGOEKO-IUCAKERBSA-N 1 0 241.360 1.476 10 0 BDAERO C[NH2+]Cc1csc(Cc2ccncc2)n1 ZINC000053136601 173393203 /nfs/dbraw/zinc/39/32/03/173393203.db2.gz KENLTGUWCRCINU-UHFFFAOYSA-N 1 0 219.313 1.848 10 0 BDAERO C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000035054487 173393590 /nfs/dbraw/zinc/39/35/90/173393590.db2.gz KRBOYNCUIMJWPY-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1nc(C(C)C)ncc1-n1ccnc1C ZINC000051491186 173394823 /nfs/dbraw/zinc/39/48/23/173394823.db2.gz PKGRUYKXYOWGBU-UHFFFAOYSA-N 1 0 245.330 1.814 10 0 BDAERO C[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000036922913 173395670 /nfs/dbraw/zinc/39/56/70/173395670.db2.gz NBPDWOIKUSJFBV-UHFFFAOYSA-N 1 0 223.301 1.321 10 0 BDAERO C[NH2+]Cc1nc(-c2c(C)nn(C)c2C)c[nH]1 ZINC000045169376 173397713 /nfs/dbraw/zinc/39/77/13/173397713.db2.gz NKNRGWDJRKPOPF-UHFFFAOYSA-N 1 0 219.292 1.146 10 0 BDAERO C[NH2+]Cc1nn2c(nnc2C(C)C)s1 ZINC000082533561 173397793 /nfs/dbraw/zinc/39/77/93/173397793.db2.gz VZXWFEZLGQJACP-UHFFFAOYSA-N 1 0 211.294 1.029 10 0 BDAERO C[NH2+]Cc1nccn1Cc1cc(C)ccc1OC ZINC000051004465 173398109 /nfs/dbraw/zinc/39/81/09/173398109.db2.gz HZNWRGOAOSYIGT-UHFFFAOYSA-N 1 0 245.326 1.968 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc(C)c(Cl)c1 ZINC000054744711 173398363 /nfs/dbraw/zinc/39/83/63/173398363.db2.gz NAXIOYYSTBITBS-UHFFFAOYSA-N 1 0 237.694 1.344 10 0 BDAERO C[NH2+]Cc1nnnn1C[C@H]1CCCC[C@@H]1C ZINC000054746987 173399070 /nfs/dbraw/zinc/39/90/70/173399070.db2.gz VQQNYCCSUSICSA-VHSXEESVSA-N 1 0 223.324 1.219 10 0 BDAERO C[NH2+]Cc1occc1CN1CCOC[C@H]1C ZINC000052475852 173399411 /nfs/dbraw/zinc/39/94/11/173399411.db2.gz XBJNDQYDDBLPFM-SNVBAGLBSA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+]Cc1occc1Cn1cnc(C)c1C ZINC000052593508 173399994 /nfs/dbraw/zinc/39/99/94/173399994.db2.gz ZGFWFKADNFIBDO-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000054075369 173412861 /nfs/dbraw/zinc/41/28/61/173412861.db2.gz PFVZLHDHMLOXGV-GXSJLCMTSA-N 1 0 221.304 1.286 10 0 BDAERO C[NH2+][C@@H](C)[C@@H](O)c1cc(C)ccc1OC ZINC000039105752 173417017 /nfs/dbraw/zinc/41/70/17/173417017.db2.gz HLADHGQSXAVFBF-JOYOIKCWSA-N 1 0 209.289 1.645 10 0 BDAERO C[NH2+][C@@H](C)c1ccccc1N1CC[C@H](O)C1 ZINC000061710660 173419983 /nfs/dbraw/zinc/41/99/83/173419983.db2.gz UMIXUHXPXGWEPK-QWRGUYRKSA-N 1 0 220.316 1.538 10 0 BDAERO C[NH2+][C@@H](C)c1ccccc1N(CCO)C1CC1 ZINC000042479895 173420075 /nfs/dbraw/zinc/42/00/75/173420075.db2.gz HEWYYEOZFMFAKC-NSHDSACASA-N 1 0 234.343 1.928 10 0 BDAERO C[NH2+][C@@H]1CCC[S@@](=O)c2c(OC)cccc21 ZINC000041031298 173434592 /nfs/dbraw/zinc/43/45/92/173434592.db2.gz HHBFTOSONKAIKQ-HWPZZCPQSA-N 1 0 239.340 1.857 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1Cc1ccccc1F ZINC000095075934 173437311 /nfs/dbraw/zinc/43/73/11/173437311.db2.gz FJIPUOKCBTZAPA-WCQYABFASA-N 1 0 223.291 1.993 10 0 BDAERO C[NH2+][C@H](C)c1ccccc1N1CCNC(=O)CC1 ZINC000062101091 173449239 /nfs/dbraw/zinc/44/92/39/173449239.db2.gz HZHCXXAEMFSTPZ-LLVKDONJSA-N 1 0 247.342 1.293 10 0 BDAERO C[NH2+][C@H]1CCC[S@@](=O)c2ccc(F)cc21 ZINC000040974209 173463264 /nfs/dbraw/zinc/46/32/64/173463264.db2.gz VIYARFDUWSSDLX-BONVTDFDSA-N 1 0 227.304 1.988 10 0 BDAERO C[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000037241503 173466978 /nfs/dbraw/zinc/46/69/78/173466978.db2.gz WAZDKFZAXMCMBF-VIFPVBQESA-N 1 0 212.243 1.763 10 0 BDAERO CNc1ccc(C(=O)N(C)[C@H](C)C[NH3+])s1 ZINC000261559718 173476245 /nfs/dbraw/zinc/47/62/45/173476245.db2.gz ZGTURIVKJYQYKZ-SSDOTTSWSA-N 1 0 227.333 1.209 10 0 BDAERO CNc1nc2ccccc2nc1N1CC[C@@H]([NH3+])C1 ZINC000095071359 173487837 /nfs/dbraw/zinc/48/78/37/173487837.db2.gz UYXWZHMZKKPDAL-SECBINFHSA-N 1 0 243.314 1.209 10 0 BDAERO COC(=O)CCSCC1CC[NH2+]CC1 ZINC000043498217 173565640 /nfs/dbraw/zinc/56/56/40/173565640.db2.gz ZXSBEBSNQGQOHB-UHFFFAOYSA-N 1 0 217.334 1.282 10 0 BDAERO COC(=O)C[C@@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000074480266 173625018 /nfs/dbraw/zinc/62/50/18/173625018.db2.gz AGUHKFHVEXUODR-JTQLQIEISA-N 1 0 227.691 1.773 10 0 BDAERO COC(=O)[C@@H](NCC[NH+](C)C)C1CCCCC1 ZINC000037964841 173709876 /nfs/dbraw/zinc/70/98/76/173709876.db2.gz JQGPWZSHPBIBKH-LBPRGKRZSA-N 1 0 242.363 1.260 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1OC ZINC000008699293 173823125 /nfs/dbraw/zinc/82/31/25/173823125.db2.gz MWUXRQCQIMGGAO-QWRGUYRKSA-N 1 0 235.283 1.171 10 0 BDAERO COC(=O)[C@](C)(CCC(C)C)N1CC[NH2+]CC1 ZINC000037963614 173831239 /nfs/dbraw/zinc/83/12/39/173831239.db2.gz KRPCGFHGFKROKT-ZDUSSCGKSA-N 1 0 242.363 1.260 10 0 BDAERO COC(=O)c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038040815 173882820 /nfs/dbraw/zinc/88/28/20/173882820.db2.gz AWCPZODCXJJAFS-UHFFFAOYSA-N 1 0 234.299 1.637 10 0 BDAERO COC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000020524457 173946334 /nfs/dbraw/zinc/94/63/34/173946334.db2.gz JUMXISKHDBILFF-MNOVXSKESA-N 1 0 215.337 1.959 10 0 BDAERO COC1CC[NH+]([C@@](C)(CN)C(C)C)CC1 ZINC000041053629 174030308 /nfs/dbraw/zinc/03/03/08/174030308.db2.gz XGLYCOAUZYMPCI-LBPRGKRZSA-N 1 0 214.353 1.471 10 0 BDAERO COC1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061590027 174031859 /nfs/dbraw/zinc/03/18/59/174031859.db2.gz XXYMZUOWXLNSMJ-LBPRGKRZSA-N 1 0 244.404 1.322 10 0 BDAERO COCC(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000022219425 174060204 /nfs/dbraw/zinc/06/02/04/174060204.db2.gz PNIQGTQJVZHOSB-MRVPVSSYSA-N 1 0 208.261 1.291 10 0 BDAERO COCC1(C[N@@H+]2CCC[C@@H]2C(=O)OC)CCC1 ZINC000310557950 174097156 /nfs/dbraw/zinc/09/71/56/174097156.db2.gz ZGGLFEJVDRJGSI-LLVKDONJSA-N 1 0 241.331 1.441 10 0 BDAERO COCCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000103225464 174180302 /nfs/dbraw/zinc/18/03/02/174180302.db2.gz YWUOXOOAVQLVSB-RYUDHWBXSA-N 1 0 215.337 1.912 10 0 BDAERO COCCCN(C)C(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000062034705 174213237 /nfs/dbraw/zinc/21/32/37/174213237.db2.gz XAVHKSPVYGTQMJ-SDDRHHMPSA-N 1 0 242.363 1.245 10 0 BDAERO COCCC[NH2+][C@@H](C)CC(C)(C)OC ZINC000034963717 174249380 /nfs/dbraw/zinc/24/93/80/174249380.db2.gz VFINEQANTSZXPS-JTQLQIEISA-N 1 0 203.326 1.816 10 0 BDAERO COCCC[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000036922849 174250660 /nfs/dbraw/zinc/25/06/60/174250660.db2.gz SWUGFMDEVKQJJP-LLVKDONJSA-N 1 0 236.315 1.640 10 0 BDAERO COCCN(C(=O)C[NH2+]C(C)C)[C@H](C)C1CC1 ZINC000037814778 174268617 /nfs/dbraw/zinc/26/86/17/174268617.db2.gz HHDOYILHZXLMCS-LLVKDONJSA-N 1 0 242.363 1.258 10 0 BDAERO COCCN(C(=O)[C@H]([NH3+])C(C)C)[C@@H](C)C1CC1 ZINC000037814708 174269328 /nfs/dbraw/zinc/26/93/28/174269328.db2.gz AHCLMTVMPVDPIC-CMPLNLGQSA-N 1 0 242.363 1.243 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050578868 174283777 /nfs/dbraw/zinc/28/37/77/174283777.db2.gz CBDLZOKRFDTZHR-CYBMUJFWSA-N 1 0 240.322 1.712 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000041280497 174283994 /nfs/dbraw/zinc/28/39/94/174283994.db2.gz XMEWYRLRJWZQLX-CYBMUJFWSA-N 1 0 238.331 1.273 10 0 BDAERO COCCN(C)c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000054898345 174284304 /nfs/dbraw/zinc/28/43/04/174284304.db2.gz DTIZQYTYLZEGBK-QMMMGPOBSA-N 1 0 241.360 1.562 10 0 BDAERO COCC[N@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000164587607 174293459 /nfs/dbraw/zinc/29/34/59/174293459.db2.gz AQMNMUNZQZYKRX-ZDUSSCGKSA-N 1 0 235.327 1.267 10 0 BDAERO COCCN(c1ccc(N)cn1)[C@H](C)COC ZINC000042602751 174302755 /nfs/dbraw/zinc/30/27/55/174302755.db2.gz AZWMYURJSPVKGB-SNVBAGLBSA-N 1 0 239.319 1.152 10 0 BDAERO COCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114202526 174305525 /nfs/dbraw/zinc/30/55/25/174305525.db2.gz DSSDNNHJAWXKHT-LLVKDONJSA-N 1 0 209.293 1.583 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1ccc2c(c1)CCCC2 ZINC000049837354 174334358 /nfs/dbraw/zinc/33/43/58/174334358.db2.gz RCBRTFOHTXGMGK-OAHLLOKOSA-N 1 0 249.354 1.835 10 0 BDAERO COCC[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000032012197 174334521 /nfs/dbraw/zinc/33/45/21/174334521.db2.gz KKVKZKNPHYOOFK-LBPRGKRZSA-N 1 0 209.289 1.264 10 0 BDAERO COCC[NH2+]C[C@H](O)c1c(C)cc(C)cc1C ZINC000049828918 174334972 /nfs/dbraw/zinc/33/49/72/174334972.db2.gz DDBZMKRLXHCFFG-ZDUSSCGKSA-N 1 0 237.343 1.881 10 0 BDAERO COCC[NH2+]Cc1ccccc1OC[C@@H](C)O ZINC000062729582 174335406 /nfs/dbraw/zinc/33/54/06/174335406.db2.gz IJRAWMUPBSKVCB-LLVKDONJSA-N 1 0 239.315 1.182 10 0 BDAERO COCC[NH2+][C@@H](C(N)=O)c1ccc(C)cc1C ZINC000053256889 174336601 /nfs/dbraw/zinc/33/66/01/174336601.db2.gz FKEUTOBMLVSEDY-GFCCVEGCSA-N 1 0 236.315 1.066 10 0 BDAERO COCC[NH2+][C@@](C)(CO)c1cccc(OC)c1 ZINC000053292484 174338928 /nfs/dbraw/zinc/33/89/28/174338928.db2.gz VGZHSLYZHICBBL-ZDUSSCGKSA-N 1 0 239.315 1.139 10 0 BDAERO COCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128051418 174340075 /nfs/dbraw/zinc/34/00/75/174340075.db2.gz UJORCMRKYFIWNB-NWDGAFQWSA-N 1 0 223.320 1.603 10 0 BDAERO COCCOCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309984299 174359586 /nfs/dbraw/zinc/35/95/86/174359586.db2.gz XOYCCZOUBWTDJW-RYUDHWBXSA-N 1 0 233.327 1.767 10 0 BDAERO COCCOCc1cc(C[NH3+])ccc1F ZINC000019407331 174364642 /nfs/dbraw/zinc/36/46/42/174364642.db2.gz RQCSTLSZIFOSGG-UHFFFAOYSA-N 1 0 213.252 1.447 10 0 BDAERO COCCO[C@@H]1CC[C@H](C(F)(F)F)C[C@@H]1[NH3+] ZINC000020282261 174365259 /nfs/dbraw/zinc/36/52/59/174365259.db2.gz BTHKLTHNADHFKV-XHNCKOQMSA-N 1 0 241.253 1.708 10 0 BDAERO COCCO[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000020262751 174365312 /nfs/dbraw/zinc/36/53/12/174365312.db2.gz OQDPPJCZIMDAOT-OLZOCXBDSA-N 1 0 221.300 1.664 10 0 BDAERO COCC[C@@H]([NH3+])c1nc2c(cccc2C)[nH]1 ZINC000052785287 174392455 /nfs/dbraw/zinc/39/24/55/174392455.db2.gz CFXDCSGEMGFATF-SECBINFHSA-N 1 0 219.288 1.908 10 0 BDAERO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C ZINC000309982178 174396673 /nfs/dbraw/zinc/39/66/73/174396673.db2.gz WPSPUGTXBVVSBZ-RVMXOQNASA-N 1 0 227.348 1.959 10 0 BDAERO COC[C@@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019423637 174454831 /nfs/dbraw/zinc/45/48/31/174454831.db2.gz ZIUPJLFEFLQFKA-NOOOWODRSA-N 1 0 240.347 1.058 10 0 BDAERO CO[C@@H]1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1 ZINC000095347497 174762277 /nfs/dbraw/zinc/76/22/77/174762277.db2.gz XPNGYPONHJYIPU-VHSXEESVSA-N 1 0 244.335 1.278 10 0 BDAERO CO[C@H](C)CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186547570 174808717 /nfs/dbraw/zinc/80/87/17/174808717.db2.gz SAJIPIVMEIXNJH-MNOVXSKESA-N 1 0 240.347 1.154 10 0 BDAERO COc1c(OC2CC2)cc[nH+]c1N(C)C ZINC000095730398 174935381 /nfs/dbraw/zinc/93/53/81/174935381.db2.gz NXGJJTJBHOMLQQ-UHFFFAOYSA-N 1 0 208.261 1.697 10 0 BDAERO COc1cc(F)ccc1NC[C@@H](O)C[NH+](C)C ZINC000049566897 174994782 /nfs/dbraw/zinc/99/47/82/174994782.db2.gz HIRSNPUOTGNWKY-SNVBAGLBSA-N 1 0 242.294 1.169 10 0 BDAERO COc1cc(OC)c(CC2C[NH2+]C2)c(OC)c1 ZINC000037376510 175007386 /nfs/dbraw/zinc/00/73/86/175007386.db2.gz KXAZLIZBKSDPQE-UHFFFAOYSA-N 1 0 237.299 1.474 10 0 BDAERO COc1cc(OC)c([C@@H]2C[C@@H]2C[NH3+])cc1OC ZINC000054586827 175008088 /nfs/dbraw/zinc/00/80/88/175008088.db2.gz FGOCTTJENQYEJA-RKDXNWHRSA-N 1 0 237.299 1.775 10 0 BDAERO COc1cc2c(ccn2CC[NH3+])c(OC)c1 ZINC000059731355 175009407 /nfs/dbraw/zinc/00/94/07/175009407.db2.gz DQAMFBSJUKMEIZ-UHFFFAOYSA-N 1 0 220.272 1.617 10 0 BDAERO COc1cc([C@@H]2CCC[NH2+]2)cc(OC)c1O ZINC000004234807 175015308 /nfs/dbraw/zinc/01/53/08/175015308.db2.gz FOFBIMFXGCLHQG-VIFPVBQESA-N 1 0 223.272 1.834 10 0 BDAERO COc1cc2c(c(OC)c1)CC[C@@H]([NH3+])C2 ZINC000057938579 175019734 /nfs/dbraw/zinc/01/97/34/175019734.db2.gz FYLALVXQAHKDPE-SECBINFHSA-N 1 0 207.273 1.520 10 0 BDAERO COc1cc2c(c(OC)c1OC)[C@H]([NH3+])CC2 ZINC000019727503 175020549 /nfs/dbraw/zinc/02/05/49/175020549.db2.gz KAEQMRZYODHGKN-MRVPVSSYSA-N 1 0 223.272 1.658 10 0 BDAERO COc1cc2c(cc1OC)C[C@](C)([NH3+])CC2 ZINC000039110375 175024901 /nfs/dbraw/zinc/02/49/01/175024901.db2.gz YACRRJWOGCMEJS-CYBMUJFWSA-N 1 0 221.300 1.910 10 0 BDAERO COc1ccc(-c2cc(C[NH3+])n(C)n2)cc1 ZINC000009280255 175031454 /nfs/dbraw/zinc/03/14/54/175031454.db2.gz DMGBKUIMJALXIC-UHFFFAOYSA-N 1 0 217.272 1.554 10 0 BDAERO COc1ccc(-c2cn3c(n2)CC[C@H]([NH3+])C3)cc1 ZINC000079776643 175035537 /nfs/dbraw/zinc/03/55/37/175035537.db2.gz WOZVMKDJPAJNQV-NSHDSACASA-N 1 0 243.310 1.832 10 0 BDAERO COc1ccc(-n2cc(C[NH3+])cn2)cc1 ZINC000062986669 175043804 /nfs/dbraw/zinc/04/38/04/175043804.db2.gz RDCNLDRRODHCFZ-UHFFFAOYSA-N 1 0 203.245 1.340 10 0 BDAERO COc1ccc(C(=O)CN2CCC([NH3+])CC2)cc1 ZINC000050158342 175053526 /nfs/dbraw/zinc/05/35/26/175053526.db2.gz UOULMVQZIDKZJF-UHFFFAOYSA-N 1 0 248.326 1.301 10 0 BDAERO COc1ccc(C(=O)[C@@H](C)[NH3+])c(Cl)c1 ZINC000071518888 175065316 /nfs/dbraw/zinc/06/53/16/175065316.db2.gz MDKMFKLSELZXDU-ZCFIWIBFSA-N 1 0 213.664 1.879 10 0 BDAERO COc1ccc(C)cc1COC(=O)CC[NH3+] ZINC000049819259 175075837 /nfs/dbraw/zinc/07/58/37/175075837.db2.gz MDWTYXWRGZIYRL-UHFFFAOYSA-N 1 0 223.272 1.396 10 0 BDAERO COc1ccc(C)cc1NC(=O)C[C@H](C)C[NH3+] ZINC000076619105 175077670 /nfs/dbraw/zinc/07/76/70/175077670.db2.gz NYJWNKZKWKWVQK-JTQLQIEISA-N 1 0 236.315 1.927 10 0 BDAERO COc1ccc(C)cc1SC[C@H](O)CC[NH3+] ZINC000019687090 175079551 /nfs/dbraw/zinc/07/95/51/175079551.db2.gz KHZXMUCHIMOKMD-SNVBAGLBSA-N 1 0 241.356 1.805 10 0 BDAERO COc1ccc(C)cc1[C@]1(C)OC[C@H](C[NH3+])O1 ZINC000049828749 175082822 /nfs/dbraw/zinc/08/28/22/175082822.db2.gz ZHKSPUAZPIHIAB-GXFFZTMASA-N 1 0 237.299 1.550 10 0 BDAERO COc1ccc(C2([NH3+])CCOCC2)c(OC)c1 ZINC000063077095 175084583 /nfs/dbraw/zinc/08/45/83/175084583.db2.gz ZUODJAGPWHQBBK-UHFFFAOYSA-N 1 0 237.299 1.668 10 0 BDAERO COc1ccc(CC(C)(C)[NH3+])cc1OC ZINC000016786922 175087949 /nfs/dbraw/zinc/08/79/49/175087949.db2.gz UIXPXCDXVZZQDQ-UHFFFAOYSA-N 1 0 209.289 1.984 10 0 BDAERO COc1ccc(CCC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000071536974 175088571 /nfs/dbraw/zinc/08/85/71/175088571.db2.gz NTUGOAGLFJMZGX-ZDUSSCGKSA-N 1 0 233.311 1.949 10 0 BDAERO COc1ccc(CCN(C)CC[NH3+])c(Cl)c1 ZINC000077391723 175089565 /nfs/dbraw/zinc/08/95/65/175089565.db2.gz ISACDTMDONMLAD-UHFFFAOYSA-N 1 0 242.750 1.782 10 0 BDAERO COc1ccc(CCN(C)CC[NH3+])cc1Cl ZINC000077391715 175089952 /nfs/dbraw/zinc/08/99/52/175089952.db2.gz ZGOZWOZMQNFWAB-UHFFFAOYSA-N 1 0 242.750 1.782 10 0 BDAERO COc1ccc(CC[NH2+]C[C@@H](C)O)cc1Cl ZINC000098126735 175091675 /nfs/dbraw/zinc/09/16/75/175091675.db2.gz RBEHILZPCUCABR-SECBINFHSA-N 1 0 243.734 1.862 10 0 BDAERO COc1ccc(CCOCC[NH3+])cc1Cl ZINC000057953390 175092464 /nfs/dbraw/zinc/09/24/64/175092464.db2.gz LEICMJXZMWPFRY-UHFFFAOYSA-N 1 0 229.707 1.866 10 0 BDAERO COc1ccc(COCC(C)(C)[NH3+])cc1OC ZINC000074532271 175113423 /nfs/dbraw/zinc/11/34/23/175113423.db2.gz QSOMWAZMQBZQBC-UHFFFAOYSA-N 1 0 239.315 1.958 10 0 BDAERO COc1ccc(COC(=O)CC[NH3+])c(Cl)c1 ZINC000077394879 175113661 /nfs/dbraw/zinc/11/36/61/175113661.db2.gz SSNKUOBVQKFMCN-UHFFFAOYSA-N 1 0 243.690 1.741 10 0 BDAERO COc1ccc(CO[C@@H]2C[NH2+]CCO2)cc1 ZINC000033610072 175114592 /nfs/dbraw/zinc/11/45/92/175114592.db2.gz DKATYPREMZBVTG-GFCCVEGCSA-N 1 0 223.272 1.158 10 0 BDAERO COc1ccc(C[C@@](C)(O)C[NH3+])cc1F ZINC000071518722 175116478 /nfs/dbraw/zinc/11/64/78/175116478.db2.gz UOQBBUDNFMFODE-LLVKDONJSA-N 1 0 213.252 1.087 10 0 BDAERO COc1ccc(C[C@H]([NH3+])CN(C)C)c(OC)c1 ZINC000071548926 175117315 /nfs/dbraw/zinc/11/73/15/175117315.db2.gz QSJPUSVWNOEMNK-NSHDSACASA-N 1 0 238.331 1.135 10 0 BDAERO COc1ccc(Cl)c(NC(=O)CC[NH3+])c1 ZINC000043318550 175118369 /nfs/dbraw/zinc/11/83/69/175118369.db2.gz HSGUIFPUHJOCGY-UHFFFAOYSA-N 1 0 228.679 1.636 10 0 BDAERO COc1ccc(Cl)cc1N1CC[C@@H]([NH3+])C1=O ZINC000049648382 175121254 /nfs/dbraw/zinc/12/12/54/175121254.db2.gz CLFOZMZKAGCYQI-MRVPVSSYSA-N 1 0 240.690 1.413 10 0 BDAERO COc1ccc(Cl)cc1C[C@](C)(O)C[NH3+] ZINC000071534339 175121340 /nfs/dbraw/zinc/12/13/40/175121340.db2.gz UDMIYPWTALGXQF-NSHDSACASA-N 1 0 229.707 1.601 10 0 BDAERO COc1ccc(Cl)cc1[C@@H]1C[NH2+]CO1 ZINC000082533883 175122261 /nfs/dbraw/zinc/12/22/61/175122261.db2.gz RQNQINIRGPAGFG-JTQLQIEISA-N 1 0 213.664 1.967 10 0 BDAERO COc1ccc(F)cc1[C@H](O)[C@@H]1CCC[NH2+]1 ZINC000036161659 175134098 /nfs/dbraw/zinc/13/40/98/175134098.db2.gz PLLDIDVEVYWLCJ-JQWIXIFHSA-N 1 0 225.263 1.620 10 0 BDAERO COc1ccc([C@@](C)(O)C[NH3+])c(Cl)c1 ZINC000071519513 175186641 /nfs/dbraw/zinc/18/66/41/175186641.db2.gz RKAYDKBSDQKJEX-JTQLQIEISA-N 1 0 215.680 1.515 10 0 BDAERO COc1ccc(N2C[C@@H]([NH3+])CC2=O)c(C)c1 ZINC000061568820 175139406 /nfs/dbraw/zinc/13/94/06/175139406.db2.gz UJLQPNGKNBEKSL-VIFPVBQESA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(NC(=O)C2(C[NH3+])CC2)cc1 ZINC000077330481 175140769 /nfs/dbraw/zinc/14/07/69/175140769.db2.gz YAWSFKCIIUCDRL-UHFFFAOYSA-N 1 0 220.272 1.373 10 0 BDAERO COc1ccc(NCCC[NH+]2CCCC2)cn1 ZINC000049332198 175150422 /nfs/dbraw/zinc/15/04/22/175150422.db2.gz GZTMSTNKXAYELE-UHFFFAOYSA-N 1 0 235.331 1.988 10 0 BDAERO COc1ccc(OC)c(-c2c[nH]c(CC[NH3+])n2)c1 ZINC000036876290 175162665 /nfs/dbraw/zinc/16/26/65/175162665.db2.gz BYEBWBDLTXBOMT-UHFFFAOYSA-N 1 0 247.298 1.595 10 0 BDAERO COc1ccc(OC)c(CCCC[NH3+])c1 ZINC000011596988 175165074 /nfs/dbraw/zinc/16/50/74/175165074.db2.gz UJMSOMDJTUJPRZ-UHFFFAOYSA-N 1 0 209.289 1.985 10 0 BDAERO COc1ccc(OC)c([C@@H](C)OCC[NH3+])c1 ZINC000071532262 175166838 /nfs/dbraw/zinc/16/68/38/175166838.db2.gz XWXIAYMHHOMFRW-SECBINFHSA-N 1 0 225.288 1.740 10 0 BDAERO COc1ccc(OC)c([C@H]([NH3+])[C@@H](C)O)c1 ZINC000041225497 175168640 /nfs/dbraw/zinc/16/86/40/175168640.db2.gz QSYILIJZAXMABN-RDDDGLTNSA-N 1 0 211.261 1.084 10 0 BDAERO COc1ccc(OC)c([C@](C)([NH3+])CCO)c1 ZINC000082540093 175169627 /nfs/dbraw/zinc/16/96/27/175169627.db2.gz GHPMZVZMHUIRDK-GFCCVEGCSA-N 1 0 225.288 1.260 10 0 BDAERO COc1ccc(OC)c2c1C[C@@H]1C[NH2+]CCN1C2 ZINC000097758527 175170612 /nfs/dbraw/zinc/17/06/12/175170612.db2.gz XELGUZLQXSBVKI-SNVBAGLBSA-N 1 0 248.326 1.034 10 0 BDAERO COc1ccc(OC)c2c1CC[NH2+][C@@H]2C ZINC000019626235 175170851 /nfs/dbraw/zinc/17/08/51/175170851.db2.gz JVPBCCHBTQZAKW-MRVPVSSYSA-N 1 0 207.273 1.911 10 0 BDAERO COc1ccc([C@@H](C[NH3+])N2CCCC2)cc1F ZINC000071548851 175178330 /nfs/dbraw/zinc/17/83/30/175178330.db2.gz MQYCFHVSCWKORF-GFCCVEGCSA-N 1 0 238.306 1.930 10 0 BDAERO COc1ccc([C@@H](C[NH3+])N(C)C)cc1F ZINC000071518530 175178456 /nfs/dbraw/zinc/17/84/56/175178456.db2.gz VCQZQQFFIDVTTJ-SNVBAGLBSA-N 1 0 212.268 1.396 10 0 BDAERO COc1ccc([C@@H](O)CC[NH+](C)C)cc1OC ZINC000006177193 175180629 /nfs/dbraw/zinc/18/06/29/175180629.db2.gz JMZIJYJBXXAXME-NSHDSACASA-N 1 0 239.315 1.689 10 0 BDAERO COc1ccc([C@@H](O)C(C)(C)[NH3+])cc1O ZINC000019684289 175180720 /nfs/dbraw/zinc/18/07/20/175180720.db2.gz IIDSODZUXZMTIO-SNVBAGLBSA-N 1 0 211.261 1.172 10 0 BDAERO COc1ccc([C@H](O)CC[NH+](C)C)cc1OC ZINC000006177203 175193387 /nfs/dbraw/zinc/19/33/87/175193387.db2.gz JMZIJYJBXXAXME-LLVKDONJSA-N 1 0 239.315 1.689 10 0 BDAERO COc1ccc([C@H](O)C(C)(C)[NH3+])cc1OC ZINC000019684263 175193453 /nfs/dbraw/zinc/19/34/53/175193453.db2.gz FUYJHJQZJJAHCL-NSHDSACASA-N 1 0 225.288 1.475 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCN2)cc1F ZINC000041224821 175195572 /nfs/dbraw/zinc/19/55/72/175195572.db2.gz SMAPYTNJPCWDQP-SNVBAGLBSA-N 1 0 210.252 1.068 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCN2)cc1C ZINC000041215209 175195596 /nfs/dbraw/zinc/19/55/96/175195596.db2.gz XHHNXLMAMSKEKF-LLVKDONJSA-N 1 0 206.289 1.238 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCN2C)cc1 ZINC000020268290 175195644 /nfs/dbraw/zinc/19/56/44/175195644.db2.gz OAUORYZPTXUCIA-GFCCVEGCSA-N 1 0 206.289 1.271 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C)O2)cc1F ZINC000036673346 175196887 /nfs/dbraw/zinc/19/68/87/175196887.db2.gz IEEFFDPQSXXIDG-PRHODGIISA-N 1 0 225.263 1.884 10 0 BDAERO COc1ccc2c(c1)CC[NH2+][C@@H]2c1cnn(C)c1 ZINC000083665995 175208973 /nfs/dbraw/zinc/20/89/73/175208973.db2.gz IHWGFGFAGHEAGU-CQSZACIVSA-N 1 0 243.310 1.664 10 0 BDAERO COc1ccc2c(c1)CC[C@@H]([C@](C)([NH3+])CO)C2 ZINC000082048704 175209608 /nfs/dbraw/zinc/20/96/08/175209608.db2.gz YCVMPDYGRXBACL-TZMCWYRMSA-N 1 0 235.327 1.510 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])C[C@H](C)S2(=O)=O ZINC000035752280 175214219 /nfs/dbraw/zinc/21/42/19/175214219.db2.gz JSCBVYJVWQPYIY-XVKPBYJWSA-N 1 0 241.312 1.261 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@H](C)CS2(=O)=O ZINC000035755737 175216463 /nfs/dbraw/zinc/21/64/63/175216463.db2.gz BWPLOEXCSADIBN-RDDDGLTNSA-N 1 0 241.312 1.118 10 0 BDAERO COc1ccc2c(c1OC)CCC[C@@]2(O)C[NH3+] ZINC000036156188 175222182 /nfs/dbraw/zinc/22/21/82/175222182.db2.gz VQAPLOLMHKFGHJ-CYBMUJFWSA-N 1 0 237.299 1.186 10 0 BDAERO COc1ccc2c(c1OC)CC[NH2+][C@H]2C ZINC000032232166 175222298 /nfs/dbraw/zinc/22/22/98/175222298.db2.gz SEYRYNQIKPBTNF-QMMMGPOBSA-N 1 0 207.273 1.911 10 0 BDAERO COc1ccc2c(c1OC)C[C@H](C)[NH2+]C2 ZINC000052095250 175223187 /nfs/dbraw/zinc/22/31/87/175223187.db2.gz QKIRWVDNUQDALB-QMMMGPOBSA-N 1 0 207.273 1.738 10 0 BDAERO COc1cccc(CCn2cnc(CC[NH3+])c2)c1 ZINC000098128222 175254021 /nfs/dbraw/zinc/25/40/21/175254021.db2.gz KQZACWSUHNAPEV-UHFFFAOYSA-N 1 0 245.326 1.636 10 0 BDAERO COc1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000089160154 175265939 /nfs/dbraw/zinc/26/59/39/175265939.db2.gz PHMDPNVRCLVMHN-TZMCWYRMSA-N 1 0 235.327 1.946 10 0 BDAERO COc1cccc(C[C@H]2C[NH2+]CCC2=O)c1 ZINC000071521249 175272139 /nfs/dbraw/zinc/27/21/39/175272139.db2.gz ARTDKQSMZASMSY-NSHDSACASA-N 1 0 219.284 1.416 10 0 BDAERO COc1cccc(Oc2nccnc2C[NH3+])c1 ZINC000054378440 175284964 /nfs/dbraw/zinc/28/49/64/175284964.db2.gz MGNUFCXWVJDRKT-UHFFFAOYSA-N 1 0 231.255 1.736 10 0 BDAERO COc1cccc(O[C@H]2CCC[C@H]2[NH3+])c1 ZINC000019262305 175284979 /nfs/dbraw/zinc/28/49/79/175284979.db2.gz RPIWFVMXBVYBGI-NEPJUHHUSA-N 1 0 207.273 1.954 10 0 BDAERO COc1cccc([C@@H](C[NH3+])CC(=O)NC2CC2)c1 ZINC000057537084 175287482 /nfs/dbraw/zinc/28/74/82/175287482.db2.gz SYTRDFSNQMNCLZ-LLVKDONJSA-N 1 0 248.326 1.406 10 0 BDAERO COc1cccc([C@@H]([NH3+])c2cncnc2)c1 ZINC000052886906 175289227 /nfs/dbraw/zinc/28/92/27/175289227.db2.gz OAYIKZBLAITDOD-GFCCVEGCSA-N 1 0 215.256 1.533 10 0 BDAERO COc1cccc([C@H]([NH3+])Cn2ccccc2=O)c1 ZINC000023066144 175294001 /nfs/dbraw/zinc/29/40/01/175294001.db2.gz PUACXFCRBBPDQX-CYBMUJFWSA-N 1 0 244.294 1.557 10 0 BDAERO COc1cccc([C@H](O)[C@H]2CCC[NH2+]2)c1 ZINC000041215810 175295335 /nfs/dbraw/zinc/29/53/35/175295335.db2.gz KORIPTOVWUHPED-NEPJUHHUSA-N 1 0 207.273 1.481 10 0 BDAERO COc1cccc([S@@](=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000083294975 175297518 /nfs/dbraw/zinc/29/75/18/175297518.db2.gz VOGSROIVUQPPPQ-MGPLVRAMSA-N 1 0 239.340 1.555 10 0 BDAERO COc1cccc2c(C)cc(=O)n(C[C@@H](C)[NH3+])c12 ZINC000011849650 175298763 /nfs/dbraw/zinc/29/87/63/175298763.db2.gz OWGOUWRKTBXJIK-SNVBAGLBSA-N 1 0 246.310 1.666 10 0 BDAERO COc1cccc2c1CCC[C@H]([NH3+])[C@H]2O ZINC000008699463 175301246 /nfs/dbraw/zinc/30/12/46/175301246.db2.gz KOADUGGYCOIATC-JQWIXIFHSA-N 1 0 207.273 1.392 10 0 BDAERO COc1cccc2c1C[C@H]1CC[NH2+][C@H]1C2 ZINC000013826555 175303241 /nfs/dbraw/zinc/30/32/41/175303241.db2.gz OBGADVDRELNMHY-PWSUYJOCSA-N 1 0 203.285 1.772 10 0 BDAERO COc1cccc2c1S(=O)(=O)[C@H](C)C[C@H]2[NH3+] ZINC000041030812 175304998 /nfs/dbraw/zinc/30/49/98/175304998.db2.gz PQZYUYIYBLWFED-VXNVDRBHSA-N 1 0 241.312 1.261 10 0 BDAERO COc1cccc2c1S(=O)(=O)[C@H](C)C[C@@H]2[NH3+] ZINC000041030810 175305086 /nfs/dbraw/zinc/30/50/86/175305086.db2.gz PQZYUYIYBLWFED-APPZFPTMSA-N 1 0 241.312 1.261 10 0 BDAERO COc1ccccc1CCN1CC[NH2+]C[C@@H](C)C1 ZINC000071563467 175323004 /nfs/dbraw/zinc/32/30/04/175323004.db2.gz VUHIKFDHCQQZKT-CYBMUJFWSA-N 1 0 248.370 1.779 10 0 BDAERO COc1ccccc1CCn1cnc(CC[NH3+])c1 ZINC000098128221 175324363 /nfs/dbraw/zinc/32/43/63/175324363.db2.gz BKOIJMHVHRPOES-UHFFFAOYSA-N 1 0 245.326 1.636 10 0 BDAERO COc1ccccc1C[C@H](C)N1CC[NH2+]CC1 ZINC000019729175 175332818 /nfs/dbraw/zinc/33/28/18/175332818.db2.gz QJJQIHVTRNBCBC-LBPRGKRZSA-N 1 0 234.343 1.531 10 0 BDAERO COc1ccccc1[C@@H](C[NH3+])n1nc(C)nc1C ZINC000043098853 175345925 /nfs/dbraw/zinc/34/59/25/175345925.db2.gz GYSASBYLRYKQLR-GFCCVEGCSA-N 1 0 246.314 1.452 10 0 BDAERO COc1ccccc1[C@@H](O)[C@H]1CCCC[NH2+]1 ZINC000041237233 175346983 /nfs/dbraw/zinc/34/69/83/175346983.db2.gz QDKOCJAVJNKBJZ-DGCLKSJQSA-N 1 0 221.300 1.871 10 0 BDAERO COc1ccccc1[C@H](C)[NH2+]CCNC(C)=O ZINC000020148813 175350823 /nfs/dbraw/zinc/35/08/23/175350823.db2.gz BUTKGQIHFHQDRO-JTQLQIEISA-N 1 0 236.315 1.482 10 0 BDAERO COc1ccccc1[C@]1(C)C[C@@]1(C[NH3+])CO ZINC000070500100 175356164 /nfs/dbraw/zinc/35/61/64/175356164.db2.gz IGUGYOZOKPAQEH-QWHCGFSZSA-N 1 0 221.300 1.294 10 0 BDAERO COc1ccccc1[C@](O)(C[NH3+])C(F)(F)F ZINC000062784306 175356196 /nfs/dbraw/zinc/35/61/96/175356196.db2.gz ZWTLAJIXEVPCOY-SECBINFHSA-N 1 0 235.205 1.404 10 0 BDAERO C[C@@H](CCNC(=O)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000062117008 175675529 /nfs/dbraw/zinc/67/55/29/175675529.db2.gz FQSHSZZEBZCMDW-GXTWGEPZSA-N 1 0 246.354 1.906 10 0 BDAERO C[C@@H](C[NH3+])NC(=O)c1cccc2ncccc21 ZINC000104212611 175711622 /nfs/dbraw/zinc/71/16/22/175711622.db2.gz IHTMHWKNZSEFQN-VIFPVBQESA-N 1 0 229.283 1.312 10 0 BDAERO C[C@@H](Cc1ccccc1)N1C[C@H]([NH3+])CC1=O ZINC000062190641 175773191 /nfs/dbraw/zinc/77/31/91/175773191.db2.gz DOYFIRAEWFFEJE-CMPLNLGQSA-N 1 0 218.300 1.177 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1csc(C(C)(C)C)n1 ZINC000083298821 175812310 /nfs/dbraw/zinc/81/23/10/175812310.db2.gz KSSYAAZPHNCOMF-SVRRBLITSA-N 1 0 214.334 1.821 10 0 BDAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000020187746 175817492 /nfs/dbraw/zinc/81/74/92/175817492.db2.gz JPYVLYFFXOUPEA-MRVPVSSYSA-N 1 0 240.328 1.147 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1ccc(F)c(F)c1 ZINC000335819404 175845949 /nfs/dbraw/zinc/84/59/49/175845949.db2.gz OSLIXBBLWTUCIP-RDDDGLTNSA-N 1 0 240.253 1.504 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CCCC1 ZINC000180587889 175917961 /nfs/dbraw/zinc/91/79/61/175917961.db2.gz VSLDKLJJRAQIAB-ZYHUDNBSSA-N 1 0 234.347 1.761 10 0 BDAERO C[C@@H](c1ccc(Cl)cc1)N1CC[C@@H]([NH3+])C1=O ZINC000049659931 176014848 /nfs/dbraw/zinc/01/48/48/176014848.db2.gz LHQHPHXOYAPOGY-GZMMTYOYSA-N 1 0 238.718 1.961 10 0 BDAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCC[C@@H]1CO ZINC000042432731 176015626 /nfs/dbraw/zinc/01/56/26/176015626.db2.gz NELJYLLMQGNBJI-GXFFZTMASA-N 1 0 220.316 1.787 10 0 BDAERO C[C@@H](c1cccc(F)c1)N1CC[C@@H]([NH3+])C1=O ZINC000049660049 176017732 /nfs/dbraw/zinc/01/77/32/176017732.db2.gz QXDPOEZXOJTTFU-GZMMTYOYSA-N 1 0 222.263 1.446 10 0 BDAERO C[C@@H](c1ccccc1F)N1CC[C@H]([NH3+])C1=O ZINC000049660016 176025263 /nfs/dbraw/zinc/02/52/63/176025263.db2.gz YYOAJJGFNSXWMD-KWQFWETISA-N 1 0 222.263 1.446 10 0 BDAERO C[C@@H](c1ccccc1Cl)n1nnnc1C[NH3+] ZINC000054747792 176025604 /nfs/dbraw/zinc/02/56/04/176025604.db2.gz RGOULMOXBVWEOQ-ZETCQYMHSA-N 1 0 237.694 1.395 10 0 BDAERO C[C@@H](c1ccccn1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068176 176026320 /nfs/dbraw/zinc/02/63/20/176026320.db2.gz WMEUBVZHNKXEQO-RYUDHWBXSA-N 1 0 219.332 1.826 10 0 BDAERO C[C@@H](c1ccccn1)N1CC[NH2+]C[C@@H](C)C1 ZINC000049662171 176028374 /nfs/dbraw/zinc/02/83/74/176028374.db2.gz QIBUJFNHNLODDR-NEPJUHHUSA-N 1 0 219.332 1.684 10 0 BDAERO C[C@@H](c1ccsc1)N1C[C@@H]([NH3+])CC1=O ZINC000061366668 176036188 /nfs/dbraw/zinc/03/61/88/176036188.db2.gz GMOUFJTXORRXOV-CBAPKCEASA-N 1 0 210.302 1.369 10 0 BDAERO C[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000053925903 176061101 /nfs/dbraw/zinc/06/11/01/176061101.db2.gz GTQNMXJGXRRGNH-CHWSQXEVSA-N 1 0 238.375 1.629 10 0 BDAERO C[C@@H]1CCCCN1C(=O)C1(C[NH3+])CCC1 ZINC000082641465 176067293 /nfs/dbraw/zinc/06/72/93/176067293.db2.gz RORMOFSMTAROLY-SNVBAGLBSA-N 1 0 210.321 1.516 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1CCCNCc1ncccn1 ZINC000054458916 176071169 /nfs/dbraw/zinc/07/11/69/176071169.db2.gz KQNFGBCWMIYPNC-CYBMUJFWSA-N 1 0 248.374 1.831 10 0 BDAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)N1CC[NH2+]CC1 ZINC000042607016 176077280 /nfs/dbraw/zinc/07/72/80/176077280.db2.gz JZMNGTZNTMBRIS-NEPJUHHUSA-N 1 0 239.363 1.522 10 0 BDAERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C(C)(C)[NH3+] ZINC000042288496 176078088 /nfs/dbraw/zinc/07/80/88/176078088.db2.gz OACTXZCYBMTJRU-ZJUUUORDSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@@H]1CCCC[C@@]1([NH3+])C(=O)OCC1CC1 ZINC000041038362 176083292 /nfs/dbraw/zinc/08/32/92/176083292.db2.gz KLLCWXOXELHFMI-SKDRFNHKSA-N 1 0 211.305 1.847 10 0 BDAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)n1cc[n+](C)c1 ZINC000042609593 176085825 /nfs/dbraw/zinc/08/58/25/176085825.db2.gz LQOAICMLWKPYLJ-VXGBXAGGSA-N 1 0 236.339 1.791 10 0 BDAERO C[C@@H]1CCCC[C@]1(CO)[N@@H+]1CCC[NH2+]CC1 ZINC000038117157 176089963 /nfs/dbraw/zinc/08/99/63/176089963.db2.gz LSGWHPNZUDXHFK-CHWSQXEVSA-N 1 0 226.364 1.223 10 0 BDAERO C[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)[C@@H]1C ZINC000050565597 176090893 /nfs/dbraw/zinc/09/08/93/176090893.db2.gz MJXFRUPPRRDJBK-GHMZBOCLSA-N 1 0 224.348 1.905 10 0 BDAERO C[C@@H]1CCCN(C(=O)N2CCC([NH3+])CC2)C1 ZINC000058827483 176092535 /nfs/dbraw/zinc/09/25/35/176092535.db2.gz IZPZSRGIXYXLTN-SNVBAGLBSA-N 1 0 225.336 1.261 10 0 BDAERO C[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291056 176105084 /nfs/dbraw/zinc/10/50/84/176105084.db2.gz CBOFWOFWSMRDSQ-GHMZBOCLSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309923 176106336 /nfs/dbraw/zinc/10/63/36/176106336.db2.gz VJVBWHJUHRHMAM-GMTAPVOTSA-N 1 0 210.321 1.372 10 0 BDAERO C[C@@H]1CCC[C@@H]([NH2+]CCn2ncccc2=O)C1 ZINC000061405119 176123624 /nfs/dbraw/zinc/12/36/24/176123624.db2.gz KYGWCPAAGVCKCI-VXGBXAGGSA-N 1 0 235.331 1.412 10 0 BDAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336772209 176132293 /nfs/dbraw/zinc/13/22/93/176132293.db2.gz XWNMUIUIXJQGEH-CHWFTXMASA-N 1 0 210.321 1.432 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCCO2)[NH2+]1 ZINC000042824935 176135402 /nfs/dbraw/zinc/13/54/02/176135402.db2.gz DWOVQHRHRQPBGH-GRYCIOLGSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@H]1CCC[C@H](S(=O)(=O)CCC[NH3+])C1 ZINC000054688621 176145968 /nfs/dbraw/zinc/14/59/68/176145968.db2.gz MUSSJJFRCUSSKS-ZJUUUORDSA-N 1 0 219.350 1.329 10 0 BDAERO C[C@@H]1CCC[C@](CO)(Nc2[nH+]ccn2C)C1 ZINC000053110772 176151981 /nfs/dbraw/zinc/15/19/81/176151981.db2.gz YBCZEORBOCBPPU-PWSUYJOCSA-N 1 0 223.320 1.773 10 0 BDAERO C[C@@H]1CCN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC000055161955 176154888 /nfs/dbraw/zinc/15/48/88/176154888.db2.gz OEINABGUIOTYPL-VOMCLLRMSA-N 1 0 224.348 1.620 10 0 BDAERO C[C@@H]1CCN(C(=O)NC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000235269432 176157124 /nfs/dbraw/zinc/15/71/24/176157124.db2.gz IHOFVOBSTJNUKT-NXEZZACHSA-N 1 0 227.352 1.554 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CCCS2)[C@@H](C[NH3+])C1 ZINC000235312664 176160569 /nfs/dbraw/zinc/16/05/69/176160569.db2.gz UFDGMMUCVMHTHN-MXWKQRLJSA-N 1 0 242.388 1.468 10 0 BDAERO C[C@@H]1CCN(CC[NH2+]C2CCOCC2)[C@H](C)C1 ZINC000062767730 176170944 /nfs/dbraw/zinc/17/09/44/176170944.db2.gz XBVNVCCBTDXQSY-CHWSQXEVSA-N 1 0 240.391 1.875 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)[C@@H](CN)C1 ZINC000235315174 176171628 /nfs/dbraw/zinc/17/16/28/176171628.db2.gz UZUDLELYHPDNQA-GRYCIOLGSA-N 1 0 212.337 1.082 10 0 BDAERO C[C@@H]1CCN(Cc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000235337480 176176123 /nfs/dbraw/zinc/17/61/23/176176123.db2.gz YDZSYFWUFORZKW-DGCLKSJQSA-N 1 0 234.343 1.951 10 0 BDAERO C[C@@H]1CCN(Cc2ccncc2)CC[NH2+]1 ZINC000049662154 176177910 /nfs/dbraw/zinc/17/79/10/176177910.db2.gz JZFQSOHFRJOWBI-LLVKDONJSA-N 1 0 205.305 1.265 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1nc2ccccc2n1C ZINC000335655997 176185326 /nfs/dbraw/zinc/18/53/26/176185326.db2.gz GWKNEEFVDVUEFM-PWSUYJOCSA-N 1 0 244.342 1.983 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@@H]2CCCC[NH2+]2)[C@H](C)CO1 ZINC000035788749 176248209 /nfs/dbraw/zinc/24/82/09/176248209.db2.gz PUKLTWYUDKJFTK-UTUOFQBUSA-N 1 0 240.347 1.154 10 0 BDAERO C[C@@H]1CN(CC(C)(C)C[NH3+])[C@H](C)CO1 ZINC000051216936 176285005 /nfs/dbraw/zinc/28/50/05/176285005.db2.gz AJBBGKDSFRPANV-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@@H]1C[N@H+](CCC2(O)CC2)CCS1 ZINC000306676909 176286138 /nfs/dbraw/zinc/28/61/38/176286138.db2.gz XKNCKUPYYLGLHY-SECBINFHSA-N 1 0 201.335 1.339 10 0 BDAERO C[C@@H]1CN(CCc2ccc(F)cc2)CC[NH2+]1 ZINC000071524490 176293656 /nfs/dbraw/zinc/29/36/56/176293656.db2.gz XWOCVTCTEKZXAI-LLVKDONJSA-N 1 0 222.307 1.662 10 0 BDAERO C[C@@H]1CN(CCc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071544655 176293954 /nfs/dbraw/zinc/29/39/54/176293954.db2.gz GCRIWRNFWUTTQP-OCCSQVGLSA-N 1 0 234.343 1.277 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000061918641 176296975 /nfs/dbraw/zinc/29/69/75/176296975.db2.gz CJNMOVIKFZVJFA-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO C[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@H]1[NH+](C)C ZINC000251855058 176297323 /nfs/dbraw/zinc/29/73/23/176297323.db2.gz RVUSLEONDNFOQH-BPLDGKMQSA-N 1 0 248.370 1.602 10 0 BDAERO C[C@@H]1CN(Cc2cccnc2N)C[C@H]1[NH+](C)C ZINC000251929909 176307105 /nfs/dbraw/zinc/30/71/05/176307105.db2.gz YQVHVQCZJJNTDU-ZYHUDNBSSA-N 1 0 234.347 1.046 10 0 BDAERO C[C@@H]1CN(c2cccc(F)n2)C[C@H]1[NH+](C)C ZINC000251815977 176319866 /nfs/dbraw/zinc/31/98/66/176319866.db2.gz OSTRXTMNDQWAPE-NXEZZACHSA-N 1 0 223.295 1.607 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccn1 ZINC000113230826 176322335 /nfs/dbraw/zinc/32/23/35/176322335.db2.gz DUSOUSNTWHCRMJ-VXGBXAGGSA-N 1 0 245.326 1.390 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccn(C)c1 ZINC000268689756 176323529 /nfs/dbraw/zinc/32/35/29/176323529.db2.gz OMYZGPACHILPIU-YPMHNXCESA-N 1 0 247.342 1.334 10 0 BDAERO C[C@@H]1C[NH2+]CCN(c2ccccc2F)C1 ZINC000049661432 176326130 /nfs/dbraw/zinc/32/61/30/176326130.db2.gz IZGHAJQFUVSATD-SNVBAGLBSA-N 1 0 208.280 1.871 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000096988581 176328457 /nfs/dbraw/zinc/32/84/57/176328457.db2.gz BRZISRNRFRDYGP-ZWNOBZJWSA-N 1 0 240.347 1.853 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1CNC(=O)OC(C)(C)C ZINC000039093813 176328559 /nfs/dbraw/zinc/32/85/59/176328559.db2.gz CEFJWUXTHLISAP-RKDXNWHRSA-N 1 0 214.309 1.367 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cccnc1 ZINC000019801271 176329014 /nfs/dbraw/zinc/32/90/14/176329014.db2.gz UBUASJACWSUOIR-GHMZBOCLSA-N 1 0 205.305 1.264 10 0 BDAERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000104389047 176329062 /nfs/dbraw/zinc/32/90/62/176329062.db2.gz PKUBRIDWXRVIAR-WZRBSPASSA-N 1 0 232.327 1.719 10 0 BDAERO C[C@@H]1COCCN1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000035775399 176337111 /nfs/dbraw/zinc/33/71/11/176337111.db2.gz PCUMNVGAEPFCES-QKCSRTOESA-N 1 0 248.326 1.168 10 0 BDAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1ccco1 ZINC000035775088 176338018 /nfs/dbraw/zinc/33/80/18/176338018.db2.gz BTRDVZDJJOTQBU-ZJUUUORDSA-N 1 0 210.277 1.000 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000040715978 176349009 /nfs/dbraw/zinc/34/90/09/176349009.db2.gz JSPSGHVKGQGLOJ-RKDXNWHRSA-N 1 0 213.350 1.162 10 0 BDAERO C[C@@H]1CSC(NC[C@@H]2CCCOC2)=[NH+]1 ZINC000044982348 176349053 /nfs/dbraw/zinc/34/90/53/176349053.db2.gz BOBMEVZDWQHBSE-BDAKNGLRSA-N 1 0 214.334 1.494 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2cc(F)c(F)cc2[C@@H]1[NH3+] ZINC000035755773 176349085 /nfs/dbraw/zinc/34/90/85/176349085.db2.gz XPWYGQUFWXMGSM-GPXNAGAYSA-N 1 0 247.266 1.388 10 0 BDAERO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCCn2ncnc21 ZINC000336781865 176355862 /nfs/dbraw/zinc/35/58/62/176355862.db2.gz VZIWXUMHWZJUIX-KXUCPTDWSA-N 1 0 238.360 1.454 10 0 BDAERO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCCn2ncnc21 ZINC000336781866 176356089 /nfs/dbraw/zinc/35/60/89/176356089.db2.gz VZIWXUMHWZJUIX-OPRDCNLKSA-N 1 0 238.360 1.454 10 0 BDAERO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc(N)cn2)C1 ZINC000050614603 176362137 /nfs/dbraw/zinc/36/21/37/176362137.db2.gz QAXZQJZSCJFXNC-GHMZBOCLSA-N 1 0 222.336 1.443 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCOC2)CC(C)(C)C1 ZINC000300408622 176376626 /nfs/dbraw/zinc/37/66/26/176376626.db2.gz DMUKWVQRQARHQV-YRGRVCCFSA-N 1 0 241.375 1.942 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000037757827 176383918 /nfs/dbraw/zinc/38/39/18/176383918.db2.gz WLIXFICLSKCVRJ-MFKMUULPSA-N 1 0 232.327 1.760 10 0 BDAERO C[C@@H]1C[C@@H]1C[NH2+]Cc1cn2c(n1)CCCC2 ZINC000336780781 176396796 /nfs/dbraw/zinc/39/67/96/176396796.db2.gz SCGCOVNOFKJCDR-GHMZBOCLSA-N 1 0 219.332 1.965 10 0 BDAERO C[C@@H]1CC([NH2+][C@@H]2CCC(=O)N[C@H]2C)C[C@@H](C)O1 ZINC000339160912 176456089 /nfs/dbraw/zinc/45/60/89/176456089.db2.gz 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FLHUTJNMMOSNBU-SSDOTTSWSA-N 1 0 244.136 1.628 10 0 BDAERO C[C@H]([NH3+])[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000095801600 176764735 /nfs/dbraw/zinc/76/47/35/176764735.db2.gz GAFTVDZYKAATRP-SSDLBLMSSA-N 1 0 203.644 1.860 10 0 BDAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)n1cncn1 ZINC000043053037 176771140 /nfs/dbraw/zinc/77/11/40/176771140.db2.gz HQDCESRCRSOQBS-GZMMTYOYSA-N 1 0 236.706 1.868 10 0 BDAERO C[C@H](NC(=O)C[C@@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000035735102 176793977 /nfs/dbraw/zinc/79/39/77/176793977.db2.gz DOFZJINXYPZHDE-SDDRHHMPSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000062112859 176810009 /nfs/dbraw/zinc/81/00/09/176810009.db2.gz TYXGPJHSPRONFS-DTWKUNHWSA-N 1 0 208.261 1.066 10 0 BDAERO C[C@H]([NH2+]C1CCCCCC1)C(=O)NC1CC1 ZINC000036962600 176829159 /nfs/dbraw/zinc/82/91/59/176829159.db2.gz VBKULLDWIWVOLV-JTQLQIEISA-N 1 0 224.348 1.966 10 0 BDAERO C[C@H](O)C[N@H+](CCO)C[C@H]1Cc2ccccc21 ZINC000289918855 176974931 /nfs/dbraw/zinc/97/49/31/176974931.db2.gz 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631443503 /nfs/dbraw/zinc/44/35/03/631443503.db2.gz YYOXNJRZOMJGTF-NSHDSACASA-N 1 0 203.326 1.554 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccccc1 ZINC000309330996 487867636 /nfs/dbraw/zinc/86/76/36/487867636.db2.gz SJRGHRJXDRLQHI-KOLCDFICSA-N 1 0 219.288 1.640 10 0 BDAERO C[C@H]([NH2+]CC[C@H]1CCNC1=O)c1cccs1 ZINC000395792199 487873190 /nfs/dbraw/zinc/87/31/90/487873190.db2.gz VOCFUYVDROUVAT-UWVGGRQHSA-N 1 0 238.356 1.925 10 0 BDAERO CCCCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085010723 643520059 /nfs/dbraw/zinc/52/00/59/643520059.db2.gz NWWZMELUYIQKDM-GHMZBOCLSA-N 1 0 212.337 1.810 10 0 BDAERO CCCc1nccnc1N[C@H](C)C[C@H](C)[NH3+] ZINC000663274322 487890800 /nfs/dbraw/zinc/89/08/00/487890800.db2.gz MUXDWUNEZFTPDO-VHSXEESVSA-N 1 0 222.336 1.967 10 0 BDAERO COc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c(F)c1 ZINC000234934390 487894954 /nfs/dbraw/zinc/89/49/54/487894954.db2.gz LRGKWONTHPYNJP-RNCFNFMXSA-N 1 0 238.306 1.613 10 0 BDAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000083427938 487911808 /nfs/dbraw/zinc/91/18/08/487911808.db2.gz CDUBKPJDESISNS-IJLUTSLNSA-N 1 0 224.348 1.823 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000668541926 487913259 /nfs/dbraw/zinc/91/32/59/487913259.db2.gz XCXMIPZDWAPPJF-KXUCPTDWSA-N 1 0 213.325 1.164 10 0 BDAERO Cc1cc(C[NH2+]CC[C@@H]2CCCO2)on1 ZINC000083526519 487918219 /nfs/dbraw/zinc/91/82/19/487918219.db2.gz PAGQNNXHPSNMQV-JTQLQIEISA-N 1 0 210.277 1.642 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)Nc2cccc(C[NH3+])c2)O1 ZINC000157784189 487921155 /nfs/dbraw/zinc/92/11/55/487921155.db2.gz XGQCEESJVSLQSU-BXKDBHETSA-N 1 0 234.299 1.651 10 0 BDAERO CC(C)c1nsc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000083670275 487926083 /nfs/dbraw/zinc/92/60/83/487926083.db2.gz LPFQDJPQLWYDMJ-QMMMGPOBSA-N 1 0 226.349 1.447 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CN(c2nccc3occc32)CCO1 ZINC000235192177 487932195 /nfs/dbraw/zinc/93/21/95/487932195.db2.gz HZAVOZABTKTIMT-SKDRFNHKSA-N 1 0 247.298 1.380 10 0 BDAERO 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O[C@@H]1CCC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667930243 488161104 /nfs/dbraw/zinc/16/11/04/488161104.db2.gz XYZAYOIPEALSDM-RVMXOQNASA-N 1 0 225.332 1.447 10 0 BDAERO Cc1occc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000321485578 488138343 /nfs/dbraw/zinc/13/83/43/488138343.db2.gz FORTZLYAXBWKKS-NWDGAFQWSA-N 1 0 209.289 1.981 10 0 BDAERO Cc1ccc(CCN[C@H]2CC[NH2+]C2)cc1C ZINC000258868629 488140322 /nfs/dbraw/zinc/14/03/22/488140322.db2.gz FWSXLDUBVWBLIR-AWEZNQCLSA-N 1 0 218.344 1.797 10 0 BDAERO CC(C)[C@H](C)[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404034527 488145711 /nfs/dbraw/zinc/14/57/11/488145711.db2.gz YDEDSQNJUODSEO-SDDRHHMPSA-N 1 0 212.337 1.094 10 0 BDAERO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000310247071 488147988 /nfs/dbraw/zinc/14/79/88/488147988.db2.gz VDLVBZZBSXIFNC-HKLHZYFVSA-N 1 0 236.359 1.535 10 0 BDAERO CC(C)[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404132065 488148417 /nfs/dbraw/zinc/14/84/17/488148417.db2.gz NRZKUEGZOXSUNZ-VHSXEESVSA-N 1 0 221.291 1.980 10 0 BDAERO CC(C)O[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000404480538 488163729 /nfs/dbraw/zinc/16/37/29/488163729.db2.gz CULRLTMKRPZHHP-JHJVBQTASA-N 1 0 227.348 1.789 10 0 BDAERO C[C@@H]1CCCN(c2ccnc(N(C)C)n2)[C@@H]1C[NH3+] ZINC000085432233 488171383 /nfs/dbraw/zinc/17/13/83/488171383.db2.gz YMNFTKFQBOYRKO-GHMZBOCLSA-N 1 0 249.362 1.106 10 0 BDAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000054073001 488205399 /nfs/dbraw/zinc/20/53/99/488205399.db2.gz ZVTSIWAAHRFCLK-YUMQZZPRSA-N 1 0 242.269 1.750 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH+]1Cc2ccccc2C1 ZINC000050911816 488210119 /nfs/dbraw/zinc/21/01/19/488210119.db2.gz CIOHFCQKMBSPPL-CHWSQXEVSA-N 1 0 203.285 1.916 10 0 BDAERO CC[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2O)C[C@H](CC)O1 ZINC000398597302 488220555 /nfs/dbraw/zinc/22/05/55/488220555.db2.gz SMLUMTGPDWWIFB-YVECIDJPSA-N 1 0 227.348 1.789 10 0 BDAERO Cc1ncccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398808794 488224403 /nfs/dbraw/zinc/22/44/03/488224403.db2.gz WAWOWYGRWUUAEU-RRFJBIMHSA-N 1 0 246.354 1.983 10 0 BDAERO C[C@@H]1C[C@H](CO)C[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000398842815 488224553 /nfs/dbraw/zinc/22/45/53/488224553.db2.gz SFLNXAZNYBTWEX-ZOBORPQBSA-N 1 0 241.375 1.488 10 0 BDAERO CC[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000037235945 535477719 /nfs/dbraw/zinc/47/77/19/535477719.db2.gz JXCCJQFGILABND-UHFFFAOYSA-N 1 0 238.306 1.772 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000226231255 490124062 /nfs/dbraw/zinc/12/40/62/490124062.db2.gz CAGYQNVTAUNZGQ-QNWHQSFQSA-N 1 0 227.348 1.431 10 0 BDAERO COC[C@H](C)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220867442 490152269 /nfs/dbraw/zinc/15/22/69/490152269.db2.gz MTSNTLKTMCRGBA-SCZZXKLOSA-N 1 0 212.293 1.916 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000078642293 490205214 /nfs/dbraw/zinc/20/52/14/490205214.db2.gz VIWWLRPWHLXTGU-AWEZNQCLSA-N 1 0 240.391 1.877 10 0 BDAERO CN(c1ncnc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071311657 490222118 /nfs/dbraw/zinc/22/21/18/490222118.db2.gz DRWKIYBRLANYNE-SNVBAGLBSA-N 1 0 228.299 1.428 10 0 BDAERO CC1(C)CC(NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000395196814 490325462 /nfs/dbraw/zinc/32/54/62/490325462.db2.gz CRNIYQOONCRHMF-JTQLQIEISA-N 1 0 224.348 1.681 10 0 BDAERO CC1CCC(C[NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000084339467 490383862 /nfs/dbraw/zinc/38/38/62/490383862.db2.gz CQNAWGROWMEQAO-MCIGGMRASA-N 1 0 224.348 1.681 10 0 BDAERO Cc1c(C[NH2+]CC[C@H]2CCCO2)cnn1C ZINC000086551989 491063091 /nfs/dbraw/zinc/06/30/91/491063091.db2.gz DDGPKEFJNSKZTL-GFCCVEGCSA-N 1 0 223.320 1.387 10 0 BDAERO Cn1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000085590784 491049001 /nfs/dbraw/zinc/04/90/01/491049001.db2.gz OLEDNANYVGNVSL-VXGBXAGGSA-N 1 0 208.305 1.418 10 0 BDAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000226884368 491052567 /nfs/dbraw/zinc/05/25/67/491052567.db2.gz MDUUQQKESLDIED-ZMLRMANQSA-N 1 0 237.347 1.683 10 0 BDAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cccnc2)cn1 ZINC000136080650 491052764 /nfs/dbraw/zinc/05/27/64/491052764.db2.gz PYESFAHLVQBOND-AWEZNQCLSA-N 1 0 242.326 1.943 10 0 BDAERO C[C@H]1CN(c2ncnc3c2CCCC3)C[C@@H]1[NH3+] ZINC000235748770 491069713 /nfs/dbraw/zinc/06/97/13/491069713.db2.gz MSYMXYNKEFBENA-ONGXEEELSA-N 1 0 232.331 1.139 10 0 BDAERO Cc1cc(C(C)C)nc(NC[C@H](C)[NH3+])n1 ZINC000229930147 491121299 /nfs/dbraw/zinc/12/12/99/491121299.db2.gz SZULYVLTILPBOV-QMMMGPOBSA-N 1 0 208.309 1.668 10 0 BDAERO Cc1cc(N)c(NC2=[NH+]CCN2)cc1F ZINC000521401641 491123416 /nfs/dbraw/zinc/12/34/16/491123416.db2.gz LWDJYNZPIQRUAI-UHFFFAOYSA-N 1 0 208.240 1.087 10 0 BDAERO CN(C)[C@@H]1C[N@H+](CC(C)(C)C)CC[C@@H]1CO ZINC000075876418 491132527 /nfs/dbraw/zinc/13/25/27/491132527.db2.gz LFXIYUUPSQVIBE-VXGBXAGGSA-N 1 0 228.380 1.277 10 0 BDAERO CCc1nsc(N[C@H]2C[N@H+](CC)C[C@@H]2C)n1 ZINC000309448234 491148409 /nfs/dbraw/zinc/14/84/09/491148409.db2.gz KJQITCHIQYSLTB-IUCAKERBSA-N 1 0 240.376 1.853 10 0 BDAERO CC[C@H](C)C[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000309699020 491154713 /nfs/dbraw/zinc/15/47/13/491154713.db2.gz LXJSRXOBZCGDAO-LOWVWBTDSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cn[nH]c2)C[C@H](C)O1 ZINC000309746316 491155885 /nfs/dbraw/zinc/15/58/85/491155885.db2.gz FQJOLVLUTSOIII-JGPRNRPPSA-N 1 0 223.320 1.703 10 0 BDAERO CO[C@@H](C)C(=O)c1nc(C)c(CC[NH3+])s1 ZINC000757122959 582497860 /nfs/dbraw/zinc/49/78/60/582497860.db2.gz HDMHCVHUMDZFQQ-ZETCQYMHSA-N 1 0 228.317 1.170 10 0 BDAERO Cc1nc(C(=O)C(C)C)sc1CC[NH3+] ZINC000757124018 582499250 /nfs/dbraw/zinc/49/92/50/582499250.db2.gz NIMKZBGXGMYQSV-UHFFFAOYSA-N 1 0 212.318 1.791 10 0 BDAERO CC(C)(C)[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757127433 582502655 /nfs/dbraw/zinc/50/26/55/582502655.db2.gz IOVLLPRONRNXHG-QMMMGPOBSA-N 1 0 214.334 1.724 10 0 BDAERO C[NH2+]Cc1csc([C@H](O)[C@H]2C[C@H]2C)n1 ZINC000757130232 582505179 /nfs/dbraw/zinc/50/51/79/582505179.db2.gz OOMXFABDQNHBSB-BWVDBABLSA-N 1 0 212.318 1.552 10 0 BDAERO CCC[C@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757134557 582511669 /nfs/dbraw/zinc/51/16/69/582511669.db2.gz YMYMEKUUFRDHPF-ZETCQYMHSA-N 1 0 200.307 1.744 10 0 BDAERO CC(C)[C@@H]1NC2(CC[NH2+]CC2)OCC12CCC2 ZINC000757142738 582523032 /nfs/dbraw/zinc/52/30/32/582523032.db2.gz LTFJQXFNQHKGIR-LBPRGKRZSA-N 1 0 238.375 1.881 10 0 BDAERO CN1CC[C@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757143653 582523840 /nfs/dbraw/zinc/52/38/40/582523840.db2.gz MGHKNPJHJCJYNT-LBPRGKRZSA-N 1 0 212.337 1.443 10 0 BDAERO CC1(C)C[NH2+][C@@]2(CCOC2)O[C@@]12CCCOC2 ZINC000757145469 582527996 /nfs/dbraw/zinc/52/79/96/582527996.db2.gz PDVNSHMPXWRYFH-OLZOCXBDSA-N 1 0 241.331 1.298 10 0 BDAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]C1(COC1)CCO2 ZINC000757145753 582528425 /nfs/dbraw/zinc/52/84/25/582528425.db2.gz IRSDKMZZHPVXDD-GHMZBOCLSA-N 1 0 225.332 1.918 10 0 BDAERO Cc1ccc(CN2CC[C@H]2C[NH3+])cc1C ZINC000757147040 582530796 /nfs/dbraw/zinc/53/07/96/582530796.db2.gz SJYXKAWQLHMHOP-ZDUSSCGKSA-N 1 0 204.317 1.836 10 0 BDAERO CCCN(CC)S(=O)(=O)C[C@H]([NH3+])C(C)C ZINC000757151563 582535505 /nfs/dbraw/zinc/53/55/05/582535505.db2.gz IAJHNBJMCRZYEL-JTQLQIEISA-N 1 0 236.381 1.031 10 0 BDAERO CCOC(=O)C[C@](C)([NH3+])C1CSC1 ZINC000757152697 582537594 /nfs/dbraw/zinc/53/75/94/582537594.db2.gz ZMHZAOJUISIGCW-VIFPVBQESA-N 1 0 203.307 1.020 10 0 BDAERO COC[C@H]1CCOC2(CCSCC2)[NH2+]1 ZINC000757153799 582539045 /nfs/dbraw/zinc/53/90/45/582539045.db2.gz YSNOWXILCCMQQQ-SECBINFHSA-N 1 0 217.334 1.235 10 0 BDAERO Cc1cc(C[C@@H](O)[C@@H](C)[NH3+])ccc1Cl ZINC000757157472 582540283 /nfs/dbraw/zinc/54/02/83/582540283.db2.gz LREZVIDXNXGAEG-LDYMZIIASA-N 1 0 213.708 1.899 10 0 BDAERO CC[NH2+][C@H](CO)CSCc1occc1C ZINC000757166035 582548325 /nfs/dbraw/zinc/54/83/25/582548325.db2.gz QYIMRYIWOGPTCB-SNVBAGLBSA-N 1 0 229.345 1.792 10 0 BDAERO CC[C@H](NC(=O)[C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000262615017 535839580 /nfs/dbraw/zinc/83/95/80/535839580.db2.gz YZJRXANEKFSBLL-KOLCDFICSA-N 1 0 226.364 1.783 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000249326329 535847974 /nfs/dbraw/zinc/84/79/74/535847974.db2.gz GVXUKWUMFXHEAN-YPMHNXCESA-N 1 0 237.347 1.370 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C/c2cccc(F)c2)C[C@H]1[NH3+] ZINC000493123697 534274474 /nfs/dbraw/zinc/27/44/74/534274474.db2.gz VJQISSCHBHLROT-KOIHBYQTSA-N 1 0 248.301 1.645 10 0 BDAERO C[C@H]([NH2+]Cc1cncnc1)[C@H]1CCCO1 ZINC000054767190 518183307 /nfs/dbraw/zinc/18/33/07/518183307.db2.gz FFOXFAFPCHISRE-GXSJLCMTSA-N 1 0 207.277 1.134 10 0 BDAERO CC(C)CCNc1nc2c(c(NN)[nH+]1)CCC2 ZINC000057331706 519664709 /nfs/dbraw/zinc/66/47/09/519664709.db2.gz ZAYDUGZIUJQHPD-UHFFFAOYSA-N 1 0 235.335 1.709 10 0 BDAERO CCCC[C@@H](CC)C(=O)NCCOCC[NH3+] ZINC000082589703 521018539 /nfs/dbraw/zinc/01/85/39/521018539.db2.gz AFKLNLLRAXOJJC-LLVKDONJSA-N 1 0 230.352 1.294 10 0 BDAERO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000262431981 536359615 /nfs/dbraw/zinc/35/96/15/536359615.db2.gz TWRNJHJZRARXGJ-GRYCIOLGSA-N 1 0 222.332 1.243 10 0 BDAERO CN(C)c1cccc(C(=O)NCCCCC[NH3+])c1 ZINC000079867956 522260173 /nfs/dbraw/zinc/26/01/73/522260173.db2.gz XTYOSLIVYLYUCC-UHFFFAOYSA-N 1 0 249.358 1.611 10 0 BDAERO C[NH2+][C@](C)(C(N)=O)c1ccccc1C(F)(F)F ZINC000037459054 522514181 /nfs/dbraw/zinc/51/41/81/522514181.db2.gz SDZSALRLYIKDTR-JTQLQIEISA-N 1 0 246.232 1.625 10 0 BDAERO CC(=O)N[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000172074555 534661781 /nfs/dbraw/zinc/66/17/81/534661781.db2.gz AKGRQYRBWQESSU-AWEZNQCLSA-N 1 0 247.342 1.225 10 0 BDAERO CCc1cc(NN)[nH+]c(NCCC(C)C)n1 ZINC000057331695 523823079 /nfs/dbraw/zinc/82/30/79/523823079.db2.gz FFDNKVYGMFJLSI-UHFFFAOYSA-N 1 0 223.324 1.783 10 0 BDAERO CC(C)(C)OC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171638205 534747475 /nfs/dbraw/zinc/74/74/75/534747475.db2.gz MQBPOQLGJDPRAL-LLVKDONJSA-N 1 0 240.347 1.108 10 0 BDAERO Cc1cccc(CC(=O)NCCCCC[NH3+])c1 ZINC000079867873 524342802 /nfs/dbraw/zinc/34/28/02/524342802.db2.gz DMOMJGYJZCNEMB-UHFFFAOYSA-N 1 0 234.343 1.783 10 0 BDAERO O=C(NCC[C@H]1CC[NH2+]C1)OCc1ccccc1 ZINC000095080806 526389297 /nfs/dbraw/zinc/38/92/97/526389297.db2.gz XACSWFHMFFHFAN-GFCCVEGCSA-N 1 0 248.326 1.912 10 0 BDAERO c1nc2c(cc1OCC1CC1)C[NH2+]CC2 ZINC000072221106 526607319 /nfs/dbraw/zinc/60/73/19/526607319.db2.gz WBXKQMWAYPHBPQ-UHFFFAOYSA-N 1 0 204.273 1.516 10 0 BDAERO O=C(c1cc([C@@H]2CCC[NH2+]C2)n[nH]1)N1CCCC1 ZINC000229011159 526628885 /nfs/dbraw/zinc/62/88/85/526628885.db2.gz JQLJGOKVVMJPMB-SNVBAGLBSA-N 1 0 248.330 1.113 10 0 BDAERO C[NH2+]C[C@H]1CCCN(c2ncccc2C)C1 ZINC000051041274 536466285 /nfs/dbraw/zinc/46/62/85/536466285.db2.gz XTSCBLZOSAHTMX-GFCCVEGCSA-N 1 0 219.332 1.826 10 0 BDAERO CN(Cc1ccc(Cl)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524443 536468610 /nfs/dbraw/zinc/46/86/10/536468610.db2.gz TUGZDLSAUKTQPK-RYUDHWBXSA-N 1 0 240.734 1.105 10 0 BDAERO C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1csc(C)n1 ZINC000309508219 536468805 /nfs/dbraw/zinc/46/88/05/536468805.db2.gz NBILSUKLQPYMAP-MWLCHTKSSA-N 1 0 243.351 1.583 10 0 BDAERO COC[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000173693985 536522339 /nfs/dbraw/zinc/52/23/39/536522339.db2.gz CHICCWLZQYTABP-GFCCVEGCSA-N 1 0 237.347 1.630 10 0 BDAERO CC(C)C[C@H](CO)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400539135 528548836 /nfs/dbraw/zinc/54/88/36/528548836.db2.gz UJLASJXAYDGVDY-TUAOUCFPSA-N 1 0 214.353 1.124 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1OC ZINC000300298763 528626445 /nfs/dbraw/zinc/62/64/45/528626445.db2.gz NIKRBECUHWOWAY-JHJVBQTASA-N 1 0 245.363 1.321 10 0 BDAERO CCC[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](C)C1 ZINC000226858224 534948505 /nfs/dbraw/zinc/94/85/05/534948505.db2.gz LQVMPVBVAUSMQA-QWHCGFSZSA-N 1 0 226.364 1.439 10 0 BDAERO CC(C)C[NH+]1CCN(c2ccccc2CO)CC1 ZINC000055080015 535105017 /nfs/dbraw/zinc/10/50/17/535105017.db2.gz QGCYHVFRMBPBNX-UHFFFAOYSA-N 1 0 248.370 1.957 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000179204668 535145120 /nfs/dbraw/zinc/14/51/20/535145120.db2.gz FHXHHEGJLKGDHV-VHSXEESVSA-N 1 0 200.326 1.474 10 0 BDAERO CCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661991 535318239 /nfs/dbraw/zinc/31/82/39/535318239.db2.gz SNPJJLVIUIPMJK-MNOVXSKESA-N 1 0 210.321 1.482 10 0 BDAERO CC(C)OCCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261632431 535318791 /nfs/dbraw/zinc/31/87/91/535318791.db2.gz ADPOSLQXEUDHLC-RYUDHWBXSA-N 1 0 242.363 1.387 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000227758154 535461972 /nfs/dbraw/zinc/46/19/72/535461972.db2.gz VVMXLOVINCTGQT-MDZLAQPJSA-N 1 0 224.348 1.681 10 0 BDAERO CC[NH2+]Cc1ccc(N2CCOC[C@H]2CC)nc1 ZINC000051446960 535478546 /nfs/dbraw/zinc/47/85/46/535478546.db2.gz XMYGFCGFJQGSBF-CYBMUJFWSA-N 1 0 249.358 1.806 10 0 BDAERO CCO[C@@H]1C[C@H]1C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000178295506 535524046 /nfs/dbraw/zinc/52/40/46/535524046.db2.gz OIYWXYYUNXZENI-GRYCIOLGSA-N 1 0 242.363 1.243 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSC ZINC000176994499 535544909 /nfs/dbraw/zinc/54/49/09/535544909.db2.gz IAUWFIFGIWHONI-SNVBAGLBSA-N 1 0 230.377 1.292 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC(F)F)C1 ZINC000171430709 535574909 /nfs/dbraw/zinc/57/49/09/535574909.db2.gz IQINEQAWWLIUNG-VIFPVBQESA-N 1 0 249.305 1.377 10 0 BDAERO CCOC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000226938873 535649614 /nfs/dbraw/zinc/64/96/14/535649614.db2.gz VESARKZDGGSBPH-NEPJUHHUSA-N 1 0 241.331 1.583 10 0 BDAERO CC[C@@H](C)[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122659 535703010 /nfs/dbraw/zinc/70/30/10/535703010.db2.gz PTMXYAOBYAARJW-WRWGMCAJSA-N 1 0 226.364 1.925 10 0 BDAERO CC[C@@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000180830174 535813730 /nfs/dbraw/zinc/81/37/30/535813730.db2.gz AIHLADDLRQBRBR-JHJVBQTASA-N 1 0 226.364 1.316 10 0 BDAERO CCc1nsc(N2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261562235 535911353 /nfs/dbraw/zinc/91/13/53/535911353.db2.gz BEEPZFBISDCGQO-QMMMGPOBSA-N 1 0 240.376 1.664 10 0 BDAERO CN(C(=O)CCc1ccsc1)C1C[NH2+]C1 ZINC000261553780 535979939 /nfs/dbraw/zinc/97/99/39/535979939.db2.gz STMGGRUFZBCGCH-UHFFFAOYSA-N 1 0 224.329 1.111 10 0 BDAERO CCc1c(C)[nH+]c(N2CCOCC2)nc1NC ZINC000050849443 536070207 /nfs/dbraw/zinc/07/02/07/536070207.db2.gz XRNFBZVUFLRYPI-UHFFFAOYSA-N 1 0 236.319 1.226 10 0 BDAERO CC[C@H](C)[NH+]1CCN(c2ncccc2CO)CC1 ZINC000055069063 536148691 /nfs/dbraw/zinc/14/86/91/536148691.db2.gz HAOGNMXFZBSILO-LBPRGKRZSA-N 1 0 249.358 1.494 10 0 BDAERO Nc1[nH+]ccn1CCn1cc(Cl)cn1 ZINC000702619318 582926790 /nfs/dbraw/zinc/92/67/90/582926790.db2.gz CLDAENHOXCHZNG-UHFFFAOYSA-N 1 0 211.656 1.015 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2ccc(C)cn2)C1 ZINC000053204725 536366189 /nfs/dbraw/zinc/36/61/89/536366189.db2.gz BFSOKPYLLAGQKQ-LLVKDONJSA-N 1 0 205.305 1.578 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2nncc3ccccc32)C1 ZINC000053204900 536366675 /nfs/dbraw/zinc/36/66/75/536366675.db2.gz VIXMFOTUYNWHAU-GFCCVEGCSA-N 1 0 242.326 1.818 10 0 BDAERO C[NH2+][C@H](C)CNc1cc(C)nc(C(C)C)n1 ZINC000261569066 536404345 /nfs/dbraw/zinc/40/43/45/536404345.db2.gz GBDQSCOERSWSGJ-SNVBAGLBSA-N 1 0 222.336 1.928 10 0 BDAERO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N)s1 ZINC000261562577 536591405 /nfs/dbraw/zinc/59/14/05/536591405.db2.gz BKIBBXLWHXUDJC-VHSXEESVSA-N 1 0 241.360 1.773 10 0 BDAERO COC1(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000335700702 536631222 /nfs/dbraw/zinc/63/12/22/536631222.db2.gz CXRHLUPCBDMBAU-PHIMTYICSA-N 1 0 213.321 1.665 10 0 BDAERO CO[C@H](C)CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000183431526 536852251 /nfs/dbraw/zinc/85/22/51/536852251.db2.gz WZXHOIBUMPRWAU-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO NCC(F)(F)CN1CCC=C(Cl)C1 ZINC000404402695 537881817 /nfs/dbraw/zinc/88/18/17/537881817.db2.gz UNRCHSNMJONWGE-UHFFFAOYSA-N 1 0 210.655 1.409 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H](C(C)C)C2CC2)C1 ZINC000323970349 537908322 /nfs/dbraw/zinc/90/83/22/537908322.db2.gz IGQPOTGJWJIJIT-UONOGXRCSA-N 1 0 240.391 1.731 10 0 BDAERO Cn1nccc1-c1c(C[NH3+])nnn1CC(C)(C)C ZINC000725257015 538059712 /nfs/dbraw/zinc/05/97/12/538059712.db2.gz FKOAYSDQCIWECR-UHFFFAOYSA-N 1 0 248.334 1.183 10 0 BDAERO CCC[C@H](C)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257183 538062033 /nfs/dbraw/zinc/06/20/33/538062033.db2.gz IGAKPKDPOLPWPQ-VIFPVBQESA-N 1 0 248.334 1.498 10 0 BDAERO CC[C@H](C)n1nnc(C[NH2+]C)c1-c1ccnn1C ZINC000725257875 538069624 /nfs/dbraw/zinc/06/96/24/538069624.db2.gz YWOLGYCCJKVINN-VIFPVBQESA-N 1 0 248.334 1.369 10 0 BDAERO CCNC(=O)N1c2ccccc2CCC[C@@H]1C[NH3+] ZINC000725262925 538089267 /nfs/dbraw/zinc/08/92/67/538089267.db2.gz SZFWLGBTPCZENL-GFCCVEGCSA-N 1 0 247.342 1.886 10 0 BDAERO CCNC(=O)N1c2ccccc2CCC[C@H]1C[NH3+] ZINC000725262926 538089206 /nfs/dbraw/zinc/08/92/06/538089206.db2.gz SZFWLGBTPCZENL-LBPRGKRZSA-N 1 0 247.342 1.886 10 0 BDAERO CCOc1cccc([C@@H]2C[NH2+]C[C@]2(N)CC)c1 ZINC000725262846 538089741 /nfs/dbraw/zinc/08/97/41/538089741.db2.gz ZEESSATXXNMXMN-UONOGXRCSA-N 1 0 234.343 1.880 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)[C@@H]1CCCSC1 ZINC000379368823 538105646 /nfs/dbraw/zinc/10/56/46/538105646.db2.gz OXMNYXKGUCRZFU-OPRDCNLKSA-N 1 0 203.351 1.475 10 0 BDAERO [NH3+]CC(F)(F)Cn1cc(Br)cn1 ZINC000217114953 566341294 /nfs/dbraw/zinc/34/12/94/566341294.db2.gz VDLLEGVBAJAUSG-UHFFFAOYSA-N 1 0 240.051 1.240 10 0 BDAERO COCc1csc([C@@H](O)CC[NH3+])c1 ZINC000669377067 566424042 /nfs/dbraw/zinc/42/40/42/566424042.db2.gz FQOLYLZCEGFHKD-QMMMGPOBSA-N 1 0 201.291 1.277 10 0 BDAERO CCC(=O)N[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669380695 566425679 /nfs/dbraw/zinc/42/56/79/566425679.db2.gz TVNNOHFCNCIDOF-BYPYZUCNSA-N 1 0 234.168 1.038 10 0 BDAERO C[C@@H]1C[C@@H](c2cnn(C3CC3)c2N)CC[NH2+]1 ZINC000669384983 566427695 /nfs/dbraw/zinc/42/76/95/566427695.db2.gz RGPNVPVRSWFORS-BDAKNGLRSA-N 1 0 220.320 1.656 10 0 BDAERO C[C@@H]1C[C@H](C)CN(CC2=[NH+]CCCN2)C1 ZINC000669384968 566427803 /nfs/dbraw/zinc/42/78/03/566427803.db2.gz QGDAHCDHNBEBMA-PHIMTYICSA-N 1 0 209.337 1.356 10 0 BDAERO [NH3+][C@@H](c1ncccn1)[C@@H]1CCOC2(CCC2)C1 ZINC000094398481 566456090 /nfs/dbraw/zinc/45/60/90/566456090.db2.gz NFBFFYVBAYYUBT-GHMZBOCLSA-N 1 0 233.315 1.826 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](C)C1N1CCOC(C)(C)C1 ZINC000685951950 566486960 /nfs/dbraw/zinc/48/69/60/566486960.db2.gz ZXFLTHNXQNLCFK-QWRGUYRKSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@H]1C[C@H](C)CN(Cc2nn(C)cc2C=O)C1 ZINC000675052862 566412524 /nfs/dbraw/zinc/41/25/24/566412524.db2.gz BTZKUVFPRKPOKY-QWRGUYRKSA-N 1 0 235.331 1.711 10 0 BDAERO NC(=O)[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000020580013 582459773 /nfs/dbraw/zinc/45/97/73/582459773.db2.gz HXXQORDTEXRKEW-LBPRGKRZSA-N 1 0 228.295 1.443 10 0 BDAERO [NH3+]CCc1cc(-c2cccc(O)c2)on1 ZINC000757121495 582497084 /nfs/dbraw/zinc/49/70/84/582497084.db2.gz JFGJAWQARRRWDE-UHFFFAOYSA-N 1 0 204.229 1.548 10 0 BDAERO Cc1nc(C(=O)C(F)(F)F)sc1CC[NH3+] ZINC000757122914 582497775 /nfs/dbraw/zinc/49/77/75/582497775.db2.gz GJCHENXFMZDLEG-UHFFFAOYSA-N 1 0 238.234 1.698 10 0 BDAERO COCCN1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757128143 582502581 /nfs/dbraw/zinc/50/25/81/582502581.db2.gz IYJPTKYWGGZPFC-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO CC(C)[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757129360 582504241 /nfs/dbraw/zinc/50/42/41/582504241.db2.gz LGGHZIRGYBLZHZ-CYBMUJFWSA-N 1 0 208.349 1.955 10 0 BDAERO C[NH2+]Cc1sc([C@@H](O)C(F)F)nc1C ZINC000757130250 582505216 /nfs/dbraw/zinc/50/52/16/582505216.db2.gz OWMXPKLZCDSKDO-LURJTMIESA-N 1 0 222.260 1.469 10 0 BDAERO C[C@H](F)CN1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757134065 582510392 /nfs/dbraw/zinc/51/03/92/582510392.db2.gz WAMSSILPBQNZQR-SDDRHHMPSA-N 1 0 214.328 1.951 10 0 BDAERO FC(F)CN1CCCC12CC[NH2+]CC2 ZINC000757134995 582514351 /nfs/dbraw/zinc/51/43/51/582514351.db2.gz XRVBEARDJVTNQV-UHFFFAOYSA-N 1 0 204.264 1.470 10 0 BDAERO CC(C)(C)[C@@H]1CCO[C@]2(CN3CCC2CC3)[NH2+]1 ZINC000757140440 582520828 /nfs/dbraw/zinc/52/08/28/582520828.db2.gz MOGTXAPQJJYYEG-JSGCOSHPSA-N 1 0 238.375 1.833 10 0 BDAERO C1CC1[C@H]1C[NH2+][C@]2(CCCOCC2)OC1 ZINC000757141618 582522498 /nfs/dbraw/zinc/52/24/98/582522498.db2.gz ALAJLSGNUFTFHJ-NWDGAFQWSA-N 1 0 211.305 1.529 10 0 BDAERO C1CCC2(C1)C[NH2+][C@]1(CCSC1)OC2 ZINC000757143661 582523858 /nfs/dbraw/zinc/52/38/58/582523858.db2.gz NWAIDVVRJPLIBS-LLVKDONJSA-N 1 0 213.346 2.000 10 0 BDAERO CC(C)[C@@H]1N[C@@]2(CC[NH2+]C2)OCC1(C)C ZINC000757143691 582524210 /nfs/dbraw/zinc/52/42/10/582524210.db2.gz DZEGVSNGRNJFEN-JQWIXIFHSA-N 1 0 212.337 1.347 10 0 BDAERO c1ccc(C[C@H]2CCO[C@@]3(CC[NH2+]C3)N2)cc1 ZINC000757143859 582524660 /nfs/dbraw/zinc/52/46/60/582524660.db2.gz FJQDDCMVACEXAH-ZIAGYGMSSA-N 1 0 232.327 1.297 10 0 BDAERO Cc1cc(COC[C@H]([NH3+])CO)ccc1Cl ZINC000757145364 582527376 /nfs/dbraw/zinc/52/73/76/582527376.db2.gz LGLBCUDHFWVYPP-SNVBAGLBSA-N 1 0 229.707 1.485 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ncccc1Br ZINC000757145874 582528553 /nfs/dbraw/zinc/52/85/53/582528553.db2.gz LYPPODDITBNKFM-SSDOTTSWSA-N 1 0 242.120 1.382 10 0 BDAERO CC1(C)CC[NH2+][C@]2(CCCSC2)O1 ZINC000757145868 582528579 /nfs/dbraw/zinc/52/85/79/582528579.db2.gz IWXTVQIBPLGQLH-SNVBAGLBSA-N 1 0 201.335 1.998 10 0 BDAERO CCCC1(CCC)[NH2+]C[C@@]2(COCCN2)CO1 ZINC000757146324 582529797 /nfs/dbraw/zinc/52/97/97/582529797.db2.gz QVTOZXLADWXYKV-GFCCVEGCSA-N 1 0 242.363 1.261 10 0 BDAERO CC(C)[C@@H]1OC2(CC[NH2+]CC2)NCC12CC2 ZINC000757148298 582532830 /nfs/dbraw/zinc/53/28/30/582532830.db2.gz TZFWYUNFGJSQCZ-NSHDSACASA-N 1 0 224.348 1.491 10 0 BDAERO CC(C)C[NH+]1CCC2(CC1)NCC(F)(F)CO2 ZINC000757151317 582535621 /nfs/dbraw/zinc/53/56/21/582535621.db2.gz QHNROLKMLXNEBB-UHFFFAOYSA-N 1 0 248.317 1.690 10 0 BDAERO C[NH+]1CCC2(CC1)N[C@H](c1ccco1)CCO2 ZINC000757151361 582536131 /nfs/dbraw/zinc/53/61/31/582536131.db2.gz QKEGDSQGSWHGLJ-NSHDSACASA-N 1 0 236.315 1.753 10 0 BDAERO Cc1ccoc1CSCCC[C@@H](O)C[NH3+] ZINC000757163267 582544578 /nfs/dbraw/zinc/54/45/78/582544578.db2.gz DBQKTMPSXDVSNW-SNVBAGLBSA-N 1 0 229.345 1.921 10 0 BDAERO CCc1ccc(CSC[C@](C)(O)C[NH3+])o1 ZINC000757169042 582549231 /nfs/dbraw/zinc/54/92/31/582549231.db2.gz FSXDNRWDNIWXHX-LLVKDONJSA-N 1 0 229.345 1.785 10 0 BDAERO COC(=O)[C@@H](C[NH3+])SCc1ccc(Cl)o1 ZINC000757170175 582550156 /nfs/dbraw/zinc/55/01/56/582550156.db2.gz ONXXTGVNCAHXID-SSDOTTSWSA-N 1 0 249.719 1.667 10 0 BDAERO CCOC(=O)C1(c2ccc(N)cc2)CC([NH3+])C1 ZINC000757177472 582552372 /nfs/dbraw/zinc/55/23/72/582552372.db2.gz LMWXFYDCYQQDNU-UHFFFAOYSA-N 1 0 234.299 1.191 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc[nH]1 ZINC000757192187 582556389 /nfs/dbraw/zinc/55/63/89/582556389.db2.gz VXOAZKWLOCICNJ-VHSXEESVSA-N 1 0 236.315 1.659 10 0 BDAERO Cc1nn(-c2cccc(C)n2)cc1C(N)=[NH2+] ZINC000757195830 582558153 /nfs/dbraw/zinc/55/81/53/582558153.db2.gz KIKAWRBGYVGVGU-UHFFFAOYSA-N 1 0 215.260 1.168 10 0 BDAERO [NH3+]C[C@@H]1C[NH2+]C[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757213272 582560702 /nfs/dbraw/zinc/56/07/02/582560702.db2.gz JCAHHMWMKFQLRZ-BXKDBHETSA-N 1 0 234.299 1.037 10 0 BDAERO CC(=O)c1ccc([C@@H]2NC[C@H](C)C[C@@H]2[NH3+])cc1 ZINC000757218524 582562884 /nfs/dbraw/zinc/56/28/84/582562884.db2.gz VNMFEAOOVKQPST-IIMNLJJBSA-N 1 0 232.327 1.887 10 0 BDAERO Cc1ccsc1[C@@H]1CCNC2=[NH+]CCN21 ZINC000235799687 582611056 /nfs/dbraw/zinc/61/10/56/582611056.db2.gz STMISZLPHVQTTQ-VIFPVBQESA-N 1 0 221.329 1.763 10 0 BDAERO Cc1ccc([C@@H]2CC[NH+]=C(N)N2)c(C)c1 ZINC000235881718 582618476 /nfs/dbraw/zinc/61/84/76/582618476.db2.gz OUSTWCWCKPADAE-NSHDSACASA-N 1 0 203.289 1.653 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@@H]2[C@H]1CCOC1 ZINC000236045395 582637564 /nfs/dbraw/zinc/63/75/64/582637564.db2.gz OFQZSJSQGJJEQM-VHSXEESVSA-N 1 0 207.277 1.585 10 0 BDAERO Cn1cc([C@@H]2CCNc3[nH+]ccn32)cn1 ZINC000236108630 582638587 /nfs/dbraw/zinc/63/85/87/582638587.db2.gz VAYKMYDXTAEILG-VIFPVBQESA-N 1 0 203.249 1.022 10 0 BDAERO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1)C(N)=O ZINC000107323273 582805091 /nfs/dbraw/zinc/80/50/91/582805091.db2.gz XXHVMMRVTQARIJ-NSHDSACASA-N 1 0 240.734 1.940 10 0 BDAERO CCOC(=O)c1cccc2c1C[NH2+]CCO2 ZINC000260099917 582875438 /nfs/dbraw/zinc/87/54/38/582875438.db2.gz ONYJHCSYLPBVIB-UHFFFAOYSA-N 1 0 221.256 1.345 10 0 BDAERO Cc1cc(N)nc(NC[C@@H](O)C(C)(C)C)[nH+]1 ZINC000892503013 582899499 /nfs/dbraw/zinc/89/94/99/582899499.db2.gz ZRPWHGBZMMBCFI-MRVPVSSYSA-N 1 0 224.308 1.186 10 0 BDAERO O=C(C[C@H]1CCCC[NH2+]1)C1(Cl)CC1 ZINC000702362346 582925771 /nfs/dbraw/zinc/92/57/71/582925771.db2.gz PEXIVFXQXMPQQU-MRVPVSSYSA-N 1 0 201.697 1.859 10 0 BDAERO C[C@H](Cn1cc[nH+]c1N)c1ccccn1 ZINC000702653040 582926490 /nfs/dbraw/zinc/92/64/90/582926490.db2.gz CPFKYVACPOWNAT-SECBINFHSA-N 1 0 202.261 1.664 10 0 BDAERO Nc1[nH+]ccn1[C@H]1CCOC2(CCC2)C1 ZINC000702459351 582926769 /nfs/dbraw/zinc/92/67/69/582926769.db2.gz HJWAVEUUNLJZIJ-VIFPVBQESA-N 1 0 207.277 1.740 10 0 BDAERO COCC1(COC)[NH2+]CCc2sccc21 ZINC000702607746 582927204 /nfs/dbraw/zinc/92/72/04/582927204.db2.gz GBLNPNRJDDOFSS-UHFFFAOYSA-N 1 0 227.329 1.382 10 0 BDAERO c1cc2c(o1)[C@@]1(CN3CCC1CC3)[NH2+]CC2 ZINC000703133149 582931767 /nfs/dbraw/zinc/93/17/67/582931767.db2.gz XCYHKUXYQAVVKA-ZDUSSCGKSA-N 1 0 218.300 1.346 10 0 BDAERO CCN1CC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397309825 583099525 /nfs/dbraw/zinc/09/95/25/583099525.db2.gz RMPPLWUUSVNULK-LBPRGKRZSA-N 1 0 222.357 1.815 10 0 BDAERO CC[C@@H]1CN(C[C@H]2CC[NH2+]2)C[C@@H](CC)O1 ZINC000398624601 583156091 /nfs/dbraw/zinc/15/60/91/583156091.db2.gz IKIUAOKHSKXRNC-IJLUTSLNSA-N 1 0 212.337 1.238 10 0 BDAERO C[C@@H](C(=O)N1CC[C@H](CC[NH3+])C1)C(C)(C)C ZINC000399012465 583169122 /nfs/dbraw/zinc/16/91/22/583169122.db2.gz AJZFDVNUUROMSB-QWRGUYRKSA-N 1 0 226.364 1.866 10 0 BDAERO CC(C)n1nccc1[C@H]1OCC[C@H]1C[NH3+] ZINC000399822481 583210162 /nfs/dbraw/zinc/21/01/62/583210162.db2.gz XIPHJERSRVHYKP-ONGXEEELSA-N 1 0 209.293 1.500 10 0 BDAERO Cc1cc(F)ccc1CN1CC[C@H]1C[NH3+] ZINC000757146807 586428978 /nfs/dbraw/zinc/42/89/78/586428978.db2.gz RRCBTHKZNNGMRZ-LBPRGKRZSA-N 1 0 208.280 1.667 10 0 BDAERO CC(C)(C)[C@@H]1C[NH2+][C@@]2(CN3CCC2CC3)OC1 ZINC000757153214 586429391 /nfs/dbraw/zinc/42/93/91/586429391.db2.gz UHWUQFGBTVJIKN-OCCSQVGLSA-N 1 0 238.375 1.690 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CS(=O)(=O)N(CC)CC ZINC000757154045 586429685 /nfs/dbraw/zinc/42/96/85/586429685.db2.gz UTOIOGTWIBRYFA-VHSXEESVSA-N 1 0 236.381 1.031 10 0 BDAERO NC(=O)[C@H]([NH3+])CCSCc1ccc(Cl)o1 ZINC000757162450 586432275 /nfs/dbraw/zinc/43/22/75/586432275.db2.gz DMTUFWVWISPTBX-SSDOTTSWSA-N 1 0 248.735 1.369 10 0 BDAERO Cc1ccoc1CSC[C@@]1(O)CC[NH2+]C1 ZINC000757166676 586432744 /nfs/dbraw/zinc/43/27/44/586432744.db2.gz RIYBQGYLURENLY-LLVKDONJSA-N 1 0 227.329 1.546 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@]2([NH3+])C[C@H]2C1 ZINC000757175253 586433197 /nfs/dbraw/zinc/43/31/97/586433197.db2.gz KVKXZCMOLBVQBH-JOYOIKCWSA-N 1 0 226.320 1.735 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@]12CCCOC2 ZINC000757184018 586433924 /nfs/dbraw/zinc/43/39/24/586433924.db2.gz GWBNMRQDURFYSA-GXFFZTMASA-N 1 0 241.331 1.344 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12CCOCC2 ZINC000757186266 586434763 /nfs/dbraw/zinc/43/47/63/586434763.db2.gz WWAQEPXNWGERKX-JTQLQIEISA-N 1 0 241.331 1.344 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccsc1 ZINC000757188879 586435261 /nfs/dbraw/zinc/43/52/61/586435261.db2.gz KZFQVCJTHOYHSC-UWVGGRQHSA-N 1 0 225.313 1.614 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ncccc1F ZINC000757192345 586435965 /nfs/dbraw/zinc/43/59/65/586435965.db2.gz YRUTZQLNOKLNNW-IUCAKERBSA-N 1 0 238.262 1.087 10 0 BDAERO [NH3+]C[C@H]1CC[NH2+][C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757208641 586437947 /nfs/dbraw/zinc/43/79/47/586437947.db2.gz AKAGHPRTAIRORE-CABZTGNLSA-N 1 0 234.299 1.384 10 0 BDAERO [NH3+]Cc1ccc([C@H]2CC[C@@H](C(=O)[O-])C[NH2+]2)cc1 ZINC000757207739 586438019 /nfs/dbraw/zinc/43/80/19/586438019.db2.gz BPMNMJGGUUKDRT-VXGBXAGGSA-N 1 0 234.299 1.271 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cccc(C(=O)[O-])c2)[NH2+]1 ZINC000757215194 586440311 /nfs/dbraw/zinc/44/03/11/586440311.db2.gz MSLZNFHSHVQSMC-WQAKAFBOSA-N 1 0 248.326 1.773 10 0 BDAERO [NH3+]CC[C@@H]1CC[C@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757216063 586440759 /nfs/dbraw/zinc/44/07/59/586440759.db2.gz OYEZZXAYJIWLQB-GXFFZTMASA-N 1 0 248.326 1.774 10 0 BDAERO COC(=O)[C@H]1CC[NH2+][C@@H](c2cccc(N)c2)C1 ZINC000757217915 586441684 /nfs/dbraw/zinc/44/16/84/586441684.db2.gz UANULVXZCCZGTP-CMPLNLGQSA-N 1 0 234.299 1.483 10 0 BDAERO CCOC(=O)[C@H]1CC[C@@H](c2cccc(N)c2)[NH2+]C1 ZINC000757217590 586441833 /nfs/dbraw/zinc/44/18/33/586441833.db2.gz SPLYMSZWEBWHQZ-AAEUAGOBSA-N 1 0 248.326 1.873 10 0 BDAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cnn(C(C)(C)C)c2)N1 ZINC000757228625 586442549 /nfs/dbraw/zinc/44/25/49/586442549.db2.gz DFAPWTAFLNKXTF-JLLWLGSASA-N 1 0 236.363 1.778 10 0 BDAERO Cc1cc(-c2cnnn2C)c(F)cc1[C@@H](C)[NH3+] ZINC000757564959 586461254 /nfs/dbraw/zinc/46/12/54/586461254.db2.gz FNGRYWYLLXIYQP-MRVPVSSYSA-N 1 0 234.278 1.949 10 0 BDAERO [NH3+]Cc1ccc(-c2cccc(F)c2C=O)nn1 ZINC000757570146 586462596 /nfs/dbraw/zinc/46/25/96/586462596.db2.gz APYMNLISLCEGBG-UHFFFAOYSA-N 1 0 231.230 1.554 10 0 BDAERO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000108147296 588441114 /nfs/dbraw/zinc/44/11/14/588441114.db2.gz NRXPCNUSSGXIMD-CABZTGNLSA-N 1 0 210.321 1.385 10 0 BDAERO Cn1ccnc1-c1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000122174896 589560639 /nfs/dbraw/zinc/56/06/39/589560639.db2.gz GOICHYNYKUXATF-BDAKNGLRSA-N 1 0 247.302 1.313 10 0 BDAERO CCOC(CN1C[C@@H](C)[C@H]([NH+](C)C)C1)OCC ZINC000124548675 590049620 /nfs/dbraw/zinc/04/96/20/590049620.db2.gz SPGHRPYMPRYKAH-VXGBXAGGSA-N 1 0 244.379 1.267 10 0 BDAERO C(c1noc([C@H]2CCC[NH2+]2)n1)[C@@H]1CCCO1 ZINC000021795142 590229956 /nfs/dbraw/zinc/22/99/56/590229956.db2.gz JLEXAAABAKATIM-DTWKUNHWSA-N 1 0 223.276 1.216 10 0 BDAERO Cc1c(C[NH2+]C[C@H](O)CC(C)C)cnn1C ZINC000126225366 590255108 /nfs/dbraw/zinc/25/51/08/590255108.db2.gz KFHYOASAHOFMHC-GFCCVEGCSA-N 1 0 225.336 1.225 10 0 BDAERO C[C@@H]1CN(c2cncc(Cl)n2)[C@H](C)C[NH2+]1 ZINC000126494492 590320897 /nfs/dbraw/zinc/32/08/97/590320897.db2.gz BTOKQDYDHQVOFM-HTQZYQBOSA-N 1 0 226.711 1.317 10 0 BDAERO c1ccc2c(c1)OC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000129264471 591272936 /nfs/dbraw/zinc/27/29/36/591272936.db2.gz VNAXNMHWMJBKRL-YPMHNXCESA-N 1 0 232.327 1.852 10 0 BDAERO CC1CC[NH+](CCNC(=O)n2ccnc2)CC1 ZINC000130001544 591428812 /nfs/dbraw/zinc/42/88/12/591428812.db2.gz LHBYAESLTQTCKH-UHFFFAOYSA-N 1 0 236.319 1.173 10 0 BDAERO [NH3+]CCCc1cnn(-c2ccc(O)cc2)c1 ZINC000213157966 591449280 /nfs/dbraw/zinc/44/92/80/591449280.db2.gz VWZARQYCZYXSFB-UHFFFAOYSA-N 1 0 217.272 1.469 10 0 BDAERO C[C@H](O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000213264228 591457279 /nfs/dbraw/zinc/45/72/79/591457279.db2.gz GPODKIWTZXLEAQ-CMPLNLGQSA-N 1 0 235.331 1.275 10 0 BDAERO C[C@H](O)c1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000213262491 591457658 /nfs/dbraw/zinc/45/76/58/591457658.db2.gz GPODKIWTZXLEAQ-JQWIXIFHSA-N 1 0 235.331 1.275 10 0 BDAERO CCCNC(=S)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000130400541 591463575 /nfs/dbraw/zinc/46/35/75/591463575.db2.gz KOSYGZYUGHOTFV-UWVGGRQHSA-N 1 0 229.393 1.153 10 0 BDAERO OC1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000219825358 592251120 /nfs/dbraw/zinc/25/11/20/592251120.db2.gz IEQAMUDXZSXPQL-MMVSWEMESA-N 1 0 213.321 1.183 10 0 BDAERO C[C@H]([NH3+])c1ccc(S(C)(=O)=O)c(F)c1 ZINC000071372337 592265999 /nfs/dbraw/zinc/26/59/99/592265999.db2.gz YJKUDHLKUJJLEE-LURJTMIESA-N 1 0 217.265 1.249 10 0 BDAERO C[NH+](C)[C@@H]1CCN(CC[C@@H](O)c2ccccc2)C1 ZINC000220286113 592299103 /nfs/dbraw/zinc/29/91/03/592299103.db2.gz HFAFTKBEVDTUDE-HUUCEWRRSA-N 1 0 248.370 1.746 10 0 BDAERO COc1cccc(-n2cc(C[NH3+])c(C)n2)c1 ZINC000221171387 592398710 /nfs/dbraw/zinc/39/87/10/592398710.db2.gz NHSYPVDZVVVTIA-UHFFFAOYSA-N 1 0 217.272 1.648 10 0 BDAERO COC[C@H](C[NH2+]CCc1ccccc1)OC ZINC000221265416 592403397 /nfs/dbraw/zinc/40/33/97/592403397.db2.gz YDSGJFWDYKSAHF-ZDUSSCGKSA-N 1 0 223.316 1.480 10 0 BDAERO C[C@H]1CN(Cc2cccnc2Cl)C[C@H]1[NH3+] ZINC000300047458 592500987 /nfs/dbraw/zinc/50/09/87/592500987.db2.gz DTAHWHQLCYRVLH-WCBMZHEXSA-N 1 0 225.723 1.514 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccncc2)no1 ZINC000092939242 634382254 /nfs/dbraw/zinc/38/22/54/634382254.db2.gz GVLBUWGDECYWQP-ONGXEEELSA-N 1 0 244.298 1.521 10 0 BDAERO COC(=O)[C@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000299936033 634402187 /nfs/dbraw/zinc/40/21/87/634402187.db2.gz IJLFNOYSDOWEIC-YPMHNXCESA-N 1 0 248.326 1.631 10 0 BDAERO COc1ccc2oc(N(C)CC[NH3+])nc2c1 ZINC000212438039 634500437 /nfs/dbraw/zinc/50/04/37/634500437.db2.gz JATKQKOEIKUXDE-UHFFFAOYSA-N 1 0 221.260 1.231 10 0 BDAERO CS[C@@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000225812615 635419185 /nfs/dbraw/zinc/41/91/85/635419185.db2.gz HZCOIGDHRLTYNL-HBNTYKKESA-N 1 0 244.404 1.760 10 0 BDAERO CCCCOC(=O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226081864 635423252 /nfs/dbraw/zinc/42/32/52/635423252.db2.gz FQVKUPHSMKDJQQ-NEPJUHHUSA-N 1 0 242.363 1.212 10 0 BDAERO CC1(C)C[C@H]1c1noc(C[C@@H]2CC[NH2+]C2)n1 ZINC000232860722 635516232 /nfs/dbraw/zinc/51/62/32/635516232.db2.gz SUNDOXNMZZCOPS-IUCAKERBSA-N 1 0 221.304 1.735 10 0 BDAERO Cc1nn(C)c(Cl)c1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235339648 635573339 /nfs/dbraw/zinc/57/33/39/635573339.db2.gz SZFDCIHJZUSBDB-XCBNKYQSSA-N 1 0 242.754 1.161 10 0 BDAERO C[NH2+]CCc1noc(-c2ccccc2O)n1 ZINC000257953216 631320803 /nfs/dbraw/zinc/32/08/03/631320803.db2.gz IRCLOYSRSWOOLG-UHFFFAOYSA-N 1 0 219.244 1.204 10 0 BDAERO COc1ccc(CC[NH2+]C(C)(C)CO)cc1 ZINC000082551644 631404232 /nfs/dbraw/zinc/40/42/32/631404232.db2.gz DMLPJWVFJSQSSG-UHFFFAOYSA-N 1 0 223.316 1.598 10 0 BDAERO CC(C)(C)Cc1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000082673332 631409917 /nfs/dbraw/zinc/40/99/17/631409917.db2.gz VALVXOSFZIQECN-SECBINFHSA-N 1 0 223.320 1.953 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(C2CCOCC2)no1 ZINC000087810582 631483452 /nfs/dbraw/zinc/48/34/52/631483452.db2.gz VBNIIFCENPPBKO-PSASIEDQSA-N 1 0 237.303 1.287 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1cnn(C(C)C)c1 ZINC000234529725 631567930 /nfs/dbraw/zinc/56/79/30/631567930.db2.gz WKLAUHZIOWHEOC-SECBINFHSA-N 1 0 211.265 1.027 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](CCOCC(C)C)C[C@@H]1C ZINC000234540313 631572402 /nfs/dbraw/zinc/57/24/02/631572402.db2.gz MMMKSLPQPCNCBH-NWDGAFQWSA-N 1 0 243.347 1.400 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)[C@H](C)O ZINC000309041707 631825293 /nfs/dbraw/zinc/82/52/93/631825293.db2.gz LPBNORWTSCFQHT-VGMNWLOBSA-N 1 0 212.268 1.641 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cccnc1Cl ZINC000309049413 631826200 /nfs/dbraw/zinc/82/62/00/631826200.db2.gz ORMKEEOTHKVCBM-SCZZXKLOSA-N 1 0 225.723 1.657 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)n(C)n1 ZINC000309057671 631833321 /nfs/dbraw/zinc/83/33/21/631833321.db2.gz VCVQOCFGBXLGLQ-GUBZILKMSA-N 1 0 211.309 1.148 10 0 BDAERO C[NH2+]CCc1noc([C@H](OC)c2ccccc2)n1 ZINC000051850579 631963816 /nfs/dbraw/zinc/96/38/16/631963816.db2.gz OXERPYLBNABQQE-GFCCVEGCSA-N 1 0 247.298 1.567 10 0 BDAERO CCCCCCOCC(=O)NCC[C@@H](C)[NH3+] ZINC000178691110 632027888 /nfs/dbraw/zinc/02/78/88/632027888.db2.gz JOJIRQZCAUYSOT-LLVKDONJSA-N 1 0 230.352 1.437 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000091526056 632053971 /nfs/dbraw/zinc/05/39/71/632053971.db2.gz PCYCMOHCVSNLMZ-UHFFFAOYSA-N 1 0 240.253 1.432 10 0 BDAERO CC(C)CNC(=[NH2+])NCC[C@H]1CCCO1 ZINC000052043103 632054782 /nfs/dbraw/zinc/05/47/82/632054782.db2.gz RSIQZAPWVLWBJO-SNVBAGLBSA-N 1 0 213.325 1.325 10 0 BDAERO C[NH2+]CCc1noc(Cc2cccc(C)c2)n1 ZINC000052137758 632082595 /nfs/dbraw/zinc/08/25/95/632082595.db2.gz UIIFYFHTEABUFC-UHFFFAOYSA-N 1 0 231.299 1.731 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178787479 635703505 /nfs/dbraw/zinc/70/35/05/635703505.db2.gz XIZNWXMGJROVSY-OCCSQVGLSA-N 1 0 246.354 1.733 10 0 BDAERO C[C@@H]1CN([C@H]2C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000251836169 635707604 /nfs/dbraw/zinc/70/76/04/635707604.db2.gz PZRLPKYKBIJCPZ-BNOWGMLFSA-N 1 0 216.328 1.836 10 0 BDAERO C[C@@H](C[NH3+])c1noc(Cc2ccsc2)n1 ZINC000054158877 635776338 /nfs/dbraw/zinc/77/63/38/635776338.db2.gz IXSPZDHLVNFEFY-ZETCQYMHSA-N 1 0 223.301 1.784 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ncc[nH]1 ZINC000308915998 632429389 /nfs/dbraw/zinc/42/93/89/632429389.db2.gz BENYWOFPRGFVPF-LPEHRKFASA-N 1 0 209.293 1.364 10 0 BDAERO CSCC[C@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000157693374 632443424 /nfs/dbraw/zinc/44/34/24/632443424.db2.gz VBSFSIHTDBLQSC-UWVGGRQHSA-N 1 0 230.377 1.244 10 0 BDAERO C[C@@H](CNC(=O)C1([NH3+])CCOCC1)C(C)(C)C ZINC000162066163 632507788 /nfs/dbraw/zinc/50/77/88/632507788.db2.gz PXCPBKPLJCECCT-JTQLQIEISA-N 1 0 242.363 1.293 10 0 BDAERO CCS[C@H](C)c1noc(C[C@@H](C)[NH3+])n1 ZINC000309134095 632645702 /nfs/dbraw/zinc/64/57/02/632645702.db2.gz RRMSXSMBNPYBLI-RNFRBKRXSA-N 1 0 215.322 1.773 10 0 BDAERO C[C@@H]1COCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000309731410 632661179 /nfs/dbraw/zinc/66/11/79/632661179.db2.gz FHEMKRPFTILKRY-RWMBFGLXSA-N 1 0 227.348 1.506 10 0 BDAERO C/C=C(\C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309751989 632664935 /nfs/dbraw/zinc/66/49/35/632664935.db2.gz GYDPJGFFASHOEY-UVMVAUNBSA-N 1 0 208.305 1.148 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CO)no1 ZINC000309871791 632677919 /nfs/dbraw/zinc/67/79/19/632677919.db2.gz QXKCOVHJBSBIPL-ZYHUDNBSSA-N 1 0 224.304 1.624 10 0 BDAERO O=C(/C=C\c1ccccc1)NC[C@H]1CC[NH2+]C1 ZINC000310022851 632694313 /nfs/dbraw/zinc/69/43/13/632694313.db2.gz BCCODHHGOJSZMF-FWWRYZNZSA-N 1 0 230.311 1.426 10 0 BDAERO CC(C)(C)NC(=[NH2+])NCC[C@@H]1CCCO1 ZINC000052043099 632782354 /nfs/dbraw/zinc/78/23/54/632782354.db2.gz ADBLIDHYSRAAFP-VIFPVBQESA-N 1 0 213.325 1.468 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000339399218 635849307 /nfs/dbraw/zinc/84/93/07/635849307.db2.gz HIRGXAOXFFZMFS-JGVFFNPUSA-N 1 0 229.707 1.905 10 0 BDAERO C[C@H](C[NH3+])c1noc(CSC(F)(F)F)n1 ZINC000309384737 633002276 /nfs/dbraw/zinc/00/22/76/633002276.db2.gz DWJQHIAPOUOFND-SCSAIBSYSA-N 1 0 241.238 1.885 10 0 BDAERO C[NH+]1CCC(CCNC(=O)n2ccnc2)CC1 ZINC000229951233 633004420 /nfs/dbraw/zinc/00/44/20/633004420.db2.gz GIWOKSLRDSREIO-UHFFFAOYSA-N 1 0 236.319 1.173 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@H](O)CC1CCCC1 ZINC000299992754 635894633 /nfs/dbraw/zinc/89/46/33/635894633.db2.gz BXBLLXDPOIYWBL-QWHCGFSZSA-N 1 0 226.364 1.351 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CC(C)(C)OC2(C)C ZINC000166450762 633113269 /nfs/dbraw/zinc/11/32/69/633113269.db2.gz QYOWGGSUKXXHLF-ZANVPECISA-N 1 0 241.331 1.343 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)ccc1C ZINC000166472870 633113984 /nfs/dbraw/zinc/11/39/84/633113984.db2.gz AEIMPTGZLSFHRU-OLZOCXBDSA-N 1 0 233.311 1.779 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000166589012 633117332 /nfs/dbraw/zinc/11/73/32/633117332.db2.gz CHFKVMNETSUOJD-CHWSQXEVSA-N 1 0 233.311 1.861 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000166589354 633117454 /nfs/dbraw/zinc/11/74/54/633117454.db2.gz CHFKVMNETSUOJD-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1C ZINC000166615449 633118737 /nfs/dbraw/zinc/11/87/37/633118737.db2.gz GPEYFCSFEXWRCC-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CC1(Cl)Cl ZINC000178661802 633129378 /nfs/dbraw/zinc/12/93/78/633129378.db2.gz RZMIZOFLYWVMCB-RITPCOANSA-N 1 0 225.119 1.034 10 0 BDAERO CC(C)OC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000309750604 633236657 /nfs/dbraw/zinc/23/66/57/633236657.db2.gz ZEEOJASMNIRPAC-VHSXEESVSA-N 1 0 214.309 1.556 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000328405541 633763849 /nfs/dbraw/zinc/76/38/49/633763849.db2.gz STRVDPNAZRJBLR-DJLDLDEBSA-N 1 0 223.238 1.784 10 0 BDAERO CS[C@H](C)CCc1nc([C@H](C)C[NH3+])no1 ZINC000309472323 633924791 /nfs/dbraw/zinc/92/47/91/633924791.db2.gz RFRUUXOOKMFNNQ-HTQZYQBOSA-N 1 0 229.349 1.816 10 0 BDAERO CCCCOC(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183132767 633968984 /nfs/dbraw/zinc/96/89/84/633968984.db2.gz VCSHNMCLGLVWIZ-VXGBXAGGSA-N 1 0 243.347 1.877 10 0 BDAERO C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)[C@H]1CCCO1 ZINC000035734951 634075929 /nfs/dbraw/zinc/07/59/29/634075929.db2.gz WHXJXFZNJUWXQJ-RAIGVLPGSA-N 1 0 248.326 1.370 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cnn(C)n1 ZINC000310020468 634077994 /nfs/dbraw/zinc/07/79/94/634077994.db2.gz NAXDHGBNTKDNIL-ZYHUDNBSSA-N 1 0 222.336 1.874 10 0 BDAERO C[C@H](NC(=O)CCCCC[NH3+])[C@H]1CCCO1 ZINC000035734974 634079298 /nfs/dbraw/zinc/07/92/98/634079298.db2.gz AHMJSSKNBDXHLD-WDEREUQCSA-N 1 0 228.336 1.189 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000310020467 634079332 /nfs/dbraw/zinc/07/93/32/634079332.db2.gz NAXDHGBNTKDNIL-PWSUYJOCSA-N 1 0 222.336 1.874 10 0 BDAERO C[C@H]([NH3+])CNC(=O)[C@@H](C)Cc1ccccc1 ZINC000194847510 634338223 /nfs/dbraw/zinc/33/82/23/634338223.db2.gz YZSUNJMTSWXWNU-QWRGUYRKSA-N 1 0 220.316 1.329 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NCc1cn(C)cn1 ZINC000310130541 635166926 /nfs/dbraw/zinc/16/69/26/635166926.db2.gz KOYOEOVMGSMAJV-GFCCVEGCSA-N 1 0 238.379 1.486 10 0 BDAERO C[C@H]([NH2+]C1CCN(CCO)CC1)c1ccccn1 ZINC000399046157 635206085 /nfs/dbraw/zinc/20/60/85/635206085.db2.gz UQTVETTWUSVCHO-LBPRGKRZSA-N 1 0 249.358 1.189 10 0 BDAERO CC(C)(O)C[NH2+]CC(C)(C)C1CCOCC1 ZINC000258840930 635211708 /nfs/dbraw/zinc/21/17/08/635211708.db2.gz MXOMQFRBBLZDSO-UHFFFAOYSA-N 1 0 229.364 1.800 10 0 BDAERO C[C@@H](Nc1cc[nH+]c2ccccc12)[C@H](C)O ZINC000336776339 635286755 /nfs/dbraw/zinc/28/67/55/635286755.db2.gz FOSDVKKZAUIEPE-ZJUUUORDSA-N 1 0 216.284 1.838 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCCc2cc(C)ccc21 ZINC000054071775 635345156 /nfs/dbraw/zinc/34/51/56/635345156.db2.gz YLDRWNZCUKBTIX-LLVKDONJSA-N 1 0 232.327 1.882 10 0 BDAERO C[C@@H]1CN(C[C@@H]2COc3ccccc3O2)C[C@@H]1[NH3+] ZINC000235388268 635575860 /nfs/dbraw/zinc/57/58/60/635575860.db2.gz QTYGXQQAIUHTQG-UTUOFQBUSA-N 1 0 248.326 1.105 10 0 BDAERO C[C@H](C[NH3+])c1noc(Cc2ccc(F)cc2)n1 ZINC000054158580 635775188 /nfs/dbraw/zinc/77/51/88/635775188.db2.gz QGFKBEBBVJFROI-MRVPVSSYSA-N 1 0 235.262 1.862 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)/C=C\c3ccco3)C[C@@H]12 ZINC000310869583 636681165 /nfs/dbraw/zinc/68/11/65/636681165.db2.gz TWZLIUWPJFUOGC-ROMGXJFZSA-N 1 0 246.310 1.489 10 0 BDAERO CCON1CCC([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000323122393 636901382 /nfs/dbraw/zinc/90/13/82/636901382.db2.gz LTOFFNQFSQQPTA-DGCLKSJQSA-N 1 0 242.363 1.559 10 0 BDAERO COc1ccccc1[C@H]1CC[NH+]=C(N)N1 ZINC000149783137 639138036 /nfs/dbraw/zinc/13/80/36/639138036.db2.gz ZFGAXSJSPNLPKR-SECBINFHSA-N 1 0 205.261 1.044 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1cccnc1OC ZINC000037030639 711479864 /nfs/dbraw/zinc/47/98/64/711479864.db2.gz QWDLNKDSPYIBQE-QMMMGPOBSA-N 1 0 223.276 1.156 10 0 BDAERO CC(C)c1nc(C[NH2+]C2CCCC2)n(C)n1 ZINC000054698006 640306632 /nfs/dbraw/zinc/30/66/32/640306632.db2.gz RQFUOIQZJJGGIJ-UHFFFAOYSA-N 1 0 222.336 1.971 10 0 BDAERO CC(C)Cc1nc([C@H]2CCC[NH2+]C2)n(C)n1 ZINC000054699006 640319361 /nfs/dbraw/zinc/31/93/61/640319361.db2.gz ONQINCZBIYOUMN-JTQLQIEISA-N 1 0 222.336 1.481 10 0 BDAERO CC(C)Cc1nc(C[C@H]2CCC[NH2+]2)n(C)n1 ZINC000054699055 640322284 /nfs/dbraw/zinc/32/22/84/640322284.db2.gz BQQZPEVTVCJCIL-SNVBAGLBSA-N 1 0 222.336 1.308 10 0 BDAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)[C@@H](C)O)o1 ZINC000349328794 640512452 /nfs/dbraw/zinc/51/24/52/640512452.db2.gz HMCKAMRYRWCNBQ-NXEZZACHSA-N 1 0 249.314 1.837 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](C)O)cc1 ZINC000349332673 640513695 /nfs/dbraw/zinc/51/36/95/640513695.db2.gz OGNDJJJRFAMZKE-NXEZZACHSA-N 1 0 237.299 1.332 10 0 BDAERO Cc1occc1-c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000165605377 640587501 /nfs/dbraw/zinc/58/75/01/640587501.db2.gz OYVRYUXMQHUCLS-GMSGAONNSA-N 1 0 233.271 1.961 10 0 BDAERO C[C@@H]1COC[C@@H]([C@@H]2CCCCCC2=O)[NH2+]1 ZINC000166233716 640622470 /nfs/dbraw/zinc/62/24/70/640622470.db2.gz XKEIRTQADYNULJ-VWYCJHECSA-N 1 0 211.305 1.513 10 0 BDAERO COc1cccc2c1[C@@H](C[NH3+])CC(=O)N2 ZINC000057938346 640650352 /nfs/dbraw/zinc/65/03/52/640650352.db2.gz MFUZPEKLXUMSNR-SSDOTTSWSA-N 1 0 206.245 1.080 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCC(C)(C)SC ZINC000157668335 640709754 /nfs/dbraw/zinc/70/97/54/640709754.db2.gz ONNBVOVTMVTOAC-QMMMGPOBSA-N 1 0 218.366 1.372 10 0 BDAERO CC(C)Cc1nc(C2CC[NH2+]CC2)n(C)n1 ZINC000054698983 640711017 /nfs/dbraw/zinc/71/10/17/640711017.db2.gz SEQKYQRSKUTNQQ-UHFFFAOYSA-N 1 0 222.336 1.481 10 0 BDAERO CSCC[C@@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000157693500 640729163 /nfs/dbraw/zinc/72/91/63/640729163.db2.gz VBSFSIHTDBLQSC-ZJUUUORDSA-N 1 0 230.377 1.244 10 0 BDAERO CCCCN1CC2(CC[NH2+]CC2)OC1=O ZINC000059683488 640823637 /nfs/dbraw/zinc/82/36/37/640823637.db2.gz UFQBKGBEUMLQAC-UHFFFAOYSA-N 1 0 212.293 1.361 10 0 BDAERO COC(C)(C)CC[NH2+]Cc1cnn(C)c1C ZINC000227515069 640837978 /nfs/dbraw/zinc/83/79/78/640837978.db2.gz DEVFWDRJXBGZCG-UHFFFAOYSA-N 1 0 225.336 1.633 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(C2(C)CC2)no1 ZINC000087554236 640925944 /nfs/dbraw/zinc/92/59/44/640925944.db2.gz VTEOEVLLSIKJDY-QMMMGPOBSA-N 1 0 209.293 1.647 10 0 BDAERO C[C@H](O)C(C)(C)[NH2+]CCc1ccccc1 ZINC000229156547 640929024 /nfs/dbraw/zinc/92/90/24/640929024.db2.gz JBJCNHDCHNQYCG-NSHDSACASA-N 1 0 207.317 1.978 10 0 BDAERO c1nc(-c2noc([C@@H]3CC[NH2+]C3)n2)cs1 ZINC000087588784 640933670 /nfs/dbraw/zinc/93/36/70/640933670.db2.gz LQZZSHZEYGZZFX-ZCFIWIBFSA-N 1 0 222.273 1.270 10 0 BDAERO CC[C@@H]1CCCC[C@]12C[NH2+]C[C@@H]2C(=O)OC ZINC000229209143 640934491 /nfs/dbraw/zinc/93/44/91/640934491.db2.gz IFDHKDLWGFNQEB-WZRBSPASSA-N 1 0 225.332 1.965 10 0 BDAERO CC(C)[C@H](C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000230212934 641038180 /nfs/dbraw/zinc/03/81/80/641038180.db2.gz MWFCMAGPCOKQDE-UWVGGRQHSA-N 1 0 201.310 1.772 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc([C@H]2CCCOC2)no1 ZINC000087815841 641053910 /nfs/dbraw/zinc/05/39/10/641053910.db2.gz IJLUNWIWDOZWIB-VHSXEESVSA-N 1 0 239.319 1.489 10 0 BDAERO c1ccc2c(c1)C[NH2+]CCN2C[C@H]1CCCO1 ZINC000062615565 641067618 /nfs/dbraw/zinc/06/76/18/641067618.db2.gz NCFFTBGXOZWTSF-CYBMUJFWSA-N 1 0 232.327 1.775 10 0 BDAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1N ZINC000062964207 641115699 /nfs/dbraw/zinc/11/56/99/641115699.db2.gz JWYQPDIMSPHAST-LBPRGKRZSA-N 1 0 247.342 1.353 10 0 BDAERO CCn1cc(Cl)cc1C(=O)NCC[C@@H](C)[NH3+] ZINC000063169950 641143077 /nfs/dbraw/zinc/14/30/77/641143077.db2.gz HFOBXHZAFOTYEC-MRVPVSSYSA-N 1 0 243.738 1.629 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)C[C@@H]([NH3+])C2CC2)o1 ZINC000231744610 641201348 /nfs/dbraw/zinc/20/13/48/641201348.db2.gz BNXGQIYFQWGAQG-WCBMZHEXSA-N 1 0 237.303 1.288 10 0 BDAERO COC1CC([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000307954235 641206544 /nfs/dbraw/zinc/20/65/44/641206544.db2.gz ZHGNVJNKABJOOF-WTIBDHCWSA-N 1 0 227.226 1.067 10 0 BDAERO C[NH2+][C@H](C)c1nc(-c2ccc(O)c(F)c2)no1 ZINC000232348771 641265962 /nfs/dbraw/zinc/26/59/62/641265962.db2.gz UFWRCVJKFXCBCF-ZCFIWIBFSA-N 1 0 237.234 1.862 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(F)F ZINC000232634477 641308120 /nfs/dbraw/zinc/30/81/20/641308120.db2.gz ROYOFPBAURZQNN-MRVPVSSYSA-N 1 0 222.279 1.344 10 0 BDAERO C[C@H]1CN(c2cc[nH+]cc2CO)C[C@H](C)O1 ZINC000088110088 641315304 /nfs/dbraw/zinc/31/53/04/641315304.db2.gz JCHRFNIYQXNWAZ-UWVGGRQHSA-N 1 0 222.288 1.188 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ncnc2c1CCC2 ZINC000089092205 641427999 /nfs/dbraw/zinc/42/79/99/641427999.db2.gz XLPNPFTYJYIGPM-ONGXEEELSA-N 1 0 232.331 1.505 10 0 BDAERO CC(C)=CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155488335 641572242 /nfs/dbraw/zinc/57/22/42/641572242.db2.gz FOARBQBUSUWFCA-RYUDHWBXSA-N 1 0 224.348 1.798 10 0 BDAERO COCCCCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089397119 641687217 /nfs/dbraw/zinc/68/72/17/641687217.db2.gz LDMLAZHXVLMKLL-NWDGAFQWSA-N 1 0 242.363 1.294 10 0 BDAERO CCCCOC(=O)CC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190866055 641891856 /nfs/dbraw/zinc/89/18/56/641891856.db2.gz BADMCDRAIANRLK-NEPJUHHUSA-N 1 0 243.347 1.280 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]2c3cccn3CCN12 ZINC000409434531 642337450 /nfs/dbraw/zinc/33/74/50/642337450.db2.gz XTEOLIBZDIMGCF-ZYHUDNBSSA-N 1 0 205.305 1.356 10 0 BDAERO CN(CC1([NH+](C)C)CCC1)C(=O)n1ccnc1 ZINC000097936300 642641969 /nfs/dbraw/zinc/64/19/69/642641969.db2.gz VZEGNUGUSLWTRO-UHFFFAOYSA-N 1 0 236.319 1.267 10 0 BDAERO CC[NH+](CC)[C@@H](C)CNC(=O)C1=COCCC1 ZINC000068514946 642779706 /nfs/dbraw/zinc/77/97/06/642779706.db2.gz IVQSIEQAEJTOCW-NSHDSACASA-N 1 0 240.347 1.527 10 0 BDAERO C[NH2+]CCc1noc([C@H]2CCSC2)n1 ZINC000070004925 642950039 /nfs/dbraw/zinc/95/00/39/642950039.db2.gz BXKWVRWDHXMGQL-ZETCQYMHSA-N 1 0 213.306 1.052 10 0 BDAERO CC(C)[NH2+]CC(=O)N[C@@H]1COc2ccccc21 ZINC000070530575 643033978 /nfs/dbraw/zinc/03/39/78/643033978.db2.gz GNVBIXHUQXWNDP-LLVKDONJSA-N 1 0 234.299 1.234 10 0 BDAERO CC(C)([NH3+])CCC(=O)N[C@@H]1COc2ccccc21 ZINC000070530653 643034097 /nfs/dbraw/zinc/03/40/97/643034097.db2.gz ZADHOLXOXNFLOO-LLVKDONJSA-N 1 0 248.326 1.754 10 0 BDAERO CC(C)([NH3+])CCC(=O)N[C@H]1COc2ccccc21 ZINC000070530654 643034198 /nfs/dbraw/zinc/03/41/98/643034198.db2.gz ZADHOLXOXNFLOO-NSHDSACASA-N 1 0 248.326 1.754 10 0 BDAERO CCOC(=O)CCCCC[NH2+]C(C)(C)CO ZINC000070597126 643045996 /nfs/dbraw/zinc/04/59/96/643045996.db2.gz JBSHXVKHNVAKIX-UHFFFAOYSA-N 1 0 231.336 1.470 10 0 BDAERO CC(C)Oc1cncc(N[C@@H](C)C[NH3+])n1 ZINC000070652153 643053940 /nfs/dbraw/zinc/05/39/40/643053940.db2.gz GOVHENNIENMFNX-QMMMGPOBSA-N 1 0 210.281 1.023 10 0 BDAERO COC(=O)[C@@](C)([NH3+])CCn1ncc(Cl)c1C ZINC000070704378 643062694 /nfs/dbraw/zinc/06/26/94/643062694.db2.gz QYPWNFINJRVQOI-JTQLQIEISA-N 1 0 245.710 1.125 10 0 BDAERO CC[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000049645497 643154624 /nfs/dbraw/zinc/15/46/24/643154624.db2.gz RHEDOTZMJOATRZ-QWRGUYRKSA-N 1 0 248.392 1.092 10 0 BDAERO C[NH2+]Cc1sc(C(=O)C(F)(F)F)nc1C ZINC000757121964 643239256 /nfs/dbraw/zinc/23/92/56/643239256.db2.gz CNCVWNBZIRGCMR-UHFFFAOYSA-N 1 0 238.234 1.916 10 0 BDAERO c1ccc2c(c1)C[C@H]2C[N@@H+]1CCC2(C1)OCCO2 ZINC000306929827 643299019 /nfs/dbraw/zinc/29/90/19/643299019.db2.gz CPJWXIFIQMIBIV-ZDUSSCGKSA-N 1 0 245.322 1.775 10 0 BDAERO COc1ccc(N2C[C@@H](CC[NH3+])OC2=O)cc1 ZINC000082331562 643301635 /nfs/dbraw/zinc/30/16/35/643301635.db2.gz ZYFNZKXNCFBDQA-LLVKDONJSA-N 1 0 236.271 1.369 10 0 BDAERO C1CC1[C@@H]1C[NH2+][C@]2(CCCSC2)OC1 ZINC000757144135 643315884 /nfs/dbraw/zinc/31/58/84/643315884.db2.gz FZVVUJIENUOMOS-GHMZBOCLSA-N 1 0 213.346 1.856 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ccc(Br)cn1 ZINC000757151914 643342029 /nfs/dbraw/zinc/34/20/29/643342029.db2.gz XUSWLATVMOBMLG-MRVPVSSYSA-N 1 0 242.120 1.382 10 0 BDAERO CC(C)(C)OC(=O)[C@@]1(F)CCCC[C@@H]1[NH3+] ZINC000757182940 643356780 /nfs/dbraw/zinc/35/67/80/643356780.db2.gz MFTPVZGXPQECDH-GZMMTYOYSA-N 1 0 217.284 1.938 10 0 BDAERO COC(=O)/C=C1/CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000757190713 643362622 /nfs/dbraw/zinc/36/26/22/643362622.db2.gz CAKOPLABVIJFIH-QGNYPYLESA-N 1 0 209.289 1.638 10 0 BDAERO COc1ccc(C2(C[NH3+])CC(F)(F)C2)cn1 ZINC000757192638 643366656 /nfs/dbraw/zinc/36/66/56/643366656.db2.gz YOUIKCRXCLNJEA-UHFFFAOYSA-N 1 0 228.242 1.716 10 0 BDAERO [NH3+][C@H]1CC[NH2+][C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757211051 643369554 /nfs/dbraw/zinc/36/95/54/643369554.db2.gz FSVKAJBSHSPDRE-WDEREUQCSA-N 1 0 220.272 1.137 10 0 BDAERO C[C@@H]1N[C@H](c2ccc(C=O)s2)CC[C@@H]1[NH3+] ZINC000757211481 643370027 /nfs/dbraw/zinc/37/00/27/643370027.db2.gz HQMAJQIKZJGOFL-HGNGGELXSA-N 1 0 224.329 1.701 10 0 BDAERO C[C@@H]1N[C@@H](c2ccc(C=O)s2)CC[C@@H]1[NH3+] ZINC000757211531 643370542 /nfs/dbraw/zinc/37/05/42/643370542.db2.gz HQMAJQIKZJGOFL-UJNFCWOMSA-N 1 0 224.329 1.701 10 0 BDAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)n1ccnc1C ZINC000082800191 643382175 /nfs/dbraw/zinc/38/21/75/643382175.db2.gz KCEQRNYKPKXIKU-LDYMZIIASA-N 1 0 225.292 1.033 10 0 BDAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cc(C)cn1 ZINC000082800496 643382695 /nfs/dbraw/zinc/38/26/95/643382695.db2.gz NVLQQOMAHBNKEW-KOLCDFICSA-N 1 0 225.292 1.033 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(N)=O ZINC000307261874 643426815 /nfs/dbraw/zinc/42/68/15/643426815.db2.gz QZEVDMUJGBDSFL-PWSUYJOCSA-N 1 0 218.300 1.240 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1C[C@@H]1CCSC1 ZINC000307315874 643438693 /nfs/dbraw/zinc/43/86/93/643438693.db2.gz MQMORFOORFTUTK-GUBZILKMSA-N 1 0 218.341 1.111 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@H]2CC2(Cl)Cl)n1 ZINC000307312951 643438702 /nfs/dbraw/zinc/43/87/02/643438702.db2.gz GYKCXOACKYKEDZ-CRCLSJGQSA-N 1 0 236.102 1.793 10 0 BDAERO C[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)C[C@@H]1[NH3+] ZINC000307361388 643456011 /nfs/dbraw/zinc/45/60/11/643456011.db2.gz HKSHIDRSMZWYRW-VGMNWLOBSA-N 1 0 237.174 1.849 10 0 BDAERO Cl/C=C\C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000255153390 643520577 /nfs/dbraw/zinc/52/05/77/643520577.db2.gz BLWWVCBHCOBXLC-DGWOPVBCSA-N 1 0 230.739 1.145 10 0 BDAERO CCCc1nsc(N(C)C[C@@H](C)[NH3+])n1 ZINC000083675778 643542185 /nfs/dbraw/zinc/54/21/85/643542185.db2.gz VXPSHDYXNUCUFI-SSDOTTSWSA-N 1 0 214.338 1.274 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)n2ccnc2)C1 ZINC000045136352 643550324 /nfs/dbraw/zinc/55/03/24/643550324.db2.gz VHOGQIYOGRYXIR-LLVKDONJSA-N 1 0 236.319 1.171 10 0 BDAERO Cc1cc2n(n1)[C@@H]([C@@H]1CCC[NH2+]C1)CCN2 ZINC000235995722 643560806 /nfs/dbraw/zinc/56/08/06/643560806.db2.gz SNECQINVJBCZFT-GHMZBOCLSA-N 1 0 220.320 1.548 10 0 BDAERO Cc1nn2c(c1C)NC[C@H]1C[NH2+]CC[C@H]12 ZINC000236005196 643568030 /nfs/dbraw/zinc/56/80/30/643568030.db2.gz SSIDYWKBGOIUNF-NXEZZACHSA-N 1 0 206.293 1.076 10 0 BDAERO CCc1ncnc(NCC2CC([NH3+])C2)c1F ZINC000234187188 643573144 /nfs/dbraw/zinc/57/31/44/643573144.db2.gz RIWLKVQEHXUOAA-UHFFFAOYSA-N 1 0 224.283 1.327 10 0 BDAERO C[C@H](C1CC1)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000086929305 643643706 /nfs/dbraw/zinc/64/37/06/643643706.db2.gz QWSVKDSGWRYJJJ-DGCLKSJQSA-N 1 0 208.349 1.955 10 0 BDAERO CC(C)CCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301384 643658255 /nfs/dbraw/zinc/65/82/55/643658255.db2.gz DUHCMRGMJBOBEN-NEPJUHHUSA-N 1 0 226.364 1.914 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NC1CCCC1 ZINC000084301200 643658479 /nfs/dbraw/zinc/65/84/79/643658479.db2.gz XYJBZIKOEOJSQX-PWSUYJOCSA-N 1 0 224.348 1.810 10 0 BDAERO Nc1cccc([C@H]2CCNc3[nH+]ccn32)c1 ZINC000236387067 643660759 /nfs/dbraw/zinc/66/07/59/643660759.db2.gz CXRMQAVPCHFAJI-LLVKDONJSA-N 1 0 214.272 1.870 10 0 BDAERO [NH3+]C1CC(CNc2nc3ccccc3o2)C1 ZINC000084447674 643663818 /nfs/dbraw/zinc/66/38/18/643663818.db2.gz RPHHQWZOSBBRFZ-UHFFFAOYSA-N 1 0 217.272 1.977 10 0 BDAERO C[C@@H]1CCCN(C(=O)NCC2CC([NH3+])C2)C1 ZINC000085971283 643868992 /nfs/dbraw/zinc/86/89/92/643868992.db2.gz LXFHRICYTKDFRR-KPPDAEKUSA-N 1 0 225.336 1.165 10 0 BDAERO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000174559867 644258093 /nfs/dbraw/zinc/25/80/93/644258093.db2.gz YLPDXRZSEXUNEC-JQWIXIFHSA-N 1 0 224.348 1.631 10 0 BDAERO CC(C)[C@H]1C[NH2+]CCN1c1cccc(F)n1 ZINC000083352818 644403972 /nfs/dbraw/zinc/40/39/72/644403972.db2.gz PEIXOXVZJAFKJR-SNVBAGLBSA-N 1 0 223.295 1.655 10 0 BDAERO CC(C)[C@H]1CN(c2cccc(F)n2)CC[NH2+]1 ZINC000083352802 644404495 /nfs/dbraw/zinc/40/44/95/644404495.db2.gz YVLIKLFASCXQKE-SNVBAGLBSA-N 1 0 223.295 1.655 10 0 BDAERO CC[C@H](C)c1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000084380326 644422813 /nfs/dbraw/zinc/42/28/13/644422813.db2.gz BLYHEYXJWWAXNO-DTWKUNHWSA-N 1 0 209.293 1.735 10 0 BDAERO O[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085985492 644453659 /nfs/dbraw/zinc/45/36/59/644453659.db2.gz JEYYUVZSRQVUOE-SOUVJXGZSA-N 1 0 249.354 1.861 10 0 BDAERO C[NH2+]CCc1noc(-c2cc(OC)cs2)n1 ZINC000088032580 644508137 /nfs/dbraw/zinc/50/81/37/644508137.db2.gz NBVZXCGSUYDFRM-UHFFFAOYSA-N 1 0 239.300 1.569 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NC1CCOCC1 ZINC000089388572 644548984 /nfs/dbraw/zinc/54/89/84/644548984.db2.gz WNXBLMXHTWWURN-PWSUYJOCSA-N 1 0 240.347 1.047 10 0 BDAERO COc1ncccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089453215 644551328 /nfs/dbraw/zinc/55/13/28/644551328.db2.gz WZGSVBNKPZBBIH-VHSXEESVSA-N 1 0 249.314 1.404 10 0 BDAERO CC(C)[N@H+](CCn1cncn1)C[C@@H]1C[C@@H]1C ZINC000089922134 644570908 /nfs/dbraw/zinc/57/09/08/644570908.db2.gz TVRXGDUWXGRNAD-RYUDHWBXSA-N 1 0 222.336 1.645 10 0 BDAERO CC(C)[N@H+](CCn1cncn1)C[C@H]1C[C@@H]1C ZINC000089922130 644571330 /nfs/dbraw/zinc/57/13/30/644571330.db2.gz TVRXGDUWXGRNAD-NWDGAFQWSA-N 1 0 222.336 1.645 10 0 BDAERO CC(C)(C)[C@H](Cn1ccnc1)N[C@H]1CC[NH2+]C1 ZINC000094085820 644708428 /nfs/dbraw/zinc/70/84/28/644708428.db2.gz FKOXXKHMPFMPAJ-RYUDHWBXSA-N 1 0 236.363 1.249 10 0 BDAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000249074628 644711664 /nfs/dbraw/zinc/71/16/64/644711664.db2.gz ARNSEEIUQXMHOI-MGPQQGTHSA-N 1 0 238.375 1.997 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(CCC(F)(F)F)no1 ZINC000094492255 644718296 /nfs/dbraw/zinc/71/82/96/644718296.db2.gz XWNXGQFXZIKCCG-RNFRBKRXSA-N 1 0 249.236 1.887 10 0 BDAERO C[C@@H](NC(=O)NC1CCCC1)C1CC[NH2+]CC1 ZINC000094890503 644732220 /nfs/dbraw/zinc/73/22/20/644732220.db2.gz VTJKBEFSSBONLC-SNVBAGLBSA-N 1 0 239.363 1.616 10 0 BDAERO [NH3+][C@H](CCO)c1cccc(Br)c1F ZINC000095638639 644761987 /nfs/dbraw/zinc/76/19/87/644761987.db2.gz VOSFCMPIVANUEL-MRVPVSSYSA-N 1 0 248.095 1.970 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc([C@H]2C[C@H]2C)no1 ZINC000252093124 644835672 /nfs/dbraw/zinc/83/56/72/644835672.db2.gz HLBISXHTTHYZJF-HRDYMLBCSA-N 1 0 209.293 1.719 10 0 BDAERO Cn1cc(-c2noc([C@H]3CC[C@@H]([NH3+])C3)n2)cn1 ZINC000097068526 644867888 /nfs/dbraw/zinc/86/78/88/644867888.db2.gz BSIYKHPMPITMRV-IONNQARKSA-N 1 0 233.275 1.065 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cn[nH]c1 ZINC000304219485 644877269 /nfs/dbraw/zinc/87/72/69/644877269.db2.gz HDDLQBLMTZHNIO-UMNHJUIQSA-N 1 0 223.320 1.611 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)n1 ZINC000252683759 644879186 /nfs/dbraw/zinc/87/91/86/644879186.db2.gz PDROPGNTZFWOAX-HJGDQZAQSA-N 1 0 239.319 1.358 10 0 BDAERO C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)C1CCCC1 ZINC000304308727 644890098 /nfs/dbraw/zinc/89/00/98/644890098.db2.gz CNXFWHNLOAAEFS-CABZTGNLSA-N 1 0 224.348 1.809 10 0 BDAERO CC(C)(C)SCC[NH2+]CC1(O)CCOCC1 ZINC000304476013 644908193 /nfs/dbraw/zinc/90/81/93/644908193.db2.gz ZZYSIJRWMYHHCG-UHFFFAOYSA-N 1 0 247.404 1.649 10 0 BDAERO [NH3+][C@H](Cc1nc(CC2CCC2)no1)C1CC1 ZINC000304665087 644924169 /nfs/dbraw/zinc/92/41/69/644924169.db2.gz WQNAWUWSRFUNBM-SNVBAGLBSA-N 1 0 221.304 1.692 10 0 BDAERO C[C@@H]1CCCN(c2cncc(Cl)n2)[C@H]1C[NH3+] ZINC000253173011 644941697 /nfs/dbraw/zinc/94/16/97/644941697.db2.gz KXXNECLEXWHNOJ-BDAKNGLRSA-N 1 0 240.738 1.694 10 0 BDAERO c1cnc2nccc(NC3C[NH2+]C3)c2c1 ZINC000718987207 711666058 /nfs/dbraw/zinc/66/60/58/711666058.db2.gz RCROJEKSOVCVKW-UHFFFAOYSA-N 1 0 200.245 1.014 10 0 BDAERO CC[C@H]1CN(c2cncc(Cl)n2)CC[C@H]1[NH3+] ZINC000253173497 711764372 /nfs/dbraw/zinc/76/43/72/711764372.db2.gz LTEFVPWZFOZLNQ-DTWKUNHWSA-N 1 0 240.738 1.694 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)nc1 ZINC000700612831 712001727 /nfs/dbraw/zinc/00/17/27/712001727.db2.gz XRNPIQNOGKASCL-VXNVDRBHSA-N 1 0 239.706 1.297 10 0 BDAERO CCCCSCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000701006499 712011677 /nfs/dbraw/zinc/01/16/77/712011677.db2.gz HESYILMAAYDBOC-VHSXEESVSA-N 1 0 230.377 1.468 10 0 BDAERO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000707767380 712177899 /nfs/dbraw/zinc/17/78/99/712177899.db2.gz JJJYJZFVHGXXCK-JXPAYYINSA-N 1 0 239.315 1.407 10 0 BDAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000710933165 712265977 /nfs/dbraw/zinc/26/59/77/712265977.db2.gz RPVQUFANAQRDMI-AXFHLTTASA-N 1 0 229.320 1.031 10 0 BDAERO C[C@H]([NH2+]Cc1cnn(C)c1Cl)[C@H]1CCCO1 ZINC000378862284 712364230 /nfs/dbraw/zinc/36/42/30/712364230.db2.gz SPKVIVKSBIRXBP-WCBMZHEXSA-N 1 0 243.738 1.731 10 0 BDAERO C[C@@H]1C[N@H+](CCCOC(F)(F)F)C[C@H]1CO ZINC000713445464 712460227 /nfs/dbraw/zinc/46/02/27/712460227.db2.gz WHMJVESEVNSEDP-BDAKNGLRSA-N 1 0 241.253 1.473 10 0 BDAERO C=C/C=C/CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000713704523 712469289 /nfs/dbraw/zinc/46/92/89/712469289.db2.gz ZVRVNRZHYQXVRL-OOPCZODUSA-N 1 0 206.333 1.899 10 0 BDAERO C=C/C=C/CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000713704520 712469344 /nfs/dbraw/zinc/46/93/44/712469344.db2.gz ZVRVNRZHYQXVRL-ITDFMYJTSA-N 1 0 206.333 1.899 10 0 BDAERO CCCCC[C@H](C)NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713806584 712472790 /nfs/dbraw/zinc/47/27/90/712472790.db2.gz UVJGFRKECKNZBR-SRVKXCTJSA-N 1 0 242.363 1.435 10 0 BDAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713930861 712473583 /nfs/dbraw/zinc/47/35/83/712473583.db2.gz SMLNBOWHTPGHCI-KXNHARMFSA-N 1 0 240.347 1.140 10 0 BDAERO CCOC1CC([NH2+]C2CC(COC)C2)C1 ZINC000714010456 712477232 /nfs/dbraw/zinc/47/72/32/712477232.db2.gz VUILCMLCODONHW-UHFFFAOYSA-N 1 0 213.321 1.569 10 0 BDAERO CC1(C)CCC[C@@H](CN2CCC[C@H]2C[NH3+])O1 ZINC000714350999 712483480 /nfs/dbraw/zinc/48/34/80/712483480.db2.gz WPHKUZMLCBDLSC-RYUDHWBXSA-N 1 0 226.364 1.757 10 0 BDAERO CCCn1cc(C[NH2+][C@@H](C)C(C)C)nn1 ZINC000714436559 712486463 /nfs/dbraw/zinc/48/64/63/712486463.db2.gz KATOSZZXCAMGBQ-JTQLQIEISA-N 1 0 210.325 1.822 10 0 BDAERO CCCn1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)nn1 ZINC000714403809 712485272 /nfs/dbraw/zinc/48/52/72/712485272.db2.gz LLNZSIJHILOCFF-ZYHUDNBSSA-N 1 0 238.335 1.081 10 0 BDAERO Cc1cnc(NC[C@H]2C[C@H]([NH3+])C2)nc1C ZINC000715133987 712513832 /nfs/dbraw/zinc/51/38/32/712513832.db2.gz MTCPFKFXTHRZCG-MGCOHNPYSA-N 1 0 206.293 1.243 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715393608 712523131 /nfs/dbraw/zinc/52/31/31/712523131.db2.gz ZRZOGFOICAXCGT-YIZRAAEISA-N 1 0 205.248 1.344 10 0 BDAERO [NH3+]CCCCCCC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037001058 712528536 /nfs/dbraw/zinc/52/85/36/712528536.db2.gz AOZVDIMRVRRAKN-RYUDHWBXSA-N 1 0 242.363 1.315 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCCCCC1CC1 ZINC000716343361 712555359 /nfs/dbraw/zinc/55/53/59/712555359.db2.gz VQBOAHQAQFLAKI-LLVKDONJSA-N 1 0 212.337 1.810 10 0 BDAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)C1CCC1 ZINC000716683264 712569916 /nfs/dbraw/zinc/56/99/16/712569916.db2.gz IYUAKFZJBMRJQN-ILDUYXDCSA-N 1 0 210.321 1.419 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cncs1 ZINC000716746480 712571856 /nfs/dbraw/zinc/57/18/56/712571856.db2.gz QYPDOKXZQBXMJY-JECWYVHBSA-N 1 0 225.317 1.058 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cccs1 ZINC000716746679 712571988 /nfs/dbraw/zinc/57/19/88/712571988.db2.gz SNRYLLCKZURHTH-UEJVZZJDSA-N 1 0 224.329 1.663 10 0 BDAERO Cc1ccc(C[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716753544 712572539 /nfs/dbraw/zinc/57/25/39/712572539.db2.gz AZBVGYFRGFEFQR-UHFFFAOYSA-N 1 0 218.300 1.349 10 0 BDAERO C[C@H]1CCCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716741400 712572043 /nfs/dbraw/zinc/57/20/43/712572043.db2.gz QBWLWTLBBFYABL-IDWGSYCQSA-N 1 0 210.321 1.419 10 0 BDAERO C[NH2+]CCN(c1ccnc(C)n1)C(C)C ZINC000720789961 712865871 /nfs/dbraw/zinc/86/58/71/712865871.db2.gz BPAWZZPBKHCCDR-UHFFFAOYSA-N 1 0 208.309 1.219 10 0 BDAERO Cc1ccnc(N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1 ZINC000720895713 712876805 /nfs/dbraw/zinc/87/68/05/712876805.db2.gz ZWBNFKSMWXYVIV-RKDXNWHRSA-N 1 0 245.248 1.716 10 0 BDAERO Cc1cc(NCC[C@@H]2C[NH2+]C[C@H]2C)ncn1 ZINC000721075767 712889950 /nfs/dbraw/zinc/88/99/50/712889950.db2.gz OGBDXMDBHVAWFI-MWLCHTKSSA-N 1 0 220.320 1.443 10 0 BDAERO Cc1nccnc1N[C@H]1C[NH2+]CC1(C)C ZINC000721901848 710688858 /nfs/dbraw/zinc/68/88/58/710688858.db2.gz YFAXXGGXIAVVCX-VIFPVBQESA-N 1 0 206.293 1.195 10 0 BDAERO CSC1CC([NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000722245925 710706446 /nfs/dbraw/zinc/70/64/46/710706446.db2.gz SJNAGUQVRJGVHA-IDWGSYCQSA-N 1 0 214.378 1.420 10 0 BDAERO Cc1cnc(NC[C@@H]2C[NH2+]C[C@H]2C)nc1 ZINC000723811942 710733269 /nfs/dbraw/zinc/73/32/69/710733269.db2.gz WICCYKIIIDNYAG-ZJUUUORDSA-N 1 0 206.293 1.052 10 0 BDAERO 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1.773 10 0 BDAERO [NH3+]CC[C@H]1CCN(c2cncc(Cl)n2)C1 ZINC000723682983 711533715 /nfs/dbraw/zinc/53/37/15/711533715.db2.gz MPZWJJAVYYMCSC-QMMMGPOBSA-N 1 0 226.711 1.305 10 0 BDAERO [NH3+]CC[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000723681941 711534263 /nfs/dbraw/zinc/53/42/63/711534263.db2.gz CFEPTGDQQUQQAR-SSDOTTSWSA-N 1 0 242.710 1.011 10 0 BDAERO Cc1cnc(C)c(N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723895615 711544228 /nfs/dbraw/zinc/54/42/28/711544228.db2.gz XWZCAWRRVAGUFQ-BXKDBHETSA-N 1 0 234.347 1.515 10 0 BDAERO Cc1cnc(CN[C@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000724073870 711559209 /nfs/dbraw/zinc/55/92/09/711559209.db2.gz QPTHYTNFYIKCEM-CHWSQXEVSA-N 1 0 233.359 1.786 10 0 BDAERO CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000724192819 711568245 /nfs/dbraw/zinc/56/82/45/711568245.db2.gz MWYHFZNODNEVBZ-FVCCEPFGSA-N 1 0 227.348 1.647 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cnccn2)C[C@H](C)O1 ZINC000724270179 711573133 /nfs/dbraw/zinc/57/31/33/711573133.db2.gz 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ZINC000252748446 711892755 /nfs/dbraw/zinc/89/27/55/711892755.db2.gz SWOPCWUGQCXRDQ-GARJFASQSA-N 1 0 229.320 1.152 10 0 BDAERO CC1(C)C[NH2+]C[C@H]1Nc1ncncc1Cl ZINC000721939296 711942989 /nfs/dbraw/zinc/94/29/89/711942989.db2.gz KXDWDFAIKBRWNO-MRVPVSSYSA-N 1 0 226.711 1.540 10 0 BDAERO COc1cncc(C[NH2+]CCn2cc(C)cn2)c1 ZINC000700046823 711984996 /nfs/dbraw/zinc/98/49/96/711984996.db2.gz GVRRIYUNCDEXCZ-UHFFFAOYSA-N 1 0 246.314 1.385 10 0 BDAERO CC(C)(C[NH3+])c1nc([C@H]2CC23CC3)no1 ZINC000700429695 711993654 /nfs/dbraw/zinc/99/36/54/711993654.db2.gz VTILUUNDANAMSB-SSDOTTSWSA-N 1 0 207.277 1.573 10 0 BDAERO C[C@@H](Oc1ccccc1)C(=O)NCC1CC([NH3+])C1 ZINC000700707896 712003913 /nfs/dbraw/zinc/00/39/13/712003913.db2.gz XDDAIDPKKWPKEO-VOMCLLRMSA-N 1 0 248.326 1.307 10 0 BDAERO CCCCSCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000701012733 712011631 /nfs/dbraw/zinc/01/16/31/712011631.db2.gz MZVLXTNNOQLMMH-WDEREUQCSA-N 1 0 244.404 1.763 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccnc1F ZINC000701095367 712014890 /nfs/dbraw/zinc/01/48/90/712014890.db2.gz RQYQBRPPHBBREZ-PSASIEDQSA-N 1 0 237.278 1.091 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(F)n1 ZINC000701110630 712015373 /nfs/dbraw/zinc/01/53/73/712015373.db2.gz RTZZKXGQHCTIGX-BDAKNGLRSA-N 1 0 237.278 1.078 10 0 BDAERO C[NH2+]CCc1noc(-c2cocc2C)n1 ZINC000705217011 712123890 /nfs/dbraw/zinc/12/38/90/712123890.db2.gz GZMFAVZLXIJMDR-UHFFFAOYSA-N 1 0 207.233 1.400 10 0 BDAERO COC1CC(C[N@H+](C)CC(C)(C)N)C1 ZINC000705620504 712133265 /nfs/dbraw/zinc/13/32/65/712133265.db2.gz ZUNPWJPMSCMSES-UHFFFAOYSA-N 1 0 200.326 1.081 10 0 BDAERO CSC1CC([NH2+][C@@H](C)c2ncc[nH]2)C1 ZINC000706743013 712153432 /nfs/dbraw/zinc/15/34/32/712153432.db2.gz LYOZSZCDSREXQP-UEJVZZJDSA-N 1 0 211.334 1.954 10 0 BDAERO CC(C)(C)[NH2+]CCC(=O)N1C[C@H]2CCC[C@H]21 ZINC000706908123 712160337 /nfs/dbraw/zinc/16/03/37/712160337.db2.gz ODLHARWPCBCXJF-GHMZBOCLSA-N 1 0 224.348 1.776 10 0 BDAERO [NH3+]C1CC(C(=O)NC[C@@H]2CCCC23CC3)C1 ZINC000707010667 712163578 /nfs/dbraw/zinc/16/35/78/712163578.db2.gz FVCQUOPKBPACLJ-YVNMAJEFSA-N 1 0 222.332 1.420 10 0 BDAERO CC[NH2+][C@@H](C)C(=O)N[C@H]1COc2ccccc21 ZINC000707945065 712173962 /nfs/dbraw/zinc/17/39/62/712173962.db2.gz GIRMBAWQEHAKBZ-ONGXEEELSA-N 1 0 234.299 1.234 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@H]1CO ZINC000708685665 712196986 /nfs/dbraw/zinc/19/69/86/712196986.db2.gz DQLGNDTZFLDAON-IKOXMDCHSA-N 1 0 239.359 1.504 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1CO ZINC000708688025 712197036 /nfs/dbraw/zinc/19/70/36/712197036.db2.gz ZBVINPPSQMSTOZ-GRYCIOLGSA-N 1 0 227.348 1.362 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000708859730 712201138 /nfs/dbraw/zinc/20/11/38/712201138.db2.gz ZAOSKRYNLSYBOS-WRWGMCAJSA-N 1 0 238.375 1.722 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C/c2ccccc2)C[C@H]1C[NH3+] ZINC000708868388 712202093 /nfs/dbraw/zinc/20/20/93/712202093.db2.gz OVNJEHZTRVLTMK-SNRDVKANSA-N 1 0 244.338 1.753 10 0 BDAERO [NH3+][C@H]1CCCCCN(c2cncc(Cl)n2)C1 ZINC000709009139 712205827 /nfs/dbraw/zinc/20/58/27/712205827.db2.gz MSKDZPDYAQKLCL-VIFPVBQESA-N 1 0 240.738 1.838 10 0 BDAERO CCC[C@@H]1CCCN(C(=O)C2CC([NH3+])C2)C1 ZINC000708508028 712212185 /nfs/dbraw/zinc/21/21/85/712212185.db2.gz GVAQRVNSFCWQFX-VOMCLLRMSA-N 1 0 224.348 1.762 10 0 BDAERO CC[C@H](C)N1CCc2sc(C[NH3+])nc2C1 ZINC000709755567 712217506 /nfs/dbraw/zinc/21/75/06/712217506.db2.gz PBHSVAAWWKHQFV-QMMMGPOBSA-N 1 0 225.361 1.758 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H]1COc2ccccc21 ZINC000709356855 712220185 /nfs/dbraw/zinc/22/01/85/712220185.db2.gz OZJZYCCORFKGHD-GHMZBOCLSA-N 1 0 234.299 1.234 10 0 BDAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709968785 712236083 /nfs/dbraw/zinc/23/60/83/712236083.db2.gz CNLZYDHFEUKUNW-XFMPKHEZSA-N 1 0 248.370 1.635 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711243483 712291390 /nfs/dbraw/zinc/29/13/90/712291390.db2.gz UOMXPZZUKVJBAD-KLBPJQLPSA-N 1 0 208.305 1.043 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Cc1ccc([C@H]2C[NH2+]C[C@]2(C)N)c(F)c1 ZINC000685965808 538911929 /nfs/dbraw/zinc/91/19/29/538911929.db2.gz UHQDNIUUROVBIT-PWSUYJOCSA-N 1 0 208.280 1.538 10 0 BDAERO Cc1cc(F)c([C@@H]2C[NH2+]C[C@@]2(C)N)cc1F ZINC000685965391 538912009 /nfs/dbraw/zinc/91/20/09/538912009.db2.gz CEXXPLQZQWJIBG-JOYOIKCWSA-N 1 0 226.270 1.677 10 0 BDAERO COc1cc(C=O)cc2c1O[C@@H](CC[NH3+])C2 ZINC000685965772 538912502 /nfs/dbraw/zinc/91/25/02/538912502.db2.gz SEEIRHKAEHQETQ-JTQLQIEISA-N 1 0 221.256 1.160 10 0 BDAERO CCC(CC)(CN)[N@H+](C)CCC(=O)NC1CC1 ZINC000054049409 168322765 /nfs/dbraw/zinc/32/27/65/168322765.db2.gz RKESYFBSWVHFEN-UHFFFAOYSA-N 1 0 241.379 1.104 10 0 BDAERO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)nn1C ZINC000257667095 349470926 /nfs/dbraw/zinc/47/09/26/349470926.db2.gz FZKSICIJNDHKCX-SNVBAGLBSA-N 1 0 236.319 1.057 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616611922 349475037 /nfs/dbraw/zinc/47/50/37/349475037.db2.gz HYXAPEAQCSUUNO-GFCCVEGCSA-N 1 0 242.326 1.378 10 0 BDAERO [NH3+]CCN1CC[C@H](c2ccc3nnccc3c2)C1 ZINC000616612117 349478137 /nfs/dbraw/zinc/47/81/37/349478137.db2.gz MHPVCFRACRUSIW-ZDUSSCGKSA-N 1 0 242.326 1.378 10 0 BDAERO CCC(CC)(CO)[NH2+]Cc1cnn(C)c1C ZINC000086552067 168329916 /nfs/dbraw/zinc/32/99/16/168329916.db2.gz PGSMQPOOPUFHPI-UHFFFAOYSA-N 1 0 225.336 1.369 10 0 BDAERO CCC[C@H](C[NH3+])[C@@H](O)c1nccs1 ZINC000161785628 538918864 /nfs/dbraw/zinc/91/88/64/538918864.db2.gz RGZRIUJYDLPBPL-HTQZYQBOSA-N 1 0 200.307 1.552 10 0 BDAERO C[C@]1(C(=O)NCc2cscn2)CCCC[NH2+]1 ZINC000159589742 136214527 /nfs/dbraw/zinc/21/45/27/136214527.db2.gz DVIHAOKDMUZLSE-LLVKDONJSA-N 1 0 239.344 1.292 10 0 BDAERO COC[C@@H](C)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000378719508 346816016 /nfs/dbraw/zinc/81/60/16/346816016.db2.gz FBJMWXYHEWHOFN-QJPTWQEYSA-N 1 0 215.337 1.552 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H](O)C(C)(C)C)no1 ZINC000336715489 178022453 /nfs/dbraw/zinc/02/24/53/178022453.db2.gz WSJSQBGROSEOEZ-SNVBAGLBSA-N 1 0 212.293 1.480 10 0 BDAERO C/C=C\C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000309749331 398151215 /nfs/dbraw/zinc/15/12/15/398151215.db2.gz BAZCVWXWLCZZKW-UQCOIBPSSA-N 1 0 232.327 1.940 10 0 BDAERO CC1(C)[C@@H]2CN(C(=O)[C@@H]3CCC[C@H]3C[NH3+])C[C@@H]21 ZINC000379556070 398153993 /nfs/dbraw/zinc/15/39/93/398153993.db2.gz HXGVGUGWQWAHID-WHOHXGKFSA-N 1 0 236.359 1.476 10 0 BDAERO CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300677862 398158263 /nfs/dbraw/zinc/15/82/63/398158263.db2.gz BTAQIUWKRIIAHI-CLLJXQQHSA-N 1 0 238.375 1.881 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)NC2)c(C)n1C ZINC000104331901 178033625 /nfs/dbraw/zinc/03/36/25/178033625.db2.gz IWAPOORRFNUEBP-GFCCVEGCSA-N 1 0 235.331 1.010 10 0 BDAERO Cc1cc(Cl)nc(S[C@@H]2CC[NH2+]C2)n1 ZINC000095069418 178073505 /nfs/dbraw/zinc/07/35/05/178073505.db2.gz PSDXBVXAPSDHKH-SSDOTTSWSA-N 1 0 229.736 1.892 10 0 BDAERO CC[C@H](O)C[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000379924529 398176853 /nfs/dbraw/zinc/17/68/53/398176853.db2.gz KHAQXRUQNVTCGS-SRVKXCTJSA-N 1 0 214.353 1.076 10 0 BDAERO Cc1cc(COC[C@H]2CCCC[NH2+]2)on1 ZINC000051815693 178049211 /nfs/dbraw/zinc/04/92/11/178049211.db2.gz OZEHNDOHBCOKDZ-SNVBAGLBSA-N 1 0 210.277 1.642 10 0 BDAERO C[C@@]1(CNc2nccs2)CCC[NH2+]C1 ZINC000160008802 398160389 /nfs/dbraw/zinc/16/03/89/398160389.db2.gz GHNYNEVRUJBJPH-SNVBAGLBSA-N 1 0 211.334 1.945 10 0 BDAERO CCC(CC)C(=O)NCCCCC[NH3+] ZINC000070626762 168337161 /nfs/dbraw/zinc/33/71/61/168337161.db2.gz SQLQZNHTZRLHAG-UHFFFAOYSA-N 1 0 200.326 1.668 10 0 BDAERO Cc1cc(Cl)ccc1N1C[C@H]([NH3+])CC1=O ZINC000035679820 178068056 /nfs/dbraw/zinc/06/80/56/178068056.db2.gz KYIWKEOEPKRSPP-SECBINFHSA-N 1 0 224.691 1.712 10 0 BDAERO Cc1cc(Cl)nc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000095068922 178071588 /nfs/dbraw/zinc/07/15/88/178071588.db2.gz DDTNUXVGDWFJGO-MRVPVSSYSA-N 1 0 226.711 1.602 10 0 BDAERO Cc1oc(C)c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000379756501 398166765 /nfs/dbraw/zinc/16/67/65/398166765.db2.gz WFBKMHLHUJXGLT-KCJUWKMLSA-N 1 0 236.315 1.767 10 0 BDAERO Cc1oc(C)c(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000379756500 398166881 /nfs/dbraw/zinc/16/68/81/398166881.db2.gz WFBKMHLHUJXGLT-GZMMTYOYSA-N 1 0 236.315 1.767 10 0 BDAERO Cc1cc(F)c([C@H]([NH3+])CO)c(F)c1F ZINC000072197988 178075718 /nfs/dbraw/zinc/07/57/18/178075718.db2.gz AKTURTPYIXXXON-ZCFIWIBFSA-N 1 0 205.179 1.404 10 0 BDAERO Cc1cc(F)c([C@H](N)C[NH3+])c(F)c1F ZINC000072200629 178075749 /nfs/dbraw/zinc/07/57/49/178075749.db2.gz DACUFXSBXPQRNJ-ZCFIWIBFSA-N 1 0 204.195 1.371 10 0 BDAERO Cc1cc(N(C)C(C)(C)C[NH3+])nc(C)n1 ZINC000082640814 178093722 /nfs/dbraw/zinc/09/37/22/178093722.db2.gz MLHUGFLEJUVDTN-UHFFFAOYSA-N 1 0 208.309 1.267 10 0 BDAERO CC1(C)CCC(C[N@@H+]2CCO[C@@H](CO)C2)CC1 ZINC000336695226 398196012 /nfs/dbraw/zinc/19/60/12/398196012.db2.gz IIMQTJGISLQZNT-CYBMUJFWSA-N 1 0 241.375 1.896 10 0 BDAERO Cc1cc(N)ccc1NCCN1CC[NH+](C)CC1 ZINC000037759540 178106063 /nfs/dbraw/zinc/10/60/63/178106063.db2.gz IBEQLKZJUOYUOS-UHFFFAOYSA-N 1 0 248.374 1.237 10 0 BDAERO CC/C=C\CC[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000342253556 365540252 /nfs/dbraw/zinc/54/02/52/365540252.db2.gz VGKOEQDIHVEILY-GEXIGZQTSA-N 1 0 240.391 1.995 10 0 BDAERO Cc1n[nH]c(C)c1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000120981951 398201202 /nfs/dbraw/zinc/20/12/02/398201202.db2.gz WKRFOJKONOMNFD-LBPRGKRZSA-N 1 0 236.363 1.410 10 0 BDAERO CCn1nccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000162685185 538924158 /nfs/dbraw/zinc/92/41/58/538924158.db2.gz NYWQLZCEOBXYFV-JQWIXIFHSA-N 1 0 223.320 1.296 10 0 BDAERO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]32)cnc1C ZINC000028865875 178122543 /nfs/dbraw/zinc/12/25/43/178122543.db2.gz ZTWHVRXLTQENEO-ZYHUDNBSSA-N 1 0 203.289 1.106 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N(CC(F)F)C1CC1 ZINC000386248676 398202939 /nfs/dbraw/zinc/20/29/39/398202939.db2.gz VFHQNMKCKIHTGU-WPRPVWTQSA-N 1 0 246.301 1.618 10 0 BDAERO C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000175306325 365542386 /nfs/dbraw/zinc/54/23/86/365542386.db2.gz LJGDCJPFJIXTKS-MWLCHTKSSA-N 1 0 210.321 1.195 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)C1CC1 ZINC000162914163 538925462 /nfs/dbraw/zinc/92/54/62/538925462.db2.gz KDZMICSWSOKMLO-OLZOCXBDSA-N 1 0 226.364 1.485 10 0 BDAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000054290382 178134436 /nfs/dbraw/zinc/13/44/36/178134436.db2.gz QXWMCVGVYARALV-JTQLQIEISA-N 1 0 236.319 1.057 10 0 BDAERO C[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)[C@@H]1C ZINC000380812366 398208787 /nfs/dbraw/zinc/20/87/87/398208787.db2.gz SZRORXYQQBGLGS-QYNFOATHSA-N 1 0 224.348 1.761 10 0 BDAERO Cc1ccc2c(c1)CN(CCC[NH3+])CCO2 ZINC000213741225 349517639 /nfs/dbraw/zinc/51/76/39/349517639.db2.gz AUGTXAHSGJWRMA-UHFFFAOYSA-N 1 0 220.316 1.538 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)on1 ZINC000070502650 178145264 /nfs/dbraw/zinc/14/52/64/178145264.db2.gz YNKXXXOUXYXWMN-BDAKNGLRSA-N 1 0 223.276 1.439 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)n(C)n1 ZINC000019435187 178145308 /nfs/dbraw/zinc/14/53/08/178145308.db2.gz DDOWCAXCPJOOGU-WCBMZHEXSA-N 1 0 236.319 1.055 10 0 BDAERO CN1CCC[C@@H]1C[NH2+][C@H](CO)C1CCCCC1 ZINC000386684749 398216068 /nfs/dbraw/zinc/21/60/68/398216068.db2.gz YBRRUDJNTWZLST-ZIAGYGMSSA-N 1 0 240.391 1.611 10 0 BDAERO Cc1cc(NC(=O)[C@H]([NH3+])c2ccccc2)no1 ZINC000019473141 178147812 /nfs/dbraw/zinc/14/78/12/178147812.db2.gz RCJIJQSVRLUSBH-LLVKDONJSA-N 1 0 231.255 1.622 10 0 BDAERO CC[C@@]1([NH2+]C[C@@H]2CCCN2C)CCOC1 ZINC000386519735 398211757 /nfs/dbraw/zinc/21/17/57/398211757.db2.gz DMCXYYNGUBXGAY-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO Cc1cc(NC[C@@H]2CC[NH2+]C2)nc(C(C)C)n1 ZINC000133807532 178166381 /nfs/dbraw/zinc/16/63/81/178166381.db2.gz AZBXBNNMWJNIRH-LLVKDONJSA-N 1 0 234.347 1.930 10 0 BDAERO Cc1cc(N[C@H]2CCCC[C@H]2[NH3+])nc(C)n1 ZINC000038050689 178189170 /nfs/dbraw/zinc/18/91/70/178189170.db2.gz WXSASFGPYBAMHA-MNOVXSKESA-N 1 0 220.320 1.775 10 0 BDAERO Cc1cc(N[C@@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000073734866 178182296 /nfs/dbraw/zinc/18/22/96/178182296.db2.gz LGKPBOVMGGPLOB-SSDOTTSWSA-N 1 0 212.684 1.212 10 0 BDAERO Cc1cc2ncnn2c(N[C@H]2CC[N@@H+](C)C2)c1 ZINC000042548133 178190253 /nfs/dbraw/zinc/19/02/53/178190253.db2.gz DFUUUHWZEJYCCC-JTQLQIEISA-N 1 0 231.303 1.154 10 0 BDAERO Cc1cc(OC2CCC([NH3+])CC2)nc(C)n1 ZINC000055143670 178208942 /nfs/dbraw/zinc/20/89/42/178208942.db2.gz YMVILXRRLQDUJA-UHFFFAOYSA-N 1 0 221.304 1.742 10 0 BDAERO Cc1cc2ncnn2c(OC[C@@H]2CCCC[NH2+]2)c1 ZINC000051883485 178212701 /nfs/dbraw/zinc/21/27/01/178212701.db2.gz MLHGXHZAGVLYBA-NSHDSACASA-N 1 0 246.314 1.559 10 0 BDAERO Cc1cc(SC[C@H]2CC[NH2+]C2)n(C)n1 ZINC000052311673 178218945 /nfs/dbraw/zinc/21/89/45/178218945.db2.gz SNIWNQIWGBADCP-VIFPVBQESA-N 1 0 211.334 1.430 10 0 BDAERO Cc1cc([C@@H](C)N2C[C@@H]([NH3+])CC2=O)c(C)s1 ZINC000049511363 178220829 /nfs/dbraw/zinc/22/08/29/178220829.db2.gz OMYARISYCDFIFC-SCZZXKLOSA-N 1 0 238.356 1.986 10 0 BDAERO Cc1cc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)no1 ZINC000309606473 178229757 /nfs/dbraw/zinc/22/97/57/178229757.db2.gz YURUDOFGFJYJOF-DBIOUOCHSA-N 1 0 222.288 1.526 10 0 BDAERO Cc1nc(C)c(C[NH2+]C[C@@H](O)C(C)(C)C)o1 ZINC000382206528 361782193 /nfs/dbraw/zinc/78/21/93/361782193.db2.gz HKFLOBNIXAWRKO-LLVKDONJSA-N 1 0 226.320 1.788 10 0 BDAERO c1ccc(-c2noc(N3CC[NH2+]CC3)n2)cc1 ZINC000196209146 398234091 /nfs/dbraw/zinc/23/40/91/398234091.db2.gz DQOYFRBJFVVLES-UHFFFAOYSA-N 1 0 230.271 1.146 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]C2CC(C)C2)C1 ZINC000166646746 538939723 /nfs/dbraw/zinc/93/97/23/538939723.db2.gz RGKVGJRVDFNFLC-MCIGGMRASA-N 1 0 212.337 1.095 10 0 BDAERO CCC(CC)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000308935569 168363566 /nfs/dbraw/zinc/36/35/66/168363566.db2.gz KTBXUIJKRZIKNF-MWLCHTKSSA-N 1 0 212.337 1.679 10 0 BDAERO Cc1cc2c(cc1C)NC(=O)[C@@H](C[NH3+])C2 ZINC000011982237 178284914 /nfs/dbraw/zinc/28/49/14/178284914.db2.gz SJLCIJPHBHUABX-SNVBAGLBSA-N 1 0 204.273 1.373 10 0 BDAERO CCCCN(Cc1ccccc1)C(=O)C[NH3+] ZINC000076610373 398243513 /nfs/dbraw/zinc/24/35/13/398243513.db2.gz AWODXWGXAMOEHS-UHFFFAOYSA-N 1 0 220.316 1.774 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)[C@H](C)[C@H]2[NH3+] ZINC000043636417 178286323 /nfs/dbraw/zinc/28/63/23/178286323.db2.gz QMBOWFHMNMWDQZ-LDYMZIIASA-N 1 0 225.313 1.479 10 0 BDAERO O=C(C[C@@H]1CCCCC[NH2+]1)[C@H]1CCOC1 ZINC000229651085 538940305 /nfs/dbraw/zinc/94/03/05/538940305.db2.gz MNDVKYLLQVRXAK-QWRGUYRKSA-N 1 0 211.305 1.514 10 0 BDAERO CCSCC[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000366749659 398248975 /nfs/dbraw/zinc/24/89/75/398248975.db2.gz ZZVJGWZHWPEADZ-NSHDSACASA-N 1 0 239.388 1.788 10 0 BDAERO CCC[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1CC ZINC000168071240 538944954 /nfs/dbraw/zinc/94/49/54/538944954.db2.gz PSRTXDZIWWHDGK-QWRGUYRKSA-N 1 0 248.392 1.046 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)[C@H]1C ZINC000381045467 398252442 /nfs/dbraw/zinc/25/24/42/398252442.db2.gz DCXPWKYKDLBHHM-MDZLAQPJSA-N 1 0 226.364 1.077 10 0 BDAERO Cc1ccc(-c2cc3n(n2)CCC[NH2+]C3)o1 ZINC000065225659 178322127 /nfs/dbraw/zinc/32/21/27/178322127.db2.gz NGLAGAGSEXCRGE-UHFFFAOYSA-N 1 0 217.272 1.945 10 0 BDAERO C[C@]1(O)CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000381392074 398253719 /nfs/dbraw/zinc/25/37/19/398253719.db2.gz NPUSPNFYDQWGPS-AVGNSLFASA-N 1 0 227.348 1.384 10 0 BDAERO CCC(CC)N(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037117249 168368156 /nfs/dbraw/zinc/36/81/56/168368156.db2.gz XHIGEUGHAHUYCI-LLVKDONJSA-N 1 0 212.337 1.776 10 0 BDAERO CCC(CC)N(C)c1c(C(N)=[NH2+])c(C)nn1C ZINC000104316575 168368364 /nfs/dbraw/zinc/36/83/64/168368364.db2.gz HNSBVDYQXJULOO-UHFFFAOYSA-N 1 0 237.351 1.637 10 0 BDAERO Cc1ccc(-n2cc(C[NH3+])nn2)c(F)c1 ZINC000050224131 178345708 /nfs/dbraw/zinc/34/57/08/178345708.db2.gz WZPBRCJTAJOCRI-UHFFFAOYSA-N 1 0 206.224 1.174 10 0 BDAERO Cc1c([C@@H](C)[NH3+])nnn1-c1ccc(C)cc1 ZINC000036916704 178349449 /nfs/dbraw/zinc/34/94/49/178349449.db2.gz FSDOFLPNEPHULP-SECBINFHSA-N 1 0 216.288 1.904 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@H](C)C[NH3+])c(C)n1 ZINC000055329968 178378008 /nfs/dbraw/zinc/37/80/08/178378008.db2.gz JZHVHWLEZAXKJL-SECBINFHSA-N 1 0 235.331 1.365 10 0 BDAERO CCCCNC(=O)NC[C@@H]([NH3+])C(C)(C)C ZINC000324770399 538951250 /nfs/dbraw/zinc/95/12/50/538951250.db2.gz YZRPFPHNXITMGG-SECBINFHSA-N 1 0 215.341 1.459 10 0 BDAERO CC1(C)CC(=O)C([C@@H]2CCC[NH2+]2)C(=O)C1 ZINC000230796662 538951325 /nfs/dbraw/zinc/95/13/25/538951325.db2.gz VCSRCTVTNFFQSY-QMMMGPOBSA-N 1 0 209.289 1.313 10 0 BDAERO Cc1ccc(C(=O)N(CCC[NH3+])C2CC2)cc1 ZINC000036731445 178381927 /nfs/dbraw/zinc/38/19/27/178381927.db2.gz IPXCMJYZDFFLGT-UHFFFAOYSA-N 1 0 232.327 1.948 10 0 BDAERO Cc1ccc([C@@H]2CCNC3=[NH+]CCN32)cc1 ZINC000141525967 538952826 /nfs/dbraw/zinc/95/28/26/538952826.db2.gz VULZYBNIWYOKNZ-LBPRGKRZSA-N 1 0 215.300 1.701 10 0 BDAERO Cc1ccc(C(=O)CN2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000050242525 178373192 /nfs/dbraw/zinc/37/31/92/178373192.db2.gz AZATUXCPXLWMML-GFCCVEGCSA-N 1 0 232.327 1.519 10 0 BDAERO CSCCC[C@H](O)C1(C[NH3+])CCC1 ZINC000231743803 538952954 /nfs/dbraw/zinc/95/29/54/538952954.db2.gz ZCGFSAPLPVRPPZ-VIFPVBQESA-N 1 0 203.351 1.620 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2cccc(N)n2)CC1 ZINC000616612717 349580965 /nfs/dbraw/zinc/58/09/65/349580965.db2.gz YDBBYBQIQJDAQJ-SNVBAGLBSA-N 1 0 205.305 1.863 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000378808541 346839657 /nfs/dbraw/zinc/83/96/57/346839657.db2.gz YIWDUSVYTLUXDK-MELADBBJSA-N 1 0 217.312 1.514 10 0 BDAERO CC1(C[NH2+]C[C@H]2CCc3nccn3C2)CC1 ZINC000381763568 346840626 /nfs/dbraw/zinc/84/06/26/346840626.db2.gz UQBNAUVMSIZOHI-LLVKDONJSA-N 1 0 219.332 1.835 10 0 BDAERO CCC(CC)NC(=O)CO[C@H]1CC[C@H](C)[NH2+]C1 ZINC000050211863 168377578 /nfs/dbraw/zinc/37/75/78/168377578.db2.gz FXPKVWJLVYKEQS-JQWIXIFHSA-N 1 0 242.363 1.448 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cnnc3ccccc32)C1 ZINC000616612855 349596811 /nfs/dbraw/zinc/59/68/11/349596811.db2.gz ULGJEOYHDCPYBD-NSHDSACASA-N 1 0 242.326 1.378 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C1=NC(=O)CS1 ZINC000306647752 361836088 /nfs/dbraw/zinc/83/60/88/361836088.db2.gz DGNFYTCULQDHOJ-QMMMGPOBSA-N 1 0 227.333 1.237 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)c2c[nH]nc2C)c1 ZINC000180801205 538959138 /nfs/dbraw/zinc/95/91/38/538959138.db2.gz NDKCHOYUHJYLLW-JTQLQIEISA-N 1 0 233.319 1.574 10 0 BDAERO CSC[C@H](C)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000602590677 349614105 /nfs/dbraw/zinc/61/41/05/349614105.db2.gz DCHWDMDDTWPTSH-KXUCPTDWSA-N 1 0 230.377 1.039 10 0 BDAERO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2O)nc1 ZINC000399776611 342741752 /nfs/dbraw/zinc/74/17/52/342741752.db2.gz IUZYKWKKLUDDRD-ZIAGYGMSSA-N 1 0 234.343 1.826 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ncc(Cl)s1 ZINC000306652281 361862850 /nfs/dbraw/zinc/86/28/50/361862850.db2.gz GKSXULFDWYJQFV-CRCLSJGQSA-N 1 0 233.724 1.718 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1cncc(Cl)n1 ZINC000306659558 361869750 /nfs/dbraw/zinc/86/97/50/361869750.db2.gz LSRVJYZHGUWALT-WDSKDSINSA-N 1 0 200.673 1.278 10 0 BDAERO CC[NH+](CC)CC(=O)Nn1c(C)ccc1C ZINC000003621789 342735172 /nfs/dbraw/zinc/73/51/72/342735172.db2.gz JILVGFUFPUCQFJ-UHFFFAOYSA-N 1 0 223.320 1.517 10 0 BDAERO CC[N@@H+]1CCCC[C@H]1c1[nH]nc2c1CCN2 ZINC000003708025 342736900 /nfs/dbraw/zinc/73/69/00/342736900.db2.gz SRZIAAYCDRKOMO-JTQLQIEISA-N 1 0 220.320 1.925 10 0 BDAERO CNC(=O)[C@H]([NH2+]CCCc1ccccc1)C(C)C ZINC000183641599 538967472 /nfs/dbraw/zinc/96/74/72/538967472.db2.gz QDJSJIATVHYZMJ-CQSZACIVSA-N 1 0 248.370 1.979 10 0 BDAERO CC(=O)N(C)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000144778499 342750743 /nfs/dbraw/zinc/75/07/43/342750743.db2.gz KODGAKCYDVKTSC-UHFFFAOYSA-N 1 0 233.315 1.079 10 0 BDAERO CC[NH2+]CCCS(=O)(=O)CCC(F)(F)F ZINC000148323436 342790482 /nfs/dbraw/zinc/79/04/82/342790482.db2.gz VYEDDXHSHOPPKL-UHFFFAOYSA-N 1 0 247.282 1.353 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC=CC1 ZINC000246885200 342795821 /nfs/dbraw/zinc/79/58/21/342795821.db2.gz GDASYLUJLLELCK-YPMHNXCESA-N 1 0 234.343 1.648 10 0 BDAERO CC1(C)CNC(=O)CN1C[C@@H]1CCCC1(F)F ZINC000336272858 342796837 /nfs/dbraw/zinc/79/68/37/342796837.db2.gz FKAQUIHBVRMBGA-VIFPVBQESA-N 1 0 246.301 1.632 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1cccs1)n1cccn1 ZINC000043106938 342798095 /nfs/dbraw/zinc/79/80/95/342798095.db2.gz GDVNFLZNEFXCBC-WPRPVWTQSA-N 1 0 207.302 1.881 10 0 BDAERO C[C@H]([NH3+])[C@H](c1cccs1)n1cccn1 ZINC000043106943 342798278 /nfs/dbraw/zinc/79/82/78/342798278.db2.gz GDVNFLZNEFXCBC-WCBMZHEXSA-N 1 0 207.302 1.881 10 0 BDAERO CCCN(CC)C[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040637463 538972321 /nfs/dbraw/zinc/97/23/21/538972321.db2.gz OCKQJOSLHCODEO-QWRGUYRKSA-N 1 0 200.326 1.095 10 0 BDAERO c1ccc2c(c1)SC[C@@H]2CN[C@H]1CC[NH2+]C1 ZINC000335517779 398290139 /nfs/dbraw/zinc/29/01/39/398290139.db2.gz YTTFTTXQRCKFQS-QWRGUYRKSA-N 1 0 234.368 1.827 10 0 BDAERO CCc1nc([C@@]2([NH3+])CCOC2)sc1C ZINC000070993114 361925691 /nfs/dbraw/zinc/92/56/91/361925691.db2.gz PZRQKCZXPPOHNS-SNVBAGLBSA-N 1 0 212.318 1.588 10 0 BDAERO COCC[C@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000045035299 538990959 /nfs/dbraw/zinc/99/09/59/538990959.db2.gz LSENFSVIIJITSL-DCAQKATOSA-N 1 0 201.310 1.305 10 0 BDAERO c1nc(N[C@H]2CCC[NH2+]C2)cc(N2CCCC2)n1 ZINC000045948153 538993779 /nfs/dbraw/zinc/99/37/79/538993779.db2.gz IDCXMAFUSAFPDT-NSHDSACASA-N 1 0 247.346 1.241 10 0 BDAERO OCC1(C[NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000379996225 538983152 /nfs/dbraw/zinc/98/31/52/538983152.db2.gz JNVRNJNNQJZDTA-QWRGUYRKSA-N 1 0 215.312 1.877 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000380027753 538984470 /nfs/dbraw/zinc/98/44/70/538984470.db2.gz ZFHPBEQQVSHZSN-IJLUTSLNSA-N 1 0 213.321 1.306 10 0 BDAERO CC(=O)N1CC[C@@H]([NH2+]C2CC(C)C2)[C@H](C)C1 ZINC000381460493 539001000 /nfs/dbraw/zinc/00/10/00/539001000.db2.gz JNFGVFFALQHYKP-UTZTVMBJSA-N 1 0 224.348 1.631 10 0 BDAERO CC[C@@H](C[NH3+])[C@H](O)CC(C)(C)SC ZINC000385161539 539013209 /nfs/dbraw/zinc/01/32/09/539013209.db2.gz ABAUTCYZMHUFHA-DTWKUNHWSA-N 1 0 205.367 1.864 10 0 BDAERO C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC000381396844 539000023 /nfs/dbraw/zinc/00/00/23/539000023.db2.gz OZNYWQYGCODELT-CMPLNLGQSA-N 1 0 224.348 1.823 10 0 BDAERO CC(C)(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000226589582 342843807 /nfs/dbraw/zinc/84/38/07/342843807.db2.gz NSBRXRNKLXDJNE-QMMMGPOBSA-N 1 0 201.335 1.697 10 0 BDAERO CCOC(=O)c1cnc([C@H]2CCC[NH2+]C2)o1 ZINC000107253503 539021130 /nfs/dbraw/zinc/02/11/30/539021130.db2.gz ZPXYTUNSWZWELO-QMMMGPOBSA-N 1 0 224.260 1.318 10 0 BDAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000390441464 539021572 /nfs/dbraw/zinc/02/15/72/539021572.db2.gz VRNHBXFMCWGAIV-IJLUTSLNSA-N 1 0 219.332 1.691 10 0 BDAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000390441463 539021743 /nfs/dbraw/zinc/02/17/43/539021743.db2.gz VRNHBXFMCWGAIV-GRYCIOLGSA-N 1 0 219.332 1.691 10 0 BDAERO CCC(C)(C)NC(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000709995478 539027803 /nfs/dbraw/zinc/02/78/03/539027803.db2.gz HKVUZTGJFPIAIB-UHFFFAOYSA-N 1 0 239.363 1.570 10 0 BDAERO C[NH2+]C(C)(C)CN1CCSC[C@@H]1C ZINC000069762559 342839524 /nfs/dbraw/zinc/83/95/24/342839524.db2.gz UUZPBWDHOHIASN-VIFPVBQESA-N 1 0 202.367 1.422 10 0 BDAERO Cc1nnc([C@H](C)[NH2+]C[C@H]2CCCN2C)s1 ZINC000391894551 398297675 /nfs/dbraw/zinc/29/76/75/398297675.db2.gz ARZPPFDIYGOOMX-WCBMZHEXSA-N 1 0 240.376 1.591 10 0 BDAERO COc1ccc(NC2=[NH+]CCN2)cc1Cl ZINC000059707060 539013986 /nfs/dbraw/zinc/01/39/86/539013986.db2.gz ZHXWKSYCZIQQNO-UHFFFAOYSA-N 1 0 225.679 1.720 10 0 BDAERO Cc1ccc(C)c2c1NC(=O)[C@@H]2CC[NH3+] ZINC000105544242 539016224 /nfs/dbraw/zinc/01/62/24/539016224.db2.gz AXJKYXPWOXLGRH-SECBINFHSA-N 1 0 204.273 1.688 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1ccc(Br)cn1 ZINC000042240030 361972950 /nfs/dbraw/zinc/97/29/50/361972950.db2.gz LNYZZWLGAYAJBP-RXMQYKEDSA-N 1 0 244.092 1.130 10 0 BDAERO [NH3+]C[C@@](O)(c1sccc1Cl)C1CC1 ZINC000229925472 342855686 /nfs/dbraw/zinc/85/56/86/342855686.db2.gz IBCOURVWVGBZTL-VIFPVBQESA-N 1 0 217.721 1.958 10 0 BDAERO CCC[N@H+](C[C@@H]1CCCN1C)CC(C)(C)O ZINC000649510131 398304119 /nfs/dbraw/zinc/30/41/19/398304119.db2.gz SAMFETRRFNDYPJ-LBPRGKRZSA-N 1 0 228.380 1.564 10 0 BDAERO C[NH2+][C@H]1CSC[C@H]1CC1CCOCC1 ZINC000134589047 342871396 /nfs/dbraw/zinc/87/13/96/342871396.db2.gz ZTQFUUPQGSXIFK-MNOVXSKESA-N 1 0 215.362 1.754 10 0 BDAERO CC1CCC(C[NH2+]CC2(O)CCOCC2)CC1 ZINC000162303146 349631177 /nfs/dbraw/zinc/63/11/77/349631177.db2.gz SNZUUFIVBINQDO-UHFFFAOYSA-N 1 0 241.375 1.944 10 0 BDAERO [NH3+][C@H](Cc1cncs1)[C@H]1CCSC1 ZINC000164949006 342860612 /nfs/dbraw/zinc/86/06/12/342860612.db2.gz IWSQEPDUSORLPR-IONNQARKSA-N 1 0 214.359 1.766 10 0 BDAERO NC(=S)CC[N@@H+]1CC[C@H]2CCCC[C@H]21 ZINC000134821286 342893791 /nfs/dbraw/zinc/89/37/91/342893791.db2.gz WLCIUUHDDUFLKF-NXEZZACHSA-N 1 0 212.362 1.927 10 0 BDAERO CC[C@@H]([NH3+])Cc1nc2nccnc2s1 ZINC000233890742 342895556 /nfs/dbraw/zinc/89/55/56/342895556.db2.gz JWUAAJAYOQNQIF-ZCFIWIBFSA-N 1 0 208.290 1.366 10 0 BDAERO C[C@@H]1CC[C@]2(CO1)[NH2+]CC[C@H](C)S2 ZINC000401660320 342896933 /nfs/dbraw/zinc/89/69/33/342896933.db2.gz LPLDNRCRUMPKQU-UTLUCORTSA-N 1 0 201.335 1.997 10 0 BDAERO CCOC1CC2(C1)[NH2+]CC[C@H](C)S2 ZINC000233734414 342879401 /nfs/dbraw/zinc/87/94/01/342879401.db2.gz WGVRKJCLDWKQLL-IDKOKCKLSA-N 1 0 201.335 1.997 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000044039765 398312944 /nfs/dbraw/zinc/31/29/44/398312944.db2.gz ZOBPTXOKYNJESF-CHWSQXEVSA-N 1 0 221.300 1.580 10 0 BDAERO OC[C@@]1(c2cccc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000258005358 398321771 /nfs/dbraw/zinc/32/17/71/398321771.db2.gz QAHPBHPLUAZUHZ-LLVKDONJSA-N 1 0 245.244 1.929 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000234431329 342925294 /nfs/dbraw/zinc/92/52/94/342925294.db2.gz ZFMFAZHBFABYAP-GMTAPVOTSA-N 1 0 212.337 1.679 10 0 BDAERO CS[C@H]1C[NH2+]C[C@H]1N1CCCCCC1 ZINC000134889957 342917646 /nfs/dbraw/zinc/91/76/46/342917646.db2.gz VVKQLHZTJCXEJW-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1cccs1 ZINC000037476269 398327612 /nfs/dbraw/zinc/32/76/12/398327612.db2.gz LRKBIUVCHRRBKY-HTQZYQBOSA-N 1 0 212.318 1.663 10 0 BDAERO CC(C)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037481976 398328322 /nfs/dbraw/zinc/32/83/22/398328322.db2.gz OWPOMNYLGMMCSY-UHFFFAOYSA-N 1 0 212.337 1.618 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1ccsc1)n1cccn1 ZINC000043124086 342928691 /nfs/dbraw/zinc/92/86/91/342928691.db2.gz WMZGBQIUEHTFCW-WPRPVWTQSA-N 1 0 207.302 1.881 10 0 BDAERO O=C(CC1CC[NH2+]CC1)NCC[C@@H]1CCCO1 ZINC000038096974 398336025 /nfs/dbraw/zinc/33/60/25/398336025.db2.gz RRGUARVNYNROHV-LBPRGKRZSA-N 1 0 240.347 1.061 10 0 BDAERO CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000392928119 398336295 /nfs/dbraw/zinc/33/62/95/398336295.db2.gz RRTOUTGSHRSVSK-VWYCJHECSA-N 1 0 213.321 1.447 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037607656 398332426 /nfs/dbraw/zinc/33/24/26/398332426.db2.gz YNMJDDWAOCZMJV-SFYZADRCSA-N 1 0 242.269 1.879 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N(CCC)CC(F)(F)F ZINC000037812123 398334469 /nfs/dbraw/zinc/33/44/69/398334469.db2.gz UHUOPELAYCYVOT-MRVPVSSYSA-N 1 0 240.269 1.915 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccon1 ZINC000175330660 346894434 /nfs/dbraw/zinc/89/44/34/346894434.db2.gz WICVNSZNXUJGPC-LBPRGKRZSA-N 1 0 223.320 1.591 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2cccc(O)c2)C1 ZINC000132724810 398341234 /nfs/dbraw/zinc/34/12/34/398341234.db2.gz UQXYDPWRKDUEPK-GFCCVEGCSA-N 1 0 220.316 1.528 10 0 BDAERO [NH3+][C@@H]1CCCc2cc(F)cc(F)c2[C@H]1O ZINC000019795564 342958158 /nfs/dbraw/zinc/95/81/58/342958158.db2.gz AAGXSOBZYCDVBP-KOLCDFICSA-N 1 0 213.227 1.662 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000336679262 346900504 /nfs/dbraw/zinc/90/05/04/346900504.db2.gz APVUMHAZRVXSDZ-OLZOCXBDSA-N 1 0 245.363 1.011 10 0 BDAERO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172097870 536732710 /nfs/dbraw/zinc/73/27/10/536732710.db2.gz LUCBTNQLIUZZTA-WDEREUQCSA-N 1 0 225.288 1.424 10 0 BDAERO CC[NH+](CC)CCNC(=O)N[C@@H]1C[C@@H]1C ZINC000076049738 344020984 /nfs/dbraw/zinc/02/09/84/344020984.db2.gz GHTURNDGPYADTA-VHSXEESVSA-N 1 0 213.325 1.036 10 0 BDAERO Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000235335131 343010990 /nfs/dbraw/zinc/01/09/90/343010990.db2.gz DVOOCBYGMXXWQP-OCCSQVGLSA-N 1 0 246.354 1.652 10 0 BDAERO OC[C@@H]1CSCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000335902064 136259743 /nfs/dbraw/zinc/25/97/43/136259743.db2.gz VRSKNRBGTIUDTI-QWHCGFSZSA-N 1 0 249.379 1.736 10 0 BDAERO C[C@H]([NH3+])Cc1c2cccnc2n2c1CCC2 ZINC000011688974 343015460 /nfs/dbraw/zinc/01/54/60/343015460.db2.gz WUAJALFWMPKVTA-VIFPVBQESA-N 1 0 215.300 1.872 10 0 BDAERO c1cc(O[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000214615287 349765572 /nfs/dbraw/zinc/76/55/72/349765572.db2.gz VZASRMMJWGUJGW-LLVKDONJSA-N 1 0 205.257 1.362 10 0 BDAERO CC[NH2+][C@H]1CCCc2nc(CO)sc21 ZINC000127203245 344024465 /nfs/dbraw/zinc/02/44/65/344024465.db2.gz RXNHJQSCWJYDKD-ZETCQYMHSA-N 1 0 212.318 1.622 10 0 BDAERO CC[NH2+][C@@H]1CCCc2nc(CO)sc21 ZINC000127203007 344024497 /nfs/dbraw/zinc/02/44/97/344024497.db2.gz RXNHJQSCWJYDKD-SSDOTTSWSA-N 1 0 212.318 1.622 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000053204970 343032401 /nfs/dbraw/zinc/03/24/01/343032401.db2.gz IXFYFTCKKYUKCW-LLVKDONJSA-N 1 0 242.326 1.818 10 0 BDAERO CC1CC(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C1 ZINC000309517271 259343277 /nfs/dbraw/zinc/34/32/77/259343277.db2.gz SDUCEQCBELFUIQ-WYNUPADASA-N 1 0 210.321 1.241 10 0 BDAERO c1cc2c(ncc3ncn([C@H]4CCC[NH2+]C4)c32)[nH]1 ZINC000118513047 343048647 /nfs/dbraw/zinc/04/86/47/343048647.db2.gz MIBDASHDQINVBI-VIFPVBQESA-N 1 0 241.298 1.837 10 0 BDAERO C[N@@H+]1CCC[C@H](c2ccc(CO)cc2)C1 ZINC000144915753 343050336 /nfs/dbraw/zinc/05/03/36/343050336.db2.gz GVJZHYQYADOXRO-ZDUSSCGKSA-N 1 0 205.301 1.988 10 0 BDAERO C[C@H]1CN(C(=O)c2cccc3cc[nH]c32)C[C@@H]1[NH3+] ZINC000235732219 343058627 /nfs/dbraw/zinc/05/86/27/343058627.db2.gz HGKQPOXOZQWJJI-CABZTGNLSA-N 1 0 243.310 1.587 10 0 BDAERO C[C@H]1CN(C(=O)CCc2ccco2)C[C@H]1[NH3+] ZINC000235657046 343054743 /nfs/dbraw/zinc/05/47/43/343054743.db2.gz WZYZPDHEGWGZBQ-GXSJLCMTSA-N 1 0 222.288 1.018 10 0 BDAERO CN(CCC[NH3+])c1nc2ccccc2n1C ZINC000212219936 343059142 /nfs/dbraw/zinc/05/91/42/343059142.db2.gz OYFCIRXJBSXATB-UHFFFAOYSA-N 1 0 218.304 1.358 10 0 BDAERO C(NC1=[NH+]CCCS1)[C@@H]1CCSC1 ZINC000228589482 362006094 /nfs/dbraw/zinc/00/60/94/362006094.db2.gz GIIQJBGMRIVGGT-QMMMGPOBSA-N 1 0 216.375 1.822 10 0 BDAERO Cc1ccc(C)c(OCC[C@@H](O)C[NH3+])c1 ZINC000019668540 178489558 /nfs/dbraw/zinc/48/95/58/178489558.db2.gz JHRYQILGDDKOSX-LLVKDONJSA-N 1 0 209.289 1.392 10 0 BDAERO [NH3+][C@H](CO)c1ccc(O)c2ccccc21 ZINC000072197941 343068616 /nfs/dbraw/zinc/06/86/16/343068616.db2.gz ASNFRVWOVZHHAR-LLVKDONJSA-N 1 0 203.241 1.538 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCCC(F)(F)C1 ZINC000259266662 343070560 /nfs/dbraw/zinc/07/05/60/343070560.db2.gz BAKGTBPEDUINMR-VIFPVBQESA-N 1 0 232.274 1.244 10 0 BDAERO C[C@@H]1C[NH+]=C(NC[C@@H]2CCSC2)S1 ZINC000228589107 362006282 /nfs/dbraw/zinc/00/62/82/362006282.db2.gz JGQDSZAWXAMCRS-SFYZADRCSA-N 1 0 216.375 1.820 10 0 BDAERO CNc1c(N)c[nH+]c2ccc(OC)cc21 ZINC000584882158 343084207 /nfs/dbraw/zinc/08/42/07/343084207.db2.gz QGBYAYIFMYEZJV-UHFFFAOYSA-N 1 0 203.245 1.289 10 0 BDAERO CCNc1c(N)c[nH+]c2c(COC)cccc12 ZINC000584882832 343085478 /nfs/dbraw/zinc/08/54/78/343085478.db2.gz VJIYTSPNVLCNEE-UHFFFAOYSA-N 1 0 231.299 1.817 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)C[C@@](C)(O)C(C)(C)C ZINC000584883279 343085939 /nfs/dbraw/zinc/08/59/39/343085939.db2.gz KFWAXTUXPLLCRD-CMPLNLGQSA-N 1 0 217.353 1.533 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+][C@@H](C2CC2)C1 ZINC000584882983 343085999 /nfs/dbraw/zinc/08/59/99/343085999.db2.gz CLUPJWQLOYDJFK-VHSXEESVSA-N 1 0 226.320 1.652 10 0 BDAERO CC[C@](O)(C[C@@H](O)C[NH2+]C(C)C)C(C)(C)C ZINC000584883297 343086223 /nfs/dbraw/zinc/08/62/23/343086223.db2.gz LCSSXVFSINHPQA-YPMHNXCESA-N 1 0 231.380 1.923 10 0 BDAERO CC[C@](O)(C[C@@H](O)C[NH2+]C(C)C)C(C)C ZINC000584883637 343086697 /nfs/dbraw/zinc/08/66/97/343086697.db2.gz XRJJDUJIPSZZMH-NEPJUHHUSA-N 1 0 217.353 1.533 10 0 BDAERO CCOc1cc(OC)c(C[C@H](C)[NH3+])cc1OC ZINC000013450439 343088682 /nfs/dbraw/zinc/08/86/82/343088682.db2.gz ITZLAXJQDMGDEO-VIFPVBQESA-N 1 0 239.315 1.992 10 0 BDAERO CCc1[nH+]c(N)nc(N)c1-c1ccc(OC)cc1 ZINC000013472715 343089382 /nfs/dbraw/zinc/08/93/82/343089382.db2.gz SRYOSRABCMAHOE-UHFFFAOYSA-N 1 0 244.298 1.879 10 0 BDAERO CC(C)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000306478407 343076591 /nfs/dbraw/zinc/07/65/91/343076591.db2.gz HEDJBQMQCVXLPB-ZJUUUORDSA-N 1 0 228.336 1.898 10 0 BDAERO O=C(C[NH2+]Cc1ccccc1)N1CCCC1 ZINC000013611615 343097442 /nfs/dbraw/zinc/09/74/42/343097442.db2.gz AUHIVEAPDFZGMQ-UHFFFAOYSA-N 1 0 218.300 1.399 10 0 BDAERO CN([C@@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000043501387 343098351 /nfs/dbraw/zinc/09/83/51/343098351.db2.gz HYAQEMZWGSOUSM-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO CCOC(C[C@H](C)C[NH+](C)C)OCC ZINC000043502903 343098981 /nfs/dbraw/zinc/09/89/81/343098981.db2.gz QWYGBCFCTMUNSR-JTQLQIEISA-N 1 0 203.326 1.973 10 0 BDAERO CCOC(OCC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000043504232 343101099 /nfs/dbraw/zinc/10/10/99/343101099.db2.gz DNDSCOZJRFBIHJ-LLVKDONJSA-N 1 0 241.331 1.296 10 0 BDAERO [NH3+][C@H](C[C@H]([NH3+])C(=O)[O-])c1ccc(Cl)cc1 ZINC000259452936 343121378 /nfs/dbraw/zinc/12/13/78/343121378.db2.gz OFFAAQFFKIRXMZ-BDAKNGLRSA-N 1 0 228.679 1.142 10 0 BDAERO C[C@H](C(N)=[NH2+])N1CCc2sccc2C1 ZINC000043515103 343116489 /nfs/dbraw/zinc/11/64/89/343116489.db2.gz YJHXTDXVJIJOKL-SSDOTTSWSA-N 1 0 209.318 1.431 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2cncn2C)C1 ZINC000176314532 365717182 /nfs/dbraw/zinc/71/71/82/365717182.db2.gz HLMNQKFDOHQEQZ-YPMHNXCESA-N 1 0 236.363 1.238 10 0 BDAERO C[C@H](CO)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000037888732 343144950 /nfs/dbraw/zinc/14/49/50/343144950.db2.gz FXGXJYXVRSVSCZ-IAQYHMDHSA-N 1 0 245.322 1.844 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CC(F)(F)F ZINC000133693188 343185966 /nfs/dbraw/zinc/18/59/66/343185966.db2.gz FESSARKLERZBJE-NKWVEPMBSA-N 1 0 224.226 1.277 10 0 BDAERO CCSCC[C@H](C)[NH2+]CC(C)(C)O ZINC000133892166 343186242 /nfs/dbraw/zinc/18/62/42/343186242.db2.gz UAYMNQPENNQMQF-VIFPVBQESA-N 1 0 205.367 1.879 10 0 BDAERO Cc1cc2c(N[C@H](C)C[C@H](C)[NH3+])nccn2n1 ZINC000130438975 343180629 /nfs/dbraw/zinc/18/06/29/343180629.db2.gz BIEAUZLNPSHUCG-DTWKUNHWSA-N 1 0 233.319 1.575 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000131566756 343183911 /nfs/dbraw/zinc/18/39/11/343183911.db2.gz COLRCSFUPYBSCW-NSHDSACASA-N 1 0 243.310 1.731 10 0 BDAERO C[C@]1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000094802514 343157295 /nfs/dbraw/zinc/15/72/95/343157295.db2.gz FHSQFJWANCPRLP-DGCLKSJQSA-N 1 0 240.347 1.061 10 0 BDAERO COC(=O)c1ccc(N[C@H]2CCC[NH2+]C2)nc1C ZINC000124439635 343167825 /nfs/dbraw/zinc/16/78/25/343167825.db2.gz IQZKALUHQHZFMQ-JTQLQIEISA-N 1 0 249.314 1.341 10 0 BDAERO CCSCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C ZINC000133924838 343186284 /nfs/dbraw/zinc/18/62/84/343186284.db2.gz XPJLNEOSOAMRMJ-RKDXNWHRSA-N 1 0 218.366 1.242 10 0 BDAERO CC(C)(O)C[NH2+]Cc1cn2ccsc2n1 ZINC000148697204 343195906 /nfs/dbraw/zinc/19/59/06/343195906.db2.gz XLKCEZIXBQQPGX-UHFFFAOYSA-N 1 0 225.317 1.256 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)CCSC ZINC000156806580 343198876 /nfs/dbraw/zinc/19/88/76/343198876.db2.gz PJCRLSAXSSFXMY-RKDXNWHRSA-N 1 0 218.366 1.194 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])O1 ZINC000158344116 343200741 /nfs/dbraw/zinc/20/07/41/343200741.db2.gz UREKYOUPXOZESV-DDHJBXDOSA-N 1 0 240.347 1.188 10 0 BDAERO COCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023440 136283982 /nfs/dbraw/zinc/28/39/82/136283982.db2.gz RAYXXFZJJQJTNL-NEPJUHHUSA-N 1 0 213.321 1.260 10 0 BDAERO COC(=O)c1cc([C@@H]2CCCC[NH2+]2)nn1C ZINC000260951931 343250616 /nfs/dbraw/zinc/25/06/16/343250616.db2.gz VACYCXLJBGKKAT-QMMMGPOBSA-N 1 0 223.276 1.021 10 0 BDAERO c1[nH]nc(-c2ccccc2)c1N1CC[NH2+]CC1 ZINC000145652247 343265478 /nfs/dbraw/zinc/26/54/78/343265478.db2.gz RUQQBOVFRBIOBE-UHFFFAOYSA-N 1 0 228.299 1.486 10 0 BDAERO COCC[C@@H](C[NH3+])c1cnc(C(F)(F)F)nc1 ZINC000217380926 343276927 /nfs/dbraw/zinc/27/69/27/343276927.db2.gz UTVLEAIPENQGAA-ZETCQYMHSA-N 1 0 249.236 1.574 10 0 BDAERO CCOC(=O)C1([C@@H]2[NH2+]C(C)(C)C[C@H](C)O2)CC1 ZINC000217346300 343277454 /nfs/dbraw/zinc/27/74/54/343277454.db2.gz PFINTFVJOUAOSH-VHSXEESVSA-N 1 0 241.331 1.833 10 0 BDAERO Cc1sc2[nH]c(C[NH3+])nc(=O)c2c1C ZINC000034938153 343281299 /nfs/dbraw/zinc/28/12/99/343281299.db2.gz POIKUILZEMRPOF-UHFFFAOYSA-N 1 0 209.274 1.060 10 0 BDAERO CC(C)(C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000070266421 343319115 /nfs/dbraw/zinc/31/91/15/343319115.db2.gz QXUCRVMCFPVOJJ-SNVBAGLBSA-N 1 0 210.321 1.339 10 0 BDAERO Cc1cc(C)nc(NC[C@H]([NH3+])C(C)C)n1 ZINC000070010812 343296985 /nfs/dbraw/zinc/29/69/85/343296985.db2.gz PCAYRMRCKDODSZ-JTQLQIEISA-N 1 0 208.309 1.489 10 0 BDAERO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)C(N)=O ZINC000035793228 343304423 /nfs/dbraw/zinc/30/44/23/343304423.db2.gz FPAOELVJKZYPOD-VHSXEESVSA-N 1 0 236.315 1.610 10 0 BDAERO CC[NH+]1CCC(C2=NO[C@@H]3NCCCC=C23)CC1 ZINC000038805207 343379391 /nfs/dbraw/zinc/37/93/91/343379391.db2.gz HLBHHROWQDEZGV-AWEZNQCLSA-N 1 0 249.358 1.740 10 0 BDAERO CCOc1ccccc1[C@@H](C)[NH2+]CC(=O)NC ZINC000037224785 343340566 /nfs/dbraw/zinc/34/05/66/343340566.db2.gz OMQYRIBLSXXXJC-SNVBAGLBSA-N 1 0 236.315 1.482 10 0 BDAERO COC(=O)c1ccccc1NC(=O)C[C@H](C)[NH3+] ZINC000037607399 343349017 /nfs/dbraw/zinc/34/90/17/343349017.db2.gz SRPCOBQSQKKPSZ-QMMMGPOBSA-N 1 0 236.271 1.149 10 0 BDAERO C[C@H]1CN(C[C@@H]([NH3+])C(C)(C)C)CCO1 ZINC000023066915 344030703 /nfs/dbraw/zinc/03/07/03/344030703.db2.gz WCVOUIRTFLAVKT-VHSXEESVSA-N 1 0 200.326 1.081 10 0 BDAERO Fc1cc2c(cc1F)[C@H]1C[NH2+]CCN1CC2 ZINC000040443201 343403702 /nfs/dbraw/zinc/40/37/02/343403702.db2.gz UAXIRPAQLMNUHQ-GFCCVEGCSA-N 1 0 224.254 1.467 10 0 BDAERO CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000041047202 343413311 /nfs/dbraw/zinc/41/33/11/343413311.db2.gz YYZORSJIGXJVRI-LOWVWBTDSA-N 1 0 208.349 1.859 10 0 BDAERO [NH3+]CC(=O)Cc1sccc1Br ZINC000167758385 346936734 /nfs/dbraw/zinc/93/67/34/346936734.db2.gz QIJJVTVFONCFDW-UHFFFAOYSA-N 1 0 234.118 1.581 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1csnn1 ZINC000398230892 488215480 /nfs/dbraw/zinc/21/54/80/488215480.db2.gz IGSLXXROBZDIRS-GUBZILKMSA-N 1 0 241.360 1.740 10 0 BDAERO CC(C)([NH3+])c1cn(CC[C@@H]2CCCCO2)nn1 ZINC000641084255 362206299 /nfs/dbraw/zinc/20/62/99/362206299.db2.gz IYSNFARHWADYKF-JTQLQIEISA-N 1 0 238.335 1.431 10 0 BDAERO Cc1nccc(C[NH2+][C@H](C)Cn2ccnc2)n1 ZINC000054790647 136373233 /nfs/dbraw/zinc/37/32/33/136373233.db2.gz UOHCDIPFEZLWFB-SNVBAGLBSA-N 1 0 231.303 1.160 10 0 BDAERO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000042545297 343443161 /nfs/dbraw/zinc/44/31/61/343443161.db2.gz BJBKCVVGFIFJTQ-QWRGUYRKSA-N 1 0 214.353 1.484 10 0 BDAERO COC(=O)[C@H](C)Nc1ccc(N(C)C)cc1 ZINC000043627070 343478898 /nfs/dbraw/zinc/47/88/98/343478898.db2.gz HMMJTFGQCMGPEW-VIFPVBQESA-N 1 0 222.288 1.726 10 0 BDAERO CCCc1nsc(NC[C@H]([NH3+])CC)n1 ZINC000083670830 343494930 /nfs/dbraw/zinc/49/49/30/343494930.db2.gz QRTGYTYFNAJRHA-SSDOTTSWSA-N 1 0 214.338 1.640 10 0 BDAERO CCc1nsc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000083670857 343494979 /nfs/dbraw/zinc/49/49/79/343494979.db2.gz OLLNIAXVASOSRP-MRVPVSSYSA-N 1 0 228.365 1.886 10 0 BDAERO CC[C@@H]1C[NH+]([C@@H]2CCC[C@H]2O)C[C@@H](CC)O1 ZINC000398597285 488220826 /nfs/dbraw/zinc/22/08/26/488220826.db2.gz SMLUMTGPDWWIFB-FDYHWXHSSA-N 1 0 227.348 1.789 10 0 BDAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000082917684 343470799 /nfs/dbraw/zinc/47/07/99/343470799.db2.gz HDOXBIUWROUGGJ-DGCLKSJQSA-N 1 0 205.301 1.892 10 0 BDAERO NC(=O)c1cccc([C@H]2CCC[NH2+]CC2)c1 ZINC000616630419 343527296 /nfs/dbraw/zinc/52/72/96/343527296.db2.gz YBHHKTOGEIDRFW-JTQLQIEISA-N 1 0 218.300 1.643 10 0 BDAERO Oc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000165162040 343550849 /nfs/dbraw/zinc/55/08/49/343550849.db2.gz YCIVAWHIAKUWTH-KBPBESRZSA-N 1 0 235.327 1.828 10 0 BDAERO CC(C)[C@H](C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000172499237 534941859 /nfs/dbraw/zinc/94/18/59/534941859.db2.gz JKBSAPFGKXYXRH-NEPJUHHUSA-N 1 0 241.379 1.624 10 0 BDAERO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000618189094 343499008 /nfs/dbraw/zinc/49/90/08/343499008.db2.gz WLHOKMNKJMSKHA-ZSBIGDGJSA-N 1 0 222.332 1.053 10 0 BDAERO CC1(c2ccc(CCC[NH3+])cc2)OCCO1 ZINC000204371467 343564882 /nfs/dbraw/zinc/56/48/82/343564882.db2.gz ILPISNFHVCLRQM-UHFFFAOYSA-N 1 0 221.300 1.797 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000624238006 343583505 /nfs/dbraw/zinc/58/35/05/343583505.db2.gz IMXJBGOQZROJCM-NEPJUHHUSA-N 1 0 225.332 1.449 10 0 BDAERO c1nc2c([nH]1)[C@]1(C[C@H]3CCCC[C@@H]31)[NH2+]CC2 ZINC000712471478 537787680 /nfs/dbraw/zinc/78/76/80/537787680.db2.gz WVCUGRLNAOUWSV-GBIKHYSHSA-N 1 0 217.316 1.961 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000624236764 343581613 /nfs/dbraw/zinc/58/16/13/343581613.db2.gz JAJKMZJERPZRKK-PFSRBDOWSA-N 1 0 247.338 1.672 10 0 BDAERO [NH3+]CC[C@@H]1C(=O)Nc2c1c(Cl)ccc2F ZINC000110476260 537797576 /nfs/dbraw/zinc/79/75/76/537797576.db2.gz QDFXCNUIFVGETE-YFKPBYRVSA-N 1 0 228.654 1.864 10 0 BDAERO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)sn1 ZINC000399162053 488227840 /nfs/dbraw/zinc/22/78/40/488227840.db2.gz JDOKKCZMVWHAEP-SCZZXKLOSA-N 1 0 242.344 1.809 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1ccc(O)cc1 ZINC000054685484 343690015 /nfs/dbraw/zinc/69/00/15/343690015.db2.gz RKURTQVWXSRGCI-LSDHHAIUSA-N 1 0 243.306 1.996 10 0 BDAERO NC(=[NH2+])Cc1sccc1Br ZINC000043675689 343698818 /nfs/dbraw/zinc/69/88/18/343698818.db2.gz ABBKPBSSPHLNHD-UHFFFAOYSA-N 1 0 219.107 1.989 10 0 BDAERO FC(F)C(F)(F)CNC1=[NH+]CCCS1 ZINC000230719382 346955445 /nfs/dbraw/zinc/95/54/45/346955445.db2.gz CBXGIWSAUAUIKI-UHFFFAOYSA-N 1 0 230.230 1.969 10 0 BDAERO C[C@H]1COC[C@@H](CC(=O)c2ccsc2)[NH2+]1 ZINC000124436241 537805060 /nfs/dbraw/zinc/80/50/60/537805060.db2.gz NHGBKLVHISGGDC-WCBMZHEXSA-N 1 0 225.313 1.698 10 0 BDAERO C[C@H]1COC[C@@H](CC(=O)c2ccco2)[NH2+]1 ZINC000124431794 537805407 /nfs/dbraw/zinc/80/54/07/537805407.db2.gz VHCIVBVPEPVIPR-DTWKUNHWSA-N 1 0 209.245 1.229 10 0 BDAERO Cc1nc2c3c(cccc3F)[nH][n+]2c(C)n1 ZINC000380514543 259370062 /nfs/dbraw/zinc/37/00/62/259370062.db2.gz REYKQQFESBOWFH-UHFFFAOYSA-O 1 0 217.227 1.453 10 0 BDAERO C[C@H]1CNC[C@H](C)[NH+]1C[Si](C)(C)C ZINC000401840581 343775944 /nfs/dbraw/zinc/77/59/44/343775944.db2.gz HBLFIUAMOLNACX-UWVGGRQHSA-N 1 0 200.402 1.546 10 0 BDAERO CSc1ccc(Cn2cc(C[NH3+])nn2)cc1 ZINC000050224818 343782454 /nfs/dbraw/zinc/78/24/54/343782454.db2.gz RABQAWKJBJQEJG-UHFFFAOYSA-N 1 0 234.328 1.507 10 0 BDAERO CCOC1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000040689981 343784069 /nfs/dbraw/zinc/78/40/69/343784069.db2.gz GUNJAPAUYNVINW-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO [NH3+]CCCc1cnn(C2CCOCC2)c1 ZINC000107386175 343785640 /nfs/dbraw/zinc/78/56/40/343785640.db2.gz ACRIYESGDOYXMO-UHFFFAOYSA-N 1 0 209.293 1.126 10 0 BDAERO C1CCc2c(n[nH]c2[C@H]2CCC[NH2+]C2)C1 ZINC000107242161 343785847 /nfs/dbraw/zinc/78/58/47/343785847.db2.gz BDXDEJJORDBSHT-VIFPVBQESA-N 1 0 205.305 1.756 10 0 BDAERO CNc1cc(N2CCOCC2)nc(C2CC2)[nH+]1 ZINC000126856091 343786695 /nfs/dbraw/zinc/78/66/95/343786695.db2.gz WLGSYRPSSAQJBO-UHFFFAOYSA-N 1 0 234.303 1.232 10 0 BDAERO CC(C)[C@H]1C[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000118246201 343786772 /nfs/dbraw/zinc/78/67/72/343786772.db2.gz IRVJMBINNUQSFO-NXEZZACHSA-N 1 0 228.336 1.755 10 0 BDAERO CCc1cc(CC)n([C@H]2CCC[NH2+]C2)n1 ZINC000132499305 343788051 /nfs/dbraw/zinc/78/80/51/343788051.db2.gz WCGMQUZMFINBPO-LBPRGKRZSA-N 1 0 207.321 1.932 10 0 BDAERO CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1C[NH2+]C2 ZINC000199553470 343791792 /nfs/dbraw/zinc/79/17/92/343791792.db2.gz SRIHMDKPBXOVAD-BXKDBHETSA-N 1 0 226.320 1.511 10 0 BDAERO Fc1ccc(-c2nc([C@@H]3CC[NH2+]C3)no2)cc1 ZINC000216769420 343792353 /nfs/dbraw/zinc/79/23/53/343792353.db2.gz UXPRJWZUOGCTEK-SECBINFHSA-N 1 0 233.246 1.953 10 0 BDAERO [NH3+]CCCN1CCOc2ccc(Cl)cc2C1 ZINC000214514502 343792484 /nfs/dbraw/zinc/79/24/84/343792484.db2.gz YPMQENUZVNFCRF-UHFFFAOYSA-N 1 0 240.734 1.883 10 0 BDAERO c1cn(CCN2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000179249371 346978051 /nfs/dbraw/zinc/97/80/51/346978051.db2.gz DGQCSNMIENPFME-CYBMUJFWSA-N 1 0 234.347 1.053 10 0 BDAERO O=Cc1cn([C@@H]2CCC[N@H+](CC3CC3)C2)nn1 ZINC000409427259 343800607 /nfs/dbraw/zinc/80/06/07/343800607.db2.gz VMBBGINZARDTQY-GFCCVEGCSA-N 1 0 234.303 1.138 10 0 BDAERO COC[C@@H]1CC(F)(F)CN1C1CC[NH2+]CC1 ZINC000409427772 343801689 /nfs/dbraw/zinc/80/16/89/343801689.db2.gz FKDUKDJTFHMHEY-JTQLQIEISA-N 1 0 234.290 1.094 10 0 BDAERO C[C@H](Cc1ccccc1)[N@@H+]1CC[C@H](O)C1 ZINC000409422148 343812744 /nfs/dbraw/zinc/81/27/44/343812744.db2.gz BIBDXFAWHNINPY-YPMHNXCESA-N 1 0 205.301 1.684 10 0 BDAERO [NH3+]C[C@@H]1CCCN(c2cc(C3CC3)[nH]n2)C1 ZINC000409422505 343813957 /nfs/dbraw/zinc/81/39/57/343813957.db2.gz HLINVNFMIRSQLT-VIFPVBQESA-N 1 0 220.320 1.462 10 0 BDAERO [NH3+][C@H]1CCc2nnc(N3CCCCC3)cc2C1 ZINC000409422843 343814192 /nfs/dbraw/zinc/81/41/92/343814192.db2.gz KWGSHNQSRPJQNT-NSHDSACASA-N 1 0 232.331 1.283 10 0 BDAERO c1csc(-c2nc(CC3C[NH2+]C3)no2)c1 ZINC000409423183 343814952 /nfs/dbraw/zinc/81/49/52/343814952.db2.gz LULZECJKLJVIBJ-UHFFFAOYSA-N 1 0 221.285 1.560 10 0 BDAERO C=Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000409423995 343816687 /nfs/dbraw/zinc/81/66/87/343816687.db2.gz SHLQFAHFMZYDJE-ZDUSSCGKSA-N 1 0 203.285 1.896 10 0 BDAERO Cc1nc([C@H]2C[NH2+]C[C@@H]2c2ccccn2)no1 ZINC000409424073 343816744 /nfs/dbraw/zinc/81/67/44/343816744.db2.gz SXBBLFRKMLHZFF-UWVGGRQHSA-N 1 0 230.271 1.244 10 0 BDAERO COc1cccc2c1CCN2C1CC[NH2+]CC1 ZINC000409424205 343817249 /nfs/dbraw/zinc/81/72/49/343817249.db2.gz BPXWPOCARSQFPR-UHFFFAOYSA-N 1 0 232.327 1.810 10 0 BDAERO O=Cc1cn(C2CC[NH+](CC3CC3)CC2)nn1 ZINC000409425441 343819364 /nfs/dbraw/zinc/81/93/64/343819364.db2.gz LZUFHEGXWAEMNT-UHFFFAOYSA-N 1 0 234.303 1.138 10 0 BDAERO CC(F)(F)[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000409425787 343820353 /nfs/dbraw/zinc/82/03/53/343820353.db2.gz GVTGFVPNJOWBTP-VIFPVBQESA-N 1 0 232.274 1.100 10 0 BDAERO [NH3+]C[C@H](CC(F)(F)F)C1CCOCC1 ZINC000409426088 343821388 /nfs/dbraw/zinc/82/13/88/343821388.db2.gz OARJBINFTXUFEI-QMMMGPOBSA-N 1 0 211.227 1.940 10 0 BDAERO COc1cccc2c1CCN2CCC[NH3+] ZINC000409426389 343822281 /nfs/dbraw/zinc/82/22/81/343822281.db2.gz HXKIYQWPBRMNPJ-UHFFFAOYSA-N 1 0 206.289 1.407 10 0 BDAERO O=C(C1CC[NH2+]CC1)N1CC[C@@H](C(F)F)C1 ZINC000409432206 343825683 /nfs/dbraw/zinc/82/56/83/343825683.db2.gz UUZGEBMMGDRKKS-SECBINFHSA-N 1 0 232.274 1.100 10 0 BDAERO COCc1ccc2c(c1)N(C(=O)[C@@H](C)[NH3+])CC2 ZINC000409432289 343826025 /nfs/dbraw/zinc/82/60/25/343826025.db2.gz KYSDHAQBDHIYIA-SECBINFHSA-N 1 0 234.299 1.069 10 0 BDAERO [NH2+]=C(CN1C[C@@H]2CCCC(F)(F)[C@H]2C1)NO ZINC000409428710 343804143 /nfs/dbraw/zinc/80/41/43/343804143.db2.gz MVWLYYWDDIWRQS-YUMQZZPRSA-N 1 0 233.262 1.310 10 0 BDAERO [NH3+]C[C@@H]1CCCN(c2nccnc2Cl)C1 ZINC000409429294 343805228 /nfs/dbraw/zinc/80/52/28/343805228.db2.gz QNUSDFHDQYPSMK-QMMMGPOBSA-N 1 0 226.711 1.305 10 0 BDAERO C[C@H]1CCCCN1c1cc(OCC[NH3+])ncn1 ZINC000409429350 343805284 /nfs/dbraw/zinc/80/52/84/343805284.db2.gz KETIDAKGSKGSAF-JTQLQIEISA-N 1 0 236.319 1.193 10 0 BDAERO [NH3+]CCN1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409429592 343806009 /nfs/dbraw/zinc/80/60/09/343806009.db2.gz OTQJLZQOJWJNRS-BDAKNGLRSA-N 1 0 204.264 1.312 10 0 BDAERO C1C[C@H]2COCC[N@@H+](C3CC[NH2+]CC3)[C@@H]2C1 ZINC000409430326 343808059 /nfs/dbraw/zinc/80/80/59/343808059.db2.gz VFRJYNBGLZBNRG-WCQYABFASA-N 1 0 224.348 1.239 10 0 BDAERO Cc1cc(-c2ccccn2)nn1CC(N)=[NH2+] ZINC000409441074 343855047 /nfs/dbraw/zinc/85/50/47/343855047.db2.gz PZTIJLSVUVFEEG-UHFFFAOYSA-N 1 0 215.260 1.189 10 0 BDAERO NC(=[NH2+])Cn1cc(-c2cccs2)cn1 ZINC000409441159 343855575 /nfs/dbraw/zinc/85/55/75/343855575.db2.gz WWQDLXHXKMDIQW-UHFFFAOYSA-N 1 0 206.274 1.548 10 0 BDAERO CCOC[C@H]1CN(C(N)=[NH2+])C[C@H]1C(F)(F)F ZINC000409433005 343828837 /nfs/dbraw/zinc/82/88/37/343828837.db2.gz MBRQQSQCULYXAW-RNFRBKRXSA-N 1 0 239.241 1.027 10 0 BDAERO CC(F)(F)C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000409433056 343828840 /nfs/dbraw/zinc/82/88/40/343828840.db2.gz XDEZEWVSZQQFHI-SNVBAGLBSA-N 1 0 246.301 1.632 10 0 BDAERO COC[C@@H]1CN(C(=O)C[NH3+])CC12CCCCC2 ZINC000409433933 343830973 /nfs/dbraw/zinc/83/09/73/343830973.db2.gz NTZVMKRPHQVIPY-NSHDSACASA-N 1 0 240.347 1.000 10 0 BDAERO [NH3+]CCC[N@H+](C1CC1)C1CCSCC1 ZINC000409435531 343833858 /nfs/dbraw/zinc/83/38/58/343833858.db2.gz VICRTUGAARGTPJ-UHFFFAOYSA-N 1 0 214.378 1.695 10 0 BDAERO COc1ccccc1Cc1cc(C[NH3+])ncn1 ZINC000409436522 343837952 /nfs/dbraw/zinc/83/79/52/343837952.db2.gz FCHAJTJDMWGGQQ-UHFFFAOYSA-N 1 0 229.283 1.535 10 0 BDAERO C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H]1CCCO1 ZINC000392765164 349875912 /nfs/dbraw/zinc/87/59/12/349875912.db2.gz SHGKNUYQTQSBHV-MWLCHTKSSA-N 1 0 222.288 1.444 10 0 BDAERO COC1CC([C@@H]2[NH2+]CCc3ccoc32)C1 ZINC000714509711 537822394 /nfs/dbraw/zinc/82/23/94/537822394.db2.gz YAOFYPHXGJXMFU-ILDUYXDCSA-N 1 0 207.273 1.891 10 0 BDAERO CC(C)Cn1ccn2ncc(C(N)=[NH2+])c12 ZINC000409438469 343844260 /nfs/dbraw/zinc/84/42/60/343844260.db2.gz MYRMLTJIAHQVFI-UHFFFAOYSA-N 1 0 205.265 1.076 10 0 BDAERO c1cn([C@@H]2CCC[NH2+]C2)nc1-c1cnccn1 ZINC000409438683 343844908 /nfs/dbraw/zinc/84/49/08/343844908.db2.gz FCVGLLFRHJRBEY-SNVBAGLBSA-N 1 0 229.287 1.265 10 0 BDAERO [NH3+][C@@H](C[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)[O-] ZINC000409438944 343845784 /nfs/dbraw/zinc/84/57/84/343845784.db2.gz FDERBAPGJDUIQS-QWHCGFSZSA-N 1 0 248.326 1.626 10 0 BDAERO Nc1cc(C(F)(F)F)nn1[C@@H]1CCC[NH2+]C1 ZINC000409439202 343846929 /nfs/dbraw/zinc/84/69/29/343846929.db2.gz OIHMTGYOAJNAQO-ZCFIWIBFSA-N 1 0 234.225 1.409 10 0 BDAERO [NH3+]C[C@@H](O)c1ccc(N2CCCCC2)o1 ZINC000409439650 343847838 /nfs/dbraw/zinc/84/78/38/343847838.db2.gz HTAIQSFNKBKICR-SECBINFHSA-N 1 0 210.277 1.262 10 0 BDAERO Cc1nc(C[NH3+])cc(-c2ccsc2)n1 ZINC000409439679 343847947 /nfs/dbraw/zinc/84/79/47/343847947.db2.gz SWKHFVVGPHPYMT-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO C[N@@H+]1C[C@H](CO)C[C@@H]1c1ccc(F)cc1 ZINC000409437781 343848841 /nfs/dbraw/zinc/84/88/41/343848841.db2.gz BGACITNEZTWFQD-BXKDBHETSA-N 1 0 209.264 1.811 10 0 BDAERO [NH3+]Cc1cc([C@H]2CCCO2)nc(C2CC2)n1 ZINC000409440235 343851069 /nfs/dbraw/zinc/85/10/69/343851069.db2.gz WKAVNYDANLTIHZ-LLVKDONJSA-N 1 0 219.288 1.664 10 0 BDAERO NC(=[NH2+])Cn1nc(C2CC2)cc1C1CC1 ZINC000409440200 343851087 /nfs/dbraw/zinc/85/10/87/343851087.db2.gz LLNPSDDAYQLMNY-UHFFFAOYSA-N 1 0 204.277 1.574 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCOC1CCOCC1 ZINC000625457229 343859656 /nfs/dbraw/zinc/85/96/56/343859656.db2.gz JSRCQYPFLQVYCM-YPMHNXCESA-N 1 0 243.347 1.027 10 0 BDAERO [NH3+]Cc1cn(CC2CC2)nc1-c1ccccn1 ZINC000409441711 343860645 /nfs/dbraw/zinc/86/06/45/343860645.db2.gz ZNVVILRVETXSDO-UHFFFAOYSA-N 1 0 228.299 1.814 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)CC ZINC000081925476 537831460 /nfs/dbraw/zinc/83/14/60/537831460.db2.gz YDAKWBCAEDHZNL-UWVGGRQHSA-N 1 0 219.350 1.342 10 0 BDAERO [NH2+]=C(NO)[C@@H](c1cccs1)N1CCOCC1 ZINC000409441832 343861270 /nfs/dbraw/zinc/86/12/70/343861270.db2.gz RNECIWHKGXCKGR-SECBINFHSA-N 1 0 241.316 1.077 10 0 BDAERO OCc1cc(C2CC[NH2+]CC2)nn1CC1CC1 ZINC000409443828 343863478 /nfs/dbraw/zinc/86/34/78/343863478.db2.gz VATFLXRBORWSII-UHFFFAOYSA-N 1 0 235.331 1.252 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000409442728 343864556 /nfs/dbraw/zinc/86/45/56/343864556.db2.gz ZTWAGRGEIDLVGH-RYUDHWBXSA-N 1 0 244.294 1.423 10 0 BDAERO NC(=[NH2+])c1cc(-c2ccsc2)nn1CCF ZINC000409443446 343867305 /nfs/dbraw/zinc/86/73/05/343867305.db2.gz NDYXSALMHYOCOO-UHFFFAOYSA-N 1 0 238.291 1.865 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000070578180 178598253 /nfs/dbraw/zinc/59/82/53/178598253.db2.gz VXLFHJVVNQDHMR-WDEREUQCSA-N 1 0 236.315 1.722 10 0 BDAERO CC[N@@H+]1CCC[C@H](N[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000345363683 343909831 /nfs/dbraw/zinc/90/98/31/343909831.db2.gz WHNFSEROLFOWDY-AGIUHOORSA-N 1 0 248.374 1.963 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2cc(N)ns2)C1 ZINC000234329654 343941669 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345477196 /nfs/dbraw/zinc/47/71/96/345477196.db2.gz XZWYZDHGOWTHNG-SECBINFHSA-N 1 0 224.279 1.289 10 0 BDAERO NC1=[NH+]N(c2ccc(Br)cn2)CC1 ZINC000137430848 345629745 /nfs/dbraw/zinc/62/97/45/345629745.db2.gz MYBIXWHZVQCZDB-UHFFFAOYSA-N 1 0 241.092 1.326 10 0 BDAERO Cc1n[nH]cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000093586140 345661807 /nfs/dbraw/zinc/66/18/07/345661807.db2.gz WZSMTHNSOPTUHI-KGLIPLIRSA-N 1 0 249.358 1.845 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000161571816 345647193 /nfs/dbraw/zinc/64/71/93/345647193.db2.gz KSFAQTRQVIPVBG-PHIMTYICSA-N 1 0 228.336 1.010 10 0 BDAERO C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000095193179 345683100 /nfs/dbraw/zinc/68/31/00/345683100.db2.gz UROXDWSIVOKRFT-UHFFFAOYSA-N 1 0 221.239 1.067 10 0 BDAERO c1ccc(C2(N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000216201125 345743230 /nfs/dbraw/zinc/74/32/30/345743230.db2.gz XWRVBLJLAKEOIU-LBPRGKRZSA-N 1 0 202.301 1.627 10 0 BDAERO CO[C@H]1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC000221533473 345736481 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/nfs/dbraw/zinc/94/20/66/537942066.db2.gz FSVUPSDLNJYPLG-NSHDSACASA-N 1 0 206.289 1.519 10 0 BDAERO Cc1ccc2n1CCN(C(=O)CC[NH3+])[C@H]2C ZINC000037798405 178972479 /nfs/dbraw/zinc/97/24/79/178972479.db2.gz UDYXMKZFGQXKHW-JTQLQIEISA-N 1 0 221.304 1.049 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)c1cncc(F)c1 ZINC000235506709 323105900 /nfs/dbraw/zinc/10/59/00/323105900.db2.gz XAFDMQNWRSNZTD-QTZUAFFRSA-N 1 0 224.279 1.642 10 0 BDAERO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[NH2+]C2)O1 ZINC000669371691 537948382 /nfs/dbraw/zinc/94/83/82/537948382.db2.gz QEFGLKSVHNKOKI-HIFRSBDPSA-N 1 0 246.354 1.639 10 0 BDAERO Cc1ncc([C@@H]([NH3+])[C@H]2CCCOC2)s1 ZINC000235950057 346174129 /nfs/dbraw/zinc/17/41/29/346174129.db2.gz YKMZIXHIYBLAPC-WPRPVWTQSA-N 1 0 212.318 1.878 10 0 BDAERO CC(C)(C)[C@H]([NH3+])CN1CCCOCC1 ZINC000061917757 346180169 /nfs/dbraw/zinc/18/01/69/346180169.db2.gz LNTMFWYIOWWDKX-SNVBAGLBSA-N 1 0 200.326 1.082 10 0 BDAERO CCC[NH+]1CCC([C@H](C)S(=O)(=O)NC)CC1 ZINC000669375390 537955292 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SMJCECNOPYALHJ-XVMARJQXSA-N 1 0 213.199 1.070 10 0 BDAERO C[C@H]([NH3+])CS[C@@H]1CCCCC[C@H]1O ZINC000250973147 362828902 /nfs/dbraw/zinc/82/89/02/362828902.db2.gz GBBIWJKDQMHHTH-IVZWLZJFSA-N 1 0 203.351 1.760 10 0 BDAERO Cc1ccccc1-c1nc(CC[NH3+])cc(=O)[nH]1 ZINC000058055675 179238038 /nfs/dbraw/zinc/23/80/38/179238038.db2.gz NRKABLYARZJYTI-UHFFFAOYSA-N 1 0 229.283 1.247 10 0 BDAERO Cc1ccccc1C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000037540949 179245956 /nfs/dbraw/zinc/24/59/56/179245956.db2.gz UUPIATANLRUIPY-LBPRGKRZSA-N 1 0 232.327 1.819 10 0 BDAERO CC1=CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000390646349 259396067 /nfs/dbraw/zinc/39/60/67/259396067.db2.gz ODHWAXYCVIUZJS-SDDRHHMPSA-N 1 0 222.332 1.742 10 0 BDAERO CC[C@H]([NH3+])[C@H](O)c1ccc(OC)cc1OC ZINC000036779464 347576282 /nfs/dbraw/zinc/57/62/82/347576282.db2.gz QRAQXGSZRPSRHU-CMPLNLGQSA-N 1 0 225.288 1.475 10 0 BDAERO Cc1ccccc1CCC[NH2+]CCCO ZINC000076284387 179261125 /nfs/dbraw/zinc/26/11/25/179261125.db2.gz GQUHVWPQLKGXMS-UHFFFAOYSA-N 1 0 207.317 1.900 10 0 BDAERO Cc1ccccc1CCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185151126 179261600 /nfs/dbraw/zinc/26/16/00/179261600.db2.gz QYQVKWZCJSAWMQ-HUUCEWRRSA-N 1 0 249.354 1.355 10 0 BDAERO Cc1ccccc1C1CC([NH2+]CC(N)=O)C1 ZINC000036840681 179256264 /nfs/dbraw/zinc/25/62/64/179256264.db2.gz CYTDOZJITMYMSJ-UHFFFAOYSA-N 1 0 218.300 1.316 10 0 BDAERO Cc1ccccc1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170860210 179257124 /nfs/dbraw/zinc/25/71/24/179257124.db2.gz WPHRVTSLOWNXGV-AWEZNQCLSA-N 1 0 246.354 1.700 10 0 BDAERO Cc1ccccc1CC[C@@H]1COCC[NH2+]1 ZINC000071509382 179266709 /nfs/dbraw/zinc/26/67/09/179266709.db2.gz BNCZGCOZFUINSP-CYBMUJFWSA-N 1 0 205.301 1.916 10 0 BDAERO Cc1ccccc1N(C)C(=O)C(C)(C)C[NH3+] ZINC000049987075 179294159 /nfs/dbraw/zinc/29/41/59/179294159.db2.gz JEKRJZGQGYAWCB-UHFFFAOYSA-N 1 0 220.316 1.943 10 0 BDAERO Cc1ccccc1N(C)C(=O)[C@H](C)C[NH3+] ZINC000049987089 179294448 /nfs/dbraw/zinc/29/44/48/179294448.db2.gz CIIZFEOQXJLKKF-SNVBAGLBSA-N 1 0 206.289 1.553 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616569729 347816476 /nfs/dbraw/zinc/81/64/76/347816476.db2.gz CMIWWPLTNKHKSF-VHSXEESVSA-N 1 0 210.321 1.385 10 0 BDAERO Cc1ccccc1C[C@@H]([NH3+])c1cnn(C)c1 ZINC000026514328 179290070 /nfs/dbraw/zinc/29/00/70/179290070.db2.gz OQQRFFSPPQOZJG-CYBMUJFWSA-N 1 0 215.300 1.971 10 0 BDAERO Cc1ccccc1NC(=O)[C@H](C)CC[NH3+] ZINC000076583647 179301947 /nfs/dbraw/zinc/30/19/47/179301947.db2.gz ZFLYCCYVLXEDID-SNVBAGLBSA-N 1 0 206.289 1.918 10 0 BDAERO S=C1Oc2ccccc2C2=NCCCN12 ZINC000196249072 347844088 /nfs/dbraw/zinc/84/40/88/347844088.db2.gz HKDJCRDJEKJPFA-UHFFFAOYSA-N 1 0 218.281 1.816 10 0 BDAERO Cc1ccccc1NC(=O)COC[C@@H]1CCC[NH2+]1 ZINC000031840198 179299512 /nfs/dbraw/zinc/29/95/12/179299512.db2.gz WGPBGPJNANIFEE-LBPRGKRZSA-N 1 0 248.326 1.702 10 0 BDAERO Cc1ccccc1OCCN1CCC[C@H]1C[NH3+] ZINC000019933320 179310972 /nfs/dbraw/zinc/31/09/72/179310972.db2.gz HYXDVGZBMGEOOM-ZDUSSCGKSA-N 1 0 234.343 1.797 10 0 BDAERO Cc1ccccc1[C@@H]([NH2+]C1CC1)C(N)=O ZINC000037870476 179325540 /nfs/dbraw/zinc/32/55/40/179325540.db2.gz VZQHQMXKJONILE-LLVKDONJSA-N 1 0 204.273 1.273 10 0 BDAERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(CCO)C1CC1 ZINC000043037115 179328749 /nfs/dbraw/zinc/32/87/49/179328749.db2.gz MFDFWDSDOIEKIJ-IUODEOHRSA-N 1 0 248.370 1.840 10 0 BDAERO CC(C)(C)c1nc([C@@H]2CC[NH2+]C2)cc(=O)[nH]1 ZINC000669381913 537997520 /nfs/dbraw/zinc/99/75/20/537997520.db2.gz ACPDEUYCLPKOTF-MRVPVSSYSA-N 1 0 221.304 1.557 10 0 BDAERO Cc1ccccc1[C@H]([NH3+])CS(C)(=O)=O ZINC000052788799 179344112 /nfs/dbraw/zinc/34/41/12/179344112.db2.gz JQHOAEXCKJLIFJ-SNVBAGLBSA-N 1 0 213.302 1.039 10 0 BDAERO Cc1ccccc1[C@H]([NH2+]C[C@@H]1CCCO1)C(N)=O ZINC000037943052 179345201 /nfs/dbraw/zinc/34/52/01/179345201.db2.gz GXKGQOGMVRSJIG-AAEUAGOBSA-N 1 0 248.326 1.290 10 0 BDAERO Cc1cccnc1-c1nc([C@H](C)[NH3+])no1 ZINC000051813745 179356366 /nfs/dbraw/zinc/35/63/66/179356366.db2.gz IFHLSKSDFOLLBR-ZETCQYMHSA-N 1 0 204.233 1.460 10 0 BDAERO 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CCc1nc([C@H]2CC[N@H+](C)C2)cc(=O)[nH]1 ZINC000669382515 538004124 /nfs/dbraw/zinc/00/41/24/538004124.db2.gz MAHXSFWTIXYSKW-QMMMGPOBSA-N 1 0 207.277 1.164 10 0 BDAERO Cc1cc[nH+]c(NCCC(=O)N(C)C)c1 ZINC000043561512 179441863 /nfs/dbraw/zinc/44/18/63/179441863.db2.gz IVGVZSMKJNTFJR-UHFFFAOYSA-N 1 0 207.277 1.280 10 0 BDAERO CCOC(=O)[C@@H]1O[C@@]12CCC[C@H]([NH+](C)C)C2 ZINC000669383167 538007773 /nfs/dbraw/zinc/00/77/73/538007773.db2.gz NTVBTCXQKJBXGG-JBLDHEPKSA-N 1 0 227.304 1.191 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(C#N)cnn1 ZINC000396938155 350000129 /nfs/dbraw/zinc/00/01/29/350000129.db2.gz FRYCPUJQFPVODE-CMPLNLGQSA-N 1 0 243.314 1.021 10 0 BDAERO CN(CC[NH3+])c1nc2ccc(F)cc2n1C ZINC000212501200 348657905 /nfs/dbraw/zinc/65/79/05/348657905.db2.gz LYNUYRCYSYJOCG-UHFFFAOYSA-N 1 0 222.267 1.107 10 0 BDAERO CC(C)c1ccc([C@](C)([NH3+])C(N)=O)cc1 ZINC000037460129 348614510 /nfs/dbraw/zinc/61/45/10/348614510.db2.gz STAPKKNIQFVTQS-LBPRGKRZSA-N 1 0 206.289 1.469 10 0 BDAERO C[C@@]([NH3+])(C(N)=O)c1ccc(F)c(Cl)c1 ZINC000037460247 348615269 /nfs/dbraw/zinc/61/52/69/348615269.db2.gz GCSAGUZXKAARPX-VIFPVBQESA-N 1 0 216.643 1.138 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)C)C1 ZINC000052498440 323193544 /nfs/dbraw/zinc/19/35/44/323193544.db2.gz AYYHPNNZKSIJOU-NSHDSACASA-N 1 0 227.352 1.426 10 0 BDAERO COc1cc2c(cc1OC)[C@]1(C[C@@H]1[NH3+])CN2 ZINC000725247133 538011084 /nfs/dbraw/zinc/01/10/84/538011084.db2.gz INFBBXKMQRNMIE-RYUDHWBXSA-N 1 0 220.272 1.098 10 0 BDAERO Cc1nccc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383477381 348744512 /nfs/dbraw/zinc/74/45/12/348744512.db2.gz NLEKOURXIIGMFG-SSDOTTSWSA-N 1 0 216.235 1.179 10 0 BDAERO Cc1cncc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000184398781 179687342 /nfs/dbraw/zinc/68/73/42/179687342.db2.gz BVVBGWHSSCBDRB-JSGCOSHPSA-N 1 0 249.358 1.371 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)C(Cl)(Cl)Cl ZINC000669383837 538013660 /nfs/dbraw/zinc/01/36/60/538013660.db2.gz YWHPYIBDUWTWSW-YFKPBYRVSA-N 1 0 218.511 1.470 10 0 BDAERO 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CC1(C)NC(=O)N(C[C@@H]([NH3+])c2ccccc2)C1=O ZINC000019273193 187417387 /nfs/dbraw/zinc/41/73/87/187417387.db2.gz OEXDGOKYDCYLAF-SNVBAGLBSA-N 1 0 247.298 1.017 10 0 BDAERO CC(C)(CO)[NH2+]CC1(O)CCCCCC1 ZINC000037888243 187418504 /nfs/dbraw/zinc/41/85/04/187418504.db2.gz LSFPLPITAJFEDJ-UHFFFAOYSA-N 1 0 215.337 1.432 10 0 BDAERO CC(C)(CO)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000035102011 187421355 /nfs/dbraw/zinc/42/13/55/187421355.db2.gz ZFGWLAIUOCOIJQ-UHFFFAOYSA-N 1 0 240.278 1.125 10 0 BDAERO CCc1ccc(O[C@H]2COCC[C@@H]2[NH3+])cc1 ZINC000036305716 187422306 /nfs/dbraw/zinc/42/23/06/187422306.db2.gz VUCLWWVIZHVVIU-STQMWFEESA-N 1 0 221.300 1.744 10 0 BDAERO CC(C)(C)c1nnc(CN2CCC([NH3+])CC2)o1 ZINC000036754075 187423466 /nfs/dbraw/zinc/42/34/66/187423466.db2.gz FHCNDLOJCQPRBO-UHFFFAOYSA-N 1 0 238.335 1.290 10 0 BDAERO [NH3+][C@@H](C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000038085254 187426699 /nfs/dbraw/zinc/42/66/99/187426699.db2.gz YIZODZVOWFUQGX-JQWIXIFHSA-N 1 0 239.340 1.511 10 0 BDAERO C=CC(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616573541 349071757 /nfs/dbraw/zinc/07/17/57/349071757.db2.gz SOZSCWIQENBPGM-SECBINFHSA-N 1 0 204.273 1.509 10 0 BDAERO COC(=O)[C@]1(c2ccc(F)cc2F)CC[NH2+]C1 ZINC000616573621 349072280 /nfs/dbraw/zinc/07/22/80/349072280.db2.gz IFTMJOYISUBAKF-GFCCVEGCSA-N 1 0 241.237 1.369 10 0 BDAERO C=CC(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616573777 349072900 /nfs/dbraw/zinc/07/29/00/349072900.db2.gz SZPBSTSDIQIPGO-VIFPVBQESA-N 1 0 204.273 1.509 10 0 BDAERO O=C1CC2(CCC(F)(F)CC2)[NH2+]CCN1 ZINC000616573842 349073834 /nfs/dbraw/zinc/07/38/34/349073834.db2.gz LOSLMKLGTLLTGD-UHFFFAOYSA-N 1 0 218.247 1.044 10 0 BDAERO [NH3+]Cc1ccccc1COC1CCOCC1 ZINC000040992537 187428455 /nfs/dbraw/zinc/42/84/55/187428455.db2.gz GVAMYYBGSDGTDB-UHFFFAOYSA-N 1 0 221.300 1.841 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000308909669 349058917 /nfs/dbraw/zinc/05/89/17/349058917.db2.gz SNLBMVOAINEPFE-GZMMTYOYSA-N 1 0 229.682 1.950 10 0 BDAERO C=CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000616572615 349061982 /nfs/dbraw/zinc/06/19/82/349061982.db2.gz WYHSJZFHRQDMSK-OLZOCXBDSA-N 1 0 248.301 1.655 10 0 BDAERO C/C=C\C(=O)N[C@@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616572016 349065201 /nfs/dbraw/zinc/06/52/01/349065201.db2.gz SMUFTFNSTWQOIY-KBIXYVOKSA-N 1 0 224.348 1.703 10 0 BDAERO CO[C@]1(COc2cccc(F)c2)CCC[NH2+]C1 ZINC000616578378 349124514 /nfs/dbraw/zinc/12/45/14/349124514.db2.gz LVYOVDYGVUNHRO-CYBMUJFWSA-N 1 0 239.290 1.973 10 0 BDAERO C1CC1[C@@H]1CC[NH+]=C2N[C@@H]3CCCC[C@H]3N21 ZINC000300019326 538032148 /nfs/dbraw/zinc/03/21/48/538032148.db2.gz ZOIHCXKZEKQGAY-GRYCIOLGSA-N 1 0 219.332 1.741 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000252650256 349208543 /nfs/dbraw/zinc/20/85/43/349208543.db2.gz YLEUXQTVMJGNPW-IJLUTSLNSA-N 1 0 224.348 1.491 10 0 BDAERO C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000252182274 349196993 /nfs/dbraw/zinc/19/69/93/349196993.db2.gz QFIYMSZKYXBEPD-IJLUTSLNSA-N 1 0 224.348 1.681 10 0 BDAERO C[NH+](C)[C@H]1CCN(Cc2nnsc2Cl)C1 ZINC000062965460 349293344 /nfs/dbraw/zinc/29/33/44/349293344.db2.gz PZWUVAZVGKFJEW-ZETCQYMHSA-N 1 0 246.767 1.327 10 0 BDAERO CC(C)Cc1nc2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253304 538036147 /nfs/dbraw/zinc/03/61/47/538036147.db2.gz BUNZUNHECNWQIE-SECBINFHSA-N 1 0 207.321 1.955 10 0 BDAERO CN(CC(F)(F)F)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087903 349254544 /nfs/dbraw/zinc/25/45/44/349254544.db2.gz LYNLHYROWYALMO-YUMQZZPRSA-N 1 0 238.253 1.525 10 0 BDAERO CO[C@@H](C)c1nc2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253725 538039495 /nfs/dbraw/zinc/03/94/95/538039495.db2.gz WIHHKSNVZMTDLP-JGVFFNPUSA-N 1 0 209.293 1.464 10 0 BDAERO COc1ccc(CCN2CC[NH2+][C@@H](C)CC2)cc1 ZINC000049660993 187435604 /nfs/dbraw/zinc/43/56/04/187435604.db2.gz RGCAVWRTYFPLSD-ZDUSSCGKSA-N 1 0 248.370 1.922 10 0 BDAERO Cc1ccc(C(=O)CN2CCC([NH3+])CC2)cc1 ZINC000050158275 187435841 /nfs/dbraw/zinc/43/58/41/187435841.db2.gz QVCDYQHWCOSDIT-UHFFFAOYSA-N 1 0 232.327 1.601 10 0 BDAERO CC[NH+](CC)[C@@H](C)CNc1cccnn1 ZINC000309034418 349369577 /nfs/dbraw/zinc/36/95/77/349369577.db2.gz HGSKVEYRTLKDAP-JTQLQIEISA-N 1 0 208.309 1.619 10 0 BDAERO CC[NH2+][C@@H]1CCc2c(OC)cccc2[C@H]1O ZINC000216645373 350008150 /nfs/dbraw/zinc/00/81/50/350008150.db2.gz VQPMNXUGRBICHL-DGCLKSJQSA-N 1 0 221.300 1.653 10 0 BDAERO CCC[C@H](C)N(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070622108 350031999 /nfs/dbraw/zinc/03/19/99/350031999.db2.gz SZMHWBUJBDGEFO-CMPLNLGQSA-N 1 0 212.337 1.776 10 0 BDAERO C[C@H]1CSCCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619460 350030463 /nfs/dbraw/zinc/03/04/63/350030463.db2.gz PRHCVVJIYVXFND-ONGXEEELSA-N 1 0 228.361 1.092 10 0 BDAERO CC[C@](C)(C[NH3+])NC(=O)OC(C)(C)C ZINC000070626902 350037869 /nfs/dbraw/zinc/03/78/69/350037869.db2.gz YEPGPTKYNNBMPK-SNVBAGLBSA-N 1 0 202.298 1.639 10 0 BDAERO C[C@@H]1CC[N@@H+](C2CCC(=O)CC2)C[C@H]1O ZINC000299915005 350041694 /nfs/dbraw/zinc/04/16/94/350041694.db2.gz QVLJDKGYFDVWHN-BXKDBHETSA-N 1 0 211.305 1.201 10 0 BDAERO Cc1nc(C[C@H]2CSC[C@H]2[NH3+])cs1 ZINC000076644746 179983219 /nfs/dbraw/zinc/98/32/19/179983219.db2.gz GOIZOOZAVXJQRM-IONNQARKSA-N 1 0 214.359 1.684 10 0 BDAERO CO[C@@H]1CCC[N@H+](C[C@H]2CCCC2=O)C1 ZINC000299921383 350062873 /nfs/dbraw/zinc/06/28/73/350062873.db2.gz ZNFHBFKKFWUSAY-GHMZBOCLSA-N 1 0 211.305 1.466 10 0 BDAERO CCNC(=O)NC[C@@]1([NH3+])C[C@H](C)C[C@H](C)C1 ZINC000725254834 538048831 /nfs/dbraw/zinc/04/88/31/538048831.db2.gz GFDPZJSLAXRNJZ-PEGIJTEDSA-N 1 0 227.352 1.459 10 0 BDAERO CNc1cccc([C@H]2CC[N@H+](CCO)C2)c1 ZINC000616613851 350068029 /nfs/dbraw/zinc/06/80/29/350068029.db2.gz SMQMBKITSOWYOE-LBPRGKRZSA-N 1 0 220.316 1.510 10 0 BDAERO [NH3+][C@@H]1CCCN([C@@H]2CCCCCC2=O)C1 ZINC000219069697 350111808 /nfs/dbraw/zinc/11/18/08/350111808.db2.gz QRMRGCBVQQZYCM-GHMZBOCLSA-N 1 0 210.321 1.311 10 0 BDAERO CC(C)(C)NC(=O)NC[C@H]([NH3+])C1CCCC1 ZINC000725255348 538050440 /nfs/dbraw/zinc/05/04/40/538050440.db2.gz ZJXTUOYXVIQZQN-JTQLQIEISA-N 1 0 227.352 1.602 10 0 BDAERO Cc1nc2c(cnn2-c2ccccc2)c(NN)[nH+]1 ZINC000003069845 180020012 /nfs/dbraw/zinc/02/00/12/180020012.db2.gz DBJMQSKUBVTJRP-UHFFFAOYSA-N 1 0 240.270 1.410 10 0 BDAERO CCCCCS(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000184407735 535104456 /nfs/dbraw/zinc/10/44/56/535104456.db2.gz WGCGADGCQUKDAS-LLVKDONJSA-N 1 0 248.392 1.142 10 0 BDAERO CN(CC(C)(C)C[NH3+])C(=O)OC(C)(C)C ZINC000219565119 350131970 /nfs/dbraw/zinc/13/19/70/350131970.db2.gz WQNMLZIEJQYZIY-UHFFFAOYSA-N 1 0 216.325 1.838 10 0 BDAERO Cc1nc2cc(Cl)ccn2c1CC[NH3+] ZINC000074376215 180080473 /nfs/dbraw/zinc/08/04/73/180080473.db2.gz DXQWZQPFRYKHQU-UHFFFAOYSA-N 1 0 209.680 1.797 10 0 BDAERO Cc1[nH+]c2cc(N)ccc2n1CCn1cccn1 ZINC000052855525 180081729 /nfs/dbraw/zinc/08/17/29/180081729.db2.gz JKOYJOINKOPXCQ-UHFFFAOYSA-N 1 0 241.298 1.824 10 0 BDAERO CCN(c1cccc(F)c1C[NH3+])S(C)(=O)=O ZINC000725256184 538055452 /nfs/dbraw/zinc/05/54/52/538055452.db2.gz WBBDWGKESPOIGW-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO Cc1cccc2c1NC(=O)OC21C[NH2+]C1 ZINC000725255588 538053314 /nfs/dbraw/zinc/05/33/14/538053314.db2.gz FJIJTORRYUIMRA-UHFFFAOYSA-N 1 0 204.229 1.356 10 0 BDAERO C(SC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000062056256 187439916 /nfs/dbraw/zinc/43/99/16/187439916.db2.gz NQOPDCVHYMYIJZ-VIFPVBQESA-N 1 0 201.335 1.508 10 0 BDAERO Cc1ncc(CC2(C[NH3+])CCOCC2)s1 ZINC000062337796 180137874 /nfs/dbraw/zinc/13/78/74/180137874.db2.gz HFTGBWHFFGVBLE-UHFFFAOYSA-N 1 0 226.345 1.750 10 0 BDAERO Cc1csc2nc(C)c(C[NH2+][C@H](C)CO)n12 ZINC000037258292 180116795 /nfs/dbraw/zinc/11/67/95/180116795.db2.gz SKGRTXFPGMHLPJ-SSDOTTSWSA-N 1 0 239.344 1.483 10 0 BDAERO Cc1ncc(C[NH+]2CCCCC2)c(N)n1 ZINC000003218970 180144381 /nfs/dbraw/zinc/14/43/81/180144381.db2.gz FBDLQJIDOVIKDD-UHFFFAOYSA-N 1 0 206.293 1.353 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2O)s1 ZINC000040998113 180156314 /nfs/dbraw/zinc/15/63/14/180156314.db2.gz ZPKFDDOKUSXGOU-ZJUUUORDSA-N 1 0 212.318 1.455 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)s1 ZINC000282365503 180158591 /nfs/dbraw/zinc/15/85/91/180158591.db2.gz NNCOBXPKERJLMP-XCBNKYQSSA-N 1 0 239.344 1.208 10 0 BDAERO OCc1cccnc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941401 187441117 /nfs/dbraw/zinc/44/11/17/187441117.db2.gz NTHXHHHROQMCHQ-CYBMUJFWSA-N 1 0 247.342 1.248 10 0 BDAERO CC[C@H](COC)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000153817733 191073141 /nfs/dbraw/zinc/07/31/41/191073141.db2.gz YYSYODUUMJMKFU-UTUOFQBUSA-N 1 0 215.337 1.552 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)n1 ZINC000054790655 180192285 /nfs/dbraw/zinc/19/22/85/180192285.db2.gz LXWCQVSLUUMYMR-ZYHUDNBSSA-N 1 0 221.304 1.178 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)CS1 ZINC000392934301 350207062 /nfs/dbraw/zinc/20/70/62/350207062.db2.gz LRWRKEKEXALQKY-IMSYWVGJSA-N 1 0 228.361 1.137 10 0 BDAERO Cc1ncccc1-c1nnc(CCC[NH3+])o1 ZINC000083349375 180208813 /nfs/dbraw/zinc/20/88/13/180208813.db2.gz XFAOKBMXQCEBCF-UHFFFAOYSA-N 1 0 218.260 1.331 10 0 BDAERO Cc1ncc([C@H]2CSCC[NH2+]2)c(C)n1 ZINC000082374831 180176626 /nfs/dbraw/zinc/17/66/26/180176626.db2.gz CZKUMYCXLMJTFO-SNVBAGLBSA-N 1 0 209.318 1.471 10 0 BDAERO Cc1nccc(C[NH2+]C[C@@H]2CCCOC2)n1 ZINC000054790787 180188701 /nfs/dbraw/zinc/18/87/01/180188701.db2.gz DNIBOHJRMBCUNL-NSHDSACASA-N 1 0 221.304 1.301 10 0 BDAERO Cc1ccc(Cc2cc(C[NH3+])ncn2)cc1 ZINC000074141481 350238342 /nfs/dbraw/zinc/23/83/42/350238342.db2.gz NWUMWKHCQRAQNW-UHFFFAOYSA-N 1 0 213.284 1.835 10 0 BDAERO Cc1nccnc1N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095070818 180274837 /nfs/dbraw/zinc/27/48/37/180274837.db2.gz BMABTWAYOAURIT-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO Cc1nccn1[C@@H](C[NH3+])c1ccccc1F ZINC000043046113 180270926 /nfs/dbraw/zinc/27/09/26/180270926.db2.gz LDEMYHSPVDZGLB-LBPRGKRZSA-N 1 0 219.263 1.879 10 0 BDAERO Cc1nccn1[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043341297 180271409 /nfs/dbraw/zinc/27/14/09/180271409.db2.gz ZSUKPMAXDXATKC-CABZTGNLSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1ncn([C@@H](c2cnn(C)c2)[C@H](C)[NH3+])c1C ZINC000051925763 180290093 /nfs/dbraw/zinc/29/00/93/180290093.db2.gz LVJAJKGQJFBQTJ-QPUJVOFHSA-N 1 0 233.319 1.170 10 0 BDAERO Cn1ccnc1C[NH2+]CC[C@@H]1CCCO1 ZINC000038097235 350304803 /nfs/dbraw/zinc/30/48/03/350304803.db2.gz ALBFVEHMCQMTAA-JTQLQIEISA-N 1 0 209.293 1.079 10 0 BDAERO COC1(OC)CC[C@H](CCO)C[C@H]1CC[NH3+] ZINC000725261888 538088032 /nfs/dbraw/zinc/08/80/32/538088032.db2.gz MCDQJVZYFVJYBT-GHMZBOCLSA-N 1 0 231.336 1.123 10 0 BDAERO Cc1nccnc1SC[C@H]1CCC[NH2+]C1 ZINC000095068817 180280782 /nfs/dbraw/zinc/28/07/82/180280782.db2.gz SHSZUBVJJMKBPY-JTQLQIEISA-N 1 0 223.345 1.877 10 0 BDAERO CC[C@@H]1CN(CC(F)F)[C@@H](C)CC[NH2+]1 ZINC000224392470 350320432 /nfs/dbraw/zinc/32/04/32/350320432.db2.gz MSNWYIBCCSKTGW-DTWKUNHWSA-N 1 0 206.280 1.714 10 0 BDAERO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282110850 180283632 /nfs/dbraw/zinc/28/36/32/180283632.db2.gz ADSMGNIBTQJJOB-DVVUODLYSA-N 1 0 248.330 1.103 10 0 BDAERO Cc1ncsc1CCOCCC[NH3+] ZINC000019437944 180311723 /nfs/dbraw/zinc/31/17/23/180311723.db2.gz OTTNQKTUWXVXEQ-UHFFFAOYSA-N 1 0 200.307 1.359 10 0 BDAERO COCC[NH2+]Cc1ccc2c(c1C)OCCO2 ZINC000725264259 538090501 /nfs/dbraw/zinc/09/05/01/538090501.db2.gz RXKQAJKCHSCPLA-UHFFFAOYSA-N 1 0 237.299 1.502 10 0 BDAERO C([C@@H]1CCSC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000300232090 191096758 /nfs/dbraw/zinc/09/67/58/191096758.db2.gz FYVMSBOAAUOJER-RYUDHWBXSA-N 1 0 226.389 1.520 10 0 BDAERO Cc1ncsc1-c1nnc(CCC[NH3+])o1 ZINC000050283596 180302217 /nfs/dbraw/zinc/30/22/17/180302217.db2.gz AJGQQGLGWWJFQM-UHFFFAOYSA-N 1 0 224.289 1.393 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+]C[C@H]1COCCO1 ZINC000038061136 180326887 /nfs/dbraw/zinc/32/68/87/180326887.db2.gz UKQJCJLHAIJVRC-SCZZXKLOSA-N 1 0 242.344 1.518 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2ccncn2)CC1 ZINC000616592098 350438604 /nfs/dbraw/zinc/43/86/04/350438604.db2.gz BUCWTESHGBRTLS-LBPRGKRZSA-N 1 0 221.304 1.648 10 0 BDAERO Cc1nn(C)c(N(C)C(C)C)c1C[NH2+]C1CC1 ZINC000034823796 180350536 /nfs/dbraw/zinc/35/05/36/180350536.db2.gz WAHZSYHGKJENBN-UHFFFAOYSA-N 1 0 236.363 1.825 10 0 BDAERO Cc1nn(C)c(N(C)CC2CC2)c1C[C@@H](C)[NH3+] ZINC000104254526 180351211 /nfs/dbraw/zinc/35/12/11/180351211.db2.gz FBYKPGCKKRSSHW-SECBINFHSA-N 1 0 236.363 1.464 10 0 BDAERO Cc1nn(C)c(N2C[C@@H](C)C[C@H](C)C2)c1C[NH3+] ZINC000020469703 180356666 /nfs/dbraw/zinc/35/66/66/180356666.db2.gz QRUQOQZQYHUGCT-UWVGGRQHSA-N 1 0 236.363 1.670 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000226274076 350412083 /nfs/dbraw/zinc/41/20/83/350412083.db2.gz VAMPXXXKZWZLQZ-OPRDCNLKSA-N 1 0 233.402 1.338 10 0 BDAERO Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000125962969 180376177 /nfs/dbraw/zinc/37/61/77/180376177.db2.gz QGWKVZNPEBQUFF-PWSUYJOCSA-N 1 0 223.320 1.386 10 0 BDAERO C[NH2+]Cc1nc(-c2cccn2CCF)no1 ZINC000409423120 350474793 /nfs/dbraw/zinc/47/47/93/350474793.db2.gz OXIOXDBIRRVPMX-UHFFFAOYSA-N 1 0 224.239 1.227 10 0 BDAERO Fc1ccc(-c2cnnn2C2CC[NH2+]CC2)cn1 ZINC000725265965 538093794 /nfs/dbraw/zinc/09/37/94/538093794.db2.gz BHQQHWWUPOBXMR-UHFFFAOYSA-N 1 0 247.277 1.404 10 0 BDAERO Cc1nn(Cc2cc(C[NH3+])co2)c(C)c1C ZINC000052591490 180391485 /nfs/dbraw/zinc/39/14/85/180391485.db2.gz QFEBBAGKPYDTNL-UHFFFAOYSA-N 1 0 219.288 1.908 10 0 BDAERO Cc1nn([C@@H]2CCCC[C@@H]2O)c(C)c1C[NH3+] ZINC000054599969 180392130 /nfs/dbraw/zinc/39/21/30/180392130.db2.gz JRECXXOAARRFHY-NEPJUHHUSA-N 1 0 223.320 1.435 10 0 BDAERO Cc1nn([C@@H]2CCC[C@@H]2O)c(C)c1C[NH3+] ZINC000054599487 180392150 /nfs/dbraw/zinc/39/21/50/180392150.db2.gz QNYOATRKLLWHJO-MNOVXSKESA-N 1 0 209.293 1.045 10 0 BDAERO Cc1nnc(-n2nc(C)c([C@H](C)[NH3+])c2C)s1 ZINC000072415777 180396087 /nfs/dbraw/zinc/39/60/87/180396087.db2.gz RFBKDEHJAJWHQR-YFKPBYRVSA-N 1 0 237.332 1.669 10 0 BDAERO CCn1cc(C[N@@H+]2CC[C@@H](CCO)C2)cn1 ZINC000163081024 350501894 /nfs/dbraw/zinc/50/18/94/350501894.db2.gz WDRRXONGRLUYNL-NSHDSACASA-N 1 0 223.320 1.107 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000163083404 350503112 /nfs/dbraw/zinc/50/31/12/350503112.db2.gz CBEBFTWBIITWJY-LLVKDONJSA-N 1 0 221.300 1.597 10 0 BDAERO C[C@@H](C[NH3+])[S@](=O)c1ccc(F)c(Cl)c1 ZINC000227965159 350521135 /nfs/dbraw/zinc/52/11/35/350521135.db2.gz CJVXHHMRZFNHTP-MDAAJZPYSA-N 1 0 235.711 1.934 10 0 BDAERO CC1CCC(C[NH2+]CC(=O)N(C)C)CC1 ZINC000063145461 350573963 /nfs/dbraw/zinc/57/39/63/350573963.db2.gz FFYHBWHOYXMIQU-UHFFFAOYSA-N 1 0 212.337 1.491 10 0 BDAERO C[C@H]([NH3+])CCNc1nc2ccccc2[nH]1 ZINC000063171564 350574406 /nfs/dbraw/zinc/57/44/06/350574406.db2.gz OLLSBEZDAABMFQ-QMMMGPOBSA-N 1 0 204.277 1.712 10 0 BDAERO C[C@]1(C[NH2+]CC2CC(O)C2)CCCS1 ZINC000393065731 350544489 /nfs/dbraw/zinc/54/44/89/350544489.db2.gz XGWKUYLHLBJSDJ-VQXHTEKXSA-N 1 0 215.362 1.633 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000252649655 538096308 /nfs/dbraw/zinc/09/63/08/538096308.db2.gz XJKDCANLBBWNOS-XQQFMLRXSA-N 1 0 228.380 1.731 10 0 BDAERO CC[N@@H+]1CCOC[C@H](c2ccccc2C(N)=O)C1 ZINC000616593445 350582552 /nfs/dbraw/zinc/58/25/52/350582552.db2.gz KRDOMVDHGOSVQA-LLVKDONJSA-N 1 0 248.326 1.221 10 0 BDAERO CN1CCC[C@H]([NH3+])[C@@H]1Cc1ccc(F)cc1 ZINC000616593481 350583503 /nfs/dbraw/zinc/58/35/03/350583503.db2.gz WWMVFGNFNHAIGM-STQMWFEESA-N 1 0 222.307 1.790 10 0 BDAERO [NH3+]CCN1CCO[C@H](c2ccc(F)cc2)CC1 ZINC000616594010 350586100 /nfs/dbraw/zinc/58/61/00/350586100.db2.gz NEWMMXFPQLGOKB-ZDUSSCGKSA-N 1 0 238.306 1.548 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cn[nH]n2)CC1 ZINC000616594844 350596889 /nfs/dbraw/zinc/59/68/89/350596889.db2.gz IJNCTNKOAXVUKE-SNVBAGLBSA-N 1 0 224.308 1.367 10 0 BDAERO OCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)CC1 ZINC000616594990 350597706 /nfs/dbraw/zinc/59/77/06/350597706.db2.gz ULSRKVWOBGBURO-ZDUSSCGKSA-N 1 0 239.290 1.581 10 0 BDAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cnno1 ZINC000616596874 350638547 /nfs/dbraw/zinc/63/85/47/350638547.db2.gz JHPDYKZOAWYIFT-VIFPVBQESA-N 1 0 225.292 1.632 10 0 BDAERO Nc1ccc([C@H]2C[N@H+](CCO)CCCO2)cc1 ZINC000616597240 350649641 /nfs/dbraw/zinc/64/96/41/350649641.db2.gz BYRWXJKYRWRWQG-CYBMUJFWSA-N 1 0 236.315 1.025 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000251632520 535149222 /nfs/dbraw/zinc/14/92/22/535149222.db2.gz FMGAMQFWUVPFLK-HZSPNIEDSA-N 1 0 240.391 1.562 10 0 BDAERO CO[C@@H]1CC[C@H](NC2=[NH+]CCCS2)C1 ZINC000234943989 350707103 /nfs/dbraw/zinc/70/71/03/350707103.db2.gz DLZDYNKVFLUDRN-DTWKUNHWSA-N 1 0 214.334 1.636 10 0 BDAERO CC(C)C(C[NH2+][C@H]1CCOC[C@@H]1O)C(C)C ZINC000628466688 358457652 /nfs/dbraw/zinc/45/76/52/358457652.db2.gz GPQYZMZHXQPEIJ-STQMWFEESA-N 1 0 229.364 1.654 10 0 BDAERO Nc1ccc([C@H]2COCCC[N@@H+]2CCO)cc1 ZINC000616598995 350701243 /nfs/dbraw/zinc/70/12/43/350701243.db2.gz GNFFHNFWRBRJSG-CYBMUJFWSA-N 1 0 236.315 1.025 10 0 BDAERO CC(C)C[C@H](C)C[NH2+][C@H]1CCOC[C@H]1O ZINC000628466435 358457871 /nfs/dbraw/zinc/45/78/71/358457871.db2.gz AOSZTECHVAOXMA-SDDRHHMPSA-N 1 0 215.337 1.408 10 0 BDAERO CC[N@@H+]1CCOCC[C@@H]1c1cccc(N)n1 ZINC000616599643 350754766 /nfs/dbraw/zinc/75/47/66/350754766.db2.gz TXMSYLNENTYOSZ-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO CC1(C)C[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227428131 187468307 /nfs/dbraw/zinc/46/83/07/187468307.db2.gz LBGRVSHYVNSZQR-OUAUKWLOSA-N 1 0 224.348 1.524 10 0 BDAERO CC[C@@H]([NH2+]C[C@H](O)COC)C(C)(C)C ZINC000308529916 350777562 /nfs/dbraw/zinc/77/75/62/350777562.db2.gz RNUJBXLDRJDLHN-VHSXEESVSA-N 1 0 203.326 1.408 10 0 BDAERO CC(C)[N@@H+]1CCN[C@@H](c2ccccc2CO)C1 ZINC000616600647 350778487 /nfs/dbraw/zinc/77/84/87/350778487.db2.gz LBJVDBFDLAJUNI-CQSZACIVSA-N 1 0 234.343 1.534 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2ccncc2)CC1 ZINC000616601596 350782314 /nfs/dbraw/zinc/78/23/14/350782314.db2.gz QGQMRJVLRFMUAR-GFCCVEGCSA-N 1 0 219.332 1.610 10 0 BDAERO C[N@@H+]1CCCC[C@H](c2ccc(C(N)=O)cc2)C1 ZINC000616603487 350789927 /nfs/dbraw/zinc/78/99/27/350789927.db2.gz VEYCKLFXAAKNAG-ZDUSSCGKSA-N 1 0 232.327 1.985 10 0 BDAERO Nc1ccccc1[C@@H]1CCCN1CC[NH3+] ZINC000616608193 350800071 /nfs/dbraw/zinc/80/00/71/350800071.db2.gz NLTBFQVOPSCRBL-LBPRGKRZSA-N 1 0 205.305 1.364 10 0 BDAERO CC[N@@H+]1CCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616607920 350802048 /nfs/dbraw/zinc/80/20/48/350802048.db2.gz XNDCIXDOBWFFDH-LBPRGKRZSA-N 1 0 218.300 1.942 10 0 BDAERO Cc1nn(C)cc1[C@@H]([NH3+])[C@H]1CCCS1 ZINC000306679550 350834284 /nfs/dbraw/zinc/83/42/84/350834284.db2.gz ILPXFVTTXNDLNL-NXEZZACHSA-N 1 0 211.334 1.624 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000616614492 350834349 /nfs/dbraw/zinc/83/43/49/350834349.db2.gz QZYFAKIOSNSMQB-GFCCVEGCSA-N 1 0 206.289 1.601 10 0 BDAERO CNc1cccc([C@@H]2CC[N@H+](CCO)C2)c1 ZINC000616614624 350836312 /nfs/dbraw/zinc/83/63/12/350836312.db2.gz SMQMBKITSOWYOE-GFCCVEGCSA-N 1 0 220.316 1.510 10 0 BDAERO O=C(c1ccsn1)[C@H]1CC12CC[NH2+]CC2 ZINC000306682710 350839342 /nfs/dbraw/zinc/83/93/42/350839342.db2.gz SIOIPSXQTAUDFP-MRVPVSSYSA-N 1 0 222.313 1.716 10 0 BDAERO O=C(c1ccsn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000306682711 350839491 /nfs/dbraw/zinc/83/94/91/350839491.db2.gz SIOIPSXQTAUDFP-QMMMGPOBSA-N 1 0 222.313 1.716 10 0 BDAERO [NH3+]CCN1CCCC[C@H]1c1ccc(CCO)cc1 ZINC000616616764 350856094 /nfs/dbraw/zinc/85/60/94/350856094.db2.gz XHNRVTIVFVLGSI-HNNXBMFYSA-N 1 0 248.370 1.707 10 0 BDAERO CC[N@@H+]1CCC[C@@H](c2cccc(N)n2)C1 ZINC000616617355 350865051 /nfs/dbraw/zinc/86/50/51/350865051.db2.gz SRKDKWWIPKZPCJ-SNVBAGLBSA-N 1 0 205.305 1.863 10 0 BDAERO CCn1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cn1 ZINC000226029898 350900991 /nfs/dbraw/zinc/90/09/91/350900991.db2.gz ZVXQVUUIGPAXGO-NWDGAFQWSA-N 1 0 223.320 1.296 10 0 BDAERO C[C@@H]1C[C@H](N(C)[C@H]2CC[NH2+]C2)CS1 ZINC000252218124 350910259 /nfs/dbraw/zinc/91/02/59/350910259.db2.gz ZRMZFMDYEUUMSO-UTLUCORTSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@H](CC(N)=S)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000252649836 350913843 /nfs/dbraw/zinc/91/38/43/350913843.db2.gz XRZAHOODNJJLDZ-IWSPIJDZSA-N 1 0 200.351 1.639 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@H]2CCC[C@H]2O)CCS1 ZINC000252726053 350915132 /nfs/dbraw/zinc/91/51/32/350915132.db2.gz MCFZHBNIUKRERL-OUAUKWLOSA-N 1 0 215.362 1.727 10 0 BDAERO CC(=O)C[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252873888 350916506 /nfs/dbraw/zinc/91/65/06/350916506.db2.gz PQNHNRAENQMWGB-VGDYDELISA-N 1 0 211.305 1.057 10 0 BDAERO CCN1CCC[C@@H]([NH3+])[C@H]1c1cscn1 ZINC000252915429 350917471 /nfs/dbraw/zinc/91/74/71/350917471.db2.gz SXXVXLJAWRQTET-SCZZXKLOSA-N 1 0 211.334 1.627 10 0 BDAERO COc1nc([C@]2([NH3+])CCCOC2)cs1 ZINC000306712101 350872583 /nfs/dbraw/zinc/87/25/83/350872583.db2.gz TUEKRNMLDSZEAY-VIFPVBQESA-N 1 0 214.290 1.116 10 0 BDAERO CC[S@](=O)[C@@H]1C[C@@H](C(C)C)CC[C@H]1[NH3+] ZINC000250233661 350878294 /nfs/dbraw/zinc/87/82/94/350878294.db2.gz GQUMWRWBDDYYEN-OXIWPEFWSA-N 1 0 217.378 1.907 10 0 BDAERO COc1cc(NCC[NH3+])c([N+](=O)[O-])cc1C ZINC000382563683 350878561 /nfs/dbraw/zinc/87/85/61/350878561.db2.gz MRLRYEQXLYUXLM-UHFFFAOYSA-N 1 0 225.248 1.282 10 0 BDAERO C[C@@H](OCC[N@H+](C)Cc1ccccc1)C(N)=[NH2+] ZINC000306758920 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200.326 1.221 10 0 BDAERO CCN1CCO[C@@H](C2=NC(=O)CS2)C1 ZINC000307257026 351793085 /nfs/dbraw/zinc/79/30/85/351793085.db2.gz DXGZTJPHLXPNRT-SSDOTTSWSA-N 1 0 214.290 1.242 10 0 BDAERO C[C@H]1OCCN[C@H]1C(=O)c1cccs1 ZINC000307249074 351754781 /nfs/dbraw/zinc/75/47/81/351754781.db2.gz NXWYIJZYVJYBSC-VXNVDRBHSA-N 1 0 211.286 1.308 10 0 BDAERO C[NH+](C)C1CN(c2cc(Cl)nnc2Cl)C1 ZINC000307252091 351773226 /nfs/dbraw/zinc/77/32/26/351773226.db2.gz RLBFRRTXPCQNNL-UHFFFAOYSA-N 1 0 247.129 1.534 10 0 BDAERO C[C@H]([NH3+])[C@@](C)(O)C(F)(F)Br ZINC000307273668 351827034 /nfs/dbraw/zinc/82/70/34/351827034.db2.gz JOZQGMMTZXLSBL-IUYQGCFVSA-N 1 0 218.041 1.072 10 0 BDAERO C[C@@H]1C[NH2+]C[C@](F)(c2cnsc2)C1 ZINC000404677012 351809581 /nfs/dbraw/zinc/80/95/81/351809581.db2.gz DQGNNQMUXIPZSJ-CBAPKCEASA-N 1 0 200.282 1.937 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2CCS[C@H]2C)S1 ZINC000307282939 351844218 /nfs/dbraw/zinc/84/42/18/351844218.db2.gz HUJMOYHUQTXZJW-GJMOJQLCSA-N 1 0 216.375 1.961 10 0 BDAERO 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C[C@@H]1CS[C@H]2[C@@H](C)O[C@H](C)C[C@@H]2[NH2+]1 ZINC000252163186 363187133 /nfs/dbraw/zinc/18/71/33/363187133.db2.gz QCGQNGACKBUUIZ-VFCFLDTKSA-N 1 0 201.335 1.646 10 0 BDAERO CCOC(=O)[C@@H](CCCC[NH3+])C1CCOCC1 ZINC000725271508 538103400 /nfs/dbraw/zinc/10/34/00/538103400.db2.gz OMAHVVKMHUVDFD-LBPRGKRZSA-N 1 0 243.347 1.721 10 0 BDAERO O=C(NCC[C@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000638601249 352436294 /nfs/dbraw/zinc/43/62/94/352436294.db2.gz ONIUOSVTBZOGHD-STQMWFEESA-N 1 0 236.359 1.849 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000638649595 352492226 /nfs/dbraw/zinc/49/22/26/352492226.db2.gz YLQCCBXNTWHJRB-VGRIYTJTSA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638628658 352468014 /nfs/dbraw/zinc/46/80/14/352468014.db2.gz BUIPKZRTTHDSSS-OPRDCNLKSA-N 1 0 246.301 1.760 10 0 BDAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638628657 352468240 /nfs/dbraw/zinc/46/82/40/352468240.db2.gz BUIPKZRTTHDSSS-KXUCPTDWSA-N 1 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VDNLQUAARMRDJO-SFYZADRCSA-N 1 0 212.318 1.994 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CCSCC[C@H]1C ZINC000307442471 352598056 /nfs/dbraw/zinc/59/80/56/352598056.db2.gz AGPVOFCLNNAPQB-SFYZADRCSA-N 1 0 218.391 1.488 10 0 BDAERO CC[N@H+](Cc1ccccc1)[C@@H]1CCOC[C@@H]1O ZINC000725272652 538104434 /nfs/dbraw/zinc/10/44/34/538104434.db2.gz JAKGMLDXMIZYLG-KGLIPLIRSA-N 1 0 235.327 1.658 10 0 BDAERO [NH3+]C1(CC(F)(F)C(F)F)CCOCC1 ZINC000307460631 352609665 /nfs/dbraw/zinc/60/96/65/352609665.db2.gz FSHGQVXNAUFKHO-UHFFFAOYSA-N 1 0 215.190 1.785 10 0 BDAERO CC1(C)C[NH2+]CCN1C(=O)NCc1ccccc1 ZINC000232306822 352612012 /nfs/dbraw/zinc/61/20/12/352612012.db2.gz LZGZLTJLPIGDGB-UHFFFAOYSA-N 1 0 247.342 1.580 10 0 BDAERO Cc1ncccc1Cn1cnc(C=O)c1 ZINC000307462450 352612095 /nfs/dbraw/zinc/61/20/95/352612095.db2.gz IDHOZOKLTCOWCF-UHFFFAOYSA-N 1 0 201.229 1.447 10 0 BDAERO CCN(CC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000232308387 352614402 /nfs/dbraw/zinc/61/44/02/352614402.db2.gz PAFWOJJDXTWJMY-UHFFFAOYSA-N 1 0 234.303 1.154 10 0 BDAERO C[NH2+]CCC1=NCCN1C(=O)[C@@H](C)C(C)(C)C ZINC000725272585 538104564 /nfs/dbraw/zinc/10/45/64/538104564.db2.gz QJLXOGWTYUWCLY-SNVBAGLBSA-N 1 0 239.363 1.519 10 0 BDAERO O=[S@](c1cccs1)[C@H]1CC[NH2+]C1 ZINC000307467689 352616750 /nfs/dbraw/zinc/61/67/50/352616750.db2.gz PXPRNLJTEZPGPF-MADCSZMMSA-N 1 0 201.316 1.218 10 0 BDAERO CN1c2ccccc2C[C@@H]([C@H]2CCC[NH2+]2)C1=O ZINC000498035915 352568456 /nfs/dbraw/zinc/56/84/56/352568456.db2.gz ZFWWNYPWGYHNBS-NWDGAFQWSA-N 1 0 230.311 1.574 10 0 BDAERO CN1c2ccccc2C[C@@H]([C@@H]2CCC[NH2+]2)C1=O ZINC000498035916 352568514 /nfs/dbraw/zinc/56/85/14/352568514.db2.gz ZFWWNYPWGYHNBS-RYUDHWBXSA-N 1 0 230.311 1.574 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]2CC[NH2+][C@@]2(C)C1 ZINC000498036357 352570068 /nfs/dbraw/zinc/57/00/68/352570068.db2.gz BTSYWUMATFSQOJ-SKDRFNHKSA-N 1 0 226.320 1.605 10 0 BDAERO C[NH2+]Cc1cc(-c2ncnn2C)cs1 ZINC000307406985 352581818 /nfs/dbraw/zinc/58/18/18/352581818.db2.gz GLYDQCBXDKOLKA-UHFFFAOYSA-N 1 0 208.290 1.263 10 0 BDAERO CC(=O)N1CCC2(CC1)[NH2+]C[C@H](C)S2 ZINC000300977202 352582238 /nfs/dbraw/zinc/58/22/38/352582238.db2.gz HTIQLGGOZKJQSS-QMMMGPOBSA-N 1 0 214.334 1.050 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)NC2(C(F)F)CC2)C1 ZINC000638725341 352582790 /nfs/dbraw/zinc/58/27/90/352582790.db2.gz DPTDAUMIWUQQGU-YUMQZZPRSA-N 1 0 232.274 1.418 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NC1(C(F)F)CC1 ZINC000638726555 352584614 /nfs/dbraw/zinc/58/46/14/352584614.db2.gz SJKZVLHZVPCUCQ-QMMMGPOBSA-N 1 0 232.274 1.290 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NC2(C(F)F)CC2)C1 ZINC000638726596 352584720 /nfs/dbraw/zinc/58/47/20/352584720.db2.gz UMZQOIVZPRWRRI-BQBZGAKWSA-N 1 0 218.247 1.028 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NC1(C(F)F)CC1 ZINC000638726554 352584722 /nfs/dbraw/zinc/58/47/22/352584722.db2.gz SJKZVLHZVPCUCQ-MRVPVSSYSA-N 1 0 232.274 1.290 10 0 BDAERO CCC1CCC(NC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000043801405 352639095 /nfs/dbraw/zinc/63/90/95/352639095.db2.gz KTELSEZWZFDRRE-HTAVTVPLSA-N 1 0 240.347 1.060 10 0 BDAERO [NH3+][C@H]1CC[C@@H](Cn2cc(Br)cn2)C1 ZINC000307535680 352641051 /nfs/dbraw/zinc/64/10/51/352641051.db2.gz OYGWKCMLOTUGKT-APPZFPTMSA-N 1 0 244.136 1.773 10 0 BDAERO CC(C)(C[NH3+])c1ncncc1Br ZINC000307553375 352647932 /nfs/dbraw/zinc/64/79/32/352647932.db2.gz RDMVKXGRAHPYIN-UHFFFAOYSA-N 1 0 230.109 1.475 10 0 BDAERO CC[C@@H](C)CNc1cc2n(n1)CCC[NH2+]C2 ZINC000725273866 538104758 /nfs/dbraw/zinc/10/47/58/538104758.db2.gz OHNBRCAQAFPNQI-SNVBAGLBSA-N 1 0 222.336 1.834 10 0 BDAERO CNC(=[NH2+])NC(C)(C)COCc1ccccc1 ZINC000307613702 352672064 /nfs/dbraw/zinc/67/20/64/352672064.db2.gz MCZQQYXPHQSJNX-UHFFFAOYSA-N 1 0 235.331 1.726 10 0 BDAERO CC[N@@H+]1CC[C@]2(C1)NC[C@@H](C)CS2 ZINC000307599702 352666380 /nfs/dbraw/zinc/66/63/80/352666380.db2.gz RJGPOSLIGCPNKZ-ZJUUUORDSA-N 1 0 200.351 1.381 10 0 BDAERO Cc1cnc(SC(C)(C)C[NH3+])[nH]c1=O ZINC000307609497 352667071 /nfs/dbraw/zinc/66/70/71/352667071.db2.gz HRSMTQUBUNDEHF-UHFFFAOYSA-N 1 0 213.306 1.320 10 0 BDAERO [NH3+]C1(c2csc(-c3cn[nH]c3)n2)CC1 ZINC000307613004 352669143 /nfs/dbraw/zinc/66/91/43/352669143.db2.gz JAJMPWYFEAVEGB-UHFFFAOYSA-N 1 0 206.274 1.481 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCCC2(CC2)CC1 ZINC000638756189 352690105 /nfs/dbraw/zinc/69/01/05/352690105.db2.gz KARZUJMUWBBWGR-LLVKDONJSA-N 1 0 224.348 1.907 10 0 BDAERO c1ccc2c(c1)C[C@@]1(CO2)[NH2+]CCS1 ZINC000307621137 352690737 /nfs/dbraw/zinc/69/07/37/352690737.db2.gz FXQDRVRHWNDYBH-LLVKDONJSA-N 1 0 207.298 1.654 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000638757912 352691603 /nfs/dbraw/zinc/69/16/03/352691603.db2.gz POAUYYSOXBKORX-SCVCMEIPSA-N 1 0 210.321 1.385 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2C1 ZINC000412030811 191240910 /nfs/dbraw/zinc/24/09/10/191240910.db2.gz AHPQRUJWIQZCBH-MGPQQGTHSA-N 1 0 239.359 1.506 10 0 BDAERO C[C@@H]1COCC[C@@]1(C[NH3+])NCc1ccccc1 ZINC000307615750 352674452 /nfs/dbraw/zinc/67/44/52/352674452.db2.gz QWLHZIJNGVUXMP-OCCSQVGLSA-N 1 0 234.343 1.530 10 0 BDAERO C[C@@H]1CSC[C@@H]1N(C)[C@@H]1CCC[NH2+]C1 ZINC000307616781 352674921 /nfs/dbraw/zinc/67/49/21/352674921.db2.gz QQPHETXBPAPVFX-MXWKQRLJSA-N 1 0 214.378 1.422 10 0 BDAERO C1CC1[C@H]1OCC[C@H]1NC1=[NH+]CCS1 ZINC000232454000 352680134 /nfs/dbraw/zinc/68/01/34/352680134.db2.gz WMYKPDSVTZAPMW-RKDXNWHRSA-N 1 0 212.318 1.246 10 0 BDAERO [NH3+][C@@H](c1ccns1)[C@H]1CSCCO1 ZINC000307664924 352748906 /nfs/dbraw/zinc/74/89/06/352748906.db2.gz LEYQILBXMFOUNH-HTRCEHHLSA-N 1 0 216.331 1.275 10 0 BDAERO CCS(=O)(=O)C/C=C1\CCC[C@H]([NH3+])C1 ZINC000393655348 352836280 /nfs/dbraw/zinc/83/62/80/352836280.db2.gz HGJYNCLCFVGOAC-ZKXNXJMVSA-N 1 0 217.334 1.249 10 0 BDAERO CO[C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000638807306 352981250 /nfs/dbraw/zinc/98/12/50/352981250.db2.gz JHFCMWKAHAZGRK-UTUOFQBUSA-N 1 0 240.347 1.060 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCCC23CC3)C1 ZINC000638834400 353020310 /nfs/dbraw/zinc/02/03/10/353020310.db2.gz PBKQEOSJEYVNHF-MXWKQRLJSA-N 1 0 222.332 1.563 10 0 BDAERO C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000306523550 353021882 /nfs/dbraw/zinc/02/18/82/353021882.db2.gz SZEMLHZCGFITLF-SECBINFHSA-N 1 0 216.325 1.899 10 0 BDAERO CS[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000306550623 353023981 /nfs/dbraw/zinc/02/39/81/353023981.db2.gz FNTUDUBSGIIYIM-HBNTYKKESA-N 1 0 215.362 1.727 10 0 BDAERO [NH3+][C@@H]1CCN(c2nc(Br)cs2)C1 ZINC000306369752 353007351 /nfs/dbraw/zinc/00/73/51/353007351.db2.gz CNFVYACYHVGKBD-RXMQYKEDSA-N 1 0 248.149 1.443 10 0 BDAERO Cc1cncc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638889594 353057890 /nfs/dbraw/zinc/05/78/90/353057890.db2.gz CFQWJJVFORGUIZ-CMPLNLGQSA-N 1 0 233.315 1.057 10 0 BDAERO Cc1ncccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638891664 353059427 /nfs/dbraw/zinc/05/94/27/353059427.db2.gz GXWMYEVIOQYBBY-MWLCHTKSSA-N 1 0 233.315 1.057 10 0 BDAERO Cc1ncccc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638891663 353059582 /nfs/dbraw/zinc/05/95/82/353059582.db2.gz GXWMYEVIOQYBBY-KOLCDFICSA-N 1 0 233.315 1.057 10 0 BDAERO CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638891871 353059602 /nfs/dbraw/zinc/05/96/02/353059602.db2.gz VGAYBBPJSUXVGO-ZJUUUORDSA-N 1 0 212.337 1.476 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@H]2C=CCC2)C[C@H]1C[NH3+] ZINC000638905287 353060613 /nfs/dbraw/zinc/06/06/13/353060613.db2.gz SPOHZNACZKWNCO-GRYCIOLGSA-N 1 0 222.332 1.396 10 0 BDAERO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1C[NH3+] ZINC000638900920 353062950 /nfs/dbraw/zinc/06/29/50/353062950.db2.gz IGHHMYSIKRATEP-ZUWCUPBKSA-N 1 0 248.370 1.642 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1C[NH3+] ZINC000638900919 353062992 /nfs/dbraw/zinc/06/29/92/353062992.db2.gz IGHHMYSIKRATEP-RKQHYHRCSA-N 1 0 248.370 1.642 10 0 BDAERO Cc1cscc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638911943 353077035 /nfs/dbraw/zinc/07/70/35/353077035.db2.gz IGWHYOXIUINCNX-WPRPVWTQSA-N 1 0 238.356 1.723 10 0 BDAERO CCc1nc(CC[NH2+][C@@H](C)C2CC2)no1 ZINC000336750563 353038444 /nfs/dbraw/zinc/03/84/44/353038444.db2.gz FAKAOMKDYDTATG-QMMMGPOBSA-N 1 0 209.293 1.563 10 0 BDAERO C[C@@H]1CC[NH2+][C@@]2(CCOC2(C)C)S1 ZINC000306921017 353044964 /nfs/dbraw/zinc/04/49/64/353044964.db2.gz OVUIMPICYXPJAY-SCZZXKLOSA-N 1 0 201.335 1.997 10 0 BDAERO CSC(C)(C)c1ncc2c(n1)C[NH2+]C2 ZINC000306945121 353046547 /nfs/dbraw/zinc/04/65/47/353046547.db2.gz ZOPPQGIBAKJXKN-UHFFFAOYSA-N 1 0 209.318 1.678 10 0 BDAERO Cc1cccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638884485 353051310 /nfs/dbraw/zinc/05/13/10/353051310.db2.gz IAOFXAZEYXVUPQ-WCQYABFASA-N 1 0 232.327 1.662 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)n1C ZINC000638885096 353052038 /nfs/dbraw/zinc/05/20/38/353052038.db2.gz BGZZKLHAUNBWMS-GXSJLCMTSA-N 1 0 235.331 1.000 10 0 BDAERO COc1cccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638885229 353052131 /nfs/dbraw/zinc/05/21/31/353052131.db2.gz LYSJNNLHWWGTAJ-CMPLNLGQSA-N 1 0 248.326 1.362 10 0 BDAERO C[C@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1C[NH3+] ZINC000638885910 353052698 /nfs/dbraw/zinc/05/26/98/353052698.db2.gz OVQSCIJXLJHKQC-GXSJLCMTSA-N 1 0 236.290 1.493 10 0 BDAERO C[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C[NH3+] ZINC000638885554 353052731 /nfs/dbraw/zinc/05/27/31/353052731.db2.gz OAQYOBULWONUMH-NXEZZACHSA-N 1 0 212.337 1.476 10 0 BDAERO COc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638886361 353053306 /nfs/dbraw/zinc/05/33/06/353053306.db2.gz QQZPFZHPZGMTHD-PWSUYJOCSA-N 1 0 248.326 1.362 10 0 BDAERO Cc1cccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000638886700 353053454 /nfs/dbraw/zinc/05/34/54/353053454.db2.gz RKGYXAFXBTUHKH-GXSJLCMTSA-N 1 0 233.315 1.057 10 0 BDAERO Cc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000638886702 353053532 /nfs/dbraw/zinc/05/35/32/353053532.db2.gz RKGYXAFXBTUHKH-MWLCHTKSSA-N 1 0 233.315 1.057 10 0 BDAERO COc1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638886720 353053598 /nfs/dbraw/zinc/05/35/98/353053598.db2.gz RRBUTHPJZFPHJG-GHMZBOCLSA-N 1 0 248.326 1.362 10 0 BDAERO Clc1cc(N2CC[N@@H+]3CC[C@H]2C3)cnn1 ZINC000307114521 353055425 /nfs/dbraw/zinc/05/54/25/353055425.db2.gz SKOFYCACBLHWER-QMMMGPOBSA-N 1 0 224.695 1.024 10 0 BDAERO Cc1ccc(O)c(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638895813 353056710 /nfs/dbraw/zinc/05/67/10/353056710.db2.gz VDUVAACAQMZOKG-MNOVXSKESA-N 1 0 248.326 1.367 10 0 BDAERO CC(C)Oc1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000536953169 323960701 /nfs/dbraw/zinc/96/07/01/323960701.db2.gz HWRYYFYWUHQVAZ-JTQLQIEISA-N 1 0 209.293 1.595 10 0 BDAERO Cc1nc(C2CSC2)sc1C[NH3+] ZINC000405171090 353137246 /nfs/dbraw/zinc/13/72/46/353137246.db2.gz NSCPTQVCGKVPIN-UHFFFAOYSA-N 1 0 200.332 1.741 10 0 BDAERO CC(C)[C@@](C)(O)[C@]1(C[NH3+])CCCOC1 ZINC000218715740 353141242 /nfs/dbraw/zinc/14/12/42/353141242.db2.gz MCAIYAAHONBSNK-MNOVXSKESA-N 1 0 201.310 1.149 10 0 BDAERO CC(C)[C@](C)(O)[C@]1(C[NH3+])CCCOC1 ZINC000218715817 353141256 /nfs/dbraw/zinc/14/12/56/353141256.db2.gz MCAIYAAHONBSNK-QWRGUYRKSA-N 1 0 201.310 1.149 10 0 BDAERO C[C@@H]1OCC[C@@]1(C[NH3+])[C@@H]1CCSC1 ZINC000405205971 353143377 /nfs/dbraw/zinc/14/33/77/353143377.db2.gz AFRCQNPIDXPQSR-AEJSXWLSSA-N 1 0 201.335 1.493 10 0 BDAERO CC(C)N(C)C(=O)CN1CCCC[C@@H]1CC[NH3+] ZINC000111380827 188060654 /nfs/dbraw/zinc/06/06/54/188060654.db2.gz RPUZZACYCIWUJL-GFCCVEGCSA-N 1 0 241.379 1.057 10 0 BDAERO CCN1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336754651 353145715 /nfs/dbraw/zinc/14/57/15/353145715.db2.gz FTRYHXVZJHYGRF-QWHCGFSZSA-N 1 0 226.364 1.487 10 0 BDAERO C[C@@H]1C[NH+]=C(S[C@@H]2CCSC2)N1 ZINC000405251722 353152122 /nfs/dbraw/zinc/15/21/22/353152122.db2.gz KCKTUNMHTYRUMH-RNFRBKRXSA-N 1 0 202.348 1.573 10 0 BDAERO CN(C)[C@H]1C[NH2+]C[C@H]1Cc1ccccc1 ZINC000142855557 353155899 /nfs/dbraw/zinc/15/58/99/353155899.db2.gz GWHHWCKWPIVWJM-OLZOCXBDSA-N 1 0 204.317 1.379 10 0 BDAERO COCc1cc(NCC2CC[NH2+]CC2)ncn1 ZINC000045954776 188085407 /nfs/dbraw/zinc/08/54/07/188085407.db2.gz WBHSOSMTJDHEIG-UHFFFAOYSA-N 1 0 236.319 1.035 10 0 BDAERO CCc1nc(CC[NH2+]C[C@@H]2C[C@H]2C)no1 ZINC000336760209 353171492 /nfs/dbraw/zinc/17/14/92/353171492.db2.gz LPKQWLPQEYDWGO-BDAKNGLRSA-N 1 0 209.293 1.420 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000285464947 188095516 /nfs/dbraw/zinc/09/55/16/188095516.db2.gz ALQFXQRWSFKZSJ-DTWKUNHWSA-N 1 0 209.293 1.465 10 0 BDAERO CC(C)CNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000011849263 188105505 /nfs/dbraw/zinc/10/55/05/188105505.db2.gz NXSHEUKMRPTCLI-UHFFFAOYSA-N 1 0 242.344 1.080 10 0 BDAERO CC[C@H](CC[NH3+])N1C(=O)CCCCC1=O ZINC000035676858 188104088 /nfs/dbraw/zinc/10/40/88/188104088.db2.gz ODJHPRTWHYPTEG-SECBINFHSA-N 1 0 212.293 1.043 10 0 BDAERO CC(C)(C)[C@H]([NH3+])Cn1c2ccccc2ncc1=O ZINC000019399321 188107210 /nfs/dbraw/zinc/10/72/10/188107210.db2.gz VNVAGQXCCXQCGB-GFCCVEGCSA-N 1 0 245.326 1.770 10 0 BDAERO COc1ccccc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019409619 188107682 /nfs/dbraw/zinc/10/76/82/188107682.db2.gz ITGFFCMHQXYHPW-NSHDSACASA-N 1 0 234.299 1.776 10 0 BDAERO CC(C)[C@H](C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000022220864 188109093 /nfs/dbraw/zinc/10/90/93/188109093.db2.gz DRAVBJYOTRLFPR-AXFHLTTASA-N 1 0 200.326 1.079 10 0 BDAERO CC(C)N(C)S(=O)(=O)c1ccccc1C[NH3+] ZINC000022167985 188109503 /nfs/dbraw/zinc/10/95/03/188109503.db2.gz WRNGJVDUNXRQBI-UHFFFAOYSA-N 1 0 242.344 1.174 10 0 BDAERO COc1ccc([C@H](O)[C@@H]2CCC[NH2+]C2)cc1F ZINC000035424730 188111578 /nfs/dbraw/zinc/11/15/78/188111578.db2.gz FTMXPYLKHLZQEQ-MFKMUULPSA-N 1 0 239.290 1.867 10 0 BDAERO Cc1cccc2[nH]c([C@@H]3C[NH2+]CCO3)nc21 ZINC000043705141 188123068 /nfs/dbraw/zinc/12/30/68/188123068.db2.gz DNTSDTSSSNWKSD-JTQLQIEISA-N 1 0 217.272 1.532 10 0 BDAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ccc(F)cc1F ZINC000071519246 188113779 /nfs/dbraw/zinc/11/37/79/188113779.db2.gz FWYGAVTYEINBSY-QWRGUYRKSA-N 1 0 215.243 1.982 10 0 BDAERO COc1ccc(CN(C)C(=O)[C@H](C)[NH3+])cc1F ZINC000037498121 188113999 /nfs/dbraw/zinc/11/39/99/188113999.db2.gz LMNKKGRCPZTLHE-QMMMGPOBSA-N 1 0 240.278 1.140 10 0 BDAERO [NH3+]Cc1ccccc1O[C@H]1CCCC[C@H]1O ZINC000037698954 188114148 /nfs/dbraw/zinc/11/41/48/188114148.db2.gz SMKABZSLMCDXSC-YPMHNXCESA-N 1 0 221.300 1.828 10 0 BDAERO [NH3+]Cc1cccc(O[C@H]2CCCC[C@@H]2O)c1 ZINC000037699126 188114177 /nfs/dbraw/zinc/11/41/77/188114177.db2.gz FEVSNXILCHOGTF-STQMWFEESA-N 1 0 221.300 1.828 10 0 BDAERO Cc1ccccc1CC(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000037540815 188114274 /nfs/dbraw/zinc/11/42/74/188114274.db2.gz OVUFJOOWXAAIBV-AWEZNQCLSA-N 1 0 246.354 1.748 10 0 BDAERO CCC[NH2+][C@@H](C(N)=O)c1ccc(OC)cc1 ZINC000037870243 188114469 /nfs/dbraw/zinc/11/44/69/188114469.db2.gz DWMXGTVUQMYWRI-LLVKDONJSA-N 1 0 222.288 1.221 10 0 BDAERO C[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccco1 ZINC000038075086 188116521 /nfs/dbraw/zinc/11/65/21/188116521.db2.gz MVNTZODKQNHNDG-JTQLQIEISA-N 1 0 236.315 1.847 10 0 BDAERO FC(F)(F)C(F)(F)O[C@H]1CC[NH2+]C1 ZINC000091252390 180877652 /nfs/dbraw/zinc/87/76/52/180877652.db2.gz AYIYFHYRAJPVIO-BYPYZUCNSA-N 1 0 205.126 1.520 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCc1nccs1 ZINC000077559174 188116650 /nfs/dbraw/zinc/11/66/50/188116650.db2.gz LYFIWSHIHTWFNE-QMMMGPOBSA-N 1 0 227.333 1.133 10 0 BDAERO CC1(C)C[C@H]([NH3+])C[C@](C)(C[NH2+]CCC(=O)[O-])C1 ZINC000038636270 188117620 /nfs/dbraw/zinc/11/76/20/188117620.db2.gz RGKAWYALXRQNJW-GWCFXTLKSA-N 1 0 242.363 1.594 10 0 BDAERO CCOC(=O)[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000043637570 188122887 /nfs/dbraw/zinc/12/28/87/188122887.db2.gz SJHCYNDZGYPHMM-SNVBAGLBSA-N 1 0 230.352 1.115 10 0 BDAERO CC(C)N(CCO)c1nc2ccccn2c1C[NH3+] ZINC000042480291 188119383 /nfs/dbraw/zinc/11/93/83/188119383.db2.gz UMPKMPNIENNJKN-UHFFFAOYSA-N 1 0 248.330 1.000 10 0 BDAERO CC(C)[C@H](CN)[N@@H+]1CCCSCC1 ZINC000042443766 188119389 /nfs/dbraw/zinc/11/93/89/188119389.db2.gz ZBOIPGYJRHWSIM-JTQLQIEISA-N 1 0 202.367 1.409 10 0 BDAERO CC(C)[N@H+](CC(N)=O)[C@H]1CNc2ccccc2C1 ZINC000042429095 188119392 /nfs/dbraw/zinc/11/93/92/188119392.db2.gz ZBZNYZZZOSTCRK-GFCCVEGCSA-N 1 0 247.342 1.219 10 0 BDAERO CC(C)C[C@@H](C)N(C)[C@@H](C[NH3+])c1cnn(C)c1 ZINC000042577546 188121146 /nfs/dbraw/zinc/12/11/46/188121146.db2.gz QGVULYLCLGGITO-YPMHNXCESA-N 1 0 238.379 1.786 10 0 BDAERO CC(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000083037111 188122109 /nfs/dbraw/zinc/12/21/09/188122109.db2.gz LNKFRYLETBQMHR-NEPJUHHUSA-N 1 0 222.263 1.099 10 0 BDAERO CC[C@@H]1CN(Cc2ccco2)[C@H](C)C[NH2+]1 ZINC000083088162 188122113 /nfs/dbraw/zinc/12/21/13/188122113.db2.gz IGVFEJGVTAKYAZ-GHMZBOCLSA-N 1 0 208.305 1.852 10 0 BDAERO CC(C)[C@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037249860 188106182 /nfs/dbraw/zinc/10/61/82/188106182.db2.gz RSJSGJYYQLBISR-VIFPVBQESA-N 1 0 213.325 1.164 10 0 BDAERO C[N@@H+]1CCC[C@@H](Cn2ccccc2=O)C1 ZINC000013686290 188106381 /nfs/dbraw/zinc/10/63/81/188106381.db2.gz FMWYSRDSTFSEEU-LLVKDONJSA-N 1 0 206.289 1.190 10 0 BDAERO [NH3+]Cc1cccc2[nH]nc(Br)c21 ZINC000089195816 188144340 /nfs/dbraw/zinc/14/43/40/188144340.db2.gz AUDLPTWLXFVVFA-UHFFFAOYSA-N 1 0 226.077 1.784 10 0 BDAERO CSc1nccc(N(C)C[C@H]2CC[NH2+]C2)n1 ZINC000095071840 188145377 /nfs/dbraw/zinc/14/53/77/188145377.db2.gz OAGWBBLHILSGPT-VIFPVBQESA-N 1 0 238.360 1.244 10 0 BDAERO CC(=O)N([C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095082779 188145559 /nfs/dbraw/zinc/14/55/59/188145559.db2.gz DCZBGBAFHRHMOI-ZETCQYMHSA-N 1 0 210.199 1.107 10 0 BDAERO Cc1ccc(NCC2CC[NH2+]CC2)nc1 ZINC000044509233 188123842 /nfs/dbraw/zinc/12/38/42/188123842.db2.gz PTBQTJYYISJRRN-UHFFFAOYSA-N 1 0 205.305 1.802 10 0 BDAERO CC(C)C[C@H](CO)[NH2+]CC(=O)N[C@H](C)C(C)C ZINC000049308313 188124291 /nfs/dbraw/zinc/12/42/91/188124291.db2.gz KVIIFORLSHFOMS-VXGBXAGGSA-N 1 0 244.379 1.144 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)n1ccnc1 ZINC000049559474 188124466 /nfs/dbraw/zinc/12/44/66/188124466.db2.gz KONOWAUWLDMMNC-LLVKDONJSA-N 1 0 238.335 1.417 10 0 BDAERO C[NH2+][C@@H]1CCN(CCc2ccccn2)[C@@H](C)C1 ZINC000049712390 188125774 /nfs/dbraw/zinc/12/57/74/188125774.db2.gz IWQDMUUDJOZOGB-GXTWGEPZSA-N 1 0 233.359 1.696 10 0 BDAERO CC[C@@H]1CN(Cc2ccoc2C[NH3+])CCO1 ZINC000052477121 188126365 /nfs/dbraw/zinc/12/63/65/188126365.db2.gz MIVKQYRCOJXMQO-LLVKDONJSA-N 1 0 224.304 1.349 10 0 BDAERO CC(C)Cn1cnnc1[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070502095 188130257 /nfs/dbraw/zinc/13/02/57/188130257.db2.gz NVRYSGSWHMUELE-GHMZBOCLSA-N 1 0 222.336 1.919 10 0 BDAERO CC(=O)COCC[NH2+]Cc1ccccc1 ZINC000074525130 188131371 /nfs/dbraw/zinc/13/13/71/188131371.db2.gz KSUPGFLWWGNSGR-UHFFFAOYSA-N 1 0 207.273 1.382 10 0 BDAERO Cc1ccc(CNC(=O)C[C@@H](C)C[NH3+])cc1 ZINC000076610162 188134205 /nfs/dbraw/zinc/13/42/05/188134205.db2.gz WOOAXBLIXYJVKB-LLVKDONJSA-N 1 0 220.316 1.596 10 0 BDAERO CN(C(=O)Cc1ccsc1)[C@@H]1CCC[NH2+]C1 ZINC000082499392 188138662 /nfs/dbraw/zinc/13/86/62/188138662.db2.gz HTRGKHPXYKSXFR-LLVKDONJSA-N 1 0 238.356 1.501 10 0 BDAERO CC(C)N(CC[NH2+]C[C@H]1CCOC1)C(C)C ZINC000084523736 188142914 /nfs/dbraw/zinc/14/29/14/188142914.db2.gz JUFHOTLPUKZDEB-CYBMUJFWSA-N 1 0 228.380 1.731 10 0 BDAERO Cc1nnc(SCc2cccnc2C[NH3+])n1C ZINC000103942999 188150599 /nfs/dbraw/zinc/15/05/99/188150599.db2.gz YZWKVRPGWPZHEZ-UHFFFAOYSA-N 1 0 249.343 1.270 10 0 BDAERO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(O)cc1 ZINC000104303072 188151211 /nfs/dbraw/zinc/15/12/11/188151211.db2.gz DIYNBIHHMHKVAB-LLVKDONJSA-N 1 0 236.315 1.495 10 0 BDAERO CCc1nccn1-c1ccc(F)cc1C(N)=[NH2+] ZINC000104236859 188151402 /nfs/dbraw/zinc/15/14/02/188151402.db2.gz OQKZRTDBDVMDJV-UHFFFAOYSA-N 1 0 232.262 1.858 10 0 BDAERO Cc1c(F)cccc1N1CC[C@@H]([NH3+])C1=O ZINC000043321313 188151680 /nfs/dbraw/zinc/15/16/80/188151680.db2.gz VQVCNKPONLNTRW-SECBINFHSA-N 1 0 208.236 1.198 10 0 BDAERO Cc1c(F)cccc1N1CC[C@H](C[NH3+])C1 ZINC000043321381 188152023 /nfs/dbraw/zinc/15/20/23/188152023.db2.gz WGBVJDKXKPWABC-SNVBAGLBSA-N 1 0 208.280 1.919 10 0 BDAERO CSc1ccc(N2CC[C@H]([NH3+])C2=O)cc1 ZINC000049648453 188153609 /nfs/dbraw/zinc/15/36/09/188153609.db2.gz RWCMRIONJZQAOC-JTQLQIEISA-N 1 0 222.313 1.473 10 0 BDAERO Cc1cc(NC(=O)[C@H]2C[NH2+]CCOC2)cs1 ZINC000638994548 353234180 /nfs/dbraw/zinc/23/41/80/353234180.db2.gz NJOJYJCIESJVDC-VIFPVBQESA-N 1 0 240.328 1.231 10 0 BDAERO C[C@H]1CN(C)CCN1C(=O)c1ccc(N)cc1 ZINC000226401726 188155425 /nfs/dbraw/zinc/15/54/25/188155425.db2.gz VLMYLCJVJINADX-JTQLQIEISA-N 1 0 233.315 1.045 10 0 BDAERO CCn1c2ccccc2nc1[C@H](O)C[NH3+] ZINC000076166648 188157400 /nfs/dbraw/zinc/15/74/00/188157400.db2.gz RQNLVHAESPKCSI-SNVBAGLBSA-N 1 0 205.261 1.048 10 0 BDAERO CC(C)=CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000300746854 188159957 /nfs/dbraw/zinc/15/99/57/188159957.db2.gz YDEONKLXVUHUAY-VXGBXAGGSA-N 1 0 222.332 1.648 10 0 BDAERO C[C@@H]1CC(C[NH2+][C@H]2CCOC2)C[C@@H](C)O1 ZINC000336768086 188164922 /nfs/dbraw/zinc/16/49/22/188164922.db2.gz UJEPLKCOSSZATP-FOGDFJRCSA-N 1 0 213.321 1.569 10 0 BDAERO C=COc1cncc(N2CCC[NH2+]CC2)c1 ZINC000013703936 188165874 /nfs/dbraw/zinc/16/58/74/188165874.db2.gz DWHQCXVYIKBENZ-UHFFFAOYSA-N 1 0 219.288 1.404 10 0 BDAERO c1cnc(C2=CCC[C@@H]3CC[C@H]2[NH2+]3)cn1 ZINC000013472630 188166616 /nfs/dbraw/zinc/16/66/16/188166616.db2.gz OUIUWJZTMGVMCX-MWLCHTKSSA-N 1 0 201.273 1.774 10 0 BDAERO c1ncn([C@@H]2CCC[N@@H+](CC3=CCCOC3)C2)n1 ZINC000179470017 188167553 /nfs/dbraw/zinc/16/75/53/188167553.db2.gz JKEURIVFMSLNCI-CYBMUJFWSA-N 1 0 248.330 1.262 10 0 BDAERO CC(C)C[C@H](C)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000300859114 188170845 /nfs/dbraw/zinc/17/08/45/188170845.db2.gz GFZNEOBUGSJZTF-STQMWFEESA-N 1 0 228.380 1.589 10 0 BDAERO [NH3+]CCCc1ccnc(C(F)(F)F)c1 ZINC000095761255 188146210 /nfs/dbraw/zinc/14/62/10/188146210.db2.gz XIIDQHCSAHTGRF-UHFFFAOYSA-N 1 0 204.195 1.992 10 0 BDAERO CN1CC[NH+]=C1c1nc2ccccc2[nH]1 ZINC000095924372 188147663 /nfs/dbraw/zinc/14/76/63/188147663.db2.gz JRFNJVKGNKOKBW-UHFFFAOYSA-N 1 0 200.245 1.255 10 0 BDAERO COc1ccc([C@@H]([NH3+])[C@@H]2CCOC2)cc1 ZINC000040941976 188149530 /nfs/dbraw/zinc/14/95/30/188149530.db2.gz JMLSPRQIEUPOJC-ZYHUDNBSSA-N 1 0 207.273 1.732 10 0 BDAERO CC(C)Cn1cnnc1[C@H]1CCCC[NH2+]1 ZINC000054526258 188176804 /nfs/dbraw/zinc/17/68/04/188176804.db2.gz ZEXBCGDEHRBFJS-SNVBAGLBSA-N 1 0 208.309 1.749 10 0 BDAERO CC(C)N(C)C(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055123223 188177908 /nfs/dbraw/zinc/17/79/08/188177908.db2.gz AEXBDJYWGYFLHW-MNOVXSKESA-N 1 0 212.337 1.761 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1[C@@H]2C[NH3+] ZINC000083323425 188179680 /nfs/dbraw/zinc/17/96/80/188179680.db2.gz COHVJWIPRNUOEK-OPRDCNLKSA-N 1 0 226.320 1.591 10 0 BDAERO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccco1 ZINC000062570021 188185066 /nfs/dbraw/zinc/18/50/66/188185066.db2.gz RSPTVDMLYCBJKS-LBPRGKRZSA-N 1 0 208.305 1.709 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2nccn2C)C[C@@H](C)O1 ZINC000341471764 188217971 /nfs/dbraw/zinc/21/79/71/188217971.db2.gz UGJYQGOEMRWGIY-GHMZBOCLSA-N 1 0 237.347 1.713 10 0 BDAERO C[C@H]1C[NH+]=C(N[C@@]2(C)CCOC2)SC1 ZINC000229480970 353278671 /nfs/dbraw/zinc/27/86/71/353278671.db2.gz FUZJCTOSOGYOQH-WPRPVWTQSA-N 1 0 214.334 1.494 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)C)C1 ZINC000128078849 353282086 /nfs/dbraw/zinc/28/20/86/353282086.db2.gz VOEYTCJVMDPPII-SNVBAGLBSA-N 1 0 227.352 1.568 10 0 BDAERO [NH3+]Cc1cnc(C[C@@H]2CCCCO2)s1 ZINC000129051452 353308422 /nfs/dbraw/zinc/30/84/22/353308422.db2.gz JMIIFWDGULOQCS-QMMMGPOBSA-N 1 0 212.318 1.713 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000308869610 491049192 /nfs/dbraw/zinc/04/91/92/491049192.db2.gz ILLXWHRVWPXDPW-SNVBAGLBSA-N 1 0 224.691 1.318 10 0 BDAERO COC(=O)[C@@H](C[NH3+])C1C2CC3CC(C2)CC1C3 ZINC000216584788 538115830 /nfs/dbraw/zinc/11/58/30/538115830.db2.gz IJIXNKHEVWMPBG-IYBFBTBFSA-N 1 0 237.343 1.807 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]C1CSC1 ZINC000308495775 538116823 /nfs/dbraw/zinc/11/68/23/538116823.db2.gz ACCPGFKYIZPXIJ-SNVBAGLBSA-N 1 0 216.394 1.668 10 0 BDAERO CC[C@@H]1CN(c2ccncc2C#N)CC[C@H]1[NH3+] ZINC000398997921 353497028 /nfs/dbraw/zinc/49/70/28/353497028.db2.gz QNQDJZYPICAQMX-ZYHUDNBSSA-N 1 0 230.315 1.517 10 0 BDAERO Fc1cccc2c1C[C@]1(C[NH+]=CN1)CC2 ZINC000013743708 181006871 /nfs/dbraw/zinc/00/68/71/181006871.db2.gz HLTXXGYZKSNOBQ-LBPRGKRZSA-N 1 0 204.248 1.685 10 0 BDAERO [NH3+]C[C@]1([C@H]2CCSC2)CCCCO1 ZINC000405511748 353726950 /nfs/dbraw/zinc/72/69/50/353726950.db2.gz TUDOQDLKGCPQRL-UWVGGRQHSA-N 1 0 201.335 1.638 10 0 BDAERO Fc1ccccc1C[C@@H]1C[NH2+]CCOC1 ZINC000071511538 181013215 /nfs/dbraw/zinc/01/32/15/181013215.db2.gz MBRNCTORYBDJFG-SNVBAGLBSA-N 1 0 209.264 1.604 10 0 BDAERO Fc1cnc(OCC[C@H]2CCC[NH2+]C2)nc1 ZINC000095072038 181018198 /nfs/dbraw/zinc/01/81/98/181018198.db2.gz UJCKOAGTXUJZLP-SECBINFHSA-N 1 0 225.267 1.384 10 0 BDAERO Fc1cnc(OC[C@H]2CCCC[NH2+]2)nc1 ZINC000095072030 181018474 /nfs/dbraw/zinc/01/84/74/181018474.db2.gz KOLDLOZEAUMINO-SECBINFHSA-N 1 0 211.240 1.137 10 0 BDAERO CCOCC[N@H+](CC)CC1(O)CCC1 ZINC000343502294 353915033 /nfs/dbraw/zinc/91/50/33/353915033.db2.gz SMDLTFAAAKLISY-UHFFFAOYSA-N 1 0 201.310 1.260 10 0 BDAERO CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)[NH2+]C ZINC000083866017 353982365 /nfs/dbraw/zinc/98/23/65/353982365.db2.gz ORDMEQWLLPMROH-LPEHRKFASA-N 1 0 200.326 1.535 10 0 BDAERO C[C@H]1[C@H](Sc2nncn2C)CC[C@@H]1[NH3+] ZINC000252468213 363284659 /nfs/dbraw/zinc/28/46/59/363284659.db2.gz GUENIUFCFSYEBS-GJMOJQLCSA-N 1 0 212.322 1.033 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344026907 354088670 /nfs/dbraw/zinc/08/86/70/354088670.db2.gz JPGKKKAYZCVFNC-AXFHLTTASA-N 1 0 201.310 1.114 10 0 BDAERO COCc1nc(C[NH2+]CCC[C@H](C)O)cs1 ZINC000309689051 491058519 /nfs/dbraw/zinc/05/85/19/491058519.db2.gz INTSHJZNBPVPNH-VIFPVBQESA-N 1 0 244.360 1.540 10 0 BDAERO CO[C@H](C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113227223 354266074 /nfs/dbraw/zinc/26/60/74/354266074.db2.gz VCEVAFYRDQKWAI-IJLUTSLNSA-N 1 0 240.347 1.107 10 0 BDAERO CC(C)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113223613 354257169 /nfs/dbraw/zinc/25/71/69/354257169.db2.gz IHTPGXTVOXUDLL-NWDGAFQWSA-N 1 0 224.348 1.728 10 0 BDAERO CC[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113228849 354287220 /nfs/dbraw/zinc/28/72/20/354287220.db2.gz DJMCXMAPOZEOIF-SDDRHHMPSA-N 1 0 224.348 1.728 10 0 BDAERO [NH3+]Cc1cc2c(cc1Br)NC(=O)C2 ZINC000301045310 363372945 /nfs/dbraw/zinc/37/29/45/363372945.db2.gz NKVPTZQQNDXTRP-UHFFFAOYSA-N 1 0 241.088 1.402 10 0 BDAERO C[C@H]1[C@H](C)OC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000405675683 354645470 /nfs/dbraw/zinc/64/54/70/354645470.db2.gz RXWYNLCTWGOSPJ-GMXVVIOVSA-N 1 0 247.342 1.724 10 0 BDAERO C(c1noc(C2CCCC2)n1)C1C[NH2+]C1 ZINC000214834720 363389319 /nfs/dbraw/zinc/38/93/19/363389319.db2.gz MANQYZYELXZSDX-UHFFFAOYSA-N 1 0 207.277 1.489 10 0 BDAERO CNc1cc(Br)ccc1C(N)=[NH2+] ZINC000166035811 354871233 /nfs/dbraw/zinc/87/12/33/354871233.db2.gz AJQLCKSROHYJDW-UHFFFAOYSA-N 1 0 228.093 1.775 10 0 BDAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000235371196 363442615 /nfs/dbraw/zinc/44/26/15/363442615.db2.gz GONNEGQALWQZEK-WISYIIOYSA-N 1 0 240.347 1.058 10 0 BDAERO CC(C)c1nccnc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000413167276 191360134 /nfs/dbraw/zinc/36/01/34/191360134.db2.gz VGPRUPDIQMHWQK-NWDGAFQWSA-N 1 0 248.374 1.917 10 0 BDAERO CC(C)c1nccnc1NCC(C)(C)[NH+](C)C ZINC000413027525 191337662 /nfs/dbraw/zinc/33/76/62/191337662.db2.gz MOZQWHYWKVPQHJ-UHFFFAOYSA-N 1 0 236.363 1.774 10 0 BDAERO NC(=[NH2+])CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000019425073 181186319 /nfs/dbraw/zinc/18/63/19/181186319.db2.gz WZJXMCUVBIELKE-UHFFFAOYSA-N 1 0 247.298 1.666 10 0 BDAERO NC(=[NH2+])c1cc(C(F)(F)F)ccc1N ZINC000050891500 181194281 /nfs/dbraw/zinc/19/42/81/181194281.db2.gz LGVXBRSHRHKBDE-UHFFFAOYSA-N 1 0 203.167 1.572 10 0 BDAERO NC(=[NH2+])[C@H](O)c1ccc(Cl)cc1Cl ZINC000039135074 181192895 /nfs/dbraw/zinc/19/28/95/181192895.db2.gz NXCBDAHPTVTDJW-SSDOTTSWSA-N 1 0 219.071 1.963 10 0 BDAERO NC(=[NH2+])c1cc(OCc2ccccc2)ccn1 ZINC000061814501 181194386 /nfs/dbraw/zinc/19/43/86/181194386.db2.gz VLUCWEWUUDYFOD-UHFFFAOYSA-N 1 0 227.267 1.945 10 0 BDAERO NC(=[NH2+])c1ccc(Sc2ccccn2)nc1 ZINC000019863357 181195232 /nfs/dbraw/zinc/19/52/32/181195232.db2.gz UQIDETRJPYBIMH-UHFFFAOYSA-N 1 0 230.296 1.912 10 0 BDAERO NC(=[NH2+])c1ccc(OCCc2ccccn2)cc1 ZINC000034958510 181195483 /nfs/dbraw/zinc/19/54/83/181195483.db2.gz RQPAUZSDYRUIPG-UHFFFAOYSA-N 1 0 241.294 1.987 10 0 BDAERO NC(=[NH2+])c1cccc(OCCCn2ccnc2)c1 ZINC000049328300 181195790 /nfs/dbraw/zinc/19/57/90/181195790.db2.gz RTXYTLCYGXYDJD-UHFFFAOYSA-N 1 0 244.298 1.636 10 0 BDAERO NC(=[NH2+])c1ccccc1COCC1CC1 ZINC000019871421 181195948 /nfs/dbraw/zinc/19/59/48/181195948.db2.gz RRTFSOCJNXTQFU-UHFFFAOYSA-N 1 0 204.273 1.897 10 0 BDAERO NC(=[NH2+])c1ccccc1OC[C@@H]1CCOC1 ZINC000049688792 181196056 /nfs/dbraw/zinc/19/60/56/181196056.db2.gz OPAJECOKXVMELJ-SECBINFHSA-N 1 0 220.272 1.386 10 0 BDAERO C[C@@H](C(=O)c1ccco1)[C@@H]1COCC[NH2+]1 ZINC000166447367 355482423 /nfs/dbraw/zinc/48/24/23/355482423.db2.gz PPZFPRYJBYDDDO-BDAKNGLRSA-N 1 0 209.245 1.087 10 0 BDAERO C[C@H](C(=O)c1ccco1)[C@@H]1COCC[NH2+]1 ZINC000166447255 355482809 /nfs/dbraw/zinc/48/28/09/355482809.db2.gz PPZFPRYJBYDDDO-IUCAKERBSA-N 1 0 209.245 1.087 10 0 BDAERO NC(=[NH2+])c1cccnc1Sc1ncccn1 ZINC000019870330 181196645 /nfs/dbraw/zinc/19/66/45/181196645.db2.gz SFUSPONOQNOEFJ-UHFFFAOYSA-N 1 0 231.284 1.307 10 0 BDAERO [NH2+]=C(Nc1ccccc1)NC1(CO)CCCC1 ZINC000053072749 181200277 /nfs/dbraw/zinc/20/02/77/181200277.db2.gz YMESAGQKAOCOIP-UHFFFAOYSA-N 1 0 233.315 1.928 10 0 BDAERO CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CC(=O)N(C)C1)OC ZINC000639321950 355722990 /nfs/dbraw/zinc/72/29/90/355722990.db2.gz QBMNQNPJUZCYNV-SRVKXCTJSA-N 1 0 242.363 1.115 10 0 BDAERO [NH3+]C[C@@H]1CO[C@H](c2ncc(Cl)s2)O1 ZINC000223348547 355738853 /nfs/dbraw/zinc/73/88/53/355738853.db2.gz XKBCLNVZNZUKIB-FBCQKBJTSA-N 1 0 220.681 1.169 10 0 BDAERO CC(C)(C)OC(=O)CN1C[C@H]2CCC[C@H]21 ZINC000350731991 355751514 /nfs/dbraw/zinc/75/15/14/355751514.db2.gz IHPLFBXFNMFXCI-NXEZZACHSA-N 1 0 211.305 1.812 10 0 BDAERO C[C@@H](C[NH3+])Sc1ccc(N)c(F)c1 ZINC000160253185 355760313 /nfs/dbraw/zinc/76/03/13/355760313.db2.gz HIGNRLINLRKHON-LURJTMIESA-N 1 0 200.282 1.847 10 0 BDAERO CCN(C(=O)[C@@H](C)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000399145249 355768452 /nfs/dbraw/zinc/76/84/52/355768452.db2.gz HJNALSALVPZZIS-GHMZBOCLSA-N 1 0 226.364 1.879 10 0 BDAERO CN1C[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1=O ZINC000639322607 355724668 /nfs/dbraw/zinc/72/46/68/355724668.db2.gz XISKQKYPDCMRQZ-YFKTTZPYSA-N 1 0 222.332 1.100 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@@]2(CCOC2)C1 ZINC000191546554 355732111 /nfs/dbraw/zinc/73/21/11/355732111.db2.gz PNZNTRMFVUEUMC-GFCCVEGCSA-N 1 0 212.337 1.097 10 0 BDAERO CCN([C@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000223369410 355776347 /nfs/dbraw/zinc/77/63/47/355776347.db2.gz LLUIUSWLECRFLA-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO COc1ccc(O[C@@H]2CC[NH2+]C2)cc1OC ZINC000035090167 355805712 /nfs/dbraw/zinc/80/57/12/355805712.db2.gz HKFDKWBXYUUWSF-SNVBAGLBSA-N 1 0 223.272 1.445 10 0 BDAERO NC(=O)C1CCC([NH2+]Cc2ccc[nH]2)CC1 ZINC000051789101 181216715 /nfs/dbraw/zinc/21/67/15/181216715.db2.gz ULLNUIJNWMYKER-UHFFFAOYSA-N 1 0 221.304 1.148 10 0 BDAERO NC(=O)C1([NH2+]CC2CC2)CCCCCC1 ZINC000038000898 181213953 /nfs/dbraw/zinc/21/39/53/181213953.db2.gz KCSHMWZDEVWOKN-UHFFFAOYSA-N 1 0 210.321 1.564 10 0 BDAERO NC(=O)C1([NH3+])CCC(c2ccccc2)CC1 ZINC000037459996 181214043 /nfs/dbraw/zinc/21/40/43/181214043.db2.gz DUFIKTZJGSEUGK-UHFFFAOYSA-N 1 0 218.300 1.527 10 0 BDAERO CO[C@@H](C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000389200949 355849102 /nfs/dbraw/zinc/84/91/02/355849102.db2.gz DIPILBAPAXMZBQ-VHSXEESVSA-N 1 0 203.326 1.408 10 0 BDAERO CC1=CCN([C@H](C[NH3+])C(F)(F)F)CC1 ZINC000168499906 355857837 /nfs/dbraw/zinc/85/78/37/355857837.db2.gz CCJJQALZFINLOC-MRVPVSSYSA-N 1 0 208.227 1.528 10 0 BDAERO CCOC(C)(C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000389327163 355966148 /nfs/dbraw/zinc/96/61/48/355966148.db2.gz KDKYVHPCQFASGI-JTQLQIEISA-N 1 0 217.353 1.798 10 0 BDAERO NC(=O)CC[NH2+]Cc1ccccc1OC(F)F ZINC000035149789 181225485 /nfs/dbraw/zinc/22/54/85/181225485.db2.gz PGNRWXFSLPOEAO-UHFFFAOYSA-N 1 0 244.241 1.253 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000020578085 181241430 /nfs/dbraw/zinc/24/14/30/181241430.db2.gz YMZXNAGWZHBHHG-MRVPVSSYSA-N 1 0 232.205 1.581 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc(Br)s1 ZINC000020578250 181241954 /nfs/dbraw/zinc/24/19/54/181241954.db2.gz ZUYPCNFWCUIZFA-SCSAIBSYSA-N 1 0 249.133 1.386 10 0 BDAERO CCOC(=O)COCC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000351720233 356070520 /nfs/dbraw/zinc/07/05/20/356070520.db2.gz SSAIMZWERCHPHL-GHMZBOCLSA-N 1 0 227.304 1.050 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1cccc2[nH]ccc21 ZINC000044254877 181245431 /nfs/dbraw/zinc/24/54/31/181245431.db2.gz NUNPSYGCRWAWNR-VIFPVBQESA-N 1 0 203.245 1.043 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000020577939 181245500 /nfs/dbraw/zinc/24/55/00/181245500.db2.gz SYNOOSBGPIGXEL-QMMMGPOBSA-N 1 0 233.098 1.869 10 0 BDAERO CC(C)(C)CCCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000420396152 192236698 /nfs/dbraw/zinc/23/66/98/192236698.db2.gz COTQLFWGMYLSBS-NWDGAFQWSA-N 1 0 226.364 1.485 10 0 BDAERO NC(=O)[C@@]([NH3+])(Cc1ccccc1)c1ccccc1 ZINC000037515001 181275068 /nfs/dbraw/zinc/27/50/68/181275068.db2.gz PQQZXFVMQSHFNW-OAHLLOKOSA-N 1 0 240.306 1.569 10 0 BDAERO [NH3+]C[C@H]1CCCN(CC(=O)c2ccccc2)C1 ZINC000145360471 356481190 /nfs/dbraw/zinc/48/11/90/356481190.db2.gz RPUGQAUNSGKTRG-GFCCVEGCSA-N 1 0 232.327 1.540 10 0 BDAERO CCc1nc(C)cc(N[C@@H]2CC[N@@H+](CC)C2)n1 ZINC000389405905 356490288 /nfs/dbraw/zinc/49/02/88/356490288.db2.gz LVGMUXPWTSDEQN-LLVKDONJSA-N 1 0 234.347 1.275 10 0 BDAERO NC(=O)[C@]1([NH3+])CCCCc2ccccc21 ZINC000037870578 181284554 /nfs/dbraw/zinc/28/45/54/181284554.db2.gz IPGQCEYTUPJCGA-LBPRGKRZSA-N 1 0 204.273 1.052 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCOCC1CCC1 ZINC000421004960 192298910 /nfs/dbraw/zinc/29/89/10/192298910.db2.gz FZKOUSLJIJBNQY-WCQYABFASA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@]2([NH3+])C[C@@H]12 ZINC000083297626 538466281 /nfs/dbraw/zinc/46/62/81/538466281.db2.gz XSTOWBSLINCVAA-LDYMZIIASA-N 1 0 212.293 1.487 10 0 BDAERO CCC[C@]1(CNC(=O)CC(C)C)C[NH2+]CCO1 ZINC000675059507 538484166 /nfs/dbraw/zinc/48/41/66/538484166.db2.gz QLMHRNZIZJBXGY-CYBMUJFWSA-N 1 0 242.363 1.307 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CC[NH2+][C@@H]21 ZINC000675058434 538481569 /nfs/dbraw/zinc/48/15/69/538481569.db2.gz GEDZHUPGNTZCPE-BBBLOLIVSA-N 1 0 226.320 1.652 10 0 BDAERO [NH3+]C1(c2c(F)cccc2Cl)CC(O)C1 ZINC000675058717 538482456 /nfs/dbraw/zinc/48/24/56/538482456.db2.gz VANYOXNTBQKPRO-UHFFFAOYSA-N 1 0 215.655 1.788 10 0 BDAERO COc1cccc([C@@H]2CC[C@H](C[NH3+])OC2)c1 ZINC000675058570 538482554 /nfs/dbraw/zinc/48/25/54/538482554.db2.gz MGBBNRMBZQDMGE-DGCLKSJQSA-N 1 0 221.300 1.917 10 0 BDAERO Nc1c(F)ccc(C2=CC[NH2+]CC2)c1F ZINC000675059137 538483205 /nfs/dbraw/zinc/48/32/05/538483205.db2.gz LCRMVOSHYYFZTB-UHFFFAOYSA-N 1 0 210.227 1.924 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000675051004 538473218 /nfs/dbraw/zinc/47/32/18/538473218.db2.gz GIAYWTQLDKTIFC-GRYCIOLGSA-N 1 0 241.379 1.657 10 0 BDAERO CCC(=O)N([C@@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675056357 538478155 /nfs/dbraw/zinc/47/81/55/538478155.db2.gz JFMFMSPTQUGBSY-QMMMGPOBSA-N 1 0 238.253 1.667 10 0 BDAERO CC(=O)N([C@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675056454 538478185 /nfs/dbraw/zinc/47/81/85/538478185.db2.gz KIRLGCTZJAWSNH-MRVPVSSYSA-N 1 0 224.226 1.277 10 0 BDAERO CC(C)(C)NC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056830 538478878 /nfs/dbraw/zinc/47/88/78/538478878.db2.gz PZMJKCVJFUKBCC-UWVGGRQHSA-N 1 0 225.336 1.178 10 0 BDAERO Cc1cn2c(n1)[C@H](CC(F)F)[NH2+]CCC2 ZINC000675068345 538496324 /nfs/dbraw/zinc/49/63/24/538496324.db2.gz PJUOWILCKHUPOR-QMMMGPOBSA-N 1 0 215.247 1.881 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](C2CCS(=O)(=O)CC2)C1 ZINC000675060290 538485828 /nfs/dbraw/zinc/48/58/28/538485828.db2.gz VKEFJJWZNCVKCL-MWLCHTKSSA-N 1 0 231.361 1.057 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)nc1)C(N)=O ZINC000083455781 538500166 /nfs/dbraw/zinc/50/01/66/538500166.db2.gz LAECLLCETBOPIM-SNVBAGLBSA-N 1 0 241.722 1.335 10 0 BDAERO CC[C@H](C)N(OC)C1CCC([NH3+])CC1 ZINC000675072995 538505154 /nfs/dbraw/zinc/50/51/54/538505154.db2.gz GIJNYNGTVLSWTD-WHXUTIOJSA-N 1 0 200.326 1.918 10 0 BDAERO c1nn2c(c1[C@@H]1CCC[NH2+]C1)NCCC2 ZINC000675073160 538505378 /nfs/dbraw/zinc/50/53/78/538505378.db2.gz STRZTEQCLTXODO-SECBINFHSA-N 1 0 206.293 1.166 10 0 BDAERO CC(C)[C@H](C)C(=O)Nc1nc(C[NH3+])cs1 ZINC000675073590 538505553 /nfs/dbraw/zinc/50/55/53/538505553.db2.gz QNHXQPSXXHOCGD-ZETCQYMHSA-N 1 0 227.333 1.832 10 0 BDAERO CC(C)NC(=O)Nc1nc(C[NH3+])cs1 ZINC000675073543 538506169 /nfs/dbraw/zinc/50/61/69/538506169.db2.gz PSCVCWFYPRRYEO-UHFFFAOYSA-N 1 0 214.294 1.132 10 0 BDAERO OC[C@H]1[NH2+]CCOc2ccc(Cl)cc21 ZINC000675073735 538506289 /nfs/dbraw/zinc/50/62/89/538506289.db2.gz MWVVZNIBRWJCBI-SECBINFHSA-N 1 0 213.664 1.355 10 0 BDAERO C[C@@H](C[NH3+])CNc1ncc(Cl)cn1 ZINC000168157177 134156214 /nfs/dbraw/zinc/15/62/14/134156214.db2.gz XOVUFXKWDKNNTM-LURJTMIESA-N 1 0 200.673 1.137 10 0 BDAERO COc1nsc(OC)c1C[NH2+]CC(C)C ZINC000675075406 538508808 /nfs/dbraw/zinc/50/88/08/538508808.db2.gz NMMQESRQZNAJOZ-UHFFFAOYSA-N 1 0 230.333 1.906 10 0 BDAERO COc1ccc(C2=C[C@H](O)C[NH2+]C2)cc1 ZINC000675076930 538510940 /nfs/dbraw/zinc/51/09/40/538510940.db2.gz HLWCDWISMFRIHV-NSHDSACASA-N 1 0 205.257 1.043 10 0 BDAERO O=C1NCCC[NH2+][C@@H]1CC1CCCCC1 ZINC000675068982 538497530 /nfs/dbraw/zinc/49/75/30/538497530.db2.gz UQGUBRNIKWMQPS-LLVKDONJSA-N 1 0 210.321 1.435 10 0 BDAERO CC(C)CNC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675069017 538497747 /nfs/dbraw/zinc/49/77/47/538497747.db2.gz FWVBAAVLHDTMNM-ZYHUDNBSSA-N 1 0 225.336 1.084 10 0 BDAERO Cc1cc(F)ccc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675077549 538514329 /nfs/dbraw/zinc/51/43/29/538514329.db2.gz ODAMTYISKYTVKL-LLVKDONJSA-N 1 0 207.248 1.482 10 0 BDAERO O[C@H]1C=C(Cc2cccc(F)c2)C[NH2+]C1 ZINC000675077990 538515546 /nfs/dbraw/zinc/51/55/46/538515546.db2.gz ULOIGMZXTQWHCB-LBPRGKRZSA-N 1 0 207.248 1.259 10 0 BDAERO [NH3+][C@@H]1C=C(c2occc2Br)CNC1 ZINC000675078809 538515924 /nfs/dbraw/zinc/51/59/24/538515924.db2.gz TZPHETSRLSLQPY-SSDOTTSWSA-N 1 0 243.104 1.356 10 0 BDAERO FC(F)c1nnc(C2=CC[NH2+]CC2)o1 ZINC000675082597 538522908 /nfs/dbraw/zinc/52/29/08/538522908.db2.gz OVXXYHGLJSVUQS-UHFFFAOYSA-N 1 0 201.176 1.384 10 0 BDAERO N[C@H]1C=C(Cc2cncc(Cl)c2)C[NH2+]C1 ZINC000675078232 538516625 /nfs/dbraw/zinc/51/66/25/538516625.db2.gz OCCLASNPQVHWBV-NSHDSACASA-N 1 0 223.707 1.134 10 0 BDAERO N[C@H]1C=C(C[C@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675079003 538517117 /nfs/dbraw/zinc/51/71/17/538517117.db2.gz URNNAOKQCKSRIQ-ZJUUUORDSA-N 1 0 216.275 1.669 10 0 BDAERO CC[C@H]([NH3+])CNc1nnc(C(F)(F)F)s1 ZINC000168095366 134156302 /nfs/dbraw/zinc/15/63/02/134156302.db2.gz CBXJHSQBLDUECX-BYPYZUCNSA-N 1 0 240.254 1.706 10 0 BDAERO CO[C@@H]1CCC[C@H](C2=C[C@@H](O)C[NH2+]C2)C1 ZINC000675077294 538511959 /nfs/dbraw/zinc/51/19/59/538511959.db2.gz KYFJRCVMAPVHPD-MVWJERBFSA-N 1 0 211.305 1.082 10 0 BDAERO CCc1ccc(C2=C[C@@H](N)C[NH2+]C2)cc1 ZINC000675077513 538512303 /nfs/dbraw/zinc/51/23/03/538512303.db2.gz FTBGZWGEBIGTRF-CYBMUJFWSA-N 1 0 202.301 1.563 10 0 BDAERO Cc1ccc(CC2=C[C@H](O)C[NH2+]C2)cc1 ZINC000675076867 538512551 /nfs/dbraw/zinc/51/25/51/538512551.db2.gz GQFBVCUFYJIPER-ZDUSSCGKSA-N 1 0 203.285 1.428 10 0 BDAERO Cc1cccc(C2=C[C@H](N)C[NH2+]C2)c1C ZINC000675077392 538512650 /nfs/dbraw/zinc/51/26/50/538512650.db2.gz DFCUUBWFTOZBTF-LBPRGKRZSA-N 1 0 202.301 1.617 10 0 BDAERO Cc1csc(C)c1C1=C[C@H](O)C[NH2+]C1 ZINC000675077283 538512887 /nfs/dbraw/zinc/51/28/87/538512887.db2.gz KUDKHRUWTGASQA-JTQLQIEISA-N 1 0 209.314 1.712 10 0 BDAERO [NH3+]C[C@H]1C[C@]1(CO)c1ccccc1Cl ZINC000675077836 538513073 /nfs/dbraw/zinc/51/30/73/538513073.db2.gz JAUZVXAEGQPQQW-LDYMZIIASA-N 1 0 211.692 1.549 10 0 BDAERO [NH3+]C[C@H]1C[C@@]1(CO)c1ccccc1Cl ZINC000675077828 538513148 /nfs/dbraw/zinc/51/31/48/538513148.db2.gz JAUZVXAEGQPQQW-KCJUWKMLSA-N 1 0 211.692 1.549 10 0 BDAERO CC(C)c1nc(C[C@H]2CC[NH2+]C2)n(C)n1 ZINC000084381283 538531926 /nfs/dbraw/zinc/53/19/26/538531926.db2.gz MNJPALJKDPXUQO-SECBINFHSA-N 1 0 208.309 1.091 10 0 BDAERO COCC[NH2+]C[C@H](C)CC(C)(C)OC ZINC000084327890 538532770 /nfs/dbraw/zinc/53/27/70/538532770.db2.gz AVGWMSQCVBHBLZ-SNVBAGLBSA-N 1 0 203.326 1.674 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)c1csc(C)n1 ZINC000127059955 538538321 /nfs/dbraw/zinc/53/83/21/538538321.db2.gz UJEQWSWIQRQCCB-VXNVDRBHSA-N 1 0 200.307 1.470 10 0 BDAERO CC[C@@H](C[NH3+])[C@H](O)c1csc(C)n1 ZINC000127059311 538539502 /nfs/dbraw/zinc/53/95/02/538539502.db2.gz UJEQWSWIQRQCCB-CBAPKCEASA-N 1 0 200.307 1.470 10 0 BDAERO CSCC[C@@H](O)C1(C[NH3+])CCCC1 ZINC000085919155 538548980 /nfs/dbraw/zinc/54/89/80/538548980.db2.gz WPZGPJYGBNGNNA-SECBINFHSA-N 1 0 203.351 1.620 10 0 BDAERO O=C(C[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000086499680 538556070 /nfs/dbraw/zinc/55/60/70/538556070.db2.gz BRSPVKUTJMSIIN-LLVKDONJSA-N 1 0 204.273 1.797 10 0 BDAERO [NH3+][C@H](Cc1ccncc1)c1ncccn1 ZINC000083951501 538525924 /nfs/dbraw/zinc/52/59/24/538525924.db2.gz MCNSZYYZIQDCLE-SNVBAGLBSA-N 1 0 200.245 1.114 10 0 BDAERO CCOC(=O)C(=O)C[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000130313348 538590422 /nfs/dbraw/zinc/59/04/22/538590422.db2.gz YBXTWEBNOWIDKX-BDAKNGLRSA-N 1 0 213.277 1.039 10 0 BDAERO Cc1cc(C[NH2+][C@@H](C(N)=O)C(C)C)ccc1F ZINC000223960044 538594888 /nfs/dbraw/zinc/59/48/88/538594888.db2.gz XFVIVTGEHQYHPT-GFCCVEGCSA-N 1 0 238.306 1.734 10 0 BDAERO Cc1ccc(F)c(C[NH2+][C@@H](C(N)=O)C(C)C)c1 ZINC000227287408 538617076 /nfs/dbraw/zinc/61/70/76/538617076.db2.gz BUKHBXBLYJRMHO-GFCCVEGCSA-N 1 0 238.306 1.734 10 0 BDAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)O1 ZINC000659362992 491104402 /nfs/dbraw/zinc/10/44/02/491104402.db2.gz YWWBJHYTOBLVRR-GRYCIOLGSA-N 1 0 240.347 1.060 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)c2cncs2)C1 ZINC000389526997 356948673 /nfs/dbraw/zinc/94/86/73/356948673.db2.gz HVGXZCCLHVSSGF-ZJUUUORDSA-N 1 0 225.361 1.888 10 0 BDAERO CCCc1nc(Br)cc(NN)[nH+]1 ZINC000160419601 356957981 /nfs/dbraw/zinc/95/79/81/356957981.db2.gz GZCQUKQNRYAXPM-UHFFFAOYSA-N 1 0 231.097 1.477 10 0 BDAERO Cc1ccnc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389732699 357020909 /nfs/dbraw/zinc/02/09/09/357020909.db2.gz RNUCFNZFATZHFO-WCBMZHEXSA-N 1 0 206.293 1.195 10 0 BDAERO CC[C@@H]1NCN(C[C@@H]2CCCS2)C1=O ZINC000130003180 357137395 /nfs/dbraw/zinc/13/73/95/357137395.db2.gz MXMGWBOHLSRHFP-IUCAKERBSA-N 1 0 214.334 1.050 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C(C)C)C1 ZINC000121765740 357150799 /nfs/dbraw/zinc/15/07/99/357150799.db2.gz ZHIJMIXXDRICOP-LLVKDONJSA-N 1 0 227.352 1.521 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC000121800440 357153740 /nfs/dbraw/zinc/15/37/40/357153740.db2.gz GOLMTVJMUPTDTL-NSHDSACASA-N 1 0 224.348 1.729 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC000121800268 357153755 /nfs/dbraw/zinc/15/37/55/357153755.db2.gz GOLMTVJMUPTDTL-LLVKDONJSA-N 1 0 224.348 1.729 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000156942913 538804274 /nfs/dbraw/zinc/80/42/74/538804274.db2.gz UPIXUFKQAYTCNQ-VLEAKVRGSA-N 1 0 201.310 1.160 10 0 BDAERO CCc1nc(C)cc(N[C@H](C)CCC[NH3+])n1 ZINC000304357855 357164099 /nfs/dbraw/zinc/16/40/99/357164099.db2.gz RPMQFUWRSDWDCE-SECBINFHSA-N 1 0 222.336 1.887 10 0 BDAERO CCN(C)c1nc2sccn2c1C[NH3+] ZINC000035430063 357240597 /nfs/dbraw/zinc/24/05/97/357240597.db2.gz SXGYEZZYVCOQOR-UHFFFAOYSA-N 1 0 210.306 1.311 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c(F)c1 ZINC000631183280 357240675 /nfs/dbraw/zinc/24/06/75/357240675.db2.gz MMLFEZZVLFLWBN-OLZOCXBDSA-N 1 0 239.290 1.374 10 0 BDAERO C[NH2+]CCn1nc(C)c(Br)c1C ZINC000026547387 357175239 /nfs/dbraw/zinc/17/52/39/357175239.db2.gz CTVSYZSEFVTVGK-UHFFFAOYSA-N 1 0 232.125 1.482 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C ZINC000130073918 357177736 /nfs/dbraw/zinc/17/77/36/357177736.db2.gz VNXXBSCOBQSFPZ-MWLCHTKSSA-N 1 0 210.346 1.930 10 0 BDAERO CC(C)C1([NH2+]CCCN2CCCC2=O)CC1 ZINC000393514358 357286321 /nfs/dbraw/zinc/28/63/21/357286321.db2.gz ZLQOEVPBBDFGKK-UHFFFAOYSA-N 1 0 224.348 1.777 10 0 BDAERO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000393585344 357288303 /nfs/dbraw/zinc/28/83/03/357288303.db2.gz QRPCMGQTHIBLAO-GHMZBOCLSA-N 1 0 229.364 1.677 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2)CCO1 ZINC000389556468 538821938 /nfs/dbraw/zinc/82/19/38/538821938.db2.gz RTWGCXWLAWSJCJ-FRRDWIJNSA-N 1 0 226.364 1.628 10 0 BDAERO O=C(c1ccc(Cl)s1)[C@H]1C[NH2+]CCO1 ZINC000168823057 357246452 /nfs/dbraw/zinc/24/64/52/357246452.db2.gz CPLBRJFJVAXSKE-ZCFIWIBFSA-N 1 0 231.704 1.573 10 0 BDAERO C[NH+](C)CCOc1cncc(Cl)c1 ZINC000013819607 538823468 /nfs/dbraw/zinc/82/34/68/538823468.db2.gz YSNAEMBEDSWMSL-UHFFFAOYSA-N 1 0 200.669 1.675 10 0 BDAERO OC1(c2cscn2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169174774 357264564 /nfs/dbraw/zinc/26/45/64/357264564.db2.gz NMIDDHDALOUIEX-JWHQNHQBSA-N 1 0 210.302 1.245 10 0 BDAERO CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CO)CCO1 ZINC000393140393 357277877 /nfs/dbraw/zinc/27/78/77/357277877.db2.gz CAHGGTJIGZVNSE-NNYUYHANSA-N 1 0 213.321 1.160 10 0 BDAERO CCN(CCC(N)=[NH2+])c1cc(C(C)C)ncn1 ZINC000042453205 169816391 /nfs/dbraw/zinc/81/63/91/169816391.db2.gz OEJIBBVWMVPESL-UHFFFAOYSA-N 1 0 235.335 1.752 10 0 BDAERO Cc1cnc([C@H](C)[NH2+]CCCn2ccnc2)o1 ZINC000230644606 357543331 /nfs/dbraw/zinc/54/33/31/357543331.db2.gz NWQYJVTZBSLQCZ-NSHDSACASA-N 1 0 234.303 1.920 10 0 BDAERO C[C@H]([NH3+])CCNc1ncccc1Br ZINC000063171424 357552615 /nfs/dbraw/zinc/55/26/15/357552615.db2.gz VVHZXHYQXJXHAG-ZETCQYMHSA-N 1 0 244.136 1.993 10 0 BDAERO C[C@@H]1CC[C@H](C[N@H+]2[C@H](C)COC[C@@H]2C)O1 ZINC000188555407 357561622 /nfs/dbraw/zinc/56/16/22/357561622.db2.gz XYGGTAKNZOTWMU-WRWGMCAJSA-N 1 0 213.321 1.663 10 0 BDAERO C[C@@H]1CC[C@@H](C[N@H+]2[C@H](C)COC[C@@H]2C)O1 ZINC000188555459 357561740 /nfs/dbraw/zinc/56/17/40/357561740.db2.gz XYGGTAKNZOTWMU-KXNHARMFSA-N 1 0 213.321 1.663 10 0 BDAERO C[C@H]1CC[C@@H](C[N@@H+]2CCCN(C3CC3)CC2)O1 ZINC000188551477 357561794 /nfs/dbraw/zinc/56/17/94/357561794.db2.gz DCFLBWKTORTUPF-JSGCOSHPSA-N 1 0 238.375 1.724 10 0 BDAERO CCN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189320406 357630822 /nfs/dbraw/zinc/63/08/22/357630822.db2.gz OUIAFQZJTIWCCQ-DTWKUNHWSA-N 1 0 211.265 1.160 10 0 BDAERO CCC(CC)C[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000159262788 538876359 /nfs/dbraw/zinc/87/63/59/538876359.db2.gz MRUFTSHHVAFXQZ-CYBMUJFWSA-N 1 0 228.380 1.733 10 0 BDAERO C/C=C/C=C/C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000231451593 357615403 /nfs/dbraw/zinc/61/54/03/357615403.db2.gz LMZMUYGKMZIMSR-ZNOLUKTJSA-N 1 0 234.343 1.862 10 0 BDAERO C/C=C/C(=O)N[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000685939231 538886371 /nfs/dbraw/zinc/88/63/71/538886371.db2.gz OQHCZXQYRNHPLQ-HZIBQTDNSA-N 1 0 236.237 1.219 10 0 BDAERO C/C=C/C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000685939236 538886606 /nfs/dbraw/zinc/88/66/06/538886606.db2.gz SVGUWROCELPEGP-YEMZYZDBSA-N 1 0 236.237 1.301 10 0 BDAERO CCC(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000685945793 538887019 /nfs/dbraw/zinc/88/70/19/538887019.db2.gz BEFHKDXEEZJQDH-SFYZADRCSA-N 1 0 238.253 1.443 10 0 BDAERO O=C(NC[C@]12CC[C@@H]1CC[NH2+]2)C1CCC1 ZINC000685946036 538887525 /nfs/dbraw/zinc/88/75/25/538887525.db2.gz CBVUJEMWFXLSKJ-ZYHUDNBSSA-N 1 0 208.305 1.045 10 0 BDAERO CC(C)NC(=O)NC1CCC(C)([NH3+])CC1 ZINC000685946869 538888236 /nfs/dbraw/zinc/88/82/36/538888236.db2.gz DRNOGYVKVSBTTE-UHFFFAOYSA-N 1 0 213.325 1.354 10 0 BDAERO CC(C)(C)NC(=O)NC[C@]12CC[C@@H]1CC[NH2+]2 ZINC000685946433 538888328 /nfs/dbraw/zinc/88/83/28/538888328.db2.gz KNIOISLPXGUBCV-BXKDBHETSA-N 1 0 225.336 1.226 10 0 BDAERO CCC[C@@H](C)C(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000685947213 538888570 /nfs/dbraw/zinc/88/85/70/538888570.db2.gz JXOCDQWQYUQJAC-LLVKDONJSA-N 1 0 224.348 1.635 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000232145719 357652710 /nfs/dbraw/zinc/65/27/10/357652710.db2.gz FSASGEGAIXYUNI-KBPBESRZSA-N 1 0 241.375 1.632 10 0 BDAERO CC[C@@]1([NH3+])CCCN(C(=O)CC(C)C)C1 ZINC000685947217 538888861 /nfs/dbraw/zinc/88/88/61/538888861.db2.gz KAUXYHPYQLWKGF-GFCCVEGCSA-N 1 0 212.337 1.762 10 0 BDAERO CC[C@@]1([NH3+])CCCN(C(=O)NC(C)C)C1 ZINC000685947132 538889023 /nfs/dbraw/zinc/88/90/23/538889023.db2.gz JKCVWZNDRSIEPS-LLVKDONJSA-N 1 0 213.325 1.308 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CCC1(O)CCC1 ZINC000397717045 357653949 /nfs/dbraw/zinc/65/39/49/357653949.db2.gz SXFHCCKUAVQHEI-LBPRGKRZSA-N 1 0 245.363 1.059 10 0 BDAERO CC(C)(C)C(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685947332 538889238 /nfs/dbraw/zinc/88/92/38/538889238.db2.gz MDWLRPOMEKLTBX-UHFFFAOYSA-N 1 0 210.321 1.245 10 0 BDAERO CC[C@]1([NH3+])CCCN(C(=O)C(C)(C)C)C1 ZINC000685947848 538889717 /nfs/dbraw/zinc/88/97/17/538889717.db2.gz RVQOJUHOBWTWLF-LBPRGKRZSA-N 1 0 212.337 1.762 10 0 BDAERO CC1(C(=O)N[C@]23CC[NH2+][C@H]2CCCC3)CC1 ZINC000685948524 538890930 /nfs/dbraw/zinc/89/09/30/538890930.db2.gz AQGUXEPSVCMBGZ-GXFFZTMASA-N 1 0 222.332 1.577 10 0 BDAERO CC(C)[NH+](C(C)C)[C@@H]1CCNC[C@H]1F ZINC000685948679 538891405 /nfs/dbraw/zinc/89/14/05/538891405.db2.gz TVDTXPOWZOBRGI-GHMZBOCLSA-N 1 0 202.317 1.805 10 0 BDAERO [NH3+][C@@]12CCN(C(=O)C3CC3)[C@@H]1CCCC2 ZINC000685949059 538891490 /nfs/dbraw/zinc/89/14/90/538891490.db2.gz JSDRXUXFVUZXOW-PWSUYJOCSA-N 1 0 208.305 1.269 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NCC1CC([NH3+])C1 ZINC000685948805 538891508 /nfs/dbraw/zinc/89/15/08/538891508.db2.gz GBCNDIOWARVVOW-XNWIYYODSA-N 1 0 213.325 1.067 10 0 BDAERO CC(C)[C@H](C)NC(=O)NCC1CC([NH3+])C1 ZINC000685948804 538891572 /nfs/dbraw/zinc/89/15/72/538891572.db2.gz GBCNDIOWARVVOW-IDKOKCKLSA-N 1 0 213.325 1.067 10 0 BDAERO CC(C)NC(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685949257 538892378 /nfs/dbraw/zinc/89/23/78/538892378.db2.gz NOFQDQNEXDFDEA-CMPLNLGQSA-N 1 0 225.336 1.369 10 0 BDAERO CCC[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000685949471 538892601 /nfs/dbraw/zinc/89/26/01/538892601.db2.gz SNFBZLBQKHYXEX-UHFFFAOYSA-N 1 0 229.320 1.034 10 0 BDAERO CC(C)NC(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685949631 538893107 /nfs/dbraw/zinc/89/31/07/538893107.db2.gz VRDMUZUTAUBDCB-PWSUYJOCSA-N 1 0 225.336 1.450 10 0 BDAERO CC(C)(C)CN1C(=S)N=NC1C1C[NH2+]C1 ZINC000685950174 538893666 /nfs/dbraw/zinc/89/36/66/538893666.db2.gz QTQCRBXXIMBPOM-UHFFFAOYSA-N 1 0 226.349 1.300 10 0 BDAERO CC[NH2+]Cc1nnc(-c2ccns2)o1 ZINC000685950371 538894058 /nfs/dbraw/zinc/89/40/58/538894058.db2.gz NUQKTMLMOUVHHJ-UHFFFAOYSA-N 1 0 210.262 1.303 10 0 BDAERO CCC(=O)CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000190233729 357697233 /nfs/dbraw/zinc/69/72/33/357697233.db2.gz QHRJHUOMDLMRRL-RYUDHWBXSA-N 1 0 224.348 1.524 10 0 BDAERO CCC(=O)CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000190285241 357699101 /nfs/dbraw/zinc/69/91/01/357699101.db2.gz SHTWZZMJSKERMX-CQSZACIVSA-N 1 0 248.326 1.904 10 0 BDAERO COCCN(C)c1ccc(C[NH2+][C@H]2C[C@H]2C)cn1 ZINC000190952027 357734866 /nfs/dbraw/zinc/73/48/66/357734866.db2.gz ZICJMEKLUQIQBQ-YPMHNXCESA-N 1 0 249.358 1.662 10 0 BDAERO CC[NH+](CC)CCCN1[C@H](C)COC[C@@H]1C ZINC000191507224 357777890 /nfs/dbraw/zinc/77/78/90/357777890.db2.gz VDBQHIMWZSDLCC-BETUJISGSA-N 1 0 228.380 1.828 10 0 BDAERO CC(C)[NH2+]CCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000191456575 357771478 /nfs/dbraw/zinc/77/14/78/357771478.db2.gz FPVAPGIFBNJKKX-LBPRGKRZSA-N 1 0 236.363 1.587 10 0 BDAERO CC(C)[NH2+]CCN1CCC(c2cc[nH]n2)CC1 ZINC000191469367 357772597 /nfs/dbraw/zinc/77/25/97/357772597.db2.gz XMCGRRVVQHTTMF-UHFFFAOYSA-N 1 0 236.363 1.587 10 0 BDAERO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCCO[C@H]1C ZINC000191735099 357791865 /nfs/dbraw/zinc/79/18/65/357791865.db2.gz SIVIRLYFHDEKGA-NWDGAFQWSA-N 1 0 242.363 1.258 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncccn1 ZINC000192026031 357813919 /nfs/dbraw/zinc/81/39/19/357813919.db2.gz ADLSCFPDRYOGFL-NWDGAFQWSA-N 1 0 232.331 1.145 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]Cc1cnc(C)o1 ZINC000397974353 357817789 /nfs/dbraw/zinc/81/77/89/357817789.db2.gz KDRIZCQYQWEILN-NSHDSACASA-N 1 0 242.319 1.250 10 0 BDAERO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)O1 ZINC000398168051 357855940 /nfs/dbraw/zinc/85/59/40/357855940.db2.gz SPYAXENLMYNJSL-WRWGMCAJSA-N 1 0 213.321 1.447 10 0 BDAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC000235364603 357867655 /nfs/dbraw/zinc/86/76/55/357867655.db2.gz NRTNSLNHWKQCIM-KOLCDFICSA-N 1 0 234.299 1.120 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@@H](c2cnn(C)c2)C1 ZINC000193446261 357927929 /nfs/dbraw/zinc/92/79/29/357927929.db2.gz GKMMHITZTDKXLL-GFCCVEGCSA-N 1 0 236.363 1.207 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCn1cc(Cl)cn1 ZINC000639938829 357945785 /nfs/dbraw/zinc/94/57/85/357945785.db2.gz MLICMZQJTJLDDX-MWLCHTKSSA-N 1 0 243.738 1.382 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000639941198 357953148 /nfs/dbraw/zinc/95/31/48/357953148.db2.gz KAZIYGNCQWBTSQ-UPJWGTAASA-N 1 0 243.347 1.027 10 0 BDAERO COc1cccnc1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000160299974 357972362 /nfs/dbraw/zinc/97/23/62/357972362.db2.gz FUTDVDKJMHYLDJ-UWVGGRQHSA-N 1 0 221.304 1.264 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCC[C@H]1O ZINC000639956225 357979406 /nfs/dbraw/zinc/97/94/06/357979406.db2.gz ZMWDMTZCFNVYJC-AAVRWANBSA-N 1 0 241.375 1.773 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@H]1CCCc2ccccc21 ZINC000036878582 358055230 /nfs/dbraw/zinc/05/52/30/358055230.db2.gz SSSOAEDCPZGPII-OLZOCXBDSA-N 1 0 232.327 1.918 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(OC)c(O)c1 ZINC000037040841 358064415 /nfs/dbraw/zinc/06/44/15/358064415.db2.gz MHTHOIQYWZPSQH-VIFPVBQESA-N 1 0 238.287 1.467 10 0 BDAERO OCCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000171065532 134257015 /nfs/dbraw/zinc/25/70/15/134257015.db2.gz PHALJIIOMPROFK-UHFFFAOYSA-N 1 0 223.320 1.362 10 0 BDAERO Cl/C=C/CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171642451 134257632 /nfs/dbraw/zinc/25/76/32/134257632.db2.gz XZCOKHJPZFNQQD-XCRNYIDWSA-N 1 0 200.713 1.519 10 0 BDAERO CC(C)[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000172054759 134261398 /nfs/dbraw/zinc/26/13/98/134261398.db2.gz BBTHJOBPZAJSNN-FRRDWIJNSA-N 1 0 238.375 1.974 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000224005525 358231058 /nfs/dbraw/zinc/23/10/58/358231058.db2.gz YNGYCCQNPXVVRT-JHJVBQTASA-N 1 0 227.348 1.839 10 0 BDAERO [NH3+]C[C@@H]1CCCN1c1ccc(Cl)nn1 ZINC000082642076 491126259 /nfs/dbraw/zinc/12/62/59/491126259.db2.gz GUDIXBXVEAYPCF-ZETCQYMHSA-N 1 0 212.684 1.058 10 0 BDAERO C[N@@H+]1CCC[C@H]1c1cncc(OCCO)c1 ZINC000584603162 358261462 /nfs/dbraw/zinc/26/14/62/358261462.db2.gz QCVBGOPCWHNYEJ-LBPRGKRZSA-N 1 0 222.288 1.219 10 0 BDAERO C[C@@H](O)CCCCCC[NH+]1CCOCC1 ZINC000584605764 358264384 /nfs/dbraw/zinc/26/43/84/358264384.db2.gz RGVLKNLQYYGHLC-GFCCVEGCSA-N 1 0 215.337 1.650 10 0 BDAERO CO[C@@]1(c2ccccc2)O[C@@]12CCC[N@H+](C)C2 ZINC000584620604 358287342 /nfs/dbraw/zinc/28/73/42/358287342.db2.gz XNRQHTPAMDCAEW-KGLIPLIRSA-N 1 0 233.311 1.980 10 0 BDAERO C[C@]1(CO)CC[C@@H](CO)[N@@H+]1Cc1ccccc1 ZINC000584623847 358291707 /nfs/dbraw/zinc/29/17/07/358291707.db2.gz UXAYHLAZJUKETH-UONOGXRCSA-N 1 0 235.327 1.394 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H](F)CC[C@@H]1[NH3+] ZINC000584647538 358302151 /nfs/dbraw/zinc/30/21/51/358302151.db2.gz MYFNGZHNOMAUOP-HRDYMLBCSA-N 1 0 232.299 1.729 10 0 BDAERO FC1(F)CCN(c2cnn3c2C[NH2+]CC3)CC1 ZINC000584648816 358303484 /nfs/dbraw/zinc/30/34/84/358303484.db2.gz TYVJXXYZROEIFR-UHFFFAOYSA-N 1 0 242.273 1.222 10 0 BDAERO NC(=O)c1ccc(COC2CC[NH2+]CC2)cc1 ZINC000036963159 181296272 /nfs/dbraw/zinc/29/62/72/181296272.db2.gz NNJNJJSOFVHMDK-UHFFFAOYSA-N 1 0 234.299 1.054 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1[C@H]([NH3+])CCC[C@H]1F ZINC000584647260 358332298 /nfs/dbraw/zinc/33/22/98/358332298.db2.gz JTZLQPKVXKRTCI-HLTSFMKQSA-N 1 0 232.299 1.729 10 0 BDAERO C[C@H]1[N@H+](C)CC[C@@]1(O)Cc1ccccc1 ZINC000584635244 358319246 /nfs/dbraw/zinc/31/92/46/358319246.db2.gz NREIXLFVQOHUDO-DGCLKSJQSA-N 1 0 205.301 1.684 10 0 BDAERO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226094673 358334083 /nfs/dbraw/zinc/33/40/83/358334083.db2.gz TYSSISJHVUDQRW-QJPTWQEYSA-N 1 0 229.364 1.677 10 0 BDAERO COc1ccc2c(c1)CC[C@@H]([NH3+])C[C@@H]2O ZINC000584640162 358326166 /nfs/dbraw/zinc/32/61/66/358326166.db2.gz KOWXACQIVDGRDV-SKDRFNHKSA-N 1 0 207.273 1.392 10 0 BDAERO COc1cc[n+](NC(=O)c2ccccc2)cc1 ZINC000584642735 358327956 /nfs/dbraw/zinc/32/79/56/358327956.db2.gz SVNSERLCQOVLOD-UHFFFAOYSA-O 1 0 229.259 1.367 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000226231240 358336178 /nfs/dbraw/zinc/33/61/78/358336178.db2.gz CAGYQNVTAUNZGQ-FVCCEPFGSA-N 1 0 227.348 1.431 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000226234322 358336520 /nfs/dbraw/zinc/33/65/20/358336520.db2.gz YHNXDQQFNBHQCP-GMTAPVOTSA-N 1 0 215.362 1.775 10 0 BDAERO CN(C(=O)[C@@H]1CC=CCC1)[C@H]1CCC[NH2+]CC1 ZINC000226458269 358339785 /nfs/dbraw/zinc/33/97/85/358339785.db2.gz AZNYFTHNLYPSCD-OLZOCXBDSA-N 1 0 236.359 1.943 10 0 BDAERO CCN(CC)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226459657 358340287 /nfs/dbraw/zinc/34/02/87/358340287.db2.gz UTMJJCYWFBNKBA-LLVKDONJSA-N 1 0 227.352 1.522 10 0 BDAERO CCN(C)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226459723 358340337 /nfs/dbraw/zinc/34/03/37/358340337.db2.gz CHAIOGHVSHWLSR-JTQLQIEISA-N 1 0 213.325 1.132 10 0 BDAERO C[C@@H]1[C@H](C)SCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000226675784 358342358 /nfs/dbraw/zinc/34/23/58/358342358.db2.gz GVDNAGRYCUUWCE-JFGNBEQYSA-N 1 0 242.388 1.481 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000226679816 358342388 /nfs/dbraw/zinc/34/23/88/358342388.db2.gz GUELJAYSQLZCBR-GUBZILKMSA-N 1 0 230.377 1.466 10 0 BDAERO CN(CCC[NH3+])c1ncccc1Br ZINC000042375901 358347378 /nfs/dbraw/zinc/34/73/78/358347378.db2.gz LYCCDNUPFBRPDZ-UHFFFAOYSA-N 1 0 244.136 1.629 10 0 BDAERO Cc1occc1CN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000042449854 358349095 /nfs/dbraw/zinc/34/90/95/358349095.db2.gz PMIDCNVLJUZQNN-NSHDSACASA-N 1 0 236.315 1.546 10 0 BDAERO C[NH2+][C@@H]1CCN([C@H]2CCCSC2)C1 ZINC000252686630 366431119 /nfs/dbraw/zinc/43/11/19/366431119.db2.gz JZLYMSUJPFJOQW-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@H]([NH3+])C[C@H](C)Nc1ccc2nccnc2n1 ZINC000228267290 358372020 /nfs/dbraw/zinc/37/20/20/358372020.db2.gz XBYZBZNJMMHYJO-IUCAKERBSA-N 1 0 231.303 1.563 10 0 BDAERO CSCCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000229266303 358373106 /nfs/dbraw/zinc/37/31/06/358373106.db2.gz VDMOGOMOCZXUSS-LLVKDONJSA-N 1 0 244.404 1.636 10 0 BDAERO C[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000227722805 358362369 /nfs/dbraw/zinc/36/23/69/358362369.db2.gz GEZOEYSPFGKSMJ-HBNTYKKESA-N 1 0 201.310 1.041 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@H](C)S1 ZINC000227796224 358363405 /nfs/dbraw/zinc/36/34/05/358363405.db2.gz CXDNYJFXMSCDSR-LMLFDSFASA-N 1 0 242.388 1.466 10 0 BDAERO CSC1(C[NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000388904164 363609666 /nfs/dbraw/zinc/60/96/66/363609666.db2.gz NYUIXRAMSCXIIO-ZJUUUORDSA-N 1 0 215.362 1.775 10 0 BDAERO CSC1(C[NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000388904161 363608330 /nfs/dbraw/zinc/60/83/30/363608330.db2.gz NYUIXRAMSCXIIO-VHSXEESVSA-N 1 0 215.362 1.775 10 0 BDAERO C[C@H]([C@@H](O)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000044116393 358403875 /nfs/dbraw/zinc/40/38/75/358403875.db2.gz ABRRXYGIIRNEFU-TZMCWYRMSA-N 1 0 234.343 1.356 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000399502149 358450599 /nfs/dbraw/zinc/45/05/99/358450599.db2.gz JARPNCURCBNAGW-VHSXEESVSA-N 1 0 214.353 1.735 10 0 BDAERO [NH3+]C[C@@H](CO)Nc1cccc(Br)c1 ZINC000130138330 358435059 /nfs/dbraw/zinc/43/50/59/358435059.db2.gz ZKVKLTOVXAGHQQ-VIFPVBQESA-N 1 0 245.120 1.181 10 0 BDAERO [NH3+][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000044232892 358547479 /nfs/dbraw/zinc/54/74/79/358547479.db2.gz GXJHQFQPGIMRQW-SECBINFHSA-N 1 0 235.205 1.967 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1nccn2c(C)nnc12 ZINC000130561925 358631649 /nfs/dbraw/zinc/63/16/49/358631649.db2.gz WVMCUHPZSVEIAX-SNVBAGLBSA-N 1 0 248.334 1.362 10 0 BDAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCOc2ccccc21 ZINC000130674447 358639969 /nfs/dbraw/zinc/63/99/69/358639969.db2.gz QIVJYTOGDLHIFJ-MWLCHTKSSA-N 1 0 234.299 1.364 10 0 BDAERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(C)C ZINC000129446057 358586646 /nfs/dbraw/zinc/58/66/46/358586646.db2.gz JBHXVYOHSYEBFS-WDEREUQCSA-N 1 0 222.336 1.617 10 0 BDAERO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(N)=S)C1 ZINC000300238945 358590809 /nfs/dbraw/zinc/59/08/09/358590809.db2.gz VXEHDFANERQNEM-SCZZXKLOSA-N 1 0 216.350 1.162 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000130978938 358655524 /nfs/dbraw/zinc/65/55/24/358655524.db2.gz MNAWXINELOOEMW-GFCCVEGCSA-N 1 0 244.294 1.801 10 0 BDAERO O=C1C(C[NH2+]C2CC2)=CC2=CC=C[C@H]3CCN1[C@@H]23 ZINC000039287479 358703293 /nfs/dbraw/zinc/70/32/93/358703293.db2.gz YQIGDEWJVXUFIJ-IINYFYTJSA-N 1 0 242.322 1.392 10 0 BDAERO O=C1C(C[NH2+]C2CC2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287480 358704484 /nfs/dbraw/zinc/70/44/84/358704484.db2.gz YQIGDEWJVXUFIJ-QMTHXVAHSA-N 1 0 242.322 1.392 10 0 BDAERO COCC[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000039287284 358707047 /nfs/dbraw/zinc/70/70/47/358707047.db2.gz MDUSNMRAYAAXMU-UHFFFAOYSA-N 1 0 246.310 1.275 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C1 ZINC000175979075 134289908 /nfs/dbraw/zinc/28/99/08/134289908.db2.gz BFDIQXHPLRQFGA-IJLUTSLNSA-N 1 0 222.332 1.195 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cccn2C)C1 ZINC000050596127 358734402 /nfs/dbraw/zinc/73/44/02/358734402.db2.gz LLRLMDKZFDEQTA-LBPRGKRZSA-N 1 0 221.348 1.599 10 0 BDAERO OCCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051020068 358742680 /nfs/dbraw/zinc/74/26/80/358742680.db2.gz XYAYWGRPDLVLKV-QWHCGFSZSA-N 1 0 227.348 1.792 10 0 BDAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134541963 358794294 /nfs/dbraw/zinc/79/42/94/358794294.db2.gz YCCCMFUYRUJDNU-HBNTYKKESA-N 1 0 228.336 1.058 10 0 BDAERO O=C([C@@H]1C[C@@H]1C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176926850 134294768 /nfs/dbraw/zinc/29/47/68/134294768.db2.gz IHOIBCKRVIBQSQ-MGPQQGTHSA-N 1 0 248.370 1.729 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CCOC1 ZINC000132631186 491137428 /nfs/dbraw/zinc/13/74/28/491137428.db2.gz KXCFNIFWTPZUNZ-YFKTTZPYSA-N 1 0 213.321 1.305 10 0 BDAERO CCCC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177249949 134296473 /nfs/dbraw/zinc/29/64/73/134296473.db2.gz KSBGLALISZWSIJ-QWHCGFSZSA-N 1 0 226.364 1.439 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H](C)CN1C/C=C/Cl ZINC000300343366 358967633 /nfs/dbraw/zinc/96/76/33/358967633.db2.gz LSWLLWDTATUJNE-AETUYUCGSA-N 1 0 202.729 1.811 10 0 BDAERO C[C@H](CC(F)(F)F)N1CC[NH2+]C[C@H]1C ZINC000300359684 358970892 /nfs/dbraw/zinc/97/08/92/358970892.db2.gz QMAIBWDKZZPONK-HTQZYQBOSA-N 1 0 210.243 1.621 10 0 BDAERO CCN(C1C[NH2+]C1)[C@H]1CCS[C@H]1C ZINC000300352574 358972062 /nfs/dbraw/zinc/97/20/62/358972062.db2.gz NANNULCTPMPNDW-WPRPVWTQSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1nsc([C@@]2(C[NH3+])CC[C@H](C)C2)n1 ZINC000306153497 358921334 /nfs/dbraw/zinc/92/13/34/358921334.db2.gz ATTWWLWSBLVGSW-XVKPBYJWSA-N 1 0 211.334 1.863 10 0 BDAERO Cc1cc(N[C@H](C[NH3+])CC(C)C)n2ncnc2n1 ZINC000070073897 359040419 /nfs/dbraw/zinc/04/04/19/359040419.db2.gz NLTNTKBLYAKKIM-JTQLQIEISA-N 1 0 248.334 1.218 10 0 BDAERO C[C@H]1C[C@@H](NN)C[N@@H+]1Cc1ccccc1 ZINC000306181279 358996717 /nfs/dbraw/zinc/99/67/17/358996717.db2.gz OJLGCOISBQWZLZ-CMPLNLGQSA-N 1 0 205.305 1.113 10 0 BDAERO C[C@@H]1[NH2+]CCc2c1ncn2-c1ccccn1 ZINC000225988170 359006495 /nfs/dbraw/zinc/00/64/95/359006495.db2.gz UJMCWUPLZDJBSO-VIFPVBQESA-N 1 0 214.272 1.474 10 0 BDAERO O=C([C@@H]1C[C@H]1C1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246447287 359092526 /nfs/dbraw/zinc/09/25/26/359092526.db2.gz IHOIBCKRVIBQSQ-HZSPNIEDSA-N 1 0 248.370 1.729 10 0 BDAERO C[C@@H]1C[C@H](N[C@H]2CCCn3ncnc32)CC[N@@H+]1C ZINC000246992352 359181524 /nfs/dbraw/zinc/18/15/24/359181524.db2.gz JKZCVQMKDAQTMS-UTUOFQBUSA-N 1 0 249.362 1.185 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc[nH]1 ZINC000247016333 359183939 /nfs/dbraw/zinc/18/39/39/359183939.db2.gz RXOWFBSSNZHHFL-RYUDHWBXSA-N 1 0 247.342 1.714 10 0 BDAERO C(CN1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCO1 ZINC000246563676 359146399 /nfs/dbraw/zinc/14/63/99/359146399.db2.gz RXLSQMBBGOBWIG-CHWSQXEVSA-N 1 0 224.348 1.336 10 0 BDAERO C[C@@H]1COC[C@@H](C)N1CC[C@H]1CCC[N@@H+]1C ZINC000246747062 359161851 /nfs/dbraw/zinc/16/18/51/359161851.db2.gz HNZMBZMJZLAVPZ-JHJVBQTASA-N 1 0 226.364 1.580 10 0 BDAERO CCO[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247516344 359229999 /nfs/dbraw/zinc/22/99/99/359229999.db2.gz WHZNGZKMLKIIOH-IJLUTSLNSA-N 1 0 240.347 1.107 10 0 BDAERO C[C@H](CCCCO)[NH2+]CC[C@@H]1CCCO1 ZINC000308876893 491139390 /nfs/dbraw/zinc/13/93/90/491139390.db2.gz SLXCLOOBFABVDH-NEPJUHHUSA-N 1 0 215.337 1.696 10 0 BDAERO CN1CCSC[C@H]1[C@H]([NH3+])c1ccsn1 ZINC000306200982 359290524 /nfs/dbraw/zinc/29/05/24/359290524.db2.gz KGLGWLRIRLXQGI-DTWKUNHWSA-N 1 0 229.374 1.190 10 0 BDAERO [NH3+][C@H]1C=C(Cc2csnn2)CCCC1 ZINC000306213132 359306267 /nfs/dbraw/zinc/30/62/67/359306267.db2.gz WVMBXQSRQVLVBT-SECBINFHSA-N 1 0 209.318 1.908 10 0 BDAERO Cc1cc(C[NH3+])cc(NC(=O)C(F)(F)F)c1 ZINC000306212469 359307135 /nfs/dbraw/zinc/30/71/35/359307135.db2.gz VUQRIAUWMNZDJT-UHFFFAOYSA-N 1 0 232.205 1.955 10 0 BDAERO CC(C)n1nnnc1CN1CC[C@@H](C)[C@@H]1C ZINC000248325825 359262358 /nfs/dbraw/zinc/26/23/58/359262358.db2.gz BMENOIFBFBVCKK-ZJUUUORDSA-N 1 0 223.324 1.484 10 0 BDAERO C[C@H]1CSC[C@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000306229950 359364201 /nfs/dbraw/zinc/36/42/01/359364201.db2.gz KHFQOBTXQCZNFE-VHSXEESVSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@H](C[NH3+])[C@H](F)c1cc(Cl)cnc1N ZINC000306230538 359365282 /nfs/dbraw/zinc/36/52/82/359365282.db2.gz ZORWYZGKUJYGEL-XRGYYRRGSA-N 1 0 217.675 1.923 10 0 BDAERO C[C@@H]([NH3+])CCN1CC(F)(F)C(F)(F)C1 ZINC000306216129 359322481 /nfs/dbraw/zinc/32/24/81/359322481.db2.gz BNUILIRNZVDMOY-ZCFIWIBFSA-N 1 0 214.206 1.310 10 0 BDAERO CC1(C)C[S@@](=O)C[C@H](C2CCC2)[NH2+]1 ZINC000306216525 359330202 /nfs/dbraw/zinc/33/02/02/359330202.db2.gz CALAVBQYVJWTMI-RNCFNFMXSA-N 1 0 201.335 1.286 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000623764344 359340675 /nfs/dbraw/zinc/34/06/75/359340675.db2.gz CPACKVQGMVEYRA-RYUDHWBXSA-N 1 0 243.253 1.204 10 0 BDAERO CC(C)(C[NH3+])c1ncc2ccsc2n1 ZINC000306224737 359349593 /nfs/dbraw/zinc/34/95/93/359349593.db2.gz KYTUSLSATRAWEH-UHFFFAOYSA-N 1 0 207.302 1.928 10 0 BDAERO C[C@@H]1C[NH2+][C@H](C2CCC2)[C@@H](C)[S@@]1=O ZINC000306274128 359505658 /nfs/dbraw/zinc/50/56/58/359505658.db2.gz JYWVGBDELJXWJM-WKRBSTNYSA-N 1 0 201.335 1.284 10 0 BDAERO C[C@H]([NH3+])[C@H](C)c1nc(C(F)(F)F)no1 ZINC000130323917 359517528 /nfs/dbraw/zinc/51/75/28/359517528.db2.gz VXSDINAPSOBBQJ-IMJSIDKUSA-N 1 0 209.171 1.539 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1cc(Cl)ccn1 ZINC000574987792 359522924 /nfs/dbraw/zinc/52/29/24/359522924.db2.gz RRJTXAOGUUUQLH-SSDOTTSWSA-N 1 0 227.695 1.202 10 0 BDAERO CC[C@]1([C@@H]2CCOC2)[NH2+][C@H](C)CS1 ZINC000306295971 359537963 /nfs/dbraw/zinc/53/79/63/359537963.db2.gz BTFJHXRKQHVYJY-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO CCNc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000086880590 359582353 /nfs/dbraw/zinc/58/23/53/359582353.db2.gz VZCYJVRKMOBQNC-UHFFFAOYSA-N 1 0 219.210 1.991 10 0 BDAERO [NH3+]CC[C@@H](O)c1occc1Br ZINC000130339259 359586134 /nfs/dbraw/zinc/58/61/34/359586134.db2.gz JBLVXXAGGYHBNR-ZCFIWIBFSA-N 1 0 220.066 1.424 10 0 BDAERO C[C@H]([NH3+])c1cncn1[C@H]1CCS[C@H]1C ZINC000306329167 359609705 /nfs/dbraw/zinc/60/97/05/359609705.db2.gz OEIWVGNKERQEAU-CIUDSAMLSA-N 1 0 211.334 1.969 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1F ZINC000623764575 359621960 /nfs/dbraw/zinc/62/19/60/359621960.db2.gz GSLKMSHVVJRMIE-NEPJUHHUSA-N 1 0 225.263 1.065 10 0 BDAERO OC1CC(C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224439876 359683469 /nfs/dbraw/zinc/68/34/69/359683469.db2.gz HQNQUERGNWISAD-IDKOKCKLSA-N 1 0 201.335 1.100 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2cnccn2)C1 ZINC000309036919 491143067 /nfs/dbraw/zinc/14/30/67/491143067.db2.gz IQTUWOWTEAOWCX-VHSXEESVSA-N 1 0 206.293 1.229 10 0 BDAERO C[NH2+]Cc1cnc(-c2ccncn2)s1 ZINC000069638316 359688724 /nfs/dbraw/zinc/68/87/24/359688724.db2.gz BESNXTQZFCEJOX-UHFFFAOYSA-N 1 0 206.274 1.320 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@@](=O)CCC[NH2+]1 ZINC000306407531 359791412 /nfs/dbraw/zinc/79/14/12/359791412.db2.gz GKHDFHBLTBZBES-ZANVPECISA-N 1 0 203.351 1.533 10 0 BDAERO CC(=[NH2+])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000306416168 359825126 /nfs/dbraw/zinc/82/51/26/359825126.db2.gz QMSJYPDNODVAMN-ZDUSSCGKSA-N 1 0 217.316 1.848 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000088491219 359963655 /nfs/dbraw/zinc/96/36/55/359963655.db2.gz ODHSIEOCVKFXKJ-WDEREUQCSA-N 1 0 212.337 1.585 10 0 BDAERO CC(C)N(c1n[nH]c([C@@H](C)[NH3+])n1)C(C)C ZINC000536956853 360007647 /nfs/dbraw/zinc/00/76/47/360007647.db2.gz BIHUVXSKIRPDMC-MRVPVSSYSA-N 1 0 211.313 1.448 10 0 BDAERO CCC[N@H+](CCO)C[C@@H]1Cc2ccccc2O1 ZINC000090876814 360092854 /nfs/dbraw/zinc/09/28/54/360092854.db2.gz QEKYHZOYAUXQIE-ZDUSSCGKSA-N 1 0 235.327 1.694 10 0 BDAERO [NH3+]Cc1cc(C(=O)c2ccc[nH]2)ccn1 ZINC000306463628 360068982 /nfs/dbraw/zinc/06/89/82/360068982.db2.gz IIZSGQJPMGIUIS-UHFFFAOYSA-N 1 0 201.229 1.099 10 0 BDAERO CC(C)[C@@H]1CN([C@H](C)C[NH3+])CCCO1 ZINC000306469164 360084300 /nfs/dbraw/zinc/08/43/00/360084300.db2.gz OXYZFDSZLTTWGM-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO COC1CN(C[C@@H]2CCC(C)(C)C2=O)C1 ZINC000306477076 360110853 /nfs/dbraw/zinc/11/08/53/360110853.db2.gz YXBTWBVWRDTQTA-VIFPVBQESA-N 1 0 211.305 1.322 10 0 BDAERO Cc1n[nH]cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092811028 360201418 /nfs/dbraw/zinc/20/14/18/360201418.db2.gz MYCAGVOEFYPKBX-UHFFFAOYSA-N 1 0 245.330 1.821 10 0 BDAERO C[C@H]1SCC[C@@H]1NC1=[NH+]CCS1 ZINC000306494162 360216841 /nfs/dbraw/zinc/21/68/41/360216841.db2.gz WZASXRTYUWBKRW-RQJHMYQMSA-N 1 0 202.348 1.573 10 0 BDAERO C[C@@H](CC[NH3+])Nc1cncc(Cl)n1 ZINC000306496076 360223457 /nfs/dbraw/zinc/22/34/57/360223457.db2.gz WTFKMUCRZJREHY-LURJTMIESA-N 1 0 200.673 1.279 10 0 BDAERO CCOCC[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000093312814 360228129 /nfs/dbraw/zinc/22/81/29/360228129.db2.gz KNLHVNUZFHTBCA-LLVKDONJSA-N 1 0 233.352 1.131 10 0 BDAERO c1ccc2c(c1)CCN2CCCN[C@@H]1CC[NH2+]C1 ZINC000094075641 360295423 /nfs/dbraw/zinc/29/54/23/360295423.db2.gz FEMUWDVXGVTFKZ-CQSZACIVSA-N 1 0 245.370 1.391 10 0 BDAERO CN(CC(F)F)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000122460094 360260859 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/nfs/dbraw/zinc/39/13/16/360391316.db2.gz BNIQTUADBIKWET-SCZZXKLOSA-N 1 0 212.318 1.627 10 0 BDAERO [NH3+]C1(Cc2ncccc2Br)CC1 ZINC000306533616 360394884 /nfs/dbraw/zinc/39/48/84/360394884.db2.gz NMYMEYXPHCBTQN-UHFFFAOYSA-N 1 0 227.105 1.878 10 0 BDAERO CC[C@H]1SCCS[C@@H]1C1=[NH+]CCN1 ZINC000306534728 360397065 /nfs/dbraw/zinc/39/70/65/360397065.db2.gz OUQKQFANSXLNEK-SFYZADRCSA-N 1 0 216.375 1.615 10 0 BDAERO [NH3+]C[C@@]1(c2ncns2)CCCS1 ZINC000306522159 360358567 /nfs/dbraw/zinc/35/85/67/360358567.db2.gz GZFVQPNHJWRYPX-SSDOTTSWSA-N 1 0 201.320 1.219 10 0 BDAERO C[C@H]1C[C@@H](N2C(=O)c3ccccc3C2=O)C[NH2+]1 ZINC000306565425 360445988 /nfs/dbraw/zinc/44/59/88/360445988.db2.gz FKISWIBUHKPVHB-DTWKUNHWSA-N 1 0 230.267 1.033 10 0 BDAERO C[C@H]1CSCCN1[C@@H](C[NH3+])C(C)(C)C ZINC000069760653 360408051 /nfs/dbraw/zinc/40/80/51/360408051.db2.gz SHDAUNMXFQXAGO-UWVGGRQHSA-N 1 0 216.394 1.797 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CCSC[C@H]1C ZINC000069760944 360408991 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/nfs/dbraw/zinc/74/80/70/360748070.db2.gz MAWIVJCQOXRADF-LOWVWBTDSA-N 1 0 229.364 1.534 10 0 BDAERO COC(=O)c1ccc([C@H]2C[NH2+][C@H](C)C2)cc1 ZINC000238402790 360995566 /nfs/dbraw/zinc/99/55/66/360995566.db2.gz GKBMCAXVTZGHQZ-BXKDBHETSA-N 1 0 219.284 1.939 10 0 BDAERO COc1ncc(C[NH3+])cc1OC(F)(F)F ZINC000238411355 361009422 /nfs/dbraw/zinc/00/94/22/361009422.db2.gz XBGZGKZTKGEOAV-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1C[C@@H](C)S[C@H](C)C1 ZINC000069910069 361016909 /nfs/dbraw/zinc/01/69/09/361016909.db2.gz IIPXAMNNZDPWTK-MXWKQRLJSA-N 1 0 216.394 1.796 10 0 BDAERO OCC1=CCC[N@H+](Cc2ccccc2)C1 ZINC000138679413 361087759 /nfs/dbraw/zinc/08/77/59/361087759.db2.gz WQSRPZIWHIFWKK-UHFFFAOYSA-N 1 0 203.285 1.811 10 0 BDAERO Cc1cnc(C[NH3+])c(OC(F)(F)F)c1 ZINC000238520609 361135096 /nfs/dbraw/zinc/13/50/96/361135096.db2.gz ANLFRRLRRVRRRR-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO C[C@](O)(C[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000306618470 361194780 /nfs/dbraw/zinc/19/47/80/361194780.db2.gz SONHCKFWIRAWKT-SFYZADRCSA-N 1 0 211.227 1.689 10 0 BDAERO CC[C@H]([NH3+])C(=O)N1CCSCC[C@@H]1C ZINC000306626693 361290324 /nfs/dbraw/zinc/29/03/24/361290324.db2.gz IAOLCHPPFHEXKT-IUCAKERBSA-N 1 0 216.350 1.078 10 0 BDAERO C[C@@H]1OCCN(C(=[NH2+])NCc2ccccc2)[C@H]1C ZINC000306623381 361269238 /nfs/dbraw/zinc/26/92/38/361269238.db2.gz BLLQJPBLOYDJBN-RYUDHWBXSA-N 1 0 247.342 1.820 10 0 BDAERO CC(C)[C@@H](Cn1cccn1)[NH2+]CC1CC(O)C1 ZINC000379713706 361348077 /nfs/dbraw/zinc/34/80/77/361348077.db2.gz HDGHEQDGVWRGGV-WXRRBKDZSA-N 1 0 237.347 1.268 10 0 BDAERO CC[C@@H](O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162580614 361356265 /nfs/dbraw/zinc/35/62/65/361356265.db2.gz GBRGSAQRIMUIJG-KXNHARMFSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@@H]1CN(CC2(C)C[NH2+]C2)CCS1 ZINC000306631867 361363205 /nfs/dbraw/zinc/36/32/05/361363205.db2.gz DSDCMYSPNIAGPK-SECBINFHSA-N 1 0 200.351 1.033 10 0 BDAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000309813472 491157074 /nfs/dbraw/zinc/15/70/74/491157074.db2.gz UTSHNKRRTPXIKR-QWRGUYRKSA-N 1 0 219.332 1.976 10 0 BDAERO [NH3+][C@H]1CCCN(Cc2cccs2)C1=O ZINC000070062230 361392710 /nfs/dbraw/zinc/39/27/10/361392710.db2.gz CLGFTLIGXGUMPN-VIFPVBQESA-N 1 0 210.302 1.198 10 0 BDAERO [NH3+]C1(CNc2ccc3c(n2)CCCC3=O)CCC1 ZINC000333123425 181331465 /nfs/dbraw/zinc/33/14/65/181331465.db2.gz AACBVXKKQDMQNH-UHFFFAOYSA-N 1 0 245.326 1.316 10 0 BDAERO COC1(C[C@@H](C)[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC000429407850 201106598 /nfs/dbraw/zinc/10/65/98/201106598.db2.gz KPVIOKHUABBVRV-GHMZBOCLSA-N 1 0 240.347 1.202 10 0 BDAERO [NH3+]C1(c2nnc3n2CCCC3)CCCCC1 ZINC000083305257 181336678 /nfs/dbraw/zinc/33/66/78/181336678.db2.gz AQVGDGNRUFHIPQ-UHFFFAOYSA-N 1 0 220.320 1.733 10 0 BDAERO CCN(Cc1ccoc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000629599900 361490824 /nfs/dbraw/zinc/49/08/24/361490824.db2.gz OEFDHQXSYBJTSV-VXGBXAGGSA-N 1 0 236.315 1.756 10 0 BDAERO [NH3+]C1(c2noc(C(F)(F)F)n2)CCOCC1 ZINC000036305052 181337040 /nfs/dbraw/zinc/33/70/40/181337040.db2.gz UPGNXQXAOCNEES-UHFFFAOYSA-N 1 0 237.181 1.053 10 0 BDAERO [NH2+]=C1N[C@@H](C2CCC2)Nc2ccccc21 ZINC000013493531 181339155 /nfs/dbraw/zinc/33/91/55/181339155.db2.gz YQSLFNIIJBAELO-LBPRGKRZSA-N 1 0 201.273 1.944 10 0 BDAERO CC(C)OCCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000448549015 201216216 /nfs/dbraw/zinc/21/62/16/201216216.db2.gz ANZWCGKNVJJJPD-NWDGAFQWSA-N 1 0 215.337 1.647 10 0 BDAERO [NH3+]C1CC(NC(=O)Nc2ccc(Cl)cc2)C1 ZINC000036263515 181340041 /nfs/dbraw/zinc/34/00/41/181340041.db2.gz SAKPKPVOBAHVQA-UHFFFAOYSA-N 1 0 239.706 1.951 10 0 BDAERO C[NH2+][C@H]1CCN(C(=O)OC)c2ccccc21 ZINC000070601230 361583687 /nfs/dbraw/zinc/58/36/87/361583687.db2.gz QZFUNYFKQBGXTC-JTQLQIEISA-N 1 0 220.272 1.924 10 0 BDAERO Cc1cc(N2CC[NH2+]CC2)ccc1C=O ZINC000070609487 361615281 /nfs/dbraw/zinc/61/52/81/361615281.db2.gz RLLTYTHKXAWUMO-UHFFFAOYSA-N 1 0 204.273 1.217 10 0 BDAERO [NH3+]C1CC(NC(=O)c2ccc(F)cc2)C1 ZINC000036237264 181340674 /nfs/dbraw/zinc/34/06/74/181340674.db2.gz XWYFFHSOBKPNPR-UHFFFAOYSA-N 1 0 208.236 1.045 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000310039923 491159854 /nfs/dbraw/zinc/15/98/54/491159854.db2.gz XKTHDXRSSOPEKG-ZYHUDNBSSA-N 1 0 222.336 1.874 10 0 BDAERO [NH3+]C1CCC(CC(=O)NC[C@H]2CCOC2)CC1 ZINC000061148893 181341189 /nfs/dbraw/zinc/34/11/89/181341189.db2.gz SAVFAAXQYGYCHW-MOENNCHZSA-N 1 0 240.347 1.047 10 0 BDAERO [NH3+]C1CCC(C(=O)OC2CCCC2)CC1 ZINC000048632291 181341699 /nfs/dbraw/zinc/34/16/99/181341699.db2.gz ZIFZPWXONVCQTD-UHFFFAOYSA-N 1 0 211.305 1.990 10 0 BDAERO [NH3+]C1CCC(Nc2nccc(Cl)n2)CC1 ZINC000095072123 181342271 /nfs/dbraw/zinc/34/22/71/181342271.db2.gz MEURMXYDCJAXGD-UHFFFAOYSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+]C1CCN(C(=O)N2CCCCCC2)CC1 ZINC000058827475 181343530 /nfs/dbraw/zinc/34/35/30/181343530.db2.gz IETZCSDIUUGMHP-UHFFFAOYSA-N 1 0 225.336 1.406 10 0 BDAERO COCCn1ccc2c1cccc2C[NH3+] ZINC000070631089 361683849 /nfs/dbraw/zinc/68/38/49/361683849.db2.gz TVOTULIMRBISHS-UHFFFAOYSA-N 1 0 204.273 1.746 10 0 BDAERO [NH3+]C1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000055142794 181342855 /nfs/dbraw/zinc/34/28/55/181342855.db2.gz HZOSGMNQKMIPLM-MCIGGMRASA-N 1 0 213.321 1.842 10 0 BDAERO [NH3+]C1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000036754399 181344461 /nfs/dbraw/zinc/34/44/61/181344461.db2.gz YDVFBVTYOJECMP-LBPRGKRZSA-N 1 0 248.326 1.250 10 0 BDAERO [NH3+]C1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000038137007 181344583 /nfs/dbraw/zinc/34/45/83/181344583.db2.gz KKBUYSGZDGOTHZ-UHFFFAOYSA-N 1 0 246.376 1.072 10 0 BDAERO C[NH2+]Cc1csc(N2CCSCC2)n1 ZINC000070681823 361715108 /nfs/dbraw/zinc/71/51/08/361715108.db2.gz IFPXBQNGFNOSNZ-UHFFFAOYSA-N 1 0 229.374 1.416 10 0 BDAERO C[C@@H](C(=O)C1CCC1)[C@H]1COC[C@@H](C)[NH2+]1 ZINC000306338215 541312969 /nfs/dbraw/zinc/31/29/69/541312969.db2.gz XNMUBAXALICFFV-FXPVBKGRSA-N 1 0 211.305 1.369 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359392 364078794 /nfs/dbraw/zinc/07/87/94/364078794.db2.gz CTJSPKXEPPLGQS-TUAOUCFPSA-N 1 0 214.353 1.471 10 0 BDAERO CCCCCC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630363818 364079886 /nfs/dbraw/zinc/07/98/86/364079886.db2.gz RWRIZNRCQFPZTD-AAEUAGOBSA-N 1 0 242.363 1.531 10 0 BDAERO [NH3+]CC(=O)Nc1cccc(-c2nccs2)c1 ZINC000037767631 181355165 /nfs/dbraw/zinc/35/51/65/181355165.db2.gz KTNNAHBXGWPUMO-UHFFFAOYSA-N 1 0 233.296 1.707 10 0 BDAERO CCCNC(=O)NC[C@H]([NH3+])[C@@H](C)CC ZINC000725254961 541331914 /nfs/dbraw/zinc/33/19/14/541331914.db2.gz LPNWNISNLDXWEC-IUCAKERBSA-N 1 0 201.314 1.069 10 0 BDAERO CCNC(=O)[C@H]([NH3+])Cc1coc2ccccc12 ZINC000725263427 541336661 /nfs/dbraw/zinc/33/66/61/541336661.db2.gz FOXUBAYVDCOEOA-LLVKDONJSA-N 1 0 232.283 1.439 10 0 BDAERO CNC(=O)C[C@@H](C[NH3+])c1ccc(COC)cc1 ZINC000725263658 541337142 /nfs/dbraw/zinc/33/71/42/541337142.db2.gz YVZZMNFHEPSCIR-LBPRGKRZSA-N 1 0 236.315 1.011 10 0 BDAERO C[C@@H](c1cnn(CC2CCC2)c1)[N@H+](C)CCO ZINC000725264569 541337690 /nfs/dbraw/zinc/33/76/90/541337690.db2.gz XDDFZACGUFHNFP-NSHDSACASA-N 1 0 237.347 1.668 10 0 BDAERO Oc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1 ZINC000725268981 541338457 /nfs/dbraw/zinc/33/84/57/541338457.db2.gz AFUAIFHMSMSZFS-KBPBESRZSA-N 1 0 233.311 1.907 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CC([C@@H](C)[NH3+])C1 ZINC000725271271 541339553 /nfs/dbraw/zinc/33/95/53/541339553.db2.gz BBTDUHDOUUATLY-RKDXNWHRSA-N 1 0 213.325 1.020 10 0 BDAERO COc1cccnc1N1CCC(C)([NH3+])CC1 ZINC000630514208 364199895 /nfs/dbraw/zinc/19/98/95/364199895.db2.gz SPTPXDACIIYBAE-UHFFFAOYSA-N 1 0 221.304 1.408 10 0 BDAERO Cc1ccnc(NCC2([NH3+])CCOCC2)c1 ZINC000630527782 364214597 /nfs/dbraw/zinc/21/45/97/364214597.db2.gz VMDFJVGZBMIDSJ-UHFFFAOYSA-N 1 0 221.304 1.310 10 0 BDAERO Cc1cc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)ncn1 ZINC000630539846 364234769 /nfs/dbraw/zinc/23/47/69/364234769.db2.gz LLKKQVSJVJZANJ-BETUJISGSA-N 1 0 232.331 1.221 10 0 BDAERO CC(C)Oc1cncc(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000630544256 364238854 /nfs/dbraw/zinc/23/88/54/364238854.db2.gz GWXGETHCMHYEJJ-VHSXEESVSA-N 1 0 236.319 1.426 10 0 BDAERO NCC1([N@@H+]2C[C@H]3CC[C@@H]2C3)Cc2ccccc2C1 ZINC000049716015 181360567 /nfs/dbraw/zinc/36/05/67/181360567.db2.gz WJYCKMVUHUINFB-SWLSCSKDSA-N 1 0 242.366 1.967 10 0 BDAERO COc1cccnc1N1CCCCC[C@@H]([NH3+])C1 ZINC000630549479 364242572 /nfs/dbraw/zinc/24/25/72/364242572.db2.gz OAVDFPJLTRDICD-LLVKDONJSA-N 1 0 235.331 1.798 10 0 BDAERO [NH3+]CC1(C(=O)NC2CCC2)CCCCCC1 ZINC000052209292 181359292 /nfs/dbraw/zinc/35/92/92/181359292.db2.gz SMRAXBCGKMUNQC-UHFFFAOYSA-N 1 0 224.348 1.954 10 0 BDAERO Cc1cnc(N[C@H]2CC[C@H](C[NH3+])CC2)nc1 ZINC000630558489 364258844 /nfs/dbraw/zinc/25/88/44/364258844.db2.gz NCVRWZMTRXBCNK-XYPYZODXSA-N 1 0 220.320 1.714 10 0 BDAERO Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)nc(C)n1 ZINC000630565862 364263785 /nfs/dbraw/zinc/26/37/85/364263785.db2.gz AMAYVGVZRDKJBU-KWQFWETISA-N 1 0 220.320 1.124 10 0 BDAERO C[C@H]1CN(c2ncc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000630566775 364264971 /nfs/dbraw/zinc/26/49/71/364264971.db2.gz GIMLWZQEIJADLL-JGVFFNPUSA-N 1 0 243.713 1.905 10 0 BDAERO C[C@H]1CN(c2ccc(F)cn2)C[C@@H]1C[NH3+] ZINC000630572695 364266992 /nfs/dbraw/zinc/26/69/92/364266992.db2.gz RNVJXPVKZMKXHG-IUCAKERBSA-N 1 0 209.268 1.252 10 0 BDAERO CCc1nsc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630573551 364269648 /nfs/dbraw/zinc/26/96/48/364269648.db2.gz UUCARMPXIFMIMW-SFYZADRCSA-N 1 0 226.349 1.132 10 0 BDAERO Cc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)nc(C)n1 ZINC000630533342 364224978 /nfs/dbraw/zinc/22/49/78/364224978.db2.gz CDAJVRXHSPRHFR-KWQFWETISA-N 1 0 220.320 1.646 10 0 BDAERO C[C@H]1CC[C@@H](Nc2ccnc3cccnc32)C[NH2+]1 ZINC000630533481 364226221 /nfs/dbraw/zinc/22/62/21/364226221.db2.gz PPRCQNQQEPBNNJ-WDEREUQCSA-N 1 0 242.326 1.604 10 0 BDAERO C[C@@H]1CC[C@H](Nc2ccnc3cccnc32)C[NH2+]1 ZINC000630533479 364226423 /nfs/dbraw/zinc/22/64/23/364226423.db2.gz PPRCQNQQEPBNNJ-MNOVXSKESA-N 1 0 242.326 1.604 10 0 BDAERO C[C@H]1CC[C@@H](Nc2ncc(F)cn2)C[NH2+]1 ZINC000630534342 364228351 /nfs/dbraw/zinc/22/83/51/364228351.db2.gz WKVPOKKKJKLPKZ-IONNQARKSA-N 1 0 210.256 1.168 10 0 BDAERO CCc1nc(C)cc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630535251 364229719 /nfs/dbraw/zinc/22/97/19/364229719.db2.gz SLXMVFPVYIMEJG-KOLCDFICSA-N 1 0 234.347 1.322 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2nc3ccccc3[nH]2)C[NH2+]1 ZINC000630534851 364229825 /nfs/dbraw/zinc/22/98/25/364229825.db2.gz PUMFWWOVMRUDFU-NXEZZACHSA-N 1 0 230.315 1.537 10 0 BDAERO CCOc1cncc(N[C@H](C)CC[NH3+])n1 ZINC000134270380 364396681 /nfs/dbraw/zinc/39/66/81/364396681.db2.gz JCMXIGVSSCOTCE-MRVPVSSYSA-N 1 0 210.281 1.025 10 0 BDAERO [NH3+]CC1(c2ccc3c(c2)CCCC3)OCCO1 ZINC000049825462 181363128 /nfs/dbraw/zinc/36/31/28/181363128.db2.gz IBCHHTRUBRGRHB-UHFFFAOYSA-N 1 0 233.311 1.724 10 0 BDAERO [NH3+]CC1(c2nnc3n2CCC3)CCCCC1 ZINC000083305054 181363767 /nfs/dbraw/zinc/36/37/67/181363767.db2.gz IXENUIGVFVRAGT-UHFFFAOYSA-N 1 0 220.320 1.385 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000170855947 364531126 /nfs/dbraw/zinc/53/11/26/364531126.db2.gz RTPAIFPCJOCLMH-JTQLQIEISA-N 1 0 212.337 1.585 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170862118 364543207 /nfs/dbraw/zinc/54/32/07/364543207.db2.gz KKNRHLQRDQBJOQ-MNOVXSKESA-N 1 0 227.352 1.376 10 0 BDAERO C[C@@H]1C[NH2+]CCN1C1CCC(F)(F)CC1 ZINC000390286386 541371182 /nfs/dbraw/zinc/37/11/82/541371182.db2.gz NJZQVPWWZLLKEM-SECBINFHSA-N 1 0 218.291 1.858 10 0 BDAERO [NH3+]CCC(=O)Nc1cccc(Cl)c1F ZINC000020472613 181369010 /nfs/dbraw/zinc/36/90/10/181369010.db2.gz VJISUYKHTZDTLL-UHFFFAOYSA-N 1 0 216.643 1.766 10 0 BDAERO CCc1nc(CN(C)C(=O)[C@@H](C)[NH2+]C)cs1 ZINC000328239137 364819633 /nfs/dbraw/zinc/81/96/33/364819633.db2.gz QNIXTFUVKHJERD-MRVPVSSYSA-N 1 0 241.360 1.272 10 0 BDAERO C=Cn1cc(C[NH2+][C@H]2CCC[C@H](O)C2)cn1 ZINC000236544582 541393544 /nfs/dbraw/zinc/39/35/44/541393544.db2.gz RPWANCCCFPKXEE-RYUDHWBXSA-N 1 0 221.304 1.377 10 0 BDAERO [NH3+]CCCCCC(=O)NCc1ccc(O)cc1 ZINC000083363597 181373641 /nfs/dbraw/zinc/37/36/41/181373641.db2.gz RMBYOHYCCGMASC-UHFFFAOYSA-N 1 0 236.315 1.528 10 0 BDAERO CC(C)[C@H](C)n1ncc2c1nc[nH+]c2NN ZINC000669377153 541436535 /nfs/dbraw/zinc/43/65/35/541436535.db2.gz HJTXWVYVYOXTBB-ZETCQYMHSA-N 1 0 220.280 1.329 10 0 BDAERO C[C@@](O)(COCc1ccccc1)C1(C[NH3+])CC1 ZINC000669377177 541436568 /nfs/dbraw/zinc/43/65/68/541436568.db2.gz IOSUQTDUIBNWRO-CYBMUJFWSA-N 1 0 235.327 1.693 10 0 BDAERO [NH3+]CCCNc1ccc(OC(F)F)cn1 ZINC000327988956 181383133 /nfs/dbraw/zinc/38/31/33/181383133.db2.gz GJRCHDHIKFZVRH-UHFFFAOYSA-N 1 0 217.219 1.444 10 0 BDAERO [NH3+]CCC[S@](=O)c1ccccc1F ZINC000040954748 181385848 /nfs/dbraw/zinc/38/58/48/181385848.db2.gz CTTHVTDOPUHQHH-CYBMUJFWSA-N 1 0 201.266 1.282 10 0 BDAERO [NH3+]CCC[S@](=O)c1ccc(Cl)cc1 ZINC000040954683 181385890 /nfs/dbraw/zinc/38/58/90/181385890.db2.gz DVZUAYVWEAEMLU-CYBMUJFWSA-N 1 0 217.721 1.796 10 0 BDAERO [NH3+]CCC[C@H](C(=O)NC1CC1)c1cccnc1 ZINC000076615383 181386101 /nfs/dbraw/zinc/38/61/01/181386101.db2.gz OXKSKYIYJMTUHE-LBPRGKRZSA-N 1 0 233.315 1.183 10 0 BDAERO [NH3+]CCCc1cnn(-c2ccc(F)cc2)c1 ZINC000044280589 181386434 /nfs/dbraw/zinc/38/64/34/181386434.db2.gz SQVVPMKESCTFKW-UHFFFAOYSA-N 1 0 219.263 1.903 10 0 BDAERO [NH3+]CCCc1cc(C(F)(F)F)ccn1 ZINC000095761363 181386446 /nfs/dbraw/zinc/38/64/46/181386446.db2.gz PZWFDSFUWMECNI-UHFFFAOYSA-N 1 0 204.195 1.992 10 0 BDAERO Nc1ccc2nc(CCC[NH3+])sc2c1 ZINC000031894913 181387413 /nfs/dbraw/zinc/38/74/13/181387413.db2.gz LDQFKMCQLDRBEF-UHFFFAOYSA-N 1 0 207.302 1.770 10 0 BDAERO [NH3+]CCCc1nnc(Cc2ccc(F)cc2)o1 ZINC000011585953 181388474 /nfs/dbraw/zinc/38/84/74/181388474.db2.gz GJKDKAZONCOFRN-UHFFFAOYSA-N 1 0 235.262 1.691 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccncc2Cl)o1 ZINC000083366489 181388651 /nfs/dbraw/zinc/38/86/51/181388651.db2.gz JCLNWOPMVBTGKZ-UHFFFAOYSA-N 1 0 238.678 1.676 10 0 BDAERO [NH3+]CCCc1nnc(CCc2ccc(F)cc2)o1 ZINC000011585981 181388663 /nfs/dbraw/zinc/38/86/63/181388663.db2.gz NQSSNHBESUICBH-UHFFFAOYSA-N 1 0 249.289 1.885 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000574280696 365027360 /nfs/dbraw/zinc/02/73/60/365027360.db2.gz OPRYXAUIESGKAV-KKZNHRDASA-N 1 0 228.336 1.186 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574280697 365027721 /nfs/dbraw/zinc/02/77/21/365027721.db2.gz OPRYXAUIESGKAV-LMLFDSFASA-N 1 0 228.336 1.186 10 0 BDAERO [NH3+]CCN(c1nncc2ccccc21)C1CC1 ZINC000104303355 181390554 /nfs/dbraw/zinc/39/05/54/181390554.db2.gz CNPHNXUJYFRFAG-UHFFFAOYSA-N 1 0 228.299 1.557 10 0 BDAERO [NH3+]CCCn1nnnc1-c1cccc(Cl)c1 ZINC000042199316 181390658 /nfs/dbraw/zinc/39/06/58/181390658.db2.gz NEFMXUIBCGNZKI-UHFFFAOYSA-N 1 0 237.694 1.342 10 0 BDAERO [NH3+]CCCn1nnnc1-c1ccc(Cl)cc1 ZINC000042199256 181390893 /nfs/dbraw/zinc/39/08/93/181390893.db2.gz ARNIGMLTJQPWPV-UHFFFAOYSA-N 1 0 237.694 1.342 10 0 BDAERO [NH3+]CCCCn1cnc2sccc2c1=O ZINC000053521880 181380265 /nfs/dbraw/zinc/38/02/65/181380265.db2.gz ZDFLMFZYFISMKY-UHFFFAOYSA-N 1 0 223.301 1.197 10 0 BDAERO [NH3+]CC[C@@H](O)c1cc(F)ccc1Cl ZINC000082927040 181403008 /nfs/dbraw/zinc/40/30/08/181403008.db2.gz YTHGWKRGGFLCIM-SECBINFHSA-N 1 0 203.644 1.861 10 0 BDAERO [NH3+]CCNc1ccc2c(c1)OCCCO2 ZINC000052945690 181398221 /nfs/dbraw/zinc/39/82/21/181398221.db2.gz QTWXGWZITZPYBO-UHFFFAOYSA-N 1 0 208.261 1.219 10 0 BDAERO [NH3+]CCOCCOc1cccc(Cl)c1 ZINC000041228680 181398909 /nfs/dbraw/zinc/39/89/09/181398909.db2.gz AVNNBFVMZBFXQU-UHFFFAOYSA-N 1 0 215.680 1.694 10 0 BDAERO [NH3+]CC[C@@H](c1ccccc1)n1cccn1 ZINC000020444070 181404533 /nfs/dbraw/zinc/40/45/33/181404533.db2.gz YKNAYCYNHXRPAE-LBPRGKRZSA-N 1 0 201.273 1.821 10 0 BDAERO [NH3+]CCc1nnc(CCCc2ccccc2)o1 ZINC000050283831 181414537 /nfs/dbraw/zinc/41/45/37/181414537.db2.gz NTZVJHWVKCUVGS-UHFFFAOYSA-N 1 0 231.299 1.746 10 0 BDAERO [NH3+]CCc1nnc(-c2ccccn2)s1 ZINC000057493940 181414620 /nfs/dbraw/zinc/41/46/20/181414620.db2.gz CNSNNOUUZIGTNO-UHFFFAOYSA-N 1 0 206.274 1.101 10 0 BDAERO [NH3+]CCn1cc(-c2ccc(F)cc2)cn1 ZINC000049813048 181415392 /nfs/dbraw/zinc/41/53/92/181415392.db2.gz FOEJRORIPVIVAF-UHFFFAOYSA-N 1 0 205.236 1.648 10 0 BDAERO [NH3+]C[C@@H](O)Cc1ccc(Cl)c(Cl)c1 ZINC000041233698 181422834 /nfs/dbraw/zinc/42/28/34/181422834.db2.gz ZDANVSNROCTBGD-ZETCQYMHSA-N 1 0 220.099 1.856 10 0 BDAERO [NH3+]C[C@@H](c1ccccc1)N1CCOC1=O ZINC000070162392 181425122 /nfs/dbraw/zinc/42/51/22/181425122.db2.gz GDESTVSLKGEKOJ-JTQLQIEISA-N 1 0 206.245 1.139 10 0 BDAERO [NH3+]CCc1cc(F)nc(Br)c1 ZINC000095767915 181411537 /nfs/dbraw/zinc/41/15/37/181411537.db2.gz KNXVMMSLVHNCTF-UHFFFAOYSA-N 1 0 219.057 1.484 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1C(=O)N1CCCC1 ZINC000082641702 181427809 /nfs/dbraw/zinc/42/78/09/181427809.db2.gz VMHASKQNOQXQDI-JTQLQIEISA-N 1 0 211.309 1.015 10 0 BDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC1CCC1 ZINC000173505387 365426788 /nfs/dbraw/zinc/42/67/88/365426788.db2.gz PNKJZWHMLGZWIQ-LLVKDONJSA-N 1 0 210.321 1.339 10 0 BDAERO COc1ccc([C@H]2CO[C@@H](C[NH3+])C2)cc1OC ZINC000675060616 541463775 /nfs/dbraw/zinc/46/37/75/541463775.db2.gz JUQJQVLGXRYWJE-GHMZBOCLSA-N 1 0 237.299 1.535 10 0 BDAERO CC(C)(C)[C@@H]1CCNc2nc(CC[NH3+])nn21 ZINC000232510604 541505301 /nfs/dbraw/zinc/50/53/01/541505301.db2.gz OTFIBJGCYNLZNV-QMMMGPOBSA-N 1 0 223.324 1.182 10 0 BDAERO CCc1cn2c([nH+]1)NCC[C@@H]2[C@H]1CCCO1 ZINC000234197612 541512253 /nfs/dbraw/zinc/51/22/53/541512253.db2.gz PLKDIZIZKOFDSD-GHMZBOCLSA-N 1 0 221.304 1.981 10 0 BDAERO CC[C@@H](C[NH3+])[C@@H](O)c1cnc(C)s1 ZINC000233873072 541509918 /nfs/dbraw/zinc/50/99/18/541509918.db2.gz SLZCBOVSMSNGTE-IONNQARKSA-N 1 0 200.307 1.470 10 0 BDAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000366958029 367077395 /nfs/dbraw/zinc/07/73/95/367077395.db2.gz IODZZLZAHKRPLJ-RWMBFGLXSA-N 1 0 249.358 1.925 10 0 BDAERO c1csc(-c2nc3c(s2)C[NH2+]CC3)n1 ZINC000161654730 370818213 /nfs/dbraw/zinc/81/82/13/370818213.db2.gz RQAXUBGTZWDJGD-UHFFFAOYSA-N 1 0 223.326 1.912 10 0 BDAERO c1nc2c(c(N3CC[C@]4(CC[NH2+]C4)C3)n1)CCC2 ZINC000381009146 367333618 /nfs/dbraw/zinc/33/36/18/367333618.db2.gz QKNIHDIWACGPJK-AWEZNQCLSA-N 1 0 244.342 1.155 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccnc2cccnc21 ZINC000381359682 367387968 /nfs/dbraw/zinc/38/79/68/367387968.db2.gz KAGDDPXFLMDHCR-RKDXNWHRSA-N 1 0 216.288 1.199 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000381502899 367420331 /nfs/dbraw/zinc/42/03/31/367420331.db2.gz DGPLHPYDMXPNGK-VHSXEESVSA-N 1 0 212.337 1.665 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382231917 367499521 /nfs/dbraw/zinc/49/95/21/367499521.db2.gz VIWZBFGDRLYKAK-RQRKLZJJSA-N 1 0 238.375 1.925 10 0 BDAERO [NH3+]CC[C@H](Nc1ccccn1)C(F)F ZINC000383216697 367607211 /nfs/dbraw/zinc/60/72/11/367607211.db2.gz ABHTVKKFAJBUBL-ZETCQYMHSA-N 1 0 201.220 1.476 10 0 BDAERO Cc1ccnc(N[C@@H](CC[NH3+])C(F)F)n1 ZINC000383488646 367627583 /nfs/dbraw/zinc/62/75/83/367627583.db2.gz PRRXEDBKLMEKRI-ZETCQYMHSA-N 1 0 216.235 1.179 10 0 BDAERO [NH3+]CC[C@@H](NC(=O)CC(F)(F)F)C(F)F ZINC000383352286 367615433 /nfs/dbraw/zinc/61/54/33/367615433.db2.gz DVPKZKXOTLGIGE-SCSAIBSYSA-N 1 0 234.168 1.038 10 0 BDAERO Cc1ccnc(N[C@@H](CC[NH3+])C(F)F)c1 ZINC000383531373 367634915 /nfs/dbraw/zinc/63/49/15/367634915.db2.gz ZAGJXIFKTDWRIY-QMMMGPOBSA-N 1 0 215.247 1.784 10 0 BDAERO COCC1(O)C[NH+](CC2CCC(C)CC2)C1 ZINC000383956224 367662171 /nfs/dbraw/zinc/66/21/71/367662171.db2.gz DIENZDCLRVWUCU-UHFFFAOYSA-N 1 0 227.348 1.506 10 0 BDAERO CSCCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384781087 367730983 /nfs/dbraw/zinc/73/09/83/367730983.db2.gz UCLJVMNXXPYDCK-ZJUUUORDSA-N 1 0 203.351 1.585 10 0 BDAERO C[C@@H](CC(C)(C)C)[NH2+]CCn1cncn1 ZINC000384870986 367747017 /nfs/dbraw/zinc/74/70/17/367747017.db2.gz GFUQHNZLYKTCQQ-JTQLQIEISA-N 1 0 210.325 1.692 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000384908385 367754523 /nfs/dbraw/zinc/75/45/23/367754523.db2.gz YAWLEXWMJKIFFW-WDEREUQCSA-N 1 0 243.347 1.563 10 0 BDAERO [NH3+]C[C@@H]1CCN(Cc2noc(-c3ccco3)n2)C1 ZINC000050247622 181434491 /nfs/dbraw/zinc/43/44/91/181434491.db2.gz MWXMYNBHYDKKGI-VIFPVBQESA-N 1 0 248.286 1.110 10 0 BDAERO CC(C)SCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384952239 367763891 /nfs/dbraw/zinc/76/38/91/367763891.db2.gz VMODARZZGKBZMB-MNOVXSKESA-N 1 0 217.378 1.973 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H](C)O1 ZINC000384966490 367766314 /nfs/dbraw/zinc/76/63/14/367766314.db2.gz SQSHBXCNDFVOIF-VPOLOUISSA-N 1 0 215.337 1.549 10 0 BDAERO COC1(CC[N@@H+]2CCC[C@H](O)[C@H]2C)CCC1 ZINC000385043368 367778450 /nfs/dbraw/zinc/77/84/50/367778450.db2.gz RPHLOXFGYHVHQA-NEPJUHHUSA-N 1 0 227.348 1.791 10 0 BDAERO CC(C)Oc1cc(N2C[C@@H]([NH3+])C[C@H]2C)ncn1 ZINC000385195213 367806743 /nfs/dbraw/zinc/80/67/43/367806743.db2.gz OMLCTNDPVHMWAV-ZJUUUORDSA-N 1 0 236.319 1.190 10 0 BDAERO CC(C)(CO)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000385894894 367878265 /nfs/dbraw/zinc/87/82/65/367878265.db2.gz NMWATSLQBBCYBW-UTUOFQBUSA-N 1 0 241.375 1.798 10 0 BDAERO C[C@@H]([NH2+]Cc1ccc(CO)o1)[C@@H]1CCCO1 ZINC000081574518 370895548 /nfs/dbraw/zinc/89/55/48/370895548.db2.gz YNUVYSHLDXMPFZ-SKDRFNHKSA-N 1 0 225.288 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CC(C)N(CC1CC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085012244 368860724 /nfs/dbraw/zinc/86/07/24/368860724.db2.gz QTLQDPNLYSKZJI-VXGBXAGGSA-N 1 0 224.348 1.761 10 0 BDAERO CO[C@@H]1CCC[C@@H](O[C@H]2CCC[NH2+]C2)C1 ZINC000085383743 368864291 /nfs/dbraw/zinc/86/42/91/368864291.db2.gz JNPSEKOSYILCGY-UTUOFQBUSA-N 1 0 213.321 1.713 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NCc1ccn(C)n1 ZINC000112837116 368876030 /nfs/dbraw/zinc/87/60/30/368876030.db2.gz WHZKRIKHLPTHIG-CYBMUJFWSA-N 1 0 238.379 1.486 10 0 BDAERO Nc1cc(Br)ccc1C[NH3+] ZINC000084193521 368850924 /nfs/dbraw/zinc/85/09/24/368850924.db2.gz QIQCECRSRHMTQN-UHFFFAOYSA-N 1 0 201.067 1.490 10 0 BDAERO COc1ccc2c(c1)C(=O)OC21CC[NH2+]CC1 ZINC000114482826 368942152 /nfs/dbraw/zinc/94/21/52/368942152.db2.gz BAAYNFFRLIIZIL-UHFFFAOYSA-N 1 0 233.267 1.444 10 0 BDAERO O[C@H](c1ccccc1)[C@H]1CCN2CCC[NH+]=C12 ZINC000114635253 368945682 /nfs/dbraw/zinc/94/56/82/368945682.db2.gz KGDFKJYYPRCAEH-CHWSQXEVSA-N 1 0 230.311 1.844 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000623766703 369029618 /nfs/dbraw/zinc/02/96/18/369029618.db2.gz KYDKHPXJOIJLBO-UONOGXRCSA-N 1 0 246.310 1.407 10 0 BDAERO [NH3+]C[C@H](CCC(=O)NC1CC1)c1ccco1 ZINC000076611169 181443651 /nfs/dbraw/zinc/44/36/51/181443651.db2.gz GDUDBUGGBCUDQI-VIFPVBQESA-N 1 0 222.288 1.381 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ncc[nH]1 ZINC000616693349 369115611 /nfs/dbraw/zinc/11/56/11/369115611.db2.gz YBCFXXGNHOZKEP-CYBMUJFWSA-N 1 0 242.326 1.316 10 0 BDAERO NC(=O)N1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000616693529 369116010 /nfs/dbraw/zinc/11/60/10/369116010.db2.gz ZYGRRNAAGQQTMH-NSHDSACASA-N 1 0 219.288 1.013 10 0 BDAERO [NH3+]C[C@H]1CCCCN1C(=O)NC1CCC1 ZINC000082641725 181456618 /nfs/dbraw/zinc/45/66/18/181456618.db2.gz AKDSEXAAWLDELN-SNVBAGLBSA-N 1 0 211.309 1.062 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@H]1OCC1CCOCC1 ZINC000052151137 181458458 /nfs/dbraw/zinc/45/84/58/181458458.db2.gz COTXAKZYMUAMMH-CHWSQXEVSA-N 1 0 227.348 1.947 10 0 BDAERO [NH3+]C[C@]1(N2CCOCC2)CCc2ccccc2C1 ZINC000037515655 181470766 /nfs/dbraw/zinc/47/07/66/181470766.db2.gz ZKWFEUMJEPKGMO-HNNXBMFYSA-N 1 0 246.354 1.205 10 0 BDAERO C[C@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631839842 369186179 /nfs/dbraw/zinc/18/61/79/369186179.db2.gz LPPJVGODMSWIEA-UONOGXRCSA-N 1 0 248.370 1.982 10 0 BDAERO Nc1nnc(-c2ccc(C[NH3+])cc2)s1 ZINC000082532638 181479984 /nfs/dbraw/zinc/47/99/84/181479984.db2.gz BETQEYSUBNJZIP-UHFFFAOYSA-N 1 0 206.274 1.246 10 0 BDAERO CCN(CC)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000108652518 369401530 /nfs/dbraw/zinc/40/15/30/369401530.db2.gz VHYALQWFAIIBGW-NSHDSACASA-N 1 0 227.352 1.332 10 0 BDAERO C(C[N@@H+]1CC[C@H]2OCCN[C@H]2C1)C1CCCC1 ZINC000404212237 369422912 /nfs/dbraw/zinc/42/29/12/369422912.db2.gz WGIRUJTYQUTQFL-UONOGXRCSA-N 1 0 238.375 1.629 10 0 BDAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250552894 369546351 /nfs/dbraw/zinc/54/63/51/369546351.db2.gz AODCBNIVMGCIKL-RNJOBUHISA-N 1 0 236.359 1.585 10 0 BDAERO C[C@H](c1ccncc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252666969 370108159 /nfs/dbraw/zinc/10/81/59/370108159.db2.gz DLEYEUYUBOIEKI-OCCSQVGLSA-N 1 0 231.343 1.923 10 0 BDAERO C[C@@H](c1ccncc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252666968 370108404 /nfs/dbraw/zinc/10/84/04/370108404.db2.gz DLEYEUYUBOIEKI-JSGCOSHPSA-N 1 0 231.343 1.923 10 0 BDAERO O[C@@H](c1nccs1)[C@@H]1CCCCC[NH2+]1 ZINC000161532823 370134313 /nfs/dbraw/zinc/13/43/13/370134313.db2.gz INEDLXQPURNUAQ-DTWKUNHWSA-N 1 0 212.318 1.709 10 0 BDAERO CC1CC(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000621672484 370424562 /nfs/dbraw/zinc/42/45/62/370424562.db2.gz GXXNHCHCHVKKIB-JPPWEJMLSA-N 1 0 210.321 1.276 10 0 BDAERO CC1CC(CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000621672855 370424569 /nfs/dbraw/zinc/42/45/69/370424569.db2.gz WJJWTTGYVLYAGN-YVNMAJEFSA-N 1 0 210.321 1.148 10 0 BDAERO Cc1nccnc1C[N@@H+]1CCC[C@H]1CCCO ZINC000621714276 370461309 /nfs/dbraw/zinc/46/13/09/370461309.db2.gz JWHCPSVTKVFBTI-LBPRGKRZSA-N 1 0 235.331 1.522 10 0 BDAERO C[C@@H]1CN(Cc2cncc(Cl)c2)C[C@@H]1[NH3+] ZINC000621776038 370524233 /nfs/dbraw/zinc/52/42/33/370524233.db2.gz AKQDFPVLWONMLT-KCJUWKMLSA-N 1 0 225.723 1.514 10 0 BDAERO CC[C@H]([NH3+])C(=O)[C@H]1CCc2cccnc21 ZINC000226539922 370621267 /nfs/dbraw/zinc/62/12/67/370621267.db2.gz DQDMQEQXDQLAPZ-UWVGGRQHSA-N 1 0 204.273 1.418 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000623764428 371086472 /nfs/dbraw/zinc/08/64/72/371086472.db2.gz DVWLNKSLNBAQGM-OLZOCXBDSA-N 1 0 247.294 1.672 10 0 BDAERO [NH3+][C@H](Cc1nnc2ccccn21)c1ccccc1 ZINC000019488315 181629079 /nfs/dbraw/zinc/62/90/79/181629079.db2.gz MSFQQANYXWZXSW-GFCCVEGCSA-N 1 0 238.294 1.972 10 0 BDAERO [NH3+][C@H]1CCC(=O)N[C@H]1c1ccc(F)cc1 ZINC000057495263 181640159 /nfs/dbraw/zinc/64/01/59/181640159.db2.gz YHRVOXBWXVRYCT-ONGXEEELSA-N 1 0 208.236 1.104 10 0 BDAERO [NH3+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000060051004 181645010 /nfs/dbraw/zinc/64/50/10/181645010.db2.gz ZRGMEPVPIGRPOL-NSHDSACASA-N 1 0 204.273 1.136 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000055086385 181647285 /nfs/dbraw/zinc/64/72/85/181647285.db2.gz OFJCKWHUOFSQSQ-QWRGUYRKSA-N 1 0 210.321 1.516 10 0 BDAERO C[C@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)C[C@@H](C)C1 ZINC000624237217 371421847 /nfs/dbraw/zinc/42/18/47/371421847.db2.gz RYVYGSCUEUUSPO-CKIKVBCHSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624235144 371422552 /nfs/dbraw/zinc/42/25/52/371422552.db2.gz FJARTGFJHCNNGG-JLLWLGSASA-N 1 0 241.356 1.419 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)C1CCCCC1 ZINC000624235009 371423146 /nfs/dbraw/zinc/42/31/46/371423146.db2.gz BGUVLTCXCWTNQV-DRZSPHRISA-N 1 0 227.348 1.695 10 0 BDAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624236172 371423792 /nfs/dbraw/zinc/42/37/92/371423792.db2.gz XPJORRGNHFMTHJ-RVMXOQNASA-N 1 0 229.364 1.941 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(F)cn1 ZINC000624237863 371426330 /nfs/dbraw/zinc/42/63/30/371426330.db2.gz GHNMSLSNROFNRE-UWJYBYFXSA-N 1 0 240.278 1.021 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccsc1 ZINC000624239960 371428949 /nfs/dbraw/zinc/42/89/49/371428949.db2.gz XZVHUHOFOXPPPG-SRVKXCTJSA-N 1 0 241.356 1.939 10 0 BDAERO Nc1c[nH+]ccc1NC[C@@H]1CCCCO1 ZINC000042813425 181769887 /nfs/dbraw/zinc/76/98/87/181769887.db2.gz DUZHUVYDNQUVFC-VIFPVBQESA-N 1 0 207.277 1.645 10 0 BDAERO C[C@H](c1ccncc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096477902 371498392 /nfs/dbraw/zinc/49/83/92/371498392.db2.gz DLEYEUYUBOIEKI-TZMCWYRMSA-N 1 0 231.343 1.923 10 0 BDAERO [NH3+]C1CCC(O)(C(F)(F)Br)CC1 ZINC000225658197 371563961 /nfs/dbraw/zinc/56/39/61/371563961.db2.gz BHXAHIROHWCLIR-UHFFFAOYSA-N 1 0 244.079 1.607 10 0 BDAERO O[C@@H]([C@H]1CCC[NH2+]1)C(F)(F)Br ZINC000225669206 371565547 /nfs/dbraw/zinc/56/55/47/371565547.db2.gz LMMKTTPGSXKHMV-UHNVWZDZSA-N 1 0 230.052 1.087 10 0 BDAERO Brc1cncc(C=C2C[NH2+]C2)c1 ZINC000161904641 371580051 /nfs/dbraw/zinc/58/00/51/371580051.db2.gz NTSJMQVFGPQNAO-UHFFFAOYSA-N 1 0 225.089 1.831 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1Oc1ncc(Cl)cn1 ZINC000131646892 371640208 /nfs/dbraw/zinc/64/02/08/371640208.db2.gz ZOVJDGWPMYRHKF-JGVFFNPUSA-N 1 0 213.668 1.389 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000226300922 371640793 /nfs/dbraw/zinc/64/07/93/371640793.db2.gz QTGZHUOWYCTDCZ-DCAQKATOSA-N 1 0 212.337 1.618 10 0 BDAERO Cn1nccc1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000226334163 371648911 /nfs/dbraw/zinc/64/89/11/371648911.db2.gz FMVQKEUVBVAFGX-BDAKNGLRSA-N 1 0 207.277 1.120 10 0 BDAERO Cc1ccc(C(=O)[C@H]2CC[C@@H](C[NH3+])O2)s1 ZINC000226644818 371714543 /nfs/dbraw/zinc/71/45/43/371714543.db2.gz JOFUVGUNFSHYGC-DTWKUNHWSA-N 1 0 225.313 1.746 10 0 BDAERO ON[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132019195 371741780 /nfs/dbraw/zinc/74/17/80/371741780.db2.gz NBEYBEHMZZFBNJ-GFCCVEGCSA-N 1 0 206.289 1.630 10 0 BDAERO Cc1cc(C(=O)[C@@H]2CC[C@@H](C[NH3+])O2)cs1 ZINC000226650945 371718385 /nfs/dbraw/zinc/71/83/85/371718385.db2.gz FFNGZUMYHGZESN-UWVGGRQHSA-N 1 0 225.313 1.746 10 0 BDAERO Cc1cc([C@H](O)CC[NH3+])c(F)cc1F ZINC000132047049 371747858 /nfs/dbraw/zinc/74/78/58/371747858.db2.gz NYJWLXPNIKTKPF-SNVBAGLBSA-N 1 0 201.216 1.655 10 0 BDAERO C[C@@H]1CC[NH2+][C@H]1C(=O)NCc1ccccc1 ZINC000226889165 371755517 /nfs/dbraw/zinc/75/55/17/371755517.db2.gz RNTBWGJUYUBXFF-ZYHUDNBSSA-N 1 0 218.300 1.301 10 0 BDAERO C[C@@H]1CN[C@]2(C[NH2+]C[C@@H](C)C2)SC1 ZINC000401692616 371801978 /nfs/dbraw/zinc/80/19/78/371801978.db2.gz HRMPUUBTTWWJAV-AEJSXWLSSA-N 1 0 200.351 1.285 10 0 BDAERO CC[C@](C)([NH3+])CN1CCS[C@H](C)[C@@H]1C ZINC000132460837 371828194 /nfs/dbraw/zinc/82/81/94/371828194.db2.gz WVHZUMUUVYXTNU-AXFHLTTASA-N 1 0 216.394 1.940 10 0 BDAERO O=C1CC[C@@H]([N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000227414513 371859191 /nfs/dbraw/zinc/85/91/91/371859191.db2.gz YSZWYBISFAJUQC-WDEREUQCSA-N 1 0 211.305 1.202 10 0 BDAERO CCCC[C@@H](C(=O)OC)N1CC[C@H]([NH+](C)C)C1 ZINC000132649852 371883615 /nfs/dbraw/zinc/88/36/15/371883615.db2.gz QNDZAPBXVUEBMM-RYUDHWBXSA-N 1 0 242.363 1.354 10 0 BDAERO [NH3+]C[C@]1(c2cccc(Cl)c2)C[C@H]1CO ZINC000132845530 371936170 /nfs/dbraw/zinc/93/61/70/371936170.db2.gz JJYKPERKRHXLAM-ONGXEEELSA-N 1 0 211.692 1.549 10 0 BDAERO COC[C@H](C)[NH2+][C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000227556859 371890661 /nfs/dbraw/zinc/89/06/61/371890661.db2.gz NSJVAVIVLXXRST-AEJSXWLSSA-N 1 0 244.335 1.277 10 0 BDAERO CN[C@@H](C[NH3+])c1cc(Cl)ccc1F ZINC000162992375 371905119 /nfs/dbraw/zinc/90/51/19/371905119.db2.gz DPESXUVJXLRYEO-VIFPVBQESA-N 1 0 202.660 1.698 10 0 BDAERO [NH3+][C@@H]1CN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000227618932 371905277 /nfs/dbraw/zinc/90/52/77/371905277.db2.gz SKAYHEDZOCXWIK-MRVPVSSYSA-N 1 0 231.082 1.667 10 0 BDAERO [NH3+][C@@H]1CN(c2ccccc2Br)C1=O ZINC000227617825 371906440 /nfs/dbraw/zinc/90/64/40/371906440.db2.gz HGHIODQKDPHTKQ-SSDOTTSWSA-N 1 0 241.088 1.123 10 0 BDAERO Cc1sc([C@@H](N)C[NH3+])cc1Br ZINC000227862270 371949194 /nfs/dbraw/zinc/94/91/94/371949194.db2.gz IIXVAVYVUXIHDM-LURJTMIESA-N 1 0 235.150 1.778 10 0 BDAERO C[C@@H]1CN(CCC(C)(C)[NH3+])[C@@H](C)CO1 ZINC000217447834 371956815 /nfs/dbraw/zinc/95/68/15/371956815.db2.gz GSQRFGGHBVHVGL-VHSXEESVSA-N 1 0 200.326 1.223 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ncncc2Cl)C1 ZINC000163595629 372017737 /nfs/dbraw/zinc/01/77/37/372017737.db2.gz DOGMRLTZSQPMLG-SSDOTTSWSA-N 1 0 212.684 1.246 10 0 BDAERO Cc1csc(N2CC[C@H]([NH3+])C[C@H]2C)n1 ZINC000228353555 372018984 /nfs/dbraw/zinc/01/89/84/372018984.db2.gz ZDMNIHYTGXNWAR-BDAKNGLRSA-N 1 0 211.334 1.768 10 0 BDAERO Cc1ccsc1-c1n[nH]c([C@@H](C)[NH3+])n1 ZINC000306513505 372029284 /nfs/dbraw/zinc/02/92/84/372029284.db2.gz AOESDALITGEMHT-ZCFIWIBFSA-N 1 0 208.290 1.861 10 0 BDAERO C[C@@H]1CSCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000306599576 372042842 /nfs/dbraw/zinc/04/28/42/372042842.db2.gz RUHOUDHOECJSIM-JTQLQIEISA-N 1 0 214.378 1.423 10 0 BDAERO CN(C)c1ccc(C(N)=[NH2+])c(Br)c1 ZINC000228241548 372008080 /nfs/dbraw/zinc/00/80/80/372008080.db2.gz IOESFCCSFZRTSZ-UHFFFAOYSA-N 1 0 242.120 1.799 10 0 BDAERO C[C@@H]1CCSCCN1C1(C[NH3+])CC1 ZINC000307456294 372122237 /nfs/dbraw/zinc/12/22/37/372122237.db2.gz FOXSVPCMMYPHOH-SECBINFHSA-N 1 0 200.351 1.305 10 0 BDAERO CC[C@@H]1CC[N@@H+]([C@@]2(CN)CCSC2)C1 ZINC000228679544 372067288 /nfs/dbraw/zinc/06/72/88/372067288.db2.gz OAHFLOUFYOMSIH-GHMZBOCLSA-N 1 0 214.378 1.553 10 0 BDAERO C[C@H]1CCSC(N[C@H]2CCCOC2)=[NH+]1 ZINC000133649221 372085505 /nfs/dbraw/zinc/08/55/05/372085505.db2.gz LDNVAGDJDJOVQB-IUCAKERBSA-N 1 0 214.334 1.636 10 0 BDAERO CSCCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000229268364 372134186 /nfs/dbraw/zinc/13/41/86/372134186.db2.gz KPURLPIVBNXPMX-JTQLQIEISA-N 1 0 232.393 1.619 10 0 BDAERO [NH3+][C@]1(c2ncncc2Cl)CCCOC1 ZINC000307644953 372134213 /nfs/dbraw/zinc/13/42/13/372134213.db2.gz WNVIABNHONFXFU-SECBINFHSA-N 1 0 213.668 1.094 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000134204288 372179263 /nfs/dbraw/zinc/17/92/63/372179263.db2.gz DZLSBGAARVMNEL-SECBINFHSA-N 1 0 208.236 1.546 10 0 BDAERO C[C@@H]1CCS[C@](C)([C@@H]2CCOC2)[NH2+]1 ZINC000229665933 372179325 /nfs/dbraw/zinc/17/93/25/372179325.db2.gz NXYDQYDSKCUPLU-OPRDCNLKSA-N 1 0 201.335 1.854 10 0 BDAERO CC[C@@H]1CCC[C@@]12C[NH2+]C[C@@H]2C(=O)OC ZINC000229210749 372126685 /nfs/dbraw/zinc/12/66/85/372126685.db2.gz HDDVDKNOESXSAV-CKYFFXLPSA-N 1 0 211.305 1.575 10 0 BDAERO CSC1([C@@H](O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000307592458 372130679 /nfs/dbraw/zinc/13/06/79/372130679.db2.gz FBGYNDDSUKTGNU-ZJUUUORDSA-N 1 0 215.362 1.775 10 0 BDAERO Cc1ccc([C@@]2(O)CCC[N@@H+](C)C2)s1 ZINC000134345714 372197877 /nfs/dbraw/zinc/19/78/77/372197877.db2.gz YYJZBLLSVGDVDR-LLVKDONJSA-N 1 0 211.330 1.970 10 0 BDAERO Fc1cc(OC2C[NH2+]C2)ccc1Cl ZINC000134372272 372200234 /nfs/dbraw/zinc/20/02/34/372200234.db2.gz JXNRHVMTTVIHKU-UHFFFAOYSA-N 1 0 201.628 1.830 10 0 BDAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1cnoc1 ZINC000061684941 181925728 /nfs/dbraw/zinc/92/57/28/181925728.db2.gz LOKPECFCHYIBOC-SECBINFHSA-N 1 0 223.276 1.535 10 0 BDAERO CC(C)c1nc(CN2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631839415 372635677 /nfs/dbraw/zinc/63/56/77/372635677.db2.gz GCBVNUFOYVXLDC-UWVGGRQHSA-N 1 0 238.335 1.220 10 0 BDAERO CC(C)n1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841162 372638220 /nfs/dbraw/zinc/63/82/20/372638220.db2.gz YYBGFOJQDGTUAY-RYUDHWBXSA-N 1 0 236.363 1.491 10 0 BDAERO C[C@@H]1CN(Cc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000631842403 372641139 /nfs/dbraw/zinc/64/11/39/372641139.db2.gz ZYRYLCZVTVMORK-KOLCDFICSA-N 1 0 240.297 1.991 10 0 BDAERO O=C(COC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095072863 181997963 /nfs/dbraw/zinc/99/79/63/181997963.db2.gz UDSCQLUORGBLKC-NSHDSACASA-N 1 0 234.299 1.423 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1nccs1 ZINC000054305471 182028413 /nfs/dbraw/zinc/02/84/13/182028413.db2.gz QWUMVMFCMFAMAX-MRVPVSSYSA-N 1 0 225.317 1.471 10 0 BDAERO O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCC[NH2+]C1CC1 ZINC000054265554 182032166 /nfs/dbraw/zinc/03/21/66/182032166.db2.gz YLTBWFUXZLQCSL-QJPTWQEYSA-N 1 0 236.359 1.681 10 0 BDAERO O=C(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000041234689 182036722 /nfs/dbraw/zinc/03/67/22/182036722.db2.gz SVULDJZBMOWJLE-NSHDSACASA-N 1 0 221.275 1.937 10 0 BDAERO C[C@H]([NH3+])[C@](O)(c1ccoc1)C(F)(F)F ZINC000068978567 373099190 /nfs/dbraw/zinc/09/91/90/373099190.db2.gz RWFPADACXVENCQ-FSPLSTOPSA-N 1 0 209.167 1.377 10 0 BDAERO [NH3+]Cc1cccc(-n2cc(Cl)cn2)c1 ZINC000068983665 373102039 /nfs/dbraw/zinc/10/20/39/373102039.db2.gz JJAGHVTWRQIFRZ-UHFFFAOYSA-N 1 0 207.664 1.984 10 0 BDAERO [NH3+]CCNC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000169834735 205508090 /nfs/dbraw/zinc/50/80/90/205508090.db2.gz AOLHIPNLVNIEDY-UHFFFAOYSA-N 1 0 249.701 1.577 10 0 BDAERO O=C(NC1CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000054457652 182095856 /nfs/dbraw/zinc/09/58/56/182095856.db2.gz INQIEISPRGGSCU-JQWIXIFHSA-N 1 0 237.347 1.322 10 0 BDAERO O=C(NC1C[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000090289177 182119034 /nfs/dbraw/zinc/11/90/34/182119034.db2.gz DKERNWBUMVVZGU-CYBMUJFWSA-N 1 0 230.311 1.195 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000186937625 205730628 /nfs/dbraw/zinc/73/06/28/205730628.db2.gz COKOHEZWRLTNGY-GHMZBOCLSA-N 1 0 247.404 1.834 10 0 BDAERO [NH3+]Cc1cc2c(cc1Br)OCCO2 ZINC000069803409 373822210 /nfs/dbraw/zinc/82/22/10/373822210.db2.gz QXHODQIIADBWRA-UHFFFAOYSA-N 1 0 244.088 1.679 10 0 BDAERO [NH3+][C@@H]1CCCCC[C@@H]1N1CCSCC1 ZINC000040989046 373976935 /nfs/dbraw/zinc/97/69/35/373976935.db2.gz HEGNTSHAFWCHGC-MNOVXSKESA-N 1 0 214.378 1.695 10 0 BDAERO O=C(NC[C@@H]1CCCC[NH2+]1)Oc1ccccc1 ZINC000019816313 182223382 /nfs/dbraw/zinc/22/33/82/182223382.db2.gz YSZXSVWRXSLMQU-NSHDSACASA-N 1 0 234.299 1.917 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@@H]2CCSC2)n1 ZINC000070005008 374109888 /nfs/dbraw/zinc/10/98/88/374109888.db2.gz ZSPMUUCYHHVPTI-NKWVEPMBSA-N 1 0 213.306 1.352 10 0 BDAERO CN(C)[C@@H](C[NH3+])C1=Cc2ccccc2OC1 ZINC000041166610 374115963 /nfs/dbraw/zinc/11/59/63/374115963.db2.gz RVVMXOGQQRZUBV-LBPRGKRZSA-N 1 0 218.300 1.351 10 0 BDAERO C[C@@H](O)[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000041212398 374121138 /nfs/dbraw/zinc/12/11/38/374121138.db2.gz PENSHPRZZMWWKP-MLUIRONXSA-N 1 0 203.644 1.860 10 0 BDAERO O=C(NC[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000045630976 182234794 /nfs/dbraw/zinc/23/47/94/182234794.db2.gz IFLGLDHNTQBKOW-QWRGUYRKSA-N 1 0 208.305 1.211 10 0 BDAERO C[C@@H](C(=O)N[C@H]1C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246137062 374172998 /nfs/dbraw/zinc/17/29/98/374172998.db2.gz QHQDKZGDLJHXNR-GCHJQGSQSA-N 1 0 224.348 1.772 10 0 BDAERO O=C(NC[C@H]1CCC[NH2+]C1)C1[C@@H]2CCCC[C@H]12 ZINC000226229974 182237639 /nfs/dbraw/zinc/23/76/39/182237639.db2.gz RJPJRXWKVSUYAJ-ACJTYDJDSA-N 1 0 236.359 1.538 10 0 BDAERO CN([C@H]1CC[NH2+]C1)C1CCSCC1 ZINC000070893191 374226071 /nfs/dbraw/zinc/22/60/71/374226071.db2.gz ZMXJLKYQHDMVKT-JTQLQIEISA-N 1 0 200.351 1.176 10 0 BDAERO CN([C@H]1CC[NH2+]C1)[C@@H]1CCCSC1 ZINC000070893019 374226239 /nfs/dbraw/zinc/22/62/39/374226239.db2.gz XLHTULGEEWYYQU-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO Cc1cccnc1CNC1=[NH+]CCS1 ZINC000070909346 374228319 /nfs/dbraw/zinc/22/83/19/374228319.db2.gz DDYOOXSYMYPYPV-UHFFFAOYSA-N 1 0 207.302 1.582 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(C(F)F)cc(=O)[nH]1 ZINC000070949132 374233332 /nfs/dbraw/zinc/23/33/32/374233332.db2.gz CDOHZDUCYHMJDA-SCSAIBSYSA-N 1 0 203.192 1.010 10 0 BDAERO [NH3+]C1(c2ncc(Br)cn2)CCCC1 ZINC000070953228 374235543 /nfs/dbraw/zinc/23/55/43/374235543.db2.gz YNLDYHQEFHGHKI-UHFFFAOYSA-N 1 0 242.120 1.967 10 0 BDAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]12)c1ccccc1 ZINC000013454138 182301570 /nfs/dbraw/zinc/30/15/70/182301570.db2.gz GRPZIKODAMHEFJ-OLZOCXBDSA-N 1 0 230.311 1.653 10 0 BDAERO O=C(Nc1ccc2[nH]cnc2c1)[C@H]1CCC[NH2+]1 ZINC000082257913 182361905 /nfs/dbraw/zinc/36/19/05/182361905.db2.gz DPLRNMPPQPFFET-SNVBAGLBSA-N 1 0 230.271 1.253 10 0 BDAERO O=C(Nc1cn[nH]c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035764231 182391381 /nfs/dbraw/zinc/39/13/81/182391381.db2.gz WKLBAWCTKABOPK-LBPRGKRZSA-N 1 0 242.282 1.063 10 0 BDAERO O=C(c1ccoc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186499325 182692088 /nfs/dbraw/zinc/69/20/88/182692088.db2.gz RKLFDRMNTUSXGA-NSHDSACASA-N 1 0 234.299 1.636 10 0 BDAERO C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1cccs1 ZINC000178338343 134308763 /nfs/dbraw/zinc/30/87/63/134308763.db2.gz RKRMZZUNQQEDQY-KCJUWKMLSA-N 1 0 242.319 1.627 10 0 BDAERO O=C1CCC2(CC[NH2+]CC2)N1c1ccccc1 ZINC000082297212 182725943 /nfs/dbraw/zinc/72/59/43/182725943.db2.gz HPLFHIVBNWJSNT-UHFFFAOYSA-N 1 0 230.311 1.936 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000328245846 168906862 /nfs/dbraw/zinc/90/68/62/168906862.db2.gz MTSOKCRNZRKLFG-VXGBXAGGSA-N 1 0 245.363 1.321 10 0 BDAERO O=S1(=O)CC[C@@H](CC[NH2+]C2CCCCC2)C1 ZINC000061912641 182910502 /nfs/dbraw/zinc/91/05/02/182910502.db2.gz VAUGNZGHMJUPJZ-LLVKDONJSA-N 1 0 245.388 1.734 10 0 BDAERO O=[S@@](Cc1ccccn1)C[C@H]1CCC[NH2+]1 ZINC000095073571 182963271 /nfs/dbraw/zinc/96/32/71/182963271.db2.gz MJXYHVFAXOJMKV-IAQYHMDHSA-N 1 0 224.329 1.082 10 0 BDAERO O=c1ccccn1CC[NH2+]CCc1ccsc1 ZINC000053500487 183001924 /nfs/dbraw/zinc/00/19/24/183001924.db2.gz QMMYDXAMTFKJEV-UHFFFAOYSA-N 1 0 248.351 1.742 10 0 BDAERO OC1(C[NH2+][C@H]2CCN3CCC[C@H]23)CCCCC1 ZINC000049567650 183020503 /nfs/dbraw/zinc/02/05/03/183020503.db2.gz IEDOSDHMZUNZJM-QWHCGFSZSA-N 1 0 238.375 1.508 10 0 BDAERO OC1(C[NH2+]CCn2ccnc2)CCCCCC1 ZINC000042541284 183020685 /nfs/dbraw/zinc/02/06/85/183020685.db2.gz KPBNZFVCRDPXFX-UHFFFAOYSA-N 1 0 237.347 1.558 10 0 BDAERO OCC[N@H+](C[C@H]1Cc2ccccc21)C1CC1 ZINC000085576467 183068745 /nfs/dbraw/zinc/06/87/45/183068745.db2.gz AHWLLRYCZZOQJK-GFCCVEGCSA-N 1 0 217.312 1.783 10 0 BDAERO OCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1C=C[C@H]2CC1 ZINC000072236090 183057365 /nfs/dbraw/zinc/05/73/65/183057365.db2.gz VZJPCTBAKSEBIR-YVECIDJPSA-N 1 0 207.317 1.513 10 0 BDAERO OCCC[NH2+]Cc1cccc(F)c1Cl ZINC000083349149 183058164 /nfs/dbraw/zinc/05/81/64/183058164.db2.gz UGLQFHUJSPJWPY-UHFFFAOYSA-N 1 0 217.671 1.951 10 0 BDAERO OCCC[NH2+]CCc1c[nH]c2ccccc12 ZINC000049816915 183059504 /nfs/dbraw/zinc/05/95/04/183059504.db2.gz BJUXNNJSPLJVAD-UHFFFAOYSA-N 1 0 218.300 1.682 10 0 BDAERO CCCC[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000050888046 168989892 /nfs/dbraw/zinc/98/98/92/168989892.db2.gz LNEBGXRHJYMEFP-NSHDSACASA-N 1 0 242.363 1.437 10 0 BDAERO OCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000045205921 183079709 /nfs/dbraw/zinc/07/97/09/183079709.db2.gz ULCUQFSNVLMHJN-UHFFFAOYSA-N 1 0 212.318 1.104 10 0 BDAERO OCCOCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309528202 183081660 /nfs/dbraw/zinc/08/16/60/183081660.db2.gz VIDWVEGEYMRZCV-RYUDHWBXSA-N 1 0 233.327 1.503 10 0 BDAERO OC[C@@H](c1cccs1)N1CCC[NH2+]CC1 ZINC000041673140 183114056 /nfs/dbraw/zinc/11/40/56/183114056.db2.gz WCWLHFZLGPKZJE-JTQLQIEISA-N 1 0 226.345 1.077 10 0 BDAERO OC[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC000038117360 183114638 /nfs/dbraw/zinc/11/46/38/183114638.db2.gz KDTGZDHWYUNDDE-NSHDSACASA-N 1 0 226.345 1.077 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367615163 183118843 /nfs/dbraw/zinc/11/88/43/183118843.db2.gz KFWLACBBNQDACY-CYZMBNFOSA-N 1 0 249.358 1.928 10 0 BDAERO CCCC[C@H]([NH3+])c1nnc2ncccn21 ZINC000036827896 169010084 /nfs/dbraw/zinc/01/00/84/169010084.db2.gz HBQPNYLRWZIVJL-QMMMGPOBSA-N 1 0 205.265 1.314 10 0 BDAERO OC[C@H]1C[N@@H+]([C@H]2/C=C/CCCCC2)CCO1 ZINC000300910163 183154879 /nfs/dbraw/zinc/15/48/79/183154879.db2.gz DAESNDRTIFZDII-DRKGASSASA-N 1 0 225.332 1.568 10 0 BDAERO OC[C@H]1[NH2+]CCc2c(Br)cccc21 ZINC000083731820 183156283 /nfs/dbraw/zinc/15/62/83/183156283.db2.gz CIEONVMAFJNKPK-SNVBAGLBSA-N 1 0 242.116 1.628 10 0 BDAERO OC[C@]1([NH2+]C2CCCCC2)CCSC1 ZINC000038111100 183159473 /nfs/dbraw/zinc/15/94/73/183159473.db2.gz IANYEIAQRFGRGG-LLVKDONJSA-N 1 0 215.362 1.777 10 0 BDAERO CCCN(C(=O)NC1CCC1)[C@@H]1CC[NH2+]C1 ZINC000127895586 169043545 /nfs/dbraw/zinc/04/35/45/169043545.db2.gz NNZFBXLZXSJUNZ-LLVKDONJSA-N 1 0 225.336 1.322 10 0 BDAERO O[C@@H](C[NH2+]CCn1cccn1)c1cccc(F)c1 ZINC000042540716 183179665 /nfs/dbraw/zinc/17/96/65/183179665.db2.gz CKOJASLLZAINLB-ZDUSSCGKSA-N 1 0 249.289 1.345 10 0 BDAERO O[C@@H](C[NH2+]CC1CCOCC1)c1ccsc1 ZINC000165644518 183179705 /nfs/dbraw/zinc/17/97/05/183179705.db2.gz FVWUYTHWNFLSJH-LBPRGKRZSA-N 1 0 241.356 1.798 10 0 BDAERO CCCN(C(=O)c1ccoc1)[C@@H]1CCC[NH2+]C1 ZINC000037541603 169048171 /nfs/dbraw/zinc/04/81/71/169048171.db2.gz DUKVUQGNOCXRTN-GFCCVEGCSA-N 1 0 236.315 1.884 10 0 BDAERO CCCN(C(C)C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305392 169049076 /nfs/dbraw/zinc/04/90/76/169049076.db2.gz BAHNGKGZYRNBMS-WDEREUQCSA-N 1 0 200.326 1.223 10 0 BDAERO O[C@@H](CC[NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000049827545 183174822 /nfs/dbraw/zinc/17/48/22/183174822.db2.gz NPASHXWIRBSVQW-KBPBESRZSA-N 1 0 235.327 1.879 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@H]1Cc1ccccc1F ZINC000071511534 183200011 /nfs/dbraw/zinc/20/00/11/183200011.db2.gz LANPFCNCHPJVHI-ZYHUDNBSSA-N 1 0 209.264 1.339 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@@H]1Cc1c(F)cccc1Cl ZINC000071558155 183201071 /nfs/dbraw/zinc/20/10/71/183201071.db2.gz KAKBDWRMNZICBS-QPUJVOFHSA-N 1 0 243.709 1.992 10 0 BDAERO O[C@@H]1CC[NH2+][C@@H]1c1ccccc1Br ZINC000096987598 183201300 /nfs/dbraw/zinc/20/13/00/183201300.db2.gz OILYTLRIBGHLBR-NXEZZACHSA-N 1 0 242.116 1.844 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCCSCC1 ZINC000042444432 183187632 /nfs/dbraw/zinc/18/76/32/183187632.db2.gz PLLAHHDVHBDDER-WDEREUQCSA-N 1 0 215.362 1.729 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000037165332 183195569 /nfs/dbraw/zinc/19/55/69/183195569.db2.gz MSJAMLNCDFIAIS-ZYHUDNBSSA-N 1 0 206.289 1.475 10 0 BDAERO O[C@H](CCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000049836577 183219326 /nfs/dbraw/zinc/21/93/26/183219326.db2.gz OSPMLYTYKIOJTP-OAHLLOKOSA-N 1 0 248.370 1.796 10 0 BDAERO O[C@H](C[NH2+]CC1CCOCC1)c1ccsc1 ZINC000165644408 183222647 /nfs/dbraw/zinc/22/26/47/183222647.db2.gz FVWUYTHWNFLSJH-GFCCVEGCSA-N 1 0 241.356 1.798 10 0 BDAERO O[C@H](C[NH2+]C1CC1)c1cc(F)ccc1F ZINC000037871905 183223002 /nfs/dbraw/zinc/22/30/02/183223002.db2.gz YWIYEDGXJDSCTG-LLVKDONJSA-N 1 0 213.227 1.750 10 0 BDAERO CCC[N@H+](C)[C@@H]1Cc2ccccc2[C@@H]1N ZINC000037098351 169087150 /nfs/dbraw/zinc/08/71/50/169087150.db2.gz ZEWNCQDDEZMHDY-OLZOCXBDSA-N 1 0 204.317 1.953 10 0 BDAERO O[C@H](c1ccc2c(c1)OCO2)[C@H]1CCCC[NH2+]1 ZINC000041265380 183229366 /nfs/dbraw/zinc/22/93/66/183229366.db2.gz DZSWSORCZGYERZ-ZWNOBZJWSA-N 1 0 235.283 1.591 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]C1CCOCC1 ZINC000037893145 183231792 /nfs/dbraw/zinc/23/17/92/183231792.db2.gz BVOFKSDXMBBSEQ-NEPJUHHUSA-N 1 0 213.321 1.449 10 0 BDAERO O[C@@]1(c2cccc(Cl)c2)CCC[NH2+]C1 ZINC000071518434 183217408 /nfs/dbraw/zinc/21/74/08/183217408.db2.gz BEVNYFGSNIZXQQ-NSHDSACASA-N 1 0 211.692 1.911 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1Cc1ccc(F)cc1 ZINC000071511542 183240911 /nfs/dbraw/zinc/24/09/11/183240911.db2.gz SDHWOLCHGIIQEJ-PWSUYJOCSA-N 1 0 209.264 1.339 10 0 BDAERO CCCN(CC)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000037095324 169116865 /nfs/dbraw/zinc/11/68/65/169116865.db2.gz GPZPIGKHHYYICF-QWRGUYRKSA-N 1 0 212.337 1.633 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH+]1CCN(C2CC2)CC1 ZINC000042490905 183232430 /nfs/dbraw/zinc/23/24/30/183232430.db2.gz SMZLSVBKNXAAIN-OLZOCXBDSA-N 1 0 224.348 1.070 10 0 BDAERO O[C@H]1CCC[C@@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000053924383 183236764 /nfs/dbraw/zinc/23/67/64/183236764.db2.gz ABSCUNAOIBYAGL-KGLIPLIRSA-N 1 0 238.375 1.175 10 0 BDAERO O[C@H]1CCC[C@@H]1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942169 183237208 /nfs/dbraw/zinc/23/72/08/183237208.db2.gz QUICEFGTZGPJLX-MCIONIFRSA-N 1 0 238.375 1.318 10 0 BDAERO Oc1ccc2c(c1)CN1CC[C@H](O)C1=[NH+]2 ZINC000100406453 183279459 /nfs/dbraw/zinc/27/94/59/183279459.db2.gz WEFMOGRHGUPGMA-JTQLQIEISA-N 1 0 204.229 1.002 10 0 biogenic,in-vitro BDAERO O=c1cc(C(F)(F)F)nc(C2CC[NH2+]CC2)[nH]1 ZINC000071396375 183256292 /nfs/dbraw/zinc/25/62/92/183256292.db2.gz PPAPHIRHMKFLEN-UHFFFAOYSA-N 1 0 247.220 1.668 10 0 BDAERO O=c1cc(C(F)(F)F)nc([C@H]2CCC[NH2+]2)[nH]1 ZINC000070947383 183256299 /nfs/dbraw/zinc/25/62/99/183256299.db2.gz WVTAKJCJDYKEAS-RXMQYKEDSA-N 1 0 233.193 1.626 10 0 BDAERO CCCN(Cc1ccc(CC)cc1)C(=O)C[NH3+] ZINC000032089795 169175623 /nfs/dbraw/zinc/17/56/23/169175623.db2.gz PMNWLCFWXSXHIZ-UHFFFAOYSA-N 1 0 234.343 1.946 10 0 BDAERO CCC[N@H+](Cc1ccc(C(N)=O)cc1N)C(C)C ZINC000037273298 169175788 /nfs/dbraw/zinc/17/57/88/169175788.db2.gz DJBZRMKIXUPZDH-UHFFFAOYSA-N 1 0 249.358 1.988 10 0 BDAERO CCC[N@H+](CCN(C)C)[C@@H]1CCCC[C@@H]1O ZINC000045703800 169157246 /nfs/dbraw/zinc/15/72/46/169157246.db2.gz HFKXXEIFVBKFPO-OLZOCXBDSA-N 1 0 228.380 1.564 10 0 BDAERO CCC[N@H+](CCN(C)C)[C@H]1CCCC[C@@H]1O ZINC000045703803 169157439 /nfs/dbraw/zinc/15/74/39/169157439.db2.gz HFKXXEIFVBKFPO-STQMWFEESA-N 1 0 228.380 1.564 10 0 BDAERO CCCN(CC[NH3+])c1cccc(OC)c1 ZINC000076584576 169157620 /nfs/dbraw/zinc/15/76/20/169157620.db2.gz PPXCQFNXDRYCKM-UHFFFAOYSA-N 1 0 208.305 1.870 10 0 BDAERO Oc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1COCCO1 ZINC000038060838 183295714 /nfs/dbraw/zinc/29/57/14/183295714.db2.gz DGYIRPVJFAYGPX-MFKMUULPSA-N 1 0 249.310 1.385 10 0 BDAERO O=c1ccnc(SC2CC[NH2+]CC2)[nH]1 ZINC000043501268 183304625 /nfs/dbraw/zinc/30/46/25/183304625.db2.gz ZGYHXNBJSZUGHD-UHFFFAOYSA-N 1 0 211.290 1.026 10 0 BDAERO CCC[NH+]1CCC(Nc2cn[nH]c2)CC1 ZINC000035764042 169190074 /nfs/dbraw/zinc/19/00/74/169190074.db2.gz VMQPUVIPGZDEGZ-UHFFFAOYSA-N 1 0 208.309 1.696 10 0 BDAERO c1cc(CCNC2=[NH+]CCCS2)ccn1 ZINC000048262845 183338586 /nfs/dbraw/zinc/33/85/86/183338586.db2.gz SAKOYHAQBJUSQG-UHFFFAOYSA-N 1 0 221.329 1.707 10 0 BDAERO CCCNC(=O)C[NH2+][C@H]1CCC[C@H](C)[C@@H]1C ZINC000020055262 169228548 /nfs/dbraw/zinc/22/85/48/169228548.db2.gz WMWZOMRZESEETN-SRVKXCTJSA-N 1 0 226.364 1.927 10 0 BDAERO CCC[N@@H+]1CC[C@@H](N2CCOCC2)C[C@@H]1C ZINC000073655940 169207702 /nfs/dbraw/zinc/20/77/02/169207702.db2.gz XMOZGVBWDAJKOY-QWHCGFSZSA-N 1 0 226.364 1.582 10 0 BDAERO CCCN1CCc2nc([C@H](C)[NH3+])sc2C1 ZINC000041059177 169208061 /nfs/dbraw/zinc/20/80/61/169208061.db2.gz ROWFUNYUPVLIMI-QMMMGPOBSA-N 1 0 225.361 1.931 10 0 BDAERO c1cc(C[NH2+]C[C@H]2CC23CCOCC3)n[nH]1 ZINC000336684455 183350989 /nfs/dbraw/zinc/35/09/89/183350989.db2.gz SROQWFLHUQJWQE-SNVBAGLBSA-N 1 0 221.304 1.316 10 0 BDAERO CCCNC(=O)C[N@H+](C)[C@H](C)c1ccc(N)cc1 ZINC000042517300 169219432 /nfs/dbraw/zinc/21/94/32/169219432.db2.gz KLSDNOOMGDXFQB-LLVKDONJSA-N 1 0 249.358 1.788 10 0 BDAERO CCCNC1(c2nccs2)CC[NH2+]CC1 ZINC000041061307 169254558 /nfs/dbraw/zinc/25/45/58/169254558.db2.gz XRDSRTSKRFRGSV-UHFFFAOYSA-N 1 0 225.361 1.721 10 0 BDAERO CCC[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000020056584 169255471 /nfs/dbraw/zinc/25/54/71/169255471.db2.gz HKUBDTYOQOWVSH-UHFFFAOYSA-N 1 0 206.289 1.933 10 0 BDAERO CCC[NH2+]CCCOC1CCOCC1 ZINC000052597099 169256930 /nfs/dbraw/zinc/25/69/30/169256930.db2.gz CBXURLGOVJDVMZ-UHFFFAOYSA-N 1 0 201.310 1.572 10 0 BDAERO CCC[NH2+]CCCCO[C@H]1CCOC1 ZINC000082455726 169257149 /nfs/dbraw/zinc/25/71/49/169257149.db2.gz GACKCXXFHTVRNK-NSHDSACASA-N 1 0 201.310 1.572 10 0 BDAERO c1cc(CC[NH2+]C2CC2)cc2c1OCC2 ZINC000082954868 183368435 /nfs/dbraw/zinc/36/84/35/183368435.db2.gz MTQGAEQBROGMCQ-UHFFFAOYSA-N 1 0 203.285 1.916 10 0 BDAERO CCC[NH2+]CCOc1nccn(CCC)c1=O ZINC000061771634 169260075 /nfs/dbraw/zinc/26/00/75/169260075.db2.gz ZJNZADCFMIAMOF-UHFFFAOYSA-N 1 0 239.319 1.032 10 0 BDAERO CCC[NH2+]CC[C@H](O)c1ccc(F)c(N)c1 ZINC000098125047 169261127 /nfs/dbraw/zinc/26/11/27/169261127.db2.gz RJNOMQPOBPWELP-LBPRGKRZSA-N 1 0 226.295 1.831 10 0 BDAERO CCC[NH2+]CC[C@@H](O)c1ccc2c(c1)OCO2 ZINC000049828714 169261591 /nfs/dbraw/zinc/26/15/91/169261591.db2.gz FLXBJYXFGVNBFA-LLVKDONJSA-N 1 0 237.299 1.838 10 0 BDAERO CCC[NH2+]C[C@@H]1CCN(Cc2nc(C)no2)C1 ZINC000053034069 169262250 /nfs/dbraw/zinc/26/22/50/169262250.db2.gz BZRGKHUBIUZMAK-NSHDSACASA-N 1 0 238.335 1.200 10 0 BDAERO CCCNC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000037916208 169234310 /nfs/dbraw/zinc/23/43/10/169234310.db2.gz RVKOTMIERFKABT-NWDGAFQWSA-N 1 0 239.363 1.570 10 0 BDAERO c1cc2c(cc1[C@@H]1CSCC[NH2+]1)OCCO2 ZINC000041278836 183372372 /nfs/dbraw/zinc/37/23/72/183372372.db2.gz GCDHAXKCQOSVSX-JTQLQIEISA-N 1 0 237.324 1.835 10 0 BDAERO CCCNC(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000035691097 169238566 /nfs/dbraw/zinc/23/85/66/169238566.db2.gz HQNWHLVDEHXTQW-UWVGGRQHSA-N 1 0 213.325 1.226 10 0 BDAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCC ZINC000034937650 169242590 /nfs/dbraw/zinc/24/25/90/169242590.db2.gz OMXNINMWYHSOBG-VHSXEESVSA-N 1 0 200.326 1.679 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccncc1 ZINC000076610646 169243909 /nfs/dbraw/zinc/24/39/09/169243909.db2.gz CJYIETFVPAJLFT-NSHDSACASA-N 1 0 221.304 1.040 10 0 BDAERO CCCNC(=O)[C@H](C)[NH2+]CCc1ccco1 ZINC000037978073 169246924 /nfs/dbraw/zinc/24/69/24/169246924.db2.gz FAUXDUHAYVQSAY-JTQLQIEISA-N 1 0 224.304 1.326 10 0 BDAERO c1ccc(-c2nc3c(o2)CC[NH2+]C3)nc1 ZINC000082382231 183383192 /nfs/dbraw/zinc/38/31/92/183383192.db2.gz ZJHPSDHKTMCYBV-UHFFFAOYSA-N 1 0 201.229 1.382 10 0 BDAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](CN(C)C)C(C)C ZINC000049205326 169247790 /nfs/dbraw/zinc/24/77/90/169247790.db2.gz NACAVMRZTVQKLH-RYUDHWBXSA-N 1 0 243.395 1.077 10 0 BDAERO c1cc2c(cccc2[C@@H]2C[NH2+]CCO2)[nH]1 ZINC000033886271 183361818 /nfs/dbraw/zinc/36/18/18/183361818.db2.gz LARJZGPFPXHZBE-LBPRGKRZSA-N 1 0 202.257 1.829 10 0 BDAERO CCCNC(=O)c1cccc(OCC[NH3+])c1 ZINC000020228555 169252250 /nfs/dbraw/zinc/25/22/50/169252250.db2.gz RNLKROPOLQNIME-UHFFFAOYSA-N 1 0 222.288 1.164 10 0 BDAERO c1nc2c(nccc2[C@@H]2CC[NH2+]C2)s1 ZINC000074189243 183362678 /nfs/dbraw/zinc/36/26/78/183362678.db2.gz TYZVGPUDNJVPQD-SSDOTTSWSA-N 1 0 205.286 1.768 10 0 BDAERO c1nnc(C[C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000054526697 183386988 /nfs/dbraw/zinc/38/69/88/183386988.db2.gz OIHJSOIMMIBVJH-GFCCVEGCSA-N 1 0 242.326 1.809 10 0 BDAERO CCC[NH2+][C@H](C)c1nnc([C@@H]2COCCO2)o1 ZINC000055305947 169288313 /nfs/dbraw/zinc/28/83/13/169288313.db2.gz FIYLTJBCMDBVNF-BDAKNGLRSA-N 1 0 241.291 1.218 10 0 BDAERO c1noc(C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000042326568 183388694 /nfs/dbraw/zinc/38/86/94/183388694.db2.gz YWSOHLDRPPSCHY-UHFFFAOYSA-N 1 0 229.283 1.739 10 0 BDAERO c1ccc(C2=N[C@H]3CC[NH2+]C[C@H]3S2)cc1 ZINC000064871446 183389451 /nfs/dbraw/zinc/38/94/51/183389451.db2.gz HNCGWLODEDWPHW-WDEREUQCSA-N 1 0 218.325 1.911 10 0 BDAERO c1ccc(CC[NH2+]C[C@H]2CCOC2)cc1 ZINC000019919988 183393954 /nfs/dbraw/zinc/39/39/54/183393954.db2.gz MHQGRSZTUQDHLS-CYBMUJFWSA-N 1 0 205.301 1.855 10 0 BDAERO CCC[NH2+]Cc1nnc(-c2cccc(O)c2)o1 ZINC000050615889 169269019 /nfs/dbraw/zinc/26/90/19/169269019.db2.gz WEHGIBHNLGBJPX-UHFFFAOYSA-N 1 0 233.271 1.942 10 0 BDAERO c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CNCCO2)cc1 ZINC000096895849 183398296 /nfs/dbraw/zinc/39/82/96/183398296.db2.gz PSWSKJYQNGHGOU-CABCVRRESA-N 1 0 246.354 1.639 10 0 BDAERO CCC[NH2+][C@H]1CCCCC[C@@H]1S(C)(=O)=O ZINC000054930519 169290535 /nfs/dbraw/zinc/29/05/35/169290535.db2.gz GUJTXQPBQCTQOS-QWRGUYRKSA-N 1 0 233.377 1.732 10 0 BDAERO CCC[NH2+][C@@H]1CCN(Cc2ncccc2C)C1=O ZINC000070940836 169282805 /nfs/dbraw/zinc/28/28/05/169282805.db2.gz TUCPUIOUIAVNIO-GFCCVEGCSA-N 1 0 247.342 1.491 10 0 BDAERO CCC[NH2+][C@@H]1CCN(c2cnn(CC)c2)C1=O ZINC000049648211 169283312 /nfs/dbraw/zinc/28/33/12/169283312.db2.gz SIMQESYMBGXRLX-LLVKDONJSA-N 1 0 236.319 1.008 10 0 BDAERO CCCO[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC000051783321 169313119 /nfs/dbraw/zinc/31/31/19/169313119.db2.gz NRWCVDDKQACDGF-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CCCOc1cc(CC[NH3+])cc(OC)c1OC ZINC000027749537 169314490 /nfs/dbraw/zinc/31/44/90/169314490.db2.gz LRMHEQAATQTVRI-UHFFFAOYSA-N 1 0 239.315 1.994 10 0 BDAERO CCC[NH2+][C@@H](c1cnn(C)c1)c1cccnc1 ZINC000035584185 169290988 /nfs/dbraw/zinc/29/09/88/169290988.db2.gz KRNPRGQAMKOTLB-CYBMUJFWSA-N 1 0 230.315 1.904 10 0 BDAERO CCCOc1ccc(N(C)C(=O)CC[NH3+])cc1 ZINC000107290746 169319571 /nfs/dbraw/zinc/31/95/71/169319571.db2.gz ALRHHPFTWWOISU-UHFFFAOYSA-N 1 0 236.315 1.787 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)COC ZINC000034938799 169368802 /nfs/dbraw/zinc/36/88/02/169368802.db2.gz BMAAABZZMAYNDY-OUAUKWLOSA-N 1 0 230.352 1.304 10 0 BDAERO c1cnc2[nH]c(NCC3CC[NH2+]CC3)nc2c1 ZINC000095092619 183487500 /nfs/dbraw/zinc/48/75/00/183487500.db2.gz HEDMWCBOSKFWCW-UHFFFAOYSA-N 1 0 231.303 1.369 10 0 BDAERO CCC[C@@H](C(=O)NC[C@@H](C)SC)[NH+](C)C ZINC000120339694 169345722 /nfs/dbraw/zinc/34/57/22/169345722.db2.gz DXMFRUGTNNWTMO-ZJUUUORDSA-N 1 0 232.393 1.584 10 0 BDAERO c1cn(CCC[NH2+]CC2CCOCC2)cn1 ZINC000052175905 183468105 /nfs/dbraw/zinc/46/81/05/183468105.db2.gz YKZFQSHCTBUVGN-UHFFFAOYSA-N 1 0 223.320 1.289 10 0 BDAERO CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCCCOC ZINC000034938775 169370725 /nfs/dbraw/zinc/37/07/25/169370725.db2.gz YELJBIDBOSODCD-MNOVXSKESA-N 1 0 230.352 1.306 10 0 BDAERO c1cnnc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000052831980 183503818 /nfs/dbraw/zinc/50/38/18/183503818.db2.gz AUMXSQHOJHKVHP-JTQLQIEISA-N 1 0 207.277 1.245 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)CCc1ccco1 ZINC000040824978 169390237 /nfs/dbraw/zinc/39/02/37/169390237.db2.gz LLEADCHFDVVKEN-ZYHUDNBSSA-N 1 0 238.331 1.844 10 0 BDAERO Cc1noc(C)c1CN1C[C@@H](F)C[C@@H]1C[NH3+] ZINC000396429949 259600747 /nfs/dbraw/zinc/60/07/47/259600747.db2.gz RBLSMTXIXHUSJY-VHSXEESVSA-N 1 0 227.283 1.163 10 0 BDAERO CCC[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000272299999 169410833 /nfs/dbraw/zinc/41/08/33/169410833.db2.gz CXWJDECTKWVNCK-OLZOCXBDSA-N 1 0 223.316 1.471 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](O)COC ZINC000310042417 169417528 /nfs/dbraw/zinc/41/75/28/169417528.db2.gz ZJIPSWGTMPUNAH-UPJWGTAASA-N 1 0 229.364 1.942 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000310034867 169418093 /nfs/dbraw/zinc/41/80/93/169418093.db2.gz SRICJAZWUKCRNG-UPJWGTAASA-N 1 0 227.348 1.960 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCOCCO ZINC000336768174 169418479 /nfs/dbraw/zinc/41/84/79/169418479.db2.gz TZNDLVGTDHJSHZ-NEPJUHHUSA-N 1 0 215.337 1.554 10 0 BDAERO CC[C@@H](C)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000037394507 170751038 /nfs/dbraw/zinc/75/10/38/170751038.db2.gz NUPJTNIWHHGTEC-GHMZBOCLSA-N 1 0 212.337 1.633 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000390822213 166667059 /nfs/dbraw/zinc/66/70/59/166667059.db2.gz VDLQWFAVDYRRGW-DTWKUNHWSA-N 1 0 226.320 1.781 10 0 BDAERO CCCc1cc(NC(=O)[C@@H]([NH3+])C(C)C)n[nH]1 ZINC000129145789 169566508 /nfs/dbraw/zinc/56/65/08/169566508.db2.gz BBCLSQAARXFYNJ-JTQLQIEISA-N 1 0 224.308 1.284 10 0 BDAERO CCCn1ccnc1C[NH2+]C1(CO)CCCC1 ZINC000061880989 169623517 /nfs/dbraw/zinc/62/35/17/169623517.db2.gz RDZAPEQCMZJYPQ-UHFFFAOYSA-N 1 0 237.347 1.688 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+][C@H]2CCCOC2)C1(C)C ZINC000309586016 532980271 /nfs/dbraw/zinc/98/02/71/532980271.db2.gz RTYQTJKKJNZOKF-FIQHERPVSA-N 1 0 227.348 1.815 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000069796678 383844970 /nfs/dbraw/zinc/84/49/70/383844970.db2.gz AWKWXITXBWLLJK-JQWIXIFHSA-N 1 0 222.336 1.022 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC1=CCCC1 ZINC000401053537 383845673 /nfs/dbraw/zinc/84/56/73/383845673.db2.gz BYIFCRYJEJWGMB-KOLCDFICSA-N 1 0 208.305 1.353 10 0 BDAERO Nc1cc(-c2ccsc2)nn1C[C@H]1CCC[NH2+]1 ZINC000409437454 383846645 /nfs/dbraw/zinc/84/66/45/383846645.db2.gz GRKNHXXATIVKJB-SNVBAGLBSA-N 1 0 248.355 1.946 10 0 BDAERO Cc1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000066327953 383858931 /nfs/dbraw/zinc/85/89/31/383858931.db2.gz ALGAEHWMNZFLNJ-VXGBXAGGSA-N 1 0 202.301 1.651 10 0 BDAERO Cc1cncc(C[N@H+]2CCC[C@H](O)[C@H]2C)c1 ZINC000295842755 383860409 /nfs/dbraw/zinc/86/04/09/383860409.db2.gz CZOPNJYXTGBMNE-YPMHNXCESA-N 1 0 220.316 1.735 10 0 BDAERO CO[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000400218822 383923457 /nfs/dbraw/zinc/92/34/57/383923457.db2.gz HWWWEMRLHCTCIZ-SDDRHHMPSA-N 1 0 213.321 1.162 10 0 BDAERO CC(C)[C@@H]([NH3+])CCN(C)c1ccccn1 ZINC000227738368 134385451 /nfs/dbraw/zinc/38/54/51/134385451.db2.gz QDLUIEMFWKCEMU-NSHDSACASA-N 1 0 207.321 1.891 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc[nH]c1 ZINC000068307649 383984291 /nfs/dbraw/zinc/98/42/91/383984291.db2.gz WELSLLUJXUCRHJ-GFCCVEGCSA-N 1 0 237.347 1.721 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC2=CCCC2)C1 ZINC000401140688 383986444 /nfs/dbraw/zinc/98/64/44/383986444.db2.gz GPTHJTGKCVJPBL-NWDGAFQWSA-N 1 0 211.305 1.178 10 0 BDAERO [NH3+]CCc1n[nH]c2cccc(Br)c21 ZINC000089195770 383942074 /nfs/dbraw/zinc/94/20/74/383942074.db2.gz JEAHTULHJNDANJ-UHFFFAOYSA-N 1 0 240.104 1.827 10 0 BDAERO C[C@@]([NH3+])(CCO)c1nccc2[nH]ccc21 ZINC000089220668 383949947 /nfs/dbraw/zinc/94/99/47/383949947.db2.gz FRWJOSXXVSHBAU-LLVKDONJSA-N 1 0 205.261 1.119 10 0 BDAERO F[C@H]1C[NH2+]CC[C@@H]1c1cnc2cc[nH]c2c1 ZINC000089221406 383950166 /nfs/dbraw/zinc/95/01/66/383950166.db2.gz KIMMHNAWPZBNKO-ZJUUUORDSA-N 1 0 219.263 1.978 10 0 BDAERO F[C@H]1C[NH2+]CC[C@@H]1c1ccc2[nH]ccc2n1 ZINC000089221320 383950327 /nfs/dbraw/zinc/95/03/27/383950327.db2.gz YPXJCORPWOMKNX-IUCAKERBSA-N 1 0 219.263 1.978 10 0 BDAERO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000037207619 383956934 /nfs/dbraw/zinc/95/69/34/383956934.db2.gz GKXWINUGNGRULF-MRVPVSSYSA-N 1 0 242.269 1.704 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000296207847 383966829 /nfs/dbraw/zinc/96/68/29/383966829.db2.gz MJLRUMOBAFXQEG-SMDDNHRTSA-N 1 0 235.327 1.524 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1C ZINC000643614702 384016752 /nfs/dbraw/zinc/01/67/52/384016752.db2.gz IHLSERIHAFJCIN-LBPRGKRZSA-N 1 0 248.326 1.478 10 0 BDAERO O=C(Nc1cccc(F)c1)[C@@H]1C[NH2+]CCOC1 ZINC000643614508 384016769 /nfs/dbraw/zinc/01/67/69/384016769.db2.gz ALSNOJGUINJQRF-SECBINFHSA-N 1 0 238.262 1.000 10 0 BDAERO COCCC1(C(=O)NCC(C)C)CC[NH2+]CC1 ZINC000643615468 384004178 /nfs/dbraw/zinc/00/41/78/384004178.db2.gz MGVKCMGRMRCAEF-UHFFFAOYSA-N 1 0 242.363 1.165 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2cccn2)o1 ZINC000038097534 384071582 /nfs/dbraw/zinc/07/15/82/384071582.db2.gz VLLIVWNWKRPIJA-RYUDHWBXSA-N 1 0 249.314 1.496 10 0 BDAERO CCc1ccc2c(c1)[C@@H]([NH3+])CS(=O)(=O)C2 ZINC000039102564 384103008 /nfs/dbraw/zinc/10/30/08/384103008.db2.gz CSRROTGMWCHJJY-NSHDSACASA-N 1 0 225.313 1.177 10 0 BDAERO CN(CC[NH+](C)C)C(=O)c1ccccc1C=O ZINC000039320514 384111615 /nfs/dbraw/zinc/11/16/15/384111615.db2.gz CEFSBPVZZKJNLD-UHFFFAOYSA-N 1 0 234.299 1.133 10 0 BDAERO C[C@H]1OCC[C@]1(O)C[NH2+]CC1CCC(C)CC1 ZINC000227973167 134395932 /nfs/dbraw/zinc/39/59/32/134395932.db2.gz CLGHPNRQGAULRP-HHTDUIENSA-N 1 0 241.375 1.942 10 0 BDAERO Cc1nc(N[C@@H](C)C[NH3+])ccc1Br ZINC000235107483 384196159 /nfs/dbraw/zinc/19/61/59/384196159.db2.gz XDPZSQNUOCKVRE-LURJTMIESA-N 1 0 244.136 1.912 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1cccs1)n1ccnc1 ZINC000043106991 384199322 /nfs/dbraw/zinc/19/93/22/384199322.db2.gz JKCXSVVELOGKFU-SCZZXKLOSA-N 1 0 207.302 1.881 10 0 BDAERO Cc1noc(C)c1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282308366 384231060 /nfs/dbraw/zinc/23/10/60/384231060.db2.gz KFIRDCXBBROESG-KWQFWETISA-N 1 0 237.303 1.048 10 0 BDAERO C[C@H]([NH3+])C(=O)Nc1ccncc1Br ZINC000126965581 384231260 /nfs/dbraw/zinc/23/12/60/384231260.db2.gz JVSTYGUGSODZRC-YFKPBYRVSA-N 1 0 244.092 1.130 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccs1 ZINC000081899152 384211630 /nfs/dbraw/zinc/21/16/30/384211630.db2.gz CCBQDUUHAGISBO-DTWKUNHWSA-N 1 0 247.385 1.832 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC000282391823 384259783 /nfs/dbraw/zinc/25/97/83/384259783.db2.gz PBCVWCICNFTCKQ-AAEUAGOBSA-N 1 0 232.327 1.486 10 0 BDAERO [NH3+]C[C@@H](O)c1ccc(Br)s1 ZINC000043265227 384267420 /nfs/dbraw/zinc/26/74/20/384267420.db2.gz LYVCMUPALSKCNE-SCSAIBSYSA-N 1 0 222.107 1.503 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cncs1 ZINC000282419988 384271679 /nfs/dbraw/zinc/27/16/79/384271679.db2.gz SPPHNDJMBBPQQA-VGMNWLOBSA-N 1 0 239.344 1.461 10 0 BDAERO C[C@@H](O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082993997 384272935 /nfs/dbraw/zinc/27/29/35/384272935.db2.gz LISMKBHEWCTEIN-YTWAJWBKSA-N 1 0 213.321 1.160 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cncs1 ZINC000282419991 384273636 /nfs/dbraw/zinc/27/36/36/384273636.db2.gz SPPHNDJMBBPQQA-XHNCKOQMSA-N 1 0 239.344 1.461 10 0 BDAERO CN(Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000043501398 384281061 /nfs/dbraw/zinc/28/10/61/384281061.db2.gz DDDNDGDXOLYSDM-LBPRGKRZSA-N 1 0 205.305 1.265 10 0 BDAERO CCC[C@H](C(=O)N1CCO[C@H](CC)C1)[NH+](C)C ZINC000179394162 384285613 /nfs/dbraw/zinc/28/56/13/384285613.db2.gz YFCACFVCUURNMH-VXGBXAGGSA-N 1 0 242.363 1.354 10 0 BDAERO [NH3+]C[C@H](Nc1ncnc2nc[nH]c21)C1CCCC1 ZINC000236243036 384290109 /nfs/dbraw/zinc/29/01/09/384290109.db2.gz PBRJYVXJSOHDGF-VIFPVBQESA-N 1 0 246.318 1.282 10 0 BDAERO C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1cccnc1 ZINC000133603194 384303593 /nfs/dbraw/zinc/30/35/93/384303593.db2.gz HYDJJJMFCVXONE-BXUZGUMPSA-N 1 0 247.342 1.791 10 0 BDAERO Cc1nccnc1N1CCCC[C@H]1C[NH3+] ZINC000095069440 384335204 /nfs/dbraw/zinc/33/52/04/384335204.db2.gz VUJSDKPDYINQFQ-JTQLQIEISA-N 1 0 206.293 1.103 10 0 BDAERO Clc1ccc(SC[C@@H]2CC[NH2+]C2)nn1 ZINC000095069987 384335620 /nfs/dbraw/zinc/33/56/20/384335620.db2.gz WAKPLSGTXNMBIB-SSDOTTSWSA-N 1 0 229.736 1.832 10 0 BDAERO CN(c1nc2cccnc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000095070529 384336429 /nfs/dbraw/zinc/33/64/29/384336429.db2.gz TWLNXLLSPAGIBO-SECBINFHSA-N 1 0 231.303 1.098 10 0 BDAERO Cn1c2ccccc2nc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000335576305 384337463 /nfs/dbraw/zinc/33/74/63/384337463.db2.gz BDVLRICBUCDOGZ-QWRGUYRKSA-N 1 0 244.342 1.535 10 0 BDAERO Clc1ncc(CO[C@H]2CC[NH2+]C2)c(Cl)n1 ZINC000095070207 384337462 /nfs/dbraw/zinc/33/74/62/384337462.db2.gz GDDMYNNDPIKYOJ-ZETCQYMHSA-N 1 0 248.113 1.662 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)c1ncc(Cl)cn1 ZINC000095071215 384338384 /nfs/dbraw/zinc/33/83/84/384338384.db2.gz FGGIVYKTQACSSQ-QMMMGPOBSA-N 1 0 226.711 1.176 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)c1nc2ccccc2o1 ZINC000095071263 384338846 /nfs/dbraw/zinc/33/88/46/384338846.db2.gz SVFHMZNMIVCWID-JTQLQIEISA-N 1 0 231.299 1.874 10 0 BDAERO CN(C[C@@H]1CC[NH2+]C1)c1nc2cccnc2[nH]1 ZINC000095071266 384340467 /nfs/dbraw/zinc/34/04/67/384340467.db2.gz VXXDLTWSQHUKET-SECBINFHSA-N 1 0 231.303 1.004 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000095071435 384340832 /nfs/dbraw/zinc/34/08/32/384340832.db2.gz DZXODVMDYKEMPB-MRVPVSSYSA-N 1 0 226.711 1.318 10 0 BDAERO CN(Cc1cnc(Cl)s1)C[C@@H]1CC[NH2+]C1 ZINC000095071296 384340999 /nfs/dbraw/zinc/34/09/99/384340999.db2.gz AACOUCAXXMHSID-MRVPVSSYSA-N 1 0 245.779 1.838 10 0 BDAERO COc1nccnc1COC[C@H]1CCCC[NH2+]1 ZINC000095071644 384341241 /nfs/dbraw/zinc/34/12/41/384341241.db2.gz PYPICMSCKXMXIU-SNVBAGLBSA-N 1 0 237.303 1.144 10 0 BDAERO C[NH2+][C@@H]1CCCN(Cc2ccnc(Cl)n2)C1 ZINC000095071505 384341559 /nfs/dbraw/zinc/34/15/59/384341559.db2.gz WXLGVAXWBTYPNN-SECBINFHSA-N 1 0 240.738 1.314 10 0 BDAERO Nc1nc2ccccc2nc1NC1CC[NH2+]CC1 ZINC000095072169 384343502 /nfs/dbraw/zinc/34/35/02/384343502.db2.gz HNLQDHHLEKLFKF-UHFFFAOYSA-N 1 0 243.314 1.376 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ncccc1O ZINC000095072226 384343588 /nfs/dbraw/zinc/34/35/88/384343588.db2.gz ZVSDAJVIKAJQOP-BDAKNGLRSA-N 1 0 207.277 1.469 10 0 BDAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000095073152 384348419 /nfs/dbraw/zinc/34/84/19/384348419.db2.gz QXHIQQXVPOCIBJ-MRVPVSSYSA-N 1 0 246.357 1.059 10 0 BDAERO O=[S@@](Cc1cccnc1)C1CC[NH2+]CC1 ZINC000095073443 384348431 /nfs/dbraw/zinc/34/84/31/384348431.db2.gz OGYXRKIBWMETGV-OAHLLOKOSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](Cc1ccncc1)C[C@@H]1CCCC[NH2+]1 ZINC000095073516 384348763 /nfs/dbraw/zinc/34/87/63/384348763.db2.gz AWIJXBQBGOELJV-LRDDRELGSA-N 1 0 238.356 1.472 10 0 BDAERO O=[S@](Cc1cncs1)C[C@@H]1CC[NH2+]C1 ZINC000095073700 384349661 /nfs/dbraw/zinc/34/96/61/384349661.db2.gz PNRSIUXPNJGZIY-XLKFXECMSA-N 1 0 230.358 1.001 10 0 BDAERO Oc1cccnc1NCC1CC[NH2+]CC1 ZINC000095073836 384349935 /nfs/dbraw/zinc/34/99/35/384349935.db2.gz YGFWOARJPNSGBB-UHFFFAOYSA-N 1 0 207.277 1.199 10 0 BDAERO O=[S@](Cc1cncs1)C[C@H]1CC[NH2+]C1 ZINC000095073702 384351027 /nfs/dbraw/zinc/35/10/27/384351027.db2.gz PNRSIUXPNJGZIY-RMLUDKJBSA-N 1 0 230.358 1.001 10 0 BDAERO Oc1cccnc1NC[C@@H]1CCCC[NH2+]1 ZINC000095073828 384351256 /nfs/dbraw/zinc/35/12/56/384351256.db2.gz RNHOFGWRMCDLKL-VIFPVBQESA-N 1 0 207.277 1.341 10 0 BDAERO [NH3+][C@H](CCO)[C@@H]1CCCCN1Cc1ccccc1 ZINC000095077228 384353118 /nfs/dbraw/zinc/35/31/18/384353118.db2.gz MGUFXDGIOHHUKA-CABCVRRESA-N 1 0 248.370 1.751 10 0 BDAERO FC(F)(F)NC[C@H]1CCC[N@@H+](C2CC2)C1 ZINC000095077057 384353304 /nfs/dbraw/zinc/35/33/04/384353304.db2.gz MRAWPDMZZOGBSI-MRVPVSSYSA-N 1 0 222.254 1.970 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1cccc(F)c1 ZINC000255084352 384357510 /nfs/dbraw/zinc/35/75/10/384357510.db2.gz XLBKMVIAOPGHAC-WWQCOOJYSA-N 1 0 236.290 1.692 10 0 BDAERO CC(=O)N(C[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000095082783 384361205 /nfs/dbraw/zinc/36/12/05/384361205.db2.gz BHFRKNWGITYJMN-ZETCQYMHSA-N 1 0 210.199 1.107 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1nccs1 ZINC000335598893 384370082 /nfs/dbraw/zinc/37/00/82/384370082.db2.gz ZGJNVQANBRRCLV-DTWKUNHWSA-N 1 0 239.344 1.147 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC1CCOCC1 ZINC000335598899 384370312 /nfs/dbraw/zinc/37/03/12/384370312.db2.gz ZPAZAVQFWHRTJW-CMPLNLGQSA-N 1 0 213.321 1.258 10 0 BDAERO C[C@@H]1[C@@H](O)CCCN1Cc1nc2ccccc2[nH]1 ZINC000335598897 384370566 /nfs/dbraw/zinc/37/05/66/384370566.db2.gz ZOLNVNYMIQKEPD-MFKMUULPSA-N 1 0 245.326 1.908 10 0 BDAERO C[C@@H](N[C@H]1CCCC[C@@H]1[NH3+])c1cnccn1 ZINC000095068323 384330655 /nfs/dbraw/zinc/33/06/55/384330655.db2.gz VLJHWKMPVUHAHI-VWYCJHECSA-N 1 0 220.320 1.397 10 0 BDAERO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068375 384331236 /nfs/dbraw/zinc/33/12/36/384331236.db2.gz OPGHEEIQYQIDLS-MNOVXSKESA-N 1 0 220.320 1.127 10 0 BDAERO Cc1ccc(OCCCC2CC[NH2+]CC2)nn1 ZINC000095069140 384331993 /nfs/dbraw/zinc/33/19/93/384331993.db2.gz JZCYZJGYOVRFCH-UHFFFAOYSA-N 1 0 235.331 1.944 10 0 BDAERO Cc1cnc(N[C@H]2CC[NH2+]C2)nc1Cl ZINC000095069316 384332326 /nfs/dbraw/zinc/33/23/26/384332326.db2.gz ZDAQOHSZYOKNGE-ZETCQYMHSA-N 1 0 212.684 1.212 10 0 BDAERO COC(=O)c1cccc2n[nH]c(C[C@H](C)[NH3+])c21 ZINC000044463439 384333297 /nfs/dbraw/zinc/33/32/97/384333297.db2.gz SRGXFEDSUBWIBP-ZETCQYMHSA-N 1 0 233.271 1.239 10 0 BDAERO Clc1cc(NC[C@@H]2CCC[NH2+]2)ncn1 ZINC000095069819 384333937 /nfs/dbraw/zinc/33/39/37/384333937.db2.gz HRZCWYDMTSQEIE-ZETCQYMHSA-N 1 0 212.684 1.294 10 0 BDAERO Cc1cnc(O[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000095069340 384333981 /nfs/dbraw/zinc/33/39/81/384333981.db2.gz CYRSOUGUSHONSF-MRVPVSSYSA-N 1 0 227.695 1.569 10 0 BDAERO Clc1cnc(OCC2CC[NH2+]CC2)nc1 ZINC000095070055 384333997 /nfs/dbraw/zinc/33/39/97/384333997.db2.gz HJYAQPGXISFKGD-UHFFFAOYSA-N 1 0 227.695 1.508 10 0 BDAERO Cc1ccc2[nH]c(C3=[NH+]CCN3)nc2c1 ZINC000095922517 384409713 /nfs/dbraw/zinc/40/97/13/384409713.db2.gz WZPLUFLCMFCCRA-UHFFFAOYSA-N 1 0 200.245 1.221 10 0 BDAERO Nc1ccc2c(C3CC[NH2+]CC3)c[nH]c2n1 ZINC000095936862 384415386 /nfs/dbraw/zinc/41/53/86/384415386.db2.gz OCFGJYKAQDYOAQ-UHFFFAOYSA-N 1 0 216.288 1.612 10 0 BDAERO Clc1nc2ccccc2nc1[C@@H]1C[NH2+]CCO1 ZINC000095496279 384379621 /nfs/dbraw/zinc/37/96/21/384379621.db2.gz QJMLPAUATOQQJJ-JTQLQIEISA-N 1 0 249.701 1.944 10 0 BDAERO Cc1ccnc(N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000335657241 384455418 /nfs/dbraw/zinc/45/54/18/384455418.db2.gz PEZYEWHULDGFSR-WDEREUQCSA-N 1 0 205.305 1.800 10 0 BDAERO COCC[NH2+]CCNc1ncnc2ccccc21 ZINC000215519159 384465305 /nfs/dbraw/zinc/46/53/05/384465305.db2.gz WCHVPVSXPVXFHF-UHFFFAOYSA-N 1 0 246.314 1.278 10 0 BDAERO Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)[nH]n1 ZINC000148889359 384470453 /nfs/dbraw/zinc/47/04/53/384470453.db2.gz ZIMZDZUVVOTVGT-UHFFFAOYSA-N 1 0 248.330 1.028 10 0 BDAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCNC1=O)CC2 ZINC000149389224 384477443 /nfs/dbraw/zinc/47/74/43/384477443.db2.gz VMGCDXBIQBAIII-ZIAGYGMSSA-N 1 0 244.338 1.851 10 0 BDAERO CC[C@H](C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000238306574 384499127 /nfs/dbraw/zinc/49/91/27/384499127.db2.gz SGMVMIKNEBOTNH-MMWGEVLESA-N 1 0 210.321 1.513 10 0 BDAERO CCN(CC)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000037490573 384506680 /nfs/dbraw/zinc/50/66/80/384506680.db2.gz XJQOKAHFHNKGTA-VXGBXAGGSA-N 1 0 214.353 1.221 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cncn1C ZINC000085168926 384506965 /nfs/dbraw/zinc/50/69/65/384506965.db2.gz DTXKSRFYXPSZIY-JQWIXIFHSA-N 1 0 222.336 1.022 10 0 BDAERO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(O)cc1 ZINC000019391427 384518178 /nfs/dbraw/zinc/51/81/78/384518178.db2.gz WKGWZKNTYFKDKV-SNVBAGLBSA-N 1 0 234.299 1.122 10 0 BDAERO C([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)C1CCOCC1 ZINC000249969842 384529495 /nfs/dbraw/zinc/52/94/95/384529495.db2.gz KJOYPQPDUXIXHT-YNEHKIRRSA-N 1 0 225.332 1.570 10 0 BDAERO Cc1cc(C)cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000184002501 384549343 /nfs/dbraw/zinc/54/93/43/384549343.db2.gz WRMSUYTZJKNMBZ-ZIAGYGMSSA-N 1 0 235.327 1.231 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400641313 384556304 /nfs/dbraw/zinc/55/63/04/384556304.db2.gz SFVOFKOKCHRNGL-TUAOUCFPSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000309744115 384575208 /nfs/dbraw/zinc/57/52/08/384575208.db2.gz FBKYPPGVXCQRST-UWVGGRQHSA-N 1 0 228.336 1.058 10 0 BDAERO CC(C)([NH3+])c1cn(CCC[C@@H]2CCOC2)nn1 ZINC000400660961 384585025 /nfs/dbraw/zinc/58/50/25/384585025.db2.gz WLQODDOSRBGRFX-SNVBAGLBSA-N 1 0 238.335 1.289 10 0 BDAERO CCSCC[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000308276470 384565380 /nfs/dbraw/zinc/56/53/80/384565380.db2.gz VYGVAFNFVGJABJ-SNVBAGLBSA-N 1 0 202.367 1.375 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)COCc1ccccc1 ZINC000404372618 384615801 /nfs/dbraw/zinc/61/58/01/384615801.db2.gz WZFUDPUKWIFYEA-DGCLKSJQSA-N 1 0 248.326 1.151 10 0 BDAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)COC ZINC000103520319 384627936 /nfs/dbraw/zinc/62/79/36/384627936.db2.gz UAPWFZRSUUPXAO-MNOVXSKESA-N 1 0 230.352 1.115 10 0 BDAERO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc[nH]1 ZINC000100248170 384628371 /nfs/dbraw/zinc/62/83/71/384628371.db2.gz UTRSHGDRNPLYBR-GARJFASQSA-N 1 0 208.305 1.969 10 0 BDAERO CC(N)=CC(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000100369977 384637717 /nfs/dbraw/zinc/63/77/17/384637717.db2.gz UECDKJVOYBYWQP-ZRDIBKRKSA-N 1 0 248.326 1.524 10 0 BDAERO O=C1N[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000100385481 384637962 /nfs/dbraw/zinc/63/79/62/384637962.db2.gz BJIARHXPANJFCV-QWHCGFSZSA-N 1 0 230.311 1.397 10 0 BDAERO C[C@@]([NH3+])(CO)[C@H]1CCc2cc(O)ccc2C1 ZINC000082048715 384645469 /nfs/dbraw/zinc/64/54/69/384645469.db2.gz ROQUHQOMQGBKNK-WCQYABFASA-N 1 0 221.300 1.207 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H](c2cccc(C)c2)C1 ZINC000082162769 384646916 /nfs/dbraw/zinc/64/69/16/384646916.db2.gz VEBBMGIECHEYLT-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)C[C@H]1Oc2ccccc2[C@H]1[NH3+] ZINC000082162612 384648601 /nfs/dbraw/zinc/64/86/01/384648601.db2.gz JUUWPGXFNPVDEV-MWLCHTKSSA-N 1 0 207.229 1.011 10 0 BDAERO [NH3+]Cc1cn(Cc2ccc(F)cc2F)nn1 ZINC000050886541 384649763 /nfs/dbraw/zinc/64/97/63/384649763.db2.gz CNUSQMYVJOPENS-UHFFFAOYSA-N 1 0 224.214 1.063 10 0 BDAERO Cc1ccc(CN[C@H]2CCC[NH2+]CC2)nc1C ZINC000313791490 384658714 /nfs/dbraw/zinc/65/87/14/384658714.db2.gz CTUXXIJXHUTUPQ-ZDUSSCGKSA-N 1 0 233.359 1.930 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000335912968 384678236 /nfs/dbraw/zinc/67/82/36/384678236.db2.gz OHBMWOGYEVDFNY-WPRPVWTQSA-N 1 0 210.321 1.432 10 0 BDAERO [NH3+]C1CC(C(=O)NCc2ccccc2)C1 ZINC000258854194 384679889 /nfs/dbraw/zinc/67/98/89/384679889.db2.gz XYAHSJHGOZJOJJ-UHFFFAOYSA-N 1 0 204.273 1.040 10 0 BDAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H]1C ZINC000104406143 384683819 /nfs/dbraw/zinc/68/38/19/384683819.db2.gz VPLIFYPLKUBHMA-HBNTYKKESA-N 1 0 210.321 1.385 10 0 BDAERO Cc1cc(C)c(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(C)c1 ZINC000185131055 384684956 /nfs/dbraw/zinc/68/49/56/384684956.db2.gz DWPUPGZBDFXTFV-KGLIPLIRSA-N 1 0 249.354 1.539 10 0 BDAERO Cc1cc(C)nc(N(C)[C@H]2CCC[NH2+]C2)n1 ZINC000082500151 384686576 /nfs/dbraw/zinc/68/65/76/384686576.db2.gz VPTKWTQOMKREGU-NSHDSACASA-N 1 0 220.320 1.282 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](OC)CC1 ZINC000363937645 384688138 /nfs/dbraw/zinc/68/81/38/384688138.db2.gz HYNSXBAJAXZREI-RYUDHWBXSA-N 1 0 215.337 1.648 10 0 BDAERO c1cnc(OCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000051871242 384696760 /nfs/dbraw/zinc/69/67/60/384696760.db2.gz LVGKDWRIRRCHGH-JTQLQIEISA-N 1 0 207.277 1.388 10 0 BDAERO Cc1ccnc(OC[C@@H]2CCCC[NH2+]2)c1 ZINC000051883557 384697709 /nfs/dbraw/zinc/69/77/09/384697709.db2.gz JPRNMZVWAMBSGW-NSHDSACASA-N 1 0 206.289 1.911 10 0 BDAERO Cc1ccc(OCC[C@@H]2CCC[NH2+]C2)nn1 ZINC000051918473 384699392 /nfs/dbraw/zinc/69/93/92/384699392.db2.gz DEZUZSABIUAEOH-NSHDSACASA-N 1 0 221.304 1.554 10 0 BDAERO [NH3+]C[C@@H]1C[C@H]2Cc3c4ccccc4[nH]c3CN2C1 ZINC000102132645 384699831 /nfs/dbraw/zinc/69/98/31/384699831.db2.gz SWGYRTDBCKJJOX-QWRGUYRKSA-N 1 0 241.338 1.873 10 0 BDAERO c1cncc(COCC[C@H]2CCC[NH2+]C2)c1 ZINC000051917956 384701870 /nfs/dbraw/zinc/70/18/70/384701870.db2.gz GGCGWMPTMPUMMO-GFCCVEGCSA-N 1 0 220.316 1.988 10 0 BDAERO CC(C)=CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000309909947 384705529 /nfs/dbraw/zinc/70/55/29/384705529.db2.gz MBZGNLXPMMMWCI-MNOVXSKESA-N 1 0 208.305 1.163 10 0 BDAERO N[C@H](C[NH3+])Cc1ccc(Cl)c(F)c1F ZINC000044477383 384740472 /nfs/dbraw/zinc/74/04/72/384740472.db2.gz IBCFKDFFLJONHP-LURJTMIESA-N 1 0 220.650 1.447 10 0 BDAERO Cc1ncccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000334843502 384744955 /nfs/dbraw/zinc/74/49/55/384744955.db2.gz SILHSPCXJIZGEI-CMPLNLGQSA-N 1 0 233.315 1.147 10 0 BDAERO CCOC[C@@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000309984971 384763866 /nfs/dbraw/zinc/76/38/66/384763866.db2.gz XWUUSJCSUZKRQK-VXGBXAGGSA-N 1 0 227.348 1.818 10 0 BDAERO [NH3+][C@H](CO)c1cccc(F)c1Br ZINC000072198740 384815855 /nfs/dbraw/zinc/81/58/55/384815855.db2.gz KSTWIVUAXRGCID-SSDOTTSWSA-N 1 0 234.068 1.580 10 0 BDAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(C)=O ZINC000375871491 384825518 /nfs/dbraw/zinc/82/55/18/384825518.db2.gz CTGQAUHKDMCVLU-NWDGAFQWSA-N 1 0 210.321 1.482 10 0 BDAERO CC[C@@H](C)CN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643688816 384827424 /nfs/dbraw/zinc/82/74/24/384827424.db2.gz KYBKJESNUWVRDH-YPMHNXCESA-N 1 0 242.363 1.260 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ncn(C)n1 ZINC000310021082 384786099 /nfs/dbraw/zinc/78/60/99/384786099.db2.gz NJXTUDRNAPNXDV-GHMZBOCLSA-N 1 0 222.336 1.874 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ncn(C)n1 ZINC000310021085 384787785 /nfs/dbraw/zinc/78/77/85/384787785.db2.gz NJXTUDRNAPNXDV-WDEREUQCSA-N 1 0 222.336 1.874 10 0 BDAERO CCCC[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000105834310 384801601 /nfs/dbraw/zinc/80/16/01/384801601.db2.gz SUFFKZBKZWMJPH-GFCCVEGCSA-N 1 0 214.353 1.439 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])CC(F)F ZINC000648193650 384808431 /nfs/dbraw/zinc/80/84/31/384808431.db2.gz HCNDROGJWVQTGQ-LPEHRKFASA-N 1 0 248.317 1.769 10 0 BDAERO [NH3+][C@@H](CO)c1c(F)ccc(F)c1Cl ZINC000072198055 384811249 /nfs/dbraw/zinc/81/12/49/384811249.db2.gz DOSICJWIUSKCGF-LURJTMIESA-N 1 0 207.607 1.610 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)CC(F)F ZINC000648193967 384812579 /nfs/dbraw/zinc/81/25/79/384812579.db2.gz OXEYCVJIKCSYKW-YUMQZZPRSA-N 1 0 220.263 1.003 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCc2ccccc2)C1 ZINC000310189620 384885867 /nfs/dbraw/zinc/88/58/67/384885867.db2.gz YKNHINBJWHVUDD-UONOGXRCSA-N 1 0 235.327 1.311 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000335144751 384839291 /nfs/dbraw/zinc/83/92/91/384839291.db2.gz SCSQZUDSXXRFOD-CBAPKCEASA-N 1 0 242.706 1.690 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)O1 ZINC000151851790 384843137 /nfs/dbraw/zinc/84/31/37/384843137.db2.gz NKBLJDBVOFNSMM-GRYCIOLGSA-N 1 0 240.347 1.107 10 0 BDAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(N)=O ZINC000112516437 384858355 /nfs/dbraw/zinc/85/83/55/384858355.db2.gz UMRXGBQOORSJHN-HQJQHLMTSA-N 1 0 242.269 1.879 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000312893129 384859151 /nfs/dbraw/zinc/85/91/51/384859151.db2.gz ZYTGEPWXZYFGKP-GXSJLCMTSA-N 1 0 243.738 1.382 10 0 BDAERO Cn1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085604556 384956103 /nfs/dbraw/zinc/95/61/03/384956103.db2.gz AGGJKCSTSGYZIO-STQMWFEESA-N 1 0 222.332 1.666 10 0 BDAERO C[C@@H]1CCCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643693442 384900044 /nfs/dbraw/zinc/90/00/44/384900044.db2.gz MZOREJOWTCZKAF-VXGBXAGGSA-N 1 0 240.347 1.014 10 0 BDAERO Cc1nnc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000301612773 384904526 /nfs/dbraw/zinc/90/45/26/384904526.db2.gz SQCWWZIXFGPKSS-WCBMZHEXSA-N 1 0 240.376 1.987 10 0 BDAERO Cc1nnc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)s1 ZINC000301612772 384905028 /nfs/dbraw/zinc/90/50/28/384905028.db2.gz SQCWWZIXFGPKSS-SCZZXKLOSA-N 1 0 240.376 1.987 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2c1cnn2C ZINC000249913696 384910103 /nfs/dbraw/zinc/91/01/03/384910103.db2.gz WUWSDUJRUXCIDC-DVVUODLYSA-N 1 0 205.305 1.796 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2c1cnn2C ZINC000249913698 384910721 /nfs/dbraw/zinc/91/07/21/384910721.db2.gz WUWSDUJRUXCIDC-MIMYLULJSA-N 1 0 205.305 1.796 10 0 BDAERO Cc1cc(C[NH3+])nc(-c2ccsc2)n1 ZINC000054830669 384914151 /nfs/dbraw/zinc/91/41/51/384914151.db2.gz VSWANTBJRBFQLJ-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO Cn1c2ccccc2nc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000335578769 384932175 /nfs/dbraw/zinc/93/21/75/384932175.db2.gz GSFFXPCOWWJUMF-WDEREUQCSA-N 1 0 244.342 1.677 10 0 BDAERO COc1cc(C)nc(NCC2CC[NH2+]CC2)n1 ZINC000164163475 384932775 /nfs/dbraw/zinc/93/27/75/384932775.db2.gz NTWSWJCKRDPWHQ-UHFFFAOYSA-N 1 0 236.319 1.205 10 0 BDAERO COC(=O)[C@]1(c2cccc(Cl)c2)CC[NH2+]C1 ZINC000260536240 384945992 /nfs/dbraw/zinc/94/59/92/384945992.db2.gz LRWPIPRIYXEVCG-GFCCVEGCSA-N 1 0 239.702 1.744 10 0 BDAERO C[NH2+]CCCNc1ccc(Br)cn1 ZINC000259945281 384966485 /nfs/dbraw/zinc/96/64/85/384966485.db2.gz GHBJZFFRPDJWIA-UHFFFAOYSA-N 1 0 244.136 1.866 10 0 BDAERO C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)[NH3+] ZINC000404383130 384972987 /nfs/dbraw/zinc/97/29/87/384972987.db2.gz DFFYQZIZUJSWNX-WDEREUQCSA-N 1 0 236.315 1.055 10 0 BDAERO c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCSC1)CC2 ZINC000134811081 134437623 /nfs/dbraw/zinc/43/76/23/134437623.db2.gz RSMZHIXRJOVVDF-UWVGGRQHSA-N 1 0 238.360 1.078 10 0 BDAERO FCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000127999328 384979897 /nfs/dbraw/zinc/97/98/97/384979897.db2.gz ZQUPFHWKOAMDDY-UHFFFAOYSA-N 1 0 238.310 1.713 10 0 BDAERO COC[C@@H]([NH2+]CC1CC(O)C1)C(C)C ZINC000087481512 384980030 /nfs/dbraw/zinc/98/00/30/384980030.db2.gz CTKPAUSRYSCIKN-VQXHTEKXSA-N 1 0 201.310 1.018 10 0 BDAERO O=S1(=O)CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304542048 384980592 /nfs/dbraw/zinc/98/05/92/384980592.db2.gz IUTQIGZKXDFRLT-QCNOEVLYSA-N 1 0 243.372 1.342 10 0 BDAERO Cn1nccc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000305734867 385022395 /nfs/dbraw/zinc/02/23/95/385022395.db2.gz PCRXUORBVVUEDD-TZMCWYRMSA-N 1 0 249.358 1.547 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000062706010 384994610 /nfs/dbraw/zinc/99/46/10/384994610.db2.gz LXPVHKWAPVXVAA-IGJIYHIXSA-N 1 0 205.179 1.485 10 0 BDAERO COC[C@@H](C)OC[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339502896 385003611 /nfs/dbraw/zinc/00/36/11/385003611.db2.gz FKJRUTMKEHCDIN-NEPJUHHUSA-N 1 0 245.363 1.177 10 0 BDAERO C[N@@H+]1CCCC(C)(C)[C@H]1CNC1COC1 ZINC000309167260 385051154 /nfs/dbraw/zinc/05/11/54/385051154.db2.gz JONXAXCKMPNFSV-LLVKDONJSA-N 1 0 212.337 1.095 10 0 BDAERO Cc1cc2c(N[C@H](C)CC[NH3+])nccn2n1 ZINC000157030665 385051320 /nfs/dbraw/zinc/05/13/20/385051320.db2.gz SIJCHBKAINMNGA-MRVPVSSYSA-N 1 0 219.292 1.187 10 0 BDAERO C[C@H](CCCC[NH3+])Nc1ncnc2nc[nH]c21 ZINC000310441521 385061707 /nfs/dbraw/zinc/06/17/07/385061707.db2.gz SNXKCPYOXKXDMH-MRVPVSSYSA-N 1 0 234.307 1.282 10 0 BDAERO COC1(CCN2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000310451625 385070321 /nfs/dbraw/zinc/07/03/21/385070321.db2.gz BSQLUCNGMSOIBI-CYBMUJFWSA-N 1 0 238.375 1.726 10 0 BDAERO c1cn2c(n1)CC[C@H]([NH2+]C1CCSCC1)C2 ZINC000377489893 385075064 /nfs/dbraw/zinc/07/50/64/385075064.db2.gz ATSPGEQNLRNPPT-NSHDSACASA-N 1 0 237.372 1.683 10 0 BDAERO CN(Cc1ccns1)[C@@H]1CCC[NH2+]CC1 ZINC000404513128 385025774 /nfs/dbraw/zinc/02/57/74/385025774.db2.gz SDQBNWPUAFZQSA-SNVBAGLBSA-N 1 0 225.361 1.717 10 0 BDAERO C[C@@H]([NH2+]CCn1cncn1)c1ccco1 ZINC000053500689 385027880 /nfs/dbraw/zinc/02/78/80/385027880.db2.gz ZGBSWNMCHRLWMV-SECBINFHSA-N 1 0 206.249 1.222 10 0 BDAERO C[C@H](C[NH3+])N(C)c1ccnc2cccnc21 ZINC000341043438 385106698 /nfs/dbraw/zinc/10/66/98/385106698.db2.gz RFRCFOJKDKZHRK-SECBINFHSA-N 1 0 216.288 1.413 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCCCF)C1 ZINC000308813084 385182088 /nfs/dbraw/zinc/18/20/88/385182088.db2.gz DFSRWCZQXFCMOH-WDEREUQCSA-N 1 0 219.300 1.208 10 0 BDAERO [NH3+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000062705855 385183027 /nfs/dbraw/zinc/18/30/27/385183027.db2.gz QKKOAZYOGVEDSP-ZETCQYMHSA-N 1 0 219.206 1.214 10 0 BDAERO c1cncc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000308824529 385186735 /nfs/dbraw/zinc/18/67/35/385186735.db2.gz DEOCRMIBODROCJ-CNDDSTCGSA-N 1 0 204.273 1.064 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000308821671 385192331 /nfs/dbraw/zinc/19/23/31/385192331.db2.gz CEWSXHMOFUZZRJ-VPOLOUISSA-N 1 0 210.321 1.432 10 0 BDAERO Cc1nc(N2C[C@@H]([NH3+])C[C@H]2C)sc1C ZINC000307590154 385199036 /nfs/dbraw/zinc/19/90/36/385199036.db2.gz BPQCSLOSCSMTCZ-MUWHJKNJSA-N 1 0 211.334 1.686 10 0 BDAERO CCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000113311552 385146048 /nfs/dbraw/zinc/14/60/48/385146048.db2.gz AXEDLRRZXGNWTQ-UHFFFAOYSA-N 1 0 211.309 1.627 10 0 BDAERO CNc1ccccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062984781 385200117 /nfs/dbraw/zinc/20/01/17/385200117.db2.gz BPYBOYOIWWLTKT-LLVKDONJSA-N 1 0 247.342 1.504 10 0 BDAERO CC[C@]1(C)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000246365819 385152146 /nfs/dbraw/zinc/15/21/46/385152146.db2.gz ADXPBHNKEMPGFF-HZPVVRMBSA-N 1 0 236.359 1.822 10 0 BDAERO FC(F)(Cl)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000156824148 385163083 /nfs/dbraw/zinc/16/30/83/385163083.db2.gz VVJSQELTGIUTRY-BYPYZUCNSA-N 1 0 223.610 1.782 10 0 BDAERO CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(F)cc1 ZINC000062208821 385164790 /nfs/dbraw/zinc/16/47/90/385164790.db2.gz DIXXWMKRKCSIPO-MWLCHTKSSA-N 1 0 208.236 1.056 10 0 BDAERO CCC[C@H](C(=O)Nc1cnns1)[NH+](C)C ZINC000189583215 385166271 /nfs/dbraw/zinc/16/62/71/385166271.db2.gz IIAFNZXIMYMBNS-SSDOTTSWSA-N 1 0 228.321 1.207 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCCCF)C1 ZINC000308813081 385180937 /nfs/dbraw/zinc/18/09/37/385180937.db2.gz DFSRWCZQXFCMOH-GHMZBOCLSA-N 1 0 219.300 1.208 10 0 BDAERO Cc1nnc(SCC2CC[NH2+]CC2)o1 ZINC000051038671 385256569 /nfs/dbraw/zinc/25/65/69/385256569.db2.gz HXNAROHXDCYBFN-UHFFFAOYSA-N 1 0 213.306 1.470 10 0 BDAERO C[C@H](CC(N)=O)[NH2+][C@H]1CCC[C@H]1CCF ZINC000308851594 385224030 /nfs/dbraw/zinc/22/40/30/385224030.db2.gz ONYYKOAZTLSOMO-UTLUCORTSA-N 1 0 216.300 1.368 10 0 BDAERO Cc1ccc(Cl)cc1-n1cc(C[NH3+])nn1 ZINC000050224090 385311957 /nfs/dbraw/zinc/31/19/57/385311957.db2.gz IUUHXCNGJBNWBG-UHFFFAOYSA-N 1 0 222.679 1.688 10 0 BDAERO [NH3+]Cc1cn(Cc2c(F)cccc2Cl)nn1 ZINC000050224798 385312507 /nfs/dbraw/zinc/31/25/07/385312507.db2.gz RTHUPKSTNXZHMS-UHFFFAOYSA-N 1 0 240.669 1.578 10 0 BDAERO CC(C)CNC(=O)NCc1cccc(C[NH3+])c1 ZINC000164827835 385312469 /nfs/dbraw/zinc/31/24/69/385312469.db2.gz AZYWSSCIIJVASJ-UHFFFAOYSA-N 1 0 235.331 1.601 10 0 BDAERO COCCC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000178692996 385317786 /nfs/dbraw/zinc/31/77/86/385317786.db2.gz NOKSZYZGQFYSLJ-AVGNSLFASA-N 1 0 229.364 1.942 10 0 BDAERO O=C(c1ccncc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000215681552 385321538 /nfs/dbraw/zinc/32/15/38/385321538.db2.gz OCSWHYWXCCQAFC-GFCCVEGCSA-N 1 0 216.284 1.606 10 0 BDAERO OCC[N@@H+]1CCCCc2ccccc2C1 ZINC000238698824 385260472 /nfs/dbraw/zinc/26/04/72/385260472.db2.gz PDXAJUKFUMIRAX-UHFFFAOYSA-N 1 0 205.301 1.817 10 0 BDAERO C[NH+](C)C1(COC(=O)c2cccnc2)CC1 ZINC000033966512 385271149 /nfs/dbraw/zinc/27/11/49/385271149.db2.gz IFMKSAQAHKTLHH-UHFFFAOYSA-N 1 0 220.272 1.333 10 0 BDAERO c1ccc2oc(NC3CC[NH2+]CC3)nc2c1 ZINC000034320611 385279027 /nfs/dbraw/zinc/27/90/27/385279027.db2.gz SRPKOCIOQSJHLI-UHFFFAOYSA-N 1 0 217.272 1.992 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CCC[C@H]1CCCO ZINC000308918993 385292078 /nfs/dbraw/zinc/29/20/78/385292078.db2.gz OLPIIHZVHZQEJG-RYUDHWBXSA-N 1 0 215.337 1.384 10 0 BDAERO COC[C@@]1(c2nc(-c3ccco3)no2)CCC[NH2+]1 ZINC000643937260 385299809 /nfs/dbraw/zinc/29/98/09/385299809.db2.gz WXUYCKGNCAYDRF-GFCCVEGCSA-N 1 0 249.270 1.555 10 0 BDAERO Cc1cc(C)c2cc(C[NH3+])c(=O)n(C)c2c1 ZINC000409423561 385331829 /nfs/dbraw/zinc/33/18/29/385331829.db2.gz SRZSFSOVWCYHOI-UHFFFAOYSA-N 1 0 216.284 1.614 10 0 BDAERO C[C@@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000192984679 385379414 /nfs/dbraw/zinc/37/94/14/385379414.db2.gz RSLKIZCDQVTOQZ-VXGBXAGGSA-N 1 0 235.331 1.196 10 0 BDAERO O=C(c1cscn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000062662240 385383403 /nfs/dbraw/zinc/38/34/03/385383403.db2.gz LDFNXKJTSZESGL-VIFPVBQESA-N 1 0 237.328 1.063 10 0 BDAERO CC[C@@H]([NH2+]CC1(CO)COC1)C(C)(C)C ZINC000309095205 385407496 /nfs/dbraw/zinc/40/74/96/385407496.db2.gz DQXQXPHEZKMZGM-SNVBAGLBSA-N 1 0 215.337 1.410 10 0 BDAERO COc1cccnc1N[C@H](C)C[C@@H](C)[NH3+] ZINC000165736115 385411620 /nfs/dbraw/zinc/41/16/20/385411620.db2.gz ZCPHAMKWGGDQKB-RKDXNWHRSA-N 1 0 209.293 1.628 10 0 BDAERO CO[C@H]1CN(c2ccc(C)cc2)C12CC[NH2+]CC2 ZINC000169676589 385416650 /nfs/dbraw/zinc/41/66/50/385416650.db2.gz KRFXDRZMTXLOCK-AWEZNQCLSA-N 1 0 246.354 1.952 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)c1 ZINC000160227958 385421125 /nfs/dbraw/zinc/42/11/25/385421125.db2.gz BJYKGTKLXPBFRA-ZJUUUORDSA-N 1 0 249.314 1.229 10 0 BDAERO Cc1ccc(N[C@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000309159195 385442035 /nfs/dbraw/zinc/44/20/35/385442035.db2.gz YETGCZSJNJMABJ-CABZTGNLSA-N 1 0 205.305 1.752 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000170868053 385451623 /nfs/dbraw/zinc/45/16/23/385451623.db2.gz KXEYZGUUHTVFLZ-SNVBAGLBSA-N 1 0 249.314 1.328 10 0 BDAERO C[C@]1(C[NH2+]C2COC2)CCO[C@H]1C1CC1 ZINC000309125268 385429705 /nfs/dbraw/zinc/42/97/05/385429705.db2.gz PHJBVIUWWWPBBK-NWDGAFQWSA-N 1 0 211.305 1.180 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC12CC2 ZINC000422867068 385464597 /nfs/dbraw/zinc/46/45/97/385464597.db2.gz RNLHBCRBJARCAF-AEJSXWLSSA-N 1 0 208.305 1.030 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378682640 385467479 /nfs/dbraw/zinc/46/74/79/385467479.db2.gz YBYKFYBUIFBXLV-NZFPMDFQSA-N 1 0 208.305 1.042 10 0 BDAERO CC(C)n1cc(C[NH2+][C@@H]2CCO[C@H]2C)nn1 ZINC000309201297 385475577 /nfs/dbraw/zinc/47/55/77/385475577.db2.gz LLFPOZAIEAVNMJ-GXSJLCMTSA-N 1 0 224.308 1.126 10 0 BDAERO CCN[C@]1(C(F)F)CC[N@H+](C)[C@H](C)C1 ZINC000157019743 385481938 /nfs/dbraw/zinc/48/19/38/385481938.db2.gz UASNGRYKYFOCBG-PSASIEDQSA-N 1 0 206.280 1.714 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2)CN1C ZINC000156635465 385462176 /nfs/dbraw/zinc/46/21/76/385462176.db2.gz CCYIGRAOZYNEAU-MXWKQRLJSA-N 1 0 214.378 1.564 10 0 BDAERO [NH3+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000328579609 385490659 /nfs/dbraw/zinc/49/06/59/385490659.db2.gz QYPXKTOTFOLRID-GFCCVEGCSA-N 1 0 221.300 1.476 10 0 BDAERO CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)C(C)C ZINC000309240463 385495599 /nfs/dbraw/zinc/49/55/99/385495599.db2.gz YHGJQUJYOFJKKL-QWRGUYRKSA-N 1 0 210.325 1.691 10 0 BDAERO CC[C@H]([NH3+])[C@H](O)c1ccc(F)c(F)c1 ZINC000036779159 385529854 /nfs/dbraw/zinc/52/98/54/385529854.db2.gz YZPGQAJYCUKURN-VHSXEESVSA-N 1 0 201.216 1.736 10 0 BDAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccco1 ZINC000180601674 385532945 /nfs/dbraw/zinc/53/29/45/385532945.db2.gz FUUDFTQFUFFTMF-UWVGGRQHSA-N 1 0 232.287 1.537 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000282194339 385519864 /nfs/dbraw/zinc/51/98/64/385519864.db2.gz CFDFJWHRANBIMN-PDCFVHEKSA-N 1 0 244.338 1.957 10 0 BDAERO CCOc1cncc(N2CCC(C)([NH3+])CC2)n1 ZINC000643029350 385524301 /nfs/dbraw/zinc/52/43/01/385524301.db2.gz QWJBDQZVPXPRBB-UHFFFAOYSA-N 1 0 236.319 1.193 10 0 BDAERO CC1([NH3+])CCN(c2ncccc2F)CC1 ZINC000643029034 385524597 /nfs/dbraw/zinc/52/45/97/385524597.db2.gz HBNHKPFKGQOBLG-UHFFFAOYSA-N 1 0 209.268 1.538 10 0 BDAERO CCCCC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000309403591 385571301 /nfs/dbraw/zinc/57/13/01/385571301.db2.gz HSFRTOVTBBBOPH-RTCCRHLQSA-N 1 0 210.321 1.657 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cccs1 ZINC000054072211 385596312 /nfs/dbraw/zinc/59/63/12/385596312.db2.gz HXYLSDLWJKALBL-MRVPVSSYSA-N 1 0 212.318 1.314 10 0 BDAERO COC(=O)[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250367594 385600642 /nfs/dbraw/zinc/60/06/42/385600642.db2.gz LKBRHDIUGOSNLJ-CHWSQXEVSA-N 1 0 245.322 1.821 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C1(CO)CCCC1 ZINC000336676301 385602561 /nfs/dbraw/zinc/60/25/61/385602561.db2.gz HODAEDNFEKEGIB-JTQLQIEISA-N 1 0 215.337 1.288 10 0 BDAERO CN(Cc1ccccn1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306131 385616384 /nfs/dbraw/zinc/61/63/84/385616384.db2.gz QBZSGBGWMISRLH-GFCCVEGCSA-N 1 0 247.342 1.430 10 0 BDAERO CO[C@H](C)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000182127459 385635381 /nfs/dbraw/zinc/63/53/81/385635381.db2.gz RAZSJIVKMWSTPQ-ZYHUDNBSSA-N 1 0 223.320 1.592 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cnn1C ZINC000414517276 385641572 /nfs/dbraw/zinc/64/15/72/385641572.db2.gz QLIXXRNGROYCRS-JLLWLGSASA-N 1 0 237.347 1.632 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@@H]2CCO[C@@H]2C)o1 ZINC000311734096 385643883 /nfs/dbraw/zinc/64/38/83/385643883.db2.gz DXCLPZFSWJYBTP-PSASIEDQSA-N 1 0 210.277 1.558 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CCCO1 ZINC000336683245 385645672 /nfs/dbraw/zinc/64/56/72/385645672.db2.gz JRRCWMANBHZNMT-GARJFASQSA-N 1 0 215.337 1.551 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2sccc2OC)C1 ZINC000414533188 385688747 /nfs/dbraw/zinc/68/87/47/385688747.db2.gz BMYHADMTCYUSEW-JTQLQIEISA-N 1 0 240.372 1.941 10 0 BDAERO CO[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000309574938 385708418 /nfs/dbraw/zinc/70/84/18/385708418.db2.gz OOTNUCKMYKNELN-KKOKHZNYSA-N 1 0 227.348 1.815 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@H](CCO)C(C)C ZINC000161887208 385785592 /nfs/dbraw/zinc/78/55/92/385785592.db2.gz PQUQIOJMQPCZMQ-LLVKDONJSA-N 1 0 240.351 1.103 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1c1c(Br)cnn1C ZINC000306963954 385730425 /nfs/dbraw/zinc/73/04/25/385730425.db2.gz IIWARMIFNOQKAT-RQJHMYQMSA-N 1 0 244.136 1.506 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000309611142 385739048 /nfs/dbraw/zinc/73/90/48/385739048.db2.gz AFKDAMUJYGRVMW-CKYFFXLPSA-N 1 0 221.304 1.375 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1C ZINC000061568254 385742742 /nfs/dbraw/zinc/74/27/42/385742742.db2.gz MANAPYVAHWQAIL-SECBINFHSA-N 1 0 222.288 1.550 10 0 BDAERO COC[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)OC ZINC000309681672 385786491 /nfs/dbraw/zinc/78/64/91/385786491.db2.gz ZPVXLHWBCLHVAT-SDDRHHMPSA-N 1 0 233.327 1.766 10 0 BDAERO COCCCCC[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000186373048 385757166 /nfs/dbraw/zinc/75/71/66/385757166.db2.gz SNOJGRAECZURFI-CYBMUJFWSA-N 1 0 243.347 1.831 10 0 BDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC1 ZINC000112113502 385831546 /nfs/dbraw/zinc/83/15/46/385831546.db2.gz DAKIYCQEPQXZSH-ZDUSSCGKSA-N 1 0 232.327 1.392 10 0 BDAERO CC1(C)CN(C(=O)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000306828314 385841296 /nfs/dbraw/zinc/84/12/96/385841296.db2.gz FTBNECXWUZJDGD-LURJTMIESA-N 1 0 224.226 1.135 10 0 BDAERO C[C@@H]1CC2(C[C@@H](C)O1)[NH2+]CCCS2 ZINC000133635223 385842117 /nfs/dbraw/zinc/84/21/17/385842117.db2.gz FTLSNUICLWMGNW-RKDXNWHRSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@H]([NH3+])c1ncccc1Br ZINC000083283671 385844726 /nfs/dbraw/zinc/84/47/26/385844726.db2.gz SVDQMJUOIHNSKT-YFKPBYRVSA-N 1 0 201.067 1.864 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC#N ZINC000307318012 385851233 /nfs/dbraw/zinc/85/12/33/385851233.db2.gz LNQVERYRRVKKQC-TZMCWYRMSA-N 1 0 229.327 1.968 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@H]1c1ccccc1F ZINC000215986011 385855750 /nfs/dbraw/zinc/85/57/50/385855750.db2.gz ZIDHFNSCZCXOEM-MNOVXSKESA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1c1ccccc1C ZINC000215990439 385855926 /nfs/dbraw/zinc/85/59/26/385855926.db2.gz BKLKSUIVDTXUPT-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO C[C@@H]1CC[C@]2(C[C@@]2(C[NH3+])CO)CS1 ZINC000575534879 385895057 /nfs/dbraw/zinc/89/50/57/385895057.db2.gz NTEBAPZENFRSOW-KXUCPTDWSA-N 1 0 201.335 1.229 10 0 BDAERO C[C@@H]1CC[C@H](N(C)C2C[NH2+]C2)CS1 ZINC000575535498 385900300 /nfs/dbraw/zinc/90/03/00/385900300.db2.gz OFWPKPMRRWPLSJ-BDAKNGLRSA-N 1 0 200.351 1.174 10 0 BDAERO C[NH2+]Cc1cc(-c2ccn(C)n2)cs1 ZINC000231978075 385929164 /nfs/dbraw/zinc/92/91/64/385929164.db2.gz NCGCMMJRGIIYCV-UHFFFAOYSA-N 1 0 207.302 1.868 10 0 BDAERO CNC(=[NH2+])c1cccc(Br)c1 ZINC000062994484 385917834 /nfs/dbraw/zinc/91/78/34/385917834.db2.gz TXEXYMPIPZJDRG-UHFFFAOYSA-N 1 0 213.078 1.994 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1cccc2ccncc21 ZINC000647741557 385921403 /nfs/dbraw/zinc/92/14/03/385921403.db2.gz RIHKINPOHMBPAT-SNVBAGLBSA-N 1 0 243.310 1.702 10 0 BDAERO CC(=O)C[C@H](C)[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000127789646 385931627 /nfs/dbraw/zinc/93/16/27/385931627.db2.gz OIVFZKLOAUMGHZ-HBNTYKKESA-N 1 0 212.337 1.378 10 0 BDAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336746600 385953605 /nfs/dbraw/zinc/95/36/05/385953605.db2.gz RNBFGVXVLXZECF-MWLCHTKSSA-N 1 0 224.348 1.822 10 0 BDAERO CC/C=C\CC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000342205011 385957461 /nfs/dbraw/zinc/95/74/61/385957461.db2.gz PMSFDMOGGAQPMJ-VQTKUKTRSA-N 1 0 249.358 1.940 10 0 BDAERO C/C=C/[C@@H]([NH3+])c1cnn(C)c1Br ZINC000575544397 385965790 /nfs/dbraw/zinc/96/57/90/385965790.db2.gz FIKLWKCGMYGEMP-KGGZQZJCSA-N 1 0 230.109 1.759 10 0 BDAERO Cc1ncc([C@H](C)[NH2+][C@@H]2C[C@H]2CO)c(C)n1 ZINC000309593116 386018422 /nfs/dbraw/zinc/01/84/22/386018422.db2.gz VKADEICDHSVEPX-PTOFAABTSA-N 1 0 221.304 1.125 10 0 BDAERO COC(=O)c1cc(C(=[NH2+])NO)ccc1C ZINC000261508769 386029052 /nfs/dbraw/zinc/02/90/52/386029052.db2.gz WSPVRKIQCCXDEB-UHFFFAOYSA-N 1 0 208.217 1.086 10 0 BDAERO CC[C@]1(C(=O)N[C@@H](C)CC2CC2)CCC[NH2+]1 ZINC000129035523 386048222 /nfs/dbraw/zinc/04/82/22/386048222.db2.gz BDDJXYWCRFOALZ-GXFFZTMASA-N 1 0 224.348 1.823 10 0 BDAERO Cc1c(C[NH2+][C@@H]2CCCOCC2)cnn1C ZINC000222523228 386049525 /nfs/dbraw/zinc/04/95/25/386049525.db2.gz XYKYEOBWKBUHHB-GFCCVEGCSA-N 1 0 223.320 1.387 10 0 BDAERO COC[C@H](N[C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000397228913 386055635 /nfs/dbraw/zinc/05/56/35/386055635.db2.gz DQMNKBRHHDRHPN-WCQGTBRESA-N 1 0 212.337 1.142 10 0 BDAERO C[NH2+][C@]1(C(N)=O)CCCC[C@@H]1C(C)(C)C ZINC000037869762 386104632 /nfs/dbraw/zinc/10/46/32/386104632.db2.gz WSEDZQWONGRAOZ-BXKDBHETSA-N 1 0 212.337 1.666 10 0 BDAERO C[NH2+][C@@H](C(N)=O)c1c(C)cc(C)cc1C ZINC000037869870 386105647 /nfs/dbraw/zinc/10/56/47/386105647.db2.gz URJYRNNIQXLWHH-LLVKDONJSA-N 1 0 206.289 1.358 10 0 BDAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336772211 386075880 /nfs/dbraw/zinc/07/58/80/386075880.db2.gz XWNMUIUIXJQGEH-VPOLOUISSA-N 1 0 210.321 1.432 10 0 BDAERO C[C@@H]1SCC[C@@]1([NH3+])c1ccns1 ZINC000575568227 386097600 /nfs/dbraw/zinc/09/76/00/386097600.db2.gz NBQYSNJAHCBKKV-XPUUQOCRSA-N 1 0 200.332 1.823 10 0 BDAERO CCC[C@H]([NH3+])c1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000310216303 386165184 /nfs/dbraw/zinc/16/51/84/386165184.db2.gz IRZLVXFIOYTYIL-GXSJLCMTSA-N 1 0 240.351 1.485 10 0 BDAERO CCc1cc(CC)nc(NCC[NH2+]C2CC2)n1 ZINC000310234138 386169118 /nfs/dbraw/zinc/16/91/18/386169118.db2.gz QWLCRRLKQOKMDB-UHFFFAOYSA-N 1 0 234.347 1.765 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1c1ncnc2ccccc21 ZINC000310323265 386175382 /nfs/dbraw/zinc/17/53/82/386175382.db2.gz XUEJJLNKPGNIPH-MWLCHTKSSA-N 1 0 228.299 1.556 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@@H](CO)C(C)(C)C ZINC000647969466 386188240 /nfs/dbraw/zinc/18/82/40/386188240.db2.gz ZQWQVWNSWHNPGC-UPJWGTAASA-N 1 0 243.391 1.876 10 0 BDAERO CC[N@@H+]1CCC[C@@H](C2=NO[C@H]3NCCCC=C23)C1 ZINC000038805197 386142661 /nfs/dbraw/zinc/14/26/61/386142661.db2.gz FBJLHTILZIGRLY-BXUZGUMPSA-N 1 0 249.358 1.740 10 0 BDAERO CC(C)C[C@H]([NH3+])CN1CCC([C@H](C)O)CC1 ZINC000414702085 386208778 /nfs/dbraw/zinc/20/87/78/386208778.db2.gz WWLXLNZSXFCSDW-AAEUAGOBSA-N 1 0 228.380 1.453 10 0 BDAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC1(O)CCC1 ZINC000336647762 386256352 /nfs/dbraw/zinc/25/63/52/386256352.db2.gz NGZDYXCLYYYDQZ-QWRGUYRKSA-N 1 0 213.321 1.137 10 0 BDAERO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC1(O)CCC1 ZINC000336647760 386258743 /nfs/dbraw/zinc/25/87/43/386258743.db2.gz NGZDYXCLYYYDQZ-MNOVXSKESA-N 1 0 213.321 1.137 10 0 BDAERO Cc1oncc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425528624 386317560 /nfs/dbraw/zinc/31/75/60/386317560.db2.gz SEXKWNLOVZAWCR-GMXVVIOVSA-N 1 0 236.315 1.576 10 0 BDAERO Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)o1 ZINC000425528588 386317979 /nfs/dbraw/zinc/31/79/79/386317979.db2.gz RYVGUAHGGRMPLA-QJPTWQEYSA-N 1 0 236.315 1.576 10 0 BDAERO CCC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)COC1 ZINC000393959684 386263168 /nfs/dbraw/zinc/26/31/68/386263168.db2.gz BYJGTALXZMEQSY-TUAOUCFPSA-N 1 0 239.359 1.816 10 0 BDAERO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCn1cncn1 ZINC000336777926 386439612 /nfs/dbraw/zinc/43/96/12/386439612.db2.gz JWNCJVQJFBKCHT-WOPDTQHZSA-N 1 0 220.320 1.446 10 0 BDAERO Nc1cc(F)c(Cl)cc1NC1=[NH+]CCN1 ZINC000521400522 386446439 /nfs/dbraw/zinc/44/64/39/386446439.db2.gz AUINBHKVFLMVER-UHFFFAOYSA-N 1 0 228.658 1.432 10 0 BDAERO Cc1nc(C)c(C[N@@H+]2CC[C@@H](CCO)C2)s1 ZINC000336702339 386406550 /nfs/dbraw/zinc/40/65/50/386406550.db2.gz NKDIWMVYFHFIBR-NSHDSACASA-N 1 0 240.372 1.964 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CC1CC(F)(F)C1 ZINC000399324330 386504089 /nfs/dbraw/zinc/50/40/89/386504089.db2.gz KDKRTEUGTHPKNJ-WCBMZHEXSA-N 1 0 219.275 1.877 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000229397460 386526059 /nfs/dbraw/zinc/52/60/59/386526059.db2.gz HTMLDURYSWRAGG-VHSXEESVSA-N 1 0 203.351 1.585 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000229397472 386526205 /nfs/dbraw/zinc/52/62/05/386526205.db2.gz HTMLDURYSWRAGG-UWVGGRQHSA-N 1 0 203.351 1.585 10 0 BDAERO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cncs1 ZINC000397885079 386532774 /nfs/dbraw/zinc/53/27/74/386532774.db2.gz IHWZXBGFDORIMI-SECBINFHSA-N 1 0 225.361 1.888 10 0 BDAERO Cc1nc(CN2C[C@H](F)C[C@H]2C[NH3+])oc1C ZINC000238853185 386535525 /nfs/dbraw/zinc/53/55/25/386535525.db2.gz INJDHGSMDBFRCO-ZJUUUORDSA-N 1 0 227.283 1.163 10 0 BDAERO CCC(C)(C)CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000335499510 386625702 /nfs/dbraw/zinc/62/57/02/386625702.db2.gz IEFTTWVRNDKZKW-NXEZZACHSA-N 1 0 212.337 1.618 10 0 BDAERO CC[C@@]1(C(=O)N[C@H](C)C(C)C)CC[NH2+]C1 ZINC000062890143 386631826 /nfs/dbraw/zinc/63/18/26/386631826.db2.gz GOMHVVBXGFEQHT-ZYHUDNBSSA-N 1 0 212.337 1.537 10 0 BDAERO CCC[C@@H](C(=O)NC1CCSCC1)[NH+](C)C ZINC000179147426 386613560 /nfs/dbraw/zinc/61/35/60/386613560.db2.gz PAMIELVYRQCOJL-NSHDSACASA-N 1 0 244.404 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ZINC000335578708 388451629 /nfs/dbraw/zinc/45/16/29/388451629.db2.gz GCXZCVOTFOEJEK-NXEZZACHSA-N 1 0 230.315 1.524 10 0 BDAERO Cc1cnccc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335595623 388451936 /nfs/dbraw/zinc/45/19/36/388451936.db2.gz FGPDODVZUPFFDU-QWRGUYRKSA-N 1 0 233.315 1.139 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCC1CCOCC1 ZINC000335598184 388451983 /nfs/dbraw/zinc/45/19/83/388451983.db2.gz VEVJQXUXXKCFLA-AAEUAGOBSA-N 1 0 227.348 1.648 10 0 BDAERO CCC1(CC)[C@H]([NH2+][C@@H](C)CO)[C@@H](C)[C@H]1OC ZINC000310001143 388472079 /nfs/dbraw/zinc/47/20/79/388472079.db2.gz DWHMVMLGEHQALB-IRCOFANPSA-N 1 0 229.364 1.797 10 0 BDAERO CCC1(CC)[C@H]([NH2+][C@@H](C)CO)[C@@H](C)[C@@H]1OC ZINC000310001150 388472166 /nfs/dbraw/zinc/47/21/66/388472166.db2.gz DWHMVMLGEHQALB-QCNOEVLYSA-N 1 0 229.364 1.797 10 0 BDAERO C[C@H]1[C@H](O)CCCN1Cc1nccn1C(F)F ZINC000295062616 388407581 /nfs/dbraw/zinc/40/75/81/388407581.db2.gz QKSQPFGYQQRISS-DTWKUNHWSA-N 1 0 245.273 1.623 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccnc(OC)n1 ZINC000295653572 388413491 /nfs/dbraw/zinc/41/34/91/388413491.db2.gz IZARJFYCEYQMPK-KOLCDFICSA-N 1 0 221.304 1.763 10 0 BDAERO c1nc2n(n1)C[C@H]([NH2+]CC1CCCCC1)CC2 ZINC000069621824 388421927 /nfs/dbraw/zinc/42/19/27/388421927.db2.gz JRVDUOFYEUNEGB-GFCCVEGCSA-N 1 0 234.347 1.763 10 0 BDAERO C[NH2+][C@@H]1CC[S@@](=O)c2ccc(C)cc21 ZINC000040974990 388430248 /nfs/dbraw/zinc/43/02/48/388430248.db2.gz TULKRGWUEZOQTA-YGRLFVJLSA-N 1 0 209.314 1.767 10 0 BDAERO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(Br)o1 ZINC000070500237 388437301 /nfs/dbraw/zinc/43/73/01/388437301.db2.gz YPPMIQGCLWCOGQ-MUWHJKNJSA-N 1 0 246.104 1.467 10 0 BDAERO CC(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000066054744 388547122 /nfs/dbraw/zinc/54/71/22/388547122.db2.gz AHMJZSNVEHBJFX-UHFFFAOYSA-N 1 0 230.311 1.674 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378682638 388482196 /nfs/dbraw/zinc/48/21/96/388482196.db2.gz YBYKFYBUIFBXLV-LXUNUROVSA-N 1 0 208.305 1.042 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C)[C@]12CCCO2 ZINC000378676689 388482275 /nfs/dbraw/zinc/48/22/75/388482275.db2.gz PYVHMERJVFZCPB-JZRPKSSGSA-N 1 0 225.332 1.711 10 0 BDAERO Cc1cc(C(=O)N(C)[C@H]2CCC[NH2+]C2)c(C)o1 ZINC000037540947 177744191 /nfs/dbraw/zinc/74/41/91/177744191.db2.gz XWDCRCHQSJPBEU-NSHDSACASA-N 1 0 236.315 1.720 10 0 BDAERO CCC[C@@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)OC ZINC000378714625 388485009 /nfs/dbraw/zinc/48/50/09/388485009.db2.gz XNWFTBPDKKTJOB-KGLIPLIRSA-N 1 0 240.391 1.972 10 0 BDAERO COC[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177588080 388487073 /nfs/dbraw/zinc/48/70/73/388487073.db2.gz DSTWQVHFXZSWHL-SRVKXCTJSA-N 1 0 242.363 1.258 10 0 BDAERO CCC[C@H](C[NH2+][C@@H]1CCN(CC)C1)OC ZINC000378738193 388493388 /nfs/dbraw/zinc/49/33/88/388493388.db2.gz GRURFHJIZKZHKG-VXGBXAGGSA-N 1 0 214.353 1.485 10 0 BDAERO CN(CC[NH3+])c1ccnc2cccnc21 ZINC000341013612 388493850 /nfs/dbraw/zinc/49/38/50/388493850.db2.gz IRLNVURGTQVSDZ-UHFFFAOYSA-N 1 0 202.261 1.025 10 0 BDAERO C[C@@]1(C[NH3+])CCN(c2ccnc3cccnc32)C1 ZINC000341009688 388494348 /nfs/dbraw/zinc/49/43/48/388494348.db2.gz BVJLNCWDZMKCPL-AWEZNQCLSA-N 1 0 242.326 1.805 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CC[C@H]1CCOC1 ZINC000400661087 256795318 /nfs/dbraw/zinc/79/53/18/256795318.db2.gz WNWZYLJURPUZHK-QWHCGFSZSA-N 1 0 227.348 1.650 10 0 BDAERO CCCCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000135556623 388499923 /nfs/dbraw/zinc/49/99/23/388499923.db2.gz SUXRKGSVTJYWCA-LBPRGKRZSA-N 1 0 241.379 1.912 10 0 BDAERO CCC[C@@H](C(=O)NCC(C)(C)C)[NH+](C)C ZINC000178653805 388502553 /nfs/dbraw/zinc/50/25/53/388502553.db2.gz AYUKHZHSOQAADZ-JTQLQIEISA-N 1 0 214.353 1.879 10 0 BDAERO CCC[C@@H](C[NH2+]CCn1cc(C)cn1)OC ZINC000378781928 388504359 /nfs/dbraw/zinc/50/43/59/388504359.db2.gz FWZSZAMEFRSQTR-LBPRGKRZSA-N 1 0 225.336 1.596 10 0 BDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cocn1 ZINC000397997575 388514914 /nfs/dbraw/zinc/51/49/14/388514914.db2.gz QZWHACCQLXCKIL-WCQYABFASA-N 1 0 235.331 1.733 10 0 BDAERO CC(C)(C)CC(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282578 256769641 /nfs/dbraw/zinc/76/96/41/256769641.db2.gz JMNXDLONCZMYQI-NXEZZACHSA-N 1 0 210.321 1.100 10 0 BDAERO C[C@@H](C[NH3+])Nc1cc(C(F)(F)F)ccn1 ZINC000085486242 256771837 /nfs/dbraw/zinc/77/18/37/256771837.db2.gz PNZIRGILSYITNW-LURJTMIESA-N 1 0 219.210 1.860 10 0 BDAERO c1cnc2c(c1)CCC[C@H]2N1CC[NH2+]CC1 ZINC000082368844 388587093 /nfs/dbraw/zinc/58/70/93/388587093.db2.gz SYWSFZMFYTYKRL-GFCCVEGCSA-N 1 0 217.316 1.364 10 0 BDAERO C[C@@](O)(C[NH3+])c1ccc(F)c(Cl)c1 ZINC000055032598 388596252 /nfs/dbraw/zinc/59/62/52/388596252.db2.gz JDSAVNRTBLPSFR-SECBINFHSA-N 1 0 203.644 1.645 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000245931429 388610388 /nfs/dbraw/zinc/61/03/88/388610388.db2.gz JHOCWMQQVVMNEA-FIQHERPVSA-N 1 0 213.321 1.305 10 0 BDAERO CC[C@H]1C[N@H+](CC2CC2)CCN1C[C@H](C)O ZINC000246054512 388614679 /nfs/dbraw/zinc/61/46/79/388614679.db2.gz QKUUUHUOAIFXBF-AAEUAGOBSA-N 1 0 226.364 1.173 10 0 BDAERO CC1CC([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000184406529 388577032 /nfs/dbraw/zinc/57/70/32/388577032.db2.gz XQZMOMITXILKTO-OTTFEQOBSA-N 1 0 246.358 1.834 10 0 BDAERO CC1CC([NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000184406549 388577089 /nfs/dbraw/zinc/57/70/89/388577089.db2.gz XQZMOMITXILKTO-CPCZMJQVSA-N 1 0 246.358 1.834 10 0 BDAERO CC/C=C/CC[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000184520290 388579351 /nfs/dbraw/zinc/57/93/51/388579351.db2.gz VGKOEQDIHVEILY-VBROQKIQSA-N 1 0 240.391 1.995 10 0 BDAERO Cc1ccnc([C@@H]([NH3+])C2CCOCC2)c1 ZINC000068957939 388682620 /nfs/dbraw/zinc/68/26/20/388682620.db2.gz OPQZVLIQPYISQP-LBPRGKRZSA-N 1 0 206.289 1.816 10 0 BDAERO COC[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000246327481 388630945 /nfs/dbraw/zinc/63/09/45/388630945.db2.gz XMVJPTFBBLXTJR-GRYCIOLGSA-N 1 0 214.353 1.340 10 0 BDAERO Cc1cc(NCCC[NH2+]C(C)C)nc(C)n1 ZINC000517342575 388660512 /nfs/dbraw/zinc/66/05/12/388660512.db2.gz IRBPCPYONBEARY-UHFFFAOYSA-N 1 0 222.336 1.315 10 0 BDAERO Cc1cc(Br)n([C@H]2CCC[NH2+]C2)n1 ZINC000096985856 177724472 /nfs/dbraw/zinc/72/44/72/177724472.db2.gz RVIXDKRDUICTMI-QMMMGPOBSA-N 1 0 244.136 1.879 10 0 BDAERO C/C(=C/c1cc(Br)nn1C)[C@H](C)[NH3+] ZINC000575454162 388757675 /nfs/dbraw/zinc/75/76/75/388757675.db2.gz OSJHZKYWTCJGNE-NGAMADIESA-N 1 0 244.136 1.933 10 0 BDAERO c1cc(-c2cc3c(nn2)CC[NH2+]C3)ccn1 ZINC000521399607 388704657 /nfs/dbraw/zinc/70/46/57/388704657.db2.gz MCNYRFCJVZKHPV-UHFFFAOYSA-N 1 0 212.256 1.184 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCOC[C@H]1C ZINC000249097550 388707892 /nfs/dbraw/zinc/70/78/92/388707892.db2.gz MNSOPDOFODBEKM-MCIONIFRSA-N 1 0 242.407 1.977 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cocn1 ZINC000249317342 388716825 /nfs/dbraw/zinc/71/68/25/388716825.db2.gz PSIRKFKELIDADB-JQWIXIFHSA-N 1 0 221.304 1.343 10 0 BDAERO CC(C)OC(=O)NCC[N@H+](C)C(C)C ZINC000127286659 388720027 /nfs/dbraw/zinc/72/00/27/388720027.db2.gz XAWLEFSHNOVTBM-UHFFFAOYSA-N 1 0 202.298 1.461 10 0 BDAERO CCC[C@H](C)[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000249406143 388720854 /nfs/dbraw/zinc/72/08/54/388720854.db2.gz WRYALAWPZHAORT-STQMWFEESA-N 1 0 228.380 1.828 10 0 BDAERO C[NH+](C)Cc1ccc2coc(CO)c2c1 ZINC000081952606 388722564 /nfs/dbraw/zinc/72/25/64/388722564.db2.gz RQWQXWFBDJARNL-UHFFFAOYSA-N 1 0 205.257 1.987 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CCOCC1 ZINC000227844394 388759570 /nfs/dbraw/zinc/75/95/70/388759570.db2.gz KEEVTEPAMCGWNN-CKYFFXLPSA-N 1 0 213.321 1.569 10 0 BDAERO CC(=O)Nc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000091425372 388763731 /nfs/dbraw/zinc/76/37/31/388763731.db2.gz RBUNHANEFKAOIG-UHFFFAOYSA-N 1 0 248.326 1.506 10 0 BDAERO OC1CC(C[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000091661907 388767962 /nfs/dbraw/zinc/76/79/62/388767962.db2.gz LWGALJFFEQSZSQ-GDKBPFBDSA-N 1 0 232.327 1.820 10 0 BDAERO [NH3+][C@@H]1COC[C@H]1c1occc1Br ZINC000575462164 388823763 /nfs/dbraw/zinc/82/37/63/388823763.db2.gz WNXHIIAGWFIBMV-IYSWYEEDSA-N 1 0 232.077 1.483 10 0 BDAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cncs1 ZINC000229130384 388833832 /nfs/dbraw/zinc/83/38/32/388833832.db2.gz QOCRXWYLZAQPOU-AFPNSQJFSA-N 1 0 212.318 1.565 10 0 BDAERO C[C@H]([NH3+])COc1nc(Br)cs1 ZINC000575479839 388862292 /nfs/dbraw/zinc/86/22/92/388862292.db2.gz IEKKBDZZPOZCRU-BYPYZUCNSA-N 1 0 237.122 1.632 10 0 BDAERO CC(C)[S@](=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000575493093 388944022 /nfs/dbraw/zinc/94/40/22/388944022.db2.gz MRXAIKKHGLLOGS-QYMPCTKHSA-N 1 0 201.335 1.427 10 0 BDAERO C[C@@H]1C[NH+]=C(NCC2SCCS2)S1 ZINC000575496789 388976125 /nfs/dbraw/zinc/97/61/25/388976125.db2.gz AHQBHHRPADNCBJ-ZCFIWIBFSA-N 1 0 234.415 1.873 10 0 BDAERO Cn1nc(Br)cc1[C@H]1C[C@@H]1C[NH3+] ZINC000575502897 388990239 /nfs/dbraw/zinc/99/02/39/388990239.db2.gz XUVOMPAWYLEXAI-RITPCOANSA-N 1 0 230.109 1.245 10 0 BDAERO Cn1nc(Br)cc1[C@H]1CC[NH2+]1 ZINC000575502627 388990136 /nfs/dbraw/zinc/99/01/36/388990136.db2.gz SUYAELXOHVKAEY-RXMQYKEDSA-N 1 0 216.082 1.217 10 0 BDAERO CC(C)[C@H]1C[C@@]2(CO1)[NH2+]CCCS2 ZINC000575501641 388990444 /nfs/dbraw/zinc/99/04/44/388990444.db2.gz NLHJJMWPEPTRDT-NXEZZACHSA-N 1 0 201.335 1.854 10 0 BDAERO C1C[C@@H](O[C@@H]2CCC[NH2+]CC2)CS1 ZINC000575513316 389017763 /nfs/dbraw/zinc/01/77/63/389017763.db2.gz QVDRVSYEYHKNQB-NXEZZACHSA-N 1 0 201.335 1.651 10 0 BDAERO C[C@@H]1C[C@@H](C)CN(c2ccc(C[NH3+])nn2)C1 ZINC000051396439 132360030 /nfs/dbraw/zinc/36/00/30/132360030.db2.gz BHRHVMQGMPQFPR-NXEZZACHSA-N 1 0 220.320 1.418 10 0 BDAERO C[C@@H]1CN(c2ccnc(C[NH3+])c2)CC(C)(C)O1 ZINC000051397719 132360385 /nfs/dbraw/zinc/36/03/85/132360385.db2.gz ORXWGOCMBDSDQZ-SNVBAGLBSA-N 1 0 235.331 1.544 10 0 BDAERO C[C@H]1COCCN1c1ccc(Cl)c(C[NH3+])n1 ZINC000051396848 132360496 /nfs/dbraw/zinc/36/04/96/132360496.db2.gz UYZMKANOJBDFKL-QMMMGPOBSA-N 1 0 241.722 1.419 10 0 BDAERO [NH3+]Cc1ccc(Cl)cc1N1CCC[C@@H](O)C1 ZINC000062786829 132388310 /nfs/dbraw/zinc/38/83/10/132388310.db2.gz IZGLQSYKAOESQN-LLVKDONJSA-N 1 0 240.734 1.760 10 0 BDAERO COc1ncccc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401961451 533257532 /nfs/dbraw/zinc/25/75/32/533257532.db2.gz OMNLFAOPPBSCDA-PWSUYJOCSA-N 1 0 236.315 1.293 10 0 BDAERO C([NH2+][C@H]1C[C@H]2OCCC[C@@H]21)C1CCOCC1 ZINC000249969830 533373447 /nfs/dbraw/zinc/37/34/47/533373447.db2.gz KJOYPQPDUXIXHT-FRRDWIJNSA-N 1 0 225.332 1.570 10 0 BDAERO COC(=O)[C@H]1CCC[N@H+]1C[C@H](OC)C1CC1 ZINC000400233646 533395313 /nfs/dbraw/zinc/39/53/13/533395313.db2.gz HURLQBRAWPIIKQ-MNOVXSKESA-N 1 0 227.304 1.049 10 0 BDAERO Cc1ccc(C[NH2+]CC2CC(O)C2)cc1F ZINC000084446632 322835167 /nfs/dbraw/zinc/83/51/67/322835167.db2.gz TUNVSZGJNVBTRB-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO Cc1cc(N2CCC[C@H]([NH3+])C2)nc(C(C)C)n1 ZINC000041030287 132223995 /nfs/dbraw/zinc/22/39/95/132223995.db2.gz MXEPYWSWOBKOCJ-NSHDSACASA-N 1 0 234.347 1.836 10 0 BDAERO COc1ccnc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000070178493 132230384 /nfs/dbraw/zinc/23/03/84/132230384.db2.gz VJADRIXAEGDWHK-NXEZZACHSA-N 1 0 236.319 1.049 10 0 BDAERO CCOc1cncc(N2CCC(C[NH3+])CC2)n1 ZINC000071176048 132231748 /nfs/dbraw/zinc/23/17/48/132231748.db2.gz UPWJLPCTCPOHAU-UHFFFAOYSA-N 1 0 236.319 1.050 10 0 BDAERO CCCc1cc(N2CC[NH2+]CC2)nc(CC)n1 ZINC000045950789 132299101 /nfs/dbraw/zinc/29/91/01/132299101.db2.gz NFOJWQCORFCRGA-UHFFFAOYSA-N 1 0 234.347 1.401 10 0 BDAERO CCc1nc(C(C)C)cc(N2CC[NH2+]CC2)n1 ZINC000045950786 132299293 /nfs/dbraw/zinc/29/92/93/132299293.db2.gz GCVMDIUFVKQKOX-UHFFFAOYSA-N 1 0 234.347 1.572 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncccn1 ZINC000301285012 132308319 /nfs/dbraw/zinc/30/83/19/132308319.db2.gz NZEOVRMGWLGDOZ-QWRGUYRKSA-N 1 0 218.304 1.150 10 0 BDAERO COc1cc(N2CC[NH2+]CC2)c(F)cc1Cl ZINC000090527580 132311618 /nfs/dbraw/zinc/31/16/18/132311618.db2.gz QIFYJMPMJLJMLD-UHFFFAOYSA-N 1 0 244.697 1.897 10 0 BDAERO COC(=O)c1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000090513334 132311789 /nfs/dbraw/zinc/31/17/89/132311789.db2.gz OOQVRLBVSZGEPA-UHFFFAOYSA-N 1 0 238.262 1.022 10 0 BDAERO C[C@@H]1Oc2ccccc2N(CCCC[NH3+])C1=O ZINC000011568788 132319796 /nfs/dbraw/zinc/31/97/96/132319796.db2.gz XLXCLCAIQZAHAO-JTQLQIEISA-N 1 0 234.299 1.539 10 0 BDAERO C[C@@H]1C[C@H](C)CN(c2ccc(C(N)=[NH2+])cn2)C1 ZINC000019505127 132325784 /nfs/dbraw/zinc/32/57/84/132325784.db2.gz JTFPLGZDEUXHGT-AOOOYVTPSA-N 1 0 232.331 1.848 10 0 BDAERO CC(C)[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265401 132330448 /nfs/dbraw/zinc/33/04/48/132330448.db2.gz GLAVVPVCZAWRAG-UHFFFAOYSA-N 1 0 219.332 1.799 10 0 BDAERO Cc1cn2c(cccc2N2CC[NH2+]CC2)n1 ZINC000036220546 132340479 /nfs/dbraw/zinc/34/04/79/132340479.db2.gz ZSLOARCOQIXTKW-UHFFFAOYSA-N 1 0 216.288 1.052 10 0 BDAERO C[NH+](C)C1CCN(c2ccc(F)cc2N)CC1 ZINC000036191151 132340652 /nfs/dbraw/zinc/34/06/52/132340652.db2.gz LTKWOKWOYATTPI-UHFFFAOYSA-N 1 0 237.322 1.938 10 0 BDAERO C[NH+](C)C1CCN(c2cccc(N)c2)CC1 ZINC000036191078 132340665 /nfs/dbraw/zinc/34/06/65/132340665.db2.gz PAXRRGPCHPJUPC-UHFFFAOYSA-N 1 0 219.332 1.799 10 0 BDAERO CC[NH+]1CCN(c2nc(C)ccc2N)CC1 ZINC000036250670 132341191 /nfs/dbraw/zinc/34/11/91/132341191.db2.gz AFFGWCWDLCKBDP-UHFFFAOYSA-N 1 0 220.320 1.114 10 0 BDAERO CC[C@H]1CN(c2ccc(C(N)=[NH2+])cc2)CCO1 ZINC000036769925 132342461 /nfs/dbraw/zinc/34/24/61/132342461.db2.gz PVZSDUPRVZXPPU-LBPRGKRZSA-N 1 0 233.315 1.586 10 0 BDAERO CC[C@@H]([NH3+])CN1CCN(c2ccccc2)CC1 ZINC000036871960 132342644 /nfs/dbraw/zinc/34/26/44/132342644.db2.gz YWRLRYHFMCBZSP-CYBMUJFWSA-N 1 0 233.359 1.546 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1c1cc(C[NH3+])ccn1 ZINC000036794446 132342695 /nfs/dbraw/zinc/34/26/95/132342695.db2.gz KMRNVZIJAXPXQG-ZYHUDNBSSA-N 1 0 235.331 1.544 10 0 BDAERO CN1C(=O)C[C@H]([NH2+]CCCO)c2ccccc21 ZINC000037236605 132343835 /nfs/dbraw/zinc/34/38/35/132343835.db2.gz UVHLFRFRYZAETP-NSHDSACASA-N 1 0 234.299 1.066 10 0 BDAERO C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037258075 132344302 /nfs/dbraw/zinc/34/43/02/132344302.db2.gz LGIUOUVQCHCHIW-ONGXEEELSA-N 1 0 234.299 1.065 10 0 BDAERO C[NH2+]CC(=O)N1CCCc2cccc(OC)c21 ZINC000037839086 132345568 /nfs/dbraw/zinc/34/55/68/132345568.db2.gz 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BDAERO C[NH+](C)CC1CCN(c2cccc(CO)n2)CC1 ZINC000051042094 132359799 /nfs/dbraw/zinc/35/97/99/132359799.db2.gz SYKGUHAIJOCKIB-UHFFFAOYSA-N 1 0 249.358 1.352 10 0 BDAERO [NH3+]Cc1ccc(N2CC[C@H]3CCCC[C@@H]3C2)nn1 ZINC000051397088 132360267 /nfs/dbraw/zinc/36/02/67/132360267.db2.gz MRWITBVAEBSQMC-VXGBXAGGSA-N 1 0 246.358 1.952 10 0 BDAERO CC[NH2+]Cc1cccnc1N1C[C@H](C)OC[C@@H]1C ZINC000051444226 132361173 /nfs/dbraw/zinc/36/11/73/132361173.db2.gz TVZVUZIQUWASMH-RYUDHWBXSA-N 1 0 249.358 1.805 10 0 BDAERO CC[NH2+]Cc1ccnc(N2CCO[C@@H](CC)C2)c1 ZINC000051444561 132361219 /nfs/dbraw/zinc/36/12/19/132361219.db2.gz KAWJPYSUEJBZPQ-ZDUSSCGKSA-N 1 0 249.358 1.806 10 0 BDAERO [NH3+]CCc1ccc(N2CCCNC2=O)cc1 ZINC000051602210 132361507 /nfs/dbraw/zinc/36/15/07/132361507.db2.gz ZAMJPWTVXKPRGH-UHFFFAOYSA-N 1 0 219.288 1.108 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1c1ncccn1 ZINC000053698147 132363129 /nfs/dbraw/zinc/36/31/29/132363129.db2.gz UMFMSHSZGNZCSY-NSHDSACASA-N 1 0 220.320 1.445 10 0 BDAERO 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CCc1cc(N2CCCC[C@H]2[C@@H](C)[NH3+])ncn1 ZINC000063196445 132389069 /nfs/dbraw/zinc/38/90/69/132389069.db2.gz UYQGYLBOZJGHIB-PWSUYJOCSA-N 1 0 234.347 1.745 10 0 BDAERO c1nc(O[C@@H]2CC[NH2+]C2)cc(N2CCCCC2)n1 ZINC000065269580 132389836 /nfs/dbraw/zinc/38/98/36/132389836.db2.gz USLXVHMDAKWBNZ-LLVKDONJSA-N 1 0 248.330 1.208 10 0 BDAERO COc1ccccc1N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000071522587 132393197 /nfs/dbraw/zinc/39/31/97/132393197.db2.gz LVOBGFRXNPCNHM-MNOVXSKESA-N 1 0 220.316 1.882 10 0 BDAERO C[C@@H]1CCN(c2ncccc2F)[C@@H](C[NH3+])C1 ZINC000235388190 132395225 /nfs/dbraw/zinc/39/52/25/132395225.db2.gz QMVHAKDQAYEBFI-NXEZZACHSA-N 1 0 223.295 1.784 10 0 BDAERO C[C@@H]1CCN(c2ncc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000235381348 132395227 /nfs/dbraw/zinc/39/52/27/132395227.db2.gz HFRKDGXYYQXCCC-PSASIEDQSA-N 1 0 240.738 1.694 10 0 BDAERO CCOc1cc(N2CC[NH+](C)CC2)ccc1N ZINC000072266372 132396353 /nfs/dbraw/zinc/39/63/53/132396353.db2.gz HDSSNQFHRRRXFG-UHFFFAOYSA-N 1 0 235.331 1.419 10 0 BDAERO 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409945344 /nfs/dbraw/zinc/94/53/44/409945344.db2.gz OTKSQLGOVSQJFE-QJPTWQEYSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])nc(C)n1 ZINC000227200857 487612357 /nfs/dbraw/zinc/61/23/57/487612357.db2.gz CBTHQLFKKDOPOO-BXKDBHETSA-N 1 0 234.347 1.657 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CO1 ZINC000647209214 410089189 /nfs/dbraw/zinc/08/91/89/410089189.db2.gz XZMFYYOHRPOYGV-UJPOAAIJSA-N 1 0 227.348 1.957 10 0 BDAERO CC[C@@H]1CO[C@@H](CC)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000653177451 410151745 /nfs/dbraw/zinc/15/17/45/410151745.db2.gz YDFSNKZYDZLBKF-UTUOFQBUSA-N 1 0 240.347 1.012 10 0 BDAERO Brc1cnc([C@H]2CC[NH2+]C2)s1 ZINC000044122181 166104207 /nfs/dbraw/zinc/10/42/07/166104207.db2.gz GNRBGSKHWBQTIH-YFKPBYRVSA-N 1 0 233.134 1.983 10 0 BDAERO Brc1cnn([C@H]2CC[NH2+]C2)c1 ZINC000051783716 166107001 /nfs/dbraw/zinc/10/70/01/166107001.db2.gz SPBLSBDLHRGAEG-ZETCQYMHSA-N 1 0 216.082 1.180 10 0 BDAERO C[C@]1(C2CC2)C[N@H+](CC2(O)CCC2)CCO1 ZINC000661169086 410315835 /nfs/dbraw/zinc/31/58/35/410315835.db2.gz COWCWJARLAWFSI-GFCCVEGCSA-N 1 0 225.332 1.402 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(CC1CC1)CC1CC1 ZINC000070064276 410457184 /nfs/dbraw/zinc/45/71/84/410457184.db2.gz SONTWKNLQMEDPB-SECBINFHSA-N 1 0 210.321 1.243 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307961369 410670399 /nfs/dbraw/zinc/67/03/99/410670399.db2.gz XGDGZJOAKOXXDL-SFYZADRCSA-N 1 0 243.269 1.296 10 0 BDAERO CC(C)(C)NC(=O)CC[C@@H](C[NH3+])c1ccncc1 ZINC000076635869 166612764 /nfs/dbraw/zinc/61/27/64/166612764.db2.gz OLCYMTUFUBUOCO-LBPRGKRZSA-N 1 0 249.358 1.819 10 0 BDAERO [NH3+]C[C@@H]1CN(C[C@H]2CCCCC2(F)F)CCO1 ZINC000394511239 410805794 /nfs/dbraw/zinc/80/57/94/410805794.db2.gz ZCLFSFWYGZBVQM-GHMZBOCLSA-N 1 0 248.317 1.471 10 0 BDAERO CC(C)CN(CCC[NH3+])C(=O)[C@H]1CCCCO1 ZINC000050958514 166956517 /nfs/dbraw/zinc/95/65/17/166956517.db2.gz PKLQYFZQTGZRCB-GFCCVEGCSA-N 1 0 242.363 1.389 10 0 BDAERO CC(C)C[NH+]1CCC(C(N)=S)CC1 ZINC000032009956 166967550 /nfs/dbraw/zinc/96/75/50/166967550.db2.gz YWOLFBHMMLRCJX-UHFFFAOYSA-N 1 0 200.351 1.641 10 0 BDAERO Cc1cnc(C[NH2+][C@H]2CCC[C@H](O)C2)s1 ZINC000394728095 410819424 /nfs/dbraw/zinc/81/94/24/410819424.db2.gz LKQRXQNKGXYQQH-UWVGGRQHSA-N 1 0 226.345 1.845 10 0 BDAERO C[C@H]1NCCC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000396697814 410896354 /nfs/dbraw/zinc/89/63/54/410896354.db2.gz KBRHXJGHVSNFOY-SKDRFNHKSA-N 1 0 208.349 1.905 10 0 BDAERO CC(C)C[NH2+]CCn1nnc2ccccc2c1=O ZINC000053532286 167004904 /nfs/dbraw/zinc/00/49/04/167004904.db2.gz AQKPWORABDDJHD-UHFFFAOYSA-N 1 0 246.314 1.037 10 0 BDAERO CC(C)C[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000020036927 167008485 /nfs/dbraw/zinc/00/84/85/167008485.db2.gz IAOQVSADYOYHDT-UHFFFAOYSA-N 1 0 224.279 1.670 10 0 BDAERO CC(C)C[NH2+][C@]1(CO)CCCSC1 ZINC000061590899 167015168 /nfs/dbraw/zinc/01/51/68/167015168.db2.gz ABPBXTLWCGZBPK-JTQLQIEISA-N 1 0 203.351 1.490 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](Nc2cnn(C)c2)C1 ZINC000045651325 167025202 /nfs/dbraw/zinc/02/52/02/167025202.db2.gz PLWNCOKEUBBFBO-JTQLQIEISA-N 1 0 208.309 1.315 10 0 BDAERO CC(C)NC(=O)CC[NH2+]CCOC1CCCC1 ZINC000104445163 167044070 /nfs/dbraw/zinc/04/40/70/167044070.db2.gz ICAJWXKESJEYOV-UHFFFAOYSA-N 1 0 242.363 1.450 10 0 BDAERO CC(C)NC(=O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309671241 167058665 /nfs/dbraw/zinc/05/86/65/167058665.db2.gz JVZXZJZVVDCCNJ-WDEREUQCSA-N 1 0 230.327 1.629 10 0 BDAERO CC(C)NC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145229 167080749 /nfs/dbraw/zinc/08/07/49/167080749.db2.gz CHXBBJMHQCEUHM-GHMZBOCLSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)[NH2+]CC(=O)N1CC[C@H](C)C[C@H]1C ZINC000051733152 167098501 /nfs/dbraw/zinc/09/85/01/167098501.db2.gz PFHHYJGILRCRDP-WDEREUQCSA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)[NH2+]CCC(=O)N(C)c1ccncc1 ZINC000077332564 167099290 /nfs/dbraw/zinc/09/92/90/167099290.db2.gz BQAUPFMLAYELJX-UHFFFAOYSA-N 1 0 221.304 1.433 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1C[C@@H]2CC[C@H]1C2 ZINC000049716800 167099375 /nfs/dbraw/zinc/09/93/75/167099375.db2.gz UDSZIMRLOQDZRG-MNOVXSKESA-N 1 0 210.321 1.385 10 0 BDAERO CC(C)[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@H]23 ZINC000039287381 167101008 /nfs/dbraw/zinc/10/10/08/167101008.db2.gz GBTQINHCVZUEAU-RISCZKNCSA-N 1 0 244.338 1.638 10 0 BDAERO CC(C)[NH2+]CCN(C)CCOc1ccccc1 ZINC000043458258 167103053 /nfs/dbraw/zinc/10/30/53/167103053.db2.gz JXKSONBCZHFTRY-UHFFFAOYSA-N 1 0 236.359 1.995 10 0 BDAERO CC(C)[NH2+]CCN1CCS[C@@H](C)C1 ZINC000123412466 167103941 /nfs/dbraw/zinc/10/39/41/167103941.db2.gz RWHBNOWSGFYQMU-JTQLQIEISA-N 1 0 202.367 1.422 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)COc1ccc2[nH]cnc2c1 ZINC000116456360 167110843 /nfs/dbraw/zinc/11/08/43/167110843.db2.gz OGDPAKNSPMBCOT-SNVBAGLBSA-N 1 0 249.314 1.301 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000037871943 167110942 /nfs/dbraw/zinc/11/09/42/167110942.db2.gz RYFRVYNVIMIPHF-LLVKDONJSA-N 1 0 215.243 1.996 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000275584205 167113858 /nfs/dbraw/zinc/11/38/58/167113858.db2.gz PGBKLUOPEVLUBB-CMPLNLGQSA-N 1 0 223.320 1.496 10 0 BDAERO CC(C)[NH2+]Cc1cc(F)ccc1-n1cncn1 ZINC000037236828 167117498 /nfs/dbraw/zinc/11/74/98/167117498.db2.gz DRPAJXPSIROEMG-UHFFFAOYSA-N 1 0 234.278 1.904 10 0 BDAERO CC(C)[NH2+][C@](C)(C(N)=O)c1cccc(F)c1 ZINC000037446590 167142518 /nfs/dbraw/zinc/14/25/18/167142518.db2.gz LDSFPTKFRMPCQU-LBPRGKRZSA-N 1 0 224.279 1.524 10 0 BDAERO CC(C)Nc1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000050891562 167149956 /nfs/dbraw/zinc/14/99/56/167149956.db2.gz LKTWHMVYYRWPIN-UHFFFAOYSA-N 1 0 218.304 1.675 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000044240583 167165152 /nfs/dbraw/zinc/16/51/52/167165152.db2.gz ZVGRHNIWJVSHHN-SNVBAGLBSA-N 1 0 226.320 1.796 10 0 BDAERO CC(C)OC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061884480 167165942 /nfs/dbraw/zinc/16/59/42/167165942.db2.gz CGFZFMWNPPNIET-IUCAKERBSA-N 1 0 200.282 1.248 10 0 BDAERO CC(C)OCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309343717 167224314 /nfs/dbraw/zinc/22/43/14/167224314.db2.gz LASBLARRMRUEQR-GHMZBOCLSA-N 1 0 228.336 1.058 10 0 BDAERO CC(C)OCCN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000224842020 167235679 /nfs/dbraw/zinc/23/56/79/167235679.db2.gz UCQAQJWVMDLABR-VXGBXAGGSA-N 1 0 214.353 1.471 10 0 BDAERO CC(C)OCCO[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053556338 167247992 /nfs/dbraw/zinc/24/79/92/167247992.db2.gz BHLBORTWDDLDTG-STQMWFEESA-N 1 0 245.363 1.585 10 0 BDAERO CC(C)OCCOc1ncccc1C[NH3+] ZINC000019388961 167248063 /nfs/dbraw/zinc/24/80/63/167248063.db2.gz CFEDBGMKIIWSIY-UHFFFAOYSA-N 1 0 210.277 1.344 10 0 BDAERO CC(C)Oc1ccc(CCC(=O)C[NH3+])cc1 ZINC000071523275 167292599 /nfs/dbraw/zinc/29/25/99/167292599.db2.gz AZPZQNMEXXNXQL-UHFFFAOYSA-N 1 0 221.300 1.934 10 0 BDAERO CC(C)Oc1ccnc(C[NH3+])c1OC1CC1 ZINC000095723364 167312093 /nfs/dbraw/zinc/31/20/93/167312093.db2.gz DKQYINBGDGLIFB-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040460326 167364876 /nfs/dbraw/zinc/36/48/76/167364876.db2.gz LOOFREAHJPMXQL-NXEZZACHSA-N 1 0 214.353 1.863 10 0 BDAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(N)cc1 ZINC000049191846 167395869 /nfs/dbraw/zinc/39/58/69/167395869.db2.gz MXDXEJDSWJWILK-CYBMUJFWSA-N 1 0 249.358 1.585 10 0 BDAERO CC(C)[C@@H](CN)[N@H+](C)[C@@H]1CCSC1 ZINC000037174434 167396851 /nfs/dbraw/zinc/39/68/51/167396851.db2.gz UQWGTWIXTFUBRR-NXEZZACHSA-N 1 0 202.367 1.407 10 0 BDAERO CC(C)[C@@H](C[NH3+])n1nnc2ccccc21 ZINC000052576639 167397350 /nfs/dbraw/zinc/39/73/50/167397350.db2.gz HZAWICNHRSJAKN-LLVKDONJSA-N 1 0 204.277 1.587 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)Cc1ccccn1 ZINC000655499765 411035694 /nfs/dbraw/zinc/03/56/94/411035694.db2.gz PXZSLMPKWBEMGC-DGCLKSJQSA-N 1 0 249.358 1.502 10 0 BDAERO CC1CC(C(=O)N2CC[NH2+]CC2(C)C)C1 ZINC000309528112 411162967 /nfs/dbraw/zinc/16/29/67/411162967.db2.gz VEZSEMXJSUZKNM-UHFFFAOYSA-N 1 0 210.321 1.243 10 0 BDAERO COc1cccnc1N1CCC[C@H]([NH3+])C1 ZINC000107203747 411132794 /nfs/dbraw/zinc/13/27/94/411132794.db2.gz ISKUQXBRRTXEOI-VIFPVBQESA-N 1 0 207.277 1.018 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000309519201 411159815 /nfs/dbraw/zinc/15/98/15/411159815.db2.gz SURCSFCRAYYDQF-VGRIYTJTSA-N 1 0 210.321 1.289 10 0 BDAERO COc1ncc(C[NH2+][C@H](C)[C@@H]2CCCO2)s1 ZINC000309359337 411107836 /nfs/dbraw/zinc/10/78/36/411107836.db2.gz NUHWDNGTMTZBHZ-SCZZXKLOSA-N 1 0 242.344 1.809 10 0 BDAERO CN(CCC1CC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000309557724 411171259 /nfs/dbraw/zinc/17/12/59/411171259.db2.gz NDNHTQJTLAFZMO-NWDGAFQWSA-N 1 0 224.348 1.620 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCOCC1 ZINC000309560035 411171621 /nfs/dbraw/zinc/17/16/21/411171621.db2.gz OEIFEUKWKMTCAD-GHMZBOCLSA-N 1 0 228.336 1.045 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C1CC1 ZINC000128928150 411190608 /nfs/dbraw/zinc/19/06/08/411190608.db2.gz LHBLDHKTTUGIDV-ONGXEEELSA-N 1 0 212.337 1.617 10 0 BDAERO CC[C@@]1(C(=O)NCC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000128956338 411194076 /nfs/dbraw/zinc/19/40/76/411194076.db2.gz YLGQHPCAQGYRMV-AAEUAGOBSA-N 1 0 240.347 1.204 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCc1ccco1 ZINC000061883519 411194384 /nfs/dbraw/zinc/19/43/84/411194384.db2.gz ONGQXYUMXRMEPV-PWSUYJOCSA-N 1 0 236.315 1.456 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129004345 411197186 /nfs/dbraw/zinc/19/71/86/411197186.db2.gz KGRUPCQNAMGWJO-DCAQKATOSA-N 1 0 214.353 1.911 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCC(F)(F)F ZINC000129055326 411216806 /nfs/dbraw/zinc/21/68/06/411216806.db2.gz RJBRTVHXANSCTO-ZETCQYMHSA-N 1 0 226.242 1.428 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000653902138 411217642 /nfs/dbraw/zinc/21/76/42/411217642.db2.gz LKDKNUXAGZXMRA-DGCLKSJQSA-N 1 0 245.363 1.009 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1C ZINC000128845626 411246824 /nfs/dbraw/zinc/24/68/24/411246824.db2.gz FCGCXFRPYLPOIF-WDEREUQCSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)CS1 ZINC000655764079 411224644 /nfs/dbraw/zinc/22/46/44/411224644.db2.gz VJHLSOKWVPFJTP-ZNSHCXBVSA-N 1 0 242.388 1.527 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCS1 ZINC000129143026 411233026 /nfs/dbraw/zinc/23/30/26/411233026.db2.gz LWYZUXCGRQKFQN-NXEZZACHSA-N 1 0 230.377 1.372 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000310423472 411237094 /nfs/dbraw/zinc/23/70/94/411237094.db2.gz ZMUIPVGLJFPRNR-NQBHXWOUSA-N 1 0 239.315 1.545 10 0 BDAERO COc1ccccc1N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000049972263 411247955 /nfs/dbraw/zinc/24/79/55/411247955.db2.gz BBTIQLSRQRDCFE-NSHDSACASA-N 1 0 248.326 1.658 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2cc(N)n[nH]2)C1 ZINC000616658251 411241025 /nfs/dbraw/zinc/24/10/25/411241025.db2.gz CLKRFDDFKJEVAT-SECBINFHSA-N 1 0 238.335 1.206 10 0 BDAERO C[C@@H]([NH3+])CNc1nccc2ccccc21 ZINC000123791599 411166552 /nfs/dbraw/zinc/16/65/52/411166552.db2.gz FRQWOAJYOIIVTN-SECBINFHSA-N 1 0 201.273 1.994 10 0 BDAERO CN(C)c1ccc(C(=O)NCC[NH2+]C2CC2)cc1 ZINC000054265701 411264187 /nfs/dbraw/zinc/26/41/87/411264187.db2.gz AJXBLCYCFHLQPJ-UHFFFAOYSA-N 1 0 247.342 1.234 10 0 BDAERO Cn1ccc([C@H]2[NH2+]CC23CCOCC3)c1 ZINC000536958800 411265965 /nfs/dbraw/zinc/26/59/65/411265965.db2.gz ILQFMNNUEFBXSY-LLVKDONJSA-N 1 0 206.289 1.466 10 0 BDAERO Cc1cccc(CNC(=O)C2CCC([NH3+])CC2)n1 ZINC000051576698 411274601 /nfs/dbraw/zinc/27/46/01/411274601.db2.gz OFQHBTYZIGMTBN-UHFFFAOYSA-N 1 0 247.342 1.524 10 0 BDAERO Nc1cc([C@@H]2CCCC[N@@H+]2CCO)ccn1 ZINC000616615852 411280291 /nfs/dbraw/zinc/28/02/91/411280291.db2.gz CHANUYFPOBVPEF-NSHDSACASA-N 1 0 221.304 1.183 10 0 BDAERO CC[C@H](COC)NC(=O)C1CCC([NH3+])CC1 ZINC000070659032 411286337 /nfs/dbraw/zinc/28/63/37/411286337.db2.gz TVSQHBGYXIGZID-VQXHTEKXSA-N 1 0 228.336 1.045 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)C[C@@H]12 ZINC000659304799 411297596 /nfs/dbraw/zinc/29/75/96/411297596.db2.gz CUNQKSNASCHBFX-YOVYLDAJSA-N 1 0 248.370 1.618 10 0 BDAERO Cc1cnc(N(C)CC(C)(C)[NH3+])nc1C ZINC000656608505 411307817 /nfs/dbraw/zinc/30/78/17/411307817.db2.gz GKEQSPWHNKHIKR-UHFFFAOYSA-N 1 0 208.309 1.267 10 0 BDAERO COc1cc(NCC2([NH3+])CCCC2)ncn1 ZINC000656610680 411308448 /nfs/dbraw/zinc/30/84/48/411308448.db2.gz OBBUSWAMDRONME-UHFFFAOYSA-N 1 0 222.292 1.169 10 0 BDAERO [NH3+]C1(CNc2ccnc3cccnc32)CCCC1 ZINC000656610480 411308582 /nfs/dbraw/zinc/30/85/82/411308582.db2.gz HAQITLIIPGVJPF-UHFFFAOYSA-N 1 0 242.326 1.735 10 0 BDAERO Cc1nc(N2CC3CC2(C[NH3+])C3)sc1C ZINC000656610516 411308841 /nfs/dbraw/zinc/30/88/41/411308841.db2.gz CWWBCFCSMDEAIM-UHFFFAOYSA-N 1 0 223.345 1.687 10 0 BDAERO CN1C[C@H](C[NH2+][C@H]2CCCC23CCC3)CC1=O ZINC000658240736 411309335 /nfs/dbraw/zinc/30/93/35/411309335.db2.gz JFRQNDSOQNGUNT-RYUDHWBXSA-N 1 0 236.359 1.777 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000658242837 411310266 /nfs/dbraw/zinc/31/02/66/411310266.db2.gz LINGDQPJUKFVSG-ONGXEEELSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658246069 411311245 /nfs/dbraw/zinc/31/12/45/411311245.db2.gz WYPGNODKECOQBM-UWVGGRQHSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@@H]1CCO[C@@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000124947504 411332290 /nfs/dbraw/zinc/33/22/90/411332290.db2.gz CGUAUKDVYONNLG-VGMNWLOBSA-N 1 0 223.276 1.592 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCCCC1 ZINC000128853496 411253250 /nfs/dbraw/zinc/25/32/50/411253250.db2.gz NFONARHFBMFZBO-LLVKDONJSA-N 1 0 212.337 1.762 10 0 BDAERO C[C@]1(C(=O)NCC[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000062858116 411326660 /nfs/dbraw/zinc/32/66/60/411326660.db2.gz BPAIRSHXHWCRNG-AAEUAGOBSA-N 1 0 240.347 1.061 10 0 BDAERO Cc1ccc(C)c(OCCn2cc(C[NH3+])nn2)c1 ZINC000050224740 411254207 /nfs/dbraw/zinc/25/42/07/411254207.db2.gz VEQVSNJMFQQJFA-UHFFFAOYSA-N 1 0 246.314 1.433 10 0 BDAERO Cc1cc(C)cc(Cn2cc(C[NH3+])nn2)c1 ZINC000050224524 411254612 /nfs/dbraw/zinc/25/46/12/411254612.db2.gz NQCIWDSZRABVSW-UHFFFAOYSA-N 1 0 216.288 1.402 10 0 BDAERO CC1(C)CC[C@]([NH3+])(C(N)=O)c2ccccc21 ZINC000037870630 167943773 /nfs/dbraw/zinc/94/37/73/167943773.db2.gz DDFRKHZZBSVSAE-CYBMUJFWSA-N 1 0 218.300 1.397 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCOc2ccccc2C1 ZINC000062115857 411349391 /nfs/dbraw/zinc/34/93/91/411349391.db2.gz GEZSAAOFXIQQPK-NSHDSACASA-N 1 0 246.310 1.017 10 0 BDAERO CC(C)Oc1cncc(NCC[NH2+]C2CC2)n1 ZINC000071176102 411354639 /nfs/dbraw/zinc/35/46/39/411354639.db2.gz RHIWIKZWQWGIPV-UHFFFAOYSA-N 1 0 236.319 1.428 10 0 BDAERO OCC1CC([NH2+][C@H]2CCCSCC2)C1 ZINC000658352362 411355464 /nfs/dbraw/zinc/35/54/64/411355464.db2.gz FLQXQEACIRKEFO-YVNMAJEFSA-N 1 0 215.362 1.633 10 0 BDAERO C[C@@H](Cn1ccnc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000304263098 411356526 /nfs/dbraw/zinc/35/65/26/411356526.db2.gz UGYZWKQMASWHIL-WDEREUQCSA-N 1 0 225.336 1.268 10 0 BDAERO C[C@H]1CCCN(c2ncccc2F)[C@@H]1C[NH3+] ZINC000069727350 411357487 /nfs/dbraw/zinc/35/74/87/411357487.db2.gz OJXSNURLUMKCIQ-GXSJLCMTSA-N 1 0 223.295 1.784 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@H](CC)OC[C@H]1CC ZINC000403863786 411363738 /nfs/dbraw/zinc/36/37/38/411363738.db2.gz ZYBBVRNOXCQMEP-WOPDTQHZSA-N 1 0 242.363 1.530 10 0 BDAERO C[N@@H+]1CCC[C@H]1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000403913948 411365222 /nfs/dbraw/zinc/36/52/22/411365222.db2.gz AHRZAUUOGXBANY-MNOVXSKESA-N 1 0 248.317 1.030 10 0 BDAERO Cc1noc2ncnc(NC[C@H]3CCC[NH2+]C3)c12 ZINC000071194715 411365264 /nfs/dbraw/zinc/36/52/64/411365264.db2.gz NQNOPVPBZCMFPU-VIFPVBQESA-N 1 0 247.302 1.338 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403214613 411335654 /nfs/dbraw/zinc/33/56/54/411335654.db2.gz GIPGHKSXSZRSIW-MICYEWLZSA-N 1 0 236.359 1.809 10 0 BDAERO COC[C@@H](CC[NH2+]C[C@@H](O)C(C)(C)C)OC ZINC000656705252 411340805 /nfs/dbraw/zinc/34/08/05/411340805.db2.gz NPLZBXDIFCDYOZ-GHMZBOCLSA-N 1 0 233.352 1.035 10 0 BDAERO CC1([NH2+][C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000042177122 168064397 /nfs/dbraw/zinc/06/43/97/168064397.db2.gz YDRAWLKHAIQSJP-SECBINFHSA-N 1 0 217.334 1.096 10 0 BDAERO C[C@]1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1(F)F ZINC000659362408 411377711 /nfs/dbraw/zinc/37/77/11/411377711.db2.gz PHMSCKNGUJWDBE-ATZCPNFKSA-N 1 0 246.301 1.523 10 0 BDAERO CC1CCC(OCC(=O)N(C)CCC[NH3+])CC1 ZINC000037050987 168166320 /nfs/dbraw/zinc/16/63/20/168166320.db2.gz FXDPHBGJGMAGJX-UHFFFAOYSA-N 1 0 242.363 1.389 10 0 BDAERO CC1CCC(O)(C[N@@H+]2CCO[C@H](CF)C2)CC1 ZINC000336280004 168167244 /nfs/dbraw/zinc/16/72/44/168167244.db2.gz LGZBQRUKLUEQOR-OTTFEQOBSA-N 1 0 245.338 1.598 10 0 BDAERO CC1CCN(C(=O)[C@@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000051791884 168174427 /nfs/dbraw/zinc/17/44/27/168174427.db2.gz UFKNILTYTIDBOM-NWDGAFQWSA-N 1 0 224.348 1.633 10 0 BDAERO CC1CCN(C(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000019518897 168175186 /nfs/dbraw/zinc/17/51/86/168175186.db2.gz OPBXMFGXSYMUHA-NEPJUHHUSA-N 1 0 224.348 1.776 10 0 BDAERO CC1CCN([C@@H](C[NH3+])c2ccccn2)CC1 ZINC000019398471 168186347 /nfs/dbraw/zinc/18/63/47/168186347.db2.gz AIAGOMVDVFDSBU-ZDUSSCGKSA-N 1 0 219.332 1.813 10 0 BDAERO CCC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000038000149 168219701 /nfs/dbraw/zinc/21/97/01/168219701.db2.gz YTFCHLFUDSYVDY-QWRGUYRKSA-N 1 0 210.321 1.387 10 0 BDAERO CCC(=O)N1CC[N@@H+]([C@@H]2CC[C@H](C)C2)C1 ZINC000335116273 168221223 /nfs/dbraw/zinc/22/12/23/168221223.db2.gz MPRUSWVQZSINGW-WDEREUQCSA-N 1 0 210.321 1.687 10 0 BDAERO COC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000404248982 411386533 /nfs/dbraw/zinc/38/65/33/411386533.db2.gz XUWDTWRAXJFTJU-GHMZBOCLSA-N 1 0 242.363 1.245 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000034938653 168293491 /nfs/dbraw/zinc/29/34/91/168293491.db2.gz RHBMKVIFKLSGMJ-GHMZBOCLSA-N 1 0 242.363 1.448 10 0 BDAERO CCC(C)(C)OCC(=O)N1CCC[NH2+]CC1 ZINC000042355113 168302785 /nfs/dbraw/zinc/30/27/85/168302785.db2.gz UDZIGBNEDPQZKJ-UHFFFAOYSA-N 1 0 228.336 1.014 10 0 BDAERO Cc1nc(C[NH2+]CC[C@@H]2CCCO2)[nH]c1C ZINC000657304895 411456687 /nfs/dbraw/zinc/45/66/87/411456687.db2.gz STQVTHVPIDGIOL-NSHDSACASA-N 1 0 223.320 1.685 10 0 BDAERO Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCO2)n1C ZINC000657308810 411457888 /nfs/dbraw/zinc/45/78/88/411457888.db2.gz CCOOIACPKVODEQ-BXKDBHETSA-N 1 0 223.320 1.386 10 0 BDAERO C[C@H](COCc1ccccc1)[NH2+]CC(C)(C)O ZINC000306775529 411458824 /nfs/dbraw/zinc/45/88/24/411458824.db2.gz WZLLSVKXSZMYHL-GFCCVEGCSA-N 1 0 237.343 1.952 10 0 BDAERO Cc1nc(C[NH2+][C@@H](C)[C@H]2CCCO2)[nH]c1C ZINC000657310086 411459471 /nfs/dbraw/zinc/45/94/71/411459471.db2.gz VXOFIHQDSJYJIF-WDEREUQCSA-N 1 0 223.320 1.684 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659951821 411394427 /nfs/dbraw/zinc/39/44/27/411394427.db2.gz FEAPVWBDENMSJN-RVMXOQNASA-N 1 0 209.333 1.737 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccoc1 ZINC000659360127 411403188 /nfs/dbraw/zinc/40/31/88/411403188.db2.gz FGBGWXCFDRURJE-ZYHUDNBSSA-N 1 0 236.315 1.326 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)NCC2=CCCC2)C1 ZINC000659379425 411406619 /nfs/dbraw/zinc/40/66/19/411406619.db2.gz HEKOOTHFCLBGLP-RYUDHWBXSA-N 1 0 222.332 1.730 10 0 BDAERO COCc1ccc(C[NH2+]CC2CC(O)C2)o1 ZINC000382674517 411409082 /nfs/dbraw/zinc/40/90/82/411409082.db2.gz YDQIHJXIGZCSQK-UHFFFAOYSA-N 1 0 225.288 1.287 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCCC(F)(F)C1 ZINC000405084574 411416630 /nfs/dbraw/zinc/41/66/30/411416630.db2.gz RPUAPHWOASPVJK-SNVBAGLBSA-N 1 0 246.301 1.776 10 0 BDAERO C[NH2+][C@H]1CCN(c2nc(C)cc(C(C)C)n2)C1 ZINC000122600277 411434005 /nfs/dbraw/zinc/43/40/05/411434005.db2.gz QWILYSOWHNNKPQ-NSHDSACASA-N 1 0 234.347 1.707 10 0 BDAERO CCO[C@@H]1CN(c2cc(C)ccn2)C[C@H]1C[NH3+] ZINC000405552990 411434468 /nfs/dbraw/zinc/43/44/68/411434468.db2.gz ZQHVFHJLGPFMFG-VXGBXAGGSA-N 1 0 235.331 1.190 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCSC1 ZINC000128902442 411441822 /nfs/dbraw/zinc/44/18/22/411441822.db2.gz GLAWVLWUEJWFGS-ZJUUUORDSA-N 1 0 230.377 1.324 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCSC1 ZINC000128902879 411442322 /nfs/dbraw/zinc/44/23/22/411442322.db2.gz GLAWVLWUEJWFGS-UWVGGRQHSA-N 1 0 230.377 1.324 10 0 BDAERO COC(=O)[C@H]1C[N@H+](C)CC[C@@H]1c1ccccc1 ZINC000002002165 411464035 /nfs/dbraw/zinc/46/40/35/411464035.db2.gz WMVXAQQBRYETCJ-OLZOCXBDSA-N 1 0 233.311 1.895 10 0 BDAERO CC(C)(CC[N@@H+]1CCO[C@H](CO)C1)C1CC1 ZINC000406039013 411449061 /nfs/dbraw/zinc/44/90/61/411449061.db2.gz OYJYRVDDMFNWSJ-LBPRGKRZSA-N 1 0 227.348 1.506 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657360827 411476797 /nfs/dbraw/zinc/47/67/97/411476797.db2.gz VIWHDQNNLMZUGK-NEPJUHHUSA-N 1 0 235.331 1.222 10 0 BDAERO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2O)[nH]c1C ZINC000657360767 411477280 /nfs/dbraw/zinc/47/72/80/411477280.db2.gz SJFQDVKWIQJALO-WDEREUQCSA-N 1 0 223.320 1.420 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CO1 ZINC000657372916 411486316 /nfs/dbraw/zinc/48/63/16/411486316.db2.gz LLFMWDGOJKKYPQ-YVECIDJPSA-N 1 0 227.348 1.695 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000300359717 411489716 /nfs/dbraw/zinc/48/97/16/411489716.db2.gz QSTYUXDQZOUCRE-WYUUTHIRSA-N 1 0 224.348 1.666 10 0 BDAERO OCCN1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659891240 411491677 /nfs/dbraw/zinc/49/16/77/411491677.db2.gz LVBLLPQOGZTVAY-CLLJXQQHSA-N 1 0 238.375 1.079 10 0 BDAERO C[N@H+](CCn1cccn1)C[C@H]1CCC[C@@H](O)C1 ZINC000659919698 411497748 /nfs/dbraw/zinc/49/77/48/411497748.db2.gz SFUOAKWOWFZUTK-QWHCGFSZSA-N 1 0 237.347 1.366 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000328469959 170013918 /nfs/dbraw/zinc/01/39/18/170013918.db2.gz KWSMHZRLNHOPIS-DGCLKSJQSA-N 1 0 248.374 1.481 10 0 BDAERO CCN1CC[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000328388639 170020987 /nfs/dbraw/zinc/02/09/87/170020987.db2.gz XFHSOMTVBPREON-NSHDSACASA-N 1 0 214.353 1.343 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000328286476 170021618 /nfs/dbraw/zinc/02/16/18/170021618.db2.gz SZSOZZLZYSUFOQ-QWRGUYRKSA-N 1 0 214.378 1.423 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)C2CCOCC2)C1 ZINC000328352589 170022115 /nfs/dbraw/zinc/02/21/15/170022115.db2.gz NVUWBKPBBKDLBR-YPMHNXCESA-N 1 0 226.364 1.485 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000328469960 170022237 /nfs/dbraw/zinc/02/22/37/170022237.db2.gz KWSMHZRLNHOPIS-WCQYABFASA-N 1 0 248.374 1.481 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)COC)C1 ZINC000336779234 170029201 /nfs/dbraw/zinc/02/92/01/170029201.db2.gz NQAZRYUFEJRRHL-NEPJUHHUSA-N 1 0 228.380 1.589 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](OC)C2CC2)C1 ZINC000339526787 170038210 /nfs/dbraw/zinc/03/82/10/170038210.db2.gz FDKYGFORJRDZEL-CYZMBNFOSA-N 1 0 226.364 1.341 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000309648564 170038246 /nfs/dbraw/zinc/03/82/46/170038246.db2.gz NFBHLOYJEYNESC-YNEHKIRRSA-N 1 0 226.364 1.343 10 0 BDAERO CCNC(=O)CN(C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902250 170055542 /nfs/dbraw/zinc/05/55/42/170055542.db2.gz XRRFGMRPBJPLAS-BXUZGUMPSA-N 1 0 249.358 1.143 10 0 BDAERO CCNC(=O)CN(CC)Cc1cccc(C[NH3+])c1 ZINC000042367768 170057029 /nfs/dbraw/zinc/05/70/29/170057029.db2.gz BBGIYAAYAPSAIL-UHFFFAOYSA-N 1 0 249.358 1.103 10 0 BDAERO CCNC(=O)CN(CC)[C@@H](C[NH3+])c1ccccc1 ZINC000042899351 170057202 /nfs/dbraw/zinc/05/72/02/170057202.db2.gz UEHLAVUGYYVJBU-ZDUSSCGKSA-N 1 0 249.358 1.144 10 0 BDAERO CCNC(=O)COc1ccccc1[C@H]([NH3+])CC ZINC000022171803 170068759 /nfs/dbraw/zinc/06/87/59/170068759.db2.gz RHBUROUMTUNNTN-LLVKDONJSA-N 1 0 236.315 1.611 10 0 BDAERO CCNC(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000037748035 170083026 /nfs/dbraw/zinc/08/30/26/170083026.db2.gz BUBMGZRHCZOMAC-SECBINFHSA-N 1 0 221.304 1.525 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009904 170088035 /nfs/dbraw/zinc/08/80/35/170088035.db2.gz WUJXPWUKLDVAPN-PWSUYJOCSA-N 1 0 248.326 1.104 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccncc1 ZINC000076610722 170090217 /nfs/dbraw/zinc/09/02/17/170090217.db2.gz HKMZMZYYJVEYJU-NSHDSACASA-N 1 0 221.304 1.040 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1ccc(F)cc1 ZINC000076620479 170097789 /nfs/dbraw/zinc/09/77/89/170097789.db2.gz OHGNGNKMZRCGNP-GFCCVEGCSA-N 1 0 238.306 1.784 10 0 BDAERO CC[NH2+]C(C)(C)c1nc2cccnc2[nH]1 ZINC000061149868 170107137 /nfs/dbraw/zinc/10/71/37/170107137.db2.gz IKQHCIUGMXBCSR-UHFFFAOYSA-N 1 0 204.277 1.803 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C)nn1C ZINC000061287815 170107841 /nfs/dbraw/zinc/10/78/41/170107841.db2.gz YXVHCSKBMUUNNW-UHFFFAOYSA-N 1 0 224.308 1.055 10 0 BDAERO CCN[C@@]1(C(=O)OCC)C=CC([NH2+]CC)=CC1 ZINC000100330572 170108819 /nfs/dbraw/zinc/10/88/19/170108819.db2.gz DKORPGUAQPPIDL-ZDUSSCGKSA-N 1 0 238.331 1.351 10 0 BDAERO CC[NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000044294283 170109522 /nfs/dbraw/zinc/10/95/22/170109522.db2.gz GPNPLLYBJRZBJG-NEPJUHHUSA-N 1 0 224.348 1.777 10 0 BDAERO CC[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@@H]23 ZINC000039287550 170110831 /nfs/dbraw/zinc/11/08/31/170110831.db2.gz GLFWKUKQJGKKFZ-GXFFZTMASA-N 1 0 230.311 1.249 10 0 BDAERO CC[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@@H]23 ZINC000039287551 170110951 /nfs/dbraw/zinc/11/09/51/170110951.db2.gz GLFWKUKQJGKKFZ-ZWNOBZJWSA-N 1 0 230.311 1.249 10 0 BDAERO CC[NH2+]CCC(=O)c1ccc(OC)c(OC)c1 ZINC000049828705 170111481 /nfs/dbraw/zinc/11/14/81/170111481.db2.gz ZSOABNQIWBKXHF-UHFFFAOYSA-N 1 0 237.299 1.886 10 0 BDAERO CC[NH2+]CCC(=O)N1CC[C@H](C)C[C@@H]1C ZINC000061299423 170111510 /nfs/dbraw/zinc/11/15/10/170111510.db2.gz UHJYASFGTUTWIO-QWRGUYRKSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]CCCNc1nc(C)cnc1C ZINC000038043419 170112338 /nfs/dbraw/zinc/11/23/38/170112338.db2.gz PELCXPHZMUIFNK-UHFFFAOYSA-N 1 0 208.309 1.505 10 0 BDAERO CC[NH2+]CCCNc1cc(C)nc(C)n1 ZINC000038043396 170112641 /nfs/dbraw/zinc/11/26/41/170112641.db2.gz UJLKKCIHTZJCOE-UHFFFAOYSA-N 1 0 208.309 1.505 10 0 BDAERO CC[NH2+]CCCNc1cc(C)cc2ncnn21 ZINC000038043504 170113078 /nfs/dbraw/zinc/11/30/78/170113078.db2.gz SNAHHNVFROCNNG-UHFFFAOYSA-N 1 0 233.319 1.449 10 0 BDAERO CC[NH2+]CCCc1nnc(-c2ncccc2C)o1 ZINC000051813803 170113421 /nfs/dbraw/zinc/11/34/21/170113421.db2.gz UBZUTQJZDLQIPU-UHFFFAOYSA-N 1 0 246.314 1.982 10 0 BDAERO CC[NH2+]CC[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055083086 170116241 /nfs/dbraw/zinc/11/62/41/170116241.db2.gz ZGBDSAKQUWIZKT-CQSZACIVSA-N 1 0 241.423 1.648 10 0 BDAERO CC[NH2+]CCOC(F)(F)C(F)(F)F ZINC000096308336 170116599 /nfs/dbraw/zinc/11/65/99/170116599.db2.gz PUELQMKJKMKFBO-UHFFFAOYSA-N 1 0 207.142 1.768 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCCCC1 ZINC000061227120 170118132 /nfs/dbraw/zinc/11/81/32/170118132.db2.gz FRZOIOBMLRKECY-LLVKDONJSA-N 1 0 212.337 1.635 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(CC)Cc1ccco1 ZINC000061236600 170117964 /nfs/dbraw/zinc/11/79/64/170117964.db2.gz RCDJMJADPQDXFI-LLVKDONJSA-N 1 0 238.331 1.874 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1ccc(OC)cc1 ZINC000071511706 170118738 /nfs/dbraw/zinc/11/87/38/170118738.db2.gz PVCGPESHGAXYFH-NSHDSACASA-N 1 0 209.289 1.208 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000032014556 170118974 /nfs/dbraw/zinc/11/89/74/170118974.db2.gz FCFVVCGYPIGTIP-GFCCVEGCSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccncc1 ZINC000061229527 170119191 /nfs/dbraw/zinc/11/91/91/170119191.db2.gz CVAVDBALAPVECN-MNOVXSKESA-N 1 0 235.331 1.504 10 0 BDAERO CC[NH2+]C[C@@H](CC)N(C)CCc1ccncc1 ZINC000052483043 170119192 /nfs/dbraw/zinc/11/91/92/170119192.db2.gz MJZUHBYHGNQAOR-CQSZACIVSA-N 1 0 235.375 1.944 10 0 BDAERO CC[NH2+]C[C@@H](C)c1nc(-c2ccccn2)no1 ZINC000061219932 170119412 /nfs/dbraw/zinc/11/94/12/170119412.db2.gz SVASQTLSBMYXAV-SECBINFHSA-N 1 0 232.287 1.845 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1ncccc1C ZINC000053696423 170119606 /nfs/dbraw/zinc/11/96/06/170119606.db2.gz XGUFPJGOEULMQG-LBPRGKRZSA-N 1 0 219.332 1.968 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc(OC)c(Cl)c1 ZINC000049821523 170120145 /nfs/dbraw/zinc/12/01/45/170120145.db2.gz VMMKCILREQHXKZ-SNVBAGLBSA-N 1 0 229.707 1.992 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1ccc(OCC)cc1 ZINC000032014606 170120913 /nfs/dbraw/zinc/12/09/13/170120913.db2.gz IWVMKMOECRFNIO-CYBMUJFWSA-N 1 0 223.316 1.902 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1ccc(F)c(C)c1 ZINC000032012544 170121349 /nfs/dbraw/zinc/12/13/49/170121349.db2.gz GYNXBWOCVKCEED-GFCCVEGCSA-N 1 0 211.280 1.951 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)Cc1ccccc1 ZINC000062189123 170121949 /nfs/dbraw/zinc/12/19/49/170121949.db2.gz FWPGXWLTWVQPGN-STQMWFEESA-N 1 0 248.370 1.979 10 0 BDAERO CC[NH2+]C[C@H](C)c1nc2cccnc2[nH]1 ZINC000061219439 170122023 /nfs/dbraw/zinc/12/20/23/170122023.db2.gz ZWUQVXBTMRFQNA-QMMMGPOBSA-N 1 0 204.277 1.671 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C)C1 ZINC000061227103 170122281 /nfs/dbraw/zinc/12/22/81/170122281.db2.gz YEOICWPNCGUHBN-QWRGUYRKSA-N 1 0 212.337 1.491 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000071518926 170122599 /nfs/dbraw/zinc/12/25/99/170122599.db2.gz OILYRYMTQDNTHJ-LLVKDONJSA-N 1 0 213.708 1.853 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1ccc(OC)cc1 ZINC000071511705 170122752 /nfs/dbraw/zinc/12/27/52/170122752.db2.gz PVCGPESHGAXYFH-LLVKDONJSA-N 1 0 209.289 1.208 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccccc1OCC ZINC000004401904 170122758 /nfs/dbraw/zinc/12/27/58/170122758.db2.gz BNPMDBJUXVDFRI-NSHDSACASA-N 1 0 239.315 1.435 10 0 BDAERO CC[NH2+]Cc1c(-n2ccnc2)nc2sccn12 ZINC000035430378 170123435 /nfs/dbraw/zinc/12/34/35/170123435.db2.gz ZHZWLJGCMDICIJ-UHFFFAOYSA-N 1 0 247.327 1.691 10 0 BDAERO CC[NH2+]Cc1ccc(CN2CCOCC2)s1 ZINC000045206494 170126988 /nfs/dbraw/zinc/12/69/88/170126988.db2.gz NMBFCBPLXCCLDC-UHFFFAOYSA-N 1 0 240.372 1.690 10 0 BDAERO CC[NH2+]Cc1cccc(-n2ccnc2CC)n1 ZINC000051517856 170128090 /nfs/dbraw/zinc/12/80/90/170128090.db2.gz FBSNOJAESNLOMY-UHFFFAOYSA-N 1 0 230.315 1.939 10 0 BDAERO CC[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000045205622 170128681 /nfs/dbraw/zinc/12/86/81/170128681.db2.gz SDBDCVBXNZBFTQ-UHFFFAOYSA-N 1 0 234.343 1.628 10 0 BDAERO CC[NH2+]Cc1ccnc(-c2ncccc2C)n1 ZINC000054791248 170129286 /nfs/dbraw/zinc/12/92/86/170129286.db2.gz HYMWWTAIUNRZRD-UHFFFAOYSA-N 1 0 228.299 1.957 10 0 BDAERO CC[NH2+]Cc1ccnc(-n2ccnc2C)c1 ZINC000051490985 170129599 /nfs/dbraw/zinc/12/95/99/170129599.db2.gz IATGWKXAAJICBG-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1cnn(-c2ccc(C)cc2)n1 ZINC000051174649 170130020 /nfs/dbraw/zinc/13/00/20/170130020.db2.gz JKKRYQGUHSOYFJ-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1cnn([C@H]2CCC[C@@H]2O)c1 ZINC000054599520 170130267 /nfs/dbraw/zinc/13/02/67/170130267.db2.gz JQZGKCGVCSAUAN-QWRGUYRKSA-N 1 0 209.293 1.079 10 0 BDAERO CC[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000040443673 170130442 /nfs/dbraw/zinc/13/04/42/170130442.db2.gz WRNKPKBKSPAZTE-UHFFFAOYSA-N 1 0 220.301 1.710 10 0 BDAERO CC[NH2+]Cc1nnnn1C1CCCCC1 ZINC000033648662 170131978 /nfs/dbraw/zinc/13/19/78/170131978.db2.gz DAANBNVOYCQJPT-UHFFFAOYSA-N 1 0 209.297 1.288 10 0 BDAERO CC[NH2+]Cc1sc(COC)nc1COC ZINC000082446612 170133059 /nfs/dbraw/zinc/13/30/59/170133059.db2.gz RUEMGINYNMJVNQ-UHFFFAOYSA-N 1 0 230.333 1.545 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)Nc1cnn(C(C)C)c1 ZINC000061683473 170139020 /nfs/dbraw/zinc/13/90/20/170139020.db2.gz VLQSCHQVLKBBFI-JTQLQIEISA-N 1 0 238.335 1.791 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)NCc1ncccc1C ZINC000071344793 170139354 /nfs/dbraw/zinc/13/93/54/170139354.db2.gz GDRDOTFVTYAUCA-NSHDSACASA-N 1 0 235.331 1.394 10 0 BDAERO CC[NH2+][C@@H](C)c1ccc(-n2cnnc2)cc1 ZINC000055170194 170141160 /nfs/dbraw/zinc/14/11/60/170141160.db2.gz CBXFCQXEBODILR-JTQLQIEISA-N 1 0 216.288 1.938 10 0 BDAERO CC[NH2+][C@@H](C)c1cnn([C@@H]2CCC[C@@H]2O)c1C ZINC000054599603 170142733 /nfs/dbraw/zinc/14/27/33/170142733.db2.gz FUTTXPYDBCOIBO-BIMULSAOSA-N 1 0 237.347 1.948 10 0 BDAERO CCN[C@@H](CC[N@H+](CC)C1CCCC1)C(N)=O ZINC000062448465 170145148 /nfs/dbraw/zinc/14/51/48/170145148.db2.gz UEBSJCRBQNTGAN-LBPRGKRZSA-N 1 0 241.379 1.104 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cccnc2)C1 ZINC000037483516 170151326 /nfs/dbraw/zinc/15/13/26/170151326.db2.gz AAXCBBICBJBUGR-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000104194849 170151653 /nfs/dbraw/zinc/15/16/53/170151653.db2.gz JAMZZDIQSVGSMH-BFHYXJOUSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cccnc2)C[C@@H]1C ZINC000049712445 170152019 /nfs/dbraw/zinc/15/20/19/170152019.db2.gz IBCYUZCVGWLDSN-GXTWGEPZSA-N 1 0 233.359 1.902 10 0 BDAERO CC[NH2+][C@@H]1CCN(CCOc2ccccc2)C1 ZINC000042896733 170152242 /nfs/dbraw/zinc/15/22/42/170152242.db2.gz VJRXTWUXKIFYBX-CYBMUJFWSA-N 1 0 234.343 1.749 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@H]1N1CCCOCC1 ZINC000061918053 170152354 /nfs/dbraw/zinc/15/23/54/170152354.db2.gz RPSMELOLIBSKBX-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cnn(CC)c2)C[C@@H]1C ZINC000049711229 170153322 /nfs/dbraw/zinc/15/33/22/170153322.db2.gz FCKXETPEMZHVJM-WCQYABFASA-N 1 0 236.363 1.727 10 0 BDAERO CC[NH2+][C@@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976229 170153542 /nfs/dbraw/zinc/15/35/42/170153542.db2.gz GPXDSWHYXPTLFR-BMIGLBTASA-N 1 0 227.304 1.988 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1ccc(C)cc1C ZINC000037869601 170156072 /nfs/dbraw/zinc/15/60/72/170156072.db2.gz ICWNDUMSLUTFAB-NSHDSACASA-N 1 0 206.289 1.439 10 0 BDAERO CC[NH2+][C@@]1(C(N)=O)C[C@@H](C)CC(C)(C)C1 ZINC000037869534 170156162 /nfs/dbraw/zinc/15/61/62/170156162.db2.gz SZOJLIMLGFJDAC-CABZTGNLSA-N 1 0 212.337 1.666 10 0 BDAERO CC[NH2+][C@@]1(CO)CCc2ccccc2C1 ZINC000038120479 170156178 /nfs/dbraw/zinc/15/61/78/170156178.db2.gz RCFAJOYCCIUERU-ZDUSSCGKSA-N 1 0 205.301 1.516 10 0 BDAERO CC[NH2+][C@H](C)CN(CCOC)[C@@H](C)CC ZINC000043973344 170157218 /nfs/dbraw/zinc/15/72/18/170157218.db2.gz ZIOIOQFAZGJMLI-NEPJUHHUSA-N 1 0 216.369 1.731 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCCC[C@H]1C ZINC000061268690 170157255 /nfs/dbraw/zinc/15/72/55/170157255.db2.gz OZVYYRUGYYBGNU-GHMZBOCLSA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+][C@H](C)c1cc(F)ccc1N(C)CCO ZINC000037899423 170159485 /nfs/dbraw/zinc/15/94/85/170159485.db2.gz OWAZOHVGMRGQGM-SNVBAGLBSA-N 1 0 240.322 1.925 10 0 BDAERO CC[NH2+][C@H](CC)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035545797 170161580 /nfs/dbraw/zinc/16/15/80/170161580.db2.gz PGDFMDQISASUFE-SECBINFHSA-N 1 0 219.288 1.917 10 0 BDAERO CC[NH2+][C@](C)(CO)c1ccc(F)cc1F ZINC000038120118 170170158 /nfs/dbraw/zinc/17/01/58/170170158.db2.gz BUWUGOPSGIEBHE-LLVKDONJSA-N 1 0 215.243 1.782 10 0 BDAERO CC[NH2+][C@H](c1nccs1)[C@@H]1CCOC1 ZINC000041060934 170164724 /nfs/dbraw/zinc/16/47/24/170164724.db2.gz NYLFAASNFHOHAO-BDAKNGLRSA-N 1 0 212.318 1.830 10 0 BDAERO CC[NH2+][C@H]1CCC[C@@H]1OCCCOC ZINC000044107991 170167106 /nfs/dbraw/zinc/16/71/06/170167106.db2.gz TVVFWAHWPQBAEM-QWRGUYRKSA-N 1 0 201.310 1.570 10 0 BDAERO CC[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000049647998 170167435 /nfs/dbraw/zinc/16/74/35/170167435.db2.gz OQWHUFBGZSXZPJ-JTQLQIEISA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000049647870 170167447 /nfs/dbraw/zinc/16/74/47/170167447.db2.gz PKUUWESIGLSZMQ-NSHDSACASA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)c2cccnc2)C1 ZINC000037483645 170167456 /nfs/dbraw/zinc/16/74/56/170167456.db2.gz ZOGYLHZOXSJHTM-AAEUAGOBSA-N 1 0 219.332 1.826 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccccc2COC)C1=O ZINC000049649287 170168104 /nfs/dbraw/zinc/16/81/04/170168104.db2.gz GNZLXZDTGMZFCQ-LBPRGKRZSA-N 1 0 248.326 1.548 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](C(F)F)C1 ZINC000660148311 411546358 /nfs/dbraw/zinc/54/63/58/411546358.db2.gz UFZRGFLUJCLQPL-DJLDLDEBSA-N 1 0 205.248 1.487 10 0 BDAERO CC[NH2+][C@](CC)(C(N)=O)c1ccc(OC)cc1 ZINC000037447604 170170758 /nfs/dbraw/zinc/17/07/58/170170758.db2.gz KPOMCDIFWFCNPM-ZDUSSCGKSA-N 1 0 236.315 1.395 10 0 BDAERO CCOC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904596 170209194 /nfs/dbraw/zinc/20/91/94/170209194.db2.gz AGANSZJLCXYVFX-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO CCOC(=O)CC[NH2+]Cc1cccc(O)c1 ZINC000045686389 170209541 /nfs/dbraw/zinc/20/95/41/170209541.db2.gz AIZZUJCTLVGZBZ-UHFFFAOYSA-N 1 0 223.272 1.435 10 0 BDAERO CCOC(=O)CC[NH2+][C@H]1CCc2c1cccc2O ZINC000045687458 170210263 /nfs/dbraw/zinc/21/02/63/170210263.db2.gz FHOFMQOTADXSAQ-LBPRGKRZSA-N 1 0 249.310 1.922 10 0 BDAERO CCOC(=O)COc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000037723706 170229139 /nfs/dbraw/zinc/22/91/39/170229139.db2.gz MACQTSDGYZBVLE-SNVBAGLBSA-N 1 0 237.299 1.518 10 0 BDAERO CCOC(=O)C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000096234567 170234273 /nfs/dbraw/zinc/23/42/73/170234273.db2.gz PNHBATMHVIVBCW-GFCCVEGCSA-N 1 0 219.284 1.654 10 0 BDAERO CCOC(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950599 170237477 /nfs/dbraw/zinc/23/74/77/170237477.db2.gz BTPJCUDLRKWDSR-UHFFFAOYSA-N 1 0 208.261 1.738 10 0 BDAERO CCOC(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037916271 170239483 /nfs/dbraw/zinc/23/94/83/170239483.db2.gz VIQHYBBDXJPEPM-LLVKDONJSA-N 1 0 226.320 1.607 10 0 BDAERO CCOC(=O)N1CC[C@@H]([NH3+])C12CCCCC2 ZINC000039473107 170240011 /nfs/dbraw/zinc/24/00/11/170240011.db2.gz GCEHKYDEOVWBRJ-SNVBAGLBSA-N 1 0 226.320 1.879 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1ccc(CC)cc1 ZINC000019416034 170242311 /nfs/dbraw/zinc/24/23/11/170242311.db2.gz WYCYPXJVVGOIKU-LBPRGKRZSA-N 1 0 236.315 1.995 10 0 BDAERO CCOC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000035691049 170242718 /nfs/dbraw/zinc/24/27/18/170242718.db2.gz DNIQDKFZSKZFEW-QMMMGPOBSA-N 1 0 200.282 1.121 10 0 BDAERO CCOC(=O)[C@@H](C)Oc1cccc(C[NH3+])c1 ZINC000049954499 170248282 /nfs/dbraw/zinc/24/82/82/170248282.db2.gz ZZLSDAMBMIKDCF-SECBINFHSA-N 1 0 223.272 1.476 10 0 BDAERO CCOC(=O)[C@H](CC[N@H+](C)CC1CCC1)NC ZINC000062532307 170272406 /nfs/dbraw/zinc/27/24/06/170272406.db2.gz DKLVKDHDHAOSEY-LBPRGKRZSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])Cc1ccc(C)o1 ZINC000034964063 170273259 /nfs/dbraw/zinc/27/32/59/170273259.db2.gz DJUTYZNOMSJEPF-VIFPVBQESA-N 1 0 211.261 1.269 10 0 BDAERO CCOC(=O)c1ccc(NC[C@H]([NH3+])CC)nc1 ZINC000111304745 170296937 /nfs/dbraw/zinc/29/69/37/170296937.db2.gz MBXOEFQPVGXGKA-SNVBAGLBSA-N 1 0 237.303 1.408 10 0 BDAERO CCOC(=O)c1cccc(N[C@@H]2CC[NH2+]C2)c1 ZINC000094076185 170298550 /nfs/dbraw/zinc/29/85/50/170298550.db2.gz FFQIMFJXVPNOGZ-GFCCVEGCSA-N 1 0 234.299 1.637 10 0 BDAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1C[C@@H]1C ZINC000186342846 170308414 /nfs/dbraw/zinc/30/84/14/170308414.db2.gz KJSOPNKRNIXWOC-WPRPVWTQSA-N 1 0 237.303 1.095 10 0 BDAERO CCOC1(C)CC[NH+](CC2(O)CCC2)CC1 ZINC000336648366 170318036 /nfs/dbraw/zinc/31/80/36/170318036.db2.gz CNHIESSZYPDAKD-UHFFFAOYSA-N 1 0 227.348 1.792 10 0 BDAERO CCOC1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000040690181 170332791 /nfs/dbraw/zinc/33/27/91/170332791.db2.gz OMTHIRHGJQDAKM-LBPRGKRZSA-N 1 0 226.364 1.629 10 0 BDAERO CCOC1CCN([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000040689309 170332985 /nfs/dbraw/zinc/33/29/85/170332985.db2.gz VHXCRSYSYGZXKK-RYUDHWBXSA-N 1 0 212.337 1.367 10 0 BDAERO CCOCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000063189679 170340351 /nfs/dbraw/zinc/34/03/51/170340351.db2.gz JBRFVBQHBODZSY-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO CCOCCC[N@@H+]1C[C@@H](C)NC[C@H]1CC ZINC000083085231 170375498 /nfs/dbraw/zinc/37/54/98/170375498.db2.gz RLXGRWOEQIDFSP-VXGBXAGGSA-N 1 0 214.353 1.485 10 0 BDAERO CCOCCC[N@@H+]1C[C@H](C)NC[C@H]1CC ZINC000083085233 170375806 /nfs/dbraw/zinc/37/58/06/170375806.db2.gz RLXGRWOEQIDFSP-NWDGAFQWSA-N 1 0 214.353 1.485 10 0 BDAERO CCOCCC[NH2+]Cc1nc(C)c(C)n1C ZINC000022862471 170381483 /nfs/dbraw/zinc/38/14/83/170381483.db2.gz YRKANQCOJHROTH-UHFFFAOYSA-N 1 0 225.336 1.553 10 0 BDAERO CCOCCC[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000034938524 170382351 /nfs/dbraw/zinc/38/23/51/170382351.db2.gz KJRNVIKFWCBROK-GFCCVEGCSA-N 1 0 244.379 1.553 10 0 BDAERO CCOCCN(CC)C(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000104196831 170393449 /nfs/dbraw/zinc/39/34/49/170393449.db2.gz CMYTZWIOIXSKKD-VXGBXAGGSA-N 1 0 242.363 1.260 10 0 BDAERO CCOCC[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339508515 170425591 /nfs/dbraw/zinc/42/55/91/170425591.db2.gz KEBHDYNRQBDEEE-LLVKDONJSA-N 1 0 215.337 1.552 10 0 BDAERO CN1C[C@H](C[NH2+]Cc2ccsc2)CC1=O ZINC000657694426 411580707 /nfs/dbraw/zinc/58/07/07/411580707.db2.gz MOKLGNINRSAWIX-JTQLQIEISA-N 1 0 224.329 1.316 10 0 BDAERO CC(C)C(C[NH2+]C[C@H]1CC(=O)N(C)C1)C(C)C ZINC000657695888 411581049 /nfs/dbraw/zinc/58/10/49/411581049.db2.gz PXCCOXAQUFGWKC-GFCCVEGCSA-N 1 0 240.391 1.983 10 0 BDAERO Cc1cccc(C)c1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657695860 411581449 /nfs/dbraw/zinc/58/14/49/411581449.db2.gz POOGVHAMPOLZDC-ZDUSSCGKSA-N 1 0 246.354 1.871 10 0 BDAERO OCC1CC([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000657809060 411601985 /nfs/dbraw/zinc/60/19/85/411601985.db2.gz SXCHDRZHXKUVKT-WPBUFGDCSA-N 1 0 231.339 1.904 10 0 BDAERO OCC1CC([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000657810951 411602865 /nfs/dbraw/zinc/60/28/65/411602865.db2.gz OAZYCZIITWEWIE-MOENNCHZSA-N 1 0 225.332 1.449 10 0 BDAERO OCC1CC([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000657811434 411602993 /nfs/dbraw/zinc/60/29/93/411602993.db2.gz XEWUPMHTEFNXFP-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO CC(=O)Nc1ccccc1C[NH2+]C1CC(CO)C1 ZINC000657812032 411603539 /nfs/dbraw/zinc/60/35/39/411603539.db2.gz CNYGJVJJBKEBGK-UHFFFAOYSA-N 1 0 248.326 1.506 10 0 BDAERO COc1cc(C[NH2+]C2(C(C)C)CC2)on1 ZINC000660639308 411610841 /nfs/dbraw/zinc/61/08/41/411610841.db2.gz JIOYQNXAXUKVHQ-UHFFFAOYSA-N 1 0 210.277 1.961 10 0 BDAERO CO[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCSCC1 ZINC000660722813 411618881 /nfs/dbraw/zinc/61/88/81/411618881.db2.gz QHNKXHQXIUECFK-GHMZBOCLSA-N 1 0 245.388 1.402 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC000133207634 411655495 /nfs/dbraw/zinc/65/54/95/411655495.db2.gz PVKVKMIDJPXRRE-CQSZACIVSA-N 1 0 234.343 1.315 10 0 BDAERO CCOc1ccc([C@@]2(C)OC[C@H](C[NH3+])O2)cc1 ZINC000049828775 170562572 /nfs/dbraw/zinc/56/25/72/170562572.db2.gz BTSCXSAWBKXGEV-STQMWFEESA-N 1 0 237.299 1.632 10 0 BDAERO CCOc1cccc([C@@H](CC[NH3+])C(=O)NC)c1 ZINC000076618922 170585056 /nfs/dbraw/zinc/58/50/56/170585056.db2.gz BVLWUCOKKMTQNT-GFCCVEGCSA-N 1 0 236.315 1.264 10 0 BDAERO CCOc1cccc([C@H](C[NH3+])CC(=O)NC)c1 ZINC000076619044 170585840 /nfs/dbraw/zinc/58/58/40/170585840.db2.gz JKVMUBGAEWXUNV-NSHDSACASA-N 1 0 236.315 1.264 10 0 BDAERO CCS(=O)(=O)c1cccc(OCCC[NH3+])c1 ZINC000096888902 170624237 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171312282 /nfs/dbraw/zinc/31/22/82/171312282.db2.gz QMQKFSKKJMSCBW-JTQLQIEISA-N 1 0 235.331 1.355 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC(CC)(CO)CC1 ZINC000182894806 487622105 /nfs/dbraw/zinc/62/21/05/487622105.db2.gz RBUWWDGBBTWGPZ-NSHDSACASA-N 1 0 242.363 1.125 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@H]1CCCCO1 ZINC000038014724 171322496 /nfs/dbraw/zinc/32/24/96/171322496.db2.gz AAAICCAIOXNKBX-NWDGAFQWSA-N 1 0 242.363 1.450 10 0 BDAERO CC[C@H](C)NC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339508584 171326500 /nfs/dbraw/zinc/32/65/00/171326500.db2.gz PHMSZDBCMCSFAE-JTQLQIEISA-N 1 0 212.337 1.679 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)N1CCCC[C@@H]1C[NH3+] ZINC000044559219 171331134 /nfs/dbraw/zinc/33/11/34/171331134.db2.gz SWVAHZPXYSHSRP-QJPTWQEYSA-N 1 0 241.379 1.103 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1ccco1 ZINC000076611717 171335640 /nfs/dbraw/zinc/33/56/40/171335640.db2.gz VJQGKXVBCWRUKI-VHSXEESVSA-N 1 0 224.304 1.627 10 0 BDAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000037979940 171345019 /nfs/dbraw/zinc/34/50/19/171345019.db2.gz CVSPUKHOUFHYME-GZMMTYOYSA-N 1 0 224.279 1.740 10 0 BDAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccccc1F ZINC000038065735 171347001 /nfs/dbraw/zinc/34/70/01/171347001.db2.gz UBJFUQMCSFAZOO-TVQRCGJNSA-N 1 0 238.306 1.914 10 0 BDAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc2c(c1)CCO2 ZINC000038065113 171347667 /nfs/dbraw/zinc/34/76/67/171347667.db2.gz JLAWKTCWMNRTRE-ZANVPECISA-N 1 0 248.326 1.536 10 0 BDAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(F)c(F)c1 ZINC000038064877 171348165 /nfs/dbraw/zinc/34/81/65/171348165.db2.gz XQCCYMVGUMHOFH-CPCISQLKSA-N 1 0 242.269 1.879 10 0 BDAERO CC[C@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000336767844 171348467 /nfs/dbraw/zinc/34/84/67/171348467.db2.gz SUEJWXOMYUPPLG-CMPLNLGQSA-N 1 0 215.337 1.552 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CSc1ncccn1 ZINC000087541460 171372643 /nfs/dbraw/zinc/37/26/43/171372643.db2.gz SFKLTUQISSYCQY-IUCAKERBSA-N 1 0 211.334 1.942 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CN(CCCOC)CCOC ZINC000042425426 171372838 /nfs/dbraw/zinc/37/28/38/171372838.db2.gz BDKMOKGOXSCHRA-STQMWFEESA-N 1 0 246.395 1.345 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)c1ccc(C[NH3+])cn1 ZINC000104219529 171387974 /nfs/dbraw/zinc/38/79/74/171387974.db2.gz IZLQIVQFXWMUAG-UWVGGRQHSA-N 1 0 235.331 1.705 10 0 BDAERO CC[C@H](C)[C@H](C[NH3+])N1CCOCC1(C)C ZINC000042461443 171392215 /nfs/dbraw/zinc/39/22/15/171392215.db2.gz TUESHUHMSNFKOQ-QWRGUYRKSA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000037823932 171393304 /nfs/dbraw/zinc/39/33/04/171393304.db2.gz JAQVBJMUZGNRBO-GVXVVHGQSA-N 1 0 249.358 1.974 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CCOC)[C@@H](C)CC ZINC000042591019 171394441 /nfs/dbraw/zinc/39/44/41/171394441.db2.gz UKWHHQUYFFDLTQ-SRVKXCTJSA-N 1 0 244.379 1.633 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ncccc1C ZINC000040458849 171396074 /nfs/dbraw/zinc/39/60/74/171396074.db2.gz DTKZLMOAMDQJAF-WPRPVWTQSA-N 1 0 221.304 1.702 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1cccs1 ZINC000662339754 412108166 /nfs/dbraw/zinc/10/81/66/412108166.db2.gz OHUSLFKGEAECGH-IUCAKERBSA-N 1 0 226.345 1.923 10 0 BDAERO COc1c(C[NH2+]C2CC=CC2)c(C)nn1C ZINC000132598992 412121940 /nfs/dbraw/zinc/12/19/40/412121940.db2.gz JEFBHSZGMQUDDU-UHFFFAOYSA-N 1 0 221.304 1.545 10 0 BDAERO C[C@@]1(C(F)F)C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000662368159 412125406 /nfs/dbraw/zinc/12/54/06/412125406.db2.gz YDVWWMZJMKBYDN-KKZNHRDASA-N 1 0 235.274 1.256 10 0 BDAERO CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)n1cncn1 ZINC000042967737 171487551 /nfs/dbraw/zinc/48/75/51/171487551.db2.gz QAJVAMSAUXGDJM-QWHCGFSZSA-N 1 0 230.315 1.913 10 0 BDAERO CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)C(C)(C)C ZINC000336670258 171519193 /nfs/dbraw/zinc/51/91/93/171519193.db2.gz ACIMVSGIQTXELS-NSHDSACASA-N 1 0 247.404 1.835 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCC(=O)NC1(C)C)C1CC1 ZINC000336732863 171547826 /nfs/dbraw/zinc/54/78/26/171547826.db2.gz JPQKSOGFQVJMOB-QWRGUYRKSA-N 1 0 224.348 1.822 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000662426221 412165716 /nfs/dbraw/zinc/16/57/16/412165716.db2.gz VGGWWAQAIOFBDO-NEPJUHHUSA-N 1 0 236.359 1.907 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662647795 412255383 /nfs/dbraw/zinc/25/53/83/412255383.db2.gz ROZGPDPJLIDXBY-WDEREUQCSA-N 1 0 236.359 1.953 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NCCc1ccoc1 ZINC000662662879 412262806 /nfs/dbraw/zinc/26/28/06/412262806.db2.gz KJVBMBODSXVWJS-GFCCVEGCSA-N 1 0 236.315 1.471 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H](CCF)C1 ZINC000662687058 412270665 /nfs/dbraw/zinc/27/06/65/412270665.db2.gz DHTXTDFDJCNNGS-NEPJUHHUSA-N 1 0 244.354 1.958 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H](CCF)C2)C1 ZINC000662688234 412272126 /nfs/dbraw/zinc/27/21/26/412272126.db2.gz NOMINHNDXDPIOR-IJLUTSLNSA-N 1 0 242.338 1.712 10 0 BDAERO CC[C@H](c1nc(C[C@H]2CCCO2)no1)[C@@H](C)[NH3+] ZINC000104153948 171600810 /nfs/dbraw/zinc/60/08/10/171600810.db2.gz OKCMHUMPYADLEY-BBBLOLIVSA-N 1 0 239.319 1.632 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC[C@@H](C)CC ZINC000662626520 412246866 /nfs/dbraw/zinc/24/68/66/412246866.db2.gz INZPGNVZDWCYOK-VHSXEESVSA-N 1 0 200.326 1.666 10 0 BDAERO COC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000662630221 412250170 /nfs/dbraw/zinc/25/01/70/412250170.db2.gz YSPYSKNIECTZFA-QCNOEVLYSA-N 1 0 242.363 1.149 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1cscn1 ZINC000662636869 412252511 /nfs/dbraw/zinc/25/25/11/412252511.db2.gz SPXUJQLXSMARRN-DTWKUNHWSA-N 1 0 241.360 1.694 10 0 BDAERO Cc1c(C[NH3+])c(NC(=O)C2CC(C)C2)nn1C ZINC000662841414 412318773 /nfs/dbraw/zinc/31/87/73/412318773.db2.gz KSMGAJFIQBGIEN-UHFFFAOYSA-N 1 0 236.319 1.172 10 0 BDAERO CC(F)(F)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000662898099 412338300 /nfs/dbraw/zinc/33/83/00/412338300.db2.gz KUABXHLLVGGWCF-SFYZADRCSA-N 1 0 220.263 1.133 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662905613 412340810 /nfs/dbraw/zinc/34/08/10/412340810.db2.gz DKMYTSGUTWGVEI-JTQLQIEISA-N 1 0 210.321 1.563 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000662912499 412343582 /nfs/dbraw/zinc/34/35/82/412343582.db2.gz GVYRVSQWOQKOMJ-KXNHARMFSA-N 1 0 222.332 1.230 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339750733 171699336 /nfs/dbraw/zinc/69/93/36/171699336.db2.gz BZPOOPXNYOPBNP-NEPJUHHUSA-N 1 0 215.337 1.242 10 0 BDAERO CC(C)[C@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000662915017 412344662 /nfs/dbraw/zinc/34/46/62/412344662.db2.gz HGJJRLMXNASMJN-AXFHLTTASA-N 1 0 228.311 1.237 10 0 BDAERO CCCOc1nccnc1NC[C@@H](C)C[NH3+] ZINC000630512067 412359154 /nfs/dbraw/zinc/35/91/54/412359154.db2.gz STHAAIRMJRLUKH-VIFPVBQESA-N 1 0 224.308 1.272 10 0 BDAERO CCc1ccc(C(=O)NC2CC([NH3+])C2)s1 ZINC000043640271 171785025 /nfs/dbraw/zinc/78/50/25/171785025.db2.gz AXMCEKYXSUGKRC-UHFFFAOYSA-N 1 0 224.329 1.530 10 0 BDAERO CCc1ccc(CC[NH2+][C@@H](C)CO)cc1 ZINC000098123879 171792681 /nfs/dbraw/zinc/79/26/81/171792681.db2.gz VWGPZGORNIFUKL-NSHDSACASA-N 1 0 207.317 1.762 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ncnc2ccsc21 ZINC000663278354 412401386 /nfs/dbraw/zinc/40/13/86/412401386.db2.gz GUUPNQHKIVXYIV-SSDOTTSWSA-N 1 0 222.317 1.711 10 0 BDAERO CCCc1nccnc1N[C@H]1CC[NH2+]C1 ZINC000663270798 412403592 /nfs/dbraw/zinc/40/35/92/412403592.db2.gz QHWWNRODCNPWNX-VIFPVBQESA-N 1 0 206.293 1.203 10 0 BDAERO CCCc1nccnc1N1CCC[C@@H](C[NH2+]C)C1 ZINC000663269784 412403921 /nfs/dbraw/zinc/40/39/21/412403921.db2.gz BDBOZBQRAVWCHO-LBPRGKRZSA-N 1 0 248.374 1.865 10 0 BDAERO CCCc1nccnc1N[C@H]1CCC[NH2+][C@H]1C ZINC000663271643 412404532 /nfs/dbraw/zinc/40/45/32/412404532.db2.gz DIIWWUSNJDVRLY-QWRGUYRKSA-N 1 0 234.347 1.982 10 0 BDAERO Cc1nccc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663276167 412405052 /nfs/dbraw/zinc/40/50/52/412405052.db2.gz MLVVRFFLMSBFCR-SNVBAGLBSA-N 1 0 208.309 1.570 10 0 BDAERO CCCc1nccnc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000663275313 412405120 /nfs/dbraw/zinc/40/51/20/412405120.db2.gz WAPPUAVCVMRJJQ-GHMZBOCLSA-N 1 0 234.347 1.968 10 0 BDAERO CCc1cc(CC)nc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663276132 412405348 /nfs/dbraw/zinc/40/53/48/412405348.db2.gz WTEKEABJGVWYFV-UHFFFAOYSA-N 1 0 246.358 1.765 10 0 BDAERO CCCc1nccnc1N[C@@H](C)[C@H](C)[NH3+] ZINC000663275266 412405634 /nfs/dbraw/zinc/40/56/34/412405634.db2.gz UJLKRFQVCATLCA-IUCAKERBSA-N 1 0 208.309 1.577 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1cc(C(C)C)ncn1 ZINC000663278212 412407435 /nfs/dbraw/zinc/40/74/35/412407435.db2.gz DNEAMTROUCSILX-SECBINFHSA-N 1 0 208.309 1.620 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ccncc1Br ZINC000663279678 412408290 /nfs/dbraw/zinc/40/82/90/412408290.db2.gz UQKVWIYFMVXBPR-ZETCQYMHSA-N 1 0 244.136 1.286 10 0 BDAERO CCc1ccc(CNC(=O)C(C)(C)[NH3+])cc1 ZINC000083350589 171802424 /nfs/dbraw/zinc/80/24/24/171802424.db2.gz WVABIHCUASPBAX-UHFFFAOYSA-N 1 0 220.316 1.603 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ncc(Cl)cc1F ZINC000663281042 412409082 /nfs/dbraw/zinc/40/90/82/412409082.db2.gz NSZHUNBTBLWDMG-ZCFIWIBFSA-N 1 0 217.675 1.894 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nccc(C(F)(F)F)n1 ZINC000663281120 412409151 /nfs/dbraw/zinc/40/91/51/412409151.db2.gz QMBLZWRIQWXZMY-ZCFIWIBFSA-N 1 0 234.225 1.515 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ccccc1S(C)(=O)=O ZINC000663281051 412409419 /nfs/dbraw/zinc/40/94/19/412409419.db2.gz NZPZHMQPEAQXHT-VIFPVBQESA-N 1 0 242.344 1.110 10 0 BDAERO CCc1ccc(C[NH2+]CCc2nncn2C)cc1 ZINC000104069104 171806410 /nfs/dbraw/zinc/80/64/10/171806410.db2.gz ZDKVIQPLCFHSIW-UHFFFAOYSA-N 1 0 244.342 1.710 10 0 BDAERO CCc1ccc(COC(=O)CC[NH3+])cc1 ZINC000049813838 171813715 /nfs/dbraw/zinc/81/37/15/171813715.db2.gz BWJOPINKKCVEMX-UHFFFAOYSA-N 1 0 207.273 1.641 10 0 BDAERO CCc1ccc(C[C@](C)(O)C[NH2+]C)cc1 ZINC000019684500 171815050 /nfs/dbraw/zinc/81/50/50/171815050.db2.gz GPJODFJPRQATKT-ZDUSSCGKSA-N 1 0 207.317 1.762 10 0 BDAERO CCC1(CNC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000225810964 487623761 /nfs/dbraw/zinc/62/37/61/487623761.db2.gz QIXNZKALWJNKDF-JTQLQIEISA-N 1 0 212.337 1.666 10 0 BDAERO CCc1nc([C@@]2(N)CC[N@H+](C)C2)sc1C ZINC000061991805 172004199 /nfs/dbraw/zinc/00/41/99/172004199.db2.gz DIQKULYNLAELSZ-LLVKDONJSA-N 1 0 225.361 1.503 10 0 BDAERO CCc1nc([C@@]2([NH2+]C)CCN(C)C2)sc1C ZINC000061991821 172005032 /nfs/dbraw/zinc/00/50/32/172005032.db2.gz VQRYBWUGPLHHER-GFCCVEGCSA-N 1 0 239.388 1.764 10 0 BDAERO CCc1nnc([C@H]([NH3+])C2CCCCC2)[nH]1 ZINC000048630858 172007533 /nfs/dbraw/zinc/00/75/33/172007533.db2.gz BDQHGNJRWRPFES-SNVBAGLBSA-N 1 0 208.309 1.947 10 0 BDAERO CCc1nccn1Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071268086 172027766 /nfs/dbraw/zinc/02/77/66/172027766.db2.gz WRWJCYMQQWLYFV-UHFFFAOYSA-N 1 0 246.289 1.917 10 0 BDAERO CCc1ncnc(NCC2CC[NH2+]CC2)c1C ZINC000045954782 172032378 /nfs/dbraw/zinc/03/23/78/172032378.db2.gz PEJKAQLDPIEJNZ-UHFFFAOYSA-N 1 0 234.347 1.759 10 0 BDAERO CCc1noc(-c2c[nH]c(C3([NH3+])CCC3)n2)n1 ZINC000037605829 172071737 /nfs/dbraw/zinc/07/17/37/172071737.db2.gz SKAWDNDWUQQNQI-UHFFFAOYSA-N 1 0 233.275 1.360 10 0 BDAERO CCc1noc(COC2CCC([NH3+])CC2)n1 ZINC000055142822 172085537 /nfs/dbraw/zinc/08/55/37/172085537.db2.gz GMTAAFNPVZYJGV-UHFFFAOYSA-N 1 0 225.292 1.419 10 0 BDAERO CCc1nocc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000339255357 172099153 /nfs/dbraw/zinc/09/91/53/172099153.db2.gz ZTTNRZQKNMBDLK-LLVKDONJSA-N 1 0 226.320 1.734 10 0 BDAERO CCn1c(C)cc(C(=O)CN2CC[NH2+]CC2)c1C ZINC000050145318 172135078 /nfs/dbraw/zinc/13/50/78/172135078.db2.gz TWGSSMSSTHIRAU-UHFFFAOYSA-N 1 0 249.358 1.213 10 0 BDAERO CCn1c(C)nnc1SCCC[NH3+] ZINC000058825671 172142545 /nfs/dbraw/zinc/14/25/45/172142545.db2.gz DKZLYTRQZYOQJU-UHFFFAOYSA-N 1 0 200.311 1.047 10 0 BDAERO CCn1c(CNCCC[NH3+])nc2ccccc21 ZINC000038046867 172144630 /nfs/dbraw/zinc/14/46/30/172144630.db2.gz LVVKAMPWYIUVRQ-UHFFFAOYSA-N 1 0 232.331 1.495 10 0 BDAERO CCn1c(C[NH2+]C)nc2ccc(F)cc21 ZINC000052124720 172145007 /nfs/dbraw/zinc/14/50/07/172145007.db2.gz ZBKQVBPGMBWAMC-UHFFFAOYSA-N 1 0 207.252 1.915 10 0 BDAERO CCn1cc(C2CC[NH+](CCO)CC2)cn1 ZINC000177698043 172157998 /nfs/dbraw/zinc/15/79/98/172157998.db2.gz OKWDGLOGYFNEAQ-UHFFFAOYSA-N 1 0 223.320 1.075 10 0 BDAERO CCn1cc(C[C@H]([NH3+])c2cccnc2)cn1 ZINC000050542435 172176647 /nfs/dbraw/zinc/17/66/47/172176647.db2.gz AATVIZOMDDVJML-LBPRGKRZSA-N 1 0 216.288 1.541 10 0 BDAERO CCn1cc(CO[C@H]2CCC[NH2+]C2)cn1 ZINC000051787449 172176791 /nfs/dbraw/zinc/17/67/91/172176791.db2.gz ALNKCXKSKSWCBU-NSHDSACASA-N 1 0 209.293 1.172 10 0 BDAERO CCn1cc(C[C@@H]([NH3+])c2ccccn2)cn1 ZINC000050542432 172177375 /nfs/dbraw/zinc/17/73/75/172177375.db2.gz OXPZLICYNFIMFH-LLVKDONJSA-N 1 0 216.288 1.541 10 0 BDAERO CCn1cc(NC(=O)c2ccc(C[NH3+])cc2)cn1 ZINC000035779668 172184346 /nfs/dbraw/zinc/18/43/46/172184346.db2.gz JSSNOYYUAHODFD-UHFFFAOYSA-N 1 0 244.298 1.614 10 0 BDAERO CCn1cccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000227561165 172208081 /nfs/dbraw/zinc/20/80/81/172208081.db2.gz AFHIZOVTHHCKEA-AAEUAGOBSA-N 1 0 222.332 1.759 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@H](O)C(C)C ZINC000229974038 172208046 /nfs/dbraw/zinc/20/80/46/172208046.db2.gz MZNXGRADMQGQNU-GFCCVEGCSA-N 1 0 210.321 1.615 10 0 BDAERO CCn1cccc1C[NH2+][C@H](C)[C@H](C)CO ZINC000228708258 172209707 /nfs/dbraw/zinc/20/97/07/172209707.db2.gz IAKNVUMCXUMCRL-GHMZBOCLSA-N 1 0 210.321 1.615 10 0 BDAERO CCn1ccnc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113267110 172221961 /nfs/dbraw/zinc/22/19/61/172221961.db2.gz MYKYBCDUAIIRGF-QWHCGFSZSA-N 1 0 248.374 1.572 10 0 BDAERO CCn1ccnc1N1CCCC[C@@H]1C[NH3+] ZINC000050614397 172225454 /nfs/dbraw/zinc/22/54/54/172225454.db2.gz RYESGDBRBDWXIM-SNVBAGLBSA-N 1 0 208.309 1.221 10 0 BDAERO CCn1ccnc1N1CCCC[C@@H]1[C@@H](C)[NH2+]C ZINC000104413354 172226466 /nfs/dbraw/zinc/22/64/66/172226466.db2.gz GCQCFAKTHHUCPB-VXGBXAGGSA-N 1 0 236.363 1.870 10 0 BDAERO CCn1cnnc1-c1ccc(C[NH3+])cc1 ZINC000054497677 172234059 /nfs/dbraw/zinc/23/40/59/172234059.db2.gz RDPVJDKKDUSNQV-UHFFFAOYSA-N 1 0 202.261 1.424 10 0 BDAERO CN(C(=O)/C=C/c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000104349697 172294021 /nfs/dbraw/zinc/29/40/21/172294021.db2.gz FVBUXTVYLNGDHC-ATWMFIQVSA-N 1 0 244.338 1.910 10 0 BDAERO CN(C(=O)CC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000037870713 172301806 /nfs/dbraw/zinc/30/18/06/172301806.db2.gz ISXBPEPNCDRIAU-GFCCVEGCSA-N 1 0 224.348 1.777 10 0 BDAERO CN(C(=O)C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000020262088 172308743 /nfs/dbraw/zinc/30/87/43/172308743.db2.gz JPGWPQBARXWMBX-UHFFFAOYSA-N 1 0 233.098 1.915 10 0 BDAERO CN(C(=O)C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000049304563 172309471 /nfs/dbraw/zinc/30/94/71/172309471.db2.gz DKBVVWALZVYINT-UHFFFAOYSA-N 1 0 236.290 1.536 10 0 BDAERO CN(C(=O)[C@@H]([NH3+])C(C)(C)C)c1ccccn1 ZINC000040458895 172325458 /nfs/dbraw/zinc/32/54/58/172325458.db2.gz BREFECNGOGWAGZ-SNVBAGLBSA-N 1 0 221.304 1.418 10 0 BDAERO CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC000055086989 172327521 /nfs/dbraw/zinc/32/75/21/172327521.db2.gz FIFKJBPILHRAOO-VXGBXAGGSA-N 1 0 224.348 1.905 10 0 BDAERO CN(C(=O)[C@H]([NH3+])C(C)(C)C)c1ccccn1 ZINC000077488130 172331944 /nfs/dbraw/zinc/33/19/44/172331944.db2.gz BREFECNGOGWAGZ-JTQLQIEISA-N 1 0 221.304 1.418 10 0 BDAERO CN(C(=O)c1cc[nH]n1)c1cccc(C[NH3+])c1 ZINC000062775181 172338656 /nfs/dbraw/zinc/33/86/56/172338656.db2.gz VSEZQAGYAZRKEQ-UHFFFAOYSA-N 1 0 230.271 1.145 10 0 BDAERO CN(C)C(=O)CCCN(C)c1cccc(C[NH3+])c1 ZINC000061951851 172356922 /nfs/dbraw/zinc/35/69/22/172356922.db2.gz OYPBWZFGDROQTD-UHFFFAOYSA-N 1 0 249.358 1.450 10 0 BDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000122765135 172386340 /nfs/dbraw/zinc/38/63/40/172386340.db2.gz XPPZCHMVNHTTIX-LLVKDONJSA-N 1 0 238.356 1.801 10 0 BDAERO C[NH+](C)CCCNc1ccc2c(c1)OCO2 ZINC000041240480 172444442 /nfs/dbraw/zinc/44/44/42/172444442.db2.gz GGNYEZRUFGGEIS-UHFFFAOYSA-N 1 0 222.288 1.779 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000036321623 172807685 /nfs/dbraw/zinc/80/76/85/172807685.db2.gz PVTOCMCSRITHDT-NSHDSACASA-N 1 0 212.337 1.239 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)c1ncc(Cl)cn1 ZINC000095071074 172809663 /nfs/dbraw/zinc/80/96/63/172809663.db2.gz KXNYHHLPCUJWBE-SECBINFHSA-N 1 0 240.738 1.566 10 0 BDAERO CN(C[C@@H]1CCCO1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291292 172811141 /nfs/dbraw/zinc/81/11/41/172811141.db2.gz YLKRQAWVLCPOBL-NEPJUHHUSA-N 1 0 240.347 1.014 10 0 BDAERO CN(Cc1cccnc1)C[C@H]1CCCC[NH2+]1 ZINC000036771402 172883952 /nfs/dbraw/zinc/88/39/52/172883952.db2.gz WLWUFYXCMLOSRJ-CYBMUJFWSA-N 1 0 219.332 1.656 10 0 BDAERO CN(c1cc(N)cc[nH+]1)[C@@H]1CCSC1 ZINC000043568868 172945312 /nfs/dbraw/zinc/94/53/12/172945312.db2.gz CKKXMPRMJCISKO-SECBINFHSA-N 1 0 209.318 1.606 10 0 BDAERO C[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=O)N2 ZINC000085345596 173002878 /nfs/dbraw/zinc/00/28/78/173002878.db2.gz OSSNNJYPUJTVGU-UHFFFAOYSA-N 1 0 243.310 1.027 10 0 BDAERO Cn1cc(NC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000054240688 173004792 /nfs/dbraw/zinc/00/47/92/173004792.db2.gz JGAYPPZJWPMBKN-LLVKDONJSA-N 1 0 208.309 1.316 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ncccc2N)C1 ZINC000041043365 173023423 /nfs/dbraw/zinc/02/34/23/173023423.db2.gz QTALNRNDOLPWNK-SECBINFHSA-N 1 0 206.293 1.170 10 0 BDAERO C[N@@H+]1CCC[C@@]12CCN(c1cccnn1)C2 ZINC000090505025 173039992 /nfs/dbraw/zinc/03/99/92/173039992.db2.gz FAKUAZZHTJYIHU-LBPRGKRZSA-N 1 0 218.304 1.151 10 0 BDAERO C[N@@H+]1CCC[C@H](CNC2N=NC(=S)S2)C1 ZINC000044538097 173043035 /nfs/dbraw/zinc/04/30/35/173043035.db2.gz XAVCXHHPRVBEQE-SSDOTTSWSA-N 1 0 244.389 1.581 10 0 BDAERO CN(c1ccccc1N)[C@H]1CCC[N@H+](C)C1 ZINC000053205866 173044236 /nfs/dbraw/zinc/04/42/36/173044236.db2.gz PBCNXMOIRJPTKN-NSHDSACASA-N 1 0 219.332 1.799 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ccc(N)cn2)C1 ZINC000040715820 173045606 /nfs/dbraw/zinc/04/56/06/173045606.db2.gz WQARKUJKQDUSLI-JTQLQIEISA-N 1 0 206.293 1.170 10 0 BDAERO C[N@@H+]1CCC[C@H](c2ccccc2CO)C1 ZINC000075906583 173047612 /nfs/dbraw/zinc/04/76/12/173047612.db2.gz JBRRIMDKASIAEI-NSHDSACASA-N 1 0 205.301 1.988 10 0 BDAERO C[NH+]1CCN(CC[C@@H](O)c2cccs2)CC1 ZINC000041149389 173082701 /nfs/dbraw/zinc/08/27/01/173082701.db2.gz COAKBDUCYHQISG-LLVKDONJSA-N 1 0 240.372 1.419 10 0 BDAERO C[NH+]1CCN(c2ccc3c(c2)NCC3)CC1 ZINC000032013209 173095562 /nfs/dbraw/zinc/09/55/62/173095562.db2.gz ZGYUHIKLCDUIDU-UHFFFAOYSA-N 1 0 217.316 1.406 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1cccnc1Cl ZINC000083346819 173096690 /nfs/dbraw/zinc/09/66/90/173096690.db2.gz BVJPTMMARNWSAF-SECBINFHSA-N 1 0 211.696 1.311 10 0 BDAERO C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(F)c(N)c2)C1 ZINC000063202402 173110072 /nfs/dbraw/zinc/11/00/72/173110072.db2.gz DTNPMWVIBMXSTP-MRVPVSSYSA-N 1 0 237.278 1.298 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1 ZINC000112826876 173111323 /nfs/dbraw/zinc/11/13/23/173111323.db2.gz XIGDTNVGEDNZTN-GFCCVEGCSA-N 1 0 232.327 1.710 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccs1 ZINC000112826881 173113111 /nfs/dbraw/zinc/11/31/11/173113111.db2.gz OXPWXWDUMIZGIQ-SNVBAGLBSA-N 1 0 238.356 1.772 10 0 BDAERO CN1CC[C@@H](C[NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000083072180 173113506 /nfs/dbraw/zinc/11/35/06/173113506.db2.gz IIMAWJNZLCFZBN-GXFFZTMASA-N 1 0 230.315 1.286 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccccc2CO)C1 ZINC000061988541 173125810 /nfs/dbraw/zinc/12/58/10/173125810.db2.gz FYZPTCJKWXCMHQ-LLVKDONJSA-N 1 0 206.289 1.295 10 0 BDAERO C[N@@H+]1CC[C@@H](OC(=O)c2ccc(N)cc2)C1 ZINC000039110216 173128262 /nfs/dbraw/zinc/12/82/62/173128262.db2.gz BRJWTEUQVHVISE-LLVKDONJSA-N 1 0 220.272 1.130 10 0 BDAERO CN(Cc1ccc(CO)o1)C[C@H]1CC[N@H+](C)C1 ZINC000120991219 173143010 /nfs/dbraw/zinc/14/30/10/173143010.db2.gz YXPURGVNFWPXKP-NSHDSACASA-N 1 0 238.331 1.155 10 0 BDAERO C[N@H+](C[C@H]1CC[NH+](C)C1)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000071192692 173143037 /nfs/dbraw/zinc/14/30/37/173143037.db2.gz VXNGNBIMMGPEOL-SDDRHHMPSA-N 1 0 240.347 1.123 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccccc1 ZINC000112826874 173143265 /nfs/dbraw/zinc/14/32/65/173143265.db2.gz XIGDTNVGEDNZTN-LBPRGKRZSA-N 1 0 232.327 1.710 10 0 BDAERO CN1CC[C@H]([NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000238855708 173149145 /nfs/dbraw/zinc/14/91/45/173149145.db2.gz SSVHXBQGSQFNJU-WDEREUQCSA-N 1 0 212.243 1.669 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc3cc(N)ccc3n2)C1 ZINC000042545032 173154566 /nfs/dbraw/zinc/15/45/66/173154566.db2.gz WICZKPBPSYXSRX-LBPRGKRZSA-N 1 0 242.326 1.933 10 0 BDAERO C[N@@H+]1CC[C@](CO)(Nc2ccc(Cl)cc2)C1 ZINC000061992171 173162585 /nfs/dbraw/zinc/16/25/85/173162585.db2.gz HSHLTOCNKSHCCI-LBPRGKRZSA-N 1 0 240.734 1.819 10 0 BDAERO C[NH+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000098177685 173189193 /nfs/dbraw/zinc/18/91/93/173189193.db2.gz CJHLFQNJNLWXOM-NXEZZACHSA-N 1 0 226.320 1.415 10 0 BDAERO CNC(=[NH2+])N(C)Cc1ccc(OC)cc1 ZINC000052018779 173210194 /nfs/dbraw/zinc/21/01/94/173210194.db2.gz BKXMGFXIENJKPD-UHFFFAOYSA-N 1 0 207.277 1.281 10 0 BDAERO CNC(=O)CC[N@H+](C)C1(CN)CCCCCC1 ZINC000051757825 173247323 /nfs/dbraw/zinc/24/73/23/173247323.db2.gz KOHJVZAFLAIVEK-UHFFFAOYSA-N 1 0 241.379 1.106 10 0 BDAERO CNC(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000041708889 173292970 /nfs/dbraw/zinc/29/29/70/173292970.db2.gz ZVLUNHKRFUXLIT-QMMMGPOBSA-N 1 0 207.277 1.718 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000042560331 173295251 /nfs/dbraw/zinc/29/52/51/173295251.db2.gz KWRWUOBTXOARBC-VHSXEESVSA-N 1 0 236.315 1.480 10 0 BDAERO CNC(=O)[C@@H](C)n1c(N)[nH+]c2cc(C)ccc21 ZINC000042572362 173296054 /nfs/dbraw/zinc/29/60/54/173296054.db2.gz YGBKAKILSQLLIF-MRVPVSSYSA-N 1 0 232.287 1.234 10 0 BDAERO CNC(=O)[C@@H](CCC[NH3+])c1ccccc1OC ZINC000076619107 173296379 /nfs/dbraw/zinc/29/63/79/173296379.db2.gz ZGUYVQBBAPFQQF-NSHDSACASA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718574 173302640 /nfs/dbraw/zinc/30/26/40/173302640.db2.gz CFZGZNOOIDGZGL-QMMMGPOBSA-N 1 0 242.269 1.231 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000130519674 173303089 /nfs/dbraw/zinc/30/30/89/173303089.db2.gz KSFBTGFPTWLUKD-UWVGGRQHSA-N 1 0 236.315 1.047 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000042560529 173303142 /nfs/dbraw/zinc/30/31/42/173303142.db2.gz WRRAGRPENPERGM-IUCAKERBSA-N 1 0 222.288 1.177 10 0 BDAERO CNC(=O)c1cc(C[NH3+])cc(OC2CC2)c1 ZINC000095737939 173309535 /nfs/dbraw/zinc/30/95/35/173309535.db2.gz YPXVNHFIHIIAAP-UHFFFAOYSA-N 1 0 220.272 1.046 10 0 BDAERO CNC(=O)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000037864116 173310338 /nfs/dbraw/zinc/31/03/38/173310338.db2.gz PIVBMSFPKNOOEO-UHFFFAOYSA-N 1 0 220.316 1.934 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccccc1C ZINC000061300497 173317648 /nfs/dbraw/zinc/31/76/48/173317648.db2.gz MNEORGLDANRGKR-UHFFFAOYSA-N 1 0 234.343 1.951 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)c1ccccc1C ZINC000061319135 173317884 /nfs/dbraw/zinc/31/78/84/173317884.db2.gz QIOBHAIDQYYFSH-UHFFFAOYSA-N 1 0 220.316 1.956 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1cccnc1 ZINC000061300441 173318400 /nfs/dbraw/zinc/31/84/00/173318400.db2.gz JEEUBPQUBLGQQD-SECBINFHSA-N 1 0 221.304 1.257 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(F)c(F)c1 ZINC000061318917 173318422 /nfs/dbraw/zinc/31/84/22/173318422.db2.gz VHOGIMCPFZEOPE-UHFFFAOYSA-N 1 0 242.269 1.579 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000061319235 173318469 /nfs/dbraw/zinc/31/84/69/173318469.db2.gz VVESMFAZTJTWOT-NXEZZACHSA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000061318964 173318568 /nfs/dbraw/zinc/31/85/68/173318568.db2.gz PVWGGCBUISKCAI-QWRGUYRKSA-N 1 0 226.364 1.927 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cnn(C(C)C)c1 ZINC000061683470 173319373 /nfs/dbraw/zinc/31/93/73/173319373.db2.gz CGCRGTZZARONFN-UHFFFAOYSA-N 1 0 224.308 1.401 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1nc(C2CC2)cs1 ZINC000061318876 173319539 /nfs/dbraw/zinc/31/95/39/173319539.db2.gz RSTTXKNAHIHHGW-UHFFFAOYSA-N 1 0 239.344 1.957 10 0 BDAERO C[NH2+]C(C)(C)c1nc2c(cccc2C(N)=O)[nH]1 ZINC000040936067 173321250 /nfs/dbraw/zinc/32/12/50/173321250.db2.gz BLFXWOOHLAQKGB-UHFFFAOYSA-N 1 0 232.287 1.116 10 0 BDAERO C[NH2+]C1(COc2ccc(Cl)nc2)CC1 ZINC000029126864 173321346 /nfs/dbraw/zinc/32/13/46/173321346.db2.gz JWLQFBOPLOBNEV-UHFFFAOYSA-N 1 0 212.680 1.866 10 0 in-vitro BDAERO CNC1=[NH+]CCN1OCc1ccccc1 ZINC000013539016 173321770 /nfs/dbraw/zinc/32/17/70/173321770.db2.gz NJADOQCPTPCTLF-UHFFFAOYSA-N 1 0 205.261 1.009 10 0 BDAERO C[NH2+]C1CCC(NC(=O)CC2CC2)CC1 ZINC000049728916 173321875 /nfs/dbraw/zinc/32/18/75/173321875.db2.gz ICZTUWJJLAVYQW-UHFFFAOYSA-N 1 0 210.321 1.433 10 0 BDAERO C[NH2+]CC(=O)NCc1ccc(CC(C)C)cc1 ZINC000107289967 173330466 /nfs/dbraw/zinc/33/04/66/173330466.db2.gz MTHXDWLTAVONFR-UHFFFAOYSA-N 1 0 234.343 1.721 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000041635283 173333042 /nfs/dbraw/zinc/33/30/42/173333042.db2.gz RUUFVGBBWKVJNY-CQSZACIVSA-N 1 0 244.294 1.705 10 0 BDAERO C[NH2+]CC(=O)c1c(OC)cc(OC)cc1OC ZINC000033855063 173334585 /nfs/dbraw/zinc/33/45/85/173334585.db2.gz LMXCKHRYLPBNBI-UHFFFAOYSA-N 1 0 239.271 1.115 10 0 BDAERO C[NH2+]CC(=O)c1cc(Br)ccc1F ZINC000083256255 173335540 /nfs/dbraw/zinc/33/55/40/173335540.db2.gz DQLMCTHKMDVUQD-UHFFFAOYSA-N 1 0 246.079 1.990 10 0 BDAERO C[NH2+]CC(=O)Nc1cccc(SC)c1C ZINC000261546067 173335628 /nfs/dbraw/zinc/33/56/28/173335628.db2.gz KRAXONDJSQDYFZ-UHFFFAOYSA-N 1 0 224.329 1.875 10 0 BDAERO C[NH2+]CC(=O)c1cc(Cl)ccc1OC ZINC000041227232 173336934 /nfs/dbraw/zinc/33/69/34/173336934.db2.gz FKRHHXWRRRXARK-UHFFFAOYSA-N 1 0 213.664 1.751 10 0 BDAERO C[NH2+]CC1(Cc2cscn2)CCOCC1 ZINC000061674090 173338128 /nfs/dbraw/zinc/33/81/28/173338128.db2.gz ZFIWUEDIJZCHTJ-UHFFFAOYSA-N 1 0 226.345 1.702 10 0 BDAERO C[NH2+]CCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000043600171 173339404 /nfs/dbraw/zinc/33/94/04/173339404.db2.gz PITSCGWVUHVGJD-NWDGAFQWSA-N 1 0 224.348 1.777 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc2c(c1)ncn2C ZINC000077417149 173341989 /nfs/dbraw/zinc/34/19/89/173341989.db2.gz KNNFCWQCGFMDAE-UHFFFAOYSA-N 1 0 247.298 1.226 10 0 BDAERO C[NH2+]CCC(=O)c1ccc(OC)c(C)c1OC ZINC000071547849 173342202 /nfs/dbraw/zinc/34/22/02/173342202.db2.gz RHEAISSCEZKYBF-UHFFFAOYSA-N 1 0 237.299 1.804 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc2nc(C)oc2c1 ZINC000077421096 173342279 /nfs/dbraw/zinc/34/22/79/173342279.db2.gz SYTOBDSGEBPLFU-UHFFFAOYSA-N 1 0 248.282 1.789 10 0 BDAERO C[NH2+]CCCC(=O)N(C)Cc1ccc(O)cc1 ZINC000037823236 173342578 /nfs/dbraw/zinc/34/25/78/173342578.db2.gz IFLWQILTPXNAMD-UHFFFAOYSA-N 1 0 236.315 1.350 10 0 BDAERO C[NH2+]CCCOc1cc(F)cc(F)c1 ZINC000054933443 173349742 /nfs/dbraw/zinc/34/97/42/173349742.db2.gz YVOIQUCGFULXJH-UHFFFAOYSA-N 1 0 201.216 1.953 10 0 BDAERO C[NH2+]CCCOCc1ccc2[nH]cnc2c1 ZINC000077328712 173350037 /nfs/dbraw/zinc/35/00/37/173350037.db2.gz BWDWKPZYNQODCM-UHFFFAOYSA-N 1 0 219.288 1.689 10 0 BDAERO C[NH2+]CCCc1cc(NC(C)=O)ccc1OC ZINC000098126150 173350424 /nfs/dbraw/zinc/35/04/24/173350424.db2.gz MIEWMTYDAPVTDH-UHFFFAOYSA-N 1 0 236.315 1.806 10 0 BDAERO C[NH2+]CCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000120284354 173352128 /nfs/dbraw/zinc/35/21/28/173352128.db2.gz JWQIBTFQUBTBLF-KBPBESRZSA-N 1 0 246.354 1.776 10 0 BDAERO C[NH2+]CCN(C)CCc1c[nH]c2ccccc12 ZINC000077361876 173352939 /nfs/dbraw/zinc/35/29/39/173352939.db2.gz OYGALOJLUWIPBP-UHFFFAOYSA-N 1 0 231.343 1.862 10 0 BDAERO C[NH2+]CCN(C)Cc1ccc(OC)c(C)c1C ZINC000077373188 173353837 /nfs/dbraw/zinc/35/38/37/173353837.db2.gz VMRHYGLAQYAJCJ-UHFFFAOYSA-N 1 0 236.359 1.963 10 0 BDAERO C[NH2+]CCNCCc1c[nH]c2ccccc12 ZINC000077325262 173356068 /nfs/dbraw/zinc/35/60/68/173356068.db2.gz LAYUZRRQNXHIFM-UHFFFAOYSA-N 1 0 217.316 1.519 10 0 BDAERO C[NH2+]CCOCc1ccc(C(=O)OC)cc1 ZINC000074525619 173356662 /nfs/dbraw/zinc/35/66/62/173356662.db2.gz SOFNSZXRHWWGHR-UHFFFAOYSA-N 1 0 223.272 1.209 10 0 BDAERO C[NH2+]CC[C@H](C)N1CCOC(C)(C)C1 ZINC000052481799 173358555 /nfs/dbraw/zinc/35/85/55/173358555.db2.gz BWAGYKSMCPTGPP-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO C[NH2+]CCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000019752731 173361182 /nfs/dbraw/zinc/36/11/82/173361182.db2.gz AUSSXDYAPXOIMK-UHFFFAOYSA-N 1 0 233.271 1.096 10 0 BDAERO C[NH2+]CCc1noc(-c2cccc(F)c2)n1 ZINC000051850780 173361794 /nfs/dbraw/zinc/36/17/94/173361794.db2.gz UIPRXFHSZOELKB-UHFFFAOYSA-N 1 0 221.235 1.638 10 0 BDAERO C[NH2+]CCc1noc(-c2ccsc2)n1 ZINC000051850788 173362020 /nfs/dbraw/zinc/36/20/20/173362020.db2.gz FCRBLMRNZLIOPM-UHFFFAOYSA-N 1 0 209.274 1.560 10 0 BDAERO C[NH2+]C[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000052574697 173365186 /nfs/dbraw/zinc/36/51/86/173365186.db2.gz GZXHYRHFYYWLME-SECBINFHSA-N 1 0 217.276 1.121 10 0 BDAERO C[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000019864656 173365445 /nfs/dbraw/zinc/36/54/45/173365445.db2.gz MUEZUOPTGKBMCM-LLVKDONJSA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+]C[C@@H](O)COc1c(C)cc(C)cc1C ZINC000032014570 173365553 /nfs/dbraw/zinc/36/55/53/173365553.db2.gz IWDIORLVKICKGL-GFCCVEGCSA-N 1 0 223.316 1.571 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(Br)ccc1F ZINC000055027256 173365903 /nfs/dbraw/zinc/36/59/03/173365903.db2.gz UASCJMDUEKQHKR-SECBINFHSA-N 1 0 248.095 1.841 10 0 BDAERO C[NH2+]C[C@@H](Sc1nncn1C)c1ccccc1 ZINC000053609730 173367069 /nfs/dbraw/zinc/36/70/69/173367069.db2.gz WOABXXHFXPXHPS-LLVKDONJSA-N 1 0 248.355 1.868 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1C[C@@H]1CCCO1 ZINC000042407790 173367160 /nfs/dbraw/zinc/36/71/60/173367160.db2.gz KTKSQRFEJTYOQG-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(C(=O)C2[C@@H]3CCC[C@H]23)C1 ZINC000125832425 173367511 /nfs/dbraw/zinc/36/75/11/173367511.db2.gz DMJNVBQKEHWJBF-ACJTYDJDSA-N 1 0 236.359 1.491 10 0 BDAERO C[NH2+]C[C@@H]1CC[C@H](COc2ccccc2F)O1 ZINC000052663886 173371708 /nfs/dbraw/zinc/37/17/08/173371708.db2.gz MMSBOQBAYXRZBM-WDEREUQCSA-N 1 0 239.290 1.972 10 0 BDAERO C[NH2+]C[C@@]1(Cc2ccsc2)CCOC1 ZINC000054663876 173373208 /nfs/dbraw/zinc/37/32/08/173373208.db2.gz KPZQSXMZVJAJPJ-NSHDSACASA-N 1 0 211.330 1.917 10 0 BDAERO C[NH2+]C[C@H](C(C)C)N(C)CCc1ccccn1 ZINC000052423717 173373498 /nfs/dbraw/zinc/37/34/98/173373498.db2.gz MRORNEXWUQPZTH-CQSZACIVSA-N 1 0 235.375 1.800 10 0 BDAERO C[NH2+]C[C@H](O)CN(C)c1cc(C)ccc1OC ZINC000077384010 173376038 /nfs/dbraw/zinc/37/60/38/173376038.db2.gz NAWOMXMPBMIPCV-NSHDSACASA-N 1 0 238.331 1.020 10 0 BDAERO C[NH2+]C[C@H](O)CSc1ccc(C)c(C)c1 ZINC000019686885 173376618 /nfs/dbraw/zinc/37/66/18/173376618.db2.gz YDMPCTYFTUVRNS-NSHDSACASA-N 1 0 225.357 1.976 10 0 BDAERO C[NH2+]C[C@H](O)c1cc2cc(F)ccc2o1 ZINC000082947604 173376712 /nfs/dbraw/zinc/37/67/12/173376712.db2.gz UJYTYVSUHPKXAG-VIFPVBQESA-N 1 0 209.220 1.825 10 0 BDAERO C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000037871877 173377523 /nfs/dbraw/zinc/37/75/23/173377523.db2.gz DRVGRWMTVCTEFG-VIFPVBQESA-N 1 0 219.206 1.958 10 0 BDAERO C[NH2+]C[C@H](OCCOC)c1ccccc1OC ZINC000050496030 173377773 /nfs/dbraw/zinc/37/77/73/173377773.db2.gz SXIQZGRUFOEZSS-ZDUSSCGKSA-N 1 0 239.315 1.619 10 0 BDAERO C[NH2+]C[C@H](c1cccc(OC)c1OC)N(C)C ZINC000019862156 173377784 /nfs/dbraw/zinc/37/77/84/173377784.db2.gz SHNJFINXJYQPFU-LLVKDONJSA-N 1 0 238.331 1.526 10 0 BDAERO C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000034234844 173378279 /nfs/dbraw/zinc/37/82/79/173378279.db2.gz RSZLVCBGCBWCLX-GFCCVEGCSA-N 1 0 218.300 1.255 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1ccc(C)cn1 ZINC000053703662 173380866 /nfs/dbraw/zinc/38/08/66/173380866.db2.gz UMOZKICXQXUHDR-LLVKDONJSA-N 1 0 205.305 1.578 10 0 BDAERO C[NH2+]C[C@](C)(O)c1cc(C)c(OC)cc1C ZINC000036161350 173383519 /nfs/dbraw/zinc/38/35/19/173383519.db2.gz IQGJBEHMCBCKBO-ZDUSSCGKSA-N 1 0 223.316 1.739 10 0 BDAERO C[NH2+]Cc1c(-n2ccnc2C)nc2sccn12 ZINC000035430404 173384176 /nfs/dbraw/zinc/38/41/76/173384176.db2.gz HNKCOTUZMDSZAT-UHFFFAOYSA-N 1 0 247.327 1.609 10 0 BDAERO C[NH2+]C[C@]1(O)CCCc2cc(OC)ccc21 ZINC000055027397 173384185 /nfs/dbraw/zinc/38/41/85/173384185.db2.gz LCWHCCHCEJUTIG-CYBMUJFWSA-N 1 0 221.300 1.439 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N(C)[C@@H](C)C1CC1 ZINC000036786092 173384342 /nfs/dbraw/zinc/38/43/42/173384342.db2.gz DGGAHIAVSFYENO-JTQLQIEISA-N 1 0 236.363 1.683 10 0 BDAERO C[NH2+]Cc1c(C)nn(C[C@@H]2CCOC2)c1C ZINC000054717388 173384613 /nfs/dbraw/zinc/38/46/13/173384613.db2.gz WGLCFKWRPOECOA-NSHDSACASA-N 1 0 223.320 1.256 10 0 BDAERO C[NH2+]Cc1cc(Br)cnc1OC ZINC000051523736 173385928 /nfs/dbraw/zinc/38/59/28/173385928.db2.gz XTGZEYFEWDFDPT-UHFFFAOYSA-N 1 0 231.093 1.572 10 0 BDAERO C[NH2+]Cc1cc2cccc(C)c2[nH]c1=O ZINC000034797764 173388115 /nfs/dbraw/zinc/38/81/15/173388115.db2.gz OOICETWQNLIXPC-UHFFFAOYSA-N 1 0 202.257 1.556 10 0 BDAERO C[NH2+]Cc1ccc(N2CC[C@H](C)C2)nc1 ZINC000051448448 173389119 /nfs/dbraw/zinc/38/91/19/173389119.db2.gz WOQZVLYLUSKISK-JTQLQIEISA-N 1 0 205.305 1.647 10 0 BDAERO C[NH2+]Cc1cccc(Oc2cccnc2)n1 ZINC000051544324 173389770 /nfs/dbraw/zinc/38/97/70/173389770.db2.gz IJJSNIIBCBJRLQ-UHFFFAOYSA-N 1 0 215.256 1.988 10 0 BDAERO C[NH2+]Cc1cccnc1-n1ccnc1C ZINC000051490899 173390089 /nfs/dbraw/zinc/39/00/89/173390089.db2.gz APZLAXVUISNFPA-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1ccccc1CN1CCO[C@@H](C)C1 ZINC000052382727 173390316 /nfs/dbraw/zinc/39/03/16/173390316.db2.gz NVAUYYPWBNSCJD-LBPRGKRZSA-N 1 0 234.343 1.627 10 0 BDAERO C[NH2+]Cc1ccnc(-n2ccc(C)n2)c1 ZINC000052885131 173391057 /nfs/dbraw/zinc/39/10/57/173391057.db2.gz KZKHUOSWVZUGMC-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1ccnc(Cc2ccc(OC)cc2)n1 ZINC000054791139 173391152 /nfs/dbraw/zinc/39/11/52/173391152.db2.gz MVHKYOHDWPMALU-UHFFFAOYSA-N 1 0 243.310 1.795 10 0 BDAERO C[NH2+]Cc1cn(C)c2ccc(OC)cc12 ZINC000039201129 173391296 /nfs/dbraw/zinc/39/12/96/173391296.db2.gz YXINZBBOJQSIQX-UHFFFAOYSA-N 1 0 204.273 1.906 10 0 BDAERO C[NH2+]Cc1ccnc(COc2ccccc2)n1 ZINC000054791129 173391454 /nfs/dbraw/zinc/39/14/54/173391454.db2.gz PVQFLPUWNBUMAB-UHFFFAOYSA-N 1 0 229.283 1.775 10 0 BDAERO C[NH2+]Cc1cccnc1N(C)[C@H]1CCSC1 ZINC000051441949 173391684 /nfs/dbraw/zinc/39/16/84/173391684.db2.gz RLKKBENBPQASEK-NSHDSACASA-N 1 0 237.372 1.743 10 0 BDAERO C[NH2+]Cc1ccnc(CCc2ccccc2)n1 ZINC000054791147 173391794 /nfs/dbraw/zinc/39/17/94/173391794.db2.gz YUAPQHIHQXFODT-UHFFFAOYSA-N 1 0 227.311 1.981 10 0 BDAERO C[NH2+]Cc1cnc(N2CCOC[C@@H]2C)s1 ZINC000054903514 173392246 /nfs/dbraw/zinc/39/22/46/173392246.db2.gz DNQWRODTCMKKHQ-QMMMGPOBSA-N 1 0 227.333 1.088 10 0 BDAERO C[NH2+]Cc1cnc(-c2cccnc2)nc1 ZINC000054855536 173392369 /nfs/dbraw/zinc/39/23/69/173392369.db2.gz SIMDLFBWGFMOSF-UHFFFAOYSA-N 1 0 200.245 1.258 10 0 BDAERO C[NH2+]Cc1coc(CN2CCCOCC2)c1 ZINC000061936020 173392809 /nfs/dbraw/zinc/39/28/09/173392809.db2.gz PWZKEMNLGZBXNK-UHFFFAOYSA-N 1 0 224.304 1.221 10 0 BDAERO C[NH2+]Cc1coc(Cn2nc(C)cc2C)c1 ZINC000052575871 173393981 /nfs/dbraw/zinc/39/39/81/173393981.db2.gz BJSJONXDNVMXFW-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+]Cc1nc(-n2cccn2)ccc1Cl ZINC000051489101 173394245 /nfs/dbraw/zinc/39/42/45/173394245.db2.gz LFRQUYSHEHLRSW-UHFFFAOYSA-N 1 0 222.679 1.640 10 0 BDAERO C[NH2+]Cc1nc(Cn2cc(Cl)cn2)cs1 ZINC000052577356 173394731 /nfs/dbraw/zinc/39/47/31/173394731.db2.gz OIZPVRWTTOWKHU-UHFFFAOYSA-N 1 0 242.735 1.761 10 0 BDAERO C[NH2+]Cc1nc(-c2ccc(O)c(OC)c2)no1 ZINC000020563551 173395154 /nfs/dbraw/zinc/39/51/54/173395154.db2.gz ASJBISPNFFLRRU-UHFFFAOYSA-N 1 0 235.243 1.170 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H]1CCC[C@@H](C)C1 ZINC000054745228 173398402 /nfs/dbraw/zinc/39/84/02/173398402.db2.gz DECPRZHLHCSMKE-RKDXNWHRSA-N 1 0 209.297 1.144 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H](C)c1cccs1 ZINC000054746178 173398793 /nfs/dbraw/zinc/39/87/93/173398793.db2.gz ZYHODPGWZNZTQB-SSDOTTSWSA-N 1 0 223.305 1.063 10 0 BDAERO C[NH2+]Cc1occc1CN1C[C@@H](C)OC[C@H]1C ZINC000052476448 173399835 /nfs/dbraw/zinc/39/98/35/173399835.db2.gz RSPURWIFYNNBSW-GHMZBOCLSA-N 1 0 238.331 1.608 10 0 BDAERO C[NH2+]Cc1sc(N2CCSCC2)nc1C ZINC000054996155 173401101 /nfs/dbraw/zinc/40/11/01/173401101.db2.gz HPFAVAZLZGGIRM-UHFFFAOYSA-N 1 0 243.401 1.724 10 0 BDAERO C[NH2+][C@@H](C)CCn1c2ccccc2nc(C)c1=O ZINC000052099119 173414918 /nfs/dbraw/zinc/41/49/18/173414918.db2.gz LWTHIDDUAXAODH-JTQLQIEISA-N 1 0 245.326 1.703 10 0 BDAERO C[NH2+][C@@H]1CCS(=O)(=O)c2cc(F)c(F)cc21 ZINC000035762971 173437317 /nfs/dbraw/zinc/43/73/17/173437317.db2.gz PUCYJFYZHINCAE-SECBINFHSA-N 1 0 247.266 1.403 10 0 BDAERO C[NH2+][C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000037242112 173437631 /nfs/dbraw/zinc/43/76/31/173437631.db2.gz MYHJTWRJHXSUCL-SNVBAGLBSA-N 1 0 206.289 1.493 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1Oc1ccccc1 ZINC000044055730 173437832 /nfs/dbraw/zinc/43/78/32/173437832.db2.gz DLVDEFMFCWIBFT-NEPJUHHUSA-N 1 0 207.273 1.442 10 0 BDAERO C[NH2+][C@@](C)(CO)c1ccc(F)c(F)c1 ZINC000038121021 173440714 /nfs/dbraw/zinc/44/07/14/173440714.db2.gz AYHNXFLOBSIROT-JTQLQIEISA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1OCC1CCOCC1 ZINC000052150580 173462996 /nfs/dbraw/zinc/46/29/96/173462996.db2.gz PQMDEVWCQPPGFV-NWDGAFQWSA-N 1 0 213.321 1.570 10 0 BDAERO COC(=O)CC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171504698 173553253 /nfs/dbraw/zinc/55/32/53/173553253.db2.gz DIQCULPCUIDTEY-LLVKDONJSA-N 1 0 237.303 1.120 10 0 BDAERO COC(=O)[C@H](C)C[NH2+][C@]1(CO)CCC[C@H](C)C1 ZINC000053126059 173772168 /nfs/dbraw/zinc/77/21/68/173772168.db2.gz DOGGCTLETXGPCF-DMDPSCGWSA-N 1 0 243.347 1.326 10 0 BDAERO COC(=O)[C@H](C)n1ccc2c1CCC[C@H]2[NH3+] ZINC000041734531 173791631 /nfs/dbraw/zinc/79/16/31/173791631.db2.gz PLLZMWWPLOXHHJ-WCBMZHEXSA-N 1 0 222.288 1.558 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000215984979 173817820 /nfs/dbraw/zinc/81/78/20/173817820.db2.gz REDZZAJVUJPRRR-RYUDHWBXSA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)c1ccc(CC[C@@H](C)[NH3+])s1 ZINC000059392023 173871602 /nfs/dbraw/zinc/87/16/02/173871602.db2.gz YGMNFXAHLMCNTN-SSDOTTSWSA-N 1 0 213.302 1.815 10 0 BDAERO COC(=O)c1ccc(NC[C@H]2CCC[NH2+]2)cc1 ZINC000041262981 173884678 /nfs/dbraw/zinc/88/46/78/173884678.db2.gz QMXZWKVLKZLTBN-GFCCVEGCSA-N 1 0 234.299 1.637 10 0 BDAERO COC(C)(C)CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336759116 173937693 /nfs/dbraw/zinc/93/76/93/173937693.db2.gz IQKYWVJNHYQMDQ-ZJUUUORDSA-N 1 0 228.336 1.058 10 0 BDAERO COC(C)(C)C[C@H](C)[NH2+]CCNC(=O)C(C)C ZINC000020524568 173949133 /nfs/dbraw/zinc/94/91/33/173949133.db2.gz JDKOGZBNBIDNPC-NSHDSACASA-N 1 0 244.379 1.552 10 0 BDAERO COC1CCN(C(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000037266860 174024855 /nfs/dbraw/zinc/02/48/55/174024855.db2.gz LCGFIPWKKLGMRK-LLVKDONJSA-N 1 0 240.347 1.156 10 0 BDAERO COC1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094647223 174026794 /nfs/dbraw/zinc/02/67/94/174026794.db2.gz JFDBPHXPASUHSG-JQWIXIFHSA-N 1 0 240.347 1.012 10 0 BDAERO COC1CCN(C(=O)[C@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000037266864 174026944 /nfs/dbraw/zinc/02/69/44/174026944.db2.gz FNTIBQWEOJSAIJ-CMPLNLGQSA-N 1 0 240.347 1.154 10 0 BDAERO COC1CCN([C@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000037265865 174030391 /nfs/dbraw/zinc/03/03/91/174030391.db2.gz VPXXSFXVYSPSSG-GFCCVEGCSA-N 1 0 238.331 1.699 10 0 BDAERO COC1CCN([C@H](C[NH3+])c2cccnc2)CC1 ZINC000037265816 174030959 /nfs/dbraw/zinc/03/09/59/174030959.db2.gz DFYBUABILLIQRT-CYBMUJFWSA-N 1 0 235.331 1.192 10 0 BDAERO COC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000037491168 174031018 /nfs/dbraw/zinc/03/10/18/174031018.db2.gz TXCHSXWIAQGGME-NWDGAFQWSA-N 1 0 213.321 1.401 10 0 BDAERO COC1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061590028 174031314 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/nfs/dbraw/zinc/19/72/65/174197265.db2.gz PPUYMZVGUKPRQJ-QJPTWQEYSA-N 1 0 242.363 1.293 10 0 BDAERO COCCCN(C)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000062034987 174212603 /nfs/dbraw/zinc/21/26/03/174212603.db2.gz ATOCXHKLZHKAIK-VXGBXAGGSA-N 1 0 242.363 1.246 10 0 BDAERO COCCCN(CCOC)[C@H](C[NH3+])C(C)(C)C ZINC000042420820 174226085 /nfs/dbraw/zinc/22/60/85/174226085.db2.gz RAFCLYRNLRQYDP-GFCCVEGCSA-N 1 0 246.395 1.345 10 0 BDAERO COCCCNC(=O)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000049282783 174239321 /nfs/dbraw/zinc/23/93/21/174239321.db2.gz DKSANYSXOCONKO-RYUDHWBXSA-N 1 0 242.363 1.307 10 0 BDAERO COCCC[NH2+]CCOc1cccc(F)c1F ZINC000062655003 174247663 /nfs/dbraw/zinc/24/76/63/174247663.db2.gz NURHZSJTZBMRQS-UHFFFAOYSA-N 1 0 245.269 1.970 10 0 BDAERO COCCCOc1c(CC[NH3+])cccc1OC ZINC000037754273 174256978 /nfs/dbraw/zinc/25/69/78/174256978.db2.gz ZTQDHSFXZLTACI-UHFFFAOYSA-N 1 0 239.315 1.612 10 0 BDAERO COCCC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309643432 174265020 /nfs/dbraw/zinc/26/50/20/174265020.db2.gz LJICXLZGLMCKJZ-AXFHLTTASA-N 1 0 228.336 1.058 10 0 BDAERO COCCCn1nccc1C[NH2+][C@@H]1C[C@H]1C ZINC000282651285 174267183 /nfs/dbraw/zinc/26/71/83/174267183.db2.gz MAEIYNZVMNWVLM-ZYHUDNBSSA-N 1 0 223.320 1.418 10 0 BDAERO COCCN(C(=O)CCCCCC[NH3+])C1CC1 ZINC000037814624 174268778 /nfs/dbraw/zinc/26/87/78/174268778.db2.gz ATSALFXIVUWRMQ-UHFFFAOYSA-N 1 0 242.363 1.533 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1ccccc1 ZINC000041217883 174283206 /nfs/dbraw/zinc/28/32/06/174283206.db2.gz POGALNJFLLRSJB-GFCCVEGCSA-N 1 0 208.305 1.265 10 0 BDAERO COCCN(C1CC1)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042518164 174285363 /nfs/dbraw/zinc/28/53/63/174285363.db2.gz DXVZPNCYMMKSNT-CABCVRRESA-N 1 0 246.354 1.722 10 0 BDAERO COCCN([C@@H](C[NH3+])Cc1ccccc1)C1CC1 ZINC000042517944 174285517 /nfs/dbraw/zinc/28/55/17/174285517.db2.gz LICPBINOVUBIJZ-OAHLLOKOSA-N 1 0 248.370 1.667 10 0 BDAERO COCCN(c1ccc(N)nc1)[C@H](C)COC ZINC000042602591 174302322 /nfs/dbraw/zinc/30/23/22/174302322.db2.gz KYNORINNTWXNPV-SNVBAGLBSA-N 1 0 239.319 1.152 10 0 BDAERO COCC[N@H+]([C@@H](C)CC(=O)OC)[C@@H](C)C1CC1 ZINC000042680348 174302511 /nfs/dbraw/zinc/30/25/11/174302511.db2.gz IKKCBBYLFWWWCI-QWRGUYRKSA-N 1 0 243.347 1.685 10 0 BDAERO COCC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227361526 174317937 /nfs/dbraw/zinc/31/79/37/174317937.db2.gz XGRMRTGPANJVRV-RYUDHWBXSA-N 1 0 212.337 1.191 10 0 BDAERO COCCNC(=O)[C@H](C)[NH2+]CC1CCCCC1 ZINC000037249447 174326513 /nfs/dbraw/zinc/32/65/13/174326513.db2.gz AVZMMYSWQAUAPZ-NSHDSACASA-N 1 0 242.363 1.307 10 0 BDAERO COCC[NH2+]CCN(C)Cc1ccc(C)cc1 ZINC000042427974 174332055 /nfs/dbraw/zinc/33/20/55/174332055.db2.gz PDEFXRZNWCJXNV-UHFFFAOYSA-N 1 0 236.359 1.663 10 0 BDAERO COCC[NH2+]CCCOc1ccc(OC)cc1 ZINC000041582306 174332426 /nfs/dbraw/zinc/33/24/26/174332426.db2.gz RBYBPDQVPOIYNY-UHFFFAOYSA-N 1 0 239.315 1.700 10 0 BDAERO COCCNCC[NH+](C(C)C)C(C)C ZINC000020039402 174332499 /nfs/dbraw/zinc/33/24/99/174332499.db2.gz METMKPYXWYVANZ-UHFFFAOYSA-N 1 0 202.342 1.341 10 0 BDAERO COCC[NH2+]CCCc1ccc(O)cc1 ZINC000076285321 174332633 /nfs/dbraw/zinc/33/26/33/174332633.db2.gz DIQPMJGSLYYSBR-UHFFFAOYSA-N 1 0 209.289 1.561 10 0 BDAERO COCC[NH2+]CCOc1cccc(C)c1C ZINC000041243100 174333029 /nfs/dbraw/zinc/33/30/29/174333029.db2.gz DUXCDDLVEIYSMV-UHFFFAOYSA-N 1 0 223.316 1.918 10 0 BDAERO COCC[NH2+]Cc1cnc(-c2ccco2)nc1 ZINC000054856771 174335822 /nfs/dbraw/zinc/33/58/22/174335822.db2.gz VHFVZXXOFWAMEY-UHFFFAOYSA-N 1 0 233.271 1.473 10 0 BDAERO COCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128050734 174338087 /nfs/dbraw/zinc/33/80/87/174338087.db2.gz UJORCMRKYFIWNB-NEPJUHHUSA-N 1 0 223.320 1.603 10 0 BDAERO COCCOc1cc(C[NH3+])c2ccccc2n1 ZINC000051526731 174367272 /nfs/dbraw/zinc/36/72/72/174367272.db2.gz NAOVMPCKOVRERK-UHFFFAOYSA-N 1 0 232.283 1.719 10 0 BDAERO COCCOc1ccc(-c2cc(C[NH3+])no2)cc1 ZINC000066113463 174367305 /nfs/dbraw/zinc/36/73/05/174367305.db2.gz CISYEYPWMOZPQZ-UHFFFAOYSA-N 1 0 248.282 1.826 10 0 BDAERO COCCOc1cc(C[C@H](C)[NH3+])ccc1OC ZINC000037728106 174367590 /nfs/dbraw/zinc/36/75/90/174367590.db2.gz UIUZOOFKEUPWBV-JTQLQIEISA-N 1 0 239.315 1.610 10 0 BDAERO COCCOc1ccc(CC2C[NH2+]C2)cc1 ZINC000071523180 174368627 /nfs/dbraw/zinc/36/86/27/174368627.db2.gz UOERQJPTRBYNHS-UHFFFAOYSA-N 1 0 221.300 1.474 10 0 BDAERO COCCOc1ccc([C@H](O)[C@@H](C)[NH3+])cc1 ZINC000071532278 174369700 /nfs/dbraw/zinc/36/97/00/174369700.db2.gz CGZUXVFRSYRCAC-BXKDBHETSA-N 1 0 225.288 1.092 10 0 BDAERO COCCOc1ccc([C@H](O)[C@H](C)[NH3+])cc1 ZINC000071532277 174370004 /nfs/dbraw/zinc/37/00/04/174370004.db2.gz CGZUXVFRSYRCAC-JOYOIKCWSA-N 1 0 225.288 1.092 10 0 BDAERO COCC[C@@H]([NH2+]CCO)c1ccc(F)cc1 ZINC000166501309 174393488 /nfs/dbraw/zinc/39/34/88/174393488.db2.gz SHOQHGWLPSEBKO-GFCCVEGCSA-N 1 0 227.279 1.485 10 0 BDAERO COCC[C@H]([NH3+])C(=O)N(C)c1ccccc1C ZINC000052810367 174415298 /nfs/dbraw/zinc/41/52/98/174415298.db2.gz WQXTTYOEOTZTNA-NSHDSACASA-N 1 0 236.315 1.322 10 0 BDAERO COC[C@H]([NH3+])Cc1ccc(Cl)s1 ZINC000060697074 174575277 /nfs/dbraw/zinc/57/52/77/174575277.db2.gz MGTFVTZFFSRRCP-ZCFIWIBFSA-N 1 0 205.710 1.918 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCN2CCC2)C1(C)C ZINC000309471946 174785228 /nfs/dbraw/zinc/78/52/28/174785228.db2.gz QVSDVJPBQUAZOX-GRYCIOLGSA-N 1 0 226.364 1.341 10 0 BDAERO COc1cc(CCC[NH3+])cc(OC)c1OC ZINC000011596905 174977711 /nfs/dbraw/zinc/97/77/11/174977711.db2.gz LKINXVPAOSIISW-UHFFFAOYSA-N 1 0 225.288 1.604 10 0 BDAERO COc1cc(OC)c(OC)c2c1C[C@H](C)[NH2+]C2 ZINC000028429940 175007477 /nfs/dbraw/zinc/00/74/77/175007477.db2.gz CRBULIZWGYEMFZ-QMMMGPOBSA-N 1 0 237.299 1.747 10 0 BDAERO COc1cc(OC)c([C@H]2CC[C@H]2[NH3+])cc1OC ZINC000005998895 175007705 /nfs/dbraw/zinc/00/77/05/175007705.db2.gz FVHLLYXOSNOULA-PSASIEDQSA-N 1 0 237.299 1.917 10 0 BDAERO COc1cc([C@@H](O)C[NH3+])ccc1OCC(C)C ZINC000033468629 175015003 /nfs/dbraw/zinc/01/50/03/175015003.db2.gz JIEXGXRJRAOTHN-NSHDSACASA-N 1 0 239.315 1.722 10 0 BDAERO COc1cc([C@@H]2C[C@@H]2[NH3+])cc(OC)c1OC ZINC000002018190 175015159 /nfs/dbraw/zinc/01/51/59/175015159.db2.gz HNYWYOQSLRJIMG-IUCAKERBSA-N 1 0 223.272 1.527 10 0 BDAERO COc1cc([C@H]([NH3+])CO)c(Cl)cc1O ZINC000072198324 175017150 /nfs/dbraw/zinc/01/71/50/175017150.db2.gz OQQWKLZQPLORDG-SSDOTTSWSA-N 1 0 217.652 1.046 10 0 BDAERO COc1cc2c(c(OC)c1)C[C@@H](C)[NH2+]C2 ZINC000011597095 175019320 /nfs/dbraw/zinc/01/93/20/175019320.db2.gz SHQXTHIJYBWZCD-MRVPVSSYSA-N 1 0 207.273 1.738 10 0 BDAERO COc1cc2c(cc1OC)[C@@H](N(C)C)C[NH2+]C2 ZINC000020270343 175025404 /nfs/dbraw/zinc/02/54/04/175025404.db2.gz RGJQHEJNZHOYSV-NSHDSACASA-N 1 0 236.315 1.410 10 0 BDAERO COc1cc2c(cn1)[C@@H]1[NH2+]CC[C@@H]1CC2 ZINC000013907150 175026221 /nfs/dbraw/zinc/02/62/21/175026221.db2.gz PXBSPNGMNRTLCH-QPUJVOFHSA-N 1 0 204.273 1.687 10 0 BDAERO COc1cc2c[nH+]c(N)cc2cc1OC ZINC000039119739 175027309 /nfs/dbraw/zinc/02/73/09/175027309.db2.gz RPZJZZKBULSFPZ-UHFFFAOYSA-N 1 0 204.229 1.834 10 0 BDAERO COc1ccc(-c2[nH+]c(C)n(C)c2N)cc1 ZINC000104912100 175038884 /nfs/dbraw/zinc/03/88/84/175038884.db2.gz NNNNWSPYSCKOPH-UHFFFAOYSA-N 1 0 217.272 1.986 10 0 BDAERO COc1ccc(-n2cc(CC[NH3+])cn2)cc1 ZINC000071520083 175044278 /nfs/dbraw/zinc/04/42/78/175044278.db2.gz BAUYAEATLIVPOO-UHFFFAOYSA-N 1 0 217.272 1.382 10 0 BDAERO COc1ccc(C(=O)[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000036163398 175065682 /nfs/dbraw/zinc/06/56/82/175065682.db2.gz SYHZRTRLNZPWRB-NSHDSACASA-N 1 0 235.283 1.639 10 0 BDAERO COc1ccc(C)c2c1NC(=O)[C@H](C[NH3+])C2 ZINC000011982667 175070765 /nfs/dbraw/zinc/07/07/65/175070765.db2.gz CPIPIKRRQWBCOV-QMMMGPOBSA-N 1 0 220.272 1.073 10 0 BDAERO COc1ccc(C)cc1COCCC[NH3+] ZINC000051865234 175076129 /nfs/dbraw/zinc/07/61/29/175076129.db2.gz CYXXAEKFSZBQCA-UHFFFAOYSA-N 1 0 209.289 1.869 10 0 BDAERO COc1ccc(C)cc1C[C@H]([NH3+])c1cn(C)cn1 ZINC000096984321 175076854 /nfs/dbraw/zinc/07/68/54/175076854.db2.gz WPUYNRJWIWMZEE-LBPRGKRZSA-N 1 0 245.326 1.980 10 0 BDAERO COc1ccc(C)cc1C[C@@](C)(O)C[NH3+] ZINC000071511692 175076911 /nfs/dbraw/zinc/07/69/11/175076911.db2.gz LGNXBVZWRLXYRD-GFCCVEGCSA-N 1 0 209.289 1.256 10 0 BDAERO COc1ccc(C)cc1C[C@H]([NH3+])c1cnn(C)c1 ZINC000087422917 175077074 /nfs/dbraw/zinc/07/70/74/175077074.db2.gz UZXMRYYCNBUOID-ZDUSSCGKSA-N 1 0 245.326 1.980 10 0 BDAERO COc1ccc(C)cc1[C@H](O)C[NH+](C)C ZINC000042246097 175082069 /nfs/dbraw/zinc/08/20/69/175082069.db2.gz RJWYKUCTWFLJCT-LLVKDONJSA-N 1 0 209.289 1.599 10 0 BDAERO COc1ccc(CC[NH2+]C[C@@H]2CCOC2)cc1 ZINC000019907453 175091375 /nfs/dbraw/zinc/09/13/75/175091375.db2.gz MMTQXNWZIDUTHE-ZDUSSCGKSA-N 1 0 235.327 1.864 10 0 BDAERO COc1ccc(CC[C@H](C)N2CC[NH2+]CC2)cc1 ZINC000038086780 175093428 /nfs/dbraw/zinc/09/34/28/175093428.db2.gz OCMVYHSTEAQEIN-ZDUSSCGKSA-N 1 0 248.370 1.922 10 0 BDAERO COc1ccc(COC(=O)CC[NH3+])cc1Cl ZINC000049831543 175113142 /nfs/dbraw/zinc/11/31/42/175113142.db2.gz CNUJYSVGLFFDLE-UHFFFAOYSA-N 1 0 243.690 1.741 10 0 BDAERO COc1ccc(C[C@@H]([NH3+])c2ncc[nH]2)cc1F ZINC000082333440 175115720 /nfs/dbraw/zinc/11/57/20/175115720.db2.gz XPYNQXVJTAFSHM-SNVBAGLBSA-N 1 0 235.262 1.800 10 0 BDAERO COc1ccc(Cl)c([C@H](N)C[NH3+])c1 ZINC000072200577 175118423 /nfs/dbraw/zinc/11/84/23/175118423.db2.gz QRZMCTODTAUXFV-SECBINFHSA-N 1 0 200.669 1.307 10 0 BDAERO COc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@H]1[NH3+] ZINC000036234517 175120235 /nfs/dbraw/zinc/12/02/35/175120235.db2.gz BALRLJJFYIRTNA-RKDXNWHRSA-N 1 0 240.690 1.178 10 0 BDAERO COc1ccc(Cl)cc1C(=O)N[C@H]1C[C@H]1[NH3+] ZINC000036234519 175120310 /nfs/dbraw/zinc/12/03/10/175120310.db2.gz BALRLJJFYIRTNA-BDAKNGLRSA-N 1 0 240.690 1.178 10 0 BDAERO COc1ccc(Cl)cc1CC[NH2+][C@H](C)CO ZINC000098126737 175120609 /nfs/dbraw/zinc/12/06/09/175120609.db2.gz JMTQEHGKKQPYKD-SECBINFHSA-N 1 0 243.734 1.862 10 0 BDAERO COc1ccc(Cl)cc1C[C@@H]([NH3+])CN(C)C ZINC000071556782 175121120 /nfs/dbraw/zinc/12/11/20/175121120.db2.gz JLTRDLUDFHYNTM-LLVKDONJSA-N 1 0 242.750 1.780 10 0 BDAERO COc1ccc(F)cc1CCOCC[NH3+] ZINC000057939234 175129314 /nfs/dbraw/zinc/12/93/14/175129314.db2.gz IDQQPMILFDOEEZ-UHFFFAOYSA-N 1 0 213.252 1.352 10 0 BDAERO COc1ccc(F)cc1COCCC[NH3+] ZINC000057939235 175130224 /nfs/dbraw/zinc/13/02/24/175130224.db2.gz SXDVKLQVOYSVHF-UHFFFAOYSA-N 1 0 213.252 1.700 10 0 BDAERO COc1ccc(F)cc1[C@@H](O)CC[NH+](C)C ZINC000049820803 175133249 /nfs/dbraw/zinc/13/32/49/175133249.db2.gz WOZLHGXTECRZAT-NSHDSACASA-N 1 0 227.279 1.819 10 0 BDAERO COc1ccc(F)cc1[C@@H](O)[C@@H]1CCC[NH2+]1 ZINC000036161662 175133849 /nfs/dbraw/zinc/13/38/49/175133849.db2.gz PLLDIDVEVYWLCJ-CMPLNLGQSA-N 1 0 225.263 1.620 10 0 BDAERO COc1ccc(F)cc1[C@](O)(C[NH3+])C(C)C ZINC000082352054 175134228 /nfs/dbraw/zinc/13/42/28/175134228.db2.gz WSAQVDSYZZLZJG-LBPRGKRZSA-N 1 0 227.279 1.637 10 0 BDAERO COc1ccc(N2CC[C@H]([NH3+])C2=O)c(C)c1 ZINC000061568017 175139316 /nfs/dbraw/zinc/13/93/16/175139316.db2.gz CEKYBNZWADFCGL-JTQLQIEISA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1N ZINC000037758693 175146807 /nfs/dbraw/zinc/14/68/07/175146807.db2.gz WXPCACWKZTVFTM-VIFPVBQESA-N 1 0 249.314 1.168 10 0 BDAERO COc1ccc(N[C@@H]2CCC[NH2+]C2)cc1F ZINC000043325427 175153865 /nfs/dbraw/zinc/15/38/65/175153865.db2.gz ATPIQFHURSRLML-SNVBAGLBSA-N 1 0 224.279 1.998 10 0 BDAERO COc1ccc(N[C@@H]2CCC[NH2+]C2)cc1O ZINC000043326873 175154077 /nfs/dbraw/zinc/15/40/77/175154077.db2.gz PAIKENIISOFYCI-SNVBAGLBSA-N 1 0 222.288 1.565 10 0 BDAERO COc1ccc(OC)c(C(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000032090217 175164341 /nfs/dbraw/zinc/16/43/41/175164341.db2.gz VGQBZOZNAZDWOA-LBPRGKRZSA-N 1 0 237.299 1.870 10 0 BDAERO COc1ccc(OC)c(N2CC[C@H](C[NH3+])C2)c1 ZINC000011891699 175166423 /nfs/dbraw/zinc/16/64/23/175166423.db2.gz SDIVYXVMCKRKGW-SNVBAGLBSA-N 1 0 236.315 1.489 10 0 BDAERO COc1ccc(OC)c(N[C@H]2CC[N@H+](C)C2)c1 ZINC000061984575 175167062 /nfs/dbraw/zinc/16/70/62/175167062.db2.gz XNXIOXZVJLLKRG-JTQLQIEISA-N 1 0 236.315 1.820 10 0 BDAERO COc1ccc(OC)c([C@@]2(C)C[C@H]2C[NH3+])c1 ZINC000054588165 175167992 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/nfs/dbraw/zinc/31/84/98/175318498.db2.gz DUXGIFXGHGDDCL-UHFFFAOYSA-N 1 0 236.315 1.554 10 0 BDAERO COc1ccccc1C(=O)[C@H]1CCC[NH2+]1 ZINC000041213532 175319743 /nfs/dbraw/zinc/31/97/43/175319743.db2.gz HJLDZSQEPAWLEX-SNVBAGLBSA-N 1 0 205.257 1.630 10 0 BDAERO COc1ccccc1C[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000037895020 175332886 /nfs/dbraw/zinc/33/28/86/175332886.db2.gz SCTFHYHRUGVEPP-CQSZACIVSA-N 1 0 248.326 1.234 10 0 BDAERO COc1ccccc1N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104219253 175335142 /nfs/dbraw/zinc/33/51/42/175335142.db2.gz GMALLPVCJIAISG-GHMZBOCLSA-N 1 0 248.326 1.514 10 0 BDAERO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH3+] ZINC000037808286 175344589 /nfs/dbraw/zinc/34/45/89/175344589.db2.gz UCUIZSFYQHCFGX-SECBINFHSA-N 1 0 222.288 1.173 10 0 BDAERO COc1ccccc1[C@@H]([NH3+])CN1CCCCC1=O ZINC000020296311 175347817 /nfs/dbraw/zinc/34/78/17/175347817.db2.gz NCRACAFFULAXSY-LBPRGKRZSA-N 1 0 248.326 1.708 10 0 BDAERO COc1ccccc1[C@H](C[NH3+])n1ccnc1C ZINC000043098681 175353280 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176021734 /nfs/dbraw/zinc/02/17/34/176021734.db2.gz KUMWEHXENPXPEV-GXSJLCMTSA-N 1 0 204.273 1.307 10 0 BDAERO C[C@@H](c1ccccn1)N(C)C[C@@H]1CCC[NH2+]1 ZINC000095068214 176026830 /nfs/dbraw/zinc/02/68/30/176026830.db2.gz BJWBDXANEDJNMF-RYUDHWBXSA-N 1 0 219.332 1.826 10 0 BDAERO C[C@@H](c1cccs1)N1C[C@H]([NH3+])CC1=O ZINC000035737306 176033903 /nfs/dbraw/zinc/03/39/03/176033903.db2.gz CTLIAIVYYNWGEB-JGVFFNPUSA-N 1 0 210.302 1.369 10 0 BDAERO C[C@@H]1CCCCN1C(=O)C[NH2+]C1CCCC1 ZINC000037394928 176066468 /nfs/dbraw/zinc/06/64/68/176066468.db2.gz OUEMKQVWFQHQJE-LLVKDONJSA-N 1 0 224.348 1.920 10 0 BDAERO C[C@@H]1CCCN(C(=O)NC(C)(C)C[NH3+])C1 ZINC000082642279 176093020 /nfs/dbraw/zinc/09/30/20/176093020.db2.gz FHIAYNVYIHHLJF-SECBINFHSA-N 1 0 213.325 1.165 10 0 BDAERO C[C@@H]1CCC[N@H+](CCCn2cc(N)ccc2=O)C1 ZINC000037065100 176097698 /nfs/dbraw/zinc/09/76/98/176097698.db2.gz CRWNTZBYQAYZEC-GFCCVEGCSA-N 1 0 249.358 1.553 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CCCCCC1 ZINC000051792109 176111726 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1 0 223.320 1.387 10 0 BDAERO Cc1c(N)cccc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000049551411 177611785 /nfs/dbraw/zinc/61/17/85/177611785.db2.gz AUNFEYYHVGHHET-SNVBAGLBSA-N 1 0 249.358 1.647 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)CCS1 ZINC000306717820 487640319 /nfs/dbraw/zinc/64/03/19/487640319.db2.gz HWDANUXUSSKLDI-GMTAPVOTSA-N 1 0 215.362 1.727 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH+]1CCN(C2CCC2)CC1 ZINC000328282195 487642229 /nfs/dbraw/zinc/64/22/29/487642229.db2.gz ZPKJMBVAURTZJR-CHWSQXEVSA-N 1 0 224.348 1.070 10 0 BDAERO C[C@H]([NH2+]CCCOCC1CC1)[C@@H]1CC[NH2+]C1 ZINC000400380253 226342381 /nfs/dbraw/zinc/34/23/81/226342381.db2.gz KAILHMDGQVYTJU-WCQYABFASA-N 1 0 226.364 1.391 10 0 BDAERO CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)C1(C)C ZINC000400386335 226342536 /nfs/dbraw/zinc/34/25/36/226342536.db2.gz LXNYCUNUFBQHBH-WISYIIOYSA-N 1 0 226.364 1.388 10 0 BDAERO COC1(CC[N@@H+]2C[C@H](C)C[C@@H](O)C2)CCC1 ZINC000401753650 226362138 /nfs/dbraw/zinc/36/21/38/226362138.db2.gz 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CC[C@@H](NC(=O)CC[NH2+]C1CC1)C(C)C ZINC000042592980 487761585 /nfs/dbraw/zinc/76/15/85/487761585.db2.gz LZLNLRUZPFKERD-LLVKDONJSA-N 1 0 212.337 1.679 10 0 BDAERO CC[C@H]1C[C@H]([NH2+]CCn2cc(C)cn2)CCO1 ZINC000234100309 487761815 /nfs/dbraw/zinc/76/18/15/487761815.db2.gz NIZIACPJNMKFTL-OLZOCXBDSA-N 1 0 237.347 1.739 10 0 BDAERO C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251565648 487769788 /nfs/dbraw/zinc/76/97/88/487769788.db2.gz AMGACVKLBRIHRB-KXNHARMFSA-N 1 0 224.348 1.666 10 0 BDAERO OC[C@H]1COCC[N@@H+]1CCC1=CCCCC1 ZINC000385211882 487774734 /nfs/dbraw/zinc/77/47/34/487774734.db2.gz QKOLQUZIUOOWBX-ZDUSSCGKSA-N 1 0 225.332 1.570 10 0 BDAERO CC1CCC(CN2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000251670837 487787409 /nfs/dbraw/zinc/78/74/09/487787409.db2.gz GLBJXAUJMUREMC-JXQTWKCFSA-N 1 0 239.407 1.387 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223768634 487793862 /nfs/dbraw/zinc/79/38/62/487793862.db2.gz HKWKOPMYKATNGA-BKPPORCPSA-N 1 0 236.237 1.053 10 0 BDAERO CCO[C@@H]1CCCN(C(=O)[C@H]([NH3+])[C@H](C)CC)C1 ZINC000251944185 487809353 /nfs/dbraw/zinc/80/93/53/487809353.db2.gz SVXVCIYRZAHRNK-IJLUTSLNSA-N 1 0 242.363 1.387 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])nc1 ZINC000089450022 487816844 /nfs/dbraw/zinc/81/68/44/487816844.db2.gz SQGBTCJSIXWEON-QWRGUYRKSA-N 1 0 233.315 1.704 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000089450722 487818362 /nfs/dbraw/zinc/81/83/62/487818362.db2.gz HMJUMIIRCMUGLK-IRCOFANPSA-N 1 0 240.347 1.045 10 0 BDAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000676234596 487825242 /nfs/dbraw/zinc/82/52/42/487825242.db2.gz FIGNFFYWNPVKOJ-CYBMUJFWSA-N 1 0 246.354 1.962 10 0 BDAERO C[C@@H](CC[NH2+][C@@H]1CCNC1=O)c1ccccc1 ZINC000676234702 487826241 /nfs/dbraw/zinc/82/62/41/487826241.db2.gz KDSFRBYSWHFGMD-WCQYABFASA-N 1 0 232.327 1.658 10 0 BDAERO CCC[C@H](C[NH2+][C@@H]1CCC[C@@H](O)C1)OC ZINC000386157497 487829053 /nfs/dbraw/zinc/82/90/53/487829053.db2.gz UDOZEOCKBVVTRN-IJLUTSLNSA-N 1 0 215.337 1.695 10 0 BDAERO Fc1cccc2nc(N[C@H]3CC[NH2+]C3)oc21 ZINC000212426972 487842147 /nfs/dbraw/zinc/84/21/47/487842147.db2.gz ZCJZBKURQGHBSY-ZETCQYMHSA-N 1 0 221.235 1.741 10 0 BDAERO C[C@H](C[NH3+])N(C)c1nc2cccc(F)c2o1 ZINC000212548744 487847387 /nfs/dbraw/zinc/84/73/87/487847387.db2.gz WWXYIAPKFMLMGL-SSDOTTSWSA-N 1 0 223.251 1.750 10 0 BDAERO CC[S@](=O)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309028632 631808753 /nfs/dbraw/zinc/80/87/53/631808753.db2.gz CGCOYMMBYVSVFK-ZETOZRRWSA-N 1 0 235.368 1.873 10 0 BDAERO CCc1csc(N2CCCO[C@H](C[NH3+])C2)n1 ZINC000313346966 322954844 /nfs/dbraw/zinc/95/48/44/322954844.db2.gz HSUOJZWWELGYCQ-SNVBAGLBSA-N 1 0 241.360 1.260 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)Nc1ccccc1 ZINC000309330994 487867248 /nfs/dbraw/zinc/86/72/48/487867248.db2.gz SJRGHRJXDRLQHI-GXSJLCMTSA-N 1 0 219.288 1.640 10 0 BDAERO CCCc1nccnc1N[C@H](C)C[C@@H](C)[NH3+] ZINC000663274316 487890786 /nfs/dbraw/zinc/89/07/86/487890786.db2.gz MUXDWUNEZFTPDO-NXEZZACHSA-N 1 0 222.336 1.967 10 0 BDAERO Cc1nnc(N2CC[NH2+][C@@H](C(C)C)C2)s1 ZINC000083354940 487905922 /nfs/dbraw/zinc/90/59/22/487905922.db2.gz VFSANKMQKMHTBF-SECBINFHSA-N 1 0 226.349 1.281 10 0 BDAERO Cc1ccnc(N2CCC(C)([NH3+])CC2)c1 ZINC000142307781 487914371 /nfs/dbraw/zinc/91/43/71/487914371.db2.gz OZJIMHLMRIYBMB-UHFFFAOYSA-N 1 0 205.305 1.708 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncnc2c1CCCC2 ZINC000229596629 487929152 /nfs/dbraw/zinc/92/91/52/487929152.db2.gz GRDXWGVCHSKDDD-ZYHUDNBSSA-N 1 0 246.358 1.908 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncnc2c1CCCC2 ZINC000229596610 487929166 /nfs/dbraw/zinc/92/91/66/487929166.db2.gz GRDXWGVCHSKDDD-PWSUYJOCSA-N 1 0 246.358 1.908 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)C1CC1 ZINC000158015038 487934038 /nfs/dbraw/zinc/93/40/38/487934038.db2.gz VQEBZIXZMSEDEG-IQJOONFLSA-N 1 0 212.337 1.522 10 0 BDAERO CCC(C)(C)[C@@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000659339716 487941940 /nfs/dbraw/zinc/94/19/40/487941940.db2.gz KOTGSFRBNYOCAY-SNVBAGLBSA-N 1 0 242.363 1.435 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000659339904 487943188 /nfs/dbraw/zinc/94/31/88/487943188.db2.gz FCKPAZFAAYFJMS-GARJFASQSA-N 1 0 212.337 1.666 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000151431158 323016391 /nfs/dbraw/zinc/01/63/91/323016391.db2.gz OYRLSCSQZUJJDI-NEPJUHHUSA-N 1 0 240.347 1.108 10 0 BDAERO COC[C@H](C)C(=O)N(CC[NH+](C)C)C(C)C ZINC000151778790 323026842 /nfs/dbraw/zinc/02/68/42/323026842.db2.gz ZXIFXZFBLJBTDN-NSHDSACASA-N 1 0 230.352 1.068 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1nccnc1OCC ZINC000570667802 323066537 /nfs/dbraw/zinc/06/65/37/323066537.db2.gz QIDVDVWGVZHPKL-SNVBAGLBSA-N 1 0 238.335 1.227 10 0 BDAERO CC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000082699231 323088225 /nfs/dbraw/zinc/08/82/25/323088225.db2.gz NYLHTNMTTYFXJZ-ZYHUDNBSSA-N 1 0 210.321 1.134 10 0 BDAERO CC[C@H](O)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000571040562 323104467 /nfs/dbraw/zinc/10/44/67/323104467.db2.gz IZCKJARAFWPKPI-USZNOCQGSA-N 1 0 215.337 1.551 10 0 BDAERO COc1ccc(F)cc1C[NH2+]CC1CC(O)C1 ZINC000310146345 323128323 /nfs/dbraw/zinc/12/83/23/323128323.db2.gz LOVVHHLMJJVHGE-UHFFFAOYSA-N 1 0 239.290 1.695 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccn2)C1 ZINC000049028610 323156917 /nfs/dbraw/zinc/15/69/17/323156917.db2.gz AYNUBLQMGYRNRD-LLVKDONJSA-N 1 0 248.330 1.687 10 0 BDAERO C[C@H]([NH2+]C1(C(N)=O)CC1)C1C(C)(C)C1(C)C ZINC000309603014 323169781 /nfs/dbraw/zinc/16/97/81/323169781.db2.gz YBFLABQDHINZHV-QMMMGPOBSA-N 1 0 224.348 1.665 10 0 BDAERO C[C@@H](O)CCC[NH2+]C[C@H](O)C(C)(C)C ZINC000308566697 323175761 /nfs/dbraw/zinc/17/57/61/323175761.db2.gz YRHVKKQZGVWMPG-ZJUUUORDSA-N 1 0 203.326 1.144 10 0 BDAERO CCC[C@H](C(=O)N1CCS[C@H](C)C1)[NH+](C)C ZINC000152393148 323180566 /nfs/dbraw/zinc/18/05/66/323180566.db2.gz POLDDPZYTHWUSY-GHMZBOCLSA-N 1 0 244.404 1.681 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000308891139 323181096 /nfs/dbraw/zinc/18/10/96/323181096.db2.gz WXLJQYSQHJDFSS-CZESERPMSA-N 1 0 203.285 1.670 10 0 BDAERO CCc1nc(CC[NH2+]CC2(F)CC2)no1 ZINC000309038329 323197667 /nfs/dbraw/zinc/19/76/67/323197667.db2.gz JOEBCBMEFNVJCP-UHFFFAOYSA-N 1 0 213.256 1.266 10 0 BDAERO Cc1csc([C@H]2CCCN2C(=O)C[NH3+])n1 ZINC000083888613 487959705 /nfs/dbraw/zinc/95/97/05/487959705.db2.gz ICCLHJGVORNYDL-MRVPVSSYSA-N 1 0 225.317 1.074 10 0 BDAERO [NH3+]C[C@H](c1ccc(O)cc1)C1(CO)CCC1 ZINC000536955402 323965130 /nfs/dbraw/zinc/96/51/30/323965130.db2.gz YOZHZLVQNKJBEI-GFCCVEGCSA-N 1 0 221.300 1.597 10 0 BDAERO COc1cccc([C@@H]2CO[C@@H](C[NH3+])C2)c1 ZINC000536957451 323968451 /nfs/dbraw/zinc/96/84/51/323968451.db2.gz HDMXNDBGAOLCNR-CMPLNLGQSA-N 1 0 207.273 1.526 10 0 BDAERO COc1ccccc1[C@H]1CC[C@@H](C[NH3+])OC1 ZINC000536958186 323969640 /nfs/dbraw/zinc/96/96/40/323969640.db2.gz MGCSGYVIERNCJR-QWRGUYRKSA-N 1 0 221.300 1.917 10 0 BDAERO CC(C)n1cc([C@@H]2[NH2+]C[C@@]23CCOC3)cn1 ZINC000536960875 323974191 /nfs/dbraw/zinc/97/41/91/323974191.db2.gz UVWNYJYVUAVKHE-NWDGAFQWSA-N 1 0 221.304 1.515 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1CCS[C@@H](C)C1 ZINC000157590471 324132878 /nfs/dbraw/zinc/13/28/78/324132878.db2.gz KTEKUGDLGLBZCO-JTQLQIEISA-N 1 0 230.377 1.338 10 0 BDAERO O=C1CC[C@@H]2[C@H](CC[N@@H+]2Cc2cccs2)N1 ZINC000253616538 324192112 /nfs/dbraw/zinc/19/21/12/324192112.db2.gz WHSHBUZGQVUVBN-WDEREUQCSA-N 1 0 236.340 1.601 10 0 BDAERO CC[C@@H](C)[NH+]1CCN(C(=O)OC(C)C)CC1 ZINC000127298510 324758763 /nfs/dbraw/zinc/75/87/63/324758763.db2.gz AASJIVJAZLFEFW-LLVKDONJSA-N 1 0 228.336 1.948 10 0 BDAERO Cc1noc(CC[NH2+]Cc2ccc(C)cn2)n1 ZINC000134287508 325352527 /nfs/dbraw/zinc/35/25/27/325352527.db2.gz OPWRSWDIBIPRMY-UHFFFAOYSA-N 1 0 232.287 1.414 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)C1 ZINC000567558286 326216384 /nfs/dbraw/zinc/21/63/84/326216384.db2.gz YPOBSYBVYURRIU-VQXHTEKXSA-N 1 0 224.348 1.537 10 0 BDAERO C[C@@H]1C[C@H](C)N(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000157831003 326297445 /nfs/dbraw/zinc/29/74/45/326297445.db2.gz IOMOUPRFUIFXDN-WOPDTQHZSA-N 1 0 224.348 1.633 10 0 BDAERO Cc1cc(C)nc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000165737248 326426123 /nfs/dbraw/zinc/42/61/23/326426123.db2.gz QJJMSZDIQGHRGJ-YUMQZZPRSA-N 1 0 208.309 1.631 10 0 BDAERO O[C@@H](C[NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000309609555 487980442 /nfs/dbraw/zinc/98/04/42/487980442.db2.gz YZBCDQUZQRFPQF-OLZOCXBDSA-N 1 0 227.348 1.696 10 0 BDAERO C[C@H]1CN(C(=O)Nc2ccccc2)C[C@H]1[NH3+] ZINC000235651854 487998837 /nfs/dbraw/zinc/99/88/37/487998837.db2.gz QPQZWXGBSWEDQP-GXSJLCMTSA-N 1 0 219.288 1.498 10 0 BDAERO Cc1cc(C(C)C)nc(NC[C@@H](C)C[NH3+])n1 ZINC000229932773 487998839 /nfs/dbraw/zinc/99/88/39/487998839.db2.gz GQECPUYAPQLMFN-VIFPVBQESA-N 1 0 222.336 1.915 10 0 BDAERO CC[C@H]1CN(C(=O)CC(F)(F)F)CC[C@@H]1[NH3+] ZINC000147313633 487999700 /nfs/dbraw/zinc/99/97/00/487999700.db2.gz IOXQRCLCXCPHTC-YUMQZZPRSA-N 1 0 238.253 1.525 10 0 BDAERO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000668616493 488010340 /nfs/dbraw/zinc/01/03/40/488010340.db2.gz NLZKOCCMJDRSEQ-NEPJUHHUSA-N 1 0 226.364 1.737 10 0 BDAERO COC[C@@H](C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000309645856 488010186 /nfs/dbraw/zinc/01/01/86/488010186.db2.gz QILLHVRTWZBRPC-HTQZYQBOSA-N 1 0 211.265 1.244 10 0 BDAERO CC(C)([NH3+])c1cn(C[C@@H]2Cc3ccccc32)nn1 ZINC000090981482 488015249 /nfs/dbraw/zinc/01/52/49/488015249.db2.gz QWYZQXYOSXPVKS-NSHDSACASA-N 1 0 242.326 1.812 10 0 BDAERO [NH3+]Cc1nc(C(F)(F)F)cnc1Cl ZINC000584645644 488022867 /nfs/dbraw/zinc/02/28/67/488022867.db2.gz APWUHCIFUUFGHD-UHFFFAOYSA-N 1 0 211.574 1.608 10 0 BDAERO Cc1nc(NC[C@@H]2COCC[NH2+]2)sc1C ZINC000235951070 488032971 /nfs/dbraw/zinc/03/29/71/488032971.db2.gz ZNFQLLBLUCBARA-SECBINFHSA-N 1 0 227.333 1.160 10 0 BDAERO Cc1nc(NC[C@H]2COCC[NH2+]2)sc1C ZINC000235952654 488032824 /nfs/dbraw/zinc/03/28/24/488032824.db2.gz ZNFQLLBLUCBARA-VIFPVBQESA-N 1 0 227.333 1.160 10 0 BDAERO CC1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084308403 488042417 /nfs/dbraw/zinc/04/24/17/488042417.db2.gz SKUFXHUPYYWBBD-VXGBXAGGSA-N 1 0 224.348 1.620 10 0 BDAERO Cc1csc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084308984 488043206 /nfs/dbraw/zinc/04/32/06/488043206.db2.gz ZBZADZIIQNJPRE-DTWKUNHWSA-N 1 0 239.344 1.765 10 0 BDAERO CC(C)[C@@H]1C[NH2+]CCN1c1ccc(F)cn1 ZINC000083352815 488046141 /nfs/dbraw/zinc/04/61/41/488046141.db2.gz DTKVKMDNNFPBIH-NSHDSACASA-N 1 0 223.295 1.655 10 0 BDAERO CCN(CC1CC1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000129070980 488072123 /nfs/dbraw/zinc/07/21/23/488072123.db2.gz QWNLZWQVVMNLRS-LLVKDONJSA-N 1 0 212.337 1.618 10 0 BDAERO COc1cc(C)nc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000257644144 488075367 /nfs/dbraw/zinc/07/53/67/488075367.db2.gz GKFZYMILBFFFRT-UWVGGRQHSA-N 1 0 236.319 1.333 10 0 BDAERO Cc1ncc(NC(=O)C2CCC([NH3+])CC2)cn1 ZINC000257648069 488076521 /nfs/dbraw/zinc/07/65/21/488076521.db2.gz BGWWRNQQWZUVDW-UHFFFAOYSA-N 1 0 234.303 1.241 10 0 BDAERO Cc1cncc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000225813815 488080463 /nfs/dbraw/zinc/08/04/63/488080463.db2.gz KYMDNUNEXNIVFR-NSHDSACASA-N 1 0 221.304 1.702 10 0 BDAERO CC[C@H](C)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226284271 488083672 /nfs/dbraw/zinc/08/36/72/488083672.db2.gz OKDAOWABJQUMFI-YNEHKIRRSA-N 1 0 226.364 1.316 10 0 BDAERO COc1cccnc1N[C@@H]1CCC[NH2+][C@H]1C ZINC000129540178 488091539 /nfs/dbraw/zinc/09/15/39/488091539.db2.gz SUZWYBZFMPOSPI-VHSXEESVSA-N 1 0 221.304 1.643 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1ccccn1 ZINC000136312424 488093961 /nfs/dbraw/zinc/09/39/61/488093961.db2.gz QPFWSSOZOWZUTN-GHMZBOCLSA-N 1 0 235.331 1.632 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CCc1ccccn1 ZINC000136306753 488094189 /nfs/dbraw/zinc/09/41/89/488094189.db2.gz SFPIBWDXNNMXDC-ZDUSSCGKSA-N 1 0 249.358 1.456 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)C[C@H]([NH3+])C(C)C ZINC000136313454 488094792 /nfs/dbraw/zinc/09/47/92/488094792.db2.gz GKRCAICYJXVORE-TUAOUCFPSA-N 1 0 242.363 1.386 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389500366 488099542 /nfs/dbraw/zinc/09/95/42/488099542.db2.gz BXFAXYYTXVQARX-VOAKCMCISA-N 1 0 208.349 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BDAERO CCc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])nc(C)n1 ZINC000261548818 536147732 /nfs/dbraw/zinc/14/77/32/536147732.db2.gz FGIJBMOROSHGLO-MFKMUULPSA-N 1 0 248.374 1.911 10 0 BDAERO Cc1nc(Cn2cc[nH+]c2N)sc1C ZINC000702459894 582926540 /nfs/dbraw/zinc/92/65/40/582926540.db2.gz LIKWFXZBMBWUTR-UHFFFAOYSA-N 1 0 208.290 1.587 10 0 BDAERO COC1(C[N@@H+]2C[C@H](C)OC[C@@H]2C)CCC1 ZINC000336196801 536632220 /nfs/dbraw/zinc/63/22/20/536632220.db2.gz YTZVNABBJRREBB-QWRGUYRKSA-N 1 0 213.321 1.665 10 0 BDAERO COc1cc(C)ccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164136515 536664072 /nfs/dbraw/zinc/66/40/72/536664072.db2.gz HSBANGWWHMLQMK-JTQLQIEISA-N 1 0 248.326 1.798 10 0 BDAERO COc1ccc(OCC[NH2+]C2COC2)cc1 ZINC000087195509 536849822 /nfs/dbraw/zinc/84/98/22/536849822.db2.gz VGRLZSRBPRKWQM-UHFFFAOYSA-N 1 0 223.272 1.062 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000252712067 536877311 /nfs/dbraw/zinc/87/73/11/536877311.db2.gz LJIYSQOVWJUNMS-IRCOFANPSA-N 1 0 215.337 1.551 10 0 BDAERO 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Cc1nc([C@@H](O)C(C)(C)C)sc1C[NH3+] ZINC000757135050 582513658 /nfs/dbraw/zinc/51/36/58/582513658.db2.gz ZWDHVZBNONAXGS-MRVPVSSYSA-N 1 0 214.334 1.990 10 0 BDAERO CC(C)(C)[C@H]1CN[C@@]2(CCC[NH2+]C2)OC1 ZINC000757143748 582524127 /nfs/dbraw/zinc/52/41/27/582524127.db2.gz FFJZRDSTNKTANX-JQWIXIFHSA-N 1 0 212.337 1.348 10 0 BDAERO C[C@@H]1[NH2+]CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000757144590 582525273 /nfs/dbraw/zinc/52/52/73/582525273.db2.gz GCLNMGNAVOGRNN-SECBINFHSA-N 1 0 242.319 1.332 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ncc2ccsc2n1 ZINC000757145749 582528564 /nfs/dbraw/zinc/52/85/64/582528564.db2.gz LVNFWQZQKGLCEH-MRVPVSSYSA-N 1 0 220.301 1.229 10 0 BDAERO C1CCC2(C1)CN[C@@]1(CCC[NH2+]C1)OC2 ZINC000757146080 582529174 /nfs/dbraw/zinc/52/91/74/582529174.db2.gz RCUVWKXZKKTFFO-LBPRGKRZSA-N 1 0 210.321 1.246 10 0 BDAERO C1CC12C[NH2+][C@@]1(CCOC1)OC21CCC1 ZINC000757146108 582529224 /nfs/dbraw/zinc/52/92/24/582529224.db2.gz QKRVEAQZHZKNHC-LBPRGKRZSA-N 1 0 209.289 1.426 10 0 BDAERO [NH3+]C[C@H]1CCN1Cc1c(F)cccc1F ZINC000757146061 582529283 /nfs/dbraw/zinc/52/92/83/582529283.db2.gz OOOLKMFJMRDXRH-MRVPVSSYSA-N 1 0 212.243 1.498 10 0 BDAERO [NH3+]C[C@H]1CCN1Cc1csc(Cl)c1 ZINC000757146823 582530586 /nfs/dbraw/zinc/53/05/86/582530586.db2.gz RSURHIGXRBXSHT-MRVPVSSYSA-N 1 0 216.737 1.935 10 0 BDAERO CC[C@@H]1CC[NH2+][C@]2(CN3CCC2CC3)O1 ZINC000757150017 582533796 /nfs/dbraw/zinc/53/37/96/582533796.db2.gz XEDQWJMVJHMCQL-VXGBXAGGSA-N 1 0 210.321 1.197 10 0 BDAERO CC(C)[C@@H]1[NH2+][C@@]2(CCOC2)OCC12CCC2 ZINC000757150534 582534694 /nfs/dbraw/zinc/53/46/94/582534694.db2.gz YKZDTLCAKVTTQQ-AAEUAGOBSA-N 1 0 225.332 1.918 10 0 BDAERO CCN(CC)S(=O)(=O)C[C@@H]([NH3+])CC(C)C ZINC000757153129 582536496 /nfs/dbraw/zinc/53/64/96/582536496.db2.gz NIVCOGIJLJMMGT-JTQLQIEISA-N 1 0 236.381 1.031 10 0 BDAERO [NH3+][C@@H](CO)CSCc1ccc(Cl)o1 ZINC000757166391 582547541 /nfs/dbraw/zinc/54/75/41/582547541.db2.gz UIQULJUIBMKFFZ-LURJTMIESA-N 1 0 221.709 1.486 10 0 BDAERO Cc1ccoc1CSCC[C@H](O)C[NH3+] 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ZINC000757218550 582562461 /nfs/dbraw/zinc/56/24/61/582562461.db2.gz WABHZXWLJGDTIV-JQWIXIFHSA-N 1 0 205.305 1.063 10 0 BDAERO COC(=O)[C@H]1CC[NH2+][C@H](c2cccc(N)c2)C1 ZINC000757217919 582562544 /nfs/dbraw/zinc/56/25/44/582562544.db2.gz UANULVXZCCZGTP-JQWIXIFHSA-N 1 0 234.299 1.483 10 0 BDAERO CC(=O)c1cccc([C@@H]2NC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000757218536 582562822 /nfs/dbraw/zinc/56/28/22/582562822.db2.gz VQYPNSVNZLEOLW-QCZZGDTMSA-N 1 0 232.327 1.887 10 0 BDAERO CC1(C)C[C@]2(CCO1)[NH2+]CCc1nc[nH]c12 ZINC000400485353 582579114 /nfs/dbraw/zinc/57/91/14/582579114.db2.gz FSWBYTWZKDYNNP-LBPRGKRZSA-N 1 0 221.304 1.340 10 0 BDAERO CC(C)N(CC1CC1)C(=O)C1([NH3+])CCOCC1 ZINC000127890933 582595235 /nfs/dbraw/zinc/59/52/35/582595235.db2.gz TWOROQYNWFJZLX-UHFFFAOYSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1cn2c([nH+]1)NC[C@H](c1ccncc1)C2 ZINC000236044960 582637815 /nfs/dbraw/zinc/63/78/15/582637815.db2.gz WTTFFPBMEDIUKF-NSHDSACASA-N 1 0 214.272 1.796 10 0 BDAERO c1cc2c(s1)CC[NH2+][C@H]2[C@@H]1CCOC1 ZINC000306555989 582653181 /nfs/dbraw/zinc/65/31/81/582653181.db2.gz FQTHGNKANUMURE-KCJUWKMLSA-N 1 0 209.314 1.971 10 0 BDAERO c1nc2c([nH]1)[C@@H]([C@@H]1C[C@H]3C[C@H]3C1)[NH2+]CC2 ZINC000700030306 582747616 /nfs/dbraw/zinc/74/76/16/582747616.db2.gz OEUZHKDIBQAQDN-PKIKSRDPSA-N 1 0 203.289 1.643 10 0 BDAERO c1nc2c([nH]1)[C@H]([C@H]1CCCOC1)[NH2+]CC2 ZINC000259479099 582834295 /nfs/dbraw/zinc/83/42/95/582834295.db2.gz NCZYTMRHQUMHGQ-WPRPVWTQSA-N 1 0 207.277 1.023 10 0 BDAERO O=C(C[C@@H]1[NH2+]CCc2ccoc21)NC1CC1 ZINC000701404433 582916347 /nfs/dbraw/zinc/91/63/47/582916347.db2.gz WEMCDHDNSFGNMA-JTQLQIEISA-N 1 0 220.272 1.135 10 0 BDAERO C[C@H](C[NH3+])[C@@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394488677 582987037 /nfs/dbraw/zinc/98/70/37/582987037.db2.gz PWSNUFDGVFHUSK-BXUZGUMPSA-N 1 0 245.326 1.560 10 0 BDAERO C[C@H](C(=O)N1C[C@H]([NH3+])C(C)(C)C1)C(C)(C)C ZINC000399159926 583755662 /nfs/dbraw/zinc/75/56/62/583755662.db2.gz IPBPNGJSSLVMDG-ZJUUUORDSA-N 1 0 226.364 1.864 10 0 BDAERO [NH3+]CC[C@@H](O)c1cccc(Cl)c1F ZINC000088122134 584907490 /nfs/dbraw/zinc/90/74/90/584907490.db2.gz SZGPMFUVRXLZJF-MRVPVSSYSA-N 1 0 203.644 1.861 10 0 BDAERO CC(C)OC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000200168078 585737101 /nfs/dbraw/zinc/73/71/01/585737101.db2.gz DXGTVANNTZPRBE-NSHDSACASA-N 1 0 226.320 1.557 10 0 BDAERO NNc1[nH+]cnc2c1nnn2C1CCCCC1 ZINC000757564212 586254070 /nfs/dbraw/zinc/25/40/70/586254070.db2.gz CIYZKJPXEDGGEN-UHFFFAOYSA-N 1 0 233.279 1.012 10 0 BDAERO C1C[C@@]2(CO1)CC[NH2+]C1(CCCCC1)O2 ZINC000757138283 586427611 /nfs/dbraw/zinc/42/76/11/586427611.db2.gz BAIQTVUXWABNPU-LLVKDONJSA-N 1 0 211.305 1.816 10 0 BDAERO CCN(CC)S(=O)(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000757149601 586428947 /nfs/dbraw/zinc/42/89/47/586428947.db2.gz FNNYHVAFDICNCS-SECBINFHSA-N 1 0 236.381 1.031 10 0 BDAERO CCN(CC)S(=O)(=O)C[C@H]([NH3+])C(C)(C)C ZINC000757149602 586429156 /nfs/dbraw/zinc/42/91/56/586429156.db2.gz FNNYHVAFDICNCS-VIFPVBQESA-N 1 0 236.381 1.031 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1nc2ccccc2[nH]1 ZINC000757153072 586429607 /nfs/dbraw/zinc/42/96/07/586429607.db2.gz SPXZZJWZJDCBRL-QMMMGPOBSA-N 1 0 202.261 1.100 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnc(Cl)s1 ZINC000757192247 586435969 /nfs/dbraw/zinc/43/59/69/586435969.db2.gz WOXRFKFKYDLMJY-WDSKDSINSA-N 1 0 246.719 1.273 10 0 BDAERO [NH3+]Cc1cccc([C@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)c1 ZINC000757207795 586437782 /nfs/dbraw/zinc/43/77/82/586437782.db2.gz BVRLHPMTYRLSGC-RYUDHWBXSA-N 1 0 234.299 1.066 10 0 BDAERO [NH3+]Cc1cccc([C@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)c1 ZINC000757208343 586437967 /nfs/dbraw/zinc/43/79/67/586437967.db2.gz CKAVDYKJYUEQNN-NEPJUHHUSA-N 1 0 234.299 1.413 10 0 BDAERO [NH3+]C[C@@H]1OCCC12CCC(F)(F)CC2 ZINC000757209204 586438513 /nfs/dbraw/zinc/43/85/13/586438513.db2.gz IHLCAVJBVOXRTF-QMMMGPOBSA-N 1 0 205.248 1.930 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2[NH2+]CCC[C@H]2C(=O)[O-])cc1 ZINC000757210791 586438985 /nfs/dbraw/zinc/43/89/85/586438985.db2.gz HDURMXLRLQQVEF-NEPJUHHUSA-N 1 0 234.299 1.271 10 0 BDAERO NC[C@@H]1CC[C@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757212628 586439347 /nfs/dbraw/zinc/43/93/47/586439347.db2.gz JOEYGJKCFQYAMG-RYUDHWBXSA-N 1 0 229.327 1.962 10 0 BDAERO CC(=O)c1cccc([C@H]2CC[C@H](CN)[NH2+]C2)c1 ZINC000757212324 586439688 /nfs/dbraw/zinc/43/96/88/586439688.db2.gz ICMAVXGLQOLMFT-UONOGXRCSA-N 1 0 232.327 1.684 10 0 BDAERO CC(=O)c1ccc([C@@H]2CC[C@H]([NH3+])CN2)cc1 ZINC000757215046 586440157 /nfs/dbraw/zinc/44/01/57/586440157.db2.gz MGLLWJBADLJQJV-STQMWFEESA-N 1 0 218.300 1.641 10 0 BDAERO CC(C)(C)OC(=O)N[C@@]12CC[C@@H](C[C@@H]1[NH3+])C2 ZINC000757215668 586440723 /nfs/dbraw/zinc/44/07/23/586440723.db2.gz WONVKJXCDMWUQZ-HOTUBEGUSA-N 1 0 226.320 1.781 10 0 BDAERO N[C@H]1C[NH2+]CC[C@H]1c1cccc2cc[nH]c21 ZINC000757217121 586441194 /nfs/dbraw/zinc/44/11/94/586441194.db2.gz RHZGYLSYUNJAPZ-JQWIXIFHSA-N 1 0 215.300 1.572 10 0 BDAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cccc(C=O)c2)N1 ZINC000757216806 586441307 /nfs/dbraw/zinc/44/13/07/586441307.db2.gz QCDGGOYPNRXIBO-WQAKAFBOSA-N 1 0 218.300 1.639 10 0 BDAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCC(C)=O)C1 ZINC000101565519 587761250 /nfs/dbraw/zinc/76/12/50/587761250.db2.gz FEOFLWWEHLXFRX-GFCCVEGCSA-N 1 0 240.347 1.346 10 0 BDAERO Cc1nn(-c2ccccc2)cc1C(N)=[NH2+] ZINC000107368491 588355209 /nfs/dbraw/zinc/35/52/09/588355209.db2.gz UUEWKTSPVBCDHK-UHFFFAOYSA-N 1 0 200.245 1.465 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(C[C@@H]2CCCO2)no1 ZINC000109495543 588563683 /nfs/dbraw/zinc/56/36/83/588563683.db2.gz CDOFYXXJMJLCOQ-VHSXEESVSA-N 1 0 239.319 1.317 10 0 BDAERO C[C@@H]([NH3+])CCc1nc(Cc2ccncc2)no1 ZINC000109508986 588564617 /nfs/dbraw/zinc/56/46/17/588564617.db2.gz AMJCOCZTDJGGBI-SECBINFHSA-N 1 0 232.287 1.335 10 0 BDAERO Cc1cc2c(ncnc2N(C)[C@@H]2CC[NH2+]C2)s1 ZINC000110779426 588695963 /nfs/dbraw/zinc/69/59/63/588695963.db2.gz HZUKNOMIZPXHRP-SECBINFHSA-N 1 0 248.355 1.798 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000119829013 589336345 /nfs/dbraw/zinc/33/63/45/589336345.db2.gz YDHFKKDDGRZQOC-WXHSDQCUSA-N 1 0 221.300 1.487 10 0 BDAERO C[C@H]([NH3+])C1CCN(c2cncc(Cl)n2)CC1 ZINC000126481843 590319704 /nfs/dbraw/zinc/31/97/04/590319704.db2.gz JSUZFTYLKQQAGE-QMMMGPOBSA-N 1 0 240.738 1.694 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000126490828 590320878 /nfs/dbraw/zinc/32/08/78/590320878.db2.gz WMUKYUQAFNXROB-BDAKNGLRSA-N 1 0 240.738 1.694 10 0 BDAERO C[C@H]1CN(c2cncc(Cl)n2)[C@@H](C)C[NH2+]1 ZINC000126495186 590321699 /nfs/dbraw/zinc/32/16/99/590321699.db2.gz BTOKQDYDHQVOFM-YUMQZZPRSA-N 1 0 226.711 1.317 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)OC ZINC000128828428 591165183 /nfs/dbraw/zinc/16/51/83/591165183.db2.gz SOFOOUDICSSAMI-VIFPVBQESA-N 1 0 200.282 1.169 10 0 BDAERO CO[C@@H](c1noc(CCCC[NH3+])n1)C1CC1 ZINC000131248039 591578702 /nfs/dbraw/zinc/57/87/02/591578702.db2.gz QHKXGMJUSLXYFD-SNVBAGLBSA-N 1 0 225.292 1.449 10 0 BDAERO CO[C@H](c1noc(CC(C)(C)[NH3+])n1)C1CC1 ZINC000131250826 591578928 /nfs/dbraw/zinc/57/89/28/591578928.db2.gz AHZVEWTZCJLHRA-VIFPVBQESA-N 1 0 225.292 1.447 10 0 BDAERO CO[C@@H](c1noc([C@@H]2CCC[NH2+]2)n1)C1CC1 ZINC000131261847 591580401 /nfs/dbraw/zinc/58/04/01/591580401.db2.gz JSGNCPHDRRULAJ-DTWKUNHWSA-N 1 0 223.276 1.592 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ccc(C(F)(F)F)nn1 ZINC000132526436 591716745 /nfs/dbraw/zinc/71/67/45/591716745.db2.gz AUOXIHYOGGSQTI-ZCFIWIBFSA-N 1 0 234.225 1.279 10 0 BDAERO CC1([NH3+])CCN(c2cncc(Cl)n2)CC1 ZINC000000019869 591831324 /nfs/dbraw/zinc/83/13/24/591831324.db2.gz VYFYMUVBMZRROD-UHFFFAOYSA-N 1 0 226.711 1.448 10 0 BDAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000134255608 591906688 /nfs/dbraw/zinc/90/66/88/591906688.db2.gz PYLPVIOCCUBFMN-WYUUTHIRSA-N 1 0 240.347 1.188 10 0 BDAERO CC(C)n1cccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000121447048 591922854 /nfs/dbraw/zinc/92/28/54/591922854.db2.gz OMXMFFLQQOKIGD-LBPRGKRZSA-N 1 0 249.358 1.845 10 0 BDAERO [NH3+]C1CC(CNC(=O)C2CCC(F)(F)CC2)C1 ZINC000216590360 592055500 /nfs/dbraw/zinc/05/55/00/592055500.db2.gz ZHGBHFHSKWZPQG-UHFFFAOYSA-N 1 0 246.301 1.665 10 0 BDAERO C[NH+](C)CCCCNC(=O)N1CCCCC1 ZINC000136290132 592105158 /nfs/dbraw/zinc/10/51/58/592105158.db2.gz CAAISTUXSOKNMX-UHFFFAOYSA-N 1 0 227.352 1.524 10 0 BDAERO CC(C)(C)N1C[C@]2(CCC[NH2+]C2)OC1=O ZINC000220633229 592318675 /nfs/dbraw/zinc/31/86/75/592318675.db2.gz DHASAIQXODYKJF-LLVKDONJSA-N 1 0 212.293 1.359 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CC(C)(C)C[C@H]2C ZINC000300060633 592502554 /nfs/dbraw/zinc/50/25/54/592502554.db2.gz FXTXMTNAKOMXPE-GBIKHYSHSA-N 1 0 225.332 1.821 10 0 BDAERO CN1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC000107770317 592705400 /nfs/dbraw/zinc/70/54/00/592705400.db2.gz BAXJMHFIUNXTLR-AWEZNQCLSA-N 1 0 218.344 1.913 10 0 BDAERO C[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccncc2)no1 ZINC000092939241 634380220 /nfs/dbraw/zinc/38/02/20/634380220.db2.gz GVLBUWGDECYWQP-KOLCDFICSA-N 1 0 244.298 1.521 10 0 BDAERO CC(C)c1cc(N2CC[C@H](CC[NH3+])C2)ncn1 ZINC000125475584 634512178 /nfs/dbraw/zinc/51/21/78/634512178.db2.gz XQKBGXJTMODQBS-NSHDSACASA-N 1 0 234.347 1.775 10 0 BDAERO CC1(C)C[C@H]1c1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000225473193 635408592 /nfs/dbraw/zinc/40/85/92/635408592.db2.gz JNEOYJZWQUAOFB-YUMQZZPRSA-N 1 0 223.276 1.244 10 0 BDAERO CS[C@@H]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000225812581 635418295 /nfs/dbraw/zinc/41/82/95/635418295.db2.gz HZCOIGDHRLTYNL-GMTAPVOTSA-N 1 0 244.404 1.760 10 0 BDAERO CCCc1nc(COC2C[NH2+]C2)cs1 ZINC000062810003 635465361 /nfs/dbraw/zinc/46/53/61/635465361.db2.gz GYCZAEOCPYMNPB-UHFFFAOYSA-N 1 0 212.318 1.584 10 0 BDAERO CCCOc1ccnc(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000233252586 635527907 /nfs/dbraw/zinc/52/79/07/635527907.db2.gz FEYHAOPRBPZBEU-UWVGGRQHSA-N 1 0 236.319 1.049 10 0 BDAERO COC1CC([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000234692436 635558267 /nfs/dbraw/zinc/55/82/67/635558267.db2.gz QRKCNFOTBROWOC-OTTFEQOBSA-N 1 0 227.348 1.695 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(F)nc1 ZINC000236237092 635597686 /nfs/dbraw/zinc/59/76/86/635597686.db2.gz CJCXEHHUQWVDES-VIFPVBQESA-N 1 0 237.278 1.549 10 0 BDAERO Cc1nnc([C@@]2([NH3+])CCC[C@H](C)C2)n1C ZINC000042013716 631352973 /nfs/dbraw/zinc/35/29/73/631352973.db2.gz GXXNXZGQUSWVJD-GZMMTYOYSA-N 1 0 208.309 1.488 10 0 BDAERO C1C[NH2+][C@@H](c2nc([C@H]3CCCOC3)no2)C1 ZINC000083720214 631427557 /nfs/dbraw/zinc/42/75/57/631427557.db2.gz IWAFHGFIWLHAMI-DTWKUNHWSA-N 1 0 223.276 1.388 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000083805799 631429980 /nfs/dbraw/zinc/42/99/80/631429980.db2.gz ZJQWNSMQZZEAEY-UTLUCORTSA-N 1 0 221.304 1.735 10 0 BDAERO Cc1ccc(CCC(=O)NCC2CC([NH3+])C2)cc1 ZINC000091538846 631539817 /nfs/dbraw/zinc/53/98/17/631539817.db2.gz SMUZOSNHGIDMCA-UHFFFAOYSA-N 1 0 246.354 1.781 10 0 BDAERO Clc1cccc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000236050769 631548678 /nfs/dbraw/zinc/54/86/78/631548678.db2.gz GYAYDYYFZSRPTP-QMMMGPOBSA-N 1 0 211.696 1.899 10 0 BDAERO COC1CC([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000234685374 631659876 /nfs/dbraw/zinc/65/98/76/631659876.db2.gz QRKCNFOTBROWOC-CPCZMJQVSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1CC[C@H]1C)N1CCOCC1 ZINC000308845187 631690867 /nfs/dbraw/zinc/69/08/67/631690867.db2.gz LZNYAUSSXTXYDV-GRYCIOLGSA-N 1 0 212.337 1.095 10 0 BDAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000309103754 631879327 /nfs/dbraw/zinc/87/93/27/631879327.db2.gz GZGDVSBWBVTQHY-MXWKQRLJSA-N 1 0 205.305 1.586 10 0 BDAERO CCS[C@@H](C)c1noc(C[C@@H](C)[NH3+])n1 ZINC000309134096 631903678 /nfs/dbraw/zinc/90/36/78/631903678.db2.gz RRMSXSMBNPYBLI-RQJHMYQMSA-N 1 0 215.322 1.773 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1cnn(CCC)c1 ZINC000161391399 631998788 /nfs/dbraw/zinc/99/87/88/631998788.db2.gz HDROURGULBNWKZ-SNVBAGLBSA-N 1 0 224.308 1.359 10 0 BDAERO [NH3+]C1CC(CNC(=O)CCc2ccccc2)C1 ZINC000091526058 632052939 /nfs/dbraw/zinc/05/29/39/632052939.db2.gz JCMYRBXXODSHQW-UHFFFAOYSA-N 1 0 232.327 1.473 10 0 BDAERO CC(C)(C(=O)NCC1CC([NH3+])C1)c1ccccc1 ZINC000091526069 632053624 /nfs/dbraw/zinc/05/36/24/632053624.db2.gz IPZAJJKTTYPFPQ-UHFFFAOYSA-N 1 0 246.354 1.818 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000092052564 632088006 /nfs/dbraw/zinc/08/80/06/632088006.db2.gz XOJOFQFACWKUOL-KBPBESRZSA-N 1 0 238.375 1.653 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cc(F)ncn1 ZINC000252720579 635712036 /nfs/dbraw/zinc/71/20/36/635712036.db2.gz LECOLBNVGHTJBR-UWVGGRQHSA-N 1 0 236.294 1.289 10 0 BDAERO CCCn1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000237040512 635719516 /nfs/dbraw/zinc/71/95/16/635719516.db2.gz RIEWGBZDVNBIQV-ZJUUUORDSA-N 1 0 236.319 1.359 10 0 BDAERO Cc1ccoc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000054158783 635775699 /nfs/dbraw/zinc/77/56/99/635775699.db2.gz PSHVMBOOUSYICG-ZETCQYMHSA-N 1 0 207.233 1.700 10 0 BDAERO C[C@H](C[NH3+])c1noc(-c2cccc(F)c2)n1 ZINC000054158762 635776702 /nfs/dbraw/zinc/77/67/02/635776702.db2.gz JVRRDHZMJYIKPH-SSDOTTSWSA-N 1 0 221.235 1.938 10 0 BDAERO CCC[C@H]1C[C@H]1[NH2+]C1CCN(C=O)CC1 ZINC000309173654 632662644 /nfs/dbraw/zinc/66/26/44/632662644.db2.gz LZKQZSRVCULOAL-CMPLNLGQSA-N 1 0 210.321 1.385 10 0 BDAERO Cc1ccccc1OCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235369600 632678851 /nfs/dbraw/zinc/67/88/51/632678851.db2.gz SATVKZNACOMYHL-OLZOCXBDSA-N 1 0 234.343 1.653 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/c1cccs1 ZINC000309178319 632684526 /nfs/dbraw/zinc/68/45/26/632684526.db2.gz DQMBFDKOEWHKFA-IPFDCLDFSA-N 1 0 236.340 1.709 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000309973455 632688560 /nfs/dbraw/zinc/68/85/60/632688560.db2.gz QZTIBDSEQMHLGN-RNFRBKRXSA-N 1 0 233.233 1.963 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1[nH]nc2ccccc21 ZINC000309981678 632689078 /nfs/dbraw/zinc/68/90/78/632689078.db2.gz WIEUQTLEVMQETM-DTWKUNHWSA-N 1 0 219.288 1.422 10 0 BDAERO COCC[N@@H+]1CCN(C/C=C\Cl)C[C@@H]1C ZINC000255715995 632701643 /nfs/dbraw/zinc/70/16/43/632701643.db2.gz ZMXOVRORHSCKKZ-BYCRGOAPSA-N 1 0 232.755 1.391 10 0 BDAERO CC(=O)C1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000310311687 632718840 /nfs/dbraw/zinc/71/88/40/632718840.db2.gz DXZVJSUVNIEOCF-JSGCOSHPSA-N 1 0 239.359 1.839 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]([NH3+])CC2CC2)o1 ZINC000310478918 632744079 /nfs/dbraw/zinc/74/40/79/632744079.db2.gz CKRDQCDEEKOBTE-SCZZXKLOSA-N 1 0 237.303 1.288 10 0 BDAERO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@H]1CCCO1 ZINC000309206412 632812084 /nfs/dbraw/zinc/81/20/84/632812084.db2.gz BDYUVAMUSHMMIE-GARJFASQSA-N 1 0 229.320 1.295 10 0 BDAERO C[C@H]1CN(Cc2cccnc2Cl)C[C@@H]1[NH3+] ZINC000235673821 632812888 /nfs/dbraw/zinc/81/28/88/632812888.db2.gz DTAHWHQLCYRVLH-WPRPVWTQSA-N 1 0 225.723 1.514 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000161577968 632845629 /nfs/dbraw/zinc/84/56/29/632845629.db2.gz JUZIVBLSVGKJNH-NSHDSACASA-N 1 0 225.357 1.995 10 0 BDAERO COCc1nc(C[NH2+][C@H](C)C[C@@H](C)O)cs1 ZINC000309835412 632854672 /nfs/dbraw/zinc/85/46/72/632854672.db2.gz AUMCQPIKFGGZPD-RKDXNWHRSA-N 1 0 244.360 1.539 10 0 BDAERO C[C@@](O)(C[NH2+]CCc1ccccc1)C1CC1 ZINC000309298577 632906181 /nfs/dbraw/zinc/90/61/81/632906181.db2.gz SIRAZUSLIJTKGP-CQSZACIVSA-N 1 0 219.328 1.980 10 0 BDAERO COCCc1ccc(-c2cnn(CC[NH3+])c2)cc1 ZINC000310900417 633017727 /nfs/dbraw/zinc/01/77/27/633017727.db2.gz MQPSBFPTXLARJD-UHFFFAOYSA-N 1 0 245.326 1.698 10 0 BDAERO CCC/C(C)=C/C(=O)N1CCC[C@H]1C[NH3+] ZINC000309415238 633035163 /nfs/dbraw/zinc/03/51/63/633035163.db2.gz JDAXPRQTNPBFCN-UQSGXBNBSA-N 1 0 210.321 1.683 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2cc(C)on2)C1 ZINC000309429148 633059034 /nfs/dbraw/zinc/05/90/34/633059034.db2.gz FVUNFMYPROYKSH-BXKDBHETSA-N 1 0 223.320 1.413 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1c(C)cccc1C ZINC000166451827 633113702 /nfs/dbraw/zinc/11/37/02/633113702.db2.gz BZBJOOWDRIVBKA-RYUDHWBXSA-N 1 0 233.311 1.779 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cc(C)c1 ZINC000166505662 633115676 /nfs/dbraw/zinc/11/56/76/633115676.db2.gz FAARJVQYRQPBQR-OLZOCXBDSA-N 1 0 233.311 1.779 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)c(C)c1 ZINC000166493974 633115911 /nfs/dbraw/zinc/11/59/11/633115911.db2.gz RHSOIEZODKDQCF-WDEREUQCSA-N 1 0 237.274 1.610 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000166616128 633119138 /nfs/dbraw/zinc/11/91/38/633119138.db2.gz BBFYOXHXINVYQZ-CHWSQXEVSA-N 1 0 249.310 1.561 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1C ZINC000166615236 633119576 /nfs/dbraw/zinc/11/95/76/633119576.db2.gz GPEYFCSFEXWRCC-CHWSQXEVSA-N 1 0 233.311 1.861 10 0 BDAERO Cc1cc(-c2cnn(CCC[NH3+])c2)sn1 ZINC000311860256 633167876 /nfs/dbraw/zinc/16/78/76/633167876.db2.gz RNRXUXJEEMEZMU-UHFFFAOYSA-N 1 0 222.317 1.664 10 0 BDAERO C[C@H]1CN(CC(F)(F)C(F)F)C[C@H]1[NH3+] ZINC000306649794 635972161 /nfs/dbraw/zinc/97/21/61/635972161.db2.gz CWSDCQGDBLACMU-NTSWFWBYSA-N 1 0 214.206 1.166 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2C1 ZINC000306864498 635976474 /nfs/dbraw/zinc/97/64/74/635976474.db2.gz KNRSWSHJORYQTH-FSIOUSSQSA-N 1 0 215.724 1.832 10 0 BDAERO CC1(C)C[C@@H]1c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000232883664 636068385 /nfs/dbraw/zinc/06/83/85/636068385.db2.gz YRTACULMTFCQPQ-DTWKUNHWSA-N 1 0 237.303 1.114 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158544132 633727007 /nfs/dbraw/zinc/72/70/07/633727007.db2.gz RHHPMEDVWCEPPA-GXTWGEPZSA-N 1 0 246.354 1.815 10 0 BDAERO COCc1ccc(C[NH2+][C@H](C)[C@@H](C)O)o1 ZINC000309073708 633847733 /nfs/dbraw/zinc/84/77/33/633847733.db2.gz HVUJVZILZUOQRR-RKDXNWHRSA-N 1 0 213.277 1.285 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)/C=C\c1ccco1 ZINC000309313503 633893594 /nfs/dbraw/zinc/89/35/94/633893594.db2.gz OREKORDRKSPNOT-RDJHYZAGSA-N 1 0 220.272 1.241 10 0 BDAERO Cc1cnc([C@@H](C)[NH2+]CCC2OCCO2)o1 ZINC000309503996 633937804 /nfs/dbraw/zinc/93/78/04/633937804.db2.gz VLRGEABFQZYUPS-SECBINFHSA-N 1 0 226.276 1.397 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000395980074 633949716 /nfs/dbraw/zinc/94/97/16/633949716.db2.gz DERWQHPMHJRYJD-NXEZZACHSA-N 1 0 227.352 1.602 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccc(F)nc2)c1 ZINC000189072344 634163540 /nfs/dbraw/zinc/16/35/40/634163540.db2.gz CSEIRPSAXNUWAU-UHFFFAOYSA-N 1 0 234.278 1.515 10 0 BDAERO Fc1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)nc1 ZINC000094043582 635173347 /nfs/dbraw/zinc/17/33/47/635173347.db2.gz GSOUWZCMRQIVMF-SECBINFHSA-N 1 0 234.234 1.695 10 0 BDAERO COc1ccccc1CNC(=O)C1CC([NH3+])C1 ZINC000258641400 635179659 /nfs/dbraw/zinc/17/96/59/635179659.db2.gz FETFMLZZCPOZSI-UHFFFAOYSA-N 1 0 234.299 1.049 10 0 BDAERO Cc1ccc(OC[C@H](C)N[C@@H]2CC[NH2+]C2)cc1 ZINC000094088071 635182988 /nfs/dbraw/zinc/18/29/88/635182988.db2.gz BPIBZXNEOVSQDG-QWHCGFSZSA-N 1 0 234.343 1.714 10 0 BDAERO CC(C)(CNC(=O)C1CC([NH3+])C1)c1ccccc1 ZINC000258744658 635194618 /nfs/dbraw/zinc/19/46/18/635194618.db2.gz PKVKOWNTHKDICZ-UHFFFAOYSA-N 1 0 246.354 1.818 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cccc2nccn21 ZINC000336780535 635282719 /nfs/dbraw/zinc/28/27/19/635282719.db2.gz RPEJLQCKWHLVFL-VHSXEESVSA-N 1 0 219.288 1.193 10 0 BDAERO [NH3+]C1CC(CNc2ccc3nccnc3n2)C1 ZINC000094727618 635387026 /nfs/dbraw/zinc/38/70/26/635387026.db2.gz ZTPUVUPYRUKJML-UHFFFAOYSA-N 1 0 229.287 1.174 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000252828291 636929454 /nfs/dbraw/zinc/92/94/54/636929454.db2.gz WBEUFYCHIUTYBV-NWDGAFQWSA-N 1 0 244.404 1.192 10 0 BDAERO CCCc1nc([C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000054697469 640302845 /nfs/dbraw/zinc/30/28/45/640302845.db2.gz WLGWJYXBVPHION-SECBINFHSA-N 1 0 208.309 1.235 10 0 BDAERO Cn1nc(C2CC2)nc1C[C@@H]1CCC[NH2+]C1 ZINC000054698081 640306751 /nfs/dbraw/zinc/30/67/51/640306751.db2.gz HYFSZZBTASLFSL-VIFPVBQESA-N 1 0 220.320 1.235 10 0 BDAERO CC(C)c1nc(C2([NH3+])CCCC2)n(C)n1 ZINC000054697903 640306805 /nfs/dbraw/zinc/30/68/05/640306805.db2.gz SNYPPIHTOYUOLR-UHFFFAOYSA-N 1 0 208.309 1.667 10 0 BDAERO Cn1nc(C2CC2)nc1CCC(C)(C)[NH3+] ZINC000054698076 640306917 /nfs/dbraw/zinc/30/69/17/640306917.db2.gz CCFHVDSZRSEAKS-UHFFFAOYSA-N 1 0 208.309 1.362 10 0 BDAERO CC(C)Cc1nc(C[C@@H]2CCC[NH2+]2)n(C)n1 ZINC000054699054 640321121 /nfs/dbraw/zinc/32/11/21/640321121.db2.gz BQQZPEVTVCJCIL-JTQLQIEISA-N 1 0 222.336 1.308 10 0 BDAERO C[C@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CCS1 ZINC000164171737 640454901 /nfs/dbraw/zinc/45/49/01/640454901.db2.gz ASUADEHBLNWNIQ-WPRPVWTQSA-N 1 0 228.361 1.078 10 0 BDAERO COCc1nc(CN[C@@H]2CC[N@H+](C)C2)cs1 ZINC000164401320 640475537 /nfs/dbraw/zinc/47/55/37/640475537.db2.gz ALLFVCQBUIUABA-SECBINFHSA-N 1 0 241.360 1.083 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000349291842 640500149 /nfs/dbraw/zinc/50/01/49/640500149.db2.gz CAXUPYLDKYQILD-GHMZBOCLSA-N 1 0 245.326 1.936 10 0 BDAERO C[C@@H]1CN(c2cccc(F)n2)[C@@H](C)C[NH2+]1 ZINC000083345838 640519642 /nfs/dbraw/zinc/51/96/42/640519642.db2.gz SZGAQBGMEKHJEU-BDAKNGLRSA-N 1 0 209.268 1.407 10 0 BDAERO Cc1nc(CC[C@H]2CCCC[NH2+]2)n(C)n1 ZINC000054499131 640706699 /nfs/dbraw/zinc/70/66/99/640706699.db2.gz RVXLWEYVXKHFEO-SNVBAGLBSA-N 1 0 208.309 1.198 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2CCO[C@@H]2C)n1 ZINC000226528349 640770796 /nfs/dbraw/zinc/77/07/96/640770796.db2.gz PVLRUIPJWVORTM-BWZBUEFSSA-N 1 0 211.265 1.024 10 0 BDAERO OCCCCCC[N@@H+]1CCC[C@@H]1CCCO ZINC000226837693 640800138 /nfs/dbraw/zinc/80/01/38/640800138.db2.gz MUDHRUHDQVQQMH-CYBMUJFWSA-N 1 0 229.364 1.776 10 0 BDAERO COC(=O)[C@@H]1CCCC[N@@H+]1CCCCCCO ZINC000226835063 640800897 /nfs/dbraw/zinc/80/08/97/640800897.db2.gz IKRDKCZMANYDNN-LBPRGKRZSA-N 1 0 243.347 1.567 10 0 BDAERO C[NH+]1CCC(Nc2nc3cccnc3[nH]2)CC1 ZINC000168440334 640808145 /nfs/dbraw/zinc/80/81/45/640808145.db2.gz LWOQEAXABIQXKH-UHFFFAOYSA-N 1 0 231.303 1.464 10 0 BDAERO Cc1cnc(NC[C@@H]2CC[C@H]([NH3+])C2)nc1 ZINC000227646847 640843072 /nfs/dbraw/zinc/84/30/72/640843072.db2.gz YPBUKTQGCDVTHD-ZJUUUORDSA-N 1 0 206.293 1.324 10 0 BDAERO [NH3+][C@@H]1CC[C@H](CNc2ncnc3c2CCCC3)C1 ZINC000227648712 640843207 /nfs/dbraw/zinc/84/32/07/640843207.db2.gz LZDQVZPVIYPSIG-WDEREUQCSA-N 1 0 246.358 1.895 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1C ZINC000227825861 640850465 /nfs/dbraw/zinc/85/04/65/640850465.db2.gz SXWNOCKKHWREQI-GXSJLCMTSA-N 1 0 239.340 1.989 10 0 BDAERO C[C@@H]1OCC[C@@]1(O)C[NH2+]CCc1ccccc1 ZINC000228095184 640860085 /nfs/dbraw/zinc/86/00/85/640860085.db2.gz ZOFYQSHYKOWNGY-GXTWGEPZSA-N 1 0 235.327 1.359 10 0 BDAERO CCCOc1ccnc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000228269541 640867972 /nfs/dbraw/zinc/86/79/72/640867972.db2.gz PDMVHMBPMBNFMW-NXEZZACHSA-N 1 0 238.335 1.803 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(CC2CC2)no1 ZINC000087580433 640932341 /nfs/dbraw/zinc/93/23/41/640932341.db2.gz WBVZOXWWNAVHIX-UWVGGRQHSA-N 1 0 221.304 1.865 10 0 BDAERO CCn1ccnc1C[NH2+]C1CC(OC)C1 ZINC000230689423 641087762 /nfs/dbraw/zinc/08/77/62/641087762.db2.gz ITAVGKMYSNXGOY-UHFFFAOYSA-N 1 0 209.293 1.170 10 0 BDAERO CO[C@H](c1noc([C@@H]2CC[C@H]([NH3+])C2)n1)C1CC1 ZINC000230927095 641114424 /nfs/dbraw/zinc/11/44/24/641114424.db2.gz QXGSHRGOPJRBNK-UTLUCORTSA-N 1 0 237.303 1.762 10 0 BDAERO CN(C)[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000234261949 641159729 /nfs/dbraw/zinc/15/97/29/641159729.db2.gz PEBFMOJGKFTGBC-LBPRGKRZSA-N 1 0 214.353 1.175 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)CCCCC[NH3+])o1 ZINC000231743795 641199714 /nfs/dbraw/zinc/19/97/14/641199714.db2.gz NCBXUXCQUJIWOZ-JTQLQIEISA-N 1 0 239.319 1.679 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCCF)C[C@H]1C ZINC000088026778 641257050 /nfs/dbraw/zinc/25/70/50/641257050.db2.gz CPMFACHJTWWRRE-BDAKNGLRSA-N 1 0 203.257 1.087 10 0 BDAERO CC(C)(CO)[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC000232517416 641295191 /nfs/dbraw/zinc/29/51/91/641295191.db2.gz IPISQFGLPDAWKI-GFCCVEGCSA-N 1 0 248.326 1.300 10 0 BDAERO COC(=O)[C@H](C[NH3+])[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000675073805 641323508 /nfs/dbraw/zinc/32/35/08/641323508.db2.gz UJARCAWHVGXYON-LMLFDSFASA-N 1 0 213.321 1.807 10 0 BDAERO CC/C=C(/C)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740695 641534235 /nfs/dbraw/zinc/53/42/35/641534235.db2.gz WAQUNLDKDPOJFG-FMRNMKQDSA-N 1 0 222.332 1.742 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1sccc1Cl ZINC000044255024 641593746 /nfs/dbraw/zinc/59/37/46/641593746.db2.gz MGJYFNHSDWWYFH-YFKPBYRVSA-N 1 0 204.682 1.277 10 0 BDAERO COc1cc([C@@H]([NH3+])CCO)ccc1Cl ZINC000095638815 641598624 /nfs/dbraw/zinc/59/86/24/641598624.db2.gz PURUHMYQQXCBFC-VIFPVBQESA-N 1 0 215.680 1.731 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ccncn2)no1 ZINC000156311685 641605058 /nfs/dbraw/zinc/60/50/58/641605058.db2.gz DRGJMRLMGJZKSM-IUCAKERBSA-N 1 0 245.286 1.369 10 0 BDAERO [NH3+]C1CCC(C(=O)NCCC2CCC2)CC1 ZINC000157680973 641621933 /nfs/dbraw/zinc/62/19/33/641621933.db2.gz KXFVXUGYPVKIKI-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO CCOCCCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089386752 641675590 /nfs/dbraw/zinc/67/55/90/641675590.db2.gz HGVWOJYHOZXXOK-NWDGAFQWSA-N 1 0 242.363 1.294 10 0 BDAERO CCOCCCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089386749 641675897 /nfs/dbraw/zinc/67/58/97/641675897.db2.gz HGVWOJYHOZXXOK-VXGBXAGGSA-N 1 0 242.363 1.294 10 0 BDAERO Clc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000250080327 641753017 /nfs/dbraw/zinc/75/30/17/641753017.db2.gz ICDFBOGSTOCDSP-VIFPVBQESA-N 1 0 238.722 1.414 10 0 BDAERO Cc1cnccc1CCn1cc[nH+]c1N ZINC000702556585 641853847 /nfs/dbraw/zinc/85/38/47/641853847.db2.gz QYKDNLDCTRODOC-UHFFFAOYSA-N 1 0 202.261 1.411 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C1COC(C)(C)OC1 ZINC000324497103 641876357 /nfs/dbraw/zinc/87/63/57/641876357.db2.gz NABSLMQQGGFCDE-JTQLQIEISA-N 1 0 231.336 1.135 10 0 BDAERO CCONC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000154533560 642127367 /nfs/dbraw/zinc/12/73/67/642127367.db2.gz OFADSAXUSLPKBB-SNVBAGLBSA-N 1 0 231.340 1.213 10 0 BDAERO OCC[C@@H]1CC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000253362586 642640467 /nfs/dbraw/zinc/64/04/67/642640467.db2.gz GZBVDTUQIJVZBK-ZFWWWQNUSA-N 1 0 249.354 1.814 10 0 BDAERO CC[C@@H]1CCCC[C@]1(C[NH3+])OCCO ZINC000233907968 642710391 /nfs/dbraw/zinc/71/03/91/642710391.db2.gz DEITVGQDQAQLQD-GHMZBOCLSA-N 1 0 201.310 1.293 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000237546792 642715297 /nfs/dbraw/zinc/71/52/97/642715297.db2.gz XVZBHLNHUZNBLA-LLVKDONJSA-N 1 0 234.343 1.719 10 0 BDAERO C[NH2+][C@@H](C)CNc1cncc(Cl)n1 ZINC000306370530 642741058 /nfs/dbraw/zinc/74/10/58/642741058.db2.gz DQPOMVBZLGBEPH-LURJTMIESA-N 1 0 200.673 1.150 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2CCCS2)n1 ZINC000070004928 642949820 /nfs/dbraw/zinc/94/98/20/642949820.db2.gz XNOPCQXCTSSYFJ-ZETCQYMHSA-N 1 0 213.306 1.400 10 0 BDAERO c1cc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)co1 ZINC000070414144 643023746 /nfs/dbraw/zinc/02/37/46/643023746.db2.gz APCJJJOYYCJRLG-VIFPVBQESA-N 1 0 233.271 1.872 10 0 BDAERO CCN(c1ncnc2ccsc21)[C@H]1CC[NH2+]C1 ZINC000071314437 643123925 /nfs/dbraw/zinc/12/39/25/643123925.db2.gz KUFSCBMQTKLWPO-VIFPVBQESA-N 1 0 248.355 1.880 10 0 BDAERO CCN(c1cc(C(C)C)ncn1)[C@H]1CC[NH2+]C1 ZINC000071314133 643125723 /nfs/dbraw/zinc/12/57/23/643125723.db2.gz HEUNOWRPGVUJEE-NSHDSACASA-N 1 0 234.347 1.788 10 0 BDAERO C[C@H]1COC[C@H](C)[NH+]1CCCCCCO ZINC000175774621 643280131 /nfs/dbraw/zinc/28/01/31/643280131.db2.gz ZIAAOTQCPASZFA-RYUDHWBXSA-N 1 0 215.337 1.648 10 0 BDAERO C1CC1[C@@H]1CC[NH2+][C@]2(CN3CCC2CC3)O1 ZINC000757142146 643302251 /nfs/dbraw/zinc/30/22/51/643302251.db2.gz CTGGMFOSMBHPDO-QWHCGFSZSA-N 1 0 222.332 1.197 10 0 BDAERO C1CC1[C@H]1CC[NH2+][C@@]2(CN3CCC2CC3)O1 ZINC000757142084 643302315 /nfs/dbraw/zinc/30/23/15/643302315.db2.gz CTGGMFOSMBHPDO-OLZOCXBDSA-N 1 0 222.332 1.197 10 0 BDAERO CC[C@@H](C)c1noc(C[C@@H]([NH3+])C2CC2)n1 ZINC000082563176 643342932 /nfs/dbraw/zinc/34/29/32/643342932.db2.gz WMJKETWWYFZRTL-VXNVDRBHSA-N 1 0 209.293 1.863 10 0 BDAERO [NH3+]C[C@@H]1CCN1CCCOC1CCCC1 ZINC000757152232 643343416 /nfs/dbraw/zinc/34/34/16/643343416.db2.gz ZKBVTAJVUUCEBC-NSHDSACASA-N 1 0 212.337 1.369 10 0 BDAERO CC[C@H](C)c1noc(C[C@@H]([NH3+])C2CC2)n1 ZINC000082563177 643343673 /nfs/dbraw/zinc/34/36/73/643343673.db2.gz WMJKETWWYFZRTL-IONNQARKSA-N 1 0 209.293 1.863 10 0 BDAERO C[C@H]1CC(C)(C)O[C@@]2(CCSC2)[NH2+]1 ZINC000757154189 643346245 /nfs/dbraw/zinc/34/62/45/643346245.db2.gz ZHVNRLHDTJMBED-WCBMZHEXSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ncnc2sccc21 ZINC000082592691 643351359 /nfs/dbraw/zinc/35/13/59/643351359.db2.gz PBPZHMKQMCGDPY-ZETCQYMHSA-N 1 0 222.317 1.475 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000082644731 643361313 /nfs/dbraw/zinc/36/13/13/643361313.db2.gz STCMUQBNAQBYFW-GFCCVEGCSA-N 1 0 221.304 1.184 10 0 BDAERO COC(=O)/C=C1/CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000757190711 643362927 /nfs/dbraw/zinc/36/29/27/643362927.db2.gz CAKOPLABVIJFIH-DOSOYNOZSA-N 1 0 209.289 1.638 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ncc(Br)cn1 ZINC000082663575 643363663 /nfs/dbraw/zinc/36/36/63/643363663.db2.gz FNPLNPJYVKIKGD-LURJTMIESA-N 1 0 245.124 1.023 10 0 BDAERO C/C=C/C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699499 643369170 /nfs/dbraw/zinc/36/91/70/643369170.db2.gz PVERZGXCEVNWRJ-UTSBZEJYSA-N 1 0 208.305 1.258 10 0 BDAERO C[C@@H]1N[C@H](c2ccc(C=O)s2)CC[C@H]1[NH3+] ZINC000757211494 643370999 /nfs/dbraw/zinc/37/09/99/643370999.db2.gz HQMAJQIKZJGOFL-SFGNSQDASA-N 1 0 224.329 1.701 10 0 BDAERO CC[C@H]1Oc2cc(OC)cc(OC)c2[C@H]1[NH3+] ZINC000082760073 643376806 /nfs/dbraw/zinc/37/68/06/643376806.db2.gz QSKYEFBCKHRIKJ-PELKAZGASA-N 1 0 223.272 1.875 10 0 BDAERO CC[C@H]1Oc2cc(OC)cc(OC)c2[C@@H]1[NH3+] ZINC000082760075 643377544 /nfs/dbraw/zinc/37/75/44/643377544.db2.gz QSKYEFBCKHRIKJ-PRHODGIISA-N 1 0 223.272 1.875 10 0 BDAERO CC[C@@H]1Oc2cc(OC)cc(OC)c2[C@@H]1[NH3+] ZINC000082760076 643377827 /nfs/dbraw/zinc/37/78/27/643377827.db2.gz QSKYEFBCKHRIKJ-QPUJVOFHSA-N 1 0 223.272 1.875 10 0 BDAERO C[C@@H]1CN2C(=[NH+]1)N[C@H](C)C[C@@H]2C(F)(F)F ZINC000235395479 643388840 /nfs/dbraw/zinc/38/88/40/643388840.db2.gz SKUIIIJHGXSXJR-FSDSQADBSA-N 1 0 221.226 1.359 10 0 BDAERO c1ncc(-c2noc([C@H]3CCC[NH2+]3)n2)s1 ZINC000083037652 643403685 /nfs/dbraw/zinc/40/36/85/643403685.db2.gz ROFFGWPVEMJPQA-ZCFIWIBFSA-N 1 0 222.273 1.618 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1nc(Br)c[nH]1 ZINC000307560047 643503454 /nfs/dbraw/zinc/50/34/54/643503454.db2.gz HBESPTMKQQGYNW-RITPCOANSA-N 1 0 230.109 1.670 10 0 BDAERO COC(=O)[C@](C)([NH3+])C[C@H](C)n1ccnc1C ZINC000082800190 643526541 /nfs/dbraw/zinc/52/65/41/643526541.db2.gz KCEQRNYKPKXIKU-GZMMTYOYSA-N 1 0 225.292 1.033 10 0 BDAERO Cc1ccc2c(nn3c2NCC[C@@H]3C[NH3+])n1 ZINC000235995166 643561322 /nfs/dbraw/zinc/56/13/22/643561322.db2.gz XIEFYVFYIRBZBQ-MRVPVSSYSA-N 1 0 217.276 1.055 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@@H](OC)CC2 ZINC000086119300 643629960 /nfs/dbraw/zinc/62/99/60/643629960.db2.gz GLKZLMXELQFUOC-NWDGAFQWSA-N 1 0 207.273 1.656 10 0 BDAERO Cc1cc(C)c2c(c1)[C@@H](C[NH3+])CC(=O)N2 ZINC000083985375 643637871 /nfs/dbraw/zinc/63/78/71/643637871.db2.gz RABDCPJNEKFXPF-SECBINFHSA-N 1 0 204.273 1.688 10 0 BDAERO CCc1cccc2c1NC(=O)C[C@@H]2C[NH3+] ZINC000083985393 643637920 /nfs/dbraw/zinc/63/79/20/643637920.db2.gz YJFZSALGKLXOQG-SECBINFHSA-N 1 0 204.273 1.634 10 0 BDAERO CCN(CC)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301096 643657655 /nfs/dbraw/zinc/65/76/55/643657655.db2.gz XGNSBYILFZMLAZ-MNOVXSKESA-N 1 0 212.337 1.620 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000084301002 643657661 /nfs/dbraw/zinc/65/76/61/643657661.db2.gz HCDUWILHJYLZGX-MNOVXSKESA-N 1 0 210.321 1.374 10 0 BDAERO CCCc1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084305502 643658346 /nfs/dbraw/zinc/65/83/46/643658346.db2.gz YNEYDTHSGLRHNS-BDAKNGLRSA-N 1 0 209.293 1.865 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000084300994 643658412 /nfs/dbraw/zinc/65/84/12/643658412.db2.gz HCDUWILHJYLZGX-QWRGUYRKSA-N 1 0 210.321 1.374 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2nccs2)C1 ZINC000085008839 643679419 /nfs/dbraw/zinc/67/94/19/643679419.db2.gz BMWKZBNRXKOFGJ-BQBZGAKWSA-N 1 0 211.290 1.209 10 0 BDAERO CN1CCO[C@@H](C[NH2+]CC2(C)CCCC2)C1 ZINC000086005524 643882047 /nfs/dbraw/zinc/88/20/47/643882047.db2.gz VDSNJGATQKTCJJ-LBPRGKRZSA-N 1 0 226.364 1.487 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ncc(Cl)cc1F ZINC000086712324 644165291 /nfs/dbraw/zinc/16/52/91/644165291.db2.gz SUINTAHWHWSIIM-ZCFIWIBFSA-N 1 0 217.675 1.658 10 0 BDAERO CCN(c1ccncc1Cl)[C@@H]1CC[NH2+]C1 ZINC000086839900 644186393 /nfs/dbraw/zinc/18/63/93/644186393.db2.gz QESXYQOUBDJKIB-SECBINFHSA-N 1 0 225.723 1.923 10 0 BDAERO c1nc(-c2noc([C@H]3CCC[NH2+]3)n2)cs1 ZINC000083307279 644403710 /nfs/dbraw/zinc/40/37/10/644403710.db2.gz SGBDMYCEGMOHIK-ZCFIWIBFSA-N 1 0 222.273 1.618 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)Nc2c(Cl)cccc21 ZINC000083987809 644414651 /nfs/dbraw/zinc/41/46/51/644414651.db2.gz SSIGJAGQQQGSIV-LURJTMIESA-N 1 0 210.664 1.725 10 0 BDAERO C[NH2+]CCc1noc(-c2cscc2C)n1 ZINC000086816880 644471101 /nfs/dbraw/zinc/47/11/01/644471101.db2.gz NAHPFIMYTMMXFW-UHFFFAOYSA-N 1 0 223.301 1.868 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](C)OC ZINC000245430439 644524930 /nfs/dbraw/zinc/52/49/30/644524930.db2.gz LSZVWGATMAAODD-RYUDHWBXSA-N 1 0 242.363 1.354 10 0 BDAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cncnc1)CC2 ZINC000245796722 644542857 /nfs/dbraw/zinc/54/28/57/644542857.db2.gz XCILCZOZSOWWOM-UONOGXRCSA-N 1 0 247.342 1.604 10 0 BDAERO Cn1ccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089390239 644548951 /nfs/dbraw/zinc/54/89/51/644548951.db2.gz XSVAOSXMAWKVHC-UWVGGRQHSA-N 1 0 236.319 1.124 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NOCc1ccccc1 ZINC000089482209 644552456 /nfs/dbraw/zinc/55/24/56/644552456.db2.gz OLRZJKFRVUNMGN-STQMWFEESA-N 1 0 248.326 1.609 10 0 BDAERO C[C@H](O)C[N@@H+]1CCN(C/C=C/Cl)C[C@@H]1C ZINC000246309872 644581032 /nfs/dbraw/zinc/58/10/32/644581032.db2.gz AHGURURQEXMHEZ-SEUFLZDSSA-N 1 0 232.755 1.126 10 0 BDAERO CCn1ccnc1Cn1cc(C[NH2+]C(C)C)nn1 ZINC000090297510 644587865 /nfs/dbraw/zinc/58/78/65/644587865.db2.gz QAWLYNRYLHQBFA-UHFFFAOYSA-N 1 0 248.334 1.041 10 0 BDAERO CCCCCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247086362 644620734 /nfs/dbraw/zinc/62/07/34/644620734.db2.gz UBOYKMHHXIZUQG-KBPBESRZSA-N 1 0 242.407 1.954 10 0 BDAERO [NH3+]C1CC(CNc2cnc3ccccc3n2)C1 ZINC000091537938 644629811 /nfs/dbraw/zinc/62/98/11/644629811.db2.gz FREBTHUNXHVZOA-UHFFFAOYSA-N 1 0 228.299 1.779 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCOC(C)C)C[C@@H]1C ZINC000094996594 644733878 /nfs/dbraw/zinc/73/38/78/644733878.db2.gz IODOJYFEYVVPGQ-QWRGUYRKSA-N 1 0 229.320 1.152 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CC2CCOCC2)C[C@H]1C ZINC000094996351 644735115 /nfs/dbraw/zinc/73/51/15/644735115.db2.gz FTMSLVJGUYJPRO-PWSUYJOCSA-N 1 0 241.331 1.154 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cccnc1Cl ZINC000095638379 644759358 /nfs/dbraw/zinc/75/93/58/644759358.db2.gz LDBYJPXNSIBVCB-ZETCQYMHSA-N 1 0 214.652 1.298 10 0 BDAERO [NH3+][C@@H](CCO)c1cc(F)cc(Br)c1 ZINC000095638756 644760079 /nfs/dbraw/zinc/76/00/79/644760079.db2.gz HITKMUZOWOVZKU-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc(F)ccc1[N+](=O)[O-] ZINC000095638444 644762227 /nfs/dbraw/zinc/76/22/27/644762227.db2.gz BYLAQBYYAAKPRJ-QMMMGPOBSA-N 1 0 242.206 1.297 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000251932685 644831186 /nfs/dbraw/zinc/83/11/86/644831186.db2.gz RNHQUVBTRCPPRJ-GARJFASQSA-N 1 0 212.337 1.666 10 0 BDAERO C[C@@H]1CCCN(C[C@H]2CCCO2)[C@H]1C[NH3+] ZINC000252182331 644841037 /nfs/dbraw/zinc/84/10/37/644841037.db2.gz QFXCZVOIJBCJQU-UTUOFQBUSA-N 1 0 212.337 1.225 10 0 BDAERO [NH3+][C@@H]1CC[C@H](c2nc(Cc3ccncc3)no2)C1 ZINC000097068183 644868710 /nfs/dbraw/zinc/86/87/10/644868710.db2.gz OTJJGWQTLSZWJO-WDEREUQCSA-N 1 0 244.298 1.650 10 0 BDAERO CO[C@@H]1CCC[C@@H]1[NH2+]CCn1cc(C)cn1 ZINC000304309549 644890234 /nfs/dbraw/zinc/89/02/34/644890234.db2.gz ASZVDJYATJFALU-NWDGAFQWSA-N 1 0 223.320 1.349 10 0 BDAERO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ncc[nH]1 ZINC000252979008 644928408 /nfs/dbraw/zinc/92/84/08/644928408.db2.gz FTUXYXPVEUPIQI-LPEHRKFASA-N 1 0 208.309 1.188 10 0 BDAERO C[C@H]1CN(c2cncc(Cl)n2)CC[C@H]1[NH3+] ZINC000253173904 644941100 /nfs/dbraw/zinc/94/11/00/644941100.db2.gz MECBOUNOZYRFPU-JGVFFNPUSA-N 1 0 226.711 1.304 10 0 BDAERO Cc1cn(C)nc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000723995911 711552194 /nfs/dbraw/zinc/55/21/94/711552194.db2.gz DHGGIUQMFHRHHK-GFCCVEGCSA-N 1 0 237.347 1.465 10 0 BDAERO C[C@@H](C[NH3+])c1noc(Cc2cccnc2)n1 ZINC000721371948 711647436 /nfs/dbraw/zinc/64/74/36/711647436.db2.gz XBUZQDKREZZNAA-QMMMGPOBSA-N 1 0 218.260 1.118 10 0 BDAERO C[C@H]1CCC(=O)CN1CC[C@H]1CCCO1 ZINC000725643619 711668499 /nfs/dbraw/zinc/66/84/99/711668499.db2.gz ARAISQUTDRUAMK-CMPLNLGQSA-N 1 0 211.305 1.609 10 0 BDAERO Cc1ccccc1NC(=O)C1CC([NH3+])C1 ZINC000258718864 711740974 /nfs/dbraw/zinc/74/09/74/711740974.db2.gz LNZCSTFJWYQQBF-UHFFFAOYSA-N 1 0 204.273 1.671 10 0 BDAERO FC(F)(F)[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+]C2)O1 ZINC000722387910 711753198 /nfs/dbraw/zinc/75/31/98/711753198.db2.gz ALWRZFJJRVBIBG-HLTSFMKQSA-N 1 0 238.253 1.048 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC000307258978 711773913 /nfs/dbraw/zinc/77/39/13/711773913.db2.gz CCQUKHYRDPUAHH-QFKPWTNMSA-N 1 0 237.130 1.562 10 0 BDAERO COC[C@H](C[N@@H+]1C[C@@H](C)C[C@H](O)C1)C(C)C ZINC000721974328 711854865 /nfs/dbraw/zinc/85/48/65/711854865.db2.gz XJNWSMTVUFBULJ-AVGNSLFASA-N 1 0 229.364 1.608 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccnc1Cl ZINC000700608351 712001339 /nfs/dbraw/zinc/00/13/39/712001339.db2.gz GCZNKNHOYLIGMK-IONNQARKSA-N 1 0 239.706 1.297 10 0 BDAERO CSC(C)(C)CC[NH2+][C@H]1CCOC[C@H]1O ZINC000706733001 712153391 /nfs/dbraw/zinc/15/33/91/712153391.db2.gz FZGXCXVWPNOBAH-VHSXEESVSA-N 1 0 233.377 1.258 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000708384905 712191709 /nfs/dbraw/zinc/19/17/09/712191709.db2.gz DIZUQBUAZUPLIU-VIFPVBQESA-N 1 0 201.310 1.162 10 0 BDAERO C[C@H]1CN(Cc2ccc(Cl)nc2)C[C@@H]1C[NH3+] ZINC000708894600 712202539 /nfs/dbraw/zinc/20/25/39/712202539.db2.gz YJDUCVNCKDMTSX-ONGXEEELSA-N 1 0 239.750 1.762 10 0 BDAERO COC1CC(C[N@@H+]2CCCCC[C@H](N)C2)C1 ZINC000708993527 712205132 /nfs/dbraw/zinc/20/51/32/712205132.db2.gz RUJYKVYJDDIFBB-CPCZMJQVSA-N 1 0 226.364 1.615 10 0 BDAERO COC1CC([NH2+][C@@H](C)c2cn(C)cn2)C1 ZINC000709992290 712238278 /nfs/dbraw/zinc/23/82/78/712238278.db2.gz LVGXSUGKNXBOTJ-IDKOKCKLSA-N 1 0 209.293 1.248 10 0 BDAERO C[NH2+]CCc1noc(C23CCC(CC2)C3)n1 ZINC000711045619 712276726 /nfs/dbraw/zinc/27/67/26/712276726.db2.gz STMWCZDPWHQTSU-UHFFFAOYSA-N 1 0 221.304 1.663 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711382916 712296228 /nfs/dbraw/zinc/29/62/28/712296228.db2.gz SCQKFVMPXFHLCR-GMTAPVOTSA-N 1 0 224.348 1.537 10 0 BDAERO CC(C)(C)Cc1noc([C@]2(C)C[NH2+]CCO2)n1 ZINC000711532426 712309919 /nfs/dbraw/zinc/30/99/19/712309919.db2.gz AZANDPNXIBWQIS-LBPRGKRZSA-N 1 0 239.319 1.493 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000712072663 712340602 /nfs/dbraw/zinc/34/06/02/712340602.db2.gz FLHJQSUKOWSIGH-MIMYLULJSA-N 1 0 210.321 1.147 10 0 BDAERO CCC[C@H](C)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378741534 712359728 /nfs/dbraw/zinc/35/97/28/712359728.db2.gz PJBZNSTYDDCOPY-DCAQKATOSA-N 1 0 202.317 1.794 10 0 BDAERO C[C@H]([NH2+]Cc1cnn(C)c1Cl)[C@@H]1CCCO1 ZINC000378862285 712363977 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227.348 1.648 10 0 BDAERO COc1cccnc1N[C@@H]1C[NH2+]CC1(C)C ZINC000721935962 711940733 /nfs/dbraw/zinc/94/07/33/711940733.db2.gz VQVUZAMKCKWZAZ-SNVBAGLBSA-N 1 0 221.304 1.500 10 0 BDAERO CN1CCOC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000700246376 711989006 /nfs/dbraw/zinc/98/90/06/711989006.db2.gz XRSDQEMEZSZQAB-AWEZNQCLSA-N 1 0 234.343 1.149 10 0 BDAERO C(c1noc([C@@H]2C[NH2+]CCOC2)n1)C1CCC1 ZINC000700379445 711990359 /nfs/dbraw/zinc/99/03/59/711990359.db2.gz AEUJTQKZDOAMHC-SNVBAGLBSA-N 1 0 237.303 1.116 10 0 BDAERO C[C@H]([NH3+])CCNC(=O)/C=C\c1ccccc1F ZINC000700750820 712004369 /nfs/dbraw/zinc/00/43/69/712004369.db2.gz XWEVFYFFSXXOMH-GFVADAIESA-N 1 0 236.290 1.692 10 0 BDAERO [NH3+][C@H]1CCCN(C(=O)/C=C\c2ccccc2F)C1 ZINC000700750800 712004577 /nfs/dbraw/zinc/00/45/77/712004577.db2.gz XUVZFTNJDLZRAD-KRZKBDHCSA-N 1 0 248.301 1.789 10 0 BDAERO Cc1ncc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)o1 ZINC000700846467 712008181 /nfs/dbraw/zinc/00/81/81/712008181.db2.gz XNVVYPORFAPKMN-QJPTWQEYSA-N 1 0 236.315 1.576 10 0 BDAERO [NH3+]Cc1ccc2c(c1)N(C[C@H]1CCCO1)CCO2 ZINC000700848517 712008575 /nfs/dbraw/zinc/00/85/75/712008575.db2.gz ADDLXBILVKHWIQ-GFCCVEGCSA-N 1 0 248.326 1.523 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1cccnc1 ZINC000701053589 712013514 /nfs/dbraw/zinc/01/35/14/712013514.db2.gz HKBNHXLBBZZLGV-JSIVBPPZSA-N 1 0 245.326 1.338 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccnc1F ZINC000701094256 712014854 /nfs/dbraw/zinc/01/48/54/712014854.db2.gz MBKFPPNJJUCNFU-WPRPVWTQSA-N 1 0 237.278 1.078 10 0 BDAERO O=C(Nc1ccc(F)nc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000702010457 712036814 /nfs/dbraw/zinc/03/68/14/712036814.db2.gz WYIWMGOMUZVZAX-ZANVPECISA-N 1 0 249.289 1.549 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1cncc(Cl)n1 ZINC000702676273 712059519 /nfs/dbraw/zinc/05/95/19/712059519.db2.gz PFPNHRALEACXFI-RQJHMYQMSA-N 1 0 212.684 1.056 10 0 BDAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc([C@@H]3CC34CC4)no2)C1 ZINC000702750504 712060380 /nfs/dbraw/zinc/06/03/80/712060380.db2.gz 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CCC[C@@H](C)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378741535 712359863 /nfs/dbraw/zinc/35/98/63/712359863.db2.gz PJBZNSTYDDCOPY-VWYCJHECSA-N 1 0 202.317 1.794 10 0 BDAERO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]1CO ZINC000378762149 712361297 /nfs/dbraw/zinc/36/12/97/712361297.db2.gz BICCSMCHOFWTHP-XHVZSJERSA-N 1 0 223.291 1.727 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000378903569 712366673 /nfs/dbraw/zinc/36/66/73/712366673.db2.gz JCSAUKVTKWTDEX-FQUUOJAGSA-N 1 0 248.370 1.786 10 0 BDAERO CC[C@H]([NH2+]CCS(C)(=O)=O)C(C)(C)C ZINC000379577260 712388972 /nfs/dbraw/zinc/38/89/72/712388972.db2.gz QFLWNPYTEARVEB-VIFPVBQESA-N 1 0 221.366 1.445 10 0 BDAERO Cc1ccnc(NC[C@@H]2CC[C@H]([NH3+])C2)c1C#N ZINC000379759831 712398003 /nfs/dbraw/zinc/39/80/03/712398003.db2.gz CXKPUFWRTWMJFH-MNOVXSKESA-N 1 0 230.315 1.801 10 0 BDAERO CCN1CC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000712580659 712433742 /nfs/dbraw/zinc/43/37/42/712433742.db2.gz IYBGYDXZHOCVTQ-FDYHWXHSSA-N 1 0 238.375 1.484 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)CC(F)(F)C(F)(F)F ZINC000713253501 712456711 /nfs/dbraw/zinc/45/67/11/712456711.db2.gz CHEHQDLCAVOFNQ-YFKPBYRVSA-N 1 0 248.195 1.298 10 0 BDAERO C[C@H]1C[N@H+](CCCOC(F)(F)F)C[C@H]1C[NH3+] ZINC000713414778 712459115 /nfs/dbraw/zinc/45/91/15/712459115.db2.gz HPSFGCGKQXFYRB-DTWKUNHWSA-N 1 0 240.269 1.440 10 0 BDAERO Cc1cccc(C)c1NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713786894 712472303 /nfs/dbraw/zinc/47/23/03/712472303.db2.gz XSYCATSOELVYGO-RYUDHWBXSA-N 1 0 248.326 1.606 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](C(=O)Nc2cccc(F)c2)CO1 ZINC000713804478 712472940 /nfs/dbraw/zinc/47/29/40/712472940.db2.gz INSZMVSNZLCUGV-KWQFWETISA-N 1 0 238.262 1.128 10 0 BDAERO CN(C(=O)[C@@H]1CO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000713823730 712472979 /nfs/dbraw/zinc/47/29/79/712472979.db2.gz VNPHRHXSLQBLJJ-JQWIXIFHSA-N 1 0 240.347 1.141 10 0 BDAERO COCC1CC([NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000713926318 712473203 /nfs/dbraw/zinc/47/32/03/712473203.db2.gz 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1 0 213.321 1.569 10 0 BDAERO COCC1CC([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000714006397 712476874 /nfs/dbraw/zinc/47/68/74/712476874.db2.gz KTPNIFUSHUDCAK-UZEXVOJHSA-N 1 0 213.321 1.426 10 0 BDAERO COCC1CC(NC(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000713994994 712477092 /nfs/dbraw/zinc/47/70/92/712477092.db2.gz CXFROVUTBYHQOE-MCIGGMRASA-N 1 0 242.363 1.291 10 0 BDAERO CC(C)(O)C[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000714373001 712484414 /nfs/dbraw/zinc/48/44/14/712484414.db2.gz RHLOXKXXKMVRMD-SNVBAGLBSA-N 1 0 215.337 1.695 10 0 BDAERO CCC1([NH3+])CCN(c2cc(C)nc(C)n2)CC1 ZINC000714751909 712497232 /nfs/dbraw/zinc/49/72/32/712497232.db2.gz JVHMJOQGVDHVFL-UHFFFAOYSA-N 1 0 234.347 1.801 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccccc2Cl)C1 ZINC000715091034 712508122 /nfs/dbraw/zinc/50/81/22/712508122.db2.gz FHFWFKBFQAIXJY-UHFFFAOYSA-N 1 0 238.718 1.807 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ncccc2Cl)C1 ZINC000715096237 712508466 /nfs/dbraw/zinc/50/84/66/712508466.db2.gz LJQHRNAFTCEPMT-OCAPTIKFSA-N 1 0 211.696 1.884 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ccncc2Cl)C1 ZINC000715096169 712508494 /nfs/dbraw/zinc/50/84/94/712508494.db2.gz KMSMNJGGDYXNHL-OCAPTIKFSA-N 1 0 211.696 1.306 10 0 BDAERO [NH3+]C1CC(CNc2nc3ccccc3[nH]2)C1 ZINC000715113163 712509870 /nfs/dbraw/zinc/50/98/70/712509870.db2.gz BNUWJBGLTVETCL-UHFFFAOYSA-N 1 0 216.288 1.712 10 0 BDAERO CC(C)c1nsc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715123508 712511116 /nfs/dbraw/zinc/51/11/16/712511116.db2.gz SKICFJCKMJQPAP-OCAPTIKFSA-N 1 0 226.349 1.811 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715516237 712525009 /nfs/dbraw/zinc/52/50/09/712525009.db2.gz VPKQTKDBLKVFFU-BBBLOLIVSA-N 1 0 244.285 1.242 10 0 BDAERO CCOC1CC([NH2+][C@H](C)c2cn(C)nn2)C1 ZINC000715882955 712539849 /nfs/dbraw/zinc/53/98/49/712539849.db2.gz LMSMEDGCERUOOY-XNWIYYODSA-N 1 0 224.308 1.033 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCSCC1)c1cn(C)nn1 ZINC000715939417 712544290 /nfs/dbraw/zinc/54/42/90/712544290.db2.gz ZFZZIQUVXGNJPO-UWVGGRQHSA-N 1 0 240.376 1.751 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCCS1 ZINC000716046895 712548615 /nfs/dbraw/zinc/54/86/15/712548615.db2.gz XINRJCRIKQQQNR-VHSXEESVSA-N 1 0 230.377 1.516 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000716468151 712563279 /nfs/dbraw/zinc/56/32/79/712563279.db2.gz XYJYBMMLGKOAPB-VWBGDHHKSA-N 1 0 248.370 1.474 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2[nH]nc(C)c2C)C1 ZINC000716675502 712569335 /nfs/dbraw/zinc/56/93/35/712569335.db2.gz AZMFCBRWUUNFJG-LLVKDONJSA-N 1 0 222.336 1.210 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCCC23CCC3)C1 ZINC000716683871 712569995 /nfs/dbraw/zinc/56/99/95/712569995.db2.gz KXXBWXVJXVRBKC-ILDUYXDCSA-N 1 0 222.332 1.563 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000716717730 712570710 /nfs/dbraw/zinc/57/07/10/712570710.db2.gz SHCFSIPAJPLRNJ-FIYWTHMPSA-N 1 0 236.359 1.809 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)C1CCCC1 ZINC000716740195 712571628 /nfs/dbraw/zinc/57/16/28/712571628.db2.gz HVHUJZZAODPLPM-MFAVDMRSSA-N 1 0 210.321 1.419 10 0 BDAERO C[C@@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716759709 712572567 /nfs/dbraw/zinc/57/25/67/712572567.db2.gz IXJLRBSRNFUCAF-QTAHKJALSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cccc(O)c1 ZINC000716782905 712573169 /nfs/dbraw/zinc/57/31/69/712573169.db2.gz JTFJPJSZGNEDRS-PUSIOWJLSA-N 1 0 234.299 1.307 10 0 BDAERO Cc1ccc(C[NH2+]C2CC(C(N)=O)C2)c(C)c1 ZINC000716774749 712573305 /nfs/dbraw/zinc/57/33/05/712573305.db2.gz IBVOOSKMVSWOFR-UHFFFAOYSA-N 1 0 232.327 1.657 10 0 BDAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716775077 712573336 /nfs/dbraw/zinc/57/33/36/712573336.db2.gz MVIKLUUBNBWJJN-WXRRBKDZSA-N 1 0 232.327 1.991 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000716789910 712573517 /nfs/dbraw/zinc/57/35/17/712573517.db2.gz NUTVCSVMCFAVME-MCIGGMRASA-N 1 0 236.359 1.953 10 0 BDAERO Cc1nsc(NC[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000717014672 712604592 /nfs/dbraw/zinc/60/45/92/712604592.db2.gz QTLGXHKOSYRAOW-SSDOTTSWSA-N 1 0 248.302 1.503 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CC(C)(C)CO1 ZINC000717091504 712630056 /nfs/dbraw/zinc/63/00/56/712630056.db2.gz LTVBUBULQHXMMD-MXWKQRLJSA-N 1 0 240.347 1.140 10 0 BDAERO CCCCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000379957614 712636508 /nfs/dbraw/zinc/63/65/08/712636508.db2.gz VWVPJPFVSMKXGU-WDEREUQCSA-N 1 0 212.337 1.823 10 0 BDAERO CC1(C)CO[C@@H](CCN[C@H]2CC[NH2+]C2)C1 ZINC000717158256 712638135 /nfs/dbraw/zinc/63/81/35/712638135.db2.gz JHIRCGRENMAIAQ-QWRGUYRKSA-N 1 0 212.337 1.143 10 0 BDAERO C[C@H]1COC[C@H](C)N1C(=O)CC[NH2+]CC1CC1 ZINC000717250612 712641403 /nfs/dbraw/zinc/64/14/03/712641403.db2.gz KVJCAJAHBDBQFK-QWRGUYRKSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1cccc([C@H](C)[NH2+]C[C@H](O)[C@H](C)O)c1 ZINC000717307368 712646339 /nfs/dbraw/zinc/64/63/39/712646339.db2.gz LIEUNAOCROWYOW-GVXVVHGQSA-N 1 0 223.316 1.387 10 0 BDAERO CC1(C)CO[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000717645041 712663341 /nfs/dbraw/zinc/66/33/41/712663341.db2.gz UPMOEQNDDAGFMB-VWYCJHECSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@@H](CN1CCCC1=O)[NH2+]CCc1ccccc1 ZINC000037782291 712756597 /nfs/dbraw/zinc/75/65/97/712756597.db2.gz PSAKNYIDOGPZAC-ZDUSSCGKSA-N 1 0 246.354 1.830 10 0 BDAERO C[C@@H]1CO[C@H](C(=O)N(C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000718527890 712770695 /nfs/dbraw/zinc/77/06/95/712770695.db2.gz DNRWKTKZIKTQIA-TUAOUCFPSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1C[NH2+]CCN1c1ccnc2ncccc21 ZINC000718920434 712788029 /nfs/dbraw/zinc/78/80/29/712788029.db2.gz ICTWLSUWCQAIDO-SNVBAGLBSA-N 1 0 228.299 1.428 10 0 BDAERO C[C@H]1CN(c2ccnc3ncccc23)C[C@@H]1[NH3+] ZINC000718928824 712789809 /nfs/dbraw/zinc/78/98/09/712789809.db2.gz DGWBCYXIIMYEHO-ONGXEEELSA-N 1 0 228.299 1.413 10 0 BDAERO C[NH2+][C@H]1CCCN(c2ccnc3ncccc32)C1 ZINC000718981852 712791248 /nfs/dbraw/zinc/79/12/48/712791248.db2.gz NGXKSIWOKAXEFA-NSHDSACASA-N 1 0 242.326 1.818 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccnc2ncccc12 ZINC000718984793 712791567 /nfs/dbraw/zinc/79/15/67/712791567.db2.gz DRJGILVCZHEEJN-VHSXEESVSA-N 1 0 228.299 1.556 10 0 BDAERO c1cnc2nccc(N[C@H]3CC[NH2+]C3)c2c1 ZINC000718983580 712791725 /nfs/dbraw/zinc/79/17/25/712791725.db2.gz BDECDEUOPVBEET-VIFPVBQESA-N 1 0 214.272 1.404 10 0 BDAERO C[NH2+][C@@H](C)CNc1ccnc2ncccc12 ZINC000718988052 712792069 /nfs/dbraw/zinc/79/20/69/712792069.db2.gz XVXJMXDLORZLNO-VIFPVBQESA-N 1 0 216.288 1.650 10 0 BDAERO OCC[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC000719837435 712823849 /nfs/dbraw/zinc/82/38/49/712823849.db2.gz BULXWLFBLBJFGW-SNVBAGLBSA-N 1 0 226.345 1.390 10 0 BDAERO COC(C)(C)[C@H](C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000720184420 712828645 /nfs/dbraw/zinc/82/86/45/712828645.db2.gz LCKUGVBOUZSUOY-QWRGUYRKSA-N 1 0 247.379 1.566 10 0 BDAERO Cc1conc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000720352955 712833078 /nfs/dbraw/zinc/83/30/78/712833078.db2.gz RLVAVCNCLISEOK-GXSJLCMTSA-N 1 0 210.277 1.640 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720418732 712841136 /nfs/dbraw/zinc/84/11/36/712841136.db2.gz 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/nfs/dbraw/zinc/85/91/12/712859112.db2.gz WVMBNKDFUAMZGU-SECBINFHSA-N 1 0 231.303 1.368 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720862921 712871556 /nfs/dbraw/zinc/87/15/56/712871556.db2.gz WMRNARSIOCXCMR-ZDEQEGDKSA-N 1 0 241.375 1.941 10 0 BDAERO C[NH2+]C[C@@H](C)c1noc(C2CC(F)(F)C2)n1 ZINC000721033124 712887850 /nfs/dbraw/zinc/88/78/50/712887850.db2.gz VJVSFDHOIJJOTB-ZCFIWIBFSA-N 1 0 231.246 1.905 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccccn1 ZINC000721062459 712889724 /nfs/dbraw/zinc/88/97/24/712889724.db2.gz OMSMTXKQJBJLIY-GHMZBOCLSA-N 1 0 205.305 1.739 10 0 BDAERO c1cnc(NC[C@H]2Cc3ccccc3C[NH2+]2)nc1 ZINC000721088879 712890540 /nfs/dbraw/zinc/89/05/40/712890540.db2.gz IWORONYHXOEBRK-CYBMUJFWSA-N 1 0 240.310 1.603 10 0 BDAERO CC[C@@H](C)c1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000721151007 712893011 /nfs/dbraw/zinc/89/30/11/712893011.db2.gz XBARUTLJRZNBRG-IMSYWVGJSA-N 1 0 221.304 1.906 10 0 BDAERO C[NH2+]C[C@@H]1CCC[N@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000396041493 972848983 /nfs/dbraw/zinc/84/89/83/972848983.db2.gz RXSKKYPKXWOVCB-NSHDSACASA-N 1 0 242.363 1.419 10 0 BDAERO C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000396444086 951477403 /nfs/dbraw/zinc/47/74/03/951477403.db2.gz ARDAYICFZZFLHN-NXEZZACHSA-N 1 0 228.336 1.027 10 0 BDAERO CC[C@H](C(=O)[O-])[NH+]1CCC([NH+](CC)CC)CC1 ZINC000384455320 971927912 /nfs/dbraw/zinc/92/79/12/971927912.db2.gz JAOOQTUBNIYVNY-GFCCVEGCSA-N 1 0 242.363 1.656 10 0 BDAERO CC[C@@H](C(=O)[O-])[NH+]1CCC([NH+](CC)CC)CC1 ZINC000384455321 971928045 /nfs/dbraw/zinc/92/80/45/971928045.db2.gz JAOOQTUBNIYVNY-LBPRGKRZSA-N 1 0 242.363 1.656 10 0 BDAERO C[NH+](C)C1CC([NH2+]C2CCC(C(=O)[O-])CC2)C1 ZINC000701478013 954883943 /nfs/dbraw/zinc/88/39/43/954883943.db2.gz FORBWIGJCBTHOU-UHFFFAOYSA-N 1 0 240.347 1.312 10 0 BDAERO C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1C(=O)[O-] ZINC000692659348 976532563 /nfs/dbraw/zinc/53/25/63/976532563.db2.gz KWGMKNWEYVPRPC-IJLUTSLNSA-N 1 0 240.347 1.123 10 0 BDAERO C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](C(=O)[O-])C(C)(C)C ZINC000693908786 976658392 /nfs/dbraw/zinc/65/83/92/976658392.db2.gz SCVDISCKTDQGDU-QWRGUYRKSA-N 1 0 242.363 1.560 10 0 BDAERO [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000723712471 978216375 /nfs/dbraw/zinc/21/63/75/978216375.db2.gz HEOGYLMSGRGWNV-SECBINFHSA-N 1 0 238.287 1.149 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000685954162 538899209 /nfs/dbraw/zinc/89/92/09/538899209.db2.gz LPHOYZILLHSROT-IVZWLZJFSA-N 1 0 219.350 1.185 10 0 BDAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)CC)C[C@H]1C ZINC000685954512 538899373 /nfs/dbraw/zinc/89/93/73/538899373.db2.gz NQYBBZZTRYQLHX-OUAUKWLOSA-N 1 0 233.377 1.588 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000685954944 538900105 /nfs/dbraw/zinc/90/01/05/538900105.db2.gz QQMMVXJLLATARM-GMTAPVOTSA-N 1 0 233.377 1.573 10 0 BDAERO CCC[N@@H+]1CCC(=O)[C@]12CCCOCC2 ZINC000685955088 538900134 /nfs/dbraw/zinc/90/01/34/538900134.db2.gz SNVVRBSZYIYYBZ-GFCCVEGCSA-N 1 0 211.305 1.611 10 0 BDAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)C(C)C)C[C@@H]1C ZINC000685955422 538901467 /nfs/dbraw/zinc/90/14/67/538901467.db2.gz ZGSVNOKGSQEDTP-SDDRHHMPSA-N 1 0 247.404 1.976 10 0 BDAERO C[C@H]1CCN1CC(F)(F)CNC1CC1 ZINC000685957598 538905088 /nfs/dbraw/zinc/90/50/88/538905088.db2.gz CIWLYUFFBXYFJD-QMMMGPOBSA-N 1 0 204.264 1.468 10 0 BDAERO Cc1cc(C)n(CCC[NH2+]C2CCCC2)c(=O)n1 ZINC000053500100 177926934 /nfs/dbraw/zinc/92/69/34/177926934.db2.gz SQPDRKSNIBASRV-UHFFFAOYSA-N 1 0 249.358 1.782 10 0 BDAERO CC(C)[NH2+]CC[C@H](CO)[C@@H]1CCOC1 ZINC000685960857 538907832 /nfs/dbraw/zinc/90/78/32/538907832.db2.gz FTWGLJQTCOIHJO-GHMZBOCLSA-N 1 0 201.310 1.020 10 0 BDAERO CCC(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685961749 538908377 /nfs/dbraw/zinc/90/83/77/538908377.db2.gz NTFCGJNWWKFEEC-GWCFXTLKSA-N 1 0 221.300 1.898 10 0 BDAERO CC[C@@H](C)[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000685963309 538909861 /nfs/dbraw/zinc/90/98/61/538909861.db2.gz LRTMNBJISRLQCB-YPMHNXCESA-N 1 0 229.364 1.800 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@@H]([NH3+])C[C@H]1C ZINC000685953057 538896692 /nfs/dbraw/zinc/89/66/92/538896692.db2.gz FVRWAOLJHSYNTA-OPRDCNLKSA-N 1 0 219.350 1.326 10 0 BDAERO CC[NH2+][C@@H]1CC[C@H](S(C)(=O)=O)C[C@@H]1C ZINC000685952718 538896917 /nfs/dbraw/zinc/89/69/17/538896917.db2.gz CNDNTJQIBXNMSX-LPEHRKFASA-N 1 0 219.350 1.198 10 0 BDAERO CCC(CC)(CC)CNC(=O)[C@@H]1COCCN1 ZINC000236625146 168314976 /nfs/dbraw/zinc/31/49/76/168314976.db2.gz YRALUJPYQQXYIL-NSHDSACASA-N 1 0 242.363 1.307 10 0 BDAERO C/C(=C\Cl)C[NH2+]C1COCCOC1 ZINC000307366429 398139348 /nfs/dbraw/zinc/13/93/48/398139348.db2.gz KQPJNWPFOGERLR-XBXARRHUSA-N 1 0 205.685 1.134 10 0 BDAERO CCC(C)(C)[NH2+]CC[C@@H](CO)[C@@H]1CCOC1 ZINC000685963874 538910715 /nfs/dbraw/zinc/91/07/15/538910715.db2.gz YXTSIKZCCSTIOU-NWDGAFQWSA-N 1 0 229.364 1.800 10 0 BDAERO Nc1cn([C@@H]2CCOC3(CCC3)C2)cn1 ZINC000685964167 538910928 /nfs/dbraw/zinc/91/09/28/538910928.db2.gz DKARBSVLTCZBDY-SECBINFHSA-N 1 0 207.277 1.740 10 0 BDAERO C=C(OCC)c1c(C[NH2+]C(C)C)cnn1C ZINC000685965220 538911638 /nfs/dbraw/zinc/91/16/38/538911638.db2.gz UNKFVRQEPXEOIB-UHFFFAOYSA-N 1 0 223.320 1.925 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@@H]1c1cc(F)ccc1F ZINC000685965402 538911857 /nfs/dbraw/zinc/91/18/57/538911857.db2.gz CJUIBUKMBRNWRS-KOLCDFICSA-N 1 0 212.243 1.369 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000685965715 538912247 /nfs/dbraw/zinc/91/22/47/538912247.db2.gz PVSUGRKRGOEANZ-MNOVXSKESA-N 1 0 210.708 1.744 10 0 BDAERO CCc1cccc([C@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965721 538912269 /nfs/dbraw/zinc/91/22/69/538912269.db2.gz QADZDZMSSONZEY-OLZOCXBDSA-N 1 0 204.317 1.653 10 0 BDAERO CCC(CC)(C[NH3+])N1C[C@H](C)O[C@@H](C)C1 ZINC000019427231 168323086 /nfs/dbraw/zinc/32/30/86/168323086.db2.gz FYWFOHBVTJAGJA-QWRGUYRKSA-N 1 0 214.353 1.613 10 0 BDAERO CCC(CC)(CO)NC(=O)C[NH2+]C1CCCC1 ZINC000053072223 168327770 /nfs/dbraw/zinc/32/77/70/168327770.db2.gz KAQSGOQXYCCCKR-UHFFFAOYSA-N 1 0 242.363 1.186 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH3+])C[C@H]1F ZINC000306273173 398146292 /nfs/dbraw/zinc/14/62/92/398146292.db2.gz ZOZMDUIUTNXPHS-BWZBUEFSSA-N 1 0 218.272 1.339 10 0 BDAERO Cc1cc(C[NH3+])nc(COc2ccccc2)n1 ZINC000020383607 177984125 /nfs/dbraw/zinc/98/41/25/177984125.db2.gz NDQVINXULDGXQS-UHFFFAOYSA-N 1 0 229.283 1.823 10 0 BDAERO CCC[C@H](C[NH3+])[C@H](O)c1nccs1 ZINC000161785366 538918689 /nfs/dbraw/zinc/91/86/89/538918689.db2.gz RGZRIUJYDLPBPL-SFYZADRCSA-N 1 0 200.307 1.552 10 0 BDAERO CSC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158818854 136214054 /nfs/dbraw/zinc/21/40/54/136214054.db2.gz NLTPNOMEHQWQJL-IVZWLZJFSA-N 1 0 230.377 1.229 10 0 BDAERO c1cnc(CCN2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000390302353 398168249 /nfs/dbraw/zinc/16/82/49/398168249.db2.gz LGDMVZCBFNVUSS-CQSZACIVSA-N 1 0 246.358 1.189 10 0 BDAERO Cc1cc(C[NH2+]C[C@H]2CN(C)CCO2)c(C)[nH]1 ZINC000098113865 178025251 /nfs/dbraw/zinc/02/52/51/178025251.db2.gz DGWCUWZWVLJEOX-ZDUSSCGKSA-N 1 0 237.347 1.052 10 0 BDAERO CC1(C)C[N@@H+]([C@@H]2CCCC2=O)CCCO1 ZINC000306675298 398169253 /nfs/dbraw/zinc/16/92/53/398169253.db2.gz SEHJMUUNUAGSTN-SNVBAGLBSA-N 1 0 211.305 1.609 10 0 BDAERO CC1CC(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000390459384 398172907 /nfs/dbraw/zinc/17/29/07/398172907.db2.gz FEPVMVATRKYSND-TVUZUIDESA-N 1 0 210.321 1.419 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2CO)nn1C ZINC000362013281 178039486 /nfs/dbraw/zinc/03/94/86/178039486.db2.gz JCIXKCMMGBOIOV-YPMHNXCESA-N 1 0 237.347 1.369 10 0 BDAERO C[C@]1([C@H]2CCC[NH2+]C2)NCCCS1 ZINC000575517201 398174792 /nfs/dbraw/zinc/17/47/92/398174792.db2.gz IKQVZBDQKBOORL-UWVGGRQHSA-N 1 0 200.351 1.429 10 0 BDAERO Cc1cc(COC2CCC([NH3+])CC2)on1 ZINC000055142819 178047155 /nfs/dbraw/zinc/04/71/55/178047155.db2.gz XQRRNGNVYHMQRA-UHFFFAOYSA-N 1 0 210.277 1.770 10 0 BDAERO Cc1cc(C[C@@H](C)[NH3+])nc(C(C)(C)C)n1 ZINC000054835024 178053076 /nfs/dbraw/zinc/05/30/76/178053076.db2.gz GFRHYTZQRFJKEW-MRVPVSSYSA-N 1 0 207.321 1.972 10 0 BDAERO COC[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)C(C)C ZINC000380052360 398182406 /nfs/dbraw/zinc/18/24/06/398182406.db2.gz VVVGPOOHMYOXCF-VXGBXAGGSA-N 1 0 242.363 1.306 10 0 BDAERO CSC1(C[NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000308517315 398160451 /nfs/dbraw/zinc/16/04/51/398160451.db2.gz FUTFYVXRKIVAEE-NXEZZACHSA-N 1 0 215.362 1.633 10 0 BDAERO Cc1cc(Cl)cn2cc(CC[NH3+])nc12 ZINC000082693623 178070692 /nfs/dbraw/zinc/07/06/92/178070692.db2.gz LUCAUCZBPUHRGN-UHFFFAOYSA-N 1 0 209.680 1.797 10 0 BDAERO Cc1cc(Cl)nc(N2CCC[C@H]2C[NH3+])n1 ZINC000095068915 178071459 /nfs/dbraw/zinc/07/14/59/178071459.db2.gz BTSLJHXXSZRJGN-QMMMGPOBSA-N 1 0 226.711 1.366 10 0 BDAERO Cc1cc(Cl)nc(N(C)C[C@H]2CCC[NH2+]2)n1 ZINC000095070919 178071869 /nfs/dbraw/zinc/07/18/69/178071869.db2.gz LPTKLGJWVFZOQL-SECBINFHSA-N 1 0 240.738 1.627 10 0 BDAERO Cc1cc(Cl)nc(N(C)C[C@@H]2CCC[NH2+]2)n1 ZINC000095070918 178071894 /nfs/dbraw/zinc/07/18/94/178071894.db2.gz LPTKLGJWVFZOQL-VIFPVBQESA-N 1 0 240.738 1.627 10 0 BDAERO Cc1cc(Cl)nc(OC[C@H]2CCC[NH2+]2)n1 ZINC000095068948 178071900 /nfs/dbraw/zinc/07/19/00/178071900.db2.gz CUSIJIURFIJCPY-MRVPVSSYSA-N 1 0 227.695 1.569 10 0 BDAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1c(Br)nnn1C ZINC000307439307 398167124 /nfs/dbraw/zinc/16/71/24/398167124.db2.gz NFQCMVMWLMMFEM-KVQBGUIXSA-N 1 0 245.124 1.028 10 0 BDAERO Cc1cc(F)c([C@@H](N)C[NH3+])c(F)c1F ZINC000072200630 178075805 /nfs/dbraw/zinc/07/58/05/178075805.db2.gz DACUFXSBXPQRNJ-LURJTMIESA-N 1 0 204.195 1.371 10 0 BDAERO COCC[NH+](CCOC)C[C@H]1CCC[C@H](O)C1 ZINC000380110060 398187452 /nfs/dbraw/zinc/18/74/52/398187452.db2.gz ZIGCCQZHQKTPLH-STQMWFEESA-N 1 0 245.363 1.132 10 0 BDAERO Cc1cc(C)c2c(c1)[C@H](NC(=O)C[NH3+])CCO2 ZINC000083883900 398187979 /nfs/dbraw/zinc/18/79/79/398187979.db2.gz IOPWFTOKSDUWFA-LLVKDONJSA-N 1 0 234.299 1.202 10 0 BDAERO Cc1cc(F)ccc1N1CCC[NH2+]CC1 ZINC000042325577 178088875 /nfs/dbraw/zinc/08/88/75/178088875.db2.gz PIKVJMLLZDFRON-UHFFFAOYSA-N 1 0 208.280 1.934 10 0 BDAERO Cc1cc(F)ccc1[C@H]([NH3+])c1cnccn1 ZINC000055222694 178092411 /nfs/dbraw/zinc/09/24/11/178092411.db2.gz DVKAPNUTVDEJQX-LBPRGKRZSA-N 1 0 217.247 1.972 10 0 BDAERO C[C@]1(CO)CCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000309156556 136217776 /nfs/dbraw/zinc/21/77/76/136217776.db2.gz XPDNTABPAGDKND-GHMZBOCLSA-N 1 0 213.321 1.042 10 0 BDAERO Cc1cc(N)ccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062964370 178104856 /nfs/dbraw/zinc/10/48/56/178104856.db2.gz AWFKXGIIJBLEJH-GFCCVEGCSA-N 1 0 247.342 1.353 10 0 BDAERO Cc1cc(N)ccc1NC(=O)[C@@H](C)[NH+](C)C ZINC000022171688 178105333 /nfs/dbraw/zinc/10/53/33/178105333.db2.gz RDWFZZBXEPJIQG-SECBINFHSA-N 1 0 221.304 1.466 10 0 BDAERO CO[C@H](C)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000182099775 136218923 /nfs/dbraw/zinc/21/89/23/136218923.db2.gz RFWPDKJOLNLOQB-LLVKDONJSA-N 1 0 212.337 1.191 10 0 BDAERO Cc1cc(NC(=O)C2([NH3+])CCCC2)ccn1 ZINC000237688482 178125299 /nfs/dbraw/zinc/12/52/99/178125299.db2.gz YWCYKPGQZMCZEI-UHFFFAOYSA-N 1 0 219.288 1.600 10 0 BDAERO CCOC1CC([NH2+][C@H]2CCC[C@@H](O)C2)C1 ZINC000162783076 538924713 /nfs/dbraw/zinc/92/47/13/538924713.db2.gz HOHRTGAPOFOEGX-UZEXVOJHSA-N 1 0 213.321 1.447 10 0 BDAERO Nc1cc[nH+]c(N[C@H]2CCSC2)c1N ZINC000306485707 398203951 /nfs/dbraw/zinc/20/39/51/398203951.db2.gz HNCRWZRXJSXTBN-LURJTMIESA-N 1 0 210.306 1.163 10 0 BDAERO [NH3+]Cc1cc(F)cc(CN2CCOCC2)c1 ZINC000162813192 538924844 /nfs/dbraw/zinc/92/48/44/538924844.db2.gz RHGZLDNLRNAOEU-UHFFFAOYSA-N 1 0 224.279 1.117 10 0 BDAERO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN1C ZINC000386364424 398206128 /nfs/dbraw/zinc/20/61/28/398206128.db2.gz WYTORFWYATUXLL-IHRRRGAJSA-N 1 0 240.391 1.706 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000386684746 398215989 /nfs/dbraw/zinc/21/59/89/398215989.db2.gz YBRRUDJNTWZLST-KBPBESRZSA-N 1 0 240.391 1.611 10 0 BDAERO Cc1cc(NCC(C)(C)[NH+](C)C)nnc1C ZINC000134867561 178155981 /nfs/dbraw/zinc/15/59/81/178155981.db2.gz DAAKRQXLXGIYIQ-UHFFFAOYSA-N 1 0 222.336 1.846 10 0 BDAERO Cc1ocnc1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000306564380 398210925 /nfs/dbraw/zinc/21/09/25/398210925.db2.gz QKARXOMGJIBKFH-OIBJUYFYSA-N 1 0 212.318 1.824 10 0 BDAERO CN1CCC[C@H]1C[NH2+]C1(CO)CCCCC1 ZINC000386513971 398211163 /nfs/dbraw/zinc/21/11/63/398211163.db2.gz CJCKNSAEYZAOBC-LBPRGKRZSA-N 1 0 226.364 1.365 10 0 BDAERO CCC[C@@]1([NH2+]C[C@@H]2CCCN2C)CCOC1 ZINC000386532997 398211827 /nfs/dbraw/zinc/21/18/27/398211827.db2.gz GPSXODWORLTVKP-QWHCGFSZSA-N 1 0 226.364 1.629 10 0 BDAERO Cc1cc(N[C@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000073734849 178188442 /nfs/dbraw/zinc/18/84/42/178188442.db2.gz NKQFWYCQLRDVCV-QMMMGPOBSA-N 1 0 226.711 1.602 10 0 BDAERO Cc1cc(N[C@H]2CCC[N@@H+](C)C2)ncn1 ZINC000040727460 178188845 /nfs/dbraw/zinc/18/88/45/178188845.db2.gz OJTOPLSSDFEUSA-JTQLQIEISA-N 1 0 206.293 1.291 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(CC(F)F)C1CC1 ZINC000386938783 398223419 /nfs/dbraw/zinc/22/34/19/398223419.db2.gz PDXWBZWRLVIAED-VIFPVBQESA-N 1 0 234.290 1.616 10 0 BDAERO CCC[C@H](C[NH3+])[C@H](O)CCSCC ZINC000164113663 538931248 /nfs/dbraw/zinc/93/12/48/538931248.db2.gz KEJPRYMXDNMBAL-NXEZZACHSA-N 1 0 205.367 1.866 10 0 BDAERO Cc1cc(=O)[nH]c(SC[C@H]2CCCC[NH2+]2)n1 ZINC000043495181 178202800 /nfs/dbraw/zinc/20/28/00/178202800.db2.gz NQVXBXSTRGFUIL-SECBINFHSA-N 1 0 239.344 1.725 10 0 BDAERO C[NH2+]C[C@H](C)N1CCSCC[C@H]1C ZINC000306641086 361750311 /nfs/dbraw/zinc/75/03/11/361750311.db2.gz PZYYIHMONDYMBE-ZJUUUORDSA-N 1 0 202.367 1.422 10 0 BDAERO Cc1cc(O[C@@H]2CC[NH2+]C2)nc(C(C)C)n1 ZINC000051868073 178213233 /nfs/dbraw/zinc/21/32/33/178213233.db2.gz WMIOKCHKIVVDBH-SNVBAGLBSA-N 1 0 221.304 1.649 10 0 BDAERO Cc1cc(Sc2nncn2C)ccc1CC[NH3+] ZINC000104296224 178219323 /nfs/dbraw/zinc/21/93/23/178219323.db2.gz SLPVRFGVNGKBRE-UHFFFAOYSA-N 1 0 248.355 1.776 10 0 BDAERO Cc1cc(S[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000052311686 178219455 /nfs/dbraw/zinc/21/94/55/178219455.db2.gz IDFGXWSZYYJHGX-VIFPVBQESA-N 1 0 211.334 1.573 10 0 BDAERO Cc1cc([C@@H](C)N2CC[NH2+]CC2)c(C)o1 ZINC000038086734 178221557 /nfs/dbraw/zinc/22/15/57/178221557.db2.gz QUDKIWAZGKCDAU-SNVBAGLBSA-N 1 0 208.305 1.863 10 0 BDAERO C[C@@](O)(C[C@@H]1CCC[NH2+]1)c1ccsn1 ZINC000306643443 361781012 /nfs/dbraw/zinc/78/10/12/361781012.db2.gz WRHNHVGOYFWLIN-WCBMZHEXSA-N 1 0 212.318 1.493 10 0 BDAERO Cc1cc([C@@H](N)C[NH3+])ccc1Br ZINC000072201220 178236339 /nfs/dbraw/zinc/23/63/39/178236339.db2.gz LIAPTMOWUWQWNN-VIFPVBQESA-N 1 0 229.121 1.716 10 0 BDAERO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000165241834 538935371 /nfs/dbraw/zinc/93/53/71/538935371.db2.gz SPSSCESVILPWMS-MCIONIFRSA-N 1 0 240.391 1.875 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccnn1-c1ccccc1 ZINC000229470108 538939603 /nfs/dbraw/zinc/93/96/03/538939603.db2.gz GLUINWQWSKQYKA-GFCCVEGCSA-N 1 0 217.272 1.125 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CSC1(C)C ZINC000393846975 343992191 /nfs/dbraw/zinc/99/21/91/343992191.db2.gz GNYWKMXKEYLRIA-IUCAKERBSA-N 1 0 217.378 1.877 10 0 BDAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)C1CC1 ZINC000165550022 136227208 /nfs/dbraw/zinc/22/72/08/136227208.db2.gz IQTSDHCODBIZOL-LDYMZIIASA-N 1 0 220.320 1.810 10 0 BDAERO Cc1ccc(CN[C@@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000400507110 398241315 /nfs/dbraw/zinc/24/13/15/398241315.db2.gz DPVFFJWEYWTLIX-WDEREUQCSA-N 1 0 208.305 1.676 10 0 BDAERO CC[C@@H]([NH2+][C@H](C)Cn1cncn1)C(C)C ZINC000167079110 538940047 /nfs/dbraw/zinc/94/00/47/538940047.db2.gz MJEAQTKRTSJMAN-GHMZBOCLSA-N 1 0 210.325 1.691 10 0 BDAERO CCSCC[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000366749658 398248960 /nfs/dbraw/zinc/24/89/60/398248960.db2.gz ZZVJGWZHWPEADZ-LLVKDONJSA-N 1 0 239.388 1.788 10 0 BDAERO Cc1cc2nc(C[NH3+])cn2cc1Br ZINC000036243590 178301716 /nfs/dbraw/zinc/30/17/16/178301716.db2.gz FEXYYNKSYJTRMN-UHFFFAOYSA-N 1 0 240.104 1.864 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCO)CC2)[C@H]1C ZINC000381045488 398252270 /nfs/dbraw/zinc/25/22/70/398252270.db2.gz DCXPWKYKDLBHHM-NTZNESFSSA-N 1 0 226.364 1.077 10 0 BDAERO Cc1ccc(-c2nc([C@@H](C)C[NH3+])no2)o1 ZINC000054158867 178335766 /nfs/dbraw/zinc/33/57/66/178335766.db2.gz BUNGEUMUPNSROB-LURJTMIESA-N 1 0 207.233 1.700 10 0 BDAERO Cc1ccc(-n2cc(C[NH3+])nn2)c(C)c1 ZINC000050224121 178346501 /nfs/dbraw/zinc/34/65/01/178346501.db2.gz DLLVXQZZEJSCBN-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO Cc1ccc(-n2ccnc2N2CC[NH2+]CC2)cc1 ZINC000011920170 178347244 /nfs/dbraw/zinc/34/72/44/178347244.db2.gz WKCHMZRKOJXSJZ-UHFFFAOYSA-N 1 0 242.326 1.590 10 0 BDAERO CCC(CC)[N@H+](C)CCn1cc(N)ccc1=O ZINC000036788528 168369405 /nfs/dbraw/zinc/36/94/05/168369405.db2.gz GQMFSFFKLHHTFM-UHFFFAOYSA-N 1 0 237.347 1.551 10 0 BDAERO COC[C@]1(C)CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000381528903 398261954 /nfs/dbraw/zinc/26/19/54/398261954.db2.gz ZXGLHRUZMZUHFM-MGPQQGTHSA-N 1 0 241.375 1.896 10 0 BDAERO CCC[C@H](C[NH2+][C@@H]1CCCN(CC)C1)OC ZINC000386006074 398263073 /nfs/dbraw/zinc/26/30/73/398263073.db2.gz LPQUKBBERZZFPP-CHWSQXEVSA-N 1 0 228.380 1.875 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2O)ccn1 ZINC000391142340 398265862 /nfs/dbraw/zinc/26/58/62/398265862.db2.gz RUJYFWDZDMVJML-QWHCGFSZSA-N 1 0 220.316 1.783 10 0 BDAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1C[C@H]1CO ZINC000378744220 346821283 /nfs/dbraw/zinc/82/12/83/346821283.db2.gz QNBFWFDNRIRTTH-JFGNBEQYSA-N 1 0 209.289 1.571 10 0 BDAERO CC(C)(C)[C@H]([NH3+])CNC(=O)NC1CCCC1 ZINC000324737527 538951271 /nfs/dbraw/zinc/95/12/71/538951271.db2.gz LBSOYQJCPAOIMK-SNVBAGLBSA-N 1 0 227.352 1.602 10 0 BDAERO Cc1ccc(C(=O)N(CC[NH3+])C(C)C)c(C)n1 ZINC000055329960 178382240 /nfs/dbraw/zinc/38/22/40/178382240.db2.gz GXNHZFWOKORWAF-UHFFFAOYSA-N 1 0 235.331 1.508 10 0 BDAERO CCC(CC)[N@H+](CCO)Cc1cccnc1N ZINC000052729110 168373605 /nfs/dbraw/zinc/37/36/05/168373605.db2.gz VBUWFWZCZNDVSZ-UHFFFAOYSA-N 1 0 237.347 1.647 10 0 BDAERO CCC(CC)[C@@H]([NH3+])CNC(=O)NC(C)C ZINC000230629331 538950474 /nfs/dbraw/zinc/95/04/74/538950474.db2.gz FRPQZOJBGCWCEL-JTQLQIEISA-N 1 0 215.341 1.458 10 0 BDAERO CC[C@]1([NH2+]C[C@H]2CCCN2C)CCOC1 ZINC000386519732 398265193 /nfs/dbraw/zinc/26/51/93/398265193.db2.gz DMCXYYNGUBXGAY-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO Cc1ccc(C(=O)COC2CC[NH2+]CC2)cc1 ZINC000077252373 178373579 /nfs/dbraw/zinc/37/35/79/178373579.db2.gz YQMAKAJGMQEKPY-UHFFFAOYSA-N 1 0 233.311 1.946 10 0 BDAERO CCC(CC)N(CCOC)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037812349 168374211 /nfs/dbraw/zinc/37/42/11/168374211.db2.gz WQNQNQHXXXLUAJ-LBPRGKRZSA-N 1 0 242.363 1.402 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1N ZINC000062964177 178396946 /nfs/dbraw/zinc/39/69/46/178396946.db2.gz FLNFAYZBLBWHPB-LBPRGKRZSA-N 1 0 247.342 1.353 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@H]1CCCOC1 ZINC000378808799 346837213 /nfs/dbraw/zinc/83/72/13/346837213.db2.gz YOQLPMXAOUFIGQ-WISYIIOYSA-N 1 0 213.321 1.569 10 0 BDAERO CSC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000602579819 349608276 /nfs/dbraw/zinc/60/82/76/349608276.db2.gz HPGHCIDOQOOTGE-WCBMZHEXSA-N 1 0 246.351 1.040 10 0 BDAERO C[NH+](C)C[C@H](c1ccccc1)n1cc(N)cn1 ZINC000144174963 342704780 /nfs/dbraw/zinc/70/47/80/342704780.db2.gz DISXFMHVSDCXRS-CYBMUJFWSA-N 1 0 230.315 1.616 10 0 BDAERO CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H]1C[NH3+] ZINC000104317024 168382422 /nfs/dbraw/zinc/38/24/22/168382422.db2.gz NNJJAKOKUSGDRT-CMPLNLGQSA-N 1 0 241.379 1.103 10 0 BDAERO O[C@@]1(Cc2coc(Br)c2)CC[NH2+]C1 ZINC000306656451 361864921 /nfs/dbraw/zinc/86/49/21/361864921.db2.gz HDEMISHRRGNTJT-SECBINFHSA-N 1 0 246.104 1.309 10 0 BDAERO [NH3+]CCc1ccnc(-c2ccsc2)n1 ZINC000054833717 398283544 /nfs/dbraw/zinc/28/35/44/398283544.db2.gz ZFHMNVCWDKMFIW-UHFFFAOYSA-N 1 0 205.286 1.706 10 0 BDAERO C[C@@H](N[C@@H](C)c1cc(F)ccc1F)C(N)=O ZINC000035793119 342759011 /nfs/dbraw/zinc/75/90/11/342759011.db2.gz IHHJMKQKHKPCMM-NKWVEPMBSA-N 1 0 228.242 1.489 10 0 BDAERO CC(C)(CO)Oc1ccccc1CCC[NH3+] ZINC000146184302 342766965 /nfs/dbraw/zinc/76/69/65/342766965.db2.gz LELMNUVPQXXKAC-UHFFFAOYSA-N 1 0 223.316 1.728 10 0 BDAERO C#CC[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000146332502 342767889 /nfs/dbraw/zinc/76/78/89/342767889.db2.gz ZDXBSIWLGJDQJD-AWEZNQCLSA-N 1 0 214.312 1.484 10 0 BDAERO Cc1cnc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000246869578 342770824 /nfs/dbraw/zinc/77/08/24/342770824.db2.gz GBGGMAGUZOFQJG-ZYHUDNBSSA-N 1 0 235.331 1.652 10 0 BDAERO CCOC(=O)[C@@]1(c2ccccc2)CC[N@H+](C)C1 ZINC000259973176 349617728 /nfs/dbraw/zinc/61/77/28/349617728.db2.gz CBBLIEHODKCLMT-AWEZNQCLSA-N 1 0 233.311 1.823 10 0 BDAERO CC(=O)Nc1ccc2c(c1)C[C@@H]([NH+](C)C)C2 ZINC000118431618 342800671 /nfs/dbraw/zinc/80/06/71/342800671.db2.gz BTZQHXRWXPELJY-ZDUSSCGKSA-N 1 0 218.300 1.674 10 0 BDAERO COc1ccc2c(c1OC)CCC[C@H]([NH3+])C2 ZINC000149825431 342794902 /nfs/dbraw/zinc/79/49/02/342794902.db2.gz CQIONNVDPHXIIF-JTQLQIEISA-N 1 0 221.300 1.910 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1cccs1)n1ccnc1 ZINC000043106988 342798113 /nfs/dbraw/zinc/79/81/13/342798113.db2.gz JKCXSVVELOGKFU-WPRPVWTQSA-N 1 0 207.302 1.881 10 0 BDAERO COC(=O)[C@@H]1C[C@H](Cc2ccccc2)CN1 ZINC000035882289 342799459 /nfs/dbraw/zinc/79/94/59/342799459.db2.gz YTGOEWZIIDHBGD-RYUDHWBXSA-N 1 0 219.284 1.380 10 0 BDAERO Cc1ccsc1[C@H]([NH3+])CS(C)(=O)=O ZINC000069693720 342808711 /nfs/dbraw/zinc/80/87/11/342808711.db2.gz MJIQXQZMDRHZHT-SSDOTTSWSA-N 1 0 219.331 1.101 10 0 BDAERO CCOc1cc(CCC[NH3+])ccc1OC ZINC000009245907 342811347 /nfs/dbraw/zinc/81/13/47/342811347.db2.gz FUVLNAQPNFFSSS-UHFFFAOYSA-N 1 0 209.289 1.985 10 0 BDAERO Cc1csc(N2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000127039148 342814894 /nfs/dbraw/zinc/81/48/94/342814894.db2.gz YCPMDPOXDXSXLZ-DTWKUNHWSA-N 1 0 211.334 1.625 10 0 BDAERO Cc1csc(N2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000127038870 342814900 /nfs/dbraw/zinc/81/49/00/342814900.db2.gz YCPMDPOXDXSXLZ-IUCAKERBSA-N 1 0 211.334 1.625 10 0 BDAERO C[C@@H](CCCCO)[NH2+]C1CC(F)(F)C1 ZINC000379662234 538979466 /nfs/dbraw/zinc/97/94/66/538979466.db2.gz RBTQYXCJSGGLBO-QMMMGPOBSA-N 1 0 207.264 1.925 10 0 BDAERO CCN(CC)[C@@H](C)C[NH2+]C[C@@H](C)COC ZINC000187646101 538976391 /nfs/dbraw/zinc/97/63/91/538976391.db2.gz RLYDQXSYGBAYHX-NEPJUHHUSA-N 1 0 216.369 1.589 10 0 BDAERO [NH3+]CCCc1nc(-c2ccccc2)n[nH]1 ZINC000042013493 361925081 /nfs/dbraw/zinc/92/50/81/361925081.db2.gz JPOFEDRVNMWNNZ-UHFFFAOYSA-N 1 0 202.261 1.363 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2CCCOC2)=[NH+]1 ZINC000071023296 361929956 /nfs/dbraw/zinc/92/99/56/361929956.db2.gz BXJANARJDVCTDK-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO CC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)C(C)(C)C ZINC000379955558 538982923 /nfs/dbraw/zinc/98/29/23/538982923.db2.gz VIEOQJKUCFJLMT-VHSXEESVSA-N 1 0 235.393 1.834 10 0 BDAERO COC1(C[NH2+][C@H]2CCC[C@H](O)C2)CCCC1 ZINC000381478409 539001631 /nfs/dbraw/zinc/00/16/31/539001631.db2.gz RVNZPAHZEOLVOD-RYUDHWBXSA-N 1 0 227.348 1.839 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2n[nH]cc2C)C1 ZINC000381751305 539006480 /nfs/dbraw/zinc/00/64/80/539006480.db2.gz RGPXDKLKJMOLEA-PWSUYJOCSA-N 1 0 222.336 1.148 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@@H]2CSCCN2)C1 ZINC000127084802 342839293 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LFBJIDHQKYSHPP-NXEZZACHSA-N 1 0 232.418 1.129 10 0 BDAERO Cc1cnn([C@H](C[NH3+])c2ccsc2)c1 ZINC000043124195 342928741 /nfs/dbraw/zinc/92/87/41/342928741.db2.gz XNLSOKNOBXOXSF-SNVBAGLBSA-N 1 0 207.302 1.801 10 0 BDAERO CC(C)[NH2+]CCC(=O)N[C@H](C)C(C)C ZINC000037480133 342936764 /nfs/dbraw/zinc/93/67/64/342936764.db2.gz SAQFZYPGNBCYPX-SNVBAGLBSA-N 1 0 200.326 1.535 10 0 BDAERO [NH3+][C@H](C(=O)NCC[C@@H]1CCCO1)c1ccccc1 ZINC000038096933 398336007 /nfs/dbraw/zinc/33/60/07/398336007.db2.gz VLLSAJXIWZUIKK-STQMWFEESA-N 1 0 248.326 1.372 10 0 BDAERO N#Cc1cc2cc(N3CC[NH2+]CC3)ccc2o1 ZINC000117052124 398333815 /nfs/dbraw/zinc/33/38/15/398333815.db2.gz JBKKMOYEFSXQEE-UHFFFAOYSA-N 1 0 227.267 1.714 10 0 BDAERO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(N)=O ZINC000112516439 346890282 /nfs/dbraw/zinc/89/02/82/346890282.db2.gz UMRXGBQOORSJHN-RDDDGLTNSA-N 1 0 242.269 1.879 10 0 BDAERO CCC[C@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C)OC ZINC000392885334 398335900 /nfs/dbraw/zinc/33/59/00/398335900.db2.gz KPNLNKRBDUPEJG-HBNTYKKESA-N 1 0 228.336 1.058 10 0 BDAERO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000175306307 346894071 /nfs/dbraw/zinc/89/40/71/346894071.db2.gz LJGDCJPFJIXTKS-GXSJLCMTSA-N 1 0 210.321 1.195 10 0 BDAERO C[C@H]([C@H](C)[NH3+])S(=O)(=O)c1ccccc1 ZINC000061702718 398343687 /nfs/dbraw/zinc/34/36/87/398343687.db2.gz HTJIDDAYANTZAS-DTWKUNHWSA-N 1 0 213.302 1.196 10 0 BDAERO Cc1nc(C(=O)N2CCC[C@@H]([NH3+])C2)cs1 ZINC000083575752 398344115 /nfs/dbraw/zinc/34/41/15/398344115.db2.gz DTFLDXGYUMSQPP-MRVPVSSYSA-N 1 0 225.317 1.015 10 0 BDAERO Cc1nc(C(=O)N2CCC[C@@H](C[NH3+])C2)cs1 ZINC000083575770 398344117 /nfs/dbraw/zinc/34/41/17/398344117.db2.gz BNYAUZXAKKFBAL-VIFPVBQESA-N 1 0 239.344 1.262 10 0 BDAERO CC(C)(C)C[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000304294977 259334328 /nfs/dbraw/zinc/33/43/28/259334328.db2.gz ZNMBUDKAQGIHKO-WDEREUQCSA-N 1 0 231.380 1.780 10 0 BDAERO [NH3+][C@H]1CCCc2c(F)cc(F)cc2[C@@H]1O ZINC000019795631 342958216 /nfs/dbraw/zinc/95/82/16/342958216.db2.gz QSEWTXZVKZPKFM-QWRGUYRKSA-N 1 0 213.227 1.662 10 0 BDAERO COC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304582571 259335538 /nfs/dbraw/zinc/33/55/38/259335538.db2.gz OJPWSROGTQOLNW-AXFHLTTASA-N 1 0 225.332 1.964 10 0 BDAERO C[N@H+](CCO)Cc1ccccc1-c1ncc[nH]1 ZINC000020706365 342994431 /nfs/dbraw/zinc/99/44/31/342994431.db2.gz WZQSZHTYJZVFFO-UHFFFAOYSA-N 1 0 231.299 1.501 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@@H](C[NH3+])C2CCCC2)O1 ZINC000235346675 343011068 /nfs/dbraw/zinc/01/10/68/343011068.db2.gz UKPQGYZPZLNORR-ADEWGFFLSA-N 1 0 240.347 1.188 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@@H]1[NH3+] ZINC000235368820 343011316 /nfs/dbraw/zinc/01/13/16/343011316.db2.gz CJPCHASWWMPUHA-SKDRFNHKSA-N 1 0 243.310 1.587 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC000176998739 346920058 /nfs/dbraw/zinc/92/00/58/346920058.db2.gz BOFXMHBDOQTLAJ-GFCCVEGCSA-N 1 0 235.331 1.571 10 0 BDAERO CC1CC(C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000309520609 259343343 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/nfs/dbraw/zinc/15/71/26/343157126.db2.gz YUGUPSIZOYGTEA-JTQLQIEISA-N 1 0 243.314 1.213 10 0 BDAERO CC[C@@H]([NH3+])CNc1ccc(C(=O)OC)c(C)n1 ZINC000124441110 343167874 /nfs/dbraw/zinc/16/78/74/343167874.db2.gz UVCAGVANOYOJKE-SECBINFHSA-N 1 0 237.303 1.326 10 0 BDAERO CC(C)[C@H](C)CC(=O)NC(C)(C)C[NH3+] ZINC000261531925 534933672 /nfs/dbraw/zinc/93/36/72/534933672.db2.gz IKJSTPJZSMXRRQ-SECBINFHSA-N 1 0 200.326 1.522 10 0 BDAERO CC1(C)C[C@H]([NH2+]CCC(N)=O)c2ccccc2O1 ZINC000162995426 343205940 /nfs/dbraw/zinc/20/59/40/343205940.db2.gz BJICITMBGSJAPD-NSHDSACASA-N 1 0 248.326 1.754 10 0 BDAERO [NH3+]C[C@H](O)c1ccc(F)c(C(F)(F)F)c1 ZINC000163566500 343206742 /nfs/dbraw/zinc/20/67/42/343206742.db2.gz YKMMQDISHNIROB-QMMMGPOBSA-N 1 0 223.169 1.837 10 0 BDAERO C[C@H](CC[NH3+])Nc1ccc2nccnc2n1 ZINC000134268878 343193994 /nfs/dbraw/zinc/19/39/94/343193994.db2.gz KAYJVNJPAKAEBY-MRVPVSSYSA-N 1 0 217.276 1.174 10 0 BDAERO COC[C@H]([NH3+])c1cnc2c(C)cccn12 ZINC000031911784 343226379 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/nfs/dbraw/zinc/57/81/21/343578121.db2.gz JWHYCGUAACRUJJ-TUAOUCFPSA-N 1 0 215.337 1.551 10 0 BDAERO Cc1ccc(CN(C)C2CC[NH2+]CC2)o1 ZINC000036300953 178545335 /nfs/dbraw/zinc/54/53/35/178545335.db2.gz WVOYPKGFYSAIEY-UHFFFAOYSA-N 1 0 208.305 1.772 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC[C@H]1O ZINC000624235376 343578217 /nfs/dbraw/zinc/57/82/17/343578217.db2.gz JILMWFIBRNIMJA-NOOOWODRSA-N 1 0 213.321 1.305 10 0 BDAERO CNC(=O)C[C@H]1[NH2+]CCc2ccsc21 ZINC000712515952 537787656 /nfs/dbraw/zinc/78/76/56/537787656.db2.gz PGQDRHSTQZXSLG-MRVPVSSYSA-N 1 0 210.302 1.071 10 0 BDAERO c1cc2c(s1)[C@@H](c1ccncn1)[NH2+]CC2 ZINC000712501052 537788274 /nfs/dbraw/zinc/78/82/74/537788274.db2.gz GWYBOLVFKNNLJD-SNVBAGLBSA-N 1 0 217.297 1.773 10 0 BDAERO c1cc2c(s1)[C@@H](c1cn[nH]c1)[NH2+]CC2 ZINC000712522172 537789914 /nfs/dbraw/zinc/78/99/14/537789914.db2.gz HMABDPCUPXBSAE-SECBINFHSA-N 1 0 205.286 1.706 10 0 BDAERO COC(=O)CCCC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000602929964 349821388 /nfs/dbraw/zinc/82/13/88/349821388.db2.gz BGYVPYJYVVONHH-GHMZBOCLSA-N 1 0 229.320 1.175 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000602930065 349821734 /nfs/dbraw/zinc/82/17/34/349821734.db2.gz FKLHHOJZWIQQKK-GHMZBOCLSA-N 1 0 243.347 1.563 10 0 BDAERO Cc1nnc(N[C@@H](C)CCC[NH3+])s1 ZINC000087362307 343645415 /nfs/dbraw/zinc/64/54/15/343645415.db2.gz ROBLVZZRNSRBFR-LURJTMIESA-N 1 0 200.311 1.386 10 0 BDAERO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000399207722 488227005 /nfs/dbraw/zinc/22/70/05/488227005.db2.gz DUFOGPMXHPLDPC-XQHKEYJVSA-N 1 0 227.348 1.383 10 0 BDAERO C[C@@H]1C[C@@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712581052 537794404 /nfs/dbraw/zinc/79/44/04/537794404.db2.gz BZASNTHSSOFQEC-KCJUWKMLSA-N 1 0 209.314 1.898 10 0 BDAERO Cc1ccc2c(c1)[C@@H]([NH3+])[C@@H](C)S2(=O)=O ZINC000043636387 343633893 /nfs/dbraw/zinc/63/38/93/343633893.db2.gz RTNAGBLYCSGMLL-XCBNKYQSSA-N 1 0 211.286 1.171 10 0 BDAERO CCC[N@@H+](CC(=O)OC)C[C@@H]1CCC[C@H](O)C1 ZINC000380045217 343672514 /nfs/dbraw/zinc/67/25/14/343672514.db2.gz KJZDEZSDODXDSD-NEPJUHHUSA-N 1 0 243.347 1.423 10 0 BDAERO C[C@H](C[NH+](C)C)n1cc(Cl)c(N)n1 ZINC000713987571 537800578 /nfs/dbraw/zinc/80/05/78/537800578.db2.gz MBPZPLPIBUFJPF-ZCFIWIBFSA-N 1 0 202.689 1.241 10 0 BDAERO COc1ccc2c(c1)CC[NH2+][C@@H]2CN(C)C ZINC000083665871 343653482 /nfs/dbraw/zinc/65/34/82/343653482.db2.gz APVVJXRURDLQPA-CYBMUJFWSA-N 1 0 220.316 1.444 10 0 BDAERO CC[C@H]([NH3+])CNc1cc(C(C)C)ncn1 ZINC000082579416 133502794 /nfs/dbraw/zinc/50/27/94/133502794.db2.gz UPFMCCQSDKWWNL-VIFPVBQESA-N 1 0 208.309 1.749 10 0 BDAERO C[C@H](CC(=O)NC[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000082628547 133504083 /nfs/dbraw/zinc/50/40/83/133504083.db2.gz WDAMKZWFSVNVLG-GHMZBOCLSA-N 1 0 226.364 1.927 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@]([NH3+])(CF)C1 ZINC000216849978 343769301 /nfs/dbraw/zinc/76/93/01/343769301.db2.gz VLPXLQTUAYSBOS-LLVKDONJSA-N 1 0 232.299 1.684 10 0 BDAERO C[C@@H]1CNC[C@@H](C)[NH+]1C[Si](C)(C)C ZINC000401840578 343776134 /nfs/dbraw/zinc/77/61/34/343776134.db2.gz HBLFIUAMOLNACX-NXEZZACHSA-N 1 0 200.402 1.546 10 0 BDAERO [NH2+]=C(NCCN1CCOCC1)C1CCCCC1 ZINC000062989237 343747069 /nfs/dbraw/zinc/74/70/69/343747069.db2.gz ZTHKUKDGLHKBAL-UHFFFAOYSA-N 1 0 239.363 1.466 10 0 BDAERO CC[C@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090223837 343750062 /nfs/dbraw/zinc/75/00/62/343750062.db2.gz NYZJGWKYOZQSKM-WPRPVWTQSA-N 1 0 208.309 1.810 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CC=C(c2ccccc2)CC1 ZINC000037804733 343783395 /nfs/dbraw/zinc/78/33/95/343783395.db2.gz MGBYBTWZBVJDSG-NSHDSACASA-N 1 0 230.311 1.650 10 0 BDAERO CC(C)c1noc(C[C@@H]2CCCC[NH2+]2)n1 ZINC000096869417 343785025 /nfs/dbraw/zinc/78/50/25/343785025.db2.gz RGNAZWZLZCUPTL-VIFPVBQESA-N 1 0 209.293 1.878 10 0 BDAERO O=c1cc(C2CC2)[n-]n1[C@H]1CCC[NH2+]C1 ZINC000106844076 343785602 /nfs/dbraw/zinc/78/56/02/343785602.db2.gz GTCZDMSXAPENHH-VIFPVBQESA-N 1 0 207.277 1.391 10 0 BDAERO [NH3+]CC1CCN(CC(=O)c2ccccc2)CC1 ZINC000144079938 343785657 /nfs/dbraw/zinc/78/56/57/343785657.db2.gz AGQGXNKZQHUQGF-UHFFFAOYSA-N 1 0 232.327 1.540 10 0 BDAERO CC[NH+]1CCN(c2ccnc(Cl)n2)CC1 ZINC000051849285 343788944 /nfs/dbraw/zinc/78/89/44/343788944.db2.gz PXKJPIOXYRNHQR-UHFFFAOYSA-N 1 0 226.711 1.272 10 0 BDAERO O=C([C@H]1CCC[NH2+]1)N1CCC(C(F)F)CC1 ZINC000307892784 343789950 /nfs/dbraw/zinc/78/99/50/343789950.db2.gz UJKBOAPIUPOZLX-SECBINFHSA-N 1 0 232.274 1.242 10 0 BDAERO C[NH2+]Cc1cc(-c2cccnc2)nn1C ZINC000219966571 343793213 /nfs/dbraw/zinc/79/32/13/343793213.db2.gz GZKHPECELVZJGC-UHFFFAOYSA-N 1 0 202.261 1.202 10 0 BDAERO Cn1nccc1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000236085151 343795651 /nfs/dbraw/zinc/79/56/51/343795651.db2.gz LYVPSKFDUMFVET-GFCCVEGCSA-N 1 0 213.284 1.655 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CC[C@@H](C(F)(F)F)C1 ZINC000304437624 343797583 /nfs/dbraw/zinc/79/75/83/343797583.db2.gz SGBWCTROJDSDPF-JGVFFNPUSA-N 1 0 236.237 1.007 10 0 BDAERO [NH2+]=C(CN1CCCC[C@@H]1c1cccnc1)NO ZINC000409427094 343799944 /nfs/dbraw/zinc/79/99/44/343799944.db2.gz HMBARFPUTAWODQ-LLVKDONJSA-N 1 0 234.303 1.565 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1C[C@H]2CCC(F)(F)[C@@H]2C1 ZINC000409427209 343800193 /nfs/dbraw/zinc/80/01/93/343800193.db2.gz KAIZISZUXBWKJH-OPRDCNLKSA-N 1 0 244.285 1.100 10 0 BDAERO FC1(F)CC[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@H]21 ZINC000409427505 343801072 /nfs/dbraw/zinc/80/10/72/343801072.db2.gz KOJWKIWZRZVBIB-MWLCHTKSSA-N 1 0 230.302 1.716 10 0 BDAERO [NH3+]Cc1cc2n(n1)C[C@H](c1ccccc1)OC2 ZINC000409431233 343812003 /nfs/dbraw/zinc/81/20/03/343812003.db2.gz ZLKVRAUNFMHNHO-CYBMUJFWSA-N 1 0 229.283 1.613 10 0 BDAERO C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H](O)C1 ZINC000409422147 343812675 /nfs/dbraw/zinc/81/26/75/343812675.db2.gz BIBDXFAWHNINPY-WCQYABFASA-N 1 0 205.301 1.684 10 0 BDAERO COc1cccc([C@@H](F)CN2CC[NH2+]CC2)c1 ZINC000409422378 343813270 /nfs/dbraw/zinc/81/32/70/343813270.db2.gz DDJSIVLWPZEXLA-ZDUSSCGKSA-N 1 0 238.306 1.611 10 0 BDAERO CC(F)(F)[C@H]1CCCN(CC(=[NH2+])NO)C1 ZINC000409424994 343818163 /nfs/dbraw/zinc/81/81/63/343818163.db2.gz DOZOSLXIMFHOAK-ZETCQYMHSA-N 1 0 221.251 1.310 10 0 BDAERO CC(F)(F)[C@@H]1CCCN(CC(=[NH2+])NO)C1 ZINC000409424987 343818264 /nfs/dbraw/zinc/81/82/64/343818264.db2.gz DOZOSLXIMFHOAK-SSDOTTSWSA-N 1 0 221.251 1.310 10 0 BDAERO [NH3+]Cc1cn2c(n1)CO[C@@H](c1ccsc1)C2 ZINC000409425890 343820931 /nfs/dbraw/zinc/82/09/31/343820931.db2.gz CDJSZDJJDBTUDD-SNVBAGLBSA-N 1 0 235.312 1.675 10 0 BDAERO [NH2+]=C(CN1C[C@@H]2CCCC(F)(F)[C@@H]2C1)NO ZINC000409428708 343804059 /nfs/dbraw/zinc/80/40/59/343804059.db2.gz MVWLYYWDDIWRQS-JGVFFNPUSA-N 1 0 233.262 1.310 10 0 BDAERO CCOC[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000409432735 343827380 /nfs/dbraw/zinc/82/73/80/343827380.db2.gz WHMRVQRYSUGWQL-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO Cc1ccc([C@H](C[NH3+])n2ncccc2=O)cc1 ZINC000409429921 343807146 /nfs/dbraw/zinc/80/71/46/343807146.db2.gz UIYKIDMFOFUSIB-LBPRGKRZSA-N 1 0 229.283 1.100 10 0 BDAERO CC(C)c1cc(-c2cnccn2)nn1CC[NH3+] ZINC000409440705 343853387 /nfs/dbraw/zinc/85/33/87/343853387.db2.gz OCFUEUWAHMEMRR-UHFFFAOYSA-N 1 0 231.303 1.422 10 0 BDAERO CC(C)(C)c1nc([C@H]2CCC[C@@H]2[NH3+])no1 ZINC000409442153 343857330 /nfs/dbraw/zinc/85/73/30/343857330.db2.gz TVCYBAKQHKGTLT-YUMQZZPRSA-N 1 0 209.293 1.962 10 0 BDAERO [NH2+]=C(NO)[C@H]([C@@H]1CCOC1)n1cccc1 ZINC000409440873 343856308 /nfs/dbraw/zinc/85/63/08/343856308.db2.gz MMDWPCFVBQKUPC-BDAKNGLRSA-N 1 0 209.249 1.022 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CCC(C(C)(F)F)CC1 ZINC000409433912 343831082 /nfs/dbraw/zinc/83/10/82/343831082.db2.gz ZGDBBJHQEJMYFC-ZETCQYMHSA-N 1 0 220.263 1.227 10 0 BDAERO CCN(C(=O)[C@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000409433309 343832203 /nfs/dbraw/zinc/83/22/03/343832203.db2.gz MMVWWIOCQTZCOL-GFCCVEGCSA-N 1 0 240.347 1.156 10 0 BDAERO CCOC[C@@H]1CN(CC(=[NH2+])NO)CC12CCC2 ZINC000409436336 343838456 /nfs/dbraw/zinc/83/84/56/343838456.db2.gz ZJGQUWGLKPMOCE-JTQLQIEISA-N 1 0 241.335 1.081 10 0 BDAERO NC(N)=c1c2nccn2[nH+]c1C1CCC1 ZINC000409437029 343842255 /nfs/dbraw/zinc/84/22/55/343842255.db2.gz BQBKQKAJIMMNNR-UHFFFAOYSA-N 1 0 203.249 1.214 10 0 BDAERO [NH3+]CCN1CCn2nc(C3CCCC3)cc2C1 ZINC000409438773 343845530 /nfs/dbraw/zinc/84/55/30/343845530.db2.gz OMINBGSSSVIQKK-UHFFFAOYSA-N 1 0 234.347 1.315 10 0 BDAERO Cc1cc(-c2ccncc2)nn1CC(N)=[NH2+] ZINC000409439541 343847346 /nfs/dbraw/zinc/84/73/46/343847346.db2.gz IVZBPINAXWJITF-UHFFFAOYSA-N 1 0 215.260 1.189 10 0 BDAERO [NH3+]Cc1c(-c2ccccc2)nn2cc[nH]c12 ZINC000409439697 343847851 /nfs/dbraw/zinc/84/78/51/343847851.db2.gz TULFRWKDEMDPRC-UHFFFAOYSA-N 1 0 212.256 1.788 10 0 BDAERO CCN(CC)c1ccc([C@H](C[NH3+])N(C)C)o1 ZINC000409437701 343848380 /nfs/dbraw/zinc/84/83/80/343848380.db2.gz AWGFKMFPAMLQQH-JTQLQIEISA-N 1 0 225.336 1.687 10 0 BDAERO CC(C)n1nc2c(c1C(N)=[NH2+])CCCC2 ZINC000409437837 343848952 /nfs/dbraw/zinc/84/89/52/343848952.db2.gz JFDZFKOWDPCROY-UHFFFAOYSA-N 1 0 206.293 1.627 10 0 BDAERO Nc1cc(-c2ccccc2)nn1CC[NH3+] ZINC000409437855 343849039 /nfs/dbraw/zinc/84/90/39/343849039.db2.gz JJIORYWIVOGNJF-UHFFFAOYSA-N 1 0 202.261 1.091 10 0 BDAERO CN(C)[C@@H](C[NH3+])c1ccc(N2CCCCC2)o1 ZINC000409438037 343849285 /nfs/dbraw/zinc/84/92/85/343849285.db2.gz BUVSGWYTDCPFRL-NSHDSACASA-N 1 0 237.347 1.831 10 0 BDAERO C[NH2+][C@@H]1CCC[C@H]1NCc1ccccc1 ZINC000409442622 343857723 /nfs/dbraw/zinc/85/77/23/343857723.db2.gz YGVOCONEHPTSEX-CHWSQXEVSA-N 1 0 204.317 1.917 10 0 BDAERO CN1C(=O)[C@@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000409441879 343861957 /nfs/dbraw/zinc/86/19/57/343861957.db2.gz RYFGQDWZDSIGLR-VHSXEESVSA-N 1 0 208.236 1.056 10 0 BDAERO [NH3+]CCc1cc(C(F)(F)F)nn1CCF ZINC000409443658 343862247 /nfs/dbraw/zinc/86/22/47/343862247.db2.gz QWLAATJSPPOLFL-UHFFFAOYSA-N 1 0 225.189 1.373 10 0 BDAERO c1ccc2c(c1)OCC[C@@]1(CC[NH2+]C1)CO2 ZINC000409443809 343863018 /nfs/dbraw/zinc/86/30/18/343863018.db2.gz UTSWVICTXSSVHA-CYBMUJFWSA-N 1 0 219.284 1.828 10 0 BDAERO [NH3+]Cc1cc(C(F)(F)F)nn1CCF ZINC000409442903 343865281 /nfs/dbraw/zinc/86/52/81/343865281.db2.gz CVSWGSPSMTXTHI-UHFFFAOYSA-N 1 0 211.162 1.330 10 0 BDAERO C[NH2+]Cc1cc(-c2ccncc2)nn1CCF ZINC000409443201 343866273 /nfs/dbraw/zinc/86/62/73/343866273.db2.gz IUCSTMBOLDBVLX-UHFFFAOYSA-N 1 0 234.278 1.634 10 0 BDAERO CCCNC(=O)NC[C@H]([NH3+])C(C)(C)C ZINC000324610081 537831114 /nfs/dbraw/zinc/83/11/14/537831114.db2.gz OCJGZZUKLBMLTC-QMMMGPOBSA-N 1 0 201.314 1.069 10 0 BDAERO Cc1ccc([C@H](O)CN2CC[NH2+]CC2)c(C)c1 ZINC000022043898 343889026 /nfs/dbraw/zinc/88/90/26/343889026.db2.gz OPZOKRKXVZPGNY-CQSZACIVSA-N 1 0 234.343 1.242 10 0 BDAERO C[C@H](O)CC(C)(C)C[NH2+]CC(C)(C)O ZINC000393638773 343906069 /nfs/dbraw/zinc/90/60/69/343906069.db2.gz QWKIBBVTQFWHCA-VIFPVBQESA-N 1 0 203.326 1.144 10 0 BDAERO NC(=S)[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000070661957 343953398 /nfs/dbraw/zinc/95/33/98/343953398.db2.gz IPZOUESOCHYJNB-VIFPVBQESA-N 1 0 226.370 1.999 10 0 BDAERO C[C@H](C(N)=[NH2+])N1CCSC(C)(C)C1 ZINC000135213930 343968453 /nfs/dbraw/zinc/96/84/53/343968453.db2.gz KNRNFZLUDJCYCG-SSDOTTSWSA-N 1 0 201.339 1.138 10 0 BDAERO CC1(C)CN(C(=[NH2+])NC2CC2)CCS1 ZINC000135214154 343968759 /nfs/dbraw/zinc/96/87/59/343968759.db2.gz ZHQMQBZWWXRSGZ-UHFFFAOYSA-N 1 0 213.350 1.501 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000395085814 344064764 /nfs/dbraw/zinc/06/47/64/344064764.db2.gz VOAMBVYXHZYASZ-GXFFZTMASA-N 1 0 231.299 1.298 10 0 BDAERO CC(C)(C)[NH2+]C[C@H](O)COC(=O)C1CCCC1 ZINC000025969592 344117318 /nfs/dbraw/zinc/11/73/18/344117318.db2.gz RRXHKQAXHKVXSZ-NSHDSACASA-N 1 0 243.347 1.469 10 0 BDAERO CC(C)C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(C)C ZINC000616569234 344169699 /nfs/dbraw/zinc/16/96/99/344169699.db2.gz HGDSCYXDEIJOSJ-NWDGAFQWSA-N 1 0 226.364 1.783 10 0 BDAERO C=CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000616569251 344170220 /nfs/dbraw/zinc/17/02/20/344170220.db2.gz HQTXSRGXFSBQMF-CHWSQXEVSA-N 1 0 248.301 1.573 10 0 BDAERO COC(=O)[C@]1(c2cc(F)ccc2F)CC[NH2+]C1 ZINC000616570247 344171603 /nfs/dbraw/zinc/17/16/03/344171603.db2.gz FVTNTYDRXWNMIJ-GFCCVEGCSA-N 1 0 241.237 1.369 10 0 BDAERO O[C@H]1CCC[C@H](C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000625853442 344126120 /nfs/dbraw/zinc/12/61/20/344126120.db2.gz JGLTZPYYFBIANO-XDQVBPFNSA-N 1 0 239.359 1.791 10 0 BDAERO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CCCC1 ZINC000634736415 344128012 /nfs/dbraw/zinc/12/80/12/344128012.db2.gz LZVMGTPVDKVNJI-FZMZJTMJSA-N 1 0 236.359 1.777 10 0 BDAERO C[C@@H]1CCCCN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736522 344128038 /nfs/dbraw/zinc/12/80/38/344128038.db2.gz QENFKGCGDDRDIQ-DYEKYZERSA-N 1 0 236.359 1.777 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(C(C)C)[nH]n1 ZINC000129156843 344211353 /nfs/dbraw/zinc/21/13/53/344211353.db2.gz ZQVFMHDBFKTBFF-SSDOTTSWSA-N 1 0 210.281 1.080 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000634760093 344233595 /nfs/dbraw/zinc/23/35/95/344233595.db2.gz WVTZKWSNPCMLFX-MCIGGMRASA-N 1 0 238.375 1.927 10 0 BDAERO [NH3+]C1CN(Cc2ccccc2Br)C1 ZINC000083634348 344180916 /nfs/dbraw/zinc/18/09/16/344180916.db2.gz SQSAHOMWCWFMCO-UHFFFAOYSA-N 1 0 241.132 1.592 10 0 BDAERO CC[C@H](C)CN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634750811 344201130 /nfs/dbraw/zinc/20/11/30/344201130.db2.gz FKHINOXTTJWXKT-OBJOEFQTSA-N 1 0 238.375 1.881 10 0 BDAERO CC(C)n1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)n1 ZINC000085161470 344202876 /nfs/dbraw/zinc/20/28/76/344202876.db2.gz DYNTYZUNWXVFNL-CHWSQXEVSA-N 1 0 237.347 1.857 10 0 BDAERO Cc1ccc(C[C@@]2(C[NH3+])CCOC2)cc1 ZINC000054637625 178649684 /nfs/dbraw/zinc/64/96/84/178649684.db2.gz LXICTYQOMDCXSM-CYBMUJFWSA-N 1 0 205.301 1.903 10 0 BDAERO Cc1ccnc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000634762597 344263264 /nfs/dbraw/zinc/26/32/64/344263264.db2.gz BMIYCOAKCXMSHQ-FZMZJTMJSA-N 1 0 245.326 1.718 10 0 BDAERO Cc1cnccc1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767846 344279633 /nfs/dbraw/zinc/27/96/33/344279633.db2.gz MGFBHQQWLCPHOY-FZMZJTMJSA-N 1 0 245.326 1.140 10 0 BDAERO O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771393 344285418 /nfs/dbraw/zinc/28/54/18/344285418.db2.gz SXYDUVXZWQVWCH-ZUDIRPEPSA-N 1 0 234.343 1.291 10 0 BDAERO CC(C)(F)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771758 344287003 /nfs/dbraw/zinc/28/70/03/344287003.db2.gz HZIJSXKBFYDUKK-GWCFXTLKSA-N 1 0 242.338 1.631 10 0 BDAERO Cc1cnc(N2C[C@H]([NH3+])C[C@H]2C)nc1C ZINC000385084087 344320685 /nfs/dbraw/zinc/32/06/85/344320685.db2.gz KKIHCZAMSMMHDB-PSASIEDQSA-N 1 0 206.293 1.019 10 0 BDAERO CO[C@H](C)c1nsc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385160284 344356850 /nfs/dbraw/zinc/35/68/50/344356850.db2.gz BGRIKOOUXQXSPE-XLPZGREQSA-N 1 0 242.348 1.171 10 0 BDAERO Cc1nc2ccccc2nc1N1C[C@H]([NH3+])C[C@H]1C ZINC000385170615 344360486 /nfs/dbraw/zinc/36/04/86/344360486.db2.gz FQPYCPROQGPYBM-MWLCHTKSSA-N 1 0 242.326 1.864 10 0 BDAERO C[C@H]1CN(S(=O)(=O)CCC(C)(C)C)C[C@H]1[NH3+] ZINC000300048568 344380651 /nfs/dbraw/zinc/38/06/51/344380651.db2.gz LHOBYCUHHMLZAN-VHSXEESVSA-N 1 0 248.392 1.031 10 0 BDAERO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc[nH]1 ZINC000247722388 344386248 /nfs/dbraw/zinc/38/62/48/344386248.db2.gz BNGCEMOQZAFMLM-HOSYDEDBSA-N 1 0 207.321 1.935 10 0 BDAERO C[C@@H](c1ccc[nH]1)N(C)C[C@H]1CCC[NH2+]1 ZINC000247722465 344386451 /nfs/dbraw/zinc/38/64/51/344386451.db2.gz BPTKEJFOONKTIU-WDEREUQCSA-N 1 0 207.321 1.760 10 0 BDAERO C[C@H]1CN(c2cc(C(C)(C)C)ncn2)C[C@@H]1C[NH3+] ZINC000634812721 344396990 /nfs/dbraw/zinc/39/69/90/344396990.db2.gz PTUFRLZKQLOFKR-QWRGUYRKSA-N 1 0 248.374 1.805 10 0 BDAERO NC(=[NH2+])c1ccc(Br)cc1N ZINC000166035671 344407195 /nfs/dbraw/zinc/40/71/95/344407195.db2.gz TVMTZCXVGURLPW-UHFFFAOYSA-N 1 0 214.066 1.315 10 0 BDAERO CCN(C(=O)C[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000584302055 344438967 /nfs/dbraw/zinc/43/89/67/344438967.db2.gz QMYGTRTWMJEHCJ-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCSCCCO ZINC000389357338 344482510 /nfs/dbraw/zinc/48/25/10/344482510.db2.gz BUQIQMUXDINMJY-SNVBAGLBSA-N 1 0 235.393 1.099 10 0 BDAERO Nc1cc[nH+]cc1-n1cc(Br)cn1 ZINC000217089165 344482936 /nfs/dbraw/zinc/48/29/36/344482936.db2.gz AVYNJFYYZBZURL-UHFFFAOYSA-N 1 0 239.076 1.612 10 0 BDAERO C([NH2+][C@@H]1CCCSC1)[C@H]1CCOCO1 ZINC000220718501 344570477 /nfs/dbraw/zinc/57/04/77/344570477.db2.gz UKYUILQXIHNMKA-NXEZZACHSA-N 1 0 217.334 1.235 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000381507378 344515001 /nfs/dbraw/zinc/51/50/01/344515001.db2.gz LUIUTGUOUSKTQM-OLZOCXBDSA-N 1 0 233.359 1.544 10 0 BDAERO COC(=O)c1[nH]c2ccccc2c1CC[NH3+] ZINC000044397297 344540017 /nfs/dbraw/zinc/54/00/17/344540017.db2.gz ACYVQVCAVMGKFB-UHFFFAOYSA-N 1 0 218.256 1.456 10 0 BDAERO CC[C@H](C)[N@@H+]1CCC[C@@H](C(N)=S)C1 ZINC000227580178 344540197 /nfs/dbraw/zinc/54/01/97/344540197.db2.gz QZNAOLUJRKBLMB-DTWKUNHWSA-N 1 0 200.351 1.783 10 0 BDAERO F[C@]1([C@@H]2CCCCC[NH2+]2)CCCNC1 ZINC000158093371 344541877 /nfs/dbraw/zinc/54/18/77/344541877.db2.gz MGKHDXJIYFGYIR-WDEREUQCSA-N 1 0 200.301 1.610 10 0 BDAERO CC(C)NC(=[NH2+])NC1CCSCC1 ZINC000220787285 344584275 /nfs/dbraw/zinc/58/42/75/344584275.db2.gz ADHBWOVRMLQQJW-UHFFFAOYSA-N 1 0 201.339 1.404 10 0 BDAERO CC(C)c1nsc(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000306946264 344587335 /nfs/dbraw/zinc/58/73/35/344587335.db2.gz MGCPVJVGLHVSRE-RQJHMYQMSA-N 1 0 214.338 1.809 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCS[C@@H](C)C1 ZINC000220957858 344649727 /nfs/dbraw/zinc/64/97/27/344649727.db2.gz FZVAEUSSZXBDGI-NKWVEPMBSA-N 1 0 204.364 1.098 10 0 BDAERO C[C@H]1C[C@H](n2cc[nH]c2=S)CC[N@@H+]1C ZINC000158555664 344676725 /nfs/dbraw/zinc/67/67/25/344676725.db2.gz NHBKSGHVFCBXHS-DTWKUNHWSA-N 1 0 211.334 1.827 10 0 BDAERO CC(C)[C@](F)(CN)[C@H]1CCCCC[NH2+]1 ZINC000158389257 344640120 /nfs/dbraw/zinc/64/01/20/344640120.db2.gz IZYYHHIWWQWSKZ-GHMZBOCLSA-N 1 0 202.317 1.842 10 0 BDAERO C/C(=C/c1c(Br)nnn1C)[C@H](C)[NH3+] ZINC000393564834 344701737 /nfs/dbraw/zinc/70/17/37/344701737.db2.gz HUALAJHAWSANGE-XSIKTDMUSA-N 1 0 245.124 1.328 10 0 BDAERO CSCCC[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400402010 537855630 /nfs/dbraw/zinc/85/56/30/537855630.db2.gz UAQSCETUCVTPMG-MRVPVSSYSA-N 1 0 211.334 1.740 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)N=c1[nH]c2ccccc2o1 ZINC000336521434 347076863 /nfs/dbraw/zinc/07/68/63/347076863.db2.gz WGSWRJGYNJCYPA-HTQZYQBOSA-N 1 0 205.261 1.397 10 0 BDAERO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=S)C1 ZINC000166212143 344802196 /nfs/dbraw/zinc/80/21/96/344802196.db2.gz BNNVLYOMBFCWBT-DTWKUNHWSA-N 1 0 200.351 1.639 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCC(C)(C)O1 ZINC000385078890 344868911 /nfs/dbraw/zinc/86/89/11/344868911.db2.gz WMXXMDCRXWGQES-UTUOFQBUSA-N 1 0 227.348 1.789 10 0 BDAERO C[C@@H]1OCC[C@H]1CNC1=[NH+]CCS1 ZINC000235357172 344893810 /nfs/dbraw/zinc/89/38/10/344893810.db2.gz FOYISPSLERVGHL-YUMQZZPRSA-N 1 0 200.307 1.104 10 0 BDAERO C[C@@H]1CN(C/C=C/Cl)[C@@H](C)CC[NH2+]1 ZINC000235376948 344897382 /nfs/dbraw/zinc/89/73/82/344897382.db2.gz LSWLLWDTATUJNE-AEJJFCSLSA-N 1 0 202.729 1.811 10 0 BDAERO Cc1nc(C)c([C@@H](O)[C@H](C)C[NH3+])s1 ZINC000235443983 344916096 /nfs/dbraw/zinc/91/60/96/344916096.db2.gz BXRCRNOMLZSARH-XRGYYRRGSA-N 1 0 200.307 1.388 10 0 BDAERO C[C@H](C[NH3+])Nc1cccnc1Br ZINC000235470040 344918913 /nfs/dbraw/zinc/91/89/13/344918913.db2.gz KPHIJGFCMXRVHO-ZCFIWIBFSA-N 1 0 230.109 1.603 10 0 BDAERO C[C@H]1OCC[C@@H]1CNC1=[NH+]CCS1 ZINC000235603330 344953031 /nfs/dbraw/zinc/95/30/31/344953031.db2.gz FOYISPSLERVGHL-HTQZYQBOSA-N 1 0 200.307 1.104 10 0 BDAERO CO[C@H]1CCC[C@@H]([NH2+]CCn2cc(C)cn2)C1 ZINC000234839681 537879238 /nfs/dbraw/zinc/87/92/38/537879238.db2.gz JMMXXPBKMGXGQV-OLZOCXBDSA-N 1 0 237.347 1.739 10 0 BDAERO CC(C)(C)OC(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000238172137 344981368 /nfs/dbraw/zinc/98/13/68/344981368.db2.gz SHDSDRJLIUSZTR-UHFFFAOYSA-N 1 0 248.273 1.462 10 0 BDAERO CN(C)CC(=O)c1cc(F)c(F)cc1F ZINC000238290191 345013211 /nfs/dbraw/zinc/01/32/11/345013211.db2.gz VFZFXUIAGQNIRJ-UHFFFAOYSA-N 1 0 217.190 1.848 10 0 BDAERO CCOc1cc([C@@H]([NH3+])CCO)ccc1O ZINC000044232390 344988374 /nfs/dbraw/zinc/98/83/74/344988374.db2.gz FFAUYYRYXLKWJT-VIFPVBQESA-N 1 0 211.261 1.173 10 0 BDAERO COc1ccc([C@H]([NH3+])CCO)c(Cl)c1OC ZINC000044233077 344988403 /nfs/dbraw/zinc/98/84/03/344988403.db2.gz JQTASXPZMLFDRD-MRVPVSSYSA-N 1 0 245.706 1.739 10 0 BDAERO CC1(C)CN(Cc2ccccc2)C[C@@H](C[NH3+])O1 ZINC000011886483 345050642 /nfs/dbraw/zinc/05/06/42/345050642.db2.gz DSQYMFUJKJXVSW-CYBMUJFWSA-N 1 0 234.343 1.625 10 0 BDAERO C[NH+](C)C[C@H]1CN(Cc2ccccc2)CC[C@H]1O ZINC000248135034 345052172 /nfs/dbraw/zinc/05/21/72/345052172.db2.gz RHNZVCBQHIJIPJ-LSDHHAIUSA-N 1 0 248.370 1.431 10 0 BDAERO Cn1ccnc1[C@H]([NH3+])COc1ccccc1 ZINC000011848584 345029945 /nfs/dbraw/zinc/02/99/45/345029945.db2.gz JGVPIQFQXLKMEV-LLVKDONJSA-N 1 0 217.272 1.499 10 0 BDAERO Cc1cccc2c(C)cc(=O)n(C[C@H](C)[NH3+])c12 ZINC000011849647 345032795 /nfs/dbraw/zinc/03/27/95/345032795.db2.gz IZCDXKGGXCDSSX-NSHDSACASA-N 1 0 230.311 1.966 10 0 BDAERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1Cl ZINC000044400104 345053404 /nfs/dbraw/zinc/05/34/04/345053404.db2.gz OQHQJDVUYALMEB-SSDOTTSWSA-N 1 0 201.701 1.662 10 0 BDAERO Cc1ccc(NC(=O)C[NH3+])c(Br)c1 ZINC000011957172 345087385 /nfs/dbraw/zinc/08/73/85/345087385.db2.gz PBYUHVHGLDIJJI-UHFFFAOYSA-N 1 0 243.104 1.655 10 0 BDAERO Cc1nc(OC(F)(F)F)ccc1C[NH3+] ZINC000238563485 345077286 /nfs/dbraw/zinc/07/72/86/345077286.db2.gz ACRSDNRZQGPIDP-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO Cc1ccc(O[C@H]2COCC[C@H]2[NH3+])cc1C ZINC000036305779 178819849 /nfs/dbraw/zinc/81/98/49/178819849.db2.gz WHOFNHVIMJTZDC-OLZOCXBDSA-N 1 0 221.300 1.798 10 0 BDAERO CCOC1CC([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC000162854760 133536652 /nfs/dbraw/zinc/53/66/52/133536652.db2.gz IFNLOUDYVIVXAI-IKWCTNDRSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@]([NH3+])(CO)c1cncc(Br)c1 ZINC000238513056 345065333 /nfs/dbraw/zinc/06/53/33/345065333.db2.gz HOFHUIFYFKEGEN-QMMMGPOBSA-N 1 0 231.093 1.010 10 0 BDAERO Cc1cc(-c2cnn(C)c2)ccc1C[NH3+] ZINC000395423089 362575142 /nfs/dbraw/zinc/57/51/42/362575142.db2.gz KTVBBMWVEVQWNS-UHFFFAOYSA-N 1 0 201.273 1.854 10 0 BDAERO CCOc1ccc(C[C@H](C[NH3+])CO)cc1 ZINC000011978545 345096050 /nfs/dbraw/zinc/09/60/50/345096050.db2.gz FAKGSWWTXCYDOL-LLVKDONJSA-N 1 0 209.289 1.195 10 0 BDAERO CCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155685894 345096094 /nfs/dbraw/zinc/09/60/94/345096094.db2.gz LZVZUZISHAHOIH-QWRGUYRKSA-N 1 0 212.337 1.631 10 0 BDAERO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)(F)F ZINC000238658005 345103417 /nfs/dbraw/zinc/10/34/17/345103417.db2.gz PDAKNPDKFNGWMK-KVSKUHBBSA-N 1 0 222.210 1.029 10 0 BDAERO CSCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155813021 345106747 /nfs/dbraw/zinc/10/67/47/345106747.db2.gz VTYMQUFRSVZRHU-MNOVXSKESA-N 1 0 244.404 1.584 10 0 BDAERO CC(C)c1nnc(C[NH2+][C@H](CO)C(C)C)n1C ZINC000156298235 345144725 /nfs/dbraw/zinc/14/47/25/345144725.db2.gz PZDUFVBJHIINAM-SNVBAGLBSA-N 1 0 240.351 1.045 10 0 BDAERO Cc1ccc(C2=C[C@H](O)C[NH2+]C2)cc1F ZINC000675076308 537890487 /nfs/dbraw/zinc/89/04/87/537890487.db2.gz AWKVEHOFKNYABG-NSHDSACASA-N 1 0 207.248 1.482 10 0 BDAERO COc1cc(C)nc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999011 345199001 /nfs/dbraw/zinc/19/90/01/345199001.db2.gz OOKBIERIPDMKPH-PWSUYJOCSA-N 1 0 249.358 1.425 10 0 BDAERO C[C@H]1CN(C(=O)COC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000158583784 345351820 /nfs/dbraw/zinc/35/18/20/345351820.db2.gz MVQVAZMQWQGYBI-QWRGUYRKSA-N 1 0 242.363 1.210 10 0 BDAERO NNc1nc(NCC(F)F)c(Cl)c[nH+]1 ZINC000148244057 345383817 /nfs/dbraw/zinc/38/38/17/345383817.db2.gz LRNABAFUCQIDPE-UHFFFAOYSA-N 1 0 223.614 1.093 10 0 BDAERO C[C@@H]1OCC[C@H]1[N@H+](C)[C@@H]1CCCC(=O)C1 ZINC000134731820 345420788 /nfs/dbraw/zinc/42/07/88/345420788.db2.gz NXLIHPOEHGGNNZ-HOSYDEDBSA-N 1 0 211.305 1.607 10 0 BDAERO CCCc1nnc(NCC[NH+](C)C)s1 ZINC000090998396 345579231 /nfs/dbraw/zinc/57/92/31/345579231.db2.gz KVVTXOMPOQFMBI-UHFFFAOYSA-N 1 0 214.338 1.464 10 0 BDAERO FC(F)(F)[C@@H]1CCCN(C2C[NH2+]C2)C1 ZINC000054931567 345564991 /nfs/dbraw/zinc/56/49/91/345564991.db2.gz QCQGVYHANROWLM-SSDOTTSWSA-N 1 0 208.227 1.233 10 0 BDAERO Cc1ccc([C@H](C)[NH3+])c(O[C@@H]2CCOC2=O)c1 ZINC000104338811 178884794 /nfs/dbraw/zinc/88/47/94/178884794.db2.gz DHBVCMQJAXPFSH-GXSJLCMTSA-N 1 0 235.283 1.709 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)C[C@H](C)[NH3+])o1 ZINC000037476536 178885832 /nfs/dbraw/zinc/88/58/32/178885832.db2.gz GBMLKOKUYINBKT-CBAPKCEASA-N 1 0 210.277 1.503 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[NH2+]2)o1 ZINC000035222719 178887347 /nfs/dbraw/zinc/88/73/47/178887347.db2.gz DVKDNDWMUNJIIC-VHSXEESVSA-N 1 0 222.288 1.517 10 0 BDAERO C[C@H](c1nccs1)[N@@H+]1CCC[C@H]1CO ZINC000253604997 345692268 /nfs/dbraw/zinc/69/22/68/345692268.db2.gz BJUALOMMTRPFFF-BDAKNGLRSA-N 1 0 212.318 1.661 10 0 BDAERO C[C@H]1CN([C@@H]2CCCC(=O)C2)CCC1=O ZINC000229542509 345718985 /nfs/dbraw/zinc/71/89/85/345718985.db2.gz HTQAWHBRIJZICP-VHSXEESVSA-N 1 0 209.289 1.409 10 0 BDAERO Cc1nccnc1N[C@H]1CC[C@H]([NH3+])CC1 ZINC000257354321 345774926 /nfs/dbraw/zinc/77/49/26/345774926.db2.gz XBFGIHCHCAJOQZ-MGCOHNPYSA-N 1 0 206.293 1.467 10 0 BDAERO C[C@H]1CCn2cc([C@@H]3CCC[NH2+]C3)nc2C1 ZINC000258176163 345781084 /nfs/dbraw/zinc/78/10/84/345781084.db2.gz DZQRCSTZIUNKGO-WDEREUQCSA-N 1 0 219.332 1.932 10 0 BDAERO C[C@H](C[NH3+])CNc1ccncc1Br ZINC000160027528 345787519 /nfs/dbraw/zinc/78/75/19/345787519.db2.gz GNJAGKSWKJSQFO-SSDOTTSWSA-N 1 0 244.136 1.851 10 0 BDAERO CC[N@@H+]1CC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000140983517 345859378 /nfs/dbraw/zinc/85/93/78/345859378.db2.gz UVPONOHURLDKRI-JTQLQIEISA-N 1 0 244.294 1.377 10 0 BDAERO Cn1cc(-c2ccc(C[NH3+])c(F)c2)nn1 ZINC000221219622 345863048 /nfs/dbraw/zinc/86/30/48/345863048.db2.gz ZJYNTSCQPCPWMC-UHFFFAOYSA-N 1 0 206.224 1.080 10 0 BDAERO COc1ccc2c(c1)C[C@@H](C[NH2+]CCCO)CC2 ZINC000034522816 345830783 /nfs/dbraw/zinc/83/07/83/345830783.db2.gz JOUAHVGWFKASLO-LBPRGKRZSA-N 1 0 249.354 1.772 10 0 BDAERO COc1ccc2c(c1)CC[NH2+][C@@H]2CN1CCCC1 ZINC000034426613 345833072 /nfs/dbraw/zinc/83/30/72/345833072.db2.gz KJDSVBORJOCQLH-OAHLLOKOSA-N 1 0 246.354 1.978 10 0 BDAERO NC[C@H]([NH3+])C[C@@H]1CCc2ccccc2C1 ZINC000169191787 345838963 /nfs/dbraw/zinc/83/89/63/345838963.db2.gz OVTZQVVSWMGEDH-ZWNOBZJWSA-N 1 0 204.317 1.468 10 0 BDAERO Cc1ccc([S@](=O)CCC[NH3+])c(C)c1 ZINC000040954734 178934270 /nfs/dbraw/zinc/93/42/70/178934270.db2.gz QPJKGTUEWYLZSS-AWEZNQCLSA-N 1 0 211.330 1.760 10 0 BDAERO Cc1cc(NCC[NH3+])c(Br)cc1N ZINC000235774364 345868259 /nfs/dbraw/zinc/86/82/59/345868259.db2.gz VKWYEWZELWEPAQ-UHFFFAOYSA-N 1 0 244.136 1.710 10 0 BDAERO C/C(=C\c1c(Br)c(C)nn1C)C[NH3+] ZINC000235778957 345868675 /nfs/dbraw/zinc/86/86/75/345868675.db2.gz RNEIQNKVJBTEOO-GQCTYLIASA-N 1 0 244.136 1.853 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000082790926 537922101 /nfs/dbraw/zinc/92/21/01/537922101.db2.gz JVXUCADGPIMUOZ-ZJUUUORDSA-N 1 0 219.350 1.327 10 0 BDAERO CCCCn1c(CC[NH3+])nc2cccnc21 ZINC000082536860 345909166 /nfs/dbraw/zinc/90/91/66/345909166.db2.gz OSAXIZWHTHDIDG-UHFFFAOYSA-N 1 0 218.304 1.733 10 0 BDAERO C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H](CO)C1 ZINC000082946150 345913624 /nfs/dbraw/zinc/91/36/24/345913624.db2.gz JIBJNFSQKLPWIJ-JSGCOSHPSA-N 1 0 219.328 1.932 10 0 BDAERO Cc1sccc1[C@H]([NH3+])CC1OCCO1 ZINC000235818238 345924492 /nfs/dbraw/zinc/92/44/92/345924492.db2.gz YXLSPDVXWQGIFP-SECBINFHSA-N 1 0 213.302 1.819 10 0 BDAERO Cc1ccc(SC2COC2)c(C[NH3+])c1 ZINC000235895499 345958701 /nfs/dbraw/zinc/95/87/01/345958701.db2.gz PXNQMBUVMYMRJG-UHFFFAOYSA-N 1 0 209.314 1.945 10 0 BDAERO C[NH2+]Cc1cn(C)nc1-c1ccsc1 ZINC000086443130 345935886 /nfs/dbraw/zinc/93/58/86/345935886.db2.gz BPMRFWVSNULZAS-UHFFFAOYSA-N 1 0 207.302 1.868 10 0 BDAERO c1csc(COC[C@H]2CCCC[NH2+]2)n1 ZINC000087391738 345938196 /nfs/dbraw/zinc/93/81/96/345938196.db2.gz PANPMYPGTSUOIA-SECBINFHSA-N 1 0 212.318 1.802 10 0 BDAERO Cc1nc(NCc2ccco2)cc(N)[nH+]1 ZINC000087806789 345941987 /nfs/dbraw/zinc/94/19/87/345941987.db2.gz LDQRHKMWMKJKBE-UHFFFAOYSA-N 1 0 204.233 1.572 10 0 BDAERO FC1(C[NH2+]C[C@@H]2CCCn3ccnc32)CC1 ZINC000381479780 346032140 /nfs/dbraw/zinc/03/21/40/346032140.db2.gz CKBAWFXPVMIVOH-JTQLQIEISA-N 1 0 223.295 1.852 10 0 BDAERO Cc1ccc2n1CCN(C(=O)C[NH2+]C1CC1)[C@@H]2C ZINC000037798452 178972326 /nfs/dbraw/zinc/97/23/26/178972326.db2.gz VJYRHOWTRBOYJN-LLVKDONJSA-N 1 0 247.342 1.452 10 0 BDAERO CCOC(=O)[C@H](O)C1=CC(C)(C)[NH2+]C(C)(C)C1 ZINC000675054556 537947162 /nfs/dbraw/zinc/94/71/62/537947162.db2.gz VZCKJCFQZXFZEO-SNVBAGLBSA-N 1 0 241.331 1.387 10 0 BDAERO O[C@@]1(C[C@@H]2CO2)CC[N@H+](Cc2ccccc2)C1 ZINC000669372685 537950281 /nfs/dbraw/zinc/95/02/81/537950281.db2.gz WIBUMQDQPBBTBE-ZIAGYGMSSA-N 1 0 233.311 1.412 10 0 BDAERO C[C@H]1C[N@H+](C[C@@H]2CCCC2=O)CCCO1 ZINC000061934006 346177279 /nfs/dbraw/zinc/17/72/79/346177279.db2.gz KQYNMLJHCCFDBY-QWRGUYRKSA-N 1 0 211.305 1.466 10 0 BDAERO CCc1nn(C)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245641846 537953869 /nfs/dbraw/zinc/95/38/69/537953869.db2.gz DROCKZIQVVOCLK-ZDUSSCGKSA-N 1 0 248.374 1.263 10 0 BDAERO F[C@H](Cc1nccs1)[C@@H]1CCC[NH2+]1 ZINC000236162213 346203778 /nfs/dbraw/zinc/20/37/78/346203778.db2.gz SQVURYSQOXOXQJ-SFYZADRCSA-N 1 0 200.282 1.776 10 0 BDAERO C[N@@H+]1CC[C@@](O)(c2cccc(Cl)c2)C1 ZINC000061986784 346186486 /nfs/dbraw/zinc/18/64/86/346186486.db2.gz LMJKTIZEJGDOSB-NSHDSACASA-N 1 0 211.692 1.863 10 0 BDAERO C1C[NH2+]C[C@H](SC2CCOCC2)C1 ZINC000062056268 346194531 /nfs/dbraw/zinc/19/45/31/346194531.db2.gz LRQKGHMVARXVNQ-SNVBAGLBSA-N 1 0 201.335 1.651 10 0 BDAERO COc1ccccc1[C@H]1COCCN1C ZINC000148490045 346234326 /nfs/dbraw/zinc/23/43/26/346234326.db2.gz GJSJPIXDLWUTPT-LLVKDONJSA-N 1 0 207.273 1.698 10 0 BDAERO [NH3+]CCNc1cccc(Br)c1F ZINC000236268961 346217781 /nfs/dbraw/zinc/21/77/81/346217781.db2.gz XZMFUCJYIRIFCN-UHFFFAOYSA-N 1 0 233.084 1.959 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000381514718 346226113 /nfs/dbraw/zinc/22/61/13/346226113.db2.gz ZQEWVKNEJMZYBI-JOYOIKCWSA-N 1 0 243.709 1.992 10 0 BDAERO Cc1cccc(=O)n1C[C@H]1CCCC[NH2+]1 ZINC000043494337 179003159 /nfs/dbraw/zinc/00/31/59/179003159.db2.gz JXQJUJHEIGVXFB-LLVKDONJSA-N 1 0 206.289 1.299 10 0 BDAERO C[C@H](C[NH3+])[C@@](C)(O)COCc1ccccc1 ZINC000669377589 537964858 /nfs/dbraw/zinc/96/48/58/537964858.db2.gz ULSKZTOGQCVRMH-YPMHNXCESA-N 1 0 223.316 1.549 10 0 BDAERO CCC[C@@H](C[NH3+])C1(O)CC(SC)C1 ZINC000669377760 537966479 /nfs/dbraw/zinc/96/64/79/537966479.db2.gz HLIKQSGKPPCNDS-IDKOKCKLSA-N 1 0 203.351 1.618 10 0 BDAERO CCCCn1ncc2c1nc(C)[nH+]c2NN ZINC000669377526 537965047 /nfs/dbraw/zinc/96/50/47/537965047.db2.gz SAKVRLAHAPIILW-UHFFFAOYSA-N 1 0 220.280 1.220 10 0 BDAERO C[C@@H](C[NH3+])[C@@H](O)c1ccncc1Cl ZINC000669377505 537965059 /nfs/dbraw/zinc/96/50/59/537965059.db2.gz RRYRMKVTPGZNHG-IMTBSYHQSA-N 1 0 200.669 1.363 10 0 BDAERO Cc1cccc(C)c1N1C[C@@H]([NH3+])CC1=O ZINC000035679879 179039841 /nfs/dbraw/zinc/03/98/41/179039841.db2.gz SIBROWQADOHSED-JTQLQIEISA-N 1 0 204.273 1.367 10 0 BDAERO Cc1cccc(C)c1O[C@H](CCO)C1=[NH+]CCN1 ZINC000027710656 179047449 /nfs/dbraw/zinc/04/74/49/179047449.db2.gz WQKARHFHTDHFET-GFCCVEGCSA-N 1 0 248.326 1.435 10 0 BDAERO Cc1cccc(C)c1OC[C@@](C)(O)C[NH3+] ZINC000019668017 179047557 /nfs/dbraw/zinc/04/75/57/179047557.db2.gz GSGXJAXAQNOPDJ-LBPRGKRZSA-N 1 0 209.289 1.392 10 0 BDAERO Cc1cccc(CC(=O)N[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000063172211 179052429 /nfs/dbraw/zinc/05/24/29/179052429.db2.gz WZIRZJFTXRNJLH-CHWSQXEVSA-N 1 0 232.327 1.534 10 0 BDAERO O=C1NCC[C@@H]([NH2+]C2CC2)c2ccccc21 ZINC000669378578 537969709 /nfs/dbraw/zinc/96/97/09/537969709.db2.gz HPCQFPLLJMCICZ-GFCCVEGCSA-N 1 0 216.284 1.613 10 0 BDAERO Cc1cccc(CCCN2CC[NH2+]CC2)c1 ZINC000019801367 179053791 /nfs/dbraw/zinc/05/37/91/179053791.db2.gz WHMWQXBBXOTITF-UHFFFAOYSA-N 1 0 218.344 1.833 10 0 BDAERO CC(C)OCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161589252 346339070 /nfs/dbraw/zinc/33/90/70/346339070.db2.gz LUIHKKUNTAYREO-NSHDSACASA-N 1 0 201.310 1.116 10 0 BDAERO CCC[N@H+](CC)C[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669379021 537973708 /nfs/dbraw/zinc/97/37/08/537973708.db2.gz SSNYSBNVKTWPOB-MNOVXSKESA-N 1 0 228.336 1.029 10 0 BDAERO CCOC(=O)CC[N@@H+]1CCC[C@H]1CCCO ZINC000052760854 346372929 /nfs/dbraw/zinc/37/29/29/346372929.db2.gz UFKNJCGUHWWAIJ-NSHDSACASA-N 1 0 229.320 1.177 10 0 BDAERO CCOC(=O)c1c(C)cc(C[NH3+])cc1C ZINC000669379222 537976597 /nfs/dbraw/zinc/97/65/97/537976597.db2.gz XSCUEOTVPZAUSZ-UHFFFAOYSA-N 1 0 207.273 1.939 10 0 BDAERO CC1(C)CCC[N@@H+]1CC(=O)[C@H]1CCOC1 ZINC000158248349 346391717 /nfs/dbraw/zinc/39/17/17/346391717.db2.gz IYQLGZFXXZOZCO-JTQLQIEISA-N 1 0 211.305 1.466 10 0 BDAERO CC(C)[NH2+]CCN(C)C(=O)N[C@@H](C)C(C)C ZINC000669379208 537975583 /nfs/dbraw/zinc/97/55/83/537975583.db2.gz XDYSGIOCDMWYDM-NSHDSACASA-N 1 0 229.368 1.670 10 0 BDAERO CCC[C@H](C)C(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669379257 537977560 /nfs/dbraw/zinc/97/75/60/537977560.db2.gz ASPIUKRUWBDNIO-GZMMTYOYSA-N 1 0 236.306 1.911 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC2)C1 ZINC000246409278 537979612 /nfs/dbraw/zinc/97/96/12/537979612.db2.gz LWOJPMLMXOTGKY-GHMZBOCLSA-N 1 0 225.336 1.130 10 0 BDAERO CC(C)CNC(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669379505 537979639 /nfs/dbraw/zinc/97/96/39/537979639.db2.gz DGVWJNCTUAJYEV-SNVBAGLBSA-N 1 0 237.294 1.314 10 0 BDAERO Cc1cccc(C[NH2+]C(C)(C)C(N)=O)c1C ZINC000043314289 179088152 /nfs/dbraw/zinc/08/81/52/179088152.db2.gz KVRMFMMRNNKSHQ-UHFFFAOYSA-N 1 0 220.316 1.657 10 0 BDAERO CC[C@@H]1CS[C@]2(CC[NH2+]C[C@@H]2C)N1 ZINC000229565681 346437815 /nfs/dbraw/zinc/43/78/15/346437815.db2.gz TWKRMKQMJBOARZ-AEJSXWLSSA-N 1 0 200.351 1.427 10 0 BDAERO Cc1cccc(CN2C[C@@H]([NH3+])CC2=O)c1 ZINC000048266386 179083683 /nfs/dbraw/zinc/08/36/83/179083683.db2.gz PMYWLEQPJWFVNI-NSHDSACASA-N 1 0 204.273 1.055 10 0 BDAERO CCCCNC(=O)N(C)CC[NH2+]C(C)C ZINC000669379410 537978940 /nfs/dbraw/zinc/97/89/40/537978940.db2.gz ZVFXOQBRNNTTAB-UHFFFAOYSA-N 1 0 215.341 1.426 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)NCC(C)(C)C)C1 ZINC000170833806 346456343 /nfs/dbraw/zinc/45/63/43/346456343.db2.gz UWWZFLYFHDXZQA-JTQLQIEISA-N 1 0 227.352 1.378 10 0 BDAERO OCc1cccc(N2CCSCC2)n1 ZINC000051041778 346460560 /nfs/dbraw/zinc/46/05/60/346460560.db2.gz QBPFQSRCULVALC-UHFFFAOYSA-N 1 0 210.302 1.127 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)O1 ZINC000380151063 346502402 /nfs/dbraw/zinc/50/24/02/346502402.db2.gz INCVDOIHVIABJD-LZQZFOIKSA-N 1 0 240.347 1.057 10 0 BDAERO CC1(C(=O)N2CCC[NH2+]C3(CC3)C2)CC1 ZINC000725241655 537982337 /nfs/dbraw/zinc/98/23/37/537982337.db2.gz LGELBUCNYVSQMS-UHFFFAOYSA-N 1 0 208.305 1.141 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2C[C@H]2CO)ccc1F ZINC000380166784 346492707 /nfs/dbraw/zinc/49/27/07/346492707.db2.gz FEXNVLQZRDSGKF-CMPLNLGQSA-N 1 0 209.264 1.605 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CC2CCC1CC2 ZINC000381634593 346495595 /nfs/dbraw/zinc/49/55/95/346495595.db2.gz NTIHOCGXQLRUSQ-CXQJBGSLSA-N 1 0 222.332 1.387 10 0 BDAERO C[C@](F)(C[C@@H]1COCC[NH2+]1)C1CCC1 ZINC000161702212 346497031 /nfs/dbraw/zinc/49/70/31/346497031.db2.gz SWXVLRREHGOOQX-MNOVXSKESA-N 1 0 201.285 1.893 10 0 BDAERO C[NH2+]Cc1nnc([C@H]2CO[C@@H](C)C2)s1 ZINC000161859647 346500812 /nfs/dbraw/zinc/50/08/12/346500812.db2.gz OHEIFZOYVRREFF-NKWVEPMBSA-N 1 0 213.306 1.150 10 0 BDAERO OC1CCN([C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241812 537981854 /nfs/dbraw/zinc/98/18/54/537981854.db2.gz QWNAINPHELQFCE-NWDGAFQWSA-N 1 0 224.348 1.070 10 0 BDAERO CC/C=C\CCN1CC[NH+](C[C@@H](O)CC)CC1 ZINC000342254578 346557855 /nfs/dbraw/zinc/55/78/55/346557855.db2.gz WHQRYFIOAHJIJO-GXMNPTEKSA-N 1 0 240.391 1.731 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000300373981 346531088 /nfs/dbraw/zinc/53/10/88/346531088.db2.gz BDDAIMKUEFZJHB-WOPDTQHZSA-N 1 0 223.320 1.022 10 0 BDAERO C[C@H]1CC[C@]([NH3+])(C(N)=O)c2ccccc21 ZINC000163869424 346580348 /nfs/dbraw/zinc/58/03/48/346580348.db2.gz VOOZSOLMXHIVOI-QPUJVOFHSA-N 1 0 204.273 1.223 10 0 BDAERO C[C@@H]1CSC(N[C@@]2(C)CCOC2)=[NH+]1 ZINC000164054400 346588367 /nfs/dbraw/zinc/58/83/67/346588367.db2.gz QDRFAJDUNDYETA-APPZFPTMSA-N 1 0 200.307 1.246 10 0 BDAERO Cc1cccc(N2C[C@@H]([NH3+])CC2=O)c1C ZINC000020383235 179123836 /nfs/dbraw/zinc/12/38/36/179123836.db2.gz LXQVHUUDHCAZIX-JTQLQIEISA-N 1 0 204.273 1.367 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1cccs1)N1CCCO1 ZINC000164182717 346594774 /nfs/dbraw/zinc/59/47/74/346594774.db2.gz HZCWFPUOGGSMGN-WPRPVWTQSA-N 1 0 212.318 1.774 10 0 BDAERO CC(C)[C@H]([NH3+])[C@H](CO)OCc1ccccc1 ZINC000164219104 346596571 /nfs/dbraw/zinc/59/65/71/346596571.db2.gz LXBWBDHCULXZDS-STQMWFEESA-N 1 0 223.316 1.547 10 0 BDAERO Cc1cccc(NC(=O)N[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000063174532 179136684 /nfs/dbraw/zinc/13/66/84/179136684.db2.gz AVPHXDBKUCJIQS-RYUDHWBXSA-N 1 0 233.315 1.996 10 0 BDAERO C[C@](O)(C[NH3+])Cc1cc(F)cc(F)c1 ZINC000164790823 346626104 /nfs/dbraw/zinc/62/61/04/346626104.db2.gz URGYQTLBFWHFMN-SNVBAGLBSA-N 1 0 201.216 1.217 10 0 BDAERO [NH3+]Cc1cn(Cc2c(F)cccc2F)nn1 ZINC000166691168 346686752 /nfs/dbraw/zinc/68/67/52/346686752.db2.gz HGCOJGMUFJCHER-UHFFFAOYSA-N 1 0 224.214 1.063 10 0 BDAERO CC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C[NH3+] ZINC000669380088 537985549 /nfs/dbraw/zinc/98/55/49/537985549.db2.gz IKFZILBCICFSNO-SDDRHHMPSA-N 1 0 210.321 1.372 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2CC(O)C2)[C@@H]2CCO[C@H]21 ZINC000228098776 346790770 /nfs/dbraw/zinc/79/07/70/346790770.db2.gz JGTVTKGEEWAMKP-JEDMMJBGSA-N 1 0 225.332 1.160 10 0 BDAERO Cc1cccc(OCC[C@H](C[NH3+])N(C)C)c1 ZINC000019663664 179169921 /nfs/dbraw/zinc/16/99/21/179169921.db2.gz MBENTOKYEPZJDU-GFCCVEGCSA-N 1 0 222.332 1.653 10 0 BDAERO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2C[C@H]2CO)C1 ZINC000378661851 346800191 /nfs/dbraw/zinc/80/01/91/346800191.db2.gz CARTVVNQRQXKKO-ZBAXXZLZSA-N 1 0 209.333 1.949 10 0 BDAERO Cc1cccc(OCC[C@H]([NH3+])CO)c1C ZINC000071511943 179169144 /nfs/dbraw/zinc/16/91/44/179169144.db2.gz RXPUSOAQJLBGTF-NSHDSACASA-N 1 0 209.289 1.392 10 0 BDAERO Cc1cccc(O[C@@H]2COCC[C@@H]2[NH3+])c1C ZINC000036305696 179174634 /nfs/dbraw/zinc/17/46/34/179174634.db2.gz BMSKRKHOMUHNLG-WCQYABFASA-N 1 0 221.300 1.798 10 0 BDAERO CC(C)(C)OC(=O)NCC1CC(CC[NH3+])C1 ZINC000725242658 537986872 /nfs/dbraw/zinc/98/68/72/537986872.db2.gz QSQDMGRADSDXKB-UHFFFAOYSA-N 1 0 228.336 1.886 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])n2cccn2)c1 ZINC000042967721 179184995 /nfs/dbraw/zinc/18/49/95/179184995.db2.gz BMMNNOFSRGVLJL-GFCCVEGCSA-N 1 0 201.273 1.740 10 0 BDAERO [NH3+][C@@H]1CC[C@H]([S@](=O)c2cccs2)C1 ZINC000250088875 362785756 /nfs/dbraw/zinc/78/57/56/362785756.db2.gz NWYSHBXTKHBCCS-UJVNDKKSSA-N 1 0 215.343 1.736 10 0 BDAERO Cl/C=C/CN1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000221821337 347222871 /nfs/dbraw/zinc/22/28/71/347222871.db2.gz ZXEOCLQAVIMOLO-BMRYVVEKSA-N 1 0 200.713 1.423 10 0 BDAERO CCO[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000149471255 347235285 /nfs/dbraw/zinc/23/52/85/347235285.db2.gz YIWVMHCEGJARCH-QWHCGFSZSA-N 1 0 220.316 1.235 10 0 BDAERO CC[S@](=O)[C@@H]1[C@H](C)C[C@@H](C)C[C@@H]1[NH2+]C ZINC000250248926 362796732 /nfs/dbraw/zinc/79/67/32/362796732.db2.gz QZIRJVALMGTGGT-QEGBUVANSA-N 1 0 217.378 1.778 10 0 BDAERO Cn1cnc2c1[C@H](CC(F)(F)F)[NH2+]CC2 ZINC000725242799 537987814 /nfs/dbraw/zinc/98/78/14/537987814.db2.gz UFLALWIOVVNKMV-ZETCQYMHSA-N 1 0 219.210 1.559 10 0 BDAERO Cc1cccc2c1nc1n(c2=O)CC[C@@H]1[NH3+] ZINC000072266472 179208604 /nfs/dbraw/zinc/20/86/04/179208604.db2.gz NQRPMBCRAJIBKZ-VIFPVBQESA-N 1 0 215.256 1.108 10 0 BDAERO CO[C@H]([C@@H](C)[NH2+]CC(C)(C)O)C1CC1 ZINC000388240842 347258997 /nfs/dbraw/zinc/25/89/97/347258997.db2.gz QRBZLSGVYFVLNP-PSASIEDQSA-N 1 0 201.310 1.160 10 0 BDAERO c1ccc(COCCCCN[C@H]2CC[NH2+]C2)cc1 ZINC000390588250 259394812 /nfs/dbraw/zinc/39/48/12/259394812.db2.gz OQPMDJKPGOMGNY-HNNXBMFYSA-N 1 0 248.370 1.935 10 0 BDAERO CCCC[C@H](C)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000300893174 347274218 /nfs/dbraw/zinc/27/42/18/347274218.db2.gz HVRCCZUBGLMVTP-GARJFASQSA-N 1 0 212.337 1.618 10 0 BDAERO CCCC[C@H](C)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000300893171 347274407 /nfs/dbraw/zinc/27/44/07/347274407.db2.gz HVRCCZUBGLMVTP-DCAQKATOSA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)(C)[S@](=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000250598938 362811712 /nfs/dbraw/zinc/81/17/12/362811712.db2.gz VXLOTHLDGMXIKD-VYUIOLGVSA-N 1 0 203.351 1.804 10 0 BDAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CC[C@H](O)C2)c1 ZINC000061709830 179203142 /nfs/dbraw/zinc/20/31/42/179203142.db2.gz RSVUZWMDTOOFDM-XBFCOCLRSA-N 1 0 234.343 1.450 10 0 BDAERO O=C1CCC[C@]2(C1)[NH2+]CCc1ccoc12 ZINC000725242854 537989056 /nfs/dbraw/zinc/98/90/56/537989056.db2.gz AARNJARGPUEEMN-GFCCVEGCSA-N 1 0 205.257 1.764 10 0 BDAERO Cc1cccc2c1[S@@](=O)CCC[C@H]2[NH3+] ZINC000040977677 179225479 /nfs/dbraw/zinc/22/54/79/179225479.db2.gz KBOZLKPYMGDABD-QMTHXVAHSA-N 1 0 209.314 1.896 10 0 BDAERO O=C1Nc2ccccc2C[C@@H]1C1CC[NH2+]CC1 ZINC000118313706 347363869 /nfs/dbraw/zinc/36/38/69/347363869.db2.gz AUQPCILBQAUQBW-GFCCVEGCSA-N 1 0 230.311 1.797 10 0 BDAERO Cc1cccc2c1C[C@H](C1=[NH+]CCN1)O2 ZINC000027650270 179218842 /nfs/dbraw/zinc/21/88/42/179218842.db2.gz FYOYGWMLVZUIST-LLVKDONJSA-N 1 0 202.257 1.300 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1[S@](=O)C1CCCCC1 ZINC000250865771 362824650 /nfs/dbraw/zinc/82/46/50/362824650.db2.gz RGEJVSRBULOYGW-JTNHKYCSSA-N 1 0 215.362 1.948 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)C1CCC1 ZINC000193252371 347394350 /nfs/dbraw/zinc/39/43/50/347394350.db2.gz MEKJKRLKSFJZNW-LBPRGKRZSA-N 1 0 215.337 1.648 10 0 BDAERO C[C@@H](C(N)=S)[N@H+](C)[C@H]1CCSC1 ZINC000251079050 362836942 /nfs/dbraw/zinc/83/69/42/362836942.db2.gz VHFVSPSQKZYHKJ-BQBZGAKWSA-N 1 0 204.364 1.098 10 0 BDAERO Cc1cccc2sc([C@@H]([NH3+])CCO)nc21 ZINC000083039263 179234052 /nfs/dbraw/zinc/23/40/52/179234052.db2.gz RQDSLFZLFJTMLG-QMMMGPOBSA-N 1 0 222.313 1.987 10 0 BDAERO C[C@H](C[NH+]1C[C@@H](C)O[C@H](C)C1)C(N)=S ZINC000036677599 347435655 /nfs/dbraw/zinc/43/56/55/347435655.db2.gz QQVMAFPDUYOYNR-IWSPIJDZSA-N 1 0 216.350 1.018 10 0 BDAERO C[C@@H](CCC[NH3+])Nc1ncnc2c1CCC2 ZINC000087362235 365882835 /nfs/dbraw/zinc/88/28/35/365882835.db2.gz RONUIYXNVAACOV-VIFPVBQESA-N 1 0 220.320 1.505 10 0 BDAERO Cc1ccccc1-c1nnc(CCC[NH3+])o1 ZINC000011585910 179239299 /nfs/dbraw/zinc/23/92/99/179239299.db2.gz NYNVAMSNOPSUNO-UHFFFAOYSA-N 1 0 217.272 1.936 10 0 BDAERO Cc1ccccc1CC(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038049397 179259990 /nfs/dbraw/zinc/25/99/90/179259990.db2.gz AFWXOUPAAMUUGW-KGLIPLIRSA-N 1 0 246.354 1.924 10 0 BDAERO [NH3+][C@@H](c1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000149991699 347584338 /nfs/dbraw/zinc/58/43/38/347584338.db2.gz UFMWBFGWVGQEFY-BDAKNGLRSA-N 1 0 231.342 1.183 10 0 BDAERO Cc1ccccc1CCN1CC[NH2+][C@H](C)C1 ZINC000077327323 179264009 /nfs/dbraw/zinc/26/40/09/179264009.db2.gz MBSYFVZDUALTGN-CYBMUJFWSA-N 1 0 218.344 1.831 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2cc(F)ncn2)C1 ZINC000150003088 347586255 /nfs/dbraw/zinc/58/62/55/347586255.db2.gz CHDWDGIJQIUXCB-QMMMGPOBSA-N 1 0 210.256 1.122 10 0 BDAERO CCC(=O)N1CC[C@@H]2CCCC[C@H]2[C@@H]1C[NH3+] ZINC000669380766 537991894 /nfs/dbraw/zinc/99/18/94/537991894.db2.gz WCLONIBXBWHQEU-TUAOUCFPSA-N 1 0 224.348 1.762 10 0 BDAERO CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000390660302 259397101 /nfs/dbraw/zinc/39/71/01/259397101.db2.gz RZPDKTDOVCLQDD-VHSXEESVSA-N 1 0 226.320 1.653 10 0 BDAERO Cc1ccccc1CN1C[C@@H]([NH3+])CC1=O ZINC000009280447 179276717 /nfs/dbraw/zinc/27/67/17/179276717.db2.gz CCZPHNVKEYHNRF-NSHDSACASA-N 1 0 204.273 1.055 10 0 BDAERO Cc1ccccc1COC(=O)CCC(=O)C[NH3+] ZINC000034017474 179286152 /nfs/dbraw/zinc/28/61/52/179286152.db2.gz JHBOYCJXRPPYIB-UHFFFAOYSA-N 1 0 235.283 1.346 10 0 BDAERO CCNc1ccc([C@H]2C[NH2+]CCN2)cc1 ZINC000669380813 537992849 /nfs/dbraw/zinc/99/28/49/537992849.db2.gz WZPYCUQDHZVIDL-GFCCVEGCSA-N 1 0 205.305 1.352 10 0 BDAERO Cc1ccccc1Cc1nnc(CC[NH3+])o1 ZINC000019733024 179292935 /nfs/dbraw/zinc/29/29/35/179292935.db2.gz XLABGTBLAIHIDV-UHFFFAOYSA-N 1 0 217.272 1.470 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C1CC1 ZINC000114933377 187383079 /nfs/dbraw/zinc/38/30/79/187383079.db2.gz PGMIXWFNIFTYIK-LLVKDONJSA-N 1 0 241.379 1.767 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])Cc1cnn(C)c1 ZINC000050542494 179324051 /nfs/dbraw/zinc/32/40/51/179324051.db2.gz JGAZAKJOBKNMAT-ZDUSSCGKSA-N 1 0 215.300 1.971 10 0 BDAERO COc1ccnc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000082592973 347957747 /nfs/dbraw/zinc/95/77/47/347957747.db2.gz TWTCLTXIUIMADM-SECBINFHSA-N 1 0 224.308 1.271 10 0 BDAERO [NH3+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000036881158 347961640 /nfs/dbraw/zinc/96/16/40/347961640.db2.gz HLCDQGOGDOQQAY-UHFFFAOYSA-N 1 0 244.294 1.553 10 0 BDAERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC(=O)NC1=O ZINC000049525500 179323284 /nfs/dbraw/zinc/32/32/84/179323284.db2.gz AVCVKNQHJRHCKO-KOLCDFICSA-N 1 0 232.283 1.061 10 0 BDAERO CCCC(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725244192 537996404 /nfs/dbraw/zinc/99/64/04/537996404.db2.gz PMUMRHULFQNFDK-UHFFFAOYSA-N 1 0 240.347 1.204 10 0 BDAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CC[C@H](O)C1 ZINC000061709868 179347417 /nfs/dbraw/zinc/34/74/17/179347417.db2.gz WTGNBOWSBSAQSB-OBJOEFQTSA-N 1 0 234.343 1.450 10 0 BDAERO Cc1c2c(ccc1C[NH3+])C(C)(C)C(=O)N2 ZINC000616570612 348066286 /nfs/dbraw/zinc/06/62/86/348066286.db2.gz NRMVKEYMOMOCAP-UHFFFAOYSA-N 1 0 204.273 1.683 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])N(CC(N)=O)C(C)C ZINC000043036998 179342511 /nfs/dbraw/zinc/34/25/11/179342511.db2.gz OWUOTTIUVGASPU-ZDUSSCGKSA-N 1 0 249.358 1.191 10 0 BDAERO Cc1ccccc1[C@H]([NH3+])c1cnn(C)c1 ZINC000026516995 179344232 /nfs/dbraw/zinc/34/42/32/179344232.db2.gz KMXKFJYTTZHBLF-GFCCVEGCSA-N 1 0 201.273 1.777 10 0 BDAERO CCC(=O)N1CC[C@H]2[C@@H](CCC[C@@H]2[NH3+])C1 ZINC000669382143 537997460 /nfs/dbraw/zinc/99/74/60/537997460.db2.gz HEFPVWKKDQLMSC-DCAQKATOSA-N 1 0 210.321 1.372 10 0 BDAERO Cc1cccnc1-c1ncc(C[C@@H](C)[NH3+])cn1 ZINC000054857562 179357442 /nfs/dbraw/zinc/35/74/42/179357442.db2.gz PATLQCWDAGWXPU-SNVBAGLBSA-N 1 0 228.299 1.737 10 0 BDAERO C/C=C\C(=O)N1CC[C@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616571051 348095298 /nfs/dbraw/zinc/09/52/98/348095298.db2.gz PAWPFJIVQQTICV-JYYSYOFASA-N 1 0 224.348 1.784 10 0 BDAERO [NH3+]C[C@@H](n1cccn1)C(F)(F)C(F)(F)F ZINC000616571523 348200041 /nfs/dbraw/zinc/20/00/41/348200041.db2.gz YRAYCCYMQSYGOO-RXMQYKEDSA-N 1 0 229.152 1.581 10 0 BDAERO CCSC1(CNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000595258519 348205704 /nfs/dbraw/zinc/20/57/04/348205704.db2.gz PEYYCQROAGTOHQ-JTQLQIEISA-N 1 0 242.388 1.388 10 0 BDAERO c1cnc(Cc2ccc3c(c2)CC[NH2+]CC3)cn1 ZINC000222079395 348208586 /nfs/dbraw/zinc/20/85/86/348208586.db2.gz INGKCZRMURFUCZ-UHFFFAOYSA-N 1 0 239.322 1.756 10 0 BDAERO Cc1cc(N[C@@H](C)CCCC[NH3+])n2ncnc2n1 ZINC000336789717 187393209 /nfs/dbraw/zinc/39/32/09/187393209.db2.gz JTJJHEMCLJCPJL-VIFPVBQESA-N 1 0 248.334 1.362 10 0 BDAERO CC(C)[NH2+]C[C@H](O)C(Cl)(Cl)Cl ZINC000669382587 538001800 /nfs/dbraw/zinc/00/18/00/538001800.db2.gz MMELUXAZEOTBHG-YFKPBYRVSA-N 1 0 220.527 1.716 10 0 BDAERO Cc1cccnc1NC(=O)[C@H]([NH3+])C(C)C ZINC000077488113 179392070 /nfs/dbraw/zinc/39/20/70/179392070.db2.gz DXJLAHMXRMVCAL-SECBINFHSA-N 1 0 207.277 1.312 10 0 BDAERO CC(=O)C[C@@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000251653264 362895288 /nfs/dbraw/zinc/89/52/88/362895288.db2.gz KBYGMBLXCCBYMF-KOLCDFICSA-N 1 0 213.321 1.853 10 0 BDAERO Cc1cccnc1[C@H]([NH3+])c1cncc(F)c1 ZINC000043616552 179397761 /nfs/dbraw/zinc/39/77/61/179397761.db2.gz MLEJOIKIZQJYOL-LLVKDONJSA-N 1 0 217.247 1.972 10 0 BDAERO CC(C)[C@@H](CN)[N@@H+]1CCCO[C@H](C)C1 ZINC000251665982 362896315 /nfs/dbraw/zinc/89/63/15/362896315.db2.gz HCFMWMXTLAOOQE-GHMZBOCLSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCSC[C@H]1C ZINC000251555517 362886239 /nfs/dbraw/zinc/88/62/39/362886239.db2.gz BLBRZVQULKZQMF-RNFRBKRXSA-N 1 0 204.364 1.098 10 0 BDAERO C[C@@H]1CCC[C@@]([NH2+]C2CC2)(C(N)=O)[C@H]1C ZINC000251563599 362886968 /nfs/dbraw/zinc/88/69/68/362886968.db2.gz BKZGJIOPQWZOIG-PTRXPTGYSA-N 1 0 210.321 1.419 10 0 BDAERO C[C@@H](O[C@H]1CC[NH2+]C[C@H]1C)C(F)(F)F ZINC000251572828 362887483 /nfs/dbraw/zinc/88/74/83/362887483.db2.gz CBLRTSIWALFHDE-PRJMDXOYSA-N 1 0 211.227 1.952 10 0 BDAERO C[C@@H]1CC[C@H]([C@H]2[NH2+]CC[C@H](C)S2)O1 ZINC000251645826 362894048 /nfs/dbraw/zinc/89/40/48/362894048.db2.gz FIWRMMVONAPWPW-RGOKHQFPSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]2CCCC[C@H]2[S@@](=O)C1 ZINC000251732533 362903363 /nfs/dbraw/zinc/90/33/63/362903363.db2.gz KJYSEOOMMMUVSV-PRFIWBCESA-N 1 0 201.335 1.286 10 0 BDAERO CN(c1nsnc1Cl)C1CC[NH+](C)CC1 ZINC000037372170 348356036 /nfs/dbraw/zinc/35/60/36/348356036.db2.gz VCRDQSODVDAZIT-UHFFFAOYSA-N 1 0 246.767 1.722 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2)CN1C ZINC000251723974 362900685 /nfs/dbraw/zinc/90/06/85/362900685.db2.gz CCYIGRAOZYNEAU-OUAUKWLOSA-N 1 0 214.378 1.564 10 0 BDAERO C[C@@H]([NH2+]CCn1cncn1)c1cccc(F)c1 ZINC000263992648 187397399 /nfs/dbraw/zinc/39/73/99/187397399.db2.gz DHPSYDGINBUBQX-SNVBAGLBSA-N 1 0 234.278 1.768 10 0 BDAERO C[C@@H]1CSCCN1[C@H](C[NH3+])C(F)(F)F ZINC000251814973 362927896 /nfs/dbraw/zinc/92/78/96/362927896.db2.gz ORAUWZWXRUKORC-RNFRBKRXSA-N 1 0 228.283 1.313 10 0 BDAERO CC[C@]1(C(=O)OC)O[C@@]1(C)CC[NH+](C)C ZINC000669382694 538005262 /nfs/dbraw/zinc/00/52/62/538005262.db2.gz JAZQCUHENSBYAJ-WDEREUQCSA-N 1 0 215.293 1.049 10 0 BDAERO CC[NH2+]C[C@@](O)(c1cccnc1)C(F)(F)F ZINC000669382928 538005650 /nfs/dbraw/zinc/00/56/50/538005650.db2.gz OQPSYKHMSXPRMR-SECBINFHSA-N 1 0 234.221 1.441 10 0 BDAERO CC(C)[NH2+]C[C@H](O)C(=O)c1ccc(F)cc1 ZINC000669382912 538005698 /nfs/dbraw/zinc/00/56/98/538005698.db2.gz NOYRYXINPZXBLT-NSHDSACASA-N 1 0 225.263 1.367 10 0 BDAERO Cc1ccc2c(c1)[C@@H]([NH2+]CCn1cncn1)CC2 ZINC000268804722 187398311 /nfs/dbraw/zinc/39/83/11/187398311.db2.gz HCQBBUXPLCTWEB-AWEZNQCLSA-N 1 0 242.326 1.864 10 0 BDAERO Cc1ccnc(N[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000061859166 179455758 /nfs/dbraw/zinc/45/57/58/179455758.db2.gz DZEFPESKYAXKPE-SNVBAGLBSA-N 1 0 206.293 1.291 10 0 BDAERO Cn1c2ccc(Br)cc2nc1C[NH3+] ZINC000037441279 348585788 /nfs/dbraw/zinc/58/57/88/348585788.db2.gz SPDNDDKUZOMHNH-UHFFFAOYSA-N 1 0 240.104 1.795 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc(C#N)cnn1 ZINC000396938163 350000243 /nfs/dbraw/zinc/00/02/43/350000243.db2.gz FRYCPUJQFPVODE-ZYHUDNBSSA-N 1 0 243.314 1.021 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1cc(C#N)cnn1 ZINC000396938161 350000182 /nfs/dbraw/zinc/00/01/82/350000182.db2.gz FRYCPUJQFPVODE-PWSUYJOCSA-N 1 0 243.314 1.021 10 0 BDAERO Cc1cnc(C)c(OC[C@@H]2CCC[NH2+]2)n1 ZINC000051865871 179582838 /nfs/dbraw/zinc/58/28/38/179582838.db2.gz OXKQDNAJMMVHDF-JTQLQIEISA-N 1 0 207.277 1.224 10 0 BDAERO Cc1cnc(C)c(OCC2CC[NH2+]CC2)n1 ZINC000051869664 179582849 /nfs/dbraw/zinc/58/28/49/179582849.db2.gz GTJZJDHQKYZFEO-UHFFFAOYSA-N 1 0 221.304 1.472 10 0 BDAERO COC(=O)c1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000597245958 348689193 /nfs/dbraw/zinc/68/91/93/348689193.db2.gz OHOQJXUVHLXLDB-UHFFFAOYSA-N 1 0 249.310 1.334 10 0 BDAERO Cc1cnc(Cl)nc1NCCC[NH+](C)C ZINC000082501480 179617991 /nfs/dbraw/zinc/61/79/91/179617991.db2.gz CVDFVQLPUYCTMB-UHFFFAOYSA-N 1 0 228.727 1.802 10 0 BDAERO C[N@@H+]1CCN2CC[C@](C)(O)c3cccc(c32)C1 ZINC000207772754 348820532 /nfs/dbraw/zinc/82/05/32/348820532.db2.gz LAKZLGUTIVXKGU-AWEZNQCLSA-N 1 0 232.327 1.550 10 0 BDAERO Cc1cnccc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335597182 179700949 /nfs/dbraw/zinc/70/09/49/179700949.db2.gz NPJJNASVCPVHHR-AAEUAGOBSA-N 1 0 247.342 1.394 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCSc1ccccc1 ZINC000054075610 348877934 /nfs/dbraw/zinc/87/79/34/348877934.db2.gz MVWDNSHYCHIEQX-SNVBAGLBSA-N 1 0 238.356 1.503 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1cccc(OC)c1 ZINC000054074536 348889995 /nfs/dbraw/zinc/88/99/95/348889995.db2.gz HRUJMUBNJYNGPR-NXEZZACHSA-N 1 0 236.315 1.480 10 0 BDAERO c1cnc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)cn1 ZINC000054301469 348978159 /nfs/dbraw/zinc/97/81/59/348978159.db2.gz FXNYEBGXVCQNBV-SECBINFHSA-N 1 0 245.286 1.069 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1cccnc1 ZINC000054305818 348979106 /nfs/dbraw/zinc/97/91/06/348979106.db2.gz PXWVRDLWCOOZKC-NSHDSACASA-N 1 0 233.315 1.088 10 0 BDAERO Cc1ccnc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054305802 348979162 /nfs/dbraw/zinc/97/91/62/348979162.db2.gz GWAUIYKOFXHNIP-LLVKDONJSA-N 1 0 233.315 1.718 10 0 BDAERO Cc1cccc(NC2(CO)CC[NH2+]CC2)c1 ZINC000040695510 187428293 /nfs/dbraw/zinc/42/82/93/187428293.db2.gz VXVCWPGPHMBYNK-UHFFFAOYSA-N 1 0 220.316 1.521 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000308887789 349025218 /nfs/dbraw/zinc/02/52/18/349025218.db2.gz UVRDCGVWQRTLNG-WRWORJQWSA-N 1 0 213.227 1.435 10 0 BDAERO C/C=C\C(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616573321 349069577 /nfs/dbraw/zinc/06/95/77/349069577.db2.gz RFUQXUDSOXUVGF-TZGMSPROSA-N 1 0 218.300 1.899 10 0 BDAERO C[C@@H](C(=O)N1CC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC000616573525 349071398 /nfs/dbraw/zinc/07/13/98/349071398.db2.gz ZEXMSBKZCBTCHL-NSHDSACASA-N 1 0 238.375 1.881 10 0 BDAERO CC(C)(C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000616573482 349071435 /nfs/dbraw/zinc/07/14/35/349071435.db2.gz YUKUVEMYCLSXBB-NXEZZACHSA-N 1 0 210.321 1.385 10 0 BDAERO OC[C@@]1(c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000616574663 349080673 /nfs/dbraw/zinc/08/06/73/349080673.db2.gz WDRSLRHNAYOUQB-LLVKDONJSA-N 1 0 213.227 1.188 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000055421504 349093999 /nfs/dbraw/zinc/09/39/99/349093999.db2.gz GOSOODPNXQBBCM-NWDGAFQWSA-N 1 0 234.343 1.732 10 0 BDAERO Cc1ccc(OCC[C@@H](O)CC[NH3+])c(C)c1 ZINC000041243094 187429150 /nfs/dbraw/zinc/42/91/50/187429150.db2.gz BZFRGFLMDIIONR-LBPRGKRZSA-N 1 0 223.316 1.782 10 0 BDAERO C=CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616571835 349061250 /nfs/dbraw/zinc/06/12/50/349061250.db2.gz SHTFTGFXQUJHQH-GHMZBOCLSA-N 1 0 210.321 1.313 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616571787 349061386 /nfs/dbraw/zinc/06/13/86/349061386.db2.gz NFXWJTZKIVFNKD-SRVKXCTJSA-N 1 0 224.348 1.776 10 0 BDAERO CCCCCOCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178519408 535088352 /nfs/dbraw/zinc/08/83/52/535088352.db2.gz ITOZGZCYORRCSK-NSHDSACASA-N 1 0 228.336 1.000 10 0 BDAERO O[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc(F)c1 ZINC000616578296 349124667 /nfs/dbraw/zinc/12/46/67/349124667.db2.gz LHABTUPKXPZABJ-RYUDHWBXSA-N 1 0 225.263 1.317 10 0 BDAERO CCC[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000616578793 349127434 /nfs/dbraw/zinc/12/74/34/349127434.db2.gz QCURNGHIGKOWQM-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO Cc1csc(N2CCC[C@H]2CC[NH3+])n1 ZINC000082373163 179782639 /nfs/dbraw/zinc/78/26/39/179782639.db2.gz BEPAQHKUESWCGV-VIFPVBQESA-N 1 0 211.334 1.769 10 0 BDAERO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000252885622 349220787 /nfs/dbraw/zinc/22/07/87/349220787.db2.gz YEARKXAXSNCASM-JHJVBQTASA-N 1 0 245.363 1.056 10 0 BDAERO CCC1(C)CC[NH+](CC(N)=S)CC1 ZINC000062953907 349278794 /nfs/dbraw/zinc/27/87/94/349278794.db2.gz FEOXKOYQYMBZMF-UHFFFAOYSA-N 1 0 200.351 1.785 10 0 BDAERO Cc1n[nH]cc1CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000289504586 179849970 /nfs/dbraw/zinc/84/99/70/179849970.db2.gz TZVHULGKIQESBR-CABZTGNLSA-N 1 0 222.336 1.100 10 0 BDAERO CC[C@@H](C)n1nccc1[C@@H](O)C[NH2+]C(C)C ZINC000725253497 538038154 /nfs/dbraw/zinc/03/81/54/538038154.db2.gz NFIOTOQIUYECPD-PWSUYJOCSA-N 1 0 225.336 1.886 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@H+](C[C@@H]1CCCO1)CC2 ZINC000160832564 349322858 /nfs/dbraw/zinc/32/28/58/349322858.db2.gz QLJOBMZCSQJPBV-IHRRRGAJSA-N 1 0 239.359 1.792 10 0 BDAERO CC(C)n1cc(NC(=O)[C@H]2CCC[NH2+]C2)cn1 ZINC000061683519 349388828 /nfs/dbraw/zinc/38/88/28/349388828.db2.gz QNAXPNMOFWOQLI-JTQLQIEISA-N 1 0 236.319 1.402 10 0 BDAERO COc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000309043150 349400116 /nfs/dbraw/zinc/40/01/16/349400116.db2.gz MLRXYHRXSOVYOV-CMPLNLGQSA-N 1 0 207.273 1.166 10 0 BDAERO C[NH2+][C@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000061277724 349373690 /nfs/dbraw/zinc/37/36/90/349373690.db2.gz UJNBFICNNWZCEX-JTQLQIEISA-N 1 0 232.331 1.154 10 0 BDAERO CCCc1nccnc1[C@H]1C[N@@H+]2CC[C@H]1C2 ZINC000013448253 350008020 /nfs/dbraw/zinc/00/80/20/350008020.db2.gz BAWYEFKZQWTWQQ-QWRGUYRKSA-N 1 0 217.316 1.848 10 0 BDAERO CCC[C@@H](C)N(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070622105 350032105 /nfs/dbraw/zinc/03/21/05/350032105.db2.gz SZMHWBUJBDGEFO-PWSUYJOCSA-N 1 0 212.337 1.776 10 0 BDAERO Fc1ccc(-c2nc([C@H]3CC[NH2+]C3)no2)cc1 ZINC000216769467 350015100 /nfs/dbraw/zinc/01/51/00/350015100.db2.gz UXPRJWZUOGCTEK-VIFPVBQESA-N 1 0 233.246 1.953 10 0 BDAERO CC[C@@H]([NH3+])CNc1cncc(OC(C)C)n1 ZINC000070580183 350024822 /nfs/dbraw/zinc/02/48/22/350024822.db2.gz BFSUYHIANWXHNG-SECBINFHSA-N 1 0 224.308 1.413 10 0 BDAERO C[C@@H]1CCCCCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619484 350030563 /nfs/dbraw/zinc/03/05/63/350030563.db2.gz AOTKRHHUEHPPOD-YPMHNXCESA-N 1 0 224.348 1.920 10 0 BDAERO CNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000072187403 191004583 /nfs/dbraw/zinc/00/45/83/191004583.db2.gz QFHNWLKUEBPXOD-GFCCVEGCSA-N 1 0 218.300 1.513 10 0 BDAERO Cc1nc(COc2cccc3c2CC[C@H]3[NH3+])no1 ZINC000062798431 179978911 /nfs/dbraw/zinc/97/89/11/179978911.db2.gz HGPMIWUWNZAWRV-LLVKDONJSA-N 1 0 245.282 1.903 10 0 BDAERO C[C@@H]1CC[C@@H](n2cc(C[NH3+])nn2)C[C@H]1C ZINC000251655537 538049968 /nfs/dbraw/zinc/04/99/68/538049968.db2.gz FUHQHVSKCIFJBA-FXPVBKGRSA-N 1 0 208.309 1.734 10 0 BDAERO CC(C)CN1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000051770382 350104762 /nfs/dbraw/zinc/10/47/62/350104762.db2.gz VISJHKSACUGVTO-UONOGXRCSA-N 1 0 240.391 1.564 10 0 BDAERO Cc1nc(N2CCCSCC2)sc1C[NH3+] ZINC000055002170 180002265 /nfs/dbraw/zinc/00/22/65/180002265.db2.gz LPRALPHAPBWDBP-UHFFFAOYSA-N 1 0 243.401 1.854 10 0 BDAERO CC(C)Oc1cncc(NC[C@@H]([NH3+])C2CC2)n1 ZINC000071177506 350089996 /nfs/dbraw/zinc/08/99/96/350089996.db2.gz CFFCEKTZXPEERI-SNVBAGLBSA-N 1 0 236.319 1.413 10 0 BDAERO Cc1[nH+]c(NCCCn2ccnc2)ccc1N ZINC000036245095 180018122 /nfs/dbraw/zinc/01/81/22/180018122.db2.gz KFGCBRDPBBWYPM-UHFFFAOYSA-N 1 0 231.303 1.671 10 0 BDAERO CCCCNC(=O)NC[C@H]([NH3+])[C@H](C)CC ZINC000725254986 538049939 /nfs/dbraw/zinc/04/99/39/538049939.db2.gz MKHWXWQRPSPGEI-ZJUUUORDSA-N 1 0 215.341 1.459 10 0 BDAERO Cc1nc([C@H](C)[NH3+])sc1C(=O)N(C)C ZINC000011886821 180046980 /nfs/dbraw/zinc/04/69/80/180046980.db2.gz QTSBHILSNWJBFL-YFKPBYRVSA-N 1 0 213.306 1.173 10 0 BDAERO Cc1nc([C@H]2CCOC2)sc1[C@@H](C)[NH3+] ZINC000051691372 180056984 /nfs/dbraw/zinc/05/69/84/180056984.db2.gz XALVYOWRPCFADW-SVRRBLITSA-N 1 0 212.318 1.975 10 0 BDAERO CC(C)n1nc(-c2cnccn2)cc1CC[NH3+] ZINC000409443666 350137597 /nfs/dbraw/zinc/13/75/97/350137597.db2.gz RCKPPSPPXMPRGJ-UHFFFAOYSA-N 1 0 231.303 1.422 10 0 BDAERO CC(C)OCCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000133180902 191038361 /nfs/dbraw/zinc/03/83/61/191038361.db2.gz VBGRTQZGQOJEAV-RYUDHWBXSA-N 1 0 215.337 1.911 10 0 BDAERO Cc1nc[nH]c1C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000054796422 180121608 /nfs/dbraw/zinc/12/16/08/180121608.db2.gz XWPSAPVEYCKQGS-QMMMGPOBSA-N 1 0 233.319 1.611 10 0 BDAERO Cc1cnn(CC[NH2+]CCCc2cnn(C)c2)c1 ZINC000314244722 350169786 /nfs/dbraw/zinc/16/97/86/350169786.db2.gz YNFKHEQKOPFZPA-UHFFFAOYSA-N 1 0 247.346 1.147 10 0 BDAERO Cc1nccc(C[NH2+]C[C@H]2CCCO2)n1 ZINC000038038030 180190011 /nfs/dbraw/zinc/19/00/11/180190011.db2.gz HXSNHZIINZYXRA-LLVKDONJSA-N 1 0 207.277 1.054 10 0 BDAERO Cc1nccc(CN[C@H](C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000038037593 180191136 /nfs/dbraw/zinc/19/11/36/180191136.db2.gz USYMWIPUKKRWSB-DGCLKSJQSA-N 1 0 248.374 1.605 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2CCCCC[C@H]2O)n1 ZINC000038037839 180191462 /nfs/dbraw/zinc/19/14/62/180191462.db2.gz GTKIHLJKYWJYBF-CHWSQXEVSA-N 1 0 235.331 1.568 10 0 BDAERO Cc1nccc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000054937486 180207698 /nfs/dbraw/zinc/20/76/98/180207698.db2.gz LARLQMLTOLBVAJ-JTQLQIEISA-N 1 0 207.277 1.306 10 0 BDAERO NS(=O)(=O)c1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000309232021 350213544 /nfs/dbraw/zinc/21/35/44/350213544.db2.gz HAOFVNNZPMPGEO-LLVKDONJSA-N 1 0 240.328 1.149 10 0 BDAERO Cc1nccc(C[NH2+]CCc2ccncc2)n1 ZINC000038037923 180189721 /nfs/dbraw/zinc/18/97/21/180189721.db2.gz NTFSMKBTAXEEIZ-UHFFFAOYSA-N 1 0 228.299 1.512 10 0 BDAERO CCc1nccn1-c1ccnc(Cl)n1 ZINC000051850454 350228103 /nfs/dbraw/zinc/22/81/03/350228103.db2.gz NSZORCGKPSNSRP-UHFFFAOYSA-N 1 0 208.652 1.878 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222006277 350228829 /nfs/dbraw/zinc/22/88/29/350228829.db2.gz LNUDUHWGJVFXAM-VGMNWLOBSA-N 1 0 232.418 1.877 10 0 BDAERO CN(CC(F)(F)F)c1cc[nH+]cc1N ZINC000037664006 350286384 /nfs/dbraw/zinc/28/63/84/350286384.db2.gz LWNSNZBTCFEERV-UHFFFAOYSA-N 1 0 205.183 1.662 10 0 BDAERO Cc1nccnc1N(C)CC1CC[NH2+]CC1 ZINC000095071318 180275604 /nfs/dbraw/zinc/27/56/04/180275604.db2.gz KGIUSXFLEKQXPD-UHFFFAOYSA-N 1 0 220.320 1.221 10 0 BDAERO Cc1nccn1C[C@@H]([NH3+])c1ccc(O)cc1 ZINC000011848609 180266929 /nfs/dbraw/zinc/26/69/29/180266929.db2.gz BNYXHHMNTDSILK-GFCCVEGCSA-N 1 0 217.272 1.597 10 0 BDAERO Cc1nccn1C[C@H]([NH3+])c1ccc(O)cc1 ZINC000011848610 180269287 /nfs/dbraw/zinc/26/92/87/180269287.db2.gz BNYXHHMNTDSILK-LBPRGKRZSA-N 1 0 217.272 1.597 10 0 BDAERO Cc1nccn1[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336364 180270862 /nfs/dbraw/zinc/27/08/62/180270862.db2.gz GRPRWSTZIAZRHT-KCJUWKMLSA-N 1 0 205.261 1.721 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CS1 ZINC000324403872 350296289 /nfs/dbraw/zinc/29/62/89/350296289.db2.gz IEMVNYVNOJGMCA-OPRDCNLKSA-N 1 0 217.378 1.877 10 0 BDAERO CCOCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000309315751 350305664 /nfs/dbraw/zinc/30/56/64/350305664.db2.gz NRCNAOKWYKZSIR-VXGBXAGGSA-N 1 0 229.364 1.942 10 0 BDAERO Cc1nccnc1S[C@@H]1CCC[NH2+]C1 ZINC000095068809 180280522 /nfs/dbraw/zinc/28/05/22/180280522.db2.gz CNGREGAICCSGQN-SECBINFHSA-N 1 0 209.318 1.629 10 0 BDAERO CCCNC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725264270 538090529 /nfs/dbraw/zinc/09/05/29/538090529.db2.gz UKZRYOVJWKLPEI-LLVKDONJSA-N 1 0 239.363 1.618 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000725264218 538090632 /nfs/dbraw/zinc/09/06/32/538090632.db2.gz PIYFAUFLLVATFW-NSHDSACASA-N 1 0 239.363 1.426 10 0 BDAERO Cc1ncoc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000083334092 180296935 /nfs/dbraw/zinc/29/69/35/180296935.db2.gz CYDITWJVKWXPJR-MRVPVSSYSA-N 1 0 234.259 1.500 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1c1noc(-c2cccnc2)n1 ZINC000076051643 350346986 /nfs/dbraw/zinc/34/69/86/350346986.db2.gz SQLTZSOMADOKHD-UWVGGRQHSA-N 1 0 230.271 1.726 10 0 BDAERO Cc1ncoc1C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000235619643 180297883 /nfs/dbraw/zinc/29/78/83/180297883.db2.gz IXMXSIIXAIWZLQ-WPRPVWTQSA-N 1 0 237.303 1.182 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+]C[C@@H](C)O ZINC000037258079 180326537 /nfs/dbraw/zinc/32/65/37/180326537.db2.gz OHHZJSREZBKMLK-RNFRBKRXSA-N 1 0 200.307 1.483 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](C)CO ZINC000037258842 180326554 /nfs/dbraw/zinc/32/65/54/180326554.db2.gz QFWBJCNHNRCQGP-HTRCEHHLSA-N 1 0 200.307 1.483 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000037268157 180326907 /nfs/dbraw/zinc/32/69/07/180326907.db2.gz FRRIYYMDGNKCIC-RKDXNWHRSA-N 1 0 241.360 1.579 10 0 BDAERO Cc1ncsc1CNC(=O)c1c[nH+]ccc1N ZINC000127746052 180319508 /nfs/dbraw/zinc/31/95/08/180319508.db2.gz PHHQHGZJANWYHT-UHFFFAOYSA-N 1 0 248.311 1.359 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CNc1cc(Cl)ncn1 ZINC000226138296 350402513 /nfs/dbraw/zinc/40/25/13/350402513.db2.gz MVHCBAGHBKDHJW-MRVPVSSYSA-N 1 0 226.711 1.636 10 0 BDAERO CC(C)CNC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000725264471 538091765 /nfs/dbraw/zinc/09/17/65/538091765.db2.gz PNVYXKISNKNRIO-DGCLKSJQSA-N 1 0 239.363 1.698 10 0 BDAERO Cc1nn(C)c(N2C[C@H](C)C[C@@H](C)C2)c1C[NH3+] ZINC000020469701 180356681 /nfs/dbraw/zinc/35/66/81/180356681.db2.gz QRUQOQZQYHUGCT-NXEZZACHSA-N 1 0 236.363 1.670 10 0 BDAERO O=Cc1ccc(-c2n[nH]c3c2C[NH2+]CC3)cc1F ZINC000725265497 538092898 /nfs/dbraw/zinc/09/28/98/538092898.db2.gz IOKOXYDNIMULQN-UHFFFAOYSA-N 1 0 245.257 1.674 10 0 BDAERO CC[N@@H+]1CCC[C@@]12c1ccccc1NC2=O ZINC000033824251 350460539 /nfs/dbraw/zinc/46/05/39/350460539.db2.gz MSIOJTCPQQGQJO-ZDUSSCGKSA-N 1 0 216.284 1.950 10 0 BDAERO C[C@@H]([NH2+]CC(C)(C)O)[C@H]1COc2ccccc21 ZINC000162983234 350490389 /nfs/dbraw/zinc/49/03/89/350490389.db2.gz MASXZPFTFDLNSO-ZYHUDNBSSA-N 1 0 235.327 1.912 10 0 BDAERO Cc1coc(-c2cnnn2[C@H]2CCC[NH2+]CC2)n1 ZINC000725266042 538093730 /nfs/dbraw/zinc/09/37/30/538093730.db2.gz HNZDAFAZBJYOIP-JTQLQIEISA-N 1 0 247.302 1.556 10 0 BDAERO Cc1nn(C)cc1C[C@H]([NH3+])Cc1ccccc1 ZINC000082348569 180377893 /nfs/dbraw/zinc/37/78/93/180377893.db2.gz FNKVAJNQMBGAHJ-CQSZACIVSA-N 1 0 229.327 1.841 10 0 BDAERO NC(=[NH2+])CCc1c[nH]nc1C(F)(F)F ZINC000409436821 350479609 /nfs/dbraw/zinc/47/96/09/350479609.db2.gz AYUZFRISLCYOBA-UHFFFAOYSA-N 1 0 206.171 1.297 10 0 BDAERO CC(=O)Nc1ccccc1[C@@H]1C[NH2+]CCOC1 ZINC000616592926 350483426 /nfs/dbraw/zinc/48/34/26/350483426.db2.gz GHKRNYLQVVKJGF-LLVKDONJSA-N 1 0 234.299 1.348 10 0 BDAERO Cc1nn([C@@H]2CC[N@@H+](C)C2)c(N)c1Cl ZINC000061989966 180392048 /nfs/dbraw/zinc/39/20/48/180392048.db2.gz PQICYOKBMLHIOU-SSDOTTSWSA-N 1 0 214.700 1.304 10 0 BDAERO Cc1nn([C@@H]2COCC[C@H]2[NH3+])c(C)c1C ZINC000040729330 180392196 /nfs/dbraw/zinc/39/21/96/180392196.db2.gz OMWCMAUBNWDRNR-GHMZBOCLSA-N 1 0 209.293 1.097 10 0 BDAERO Cc1nn([C@H]2CCCC[C@@H]2O)c(C)c1C[NH3+] ZINC000054599970 180393422 /nfs/dbraw/zinc/39/34/22/180393422.db2.gz JRECXXOAARRFHY-RYUDHWBXSA-N 1 0 223.320 1.435 10 0 BDAERO CC1CC(C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000309386393 323365228 /nfs/dbraw/zinc/36/52/28/323365228.db2.gz FBYNLAODEHTKHU-CBINBANVSA-N 1 0 210.321 1.230 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000300861348 490572126 /nfs/dbraw/zinc/57/21/26/490572126.db2.gz NREIWWHXPKUASM-KXNHARMFSA-N 1 0 213.321 1.305 10 0 BDAERO COCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163178906 350504659 /nfs/dbraw/zinc/50/46/59/350504659.db2.gz LYLGMUSLYGABSS-XQQFMLRXSA-N 1 0 227.348 1.648 10 0 BDAERO c1cnc2cccc([C@@H]3C[NH2+]CCOC3)c2c1 ZINC000616593295 350562805 /nfs/dbraw/zinc/56/28/05/350562805.db2.gz JEERYZRKJDEUPR-LLVKDONJSA-N 1 0 228.295 1.938 10 0 BDAERO NC(=O)c1ccccc1Nc1cccc(C[NH3+])c1 ZINC000616593411 350581176 /nfs/dbraw/zinc/58/11/76/350581176.db2.gz VPUFWALYOGSUOI-UHFFFAOYSA-N 1 0 241.294 1.988 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2cnno2)CC1 ZINC000616593904 350585451 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UCKOYMWEKAIRCC-ZETCQYMHSA-N 1 0 213.306 1.305 10 0 BDAERO C[C@@H]1CC[NH2+][C@H]([C@H]2CCOC2)CS1 ZINC000252825580 350915569 /nfs/dbraw/zinc/91/55/69/350915569.db2.gz FTKFAXTYSLWXPW-UTLUCORTSA-N 1 0 201.335 1.507 10 0 BDAERO COc1ccccc1[C@@H]1CCCN(CC[NH3+])C1 ZINC000616619761 350928599 /nfs/dbraw/zinc/92/85/99/350928599.db2.gz AWYKKTNGUVAMLL-GFCCVEGCSA-N 1 0 234.343 1.833 10 0 BDAERO Cc1oc(Cn2cncn2)cc1C[NH2+]CC(C)C ZINC000052575084 180532677 /nfs/dbraw/zinc/53/26/77/180532677.db2.gz JEIKONZRJUKLEV-UHFFFAOYSA-N 1 0 248.330 1.973 10 0 BDAERO [NH3+][C@@H](c1ccns1)[C@@H]1CSCCS1 ZINC000306745752 350933420 /nfs/dbraw/zinc/93/34/20/350933420.db2.gz BMSZJKWLBNTZMS-YUMQZZPRSA-N 1 0 232.399 1.992 10 0 BDAERO CNC(=[NH2+])Nc1cnn(Cc2ccccc2)c1 ZINC000306712305 350873152 /nfs/dbraw/zinc/87/31/52/350873152.db2.gz YWEOVHLHQWCLSE-UHFFFAOYSA-N 1 0 229.287 1.497 10 0 BDAERO C[C@H]1CCC[C@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623091887 350875994 /nfs/dbraw/zinc/87/59/94/350875994.db2.gz YRXZMQGTDPWADK-STQMWFEESA-N 1 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BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)c1ccc(F)cc1 ZINC000159773302 350998467 /nfs/dbraw/zinc/99/84/67/350998467.db2.gz XTXPWEGYNHJHEJ-GZMMTYOYSA-N 1 0 207.248 1.864 10 0 BDAERO c1cnn(CC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000105886780 187473152 /nfs/dbraw/zinc/47/31/52/187473152.db2.gz MXOHTLJUINJHLZ-AWEZNQCLSA-N 1 0 249.358 1.774 10 0 BDAERO Nc1cc(CCc2cncs2)cc[nH+]1 ZINC000159781488 351001552 /nfs/dbraw/zinc/00/15/52/351001552.db2.gz WZHSJJFINZUTGT-UHFFFAOYSA-N 1 0 205.286 1.906 10 0 BDAERO OC[C@]1(Cc2cncs2)CCC[NH2+]C1 ZINC000159817359 351005990 /nfs/dbraw/zinc/00/59/90/351005990.db2.gz CREWZYRUYZJVBA-JTQLQIEISA-N 1 0 212.318 1.048 10 0 BDAERO Cc1nnc(NC(C)(C)[C@@H](C)[NH3+])s1 ZINC000128974803 350950438 /nfs/dbraw/zinc/95/04/38/350950438.db2.gz APPJEBSYXPZNQV-RXMQYKEDSA-N 1 0 200.311 1.384 10 0 BDAERO [NH3+]C1CCC(OCc2cncs2)CC1 ZINC000159629640 350956232 /nfs/dbraw/zinc/95/62/32/350956232.db2.gz SBWMCQJNDSJFCG-UHFFFAOYSA-N 1 0 212.318 1.930 10 0 BDAERO NC1=[NH+]C[C@H]([C@H]2CCCO2)N1Cc1ccccc1 ZINC000129261250 351020922 /nfs/dbraw/zinc/02/09/22/351020922.db2.gz VITBGWZGQWBKRH-CHWSQXEVSA-N 1 0 245.326 1.365 10 0 BDAERO Nc1ncc([C@]2(F)CCC[C@H]([NH3+])C2)s1 ZINC000159901074 351023639 /nfs/dbraw/zinc/02/36/39/351023639.db2.gz ZNMPPSHUWFYMLK-RCOVLWMOSA-N 1 0 215.297 1.791 10 0 BDAERO CC(C)[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000300924327 191129054 /nfs/dbraw/zinc/12/90/54/191129054.db2.gz UVHJBCKQZWVJEM-UWVGGRQHSA-N 1 0 203.351 1.441 10 0 BDAERO Cl/C=C(/Cl)CSC1=[NH+]CCN1 ZINC000306788347 351038545 /nfs/dbraw/zinc/03/85/45/351038545.db2.gz RUJYOYHHEKQAIH-HWKANZROSA-N 1 0 211.117 1.998 10 0 BDAERO C[C@H](C(=O)[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000306795076 351042924 /nfs/dbraw/zinc/04/29/24/351042924.db2.gz GGZSOKNQPMDUMU-GARJFASQSA-N 1 0 211.305 1.370 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2ccncc2)C1 ZINC000616621608 351043397 /nfs/dbraw/zinc/04/33/97/351043397.db2.gz UJIZUNLJCHXASA-LBPRGKRZSA-N 1 0 205.305 1.220 10 0 BDAERO CNc1ccccc1[C@H]1C[NH2+]CCN1C(=O)OC ZINC000616636405 351125864 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CO[C@H]1COCC[C@@]12[NH2+]C(C)(C)CS2 ZINC000307440808 352597280 /nfs/dbraw/zinc/59/72/80/352597280.db2.gz YFITUANXTSNFQD-WPRPVWTQSA-N 1 0 217.334 1.233 10 0 BDAERO C[C@H]1CCN([C@H]2CC[NH2+]C2)CCS1 ZINC000307449067 352603143 /nfs/dbraw/zinc/60/31/43/352603143.db2.gz ZVGIYECHXFTGMI-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO FC1(F)CC(CNC2=[NH+]CCS2)C1 ZINC000307452395 352606602 /nfs/dbraw/zinc/60/66/02/352606602.db2.gz SXRCKKKFWUSSOA-UHFFFAOYSA-N 1 0 206.261 1.724 10 0 BDAERO [NH3+][C@H](Cc1csnn1)[C@@H]1CSCCS1 ZINC000307471379 352612876 /nfs/dbraw/zinc/61/28/76/352612876.db2.gz RFCZIWIGOKDOGB-SFYZADRCSA-N 1 0 247.414 1.257 10 0 BDAERO CC1(C)CS[C@]2(COC(C)(C)C2)[NH2+]1 ZINC000307466498 352615939 /nfs/dbraw/zinc/61/59/39/352615939.db2.gz JXSJNNMOWLSXOB-SNVBAGLBSA-N 1 0 201.335 1.997 10 0 BDAERO C/C(=C\Cl)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300401026 352562672 /nfs/dbraw/zinc/56/26/72/352562672.db2.gz JBDGQWQCQWSVKV-URNYOCNJSA-N 1 0 202.729 1.798 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1(C(F)F)CC1 ZINC000638726577 352584737 /nfs/dbraw/zinc/58/47/37/352584737.db2.gz UBEIOLIUDGJRPE-JGVFFNPUSA-N 1 0 232.274 1.288 10 0 BDAERO C[C@@H]1CSC[C@@H]1N1CC[NH2+][C@H](C)C1 ZINC000307409208 352585599 /nfs/dbraw/zinc/58/55/99/352585599.db2.gz FJMOLTMCOOFFHD-BBBLOLIVSA-N 1 0 200.351 1.032 10 0 BDAERO C[C@@]1([NH2+]C[C@H]2CCCSC2)CCOC1 ZINC000307536097 352640814 /nfs/dbraw/zinc/64/08/14/352640814.db2.gz PGSLXECJLNPBKA-GHMZBOCLSA-N 1 0 215.362 1.898 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@]1(C)C1CCCC1 ZINC000229213065 352652731 /nfs/dbraw/zinc/65/27/31/352652731.db2.gz DMJBSBZZINKPGI-PWSUYJOCSA-N 1 0 211.305 1.575 10 0 BDAERO Cc1cc([C@@H]([NH3+])C2CSC2)sn1 ZINC000404979946 352652765 /nfs/dbraw/zinc/65/27/65/352652765.db2.gz FSWBDSQTPPBNBH-QMMMGPOBSA-N 1 0 200.332 1.814 10 0 BDAERO C[C@H]1CC[C@@H](CNC2=[NH+]CCS2)O1 ZINC000307565317 352653091 /nfs/dbraw/zinc/65/30/91/352653091.db2.gz FFPYGFQBQPLWBC-YUMQZZPRSA-N 1 0 200.307 1.246 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000608066164 352662194 /nfs/dbraw/zinc/66/21/94/352662194.db2.gz FUGSXWNZHBWNIH-QMTHXVAHSA-N 1 0 245.326 1.814 10 0 BDAERO C[C@]1([C@@H]2CC[NH2+][C@@H]2CO)CCCS1 ZINC000307609052 352669254 /nfs/dbraw/zinc/66/92/54/352669254.db2.gz HJVCQAAINFABLF-OPRDCNLKSA-N 1 0 201.335 1.243 10 0 BDAERO CC1(C)CS[C@@]2(CCOC2(C)C)[NH2+]1 ZINC000307486047 352620791 /nfs/dbraw/zinc/62/07/91/352620791.db2.gz UYNGNMAQIUSCPV-SNVBAGLBSA-N 1 0 201.335 1.997 10 0 BDAERO [NH3+]Cc1cc(F)c(O)cc1Br ZINC000307494218 352624655 /nfs/dbraw/zinc/62/46/55/352624655.db2.gz IFWRPRYDQZDFDR-UHFFFAOYSA-N 1 0 220.041 1.753 10 0 BDAERO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000307521739 352635750 /nfs/dbraw/zinc/63/57/50/352635750.db2.gz ZPILIHJSBHLSSH-ZYHUDNBSSA-N 1 0 239.340 1.209 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCCC2(CC2)CC1 ZINC000638755657 352689256 /nfs/dbraw/zinc/68/92/56/352689256.db2.gz CXLUOZIRBDMCCR-LBPRGKRZSA-N 1 0 236.359 1.779 10 0 BDAERO C1CC1[C@@H]1OCC[C@H]1NC1=[NH+]CCS1 ZINC000232454017 352680151 /nfs/dbraw/zinc/68/01/51/352680151.db2.gz WMYKPDSVTZAPMW-BDAKNGLRSA-N 1 0 212.318 1.246 10 0 BDAERO CC[C@@H]1[C@H](C2CC2)[NH2+][C@H](C)C[S@]1=O ZINC000307667976 352747518 /nfs/dbraw/zinc/74/75/18/352747518.db2.gz IUKLENXUVYGZNK-SQFXPHBZSA-N 1 0 201.335 1.284 10 0 BDAERO Cn1cnnc1S[C@@H](C[NH3+])c1ccccc1 ZINC000042900349 180797999 /nfs/dbraw/zinc/79/79/99/180797999.db2.gz YZVRPGCCBQXKGN-JTQLQIEISA-N 1 0 234.328 1.607 10 0 BDAERO Cc1ncc(-c2nc([C@H](C)[NH3+])c[nH]2)s1 ZINC000307681601 352788873 /nfs/dbraw/zinc/78/88/73/352788873.db2.gz XZCUFPCORSRXIG-YFKPBYRVSA-N 1 0 208.290 1.861 10 0 BDAERO Cn1cnnc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336693039 180794767 /nfs/dbraw/zinc/79/47/67/180794767.db2.gz KYOQPEYJZKNDII-UWVGGRQHSA-N 1 0 226.299 1.433 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC12CC2 ZINC000638808361 352985283 /nfs/dbraw/zinc/98/52/83/352985283.db2.gz ORDGANSHJHMBFD-MNOVXSKESA-N 1 0 224.348 1.810 10 0 BDAERO CC(C)(C)C(=O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000306515065 353021158 /nfs/dbraw/zinc/02/11/58/353021158.db2.gz CCTPXLMFCSXFBI-SECBINFHSA-N 1 0 213.321 1.447 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@](C)(CC)C1CC1 ZINC000638858319 353034494 /nfs/dbraw/zinc/03/44/94/353034494.db2.gz NNPCEEWEEQLGLG-PWSUYJOCSA-N 1 0 212.337 1.809 10 0 BDAERO Cc1cc(NC2CC2)cc(C(N)=S)[nH+]1 ZINC000306236394 352997935 /nfs/dbraw/zinc/99/79/35/352997935.db2.gz HIKICPPXZVOLLI-UHFFFAOYSA-N 1 0 207.302 1.599 10 0 BDAERO C[C@@H]([NH3+])c1cnnn1Cc1cccs1 ZINC000306702958 353035967 /nfs/dbraw/zinc/03/59/67/353035967.db2.gz IIHOPUQZAUHALX-SSDOTTSWSA-N 1 0 208.290 1.408 10 0 BDAERO C[C@H]1CN(C(=O)C2CCSCC2)C[C@@H]1C[NH3+] ZINC000638911875 353076945 /nfs/dbraw/zinc/07/69/45/353076945.db2.gz HPVURYYMFMSTHW-ONGXEEELSA-N 1 0 242.388 1.183 10 0 BDAERO CCC1(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000638916148 353071405 /nfs/dbraw/zinc/07/14/05/353071405.db2.gz RFLBZUHNBOZTLY-VHSXEESVSA-N 1 0 210.321 1.230 10 0 BDAERO Cc1nc(Br)ccc1NCC[NH3+] ZINC000307394590 353072724 /nfs/dbraw/zinc/07/27/24/353072724.db2.gz DPNOEQLXACMLBK-UHFFFAOYSA-N 1 0 230.109 1.523 10 0 BDAERO C[C@H]1CN(C(=O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000638888311 353049567 /nfs/dbraw/zinc/04/95/67/353049567.db2.gz XKPYWQFEHIEZJO-CMPLNLGQSA-N 1 0 224.348 1.620 10 0 BDAERO Cc1cccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000638889087 353050910 /nfs/dbraw/zinc/05/09/10/353050910.db2.gz CRBFLKKSTFPCFU-WDEREUQCSA-N 1 0 248.326 1.367 10 0 BDAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)o1 ZINC000638884242 353051191 /nfs/dbraw/zinc/05/11/91/353051191.db2.gz GMCDGGNYIBPKPN-KCJUWKMLSA-N 1 0 236.315 1.563 10 0 BDAERO Cc1ccccc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638885298 353052814 /nfs/dbraw/zinc/05/28/14/353052814.db2.gz NLZZNJIQORSZGR-NEPJUHHUSA-N 1 0 232.327 1.662 10 0 BDAERO C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C[NH3+] ZINC000638895111 353055708 /nfs/dbraw/zinc/05/57/08/353055708.db2.gz WWPYIOXOKCQDAK-VXNVDRBHSA-N 1 0 232.274 1.085 10 0 BDAERO C[C@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1C[NH3+] ZINC000638896533 353057600 /nfs/dbraw/zinc/05/76/00/353057600.db2.gz ZOMCIRQWTRCSMG-AAEUAGOBSA-N 1 0 247.342 1.067 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000638889552 353057770 /nfs/dbraw/zinc/05/77/70/353057770.db2.gz BXQRZUHTWAXEFL-BXKDBHETSA-N 1 0 247.342 1.365 10 0 BDAERO C[C@@H]1CCN[C@@]2(CCC[NH2+][C@H]2C)S1 ZINC000307722140 353110892 /nfs/dbraw/zinc/11/08/92/353110892.db2.gz XYGHURDMKPRWNH-UTLUCORTSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]1CN([C@H]2CCC[NH2+][C@@H]2C)CCS1 ZINC000307504750 353080064 /nfs/dbraw/zinc/08/00/64/353080064.db2.gz YXHVYLGVRPMXMG-MXWKQRLJSA-N 1 0 214.378 1.564 10 0 BDAERO [NH3+]Cc1cc(Br)cc(O)c1F ZINC000307627545 353087844 /nfs/dbraw/zinc/08/78/44/353087844.db2.gz RPFWMDGKCOETFP-UHFFFAOYSA-N 1 0 220.041 1.753 10 0 BDAERO C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)C[NH2+]1 ZINC000307738921 353122407 /nfs/dbraw/zinc/12/24/07/353122407.db2.gz XSDOSPKIPAQIKL-BQBZGAKWSA-N 1 0 224.226 1.053 10 0 BDAERO C[NH2+]C1(C(=O)c2cnccc2C)CCC1 ZINC000307755407 353129794 /nfs/dbraw/zinc/12/97/94/353129794.db2.gz DGYVBRBBUINAME-UHFFFAOYSA-N 1 0 204.273 1.715 10 0 BDAERO Cc1csc(C[C@@H](O)C(C)(C)[NH3+])n1 ZINC000307757968 353130502 /nfs/dbraw/zinc/13/05/02/353130502.db2.gz MXRSKERSCIXGHX-SSDOTTSWSA-N 1 0 200.307 1.092 10 0 BDAERO O=C1CCC([N@@H+]2CC[C@H](CCO)C2)CC1 ZINC000160095780 353135823 /nfs/dbraw/zinc/13/58/23/353135823.db2.gz SECYITIPKFECKU-SNVBAGLBSA-N 1 0 211.305 1.202 10 0 BDAERO [NH3+][C@@H]1CC[C@H]([S@@](=O)c2cccs2)C1 ZINC000218775181 353158477 /nfs/dbraw/zinc/15/84/77/353158477.db2.gz NWYSHBXTKHBCCS-BFHDXFOESA-N 1 0 215.343 1.736 10 0 BDAERO CCN1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336754652 353145286 /nfs/dbraw/zinc/14/52/86/353145286.db2.gz FTRYHXVZJHYGRF-STQMWFEESA-N 1 0 226.364 1.487 10 0 BDAERO OCC1([C@H]2CCSC2)CC[NH2+]CC1 ZINC000405264010 353154475 /nfs/dbraw/zinc/15/44/75/353154475.db2.gz QIKSOEPPXYJQAE-VIFPVBQESA-N 1 0 201.335 1.102 10 0 BDAERO CC[C@H](C)S(=O)(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000218763031 353155295 /nfs/dbraw/zinc/15/52/95/353155295.db2.gz NICDMPRWIBLGOW-DJLDLDEBSA-N 1 0 205.323 1.080 10 0 BDAERO COC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124617425 188083993 /nfs/dbraw/zinc/08/39/93/188083993.db2.gz CMRBQFGCKFIYAY-SDDRHHMPSA-N 1 0 242.363 1.210 10 0 BDAERO C[C@H](C[S@](C)=O)[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000398838936 353166476 /nfs/dbraw/zinc/16/64/76/353166476.db2.gz IQZAUQBRMBRQAW-QHSOUUPTSA-N 1 0 247.404 1.236 10 0 BDAERO [NH3+]C[C@]1([C@@H]2CCSC2)CCCOC1 ZINC000405303097 353166761 /nfs/dbraw/zinc/16/67/61/353166761.db2.gz KRHNMZCCPRUETA-NXEZZACHSA-N 1 0 201.335 1.495 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1O[C@@H]1CCSC1 ZINC000405300725 353167343 /nfs/dbraw/zinc/16/73/43/353167343.db2.gz JFXMFSVZYHTFKY-OPRDCNLKSA-N 1 0 201.335 1.507 10 0 BDAERO CC(C)C[C@@H](C)N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037499826 188107243 /nfs/dbraw/zinc/10/72/43/188107243.db2.gz COERTJKTRCYGPS-MNOVXSKESA-N 1 0 212.337 1.631 10 0 BDAERO C(OC[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000019470120 188107844 /nfs/dbraw/zinc/10/78/44/188107844.db2.gz VVVGVVZMJUSSLT-LBPRGKRZSA-N 1 0 213.321 1.572 10 0 BDAERO CC(C)([NH3+])C(=O)Nc1ccc(F)c(F)c1F ZINC000019672706 188108097 /nfs/dbraw/zinc/10/80/97/188108097.db2.gz FWPRUGLFRSHOQW-UHFFFAOYSA-N 1 0 232.205 1.780 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)Nc1c(F)cccc1F ZINC000020476419 188108614 /nfs/dbraw/zinc/10/86/14/188108614.db2.gz CTQZPRMAYQHMPQ-VIFPVBQESA-N 1 0 228.242 1.887 10 0 BDAERO CCc1ccc([C@@H](O)CN2CC[NH2+]CC2)cc1 ZINC000020264127 188108774 /nfs/dbraw/zinc/10/87/74/188108774.db2.gz KBRLMIFHZGRZCV-AWEZNQCLSA-N 1 0 234.343 1.188 10 0 BDAERO CC(C)[N@H+](Cc1cccc(N)c1)[C@H](C)C(N)=O ZINC000035365633 188111394 /nfs/dbraw/zinc/11/13/94/188111394.db2.gz GOQLCNWXNYIXPO-SNVBAGLBSA-N 1 0 235.331 1.353 10 0 BDAERO CC[C@@H]1CCCCN1c1c(C[NH3+])c(C)nn1C ZINC000037083643 188113151 /nfs/dbraw/zinc/11/31/51/188113151.db2.gz XBQDIXQTCYILKD-LLVKDONJSA-N 1 0 236.363 1.956 10 0 BDAERO Cc1cc(N(C)C[C@H](C)C[NH3+])nc(C(C)C)n1 ZINC000042455619 188119306 /nfs/dbraw/zinc/11/93/06/188119306.db2.gz UIXPMSGJBNNYDF-SNVBAGLBSA-N 1 0 236.363 1.939 10 0 BDAERO COc1ccc([C@@H](O)[C@H](C)C[NH3+])cc1Cl ZINC000082348244 188119314 /nfs/dbraw/zinc/11/93/14/188119314.db2.gz XZZNIBSEILQOIM-HQJQHLMTSA-N 1 0 229.707 1.977 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CCC[C@@H]1CO ZINC000042432951 188119399 /nfs/dbraw/zinc/11/93/99/188119399.db2.gz HHWDWFFZGMAYCY-GHMZBOCLSA-N 1 0 220.316 1.667 10 0 BDAERO COc1ccc(N)cc1C[N@@H+]1CCC[C@H]1CO ZINC000042432682 188119629 /nfs/dbraw/zinc/11/96/29/188119629.db2.gz OGRUJTYNVPFZQX-LBPRGKRZSA-N 1 0 236.315 1.234 10 0 BDAERO C([C@@H]1CCC[NH2+]1)N1CCCSCC1 ZINC000042444849 188119804 /nfs/dbraw/zinc/11/98/04/188119804.db2.gz WVXBUTOPVSUCAO-JTQLQIEISA-N 1 0 200.351 1.177 10 0 BDAERO CC(C)N(CCCO)c1ccc(F)cc1C[NH3+] ZINC000042511521 188120216 /nfs/dbraw/zinc/12/02/16/188120216.db2.gz BKVCYJVPNXPQRH-UHFFFAOYSA-N 1 0 240.322 1.882 10 0 BDAERO CC(=O)SCCc1ncc2cnccn21 ZINC000089195465 188144343 /nfs/dbraw/zinc/14/43/43/188144343.db2.gz WOGKJNVRFHNFLG-UHFFFAOYSA-N 1 0 221.285 1.552 10 0 BDAERO Cn1ccnc1C[C@@H]([NH3+])Cc1ccccc1 ZINC000047870339 188124408 /nfs/dbraw/zinc/12/44/08/188124408.db2.gz GGKFOFMIRXRDRM-LBPRGKRZSA-N 1 0 215.300 1.533 10 0 BDAERO CC(C)[C@H](CN(C)C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049204017 188124589 /nfs/dbraw/zinc/12/45/89/188124589.db2.gz YNIQETIZJYZBCC-IHRRRGAJSA-N 1 0 242.407 1.856 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]CC(=O)NC(C)C ZINC000049555941 188124627 /nfs/dbraw/zinc/12/46/27/188124627.db2.gz VRLKUEFMSPIZIV-GFCCVEGCSA-N 1 0 243.395 1.077 10 0 BDAERO COc1ccc([C@](O)(C[NH3+])C2CC2)cc1F ZINC000049820026 188125633 /nfs/dbraw/zinc/12/56/33/188125633.db2.gz GNNROMGPMSJBRT-LBPRGKRZSA-N 1 0 225.263 1.391 10 0 BDAERO CC(C)C[C@H](CO)NC(=[NH2+])NC1CCCCC1 ZINC000052047886 188126227 /nfs/dbraw/zinc/12/62/27/188126227.db2.gz NTWLRZFIEMKCRW-GFCCVEGCSA-N 1 0 241.379 1.840 10 0 BDAERO Cc1cccc(CC(=O)N(C)C[C@@H](C)C[NH3+])c1 ZINC000052126929 188126376 /nfs/dbraw/zinc/12/63/76/188126376.db2.gz SHGFBUMMEISKQN-LBPRGKRZSA-N 1 0 234.343 1.591 10 0 BDAERO CCCn1cnnc1-c1ccc(C[NH3+])cc1 ZINC000054497934 188126661 /nfs/dbraw/zinc/12/66/61/188126661.db2.gz BXXBDUBGMKCFLK-UHFFFAOYSA-N 1 0 216.288 1.814 10 0 BDAERO COc1ccc([C@@H]([NH3+])[C@@H]2COCCO2)cc1F ZINC000055299196 188126820 /nfs/dbraw/zinc/12/68/20/188126820.db2.gz GXYLSECWXSTGJD-NWDGAFQWSA-N 1 0 241.262 1.250 10 0 BDAERO CCCn1cnnc1[C@H]([NH3+])Cc1ccccc1 ZINC000054497946 188127124 /nfs/dbraw/zinc/12/71/24/188127124.db2.gz CNPSXRXIPIWSFQ-GFCCVEGCSA-N 1 0 230.315 1.931 10 0 BDAERO CC(C)C[C@@H](CNCc1ccncn1)[NH+](C)C ZINC000054788867 188127176 /nfs/dbraw/zinc/12/71/76/188127176.db2.gz WDCHJZSEIDEEPF-ZDUSSCGKSA-N 1 0 236.363 1.543 10 0 BDAERO C[C@H]1[NH2+]CCCN(CCOc2ccccc2)C1=O ZINC000063215319 188129775 /nfs/dbraw/zinc/12/97/75/188129775.db2.gz FPPDWUGXXMQRIT-GFCCVEGCSA-N 1 0 248.326 1.276 10 0 BDAERO C=Cn1cc(C[NH2+][C@H]2CCO[C@H]2C)cn1 ZINC000235346373 188130995 /nfs/dbraw/zinc/13/09/95/188130995.db2.gz RYPYQKWKJAIDHS-ONGXEEELSA-N 1 0 207.277 1.251 10 0 BDAERO COc1cccc(COCCOCC[NH3+])c1 ZINC000074528810 188132216 /nfs/dbraw/zinc/13/22/16/188132216.db2.gz ZDXXROVBJGSBCV-UHFFFAOYSA-N 1 0 225.288 1.187 10 0 BDAERO FC(F)(F)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000095076944 180886880 /nfs/dbraw/zinc/88/68/80/180886880.db2.gz GYELWFUBQGQXKR-QMMMGPOBSA-N 1 0 222.254 1.970 10 0 BDAERO Nc1c[nH+]c2cc(C(F)(F)F)ccn12 ZINC000082695068 188139289 /nfs/dbraw/zinc/13/92/89/188139289.db2.gz JGSBRULJJQZBEU-UHFFFAOYSA-N 1 0 201.151 1.935 10 0 BDAERO CC(C)[C@@H]1CN(Cc2ccccn2)CC[NH2+]1 ZINC000082925346 188140227 /nfs/dbraw/zinc/14/02/27/188140227.db2.gz VLIYDPWDEWTLTO-ZDUSSCGKSA-N 1 0 219.332 1.511 10 0 BDAERO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000309760735 188150281 /nfs/dbraw/zinc/15/02/81/188150281.db2.gz IQYYVKFFMGPGJQ-VHSXEESVSA-N 1 0 220.320 1.371 10 0 BDAERO CC1(C)C[C@H]1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000104118838 188150687 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/nfs/dbraw/zinc/15/36/05/188153605.db2.gz RVMFBGOVFLFLMC-QJPTWQEYSA-N 1 0 242.363 1.258 10 0 BDAERO CC(C)[C@H](C)NC(=O)NCC[N@H+](C)C(C)C ZINC000101974171 188157273 /nfs/dbraw/zinc/15/72/73/188157273.db2.gz XZKGOMWGPGBXID-NSHDSACASA-N 1 0 229.368 1.670 10 0 BDAERO C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc[nH]2)C1 ZINC000051789653 188157316 /nfs/dbraw/zinc/15/73/16/188157316.db2.gz QIBPUYORQSJGHX-NSHDSACASA-N 1 0 207.321 1.446 10 0 BDAERO Cc1ccc2c(c1)C[C@]1(C[NH+]=CN1)CC2 ZINC000000006580 188158287 /nfs/dbraw/zinc/15/82/87/188158287.db2.gz NRGOCGDSGZTYDK-ZDUSSCGKSA-N 1 0 200.285 1.854 10 0 BDAERO Cc1cc(N[C@@H]2CCC[N@@H+](C)C2)nc(Cl)n1 ZINC000052814466 188158542 /nfs/dbraw/zinc/15/85/42/188158542.db2.gz BKYCRYVSYPVUBM-SECBINFHSA-N 1 0 240.738 1.945 10 0 BDAERO C[NH2+]Cc1cccc(-n2ccc(C)n2)n1 ZINC000052885098 188158829 /nfs/dbraw/zinc/15/88/29/188158829.db2.gz FCXLELBISGPPOE-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C1=CO[C@H](C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000309085264 188165960 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/nfs/dbraw/zinc/17/72/11/188177211.db2.gz CASRSJCWPJUHDI-UHFFFAOYSA-N 1 0 208.309 1.662 10 0 BDAERO CC(C)N(C)C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055123227 188177921 /nfs/dbraw/zinc/17/79/21/188177921.db2.gz AEXBDJYWGYFLHW-GHMZBOCLSA-N 1 0 212.337 1.761 10 0 BDAERO Clc1nc(C2CC[NH2+]CC2)ns1 ZINC000083284608 188178213 /nfs/dbraw/zinc/17/82/13/188178213.db2.gz QMNFAWBGAWAGAD-UHFFFAOYSA-N 1 0 203.698 1.659 10 0 BDAERO CC(C)[C@H](C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000020597566 188178670 /nfs/dbraw/zinc/17/86/70/188178670.db2.gz ZRKCTYBFEJZRBS-QWRGUYRKSA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)C[C@@H](C[NH3+])N1CCO[C@@H](C)C1 ZINC000022214618 188179590 /nfs/dbraw/zinc/17/95/90/188179590.db2.gz RUBXBNFKBZTDGQ-QWRGUYRKSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@H]1CC(N)=[NH+]N1c1nc2c(s1)CCCC2 ZINC000033754387 188182874 /nfs/dbraw/zinc/18/28/74/188182874.db2.gz GINRFPGQEWNBJV-ZETCQYMHSA-N 1 0 236.344 1.893 10 0 in-man BDAERO Cc1ccsc1[C@@H]([NH3+])c1ccnn1C ZINC000127674500 353274499 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/nfs/dbraw/zinc/54/12/19/353541219.db2.gz DTLRDRGBHJSMCP-UHFFFAOYSA-N 1 0 204.364 1.100 10 0 BDAERO Fc1cccc(F)c1N1CCC[NH2+]CC1 ZINC000044390151 181000089 /nfs/dbraw/zinc/00/00/89/181000089.db2.gz NMIABIHWHHAUKO-UHFFFAOYSA-N 1 0 212.243 1.765 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1CCNC1=O)c1ccccc1 ZINC000309394833 491054320 /nfs/dbraw/zinc/05/43/20/491054320.db2.gz VDTGIYXWKRWCGV-CMPLNLGQSA-N 1 0 218.300 1.268 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004558 491056082 /nfs/dbraw/zinc/05/60/82/491056082.db2.gz XJKDCANLBBWNOS-RWMBFGLXSA-N 1 0 228.380 1.731 10 0 BDAERO Fc1cnc(SC[C@H]2CCC[NH2+]C2)nc1 ZINC000095072055 181019745 /nfs/dbraw/zinc/01/97/45/181019745.db2.gz PXLHCRGTDFFYPD-QMMMGPOBSA-N 1 0 227.308 1.707 10 0 BDAERO CCCC[C@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004646 491056145 /nfs/dbraw/zinc/05/61/45/491056145.db2.gz BQCQUEHLWOZBNE-STQMWFEESA-N 1 0 228.380 1.875 10 0 BDAERO CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000343699667 353966502 /nfs/dbraw/zinc/96/65/02/353966502.db2.gz UWYZYNCOKNHCQM-UTUOFQBUSA-N 1 0 245.363 1.177 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1[S@@](=O)c1cccs1 ZINC000252469408 363283524 /nfs/dbraw/zinc/28/35/24/363283524.db2.gz SQSXNVJJPMABQL-UZVNTWEBSA-N 1 0 229.370 1.982 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)C(C)C)[C@H](C)C1 ZINC000309615505 491058161 /nfs/dbraw/zinc/05/81/61/491058161.db2.gz NUADJUPQLIMTKL-WZRBSPASSA-N 1 0 226.364 1.877 10 0 BDAERO COC(C)(C)[C@@H](C)[N@@H+]1CCN[C@H](C)C1 ZINC000301024777 363336582 /nfs/dbraw/zinc/33/65/82/363336582.db2.gz RJUSMLBEDJADJO-NXEZZACHSA-N 1 0 200.326 1.094 10 0 BDAERO Cc1cnc([C@@H](C)[NH2+]C2CCOCC2)o1 ZINC000231531586 363344859 /nfs/dbraw/zinc/34/48/59/363344859.db2.gz KDZRUGLYWUGWKK-SECBINFHSA-N 1 0 210.277 1.813 10 0 BDAERO C[C@@H]1COCC[C@@]12[NH2+]C(C)(C)CS2 ZINC000301045188 363372641 /nfs/dbraw/zinc/37/26/41/363372641.db2.gz XXNVQHXXCIZINU-SCZZXKLOSA-N 1 0 201.335 1.854 10 0 BDAERO CCn1ccnc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000219001080 354606072 /nfs/dbraw/zinc/60/60/72/354606072.db2.gz VBNLUXVANRPQHH-RYUDHWBXSA-N 1 0 237.347 1.544 10 0 BDAERO C[C@@H]1OC[C@@H](NC2=[NH+]CCS2)[C@@H]1C ZINC000405686685 354736509 /nfs/dbraw/zinc/73/65/09/354736509.db2.gz LXXXIUAZRQMVQY-GJMOJQLCSA-N 1 0 200.307 1.102 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)Cc1ccncc1 ZINC000226488392 363424124 /nfs/dbraw/zinc/42/41/24/363424124.db2.gz BTEXBFKNAMRXCI-MNOVXSKESA-N 1 0 204.273 1.321 10 0 BDAERO COC(=O)[C@]12C[C@H]3C[C@H](C[C@@H](C1)[C@H]3[NH3+])C2 ZINC000308748781 363434509 /nfs/dbraw/zinc/43/45/09/363434509.db2.gz IXBLQWDWMIYKKE-FBEMNVRPSA-N 1 0 209.289 1.313 10 0 BDAERO COc1ncccc1C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000394970409 355332533 /nfs/dbraw/zinc/33/25/33/355332533.db2.gz AKJHHJCIWMANGX-PWSUYJOCSA-N 1 0 236.315 1.435 10 0 BDAERO NC(=[NH2+])Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000019477398 181187468 /nfs/dbraw/zinc/18/74/68/181187468.db2.gz HKQXIXAAHYIESK-LBPRGKRZSA-N 1 0 234.299 1.723 10 0 BDAERO CC[C@@H]1C[NH2+]CC[C@]12NCCCS2 ZINC000229823275 355419670 /nfs/dbraw/zinc/41/96/70/355419670.db2.gz PIEFSPJPZJWQET-NXEZZACHSA-N 1 0 200.351 1.429 10 0 BDAERO NC(=[NH2+])NCc1ccc(-c2cc[nH]n2)cc1 ZINC000052020201 181190899 /nfs/dbraw/zinc/19/08/99/181190899.db2.gz FKSUBNLCPQQFAQ-UHFFFAOYSA-N 1 0 215.260 1.060 10 0 BDAERO NC(=[NH2+])c1c(F)cccc1SCCO ZINC000062566013 181191987 /nfs/dbraw/zinc/19/19/87/181191987.db2.gz FZOWJEQQDTVCGJ-UHFFFAOYSA-N 1 0 214.265 1.194 10 0 BDAERO NC(=[NH2+])c1c(F)cccc1OC[C@@H]1CCCO1 ZINC000036307583 181192345 /nfs/dbraw/zinc/19/23/45/181192345.db2.gz DQBVONLZEUEKRQ-QMMMGPOBSA-N 1 0 238.262 1.668 10 0 BDAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000251666618 491079135 /nfs/dbraw/zinc/07/91/35/491079135.db2.gz URRFWNRWLOELHF-LSJOCFKGSA-N 1 0 210.321 1.276 10 0 BDAERO NC(=[NH2+])c1cc(N2Cc3ccccc3C2)ccn1 ZINC000061814379 181194378 /nfs/dbraw/zinc/19/43/78/181194378.db2.gz MLYUHHJXIMRANX-UHFFFAOYSA-N 1 0 238.294 1.886 10 0 BDAERO NC(=[NH2+])c1ccccc1N(CCO)C1CCCC1 ZINC000042508053 181195903 /nfs/dbraw/zinc/19/59/03/181195903.db2.gz AKHPPBMRBSQACJ-UHFFFAOYSA-N 1 0 247.342 1.712 10 0 BDAERO NC(=[NH2+])c1ccccc1Cn1cccn1 ZINC000019477920 181196365 /nfs/dbraw/zinc/19/63/65/181196365.db2.gz JQLNUYJCAQBKBS-UHFFFAOYSA-N 1 0 200.245 1.215 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CCO[C@H](C(C)C)C2)C1 ZINC000389142882 355731303 /nfs/dbraw/zinc/73/13/03/355731303.db2.gz HODAIQODDNGFDF-IHRRRGAJSA-N 1 0 240.391 1.874 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)OCC(F)(F)F)C1 ZINC000389142984 355731617 /nfs/dbraw/zinc/73/16/17/355731617.db2.gz HQELSRCMNCKZND-ZETCQYMHSA-N 1 0 240.225 1.369 10 0 BDAERO C[C@H]([NH3+])[C@H](C)N1C[C@@H](C)OC(C)(C)C1 ZINC000223376153 355804475 /nfs/dbraw/zinc/80/44/75/355804475.db2.gz PVTYKQLPBOVJQQ-UTLUCORTSA-N 1 0 200.326 1.221 10 0 BDAERO FC1(F)[C@@H]2C[NH2+]C[C@]2(Cl)C1(F)F ZINC000584883307 355834890 /nfs/dbraw/zinc/83/48/90/355834890.db2.gz PARHJRQLCVJPPY-QWWZWVQMSA-N 1 0 203.566 1.468 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000399194913 355837672 /nfs/dbraw/zinc/83/76/72/355837672.db2.gz LASGKQAFYYOLSW-GWCFXTLKSA-N 1 0 231.299 1.298 10 0 BDAERO CC(C)[C@H](C(=O)NC[C@@H](O)C(C)(C)C)[C@@H](C)[NH3+] ZINC000399373917 355867582 /nfs/dbraw/zinc/86/75/82/355867582.db2.gz LLAPZIQHNMOLBM-MXWKQRLJSA-N 1 0 244.379 1.129 10 0 BDAERO CC(C)[C@H](C(=O)NC[C@H](O)C(C)(C)C)[C@@H](C)[NH3+] ZINC000399373919 355867700 /nfs/dbraw/zinc/86/77/00/355867700.db2.gz LLAPZIQHNMOLBM-VWYCJHECSA-N 1 0 244.379 1.129 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000216363499 355976984 /nfs/dbraw/zinc/97/69/84/355976984.db2.gz DHKWNQRTCQXSJF-STQMWFEESA-N 1 0 227.348 1.792 10 0 BDAERO C[C@H](O)C[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000192811949 134068404 /nfs/dbraw/zinc/06/84/04/134068404.db2.gz LCHCTBYVZAVSEI-WCQGTBRESA-N 1 0 241.356 1.137 10 0 BDAERO CC[N@@H+]1CC[C@H](Nc2ccnc(C)n2)C1 ZINC000389349423 355980582 /nfs/dbraw/zinc/98/05/82/355980582.db2.gz VAHYTUILYGDKRQ-JTQLQIEISA-N 1 0 206.293 1.291 10 0 BDAERO CCCc1nc(=N[C@H]2CC[N@H+](CC)C2)s[n-]1 ZINC000389380454 355993522 /nfs/dbraw/zinc/99/35/22/355993522.db2.gz HXTJIJLJPXGFAO-VIFPVBQESA-N 1 0 240.376 1.419 10 0 BDAERO NC(=O)CNCc1ccccc1Br ZINC000019427914 181235946 /nfs/dbraw/zinc/23/59/46/181235946.db2.gz LZFFAERQNJISOF-UHFFFAOYSA-N 1 0 243.104 1.024 10 0 BDAERO NC(=O)CC[NH2+][C@H]1CCc2ccccc21 ZINC000035149349 181225799 /nfs/dbraw/zinc/22/57/99/181225799.db2.gz DBUAATVMVPMQCJ-NSHDSACASA-N 1 0 204.273 1.139 10 0 BDAERO CS[C@H](C)CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395252354 356106393 /nfs/dbraw/zinc/10/63/93/356106393.db2.gz KKSOCPPVXICTDW-UTLUCORTSA-N 1 0 230.377 1.242 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000020578034 181241648 /nfs/dbraw/zinc/24/16/48/181241648.db2.gz QTYOKKZUNQSOAD-GFCCVEGCSA-N 1 0 214.268 1.715 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000043388713 181244990 /nfs/dbraw/zinc/24/49/90/181244990.db2.gz QHTREIATERHJPP-QMMMGPOBSA-N 1 0 216.643 1.354 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1csc2ccccc21 ZINC000044252795 181245169 /nfs/dbraw/zinc/24/51/69/181245169.db2.gz PJIGJCBGENNUPC-VIFPVBQESA-N 1 0 220.297 1.777 10 0 BDAERO NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107823106 181251394 /nfs/dbraw/zinc/25/13/94/181251394.db2.gz NTSKEHBZFCADNG-SNVBAGLBSA-N 1 0 211.309 1.015 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCSC[C@@H]1C ZINC000193250915 356311486 /nfs/dbraw/zinc/31/14/86/356311486.db2.gz PDIXUCXYBRIBIZ-NWDGAFQWSA-N 1 0 247.404 1.601 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCC1)c1cccc(O)c1 ZINC000037968915 181264796 /nfs/dbraw/zinc/26/47/96/181264796.db2.gz UGJATLQMYTWLIJ-LBPRGKRZSA-N 1 0 234.299 1.451 10 0 BDAERO NC(=O)[C@@H]1C[NH2+]C[C@H](c2ccccc2F)C1 ZINC000082162817 181271788 /nfs/dbraw/zinc/27/17/88/181271788.db2.gz AYOYUOMWWVLYQT-BDAKNGLRSA-N 1 0 222.263 1.004 10 0 BDAERO [NH3+]CC1(c2nc3cccnc3s2)CC1 ZINC000168624826 356468301 /nfs/dbraw/zinc/46/83/01/356468301.db2.gz MYPMEVBXEJKVJA-UHFFFAOYSA-N 1 0 205.286 1.682 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CC1)c1ccc(F)cc1 ZINC000037856189 181277730 /nfs/dbraw/zinc/27/77/30/181277730.db2.gz KDIBFTLCGBBFSR-SNVBAGLBSA-N 1 0 208.236 1.104 10 0 BDAERO NC(=O)[C@]1([NH2+]CC2CC2)CCCc2ccccc21 ZINC000038000931 181284884 /nfs/dbraw/zinc/28/48/84/181284884.db2.gz AASYZBGNHMPTPF-HNNXBMFYSA-N 1 0 244.338 1.703 10 0 BDAERO NC(=O)c1c(Cl)cccc1NC1CC([NH3+])C1 ZINC000052905763 181285870 /nfs/dbraw/zinc/28/58/70/181285870.db2.gz XGEINDDGKGWCIZ-UHFFFAOYSA-N 1 0 239.706 1.341 10 0 BDAERO COC[C@H](C)C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000163315945 538458623 /nfs/dbraw/zinc/45/86/23/538458623.db2.gz YBHYGGGLRIWPRA-MXWKQRLJSA-N 1 0 201.310 1.162 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCCN(CCO)C2)cc1 ZINC000384380788 356632942 /nfs/dbraw/zinc/63/29/42/356632942.db2.gz ODLKSGCDCGRJIM-HNNXBMFYSA-N 1 0 248.370 1.541 10 0 BDAERO CO[C@](C)(C[NH2+]CC(C)(C)O)c1ccccc1 ZINC000384368505 356626608 /nfs/dbraw/zinc/62/66/08/356626608.db2.gz JKQGPODSSMYJJS-CQSZACIVSA-N 1 0 237.343 1.909 10 0 BDAERO CCC(=O)NC[C@H]1[NH2+]CCOc2ccccc21 ZINC000675057455 538479952 /nfs/dbraw/zinc/47/99/52/538479952.db2.gz CBCCCGISNYISIX-LLVKDONJSA-N 1 0 234.299 1.236 10 0 BDAERO COc1ccccc1[C@@H]1CC[C@H](C[NH3+])OC1 ZINC000675058573 538482464 /nfs/dbraw/zinc/48/24/64/538482464.db2.gz MGCSGYVIERNCJR-GHMZBOCLSA-N 1 0 221.300 1.917 10 0 BDAERO COc1ccc(C2([NH3+])CC(O)C2)cc1F ZINC000675058610 538482611 /nfs/dbraw/zinc/48/26/11/538482611.db2.gz OJRZYGVQEDCBCM-UHFFFAOYSA-N 1 0 211.236 1.143 10 0 BDAERO CC(C)C(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051591 538474847 /nfs/dbraw/zinc/47/48/47/538474847.db2.gz OXOVESFEMIVIRK-PWSUYJOCSA-N 1 0 210.321 1.291 10 0 BDAERO CCCNC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675056074 538477816 /nfs/dbraw/zinc/47/78/16/538477816.db2.gz JVJHTIIJYMNHQT-ZYHUDNBSSA-N 1 0 225.336 1.228 10 0 BDAERO CC(C)C[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056750 538478853 /nfs/dbraw/zinc/47/88/53/538478853.db2.gz OYCNZVFLRCYMLX-UHFFFAOYSA-N 1 0 245.388 1.589 10 0 BDAERO COc1nscc1-c1ccc(C[NH3+])c(F)n1 ZINC000675059625 538485305 /nfs/dbraw/zinc/48/53/05/538485305.db2.gz SNRYAWMIGOZDFV-UHFFFAOYSA-N 1 0 239.275 1.812 10 0 BDAERO COCC[C@@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675069911 538499023 /nfs/dbraw/zinc/49/90/23/538499023.db2.gz ZEBVXQIQBCJEAB-JTQLQIEISA-N 1 0 209.293 1.262 10 0 BDAERO CCc1cn2c(n1)[C@H]([C@@H]1CCOC1)[NH2+]CCC2 ZINC000675069851 538499029 /nfs/dbraw/zinc/49/90/29/538499029.db2.gz YSFAQFUNAFMODG-PWSUYJOCSA-N 1 0 235.331 1.516 10 0 BDAERO CCOCC[N@H+](CC)CC(O)(CC)CC ZINC000163009877 202139213 /nfs/dbraw/zinc/13/92/13/202139213.db2.gz CTBJWWBHDUIJNG-UHFFFAOYSA-N 1 0 217.353 1.896 10 0 BDAERO CC(C)CC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675069865 538499288 /nfs/dbraw/zinc/49/92/88/538499288.db2.gz IZRPCCHUYRCNMU-DDHJBXDOSA-N 1 0 224.348 1.522 10 0 BDAERO CC(C)(C)NC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675070148 538499681 /nfs/dbraw/zinc/49/96/81/538499681.db2.gz MJONRXBJCNWFBB-LMLFDSFASA-N 1 0 239.363 1.458 10 0 BDAERO CC(C)CC[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000675070100 538500323 /nfs/dbraw/zinc/50/03/23/538500323.db2.gz LNGACBFSEFZDHC-CQSZACIVSA-N 1 0 240.391 1.875 10 0 BDAERO [NH3+]Cc1cc2c(F)c(F)cc(F)c2[nH]c1=O ZINC000675070235 538500520 /nfs/dbraw/zinc/50/05/20/538500520.db2.gz SQJKUEAAYWCXTQ-UHFFFAOYSA-N 1 0 228.173 1.816 10 0 BDAERO CC(C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675070352 538501052 /nfs/dbraw/zinc/50/10/52/538501052.db2.gz OSOXVFWSZZFZIY-UKKRHICBSA-N 1 0 210.321 1.132 10 0 BDAERO CC(C)c1nn(C)cc1C1=CC[NH2+]CC1 ZINC000675070345 538501196 /nfs/dbraw/zinc/50/11/96/538501196.db2.gz ORBVKXWUQQXEDI-UHFFFAOYSA-N 1 0 205.305 1.920 10 0 BDAERO CCC[C@H](C)C(=O)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675071019 538501630 /nfs/dbraw/zinc/50/16/30/538501630.db2.gz VOYMHCSQSYNDNS-WDEREUQCSA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)[NH+]1CCC2(CC1)O[C@H]1C[C@H]1C2=O ZINC000675071251 538502593 /nfs/dbraw/zinc/50/25/93/538502593.db2.gz ZBRMUMKYVYAOEV-ZJUUUORDSA-N 1 0 209.289 1.217 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCCO[C@H](C)C1 ZINC000163005667 202143117 /nfs/dbraw/zinc/14/31/17/202143117.db2.gz NCRTVWKMTMJXJN-LLVKDONJSA-N 1 0 215.337 1.648 10 0 BDAERO N[C@@H]1C=C(C[C@@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076658 538511080 /nfs/dbraw/zinc/51/10/80/538511080.db2.gz FNOGBIFBDBWRQP-WCBMZHEXSA-N 1 0 216.275 1.669 10 0 BDAERO O=C(NC[C@]12C[C@H]1CCC[NH2+]2)C1CCC1 ZINC000675069564 538498118 /nfs/dbraw/zinc/49/81/18/538498118.db2.gz IFYISECCWZLFBC-ZYHUDNBSSA-N 1 0 208.305 1.045 10 0 BDAERO O[C@@H]1C=C(c2ccc(F)c(F)c2)C[NH2+]C1 ZINC000675077789 538513528 /nfs/dbraw/zinc/51/35/28/538513528.db2.gz RHCTTWDESIETCX-SECBINFHSA-N 1 0 211.211 1.312 10 0 BDAERO Cc1cc(C2=C[C@@H](O)C[NH2+]C2)ccc1F ZINC000675077835 538514376 /nfs/dbraw/zinc/51/43/76/538514376.db2.gz RSUOYQKGHFTLMU-LLVKDONJSA-N 1 0 207.248 1.482 10 0 BDAERO CC1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077972 538514716 /nfs/dbraw/zinc/51/47/16/538514716.db2.gz LIOAFSZHNJABOP-VIFPVBQESA-N 1 0 212.293 1.511 10 0 BDAERO O[C@H]1C=C(Cc2ccc(F)cc2)C[NH2+]C1 ZINC000675078152 538515249 /nfs/dbraw/zinc/51/52/49/538515249.db2.gz WKHVIAUFWHWPKV-LBPRGKRZSA-N 1 0 207.248 1.259 10 0 BDAERO [NH3+][C@@H]1C=C(c2cscc2C(F)F)CNC1 ZINC000675078805 538515781 /nfs/dbraw/zinc/51/57/81/538515781.db2.gz SXQYWWMAJVYJTK-SSDOTTSWSA-N 1 0 230.283 2.000 10 0 BDAERO Cc1ccc(C2=C[C@@H](N)C[NH2+]C2)c(C)c1 ZINC000675079438 538518684 /nfs/dbraw/zinc/51/86/84/538518684.db2.gz YVYHJEBHRIAUTP-GFCCVEGCSA-N 1 0 202.301 1.617 10 0 BDAERO [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)C1CCC1 ZINC000675079505 538518865 /nfs/dbraw/zinc/51/88/65/538518865.db2.gz HEBQTPRYZVUSMN-STQMWFEESA-N 1 0 230.311 1.527 10 0 BDAERO O[C@@H]1C=C(c2ccc(Cl)cc2)C[NH2+]C1 ZINC000675077077 538512878 /nfs/dbraw/zinc/51/28/78/538512878.db2.gz JIBCEEBKQOBOCV-LLVKDONJSA-N 1 0 209.676 1.688 10 0 BDAERO C[C@H](C[NH3+])CNc1ncc(F)cc1F ZINC000160388670 356697617 /nfs/dbraw/zinc/69/76/17/356697617.db2.gz JCHFBTNNOUVQCW-ZCFIWIBFSA-N 1 0 201.220 1.367 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(F)c(Br)c1 ZINC000085915927 538548784 /nfs/dbraw/zinc/54/87/84/538548784.db2.gz BADAQHLPZTURKV-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO COc1ccc(N2C[C@H]([NH3+])CCC2=O)cc1 ZINC000084012586 538525602 /nfs/dbraw/zinc/52/56/02/538525602.db2.gz QQKZXNFMYZAVMP-SECBINFHSA-N 1 0 220.272 1.149 10 0 BDAERO CCOC(=O)/C=C/CN(C)C1CC[NH+](C)CC1 ZINC000131100143 538593025 /nfs/dbraw/zinc/59/30/25/538593025.db2.gz DBTZDHLJLBTZHT-AATRIKPKSA-N 1 0 240.347 1.132 10 0 BDAERO CC(C)[C@H]([NH2+]Cc1ccccc1F)C(N)=O ZINC000223965608 538597088 /nfs/dbraw/zinc/59/70/88/538597088.db2.gz KAIWWZCUPFFRHZ-NSHDSACASA-N 1 0 224.279 1.425 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000152307049 357023466 /nfs/dbraw/zinc/02/34/66/357023466.db2.gz OOTLDCMHXHKGLT-NXEZZACHSA-N 1 0 226.345 1.784 10 0 BDAERO Cc1ccc(C(=O)[C@@H]2COCCN2)s1 ZINC000226430040 357053979 /nfs/dbraw/zinc/05/39/79/357053979.db2.gz LDCNXEXVDGOTBK-QMMMGPOBSA-N 1 0 211.286 1.228 10 0 BDAERO CCc1nc(C)cc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389719878 357019361 /nfs/dbraw/zinc/01/93/61/357019361.db2.gz DSOZMBBECTXUQE-ONGXEEELSA-N 1 0 234.347 1.179 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(O)c2)C1 ZINC000389938270 357071110 /nfs/dbraw/zinc/07/11/10/357071110.db2.gz BNNYHKBGRDIIGA-GFCCVEGCSA-N 1 0 248.326 1.145 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC(C)(C)CC(C)C ZINC000391313779 357128143 /nfs/dbraw/zinc/12/81/43/357128143.db2.gz YCIRLCHJEITERP-SNVBAGLBSA-N 1 0 214.353 1.783 10 0 BDAERO C[C@H](O)CC(C)(C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000393587439 357288591 /nfs/dbraw/zinc/28/85/91/357288591.db2.gz BJEIHZIGTDPFKB-WDEREUQCSA-N 1 0 231.380 1.780 10 0 BDAERO OC[C@]1(c2ccccc2Cl)CC[NH2+]C1 ZINC000259498041 538819752 /nfs/dbraw/zinc/81/97/52/538819752.db2.gz OYFSIHNDHPCRHF-NSHDSACASA-N 1 0 211.692 1.563 10 0 BDAERO CC(C)C1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188617629 357567917 /nfs/dbraw/zinc/56/79/17/357567917.db2.gz FBEVWGZSNGUFSC-VHSXEESVSA-N 1 0 228.311 1.239 10 0 BDAERO CCCn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cn1 ZINC000230702756 357572941 /nfs/dbraw/zinc/57/29/41/357572941.db2.gz JWOJYARBOJCIJY-STQMWFEESA-N 1 0 237.347 1.544 10 0 BDAERO CCCn1cc(C[NH2+]C[C@H]2CCC[C@H]2O)cn1 ZINC000230702768 357572975 /nfs/dbraw/zinc/57/29/75/357572975.db2.gz JWOJYARBOJCIJY-CHWSQXEVSA-N 1 0 237.347 1.544 10 0 BDAERO CCCCN(CC)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188201317 357534264 /nfs/dbraw/zinc/53/42/64/357534264.db2.gz CWRVVXILRMTTKI-VHSXEESVSA-N 1 0 216.300 1.335 10 0 BDAERO Cc1ccc(CC[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189304091 357630664 /nfs/dbraw/zinc/63/06/64/357630664.db2.gz QZHRRMYUUVCSKN-CYBMUJFWSA-N 1 0 246.354 1.748 10 0 BDAERO Cc1c[nH+]ccc1NC[C@@H]1CN(C)CCO1 ZINC000085791152 357623378 /nfs/dbraw/zinc/62/33/78/357623378.db2.gz FBAHWGKHOKKRLH-LLVKDONJSA-N 1 0 221.304 1.133 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)o1 ZINC000231742958 357624103 /nfs/dbraw/zinc/62/41/03/357624103.db2.gz CVKPOHZXODLJRP-ZJUUUORDSA-N 1 0 237.303 1.302 10 0 BDAERO CCn1cncc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000231294102 357599349 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538887029 /nfs/dbraw/zinc/88/70/29/538887029.db2.gz CJOWFUVAMVAAIW-HTQZYQBOSA-N 1 0 238.253 1.525 10 0 BDAERO CC(C)C(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000685946734 538887225 /nfs/dbraw/zinc/88/72/25/538887225.db2.gz MQVMXBGVEPKJSS-LLVKDONJSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)(C)NC(=O)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685946435 538888297 /nfs/dbraw/zinc/88/82/97/538888297.db2.gz KNIOISLPXGUBCV-JOYOIKCWSA-N 1 0 225.336 1.226 10 0 BDAERO CC[NH2+]Cc1ccc2c(c1C)OCCO2 ZINC000685947109 538888534 /nfs/dbraw/zinc/88/85/34/538888534.db2.gz IWRUAVNZZUXEEW-UHFFFAOYSA-N 1 0 207.273 1.876 10 0 BDAERO CC(C)CC(=O)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685947256 538888866 /nfs/dbraw/zinc/88/88/66/538888866.db2.gz SSCWWFAGHGATKR-CMPLNLGQSA-N 1 0 210.321 1.291 10 0 BDAERO CC(C)(C)NC(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947452 538889333 /nfs/dbraw/zinc/88/93/33/538889333.db2.gz KNSLRJJSNIUORH-UHFFFAOYSA-N 1 0 227.352 1.744 10 0 BDAERO CC1(C(=O)NC[C@@]23CC[C@@H]2CC[NH2+]3)CC1 ZINC000685947724 538889785 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/nfs/dbraw/zinc/14/88/77/491148877.db2.gz CGXFJWBCLHVVQC-UHFFFAOYSA-N 1 0 223.320 1.954 10 0 BDAERO CO[C@@H]1C[NH2+][C@@H](C(=O)c2csc(C)n2)C1 ZINC000306558439 360433366 /nfs/dbraw/zinc/43/33/66/360433366.db2.gz PFUQLUXLVSFDJU-JGVFFNPUSA-N 1 0 226.301 1.011 10 0 BDAERO CC[C@@H]1CS[C@](C)([C@@H]2CCC[NH2+]2)N1 ZINC000306580291 360470590 /nfs/dbraw/zinc/47/05/90/360470590.db2.gz OHPYRPYSVNIQET-KXUCPTDWSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]1CC[N@H+](CC2C[NH2+]C2)CCS1 ZINC000306585834 360484872 /nfs/dbraw/zinc/48/48/72/360484872.db2.gz IFLFREUKJXTYPE-SECBINFHSA-N 1 0 200.351 1.033 10 0 BDAERO CC1(C)CSCC[N@@H+]1[C@H]1C[C@H]1CO ZINC000306574552 360462653 /nfs/dbraw/zinc/46/26/53/360462653.db2.gz RHKDPBWUJVVBDZ-IUCAKERBSA-N 1 0 201.335 1.195 10 0 BDAERO CC(=O)C[C@@H](C)[N@@H+]1CCC[C@@]12CCOC2 ZINC000306600844 360528261 /nfs/dbraw/zinc/52/82/61/360528261.db2.gz ACHWTBHIQIKMKQ-PWSUYJOCSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@@H]1C[N@@H+]([C@H]2CCC[C@@H]2O)CCS1 ZINC000226291180 360530317 /nfs/dbraw/zinc/53/03/17/360530317.db2.gz XYVFUAHZDYNIHK-UTLUCORTSA-N 1 0 201.335 1.337 10 0 BDAERO CC(C)=CC(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000300788036 360502713 /nfs/dbraw/zinc/50/27/13/360502713.db2.gz YMOBCYXCQPTQIX-QWRGUYRKSA-N 1 0 210.321 1.504 10 0 BDAERO CC1(O)C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300793372 360505517 /nfs/dbraw/zinc/50/55/17/360505517.db2.gz BZEAVWHLURJHOH-QMMMGPOBSA-N 1 0 205.248 1.488 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2ncccc2F)C1 ZINC000309482210 491149512 /nfs/dbraw/zinc/14/95/12/491149512.db2.gz UFNXUSSXGITWNT-GXSJLCMTSA-N 1 0 223.295 1.973 10 0 BDAERO C[C@@H]1CCCN(C2(C[NH3+])CSC2)C1 ZINC000306592457 360511173 /nfs/dbraw/zinc/51/11/73/360511173.db2.gz WJCOCMVYASZWHR-SECBINFHSA-N 1 0 200.351 1.163 10 0 BDAERO CC1(C)[C@@H](C(F)(F)F)CCN1C(N)=[NH2+] ZINC000306597705 360519688 /nfs/dbraw/zinc/51/96/88/360519688.db2.gz ORBWLRXGECVLAR-YFKPBYRVSA-N 1 0 209.215 1.543 10 0 BDAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1cccc(Cl)c1 ZINC000039418362 360614350 /nfs/dbraw/zinc/61/43/50/360614350.db2.gz MOMIXGTYNLLVBV-ZJUUUORDSA-N 1 0 213.664 1.052 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2C[NH3+] ZINC000238139689 360608971 /nfs/dbraw/zinc/60/89/71/360608971.db2.gz XKZNMNKZDDJEEL-IWSPIJDZSA-N 1 0 212.293 1.201 10 0 BDAERO NC(=O)c1cccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000089163325 181303631 /nfs/dbraw/zinc/30/36/31/181303631.db2.gz YBEIVVDXYPXPRP-CHWSQXEVSA-N 1 0 248.326 1.036 10 0 BDAERO C/C(=C/Cl)CN1[C@H](C)C[NH2+]C[C@H]1C ZINC000379299702 360630622 /nfs/dbraw/zinc/63/06/22/360630622.db2.gz FUWFPFNWZVPYRU-QPGUZKIZSA-N 1 0 202.729 1.811 10 0 BDAERO NC(=O)c1ccccc1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063214648 181306734 /nfs/dbraw/zinc/30/67/34/181306734.db2.gz RJJPMZMOUIFMCL-YPMHNXCESA-N 1 0 247.342 1.857 10 0 BDAERO FC1(C[NH2+]C[C@H]2CCn3ccnc3C2)CC1 ZINC000309574358 491151976 /nfs/dbraw/zinc/15/19/76/491151976.db2.gz OGTUMDXKSOAPOM-JTQLQIEISA-N 1 0 223.295 1.537 10 0 BDAERO NC(=S)CC[N@H+](CCc1ccccn1)C1CC1 ZINC000042531520 181315670 /nfs/dbraw/zinc/31/56/70/181315670.db2.gz LIOFGGTUYXNQPS-UHFFFAOYSA-N 1 0 249.383 1.765 10 0 BDAERO COc1cc(C(F)(F)F)c(C[NH3+])cn1 ZINC000238336819 360884691 /nfs/dbraw/zinc/88/46/91/360884691.db2.gz CBJLXAWENBWELD-UHFFFAOYSA-N 1 0 206.167 1.568 10 0 BDAERO COc1cncc(OC(F)(F)F)c1C[NH3+] ZINC000238347253 360909446 /nfs/dbraw/zinc/90/94/46/360909446.db2.gz NXGDHYAKGXXNMI-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc(Cl)ccn1 ZINC000238359896 360931696 /nfs/dbraw/zinc/93/16/96/360931696.db2.gz APDZVDMWTWXOSV-ZETCQYMHSA-N 1 0 214.652 1.298 10 0 BDAERO C[C@H]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000417552806 200809152 /nfs/dbraw/zinc/80/91/52/200809152.db2.gz FJJXMFAOJMUXDI-SRVKXCTJSA-N 1 0 239.363 1.698 10 0 BDAERO Nc1cc[nH+]cc1CC(=O)C1CCCC1 ZINC000069941383 361163377 /nfs/dbraw/zinc/16/33/77/361163377.db2.gz UXNALPVRKONHBX-UHFFFAOYSA-N 1 0 204.273 1.966 10 0 BDAERO C[C@H](C(N)=[NH2+])N1CCSCC[C@H]1C ZINC000306626344 361292774 /nfs/dbraw/zinc/29/27/74/361292774.db2.gz HPWFSEJBHNMVFZ-HTQZYQBOSA-N 1 0 201.339 1.138 10 0 BDAERO FC[C@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000306630656 361299728 /nfs/dbraw/zinc/29/97/28/361299728.db2.gz CUCLKGYSRFSPOX-SNVBAGLBSA-N 1 0 214.309 1.664 10 0 BDAERO FC[C@@H](c1ccsc1)N1CC[NH2+]CC1 ZINC000306630654 361299862 /nfs/dbraw/zinc/29/98/62/361299862.db2.gz CUCLKGYSRFSPOX-JTQLQIEISA-N 1 0 214.309 1.664 10 0 BDAERO CCC[NH2+]CCNc1ncccc1OC ZINC000160279466 361303122 /nfs/dbraw/zinc/30/31/22/361303122.db2.gz DWSWXLNWUVREIL-UHFFFAOYSA-N 1 0 209.293 1.502 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CCCO2)o1 ZINC000309811563 491157106 /nfs/dbraw/zinc/15/71/06/491157106.db2.gz UIWKLOSTOZEMPA-KCJUWKMLSA-N 1 0 224.304 1.949 10 0 BDAERO CC1(C)[C@H](O)C[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000249287288 361352359 /nfs/dbraw/zinc/35/23/59/361352359.db2.gz SZTCVUCRUOKVLV-NWDGAFQWSA-N 1 0 247.342 1.460 10 0 BDAERO [NH3+]C12C[C@H]3C[C@@H](C1)CC(O[N+](=O)[O-])(C3)C2 ZINC000000546914 181336799 /nfs/dbraw/zinc/33/67/99/181336799.db2.gz ROIZUFMNAWKLHK-BQKDNTBBSA-N 1 0 212.249 1.245 10 0 BDAERO CCN(Cc1ccoc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000629599561 361487291 /nfs/dbraw/zinc/48/72/91/361487291.db2.gz JEAJUBUIXWPVTG-LLVKDONJSA-N 1 0 222.288 1.238 10 0 BDAERO COC(C)(C)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000306637714 361570322 /nfs/dbraw/zinc/57/03/22/361570322.db2.gz MHCAMXGPVGMHTI-VIFPVBQESA-N 1 0 201.310 1.114 10 0 BDAERO C[C@@H]1[C@H](O)CCC[N@@H+]1CCOCC1CC1 ZINC000448549045 201215060 /nfs/dbraw/zinc/21/50/60/201215060.db2.gz HKBBYOALVVBEPF-ZYHUDNBSSA-N 1 0 213.321 1.258 10 0 BDAERO Cc1nccn1CCC[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000448549071 201215494 /nfs/dbraw/zinc/21/54/94/201215494.db2.gz NRIPULNJIKQZBW-AAEUAGOBSA-N 1 0 237.347 1.427 10 0 BDAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(C(C)(C)C)no2)C1 ZINC000629685884 361608300 /nfs/dbraw/zinc/60/83/00/361608300.db2.gz IUUUVLYJWGOGMX-PRHODGIISA-N 1 0 239.319 1.591 10 0 BDAERO [NH3+]C1CC(NC(=O)c2cc(F)cc(F)c2)C1 ZINC000036256649 181340806 /nfs/dbraw/zinc/34/08/06/181340806.db2.gz AOWNXGOWXIVFBH-UHFFFAOYSA-N 1 0 226.226 1.184 10 0 BDAERO [NH3+]C1CC(NC(=O)Nc2ccccc2Cl)C1 ZINC000036263517 181340324 /nfs/dbraw/zinc/34/03/24/181340324.db2.gz HEOXNZQTRCIRAI-UHFFFAOYSA-N 1 0 239.706 1.951 10 0 BDAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nn1 ZINC000310039921 491159887 /nfs/dbraw/zinc/15/98/87/491159887.db2.gz XKTHDXRSSOPEKG-JQWIXIFHSA-N 1 0 222.336 1.874 10 0 BDAERO C[C@@]1(CN2CCSCC2)CCC[NH2+]1 ZINC000070619560 361643712 /nfs/dbraw/zinc/64/37/12/361643712.db2.gz YVFFXZPBUOLXCV-JTQLQIEISA-N 1 0 200.351 1.177 10 0 BDAERO [NH3+]C1CCC(OCCc2ccncc2)CC1 ZINC000055143190 181342346 /nfs/dbraw/zinc/34/23/46/181342346.db2.gz ZBINXRRXKBHTPD-UHFFFAOYSA-N 1 0 220.316 1.911 10 0 BDAERO Cc1ccc(-c2cnn(CCC[NH3+])c2)o1 ZINC000629717603 361659402 /nfs/dbraw/zinc/65/94/02/361659402.db2.gz RHBUWYNLDFRMCU-UHFFFAOYSA-N 1 0 205.261 1.800 10 0 BDAERO [NH3+]C1CCN(C(=O)Oc2ccccc2)CC1 ZINC000019815564 181343463 /nfs/dbraw/zinc/34/34/63/181343463.db2.gz WFCXDKFKBGCNKI-UHFFFAOYSA-N 1 0 220.272 1.609 10 0 BDAERO Cc1c(Cl)cnn1C[C@@H]1CCCC[NH2+]1 ZINC000070630467 361682781 /nfs/dbraw/zinc/68/27/81/361682781.db2.gz AROUTXYDQWKSGW-VIFPVBQESA-N 1 0 213.712 1.987 10 0 BDAERO C[C@H]1CC[C@](C[NH3+])(N2CCSCC2)C1 ZINC000070644401 361693442 /nfs/dbraw/zinc/69/34/42/361693442.db2.gz QNFJCSZIWXHTKP-QWRGUYRKSA-N 1 0 214.378 1.553 10 0 BDAERO [NH3+]CC(=O)N(CCOc1ccccc1)C1CC1 ZINC000077369033 181347741 /nfs/dbraw/zinc/34/77/41/181347741.db2.gz YTUWNYVRBKARLI-UHFFFAOYSA-N 1 0 234.299 1.015 10 0 BDAERO [NH3+]CC(=O)N1CC[C@H]1c1ccccc1F ZINC000309527903 181350946 /nfs/dbraw/zinc/35/09/46/181350946.db2.gz CFAVHNIEBGSAFV-JTQLQIEISA-N 1 0 208.236 1.058 10 0 BDAERO C[C@@H]1C[C@H](Cn2cc[nH+]c2N)C[C@H](C)O1 ZINC000724425239 541321319 /nfs/dbraw/zinc/32/13/19/541321319.db2.gz FIRCSYCTZJWCSQ-MYJAWHEDSA-N 1 0 209.293 1.669 10 0 BDAERO Cc1ccc(COC2CC[NH2+]CC2)cn1 ZINC000204309927 363951062 /nfs/dbraw/zinc/95/10/62/363951062.db2.gz UQCJJLZJZQHFOH-UHFFFAOYSA-N 1 0 206.289 1.659 10 0 BDAERO CCC(CC)C(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359207 364076623 /nfs/dbraw/zinc/07/66/23/364076623.db2.gz DQXKLKWKRSFQAI-YPMHNXCESA-N 1 0 242.363 1.387 10 0 BDAERO CO[C@@H]1CN(C(=O)CCC2CC2)[C@](C)(C[NH3+])C1 ZINC000630368196 364085304 /nfs/dbraw/zinc/08/53/04/364085304.db2.gz FWWSWCMVDNHOCG-AAEUAGOBSA-N 1 0 240.347 1.141 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359391 364079251 /nfs/dbraw/zinc/07/92/51/364079251.db2.gz CTJSPKXEPPLGQS-SRVKXCTJSA-N 1 0 214.353 1.471 10 0 BDAERO CCCCOCCN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361154 364080308 /nfs/dbraw/zinc/08/03/08/364080308.db2.gz IMWMPAYJFUUESG-OLZOCXBDSA-N 1 0 244.379 1.241 10 0 BDAERO CO[C@H]1CN(C(=O)CC(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000630361028 364081357 /nfs/dbraw/zinc/08/13/57/364081357.db2.gz KWEXPOSDFXWBQQ-ZWNOBZJWSA-N 1 0 242.363 1.387 10 0 BDAERO C=Cc1ccc([C@H]2CC[NH2+]C[C@@H]2N)cc1 ZINC000725241574 541329928 /nfs/dbraw/zinc/32/99/28/541329928.db2.gz ZSGISOJMFBOCIA-OLZOCXBDSA-N 1 0 202.301 1.734 10 0 BDAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000037480189 364063049 /nfs/dbraw/zinc/06/30/49/364063049.db2.gz QFKXNJVALPMREG-WDEREUQCSA-N 1 0 228.336 1.058 10 0 BDAERO Cc1csc(NC(=O)C2CCC([NH3+])CC2)n1 ZINC000037481838 364063852 /nfs/dbraw/zinc/06/38/52/364063852.db2.gz WDUFXKBZQIXMGC-UHFFFAOYSA-N 1 0 239.344 1.908 10 0 BDAERO CCCCNC(=O)NC[C@@H]([NH3+])[C@@H](C)CC ZINC000725254985 541331964 /nfs/dbraw/zinc/33/19/64/541331964.db2.gz MKHWXWQRPSPGEI-VHSXEESVSA-N 1 0 215.341 1.459 10 0 BDAERO O=C(C1CC1)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263430 541336543 /nfs/dbraw/zinc/33/65/43/541336543.db2.gz GFWCFIMGTPPFIR-KCQAQPDRSA-N 1 0 248.370 1.777 10 0 BDAERO CCC(C)(C)NC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000725271289 541339739 /nfs/dbraw/zinc/33/97/39/541339739.db2.gz KDILJGNANMUKAJ-QWRGUYRKSA-N 1 0 241.379 1.801 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)CC1CC1 ZINC000725271562 541339824 /nfs/dbraw/zinc/33/98/24/541339824.db2.gz PRSDECJOJOIRPW-KOLCDFICSA-N 1 0 210.321 1.148 10 0 BDAERO CCC(C)(C)NC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000725271287 541339831 /nfs/dbraw/zinc/33/98/31/541339831.db2.gz KDILJGNANMUKAJ-GHMZBOCLSA-N 1 0 241.379 1.801 10 0 BDAERO [NH3+]CC1(C(=O)N2CCCC2)CCCCC1 ZINC000044753598 181357482 /nfs/dbraw/zinc/35/74/82/181357482.db2.gz UGZLSNPADVBSGO-UHFFFAOYSA-N 1 0 210.321 1.518 10 0 BDAERO CCCOc1nccnc1NC[C@@H]([NH3+])C(C)C ZINC000630508925 364195220 /nfs/dbraw/zinc/19/52/20/364195220.db2.gz GWBFUIOXFPNFPL-SNVBAGLBSA-N 1 0 238.335 1.083 10 0 BDAERO CCCOc1nccnc1N(C)CC(C)(C)[NH3+] ZINC000630516791 364202243 /nfs/dbraw/zinc/20/22/43/364202243.db2.gz KTXCKEMWMLNCCF-UHFFFAOYSA-N 1 0 238.335 1.439 10 0 BDAERO C[C@H]1CC[C@@H](N=c2[nH]c3ccccc3o2)C[NH2+]1 ZINC000630533026 364222961 /nfs/dbraw/zinc/22/29/61/364222961.db2.gz MRXQAMOJPVJVLX-VHSXEESVSA-N 1 0 231.299 1.802 10 0 BDAERO [NH3+]C1(CNc2ccc(Cl)cn2)CCOCC1 ZINC000630528371 364216919 /nfs/dbraw/zinc/21/69/19/364216919.db2.gz ZWUKFIPCTFQGGS-UHFFFAOYSA-N 1 0 241.722 1.655 10 0 BDAERO Cc1cnc(N[C@H]2CC[C@H](C)[NH2+]C2)nc1C ZINC000630532281 364221671 /nfs/dbraw/zinc/22/16/71/364221671.db2.gz HGWXHDCOIJIAQP-ONGXEEELSA-N 1 0 220.320 1.646 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncncc1Cl ZINC000630543867 364238834 /nfs/dbraw/zinc/23/88/34/364238834.db2.gz DCCNMNBTRWWMOW-POYBYMJQSA-N 1 0 212.684 1.292 10 0 BDAERO COc1cc(N2CCCCC[C@H]([NH3+])C2)ncn1 ZINC000630550653 364243855 /nfs/dbraw/zinc/24/38/55/364243855.db2.gz WKWSWGVCYNFRRK-JTQLQIEISA-N 1 0 236.319 1.193 10 0 BDAERO [NH3+][C@H]1CCCCCN(c2ncccn2)C1 ZINC000630551086 364245064 /nfs/dbraw/zinc/24/50/64/364245064.db2.gz YAIZKKCTQAFSIK-JTQLQIEISA-N 1 0 206.293 1.184 10 0 BDAERO Cc1cnc(N2C[C@@H](C[NH3+])[C@H](C)C2)nc1C ZINC000630554124 364249418 /nfs/dbraw/zinc/24/94/18/364249418.db2.gz OKRHYNTWOORRHH-MWLCHTKSSA-N 1 0 220.320 1.124 10 0 BDAERO C[C@@H]1CN(c2nnc(C(F)F)s2)C[C@H]1C[NH3+] ZINC000630554515 364250222 /nfs/dbraw/zinc/25/02/22/364250222.db2.gz PTQHZQVBSWAMGD-PHDIDXHHSA-N 1 0 248.302 1.507 10 0 BDAERO C[C@@H]1CN(c2nccc3occc32)C[C@@H]1C[NH3+] ZINC000630554505 364250225 /nfs/dbraw/zinc/25/02/25/364250225.db2.gz PPYCNJBOTVKDBD-ZJUUUORDSA-N 1 0 231.299 1.859 10 0 BDAERO CCc1csc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630555016 364252867 /nfs/dbraw/zinc/25/28/67/364252867.db2.gz YAWVBKDPOPYINE-DTWKUNHWSA-N 1 0 225.361 1.737 10 0 BDAERO CCc1csc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630555018 364253240 /nfs/dbraw/zinc/25/32/40/364253240.db2.gz YAWVBKDPOPYINE-RKDXNWHRSA-N 1 0 225.361 1.737 10 0 BDAERO C[C@H]1CN(c2ccnc3cccnc32)C[C@H]1C[NH3+] ZINC000630554830 364253405 /nfs/dbraw/zinc/25/34/05/364253405.db2.gz UDBDTOWNCHUHDL-WDEREUQCSA-N 1 0 242.326 1.661 10 0 BDAERO CC(C)c1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000630566723 364263797 /nfs/dbraw/zinc/26/37/97/364263797.db2.gz FUOFLZWSEHZRTQ-MNOVXSKESA-N 1 0 234.347 1.631 10 0 BDAERO Cc1cccc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630568695 364264728 /nfs/dbraw/zinc/26/47/28/364264728.db2.gz IQEYYYMRSRHPBQ-MWLCHTKSSA-N 1 0 205.305 1.421 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2ccnc3cccnc32)C[NH2+]1 ZINC000630533478 364225583 /nfs/dbraw/zinc/22/55/83/364225583.db2.gz PPRCQNQQEPBNNJ-GHMZBOCLSA-N 1 0 242.326 1.604 10 0 BDAERO Cc1noc2ncnc(N[C@H]3CC[C@@H](C)[NH2+]C3)c12 ZINC000630533544 364226362 /nfs/dbraw/zinc/22/63/62/364226362.db2.gz CXEYAPWJCKTDAN-APPZFPTMSA-N 1 0 247.302 1.479 10 0 BDAERO Cc1nccc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630534300 364227461 /nfs/dbraw/zinc/22/74/61/364227461.db2.gz VRUGGZHGXJAOEG-PSASIEDQSA-N 1 0 206.293 1.337 10 0 BDAERO Cc1cccc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630534879 364229536 /nfs/dbraw/zinc/22/95/36/364229536.db2.gz QEPPCDHVFYTGKD-GXSJLCMTSA-N 1 0 205.305 1.942 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2ccc(F)cn2)C[NH2+]1 ZINC000630535392 364230079 /nfs/dbraw/zinc/23/00/79/364230079.db2.gz UZIIPATWFNOLQY-PSASIEDQSA-N 1 0 209.268 1.773 10 0 BDAERO [NH3+]CC1(OCC2CCOCC2)CCCC1 ZINC000052150939 181361674 /nfs/dbraw/zinc/36/16/74/181361674.db2.gz QQOBTQBGXRKRMR-UHFFFAOYSA-N 1 0 213.321 1.701 10 0 BDAERO CC(C)C1(C[NH2+]C2CCN(CCO)CC2)CC1 ZINC000398968635 364377709 /nfs/dbraw/zinc/37/77/09/364377709.db2.gz UCHPNDPMYUGCOK-UHFFFAOYSA-N 1 0 240.391 1.469 10 0 BDAERO Cc1cnc(C[NH2+][C@@H]2CCO[C@H]2C)cn1 ZINC000134391452 364401974 /nfs/dbraw/zinc/40/19/74/364401974.db2.gz UWOGOCHILMUQCD-GXSJLCMTSA-N 1 0 207.277 1.052 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000156285934 201417653 /nfs/dbraw/zinc/41/76/53/201417653.db2.gz CLILZWJYXXCAJA-STQMWFEESA-N 1 0 227.348 1.554 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000170859498 364532396 /nfs/dbraw/zinc/53/23/96/364532396.db2.gz FWWKEWMLPMUTRK-RYUDHWBXSA-N 1 0 222.332 1.505 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000170859496 364532416 /nfs/dbraw/zinc/53/24/16/364532416.db2.gz FWWKEWMLPMUTRK-NWDGAFQWSA-N 1 0 222.332 1.505 10 0 BDAERO CCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246739330 364608385 /nfs/dbraw/zinc/60/83/85/364608385.db2.gz FZWVBCRGLVUVDB-NWDGAFQWSA-N 1 0 242.363 1.090 10 0 BDAERO CCn1ccnc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247238234 364621068 /nfs/dbraw/zinc/62/10/68/364621068.db2.gz MYKYBCDUAIIRGF-CHWSQXEVSA-N 1 0 248.374 1.572 10 0 BDAERO CC(C)n1cc([C@H]2OCC[C@@H]2C[NH3+])cn1 ZINC000232777759 541373501 /nfs/dbraw/zinc/37/35/01/541373501.db2.gz SCRBMAXHJGZSOG-KOLCDFICSA-N 1 0 209.293 1.500 10 0 BDAERO [NH3+]CCC(=O)OCc1ccc(Cl)cc1 ZINC000049815517 181370090 /nfs/dbraw/zinc/37/00/90/181370090.db2.gz JEJLMSHRLDGVNT-UHFFFAOYSA-N 1 0 213.664 1.732 10 0 BDAERO CCOC(=O)c1ccccc1[C@H]1C[NH2+]CCN1 ZINC000139751746 364747868 /nfs/dbraw/zinc/74/78/68/364747868.db2.gz IBOUVYLWFGIETO-GFCCVEGCSA-N 1 0 234.299 1.097 10 0 BDAERO CCc1nc(CC[NH2+]Cc2cc[nH]c2)no1 ZINC000267947272 364727852 /nfs/dbraw/zinc/72/78/52/364727852.db2.gz SJYSXSUAABJUFA-UHFFFAOYSA-N 1 0 220.276 1.292 10 0 BDAERO C[C@@H]1SCCC[C@]12C[C@]2(C[NH3+])CO ZINC000252658995 364731792 /nfs/dbraw/zinc/73/17/92/364731792.db2.gz RNJRFUYONBCMLT-GUBZILKMSA-N 1 0 201.335 1.229 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000081926326 541380930 /nfs/dbraw/zinc/38/09/30/541380930.db2.gz UOUZOYJFBVKJOM-DTWKUNHWSA-N 1 0 219.350 1.327 10 0 BDAERO CCS(=O)(=O)[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000081926331 541380949 /nfs/dbraw/zinc/38/09/49/541380949.db2.gz UOUZOYJFBVKJOM-BDAKNGLRSA-N 1 0 219.350 1.327 10 0 BDAERO O=C1CCCC(=O)C1[C@@H]1CCCCC[NH2+]1 ZINC000230796345 541415007 /nfs/dbraw/zinc/41/50/07/541415007.db2.gz VNRBOSRGMUEFKU-VIFPVBQESA-N 1 0 209.289 1.457 10 0 BDAERO Cc1cc(C)c2[nH]c(=O)c(C[NH3+])cc2c1 ZINC000004902043 541419307 /nfs/dbraw/zinc/41/93/07/541419307.db2.gz XKPAUVOEFJXNRV-UHFFFAOYSA-N 1 0 202.257 1.604 10 0 BDAERO C[C@H](C(=O)N1CCC2(C[NH2+]C2)C1)C(C)(C)C ZINC000675053016 541430723 /nfs/dbraw/zinc/43/07/23/541430723.db2.gz DLJAXUXBGOJWCU-SNVBAGLBSA-N 1 0 224.348 1.491 10 0 BDAERO [NH3+]CCCCOc1ccc2c(c1)OCO2 ZINC000019843542 181378838 /nfs/dbraw/zinc/37/88/38/181378838.db2.gz RMWDZGHGKKWYRL-UHFFFAOYSA-N 1 0 209.245 1.533 10 0 BDAERO CC[C@H](C)CNc1noc2c1CC[NH2+]C2 ZINC000669385011 541438551 /nfs/dbraw/zinc/43/85/51/541438551.db2.gz SCPGEKHUTVBEIL-QMMMGPOBSA-N 1 0 209.293 1.778 10 0 BDAERO NC(=O)N(CCC[NH3+])C1CCCCCC1 ZINC000034960258 181379525 /nfs/dbraw/zinc/37/95/25/181379525.db2.gz JGNXXAHTQQTERJ-UHFFFAOYSA-N 1 0 213.325 1.439 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000082818566 541435098 /nfs/dbraw/zinc/43/50/98/541435098.db2.gz NJZLKXQXIPNBQY-DTWKUNHWSA-N 1 0 205.323 1.081 10 0 BDAERO C[C@](O)(COCc1ccccc1)C1(C[NH3+])CC1 ZINC000669377178 541436541 /nfs/dbraw/zinc/43/65/41/541436541.db2.gz IOSUQTDUIBNWRO-ZDUSSCGKSA-N 1 0 235.327 1.693 10 0 BDAERO C[C@@H](C[NH3+])[C@@H](O)c1ccc(Cl)cn1 ZINC000669377159 541436547 /nfs/dbraw/zinc/43/65/47/541436547.db2.gz HTBIBFINYFUPOZ-IMTBSYHQSA-N 1 0 200.669 1.363 10 0 BDAERO [NH3+]CCC[C@@H](C(=O)NC1CC1)c1ccncc1 ZINC000076615384 181385082 /nfs/dbraw/zinc/38/50/82/181385082.db2.gz GKUPGRIETRPJLE-GFCCVEGCSA-N 1 0 233.315 1.183 10 0 BDAERO [NH3+]CCCc1nc(-c2ccccc2F)n[nH]1 ZINC000072236598 181386723 /nfs/dbraw/zinc/38/67/23/181386723.db2.gz KDBWCZGTTDPQNZ-UHFFFAOYSA-N 1 0 220.251 1.502 10 0 BDAERO [NH3+]CCCc1nc2cc(Cl)cnc2[nH]1 ZINC000019752688 181386748 /nfs/dbraw/zinc/38/67/48/181386748.db2.gz GSWBLRDAVNHGSP-UHFFFAOYSA-N 1 0 210.668 1.503 10 0 BDAERO [NH3+]CCCc1nnc2ccc(C(F)(F)F)cn21 ZINC000034974938 181388098 /nfs/dbraw/zinc/38/80/98/181388098.db2.gz QTOHDSVBESOMTG-UHFFFAOYSA-N 1 0 244.220 1.639 10 0 BDAERO [NH3+]CCCc1nnc(-c2cc(F)cc(F)c2)o1 ZINC000050283583 181388175 /nfs/dbraw/zinc/38/81/75/181388175.db2.gz QPMMQDYXHPGCOO-UHFFFAOYSA-N 1 0 239.225 1.906 10 0 BDAERO [NH3+]CCCc1noc([C@@H]2CCCCO2)n1 ZINC000054138914 181388532 /nfs/dbraw/zinc/38/85/32/181388532.db2.gz LIIBNYUYMRYGRL-QMMMGPOBSA-N 1 0 211.265 1.203 10 0 BDAERO [NH3+]CCN(c1ncnc2ccccc21)C1CC1 ZINC000104303348 181390814 /nfs/dbraw/zinc/39/08/14/181390814.db2.gz XPDVDIZXXWQURH-UHFFFAOYSA-N 1 0 228.299 1.557 10 0 BDAERO [NH3+]CCN(Cc1ccncc1)Cc1ccccn1 ZINC000076625014 181390816 /nfs/dbraw/zinc/39/08/16/181390816.db2.gz BKWYEMJBLPNPDL-UHFFFAOYSA-N 1 0 242.326 1.438 10 0 BDAERO [NH3+]CCNC[C@@H](O)c1ccc2ccccc2c1 ZINC000050523585 181397708 /nfs/dbraw/zinc/39/77/08/181397708.db2.gz GLAXMKZXHVVJHU-CQSZACIVSA-N 1 0 230.311 1.422 10 0 BDAERO Nc1c(NCC[NH3+])ccc2ncccc12 ZINC000052815352 181398531 /nfs/dbraw/zinc/39/85/31/181398531.db2.gz ULAQTKXFNJQOEH-UHFFFAOYSA-N 1 0 202.261 1.188 10 0 BDAERO [NH3+]CCOc1cc(=O)oc2ccccc12 ZINC000140256894 181399259 /nfs/dbraw/zinc/39/92/59/181399259.db2.gz RJDRWTOGAULVGY-UHFFFAOYSA-N 1 0 205.213 1.131 10 0 BDAERO [NH3+]CCOCCc1ccc(Br)cc1 ZINC000057955821 181399342 /nfs/dbraw/zinc/39/93/42/181399342.db2.gz OAPJUUCNLMOTAN-UHFFFAOYSA-N 1 0 244.132 1.967 10 0 BDAERO [NH3+]CC[C@H]1C(=O)Nc2c1c(Cl)ccc2F ZINC000082452213 181408808 /nfs/dbraw/zinc/40/88/08/181408808.db2.gz QDFXCNUIFVGETE-RXMQYKEDSA-N 1 0 228.654 1.864 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000085916109 181403365 /nfs/dbraw/zinc/40/33/65/181403365.db2.gz XOBIXOGNHHLXHZ-SECBINFHSA-N 1 0 235.205 1.967 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2CC(C)C2)C1 ZINC000575044755 365175293 /nfs/dbraw/zinc/17/52/93/365175293.db2.gz WSXNBVKWMDPECH-YECOWLKZSA-N 1 0 224.348 1.618 10 0 BDAERO [NH3+]CC[C@H]1CCO[C@H](c2ccccc2)O1 ZINC000095557365 181410892 /nfs/dbraw/zinc/41/08/92/181410892.db2.gz LJKUWGLQYXGUBX-RYUDHWBXSA-N 1 0 207.273 1.840 10 0 BDAERO [NH3+]CCc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000021968474 181411870 /nfs/dbraw/zinc/41/18/70/181411870.db2.gz SRGZXUQDEWIUKY-UHFFFAOYSA-N 1 0 248.326 1.189 10 0 BDAERO [NH3+]CCc1nnc(C2(c3ccccc3)CCC2)[nH]1 ZINC000062782367 181413538 /nfs/dbraw/zinc/41/35/38/181413538.db2.gz SXMVVFFVRMNNAE-UHFFFAOYSA-N 1 0 242.326 1.776 10 0 BDAERO CC(C)[NH2+]CCCN=c1[nH]c2ccccc2[nH]1 ZINC000576093692 365480944 /nfs/dbraw/zinc/48/09/44/365480944.db2.gz OWBYTUSDTNALOF-UHFFFAOYSA-N 1 0 232.331 1.785 10 0 BDAERO CCNC(=O)NCCCC1([NH3+])CCCCC1 ZINC000675074321 541467537 /nfs/dbraw/zinc/46/75/37/541467537.db2.gz TYDVRHYRXKJVQA-UHFFFAOYSA-N 1 0 227.352 1.747 10 0 BDAERO CCc1cn2c([nH+]1)NCC[C@H]2[C@H]1CCOC1 ZINC000234201188 541511925 /nfs/dbraw/zinc/51/19/25/541511925.db2.gz CYCCYQZKGPMCID-ONGXEEELSA-N 1 0 221.304 1.839 10 0 BDAERO CCCc1cc2n(n1)[C@H]1CC[NH2+]C[C@H]1CN2 ZINC000233379275 541509118 /nfs/dbraw/zinc/50/91/18/541509118.db2.gz ZTWOQNOUKFAWDI-ONGXEEELSA-N 1 0 220.320 1.412 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000380979584 367329685 /nfs/dbraw/zinc/32/96/85/367329685.db2.gz CDSGQAAWDAPNFP-RTXFEEFZSA-N 1 0 226.364 1.220 10 0 BDAERO CC[C@H]([NH2+]C1CN(C(=O)OC)C1)C(C)(C)C ZINC000381349374 367385859 /nfs/dbraw/zinc/38/58/59/367385859.db2.gz BIBNQMMRVALJGE-JTQLQIEISA-N 1 0 228.336 1.851 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000381512849 367423641 /nfs/dbraw/zinc/42/36/41/367423641.db2.gz YAAVVEZDCKTNJV-BFIGBBASSA-N 1 0 221.275 1.809 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1C[C@H]1CO)c1ccc(F)cc1 ZINC000381984919 367475387 /nfs/dbraw/zinc/47/53/87/367475387.db2.gz GFOVDJJSDJTNND-XHVZSJERSA-N 1 0 223.291 1.900 10 0 BDAERO CC(C)Oc1cncc(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000381556855 367430075 /nfs/dbraw/zinc/43/00/75/367430075.db2.gz HEEVJDUHLNZGJG-BDAKNGLRSA-N 1 0 224.308 1.411 10 0 BDAERO COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000382331558 367509514 /nfs/dbraw/zinc/50/95/14/367509514.db2.gz WPSPUGTXBVVSBZ-LPWJVIDDSA-N 1 0 227.348 1.959 10 0 BDAERO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000382403017 367515982 /nfs/dbraw/zinc/51/59/82/367515982.db2.gz QWDXHNGZDJWCBY-FPQZTECRSA-N 1 0 224.348 1.236 10 0 BDAERO CCc1ncnc(N[C@@H]2CC[C@H](C[NH3+])C2)c1F ZINC000382408721 367517654 /nfs/dbraw/zinc/51/76/54/367517654.db2.gz CKXHJAYQOXSIHO-DTWKUNHWSA-N 1 0 238.310 1.717 10 0 BDAERO CCOc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)ncn1 ZINC000382416844 367518987 /nfs/dbraw/zinc/51/89/87/367518987.db2.gz HTXXVNADMFIVMK-NXEZZACHSA-N 1 0 236.319 1.415 10 0 BDAERO OCC[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000383024573 367587421 /nfs/dbraw/zinc/58/74/21/367587421.db2.gz HCKCQTFFQIPAFX-SECBINFHSA-N 1 0 219.275 1.736 10 0 BDAERO CCC1(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000384344969 367686523 /nfs/dbraw/zinc/68/65/23/367686523.db2.gz CZJDZEUSANMOSN-MNOVXSKESA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[C@H]1CCCO1 ZINC000384728635 367722291 /nfs/dbraw/zinc/72/22/91/367722291.db2.gz ARLYDVVPFGQYPA-UTUOFQBUSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000384728636 367722712 /nfs/dbraw/zinc/72/27/12/367722712.db2.gz ARLYDVVPFGQYPA-WOPDTQHZSA-N 1 0 213.321 1.401 10 0 BDAERO [NH3+]C[C@@H]1CCCN1Cc1ccc(Cl)nn1 ZINC000095072633 181430609 /nfs/dbraw/zinc/43/06/09/181430609.db2.gz RQNKRSSIXHTZOK-VIFPVBQESA-N 1 0 226.711 1.053 10 0 BDAERO Cc1cnc(N2CCC[C@H]([C@@H](C)[NH3+])C2)nc1C ZINC000386471797 367978730 /nfs/dbraw/zinc/97/87/30/367978730.db2.gz PBDNNBNHRIPHRW-PWSUYJOCSA-N 1 0 234.347 1.657 10 0 BDAERO Cc1cnc(NCC2([NH3+])CCC2)nc1C ZINC000386492931 367979743 /nfs/dbraw/zinc/97/97/43/367979743.db2.gz SNUJEHUPHKQKDI-UHFFFAOYSA-N 1 0 206.293 1.387 10 0 BDAERO Cc1cnc(N2CC[C@@H]([NH3+])[C@@H](C)C2)nc1C ZINC000386489169 367979911 /nfs/dbraw/zinc/97/99/11/367979911.db2.gz RWTKDNZZJAHBSW-GXSJLCMTSA-N 1 0 220.320 1.267 10 0 BDAERO C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)[C@H]1OC ZINC000252850032 368163256 /nfs/dbraw/zinc/16/32/56/368163256.db2.gz IPYXTOWPCKOWRQ-UPJWGTAASA-N 1 0 221.300 1.579 10 0 BDAERO C[C@H]1C[NH2+]CCN1[C@H]1CCCSC1 ZINC000252980619 368176333 /nfs/dbraw/zinc/17/63/33/368176333.db2.gz NIFNUBHABJXLEC-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO Cc1ccccc1C(=O)N[n+]1ccccc1 ZINC000039283358 368330589 /nfs/dbraw/zinc/33/05/89/368330589.db2.gz WAAYSEGCMRGHTO-UHFFFAOYSA-O 1 0 213.260 1.666 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)[C@]1(O)c1ccccc1 ZINC000117533554 368343527 /nfs/dbraw/zinc/34/35/27/368343527.db2.gz PPXAJUZJHQALQU-PJXYFTJBSA-N 1 0 205.301 1.750 10 0 BDAERO OC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1O ZINC000566489328 326057435 /nfs/dbraw/zinc/05/74/35/326057435.db2.gz ZUDXGLLBJGGBGN-DJLDLDEBSA-N 1 0 241.253 1.193 10 0 BDAERO Nc1ccc(Cl)cc1NC1=[NH+]CCN1 ZINC000225708110 368402914 /nfs/dbraw/zinc/40/29/14/368402914.db2.gz SJTQBAFIMBEVPZ-UHFFFAOYSA-N 1 0 210.668 1.293 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2nccs2)CC1 ZINC000100209426 181436166 /nfs/dbraw/zinc/43/61/66/181436166.db2.gz HLDPGSXMAKRBJC-DTORHVGOSA-N 1 0 239.344 1.847 10 0 BDAERO C[NH2+][C@H](c1cncnc1)[C@@H]1CCSC1 ZINC000161417296 368518262 /nfs/dbraw/zinc/51/82/62/368518262.db2.gz QUQQWTGEIZRXIB-SCZZXKLOSA-N 1 0 209.318 1.490 10 0 BDAERO CC(C)[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000081060807 368571430 /nfs/dbraw/zinc/57/14/30/368571430.db2.gz CGRWROGBKIUECB-VXGBXAGGSA-N 1 0 226.364 1.784 10 0 BDAERO C[C@@H]1CN[C@]2(CC[NH2+]C[C@H]2C)SC1 ZINC000253215629 368623989 /nfs/dbraw/zinc/62/39/89/368623989.db2.gz COQXISBCUBLWCC-OPRDCNLKSA-N 1 0 200.351 1.285 10 0 BDAERO CC1CC(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000567261110 326152273 /nfs/dbraw/zinc/15/22/73/326152273.db2.gz BEHKAGYTGXOUAI-XIVSLSHWSA-N 1 0 224.348 1.538 10 0 BDAERO CC(C)Oc1cc(N(C)CCC[NH3+])ncn1 ZINC000085483425 368866023 /nfs/dbraw/zinc/86/60/23/368866023.db2.gz IGBYXSQFWKNSCL-UHFFFAOYSA-N 1 0 224.308 1.049 10 0 BDAERO C[C@H]1CN(c2ncnc3c2CCC3)[C@@H](C)C[NH2+]1 ZINC000086470997 368881520 /nfs/dbraw/zinc/88/15/20/368881520.db2.gz NEUXMKQWMJIHHR-UWVGGRQHSA-N 1 0 232.331 1.152 10 0 BDAERO C[C@H]1C[N@H+](C)CC[C@H]1n1cncc1C=O ZINC000253283896 368912548 /nfs/dbraw/zinc/91/25/48/368912548.db2.gz MKSNORZPQATAPY-GXSJLCMTSA-N 1 0 207.277 1.208 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000623766698 369029995 /nfs/dbraw/zinc/02/99/95/369029995.db2.gz KWGLXJSPQIFKJC-OLZOCXBDSA-N 1 0 247.294 1.672 10 0 BDAERO [NH3+]C[C@@]1(CO)C[C@H]1c1ccc(Br)o1 ZINC000070500230 181440893 /nfs/dbraw/zinc/44/08/93/181440893.db2.gz YPPMIQGCLWCOGQ-IMTBSYHQSA-N 1 0 246.104 1.467 10 0 BDAERO [NH3+]C[C@@]1(CO)C[C@@H]1c1c(F)cccc1F ZINC000070500207 181441764 /nfs/dbraw/zinc/44/17/64/181441764.db2.gz JDAFMVSOGNBLOZ-RDDDGLTNSA-N 1 0 213.227 1.390 10 0 BDAERO CN(CC(F)(F)F)[C@H]1CCCC[NH2+]C1 ZINC000054135115 369058106 /nfs/dbraw/zinc/05/81/06/369058106.db2.gz RNFXRNOQLKMXCK-QMMMGPOBSA-N 1 0 210.243 1.623 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cc[nH]n1 ZINC000616693340 369115804 /nfs/dbraw/zinc/11/58/04/369115804.db2.gz XRXWBQZCABOSHB-CQSZACIVSA-N 1 0 242.326 1.316 10 0 BDAERO NC(=O)N1C[C@@H](c2c[nH]cn2)Nc2ccccc21 ZINC000616693465 369115807 /nfs/dbraw/zinc/11/58/07/369115807.db2.gz TXOVYABFJCXQKG-JTQLQIEISA-N 1 0 243.270 1.462 10 0 BDAERO [NH3+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000008028924 181449462 /nfs/dbraw/zinc/44/94/62/181449462.db2.gz GZFSQWVTRGNOJS-ZETCQYMHSA-N 1 0 236.098 1.692 10 0 BDAERO CC(=O)N1C[C@H](c2ncc[nH]2)Nc2ccccc21 ZINC000616690178 369112327 /nfs/dbraw/zinc/11/23/27/369112327.db2.gz DZZZZZNZSVHIGG-LLVKDONJSA-N 1 0 242.282 1.929 10 0 BDAERO [NH3+]C[C@H](O)Cc1cc(Cl)cc(Cl)c1 ZINC000071522154 181450324 /nfs/dbraw/zinc/45/03/24/181450324.db2.gz UOICDYQUFFHUFR-SECBINFHSA-N 1 0 220.099 1.856 10 0 BDAERO [NH3+]Cc1ccc(-n2ccc(C(F)(F)F)n2)nn1 ZINC000051494476 181479866 /nfs/dbraw/zinc/47/98/66/181479866.db2.gz QVNJKBJSYRBHIU-UHFFFAOYSA-N 1 0 243.192 1.140 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000623767250 369375044 /nfs/dbraw/zinc/37/50/44/369375044.db2.gz SNLWLQGHNRCGCF-GJZGRUSLSA-N 1 0 247.338 1.803 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108539106 369397250 /nfs/dbraw/zinc/39/72/50/369397250.db2.gz VSRGWJNVNXDWNV-NEPJUHHUSA-N 1 0 241.379 1.672 10 0 BDAERO OCc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)o1 ZINC000230664400 369453828 /nfs/dbraw/zinc/45/38/28/369453828.db2.gz RISCEIWMRBJBCZ-GWCFXTLKSA-N 1 0 239.315 1.413 10 0 BDAERO [NH3+]C1CCC(C(=O)Nc2ccncc2)CC1 ZINC000082091998 370954841 /nfs/dbraw/zinc/95/48/41/370954841.db2.gz UHRUCDAIRPCMOA-UHFFFAOYSA-N 1 0 219.288 1.538 10 0 BDAERO [NH3+]Cc1ccc(OCCCn2cccn2)cc1 ZINC000037050458 181485438 /nfs/dbraw/zinc/48/54/38/181485438.db2.gz GUXWMZSFQMTLHQ-UHFFFAOYSA-N 1 0 231.299 1.811 10 0 BDAERO [NH3+]Cc1cccc(=O)n1Cc1ccccc1 ZINC000076732872 181488042 /nfs/dbraw/zinc/48/80/42/181488042.db2.gz LDJONYUKTRMKCP-UHFFFAOYSA-N 1 0 214.268 1.355 10 0 BDAERO [NH3+]Cc1ccn(Cc2ccccc2)c(=O)c1 ZINC000076729662 181490973 /nfs/dbraw/zinc/49/09/73/181490973.db2.gz VXKMYEIVYOHVHV-UHFFFAOYSA-N 1 0 214.268 1.355 10 0 BDAERO CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]1 ZINC000621160979 370132578 /nfs/dbraw/zinc/13/25/78/370132578.db2.gz QOBLECGUFDFSSC-YVECIDJPSA-N 1 0 236.359 1.489 10 0 BDAERO CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]1 ZINC000621160977 370132855 /nfs/dbraw/zinc/13/28/55/370132855.db2.gz QOBLECGUFDFSSC-RNJOBUHISA-N 1 0 236.359 1.489 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000076072832 370210213 /nfs/dbraw/zinc/21/02/13/370210213.db2.gz RHQOMYNDMWDLJG-NWDGAFQWSA-N 1 0 239.363 1.426 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[C@@H]1CC1(F)F ZINC000621670722 370420506 /nfs/dbraw/zinc/42/05/06/370420506.db2.gz WGCUVRSIPAOUQX-AEJSXWLSSA-N 1 0 246.301 1.536 10 0 BDAERO OCCc1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000215287900 370418331 /nfs/dbraw/zinc/41/83/31/370418331.db2.gz MFCFDTGTIWLARI-ZDUSSCGKSA-N 1 0 205.301 1.688 10 0 BDAERO [NH3+]Cc1nccnc1OCC1CCCCC1 ZINC000054378756 181503956 /nfs/dbraw/zinc/50/39/56/181503956.db2.gz KRBIJOZUDAPUQN-UHFFFAOYSA-N 1 0 221.304 1.894 10 0 BDAERO C[C@H]1C[NH2+]CC[C@]1(O)C(F)(F)Br ZINC000225666773 370546348 /nfs/dbraw/zinc/54/63/48/370546348.db2.gz SBVMDWRLPCATLZ-NTSWFWBYSA-N 1 0 244.079 1.335 10 0 BDAERO CC(C)(O)C[NH2+]CCOCC1CCCC1 ZINC000313265287 370575408 /nfs/dbraw/zinc/57/54/08/370575408.db2.gz HIIQITGIKUMTOY-UHFFFAOYSA-N 1 0 215.337 1.554 10 0 BDAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000066494826 370584838 /nfs/dbraw/zinc/58/48/38/370584838.db2.gz IWQRMGKXBGYCTB-OLZOCXBDSA-N 1 0 222.332 1.696 10 0 BDAERO CC[C@H]([NH3+])C(=O)[C@@H]1CCc2cccnc21 ZINC000226539911 370624225 /nfs/dbraw/zinc/62/42/25/370624225.db2.gz DQDMQEQXDQLAPZ-ZJUUUORDSA-N 1 0 204.273 1.418 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000389853833 371178209 /nfs/dbraw/zinc/17/82/09/371178209.db2.gz ZJWHCXYBUMTQMD-IRCOFANPSA-N 1 0 228.405 1.810 10 0 BDAERO COC[C@@H](C)[NH2+]CCC(=O)N1CCC[C@@H]1C ZINC000390586101 371216746 /nfs/dbraw/zinc/21/67/46/371216746.db2.gz YFDMWJJXBNHKRT-MNOVXSKESA-N 1 0 228.336 1.012 10 0 BDAERO [NH3+][C@@H]1CCC(=O)N[C@@H]1c1cc(F)ccc1F ZINC000070824460 181572736 /nfs/dbraw/zinc/57/27/36/181572736.db2.gz JJMAPMZTIXKWSL-MWLCHTKSSA-N 1 0 226.226 1.243 10 0 BDAERO [NH3+][C@@H]1CSc2nc3ccccc3n2C1 ZINC000075606479 181598429 /nfs/dbraw/zinc/59/84/29/181598429.db2.gz JGTNJNRYVKWLOE-ZETCQYMHSA-N 1 0 205.286 1.469 10 0 BDAERO [NH3+][C@@H]1CCCc2c1cnn2-c1nccs1 ZINC000082826864 181585724 /nfs/dbraw/zinc/58/57/24/181585724.db2.gz SRVBIXLCQNVVLF-MRVPVSSYSA-N 1 0 220.301 1.665 10 0 BDAERO [NH3+][C@@H]1CCN(CC(=O)c2ccc(F)cc2)C1 ZINC000050242392 181587966 /nfs/dbraw/zinc/58/79/66/181587966.db2.gz PVFHFDXGSMIMKH-LLVKDONJSA-N 1 0 222.263 1.041 10 0 BDAERO [NH3+][C@@H]1CCN(c2ccc(F)cc2Cl)C1=O ZINC000049648320 181590495 /nfs/dbraw/zinc/59/04/95/181590495.db2.gz JCPDCJCMSRDANP-MRVPVSSYSA-N 1 0 228.654 1.543 10 0 BDAERO [NH3+][C@H]1CC[C@H](Nc2nccc(Cl)n2)CC1 ZINC000100267874 181592434 /nfs/dbraw/zinc/59/24/34/181592434.db2.gz MEURMXYDCJAXGD-OCAPTIKFSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@H](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000053818183 181627402 /nfs/dbraw/zinc/62/74/02/181627402.db2.gz CGESYLQCXIXGPE-PWSUYJOCSA-N 1 0 206.289 1.521 10 0 BDAERO [NH3+][C@H]1CCc2ccc(Br)cc2[C@@H]1O ZINC000008699435 181655627 /nfs/dbraw/zinc/65/56/27/181655627.db2.gz PAOFPNNUNGEWLK-UWVGGRQHSA-N 1 0 242.116 1.756 10 0 BDAERO [NH3+][C@H](c1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000019968224 181631876 /nfs/dbraw/zinc/63/18/76/181631876.db2.gz BLTFSDZCQJBIEW-ZDUSSCGKSA-N 1 0 216.284 1.981 10 0 BDAERO [NH3+][C@H]1CC(=O)N([C@@H]2CCCc3ccccc32)C1 ZINC000051633700 181638745 /nfs/dbraw/zinc/63/87/45/181638745.db2.gz ALCKXGPZRPICHA-WCQYABFASA-N 1 0 230.311 1.624 10 0 BDAERO Nc1cc(N)[nH+]c(SCc2cccs2)n1 ZINC000040432522 181689725 /nfs/dbraw/zinc/68/97/25/181689725.db2.gz UJHFRVWRQAMPIJ-UHFFFAOYSA-N 1 0 238.341 1.995 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(F)cc1 ZINC000624235070 371422480 /nfs/dbraw/zinc/42/24/80/371422480.db2.gz CZGNTDKHBIXEJM-TVYUQYBPSA-N 1 0 239.290 1.626 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000624236189 371424054 /nfs/dbraw/zinc/42/40/54/371424054.db2.gz XVNTZFGCYSOOPB-KXNHARMFSA-N 1 0 213.321 1.305 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCOC[C@@H]1O ZINC000624237967 371426182 /nfs/dbraw/zinc/42/61/82/371426182.db2.gz HZIKUTIQNQNUTL-RHYQMDGZSA-N 1 0 227.348 1.551 10 0 BDAERO CC(C)C1CC([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000624237963 371426241 /nfs/dbraw/zinc/42/62/41/371426241.db2.gz HZEZVCBOZNZYEZ-MMVSWEMESA-N 1 0 213.321 1.160 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cs1 ZINC000624239467 371428915 /nfs/dbraw/zinc/42/89/15/371428915.db2.gz LVMZEKVYNHTLJS-DLOVCJGASA-N 1 0 241.356 1.857 10 0 BDAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000624239074 371429162 /nfs/dbraw/zinc/42/91/62/371429162.db2.gz CMRYVXPEYXLUMU-KSSYENDESA-N 1 0 227.348 1.551 10 0 BDAERO CSCC[C@H](C)N(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000156787915 371500381 /nfs/dbraw/zinc/50/03/81/371500381.db2.gz VXTYVEBLJUBWNT-QWRGUYRKSA-N 1 0 246.420 1.960 10 0 BDAERO CCCN1CC[C@@H]([NH3+])[C@@H]1c1cncs1 ZINC000161712605 371557157 /nfs/dbraw/zinc/55/71/57/371557157.db2.gz HKTGWEUICAPQJI-PSASIEDQSA-N 1 0 211.334 1.627 10 0 BDAERO Nc1cnccc1SC[C@@H]1CCCC[NH2+]1 ZINC000043495523 181771016 /nfs/dbraw/zinc/77/10/16/181771016.db2.gz BJIUQACQHBKVJY-VIFPVBQESA-N 1 0 223.345 1.898 10 0 BDAERO Cc1ncsc1[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000225536057 371553094 /nfs/dbraw/zinc/55/30/94/371553094.db2.gz UKGMXTIKVQMHKZ-BDAKNGLRSA-N 1 0 212.318 1.878 10 0 BDAERO NNc1nc(OCC(F)F)c(Cl)c[nH+]1 ZINC000131132507 371562423 /nfs/dbraw/zinc/56/24/23/371562423.db2.gz CSMXLXXXMGAULY-UHFFFAOYSA-N 1 0 224.598 1.060 10 0 BDAERO O[C@@H]([C@@H]1CCC[NH2+]C1)C(F)(F)Br ZINC000225657904 371564298 /nfs/dbraw/zinc/56/42/98/371564298.db2.gz SGMXJPNXFMSAQB-RITPCOANSA-N 1 0 244.079 1.335 10 0 BDAERO O[C@@H]([C@@H]1CCC[NH2+]1)C(F)(F)Br ZINC000225669140 371566072 /nfs/dbraw/zinc/56/60/72/371566072.db2.gz LMMKTTPGSXKHMV-WHFBIAKZSA-N 1 0 230.052 1.087 10 0 BDAERO [NH3+]C1(Cc2cncc(Br)c2)CC1 ZINC000161826093 371568886 /nfs/dbraw/zinc/56/88/86/371568886.db2.gz IJGAZPMXEPHBJT-UHFFFAOYSA-N 1 0 227.105 1.878 10 0 BDAERO CN(C)C(=O)O[C@H]1CCCCC[C@H]1[NH3+] ZINC000131752939 371666577 /nfs/dbraw/zinc/66/65/77/371666577.db2.gz VTCDIFWFCFEEFM-BDAKNGLRSA-N 1 0 200.282 1.345 10 0 BDAERO CC[C@@H]1C[NH+]=C(NCc2ccon2)S1 ZINC000230009927 371632231 /nfs/dbraw/zinc/63/22/31/371632231.db2.gz LTBNCAKGXSKDAX-MRVPVSSYSA-N 1 0 211.290 1.646 10 0 BDAERO CC(C)[C@H]1C[NH+]=C(N[C@H]2CCOC2)S1 ZINC000230009818 371632312 /nfs/dbraw/zinc/63/23/12/371632312.db2.gz VXFFQJWKFALWLM-DTWKUNHWSA-N 1 0 214.334 1.492 10 0 BDAERO [NH3+][C@H](Cc1ccco1)[C@@H]1CSCCS1 ZINC000131650512 371640823 /nfs/dbraw/zinc/64/08/23/371640823.db2.gz JVQUKODNYVOIRU-ZJUUUORDSA-N 1 0 229.370 1.998 10 0 BDAERO CC(C)(C)OC(=O)N1CCC(C)(C(N)=[NH2+])CC1 ZINC000226339531 371648855 /nfs/dbraw/zinc/64/88/55/371648855.db2.gz INHUSYSAJGHISY-UHFFFAOYSA-N 1 0 241.335 1.960 10 0 BDAERO Cn1nccc1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226334151 371648969 /nfs/dbraw/zinc/64/89/69/371648969.db2.gz FMVQKEUVBVAFGX-RKDXNWHRSA-N 1 0 207.277 1.120 10 0 BDAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)c1cncc(F)c1 ZINC000226689271 371724103 /nfs/dbraw/zinc/72/41/03/371724103.db2.gz CHDJVGJRWAAQGI-XCBNKYQSSA-N 1 0 208.236 1.401 10 0 BDAERO CC[C@@H]1C[C@@]2(CCO1)[NH2+][C@@H](C)CS2 ZINC000226584098 371701861 /nfs/dbraw/zinc/70/18/61/371701861.db2.gz XXCCEHABHGZGFQ-AEJSXWLSSA-N 1 0 201.335 1.997 10 0 BDAERO NC(=S)CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 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219.206 1.576 10 0 BDAERO OCC[NH+]1CCC(c2nccs2)CC1 ZINC000336553090 183071829 /nfs/dbraw/zinc/07/18/29/183071829.db2.gz LRDBTMMZUQFKNJ-UHFFFAOYSA-N 1 0 212.318 1.315 10 0 BDAERO OCC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037250725 183079714 /nfs/dbraw/zinc/07/97/14/183079714.db2.gz XLAGWCSQYYZSNL-LLVKDONJSA-N 1 0 209.314 1.556 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307977598 183095337 /nfs/dbraw/zinc/09/53/37/183095337.db2.gz JYSQGADIVDDPKU-DTWKUNHWSA-N 1 0 241.253 1.004 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367615166 183116221 /nfs/dbraw/zinc/11/62/21/183116221.db2.gz KFWLACBBNQDACY-WCFLWFBJSA-N 1 0 249.358 1.928 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000152315999 183116436 /nfs/dbraw/zinc/11/64/36/183116436.db2.gz RYMGGCJVVRYMAW-JQWIXIFHSA-N 1 0 209.289 1.920 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000164261750 183116557 /nfs/dbraw/zinc/11/65/57/183116557.db2.gz PQYNUPZXOCHBNK-STQMWFEESA-N 1 0 220.316 1.722 10 0 BDAERO OC[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000085576539 183119798 /nfs/dbraw/zinc/11/97/98/183119798.db2.gz RGADUQARIRPOHW-STQMWFEESA-N 1 0 217.312 1.783 10 0 BDAERO OCCn1c2ccccc2nc1C[NH2+]CC1CC1 ZINC000037900751 183103442 /nfs/dbraw/zinc/10/34/42/183103442.db2.gz MKUIVKVHELLBLM-UHFFFAOYSA-N 1 0 245.326 1.528 10 0 BDAERO OC[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000063000718 183109148 /nfs/dbraw/zinc/10/91/48/183109148.db2.gz LCFPPCURDWPZFH-UKRRQHHQSA-N 1 0 246.354 1.546 10 0 BDAERO OC[C@@]1([NH2+]C[C@@H]2CCCO2)CCCSC1 ZINC000061590860 183134368 /nfs/dbraw/zinc/13/43/68/183134368.db2.gz HUSCCDFWFYNENA-QWRGUYRKSA-N 1 0 231.361 1.013 10 0 BDAERO OC[C@@]1(O)CCC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000313645156 183136292 /nfs/dbraw/zinc/13/62/92/183136292.db2.gz VFBMNIZMTRAZRD-WDEREUQCSA-N 1 0 249.301 1.241 10 0 BDAERO OC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCOC1 ZINC000063218343 183138843 /nfs/dbraw/zinc/13/88/43/183138843.db2.gz LYQZDVOHHGLSPY-KBPBESRZSA-N 1 0 235.327 1.216 10 0 BDAERO OC[C@@H]1[NH2+]CCc2c(Cl)cc(F)cc21 ZINC000075688006 183130857 /nfs/dbraw/zinc/13/08/57/183130857.db2.gz YEDWJHQAODBICR-JTQLQIEISA-N 1 0 215.655 1.658 10 0 BDAERO OC[C@H]1[NH2+]CCc2ccc(Cl)c(F)c21 ZINC000075661361 183156279 /nfs/dbraw/zinc/15/62/79/183156279.db2.gz JFGJHYIDKPVDDP-MRVPVSSYSA-N 1 0 215.655 1.658 10 0 BDAERO OC[C@H]1[NH2+]CCc2c(Cl)cc(F)cc21 ZINC000075688007 183156426 /nfs/dbraw/zinc/15/64/26/183156426.db2.gz YEDWJHQAODBICR-SNVBAGLBSA-N 1 0 215.655 1.658 10 0 BDAERO OC[C@]1([NH2+]C[C@H]2CCCO2)CCCSC1 ZINC000061590861 183159126 /nfs/dbraw/zinc/15/91/26/183159126.db2.gz HUSCCDFWFYNENA-GHMZBOCLSA-N 1 0 231.361 1.013 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)c1ccc2c(c1)OCO2 ZINC000032013824 183177695 /nfs/dbraw/zinc/17/76/95/183177695.db2.gz RAMQDKFQLRQRCC-JTQLQIEISA-N 1 0 221.256 1.201 10 0 BDAERO O[C@@H](c1cc(F)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000036158977 183184121 /nfs/dbraw/zinc/18/41/21/183184121.db2.gz HYIYCBIMDGPNAK-QWRGUYRKSA-N 1 0 213.227 1.750 10 0 BDAERO O[C@@H](CC[NH2+]C[C@H]1CCCO1)c1cccs1 ZINC000049830700 183174314 /nfs/dbraw/zinc/17/43/14/183174314.db2.gz HMNKSOPRQWDBEZ-MNOVXSKESA-N 1 0 241.356 1.940 10 0 BDAERO O[C@@H]1CC[NH2+][C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096964633 183201036 /nfs/dbraw/zinc/20/10/36/183201036.db2.gz DBVMOCKQCLLHBT-CABCVRRESA-N 1 0 246.354 1.375 10 0 BDAERO O[C@H]1CC[C@H]([NH2+]Cc2ccnc(Cl)n2)CC1 ZINC000100280022 183201993 /nfs/dbraw/zinc/20/19/93/183201993.db2.gz CMGNLDZJKDZSAF-WAAGHKOSSA-N 1 0 241.722 1.523 10 0 BDAERO O[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000100279998 183202438 /nfs/dbraw/zinc/20/24/38/183202438.db2.gz KRZWWDJPIMMQLB-KLPPZKSPSA-N 1 0 206.289 1.475 10 0 BDAERO CCC[N@H+](C)CC(=O)Nc1c(C)cccc1N ZINC000037273343 169075815 /nfs/dbraw/zinc/07/58/15/169075815.db2.gz FYMXZWFRLWEKBA-UHFFFAOYSA-N 1 0 235.331 1.858 10 0 BDAERO O[C@@H]1CCCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000037894791 183188373 /nfs/dbraw/zinc/18/83/73/183188373.db2.gz JGYQTTVMRWPTOV-ZIAGYGMSSA-N 1 0 234.343 1.907 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000216425197 183188806 /nfs/dbraw/zinc/18/88/06/183188806.db2.gz FLBKYHYUECZKAN-MELADBBJSA-N 1 0 247.338 1.883 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000052014610 183189777 /nfs/dbraw/zinc/18/97/77/183189777.db2.gz KPSZZVNZUJEOEY-NWDGAFQWSA-N 1 0 227.348 1.575 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000037718335 183190609 /nfs/dbraw/zinc/19/06/09/183190609.db2.gz GVPWFIIGVSWFIH-CHWSQXEVSA-N 1 0 220.316 1.517 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000037490026 183195430 /nfs/dbraw/zinc/19/54/30/183195430.db2.gz YKIAQVQRDCNJGG-NWDGAFQWSA-N 1 0 206.289 1.127 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000002387052 183195881 /nfs/dbraw/zinc/19/58/81/183195881.db2.gz XEFKGMPALYXZAW-CHWSQXEVSA-N 1 0 205.301 1.937 10 0 BDAERO O[C@H](C[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000019784960 183220852 /nfs/dbraw/zinc/22/08/52/183220852.db2.gz KSEBQMQJHJRYFI-GFCCVEGCSA-N 1 0 249.310 1.935 10 0 BDAERO O[C@H](C[NH2+]CCn1cccn1)c1ccccc1F ZINC000042540682 183224403 /nfs/dbraw/zinc/22/44/03/183224403.db2.gz AJVSFFWDMQRHEW-CYBMUJFWSA-N 1 0 249.289 1.345 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(n2ccnc2)CC1 ZINC000121203978 183231601 /nfs/dbraw/zinc/23/16/01/183231601.db2.gz JOGYKNDUOBABNJ-KBPBESRZSA-N 1 0 249.358 1.824 10 0 BDAERO O[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](C2CC2)C1 ZINC000061988143 183215816 /nfs/dbraw/zinc/21/58/16/183215816.db2.gz HXAPIXRQBGNSST-CQSZACIVSA-N 1 0 235.302 1.967 10 0 BDAERO CCCN(CCC)c1cc(C(N)=[NH2+])ccn1 ZINC000019475616 169152471 /nfs/dbraw/zinc/15/24/71/169152471.db2.gz CTZGDCUEIGDABJ-UHFFFAOYSA-N 1 0 220.320 1.992 10 0 BDAERO Oc1ccc2c(c1)CN1CC[C@@H](O)C1=[NH+]2 ZINC000004098855 183280200 /nfs/dbraw/zinc/28/02/00/183280200.db2.gz WEFMOGRHGUPGMA-SNVBAGLBSA-N 1 0 204.229 1.002 10 0 BDAERO CCCN(C[C@@H](C)C(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC000104337493 169171723 /nfs/dbraw/zinc/17/17/23/169171723.db2.gz KTAFGPHUDRZQQT-VXGBXAGGSA-N 1 0 242.363 1.260 10 0 BDAERO O=c1ccnc(SCC[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000051920403 183305854 /nfs/dbraw/zinc/30/58/54/183305854.db2.gz WZTTXUNPKOOROX-VIFPVBQESA-N 1 0 239.344 1.664 10 0 BDAERO CCCN(CCC[NH3+])CC(=O)N[C@@H](C)C(C)C ZINC000049307598 169156182 /nfs/dbraw/zinc/15/61/82/169156182.db2.gz HXHMBPDJHUAGMQ-LBPRGKRZSA-N 1 0 243.395 1.208 10 0 BDAERO Oc1cccc2c1CCC1(CC[NH2+]CC1)O2 ZINC000036141562 183293866 /nfs/dbraw/zinc/29/38/66/183293866.db2.gz CABJQXZPCFHITC-UHFFFAOYSA-N 1 0 219.284 1.839 10 0 BDAERO Oc1cccc2c1CC[C@H]2[NH2+]CCn1cncn1 ZINC000294256439 183295354 /nfs/dbraw/zinc/29/53/54/183295354.db2.gz QMGBTOWWEGOIDY-GFCCVEGCSA-N 1 0 244.298 1.261 10 0 BDAERO Oc1cccc2c1CC[C@]1(CC[NH2+]C1)O2 ZINC000036142078 183296659 /nfs/dbraw/zinc/29/66/59/183296659.db2.gz OXYBEYBNGDBIIK-GFCCVEGCSA-N 1 0 205.257 1.449 10 0 BDAERO CCCN(CCO)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000042966969 169167108 /nfs/dbraw/zinc/16/71/08/169167108.db2.gz JDHMNELJFIZSPZ-AWEZNQCLSA-N 1 0 236.359 1.699 10 0 BDAERO CCC[N@H+](CCn1cc(N)ccc1=O)CC1CC1 ZINC000036198152 169169959 /nfs/dbraw/zinc/16/99/59/169169959.db2.gz XLIDPNXHTYNEHY-UHFFFAOYSA-N 1 0 249.358 1.553 10 0 BDAERO CCC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)[O-] ZINC000038022110 169170125 /nfs/dbraw/zinc/17/01/25/169170125.db2.gz GHYOSZFWLOZVQR-LBPRGKRZSA-N 1 0 242.363 1.657 10 0 BDAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H](C)[C@@H](C)CC)C1=O ZINC000103319717 169184674 /nfs/dbraw/zinc/18/46/74/169184674.db2.gz LIOYRYUJUKGUPW-GARJFASQSA-N 1 0 240.347 1.548 10 0 BDAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H](CC)C(C)C)C1=O ZINC000103326068 169184825 /nfs/dbraw/zinc/18/48/25/169184825.db2.gz BRPCQAKMSFYKLB-WDEREUQCSA-N 1 0 240.347 1.548 10 0 BDAERO c1c([C@@H]2CC[NH2+]C2)nc2n1CCCS2 ZINC000082374805 183322034 /nfs/dbraw/zinc/32/20/34/183322034.db2.gz XJSNLPYGMBAQOA-MRVPVSSYSA-N 1 0 209.318 1.456 10 0 BDAERO CCC[NH+]1CCN(C[C@H]2CCC[C@H]2[NH2+]C)CC1 ZINC000053860725 169203916 /nfs/dbraw/zinc/20/39/16/169203916.db2.gz IZPDYOCLQMCIQE-ZIAGYGMSSA-N 1 0 239.407 1.402 10 0 BDAERO CCCN(Cc1cccc(OC)c1)C(=O)C[NH3+] ZINC000032090028 169178053 /nfs/dbraw/zinc/17/80/53/169178053.db2.gz PNHNNGUSRIWGHR-UHFFFAOYSA-N 1 0 236.315 1.393 10 0 BDAERO CCCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309443048 169227815 /nfs/dbraw/zinc/22/78/15/169227815.db2.gz IZWJVMBEXDUUEB-GHMZBOCLSA-N 1 0 230.327 1.631 10 0 BDAERO CCC[N@@H+]1CC[C@H](N2CCOCC2)[C@H](C)C1 ZINC000073654035 169209005 /nfs/dbraw/zinc/20/90/05/169209005.db2.gz LQVMPVBVAUSMQA-OLZOCXBDSA-N 1 0 226.364 1.439 10 0 BDAERO c1cc(NCC[NH+]2CCCCCC2)ncn1 ZINC000040863385 183356967 /nfs/dbraw/zinc/35/69/67/183356967.db2.gz QPQPJQRFXCACRD-UHFFFAOYSA-N 1 0 220.320 1.765 10 0 BDAERO c1cc(NC2CC[NH2+]CC2)cc(-c2nn[nH]n2)c1 ZINC000038041272 183357671 /nfs/dbraw/zinc/35/76/71/183357671.db2.gz VUDAIZGOPGYZPD-UHFFFAOYSA-N 1 0 244.302 1.031 10 0 BDAERO CCCNC(=O)CN(C)Cc1ccccc1C[NH3+] ZINC000037757668 169219814 /nfs/dbraw/zinc/21/98/14/169219814.db2.gz RJACFSUUOMGAQV-UHFFFAOYSA-N 1 0 249.358 1.103 10 0 BDAERO CCCNC(=O)CN(C)c1ccccc1C[NH2+]C ZINC000042519089 169219867 /nfs/dbraw/zinc/21/98/67/169219867.db2.gz DQKUYBPKBZXQIB-UHFFFAOYSA-N 1 0 249.358 1.368 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1cc(F)ccc1OC ZINC000049820792 169262874 /nfs/dbraw/zinc/26/28/74/169262874.db2.gz CCUHJIVMKIGFRG-LLVKDONJSA-N 1 0 227.279 1.867 10 0 BDAERO c1cc2c(c(N3CCCC3)c1)C[NH2+]CC2 ZINC000082792841 183365486 /nfs/dbraw/zinc/36/54/86/183365486.db2.gz OXZBZTSLNTYLAW-UHFFFAOYSA-N 1 0 202.301 1.933 10 0 BDAERO CCC[NH2+]CC1(O)Cc2ccccc2C1 ZINC000055028456 169257653 /nfs/dbraw/zinc/25/76/53/169257653.db2.gz IPBIUTMTOYTYPN-UHFFFAOYSA-N 1 0 205.301 1.516 10 0 BDAERO c1cc(CCC2=[NH+]CCN2)cc2c1OCO2 ZINC000071520465 183366961 /nfs/dbraw/zinc/36/69/61/183366961.db2.gz DVLMUIORAMSEIA-UHFFFAOYSA-N 1 0 218.256 1.350 10 0 BDAERO c1cc(C[NH2+]C[C@@H]2CCOC2)cc2c1OCO2 ZINC000020124442 183368411 /nfs/dbraw/zinc/36/84/11/183368411.db2.gz UYPBYWCOVRIDJD-NSHDSACASA-N 1 0 235.283 1.541 10 0 BDAERO CCC[NH2+]CCOc1cc(C)ccc1C(N)=O ZINC000051869534 169260120 /nfs/dbraw/zinc/26/01/20/169260120.db2.gz LDKAMUNITYIETF-UHFFFAOYSA-N 1 0 236.315 1.472 10 0 BDAERO c1cc2c(cc1C[C@H]1CC[NH2+]C1)OCCCO2 ZINC000077366355 183369036 /nfs/dbraw/zinc/36/90/36/183369036.db2.gz HMPCIUPIXXEZKU-GFCCVEGCSA-N 1 0 233.311 2.000 10 0 BDAERO CCC[NH2+]CCNc1cc(C)ccc1C(N)=O ZINC000054267556 169260303 /nfs/dbraw/zinc/26/03/03/169260303.db2.gz VWHNJEJAHCAMKL-UHFFFAOYSA-N 1 0 235.331 1.505 10 0 BDAERO c1cc(OC[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000019843682 183370532 /nfs/dbraw/zinc/37/05/32/183370532.db2.gz OQLZTHULURQAQC-JTQLQIEISA-N 1 0 235.283 1.794 10 0 BDAERO CCCNC(=O)N(CC)C1CC[NH2+]CC1 ZINC000037469463 169234252 /nfs/dbraw/zinc/23/42/52/169234252.db2.gz JWQIKWYGRFIPIP-UHFFFAOYSA-N 1 0 213.325 1.180 10 0 BDAERO CCCNC(=O)[C@@H](C)N1Cc2ccccc2C1=[NH2+] ZINC000049217112 169242546 /nfs/dbraw/zinc/24/25/46/169242546.db2.gz XMZBDNLNORNXNT-SNVBAGLBSA-N 1 0 245.326 1.742 10 0 BDAERO c1nnc(C[C@@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000054526696 183385894 /nfs/dbraw/zinc/38/58/94/183385894.db2.gz OIHJSOIMMIBVJH-LBPRGKRZSA-N 1 0 242.326 1.809 10 0 BDAERO CCCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019502905 169249526 /nfs/dbraw/zinc/24/95/26/169249526.db2.gz UGNAZEPMWMMXCD-GARJFASQSA-N 1 0 210.321 1.433 10 0 BDAERO CCC[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000055028319 169264488 /nfs/dbraw/zinc/26/44/88/169264488.db2.gz HHNZVDSMBVJKJR-CYBMUJFWSA-N 1 0 205.301 1.820 10 0 BDAERO CCC[NH2+]C[C@H]1CCN(Cc2nc(C)no2)C1 ZINC000053034071 169264995 /nfs/dbraw/zinc/26/49/95/169264995.db2.gz BZRGKHUBIUZMAK-LLVKDONJSA-N 1 0 238.335 1.200 10 0 BDAERO c1ccc(CC[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019946272 183395492 /nfs/dbraw/zinc/39/54/92/183395492.db2.gz RYKDADOQKDFMEC-HNNXBMFYSA-N 1 0 230.355 1.913 10 0 BDAERO CCC[NH2+]Cc1cnn(-c2ncccn2)c1C ZINC000042355826 169268940 /nfs/dbraw/zinc/26/89/40/169268940.db2.gz BNJYHNUBQVHSLZ-UHFFFAOYSA-N 1 0 231.303 1.470 10 0 BDAERO c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CNCCO2)cc1 ZINC000096895850 183399289 /nfs/dbraw/zinc/39/92/89/183399289.db2.gz PSWSKJYQNGHGOU-GJZGRUSLSA-N 1 0 246.354 1.639 10 0 BDAERO c1ccc(CN2CCOC[C@]23CC[NH2+]C3)cc1 ZINC000082344140 183401888 /nfs/dbraw/zinc/40/18/88/183401888.db2.gz OTBBSLWULTXETB-CQSZACIVSA-N 1 0 232.327 1.251 10 0 BDAERO CCC[NH2+][C@@H]1CCN(Cc2ccc(C)nc2)C1=O ZINC000062053643 169282281 /nfs/dbraw/zinc/28/22/81/169282281.db2.gz MPZSPQKCBVSMOF-CYBMUJFWSA-N 1 0 247.342 1.491 10 0 BDAERO CCC[NH2+][C@@H]1CCOC[C@@H]1OCCOCCC ZINC000104248651 169282892 /nfs/dbraw/zinc/28/28/92/169282892.db2.gz MLKNEDHLUDZLCE-OLZOCXBDSA-N 1 0 245.363 1.587 10 0 BDAERO CCCOc1c(CC[NH3+])cccc1OC ZINC000011805746 169312653 /nfs/dbraw/zinc/31/26/53/169312653.db2.gz VRXJEELFQIXTSM-UHFFFAOYSA-N 1 0 209.289 1.985 10 0 BDAERO CCC[NH2+][C@H]1CCN(c2cccnc2)C1=O ZINC000049647142 169292028 /nfs/dbraw/zinc/29/20/28/169292028.db2.gz GXEJKVHHVFSWGQ-NSHDSACASA-N 1 0 219.288 1.187 10 0 BDAERO c1ccc2c(c1)ccnc2CNC1=[NH+]CCCN1 ZINC000195522878 183437934 /nfs/dbraw/zinc/43/79/34/183437934.db2.gz PERPALOWYZKIBE-UHFFFAOYSA-N 1 0 240.310 1.674 10 0 BDAERO CCCOc1ccccc1OC[C@@H](O)C[NH2+]C ZINC000019864862 169327299 /nfs/dbraw/zinc/32/72/99/169327299.db2.gz WEDPGYORVNJQNI-NSHDSACASA-N 1 0 239.315 1.435 10 0 BDAERO CCCS(=O)(=O)C[C@@H]([NH3+])c1ccc(C)cc1 ZINC000075417055 169329605 /nfs/dbraw/zinc/32/96/05/169329605.db2.gz KBRVTZUWDFKGRT-GFCCVEGCSA-N 1 0 241.356 1.820 10 0 BDAERO CCCS(=O)(=O)Nc1ccc(C[NH3+])cc1 ZINC000020224355 169333938 /nfs/dbraw/zinc/33/39/38/169333938.db2.gz JOECSINEEMOPPH-UHFFFAOYSA-N 1 0 228.317 1.297 10 0 BDAERO CCCS(=O)(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000075418241 169334321 /nfs/dbraw/zinc/33/43/21/169334321.db2.gz FIIOLIQOQRWFII-JQWIXIFHSA-N 1 0 241.356 1.900 10 0 BDAERO CCC[C@@H](C)C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000037470125 169346987 /nfs/dbraw/zinc/34/69/87/169346987.db2.gz UGWSOZZEKNKTTF-GHMZBOCLSA-N 1 0 212.337 1.633 10 0 BDAERO c1cnc2[nH]c([C@@H]3CCCC[NH2+]3)nc2c1 ZINC000044264207 183489021 /nfs/dbraw/zinc/48/90/21/183489021.db2.gz SWFHFWTZENWJBW-QMMMGPOBSA-N 1 0 202.261 1.773 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000133810170 169387659 /nfs/dbraw/zinc/38/76/59/169387659.db2.gz KUJQIKPWLHEZBL-TUAOUCFPSA-N 1 0 224.348 1.905 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819577 169387804 /nfs/dbraw/zinc/38/78/04/169387804.db2.gz OGZUWIIZLVYQLN-ZYHUDNBSSA-N 1 0 235.331 1.806 10 0 BDAERO CCC[C@@H](CC)NC(=O)[C@H]1CC12C[NH2+]C2 ZINC000309829098 169377725 /nfs/dbraw/zinc/37/77/25/169377725.db2.gz JFCNYIBSVHQBNA-NXEZZACHSA-N 1 0 210.321 1.291 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC=CCC1 ZINC000045647304 169389625 /nfs/dbraw/zinc/38/96/25/169389625.db2.gz QMARLTNFSWKQMY-WDEREUQCSA-N 1 0 210.321 1.586 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000036872893 169390929 /nfs/dbraw/zinc/39/09/29/169390929.db2.gz GRXIWBAKFQTJIP-HBNTYKKESA-N 1 0 212.337 1.809 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccccc1[C@@H](C)O ZINC000049547425 169392014 /nfs/dbraw/zinc/39/20/14/169392014.db2.gz QAHFBIIDTXEZDW-MWLCHTKSSA-N 1 0 236.315 1.806 10 0 BDAERO CCC[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000019969679 169393469 /nfs/dbraw/zinc/39/34/69/169393469.db2.gz YHANMHUEOFJIQZ-SNVBAGLBSA-N 1 0 204.273 1.981 10 0 BDAERO CCC[C@@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392426 169393998 /nfs/dbraw/zinc/39/39/98/169393998.db2.gz HHCOTYJMXABMMB-SNVBAGLBSA-N 1 0 233.315 1.677 10 0 BDAERO C[C@@H]1C[N@H+](CC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000180236248 134328531 /nfs/dbraw/zinc/32/85/31/134328531.db2.gz WDCYBXLMCCXPKX-OLZOCXBDSA-N 1 0 240.391 1.685 10 0 BDAERO c1csc([C@H]2C[C@@H]2CN2CC[NH2+]CC2)c1 ZINC000068592034 183524472 /nfs/dbraw/zinc/52/44/72/183524472.db2.gz SHGZQVYPGSDCLG-MNOVXSKESA-N 1 0 222.357 1.757 10 0 BDAERO CCC[C@@]1(C(=O)N[C@@H]2CCCOC2)CC[NH2+]C1 ZINC000103961361 169460338 /nfs/dbraw/zinc/46/03/38/169460338.db2.gz ZXKMDGAHTHKKCQ-DGCLKSJQSA-N 1 0 240.347 1.061 10 0 BDAERO CCC[C@@]1(C(=O)Nc2ncc[nH]2)CCC[NH2+]C1 ZINC000104123577 169460461 /nfs/dbraw/zinc/46/04/61/169460461.db2.gz AADHYAVRUCHSOQ-GFCCVEGCSA-N 1 0 236.319 1.518 10 0 BDAERO C[C@H](CO)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224765763 134350134 /nfs/dbraw/zinc/35/01/34/134350134.db2.gz MYHVGWIIAKOSKA-RVMXOQNASA-N 1 0 241.375 1.798 10 0 BDAERO CCC[C@]1(c2nnc3ccc(C)nn32)CC[NH2+]C1 ZINC000062915544 169560057 /nfs/dbraw/zinc/56/00/57/169560057.db2.gz AMDGLQBSXUGDAP-ZDUSSCGKSA-N 1 0 245.330 1.464 10 0 BDAERO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[NH2+]C2 ZINC000168584233 166673537 /nfs/dbraw/zinc/67/35/37/166673537.db2.gz ZOMNYTOUFQZSDZ-JOYOIKCWSA-N 1 0 211.305 1.718 10 0 BDAERO CCCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038048782 169623540 /nfs/dbraw/zinc/62/35/40/169623540.db2.gz JYUBBGLUGXHBRG-VXGBXAGGSA-N 1 0 249.358 1.898 10 0 BDAERO CCN(C(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000054305947 169638579 /nfs/dbraw/zinc/63/85/79/169638579.db2.gz HWINMZNQAZJFBF-SNVBAGLBSA-N 1 0 210.321 1.387 10 0 BDAERO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CCCO ZINC000087358180 383828212 /nfs/dbraw/zinc/82/82/12/383828212.db2.gz DIGWGMGIZRQQTK-WDEREUQCSA-N 1 0 217.353 1.941 10 0 BDAERO COC[C@H]1CN(C(=O)CC[NH3+])CC12CCCC2 ZINC000409435676 383836653 /nfs/dbraw/zinc/83/66/53/383836653.db2.gz WDEGCKYRIWCNLY-LLVKDONJSA-N 1 0 240.347 1.000 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@H]1COCC1(C)C ZINC000313072633 383837285 /nfs/dbraw/zinc/83/72/85/383837285.db2.gz XXKUGJHLFPGGCQ-RYUDHWBXSA-N 1 0 245.363 1.179 10 0 BDAERO CCOC[C@@H]1CN(C(N)=[NH2+])CC12CCC2 ZINC000409435269 383837383 /nfs/dbraw/zinc/83/73/83/383837383.db2.gz UATTYPYBSRTYRF-VIFPVBQESA-N 1 0 211.309 1.018 10 0 BDAERO CC1(CF)CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000409434830 383838379 /nfs/dbraw/zinc/83/83/79/383838379.db2.gz QUEZUOGANSCFRL-LLVKDONJSA-N 1 0 242.338 1.584 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1=CCCC1 ZINC000401053538 383843802 /nfs/dbraw/zinc/84/38/02/383843802.db2.gz BYIFCRYJEJWGMB-MWLCHTKSSA-N 1 0 208.305 1.353 10 0 BDAERO CC[NH+](CC)CCN1CCOCC12CCC2 ZINC000119847616 383906847 /nfs/dbraw/zinc/90/68/47/383906847.db2.gz JARYLIARNADZCK-UHFFFAOYSA-N 1 0 226.364 1.583 10 0 BDAERO C[C@H](CCO)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308661067 383891606 /nfs/dbraw/zinc/89/16/06/383891606.db2.gz PXNNLMFDEGBKJM-MXWKQRLJSA-N 1 0 203.301 1.875 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CC2=CCCC2)C1 ZINC000401140690 383985519 /nfs/dbraw/zinc/98/55/19/383985519.db2.gz GPTHJTGKCVJPBL-RYUDHWBXSA-N 1 0 211.305 1.178 10 0 BDAERO CC[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732279 383989008 /nfs/dbraw/zinc/98/90/08/383989008.db2.gz GOOZUSNDYDIEAB-NWDGAFQWSA-N 1 0 234.347 1.834 10 0 BDAERO CC[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732278 383990154 /nfs/dbraw/zinc/99/01/54/383990154.db2.gz GOOZUSNDYDIEAB-VXGBXAGGSA-N 1 0 234.347 1.834 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ncc[nH]1 ZINC000278487371 384002602 /nfs/dbraw/zinc/00/26/02/384002602.db2.gz BFAVDLMYURDNHP-DCAQKATOSA-N 1 0 223.320 1.611 10 0 BDAERO COC[C@]1(C(=O)N(C)c2ccccc2)CCC[NH2+]1 ZINC000643614242 383994019 /nfs/dbraw/zinc/99/40/19/383994019.db2.gz OVEDPJFBRWZZQA-AWEZNQCLSA-N 1 0 248.326 1.418 10 0 BDAERO C/C=C1/[C@@H]2C=C(C)C[C@@]1([NH3+])c1ccc(=O)[nH]c1C2 ZINC000003108047 383999960 /nfs/dbraw/zinc/99/99/60/383999960.db2.gz ZRJBHWIHUMBLCN-KAHDTVAKSA-N 1 0 242.322 1.998 10 0 BDAERO CCc1cc(=O)[nH]c(C2([NH3+])CCCCC2)n1 ZINC000068577028 383999957 /nfs/dbraw/zinc/99/99/57/383999957.db2.gz DTBQBTIGRCWDDY-UHFFFAOYSA-N 1 0 221.304 1.450 10 0 BDAERO Cc1cc(C[N@@H+]2CCC[C@H]2CCCO)no1 ZINC000052762772 134385793 /nfs/dbraw/zinc/38/57/93/134385793.db2.gz HAWCXVZIOQDHMZ-LBPRGKRZSA-N 1 0 224.304 1.720 10 0 BDAERO CN(C1CC[NH2+]CC1)[C@@H]1CCCCC1=O ZINC000050158717 383944764 /nfs/dbraw/zinc/94/47/64/383944764.db2.gz NGSHPLQJVFYZGJ-LLVKDONJSA-N 1 0 210.321 1.182 10 0 BDAERO C[C@@]([NH3+])(CCO)c1ccc2[nH]ccc2n1 ZINC000089221271 383949449 /nfs/dbraw/zinc/94/94/49/383949449.db2.gz SJIUQGONHBGYJV-LLVKDONJSA-N 1 0 205.261 1.119 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cnn2ccccc12 ZINC000070944319 383972206 /nfs/dbraw/zinc/97/22/06/383972206.db2.gz BXOXPYCPWZFQRZ-MWLCHTKSSA-N 1 0 201.273 1.832 10 0 BDAERO COC[C@@]1(C(=O)N2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000643614547 384016023 /nfs/dbraw/zinc/01/60/23/384016023.db2.gz BOLDIXIHKVYLIH-DGCLKSJQSA-N 1 0 240.347 1.014 10 0 BDAERO Cc1cccc(NC(=O)[C@@H]2C[NH2+]CCOC2)c1C ZINC000643615153 384016507 /nfs/dbraw/zinc/01/65/07/384016507.db2.gz WOMXVWLJECGLRR-GFCCVEGCSA-N 1 0 248.326 1.478 10 0 BDAERO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nnnn1C(C)C ZINC000185650019 134387444 /nfs/dbraw/zinc/38/74/44/134387444.db2.gz WBKNZLZJFZPSOI-WDEREUQCSA-N 1 0 237.351 1.874 10 0 BDAERO Cc1cc(C)n(-c2nc(CC[NH3+])cs2)n1 ZINC000090397960 384045791 /nfs/dbraw/zinc/04/57/91/384045791.db2.gz JSDOEEBJLGGQNB-UHFFFAOYSA-N 1 0 222.317 1.447 10 0 BDAERO O=C(c1ccc(F)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000070083731 384077701 /nfs/dbraw/zinc/07/77/01/384077701.db2.gz XQNVDLWNGGIUOK-NSHDSACASA-N 1 0 249.289 1.141 10 0 BDAERO C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000035760328 384103170 /nfs/dbraw/zinc/10/31/70/384103170.db2.gz LFOUHGIOMOQDRD-VIFPVBQESA-N 1 0 211.286 1.125 10 0 BDAERO [NH3+]C[C@@](O)(c1c[nH]c2ccccc21)C(F)(F)F ZINC000039947682 384123897 /nfs/dbraw/zinc/12/38/97/384123897.db2.gz ADKNARNQNHGXIL-SNVBAGLBSA-N 1 0 244.216 1.877 10 0 BDAERO CN(c1nc2ccccc2[nH]1)[C@H]1CC[NH2+]C1 ZINC000070897179 384139629 /nfs/dbraw/zinc/13/96/29/384139629.db2.gz RREFERKQXKBOIY-VIFPVBQESA-N 1 0 216.288 1.361 10 0 BDAERO CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC000642693148 384145296 /nfs/dbraw/zinc/14/52/96/384145296.db2.gz XYVZYDQIVAJNQL-GRYCIOLGSA-N 1 0 224.348 1.681 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2occc2C)C1 ZINC000135178754 384168387 /nfs/dbraw/zinc/16/83/87/384168387.db2.gz FWVMROIZZDJBMI-LBPRGKRZSA-N 1 0 238.331 1.398 10 0 BDAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c(C)s1 ZINC000643590139 384178500 /nfs/dbraw/zinc/17/85/00/384178500.db2.gz SDGFPHFOQWXDSZ-LDYMZIIASA-N 1 0 238.356 1.927 10 0 BDAERO Cn1ccs/c1=N\C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000163228363 384180721 /nfs/dbraw/zinc/18/07/21/384180721.db2.gz YPCUXYKHRBIJAV-JQWSCHMGSA-N 1 0 239.344 1.031 10 0 BDAERO C[C@@H]1C[C@H](CO)C[N@@H+]1Cc1ccccc1 ZINC000118503180 384201676 /nfs/dbraw/zinc/20/16/76/384201676.db2.gz XTACUFSBKWAURO-YPMHNXCESA-N 1 0 205.301 1.889 10 0 BDAERO Cc1cn[nH]c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000289494230 384196131 /nfs/dbraw/zinc/19/61/31/384196131.db2.gz LIVUYLXBBNCGTG-JQWIXIFHSA-N 1 0 223.320 1.359 10 0 BDAERO C[NH2+][C@@H](C(N)=O)c1cc(Br)cs1 ZINC000041677760 384196996 /nfs/dbraw/zinc/19/69/96/384196996.db2.gz KKZKABYILVMZRK-ZCFIWIBFSA-N 1 0 249.133 1.256 10 0 BDAERO C[NH2+][C@@H](CO)c1ccc(Br)s1 ZINC000041703072 384197087 /nfs/dbraw/zinc/19/70/87/384197087.db2.gz ABOSFOYUGCOBQH-YFKPBYRVSA-N 1 0 236.134 1.763 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cccc(O)c1 ZINC000282320697 384232978 /nfs/dbraw/zinc/23/29/78/384232978.db2.gz NPSVPIDLIBRGIP-OUJBWJOFSA-N 1 0 248.326 1.710 10 0 BDAERO CCN1CCC[C@@H]1C[N@H+](C)CC(C)(C)O ZINC000082491729 384234924 /nfs/dbraw/zinc/23/49/24/384234924.db2.gz NTDNJPCWVUKQDR-LLVKDONJSA-N 1 0 214.353 1.173 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccccn1 ZINC000282325693 384236837 /nfs/dbraw/zinc/23/68/37/384236837.db2.gz LGRBORASMVGVSG-HOSYDEDBSA-N 1 0 233.315 1.399 10 0 BDAERO CC(C)CCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082559607 384237213 /nfs/dbraw/zinc/23/72/13/384237213.db2.gz HOYFOHLQSLZWIQ-WDEREUQCSA-N 1 0 212.337 1.394 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082559855 384237501 /nfs/dbraw/zinc/23/75/01/384237501.db2.gz UOLWPQWETCLQRY-XWLWVQCSSA-N 1 0 212.337 1.393 10 0 BDAERO O=C1CC[NH2+]C[C@H]1c1cc2cc[nH]c2cn1 ZINC000074115628 384274810 /nfs/dbraw/zinc/27/48/10/384274810.db2.gz IYYZJGKIPNAHHD-VIFPVBQESA-N 1 0 215.256 1.209 10 0 BDAERO [NH3+]CC[C@H]1CCC(=O)N1Cc1ccccc1 ZINC000044248861 384320827 /nfs/dbraw/zinc/32/08/27/384320827.db2.gz GXOXJYBZFHUQJL-GFCCVEGCSA-N 1 0 218.300 1.526 10 0 BDAERO CCc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)o1 ZINC000282455694 384288327 /nfs/dbraw/zinc/28/83/27/384288327.db2.gz STFCESOANIXYAA-BXKDBHETSA-N 1 0 236.315 1.599 10 0 BDAERO Cc1cnc(OC[C@H]2CCCC[NH2+]2)nc1Cl ZINC000095069346 384335212 /nfs/dbraw/zinc/33/52/12/384335212.db2.gz NSUNVSCQESMCQT-SECBINFHSA-N 1 0 241.722 1.959 10 0 BDAERO Clc1cnc(SC[C@H]2CCC[NH2+]2)nc1 ZINC000095070074 384335678 /nfs/dbraw/zinc/33/56/78/384335678.db2.gz SQNGDHUFNALODP-MRVPVSSYSA-N 1 0 229.736 1.974 10 0 BDAERO CN(c1cnc2ccccc2n1)C1CC[NH2+]CC1 ZINC000095070659 384336396 /nfs/dbraw/zinc/33/63/96/384336396.db2.gz NTBYTDAHVOOMAW-UHFFFAOYSA-N 1 0 242.326 1.818 10 0 BDAERO CN(c1nc2ccccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000095070528 384336642 /nfs/dbraw/zinc/33/66/42/384336642.db2.gz QZGFRQOVVKZGOV-SNVBAGLBSA-N 1 0 230.315 1.751 10 0 BDAERO Clc1nccc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070333 384336660 /nfs/dbraw/zinc/33/66/60/384336660.db2.gz AMGKTFSTWDQTOG-QMMMGPOBSA-N 1 0 227.695 1.651 10 0 BDAERO Clc1ccnc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000095070153 384336802 /nfs/dbraw/zinc/33/68/02/384336802.db2.gz SVNJCDRCZCCTHW-SSDOTTSWSA-N 1 0 212.684 1.151 10 0 BDAERO Clc1nccc(SC2CC[NH2+]CC2)n1 ZINC000095070178 384336846 /nfs/dbraw/zinc/33/68/46/384336846.db2.gz DAOSTOYTZMNUAW-UHFFFAOYSA-N 1 0 229.736 1.974 10 0 BDAERO Clc1nccc(SC[C@@H]2CCC[NH2+]2)n1 ZINC000095070181 384336955 /nfs/dbraw/zinc/33/69/55/384336955.db2.gz BYUOXQHCCLNYFS-ZETCQYMHSA-N 1 0 229.736 1.974 10 0 BDAERO CN(CC(=O)c1nccs1)[C@H]1CCC[NH2+]C1 ZINC000095070710 384337299 /nfs/dbraw/zinc/33/72/99/384337299.db2.gz GFRLQEDTSCHBBZ-VIFPVBQESA-N 1 0 239.344 1.010 10 0 BDAERO CN(CC(=O)c1ccco1)C[C@@H]1CCC[NH2+]1 ZINC000095070994 384338206 /nfs/dbraw/zinc/33/82/06/384338206.db2.gz TZSYCMGMCAYJPL-JTQLQIEISA-N 1 0 222.288 1.146 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000095071100 384338794 /nfs/dbraw/zinc/33/87/94/384338794.db2.gz MFBAXKMETBNTRM-SECBINFHSA-N 1 0 211.334 1.579 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)nn1 ZINC000095070772 384338912 /nfs/dbraw/zinc/33/89/12/384338912.db2.gz JEGKMGHAJNDVIR-VIFPVBQESA-N 1 0 240.738 1.708 10 0 BDAERO [NH3+][C@H]1CCCN(Cc2ccnc(Cl)n2)C1 ZINC000095072375 384342818 /nfs/dbraw/zinc/34/28/18/384342818.db2.gz CLXQWXJCFIIOIT-QMMMGPOBSA-N 1 0 226.711 1.053 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1ccnc(Cl)n1 ZINC000095072411 384342896 /nfs/dbraw/zinc/34/28/96/384342896.db2.gz UDFUIMQDBMOBPG-MRVPVSSYSA-N 1 0 226.711 1.448 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1NCc1ccnc(Cl)n1 ZINC000095072305 384343250 /nfs/dbraw/zinc/34/32/50/384343250.db2.gz LOHCYXOLSPQMPU-NXEZZACHSA-N 1 0 240.738 1.490 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1Nc1ncc(F)cn1 ZINC000095072217 384343786 /nfs/dbraw/zinc/34/37/86/384343786.db2.gz AXQUJGMEDRBEEN-RKDXNWHRSA-N 1 0 210.256 1.298 10 0 BDAERO [NH3+]C[C@@H]1CCCN1CC(=O)c1cccs1 ZINC000095072619 384344036 /nfs/dbraw/zinc/34/40/36/384344036.db2.gz CTMCNFSVNMOBNE-VIFPVBQESA-N 1 0 224.329 1.354 10 0 BDAERO O=C(COCC[C@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095072912 384346269 /nfs/dbraw/zinc/34/62/69/384346269.db2.gz IUDQVZPZSNOMER-LLVKDONJSA-N 1 0 236.315 1.746 10 0 BDAERO O=[S@](c1cnc2ccccc2n1)[C@@H]1CC[NH2+]C1 ZINC000095072989 384346323 /nfs/dbraw/zinc/34/63/23/384346323.db2.gz ZVKQGLRLHYVDTR-VVVCHXIZSA-N 1 0 247.323 1.099 10 0 BDAERO O=C(CNC[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000095072777 384346460 /nfs/dbraw/zinc/34/64/60/384346460.db2.gz ORNNSIDHZVWMLZ-VIFPVBQESA-N 1 0 239.344 1.058 10 0 BDAERO O=[S@](c1nc2ccccc2[nH]1)C1CC[NH2+]CC1 ZINC000095073418 384347689 /nfs/dbraw/zinc/34/76/89/384347689.db2.gz ZLCAANZKSNHBLE-QGZVFWFLSA-N 1 0 249.339 1.423 10 0 BDAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1nc2ccccc2[nH]1 ZINC000095073558 384347745 /nfs/dbraw/zinc/34/77/45/384347745.db2.gz KRFCPNBDRZEBFB-VVVCHXIZSA-N 1 0 249.339 1.423 10 0 BDAERO O=[S@](Cc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000095073628 384347900 /nfs/dbraw/zinc/34/79/00/384347900.db2.gz YRHPQAPWTTWONQ-BDJLRTHQSA-N 1 0 238.356 1.330 10 0 BDAERO O=[S@](Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000095073448 384348188 /nfs/dbraw/zinc/34/81/88/384348188.db2.gz RVWDCDVNFQEWQL-ABAIWWIYSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](Cc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000095073428 384348582 /nfs/dbraw/zinc/34/85/82/384348582.db2.gz VJIQPQDBJPIABF-ABAIWWIYSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](CC1CC[NH2+]CC1)c1ccccn1 ZINC000095073709 384350589 /nfs/dbraw/zinc/35/05/89/384350589.db2.gz PCZWPZVRONGYBO-HNNXBMFYSA-N 1 0 224.329 1.189 10 0 BDAERO Cc1ncsc1CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000335587016 384352635 /nfs/dbraw/zinc/35/26/35/384352635.db2.gz YVYATYNMXLWRJL-ONGXEEELSA-N 1 0 240.372 1.697 10 0 BDAERO c1cnc(OCCC[C@H]2CCCC[NH2+]2)cn1 ZINC000095092523 384362885 /nfs/dbraw/zinc/36/28/85/384362885.db2.gz KGHIZIUETQGAON-LLVKDONJSA-N 1 0 221.304 1.778 10 0 BDAERO c1cnc(COCCC[C@H]2CCC[NH2+]C2)cn1 ZINC000095092590 384363953 /nfs/dbraw/zinc/36/39/53/384363953.db2.gz DGUYKCUENIYCKH-GFCCVEGCSA-N 1 0 235.331 1.773 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cscn1 ZINC000335596312 384364359 /nfs/dbraw/zinc/36/43/59/384364359.db2.gz KTWRPOZSZHSGAS-WCBMZHEXSA-N 1 0 239.344 1.147 10 0 BDAERO Cc1ccc([S@@](=O)C[C@@H]2CCCC[NH2+]2)nn1 ZINC000095069117 384332547 /nfs/dbraw/zinc/33/25/47/384332547.db2.gz QTUMFXQIUJTWOZ-MGPLVRAMSA-N 1 0 239.344 1.035 10 0 BDAERO Cc1cc(N2CCCC[C@H]2C[NH3+])nc(Cl)n1 ZINC000095068830 384332820 /nfs/dbraw/zinc/33/28/20/384332820.db2.gz RWWRJLQBIWJYFA-VIFPVBQESA-N 1 0 240.738 1.756 10 0 BDAERO Cc1cc(Cl)nc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000095068911 384332896 /nfs/dbraw/zinc/33/28/96/384332896.db2.gz YTDSWEDSZMFXDT-VIFPVBQESA-N 1 0 240.738 1.614 10 0 BDAERO Clc1cc(OC[C@H]2CCCC[NH2+]2)ncn1 ZINC000095069824 384334062 /nfs/dbraw/zinc/33/40/62/384334062.db2.gz LVPHARCWGWWFRI-MRVPVSSYSA-N 1 0 227.695 1.651 10 0 BDAERO Clc1cc(OC[C@@H]2CCCC[NH2+]2)ncn1 ZINC000095069823 384334143 /nfs/dbraw/zinc/33/41/43/384334143.db2.gz LVPHARCWGWWFRI-QMMMGPOBSA-N 1 0 227.695 1.651 10 0 BDAERO OC1CC(C[NH2+]Cc2cccc(F)c2)C1 ZINC000084446006 384396633 /nfs/dbraw/zinc/39/66/33/384396633.db2.gz HTBQLKJGNZVKSP-UHFFFAOYSA-N 1 0 209.264 1.686 10 0 BDAERO CCSCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000121193446 384400035 /nfs/dbraw/zinc/40/00/35/384400035.db2.gz RXQVGFHDNAGMMQ-NSHDSACASA-N 1 0 239.388 1.963 10 0 BDAERO CN1C(=[NH2+])NC[C@@H]1c1ccccc1Cl ZINC000060099315 384424520 /nfs/dbraw/zinc/42/45/20/384424520.db2.gz DGTWYIOULAKAFA-SECBINFHSA-N 1 0 209.680 1.641 10 0 BDAERO CC1(CCNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000648174247 384375838 /nfs/dbraw/zinc/37/58/38/384375838.db2.gz VTIWPGPWNMPGAL-QWRGUYRKSA-N 1 0 224.348 1.668 10 0 BDAERO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)o1 ZINC000084226327 384379650 /nfs/dbraw/zinc/37/96/50/384379650.db2.gz QWDYUXIIWHPNIK-ZYHUDNBSSA-N 1 0 209.289 1.839 10 0 BDAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000334188212 384381816 /nfs/dbraw/zinc/38/18/16/384381816.db2.gz GDFUHXMDHGPPKV-NXEZZACHSA-N 1 0 208.305 1.187 10 0 BDAERO O=C1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000076914459 384387385 /nfs/dbraw/zinc/38/73/85/384387385.db2.gz VQMBNJQWFUEDAX-AWEZNQCLSA-N 1 0 231.295 1.968 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@@H]2CC23CC3)CC1 ZINC000648179916 384448819 /nfs/dbraw/zinc/44/88/19/384448819.db2.gz KVRDTKNCVZDNBM-UDNWOFFPSA-N 1 0 208.305 1.173 10 0 BDAERO CCC(CC)[C@H](O)C[NH2+]Cc1cnn(C)c1C ZINC000229810137 384432830 /nfs/dbraw/zinc/43/28/30/384432830.db2.gz AZRRNBSUWNTKPJ-CYBMUJFWSA-N 1 0 239.363 1.615 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000181061366 384433240 /nfs/dbraw/zinc/43/32/40/384433240.db2.gz PPCYTAQYVKRWEO-NEPJUHHUSA-N 1 0 222.336 1.789 10 0 BDAERO OCCC[NH2+]Cc1ccnc2ccccc12 ZINC000082665111 384438791 /nfs/dbraw/zinc/43/87/91/384438791.db2.gz TWGSRIOZCLEJQQ-UHFFFAOYSA-N 1 0 216.284 1.707 10 0 BDAERO CCC[C@@H](CC)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643666522 384443682 /nfs/dbraw/zinc/44/36/82/384443682.db2.gz OYKPZGHFVLWEIV-YPMHNXCESA-N 1 0 242.363 1.450 10 0 BDAERO CC(C)(CO)[NH2+]CC(=O)NC1CCCCCC1 ZINC000048013179 384473312 /nfs/dbraw/zinc/47/33/12/384473312.db2.gz BZYYVJKJDLQZET-UHFFFAOYSA-N 1 0 242.363 1.186 10 0 BDAERO CS(=O)(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000054930079 384511545 /nfs/dbraw/zinc/51/15/45/384511545.db2.gz XTRUJWDPLTWSRF-RKDXNWHRSA-N 1 0 205.323 1.081 10 0 BDAERO COC(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)OC ZINC000161830159 384529291 /nfs/dbraw/zinc/52/92/91/384529291.db2.gz LAGLERMIQXGKGD-NSHDSACASA-N 1 0 239.319 1.556 10 0 BDAERO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCn1cncn1 ZINC000309718430 384548547 /nfs/dbraw/zinc/54/85/47/384548547.db2.gz ZSEMXHAOBBQNFR-QWRGUYRKSA-N 1 0 222.336 1.692 10 0 BDAERO [NH3+]Cc1cn(C[C@H]2CCC(F)(F)C2)nn1 ZINC000300795982 384563498 /nfs/dbraw/zinc/56/34/98/384563498.db2.gz CHXCTHNUBIIHHF-ZETCQYMHSA-N 1 0 216.235 1.172 10 0 BDAERO Cc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c(C)n1 ZINC000164665093 384590198 /nfs/dbraw/zinc/59/01/98/384590198.db2.gz FPIJMLLBKYTNJK-VIFPVBQESA-N 1 0 233.315 1.492 10 0 BDAERO COc1cccnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000306119802 384572246 /nfs/dbraw/zinc/57/22/46/384572246.db2.gz ZGQBFYWPCIRLSF-ZDUSSCGKSA-N 1 0 233.315 1.280 10 0 BDAERO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000309735742 384573561 /nfs/dbraw/zinc/57/35/61/384573561.db2.gz CHYJZXVECRQGCW-QWRGUYRKSA-N 1 0 222.332 1.742 10 0 BDAERO Cc1ccnc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000184107663 384566162 /nfs/dbraw/zinc/56/61/62/384566162.db2.gz NBADHOZPZJPQJD-LLVKDONJSA-N 1 0 248.330 1.558 10 0 BDAERO CC(=O)N(C1CCC1)[C@H]1CCC[NH2+]CC1 ZINC000098209778 384604534 /nfs/dbraw/zinc/60/45/34/384604534.db2.gz WGOYOQVDTMEVLJ-LBPRGKRZSA-N 1 0 210.321 1.530 10 0 BDAERO [NH3+][C@H]1CC[C@H](Nc2nc3cccnc3[nH]2)CC1 ZINC000100267937 384627634 /nfs/dbraw/zinc/62/76/34/384627634.db2.gz OAQJUUJUPMXEHK-DTORHVGOSA-N 1 0 231.303 1.640 10 0 BDAERO [NH3+][C@H]1CC[C@H](NC(=O)Cc2ccsc2)CC1 ZINC000100267846 384628203 /nfs/dbraw/zinc/62/82/03/384628203.db2.gz VECCODMUOFZBRK-PHIMTYICSA-N 1 0 238.356 1.677 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403317994 384629032 /nfs/dbraw/zinc/62/90/32/384629032.db2.gz GXHCPVHPMTUQQD-KXNHARMFSA-N 1 0 222.332 1.148 10 0 BDAERO O=C(C[NH2+][C@H]1CC[C@H](O)CC1)c1nccs1 ZINC000100279991 384631634 /nfs/dbraw/zinc/63/16/34/384631634.db2.gz GZTDGVLLHZFPRS-DTORHVGOSA-N 1 0 240.328 1.219 10 0 BDAERO [NH3+]Cc1sccc1I ZINC000098095775 384592657 /nfs/dbraw/zinc/59/26/57/384592657.db2.gz PXIIQGSVLUPZBB-UHFFFAOYSA-N 1 0 239.081 1.811 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@H]2C[C@@H]2C)[nH]1 ZINC000086329690 384640257 /nfs/dbraw/zinc/64/02/57/384640257.db2.gz QTCNNAQLAHQOQU-XVKPBYJWSA-N 1 0 208.261 1.299 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]2C)[nH]1 ZINC000086329692 384640544 /nfs/dbraw/zinc/64/05/44/384640544.db2.gz QTCNNAQLAHQOQU-GMSGAONNSA-N 1 0 208.261 1.299 10 0 BDAERO C[C@@H]([NH3+])[C@H](N1CCSCC1)C(C)(C)C ZINC000043291933 384723455 /nfs/dbraw/zinc/72/34/55/384723455.db2.gz LQTSIOVIYHHEFU-ZJUUUORDSA-N 1 0 216.394 1.797 10 0 BDAERO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000309883777 384692383 /nfs/dbraw/zinc/69/23/83/384692383.db2.gz WZNMSNRKNAZBAE-JBLDHEPKSA-N 1 0 225.336 1.857 10 0 BDAERO CC[C@H](C)CN(CC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643728030 384703782 /nfs/dbraw/zinc/70/37/82/384703782.db2.gz WTVUNQADNROJBL-NWDGAFQWSA-N 1 0 242.363 1.117 10 0 BDAERO c1cn(CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cn1 ZINC000163012167 384720089 /nfs/dbraw/zinc/72/00/89/384720089.db2.gz XOHCOCOAHIFELN-ZDUSSCGKSA-N 1 0 245.330 1.833 10 0 BDAERO N[C@H](C[NH3+])c1cc(Cl)ccc1Cl ZINC000044469918 384734120 /nfs/dbraw/zinc/73/41/20/384734120.db2.gz VZBYMKAPTGANCR-MRVPVSSYSA-N 1 0 205.088 1.952 10 0 BDAERO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)on1 ZINC000334824467 384736619 /nfs/dbraw/zinc/73/66/19/384736619.db2.gz BOKJTTIMXRXKKA-WPRPVWTQSA-N 1 0 210.277 1.186 10 0 BDAERO CCOCC[NH2+]C1CC(c2ccccn2)C1 ZINC000309957123 384742016 /nfs/dbraw/zinc/74/20/16/384742016.db2.gz IXRCDDCXIZCONC-UHFFFAOYSA-N 1 0 220.316 1.954 10 0 BDAERO COCC[C@H]([NH3+])c1nc2c(cccc2F)[nH]1 ZINC000052785257 384745792 /nfs/dbraw/zinc/74/57/92/384745792.db2.gz DBOTVVGMCSQHCD-QMMMGPOBSA-N 1 0 223.251 1.738 10 0 BDAERO C[C@@H]([NH3+])c1noc(C(F)(F)C(F)F)n1 ZINC000156772210 384754046 /nfs/dbraw/zinc/75/40/46/384754046.db2.gz PQZPWMBKSWALIB-UWTATZPHSA-N 1 0 213.134 1.446 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000309768873 384818983 /nfs/dbraw/zinc/81/89/83/384818983.db2.gz KCAXVDNCYJSTFC-SRVKXCTJSA-N 1 0 225.332 1.713 10 0 BDAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000335123140 384827352 /nfs/dbraw/zinc/82/73/52/384827352.db2.gz RTXNDMQNEBXOEN-DGCLKSJQSA-N 1 0 237.347 1.512 10 0 BDAERO CCCCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000308596872 384832646 /nfs/dbraw/zinc/83/26/46/384832646.db2.gz ZFWSFQRWXBMJLZ-QWRGUYRKSA-N 1 0 201.310 1.258 10 0 BDAERO CCn1cncc1C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000335598057 384782009 /nfs/dbraw/zinc/78/20/09/384782009.db2.gz RRHWKJTWYCESLO-PWSUYJOCSA-N 1 0 223.320 1.248 10 0 BDAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCOC)C1 ZINC000101563567 384794769 /nfs/dbraw/zinc/79/47/69/384794769.db2.gz MRLOWLQPFPVBCU-GFCCVEGCSA-N 1 0 242.363 1.404 10 0 BDAERO CCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000105827973 384802001 /nfs/dbraw/zinc/80/20/01/384802001.db2.gz GFXOLQSJSZILFZ-CHWSQXEVSA-N 1 0 228.380 1.564 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])CC(F)F ZINC000648193647 384808766 /nfs/dbraw/zinc/80/87/66/384808766.db2.gz HCNDROGJWVQTGQ-AEJSXWLSSA-N 1 0 248.317 1.769 10 0 BDAERO Cc1nc(C[NH3+])sc1Br ZINC000083883339 384808941 /nfs/dbraw/zinc/80/89/41/384808941.db2.gz JTFHAQOEYDUKNY-UHFFFAOYSA-N 1 0 207.096 1.673 10 0 BDAERO N[C@H](C[NH3+])c1cc(F)ccc1Br ZINC000072201273 384814873 /nfs/dbraw/zinc/81/48/73/384814873.db2.gz YBCPNUZRBRSRBI-MRVPVSSYSA-N 1 0 233.084 1.547 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)c1cccc(O)c1 ZINC000084446092 384870710 /nfs/dbraw/zinc/87/07/10/384870710.db2.gz KFUJKQYHDIWAAC-JBLZRFIASA-N 1 0 221.300 1.814 10 0 BDAERO CC[C@@H]1CN(c2ncncc2Cl)CC[C@@H]1[NH3+] ZINC000163694318 384846091 /nfs/dbraw/zinc/84/60/91/384846091.db2.gz QKXOWXHRMHJUPE-SCZZXKLOSA-N 1 0 240.738 1.694 10 0 BDAERO C[C@H]([NH3+])c1cnn(Cc2ccccc2)c1 ZINC000054716855 384850782 /nfs/dbraw/zinc/85/07/82/384850782.db2.gz WZDNLLJTIXLGDY-JTQLQIEISA-N 1 0 201.273 1.951 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000648209792 384853184 /nfs/dbraw/zinc/85/31/84/384853184.db2.gz CJTQPUKKWMALOR-MCIGGMRASA-N 1 0 236.359 1.823 10 0 BDAERO Nc1nnc(SCC2CC[NH2+]CC2)s1 ZINC000043498262 384854110 /nfs/dbraw/zinc/85/41/10/384854110.db2.gz CNAPBYLAGJASIX-UHFFFAOYSA-N 1 0 230.362 1.212 10 0 BDAERO OC1CC(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403789847 384860188 /nfs/dbraw/zinc/86/01/88/384860188.db2.gz AQVSUFYHUCUDQE-OLBCXOKPSA-N 1 0 209.333 1.783 10 0 BDAERO Cn1cc([C@@H]2C[NH2+]CCN2)c2ccccc21 ZINC000071519372 384953613 /nfs/dbraw/zinc/95/36/13/384953613.db2.gz XRXFUHPJNRCOLB-LBPRGKRZSA-N 1 0 215.300 1.412 10 0 BDAERO CCCN(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057617713 384957472 /nfs/dbraw/zinc/95/74/72/384957472.db2.gz LBBGQTMRSRGHCB-LLVKDONJSA-N 1 0 227.352 1.522 10 0 BDAERO Cc1nsc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000301617134 384904618 /nfs/dbraw/zinc/90/46/18/384904618.db2.gz WAXSRTWZPUZCCC-PSASIEDQSA-N 1 0 240.376 1.987 10 0 BDAERO Cc1ccc(O)c(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000310234708 384915538 /nfs/dbraw/zinc/91/55/38/384915538.db2.gz ZVXURNNQKZLPIK-KOLCDFICSA-N 1 0 234.299 1.262 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccsc1 ZINC000085790243 384967766 /nfs/dbraw/zinc/96/77/66/384967766.db2.gz SKRUULCQRWTTAB-CMPLNLGQSA-N 1 0 240.372 1.729 10 0 BDAERO Cc1noc(CCC[NH2+][C@@H]2CCO[C@@H]2C)n1 ZINC000129417638 384995901 /nfs/dbraw/zinc/99/59/01/384995901.db2.gz PTOUMQDTPRBEAR-PSASIEDQSA-N 1 0 225.292 1.078 10 0 BDAERO C[C@@H](F)CC[NH2+]Cc1ccnc(N(C)C)n1 ZINC000339498744 385005984 /nfs/dbraw/zinc/00/59/84/385005984.db2.gz SLBUXHSUJSLSCR-SECBINFHSA-N 1 0 226.299 1.380 10 0 BDAERO Cc1nnc(N[C@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000307392218 385009504 /nfs/dbraw/zinc/00/95/04/385009504.db2.gz YDAYKETWKKZPGI-XPUUQOCRSA-N 1 0 212.322 1.256 10 0 BDAERO CC[C@H](C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C)OC ZINC000310375341 385015052 /nfs/dbraw/zinc/01/50/52/385015052.db2.gz ZMNJPUYXXCQAOS-BFHYXJOUSA-N 1 0 240.391 1.970 10 0 BDAERO Cc1cnc(NC[C@H](C)N2CCOCC2)s1 ZINC000302129710 384961539 /nfs/dbraw/zinc/96/15/39/384961539.db2.gz XSGCPMAHHXFYIW-VIFPVBQESA-N 1 0 241.360 1.584 10 0 BDAERO c1nc(CCN2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000086931097 385061505 /nfs/dbraw/zinc/06/15/05/385061505.db2.gz RUWOLFIBCAQXPY-GFCCVEGCSA-N 1 0 237.372 1.466 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@]1(C)CCCO1 ZINC000340237310 385042017 /nfs/dbraw/zinc/04/20/17/385042017.db2.gz SJGWLKMKDUTMSR-DMDPSCGWSA-N 1 0 229.364 1.941 10 0 BDAERO CS[C@H](C)C[NH2+]Cc1cnn(C)c1C ZINC000119296939 385042444 /nfs/dbraw/zinc/04/24/44/385042444.db2.gz ZUFMWRPFHXZHIA-MRVPVSSYSA-N 1 0 213.350 1.570 10 0 BDAERO C[C@@H](CCCC[NH3+])Nc1nccn2cnnc12 ZINC000310544563 385110568 /nfs/dbraw/zinc/11/05/68/385110568.db2.gz RXAODXYZUJNTRU-VIFPVBQESA-N 1 0 234.307 1.054 10 0 BDAERO Cl/C=C/C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000306615228 385129170 /nfs/dbraw/zinc/12/91/70/385129170.db2.gz BDWGFGPRRSTXHD-CNZCLXAMSA-N 1 0 201.697 1.992 10 0 BDAERO C[C@@H]1CSC[C@H]1[NH2+]CC1CC(O)C1 ZINC000307571434 385168950 /nfs/dbraw/zinc/16/89/50/385168950.db2.gz CXNODNHFQYJHBQ-SEZDTBSWSA-N 1 0 201.335 1.098 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCNC2=O)cs1 ZINC000308839465 385213244 /nfs/dbraw/zinc/21/32/44/385213244.db2.gz MUPYYFWUIQWLJV-SNVBAGLBSA-N 1 0 224.329 1.425 10 0 BDAERO [NH3+]C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000306562310 385242072 /nfs/dbraw/zinc/24/20/72/385242072.db2.gz CIMFTRHSKXRLOO-HTQZYQBOSA-N 1 0 215.297 1.014 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC000282525813 385242479 /nfs/dbraw/zinc/24/24/79/385242479.db2.gz YPOGZHMZFUGKEV-GXTWGEPZSA-N 1 0 246.354 1.876 10 0 BDAERO Cc1nnc(S[C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000051038334 385258311 /nfs/dbraw/zinc/25/83/11/385258311.db2.gz YXVVRAFVTYDVBJ-HTQZYQBOSA-N 1 0 213.306 1.598 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052270667 385271505 /nfs/dbraw/zinc/27/15/05/385271505.db2.gz UABMFDDXPJPJDQ-CABZTGNLSA-N 1 0 219.284 1.971 10 0 BDAERO COC[C@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000308911959 385286663 /nfs/dbraw/zinc/28/66/63/385286663.db2.gz DXZLYDWWGUTAIY-WDEREUQCSA-N 1 0 213.321 1.428 10 0 BDAERO COC[C@@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000308911956 385287026 /nfs/dbraw/zinc/28/70/26/385287026.db2.gz DXZLYDWWGUTAIY-GHMZBOCLSA-N 1 0 213.321 1.428 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000308927819 385289980 /nfs/dbraw/zinc/28/99/80/385289980.db2.gz QKQZMWGGWDMNJM-QJPTWQEYSA-N 1 0 207.321 1.826 10 0 BDAERO COC[C@]1(c2nc(C3CC3)no2)CCC[NH2+]1 ZINC000643935443 385297062 /nfs/dbraw/zinc/29/70/62/385297062.db2.gz OUUSIAIVTDHHSD-NSHDSACASA-N 1 0 223.276 1.172 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)[C@H]1CCCCO1 ZINC000308978591 385329524 /nfs/dbraw/zinc/32/95/24/385329524.db2.gz HIPQGSDGAWQPRK-NNYUYHANSA-N 1 0 213.321 1.711 10 0 BDAERO Cc1nc([C@H]2C[NH2+]C[C@@H]2c2ccncc2)no1 ZINC000409424466 385331903 /nfs/dbraw/zinc/33/19/03/385331903.db2.gz VLUGGYJZENTSNB-MNOVXSKESA-N 1 0 230.271 1.244 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCc2ccccc2)C1 ZINC000311164117 385347927 /nfs/dbraw/zinc/34/79/27/385347927.db2.gz ZHFSQMSALIXGRK-HUUCEWRRSA-N 1 0 249.354 1.701 10 0 BDAERO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cn1 ZINC000158121282 385348662 /nfs/dbraw/zinc/34/86/62/385348662.db2.gz UCRMFBNQOBFNBA-VXGBXAGGSA-N 1 0 236.315 1.341 10 0 BDAERO CSc1nc(Cl)cc(NN(C)C)[nH+]1 ZINC000149618404 385352392 /nfs/dbraw/zinc/35/23/92/385352392.db2.gz JSAUORDHIDCMTC-UHFFFAOYSA-N 1 0 218.713 1.740 10 0 BDAERO C[C@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000192984667 385379574 /nfs/dbraw/zinc/37/95/74/385379574.db2.gz RSLKIZCDQVTOQZ-NWDGAFQWSA-N 1 0 235.331 1.196 10 0 BDAERO CC[C@](C)(C[NH2+][C@H]1CCC[C@H](O)C1)OC ZINC000319433200 385396372 /nfs/dbraw/zinc/39/63/72/385396372.db2.gz KGOLAZVRPKKWFA-SDDRHHMPSA-N 1 0 215.337 1.695 10 0 BDAERO CC1CC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C1 ZINC000644063342 385412037 /nfs/dbraw/zinc/41/20/37/385412037.db2.gz QHBQIIQCYDWSCY-RSJDFQLWSA-N 1 0 224.348 1.618 10 0 BDAERO C1CSC(SC2CC[NH2+]CC2)=N1 ZINC000169724922 385417599 /nfs/dbraw/zinc/41/75/99/385417599.db2.gz HUJHUEJSLOOXGW-UHFFFAOYSA-N 1 0 202.348 1.574 10 0 BDAERO COC(=O)[C@H](N)COc1ccccc1Cl ZINC000169726701 385418217 /nfs/dbraw/zinc/41/82/17/385418217.db2.gz WRXWJFUAHXXTOF-MRVPVSSYSA-N 1 0 229.663 1.219 10 0 BDAERO COC(=O)[C@@H](N)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000169726793 385419235 /nfs/dbraw/zinc/41/92/35/385419235.db2.gz FCTACNBDFVWBLA-XCBNKYQSSA-N 1 0 243.690 1.608 10 0 BDAERO CC[C@H]([NH2+]CCCS(C)(=O)=O)C(C)(C)C ZINC000309190403 385457308 /nfs/dbraw/zinc/45/73/08/385457308.db2.gz PPOPMYIVVJWOLZ-JTQLQIEISA-N 1 0 235.393 1.835 10 0 BDAERO CC[C@H](Cn1cncn1)[NH2+][C@@H](C)C(C)C ZINC000309240464 385495707 /nfs/dbraw/zinc/49/57/07/385495707.db2.gz YHGJQUJYOFJKKL-WDEREUQCSA-N 1 0 210.325 1.691 10 0 BDAERO [NH3+][C@H]1CCN(c2ncc(Cl)s2)C1 ZINC000642999164 385498119 /nfs/dbraw/zinc/49/81/19/385498119.db2.gz PYXNZUJANLFFES-YFKPBYRVSA-N 1 0 203.698 1.334 10 0 BDAERO Cc1cccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000062669994 385500204 /nfs/dbraw/zinc/50/02/04/385500204.db2.gz HLCMKGGUNLQCNP-UHFFFAOYSA-N 1 0 242.326 1.795 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(F)c(F)c1 ZINC000036779161 385530258 /nfs/dbraw/zinc/53/02/58/385530258.db2.gz YZPGQAJYCUKURN-NXEZZACHSA-N 1 0 201.216 1.736 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O)c1cc(C)c(O)c(C)c1 ZINC000036779338 385535353 /nfs/dbraw/zinc/53/53/53/385535353.db2.gz NEQKXWPFJSCGNH-PWSUYJOCSA-N 1 0 209.289 1.780 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000644144957 385536681 /nfs/dbraw/zinc/53/66/81/385536681.db2.gz SMKOEWNDHQNWKV-VQXHTEKXSA-N 1 0 222.332 1.291 10 0 BDAERO CC(C)c1noc(N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000643041444 385545143 /nfs/dbraw/zinc/54/51/43/385545143.db2.gz YRRZOXYBNDOLEO-SFYZADRCSA-N 1 0 210.281 1.119 10 0 BDAERO CC(C)(C)OC(=O)N1CCCOC[C@H]1CC[NH3+] ZINC000257982902 385521967 /nfs/dbraw/zinc/52/19/67/385521967.db2.gz JYIUISWUSLFXLF-SNVBAGLBSA-N 1 0 244.335 1.361 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000309399974 385563076 /nfs/dbraw/zinc/56/30/76/385563076.db2.gz WAPRJQZGPSKFAW-NWDGAFQWSA-N 1 0 229.364 1.534 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000054076589 385594563 /nfs/dbraw/zinc/59/45/63/385594563.db2.gz ZWLJCDRMJPWCOA-ZCFIWIBFSA-N 1 0 213.306 1.306 10 0 BDAERO CCOC(=O)c1ccc(OC)c2c1CC[NH2+]C2 ZINC000259927175 385604723 /nfs/dbraw/zinc/60/47/23/385604723.db2.gz AJZURCCRYXXGNP-UHFFFAOYSA-N 1 0 235.283 1.518 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2CC2(O)CCCC2)cn1 ZINC000336613353 385586371 /nfs/dbraw/zinc/58/63/71/385586371.db2.gz LCBNKIWSGQQGGV-ZDUSSCGKSA-N 1 0 249.358 1.862 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)[C@@H]1CCCO1 ZINC000309446934 385586842 /nfs/dbraw/zinc/58/68/42/385586842.db2.gz PGIFTYGOMDDROI-LOWDOPEQSA-N 1 0 227.348 1.695 10 0 BDAERO CC1(C)CC([NH2+][C@H]2CCCn3ncnc32)C1 ZINC000309506595 385642309 /nfs/dbraw/zinc/64/23/09/385642309.db2.gz WAKBCKAKKKAZIO-JTQLQIEISA-N 1 0 220.320 1.891 10 0 BDAERO CO[C@H](C)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000182337557 385658951 /nfs/dbraw/zinc/65/89/51/385658951.db2.gz LWBNJTYERWAXOS-ZYHUDNBSSA-N 1 0 223.320 1.972 10 0 BDAERO CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2N1CC[NH2+]CC1 ZINC000253569828 385684187 /nfs/dbraw/zinc/68/41/87/385684187.db2.gz MVNXKTNNGHSVTC-COPLHBTASA-N 1 0 236.359 1.285 10 0 BDAERO [NH3+][C@@H]1CCN(c2ccsc2Cl)C1=O ZINC000306963960 385730222 /nfs/dbraw/zinc/73/02/22/385730222.db2.gz DBLDEMNYPYGJJP-RXMQYKEDSA-N 1 0 216.693 1.466 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000309611153 385740469 /nfs/dbraw/zinc/74/04/69/385740469.db2.gz AFKDAMUJYGRVMW-UMNHJUIQSA-N 1 0 221.304 1.375 10 0 BDAERO [NH3+]Cc1cc(Cn2cc(Cl)cn2)on1 ZINC000052577216 385741703 /nfs/dbraw/zinc/74/17/03/385741703.db2.gz AKIRMPUNLNEPIV-UHFFFAOYSA-N 1 0 212.640 1.032 10 0 BDAERO c1cn2c(n1)CC[C@H](C[NH2+]C1CCCC1)C2 ZINC000309644663 385767822 /nfs/dbraw/zinc/76/78/22/385767822.db2.gz VOXNCZRWMIWWTM-LLVKDONJSA-N 1 0 219.332 1.978 10 0 BDAERO COC[C@H](C)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187011833 385824367 /nfs/dbraw/zinc/82/43/67/385824367.db2.gz MDOGCFZAMVFPLJ-NSHDSACASA-N 1 0 242.363 1.212 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000215985185 385855152 /nfs/dbraw/zinc/85/51/52/385855152.db2.gz SDXCPFFWVANAKU-STQMWFEESA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1F ZINC000215985908 385855845 /nfs/dbraw/zinc/85/58/45/385855845.db2.gz ZIDHFNSCZCXOEM-GHMZBOCLSA-N 1 0 237.274 1.692 10 0 BDAERO Cc1c(C[NH2+][C@H]2CSC2(C)C)cnn1C ZINC000282625937 385924321 /nfs/dbraw/zinc/92/43/21/385924321.db2.gz FZDRLZQYMNSPKD-JTQLQIEISA-N 1 0 225.361 1.712 10 0 BDAERO COCc1noc([C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000070501813 385872136 /nfs/dbraw/zinc/87/21/36/385872136.db2.gz UUUWKMUTJPFXHN-HTQZYQBOSA-N 1 0 211.265 1.201 10 0 BDAERO CCN(C)C(=O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000217350377 385880965 /nfs/dbraw/zinc/88/09/65/385880965.db2.gz ZJKSWUNQLIYNHO-LBPRGKRZSA-N 1 0 248.326 1.447 10 0 BDAERO C[C@@H](Nc1ccc(Cl)nn1)[C@H](C)[NH3+] ZINC000307132597 385938130 /nfs/dbraw/zinc/93/81/30/385938130.db2.gz HCNYJVDYFSVCIY-NTSWFWBYSA-N 1 0 200.673 1.278 10 0 BDAERO COc1cccnc1N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309034428 385940609 /nfs/dbraw/zinc/94/06/09/385940609.db2.gz DYYINMXSXHFJEI-DTWKUNHWSA-N 1 0 207.277 1.016 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000336768301 385941553 /nfs/dbraw/zinc/94/15/53/385941553.db2.gz ULOUONYNLDPSII-GUBZILKMSA-N 1 0 210.321 1.432 10 0 BDAERO CC[C@H]([NH2+]C[C@H](O)CN(C)C)[C@@H]1CC1(C)C ZINC000414080607 385951953 /nfs/dbraw/zinc/95/19/53/385951953.db2.gz DIFMPAMXTYLJIL-SRVKXCTJSA-N 1 0 228.380 1.323 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CCC1 ZINC000335054979 385953315 /nfs/dbraw/zinc/95/33/15/385953315.db2.gz PKGMARBJRUTLBI-CMPLNLGQSA-N 1 0 224.348 1.776 10 0 BDAERO Cc1nn(C)cc1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000307652373 385965764 /nfs/dbraw/zinc/96/57/64/385965764.db2.gz SRUWYRCIBZBAIP-WPRPVWTQSA-N 1 0 207.277 1.039 10 0 BDAERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCNC1=O ZINC000336751011 386005691 /nfs/dbraw/zinc/00/56/91/386005691.db2.gz GFEIPUQKPUMMPA-MWLCHTKSSA-N 1 0 210.321 1.433 10 0 BDAERO CN1CC[C@]([NH3+])(c2ccsc2Cl)C1 ZINC000575562317 386028375 /nfs/dbraw/zinc/02/83/75/386028375.db2.gz YPEFLFODPGGMGO-SECBINFHSA-N 1 0 216.737 1.891 10 0 BDAERO Brc1cnccc1C[C@@H]1CC[NH2+]C1 ZINC000575563506 386040324 /nfs/dbraw/zinc/04/03/24/386040324.db2.gz NUIDYIIDTXVIJM-QMMMGPOBSA-N 1 0 241.132 1.996 10 0 BDAERO Clc1ccc(OC[C@@H]2CCC[NH2+]2)nc1 ZINC000051866232 386121388 /nfs/dbraw/zinc/12/13/88/386121388.db2.gz WQFSMSUEFYRSCL-VIFPVBQESA-N 1 0 212.680 1.866 10 0 BDAERO CO[C@H]1C[NH2+]CC[C@@H]1Cc1ccncc1 ZINC000222941524 386070495 /nfs/dbraw/zinc/07/04/95/386070495.db2.gz PTPZLASYQPKBOW-NEPJUHHUSA-N 1 0 206.289 1.249 10 0 BDAERO CC1(NC(=O)CC[C@H]2CCC[NH2+]2)CCOCC1 ZINC000310180812 386155689 /nfs/dbraw/zinc/15/56/89/386155689.db2.gz TXABJXSHDZCPKX-LLVKDONJSA-N 1 0 240.347 1.204 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CCC1CC1 ZINC000384454632 386156905 /nfs/dbraw/zinc/15/69/05/386156905.db2.gz IWAOAHNAZWCOOF-JQWIXIFHSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CCC1CC1 ZINC000384454633 386158314 /nfs/dbraw/zinc/15/83/14/386158314.db2.gz IWAOAHNAZWCOOF-PWSUYJOCSA-N 1 0 224.348 1.633 10 0 BDAERO C1CCC2(C1)[C@H]([NH2+][C@@H]1CCOC1)[C@H]1CCO[C@@H]12 ZINC000346218399 386173374 /nfs/dbraw/zinc/17/33/74/386173374.db2.gz UFIIKBXIAMKGMU-LPWJVIDDSA-N 1 0 237.343 1.713 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000336730980 386292620 /nfs/dbraw/zinc/29/26/20/386292620.db2.gz IPHGBEWUNRTZIB-UZWSLXQKSA-N 1 0 229.364 1.797 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CCC12CC([NH3+])C2 ZINC000263620129 386299024 /nfs/dbraw/zinc/29/90/24/386299024.db2.gz YQXBVCBCBXDETB-NBBOBHDQSA-N 1 0 226.320 1.781 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1C[C@H](C)[C@H]1C ZINC000575587924 386309707 /nfs/dbraw/zinc/30/97/07/386309707.db2.gz ABTTVYQBNAVCAD-QCLAVDOMSA-N 1 0 200.351 1.030 10 0 BDAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336774647 386356604 /nfs/dbraw/zinc/35/66/04/386356604.db2.gz ZMWXFOMRJTUSSJ-WCABBAIRSA-N 1 0 210.321 1.432 10 0 BDAERO OCC[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000347452252 386409104 /nfs/dbraw/zinc/40/91/04/386409104.db2.gz YULBZRRXCKRQJX-OLZOCXBDSA-N 1 0 227.348 1.650 10 0 BDAERO CC(C)=CC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000266214585 386414551 /nfs/dbraw/zinc/41/45/51/386414551.db2.gz QRJJEKXFRCOYPS-MNOVXSKESA-N 1 0 210.321 1.361 10 0 BDAERO C[C@@H]1C[C@H]1C[NH2+]Cc1ncccc1N(C)C ZINC000336777287 386421048 /nfs/dbraw/zinc/42/10/48/386421048.db2.gz HZURMWXIVQLXGF-MNOVXSKESA-N 1 0 219.332 1.893 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCCCF ZINC000399270125 386474067 /nfs/dbraw/zinc/47/40/67/386474067.db2.gz UBRHDTALVSIBIG-QWRGUYRKSA-N 1 0 203.301 1.971 10 0 BDAERO CC[C@@H]([NH3+])CNc1ccncc1Br ZINC000165051003 386504331 /nfs/dbraw/zinc/50/43/31/386504331.db2.gz CHUBADJCUBZSJI-SSDOTTSWSA-N 1 0 244.136 1.993 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278357548 386514302 /nfs/dbraw/zinc/51/43/02/386514302.db2.gz ILCCGLDXPWRKNE-HTRCEHHLSA-N 1 0 244.136 1.681 10 0 BDAERO C[NH2+][C@@H](CO)c1cc(F)c(F)c(F)c1 ZINC000062720520 386591942 /nfs/dbraw/zinc/59/19/42/386591942.db2.gz DHGAMRWRWNEGSR-QMMMGPOBSA-N 1 0 205.179 1.357 10 0 BDAERO Nc1ccccc1SC[C@H]1CC[NH2+]C1 ZINC000051891108 386627146 /nfs/dbraw/zinc/62/71/46/386627146.db2.gz YJNFKTGNSJMCAX-VIFPVBQESA-N 1 0 208.330 1.970 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1nc(Cl)cs1 ZINC000307398653 386609664 /nfs/dbraw/zinc/60/96/64/386609664.db2.gz ULUPVBBLUQPNGA-UHNVWZDZSA-N 1 0 205.714 1.944 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2CC=CC2)C1 ZINC000638490608 386615316 /nfs/dbraw/zinc/61/53/16/386615316.db2.gz BFQCIVJRMZPJIQ-GHMZBOCLSA-N 1 0 208.305 1.196 10 0 BDAERO [NH3+]Cc1csc(Cc2cccnc2)n1 ZINC000053132517 386664205 /nfs/dbraw/zinc/66/42/05/386664205.db2.gz MVPOHNGPNITQPS-UHFFFAOYSA-N 1 0 205.286 1.588 10 0 BDAERO CC1(C)C[N@@H+]([C@H]2CCCC2=O)CC[C@@H]1O ZINC000307506196 386697787 /nfs/dbraw/zinc/69/77/87/386697787.db2.gz LNVOSYBIWYLTEP-ONGXEEELSA-N 1 0 211.305 1.201 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@]12NC(C)(C)CS2 ZINC000307506212 386699566 /nfs/dbraw/zinc/69/95/66/386699566.db2.gz QLYVNHWPYVNYGW-SCZZXKLOSA-N 1 0 200.351 1.570 10 0 BDAERO N[C@@H](C[NH3+])c1c(F)c(F)cc(F)c1F ZINC000044469933 386780397 /nfs/dbraw/zinc/78/03/97/386780397.db2.gz NOUOUVYYCQLHGE-YFKPBYRVSA-N 1 0 208.158 1.202 10 0 BDAERO C[C@H]1NCCC[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000396600002 386785510 /nfs/dbraw/zinc/78/55/10/386785510.db2.gz MVZUKEXAFHFCGR-WYUUTHIRSA-N 1 0 212.337 1.142 10 0 BDAERO CCCn1ncnc1CN1CCC[C@H](O)[C@H]1C ZINC000394989821 386788001 /nfs/dbraw/zinc/78/80/01/386788001.db2.gz DPANYRQWAODIBQ-MNOVXSKESA-N 1 0 238.335 1.033 10 0 BDAERO Cc1c(C[NH2+]CCc2ccco2)cnn1C ZINC000086551929 386812770 /nfs/dbraw/zinc/81/27/70/386812770.db2.gz LSWFUGKBHFTOMU-UHFFFAOYSA-N 1 0 219.288 1.654 10 0 BDAERO c1cnc2c(c1)nccc2N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000395326407 386813867 /nfs/dbraw/zinc/81/38/67/386813867.db2.gz DBXHAGYSTYBSKB-GXFFZTMASA-N 1 0 240.310 1.428 10 0 BDAERO Cc1n[nH]c(C)c1CNc1cc[nH+]cc1C(N)=O ZINC000302232980 386917197 /nfs/dbraw/zinc/91/71/97/386917197.db2.gz STLVSARRVQCTDV-UHFFFAOYSA-N 1 0 245.286 1.133 10 0 BDAERO Cc1cc[nH+]c(NCCC2(C)OCCO2)c1 ZINC000302175579 386910704 /nfs/dbraw/zinc/91/07/04/386910704.db2.gz WTJPGKKZWHXKMW-UHFFFAOYSA-N 1 0 222.288 1.955 10 0 BDAERO CN(CC(C)(C)C[NH3+])c1ccc2nccnc2n1 ZINC000094726650 386957302 /nfs/dbraw/zinc/95/73/02/386957302.db2.gz PTONLLORYVRGIJ-UHFFFAOYSA-N 1 0 245.330 1.446 10 0 BDAERO CC(C)C[N@@H+]1Cc2ccoc2C[C@H]1CO ZINC000575407894 387007326 /nfs/dbraw/zinc/00/73/26/387007326.db2.gz ICIDKUQWINTXSZ-NSHDSACASA-N 1 0 209.289 1.655 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000334886320 386960155 /nfs/dbraw/zinc/96/01/55/386960155.db2.gz AZURSDXQZFRNLQ-NXEZZACHSA-N 1 0 213.325 1.082 10 0 BDAERO Cc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)no1 ZINC000186508231 386962290 /nfs/dbraw/zinc/96/22/90/386962290.db2.gz FQENCMYUGWPEIJ-JTQLQIEISA-N 1 0 249.314 1.340 10 0 BDAERO CCn1ccnc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398727008 386969988 /nfs/dbraw/zinc/96/99/88/386969988.db2.gz FOYCHTYRAUEMAO-AVGNSLFASA-N 1 0 249.358 1.496 10 0 BDAERO CCC[C@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783390 386977090 /nfs/dbraw/zinc/97/70/90/386977090.db2.gz AIELDSXGHHXMPI-NWDGAFQWSA-N 1 0 242.363 1.212 10 0 BDAERO [NH3+]C1(c2cncs2)CCSCC1 ZINC000575575873 387005398 /nfs/dbraw/zinc/00/53/98/387005398.db2.gz JSLGMLQLYPMZSZ-UHFFFAOYSA-N 1 0 200.332 1.824 10 0 BDAERO CC[NH2+][C@@H]1CO[C@@]2(CCS[C@H]2C)C1 ZINC000575461105 387030995 /nfs/dbraw/zinc/03/09/95/387030995.db2.gz CCQOQOMNFZMDNY-GUBZILKMSA-N 1 0 201.335 1.649 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)[C@@H]2C[C@H]2C)c1 ZINC000322291102 259703739 /nfs/dbraw/zinc/70/37/39/259703739.db2.gz CDXDYBIPXZQBHQ-IJLUTSLNSA-N 1 0 207.321 1.826 10 0 BDAERO C[C@H]1CCN[C@]2(CCC[NH2+]CC2)S1 ZINC000575577485 387036904 /nfs/dbraw/zinc/03/69/04/387036904.db2.gz ZAGHNZMZBMKXBL-VHSXEESVSA-N 1 0 200.351 1.571 10 0 BDAERO C[C@H]1CCS[C@]2(CCC[NH2+]CC2)N1 ZINC000575577371 387036944 /nfs/dbraw/zinc/03/69/44/387036944.db2.gz XABWOSJVWHCABH-UWVGGRQHSA-N 1 0 200.351 1.571 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](CC)CC1CC1 ZINC000193250844 387058472 /nfs/dbraw/zinc/05/84/72/387058472.db2.gz DUTSLJXHQZVXGT-CYBMUJFWSA-N 1 0 229.364 1.896 10 0 BDAERO COc1ccc(C[NH2+]CCn2cc(C)cn2)cn1 ZINC000228073583 387064946 /nfs/dbraw/zinc/06/49/46/387064946.db2.gz ZORAXLRWDXBZPV-UHFFFAOYSA-N 1 0 246.314 1.385 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2C1 ZINC000398922155 387020490 /nfs/dbraw/zinc/02/04/90/387020490.db2.gz QTATXPLPJSKTGF-SYQHCUMBSA-N 1 0 239.359 1.648 10 0 BDAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1cc(Br)nn1C ZINC000575455515 387027246 /nfs/dbraw/zinc/02/72/46/387027246.db2.gz MKPHLKMNLWYBIK-ACZMJKKPSA-N 1 0 244.136 1.633 10 0 BDAERO C[C@@H]1SCC[C@@]1([NH3+])c1cncs1 ZINC000575456143 387027566 /nfs/dbraw/zinc/02/75/66/387027566.db2.gz CXNZVJOXBCDVLT-XPUUQOCRSA-N 1 0 200.332 1.823 10 0 BDAERO [NH3+][C@@H]1COC[C@H]1c1sccc1Br ZINC000575456828 387029674 /nfs/dbraw/zinc/02/96/74/387029674.db2.gz QVTJICZRRDLWPK-IYSWYEEDSA-N 1 0 248.145 1.952 10 0 BDAERO Cc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)o1 ZINC000186507804 387106097 /nfs/dbraw/zinc/10/60/97/387106097.db2.gz VHDJNXNBVNUGIT-NSHDSACASA-N 1 0 248.326 1.945 10 0 BDAERO O=C(C=C1CCC1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186503874 387106428 /nfs/dbraw/zinc/10/64/28/387106428.db2.gz LMSZCTZLNYHYLX-GFCCVEGCSA-N 1 0 234.343 1.840 10 0 BDAERO CS[C@@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186510649 387107481 /nfs/dbraw/zinc/10/74/81/387107481.db2.gz RNEXVCZZBODVTM-UWVGGRQHSA-N 1 0 242.388 1.481 10 0 BDAERO CS(=O)(=O)c1ccc([C@H]([NH3+])CCF)cc1 ZINC000575439238 387122156 /nfs/dbraw/zinc/12/21/56/387122156.db2.gz QYUWFFAFMUYSEF-SNVBAGLBSA-N 1 0 231.292 1.450 10 0 BDAERO FC1(F)CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000335028354 387122274 /nfs/dbraw/zinc/12/22/74/387122274.db2.gz INZNMAXPSMBGHQ-RKDXNWHRSA-N 1 0 204.264 1.373 10 0 BDAERO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000359585094 387127868 /nfs/dbraw/zinc/12/78/68/387127868.db2.gz BDZCEVHCQMFHPT-DCAQKATOSA-N 1 0 209.289 1.422 10 0 BDAERO [NH3+][C@H](CCF)c1cccc2c1OCCO2 ZINC000575438468 387129608 /nfs/dbraw/zinc/12/96/08/387129608.db2.gz LBECTUXMBXQLHQ-SECBINFHSA-N 1 0 211.236 1.817 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2CC2)C1 ZINC000057870320 387144930 /nfs/dbraw/zinc/14/49/30/387144930.db2.gz KKTGGZPAIODKJV-LBPRGKRZSA-N 1 0 239.363 1.522 10 0 BDAERO [NH3+]C[C@H](c1ccc(O)cc1)C1(CO)CCCC1 ZINC000536952714 387166139 /nfs/dbraw/zinc/16/61/39/387166139.db2.gz FVLWPLXDVSIDMH-CYBMUJFWSA-N 1 0 235.327 1.987 10 0 BDAERO C[C@@H]1CC[C@H]([NH3+])CN1[C@H]1CCSC1 ZINC000575480275 387170188 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ZGDIFIOYAJERFY-MELADBBJSA-N 1 0 242.407 1.952 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCCCC[C@@H]2C)C1 ZINC000226733958 388727414 /nfs/dbraw/zinc/72/74/14/388727414.db2.gz XTOHHQDCVMGUBG-QJPTWQEYSA-N 1 0 240.347 1.154 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2ncccc2OC)C1 ZINC000127857758 388733279 /nfs/dbraw/zinc/73/32/79/388733279.db2.gz ARUQTLIAQGYUKB-LLVKDONJSA-N 1 0 235.331 1.986 10 0 BDAERO NC(=S)[C@@H]1CC[N@@H+]([C@H]2CCSC2)C1 ZINC000575454388 388760921 /nfs/dbraw/zinc/76/09/21/388760921.db2.gz QQASTYGGPKKRSR-SFYZADRCSA-N 1 0 216.375 1.100 10 0 BDAERO CCCCOCCCN[C@H]1CC[NH2+]C1 ZINC000229341139 388787108 /nfs/dbraw/zinc/78/71/08/388787108.db2.gz JQNKTUVCANSVCL-NSHDSACASA-N 1 0 200.326 1.145 10 0 BDAERO F[C@@H](C1C[NH2+]C1)C(F)(F)Br ZINC000575470088 388845282 /nfs/dbraw/zinc/84/52/82/388845282.db2.gz CKSKAYMDQGSHCO-BYPYZUCNSA-N 1 0 218.016 1.532 10 0 BDAERO FC1(F)CC(NC2=[NH+]CCCS2)C1 ZINC000575467210 388838481 /nfs/dbraw/zinc/83/84/81/388838481.db2.gz DGDDEFOJSWJZAW-UHFFFAOYSA-N 1 0 206.261 1.867 10 0 BDAERO [NH3+]Cc1cnc([C@@H]2CC2(Cl)Cl)o1 ZINC000575468938 388842084 /nfs/dbraw/zinc/84/20/84/388842084.db2.gz XWYMNPJIDKPAEA-YFKPBYRVSA-N 1 0 207.060 1.795 10 0 BDAERO C[C@H]1C[NH+]=C(NCC2CSC2)S1 ZINC000575488752 388880458 /nfs/dbraw/zinc/88/04/58/388880458.db2.gz WULCDNSNKUKNKK-LURJTMIESA-N 1 0 202.348 1.430 10 0 BDAERO CC[C@@H]1CS[C@]2(CO[C@@H](CC)C2)[NH2+]1 ZINC000575509934 389005834 /nfs/dbraw/zinc/00/58/34/389005834.db2.gz RERCKHCQFFGXTD-KXUCPTDWSA-N 1 0 201.335 1.997 10 0 BDAERO Nc1cc[nH+]c(N2CCCC[C@@H]2CCO)c1 ZINC000043567925 132353279 /nfs/dbraw/zinc/35/32/79/132353279.db2.gz QUOGUYXIHIFCLL-LLVKDONJSA-N 1 0 221.304 1.405 10 0 BDAERO Cc1ccc(N2CCCC[C@@H]2C[NH3+])nn1 ZINC000044559840 132354468 /nfs/dbraw/zinc/35/44/68/132354468.db2.gz ZEOHROQLIQQYKL-SNVBAGLBSA-N 1 0 206.293 1.103 10 0 BDAERO C[C@H]1CCCN(c2cccc(C[NH3+])n2)C1 ZINC000051396200 132360069 /nfs/dbraw/zinc/36/00/69/132360069.db2.gz WDUFOBWRYREXKK-JTQLQIEISA-N 1 0 205.305 1.777 10 0 BDAERO C[C@@H]1CN(c2ccnc(C[NH3+])c2)C[C@@H](C)O1 ZINC000051396183 132360072 /nfs/dbraw/zinc/36/00/72/132360072.db2.gz GGYUQQAUPZJTPO-NXEZZACHSA-N 1 0 221.304 1.154 10 0 BDAERO C[C@H]1C[C@H](C)CN(c2ccc(C[NH3+])nn2)C1 ZINC000051396438 132360211 /nfs/dbraw/zinc/36/02/11/132360211.db2.gz BHRHVMQGMPQFPR-UWVGGRQHSA-N 1 0 220.320 1.418 10 0 BDAERO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCO[C@H]2C)CCO1 ZINC000309432039 171129832 /nfs/dbraw/zinc/12/98/32/171129832.db2.gz ABZCBMFPFOEOAU-LOWDOPEQSA-N 1 0 227.348 1.959 10 0 BDAERO COc1ncccc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401961452 533258197 /nfs/dbraw/zinc/25/81/97/533258197.db2.gz OMNLFAOPPBSCDA-ZYHUDNBSSA-N 1 0 236.315 1.293 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)C1(C)C ZINC000084446796 322835660 /nfs/dbraw/zinc/83/56/60/322835660.db2.gz QRGCNZJLTCDUBB-HCWSGVFWSA-N 1 0 227.348 1.551 10 0 BDAERO CC(C)CCN(Cc1ccncc1)C(=O)C[NH3+] ZINC000076618300 166835641 /nfs/dbraw/zinc/83/56/41/166835641.db2.gz VGEFCLYZGQPXSI-UHFFFAOYSA-N 1 0 235.331 1.415 10 0 BDAERO [NH3+]C[C@H]1CCCN(c2ncncc2Cl)C1 ZINC000163561685 132235928 /nfs/dbraw/zinc/23/59/28/132235928.db2.gz JYIXROOKBFMJHO-MRVPVSSYSA-N 1 0 226.711 1.305 10 0 BDAERO C[C@H](CC[NH3+])C(=O)N1CCCc2ccccc21 ZINC000076615074 132309190 /nfs/dbraw/zinc/30/91/90/132309190.db2.gz MFFKIUWGNPDKKF-LLVKDONJSA-N 1 0 232.327 1.951 10 0 BDAERO Fc1cccc(Cl)c1N1CC[NH2+]CC1 ZINC000082967898 132310688 /nfs/dbraw/zinc/31/06/88/132310688.db2.gz YZHPRXFAGDVUFC-UHFFFAOYSA-N 1 0 214.671 1.889 10 0 BDAERO C[C@@H](C[NH3+])N1CCN(c2ccc(F)cc2)CC1 ZINC000019267088 132324330 /nfs/dbraw/zinc/32/43/30/132324330.db2.gz CELOKYOULVUCPE-NSHDSACASA-N 1 0 237.322 1.295 10 0 BDAERO Cc1cccc(N2CC[NH+](CC(N)=S)CC2)c1 ZINC000019434754 132325234 /nfs/dbraw/zinc/32/52/34/132325234.db2.gz HGVFRUUKKRCDGL-UHFFFAOYSA-N 1 0 249.383 1.403 10 0 BDAERO C[C@@H]1CN(c2ccccc2C[NH3+])C[C@@H](C)O1 ZINC000020075531 132329264 /nfs/dbraw/zinc/32/92/64/132329264.db2.gz RLCZGQBPXYFAOY-GHMZBOCLSA-N 1 0 220.316 1.759 10 0 BDAERO [NH3+]C[C@@H]1CN(c2ccc(CF)cc2)CCO1 ZINC000021983246 132332306 /nfs/dbraw/zinc/33/23/06/132332306.db2.gz MGMSFAVUQWRUAQ-GFCCVEGCSA-N 1 0 224.279 1.320 10 0 BDAERO C[C@H]1C[C@H](C)CN(c2ccc(C(N)=[NH2+])cn2)C1 ZINC000034717558 132336734 /nfs/dbraw/zinc/33/67/34/132336734.db2.gz JTFPLGZDEUXHGT-UWVGGRQHSA-N 1 0 232.331 1.848 10 0 BDAERO C[C@H]1COCCN1c1ccc(F)cc1C[NH3+] ZINC000035777667 132339445 /nfs/dbraw/zinc/33/94/45/132339445.db2.gz IISSLUMOPFBFEF-VIFPVBQESA-N 1 0 224.279 1.510 10 0 BDAERO C[C@@H]1CN(c2ccc(C[NH3+])cn2)[C@H](C)CO1 ZINC000035782475 132339573 /nfs/dbraw/zinc/33/95/73/132339573.db2.gz JJIKGGBHRRKGNB-NXEZZACHSA-N 1 0 221.304 1.154 10 0 BDAERO CC(C)[NH+]1CCN(c2ccc(CO)cc2)CC1 ZINC000036190443 132340667 /nfs/dbraw/zinc/34/06/67/132340667.db2.gz VYFWZTAUZZSYQC-UHFFFAOYSA-N 1 0 234.343 1.709 10 0 BDAERO Cc1[nH+]c(N2C[C@@H](C)O[C@@H](C)C2)ccc1N ZINC000036250996 132341666 /nfs/dbraw/zinc/34/16/66/132341666.db2.gz ZZKCYSJBOWMNGC-DTORHVGOSA-N 1 0 221.304 1.586 10 0 BDAERO C[N@@H+]1CC[C@@]12CCCN(c1cccnc1)C2 ZINC000036460104 132342217 /nfs/dbraw/zinc/34/22/17/132342217.db2.gz LRDCSKNSMGZKBX-CYBMUJFWSA-N 1 0 217.316 1.756 10 0 BDAERO CC[C@@H]1CN(c2ccc(C(N)=[NH2+])cc2)CCO1 ZINC000036769924 132342485 /nfs/dbraw/zinc/34/24/85/132342485.db2.gz PVZSDUPRVZXPPU-GFCCVEGCSA-N 1 0 233.315 1.586 10 0 BDAERO CC[C@H]1CO[C@H](C)CN1c1ncccc1C[NH3+] ZINC000036794461 132342722 /nfs/dbraw/zinc/34/27/22/132342722.db2.gz UVRMWYVAWQAXOZ-PWSUYJOCSA-N 1 0 235.331 1.544 10 0 BDAERO Cc1cc(C)c(C[NH3+])c(N2CCSCC2)n1 ZINC000040509432 132348325 /nfs/dbraw/zinc/34/83/25/132348325.db2.gz COESDOMTJZBQMD-UHFFFAOYSA-N 1 0 237.372 1.710 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCCC[C@H]1C(N)=O ZINC000042405693 132351255 /nfs/dbraw/zinc/35/12/55/132351255.db2.gz YLCRMHZXSZEZPO-ZDUSSCGKSA-N 1 0 247.342 1.250 10 0 BDAERO CCO[C@H]1CCCN(c2cc(C[NH3+])ccn2)C1 ZINC000042408114 132351399 /nfs/dbraw/zinc/35/13/99/132351399.db2.gz GKGBDGVHPGDHAB-LBPRGKRZSA-N 1 0 235.331 1.546 10 0 BDAERO COc1nc2ccccc2nc1N1CC[NH2+]CC1 ZINC000043220280 132352838 /nfs/dbraw/zinc/35/28/38/132352838.db2.gz NVGMMWBWCHIQLA-UHFFFAOYSA-N 1 0 244.298 1.048 10 0 BDAERO CC[C@H](C[NH3+])N1CC(=O)Nc2ccccc21 ZINC000043539361 132353431 /nfs/dbraw/zinc/35/34/31/132353431.db2.gz ODTAREQCFOJLAF-SECBINFHSA-N 1 0 219.288 1.182 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CCS(=O)CC1 ZINC000049691905 132356309 /nfs/dbraw/zinc/35/63/09/132356309.db2.gz OSBVLCYACKIUEJ-SNVBAGLBSA-N 1 0 238.356 1.275 10 0 BDAERO COc1ccccc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049694227 132356675 /nfs/dbraw/zinc/35/66/75/132356675.db2.gz XEDHLQXMBARYIM-MNOVXSKESA-N 1 0 220.316 1.869 10 0 BDAERO Nc1cc(Cl)ccc1N1CC[NH2+]CC1 ZINC000050607357 132359311 /nfs/dbraw/zinc/35/93/11/132359311.db2.gz HIUNLLUINZALLQ-UHFFFAOYSA-N 1 0 211.696 1.332 10 0 BDAERO C[C@@H]1CCCCN1c1ccc(C[NH3+])nn1 ZINC000051396149 132360084 /nfs/dbraw/zinc/36/00/84/132360084.db2.gz CAQNVNPERKMMAM-SECBINFHSA-N 1 0 206.293 1.314 10 0 BDAERO C[NH2+]Cc1ccc(N2CCC(C)CC2)nn1 ZINC000051399062 132360429 /nfs/dbraw/zinc/36/04/29/132360429.db2.gz IDHKCHBDWNYLIR-UHFFFAOYSA-N 1 0 220.320 1.432 10 0 BDAERO CC[NH2+]Cc1cccnc1N1CCOCC1 ZINC000051399170 132360575 /nfs/dbraw/zinc/36/05/75/132360575.db2.gz NGCROPOLUNRFOM-UHFFFAOYSA-N 1 0 221.304 1.028 10 0 BDAERO C[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)nn1 ZINC000051399978 132360682 /nfs/dbraw/zinc/36/06/82/132360682.db2.gz BWZCAURWAFSNSF-SNVBAGLBSA-N 1 0 220.320 1.432 10 0 BDAERO CC[NH2+]Cc1cccnc1N1CCSCC1 ZINC000051437864 132361088 /nfs/dbraw/zinc/36/10/88/132361088.db2.gz OHEMWJPTTNHPBG-UHFFFAOYSA-N 1 0 237.372 1.744 10 0 BDAERO CC[NH2+]Cc1cccnc1N1C[C@@H](C)OC[C@@H]1C ZINC000051444228 132361166 /nfs/dbraw/zinc/36/11/66/132361166.db2.gz TVZVUZIQUWASMH-NWDGAFQWSA-N 1 0 249.358 1.805 10 0 BDAERO CC[C@@H]1CN(c2ncccc2C[NH2+]C)CCO1 ZINC000051444489 132361185 /nfs/dbraw/zinc/36/11/85/132361185.db2.gz AMDFHOOMTPYCRQ-GFCCVEGCSA-N 1 0 235.331 1.416 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000051485614 132361299 /nfs/dbraw/zinc/36/12/99/132361299.db2.gz RAHHHNBVUBWUCP-QWHCGFSZSA-N 1 0 247.342 1.559 10 0 BDAERO C[C@H]1CC[C@H](C[NH3+])CN1c1ccccn1 ZINC000053704257 132363113 /nfs/dbraw/zinc/36/31/13/132363113.db2.gz UATXMXIETOYYOF-WDEREUQCSA-N 1 0 205.305 1.645 10 0 BDAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1cccnn1 ZINC000053704669 132363147 /nfs/dbraw/zinc/36/31/47/132363147.db2.gz UOPIVEYITZSYSM-ZJUUUORDSA-N 1 0 206.293 1.040 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ncccc1C ZINC000053706527 132363350 /nfs/dbraw/zinc/36/33/50/132363350.db2.gz SIRWHGVETYTIJL-LBPRGKRZSA-N 1 0 219.332 1.968 10 0 BDAERO C[C@H]1CN(c2cc(F)cc(F)c2)CC[NH2+]1 ZINC000054348212 132363953 /nfs/dbraw/zinc/36/39/53/132363953.db2.gz PESDXOPBJAMQIS-QMMMGPOBSA-N 1 0 212.243 1.763 10 0 BDAERO COc1ccc(C)cc1N1CC[NH2+][C@@H](C)C1 ZINC000055261729 132365646 /nfs/dbraw/zinc/36/56/46/132365646.db2.gz JJWNRHQCLOUSDD-NSHDSACASA-N 1 0 220.316 1.802 10 0 BDAERO Cc1c(N)cccc1N1CC[NH+](C2CC2)CC1 ZINC000062724909 132388728 /nfs/dbraw/zinc/38/87/28/132388728.db2.gz MATQHDNDRKWNGC-UHFFFAOYSA-N 1 0 231.343 1.862 10 0 BDAERO Cc1cnc(C)c(N2CCCC[C@@H]2[C@@H](C)[NH3+])n1 ZINC000063196814 132389442 /nfs/dbraw/zinc/38/94/42/132389442.db2.gz PDZWFJUHNUMWCT-ZYHUDNBSSA-N 1 0 234.347 1.800 10 0 BDAERO c1cc(C2CCCC2)nc(N2CC[NH2+]CC2)n1 ZINC000071397904 132392166 /nfs/dbraw/zinc/39/21/66/132392166.db2.gz UDJVAOMAEHRVBF-UHFFFAOYSA-N 1 0 232.331 1.544 10 0 BDAERO COc1cccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000071522598 132393205 /nfs/dbraw/zinc/39/32/05/132393205.db2.gz FVVUQJITYMGKON-MNOVXSKESA-N 1 0 220.316 1.882 10 0 BDAERO CC[C@H]1C[NH2+]CCN1c1ccc(Cl)cn1 ZINC000082476616 132413835 /nfs/dbraw/zinc/41/38/35/132413835.db2.gz PSQZNUTZDAHXLG-JTQLQIEISA-N 1 0 225.723 1.923 10 0 BDAERO COc1csc(C(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000088028961 133545329 /nfs/dbraw/zinc/54/53/29/133545329.db2.gz SKCMLGPNWFOVNC-MRVPVSSYSA-N 1 0 240.328 1.096 10 0 BDAERO CS[C@H](CO)[C@@H](C)[NH2+]CC1CCOCC1 ZINC000165643498 133666907 /nfs/dbraw/zinc/66/69/07/133666907.db2.gz VNZIIGVBISDXTO-MWLCHTKSSA-N 1 0 233.377 1.115 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)c1cc(Cl)ccn1 ZINC000335461842 133853532 /nfs/dbraw/zinc/85/35/32/133853532.db2.gz COVJXMBVLVATMQ-QMMMGPOBSA-N 1 0 239.706 1.074 10 0 BDAERO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000336160298 134110922 /nfs/dbraw/zinc/11/09/22/134110922.db2.gz GFKBNUQVZNQOMW-CHWSQXEVSA-N 1 0 237.343 1.999 10 0 BDAERO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCC1(O)CC1 ZINC000336170656 134114810 /nfs/dbraw/zinc/11/48/10/134114810.db2.gz VLURWTBVRMTDEK-STQMWFEESA-N 1 0 238.375 1.460 10 0 BDAERO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000168617137 134232186 /nfs/dbraw/zinc/23/21/86/134232186.db2.gz IFNOFXUKPIRILD-XBFCOCLRSA-N 1 0 247.338 1.408 10 0 BDAERO [NH3+][C@@H]1C[C@@H](NCCCO)c2ccccc21 ZINC000169234948 134250073 /nfs/dbraw/zinc/25/00/73/134250073.db2.gz YIZGIYGJSUUBQV-VXGBXAGGSA-N 1 0 206.289 1.103 10 0 BDAERO C[Si](C)(C)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171746665 134260692 /nfs/dbraw/zinc/26/06/92/134260692.db2.gz RLYVTFRJBJPFQE-NSHDSACASA-N 1 0 238.411 1.792 10 0 BDAERO CN(C(=O)CSc1ccccc1)C1C[NH2+]C1 ZINC000085257508 134267233 /nfs/dbraw/zinc/26/72/33/134267233.db2.gz GSWCGUDXIUKOQH-UHFFFAOYSA-N 1 0 236.340 1.209 10 0 BDAERO O=C(C1CC=CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172605170 134268652 /nfs/dbraw/zinc/26/86/52/134268652.db2.gz HESLFMJWQIVEIG-GFCCVEGCSA-N 1 0 220.316 1.259 10 0 BDAERO CCc1nc([C@H]2CN(CC(C)C)CCO2)n[nH]1 ZINC000173685657 134276182 /nfs/dbraw/zinc/27/61/82/134276182.db2.gz RTLCGQHFRBCZHN-SNVBAGLBSA-N 1 0 238.335 1.396 10 0 BDAERO CCc1nnc(CN2CCC[C@H]2C)n1C ZINC000174408240 134281299 /nfs/dbraw/zinc/28/12/99/134281299.db2.gz VWKUJLKNQPNONB-SECBINFHSA-N 1 0 208.309 1.362 10 0 BDAERO CCCn1ccc(C[NH2+][C@@H](C)CC(N)=O)c1 ZINC000220422410 134305341 /nfs/dbraw/zinc/30/53/41/134305341.db2.gz AHALXLXXIADVLZ-JTQLQIEISA-N 1 0 223.320 1.252 10 0 BDAERO O[C@H]1c2ccccc2C[C@H]1[NH2+]CC1=CCCOC1 ZINC000178166790 134306967 /nfs/dbraw/zinc/30/69/67/134306967.db2.gz KXADSCSOSUSGTI-CABCVRRESA-N 1 0 245.322 1.581 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCn2ncnc21)C1CCC1 ZINC000178355547 134308683 /nfs/dbraw/zinc/30/86/83/134308683.db2.gz FCLQJYGKCSNMAG-ONGXEEELSA-N 1 0 220.320 1.891 10 0 BDAERO COC[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178332006 134308876 /nfs/dbraw/zinc/30/88/76/134308876.db2.gz NZGREHVVVIILRS-AAEUAGOBSA-N 1 0 237.347 1.691 10 0 BDAERO O=C(C(C1CC1)C1CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178800168 134311381 /nfs/dbraw/zinc/31/13/81/134311381.db2.gz YLWLRFIECSPBFU-ZDUSSCGKSA-N 1 0 248.370 1.729 10 0 BDAERO C1=C(CN2CC[N@@H+]3CCC[C@@H]3C2)COCC1 ZINC000179549787 134321267 /nfs/dbraw/zinc/32/12/67/134321267.db2.gz HBRUKILDJRCKJD-CYBMUJFWSA-N 1 0 222.332 1.113 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]CCc2nnc[nH]2)[C@@H](C)C1 ZINC000222094225 134329305 /nfs/dbraw/zinc/32/93/05/134329305.db2.gz AXAPDSDAVMFWKF-OUAUKWLOSA-N 1 0 222.336 1.762 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CCC1 ZINC000180602394 134330448 /nfs/dbraw/zinc/33/04/48/134330448.db2.gz YCAZNNWYHVNQDO-GXSJLCMTSA-N 1 0 220.320 1.371 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000223535371 134340370 /nfs/dbraw/zinc/34/03/70/134340370.db2.gz MSFGDMNXRIEWJG-OPRDCNLKSA-N 1 0 203.326 1.406 10 0 BDAERO CO[C@@H](C)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000182174422 134342799 /nfs/dbraw/zinc/34/27/99/134342799.db2.gz YGYJWDCQAHMEHU-RYUDHWBXSA-N 1 0 238.335 1.025 10 0 BDAERO CC1(C)CCC(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000184006870 134355981 /nfs/dbraw/zinc/35/59/81/134355981.db2.gz QUCDZZMALAZASI-OLZOCXBDSA-N 1 0 241.375 1.630 10 0 BDAERO CCN(CC)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184307551 134362388 /nfs/dbraw/zinc/36/23/88/134362388.db2.gz CWELKFDTXODZAO-AXFHLTTASA-N 1 0 225.336 1.117 10 0 BDAERO CN(C(=O)Cc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000226458415 134363200 /nfs/dbraw/zinc/36/32/00/134363200.db2.gz VCSWNMBBUUBJKR-CYBMUJFWSA-N 1 0 247.342 1.225 10 0 BDAERO CC[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](C)C1 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C[C@@H]1SCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000653176439 410152168 /nfs/dbraw/zinc/15/21/68/410152168.db2.gz VCMMBTPAPDJSQI-LMLFDSFASA-N 1 0 242.388 1.385 10 0 BDAERO Brc1csc([C@H]2CC[NH2+]C2)n1 ZINC000044122163 166105692 /nfs/dbraw/zinc/10/56/92/166105692.db2.gz DTNKYXIGHIUMRN-YFKPBYRVSA-N 1 0 233.134 1.983 10 0 BDAERO Brc1cnccc1[C@H]1CC[NH2+]C1 ZINC000211516775 166106270 /nfs/dbraw/zinc/10/62/70/166106270.db2.gz SJBCABNPLQVOGG-ZETCQYMHSA-N 1 0 227.105 1.921 10 0 BDAERO C[C@]1(C2CC2)C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000661169346 410316220 /nfs/dbraw/zinc/31/62/20/410316220.db2.gz AJJAXYANNQBMOS-JHJVBQTASA-N 1 0 225.332 1.401 10 0 BDAERO Cc1ncc(CNC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000128995805 410364726 /nfs/dbraw/zinc/36/47/26/410364726.db2.gz FKQKZQJNSWUVTC-SNVBAGLBSA-N 1 0 241.360 1.441 10 0 BDAERO CC[C@H](C)N(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128899356 410364782 /nfs/dbraw/zinc/36/47/82/410364782.db2.gz FKLVLSOITTUWSQ-VHSXEESVSA-N 1 0 200.326 1.617 10 0 BDAERO Cc1n[nH]c(C)c1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000335598070 410450286 /nfs/dbraw/zinc/45/02/86/410450286.db2.gz SNHJPLFQCDPEJX-XCBNKYQSSA-N 1 0 236.319 1.353 10 0 BDAERO CC(C)(C)CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000055089448 166586550 /nfs/dbraw/zinc/58/65/50/166586550.db2.gz KBJHJPNFBYMEIC-NXEZZACHSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC000096214513 166707449 /nfs/dbraw/zinc/70/74/49/166707449.db2.gz AGRXELXEEVPINQ-GFCCVEGCSA-N 1 0 210.321 1.387 10 0 BDAERO Cc1ccc(CC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1C ZINC000393984428 410773800 /nfs/dbraw/zinc/77/38/00/410773800.db2.gz JEYHFGNRRBFUDL-TZMCWYRMSA-N 1 0 246.354 1.794 10 0 BDAERO COCC1(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000655490461 410807543 /nfs/dbraw/zinc/80/75/43/410807543.db2.gz KYXFFUMXCRISAQ-MNOVXSKESA-N 1 0 240.347 1.047 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000395241589 410843958 /nfs/dbraw/zinc/84/39/58/410843958.db2.gz KWDRJCBMEDZYFQ-SCVCMEIPSA-N 1 0 224.348 1.537 10 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CC(C)C[NH2+]Cc1cccnc1-n1cncn1 ZINC000051489495 167010502 /nfs/dbraw/zinc/01/05/02/167010502.db2.gz OWEILVSXPYNQAC-UHFFFAOYSA-N 1 0 231.303 1.408 10 0 BDAERO CC(C)NC(=O)CN1Cc2ccccc2C1=[NH2+] ZINC000036781836 167054935 /nfs/dbraw/zinc/05/49/35/167054935.db2.gz ZGZHMAOJBZFYLR-UHFFFAOYSA-N 1 0 231.299 1.352 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1csc(C)n1 ZINC000041011293 410901501 /nfs/dbraw/zinc/90/15/01/410901501.db2.gz INMNFELPEQROSI-OIBJUYFYSA-N 1 0 241.360 1.441 10 0 BDAERO CC(C)NC(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000035691115 167074722 /nfs/dbraw/zinc/07/47/22/167074722.db2.gz OWSVRTGLKNEEIH-UWVGGRQHSA-N 1 0 213.325 1.225 10 0 BDAERO CC(C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106453500 167082055 /nfs/dbraw/zinc/08/20/55/167082055.db2.gz GVSBFRYKPZCAOV-CYBMUJFWSA-N 1 0 234.343 1.684 10 0 BDAERO CC(C)NC(=O)c1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000037023555 167088073 /nfs/dbraw/zinc/08/80/73/167088073.db2.gz OSSVWMGZNORHPI-SECBINFHSA-N 1 0 249.314 1.111 10 0 BDAERO CC(C)[NH2+]CC1CCN(Cc2ncccn2)CC1 ZINC000054460411 167100850 /nfs/dbraw/zinc/10/08/50/167100850.db2.gz LDESCFRBNNQBLZ-UHFFFAOYSA-N 1 0 248.374 1.687 10 0 BDAERO CC(C)[NH2+]C[C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000052951313 167112818 /nfs/dbraw/zinc/11/28/18/167112818.db2.gz HGCVIDXEWUXXBX-UWVGGRQHSA-N 1 0 219.350 1.055 10 0 BDAERO CC(C)[NH2+][C@@H](CC[N@@H+]1CCCC1(C)C)C(=O)[O-] ZINC000063072880 167131568 /nfs/dbraw/zinc/13/15/68/167131568.db2.gz ZVCKQAFTZGAPCO-NSHDSACASA-N 1 0 242.363 1.702 10 0 BDAERO CC(C)[NH2+][C@H](C(N)=O)c1cccc(F)c1 ZINC000037869308 167137720 /nfs/dbraw/zinc/13/77/20/167137720.db2.gz JZFSQCWQSZMCBK-JTQLQIEISA-N 1 0 210.252 1.350 10 0 BDAERO CC(C)[NH2+][C@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000071547765 167138456 /nfs/dbraw/zinc/13/84/56/167138456.db2.gz MXYOSFHSPUFZBJ-RNCFNFMXSA-N 1 0 237.299 1.835 10 0 BDAERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000037446548 167142735 /nfs/dbraw/zinc/14/27/35/167142735.db2.gz JQJYSIARGGPJQL-LBPRGKRZSA-N 1 0 206.289 1.385 10 0 BDAERO CC(C)Nc1ccccc1C(=O)NCC[NH3+] ZINC000062820115 167147427 /nfs/dbraw/zinc/14/74/27/167147427.db2.gz ZZMBFGHGBLGCKU-UHFFFAOYSA-N 1 0 221.304 1.195 10 0 BDAERO CC(C)OC(=O)Nc1ccc(C[NH3+])cn1 ZINC000051953391 167165919 /nfs/dbraw/zinc/16/59/19/167165919.db2.gz HFYCOHLPKJKOKI-UHFFFAOYSA-N 1 0 209.249 1.497 10 0 BDAERO CC(C)OC1CC([NH2+]C[C@H]2CCC[C@H]2O)C1 ZINC000336744284 167176531 /nfs/dbraw/zinc/17/65/31/167176531.db2.gz QAUKNSPSSATWSY-IKWCTNDRSA-N 1 0 227.348 1.693 10 0 BDAERO CC(C)OCCOc1ncccc1C(N)=[NH2+] ZINC000019428793 167249043 /nfs/dbraw/zinc/24/90/43/167249043.db2.gz UUCXIHUBTYKPPA-UHFFFAOYSA-N 1 0 223.276 1.169 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000308824564 167254687 /nfs/dbraw/zinc/25/46/87/167254687.db2.gz DGOCFGCKDMIUCU-MNOVXSKESA-N 1 0 217.353 1.797 10 0 BDAERO CC(C)Oc1cc(OC2CC2)c(C[NH3+])cn1 ZINC000095738132 167289136 /nfs/dbraw/zinc/28/91/36/167289136.db2.gz JIDFGBKUSVEMOM-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)Oc1ccc(OC2CC2)c(C[NH3+])n1 ZINC000095738201 167297265 /nfs/dbraw/zinc/29/72/65/167297265.db2.gz BWRBBZLIPKEXDU-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)[C@@H](C)NC(=O)CN[C@H](C)CC[NH+](C)C ZINC000049557091 167372780 /nfs/dbraw/zinc/37/27/80/167372780.db2.gz MNCUGTAZJFHDCT-VXGBXAGGSA-N 1 0 243.395 1.077 10 0 BDAERO CC(C)[C@@H](C[NH3+])n1cc(Br)cn1 ZINC000052577502 167396658 /nfs/dbraw/zinc/39/66/58/167396658.db2.gz RLOLJTMNQFOONI-MRVPVSSYSA-N 1 0 232.125 1.801 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@H]([NH3+])C(C)(C)C ZINC000077558696 167379213 /nfs/dbraw/zinc/37/92/13/167379213.db2.gz SLKJWYGHMUDXTI-BDAKNGLRSA-N 1 0 200.326 1.521 10 0 BDAERO CC(C)[C@@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392430 167422780 /nfs/dbraw/zinc/42/27/80/167422780.db2.gz QGLSNBMHCOTONG-GFCCVEGCSA-N 1 0 233.315 1.533 10 0 BDAERO [NH3+]CCCOCCNc1ncnc2ccccc21 ZINC000630533353 410967392 /nfs/dbraw/zinc/96/73/92/410967392.db2.gz CIBXFBMPIFOTSD-UHFFFAOYSA-N 1 0 246.314 1.407 10 0 BDAERO CC[C@@H](O)CCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000398497697 410968739 /nfs/dbraw/zinc/96/87/39/410968739.db2.gz IMXQAFIDXHPVTD-MNOVXSKESA-N 1 0 230.352 1.027 10 0 BDAERO C[C@H](Cc1ccccn1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000655498875 411012133 /nfs/dbraw/zinc/01/21/33/411012133.db2.gz GGFBLGSBEWYHGW-BXUZGUMPSA-N 1 0 247.342 1.271 10 0 BDAERO CC[NH+](CC)[C@@H](C)CNCc1ccc(CO)o1 ZINC000174259149 169796240 /nfs/dbraw/zinc/79/62/40/169796240.db2.gz HWXLLKYMGJTNFG-NSHDSACASA-N 1 0 240.347 1.592 10 0 BDAERO CC(C)c1cc(OCC2CC[NH2+]CC2)ncn1 ZINC000051869954 167576834 /nfs/dbraw/zinc/57/68/34/167576834.db2.gz MOFWJSYLZFCLRW-UHFFFAOYSA-N 1 0 235.331 1.978 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@@H]([NH3+])C2CCC2)o1 ZINC000399154128 411022447 /nfs/dbraw/zinc/02/24/47/411022447.db2.gz CHTIOBPCLBGMIM-WPRPVWTQSA-N 1 0 237.303 1.288 10 0 BDAERO CC(C)c1ccc([C@H](O)CN2CC[NH2+]CC2)cc1 ZINC000020264134 167618148 /nfs/dbraw/zinc/61/81/48/167618148.db2.gz SNGUQKUUVXZFOV-OAHLLOKOSA-N 1 0 248.370 1.749 10 0 BDAERO C[C@H]([NH3+])CNc1nc2c(cccc2F)n1C ZINC000212502756 411147451 /nfs/dbraw/zinc/14/74/51/411147451.db2.gz HCGPIPHDGNNDIC-ZETCQYMHSA-N 1 0 222.267 1.472 10 0 BDAERO CC1CC(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000309515160 411157811 /nfs/dbraw/zinc/15/78/11/411157811.db2.gz RCYVZVBRHRWMOQ-DJRKXVOMSA-N 1 0 210.321 1.289 10 0 BDAERO CC(C)(CCN1CCO[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000655939338 411160532 /nfs/dbraw/zinc/16/05/32/411160532.db2.gz GLTAXGAHVSMGDK-QWHCGFSZSA-N 1 0 238.375 1.485 10 0 BDAERO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])c(C)[nH]1 ZINC000309364856 411108058 /nfs/dbraw/zinc/10/80/58/411108058.db2.gz BBGMBLKMDSSAQA-SSDOTTSWSA-N 1 0 209.293 1.099 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000300359580 411118235 /nfs/dbraw/zinc/11/82/35/411118235.db2.gz KTKDMRFHQBCERO-VLEAKVRGSA-N 1 0 210.321 1.289 10 0 BDAERO Clc1ccc(NCC[NH2+]C2CC2)nc1 ZINC000054267892 411125899 /nfs/dbraw/zinc/12/58/99/411125899.db2.gz NICOOAPUSKCCPA-UHFFFAOYSA-N 1 0 211.696 1.899 10 0 BDAERO CN(C)c1ccc(Br)cc1C(N)=[NH2+] ZINC000165270816 411167965 /nfs/dbraw/zinc/16/79/65/411167965.db2.gz IYSVFVLWOGNJOC-UHFFFAOYSA-N 1 0 242.120 1.799 10 0 BDAERO CC[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)C(C)C ZINC000309544504 411169268 /nfs/dbraw/zinc/16/92/68/411169268.db2.gz ZFVUHGZNDFQRQM-VHSXEESVSA-N 1 0 212.337 1.535 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000657944386 411177119 /nfs/dbraw/zinc/17/71/19/411177119.db2.gz AAJQEDHOXUOLFG-QWHCGFSZSA-N 1 0 238.375 1.629 10 0 BDAERO CC(C)n1cc(N2CCC([NH3+])CC2)cn1 ZINC000061683364 167755739 /nfs/dbraw/zinc/75/57/39/167755739.db2.gz BVGZJZWBEJFPHX-UHFFFAOYSA-N 1 0 208.309 1.392 10 0 BDAERO COCC1(CC(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000401298193 411190300 /nfs/dbraw/zinc/19/03/00/411190300.db2.gz QZPSPNWMRHEKJU-MNOVXSKESA-N 1 0 240.347 1.047 10 0 BDAERO OCC1CC([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000658353507 411244271 /nfs/dbraw/zinc/24/42/71/411244271.db2.gz NJIIDCCDHRCRHW-UTVJUBTNSA-N 1 0 209.333 1.926 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000309982553 411194518 /nfs/dbraw/zinc/19/45/18/411194518.db2.gz GQHVWGDUGHGRMB-BFHYXJOUSA-N 1 0 238.375 1.460 10 0 BDAERO CCc1csc(NCC[NH2+]C2CC2)n1 ZINC000061894889 411195722 /nfs/dbraw/zinc/19/57/22/411195722.db2.gz SGNAOOKJPLGBAK-UHFFFAOYSA-N 1 0 211.334 1.869 10 0 BDAERO CC(C)n1cnnc1[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070502046 167783747 /nfs/dbraw/zinc/78/37/47/167783747.db2.gz FZWQXVMJUZEXRO-ZJUUUORDSA-N 1 0 208.309 1.844 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC1(C)C ZINC000129053993 411216495 /nfs/dbraw/zinc/21/64/95/411216495.db2.gz NYSCCQJGZKTASE-JTQLQIEISA-N 1 0 212.337 1.761 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCSC[C@H]1C ZINC000129076911 411218040 /nfs/dbraw/zinc/21/80/40/411218040.db2.gz JRYGGAVRESYQFM-NXEZZACHSA-N 1 0 230.377 1.324 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1cc(F)cc(F)c1 ZINC000658052748 411219640 /nfs/dbraw/zinc/21/96/40/411219640.db2.gz GVSVTUZQZCEHMA-RDDDGLTNSA-N 1 0 240.253 1.504 10 0 BDAERO Cc1ccc(C2CC([NH2+][C@@H]3CCNC3=O)C2)cc1 ZINC000658052734 411220089 /nfs/dbraw/zinc/22/00/89/411220089.db2.gz OIIXNVAHRLYROB-JXQTWKCFSA-N 1 0 244.338 1.719 10 0 BDAERO CC(C)CC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC000658053311 411221211 /nfs/dbraw/zinc/22/12/11/411221211.db2.gz VPOIOWMAQJAYIW-VXGBXAGGSA-N 1 0 224.348 1.679 10 0 BDAERO C[C@H]1CCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000070834218 411227344 /nfs/dbraw/zinc/22/73/44/411227344.db2.gz LPPPUISAACJQOK-XKGSQUFQSA-N 1 0 224.348 1.809 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC1CCCCC1 ZINC000128842114 411234420 /nfs/dbraw/zinc/23/44/20/411234420.db2.gz FNVSLWHOBKYIIA-NSHDSACASA-N 1 0 212.337 1.809 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCOCC23CCC3)C1 ZINC000660118769 411237141 /nfs/dbraw/zinc/23/71/41/411237141.db2.gz WIEQNLDAHYCNOE-QWHCGFSZSA-N 1 0 239.359 1.792 10 0 BDAERO CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(C)o1 ZINC000310435235 411238239 /nfs/dbraw/zinc/23/82/39/411238239.db2.gz UISNPUOSNQYVNZ-NEPJUHHUSA-N 1 0 240.347 1.551 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@@H](n2ccc(N)n2)CC1 ZINC000616666340 411239235 /nfs/dbraw/zinc/23/92/35/411239235.db2.gz OTZCJIQXBQGYEL-LLVKDONJSA-N 1 0 238.335 1.485 10 0 BDAERO CC/C=C(\C)C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038049187 167836985 /nfs/dbraw/zinc/83/69/85/167836985.db2.gz BLXAETVRWRSJKW-FSZCPTMNSA-N 1 0 210.321 1.729 10 0 BDAERO CC(C)[C@H](C)n1nnc2c1C[C@H]([NH3+])CC2 ZINC000536958835 411265656 /nfs/dbraw/zinc/26/56/56/411265656.db2.gz INPBLEPSPBKIOA-DTWKUNHWSA-N 1 0 208.309 1.311 10 0 BDAERO Cc1cc(C(C)C)nc(N(C)CCC[NH3+])n1 ZINC000212536189 411291041 /nfs/dbraw/zinc/29/10/41/411291041.db2.gz LUQUERJSUOTDAQ-UHFFFAOYSA-N 1 0 222.336 1.693 10 0 BDAERO Cc1ccnc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000128883890 411293712 /nfs/dbraw/zinc/29/37/12/411293712.db2.gz GDYKXPLLVQRELH-JTQLQIEISA-N 1 0 221.304 1.702 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCc1cccnc1 ZINC000128886603 411294554 /nfs/dbraw/zinc/29/45/54/411294554.db2.gz PDEGFXVMHNMSAL-LLVKDONJSA-N 1 0 221.304 1.071 10 0 BDAERO CC[C@@H]([NH2+]C1CC(CO)C1)[C@@H]1CCOC1 ZINC000658357424 411303443 /nfs/dbraw/zinc/30/34/43/411303443.db2.gz UUKIDWVASLFHTB-RUJICJSRSA-N 1 0 213.321 1.162 10 0 BDAERO C[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H]1O ZINC000656689955 411330903 /nfs/dbraw/zinc/33/09/03/411330903.db2.gz DJYJYZIIKTZEGE-VXGBXAGGSA-N 1 0 249.310 1.761 10 0 BDAERO CN(CC(C)(C)[NH3+])c1nccc(C(F)(F)F)n1 ZINC000656608026 411307367 /nfs/dbraw/zinc/30/73/67/411307367.db2.gz CEPSNOLGZSFWMX-UHFFFAOYSA-N 1 0 248.252 1.669 10 0 BDAERO CC[N@H+](C[C@H](O)C(C)(C)C)[C@H]1CCCOC1 ZINC000402677041 411307618 /nfs/dbraw/zinc/30/76/18/411307618.db2.gz FTXQKIMEGWMMHT-RYUDHWBXSA-N 1 0 229.364 1.894 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccc(O)c1 ZINC000658241794 411307681 /nfs/dbraw/zinc/30/76/81/411307681.db2.gz GEJAOYXHGLQKID-GHMZBOCLSA-N 1 0 248.326 1.521 10 0 BDAERO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658246415 411311236 /nfs/dbraw/zinc/31/12/36/411311236.db2.gz ZGLJSSISQBAKHX-IJLUTSLNSA-N 1 0 224.348 1.633 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C(C)C ZINC000658246424 411311399 /nfs/dbraw/zinc/31/13/99/411311399.db2.gz ZHSATMSMSLIAJY-QWRGUYRKSA-N 1 0 212.337 1.489 10 0 BDAERO CC1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000656692219 411331487 /nfs/dbraw/zinc/33/14/87/411331487.db2.gz NYMCAOVKTBUOEA-UHFFFAOYSA-N 1 0 229.389 1.976 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1[NH3+] ZINC000402853764 411319415 /nfs/dbraw/zinc/31/94/15/411319415.db2.gz CIDIYHUYBUYMAV-LBELIVKGSA-N 1 0 234.343 1.394 10 0 BDAERO CC1(C)[C@H]([NH2+]Cc2ncccn2)[C@H]2CCO[C@H]21 ZINC000658278311 411319972 /nfs/dbraw/zinc/31/99/72/411319972.db2.gz CVGHYUVWNRDDEE-YUSALJHKSA-N 1 0 233.315 1.380 10 0 BDAERO CCC[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000660132765 411250872 /nfs/dbraw/zinc/25/08/72/411250872.db2.gz KPLGDFIXRDNKFV-QJPTWQEYSA-N 1 0 213.321 1.401 10 0 BDAERO CCC[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000660132564 411250991 /nfs/dbraw/zinc/25/09/91/411250991.db2.gz KPLGDFIXRDNKFV-IJLUTSLNSA-N 1 0 213.321 1.401 10 0 BDAERO C[NH+](C)CC1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000394660743 411254353 /nfs/dbraw/zinc/25/43/53/411254353.db2.gz KPSBVULJZRVGLS-ZSBIGDGJSA-N 1 0 222.332 1.053 10 0 BDAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccccn1 ZINC000658352908 411356282 /nfs/dbraw/zinc/35/62/82/411356282.db2.gz BVXSTIHOIPGHEV-KPPDAEKUSA-N 1 0 206.289 1.503 10 0 BDAERO Nc1[nH+]ccn1-c1ncccc1Br ZINC000575565287 411361810 /nfs/dbraw/zinc/36/18/10/411361810.db2.gz NMUALQUEJRDSCP-UHFFFAOYSA-N 1 0 239.076 1.612 10 0 BDAERO CCC(C)(C)[C@@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000659340351 411367821 /nfs/dbraw/zinc/36/78/21/411367821.db2.gz STVISAUQNNKSEV-ZJUUUORDSA-N 1 0 212.337 1.537 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)[C@@H](C)CO1 ZINC000403942646 411369504 /nfs/dbraw/zinc/36/95/04/411369504.db2.gz JTRFHIWDHHBFFQ-QJPTWQEYSA-N 1 0 242.363 1.386 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403180961 411333600 /nfs/dbraw/zinc/33/36/00/411333600.db2.gz PLMRFAWRBRXNFP-NWBUJAPZSA-N 1 0 236.359 1.666 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCO[C@@H]1CC1(F)F ZINC000656708055 411334747 /nfs/dbraw/zinc/33/47/47/411334747.db2.gz JOUSVNDEGHMEAT-RKDXNWHRSA-N 1 0 237.290 1.407 10 0 BDAERO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000658332492 411340278 /nfs/dbraw/zinc/34/02/78/411340278.db2.gz RBSZPBKOAOPSRD-YHMTXAQFSA-N 1 0 225.332 1.567 10 0 BDAERO CC1(C)[C@H]([NH2+]CCN2CCC2)[C@@H]2CCO[C@H]21 ZINC000336746516 168005076 /nfs/dbraw/zinc/00/50/76/168005076.db2.gz RKJXNLVQKKASJW-QJPTWQEYSA-N 1 0 224.348 1.095 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2CCCOC2)[C@H]2CCO[C@H]21 ZINC000367889337 168006640 /nfs/dbraw/zinc/00/66/40/168006640.db2.gz ZFSUTOZJDHQIPE-IRCOFANPSA-N 1 0 225.332 1.569 10 0 BDAERO O=C(NC[C@@H]1Cc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000062114212 411346421 /nfs/dbraw/zinc/34/64/21/411346421.db2.gz PRKFQJRPWKLYAY-NEPJUHHUSA-N 1 0 230.311 1.052 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2(C)OCCO2)[C@@H]2CCO[C@@H]21 ZINC000365827099 168045507 /nfs/dbraw/zinc/04/55/07/168045507.db2.gz RVHMLTPVEBRNPN-AXFHLTTASA-N 1 0 241.331 1.153 10 0 BDAERO CC1(C[C@@H]([NH3+])c2cccs2)OCCO1 ZINC000041227044 168051633 /nfs/dbraw/zinc/05/16/33/168051633.db2.gz QHDZEESUIDSTKE-MRVPVSSYSA-N 1 0 213.302 1.901 10 0 BDAERO CC1([NH2+]CC(=O)N2CCCC2)CCCC1 ZINC000042187287 168062594 /nfs/dbraw/zinc/06/25/94/168062594.db2.gz CCZSMLIFICHZIS-UHFFFAOYSA-N 1 0 210.321 1.531 10 0 BDAERO CC1(O)CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000088022878 168066586 /nfs/dbraw/zinc/06/65/86/168066586.db2.gz DCPFCSWHJGORNI-WDEREUQCSA-N 1 0 213.321 1.137 10 0 BDAERO CC1(C[N@@H+]2CC[C@H]3OCCN[C@@H]3C2)CCC1 ZINC000404193782 411381378 /nfs/dbraw/zinc/38/13/78/411381378.db2.gz IIBOUAXATFJMKB-VXGBXAGGSA-N 1 0 224.348 1.239 10 0 BDAERO CC1CC(=O)N([C@@H]2CCCCC[C@@H]2[NH3+])C(=O)C1 ZINC000063214989 168139547 /nfs/dbraw/zinc/13/95/47/168139547.db2.gz KJXOORMHYCYULA-WDEREUQCSA-N 1 0 238.331 1.432 10 0 BDAERO CC1CCC(C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000122128932 168149513 /nfs/dbraw/zinc/14/95/13/168149513.db2.gz VXDUNHAMIMIIFH-VQXHTEKXSA-N 1 0 210.321 1.372 10 0 BDAERO CC1CCC(C[NH3+])(N(C)Cc2ncccn2)CC1 ZINC000054458681 168152973 /nfs/dbraw/zinc/15/29/73/168152973.db2.gz SGDWTDJBALIBLZ-UHFFFAOYSA-N 1 0 248.374 1.816 10 0 BDAERO CC1CCC(CO)([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000053118542 168156121 /nfs/dbraw/zinc/15/61/21/168156121.db2.gz JWHCBFDINJYDSV-ZFQMDJOTSA-N 1 0 227.348 1.431 10 0 BDAERO CC1CCC(CO)([NH2+][C@@H]2CCC[C@@H]2O)CC1 ZINC000053118539 168156596 /nfs/dbraw/zinc/15/65/96/168156596.db2.gz JWHCBFDINJYDSV-QBHFIFKDSA-N 1 0 227.348 1.431 10 0 BDAERO C[C@]1(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1(F)F ZINC000659361037 411376612 /nfs/dbraw/zinc/37/66/12/411376612.db2.gz HVQVETKQFJMVFU-ATZCPNFKSA-N 1 0 246.301 1.665 10 0 BDAERO C[C@]1(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1(F)F ZINC000659361054 411376622 /nfs/dbraw/zinc/37/66/22/411376622.db2.gz HVQVETKQFJMVFU-WCABBAIRSA-N 1 0 246.301 1.665 10 0 BDAERO CC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000336446279 168189982 /nfs/dbraw/zinc/18/99/82/168189982.db2.gz FEQGLGHDFSYYEP-QWRGUYRKSA-N 1 0 210.321 1.195 10 0 BDAERO CCC(=O)N(CCC[NH3+])c1ccccc1F ZINC000020232917 168213802 /nfs/dbraw/zinc/21/38/02/168213802.db2.gz BBNZNYZGJXGRQO-UHFFFAOYSA-N 1 0 224.279 1.918 10 0 BDAERO C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC[C@@H](O)C1 ZINC000659919249 411382528 /nfs/dbraw/zinc/38/25/28/411382528.db2.gz BHLNLPJQSVZAMV-ZYHUDNBSSA-N 1 0 223.320 1.393 10 0 BDAERO CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052554676 168235754 /nfs/dbraw/zinc/23/57/54/168235754.db2.gz SFQYXVJPIHDNMP-LBPRGKRZSA-N 1 0 220.316 1.816 10 0 BDAERO CC1CCC(C[NH2+]CC[C@@]2(O)CCOC2)CC1 ZINC000404226537 411384456 /nfs/dbraw/zinc/38/44/56/411384456.db2.gz LPKIFURNOMUECX-JXQTWKCFSA-N 1 0 241.375 1.944 10 0 BDAERO CCC(C)(C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116789128 168263424 /nfs/dbraw/zinc/26/34/24/168263424.db2.gz IKILQOKUPVDRLK-NSHDSACASA-N 1 0 242.363 1.212 10 0 BDAERO CCC(C)(C)[NH2+][C@H]1CC(=O)N(C2CC2)C1=O ZINC000036850849 168302885 /nfs/dbraw/zinc/30/28/85/168302885.db2.gz OSAOFHBLMJNANJ-VIFPVBQESA-N 1 0 224.304 1.055 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1 ZINC000126859212 411459870 /nfs/dbraw/zinc/45/98/70/411459870.db2.gz DBENCVYSUFTBSA-LLVKDONJSA-N 1 0 206.289 1.999 10 0 BDAERO CC[C@@H](C)CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000659341341 411400169 /nfs/dbraw/zinc/40/01/69/411400169.db2.gz VJTUZXVBNXSJQL-IJLUTSLNSA-N 1 0 226.364 1.927 10 0 BDAERO CCc1cc(CC)nc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000336696095 411401892 /nfs/dbraw/zinc/40/18/92/411401892.db2.gz IZZPJISJGJTTCJ-GFCCVEGCSA-N 1 0 236.363 1.419 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCC1=CCCC1 ZINC000659379760 411406767 /nfs/dbraw/zinc/40/67/67/411406767.db2.gz NZWBDEUMLAFHMT-LBPRGKRZSA-N 1 0 222.332 1.603 10 0 BDAERO CC(C)CC1(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000659382733 411407887 /nfs/dbraw/zinc/40/78/87/411407887.db2.gz OICJSIPFCKFFRQ-MNOVXSKESA-N 1 0 224.348 1.809 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405057944 411415524 /nfs/dbraw/zinc/41/55/24/411415524.db2.gz OPZOVNASUODENV-SECBINFHSA-N 1 0 246.301 1.762 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCCC(F)(F)C1 ZINC000405141302 411418863 /nfs/dbraw/zinc/41/88/63/411418863.db2.gz XXJSOKUYYVZQIT-MRVPVSSYSA-N 1 0 220.263 1.372 10 0 BDAERO CC[C@H]1CN(Cc2cnn(C)c2C)CC[C@@H]1[NH3+] ZINC000122375703 411431614 /nfs/dbraw/zinc/43/16/14/411431614.db2.gz GVGMREXICPWOLX-AAEUAGOBSA-N 1 0 236.363 1.288 10 0 BDAERO CC1CCC(CN2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000122550036 411432565 /nfs/dbraw/zinc/43/25/65/411432565.db2.gz GLBJXAUJMUREMC-RUXDESIVSA-N 1 0 239.407 1.387 10 0 BDAERO Cc1cc(C(C)C)nc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000122686793 411435551 /nfs/dbraw/zinc/43/55/51/411435551.db2.gz RWPXFHPRSJCUKE-NSHDSACASA-N 1 0 234.347 1.707 10 0 BDAERO CC[C@H]1CN(c2ccnc(C)n2)CC[C@@H]1[NH3+] ZINC000122923595 411436975 /nfs/dbraw/zinc/43/69/75/411436975.db2.gz KIQCTMDKZCHJAD-QWRGUYRKSA-N 1 0 220.320 1.349 10 0 BDAERO c1nc2n(c1CNCc1ccccn1)CCC2 ZINC000657286346 411445429 /nfs/dbraw/zinc/44/54/29/411445429.db2.gz OUIYIEIAJJFRNS-UHFFFAOYSA-N 1 0 228.299 1.514 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCS[C@@H](C)C1 ZINC000123339360 411449401 /nfs/dbraw/zinc/44/94/01/411449401.db2.gz ILEJCLYAWDZZNL-UWVGGRQHSA-N 1 0 230.377 1.324 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(C)o1 ZINC000053038656 411474964 /nfs/dbraw/zinc/47/49/64/411474964.db2.gz XQFVDEGSGHLKRW-SNVBAGLBSA-N 1 0 210.277 1.332 10 0 BDAERO Cc1ncc(C[NH2+]C[C@H](O)C(C)(C)C)n1C ZINC000657358750 411475727 /nfs/dbraw/zinc/47/57/27/411475727.db2.gz GSXMOSUBJMXZIG-NSHDSACASA-N 1 0 225.336 1.225 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407288431 411476941 /nfs/dbraw/zinc/47/69/41/411476941.db2.gz XBTSGLWDKACXNF-XQHKEYJVSA-N 1 0 236.359 1.822 10 0 BDAERO C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000309477033 411497228 /nfs/dbraw/zinc/49/72/28/411497228.db2.gz SFMRZLSZWBXUTH-ZYHUDNBSSA-N 1 0 224.348 1.681 10 0 BDAERO CCN(C(=O)C[C@H]([NH3+])C(C)C)C1CCC1 ZINC000309473500 411497632 /nfs/dbraw/zinc/49/76/32/411497632.db2.gz RJSNFQGCVMILDX-NSHDSACASA-N 1 0 212.337 1.761 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657495026 411534208 /nfs/dbraw/zinc/53/42/08/411534208.db2.gz GHUDDNZTUQTPCE-NSHDSACASA-N 1 0 234.347 1.013 10 0 BDAERO CCCC[N@@H+]1CCN2C(=O)N(CC)CC[C@H]2C1 ZINC000005552103 411503388 /nfs/dbraw/zinc/50/33/88/411503388.db2.gz JAGPBNNSJVVVQK-LBPRGKRZSA-N 1 0 239.363 1.618 10 0 BDAERO Cc1c(C[NH2+]C2(C)CC=CC2)cnn1C ZINC000655814381 411523989 /nfs/dbraw/zinc/52/39/89/411523989.db2.gz MIEDYVRQMFPVPZ-UHFFFAOYSA-N 1 0 205.305 1.927 10 0 BDAERO COCC1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000655816637 411527960 /nfs/dbraw/zinc/52/79/60/411527960.db2.gz BMUJIJRHSJGFCU-UTUOFQBUSA-N 1 0 239.359 1.816 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC)C2)CO1 ZINC000657324521 411465377 /nfs/dbraw/zinc/46/53/77/411465377.db2.gz CFYCEUBLATVPTF-RWMBFGLXSA-N 1 0 226.364 1.628 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(O)cc2)C1 ZINC000037644942 170007380 /nfs/dbraw/zinc/00/73/80/170007380.db2.gz BBNCIFWNIOCBQX-NSHDSACASA-N 1 0 248.326 1.464 10 0 BDAERO CN(C[C@H]1CCCO1)C(=O)CCC(C)(C)[NH3+] ZINC000069634017 411466353 /nfs/dbraw/zinc/46/63/53/411466353.db2.gz VWTLBCDTUQIECZ-SNVBAGLBSA-N 1 0 228.336 1.141 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2ccncn2)C1 ZINC000040863167 170009906 /nfs/dbraw/zinc/00/99/06/170009906.db2.gz XVCBZDUEXOGMOR-JTQLQIEISA-N 1 0 206.293 1.230 10 0 BDAERO CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000657327596 411466469 /nfs/dbraw/zinc/46/64/69/411466469.db2.gz WTAWSHMUISPIOW-VXGBXAGGSA-N 1 0 237.347 1.857 10 0 BDAERO CCN1CC[C@@H]([NH2+]CC(C)(C)COC)C1 ZINC000328388636 170012615 /nfs/dbraw/zinc/01/26/15/170012615.db2.gz XFHSOMTVBPREON-LLVKDONJSA-N 1 0 214.353 1.343 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2)C1 ZINC000334576720 170020853 /nfs/dbraw/zinc/02/08/53/170020853.db2.gz BQWIHNMESKQBDT-NSHDSACASA-N 1 0 234.299 1.216 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000306301750 170021956 /nfs/dbraw/zinc/02/19/56/170021956.db2.gz IOHOGNDIHPDRDI-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO CC[N@@H+]1CCc2ncc(N)nc2[C@H](C)C1 ZINC000039101079 170025759 /nfs/dbraw/zinc/02/57/59/170025759.db2.gz OJIBEYDNQZNYJA-MRVPVSSYSA-N 1 0 206.293 1.040 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2nccs2)C1 ZINC000309066962 170029216 /nfs/dbraw/zinc/02/92/16/170029216.db2.gz ZZIMZIQGSCZNDQ-ZJUUUORDSA-N 1 0 225.361 1.573 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]CC2(SC)CC2)C1 ZINC000336760138 170029337 /nfs/dbraw/zinc/02/93/37/170029337.db2.gz LMWXYLYVYIWLNU-MNOVXSKESA-N 1 0 228.405 1.812 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]C2CCSCC2)C1 ZINC000336773370 170031337 /nfs/dbraw/zinc/03/13/37/170031337.db2.gz YOVWBIYHLOKCJX-ZYHUDNBSSA-N 1 0 228.405 1.812 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2nccs2)C1 ZINC000309066959 170031522 /nfs/dbraw/zinc/03/15/22/170031522.db2.gz ZZIMZIQGSCZNDQ-NXEZZACHSA-N 1 0 225.361 1.573 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000309474490 170037941 /nfs/dbraw/zinc/03/79/41/170037941.db2.gz RKGYLUVFUVFBGH-JOYOIKCWSA-N 1 0 222.336 1.148 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@H](OC)C2CC2)C1 ZINC000339526791 170039009 /nfs/dbraw/zinc/03/90/09/170039009.db2.gz FDKYGFORJRDZEL-UHTWSYAYSA-N 1 0 226.364 1.341 10 0 BDAERO CCN1c2ccccc2C[C@]1(C)C1=[NH+]CCN1 ZINC000028016775 170041447 /nfs/dbraw/zinc/04/14/47/170041447.db2.gz PVTNKNIFQFYWPI-CQSZACIVSA-N 1 0 229.327 1.829 10 0 BDAERO CCNC(=[NH2+])N[C@@H](C)CCc1ccco1 ZINC000052044799 170041507 /nfs/dbraw/zinc/04/15/07/170041507.db2.gz RKHYVUXHFRKYPF-VIFPVBQESA-N 1 0 209.293 1.735 10 0 BDAERO CCNC(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116293797 170052160 /nfs/dbraw/zinc/05/21/60/170052160.db2.gz CSXVWLULJJVTOG-NSHDSACASA-N 1 0 236.315 1.943 10 0 BDAERO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000657524556 411542162 /nfs/dbraw/zinc/54/21/62/411542162.db2.gz SVQLAJJQAZAYEC-MVWJERBFSA-N 1 0 222.332 1.457 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccncc1 ZINC000076610764 170053194 /nfs/dbraw/zinc/05/31/94/170053194.db2.gz BWLAZCIJJIOGTC-NSHDSACASA-N 1 0 221.304 1.040 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccccc1 ZINC000076610314 170053197 /nfs/dbraw/zinc/05/31/97/170053197.db2.gz NLWBYVCIHZNZKJ-LBPRGKRZSA-N 1 0 220.316 1.645 10 0 BDAERO CCNC(=O)CC[NH2+]Cc1cc(F)ccc1F ZINC000104276877 170053348 /nfs/dbraw/zinc/05/33/48/170053348.db2.gz SFSMCZCWPDKDSF-UHFFFAOYSA-N 1 0 242.269 1.581 10 0 BDAERO CCNC(=O)CN(C)[C@H](C[NH3+])c1ccccc1C ZINC000043036671 170055017 /nfs/dbraw/zinc/05/50/17/170055017.db2.gz WQWUFWDJFSTHOM-CYBMUJFWSA-N 1 0 249.358 1.063 10 0 BDAERO CCNC(=O)C[NH2+]Cc1ccccc1COC ZINC000037763043 170065004 /nfs/dbraw/zinc/06/50/04/170065004.db2.gz FEZKXJMBQCKJTQ-UHFFFAOYSA-N 1 0 236.315 1.059 10 0 BDAERO CCNC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000035138571 170065349 /nfs/dbraw/zinc/06/53/49/170065349.db2.gz UQCCEPXTQIRGIO-MRVPVSSYSA-N 1 0 212.318 1.535 10 0 BDAERO CCNC(=O)C[NH2+][C@H]1CCOc2ccccc21 ZINC000035141839 170066109 /nfs/dbraw/zinc/06/61/09/170066109.db2.gz ZGDSKUFMZRTAHR-NSHDSACASA-N 1 0 234.299 1.236 10 0 BDAERO CCNC(=O)COc1ccc(C[C@H](C)[NH3+])cc1 ZINC000037723599 170067722 /nfs/dbraw/zinc/06/77/22/170067722.db2.gz NBOGPDSHDUGVPZ-JTQLQIEISA-N 1 0 236.315 1.091 10 0 BDAERO CCNC(=O)COc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745861 170067843 /nfs/dbraw/zinc/06/78/43/170067843.db2.gz XDOORVAPMWOLHN-QMMMGPOBSA-N 1 0 240.278 1.360 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC000035140908 170088460 /nfs/dbraw/zinc/08/84/60/170088460.db2.gz WTBBWYSXZMCAQJ-SNVBAGLBSA-N 1 0 238.306 1.482 10 0 BDAERO CCNC(=O)[C@@H](C[NH3+])Cc1ccc(CC)cc1 ZINC000050303969 170090131 /nfs/dbraw/zinc/09/01/31/170090131.db2.gz HJOZYYRFQRKDTL-CYBMUJFWSA-N 1 0 234.343 1.503 10 0 BDAERO CCNC(=O)[C@H](C)n1c(C)[nH+]c2cc(N)ccc21 ZINC000052855451 170097431 /nfs/dbraw/zinc/09/74/31/170097431.db2.gz OIKTXXAFGVOGQK-QMMMGPOBSA-N 1 0 246.314 1.624 10 0 BDAERO CCNC(=O)[C@H](C[NH3+])Cc1cccc(F)c1F ZINC000104244745 170097758 /nfs/dbraw/zinc/09/77/58/170097758.db2.gz PNNBETJUNVSDDC-VIFPVBQESA-N 1 0 242.269 1.218 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000061278533 170107068 /nfs/dbraw/zinc/10/70/68/170107068.db2.gz NNRISWBZPKYZRM-AOOOYVTPSA-N 1 0 228.336 1.010 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)NCc1ncccc1C ZINC000071344786 170107921 /nfs/dbraw/zinc/10/79/21/170107921.db2.gz AIWIPVONXAXHKG-UHFFFAOYSA-N 1 0 235.331 1.394 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1cccc(O)c1 ZINC000061298149 170107954 /nfs/dbraw/zinc/10/79/54/170107954.db2.gz FKMPBAZKBPELIS-UHFFFAOYSA-N 1 0 222.288 1.719 10 0 BDAERO CC[NH2+]C1(c2nccs2)CCOCC1 ZINC000041060986 170108770 /nfs/dbraw/zinc/10/87/70/170108770.db2.gz LJGJQWLEJBWBDT-UHFFFAOYSA-N 1 0 212.318 1.758 10 0 BDAERO CC[NH2+]CCC(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000061299424 170111865 /nfs/dbraw/zinc/11/18/65/170111865.db2.gz UHJYASFGTUTWIO-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]CCC(=O)c1ccc2c(c1)OCCO2 ZINC000049827213 170112028 /nfs/dbraw/zinc/11/20/28/170112028.db2.gz CLPNFVRZZKPBJB-UHFFFAOYSA-N 1 0 235.283 1.640 10 0 BDAERO CC[NH2+]CCN1C[C@@H](C)OC(C)(C)C1 ZINC000045685435 170113706 /nfs/dbraw/zinc/11/37/06/170113706.db2.gz DOBIQKNBWRPNKU-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000020525447 170113067 /nfs/dbraw/zinc/11/30/67/170113067.db2.gz LIFJJAJQLLVDAB-UHFFFAOYSA-N 1 0 223.272 1.794 10 0 BDAERO CC[NH2+]CCNC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000132632340 170113500 /nfs/dbraw/zinc/11/35/00/170113500.db2.gz SZMMIJRPCFKINY-ZACCUICWSA-N 1 0 210.321 1.148 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](C)C1 ZINC000061227105 170118361 /nfs/dbraw/zinc/11/83/61/170118361.db2.gz YEOICWPNCGUHBN-GHMZBOCLSA-N 1 0 212.337 1.491 10 0 BDAERO CC[NH2+]CCn1cnc2ccsc2c1=O ZINC000042410349 170118440 /nfs/dbraw/zinc/11/84/40/170118440.db2.gz JYILBQASZNAPKJ-UHFFFAOYSA-N 1 0 223.301 1.068 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cc(C)ccc1Cl ZINC000032101466 170118906 /nfs/dbraw/zinc/11/89/06/170118906.db2.gz PUPNDBVRKOHTTF-SNVBAGLBSA-N 1 0 243.734 1.998 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1cc(OC)ccc1OC ZINC000033468698 170120731 /nfs/dbraw/zinc/12/07/31/170120731.db2.gz WNXOZTCPOJYOFT-CYBMUJFWSA-N 1 0 239.315 1.521 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1ccoc1C ZINC000061267646 170120820 /nfs/dbraw/zinc/12/08/20/170120820.db2.gz ZAUFDTLTBKAUSI-JTQLQIEISA-N 1 0 238.331 1.792 10 0 BDAERO CC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1O ZINC000095091546 170121134 /nfs/dbraw/zinc/12/11/34/170121134.db2.gz KRFQBCLKCBRFQB-CABCVRRESA-N 1 0 248.370 1.479 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1C[C@H](C)OC[C@H]1CC ZINC000061229926 170121782 /nfs/dbraw/zinc/12/17/82/170121782.db2.gz WDWCANUZEQJKAM-SDDRHHMPSA-N 1 0 242.363 1.258 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1ccc(OCC)cc1 ZINC000032014607 170123569 /nfs/dbraw/zinc/12/35/69/170123569.db2.gz IWVMKMOECRFNIO-ZDUSSCGKSA-N 1 0 223.316 1.902 10 0 BDAERO CC[NH2+]Cc1c(C)nn(C)c1-n1nc(C)cc1C ZINC000034825270 170124447 /nfs/dbraw/zinc/12/44/47/170124447.db2.gz XCTCURCZCAUQOS-UHFFFAOYSA-N 1 0 247.346 1.641 10 0 BDAERO CC[NH2+]Cc1c(C)nc(N2CCCC2)nc1C ZINC000054854161 170124792 /nfs/dbraw/zinc/12/47/92/170124792.db2.gz DKACGQJHQJMHEE-UHFFFAOYSA-N 1 0 234.347 1.803 10 0 BDAERO CC[NH2+]Cc1cc(C)nc(-c2ccccn2)n1 ZINC000054831120 170124992 /nfs/dbraw/zinc/12/49/92/170124992.db2.gz AEBYRYIEXJIVSM-UHFFFAOYSA-N 1 0 228.299 1.957 10 0 BDAERO CC[NH2+]Cc1cnc(-c2cnccn2)s1 ZINC000040996645 170129537 /nfs/dbraw/zinc/12/95/37/170129537.db2.gz LDHWIUWYIBXNFD-UHFFFAOYSA-N 1 0 220.301 1.710 10 0 BDAERO CC[NH2+]Cc1cnc(-c2ccccn2)nc1 ZINC000054855645 170129620 /nfs/dbraw/zinc/12/96/20/170129620.db2.gz ATTIWHFNVGGDTE-UHFFFAOYSA-N 1 0 214.272 1.648 10 0 BDAERO CC[NH2+]Cc1cnc(N2CCO[C@@H](C)C2)s1 ZINC000054900776 170129928 /nfs/dbraw/zinc/12/99/28/170129928.db2.gz VVEKSKYXVGUROY-VIFPVBQESA-N 1 0 241.360 1.478 10 0 BDAERO CC[NH2+]Cc1csc(N2CCOCC2)n1 ZINC000062214935 170130060 /nfs/dbraw/zinc/13/00/60/170130060.db2.gz YDFQCDDGSWDQCE-UHFFFAOYSA-N 1 0 227.333 1.089 10 0 BDAERO CC[NH2+]Cc1cnn(-c2ccccn2)c1C ZINC000042355586 170131030 /nfs/dbraw/zinc/13/10/30/170131030.db2.gz ICIFKDZRONCIOW-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1nnnn1C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104237857 170131166 /nfs/dbraw/zinc/13/11/66/170131166.db2.gz OALODSPTWGPDHJ-HBNTYKKESA-N 1 0 235.335 1.219 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000054745853 170131791 /nfs/dbraw/zinc/13/17/91/170131791.db2.gz OAVAZFWNRZKEKL-GARJFASQSA-N 1 0 237.351 1.780 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H](C)Cc1ccccc1 ZINC000062191657 170132026 /nfs/dbraw/zinc/13/20/26/170132026.db2.gz MJWFRKBUEIKJTF-LLVKDONJSA-N 1 0 245.330 1.586 10 0 BDAERO CC[NH2+]Cc1sc(CS(C)(=O)=O)nc1C ZINC000052789467 170132803 /nfs/dbraw/zinc/13/28/03/170132803.db2.gz VQNCXFRHUVMBJL-UHFFFAOYSA-N 1 0 248.373 1.106 10 0 BDAERO CC[NH2+][C@@H](C)CCCn1c(C)nc(C)cc1=O ZINC000104266012 170138699 /nfs/dbraw/zinc/13/86/99/170138699.db2.gz QKKSWBPYYRTYPM-JTQLQIEISA-N 1 0 237.347 1.638 10 0 BDAERO CC[NH2+][C@@H](C)[C@H](C)c1nc(-c2cnccn2)no1 ZINC000104072820 170141273 /nfs/dbraw/zinc/14/12/73/170141273.db2.gz XVAYGWKHBXFTBR-IUCAKERBSA-N 1 0 247.302 1.628 10 0 BDAERO CC[NH2+][C@@H](C)c1ccccc1-n1cncn1 ZINC000034665243 170141507 /nfs/dbraw/zinc/14/15/07/170141507.db2.gz YTFSCLVCTARJTH-JTQLQIEISA-N 1 0 216.288 1.938 10 0 BDAERO CC[NH2+][C@@H](C)c1ccc2c(c1)oc(=O)n2C ZINC000051362241 170142277 /nfs/dbraw/zinc/14/22/77/170142277.db2.gz IDITVGLCXUTWTA-QMMMGPOBSA-N 1 0 220.272 1.802 10 0 BDAERO CC[NH2+][C@@H](C)c1nnc(-c2cccnc2OC)o1 ZINC000061446916 170142756 /nfs/dbraw/zinc/14/27/56/170142756.db2.gz QXLIZJVHVIEQSY-QMMMGPOBSA-N 1 0 248.286 1.811 10 0 BDAERO CC[NH2+][C@@H](C)c1nnc(-c2cn[nH]c2)o1 ZINC000062780074 170143289 /nfs/dbraw/zinc/14/32/89/170143289.db2.gz WKQSDFRDBZOMIA-LURJTMIESA-N 1 0 207.237 1.130 10 0 BDAERO CC[NH2+][C@@H](CC[N@H+](CC(C)C)C(C)C)C(=O)[O-] ZINC000062525334 170144783 /nfs/dbraw/zinc/14/47/83/170144783.db2.gz KKUOVDXEEZNAIG-LBPRGKRZSA-N 1 0 244.379 1.806 10 0 BDAERO CC[NH2+][C@@H](CCOCC1CCCCC1)C(N)=O ZINC000062596005 170145200 /nfs/dbraw/zinc/14/52/00/170145200.db2.gz WNHUCSZUDATAKE-LBPRGKRZSA-N 1 0 242.363 1.437 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCOCC1 ZINC000060720690 170150764 /nfs/dbraw/zinc/15/07/64/170150764.db2.gz OYPXHFVSDOOYBK-CHWSQXEVSA-N 1 0 226.364 1.487 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccc(C)o2)C1=O ZINC000053038441 170151458 /nfs/dbraw/zinc/15/14/58/170151458.db2.gz OLZAKJJYDGWTJH-LLVKDONJSA-N 1 0 222.288 1.298 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccccc2OC)C1=O ZINC000049647461 170151741 /nfs/dbraw/zinc/15/17/41/170151741.db2.gz KGTGTJXCMSNNAS-GFCCVEGCSA-N 1 0 248.326 1.406 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cnc(C)cn2)C[C@@H]1C ZINC000061321501 170151758 /nfs/dbraw/zinc/15/17/58/170151758.db2.gz DDOASAGWAPVUPQ-SMDDNHRTSA-N 1 0 248.374 1.605 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@H]1CN1CCOCC1 ZINC000053861140 170151940 /nfs/dbraw/zinc/15/19/40/170151940.db2.gz URSUVANIEPIYLJ-NWDGAFQWSA-N 1 0 212.337 1.097 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@H]1n1nc(C)nc1C ZINC000044035130 170152073 /nfs/dbraw/zinc/15/20/73/170152073.db2.gz JBALZZJZOSDFNO-GHMZBOCLSA-N 1 0 208.309 1.598 10 0 BDAERO CC[NH2+][C@@H]1CCN(CCc2ccncc2)C[C@@H]1C ZINC000049712957 170152179 /nfs/dbraw/zinc/15/21/79/170152179.db2.gz BXRPKCDARVXBJN-DZGCQCFKSA-N 1 0 247.386 1.944 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccccc2C)C1=O ZINC000049647941 170152743 /nfs/dbraw/zinc/15/27/43/170152743.db2.gz UDKACHLJHMBYEF-LLVKDONJSA-N 1 0 218.300 1.710 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@H]1n1nc(C)cc1C ZINC000043994738 170152824 /nfs/dbraw/zinc/15/28/24/170152824.db2.gz FGMGPSGEDORDFY-VXGBXAGGSA-N 1 0 223.320 1.439 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@@H]1n1ccnc1C ZINC000043993852 170152877 /nfs/dbraw/zinc/15/28/77/170152877.db2.gz XRBFWFZODTUCOE-MNOVXSKESA-N 1 0 209.293 1.131 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccccc2OCC)C1=O ZINC000049647477 170152902 /nfs/dbraw/zinc/15/29/02/170152902.db2.gz RBIJKJWYMWTWQD-LLVKDONJSA-N 1 0 248.326 1.800 10 0 BDAERO CC[NH2+][C@@H]1CC[S@](=O)c2c(OC)cccc21 ZINC000041031288 170153911 /nfs/dbraw/zinc/15/39/11/170153911.db2.gz ZBXMILHTVJCBRF-QLJPJBMISA-N 1 0 239.340 1.857 10 0 BDAERO CC[NH2+][C@@](C)(CCCCOC1CCC1)C(N)=O ZINC000050521741 170155182 /nfs/dbraw/zinc/15/51/82/170155182.db2.gz HSRDMNFCBWAHQO-ZDUSSCGKSA-N 1 0 242.363 1.579 10 0 BDAERO CCN[C@@H]1c2cccc(F)c2S(=O)(=O)[C@H]1C ZINC000043636550 170155246 /nfs/dbraw/zinc/15/52/46/170155246.db2.gz MMJABFWJTZIBJH-XVKPBYJWSA-N 1 0 243.303 1.652 10 0 BDAERO CC[NH2+][C@@]1(c2nc(C)cs2)CCN(C)C1 ZINC000061991845 170156307 /nfs/dbraw/zinc/15/63/07/170156307.db2.gz QBOBICYIEXKRMC-NSHDSACASA-N 1 0 225.361 1.592 10 0 BDAERO CC[NH2+][C@@]1(c2nccs2)CCN(C)C1 ZINC000061991841 170156522 /nfs/dbraw/zinc/15/65/22/170156522.db2.gz KLHBLDQMJOMXBC-JTQLQIEISA-N 1 0 211.334 1.283 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccncc1 ZINC000061269729 170157038 /nfs/dbraw/zinc/15/70/38/170157038.db2.gz UONXGTUTLQFXHD-LLVKDONJSA-N 1 0 235.331 1.428 10 0 BDAERO CC[NH2+][C@H](C)[C@@H]1COc2ccccc2O1 ZINC000002038435 170158610 /nfs/dbraw/zinc/15/86/10/170158610.db2.gz MPOPVYQHZMQKRJ-SKDRFNHKSA-N 1 0 207.273 1.824 10 0 BDAERO CC[NH2+][C@H](C)c1nnc(-c2cnoc2C)o1 ZINC000050618702 170159742 /nfs/dbraw/zinc/15/97/42/170159742.db2.gz INEBRVCPZTYSKS-ZCFIWIBFSA-N 1 0 222.248 1.704 10 0 BDAERO CCN[C@H](CC[N@H+](C)C1CCCC1)C(=O)OC ZINC000062446395 170161835 /nfs/dbraw/zinc/16/18/35/170161835.db2.gz AVAKDDZTTJZMMD-GFCCVEGCSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+][C@H]1CCCCCC[C@@H]1S(C)(=O)=O ZINC000054930367 170165869 /nfs/dbraw/zinc/16/58/69/170165869.db2.gz XXJXTSLUYOEPFG-QWRGUYRKSA-N 1 0 233.377 1.732 10 0 BDAERO CC[NH2+][C@H]1CCCCC[C@H]1S(C)(=O)=O ZINC000054930361 170166058 /nfs/dbraw/zinc/16/60/58/170166058.db2.gz LFOLMFYYASNPKQ-VHSXEESVSA-N 1 0 219.350 1.342 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1n1nc(C)nc1C ZINC000044035134 170167156 /nfs/dbraw/zinc/16/71/56/170167156.db2.gz JBALZZJZOSDFNO-WDEREUQCSA-N 1 0 208.309 1.598 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cccc(COC)c2)C1=O ZINC000049649279 170167422 /nfs/dbraw/zinc/16/74/22/170167422.db2.gz XWTXCVBWKIEACD-ZDUSSCGKSA-N 1 0 248.326 1.548 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccncc2)C1 ZINC000037483664 170168135 /nfs/dbraw/zinc/16/81/35/170168135.db2.gz WADBAUNRUTZSPX-AAEUAGOBSA-N 1 0 219.332 1.826 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cc(C)ccc2OC)C1=O ZINC000049647346 170168261 /nfs/dbraw/zinc/16/82/61/170168261.db2.gz RTQDOLIYZSGZBE-NSHDSACASA-N 1 0 248.326 1.718 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cccc(C)c2)C1=O ZINC000049648854 170168278 /nfs/dbraw/zinc/16/82/78/170168278.db2.gz GKVKSQDIIUSUEY-ZDUSSCGKSA-N 1 0 232.327 1.705 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@@H]1n1cc(C)cn1 ZINC000043999574 170168880 /nfs/dbraw/zinc/16/88/80/170168880.db2.gz XZPWRBNRVBEGPY-QWRGUYRKSA-N 1 0 209.293 1.131 10 0 BDAERO CC[NH2+][C@](C)(CCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378302 170170175 /nfs/dbraw/zinc/17/01/75/170170175.db2.gz FOWGCIDXPUOQTO-CYBMUJFWSA-N 1 0 242.363 1.705 10 0 BDAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(F)c(F)c1 ZINC000096299013 170170230 /nfs/dbraw/zinc/17/02/30/170170230.db2.gz XVAGJBYCFSSGBF-NSHDSACASA-N 1 0 228.242 1.275 10 0 BDAERO CC[NH2+][C@](C)(C(N)=O)c1cccc(F)c1 ZINC000037447693 170170307 /nfs/dbraw/zinc/17/03/07/170170307.db2.gz KWZXWINAIQBHBE-NSHDSACASA-N 1 0 210.252 1.136 10 0 BDAERO CC[NH2+][C@]1(C(N)=O)CCc2ccccc2C1 ZINC000037870636 170170385 /nfs/dbraw/zinc/17/03/85/170170385.db2.gz AJMUNXMVROSIDD-CYBMUJFWSA-N 1 0 218.300 1.009 10 0 BDAERO CCNc1cc2c(nn1)CC[N@@H+](C(C)C)C2 ZINC000054931168 170172960 /nfs/dbraw/zinc/17/29/60/170172960.db2.gz UNVSUAXDSYLAJB-UHFFFAOYSA-N 1 0 220.320 1.675 10 0 BDAERO CCNc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040707477 170178403 /nfs/dbraw/zinc/17/84/03/170178403.db2.gz APWXWRHTGKEPRR-UHFFFAOYSA-N 1 0 224.312 1.206 10 0 BDAERO CCOC(=O)C1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000119402580 170192765 /nfs/dbraw/zinc/19/27/65/170192765.db2.gz JEHUOSVRRUKYPI-ZDUSSCGKSA-N 1 0 243.347 1.423 10 0 BDAERO CCOC(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000035735558 170210156 /nfs/dbraw/zinc/21/01/56/170210156.db2.gz LOBCQVNQEYKTIY-NXEZZACHSA-N 1 0 215.293 1.097 10 0 BDAERO CCOC(=O)CC[NH2+][C@H](C)CN1CCCCC1 ZINC000049501726 170210444 /nfs/dbraw/zinc/21/04/44/170210444.db2.gz CRYGQTOCDFPECB-GFCCVEGCSA-N 1 0 242.363 1.404 10 0 BDAERO CCOC(=O)COc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798636 170229463 /nfs/dbraw/zinc/22/94/63/170229463.db2.gz UPJPYQBRPKQRBM-NSHDSACASA-N 1 0 235.283 1.575 10 0 BDAERO CCOC(=O)N(CC[NH3+])Cc1ccco1 ZINC000253560056 170238764 /nfs/dbraw/zinc/23/87/64/170238764.db2.gz AIKVCJMJYBXGFT-UHFFFAOYSA-N 1 0 212.249 1.197 10 0 BDAERO CCOC(=O)[C@@H](N)CC[N@@H+]1CCC[C@@H](CC)C1 ZINC000062449812 170253067 /nfs/dbraw/zinc/25/30/67/170253067.db2.gz PNHBVGXUGFPEOG-NEPJUHHUSA-N 1 0 242.363 1.389 10 0 BDAERO CCOC(=O)[C@H](CC[N@H+](C)CCC(C)C)NC ZINC000062526065 170272671 /nfs/dbraw/zinc/27/26/71/170272671.db2.gz HLFAEQNFNWKGSN-LBPRGKRZSA-N 1 0 244.379 1.506 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@]1(C)c1ccccc1 ZINC000096032685 170281949 /nfs/dbraw/zinc/28/19/49/170281949.db2.gz ZZDBUIZTYKSKSH-OCCSQVGLSA-N 1 0 233.311 1.727 10 0 BDAERO C[C@]1(CO)CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000660277863 411564206 /nfs/dbraw/zinc/56/42/06/411564206.db2.gz RNDIVKQGLGKKCK-JHJVBQTASA-N 1 0 227.348 1.384 10 0 BDAERO CCOC(=O)c1cnc(C2CC[NH2+]CC2)nc1 ZINC000095642191 170301656 /nfs/dbraw/zinc/30/16/56/170301656.db2.gz BKXMJHHCTWXACP-UHFFFAOYSA-N 1 0 235.287 1.120 10 0 BDAERO CCOC(=O)c1cnc([C@H]2CCC[NH2+]2)nc1 ZINC000095757307 170302776 /nfs/dbraw/zinc/30/27/76/170302776.db2.gz CLMXMPGWAFNULH-SECBINFHSA-N 1 0 221.260 1.078 10 0 BDAERO CCOC(=O)c1csc([C@@H]([NH3+])CC)n1 ZINC000084149896 170305440 /nfs/dbraw/zinc/30/54/40/170305440.db2.gz TWZQOPGDFMJVDS-LURJTMIESA-N 1 0 214.290 1.730 10 0 BDAERO CCOC1CCN(c2ncc(C[NH3+])s2)CC1 ZINC000054896423 170332684 /nfs/dbraw/zinc/33/26/84/170332684.db2.gz FHJALYRKLIYVAA-UHFFFAOYSA-N 1 0 241.360 1.607 10 0 BDAERO CCOCC(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000035635230 170349319 /nfs/dbraw/zinc/34/93/19/170349319.db2.gz AIIUHFKKJAGKGW-SNVBAGLBSA-N 1 0 236.315 1.942 10 0 BDAERO CCOCCCC[NH2+]CCN1C[C@H]2CC[C@@H]1C2 ZINC000053432579 170369657 /nfs/dbraw/zinc/36/96/57/170369657.db2.gz KFEYMVPJPQJQPC-UONOGXRCSA-N 1 0 240.391 1.877 10 0 BDAERO CCOCCC[N@@H+]1C[C@@H](C)NC[C@@H]1C(C)C ZINC000083085238 170375441 /nfs/dbraw/zinc/37/54/41/170375441.db2.gz SWLHFSLFEOJLIT-CHWSQXEVSA-N 1 0 228.380 1.731 10 0 BDAERO CCOCCC[NH2+]C[C@H](C)N1CCOC[C@@H]1C ZINC000053490910 170380574 /nfs/dbraw/zinc/38/05/74/170380574.db2.gz BJQQEOFFBNGTIG-STQMWFEESA-N 1 0 244.379 1.112 10 0 BDAERO CCOCC[N@H+](CC)[C@H]1CCCC[C@@H]1O ZINC000082537491 170396059 /nfs/dbraw/zinc/39/60/59/170396059.db2.gz CIVNWXMFXQOASN-RYUDHWBXSA-N 1 0 215.337 1.648 10 0 BDAERO CCN1CC[C@H]([NH2+]C2(C3CCC3)CCC2)C1=O ZINC000660777694 411625592 /nfs/dbraw/zinc/62/55/92/411625592.db2.gz DCOIMPPGJNFWLQ-LBPRGKRZSA-N 1 0 236.359 1.920 10 0 BDAERO CCOCC[NH2+][C@@H](C)CC(C)(C)OC ZINC000036228202 170412390 /nfs/dbraw/zinc/41/23/90/170412390.db2.gz SIUVQLWFQNQNMQ-JTQLQIEISA-N 1 0 203.326 1.816 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CC1=CCCC1 ZINC000663364525 411637950 /nfs/dbraw/zinc/63/79/50/411637950.db2.gz RRIGZCCUIRGWKI-ZDUSSCGKSA-N 1 0 227.348 1.864 10 0 BDAERO CCOCC[C@@H]([NH3+])Cc1ccccc1OC ZINC000038129738 170426187 /nfs/dbraw/zinc/42/61/87/170426187.db2.gz ZCLQJIUEWDDTBP-GFCCVEGCSA-N 1 0 223.316 1.992 10 0 BDAERO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000657694232 411579118 /nfs/dbraw/zinc/57/91/18/411579118.db2.gz BFMRNBHSEONNPC-AGIUHOORSA-N 1 0 238.375 1.881 10 0 BDAERO CN1C[C@@H](C[NH2+]Cc2ccccc2F)CC1=O ZINC000657693364 411579668 /nfs/dbraw/zinc/57/96/68/411579668.db2.gz ARHPAWOMQGMSFF-SNVBAGLBSA-N 1 0 236.290 1.394 10 0 BDAERO CN1C[C@@H](C[NH2+]Cc2cccs2)CC1=O ZINC000657694652 411581048 /nfs/dbraw/zinc/58/10/48/411581048.db2.gz OLWXXNYCVYOVMM-SECBINFHSA-N 1 0 224.329 1.316 10 0 BDAERO CN1C[C@H](C[NH2+]Cc2ccc(F)cc2)CC1=O ZINC000657695280 411581062 /nfs/dbraw/zinc/58/10/62/411581062.db2.gz XGMPMSUEUMNJEG-NSHDSACASA-N 1 0 236.290 1.394 10 0 BDAERO Cc1ccsc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657695021 411581214 /nfs/dbraw/zinc/58/12/14/411581214.db2.gz SZHIMSQGNZXKIP-JTQLQIEISA-N 1 0 238.356 1.624 10 0 BDAERO Cc1nc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cs1 ZINC000657694667 411581459 /nfs/dbraw/zinc/58/14/59/411581459.db2.gz OQWWBYKJBRKYJI-SECBINFHSA-N 1 0 239.344 1.019 10 0 BDAERO CCc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)o1 ZINC000657697549 411581941 /nfs/dbraw/zinc/58/19/41/411581941.db2.gz PUDPWCUAANWEKM-JTQLQIEISA-N 1 0 236.315 1.410 10 0 BDAERO CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696985 411582076 /nfs/dbraw/zinc/58/20/76/411582076.db2.gz MJAZKFJIYAVFFP-MNOVXSKESA-N 1 0 212.337 1.489 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1CC=CC1 ZINC000660476828 411590484 /nfs/dbraw/zinc/59/04/84/411590484.db2.gz HLPVBJWABXMVMZ-GXSJLCMTSA-N 1 0 208.305 1.209 10 0 BDAERO COC[C@@H](C)[NH2+]C[C@@H](OC)C1CCC1 ZINC000660483213 411592085 /nfs/dbraw/zinc/59/20/85/411592085.db2.gz CGKMAFKTOVPABO-MWLCHTKSSA-N 1 0 201.310 1.426 10 0 BDAERO COc1c(C[NH2+]CC2=CCCC2)c(C)nn1C ZINC000657749241 411592400 /nfs/dbraw/zinc/59/24/00/411592400.db2.gz SFPQJLAVAVMICN-UHFFFAOYSA-N 1 0 235.331 1.937 10 0 BDAERO CCc1ccc(C[NH2+]C2CC(CO)C2)o1 ZINC000657813455 411603481 /nfs/dbraw/zinc/60/34/81/411603481.db2.gz YVFWJYDQHTYUGL-UHFFFAOYSA-N 1 0 209.289 1.703 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657832175 411609259 /nfs/dbraw/zinc/60/92/59/411609259.db2.gz IYQCERDUDADROP-RYUDHWBXSA-N 1 0 225.332 1.857 10 0 BDAERO CCOc1cccc([C@H](O)C(C)(C)[NH3+])c1 ZINC000019684247 170585562 /nfs/dbraw/zinc/58/55/62/170585562.db2.gz DNVZVWRXIGRNLH-NSHDSACASA-N 1 0 209.289 1.856 10 0 BDAERO CCSCC[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000129006175 170636482 /nfs/dbraw/zinc/63/64/82/170636482.db2.gz HBWMQEWSEGWVTI-UWVGGRQHSA-N 1 0 203.351 1.490 10 0 BDAERO CC[C@@H](C)C[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000036944062 170709145 /nfs/dbraw/zinc/70/91/45/170709145.db2.gz VHORKJKJXLOMHP-ZJUUUORDSA-N 1 0 219.350 1.199 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc2cc[nH]c2c1 ZINC000133605123 411859649 /nfs/dbraw/zinc/85/96/49/411859649.db2.gz AZOXQBMHASLLKU-SNVBAGLBSA-N 1 0 243.310 1.507 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1ccc(N)nc1 ZINC000616649584 411893371 /nfs/dbraw/zinc/89/33/71/411893371.db2.gz LWGSXYVFOUWLCP-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])c1nnc2ccc(C)nn21 ZINC000050194453 170779683 /nfs/dbraw/zinc/77/96/83/170779683.db2.gz VMBVIRTURJGMON-GMSGAONNSA-N 1 0 219.292 1.479 10 0 BDAERO OCC1(CO)CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000661947773 411918413 /nfs/dbraw/zinc/91/84/13/411918413.db2.gz DAYXQDCLZNRJOA-ZDUSSCGKSA-N 1 0 247.338 1.003 10 0 BDAERO CC[C@@H](CC[NH3+])C(=O)NCc1ccc(C)cc1 ZINC000076616409 170815997 /nfs/dbraw/zinc/81/59/97/170815997.db2.gz CNXRFSSYHGQUPI-ZDUSSCGKSA-N 1 0 234.343 1.986 10 0 BDAERO CC[C@@H](COC)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000096033775 170846274 /nfs/dbraw/zinc/84/62/74/170846274.db2.gz WIOXRCIWVZLGND-MXWKQRLJSA-N 1 0 215.337 1.957 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc2[nH]ccc2c1 ZINC000133649009 411882857 /nfs/dbraw/zinc/88/28/57/411882857.db2.gz JUALHFACQQWVOA-SNVBAGLBSA-N 1 0 243.310 1.507 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N(CC(F)(F)F)C(C)C ZINC000037813506 170861341 /nfs/dbraw/zinc/86/13/41/170861341.db2.gz SXWVFLBOPSCLPQ-SSDOTTSWSA-N 1 0 226.242 1.523 10 0 BDAERO CC[C@@H]([NH3+])Cn1cccc(Br)c1=O ZINC000057834890 170867152 /nfs/dbraw/zinc/86/71/52/170867152.db2.gz DIPWUGWJAYHVGU-SSDOTTSWSA-N 1 0 245.120 1.348 10 0 BDAERO CC[C@@H]([NH3+])[C@H](c1ccccc1F)n1cncn1 ZINC000043046087 170869189 /nfs/dbraw/zinc/86/91/89/170869189.db2.gz KDBVTCOIHCTDQA-NEPJUHHUSA-N 1 0 234.278 1.744 10 0 BDAERO CC[C@@H]([NH3+])c1ccc(OCC(=O)N(C)C)cc1 ZINC000022174271 170870102 /nfs/dbraw/zinc/87/01/02/170870102.db2.gz LKOTYWWDCUWHTF-GFCCVEGCSA-N 1 0 236.315 1.563 10 0 BDAERO CC[C@@H]([NH3+])c1nc(-c2cnn(C)c2)cs1 ZINC000044495436 170870580 /nfs/dbraw/zinc/87/05/80/170870580.db2.gz PPOQEGYJQSHFCF-MRVPVSSYSA-N 1 0 222.317 1.953 10 0 BDAERO c1nc2c(c(NC[C@H]3CC[NH2+]C3)n1)CCCC2 ZINC000133836506 411973607 /nfs/dbraw/zinc/97/36/07/411973607.db2.gz OYSQMODZUPJGJY-JTQLQIEISA-N 1 0 232.331 1.377 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)C1CC1 ZINC000123522257 170898566 /nfs/dbraw/zinc/89/85/66/170898566.db2.gz XRAYYBHMEJBSJK-DGCLKSJQSA-N 1 0 226.364 1.485 10 0 BDAERO Nc1ccc([C@H]2CCC[N@H+](CCO)CC2)cn1 ZINC000616628733 411960750 /nfs/dbraw/zinc/96/07/50/411960750.db2.gz QDUPOKVFCYAIRS-NSHDSACASA-N 1 0 235.331 1.226 10 0 BDAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC ZINC000042579204 170966845 /nfs/dbraw/zinc/96/68/45/170966845.db2.gz AMGXYLUQKKYTSS-AXFHLTTASA-N 1 0 212.337 1.679 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCn2ncnc21 ZINC000336728898 171044956 /nfs/dbraw/zinc/04/49/56/171044956.db2.gz HINGTJKSVXYOBA-VWYCJHECSA-N 1 0 220.320 1.891 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000036770495 171062979 /nfs/dbraw/zinc/06/29/79/171062979.db2.gz FTDHFJITODRVKR-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO CC[C@@H]1COCCN1C(=O)C1(C[NH3+])CCCC1 ZINC000044762934 171102398 /nfs/dbraw/zinc/10/23/98/171102398.db2.gz FJHRKPHIPQWRKQ-LLVKDONJSA-N 1 0 240.347 1.143 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccccn1 ZINC000082934927 171102831 /nfs/dbraw/zinc/10/28/31/171102831.db2.gz SFQGXKHLFRMNPD-DGCLKSJQSA-N 1 0 219.332 1.654 10 0 BDAERO CC[C@@H]1COCCN1Cc1ccoc1C[NH3+] ZINC000052481489 171105108 /nfs/dbraw/zinc/10/51/08/171105108.db2.gz KXPSUFXRHSNULA-LLVKDONJSA-N 1 0 224.304 1.349 10 0 BDAERO CC[C@@H]1COCCN1Cc1csc(C[NH3+])n1 ZINC000052481535 171106538 /nfs/dbraw/zinc/10/65/38/171106538.db2.gz XVZJNYGLEADQCT-SNVBAGLBSA-N 1 0 241.360 1.213 10 0 BDAERO CC[C@@H]1[C@@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000082350175 171158487 /nfs/dbraw/zinc/15/84/87/171158487.db2.gz YPOSNWBFXJHCPP-NXEZZACHSA-N 1 0 228.336 1.981 10 0 BDAERO CC[C@@](C)(C[NH3+])N(C)CCc1ccccn1 ZINC000019844005 171166103 /nfs/dbraw/zinc/16/61/03/171166103.db2.gz HEFUNTRVAHRWJK-ZDUSSCGKSA-N 1 0 221.348 1.683 10 0 BDAERO CC[C@@](C)(CO)C[N@H+](CCCOC)CCOC ZINC000051294715 171166224 /nfs/dbraw/zinc/16/62/24/171166224.db2.gz QKJALIIRGOSWJG-CYBMUJFWSA-N 1 0 247.379 1.380 10 0 BDAERO CC[C@@](C)(C[NH2+]C)CN(C)Cc1cnn(C)c1 ZINC000051257380 171167305 /nfs/dbraw/zinc/16/73/05/171167305.db2.gz ARGXEEIGXWKQSF-ZDUSSCGKSA-N 1 0 238.379 1.488 10 0 BDAERO CC[C@@]1(C(=O)N[C@@H](C)c2ccncc2)CCC[NH2+]1 ZINC000122361497 171196031 /nfs/dbraw/zinc/19/60/31/171196031.db2.gz GVNISOJOQBYNKB-FZMZJTMJSA-N 1 0 247.342 1.791 10 0 BDAERO CC[C@H](C)C(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000036233075 171256637 /nfs/dbraw/zinc/25/66/37/171256637.db2.gz JNRFYDRLXQPUSW-ZETCQYMHSA-N 1 0 239.344 1.773 10 0 BDAERO CC[C@H](C)C[N@H+](C)CC[C@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062447730 171272719 /nfs/dbraw/zinc/27/27/19/171272719.db2.gz IMHXRCMPEFSIRF-JQWIXIFHSA-N 1 0 242.363 1.560 10 0 BDAERO CC[C@H](C)[N@H+](C)[C@]1(CN)CCSC1 ZINC000037109827 171309543 /nfs/dbraw/zinc/30/95/43/171309543.db2.gz BTEILTHWXUKIGS-UWVGGRQHSA-N 1 0 202.367 1.551 10 0 BDAERO CC[C@H](C)[N@H+](CCOC)[C@@H](CN)[C@@H]1CCOC1 ZINC000042578509 171315063 /nfs/dbraw/zinc/31/50/63/171315063.db2.gz QQOJTOIZNFMEEO-XQQFMLRXSA-N 1 0 244.379 1.097 10 0 BDAERO CC[C@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000181124298 171317522 /nfs/dbraw/zinc/31/75/22/171317522.db2.gz PGCWQZXZNNKWQX-LBPRGKRZSA-N 1 0 234.347 1.787 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1OC ZINC000050373357 171332865 /nfs/dbraw/zinc/33/28/65/171332865.db2.gz FJWPRHCBWAZODM-QCNOEVLYSA-N 1 0 242.363 1.447 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1OC ZINC000050373359 171335016 /nfs/dbraw/zinc/33/50/16/171335016.db2.gz FJWPRHCBWAZODM-YFKTTZPYSA-N 1 0 242.363 1.447 10 0 BDAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(OC)cc1 ZINC000038065347 171348143 /nfs/dbraw/zinc/34/81/43/171348143.db2.gz LGBXKOVBLBFKQY-CABZTGNLSA-N 1 0 236.315 1.610 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(C)n1 ZINC000051576746 171371813 /nfs/dbraw/zinc/37/18/13/171371813.db2.gz FFXUQFPLHYHXBE-JOYOIKCWSA-N 1 0 235.331 1.380 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000019842525 171372276 /nfs/dbraw/zinc/37/22/76/171372276.db2.gz JQUVWIIXTIBXJC-WRWORJQWSA-N 1 0 247.298 1.262 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ncccc1C ZINC000077558647 171372646 /nfs/dbraw/zinc/37/26/46/171372646.db2.gz DTKZLMOAMDQJAF-WCBMZHEXSA-N 1 0 221.304 1.702 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045168804 171452009 /nfs/dbraw/zinc/45/20/09/171452009.db2.gz JOVJITOWHUMHFX-JOYOIKCWSA-N 1 0 239.363 1.941 10 0 BDAERO CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)N(C)OC ZINC000043027201 171487062 /nfs/dbraw/zinc/48/70/62/171487062.db2.gz IHKNSYQLHWKXMQ-QWHCGFSZSA-N 1 0 238.331 1.967 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000662396470 412145681 /nfs/dbraw/zinc/14/56/81/412145681.db2.gz CYKWUDMXMSUHRT-TUAOUCFPSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC(C)(C)F ZINC000662662380 412257517 /nfs/dbraw/zinc/25/75/17/412257517.db2.gz DROXJVJKOJEAMA-RKDXNWHRSA-N 1 0 218.316 1.614 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCc1ccoc1 ZINC000662662415 412261896 /nfs/dbraw/zinc/26/18/96/412261896.db2.gz FTCZVCYROSMKDH-GXSJLCMTSA-N 1 0 224.304 1.312 10 0 BDAERO CC[C@H](O)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009796 171575392 /nfs/dbraw/zinc/57/53/92/171575392.db2.gz WPFACQMHFMYIFT-NWDGAFQWSA-N 1 0 221.300 1.351 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@]1(C)CC1(C)C ZINC000662706301 412277574 /nfs/dbraw/zinc/27/75/74/412277574.db2.gz BQWGBXHMAOVOCZ-CABZTGNLSA-N 1 0 212.337 1.665 10 0 BDAERO CC(C)[C@H]([NH3+])CCNC(=O)C1CC(C)C1 ZINC000662729702 412282173 /nfs/dbraw/zinc/28/21/73/412282173.db2.gz UEQCGFHAPQZKTD-VQXHTEKXSA-N 1 0 212.337 1.522 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC3(CC3)C2)C[C@@H]1[NH3+] ZINC000662571935 412224747 /nfs/dbraw/zinc/22/47/47/412224747.db2.gz TXELHMYPJNIMJA-UTUOFQBUSA-N 1 0 236.359 1.762 10 0 BDAERO CC[C@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037915072 171617931 /nfs/dbraw/zinc/61/79/31/171617931.db2.gz JQVIRPITOFOCEY-MCIGGMRASA-N 1 0 224.348 1.905 10 0 BDAERO CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000082350211 171629664 /nfs/dbraw/zinc/62/96/64/171629664.db2.gz NRDKNHCJVIZZSP-VHSXEESVSA-N 1 0 228.336 1.981 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[C@@H](C)CC ZINC000662627629 412247087 /nfs/dbraw/zinc/24/70/87/412247087.db2.gz RJVNGAMWTQIKCN-HBNTYKKESA-N 1 0 214.353 1.912 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000336235963 171700812 /nfs/dbraw/zinc/70/08/12/171700812.db2.gz BEILJAFDTXAWJI-YPMHNXCESA-N 1 0 229.364 1.630 10 0 BDAERO CCc1c(C)nn(CCC[NH2+]CCOC)c1C ZINC000053541087 171741770 /nfs/dbraw/zinc/74/17/70/171741770.db2.gz KXHUTRRNPBKCLO-UHFFFAOYSA-N 1 0 239.363 1.688 10 0 BDAERO CCc1ccc(C(=O)CN2CCC([NH3+])CC2)cc1 ZINC000050158258 171783661 /nfs/dbraw/zinc/78/36/61/171783661.db2.gz UZUSFAITSHRPKD-UHFFFAOYSA-N 1 0 246.354 1.855 10 0 BDAERO CCCc1nccnc1N[C@H]1CCC[NH2+]C1 ZINC000663270254 412403609 /nfs/dbraw/zinc/40/36/09/412403609.db2.gz JCOJVEKLNXRPMX-JTQLQIEISA-N 1 0 220.320 1.593 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000663273218 412404160 /nfs/dbraw/zinc/40/41/60/412404160.db2.gz YCLZLHNERHWZEO-WDEREUQCSA-N 1 0 234.347 1.603 10 0 BDAERO CCCc1nccnc1N[C@H](C)[C@H](C)[NH3+] ZINC000663275265 412405340 /nfs/dbraw/zinc/40/53/40/412405340.db2.gz UJLKRFQVCATLCA-DTWKUNHWSA-N 1 0 208.309 1.577 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nccn2nc(C)cc12 ZINC000663279192 412408419 /nfs/dbraw/zinc/40/84/19/412408419.db2.gz PRGDDSVOHPWYAP-SECBINFHSA-N 1 0 219.292 1.058 10 0 BDAERO CCc1ccc(C[C@@H](O)C[NH2+]C2CC2)cc1 ZINC000071521615 171813918 /nfs/dbraw/zinc/81/39/18/171813918.db2.gz HNIKQACUZKZNKK-CQSZACIVSA-N 1 0 219.328 1.904 10 0 BDAERO CCc1ccc(OC)c(N(C)CC[NH2+]C)c1 ZINC000107287476 171825384 /nfs/dbraw/zinc/82/53/84/171825384.db2.gz HPNSZGKVONPKLM-UHFFFAOYSA-N 1 0 222.332 1.913 10 0 BDAERO CCc1ccc([C@H](C)NC(=O)C2C[NH2+]C2)cc1 ZINC000091406271 171838241 /nfs/dbraw/zinc/83/82/41/171838241.db2.gz FAJACAWHZJMIGS-JTQLQIEISA-N 1 0 232.327 1.646 10 0 BDAERO CCc1ccc([C@H]([NH3+])CS(=O)(=O)CC)cc1 ZINC000075417092 171843079 /nfs/dbraw/zinc/84/30/79/171843079.db2.gz MZXIDTVSXZVPJK-GFCCVEGCSA-N 1 0 241.356 1.684 10 0 BDAERO CCc1ccc([C@]2(C)C[C@@]2(C[NH3+])CO)cc1 ZINC000070500735 171846277 /nfs/dbraw/zinc/84/62/77/171846277.db2.gz PCOHXGVUIGOBGS-UONOGXRCSA-N 1 0 219.328 1.848 10 0 BDAERO COCCCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000225810346 487623718 /nfs/dbraw/zinc/62/37/18/487623718.db2.gz SRMQDSBZLLWABG-NSHDSACASA-N 1 0 230.352 1.293 10 0 BDAERO CCc1nc([C@@H]([NH3+])Cc2ccccc2)no1 ZINC000036762678 172004248 /nfs/dbraw/zinc/00/42/48/172004248.db2.gz UBMRHCQDACYXEW-JTQLQIEISA-N 1 0 217.272 1.875 10 0 BDAERO CCc1nccn1C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052593177 172025430 /nfs/dbraw/zinc/02/54/30/172025430.db2.gz WZQVZHVWQQTBHC-OLZOCXBDSA-N 1 0 249.358 1.745 10 0 BDAERO CCc1nccn1[C@@H](C[NH3+])c1ccccc1 ZINC000042899619 172028996 /nfs/dbraw/zinc/02/89/96/172028996.db2.gz IUQHYUPZAORMJY-LBPRGKRZSA-N 1 0 215.300 1.994 10 0 BDAERO CCc1noc(C)c1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000335375930 172075543 /nfs/dbraw/zinc/07/55/43/172075543.db2.gz MVASSDFXCHFIKI-TVQRCGJNSA-N 1 0 238.331 1.891 10 0 BDAERO CCc1noc([C@H](C[NH3+])c2ccccc2)n1 ZINC000061609373 172092066 /nfs/dbraw/zinc/09/20/66/172092066.db2.gz LUQRZJQWSJXOID-SNVBAGLBSA-N 1 0 217.272 1.723 10 0 BDAERO CCc1nsc(N[C@@H]2CC[C@H]([NH+](C)C)C2)n1 ZINC000301914925 172106636 /nfs/dbraw/zinc/10/66/36/172106636.db2.gz GBWRAFSXYIEVFP-BDAKNGLRSA-N 1 0 240.376 1.995 10 0 BDAERO CCn1c(C)nnc1C1([NH3+])CCC(C)CC1 ZINC000042029702 172138577 /nfs/dbraw/zinc/13/85/77/172138577.db2.gz KNXBWAIZQXPYEN-UHFFFAOYSA-N 1 0 222.336 1.971 10 0 BDAERO CCn1c2ccc(C)cc2nc1CC[NH3+] ZINC000037437997 172143489 /nfs/dbraw/zinc/14/34/89/172143489.db2.gz VUVYCLRBJUABGG-UHFFFAOYSA-N 1 0 203.289 1.866 10 0 BDAERO CCn1cc(C[NH3+])c(-c2cccnc2)n1 ZINC000082639183 172161482 /nfs/dbraw/zinc/16/14/82/172161482.db2.gz TYSNNUAODIQHBV-UHFFFAOYSA-N 1 0 202.261 1.424 10 0 BDAERO CCn1cc(C[NH2+][C@@H]2CCCCC[C@H]2O)cn1 ZINC000135708012 172174352 /nfs/dbraw/zinc/17/43/52/172174352.db2.gz PGGUDOHGWBHRDV-CHWSQXEVSA-N 1 0 237.347 1.686 10 0 BDAERO CCn1cccc1C[NH2+]C[C@H](O)C(C)C ZINC000229974043 172207800 /nfs/dbraw/zinc/20/78/00/172207800.db2.gz MZNXGRADMQGQNU-LBPRGKRZSA-N 1 0 210.321 1.615 10 0 BDAERO CCn1cccc1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000168195429 172208747 /nfs/dbraw/zinc/20/87/47/172208747.db2.gz ACXQSBNLYWAOEY-VXGBXAGGSA-N 1 0 222.332 1.757 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000085608834 172209842 /nfs/dbraw/zinc/20/98/42/172209842.db2.gz SCZCMAVDVZMDBF-JTQLQIEISA-N 1 0 223.320 1.074 10 0 BDAERO CCn1ccnc1CSCC[NH+](C)C ZINC000120243785 172225542 /nfs/dbraw/zinc/22/55/42/172225542.db2.gz IGXJXSMBCIPNGH-UHFFFAOYSA-N 1 0 213.350 1.698 10 0 BDAERO CCn1cc[nH+]c1N[C@H]1CCCC[C@@H]1O ZINC000052006190 172227495 /nfs/dbraw/zinc/22/74/95/172227495.db2.gz HUOCEJGYYDZUPU-UWVGGRQHSA-N 1 0 209.293 1.618 10 0 BDAERO CCn1cc[nH+]c1NC1CCC(C(N)=O)CC1 ZINC000050614113 172228612 /nfs/dbraw/zinc/22/86/12/172228612.db2.gz XDLUJMLQZHZKJA-UHFFFAOYSA-N 1 0 236.319 1.359 10 0 BDAERO CCn1nccc1CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000292434008 172262590 /nfs/dbraw/zinc/26/25/90/172262590.db2.gz WHRUFABPTMDGQY-ZYHUDNBSSA-N 1 0 223.320 1.213 10 0 BDAERO CCn1nccc1CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000234208668 172265624 /nfs/dbraw/zinc/26/56/24/172265624.db2.gz MNRVLPBEJMMONU-DGCLKSJQSA-N 1 0 236.363 1.462 10 0 BDAERO CCn1nccc1C[NH2+]CCn1cc(C)cn1 ZINC000119125009 172270785 /nfs/dbraw/zinc/27/07/85/172270785.db2.gz TUIVCDZVQJKLPC-UHFFFAOYSA-N 1 0 233.319 1.198 10 0 BDAERO CN(C(=O)C1CC1)c1ccccc1C[NH3+] ZINC000082639564 172298527 /nfs/dbraw/zinc/29/85/27/172298527.db2.gz DQTITQZQFQTACK-UHFFFAOYSA-N 1 0 204.273 1.518 10 0 BDAERO CN(C(=O)CCc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000037540940 172305816 /nfs/dbraw/zinc/30/58/16/172305816.db2.gz UFUISDPIOIPPPK-LLVKDONJSA-N 1 0 236.315 1.423 10 0 BDAERO CN(C(=O)C[NH3+])c1cc(Cl)ccc1F ZINC000082596378 172308934 /nfs/dbraw/zinc/30/89/34/172308934.db2.gz IPYFXHHRUKBMRG-UHFFFAOYSA-N 1 0 216.643 1.401 10 0 BDAERO CN(C(=O)OC(C)(C)C)C1(F)CC[NH2+]CC1 ZINC000072232776 172324415 /nfs/dbraw/zinc/32/44/15/172324415.db2.gz LZCSAVQVRYLINL-UHFFFAOYSA-N 1 0 232.299 1.903 10 0 BDAERO CN(C(=O)[C@@](C)([NH3+])C1CC1)[C@@H]1CCSC1 ZINC000037478921 172330720 /nfs/dbraw/zinc/33/07/20/172330720.db2.gz SYGUWKPGOOTKCG-KOLCDFICSA-N 1 0 228.361 1.078 10 0 BDAERO CN(C(=O)c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000234265313 172339984 /nfs/dbraw/zinc/33/99/84/172339984.db2.gz JIDSPSMQCAUDEL-UHFFFAOYSA-N 1 0 242.681 1.523 10 0 BDAERO CN(C(=O)c1cccc2ncccc21)C1C[NH2+]C1 ZINC000090289846 172342710 /nfs/dbraw/zinc/34/27/10/172342710.db2.gz CVHLGXMGVAFQDL-UHFFFAOYSA-N 1 0 241.294 1.279 10 0 BDAERO CN(C(=O)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000082348251 172344343 /nfs/dbraw/zinc/34/43/43/172344343.db2.gz JFWZIQQISKGIDD-SECBINFHSA-N 1 0 224.329 1.572 10 0 BDAERO CN(C)C(=O)CC[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009799 172360299 /nfs/dbraw/zinc/36/02/99/172360299.db2.gz CUODPWLGMJCUQH-GFCCVEGCSA-N 1 0 248.326 1.058 10 0 BDAERO CN(C)C(=O)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336779383 172360343 /nfs/dbraw/zinc/36/03/43/172360343.db2.gz OCHQEWHJVOQNTC-QWRGUYRKSA-N 1 0 230.327 1.583 10 0 BDAERO CN(C)C(=O)CCOc1cccc(C[NH3+])c1 ZINC000037997367 172361169 /nfs/dbraw/zinc/36/11/69/172361169.db2.gz CEEBVSRMXRQKSH-UHFFFAOYSA-N 1 0 222.288 1.002 10 0 BDAERO CN(C)C(=O)c1cc(N[C@H]2CCC[C@H]2[NH3+])ccn1 ZINC000063177324 172388559 /nfs/dbraw/zinc/38/85/59/172388559.db2.gz VARKSEPOTHHXPI-MNOVXSKESA-N 1 0 248.330 1.075 10 0 BDAERO CN(CCc1ccncc1)[C@@H](C[NH3+])C(F)(F)F ZINC000048259404 172790420 /nfs/dbraw/zinc/79/04/20/172790420.db2.gz LBXDZKNSNFMTPH-JTQLQIEISA-N 1 0 247.264 1.446 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1ccc(Cl)nn1 ZINC000095070773 172827311 /nfs/dbraw/zinc/82/73/11/172827311.db2.gz JEGKMGHAJNDVIR-SECBINFHSA-N 1 0 240.738 1.708 10 0 BDAERO C[NH+]1CCC(Oc2ccc(C=O)cc2)CC1 ZINC000031978439 173000702 /nfs/dbraw/zinc/00/07/02/173000702.db2.gz KXOBYOISGCLBPY-UHFFFAOYSA-N 1 0 219.284 1.972 10 0 BDAERO C[NH+]1CCC2(CC1)C[C@@H](O)CCS2 ZINC000082381961 173001513 /nfs/dbraw/zinc/00/15/13/173001513.db2.gz AEGZCUPBIQDWBA-VIFPVBQESA-N 1 0 201.335 1.339 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC000044562235 173009337 /nfs/dbraw/zinc/00/93/37/173009337.db2.gz SBDGMNFUBQSUAZ-STQMWFEESA-N 1 0 226.364 1.629 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CNc1ccc(N)nc1 ZINC000044563548 173009651 /nfs/dbraw/zinc/00/96/51/173009651.db2.gz YFEGZLGCPLKVQY-NSHDSACASA-N 1 0 220.320 1.560 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2[nH]nc3c2CCCCN3)C1 ZINC000003698316 173022771 /nfs/dbraw/zinc/02/27/71/173022771.db2.gz KKSHIJROSMQDAQ-SNVBAGLBSA-N 1 0 234.347 1.967 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ncccc2N)C1 ZINC000041043364 173045870 /nfs/dbraw/zinc/04/58/70/173045870.db2.gz QTALNRNDOLPWNK-VIFPVBQESA-N 1 0 206.293 1.170 10 0 BDAERO CN(C)c1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072187538 173048728 /nfs/dbraw/zinc/04/87/28/173048728.db2.gz GEUZYTRKIUSBKQ-JTQLQIEISA-N 1 0 220.320 1.352 10 0 BDAERO Cn1ccnc1[C@@H]1C[N@@H+](C2CCC2)CCN1C ZINC000336312110 173075389 /nfs/dbraw/zinc/07/53/89/173075389.db2.gz GUJXLYKOQNFZAE-LBPRGKRZSA-N 1 0 234.347 1.261 10 0 BDAERO C[NH+]1CCN(C[C@@H]2CNc3ccccc3O2)CC1 ZINC000020071657 173085009 /nfs/dbraw/zinc/08/50/09/173085009.db2.gz KSLUUCKOPKVDQB-LBPRGKRZSA-N 1 0 247.342 1.107 10 0 BDAERO C[NH+]1CCN(Cc2ccc(C(N)=S)cc2)CC1 ZINC000019433916 173088717 /nfs/dbraw/zinc/08/87/17/173088717.db2.gz QGLDWCBYWQUWOD-UHFFFAOYSA-N 1 0 249.383 1.068 10 0 BDAERO CN1CCO[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC000078570930 173102961 /nfs/dbraw/zinc/10/29/61/173102961.db2.gz FEGXBWDUEXPZOP-NSHDSACASA-N 1 0 214.353 1.343 10 0 BDAERO CN1CC[C@@H](C[NH2+]Cc2ccccc2)OC1=O ZINC000021987994 173114861 /nfs/dbraw/zinc/11/48/61/173114861.db2.gz LCUMKPPLLNFUQI-LBPRGKRZSA-N 1 0 234.299 1.617 10 0 BDAERO CN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccco2)C1=O ZINC000116288990 173120127 /nfs/dbraw/zinc/12/01/27/173120127.db2.gz GRLYSIOTVMFPON-GHMZBOCLSA-N 1 0 234.299 1.647 10 0 BDAERO CN(C)c1ccccc1N[C@@H]1CC[N@H+](C)C1 ZINC000061987019 173125540 /nfs/dbraw/zinc/12/55/40/173125540.db2.gz NGDUMZDPJMDECW-LLVKDONJSA-N 1 0 219.332 1.869 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cc(F)ccc2N)C1 ZINC000052121393 173125928 /nfs/dbraw/zinc/12/59/28/173125928.db2.gz PJLQTYCUSDAPGR-SECBINFHSA-N 1 0 209.268 1.524 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc(CCO)cc2)C1 ZINC000061989492 173126039 /nfs/dbraw/zinc/12/60/39/173126039.db2.gz DTLYUTZDCIUHBJ-CYBMUJFWSA-N 1 0 220.316 1.337 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000042548162 173126256 /nfs/dbraw/zinc/12/62/56/173126256.db2.gz XDKPNBFXIHIQCL-SECBINFHSA-N 1 0 211.696 1.851 10 0 BDAERO C[N@@H+]1CC[C@H](C(=O)Nc2ccc(F)c(N)c2)C1 ZINC000063202400 173140981 /nfs/dbraw/zinc/14/09/81/173140981.db2.gz DTNPMWVIBMXSTP-QMMMGPOBSA-N 1 0 237.278 1.298 10 0 BDAERO CN1CC[C@H]([NH2+]Cc2ccccc2)C1=O ZINC000070582755 173152131 /nfs/dbraw/zinc/15/21/31/173152131.db2.gz ZPTOOHYQYOSSLV-NSHDSACASA-N 1 0 204.273 1.007 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc(N)cc2F)C1 ZINC000042544902 173154180 /nfs/dbraw/zinc/15/41/80/173154180.db2.gz GGHZSDYMKKPCFA-VIFPVBQESA-N 1 0 209.268 1.524 10 0 BDAERO C[N@@H+]1CC[C@H](OC(=O)c2ccc(N)cc2)C1 ZINC000039110215 173155801 /nfs/dbraw/zinc/15/58/01/173155801.db2.gz BRJWTEUQVHVISE-NSHDSACASA-N 1 0 220.272 1.130 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccccc2C(N)=S)C1 ZINC000042549339 173156543 /nfs/dbraw/zinc/15/65/43/173156543.db2.gz APIMYOJHVUGNPK-VIFPVBQESA-N 1 0 235.356 1.437 10 0 BDAERO C[N@@H+]1CC[C@H](n2c(N)nc3c2cccc3F)C1 ZINC000042548531 173157592 /nfs/dbraw/zinc/15/75/92/173157592.db2.gz DHZRHSAPQIOMCP-QMMMGPOBSA-N 1 0 234.278 1.634 10 0 BDAERO C[N@@H+]1CCc2[nH]c3ccccc3c(=O)c2C1 ZINC000072110788 173167683 /nfs/dbraw/zinc/16/76/83/173167683.db2.gz QPWFNRDFTXBFCB-UHFFFAOYSA-N 1 0 214.268 1.516 10 0 BDAERO Cn1c2ccccc2c(=O)c2c1CC[N@@H+](C)C2 ZINC000085345702 173168601 /nfs/dbraw/zinc/16/86/01/173168601.db2.gz DZOKBWLNXAKCBI-UHFFFAOYSA-N 1 0 228.295 1.526 10 0 BDAERO C[N@H+]1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000096065195 173187822 /nfs/dbraw/zinc/18/78/22/173187822.db2.gz KTQLZUUQFIGEMF-SCRDCRAPSA-N 1 0 247.342 1.603 10 0 BDAERO CN1C[C@H](C[NH3+])c2cccc(Br)c21 ZINC000071484111 173192900 /nfs/dbraw/zinc/19/29/00/173192900.db2.gz GJLYGCQGQANSFF-ZETCQYMHSA-N 1 0 241.132 1.941 10 0 BDAERO CN1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)CC1=O ZINC000309979572 173195312 /nfs/dbraw/zinc/19/53/12/173195312.db2.gz VNTLDRDDPQBEHR-HBNTYKKESA-N 1 0 228.311 1.335 10 0 BDAERO C[N@@H+]1C[C@H]2ON=C(c3ccc(O)cc3)[C@@H]2C1 ZINC000073167876 173200184 /nfs/dbraw/zinc/20/01/84/173200184.db2.gz KFBAEGLCRCONKM-GHMZBOCLSA-N 1 0 218.256 1.057 10 0 BDAERO CNC(=O)CCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309545531 173242478 /nfs/dbraw/zinc/24/24/78/173242478.db2.gz GVNSNURIAYGBQK-GHMZBOCLSA-N 1 0 230.327 1.631 10 0 BDAERO CNC(=O)CC[C@@H](C[NH3+])c1ccccc1OC ZINC000076619153 173263153 /nfs/dbraw/zinc/26/31/53/173263153.db2.gz PGSMQZKKUPYHEA-JTQLQIEISA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)CN(C)[C@@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042966101 173269177 /nfs/dbraw/zinc/26/91/77/173269177.db2.gz UHCQCIZNILFADH-SMDDNHRTSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)C[N@H+](Cc1cccc(N)c1)C(C)C ZINC000035365554 173272965 /nfs/dbraw/zinc/27/29/65/173272965.db2.gz ASDRPWDUUCKLRY-UHFFFAOYSA-N 1 0 235.331 1.225 10 0 BDAERO CNC(=O)CNc1cc[nH+]c2ccccc12 ZINC000041720480 173278900 /nfs/dbraw/zinc/27/89/00/173278900.db2.gz FQIRHKUIXWJBNX-UHFFFAOYSA-N 1 0 215.256 1.393 10 0 BDAERO CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000125307784 173292961 /nfs/dbraw/zinc/29/29/61/173292961.db2.gz CCSQDLWEPFZGLR-UHFFFAOYSA-N 1 0 205.261 1.084 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061328897 173295022 /nfs/dbraw/zinc/29/50/22/173295022.db2.gz COKCNGCJKDIART-PSASIEDQSA-N 1 0 238.356 1.850 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC000049687096 173295216 /nfs/dbraw/zinc/29/52/16/173295216.db2.gz FJEBCQZFXAZTFX-MRVPVSSYSA-N 1 0 226.345 1.589 10 0 BDAERO CNC(=O)[C@@H](C)Oc1cccc(C[C@@H](C)[NH3+])c1 ZINC000037726643 173296203 /nfs/dbraw/zinc/29/62/03/173296203.db2.gz GFNAGZXXHQRMSU-NXEZZACHSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000042570021 173303316 /nfs/dbraw/zinc/30/33/16/173303316.db2.gz DCBHFKXACZQHQE-JTQLQIEISA-N 1 0 243.310 1.459 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccccc1C[C@@H](C)[NH3+] ZINC000037724467 173304366 /nfs/dbraw/zinc/30/43/66/173304366.db2.gz OPYUQVDAKFRXCO-ZJUUUORDSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc([C@H](C)[NH2+]C)cc1 ZINC000034818831 173304439 /nfs/dbraw/zinc/30/44/39/173304439.db2.gz CIGXVRSFGDKEAH-UWVGGRQHSA-N 1 0 236.315 1.480 10 0 BDAERO CNC(=O)[C@H](C)n1ccc2c1CCC[C@H]2[NH3+] ZINC000041721749 173304538 /nfs/dbraw/zinc/30/45/38/173304538.db2.gz PZSAXKJEEDCFPH-WCBMZHEXSA-N 1 0 221.304 1.131 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(OC)nc1 ZINC000061300177 173318232 /nfs/dbraw/zinc/31/82/32/173318232.db2.gz UHTRYJJXDIYGGW-UHFFFAOYSA-N 1 0 223.276 1.027 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(C)c(F)c1 ZINC000061300416 173318404 /nfs/dbraw/zinc/31/84/04/173318404.db2.gz SOZGWYUASZPUEO-UHFFFAOYSA-N 1 0 238.306 1.748 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(F)cc1F ZINC000061300214 173318695 /nfs/dbraw/zinc/31/86/95/173318695.db2.gz ORSFFCGSTIWFRR-UHFFFAOYSA-N 1 0 228.242 1.901 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1C ZINC000061300260 173319272 /nfs/dbraw/zinc/31/92/72/173319272.db2.gz LGFIXMJQZFVPDV-UHFFFAOYSA-N 1 0 206.289 1.932 10 0 BDAERO C[NH2+]C1CCN(Cc2cccc(C)n2)CC1 ZINC000051576586 173323471 /nfs/dbraw/zinc/32/34/71/173323471.db2.gz PBRTYHROCIXDDT-UHFFFAOYSA-N 1 0 219.332 1.574 10 0 BDAERO C[NH2+]CC(=O)NCCOc1ccccc1Cl ZINC000077391515 173328515 /nfs/dbraw/zinc/32/85/15/173328515.db2.gz XZKDVALJQKMPIQ-UHFFFAOYSA-N 1 0 242.706 1.054 10 0 BDAERO C[NH2+]CC(=O)NCCCc1ccccc1F ZINC000077337024 173329231 /nfs/dbraw/zinc/32/92/31/173329231.db2.gz HLZCCIZMFBOHHI-UHFFFAOYSA-N 1 0 224.279 1.094 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](C)c1cc(C)ccc1C ZINC000035039443 173331995 /nfs/dbraw/zinc/33/19/95/173331995.db2.gz CVRRRTFBXAJCPC-NSHDSACASA-N 1 0 220.316 1.700 10 0 BDAERO C[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000020302303 173332844 /nfs/dbraw/zinc/33/28/44/173332844.db2.gz HYKKJBPXLSQMHZ-UHFFFAOYSA-N 1 0 200.188 1.123 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(-c2cnco2)cc1 ZINC000037766436 173333326 /nfs/dbraw/zinc/33/33/26/173333326.db2.gz FSVPDZIIZRXYLY-UHFFFAOYSA-N 1 0 231.255 1.500 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(F)cc(F)c1F ZINC000061118904 173333831 /nfs/dbraw/zinc/33/38/31/173333831.db2.gz DWXNVMGXBVCFFH-UHFFFAOYSA-N 1 0 218.178 1.262 10 0 BDAERO C[NH2+]CC(=O)Nc1nsc2ccccc21 ZINC000040402842 173334880 /nfs/dbraw/zinc/33/48/80/173334880.db2.gz HHANALJIWSJONQ-UHFFFAOYSA-N 1 0 221.285 1.454 10 0 BDAERO C[NH2+]CC(=O)c1ccc2c(c1)OCCCO2 ZINC000041234634 173336518 /nfs/dbraw/zinc/33/65/18/173336518.db2.gz RXYSOWAUQNMCQE-UHFFFAOYSA-N 1 0 221.256 1.250 10 0 BDAERO C[NH2+]CC1(Cc2ccco2)CCOCC1 ZINC000062103217 173337938 /nfs/dbraw/zinc/33/79/38/173337938.db2.gz GFRCITSECIUSEI-UHFFFAOYSA-N 1 0 209.289 1.838 10 0 BDAERO C[NH2+]CC1(c2ccccc2OC)CCOCC1 ZINC000053738726 173338708 /nfs/dbraw/zinc/33/87/08/173338708.db2.gz HPGAVQYGIOHYQC-UHFFFAOYSA-N 1 0 235.327 1.963 10 0 BDAERO C[NH2+]CCC(=O)OCc1cc(C)n(C)c1C ZINC000077337221 173341873 /nfs/dbraw/zinc/34/18/73/173341873.db2.gz JGWQRYHSHRSMCG-UHFFFAOYSA-N 1 0 224.304 1.295 10 0 BDAERO C[NH2+]CCC(=O)c1cc(OC)ccc1OC ZINC000049819235 173342152 /nfs/dbraw/zinc/34/21/52/173342152.db2.gz ITBIHIWZUSFKKZ-UHFFFAOYSA-N 1 0 223.272 1.496 10 0 BDAERO C[NH2+]CCC(=O)Nc1ccc2ncccc2c1 ZINC000054108609 173342223 /nfs/dbraw/zinc/34/22/23/173342223.db2.gz AGRRPZUSJMHCQV-UHFFFAOYSA-N 1 0 229.283 1.783 10 0 BDAERO C[NH2+]CCC(=O)OCc1cc(C)[nH]c1C ZINC000077304060 173342376 /nfs/dbraw/zinc/34/23/76/173342376.db2.gz LZNJZLLOIGVVSP-UHFFFAOYSA-N 1 0 210.277 1.284 10 0 BDAERO C[NH2+]CCCC(=O)N(C)c1cccc(C(C)=O)c1 ZINC000077423044 173343350 /nfs/dbraw/zinc/34/33/50/173343350.db2.gz GOJXWIMXLNJUFO-UHFFFAOYSA-N 1 0 248.326 1.852 10 0 BDAERO C[NH2+]CCCn1c2ccccc2oc1=O ZINC000042410052 173351100 /nfs/dbraw/zinc/35/11/00/173351100.db2.gz UPGWEZCANOHQBL-UHFFFAOYSA-N 1 0 206.245 1.204 10 0 BDAERO C[NH2+]CCCn1c2ccccc2nc(C)c1=O ZINC000052099242 173351458 /nfs/dbraw/zinc/35/14/58/173351458.db2.gz JWSJCOVNTDVIKY-UHFFFAOYSA-N 1 0 231.299 1.314 10 0 BDAERO C[NH2+]CCN(C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000070304888 173351789 /nfs/dbraw/zinc/35/17/89/173351789.db2.gz IRNGRCPLTCZSKC-UHFFFAOYSA-N 1 0 249.314 1.572 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc(C)cc1C ZINC000077331445 173352470 /nfs/dbraw/zinc/35/24/70/173352470.db2.gz UQZOCQGRKPKNAK-UHFFFAOYSA-N 1 0 220.360 1.997 10 0 BDAERO C[NH2+]CCOCCc1ccc2c(c1)OCCO2 ZINC000077374033 173356647 /nfs/dbraw/zinc/35/66/47/173356647.db2.gz YHZNOGXBCNCRIE-UHFFFAOYSA-N 1 0 237.299 1.236 10 0 BDAERO C[NH2+]CCOc1cc(OC)cc(OC)c1 ZINC000032012484 173357346 /nfs/dbraw/zinc/35/73/46/173357346.db2.gz BWDVEJDLYVPDQR-UHFFFAOYSA-N 1 0 211.261 1.302 10 0 BDAERO C[NH2+]CCSc1cccc2nccn21 ZINC000089201286 173357408 /nfs/dbraw/zinc/35/74/08/173357408.db2.gz KBCDYFJJQWQQKN-UHFFFAOYSA-N 1 0 207.302 1.646 10 0 BDAERO C[NH2+]CCOc1ncccc1Br ZINC000051866950 173357915 /nfs/dbraw/zinc/35/79/15/173357915.db2.gz WEJGFABUBUTUNA-UHFFFAOYSA-N 1 0 231.093 1.442 10 0 BDAERO C[NH2+]CC[C@H](O)c1cc(OC)c(C)cc1OC ZINC000071549501 173358964 /nfs/dbraw/zinc/35/89/64/173358964.db2.gz MWIAHSHSKZUNCT-NSHDSACASA-N 1 0 239.315 1.655 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1ccc(C)cc1C ZINC000077373162 173359095 /nfs/dbraw/zinc/35/90/95/173359095.db2.gz RCLYLDUCZQQQHL-ZDUSSCGKSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc(C)o2)n1 ZINC000051850860 173361641 /nfs/dbraw/zinc/36/16/41/173361641.db2.gz AVUTZOIIDPXEGL-UHFFFAOYSA-N 1 0 207.233 1.400 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2CCCCO2)n1 ZINC000051850568 173361739 /nfs/dbraw/zinc/36/17/39/173361739.db2.gz OFRQYEJOTVLWBL-QMMMGPOBSA-N 1 0 211.265 1.073 10 0 BDAERO C[NH2+]C[C@@H](C)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052953622 173364602 /nfs/dbraw/zinc/36/46/02/173364602.db2.gz UWOJIFBJLLGBKY-MWLCHTKSSA-N 1 0 239.340 1.413 10 0 BDAERO C[NH2+]C[C@@H](C)OCc1ccc(OC)c(OC)c1 ZINC000051842467 173364730 /nfs/dbraw/zinc/36/47/30/173364730.db2.gz YDKNAMJHOFLCAB-SNVBAGLBSA-N 1 0 239.315 1.828 10 0 BDAERO C[NH2+]C[C@@H](C)n1cc(Br)cn1 ZINC000052577601 173364959 /nfs/dbraw/zinc/36/49/59/173364959.db2.gz QZRDNJPHRQYKKS-ZCFIWIBFSA-N 1 0 218.098 1.426 10 0 BDAERO C[NH2+]C[C@@H](O)CN(C)c1ccccc1C(C)C ZINC000077373135 173365133 /nfs/dbraw/zinc/36/51/33/173365133.db2.gz LYWSMNRWZFWRCW-GFCCVEGCSA-N 1 0 236.359 1.827 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc2cccc(F)c2o1 ZINC000082376492 173365383 /nfs/dbraw/zinc/36/53/83/173365383.db2.gz WIURZLNUZMSICE-SECBINFHSA-N 1 0 209.220 1.825 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1nc(C)cs1 ZINC000019865366 173365453 /nfs/dbraw/zinc/36/54/53/173365453.db2.gz MLDYFEAAGSWGSH-SSDOTTSWSA-N 1 0 218.347 1.124 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1ccc(F)cc1F ZINC000071508144 173365558 /nfs/dbraw/zinc/36/55/58/173365558.db2.gz LJYCOCHJANJAKE-VIFPVBQESA-N 1 0 201.216 1.088 10 0 BDAERO C[NH2+]C[C@@H](O)c1c[nH]c2c1cccc2OC ZINC000071487926 173365770 /nfs/dbraw/zinc/36/57/70/173365770.db2.gz AZDRWZOIVMIXNT-SNVBAGLBSA-N 1 0 220.272 1.429 10 0 BDAERO C[NH2+]C[C@@H](O)COc1cccc(C)c1C ZINC000019864604 173365781 /nfs/dbraw/zinc/36/57/81/173365781.db2.gz AJXANSSMVBQVSK-LLVKDONJSA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000019864700 173365796 /nfs/dbraw/zinc/36/57/96/173365796.db2.gz AALWLEFIGXXLTA-SECBINFHSA-N 1 0 215.680 1.299 10 0 BDAERO C[NH2+]C[C@@H](O)c1csc(C(C)(C)C)n1 ZINC000083298814 173365927 /nfs/dbraw/zinc/36/59/27/173365927.db2.gz AGAOQJSTHVBDJL-MRVPVSSYSA-N 1 0 214.334 1.693 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(O)c(Cl)c1 ZINC000082913446 173366520 /nfs/dbraw/zinc/36/65/20/173366520.db2.gz RBIFBDKGKDODRS-SECBINFHSA-N 1 0 201.653 1.298 10 0 BDAERO C[NH2+]C[C@@H](c1ccc(OC)cc1OC)N(C)C ZINC000039795623 173367157 /nfs/dbraw/zinc/36/71/57/173367157.db2.gz FDOMFQUSYIZCEA-LBPRGKRZSA-N 1 0 238.331 1.526 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(Cc2ccco2)C1 ZINC000040591964 173368080 /nfs/dbraw/zinc/36/80/80/173368080.db2.gz LEAGBAXXJDCKLK-NSHDSACASA-N 1 0 208.305 1.711 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)C ZINC000072194486 173368661 /nfs/dbraw/zinc/36/86/61/173368661.db2.gz ZSBXVIUVMAKJBO-VIFPVBQESA-N 1 0 200.282 1.215 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1nncc2ccccc21 ZINC000053703737 173369806 /nfs/dbraw/zinc/36/98/06/173369806.db2.gz JVEFJKJNDJQLLL-LBPRGKRZSA-N 1 0 242.326 1.818 10 0 BDAERO C[NH2+]C[C@@H]1CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000011891960 173371360 /nfs/dbraw/zinc/37/13/60/173371360.db2.gz KNMCIJBWPXFAAJ-LBPRGKRZSA-N 1 0 248.326 1.457 10 0 BDAERO C[NH2+]C[C@@H]1NCCc2cccc(Cl)c21 ZINC000083661327 173372575 /nfs/dbraw/zinc/37/25/75/173372575.db2.gz HXFCOPBHFQNWBE-JTQLQIEISA-N 1 0 210.708 1.746 10 0 BDAERO C[NH2+]C[C@@H]1NCCc2ccc(Cl)cc21 ZINC000083667184 173372821 /nfs/dbraw/zinc/37/28/21/173372821.db2.gz LLVNDZZWUZGMRV-NSHDSACASA-N 1 0 210.708 1.746 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc(F)cc1F ZINC000055032767 173373273 /nfs/dbraw/zinc/37/32/73/173373273.db2.gz RCECDMBNZPRFLP-SNVBAGLBSA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+]C[C@H](C)COc1c(OC)cccc1OC ZINC000041282085 173375646 /nfs/dbraw/zinc/37/56/46/173375646.db2.gz APVJTPVGZDLUJV-JTQLQIEISA-N 1 0 239.315 1.938 10 0 BDAERO C[NH2+]C[C@H](C)Oc1nc2ccccc2[nH]1 ZINC000051866993 173376097 /nfs/dbraw/zinc/37/60/97/173376097.db2.gz LHPOBKHWERPKIQ-QMMMGPOBSA-N 1 0 205.261 1.550 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(OC(C)C)c(OC)c1 ZINC000033468625 173377339 /nfs/dbraw/zinc/37/73/39/173377339.db2.gz MAUOISOJYFPSDK-NSHDSACASA-N 1 0 239.315 1.735 10 0 BDAERO C[NH2+]C[C@H](c1ccc(OC)cc1)N(C)C ZINC000039978695 173377815 /nfs/dbraw/zinc/37/78/15/173377815.db2.gz GSXRAAGNPYEIRV-GFCCVEGCSA-N 1 0 208.305 1.517 10 0 BDAERO C[NH2+]C[C@H](c1ccccc1)n1cncn1 ZINC000052575271 173377996 /nfs/dbraw/zinc/37/79/96/173377996.db2.gz HMYJRBPIIBUROO-LLVKDONJSA-N 1 0 202.261 1.087 10 0 BDAERO C[NH2+]C[C@H](c1cc(OC)ccc1OC)N(C)C ZINC000019862140 173378206 /nfs/dbraw/zinc/37/82/06/173378206.db2.gz NRSCWLMPGJFJEI-GFCCVEGCSA-N 1 0 238.331 1.526 10 0 BDAERO C[NH2+]C[C@H]1CCCN(c2nc(C)cs2)C1 ZINC000040602162 173378857 /nfs/dbraw/zinc/37/88/57/173378857.db2.gz HIXMUAALBYNJIH-SNVBAGLBSA-N 1 0 225.361 1.887 10 0 BDAERO C[NH2+]C[C@H]1CCCN([C@@H]2CCCCC2=O)C1 ZINC000050158861 173379213 /nfs/dbraw/zinc/37/92/13/173379213.db2.gz FGPZICCCTVLETR-VXGBXAGGSA-N 1 0 224.348 1.430 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1nc(C)cs1 ZINC000053703673 173380770 /nfs/dbraw/zinc/38/07/70/173380770.db2.gz OQVXRVCELZRCJQ-SECBINFHSA-N 1 0 211.334 1.640 10 0 BDAERO C[NH2+]C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000238853205 173382718 /nfs/dbraw/zinc/38/27/18/173382718.db2.gz IQFHUMHLRZEQCV-DTWKUNHWSA-N 1 0 229.324 1.275 10 0 BDAERO C[NH2+]C[C@H]1CN(Cc2ccccc2)CC[C@@H]1O ZINC000095075958 173382757 /nfs/dbraw/zinc/38/27/57/173382757.db2.gz TVCKUIRPRSAEMK-KBPBESRZSA-N 1 0 234.343 1.089 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc(Br)cc1 ZINC000011803597 173383276 /nfs/dbraw/zinc/38/32/76/173383276.db2.gz WJPOEFHSGVINSC-JTQLQIEISA-N 1 0 244.132 1.876 10 0 BDAERO C[NH2+]C[C@](C)(O)c1cc(Cl)ccc1F ZINC000082536352 173383465 /nfs/dbraw/zinc/38/34/65/173383465.db2.gz VGOXXJBENKAPPA-JTQLQIEISA-N 1 0 217.671 1.906 10 0 BDAERO C[NH2+]C[C@](C)(O)Cc1cccc(Cl)c1 ZINC000019684521 173383565 /nfs/dbraw/zinc/38/35/65/173383565.db2.gz FNFAOLXYBGUZAH-LLVKDONJSA-N 1 0 213.708 1.853 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N(C)C1CC1 ZINC000034824662 173383767 /nfs/dbraw/zinc/38/37/67/173383767.db2.gz FSXJNLPUFYRRNW-UHFFFAOYSA-N 1 0 208.309 1.047 10 0 BDAERO C[NH2+]Cc1c(C)nn([C@@H]2CCC[C@H]2O)c1C ZINC000054599497 173384632 /nfs/dbraw/zinc/38/46/32/173384632.db2.gz YMXJENCOAZDYSP-VXGBXAGGSA-N 1 0 223.320 1.305 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H]1C ZINC000037911799 173384638 /nfs/dbraw/zinc/38/46/38/173384638.db2.gz PXJFQTDSMJZBTF-SECBINFHSA-N 1 0 222.336 1.437 10 0 BDAERO C[NH2+]Cc1c(OCCO)ccc2ccccc21 ZINC000035630637 173384666 /nfs/dbraw/zinc/38/46/66/173384666.db2.gz RNPGMHYBCOYWJF-UHFFFAOYSA-N 1 0 231.295 1.930 10 0 BDAERO C[NH2+]Cc1cc(-n2ccc(C)n2)ccn1 ZINC000052885147 173385710 /nfs/dbraw/zinc/38/57/10/173385710.db2.gz RSXRCQBMWLOIQF-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1cc(CN2CCSCC2)oc1C ZINC000052425538 173387239 /nfs/dbraw/zinc/38/72/39/173387239.db2.gz UXLXJVCPXLGVGA-UHFFFAOYSA-N 1 0 240.372 1.856 10 0 BDAERO C[NH2+]Cc1cc(Cn2cnc(C)c2C)on1 ZINC000052593522 173387402 /nfs/dbraw/zinc/38/74/02/173387402.db2.gz TZAHZKPKLINAPW-UHFFFAOYSA-N 1 0 220.276 1.256 10 0 BDAERO C[NH2+]Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000034797768 173387828 /nfs/dbraw/zinc/38/78/28/173387828.db2.gz VZHVKQNZNFTBGA-UHFFFAOYSA-N 1 0 216.284 1.864 10 0 BDAERO C[NH2+]Cc1cccc(OCC(=O)NC(C)C)c1 ZINC000034816116 173389537 /nfs/dbraw/zinc/38/95/37/173389537.db2.gz XHBYDUWMUOBGQB-UHFFFAOYSA-N 1 0 236.315 1.309 10 0 BDAERO C[NH2+]Cc1cccc(OC2CCOCC2)n1 ZINC000051522161 173389550 /nfs/dbraw/zinc/38/95/50/173389550.db2.gz LGYKETFEXFNGDA-UHFFFAOYSA-N 1 0 222.288 1.359 10 0 BDAERO C[NH2+]Cc1cccc(OCCn2cccn2)c1 ZINC000049313635 173389698 /nfs/dbraw/zinc/38/96/98/173389698.db2.gz DVYUELTZVBJDST-UHFFFAOYSA-N 1 0 231.299 1.682 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCC[C@@H]1CO ZINC000042433182 173390079 /nfs/dbraw/zinc/39/00/79/173390079.db2.gz LEGQPIAPUAMCSA-GFCCVEGCSA-N 1 0 220.316 1.367 10 0 BDAERO C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000020230880 173390219 /nfs/dbraw/zinc/39/02/19/173390219.db2.gz JDNFUXILVHKZKU-UHFFFAOYSA-N 1 0 220.316 1.238 10 0 BDAERO C[NH2+]Cc1ccoc1Cn1cc(Cl)cn1 ZINC000052577137 173390949 /nfs/dbraw/zinc/39/09/49/173390949.db2.gz LRMFRLPPUGFRFF-UHFFFAOYSA-N 1 0 225.679 1.897 10 0 BDAERO C[NH2+]Cc1ccnc(-n2ccnc2C)c1 ZINC000051490982 173391909 /nfs/dbraw/zinc/39/19/09/173391909.db2.gz RGAGBMHJJVGHEA-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1cnc(-n2cncn2)c(Cl)c1 ZINC000051489706 173392402 /nfs/dbraw/zinc/39/24/02/173392402.db2.gz LWBVAHJQWIDHAG-UHFFFAOYSA-N 1 0 223.667 1.035 10 0 BDAERO C[NH2+]Cc1cnc(N2CCCO[C@H](C)C2)s1 ZINC000061936768 173392649 /nfs/dbraw/zinc/39/26/49/173392649.db2.gz DCKYSMWURDAXRK-SECBINFHSA-N 1 0 241.360 1.478 10 0 BDAERO C[NH2+]Cc1cnn([C@@H]2CCCC[C@H]2O)c1 ZINC000054599999 173392848 /nfs/dbraw/zinc/39/28/48/173392848.db2.gz DNUDQBJZUJPLDS-GHMZBOCLSA-N 1 0 209.293 1.079 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(F)cc2)o1 ZINC000047864576 173397420 /nfs/dbraw/zinc/39/74/20/173397420.db2.gz YKAXLWXYOKGHLX-UHFFFAOYSA-N 1 0 207.208 1.595 10 0 BDAERO C[NH2+]Cc1nnc(-c2cc(F)ccc2C)o1 ZINC000062667200 173398100 /nfs/dbraw/zinc/39/81/00/173398100.db2.gz KLBQURBPNUJVOY-UHFFFAOYSA-N 1 0 221.235 1.904 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H](C)Cc1ccc(F)cc1 ZINC000062081080 173398180 /nfs/dbraw/zinc/39/81/80/173398180.db2.gz FDCDTOLSNUCSPY-SECBINFHSA-N 1 0 249.293 1.335 10 0 BDAERO C[NH2+]Cc1nnnn1-c1cc(Cl)ccc1C ZINC000054744194 173398847 /nfs/dbraw/zinc/39/88/47/173398847.db2.gz QFTSTDLFKBACLD-UHFFFAOYSA-N 1 0 237.694 1.344 10 0 BDAERO C[NH2+][C@@H](C)c1ccccc1-n1cncn1 ZINC000034665245 173419676 /nfs/dbraw/zinc/41/96/76/173419676.db2.gz MAAGVQXWGMBVHD-VIFPVBQESA-N 1 0 202.261 1.548 10 0 BDAERO C[NH2+][C@@H](CCN1CCOCC1)c1ccccc1 ZINC000053932174 173423344 /nfs/dbraw/zinc/42/33/44/173423344.db2.gz GCKUVIQQSHGEOC-AWEZNQCLSA-N 1 0 234.343 1.669 10 0 BDAERO C[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@H]1CCCO1 ZINC000035495868 173428386 /nfs/dbraw/zinc/42/83/86/173428386.db2.gz UJRUODJIHGLHPM-OCCSQVGLSA-N 1 0 246.310 1.621 10 0 BDAERO C[NH2+][C@@H](c1nccs1)C1CCOCC1 ZINC000052179417 173430307 /nfs/dbraw/zinc/43/03/07/173430307.db2.gz CROBFBKIYPYPLY-SECBINFHSA-N 1 0 212.318 1.830 10 0 BDAERO C[NH2+][C@@H]1CCCCC[C@H]1N1CCOCC1 ZINC000043807917 173431742 /nfs/dbraw/zinc/43/17/42/173431742.db2.gz UTFPXKRDXVXUHS-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO C[NH2+][C@H](CO)COc1cccc(C)c1C ZINC000071511941 173452470 /nfs/dbraw/zinc/45/24/70/173452470.db2.gz KAGRUZQOYIEADR-LLVKDONJSA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+][C@H](CN(C)CCCOC)c1ccccc1 ZINC000062030563 173452784 /nfs/dbraw/zinc/45/27/84/173452784.db2.gz BWTGDVACUIQYAW-CQSZACIVSA-N 1 0 236.359 1.915 10 0 BDAERO C[NH2+][C@H](C[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000038085347 173453694 /nfs/dbraw/zinc/45/36/94/173453694.db2.gz RZZLDJUVLNCGTC-VHSXEESVSA-N 1 0 233.377 1.445 10 0 BDAERO C[NH2+][C@H](c1sccc1C)[C@H]1COCCO1 ZINC000055301116 173459069 /nfs/dbraw/zinc/45/90/69/173459069.db2.gz JSOSACJPDAYXHM-ZJUUUORDSA-N 1 0 227.329 1.732 10 0 BDAERO C[NH2+][C@H]1CCN(Cc2nc(C)cs2)C[C@H]1C ZINC000049714099 173466077 /nfs/dbraw/zinc/46/60/77/173466077.db2.gz XMUBQQGXNPUYEI-KOLCDFICSA-N 1 0 239.388 1.881 10 0 BDAERO COC(=O)C[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000057527588 173625181 /nfs/dbraw/zinc/62/51/81/173625181.db2.gz AFLPILDOFKUJPK-NSHDSACASA-N 1 0 236.315 1.358 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000044136066 173817126 /nfs/dbraw/zinc/81/71/26/173817126.db2.gz YIXXFPABOISYEV-QWHCGFSZSA-N 1 0 249.310 1.561 10 0 BDAERO COC(OC)[C@@H](C[NH3+])Cc1ccccc1F ZINC000019729776 173965094 /nfs/dbraw/zinc/96/50/94/173965094.db2.gz IBJRRQAQGJFDAQ-SNVBAGLBSA-N 1 0 227.279 1.562 10 0 BDAERO COC1CC([NH2+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000335596452 174019987 /nfs/dbraw/zinc/01/99/87/174019987.db2.gz AVRLNCFIJQBGNQ-IDKOKCKLSA-N 1 0 221.304 1.034 10 0 BDAERO COCC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC000048631442 174058150 /nfs/dbraw/zinc/05/81/50/174058150.db2.gz AFWKJNXDWRWQKM-UHFFFAOYSA-N 1 0 236.315 1.508 10 0 BDAERO COCC(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000022172918 174060905 /nfs/dbraw/zinc/06/09/05/174060905.db2.gz YZFQXXXOEKYVHS-MRVPVSSYSA-N 1 0 208.261 1.291 10 0 BDAERO COCCCCC[NH2+]Cc1cnn(C)c1C ZINC000126226032 174183300 /nfs/dbraw/zinc/18/33/00/174183300.db2.gz RIKCNWGMKASOOZ-UHFFFAOYSA-N 1 0 225.336 1.635 10 0 BDAERO COCCC[N@H+](C)Cc1nc2cc(N)ccc2[nH]1 ZINC000062029143 174218138 /nfs/dbraw/zinc/21/81/38/174218138.db2.gz PEUVUOLYHUXWQV-UHFFFAOYSA-N 1 0 248.330 1.613 10 0 BDAERO COCCCN(CCC(N)=[NH2+])c1ccccc1 ZINC000037753871 174222720 /nfs/dbraw/zinc/22/27/20/174222720.db2.gz STTZWTYRKMJCTO-UHFFFAOYSA-N 1 0 235.331 1.856 10 0 BDAERO COCCCN1CCCC[C@@H]1C[NH2+]CCOC ZINC000053653649 174228223 /nfs/dbraw/zinc/22/82/23/174228223.db2.gz JLEGNEFIMHSEER-CYBMUJFWSA-N 1 0 244.379 1.113 10 0 BDAERO COCCC[N@@H+]1C[C@H](C)NC[C@H]1C(C)C ZINC000082935130 174235263 /nfs/dbraw/zinc/23/52/63/174235263.db2.gz VUEMWFSDLRTXMJ-RYUDHWBXSA-N 1 0 214.353 1.341 10 0 BDAERO COCCN(C)C(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055163162 174272982 /nfs/dbraw/zinc/27/29/82/174272982.db2.gz WILBBRLHYISJRI-NEPJUHHUSA-N 1 0 242.363 1.246 10 0 BDAERO COCC[N@@H+](Cc1ccc(C)s1)C[C@H](C)O ZINC000036101048 174300032 /nfs/dbraw/zinc/30/00/32/174300032.db2.gz FSMWZWXOGOFBPA-JTQLQIEISA-N 1 0 243.372 1.886 10 0 BDAERO COCC[N@H+]([C@H](C)COC)[C@@H]1CCCCC1=O ZINC000042608926 174302525 /nfs/dbraw/zinc/30/25/25/174302525.db2.gz DKXSWHJJQPTLPE-VXGBXAGGSA-N 1 0 243.347 1.481 10 0 BDAERO COCCN1C[C@@H](C(C)C)[NH2+]C[C@H]1C(C)C ZINC000062614011 174317400 /nfs/dbraw/zinc/31/74/00/174317400.db2.gz PBUIHJMEFJVYQR-STQMWFEESA-N 1 0 228.380 1.587 10 0 BDAERO COCCN1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860265 174318186 /nfs/dbraw/zinc/31/81/86/174318186.db2.gz SSGBFKLXTDSABO-CYBMUJFWSA-N 1 0 220.316 1.018 10 0 BDAERO COCC[NH2+]CCCc1ccccc1F ZINC000041225592 174331922 /nfs/dbraw/zinc/33/19/22/174331922.db2.gz VQWKVVUTLDFHAI-UHFFFAOYSA-N 1 0 211.280 1.994 10 0 BDAERO COCC[NH2+]CCN(C)CCc1ccccc1 ZINC000042427971 174332061 /nfs/dbraw/zinc/33/20/61/174332061.db2.gz FZKWRYRKUCPIKL-UHFFFAOYSA-N 1 0 236.359 1.397 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000032103354 174333695 /nfs/dbraw/zinc/33/36/95/174333695.db2.gz HHKWSSABRYJKLR-SNVBAGLBSA-N 1 0 247.697 1.749 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1c(C)cc(C)cc1C ZINC000049828917 174333746 /nfs/dbraw/zinc/33/37/46/174333746.db2.gz DDBZMKRLXHCFFG-CYBMUJFWSA-N 1 0 237.343 1.881 10 0 BDAERO COCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000032015844 174334707 /nfs/dbraw/zinc/33/47/07/174334707.db2.gz JKUXIYGJRNZPFI-NSHDSACASA-N 1 0 229.707 1.609 10 0 BDAERO COCCO[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000019394399 174366653 /nfs/dbraw/zinc/36/66/53/174366653.db2.gz OSSPFRYPYFSKNE-QWRGUYRKSA-N 1 0 201.310 1.700 10 0 BDAERO COCCOc1cccc(F)c1[C@H](C)[NH3+] ZINC000019873407 174369332 /nfs/dbraw/zinc/36/93/32/174369332.db2.gz CRNVWUQVZCSVLU-QMMMGPOBSA-N 1 0 213.252 1.871 10 0 BDAERO COCC[C@@H]([NH3+])c1nc2ccccc2[nH]1 ZINC000052785188 174392616 /nfs/dbraw/zinc/39/26/16/174392616.db2.gz FNIJJYZYRKEGGS-MRVPVSSYSA-N 1 0 205.261 1.599 10 0 BDAERO COC[C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000103431300 174436299 /nfs/dbraw/zinc/43/62/99/174436299.db2.gz BCKCBIGKZQOJEU-VXGBXAGGSA-N 1 0 242.363 1.117 10 0 BDAERO COC[C@H](C)CNC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055162731 174532211 /nfs/dbraw/zinc/53/22/11/174532211.db2.gz XBNKGHUOSRUHCJ-WOPDTQHZSA-N 1 0 242.363 1.150 10 0 BDAERO COC[C@H](C)[NH2+]CCN(C)Cc1ccncc1 ZINC000053383734 174547388 /nfs/dbraw/zinc/54/73/88/174547388.db2.gz ZNVMEDFKOJVCLJ-LBPRGKRZSA-N 1 0 237.347 1.138 10 0 BDAERO COC[C@H]([NH3+])c1cnc2ccccc2c1 ZINC000049672258 174575475 /nfs/dbraw/zinc/57/54/75/174575475.db2.gz OIQICCBASXMSMU-NSHDSACASA-N 1 0 202.257 1.881 10 0 BDAERO COCc1cccc(C[NH2+]CCC(=O)OC)c1 ZINC000038010818 174630689 /nfs/dbraw/zinc/63/06/89/174630689.db2.gz ZTEDKGOFIAQHDJ-UHFFFAOYSA-N 1 0 237.299 1.486 10 0 BDAERO CO[C@@H](C)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000127257477 174712125 /nfs/dbraw/zinc/71/21/25/174712125.db2.gz KCDIMNTVZMPCJQ-MNOVXSKESA-N 1 0 211.309 1.205 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](O)CC(C)(C)C ZINC000225811838 487629113 /nfs/dbraw/zinc/62/91/13/487629113.db2.gz NAKPDMPXMLATOU-WDEREUQCSA-N 1 0 244.379 1.273 10 0 BDAERO CO[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1(C)C ZINC000304244961 174779298 /nfs/dbraw/zinc/77/92/98/174779298.db2.gz OXCFYWSNJRXYNP-GARJFASQSA-N 1 0 229.364 1.797 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC1(C)C ZINC000225811239 487629225 /nfs/dbraw/zinc/62/92/25/487629225.db2.gz ZOCHKBTVIFWYNW-UWVGGRQHSA-N 1 0 212.337 1.522 10 0 BDAERO COc1cc(F)c(CC[NH3+])cc1Cl ZINC000044398609 174991747 /nfs/dbraw/zinc/99/17/47/174991747.db2.gz YTFSTSRURLXBEW-UHFFFAOYSA-N 1 0 203.644 1.989 10 0 BDAERO COc1cc([C@@H](C)N2CC[NH2+]CC2)ccc1O ZINC000038086685 175013491 /nfs/dbraw/zinc/01/34/91/175013491.db2.gz GMOLLIAUCSBZBD-SNVBAGLBSA-N 1 0 236.315 1.367 10 0 BDAERO COc1cc([C@@H](O)[C@H]([NH3+])CC(C)C)ccc1O ZINC000054929252 175015203 /nfs/dbraw/zinc/01/52/03/175015203.db2.gz LUFLQHTZECZNSE-ZWNOBZJWSA-N 1 0 239.315 1.808 10 0 BDAERO COc1cc([C@H](O)C[NH3+])ccc1OCC(C)C ZINC000033468630 175016599 /nfs/dbraw/zinc/01/65/99/175016599.db2.gz JIEXGXRJRAOTHN-LLVKDONJSA-N 1 0 239.315 1.722 10 0 BDAERO COc1cc([C@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000019785229 175016614 /nfs/dbraw/zinc/01/66/14/175016614.db2.gz OCFDOAHVIHRKEV-VIFPVBQESA-N 1 0 237.299 1.789 10 0 BDAERO COc1cc2c(c(OC)c1OC)C[C@H](C)[NH2+]C2 ZINC000052095256 175020527 /nfs/dbraw/zinc/02/05/27/175020527.db2.gz BEMZHDSGYRDDFD-QMMMGPOBSA-N 1 0 237.299 1.747 10 0 BDAERO COc1cc2c(cc1C[C@H](C)[NH3+])O[C@H](C)C2 ZINC000026825757 175021095 /nfs/dbraw/zinc/02/10/95/175021095.db2.gz XBHKBTCXRYPZMX-DTWKUNHWSA-N 1 0 221.300 1.908 10 0 BDAERO COc1cc2c(cc1C[C@H](C)[NH3+])OCC2 ZINC000013860959 175021929 /nfs/dbraw/zinc/02/19/29/175021929.db2.gz IUKWXRPAJLVHHN-QMMMGPOBSA-N 1 0 207.273 1.520 10 0 BDAERO COc1ccc(-c2c[nH]c(C[NH3+])n2)cc1F ZINC000036870907 175030072 /nfs/dbraw/zinc/03/00/72/175030072.db2.gz PCYVRVOVESSGJX-UHFFFAOYSA-N 1 0 221.235 1.683 10 0 BDAERO COc1ccc(-c2ncc(C[NH3+])s2)cc1O ZINC000040996827 175040309 /nfs/dbraw/zinc/04/03/09/175040309.db2.gz HLVIEGYVRMDRNV-UHFFFAOYSA-N 1 0 236.296 1.983 10 0 BDAERO COc1ccc(-n2cncc2C[NH3+])cc1Cl ZINC000076684163 175044715 /nfs/dbraw/zinc/04/47/15/175044715.db2.gz OMVLNFPBWHVJET-UHFFFAOYSA-N 1 0 237.690 1.993 10 0 BDAERO COc1ccc(C(N)[NH3+])cc1Br ZINC000071603313 175070149 /nfs/dbraw/zinc/07/01/49/175070149.db2.gz PDQUVEMVBWMWJB-UHFFFAOYSA-N 1 0 231.093 1.374 10 0 BDAERO COc1ccc(C)cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000052943834 175072802 /nfs/dbraw/zinc/07/28/02/175072802.db2.gz VFTREIOIRZKJGB-JTQLQIEISA-N 1 0 234.299 1.177 10 0 BDAERO COc1ccc(C)cc1C(=O)N(C)CC[NH3+] ZINC000052943296 175072864 /nfs/dbraw/zinc/07/28/64/175072864.db2.gz VYCMNMVIHMLAJV-UHFFFAOYSA-N 1 0 222.288 1.034 10 0 BDAERO COc1ccc(C)cc1C1(O)CC[NH+](C)CC1 ZINC000055261602 175073659 /nfs/dbraw/zinc/07/36/59/175073659.db2.gz XBTWHFFZNZZMLB-UHFFFAOYSA-N 1 0 235.327 1.917 10 0 BDAERO COc1ccc(C)cc1CC[NH2+]CCO ZINC000057495906 175075137 /nfs/dbraw/zinc/07/51/37/175075137.db2.gz YYGVEHMOCDHXGW-UHFFFAOYSA-N 1 0 209.289 1.128 10 0 BDAERO COc1ccc(C)cc1NC(=O)C[C@@H](C)C[NH3+] ZINC000076619102 175077908 /nfs/dbraw/zinc/07/79/08/175077908.db2.gz NYJWNKZKWKWVQK-SNVBAGLBSA-N 1 0 236.315 1.927 10 0 BDAERO COc1ccc(C)cc1[C@@H]([NH3+])CCCC(N)=O ZINC000037641272 175080596 /nfs/dbraw/zinc/08/05/96/175080596.db2.gz LNUSHWAMTLIPTE-NSHDSACASA-N 1 0 236.315 1.659 10 0 BDAERO COc1ccc(C)cc1[C@]1(C)OC[C@@H](C[NH3+])O1 ZINC000049828751 175082686 /nfs/dbraw/zinc/08/26/86/175082686.db2.gz ZHKSPUAZPIHIAB-ZWNOBZJWSA-N 1 0 237.299 1.550 10 0 BDAERO COc1ccc(CC[NH3+])cc1O[C@H]1CCOC1 ZINC000070072610 175090283 /nfs/dbraw/zinc/09/02/83/175090283.db2.gz SHJIYSZADFUBPL-NSHDSACASA-N 1 0 237.299 1.364 10 0 BDAERO COc1ccc(CC[NH2+]C[C@H]2CCOC2)cc1 ZINC000019907454 175091461 /nfs/dbraw/zinc/09/14/61/175091461.db2.gz MMTQXNWZIDUTHE-CYBMUJFWSA-N 1 0 235.327 1.864 10 0 BDAERO COc1ccc(CC[NH2+]C[C@H](C)O)c(C)c1C ZINC000098126338 175091694 /nfs/dbraw/zinc/09/16/94/175091694.db2.gz SGDVJYUYYRWSRA-JTQLQIEISA-N 1 0 237.343 1.825 10 0 BDAERO COc1ccc(C[NH3+])cc1CO[C@H]1CCOC1 ZINC000104102777 175096928 /nfs/dbraw/zinc/09/69/28/175096928.db2.gz ZZNWFOIRMRMBEB-LBPRGKRZSA-N 1 0 237.299 1.459 10 0 BDAERO COc1ccc(C[NH2+]CCO)cc1C(C)C ZINC000057516165 175106753 /nfs/dbraw/zinc/10/67/53/175106753.db2.gz FQELZFYBOOSODH-UHFFFAOYSA-N 1 0 223.316 1.901 10 0 BDAERO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282393737 175110736 /nfs/dbraw/zinc/11/07/36/175110736.db2.gz PDILEJSVCWVYAF-MFKMUULPSA-N 1 0 248.326 1.452 10 0 BDAERO COc1ccc(C[C@]2(C)OC[C@@H](C[NH3+])O2)cc1 ZINC000019729889 175117936 /nfs/dbraw/zinc/11/79/36/175117936.db2.gz HFXKDBIFKGVOEM-CHWSQXEVSA-N 1 0 237.299 1.328 10 0 BDAERO COc1ccc(Cl)cc1C[C@H]([NH3+])CN(C)C ZINC000071556784 175121326 /nfs/dbraw/zinc/12/13/26/175121326.db2.gz JLTRDLUDFHYNTM-NSHDSACASA-N 1 0 242.750 1.780 10 0 BDAERO COc1ccc(Cl)cc1[C@H]1C[NH2+]CCN1 ZINC000041247803 175122764 /nfs/dbraw/zinc/12/27/64/175122764.db2.gz WJUNOQNPVRNIOA-SNVBAGLBSA-N 1 0 226.707 1.583 10 0 BDAERO COc1ccc(Cl)cc1[C@](C)(O)CC[NH3+] ZINC000082348250 175123380 /nfs/dbraw/zinc/12/33/80/175123380.db2.gz FUURJMJJYNKJEC-LLVKDONJSA-N 1 0 229.707 1.905 10 0 BDAERO COc1ccc(F)cc1[C@H]1C[NH2+]CCN1 ZINC000041224824 175134045 /nfs/dbraw/zinc/13/40/45/175134045.db2.gz JLKPVVPNWWHAAG-SNVBAGLBSA-N 1 0 210.252 1.068 10 0 BDAERO COc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1Cl ZINC000035679743 175139296 /nfs/dbraw/zinc/13/92/96/175139296.db2.gz RUXSMZWSRMUVRJ-ZETCQYMHSA-N 1 0 240.690 1.413 10 0 BDAERO COc1ccc(OC)c(C(=O)C[NH2+]C(C)C)c1 ZINC000041613939 175164253 /nfs/dbraw/zinc/16/42/53/175164253.db2.gz NWPLMOQUPTXBGP-UHFFFAOYSA-N 1 0 237.299 1.885 10 0 BDAERO COc1ccc(OC)c(C[C@H]2CC[NH2+]C2)c1 ZINC000057951963 175166262 /nfs/dbraw/zinc/16/62/62/175166262.db2.gz LEOZLSSGEHXPGZ-SNVBAGLBSA-N 1 0 221.300 1.856 10 0 BDAERO COc1ccc(OC)c(N(C)CCC[NH3+])c1 ZINC000020239915 175166577 /nfs/dbraw/zinc/16/65/77/175166577.db2.gz SAIFRZOIWGQKRE-UHFFFAOYSA-N 1 0 224.304 1.489 10 0 BDAERO COc1ccc(OC)c([C@@H](C[NH3+])CCO)c1 ZINC000041245665 175167031 /nfs/dbraw/zinc/16/70/31/175167031.db2.gz RHDLTXDGJYNNHC-SECBINFHSA-N 1 0 225.288 1.129 10 0 BDAERO COc1ccc(OC)c([C@H](C[NH3+])OC)c1 ZINC000038812592 175168899 /nfs/dbraw/zinc/16/88/99/175168899.db2.gz HRQOYIJXQHSHOE-NSHDSACASA-N 1 0 211.261 1.350 10 0 BDAERO COc1ccc(OC)c([C@H](O)[C@@H]([NH3+])C(C)C)c1 ZINC000033468693 175169139 /nfs/dbraw/zinc/16/91/39/175169139.db2.gz QNBNVGWNAVHOJG-STQMWFEESA-N 1 0 239.315 1.721 10 0 BDAERO COc1ccc(OC)c([C@H]([NH3+])Cn2ccnc2)c1 ZINC000023066257 175169150 /nfs/dbraw/zinc/16/91/50/175169150.db2.gz HANMZKVTNOJNAX-GFCCVEGCSA-N 1 0 247.298 1.600 10 0 BDAERO COc1ccc(OC)c([C@H]2OC[C@@H](C[NH3+])O2)c1 ZINC000049829556 175170039 /nfs/dbraw/zinc/17/00/39/175170039.db2.gz AAOXQQYYZFSPAK-SKDRFNHKSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc(OC)c2c1CC[C@@H]2C[NH3+] ZINC000035049953 175170904 /nfs/dbraw/zinc/17/09/04/175170904.db2.gz QMKUNDBXINFYGC-MRVPVSSYSA-N 1 0 207.273 1.692 10 0 BDAERO COc1ccc(OC)c2c1CC[C@@]1(C[NH+]=CN1)C2 ZINC000000006258 175170925 /nfs/dbraw/zinc/17/09/25/175170925.db2.gz FCBYVPZNSPJDJQ-AWEZNQCLSA-N 1 0 246.310 1.563 10 0 BDAERO COc1ccc(OCC[NH+](C)C)c(N)c1 ZINC000022144313 175172329 /nfs/dbraw/zinc/17/23/29/175172329.db2.gz ZCJJYBYJJMTWNK-UHFFFAOYSA-N 1 0 210.277 1.218 10 0 BDAERO COc1ccc([C@@H](C[NH3+])n2ccnc2C)cc1 ZINC000042962249 175178326 /nfs/dbraw/zinc/17/83/26/175178326.db2.gz QTAIUBOXHHMMEW-CYBMUJFWSA-N 1 0 231.299 1.748 10 0 BDAERO COc1ccc([C@@H](O)C[NH+]2CCCC2)cc1 ZINC000019784879 175180741 /nfs/dbraw/zinc/18/07/41/175180741.db2.gz IQVCHCCRGAXJLA-ZDUSSCGKSA-N 1 0 221.300 1.824 10 0 BDAERO COc1ccc([C@@H](O)C[NH2+]C2CC2)cc1C ZINC000049818353 175180767 /nfs/dbraw/zinc/18/07/67/175180767.db2.gz NMTPKTXFSRFJHJ-LBPRGKRZSA-N 1 0 221.300 1.789 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000071549455 175181277 /nfs/dbraw/zinc/18/12/77/175181277.db2.gz ZNXZELMAAAFUBO-QWHCGFSZSA-N 1 0 239.315 1.721 10 0 BDAERO COc1ccc([C@H]([NH3+])CCCC(N)=O)cc1C ZINC000037636971 175191801 /nfs/dbraw/zinc/19/18/01/175191801.db2.gz ZAFUWWXTNNFWBB-LLVKDONJSA-N 1 0 236.315 1.659 10 0 BDAERO COc1ccc([C@H]([NH3+])C[C@H](C)CC(N)=O)cc1 ZINC000061830005 175192409 /nfs/dbraw/zinc/19/24/09/175192409.db2.gz DFAXQPDGMLNDET-JOYOIKCWSA-N 1 0 236.315 1.597 10 0 BDAERO COc1ccc([C@H](O)CC[NH2+]C(C)C)cc1N ZINC000098126473 175193471 /nfs/dbraw/zinc/19/34/71/175193471.db2.gz HSMIZEQLNCENSC-GFCCVEGCSA-N 1 0 238.331 1.699 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCCO2)cc1OC ZINC000035598706 175195266 /nfs/dbraw/zinc/19/52/66/175195266.db2.gz KGYPPDWWUVAKEO-CYBMUJFWSA-N 1 0 237.299 1.755 10 0 BDAERO COc1ccc([C@H]2OCC[NH2+][C@H]2C)cc1 ZINC000037405085 175198697 /nfs/dbraw/zinc/19/86/97/175198697.db2.gz BHRUEGUXZCYUBO-CABZTGNLSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc2[nH]cc(C[NH2+]CCO)c2c1 ZINC000083251161 175203236 /nfs/dbraw/zinc/20/32/36/175203236.db2.gz XQPQVLUPJOQHMK-UHFFFAOYSA-N 1 0 220.272 1.258 10 0 BDAERO COc1ccc2c(ccnc2NCC[NH3+])c1 ZINC000082766063 175205340 /nfs/dbraw/zinc/20/53/40/175205340.db2.gz DVLWPPGACFCACS-UHFFFAOYSA-N 1 0 217.272 1.614 10 0 BDAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC(N)=O ZINC000019406378 175208000 /nfs/dbraw/zinc/20/80/00/175208000.db2.gz MGEATKCMLGEQGT-LBPRGKRZSA-N 1 0 234.299 1.148 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])CC[S@@]2=O ZINC000040975682 175216294 /nfs/dbraw/zinc/21/62/94/175216294.db2.gz JVZIPCQTAZJMBH-YMTOWFKASA-N 1 0 211.286 1.206 10 0 BDAERO COc1ccc2c(c1OC)C[C@@H](C)[NH2+]C2 ZINC000052095249 175223042 /nfs/dbraw/zinc/22/30/42/175223042.db2.gz QKIRWVDNUQDALB-MRVPVSSYSA-N 1 0 207.273 1.738 10 0 BDAERO COc1cccc(-c2cc3n(n2)CC[NH2+]C3)c1 ZINC000084507813 175234578 /nfs/dbraw/zinc/23/45/78/175234578.db2.gz UNVXWQMKVPXBAN-UHFFFAOYSA-N 1 0 229.283 1.662 10 0 BDAERO COc1cccc(-n2nc(C)c(C[NH3+])c2C)c1 ZINC000041257497 175240080 /nfs/dbraw/zinc/24/00/80/175240080.db2.gz UPFMWBPFMZPQOX-UHFFFAOYSA-N 1 0 231.299 1.956 10 0 BDAERO COc1cccc(CCCCN2CC[NH2+]CC2)c1 ZINC000049836584 175250671 /nfs/dbraw/zinc/25/06/71/175250671.db2.gz ULQQCOJWWJNIOO-UHFFFAOYSA-N 1 0 248.370 1.923 10 0 BDAERO COc1cccc(CCN2CCC[C@@H]([NH3+])C2)c1 ZINC000057954327 175251860 /nfs/dbraw/zinc/25/18/60/175251860.db2.gz VFOPKMZNTXWVNP-CYBMUJFWSA-N 1 0 234.343 1.661 10 0 BDAERO COc1cccc(CCN2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000071563488 175251936 /nfs/dbraw/zinc/25/19/36/175251936.db2.gz DYZLYOYBSXSNIQ-OLZOCXBDSA-N 1 0 248.370 1.920 10 0 BDAERO COc1cccc(CN(C)CCC(N)=[NH2+])c1 ZINC000019834305 175256154 /nfs/dbraw/zinc/25/61/54/175256154.db2.gz SNPXDGDYAAYPQN-UHFFFAOYSA-N 1 0 221.304 1.453 10 0 BDAERO COc1cccc(C[C@H](O)[C@H]2CCC[NH2+]2)c1 ZINC000041237422 175272783 /nfs/dbraw/zinc/27/27/83/175272783.db2.gz NRVZQOILCITYFS-OLZOCXBDSA-N 1 0 221.300 1.351 10 0 BDAERO COc1cccc(N(C)[C@@H]2CCC[NH2+]C2)c1 ZINC000049969846 175275464 /nfs/dbraw/zinc/27/54/64/175275464.db2.gz QSXGGIIHPKNODI-GFCCVEGCSA-N 1 0 220.316 1.883 10 0 BDAERO COc1cccc(OC)c1O[C@H](C)CC[NH3+] ZINC000041042694 175282867 /nfs/dbraw/zinc/28/28/67/175282867.db2.gz MIHREFHGCYWPBG-SECBINFHSA-N 1 0 225.288 1.820 10 0 BDAERO COc1cccc([C@@H](O)CC[NH3+])c1OC ZINC000082953261 175289248 /nfs/dbraw/zinc/28/92/48/175289248.db2.gz HQVZLTSDFAQWHE-VIFPVBQESA-N 1 0 211.261 1.086 10 0 BDAERO COc1cccc([C@@H]([C@@H](C)[NH3+])N(C)CCO)c1 ZINC000043027249 175289769 /nfs/dbraw/zinc/28/97/69/175289769.db2.gz KSQDGZNVHWYBAO-ZWNOBZJWSA-N 1 0 238.331 1.008 10 0 BDAERO COc1cccc([C@@H](O)[C@@H](C)[NH3+])c1OC ZINC000020216932 175290214 /nfs/dbraw/zinc/29/02/14/175290214.db2.gz GWLPOWLUMAKGCV-XCBNKYQSSA-N 1 0 211.261 1.084 10 0 BDAERO COc1cccc([C@@H]2C[NH2+][C@@H](C)CO2)c1 ZINC000032011696 175290647 /nfs/dbraw/zinc/29/06/47/175290647.db2.gz UMZZZGCYPUGUQI-CABZTGNLSA-N 1 0 207.273 1.745 10 0 BDAERO COc1cccc([C@@H]2[C@H]([NH3+])CCN2C2CC2)c1 ZINC000070299715 175292008 /nfs/dbraw/zinc/29/20/08/175292008.db2.gz LNCNFGRZOJOWPW-ZIAGYGMSSA-N 1 0 232.327 1.932 10 0 BDAERO COc1cccc([C@H](O)[C@H]([NH3+])C(C)C)c1 ZINC000071511670 175294833 /nfs/dbraw/zinc/29/48/33/175294833.db2.gz AVRYTPLLXQKMQF-NEPJUHHUSA-N 1 0 209.289 1.712 10 0 BDAERO COc1cccc([C@H]([C@@H](C)[NH3+])N(C)C)c1 ZINC000043025958 175296340 /nfs/dbraw/zinc/29/63/40/175296340.db2.gz GPWGPSVFBWKMIQ-SKDRFNHKSA-N 1 0 208.305 1.645 10 0 BDAERO COc1cccc2cc3n(c21)CC[NH2+]C3 ZINC000013586843 175307355 /nfs/dbraw/zinc/30/73/55/175307355.db2.gz NVWYMOYTOXXDBN-UHFFFAOYSA-N 1 0 202.257 1.753 10 0 BDAERO COc1cccc2ncn([C@@H]3CCC[NH2+]C3)c21 ZINC000215835289 175308548 /nfs/dbraw/zinc/30/85/48/175308548.db2.gz KCCKOXGRCYIIBY-SNVBAGLBSA-N 1 0 231.299 1.969 10 0 BDAERO COc1ccccc1-c1c[nH]c(C[C@H](C)[NH3+])n1 ZINC000037608953 175309703 /nfs/dbraw/zinc/30/97/03/175309703.db2.gz WEABLBNQEOCUCQ-VIFPVBQESA-N 1 0 231.299 1.975 10 0 BDAERO COc1ccccc1-c1nc(C)cc(C[NH3+])n1 ZINC000054830658 175310410 /nfs/dbraw/zinc/31/04/10/175310410.db2.gz XQJBRCJGJGAEFO-UHFFFAOYSA-N 1 0 229.283 1.919 10 0 BDAERO COc1ccccc1-c1ocnc1C[NH3+] ZINC000082639446 175313237 /nfs/dbraw/zinc/31/32/37/175313237.db2.gz ZITCIBJNBOZDNC-UHFFFAOYSA-N 1 0 204.229 1.809 10 0 BDAERO COc1ccccc1CN1CC[NH2+]CC[C@H]1C ZINC000071544621 175328215 /nfs/dbraw/zinc/32/82/15/175328215.db2.gz KUJZIMONTPVVFC-GFCCVEGCSA-N 1 0 234.343 1.879 10 0 BDAERO COc1ccccc1C[C@@]1(C)OC[C@H](C[NH3+])O1 ZINC000019729882 175333113 /nfs/dbraw/zinc/33/31/13/175333113.db2.gz DLTODJCJAXPYJE-AAEUAGOBSA-N 1 0 237.299 1.328 10 0 BDAERO COc1ccccc1C[C@]1(O)CCC[NH2+]C1 ZINC000071522979 175333891 /nfs/dbraw/zinc/33/38/91/175333891.db2.gz CZKCSAACKDJYPG-CYBMUJFWSA-N 1 0 221.300 1.352 10 0 BDAERO COc1ccccc1C[C@H](O)C1CC[NH2+]CC1 ZINC000041266069 175334012 /nfs/dbraw/zinc/33/40/12/175334012.db2.gz RPIMMSJURGFZMA-ZDUSSCGKSA-N 1 0 235.327 1.598 10 0 BDAERO COc1ccccc1O[C@H]1COCC[C@@H]1[NH3+] ZINC000036305828 175342218 /nfs/dbraw/zinc/34/22/18/175342218.db2.gz RLESZIBZQLDCMH-CABZTGNLSA-N 1 0 223.272 1.190 10 0 BDAERO COc1ccccc1O[C@H](C[NH3+])C(F)(F)F ZINC000037169990 175342286 /nfs/dbraw/zinc/34/22/86/175342286.db2.gz VCTDWTRYKVQDDH-SECBINFHSA-N 1 0 235.205 1.964 10 0 BDAERO COc1ccccc1O[C@@H]1COCC[C@H]1[NH3+] ZINC000036305830 175342563 /nfs/dbraw/zinc/34/25/63/175342563.db2.gz RLESZIBZQLDCMH-BXKDBHETSA-N 1 0 223.272 1.190 10 0 BDAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])n1cccn1 ZINC000043098635 175348409 /nfs/dbraw/zinc/34/84/09/175348409.db2.gz XOVXWDWAYIYOKZ-ZWNOBZJWSA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccccc1[C@@H]1C[NH2+][C@@H](C)CO1 ZINC000032011692 175349239 /nfs/dbraw/zinc/34/92/39/175349239.db2.gz FBMBRIKDHJYOTL-CABZTGNLSA-N 1 0 207.273 1.745 10 0 BDAERO C[C@@H](C[NH3+])N(C)c1ccnc2cccnc21 ZINC000341043457 175710116 /nfs/dbraw/zinc/71/01/16/175710116.db2.gz RFRCFOJKDKZHRK-VIFPVBQESA-N 1 0 216.288 1.413 10 0 BDAERO C[C@@H](CO)[NH2+]Cc1cn(C)c2ccccc12 ZINC000082536826 175757121 /nfs/dbraw/zinc/75/71/21/175757121.db2.gz NADSUVCQVBPFJQ-JTQLQIEISA-N 1 0 218.300 1.649 10 0 BDAERO C[C@@H]([NH3+])Cc1c(-n2cccn2)nc2sccn12 ZINC000104262138 175806396 /nfs/dbraw/zinc/80/63/96/175806396.db2.gz YAVNTSCWEJSYMI-MRVPVSSYSA-N 1 0 247.327 1.471 10 0 BDAERO C[C@@H]([NH3+])Cc1cccc(OCCn2cccn2)c1 ZINC000049326429 175806993 /nfs/dbraw/zinc/80/69/93/175806993.db2.gz YGVOQKNZZJFQLH-GFCCVEGCSA-N 1 0 245.326 1.852 10 0 BDAERO C[C@@H]([NH3+])Cc1nc2ccc(F)cc2n1C ZINC000052124471 175807907 /nfs/dbraw/zinc/80/79/07/175807907.db2.gz XCLPVONWTLWBPL-SSDOTTSWSA-N 1 0 207.252 1.602 10 0 BDAERO C[C@@H]([NH3+])c1ccc(OCC(C)(C)O)cc1 ZINC000037697418 175817674 /nfs/dbraw/zinc/81/76/74/175817674.db2.gz OJLBGJPLTJJPKE-SECBINFHSA-N 1 0 209.289 1.856 10 0 BDAERO C[C@@H]([NH3+])c1ccc(Sc2nc[nH]n2)cc1 ZINC000019873892 175817686 /nfs/dbraw/zinc/81/76/86/175817686.db2.gz VTSAVAALZNXTKG-SSDOTTSWSA-N 1 0 220.301 1.976 10 0 BDAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000261593765 175830225 /nfs/dbraw/zinc/83/02/25/175830225.db2.gz ZHNCWVGDZKCYEJ-DGCLKSJQSA-N 1 0 247.342 1.791 10 0 BDAERO C[C@@H](NC(=O)NC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000035691113 175837095 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176003088 /nfs/dbraw/zinc/00/30/88/176003088.db2.gz JXCFBIXOUMEKNI-RKDXNWHRSA-N 1 0 212.318 1.830 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000043298396 176011362 /nfs/dbraw/zinc/01/13/62/176011362.db2.gz BCWVNFLLINRDSC-RITPCOANSA-N 1 0 207.199 1.810 10 0 BDAERO C[C@@H]([C@H]1CCC[NH2+]C1)N1CCCCC1=O ZINC000035689528 176012471 /nfs/dbraw/zinc/01/24/71/176012471.db2.gz WXVCBZAJKIOQCT-QWRGUYRKSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H](c1ccc(C[NH3+])cc1)N1C(=O)C[C@@H](C)C1=O ZINC000038051804 176014063 /nfs/dbraw/zinc/01/40/63/176014063.db2.gz ADWHOZSYOGVYJT-ZJUUUORDSA-N 1 0 246.310 1.601 10 0 BDAERO C[C@@H](c1ccc(C[NH3+])cc1)N1CCCC1=O ZINC000037748191 176014576 /nfs/dbraw/zinc/01/45/76/176014576.db2.gz OZTNEFXJTZYTTM-JTQLQIEISA-N 1 0 218.300 1.829 10 0 BDAERO C[C@@H](c1ccc(F)cc1)N1C[C@H](C[NH3+])CC1=O ZINC000019669380 176016091 /nfs/dbraw/zinc/01/60/91/176016091.db2.gz DOTUKBPILVOROC-UWVGGRQHSA-N 1 0 236.290 1.694 10 0 BDAERO C[C@@H](c1ccc[nH]1)N(C)C1CC[NH2+]CC1 ZINC000095068194 176016885 /nfs/dbraw/zinc/01/68/85/176016885.db2.gz ZRZZRXMEEUZHAS-JTQLQIEISA-N 1 0 207.321 1.760 10 0 BDAERO C[C@@H](c1ccc[nH]1)N(C)C[C@@H]1CC[NH2+]C1 ZINC000095068230 176017379 /nfs/dbraw/zinc/01/73/79/176017379.db2.gz GVLVCDMZIGEUFQ-WDEREUQCSA-N 1 0 207.321 1.617 10 0 BDAERO C[C@@H](c1cccc(Cl)c1)N1C[C@@H]([NH3+])CC1=O ZINC000049526764 176018228 /nfs/dbraw/zinc/01/82/28/176018228.db2.gz DGCMGBMCCSFYIV-KWQFWETISA-N 1 0 238.718 1.961 10 0 BDAERO C[C@@H](c1ccccc1)S(=O)(=O)CCC[NH3+] ZINC000058250718 176021663 /nfs/dbraw/zinc/02/16/63/176021663.db2.gz FCCUSZZBQCVCKE-JTQLQIEISA-N 1 0 227.329 1.511 10 0 BDAERO C[C@@H](c1ccncc1)N1CC[NH2+][C@H](C)CC1 ZINC000049662185 176036203 /nfs/dbraw/zinc/03/62/03/176036203.db2.gz SBILFWJWCHBGIB-NEPJUHHUSA-N 1 0 219.332 1.826 10 0 BDAERO C[C@@H]1CCC(=O)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000053924591 176061818 /nfs/dbraw/zinc/06/18/18/176061818.db2.gz SJPGJEVAWKMEEZ-YPMHNXCESA-N 1 0 239.359 1.696 10 0 BDAERO C[C@@H]1CCCC[C@@]1([NH3+])Cc1cnn(C)c1 ZINC000050541614 176083369 /nfs/dbraw/zinc/08/33/69/176083369.db2.gz MNJNIWNQYBBEBY-ZYHUDNBSSA-N 1 0 207.321 1.870 10 0 BDAERO C[C@@H]1CCC[N@H+](CCCC(N)=S)C1 ZINC000019483101 176097660 /nfs/dbraw/zinc/09/76/60/176097660.db2.gz GKJLINDLACWIJU-SECBINFHSA-N 1 0 200.351 1.785 10 0 BDAERO C[C@@H]1CCC[N@H+](CCC2CS(=O)(=O)C2)[C@@H]1C ZINC000336250044 176098217 /nfs/dbraw/zinc/09/82/17/176098217.db2.gz FMHSGKITDFRMKK-GHMZBOCLSA-N 1 0 245.388 1.542 10 0 BDAERO C[C@@H]1CCCN(c2nc(C[NH3+])cs2)C1 ZINC000070628757 176104031 /nfs/dbraw/zinc/10/40/31/176104031.db2.gz HKSOHPNWBLHLJP-MRVPVSSYSA-N 1 0 211.334 1.838 10 0 BDAERO C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH3+])cn1 ZINC000104216741 176131026 /nfs/dbraw/zinc/13/10/26/176131026.db2.gz YCTFLGSMIPAYHT-KOLCDFICSA-N 1 0 233.315 1.459 10 0 BDAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cncnc2)C1 ZINC000054768250 176133987 /nfs/dbraw/zinc/13/39/87/176133987.db2.gz QUXDGAOHQDNXCE-DGCLKSJQSA-N 1 0 235.331 1.507 10 0 BDAERO 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1.749 10 0 BDAERO C[C@@H]1CN(Cc2ccc3c(c2)OCO3)[C@H](C)C[NH2+]1 ZINC000071563037 176304523 /nfs/dbraw/zinc/30/45/23/176304523.db2.gz ZGCKDNXNYMKRRM-GHMZBOCLSA-N 1 0 248.326 1.598 10 0 BDAERO C[C@@H]1CN(Cc2ccnc(N)c2)C[C@H]1[NH+](C)C ZINC000251910098 176308880 /nfs/dbraw/zinc/30/88/80/176308880.db2.gz XBZLLOZUQGSBNX-ZYHUDNBSSA-N 1 0 234.347 1.046 10 0 BDAERO C[C@@H]1COCCN1CC[C@@H]1CCCC[NH2+]1 ZINC000035776431 176336799 /nfs/dbraw/zinc/33/67/99/176336799.db2.gz AKZZTTNBWQRZDH-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO C[C@@H]1COCCN1[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000035775384 176337368 /nfs/dbraw/zinc/33/73/68/176337368.db2.gz FVAIICCXXNRBAR-DFBGVHRSSA-N 1 0 246.354 1.722 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2ccc(F)cc2[C@H]1[NH3+] ZINC000035755667 176348784 /nfs/dbraw/zinc/34/87/84/176348784.db2.gz XJRGUSPBQJCUAT-LDWIPMOCSA-N 1 0 229.276 1.249 10 0 BDAERO C[C@@H]1CSC(NC[C@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000044538330 176348807 /nfs/dbraw/zinc/34/88/07/176348807.db2.gz LHHKXIFFQPXGAT-NXEZZACHSA-N 1 0 227.377 1.409 10 0 BDAERO C[C@@H]1CSC(N[C@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000040715980 176349207 /nfs/dbraw/zinc/34/92/07/176349207.db2.gz JSPSGHVKGQGLOJ-BDAKNGLRSA-N 1 0 213.350 1.162 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000282520969 176455325 /nfs/dbraw/zinc/45/53/25/176455325.db2.gz YEOBVRCFZGWWBE-AXFHLTTASA-N 1 0 208.305 1.352 10 0 BDAERO C[C@@]1([NH2+]CC2CCCCC2)CCS(=O)(=O)C1 ZINC000035223174 176539437 /nfs/dbraw/zinc/53/94/37/176539437.db2.gz MRWKNRDYOGVRFZ-GFCCVEGCSA-N 1 0 245.388 1.734 10 0 BDAERO C[C@@]12CCCC[C@]1(Br)[N+](=O)N2O ZINC000025979659 176549175 /nfs/dbraw/zinc/54/91/75/176549175.db2.gz MQONQKXBMDYNHE-RQJHMYQMSA-N 1 0 235.081 1.897 10 0 BDAERO C[C@H](CC[NH+]1CC(O)C1)c1ccccc1 ZINC000297315710 176629235 /nfs/dbraw/zinc/62/92/35/176629235.db2.gz CGYATMYUEOVKDM-LLVKDONJSA-N 1 0 205.301 1.857 10 0 BDAERO CC(C)Oc1cncc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000232693145 487634870 /nfs/dbraw/zinc/63/48/70/487634870.db2.gz DVZTWZRCWFLJDP-ZJUUUORDSA-N 1 0 236.319 1.047 10 0 BDAERO C[C@H](O)[C@](C)(C[NH3+])Cc1ccc(F)cc1 ZINC000083777616 177016033 /nfs/dbraw/zinc/01/60/33/177016033.db2.gz UDOXWDOIHHWJPS-CABZTGNLSA-N 1 0 211.280 1.714 10 0 BDAERO C[C@H](Oc1cccc(CC[NH3+])c1)C(=O)N(C)C ZINC000037721281 177022889 /nfs/dbraw/zinc/02/28/89/177022889.db2.gz ZGCKLVMNDVIIGU-JTQLQIEISA-N 1 0 236.315 1.043 10 0 BDAERO C[C@H](c1cccc(N)c1)[N@@H+]1CCC[C@@H]1CO ZINC000042432734 177036346 /nfs/dbraw/zinc/03/63/46/177036346.db2.gz TUPYJAQHGHJXMT-ZWNOBZJWSA-N 1 0 220.316 1.787 10 0 BDAERO C[C@H](c1ccccc1Cl)n1nnnc1C[NH3+] ZINC000054747793 177041779 /nfs/dbraw/zinc/04/17/79/177041779.db2.gz RGOULMOXBVWEOQ-SSDOTTSWSA-N 1 0 237.694 1.395 10 0 BDAERO C[C@H](c1ccncc1)N(C)C(=O)C1([NH3+])CCCC1 ZINC000037824006 177050155 /nfs/dbraw/zinc/05/01/55/177050155.db2.gz ZZIFLUQYMVWGPY-LLVKDONJSA-N 1 0 247.342 1.873 10 0 BDAERO C[C@H](c1cnccn1)N(C)C[C@@H]1CC[NH2+]C1 ZINC000095068237 177050996 /nfs/dbraw/zinc/05/09/96/177050996.db2.gz IXNUMGCTEHUPGX-GHMZBOCLSA-N 1 0 220.320 1.079 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1C(=O)C[C@H](C)C1=O ZINC000103103273 177062357 /nfs/dbraw/zinc/06/23/57/177062357.db2.gz CNZJAPUNDCWFKL-DTWKUNHWSA-N 1 0 232.283 1.606 10 0 BDAERO C[C@H]1CC(C)(C)C[C@](C[NH3+])(N2CCOCC2)C1 ZINC000019435795 177063761 /nfs/dbraw/zinc/06/37/61/177063761.db2.gz YNXXLWSDNICBRK-GXTWGEPZSA-N 1 0 240.391 1.862 10 0 BDAERO C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H](CN)[C@@H]1CCOC1 ZINC000042606830 177081363 /nfs/dbraw/zinc/08/13/63/177081363.db2.gz UGBOBJWYAZSABV-CRWXNKLISA-N 1 0 240.391 1.861 10 0 BDAERO C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000053381527 177082564 /nfs/dbraw/zinc/08/25/64/177082564.db2.gz OTGVXTOSIGNROL-IHRRRGAJSA-N 1 0 240.391 1.875 10 0 BDAERO C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000042860291 177086117 /nfs/dbraw/zinc/08/61/17/177086117.db2.gz OPYRBRUTZHWZOE-GARJFASQSA-N 1 0 238.331 1.160 10 0 BDAERO C[C@H]1CCCC[C@H]1Oc1nccnc1C[NH3+] ZINC000054378517 177090492 /nfs/dbraw/zinc/09/04/92/177090492.db2.gz AOTMRUVECCZFGO-GXSJLCMTSA-N 1 0 221.304 1.893 10 0 BDAERO C[C@H]1CCCC[C@H]1Oc1ccc(C[NH3+])nn1 ZINC000051524806 177090686 /nfs/dbraw/zinc/09/06/86/177090686.db2.gz HVRSZRJVWKKAHA-GXSJLCMTSA-N 1 0 221.304 1.893 10 0 BDAERO C[C@H]1CCCN(C(=O)N(C)CCC[NH3+])C1 ZINC000082642371 177092639 /nfs/dbraw/zinc/09/26/39/177092639.db2.gz ORGZVTROJWOTFP-JTQLQIEISA-N 1 0 213.325 1.119 10 0 BDAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000051794736 177113031 /nfs/dbraw/zinc/11/30/31/177113031.db2.gz RSOWELWIQSNYOR-SRVKXCTJSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(N)=S ZINC000019489091 177116100 /nfs/dbraw/zinc/11/61/00/177116100.db2.gz GTAOCZQAPMNKRT-DTORHVGOSA-N 1 0 200.351 1.926 10 0 BDAERO C[C@H]1CCC[C@@]([NH3+])(CCS(C)(=O)=O)C1 ZINC000053752272 177127987 /nfs/dbraw/zinc/12/79/87/177127987.db2.gz BJHPUCQWZNHVBK-VHSXEESVSA-N 1 0 219.350 1.329 10 0 BDAERO C[C@H]1CCC[C@H](CN2C(=O)CCCC2=O)[NH2+]1 ZINC000051574943 177132935 /nfs/dbraw/zinc/13/29/35/177132935.db2.gz HXYITTOYGWSOSP-VHSXEESVSA-N 1 0 224.304 1.056 10 0 BDAERO C[C@H]1CCCc2sc([C@H]([NH3+])CO)nc21 ZINC000083347073 177145104 /nfs/dbraw/zinc/14/51/04/177145104.db2.gz PWOKJKKMZPCGSD-NKWVEPMBSA-N 1 0 212.318 1.575 10 0 BDAERO C[C@@H](c1cccnc1)N1CC[NH2+][C@@H](C)CC1 ZINC000049662167 177169927 /nfs/dbraw/zinc/16/99/27/177169927.db2.gz XOZHWJZTHLVLKU-RYUDHWBXSA-N 1 0 219.332 1.826 10 0 BDAERO C[C@H]1CC[C@@H](CN2C(=O)CCCCC2=O)C[NH2+]1 ZINC000062037617 177189089 /nfs/dbraw/zinc/18/90/89/177189089.db2.gz KENTUZWNBXAOOU-WDEREUQCSA-N 1 0 238.331 1.304 10 0 BDAERO C[C@H]1CC[C@H](C(=O)N2CCCCCC2)C[NH2+]1 ZINC000019515603 177196651 /nfs/dbraw/zinc/19/66/51/177196651.db2.gz ZFKZWJJTEJGEKI-RYUDHWBXSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@H]1CC[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]1C ZINC000082836261 177204597 /nfs/dbraw/zinc/20/45/97/177204597.db2.gz DBVIALCJPQTSAI-DCAQKATOSA-N 1 0 212.337 1.489 10 0 BDAERO C[C@H]1CN(C(=O)c2cccc(O)c2)C[C@@H]1[NH+](C)C ZINC000124194119 177228439 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C[C@H]1C[C@H](C)C[NH+](CCC2CS(=O)(=O)C2)C1 ZINC000336251259 177358350 /nfs/dbraw/zinc/35/83/50/177358350.db2.gz LCCNZIIKBNNCHJ-QWRGUYRKSA-N 1 0 245.388 1.399 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ncc[nH]2)C[C@H](C)O1 ZINC000282381514 177363123 /nfs/dbraw/zinc/36/31/23/177363123.db2.gz XJSFOOWZMULXES-JGPRNRPPSA-N 1 0 223.320 1.703 10 0 BDAERO C[C@H]1C[C@H](c2cccs2)CN1C(=O)C[NH3+] ZINC000309475583 177374981 /nfs/dbraw/zinc/37/49/81/177374981.db2.gz RUOZAERZIJHUTB-IUCAKERBSA-N 1 0 224.329 1.411 10 0 BDAERO C[C@H]1C[C@H]1CN(C)c1nc2ccccn2c1C[NH3+] ZINC000104422146 177379676 /nfs/dbraw/zinc/37/96/76/177379676.db2.gz XVWJTWVTXLNWCS-QWRGUYRKSA-N 1 0 244.342 1.885 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292907780 177386113 /nfs/dbraw/zinc/38/61/13/177386113.db2.gz FTNXHZHZHVZAEK-IONNQARKSA-N 1 0 215.247 1.646 10 0 BDAERO C[C@H]1Cc2ccccc2N1CCC(N)=[NH2+] ZINC000019423905 177390505 /nfs/dbraw/zinc/39/05/05/177390505.db2.gz AJKWTLKDWOZFLQ-VIFPVBQESA-N 1 0 203.289 1.764 10 0 BDAERO 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CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]1C ZINC000228490183 487662076 /nfs/dbraw/zinc/66/20/76/487662076.db2.gz FMUJCNIGWFQNIP-HBNTYKKESA-N 1 0 212.337 1.665 10 0 BDAERO C[C@@H](Nc1nnc(C(F)F)s1)[C@H](C)[NH3+] ZINC000307551857 229215939 /nfs/dbraw/zinc/21/59/39/229215939.db2.gz TZJMLJXARUHXMK-IUYQGCFVSA-N 1 0 222.264 1.623 10 0 BDAERO Cc1cc(N)c(O)cc1C1CC[NH2+]CC1 ZINC000309106107 229347623 /nfs/dbraw/zinc/34/76/23/229347623.db2.gz HYOQXDJHENHJDI-UHFFFAOYSA-N 1 0 206.289 1.750 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000226226866 487685059 /nfs/dbraw/zinc/68/50/59/487685059.db2.gz QGJHDGOTUSIDPI-IJLUTSLNSA-N 1 0 213.321 1.449 10 0 BDAERO CCN(CC[NH3+])c1ncccc1C(F)(F)F ZINC000082591968 487685912 /nfs/dbraw/zinc/68/59/12/487685912.db2.gz SXSSHPWMIIGKPB-UHFFFAOYSA-N 1 0 233.237 1.885 10 0 BDAERO Cc1cc(C[N@@H+]2CC[C@H](CCO)C2)ccn1 ZINC000527533292 262860733 /nfs/dbraw/zinc/86/07/33/262860733.db2.gz IFGSFQMBBWXIAM-GFCCVEGCSA-N 1 0 220.316 1.594 10 0 BDAERO 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BDAERO C[C@@]1(C(=O)NCC[C@H]2CCCO2)CCCC[NH2+]1 ZINC000136153951 487715307 /nfs/dbraw/zinc/71/53/07/487715307.db2.gz XSRYDIQCSKUJJA-YPMHNXCESA-N 1 0 240.347 1.204 10 0 BDAERO CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000233506947 487724363 /nfs/dbraw/zinc/72/43/63/487724363.db2.gz KXKJIGXYKJHYNJ-WCQYABFASA-N 1 0 237.347 1.980 10 0 BDAERO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249975693 487725662 /nfs/dbraw/zinc/72/56/62/487725662.db2.gz JJMODLJAQSACKM-CLLJXQQHSA-N 1 0 236.359 1.587 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226378739 487726029 /nfs/dbraw/zinc/72/60/29/487726029.db2.gz PIGYFQCSAHYRDO-VLEAKVRGSA-N 1 0 210.321 1.419 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1Cc2ccccc21 ZINC000136363678 487731662 /nfs/dbraw/zinc/73/16/62/487731662.db2.gz YPLLYOJIJSICDF-TZMCWYRMSA-N 1 0 246.354 1.816 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000136443956 487735998 /nfs/dbraw/zinc/73/59/98/487735998.db2.gz XRPSMTPESJVCAV-SDDRHHMPSA-N 1 0 240.347 1.140 10 0 BDAERO Cc1cccc(CNC(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000136450236 487736908 /nfs/dbraw/zinc/73/69/08/487736908.db2.gz MTYLIJACBUEVTE-GFCCVEGCSA-N 1 0 235.331 1.380 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250704399 487737984 /nfs/dbraw/zinc/73/79/84/487737984.db2.gz DNICQMWSDYSKMO-RVMXOQNASA-N 1 0 236.359 1.491 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250677051 487739502 /nfs/dbraw/zinc/73/95/02/487739502.db2.gz WVAOCCCTFYGOIY-HHHUOAJASA-N 1 0 222.332 1.276 10 0 BDAERO C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250756011 487739812 /nfs/dbraw/zinc/73/98/12/487739812.db2.gz QBOYVRPRHNHSHS-CLLJXQQHSA-N 1 0 236.359 1.491 10 0 BDAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250891959 487743516 /nfs/dbraw/zinc/74/35/16/487743516.db2.gz XSVIDGXBMTWIKM-XVIXHAIJSA-N 1 0 248.370 1.776 10 0 BDAERO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000384758229 487743776 /nfs/dbraw/zinc/74/37/76/487743776.db2.gz ACUFQGVXAIIUDB-MROQNXINSA-N 1 0 227.348 1.383 10 0 BDAERO CCCCNC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226459632 487751693 /nfs/dbraw/zinc/75/16/93/487751693.db2.gz KCANZAQXBMAUTE-LLVKDONJSA-N 1 0 227.352 1.570 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000082922054 487753968 /nfs/dbraw/zinc/75/39/68/487753968.db2.gz PQDOBULGOVETDX-WCQGTBRESA-N 1 0 224.348 1.809 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000155618838 487754781 /nfs/dbraw/zinc/75/47/81/487754781.db2.gz VTEOZYWPPLBJBH-UWVGGRQHSA-N 1 0 246.314 1.420 10 0 BDAERO CC[C@H]([NH2+]C[C@H](O)COCCOC)C(C)C ZINC000234050774 487757937 /nfs/dbraw/zinc/75/79/37/487757937.db2.gz SITZMEYFTVSGMR-RYUDHWBXSA-N 1 0 233.352 1.035 10 0 BDAERO CC[C@@H]1CN(c2nc(C)cnc2C)CC[C@H]1[NH3+] ZINC000251641378 487781082 /nfs/dbraw/zinc/78/10/82/487781082.db2.gz FYSCHELKWQWVDK-VXGBXAGGSA-N 1 0 234.347 1.657 10 0 BDAERO CC[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251650602 487781104 /nfs/dbraw/zinc/78/11/04/487781104.db2.gz GMFFBDPOEMIONP-QJPTWQEYSA-N 1 0 224.348 1.762 10 0 BDAERO COc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000385360378 487782924 /nfs/dbraw/zinc/78/29/24/487782924.db2.gz JMOLQOOUTOXMPP-ZJUUUORDSA-N 1 0 249.314 1.546 10 0 BDAERO Cc1ccc(CN(C)C[C@@H]2CCC[NH2+]C2)nc1 ZINC000234329318 487803048 /nfs/dbraw/zinc/80/30/48/487803048.db2.gz JBFOQUNDWILWPW-CYBMUJFWSA-N 1 0 233.359 1.821 10 0 BDAERO CC[C@@H]1CN(c2ncc(Cl)cn2)CC[C@H]1[NH3+] ZINC000251905737 487806941 /nfs/dbraw/zinc/80/69/41/487806941.db2.gz XGUUUWGEVZXCEJ-PSASIEDQSA-N 1 0 240.738 1.694 10 0 BDAERO CN(C)[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000229047269 487809824 /nfs/dbraw/zinc/80/98/24/487809824.db2.gz XABSVIUTSOLKCC-UONOGXRCSA-N 1 0 240.391 1.564 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089450012 487816901 /nfs/dbraw/zinc/81/69/01/487816901.db2.gz ROYXYRBXGHFZHS-MNOVXSKESA-N 1 0 233.315 1.704 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1cccnc1 ZINC000089450159 487817076 /nfs/dbraw/zinc/81/70/76/487817076.db2.gz UBQWBGZNDZDJHI-NEPJUHHUSA-N 1 0 233.315 1.073 10 0 BDAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cn[nH]c1 ZINC000678275656 487817371 /nfs/dbraw/zinc/81/73/71/487817371.db2.gz XBHORAMKKROJKA-AAEUAGOBSA-N 1 0 234.347 1.468 10 0 BDAERO CN(Cc1ccncc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450817 487817764 /nfs/dbraw/zinc/81/77/64/487817764.db2.gz NMUVZQHEPFZCSM-QWHCGFSZSA-N 1 0 247.342 1.415 10 0 BDAERO C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252186434 487820972 /nfs/dbraw/zinc/82/09/72/487820972.db2.gz QWZCBYIYXVZZBF-WOPDTQHZSA-N 1 0 224.348 1.762 10 0 BDAERO CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])c1cccnc1 ZINC000089462853 487823163 /nfs/dbraw/zinc/82/31/63/487823163.db2.gz HGADXMJUWRVJSC-PWSUYJOCSA-N 1 0 233.315 1.419 10 0 BDAERO CCCOc1cccc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000676234785 487826121 /nfs/dbraw/zinc/82/61/21/487826121.db2.gz OCCIZOPYPCFOLT-CYBMUJFWSA-N 1 0 248.326 1.454 10 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CAQQFOHCQNPCSC-GFCCVEGCSA-N 1 0 210.321 1.433 10 0 BDAERO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@H]1O ZINC000253097208 487849871 /nfs/dbraw/zinc/84/98/71/487849871.db2.gz RJYKIIGAGJXPIS-XVIXHAIJSA-N 1 0 239.359 1.525 10 0 BDAERO COC[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000234720204 487868236 /nfs/dbraw/zinc/86/82/36/487868236.db2.gz ZJDBBNZOIPRVIH-NWDGAFQWSA-N 1 0 242.363 1.245 10 0 BDAERO CCN1C[C@H]([NH2+][C@H](C)COC(C)C)[C@@H](C)C1 ZINC000309943437 487870450 /nfs/dbraw/zinc/87/04/50/487870450.db2.gz CLRQDDZLOYGNNH-XQQFMLRXSA-N 1 0 228.380 1.730 10 0 BDAERO COCCC1(CNC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000234760663 487872297 /nfs/dbraw/zinc/87/22/97/487872297.db2.gz KWMMGSRMPKVSKT-NSHDSACASA-N 1 0 242.363 1.293 10 0 BDAERO Cc1cnc([C@@H](C)[NH2+]CC[C@@H]2CCNC2=O)o1 ZINC000396054653 487893459 /nfs/dbraw/zinc/89/34/59/487893459.db2.gz VUHAOGVNEMXWTM-NXEZZACHSA-N 1 0 237.303 1.160 10 0 BDAERO CC(C)[C@H]1C[NH2+]CCN1c1ccc(F)cn1 ZINC000083352816 487905695 /nfs/dbraw/zinc/90/56/95/487905695.db2.gz DTKVKMDNNFPBIH-LLVKDONJSA-N 1 0 223.295 1.655 10 0 BDAERO Cc1ccnc(N2CC[NH2+]C[C@H]2C(C)C)c1 ZINC000083350130 487905848 /nfs/dbraw/zinc/90/58/48/487905848.db2.gz COHHRLKOPLJYSO-LBPRGKRZSA-N 1 0 219.332 1.824 10 0 BDAERO Cc1nnc(N2CC[NH2+]C[C@@H]2C(C)C)s1 ZINC000083354959 487906223 /nfs/dbraw/zinc/90/62/23/487906223.db2.gz TVOFDGUZRDIVQY-SECBINFHSA-N 1 0 226.349 1.281 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000668541700 487912574 /nfs/dbraw/zinc/91/25/74/487912574.db2.gz UWJLXZHIGGVGHM-YFKTTZPYSA-N 1 0 239.363 1.554 10 0 BDAERO CCC1(NC(=O)C2CCC([NH3+])CC2)CCC1 ZINC000157670565 487918097 /nfs/dbraw/zinc/91/80/97/487918097.db2.gz RAPWKBPEBFTMFU-UHFFFAOYSA-N 1 0 224.348 1.953 10 0 BDAERO CC(C)Oc1cncc(N2CCC[C@H]([NH3+])C2)n1 ZINC000083644594 487926451 /nfs/dbraw/zinc/92/64/51/487926451.db2.gz MIPGAEMUIZONTD-JTQLQIEISA-N 1 0 236.319 1.191 10 0 BDAERO CCCc1nsc(NC[C@H](C)[NH3+])n1 ZINC000083670787 487926468 /nfs/dbraw/zinc/92/64/68/487926468.db2.gz KQSLKTBCXYBKMH-LURJTMIESA-N 1 0 200.311 1.250 10 0 BDAERO C(Nc1nc(C2CC2)ns1)[C@@H]1CCCC[NH2+]1 ZINC000083670166 487926547 /nfs/dbraw/zinc/92/65/47/487926547.db2.gz FEGAWXJLEFPZSA-VIFPVBQESA-N 1 0 238.360 1.970 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc2nccnc2n1 ZINC000229611919 487930663 /nfs/dbraw/zinc/93/06/63/487930663.db2.gz RPFVWRAXLKFOPI-ZJUUUORDSA-N 1 0 243.314 1.577 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc([C@H]2CCCO2)no1 ZINC000083715321 487932351 /nfs/dbraw/zinc/93/23/51/487932351.db2.gz AAWQZMYXYFKVEP-RKDXNWHRSA-N 1 0 225.292 1.447 10 0 BDAERO Cc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000383408216 487937244 /nfs/dbraw/zinc/93/72/44/487937244.db2.gz CKQRDMAVSBSYDR-LLVKDONJSA-N 1 0 218.304 1.069 10 0 BDAERO CCOc1cc(N(C)C2CC([NH3+])C2)nc(C)n1 ZINC000384788073 487939793 /nfs/dbraw/zinc/93/97/93/487939793.db2.gz VDBMXDGFGZKVIP-UHFFFAOYSA-N 1 0 236.319 1.110 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@@H]1[NH3+] ZINC000235376508 487947191 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CCC[C@H](C(=O)N[C@H](C)CSC)[NH+](C)C ZINC000162214554 323600867 /nfs/dbraw/zinc/60/08/67/323600867.db2.gz NRSJQGVANJDEDG-NXEZZACHSA-N 1 0 232.393 1.584 10 0 BDAERO c1nc2c([nH]1)C1(CCSCC1)[NH2+]CC2 ZINC000257814484 323947787 /nfs/dbraw/zinc/94/77/87/323947787.db2.gz AIQPPUSMQAKALG-UHFFFAOYSA-N 1 0 209.318 1.278 10 0 BDAERO CC[C@]1(C)C[NH2+]C[C@@H]1c1cc(C)n(C)n1 ZINC000536951754 323957183 /nfs/dbraw/zinc/95/71/83/323957183.db2.gz VOCQXZKTNIGFHU-ZYHUDNBSSA-N 1 0 207.321 1.832 10 0 BDAERO CC(C)(C)C(=O)N[C@H]1CCCCC[NH2+]C1 ZINC000536960663 323973946 /nfs/dbraw/zinc/97/39/46/323973946.db2.gz RLHWZYJNMIKIGO-JTQLQIEISA-N 1 0 212.337 1.681 10 0 BDAERO C[C@H](CNC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000083908243 487962224 /nfs/dbraw/zinc/96/22/24/487962224.db2.gz OEPCLCRXMQDALU-OIKLOGQESA-N 1 0 224.348 1.666 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCC1CC1 ZINC000083894365 487962304 /nfs/dbraw/zinc/96/23/04/487962304.db2.gz IUWCOOAGNCAJJJ-NSHDSACASA-N 1 0 210.321 1.292 10 0 BDAERO CCC[C@@H](CN[C@H]1CC[NH2+]C1)OCC ZINC000530207320 324524896 /nfs/dbraw/zinc/52/48/96/324524896.db2.gz DDUJOKFSRVVSCN-QWRGUYRKSA-N 1 0 200.326 1.143 10 0 BDAERO c1ccc2oc(NC[C@H]3COCC[NH2+]3)nc2c1 ZINC000116627962 487964739 /nfs/dbraw/zinc/96/47/39/487964739.db2.gz GOSJNOOXXPBGIR-VIFPVBQESA-N 1 0 233.271 1.228 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)NC2CC2)[C@@H](C)C1 ZINC000130796305 325088795 /nfs/dbraw/zinc/08/87/95/325088795.db2.gz RMTHCVPLUWWUBW-ONGXEEELSA-N 1 0 225.336 1.177 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@H](COC)C(C)C ZINC000544414870 325141937 /nfs/dbraw/zinc/14/19/37/325141937.db2.gz INZUBEUNTZKIRQ-LLVKDONJSA-N 1 0 240.351 1.367 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2ncc(C)c(C)n2)C1 ZINC000132688053 325238240 /nfs/dbraw/zinc/23/82/40/325238240.db2.gz AVNLTHWJEQYKCL-LBPRGKRZSA-N 1 0 234.347 1.990 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[C@H](C)O1 ZINC000550067255 325522412 /nfs/dbraw/zinc/52/24/12/325522412.db2.gz NQZAZPKYXSCYHP-OSUNSFLBSA-N 1 0 240.347 1.199 10 0 BDAERO CC(C)n1cncc1C[NH2+]CC1CC(O)C1 ZINC000085188454 325592498 /nfs/dbraw/zinc/59/24/98/325592498.db2.gz HGKNOXMNLWQMAN-UHFFFAOYSA-N 1 0 223.320 1.325 10 0 BDAERO Cc1nnc(N2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000565882427 325965894 /nfs/dbraw/zinc/96/58/94/325965894.db2.gz ARAZSUFXPGTJAC-NSHDSACASA-N 1 0 238.360 1.426 10 0 BDAERO COC(=O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566666220 326072479 /nfs/dbraw/zinc/07/24/79/326072479.db2.gz ZGCRRJCWZLACGF-GHMZBOCLSA-N 1 0 242.363 1.163 10 0 BDAERO CCC(C)(C)CC[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000566743855 326079453 /nfs/dbraw/zinc/07/94/53/326079453.db2.gz YDRHQSQLUHKBIE-STQMWFEESA-N 1 0 240.391 1.875 10 0 BDAERO CCC[C@@H](C(=O)N(CC)CCOCC)[NH+](C)C ZINC000153595795 326103022 /nfs/dbraw/zinc/10/30/22/326103022.db2.gz KNKWINVTALFWOI-LBPRGKRZSA-N 1 0 244.379 1.602 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCOC[C@H]1CCCO1 ZINC000568990645 326385248 /nfs/dbraw/zinc/38/52/48/326385248.db2.gz FQUXWIYRDQLTQW-NEPJUHHUSA-N 1 0 245.363 1.179 10 0 BDAERO CC1CC(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)C1 ZINC000569095220 326389549 /nfs/dbraw/zinc/38/95/49/326389549.db2.gz MRUDKUMVXKVWNB-AUCPDYOHSA-N 1 0 224.348 1.535 10 0 BDAERO CC[C@@H](C(=O)N1CCS[C@@H](C)C1)[NH+](C)C ZINC000163306712 326399981 /nfs/dbraw/zinc/39/99/81/326399981.db2.gz QAWRACDIXATMBK-UWVGGRQHSA-N 1 0 230.377 1.291 10 0 BDAERO C[C@H](C[C@H](C)O)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000164554066 326414109 /nfs/dbraw/zinc/41/41/09/326414109.db2.gz DFEARARVJVWBDY-IIRVCBMXSA-N 1 0 227.348 1.549 10 0 BDAERO CC1CC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000158800536 487976741 /nfs/dbraw/zinc/97/67/41/487976741.db2.gz MJWABLHQAARATP-YIYTYNFBSA-N 1 0 210.321 1.276 10 0 BDAERO C[C@H](CC[NH3+])Nc1ncnc2c1CCCC2 ZINC000134271577 487977195 /nfs/dbraw/zinc/97/71/95/487977195.db2.gz SIRQPMURMDAMSS-SECBINFHSA-N 1 0 220.320 1.505 10 0 BDAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cnccn1)CC2 ZINC000220405499 487981127 /nfs/dbraw/zinc/98/11/27/487981127.db2.gz PPGOMVLQQBLNRE-GXTWGEPZSA-N 1 0 247.342 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10 0 BDAERO CC[C@H](C)N(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309269 488043183 /nfs/dbraw/zinc/04/31/83/488043183.db2.gz TWZHLSPAYKLNEU-AXFHLTTASA-N 1 0 212.337 1.618 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CCCC1 ZINC000084308597 488043277 /nfs/dbraw/zinc/04/32/77/488043277.db2.gz CIBQQXLWDGLHET-ONGXEEELSA-N 1 0 210.321 1.420 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccnc1 ZINC000084308716 488042999 /nfs/dbraw/zinc/04/29/99/488042999.db2.gz ABMMPQNDYRFDHP-GXSJLCMTSA-N 1 0 219.288 1.395 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309595 488044188 /nfs/dbraw/zinc/04/41/88/488044188.db2.gz HBXQUZYZLLGYBN-JLLWLGSASA-N 1 0 224.348 1.618 10 0 BDAERO CN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084309752 488044211 /nfs/dbraw/zinc/04/42/11/488044211.db2.gz JZKDNWKOYOAYPI-SFYZADRCSA-N 1 0 238.253 1.382 10 0 BDAERO C[C@@H]1CSCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084311157 488044890 /nfs/dbraw/zinc/04/48/90/488044890.db2.gz RFSHDNLLNDTQPF-MXWKQRLJSA-N 1 0 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582579891 /nfs/dbraw/zinc/57/98/91/582579891.db2.gz MNPDGNSFWZIEOX-PWSUYJOCSA-N 1 0 215.300 1.781 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@H]2c2cccs2)N1 ZINC000235695496 582603086 /nfs/dbraw/zinc/60/30/86/582603086.db2.gz NEKHQQHYTYXEMT-IUCAKERBSA-N 1 0 221.329 1.843 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@H]2[C@@H]1CCCO1 ZINC000236046175 582637260 /nfs/dbraw/zinc/63/72/60/582637260.db2.gz FOEKNENEJFFMSE-UWVGGRQHSA-N 1 0 207.277 1.727 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@@H]2[C@H]1CCCO1 ZINC000236045379 582637700 /nfs/dbraw/zinc/63/77/00/582637700.db2.gz FOEKNENEJFFMSE-NXEZZACHSA-N 1 0 207.277 1.727 10 0 BDAERO [NH3+]Cc1ccnc2nc3c(n21)CCCC3 ZINC000236214015 582641503 /nfs/dbraw/zinc/64/15/03/582641503.db2.gz BMHXNVGUPISWAN-UHFFFAOYSA-N 1 0 202.261 1.067 10 0 BDAERO Nc1[nH+]ccn1Cc1cc(F)cc(F)c1 ZINC000236347659 582652637 /nfs/dbraw/zinc/65/26/37/582652637.db2.gz QZXAZGYQWGYKSM-UHFFFAOYSA-N 1 0 209.199 1.792 10 0 BDAERO C[C@@H]1COC[C@@H]([C@H]2CCCCCC2=O)[NH2+]1 ZINC000253185919 582675044 /nfs/dbraw/zinc/67/50/44/582675044.db2.gz XKEIRTQADYNULJ-MXWKQRLJSA-N 1 0 211.305 1.513 10 0 BDAERO COP(=O)(C[C@@H]1C[C@H](C)CC[NH2+]1)OC ZINC000308508984 582687575 /nfs/dbraw/zinc/68/75/75/582687575.db2.gz BEDJAKSXWHFMFH-BDAKNGLRSA-N 1 0 221.237 1.860 10 0 BDAERO COC(=O)c1cc(F)c2c(c1)C[NH2+]CCO2 ZINC000725259943 582804438 /nfs/dbraw/zinc/80/44/38/582804438.db2.gz KVUPOXYHOBKQPE-UHFFFAOYSA-N 1 0 225.219 1.094 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000111690362 582818110 /nfs/dbraw/zinc/81/81/10/582818110.db2.gz ZRWWQGIQXJLBIE-CQSZACIVSA-N 1 0 232.327 1.925 10 0 BDAERO C[C@H](C(=O)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000702912459 582929877 /nfs/dbraw/zinc/92/98/77/582929877.db2.gz SLERTPYLKJQPKY-BQBZGAKWSA-N 1 0 209.211 1.896 10 0 BDAERO CCCS(=O)(=O)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000081941704 583162241 /nfs/dbraw/zinc/16/22/41/583162241.db2.gz GQFKJZDPPNLILE-UWVGGRQHSA-N 1 0 233.377 1.717 10 0 BDAERO Cc1noc2ncnc(NC[C@H]3CCC[NH2+]3)c12 ZINC000071194734 583209936 /nfs/dbraw/zinc/20/99/36/583209936.db2.gz ZIEBEKNUHVNCMF-MRVPVSSYSA-N 1 0 233.275 1.090 10 0 BDAERO CCn1nccc1[C@@H]1OCCC[C@@H]1C[NH3+] ZINC000399859208 583213248 /nfs/dbraw/zinc/21/32/48/583213248.db2.gz VYEOVTOVVBEVJI-MWLCHTKSSA-N 1 0 209.293 1.329 10 0 BDAERO Cc1ccnc(N)c1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000894031194 583277572 /nfs/dbraw/zinc/27/75/72/583277572.db2.gz QREXEXSSQHVLCT-NSHDSACASA-N 1 0 235.331 1.177 10 0 BDAERO Cc1ccc(C)c2c1NC(=O)[C@H]2CC[NH3+] ZINC000082452202 583594777 /nfs/dbraw/zinc/59/47/77/583594777.db2.gz AXJKYXPWOXLGRH-VIFPVBQESA-N 1 0 204.273 1.688 10 0 BDAERO NC1=[NH+]CC[C@@H](c2cc(F)cc(F)c2)N1 ZINC000148365602 583922309 /nfs/dbraw/zinc/92/23/09/583922309.db2.gz CHYYGHZPGYTTFN-VIFPVBQESA-N 1 0 211.215 1.314 10 0 BDAERO C[NH2+]Cc1csc([C@@H](O)C(C)C)n1 ZINC000757129706 586426623 /nfs/dbraw/zinc/42/66/23/586426623.db2.gz NXPOZLVEATXOFH-QMMMGPOBSA-N 1 0 200.307 1.552 10 0 BDAERO CCC[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757132026 586426033 /nfs/dbraw/zinc/42/60/33/586426033.db2.gz SRAQJCFIGKPPQQ-MRVPVSSYSA-N 1 0 200.307 1.478 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1[C@@H]2C[NH2+]CCCC[C@@H]21 ZINC000757136729 586426986 /nfs/dbraw/zinc/42/69/86/586426986.db2.gz FILVSSIFFOJLDV-HBNTYKKESA-N 1 0 225.332 1.964 10 0 BDAERO C1CSC[C@@]2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757138078 586427679 /nfs/dbraw/zinc/42/76/79/586427679.db2.gz AKLFQVMDGARXSA-LBPRGKRZSA-N 1 0 243.372 1.626 10 0 BDAERO Fc1ccccc1[C@H]1CCO[C@@]2(CC[NH2+]C2)N1 ZINC000757144063 586427975 /nfs/dbraw/zinc/42/79/75/586427975.db2.gz FYQFQAMTXOUUCK-CHWSQXEVSA-N 1 0 236.290 1.566 10 0 BDAERO [NH3+]C[C@H]1CCN1Cc1cccc(F)c1F ZINC000757144176 586428064 /nfs/dbraw/zinc/42/80/64/586428064.db2.gz ICXLWZUPLDUBNU-SECBINFHSA-N 1 0 212.243 1.498 10 0 BDAERO COC(=O)C1(c2ccc(C)c(OC)c2)CC([NH3+])C1 ZINC000757178538 586433574 /nfs/dbraw/zinc/43/35/74/586433574.db2.gz YPZXOIPGMXBZPM-UHFFFAOYSA-N 1 0 249.310 1.536 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cscn1 ZINC000757187487 586434609 /nfs/dbraw/zinc/43/46/09/586434609.db2.gz HJYFDMBHYDLEFB-YUMQZZPRSA-N 1 0 226.301 1.009 10 0 BDAERO COC(=O)[C@@H](C[NH3+])C1CCC(F)(F)CC1 ZINC000757192316 586436065 /nfs/dbraw/zinc/43/60/65/586436065.db2.gz PUBWYXIMYDORKM-QMMMGPOBSA-N 1 0 221.247 1.560 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2[NH2+]CCC[C@@H]2C(=O)[O-])cc1 ZINC000757210796 586438754 /nfs/dbraw/zinc/43/87/54/586438754.db2.gz HDURMXLRLQQVEF-RYUDHWBXSA-N 1 0 234.299 1.271 10 0 BDAERO CC(=O)c1cccc([C@@H]2C[NH2+]C[C@H](N)C2)c1 ZINC000757212498 586439224 /nfs/dbraw/zinc/43/92/24/586439224.db2.gz IPXBMZFTKIKXKY-QWHCGFSZSA-N 1 0 218.300 1.293 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2cccc3cc[nH]c32)NC1 ZINC000757213633 586439958 /nfs/dbraw/zinc/43/99/58/586439958.db2.gz LGBOEFDMKBOAFS-PWSUYJOCSA-N 1 0 215.300 1.920 10 0 BDAERO [NH3+][C@@H]1CC[C@H](c2cccc3cc[nH]c32)NC1 ZINC000757213635 586439968 /nfs/dbraw/zinc/43/99/68/586439968.db2.gz LGBOEFDMKBOAFS-ZYHUDNBSSA-N 1 0 215.300 1.920 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2C[C@H](C(=O)[O-])CC[NH2+]2)cc1 ZINC000757214517 586440215 /nfs/dbraw/zinc/44/02/15/586440215.db2.gz MOYNPDCRKUVXEV-NEPJUHHUSA-N 1 0 234.299 1.271 10 0 BDAERO C[C@@H]1CN[C@H](c2ccc(C=O)s2)[C@H]([NH3+])C1 ZINC000757216495 586441223 /nfs/dbraw/zinc/44/12/23/586441223.db2.gz PVGZMZFVMABPSF-NMLBEHRDSA-N 1 0 224.329 1.558 10 0 BDAERO CC(C)(C)n1cc([C@H]2CC[C@H](CN)[NH2+]C2)cn1 ZINC000757227088 586442541 /nfs/dbraw/zinc/44/25/41/586442541.db2.gz AWFJZYPERWUJHL-CMPLNLGQSA-N 1 0 236.363 1.432 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1CC[NH2+][C@@H](CN)C1 ZINC000757239510 586444321 /nfs/dbraw/zinc/44/43/21/586444321.db2.gz UKMJQEHCVUGBCN-ZYHUDNBSSA-N 1 0 219.332 1.372 10 0 BDAERO Cc1cc(N[C@H]2COc3ccccc32)nc(N)[nH+]1 ZINC000110436841 588665938 /nfs/dbraw/zinc/66/59/38/588665938.db2.gz NGNPJAKTBFZUAT-JTQLQIEISA-N 1 0 242.282 1.913 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)nc2)C1 ZINC000122143208 589557352 /nfs/dbraw/zinc/55/73/52/589557352.db2.gz FCGIGFZMAQGYRI-HTQZYQBOSA-N 1 0 239.706 1.801 10 0 BDAERO Cc1cc(C(C)C)nc(N[C@@H](C)C[NH3+])n1 ZINC000122568430 589604870 /nfs/dbraw/zinc/60/48/70/589604870.db2.gz MWEXIIBFOXSSIP-VIFPVBQESA-N 1 0 208.309 1.668 10 0 BDAERO CCNC(=S)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000124315723 589974920 /nfs/dbraw/zinc/97/49/20/589974920.db2.gz UCFALBUPAXYXKF-QWRGUYRKSA-N 1 0 241.404 1.439 10 0 BDAERO [NH3+][C@H](CCO)c1c(F)cccc1Cl ZINC000019784053 589978851 /nfs/dbraw/zinc/97/88/51/589978851.db2.gz ZFOTYJZQQJZTLY-MRVPVSSYSA-N 1 0 203.644 1.861 10 0 BDAERO CCC[C@@H](OC)c1noc(C[C@@H](C)[NH3+])n1 ZINC000124457709 590013456 /nfs/dbraw/zinc/01/34/56/590013456.db2.gz HRNOLNUVJPBHMX-HTQZYQBOSA-N 1 0 213.281 1.447 10 0 BDAERO [NH3+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000020216681 590084887 /nfs/dbraw/zinc/08/48/87/590084887.db2.gz UJBTVWSRZMUEEX-MRVPVSSYSA-N 1 0 234.068 1.580 10 0 BDAERO CC(C)[C@@H](C)NC(=O)CCCCC[NH3+] ZINC000020523502 590118588 /nfs/dbraw/zinc/11/85/88/590118588.db2.gz DMKOPWWEBSUKBV-SNVBAGLBSA-N 1 0 200.326 1.666 10 0 BDAERO C[C@@H]1CCCN(c2cncc(Cl)n2)[C@@H]1C[NH3+] ZINC000126491071 590321098 /nfs/dbraw/zinc/32/10/98/590321098.db2.gz KXXNECLEXWHNOJ-RKDXNWHRSA-N 1 0 240.738 1.694 10 0 BDAERO [NH3+][C@H](CNc1cncc(Cl)n1)C1CC1 ZINC000126513309 590323473 /nfs/dbraw/zinc/32/34/73/590323473.db2.gz NGNIRHUUDXDTID-SSDOTTSWSA-N 1 0 212.684 1.279 10 0 BDAERO C[C@@H]1CN(c2cncc(Cl)n2)CC[C@@H]1[NH3+] ZINC000126508194 590323630 /nfs/dbraw/zinc/32/36/30/590323630.db2.gz MECBOUNOZYRFPU-SFYZADRCSA-N 1 0 226.711 1.304 10 0 BDAERO [NH3+]C[C@@H]1CCCN1c1cncc(Cl)n1 ZINC000126516432 590324201 /nfs/dbraw/zinc/32/42/01/590324201.db2.gz TUCLYDFDUSPLIX-ZETCQYMHSA-N 1 0 212.684 1.058 10 0 BDAERO C[C@H](O)c1ccc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)nc1 ZINC000213285310 591460351 /nfs/dbraw/zinc/46/03/51/591460351.db2.gz SHINVAZBEYOOPP-MDZLAQPJSA-N 1 0 249.358 1.521 10 0 BDAERO C[C@H](O)c1ccc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)nc1 ZINC000213285365 591460365 /nfs/dbraw/zinc/46/03/65/591460365.db2.gz SHINVAZBEYOOPP-GVXVVHGQSA-N 1 0 249.358 1.521 10 0 BDAERO CO[C@@H](c1noc(CC[C@@H](C)[NH3+])n1)C1CC1 ZINC000131234223 591574192 /nfs/dbraw/zinc/57/41/92/591574192.db2.gz UZOWZVAZEYVVEO-GMSGAONNSA-N 1 0 225.292 1.447 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CCn2ccccc2=O)C1 ZINC000214480805 591577462 /nfs/dbraw/zinc/57/74/62/591577462.db2.gz FENHNSLTSVVOIM-ZDUSSCGKSA-N 1 0 248.326 1.149 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](Cc2ccoc2)C[C@@H]1C ZINC000219826780 592250220 /nfs/dbraw/zinc/25/02/20/592250220.db2.gz YFWMQNWQIYPFBF-GXSJLCMTSA-N 1 0 223.272 1.521 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C1CC1 ZINC000220981274 592385382 /nfs/dbraw/zinc/38/53/82/592385382.db2.gz QYDOHYXDUWQTFM-CHWSQXEVSA-N 1 0 226.364 1.173 10 0 BDAERO COC1CC([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000221189006 592398659 /nfs/dbraw/zinc/39/86/59/592398659.db2.gz VSSCOXLRTZIUNX-UHFFFAOYSA-N 1 0 225.263 1.798 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000300229739 592504236 /nfs/dbraw/zinc/50/42/36/592504236.db2.gz ZXHKLXRSEUAORN-YNEHKIRRSA-N 1 0 229.364 1.942 10 0 BDAERO [NH3+]C1CC(C(=O)NCc2ccccc2F)C1 ZINC000258669003 635185456 /nfs/dbraw/zinc/18/54/56/635185456.db2.gz ICHLMTOBKXPBFV-UHFFFAOYSA-N 1 0 222.263 1.179 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC000094996445 635402263 /nfs/dbraw/zinc/40/22/63/635402263.db2.gz GSJRKBKUNHDVNN-KOLCDFICSA-N 1 0 211.305 1.527 10 0 BDAERO CC(C)C[C@H](O)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000310214088 635405076 /nfs/dbraw/zinc/40/50/76/635405076.db2.gz DADFFOKFJRUNSZ-NEPJUHHUSA-N 1 0 242.363 1.042 10 0 BDAERO CCCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084520 635469696 /nfs/dbraw/zinc/46/96/96/635469696.db2.gz VODMDACVYONBMI-VIFPVBQESA-N 1 0 209.293 1.564 10 0 BDAERO CCC[C@@H](OC)c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000233298857 635532223 /nfs/dbraw/zinc/53/22/23/635532223.db2.gz LWUURLOUUOXTKB-OPRDCNLKSA-N 1 0 239.319 1.880 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178587066 635535881 /nfs/dbraw/zinc/53/58/81/635535881.db2.gz PZNQRDVMCRFJHU-GXTWGEPZSA-N 1 0 246.354 1.672 10 0 BDAERO [NH3+]CCn1ncc2cccc(Br)c21 ZINC000075883823 631282988 /nfs/dbraw/zinc/28/29/88/631282988.db2.gz ZWUDRMMORSRMDN-UHFFFAOYSA-N 1 0 240.104 1.758 10 0 BDAERO CO[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)C12CCC2 ZINC000308367815 631305132 /nfs/dbraw/zinc/30/51/32/631305132.db2.gz MLDRUNHCITZNOQ-KIDURHIOSA-N 1 0 225.332 1.305 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)/C=C\c1ccco1 ZINC000308809200 631519224 /nfs/dbraw/zinc/51/92/24/631519224.db2.gz PREPBIHRJWXYDQ-SSJHQANKSA-N 1 0 208.261 1.017 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000234434828 631523136 /nfs/dbraw/zinc/52/31/36/631523136.db2.gz IDCMZQZDEMCEMK-SSDOTTSWSA-N 1 0 227.695 1.590 10 0 BDAERO CC(C)C[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000308810123 631664107 /nfs/dbraw/zinc/66/41/07/631664107.db2.gz PWIDYPOATOZCJD-MNOVXSKESA-N 1 0 217.353 1.390 10 0 BDAERO CC(=O)[C@H]1CCC[N@@H+](CCC[C@H](C)O)C1 ZINC000308819277 631700934 /nfs/dbraw/zinc/70/09/34/631700934.db2.gz BVPAFOVZDHTSGJ-JQWIXIFHSA-N 1 0 213.321 1.448 10 0 BDAERO CC[NH2+]CC(=O)NC1CCC(CC)CC1 ZINC000044651534 631818403 /nfs/dbraw/zinc/81/84/03/631818403.db2.gz RLBRLLDSKTVLAU-UHFFFAOYSA-N 1 0 212.337 1.681 10 0 BDAERO C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@H](C)O ZINC000309062892 631830266 /nfs/dbraw/zinc/83/02/66/631830266.db2.gz XSHKTSJSVNBGIP-MXWKQRLJSA-N 1 0 211.309 1.021 10 0 BDAERO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCn2ncnc21 ZINC000309119372 631890522 /nfs/dbraw/zinc/89/05/22/631890522.db2.gz MXWVAZYCWXRVGO-UTLUCORTSA-N 1 0 206.293 1.501 10 0 BDAERO COc1ccc(CC(=O)NCC2CC([NH3+])C2)cc1 ZINC000091524299 632049891 /nfs/dbraw/zinc/04/98/91/632049891.db2.gz YPDFAOYOMAGBNS-UHFFFAOYSA-N 1 0 248.326 1.091 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccc3c(c2)CCO3)C1 ZINC000091525220 632051687 /nfs/dbraw/zinc/05/16/87/632051687.db2.gz LUVHRZKWOVUGCS-UHFFFAOYSA-N 1 0 246.310 1.089 10 0 BDAERO CC[C@H]1CN(c2ncnc3c2CCC3)CC[C@H]1[NH3+] ZINC000251899877 635707828 /nfs/dbraw/zinc/70/78/28/635707828.db2.gz WSQYBBBADHNXSZ-CMPLNLGQSA-N 1 0 246.358 1.529 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1cc(F)ncn1 ZINC000252720580 635712319 /nfs/dbraw/zinc/71/23/19/635712319.db2.gz LECOLBNVGHTJBR-ZJUUUORDSA-N 1 0 236.294 1.289 10 0 BDAERO C[C@H](C[NH3+])c1noc(CCc2ccccc2)n1 ZINC000054158834 635775719 /nfs/dbraw/zinc/77/57/19/635775719.db2.gz DCGCRIJSHDIBOA-SNVBAGLBSA-N 1 0 231.299 1.917 10 0 BDAERO C[C@H](C[NH3+])c1noc(-c2cccnc2)n1 ZINC000054158730 635776451 /nfs/dbraw/zinc/77/64/51/635776451.db2.gz GYXCINAHXJYERV-SSDOTTSWSA-N 1 0 204.233 1.194 10 0 BDAERO C[C@@H]([NH3+])CCc1nc([C@H]2CC2(C)C)no1 ZINC000235167468 632427470 /nfs/dbraw/zinc/42/74/70/632427470.db2.gz GTSOQVIXVPOGBV-HTQZYQBOSA-N 1 0 209.293 1.863 10 0 BDAERO C[C@@H](C[NH3+])c1noc(Cc2ccco2)n1 ZINC000309520605 632467679 /nfs/dbraw/zinc/46/76/79/632467679.db2.gz ZYNSNOCZUFKHOZ-ZETCQYMHSA-N 1 0 207.233 1.316 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000162006541 632485899 /nfs/dbraw/zinc/48/58/99/632485899.db2.gz JKSANGUNMWQOGI-MNOVXSKESA-N 1 0 226.364 1.784 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCCC[C@@H]2C ZINC000229206065 632527240 /nfs/dbraw/zinc/52/72/40/632527240.db2.gz KNDGVTQLVSSNPZ-NHCYSSNCSA-N 1 0 211.305 1.575 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@@H](C)C2 ZINC000229212896 632531007 /nfs/dbraw/zinc/53/10/07/632531007.db2.gz NVNMNARZCFNKND-JFGNBEQYSA-N 1 0 211.305 1.575 10 0 BDAERO C[C@H]1C[C@@H]1c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000235272554 632599272 /nfs/dbraw/zinc/59/92/72/632599272.db2.gz PQHKQPFWYVGYTM-UYXSQOIJSA-N 1 0 207.277 1.516 10 0 BDAERO Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]2CO)o1 ZINC000309717946 632655903 /nfs/dbraw/zinc/65/59/03/632655903.db2.gz UUTJGXPZDBKQLX-WDEREUQCSA-N 1 0 224.304 1.624 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C/c2cccs2)C[C@@H]1[NH3+] ZINC000235344331 632675224 /nfs/dbraw/zinc/67/52/24/632675224.db2.gz YCSZWYNRSXPYSG-IPFDCLDFSA-N 1 0 236.340 1.567 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000309957101 632686998 /nfs/dbraw/zinc/68/69/98/632686998.db2.gz IWSJGXRPZAGEQA-RKDXNWHRSA-N 1 0 219.288 1.422 10 0 BDAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000310020465 632694505 /nfs/dbraw/zinc/69/45/05/632694505.db2.gz NAXDHGBNTKDNIL-JQWIXIFHSA-N 1 0 222.336 1.874 10 0 BDAERO CCC[C@@H](C(=O)Nc1cn(C)nc1C)[NH+](C)C ZINC000179415993 632709700 /nfs/dbraw/zinc/70/97/00/632709700.db2.gz VXOCTELMFRMOGM-NSHDSACASA-N 1 0 238.335 1.397 10 0 BDAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CC[C@@H]1CCCO1 ZINC000310362053 632732550 /nfs/dbraw/zinc/73/25/50/632732550.db2.gz TZZWJBNUMLTJGO-WOPDTQHZSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@H]([NH2+]Cc1cccc(O)c1Cl)[C@H](C)O ZINC000339399220 635849294 /nfs/dbraw/zinc/84/92/94/635849294.db2.gz HIRGXAOXFFZMFS-SFYZADRCSA-N 1 0 229.707 1.905 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000309379402 632992177 /nfs/dbraw/zinc/99/21/77/632992177.db2.gz GHPBYJWIODAQFR-GFCCVEGCSA-N 1 0 221.304 1.253 10 0 BDAERO C[C@@H](C[NH3+])c1noc(CCC2CCC2)n1 ZINC000309404625 633017552 /nfs/dbraw/zinc/01/75/52/633017552.db2.gz HUWULKLDOFLSIP-QMMMGPOBSA-N 1 0 209.293 1.865 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10 0 BDAERO O=S1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000308895447 633826268 /nfs/dbraw/zinc/82/62/68/633826268.db2.gz ZDFRPCBEFPQSLH-YYLTUXFASA-N 1 0 227.373 1.676 10 0 BDAERO CCCCSCC(=O)NC[C@@H](C)[NH2+]C ZINC000308952984 633835860 /nfs/dbraw/zinc/83/58/60/633835860.db2.gz VXORFYUPGOIDST-SECBINFHSA-N 1 0 218.366 1.244 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)C(C)(Cl)Cl)C1 ZINC000180253666 633887354 /nfs/dbraw/zinc/88/73/54/633887354.db2.gz PJOUDOBQAYJIDB-ZETCQYMHSA-N 1 0 239.146 1.343 10 0 BDAERO C[NH2+]CCc1noc(-c2cccc(F)c2F)n1 ZINC000054214895 636146275 /nfs/dbraw/zinc/14/62/75/636146275.db2.gz JRTSJLITFKAALP-UHFFFAOYSA-N 1 0 239.225 1.777 10 0 BDAERO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C(C)(C)CO ZINC000309774720 634005160 /nfs/dbraw/zinc/00/51/60/634005160.db2.gz LKOQTEAQMSTZPE-NEPJUHHUSA-N 1 0 229.364 1.942 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000309977862 634012124 /nfs/dbraw/zinc/01/21/24/634012124.db2.gz UOUDXERZRSOONW-MAUMQABQSA-N 1 0 241.253 1.455 10 0 BDAERO C[C@H](c1noc([C@H]2CC[NH2+]C2)n1)C1CC1 ZINC000310041724 634108883 /nfs/dbraw/zinc/10/88/83/634108883.db2.gz YXPZGEMLDPHLGH-CBAPKCEASA-N 1 0 207.277 1.660 10 0 BDAERO C[C@@H]1CCCN(C[C@@H]2CCCO2)[C@@H]1C[NH3+] ZINC000053336011 634164649 /nfs/dbraw/zinc/16/46/49/634164649.db2.gz QFXCZVOIJBCJQU-GRYCIOLGSA-N 1 0 212.337 1.225 10 0 BDAERO CN(C(=O)C1CC([NH3+])C1)C1CCCCC1 ZINC000258604547 635171359 /nfs/dbraw/zinc/17/13/59/635171359.db2.gz AINJXQFQGHRKGO-UHFFFAOYSA-N 1 0 210.321 1.515 10 0 BDAERO Cc1ccc(N(C)C(=O)C2CC([NH3+])C2)cc1 ZINC000258657292 635182015 /nfs/dbraw/zinc/18/20/15/635182015.db2.gz GRUKNAMLKQDNPE-UHFFFAOYSA-N 1 0 218.300 1.695 10 0 BDAERO C[C@@H]([NH2+]Cc1scnc1C1CC1)[C@H](C)O ZINC000336754535 635281392 /nfs/dbraw/zinc/28/13/92/635281392.db2.gz IGYJSOYKKWGTKC-SFYZADRCSA-N 1 0 226.345 1.879 10 0 BDAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@@H](C)O ZINC000336776471 635288144 /nfs/dbraw/zinc/28/81/44/635288144.db2.gz FXNZXZRWIRQGQO-KXUCPTDWSA-N 1 0 231.336 1.466 10 0 BDAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@H](O)C1CC1 ZINC000251767843 635618536 /nfs/dbraw/zinc/61/85/36/635618536.db2.gz MFJJCRFWKADSEO-XBFCOCLRSA-N 1 0 238.375 1.316 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccnc32)C1 ZINC000299928955 635892914 /nfs/dbraw/zinc/89/29/14/635892914.db2.gz LZLLFDYFPZJYAO-UPJWGTAASA-N 1 0 232.327 1.962 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000143959383 636349229 /nfs/dbraw/zinc/34/92/29/636349229.db2.gz QRPKWKHMIUWDBI-NEPJUHHUSA-N 1 0 219.284 1.553 10 0 BDAERO Cc1nsc(N2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000086887202 636891225 /nfs/dbraw/zinc/89/12/25/636891225.db2.gz WNJCFCDSBDBIME-SVRRBLITSA-N 1 0 212.322 1.020 10 0 BDAERO C[NH2+][C@H](C)c1nc(-c2cccs2)nn1C ZINC000054699714 640320775 /nfs/dbraw/zinc/32/07/75/640320775.db2.gz XQKWZQBHULTGBA-SSDOTTSWSA-N 1 0 222.317 1.824 10 0 BDAERO C[NH2+][C@@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044677427 640453189 /nfs/dbraw/zinc/45/31/89/640453189.db2.gz DSSIJUVNKPLREL-MGPQQGTHSA-N 1 0 216.328 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1.480 10 0 BDAERO C[C@H](O)CCC[NH2+]CCc1ccccc1 ZINC000228091653 640859877 /nfs/dbraw/zinc/85/98/77/640859877.db2.gz DONLPCUHROSUOA-LBPRGKRZSA-N 1 0 207.317 1.980 10 0 BDAERO CCCOc1ccnc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000228269530 640867707 /nfs/dbraw/zinc/86/77/07/640867707.db2.gz PDMVHMBPMBNFMW-ZJUUUORDSA-N 1 0 238.335 1.803 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ncnc2c1CCCC2 ZINC000087308400 640868521 /nfs/dbraw/zinc/86/85/21/640868521.db2.gz BQSNITMKWJRPNL-VIFPVBQESA-N 1 0 220.320 1.139 10 0 BDAERO CC[C@H](CCO)[NH2+]CCc1ccccc1 ZINC000229109335 640925728 /nfs/dbraw/zinc/92/57/28/640925728.db2.gz BIFVBEWDFWZJFU-CYBMUJFWSA-N 1 0 207.317 1.980 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(-c2cncs2)no1 ZINC000087572162 640930092 /nfs/dbraw/zinc/93/00/92/640930092.db2.gz YXKXASSPMCXPMJ-RXMQYKEDSA-N 1 0 210.262 1.083 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(CC2CC2)no1 ZINC000087584160 640932854 /nfs/dbraw/zinc/93/28/54/640932854.db2.gz IQIRKUPHJLVEAM-SECBINFHSA-N 1 0 209.293 1.548 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccco1 ZINC000229218194 640934204 /nfs/dbraw/zinc/93/42/04/640934204.db2.gz BOYFRZCNSZRNDI-RKDXNWHRSA-N 1 0 209.245 1.146 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccco1 ZINC000229218208 640934670 /nfs/dbraw/zinc/93/46/70/640934670.db2.gz BOYFRZCNSZRNDI-BDAKNGLRSA-N 1 0 209.245 1.146 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1cn[nH]c(=O)c1Cl ZINC000087798454 641048180 /nfs/dbraw/zinc/04/81/80/641048180.db2.gz GJRAGSVZUZXZNJ-ZETCQYMHSA-N 1 0 242.710 1.153 10 0 BDAERO C(c1noc(C2CCC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000063084624 641127917 /nfs/dbraw/zinc/12/79/17/641127917.db2.gz DQMXNGFCGXBHFP-VIFPVBQESA-N 1 0 221.304 1.879 10 0 BDAERO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)c1ccsc1 ZINC000231983788 641227745 /nfs/dbraw/zinc/22/77/45/641227745.db2.gz PPAUJPVABVKEGB-IJLUTSLNSA-N 1 0 241.356 1.675 10 0 BDAERO COC(=O)[C@H](C[NH3+])[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000675073803 641323120 /nfs/dbraw/zinc/32/31/20/641323120.db2.gz UJARCAWHVGXYON-GWOFURMSSA-N 1 0 213.321 1.807 10 0 BDAERO 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CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C2CC2)C1 ZINC000251582585 642410323 /nfs/dbraw/zinc/41/03/23/642410323.db2.gz NRXPCNUSSGXIMD-BXKDBHETSA-N 1 0 210.321 1.385 10 0 BDAERO C([C@H]1CCCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257656253 642491020 /nfs/dbraw/zinc/49/10/20/642491020.db2.gz FKBMSEIBDIIWCL-OLZOCXBDSA-N 1 0 224.348 1.383 10 0 BDAERO CCC[C@H]1C[C@H]1[NH2+]C1CCS(=O)CC1 ZINC000233394782 642667863 /nfs/dbraw/zinc/66/78/63/642667863.db2.gz AERBOXBIGKWYTH-MMIJRFEOSA-N 1 0 215.362 1.676 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCF ZINC000306198054 642731701 /nfs/dbraw/zinc/73/17/01/642731701.db2.gz UJHYSTIKYKMAGY-MNOVXSKESA-N 1 0 200.301 1.515 10 0 BDAERO c1cc(-c2noc([C@H]3CC[NH2+]C3)n2)co1 ZINC000069946086 642942396 /nfs/dbraw/zinc/94/23/96/642942396.db2.gz AZWXJVLWYUIWMC-ZETCQYMHSA-N 1 0 205.217 1.407 10 0 BDAERO C[NH2+]CCc1noc([C@H]2CCCS2)n1 ZINC000070004931 642949677 /nfs/dbraw/zinc/94/96/77/642949677.db2.gz XNOPCQXCTSSYFJ-SSDOTTSWSA-N 1 0 213.306 1.400 10 0 BDAERO CCC[C@@H](C(=O)NCCCCCCO)[NH+](C)C ZINC000182251208 642983430 /nfs/dbraw/zinc/98/34/30/642983430.db2.gz WUVJYADSCAQZAA-LBPRGKRZSA-N 1 0 244.379 1.386 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000070502759 643030743 /nfs/dbraw/zinc/03/07/43/643030743.db2.gz RYTBLPWWJAZTQG-IEBDPFPHSA-N 1 0 210.321 1.419 10 0 BDAERO CC(C)(C[NH3+])C(=O)N[C@@H]1COc2ccccc21 ZINC000070530065 643034757 /nfs/dbraw/zinc/03/47/57/643034757.db2.gz RVLHNLWXQTVFGX-SNVBAGLBSA-N 1 0 234.299 1.221 10 0 BDAERO O=C1C[C@@H]([NH2+][C@H]2COc3ccccc32)CCCN1 ZINC000070529512 643034847 /nfs/dbraw/zinc/03/48/47/643034847.db2.gz QOVHCFHGCYAGRG-JQWIXIFHSA-N 1 0 246.310 1.378 10 0 BDAERO CC(C)Oc1cncc(N(C)C[C@@H](C)[NH3+])n1 ZINC000070580941 643043071 /nfs/dbraw/zinc/04/30/71/643043071.db2.gz GZZRICSUECKEOK-SECBINFHSA-N 1 0 224.308 1.047 10 0 BDAERO COC(=O)[C@](C)([NH3+])CCn1ncc(Cl)c1C ZINC000070704381 643063584 /nfs/dbraw/zinc/06/35/84/643063584.db2.gz QYPWNFINJRVQOI-SNVBAGLBSA-N 1 0 245.710 1.125 10 0 BDAERO CCN1CCC(=O)C12CC[NH+](CC(C)C)CC2 ZINC000711935536 643080448 /nfs/dbraw/zinc/08/04/48/643080448.db2.gz ZCIKGXRNVZBNQR-UHFFFAOYSA-N 1 0 238.375 1.772 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)n1 ZINC000252681481 643088937 /nfs/dbraw/zinc/08/89/37/643088937.db2.gz ICQPDAQXOPQPFY-ZJDVBMNYSA-N 1 0 239.319 1.659 10 0 BDAERO CC[C@@H](C)c1noc(C[C@H]([NH3+])C2CC2)n1 ZINC000082563174 643343320 /nfs/dbraw/zinc/34/33/20/643343320.db2.gz WMJKETWWYFZRTL-APPZFPTMSA-N 1 0 209.293 1.863 10 0 BDAERO C[C@H]([NH3+])CN(C)c1nc2ccccc2o1 ZINC000082592482 643350546 /nfs/dbraw/zinc/35/05/46/643350546.db2.gz JBCRZXRQOODNMW-QMMMGPOBSA-N 1 0 205.261 1.611 10 0 BDAERO C[NH2+]CCCc1nc(CC(C)(C)C)no1 ZINC000082673342 643365245 /nfs/dbraw/zinc/36/52/45/643365245.db2.gz UNTHFAQHLSJDOF-UHFFFAOYSA-N 1 0 211.309 1.810 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1NCCC[C@@H]1[NH3+] ZINC000757236345 643373033 /nfs/dbraw/zinc/37/30/33/643373033.db2.gz OJEFIUCNHDUTLE-RYUDHWBXSA-N 1 0 205.305 1.329 10 0 BDAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1ccc(C)n1 ZINC000082800580 643382057 /nfs/dbraw/zinc/38/20/57/643382057.db2.gz UDNJZWONWVSYJF-KOLCDFICSA-N 1 0 225.292 1.033 10 0 BDAERO CCC[C@H]1C[NH2+]CCN1C[C@@H]1CCCO1 ZINC000082926829 643387636 /nfs/dbraw/zinc/38/76/36/643387636.db2.gz JHCWQLJLBSVGNV-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@@H]1CC[C@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400446717 643387949 /nfs/dbraw/zinc/38/79/49/643387949.db2.gz IBBXGJGHMQXGGZ-BXKDBHETSA-N 1 0 205.305 1.961 10 0 BDAERO Cc1cc2n(n1)[C@@H]([C@H]1CCC[NH2+]C1)CCN2 ZINC000235995751 643563826 /nfs/dbraw/zinc/56/38/26/643563826.db2.gz SNECQINVJBCZFT-WDEREUQCSA-N 1 0 220.320 1.548 10 0 BDAERO CC(C)CNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301186 643657401 /nfs/dbraw/zinc/65/74/01/643657401.db2.gz OXFJGEKMVGKRHM-MNOVXSKESA-N 1 0 212.337 1.524 10 0 BDAERO CC(C)N(C)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301419 643657887 /nfs/dbraw/zinc/65/78/87/643657887.db2.gz RYXWOLVDPMNVCI-WDEREUQCSA-N 1 0 212.337 1.618 10 0 BDAERO Cc1cc(C(=O)NCC2CC([NH3+])C2)c(C)o1 ZINC000084446918 643664038 /nfs/dbraw/zinc/66/40/38/643664038.db2.gz OOKYLVWLNAYFNM-UHFFFAOYSA-N 1 0 222.288 1.364 10 0 BDAERO C([C@H]1CCCO1)N1CC[NH2+]CC12CCCCC2 ZINC000085452410 643752167 /nfs/dbraw/zinc/75/21/67/643752167.db2.gz OGEDHUJBJUJQEW-CYBMUJFWSA-N 1 0 238.375 1.774 10 0 BDAERO CC(C)Oc1cc(N(C)C[C@H](C)[NH3+])ncn1 ZINC000085483622 643755258 /nfs/dbraw/zinc/75/52/58/643755258.db2.gz WFEITMBZSMVMFR-VIFPVBQESA-N 1 0 224.308 1.047 10 0 BDAERO Cc1ccc(N2C[C@H](CC[NH3+])OC2=O)cc1 ZINC000082365413 644375543 /nfs/dbraw/zinc/37/55/43/644375543.db2.gz DLHQXAWITOMAPB-NSHDSACASA-N 1 0 220.272 1.669 10 0 BDAERO C[C@H](O)CC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000085989700 644453887 /nfs/dbraw/zinc/45/38/87/644453887.db2.gz RVUMEPDISDMNRI-UFBFGSQYSA-N 1 0 245.269 1.359 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000087127769 644477611 /nfs/dbraw/zinc/47/76/11/644477611.db2.gz GKLGWKBSRMINDY-FOGDFJRCSA-N 1 0 209.289 1.079 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000087127766 644478138 /nfs/dbraw/zinc/47/81/38/644478138.db2.gz GKLGWKBSRMINDY-UMNHJUIQSA-N 1 0 209.289 1.079 10 0 BDAERO O=C(CC1CC1)NC[C@]12CC[C@H]1CC[NH2+]2 ZINC000685946278 644518137 /nfs/dbraw/zinc/51/81/37/644518137.db2.gz HZNKIMLQNMTZOL-CMPLNLGQSA-N 1 0 208.305 1.045 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](C)C1[NH+]1CCC(F)(F)CC1 ZINC000685951920 644518914 /nfs/dbraw/zinc/51/89/14/644518914.db2.gz ZEFFQGZVUSTEDQ-UWVGGRQHSA-N 1 0 232.318 1.962 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C1COC(C)(C)OC1 ZINC000324497575 644525591 /nfs/dbraw/zinc/52/55/91/644525591.db2.gz NABSLMQQGGFCDE-SNVBAGLBSA-N 1 0 231.336 1.135 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)cc1 ZINC000089090942 644534177 /nfs/dbraw/zinc/53/41/77/644534177.db2.gz ZXNDHEMZEJQFSF-AAEUAGOBSA-N 1 0 248.326 1.178 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)[C@]1(C)CCCS1 ZINC000382336840 644535935 /nfs/dbraw/zinc/53/59/35/644535935.db2.gz YIEDHGNOUBPBHF-BBBLOLIVSA-N 1 0 203.351 1.618 10 0 BDAERO [NH3+]CCCCCCC(=O)NC[C@@H]1CCC[C@H]1O ZINC000089169888 644537657 /nfs/dbraw/zinc/53/76/57/644537657.db2.gz RSIBUWIBSMCWPB-NWDGAFQWSA-N 1 0 242.363 1.173 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCc1ccccn1 ZINC000089386642 644546128 /nfs/dbraw/zinc/54/61/28/644546128.db2.gz RWKHREAMTBKPAJ-YPMHNXCESA-N 1 0 247.342 1.463 10 0 BDAERO COc1ncccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089453208 644550939 /nfs/dbraw/zinc/55/09/39/644550939.db2.gz WZGSVBNKPZBBIH-NXEZZACHSA-N 1 0 249.314 1.404 10 0 BDAERO COc1ncccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089453213 644551997 /nfs/dbraw/zinc/55/19/97/644551997.db2.gz WZGSVBNKPZBBIH-ZJUUUORDSA-N 1 0 249.314 1.404 10 0 BDAERO CCOc1cc(NCC2CC([NH3+])C2)nc(C)n1 ZINC000090788433 644606383 /nfs/dbraw/zinc/60/63/83/644606383.db2.gz MOHOKSOQGXHWGI-UHFFFAOYSA-N 1 0 236.319 1.333 10 0 BDAERO [NH3+]C1CC(CNC(=O)Nc2cccc(F)c2)C1 ZINC000091525932 644629960 /nfs/dbraw/zinc/62/99/60/644629960.db2.gz VJEIHTLZHIEREZ-UHFFFAOYSA-N 1 0 237.278 1.685 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cc3ccccc3o2)C1 ZINC000091525079 644630128 /nfs/dbraw/zinc/63/01/28/644630128.db2.gz ZVTXOOBCWCGYQN-UHFFFAOYSA-N 1 0 244.294 1.900 10 0 BDAERO CCOCCN1CC[N@H+](CCC(C)=O)C[C@H]1C ZINC000247584635 644644487 /nfs/dbraw/zinc/64/44/87/644644487.db2.gz IVTGNCSIBGHMEH-GFCCVEGCSA-N 1 0 242.363 1.008 10 0 BDAERO CC(C)(C)[C@@H](Cn1ccnc1)N[C@@H]1CC[NH2+]C1 ZINC000094085816 644708528 /nfs/dbraw/zinc/70/85/28/644708528.db2.gz FKOXXKHMPFMPAJ-VXGBXAGGSA-N 1 0 236.363 1.249 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCc2ccncc2)C[C@@H]1C ZINC000094996859 644736733 /nfs/dbraw/zinc/73/67/33/644736733.db2.gz AFGYNKOOVXQYLP-AAEUAGOBSA-N 1 0 248.326 1.365 10 0 BDAERO COC(=O)[C@H]1C[N@H+](Cc2ccncc2)C[C@H]1C ZINC000095015376 644737172 /nfs/dbraw/zinc/73/71/72/644737172.db2.gz DDJBLWBBKFCLFQ-PWSUYJOCSA-N 1 0 234.299 1.323 10 0 BDAERO [NH3+][C@@H](CCO)c1cccc(Br)c1F ZINC000095638755 644760556 /nfs/dbraw/zinc/76/05/56/644760556.db2.gz VOSFCMPIVANUEL-QMMMGPOBSA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+]C[C@H]1c2ccccc2CCN1C[C@H]1CCCO1 ZINC000250534419 644762452 /nfs/dbraw/zinc/76/24/52/644762452.db2.gz NTPCMBMKRDTZSB-HIFRSBDPSA-N 1 0 246.354 1.724 10 0 BDAERO O[C@H](C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000250884365 644785674 /nfs/dbraw/zinc/78/56/74/644785674.db2.gz WEXQQYPUFPLNCO-XQQFMLRXSA-N 1 0 225.332 1.401 10 0 BDAERO CC[C@H](COC)NC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000251122673 644794238 /nfs/dbraw/zinc/79/42/38/644794238.db2.gz WODVBLBEXVNCAY-QJPTWQEYSA-N 1 0 242.363 1.293 10 0 BDAERO C[C@@H]1CN(c2nccnc2Cl)C[C@H]1[NH+](C)C ZINC000251567501 644810286 /nfs/dbraw/zinc/81/02/86/644810286.db2.gz BWLLPBBYHJFCDR-RKDXNWHRSA-N 1 0 240.738 1.516 10 0 BDAERO CC/C=C(/C)C[N@@H+]1C[C@H](N(C)C)C[C@H]1CO ZINC000096833057 644840055 /nfs/dbraw/zinc/84/00/55/644840055.db2.gz UOZVEFKGVUNHHX-CUBYMHMKSA-N 1 0 226.364 1.340 10 0 BDAERO C[C@@H]1CCCN(c2ncnc3c2CCC3)[C@H]1C[NH3+] ZINC000252214870 644842175 /nfs/dbraw/zinc/84/21/75/644842175.db2.gz XJLJJZGIZUUMAL-MFKMUULPSA-N 1 0 246.358 1.529 10 0 BDAERO CC(C)(C)c1nc(C[C@H]2CCC[NH2+]2)no1 ZINC000096892455 644848213 /nfs/dbraw/zinc/84/82/13/644848213.db2.gz SQNDMACJOBXGGT-MRVPVSSYSA-N 1 0 209.293 1.662 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2nc(Cc3ccccn3)no2)C1 ZINC000097067702 644868040 /nfs/dbraw/zinc/86/80/40/644868040.db2.gz FVBHJBMXDFWELE-NXEZZACHSA-N 1 0 244.298 1.650 10 0 BDAERO [NH3+]C[C@@H]1CN(CCF)C[C@H]1c1ccccc1 ZINC000304214289 644876799 /nfs/dbraw/zinc/87/67/99/644876799.db2.gz FXUQTBUTFFMTBT-OLZOCXBDSA-N 1 0 222.307 1.630 10 0 BDAERO CCCOC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000304536266 644916248 /nfs/dbraw/zinc/91/62/48/644916248.db2.gz HWXVRFINKOXKCO-WDEREUQCSA-N 1 0 226.320 1.702 10 0 BDAERO C[C@H]1CCC(=O)CN1C[C@@H]1CCCOC1 ZINC000725643668 711668491 /nfs/dbraw/zinc/66/84/91/711668491.db2.gz FVVQSPCULJNPIU-QWRGUYRKSA-N 1 0 211.305 1.466 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1nnc(C(F)F)s1 ZINC000721900823 711812829 /nfs/dbraw/zinc/81/28/29/711812829.db2.gz URMAETMUQKYLCW-RFZPGFLSSA-N 1 0 234.275 1.496 10 0 BDAERO COC[C@H](C[N@@H+]1C[C@H](O)CC[C@H]1C)C(C)C ZINC000721973142 711854577 /nfs/dbraw/zinc/85/45/77/711854577.db2.gz RCTFCUGQSMOESM-FRRDWIJNSA-N 1 0 229.364 1.750 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)NNc2cc[nH+]cc2)O1 ZINC000180511977 711888374 /nfs/dbraw/zinc/88/83/74/711888374.db2.gz WJWVQAPDMLKQIF-SCZZXKLOSA-N 1 0 221.260 1.092 10 0 BDAERO C[C@@H](C[NH3+])c1noc(C[C@H](C)C(F)(F)F)n1 ZINC000705469845 712131938 /nfs/dbraw/zinc/13/19/38/712131938.db2.gz JXURWSUHAPJXNJ-WDSKDSINSA-N 1 0 237.225 1.873 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N(C)CCCCCC[NH3+])O1 ZINC000710713888 712255622 /nfs/dbraw/zinc/25/56/22/712255622.db2.gz MERVODHPVQYIBE-VXGBXAGGSA-N 1 0 242.363 1.531 10 0 BDAERO C[C@@H](CC(=O)NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000379467605 712385405 /nfs/dbraw/zinc/38/54/05/712385405.db2.gz YOYRLWYLFVOXKT-UWVGGRQHSA-N 1 0 210.321 1.148 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713244217 712455999 /nfs/dbraw/zinc/45/59/99/712455999.db2.gz XNTRAGLSDYWLGP-FBUUZDRASA-N 1 0 222.332 1.419 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713577321 712465408 /nfs/dbraw/zinc/46/54/08/712465408.db2.gz AKKPLBIGBKQDOG-UPJWGTAASA-N 1 0 241.375 1.894 10 0 BDAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713930903 712473811 /nfs/dbraw/zinc/47/38/11/712473811.db2.gz SPBDMMLWVFOAJF-WYUUTHIRSA-N 1 0 240.347 1.045 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000714006312 712476970 /nfs/dbraw/zinc/47/69/70/712476970.db2.gz KCVFTKIYJFMBSV-HBIQZDMRSA-N 1 0 213.321 1.426 10 0 BDAERO COCC1CC([NH2+]Cc2csc(C)n2)C1 ZINC000714008357 712477385 /nfs/dbraw/zinc/47/73/85/712477385.db2.gz RXXSRUDDPFXCIB-UHFFFAOYSA-N 1 0 226.345 1.966 10 0 BDAERO COCC1CC([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000714008702 712477540 /nfs/dbraw/zinc/47/75/40/712477540.db2.gz MQQYTCSBIMIMJB-HBIQZDMRSA-N 1 0 213.321 1.569 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000714370260 712484466 /nfs/dbraw/zinc/48/44/66/712484466.db2.gz CITWFVWBFKAMKI-JTQLQIEISA-N 1 0 215.337 1.695 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cn(CCC)nn1 ZINC000714478037 712491580 /nfs/dbraw/zinc/49/15/80/712491580.db2.gz OWXCHQZETDAAGC-PWSUYJOCSA-N 1 0 222.336 1.966 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cn(C)nn1 ZINC000715892720 712540684 /nfs/dbraw/zinc/54/06/84/712540684.db2.gz NVBBGBSXBQCUHK-AXFHLTTASA-N 1 0 238.335 1.017 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCCS1 ZINC000716046893 712548657 /nfs/dbraw/zinc/54/86/57/712548657.db2.gz XINRJCRIKQQQNR-NXEZZACHSA-N 1 0 230.377 1.516 10 0 BDAERO O=C(NCC[C@H]1CCCS1)[C@H]1CCC[NH2+]C1 ZINC000716054197 712548812 /nfs/dbraw/zinc/54/88/12/712548812.db2.gz OBYJPDNGZKCAFT-WDEREUQCSA-N 1 0 242.388 1.388 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC[C@H]2CCCS2)C1 ZINC000716056840 712548935 /nfs/dbraw/zinc/54/89/35/712548935.db2.gz ZEUZJCIENPIXGI-GMTAPVOTSA-N 1 0 242.388 1.516 10 0 BDAERO C[C@@H]1CN(C[C@H]2CCC3(CCC3)CO2)C[C@@H]1[NH3+] ZINC000716295892 712553600 /nfs/dbraw/zinc/55/36/00/712553600.db2.gz SLRNDOHPFULNNP-UPJWGTAASA-N 1 0 238.375 1.615 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000716438703 712560400 /nfs/dbraw/zinc/56/04/00/712560400.db2.gz IQQXQXGAOGZXGU-DGORSVRFSA-N 1 0 222.332 1.004 10 0 BDAERO CC(C)C1(C[NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716699861 712570234 /nfs/dbraw/zinc/57/02/34/712570234.db2.gz VQKHDBQIJWHRGP-UHFFFAOYSA-N 1 0 210.321 1.276 10 0 BDAERO Cc1nc(C[NH2+]C2CC(C(N)=O)C2)sc1C ZINC000716723834 712571267 /nfs/dbraw/zinc/57/12/67/712571267.db2.gz RBXWKARQFXBEIG-UHFFFAOYSA-N 1 0 239.344 1.113 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2cc(Cl)cs2)C1 ZINC000716747138 712571879 /nfs/dbraw/zinc/57/18/79/712571879.db2.gz WAVFSNLBVFTBQJ-UHFFFAOYSA-N 1 0 244.747 1.755 10 0 BDAERO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716759264 712572495 /nfs/dbraw/zinc/57/24/95/712572495.db2.gz GEZJNMLLBYCTEJ-SGCDDIOWSA-N 1 0 224.348 1.665 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cscn1 ZINC000716745234 712572160 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COC(=O)[C@@H]1C[N@@H+](C2CCCC2)C[C@@H]1C ZINC000227824132 711833116 /nfs/dbraw/zinc/83/31/16/711833116.db2.gz OPXOUMVTIWOKRP-GXSJLCMTSA-N 1 0 211.305 1.670 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C2=CCCCO2)C1 ZINC000174645520 711842694 /nfs/dbraw/zinc/84/26/94/711842694.db2.gz ZWQHRGZDULNSQB-LLVKDONJSA-N 1 0 238.331 1.281 10 0 BDAERO CC1(C)C[NH2+]C[C@H]1Nc1nc2ccccc2[nH]1 ZINC000721978237 711856023 /nfs/dbraw/zinc/85/60/23/711856023.db2.gz VJBOXJDSGSXWDE-LLVKDONJSA-N 1 0 230.315 1.973 10 0 BDAERO CC[C@@H](C)c1noc([C@@H]2C[NH2+]CCOC2)n1 ZINC000700381699 711990344 /nfs/dbraw/zinc/99/03/44/711990344.db2.gz NPIIQFOFZCHTLX-RKDXNWHRSA-N 1 0 225.292 1.287 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccnc1Cl ZINC000700608346 712001300 /nfs/dbraw/zinc/00/13/00/712001300.db2.gz GCZNKNHOYLIGMK-APPZFPTMSA-N 1 0 239.706 1.297 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccccc1F ZINC000700751259 712004445 /nfs/dbraw/zinc/00/44/45/712004445.db2.gz CQKRYAHYBJOOQP-BGLVSGNDSA-N 1 0 248.301 1.787 10 0 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C[C@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)CC(C)(C)C1 ZINC000708800018 712198669 /nfs/dbraw/zinc/19/86/69/712198669.db2.gz IQDZEMCGCIXJOR-ZDEQEGDKSA-N 1 0 241.375 1.941 10 0 BDAERO COc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)sn1 ZINC000708855498 712201305 /nfs/dbraw/zinc/20/13/05/712201305.db2.gz URXXKDOHXKBGJQ-DTWKUNHWSA-N 1 0 241.360 1.178 10 0 BDAERO C[C@H]1CN(Cc2ncc(Cl)n2C)C[C@@H]1C[NH3+] ZINC000708894352 712202632 /nfs/dbraw/zinc/20/26/32/712202632.db2.gz TUOBWKVCYINERH-IUCAKERBSA-N 1 0 242.754 1.100 10 0 BDAERO CC(C)[C@H](C)N1CCC[C@H]([NH2+]CCO)C1 ZINC000708596907 712214331 /nfs/dbraw/zinc/21/43/31/712214331.db2.gz BLELMQMZLKQZOQ-RYUDHWBXSA-N 1 0 214.353 1.077 10 0 BDAERO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncc[nH]1 ZINC000709460059 712222450 /nfs/dbraw/zinc/22/24/50/712222450.db2.gz XOKMBDWYPZLDHD-GKDVJIACSA-N 1 0 220.320 1.343 10 0 BDAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cn(C)cn1 ZINC000709993285 712238825 /nfs/dbraw/zinc/23/88/25/712238825.db2.gz XOAFLFUKILDQHM-GUBZILKMSA-N 1 0 209.293 1.248 10 0 BDAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cn(C)cn1 ZINC000710010393 712240042 /nfs/dbraw/zinc/24/00/42/712240042.db2.gz AZGBTHWMTUCVCL-NHCYSSNCSA-N 1 0 223.320 1.638 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cn(C)cn1 ZINC000710015812 712240698 /nfs/dbraw/zinc/24/06/98/712240698.db2.gz OJAAGPHDCWKGGO-UMNHJUIQSA-N 1 0 223.320 1.374 10 0 BDAERO CC[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000711110473 712281244 /nfs/dbraw/zinc/28/12/44/712281244.db2.gz QJINKFXKUNIPKY-WOPDTQHZSA-N 1 0 213.321 1.570 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOC1CC1 ZINC000711745086 712325738 /nfs/dbraw/zinc/32/57/38/712325738.db2.gz HGTJPDNMNVWJMF-QWHCGFSZSA-N 1 0 238.375 1.724 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3nccn3C3CC3)C[C@H]12 ZINC000711804094 712332001 /nfs/dbraw/zinc/33/20/01/712332001.db2.gz HUMYXPMPVCTKGI-WCFLWFBJSA-N 1 0 246.358 1.387 10 0 BDAERO C(c1noc([C@H]2CC[NH2+]C2)n1)C1CCCC1 ZINC000379109243 712369456 /nfs/dbraw/zinc/36/94/56/712369456.db2.gz 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712474709 /nfs/dbraw/zinc/47/47/09/712474709.db2.gz WDDVLFMYJCPKDJ-XIVSLSHWSA-N 1 0 240.347 1.060 10 0 BDAERO COCC1CC([NH2+]C2CC(SC)C2)C1 ZINC000713959367 712475038 /nfs/dbraw/zinc/47/50/38/712475038.db2.gz BXDOKJXEIREVGP-UHFFFAOYSA-N 1 0 215.362 1.895 10 0 BDAERO COCC1CC([NH2+][C@H]2COCC2(C)C)C1 ZINC000713971264 712475602 /nfs/dbraw/zinc/47/56/02/712475602.db2.gz OPUAECYNQDLGCY-ILDUYXDCSA-N 1 0 213.321 1.426 10 0 BDAERO [NH3+][C@@H]1CCCN(C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC000713978308 712475891 /nfs/dbraw/zinc/47/58/91/712475891.db2.gz FLCQTZRHTHPRSA-VHSXEESVSA-N 1 0 246.301 1.762 10 0 BDAERO [NH3+][C@@H]1CCCN(C(=O)C[C@H]2CCCC2(F)F)C1 ZINC000713978304 712476001 /nfs/dbraw/zinc/47/60/01/712476001.db2.gz FLCQTZRHTHPRSA-NXEZZACHSA-N 1 0 246.301 1.762 10 0 BDAERO [NH3+][C@H]1CCCN(C(=O)C[C@H]2CCCC2(F)F)C1 ZINC000713978309 712476122 /nfs/dbraw/zinc/47/61/22/712476122.db2.gz FLCQTZRHTHPRSA-ZJUUUORDSA-N 1 0 246.301 1.762 10 0 BDAERO COCC1CC([NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000713986979 712476591 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/nfs/dbraw/zinc/48/27/06/712482706.db2.gz VZFYSZVUGKWSKW-VIFPVBQESA-N 1 0 240.269 1.379 10 0 BDAERO Cc1cnc(N2CCC(C(C)(C)C[NH3+])CC2)nc1 ZINC000714487623 712492369 /nfs/dbraw/zinc/49/23/69/712492369.db2.gz UKCABEBKMCSAFT-UHFFFAOYSA-N 1 0 248.374 1.986 10 0 BDAERO CCC1([NH3+])CCN(c2ccc(F)cn2)CC1 ZINC000714752102 712497240 /nfs/dbraw/zinc/49/72/40/712497240.db2.gz OSMYNGMIXLMYGZ-UHFFFAOYSA-N 1 0 223.295 1.928 10 0 BDAERO Cc1noc2ncnc(NC[C@H]3C[C@@H]([NH3+])C3)c12 ZINC000715068070 712505730 /nfs/dbraw/zinc/50/57/30/712505730.db2.gz SXUKYFZNGUNSBZ-OCAPTIKFSA-N 1 0 233.275 1.075 10 0 BDAERO CC(C)(C)SCC(=O)NCC1CC([NH3+])C1 ZINC000715083235 712507118 /nfs/dbraw/zinc/50/71/18/712507118.db2.gz VWTXOMAJYPSEPL-UHFFFAOYSA-N 1 0 230.377 1.372 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccc(Cl)cc2)C1 ZINC000715092043 712507933 /nfs/dbraw/zinc/50/79/33/712507933.db2.gz PKSCQQPCEZVVBI-UHFFFAOYSA-N 1 0 238.718 1.807 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000715097348 712508574 /nfs/dbraw/zinc/50/85/74/712508574.db2.gz OGERMASSSLFSEH-AHKNTWRYSA-N 1 0 248.370 1.522 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000715113505 712510042 /nfs/dbraw/zinc/51/00/42/712510042.db2.gz GZMHFZOFKMSVCR-UHFFFAOYSA-N 1 0 243.310 1.635 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715406037 712517202 /nfs/dbraw/zinc/51/72/02/712517202.db2.gz APJRHQAXAHKLIT-AATLWQCWSA-N 1 0 244.285 1.098 10 0 BDAERO CN(C(=O)[C@]12C[NH2+]C[C@H]1CCCC2)C1CC1 ZINC000715461434 712519619 /nfs/dbraw/zinc/51/96/19/712519619.db2.gz DDNFHYFGZPMYPM-ZWNOBZJWSA-N 1 0 222.332 1.387 10 0 BDAERO O=C(Nc1cccnc1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715364029 712521687 /nfs/dbraw/zinc/52/16/87/712521687.db2.gz XARLWMOBEWTWIX-BXUZGUMPSA-N 1 0 245.326 1.800 10 0 BDAERO C[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715489921 712523056 /nfs/dbraw/zinc/52/30/56/712523056.db2.gz BPRDBNXERGFNSP-YRGRVCCFSA-N 1 0 236.359 1.777 10 0 BDAERO CN(C(=O)[C@]12C[NH2+]C[C@H]1CCCC2)C1CCC1 ZINC000715493847 712523371 /nfs/dbraw/zinc/52/33/71/712523371.db2.gz KQPOJFKPOHWFMZ-BXUZGUMPSA-N 1 0 236.359 1.777 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000715498896 712523743 /nfs/dbraw/zinc/52/37/43/712523743.db2.gz WAEPSMRSMFKTBI-AAVRWANBSA-N 1 0 239.359 1.837 10 0 BDAERO C(C[C@H]1CCCS1)N[C@@H]1CC[NH2+]C1 ZINC000715731936 712531086 /nfs/dbraw/zinc/53/10/86/712531086.db2.gz LUJLBJABEHVILV-NXEZZACHSA-N 1 0 200.351 1.224 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cn(C)nn1 ZINC000715892721 712540700 /nfs/dbraw/zinc/54/07/00/712540700.db2.gz NVBBGBSXBQCUHK-DCAQKATOSA-N 1 0 238.335 1.017 10 0 BDAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cn(C)nn1 ZINC000715917189 712542341 /nfs/dbraw/zinc/54/23/41/712542341.db2.gz YNZSIFDTNXAOFQ-ZJUUUORDSA-N 1 0 224.308 1.035 10 0 BDAERO CCCn1cc([C@@H](C)[NH2+]C2CC(OC)C2)nn1 ZINC000715932227 712543844 /nfs/dbraw/zinc/54/38/44/712543844.db2.gz DEBKEHIHUQREAP-KPPDAEKUSA-N 1 0 238.335 1.516 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000716436926 712560260 /nfs/dbraw/zinc/56/02/60/712560260.db2.gz FWTKDDJLOOKJOX-WTPMCQDGSA-N 1 0 222.332 1.228 10 0 BDAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000716445884 712561076 /nfs/dbraw/zinc/56/10/76/712561076.db2.gz RDRHPOZKNYOIBP-LADJIXMOSA-N 1 0 210.321 1.132 10 0 BDAERO Cc1n[nH]c(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1C ZINC000716446845 712561616 /nfs/dbraw/zinc/56/16/16/712561616.db2.gz MDPJPVKRKZGZMQ-JQWIXIFHSA-N 1 0 223.320 1.684 10 0 BDAERO CCOc1ccccc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716731768 712571604 /nfs/dbraw/zinc/57/16/04/712571604.db2.gz OLXYWRDFANGOOO-UHFFFAOYSA-N 1 0 248.326 1.439 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccco1 ZINC000716732915 712571669 /nfs/dbraw/zinc/57/16/69/712571669.db2.gz VGYNCDYIUZQNQP-UEJVZZJDSA-N 1 0 208.261 1.194 10 0 BDAERO C[C@H](CCc1ccco1)[NH2+]C1CC(C(N)=O)C1 ZINC000716782410 712573264 /nfs/dbraw/zinc/57/32/64/712573264.db2.gz DDGCTOKTQUWSJM-KPPDAEKUSA-N 1 0 236.315 1.454 10 0 BDAERO Cc1nnc(NC[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000717017614 712604688 /nfs/dbraw/zinc/60/46/88/712604688.db2.gz XVMADAQDVVKALK-ZETCQYMHSA-N 1 0 248.302 1.503 10 0 BDAERO CO[C@H](c1noc(CC2CC([NH3+])C2)n1)C1CC1 ZINC000718109413 712743384 /nfs/dbraw/zinc/74/33/84/712743384.db2.gz MIHZVHNEDLJGPX-FBUXNDKQSA-N 1 0 237.303 1.447 10 0 BDAERO Cc1coc(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000718467951 712764315 /nfs/dbraw/zinc/76/43/15/712764315.db2.gz SGJKNBJLXUGDCI-SNVBAGLBSA-N 1 0 222.288 1.541 10 0 BDAERO C[C@@H]1CN(CCCC(C)(F)F)C[C@@H]1[NH3+] ZINC000718721123 712778744 /nfs/dbraw/zinc/77/87/44/712778744.db2.gz DWNKIRZZNRWFIH-BDAKNGLRSA-N 1 0 206.280 1.701 10 0 BDAERO c1cnc2nccc(NC[C@@H]3CC[NH2+]C3)c2c1 ZINC000718929482 712788369 /nfs/dbraw/zinc/78/83/69/712788369.db2.gz IQRVWHXGIYIFDT-SNVBAGLBSA-N 1 0 228.299 1.651 10 0 BDAERO c1cnc2nccc(N3CC[C@H]4C[NH2+]C[C@H]43)c2c1 ZINC000718930709 712788541 /nfs/dbraw/zinc/78/85/41/712788541.db2.gz PYXYNHPLKTZPHF-GXFFZTMASA-N 1 0 240.310 1.428 10 0 BDAERO [NH3+]CC[C@@H]1CCN(c2ccnc3ncccc23)C1 ZINC000718928134 712789866 /nfs/dbraw/zinc/78/98/66/712789866.db2.gz AUNNGYLLOBVGPM-LLVKDONJSA-N 1 0 242.326 1.805 10 0 BDAERO CCN(c1ccnc2ncccc12)[C@@H]1CC[NH2+]C1 ZINC000718982395 712791630 /nfs/dbraw/zinc/79/16/30/712791630.db2.gz SPCZWSHTDIOGHW-LLVKDONJSA-N 1 0 242.326 1.818 10 0 BDAERO CC[C@H]([NH3+])CNc1ccnc2ncccc12 ZINC000718984180 712791647 /nfs/dbraw/zinc/79/16/47/712791647.db2.gz DDIQEJKLHFGXJF-VIFPVBQESA-N 1 0 216.288 1.779 10 0 BDAERO C[C@H]1CN(c2ccnc3ncccc23)C[C@H]1C[NH3+] ZINC000718988974 712791996 /nfs/dbraw/zinc/79/19/96/712791996.db2.gz JNFCJLALZOAAHM-WDEREUQCSA-N 1 0 242.326 1.661 10 0 BDAERO CC[NH2+]CCNc1ccnc2ncccc12 ZINC000718988344 712792344 /nfs/dbraw/zinc/79/23/44/712792344.db2.gz ZOOWOARGRVLTGW-UHFFFAOYSA-N 1 0 216.288 1.651 10 0 BDAERO C[C@H]1CN(c2ccnc3ncccc23)C[C@@H]1C[NH3+] ZINC000718988972 712792438 /nfs/dbraw/zinc/79/24/38/712792438.db2.gz JNFCJLALZOAAHM-QWRGUYRKSA-N 1 0 242.326 1.661 10 0 BDAERO CC1(C(=O)N2CCC[C@H]([NH3+])C2)CC(F)(F)C1 ZINC000719245004 712801616 /nfs/dbraw/zinc/80/16/16/712801616.db2.gz JOLCDKGUCCVHAI-QMMMGPOBSA-N 1 0 232.274 1.372 10 0 BDAERO CCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000719375271 712806606 /nfs/dbraw/zinc/80/66/06/712806606.db2.gz YUWFQBDZIICGKD-VHSXEESVSA-N 1 0 213.325 1.130 10 0 BDAERO COC(C)(C)[C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000720184424 712828680 /nfs/dbraw/zinc/82/86/80/712828680.db2.gz LCKUGVBOUZSUOY-WDEREUQCSA-N 1 0 247.379 1.566 10 0 BDAERO Cc1conc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000720362260 712835714 /nfs/dbraw/zinc/83/57/14/712835714.db2.gz IURGZLBCMOSKOY-VXGBXAGGSA-N 1 0 235.331 1.652 10 0 BDAERO Cc1conc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000720363585 712835726 /nfs/dbraw/zinc/83/57/26/712835726.db2.gz WAYKUYAUPYVFHI-LLVKDONJSA-N 1 0 221.304 1.263 10 0 BDAERO CC1(C(=O)NCC2CC([NH3+])C2)CC(F)(F)C1 ZINC000720507525 712847816 /nfs/dbraw/zinc/84/78/16/712847816.db2.gz WVGXJRBPTAMHEI-UHFFFAOYSA-N 1 0 232.274 1.275 10 0 BDAERO CO[C@H](c1noc(CC(C)(C)C[NH3+])n1)C1CC1 ZINC000720874374 712873026 /nfs/dbraw/zinc/87/30/26/712873026.db2.gz PCIQSZLYYWDJLZ-JTQLQIEISA-N 1 0 239.319 1.695 10 0 BDAERO Cc1nccc(NCC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721072841 712889874 /nfs/dbraw/zinc/88/98/74/712889874.db2.gz JLVVJVMATLRECT-MWLCHTKSSA-N 1 0 220.320 1.443 10 0 BDAERO CC1(C)C[C@@H]1c1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000721144829 712891966 /nfs/dbraw/zinc/89/19/66/712891966.db2.gz FBROHCVCYVBSBY-UTINFBMNSA-N 1 0 233.315 1.906 10 0 BDAERO C[C@@H](C(=O)[O-])[N@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000691377619 954684355 /nfs/dbraw/zinc/68/43/55/954684355.db2.gz DFUCQHIWIFDTFS-JTQLQIEISA-N 1 0 240.347 1.266 10 0 BDAERO C[N@H+](CCCC(=O)[O-])CC[C@@H]1CCC[NH+]1C ZINC000692658754 954705483 /nfs/dbraw/zinc/70/54/83/954705483.db2.gz HVTHGMOFMYMQDR-NSHDSACASA-N 1 0 228.336 1.267 10 0 BDAERO C[N@H+](CCCC(=O)[O-])CC[C@H]1CCC[NH+]1C ZINC000692658752 954707250 /nfs/dbraw/zinc/70/72/50/954707250.db2.gz HVTHGMOFMYMQDR-LLVKDONJSA-N 1 0 228.336 1.267 10 0 BDAERO CC[C@H](C(=O)[O-])[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709774235 955012627 /nfs/dbraw/zinc/01/26/27/955012627.db2.gz YAZSNYMFGDLMRE-SNVBAGLBSA-N 1 0 228.336 1.266 10 0 BDAERO C[C@H](CC(N)=O)[NH2+][C@@H]1c2ccccc2OC1(C)C ZINC000235409051 973852794 /nfs/dbraw/zinc/85/27/94/973852794.db2.gz PAOHOKCSEMTZOW-NOZJJQNGSA-N 1 0 248.326 1.752 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H]([NH2+]CC)C[C@@H]1C ZINC000685954505 538899089 /nfs/dbraw/zinc/89/90/89/538899089.db2.gz NQQJXFJMQHKNAV-SDDRHHMPSA-N 1 0 247.404 1.978 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000685954793 538899761 /nfs/dbraw/zinc/89/97/61/538899761.db2.gz PDDMEWSUGNTJOW-UTLUCORTSA-N 1 0 219.350 1.326 10 0 BDAERO CC(C)C[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000685963607 538910678 /nfs/dbraw/zinc/91/06/78/538910678.db2.gz UBGGCHLMXQBUEW-ZDUSSCGKSA-N 1 0 229.364 1.657 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)C(C)C)[C@H](C)C1 ZINC000685955333 538900585 /nfs/dbraw/zinc/90/05/85/538900585.db2.gz XQFHZHPXPJGKOQ-IJLUTSLNSA-N 1 0 247.404 1.976 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC ZINC000685955146 538900628 /nfs/dbraw/zinc/90/06/28/538900628.db2.gz URJPJMXRGKCZBL-GRYCIOLGSA-N 1 0 247.404 1.978 10 0 BDAERO [NH3+]CC(F)(F)COCCOCC1CC1 ZINC000685955632 538901426 /nfs/dbraw/zinc/90/14/26/538901426.db2.gz MJUDZMPCLQZDRA-UHFFFAOYSA-N 1 0 209.236 1.024 10 0 BDAERO CNCC(F)(F)COc1cccnc1 ZINC000685956877 538901719 /nfs/dbraw/zinc/90/17/19/538901719.db2.gz LWUANFAIAGUVGO-UHFFFAOYSA-N 1 0 202.204 1.315 10 0 BDAERO COCCOCC(F)(F)CNC(C)C ZINC000685955863 538901948 /nfs/dbraw/zinc/90/19/48/538901948.db2.gz FZJXPSDZWATNIC-UHFFFAOYSA-N 1 0 211.252 1.283 10 0 BDAERO CC[C@H](C)CN(C)CC(F)(F)CNC ZINC000685957867 538905273 /nfs/dbraw/zinc/90/52/73/538905273.db2.gz JNBROPXXIYEWIZ-VIFPVBQESA-N 1 0 208.296 1.819 10 0 BDAERO COCCC[NH2+]C[C@@H]1C[C@]1(CO)C(C)C ZINC000685960911 538907964 /nfs/dbraw/zinc/90/79/64/538907964.db2.gz GVBJWFQBWFNINU-RYUDHWBXSA-N 1 0 215.337 1.267 10 0 BDAERO C[C@@H]1CC[C@](O)(C(=O)OC(C)(C)C)[C@H]([NH3+])C1 ZINC000685960768 538907997 /nfs/dbraw/zinc/90/79/97/538907997.db2.gz BSRUPCXVWPNXGK-KBVBSXBZSA-N 1 0 229.320 1.207 10 0 BDAERO CCC[NH2+]CC[C@@H](CO)[C@@H]1CCOC1 ZINC000685963257 538908800 /nfs/dbraw/zinc/90/88/00/538908800.db2.gz KDJKMSRVQCZYAW-WDEREUQCSA-N 1 0 201.310 1.021 10 0 BDAERO CCC[NH2+]CC[C@H](CO)[C@@H]1CCCOC1 ZINC000685963082 538910157 /nfs/dbraw/zinc/91/01/57/538910157.db2.gz GEGWGNIEJPLWFE-VXGBXAGGSA-N 1 0 215.337 1.411 10 0 BDAERO c1csc(-c2cnnn2C2C[NH2+]C2)c1 ZINC000685952284 538896421 /nfs/dbraw/zinc/89/64/21/538896421.db2.gz CWPFWTOECNYGGZ-UHFFFAOYSA-N 1 0 206.274 1.151 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2C[NH2+][C@H](C2)C1 ZINC000685952442 538896468 /nfs/dbraw/zinc/89/64/68/538896468.db2.gz LICUESMVTBQMOG-GMTAPVOTSA-N 1 0 240.347 1.899 10 0 BDAERO C[NH2+][C@@H]1C[C@@H](C(C)C)CC[C@H]1S(C)(=O)=O ZINC000685953096 538896720 /nfs/dbraw/zinc/89/67/20/538896720.db2.gz GABUKAKYZZWWFX-HBNTYKKESA-N 1 0 233.377 1.444 10 0 BDAERO CN1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000082991554 349441377 /nfs/dbraw/zinc/44/13/77/349441377.db2.gz HDWCOVATGAXMNH-AAEUAGOBSA-N 1 0 226.364 1.221 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@H]1c1cc(F)ccc1F ZINC000685965401 538911853 /nfs/dbraw/zinc/91/18/53/538911853.db2.gz CJUIBUKMBRNWRS-GXSJLCMTSA-N 1 0 212.243 1.369 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@H]1c1ccccc1Cl ZINC000685965811 538912000 /nfs/dbraw/zinc/91/20/00/538912000.db2.gz UMTPMPALSYUOGK-GXSJLCMTSA-N 1 0 210.708 1.744 10 0 BDAERO COc1ccc(F)cc1[C@H]1C[NH2+]C[C@@]1(C)N ZINC000685965836 538912460 /nfs/dbraw/zinc/91/24/60/538912460.db2.gz VGLGFQHERKBIHX-ZYHUDNBSSA-N 1 0 224.279 1.239 10 0 BDAERO CC(C)CC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675068953 538916690 /nfs/dbraw/zinc/91/66/90/538916690.db2.gz FOGROHQZPPTVBC-ZYHUDNBSSA-N 1 0 210.321 1.372 10 0 BDAERO CCC[C@@H](C(=O)NCCC1CC1)[NH+](C)C ZINC000121689345 490106123 /nfs/dbraw/zinc/10/61/23/490106123.db2.gz UNWJLBFVPDRSDW-NSHDSACASA-N 1 0 212.337 1.633 10 0 BDAERO Cc1cc(CCOC(=O)CC[NH3+])c(C)[nH]1 ZINC000077304069 177965455 /nfs/dbraw/zinc/96/54/55/177965455.db2.gz SBAYCFBKEXZUPT-UHFFFAOYSA-N 1 0 210.277 1.066 10 0 BDAERO Cc1nccc(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000257653122 349470425 /nfs/dbraw/zinc/47/04/25/349470425.db2.gz ALNMFJYEWNEKAQ-ZDUSSCGKSA-N 1 0 232.331 1.365 10 0 BDAERO CCC(CC)(C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000019427229 168323363 /nfs/dbraw/zinc/32/33/63/168323363.db2.gz FYWFOHBVTJAGJA-PHIMTYICSA-N 1 0 214.353 1.613 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cccc3cnccc32)C1 ZINC000616611844 349473575 /nfs/dbraw/zinc/47/35/75/349473575.db2.gz GYPNESUKSJOSLO-ZDUSSCGKSA-N 1 0 241.338 1.983 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cc3ccccc3nn2)C1 ZINC000616611972 349475580 /nfs/dbraw/zinc/47/55/80/349475580.db2.gz HYXAPEAQCSUUNO-LBPRGKRZSA-N 1 0 242.326 1.378 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000161586283 349480719 /nfs/dbraw/zinc/48/07/19/349480719.db2.gz IHCRZEHVOIIBHZ-ZDUSSCGKSA-N 1 0 220.316 1.328 10 0 BDAERO CCC1(C)CCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000062957997 349502950 /nfs/dbraw/zinc/50/29/50/349502950.db2.gz KCWTTXPULUPRKZ-SNVBAGLBSA-N 1 0 212.337 1.633 10 0 BDAERO Cc1cc(CN2C[C@H](C)OC[C@@H]2C)oc1C[NH3+] ZINC000052476549 178008063 /nfs/dbraw/zinc/00/80/63/178008063.db2.gz MNBYIGOYIVNTFH-QWRGUYRKSA-N 1 0 238.331 1.656 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H]2CCCO2)c(C)n1C ZINC000052789634 178022054 /nfs/dbraw/zinc/02/20/54/178022054.db2.gz AMHVIKZYMSJEHV-ZDUSSCGKSA-N 1 0 222.332 1.911 10 0 BDAERO Cc1cc(C[NH2+]Cc2cn[nH]c2)c(C)n1C ZINC000052790372 178027648 /nfs/dbraw/zinc/02/76/48/178027648.db2.gz OQHYRBGMYFDUJW-UHFFFAOYSA-N 1 0 218.304 1.655 10 0 BDAERO Cc1nc(CN2CCC2)sc1[C@H](C)[NH3+] ZINC000307488662 398171258 /nfs/dbraw/zinc/17/12/58/398171258.db2.gz WTKGIJQPRVVULV-ZETCQYMHSA-N 1 0 211.334 1.677 10 0 BDAERO CCC[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000379877838 398173257 /nfs/dbraw/zinc/17/32/57/398173257.db2.gz BAIBDQUYLZRPED-WDEREUQCSA-N 1 0 212.337 1.823 10 0 BDAERO Nc1c[nH+]cc(Br)c1N1CCC1 ZINC000307515413 398173937 /nfs/dbraw/zinc/17/39/37/398173937.db2.gz GVPYFESAJNXYNR-UHFFFAOYSA-N 1 0 228.093 1.636 10 0 BDAERO C[C@@]1([C@@H]2CCC[NH2+]C2)NCCCS1 ZINC000575517199 398175025 /nfs/dbraw/zinc/17/50/25/398175025.db2.gz IKQVZBDQKBOORL-NXEZZACHSA-N 1 0 200.351 1.429 10 0 BDAERO Cc1cc(COC[C@H]2CCCC[NH2+]2)no1 ZINC000051815669 178048964 /nfs/dbraw/zinc/04/89/64/178048964.db2.gz UYIPNFXEEONTAQ-SNVBAGLBSA-N 1 0 210.277 1.642 10 0 BDAERO Cc1cc(COC[C@@H]2CCC[NH2+]C2)no1 ZINC000020443173 178049002 /nfs/dbraw/zinc/04/90/02/178049002.db2.gz RNEKREMTTRGVGC-SNVBAGLBSA-N 1 0 210.277 1.499 10 0 BDAERO Cc1cc(C[C@@H](C)[NH3+])nc(Cc2cccnc2)n1 ZINC000054835080 178054442 /nfs/dbraw/zinc/05/44/42/178054442.db2.gz POYOCZGLUKTAPE-SNVBAGLBSA-N 1 0 242.326 1.661 10 0 BDAERO CS(C)(=O)=NC[C@@H]1[NH2+]C[C@@H]2CCC[C@H]21 ZINC000307397206 398160878 /nfs/dbraw/zinc/16/08/78/398160878.db2.gz VAOCRLDYNHDIBZ-AEJSXWLSSA-N 1 0 216.350 1.102 10 0 BDAERO Cc1cc(Cl)ccc1-n1nnnc1[C@@H](C)[NH3+] ZINC000062493905 178065678 /nfs/dbraw/zinc/06/56/78/178065678.db2.gz CRSCHJIYHNXYSB-SSDOTTSWSA-N 1 0 237.694 1.644 10 0 BDAERO Cc1cc(Cl)ccc1C(=O)N(C)C1C[NH2+]C1 ZINC000234265338 178067013 /nfs/dbraw/zinc/06/70/13/178067013.db2.gz BOMNJBZLFKTEAK-UHFFFAOYSA-N 1 0 238.718 1.692 10 0 BDAERO Cc1cc(Cl)nc(OC2CC[NH2+]CC2)n1 ZINC000095068944 178071165 /nfs/dbraw/zinc/07/11/65/178071165.db2.gz PAYIVKWYBBNRDD-UHFFFAOYSA-N 1 0 227.695 1.569 10 0 BDAERO Cc1cc(Cl)nc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000095068950 178071680 /nfs/dbraw/zinc/07/16/80/178071680.db2.gz YDLWORJLIPSLIW-VIFPVBQESA-N 1 0 241.722 1.817 10 0 BDAERO Cc1cc(Cl)nc(N(C)[C@H]2CCC[NH2+]C2)n1 ZINC000095070553 178071875 /nfs/dbraw/zinc/07/18/75/178071875.db2.gz JCAXMRPYLWIEJS-VIFPVBQESA-N 1 0 240.738 1.627 10 0 BDAERO Cc1cc(N)ccc1NC(=O)CC[NH+](C)C ZINC000022167488 178105143 /nfs/dbraw/zinc/10/51/43/178105143.db2.gz PKQZMJKITJEKQA-UHFFFAOYSA-N 1 0 221.304 1.467 10 0 BDAERO CC/C=C\CC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000342203829 365536580 /nfs/dbraw/zinc/53/65/80/365536580.db2.gz FZXNAOSKDXIOCD-LAWSMPECSA-N 1 0 240.391 1.730 10 0 BDAERO CCn1ccc([C@@H]2[NH2+]CC23CCOCC3)c1 ZINC000536958455 398199107 /nfs/dbraw/zinc/19/91/07/398199107.db2.gz FQTCONKVMDGCAT-LBPRGKRZSA-N 1 0 220.316 1.949 10 0 BDAERO Cc1cc(N2CC[C@@H](C[NH3+])C2)nc(Cl)n1 ZINC000095068822 178118138 /nfs/dbraw/zinc/11/81/38/178118138.db2.gz DSFSUVSHWLDPMD-QMMMGPOBSA-N 1 0 226.711 1.223 10 0 BDAERO CCOC1CC([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000162782817 538924809 /nfs/dbraw/zinc/92/48/09/538924809.db2.gz HOHRTGAPOFOEGX-VOBJUBJWSA-N 1 0 213.321 1.447 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000386275878 398204379 /nfs/dbraw/zinc/20/43/79/398204379.db2.gz CPPDAVBFJDGYOP-STQMWFEESA-N 1 0 226.364 1.175 10 0 BDAERO Cc1cc(NC(=O)CC[C@@H]2CCCC[NH2+]2)n[nH]1 ZINC000104444640 178128897 /nfs/dbraw/zinc/12/88/97/178128897.db2.gz SYAKMEPWJAJXFL-JTQLQIEISA-N 1 0 236.319 1.579 10 0 BDAERO C[C@H](C[NH2+]C[C@H]1CN(C)CCO1)C(C)(C)C ZINC000162912087 538925458 /nfs/dbraw/zinc/92/54/58/538925458.db2.gz HUGMCCOOIXVMPY-NEPJUHHUSA-N 1 0 228.380 1.589 10 0 BDAERO CO[C@H](C)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000182067968 136218798 /nfs/dbraw/zinc/21/87/98/136218798.db2.gz CCGAYRIXYDOIKD-WOPDTQHZSA-N 1 0 213.321 1.665 10 0 BDAERO Cc1cc(NC[C@H]2CC[N@@H+](C)C2)ccc1N ZINC000037484570 178170505 /nfs/dbraw/zinc/17/05/05/178170505.db2.gz RLQHPBGQMHFOIV-LLVKDONJSA-N 1 0 219.332 1.941 10 0 BDAERO CCN(CC(C)C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000082920526 136222092 /nfs/dbraw/zinc/22/20/92/136222092.db2.gz DQRAIGWHHWMFAQ-QWRGUYRKSA-N 1 0 212.337 1.618 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccncc1 ZINC000082920248 136222122 /nfs/dbraw/zinc/22/21/22/136222122.db2.gz PFRUMIUDCAGIGH-ZJUUUORDSA-N 1 0 205.261 1.148 10 0 BDAERO CC(C)[C@@H]([NH3+])C(=O)N(Cc1ccccn1)C1CC1 ZINC000037803327 259300559 /nfs/dbraw/zinc/30/05/59/259300559.db2.gz PFCNJNSQKYECAX-CYBMUJFWSA-N 1 0 247.342 1.556 10 0 BDAERO CCC[C@@H](C[NH3+])[C@@H](O)CCSCC ZINC000164113779 538931306 /nfs/dbraw/zinc/93/13/06/538931306.db2.gz KEJPRYMXDNMBAL-UWVGGRQHSA-N 1 0 205.367 1.866 10 0 BDAERO Cc1cc(OC[C@@H]2CCCC[NH2+]2)ncn1 ZINC000051883531 178212080 /nfs/dbraw/zinc/21/20/80/178212080.db2.gz IBWSAMJWNQRBSY-JTQLQIEISA-N 1 0 207.277 1.306 10 0 BDAERO Cc1cc(OC[C@@H]2CCCC[NH2+]2)nc(Cl)n1 ZINC000095068980 178212131 /nfs/dbraw/zinc/21/21/31/178212131.db2.gz AGIDQLLAWFBXEK-VIFPVBQESA-N 1 0 241.722 1.959 10 0 BDAERO CCC[C@@H](C(=O)NC[C@H]1CCCOC1)[NH+](C)C ZINC000179571810 259304359 /nfs/dbraw/zinc/30/43/59/259304359.db2.gz IPYVFMCXRWQUNY-NEPJUHHUSA-N 1 0 242.363 1.260 10 0 BDAERO C[C@@H](CO)Nc1cccc(Cl)c1C[NH3+] ZINC000070821510 361774051 /nfs/dbraw/zinc/77/40/51/361774051.db2.gz ROJBNFCNDCTQLH-ZETCQYMHSA-N 1 0 214.696 1.591 10 0 BDAERO [NH3+]CC[C@H](O)c1c(F)cccc1Br ZINC000165068455 538934902 /nfs/dbraw/zinc/93/49/02/538934902.db2.gz ONCRWLVNHSOTFS-QMMMGPOBSA-N 1 0 248.095 1.970 10 0 BDAERO Cc1cc([C@@H](C)O)ccc1OCC[NH+](C)C ZINC000041243203 178234052 /nfs/dbraw/zinc/23/40/52/178234052.db2.gz NESSWILVEATUIF-LLVKDONJSA-N 1 0 223.316 1.989 10 0 BDAERO Cc1cc(C)c(CNC2CC[NH2+]CC2)cn1 ZINC000334867926 398236568 /nfs/dbraw/zinc/23/65/68/398236568.db2.gz JRZQGMTUEXGVBI-UHFFFAOYSA-N 1 0 219.332 1.540 10 0 BDAERO Cc1cc([C@H]([NH3+])[C@H]2COCCO2)c(C)s1 ZINC000055298963 178262742 /nfs/dbraw/zinc/26/27/42/178262742.db2.gz LYHPVXIMYZSIGH-MNOVXSKESA-N 1 0 227.329 1.780 10 0 BDAERO Cc1cc([C@H]([NH2+]C(C)C)C(N)=O)c(C)s1 ZINC000049687580 178262865 /nfs/dbraw/zinc/26/28/65/178262865.db2.gz KBGSDBJOPJUDRX-JTQLQIEISA-N 1 0 226.345 1.889 10 0 BDAERO Cc1cc([C@H](O)C[NH2+]CCN(C)C)ccc1F ZINC000049830208 178264159 /nfs/dbraw/zinc/26/41/59/178264159.db2.gz AWBDWGGGVDKFPA-CYBMUJFWSA-N 1 0 240.322 1.319 10 0 BDAERO Cc1cc2c(o1)CC[C@@H](C[NH+](C)C)C2=O ZINC000039105598 178293442 /nfs/dbraw/zinc/29/34/42/178293442.db2.gz OXVCTARYJHOHNX-VIFPVBQESA-N 1 0 207.273 1.895 10 0 BDAERO CN(C(=O)C1(C)CCC1)[C@@H]1CCC[NH2+]CC1 ZINC000576627477 365642541 /nfs/dbraw/zinc/64/25/41/365642541.db2.gz UKJSOWNTUDIJTO-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO CCC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1CC ZINC000168071133 538944795 /nfs/dbraw/zinc/94/47/95/538944795.db2.gz PSRTXDZIWWHDGK-WDEREUQCSA-N 1 0 248.392 1.046 10 0 BDAERO Cc1ccc(-c2nc([C@H](C)[NH3+])no2)cn1 ZINC000041052288 178337378 /nfs/dbraw/zinc/33/73/78/178337378.db2.gz YEYRLJCWUMULNC-ZETCQYMHSA-N 1 0 204.233 1.460 10 0 BDAERO Cc1ccc(-c2ncc(CC[NH3+])cn2)cc1 ZINC000054857423 178338751 /nfs/dbraw/zinc/33/87/51/178338751.db2.gz DBAIXMIOJQQELO-UHFFFAOYSA-N 1 0 213.284 1.953 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1csc(C)n1 ZINC000381463426 398258734 /nfs/dbraw/zinc/25/87/34/398258734.db2.gz LVBMKTMDAUNRGZ-POYBYMJQSA-N 1 0 227.333 1.366 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000381484292 398259280 /nfs/dbraw/zinc/25/92/80/398259280.db2.gz UPGDCRZAQDHSPZ-VGRIYTJTSA-N 1 0 210.321 1.276 10 0 BDAERO Cc1nn(-c2ccc(C)nn2)c(C)c1C[NH3+] ZINC000049960970 178348110 /nfs/dbraw/zinc/34/81/10/178348110.db2.gz PJARQDXLDIWMJY-UHFFFAOYSA-N 1 0 217.276 1.046 10 0 BDAERO Cc1c(C[NH3+])cnn1-c1ccc(C)cc1 ZINC000048218313 178349336 /nfs/dbraw/zinc/34/93/36/178349336.db2.gz VELAMJHSQWPXAN-UHFFFAOYSA-N 1 0 201.273 1.948 10 0 BDAERO Cc1ccc(Br)cc1[C@@](C)([NH3+])CO ZINC000077395136 178362300 /nfs/dbraw/zinc/36/23/00/178362300.db2.gz YEHYCOUBSINPJW-JTQLQIEISA-N 1 0 244.132 1.924 10 0 BDAERO Cc1ccc(-n2nnnc2[C@@H](C)[NH3+])cc1C ZINC000062493956 178350376 /nfs/dbraw/zinc/35/03/76/178350376.db2.gz YJYWFJFRLXDPDT-SECBINFHSA-N 1 0 217.276 1.299 10 0 BDAERO Cc1ccc(-n2nncc2C[NH3+])cc1Cl ZINC000062247069 178350660 /nfs/dbraw/zinc/35/06/60/178350660.db2.gz PGYHCIOJAAZNGF-UHFFFAOYSA-N 1 0 222.679 1.688 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@@H](O)CCCSC ZINC000231743923 538952862 /nfs/dbraw/zinc/95/28/62/538952862.db2.gz KIJSZUZZXUZAQF-UWVGGRQHSA-N 1 0 205.367 1.866 10 0 BDAERO Cc1ccc(C(=O)N(CC[NH3+])C2CC2)o1 ZINC000041056813 178382868 /nfs/dbraw/zinc/38/28/68/178382868.db2.gz UTROFDPDJMEBBC-UHFFFAOYSA-N 1 0 208.261 1.151 10 0 BDAERO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000378746454 346822283 /nfs/dbraw/zinc/82/22/83/346822283.db2.gz ROPCJRRKWJNUKS-WRWGMCAJSA-N 1 0 245.388 1.588 10 0 BDAERO CCC(CC)N(CCO)c1cc[nH+]c(CO)c1 ZINC000042513004 168374083 /nfs/dbraw/zinc/37/40/83/168374083.db2.gz KMRKVCVUOZLMGU-UHFFFAOYSA-N 1 0 238.331 1.561 10 0 BDAERO CCC(CC)N(CCO)c1cc(C[NH3+])ccn1 ZINC000042482738 168374595 /nfs/dbraw/zinc/37/45/95/168374595.db2.gz WORKCRDSOBWAKP-UHFFFAOYSA-N 1 0 237.347 1.528 10 0 BDAERO CCC(CC)[N@H+](CCO)[C@@H]1CCCC[C@@H]1O ZINC000042512570 168374784 /nfs/dbraw/zinc/37/47/84/168374784.db2.gz QHMNQUGCYRIQLZ-OLZOCXBDSA-N 1 0 229.364 1.773 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000071140079 178395316 /nfs/dbraw/zinc/39/53/16/178395316.db2.gz GRGZLEKXYJMZOJ-LLVKDONJSA-N 1 0 248.326 1.477 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1N ZINC000062964178 178395817 /nfs/dbraw/zinc/39/58/17/178395817.db2.gz FLNFAYZBLBWHPB-GFCCVEGCSA-N 1 0 247.342 1.353 10 0 BDAERO OCC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000381675477 398268217 /nfs/dbraw/zinc/26/82/17/398268217.db2.gz XGPRMYJJEZQFTD-STQMWFEESA-N 1 0 227.348 1.242 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000378808540 346839666 /nfs/dbraw/zinc/83/96/66/346839666.db2.gz YIWDUSVYTLUXDK-BFHYXJOUSA-N 1 0 217.312 1.514 10 0 BDAERO Cc1cc([C@@H](O)C(C)(C)C[NH3+])sn1 ZINC000404472426 538955258 /nfs/dbraw/zinc/95/52/58/538955258.db2.gz RZTWLPACBFTPSA-MRVPVSSYSA-N 1 0 200.307 1.470 10 0 BDAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(C)(C)O ZINC000335143060 136233613 /nfs/dbraw/zinc/23/36/13/136233613.db2.gz GJIJWGDRDQKILM-AOOOYVTPSA-N 1 0 201.310 1.257 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1ccns1 ZINC000404459295 538955505 /nfs/dbraw/zinc/95/55/05/538955505.db2.gz YTAFXZFQHQKELU-IUCAKERBSA-N 1 0 200.307 1.552 10 0 BDAERO COc1ccc(F)c(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000378836501 346843624 /nfs/dbraw/zinc/84/36/24/346843624.db2.gz 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SGMDFWKELXIHQV-UHFFFAOYSA-N 1 0 232.327 1.444 10 0 BDAERO COCc1cc(/C=C2\C[NH+]3CCC2CC3)on1 ZINC000000021935 398277244 /nfs/dbraw/zinc/27/72/44/398277244.db2.gz IGLNFGAFAJPGSU-IZZDOVSWSA-N 1 0 234.299 1.930 10 0 BDAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)COC ZINC000034938796 168382427 /nfs/dbraw/zinc/38/24/27/168382427.db2.gz HOFWTKOZSSECKF-UWVGGRQHSA-N 1 0 230.352 1.304 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ncc(Cl)s1 ZINC000306652282 361863592 /nfs/dbraw/zinc/86/35/92/361863592.db2.gz GKSXULFDWYJQFV-RFZPGFLSSA-N 1 0 233.724 1.718 10 0 BDAERO Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038048867 178432350 /nfs/dbraw/zinc/43/23/50/178432350.db2.gz XONCOGUYTUKBTI-OLZOCXBDSA-N 1 0 232.327 1.995 10 0 BDAERO CCC(CC)NC(=O)[C@H](C)OC[C@@H]1CCC[NH2+]1 ZINC000051816316 168383872 /nfs/dbraw/zinc/38/38/72/168383872.db2.gz KKTXBGPFEPMJJZ-JQWIXIFHSA-N 1 0 242.363 1.448 10 0 BDAERO C[C@@H]1C[C@H](C)[C@H](CNC(=O)C(F)(F)F)C[NH2+]1 ZINC000306657400 361866823 /nfs/dbraw/zinc/86/68/23/361866823.db2.gz MUHXQUQZDSAMPE-RNJXMRFFSA-N 1 0 238.253 1.299 10 0 BDAERO C[C@@]1(CN=S(C)(C)=O)CCC[NH2+]C1 ZINC000306659901 361868609 /nfs/dbraw/zinc/86/86/09/361868609.db2.gz PPEYRHQKLFCDBV-SECBINFHSA-N 1 0 204.339 1.104 10 0 BDAERO Cn1ncc2c1CCC[C@@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038096050 538965515 /nfs/dbraw/zinc/96/55/15/538965515.db2.gz PHLOBOMBIJPFEH-AAEUAGOBSA-N 1 0 249.358 1.956 10 0 BDAERO Cn1cnnc1S[C@@H]1CCC[C@H]1C[NH3+] ZINC000035724110 342757227 /nfs/dbraw/zinc/75/72/27/342757227.db2.gz AXSOKRCCMSOPHS-JGVFFNPUSA-N 1 0 212.322 1.035 10 0 BDAERO Cn1ccnc1S[C@H]1CCC[C@H]1C[NH3+] ZINC000035722653 342758322 /nfs/dbraw/zinc/75/83/22/342758322.db2.gz CIJIFUKDUDQHPZ-IUCAKERBSA-N 1 0 211.334 1.640 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](COc2ccccc2)OC1 ZINC000146006817 342764124 /nfs/dbraw/zinc/76/41/24/342764124.db2.gz KCBYMILXUKIHQJ-DGCLKSJQSA-N 1 0 221.300 1.819 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](COc2ccccc2)OC1 ZINC000146006207 342764148 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/nfs/dbraw/zinc/93/66/45/361936645.db2.gz BTCHRSPILQXBHN-NXEZZACHSA-N 1 0 221.304 1.630 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+]CCCF)[C@H](C)C1 ZINC000380031881 538984091 /nfs/dbraw/zinc/98/40/91/538984091.db2.gz QNKCJFJNUJABKR-KOLCDFICSA-N 1 0 216.300 1.193 10 0 BDAERO O=C(CC1CC1)NC[C@H]1CCCC[NH2+]C1 ZINC000380035053 538984382 /nfs/dbraw/zinc/98/43/82/538984382.db2.gz RSRWZVDRMHGHRA-NSHDSACASA-N 1 0 210.321 1.292 10 0 BDAERO CC(C)CCC[NH2+]C1CCN(CCO)CC1 ZINC000381528329 539003185 /nfs/dbraw/zinc/00/31/85/539003185.db2.gz XUYPUTWHWKHQJJ-UHFFFAOYSA-N 1 0 228.380 1.469 10 0 BDAERO CC(C)(C)OC(=O)N1CCS[C@H](C[NH3+])C1 ZINC000143773148 361959264 /nfs/dbraw/zinc/95/92/64/361959264.db2.gz RITABWPCDMSRLU-MRVPVSSYSA-N 1 0 232.349 1.298 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CCCOC1 ZINC000381757056 539007008 /nfs/dbraw/zinc/00/70/08/539007008.db2.gz SKLSBWDPEVVMDZ-RVMXOQNASA-N 1 0 227.348 1.695 10 0 BDAERO CSC(C)(C)C[C@@H](O)C(C)(C)C[NH3+] ZINC000385230105 539012997 /nfs/dbraw/zinc/01/29/97/539012997.db2.gz NPMUTMVTNMRPGE-MRVPVSSYSA-N 1 0 205.367 1.864 10 0 BDAERO CC(=O)N1CC[C@@H]([NH2+]C2CCCC2)[C@H](C)C1 ZINC000390654000 539027041 /nfs/dbraw/zinc/02/70/41/539027041.db2.gz QAMLDILLYALSAH-ZWNOBZJWSA-N 1 0 224.348 1.776 10 0 BDAERO C[N@@H+]1CC[C@H](Cn2cc(Cl)c(N)n2)C1 ZINC000709403014 539027415 /nfs/dbraw/zinc/02/74/15/539027415.db2.gz NNSIDWQOWLSMEK-ZETCQYMHSA-N 1 0 214.700 1.070 10 0 BDAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CCCCC1)C2 ZINC000709833720 539027482 /nfs/dbraw/zinc/02/74/82/539027482.db2.gz BDHPAMDYNOKUTJ-UHTWSYAYSA-N 1 0 236.359 1.905 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399464384 398308019 /nfs/dbraw/zinc/30/80/19/398308019.db2.gz KRCKXTHWEBYYST-YNEHKIRRSA-N 1 0 245.363 1.009 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1sccc1Cl ZINC000229952108 342859016 /nfs/dbraw/zinc/85/90/16/342859016.db2.gz VUTSCKVIMWUOLV-MRVPVSSYSA-N 1 0 205.710 1.828 10 0 BDAERO Cc1nnsc1[C@@H]([NH3+])Cc1cncs1 ZINC000164952675 342859699 /nfs/dbraw/zinc/85/96/99/342859699.db2.gz XAONGGAIHVAQEV-ZETCQYMHSA-N 1 0 226.330 1.546 10 0 BDAERO CC[C@@H]([NH3+])CC(=O)NCc1ccccc1 ZINC000127105859 342880408 /nfs/dbraw/zinc/88/04/08/342880408.db2.gz KTYPDBZEXSAIKJ-LLVKDONJSA-N 1 0 206.289 1.430 10 0 BDAERO COC(=O)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000035735537 342891053 /nfs/dbraw/zinc/89/10/53/342891053.db2.gz PUFXPBKUOMOWEP-VHSXEESVSA-N 1 0 215.293 1.097 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CC1(OC)CCC1 ZINC000232987709 342891084 /nfs/dbraw/zinc/89/10/84/342891084.db2.gz CDVWBNFDKGEFAS-LBPRGKRZSA-N 1 0 245.363 1.323 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CC1(C)C ZINC000232988956 342891332 /nfs/dbraw/zinc/89/13/32/342891332.db2.gz LMMYYWGNIRWGHO-RYUDHWBXSA-N 1 0 229.364 1.800 10 0 BDAERO C[NH+](C)CCN1Cc2ccc(N)cc2C1 ZINC000019941708 398315099 /nfs/dbraw/zinc/31/50/99/398315099.db2.gz AXUCVSSPMSUBAH-UHFFFAOYSA-N 1 0 205.305 1.146 10 0 BDAERO C[NH2+][C@H]1CCCN(c2nc(Cl)cs2)C1 ZINC000165293526 342900342 /nfs/dbraw/zinc/90/03/42/342900342.db2.gz VVNWHMOGWQKGAY-ZETCQYMHSA-N 1 0 231.752 1.985 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)Cc2ccccc2)C1 ZINC000226596528 342900598 /nfs/dbraw/zinc/90/05/98/342900598.db2.gz LOVOALSPQGDQNE-NEPJUHHUSA-N 1 0 203.285 1.926 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000233302379 342902187 /nfs/dbraw/zinc/90/21/87/342902187.db2.gz NXMUOGPEPXDSFO-KOLCDFICSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@H](C[NH3+])S(=O)(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000218124787 398325653 /nfs/dbraw/zinc/32/56/53/398325653.db2.gz LFPYEWFZZTWMHO-OPRDCNLKSA-N 1 0 219.350 1.327 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000234429661 342925291 /nfs/dbraw/zinc/92/52/91/342925291.db2.gz WKXBFIUWIGWKOM-GMTAPVOTSA-N 1 0 212.337 1.537 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCCCCC1 ZINC000134889939 342917432 /nfs/dbraw/zinc/91/74/32/342917432.db2.gz VVKQLHZTJCXEJW-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO [NH3+]C[C@@H]1CCCN1c1nc(Cl)cs1 ZINC000165344002 342920153 /nfs/dbraw/zinc/92/01/53/342920153.db2.gz HEOJRHFYYMIIPR-LURJTMIESA-N 1 0 217.725 1.724 10 0 BDAERO Cc1nnc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000392368826 398325311 /nfs/dbraw/zinc/32/53/11/398325311.db2.gz XAPZMSARWCUNCI-IVZWLZJFSA-N 1 0 206.293 1.391 10 0 BDAERO [NH3+][C@H]1[C@@H]2C[C@@H]2C[C@H]1NC(=O)OCc1ccccc1 ZINC000575440862 398328135 /nfs/dbraw/zinc/32/81/35/398328135.db2.gz QRKQXCJENHSQTK-LPWJVIDDSA-N 1 0 246.310 1.649 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CCC(C)C ZINC000037817911 398334562 /nfs/dbraw/zinc/33/45/62/398334562.db2.gz QWLOPXYJQSJXEM-WDEREUQCSA-N 1 0 214.353 1.864 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccon1 ZINC000175330641 346894611 /nfs/dbraw/zinc/89/46/11/346894611.db2.gz WICVNSZNXUJGPC-GFCCVEGCSA-N 1 0 223.320 1.591 10 0 BDAERO COCCC[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000177731494 536667252 /nfs/dbraw/zinc/66/72/52/536667252.db2.gz KBAXGUJKYRKJKB-STQMWFEESA-N 1 0 244.379 1.112 10 0 BDAERO COCCC1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000234815741 342953918 /nfs/dbraw/zinc/95/39/18/342953918.db2.gz JCBJDTNSJFBQCC-MNOVXSKESA-N 1 0 240.347 1.047 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000040502426 346902236 /nfs/dbraw/zinc/90/22/36/346902236.db2.gz DLACWPOPHURVIR-CYBMUJFWSA-N 1 0 219.332 1.656 10 0 BDAERO [NH3+][C@@H]1CCCc2cc(F)cc(F)c2[C@@H]1O ZINC000019795560 342958243 /nfs/dbraw/zinc/95/82/43/342958243.db2.gz AAGXSOBZYCDVBP-MWLCHTKSSA-N 1 0 213.227 1.662 10 0 BDAERO CSc1ccc(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000308748301 346908577 /nfs/dbraw/zinc/90/85/77/346908577.db2.gz SLJRQVZNDHDQTA-IONNQARKSA-N 1 0 229.370 1.940 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000305984393 259337291 /nfs/dbraw/zinc/33/72/91/259337291.db2.gz GAKAMPWGHNRZSY-CHWSQXEVSA-N 1 0 244.423 1.959 10 0 BDAERO CC(C)c1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000020434134 342985241 /nfs/dbraw/zinc/98/52/41/342985241.db2.gz WFUKDNHRRPRSNH-STQMWFEESA-N 1 0 248.326 1.471 10 0 BDAERO C[C@@H](O)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308741570 259340266 /nfs/dbraw/zinc/34/02/66/259340266.db2.gz OZUSUKNCLIPNSU-OUAUKWLOSA-N 1 0 203.301 1.875 10 0 BDAERO O=C1OC2(CC[NH2+]CC2)c2cccc(F)c21 ZINC000117741760 343015481 /nfs/dbraw/zinc/01/54/81/343015481.db2.gz RVTWEEKLHYNZRC-UHFFFAOYSA-N 1 0 221.231 1.575 10 0 BDAERO O=C(CC(F)(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159218640 349749264 /nfs/dbraw/zinc/74/92/64/349749264.db2.gz AUZRAXLUJSSEBM-OCAPTIKFSA-N 1 0 236.237 1.292 10 0 BDAERO CC[C@H](O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162580476 349756663 /nfs/dbraw/zinc/75/66/63/349756663.db2.gz GBRGSAQRIMUIJG-YFKTTZPYSA-N 1 0 227.348 1.551 10 0 BDAERO CC(C)C[C@H](C[NH3+])NC(=O)C1CC(C)C1 ZINC000309445853 259343126 /nfs/dbraw/zinc/34/31/26/259343126.db2.gz LIYYFELGQDQYJW-VQXHTEKXSA-N 1 0 212.337 1.522 10 0 BDAERO C[C@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1[NH3+] ZINC000235732112 343058569 /nfs/dbraw/zinc/05/85/69/343058569.db2.gz CJPCHASWWMPUHA-JOYOIKCWSA-N 1 0 243.310 1.587 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1O ZINC000235632632 343054928 /nfs/dbraw/zinc/05/49/28/343054928.db2.gz MMROJRRKWSKAMR-ONGXEEELSA-N 1 0 234.299 1.120 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000247080373 343065563 /nfs/dbraw/zinc/06/55/63/343065563.db2.gz IEVRJXZCYYGZSN-MXWKQRLJSA-N 1 0 225.336 1.036 10 0 BDAERO CCS(=O)(=O)C/C=C1/CCC[C@@H]([NH3+])C1 ZINC000233807673 343066454 /nfs/dbraw/zinc/06/64/54/343066454.db2.gz HGJYNCLCFVGOAC-ABRRARGCSA-N 1 0 217.334 1.249 10 0 BDAERO C[N@@H+]1CCC[C@H](c2ccccc2C(N)=O)C1 ZINC000139952095 343068195 /nfs/dbraw/zinc/06/81/95/343068195.db2.gz PCSUQAAUTHYCOL-JTQLQIEISA-N 1 0 218.300 1.595 10 0 BDAERO N[C@@H](C[NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000072201168 343069801 /nfs/dbraw/zinc/06/98/01/343069801.db2.gz JYVJQYMLVBUYBX-REOHCLBHSA-N 1 0 226.148 1.341 10 0 BDAERO Nc1cnc(C2(C(=[NH2+])NO)CC2)c2ccccc12 ZINC000584881751 343082805 /nfs/dbraw/zinc/08/28/05/343082805.db2.gz PLGJEAVMBCOHTO-UHFFFAOYSA-N 1 0 242.282 1.805 10 0 BDAERO COC(=O)[C@@H](CC(C)C)N1CC[C@H]([NH+](C)C)C1 ZINC000602890521 349795183 /nfs/dbraw/zinc/79/51/83/349795183.db2.gz NVTWSIPMQZGHMO-NWDGAFQWSA-N 1 0 242.363 1.210 10 0 BDAERO CC(C)[NH2+]C[C@H](O)C[C@](C)(O)C(C)(C)C ZINC000584883281 343086239 /nfs/dbraw/zinc/08/62/39/343086239.db2.gz KFWAXTUXPLLCRD-PWSUYJOCSA-N 1 0 217.353 1.533 10 0 BDAERO CC[C@H](C)[C@@](C)(O)C[C@H](O)C[NH2+]C(C)C ZINC000584883301 343086249 /nfs/dbraw/zinc/08/62/49/343086249.db2.gz LSBSGLVOZXDEPF-SRVKXCTJSA-N 1 0 217.353 1.533 10 0 BDAERO CC[C@](O)(C[C@H](O)C[NH2+]C(C)C)C(C)(C)C ZINC000584883294 343086315 /nfs/dbraw/zinc/08/63/15/343086315.db2.gz LCSSXVFSINHPQA-AAEUAGOBSA-N 1 0 231.380 1.923 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)CC(O)(C(C)C)C(C)C ZINC000584883592 343086679 /nfs/dbraw/zinc/08/66/79/343086679.db2.gz WEPLIJKVCBQBJW-LBPRGKRZSA-N 1 0 231.380 1.779 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1ccc(O)c(Cl)c1 ZINC000043476846 343087761 /nfs/dbraw/zinc/08/77/61/343087761.db2.gz IPUGKVJPQIZAMO-CDUCUWFYSA-N 1 0 201.653 1.426 10 0 BDAERO C1CO[C@H](c2n[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000072236835 343089017 /nfs/dbraw/zinc/08/90/17/343089017.db2.gz UZDPKYSFCQOLPF-VIFPVBQESA-N 1 0 222.292 1.123 10 0 BDAERO C[C@H]1SCCC[C@@]1(C[NH3+])N1CCC1 ZINC000306670208 362033415 /nfs/dbraw/zinc/03/34/15/362033415.db2.gz XKRGHBOUGOOMGJ-ZJUUUORDSA-N 1 0 200.351 1.305 10 0 BDAERO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000238097995 343076307 /nfs/dbraw/zinc/07/63/07/343076307.db2.gz JCUJOIBNKHIOMX-BXKDBHETSA-N 1 0 211.305 1.860 10 0 BDAERO CN(CC[NH+](C)C)c1cc(F)ccc1N ZINC000082539823 362049094 /nfs/dbraw/zinc/04/90/94/362049094.db2.gz JUNRSOGPWSZAPS-UHFFFAOYSA-N 1 0 211.284 1.406 10 0 BDAERO Cc1nn(C)cc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000168734353 136269891 /nfs/dbraw/zinc/26/98/91/136269891.db2.gz MXGGWYHFHVTYEK-CHWSQXEVSA-N 1 0 237.347 1.512 10 0 BDAERO Cc1cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)n[nH]1 ZINC000127521800 343178603 /nfs/dbraw/zinc/17/86/03/343178603.db2.gz MXFIYTXTXIOBFZ-LLVKDONJSA-N 1 0 222.292 1.189 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1ccc2nccnc2n1 ZINC000130542033 343181390 /nfs/dbraw/zinc/18/13/90/343181390.db2.gz ISGAXHDXHNQCGA-SNVBAGLBSA-N 1 0 245.330 1.954 10 0 BDAERO c1cnc2nc(N[C@H]3CCC[NH2+]C3)ccc2n1 ZINC000094726408 343157124 /nfs/dbraw/zinc/15/71/24/343157124.db2.gz CZQALRJWUCGVTE-VIFPVBQESA-N 1 0 229.287 1.189 10 0 BDAERO C[C@@]1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000094802515 343157247 /nfs/dbraw/zinc/15/72/47/343157247.db2.gz FHSQFJWANCPRLP-YPMHNXCESA-N 1 0 240.347 1.061 10 0 BDAERO CC(C)c1nsc(N2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000127013646 343171865 /nfs/dbraw/zinc/17/18/65/343171865.db2.gz YUMYAISGTCRESF-IUCAKERBSA-N 1 0 240.376 1.835 10 0 BDAERO Nc1cc[nH+]c(NCc2ccccn2)c1 ZINC000043568427 343172943 /nfs/dbraw/zinc/17/29/43/343172943.db2.gz AKUBWBXILRJMAR-UHFFFAOYSA-N 1 0 200.245 1.671 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N(C)C ZINC000128827908 343175482 /nfs/dbraw/zinc/17/54/82/343175482.db2.gz VYRVSIKARIDLJJ-JTQLQIEISA-N 1 0 213.325 1.084 10 0 BDAERO CC(C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000159572940 343202264 /nfs/dbraw/zinc/20/22/64/343202264.db2.gz FUNFXMYSPRXNRW-QWHCGFSZSA-N 1 0 238.375 1.881 10 0 BDAERO COC[C@@H]([NH3+])C(=O)Nc1c(C)cccc1F ZINC000160328731 343203544 /nfs/dbraw/zinc/20/35/44/343203544.db2.gz BQSOWDVMQCZUJS-SECBINFHSA-N 1 0 226.251 1.046 10 0 BDAERO [NH3+]CCC1CCN(c2ncc(Cl)cn2)CC1 ZINC000168062912 343209937 /nfs/dbraw/zinc/20/99/37/343209937.db2.gz QOIQQVIRODOHGM-UHFFFAOYSA-N 1 0 240.738 1.695 10 0 BDAERO CCc1nsc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000165743512 343212159 /nfs/dbraw/zinc/21/21/59/343212159.db2.gz FJRYPZJPOLKHNN-NKWVEPMBSA-N 1 0 214.338 1.638 10 0 BDAERO C[C@@H]1C[NH2+]C[C@](F)(c2ccns2)C1 ZINC000401756291 343218887 /nfs/dbraw/zinc/21/88/87/343218887.db2.gz RKGLEYKJYZBZEC-CBAPKCEASA-N 1 0 200.282 1.937 10 0 BDAERO CC(C)(C)C[NH2+]Cc1cnc2ccnn2c1 ZINC000309313920 343221376 /nfs/dbraw/zinc/22/13/76/343221376.db2.gz CMJAWJWKENBFBU-UHFFFAOYSA-N 1 0 218.304 1.865 10 0 BDAERO CN(CCC[NH3+])c1ccc(C(F)(F)F)nn1 ZINC000132492946 343188147 /nfs/dbraw/zinc/18/81/47/343188147.db2.gz SWWAWNRHLGSHKB-UHFFFAOYSA-N 1 0 234.225 1.280 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1c1nc(-c2ccco2)no1 ZINC000071001754 343225090 /nfs/dbraw/zinc/22/50/90/343225090.db2.gz UCXWAVZQCNPUCC-JGVFFNPUSA-N 1 0 219.244 1.924 10 0 BDAERO CC(C)[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162554778 136277480 /nfs/dbraw/zinc/27/74/80/136277480.db2.gz UAYVUQVPVKSMPZ-YFKTTZPYSA-N 1 0 227.348 1.406 10 0 BDAERO C[C@@H]1[C@H](N)CCC[N@@H+]1C[Si](C)(C)C ZINC000401789848 343241518 /nfs/dbraw/zinc/24/15/18/343241518.db2.gz HSTDCYKXQIAYHB-NXEZZACHSA-N 1 0 200.402 1.675 10 0 BDAERO CC(C)[C@@H](C[NH3+])N1CCOC(C)(C)C1 ZINC000036232181 167397556 /nfs/dbraw/zinc/39/75/56/167397556.db2.gz RASWVRMZYMAGPC-SNVBAGLBSA-N 1 0 200.326 1.081 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000051769720 343259917 /nfs/dbraw/zinc/25/99/17/343259917.db2.gz ZTUCXVUQGMHQKO-VXGBXAGGSA-N 1 0 249.310 1.808 10 0 BDAERO CCn1nc(C)cc1C1=CCC[N@H+](C)C1 ZINC000034568915 343274921 /nfs/dbraw/zinc/27/49/21/343274921.db2.gz ROVJGEOEVDTOCL-UHFFFAOYSA-N 1 0 205.305 1.930 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@@H](CC)c1ccccc1 ZINC000038284076 343373413 /nfs/dbraw/zinc/37/34/13/343373413.db2.gz CKJBSQCKHBRRHZ-NEPJUHHUSA-N 1 0 220.316 1.991 10 0 BDAERO CCN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000335671797 136313292 /nfs/dbraw/zinc/31/32/92/136313292.db2.gz WWFBYZOOVGOQJC-WDEREUQCSA-N 1 0 224.348 1.905 10 0 BDAERO CCOc1cc(CC(N)=[NH2+])ccc1OC ZINC000039099548 343383076 /nfs/dbraw/zinc/38/30/76/343383076.db2.gz VKGMJFILJHTJNT-UHFFFAOYSA-N 1 0 208.261 1.572 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC(SC)CC1 ZINC000300798810 343394316 /nfs/dbraw/zinc/39/43/16/343394316.db2.gz FCQFBUAEKRCCCT-SNVBAGLBSA-N 1 0 230.377 1.468 10 0 BDAERO Cc1ccc(CC2=[NH+]CCN2)c(C)c1O ZINC000013779797 178524482 /nfs/dbraw/zinc/52/44/82/178524482.db2.gz WWYUBWHZLAVZDY-UHFFFAOYSA-N 1 0 204.273 1.553 10 0 BDAERO [NH3+][C@H]1CCCCC[C@@H]1N1CCSCC1 ZINC000040989043 343411735 /nfs/dbraw/zinc/41/17/35/343411735.db2.gz HEGNTSHAFWCHGC-QWRGUYRKSA-N 1 0 214.378 1.695 10 0 BDAERO C[N@H+](CC1CC(O)C1)C[C@H]1CCC(C)(C)O1 ZINC000166288061 136331472 /nfs/dbraw/zinc/33/14/72/136331472.db2.gz XBYHTPZWVQBKIQ-HTAVTVPLSA-N 1 0 227.348 1.647 10 0 BDAERO c1snnc1CNCC[NH+]1CCCCC1 ZINC000042340958 343434922 /nfs/dbraw/zinc/43/49/22/343434922.db2.gz LMFVMTYFYNEPOG-UHFFFAOYSA-N 1 0 226.349 1.114 10 0 BDAERO CC[C@H](C)CN(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082559127 343448378 /nfs/dbraw/zinc/44/83/78/343448378.db2.gz GSCLIHRTDBDOLI-GARJFASQSA-N 1 0 212.337 1.346 10 0 BDAERO CC(C)C[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559160 343448618 /nfs/dbraw/zinc/44/86/18/343448618.db2.gz SYKOWODAMLDRGK-OUAUKWLOSA-N 1 0 212.337 1.393 10 0 BDAERO CCC[C@H](C)[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000378473740 136366303 /nfs/dbraw/zinc/36/63/03/136366303.db2.gz PPGDXXSVUBDBDR-ONGXEEELSA-N 1 0 222.336 1.680 10 0 BDAERO Cc1nccc(CNCC[NH+]2CCCCC2)n1 ZINC000054790855 136373224 /nfs/dbraw/zinc/37/32/24/136373224.db2.gz MESZQEQGMDLYKH-UHFFFAOYSA-N 1 0 234.347 1.361 10 0 BDAERO Cc1nc2cccnc2n1[C@@H]1CCC[NH2+]C1 ZINC000258858393 136374007 /nfs/dbraw/zinc/37/40/07/136374007.db2.gz SSIQDAJABAVNJE-SNVBAGLBSA-N 1 0 216.288 1.664 10 0 BDAERO COC(=O)CCSCC[C@@H]1CCCC[NH2+]1 ZINC000043499597 343475999 /nfs/dbraw/zinc/47/59/99/343475999.db2.gz XDJBQNZGVQUXQY-JTQLQIEISA-N 1 0 231.361 1.815 10 0 BDAERO C[C@H](C[NH3+])CNc1nc2ccccc2o1 ZINC000083387660 343479899 /nfs/dbraw/zinc/47/98/99/343479899.db2.gz GSVBFJMXCZQXSO-MRVPVSSYSA-N 1 0 205.261 1.835 10 0 BDAERO CC(C)c1nsc(N2CCC[C@H]2C[NH3+])n1 ZINC000083672442 343494793 /nfs/dbraw/zinc/49/47/93/343494793.db2.gz RXMWEAITUMALCF-QMMMGPOBSA-N 1 0 226.349 1.589 10 0 BDAERO CC[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1 ZINC000044793808 343514768 /nfs/dbraw/zinc/51/47/68/343514768.db2.gz GQUDXODUSLUDIX-QWRGUYRKSA-N 1 0 220.316 1.849 10 0 BDAERO Nc1ncccc1[C@@H]1CCCCC[N@@H+]1CCO ZINC000616625944 343526065 /nfs/dbraw/zinc/52/60/65/343526065.db2.gz ZHICNDNIVYWWLF-LBPRGKRZSA-N 1 0 235.331 1.573 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@H]1CN(C)CCCO1 ZINC000616651220 343530901 /nfs/dbraw/zinc/53/09/01/343530901.db2.gz BWHOCKBVBRWTEU-SNVBAGLBSA-N 1 0 244.335 1.532 10 0 BDAERO CC1(C)C[N@H+](C[Si](C)(C)C)CCN1 ZINC000401810667 343538912 /nfs/dbraw/zinc/53/89/12/343538912.db2.gz SXBKBXUOFSCCPC-UHFFFAOYSA-N 1 0 200.402 1.548 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624235375 343578063 /nfs/dbraw/zinc/57/80/63/343578063.db2.gz JILMWFIBRNIMJA-KXNHARMFSA-N 1 0 213.321 1.305 10 0 BDAERO CSC1(C[NH2+]CC2CC(O)C2)CCC1 ZINC000379501487 343568404 /nfs/dbraw/zinc/56/84/04/343568404.db2.gz KJNNPYKKZYISSQ-UHFFFAOYSA-N 1 0 215.362 1.633 10 0 BDAERO CC(C)CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)C1CC1 ZINC000624238702 343586340 /nfs/dbraw/zinc/58/63/40/343586340.db2.gz WXHZZWSABARMQD-MJBXVCDLSA-N 1 0 241.375 1.941 10 0 BDAERO c1cc2c(s1)[C@]1(CCN(C3CC3)C1)[NH2+]CC2 ZINC000712536977 537788958 /nfs/dbraw/zinc/78/89/58/537788958.db2.gz QZZNYQSSXLUMEF-CYBMUJFWSA-N 1 0 234.368 1.957 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]C1CCCCCC1 ZINC000624236101 343581163 /nfs/dbraw/zinc/58/11/63/343581163.db2.gz WGZZNMOAGSWOKW-NEPJUHHUSA-N 1 0 213.321 1.449 10 0 BDAERO C[C@H](CC1CCC1)[NH2+][C@H]1CCOC[C@H]1O ZINC000624236933 343581744 /nfs/dbraw/zinc/58/17/44/343581744.db2.gz MZABCOONKFFMOR-ADEWGFFLSA-N 1 0 213.321 1.305 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000052395806 343600597 /nfs/dbraw/zinc/60/05/97/343600597.db2.gz VTRTXPYNLJNNJI-SECBINFHSA-N 1 0 229.283 1.781 10 0 BDAERO Cn1nc(C2CCCC2)nc1CC1C[NH2+]C1 ZINC000081767858 537789777 /nfs/dbraw/zinc/78/97/77/537789777.db2.gz WESHBGSYYQMYSK-UHFFFAOYSA-N 1 0 220.320 1.235 10 0 BDAERO Cc1cc(C)c(Cn2cc(C[NH3+])nn2)c(C)c1 ZINC000053301771 343646864 /nfs/dbraw/zinc/64/68/64/343646864.db2.gz JJUIYVYAZGYWJH-UHFFFAOYSA-N 1 0 230.315 1.710 10 0 BDAERO COC(=O)c1ccc(CCC[NH+](C)C)cc1 ZINC000169136770 343623514 /nfs/dbraw/zinc/62/35/14/343623514.db2.gz ACQXCYGFMNQINZ-UHFFFAOYSA-N 1 0 221.300 1.967 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@@H]2CCCC(=O)C2)[C@H]1CO ZINC000299913747 343629169 /nfs/dbraw/zinc/62/91/69/343629169.db2.gz RDAQATLWWSDMAY-FOGDFJRCSA-N 1 0 211.305 1.201 10 0 BDAERO CC[C@H]([NH3+])CNc1nc2ccccc2[nH]1 ZINC000082579268 133502756 /nfs/dbraw/zinc/50/27/56/133502756.db2.gz KWXDNZKWPGXAGJ-QMMMGPOBSA-N 1 0 204.277 1.712 10 0 BDAERO COC(OC)[C@H]1CCNc2[nH+]c(C)cn21 ZINC000300015136 537802380 /nfs/dbraw/zinc/80/23/80/537802380.db2.gz GKVBNODWQWVUDV-MRVPVSSYSA-N 1 0 211.265 1.167 10 0 BDAERO C[C@H]1COC[C@H](CC(=O)c2ccsc2)[NH2+]1 ZINC000124435810 537805138 /nfs/dbraw/zinc/80/51/38/537805138.db2.gz NHGBKLVHISGGDC-WPRPVWTQSA-N 1 0 225.313 1.698 10 0 BDAERO C[C@@H]1CC[C@H]([C@H]2CCNc3[nH+]ccn32)O1 ZINC000300025965 537802858 /nfs/dbraw/zinc/80/28/58/537802858.db2.gz IMMUCPZINQCNFT-OPRDCNLKSA-N 1 0 207.277 1.807 10 0 BDAERO CC1(C)C[NH2+]Cc2cc3c(cc21)OCCO3 ZINC000062152922 343734489 /nfs/dbraw/zinc/73/44/89/343734489.db2.gz CZTSLFPZVAJWIW-UHFFFAOYSA-N 1 0 219.284 1.839 10 0 BDAERO C[C@H]1COC[C@H](CC(=O)c2cncs2)[NH2+]1 ZINC000124443043 537807376 /nfs/dbraw/zinc/80/73/76/537807376.db2.gz IWAQESFQLTZCCP-YUMQZZPRSA-N 1 0 226.301 1.093 10 0 BDAERO C[C@@H]1COC[C@@H](CC(=O)c2cncs2)[NH2+]1 ZINC000124443263 537807773 /nfs/dbraw/zinc/80/77/73/537807773.db2.gz IWAQESFQLTZCCP-HTQZYQBOSA-N 1 0 226.301 1.093 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@]([NH3+])(CF)C1 ZINC000216849950 343769190 /nfs/dbraw/zinc/76/91/90/343769190.db2.gz VLPXLQTUAYSBOS-NSHDSACASA-N 1 0 232.299 1.684 10 0 BDAERO C[C@@H](Cl)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038100659 343783330 /nfs/dbraw/zinc/78/33/30/343783330.db2.gz NSADWINGLIDCQE-SNVBAGLBSA-N 1 0 244.766 1.701 10 0 BDAERO C[NH2+]CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000037495180 343783356 /nfs/dbraw/zinc/78/33/56/343783356.db2.gz HNNDBIDGXYFVJB-UHFFFAOYSA-N 1 0 230.311 1.522 10 0 BDAERO CNc1cc(NCc2ccccn2)nc(C)[nH+]1 ZINC000128606904 343787891 /nfs/dbraw/zinc/78/78/91/343787891.db2.gz BHKAMOWCOAKSCX-UHFFFAOYSA-N 1 0 229.287 1.834 10 0 BDAERO [NH3+][C@H]1CCN(c2cc(-c3ccco3)[nH]n2)C1 ZINC000129670478 343788397 /nfs/dbraw/zinc/78/83/97/343788397.db2.gz QVBUWHBFGCTIFN-QMMMGPOBSA-N 1 0 218.260 1.207 10 0 BDAERO [NH3+]CC(=O)N1CCOc2ccc(Cl)cc2C1 ZINC000214509885 343792443 /nfs/dbraw/zinc/79/24/43/343792443.db2.gz AKLSFOONYRZAOY-UHFFFAOYSA-N 1 0 240.690 1.020 10 0 BDAERO CC(=[NH2+])Nc1ccc(S(C)(=O)=O)cc1 ZINC000062987026 349864558 /nfs/dbraw/zinc/86/45/58/349864558.db2.gz LUQSATYDJGDLNU-UHFFFAOYSA-N 1 0 212.274 1.499 10 0 BDAERO CC(C)N(C(=O)O[C@@H]1CC[NH2+]C1)C(C)C ZINC000231561695 343794181 /nfs/dbraw/zinc/79/41/81/343794181.db2.gz JNEUNEBEXMKTAT-SNVBAGLBSA-N 1 0 214.309 1.604 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H](C(F)(F)F)C1 ZINC000304414073 343797144 /nfs/dbraw/zinc/79/71/44/343797144.db2.gz OODUVXCBICIMKY-SFYZADRCSA-N 1 0 236.237 1.149 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CC[C@H](C(F)(F)F)C1 ZINC000304437629 343797589 /nfs/dbraw/zinc/79/75/89/343797589.db2.gz SGBWCTROJDSDPF-SFYZADRCSA-N 1 0 236.237 1.007 10 0 BDAERO C[C@@H]([NH3+])C(=O)N(C1CC1)C1CCSCC1 ZINC000409427360 343800662 /nfs/dbraw/zinc/80/06/62/343800662.db2.gz FAJSOGMSMXITDF-MRVPVSSYSA-N 1 0 228.361 1.220 10 0 BDAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000336658156 537820249 /nfs/dbraw/zinc/82/02/49/537820249.db2.gz IOEQGOXPIFHICF-AGIUHOORSA-N 1 0 226.364 1.341 10 0 BDAERO Cc1ccsc1Cn1cc(C[NH3+])nn1 ZINC000409422508 343813680 /nfs/dbraw/zinc/81/36/80/343813680.db2.gz FEEGTWXPVIMHIB-UHFFFAOYSA-N 1 0 208.290 1.155 10 0 BDAERO C/C(=C/c1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000409422830 343814210 /nfs/dbraw/zinc/81/42/10/343814210.db2.gz JFTQAHKEWAFCRQ-QXMHVHEDSA-N 1 0 230.311 1.522 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@H]2CF)cc1 ZINC000409422906 343814421 /nfs/dbraw/zinc/81/44/21/343814421.db2.gz MBTFJWPNHRSPBP-ZYHUDNBSSA-N 1 0 209.264 1.968 10 0 BDAERO [NH3+]Cc1ccc(OCC2CC(F)(F)C2)nc1 ZINC000409423145 343814719 /nfs/dbraw/zinc/81/47/19/343814719.db2.gz AFFWGETYXGKNBX-UHFFFAOYSA-N 1 0 228.242 1.964 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000528495837 262950972 /nfs/dbraw/zinc/95/09/72/262950972.db2.gz WLNMKGHYOMGBJS-ONGXEEELSA-N 1 0 224.348 1.679 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1cc(C)nc(CC)n1 ZINC000336719715 346982188 /nfs/dbraw/zinc/98/21/88/346982188.db2.gz WCGUXHISZPTTQV-NSHDSACASA-N 1 0 236.363 1.699 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N1C[C@H]2[C@H](CCC2(F)F)C1 ZINC000409425162 343818732 /nfs/dbraw/zinc/81/87/32/343818732.db2.gz FHWSJSVYRBCJIT-UTLUCORTSA-N 1 0 244.285 1.242 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H](C(F)F)C1 ZINC000409425447 343819302 /nfs/dbraw/zinc/81/93/02/343819302.db2.gz FWVVXMDLGBGZQS-BDAKNGLRSA-N 1 0 232.274 1.242 10 0 BDAERO CCOC[C@H]1CN(C(N)=[NH2+])CC12CCCCC2 ZINC000409425525 343819807 /nfs/dbraw/zinc/81/98/07/343819807.db2.gz AMFPAMOTLZNFDC-LLVKDONJSA-N 1 0 239.363 1.799 10 0 BDAERO [NH2+]=C(CN1CCC[C@H]1c1cccnc1)NO ZINC000409426071 343821397 /nfs/dbraw/zinc/82/13/97/343821397.db2.gz CPRFIMGSWVQIRV-JTQLQIEISA-N 1 0 220.276 1.175 10 0 BDAERO O=C(C1CC[NH2+]CC1)N1CC[C@H](C(F)F)C1 ZINC000409432207 343825596 /nfs/dbraw/zinc/82/55/96/343825596.db2.gz UUZGEBMMGDRKKS-VIFPVBQESA-N 1 0 232.274 1.100 10 0 BDAERO [NH3+]C[C@@]12CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409430129 343807523 /nfs/dbraw/zinc/80/75/23/343807523.db2.gz LIIHLGGEVZMUBJ-UONOGXRCSA-N 1 0 216.328 1.857 10 0 BDAERO NC(=[NH2+])CCc1c[nH]nc1-c1ccco1 ZINC000409440668 343852964 /nfs/dbraw/zinc/85/29/64/343852964.db2.gz NUDQHXVYRMAEDX-UHFFFAOYSA-N 1 0 204.233 1.538 10 0 BDAERO [NH3+]Cc1cc(-c2cnccn2)nc(C2CC2)n1 ZINC000409440576 343852978 /nfs/dbraw/zinc/85/29/78/343852978.db2.gz XNOVAMIKMXBHIQ-UHFFFAOYSA-N 1 0 227.271 1.270 10 0 BDAERO CCn1nc(C(F)(F)F)c2c1CC[NH2+]C2 ZINC000409441117 343855080 /nfs/dbraw/zinc/85/50/80/343855080.db2.gz WMVDOKFDVBHQPA-UHFFFAOYSA-N 1 0 219.210 1.568 10 0 BDAERO [NH3+]Cc1c(-c2cccnc2)n[nH]c1C1CC1 ZINC000409441257 343855581 /nfs/dbraw/zinc/85/55/81/343855581.db2.gz QKSMJCGJBUMJQP-UHFFFAOYSA-N 1 0 214.272 1.808 10 0 BDAERO Cn1nccc1-c1ncc(C[NH3+])cc1Cl ZINC000409436741 343836631 /nfs/dbraw/zinc/83/66/31/343836631.db2.gz ZJLFFDHFWFORFM-UHFFFAOYSA-N 1 0 222.679 1.594 10 0 BDAERO COC[C@]12C[N@H+](CCO)C[C@@H]1CCCC2 ZINC000409436098 343837369 /nfs/dbraw/zinc/83/73/69/343837369.db2.gz YCPMDYJOCXTYSM-RYUDHWBXSA-N 1 0 213.321 1.117 10 0 BDAERO [NH3+]Cc1cn(CCF)nc1-c1cccnc1 ZINC000409436759 343837592 /nfs/dbraw/zinc/83/75/92/343837592.db2.gz ADWVILNYBPSOGX-UHFFFAOYSA-N 1 0 220.251 1.373 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000409435725 343839926 /nfs/dbraw/zinc/83/99/26/343839926.db2.gz WHNAQTUBXNDVAL-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO Cn1ccn2nc(C3CCC3)c(C(N)=[NH2+])c12 ZINC000409436910 343841266 /nfs/dbraw/zinc/84/12/66/343841266.db2.gz AEXADFCYVXQKLA-UHFFFAOYSA-N 1 0 217.276 1.224 10 0 BDAERO Nc1cc(C(F)(F)F)nn1C[C@@H]1CCC[NH2+]1 ZINC000409437061 343842461 /nfs/dbraw/zinc/84/24/61/343842461.db2.gz DDBDHLLDLXXOAV-LURJTMIESA-N 1 0 234.225 1.236 10 0 BDAERO Nc1cc(C(F)(F)F)nn1C[C@H]1CCC[NH2+]C1 ZINC000409438502 343844235 /nfs/dbraw/zinc/84/42/35/343844235.db2.gz LQMFREQYKGBDCL-ZETCQYMHSA-N 1 0 248.252 1.484 10 0 BDAERO CCn1cc(C[NH2+]C)c(-c2cnccn2)n1 ZINC000409438561 343844814 /nfs/dbraw/zinc/84/48/14/343844814.db2.gz LUWFYZSUYYKJEY-UHFFFAOYSA-N 1 0 217.276 1.079 10 0 BDAERO c1cn([C@@H]2CCC[NH2+]C2)nc1-c1cccnc1 ZINC000409438672 343845004 /nfs/dbraw/zinc/84/50/04/343845004.db2.gz DYNITOFGUDIRMW-GFCCVEGCSA-N 1 0 228.299 1.870 10 0 BDAERO CCc1cc(-c2cccnc2)nn1CC(N)=[NH2+] ZINC000409438778 343845521 /nfs/dbraw/zinc/84/55/21/343845521.db2.gz FWSNGCOCFKIMDP-UHFFFAOYSA-N 1 0 229.287 1.443 10 0 BDAERO COc1ccc([C@@H]2C[C@@H](CO)C[N@@H+]2C)cc1 ZINC000409438986 343846133 /nfs/dbraw/zinc/84/61/33/343846133.db2.gz FKCYFHAVLYRXJN-MFKMUULPSA-N 1 0 221.300 1.680 10 0 BDAERO [NH3+]Cc1cc(-c2ccccn2)nc(C2CC2)n1 ZINC000409439512 343847397 /nfs/dbraw/zinc/84/73/97/343847397.db2.gz RQTSTCTXPREKCD-UHFFFAOYSA-N 1 0 226.283 1.875 10 0 BDAERO Cc1[nH]nc(C(F)(F)F)c1CCC(N)=[NH2+] ZINC000409439691 343847915 /nfs/dbraw/zinc/84/79/15/343847915.db2.gz QFHBROSKLBNDDA-UHFFFAOYSA-N 1 0 220.198 1.605 10 0 BDAERO CCc1[nH]nc(C2CC2)c1CN1CC[NH2+]CC1 ZINC000409438249 343850372 /nfs/dbraw/zinc/85/03/72/343850372.db2.gz BRKJERGLHCNBEZ-UHFFFAOYSA-N 1 0 234.347 1.255 10 0 BDAERO CCc1cc(-c2ccccn2)nn1CC(N)=[NH2+] ZINC000409440272 343851491 /nfs/dbraw/zinc/85/14/91/343851491.db2.gz LWUFKAHBWWJUJX-UHFFFAOYSA-N 1 0 229.287 1.443 10 0 BDAERO C[NH2+]Cc1c(-c2cnccn2)n[nH]c1C1CC1 ZINC000409440321 343851970 /nfs/dbraw/zinc/85/19/70/343851970.db2.gz MLWBKQQVZDFVBQ-UHFFFAOYSA-N 1 0 229.287 1.464 10 0 BDAERO CCc1[nH]nc(C2CCOCC2)c1C[NH3+] ZINC000409440342 343852004 /nfs/dbraw/zinc/85/20/04/343852004.db2.gz MWUZCIRVSYFHOT-UHFFFAOYSA-N 1 0 209.293 1.325 10 0 BDAERO CC(C)Cn1nc([C@H]2CCC[NH2+]C2)cc1CO ZINC000409442794 343864658 /nfs/dbraw/zinc/86/46/58/343864658.db2.gz AQJZIMJWFGHFCH-NSHDSACASA-N 1 0 237.347 1.498 10 0 BDAERO NC(=[NH2+])c1cc(-c2ccccc2)nn1CCF ZINC000409442977 343865065 /nfs/dbraw/zinc/86/50/65/343865065.db2.gz FALBBWJWPQSVCC-UHFFFAOYSA-N 1 0 232.262 1.804 10 0 BDAERO CC(C)=C[C@H]([NH3+])[C@H]1CSCCN1C ZINC000234313878 343940444 /nfs/dbraw/zinc/94/04/44/343940444.db2.gz LPBWCXJZKIVLCD-VHSXEESVSA-N 1 0 200.351 1.327 10 0 BDAERO C[C@]1(NCc2nnc(Cl)s2)CC[NH2+]C1 ZINC000230744073 347014385 /nfs/dbraw/zinc/01/43/85/347014385.db2.gz LLLDMXCTIFSTIR-QMMMGPOBSA-N 1 0 232.740 1.033 10 0 BDAERO CN1CCSC[C@H]1[C@@H]([NH3+])C1CCC1 ZINC000234349585 343943480 /nfs/dbraw/zinc/94/34/80/343943480.db2.gz UXYVDAJLMOUQBI-UWVGGRQHSA-N 1 0 200.351 1.161 10 0 BDAERO [NH3+][C@@H]1CCCCC[C@@H]1Nc1nncs1 ZINC000069967455 343945305 /nfs/dbraw/zinc/94/53/05/343945305.db2.gz FEVKSHWQWZDCPA-SFYZADRCSA-N 1 0 212.322 1.610 10 0 BDAERO CC[C@@H]([NH3+])c1noc([C@@H]2CCSC2)n1 ZINC000070004659 343946301 /nfs/dbraw/zinc/94/63/01/343946301.db2.gz KKVMGJYONGUJRF-RNFRBKRXSA-N 1 0 213.306 1.700 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1ccc(Cl)nn1 ZINC000070010761 343946313 /nfs/dbraw/zinc/94/63/13/343946313.db2.gz AYEVCNKIMFRPEZ-SSDOTTSWSA-N 1 0 214.700 1.525 10 0 BDAERO CC(C)CC[NH2+]Cc1cnc2ccnn2c1 ZINC000393769064 343926746 /nfs/dbraw/zinc/92/67/46/343926746.db2.gz GCQGRIACWFKGED-UHFFFAOYSA-N 1 0 218.304 1.865 10 0 BDAERO C[C@@H]1C[C@H]1C[NH2+]Cc1cnc2ccnn2c1 ZINC000309825522 343971354 /nfs/dbraw/zinc/97/13/54/343971354.db2.gz XHFONYIPCQJPJD-KOLCDFICSA-N 1 0 216.288 1.475 10 0 BDAERO [NH3+]CC(=O)Nc1c(F)cccc1Cl ZINC000135249163 343975418 /nfs/dbraw/zinc/97/54/18/343975418.db2.gz ATTJGPGZEBFGJT-UHFFFAOYSA-N 1 0 202.616 1.376 10 0 BDAERO Cc1ccc(C2(C[NH3+])CCOCC2)cn1 ZINC000082932858 362273424 /nfs/dbraw/zinc/27/34/24/362273424.db2.gz OGSUJHAKAXRTDB-UHFFFAOYSA-N 1 0 206.289 1.397 10 0 BDAERO CN[C@@H](C[NH3+])c1occc1Br ZINC000234425895 343965915 /nfs/dbraw/zinc/96/59/15/343965915.db2.gz DMFRIAJWCIZZJS-LURJTMIESA-N 1 0 219.082 1.261 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCSC(C)(C)C1 ZINC000135213080 343967462 /nfs/dbraw/zinc/96/74/62/343967462.db2.gz OHFKAHKUSGNEEE-SSDOTTSWSA-N 1 0 218.391 1.488 10 0 BDAERO CCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569202 344169582 /nfs/dbraw/zinc/16/95/82/344169582.db2.gz GOKMGCQXOHNOKI-STQMWFEESA-N 1 0 232.327 1.658 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CC1 ZINC000247411300 344178692 /nfs/dbraw/zinc/17/86/92/344178692.db2.gz QCVSKFUZJMEMQM-PWSUYJOCSA-N 1 0 237.347 1.275 10 0 BDAERO CNc1cc(-c2cccc(C[NH3+])c2)nc(N)n1 ZINC000209419155 344124791 /nfs/dbraw/zinc/12/47/91/344124791.db2.gz FJDFCDGHJLBGAT-UHFFFAOYSA-N 1 0 229.287 1.226 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCCC(F)(F)CC2)C1 ZINC000634737479 344135966 /nfs/dbraw/zinc/13/59/66/344135966.db2.gz SFSPSRGBJBQVIE-UWVGGRQHSA-N 1 0 246.301 1.762 10 0 BDAERO CC(C)c1nccc(NC[C@H]2CCC[NH2+]2)n1 ZINC000212411394 344137860 /nfs/dbraw/zinc/13/78/60/344137860.db2.gz 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/nfs/dbraw/zinc/85/35/42/537853542.db2.gz AQLCTASHHRDPNE-MNOVXSKESA-N 1 0 209.293 1.412 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336779711 537852079 /nfs/dbraw/zinc/85/20/79/537852079.db2.gz PHQICJZFXLUUPS-ZDDJMSTPSA-N 1 0 222.332 1.432 10 0 BDAERO Cc1ccc(C(=O)CN2CCC([NH3+])CC2)cc1C ZINC000050158274 344650424 /nfs/dbraw/zinc/65/04/24/344650424.db2.gz LYAFPMOYCFAVQJ-UHFFFAOYSA-N 1 0 246.354 1.909 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCCSC1)c1nnc[nH]1 ZINC000230426995 344655605 /nfs/dbraw/zinc/65/56/05/344655605.db2.gz XCLDVSDQFUPIIQ-SFYZADRCSA-N 1 0 212.322 1.351 10 0 BDAERO [NH3+]CC[C@H](O)c1nc(Br)cs1 ZINC000127832888 344660990 /nfs/dbraw/zinc/66/09/90/344660990.db2.gz VQGQQIZUZUQPEV-BYPYZUCNSA-N 1 0 237.122 1.288 10 0 BDAERO CC[C@H](O)[C@@H](C)[N@@H+]1CCOCC1(C)C ZINC000044178235 344675102 /nfs/dbraw/zinc/67/51/02/344675102.db2.gz RSTPIIRQWYPPEA-ZJUUUORDSA-N 1 0 201.310 1.257 10 0 BDAERO [NH3+][C@@H]1CN(Cc2ccc(Cl)s2)C1=O ZINC000227626219 344675162 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/nfs/dbraw/zinc/74/54/43/344745443.db2.gz VGRTUISRQVWUFB-UEJVZZJDSA-N 1 0 216.350 1.124 10 0 BDAERO Cn1ncnc1S[C@@H]1CCC[C@H]1C[NH3+] ZINC000127960236 344694307 /nfs/dbraw/zinc/69/43/07/344694307.db2.gz AIJHJLGZRLJISM-JGVFFNPUSA-N 1 0 212.322 1.035 10 0 BDAERO C[C@](O)(C[NH3+])c1ccc(Br)o1 ZINC000127983591 344705037 /nfs/dbraw/zinc/70/50/37/344705037.db2.gz MKBNQKVVEHMDFX-ZETCQYMHSA-N 1 0 220.066 1.208 10 0 BDAERO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@](C)(O)CC ZINC000380170836 344705220 /nfs/dbraw/zinc/70/52/20/344705220.db2.gz HETQAZBYCZLHMR-UTUOFQBUSA-N 1 0 215.337 1.695 10 0 BDAERO [NH3+][C@H]1CCC2(C[C@@H]1OC1CCC1)OCCO2 ZINC000050520170 344705694 /nfs/dbraw/zinc/70/56/94/344705694.db2.gz FXYOOEFEDQLQCC-QWRGUYRKSA-N 1 0 227.304 1.178 10 0 BDAERO COC1([C@H]2[NH2+]CCc3nc[nH]c32)CCCC1 ZINC000400390007 537855364 /nfs/dbraw/zinc/85/53/64/537855364.db2.gz KDGRMFKIBWFARD-NSHDSACASA-N 1 0 221.304 1.556 10 0 BDAERO C[C@]1(CC2CCC2)[NH2+]CCc2nc[nH]c21 ZINC000400400680 537855458 /nfs/dbraw/zinc/85/54/58/537855458.db2.gz NYPYACRXQWGYDG-GFCCVEGCSA-N 1 0 205.305 1.961 10 0 BDAERO O=[S@]1CCC[NH2+][C@H](C2CCCC2)C1 ZINC000158680336 344716340 /nfs/dbraw/zinc/71/63/40/344716340.db2.gz XQEWAWKDLXJLGF-GXFFZTMASA-N 1 0 201.335 1.287 10 0 BDAERO Cc1nn(CC(N)=[NH2+])c(C)c1Br ZINC000050593419 344717103 /nfs/dbraw/zinc/71/71/03/344717103.db2.gz WVBSYWNNMUTEIV-UHFFFAOYSA-N 1 0 231.097 1.198 10 0 BDAERO CC[C@]1([C@@H]2C[C@@H]2C)[NH2+]CCc2nc[nH]c21 ZINC000400425587 537856865 /nfs/dbraw/zinc/85/68/65/537856865.db2.gz ZZVZIDOJAHYZPK-YGOYTEALSA-N 1 0 205.305 1.817 10 0 BDAERO CN(C(=O)[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000153162691 344789235 /nfs/dbraw/zinc/78/92/35/344789235.db2.gz IVZCGGDGVYBTFS-QMMMGPOBSA-N 1 0 240.253 1.537 10 0 BDAERO C[C@@H](C[NH3+])Nc1ncc(Br)cc1F ZINC000235118650 344802194 /nfs/dbraw/zinc/80/21/94/344802194.db2.gz DIQPGNNCTFOGMT-YFKPBYRVSA-N 1 0 248.099 1.742 10 0 BDAERO Cc1ccnc(NC[C@@H](C)[NH3+])c1Br ZINC000235180415 344836307 /nfs/dbraw/zinc/83/63/07/344836307.db2.gz CNXFOEKZABGYSC-SSDOTTSWSA-N 1 0 244.136 1.912 10 0 BDAERO Cc1nc(CN2CC[N@@H+]3CCCC[C@H]3C2)[nH]c1C ZINC000628156900 344849729 /nfs/dbraw/zinc/84/97/29/344849729.db2.gz KYCZLGYSNTVZQJ-ZDUSSCGKSA-N 1 0 248.374 1.697 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[NH2+]1 ZINC000307526738 344851302 /nfs/dbraw/zinc/85/13/02/344851302.db2.gz IPQYEIDFNYVNKF-OPRDCNLKSA-N 1 0 228.336 1.992 10 0 BDAERO CC[C@@H]1CC[N@H+](C[C@@H]2CSCCN2)C1 ZINC000166331369 344858232 /nfs/dbraw/zinc/85/82/32/344858232.db2.gz ACZHSAIHSZBSOA-GHMZBOCLSA-N 1 0 214.378 1.423 10 0 BDAERO C[C@@H]([NH3+])Cc1noc(-c2cncs2)n1 ZINC000235208788 344844993 /nfs/dbraw/zinc/84/49/93/344844993.db2.gz KVULHPJGCNUHHT-RXMQYKEDSA-N 1 0 210.262 1.083 10 0 BDAERO Cc1ccc(NC[C@@H](C)[NH+](C)C)cc1N ZINC000061701891 178759325 /nfs/dbraw/zinc/75/93/25/178759325.db2.gz CKAAZOVUYCOSBZ-SNVBAGLBSA-N 1 0 207.321 1.939 10 0 BDAERO C[NH+](C)CC[C@]1(C)NCCc2ccoc21 ZINC000715208655 537868685 /nfs/dbraw/zinc/86/86/85/537868685.db2.gz ONSGRQJHEMLKQW-LBPRGKRZSA-N 1 0 208.305 1.592 10 0 BDAERO C[C@@H]1SCC[C@@]1(CN)[NH+]1CCCC1 ZINC000235333240 344887445 /nfs/dbraw/zinc/88/74/45/344887445.db2.gz AAKJVOSNXWLKGZ-UWVGGRQHSA-N 1 0 200.351 1.305 10 0 BDAERO Cc1nc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)[nH]c1C ZINC000628176163 344900614 /nfs/dbraw/zinc/90/06/14/344900614.db2.gz YNXBOFOLVJRIJF-ZWNOBZJWSA-N 1 0 248.374 1.695 10 0 BDAERO C[C@@H](O)c1cc(N2CC[NH2+]CC2)ccc1F ZINC000166491428 344907555 /nfs/dbraw/zinc/90/75/55/344907555.db2.gz TWOKQLVBAYZEIY-SECBINFHSA-N 1 0 224.279 1.289 10 0 BDAERO C[NH2+][C@H]1CCC(C)(C)C[C@@H]1S(C)(=O)=O ZINC000070623306 537873322 /nfs/dbraw/zinc/87/33/22/537873322.db2.gz ULLJHQFPRJPWFZ-IUCAKERBSA-N 1 0 219.350 1.198 10 0 BDAERO C[C@@]1(NC2=[NH+]CCCS2)CCCOC1 ZINC000235441906 344916193 /nfs/dbraw/zinc/91/61/93/344916193.db2.gz MQOCVXVVECXOBB-SNVBAGLBSA-N 1 0 214.334 1.638 10 0 BDAERO Brc1cn(C2CC[NH2+]CC2)cn1 ZINC000667414521 537875467 /nfs/dbraw/zinc/87/54/67/537875467.db2.gz BKRZJIJJMYKMKP-UHFFFAOYSA-N 1 0 230.109 1.570 10 0 BDAERO CC[C@@H]1CCN(Cc2nnsc2N)C1 ZINC000166621671 344947446 /nfs/dbraw/zinc/94/74/46/344947446.db2.gz IGGSRQDVGNZQHD-SSDOTTSWSA-N 1 0 212.322 1.352 10 0 BDAERO O[C@]1(c2ccc(Br)cc2)CC[NH2+]C1 ZINC000033856543 344978647 /nfs/dbraw/zinc/97/86/47/344978647.db2.gz ZOWUXJAQNHPMGX-SNVBAGLBSA-N 1 0 242.116 1.630 10 0 BDAERO COc1ccc2[nH]cc([C@H]([NH3+])CCO)c2c1 ZINC000044232354 344988299 /nfs/dbraw/zinc/98/82/99/344988299.db2.gz UPXDGXITERZGLU-LLVKDONJSA-N 1 0 220.272 1.559 10 0 BDAERO [NH3+][C@@H](CCO)c1sccc1Br ZINC000044233146 344988578 /nfs/dbraw/zinc/98/85/78/344988578.db2.gz CUMWMSBCEWSCFP-LURJTMIESA-N 1 0 236.134 1.893 10 0 BDAERO CCOc1cc([C@H]([NH3+])CCO)ccc1OC ZINC000044233799 344989138 /nfs/dbraw/zinc/98/91/38/344989138.db2.gz OJRXGWPSOSXIDE-SNVBAGLBSA-N 1 0 225.288 1.476 10 0 BDAERO C[C@@H](c1cnccn1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000247965559 344993335 /nfs/dbraw/zinc/99/33/35/344993335.db2.gz HOVQNNDWSVBKSG-RYUDHWBXSA-N 1 0 234.347 1.469 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000044250925 344994985 /nfs/dbraw/zinc/99/49/85/344994985.db2.gz DINRTDNBKJMUAW-MRVPVSSYSA-N 1 0 216.643 1.354 10 0 BDAERO C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000123374612 344997877 /nfs/dbraw/zinc/99/78/77/344997877.db2.gz QOXXCIWRJNFVQN-QWRGUYRKSA-N 1 0 242.388 1.340 10 0 BDAERO Cc1ccc(OCC(=O)N(C)C)c([C@H](C)[NH3+])c1 ZINC000035629453 178809280 /nfs/dbraw/zinc/80/92/80/178809280.db2.gz ZLPVJTBVZNRAFK-JTQLQIEISA-N 1 0 236.315 1.482 10 0 BDAERO COC[C@@H]([NH3+])c1cc(F)cc(F)c1F ZINC000238377016 345033909 /nfs/dbraw/zinc/03/39/09/345033909.db2.gz POLVAQYDPBLUSS-MRVPVSSYSA-N 1 0 205.179 1.750 10 0 BDAERO C[C@H](c1ccccn1)N1CC[NH2+]C[C@H]1C ZINC000248088279 345036197 /nfs/dbraw/zinc/03/61/97/345036197.db2.gz UHJFONMPGYNIRF-GHMZBOCLSA-N 1 0 205.305 1.436 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1O[C@H]1CCSC1 ZINC000405452815 345036441 /nfs/dbraw/zinc/03/64/41/345036441.db2.gz YBFXLHOZVWZCSG-IVZWLZJFSA-N 1 0 201.335 1.778 10 0 BDAERO COc1cnc(C[NH3+])cc1OC(F)(F)F ZINC000238405728 345042125 /nfs/dbraw/zinc/04/21/25/345042125.db2.gz YPNTTZISIONPGU-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO CCC1CCC([NH3+])(c2nncn2C)CC1 ZINC000054497349 168518818 /nfs/dbraw/zinc/51/88/18/168518818.db2.gz XVLPUQKHXDUXMQ-UHFFFAOYSA-N 1 0 208.309 1.569 10 0 BDAERO CC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC[C@H]1O ZINC000248248262 345088854 /nfs/dbraw/zinc/08/88/54/345088854.db2.gz KRFQBCLKCBRFQB-HUUCEWRRSA-N 1 0 248.370 1.479 10 0 BDAERO NC(=O)c1ccccc1[C@H]1CCCC[NH2+]1 ZINC000238629141 345095154 /nfs/dbraw/zinc/09/51/54/345095154.db2.gz RJLKVLCKHOZOJM-LLVKDONJSA-N 1 0 204.273 1.600 10 0 BDAERO Cc1csc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000044532080 345109204 /nfs/dbraw/zinc/10/92/04/345109204.db2.gz QJDABGOTXQATRX-SECBINFHSA-N 1 0 211.334 1.627 10 0 BDAERO Cn1cc([C@H]2CCCN2CC23CC(C2)C[NH2+]3)cn1 ZINC000634992167 345179767 /nfs/dbraw/zinc/17/97/67/345179767.db2.gz GKAPOVQXVPXNQV-HRDQMINSSA-N 1 0 246.358 1.309 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634950415 345127270 /nfs/dbraw/zinc/12/72/70/345127270.db2.gz RCPOEIHPAFKDGW-MNOVXSKESA-N 1 0 233.377 1.588 10 0 BDAERO CO[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)C(C)C ZINC000381284591 345241544 /nfs/dbraw/zinc/24/15/44/345241544.db2.gz MDERCCKCHGNGGI-VXGBXAGGSA-N 1 0 242.363 1.163 10 0 BDAERO CCN[C@]1(C(F)F)CC[N@@H+]2CCC[C@H]21 ZINC000228033333 345294574 /nfs/dbraw/zinc/29/45/74/345294574.db2.gz GFABKLSSFVSSHY-WCBMZHEXSA-N 1 0 204.264 1.468 10 0 BDAERO C[C@H]1CC(C2=C[C@@H](N)C[NH2+]C2)C[C@H](C)C1 ZINC000675077239 537893879 /nfs/dbraw/zinc/89/38/79/537893879.db2.gz BIKUCAGSYDWBIH-GIPNMCIBSA-N 1 0 208.349 1.916 10 0 BDAERO CC(C)COCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158950862 345390930 /nfs/dbraw/zinc/39/09/30/345390930.db2.gz ZZICGHZSSNZNLM-CYBMUJFWSA-N 1 0 226.364 1.439 10 0 BDAERO CCC(CC)CNC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000158909119 345389707 /nfs/dbraw/zinc/38/97/07/345389707.db2.gz ZLDSMRJHHIKWIU-CYBMUJFWSA-N 1 0 226.364 1.929 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@]1(C)C1CCCC1 ZINC000229213051 345453311 /nfs/dbraw/zinc/45/33/11/345453311.db2.gz DMJBSBZZINKPGI-JQWIXIFHSA-N 1 0 211.305 1.575 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC000134803139 345421906 /nfs/dbraw/zinc/42/19/06/345421906.db2.gz HAKMXWYGWDELAQ-RYUDHWBXSA-N 1 0 240.347 1.108 10 0 BDAERO C[C@H](CC1CC1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159580616 345442663 /nfs/dbraw/zinc/44/26/63/345442663.db2.gz LIWSAAZTSMLOGT-ZWNOBZJWSA-N 1 0 224.348 1.823 10 0 BDAERO COCCCN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159575657 345443947 /nfs/dbraw/zinc/44/39/47/345443947.db2.gz WZUYETPVQAWAKW-LBPRGKRZSA-N 1 0 228.336 1.014 10 0 BDAERO C[C@H]1SCC[NH2+][C@@H]1c1ccc(F)cn1 ZINC000158815388 345506642 /nfs/dbraw/zinc/50/66/42/345506642.db2.gz LEQVQLXAADVMRK-XCBNKYQSSA-N 1 0 212.293 1.987 10 0 BDAERO Cc1cc(NC(=O)[C@]2(C)CCCC[NH2+]2)ccn1 ZINC000136194959 345486101 /nfs/dbraw/zinc/48/61/01/345486101.db2.gz RZDGPAIFHMVEBL-ZDUSSCGKSA-N 1 0 233.315 1.861 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]([NH3+])CC(C)C)cc1O ZINC000054929483 345566002 /nfs/dbraw/zinc/56/60/02/345566002.db2.gz DISDJOSYXLKKEY-GXFFZTMASA-N 1 0 239.315 1.808 10 0 BDAERO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc[nH]c2)C1 ZINC000092188883 345605511 /nfs/dbraw/zinc/60/55/11/345605511.db2.gz UALKALZONOLNLJ-GFCCVEGCSA-N 1 0 248.330 1.004 10 0 BDAERO CCCC(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000019843782 168532861 /nfs/dbraw/zinc/53/28/61/168532861.db2.gz NOAJZNUSVJSCKV-NSHDSACASA-N 1 0 212.337 1.777 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)OC(C)C)C1 ZINC000231506004 345752863 /nfs/dbraw/zinc/75/28/63/345752863.db2.gz LEKRUSSEKSTUAH-VIFPVBQESA-N 1 0 200.282 1.215 10 0 BDAERO C[C@@H](C[NH3+])Nc1ccnc(C(F)(F)F)c1 ZINC000212242760 345726731 /nfs/dbraw/zinc/72/67/31/345726731.db2.gz OBYNOXYAQKXPIE-LURJTMIESA-N 1 0 219.210 1.860 10 0 BDAERO CC(C)c1nccc(NC[C@H]2CC[NH2+]C2)n1 ZINC000212411083 345733239 /nfs/dbraw/zinc/73/32/39/345733239.db2.gz NKWNTIRPOMUEAH-JTQLQIEISA-N 1 0 220.320 1.621 10 0 BDAERO Oc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000165162152 345738635 /nfs/dbraw/zinc/73/86/35/345738635.db2.gz YCIVAWHIAKUWTH-ZIAGYGMSSA-N 1 0 235.327 1.828 10 0 BDAERO C[C@@]([NH3+])(CO)Cc1c[nH]c2ccccc12 ZINC000140227304 345807181 /nfs/dbraw/zinc/80/71/81/345807181.db2.gz BEFMZAMTVZHJGX-LBPRGKRZSA-N 1 0 204.273 1.420 10 0 BDAERO Cc1cc(N2CCCCC2)nc(C[NH3+])n1 ZINC000257683367 345780946 /nfs/dbraw/zinc/78/09/46/345780946.db2.gz HLRUWNKASYTCPP-UHFFFAOYSA-N 1 0 206.293 1.234 10 0 BDAERO CC[C@H]([NH3+])CNc1ccc(C(F)(F)F)nn1 ZINC000160021623 345785779 /nfs/dbraw/zinc/78/57/79/345785779.db2.gz CZRFWQSBAGOSSU-LURJTMIESA-N 1 0 234.225 1.645 10 0 BDAERO [NH3+]CCc1nc(C2CCSCC2)no1 ZINC000258845340 345785841 /nfs/dbraw/zinc/78/58/41/345785841.db2.gz KHWYVZKHZKNAPO-UHFFFAOYSA-N 1 0 213.306 1.181 10 0 BDAERO C[NH2+][C@H]1CCN(C(N)=O)c2ccccc21 ZINC000070601226 345789678 /nfs/dbraw/zinc/78/96/78/345789678.db2.gz YYJDXCWBSSRRLH-VIFPVBQESA-N 1 0 205.261 1.236 10 0 BDAERO COc1cccc2c1C[C@H]1[NH2+]CCO[C@@H]1C2 ZINC000034475840 345835121 /nfs/dbraw/zinc/83/51/21/345835121.db2.gz CEILQBOYXMJPAS-DGCLKSJQSA-N 1 0 219.284 1.151 10 0 BDAERO CC[C@@H](C[NH3+])CC(=O)NOCc1ccccc1 ZINC000158919807 345875814 /nfs/dbraw/zinc/87/58/14/345875814.db2.gz RJOIQEZTGFHZIE-LLVKDONJSA-N 1 0 236.315 1.609 10 0 BDAERO [NH3+]C1CN(CCCOc2ccccc2)C1 ZINC000082595499 345910488 /nfs/dbraw/zinc/91/04/88/345910488.db2.gz YTCOSMQDFOWPBU-UHFFFAOYSA-N 1 0 206.289 1.098 10 0 BDAERO [NH3+]C1CN(C(=O)c2cc3ccccc3s2)C1 ZINC000083634983 345919285 /nfs/dbraw/zinc/91/92/85/345919285.db2.gz ZFLUWVUGYCMDSV-UHFFFAOYSA-N 1 0 232.308 1.684 10 0 BDAERO C1C[C@@H](c2nc(C3CCOCC3)no2)C[NH2+]1 ZINC000083719057 345920318 /nfs/dbraw/zinc/92/03/18/345920318.db2.gz ACLHRCJIXXNRBF-SECBINFHSA-N 1 0 223.276 1.041 10 0 BDAERO Nc1cc(NCC(F)(F)F)nc(C2CC2)[nH+]1 ZINC000087909000 345939864 /nfs/dbraw/zinc/93/98/64/345939864.db2.gz JIPDIEDGIHVVIB-UHFFFAOYSA-N 1 0 232.209 1.910 10 0 BDAERO O=C1OCC[C@H]2C[N@@H+](CCCCl)C[C@@H]12 ZINC000146319645 345966164 /nfs/dbraw/zinc/96/61/64/345966164.db2.gz YJUBTURIGYLJCK-DTWKUNHWSA-N 1 0 217.696 1.110 10 0 BDAERO Cc1nc(NCc2ccncc2)cc(N)[nH+]1 ZINC000087808422 345942107 /nfs/dbraw/zinc/94/21/07/345942107.db2.gz HXPHYQAMXDNSBR-UHFFFAOYSA-N 1 0 215.260 1.374 10 0 BDAERO Cc1cc(NC2C[NH2+]C2)cnc1Br ZINC000235857169 345949638 /nfs/dbraw/zinc/94/96/38/345949638.db2.gz PXSLGWBXAGFDSO-UHFFFAOYSA-N 1 0 242.120 1.536 10 0 BDAERO CC[C@H]1COCCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647317 345991141 /nfs/dbraw/zinc/99/11/41/345991141.db2.gz DKZDIQKCYQMGEL-GRYCIOLGSA-N 1 0 240.347 1.012 10 0 BDAERO Cn1cc(C(=O)OC(C)(C)C)cc1C[NH3+] ZINC000118892097 537930217 /nfs/dbraw/zinc/93/02/17/537930217.db2.gz DPEIDKDZDRANHL-UHFFFAOYSA-N 1 0 210.277 1.439 10 0 BDAERO Cc1cc(N)nn1CC[NH+]1CCCCC1 ZINC000723466119 537934668 /nfs/dbraw/zinc/93/46/68/537934668.db2.gz IFZWYBCLKGLKIB-UHFFFAOYSA-N 1 0 208.309 1.260 10 0 BDAERO [NH3+]Cc1ccc(F)c(Br)n1 ZINC000095631139 346079976 /nfs/dbraw/zinc/07/99/76/346079976.db2.gz ZEZSDJWATPIKGX-UHFFFAOYSA-N 1 0 205.030 1.442 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C)C1 ZINC000082818578 537940177 /nfs/dbraw/zinc/94/01/77/537940177.db2.gz HKZAMYIVMRLKLQ-VHSXEESVSA-N 1 0 219.350 1.342 10 0 BDAERO c1coc(C[NH2+][C@H]2CCc3nccn3C2)c1 ZINC000390510277 346083589 /nfs/dbraw/zinc/08/35/89/346083589.db2.gz ZENIBGLIBWLMOW-JTQLQIEISA-N 1 0 217.272 1.581 10 0 BDAERO CC[NH+]1CCC(C[C@H]2CO2)(C(=O)OC)CC1 ZINC000669371909 537948439 /nfs/dbraw/zinc/94/84/39/537948439.db2.gz FDPTWOUUEDFLMM-JTQLQIEISA-N 1 0 227.304 1.050 10 0 BDAERO Cc1ncsc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000084149279 537952004 /nfs/dbraw/zinc/95/20/04/537952004.db2.gz OTBWZYMWRPEIIR-VHSXEESVSA-N 1 0 226.345 1.845 10 0 BDAERO Cc1cccc(-n2nnnc2[C@H](C)[NH3+])c1C ZINC000062493943 179001766 /nfs/dbraw/zinc/00/17/66/179001766.db2.gz FLEQCSCKQNMJQH-VIFPVBQESA-N 1 0 217.276 1.299 10 0 BDAERO Cc1cccc(-n2nnnc2[C@@H](C)[NH3+])c1C ZINC000062493941 179002083 /nfs/dbraw/zinc/00/20/83/179002083.db2.gz FLEQCSCKQNMJQH-SECBINFHSA-N 1 0 217.276 1.299 10 0 BDAERO C[N@H+](CC1(O)CCCC1)[C@H]1CCCC1=O ZINC000167181866 346208436 /nfs/dbraw/zinc/20/84/36/346208436.db2.gz TYPXAPGSFFAQRR-JTQLQIEISA-N 1 0 211.305 1.345 10 0 BDAERO Cn1nnc(Br)c1[C@H]([NH3+])C1(C)CC1 ZINC000236129317 346193895 /nfs/dbraw/zinc/19/38/95/346193895.db2.gz IMPRFTYDDQCKQV-LURJTMIESA-N 1 0 245.124 1.378 10 0 BDAERO Cc1cccc(=O)n1CC[NH2+]C1CCCC1 ZINC000053534405 179003550 /nfs/dbraw/zinc/00/35/50/179003550.db2.gz ZSFFUKNGGMDXPC-UHFFFAOYSA-N 1 0 220.316 1.689 10 0 BDAERO C[C@H](COCc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000307331283 229561206 /nfs/dbraw/zinc/56/12/06/229561206.db2.gz OUQTXTGZWHSVPA-OCCSQVGLSA-N 1 0 234.343 1.543 10 0 BDAERO CCN1C(=O)C[C@@H]([NH3+])[C@@H]1c1cccs1 ZINC000062209166 346218198 /nfs/dbraw/zinc/21/81/98/346218198.db2.gz LWVRQHJQIGJHII-GMSGAONNSA-N 1 0 210.302 1.369 10 0 BDAERO C=CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000034347731 346249806 /nfs/dbraw/zinc/24/98/06/346249806.db2.gz REKHXRWEQQXQLZ-UHFFFAOYSA-N 1 0 210.321 1.598 10 0 BDAERO CC(C)(C)CC[C@]1([NH3+])CCS(=O)(=O)C1 ZINC000167468228 346251418 /nfs/dbraw/zinc/25/14/18/346251418.db2.gz ZXWIVVHYGFMXGM-JTQLQIEISA-N 1 0 219.350 1.329 10 0 BDAERO Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038048937 179024865 /nfs/dbraw/zinc/02/48/65/179024865.db2.gz CQWLXNZRHAXDKH-STQMWFEESA-N 1 0 232.327 1.995 10 0 BDAERO CC[C@@H](C)n1ncc2c1nc[nH+]c2NN ZINC000669377350 537964163 /nfs/dbraw/zinc/96/41/63/537964163.db2.gz NAMZBPXFYIQJIX-ZCFIWIBFSA-N 1 0 206.253 1.083 10 0 BDAERO CC1(C)C[C@H](O)CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000395311008 537965233 /nfs/dbraw/zinc/96/52/33/537965233.db2.gz GXDFYPZWKHGNCY-IJLUTSLNSA-N 1 0 227.348 1.383 10 0 BDAERO CC(C)(C[NH3+])[C@H](O)c1scnc1Cl ZINC000669377667 537967261 /nfs/dbraw/zinc/96/72/61/537967261.db2.gz WECUVQCCMSJEJB-ZCFIWIBFSA-N 1 0 220.725 1.815 10 0 BDAERO CCOC(=O)Cc1c(C)cc(C[NH3+])cc1C ZINC000669378609 537967974 /nfs/dbraw/zinc/96/79/74/537967974.db2.gz JBTOJSVBDNELPJ-UHFFFAOYSA-N 1 0 221.300 1.868 10 0 BDAERO C[C@@]([NH3+])(CCNC(=O)CC1CC1)C(F)F ZINC000669378707 537970191 /nfs/dbraw/zinc/97/01/91/537970191.db2.gz NLQQGSJQYBRVLB-SNVBAGLBSA-N 1 0 220.263 1.275 10 0 BDAERO CC(C)OCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161589118 346338911 /nfs/dbraw/zinc/33/89/11/346338911.db2.gz LUIHKKUNTAYREO-LLVKDONJSA-N 1 0 201.310 1.116 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cnn1C ZINC000381569436 346370425 /nfs/dbraw/zinc/37/04/25/346370425.db2.gz WKKJYKZFOCFGFJ-AAEUAGOBSA-N 1 0 219.332 1.864 10 0 BDAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC000641784545 362722496 /nfs/dbraw/zinc/72/24/96/362722496.db2.gz ZTTNBRUBTNTUBV-GMTAPVOTSA-N 1 0 210.321 1.433 10 0 BDAERO CC1(C)C[NH2+]C[C@@H]1NC(=O)NC1CCCC1 ZINC000669379285 537978326 /nfs/dbraw/zinc/97/83/26/537978326.db2.gz ZRFRTRAUCZICLI-JTQLQIEISA-N 1 0 225.336 1.226 10 0 BDAERO C[C@@H](C(=O)NC12CC([NH3+])(C1)C2)C(C)(C)C ZINC000725241174 537977930 /nfs/dbraw/zinc/97/79/30/537977930.db2.gz ASKUGPDKSFAFSK-RKWZHAFESA-N 1 0 210.321 1.419 10 0 BDAERO Cc1cccc(C[N@H+]2CCC[C@H](O)[C@@H]2C)n1 ZINC000335598072 179076263 /nfs/dbraw/zinc/07/62/63/179076263.db2.gz SOEXZRWNYBUNRK-AAEUAGOBSA-N 1 0 220.316 1.735 10 0 BDAERO Cc1cccc(CNC2=[NH+]CCS2)n1 ZINC000051577189 179088268 /nfs/dbraw/zinc/08/82/68/179088268.db2.gz YRRVBSFVIUDVMV-UHFFFAOYSA-N 1 0 207.302 1.582 10 0 BDAERO CC(C)n1nc(C2CC2)c2c1C[NH2+]CC2 ZINC000215849549 537978956 /nfs/dbraw/zinc/97/89/56/537978956.db2.gz AADBVFBIBUJJRG-UHFFFAOYSA-N 1 0 205.305 1.987 10 0 BDAERO C[C@H]1C[NH+]=C(NN2CCCCC2)SC1 ZINC000148812620 346454274 /nfs/dbraw/zinc/45/42/74/346454274.db2.gz JBTHXVQTIHLFTE-VIFPVBQESA-N 1 0 213.350 1.716 10 0 BDAERO CC(C)NC(=[NH2+])N1CCS[C@H](C)[C@@H]1C ZINC000222019346 349965790 /nfs/dbraw/zinc/96/57/90/349965790.db2.gz BRGDRWFMMGBESF-DTWKUNHWSA-N 1 0 215.366 1.745 10 0 BDAERO Cc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)no1 ZINC000170874813 346467907 /nfs/dbraw/zinc/46/79/07/346467907.db2.gz PKMSZNGLKMCCEQ-VIFPVBQESA-N 1 0 238.291 1.151 10 0 BDAERO C[C@H]1CN(Cc2ccnc(F)c2)CC[NH2+]1 ZINC000725241972 537981336 /nfs/dbraw/zinc/98/13/36/537981336.db2.gz YDZFDLGNDNAOQB-VIFPVBQESA-N 1 0 209.268 1.014 10 0 BDAERO [NH3+][C@@H]1CCN(c2sccc2Cl)C1 ZINC000229947187 346483785 /nfs/dbraw/zinc/48/37/85/346483785.db2.gz UXXNDEPLWUETAJ-ZCFIWIBFSA-N 1 0 202.710 1.939 10 0 BDAERO O=C(CC1CC1)N1CCC[NH2+]C2(CC2)C1 ZINC000725241611 537982063 /nfs/dbraw/zinc/98/20/63/537982063.db2.gz JHKKHHNDGBDLHY-UHFFFAOYSA-N 1 0 208.305 1.141 10 0 BDAERO C[NH+](C)[C@@H]1CCN(CCC(=O)OC(C)(C)C)C1 ZINC000161538478 346491756 /nfs/dbraw/zinc/49/17/56/346491756.db2.gz MISXQXJYWSCNJZ-LLVKDONJSA-N 1 0 242.363 1.354 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H](COCc2ccccc2)O1 ZINC000069906800 349968008 /nfs/dbraw/zinc/96/80/08/349968008.db2.gz BPKMYZYXINIHQK-AAEUAGOBSA-N 1 0 221.300 1.580 10 0 BDAERO CC[C@H](N[C@H]1C[C@H]2CCCC[N@@H+]2C1)C(=O)OC ZINC000725241932 537981644 /nfs/dbraw/zinc/98/16/44/537981644.db2.gz WVWWOUUQCJSMFE-TUAOUCFPSA-N 1 0 240.347 1.154 10 0 BDAERO CC[N@H+](C)[C@]1(CN)C[C@@H](C)O[C@@H](C)C1 ZINC000249919572 346499627 /nfs/dbraw/zinc/49/96/27/346499627.db2.gz KRQMBMOMVADQNM-JGPRNRPPSA-N 1 0 200.326 1.223 10 0 BDAERO CC(C)CC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669379859 537982763 /nfs/dbraw/zinc/98/27/63/537982763.db2.gz HQHUIYXRPNNKTC-JTQLQIEISA-N 1 0 222.279 1.521 10 0 BDAERO CSC1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000300814038 346549028 /nfs/dbraw/zinc/54/90/28/346549028.db2.gz HPVDCESHJKAAGW-ZJUUUORDSA-N 1 0 242.388 1.468 10 0 BDAERO [NH2+]=C1N[C@@H](c2ccc(Cl)cc2F)CO1 ZINC000163792182 346577159 /nfs/dbraw/zinc/57/71/59/346577159.db2.gz IJHACDXRWIFLHP-MRVPVSSYSA-N 1 0 214.627 1.865 10 0 BDAERO [NH3+][C@H](Cc1ccncc1)c1cnsn1 ZINC000163843188 346579309 /nfs/dbraw/zinc/57/93/09/346579309.db2.gz HVCXOGNQOFWTFD-MRVPVSSYSA-N 1 0 206.274 1.176 10 0 BDAERO C[C@@H]([NH3+])C[C@@H](O)c1ccc(F)cc1F ZINC000164167604 346594020 /nfs/dbraw/zinc/59/40/20/346594020.db2.gz MBUXOMSGPPYECY-LHLIQPBNSA-N 1 0 201.216 1.736 10 0 BDAERO C[C@H]([NH3+])C[C@@H](O)c1ccc(F)cc1F ZINC000164167498 346594229 /nfs/dbraw/zinc/59/42/29/346594229.db2.gz MBUXOMSGPPYECY-QUBYGPBYSA-N 1 0 201.216 1.736 10 0 BDAERO [NH3+]Cc1cccc(Cl)c1-n1cncn1 ZINC000164292897 346598707 /nfs/dbraw/zinc/59/87/07/346598707.db2.gz BZRGWHYPBNBKGX-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187332657 346568485 /nfs/dbraw/zinc/56/84/85/346568485.db2.gz UWWVKMGBNIGHOC-RYUDHWBXSA-N 1 0 237.347 1.492 10 0 BDAERO Clc1csc(O[C@H]2CC[NH2+]C2)n1 ZINC000165379377 346650208 /nfs/dbraw/zinc/65/02/08/346650208.db2.gz CEWNHXQVTSPYMW-YFKPBYRVSA-N 1 0 204.682 1.537 10 0 BDAERO COc1ccc(Br)nc1C[NH3+] ZINC000585681290 346653733 /nfs/dbraw/zinc/65/37/33/346653733.db2.gz QERAMVBOIFXEJT-UHFFFAOYSA-N 1 0 217.066 1.311 10 0 BDAERO CCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000601207930 346674676 /nfs/dbraw/zinc/67/46/76/346674676.db2.gz TVTOXIZZBHPYMK-VXGBXAGGSA-N 1 0 239.363 1.665 10 0 BDAERO CN[C@@H](C[NH3+])c1ccc(C)c(Br)c1 ZINC000164868979 346630399 /nfs/dbraw/zinc/63/03/99/346630399.db2.gz DBXBFDJEIRMZHO-JTQLQIEISA-N 1 0 243.148 1.977 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589644394 346724743 /nfs/dbraw/zinc/72/47/43/346724743.db2.gz JKWSLPPHQMOUAD-QWRGUYRKSA-N 1 0 245.326 1.956 10 0 BDAERO CC[C@@]1(C(C)C)[NH2+]CCc2ncn(C)c21 ZINC000725242744 537985406 /nfs/dbraw/zinc/98/54/06/537985406.db2.gz OUKXZQKHCNZVPZ-LBPRGKRZSA-N 1 0 207.321 1.827 10 0 BDAERO CCCC(=O)N[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669380022 537985428 /nfs/dbraw/zinc/98/54/28/537985428.db2.gz FUCDXSZNSCMABP-YFKPBYRVSA-N 1 0 248.195 1.428 10 0 BDAERO Cc1cccc(NC[C@H]2CCC[C@H]2O)[nH+]1 ZINC000084233722 179149269 /nfs/dbraw/zinc/14/92/69/179149269.db2.gz ZXRZKODHWPYZOS-GHMZBOCLSA-N 1 0 206.289 1.963 10 0 BDAERO Cc1cccc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000335656008 179154576 /nfs/dbraw/zinc/15/45/76/179154576.db2.gz HERPVCVMWQWZPU-MWLCHTKSSA-N 1 0 205.305 1.800 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2CC(O)C2)[C@@H]2CCCO[C@H]21 ZINC000228098879 346790608 /nfs/dbraw/zinc/79/06/08/346790608.db2.gz GSQTYEKJNDZADP-FQLQODGNSA-N 1 0 239.359 1.551 10 0 BDAERO Cc1cccc(OCC[C@@](C)(O)C[NH3+])c1 ZINC000019668172 179169912 /nfs/dbraw/zinc/16/99/12/179169912.db2.gz CPFTYUBRLSKFOZ-GFCCVEGCSA-N 1 0 209.289 1.474 10 0 BDAERO [NH3+]C1CCC([S@](=O)C2CCCC2)CC1 ZINC000062830110 347139122 /nfs/dbraw/zinc/13/91/22/347139122.db2.gz MZCXJELBHHCEFR-IUVQJJGASA-N 1 0 215.362 1.948 10 0 BDAERO C[NH2+][C@H](CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000038525603 347164728 /nfs/dbraw/zinc/16/47/28/347164728.db2.gz KYUONRYHQWDVRC-CYBMUJFWSA-N 1 0 249.314 1.951 10 0 BDAERO Cc1cccc(O[C@H]2COCC[C@@H]2[NH3+])c1 ZINC000036305796 179175852 /nfs/dbraw/zinc/17/58/52/179175852.db2.gz FTTFWXDHIOOEAG-RYUDHWBXSA-N 1 0 207.273 1.490 10 0 BDAERO Cc1cccc([C@@H]([NH2+]C2CC2)C(N)=O)c1C ZINC000043315330 179186981 /nfs/dbraw/zinc/18/69/81/179186981.db2.gz MDRFWUKMMGWLKE-GFCCVEGCSA-N 1 0 218.300 1.582 10 0 BDAERO Cc1cccc([C@@H]([C@H](C)[NH3+])N2CCOCC2)c1 ZINC000042965350 179188870 /nfs/dbraw/zinc/18/88/70/179188870.db2.gz QICASLPORIUNCC-GXTWGEPZSA-N 1 0 234.343 1.716 10 0 BDAERO CC[S@](=O)[C@@H]1CCC(C)(C)[C@H]1[NH2+]C ZINC000250241093 362797079 /nfs/dbraw/zinc/79/70/79/362797079.db2.gz LILQOJRJJZQMJH-ZDMBXUJBSA-N 1 0 203.351 1.532 10 0 BDAERO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000160248045 179195937 /nfs/dbraw/zinc/19/59/37/179195937.db2.gz SQRRVFCZDYKUOU-DZGCQCFKSA-N 1 0 248.370 1.976 10 0 BDAERO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCOCC2)c1 ZINC000042965352 179204089 /nfs/dbraw/zinc/20/40/89/179204089.db2.gz QICASLPORIUNCC-JSGCOSHPSA-N 1 0 234.343 1.716 10 0 BDAERO CC(C)C[N@H+](C)[C@@H]1CC2(CC[C@H]1O)OCCO2 ZINC000250603307 362812689 /nfs/dbraw/zinc/81/26/89/362812689.db2.gz UEYKDGAQOGWXQR-VXGBXAGGSA-N 1 0 243.347 1.231 10 0 BDAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCOCC2)c1 ZINC000042965349 179204166 /nfs/dbraw/zinc/20/41/66/179204166.db2.gz QICASLPORIUNCC-OCCSQVGLSA-N 1 0 234.343 1.716 10 0 BDAERO C[NH+](C)[C@@H]1CCCN([C@H]2CCCC2=O)C1 ZINC000250354710 362800921 /nfs/dbraw/zinc/80/09/21/362800921.db2.gz MMFYAQQGFMDSIK-MNOVXSKESA-N 1 0 210.321 1.134 10 0 BDAERO O=C1CCC[C@@]2(C1)[NH2+]CCc1ccoc12 ZINC000725242855 537988661 /nfs/dbraw/zinc/98/86/61/537988661.db2.gz AARNJARGPUEEMN-LBPRGKRZSA-N 1 0 205.257 1.764 10 0 BDAERO COC[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000165441315 133658166 /nfs/dbraw/zinc/65/81/66/133658166.db2.gz HQEUTENZITXBIR-SRVKXCTJSA-N 1 0 215.337 1.672 10 0 BDAERO C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCSC2)C1 ZINC000250715504 362818294 /nfs/dbraw/zinc/81/82/94/362818294.db2.gz GZRAJPODPKZBQG-MNOVXSKESA-N 1 0 214.378 1.423 10 0 BDAERO C[C@@H](c1ncc2ccccc2n1)N1CC[NH2+]CC1 ZINC000116408698 347356607 /nfs/dbraw/zinc/35/66/07/347356607.db2.gz FYJLDGDLBNIPRP-NSHDSACASA-N 1 0 242.326 1.596 10 0 BDAERO N#Cc1ccc2c(c1)CC[C@H](N1CC[NH2+]CC1)C2 ZINC000144740975 347386792 /nfs/dbraw/zinc/38/67/92/347386792.db2.gz RJOUZCZUQPOORI-HNNXBMFYSA-N 1 0 241.338 1.321 10 0 BDAERO O=C1CCCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000251078971 362837413 /nfs/dbraw/zinc/83/74/13/362837413.db2.gz GRMGYECUDBZPSO-MNOVXSKESA-N 1 0 211.305 1.202 10 0 BDAERO Cn1cccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194503223 347422647 /nfs/dbraw/zinc/42/26/47/347422647.db2.gz CTOVFMHFUVQWOO-UHFFFAOYSA-N 1 0 247.342 1.335 10 0 BDAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)C(N)=S ZINC000036677605 347435548 /nfs/dbraw/zinc/43/55/48/347435548.db2.gz COEKPUAQOCNJSE-DTWKUNHWSA-N 1 0 200.351 1.641 10 0 BDAERO Cn1cnc2c1[C@@](C)(C1CCC1)[NH2+]CC2 ZINC000725242840 537989639 /nfs/dbraw/zinc/98/96/39/537989639.db2.gz YBCTZMYHXRVVSV-GFCCVEGCSA-N 1 0 205.305 1.581 10 0 BDAERO CC[C@@H]1CCN(C(=O)C=C(C)C)C[C@@H]1[NH3+] ZINC000616568438 347448675 /nfs/dbraw/zinc/44/86/75/347448675.db2.gz BNCIONJJPAXDEQ-MNOVXSKESA-N 1 0 210.321 1.538 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCOC(F)(F)F ZINC000396945096 362842593 /nfs/dbraw/zinc/84/25/93/362842593.db2.gz IPWZZFRMFDZTFK-RNFRBKRXSA-N 1 0 242.241 1.012 10 0 BDAERO CC[C@@H](C(N)=[NH2+])N1CCSC[C@H]1C ZINC000251197249 362844637 /nfs/dbraw/zinc/84/46/37/362844637.db2.gz FGWBPIZKBJROKJ-SFYZADRCSA-N 1 0 201.339 1.138 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCCC1 ZINC000616569063 347521798 /nfs/dbraw/zinc/52/17/98/347521798.db2.gz FZACUGNNOVIJKZ-PWSUYJOCSA-N 1 0 224.348 1.681 10 0 BDAERO Cc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038048897 179252671 /nfs/dbraw/zinc/25/26/71/179252671.db2.gz MDELMYDAVJYMAO-STQMWFEESA-N 1 0 232.327 1.995 10 0 BDAERO COC[C@@H](C)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000390644875 259396454 /nfs/dbraw/zinc/39/64/54/259396454.db2.gz NPRYWDVCUYKZQQ-VHSXEESVSA-N 1 0 223.320 1.139 10 0 BDAERO COC[C@H](C)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000390644860 259396460 /nfs/dbraw/zinc/39/64/60/259396460.db2.gz NPRYWDVCUYKZQQ-NXEZZACHSA-N 1 0 223.320 1.139 10 0 BDAERO C[C@@H]1CC[C@H]([C@@H]2[NH2+]C(C)(C)CS2)O1 ZINC000149981678 347578791 /nfs/dbraw/zinc/57/87/91/347578791.db2.gz HEGICZLQKJPMMY-IWSPIJDZSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@H]1CC[C@@H]([C@@H]2[NH2+][C@H](C)CCS2)O1 ZINC000149979140 347580791 /nfs/dbraw/zinc/58/07/91/347580791.db2.gz UEOBAWXJTWGIMP-XFWSIPNHSA-N 1 0 201.335 1.995 10 0 BDAERO Cc1ccccc1CCC(=O)N[C@@H]1C[C@@H]1[NH3+] ZINC000051986032 179261995 /nfs/dbraw/zinc/26/19/95/179261995.db2.gz BKFVCVVSCPXHQO-NWDGAFQWSA-N 1 0 218.300 1.143 10 0 BDAERO Cc1ccccc1CCc1nnc(CC[NH3+])o1 ZINC000011585808 179267730 /nfs/dbraw/zinc/26/77/30/179267730.db2.gz ZXQROFGGKOAQIX-UHFFFAOYSA-N 1 0 231.299 1.664 10 0 BDAERO Cc1ccccc1CN1CC[C@H]([NH3+])C1=O ZINC000049648851 179277377 /nfs/dbraw/zinc/27/73/77/179277377.db2.gz POELNELUODEVGI-NSHDSACASA-N 1 0 204.273 1.055 10 0 BDAERO Oc1cc(C(F)F)cc2nc(C3C[NH2+]C3)nn21 ZINC000725243329 537992044 /nfs/dbraw/zinc/99/20/44/537992044.db2.gz XOQPWIHKQWNWHN-UHFFFAOYSA-N 1 0 240.213 1.059 10 0 BDAERO CCCCNC(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669380940 537992628 /nfs/dbraw/zinc/99/26/28/537992628.db2.gz TYXOEOKEBOFZJB-SNVBAGLBSA-N 1 0 237.294 1.458 10 0 BDAERO Cc1ccccc1N(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000049989086 179294891 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/nfs/dbraw/zinc/02/19/92/350021992.db2.gz VOKFGEMGQGKNSS-UHFFFAOYSA-N 1 0 224.308 1.049 10 0 BDAERO COc1ccc2snc(C[NH3+])c2c1OC ZINC000725254231 538043713 /nfs/dbraw/zinc/04/37/13/538043713.db2.gz XDDRFEGKRVATJT-UHFFFAOYSA-N 1 0 224.285 1.772 10 0 BDAERO C1COC2(CCC(C3CC[NH2+]CC3)CC2)O1 ZINC000217877827 350076023 /nfs/dbraw/zinc/07/60/23/350076023.db2.gz SXAGJEZBUDGJTR-UHFFFAOYSA-N 1 0 225.332 1.919 10 0 BDAERO [NH3+]C[C@@H]1COc2c(ccc3ccccc32)O1 ZINC000144247032 350041472 /nfs/dbraw/zinc/04/14/72/350041472.db2.gz PIMFDPOFTJGGFG-SNVBAGLBSA-N 1 0 215.252 1.938 10 0 BDAERO CCCC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000390590191 538049564 /nfs/dbraw/zinc/04/95/64/538049564.db2.gz ZDSXUIOZILTDNU-WDEREUQCSA-N 1 0 248.392 1.046 10 0 BDAERO Cc1nc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cs1 ZINC000282281989 179975495 /nfs/dbraw/zinc/97/54/95/179975495.db2.gz IHJJZLHLDXBLDI-XVKPBYJWSA-N 1 0 239.344 1.208 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000070732654 350053761 /nfs/dbraw/zinc/05/37/61/350053761.db2.gz GMRIEFVXVLXGDR-HTQZYQBOSA-N 1 0 227.333 1.237 10 0 BDAERO CCCNC(=O)NCC1([NH3+])C[C@@H](C)C[C@H](C)C1 ZINC000725254842 538048780 /nfs/dbraw/zinc/04/87/80/538048780.db2.gz GPLAXKXNELXCDY-QWRGUYRKSA-N 1 0 241.379 1.849 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000392856547 350108093 /nfs/dbraw/zinc/10/80/93/350108093.db2.gz RYDVVAGTPOATHC-SCZZXKLOSA-N 1 0 208.261 1.054 10 0 BDAERO Cn1cnc(C[NH2+]CC2CCCCCC2)n1 ZINC000218958518 350108771 /nfs/dbraw/zinc/10/87/71/350108771.db2.gz KURJVJFFXXHOJQ-UHFFFAOYSA-N 1 0 222.336 1.875 10 0 BDAERO Cc1nc(N(C)C)sc1C[NH2+]C1CC1 ZINC000045206738 179995364 /nfs/dbraw/zinc/99/53/64/179995364.db2.gz VFINVIMUDUPVQA-UHFFFAOYSA-N 1 0 211.334 1.770 10 0 BDAERO c1cc2c(s1)CCN([C@@H]1CC[NH2+]C1)C2 ZINC000051783446 350110836 /nfs/dbraw/zinc/11/08/36/350110836.db2.gz CZXKAKCNNSQALI-SNVBAGLBSA-N 1 0 208.330 1.468 10 0 BDAERO Cc1nc(N)sc1SCC[NH+](C)C ZINC000019518807 180001424 /nfs/dbraw/zinc/00/14/24/180001424.db2.gz XONUCZIPWCGFCY-UHFFFAOYSA-N 1 0 217.363 1.687 10 0 BDAERO Cc1nc(N2CCCC2)ncc1[C@H](C)[NH3+] ZINC000040539124 180001426 /nfs/dbraw/zinc/00/14/26/180001426.db2.gz HOVMSONUWLSOHQ-QMMMGPOBSA-N 1 0 206.293 1.405 10 0 BDAERO Cc1nc(N2CCOCC2)sc1[C@H](C)[NH3+] ZINC000040543798 180002349 /nfs/dbraw/zinc/00/23/49/180002349.db2.gz PJZAVEDQXIOQMS-ZETCQYMHSA-N 1 0 227.333 1.308 10 0 BDAERO Cc1nc(N2CCCO[C@@H](C)C2)sc1C[NH3+] ZINC000061936980 180002413 /nfs/dbraw/zinc/00/24/13/180002413.db2.gz XOWHVWHSHQSTMD-QMMMGPOBSA-N 1 0 241.360 1.525 10 0 BDAERO Cc1nc(N2CC[C@H](C)C2)sc1C[NH3+] ZINC000054998405 180004065 /nfs/dbraw/zinc/00/40/65/180004065.db2.gz BALFOIBDKZZFKB-ZETCQYMHSA-N 1 0 211.334 1.756 10 0 BDAERO CC[NH2+]CCCNc1cncc(OC(C)C)n1 ZINC000071175990 350090228 /nfs/dbraw/zinc/09/02/28/350090228.db2.gz OJPXWSVDPAFBSL-UHFFFAOYSA-N 1 0 238.335 1.675 10 0 BDAERO Cc1nc([C@@H]2CCC[N@@H+]2CCCO)cs1 ZINC000189768136 180044897 /nfs/dbraw/zinc/04/48/97/180044897.db2.gz WPVHMIOPFKXCHT-NSHDSACASA-N 1 0 226.345 1.971 10 0 BDAERO Cc1nc([C@H]([NH3+])Cc2ccccc2)no1 ZINC000036762238 180053012 /nfs/dbraw/zinc/05/30/12/180053012.db2.gz NYQXTCRCYNVWLL-SNVBAGLBSA-N 1 0 203.245 1.621 10 0 BDAERO CCCCCS(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000184407719 535104802 /nfs/dbraw/zinc/10/48/02/535104802.db2.gz WGCGADGCQUKDAS-NSHDSACASA-N 1 0 248.392 1.142 10 0 BDAERO CCN(c1cc(C[NH3+])ccc1F)S(C)(=O)=O ZINC000725255418 538051738 /nfs/dbraw/zinc/05/17/38/538051738.db2.gz ATZHTVJPIFXCMK-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO CO[C@H](C[C@H]([NH3+])c1ncccn1)C1CC1 ZINC000725255364 538051778 /nfs/dbraw/zinc/05/17/78/538051778.db2.gz ZYNONWJJPRZQCA-VHSXEESVSA-N 1 0 207.277 1.292 10 0 BDAERO Cc1nc2c(n1CC[NH+](C)C)CCCC2 ZINC000076095353 180072315 /nfs/dbraw/zinc/07/23/15/180072315.db2.gz PZLUBBMYYVRNOQ-UHFFFAOYSA-N 1 0 207.321 1.632 10 0 BDAERO C[C@@H](CC[NH2+]CC1CCOCC1)[S@](C)=O ZINC000132585397 191034470 /nfs/dbraw/zinc/03/44/70/191034470.db2.gz VLIWMBLUMOOZSB-ZUZCIYMTSA-N 1 0 233.377 1.160 10 0 BDAERO Cc1nc2cc(N)ccc2n1CC[NH+](C)C ZINC000052842595 180081866 /nfs/dbraw/zinc/08/18/66/180081866.db2.gz WIAJZOYLSSYRNX-UHFFFAOYSA-N 1 0 218.304 1.489 10 0 BDAERO CCn1cc(C(N)=[NH2+])c(C(F)(F)F)n1 ZINC000409438535 350137438 /nfs/dbraw/zinc/13/74/38/350137438.db2.gz LTEBOSUUARTQPU-UHFFFAOYSA-N 1 0 206.171 1.206 10 0 BDAERO Cc1nc2ccc(OCC[NH3+])cc2s1 ZINC000062199774 180096749 /nfs/dbraw/zinc/09/67/49/180096749.db2.gz MVVVQZAQOSPKMX-UHFFFAOYSA-N 1 0 208.286 1.942 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)[C@@H]1CCOC1 ZINC000133056725 191036513 /nfs/dbraw/zinc/03/65/13/191036513.db2.gz ZOPFOLRNHQGBIC-MCIONIFRSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1C[C@@H]1C ZINC000336748254 180110599 /nfs/dbraw/zinc/11/05/99/180110599.db2.gz SOWLERAHLDEPJQ-GDPRMGEGSA-N 1 0 220.320 1.667 10 0 BDAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1C[C@H]1C ZINC000336748264 180110739 /nfs/dbraw/zinc/11/07/39/180110739.db2.gz SOWLERAHLDEPJQ-IEBDPFPHSA-N 1 0 220.320 1.667 10 0 BDAERO Cc1[nH+]c2cccc(Br)n2c1N ZINC000299889765 180099890 /nfs/dbraw/zinc/09/98/90/180099890.db2.gz OJJCOECEWJUJFN-UHFFFAOYSA-N 1 0 226.077 1.987 10 0 BDAERO Cc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])s1 ZINC000185416999 180131542 /nfs/dbraw/zinc/13/15/42/180131542.db2.gz RBRNWGKPALJAPL-DTWKUNHWSA-N 1 0 239.344 1.451 10 0 BDAERO Nc1cccnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062975946 187440623 /nfs/dbraw/zinc/44/06/23/187440623.db2.gz XDSDSPRKWWFMNH-LLVKDONJSA-N 1 0 232.331 1.338 10 0 BDAERO C[C@@H](C[NH3+])CNc1ccccc1S(C)(=O)=O ZINC000083387545 350192303 /nfs/dbraw/zinc/19/23/03/350192303.db2.gz XIAJQONYGZLTGX-VIFPVBQESA-N 1 0 242.344 1.097 10 0 BDAERO [NH3+][C@@H]1CCN(CC(=O)c2ccc(F)cc2F)C1 ZINC000050242306 350192671 /nfs/dbraw/zinc/19/26/71/350192671.db2.gz FQZYPXRAATXELM-SECBINFHSA-N 1 0 240.253 1.181 10 0 BDAERO Cc1ncc(NC2CC[NH2+]CC2)nc1C ZINC000062202743 180170299 /nfs/dbraw/zinc/17/02/99/180170299.db2.gz ITNAKBPCOFHNSH-UHFFFAOYSA-N 1 0 206.293 1.257 10 0 BDAERO CC(C)(C)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084519 187441322 /nfs/dbraw/zinc/44/13/22/187441322.db2.gz PZOJNRKOXKNDLR-SECBINFHSA-N 1 0 223.320 1.909 10 0 BDAERO Cc1nccc(OCC[C@H]2CCC[NH2+]C2)n1 ZINC000054937499 180207365 /nfs/dbraw/zinc/20/73/65/180207365.db2.gz QOQFMBZRZIPYPS-LLVKDONJSA-N 1 0 221.304 1.554 10 0 BDAERO Cc1nccc(C[NH2+]CC2CCOCC2)n1 ZINC000052172236 180189521 /nfs/dbraw/zinc/18/95/21/180189521.db2.gz NCBSXJBLEQVZQN-UHFFFAOYSA-N 1 0 221.304 1.301 10 0 BDAERO Cc1ncccc1C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000122752246 180218257 /nfs/dbraw/zinc/21/82/57/180218257.db2.gz MHDWQPYDRGOHTO-CYBMUJFWSA-N 1 0 247.342 1.443 10 0 BDAERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=S ZINC000221892100 350224905 /nfs/dbraw/zinc/22/49/05/350224905.db2.gz ZFUQARNCJXWVAH-AEJSXWLSSA-N 1 0 214.378 1.887 10 0 BDAERO Cc1nccn1CCC[NH2+]Cc1cnn(C)c1C ZINC000270022305 180245670 /nfs/dbraw/zinc/24/56/70/180245670.db2.gz APHMEBUQYUWXDQ-UHFFFAOYSA-N 1 0 247.346 1.413 10 0 BDAERO [NH3+]CC1(C2(O)CCSCC2)CCC1 ZINC000606275987 538081871 /nfs/dbraw/zinc/08/18/71/538081871.db2.gz VIYMVTINVAZHCT-UHFFFAOYSA-N 1 0 201.335 1.374 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)CCN1C ZINC000252204297 538084979 /nfs/dbraw/zinc/08/49/79/538084979.db2.gz WWKRZISCYWOKRU-AAVRWANBSA-N 1 0 240.391 1.752 10 0 BDAERO Cc1nccnc1N(C)C[C@H]1CCCC[NH2+]1 ZINC000095070819 180275043 /nfs/dbraw/zinc/27/50/43/180275043.db2.gz BMABTWAYOAURIT-LLVKDONJSA-N 1 0 220.320 1.363 10 0 BDAERO Cc1nccn1C[C@H]([NH3+])c1cccs1 ZINC000011848634 180268910 /nfs/dbraw/zinc/26/89/10/180268910.db2.gz LYDHPSPBGPZMJU-VIFPVBQESA-N 1 0 207.302 1.953 10 0 BDAERO Cc1nccn1C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000035727643 180269913 /nfs/dbraw/zinc/26/99/13/180269913.db2.gz LDJLXWFEYFGQJL-ZDUSSCGKSA-N 1 0 231.299 1.384 10 0 BDAERO Cc1nccn1[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348735 180270891 /nfs/dbraw/zinc/27/08/91/180270891.db2.gz CXZBRRLHPOKYMP-SKDRFNHKSA-N 1 0 216.288 1.523 10 0 BDAERO c1ccc2nc(CN[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000223567762 350279463 /nfs/dbraw/zinc/27/94/63/350279463.db2.gz WZWQVXAJKAVBPF-GFCCVEGCSA-N 1 0 227.311 1.686 10 0 BDAERO Cc1ncn([C@H](C[NH3+])c2ccccn2)c1C ZINC000051925770 180289321 /nfs/dbraw/zinc/28/93/21/180289321.db2.gz COLZIQYUDMVBLE-GFCCVEGCSA-N 1 0 216.288 1.443 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC(C1CC1)C1CC1 ZINC000384386925 350311314 /nfs/dbraw/zinc/31/13/14/350311314.db2.gz MOQLEADETZRIKI-CABZTGNLSA-N 1 0 236.359 1.679 10 0 BDAERO Cc1nccnc1OC[C@H]1CCCC[NH2+]1 ZINC000095069459 180279573 /nfs/dbraw/zinc/27/95/73/180279573.db2.gz OAOPJSPYHFGDTD-SNVBAGLBSA-N 1 0 207.277 1.306 10 0 BDAERO C[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H](CO)C1 ZINC000224470431 350323597 /nfs/dbraw/zinc/32/35/97/350323597.db2.gz JIBJNFSQKLPWIJ-GXTWGEPZSA-N 1 0 219.328 1.932 10 0 BDAERO Cc1ncsc1CCOCC[NH2+]C1CC1 ZINC000052623385 180311294 /nfs/dbraw/zinc/31/12/94/180311294.db2.gz RTISLWKAWKZBJB-UHFFFAOYSA-N 1 0 226.345 1.763 10 0 BDAERO CC1(C(=O)N[C@@H]2CCCC23CC[NH2+]CC3)CC1 ZINC000725263956 538090678 /nfs/dbraw/zinc/09/06/78/538090678.db2.gz DEQARTWUYXRCLU-LLVKDONJSA-N 1 0 236.359 1.825 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000225159862 350352868 /nfs/dbraw/zinc/35/28/68/350352868.db2.gz KFEJYZSMDDKCLZ-HRDYMLBCSA-N 1 0 216.350 1.160 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2ncccn2)C1 ZINC000040503242 350369546 /nfs/dbraw/zinc/36/95/46/350369546.db2.gz REPGJTZWVIZLDW-SNVBAGLBSA-N 1 0 206.293 1.373 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000042545999 180326792 /nfs/dbraw/zinc/32/67/92/180326792.db2.gz RWRAYECFZWCLKZ-ZJUUUORDSA-N 1 0 225.361 1.806 10 0 BDAERO Cc1ncsc1[C@H](C)N1CC[NH2+]CC1 ZINC000041626855 180326843 /nfs/dbraw/zinc/32/68/43/180326843.db2.gz XDPJSBRGPSHNBV-VIFPVBQESA-N 1 0 211.334 1.418 10 0 BDAERO Cc1nn(-c2c(CC[NH3+])c(C)nn2C)c(C)c1C ZINC000104286723 180326972 /nfs/dbraw/zinc/32/69/72/180326972.db2.gz QFENRLGHLVWJPC-UHFFFAOYSA-N 1 0 247.346 1.341 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000038061135 180327598 /nfs/dbraw/zinc/32/75/98/180327598.db2.gz UKQJCJLHAIJVRC-WCBMZHEXSA-N 1 0 242.344 1.518 10 0 BDAERO Cc1nn(C)c(C)c1N[C@H]1CC[N@H+](C)C1 ZINC000061984786 180345332 /nfs/dbraw/zinc/34/53/32/180345332.db2.gz ZIPVGCCUOHHHJP-JTQLQIEISA-N 1 0 208.309 1.153 10 0 BDAERO Cc1nn(C)c(N(C)CC2CC2)c1C[NH3+] ZINC000037926039 180350543 /nfs/dbraw/zinc/35/05/43/180350543.db2.gz NJRQEGBRWXUMBM-UHFFFAOYSA-N 1 0 208.309 1.033 10 0 BDAERO Cc1nn(C)c(N2CCCC2(C)C)c1C(N)=[NH2+] ZINC000104304736 180354851 /nfs/dbraw/zinc/35/48/51/180354851.db2.gz HMZJJSNGPCCYTK-UHFFFAOYSA-N 1 0 235.335 1.391 10 0 BDAERO CCCCNC(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725264420 538092028 /nfs/dbraw/zinc/09/20/28/538092028.db2.gz MHWBKKQYNSDKEV-AAEUAGOBSA-N 1 0 239.363 1.760 10 0 BDAERO C[C@H]([NH2+]CC(C)(C)O)[C@@H]1COc2ccccc21 ZINC000162982970 350490228 /nfs/dbraw/zinc/49/02/28/350490228.db2.gz MASXZPFTFDLNSO-JQWIXIFHSA-N 1 0 235.327 1.912 10 0 BDAERO [NH3+]C1CN(CC(=O)c2ccccc2Cl)C1 ZINC000409424235 350476007 /nfs/dbraw/zinc/47/60/07/350476007.db2.gz TWPTVFKWKSMQTF-UHFFFAOYSA-N 1 0 224.691 1.166 10 0 BDAERO c1nn(C[C@H]2CCC[NH2+]2)cc1-c1ccncc1 ZINC000409437252 350480449 /nfs/dbraw/zinc/48/04/49/350480449.db2.gz FHKRBZBKBYCMQP-CYBMUJFWSA-N 1 0 228.299 1.697 10 0 BDAERO Cc1nn(CCC(N)=[NH2+])c(C)c1Cl ZINC000050586905 180385888 /nfs/dbraw/zinc/38/58/88/180385888.db2.gz XMILBUXJIXQHJO-UHFFFAOYSA-N 1 0 200.673 1.479 10 0 BDAERO CCN1CCO[C@@H](OC(F)(F)F)CC1 ZINC000616593056 350495339 /nfs/dbraw/zinc/49/53/39/350495339.db2.gz HHWILVFTCCJFGF-ZETCQYMHSA-N 1 0 213.199 1.591 10 0 BDAERO Cc1nn(CC2CC2)c(C)c1C[C@@H](C)[NH3+] ZINC000054741083 180386201 /nfs/dbraw/zinc/38/62/01/180386201.db2.gz ISPRGBPJEMUQLZ-MRVPVSSYSA-N 1 0 207.321 1.800 10 0 BDAERO Fc1ccc(-c2cnnn2[C@@H]2CC[NH2+]C2)cn1 ZINC000725266158 538094224 /nfs/dbraw/zinc/09/42/24/538094224.db2.gz QWSWGRYPZHINLU-SECBINFHSA-N 1 0 233.250 1.014 10 0 BDAERO N[C@H](CC[NH3+])c1ccc2ccccc2n1 ZINC000060054469 350496788 /nfs/dbraw/zinc/49/67/88/350496788.db2.gz JRVGWMKCMSSEMV-SNVBAGLBSA-N 1 0 201.273 1.583 10 0 BDAERO FC(F)c1nnc(NCC2CC[NH2+]CC2)s1 ZINC000309450504 350500008 /nfs/dbraw/zinc/50/00/08/350500008.db2.gz QUDLAEYOQJOPBW-UHFFFAOYSA-N 1 0 248.302 1.887 10 0 BDAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)C(N)=O ZINC000061676875 350525244 /nfs/dbraw/zinc/52/52/44/350525244.db2.gz DOYYVQNTRCRFNW-RKDXNWHRSA-N 1 0 210.277 1.503 10 0 BDAERO CC(C)(C[NH3+])Nc1ccc(Br)cn1 ZINC000063020889 350596937 /nfs/dbraw/zinc/59/69/37/350596937.db2.gz BQWMUOSCYDVSNU-UHFFFAOYSA-N 1 0 244.136 1.993 10 0 BDAERO Cc1nnc2n1C[C@@H]([NH2+]C1CCCC1)CC2 ZINC000364429443 180450057 /nfs/dbraw/zinc/45/00/57/180450057.db2.gz ZEXINUHVJKTCID-NSHDSACASA-N 1 0 220.320 1.434 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000361130473 180450504 /nfs/dbraw/zinc/45/05/04/180450504.db2.gz YXHGZQRDGSEBLP-MWLCHTKSSA-N 1 0 222.336 1.535 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+][C@H](C)C1CC1)CC2 ZINC000309564550 180450713 /nfs/dbraw/zinc/45/07/13/180450713.db2.gz LWXSCDFUTNOCGR-LDYMZIIASA-N 1 0 220.320 1.289 10 0 BDAERO CC[N@@H+]1CCOCC[C@H]1c1ccnnc1 ZINC000616598357 350660430 /nfs/dbraw/zinc/66/04/30/350660430.db2.gz PNXIEIVKQILEKI-NSHDSACASA-N 1 0 207.277 1.260 10 0 BDAERO CC1(C)OC[C@@H]([C@@H](CO)CC[NH2+]C2CCC2)O1 ZINC000725267370 538098559 /nfs/dbraw/zinc/09/85/59/538098559.db2.gz BGKZVQDUGDWXFE-PWSUYJOCSA-N 1 0 243.347 1.279 10 0 BDAERO Cc1noc(COc2cccc(CC[NH3+])c2)n1 ZINC000037721271 180490596 /nfs/dbraw/zinc/49/05/96/180490596.db2.gz FIMWZQPEKSXFPV-UHFFFAOYSA-N 1 0 233.271 1.458 10 0 BDAERO c1cnc2c(c1)cccc2[C@H]1C[NH2+]CCOC1 ZINC000616599085 350712611 /nfs/dbraw/zinc/71/26/11/350712611.db2.gz WBODZXJNCIYXDV-LBPRGKRZSA-N 1 0 228.295 1.938 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616598624 350677003 /nfs/dbraw/zinc/67/70/03/350677003.db2.gz FVNSEDSUIYESCW-CQSZACIVSA-N 1 0 235.327 1.615 10 0 BDAERO C[N@@H+]1CCOC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616598779 350689174 /nfs/dbraw/zinc/68/91/74/350689174.db2.gz RKMRWFDWGYMYHA-AWEZNQCLSA-N 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1 0 206.289 1.194 10 0 BDAERO CC[N@@H+]1CCCO[C@@H](c2cccnc2)C1 ZINC000616653712 351193567 /nfs/dbraw/zinc/19/35/67/351193567.db2.gz WBEKSDOGJCEPLV-GFCCVEGCSA-N 1 0 206.289 1.865 10 0 BDAERO C[N@@H+]1CCCO[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616653608 351193842 /nfs/dbraw/zinc/19/38/42/351193842.db2.gz YZMIQVDCLJCLSE-GFCCVEGCSA-N 1 0 234.299 1.179 10 0 BDAERO CNC(=[NH2+])NCc1coc(Br)c1 ZINC000306851420 351174744 /nfs/dbraw/zinc/17/47/44/351174744.db2.gz QLGDAOYNDYJYDF-UHFFFAOYSA-N 1 0 232.081 1.286 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1ccccc1C(N)=O ZINC000616649614 351179035 /nfs/dbraw/zinc/17/90/35/351179035.db2.gz NKZZHKXZNHDEEJ-LBPRGKRZSA-N 1 0 234.299 1.179 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2ncc[nH]2)C1 ZINC000616652663 351185892 /nfs/dbraw/zinc/18/58/92/351185892.db2.gz IJOJFKRXYRWSBU-SNVBAGLBSA-N 1 0 209.293 1.582 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cc[nH]n2)C1 ZINC000616653380 351187855 /nfs/dbraw/zinc/18/78/55/351187855.db2.gz NHJKVVDICQHPMO-LLVKDONJSA-N 1 0 223.320 1.972 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@@H](n2cccn2)C1 ZINC000616651861 351188756 /nfs/dbraw/zinc/18/87/56/351188756.db2.gz AVZRBDHZVGSKFF-LLVKDONJSA-N 1 0 223.320 1.903 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cccnc1N ZINC000616637332 351131967 /nfs/dbraw/zinc/13/19/67/351131967.db2.gz KMNDLWOUBRGVHL-LLVKDONJSA-N 1 0 234.347 1.409 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cccnc1N ZINC000616637276 351132392 /nfs/dbraw/zinc/13/23/92/351132392.db2.gz KMNDLWOUBRGVHL-NSHDSACASA-N 1 0 234.347 1.409 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cn[nH]c1 ZINC000616637449 351132971 /nfs/dbraw/zinc/13/29/71/351132971.db2.gz MOOWZKGKSXPETJ-JTQLQIEISA-N 1 0 208.309 1.155 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1cccc(NC(C)=O)c1 ZINC000616637694 351135074 /nfs/dbraw/zinc/13/50/74/351135074.db2.gz QKAHOXYLCIAIFS-CQSZACIVSA-N 1 0 247.342 1.611 10 0 BDAERO CNc1cccc([C@H]2COCCN2CCO)c1 ZINC000616638579 351140656 /nfs/dbraw/zinc/14/06/56/351140656.db2.gz XZJADMVJHIOOGM-CYBMUJFWSA-N 1 0 236.315 1.094 10 0 BDAERO NC(=O)N1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000616638720 351141556 /nfs/dbraw/zinc/14/15/56/351141556.db2.gz IIENADSMRBPOPA-JTQLQIEISA-N 1 0 239.706 1.365 10 0 BDAERO [NH3+]CC[C@H]1CCc2ccccc2N1CCO ZINC000616669206 351228868 /nfs/dbraw/zinc/22/88/68/351228868.db2.gz MVZFKAMIVOVJDU-GFCCVEGCSA-N 1 0 220.316 1.149 10 0 BDAERO CCOC(=O)N1C[C@@H]([NH2+]C)Cc2ccccc21 ZINC000616672387 351235787 /nfs/dbraw/zinc/23/57/87/351235787.db2.gz ROGUUBPXLCWPSS-NSHDSACASA-N 1 0 234.299 1.794 10 0 BDAERO [NH3+]CCN1C[C@@H](c2cnco2)Cc2ccccc21 ZINC000616672489 351235888 /nfs/dbraw/zinc/23/58/88/351235888.db2.gz PBYKZLFBHICBAR-LBPRGKRZSA-N 1 0 243.310 1.780 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2ncc[nH]2)c2ccccc21 ZINC000616676003 351240901 /nfs/dbraw/zinc/24/09/01/351240901.db2.gz VRUFIRKRPVXHMK-GFCCVEGCSA-N 1 0 242.326 1.710 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cnoc1 ZINC000616682516 351252893 /nfs/dbraw/zinc/25/28/93/351252893.db2.gz HEKKNFSXFDKWDB-ZDUSSCGKSA-N 1 0 244.298 1.607 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@H](CCO)CC1 ZINC000616686955 351257823 /nfs/dbraw/zinc/25/78/23/351257823.db2.gz NAMYIJGBMSDTSP-JTQLQIEISA-N 1 0 201.310 1.258 10 0 BDAERO CC[N@@H+]1CCOCC[C@H]1c1cccnc1N ZINC000616655794 351201277 /nfs/dbraw/zinc/20/12/77/351201277.db2.gz CGRJWBVZAVPKGT-NSHDSACASA-N 1 0 221.304 1.447 10 0 BDAERO C[N@@H+]1CCOCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000616655922 351201377 /nfs/dbraw/zinc/20/13/77/351201377.db2.gz MKHDIQSAFZEFAS-SNVBAGLBSA-N 1 0 244.335 1.232 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2ccnnc2)C1 ZINC000616659032 351205217 /nfs/dbraw/zinc/20/52/17/351205217.db2.gz GLZDVYDKZYETIH-GFCCVEGCSA-N 1 0 221.304 1.301 10 0 BDAERO OCCc1cccc([C@H]2CCOCC[NH2+]2)c1 ZINC000616659885 351208994 /nfs/dbraw/zinc/20/89/94/351208994.db2.gz RLRCAPVQYOPFGL-CYBMUJFWSA-N 1 0 221.300 1.272 10 0 BDAERO C[N@@H+]1CCOC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616661782 351210798 /nfs/dbraw/zinc/21/07/98/351210798.db2.gz RXBYRYOEKOLLBB-ZDUSSCGKSA-N 1 0 243.310 1.675 10 0 BDAERO OCC[C@@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616660996 351213821 /nfs/dbraw/zinc/21/38/21/351213821.db2.gz VBDPYRVYYMWEAM-CQSZACIVSA-N 1 0 235.327 1.660 10 0 BDAERO C[N@@H+]1CCOC[C@H](c2cccc(F)c2)C1 ZINC000616661005 351214231 /nfs/dbraw/zinc/21/42/31/351214231.db2.gz YZOUYMGCMJKNLK-LLVKDONJSA-N 1 0 209.264 1.871 10 0 BDAERO [NH3+]CCN1CCOC[C@H](c2ccccc2F)C1 ZINC000616663021 351214780 /nfs/dbraw/zinc/21/47/80/351214780.db2.gz GLLOVEUPBHVDRB-LLVKDONJSA-N 1 0 238.306 1.200 10 0 BDAERO Clc1ccc2c(c1)CCN1CC[NH2+]C[C@@H]21 ZINC000040443252 180586807 /nfs/dbraw/zinc/58/68/07/180586807.db2.gz SCEAPIGTKQBCEP-LBPRGKRZSA-N 1 0 222.719 1.842 10 0 BDAERO Clc1ccc(OCC[C@H]2CCC[NH2+]C2)nn1 ZINC000051918725 180584071 /nfs/dbraw/zinc/58/40/71/180584071.db2.gz TVXHQUSQNXDXJH-SECBINFHSA-N 1 0 241.722 1.899 10 0 BDAERO [NH3+]CCNc1occc1Br ZINC000068980785 351310807 /nfs/dbraw/zinc/31/08/07/351310807.db2.gz BELAANYPTORECX-UHFFFAOYSA-N 1 0 205.055 1.413 10 0 BDAERO [NH3+][C@H]1CCCN(c2occc2Br)C1 ZINC000068980771 351311104 /nfs/dbraw/zinc/31/11/04/351311104.db2.gz QYDNVVSQBCZVHM-ZETCQYMHSA-N 1 0 245.120 1.970 10 0 BDAERO CC1(CC(=O)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000306903296 351317464 /nfs/dbraw/zinc/31/74/64/351317464.db2.gz IQLVJMURSGFUMI-NSHDSACASA-N 1 0 211.305 1.514 10 0 BDAERO C[NH2+]CCc1occc1Br ZINC000068983319 351321059 /nfs/dbraw/zinc/32/10/59/351321059.db2.gz FWXFTELWRRJDDX-UHFFFAOYSA-N 1 0 204.067 1.804 10 0 BDAERO CCN(Cc1ccccc1)C1=[NH+]C[C@H](C)N1 ZINC000306909676 351322901 /nfs/dbraw/zinc/32/29/01/351322901.db2.gz HEVUPSWLMPSZCX-NSHDSACASA-N 1 0 217.316 1.856 10 0 BDAERO CC1(C)C[C@@H](SC(N)=[NH2+])C(C)(C)O1 ZINC000168056792 351275330 /nfs/dbraw/zinc/27/53/30/351275330.db2.gz AAPNKIZAKXLTOG-ZCFIWIBFSA-N 1 0 202.323 1.959 10 0 BDAERO CC(C)[C@@H]1[C@H](C)[NH2+]CC[C@H](C)[S@@]1=O ZINC000306987090 351404601 /nfs/dbraw/zinc/40/46/01/351404601.db2.gz PRTSYVMHPYRKMT-XHSYRHOGSA-N 1 0 203.351 1.530 10 0 BDAERO [NH3+][C@@H]1C[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000306974183 351395443 /nfs/dbraw/zinc/39/54/43/351395443.db2.gz LYKKEEQATWAHDO-QWHCGFSZSA-N 1 0 213.284 1.746 10 0 BDAERO C[C@H]1CCC[NH2+][C@H]1CN=S(C)(C)=O ZINC000306975283 351396373 /nfs/dbraw/zinc/39/63/73/351396373.db2.gz NEODQOXPGUSNMK-IUCAKERBSA-N 1 0 204.339 1.102 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CCCO1)C(=O)NC1CCCC1 ZINC000034936742 351349940 /nfs/dbraw/zinc/34/99/40/351349940.db2.gz MXLAPAHBANQWAE-PWSUYJOCSA-N 1 0 240.347 1.202 10 0 BDAERO CCC(CC)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000034938644 351352885 /nfs/dbraw/zinc/35/28/85/351352885.db2.gz GEKKPPJYPIXEKP-JQWIXIFHSA-N 1 0 242.363 1.448 10 0 BDAERO CCN(CC)C(=O)[C@H](C)[NH2+]CC(C)C ZINC000034938748 351354298 /nfs/dbraw/zinc/35/42/98/351354298.db2.gz PWAWWCSYDQIEBA-JTQLQIEISA-N 1 0 200.326 1.489 10 0 BDAERO CC(C)[C@H]([NH3+])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000034939143 351354643 /nfs/dbraw/zinc/35/46/43/351354643.db2.gz JPNJEXOLPWGVMQ-LBPRGKRZSA-N 1 0 247.298 1.990 10 0 BDAERO COC(=O)CC[NH2+][C@H]1CCc2c1cccc2O ZINC000036852684 358463475 /nfs/dbraw/zinc/46/34/75/358463475.db2.gz RBLXVQYZRFVZAZ-NSHDSACASA-N 1 0 235.283 1.532 10 0 BDAERO CC(C)[C@@H]1[C@H](C)[NH2+]CC[C@@H](C)[S@@]1=O ZINC000306987088 351404008 /nfs/dbraw/zinc/40/40/08/351404008.db2.gz PRTSYVMHPYRKMT-COMAGPEQSA-N 1 0 203.351 1.530 10 0 BDAERO CCOc1ccc([C@@H]([NH3+])c2cnn(C)c2)cc1 ZINC000034957711 351362687 /nfs/dbraw/zinc/36/26/87/351362687.db2.gz GHKVAZZHDSYYBH-CYBMUJFWSA-N 1 0 231.299 1.867 10 0 BDAERO Cc1nc([C@@H]([NH3+])CC2OCCO2)cs1 ZINC000307038003 351440104 /nfs/dbraw/zinc/44/01/04/351440104.db2.gz PEPCJNZGRVUTTR-ZETCQYMHSA-N 1 0 214.290 1.214 10 0 BDAERO C[C@@H]([NH3+])CN1CCC=C(Br)C1 ZINC000404435780 351447971 /nfs/dbraw/zinc/44/79/71/351447971.db2.gz SYQYGELYAGMMCF-SSDOTTSWSA-N 1 0 219.126 1.318 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@]1(F)c1ccns1 ZINC000307064121 351460774 /nfs/dbraw/zinc/46/07/74/351460774.db2.gz PPGOPZHSIBPPEE-CBAPKCEASA-N 1 0 200.282 1.937 10 0 BDAERO C[C@@]1(CNC2=[NH+]CCCS2)CCOC1 ZINC000306993005 351410335 /nfs/dbraw/zinc/41/03/35/351410335.db2.gz XXTKGTUOOFFQHP-JTQLQIEISA-N 1 0 214.334 1.496 10 0 BDAERO COC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000306998557 351412512 /nfs/dbraw/zinc/41/25/12/351412512.db2.gz YIBQNPAJRPZZTK-NSHDSACASA-N 1 0 236.315 1.863 10 0 BDAERO Nc1cc(N2CCC2)c(Br)c[nH+]1 ZINC000307076031 351464861 /nfs/dbraw/zinc/46/48/61/351464861.db2.gz KWJUFBFYBJQPFK-UHFFFAOYSA-N 1 0 228.093 1.636 10 0 BDAERO C[C@H]1CSCC[N@@H+](C2CC([NH3+])C2)C1 ZINC000307076059 351464884 /nfs/dbraw/zinc/46/48/84/351464884.db2.gz KXTDZLJPHNBLJH-XNWIYYODSA-N 1 0 200.351 1.161 10 0 BDAERO [NH3+][C@H]1CC[C@H](N2CCC=C(Cl)C2)C1 ZINC000404396396 351421845 /nfs/dbraw/zinc/42/18/45/351421845.db2.gz PYNOKWWHWIBHLS-UWVGGRQHSA-N 1 0 200.713 1.695 10 0 BDAERO Clc1ccnc(NC[C@H]2CCC[NH2+]2)n1 ZINC000095070152 180596555 /nfs/dbraw/zinc/59/65/55/180596555.db2.gz NVMLSVZQXAGXGK-SSDOTTSWSA-N 1 0 212.684 1.294 10 0 BDAERO [NH3+][C@H](Cc1ncc[nH]1)C1CC(F)(F)C1 ZINC000307147029 351498862 /nfs/dbraw/zinc/49/88/62/351498862.db2.gz HOMLNUUNWXPEQL-SSDOTTSWSA-N 1 0 201.220 1.325 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1OC ZINC000725268190 538100342 /nfs/dbraw/zinc/10/03/42/538100342.db2.gz KJIZLLJQEZXZSN-MFKMUULPSA-N 1 0 236.315 1.108 10 0 BDAERO C[C@@]1(C[NH3+])CCN(c2nc(Cl)cs2)C1 ZINC000307141353 351500629 /nfs/dbraw/zinc/50/06/29/351500629.db2.gz BMRODPLMOHAZNN-VIFPVBQESA-N 1 0 231.752 1.972 10 0 BDAERO C/C(=C\Cl)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000232008852 351506024 /nfs/dbraw/zinc/50/60/24/351506024.db2.gz NLTXUQSGVBPLME-OKJFYCPLSA-N 1 0 202.729 1.941 10 0 BDAERO C/C(=C\Cl)CN1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000232008591 351506140 /nfs/dbraw/zinc/50/61/40/351506140.db2.gz WJWQHBJCNRSDNV-URNYOCNJSA-N 1 0 202.729 1.798 10 0 BDAERO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CCS1(=O)=O ZINC000307157697 351508136 /nfs/dbraw/zinc/50/81/36/351508136.db2.gz YJNWDFVWQKCSFY-PWSUYJOCSA-N 1 0 239.340 1.352 10 0 BDAERO C[C@H]1[NH2+]C[C@@H](C)C[C@H]1NC(=O)OC(C)(C)C ZINC000404490162 351478844 /nfs/dbraw/zinc/47/88/44/351478844.db2.gz PGLZRZQJMRDOTE-IVZWLZJFSA-N 1 0 228.336 1.898 10 0 BDAERO CC[C@H]1CC[NH2+][C@@H](C2(O)CSC2)C1 ZINC000307124080 351489696 /nfs/dbraw/zinc/48/96/96/351489696.db2.gz QJUUNHBGHSCMQB-DTWKUNHWSA-N 1 0 201.335 1.243 10 0 BDAERO CC[C@H]1CC[NH2+][C@H](C2(O)CSC2)C1 ZINC000307124081 351489793 /nfs/dbraw/zinc/48/97/93/351489793.db2.gz QJUUNHBGHSCMQB-IUCAKERBSA-N 1 0 201.335 1.243 10 0 BDAERO CC[C@@H]1C[S@@](=O)C[C@H](C2CCC2)[NH2+]1 ZINC000307166773 351536810 /nfs/dbraw/zinc/53/68/10/351536810.db2.gz PVZURRGRKCZWEC-GIPNMCIBSA-N 1 0 201.335 1.286 10 0 BDAERO ClC(Cl)=CCSC1=[NH+]CCN1 ZINC000403794663 363050244 /nfs/dbraw/zinc/05/02/44/363050244.db2.gz CLMLQXNXUZAGEJ-UHFFFAOYSA-N 1 0 211.117 1.998 10 0 BDAERO Clc1nccc(S[C@@H]2CC[NH2+]C2)n1 ZINC000095070174 180602198 /nfs/dbraw/zinc/60/21/98/180602198.db2.gz YCLNAAWEIZHXPV-ZCFIWIBFSA-N 1 0 215.709 1.584 10 0 BDAERO Clc1nccc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000095070334 180602377 /nfs/dbraw/zinc/60/23/77/180602377.db2.gz AMGKTFSTWDQTOG-MRVPVSSYSA-N 1 0 227.695 1.651 10 0 BDAERO COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)[C@H](F)[C@H]1CCC[N@H+]12 ZINC000606304424 351563106 /nfs/dbraw/zinc/56/31/06/351563106.db2.gz YPPKYYKSDZTHDT-ROHXPCBUSA-N 1 0 241.306 1.760 10 0 BDAERO CC[C@@H]1CS[C@@]2(CCC[NH2+][C@H]2C)N1 ZINC000307201123 351602252 /nfs/dbraw/zinc/60/22/52/351602252.db2.gz ZMPJTPYBOBUCFU-IVZWLZJFSA-N 1 0 200.351 1.570 10 0 BDAERO CSC1CC[NH+]([C@@H](C)C(C)=O)CC1 ZINC000300866135 363076308 /nfs/dbraw/zinc/07/63/08/363076308.db2.gz PXRDZJBVQYQAFI-QMMMGPOBSA-N 1 0 201.335 1.791 10 0 BDAERO C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@@H]2C)CS1 ZINC000307223030 351649181 /nfs/dbraw/zinc/64/91/81/351649181.db2.gz JUYJBQGKULWCFH-XFWSIPNHSA-N 1 0 200.351 1.302 10 0 BDAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000637797483 351630072 /nfs/dbraw/zinc/63/00/72/351630072.db2.gz BYPPMJKYTATXCG-QWRGUYRKSA-N 1 0 222.332 1.516 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1ccncc1Br 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/nfs/dbraw/zinc/79/16/67/351791667.db2.gz AMFAELJBKJHOFD-QMMMGPOBSA-N 1 0 245.731 1.502 10 0 BDAERO NC(=[NH2+])[C@H]1CCCCN1Cc1ccccc1 ZINC000307257851 351796070 /nfs/dbraw/zinc/79/60/70/351796070.db2.gz BLGVOGZEKYTRCM-GFCCVEGCSA-N 1 0 217.316 1.977 10 0 BDAERO Cn1cc(C[NH2+]CCCO)c2ccccc21 ZINC000045945072 180648573 /nfs/dbraw/zinc/64/85/73/180648573.db2.gz RKSZGSVEIKHFRW-UHFFFAOYSA-N 1 0 218.300 1.650 10 0 BDAERO CC[C@@H](NC(=O)c1cnc(C[NH3+])nc1)C(C)C ZINC000637949708 351826089 /nfs/dbraw/zinc/82/60/89/351826089.db2.gz FDLOVXCUUTXEIC-SNVBAGLBSA-N 1 0 236.319 1.100 10 0 BDAERO CCN(c1cccc(C[NH3+])c1)S(=O)(=O)CC ZINC000725269309 538101370 /nfs/dbraw/zinc/10/13/70/538101370.db2.gz PRIHJAQJLZTUMP-UHFFFAOYSA-N 1 0 242.344 1.321 10 0 BDAERO Cc1nc(C)c([C@@H]2OCCC[C@@H]2[NH3+])s1 ZINC000307268799 351815897 /nfs/dbraw/zinc/81/58/97/351815897.db2.gz LHCVDHTUYYMRET-DTWKUNHWSA-N 1 0 212.318 1.939 10 0 BDAERO CCCC[N@H+](CCO)[C@H]1CCO[C@@]12CCOC2 ZINC000725269431 538101426 /nfs/dbraw/zinc/10/14/26/538101426.db2.gz UBINFCICSXMDQK-QWHCGFSZSA-N 1 0 243.347 1.029 10 0 BDAERO C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)C1CCCC1 ZINC000637992268 351869807 /nfs/dbraw/zinc/86/98/07/351869807.db2.gz XRVVRGFIVKPMPN-SECBINFHSA-N 1 0 248.330 1.244 10 0 BDAERO Brc1occc1CN1CC[NH2+]CC1 ZINC000096895330 187535660 /nfs/dbraw/zinc/53/56/60/187535660.db2.gz KWJUFNPTAIRGGF-UHFFFAOYSA-N 1 0 245.120 1.447 10 0 BDAERO C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CSC1 ZINC000307296366 351906986 /nfs/dbraw/zinc/90/69/86/351906986.db2.gz QSAJMHOYONZMBX-WPRPVWTQSA-N 1 0 200.351 1.032 10 0 BDAERO C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CS1 ZINC000307332164 352048206 /nfs/dbraw/zinc/04/82/06/352048206.db2.gz CEBWICPIKXPZKB-KXUCPTDWSA-N 1 0 200.351 1.222 10 0 BDAERO Cc1cocc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000638207492 352069974 /nfs/dbraw/zinc/06/99/74/352069974.db2.gz BOCLDSPRZCAGGE-GXSJLCMTSA-N 1 0 222.288 1.458 10 0 BDAERO C[C@@H]1C[C@@](C[NH3+])(N2CC(C)(C)C2)CS1 ZINC000307322384 352015812 /nfs/dbraw/zinc/01/58/12/352015812.db2.gz YXLXFXZAMSEZAY-KOLCDFICSA-N 1 0 214.378 1.551 10 0 BDAERO Cn1cc([C@H]2C[C@@H]2C[NH2+]C(C)(C)C)cn1 ZINC000054596946 180675584 /nfs/dbraw/zinc/67/55/84/180675584.db2.gz CEWWDWGAPLGLIW-KOLCDFICSA-N 1 0 207.321 1.912 10 0 BDAERO [NH3+][C@@H](CN1C(=O)c2ccccc2C1=O)C1CCC1 ZINC000307324131 352019125 /nfs/dbraw/zinc/01/91/25/352019125.db2.gz DBBRVUWLSGTJIC-LBPRGKRZSA-N 1 0 244.294 1.410 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)C1CCC=CCC1 ZINC000638165826 352030460 /nfs/dbraw/zinc/03/04/60/352030460.db2.gz QEEABQQOJSBAMK-LLVKDONJSA-N 1 0 222.332 1.459 10 0 BDAERO C[C@@H]1C[C@@H]1[C@H]1C[S@@](=O)CC[C@@H](C)[NH2+]1 ZINC000307340825 352089611 /nfs/dbraw/zinc/08/96/11/352089611.db2.gz UDQBODRXSDBVGC-YANYRWCTSA-N 1 0 201.335 1.142 10 0 BDAERO C[C@@H](CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)C(F)(F)F ZINC000638331326 352150389 /nfs/dbraw/zinc/15/03/89/352150389.db2.gz JXDSOUONAIIRJZ-CSMHCCOUSA-N 1 0 238.253 1.381 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC=CCC2)C[C@H]1[NH3+] ZINC000638332336 352154386 /nfs/dbraw/zinc/15/43/86/352154386.db2.gz NXPJPKSLPDEMRR-ZYHUDNBSSA-N 1 0 222.332 1.538 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1nccnc1C ZINC000214309266 363123841 /nfs/dbraw/zinc/12/38/41/363123841.db2.gz OEMHDSBZAYUGHY-SNVBAGLBSA-N 1 0 208.309 1.714 10 0 BDAERO [NH3+]C1(c2ccc(OC(F)F)nn2)CC1 ZINC000307351516 352258147 /nfs/dbraw/zinc/25/81/47/352258147.db2.gz KMJKUMQWAJVDAM-UHFFFAOYSA-N 1 0 201.176 1.026 10 0 BDAERO CCC[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)OCC ZINC000638459610 352271355 /nfs/dbraw/zinc/27/13/55/352271355.db2.gz ZDXBUAWSTVJSEO-NWDGAFQWSA-N 1 0 242.363 1.307 10 0 BDAERO CO[C@@H]1CN(Cc2ccnc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630075857 363163032 /nfs/dbraw/zinc/16/30/32/363163032.db2.gz HEDHBBDIZJLOMA-KBPBESRZSA-N 1 0 249.358 1.328 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1C(=O)c1cnccn1 ZINC000226477929 363164059 /nfs/dbraw/zinc/16/40/59/363164059.db2.gz FOUWNHDLPDUVQP-BDAKNGLRSA-N 1 0 205.261 1.177 10 0 BDAERO COC1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000638444235 352250338 /nfs/dbraw/zinc/25/03/38/352250338.db2.gz BSSQDZSRKJLYTD-UNXYVOJBSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725270838 538102581 /nfs/dbraw/zinc/10/25/81/538102581.db2.gz FNBPTOOCOLONPU-YYHQMBLXSA-N 1 0 225.332 1.257 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000224700932 363178869 /nfs/dbraw/zinc/17/88/69/363178869.db2.gz FVULMIVWUCSLQG-HRDYMLBCSA-N 1 0 200.351 1.781 10 0 BDAERO Cc1nc(-c2cn[nH]c2)sc1[C@@H](C)[NH3+] ZINC000307353689 352299095 /nfs/dbraw/zinc/29/90/95/352299095.db2.gz PDLPKWRUDBSUIU-RXMQYKEDSA-N 1 0 208.290 1.861 10 0 BDAERO C[C@H](O)C[N@H+](C)[C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725270835 538102566 /nfs/dbraw/zinc/10/25/66/538102566.db2.gz FNBPTOOCOLONPU-VLJOUNFMSA-N 1 0 225.332 1.257 10 0 BDAERO CCCC[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336742309 352396397 /nfs/dbraw/zinc/39/63/97/352396397.db2.gz WSURDTIHYSBJPP-DCAQKATOSA-N 1 0 212.337 1.822 10 0 BDAERO Cc1ncccc1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000638600516 352433001 /nfs/dbraw/zinc/43/30/01/352433001.db2.gz AYHRXXRCAPMENZ-AWEZNQCLSA-N 1 0 247.342 1.538 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCC[C@H]1CC=CCC1 ZINC000638601318 352436244 /nfs/dbraw/zinc/43/62/44/352436244.db2.gz PMCMASKRYHINIP-RYUDHWBXSA-N 1 0 224.348 1.976 10 0 BDAERO CC[N@H+](CCO)[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271831 538103732 /nfs/dbraw/zinc/10/37/32/538103732.db2.gz UOBLHHVMWNNISF-RNJOBUHISA-N 1 0 225.332 1.258 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000638649592 352492107 /nfs/dbraw/zinc/49/21/07/352492107.db2.gz YLQCCBXNTWHJRB-DJRKXVOMSA-N 1 0 210.321 1.289 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC(F)(F)C[C@H]1C ZINC000638629339 352469722 /nfs/dbraw/zinc/46/97/22/352469722.db2.gz GSENAKJIYUAWIQ-HTQZYQBOSA-N 1 0 220.263 1.241 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC(F)(F)C[C@H]1C ZINC000638631961 352471971 /nfs/dbraw/zinc/47/19/71/352471971.db2.gz VDWWFIRJHRMTOF-RKDXNWHRSA-N 1 0 234.290 1.760 10 0 BDAERO CC[C@@H]1CN([C@@H](C)C(F)F)[C@@H](C)C[NH2+]1 ZINC000307375467 352473661 /nfs/dbraw/zinc/47/36/61/352473661.db2.gz ZLODYTPOIRVKNC-XHNCKOQMSA-N 1 0 206.280 1.712 10 0 BDAERO [NH3+][C@H]1CCN(Cc2coc(Br)c2)C1 ZINC000307377839 352477194 /nfs/dbraw/zinc/47/71/94/352477194.db2.gz XHPOPUHNRARZQT-QMMMGPOBSA-N 1 0 245.120 1.575 10 0 BDAERO Cn1ccnc1S[C@@H]1CCC[C@H]1C[NH3+] ZINC000035722652 180754036 /nfs/dbraw/zinc/75/40/36/180754036.db2.gz CIJIFUKDUDQHPZ-DTWKUNHWSA-N 1 0 211.334 1.640 10 0 BDAERO C[C@]1(NC(=[NH2+])NCc2ccccc2)CCCOC1 ZINC000307420833 352590689 /nfs/dbraw/zinc/59/06/89/352590689.db2.gz HOAXQYUPMIDOIR-AWEZNQCLSA-N 1 0 247.342 1.870 10 0 BDAERO C[C@@H]1[NH+]=C(N[C@@H]2CCOC2)S[C@H]1C ZINC000307418725 352591417 /nfs/dbraw/zinc/59/14/17/352591417.db2.gz HDFMYZSLTGWWQS-BIIVOSGPSA-N 1 0 200.307 1.245 10 0 BDAERO CCNC(=[NH2+])N1CCSC[C@@H](C)C1 ZINC000307437042 352596274 /nfs/dbraw/zinc/59/62/74/352596274.db2.gz RSCZWIIRVJNWEF-QMMMGPOBSA-N 1 0 201.339 1.216 10 0 BDAERO CCN1CCC[C@H]([NH2+]C2CCN(C)CC2)C1 ZINC000040502063 352597681 /nfs/dbraw/zinc/59/76/81/352597681.db2.gz XSVUHTRNPLJQFV-ZDUSSCGKSA-N 1 0 225.380 1.155 10 0 BDAERO CC(C)[NH+](C(C)C)[C@@H]1CCOC[C@@H]1O ZINC000725273058 538104431 /nfs/dbraw/zinc/10/44/31/538104431.db2.gz PZOKYICHPZSFHX-MNOVXSKESA-N 1 0 201.310 1.255 10 0 BDAERO C[C@H](c1cscn1)N(C)[C@@H]1CC[NH2+]C1 ZINC000229146697 352606763 /nfs/dbraw/zinc/60/67/63/352606763.db2.gz IIJUKABKRNSKKF-RKDXNWHRSA-N 1 0 211.334 1.498 10 0 BDAERO CC1(C)CS[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000307466497 352615814 /nfs/dbraw/zinc/61/58/14/352615814.db2.gz JXSJNNMOWLSXOB-JTQLQIEISA-N 1 0 201.335 1.997 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1[C@H]1CCS[C@H]1C ZINC000300353324 352559667 /nfs/dbraw/zinc/55/96/67/352559667.db2.gz WJHLQBSDOBGOST-DCAQKATOSA-N 1 0 214.378 1.564 10 0 BDAERO CC(C)(C)n1nnc2c1CC[C@H](C[NH3+])C2 ZINC000498036372 352570082 /nfs/dbraw/zinc/57/00/82/352570082.db2.gz FEPGYKIENPVKQO-QMMMGPOBSA-N 1 0 208.309 1.097 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC1(C(F)F)CC1 ZINC000638726613 352584467 /nfs/dbraw/zinc/58/44/67/352584467.db2.gz VCBWRBQBMBPQHG-JGVFFNPUSA-N 1 0 232.274 1.275 10 0 BDAERO [NH3+][C@H]1CC[C@H](Cn2cc(Br)cn2)C1 ZINC000307535681 352641158 /nfs/dbraw/zinc/64/11/58/352641158.db2.gz OYGWKCMLOTUGKT-CBAPKCEASA-N 1 0 244.136 1.773 10 0 BDAERO C[C@@H]1C[NH+]=C(N2CCSC[C@@H](C)C2)N1 ZINC000307540558 352644398 /nfs/dbraw/zinc/64/43/98/352644398.db2.gz WHYNPRIIAIKJPS-DTWKUNHWSA-N 1 0 213.350 1.019 10 0 BDAERO Cc1csc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000307549535 352647509 /nfs/dbraw/zinc/64/75/09/352647509.db2.gz PSQVLIWESJGDKR-CBAPKCEASA-N 1 0 211.334 1.861 10 0 BDAERO C[C@H]1C[NH2+][C@]2(CCOC2(C)C)SC1 ZINC000307574106 352658328 /nfs/dbraw/zinc/65/83/28/352658328.db2.gz GUCRBSPYMSMIPY-WCBMZHEXSA-N 1 0 201.335 1.854 10 0 BDAERO Fc1ccc(Cl)c2c1C[NH2+]CCO2 ZINC000307594335 352664658 /nfs/dbraw/zinc/66/46/58/352664658.db2.gz KBIHZMXUDDMYAM-UHFFFAOYSA-N 1 0 201.628 1.961 10 0 BDAERO CC[N@@H+]1CC[C@@]2(C1)NC[C@@H](C)CS2 ZINC000307599699 352666287 /nfs/dbraw/zinc/66/62/87/352666287.db2.gz RJGPOSLIGCPNKZ-NXEZZACHSA-N 1 0 200.351 1.381 10 0 BDAERO C[C@]1([C@H]2CC[NH2+][C@@H]2CO)CCCS1 ZINC000307609048 352669059 /nfs/dbraw/zinc/66/90/59/352669059.db2.gz HJVCQAAINFABLF-IVZWLZJFSA-N 1 0 201.335 1.243 10 0 BDAERO Cc1cn(Cc2ccsc2)nc1C[NH3+] ZINC000307521460 352635323 /nfs/dbraw/zinc/63/53/23/352635323.db2.gz VICCEGPSSPFJHH-UHFFFAOYSA-N 1 0 207.302 1.760 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCC3(CC3)CC2)C1 ZINC000638755674 352689465 /nfs/dbraw/zinc/68/94/65/352689465.db2.gz DLDXFZMEOFQTME-NEPJUHHUSA-N 1 0 236.359 1.907 10 0 BDAERO Cc1cc(O)cc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000638756072 352690149 /nfs/dbraw/zinc/69/01/49/352690149.db2.gz DSLZCYSHPHXSDB-VIFPVBQESA-N 1 0 220.272 1.249 10 0 BDAERO CCC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1CC ZINC000253157166 538105086 /nfs/dbraw/zinc/10/50/86/538105086.db2.gz PSRTXDZIWWHDGK-GHMZBOCLSA-N 1 0 248.392 1.046 10 0 BDAERO c1nnsc1CNC1=[NH+]CCCS1 ZINC000307662259 352748362 /nfs/dbraw/zinc/74/83/62/352748362.db2.gz HISWYCTWNBSOKS-UHFFFAOYSA-N 1 0 214.319 1.121 10 0 BDAERO CC(C)[C@H]1C[N@H+](CC2(O)CCC2)CCCO1 ZINC000334256832 352867408 /nfs/dbraw/zinc/86/74/08/352867408.db2.gz POLGIVGTCSYVSL-GFCCVEGCSA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)CC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000308882629 538105723 /nfs/dbraw/zinc/10/57/23/538105723.db2.gz VZHULEBQSFWZTR-LLVKDONJSA-N 1 0 212.337 1.538 10 0 BDAERO CC(C)[C@H](C)[N@H+](C)CC1(O)CCOCC1 ZINC000319004094 538106050 /nfs/dbraw/zinc/10/60/50/538106050.db2.gz NOVUOMVDTXBXFC-NSHDSACASA-N 1 0 215.337 1.504 10 0 BDAERO [NH3+]Cc1cccc2c1CN(C(=O)C(F)(F)F)C2 ZINC000405093036 352980821 /nfs/dbraw/zinc/98/08/21/352980821.db2.gz XIXWEELBPVMSBS-UHFFFAOYSA-N 1 0 244.216 1.550 10 0 BDAERO C[C@@H]([NH3+])c1cnc(-c2csnn2)s1 ZINC000307693135 352962213 /nfs/dbraw/zinc/96/22/13/352962213.db2.gz VZENXLMWVWKWII-SCSAIBSYSA-N 1 0 212.303 1.681 10 0 BDAERO COC[C@@]1(C(=O)N(C)[C@@H](C)C2CC2)CCC[NH2+]1 ZINC000638853897 353024921 /nfs/dbraw/zinc/02/49/21/353024921.db2.gz QYAUQDBYKWPYNK-GXFFZTMASA-N 1 0 240.347 1.012 10 0 BDAERO CC1(Nc2ncccc2Br)C[NH2+]C1 ZINC000306563500 353025654 /nfs/dbraw/zinc/02/56/54/353025654.db2.gz DEYXWNPHOXOBNJ-UHFFFAOYSA-N 1 0 242.120 1.618 10 0 BDAERO CN(C)c1ncc(Br)cc1C(N)=[NH2+] ZINC000306574180 353026485 /nfs/dbraw/zinc/02/64/85/353026485.db2.gz IBBBEKVVSWXKIB-UHFFFAOYSA-N 1 0 243.108 1.194 10 0 BDAERO Cc1nnc(SC[C@@H]2CC[C@H]([NH3+])C2)o1 ZINC000306621746 353030310 /nfs/dbraw/zinc/03/03/10/353030310.db2.gz ZTIBXWIEQWEMTI-SFYZADRCSA-N 1 0 213.306 1.598 10 0 BDAERO CC[C@@](C)(NC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000638858782 353035622 /nfs/dbraw/zinc/03/56/22/353035622.db2.gz VSDWYLPNQPMSLL-GXFFZTMASA-N 1 0 224.348 1.681 10 0 BDAERO [NH3+][C@]1(c2ncc(Cl)cc2Cl)CCOC1 ZINC000306317013 353003587 /nfs/dbraw/zinc/00/35/87/353003587.db2.gz SFFDURBPQUXQNQ-SECBINFHSA-N 1 0 233.098 1.963 10 0 BDAERO C[NH2+]Cc1cnc2c(Br)cnn2c1 ZINC000306372296 353007502 /nfs/dbraw/zinc/00/75/02/353007502.db2.gz NKGLDQYCTOIRGO-UHFFFAOYSA-N 1 0 241.092 1.211 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCC12CC2 ZINC000638834229 353009808 /nfs/dbraw/zinc/00/98/08/353009808.db2.gz NLPNZLUBIWOFSL-TUAOUCFPSA-N 1 0 236.359 1.810 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@H]2CCCC23CC3)CC1 ZINC000638831159 353011512 /nfs/dbraw/zinc/01/15/12/353011512.db2.gz JFELEKWJYXRHQH-MCIGGMRASA-N 1 0 236.359 1.953 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCC12CC2 ZINC000638831775 353012198 /nfs/dbraw/zinc/01/21/98/353012198.db2.gz BHRASUUXHGIPKP-NWDGAFQWSA-N 1 0 236.359 1.825 10 0 BDAERO CC1CC(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000638915564 353074609 /nfs/dbraw/zinc/07/46/09/353074609.db2.gz QDAWOKHDTYZCBV-DJRKXVOMSA-N 1 0 210.321 1.086 10 0 BDAERO CC1CC(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000638915566 353074809 /nfs/dbraw/zinc/07/48/09/353074809.db2.gz QDAWOKHDTYZCBV-VGRIYTJTSA-N 1 0 210.321 1.086 10 0 BDAERO N[C@@H](CC[NH3+])c1c(F)ccc(F)c1F ZINC000306873735 353043390 /nfs/dbraw/zinc/04/33/90/353043390.db2.gz YGBWVVALKKGNSA-ZETCQYMHSA-N 1 0 204.195 1.453 10 0 BDAERO [NH3+][C@H]1CC[C@@](F)(Cc2cnsn2)C1 ZINC000306969052 353047409 /nfs/dbraw/zinc/04/74/09/353047409.db2.gz PASNKNWUZYHAJH-XPUUQOCRSA-N 1 0 201.270 1.300 10 0 BDAERO C[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1C[NH3+] ZINC000638888314 353049993 /nfs/dbraw/zinc/04/99/93/353049993.db2.gz XKPYWQFEHIEZJO-ZYHUDNBSSA-N 1 0 224.348 1.620 10 0 BDAERO Cc1ccsc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638885987 353052692 /nfs/dbraw/zinc/05/26/92/353052692.db2.gz PWEUYABJNYUWFO-NXEZZACHSA-N 1 0 238.356 1.723 10 0 BDAERO Cc1ccsc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638885989 353052795 /nfs/dbraw/zinc/05/27/95/353052795.db2.gz PWEUYABJNYUWFO-VHSXEESVSA-N 1 0 238.356 1.723 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c(C)n1 ZINC000638889555 353057824 /nfs/dbraw/zinc/05/78/24/353057824.db2.gz BXQRZUHTWAXEFL-SKDRFNHKSA-N 1 0 247.342 1.365 10 0 BDAERO C[C@@H]1C[C@]2([NH2+]CC[C@H](C)S2)[C@H](C)O1 ZINC000307719800 353108657 /nfs/dbraw/zinc/10/86/57/353108657.db2.gz NTXSLEMYLAWSTA-XFWSIPNHSA-N 1 0 201.335 1.995 10 0 BDAERO Cc1nc([C@@]2(O)CCC[C@@H]([NH3+])C2)cs1 ZINC000307718493 353108948 /nfs/dbraw/zinc/10/89/48/353108948.db2.gz LJLJOHVBSGPKRN-PSASIEDQSA-N 1 0 212.318 1.540 10 0 BDAERO CC(C)NC(=[NH2+])N[C@H]1CS[C@H](C)C1 ZINC000307722516 353110970 /nfs/dbraw/zinc/11/09/70/353110970.db2.gz YOLUUSKIPKITBG-HTQZYQBOSA-N 1 0 201.339 1.403 10 0 BDAERO COc1nc(C2(F)CC([NH3+])C2)cs1 ZINC000307727919 353115427 /nfs/dbraw/zinc/11/54/27/353115427.db2.gz FNPLAPIXLUCFCM-UHFFFAOYSA-N 1 0 202.254 1.438 10 0 BDAERO CSc1ncc(Br)cc1C(N)=[NH2+] ZINC000307503355 353079891 /nfs/dbraw/zinc/07/98/91/353079891.db2.gz OEWPTHYLQMYGKB-UHFFFAOYSA-N 1 0 246.133 1.850 10 0 BDAERO CC(C)[C@H](C)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638917269 353081165 /nfs/dbraw/zinc/08/11/65/353081165.db2.gz USDPJPCCHRGJFS-DCAQKATOSA-N 1 0 212.337 1.332 10 0 BDAERO O[C@@]1(Cc2csc(Cl)c2)CC[NH2+]C1 ZINC000307619552 353087992 /nfs/dbraw/zinc/08/79/92/353087992.db2.gz YHMSSCPXWBHNIN-SECBINFHSA-N 1 0 217.721 1.668 10 0 BDAERO CCn1nccc1[C@H]1C[NH2+]CC12CCC2 ZINC000536951309 323956281 /nfs/dbraw/zinc/95/62/81/323956281.db2.gz PUMGSAABTZATTD-SNVBAGLBSA-N 1 0 205.305 1.760 10 0 BDAERO C[C@H]([NH3+])C[C@H](C)Nc1ccnc2cccnc21 ZINC000379099225 353132530 /nfs/dbraw/zinc/13/25/30/353132530.db2.gz DNMSDHFPSNYSQS-UWVGGRQHSA-N 1 0 230.315 1.589 10 0 BDAERO [NH3+][C@@H]1CC(=O)N(c2ccsc2Cl)C1 ZINC000307737046 353120540 /nfs/dbraw/zinc/12/05/40/353120540.db2.gz UBLCBMXHZFUVGD-RXMQYKEDSA-N 1 0 216.693 1.466 10 0 BDAERO CC(C)(C)OC(=O)C1(C[NH3+])CC2(CC2)C1 ZINC000536960780 323974173 /nfs/dbraw/zinc/97/41/73/323974173.db2.gz YEPTYDQBOPXPII-UHFFFAOYSA-N 1 0 211.305 1.847 10 0 BDAERO [NH3+][C@H](C1=COCCC1)[C@H]1CSCCS1 ZINC000160127936 353145393 /nfs/dbraw/zinc/14/53/93/353145393.db2.gz AZJGWBDZFKHRER-NXEZZACHSA-N 1 0 231.386 1.857 10 0 BDAERO [NH3+][C@H](C1=COCCC1)[C@@H]1CSCCO1 ZINC000160129166 353145456 /nfs/dbraw/zinc/14/54/56/353145456.db2.gz GNUPXXMFXKETFB-VHSXEESVSA-N 1 0 215.318 1.140 10 0 BDAERO NC(=S)[C@H]1CCC[N@@H+]1[C@@H]1CCSC1 ZINC000405225448 353146238 /nfs/dbraw/zinc/14/62/38/353146238.db2.gz CWKKMBDVCVUHME-HTQZYQBOSA-N 1 0 216.375 1.242 10 0 BDAERO CC(C)(C)[S@](=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218752466 353152057 /nfs/dbraw/zinc/15/20/57/353152057.db2.gz NYTFHJLDEDXFFP-JRKPZEMJSA-N 1 0 203.351 1.804 10 0 BDAERO CC(C)(O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000375770617 188078146 /nfs/dbraw/zinc/07/81/46/188078146.db2.gz GWFYGWGWEHDTPH-UHFFFAOYSA-N 1 0 223.320 1.360 10 0 BDAERO Cn1ccnc1CC1CC[NH+](CCCO)CC1 ZINC000105918363 188081449 /nfs/dbraw/zinc/08/14/49/188081449.db2.gz WWDZAHOBTQSZCT-UHFFFAOYSA-N 1 0 237.347 1.057 10 0 BDAERO OCC[C@@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000128023477 188084918 /nfs/dbraw/zinc/08/49/18/188084918.db2.gz SBKZJASCIXVSQA-ZDUSSCGKSA-N 1 0 225.332 1.570 10 0 BDAERO CCc1nc(CC[NH2+]C[C@H]2C[C@H]2C)no1 ZINC000336760214 353171412 /nfs/dbraw/zinc/17/14/12/353171412.db2.gz LPKQWLPQEYDWGO-RKDXNWHRSA-N 1 0 209.293 1.420 10 0 BDAERO CC(=O)Nc1cccc([C@H]2C[C@@H]2C[NH3+])c1 ZINC000034893641 188100182 /nfs/dbraw/zinc/10/01/82/188100182.db2.gz NZNKGTYVXKIPDI-ZYHUDNBSSA-N 1 0 204.273 1.707 10 0 BDAERO COc1ccc([C@H]([NH3+])c2cnccn2)cc1OC ZINC000011831967 188105004 /nfs/dbraw/zinc/10/50/04/188105004.db2.gz MUWCJDFMCJOCFL-ZDUSSCGKSA-N 1 0 245.282 1.542 10 0 BDAERO C[C@H]([NH2+][C@@]1(C)CCS(=O)(=O)C1)C1(C)CC1 ZINC000036944807 188105329 /nfs/dbraw/zinc/10/53/29/188105329.db2.gz YRINQLMQDUBUKY-ONGXEEELSA-N 1 0 231.361 1.342 10 0 BDAERO CC(C)[C@@H]([NH3+])c1c(Br)nnn1C ZINC000232684577 353167549 /nfs/dbraw/zinc/16/75/49/353167549.db2.gz SVAIWQIWKWCOFJ-RXMQYKEDSA-N 1 0 233.113 1.233 10 0 BDAERO COc1ccc(CN(C)C(C)(C)C[NH3+])cc1 ZINC000020226825 188108568 /nfs/dbraw/zinc/10/85/68/188108568.db2.gz VJEYDHLGLFJYLI-UHFFFAOYSA-N 1 0 222.332 1.864 10 0 BDAERO CC(C)(C)O[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000020510928 188108619 /nfs/dbraw/zinc/10/86/19/188108619.db2.gz BRTHSRPEJUQQQP-NXEZZACHSA-N 1 0 229.320 1.424 10 0 BDAERO Cc1ccc(NC(=[NH2+])N2CCOCC2)cc1 ZINC000039040166 188110072 /nfs/dbraw/zinc/11/00/72/188110072.db2.gz AXDXYTFJTGUPLH-UHFFFAOYSA-N 1 0 219.288 1.674 10 0 BDAERO Cc1cc(C)c2c(c1)[C@H]([NH3+])C[C@H](C)S2(=O)=O ZINC000035752173 188112815 /nfs/dbraw/zinc/11/28/15/188112815.db2.gz RNFFHFVEWHYFIL-GXSJLCMTSA-N 1 0 239.340 1.869 10 0 BDAERO CC(C)[C@@]1(c2cccs2)C[C@@]1(C[NH3+])CO ZINC000070501047 188113114 /nfs/dbraw/zinc/11/31/14/188113114.db2.gz QWJRVYGFBKGRIJ-VXGBXAGGSA-N 1 0 225.357 1.983 10 0 BDAERO Cn1nnnc1S[C@H]1CCCCC[C@H]1C[NH3+] ZINC000035722741 180877244 /nfs/dbraw/zinc/87/72/44/180877244.db2.gz AXSZBPKSUDMGCL-IUCAKERBSA-N 1 0 241.364 1.210 10 0 BDAERO CC(=O)NCC[NH2+]Cc1nc2ccccc2s1 ZINC000037977710 188115629 /nfs/dbraw/zinc/11/56/29/188115629.db2.gz XMSMZQNZKDKXDB-UHFFFAOYSA-N 1 0 249.339 1.522 10 0 BDAERO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045747 188116670 /nfs/dbraw/zinc/11/66/70/188116670.db2.gz ZVERSQNCJUDFDV-NWDGAFQWSA-N 1 0 242.363 1.163 10 0 BDAERO Cc1cc(N[C@@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000040673345 188118458 /nfs/dbraw/zinc/11/84/58/188118458.db2.gz LXFDXUIKEZCARK-LLVKDONJSA-N 1 0 220.320 1.600 10 0 BDAERO CC(C)C[C@@](C)(C[NH3+])N1CCOCC1(C)C ZINC000042461547 188119544 /nfs/dbraw/zinc/11/95/44/188119544.db2.gz SPBGTQAQFWYSKP-ZDUSSCGKSA-N 1 0 228.380 1.861 10 0 BDAERO [NH3+][C@H]1CC[C@H](O[C@@H]2CCSC2)CC1 ZINC000405324864 353188460 /nfs/dbraw/zinc/18/84/60/353188460.db2.gz WOVJJNNXVCTLPJ-OPRDCNLKSA-N 1 0 201.335 1.778 10 0 BDAERO CC(C)N(CCCO)c1ccc(C(N)=[NH2+])cc1 ZINC000042507759 188120296 /nfs/dbraw/zinc/12/02/96/188120296.db2.gz OVUGSLJFWIZJLM-UHFFFAOYSA-N 1 0 235.331 1.568 10 0 BDAERO Cc1cnc(S[C@@H]2CCC[NH2+]C2)nc1 ZINC000043501769 188121414 /nfs/dbraw/zinc/12/14/14/188121414.db2.gz UAMIWPGKANLBHP-SECBINFHSA-N 1 0 209.318 1.629 10 0 BDAERO C/C=C/COc1cc2c(cc1CC[NH3+])OCO2 ZINC000042877614 188121716 /nfs/dbraw/zinc/12/17/16/188121716.db2.gz ZBGQMMIILMCGDH-NSCUHMNNSA-N 1 0 235.283 1.871 10 0 BDAERO CSc1nccc(N(C)C[C@@H]2CCC[NH2+]2)n1 ZINC000095071835 188145889 /nfs/dbraw/zinc/14/58/89/188145889.db2.gz PVWWEKDRLUWNMS-VIFPVBQESA-N 1 0 238.360 1.387 10 0 BDAERO Cc1cc(N(C)C[C@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000095071201 188145108 /nfs/dbraw/zinc/14/51/08/188145108.db2.gz XONBBROTNSQCRU-VIFPVBQESA-N 1 0 240.738 1.484 10 0 BDAERO Cc1c([C@@H](C)[NH3+])cnn1-c1cc(C)ccn1 ZINC000043671336 188123243 /nfs/dbraw/zinc/12/32/43/188123243.db2.gz PXRWDTFXUWNUKL-SECBINFHSA-N 1 0 216.288 1.904 10 0 BDAERO CC1(C)C[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000045115214 188123379 /nfs/dbraw/zinc/12/33/79/188123379.db2.gz PMBSPGVVKUMOFX-LLVKDONJSA-N 1 0 218.300 1.674 10 0 BDAERO C[N@@H+]1CCC[C@@H](CNc2ccc(N)nc2)C1 ZINC000044535361 188123521 /nfs/dbraw/zinc/12/35/21/188123521.db2.gz DOFQWAAFSHPQCA-JTQLQIEISA-N 1 0 220.320 1.418 10 0 BDAERO CC1(C)C[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000045115218 188123692 /nfs/dbraw/zinc/12/36/92/188123692.db2.gz QAJPHUBOFBAIFF-LLVKDONJSA-N 1 0 218.300 1.674 10 0 BDAERO CC1(C)C[C@@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000045136458 188123876 /nfs/dbraw/zinc/12/38/76/188123876.db2.gz NLTUDJZQMAVLOP-WDEREUQCSA-N 1 0 218.300 1.601 10 0 BDAERO COc1ccc([C@@H]([NH3+])[C@@H]2CCOC2)cc1F ZINC000048623345 188124828 /nfs/dbraw/zinc/12/48/28/188124828.db2.gz DVZSHYPIRRWGNZ-BXKDBHETSA-N 1 0 225.263 1.871 10 0 BDAERO CC(C)N(C[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000095088181 188145647 /nfs/dbraw/zinc/14/56/47/188145647.db2.gz YGYDUTIXWNMDJJ-MRVPVSSYSA-N 1 0 210.243 1.969 10 0 BDAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccccn1 ZINC000068697681 188129002 /nfs/dbraw/zinc/12/90/02/188129002.db2.gz HBEQWEWXGDMORJ-JSGCOSHPSA-N 1 0 233.359 1.900 10 0 BDAERO CC(C)[C@@H]1CN(Cc2ccccn2)[C@H](C)C[NH2+]1 ZINC000068694828 188129376 /nfs/dbraw/zinc/12/93/76/188129376.db2.gz MLKCVWGFJSCQBZ-OCCSQVGLSA-N 1 0 233.359 1.900 10 0 BDAERO COCCn1cnnc1[C@H](C)[NH2+]C1CCCC1 ZINC000065507549 188129570 /nfs/dbraw/zinc/12/95/70/188129570.db2.gz RVOZYHIXZKRGCH-JTQLQIEISA-N 1 0 238.335 1.518 10 0 BDAERO CCc1ccc(O[C@@H](C[NH3+])C(=O)OC)cc1 ZINC000077335393 188135461 /nfs/dbraw/zinc/13/54/61/188135461.db2.gz UQSPDCOTBAITEV-NSHDSACASA-N 1 0 223.272 1.128 10 0 BDAERO Cc1ccc(OCCc2nnc(CC[NH3+])[nH]2)cc1 ZINC000077402175 188136373 /nfs/dbraw/zinc/13/63/73/188136373.db2.gz KJGPSENZZIKYRY-UHFFFAOYSA-N 1 0 246.314 1.236 10 0 BDAERO FC(F)(F)c1noc([C@H]2CCC[NH2+]2)n1 ZINC000082933468 188140044 /nfs/dbraw/zinc/14/00/44/188140044.db2.gz KULVKVUOFQVCES-SCSAIBSYSA-N 1 0 207.155 1.513 10 0 BDAERO CC(C)[C@@H]1CN(C[C@@H]2CCCO2)[C@H](C)C[NH2+]1 ZINC000082926535 188140470 /nfs/dbraw/zinc/14/04/70/188140470.db2.gz RPNPDJOUHGYIGK-AGIUHOORSA-N 1 0 226.364 1.484 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCc1ccc(F)cc1 ZINC000083366121 188141859 /nfs/dbraw/zinc/14/18/59/188141859.db2.gz ICWDBNMHHLGHCM-NSHDSACASA-N 1 0 238.306 1.815 10 0 BDAERO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(O)cc1 ZINC000083361470 188141889 /nfs/dbraw/zinc/14/18/89/188141889.db2.gz GDMHCWJCLFDAPX-AWEZNQCLSA-N 1 0 234.343 1.822 10 0 BDAERO CCOCCC1(CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237041638 188152250 /nfs/dbraw/zinc/15/22/50/188152250.db2.gz WJWMLIADVJGWNP-LLVKDONJSA-N 1 0 240.347 1.061 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H](n2ncc(Cl)c2N)C1 ZINC000045658292 188152259 /nfs/dbraw/zinc/15/22/59/188152259.db2.gz KCGVCTMPKKTREY-MRVPVSSYSA-N 1 0 228.727 1.774 10 0 BDAERO Cc1cc(N)c[nH+]c1NCc1cc[nH]n1 ZINC000052812958 188158398 /nfs/dbraw/zinc/15/83/98/188158398.db2.gz QGCYGSGDVZEOKM-UHFFFAOYSA-N 1 0 203.249 1.307 10 0 BDAERO C[NH2+]Cc1ccc(-n2ccc(C)n2)nc1 ZINC000052885162 188158756 /nfs/dbraw/zinc/15/87/56/188158756.db2.gz FGPVEVZAMGQAQA-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000300859069 188160297 /nfs/dbraw/zinc/16/02/97/188160297.db2.gz IQKTVBQRWXGXIU-VXGBXAGGSA-N 1 0 215.337 1.240 10 0 BDAERO CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000300859059 188160779 /nfs/dbraw/zinc/16/07/79/188160779.db2.gz IQKTVBQRWXGXIU-NEPJUHHUSA-N 1 0 215.337 1.240 10 0 BDAERO CCCC[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000308844795 188164706 /nfs/dbraw/zinc/16/47/06/188164706.db2.gz OVCFSXHMTALPTR-AXFHLTTASA-N 1 0 212.337 1.761 10 0 BDAERO Cc1cc(N[C@@H](C)CCCC[NH3+])ncn1 ZINC000308834879 188165262 /nfs/dbraw/zinc/16/52/62/188165262.db2.gz KVKHEROOTUNLLP-VIFPVBQESA-N 1 0 208.309 1.714 10 0 BDAERO CC(C)(C)[C@H]([NH3+])Cn1cc(Cl)cn1 ZINC000040544002 188165392 /nfs/dbraw/zinc/16/53/92/188165392.db2.gz DFXFRIYUNRTUTP-MRVPVSSYSA-N 1 0 201.701 1.910 10 0 BDAERO Cc1cc(Cl)cc(NC(=O)[C@@H](C)[NH3+])c1O ZINC000182201898 188168104 /nfs/dbraw/zinc/16/81/04/188168104.db2.gz QGILTMKZMXDLPK-ZCFIWIBFSA-N 1 0 228.679 1.640 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000309823337 188169531 /nfs/dbraw/zinc/16/95/31/188169531.db2.gz WVCKWFKUTASCGD-QJPTWQEYSA-N 1 0 222.332 1.552 10 0 BDAERO c1nc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CCC=CO1 ZINC000191104646 188172738 /nfs/dbraw/zinc/17/27/38/188172738.db2.gz CHTSUZPWRLXIPH-GHMZBOCLSA-N 1 0 234.303 1.395 10 0 BDAERO Cc1cccc(C)c1NC(=O)C(C)(C)[NH3+] ZINC000019672538 188173057 /nfs/dbraw/zinc/17/30/57/188173057.db2.gz ASDUKRAQOZUSNC-UHFFFAOYSA-N 1 0 206.289 1.979 10 0 BDAERO CC(C)C[C@@H](C)[NH2+]CCN1CCOCC1 ZINC000019954234 188173848 /nfs/dbraw/zinc/17/38/48/188173848.db2.gz DXUUNCBBGWDXEI-GFCCVEGCSA-N 1 0 214.353 1.343 10 0 BDAERO CN(C)c1ccnc(C[NH3+])c1OC1CC1 ZINC000095724608 188147235 /nfs/dbraw/zinc/14/72/35/188147235.db2.gz BIIGSJQCDRMJGA-UHFFFAOYSA-N 1 0 207.277 1.148 10 0 BDAERO CC(=O)[C@@H](C[NH3+])Cc1ccc2c(c1)CCO2 ZINC000098096039 188148707 /nfs/dbraw/zinc/14/87/07/188148707.db2.gz VTCKTFCPRAEQJW-GFCCVEGCSA-N 1 0 219.284 1.328 10 0 BDAERO COc1ccc(C)cc1C[C@@H]([NH3+])c1cn(C)cn1 ZINC000096984322 188148880 /nfs/dbraw/zinc/14/88/80/188148880.db2.gz WPUYNRJWIWMZEE-GFCCVEGCSA-N 1 0 245.326 1.980 10 0 BDAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000134548288 538112861 /nfs/dbraw/zinc/11/28/61/538112861.db2.gz MUYXIUVXCXNVQV-PEXQALLHSA-N 1 0 223.320 1.936 10 0 BDAERO CC(C)COCCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111263930 188176398 /nfs/dbraw/zinc/17/63/98/188176398.db2.gz VUGHGEIJJUTYKJ-NWDGAFQWSA-N 1 0 242.363 1.021 10 0 BDAERO CC(C)N(C)CC[NH2+]CC1CCOCC1 ZINC000054111442 188176730 /nfs/dbraw/zinc/17/67/30/188176730.db2.gz ZNOBPCHYUSTARA-UHFFFAOYSA-N 1 0 214.353 1.343 10 0 BDAERO CC(C)C[C@H]1C[NH2+]CCN1CC(F)(F)F ZINC000062611460 188184642 /nfs/dbraw/zinc/18/46/42/188184642.db2.gz OFRJDQKGKHHSBE-VIFPVBQESA-N 1 0 224.270 1.869 10 0 BDAERO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)C1CC1)C2 ZINC000165283280 353280102 /nfs/dbraw/zinc/28/01/02/353280102.db2.gz RQBHOOBQDGFPQT-PWSUYJOCSA-N 1 0 219.332 1.894 10 0 BDAERO Fc1ccc(NC2=[NH+]CCN2)cc1Cl ZINC000165729634 538114253 /nfs/dbraw/zinc/11/42/53/538114253.db2.gz TVOMVESJWMRWPR-UHFFFAOYSA-N 1 0 213.643 1.850 10 0 BDAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCN1CCC1 ZINC000336727529 180935823 /nfs/dbraw/zinc/93/58/23/180935823.db2.gz HIZWGVFVKVZVQA-NWDGAFQWSA-N 1 0 214.328 1.810 10 0 BDAERO CCC[C@H](C[NH3+])[C@H](O)C1(SC)CC1 ZINC000308189916 538115505 /nfs/dbraw/zinc/11/55/05/538115505.db2.gz MVYXCNCUFVHUDN-BDAKNGLRSA-N 1 0 203.351 1.618 10 0 BDAERO CCn1cncc1C[NH2+]CC[C@@H]1CCCO1 ZINC000085183674 538115828 /nfs/dbraw/zinc/11/58/28/538115828.db2.gz RCDKLJRSSIDTQB-LBPRGKRZSA-N 1 0 223.320 1.562 10 0 BDAERO c1n[nH]nc1CN[C@@H]1CCc2ccccc21 ZINC000398355310 363224293 /nfs/dbraw/zinc/22/42/93/363224293.db2.gz VDHYEHQOIFLRRV-GFCCVEGCSA-N 1 0 214.272 1.582 10 0 BDAERO COCc1nc(C[NH2+]CC(C)(C)O)cs1 ZINC000164539093 353410369 /nfs/dbraw/zinc/41/03/69/353410369.db2.gz STRUYCZVICMTNW-UHFFFAOYSA-N 1 0 230.333 1.150 10 0 BDAERO CN1CCO[C@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000334511189 353494476 /nfs/dbraw/zinc/49/44/76/353494476.db2.gz KHEFKFKVGFBFJF-GFCCVEGCSA-N 1 0 224.348 1.239 10 0 BDAERO CC[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(N)=O ZINC000192353362 353547881 /nfs/dbraw/zinc/54/78/81/353547881.db2.gz PFGWXBOCXKVISI-NEPJUHHUSA-N 1 0 248.326 1.623 10 0 BDAERO CN(CC(F)(F)F)[C@H]1CCCC[C@H]1[NH3+] ZINC000252439198 363248835 /nfs/dbraw/zinc/24/88/35/363248835.db2.gz LRUDURRJVIEBAT-SFYZADRCSA-N 1 0 210.243 1.750 10 0 BDAERO C[C@@H](C[NH2+]CCC[N@@H+]1CCCC[C@H]1C)C(=O)[O-] ZINC000252448135 363255579 /nfs/dbraw/zinc/25/55/79/363255579.db2.gz SJOZVHGQGQRPRO-NWDGAFQWSA-N 1 0 242.363 1.561 10 0 BDAERO Fc1cnc(S[C@@H]2CCC[NH2+]C2)nc1 ZINC000095072047 181019181 /nfs/dbraw/zinc/01/91/81/181019181.db2.gz MWZWDIIYJDIETK-MRVPVSSYSA-N 1 0 213.281 1.460 10 0 BDAERO CCC[C@@H](CC)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004624 491056089 /nfs/dbraw/zinc/05/60/89/491056089.db2.gz YWDWHZHRGQZOFI-OLZOCXBDSA-N 1 0 228.380 1.875 10 0 BDAERO CN1C(=O)N(C2CCCC2)[C@@H]2CC[NH2+]C[C@@H]21 ZINC000606303024 353858534 /nfs/dbraw/zinc/85/85/34/353858534.db2.gz DWMCMZVRKCMYAB-MNOVXSKESA-N 1 0 223.320 1.027 10 0 BDAERO C[C@H]1[C@H](Sc2ncns2)CC[C@@H]1[NH3+] ZINC000252476362 363334799 /nfs/dbraw/zinc/33/47/99/363334799.db2.gz YBHJKZMWUKFGRJ-DSYKOEDSSA-N 1 0 215.347 1.756 10 0 BDAERO CC(C)COCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000232671892 363378688 /nfs/dbraw/zinc/37/86/88/363378688.db2.gz HTMJVKJBBVVZFS-LBPRGKRZSA-N 1 0 215.337 1.363 10 0 BDAERO CCC(=O)CCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000232862096 363387348 /nfs/dbraw/zinc/38/73/48/363387348.db2.gz CRWZHAZHQVWXJA-NSHDSACASA-N 1 0 213.321 1.450 10 0 BDAERO CCc1ncnc(N[C@@H](C)CC[NH3+])c1F ZINC000234170927 363415984 /nfs/dbraw/zinc/41/59/84/363415984.db2.gz ANELZJHVAQKIDW-ZETCQYMHSA-N 1 0 212.272 1.327 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Cc1ccncc1 ZINC000226488381 363424020 /nfs/dbraw/zinc/42/40/20/363424020.db2.gz BTEXBFKNAMRXCI-QWRGUYRKSA-N 1 0 204.273 1.321 10 0 BDAERO CCOC[C@@H]([NH2+]C1CC[NH2+]CC1)C(C)C ZINC000233723999 363406206 /nfs/dbraw/zinc/40/62/06/363406206.db2.gz WVTJKRHWVXOCIZ-GFCCVEGCSA-N 1 0 214.353 1.389 10 0 BDAERO c1ccc2c(c1)OC[C@@H]2CN[C@@H]1CC[NH2+]C1 ZINC000335222521 355063207 /nfs/dbraw/zinc/06/32/07/355063207.db2.gz HACUTPUBSIVZHW-WDEREUQCSA-N 1 0 218.300 1.114 10 0 BDAERO C[C@@H](C[C@H]1COC(=[NH2+])N1)c1ccccc1 ZINC000083964293 355122116 /nfs/dbraw/zinc/12/21/16/355122116.db2.gz AGHKCLYLZRRYHN-ONGXEEELSA-N 1 0 204.273 1.894 10 0 BDAERO CC(C)c1nccnc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000413167281 191359670 /nfs/dbraw/zinc/35/96/70/191359670.db2.gz VGPRUPDIQMHWQK-VXGBXAGGSA-N 1 0 248.374 1.917 10 0 BDAERO NC(=[NH2+])CCN(c1ccccc1)c1ncccn1 ZINC000019478310 181186685 /nfs/dbraw/zinc/18/66/85/181186685.db2.gz VVBKLRSKXPLNFM-UHFFFAOYSA-N 1 0 241.298 1.941 10 0 BDAERO NC(=[NH2+])CCOc1c(F)cccc1F ZINC000075881261 181186689 /nfs/dbraw/zinc/18/66/89/181186689.db2.gz MZWJIVMIPZKYHA-UHFFFAOYSA-N 1 0 200.188 1.670 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@H](OC)C2CCCC2)C1 ZINC000639266641 355325989 /nfs/dbraw/zinc/32/59/89/355325989.db2.gz KVYFXPVOYOPTSL-KBPBESRZSA-N 1 0 240.391 1.875 10 0 BDAERO C[C@@]1([NH3+])CCN(C/C(Cl)=C\Cl)C1 ZINC000405832509 355329760 /nfs/dbraw/zinc/32/97/60/355329760.db2.gz UBCFRQIOTPKAEU-RXLGXGPVSA-N 1 0 209.120 1.729 10 0 BDAERO NC(=[NH2+])CCSc1nnnn1-c1ccccc1 ZINC000019863691 181187110 /nfs/dbraw/zinc/18/71/10/181187110.db2.gz IUSYPQRNSZLTAQ-UHFFFAOYSA-N 1 0 248.315 1.080 10 0 BDAERO NC(=[NH2+])CCSc1nc2ccccc2[nH]1 ZINC000019848191 181186666 /nfs/dbraw/zinc/18/66/66/181186666.db2.gz DFMUGPUOWVTGMV-UHFFFAOYSA-N 1 0 220.301 1.981 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000414679814 191544933 /nfs/dbraw/zinc/54/49/33/191544933.db2.gz XJIIJNCJYQUGGX-SECBINFHSA-N 1 0 249.314 1.619 10 0 BDAERO NC(=[NH2+])c1ccc(-n2cccn2)c(F)c1 ZINC000036887918 181193718 /nfs/dbraw/zinc/19/37/18/181193718.db2.gz CXWZOZBMPCZSHU-UHFFFAOYSA-N 1 0 204.208 1.295 10 0 BDAERO NC(=[NH2+])c1ccc2nc(CO)sc2c1 ZINC000075844622 181195142 /nfs/dbraw/zinc/19/51/42/181195142.db2.gz UDPFZNSOQIECGH-UHFFFAOYSA-N 1 0 207.258 1.073 10 0 BDAERO NC(=[NH2+])c1ccc(OCCc2ccccn2)nc1 ZINC000034958512 181195342 /nfs/dbraw/zinc/19/53/42/181195342.db2.gz MIEXPCGDVMOYLA-UHFFFAOYSA-N 1 0 242.282 1.382 10 0 BDAERO NC(=[NH2+])c1ccc2c(c1)NC(=O)CS2 ZINC000082594195 181195418 /nfs/dbraw/zinc/19/54/18/181195418.db2.gz XSEPWYSMDPOPTI-UHFFFAOYSA-N 1 0 207.258 1.015 10 0 BDAERO NC(=[NH2+])c1ccccc1Cn1ccnc1 ZINC000019487848 181196356 /nfs/dbraw/zinc/19/63/56/181196356.db2.gz WAZAZTVQOIKPGD-UHFFFAOYSA-N 1 0 200.245 1.215 10 0 BDAERO NC(=[NH2+])c1cccc(OCc2ccccn2)c1 ZINC000019509571 181196217 /nfs/dbraw/zinc/19/62/17/181196217.db2.gz ULOLKWFZMXANLY-UHFFFAOYSA-N 1 0 227.267 1.945 10 0 BDAERO [NH2+]=C(NC1CCCC1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000052046301 181197091 /nfs/dbraw/zinc/19/70/91/181197091.db2.gz PLIFBVHKGNAZLT-NWDGAFQWSA-N 1 0 237.347 1.707 10 0 BDAERO [NH2+]=C(N[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000062989189 181200238 /nfs/dbraw/zinc/20/02/38/181200238.db2.gz LSLFLPNCRHVRSO-CYBMUJFWSA-N 1 0 229.327 1.696 10 0 BDAERO C[C@@H]1C[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000389078711 355618463 /nfs/dbraw/zinc/61/84/63/355618463.db2.gz YIBUECNLVANENS-NTZNESFSSA-N 1 0 240.347 1.060 10 0 BDAERO C[NH2+][C@H](C)C(=O)c1cc(Cl)cnc1N ZINC000169074647 358498863 /nfs/dbraw/zinc/49/88/63/358498863.db2.gz SWDFZNVOABGTCW-RXMQYKEDSA-N 1 0 213.668 1.108 10 0 BDAERO NC(=O)[C@@]1(O)CCC[N@H+](CC2CCCC2)C1 ZINC000334347265 181205146 /nfs/dbraw/zinc/20/51/46/181205146.db2.gz RDYQWMYABSXILK-GFCCVEGCSA-N 1 0 226.320 1.539 10 0 BDAERO COCC1(C[NH2+]C2CC(CO)C2)CCC1 ZINC000639335489 355766766 /nfs/dbraw/zinc/76/67/66/355766766.db2.gz RZXJEQBTZYRVJD-UHFFFAOYSA-N 1 0 213.321 1.164 10 0 BDAERO COc1ncc(C[NH2+]C2CC(CO)C2)s1 ZINC000639335157 355767591 /nfs/dbraw/zinc/76/75/91/355767591.db2.gz NCEWJNQJDLNQNU-UHFFFAOYSA-N 1 0 228.317 1.012 10 0 BDAERO Cc1ccoc1CNC1CC[NH+](CCO)CC1 ZINC000399159440 355777621 /nfs/dbraw/zinc/77/76/21/355777621.db2.gz DRTVSMYJWIUAQH-UHFFFAOYSA-N 1 0 238.331 1.134 10 0 BDAERO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)C1CCCCC1 ZINC000639354325 355805531 /nfs/dbraw/zinc/80/55/31/355805531.db2.gz GVHIRQZMQWJMLO-BNOWGMLFSA-N 1 0 241.375 1.942 10 0 BDAERO C[C@H](C[NH2+][C@H]1CCOC[C@@H]1O)C1CCCCC1 ZINC000639354328 355805834 /nfs/dbraw/zinc/80/58/34/355805834.db2.gz GVHIRQZMQWJMLO-XBFCOCLRSA-N 1 0 241.375 1.942 10 0 BDAERO CC(C)Oc1cncc(NC[C@@H](C)C[NH3+])n1 ZINC000084901597 355871964 /nfs/dbraw/zinc/87/19/64/355871964.db2.gz IFSNCCNWFIMISO-VIFPVBQESA-N 1 0 224.308 1.271 10 0 BDAERO CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000351269681 355969434 /nfs/dbraw/zinc/96/94/34/355969434.db2.gz MNXYANNWBYPQDY-GARJFASQSA-N 1 0 211.305 1.812 10 0 BDAERO NC(=O)CNCc1csc(Br)c1 ZINC000035251404 181235543 /nfs/dbraw/zinc/23/55/43/181235543.db2.gz NGHLJIBAXITHNA-UHFFFAOYSA-N 1 0 249.133 1.086 10 0 BDAERO NC(=O)CNCc1ccc(F)cc1Cl ZINC000020056840 181235836 /nfs/dbraw/zinc/23/58/36/181235836.db2.gz DYPCEBHEVHNRSO-UHFFFAOYSA-N 1 0 216.643 1.054 10 0 BDAERO NC(=O)C[NH2+][C@H]1CSCc2ccccc21 ZINC000037184006 181237195 /nfs/dbraw/zinc/23/71/95/181237195.db2.gz ZMTPNHFHYJSCOZ-JTQLQIEISA-N 1 0 222.313 1.049 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000043388711 181241342 /nfs/dbraw/zinc/24/13/42/181241342.db2.gz QHTREIATERHJPP-MRVPVSSYSA-N 1 0 216.643 1.354 10 0 BDAERO NC(=O)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000068589795 181250816 /nfs/dbraw/zinc/25/08/16/181250816.db2.gz RAGFXEIFAQWQTI-NSHDSACASA-N 1 0 225.336 1.309 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000020578266 181244622 /nfs/dbraw/zinc/24/46/22/181244622.db2.gz YRROSHBLOLDWIQ-ZETCQYMHSA-N 1 0 233.098 1.869 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc2cc[nH]c2c1 ZINC000044255236 181245360 /nfs/dbraw/zinc/24/53/60/181245360.db2.gz MHHRWKNEOCPKNW-VIFPVBQESA-N 1 0 203.245 1.043 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCCCC1)C1CC1 ZINC000041047453 181264299 /nfs/dbraw/zinc/26/42/99/181264299.db2.gz UZDNCXFZJBFSMM-NSHDSACASA-N 1 0 210.321 1.563 10 0 BDAERO CC1(C)CC[NH+](CCC2CS(=O)(=O)C2)CC1 ZINC000336426934 356368516 /nfs/dbraw/zinc/36/85/16/356368516.db2.gz XGLUIWKXGXUBDG-UHFFFAOYSA-N 1 0 245.388 1.543 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)CCCCO)c1nncn1C ZINC000381045635 538466962 /nfs/dbraw/zinc/46/69/62/538466962.db2.gz DFILYCUUQBQJNV-VHSXEESVSA-N 1 0 226.324 1.017 10 0 BDAERO CC(C)(C)O[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675050674 538472716 /nfs/dbraw/zinc/47/27/16/538472716.db2.gz HFWPJTIRIQFVTJ-ZJUUUORDSA-N 1 0 213.321 1.698 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncc(C)cn1 ZINC000630093484 363526543 /nfs/dbraw/zinc/52/65/43/363526543.db2.gz NYWJKZWQHRGDRD-VHSXEESVSA-N 1 0 206.293 1.337 10 0 BDAERO COc1cccnc1N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630093376 363527138 /nfs/dbraw/zinc/52/71/38/363527138.db2.gz NKJNJSUJAROGEC-ZJUUUORDSA-N 1 0 221.304 1.121 10 0 BDAERO Cc1nn(CC[NH+]2CCCC2)c(C)c1N ZINC000083288333 538466350 /nfs/dbraw/zinc/46/63/50/538466350.db2.gz IBGKUYLJGDEPOL-UHFFFAOYSA-N 1 0 208.309 1.178 10 0 BDAERO CCC[C@]1(CNC(=O)CC2CC2)C[NH2+]CCO1 ZINC000675059537 538484040 /nfs/dbraw/zinc/48/40/40/538484040.db2.gz RPAZTCYDUZRXKC-CYBMUJFWSA-N 1 0 240.347 1.061 10 0 BDAERO CCCc1nccnc1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000630094763 363540552 /nfs/dbraw/zinc/54/05/52/363540552.db2.gz YBNGZFFKNUZWGY-WDEREUQCSA-N 1 0 234.347 1.403 10 0 BDAERO CCCc1nccnc1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000630094760 363540944 /nfs/dbraw/zinc/54/09/44/363540944.db2.gz YBNGZFFKNUZWGY-MNOVXSKESA-N 1 0 234.347 1.403 10 0 BDAERO CCNC(=O)N1CCOc2ccccc2[C@H]1C[NH3+] ZINC000675057885 538480988 /nfs/dbraw/zinc/48/09/88/538480988.db2.gz NBKHYLHOIGRQQF-LLVKDONJSA-N 1 0 249.314 1.110 10 0 BDAERO Nc1c(F)ccc(C2=CCC[NH2+]C2)c1F ZINC000675058803 538483062 /nfs/dbraw/zinc/48/30/62/538483062.db2.gz AASNTUYTICLCGC-UHFFFAOYSA-N 1 0 210.227 1.924 10 0 BDAERO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CC[C@H](CO)O2)C1 ZINC000675059093 538483091 /nfs/dbraw/zinc/48/30/91/538483091.db2.gz KEFAAQKCGKYXCL-FVCCEPFGSA-N 1 0 227.348 1.504 10 0 BDAERO CC[C@@]1(CNC(=O)[C@@H](C)C(C)C)C[NH2+]CCO1 ZINC000675058808 538483317 /nfs/dbraw/zinc/48/33/17/538483317.db2.gz ACMGNPNJHQGQRA-AAEUAGOBSA-N 1 0 242.363 1.163 10 0 BDAERO Cn1nc(NC(=O)OC(C)(C)C)cc1C[NH3+] ZINC000675051122 538474019 /nfs/dbraw/zinc/47/40/19/538474019.db2.gz MFYMDHGVNVYBKZ-UHFFFAOYSA-N 1 0 226.280 1.226 10 0 BDAERO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CC[C@H](CO)O1 ZINC000675059297 538483610 /nfs/dbraw/zinc/48/36/10/538483610.db2.gz NELPPYMVPDZJGF-FVCCEPFGSA-N 1 0 227.348 1.789 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCCN(CCO)C2)o1 ZINC000384398989 356639966 /nfs/dbraw/zinc/63/99/66/356639966.db2.gz CCRBQPULWSXWSF-GFCCVEGCSA-N 1 0 238.331 1.134 10 0 BDAERO O=C(C1CC1)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675055676 538476498 /nfs/dbraw/zinc/47/64/98/538476498.db2.gz ZHJDUYYFHSPZSS-UHFFFAOYSA-N 1 0 222.332 1.530 10 0 BDAERO CC(C)NC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675055905 538477288 /nfs/dbraw/zinc/47/72/88/538477288.db2.gz CRDUSTSZJLQXOW-ZYHUDNBSSA-N 1 0 225.336 1.308 10 0 BDAERO C[C@@H](CO)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000389410538 356642123 /nfs/dbraw/zinc/64/21/23/356642123.db2.gz OSOFSYORUSLJKH-GHMZBOCLSA-N 1 0 217.353 1.392 10 0 BDAERO CCC(C)(C)NC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056125 538477514 /nfs/dbraw/zinc/47/75/14/538477514.db2.gz CVESHUUNFJBEHS-QWRGUYRKSA-N 1 0 239.363 1.568 10 0 BDAERO CCC(=O)N([C@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675056356 538478324 /nfs/dbraw/zinc/47/83/24/538478324.db2.gz JFMFMSPTQUGBSY-MRVPVSSYSA-N 1 0 238.253 1.667 10 0 BDAERO CCC[C@H](C)C(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675068553 538496940 /nfs/dbraw/zinc/49/69/40/538496940.db2.gz BNPSMERXAMGZDU-DMDPSCGWSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1cn2c(n1)[C@@H]([C@H]1CCOC1)[NH2+]CCC2 ZINC000675067340 538493638 /nfs/dbraw/zinc/49/36/38/538493638.db2.gz ALCOUQARDBWZTO-WDEREUQCSA-N 1 0 221.304 1.262 10 0 BDAERO CCc1cn2c(n1)[C@H](CCOC)[NH2+]CCC2 ZINC000675069805 538499158 /nfs/dbraw/zinc/49/91/58/538499158.db2.gz YNPYMKZIWXBQBS-NSHDSACASA-N 1 0 223.320 1.516 10 0 BDAERO CCc1cn2c(n1)[C@@H](CCOC)[NH2+]CCC2 ZINC000675069804 538499320 /nfs/dbraw/zinc/49/93/20/538499320.db2.gz YNPYMKZIWXBQBS-LLVKDONJSA-N 1 0 223.320 1.516 10 0 BDAERO COc1nc2cc(F)cc(F)c2cc1C[NH3+] ZINC000675069619 538499420 /nfs/dbraw/zinc/49/94/20/538499420.db2.gz JJEAIPZTJYNXBD-UHFFFAOYSA-N 1 0 224.210 1.980 10 0 BDAERO CCCCNC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675070187 538500175 /nfs/dbraw/zinc/50/01/75/538500175.db2.gz MZRHLQZDHMUQKB-JQWIXIFHSA-N 1 0 225.336 1.309 10 0 BDAERO CC(C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675070350 538501012 /nfs/dbraw/zinc/50/10/12/538501012.db2.gz OSOXVFWSZZFZIY-LMLFDSFASA-N 1 0 210.321 1.132 10 0 BDAERO [NH3+]C[C@@]12C[C@@H]1CCCN2C(=O)C1CCC1 ZINC000675070625 538501102 /nfs/dbraw/zinc/50/11/02/538501102.db2.gz QTKSVUKYYSTFRV-JQWIXIFHSA-N 1 0 208.305 1.126 10 0 BDAERO CC(C)(C)NC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675070678 538501163 /nfs/dbraw/zinc/50/11/63/538501163.db2.gz RKPGNNLQXZXVMC-ZNSHCXBVSA-N 1 0 239.363 1.458 10 0 BDAERO CCCC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675071058 538502301 /nfs/dbraw/zinc/50/23/01/538502301.db2.gz WKQWVVDJXRLCRX-CHWFTXMASA-N 1 0 210.321 1.276 10 0 BDAERO O=C1CC[C@H](C[NH2+]Cc2ccc(Cl)nc2)N1 ZINC000083470588 538505035 /nfs/dbraw/zinc/50/50/35/538505035.db2.gz FCPDLOAOADKFMA-SECBINFHSA-N 1 0 239.706 1.103 10 0 BDAERO OC[C@@H]1[NH2+]CCOc2c(Cl)cccc21 ZINC000675073495 538505619 /nfs/dbraw/zinc/50/56/19/538505619.db2.gz KCCOPWRETMLXCZ-VIFPVBQESA-N 1 0 213.664 1.355 10 0 BDAERO Nc1ccc(Cl)cc1-c1cnn2c1C[NH2+]CC2 ZINC000675076215 538510135 /nfs/dbraw/zinc/51/01/35/538510135.db2.gz LBAGHHWTMINFOR-UHFFFAOYSA-N 1 0 248.717 1.889 10 0 BDAERO CN1C[C@@H]([NH2+]Cc2ccco2)C(C)(C)C1 ZINC000675076113 538510183 /nfs/dbraw/zinc/51/01/83/538510183.db2.gz UKUNNFYGPNDNFS-LLVKDONJSA-N 1 0 208.305 1.709 10 0 BDAERO Nc1ccc(F)c(-c2cnn3c2C[NH2+]CC3)c1 ZINC000675075860 538510451 /nfs/dbraw/zinc/51/04/51/538510451.db2.gz FKWADAXWHHUBCB-UHFFFAOYSA-N 1 0 232.262 1.375 10 0 BDAERO C1C[C@H](c2nc3c(s2)C[NH2+]CC3)CO1 ZINC000053335752 356667593 /nfs/dbraw/zinc/66/75/93/356667593.db2.gz AVAANVBRKWHETA-ZETCQYMHSA-N 1 0 210.302 1.293 10 0 BDAERO CCCc1cn2c(n1)[C@H](COCC)[NH2+]CCC2 ZINC000675068946 538497900 /nfs/dbraw/zinc/49/79/00/538497900.db2.gz UHDGCGNDTCMGTL-LBPRGKRZSA-N 1 0 237.347 1.907 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675069317 538498150 /nfs/dbraw/zinc/49/81/50/538498150.db2.gz GVXQBUURFYVNLB-KYXWUPHJSA-N 1 0 211.305 1.702 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675069316 538498236 /nfs/dbraw/zinc/49/82/36/538498236.db2.gz GVXQBUURFYVNLB-IMSYWVGJSA-N 1 0 211.305 1.702 10 0 BDAERO CC[C@H](C[NH3+])Nc1ncc(F)cc1F ZINC000160380628 356668962 /nfs/dbraw/zinc/66/89/62/356668962.db2.gz MCLSGECZBOFSTA-SSDOTTSWSA-N 1 0 201.220 1.509 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(Br)c(F)c1 ZINC000083557839 538513336 /nfs/dbraw/zinc/51/33/36/538513336.db2.gz RTEMMHPQHDXPNP-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(Cl)cc1F ZINC000083557756 538513450 /nfs/dbraw/zinc/51/34/50/538513450.db2.gz MFUUPAPSIIZTGQ-VIFPVBQESA-N 1 0 203.644 1.861 10 0 BDAERO N[C@@H]1C=C(Cc2cccc(F)c2)C[NH2+]C1 ZINC000675077726 538513867 /nfs/dbraw/zinc/51/38/67/538513867.db2.gz HPVAGYLFAONCOU-GFCCVEGCSA-N 1 0 206.264 1.225 10 0 BDAERO O[C@H]1C=C(C[C@@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675077446 538514207 /nfs/dbraw/zinc/51/42/07/538514207.db2.gz MRSANDBDJNJHAC-UWVGGRQHSA-N 1 0 217.259 1.702 10 0 BDAERO COC1CCC(C2=C[C@H](O)C[NH2+]C2)CC1 ZINC000675077464 538514232 /nfs/dbraw/zinc/51/42/32/538514232.db2.gz MUZPYCNXFQYPMR-ZYXZCXLHSA-N 1 0 211.305 1.082 10 0 BDAERO O[C@@H]1C=C(c2ccc(F)cc2F)C[NH2+]C1 ZINC000675078299 538514794 /nfs/dbraw/zinc/51/47/94/538514794.db2.gz WZLPESRTSYYNIA-SECBINFHSA-N 1 0 211.211 1.312 10 0 BDAERO O[C@@H]1C=C(c2sccc2Cl)C[NH2+]C1 ZINC000675078006 538515575 /nfs/dbraw/zinc/51/55/75/538515575.db2.gz UPBOYWMETQSMLD-SSDOTTSWSA-N 1 0 215.705 1.749 10 0 BDAERO Cc1ccc(CC2=C[C@H](N)C[NH2+]C2)cc1 ZINC000675077859 538515608 /nfs/dbraw/zinc/51/56/08/538515608.db2.gz SGCOZPMJOITQSW-ZDUSSCGKSA-N 1 0 202.301 1.394 10 0 BDAERO O[C@@H]1C=C(Cc2cncc(Cl)c2)C[NH2+]C1 ZINC000675078603 538516579 /nfs/dbraw/zinc/51/65/79/538516579.db2.gz ZOMAXKOQEAIGRM-LLVKDONJSA-N 1 0 224.691 1.168 10 0 BDAERO [NH3+]C[C@H]1C[C@]1(CO)c1ccc(Cl)cc1 ZINC000675079060 538517198 /nfs/dbraw/zinc/51/71/98/538517198.db2.gz VKKZODYZHOEMSX-KOLCDFICSA-N 1 0 211.692 1.549 10 0 BDAERO Cc1cc(C2=C[C@@H](N)C[NH2+]C2)ccc1F ZINC000675079285 538518246 /nfs/dbraw/zinc/51/82/46/538518246.db2.gz XLWIGDOWNVNISG-LLVKDONJSA-N 1 0 206.264 1.448 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)c2nccnc2C)C1 ZINC000389501823 356694924 /nfs/dbraw/zinc/69/49/24/356694924.db2.gz CHGFBMLZNIYUHV-NEPJUHHUSA-N 1 0 234.347 1.530 10 0 BDAERO O[C@@H]1C=C(Cc2scnc2Cl)C[NH2+]C1 ZINC000675077045 538511964 /nfs/dbraw/zinc/51/19/64/538511964.db2.gz IVPJYYUEXJNWLH-SSDOTTSWSA-N 1 0 230.720 1.230 10 0 BDAERO C[C@H]1CC(C2=C[C@H](N)C[NH2+]C2)C[C@H](C)C1 ZINC000675077238 538512012 /nfs/dbraw/zinc/51/20/12/538512012.db2.gz BIKUCAGSYDWBIH-BREBYQMCSA-N 1 0 208.349 1.916 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)NC(C)(C)C ZINC000129811414 538578869 /nfs/dbraw/zinc/57/88/69/538578869.db2.gz ZIHUJLSXYHEGTN-VHSXEESVSA-N 1 0 227.352 1.330 10 0 BDAERO C[C@H]1COC[C@@H](CC(=O)c2cscn2)[NH2+]1 ZINC000130389740 538590990 /nfs/dbraw/zinc/59/09/90/538590990.db2.gz HSGRIWJHGKEXFB-JGVFFNPUSA-N 1 0 226.301 1.093 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCC[C@H](O)C2)cn1 ZINC000390501388 356827750 /nfs/dbraw/zinc/82/77/50/356827750.db2.gz URSVMLOYHQNDKN-NEPJUHHUSA-N 1 0 221.304 1.178 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccc(C)nc2)c1 ZINC000155835837 538735831 /nfs/dbraw/zinc/73/58/31/538735831.db2.gz XPXGVHYIXSASAX-UHFFFAOYSA-N 1 0 230.315 1.685 10 0 BDAERO O=C1CCC[C@@H]1[N@H+]1CCCC[C@@H]1CCO ZINC000223753993 357044831 /nfs/dbraw/zinc/04/48/31/357044831.db2.gz AMKWBIWVFZYJQK-MNOVXSKESA-N 1 0 211.305 1.345 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)Cc2cccc(O)c2)C1 ZINC000389938272 357071101 /nfs/dbraw/zinc/07/11/01/357071101.db2.gz BNNYHKBGRDIIGA-LBPRGKRZSA-N 1 0 248.326 1.145 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccoc1 ZINC000390450717 357093284 /nfs/dbraw/zinc/09/32/84/357093284.db2.gz ZKZKFZXFCBEFKY-ATZCPNFKSA-N 1 0 222.288 1.597 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@](C)(O)COC ZINC000390454619 357093657 /nfs/dbraw/zinc/09/36/57/357093657.db2.gz CGGSVCPKGIGPIK-FRRDWIJNSA-N 1 0 229.364 1.942 10 0 BDAERO C[C@]1(O)CC[N@@H+]([C@H]2CCCCCC2=O)C1 ZINC000300032834 357174433 /nfs/dbraw/zinc/17/44/33/357174433.db2.gz RDFLFYSTSMPEAB-JQWIXIFHSA-N 1 0 211.305 1.345 10 0 BDAERO CCc1nnc(C[NH2+]C[C@@H](O)C(C)(C)C)s1 ZINC000391994884 357137340 /nfs/dbraw/zinc/13/73/40/357137340.db2.gz LLVZGYGFWVRYKQ-MRVPVSSYSA-N 1 0 243.376 1.597 10 0 BDAERO OC1(C[NH+]2CC(n3cccn3)C2)CCCC1 ZINC000585569861 538803476 /nfs/dbraw/zinc/80/34/76/538803476.db2.gz DTRMDWZGXKIISR-UHFFFAOYSA-N 1 0 221.304 1.045 10 0 BDAERO CC(C)[C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000157183695 538813152 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ZINC000685945849 538886990 /nfs/dbraw/zinc/88/69/90/538886990.db2.gz CNEUZUNZWFNPKJ-IVZWLZJFSA-N 1 0 216.300 1.176 10 0 BDAERO CC[C@@]1([NH3+])CCCN(C(=O)C2CCC2)C1 ZINC000685946934 538887902 /nfs/dbraw/zinc/88/79/02/538887902.db2.gz GXQGYANMHYUETH-GFCCVEGCSA-N 1 0 210.321 1.516 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000685947152 538889028 /nfs/dbraw/zinc/88/90/28/538889028.db2.gz RWHGNPGEZBMHHJ-GVXVVHGQSA-N 1 0 224.348 1.762 10 0 BDAERO CCCCS(=O)(=O)N[C@@]1(CC)CCC[NH2+]C1 ZINC000685947924 538889570 /nfs/dbraw/zinc/88/95/70/538889570.db2.gz UCPQVLNTGRIKAW-NSHDSACASA-N 1 0 248.392 1.238 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000685947662 538889573 /nfs/dbraw/zinc/88/95/73/538889573.db2.gz NHHODUCZEPTUHF-JQWIXIFHSA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CCC[C@]1(C)C[NH3+] ZINC000685947661 538889669 /nfs/dbraw/zinc/88/96/69/538889669.db2.gz NHHODUCZEPTUHF-CMPLNLGQSA-N 1 0 212.337 1.618 10 0 BDAERO CC[C@]1(NC(=O)C2(C)CC2)CCC[NH2+]C1 ZINC000685947671 538889847 /nfs/dbraw/zinc/88/98/47/538889847.db2.gz QHGMYKJGYSDFOB-LBPRGKRZSA-N 1 0 210.321 1.435 10 0 BDAERO CCCCNC(=O)N[C@]1(CC)CCC[NH2+]C1 ZINC000685948071 538890060 /nfs/dbraw/zinc/89/00/60/538890060.db2.gz WJBPPNPJVXAXPM-GFCCVEGCSA-N 1 0 227.352 1.618 10 0 BDAERO CC1CC[NH+]([C@@H]2CCNC[C@@H]2F)CC1 ZINC000685948240 538890080 /nfs/dbraw/zinc/89/00/80/538890080.db2.gz CPSHMAPKZNDMOQ-WDEREUQCSA-N 1 0 200.301 1.418 10 0 BDAERO CC1(NC(=O)CC2CC2)CCC([NH3+])CC1 ZINC000685948118 538890159 /nfs/dbraw/zinc/89/01/59/538890159.db2.gz YEHFUTFEOOIILH-UHFFFAOYSA-N 1 0 210.321 1.563 10 0 BDAERO C[C@@H]1CCC[N@@H+]([C@@H]2CCNC[C@@H]2F)[C@H]1C ZINC000685948582 538890759 /nfs/dbraw/zinc/89/07/59/538890759.db2.gz QNQSHILBZRIYJG-NOOOWODRSA-N 1 0 214.328 1.807 10 0 BDAERO CCCC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685948530 538891006 /nfs/dbraw/zinc/89/10/06/538891006.db2.gz AQXGWPONFGDKOK-ZYHUDNBSSA-N 1 0 210.321 1.577 10 0 BDAERO CC1(C(=O)N[C@]23CC[NH2+][C@@H]2CCCC3)CC1 ZINC000685948526 538891094 /nfs/dbraw/zinc/89/10/94/538891094.db2.gz AQGUXEPSVCMBGZ-ZWNOBZJWSA-N 1 0 222.332 1.577 10 0 BDAERO [NH3+][C@]12CCN(C(=O)C3CC3)[C@H]1CCCC2 ZINC000685949057 538891929 /nfs/dbraw/zinc/89/19/29/538891929.db2.gz JSDRXUXFVUZXOW-CMPLNLGQSA-N 1 0 208.305 1.269 10 0 BDAERO [NH3+][C@]12CCN(C(=O)CC3CC3)[C@H]1CCCC2 ZINC000685949149 538892603 /nfs/dbraw/zinc/89/26/03/538892603.db2.gz KPEWQPDOJATUPU-WCQYABFASA-N 1 0 222.332 1.659 10 0 BDAERO CC(C)NC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685949630 538892959 /nfs/dbraw/zinc/89/29/59/538892959.db2.gz VRDMUZUTAUBDCB-JQWIXIFHSA-N 1 0 225.336 1.450 10 0 BDAERO CC(C)=CC[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000232612406 357669690 /nfs/dbraw/zinc/66/96/90/357669690.db2.gz GNXSUPVZLJCDAJ-OLZOCXBDSA-N 1 0 224.348 1.405 10 0 BDAERO COC(=O)c1ccc2c(c1)O[C@@H](CC[NH3+])C2 ZINC000685950457 538894024 /nfs/dbraw/zinc/89/40/24/538894024.db2.gz QRACTODNPAXNLS-JTQLQIEISA-N 1 0 221.256 1.126 10 0 BDAERO CC[C@@H]1COCCN1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685950619 538894074 /nfs/dbraw/zinc/89/40/74/538894074.db2.gz BRBJKVKNQGHQBQ-XQHKEYJVSA-N 1 0 226.364 1.341 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000397737240 357674554 /nfs/dbraw/zinc/67/45/54/357674554.db2.gz UAAKVGKJKGLYJH-QJPTWQEYSA-N 1 0 247.404 1.648 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000090715080 363586853 /nfs/dbraw/zinc/58/68/53/363586853.db2.gz JEHFKSIGPIWILB-BFHYXJOUSA-N 1 0 240.391 1.875 10 0 BDAERO CCN(CC)CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000233459210 357724034 /nfs/dbraw/zinc/72/40/34/357724034.db2.gz KJEQXMYJMCKPEP-CHWSQXEVSA-N 1 0 226.364 1.485 10 0 BDAERO COc1cccnc1N(C)CC(C)(C)C[NH3+] ZINC000160294707 357742327 /nfs/dbraw/zinc/74/23/27/357742327.db2.gz QPRIDMGWPLMICD-UHFFFAOYSA-N 1 0 223.320 1.511 10 0 BDAERO CN1CCC[N@@H+]([C@@H]2C=CCCC2)CC1=O ZINC000191108912 357750875 /nfs/dbraw/zinc/75/08/75/357750875.db2.gz JJKOWIANEANNNI-LLVKDONJSA-N 1 0 208.305 1.259 10 0 BDAERO Cc1ncc(C[NH2+]C[C@@H](O)C(C)(C)C)o1 ZINC000397914502 357801313 /nfs/dbraw/zinc/80/13/13/357801313.db2.gz GCQLOXVCMDISPL-SNVBAGLBSA-N 1 0 212.293 1.480 10 0 BDAERO Cn1cc([C@H]2CCN(Cc3ncccn3)C2)cn1 ZINC000192029368 357813993 /nfs/dbraw/zinc/81/39/93/357813993.db2.gz LBOSVYPKCAHOCG-NSHDSACASA-N 1 0 243.314 1.200 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]Cc1cnc(C)o1 ZINC000397974351 357818217 /nfs/dbraw/zinc/81/82/17/357818217.db2.gz KDRIZCQYQWEILN-LLVKDONJSA-N 1 0 242.319 1.250 10 0 BDAERO Cc1c[nH+]ccc1N[C@H]1CCc2ncnn2C1 ZINC000191980731 357819038 /nfs/dbraw/zinc/81/90/38/357819038.db2.gz RKGMXYOYWQCEFM-JTQLQIEISA-N 1 0 229.287 1.408 10 0 BDAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000191714360 357790304 /nfs/dbraw/zinc/79/03/04/357790304.db2.gz WADZHKDKACBKLB-SRVKXCTJSA-N 1 0 240.347 1.012 10 0 BDAERO O=C(OCC1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000192858559 357856523 /nfs/dbraw/zinc/85/65/23/357856523.db2.gz IVTDQURKWVZANI-GFCCVEGCSA-N 1 0 238.331 1.703 10 0 BDAERO C[C@@H]1CN(CCCOCC(F)(F)F)C[C@@H]1[NH3+] ZINC000235366673 357867815 /nfs/dbraw/zinc/86/78/15/357867815.db2.gz LLXFFZCTDNISAI-BDAKNGLRSA-N 1 0 240.269 1.234 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccno3)C[C@@H]2C1 ZINC000398715998 357889648 /nfs/dbraw/zinc/88/96/48/357889648.db2.gz FPPKPYHOAYXHJR-GARJFASQSA-N 1 0 222.288 1.267 10 0 BDAERO C[C@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1[NH3+] ZINC000235653996 357926447 /nfs/dbraw/zinc/92/64/47/357926447.db2.gz PXUYQPCEIABEAA-GXTWGEPZSA-N 1 0 246.354 1.815 10 0 BDAERO CC[C@@]1(C)CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000399320528 357903472 /nfs/dbraw/zinc/90/34/72/357903472.db2.gz YVJQEEIHDGBBTQ-QWHCGFSZSA-N 1 0 224.348 1.777 10 0 BDAERO CC[C@H](C[N@@H+]1CC[C@@H](O)C[C@H]1C)OC ZINC000639938545 357944466 /nfs/dbraw/zinc/94/44/66/357944466.db2.gz CFACQEZMTZCLLO-GMTAPVOTSA-N 1 0 201.310 1.257 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000639938553 357944626 /nfs/dbraw/zinc/94/46/26/357944626.db2.gz CJAMUDHEKVQYDF-OPRDCNLKSA-N 1 0 235.274 1.256 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000639938567 357944930 /nfs/dbraw/zinc/94/49/30/357944930.db2.gz DBLMSTDDGHEZTO-MRVWCRGKSA-N 1 0 241.375 1.773 10 0 BDAERO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)N(C)C1CC1 ZINC000218991113 357973711 /nfs/dbraw/zinc/97/37/11/357973711.db2.gz PHFNJQQSCIUKRC-RAIGVLPGSA-N 1 0 226.364 1.362 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000168985998 358006033 /nfs/dbraw/zinc/00/60/33/358006033.db2.gz NGOJDCPTNJRIFL-JTQLQIEISA-N 1 0 211.305 1.372 10 0 BDAERO CSCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000171633134 134257198 /nfs/dbraw/zinc/25/71/98/134257198.db2.gz KVGTXIVSWUSOLI-LLVKDONJSA-N 1 0 240.376 1.353 10 0 BDAERO CC(C)OCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171638162 134257553 /nfs/dbraw/zinc/25/75/53/134257553.db2.gz RVAGXTLUDHENDS-CYBMUJFWSA-N 1 0 226.364 1.582 10 0 BDAERO CC(C)Oc1cncc(N[C@@H](C)CC[NH3+])n1 ZINC000134270072 325352026 /nfs/dbraw/zinc/35/20/26/325352026.db2.gz PXFPEGIPOMEXFX-VIFPVBQESA-N 1 0 224.308 1.413 10 0 BDAERO CC[C@]1(O)CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000640036913 358137190 /nfs/dbraw/zinc/13/71/90/358137190.db2.gz ZAKHVPLJYDWMNL-RDBSUJKOSA-N 1 0 241.375 1.774 10 0 BDAERO Cc1c(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cnn1C ZINC000163151930 202227460 /nfs/dbraw/zinc/22/74/60/202227460.db2.gz OMFXVLKACRHJIV-GWCFXTLKSA-N 1 0 248.374 1.443 10 0 BDAERO O=C(NC1C[NH2+]C1)c1ccc(F)cc1Cl ZINC000085255682 134261907 /nfs/dbraw/zinc/26/19/07/134261907.db2.gz RQTIXHBEWLWQHJ-UHFFFAOYSA-N 1 0 228.654 1.181 10 0 BDAERO COc1ccc(N)cc1CCC[NH+](C)C ZINC000039186176 358219487 /nfs/dbraw/zinc/21/94/87/358219487.db2.gz MWHNOWJETLTAMZ-UHFFFAOYSA-N 1 0 208.305 1.772 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2F)C1 ZINC000040630579 358244381 /nfs/dbraw/zinc/24/43/81/358244381.db2.gz YDPSAJXGHJNHNU-LDYMZIIASA-N 1 0 238.262 1.141 10 0 BDAERO COc1cccc2c1[C@@H]1CC[C@@H](O)[NH2+][C@H]1CC2 ZINC000584596747 358254381 /nfs/dbraw/zinc/25/43/81/358254381.db2.gz RRRYEDJMZRPDTM-NTZNESFSSA-N 1 0 233.311 1.795 10 0 BDAERO COC(=O)c1ccc([C@@H]2C[C@@H](O)CC[NH2+]2)cc1 ZINC000584598355 358255823 /nfs/dbraw/zinc/25/58/23/358255823.db2.gz RCTMWTTULRQVQB-RYUDHWBXSA-N 1 0 235.283 1.259 10 0 BDAERO CC(=O)c1cc(C)c(C)cc1OC[C@@H](O)C[NH3+] ZINC000584603872 358262318 /nfs/dbraw/zinc/26/23/18/358262318.db2.gz RNWLTSMESSTALL-NSHDSACASA-N 1 0 237.299 1.204 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2CCC1CC2 ZINC000584606014 358265081 /nfs/dbraw/zinc/26/50/81/358265081.db2.gz GYBAVXWWILKZRY-WXRRBKDZSA-N 1 0 236.359 1.872 10 0 BDAERO Cc1cc2c([nH]1)c(C(N)=O)ccc2[C@H]1CC[NH2+]C1 ZINC000584619090 358285377 /nfs/dbraw/zinc/28/53/77/358285377.db2.gz DFJKMRKFJUIZLU-VIFPVBQESA-N 1 0 243.310 1.652 10 0 BDAERO COC(=O)[C@H](C[NH+]1CCCC1)Nc1ccccc1 ZINC000584621082 358288094 /nfs/dbraw/zinc/28/80/94/358288094.db2.gz QSNRARYJTPIRLT-ZDUSSCGKSA-N 1 0 248.326 1.736 10 0 BDAERO Cc1cc2c(cn1)C1(CC[NH2+]CC1)OC2=O ZINC000584649535 358304287 /nfs/dbraw/zinc/30/42/87/358304287.db2.gz AXAJTWLXZGNFGC-UHFFFAOYSA-N 1 0 218.256 1.139 10 0 BDAERO CN(C(=O)C1CCCCCC1)C1C[NH2+]C1 ZINC000085257512 134267470 /nfs/dbraw/zinc/26/74/70/134267470.db2.gz ODGXGXOFOQPSNB-UHFFFAOYSA-N 1 0 210.321 1.387 10 0 BDAERO CC(C)[N@H+](C)CCCN1C(=O)OC(C)(C)C1=O ZINC000584658976 358310618 /nfs/dbraw/zinc/31/06/18/358310618.db2.gz QKFMIGNDQICFCS-UHFFFAOYSA-N 1 0 242.319 1.474 10 0 BDAERO Cn1cnc2c1[C@@H]([NH3+])CN(Cc1ccccc1)C2 ZINC000584617245 358282142 /nfs/dbraw/zinc/28/21/42/358282142.db2.gz GDFYSVKKDUAVFQ-LBPRGKRZSA-N 1 0 242.326 1.436 10 0 BDAERO Cc1ccc(C(=O)N(C)C2C[NH2+]C2)cc1 ZINC000085257533 134270500 /nfs/dbraw/zinc/27/05/00/134270500.db2.gz QIACFGFWRFQDAI-UHFFFAOYSA-N 1 0 204.273 1.039 10 0 BDAERO C[NH2+]C[C@]1(c2ccccc2)CCN(C)C1 ZINC000584633699 358317543 /nfs/dbraw/zinc/31/75/43/358317543.db2.gz IADFIBPYWATTHI-CYBMUJFWSA-N 1 0 204.317 1.479 10 0 BDAERO COc1cccc([C@]2(O)CC[N@H+](C)[C@H]2C)c1 ZINC000584635325 358319628 /nfs/dbraw/zinc/31/96/28/358319628.db2.gz UHXTVLYSCXZNJK-GWCFXTLKSA-N 1 0 221.300 1.607 10 0 BDAERO CS[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226236886 358336193 /nfs/dbraw/zinc/33/61/93/358336193.db2.gz MFFVAVOJXVCEAQ-IVZWLZJFSA-N 1 0 203.351 1.631 10 0 BDAERO CC1(C[N@@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000226402472 358338985 /nfs/dbraw/zinc/33/89/85/358338985.db2.gz DVGPRWDSZNUDJF-GFCCVEGCSA-N 1 0 208.349 1.957 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000226512231 358340852 /nfs/dbraw/zinc/34/08/52/358340852.db2.gz ATDKKFACIFDVRK-GMTAPVOTSA-N 1 0 208.305 1.067 10 0 BDAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc2nccnc2n1 ZINC000228267281 358372030 /nfs/dbraw/zinc/37/20/30/358372030.db2.gz XBYZBZNJMMHYJO-BDAKNGLRSA-N 1 0 231.303 1.563 10 0 BDAERO NC(=O)c1ccc(F)c(C[NH2+]CC2CC2)c1 ZINC000020037626 181297527 /nfs/dbraw/zinc/29/75/27/181297527.db2.gz LYEVCKRYTRNWHE-UHFFFAOYSA-N 1 0 222.263 1.424 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCSC1 ZINC000227897716 358365968 /nfs/dbraw/zinc/36/59/68/358365968.db2.gz XWMDLFZPRSWWTA-GHMZBOCLSA-N 1 0 233.377 1.259 10 0 BDAERO CCn1cc([C@H]([NH3+])[C@@H]2CCSC2)cn1 ZINC000160783332 358552477 /nfs/dbraw/zinc/55/24/77/358552477.db2.gz PSRSBQUNRWYEII-PSASIEDQSA-N 1 0 211.334 1.656 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cccn1 ZINC000175058097 134284210 /nfs/dbraw/zinc/28/42/10/134284210.db2.gz CKICVFIVNHGTFI-UONOGXRCSA-N 1 0 248.374 1.442 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1ccnc(C(N)=O)c1 ZINC000130551521 358631580 /nfs/dbraw/zinc/63/15/80/358631580.db2.gz GHUGRXUEASAABP-SNVBAGLBSA-N 1 0 236.319 1.110 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1nccn2cnnc12 ZINC000130576358 358632668 /nfs/dbraw/zinc/63/26/68/358632668.db2.gz ZKFCAMHHUHYTSV-SECBINFHSA-N 1 0 234.307 1.054 10 0 BDAERO C[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)C1CC1 ZINC000175285547 134286186 /nfs/dbraw/zinc/28/61/86/134286186.db2.gz BUTQTDUWORKKJP-NSHDSACASA-N 1 0 236.359 1.729 10 0 BDAERO O[C@H]([C@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000300230770 358596215 /nfs/dbraw/zinc/59/62/15/358596215.db2.gz DGRMMOITTYMAGV-IVZWLZJFSA-N 1 0 201.335 1.243 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000133244525 358748541 /nfs/dbraw/zinc/74/85/41/358748541.db2.gz PPCSBOQVIKXQAL-JHJVBQTASA-N 1 0 230.396 1.976 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)c1ccc(Br)cn1 ZINC000130190674 358748659 /nfs/dbraw/zinc/74/86/59/358748659.db2.gz XEADTJPPAVNSEI-RCOVLWMOSA-N 1 0 245.120 1.472 10 0 BDAERO C(CN1CCOC[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000132276869 358715169 /nfs/dbraw/zinc/71/51/69/358715169.db2.gz FSBBBJJARNSQRQ-AWEZNQCLSA-N 1 0 238.375 1.583 10 0 BDAERO OCCCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000051020067 358742544 /nfs/dbraw/zinc/74/25/44/358742544.db2.gz XYAYWGRPDLVLKV-OLZOCXBDSA-N 1 0 227.348 1.792 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000052762099 358792634 /nfs/dbraw/zinc/79/26/34/358792634.db2.gz DHKWNQRTCQXSJF-OLZOCXBDSA-N 1 0 227.348 1.792 10 0 BDAERO CC(C)OCC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000134756566 358805279 /nfs/dbraw/zinc/80/52/79/358805279.db2.gz YQJSLHFAKMTAPW-UONOGXRCSA-N 1 0 240.391 1.970 10 0 BDAERO Cl/C=C/CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000135243186 358827628 /nfs/dbraw/zinc/82/76/28/358827628.db2.gz SNFFYIJHHQIFHI-TZNOJPMFSA-N 1 0 214.740 1.909 10 0 BDAERO CC(C)([NH3+])[C@@H](O)C[C@H]1CCC(F)(F)C1 ZINC000306160916 358965895 /nfs/dbraw/zinc/96/58/95/358965895.db2.gz FVXNDAJFBAGBLW-SFYZADRCSA-N 1 0 207.264 1.910 10 0 BDAERO C[C@@H]1SCC[C@]1(O)[C@H]1CCCC[NH2+]1 ZINC000300351870 358970960 /nfs/dbraw/zinc/97/09/60/358970960.db2.gz FBXJQUFISIFAQX-IVZWLZJFSA-N 1 0 201.335 1.385 10 0 BDAERO CC(C)(C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000020181929 166524275 /nfs/dbraw/zinc/52/42/75/166524275.db2.gz CAUFTFLKPKUAOD-JTQLQIEISA-N 1 0 212.337 1.762 10 0 BDAERO COCCC[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000177731509 134300042 /nfs/dbraw/zinc/30/00/42/134300042.db2.gz KBAXGUJKYRKJKB-OLZOCXBDSA-N 1 0 244.379 1.112 10 0 BDAERO C[C@@H]1CSC[C@@]1(CN)[N@H+](C)C1CCC1 ZINC000306193405 359021132 /nfs/dbraw/zinc/02/11/32/359021132.db2.gz KRUQZAZNSWABRZ-MWLCHTKSSA-N 1 0 214.378 1.551 10 0 BDAERO CC[N@H+](C[C@H](O)COC(C)(C)C)CC1CC1 ZINC000070014067 359039129 /nfs/dbraw/zinc/03/91/29/359039129.db2.gz QDWKYUOPHKXGES-LBPRGKRZSA-N 1 0 229.364 1.894 10 0 BDAERO C[C@H]1C[C@@](O)(c2ccsn2)CC[N@@H+]1C ZINC000306178168 358987381 /nfs/dbraw/zinc/98/73/81/358987381.db2.gz HAYFASWGTUBGCY-WCBMZHEXSA-N 1 0 212.318 1.445 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]1CN1CCC(F)(F)C1 ZINC000306186943 359002409 /nfs/dbraw/zinc/00/24/09/359002409.db2.gz BOAKFQABKKXAHT-RKDXNWHRSA-N 1 0 204.264 1.325 10 0 BDAERO OCCCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000220317614 134303109 /nfs/dbraw/zinc/30/31/09/134303109.db2.gz LDPJVPBYWCIIFJ-ZIAGYGMSSA-N 1 0 241.375 1.776 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000178081032 134303200 /nfs/dbraw/zinc/30/32/00/134303200.db2.gz SAARYUFDXTXGTE-JTQLQIEISA-N 1 0 238.335 1.704 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000070558585 359059652 /nfs/dbraw/zinc/05/96/52/359059652.db2.gz XAPQUCVELRGAGN-BDAKNGLRSA-N 1 0 241.253 1.147 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccon1 ZINC000247039497 359188981 /nfs/dbraw/zinc/18/89/81/359188981.db2.gz PULQTPSIXYHKMD-PWSUYJOCSA-N 1 0 221.304 1.343 10 0 BDAERO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246573658 359148131 /nfs/dbraw/zinc/14/81/31/359148131.db2.gz RRGAMPRLZFOERA-MNOVXSKESA-N 1 0 236.315 1.893 10 0 BDAERO COC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)C(C)C ZINC000247082538 359194106 /nfs/dbraw/zinc/19/41/06/359194106.db2.gz NOLQFRJOQOUSHW-RRFJBIMHSA-N 1 0 249.354 1.905 10 0 BDAERO CCCCC[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000246813691 359167970 /nfs/dbraw/zinc/16/79/70/359167970.db2.gz ZVEVOZJTFDPPJF-ZDUSSCGKSA-N 1 0 228.380 1.829 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246933584 359195449 /nfs/dbraw/zinc/19/54/49/359195449.db2.gz HFBQNYZXKZNCGD-MELADBBJSA-N 1 0 242.407 1.977 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)C ZINC000246959496 359177082 /nfs/dbraw/zinc/17/70/82/359177082.db2.gz MQGPMYMYAGDOGE-RYUDHWBXSA-N 1 0 224.348 1.728 10 0 BDAERO COC(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)OC ZINC000248059946 359253528 /nfs/dbraw/zinc/25/35/28/359253528.db2.gz YBVHMTGLFHLEBM-AAEUAGOBSA-N 1 0 243.347 1.232 10 0 BDAERO CC(C)n1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000247177916 359198807 /nfs/dbraw/zinc/19/88/07/359198807.db2.gz RNXRPDFCLYTOTB-AWEZNQCLSA-N 1 0 248.374 1.744 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@H]1NCc1cscn1 ZINC000306206085 359295530 /nfs/dbraw/zinc/29/55/30/359295530.db2.gz PKXRWRKVZBPPGS-WPRPVWTQSA-N 1 0 211.334 1.231 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000160925964 359308400 /nfs/dbraw/zinc/30/84/00/359308400.db2.gz GDPVXTWTXKEHQT-OCCSQVGLSA-N 1 0 249.358 1.453 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CN(CC(C)(C)C)CCO1 ZINC000169122499 359313681 /nfs/dbraw/zinc/31/36/81/359313681.db2.gz ZIWHWABIUMUCOQ-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO CCc1nnc(C[N@@H+]2CC[C@@H](C)[C@H]2C)n1C ZINC000248340465 359265322 /nfs/dbraw/zinc/26/53/22/359265322.db2.gz IOTOVBLFCIXWBF-NXEZZACHSA-N 1 0 222.336 1.608 10 0 BDAERO Cc1nc(CN2CC[N@@H+]3CCCC[C@H]3C2)no1 ZINC000248357772 359270426 /nfs/dbraw/zinc/27/04/26/359270426.db2.gz PWXOIGYFAJXUKI-NSHDSACASA-N 1 0 236.319 1.048 10 0 BDAERO CC[C@@](C)([C@@H](C)O)[NH+]1CCSCC1 ZINC000306228478 359361754 /nfs/dbraw/zinc/36/17/54/359361754.db2.gz HQWMCFMZWLPIQL-ZJUUUORDSA-N 1 0 203.351 1.585 10 0 BDAERO OC[C@@]1(Cc2sccc2Cl)CC[NH2+]C1 ZINC000306216895 359330773 /nfs/dbraw/zinc/33/07/73/359330773.db2.gz JEXYQKRQFZNTAK-SNVBAGLBSA-N 1 0 231.748 1.916 10 0 BDAERO C[C@]1(O)CCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000306220144 359339328 /nfs/dbraw/zinc/33/93/28/359339328.db2.gz RHTSQUDAAXXDNE-UTLUCORTSA-N 1 0 201.335 1.385 10 0 BDAERO Cc1ccsc1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623764268 359343135 /nfs/dbraw/zinc/34/31/35/359343135.db2.gz BFIKQSWLEBFOMA-UWVGGRQHSA-N 1 0 227.329 1.296 10 0 BDAERO Clc1sccc1CNC1=[NH+]CCCN1 ZINC000306241852 359425099 /nfs/dbraw/zinc/42/50/99/359425099.db2.gz SECNBNWPIVVSSV-UHFFFAOYSA-N 1 0 229.736 1.840 10 0 BDAERO C[C@@H]1CC[NH2+][C@H](C2CCC2)C[S@@]1=O ZINC000306244419 359427939 /nfs/dbraw/zinc/42/79/39/359427939.db2.gz UMCVCNAYJZXKEE-DVYJOKAKSA-N 1 0 201.335 1.286 10 0 BDAERO [NH3+]C[C@]1(C[C@H]2CCOC2)CCCS1 ZINC000306255069 359460125 /nfs/dbraw/zinc/46/01/25/359460125.db2.gz OQLWMMJPMUQYEO-NXEZZACHSA-N 1 0 201.335 1.638 10 0 BDAERO [NH3+][C@H]1CN(Cc2ccsc2Cl)C1=O ZINC000306271078 359503089 /nfs/dbraw/zinc/50/30/89/359503089.db2.gz REOGZSPTJAKCCE-LURJTMIESA-N 1 0 216.693 1.071 10 0 BDAERO Cc1sc2nc3c(n2c1C)C[NH2+]CC3 ZINC000130326587 359519170 /nfs/dbraw/zinc/51/91/70/359519170.db2.gz KWNSOYRQTDPSAY-UHFFFAOYSA-N 1 0 207.302 1.658 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@@H]1CC=C(Cl)Cl ZINC000403570583 359527718 /nfs/dbraw/zinc/52/77/18/359527718.db2.gz XHYWFZZNSPRRGP-NKWVEPMBSA-N 1 0 210.104 1.666 10 0 BDAERO CC[C@](C)([C@H](C)O)[N@@H+]1CCCSCC1 ZINC000306329386 359610759 /nfs/dbraw/zinc/61/07/59/359610759.db2.gz ZHUQMVIOIVEDRE-WDEREUQCSA-N 1 0 217.378 1.975 10 0 BDAERO C[C@@H](C[NH3+])N1CCC=C(Br)C1 ZINC000404560650 359611789 /nfs/dbraw/zinc/61/17/89/359611789.db2.gz XELXRTSMXSFXDY-ZETCQYMHSA-N 1 0 219.126 1.318 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000623765078 359639083 /nfs/dbraw/zinc/63/90/83/359639083.db2.gz NNLQSNGMKYFRIA-QWHCGFSZSA-N 1 0 221.300 1.234 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2nnc(C)o2)C1 ZINC000309040641 491143143 /nfs/dbraw/zinc/14/31/43/491143143.db2.gz LAGXWXKEDRAKOC-APPZFPTMSA-N 1 0 210.281 1.130 10 0 BDAERO Cc1cnc(Br)c(NC(=O)C[NH3+])c1 ZINC000306390464 359747114 /nfs/dbraw/zinc/74/71/14/359747114.db2.gz WAOQRJOSWKRKHZ-UHFFFAOYSA-N 1 0 244.092 1.050 10 0 BDAERO CC(C)C(C[NH2+][C@@H]1CCNC1=O)C(C)C ZINC000309082730 491144482 /nfs/dbraw/zinc/14/44/82/491144482.db2.gz SBSVUSFZPWTTDJ-LLVKDONJSA-N 1 0 212.337 1.393 10 0 BDAERO Cl/C=C/CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000306428470 359880673 /nfs/dbraw/zinc/88/06/73/359880673.db2.gz MNNJPZHGFUAFRZ-NRNXRYRJSA-N 1 0 200.713 1.423 10 0 BDAERO C[C@@H]1CSC(N[C@H]2CCSC2)=[NH+]1 ZINC000231359781 359915046 /nfs/dbraw/zinc/91/50/46/359915046.db2.gz CGOONNZLWDRRPO-RQJHMYQMSA-N 1 0 202.348 1.573 10 0 BDAERO OC[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090876805 360092582 /nfs/dbraw/zinc/09/25/82/360092582.db2.gz WSBKBKNQHIPVRS-JSGCOSHPSA-N 1 0 247.338 1.694 10 0 BDAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cn[nH]c1 ZINC000309326438 491147032 /nfs/dbraw/zinc/14/70/32/491147032.db2.gz GQMQWMIZDQXEAD-RYUDHWBXSA-N 1 0 223.320 1.560 10 0 BDAERO CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000249818026 169886459 /nfs/dbraw/zinc/88/64/59/169886459.db2.gz JXIPYWAKPCIPIR-QJPTWQEYSA-N 1 0 240.347 1.141 10 0 BDAERO CC1CCC(C[NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000091667404 360123409 /nfs/dbraw/zinc/12/34/09/360123409.db2.gz ZRTKCTJRMIYBHR-RUXDESIVSA-N 1 0 240.391 1.733 10 0 BDAERO [NH3+][C@@H](C1=COCC1)[C@@H]1CSCCS1 ZINC000306488362 360167579 /nfs/dbraw/zinc/16/75/79/360167579.db2.gz UYSDFGLGLMAICT-IUCAKERBSA-N 1 0 217.359 1.467 10 0 BDAERO C[C@H]1CN(OCc2ccccc2)CC[C@H]1[NH3+] ZINC000306499241 360258281 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/nfs/dbraw/zinc/15/21/72/491152172.db2.gz KRCNKFUFVPBOHV-CYBMUJFWSA-N 1 0 228.380 1.469 10 0 BDAERO CC[C@]1(C)C[C@@](C[NH3+])(N(C)C)CCO1 ZINC000069892049 360950353 /nfs/dbraw/zinc/95/03/53/360950353.db2.gz XUDITFYYXMTPIK-MNOVXSKESA-N 1 0 200.326 1.225 10 0 BDAERO CC(C)[C@H]1C[C@](C[NH3+])(N(C)C)CCO1 ZINC000069892058 360950596 /nfs/dbraw/zinc/95/05/96/360950596.db2.gz HIYTUJOLAURXMP-GHMZBOCLSA-N 1 0 200.326 1.081 10 0 BDAERO C/C(=C/Cl)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000379470819 360953194 /nfs/dbraw/zinc/95/31/94/360953194.db2.gz QCVRJSOMYNEQDO-VCNAMUQVSA-N 1 0 202.729 1.811 10 0 BDAERO C[C@H]1C[NH+](CC(N)=S)C[C@H](C)S1 ZINC000069908519 361001745 /nfs/dbraw/zinc/00/17/45/361001745.db2.gz NBNXYRJJUCRKBO-BQBZGAKWSA-N 1 0 204.364 1.098 10 0 BDAERO [NH3+][C@@H](CCO)c1cscc1Br ZINC000238564804 361153232 /nfs/dbraw/zinc/15/32/32/361153232.db2.gz QWWWMTFHHSYQRH-ZETCQYMHSA-N 1 0 236.134 1.893 10 0 BDAERO [NH3+]C/C=C1/CCc2ccc3c(c21)CCO3 ZINC000065748821 181324746 /nfs/dbraw/zinc/32/47/46/181324746.db2.gz RYYNBBSULBXPJL-YHYXMXQVSA-N 1 0 201.269 1.910 10 0 BDAERO CCCC[C@@H]([NH2+]Cc1ccccc1)C(N)=O ZINC000041053261 361209592 /nfs/dbraw/zinc/20/95/92/361209592.db2.gz AUZFPDKQVGFHRO-GFCCVEGCSA-N 1 0 220.316 1.820 10 0 BDAERO CSCCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000158815880 361212968 /nfs/dbraw/zinc/21/29/68/361212968.db2.gz YTLJARPBYBUDCA-UWVGGRQHSA-N 1 0 230.377 1.101 10 0 BDAERO CCc1nc(C2([NH3+])CCSCC2)no1 ZINC000041058878 361221854 /nfs/dbraw/zinc/22/18/54/361221854.db2.gz QZERPAGEJDYYDA-UHFFFAOYSA-N 1 0 213.306 1.313 10 0 BDAERO [NH3+]C1(C(=O)N[C@H]2CCCC[C@H]2O)CCCCC1 ZINC000052009655 181327875 /nfs/dbraw/zinc/32/78/75/181327875.db2.gz HFHKYMABDHGWGD-WDEREUQCSA-N 1 0 240.347 1.068 10 0 BDAERO [NH3+]C1(C(=O)OCC2CC2)CCCCCC1 ZINC000040396823 181329086 /nfs/dbraw/zinc/32/90/86/181329086.db2.gz YEVXGMPOWNDLMA-UHFFFAOYSA-N 1 0 211.305 1.991 10 0 BDAERO [NH3+]Cc1c(OC(F)(F)F)cncc1[N+](=O)[O-] ZINC000381399277 361389855 /nfs/dbraw/zinc/38/98/55/361389855.db2.gz PQPRJBSHIICMCG-UHFFFAOYSA-N 1 0 237.137 1.347 10 0 BDAERO Cc1sc(=O)n(C[C@@H](C)C[NH3+])c1C ZINC000070068536 361396862 /nfs/dbraw/zinc/39/68/62/361396862.db2.gz JAROUKCXOFQZJA-LURJTMIESA-N 1 0 200.307 1.121 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@@](C)(CO)C(C)C ZINC000352894973 366777530 /nfs/dbraw/zinc/77/75/30/366777530.db2.gz UTIHTDPNGYPFHB-STQMWFEESA-N 1 0 247.379 1.161 10 0 BDAERO [NH3+]C1(c2ccc(Br)nc2)COC1 ZINC000095764016 181334088 /nfs/dbraw/zinc/33/40/88/181334088.db2.gz JCQJBWHJRICCBY-UHFFFAOYSA-N 1 0 229.077 1.028 10 0 BDAERO CCN(Cc1ccoc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000629599898 361490940 /nfs/dbraw/zinc/49/09/40/361490940.db2.gz OEFDHQXSYBJTSV-NWDGAFQWSA-N 1 0 236.315 1.756 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]CC1=CCCOC1 ZINC000379750687 361498348 /nfs/dbraw/zinc/49/83/48/361498348.db2.gz LGGMJHYHHJJXKF-CYBMUJFWSA-N 1 0 243.347 1.100 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CC1=CCCOC1 ZINC000379750688 361498374 /nfs/dbraw/zinc/49/83/74/361498374.db2.gz LGGMJHYHHJJXKF-ZDUSSCGKSA-N 1 0 243.347 1.100 10 0 BDAERO NC1=[NH+]C[C@H](CSc2ccccc2)O1 ZINC000003599082 181338751 /nfs/dbraw/zinc/33/87/51/181338751.db2.gz DSXNAAVBZUNNJI-MRVPVSSYSA-N 1 0 208.286 1.492 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCOCC1CC1 ZINC000448549044 201215693 /nfs/dbraw/zinc/21/56/93/201215693.db2.gz HKBBYOALVVBEPF-PWSUYJOCSA-N 1 0 213.321 1.258 10 0 BDAERO [NH3+]C1CC(NC(=O)c2ccc(Cl)cc2)C1 ZINC000036237266 181340793 /nfs/dbraw/zinc/34/07/93/181340793.db2.gz XDJBFNHETZDIDF-UHFFFAOYSA-N 1 0 224.691 1.560 10 0 BDAERO [NH3+]C1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000037629648 181340684 /nfs/dbraw/zinc/34/06/84/181340684.db2.gz JAYAFZXIIKIUIR-UHFFFAOYSA-N 1 0 234.299 1.848 10 0 BDAERO [NH3+]C1CCC(CC(=O)N2CCCC2)CC1 ZINC000055091646 181341034 /nfs/dbraw/zinc/34/10/34/181341034.db2.gz LVXJYSDCJIEJDO-UHFFFAOYSA-N 1 0 210.321 1.516 10 0 BDAERO [NH3+]C1CCC(Nc2ccc(Cl)nn2)CC1 ZINC000051694164 181342587 /nfs/dbraw/zinc/34/25/87/181342587.db2.gz VWKHQLGXGDQVBJ-UHFFFAOYSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+]C1CCN(C(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019267226 181343370 /nfs/dbraw/zinc/34/33/70/181343370.db2.gz ONVHDKKWACMUJU-QJPTWQEYSA-N 1 0 236.359 1.762 10 0 BDAERO [NH3+]Cc1csc(N2CCSCC2)n1 ZINC000070628766 361680942 /nfs/dbraw/zinc/68/09/42/361680942.db2.gz ILIKRECEXPXLOY-UHFFFAOYSA-N 1 0 215.347 1.155 10 0 BDAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2(O)C(F)(F)F ZINC000057218937 181345268 /nfs/dbraw/zinc/34/52/68/181345268.db2.gz XKQDOKGQFYNQFI-QPIHLSAKSA-N 1 0 223.238 1.817 10 0 BDAERO [NH3+]C1CN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000104315214 181345471 /nfs/dbraw/zinc/34/54/71/181345471.db2.gz IIVYLFYXGFYWDK-UHFFFAOYSA-N 1 0 240.306 1.552 10 0 BDAERO [NH3+]CC(=O)Cc1ccc(Br)cc1 ZINC000082351168 181347751 /nfs/dbraw/zinc/34/77/51/181347751.db2.gz LLNUXEQYIBSHQJ-UHFFFAOYSA-N 1 0 228.089 1.519 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000328245843 363865509 /nfs/dbraw/zinc/86/55/09/363865509.db2.gz MTSOKCRNZRKLFG-NWDGAFQWSA-N 1 0 245.363 1.321 10 0 BDAERO [NH3+]CC(=O)NCCCOc1ccccc1Cl ZINC000041287483 181351238 /nfs/dbraw/zinc/35/12/38/181351238.db2.gz MPTWNQCOINUENW-UHFFFAOYSA-N 1 0 242.706 1.184 10 0 BDAERO Cc1cc(COC2CC[NH2+]CC2)ccn1 ZINC000204310202 363951133 /nfs/dbraw/zinc/95/11/33/363951133.db2.gz CAOBKYBLPZDCOI-UHFFFAOYSA-N 1 0 206.289 1.659 10 0 BDAERO COCC[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000081711744 541326192 /nfs/dbraw/zinc/32/61/92/541326192.db2.gz WRBBWBMMDWKDCB-WHXUTIOJSA-N 1 0 228.336 1.045 10 0 BDAERO Cc1csc2nc(C)c(/C=C\C[NH3+])n12 ZINC000214911963 363969810 /nfs/dbraw/zinc/96/98/10/363969810.db2.gz WBFHXBQYLKXOIF-ARJAWSKDSA-N 1 0 207.302 1.985 10 0 BDAERO CCC(CC)C(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359202 364076252 /nfs/dbraw/zinc/07/62/52/364076252.db2.gz DQXKLKWKRSFQAI-AAEUAGOBSA-N 1 0 242.363 1.387 10 0 BDAERO CO[C@H]1CN(Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630355749 364076991 /nfs/dbraw/zinc/07/69/91/364076991.db2.gz KIZIYTYRXCUOOD-KGLIPLIRSA-N 1 0 234.343 1.625 10 0 BDAERO CCCCOCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630361155 364080620 /nfs/dbraw/zinc/08/06/20/364080620.db2.gz IMWMPAYJFUUESG-QWHCGFSZSA-N 1 0 244.379 1.241 10 0 BDAERO [NH3+]CC(=O)Nc1cccc2c(O)cccc12 ZINC000037040569 181355335 /nfs/dbraw/zinc/35/53/35/181355335.db2.gz HNKPSJUYGKDOHA-UHFFFAOYSA-N 1 0 216.240 1.443 10 0 BDAERO [NH3+]CC(=O)Nc1cc(F)cc(F)c1F ZINC000061118821 181355843 /nfs/dbraw/zinc/35/58/43/181355843.db2.gz YILFWTQXCLJQOU-UHFFFAOYSA-N 1 0 204.151 1.001 10 0 BDAERO CCC(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263637 541336985 /nfs/dbraw/zinc/33/69/85/541336985.db2.gz XTTUGECBSOPDOY-DYEKYZERSA-N 1 0 236.359 1.777 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000725263575 541336319 /nfs/dbraw/zinc/33/63/19/541336319.db2.gz RMPWDDMMCCPGKL-VXGBXAGGSA-N 1 0 241.379 1.801 10 0 BDAERO CCC(=O)N1CCC[C@H]([C@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263639 541336365 /nfs/dbraw/zinc/33/63/65/541336365.db2.gz XTTUGECBSOPDOY-OBJOEFQTSA-N 1 0 236.359 1.777 10 0 BDAERO Cc1nc(NCC2([NH3+])CCOCC2)sc1C ZINC000630524901 364212475 /nfs/dbraw/zinc/21/24/75/364212475.db2.gz ZODPXHIFBQJZNQ-UHFFFAOYSA-N 1 0 241.360 1.102 10 0 BDAERO Cc1cnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)nc1C ZINC000630532279 364221806 /nfs/dbraw/zinc/22/18/06/364221806.db2.gz HGWXHDCOIJIAQP-MWLCHTKSSA-N 1 0 220.320 1.646 10 0 BDAERO Clc1cnc(N[C@@H]2CC[NH2+]C2)s1 ZINC000630545078 364240332 /nfs/dbraw/zinc/24/03/32/364240332.db2.gz JBWWSAQDQUDVHM-RXMQYKEDSA-N 1 0 203.698 1.570 10 0 BDAERO CCOc1cncc(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000630546190 364241039 /nfs/dbraw/zinc/24/10/39/364241039.db2.gz URGKWIYEIZUQRO-DTWKUNHWSA-N 1 0 222.292 1.038 10 0 BDAERO [NH3+]CC1(NC(=O)N2CCCC2)CCCC1 ZINC000082641711 181360986 /nfs/dbraw/zinc/36/09/86/181360986.db2.gz PAYHZTNIFDWMTJ-UHFFFAOYSA-N 1 0 211.309 1.063 10 0 BDAERO CCc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)nc(C)n1 ZINC000630552338 364246290 /nfs/dbraw/zinc/24/62/90/364246290.db2.gz CYAIBYQSEDVVPQ-ONGXEEELSA-N 1 0 234.347 1.378 10 0 BDAERO C[C@H]1CN(c2ncnc3c2CCCC3)C[C@H]1C[NH3+] ZINC000630553822 364249476 /nfs/dbraw/zinc/24/94/76/364249476.db2.gz LRMMIWFQPHJHEY-WDEREUQCSA-N 1 0 246.358 1.386 10 0 BDAERO CCc1csc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630555015 364253062 /nfs/dbraw/zinc/25/30/62/364253062.db2.gz YAWVBKDPOPYINE-BDAKNGLRSA-N 1 0 225.361 1.737 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2ncc(F)cn2)CC1 ZINC000630557686 364256061 /nfs/dbraw/zinc/25/60/61/364256061.db2.gz RYEHIIKEZNHBJI-CZMCAQCFSA-N 1 0 224.283 1.545 10 0 BDAERO C[C@H]1CN(c2ncccc2F)C[C@@H]1C[NH3+] ZINC000630571768 364266928 /nfs/dbraw/zinc/26/69/28/364266928.db2.gz PNSOTDRBTVVHCV-IUCAKERBSA-N 1 0 209.268 1.252 10 0 BDAERO Cc1cnc(C)c(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630571777 364267041 /nfs/dbraw/zinc/26/70/41/364267041.db2.gz PTPKZQIWMRFNRC-KCJUWKMLSA-N 1 0 220.320 1.124 10 0 BDAERO COc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)ncn1 ZINC000630531780 364225077 /nfs/dbraw/zinc/22/50/77/364225077.db2.gz DEMGCTJOJWEUIO-DTWKUNHWSA-N 1 0 222.292 1.038 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2ncccc2F)C[NH2+]1 ZINC000630534332 364228025 /nfs/dbraw/zinc/22/80/25/364228025.db2.gz JVHRPSZDFBJODY-RKDXNWHRSA-N 1 0 209.268 1.773 10 0 BDAERO CCc1ncnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c1F ZINC000630535328 364229794 /nfs/dbraw/zinc/22/97/94/364229794.db2.gz TXFGLVGAVPKXBW-RKDXNWHRSA-N 1 0 238.310 1.731 10 0 BDAERO [NH3+]CC1(c2ccc(Cl)s2)OCCCO1 ZINC000057522990 181362826 /nfs/dbraw/zinc/36/28/26/181362826.db2.gz SNNJZUKMBVSHSX-UHFFFAOYSA-N 1 0 233.720 1.950 10 0 BDAERO [NH3+]CC1(c2ccccc2)CCC(O)CC1 ZINC000016849955 181362963 /nfs/dbraw/zinc/36/29/63/181362963.db2.gz MHJFMILGCWFNPG-UHFFFAOYSA-N 1 0 205.301 1.818 10 0 BDAERO CCc1nsc(N[C@H](C)CC[NH3+])n1 ZINC000134270338 364396927 /nfs/dbraw/zinc/39/69/27/364396927.db2.gz RVLYJGZPNNXMAR-ZCFIWIBFSA-N 1 0 200.311 1.250 10 0 BDAERO CCOc1cncc(N[C@@H](C)CC[NH3+])n1 ZINC000134270364 364397013 /nfs/dbraw/zinc/39/70/13/364397013.db2.gz JCMXIGVSSCOTCE-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BDAERO C[C@@H](CC[NH3+])Nc1ncnc2ccsc21 ZINC000134272807 364397488 /nfs/dbraw/zinc/39/74/88/364397488.db2.gz DDVQKJZBKRFQKF-ZETCQYMHSA-N 1 0 222.317 1.841 10 0 BDAERO CCOC(=O)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000134393526 364401959 /nfs/dbraw/zinc/40/19/59/364401959.db2.gz HAGWNUAVLYZRCR-ZJUUUORDSA-N 1 0 215.293 1.097 10 0 BDAERO CC(C)[NH+]1CCC(NC(=O)N[C@H]2C[C@H]2C)CC1 ZINC000170836857 364446469 /nfs/dbraw/zinc/44/64/69/364446469.db2.gz OQACSLKQFFLMFS-PWSUYJOCSA-N 1 0 239.363 1.567 10 0 BDAERO Cc1nc(C)c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)o1 ZINC000311700389 541362146 /nfs/dbraw/zinc/36/21/46/541362146.db2.gz RRRQGFXESFCQMD-GXFFZTMASA-N 1 0 249.358 1.960 10 0 BDAERO CCC(C)(C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868326 364546667 /nfs/dbraw/zinc/54/66/67/364546667.db2.gz JMCLOGABHFUBQA-JTQLQIEISA-N 1 0 212.337 1.585 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC1 ZINC000246805171 364610353 /nfs/dbraw/zinc/61/03/53/364610353.db2.gz BXEDIAIQMDAFOF-ONGXEEELSA-N 1 0 208.305 1.092 10 0 BDAERO CC(C)[C@@H]1C[C@@](O)([C@H](C)C[NH3+])CCO1 ZINC000252638933 364679688 /nfs/dbraw/zinc/67/96/88/364679688.db2.gz JFSOFNDNZIPLIW-OUAUKWLOSA-N 1 0 201.310 1.147 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COCC ZINC000300381175 541374309 /nfs/dbraw/zinc/37/43/09/541374309.db2.gz JAQVISZIOWFBQA-MXWKQRLJSA-N 1 0 201.310 1.162 10 0 BDAERO [NH3+]CCC(=O)c1ccc(Br)cc1 ZINC000036161962 181369681 /nfs/dbraw/zinc/36/96/81/181369681.db2.gz JBOQIEZVPTWNKI-UHFFFAOYSA-N 1 0 228.089 1.981 10 0 BDAERO [NH3+]CCC(=O)OCCc1cccc(Cl)c1 ZINC000077341889 181369935 /nfs/dbraw/zinc/36/99/35/181369935.db2.gz ZRKMFYJLWJKBNL-UHFFFAOYSA-N 1 0 227.691 1.775 10 0 BDAERO Cc1ccc(N)c(N(C)CCC[NH+](C)C)c1 ZINC000087150205 364765551 /nfs/dbraw/zinc/76/55/51/364765551.db2.gz ZIODNDNIISGLQS-UHFFFAOYSA-N 1 0 221.348 1.965 10 0 BDAERO [NH3+]CCCCCNOCc1ccccc1 ZINC000038271798 181375334 /nfs/dbraw/zinc/37/53/34/181375334.db2.gz WLGYQCPSHWDABN-UHFFFAOYSA-N 1 0 208.305 1.837 10 0 BDAERO OCC1(C[NH2+][C@@H]2CCCC[C@H]2O)CCCC1 ZINC000168635068 364973058 /nfs/dbraw/zinc/97/30/58/364973058.db2.gz MWQNHRZWNYHCFZ-VXGBXAGGSA-N 1 0 227.348 1.432 10 0 BDAERO [NH3+]CCCN(C(=O)c1ccc(O)cc1)C1CC1 ZINC000036731415 181379562 /nfs/dbraw/zinc/37/95/62/181379562.db2.gz CUEIAQPDIFQQAT-UHFFFAOYSA-N 1 0 234.299 1.346 10 0 BDAERO CCOc1nccnc1N1CCC(C[NH3+])CC1 ZINC000574181380 365005603 /nfs/dbraw/zinc/00/56/03/365005603.db2.gz CIFDUGYEXHGLLF-UHFFFAOYSA-N 1 0 236.319 1.050 10 0 BDAERO COC(=O)C1(C[NH3+])CC2(C1)CCCCC2 ZINC000083166234 541449979 /nfs/dbraw/zinc/44/99/79/541449979.db2.gz DGJKVOYNJFVLHR-UHFFFAOYSA-N 1 0 211.305 1.849 10 0 BDAERO [NH3+]CCN1CCCN(Cc2ccccc2)C1=O ZINC000082342918 181391886 /nfs/dbraw/zinc/39/18/86/181391886.db2.gz RCQYJXPTAFANNL-UHFFFAOYSA-N 1 0 233.315 1.273 10 0 BDAERO [NH3+]C[C@H]1CCCCCN1C(=O)CC1CC1 ZINC000125047766 541450862 /nfs/dbraw/zinc/45/08/62/541450862.db2.gz MWFYVLPFJMQYQK-LLVKDONJSA-N 1 0 210.321 1.516 10 0 BDAERO [NH3+]CCCNC(=O)c1cnc2ccccc2c1 ZINC000169832688 181382503 /nfs/dbraw/zinc/38/25/03/181382503.db2.gz DXEIYJKWHGDGQM-UHFFFAOYSA-N 1 0 229.283 1.313 10 0 BDAERO [NH3+]CCCOCc1ccc2c(c1)OCO2 ZINC000019404874 181384533 /nfs/dbraw/zinc/38/45/33/181384533.db2.gz MBCDNRQMWIIHAE-UHFFFAOYSA-N 1 0 209.245 1.281 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000252647886 541451284 /nfs/dbraw/zinc/45/12/84/541451284.db2.gz UVPRFIUXYUBEJI-MCIONIFRSA-N 1 0 240.391 1.875 10 0 BDAERO [NH3+]CCCc1nc(-c2cccc(O)c2)no1 ZINC000020268739 181387103 /nfs/dbraw/zinc/38/71/03/181387103.db2.gz JYKKHMNXBPNMHO-UHFFFAOYSA-N 1 0 219.244 1.334 10 0 BDAERO [NH3+]CCCc1nnc(-c2cccc(F)c2F)o1 ZINC000054215324 181388026 /nfs/dbraw/zinc/38/80/26/181388026.db2.gz ZFJICEJWCRBSEX-UHFFFAOYSA-N 1 0 239.225 1.906 10 0 BDAERO [NH3+]CCCc1noc(-c2ccc(F)cc2F)n1 ZINC000054139155 181388320 /nfs/dbraw/zinc/38/83/20/181388320.db2.gz MDIFRTAGVZUJML-UHFFFAOYSA-N 1 0 239.225 1.906 10 0 BDAERO [NH3+]CCCn1cc(-c2ccccc2)cn1 ZINC000049812297 181388944 /nfs/dbraw/zinc/38/89/44/181388944.db2.gz ICRWIFWHRYLMKN-UHFFFAOYSA-N 1 0 201.273 1.899 10 0 BDAERO [NH3+]CCCn1cc(Br)c(C2CC2)n1 ZINC000020313267 181389810 /nfs/dbraw/zinc/38/98/10/181389810.db2.gz QMBVBOOSDOHBGP-UHFFFAOYSA-N 1 0 244.136 1.872 10 0 BDAERO [NH3+]CCN(C(=O)[C@@H]1CCCO1)C1CCCCC1 ZINC000020183521 181390078 /nfs/dbraw/zinc/39/00/78/181390078.db2.gz BXWGQOHFQXRNNB-LBPRGKRZSA-N 1 0 240.347 1.285 10 0 BDAERO [NH3+]CCNC(=O)c1cc(F)cc(Cl)c1 ZINC000307328054 181395386 /nfs/dbraw/zinc/39/53/86/181395386.db2.gz VHGSBSKCIIUCTH-UHFFFAOYSA-N 1 0 216.643 1.168 10 0 BDAERO [NH3+]CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000237883822 181395645 /nfs/dbraw/zinc/39/56/45/181395645.db2.gz UPMGCRAHIGMBBC-WDEREUQCSA-N 1 0 238.718 1.518 10 0 BDAERO [NH3+]CCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000037712734 181396686 /nfs/dbraw/zinc/39/66/86/181396686.db2.gz UMTZHYZOGDYRIB-UHFFFAOYSA-N 1 0 242.706 1.160 10 0 BDAERO [NH3+]CCNc1nc(-c2ccco2)nc2c1CCC2 ZINC000057328658 181398320 /nfs/dbraw/zinc/39/83/20/181398320.db2.gz BVPPDCYKIYADNR-UHFFFAOYSA-N 1 0 244.298 1.596 10 0 BDAERO [NH3+]CCOCCOc1ccc2ncccc2c1 ZINC000041258887 181399436 /nfs/dbraw/zinc/39/94/36/181399436.db2.gz ZAQKCERXIRRQQT-UHFFFAOYSA-N 1 0 232.283 1.589 10 0 BDAERO [NH3+]C[C@@H](c1ccncc1)N1CCCCCC1 ZINC000032021372 181426095 /nfs/dbraw/zinc/42/60/95/181426095.db2.gz XTECSTIGLPSGNR-ZDUSSCGKSA-N 1 0 219.332 1.957 10 0 BDAERO COCCN1CC[N@@H+]([C@H]2C=CCCC2)C[C@H]1C ZINC000171746160 365232697 /nfs/dbraw/zinc/23/26/97/365232697.db2.gz BXVPQJYLUNJPCG-KGLIPLIRSA-N 1 0 238.375 1.748 10 0 BDAERO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[C@H]1O ZINC000575991803 365438947 /nfs/dbraw/zinc/43/89/47/365438947.db2.gz DRGYYRJSCAODIB-QNWHQSFQSA-N 1 0 227.348 1.383 10 0 BDAERO CC(C)c1nnc(CN(C)C2CCC2)n1C ZINC000173915817 365454903 /nfs/dbraw/zinc/45/49/03/365454903.db2.gz LNGXCMMBSRKGOM-UHFFFAOYSA-N 1 0 222.336 1.923 10 0 BDAERO C[C@H]([NH3+])[C@@H]1COc2c(ccc(F)c2F)C1 ZINC000675063360 541464667 /nfs/dbraw/zinc/46/46/67/541464667.db2.gz CYLNATGWUMGADD-XPUUQOCRSA-N 1 0 213.227 1.863 10 0 BDAERO C[C@H](F)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000564859963 325819044 /nfs/dbraw/zinc/81/90/44/325819044.db2.gz LATCRSIYUYEHHP-QWRGUYRKSA-N 1 0 245.294 1.495 10 0 BDAERO C[C@H]1CC([NH2+][C@@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000185168520 367123426 /nfs/dbraw/zinc/12/34/26/367123426.db2.gz FIWNWVAJHVEDQW-YRRQLQLVSA-N 1 0 227.348 1.836 10 0 BDAERO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(N(C)C)cc1 ZINC000381355717 367386499 /nfs/dbraw/zinc/38/64/99/367386499.db2.gz IZXICGBIEGWRQU-UWVGGRQHSA-N 1 0 235.331 1.218 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1ccnc2cccnc21 ZINC000381359680 367387247 /nfs/dbraw/zinc/38/72/47/367387247.db2.gz KAGDDPXFLMDHCR-IUCAKERBSA-N 1 0 216.288 1.199 10 0 BDAERO Cc1cnc(N[C@H]2CC[C@H](C[NH3+])C2)nc1C ZINC000382450129 367526700 /nfs/dbraw/zinc/52/67/00/367526700.db2.gz MJTMZNMBTIHWLI-QWRGUYRKSA-N 1 0 220.320 1.633 10 0 BDAERO COc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)ncn1 ZINC000382549873 367537279 /nfs/dbraw/zinc/53/72/79/367537279.db2.gz ZZHFIROUPVYWOP-BDAKNGLRSA-N 1 0 222.292 1.025 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382231918 367499490 /nfs/dbraw/zinc/49/94/90/367499490.db2.gz VIWZBFGDRLYKAK-SYFKIGIZSA-N 1 0 238.375 1.925 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000382403023 367516349 /nfs/dbraw/zinc/51/63/49/367516349.db2.gz QWDXHNGZDJWCBY-XKAARJIMSA-N 1 0 224.348 1.236 10 0 BDAERO CCOC(=O)c1ccc(N(C)[C@H](C)C[NH3+])nc1 ZINC000383024976 367587243 /nfs/dbraw/zinc/58/72/43/367587243.db2.gz XTKFXKWSODSSLU-SECBINFHSA-N 1 0 237.303 1.042 10 0 BDAERO [NH3+]CC[C@@H](Nc1nc2ccccc2[nH]1)C(F)F ZINC000383241335 367608309 /nfs/dbraw/zinc/60/83/09/367608309.db2.gz BRBGBSYPMWSZCG-SECBINFHSA-N 1 0 240.257 1.957 10 0 BDAERO COc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000383377135 367618535 /nfs/dbraw/zinc/61/85/35/367618535.db2.gz ZZMTXPYQMICTBX-VXGBXAGGSA-N 1 0 236.315 1.483 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)C[C@H]12 ZINC000581665569 367664840 /nfs/dbraw/zinc/66/48/40/367664840.db2.gz TVOOLIHRONIHPN-KGYLQXTDSA-N 1 0 248.370 1.762 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCCOCC1 ZINC000383987000 367666487 /nfs/dbraw/zinc/66/64/87/367666487.db2.gz KUPLVOFRQGEFLE-VXGBXAGGSA-N 1 0 240.347 1.061 10 0 BDAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000384142847 367673170 /nfs/dbraw/zinc/67/31/70/367673170.db2.gz NOKKZCPACYKREF-GHMZBOCLSA-N 1 0 244.379 1.288 10 0 BDAERO CC[C@@H](C)NC(=O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000384142848 367673510 /nfs/dbraw/zinc/67/35/10/367673510.db2.gz NOKKZCPACYKREF-MNOVXSKESA-N 1 0 244.379 1.288 10 0 BDAERO CCN(CC1CC1)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384334881 367685882 /nfs/dbraw/zinc/68/58/82/367685882.db2.gz BFWGCXCWJOXFHP-JQWIXIFHSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000566099245 325994316 /nfs/dbraw/zinc/99/43/16/325994316.db2.gz FABSYDYQURMEBP-ADPBJBESSA-N 1 0 224.348 1.761 10 0 BDAERO CN(c1ccc(OC(F)F)cn1)C1CC([NH3+])C1 ZINC000384738370 367723983 /nfs/dbraw/zinc/72/39/83/367723983.db2.gz LHQYSLYXMWXBTO-UHFFFAOYSA-N 1 0 243.257 1.609 10 0 BDAERO CCCCOCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384851041 367742468 /nfs/dbraw/zinc/74/24/68/367742468.db2.gz LADGOPBMWHWEQI-NEPJUHHUSA-N 1 0 215.337 1.648 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000384908383 367754791 /nfs/dbraw/zinc/75/47/91/367754791.db2.gz YAWLEXWMJKIFFW-MNOVXSKESA-N 1 0 243.347 1.563 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCOCC(F)(F)F ZINC000385041024 367777663 /nfs/dbraw/zinc/77/76/63/367777663.db2.gz REPWJGIGIHEGBW-IUCAKERBSA-N 1 0 241.253 1.411 10 0 BDAERO COC1(CC[N@@H+]2CCC[C@H](O)[C@@H]2C)CCC1 ZINC000385043370 367778424 /nfs/dbraw/zinc/77/84/24/367778424.db2.gz RPHLOXFGYHVHQA-RYUDHWBXSA-N 1 0 227.348 1.791 10 0 BDAERO Cc1cnc(N[C@H]2CCC[NH2+][C@@H]2C)nc1C ZINC000386462774 367976977 /nfs/dbraw/zinc/97/69/77/367976977.db2.gz NNRYHWPQUMWHEE-MNOVXSKESA-N 1 0 220.320 1.646 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(c2ncc(C)c(C)n2)C1 ZINC000386610785 368002207 /nfs/dbraw/zinc/00/22/07/368002207.db2.gz BQTZZSBPOYTNCU-LBPRGKRZSA-N 1 0 234.347 1.529 10 0 BDAERO CC[C@@H]1CN(c2ncccc2OC)CC[C@H]1[NH3+] ZINC000252764315 368053388 /nfs/dbraw/zinc/05/33/88/368053388.db2.gz FGXRXWLZZUQSJG-GHMZBOCLSA-N 1 0 235.331 1.654 10 0 BDAERO C[C@@H]1CCSC[C@@H]([C@H]2CCOC2)[NH2+]1 ZINC000252839078 368162073 /nfs/dbraw/zinc/16/20/73/368162073.db2.gz ZSTMLSYDSNSYTL-UTLUCORTSA-N 1 0 201.335 1.507 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000399502146 368169916 /nfs/dbraw/zinc/16/99/16/368169916.db2.gz JARPNCURCBNAGW-NXEZZACHSA-N 1 0 214.353 1.735 10 0 BDAERO CSC(C)(C)C[N@@H+]1C[C@H](C)NC[C@H]1C ZINC000252968173 368171881 /nfs/dbraw/zinc/17/18/81/368171881.db2.gz YKFFVBQNWCWABW-VHSXEESVSA-N 1 0 216.394 1.810 10 0 BDAERO C[C@H]1SCCN(CC(C)(C)[NH3+])[C@H]1C ZINC000252978330 368176522 /nfs/dbraw/zinc/17/65/22/368176522.db2.gz BIALTCZHXRCAKJ-DTWKUNHWSA-N 1 0 202.367 1.550 10 0 BDAERO C[C@@H]1CN([C@@H]2CCC[C@H]2[NH3+])CCS1 ZINC000252979837 368177413 /nfs/dbraw/zinc/17/74/13/368177413.db2.gz JRXRBAVALWAJLX-OPRDCNLKSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@H](CN1CN=NC1=S)[NH+]1CCCC1 ZINC000161394170 368142614 /nfs/dbraw/zinc/14/26/14/368142614.db2.gz YZMWODOFASHSMS-MRVPVSSYSA-N 1 0 212.322 1.051 10 0 BDAERO [NH3+][C@H]1CCCN(C[C@H]2CSCCS2)C1 ZINC000253011780 368276620 /nfs/dbraw/zinc/27/66/20/368276620.db2.gz CSSNGGKVLJUWDT-UWVGGRQHSA-N 1 0 232.418 1.258 10 0 BDAERO CC[NH+](CC)CCN(C)C(=O)c1cccc(N)c1 ZINC000224789001 368367726 /nfs/dbraw/zinc/36/77/26/368367726.db2.gz VYCGPYUWHPXJOE-UHFFFAOYSA-N 1 0 249.358 1.683 10 0 BDAERO CC(C)(C)OC(=O)c1ccnc(CCC[NH3+])c1 ZINC000199787968 368353727 /nfs/dbraw/zinc/35/37/27/368353727.db2.gz IUFLARNQZZOHHS-UHFFFAOYSA-N 1 0 236.315 1.928 10 0 BDAERO CC(C)OC[C@@H](O)C[NH2+]C[C@H](C)C(C)C ZINC000081057789 368572094 /nfs/dbraw/zinc/57/20/94/368572094.db2.gz XCHMFVMSPNAZPK-RYUDHWBXSA-N 1 0 217.353 1.654 10 0 BDAERO Cc1cccc(C[NH2+]C[C@H]2CCCOC2)n1 ZINC000082581213 368694568 /nfs/dbraw/zinc/69/45/68/368694568.db2.gz HEMGBNXCKXOVFS-GFCCVEGCSA-N 1 0 220.316 1.906 10 0 BDAERO COc1cc(N2CC[C@H]([NH+](C)C)C2)ccc1N ZINC000111056193 368845605 /nfs/dbraw/zinc/84/56/05/368845605.db2.gz DTZQHVIYPYAMKA-NSHDSACASA-N 1 0 235.331 1.418 10 0 BDAERO COC(=O)c1ccc(N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000084574132 368857116 /nfs/dbraw/zinc/85/71/16/368857116.db2.gz UMLDOXCNVOGXDS-GHMZBOCLSA-N 1 0 248.326 1.660 10 0 BDAERO CC(C)N(CC1CC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012239 368860936 /nfs/dbraw/zinc/86/09/36/368860936.db2.gz QTLQDPNLYSKZJI-RYUDHWBXSA-N 1 0 224.348 1.761 10 0 BDAERO C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000112462559 368871893 /nfs/dbraw/zinc/87/18/93/368871893.db2.gz PLDDKXMLWYYSFO-MNOVXSKESA-N 1 0 241.379 1.767 10 0 BDAERO C[C@@H]1CN(c2ncnc3ccccc32)[C@H](C)C[NH2+]1 ZINC000086471404 368881484 /nfs/dbraw/zinc/88/14/84/368881484.db2.gz GHGUDXLUWJNPHP-GHMZBOCLSA-N 1 0 242.326 1.816 10 0 BDAERO C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122940 368889146 /nfs/dbraw/zinc/88/91/46/368889146.db2.gz XSQQHJAECRTDGP-QCNOEVLYSA-N 1 0 224.348 1.679 10 0 BDAERO C(c1nc([C@@H]2CCCO2)no1)[C@@H]1CCC[NH2+]C1 ZINC000087801414 368897832 /nfs/dbraw/zinc/89/78/32/368897832.db2.gz AXLJVPGTIYMFSR-UWVGGRQHSA-N 1 0 237.303 1.463 10 0 BDAERO CC1CCC(C[NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000623766318 369001574 /nfs/dbraw/zinc/00/15/74/369001574.db2.gz DJDJYXBDDGFWKE-IFWUJCSASA-N 1 0 227.348 1.552 10 0 BDAERO CCN(Cc1ccncc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091543705 369014123 /nfs/dbraw/zinc/01/41/23/369014123.db2.gz VCGXUYIDNGDULU-STQMWFEESA-N 1 0 247.342 1.558 10 0 BDAERO CN(C)c1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000091546634 369014294 /nfs/dbraw/zinc/01/42/94/369014294.db2.gz HTMGTDVGTBMJFD-NXEZZACHSA-N 1 0 248.330 1.214 10 0 BDAERO CC(C)n1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000091540666 369014618 /nfs/dbraw/zinc/01/46/18/369014618.db2.gz WGIVIOFQYUTUJC-ZJUUUORDSA-N 1 0 236.319 1.530 10 0 BDAERO Oc1cc(O)c2c(c1)C[C@@H]1[NH2+]CCC[C@H]1C2 ZINC000006091297 369031853 /nfs/dbraw/zinc/03/18/53/369031853.db2.gz DNVLPKQKAWFYMY-UFBFGSQYSA-N 1 0 219.284 1.565 10 0 BDAERO c1c(-c2ccccn2)n[nH]c1C1CC[NH2+]CC1 ZINC000115317703 368988590 /nfs/dbraw/zinc/98/85/90/368988590.db2.gz ZDUURWQMANASAD-UHFFFAOYSA-N 1 0 228.299 1.939 10 0 BDAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccncc1 ZINC000054686330 369087332 /nfs/dbraw/zinc/08/73/32/369087332.db2.gz FQSKTBDCCWZPBN-KGLIPLIRSA-N 1 0 228.295 1.685 10 0 BDAERO [NH3+]C[C@H]1CCCCN1Cc1nccnc1Cl ZINC000095072457 181458648 /nfs/dbraw/zinc/45/86/48/181458648.db2.gz HODVZLOMDRWIQK-SECBINFHSA-N 1 0 240.738 1.443 10 0 BDAERO CC(C)(C)[C@@H]1CN(CC[NH3+])CCCO1 ZINC000616680253 369111539 /nfs/dbraw/zinc/11/15/39/369111539.db2.gz QKHSFIDSWYGYNS-JTQLQIEISA-N 1 0 200.326 1.082 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cnco1 ZINC000616691433 369113206 /nfs/dbraw/zinc/11/32/06/369113206.db2.gz LDRSKXWYGHRIMK-GFCCVEGCSA-N 1 0 244.298 1.607 10 0 BDAERO [NH3+]C[C@H]1CCN(c2cccc(F)c2F)C1 ZINC000040230855 181464198 /nfs/dbraw/zinc/46/41/98/181464198.db2.gz TXIYTVOFFRDAKF-MRVPVSSYSA-N 1 0 212.243 1.750 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1CC(F)(F)C1 ZINC000336122210 181462356 /nfs/dbraw/zinc/46/23/56/181462356.db2.gz NLNLAPSNIIJXJX-VXNVDRBHSA-N 1 0 232.274 1.275 10 0 BDAERO [NH3+]Cc1cc(Cl)ccc1N1CC[C@@H](O)C1 ZINC000061709462 181476494 /nfs/dbraw/zinc/47/64/94/181476494.db2.gz SGIJLCVVCBQHOE-SNVBAGLBSA-N 1 0 226.707 1.370 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCC[C@@H]1CCOC1 ZINC000400686703 369352421 /nfs/dbraw/zinc/35/24/21/369352421.db2.gz XVRRHCLRLFJSNM-NEPJUHHUSA-N 1 0 229.364 1.800 10 0 BDAERO C[C@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCS1 ZINC000189110954 259540442 /nfs/dbraw/zinc/54/04/42/259540442.db2.gz QKZGZCJTDMOERL-JGVFFNPUSA-N 1 0 243.294 1.737 10 0 BDAERO c1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)cs1 ZINC000404194185 369422516 /nfs/dbraw/zinc/42/25/16/369422516.db2.gz MNDYMYXHFHJUIN-VXGBXAGGSA-N 1 0 238.356 1.311 10 0 BDAERO C(C1CCCCC1)[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404214740 369424212 /nfs/dbraw/zinc/42/42/12/369424212.db2.gz XUZGVUZRPKDJAJ-KGLIPLIRSA-N 1 0 238.375 1.629 10 0 BDAERO CCCCCNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057790024 369449574 /nfs/dbraw/zinc/44/95/74/369449574.db2.gz CYMSZIJRUNKMLS-GFCCVEGCSA-N 1 0 241.379 1.960 10 0 BDAERO [NH3+]Cc1cn(-c2cc(F)c(F)cc2F)nn1 ZINC000061095052 181491511 /nfs/dbraw/zinc/49/15/11/181491511.db2.gz SSOMKGWYXKBGTR-UHFFFAOYSA-N 1 0 228.177 1.143 10 0 BDAERO O[C@@H](c1nccs1)[C@H]1CCCCC[NH2+]1 ZINC000161533066 370134334 /nfs/dbraw/zinc/13/43/34/370134334.db2.gz INEDLXQPURNUAQ-RKDXNWHRSA-N 1 0 212.318 1.709 10 0 BDAERO Cc1nccnc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000621328051 370259544 /nfs/dbraw/zinc/25/95/44/370259544.db2.gz DTXDVUXFNIXBGH-CMPLNLGQSA-N 1 0 221.304 1.442 10 0 BDAERO CCOC1(C[NH2+]CC(C)(C)O)CCCC1 ZINC000310538552 370351721 /nfs/dbraw/zinc/35/17/21/370351721.db2.gz BMVFPKXTROZOFP-UHFFFAOYSA-N 1 0 215.337 1.696 10 0 BDAERO COC(=O)c1ccc(N2CC[C@H]([NH3+])[C@@H]2C)nc1C ZINC000310750369 370363340 /nfs/dbraw/zinc/36/33/40/370363340.db2.gz HZVXHDRVZXXMBR-ONGXEEELSA-N 1 0 249.314 1.103 10 0 BDAERO CC1CC(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000621672487 370424383 /nfs/dbraw/zinc/42/43/83/370424383.db2.gz GXXNHCHCHVKKIB-WFBLGPOFSA-N 1 0 210.321 1.276 10 0 BDAERO O=C(COC1CC[NH2+]CC1)OCc1ccccc1 ZINC000077252303 370404414 /nfs/dbraw/zinc/40/44/14/370404414.db2.gz ZZXHGTYIPHJFHE-UHFFFAOYSA-N 1 0 249.310 1.498 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCc1oc(C)nc1C ZINC000311860958 370441731 /nfs/dbraw/zinc/44/17/31/370441731.db2.gz ROWPJVOWYUPDCF-VIFPVBQESA-N 1 0 225.292 1.035 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2C[C@H]2CO)cc(C)c1O ZINC000378707477 371014471 /nfs/dbraw/zinc/01/44/71/371014471.db2.gz QTXHOCWGNSSOIQ-NWDGAFQWSA-N 1 0 221.300 1.479 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000623764430 371086316 /nfs/dbraw/zinc/08/63/16/371086316.db2.gz DVWLNKSLNBAQGM-STQMWFEESA-N 1 0 247.294 1.672 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)Cc1ccncn1 ZINC000054789963 181557234 /nfs/dbraw/zinc/55/72/34/181557234.db2.gz LBHDXLMXMSTOMF-LBPRGKRZSA-N 1 0 213.284 1.589 10 0 BDAERO [NH3+][C@@H](Cc1ccncc1)CC1CCOCC1 ZINC000060708880 181558535 /nfs/dbraw/zinc/55/85/35/181558535.db2.gz UJKSZIGKNIXUQZ-ZDUSSCGKSA-N 1 0 220.316 1.768 10 0 BDAERO COC[C@H](C)[NH2+]CCC(=O)N1CCC[C@@H]1C ZINC000390586103 371217206 /nfs/dbraw/zinc/21/72/06/371217206.db2.gz YFDMWJJXBNHKRT-QWRGUYRKSA-N 1 0 228.336 1.012 10 0 BDAERO CCCC[N@H+](CC)[C@H]1CCCCNC1=O ZINC000120390080 168800531 /nfs/dbraw/zinc/80/05/31/168800531.db2.gz SDMDSHZBNUCEEQ-NSHDSACASA-N 1 0 212.337 1.777 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)c1cncc(F)c1 ZINC000169242790 181575472 /nfs/dbraw/zinc/57/54/72/181575472.db2.gz LGCJLFGRVVWTFA-MNOVXSKESA-N 1 0 237.278 1.220 10 0 BDAERO [NH3+][C@H](Cc1ccncc1)C[C@@H]1CCCO1 ZINC000060708871 181627682 /nfs/dbraw/zinc/62/76/82/181627682.db2.gz SZVWTZXDGIVBBR-NEPJUHHUSA-N 1 0 206.289 1.521 10 0 BDAERO [NH3+][C@H]1CCc2ccc(Br)cc2[C@H]1O ZINC000008699436 181655474 /nfs/dbraw/zinc/65/54/74/181655474.db2.gz PAOFPNNUNGEWLK-VHSXEESVSA-N 1 0 242.116 1.756 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccoc1 ZINC000038048981 181641010 /nfs/dbraw/zinc/64/10/10/181641010.db2.gz ZFYXCGPRRDLEIV-UWVGGRQHSA-N 1 0 208.261 1.279 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cccs1 ZINC000038048920 181642771 /nfs/dbraw/zinc/64/27/71/181642771.db2.gz BGJJVELJAGCHGD-DTWKUNHWSA-N 1 0 224.329 1.748 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@@H]2CCO[C@H]21 ZINC000624217808 371405994 /nfs/dbraw/zinc/40/59/94/371405994.db2.gz JGTVTKGEEWAMKP-RNWYCLNJSA-N 1 0 225.332 1.160 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000624236160 371423426 /nfs/dbraw/zinc/42/34/26/371423426.db2.gz XLRYRKYMZZDPCZ-IHRRRGAJSA-N 1 0 235.327 1.877 10 0 BDAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624236120 371423816 /nfs/dbraw/zinc/42/38/16/371423816.db2.gz WLPZRRIGPJJZIM-AXFHLTTASA-N 1 0 201.310 1.160 10 0 BDAERO Nc1cccc2c1CCN(CC[NH+]1CCCC1)C2 ZINC000038032902 181748964 /nfs/dbraw/zinc/74/89/64/181748964.db2.gz HCZNXVYHAIVYBM-UHFFFAOYSA-N 1 0 245.370 1.723 10 0 BDAERO CC(C)SCC(=O)N1CCC[C@H]1C[NH3+] ZINC000215461312 371555319 /nfs/dbraw/zinc/55/53/19/371555319.db2.gz FWAORYYRBBUFIU-VIFPVBQESA-N 1 0 216.350 1.078 10 0 BDAERO [NH3+]CC1([C@H](O)c2nccs2)CCCC1 ZINC000161783552 371564039 /nfs/dbraw/zinc/56/40/39/371564039.db2.gz UFXBTNXNIYUTDU-MRVPVSSYSA-N 1 0 212.318 1.696 10 0 BDAERO C[C@H]([NH3+])Cc1csc(N2CCCC2)n1 ZINC000028509334 371610840 /nfs/dbraw/zinc/61/08/40/371610840.db2.gz HJAYMBZNWSOLMB-QMMMGPOBSA-N 1 0 211.334 1.633 10 0 BDAERO [NH3+][C@@H]1CCCCC[C@H]1Oc1ncns1 ZINC000131577758 371627291 /nfs/dbraw/zinc/62/72/91/371627291.db2.gz BJANQPNODFBRDE-HTQZYQBOSA-N 1 0 213.306 1.577 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1Oc1ccc(Cl)nn1 ZINC000131672137 371647618 /nfs/dbraw/zinc/64/76/18/371647618.db2.gz NJGQCJNJRPGUJR-RNFRBKRXSA-N 1 0 213.668 1.389 10 0 BDAERO C[C@@]([NH3+])(CO)c1ccc(Br)cn1 ZINC000215894464 371655679 /nfs/dbraw/zinc/65/56/79/371655679.db2.gz XNBQHWRFTQLLAM-MRVPVSSYSA-N 1 0 231.093 1.010 10 0 BDAERO Cc1nsc(O[C@H]2CCCC[C@H]2[NH3+])n1 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OAYORRQTVTWJCI-LBPRGKRZSA-N 1 0 235.331 1.198 10 0 BDAERO OCCC[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043477280 183058697 /nfs/dbraw/zinc/05/86/97/183058697.db2.gz QRFSSSMAICGMPT-UHFFFAOYSA-N 1 0 215.680 1.518 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000063224174 183064089 /nfs/dbraw/zinc/06/40/89/183064089.db2.gz ZKOHAKIAGFAHQJ-CQSZACIVSA-N 1 0 234.343 1.861 10 0 BDAERO OCC[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095078846 183090774 /nfs/dbraw/zinc/09/07/74/183090774.db2.gz VMVQZNDTDYGTMP-HUUCEWRRSA-N 1 0 249.354 1.642 10 0 BDAERO OCC[C@@H]1CCCC[N@@H+]1Cc1cncnc1 ZINC000128019173 183093403 /nfs/dbraw/zinc/09/34/03/183093403.db2.gz KTVRJVZOGARTGM-LBPRGKRZSA-N 1 0 221.304 1.214 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000164264184 183117277 /nfs/dbraw/zinc/11/72/77/183117277.db2.gz AMDDSCNMPHCSLE-QWHCGFSZSA-N 1 0 220.316 1.722 10 0 BDAERO CCCC[C@H]([NH3+])c1csc(S(N)(=O)=O)c1 ZINC000013736790 169008948 /nfs/dbraw/zinc/00/89/48/169008948.db2.gz MBEQHZLHLIYHMF-QMMMGPOBSA-N 1 0 248.373 1.586 10 0 BDAERO OCC[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000336651629 183098114 /nfs/dbraw/zinc/09/81/14/183098114.db2.gz VNDGYTLFEZOKDS-LLVKDONJSA-N 1 0 213.321 1.117 10 0 BDAERO OCC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000255977517 183098181 /nfs/dbraw/zinc/09/81/81/183098181.db2.gz HUMGKMRJPBDUAZ-ZSOGYDGISA-N 1 0 217.312 1.747 10 0 BDAERO OC[C@@H](Cc1ccccc1)[NH2+]CC1CCOCC1 ZINC000063219001 183106351 /nfs/dbraw/zinc/10/63/51/183106351.db2.gz KBGBCBXDGCGRSY-OAHLLOKOSA-N 1 0 249.354 1.606 10 0 BDAERO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc[nH]1 ZINC000063218929 183106756 /nfs/dbraw/zinc/10/67/56/183106756.db2.gz GXAHSYKZDDPFMF-CQSZACIVSA-N 1 0 230.311 1.708 10 0 BDAERO OC[C@@H]1[NH2+]CCc2c(F)c(Cl)ccc21 ZINC000075708321 183131678 /nfs/dbraw/zinc/13/16/78/183131678.db2.gz RRIJTKUIOCCQQF-VIFPVBQESA-N 1 0 215.655 1.658 10 0 BDAERO OC[C@@]1(C[N@@H+]2CCc3ccccc3C2)CCOC1 ZINC000051292294 183135161 /nfs/dbraw/zinc/13/51/61/183135161.db2.gz OAMOSXXSCHFSHJ-HNNXBMFYSA-N 1 0 247.338 1.444 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cncnc1 ZINC000152311729 183149312 /nfs/dbraw/zinc/14/93/12/183149312.db2.gz YIMBMEVGHLGRJE-VXGBXAGGSA-N 1 0 221.304 1.117 10 0 BDAERO OC[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000085576503 183152769 /nfs/dbraw/zinc/15/27/69/183152769.db2.gz PBVULJQJRFZZBL-AAEUAGOBSA-N 1 0 217.312 1.641 10 0 BDAERO CCCN(C(=O)[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000037541585 169045378 /nfs/dbraw/zinc/04/53/78/169045378.db2.gz RQYZYDJMDDUTLJ-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO OC[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000259064890 183155962 /nfs/dbraw/zinc/15/59/62/183155962.db2.gz BIKBHUDHMNGGCZ-NXEZZACHSA-N 1 0 227.254 1.650 10 0 BDAERO OC[C@H]1[NH2+]CCc2c(F)cc(Cl)cc21 ZINC000075662592 183156421 /nfs/dbraw/zinc/15/64/21/183156421.db2.gz PJBBOQGTVCSMSR-SNVBAGLBSA-N 1 0 215.655 1.658 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)Cc1ccc(Cl)cc1 ZINC000071532644 183178353 /nfs/dbraw/zinc/17/83/53/183178353.db2.gz PBSFGWYBHBKMDS-GFCCVEGCSA-N 1 0 225.719 1.995 10 0 BDAERO CCCN(C(=O)c1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000104336172 169047475 /nfs/dbraw/zinc/04/74/75/169047475.db2.gz SDITXHFIFBMHOS-LBPRGKRZSA-N 1 0 247.342 1.686 10 0 BDAERO O[C@@H](C[NH2+]C1CCOCC1)COC1CCCC1 ZINC000037893015 183179473 /nfs/dbraw/zinc/17/94/73/183179473.db2.gz MXFNRTMPJNLFCZ-LBPRGKRZSA-N 1 0 243.347 1.075 10 0 BDAERO CCCN(C(=O)c1ccoc1)[C@H]1CCC[NH2+]C1 ZINC000037541605 169047948 /nfs/dbraw/zinc/04/79/48/169047948.db2.gz DUKVUQGNOCXRTN-LBPRGKRZSA-N 1 0 236.315 1.884 10 0 BDAERO CCCN(C(=O)c1ccco1)[C@H]1CCC[NH2+]C1 ZINC000037541629 169048246 /nfs/dbraw/zinc/04/82/46/169048246.db2.gz GMPLQICALMMIML-NSHDSACASA-N 1 0 236.315 1.884 10 0 BDAERO O[C@@H](C[NH2+]Cc1ccncc1)c1cccs1 ZINC000033465177 183180574 /nfs/dbraw/zinc/18/05/74/183180574.db2.gz UAEFFRDTBZINNG-NSHDSACASA-N 1 0 234.324 1.966 10 0 BDAERO CCCN(C)C(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055126455 169052240 /nfs/dbraw/zinc/05/22/40/169052240.db2.gz QILZCLIGDRKYJN-WDEREUQCSA-N 1 0 212.337 1.762 10 0 BDAERO OCc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038041144 183167383 /nfs/dbraw/zinc/16/73/83/183167383.db2.gz CSIPKSFPSBAIOU-UHFFFAOYSA-N 1 0 206.289 1.343 10 0 BDAERO O[C@H](Cn1cccc1)C[NH+]1CCCCC1 ZINC000073167488 183175813 /nfs/dbraw/zinc/17/58/13/183175813.db2.gz ODFWNNLHQLJZQD-LBPRGKRZSA-N 1 0 208.305 1.335 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000037164887 183197010 /nfs/dbraw/zinc/19/70/10/183197010.db2.gz ZAMFTYUUEJJCKW-NWDGAFQWSA-N 1 0 206.289 1.475 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000052178402 183197142 /nfs/dbraw/zinc/19/71/42/183197142.db2.gz BITUDCDBVYBEAZ-NWDGAFQWSA-N 1 0 213.321 1.306 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@@H]1Cc1ccc(F)cc1 ZINC000071511545 183201262 /nfs/dbraw/zinc/20/12/62/183201262.db2.gz SDHWOLCHGIIQEJ-CMPLNLGQSA-N 1 0 209.264 1.339 10 0 BDAERO O[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000100280001 183201589 /nfs/dbraw/zinc/20/15/89/183201589.db2.gz YMPPARSZSBNUSL-TXEJJXNPSA-N 1 0 206.289 1.475 10 0 BDAERO O[C@H]1CC[C@H]([NH2+]Cc2nccnc2Cl)CC1 ZINC000100280031 183202683 /nfs/dbraw/zinc/20/26/83/183202683.db2.gz MHXKCERGJUEUAY-DTORHVGOSA-N 1 0 241.722 1.523 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCCCO2)[C@H]1CCC[NH2+]1 ZINC000036172013 183185723 /nfs/dbraw/zinc/18/57/23/183185723.db2.gz JBBBADHXDBJFKK-RISCZKNCSA-N 1 0 249.310 1.633 10 0 BDAERO O[C@@H]1CC2(CC[NH2+]CC2)Oc2ccc(F)cc21 ZINC000036141229 183186977 /nfs/dbraw/zinc/18/69/77/183186977.db2.gz DCQXZBOLXSOOCY-LLVKDONJSA-N 1 0 237.274 1.764 10 0 BDAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000037883809 183187704 /nfs/dbraw/zinc/18/77/04/183187704.db2.gz KIYLSNMNXJTGDP-CHWSQXEVSA-N 1 0 220.316 1.865 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccn1 ZINC000077204544 183188206 /nfs/dbraw/zinc/18/82/06/183188206.db2.gz GPHFTTYXRJIZNC-DGCLKSJQSA-N 1 0 220.316 1.722 10 0 BDAERO CCC[N@H+](C)C1(CN)Cc2ccccc2C1 ZINC000037374736 169064102 /nfs/dbraw/zinc/06/41/02/169064102.db2.gz ZETPXUZDVNBXQY-UHFFFAOYSA-N 1 0 218.344 1.825 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000037871595 183195811 /nfs/dbraw/zinc/19/58/11/183195811.db2.gz MXOZNAKGSNANNT-NWDGAFQWSA-N 1 0 206.289 1.127 10 0 BDAERO O[C@H](c1cc(F)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000036161926 183228168 /nfs/dbraw/zinc/22/81/68/183228168.db2.gz GRGDWUGAXBDPSE-PELKAZGASA-N 1 0 227.254 1.998 10 0 BDAERO O[C@H](c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000034963480 183228307 /nfs/dbraw/zinc/22/83/07/183228307.db2.gz KXMGXYGBOFEOFS-LBPRGKRZSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@H](c1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000041248058 183228977 /nfs/dbraw/zinc/22/89/77/183228977.db2.gz OEUZDRCJDKHASP-UFBFGSQYSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@H]1CC=C(CC[NH+]2CCCCC2)C[C@@H]1O ZINC000039096010 183230397 /nfs/dbraw/zinc/23/03/97/183230397.db2.gz RKFOWXUGAHAOMP-STQMWFEESA-N 1 0 225.332 1.304 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000089162617 183238494 /nfs/dbraw/zinc/23/84/94/183238494.db2.gz MSLFZCIQZHOXHK-JQWIXIFHSA-N 1 0 249.310 1.666 10 0 BDAERO O[C@H]1CC[NH2+]C[C@@H]1Cc1cccc(Cl)c1 ZINC000071532584 183241121 /nfs/dbraw/zinc/24/11/21/183241121.db2.gz ZZKLJYLFAGJFJF-JQWIXIFHSA-N 1 0 225.719 1.853 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1Cc1ccc(Cl)s1 ZINC000076678754 183241205 /nfs/dbraw/zinc/24/12/05/183241205.db2.gz UJLQIYRBNHKESH-APPZFPTMSA-N 1 0 231.748 1.914 10 0 BDAERO O[C@H]1CC[NH2+]C[C@@H]1Cc1ccc(F)cc1 ZINC000071511543 183241395 /nfs/dbraw/zinc/24/13/95/183241395.db2.gz SDHWOLCHGIIQEJ-JQWIXIFHSA-N 1 0 209.264 1.339 10 0 BDAERO O[C@H]1C[NH2+]C[C@H]1Sc1ncnc2ccccc21 ZINC000104237269 183245317 /nfs/dbraw/zinc/24/53/17/183245317.db2.gz VSLBKSMONJGBIU-WDEREUQCSA-N 1 0 247.323 1.055 10 0 BDAERO CCCN(CC)C(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051792552 169117840 /nfs/dbraw/zinc/11/78/40/169117840.db2.gz XZENLZOZHOAHHF-QWRGUYRKSA-N 1 0 212.337 1.633 10 0 BDAERO O[C@]1(c2cccc(Cl)c2)CCC[NH2+]C1 ZINC000071518435 183251602 /nfs/dbraw/zinc/25/16/02/183251602.db2.gz BEVNYFGSNIZXQQ-LLVKDONJSA-N 1 0 211.692 1.911 10 0 BDAERO O[C@]1(Cc2ccc(F)cc2)CCC[NH2+]C1 ZINC000071511547 183252042 /nfs/dbraw/zinc/25/20/42/183252042.db2.gz NCYLNBWSDXSWFA-LBPRGKRZSA-N 1 0 209.264 1.483 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cscn1 ZINC000082992024 183232882 /nfs/dbraw/zinc/23/28/82/183232882.db2.gz SMOBYSRHQLXOJX-ONGXEEELSA-N 1 0 226.345 1.784 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccco1 ZINC000077204302 183233116 /nfs/dbraw/zinc/23/31/16/183233116.db2.gz HFTBGKLRGKFRQV-JQWIXIFHSA-N 1 0 209.289 1.920 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000052013559 183233154 /nfs/dbraw/zinc/23/31/54/183233154.db2.gz AQBVSROMDCZGHA-IUCAKERBSA-N 1 0 245.273 1.671 10 0 BDAERO Oc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000019993499 183265493 /nfs/dbraw/zinc/26/54/93/183265493.db2.gz YGHSRYIWMCILSJ-JTQLQIEISA-N 1 0 231.255 1.867 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038044168 183281529 /nfs/dbraw/zinc/28/15/29/183281529.db2.gz GFTRCJUWRJJOFB-GWCFXTLKSA-N 1 0 249.310 1.842 10 0 BDAERO CCCN(CC1CC1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000129117594 169136542 /nfs/dbraw/zinc/13/65/42/169136542.db2.gz ASUVDXWJIUNHOJ-SNVBAGLBSA-N 1 0 224.348 1.491 10 0 BDAERO Oc1ccc2[nH]c(CC[NH2+]C3CC3)nc2c1 ZINC000074326244 183285786 /nfs/dbraw/zinc/28/57/86/183285786.db2.gz OEUNNPARGBKTDK-UHFFFAOYSA-N 1 0 217.272 1.563 10 0 BDAERO CCCN(CCC)c1ncccc1C(N)=[NH2+] ZINC000019434938 169154401 /nfs/dbraw/zinc/15/44/01/169154401.db2.gz YKCLULPXZDWICO-UHFFFAOYSA-N 1 0 220.320 1.992 10 0 BDAERO CCCN(CC[NH2+]C)c1cccc(OCC)n1 ZINC000104120822 169159286 /nfs/dbraw/zinc/15/92/86/169159286.db2.gz UWEBVOLTTRNDPS-UHFFFAOYSA-N 1 0 237.347 1.916 10 0 BDAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCn1cccn1 ZINC000042539446 183295299 /nfs/dbraw/zinc/29/52/99/183295299.db2.gz FREJGQNYFNRUJN-ZDUSSCGKSA-N 1 0 243.310 1.866 10 0 BDAERO CCC[N@H+](CCO)Cc1cccnc1NCC ZINC000052726240 169167954 /nfs/dbraw/zinc/16/79/54/169167954.db2.gz LWTIKTUNSXXRMP-UHFFFAOYSA-N 1 0 237.347 1.718 10 0 BDAERO Oc1cccnc1OCCC1CC[NH2+]CC1 ZINC000095073855 183304934 /nfs/dbraw/zinc/30/49/34/183304934.db2.gz OWYPFLHGURVVCC-UHFFFAOYSA-N 1 0 222.288 1.556 10 0 BDAERO CCC[N@H+](CC[C@H]([NH2+]C(C)C)C(=O)[O-])C(C)C ZINC000062446722 169171044 /nfs/dbraw/zinc/17/10/44/169171044.db2.gz NVNWDYBPFTZAPW-LBPRGKRZSA-N 1 0 244.379 1.948 10 0 BDAERO S=C1Nc2ccccc2CN1C[C@@H]1CC[NH2+]C1 ZINC000095078939 183313722 /nfs/dbraw/zinc/31/37/22/183313722.db2.gz FRKDIWGVWPQNDK-SNVBAGLBSA-N 1 0 247.367 1.809 10 0 BDAERO c1c2c(cc3c1OCC[C@H]3[NH2+]C1CC1)OCO2 ZINC000035654447 183321520 /nfs/dbraw/zinc/32/15/20/183321520.db2.gz OKIDXLYTLBDWCL-SNVBAGLBSA-N 1 0 233.267 1.991 10 0 BDAERO CCC[N@@H+]1CCC[C@H]2Cc3n[nH]cc3C[C@H]21 ZINC000009209831 169201061 /nfs/dbraw/zinc/20/10/61/169201061.db2.gz FTSUPYGMFAPCFZ-GXFFZTMASA-N 1 0 219.332 1.999 10 0 in-vitro BDAERO CCC[NH+]1CCN(C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053860714 169203399 /nfs/dbraw/zinc/20/33/99/169203399.db2.gz QPBZORNFHNNVKP-OLZOCXBDSA-N 1 0 225.380 1.141 10 0 BDAERO CCC[NH+]1CCN([C@](C)(C[NH3+])CCC)CC1 ZINC000019518357 169204754 /nfs/dbraw/zinc/20/47/54/169204754.db2.gz JFROZSVLFXPMNK-ZDUSSCGKSA-N 1 0 227.396 1.532 10 0 BDAERO c1cc(CCNC2=[NH+]CCS2)cs1 ZINC000049185303 183338608 /nfs/dbraw/zinc/33/86/08/183338608.db2.gz RDDKNDADMINHFN-UHFFFAOYSA-N 1 0 212.343 1.983 10 0 BDAERO CCCNC(=O)C[NH2+]CC1(O)CCCCCC1 ZINC000037892214 169226586 /nfs/dbraw/zinc/22/65/86/169226586.db2.gz CPTYSXXRRMPMCG-UHFFFAOYSA-N 1 0 242.363 1.188 10 0 BDAERO CCCNC(=O)COc1ccc(CC[NH3+])cc1 ZINC000019391014 169231945 /nfs/dbraw/zinc/23/19/45/169231945.db2.gz BOUIEQRFOKOXQE-UHFFFAOYSA-N 1 0 236.315 1.093 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1cccs1 ZINC000057517457 169232725 /nfs/dbraw/zinc/23/27/25/169232725.db2.gz PHAQYRMCQSGVQN-VIFPVBQESA-N 1 0 226.345 1.707 10 0 BDAERO c1cc(C[NH2+]CCN2CCCCCC2)c[nH]1 ZINC000080773916 183350056 /nfs/dbraw/zinc/35/00/56/183350056.db2.gz YAOVWWIHCUZDIB-UHFFFAOYSA-N 1 0 221.348 1.980 10 0 BDAERO c1cc(C[NH2+]C[C@@H]2CCCCO2)ncn1 ZINC000054789829 183350075 /nfs/dbraw/zinc/35/00/75/183350075.db2.gz ABPTUZFSVLVPBQ-NSHDSACASA-N 1 0 207.277 1.135 10 0 BDAERO c1cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cs1 ZINC000308500569 183352646 /nfs/dbraw/zinc/35/26/46/183352646.db2.gz GJLMBWVQBABCPE-RTCCRHLQSA-N 1 0 209.314 1.730 10 0 BDAERO c1cc(NCC[NH+]2CCCCC2)ncn1 ZINC000049575245 183356553 /nfs/dbraw/zinc/35/65/53/183356553.db2.gz GMCSEMNRLOOKHY-UHFFFAOYSA-N 1 0 206.293 1.374 10 0 BDAERO c1cc(OC2CCOCC2)ncc1C[NH2+]C1CC1 ZINC000051522269 183358145 /nfs/dbraw/zinc/35/81/45/183358145.db2.gz KOKHEAHNQLNOBV-UHFFFAOYSA-N 1 0 248.326 1.891 10 0 BDAERO CCC[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000020056568 169255879 /nfs/dbraw/zinc/25/58/79/169255879.db2.gz CWOXBCYIBWPRDN-UHFFFAOYSA-N 1 0 222.288 1.633 10 0 BDAERO CCC[NH2+]CCN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000054267993 169257991 /nfs/dbraw/zinc/25/79/91/169257991.db2.gz UTONPLVHRCGGFH-ZDUSSCGKSA-N 1 0 240.347 1.407 10 0 BDAERO c1cc(C[NH2+]C[C@H]2CCCO2)cc2c1COC2 ZINC000104204717 183368008 /nfs/dbraw/zinc/36/80/08/183368008.db2.gz DMXFIWWPHATGNO-CQSZACIVSA-N 1 0 233.311 1.985 10 0 BDAERO c1cc(OC[C@@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000020221607 183370670 /nfs/dbraw/zinc/37/06/70/183370670.db2.gz SRLWQBMPFXHDMB-VIFPVBQESA-N 1 0 221.256 1.546 10 0 BDAERO CCCNC(=O)Nc1ccc(F)c(C[NH3+])c1 ZINC000051635425 169240330 /nfs/dbraw/zinc/24/03/30/169240330.db2.gz PZZJIOOHWUYFGB-UHFFFAOYSA-N 1 0 225.267 1.816 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000033465975 169262610 /nfs/dbraw/zinc/26/26/10/169262610.db2.gz WHAYGAJFSBSEBK-LLVKDONJSA-N 1 0 237.299 1.491 10 0 BDAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)CCC ZINC000034937649 169242630 /nfs/dbraw/zinc/24/26/30/169242630.db2.gz OMXNINMWYHSOBG-NXEZZACHSA-N 1 0 200.326 1.679 10 0 BDAERO CCCNC(=O)[C@@H](C[NH3+])Cc1ccc(CC)cc1 ZINC000050304101 169243361 /nfs/dbraw/zinc/24/33/61/169243361.db2.gz GGMUXWATMJQARV-CQSZACIVSA-N 1 0 248.370 1.893 10 0 BDAERO c1ccc(C2=NO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000073196455 183388761 /nfs/dbraw/zinc/38/87/61/183388761.db2.gz NIXCXDZREWBDDN-CYBMUJFWSA-N 1 0 216.284 1.933 10 0 BDAERO CCCN[C@H](CC[N@H+](C)CC1CC1)C(=O)OC ZINC000062452885 169289430 /nfs/dbraw/zinc/28/94/30/169289430.db2.gz HQPQDXKHOJEIPJ-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO CCC[NH2+][C@@H]1c2ccc(OC)cc2NC1=O ZINC000105155668 169290763 /nfs/dbraw/zinc/29/07/63/169290763.db2.gz RAWGGRAWZHXNEC-LLVKDONJSA-N 1 0 220.272 1.688 10 0 BDAERO CCC[NH2+]Cc1cnn([C@@H]2CCC[C@@H]2O)c1C ZINC000054599559 169269031 /nfs/dbraw/zinc/26/90/31/169269031.db2.gz AHRQSIXIZPFRRY-OLZOCXBDSA-N 1 0 237.347 1.777 10 0 BDAERO c1ccc(CN2CC3(C2)CC[NH2+]C3)cc1 ZINC000066339744 183396999 /nfs/dbraw/zinc/39/69/99/183396999.db2.gz FROMIMGVGOIYNE-UHFFFAOYSA-N 1 0 202.301 1.482 10 0 BDAERO c1ccc(CN2CC[NH2+]CC23CC3)cc1 ZINC000095932675 183398950 /nfs/dbraw/zinc/39/89/50/183398950.db2.gz CSELKLIMQOUJMY-UHFFFAOYSA-N 1 0 202.301 1.624 10 0 BDAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccco2)C1=O ZINC000049648197 169283505 /nfs/dbraw/zinc/28/35/05/169283505.db2.gz MHZOZWVZCSYVES-WDEREUQCSA-N 1 0 236.315 1.941 10 0 BDAERO CCCO[C@@H]1CCC[N@H+](CCC(=O)OCC)C1 ZINC000042423205 169310874 /nfs/dbraw/zinc/31/08/74/169310874.db2.gz VRTMMFFQZOLULA-GFCCVEGCSA-N 1 0 243.347 1.831 10 0 BDAERO CCCOc1cc([C@H](O)C[NH3+])ccc1OC ZINC000032015000 169315203 /nfs/dbraw/zinc/31/52/03/169315203.db2.gz DYWHDHGNPINGAT-SNVBAGLBSA-N 1 0 225.288 1.476 10 0 BDAERO CCC[NH2+][C@H]1CCC[C@H]1OCCCOC ZINC000044107651 169291318 /nfs/dbraw/zinc/29/13/18/169291318.db2.gz QGVWTTGDGUNWHK-NWDGAFQWSA-N 1 0 215.337 1.960 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2cccnc2)C1=O ZINC000049648707 169292054 /nfs/dbraw/zinc/29/20/54/169292054.db2.gz ZZDGKERKHSFKGW-AAEUAGOBSA-N 1 0 247.342 1.743 10 0 BDAERO CCC[NH2+][C@H]1COc2cccc(O)c2C1 ZINC000034189688 169292542 /nfs/dbraw/zinc/29/25/42/169292542.db2.gz LVGZMSLJNXRODJ-SECBINFHSA-N 1 0 207.273 1.695 10 0 BDAERO CCC[NH2+][C@H]1Cc2cccc3[nH]c(=O)n(c32)C1 ZINC000002004097 169292601 /nfs/dbraw/zinc/29/26/01/169292601.db2.gz XTWUNLMHXDDOMD-JTQLQIEISA-N 1 0 231.299 1.254 10 0 BDAERO CCC[NH2+][C@]1(c2nc(C)cs2)CCN(C)C1 ZINC000061991876 169293389 /nfs/dbraw/zinc/29/33/89/169293389.db2.gz PJZFUALPJKMDIS-GFCCVEGCSA-N 1 0 239.388 1.982 10 0 BDAERO CCC[NH2+][C@]1(c2nccs2)CCN(C)C1 ZINC000061991872 169293858 /nfs/dbraw/zinc/29/38/58/169293858.db2.gz RLIFQPHWSZWTEH-LLVKDONJSA-N 1 0 225.361 1.674 10 0 BDAERO c1ccc2c(c1)OC[C@H](CC1=[NH+]CCN1)O2 ZINC000027744191 183453322 /nfs/dbraw/zinc/45/33/22/183453322.db2.gz PCQUPWRYJQPYBV-VIFPVBQESA-N 1 0 218.256 1.218 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000019511411 169368558 /nfs/dbraw/zinc/36/85/58/169368558.db2.gz ZIEHXSRHJYESMP-IVZWLZJFSA-N 1 0 200.326 1.665 10 0 BDAERO CCC[C@@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037189575 169370140 /nfs/dbraw/zinc/37/01/40/169370140.db2.gz GLNHRNQHVUSUHW-SECBINFHSA-N 1 0 213.325 1.308 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCc2ccsc2C1 ZINC000336388669 169388238 /nfs/dbraw/zinc/38/82/38/169388238.db2.gz VCYCQSHZCOQUIY-SNVBAGLBSA-N 1 0 238.356 1.760 10 0 BDAERO CCC[C@@H](Cc1nc(CCOC)no1)[NH2+]CC ZINC000104063130 169386522 /nfs/dbraw/zinc/38/65/22/169386522.db2.gz IAEZYADZXPSWIJ-JTQLQIEISA-N 1 0 241.335 1.579 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1ccccc1 ZINC000062189009 169391200 /nfs/dbraw/zinc/39/12/00/169391200.db2.gz ACYFXZGJTFYXPM-WCQYABFASA-N 1 0 234.343 1.861 10 0 BDAERO CCC[C@@H]([NH3+])c1nnc2ccc(C)nn21 ZINC000050194270 169394969 /nfs/dbraw/zinc/39/49/69/169394969.db2.gz FSLKFDVUPHBPJY-MRVPVSSYSA-N 1 0 205.265 1.233 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)[C@@H]1CCOC1 ZINC000222822867 134335367 /nfs/dbraw/zinc/33/53/67/134335367.db2.gz XNZMESRMKHAYQP-QJPTWQEYSA-N 1 0 245.363 1.177 10 0 BDAERO c1nc(COCC2CC[NH2+]CC2)cs1 ZINC000051814949 183531779 /nfs/dbraw/zinc/53/17/79/183531779.db2.gz NOXDUZNJXQWCEN-UHFFFAOYSA-N 1 0 212.318 1.659 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)Cn1cncn1 ZINC000309991059 169433349 /nfs/dbraw/zinc/43/33/49/169433349.db2.gz BAXZTCBFPMIWPZ-UTUOFQBUSA-N 1 0 222.336 1.835 10 0 BDAERO CC(C)(C)OC(=O)NC(C)(C)[C@H]1CC[NH2+]C1 ZINC000034062602 166660186 /nfs/dbraw/zinc/66/01/86/166660186.db2.gz MNIHYAVDKLMINM-VIFPVBQESA-N 1 0 228.336 1.899 10 0 BDAERO CC(C)(C)OC(=O)NCC(=O)C1CC[NH2+]CC1 ZINC000076686840 166659293 /nfs/dbraw/zinc/65/92/93/166659293.db2.gz ITVUFHCIYQASHD-UHFFFAOYSA-N 1 0 242.319 1.080 10 0 BDAERO CCC[C@](C)([NH3+])CN1CCO[C@H](C)C1 ZINC000037480817 169548918 /nfs/dbraw/zinc/54/89/18/169548918.db2.gz VFRHGYOZWNFBOJ-MNOVXSKESA-N 1 0 200.326 1.225 10 0 BDAERO CCC[C@]1(C(=O)Nc2ccon2)CCC[NH2+]C1 ZINC000062861364 169555405 /nfs/dbraw/zinc/55/54/05/169555405.db2.gz FKIPDOXTQGBVGQ-LBPRGKRZSA-N 1 0 237.303 1.783 10 0 BDAERO CCCn1c(C)nnc1[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070501965 169613431 /nfs/dbraw/zinc/61/34/31/169613431.db2.gz BIHHSNKAJQVTBR-MNOVXSKESA-N 1 0 222.336 1.981 10 0 BDAERO CC(C)OCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226642244 134368569 /nfs/dbraw/zinc/36/85/69/134368569.db2.gz HKFUEZKQURHDJX-STQMWFEESA-N 1 0 226.364 1.580 10 0 BDAERO CCN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCSC1 ZINC000409435275 383837294 /nfs/dbraw/zinc/83/72/94/383837294.db2.gz UBIUELBUAJWAAK-NXEZZACHSA-N 1 0 228.361 1.092 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1ccnc(C2CC2)n1 ZINC000409436721 383843349 /nfs/dbraw/zinc/84/33/49/383843349.db2.gz XWDLOEQNKNHLAE-VIFPVBQESA-N 1 0 218.304 1.152 10 0 BDAERO Cc1nc(N(C)CCOCC[NH3+])sc1C ZINC000301045362 383877738 /nfs/dbraw/zinc/87/77/38/383877738.db2.gz NOAOFENPQIFDSP-UHFFFAOYSA-N 1 0 229.349 1.171 10 0 BDAERO c1cnc2ccc(O[C@@H]3CC[NH2+]C3)cc2c1 ZINC000035090175 383828871 /nfs/dbraw/zinc/82/88/71/383828871.db2.gz SKXPEVFFOQVWNW-GFCCVEGCSA-N 1 0 214.268 1.976 10 0 BDAERO CCOc1nc(C(N)=[NH2+])cc2ccccc21 ZINC000067173639 383915189 /nfs/dbraw/zinc/91/51/89/383915189.db2.gz ZSARCADWXBBOGM-UHFFFAOYSA-N 1 0 215.256 1.918 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCCN1Cc1ccccc1 ZINC000068592948 384001188 /nfs/dbraw/zinc/00/11/88/384001188.db2.gz WLYLYILTBJZATP-DGCLKSJQSA-N 1 0 204.317 1.998 10 0 BDAERO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643614706 384018446 /nfs/dbraw/zinc/01/84/46/384018446.db2.gz ILUBFQZFVDXJFL-GRYCIOLGSA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[NH3+] ZINC000004202876 384044375 /nfs/dbraw/zinc/04/43/75/384044375.db2.gz GEHBIWVQKQLYNB-MRVPVSSYSA-N 1 0 200.282 1.692 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CC[C@@H]2[NH3+] ZINC000072233147 384084003 /nfs/dbraw/zinc/08/40/03/384084003.db2.gz RCQBFNOOVOQOAB-LPEHRKFASA-N 1 0 226.320 1.733 10 0 BDAERO N[C@H](C[NH3+])c1ccc(Br)cc1F ZINC000035676918 384087564 /nfs/dbraw/zinc/08/75/64/384087564.db2.gz IWYPOJGIGIBKEG-MRVPVSSYSA-N 1 0 233.084 1.547 10 0 BDAERO Cn1cc(C[C@@H]([NH3+])c2ccsc2)cn1 ZINC000050542442 384077126 /nfs/dbraw/zinc/07/71/26/384077126.db2.gz RSKMVYITSMAQEF-SNVBAGLBSA-N 1 0 207.302 1.724 10 0 BDAERO C[C@@H](NC1=[NH+]CCS1)[C@H]1CCCO1 ZINC000035736406 384097508 /nfs/dbraw/zinc/09/75/08/384097508.db2.gz OEYWDEJRXGHIFE-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@H](NC1=[NH+]CCS1)[C@H]1CCCO1 ZINC000035736405 384097955 /nfs/dbraw/zinc/09/79/55/384097955.db2.gz OEYWDEJRXGHIFE-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO CCc1ccc2occ(C[NH3+])c(=O)c2c1 ZINC000039100843 384103160 /nfs/dbraw/zinc/10/31/60/384103160.db2.gz UXFCTKFPBKSZDC-UHFFFAOYSA-N 1 0 203.241 1.814 10 0 BDAERO C[C@H]1[C@@H](C2CCCCC2)OCC[N@@H+]1CCO ZINC000039110993 384105632 /nfs/dbraw/zinc/10/56/32/384105632.db2.gz HCSROBCNBKUTEE-AAEUAGOBSA-N 1 0 227.348 1.648 10 0 BDAERO CC[C@H](C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C)OC ZINC000310375343 384151674 /nfs/dbraw/zinc/15/16/74/384151674.db2.gz ZMNJPUYXXCQAOS-MELADBBJSA-N 1 0 240.391 1.970 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)o1 ZINC000091667155 384138796 /nfs/dbraw/zinc/13/87/96/384138796.db2.gz CCMIITXGTWLJNM-NWDGAFQWSA-N 1 0 238.331 1.569 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000050394715 384199083 /nfs/dbraw/zinc/19/90/83/384199083.db2.gz QSHDIMUIUFYVRS-GHMZBOCLSA-N 1 0 208.305 1.211 10 0 BDAERO N[C@H](C[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000072200989 384199974 /nfs/dbraw/zinc/19/99/74/384199974.db2.gz HEEMGQNZJGFHRD-MRVPVSSYSA-N 1 0 220.194 1.544 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cccc(O)c1 ZINC000282320691 384234682 /nfs/dbraw/zinc/23/46/82/384234682.db2.gz NPSVPIDLIBRGIP-OPQQBVKSSA-N 1 0 248.326 1.710 10 0 BDAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cccs1 ZINC000081899150 384212276 /nfs/dbraw/zinc/21/22/76/384212276.db2.gz CCBQDUUHAGISBO-IUCAKERBSA-N 1 0 247.385 1.832 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](CCCF)C2)cn1 ZINC000132055485 384213464 /nfs/dbraw/zinc/21/34/64/384213464.db2.gz FYCFTACZGJMZIO-SNVBAGLBSA-N 1 0 211.284 1.569 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282349693 384242936 /nfs/dbraw/zinc/24/29/36/384242936.db2.gz MSPVVYFJQIIKRH-DGCLKSJQSA-N 1 0 232.327 1.752 10 0 BDAERO C[C@H](CC1CC1)NC(=O)CC1CC[NH2+]CC1 ZINC000069668786 384262689 /nfs/dbraw/zinc/26/26/89/384262689.db2.gz DULYZNOMSBOAOL-SNVBAGLBSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)CN(C(=O)[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000643643608 384275911 /nfs/dbraw/zinc/27/59/11/384275911.db2.gz ZTZUCNQJBNBRPP-GFCCVEGCSA-N 1 0 242.363 1.115 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000044135918 384316840 /nfs/dbraw/zinc/31/68/40/384316840.db2.gz VYUIWLMJPDHWQQ-RYUDHWBXSA-N 1 0 219.284 1.553 10 0 BDAERO CCCCN1CCN(c2cccccc2=O)CC1 ZINC000028000661 384280976 /nfs/dbraw/zinc/28/09/76/384280976.db2.gz SIOUUBVZWHGLBQ-UHFFFAOYSA-N 1 0 246.354 1.969 10 0 BDAERO CCC[C@@H](C(=O)NC[C@@H](C)COC)[NH+](C)C ZINC000179634150 384323046 /nfs/dbraw/zinc/32/30/46/384323046.db2.gz ITWVVLUMXONADC-MNOVXSKESA-N 1 0 230.352 1.115 10 0 BDAERO Cc1ccoc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282457425 384288115 /nfs/dbraw/zinc/28/81/15/384288115.db2.gz SWDQHCVIRYEFRZ-VHSXEESVSA-N 1 0 222.288 1.345 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)CCn2cccn2)c1 ZINC000158993488 384295577 /nfs/dbraw/zinc/29/55/77/384295577.db2.gz IFYVEYURQVJCOK-CYBMUJFWSA-N 1 0 247.346 1.456 10 0 BDAERO CC[C@@H](O)C[NH+]1CCN([C@@H]2C=CCCC2)CC1 ZINC000174077916 384301140 /nfs/dbraw/zinc/30/11/40/384301140.db2.gz PCZIHUWRLKPJDX-ZIAGYGMSSA-N 1 0 238.375 1.484 10 0 BDAERO Clc1nccnc1CNC[C@@H]1CCC[NH2+]C1 ZINC000095070373 384336494 /nfs/dbraw/zinc/33/64/94/384336494.db2.gz PSTYSAHGBKRRSS-SECBINFHSA-N 1 0 240.738 1.219 10 0 BDAERO CN(c1cnc2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000095070565 384336702 /nfs/dbraw/zinc/33/67/02/384336702.db2.gz PAZVGXZEISHVAR-NSHDSACASA-N 1 0 242.326 1.818 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)c1ccnc(Cl)n1 ZINC000095071203 384338734 /nfs/dbraw/zinc/33/87/34/384338734.db2.gz UWGCMRLUZGZWKZ-QMMMGPOBSA-N 1 0 226.711 1.176 10 0 BDAERO CN(Cc1ccc(Cl)nn1)C[C@H]1CCC[NH2+]1 ZINC000095071011 384338956 /nfs/dbraw/zinc/33/89/56/384338956.db2.gz XEROZRYCVGFZHT-SECBINFHSA-N 1 0 240.738 1.314 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1ccc(Cl)nn1 ZINC000095071053 384339423 /nfs/dbraw/zinc/33/94/23/384339423.db2.gz GKJQXRKQTDJUSO-VIFPVBQESA-N 1 0 240.738 1.566 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095070807 384339449 /nfs/dbraw/zinc/33/94/49/384339449.db2.gz AHXHRTIIJRELBT-LLVKDONJSA-N 1 0 205.305 1.660 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)C(=O)c1cccs1 ZINC000095071034 384339498 /nfs/dbraw/zinc/33/94/98/384339498.db2.gz ZQBRLUQHPQZDLW-SNVBAGLBSA-N 1 0 238.356 1.820 10 0 BDAERO CN(CC1CC[NH2+]CC1)c1cc(Cl)ncn1 ZINC000095071319 384340622 /nfs/dbraw/zinc/34/06/22/384340622.db2.gz YXWDSHAWVZUBAZ-UHFFFAOYSA-N 1 0 240.738 1.566 10 0 BDAERO CSc1nccnc1CO[C@@H]1CC[NH2+]C1 ZINC000095071942 384341658 /nfs/dbraw/zinc/34/16/58/384341658.db2.gz YEFGOWTTXUZABK-MRVPVSSYSA-N 1 0 225.317 1.077 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1Nc1ncc(F)cn1 ZINC000095072215 384343059 /nfs/dbraw/zinc/34/30/59/384343059.db2.gz AXQUJGMEDRBEEN-DTWKUNHWSA-N 1 0 210.256 1.298 10 0 BDAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H]2C)n1 ZINC000134244856 384343204 /nfs/dbraw/zinc/34/32/04/384343204.db2.gz YWQBIGSKIRHVPG-NXEZZACHSA-N 1 0 222.288 1.363 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCc1nccnc1Cl ZINC000095072308 384343870 /nfs/dbraw/zinc/34/38/70/384343870.db2.gz LUVCRZVTMNWANS-IUCAKERBSA-N 1 0 240.738 1.490 10 0 BDAERO O=[S@](Cc1cccnc1)C[C@H]1CCCC[NH2+]1 ZINC000095073514 384347737 /nfs/dbraw/zinc/34/77/37/384347737.db2.gz DOHHRHDGFLSEFF-WBMJQRKESA-N 1 0 238.356 1.472 10 0 BDAERO O=[S@](Cc1cncs1)C[C@H]1CCCC[NH2+]1 ZINC000095073522 384347987 /nfs/dbraw/zinc/34/79/87/384347987.db2.gz WACMDBATVQBJQM-RFAUZJTJSA-N 1 0 244.385 1.534 10 0 BDAERO O=[S@](Cc1cncs1)C[C@@H]1CCCC[NH2+]1 ZINC000095073520 384347993 /nfs/dbraw/zinc/34/79/93/384347993.db2.gz WACMDBATVQBJQM-BJOHPYRUSA-N 1 0 244.385 1.534 10 0 BDAERO O=[S@@](Cc1ccccn1)C[C@@H]1CCC[NH2+]1 ZINC000095073569 384348682 /nfs/dbraw/zinc/34/86/82/384348682.db2.gz MJXYHVFAXOJMKV-XHDPSFHLSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](C[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095073475 384348923 /nfs/dbraw/zinc/34/89/23/384348923.db2.gz MQNFEMSMFFVWAJ-BMIGLBTASA-N 1 0 224.329 1.331 10 0 BDAERO O=[S@@](Cc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000095073629 384348927 /nfs/dbraw/zinc/34/89/27/384348927.db2.gz YRHPQAPWTTWONQ-BZNIZROVSA-N 1 0 238.356 1.330 10 0 BDAERO FC(F)(F)N1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000095076993 384353214 /nfs/dbraw/zinc/35/32/14/384353214.db2.gz QISRZBIXGIQBQA-MRVPVSSYSA-N 1 0 222.254 1.970 10 0 BDAERO CS[C@@H]1CNCCN1C(=O)OC(C)(C)C ZINC000095081673 384359244 /nfs/dbraw/zinc/35/92/44/384359244.db2.gz AVIKKGKMXVDSLC-MRVPVSSYSA-N 1 0 232.349 1.516 10 0 BDAERO c1cnc2[nH]c(OCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092479 384360367 /nfs/dbraw/zinc/36/03/67/384360367.db2.gz BOKRYVGYWGWIDX-SNVBAGLBSA-N 1 0 246.314 1.869 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@H](NC(F)(F)F)C1 ZINC000095088268 384360567 /nfs/dbraw/zinc/36/05/67/384360567.db2.gz SSFXCYGZUFTSAC-MRVPVSSYSA-N 1 0 210.243 1.969 10 0 BDAERO c1cnc2[nH]c(OC3CC[NH2+]CC3)nc2c1 ZINC000095092781 384363632 /nfs/dbraw/zinc/36/36/32/384363632.db2.gz HUSXESBMXNFBQF-UHFFFAOYSA-N 1 0 218.260 1.089 10 0 BDAERO c1cnc(OCCC[C@H]2CCC[NH2+]C2)nc1 ZINC000095092520 384363916 /nfs/dbraw/zinc/36/39/16/384363916.db2.gz IWIMRIXXZKLVBK-LLVKDONJSA-N 1 0 221.304 1.635 10 0 BDAERO Cc1ccnc([S@](=O)C[C@@H]2CCCC[NH2+]2)n1 ZINC000095069281 384332297 /nfs/dbraw/zinc/33/22/97/384332297.db2.gz QUACHNMJSSWJJO-QFYYESIMSA-N 1 0 239.344 1.035 10 0 BDAERO Cc1ccc(OCCC2CC[NH2+]CC2)nn1 ZINC000095069135 384332395 /nfs/dbraw/zinc/33/23/95/384332395.db2.gz MUAROKLBXJEVTC-UHFFFAOYSA-N 1 0 221.304 1.554 10 0 BDAERO Cc1ccnc([S@@](=O)C[C@H]2CC[NH2+]C2)c1 ZINC000095069229 384332477 /nfs/dbraw/zinc/33/24/77/384332477.db2.gz MTLNFXKPDLPWAZ-ZUZCIYMTSA-N 1 0 224.329 1.107 10 0 BDAERO Cc1ccc([S@@](=O)C[C@H]2CCCC[NH2+]2)nn1 ZINC000095069119 384332964 /nfs/dbraw/zinc/33/29/64/384332964.db2.gz QTUMFXQIUJTWOZ-QLJPJBMISA-N 1 0 239.344 1.035 10 0 BDAERO [NH3+][C@@H]1CCn2c1nc1cc(Cl)ccc1c2=O ZINC000095870702 384402301 /nfs/dbraw/zinc/40/23/01/384402301.db2.gz GJNCQAXGWSHLQK-MRVPVSSYSA-N 1 0 235.674 1.453 10 0 BDAERO Cn1ccnc1SCCC1CC[NH2+]CC1 ZINC000095908653 384407019 /nfs/dbraw/zinc/40/70/19/384407019.db2.gz JTIBFZJOOMURAS-UHFFFAOYSA-N 1 0 225.361 1.902 10 0 BDAERO CCCc1noc([C@H]2CSC[C@H]2[NH3+])n1 ZINC000134803457 384416970 /nfs/dbraw/zinc/41/69/70/384416970.db2.gz IOILCLCHQNRTGF-NKWVEPMBSA-N 1 0 213.306 1.180 10 0 BDAERO Cc1n[nH]cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000120915837 384389400 /nfs/dbraw/zinc/38/94/00/384389400.db2.gz AQKQTWNJCPUUDZ-LLVKDONJSA-N 1 0 222.336 1.102 10 0 BDAERO Cc1ccncc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000135464686 384447583 /nfs/dbraw/zinc/44/75/83/384447583.db2.gz GOHQEHSBMNQRPH-AAEUAGOBSA-N 1 0 220.316 1.641 10 0 BDAERO CCC[C@H](C(=O)N[C@@H](C)c1ccccn1)[NH+](C)C ZINC000135339886 384438394 /nfs/dbraw/zinc/43/83/94/384438394.db2.gz ZKJQEAMJDKLHPY-WCQYABFASA-N 1 0 249.358 1.989 10 0 BDAERO CC(C)(O)C[NH2+]CCC[C@@H]1CCOC1 ZINC000400547045 384439265 /nfs/dbraw/zinc/43/92/65/384439265.db2.gz HYFAUGDAZQLTST-SNVBAGLBSA-N 1 0 201.310 1.164 10 0 BDAERO Cc1ccccc1OCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000643600675 384481293 /nfs/dbraw/zinc/48/12/93/384481293.db2.gz MJUSNYHFVFGXLD-RYUDHWBXSA-N 1 0 248.326 1.179 10 0 BDAERO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(C)s1 ZINC000643600564 384481384 /nfs/dbraw/zinc/48/13/84/384481384.db2.gz IUQGUYJJLUAJTE-RDDDGLTNSA-N 1 0 238.356 1.784 10 0 BDAERO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000097139131 384499672 /nfs/dbraw/zinc/49/96/72/384499672.db2.gz GZLPZZYPLDOIBC-LLVKDONJSA-N 1 0 242.363 1.402 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000400593070 384511049 /nfs/dbraw/zinc/51/10/49/384511049.db2.gz BCEWMFAYBZYXTN-QWHCGFSZSA-N 1 0 227.348 1.507 10 0 BDAERO CC[C@H](CO)[N@@H+]1Cc2cccc(N)c2C1 ZINC000011730938 384536661 /nfs/dbraw/zinc/53/66/61/384536661.db2.gz NYXMHLDZAUNSOJ-SNVBAGLBSA-N 1 0 206.289 1.355 10 0 BDAERO c1ncc(OCC[C@@H]2CCCC[NH2+]2)cn1 ZINC000079782081 384513717 /nfs/dbraw/zinc/51/37/17/384513717.db2.gz SPHUZEPMVYEQQR-JTQLQIEISA-N 1 0 207.277 1.388 10 0 BDAERO CC(C)(C)CCC[N@@H+]1CCO[C@H](CO)C1 ZINC000300789523 384547303 /nfs/dbraw/zinc/54/73/03/384547303.db2.gz ZSJJQYREHRBTGO-NSHDSACASA-N 1 0 215.337 1.506 10 0 BDAERO c1cc(N[C@@H]2CCC[NH2+]C2)nc(C2CC2)n1 ZINC000212229601 384561982 /nfs/dbraw/zinc/56/19/82/384561982.db2.gz QRYUGFTUAUFBDA-SNVBAGLBSA-N 1 0 218.304 1.518 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000052395700 384539167 /nfs/dbraw/zinc/53/91/67/384539167.db2.gz NFAZSKOUUMVOLT-LLVKDONJSA-N 1 0 220.316 1.561 10 0 BDAERO [NH3+]CCCc1ccc(Br)o1 ZINC000044279721 384566421 /nfs/dbraw/zinc/56/64/21/384566421.db2.gz JRFLTEOESBXLIP-UHFFFAOYSA-N 1 0 204.067 1.933 10 0 BDAERO [NH3+]Cc1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000050224150 384608835 /nfs/dbraw/zinc/60/88/35/384608835.db2.gz PVKCDYZIHVKASK-UHFFFAOYSA-N 1 0 242.204 1.745 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403245022 384610250 /nfs/dbraw/zinc/61/02/50/384610250.db2.gz FYQUPJZKQORMQN-DBIOUOCHSA-N 1 0 210.321 1.419 10 0 BDAERO COC[C@@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103428926 384621856 /nfs/dbraw/zinc/62/18/56/384621856.db2.gz OVENJIIIHDCGMI-SNVBAGLBSA-N 1 0 240.347 1.012 10 0 BDAERO COc1ccc([C@@H]([NH3+])Cn2cccn2)cc1OC ZINC000011849970 384622891 /nfs/dbraw/zinc/62/28/91/384622891.db2.gz SHSFVIFDCLBCJD-NSHDSACASA-N 1 0 247.298 1.600 10 0 BDAERO CC(C)[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)CCO1 ZINC000084447519 384622982 /nfs/dbraw/zinc/62/29/82/384622982.db2.gz MFGQUMAQVWXJFX-PYNQCMFNSA-N 1 0 227.348 1.551 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1C[C@@H]2[NH3+] ZINC000100234962 384626144 /nfs/dbraw/zinc/62/61/44/384626144.db2.gz PFWPGTVCPOJKKL-QCLAVDOMSA-N 1 0 226.320 1.637 10 0 BDAERO [NH3+]Cc1ccsc1I ZINC000098095767 384592183 /nfs/dbraw/zinc/59/21/83/384592183.db2.gz VEGOZTIAUOWSGD-UHFFFAOYSA-N 1 0 239.081 1.811 10 0 BDAERO [NH3+][C@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000101479116 384673009 /nfs/dbraw/zinc/67/30/09/384673009.db2.gz IHBAOXCCDNCTLW-QJPTWQEYSA-N 1 0 216.284 1.102 10 0 BDAERO CCCCNC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000042269541 384634466 /nfs/dbraw/zinc/63/44/66/384634466.db2.gz PMACYRYQKQCPOH-GHMZBOCLSA-N 1 0 228.336 1.060 10 0 BDAERO CN(c1ncncc1Cl)C1CC([NH3+])C1 ZINC000306652428 384652948 /nfs/dbraw/zinc/65/29/48/384652948.db2.gz GLDQNRAXCFYQQL-UHFFFAOYSA-N 1 0 212.684 1.056 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000082278616 384660336 /nfs/dbraw/zinc/66/03/36/384660336.db2.gz FQCZQZHRMQPGAU-GFCCVEGCSA-N 1 0 218.300 1.463 10 0 BDAERO [NH3+]C[C@@H](O)c1cc(Br)cs1 ZINC000043289798 384724158 /nfs/dbraw/zinc/72/41/58/384724158.db2.gz FQBFUFJLOZRNDZ-RXMQYKEDSA-N 1 0 222.107 1.503 10 0 BDAERO CC(=O)c1ccc2c(c1)[C@H]([NH3+])[C@@H](O)C(C)(C)O2 ZINC000022006587 384724677 /nfs/dbraw/zinc/72/46/77/384724677.db2.gz AECGYOKFJFSDKI-NWDGAFQWSA-N 1 0 235.283 1.421 10 0 BDAERO C[Si](C)(C)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000309868359 384682059 /nfs/dbraw/zinc/68/20/59/384682059.db2.gz PNSYPJZBDCAODP-JTQLQIEISA-N 1 0 240.423 1.655 10 0 BDAERO c1ccc(OCC[C@H]2CCCC[NH2+]2)nc1 ZINC000051871007 384697990 /nfs/dbraw/zinc/69/79/90/384697990.db2.gz BEYZGRPOXIHHJY-LLVKDONJSA-N 1 0 206.289 1.993 10 0 BDAERO [NH3+]CCOc1ccc(Br)cn1 ZINC000051870231 384697992 /nfs/dbraw/zinc/69/79/92/384697992.db2.gz NVZKOKAVBWRZPJ-UHFFFAOYSA-N 1 0 217.066 1.182 10 0 BDAERO Cc1cc(C)nc(SC[C@H]2CC[NH2+]C2)n1 ZINC000051891202 384700070 /nfs/dbraw/zinc/70/00/70/384700070.db2.gz ZCWQBFRVEWASDB-JTQLQIEISA-N 1 0 223.345 1.795 10 0 BDAERO Cc1n[nH]cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000051997696 384708831 /nfs/dbraw/zinc/70/88/31/384708831.db2.gz FOFLPUSZEICZPO-WDEREUQCSA-N 1 0 209.293 1.111 10 0 BDAERO CC(C)[C@@H]1CN(CC(F)(F)F)CC[NH2+]1 ZINC000082925320 384727456 /nfs/dbraw/zinc/72/74/56/384727456.db2.gz VCJOQYHIIZAOGU-QMMMGPOBSA-N 1 0 210.243 1.479 10 0 BDAERO COC[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000173761487 384718026 /nfs/dbraw/zinc/71/80/26/384718026.db2.gz RXMUEJVPWUEKQW-QWRGUYRKSA-N 1 0 223.320 1.244 10 0 BDAERO CC(C)C[C@H](CO)[NH2+]CC1CCOCC1 ZINC000052172319 384722166 /nfs/dbraw/zinc/72/21/66/384722166.db2.gz JGDWRQWAYBJPCK-GFCCVEGCSA-N 1 0 215.337 1.410 10 0 BDAERO [NH3+][C@@H](CO)Cc1cc(Cl)ccc1Cl ZINC000044464431 384734303 /nfs/dbraw/zinc/73/43/03/384734303.db2.gz HAEZGCGMFWHCLN-MRVPVSSYSA-N 1 0 220.099 1.856 10 0 BDAERO N[C@H](C[NH3+])c1cc(F)ccc1C(F)(F)F ZINC000044470153 384735429 /nfs/dbraw/zinc/73/54/29/384735429.db2.gz WGOGBOXDUDJPTM-MRVPVSSYSA-N 1 0 222.185 1.803 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000087044428 384735846 /nfs/dbraw/zinc/73/58/46/384735846.db2.gz HTUNYZPQHUVNFC-HTQZYQBOSA-N 1 0 209.249 1.126 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000307069759 384739144 /nfs/dbraw/zinc/73/91/44/384739144.db2.gz DFOLVAJHVLVFQM-VWYCJHECSA-N 1 0 214.378 1.564 10 0 BDAERO CC[C@@H]1CN[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000083117735 384742354 /nfs/dbraw/zinc/74/23/54/384742354.db2.gz VACVPDFFRSEHPU-WDEREUQCSA-N 1 0 214.353 1.220 10 0 BDAERO C1COC2(CCCC[C@]23CCC[NH2+]C3)O1 ZINC000083296896 384751112 /nfs/dbraw/zinc/75/11/12/384751112.db2.gz PNSQVEMYTSIHPK-LLVKDONJSA-N 1 0 211.305 1.673 10 0 BDAERO Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000125962745 384761308 /nfs/dbraw/zinc/76/13/08/384761308.db2.gz QGWKVZNPEBQUFF-JQWIXIFHSA-N 1 0 223.320 1.386 10 0 BDAERO Brc1ccc(NC2C[NH2+]C2)nc1 ZINC000085256559 384769071 /nfs/dbraw/zinc/76/90/71/384769071.db2.gz VYFKTAORWFPJIW-UHFFFAOYSA-N 1 0 228.093 1.228 10 0 BDAERO [NH3+][C@H](C(=O)N[C@H]1COc2ccccc21)C1CCC1 ZINC000335021869 384772032 /nfs/dbraw/zinc/77/20/32/384772032.db2.gz JFAMIEIQOBCHRN-AAEUAGOBSA-N 1 0 246.310 1.364 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(O)c(Br)c1 ZINC000072201256 384816660 /nfs/dbraw/zinc/81/66/60/384816660.db2.gz AJUZWQZANVPSGQ-ZETCQYMHSA-N 1 0 231.093 1.113 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000335144932 384837423 /nfs/dbraw/zinc/83/74/23/384837423.db2.gz SCSQZUDSXXRFOD-IONNQARKSA-N 1 0 242.706 1.690 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC(C)C)C1 ZINC000308572949 384823296 /nfs/dbraw/zinc/82/32/96/384823296.db2.gz LHNMVFDKKCIUMD-WDEREUQCSA-N 1 0 201.310 1.114 10 0 BDAERO CCOC[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000375840497 384823890 /nfs/dbraw/zinc/82/38/90/384823890.db2.gz LOSFSMVIQHWXOQ-WDEREUQCSA-N 1 0 223.320 1.213 10 0 BDAERO COC(=O)c1coc(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000126916749 384827706 /nfs/dbraw/zinc/82/77/06/384827706.db2.gz QJQGUDGFUIQCHU-GMSGAONNSA-N 1 0 209.245 1.564 10 0 BDAERO C[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)CC(F)F ZINC000648193485 384807949 /nfs/dbraw/zinc/80/79/49/384807949.db2.gz BMSDRPJCNSGBBO-BXKDBHETSA-N 1 0 248.317 1.926 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)CC(F)F ZINC000648194309 384812181 /nfs/dbraw/zinc/81/21/81/384812181.db2.gz YOLBCDHQLWNZGT-IUCAKERBSA-N 1 0 236.306 1.767 10 0 BDAERO CCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105890930 384814680 /nfs/dbraw/zinc/81/46/80/384814680.db2.gz MJCVUPGHZLFFJX-LBPRGKRZSA-N 1 0 223.320 1.384 10 0 BDAERO N[C@@H](C[NH3+])c1c(F)cccc1Br ZINC000072201276 384815220 /nfs/dbraw/zinc/81/52/20/384815220.db2.gz DNFBZWKYGBWUSR-ZETCQYMHSA-N 1 0 233.084 1.547 10 0 BDAERO CNc1cc(N2CCC[C@@H]2C[NH2+]C(C)C)ncn1 ZINC000105909038 384887701 /nfs/dbraw/zinc/88/77/01/384887701.db2.gz NSEABTQSKRJVQJ-LLVKDONJSA-N 1 0 249.362 1.485 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2c(C)n[nH]c2C)c1 ZINC000105908432 384888209 /nfs/dbraw/zinc/88/82/09/384888209.db2.gz GLTHTDAZICXWJQ-UHFFFAOYSA-N 1 0 233.319 1.321 10 0 BDAERO Cc1ccoc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000127143556 384845377 /nfs/dbraw/zinc/84/53/77/384845377.db2.gz DMXWBSURIPQLTF-QWRGUYRKSA-N 1 0 209.289 1.839 10 0 BDAERO CC(C)(C)OC(=O)Nc1cccc(C[NH3+])n1 ZINC000084236225 384852064 /nfs/dbraw/zinc/85/20/64/384852064.db2.gz KOPRMGZQWPDOAN-UHFFFAOYSA-N 1 0 223.276 1.887 10 0 BDAERO Cc1[nH+]c(N)nc(N)c1CCc1ccccc1 ZINC000013532478 384855892 /nfs/dbraw/zinc/85/58/92/384855892.db2.gz DEKOYQQFSHJGJR-UHFFFAOYSA-N 1 0 228.299 1.735 10 0 BDAERO O=C(NC[C@@H]1Cc2ccccc21)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188402872 384948879 /nfs/dbraw/zinc/94/88/79/384948879.db2.gz FJNKJAOLAGPQNG-GMXVVIOVSA-N 1 0 248.301 1.143 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cncc(F)c2)C1 ZINC000334748184 384890822 /nfs/dbraw/zinc/89/08/22/384890822.db2.gz XDFYQBJRCNPDMJ-BXKDBHETSA-N 1 0 224.279 1.423 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1ccccc1 ZINC000255603310 384891630 /nfs/dbraw/zinc/89/16/30/384891630.db2.gz UWZMXADUVNVJBU-YXVBKTCISA-N 1 0 230.311 1.650 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000127660946 384910576 /nfs/dbraw/zinc/91/05/76/384910576.db2.gz KELMGUREDFASEC-DVVUODLYSA-N 1 0 205.305 1.869 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000127661406 384911291 /nfs/dbraw/zinc/91/12/91/384911291.db2.gz KELMGUREDFASEC-FBIMIBRVSA-N 1 0 205.305 1.869 10 0 BDAERO Cc1nn(C)c2nccc(N[C@H](C)C[NH3+])c12 ZINC000257754939 384925357 /nfs/dbraw/zinc/92/53/57/384925357.db2.gz NKKZIZBDFWUYCP-SSDOTTSWSA-N 1 0 219.292 1.036 10 0 BDAERO [NH3+][C@H]1CCC[C@H](N=c2[nH]c3ccccc3o2)C1 ZINC000335579853 384932150 /nfs/dbraw/zinc/93/21/50/384932150.db2.gz JKXGHJDYEXUYCX-UWVGGRQHSA-N 1 0 231.299 1.932 10 0 BDAERO CC(C)n1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)nn1 ZINC000310293610 384943932 /nfs/dbraw/zinc/94/39/32/384943932.db2.gz LDXMRCVJAIGVTD-JQWIXIFHSA-N 1 0 238.335 1.516 10 0 BDAERO CCC[C@H](C)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000085790098 384967802 /nfs/dbraw/zinc/96/78/02/384967802.db2.gz UHWJFNNKSBEBFM-RYUDHWBXSA-N 1 0 214.353 1.343 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccns2)c1 ZINC000404408215 384977658 /nfs/dbraw/zinc/97/76/58/384977658.db2.gz FZMKJFSJRKXJEE-UHFFFAOYSA-N 1 0 222.317 1.438 10 0 BDAERO COC(=O)c1ccc2c(ccn2CC[NH3+])c1 ZINC000058041772 384978779 /nfs/dbraw/zinc/97/87/79/384978779.db2.gz KXRHQRVEOMPECK-UHFFFAOYSA-N 1 0 218.256 1.387 10 0 BDAERO COC[C@H]([NH2+]CC1CC(O)C1)C(C)C ZINC000087481516 384979450 /nfs/dbraw/zinc/97/94/50/384979450.db2.gz CTKPAUSRYSCIKN-ILDUYXDCSA-N 1 0 201.310 1.018 10 0 BDAERO C[C@H]([NH3+])c1cc(F)c2c(c1)CCC(=O)N2 ZINC000058113646 384982039 /nfs/dbraw/zinc/98/20/39/384982039.db2.gz WECITRVXLJMASE-LURJTMIESA-N 1 0 208.236 1.730 10 0 BDAERO C[NH2+][C@@H](CO)c1ccc(F)c(Br)c1 ZINC000038121231 384996085 /nfs/dbraw/zinc/99/60/85/384996085.db2.gz IPXIRXUGWLUMMI-VIFPVBQESA-N 1 0 248.095 1.841 10 0 BDAERO Cc1nnc(N[C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000307392217 385010750 /nfs/dbraw/zinc/01/07/50/385010750.db2.gz YDAYKETWKKZPGI-SVRRBLITSA-N 1 0 212.322 1.256 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccns3)C[C@@H]12 ZINC000404506806 385023533 /nfs/dbraw/zinc/02/35/33/385023533.db2.gz MUHKJPXLTMLZNC-FBIMIBRVSA-N 1 0 223.345 1.312 10 0 BDAERO [NH3+][C@@H]1CSC[C@H]1Cc1cncs1 ZINC000156987338 385036085 /nfs/dbraw/zinc/03/60/85/385036085.db2.gz WFLZUOVVJBIJRI-HTRCEHHLSA-N 1 0 200.332 1.376 10 0 BDAERO CCOP(=O)(OCC)[C@@H]1CCC[NH2+]1 ZINC000005718395 385042907 /nfs/dbraw/zinc/04/29/07/385042907.db2.gz LGVFMTZILPMWMU-MRVPVSSYSA-N 1 0 207.210 1.962 10 0 BDAERO FC1(c2occc2Br)CNC1 ZINC000156395306 385044833 /nfs/dbraw/zinc/04/48/33/385044833.db2.gz XMIJEXKDBPCTJA-UHFFFAOYSA-N 1 0 220.041 1.810 10 0 BDAERO COc1c(C[NH2+][C@H]2CC23CC3)c(C)nn1C ZINC000424183225 385111035 /nfs/dbraw/zinc/11/10/35/385111035.db2.gz IWJAHIHBGHAFDL-JTQLQIEISA-N 1 0 221.304 1.379 10 0 BDAERO CC(C)[C@H](C)CNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000081060308 385129786 /nfs/dbraw/zinc/12/97/86/385129786.db2.gz OGYIIPLHRUFOAT-VWYCJHECSA-N 1 0 212.337 1.250 10 0 BDAERO Cl/C=C/C[N@@H+]1CCC[C@@]12CCOC2 ZINC000306787818 385196851 /nfs/dbraw/zinc/19/68/51/385196851.db2.gz NKDZNAINUBBVCT-FWYAXHSGSA-N 1 0 201.697 1.994 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC000647032853 385167396 /nfs/dbraw/zinc/16/73/96/385167396.db2.gz DAZZCVDVOAHXMZ-SECBINFHSA-N 1 0 210.321 1.291 10 0 BDAERO CCc1ccc([C@H](C)[NH2+]CC(N)=O)cc1 ZINC000019401923 385215818 /nfs/dbraw/zinc/21/58/18/385215818.db2.gz KANJBKRKCDYKGE-VIFPVBQESA-N 1 0 206.289 1.385 10 0 BDAERO [NH3+]C[C@@]12C[C@@H]1CCN2Cc1ccccc1 ZINC000044672471 385221525 /nfs/dbraw/zinc/22/15/25/385221525.db2.gz UOCGLNOTFZZOEA-STQMWFEESA-N 1 0 202.301 1.610 10 0 BDAERO [NH3+][C@H]1CCN(CC(=O)c2ccccc2Cl)C1 ZINC000050242487 385306155 /nfs/dbraw/zinc/30/61/55/385306155.db2.gz ZRVJZIVBEUNDFG-VIFPVBQESA-N 1 0 238.718 1.556 10 0 BDAERO CC(C)c1ccc(Cn2cc(C[NH3+])nn2)cc1 ZINC000050224517 385311080 /nfs/dbraw/zinc/31/10/80/385311080.db2.gz ONYAAMXTFPMJCE-UHFFFAOYSA-N 1 0 230.315 1.909 10 0 BDAERO O=C(c1ccncc1)[C@H]1C[NH+]2CCC1CC2 ZINC000215681591 385323244 /nfs/dbraw/zinc/32/32/44/385323244.db2.gz OCSWHYWXCCQAFC-LBPRGKRZSA-N 1 0 216.284 1.606 10 0 BDAERO COC[C@@]1(c2nc(C(C)(C)C)no2)CCC[NH2+]1 ZINC000643936060 385297250 /nfs/dbraw/zinc/29/72/50/385297250.db2.gz WGYFMYQATUJLAH-GFCCVEGCSA-N 1 0 239.319 1.592 10 0 BDAERO Cc1nnc(N[C@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000307669990 385329155 /nfs/dbraw/zinc/32/91/55/385329155.db2.gz TYOYVFZOLDHQCU-XPUUQOCRSA-N 1 0 212.322 1.399 10 0 BDAERO CC(F)(F)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000409424410 385332314 /nfs/dbraw/zinc/33/23/14/385332314.db2.gz BUSWBQYNBILFSU-VHSXEESVSA-N 1 0 246.301 1.632 10 0 BDAERO CO[C@H](C[NH2+][C@H](CC(C)C)CN(C)C)C1CC1 ZINC000400167585 385333548 /nfs/dbraw/zinc/33/35/48/385333548.db2.gz LNECKODKHLAKGU-ZIAGYGMSSA-N 1 0 242.407 1.977 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)C1CCC1 ZINC000308991590 385336346 /nfs/dbraw/zinc/33/63/46/385336346.db2.gz LGWWHMOQVJKAIW-QXEWZRGKSA-N 1 0 210.321 1.432 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000309031360 385378493 /nfs/dbraw/zinc/37/84/93/385378493.db2.gz DYUYJXVYCZBFSX-QJPTWQEYSA-N 1 0 214.353 1.341 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000291280221 385381368 /nfs/dbraw/zinc/38/13/68/385381368.db2.gz UPKRTIBJGXOGPK-SVRRBLITSA-N 1 0 215.247 1.856 10 0 BDAERO Cc1c(C[NH2+][C@@H](C)CC(C)(C)O)cnn1C ZINC000295055322 385409783 /nfs/dbraw/zinc/40/97/83/385409783.db2.gz NUHOXBRHGPKDFD-VIFPVBQESA-N 1 0 225.336 1.368 10 0 BDAERO COC(=O)[C@@H](N)[C@@H](C)Sc1ccccn1 ZINC000169726769 385418091 /nfs/dbraw/zinc/41/80/91/385418091.db2.gz OKSQTGRVKYZMNK-APPZFPTMSA-N 1 0 226.301 1.063 10 0 BDAERO COC(=O)[C@H](N)[C@@H](C)Oc1cccc(Cl)c1 ZINC000169726783 385418108 /nfs/dbraw/zinc/41/81/08/385418108.db2.gz GOSFVTKSSLGKOA-GMSGAONNSA-N 1 0 243.690 1.608 10 0 BDAERO COC(=O)[C@H](N)[C@H](C)Oc1ccc(Cl)cc1 ZINC000169726795 385418566 /nfs/dbraw/zinc/41/85/66/385418566.db2.gz FCTACNBDFVWBLA-OIBJUYFYSA-N 1 0 243.690 1.608 10 0 BDAERO CCN(CC[NH3+])c1nc2ccccc2n1C ZINC000165941682 385426556 /nfs/dbraw/zinc/42/65/56/385426556.db2.gz VXBIBVATCYAPMD-UHFFFAOYSA-N 1 0 218.304 1.358 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000170867570 385451561 /nfs/dbraw/zinc/45/15/61/385451561.db2.gz PVKZYZCCCHNSMS-SNVBAGLBSA-N 1 0 248.330 1.063 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2ccco2)C1 ZINC000170858296 385451748 /nfs/dbraw/zinc/45/17/48/385451748.db2.gz PACQCOUIIHISEF-NSHDSACASA-N 1 0 236.315 1.375 10 0 BDAERO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(C)o1 ZINC000170858449 385451920 /nfs/dbraw/zinc/45/19/20/385451920.db2.gz BWWRPTQUSBLOJU-NSHDSACASA-N 1 0 236.315 1.673 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2nccs2)C1 ZINC000170874741 385452479 /nfs/dbraw/zinc/45/24/79/385452479.db2.gz PWNYKQOVHWRSKR-MRVPVSSYSA-N 1 0 240.332 1.311 10 0 BDAERO c1ccc2[nH]c(N3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000179292787 385457271 /nfs/dbraw/zinc/45/72/71/385457271.db2.gz PVYCYUNPRUQUHV-LLVKDONJSA-N 1 0 242.326 1.847 10 0 BDAERO [NH3+]C1CCN(c2ncc(Cl)s2)CC1 ZINC000642985888 385485681 /nfs/dbraw/zinc/48/56/81/385485681.db2.gz HYGMXOPDHUBSSU-UHFFFAOYSA-N 1 0 217.725 1.724 10 0 BDAERO [NH3+]C1([C@@H](O)c2cccc(Br)c2)CC1 ZINC000257819544 385503592 /nfs/dbraw/zinc/50/35/92/385503592.db2.gz AKLFHGFWHALRBG-VIFPVBQESA-N 1 0 242.116 1.974 10 0 BDAERO CCOC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183108366 385509188 /nfs/dbraw/zinc/50/91/88/385509188.db2.gz LJIYQLAWHJTGSK-QWRGUYRKSA-N 1 0 229.320 1.487 10 0 BDAERO Cc1cnc(C[NH2+][C@H]2CCCC[C@H]2O)s1 ZINC000295292450 385529931 /nfs/dbraw/zinc/52/99/31/385529931.db2.gz XDPKTEVBQJOOTJ-VHSXEESVSA-N 1 0 226.345 1.845 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O)c1cc(F)ccc1F ZINC000036779250 385531080 /nfs/dbraw/zinc/53/10/80/385531080.db2.gz LVMHXWFWGUBBTP-ZJUUUORDSA-N 1 0 201.216 1.736 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(F)cc1F ZINC000036779499 385535146 /nfs/dbraw/zinc/53/51/46/385535146.db2.gz JLAZGZHUISBNLS-ZJUUUORDSA-N 1 0 201.216 1.736 10 0 BDAERO CC(C)(C[NH2+][C@H]1CCC[C@H]1CCF)C(N)=O ZINC000309351941 385543860 /nfs/dbraw/zinc/54/38/60/385543860.db2.gz NAJZVPZQACFDKD-UWVGGRQHSA-N 1 0 230.327 1.616 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000336732170 385565298 /nfs/dbraw/zinc/56/52/98/385565298.db2.gz JFIPNFITSBVOAA-UPJWGTAASA-N 1 0 227.348 1.696 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@H]1CC1(C)C ZINC000309405756 385573079 /nfs/dbraw/zinc/57/30/79/385573079.db2.gz HZBCRICKKHJGPI-MMWGEVLESA-N 1 0 224.348 1.678 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1cccc(C)c1 ZINC000054074480 385597169 /nfs/dbraw/zinc/59/71/69/385597169.db2.gz FCZRGGACROUSPJ-SNVBAGLBSA-N 1 0 206.289 1.219 10 0 BDAERO C[C@@H]1C[C@@H](c2cccs2)CN1C(=O)C[NH3+] ZINC000309475584 385599625 /nfs/dbraw/zinc/59/96/25/385599625.db2.gz RUOZAERZIJHUTB-RKDXNWHRSA-N 1 0 224.329 1.411 10 0 BDAERO c1ccc(CN2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000250644068 385604066 /nfs/dbraw/zinc/60/40/66/385604066.db2.gz IKSVZAZIOXSKBR-QWHCGFSZSA-N 1 0 202.301 1.480 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@H]2CCO[C@H]2C)o1 ZINC000311734100 385643771 /nfs/dbraw/zinc/64/37/71/385643771.db2.gz DXCLPZFSWJYBTP-WPRPVWTQSA-N 1 0 210.277 1.558 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000309511755 385647739 /nfs/dbraw/zinc/64/77/39/385647739.db2.gz XMTQFLRSRGQOLN-ZDUSSCGKSA-N 1 0 229.364 1.894 10 0 BDAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000309550311 385688049 /nfs/dbraw/zinc/68/80/49/385688049.db2.gz FRRNECSWMOZEMG-SDDRHHMPSA-N 1 0 231.311 1.520 10 0 BDAERO Cc1cnc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)nc1 ZINC000270305900 385696260 /nfs/dbraw/zinc/69/62/60/385696260.db2.gz REQJHDWCNUHFCK-GHMZBOCLSA-N 1 0 220.320 1.171 10 0 BDAERO Cn1cnnc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336693043 385734263 /nfs/dbraw/zinc/73/42/63/385734263.db2.gz KYOQPEYJZKNDII-ZJUUUORDSA-N 1 0 226.299 1.433 10 0 BDAERO CC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186212060 385750101 /nfs/dbraw/zinc/75/01/01/385750101.db2.gz WTUIIMKLERGTIX-GHMZBOCLSA-N 1 0 213.321 1.570 10 0 BDAERO CC[C@H]1CC[C@H]1[NH2+]CCn1cc(C)cn1 ZINC000336736716 385751414 /nfs/dbraw/zinc/75/14/14/385751414.db2.gz PPLIBOAXTODCDL-NWDGAFQWSA-N 1 0 207.321 1.970 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N(Cc1ccccn1)C1CC1 ZINC000062114676 385761738 /nfs/dbraw/zinc/76/17/38/385761738.db2.gz HSVGJMJLRSHYGG-NSHDSACASA-N 1 0 245.326 1.182 10 0 BDAERO [NH3+]Cc1cc2cc(Br)cnc2[nH]1 ZINC000083049056 385771260 /nfs/dbraw/zinc/77/12/60/385771260.db2.gz CQCQEKMACPUUNY-UHFFFAOYSA-N 1 0 226.077 1.784 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000309669781 385783559 /nfs/dbraw/zinc/78/35/59/385783559.db2.gz VOFMATZCYDGFQG-GMTAPVOTSA-N 1 0 223.320 1.211 10 0 BDAERO O=C(c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000215681109 385848433 /nfs/dbraw/zinc/84/84/33/385848433.db2.gz BSAQRSLMZTWWCQ-YOGCLGLASA-N 1 0 216.284 1.795 10 0 BDAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC#N ZINC000307318010 385850802 /nfs/dbraw/zinc/85/08/02/385850802.db2.gz LNQVERYRRVKKQC-JSGCOSHPSA-N 1 0 229.327 1.968 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1c1ccccc1C ZINC000215985761 385855119 /nfs/dbraw/zinc/85/51/19/385855119.db2.gz VNDFJTYDGPQLKN-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000215986241 385855987 /nfs/dbraw/zinc/85/59/87/385855987.db2.gz LBNNWIZMDMVPSI-VXGBXAGGSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000215989573 385856095 /nfs/dbraw/zinc/85/60/95/385856095.db2.gz CRAFMMBFLQNKFY-NEPJUHHUSA-N 1 0 237.274 1.692 10 0 BDAERO CC(C)=CC[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000309691939 385794982 /nfs/dbraw/zinc/79/49/82/385794982.db2.gz QAHBCJQXQXFSIS-NSHDSACASA-N 1 0 220.320 1.457 10 0 BDAERO CC[C@@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000336767846 385929198 /nfs/dbraw/zinc/92/91/98/385929198.db2.gz SUEJWXOMYUPPLG-PWSUYJOCSA-N 1 0 215.337 1.552 10 0 BDAERO C[C@@H]1CC[C@]2(CC[NH2+][C@@H]2CO)CS1 ZINC000575535233 385902038 /nfs/dbraw/zinc/90/20/38/385902038.db2.gz RYXWFLKNLZHLQP-BBBLOLIVSA-N 1 0 201.335 1.243 10 0 BDAERO C[C@@H]1CC[C@H](N2CC[NH2+]CC2)CS1 ZINC000575535457 385904089 /nfs/dbraw/zinc/90/40/89/385904089.db2.gz MELUPWBQTDCZAB-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO CC(C)([NH3+])c1cn(CCCCCF)nn1 ZINC000308926062 385910338 /nfs/dbraw/zinc/91/03/38/385910338.db2.gz MELHWLFYWNMNCT-UHFFFAOYSA-N 1 0 214.288 1.612 10 0 BDAERO [NH3+][C@@H]1CC[C@H](NC(=O)NCc2ccccc2)C1 ZINC000306834610 385865518 /nfs/dbraw/zinc/86/55/18/385865518.db2.gz ROIYRZGGZQEXAC-NEPJUHHUSA-N 1 0 233.315 1.366 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000221283782 385983888 /nfs/dbraw/zinc/98/38/88/385983888.db2.gz RLGNMPMMFZUMBZ-MNOVXSKESA-N 1 0 240.347 1.995 10 0 BDAERO CCC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000335013980 385970752 /nfs/dbraw/zinc/97/07/52/385970752.db2.gz DMISKACSBXAIRP-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@H]([NH2+][C@H]1C[C@H]1C)C(C)(C)n1cncn1 ZINC000336773561 386105752 /nfs/dbraw/zinc/10/57/52/386105752.db2.gz YXYWPOYPZVITTI-UTLUCORTSA-N 1 0 208.309 1.400 10 0 BDAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)C(C)(C)n1cncn1 ZINC000336773559 386106755 /nfs/dbraw/zinc/10/67/55/386106755.db2.gz YXYWPOYPZVITTI-KXUCPTDWSA-N 1 0 208.309 1.400 10 0 BDAERO C[C@@H](C[NH3+])c1noc(-c2cccs2)n1 ZINC000054158719 386112180 /nfs/dbraw/zinc/11/21/80/386112180.db2.gz XWXUKLOJTLWJIP-LURJTMIESA-N 1 0 209.274 1.860 10 0 BDAERO CC[C@H]([NH2+]CCCNC(C)=O)C(C)(C)C ZINC000336753522 386062497 /nfs/dbraw/zinc/06/24/97/386062497.db2.gz GWZJDGHILJWCBB-NSHDSACASA-N 1 0 214.353 1.927 10 0 BDAERO C[C@]1(O)CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000287796806 386148722 /nfs/dbraw/zinc/14/87/22/386148722.db2.gz OGSITMRJLPBPIR-OCCSQVGLSA-N 1 0 217.312 1.783 10 0 BDAERO C[C@@H]1C[C@]([NH3+])(C2CCOCC2)CS1 ZINC000575573447 386163983 /nfs/dbraw/zinc/16/39/83/386163983.db2.gz VXOOIMNAFGACIZ-PSASIEDQSA-N 1 0 201.335 1.636 10 0 BDAERO CC(=O)c1cccc(NC(=O)NCC[C@@H](C)[NH3+])c1 ZINC000414682646 386165801 /nfs/dbraw/zinc/16/58/01/386165801.db2.gz YVWJJXGIXDBAOE-SECBINFHSA-N 1 0 249.314 1.748 10 0 BDAERO C[C@H]1C[C@]2(CC(=O)NN2)C[N@@H+]1Cc1ccccc1 ZINC000575570299 386125467 /nfs/dbraw/zinc/12/54/67/386125467.db2.gz UVODDUAJUNHEMG-FZMZJTMJSA-N 1 0 245.326 1.044 10 0 BDAERO [NH3+][C@H]1CO[C@H](c2ccncc2Br)C1 ZINC000575579711 386225630 /nfs/dbraw/zinc/22/56/30/386225630.db2.gz MEVOCAZHOOIYRQ-MUWHJKNJSA-N 1 0 243.104 1.633 10 0 BDAERO Cc1cnn(CC[NH2+]C[C@H]2CCSC2)c1 ZINC000226379637 386237286 /nfs/dbraw/zinc/23/72/86/386237286.db2.gz SUXMPDFTCCJYDP-LLVKDONJSA-N 1 0 225.361 1.534 10 0 BDAERO OC1(CC[N@@H+]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000335409834 386241596 /nfs/dbraw/zinc/24/15/96/386241596.db2.gz XCLQRSRECYOSDR-LBPRGKRZSA-N 1 0 243.372 1.109 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000417555816 386367063 /nfs/dbraw/zinc/36/70/63/386367063.db2.gz MVLUZCMJINVPGV-KKOKHZNYSA-N 1 0 239.363 1.696 10 0 BDAERO Cc1cnn([C@H]2CC[N@H+](CC3(O)CCC3)C2)c1 ZINC000334490175 386334553 /nfs/dbraw/zinc/33/45/53/386334553.db2.gz HCHANHNOHLUBCZ-LBPRGKRZSA-N 1 0 235.331 1.353 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000416818894 386400254 /nfs/dbraw/zinc/40/02/54/386400254.db2.gz ZRSVUPQGOWCCAO-GARJFASQSA-N 1 0 227.352 1.458 10 0 BDAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCOCCO ZINC000336732451 386402960 /nfs/dbraw/zinc/40/29/60/386402960.db2.gz JNXLUEDNEWQCDI-STQMWFEESA-N 1 0 229.364 1.944 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000521399067 386424604 /nfs/dbraw/zinc/42/46/04/386424604.db2.gz XLKQNJITZONLDY-CABZTGNLSA-N 1 0 226.320 1.735 10 0 BDAERO COC[C@@]1(C(=O)N[C@@H](C)C2CC2)CCCC[NH2+]1 ZINC000637892745 386523621 /nfs/dbraw/zinc/52/36/21/386523621.db2.gz LXXDXJVRBNEQIG-GXFFZTMASA-N 1 0 240.347 1.060 10 0 BDAERO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000238799729 386532293 /nfs/dbraw/zinc/53/22/93/386532293.db2.gz SIDVGRIVHQRPIH-GXSJLCMTSA-N 1 0 207.273 1.366 10 0 BDAERO [NH3+][C@@H]1CCO[C@H]1c1nccn1-c1ccccc1 ZINC000238854719 386536366 /nfs/dbraw/zinc/53/63/66/386536366.db2.gz OWAHJAFDTMVXCV-VXGBXAGGSA-N 1 0 229.283 1.661 10 0 BDAERO CC(C)[C@H](C(=O)N[C@@H](C)C1CC1)[C@@H](C)[NH3+] ZINC000399433926 386561152 /nfs/dbraw/zinc/56/11/52/386561152.db2.gz MJDMSRVCYSBGRH-YWVKMMECSA-N 1 0 212.337 1.521 10 0 BDAERO Cc1nc(N[C@@H](C)C[NH3+])ncc1Br ZINC000307414796 386645553 /nfs/dbraw/zinc/64/55/53/386645553.db2.gz MKRDIVSOEIHZKB-YFKPBYRVSA-N 1 0 245.124 1.307 10 0 BDAERO Cc1nc(N[C@H](C)C[NH3+])ncc1Br ZINC000307414795 386646748 /nfs/dbraw/zinc/64/67/48/386646748.db2.gz MKRDIVSOEIHZKB-RXMQYKEDSA-N 1 0 245.124 1.307 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2ccccc2O)C[C@@H]1[NH3+] ZINC000335515080 386652754 /nfs/dbraw/zinc/65/27/54/386652754.db2.gz GSNHSJVJNMNSKP-PWSUYJOCSA-N 1 0 248.326 1.130 10 0 BDAERO O=C(NCC1CC=CC1)[C@H]1CCC[NH2+]C1 ZINC000638490578 386616184 /nfs/dbraw/zinc/61/61/84/386616184.db2.gz AOOZHFNYXCVNNJ-NSHDSACASA-N 1 0 208.305 1.068 10 0 BDAERO Cc1nnc(CC[NH2+]C[C@@H](O)C(C)(C)C)s1 ZINC000391904059 386692283 /nfs/dbraw/zinc/69/22/83/386692283.db2.gz AADFJGVHDBOYTH-SECBINFHSA-N 1 0 243.376 1.386 10 0 BDAERO c1ccc(COC2CC(N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000520565643 386694841 /nfs/dbraw/zinc/69/48/41/386694841.db2.gz RTUBYLGJNVKKJC-NFOMZHRRSA-N 1 0 246.354 1.686 10 0 BDAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC000269302742 386776683 /nfs/dbraw/zinc/77/66/83/386776683.db2.gz RJIJDFNVROLOJY-ZYHUDNBSSA-N 1 0 248.326 1.624 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(F)cc1Br ZINC000044470347 386778238 /nfs/dbraw/zinc/77/82/38/386778238.db2.gz DAPFBRCCNZYDCI-QMMMGPOBSA-N 1 0 233.084 1.547 10 0 BDAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccccn1 ZINC000396584861 386779283 /nfs/dbraw/zinc/77/92/83/386779283.db2.gz QSPPUQGHUUGJJR-GMXVVIOVSA-N 1 0 219.332 1.873 10 0 BDAERO Cc1cnc(N2CC[C@H](C)[C@@H](C[NH3+])C2)nc1C ZINC000395304477 386809117 /nfs/dbraw/zinc/80/91/17/386809117.db2.gz WSCZGVVSDWRSID-CABZTGNLSA-N 1 0 234.347 1.515 10 0 BDAERO Cc1nnc(C[C@@]2(F)CC[NH2+]C2)s1 ZINC000575453304 386809874 /nfs/dbraw/zinc/80/98/74/386809874.db2.gz FARFXFXXWDSKCU-QMMMGPOBSA-N 1 0 201.270 1.091 10 0 BDAERO CC[C@@H]([NH2+]CCNC(=O)C1CC1)C(C)(C)C ZINC000336675576 386853400 /nfs/dbraw/zinc/85/34/00/386853400.db2.gz BLSGNNRMVMNEHB-LLVKDONJSA-N 1 0 226.364 1.927 10 0 BDAERO COC(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116288098 386930994 /nfs/dbraw/zinc/93/09/94/386930994.db2.gz FYCORLDOMWKASO-SNVBAGLBSA-N 1 0 223.272 1.980 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@H]2C1 ZINC000398704859 386960488 /nfs/dbraw/zinc/96/04/88/386960488.db2.gz AOSNCQUYVXGEOF-FDYHWXHSSA-N 1 0 225.332 1.258 10 0 BDAERO CCOC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398711991 386963960 /nfs/dbraw/zinc/96/39/60/386963960.db2.gz PBSKAUHSIXBJRY-SDDRHHMPSA-N 1 0 241.331 1.032 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399478255 386964212 /nfs/dbraw/zinc/96/42/12/386964212.db2.gz YEVHTJMLJMMKAB-WHOHXGKFSA-N 1 0 226.364 1.911 10 0 BDAERO CCCCOCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398720387 386966370 /nfs/dbraw/zinc/96/63/70/386966370.db2.gz RQWOADXGHRFFBC-IHRRRGAJSA-N 1 0 241.375 1.896 10 0 BDAERO Cc1cncc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000398727871 386971856 /nfs/dbraw/zinc/97/18/56/386971856.db2.gz FWGNROJXVGDODC-SOUVJXGZSA-N 1 0 246.354 1.983 10 0 BDAERO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398733795 386976362 /nfs/dbraw/zinc/97/63/62/386976362.db2.gz WLRRUEYDUDVBRK-FIQHERPVSA-N 1 0 241.331 1.031 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1S[C@@H]1CCOC1 ZINC000575575862 387003970 /nfs/dbraw/zinc/00/39/70/387003970.db2.gz OAMUAVZMOCSCSJ-BBBLOLIVSA-N 1 0 201.335 1.778 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@]2(C)C[NH2+]C[C@]2(C)C1 ZINC000238186785 387034383 /nfs/dbraw/zinc/03/43/83/387034383.db2.gz NJFBBPHTKSLXPH-CHWSQXEVSA-N 1 0 240.347 1.853 10 0 BDAERO Cc1nnc(C[C@H]2CSC[C@@H]2[NH3+])s1 ZINC000575459580 387035712 /nfs/dbraw/zinc/03/57/12/387035712.db2.gz HGJPPKUSWPNBEY-BQBZGAKWSA-N 1 0 215.347 1.079 10 0 BDAERO CCOc1nccnc1N1CC[C@@](C)(C[NH3+])C1 ZINC000514664720 387065672 /nfs/dbraw/zinc/06/56/72/387065672.db2.gz RXYAYROQTGIYAG-LBPRGKRZSA-N 1 0 236.319 1.050 10 0 BDAERO CCSCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398890513 387013121 /nfs/dbraw/zinc/01/31/21/387013121.db2.gz ZHGNPMPCICJZSD-SDDRHHMPSA-N 1 0 229.389 1.832 10 0 BDAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1cc(Br)nn1C ZINC000575455525 387027864 /nfs/dbraw/zinc/02/78/64/387027864.db2.gz MKPHLKMNLWYBIK-RRKCRQDMSA-N 1 0 244.136 1.633 10 0 BDAERO O[C@@H]1CC[N@H+](C[C@H]2Cc3ccccc3O2)C1 ZINC000085537838 387069387 /nfs/dbraw/zinc/06/93/87/387069387.db2.gz SMPXELRWYRUCKZ-VXGBXAGGSA-N 1 0 219.284 1.057 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cnccn2)C1 ZINC000246381061 387080448 /nfs/dbraw/zinc/08/04/48/387080448.db2.gz KBAXKGFLTUOIKY-MBNYWOFBSA-N 1 0 248.374 1.856 10 0 BDAERO Cc1cc(C)n(C[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000070941863 387084646 /nfs/dbraw/zinc/08/46/46/387084646.db2.gz MLRYYCUDHBXEKW-CYBMUJFWSA-N 1 0 237.347 1.609 10 0 BDAERO CCCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113231662 387114325 /nfs/dbraw/zinc/11/43/25/387114325.db2.gz SEQJBBHINKAOJD-RYUDHWBXSA-N 1 0 224.348 1.872 10 0 BDAERO CC(C)Cc1nc(Cl)cc(NN)[nH+]1 ZINC000575436536 387117293 /nfs/dbraw/zinc/11/72/93/387117293.db2.gz KKPURDHGLZEEBO-UHFFFAOYSA-N 1 0 200.673 1.614 10 0 BDAERO COc1cc([C@H]([NH3+])CCF)cc(OC)c1O ZINC000575438756 387119395 /nfs/dbraw/zinc/11/93/95/387119395.db2.gz IBLIXMVKEZARIH-MRVPVSSYSA-N 1 0 229.251 1.769 10 0 BDAERO [NH3+]CCCC[C@H]([NH3+])c1ccccc1C(=O)[O-] ZINC000575440341 387123054 /nfs/dbraw/zinc/12/30/54/387123054.db2.gz OXHUSAFPNSXAKT-NSHDSACASA-N 1 0 222.288 1.514 10 0 BDAERO Cc1occc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000321350080 387127139 /nfs/dbraw/zinc/12/71/39/387127139.db2.gz BUBXVOOBLSEUPM-KWQFWETISA-N 1 0 222.288 1.345 10 0 BDAERO [NH3+]CCC[C@@H]([NH3+])c1ccccc1C(=O)[O-] ZINC000575440072 387127253 /nfs/dbraw/zinc/12/72/53/387127253.db2.gz SNDGHWGIQGVAAI-SNVBAGLBSA-N 1 0 208.261 1.124 10 0 BDAERO CC(C)[C@](C)(O)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000187048504 387153037 /nfs/dbraw/zinc/15/30/37/387153037.db2.gz VWCIVBNSRSLRIC-QNMSZWNNSA-N 1 0 241.375 1.486 10 0 BDAERO CC(C)N1C(=O)c2ccccc2[C@H]1C[NH3+] ZINC000108315622 387153752 /nfs/dbraw/zinc/15/37/52/387153752.db2.gz SGNZAXGVIGTFSK-LLVKDONJSA-N 1 0 204.273 1.551 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccnc(Cl)c1 ZINC000238363279 387157920 /nfs/dbraw/zinc/15/79/20/387157920.db2.gz JAASWIUTZAQQKG-ZETCQYMHSA-N 1 0 214.652 1.298 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH3+])CCC[C@@H]12 ZINC000238107828 387158208 /nfs/dbraw/zinc/15/82/08/387158208.db2.gz TUBKTTUXJKGATN-SKDRFNHKSA-N 1 0 226.320 1.877 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH3+])CCC[C@H]12 ZINC000238107850 387158308 /nfs/dbraw/zinc/15/83/08/387158308.db2.gz TUBKTTUXJKGATN-CABZTGNLSA-N 1 0 226.320 1.877 10 0 BDAERO C[C@@H]1CSC[C@H]1N1CCC[C@@H]([NH3+])C1 ZINC000306445654 387166052 /nfs/dbraw/zinc/16/60/52/387166052.db2.gz QZGVGLCNNAOBLE-OPRDCNLKSA-N 1 0 200.351 1.161 10 0 BDAERO CC1CC(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000572875368 387180328 /nfs/dbraw/zinc/18/03/28/387180328.db2.gz FAAYSAWYRJOENN-RSJDFQLWSA-N 1 0 222.332 1.243 10 0 BDAERO C[C@@H]1C[C@H](N)C[N@@H+]1C[C@H]1CCSC1 ZINC000575588310 387184356 /nfs/dbraw/zinc/18/43/56/387184356.db2.gz AJDDXYGNDHXMGQ-BBBLOLIVSA-N 1 0 200.351 1.161 10 0 BDAERO C[C@@H]1COC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000575483051 387186603 /nfs/dbraw/zinc/18/66/03/387186603.db2.gz FBALOSBAGPXOIK-ZYHUDNBSSA-N 1 0 233.315 1.335 10 0 BDAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000120672927 387191884 /nfs/dbraw/zinc/19/18/84/387191884.db2.gz OTZORJCOBWPOOG-GWOFURMSSA-N 1 0 228.336 1.057 10 0 BDAERO C[C@@H]1C[C@@H](N)C[N@H+]1[C@H]1CSC[C@H]1C ZINC000575590166 387202706 /nfs/dbraw/zinc/20/27/06/387202706.db2.gz GIUXMMKZRFVOAA-KYXWUPHJSA-N 1 0 200.351 1.159 10 0 BDAERO CCC[C@](C)(O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300415567 387208005 /nfs/dbraw/zinc/20/80/05/387208005.db2.gz WKSFDCSZEIKTBI-BYNQJWBRSA-N 1 0 241.375 1.941 10 0 BDAERO CSC[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000187831049 387214976 /nfs/dbraw/zinc/21/49/76/387214976.db2.gz OUMQNHXCHSJDSW-WOPDTQHZSA-N 1 0 245.388 1.354 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000571980947 387214953 /nfs/dbraw/zinc/21/49/53/387214953.db2.gz IOUUZYDMMJCZQR-XQHKEYJVSA-N 1 0 226.364 1.626 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCC1(C)C ZINC000575591610 387215325 /nfs/dbraw/zinc/21/53/25/387215325.db2.gz PWOXKGMNCTVYAU-RKDXNWHRSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1c(C[NH2+]C[C@@](C)(O)C(C)C)cnn1C ZINC000229810212 387200330 /nfs/dbraw/zinc/20/03/30/387200330.db2.gz ILMCBXWKANWSCA-GFCCVEGCSA-N 1 0 225.336 1.225 10 0 BDAERO C1C[C@@H](SC2=[NH+]CCCCN2)CS1 ZINC000575490927 387275087 /nfs/dbraw/zinc/27/50/87/387275087.db2.gz XKLUZBKYJNMIIJ-MRVPVSSYSA-N 1 0 216.375 1.965 10 0 BDAERO CC1CN([C@@]2(C[NH3+])CS[C@@H](C)C2)C1 ZINC000575494425 387278101 /nfs/dbraw/zinc/27/81/01/387278101.db2.gz RLYJZYNNDZYXLC-UWVGGRQHSA-N 1 0 200.351 1.161 10 0 BDAERO Cc1ccc(CN[C@@H]2CC[NH2+]C2)nc1C ZINC000314837458 387279467 /nfs/dbraw/zinc/27/94/67/387279467.db2.gz SYBWYYODNFMGGC-LLVKDONJSA-N 1 0 205.305 1.150 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000392882618 387294992 /nfs/dbraw/zinc/29/49/92/387294992.db2.gz JJPCKOGNYVTVHG-GARJFASQSA-N 1 0 240.347 1.201 10 0 BDAERO Cc1cnc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000514854852 387297967 /nfs/dbraw/zinc/29/79/67/387297967.db2.gz ZZNQEAITUSKOGW-QWRGUYRKSA-N 1 0 239.388 1.929 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000392944491 387303743 /nfs/dbraw/zinc/30/37/43/387303743.db2.gz XEJFQUJRVMHYSD-IVZWLZJFSA-N 1 0 246.301 1.679 10 0 BDAERO CCO[C@@H]1C[C@H]([N@H+](C)CC(N)=O)C12CCCC2 ZINC000121155926 387305040 /nfs/dbraw/zinc/30/50/40/387305040.db2.gz VZNJVFJXLUUFMB-WDEREUQCSA-N 1 0 240.347 1.141 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](CCOCC3CC3)C2)cn1 ZINC000121192551 387305886 /nfs/dbraw/zinc/30/58/86/387305886.db2.gz HDKOTBSKWHZVPH-ZDUSSCGKSA-N 1 0 249.358 1.636 10 0 BDAERO Cc1cnn(CC[NH2+]CC[C@@H]2CCOC2)c1 ZINC000303491632 387364479 /nfs/dbraw/zinc/36/44/79/387364479.db2.gz XHKWBBIRULTNJL-GFCCVEGCSA-N 1 0 223.320 1.208 10 0 BDAERO C[NH2+][C@@H]1CO[C@H]([C@@]2(C)CCCS2)C1 ZINC000575511251 387381985 /nfs/dbraw/zinc/38/19/85/387381985.db2.gz XXAYJZJCJSMBIU-LPEHRKFASA-N 1 0 201.335 1.649 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000286908759 387346668 /nfs/dbraw/zinc/34/66/68/387346668.db2.gz MBYBDQRDFQJUBQ-SUHUHFCYSA-N 1 0 244.338 1.583 10 0 BDAERO CCOc1nccnc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000515224854 387347260 /nfs/dbraw/zinc/34/72/60/387347260.db2.gz KVCAJIAFOQMSLF-GARJFASQSA-N 1 0 248.330 1.049 10 0 BDAERO FCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000121463709 387353399 /nfs/dbraw/zinc/35/33/99/387353399.db2.gz HKUKMPZQWQCSOX-WDEREUQCSA-N 1 0 201.285 1.989 10 0 BDAERO CCCc1nsc(N[C@H](C)C[NH3+])n1 ZINC000083670810 387423600 /nfs/dbraw/zinc/42/36/00/387423600.db2.gz XUFROTBTRSLKBT-ZCFIWIBFSA-N 1 0 200.311 1.250 10 0 BDAERO C([NH2+][C@H]1CCSC1)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC000306577429 387436951 /nfs/dbraw/zinc/43/69/51/387436951.db2.gz LILBATXEPZYWEX-XWLWVQCSSA-N 1 0 213.346 1.649 10 0 BDAERO C[N@H+](CCOC(C)(C)C)[C@H]1CCC[C@@H]1O ZINC000352699037 387442572 /nfs/dbraw/zinc/44/25/72/387442572.db2.gz OCJSBYCUCFTWPJ-QWRGUYRKSA-N 1 0 215.337 1.647 10 0 BDAERO CC1(C)[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H]2CCO[C@@H]21 ZINC000082944208 387392048 /nfs/dbraw/zinc/39/20/48/387392048.db2.gz IWVIYVGJLFNCLX-BJDJZHNGSA-N 1 0 225.332 1.426 10 0 BDAERO C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423638298 387392600 /nfs/dbraw/zinc/39/26/00/387392600.db2.gz IMAWLBMJBHEZPV-GMXVVIOVSA-N 1 0 248.326 1.402 10 0 BDAERO CC[N@H+](C[C@@H](C)OC)CC1(O)CCC1 ZINC000361574691 387498275 /nfs/dbraw/zinc/49/82/75/387498275.db2.gz ZTVXMTIOWXRUJL-SNVBAGLBSA-N 1 0 201.310 1.258 10 0 BDAERO CC[C@@H](C[N@@H+]1CCC[C@@H]1CCCO)OC ZINC000396999692 387532047 /nfs/dbraw/zinc/53/20/47/387532047.db2.gz FKCUSYHITMVWDT-NEPJUHHUSA-N 1 0 215.337 1.648 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000324619854 387469600 /nfs/dbraw/zinc/46/96/00/387469600.db2.gz PLDOJZMXNANDOL-WDEREUQCSA-N 1 0 214.353 1.125 10 0 BDAERO Cc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)nn1 ZINC000396705289 387483199 /nfs/dbraw/zinc/48/31/99/387483199.db2.gz IYCMIGYXRBUMGO-GXTWGEPZSA-N 1 0 246.358 1.454 10 0 BDAERO CC(C)(C)[NH2+]CCNC[C@@H](O)C(C)(C)C ZINC000324640388 387489866 /nfs/dbraw/zinc/48/98/66/387489866.db2.gz XDDRJBMHMDPZBJ-SNVBAGLBSA-N 1 0 216.369 1.371 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)ccn1 ZINC000527539369 387609310 /nfs/dbraw/zinc/60/93/10/387609310.db2.gz NGPUMOIRPWTFIA-ZYHUDNBSSA-N 1 0 233.315 1.147 10 0 BDAERO O=C1NCCCC[C@@H]1[N@@H+]1CCC2(CCCC2)C1 ZINC000120238753 387565495 /nfs/dbraw/zinc/56/54/95/387565495.db2.gz UPTYOGGOAHMTNV-LBPRGKRZSA-N 1 0 236.359 1.921 10 0 BDAERO C[C@@H]1CC[C@@H](N[C@H]2CC[NH2+]C2)CS1 ZINC000575535471 387574813 /nfs/dbraw/zinc/57/48/13/387574813.db2.gz VPZCFIIILCTJSJ-KXUCPTDWSA-N 1 0 200.351 1.222 10 0 BDAERO C[C@@H]1CC[C@H](N2CC[C@H]([NH3+])C2)CS1 ZINC000575535755 387577099 /nfs/dbraw/zinc/57/70/99/387577099.db2.gz ZRWDBFCCARPHJV-UTLUCORTSA-N 1 0 200.351 1.304 10 0 BDAERO [NH3+]C[C@@H]1C[C@H]1c1ccncc1Br ZINC000575546714 387632356 /nfs/dbraw/zinc/63/23/56/387632356.db2.gz ULJOHXDVCAIYEJ-POYBYMJQSA-N 1 0 227.105 1.906 10 0 BDAERO [NH3+]C/C=C/c1ccncc1Br ZINC000575549049 387648123 /nfs/dbraw/zinc/64/81/23/387648123.db2.gz GXBASQTXADHQGS-OWOJBTEDSA-N 1 0 213.078 1.816 10 0 BDAERO COc1cc(C2([NH3+])CSC2)sn1 ZINC000575549809 387650645 /nfs/dbraw/zinc/65/06/45/387650645.db2.gz LXJPDPVIUSOCGH-UHFFFAOYSA-N 1 0 202.304 1.053 10 0 BDAERO [NH3+][C@]1(Cc2cncs2)CCSC1 ZINC000575572235 387746091 /nfs/dbraw/zinc/74/60/91/387746091.db2.gz NIORBDSRSAJFAF-QMMMGPOBSA-N 1 0 200.332 1.520 10 0 BDAERO COC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000126895251 387698231 /nfs/dbraw/zinc/69/82/31/387698231.db2.gz LUCBTNQLIUZZTA-MNOVXSKESA-N 1 0 225.288 1.424 10 0 BDAERO Cc1cc([C@]2([NH3+])CSC[C@@H]2C)sn1 ZINC000575562270 387701577 /nfs/dbraw/zinc/70/15/77/387701577.db2.gz XLPYEDGBUFXRDZ-RCOVLWMOSA-N 1 0 214.359 1.988 10 0 BDAERO C[C@H]1SCC[C@]1([NH3+])Cc1cnsn1 ZINC000575567443 387736549 /nfs/dbraw/zinc/73/65/49/387736549.db2.gz JPZPCHJMFAAKSS-SVRRBLITSA-N 1 0 215.347 1.304 10 0 BDAERO CC1(C)[C@H]([NH2+]CCC2CC(O)C2)[C@H]2CCO[C@H]21 ZINC000432431545 387790265 /nfs/dbraw/zinc/79/02/65/387790265.db2.gz WQZZBPHVJQFLCW-RKJHCZSYSA-N 1 0 239.359 1.551 10 0 BDAERO COc1c(C[NH2+][C@H]2CC=CCC2)c(C)nn1C ZINC000134871671 387811760 /nfs/dbraw/zinc/81/17/60/387811760.db2.gz VAUCMIYXVPDJJZ-NSHDSACASA-N 1 0 235.331 1.935 10 0 BDAERO CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)CCO1 ZINC000423015970 387838907 /nfs/dbraw/zinc/83/89/07/387838907.db2.gz ARVQCSBVLOQORK-TUAOUCFPSA-N 1 0 226.364 1.532 10 0 BDAERO C1CCC2(C1)[C@H](N[C@@H]1CC[NH2+]C1)[C@@H]1CCO[C@H]12 ZINC000423033609 387849382 /nfs/dbraw/zinc/84/93/82/387849382.db2.gz XEDDERFOHLEGNT-YVECIDJPSA-N 1 0 236.359 1.286 10 0 BDAERO CCC(CC)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000193724781 387861413 /nfs/dbraw/zinc/86/14/13/387861413.db2.gz FTDVYVNDAPDDIK-LBPRGKRZSA-N 1 0 239.363 1.665 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000423104065 387889865 /nfs/dbraw/zinc/88/98/65/387889865.db2.gz PTFIFGWDQQDUFQ-USZNOCQGSA-N 1 0 212.337 1.142 10 0 BDAERO O=C(C(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000236131275 387875299 /nfs/dbraw/zinc/87/52/99/387875299.db2.gz VCEKXILRNSVPAQ-UHFFFAOYSA-N 1 0 232.274 1.338 10 0 BDAERO CC[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 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387983565 /nfs/dbraw/zinc/98/35/65/387983565.db2.gz YIEQHHYECPFGBG-VIFPVBQESA-N 1 0 212.318 1.872 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccnn1C ZINC000245988021 388000990 /nfs/dbraw/zinc/00/09/90/388000990.db2.gz HODJXZIVRDHDLC-OCCSQVGLSA-N 1 0 248.374 1.479 10 0 BDAERO C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C1CC1 ZINC000246122542 388012120 /nfs/dbraw/zinc/01/21/20/388012120.db2.gz DDWJVLDPWLSUHO-MDZLAQPJSA-N 1 0 236.359 1.728 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)OC ZINC000246139924 388013794 /nfs/dbraw/zinc/01/37/94/388013794.db2.gz ZVJPFGJDFONLNZ-RYUDHWBXSA-N 1 0 240.347 1.108 10 0 BDAERO C[NH+](C)C[C@@H]1CN([C@@H]2C=CCCC2)CCO1 ZINC000246239666 388022214 /nfs/dbraw/zinc/02/22/14/388022214.db2.gz IWQJIQHMXXORNG-CHWSQXEVSA-N 1 0 224.348 1.358 10 0 BDAERO OC1(Cc2sccc2Cl)C[NH2+]C1 ZINC000306406830 388051666 /nfs/dbraw/zinc/05/16/66/388051666.db2.gz XOAQXOGAXOEQNL-UHFFFAOYSA-N 1 0 203.694 1.278 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccn1C ZINC000083550722 388054721 /nfs/dbraw/zinc/05/47/21/388054721.db2.gz NFVFNAIXKHFLJT-NWDGAFQWSA-N 1 0 234.347 1.089 10 0 BDAERO CC(C)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000083703934 388058979 /nfs/dbraw/zinc/05/89/79/388058979.db2.gz VJQLJAOGIMALCW-NWDGAFQWSA-N 1 0 224.348 1.728 10 0 BDAERO COC1(CC[NH2+]Cc2cnn(C)c2C)CCC1 ZINC000336657867 388073506 /nfs/dbraw/zinc/07/35/06/388073506.db2.gz NWLYANBAWNYMTR-UHFFFAOYSA-N 1 0 237.347 1.777 10 0 BDAERO [NH3+]C[C@@H](O)Cc1ccc(F)c(Cl)c1 ZINC000071508795 388095856 /nfs/dbraw/zinc/09/58/56/388095856.db2.gz GHQSNXCFYIKBBM-ZETCQYMHSA-N 1 0 203.644 1.341 10 0 BDAERO Cc1cc(Br)cnc1N[C@H](C)C[NH3+] ZINC000086708553 388106924 /nfs/dbraw/zinc/10/69/24/388106924.db2.gz ABXFDPGVYJOMGQ-SSDOTTSWSA-N 1 0 244.136 1.912 10 0 BDAERO COC1(CC[N@@H+]2CC[C@H](CCO)C2)CCC1 ZINC000336661618 388107430 /nfs/dbraw/zinc/10/74/30/388107430.db2.gz TYVGVYMOLNYCPU-GFCCVEGCSA-N 1 0 227.348 1.650 10 0 BDAERO c1cc2c(cc1N1CCOCC1)C[NH2+]CC2 ZINC000082656312 388125769 /nfs/dbraw/zinc/12/57/69/388125769.db2.gz ZXPJKCXMTTWMAF-UHFFFAOYSA-N 1 0 218.300 1.169 10 0 BDAERO Cc1ccccc1[C@]1(O)C[N@@H+](C)C[C@@H]1C ZINC000521400937 256517035 /nfs/dbraw/zinc/51/70/35/256517035.db2.gz DCXUMIQCJHKEAO-AAEUAGOBSA-N 1 0 205.301 1.764 10 0 BDAERO CCC[C@H](C(=O)N1CCO[C@@H](CC)C1)[NH+](C)C ZINC000179394244 256513430 /nfs/dbraw/zinc/51/34/30/256513430.db2.gz YFCACFVCUURNMH-NWDGAFQWSA-N 1 0 242.363 1.354 10 0 BDAERO COCC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000228580007 388255085 /nfs/dbraw/zinc/25/50/85/388255085.db2.gz RMWSNOZLBFVQSJ-WDEREUQCSA-N 1 0 229.320 1.296 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000162421363 388351623 /nfs/dbraw/zinc/35/16/23/388351623.db2.gz KURFFDLFFCXIKD-GHMZBOCLSA-N 1 0 237.351 1.922 10 0 BDAERO [NH3+][C@H]1CC[C@@H](Cn2nncc2Br)C1 ZINC000575523314 388358859 /nfs/dbraw/zinc/35/88/59/388358859.db2.gz JRBFOSLWYKEQMI-RQJHMYQMSA-N 1 0 245.124 1.168 10 0 BDAERO CSCCCCC[NH2+]CC(C)(C)O ZINC000235133834 388365256 /nfs/dbraw/zinc/36/52/56/388365256.db2.gz QRDAGCMSUUGTHO-UHFFFAOYSA-N 1 0 205.367 1.880 10 0 BDAERO CC1(C)CN(C(=O)CC2CC2)CC[C@@H]1[NH3+] ZINC000261533828 135165803 /nfs/dbraw/zinc/16/58/03/135165803.db2.gz LILIJFMSBPXMTP-JTQLQIEISA-N 1 0 210.321 1.372 10 0 BDAERO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCn1cncn1 ZINC000294339225 388398751 /nfs/dbraw/zinc/39/87/51/388398751.db2.gz RZZJCEZIVIBVQK-NSHDSACASA-N 1 0 246.314 1.205 10 0 BDAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CNC(=O)O1 ZINC000309710943 388462264 /nfs/dbraw/zinc/46/22/64/388462264.db2.gz QPZFJDIQMZCRLD-MXWKQRLJSA-N 1 0 226.320 1.653 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cnccn1 ZINC000134246880 388474894 /nfs/dbraw/zinc/47/48/94/388474894.db2.gz NTMGBEGZNKRIMF-LPEHRKFASA-N 1 0 207.277 1.305 10 0 BDAERO C[C@@H]([NH3+])C[C@H](C)NC(=O)CC(F)(F)F ZINC000165653766 388407341 /nfs/dbraw/zinc/40/73/41/388407341.db2.gz WRSPUKISLQRYKP-RITPCOANSA-N 1 0 212.215 1.181 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1CC1(C)C ZINC000397564588 388479076 /nfs/dbraw/zinc/47/90/76/388479076.db2.gz CBHOKZLBIUBYPW-OUAUKWLOSA-N 1 0 224.348 1.679 10 0 BDAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@H]2C1 ZINC000245524521 388422339 /nfs/dbraw/zinc/42/23/39/388422339.db2.gz NRZZXPSLSQBNHO-PWSUYJOCSA-N 1 0 233.315 1.181 10 0 BDAERO COC1(CC[NH2+][C@@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000339154708 388479893 /nfs/dbraw/zinc/47/98/93/388479893.db2.gz BVEXXVPNHBBBQP-WDEREUQCSA-N 1 0 240.347 1.202 10 0 BDAERO Cc1cc(C)c2c(c1)[C@H]([NH3+])CC[S@]2=O ZINC000040974546 388430007 /nfs/dbraw/zinc/43/00/07/388430007.db2.gz OUZRLWPGJJULCC-YGRLFVJLSA-N 1 0 209.314 1.815 10 0 BDAERO C[NH2+][C@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976345 388430024 /nfs/dbraw/zinc/43/00/24/388430024.db2.gz PZHHNGUHASSHMK-XPTSAGLGSA-N 1 0 213.277 1.598 10 0 BDAERO [NH3+]CC[S@@](=O)c1ccc(F)c(F)c1 ZINC000040954872 388430206 /nfs/dbraw/zinc/43/02/06/388430206.db2.gz LJTKGSDHPSPCSL-ZDUSSCGKSA-N 1 0 205.229 1.031 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000298434972 388438538 /nfs/dbraw/zinc/43/85/38/388438538.db2.gz QHGSEMUHHYROKW-SNPRPXQTSA-N 1 0 249.354 1.955 10 0 BDAERO CC(C)[C@](C)(CO)[NH2+]C[C@H](O)COC(C)(C)C ZINC000352895722 388540378 /nfs/dbraw/zinc/54/03/78/388540378.db2.gz WGPOEDYRWVJJHH-AAEUAGOBSA-N 1 0 247.379 1.159 10 0 BDAERO Cc1c(C[NH2+]CCN2CC=CCC2)cnn1C ZINC000355470385 388547042 /nfs/dbraw/zinc/54/70/42/388547042.db2.gz KJMCFZLGWYMUSE-UHFFFAOYSA-N 1 0 234.347 1.080 10 0 BDAERO Cn1ncnc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378743226 388493757 /nfs/dbraw/zinc/49/37/57/388493757.db2.gz QEPUFYGDVHHTPX-IVZWLZJFSA-N 1 0 206.293 1.093 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1c1ccnc2cccnc21 ZINC000341019478 388493806 /nfs/dbraw/zinc/49/38/06/388493806.db2.gz SOALCNYHZDPIOK-NXEZZACHSA-N 1 0 228.299 1.556 10 0 BDAERO c1cnc2c(c1)nccc2N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000341020915 388493880 /nfs/dbraw/zinc/49/38/80/388493880.db2.gz VKFGYXITVDBKMJ-QWRGUYRKSA-N 1 0 240.310 1.285 10 0 BDAERO C[C@H](CCO)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000397781585 388499130 /nfs/dbraw/zinc/49/91/30/388499130.db2.gz OXFMQEMKUSHTHX-LOWDOPEQSA-N 1 0 241.375 1.798 10 0 BDAERO CSCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000178989786 388508600 /nfs/dbraw/zinc/50/86/00/388508600.db2.gz PSOXFWYSEMDFIF-LLVKDONJSA-N 1 0 244.404 1.586 10 0 BDAERO CC[C@]1([NH2+]C[C@@H]2CCC[C@H](O)C2)CCOC1 ZINC000378826244 388515335 /nfs/dbraw/zinc/51/53/35/388515335.db2.gz HPBLKJOULRKKAA-AGIUHOORSA-N 1 0 227.348 1.696 10 0 BDAERO COC(=O)CC1(C[NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000348186899 388525567 /nfs/dbraw/zinc/52/55/67/388525567.db2.gz RWFUMXIVOVWTKF-NXEZZACHSA-N 1 0 227.304 1.097 10 0 BDAERO [NH3+][C@@H](CNc1ccnc2cccnc21)C1CC1 ZINC000379147224 388590703 /nfs/dbraw/zinc/59/07/03/388590703.db2.gz DFXVHZFPRGMJBR-JTQLQIEISA-N 1 0 228.299 1.201 10 0 BDAERO CC[C@@H](C)[S@@](=O)C1CCC([NH3+])CC1 ZINC000055144818 388596236 /nfs/dbraw/zinc/59/62/36/388596236.db2.gz FIJLOPGXOCWZIU-MFZLWJIHSA-N 1 0 203.351 1.804 10 0 BDAERO CC(C)(C)[S@@](=O)C1CCC([NH3+])CC1 ZINC000055144830 388596291 /nfs/dbraw/zinc/59/62/91/388596291.db2.gz ICVKYXUTGHQPLX-KJHLLKJSSA-N 1 0 203.351 1.804 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(C)(C)O)C12CCC2 ZINC000361033089 388560121 /nfs/dbraw/zinc/56/01/21/388560121.db2.gz SDJJFPCATCBLMA-OUAUKWLOSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000528760053 388568444 /nfs/dbraw/zinc/56/84/44/388568444.db2.gz QSQXGHPSGJMFJH-OHUUWBQVSA-N 1 0 213.321 1.301 10 0 BDAERO CCC(=O)CCC[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000649297261 388575378 /nfs/dbraw/zinc/57/53/78/388575378.db2.gz BSBFUDHRKMBIPC-CYBMUJFWSA-N 1 0 242.363 1.008 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)c2nccn21 ZINC000379069705 388581010 /nfs/dbraw/zinc/58/10/10/388581010.db2.gz YWWGOJXLIGSHOH-RHYQMDGZSA-N 1 0 235.331 1.782 10 0 BDAERO CCOCCN1CC[N@H+](C[C@H](C)OC)C[C@H]1C ZINC000248427980 388680058 /nfs/dbraw/zinc/68/00/58/388680058.db2.gz OXVGYUCPCOLSAL-OLZOCXBDSA-N 1 0 244.379 1.064 10 0 BDAERO [NH3+]Cc1ccncc1OC[C@@H]1CCCO1 ZINC000162462121 388619826 /nfs/dbraw/zinc/61/98/26/388619826.db2.gz UZKISMSEEBCAIL-JTQLQIEISA-N 1 0 208.261 1.098 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC[C@@H]1CCCO1 ZINC000189495909 388634139 /nfs/dbraw/zinc/63/41/39/388634139.db2.gz DJHVMIYVMUCGJZ-KGLIPLIRSA-N 1 0 240.391 1.972 10 0 BDAERO CCC[C@@H](C(=O)N[C@@H](C)[C@H](C)OC)[NH+](C)C ZINC000190362097 388649760 /nfs/dbraw/zinc/64/97/60/388649760.db2.gz CVXWJGZAMUVRJX-DCAQKATOSA-N 1 0 230.352 1.256 10 0 BDAERO C[C@@H]1C[NH+](CCOC(C)(C)C)C[C@@H](C)O1 ZINC000067715300 388737490 /nfs/dbraw/zinc/73/74/90/388737490.db2.gz CEEQKHFZNKVVEO-GHMZBOCLSA-N 1 0 215.337 1.911 10 0 BDAERO CC[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)C(=O)OC ZINC000248760698 388693316 /nfs/dbraw/zinc/69/33/16/388693316.db2.gz QOTBESDVQZGVOH-WOPDTQHZSA-N 1 0 242.363 1.256 10 0 BDAERO CCC[C@H](C)[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000249266999 388714201 /nfs/dbraw/zinc/71/42/01/388714201.db2.gz JFNRSGJUSPALPA-IHRRRGAJSA-N 1 0 240.391 1.828 10 0 BDAERO CC(C)OC(=O)N[C@@H](C)CC[NH+](C)C ZINC000127116201 388714247 /nfs/dbraw/zinc/71/42/47/388714247.db2.gz KCQWYQUCFILUEY-VIFPVBQESA-N 1 0 202.298 1.461 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1CC[C@H]1CCCO1 ZINC000249259358 388714284 /nfs/dbraw/zinc/71/42/84/388714284.db2.gz HTHHUQRPJXBIME-IJLUTSLNSA-N 1 0 213.321 1.665 10 0 BDAERO OC1CC(C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000091424958 388763274 /nfs/dbraw/zinc/76/32/74/388763274.db2.gz NAAPFPLYNZUDOX-XGTXGMFGSA-N 1 0 231.339 1.904 10 0 BDAERO O[C@H](c1scnc1Br)C1C[NH2+]C1 ZINC000575456056 388785061 /nfs/dbraw/zinc/78/50/61/388785061.db2.gz YZVBBVGTFHHZFQ-YFKPBYRVSA-N 1 0 249.133 1.158 10 0 BDAERO [NH3+][C@H]1COC[C@@H]1c1ccc(Cl)s1 ZINC000575471287 388847576 /nfs/dbraw/zinc/84/75/76/388847576.db2.gz QXZWWWXVYOEPIR-WDSKDSINSA-N 1 0 203.694 1.843 10 0 BDAERO C[C@H]1C[N@H+](CC2CSC2)[C@@H](C)CN1 ZINC000575490556 388909867 /nfs/dbraw/zinc/90/98/67/388909867.db2.gz PAJVXIXFHJQKBZ-IUCAKERBSA-N 1 0 200.351 1.032 10 0 BDAERO CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000565533644 388951546 /nfs/dbraw/zinc/95/15/46/388951546.db2.gz GDGRKGJZHOESNI-YNEHKIRRSA-N 1 0 228.380 1.371 10 0 BDAERO [NH3+]C[C@H](F)c1scc2c1OCCO2 ZINC000575501579 388990599 /nfs/dbraw/zinc/99/05/99/388990599.db2.gz BBSNMPWUMJDFAR-YFKPBYRVSA-N 1 0 203.238 1.489 10 0 BDAERO CC1(C)CSC[C@@]2(C[C@@H]([NH3+])CO2)C1 ZINC000575508523 389001957 /nfs/dbraw/zinc/00/19/57/389001957.db2.gz NDEILPBTWWDJBD-PSASIEDQSA-N 1 0 201.335 1.636 10 0 BDAERO c1cc(N2CC[NH2+]CC2)cc2c1CCCC2 ZINC000006276685 132308840 /nfs/dbraw/zinc/30/88/40/132308840.db2.gz SPKKQVTUZGYPLG-UHFFFAOYSA-N 1 0 216.328 1.975 10 0 BDAERO C[C@@H]1CCCN(c2cc(C(N)=[NH2+])ccn2)C1 ZINC000019486611 132325445 /nfs/dbraw/zinc/32/54/45/132325445.db2.gz SZZMKFWLISVPQV-SECBINFHSA-N 1 0 218.304 1.602 10 0 BDAERO CC[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000037090254 132343616 /nfs/dbraw/zinc/34/36/16/132343616.db2.gz JGYKITZORIPQMP-SNVBAGLBSA-N 1 0 206.293 1.055 10 0 BDAERO [NH3+]Cc1cc(Cl)ccc1N1CCC[C@@H](O)C1 ZINC000052856834 132362743 /nfs/dbraw/zinc/36/27/43/132362743.db2.gz LRMQBFFYNIRSJC-LLVKDONJSA-N 1 0 240.734 1.760 10 0 BDAERO Cc1cccnc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000053712659 132363645 /nfs/dbraw/zinc/36/36/45/132363645.db2.gz XGLKWCHEAGRBSJ-PHIMTYICSA-N 1 0 205.305 1.577 10 0 BDAERO C[C@@H](NCc1cccc2c1OCO2)[C@@H]1CC[NH2+]C1 ZINC000400696585 533458126 /nfs/dbraw/zinc/45/81/26/533458126.db2.gz JFZUIVZKIRSKSD-GHMZBOCLSA-N 1 0 248.326 1.503 10 0 BDAERO C[C@@H](NCc1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000400353394 533460368 /nfs/dbraw/zinc/46/03/68/533460368.db2.gz AGGBTMAKVHBFHQ-GHMZBOCLSA-N 1 0 222.307 1.913 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nccc(C)n1 ZINC000267204865 132188759 /nfs/dbraw/zinc/18/87/59/132188759.db2.gz ATPUNAIZOAOWRI-STQMWFEESA-N 1 0 246.358 1.848 10 0 BDAERO c1cncc(N2C[C@H]3C[NH2+]C[C@H](C3)C2)c1 ZINC000000026026 132202445 /nfs/dbraw/zinc/20/24/45/132202445.db2.gz QGPJNUIJAGMDMT-PHIMTYICSA-N 1 0 203.289 1.127 10 0 BDAERO CN1c2ccccc2[C@@H](NCC[NH+](C)C)CC1=O ZINC000037184151 132295537 /nfs/dbraw/zinc/29/55/37/132295537.db2.gz MBMOSFMICRKJAF-LBPRGKRZSA-N 1 0 247.342 1.245 10 0 BDAERO C[C@@H]1CN(c2ccc(N)cc2F)C[C@@H](C)[NH2+]1 ZINC000041701556 132296985 /nfs/dbraw/zinc/29/69/85/132296985.db2.gz FKXNCZPJTRPOGY-RKDXNWHRSA-N 1 0 223.295 1.595 10 0 BDAERO C[C@H]1NC(=[NH2+])NC(=N)N1c1ccc(Cl)cc1 ZINC000002034278 132308624 /nfs/dbraw/zinc/30/86/24/132308624.db2.gz WHWDLTBBQLJYCJ-LURJTMIESA-N 1 0 237.694 1.135 10 0 BDAERO CCOc1ccccc1N1CC[NH2+][C@@H](C)C1 ZINC000016944723 132323244 /nfs/dbraw/zinc/32/32/44/132323244.db2.gz ULKHJFRQANODKV-NSHDSACASA-N 1 0 220.316 1.883 10 0 BDAERO C[C@@H]1CN(c2ncccc2C[NH3+])C[C@@H](C)O1 ZINC000019260979 132324269 /nfs/dbraw/zinc/32/42/69/132324269.db2.gz XAAOPINJNIZSMO-NXEZZACHSA-N 1 0 221.304 1.154 10 0 BDAERO C[C@@H]1C[C@H](C)CN(c2cc(C(N)=[NH2+])ccn2)C1 ZINC000019477376 132325526 /nfs/dbraw/zinc/32/55/26/132325526.db2.gz GUTIOCNTXVOLOM-AOOOYVTPSA-N 1 0 232.331 1.848 10 0 BDAERO Nc1c[nH+]ccc1N1CCCC[C@@H]1CCO ZINC000019763607 132327013 /nfs/dbraw/zinc/32/70/13/132327013.db2.gz KIZSFQGFYITCHF-SNVBAGLBSA-N 1 0 221.304 1.405 10 0 BDAERO Cc1cccc(N2CCN([C@H](C)C[NH3+])CC2)c1C ZINC000019779175 132327354 /nfs/dbraw/zinc/32/73/54/132327354.db2.gz JXQGDHAPEGLDID-CYBMUJFWSA-N 1 0 247.386 1.773 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1CCN(c2ccccc2)CC1 ZINC000020072474 132329428 /nfs/dbraw/zinc/32/94/28/132329428.db2.gz DLDAMYDEQDJFOP-HNNXBMFYSA-N 1 0 247.386 1.792 10 0 BDAERO Cc1cc(C[NH3+])nc(N2CCC(C)CC2)n1 ZINC000020383576 132331380 /nfs/dbraw/zinc/33/13/80/132331380.db2.gz ZPYZHAXQEGSBAZ-UHFFFAOYSA-N 1 0 220.320 1.480 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1c1ccccc1C[NH3+] ZINC000035782465 132339334 /nfs/dbraw/zinc/33/93/34/132339334.db2.gz PISWWLRPXKAVBF-MNOVXSKESA-N 1 0 220.316 1.759 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CCOC[C@H]1C ZINC000035776788 132339368 /nfs/dbraw/zinc/33/93/68/132339368.db2.gz RMMVFYUCGGJQAP-GHMZBOCLSA-N 1 0 220.316 1.931 10 0 BDAERO Cc1cc[nH+]c(N2CCCC[C@H]2CCO)c1N ZINC000036245156 132341396 /nfs/dbraw/zinc/34/13/96/132341396.db2.gz HEELQSNEUQXZDT-NSHDSACASA-N 1 0 235.331 1.714 10 0 BDAERO [NH3+]Cc1ccccc1N1CCC[C@@H](O)C1 ZINC000036795669 132342784 /nfs/dbraw/zinc/34/27/84/132342784.db2.gz XGZKTERUFROMBM-LLVKDONJSA-N 1 0 206.289 1.106 10 0 BDAERO C[C@@H]1CCc2ccccc2N1C[C@H](O)C[NH3+] ZINC000036998740 132343297 /nfs/dbraw/zinc/34/32/97/132343297.db2.gz IXMSZWDXRJFHNP-ZYHUDNBSSA-N 1 0 220.316 1.147 10 0 BDAERO C[C@@H](O)C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037258077 132344191 /nfs/dbraw/zinc/34/41/91/132344191.db2.gz LGIUOUVQCHCHIW-KOLCDFICSA-N 1 0 234.299 1.065 10 0 BDAERO COC1CCN(c2ccccc2C(N)=[NH2+])CC1 ZINC000037266395 132344226 /nfs/dbraw/zinc/34/42/26/132344226.db2.gz DATRUJMRJYTWCD-UHFFFAOYSA-N 1 0 233.315 1.586 10 0 BDAERO C[C@H]1CNc2ccccc2N1CC[NH+](C)C ZINC000041233460 132349755 /nfs/dbraw/zinc/34/97/55/132349755.db2.gz WUILEJOFHFVSSJ-NSHDSACASA-N 1 0 219.332 1.869 10 0 BDAERO OCc1cccnc1N1CC[NH+](CC2CC2)CC1 ZINC000042490975 132352482 /nfs/dbraw/zinc/35/24/82/132352482.db2.gz DOOAPZYHMIWFNS-UHFFFAOYSA-N 1 0 247.342 1.106 10 0 BDAERO CCOc1ccc(F)cc1N1CC[NH2+]CC1 ZINC000043461474 132353192 /nfs/dbraw/zinc/35/31/92/132353192.db2.gz WVDDWWNKHLCZJO-UHFFFAOYSA-N 1 0 224.279 1.634 10 0 BDAERO COc1ccc(F)cc1N1CCC[C@H]([NH3+])C1 ZINC000043471517 132353297 /nfs/dbraw/zinc/35/32/97/132353297.db2.gz QKPACHPVNNDERK-JTQLQIEISA-N 1 0 224.279 1.762 10 0 BDAERO O=C1COc2ccccc2N1C[C@@H]1CCC[NH2+]1 ZINC000043495827 132353449 /nfs/dbraw/zinc/35/34/49/132353449.db2.gz LQQLTVGFYTXXHN-JTQLQIEISA-N 1 0 232.283 1.164 10 0 BDAERO Cc1ccnc(N2CCC(C[NH3+])CC2)c1 ZINC000044514904 132354282 /nfs/dbraw/zinc/35/42/82/132354282.db2.gz HVEFEZJOKHADQY-UHFFFAOYSA-N 1 0 205.305 1.565 10 0 BDAERO COCc1ccccc1N1CC[NH2+]CC1 ZINC000049508997 132356074 /nfs/dbraw/zinc/35/60/74/132356074.db2.gz XMKBQQFIXSDLGM-UHFFFAOYSA-N 1 0 206.289 1.243 10 0 BDAERO CC1(C)CN(c2cccc(C[NH3+])n2)CCO1 ZINC000051397061 132360396 /nfs/dbraw/zinc/36/03/96/132360396.db2.gz UROXEGHXXMYRHK-UHFFFAOYSA-N 1 0 221.304 1.156 10 0 BDAERO [NH3+]Cc1cc(N2CCO[C@@H]3CCC[C@@H]32)ccn1 ZINC000051397583 132360398 /nfs/dbraw/zinc/36/03/98/132360398.db2.gz UNSILLKUBCPZIS-QWHCGFSZSA-N 1 0 233.315 1.298 10 0 BDAERO CC(C)[NH2+]Cc1cccc(N2CCO[C@H](C)C2)n1 ZINC000051400100 132360687 /nfs/dbraw/zinc/36/06/87/132360687.db2.gz QVEZEQSFOOTLOR-GFCCVEGCSA-N 1 0 249.358 1.805 10 0 BDAERO c1cnc(N2CCOCC2)c(C[NH2+]C2CC2)c1 ZINC000051399173 132360734 /nfs/dbraw/zinc/36/07/34/132360734.db2.gz HSUDONUUHKGHBN-UHFFFAOYSA-N 1 0 233.315 1.170 10 0 BDAERO CC(C)[NH2+]Cc1ccnc(N2CCO[C@@H](C)C2)c1 ZINC000051400147 132361067 /nfs/dbraw/zinc/36/10/67/132361067.db2.gz ZVYLHBXBFGFEMT-LBPRGKRZSA-N 1 0 249.358 1.805 10 0 BDAERO C[NH2+]Cc1cccc(N2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000051485511 132361371 /nfs/dbraw/zinc/36/13/71/132361371.db2.gz UAJXNTITSWEVLT-QWHCGFSZSA-N 1 0 247.342 1.559 10 0 BDAERO Cc1ccc(C(N)=O)c(N2CCCC[C@@H]2C[NH3+])c1 ZINC000051581386 132361535 /nfs/dbraw/zinc/36/15/35/132361535.db2.gz AYJALKWKSQQCKN-LLVKDONJSA-N 1 0 247.342 1.412 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccccn1 ZINC000053704254 132363159 /nfs/dbraw/zinc/36/31/59/132363159.db2.gz UATXMXIETOYYOF-GHMZBOCLSA-N 1 0 205.305 1.645 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1cccnn1 ZINC000053704662 132363224 /nfs/dbraw/zinc/36/32/24/132363224.db2.gz UOPIVEYITZSYSM-NXEZZACHSA-N 1 0 206.293 1.040 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ccc(F)cn1 ZINC000053706839 132363308 /nfs/dbraw/zinc/36/33/08/132363308.db2.gz MOLYXPJWQGDYMB-LLVKDONJSA-N 1 0 223.295 1.799 10 0 BDAERO [NH3+][C@H]1CCCN(c2ccc(F)c(F)c2)C1 ZINC000055236510 132365253 /nfs/dbraw/zinc/36/52/53/132365253.db2.gz RSHXFYUSLAUREU-QMMMGPOBSA-N 1 0 212.243 1.892 10 0 BDAERO [NH3+][C@@H]1CCCN(c2ccc(F)c(F)c2)C1 ZINC000055236512 132365310 /nfs/dbraw/zinc/36/53/10/132365310.db2.gz RSHXFYUSLAUREU-MRVPVSSYSA-N 1 0 212.243 1.892 10 0 BDAERO COc1ccc(OC)c(N2CCC[C@H]([NH3+])C2)c1 ZINC000055234219 132365373 /nfs/dbraw/zinc/36/53/73/132365373.db2.gz NGGPAKFGXJBRND-JTQLQIEISA-N 1 0 236.315 1.631 10 0 BDAERO [NH3+][C@H]1CCCN(c2cc(F)ccc2F)C1 ZINC000055242310 132365465 /nfs/dbraw/zinc/36/54/65/132365465.db2.gz XXGARYHSJAHRHJ-VIFPVBQESA-N 1 0 212.243 1.892 10 0 BDAERO COc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])ncn1 ZINC000234904078 132366779 /nfs/dbraw/zinc/36/67/79/132366779.db2.gz FQSWBHDEVQLSKG-NXEZZACHSA-N 1 0 236.319 1.049 10 0 BDAERO COc1cccc2c1ccnc2N1CC[NH2+]CC1 ZINC000059854899 132368823 /nfs/dbraw/zinc/36/88/23/132368823.db2.gz FCLMQEQUTQLSSO-UHFFFAOYSA-N 1 0 243.310 1.653 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(N(C)C)cc1 ZINC000071537773 132393659 /nfs/dbraw/zinc/39/36/59/132393659.db2.gz JYACNAKXUKLVEY-NWDGAFQWSA-N 1 0 233.359 1.939 10 0 BDAERO CC[C@@H]1CN(c2cnccc2C)[C@H](C)C[NH2+]1 ZINC000083102531 132419907 /nfs/dbraw/zinc/41/99/07/132419907.db2.gz LVLOYRBDWPMMBE-VXGBXAGGSA-N 1 0 219.332 1.967 10 0 BDAERO Cc1cc(N2CCCC[C@@H]2C[NH3+])nc(Cl)n1 ZINC000095068829 132428774 /nfs/dbraw/zinc/42/87/74/132428774.db2.gz RWWRJLQBIWJYFA-SECBINFHSA-N 1 0 240.738 1.756 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1cc(Cl)ncn1 ZINC000095072420 132429498 /nfs/dbraw/zinc/42/94/98/132429498.db2.gz LHXZONAXTHRVLA-QMMMGPOBSA-N 1 0 226.711 1.448 10 0 BDAERO C[NH2+][C@@H](C)C1CCN(c2nccc(C)n2)CC1 ZINC000104428220 132436024 /nfs/dbraw/zinc/43/60/24/132436024.db2.gz XFGVSPIKQVSTLX-NSHDSACASA-N 1 0 234.347 1.609 10 0 BDAERO Cc1ccnc(Cl)c1N1CC[NH2+]CC1 ZINC000083346802 132452310 /nfs/dbraw/zinc/45/23/10/132452310.db2.gz ZTYBLHFOHBPBKK-UHFFFAOYSA-N 1 0 211.696 1.453 10 0 BDAERO CC[C@H]1C[N@H+](CC2(O)CCC2)C[C@H](C)O1 ZINC000336136553 134095793 /nfs/dbraw/zinc/09/57/93/134095793.db2.gz RLLWHLMRTJYYSR-QWRGUYRKSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000336216076 134136547 /nfs/dbraw/zinc/13/65/47/134136547.db2.gz AMTWTUVBZFJRNW-HZMBPMFUSA-N 1 0 245.326 1.908 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)no1 ZINC000085009045 134220731 /nfs/dbraw/zinc/22/07/31/134220731.db2.gz NNVLLBZHNMMFLX-HTQZYQBOSA-N 1 0 209.249 1.049 10 0 BDAERO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[Si](C)(C)C ZINC000172022080 134264530 /nfs/dbraw/zinc/26/45/30/134264530.db2.gz OVHSPMRWZBSOGZ-UWVGGRQHSA-N 1 0 245.395 1.126 10 0 BDAERO C[C@H](CC(=O)N(C)C1C[NH2+]C1)C(C)(C)C ZINC000085257620 134269184 /nfs/dbraw/zinc/26/91/84/134269184.db2.gz HIDAPPBAHRDRSZ-SECBINFHSA-N 1 0 212.337 1.489 10 0 BDAERO Cc1ccsc1C(=O)N(C)C1C[NH2+]C1 ZINC000085257725 134269627 /nfs/dbraw/zinc/26/96/27/134269627.db2.gz CWQCJCQAVYAQMC-UHFFFAOYSA-N 1 0 210.302 1.100 10 0 BDAERO c1cc(CN2CCC[N@@H+](C3CC3)CC2)ccn1 ZINC000172979977 134271575 /nfs/dbraw/zinc/27/15/75/134271575.db2.gz ZTZPVRYRYWIKLT-UHFFFAOYSA-N 1 0 231.343 1.752 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC1 ZINC000175043977 134284263 /nfs/dbraw/zinc/28/42/63/134284263.db2.gz FOYWEWBHLFYCBV-VXGBXAGGSA-N 1 0 222.332 1.482 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)COC ZINC000177003531 134295533 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242.363 1.389 10 0 BDAERO O=C(Nc1ccnc2ccncc21)[C@H]1CCC[NH2+]1 ZINC000261715809 135247863 /nfs/dbraw/zinc/24/78/63/135247863.db2.gz MXOYUTUJAFVPMW-GFCCVEGCSA-N 1 0 242.282 1.320 10 0 BDAERO Cc1c[nH]cc1C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261732803 135248590 /nfs/dbraw/zinc/24/85/90/135248590.db2.gz HVXYUUYGRFGXEG-MWLCHTKSSA-N 1 0 235.331 1.523 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)[C@@H](C[NH3+])C1 ZINC000261799783 135254748 /nfs/dbraw/zinc/25/47/48/135254748.db2.gz MNEGRLSRACZHHJ-FOUMNBMASA-N 1 0 236.359 1.618 10 0 BDAERO CSCCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261917855 135262892 /nfs/dbraw/zinc/26/28/92/135262892.db2.gz UQLYWIIKHLACSB-SNVBAGLBSA-N 1 0 244.404 1.715 10 0 BDAERO C[C@@H](C(=O)N([C@H](C)C1CC1)C1CC1)C1C[NH2+]C1 ZINC000262029218 135273599 /nfs/dbraw/zinc/27/35/99/135273599.db2.gz DTNSXIQWVGJQNY-NXEZZACHSA-N 1 0 236.359 1.631 10 0 BDAERO Cc1ccc(N(C)C(=O)C2C[NH2+]C2)cc1Cl ZINC000262201794 135289828 /nfs/dbraw/zinc/28/98/28/135289828.db2.gz 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HHFSPCKSTNPEOQ-JTQLQIEISA-N 1 0 201.335 1.604 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@H](CO)O1 ZINC000299959866 135383020 /nfs/dbraw/zinc/38/30/20/135383020.db2.gz ITFBDSJLXHJCDP-MRVWCRGKSA-N 1 0 247.338 1.408 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000299999402 135384308 /nfs/dbraw/zinc/38/43/08/135384308.db2.gz ZQYBPXUVSBCABA-CYZMBNFOSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CC2CCOCC2)C1 ZINC000334748245 135403407 /nfs/dbraw/zinc/40/34/07/135403407.db2.gz XQFYGRRNJCDCIQ-JQWIXIFHSA-N 1 0 213.321 1.116 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1nccc(C(F)(F)F)n1 ZINC000081587182 135428544 /nfs/dbraw/zinc/42/85/44/135428544.db2.gz YUUJEJGNCWMJLF-SSDOTTSWSA-N 1 0 248.252 1.891 10 0 BDAERO Cn1nccc1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000082247984 135431220 /nfs/dbraw/zinc/43/12/20/135431220.db2.gz QCTCIBRGRFEIST-NSHDSACASA-N 1 0 230.271 1.059 10 0 BDAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000309662790 135440683 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398060848 /nfs/dbraw/zinc/06/08/48/398060848.db2.gz KPNLNKRBDUPEJG-AXFHLTTASA-N 1 0 228.336 1.058 10 0 BDAERO CSCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186552881 398068563 /nfs/dbraw/zinc/06/85/63/398068563.db2.gz FJSVHUSNKUXKLL-SECBINFHSA-N 1 0 228.361 1.092 10 0 BDAERO C[C@@H](Cc1ccccc1)n1cc(C[NH3+])nn1 ZINC000409423489 398085348 /nfs/dbraw/zinc/08/53/48/398085348.db2.gz OTCFTIYDLRRUSH-JTQLQIEISA-N 1 0 216.288 1.541 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccnn1C ZINC000235214803 398090705 /nfs/dbraw/zinc/09/07/05/398090705.db2.gz RUAXGAXHUNONIE-OPRDCNLKSA-N 1 0 209.293 1.248 10 0 BDAERO Cc1ccc2oc(NCCC[NH3+])nc2c1 ZINC000107197172 322862071 /nfs/dbraw/zinc/86/20/71/322862071.db2.gz USUCAWOMOMQRDT-UHFFFAOYSA-N 1 0 205.261 1.897 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[NH2+]1)c1cc(F)ccc1F ZINC000384754937 398105081 /nfs/dbraw/zinc/10/50/81/398105081.db2.gz DOLDRXCBXVOGSM-WRWORJQWSA-N 1 0 240.253 1.504 10 0 BDAERO [NH3+][C@@H]1CCN(C(=O)c2sccc2F)C1 ZINC000306155137 398112124 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/nfs/dbraw/zinc/33/81/84/174338184.db2.gz ITFFUQRYPISNKO-SECBINFHSA-N 1 0 212.318 1.830 10 0 BDAERO CC(C)[NH2+]C[C@H]1CNc2ccccc2O1 ZINC000040407427 167114425 /nfs/dbraw/zinc/11/44/25/167114425.db2.gz AMIRWKHEBFFSEE-JTQLQIEISA-N 1 0 206.289 1.858 10 0 BDAERO CC(C)Nc1nc(Cl)nc(-n2ccnc2)n1 ZINC000061535936 167149687 /nfs/dbraw/zinc/14/96/87/167149687.db2.gz OQSJXAYWBVGODH-UHFFFAOYSA-N 1 0 238.682 1.531 10 0 BDAERO C[C@@H]1CN(c2ncnc3c2CCCC3)[C@H](C)C[NH2+]1 ZINC000094872551 487561957 /nfs/dbraw/zinc/56/19/57/487561957.db2.gz CEYJMUQVVBIVTR-GHMZBOCLSA-N 1 0 246.358 1.542 10 0 BDAERO CC[C@H](NC(=O)C1([NH3+])CCOCC1)C(C)C ZINC000149703624 487564321 /nfs/dbraw/zinc/56/43/21/487564321.db2.gz OUIUIRRFBKYTDR-JTQLQIEISA-N 1 0 228.336 1.045 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324251892 487564417 /nfs/dbraw/zinc/56/44/17/487564417.db2.gz DTJINNJWJJOECS-NEPJUHHUSA-N 1 0 247.379 1.161 10 0 BDAERO CCCCN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000128862813 487565227 /nfs/dbraw/zinc/56/52/27/487565227.db2.gz WTMFXQCILSTTHG-JTQLQIEISA-N 1 0 200.326 1.618 10 0 BDAERO C[C@H]1OCC[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000149743152 487570871 /nfs/dbraw/zinc/57/08/71/487570871.db2.gz HIAOGLDCFLJMOK-MFKMUULPSA-N 1 0 248.326 1.095 10 0 BDAERO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000227965107 487574481 /nfs/dbraw/zinc/57/44/81/487574481.db2.gz JTNNERYLJMTSMX-VXGBXAGGSA-N 1 0 229.364 1.678 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000086877686 487576178 /nfs/dbraw/zinc/57/61/78/487576178.db2.gz BYZMWDPRCBHKED-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@@]1(C)C[NH3+] ZINC000393839983 487585175 /nfs/dbraw/zinc/58/51/75/487585175.db2.gz RXOKESYLDKQSLO-YGEZULPYSA-N 1 0 236.359 1.476 10 0 BDAERO CC(=O)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000086930470 487588876 /nfs/dbraw/zinc/58/88/76/487588876.db2.gz HZFUBBKKQCFBQD-CMPLNLGQSA-N 1 0 210.321 1.134 10 0 BDAERO CC(C)Oc1ccc(CCOCC[NH3+])cc1 ZINC000057952742 167292368 /nfs/dbraw/zinc/29/23/68/167292368.db2.gz QFFFYQOFRCRSDK-UHFFFAOYSA-N 1 0 223.316 1.992 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]12 ZINC000310907983 487597141 /nfs/dbraw/zinc/59/71/41/487597141.db2.gz CGPOBTJLIMBBMX-RAIGVLPGSA-N 1 0 245.326 1.888 10 0 BDAERO CC(C)Oc1cncc(C[NH3+])c1OC1CC1 ZINC000095738152 167311918 /nfs/dbraw/zinc/31/19/18/167311918.db2.gz MBKJUGPSSCFLOL-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)S(=O)(=O)Nc1ccccc1C[NH3+] ZINC000037657161 167319463 /nfs/dbraw/zinc/31/94/63/167319463.db2.gz WEFXGWSCXIRNBQ-UHFFFAOYSA-N 1 0 228.317 1.295 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC[C@H]1O ZINC000309769707 487609380 /nfs/dbraw/zinc/60/93/80/487609380.db2.gz OINDMWPHHYGJQS-FDYHWXHSSA-N 1 0 227.348 1.240 10 0 BDAERO CC(F)(F)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662897123 409970119 /nfs/dbraw/zinc/97/01/19/409970119.db2.gz DAAJEHCIAGZTBH-MRVPVSSYSA-N 1 0 220.263 1.290 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCCSCC2)C1 ZINC000308925272 409936406 /nfs/dbraw/zinc/93/64/06/409936406.db2.gz PYGDTRDJVDARCZ-VXGBXAGGSA-N 1 0 229.389 1.976 10 0 BDAERO O[C@H]1CCC[C@@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000660902962 409948760 /nfs/dbraw/zinc/94/87/60/409948760.db2.gz TWIJQRLUKZRLSE-MQYQWHSLSA-N 1 0 239.359 1.648 10 0 BDAERO Cc1cccc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000227201560 487612573 /nfs/dbraw/zinc/61/25/73/487612573.db2.gz GJVSWMYSRXNVLH-CMPLNLGQSA-N 1 0 219.332 1.954 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(O)(CC)CC1 ZINC000653174556 410150540 /nfs/dbraw/zinc/15/05/40/410150540.db2.gz WVJKPUROEAACDB-WDEREUQCSA-N 1 0 242.363 1.123 10 0 BDAERO COc1ccnc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663276330 410092224 /nfs/dbraw/zinc/09/22/24/410092224.db2.gz RTIUESMXRYYRDK-SECBINFHSA-N 1 0 224.308 1.271 10 0 BDAERO Brc1ccc([C@H]2CC[NH2+]C2)cn1 ZINC000044121887 166100129 /nfs/dbraw/zinc/10/01/29/166100129.db2.gz NJFBSJOFMGBIPV-QMMMGPOBSA-N 1 0 227.105 1.921 10 0 BDAERO CC[C@@H](NC(=O)CC[NH2+]C(C)C)C(C)C ZINC000042593039 410158206 /nfs/dbraw/zinc/15/82/06/410158206.db2.gz RTSAIUJUMCEIPB-LLVKDONJSA-N 1 0 214.353 1.925 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000309044084 410208253 /nfs/dbraw/zinc/20/82/53/410208253.db2.gz NDXRXRWWLFDCAT-NZEXEKPDSA-N 1 0 210.365 1.961 10 0 BDAERO Brc1c[nH+]cc2c1NCCN2 ZINC000066309453 166106351 /nfs/dbraw/zinc/10/63/51/166106351.db2.gz UBVPCLXUXRSOKZ-UHFFFAOYSA-N 1 0 214.066 1.682 10 0 BDAERO CC[C@H]1CN(c2cc(C)ccn2)CC[C@@H]1[NH3+] ZINC000122948734 410296081 /nfs/dbraw/zinc/29/60/81/410296081.db2.gz XVWWOVJPHFZZJC-RYUDHWBXSA-N 1 0 219.332 1.954 10 0 BDAERO Cc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)nc1 ZINC000128881667 410364808 /nfs/dbraw/zinc/36/48/08/410364808.db2.gz NKYFUAGTFDIQSQ-JTQLQIEISA-N 1 0 221.304 1.702 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CN(c2nc3ccccc3o2)CCO1 ZINC000132959855 410433990 /nfs/dbraw/zinc/43/39/90/410433990.db2.gz MRBVCGZVALDFHS-SKDRFNHKSA-N 1 0 247.298 1.380 10 0 BDAERO CCN(CC)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000039215885 169753035 /nfs/dbraw/zinc/75/30/35/169753035.db2.gz OXUVPBBPTFXXEN-SNVBAGLBSA-N 1 0 213.325 1.084 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCc1ccco1 ZINC000309238975 410538542 /nfs/dbraw/zinc/53/85/42/410538542.db2.gz WBUXZVAYYZFFMK-MWLCHTKSSA-N 1 0 222.288 1.160 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000308790760 410746025 /nfs/dbraw/zinc/74/60/25/410746025.db2.gz IETWSZOTACSHDZ-WDEREUQCSA-N 1 0 215.337 1.552 10 0 BDAERO CCC[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000393503186 410724075 /nfs/dbraw/zinc/72/40/75/410724075.db2.gz VXWWSAOEHIUTDW-STQMWFEESA-N 1 0 226.364 1.582 10 0 BDAERO CC[C@@H](CC(F)F)C[N@@H+]1CCOC[C@@H]1CO ZINC000661562383 410838322 /nfs/dbraw/zinc/83/83/22/410838322.db2.gz RAWXKPFGBPFZOR-UWVGGRQHSA-N 1 0 237.290 1.361 10 0 BDAERO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)COC ZINC000395705783 410861336 /nfs/dbraw/zinc/86/13/36/410861336.db2.gz HLXUUIXDQDRDBN-VHSXEESVSA-N 1 0 230.352 1.162 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC(OCC)CC1 ZINC000040690027 410886262 /nfs/dbraw/zinc/88/62/62/410886262.db2.gz YJVYPYYINDWXTO-NSHDSACASA-N 1 0 228.336 1.141 10 0 BDAERO CC(C)C[NH2+]CCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573077 167004733 /nfs/dbraw/zinc/00/47/33/167004733.db2.gz SCEGZOYUGOYONQ-UONOGXRCSA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)C[NH2+]C[C@H]1C[C@@H]1c1cnn(C)c1 ZINC000054597852 167008223 /nfs/dbraw/zinc/00/82/23/167008223.db2.gz UJBGUXZUWLXRAH-PWSUYJOCSA-N 1 0 207.321 1.769 10 0 BDAERO CC(C)C[NH2+]Cc1nnnn1-c1ccccc1F ZINC000054744924 167009324 /nfs/dbraw/zinc/00/93/24/167009324.db2.gz DMKXBOKJENANAI-UHFFFAOYSA-N 1 0 249.293 1.547 10 0 BDAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCC[C@@H](C)C1 ZINC000037946107 167014225 /nfs/dbraw/zinc/01/42/25/167014225.db2.gz XJHRORSQWCYRIO-PWSUYJOCSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)NC(=O)CC[NH2+]C1(C(C)C)CC1 ZINC000339507417 167044042 /nfs/dbraw/zinc/04/40/42/167044042.db2.gz BWHROHXEVVUVOY-UHFFFAOYSA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)NC(=O)[C@H](CCC[NH3+])c1cccnc1 ZINC000076618249 167084558 /nfs/dbraw/zinc/08/45/58/167084558.db2.gz NPYZTWLSBHQZSJ-GFCCVEGCSA-N 1 0 235.331 1.429 10 0 BDAERO CC(C)[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000037386085 167097363 /nfs/dbraw/zinc/09/73/63/167097363.db2.gz QTXVSMRXGOKFMY-UHFFFAOYSA-N 1 0 228.242 1.901 10 0 BDAERO CC(C)[NH2+]CC(=O)Nc1cccc2n[nH]cc21 ZINC000037769593 167097858 /nfs/dbraw/zinc/09/78/58/167097858.db2.gz HTSRVZKKQBOAOR-UHFFFAOYSA-N 1 0 232.287 1.499 10 0 BDAERO CC(C)[NH2+]CCc1nnc([C@H]2CCCOC2)o1 ZINC000062243976 167108657 /nfs/dbraw/zinc/10/86/57/167108657.db2.gz GGSLHRMEYJKEOC-JTQLQIEISA-N 1 0 239.319 1.504 10 0 BDAERO CC(C)[NH2+]C[C@@H](C)N(C)CCc1ccncc1 ZINC000052483032 167110804 /nfs/dbraw/zinc/11/08/04/167110804.db2.gz WXFKRTYHSBACRI-CYBMUJFWSA-N 1 0 235.375 1.942 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCCN1c1nccn1C ZINC000053699466 167111029 /nfs/dbraw/zinc/11/10/29/167111029.db2.gz NRMGTTQDNTVAFT-LBPRGKRZSA-N 1 0 236.363 1.777 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN1C(F)(F)F ZINC000095088487 167111854 /nfs/dbraw/zinc/11/18/54/167111854.db2.gz YPKLURBNFWHMFN-QMMMGPOBSA-N 1 0 210.243 1.969 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N(C)CCc1ccncc1 ZINC000052483033 167112722 /nfs/dbraw/zinc/11/27/22/167112722.db2.gz WXFKRTYHSBACRI-ZDUSSCGKSA-N 1 0 235.375 1.942 10 0 BDAERO CC(C)[NH2+]Cc1cnn([C@H]2CCC[C@@H]2O)c1 ZINC000054599528 167122085 /nfs/dbraw/zinc/12/20/85/167122085.db2.gz MPRQQTSSFZBIOR-RYUDHWBXSA-N 1 0 223.320 1.467 10 0 BDAERO CC(C)[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944786 167123598 /nfs/dbraw/zinc/12/35/98/167123598.db2.gz ABHFRDZBFNLMQD-UHFFFAOYSA-N 1 0 230.315 1.980 10 0 BDAERO CC(C)[NH2+]Cc1nnc(-c2cscn2)o1 ZINC000062362102 167123930 /nfs/dbraw/zinc/12/39/30/167123930.db2.gz VJBILYCSUKBEBJ-UHFFFAOYSA-N 1 0 224.289 1.691 10 0 BDAERO CC(C)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000020312211 167129513 /nfs/dbraw/zinc/12/95/13/167129513.db2.gz XEHLOTQHXOHLSD-NSHDSACASA-N 1 0 212.337 1.776 10 0 BDAERO CC(C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000125669521 167132111 /nfs/dbraw/zinc/13/21/11/167132111.db2.gz JTULLZZBSVFTGZ-VIFPVBQESA-N 1 0 208.309 1.673 10 0 BDAERO CC(C)[NH2+][C@@]1(CO)CCc2ccccc2C1 ZINC000038115866 167136600 /nfs/dbraw/zinc/13/66/00/167136600.db2.gz SDLUTXZMOCPQGS-AWEZNQCLSA-N 1 0 219.328 1.904 10 0 BDAERO CC(C)[NH2+][C@H]1CCO[C@H](c2cncn2C)C1 ZINC000336678966 167140611 /nfs/dbraw/zinc/14/06/11/167140611.db2.gz QRYPZPSSFYDRGV-JQWIXIFHSA-N 1 0 223.320 1.638 10 0 BDAERO CC(C)OCCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113518382 167218128 /nfs/dbraw/zinc/21/81/28/167218128.db2.gz UGYUCQLKLSWGSV-UONOGXRCSA-N 1 0 240.391 1.970 10 0 BDAERO CC(C)OCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000161299646 167236404 /nfs/dbraw/zinc/23/64/04/167236404.db2.gz PBLZQRHLBJQNCU-VXGBXAGGSA-N 1 0 242.363 1.435 10 0 BDAERO CC(C)OCCOCC1CC[NH2+]CC1 ZINC000019432364 167245933 /nfs/dbraw/zinc/24/59/33/167245933.db2.gz OJHHRDQAQFOTDC-UHFFFAOYSA-N 1 0 201.310 1.428 10 0 BDAERO CC(C)Oc1ccc(COCC[NH3+])cc1 ZINC000077303358 167295069 /nfs/dbraw/zinc/29/50/69/167295069.db2.gz WPTIYZHCCJGNIE-UHFFFAOYSA-N 1 0 209.289 1.949 10 0 BDAERO CC(C)Oc1ccc([C@@](C)([NH3+])CO)cc1 ZINC000038124506 167301400 /nfs/dbraw/zinc/30/14/00/167301400.db2.gz AQSLYTQDHXEIQV-LBPRGKRZSA-N 1 0 209.289 1.640 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000042166166 167364025 /nfs/dbraw/zinc/36/40/25/167364025.db2.gz JLARGBPXLGDCOC-GHMZBOCLSA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)[C@@H](C)[NH2+]CC(=O)N1CCCCC1 ZINC000020309686 167381147 /nfs/dbraw/zinc/38/11/47/167381147.db2.gz DFDMVWOPFHGONQ-LLVKDONJSA-N 1 0 212.337 1.633 10 0 BDAERO C[C@H](Cc1ccccn1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000655497763 410965050 /nfs/dbraw/zinc/96/50/50/410965050.db2.gz VQOJFCUKNMURAA-NEPJUHHUSA-N 1 0 247.342 1.128 10 0 BDAERO CC[C@H](O)CCCNC(=O)C1CCC([NH3+])CC1 ZINC000398466542 410966474 /nfs/dbraw/zinc/96/64/74/410966474.db2.gz MODBBCSOEPLQMM-MCIGGMRASA-N 1 0 242.363 1.171 10 0 BDAERO CC[C@H]([NH2+]C1CCN(CCO)CC1)C1CCC1 ZINC000398959820 411000570 /nfs/dbraw/zinc/00/05/70/411000570.db2.gz LLWLLDVWEUMTOB-AWEZNQCLSA-N 1 0 240.391 1.611 10 0 BDAERO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCCF ZINC000309529936 167513337 /nfs/dbraw/zinc/51/33/37/167513337.db2.gz VTHAOKVAZQDYJF-NXEZZACHSA-N 1 0 216.300 1.096 10 0 BDAERO CC(C)Oc1cncc(N2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000300047462 411077876 /nfs/dbraw/zinc/07/78/76/411077876.db2.gz DVZTWZRCWFLJDP-VHSXEESVSA-N 1 0 236.319 1.047 10 0 BDAERO CC(C)c1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000091415185 167597173 /nfs/dbraw/zinc/59/71/73/167597173.db2.gz VNJYYHZUKGDLQH-UHFFFAOYSA-N 1 0 232.327 1.646 10 0 BDAERO COc1cccnc1N[C@H]1CCC[NH2+]C1 ZINC000107203743 411132773 /nfs/dbraw/zinc/13/27/73/411132773.db2.gz GABFVIUMLHUTAI-VIFPVBQESA-N 1 0 207.277 1.254 10 0 BDAERO C[C@H](C[NH3+])Nc1nc2cccc(F)c2o1 ZINC000107207831 411132853 /nfs/dbraw/zinc/13/28/53/411132853.db2.gz MEHUXYAMCROQRS-ZCFIWIBFSA-N 1 0 209.224 1.726 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000309511253 411157669 /nfs/dbraw/zinc/15/76/69/411157669.db2.gz PLEARKNZWQMGHX-DJRKXVOMSA-N 1 0 210.321 1.147 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000309519200 411159956 /nfs/dbraw/zinc/15/99/56/411159956.db2.gz SURCSFCRAYYDQF-QONHTCSSSA-N 1 0 210.321 1.289 10 0 BDAERO Clc1cccnc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052618045 411102126 /nfs/dbraw/zinc/10/21/26/411102126.db2.gz YHMHUTGUMYXNHK-DTORHVGOSA-N 1 0 223.707 1.676 10 0 BDAERO CC[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)C(C)C ZINC000309544502 411169278 /nfs/dbraw/zinc/16/92/78/411169278.db2.gz ZFVUHGZNDFQRQM-NXEZZACHSA-N 1 0 212.337 1.535 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000657944387 411177044 /nfs/dbraw/zinc/17/70/44/411177044.db2.gz AAJQEDHOXUOLFG-STQMWFEESA-N 1 0 238.375 1.629 10 0 BDAERO OCCN1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000657944069 411177115 /nfs/dbraw/zinc/17/71/15/411177115.db2.gz YDCQFGRQCGRQJM-ZDUSSCGKSA-N 1 0 238.375 1.365 10 0 BDAERO Cc1noc2ncnc(N[C@@H](C[NH3+])CC(C)C)c12 ZINC000111830410 411182012 /nfs/dbraw/zinc/18/20/12/411182012.db2.gz CMDVTCSYSBZINI-SECBINFHSA-N 1 0 249.318 1.712 10 0 BDAERO Cc1nccnc1[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658353384 411243880 /nfs/dbraw/zinc/24/38/80/411243880.db2.gz MXRNDXYPCMPVMR-KPPDAEKUSA-N 1 0 221.304 1.207 10 0 BDAERO OC1(C[N@@H+]2CCC[C@H](OC3CCC3)C2)CCC1 ZINC000653811306 411188604 /nfs/dbraw/zinc/18/86/04/411188604.db2.gz DEALPOXHFGTMOJ-ZDUSSCGKSA-N 1 0 239.359 1.935 10 0 BDAERO CC(C)(O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812270 411190233 /nfs/dbraw/zinc/19/02/33/411190233.db2.gz HBHNLOZXMLOKHO-GFCCVEGCSA-N 1 0 227.348 1.791 10 0 BDAERO Cc1cccc(CC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000061883828 411194162 /nfs/dbraw/zinc/19/41/62/411194162.db2.gz JNWMIXQDMXYGCP-KGLIPLIRSA-N 1 0 246.354 1.781 10 0 BDAERO CC(C)OCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128990135 411195439 /nfs/dbraw/zinc/19/54/39/411195439.db2.gz IXEXWUWULFXRSI-LLVKDONJSA-N 1 0 230.352 1.291 10 0 BDAERO CC[C@H](C)[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000129003936 411197117 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411491056 /nfs/dbraw/zinc/49/10/56/411491056.db2.gz MUUDWIJFUXZKNS-ZWNOBZJWSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657422332 411502674 /nfs/dbraw/zinc/50/26/74/411502674.db2.gz WDLONJOKVIJASD-KOLCDFICSA-N 1 0 221.304 1.096 10 0 BDAERO O[C@@H]1CCC[C@@H](C[NH+]2CCSCC2)C1 ZINC000306211119 411508768 /nfs/dbraw/zinc/50/87/68/411508768.db2.gz PPOPAICECNFANY-GHMZBOCLSA-N 1 0 215.362 1.586 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cocn1 ZINC000191942028 169978479 /nfs/dbraw/zinc/97/84/79/169978479.db2.gz SRHJBCMGBHEAMJ-LBPRGKRZSA-N 1 0 223.320 1.591 10 0 BDAERO CCOC[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000659982460 411518028 /nfs/dbraw/zinc/51/80/28/411518028.db2.gz NMWAVZVHEBFHJF-MJBXVCDLSA-N 1 0 241.375 1.896 10 0 BDAERO CCN1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000056894785 170000632 /nfs/dbraw/zinc/00/06/32/170000632.db2.gz AZLZNHHURYNMMC-LBPRGKRZSA-N 1 0 208.280 1.792 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2ccccc2C)C1 ZINC000056894858 170000862 /nfs/dbraw/zinc/00/08/62/170000862.db2.gz WJGQXEDWHZUMFG-CYBMUJFWSA-N 1 0 204.317 1.961 10 0 BDAERO Cc1nc(C[NH2+][C@@H]2CCC[C@H](O)C2)[nH]c1C ZINC000657327614 411466408 /nfs/dbraw/zinc/46/64/08/411466408.db2.gz WXVAGNKJYLTQEW-MNOVXSKESA-N 1 0 223.320 1.420 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2O)C1 ZINC000334580023 170013024 /nfs/dbraw/zinc/01/30/24/170013024.db2.gz RSZOANYTCRPCKC-LLVKDONJSA-N 1 0 248.326 1.525 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2O)C1 ZINC000334577649 170013271 /nfs/dbraw/zinc/01/32/71/170013271.db2.gz DZCTZXJAKUFFSS-LLVKDONJSA-N 1 0 248.326 1.525 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2cnccn2)C1 ZINC000037484447 170017320 /nfs/dbraw/zinc/01/73/20/170017320.db2.gz GZKAEFDKJDMCQI-SNVBAGLBSA-N 1 0 206.293 1.230 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000336781208 170029205 /nfs/dbraw/zinc/02/92/05/170029205.db2.gz UBWADSKARBNFQO-YPMHNXCESA-N 1 0 221.348 1.455 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000309474488 170032068 /nfs/dbraw/zinc/03/20/68/170032068.db2.gz RKGYLUVFUVFBGH-BXKDBHETSA-N 1 0 222.336 1.148 10 0 BDAERO CCN1C[C@H](C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062608948 170033750 /nfs/dbraw/zinc/03/37/50/170033750.db2.gz BPSDUJJDNVCUMB-JSGCOSHPSA-N 1 0 218.344 1.911 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000336779874 170037256 /nfs/dbraw/zinc/03/72/56/170037256.db2.gz PQZAEZOLEJRCFM-WCQYABFASA-N 1 0 224.348 1.263 10 0 BDAERO CCN1C[C@H]([NH2+][C@H]2CCCSC2)[C@@H](C)C1 ZINC000336769308 170037413 /nfs/dbraw/zinc/03/74/13/170037413.db2.gz USYBSEHLQDEFFB-SRVKXCTJSA-N 1 0 228.405 1.812 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000309453734 170038244 /nfs/dbraw/zinc/03/82/44/170038244.db2.gz LUDWGVCMXVPHFI-JOYOIKCWSA-N 1 0 239.388 1.881 10 0 BDAERO CCNC(=[NH2+])N(C)Cc1ccc(C)cc1 ZINC000052037288 170041518 /nfs/dbraw/zinc/04/15/18/170041518.db2.gz NZSWGVKPRNRWEA-UHFFFAOYSA-N 1 0 205.305 1.971 10 0 BDAERO CCNC(=O)CC[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000123863731 170050356 /nfs/dbraw/zinc/05/03/56/170050356.db2.gz VNCABPIIFKTKNV-NEPJUHHUSA-N 1 0 242.363 1.138 10 0 BDAERO CCNC(=O)CC[N@H+](CC)C1(CN)CCCC1 ZINC000051757837 170050569 /nfs/dbraw/zinc/05/05/69/170050569.db2.gz IVUMLYNEXZJEFD-UHFFFAOYSA-N 1 0 241.379 1.106 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1cccc(C)c1 ZINC000076616983 170053222 /nfs/dbraw/zinc/05/32/22/170053222.db2.gz HRBKQKWBQQQBHV-ZDUSSCGKSA-N 1 0 234.343 1.954 10 0 BDAERO CCNC(=O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020038122 170064460 /nfs/dbraw/zinc/06/44/60/170064460.db2.gz USVVJJMYYDKYSY-UHFFFAOYSA-N 1 0 236.359 1.681 10 0 BDAERO CCNC(=O)COc1ccccc1[C@@H]([NH3+])CC ZINC000022171800 170068210 /nfs/dbraw/zinc/06/82/10/170068210.db2.gz RHBUROUMTUNNTN-NSHDSACASA-N 1 0 236.315 1.611 10 0 BDAERO CCNC(=O)COc1cccc(C[C@H](C)[NH3+])c1 ZINC000037726411 170068790 /nfs/dbraw/zinc/06/87/90/170068790.db2.gz MURHWOSPGCTJEW-JTQLQIEISA-N 1 0 236.315 1.091 10 0 BDAERO CCNC(=O)N(CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747922 170071583 /nfs/dbraw/zinc/07/15/83/170071583.db2.gz LRGBALRUZRJCLK-ZACCUICWSA-N 1 0 225.336 1.321 10 0 BDAERO CCNC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000124326508 170074948 /nfs/dbraw/zinc/07/49/48/170074948.db2.gz RXTUSMJMDKMBHO-QWRGUYRKSA-N 1 0 225.336 1.275 10 0 BDAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1CCCC1 ZINC000037251912 170077377 /nfs/dbraw/zinc/07/73/77/170077377.db2.gz WUQKMPZDBBCJRX-SECBINFHSA-N 1 0 241.335 1.000 10 0 BDAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCC(C)C ZINC000037984489 170077697 /nfs/dbraw/zinc/07/76/97/170077697.db2.gz HQMACKGKLZUPEX-SNVBAGLBSA-N 1 0 243.351 1.246 10 0 BDAERO CCNC(=O)N[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000037748034 170082189 /nfs/dbraw/zinc/08/21/89/170082189.db2.gz BUBMGZRHCZOMAC-VIFPVBQESA-N 1 0 221.304 1.525 10 0 BDAERO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000095829469 170083506 /nfs/dbraw/zinc/08/35/06/170083506.db2.gz OSWFFUYJWDTTJM-QMMMGPOBSA-N 1 0 237.307 1.018 10 0 BDAERO CC[N@@H+]1CC[C@@H](NCc2nccn2C(C)C)C1 ZINC000657496245 411535695 /nfs/dbraw/zinc/53/56/95/411535695.db2.gz NOKMGXVZISNVNY-GFCCVEGCSA-N 1 0 236.363 1.648 10 0 BDAERO CCNC(=O)Nc1ccc(F)c(C[NH3+])c1 ZINC000051635436 170084693 /nfs/dbraw/zinc/08/46/93/170084693.db2.gz FUPULKQSTQFBEL-UHFFFAOYSA-N 1 0 211.240 1.426 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000049201370 170088019 /nfs/dbraw/zinc/08/80/19/170088019.db2.gz OXUIPVSKJJNAFJ-LLVKDONJSA-N 1 0 242.363 1.186 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccco1 ZINC000076584957 170090293 /nfs/dbraw/zinc/09/02/93/170090293.db2.gz YAMZRGLYLYIPIT-VIFPVBQESA-N 1 0 210.277 1.238 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309973935 170096229 /nfs/dbraw/zinc/09/62/29/170096229.db2.gz RIHIASWXSRDNPN-GARJFASQSA-N 1 0 230.327 1.629 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1ccccc1 ZINC000076610256 170097363 /nfs/dbraw/zinc/09/73/63/170097363.db2.gz CPODZCWXVPUURS-GFCCVEGCSA-N 1 0 220.316 1.645 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCCO[C@H](C)C1 ZINC000061920147 170106556 /nfs/dbraw/zinc/10/65/56/170106556.db2.gz QEKYATDCKGNTND-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCOC(C)(C)C1 ZINC000061299702 170107038 /nfs/dbraw/zinc/10/70/38/170107038.db2.gz LQWQHHBMFIJBHR-UHFFFAOYSA-N 1 0 214.353 1.485 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C)no1 ZINC000061278603 170107122 /nfs/dbraw/zinc/10/71/22/170107122.db2.gz FZXPQHBVZOPGOO-UHFFFAOYSA-N 1 0 211.265 1.310 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCSCC1 ZINC000061299643 170107394 /nfs/dbraw/zinc/10/73/94/170107394.db2.gz KWDXLIIGPWBFCQ-UHFFFAOYSA-N 1 0 202.367 1.423 10 0 BDAERO CC[NH2+]C(C)(C)c1nnc2n1CCCCC2 ZINC000061151279 170107778 /nfs/dbraw/zinc/10/77/78/170107778.db2.gz AJBXOTKYIWSKPT-UHFFFAOYSA-N 1 0 222.336 1.849 10 0 BDAERO CC[NH2+]C1CCN(C[C@@H]2CCCCO2)CC1 ZINC000037469352 170108474 /nfs/dbraw/zinc/10/84/74/170108474.db2.gz GBSYTYNKPGCDCU-ZDUSSCGKSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+]C1CCN(c2nccn2CC)CC1 ZINC000050607560 170109307 /nfs/dbraw/zinc/10/93/07/170109307.db2.gz QBOLONSETZAYGY-UHFFFAOYSA-N 1 0 222.336 1.481 10 0 BDAERO CC[NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000044294295 170109515 /nfs/dbraw/zinc/10/95/15/170109515.db2.gz GPNPLLYBJRZBJG-NWDGAFQWSA-N 1 0 224.348 1.777 10 0 BDAERO CC[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@H]23 ZINC000039287549 170110262 /nfs/dbraw/zinc/11/02/62/170110262.db2.gz GLFWKUKQJGKKFZ-MFKMUULPSA-N 1 0 230.311 1.249 10 0 BDAERO CC[NH2+]CCC(=O)N1CCC(C)(C)CC1 ZINC000061820979 170111495 /nfs/dbraw/zinc/11/14/95/170111495.db2.gz ZLTDCKUMQUACDU-UHFFFAOYSA-N 1 0 212.337 1.635 10 0 BDAERO CC[NH2+]CCC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000061287689 170111787 /nfs/dbraw/zinc/11/17/87/170111787.db2.gz SJUQLQODAZTUDQ-PHIMTYICSA-N 1 0 212.337 1.491 10 0 BDAERO CC[NH2+]CCC(=O)N[C@H]1CCOc2ccccc21 ZINC000061292242 170112179 /nfs/dbraw/zinc/11/21/79/170112179.db2.gz RZZNHIIZSYYPKJ-LBPRGKRZSA-N 1 0 248.326 1.626 10 0 BDAERO CC[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000041261894 170113383 /nfs/dbraw/zinc/11/33/83/170113383.db2.gz VSAMIEIORCRBDB-UHFFFAOYSA-N 1 0 233.359 1.418 10 0 BDAERO CC[NH2+]CCN(C)c1cc(C)cc2ncnn21 ZINC000053705019 170113797 /nfs/dbraw/zinc/11/37/97/170113797.db2.gz HMQPDHBEWIQOMK-UHFFFAOYSA-N 1 0 233.319 1.083 10 0 BDAERO CC[NH2+]CCN1C(=O)c2ccc(C)cc2C1=O ZINC000054267965 170113931 /nfs/dbraw/zinc/11/39/31/170113931.db2.gz VIZRUINXQFAGHJ-UHFFFAOYSA-N 1 0 232.283 1.201 10 0 BDAERO CC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000019913507 170117897 /nfs/dbraw/zinc/11/78/97/170117897.db2.gz VFNBTHMJGJOLLI-UHFFFAOYSA-N 1 0 207.273 1.610 10 0 BDAERO CC[NH2+]CCc1csc(CCOC)n1 ZINC000076783220 170117903 /nfs/dbraw/zinc/11/79/03/170117903.db2.gz MMEPMEUHLZKGCN-UHFFFAOYSA-N 1 0 214.334 1.484 10 0 BDAERO CC[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000051784300 170118223 /nfs/dbraw/zinc/11/82/23/170118223.db2.gz RGIDKZULJNTICX-UHFFFAOYSA-N 1 0 221.279 1.864 10 0 BDAERO CC[NH2+]CCn1nc(C)c(Cl)c1C ZINC000050586791 170118434 /nfs/dbraw/zinc/11/84/34/170118434.db2.gz AMKSOTDWOWPTSN-UHFFFAOYSA-N 1 0 201.701 1.763 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1ccc(C)c(C)c1 ZINC000071510626 170118705 /nfs/dbraw/zinc/11/87/05/170118705.db2.gz CEZAVGLEMYGQAS-ZDUSSCGKSA-N 1 0 207.317 1.816 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccc(C)c(C)c1 ZINC000032014564 170118895 /nfs/dbraw/zinc/11/88/95/170118895.db2.gz HFEDXZRZYCUOKF-GFCCVEGCSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@@H]1CCN(Cc2cnc(C)cn2)C1 ZINC000061321550 170120436 /nfs/dbraw/zinc/12/04/36/170120436.db2.gz HFJFSCGBACCRDC-LBPRGKRZSA-N 1 0 234.347 1.216 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C)C1 ZINC000061227108 170121836 /nfs/dbraw/zinc/12/18/36/170121836.db2.gz YEOICWPNCGUHBN-MNOVXSKESA-N 1 0 212.337 1.491 10 0 BDAERO CC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000037871988 170122658 /nfs/dbraw/zinc/12/26/58/170122658.db2.gz HYHZEJGTDAEWFY-VIFPVBQESA-N 1 0 201.216 1.608 10 0 BDAERO CC[NH2+]C[C@H](O)c1c(C)cc(C)cc1OC ZINC000083266738 170122763 /nfs/dbraw/zinc/12/27/63/170122763.db2.gz YRKCBWBNAMCDFT-NSHDSACASA-N 1 0 223.316 1.955 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc(OC)c(OC)c1 ZINC000032014966 170122768 /nfs/dbraw/zinc/12/27/68/170122768.db2.gz NDPIURGXNIHJBG-JTQLQIEISA-N 1 0 225.288 1.347 10 0 BDAERO CC[NH2+]Cc1c(C)nn(C)c1-n1ccnc1 ZINC000034825236 170124290 /nfs/dbraw/zinc/12/42/90/170124290.db2.gz SKPVTDBKPWCWQP-UHFFFAOYSA-N 1 0 219.292 1.024 10 0 BDAERO CC[NH2+]Cc1cc(-n2cc(C)cn2)ccn1 ZINC000051492185 170124642 /nfs/dbraw/zinc/12/46/42/170124642.db2.gz NRISCPCYGQZFGJ-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(N)=O ZINC000071406062 170125454 /nfs/dbraw/zinc/12/54/54/170125454.db2.gz GHTHZARXKWAEAP-JTQLQIEISA-N 1 0 236.315 1.357 10 0 BDAERO CC[NH2+]Cc1ccccc1N(CC)CC(=O)NC ZINC000042516496 170128332 /nfs/dbraw/zinc/12/83/32/170128332.db2.gz PEXCYJAEQQRSEM-UHFFFAOYSA-N 1 0 249.358 1.368 10 0 BDAERO CC[NH2+]Cc1ccnc(-n2cc(C)cn2)c1 ZINC000051492082 170128905 /nfs/dbraw/zinc/12/89/05/170128905.db2.gz YXCPPGNVLWUQLK-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1cccnc1-n1ccc(C)n1 ZINC000052885113 170129018 /nfs/dbraw/zinc/12/90/18/170129018.db2.gz UMBIVJKFEVNYSF-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1cnc(-c2cnn(C)c2)s1 ZINC000040996975 170129228 /nfs/dbraw/zinc/12/92/28/170129228.db2.gz JHWHZCJDZRSWJB-UHFFFAOYSA-N 1 0 222.317 1.653 10 0 BDAERO CC[NH2+]Cc1cccnc1-n1ccnc1C ZINC000051490901 170129392 /nfs/dbraw/zinc/12/93/92/170129392.db2.gz XADQRCGVNOZRMV-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1cccnc1-n1cc(C)cn1 ZINC000051492009 170129488 /nfs/dbraw/zinc/12/94/88/170129488.db2.gz PDOXMNQZLPPVEU-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1ccnc(N2CCCC2)n1 ZINC000054791382 170129719 /nfs/dbraw/zinc/12/97/19/170129719.db2.gz FXOCMJHALIVABO-UHFFFAOYSA-N 1 0 206.293 1.186 10 0 BDAERO CC[NH2+]Cc1cnn([C@H]2CCCCC[C@H]2O)c1 ZINC000054600470 170129918 /nfs/dbraw/zinc/12/99/18/170129918.db2.gz IPVANFXABDLLGH-QWHCGFSZSA-N 1 0 237.347 1.859 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H](C)C1CCCCC1 ZINC000054746808 170131522 /nfs/dbraw/zinc/13/15/22/170131522.db2.gz HRFLJANOCAQWOF-JTQLQIEISA-N 1 0 237.351 1.924 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H]1C[C@@H]1c1ccccc1 ZINC000054747503 170131532 /nfs/dbraw/zinc/13/15/32/170131532.db2.gz GYDMAKBIFKPEQA-NEPJUHHUSA-N 1 0 243.314 1.511 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H]1CCC[C@@H](C)C1 ZINC000054745232 170132208 /nfs/dbraw/zinc/13/22/08/170132208.db2.gz FZXAHBXHSHNEOA-NXEZZACHSA-N 1 0 223.324 1.534 10 0 BDAERO CC[NH2+][C@@H](C)c1ccc(O[C@H](C)C(N)=O)cc1 ZINC000034819247 170141815 /nfs/dbraw/zinc/14/18/15/170141815.db2.gz HZVPPWVUOHKQLI-VHSXEESVSA-N 1 0 236.315 1.610 10 0 BDAERO CC[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020084551 170142284 /nfs/dbraw/zinc/14/22/84/170142284.db2.gz XTBUSCIQCAEFQK-ZETCQYMHSA-N 1 0 205.261 1.527 10 0 BDAERO CC[NH2+][C@@H](C)c1ccccc1O[C@H](C)C(N)=O ZINC000034820823 170142304 /nfs/dbraw/zinc/14/23/04/170142304.db2.gz BAGILGBKHOOCSA-VHSXEESVSA-N 1 0 236.315 1.610 10 0 BDAERO CC[NH2+][C@@H](C1=CCCCC1)[C@@H]1COCCO1 ZINC000055301270 170142652 /nfs/dbraw/zinc/14/26/52/170142652.db2.gz LDQYQBPZYNDANM-STQMWFEESA-N 1 0 225.332 1.880 10 0 BDAERO CC[NH2+][C@@H](CO)c1ccc(F)c(F)c1 ZINC000038120302 170144579 /nfs/dbraw/zinc/14/45/79/170144579.db2.gz BUEMLTNOZMTIMH-JTQLQIEISA-N 1 0 201.216 1.608 10 0 BDAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1S(C)(=O)=O ZINC000054930366 170150631 /nfs/dbraw/zinc/15/06/31/170150631.db2.gz XXJXTSLUYOEPFG-MNOVXSKESA-N 1 0 233.377 1.732 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2nc(C)cs2)C1 ZINC000049533929 170151834 /nfs/dbraw/zinc/15/18/34/170151834.db2.gz MFLYLRRIFZMEST-SNVBAGLBSA-N 1 0 225.361 1.635 10 0 BDAERO CC[NH2+][C@@H]1CCN(CCc2cccnc2)C[C@@H]1C ZINC000049712935 170152200 /nfs/dbraw/zinc/15/22/00/170152200.db2.gz OUORSNMPJNNZIG-DZGCQCFKSA-N 1 0 247.386 1.944 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1=O ZINC000049647583 170152799 /nfs/dbraw/zinc/15/27/99/170152799.db2.gz FNSLAHSJPOBMMN-DGCLKSJQSA-N 1 0 232.327 1.958 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@H](C)c2ccccn2)C1=O ZINC000049648725 170153256 /nfs/dbraw/zinc/15/32/56/170153256.db2.gz CJGCYQGTUJREOD-ZYHUDNBSSA-N 1 0 233.315 1.353 10 0 BDAERO CC[NH2+][C@@H]1CCc2c(N)ccc(OC)c2C1 ZINC000029213352 170153713 /nfs/dbraw/zinc/15/37/13/170153713.db2.gz YRMVPJZCJCFYQG-SECBINFHSA-N 1 0 220.316 1.744 10 0 BDAERO CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1c1ccccc1 ZINC000004226959 170154007 /nfs/dbraw/zinc/15/40/07/170154007.db2.gz HNHXENQBLPHYQU-NWDGAFQWSA-N 1 0 239.340 1.177 10 0 BDAERO CC[NH2+][C@@H]1CC[S@](=O)c2ccc(OC)cc21 ZINC000040975781 170154309 /nfs/dbraw/zinc/15/43/09/170154309.db2.gz UHASEIWVDXQDHY-BDJLRTHQSA-N 1 0 239.340 1.857 10 0 BDAERO CCN[C@@H]1c2cc(F)ccc2S(=O)(=O)[C@H]1C ZINC000043636328 170154724 /nfs/dbraw/zinc/15/47/24/170154724.db2.gz XYKJREPMPZVFQB-CPCISQLKSA-N 1 0 243.303 1.652 10 0 BDAERO CCN[C@@](C)(C(N)=O)c1ccccc1F ZINC000037447682 170155280 /nfs/dbraw/zinc/15/52/80/170155280.db2.gz NFBVBEMWNLJXLF-LLVKDONJSA-N 1 0 210.252 1.136 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1cccc(C)c1C ZINC000043315291 170156218 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/nfs/dbraw/zinc/16/02/48/170160248.db2.gz FUTTXPYDBCOIBO-ICCXJUOJSA-N 1 0 237.347 1.948 10 0 BDAERO CC[NH2+][C@H](C1=CCCC1)[C@@H]1COCCO1 ZINC000055301301 170160758 /nfs/dbraw/zinc/16/07/58/170160758.db2.gz XMXRHFOZXAYATC-NWDGAFQWSA-N 1 0 211.305 1.490 10 0 BDAERO CC[NH2+][C@H](CC)Cc1nc(-c2cnccn2)no1 ZINC000104071683 170160908 /nfs/dbraw/zinc/16/09/08/170160908.db2.gz POOFKFUICKUQSX-SECBINFHSA-N 1 0 247.302 1.457 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@@H]1CN1CCOC[C@@H]1C ZINC000053858143 170165751 /nfs/dbraw/zinc/16/57/51/170165751.db2.gz ROELUMVACSOCBO-MJBXVCDLSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1CN1CCn2ccnc2C1 ZINC000062322321 170167293 /nfs/dbraw/zinc/16/72/93/170167293.db2.gz PXZLFBHJJARYDS-STQMWFEESA-N 1 0 248.374 1.477 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccccn2)C1 ZINC000037483455 170167771 /nfs/dbraw/zinc/16/77/71/170167771.db2.gz XUHFGXIJYATNHQ-LBPRGKRZSA-N 1 0 205.305 1.265 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@@H]1N1CCCCC1 ZINC000043814390 170168751 /nfs/dbraw/zinc/16/87/51/170168751.db2.gz STOSOBZYMKTUAN-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@H]1N1CCC(C)CC1 ZINC000043806795 170169049 /nfs/dbraw/zinc/16/90/49/170169049.db2.gz KHGDMJWQGMWVNC-QWHCGFSZSA-N 1 0 226.364 1.485 10 0 BDAERO CC[NH2+][C@]1(C(N)=O)C[C@H](C)CC(C)(C)C1 ZINC000037869531 170170753 /nfs/dbraw/zinc/17/07/53/170170753.db2.gz SZOJLIMLGFJDAC-BXKDBHETSA-N 1 0 212.337 1.666 10 0 BDAERO CCNc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccn1 ZINC000052729463 170172521 /nfs/dbraw/zinc/17/25/21/170172521.db2.gz AOBOHJUMKJJIMS-CYBMUJFWSA-N 1 0 249.358 1.860 10 0 BDAERO CCOC(=O)C1(NCC(C)C)CC[NH+](C)CC1 ZINC000037966167 170190687 /nfs/dbraw/zinc/19/06/87/170190687.db2.gz UZMZAWCGFGKHJX-UHFFFAOYSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)CC[N@H+](CCN(C)C)CC(C)C ZINC000042771772 170204189 /nfs/dbraw/zinc/20/41/89/170204189.db2.gz XKHGYKOACOLDAO-UHFFFAOYSA-N 1 0 244.379 1.459 10 0 BDAERO CCOC(=O)COc1ccc(C[NH3+])cc1 ZINC000019722798 170228661 /nfs/dbraw/zinc/22/86/61/170228661.db2.gz LAKKLNMAJYSYQY-UHFFFAOYSA-N 1 0 209.245 1.087 10 0 BDAERO CCOC(=O)COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798637 170229329 /nfs/dbraw/zinc/22/93/29/170229329.db2.gz UPJPYQBRPKQRBM-LLVKDONJSA-N 1 0 235.283 1.575 10 0 BDAERO CCOC(=O)C[C@H]1CCC[N@@H+](C2CC2)C1 ZINC000073653322 170233495 /nfs/dbraw/zinc/23/34/95/170233495.db2.gz PCQFTEPHULRHFA-SNVBAGLBSA-N 1 0 211.305 1.814 10 0 BDAERO CCOC(=O)C[C@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000050596508 170233776 /nfs/dbraw/zinc/23/37/76/170233776.db2.gz XQJYGPYHRNONOH-NSHDSACASA-N 1 0 237.299 1.957 10 0 BDAERO CCOC(=O)N1CCC(NC(C)=[NH2+])CC1 ZINC000040949653 170239101 /nfs/dbraw/zinc/23/91/01/170239101.db2.gz ATFZSSRUOAMYPE-UHFFFAOYSA-N 1 0 213.281 1.194 10 0 BDAERO CCOC(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000035691146 170242265 /nfs/dbraw/zinc/24/22/65/170242265.db2.gz YHDZCEDTUPBZRG-DTWKUNHWSA-N 1 0 200.282 1.263 10 0 BDAERO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC1(O)CCC1 ZINC000336772354 170248951 /nfs/dbraw/zinc/24/89/51/170248951.db2.gz VGHOYHVOGJGRMS-UWVGGRQHSA-N 1 0 229.320 1.079 10 0 BDAERO CO[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000660245339 411559136 /nfs/dbraw/zinc/55/91/36/411559136.db2.gz OMHHRNBPRYNNTI-IJLUTSLNSA-N 1 0 213.321 1.401 10 0 BDAERO CCOC(=O)[C@@H]1CC(C)(C)S[C@H]1[NH3+] ZINC000039085269 170256837 /nfs/dbraw/zinc/25/68/37/170256837.db2.gz YCWQMFBKHOYJJH-RNFRBKRXSA-N 1 0 203.307 1.366 10 0 BDAERO CCOC(=O)[C@H](C)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000049369743 170268101 /nfs/dbraw/zinc/26/81/01/170268101.db2.gz QWHNIIMPCWPRKV-QWRGUYRKSA-N 1 0 242.363 1.258 10 0 BDAERO CCOC(=O)[C@H](CC[N@H+](CC)[C@H](C)CC)NC ZINC000062446428 170272675 /nfs/dbraw/zinc/27/26/75/170272675.db2.gz LGNJZVKSKMVKOB-NEPJUHHUSA-N 1 0 244.379 1.648 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])Cc1cc(C)ccc1C ZINC000049669982 170273364 /nfs/dbraw/zinc/27/33/64/170273364.db2.gz ICYVQFQWKMXZOZ-ZDUSSCGKSA-N 1 0 235.327 1.984 10 0 BDAERO CCOC(=O)[C@](C)(C[NH+]1CCCCC1)NC ZINC000045229923 170284297 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FKQFBLIECWKXCD-NSHDSACASA-N 1 0 214.353 1.485 10 0 BDAERO CCOCCOc1ccc(C[NH2+]C)cc1 ZINC000034831934 170422997 /nfs/dbraw/zinc/42/29/97/170422997.db2.gz LNQWRZIFLQCACK-UHFFFAOYSA-N 1 0 209.289 1.821 10 0 BDAERO C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000657694233 411579167 /nfs/dbraw/zinc/57/91/67/411579167.db2.gz BFMRNBHSEONNPC-FRRDWIJNSA-N 1 0 238.375 1.881 10 0 BDAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000657693694 411580158 /nfs/dbraw/zinc/58/01/58/411580158.db2.gz FSIGQFHULZWRQO-ZDUSSCGKSA-N 1 0 232.327 1.563 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694789 411581328 /nfs/dbraw/zinc/58/13/28/411581328.db2.gz GPHQFJMMUQSKQW-IJLUTSLNSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657694791 411581330 /nfs/dbraw/zinc/58/13/30/411581330.db2.gz GPHQFJMMUQSKQW-WOPDTQHZSA-N 1 0 238.375 1.879 10 0 BDAERO OCC1CC([NH2+]Cc2cc(F)ccc2F)C1 ZINC000657813419 411603447 /nfs/dbraw/zinc/60/34/47/411603447.db2.gz XAUKOKBPMUAYNC-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO OCC1CC([NH2+]Cc2csc(C3CC3)n2)C1 ZINC000657813312 411603646 /nfs/dbraw/zinc/60/36/46/411603646.db2.gz SPXSPGMPBQFSOQ-UHFFFAOYSA-N 1 0 238.356 1.881 10 0 BDAERO Cc1ccc(F)c(C[NH2+]C2CC(CO)C2)c1 ZINC000657813180 411604205 /nfs/dbraw/zinc/60/42/05/411604205.db2.gz RUMWMFAMMKRSCQ-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO Cc1ccc(C[NH2+]C2CC(CO)C2)cc1F ZINC000657813023 411604307 /nfs/dbraw/zinc/60/43/07/411604307.db2.gz OXKRNQMTMCOENG-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO CCOc1ccc(S(=O)(=O)CCC[NH3+])cc1 ZINC000011897048 170557132 /nfs/dbraw/zinc/55/71/32/170557132.db2.gz IRTYAXQDTAXBKL-UHFFFAOYSA-N 1 0 243.328 1.208 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nccnc1C ZINC000630527656 411742562 /nfs/dbraw/zinc/74/25/62/411742562.db2.gz PYEPERGASRJCLL-VHSXEESVSA-N 1 0 206.293 1.337 10 0 BDAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cc(N)n[nH]1 ZINC000616644611 411864137 /nfs/dbraw/zinc/86/41/37/411864137.db2.gz AJZCQIFUWUDBFG-SNVBAGLBSA-N 1 0 238.335 1.554 10 0 BDAERO CC(C)(O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661688162 411833042 /nfs/dbraw/zinc/83/30/42/411833042.db2.gz BZCXFBRHQBPFGS-JTQLQIEISA-N 1 0 203.301 1.829 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cc2ccccc2[nH]1 ZINC000133581374 411837316 /nfs/dbraw/zinc/83/73/16/411837316.db2.gz NTTBVEZHBZCVCQ-SNVBAGLBSA-N 1 0 243.310 1.507 10 0 BDAERO CC[N@@H+]1CCC[C@H](c2c[nH]nc2N)CC1 ZINC000616600471 411856660 /nfs/dbraw/zinc/85/66/60/411856660.db2.gz ANSBAVYADCQPQJ-VIFPVBQESA-N 1 0 208.309 1.581 10 0 BDAERO CC[N@@H+]1CCOC[C@H](c2ccc(N)nc2)C1 ZINC000616661649 411858406 /nfs/dbraw/zinc/85/84/06/411858406.db2.gz VYTICLIGJYQANY-LLVKDONJSA-N 1 0 221.304 1.100 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cccc2cc[nH]c21 ZINC000133682674 411895205 /nfs/dbraw/zinc/89/52/05/411895205.db2.gz YFKQYSQFZZYHCQ-SNVBAGLBSA-N 1 0 243.310 1.507 10 0 BDAERO C[C@H]([NH2+]CCCc1cncn1C)[C@@H]1CCCO1 ZINC000314935675 411897619 /nfs/dbraw/zinc/89/76/19/411897619.db2.gz RKBBIYMPIZVENI-AAEUAGOBSA-N 1 0 237.347 1.510 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000661968067 411925265 /nfs/dbraw/zinc/92/52/65/411925265.db2.gz UEEKJHAZUFRTOV-UMSGYPCISA-N 1 0 209.333 1.879 10 0 BDAERO CC[C@@H](C[NH3+])CC(=O)NCc1ccccn1 ZINC000076610703 170822118 /nfs/dbraw/zinc/82/21/18/170822118.db2.gz GYAKODSCLOJMCX-SNVBAGLBSA-N 1 0 221.304 1.073 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cc(N)n[nH]1 ZINC000616645140 411869749 /nfs/dbraw/zinc/86/97/49/411869749.db2.gz LIJVYPMEJGJFFL-JTQLQIEISA-N 1 0 224.308 1.164 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2c[nH]nc2N)C1 ZINC000616653349 411869921 /nfs/dbraw/zinc/86/99/21/411869921.db2.gz MOSOCKOXMBYZDP-SNVBAGLBSA-N 1 0 224.308 1.164 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@H](c2cc(N)n[nH]2)C1 ZINC000616603102 411872805 /nfs/dbraw/zinc/87/28/05/411872805.db2.gz AVRMXWCHMJEAHZ-JTQLQIEISA-N 1 0 222.336 1.970 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(F)cc1F ZINC000036779497 170867545 /nfs/dbraw/zinc/86/75/45/170867545.db2.gz JLAZGZHUISBNLS-NXEZZACHSA-N 1 0 201.216 1.736 10 0 BDAERO CC[C@@H](NCC[NH3+])c1ccccc1OC ZINC000037712870 170895180 /nfs/dbraw/zinc/89/51/80/170895180.db2.gz VWOJNWWRPUHILA-LLVKDONJSA-N 1 0 208.305 1.695 10 0 BDAERO c1ccc2c(c1)ncnc2NC[C@H]1CC[NH2+]C1 ZINC000133777841 411945889 /nfs/dbraw/zinc/94/58/89/411945889.db2.gz PYNHEDVNDLMOFT-JTQLQIEISA-N 1 0 228.299 1.651 10 0 BDAERO CC[C@@H]1CCCCN1C(=O)n1cc[n+](C)c1 ZINC000037083691 170962678 /nfs/dbraw/zinc/96/26/78/170962678.db2.gz WXUCXBBVRKLOJK-LLVKDONJSA-N 1 0 222.312 1.545 10 0 BDAERO CO[C@H](CN[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662265929 412057511 /nfs/dbraw/zinc/05/75/11/412057511.db2.gz UNJNDJBHKWQUGW-CHWSQXEVSA-N 1 0 226.364 1.533 10 0 BDAERO CC[C@@H]1CCN([C@@H](C)COC)CC[NH2+]1 ZINC000049661089 171014313 /nfs/dbraw/zinc/01/43/13/171014313.db2.gz QUGIXWNIQYVFBJ-WDEREUQCSA-N 1 0 200.326 1.095 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCO[C@H]2C)C1 ZINC000300369026 171055683 /nfs/dbraw/zinc/05/56/83/171055683.db2.gz QCFPZQSKEPPQLL-RNJOBUHISA-N 1 0 227.348 1.695 10 0 BDAERO CC[C@@H]1CC[C@H](O)[C@H](C[N@H+](CCO)C(C)C)C1 ZINC000053924223 171057526 /nfs/dbraw/zinc/05/75/26/171057526.db2.gz KMVGVKXLOPRPFP-RDBSUJKOSA-N 1 0 243.391 1.876 10 0 BDAERO CC[C@@H]1CN(C2=NCCS2)[C@@H](C)C[NH2+]1 ZINC000083347596 171073358 /nfs/dbraw/zinc/07/33/58/171073358.db2.gz OZOZDJYSLZFQBI-DTWKUNHWSA-N 1 0 213.350 1.162 10 0 BDAERO CC[C@@H]1CN(CCOC)[C@H](C(C)C)C[NH2+]1 ZINC000082936661 171080784 /nfs/dbraw/zinc/08/07/84/171080784.db2.gz ZNVDYTZRHIUCCF-NEPJUHHUSA-N 1 0 214.353 1.341 10 0 BDAERO CC[C@@H]1C[N@H+](CCCOC)[C@H](C(C)C)CN1 ZINC000082936651 171081480 /nfs/dbraw/zinc/08/14/80/171081480.db2.gz CETMZXHSCVZBSH-OLZOCXBDSA-N 1 0 228.380 1.731 10 0 BDAERO CC[C@@H]1CN(Cc2cc(C[NH2+]C)no2)CCO1 ZINC000052477128 171087187 /nfs/dbraw/zinc/08/71/87/171087187.db2.gz SSWBZORKJJNOEH-LLVKDONJSA-N 1 0 239.319 1.005 10 0 BDAERO CC[C@@H]1CN(c2nnc(C)s2)CC[NH2+]1 ZINC000083347086 171100575 /nfs/dbraw/zinc/10/05/75/171100575.db2.gz LZWIOXTUAWAKBH-MRVPVSSYSA-N 1 0 212.322 1.035 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1cccnc1 ZINC000082934997 171103466 /nfs/dbraw/zinc/10/34/66/171103466.db2.gz KAEWIZQSIYXNNQ-DGCLKSJQSA-N 1 0 219.332 1.654 10 0 BDAERO CC[C@@H]1COCCN1CC[NH2+]CC1CCCC1 ZINC000053385236 171105426 /nfs/dbraw/zinc/10/54/26/171105426.db2.gz PINQBYBHGDPVMD-CQSZACIVSA-N 1 0 240.391 1.877 10 0 BDAERO CC[C@@](C)(O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000119410270 171178398 /nfs/dbraw/zinc/17/83/98/171178398.db2.gz ZLLNEGXAQIOTTE-WDEREUQCSA-N 1 0 201.310 1.258 10 0 BDAERO CC[C@@]1(C(=O)N[C@@H](C)CC2CC2)CCC[NH2+]1 ZINC000129035713 171195621 /nfs/dbraw/zinc/19/56/21/171195621.db2.gz BDDJXYWCRFOALZ-GWCFXTLKSA-N 1 0 224.348 1.823 10 0 BDAERO CC[C@@]1(C(=O)N[C@H](C)c2ccncc2)CCC[NH2+]1 ZINC000122361980 171197057 /nfs/dbraw/zinc/19/70/57/171197057.db2.gz GVNISOJOQBYNKB-RISCZKNCSA-N 1 0 247.342 1.791 10 0 BDAERO CC[C@H](C)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290730 171301853 /nfs/dbraw/zinc/30/18/53/171301853.db2.gz JPKRQADYFORQRR-QWRGUYRKSA-N 1 0 212.337 1.633 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)CC[NH2+]C1CC1 ZINC000042591249 171315987 /nfs/dbraw/zinc/31/59/87/171315987.db2.gz WYEIUAKPCDFTKP-NSHDSACASA-N 1 0 242.363 1.402 10 0 BDAERO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccncc1 ZINC000035125091 171326522 /nfs/dbraw/zinc/32/65/22/171326522.db2.gz NNGUGHYDMUEQJP-WDEREUQCSA-N 1 0 235.331 1.647 10 0 BDAERO CC[C@H](C)NC(=O)COCC[C@H]1CCCC[NH2+]1 ZINC000051862206 171326921 /nfs/dbraw/zinc/32/69/21/171326921.db2.gz NBUVTVSMMRGZQH-NWDGAFQWSA-N 1 0 242.363 1.450 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1ccncc1 ZINC000076618061 171333671 /nfs/dbraw/zinc/33/36/71/171333671.db2.gz XMEXJDWSUBVFQO-JQWIXIFHSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](C)OC[C@@H]1CCCC[NH2+]1 ZINC000051815755 171335534 /nfs/dbraw/zinc/33/55/34/171335534.db2.gz XOBYLSNJQYEKKT-SRVKXCTJSA-N 1 0 242.363 1.448 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1cccnc1 ZINC000076618055 171335742 /nfs/dbraw/zinc/33/57/42/171335742.db2.gz ZSRRIVDGRCSWAX-CMPLNLGQSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N(CC)[C@H](C)COC ZINC000037811948 171339048 /nfs/dbraw/zinc/33/90/48/171339048.db2.gz GYOOHSZLATUOKZ-WDEREUQCSA-N 1 0 230.352 1.258 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCCO[C@H](C)C1 ZINC000061920431 171339719 /nfs/dbraw/zinc/33/97/19/171339719.db2.gz KGXHZWSOOCVZEL-WDEREUQCSA-N 1 0 228.336 1.012 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N(CC)C[C@@H]1CCOC1 ZINC000037827287 171339919 /nfs/dbraw/zinc/33/99/19/171339919.db2.gz YIGTXHBVKZFPTM-RYUDHWBXSA-N 1 0 242.363 1.260 10 0 BDAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1cccc(OC)c1 ZINC000038065275 171348198 /nfs/dbraw/zinc/34/81/98/171348198.db2.gz XFYDFJGUUGUZBL-CABZTGNLSA-N 1 0 236.315 1.610 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1nnc2ccc(C)nn21 ZINC000050194454 171372899 /nfs/dbraw/zinc/37/28/99/171372899.db2.gz VMBVIRTURJGMON-OIBJUYFYSA-N 1 0 219.292 1.479 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC1(CO)CCCCC1 ZINC000053127115 171393949 /nfs/dbraw/zinc/39/39/49/171393949.db2.gz LBVOWILNARVAGB-QWRGUYRKSA-N 1 0 242.363 1.171 10 0 BDAERO CC[C@H](C[NH3+])CC(=O)NCc1ccccc1 ZINC000076610157 171430110 /nfs/dbraw/zinc/43/01/10/171430110.db2.gz SZLMNQRDUSRUQI-NSHDSACASA-N 1 0 220.316 1.678 10 0 BDAERO CC[C@H](C[NH3+])NC(=O)Cc1ccc(OC)cc1 ZINC000074534013 171430922 /nfs/dbraw/zinc/43/09/22/171430922.db2.gz UIWDEXDOXKCFSJ-LLVKDONJSA-N 1 0 236.315 1.091 10 0 BDAERO [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000662444612 412178837 /nfs/dbraw/zinc/17/88/37/412178837.db2.gz JMWSLGKCPJTVEM-NHCYSSNCSA-N 1 0 246.310 1.364 10 0 BDAERO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1cscn1 ZINC000665240776 412183261 /nfs/dbraw/zinc/18/32/61/412183261.db2.gz SCYXJLMADQPVLM-ZJUUUORDSA-N 1 0 225.361 1.936 10 0 BDAERO CC[C@H]([NH2+]C[C@@]1(O)CCOC1)C(C)(C)C ZINC000309091409 171526646 /nfs/dbraw/zinc/52/66/46/171526646.db2.gz CGFSGWNLJFVDNZ-JQWIXIFHSA-N 1 0 215.337 1.552 10 0 BDAERO CC[C@H](NC(=O)[C@H](CC)[NH2+]C)C(C)C ZINC000662409038 412154335 /nfs/dbraw/zinc/15/43/35/412154335.db2.gz DTXKFZKCFDHYOQ-UWVGGRQHSA-N 1 0 200.326 1.535 10 0 BDAERO CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)C(C)(C)C ZINC000309467849 171536117 /nfs/dbraw/zinc/53/61/17/171536117.db2.gz PXRXQWZXGQETOR-UWVGGRQHSA-N 1 0 232.343 1.875 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCC(C)(C)F ZINC000662662192 412261530 /nfs/dbraw/zinc/26/15/30/412261530.db2.gz BPUHDVLLFOPLCI-SECBINFHSA-N 1 0 218.316 1.614 10 0 BDAERO C[C@]1(CNC(=O)CC[C@H]2CCC[NH2+]2)CC1(F)F ZINC000662666106 412264780 /nfs/dbraw/zinc/26/47/80/412264780.db2.gz NSQXGMAIXTUWNT-MWLCHTKSSA-N 1 0 246.301 1.680 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cc(COC)cs1 ZINC000662561974 412220029 /nfs/dbraw/zinc/22/00/29/412220029.db2.gz UOBISSNCIXNJLM-MRVPVSSYSA-N 1 0 242.344 1.232 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@@H]1[NH3+] ZINC000662573019 412224754 /nfs/dbraw/zinc/22/47/54/412224754.db2.gz QFPYDZMWNJQURB-PWSUYJOCSA-N 1 0 236.359 1.762 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)c1ccccn1 ZINC000662605671 412237593 /nfs/dbraw/zinc/23/75/93/412237593.db2.gz MTAAYSRPOKUTHX-QWRGUYRKSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H]1CN(Cc2ccc(O)cc2)CC[NH2+]1 ZINC000083350652 171661811 /nfs/dbraw/zinc/66/18/11/171661811.db2.gz ZYLVMRIMLVYXJM-LBPRGKRZSA-N 1 0 220.316 1.576 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1nnc(C)s1 ZINC000083368666 171667128 /nfs/dbraw/zinc/66/71/28/171667128.db2.gz DYDKIMMQCCTUSG-VHSXEESVSA-N 1 0 240.376 1.813 10 0 BDAERO CC(F)(F)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000662897053 412338908 /nfs/dbraw/zinc/33/89/08/412338908.db2.gz BXILADHSIAEODW-VIFPVBQESA-N 1 0 220.263 1.290 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NC1CC2(CCC2)C1 ZINC000662906235 412341487 /nfs/dbraw/zinc/34/14/87/412341487.db2.gz KKJBKKGLULHRGM-NSHDSACASA-N 1 0 236.359 1.825 10 0 BDAERO CC1(C)C[C@@]1(C)NC(=O)C1CCC([NH3+])CC1 ZINC000662917156 412344464 /nfs/dbraw/zinc/34/44/64/412344464.db2.gz JENLQNUZFZWVFJ-SRHKJQAYSA-N 1 0 224.348 1.809 10 0 BDAERO CN(C(=O)C1CCC1)[C@H](C[NH3+])C(F)(F)F ZINC000662977567 412362114 /nfs/dbraw/zinc/36/21/14/412362114.db2.gz VXEVHGQJQHMTKN-SSDOTTSWSA-N 1 0 224.226 1.135 10 0 BDAERO CN(C(=O)[C@H]1CC1(C)C)[C@@H](C[NH3+])C(F)(F)F ZINC000662985502 412362777 /nfs/dbraw/zinc/36/27/77/412362777.db2.gz WFTMLTLHVINAFO-RQJHMYQMSA-N 1 0 238.253 1.381 10 0 BDAERO CN(C(=O)C1CC=CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662985797 412362793 /nfs/dbraw/zinc/36/27/93/412362793.db2.gz BBATVKSFRRTGSO-MRVPVSSYSA-N 1 0 236.237 1.301 10 0 BDAERO CN(C(=O)CCC1CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662985391 412363404 /nfs/dbraw/zinc/36/34/04/412363404.db2.gz XHROBBQXNOYSQF-MRVPVSSYSA-N 1 0 238.253 1.525 10 0 BDAERO CCc1c(C)nc(Cl)nc1N[C@@H]1CC[NH2+]C1 ZINC000073735048 171740812 /nfs/dbraw/zinc/74/08/12/171740812.db2.gz PVERJXNXJQVJPC-MRVPVSSYSA-N 1 0 240.738 1.775 10 0 BDAERO CCc1cc(N2CCC[C@H]2C[NH2+]C)ncn1 ZINC000053703984 171762000 /nfs/dbraw/zinc/76/20/00/171762000.db2.gz LKGBEWNTCURYCG-NSHDSACASA-N 1 0 220.320 1.227 10 0 BDAERO CCc1cc(N2CC[C@H]([NH3+])C2)nc(Cl)n1 ZINC000073734913 171763408 /nfs/dbraw/zinc/76/34/08/171763408.db2.gz JRFBJCVTPNSEPO-ZETCQYMHSA-N 1 0 226.711 1.230 10 0 BDAERO CCCc1nccnc1N(C)CCC[NH3+] ZINC000663271491 412404356 /nfs/dbraw/zinc/40/43/56/412404356.db2.gz CFDPMJLXUZNVHM-UHFFFAOYSA-N 1 0 208.309 1.214 10 0 BDAERO Cc1cnc(NCC23CC(C2)C[NH2+]3)nc1C ZINC000663274660 412404542 /nfs/dbraw/zinc/40/45/42/412404542.db2.gz SXFZEQLGXGPSEM-UHFFFAOYSA-N 1 0 218.304 1.257 10 0 BDAERO CCCc1nccnc1NC[C@@H]1CC[NH2+]C1 ZINC000663272415 412404592 /nfs/dbraw/zinc/40/45/92/412404592.db2.gz ODJZEAYYICTFOW-SNVBAGLBSA-N 1 0 220.320 1.451 10 0 BDAERO Cc1nsc(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663275407 412405446 /nfs/dbraw/zinc/40/54/46/412405446.db2.gz HWAWHOGFJLMIMB-MRVPVSSYSA-N 1 0 214.338 1.632 10 0 BDAERO c1cnc2c(c1)nccc2NCC12CC(C1)C[NH2+]2 ZINC000663275720 412405533 /nfs/dbraw/zinc/40/55/33/412405533.db2.gz NSVLCPFANONRHT-UHFFFAOYSA-N 1 0 240.310 1.216 10 0 BDAERO C[NH2+]C[C@H](C)Nc1cc(OC(C)C)ncn1 ZINC000663277345 412406579 /nfs/dbraw/zinc/40/65/79/412406579.db2.gz MTECFLXDSBUKMJ-VIFPVBQESA-N 1 0 224.308 1.284 10 0 BDAERO CCc1cc(N[C@H](C)C[NH2+]C)nc(C)n1 ZINC000663278415 412407381 /nfs/dbraw/zinc/40/73/81/412407381.db2.gz IBPTXCQWZNTODR-MRVPVSSYSA-N 1 0 208.309 1.367 10 0 BDAERO OCc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000133095374 412409252 /nfs/dbraw/zinc/40/92/52/412409252.db2.gz RXHMWWHFAHHCJN-GJZGRUSLSA-N 1 0 249.354 1.820 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ncc(Cl)cn1 ZINC000663281532 412409296 /nfs/dbraw/zinc/40/92/96/412409296.db2.gz XCTVGJMXKVUSFG-ZCFIWIBFSA-N 1 0 200.673 1.150 10 0 BDAERO CCc1cccc(CC)c1N(C)C[C@H](O)C[NH3+] ZINC000077373116 171855135 /nfs/dbraw/zinc/85/51/35/171855135.db2.gz XWVHYQPVSQFUHE-CYBMUJFWSA-N 1 0 236.359 1.567 10 0 BDAERO CCc1nc2n(n1)C[C@H]([NH2+]CC=C(C)C)CC2 ZINC000237063830 172015481 /nfs/dbraw/zinc/01/54/81/172015481.db2.gz QLMXPYFPHXZYED-LLVKDONJSA-N 1 0 234.347 1.711 10 0 BDAERO CCc1nnc(NC(=O)C[C@@H]([NH3+])C(C)C)s1 ZINC000225809273 487624065 /nfs/dbraw/zinc/62/40/65/487624065.db2.gz GTVJDLZQKORWJK-SSDOTTSWSA-N 1 0 242.348 1.412 10 0 BDAERO CCc1nocc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000339255359 172100010 /nfs/dbraw/zinc/10/00/10/172100010.db2.gz ZTTNRZQKNMBDLK-NSHDSACASA-N 1 0 226.320 1.734 10 0 BDAERO CCn1c(C)nnc1-c1cccc(CC[NH3+])c1 ZINC000104280894 172139641 /nfs/dbraw/zinc/13/96/41/172139641.db2.gz IBUQMRUKAJULFK-UHFFFAOYSA-N 1 0 230.315 1.775 10 0 BDAERO CCC(CC)[C@@H](O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225811077 487624082 /nfs/dbraw/zinc/62/40/82/487624082.db2.gz UUMWIEDWUOWRSN-NEPJUHHUSA-N 1 0 244.379 1.273 10 0 BDAERO CCn1cc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)cn1 ZINC000295051346 172165826 /nfs/dbraw/zinc/16/58/26/172165826.db2.gz PPBBAUYNTHYPKG-CMPLNLGQSA-N 1 0 223.320 1.248 10 0 BDAERO CCn1cc(C[NH2+][C@H]2CCCCC[C@@H]2O)cn1 ZINC000135707985 172175209 /nfs/dbraw/zinc/17/52/09/172175209.db2.gz PGGUDOHGWBHRDV-STQMWFEESA-N 1 0 237.347 1.686 10 0 BDAERO CCn1cc(C[C@H]2CCCC[C@H]2[NH3+])cn1 ZINC000050540743 172176955 /nfs/dbraw/zinc/17/69/55/172176955.db2.gz PQMWROOZUBUMLH-VXGBXAGGSA-N 1 0 207.321 1.963 10 0 BDAERO CCn1cc(N2CC[C@H]([NH2+]C)[C@H](C)C2)cn1 ZINC000049711224 172177755 /nfs/dbraw/zinc/17/77/55/172177755.db2.gz CDHIUWOOFAEQLS-PWSUYJOCSA-N 1 0 222.336 1.337 10 0 BDAERO CCn1cc(NC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000054240698 172185890 /nfs/dbraw/zinc/18/58/90/172185890.db2.gz BOUAOLWANJEICJ-GFCCVEGCSA-N 1 0 222.336 1.799 10 0 BDAERO CCn1cc([C@@H]([NH3+])Cc2nc(C)cs2)cn1 ZINC000055267738 172193778 /nfs/dbraw/zinc/19/37/78/172193778.db2.gz MLVAWQCJASAYDB-JTQLQIEISA-N 1 0 236.344 1.910 10 0 BDAERO CCn1cc([C@H]([NH3+])Cc2nc(C)cs2)cn1 ZINC000055267736 172199188 /nfs/dbraw/zinc/19/91/88/172199188.db2.gz MLVAWQCJASAYDB-SNVBAGLBSA-N 1 0 236.344 1.910 10 0 BDAERO CCn1cc([C@H]([NH3+])Cc2ccncc2)cn1 ZINC000053135005 172199537 /nfs/dbraw/zinc/19/95/37/172199537.db2.gz CWXGBBOBLBTKHW-GFCCVEGCSA-N 1 0 216.288 1.541 10 0 BDAERO CCn1cccc1C[NH2+]CC(=O)NC(C)C ZINC000085608820 172207527 /nfs/dbraw/zinc/20/75/27/172207527.db2.gz GRFIRYUHZSREAO-UHFFFAOYSA-N 1 0 223.320 1.122 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000091025247 172209362 /nfs/dbraw/zinc/20/93/62/172209362.db2.gz VEEPJXQXYROSQN-LBPRGKRZSA-N 1 0 232.331 1.883 10 0 BDAERO CCn1cccc1C[NH2+][C@](C)(CC)CO ZINC000085609855 172209669 /nfs/dbraw/zinc/20/96/69/172209669.db2.gz PKJIVXAZQGTICV-GFCCVEGCSA-N 1 0 210.321 1.759 10 0 BDAERO CCn1cccc1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000168195216 172209825 /nfs/dbraw/zinc/20/98/25/172209825.db2.gz ACXQSBNLYWAOEY-NEPJUHHUSA-N 1 0 222.332 1.757 10 0 BDAERO CCn1cccc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000134530617 172209922 /nfs/dbraw/zinc/20/99/22/172209922.db2.gz CNXOISYKDUCYAX-CMPLNLGQSA-N 1 0 208.305 1.775 10 0 BDAERO CCn1cc[nH+]c1NC[C@@H](O)c1ccc(N)cc1 ZINC000050614409 172227513 /nfs/dbraw/zinc/22/75/13/172227513.db2.gz ZWGVWXQECYXDFZ-GFCCVEGCSA-N 1 0 246.314 1.631 10 0 BDAERO CCn1cc[nH+]c1NCc1ccnc(C)n1 ZINC000050614098 172227533 /nfs/dbraw/zinc/22/75/33/172227533.db2.gz FHEVZUDKPHAKFR-UHFFFAOYSA-N 1 0 217.276 1.614 10 0 BDAERO CCn1ccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000051883201 172228578 /nfs/dbraw/zinc/22/85/78/172228578.db2.gz GOKQHZRQIDJNLT-SNVBAGLBSA-N 1 0 209.293 1.281 10 0 BDAERO CCn1cnnc1C[C@H]([NH3+])c1ccccc1 ZINC000054497709 172237218 /nfs/dbraw/zinc/23/72/18/172237218.db2.gz QWCAZZIHLNWWCL-NSHDSACASA-N 1 0 216.288 1.541 10 0 BDAERO CCn1cnnc1[C@@H](C[NH3+])c1ccccc1 ZINC000061609618 172240006 /nfs/dbraw/zinc/24/00/06/172240006.db2.gz KIBRCLPLDRPSLY-NSHDSACASA-N 1 0 216.288 1.389 10 0 BDAERO CCn1nc(C)c([C@H](C)[NH2+]CCN(C)C)c1C ZINC000045166821 172248258 /nfs/dbraw/zinc/24/82/58/172248258.db2.gz KKYGAZHHAKLAJA-JTQLQIEISA-N 1 0 238.379 1.732 10 0 BDAERO CCn1ncc(C[NH2+]Cc2ccnn2C)c1C ZINC000020349918 172254985 /nfs/dbraw/zinc/25/49/85/172254985.db2.gz UXYCJANQYRYZEY-UHFFFAOYSA-N 1 0 233.319 1.235 10 0 BDAERO CN(C(=O)CC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000037870714 172301255 /nfs/dbraw/zinc/30/12/55/172301255.db2.gz ISXBPEPNCDRIAU-LBPRGKRZSA-N 1 0 224.348 1.777 10 0 BDAERO CN(C(=O)[C@](C)([NH3+])C1CC1)C1CCCCC1 ZINC000037478777 172336093 /nfs/dbraw/zinc/33/60/93/172336093.db2.gz LLODXWXWJHRBQC-CYBMUJFWSA-N 1 0 224.348 1.905 10 0 BDAERO CN(C)C(=O)C[N@H+](Cc1cccc(N)c1)C1CC1 ZINC000035081148 172364110 /nfs/dbraw/zinc/36/41/10/172364110.db2.gz ZTCAXVGNDJLYCW-UHFFFAOYSA-N 1 0 247.342 1.321 10 0 BDAERO CN(C)C(=O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852708 172370148 /nfs/dbraw/zinc/37/01/48/172370148.db2.gz QIIXOLJJLVOEBX-LLVKDONJSA-N 1 0 234.299 1.057 10 0 BDAERO CN(C)C(=O)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718693 172370375 /nfs/dbraw/zinc/37/03/75/172370375.db2.gz QXMWSMLOHCFIJL-UHFFFAOYSA-N 1 0 242.269 1.185 10 0 BDAERO CN(C)C(=O)Oc1ccc2c(c1)[C@@H]([NH3+])CC2 ZINC000013492197 172382137 /nfs/dbraw/zinc/38/21/37/172382137.db2.gz QZQSLQIZEWMPQS-NSHDSACASA-N 1 0 220.272 1.693 10 0 BDAERO CN(C)C(=O)Nc1cccc(F)c1C[NH3+] ZINC000082641572 172382444 /nfs/dbraw/zinc/38/24/44/172382444.db2.gz XECUEUKRVSFXTG-UHFFFAOYSA-N 1 0 211.240 1.378 10 0 BDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000120381542 172386774 /nfs/dbraw/zinc/38/67/74/172386774.db2.gz HZTCUJXGFHWXCV-CYBMUJFWSA-N 1 0 247.342 1.177 10 0 BDAERO C[NH+](C)C(C)(C)CNc1ncccc1N ZINC000043411303 172397228 /nfs/dbraw/zinc/39/72/28/172397228.db2.gz UHCBQFNEVVXQKQ-UHFFFAOYSA-N 1 0 208.309 1.416 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC2(C)C)C1 ZINC000121684192 172527600 /nfs/dbraw/zinc/52/76/00/172527600.db2.gz IKGXITDXHKHDEV-NXEZZACHSA-N 1 0 210.321 1.195 10 0 BDAERO CN(CCc1ccccn1)c1ccc(C[NH3+])cn1 ZINC000019843936 172787057 /nfs/dbraw/zinc/78/70/57/172787057.db2.gz IUVFHUXWGDYWKP-UHFFFAOYSA-N 1 0 242.326 1.614 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)c1nc2cccnc2[nH]1 ZINC000095071267 172833791 /nfs/dbraw/zinc/83/37/91/172833791.db2.gz VXXDLTWSQHUKET-VIFPVBQESA-N 1 0 231.303 1.004 10 0 BDAERO CN(c1ncc(C[NH3+])s1)C1CCOCC1 ZINC000054895978 172954523 /nfs/dbraw/zinc/95/45/23/172954523.db2.gz UAPMTGZUZDHVJZ-UHFFFAOYSA-N 1 0 227.333 1.217 10 0 BDAERO C[NH+]1CCC(c2n[nH]c3cc(N)ccc32)CC1 ZINC000089200328 173001979 /nfs/dbraw/zinc/00/19/79/173001979.db2.gz MOXRMAKVCYGZRH-UHFFFAOYSA-N 1 0 230.315 1.954 10 0 BDAERO Cn1ccc(NC[C@H]2CCCC[N@@H+]2C)n1 ZINC000054242776 173005048 /nfs/dbraw/zinc/00/50/48/173005048.db2.gz GKGJNALKYYZJAD-SNVBAGLBSA-N 1 0 208.309 1.316 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]C1(CO)CCCCC1 ZINC000054243964 173009244 /nfs/dbraw/zinc/00/92/44/173009244.db2.gz LMLTXICGTQYCDZ-ZDUSSCGKSA-N 1 0 240.391 1.756 10 0 BDAERO Cn1cc(NC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000054240687 173009711 /nfs/dbraw/zinc/00/97/11/173009711.db2.gz JGAYPPZJWPMBKN-NSHDSACASA-N 1 0 208.309 1.316 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC000044561698 173010205 /nfs/dbraw/zinc/01/02/05/173010205.db2.gz ABMRURFUQAYMPY-RYUDHWBXSA-N 1 0 212.337 1.097 10 0 BDAERO C[N@@H+]1CCCN(c2ccc(N)cc2F)CC1 ZINC000032628485 173019164 /nfs/dbraw/zinc/01/91/64/173019164.db2.gz DZVMBVDQVQEWNT-UHFFFAOYSA-N 1 0 223.295 1.550 10 0 BDAERO C[N@@H+]1CCC[C@H](CNc2ccc(N)cn2)C1 ZINC000044535755 173040961 /nfs/dbraw/zinc/04/09/61/173040961.db2.gz JWGKIKRSYVHIJD-SNVBAGLBSA-N 1 0 220.320 1.418 10 0 BDAERO CN1CCC[C@H](C[NH3+])[C@H]1c1cccnc1 ZINC000082382482 173041108 /nfs/dbraw/zinc/04/11/08/173041108.db2.gz NQQYYACKBQLARV-PWSUYJOCSA-N 1 0 205.305 1.423 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ccc(F)cc2N)C1 ZINC000040715734 173046304 /nfs/dbraw/zinc/04/63/04/173046304.db2.gz SWNZMXPDOHGZBT-JTQLQIEISA-N 1 0 223.295 1.914 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000076692660 173046585 /nfs/dbraw/zinc/04/65/85/173046585.db2.gz OHNYOFPWXBFRQX-LBPRGKRZSA-N 1 0 248.326 1.964 10 0 BDAERO C[N@@H+]1CCC[C@H]1CCn1cc2[nH]cccc-2c1=O ZINC000065369881 173054222 /nfs/dbraw/zinc/05/42/22/173054222.db2.gz SUAISPLKIHGCCI-NSHDSACASA-N 1 0 245.326 1.522 10 0 BDAERO CN1CC[NH+]([C@@H]2CNc3ccccc3C2)CC1 ZINC000037761069 173093511 /nfs/dbraw/zinc/09/35/11/173093511.db2.gz JHQJAZSMCXQVPF-ZDUSSCGKSA-N 1 0 231.343 1.271 10 0 BDAERO CN1CCO[C@H](C[NH2+]Cc2cccs2)C1 ZINC000082432928 173108383 /nfs/dbraw/zinc/10/83/83/173108383.db2.gz CJRNOJAKLPAGNL-SNVBAGLBSA-N 1 0 226.345 1.168 10 0 BDAERO C[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2N)C1 ZINC000037758696 173110066 /nfs/dbraw/zinc/11/00/66/173110066.db2.gz SYLCVFQTXMEDEX-SECBINFHSA-N 1 0 219.288 1.159 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc(F)cc2N)C1 ZINC000042544869 173125829 /nfs/dbraw/zinc/12/58/29/173125829.db2.gz GLXVVHCOLQAFQW-SECBINFHSA-N 1 0 209.268 1.524 10 0 BDAERO CN1CC[C@H]([NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000042544651 173154731 /nfs/dbraw/zinc/15/47/31/173154731.db2.gz HMCHJONCILCQRY-JOYOIKCWSA-N 1 0 234.299 1.119 10 0 BDAERO C[N@@H+]1CC[C@]2(CCCN2c2cnccn2)C1 ZINC000038587351 173164544 /nfs/dbraw/zinc/16/45/44/173164544.db2.gz DDXYCPBDMOSPCU-GFCCVEGCSA-N 1 0 218.304 1.151 10 0 BDAERO CN1CCc2cc(C[C@@H]3CCC[NH2+]3)ccc21 ZINC000074361830 173170018 /nfs/dbraw/zinc/17/00/18/173170018.db2.gz ITEWPPXREWRRDB-ZDUSSCGKSA-N 1 0 216.328 1.973 10 0 BDAERO CN1CCc2cc([C@H]3C[C@@]3(C[NH3+])CO)ccc21 ZINC000070553539 173172039 /nfs/dbraw/zinc/17/20/39/173172039.db2.gz SXPYVXGAAYPTFF-TZMCWYRMSA-N 1 0 232.327 1.104 10 0 BDAERO CN1CCc2sc(C[NH2+]C3CC3)cc2C1 ZINC000045206003 173177036 /nfs/dbraw/zinc/17/70/36/173177036.db2.gz FKJLEPHZKRVDID-UHFFFAOYSA-N 1 0 222.357 1.988 10 0 BDAERO CN1C[C@H](O)C[C@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000336382976 173195692 /nfs/dbraw/zinc/19/56/92/173195692.db2.gz NBCHMICZINNNSJ-QWHCGFSZSA-N 1 0 240.391 1.610 10 0 BDAERO C[N@@H+]1C[C@@H]2ON=C(c3ccc(O)cc3)[C@@H]2C1 ZINC000169356982 173198080 /nfs/dbraw/zinc/19/80/80/173198080.db2.gz KFBAEGLCRCONKM-MNOVXSKESA-N 1 0 218.256 1.057 10 0 BDAERO CNC(=O)CN(C)[C@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042908342 173270506 /nfs/dbraw/zinc/27/05/06/173270506.db2.gz LGFTXNCXLYAKMR-FZMZJTMJSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)CN(C)c1ccccc1C[NH2+]C(C)C ZINC000037271313 173272197 /nfs/dbraw/zinc/27/21/97/173272197.db2.gz XQCAMMPCCBGPEY-UHFFFAOYSA-N 1 0 249.358 1.367 10 0 BDAERO CNC(=O)COc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629410 173279400 /nfs/dbraw/zinc/27/94/00/173279400.db2.gz RWYJFKMUQYWOAE-SECBINFHSA-N 1 0 222.288 1.140 10 0 BDAERO CNC(=O)Nc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038041367 173292954 /nfs/dbraw/zinc/29/29/54/173292954.db2.gz BUHLRUMJCCVJNS-UHFFFAOYSA-N 1 0 248.330 1.602 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043534347 173294988 /nfs/dbraw/zinc/29/49/88/173294988.db2.gz DIZCIWUBEUYAFZ-NWDGAFQWSA-N 1 0 234.343 1.904 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000042560346 173295522 /nfs/dbraw/zinc/29/55/22/173295522.db2.gz RXYMAFDJXNRSIS-NXEZZACHSA-N 1 0 236.315 1.480 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000042560538 173295865 /nfs/dbraw/zinc/29/58/65/173295865.db2.gz WRRAGRPENPERGM-RKDXNWHRSA-N 1 0 222.288 1.177 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000034818837 173296035 /nfs/dbraw/zinc/29/60/35/173296035.db2.gz CIGXVRSFGDKEAH-NXEZZACHSA-N 1 0 236.315 1.480 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042862205 173302526 /nfs/dbraw/zinc/30/25/26/173302526.db2.gz ZDVCFQYUWZUTAQ-OUAUKWLOSA-N 1 0 212.337 1.537 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020419247 173304377 /nfs/dbraw/zinc/30/43/77/173304377.db2.gz IOFNLEYMABOLAX-IUCAKERBSA-N 1 0 222.288 1.220 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020419407 173304539 /nfs/dbraw/zinc/30/45/39/173304539.db2.gz XQAFNKXWTQBCEA-BDAKNGLRSA-N 1 0 222.288 1.220 10 0 BDAERO CNC(=O)c1cc(N[C@@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000038050756 173309950 /nfs/dbraw/zinc/30/99/50/173309950.db2.gz FXVVOPZJIBXLLU-GHMZBOCLSA-N 1 0 248.330 1.123 10 0 BDAERO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C)C2)cc1 ZINC000061985211 173311147 /nfs/dbraw/zinc/31/11/47/173311147.db2.gz OIAOOPIUUBJFSL-LBPRGKRZSA-N 1 0 233.315 1.162 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(Cc1ccccn1)C(C)C ZINC000061317454 173317377 /nfs/dbraw/zinc/31/73/77/173317377.db2.gz LDIPPLDMGPWMOO-UHFFFAOYSA-N 1 0 249.358 1.817 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccsc1 ZINC000061300448 173317920 /nfs/dbraw/zinc/31/79/20/173317920.db2.gz QFIVQDBNBOYXNP-UHFFFAOYSA-N 1 0 226.345 1.705 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000061317787 173318581 /nfs/dbraw/zinc/31/85/81/173318581.db2.gz ATDRJMLENSZZAE-NSHDSACASA-N 1 0 248.326 1.104 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000061300204 173318718 /nfs/dbraw/zinc/31/87/18/173318718.db2.gz DKDQCDMMMCYULL-ZJUUUORDSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]C(C)(C)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000061319775 173318979 /nfs/dbraw/zinc/31/89/79/173318979.db2.gz JOZUECYQKRSMLD-NWDGAFQWSA-N 1 0 226.364 1.628 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccnc1Cl ZINC000061300823 173319357 /nfs/dbraw/zinc/31/93/57/173319357.db2.gz KPOUNFHEBNCOHH-UHFFFAOYSA-N 1 0 227.695 1.672 10 0 BDAERO C[NH2+]C(C)(C)CN1CCCSCC1 ZINC000061319671 173319662 /nfs/dbraw/zinc/31/96/62/173319662.db2.gz BXTZSPGWXHLZME-UHFFFAOYSA-N 1 0 202.367 1.423 10 0 BDAERO C[NH2+]C1CCN(C[C@@](C)(O)c2ccccc2)CC1 ZINC000052096757 173322897 /nfs/dbraw/zinc/32/28/97/173322897.db2.gz CNSDFBRWRFZVCX-OAHLLOKOSA-N 1 0 248.370 1.578 10 0 BDAERO C[NH2+]CC(=O)NCCCc1ccc(F)c(C)c1 ZINC000077383963 173328989 /nfs/dbraw/zinc/32/89/89/173328989.db2.gz ONZWKIAMSDTPJY-UHFFFAOYSA-N 1 0 238.306 1.402 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](C)c1cccc(F)c1 ZINC000040420141 173331835 /nfs/dbraw/zinc/33/18/35/173331835.db2.gz WHUXGAIBUOZBSX-QMMMGPOBSA-N 1 0 210.252 1.222 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc2[nH]ccc2c1 ZINC000040809785 173333970 /nfs/dbraw/zinc/33/39/70/173333970.db2.gz WWDRZOQAOPFLKK-UHFFFAOYSA-N 1 0 203.245 1.326 10 0 BDAERO C[NH2+]CC(=O)c1c[nH]c2c1cccc2F ZINC000082379023 173335410 /nfs/dbraw/zinc/33/54/10/173335410.db2.gz DRQKNBBQQQKJSM-UHFFFAOYSA-N 1 0 206.220 1.709 10 0 BDAERO C[NH2+]CC(=O)c1cccc2cnccc21 ZINC000082912338 173336680 /nfs/dbraw/zinc/33/66/80/173336680.db2.gz ASPMWTIMABGYNU-UHFFFAOYSA-N 1 0 200.241 1.637 10 0 BDAERO C[NH2+]CC1(CN2CCOC[C@H]2C)CCCC1 ZINC000051216729 173338176 /nfs/dbraw/zinc/33/81/76/173338176.db2.gz SFXAVLDOYXWLPE-GFCCVEGCSA-N 1 0 226.364 1.487 10 0 BDAERO C[NH2+]CCC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000043600295 173342276 /nfs/dbraw/zinc/34/22/76/173342276.db2.gz CDFYVPNHFKEILB-UHFFFAOYSA-N 1 0 244.298 1.420 10 0 BDAERO C[NH2+]CCCOc1c(OC)cccc1OC ZINC000019669851 173349442 /nfs/dbraw/zinc/34/94/42/173349442.db2.gz XRMOIXMWDRCVOV-UHFFFAOYSA-N 1 0 225.288 1.692 10 0 BDAERO C[NH2+]CCCOCc1ccc2c(c1)OCCO2 ZINC000077374036 173350128 /nfs/dbraw/zinc/35/01/28/173350128.db2.gz NDXXHONKHSRQGQ-UHFFFAOYSA-N 1 0 237.299 1.584 10 0 BDAERO C[NH2+]CCCC1C(=O)NN=C1c1ccccc1 ZINC000034925772 173350566 /nfs/dbraw/zinc/35/05/66/173350566.db2.gz XGLXOOGALKZFGF-UHFFFAOYSA-N 1 0 231.299 1.934 10 0 BDAERO C[NH2+]CCC[C@H](O)c1ccc(OC)c(OC)c1 ZINC000076857972 173350583 /nfs/dbraw/zinc/35/05/83/173350583.db2.gz KGWYLKMGDNVKQU-NSHDSACASA-N 1 0 239.315 1.737 10 0 BDAERO C[NH2+]CCCc1nnc(Cc2ccc(F)cc2)o1 ZINC000050616748 173351371 /nfs/dbraw/zinc/35/13/71/173351371.db2.gz LASXVKHAHPHXJI-UHFFFAOYSA-N 1 0 249.289 1.952 10 0 BDAERO C[NH2+]CCCn1c(C)nc2ccccc21 ZINC000042225216 173351478 /nfs/dbraw/zinc/35/14/78/173351478.db2.gz VXSVVIZZOZPLGG-UHFFFAOYSA-N 1 0 203.289 1.954 10 0 BDAERO C[NH2+]CCCn1ccc(=O)c2ccccc21 ZINC000043373699 173351492 /nfs/dbraw/zinc/35/14/92/173351492.db2.gz LWPFAECEMGGZNL-UHFFFAOYSA-N 1 0 216.284 1.611 10 0 BDAERO C[NH2+]CCCc1nc2cc(F)ccc2[nH]1 ZINC000037439185 173351588 /nfs/dbraw/zinc/35/15/88/173351588.db2.gz DRUCSIOOSCXPDY-UHFFFAOYSA-N 1 0 207.252 1.854 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc2c(c1)OCO2 ZINC000077372824 173352651 /nfs/dbraw/zinc/35/26/51/173352651.db2.gz SUCKWTFWWLXFBD-UHFFFAOYSA-N 1 0 236.315 1.109 10 0 BDAERO C[NH2+]CCN(C)CCc1cc(C)ccc1C ZINC000077331443 173352747 /nfs/dbraw/zinc/35/27/47/173352747.db2.gz NNBRIJGCVRVWTM-UHFFFAOYSA-N 1 0 220.360 1.997 10 0 BDAERO C[NH2+]CCN1CC[C@@H](c2ccccc2)C1 ZINC000050599004 173354799 /nfs/dbraw/zinc/35/47/99/173354799.db2.gz YHMQMJNBJBRKFU-CYBMUJFWSA-N 1 0 204.317 1.695 10 0 BDAERO C[NH2+]CCSc1nnc2ccccn21 ZINC000034234084 173357506 /nfs/dbraw/zinc/35/75/06/173357506.db2.gz RFZLULCFOALLMN-UHFFFAOYSA-N 1 0 208.290 1.041 10 0 BDAERO C[NH2+]CCc1noc([C@H]2Cc3ccccc3O2)n1 ZINC000051850675 173361626 /nfs/dbraw/zinc/36/16/26/173361626.db2.gz PSAQITBMRIGQHQ-LLVKDONJSA-N 1 0 245.282 1.508 10 0 BDAERO C[NH2+]C[C@@H](C)O[C@@H](C)C(=O)NC1CCCCC1 ZINC000051842244 173364726 /nfs/dbraw/zinc/36/47/26/173364726.db2.gz RIPNUOILMUOMLR-MNOVXSKESA-N 1 0 242.363 1.448 10 0 BDAERO C[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000052419056 173364872 /nfs/dbraw/zinc/36/48/72/173364872.db2.gz GMGAUUKKGRUTJF-LLVKDONJSA-N 1 0 204.317 1.653 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1cc(Cl)ccc1OC ZINC000041251939 173365344 /nfs/dbraw/zinc/36/53/44/173365344.db2.gz PYTHADAWVGFEOG-JTQLQIEISA-N 1 0 229.707 1.471 10 0 BDAERO C[NH2+]C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000019864546 173365401 /nfs/dbraw/zinc/36/54/01/173365401.db2.gz FWMLQEHXTQTVED-LLVKDONJSA-N 1 0 237.343 1.943 10 0 BDAERO C[NH2+]C[C@@H](c1cccc(OC)c1)N(C)C ZINC000019862114 173366646 /nfs/dbraw/zinc/36/66/46/173366646.db2.gz WOLUUBLGIPYKSP-LBPRGKRZSA-N 1 0 208.305 1.517 10 0 BDAERO C[NH2+]C[C@@H](c1ccccc1)n1ccnc1 ZINC000052575542 173366726 /nfs/dbraw/zinc/36/67/26/173366726.db2.gz MHXOALQZQPNYQB-LBPRGKRZSA-N 1 0 201.273 1.692 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1ncnc2ccccc21 ZINC000053703892 173369611 /nfs/dbraw/zinc/36/96/11/173369611.db2.gz JKXQIAGLRXOXIE-NSHDSACASA-N 1 0 242.326 1.818 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc(F)c(F)c1 ZINC000036157350 173372154 /nfs/dbraw/zinc/37/21/54/173372154.db2.gz UEDUYAQAJZLTEK-SNVBAGLBSA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+]C[C@@]1(CC2CCOCC2)CCCOC1 ZINC000062193666 173373213 /nfs/dbraw/zinc/37/32/13/173373213.db2.gz IZUBXDJKZVEWGX-ZDUSSCGKSA-N 1 0 227.348 1.819 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc(OC)cc1OC ZINC000036161673 173373543 /nfs/dbraw/zinc/37/35/43/173373543.db2.gz YDTWQZBQIPBATD-GFCCVEGCSA-N 1 0 225.288 1.131 10 0 BDAERO C[NH2+]C[C@H](C)Sc1nnc2n1CCCCC2 ZINC000053614990 173375975 /nfs/dbraw/zinc/37/59/75/173375975.db2.gz OTQMYVQYESZVFQ-VIFPVBQESA-N 1 0 240.376 1.705 10 0 BDAERO C[NH2+]C[C@H](O)c1cc(Cl)ccc1OC ZINC000041228677 173376616 /nfs/dbraw/zinc/37/66/16/173376616.db2.gz LWNWEFRONLORNK-VIFPVBQESA-N 1 0 215.680 1.601 10 0 BDAERO C[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000011802967 173377029 /nfs/dbraw/zinc/37/70/29/173377029.db2.gz KPAYUBASUPCEGW-QMMMGPOBSA-N 1 0 203.644 1.732 10 0 BDAERO C[NH2+]C[C@H](O)CSc1cc(C)ccc1C ZINC000019686893 173377052 /nfs/dbraw/zinc/37/70/52/173377052.db2.gz HATFGPVKPHKIAT-NSHDSACASA-N 1 0 225.357 1.976 10 0 BDAERO C[NH2+]C[C@H](O)CSc1cc(C)ccc1OC ZINC000019686933 173377067 /nfs/dbraw/zinc/37/70/67/173377067.db2.gz AMQBDDPEICQDEC-JTQLQIEISA-N 1 0 241.356 1.676 10 0 BDAERO C[NH2+]C[C@H](c1ccc(OC)cc1OC)N(C)C ZINC000039795624 173377822 /nfs/dbraw/zinc/37/78/22/173377822.db2.gz FDOMFQUSYIZCEA-GFCCVEGCSA-N 1 0 238.331 1.526 10 0 BDAERO C[NH2+]C[C@H]1CN(Cc2ccccc2F)CCO1 ZINC000071548806 173382524 /nfs/dbraw/zinc/38/25/24/173382524.db2.gz ZYCYLSRIMWMONH-LBPRGKRZSA-N 1 0 238.306 1.246 10 0 BDAERO C[NH2+]C[C@H]1CC[C@H](Cn2ncc3ccccc32)O1 ZINC000052574205 173382558 /nfs/dbraw/zinc/38/25/58/173382558.db2.gz UHCCOVSHLPVRRC-CHWSQXEVSA-N 1 0 245.326 1.803 10 0 BDAERO C[NH2+]C[C@](C)(O)c1c(F)cccc1F ZINC000055032658 173383161 /nfs/dbraw/zinc/38/31/61/173383161.db2.gz UEPLHOMWSHTEQE-JTQLQIEISA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+]C[C@](C)(O)Cc1cccc(OC)c1 ZINC000019684508 173383315 /nfs/dbraw/zinc/38/33/15/173383315.db2.gz DJUMHONGUXNJIY-GFCCVEGCSA-N 1 0 209.289 1.208 10 0 BDAERO C[NH2+]C[C@H]1NCCc2ccc(Cl)cc21 ZINC000083667183 173383550 /nfs/dbraw/zinc/38/35/50/173383550.db2.gz LLVNDZZWUZGMRV-LLVKDONJSA-N 1 0 210.708 1.746 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1-n1cnc(C)c1C ZINC000051927432 173384304 /nfs/dbraw/zinc/38/43/04/173384304.db2.gz GYOSDYBYCHDMEJ-UHFFFAOYSA-N 1 0 233.319 1.250 10 0 BDAERO C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000026545905 173385180 /nfs/dbraw/zinc/38/51/80/173385180.db2.gz BAZLHIZHIKZWAU-UHFFFAOYSA-N 1 0 205.236 1.935 10 0 BDAERO C[NH2+]Cc1cc(CN2CCOC[C@@H]2C)c(C)o1 ZINC000052476079 173387053 /nfs/dbraw/zinc/38/70/53/173387053.db2.gz ADBGWDXYYSZWPW-JTQLQIEISA-N 1 0 238.331 1.528 10 0 BDAERO C[NH2+]Cc1cc2ccccc2nc1N(C)CCO ZINC000037899506 173387850 /nfs/dbraw/zinc/38/78/50/173387850.db2.gz VAIQTBCAOLBVEM-UHFFFAOYSA-N 1 0 245.326 1.383 10 0 BDAERO C[NH2+]Cc1ccc(-c2cnn(C)c2)cc1F ZINC000038073113 173387987 /nfs/dbraw/zinc/38/79/87/173387987.db2.gz UYNYQFYLSRSQRZ-UHFFFAOYSA-N 1 0 219.263 1.946 10 0 BDAERO C[NH2+]Cc1ccc(N2CCC[C@H]2C)nn1 ZINC000051398882 173388911 /nfs/dbraw/zinc/38/89/11/173388911.db2.gz DEZCHFXKZKERQB-SECBINFHSA-N 1 0 206.293 1.185 10 0 BDAERO C[NH2+]Cc1cccc(OCc2nnc(C)n2C)c1 ZINC000035696618 173389783 /nfs/dbraw/zinc/38/97/83/173389783.db2.gz CBNDJVBHXYHVKL-UHFFFAOYSA-N 1 0 246.314 1.422 10 0 BDAERO C[NH2+]Cc1cccc(O[C@@H](C)C(=O)NC2CC2)c1 ZINC000034815967 173389813 /nfs/dbraw/zinc/38/98/13/173389813.db2.gz DEGMPCFSTXTQEU-JTQLQIEISA-N 1 0 248.326 1.452 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000038003533 173389934 /nfs/dbraw/zinc/38/99/34/173389934.db2.gz LFVVNVFEWUHBIJ-UHFFFAOYSA-N 1 0 232.205 1.907 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)c1cnn(C)c1 ZINC000036280995 173390828 /nfs/dbraw/zinc/39/08/28/173390828.db2.gz YTQVDLJFWDWINI-UHFFFAOYSA-N 1 0 244.298 1.392 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCCSCC2)c1 ZINC000051520760 173391044 /nfs/dbraw/zinc/39/10/44/173391044.db2.gz VLSOPYNFQREGGX-UHFFFAOYSA-N 1 0 237.372 1.744 10 0 BDAERO C[NH2+]Cc1ccnc(-c2ccccc2OC)n1 ZINC000054791198 173391390 /nfs/dbraw/zinc/39/13/90/173391390.db2.gz PRJUYHFHHVKBDY-UHFFFAOYSA-N 1 0 229.283 1.872 10 0 BDAERO C[NH2+]Cc1ccnc(N(C)Cc2nccn2C)c1 ZINC000062324629 173391693 /nfs/dbraw/zinc/39/16/93/173391693.db2.gz KVJBVAXSZGETND-UHFFFAOYSA-N 1 0 245.330 1.171 10 0 BDAERO C[NH2+]Cc1ccoc1Cn1nc(C)cc1C ZINC000052575793 173391836 /nfs/dbraw/zinc/39/18/36/173391836.db2.gz WDVVHHBAXXCUFG-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+]Cc1cnc(-n2ccnc2C)c(Cl)c1 ZINC000051491138 173392437 /nfs/dbraw/zinc/39/24/37/173392437.db2.gz UDVRTSOSPPZVMF-UHFFFAOYSA-N 1 0 236.706 1.949 10 0 BDAERO C[NH2+]Cc1cnn(C[C@@H]2CCCCO2)c1 ZINC000054719173 173392915 /nfs/dbraw/zinc/39/29/15/173392915.db2.gz ZVZPFNUGYRQDEE-NSHDSACASA-N 1 0 209.293 1.172 10 0 BDAERO C[NH2+]Cc1cnn(-c2ccccc2OC)c1 ZINC000062605824 173393111 /nfs/dbraw/zinc/39/31/11/173393111.db2.gz SQHXIKCENWNNJO-UHFFFAOYSA-N 1 0 217.272 1.600 10 0 BDAERO C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000053294000 173394719 /nfs/dbraw/zinc/39/47/19/173394719.db2.gz QQNACKRYLOSZTG-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1nc(-c2ccc(O)cc2)no1 ZINC000021012758 173395600 /nfs/dbraw/zinc/39/56/00/173395600.db2.gz GDXSOJYVBJUZIK-UHFFFAOYSA-N 1 0 205.217 1.162 10 0 BDAERO C[NH2+]Cc1nnnn1-c1cccc(SC)c1 ZINC000054745300 173398327 /nfs/dbraw/zinc/39/83/27/173398327.db2.gz JLGKCLSJWQARDU-UHFFFAOYSA-N 1 0 235.316 1.104 10 0 BDAERO C[NH2+]Cc1nncn1CCCc1ccccc1 ZINC000098125209 173398660 /nfs/dbraw/zinc/39/86/60/173398660.db2.gz KEAVLAUHNKPMQX-UHFFFAOYSA-N 1 0 230.315 1.630 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H](C)Cc1ccc(F)cc1 ZINC000062081077 173398845 /nfs/dbraw/zinc/39/88/45/173398845.db2.gz FDCDTOLSNUCSPY-VIFPVBQESA-N 1 0 249.293 1.335 10 0 BDAERO C[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1CCCO1 ZINC000035495864 173428732 /nfs/dbraw/zinc/42/87/32/173428732.db2.gz UJRUODJIHGLHPM-JSGCOSHPSA-N 1 0 246.310 1.621 10 0 BDAERO C[NH2+][C@H](C)c1ccccc1OCC(=O)NC1CC1 ZINC000034820699 173449355 /nfs/dbraw/zinc/44/93/55/173449355.db2.gz AQDYPECWTUJDIB-SNVBAGLBSA-N 1 0 248.326 1.624 10 0 BDAERO C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000055237434 173452613 /nfs/dbraw/zinc/45/26/13/173452613.db2.gz UIOQGSCYTQNSSF-SNVBAGLBSA-N 1 0 201.216 1.872 10 0 BDAERO C[NH2+][C@H]([C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000043300366 173455444 /nfs/dbraw/zinc/45/54/44/173455444.db2.gz AUROXNXJPBJOGU-RKDXNWHRSA-N 1 0 219.350 1.055 10 0 BDAERO CC(C)c1cc(NC(=O)C[C@H]([NH3+])C(C)C)n[nH]1 ZINC000228340338 487627099 /nfs/dbraw/zinc/62/70/99/487627099.db2.gz CXLQAHNQRONYIN-VIFPVBQESA-N 1 0 238.335 1.845 10 0 BDAERO COC(=O)[C@H](C)Oc1cc(C)ccc1[C@H](C)[NH3+] ZINC000104327709 173788452 /nfs/dbraw/zinc/78/84/52/173788452.db2.gz LJDAIWXJEJBTOJ-UWVGGRQHSA-N 1 0 237.299 1.955 10 0 BDAERO COC(=O)c1ccc(CC(C)(C)[NH3+])cc1 ZINC000059143708 173872430 /nfs/dbraw/zinc/87/24/30/173872430.db2.gz TWKJZGQDDAFFMF-UHFFFAOYSA-N 1 0 207.273 1.753 10 0 BDAERO COC(=O)c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000044135376 173897068 /nfs/dbraw/zinc/89/70/68/173897068.db2.gz XZRHSWHHASZAOL-LLVKDONJSA-N 1 0 205.257 1.550 10 0 BDAERO COC1CC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC000336764516 174017176 /nfs/dbraw/zinc/01/71/76/174017176.db2.gz NIRVDCKDNKTGEL-ITSCGTHASA-N 1 0 227.348 1.957 10 0 BDAERO COC1CC[NH+](C[C@@](C)([NH3+])C2CC2)CC1 ZINC000037479232 174028175 /nfs/dbraw/zinc/02/81/75/174028175.db2.gz WLQZTSPLIZPZAX-GFCCVEGCSA-N 1 0 212.337 1.225 10 0 BDAERO COC1CCN([C@H]2CCCC[NH2+]C2)CC1 ZINC000054135025 174030751 /nfs/dbraw/zinc/03/07/51/174030751.db2.gz PNGYBMOCBBCHEQ-NSHDSACASA-N 1 0 212.337 1.239 10 0 BDAERO COCCCN(C)[C@@H](C[NH3+])c1ccccc1C ZINC000062029534 174219659 /nfs/dbraw/zinc/21/96/59/174219659.db2.gz UEMXJLIKPUNNBC-AWEZNQCLSA-N 1 0 236.359 1.963 10 0 BDAERO COCCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116317429 174232902 /nfs/dbraw/zinc/23/29/02/174232902.db2.gz NYYXBOUWQZOZJD-NSHDSACASA-N 1 0 223.320 1.246 10 0 BDAERO COCCC[NH2+]CC[C@@H](O)c1ccccc1 ZINC000049819420 174246719 /nfs/dbraw/zinc/24/67/19/174246719.db2.gz WUUPBTHJOLFRBI-CYBMUJFWSA-N 1 0 223.316 1.736 10 0 BDAERO COCCC[NH2+]C[C@H](C)OC[C@@H]1CCCCO1 ZINC000053555254 174247217 /nfs/dbraw/zinc/24/72/17/174247217.db2.gz FISHKWXUPGQEDN-STQMWFEESA-N 1 0 245.363 1.587 10 0 BDAERO COCCCOc1ccc(C(N)=[NH2+])cc1OC ZINC000037753873 174257068 /nfs/dbraw/zinc/25/70/68/174257068.db2.gz UICGRIADNYGUBV-UHFFFAOYSA-N 1 0 238.287 1.395 10 0 BDAERO COCCC[C@@]1(C[NH2+]CCOC)CCCOC1 ZINC000062229827 174262286 /nfs/dbraw/zinc/26/22/86/174262286.db2.gz OGTZRROZXQDYLW-ZDUSSCGKSA-N 1 0 245.363 1.446 10 0 BDAERO COCCCn1nccc1C[NH2+][C@H]1C[C@H]1C ZINC000282651282 174267706 /nfs/dbraw/zinc/26/77/06/174267706.db2.gz MAEIYNZVMNWVLM-PWSUYJOCSA-N 1 0 223.320 1.418 10 0 BDAERO COCCN(C)c1ccnc(C[NH2+]C2CC2)c1 ZINC000051519562 174284293 /nfs/dbraw/zinc/28/42/93/174284293.db2.gz BVYFZJFUHLRGKA-UHFFFAOYSA-N 1 0 235.331 1.416 10 0 BDAERO COCCN(CC[NH3+])Cc1ccc(F)cc1 ZINC000032015201 174292209 /nfs/dbraw/zinc/29/22/09/174292209.db2.gz UOKFYCJJNPGVSN-UHFFFAOYSA-N 1 0 226.295 1.233 10 0 BDAERO COCCN(c1ccc(N)cn1)[C@H](C)C1CC1 ZINC000042614683 174302316 /nfs/dbraw/zinc/30/23/16/174302316.db2.gz HBHUXPKVMSPRBQ-SNVBAGLBSA-N 1 0 235.331 1.915 10 0 BDAERO COCCNC(=O)C[NH2+][C@H](C)C1CCCCC1 ZINC000052336943 174321715 /nfs/dbraw/zinc/32/17/15/174321715.db2.gz WBRBZOLPUBRYPN-LLVKDONJSA-N 1 0 242.363 1.307 10 0 BDAERO COCCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037255308 174326330 /nfs/dbraw/zinc/32/63/30/174326330.db2.gz VAAOKLPLWRMNRV-SRVKXCTJSA-N 1 0 242.363 1.306 10 0 BDAERO COCC[NH2+]CCc1ccc(NC(C)=O)cc1 ZINC000071444041 174332984 /nfs/dbraw/zinc/33/29/84/174332984.db2.gz GGIZWIURPXXRJL-UHFFFAOYSA-N 1 0 236.315 1.424 10 0 BDAERO COCC[NH2+]Cc1cnc(-c2cccc(C)n2)[nH]1 ZINC000104162409 174334501 /nfs/dbraw/zinc/33/45/01/174334501.db2.gz HPUIZRMGPKOTNG-UHFFFAOYSA-N 1 0 246.314 1.516 10 0 BDAERO COCC[NH2+]Cc1ccc(-n2cccn2)c(F)c1 ZINC000057394725 174335423 /nfs/dbraw/zinc/33/54/23/174335423.db2.gz MIGXGLMRJUQCPD-UHFFFAOYSA-N 1 0 249.289 1.747 10 0 BDAERO COCCOCCCOc1cccc(C[NH3+])c1 ZINC000037050931 174350720 /nfs/dbraw/zinc/35/07/20/174350720.db2.gz PMTSYAGYUAAHHP-UHFFFAOYSA-N 1 0 239.315 1.577 10 0 BDAERO COCCO[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043099385 174365473 /nfs/dbraw/zinc/36/54/73/174365473.db2.gz WIBXACUWZCMOQR-ZWNOBZJWSA-N 1 0 239.315 1.747 10 0 BDAERO COCCOc1ccc(C(=O)[C@H](C)[NH3+])cc1 ZINC000071524925 174367482 /nfs/dbraw/zinc/36/74/82/174367482.db2.gz RUTFZDFGMPYVKS-VIFPVBQESA-N 1 0 223.272 1.242 10 0 BDAERO COCCn1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000041726535 174428204 /nfs/dbraw/zinc/42/82/04/174428204.db2.gz RQXFXCJDKQRSIL-LLVKDONJSA-N 1 0 208.305 1.779 10 0 BDAERO COC[C@H](C)N(C)c1ccc(F)cc1C(N)=[NH2+] ZINC000104244639 174538679 /nfs/dbraw/zinc/53/86/79/174538679.db2.gz YBBZMBFATFWDFN-QMMMGPOBSA-N 1 0 239.294 1.581 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC1(C)C ZINC000225811255 487628590 /nfs/dbraw/zinc/62/85/90/487628590.db2.gz ZOCHKBTVIFWYNW-VHSXEESVSA-N 1 0 212.337 1.522 10 0 BDAERO COC[C@H](CC(C)C)[NH2+][C@@H]1CCO[C@H]1C ZINC000336762009 174561275 /nfs/dbraw/zinc/56/12/75/174561275.db2.gz NJBXRWDBKZWRJT-SDDRHHMPSA-N 1 0 215.337 1.815 10 0 BDAERO CO[C@@H]1C[NH2+][C@@H](CN(C)C2CCCC2)C1 ZINC000040637462 174770796 /nfs/dbraw/zinc/77/07/96/174770796.db2.gz AKUALAGBOZGRMB-PWSUYJOCSA-N 1 0 212.337 1.238 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)C1CCOCC1 ZINC000225812472 487629496 /nfs/dbraw/zinc/62/94/96/487629496.db2.gz DIZLJANMQFRYPT-ZYHUDNBSSA-N 1 0 242.363 1.291 10 0 BDAERO COc1cc(OC)cc([C@H]([NH3+])Cc2ncc[nH]2)c1 ZINC000036946819 175011190 /nfs/dbraw/zinc/01/11/90/175011190.db2.gz AJIIMJKSUJQUEN-GFCCVEGCSA-N 1 0 247.298 1.669 10 0 BDAERO COc1cc([C@@H](O)CC[NH3+])cc(OC)c1OC ZINC000087347456 175014090 /nfs/dbraw/zinc/01/40/90/175014090.db2.gz IGEKNGOSFRKULQ-VIFPVBQESA-N 1 0 241.287 1.095 10 0 BDAERO COc1cc([C@H](C)O)ccc1OCC[NH+](C)C ZINC000035626687 175016046 /nfs/dbraw/zinc/01/60/46/175016046.db2.gz DIWHZFMVXOGDGP-JTQLQIEISA-N 1 0 239.315 1.689 10 0 BDAERO COc1ccc(-c2[nH+]c(N)[nH]c2C)cc1 ZINC000082531875 175040172 /nfs/dbraw/zinc/04/01/72/175040172.db2.gz GWYNVDAUFYRDML-UHFFFAOYSA-N 1 0 203.245 1.976 10 0 BDAERO COc1ccc(C(=O)C[NH2+]C(C)C)cc1OC ZINC000033639812 175053896 /nfs/dbraw/zinc/05/38/96/175053896.db2.gz DUXSNRBHZNPBPX-UHFFFAOYSA-N 1 0 237.299 1.885 10 0 BDAERO COc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170863708 175057789 /nfs/dbraw/zinc/05/77/89/175057789.db2.gz FSRLWVMKSDOEDG-LBPRGKRZSA-N 1 0 248.326 1.471 10 0 BDAERO COc1ccc(C)cc1C(=O)N1CC[NH2+]CC1 ZINC000052943279 175072894 /nfs/dbraw/zinc/07/28/94/175072894.db2.gz HHBSLNMUIPVHLY-UHFFFAOYSA-N 1 0 234.299 1.049 10 0 BDAERO COc1ccc(C)cc1C(=O)NC(C)(C)C[NH3+] ZINC000063020120 175072965 /nfs/dbraw/zinc/07/29/65/175072965.db2.gz PIYHRIXKCGYABV-UHFFFAOYSA-N 1 0 236.315 1.471 10 0 BDAERO COc1ccc(C)cc1C(=O)CCC[NH3+] ZINC000074367612 175073025 /nfs/dbraw/zinc/07/30/25/175073025.db2.gz AAWOUBSQSBRTTP-UHFFFAOYSA-N 1 0 207.273 1.925 10 0 BDAERO COc1ccc(C)cc1N(C)C[C@@H](O)CC[NH3+] ZINC000077384012 175076646 /nfs/dbraw/zinc/07/66/46/175076646.db2.gz CDYHICNOSDLTFF-NSHDSACASA-N 1 0 238.331 1.150 10 0 BDAERO COc1ccc(C)cc1SC[C@@H](O)CC[NH3+] ZINC000019687088 175079181 /nfs/dbraw/zinc/07/91/81/175079181.db2.gz KHZXMUCHIMOKMD-JTQLQIEISA-N 1 0 241.356 1.805 10 0 BDAERO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000002545018 175084704 /nfs/dbraw/zinc/08/47/04/175084704.db2.gz GSUGYWJBKQWWQT-ONXXMXGDSA-N 1 0 233.311 1.797 10 0 BDAERO COc1ccc(C=O)c(OCCC[NH+](C)C)c1 ZINC000011801209 175086134 /nfs/dbraw/zinc/08/61/34/175086134.db2.gz JPQXNHXFDYHARQ-UHFFFAOYSA-N 1 0 237.299 1.838 10 0 BDAERO COc1ccc(CC[NH2+][C@@H](C)CO)cc1C ZINC000098124830 175091331 /nfs/dbraw/zinc/09/13/31/175091331.db2.gz WGPPBKOETFDBQR-NSHDSACASA-N 1 0 223.316 1.517 10 0 BDAERO COc1ccc(CC[NH2+][C@@H](C)CO)c(Cl)c1 ZINC000098126747 175092034 /nfs/dbraw/zinc/09/20/34/175092034.db2.gz KDZBJXKZNVBWSN-VIFPVBQESA-N 1 0 243.734 1.862 10 0 BDAERO COc1ccc(C[NH3+])cc1O[C@@H]1CCOC1 ZINC000069606822 175097004 /nfs/dbraw/zinc/09/70/04/175097004.db2.gz LKOIQWHLORIJEI-SNVBAGLBSA-N 1 0 223.272 1.322 10 0 BDAERO COc1ccc(Cl)cc1[C@@H]([NH3+])CO ZINC000041210921 175122190 /nfs/dbraw/zinc/12/21/90/175122190.db2.gz QURGNXDDBWLYOV-QMMMGPOBSA-N 1 0 201.653 1.341 10 0 BDAERO COc1ccc(C[C@@H]([NH3+])[C@H]2CCOC2)cc1 ZINC000048627533 175115629 /nfs/dbraw/zinc/11/56/29/175115629.db2.gz SOEYODRPVBQSDW-WCQYABFASA-N 1 0 221.300 1.602 10 0 BDAERO COc1ccc(C[C@H]([NH3+])c2cnccn2)cc1F ZINC000053819325 175117280 /nfs/dbraw/zinc/11/72/80/175117280.db2.gz SFDNSBASVATWBT-NSHDSACASA-N 1 0 247.273 1.867 10 0 BDAERO COc1ccc(Cl)c(NC(=O)[C@@H](C)C[NH3+])c1 ZINC000054345364 175118971 /nfs/dbraw/zinc/11/89/71/175118971.db2.gz DCKYASLJRWHSJJ-ZETCQYMHSA-N 1 0 242.706 1.882 10 0 BDAERO COc1ccc(Cl)cc1COC(=O)CC[NH3+] ZINC000049831546 175120384 /nfs/dbraw/zinc/12/03/84/175120384.db2.gz XVFMSZMFWLMZBQ-UHFFFAOYSA-N 1 0 243.690 1.741 10 0 BDAERO COc1ccc(Cl)cc1[C@H]([NH3+])CCO ZINC000071519488 175123236 /nfs/dbraw/zinc/12/32/36/175123236.db2.gz IISZDTLKLXOCDP-SECBINFHSA-N 1 0 215.680 1.731 10 0 BDAERO COc1ccc(F)cc1C1([NH3+])CCOCC1 ZINC000071532057 175128784 /nfs/dbraw/zinc/12/87/84/175128784.db2.gz UQGRURKELHKJRF-UHFFFAOYSA-N 1 0 225.263 1.799 10 0 BDAERO COc1ccc(N)c(NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000063209706 175137368 /nfs/dbraw/zinc/13/73/68/175137368.db2.gz NNEOJZGXIKMIGP-SECBINFHSA-N 1 0 249.314 1.168 10 0 BDAERO CCCN1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324569763 487629913 /nfs/dbraw/zinc/62/99/13/487629913.db2.gz WFWJHUVCBHXBMB-NEPJUHHUSA-N 1 0 228.380 1.467 10 0 BDAERO COc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cn1 ZINC000019410703 175146402 /nfs/dbraw/zinc/14/64/02/175146402.db2.gz UBEBEJAFPNFVBB-VIFPVBQESA-N 1 0 235.287 1.028 10 0 BDAERO COc1ccc(NC(C)=O)cc1CCCC[NH3+] ZINC000098126151 175148903 /nfs/dbraw/zinc/14/89/03/175148903.db2.gz UUDKDGFVHRMUMW-UHFFFAOYSA-N 1 0 236.315 1.935 10 0 BDAERO COc1ccc(OC(=O)NCCC[NH3+])cc1 ZINC000025968215 175162764 /nfs/dbraw/zinc/16/27/64/175162764.db2.gz YHDJGDQMJYBVPW-UHFFFAOYSA-N 1 0 224.260 1.132 10 0 BDAERO COc1ccc(OC)c(-c2cnc(CC[NH3+])o2)c1 ZINC000011587021 175163820 /nfs/dbraw/zinc/16/38/20/175163820.db2.gz GDPPILZZZPTEHT-UHFFFAOYSA-N 1 0 248.282 1.860 10 0 BDAERO COc1ccc(OC)c([C@H]2C[NH2+]C[C@@H](C)O2)c1 ZINC000033466020 175168599 /nfs/dbraw/zinc/16/85/99/175168599.db2.gz XMFRDGPHYIGFIM-NOZJJQNGSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc(OC)c2c1C[C@@H]1[C@@H]([NH3+])[C@H]21 ZINC000029221684 175170720 /nfs/dbraw/zinc/17/07/20/175170720.db2.gz JZCLEJOFDDWFDL-CQFDHEJISA-N 1 0 205.257 1.301 10 0 BDAERO COc1ccc(OC)c2c1[C@@H]1C[C@@H]([NH3+])[C@H]2O1 ZINC000058482508 175171256 /nfs/dbraw/zinc/17/12/56/175171256.db2.gz RHPOKPZQQSMKKC-PUQNFTFYSA-N 1 0 221.256 1.547 10 0 BDAERO COc1ccc(OCCOCC(C)(C)[NH3+])cc1 ZINC000074526371 175172874 /nfs/dbraw/zinc/17/28/74/175172874.db2.gz HHXLQTXACRWRCB-UHFFFAOYSA-N 1 0 239.315 1.828 10 0 BDAERO COc1ccc([C@@H](C[NH3+])n2nc(C)nc2C)cc1 ZINC000042962417 175178375 /nfs/dbraw/zinc/17/83/75/175178375.db2.gz RTQPXCYPIJQUAX-CYBMUJFWSA-N 1 0 246.314 1.452 10 0 BDAERO COc1ccc([C@@H](N)CC[NH+](C)C)cc1OC ZINC000020274084 175178875 /nfs/dbraw/zinc/17/88/75/175178875.db2.gz LHMQBVLUICCJTL-NSHDSACASA-N 1 0 238.331 1.655 10 0 BDAERO COc1ccc([C@@H](O)C(C)(C)[NH3+])c(OC)c1 ZINC000019684277 175180701 /nfs/dbraw/zinc/18/07/01/175180701.db2.gz INWSNJYXSQJVMG-LLVKDONJSA-N 1 0 225.288 1.475 10 0 BDAERO COc1ccc([C@@H]2OCC[NH2+][C@H]2C)cc1 ZINC000037405083 175186386 /nfs/dbraw/zinc/18/63/86/175186386.db2.gz BHRUEGUXZCYUBO-JOYOIKCWSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@H]([NH3+])CO)cc1OC(F)F ZINC000038124660 175191746 /nfs/dbraw/zinc/19/17/46/175191746.db2.gz SVBNYQIBDRNVGC-SSDOTTSWSA-N 1 0 233.214 1.289 10 0 BDAERO COc1ccc([C@H]([NH3+])CCO)c(OC)c1 ZINC000019784061 175192080 /nfs/dbraw/zinc/19/20/80/175192080.db2.gz RNKAGOYJCGTSSR-SNVBAGLBSA-N 1 0 211.261 1.086 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@H]2COCCO2)cc1 ZINC000055298582 175192672 /nfs/dbraw/zinc/19/26/72/175192672.db2.gz ASJNZWNVEQXIEZ-NEPJUHHUSA-N 1 0 223.272 1.110 10 0 BDAERO COc1ccc([C@H](O)CC[NH3+])c(OC)c1 ZINC000036158768 175193058 /nfs/dbraw/zinc/19/30/58/175193058.db2.gz AFPFWXCRBUXPNG-SNVBAGLBSA-N 1 0 211.261 1.086 10 0 BDAERO COc1ccc([C@H](O)C[NH+]2CCCC2)cc1 ZINC000019784880 175193177 /nfs/dbraw/zinc/19/31/77/175193177.db2.gz IQVCHCCRGAXJLA-CYBMUJFWSA-N 1 0 221.300 1.824 10 0 BDAERO COc1ccc([C@H]2NC(=O)CC[C@@H]2[NH3+])cc1F ZINC000076684432 175198140 /nfs/dbraw/zinc/19/81/40/175198140.db2.gz ZXHLTXCQKZQFBR-JOYOIKCWSA-N 1 0 238.262 1.113 10 0 BDAERO COc1ccc([C@H]2[C@@H]([NH3+])CCN2C)cc1F ZINC000076673665 175198597 /nfs/dbraw/zinc/19/85/97/175198597.db2.gz PNDWONSAPRNHSQ-JQWIXIFHSA-N 1 0 224.279 1.538 10 0 BDAERO COc1ccc([C@](C)(O)C[NH2+]C(C)C)cc1 ZINC000032014573 175199696 /nfs/dbraw/zinc/19/96/96/175199696.db2.gz QQRMIOSYMSCQFA-CYBMUJFWSA-N 1 0 223.316 1.901 10 0 BDAERO COc1ccc([C@]2(C)OC[C@@H](C[NH3+])O2)cc1F ZINC000049830458 175200400 /nfs/dbraw/zinc/20/04/00/175200400.db2.gz YXKFTWOLYVIKBP-BXKDBHETSA-N 1 0 241.262 1.381 10 0 BDAERO COc1ccc2[nH]cc([C@H](O)[C@H]3CCC[NH2+]3)c2c1 ZINC000041297533 175202919 /nfs/dbraw/zinc/20/29/19/175202919.db2.gz ADOBIKSMUNLRNC-KGLIPLIRSA-N 1 0 246.310 1.962 10 0 BDAERO COc1ccc2c(c1)CC[C@H](n1cncn1)[C@@H]2[NH3+] ZINC000019387240 175209961 /nfs/dbraw/zinc/20/99/61/175209961.db2.gz KHTXMAXOISOTLI-QWHCGFSZSA-N 1 0 244.298 1.474 10 0 BDAERO COc1ccc2c(c1)CC[C@H]([NH+](C)C)[C@@H]2N ZINC000019271425 175210145 /nfs/dbraw/zinc/21/01/45/175210145.db2.gz UWXZZKVMPZWKOL-QWHCGFSZSA-N 1 0 220.316 1.571 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])CC[S@]2=O ZINC000040975688 175214101 /nfs/dbraw/zinc/21/41/01/175214101.db2.gz JVZIPCQTAZJMBH-XPTSAGLGSA-N 1 0 211.286 1.206 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](C)CS2(=O)=O ZINC000035755740 175214204 /nfs/dbraw/zinc/21/42/04/175214204.db2.gz BWPLOEXCSADIBN-HQJQHLMTSA-N 1 0 241.312 1.118 10 0 BDAERO COc1ccc2c(c1)[C@H](NCC[NH3+])CCO2 ZINC000037713008 175216182 /nfs/dbraw/zinc/21/61/82/175216182.db2.gz DCOULJWERZEDKF-LLVKDONJSA-N 1 0 222.288 1.067 10 0 BDAERO COc1cccc(-c2nnc(CC[NH3+])s2)c1 ZINC000057525710 175237191 /nfs/dbraw/zinc/23/71/91/175237191.db2.gz KYQUZAWDASVUBE-UHFFFAOYSA-N 1 0 235.312 1.715 10 0 BDAERO COc1cccc(C(=O)[C@H]2CC[NH2+]C2)c1 ZINC000082379662 175246903 /nfs/dbraw/zinc/24/69/03/175246903.db2.gz QOVKBXMIFCSVHZ-JTQLQIEISA-N 1 0 205.257 1.487 10 0 BDAERO COc1cccc(CCN2CC[NH2+]C[C@H](C)C2)c1 ZINC000071563481 175251532 /nfs/dbraw/zinc/25/15/32/175251532.db2.gz REQYPKWLBHWGKL-ZDUSSCGKSA-N 1 0 248.370 1.779 10 0 BDAERO COc1cccc(C[NH2+]CC(OC)OC)c1 ZINC000037388247 175263705 /nfs/dbraw/zinc/26/37/05/175263705.db2.gz FNJMAOQJBCDAEM-UHFFFAOYSA-N 1 0 225.288 1.404 10 0 BDAERO COc1cccc(C[NH2+][C@H]2CCO[C@H]2C)n1 ZINC000121010844 175267557 /nfs/dbraw/zinc/26/75/57/175267557.db2.gz ZGQFNZRSKAMPRY-ONGXEEELSA-N 1 0 222.288 1.357 10 0 BDAERO COc1cccc(C[C@H](O)C2CC[NH2+]CC2)c1 ZINC000041266097 175272473 /nfs/dbraw/zinc/27/24/73/175272473.db2.gz ZLDRWDRPTCOQDB-AWEZNQCLSA-N 1 0 235.327 1.598 10 0 BDAERO COc1cccc(N(C)C(=O)[C@@H](C)[NH3+])c1 ZINC000049972352 175275155 /nfs/dbraw/zinc/27/51/55/175275155.db2.gz XSOFINXVPGZLFO-MRVPVSSYSA-N 1 0 208.261 1.005 10 0 BDAERO COc1cccc(N(C)CCCC[NH3+])c1 ZINC000049814331 175275362 /nfs/dbraw/zinc/27/53/62/175275362.db2.gz KRMOHVLNICUYCO-UHFFFAOYSA-N 1 0 208.305 1.870 10 0 BDAERO COc1cccc(SC[C@H](O)C[NH3+])c1 ZINC000019865161 175285492 /nfs/dbraw/zinc/28/54/92/175285492.db2.gz FDUYWRJZCOSGNP-MRVPVSSYSA-N 1 0 213.302 1.107 10 0 BDAERO COc1cccc([C@@H](N)C[NH3+])c1Cl ZINC000044472549 175288610 /nfs/dbraw/zinc/28/86/10/175288610.db2.gz MFRDCIXXMZNTMC-ZETCQYMHSA-N 1 0 200.669 1.307 10 0 BDAERO COc1cccc([C@@H]([NH3+])c2cnn(C)c2)c1OC ZINC000041656165 175288620 /nfs/dbraw/zinc/28/86/20/175288620.db2.gz VDQUOAAVXNVPTG-LBPRGKRZSA-N 1 0 247.298 1.485 10 0 BDAERO COc1cccc([C@@H]([NH3+])Cc2ncc[nH]2)c1 ZINC000034977378 175289203 /nfs/dbraw/zinc/28/92/03/175289203.db2.gz SSDBHRDKFAXLLC-NSHDSACASA-N 1 0 217.272 1.661 10 0 BDAERO COc1cccc([C@@H]2C[NH2+]CCOC2)c1 ZINC000071510367 175290492 /nfs/dbraw/zinc/29/04/92/175290492.db2.gz OVOBCKOQQGBCST-LLVKDONJSA-N 1 0 207.273 1.399 10 0 BDAERO COc1cccc([C@@](C)([NH3+])Cc2cnn(C)c2)c1 ZINC000050541703 175291670 /nfs/dbraw/zinc/29/16/70/175291670.db2.gz BJYFUSKJBFQJIQ-AWEZNQCLSA-N 1 0 245.326 1.845 10 0 BDAERO COc1cccc([C@@](O)([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784489 175292023 /nfs/dbraw/zinc/29/20/23/175292023.db2.gz FYHDDOJBBLPKOM-XVKPBYJWSA-N 1 0 249.232 1.792 10 0 BDAERO COc1cccc([C@H]([NH3+])Cn2ccnc2)c1 ZINC000038827605 175294060 /nfs/dbraw/zinc/29/40/60/175294060.db2.gz UWTZXZMMVPLVJV-GFCCVEGCSA-N 1 0 217.272 1.592 10 0 BDAERO COc1cccc([C@H](O)[C@@H]2CCC[NH2+]C2)c1 ZINC000041237655 175294657 /nfs/dbraw/zinc/29/46/57/175294657.db2.gz XTLARVBEZDSNIR-YPMHNXCESA-N 1 0 221.300 1.728 10 0 BDAERO COc1cccc([C@H]([NH3+])[C@@H](C)S(C)(=O)=O)c1 ZINC000075429473 175295022 /nfs/dbraw/zinc/29/50/22/175295022.db2.gz YFJYDLNIGUCVTJ-LDYMZIIASA-N 1 0 243.328 1.128 10 0 BDAERO COc1cccc([C@](C)(O)[C@H]2CCC[NH2+]C2)c1 ZINC000071545747 175296859 /nfs/dbraw/zinc/29/68/59/175296859.db2.gz YPZVOSGOKDDYAF-JSGCOSHPSA-N 1 0 235.327 1.902 10 0 BDAERO COc1cccc([S@](=O)C2CC[NH2+]CC2)c1 ZINC000083294959 175297402 /nfs/dbraw/zinc/29/74/02/175297402.db2.gz MFFCZLUUAOBUQY-INIZCTEOSA-N 1 0 239.340 1.555 10 0 BDAERO COc1cccc([S@](=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000083294994 175297672 /nfs/dbraw/zinc/29/76/72/175297672.db2.gz YGHSGPUHTDKQKU-HWPZZCPQSA-N 1 0 239.340 1.412 10 0 BDAERO COc1cccc2c(C(=O)CC[NH3+])c[nH]c21 ZINC000074084307 175298226 /nfs/dbraw/zinc/29/82/26/175298226.db2.gz VZAFVRFMAFEWEC-UHFFFAOYSA-N 1 0 218.256 1.708 10 0 BDAERO COc1cccc2[nH]cc([C@H]3C[C@@H]3[NH3+])c21 ZINC000013782223 175298459 /nfs/dbraw/zinc/29/84/59/175298459.db2.gz SVXXIYYEEVIKRL-APPZFPTMSA-N 1 0 202.257 1.991 10 0 BDAERO COc1cccc2c1ccnc2NCC[NH3+] ZINC000082766050 175299970 /nfs/dbraw/zinc/29/99/70/175299970.db2.gz GGBKXBYWYASBKQ-UHFFFAOYSA-N 1 0 217.272 1.614 10 0 BDAERO COc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1CO2 ZINC000034549656 175305586 /nfs/dbraw/zinc/30/55/86/175305586.db2.gz VQZSNRLFRABFJF-RKDXNWHRSA-N 1 0 205.257 1.391 10 0 BDAERO COc1ccccc1CC[C@@H]1COCC[NH2+]1 ZINC000071522912 175323613 /nfs/dbraw/zinc/32/36/13/175323613.db2.gz MVQZQJGIEHYGQY-GFCCVEGCSA-N 1 0 221.300 1.616 10 0 BDAERO COc1ccccc1C[C@@H]([NH3+])CN(C)C ZINC000071511244 175332698 /nfs/dbraw/zinc/33/26/98/175332698.db2.gz AVIDOSCHSPPFLR-LLVKDONJSA-N 1 0 208.305 1.127 10 0 BDAERO COc1ccccc1C[C@@]1(O)CC[N@@H+](C2CC2)C1 ZINC000061988059 175332989 /nfs/dbraw/zinc/33/29/89/175332989.db2.gz IJJLOAQHIGTBEM-HNNXBMFYSA-N 1 0 247.338 1.837 10 0 BDAERO COc1ccccc1C[C@@H]([NH3+])[C@@H]1CCOC1 ZINC000048627568 175333165 /nfs/dbraw/zinc/33/31/65/175333165.db2.gz YXDNEVXTSXVVRP-VXGBXAGGSA-N 1 0 221.300 1.602 10 0 BDAERO COc1ccccc1N(C)[C@@]1(C[NH3+])CCOC1 ZINC000104073263 175335896 /nfs/dbraw/zinc/33/58/96/175335896.db2.gz GJENHYAGSJUYCL-CYBMUJFWSA-N 1 0 236.315 1.249 10 0 BDAERO COc1ccccc1[C@@H](O)C[NH+]1CCCC1 ZINC000019784875 175347330 /nfs/dbraw/zinc/34/73/30/175347330.db2.gz GERCNBJIKJSWLK-LBPRGKRZSA-N 1 0 221.300 1.824 10 0 BDAERO COc1ccccc1[C@H](C[NH3+])n1cc(C)cn1 ZINC000043098760 175353136 /nfs/dbraw/zinc/35/31/36/175353136.db2.gz BLTWLWHQMSBUJV-LBPRGKRZSA-N 1 0 231.299 1.748 10 0 BDAERO COc1ccccc1[C@H](O)[C@@H]1CCC[NH2+]1 ZINC000032011723 175354228 /nfs/dbraw/zinc/35/42/28/175354228.db2.gz JIPVTLLSVWMZRP-JQWIXIFHSA-N 1 0 207.273 1.481 10 0 BDAERO CC(C)C1(C[NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000232673502 487630472 /nfs/dbraw/zinc/63/04/72/487630472.db2.gz DAWNZECNKQTANQ-GFCCVEGCSA-N 1 0 226.364 1.343 10 0 BDAERO COc1cncc(N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000035904904 175386641 /nfs/dbraw/zinc/38/66/41/175386641.db2.gz UGDSYGHDYFSOJQ-ZDUSSCGKSA-N 1 0 233.315 1.423 10 0 BDAERO COc1nc(C)c(C[NH2+]CC2CC2)s1 ZINC000045205518 175389673 /nfs/dbraw/zinc/38/96/73/175389673.db2.gz WYWRQPKVHFGXMN-UHFFFAOYSA-N 1 0 212.318 1.960 10 0 BDAERO CSc1cccc(N2CC[C@@H]([NH3+])C2)c1 ZINC000037483355 175580248 /nfs/dbraw/zinc/58/02/48/175580248.db2.gz JPLUONWTITUMAZ-SECBINFHSA-N 1 0 208.330 1.946 10 0 BDAERO C[C@@H](CC[NH3+])Sc1nnc2n1CCCCC2 ZINC000041042955 175673679 /nfs/dbraw/zinc/67/36/79/175673679.db2.gz KSBRWGGZPOWUBT-VIFPVBQESA-N 1 0 240.376 1.834 10 0 BDAERO C[C@@H](C[NH3+])CN(C)C(=O)c1ccccc1F ZINC000042454916 175707098 /nfs/dbraw/zinc/70/70/98/175707098.db2.gz VLCLXPDFGNJDSO-VIFPVBQESA-N 1 0 224.279 1.493 10 0 BDAERO C[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000062188635 175773072 /nfs/dbraw/zinc/77/30/72/175773072.db2.gz AFWJMYLXINKNPN-GXTWGEPZSA-N 1 0 246.354 1.876 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCc2occc21 ZINC000040831855 175803212 /nfs/dbraw/zinc/80/32/12/175803212.db2.gz MWZAPKNYADWYHU-PSASIEDQSA-N 1 0 222.288 1.511 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1ccc(Br)cc1F ZINC000036985244 175809810 /nfs/dbraw/zinc/80/98/10/175809810.db2.gz QDKPUQQIAUSPPU-MLUIRONXSA-N 1 0 248.095 1.969 10 0 BDAERO C[C@@H](NC(=O)CC[NH3+])c1cccc(F)c1 ZINC000048592315 175830152 /nfs/dbraw/zinc/83/01/52/175830152.db2.gz XWOKSIAPERQNTJ-MRVPVSSYSA-N 1 0 210.252 1.352 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccccn1 ZINC000019946689 175917911 /nfs/dbraw/zinc/91/79/11/175917911.db2.gz XGOWPZZCTRSYKR-BXUZGUMPSA-N 1 0 231.343 1.826 10 0 BDAERO C[C@@H](OC[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068545 176003087 /nfs/dbraw/zinc/00/30/87/176003087.db2.gz MKCYGXDPGBRTNR-NXEZZACHSA-N 1 0 207.277 1.164 10 0 BDAERO C[C@@H](OC[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000095068499 176003399 /nfs/dbraw/zinc/00/33/99/176003399.db2.gz IPJSVNUXBPDTKM-NXEZZACHSA-N 1 0 207.277 1.306 10 0 BDAERO C[C@@H](OC[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068473 176003439 /nfs/dbraw/zinc/00/34/39/176003439.db2.gz QOAHLQTYHOZDIL-MNOVXSKESA-N 1 0 221.304 1.696 10 0 BDAERO C[C@@H](O[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095068433 176004216 /nfs/dbraw/zinc/00/42/16/176004216.db2.gz CCQPFPSXWJQXPF-BDAKNGLRSA-N 1 0 212.318 1.973 10 0 BDAERO C[C@@H](SCC[NH3+])C(=O)Nc1ccccc1 ZINC000020422321 176007920 /nfs/dbraw/zinc/00/79/20/176007920.db2.gz GFGCIPJAQQGLDO-SECBINFHSA-N 1 0 224.329 1.706 10 0 BDAERO C[C@@H]([C@H]([NH3+])c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000075429651 176011769 /nfs/dbraw/zinc/01/17/69/176011769.db2.gz PQFPUVTWQNGKTL-WKEGUHRASA-N 1 0 249.282 1.398 10 0 BDAERO C[C@@H](c1ccc(Cl)s1)[C@@H](O)C[NH3+] ZINC000041214468 176014403 /nfs/dbraw/zinc/01/44/03/176014403.db2.gz DOOGVMZNEVNBMG-RITPCOANSA-N 1 0 205.710 1.825 10 0 BDAERO C[C@@H](c1ccc(C[NH3+])cc1)N1C(=O)CCC1=O ZINC000037747986 176014565 /nfs/dbraw/zinc/01/45/65/176014565.db2.gz PLIWJIXHMGHXLZ-VIFPVBQESA-N 1 0 232.283 1.355 10 0 BDAERO C[C@@H](c1cccc(N)c1)[NH+]1CCN(C)CC1 ZINC000019730866 176018307 /nfs/dbraw/zinc/01/83/07/176018307.db2.gz CMHMMEFOGWIGIK-NSHDSACASA-N 1 0 219.332 1.577 10 0 BDAERO C[C@@H]([NH3+])c1nnnn1[C@@H](C)c1ccccc1 ZINC000062494607 176024000 /nfs/dbraw/zinc/02/40/00/176024000.db2.gz WRYAYBVAOMODGC-BDAKNGLRSA-N 1 0 217.276 1.302 10 0 BDAERO C[C@@H](c1ccccn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094267495 176028358 /nfs/dbraw/zinc/02/83/58/176028358.db2.gz QVYNFUOFQGFPSG-QWHCGFSZSA-N 1 0 231.343 1.923 10 0 BDAERO C[C@@H](c1cccnc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673114 176030162 /nfs/dbraw/zinc/03/01/62/176030162.db2.gz GIPPGNRCMNLCHR-JSGCOSHPSA-N 1 0 231.343 1.923 10 0 BDAERO C[C@@H](c1ccsc1)N1C[C@H]([NH3+])CC1=O ZINC000061366665 176036145 /nfs/dbraw/zinc/03/61/45/176036145.db2.gz GMOUFJTXORRXOV-IONNQARKSA-N 1 0 210.302 1.369 10 0 BDAERO C[C@@H]1CC(=O)N(c2cccc(F)c2C[NH3+])C1=O ZINC000038051800 176049165 /nfs/dbraw/zinc/04/91/65/176049165.db2.gz QAPQKAWCFSNADI-SSDOTTSWSA-N 1 0 236.246 1.184 10 0 BDAERO C[C@@H]1CC(=O)N(c2ccccc2C[NH3+])C1=O ZINC000038051795 176049544 /nfs/dbraw/zinc/04/95/44/176049544.db2.gz XCMPKQGRIYNIGV-MRVPVSSYSA-N 1 0 218.256 1.045 10 0 BDAERO C[C@@H]1CCCCN1c1ncc(C[NH3+])s1 ZINC000054864180 176074739 /nfs/dbraw/zinc/07/47/39/176074739.db2.gz AUPPOHIKTFICPE-MRVPVSSYSA-N 1 0 211.334 1.981 10 0 BDAERO C[C@@H]1CCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000037912217 176105454 /nfs/dbraw/zinc/10/54/54/176105454.db2.gz MEIKHQHVHOTBNU-MNOVXSKESA-N 1 0 210.321 1.530 10 0 BDAERO C[C@@H]1CCCN1C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000037910653 176109287 /nfs/dbraw/zinc/10/92/87/176109287.db2.gz CKNAXJYUUBZHAQ-PWSUYJOCSA-N 1 0 248.326 1.899 10 0 BDAERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)OC[C@@H]2CCOC2)C1 ZINC000049688382 176133691 /nfs/dbraw/zinc/13/36/91/176133691.db2.gz HUALMHHHIRIPFA-WZRBSPASSA-N 1 0 241.331 1.474 10 0 BDAERO C[C@@H]1CCC[C@H](CNC(=O)NC(C)(C)C)[NH2+]1 ZINC000051573965 176138801 /nfs/dbraw/zinc/13/88/01/176138801.db2.gz WINYVSWJPKOLLY-NXEZZACHSA-N 1 0 227.352 1.615 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC000049304795 176143101 /nfs/dbraw/zinc/14/31/01/176143101.db2.gz DPQNORUYIDJLHI-MNOVXSKESA-N 1 0 224.348 1.776 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291133 176155154 /nfs/dbraw/zinc/15/51/54/176155154.db2.gz NURCWVDQBSRRNY-MNOVXSKESA-N 1 0 210.321 1.245 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(N)cc2)C1 ZINC000051324316 176171946 /nfs/dbraw/zinc/17/19/46/176171946.db2.gz KLIJRUHPAWULDJ-MFKMUULPSA-N 1 0 220.316 1.644 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@]2(CN)CCCSC2)C1 ZINC000061590107 176180575 /nfs/dbraw/zinc/18/05/75/176180575.db2.gz INDASXXLYRBKRF-MNOVXSKESA-N 1 0 214.378 1.553 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@H](CN)Cc2ccccc2)C1 ZINC000040717605 176180918 /nfs/dbraw/zinc/18/09/18/176180918.db2.gz KMVNNMKGQNGDMT-OCCSQVGLSA-N 1 0 218.344 1.898 10 0 BDAERO C[C@@H]1CCN(c2cccnc2)CCC[NH2+]1 ZINC000049662975 176181741 /nfs/dbraw/zinc/18/17/41/176181741.db2.gz RLYFGKXQKILHKF-LLVKDONJSA-N 1 0 205.305 1.660 10 0 BDAERO C[C@@H]1CC[NH2+]CCN1Cc1cccnc1 ZINC000071509828 176185454 /nfs/dbraw/zinc/18/54/54/176185454.db2.gz URDDWJLNKJNLBG-LLVKDONJSA-N 1 0 205.305 1.265 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)N2CCCCCC2)C[NH2+]1 ZINC000019515597 176194840 /nfs/dbraw/zinc/19/48/40/176194840.db2.gz ZFKZWJJTEJGEKI-VXGBXAGGSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)NC2CCCCC2)C[NH2+]1 ZINC000019517860 176195129 /nfs/dbraw/zinc/19/51/29/176195129.db2.gz ZPCOBJRSNQGSGY-GHMZBOCLSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NCCc2ccccc2)C[NH2+]1 ZINC000019518163 176220515 /nfs/dbraw/zinc/22/05/15/176220515.db2.gz JSSUFVZEMHJHBU-OCCSQVGLSA-N 1 0 246.354 1.733 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NCC(F)(F)F)C[NH2+]1 ZINC000019437328 176220701 /nfs/dbraw/zinc/22/07/01/176220701.db2.gz RUUQGGKRTVGJRL-RQJHMYQMSA-N 1 0 224.226 1.053 10 0 BDAERO C[C@@H]1CC[C@H](O)[C@H](C[N@@H+]2CC[C@H](N(C)C)C2)C1 ZINC000062970881 176234717 /nfs/dbraw/zinc/23/47/17/176234717.db2.gz ZWTIUPHCKSACFS-RFGFWPKPSA-N 1 0 240.391 1.419 10 0 BDAERO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cnn[nH]3)C2)C1 ZINC000336276484 176237951 /nfs/dbraw/zinc/23/79/51/176237951.db2.gz QTKOOSALCLKIEX-PWSUYJOCSA-N 1 0 220.320 1.817 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccc(O)c2)C[C@@H]1[NH+](C)C ZINC000124193912 176261813 /nfs/dbraw/zinc/26/18/13/176261813.db2.gz TWSBXKQUYVVQOT-MFKMUULPSA-N 1 0 248.326 1.414 10 0 BDAERO C[C@@H]1CN(CC2(C[NH3+])CCCC2)CCO1 ZINC000051210545 176284391 /nfs/dbraw/zinc/28/43/91/176284391.db2.gz SRSILYXHDPFISX-LLVKDONJSA-N 1 0 212.337 1.226 10 0 BDAERO C[C@@H]1C[NH+](CCc2ccncc2)C[C@@H](C)O1 ZINC000060474226 176294325 /nfs/dbraw/zinc/29/43/25/176294325.db2.gz JEAPAZZFIRFYQZ-VXGBXAGGSA-N 1 0 220.316 1.733 10 0 BDAERO C[C@@H]1CN(Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000019393631 176302418 /nfs/dbraw/zinc/30/24/18/176302418.db2.gz QNVBGNSKAXPVDU-SNVBAGLBSA-N 1 0 238.306 1.505 10 0 BDAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]2C[NH2+]CCN12 ZINC000096984029 176305819 /nfs/dbraw/zinc/30/58/19/176305819.db2.gz HTYLDDOZPFLJTE-UKRRQHHQSA-N 1 0 245.370 1.165 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(N)=O ZINC000284599727 176305917 /nfs/dbraw/zinc/30/59/17/176305917.db2.gz QZEVDMUJGBDSFL-ZYHUDNBSSA-N 1 0 218.300 1.240 10 0 BDAERO C[C@@H]1CN(Cc2cccnc2N)C[C@@H]1[NH+](C)C ZINC000125136571 176307956 /nfs/dbraw/zinc/30/79/56/176307956.db2.gz YQVHVQCZJJNTDU-PWSUYJOCSA-N 1 0 234.347 1.046 10 0 BDAERO C[C@@H]1CN(Cc2csc(C[NH3+])n2)[C@H](C)CO1 ZINC000052476546 176310409 /nfs/dbraw/zinc/31/04/09/176310409.db2.gz LUWWUDWXGMOYNC-RKDXNWHRSA-N 1 0 241.360 1.211 10 0 BDAERO C[C@@H]1CN(Cc2csc(C[NH3+])n2)C[C@@H](C)O1 ZINC000052380587 176310493 /nfs/dbraw/zinc/31/04/93/176310493.db2.gz UBAYZAMLXKIWCF-RKDXNWHRSA-N 1 0 241.360 1.211 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])C(C)(C)C)CCCO1 ZINC000061913342 176315752 /nfs/dbraw/zinc/31/57/52/176315752.db2.gz PJJVXRXMUGNZHV-MNOVXSKESA-N 1 0 214.353 1.471 10 0 BDAERO C[C@@H]1CN([C@H](C[NH3+])Cc2ccccc2)[C@H](C)CO1 ZINC000035783253 176318286 /nfs/dbraw/zinc/31/82/86/176318286.db2.gz GKQKICUKPGOCCQ-NFAWXSAZSA-N 1 0 248.370 1.666 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCCO1 ZINC000082699264 176322472 /nfs/dbraw/zinc/32/24/72/176322472.db2.gz NADMHALUBCKBSP-UPJWGTAASA-N 1 0 224.348 1.334 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC1(C)C ZINC000123663999 176323203 /nfs/dbraw/zinc/32/32/03/176323203.db2.gz QAGSXCLPDFAJKN-IJLUTSLNSA-N 1 0 236.359 1.728 10 0 BDAERO C[C@@H]1C[NH2+]CCCN(c2cccnc2)C1 ZINC000049662992 176324421 /nfs/dbraw/zinc/32/44/21/176324421.db2.gz QNKJHWXJOVSQMF-LLVKDONJSA-N 1 0 205.305 1.517 10 0 BDAERO C[C@@H]1C[NH+]=C(NCCc2cccnc2)S1 ZINC000037718685 176324821 /nfs/dbraw/zinc/32/48/21/176324821.db2.gz OVDFOJWXMVOWCN-SECBINFHSA-N 1 0 221.329 1.705 10 0 BDAERO C[C@@H]1C[NH2+]CCN1C(=O)C(Cl)(Cl)Cl ZINC000062621708 176326032 /nfs/dbraw/zinc/32/60/32/176326032.db2.gz XZLFXOGSZULPNV-RXMQYKEDSA-N 1 0 245.537 1.177 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000111256219 176329971 /nfs/dbraw/zinc/32/99/71/176329971.db2.gz OZWVTYRTMSCLNA-ZYHUDNBSSA-N 1 0 243.310 1.983 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]2Cc3c(c(F)ccc3F)N21 ZINC000039110757 176330214 /nfs/dbraw/zinc/33/02/14/176330214.db2.gz LYEFZRJWSUXQBS-HTQZYQBOSA-N 1 0 224.254 1.688 10 0 BDAERO C[C@@H]1COCCN1Cc1ccc(C[NH3+])cc1 ZINC000035773946 176337910 /nfs/dbraw/zinc/33/79/10/176337910.db2.gz RRKWSUQTVKFOOH-LLVKDONJSA-N 1 0 220.316 1.366 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2c(F)ccc(F)c2[C@@H]1[NH3+] ZINC000035755833 176348873 /nfs/dbraw/zinc/34/88/73/176348873.db2.gz IKHOOMSVWYMTLH-MLUIRONXSA-N 1 0 247.266 1.388 10 0 BDAERO C[C@@H]1CSCC[N@@H+]1CCC1(O)CC1 ZINC000306262505 176351423 /nfs/dbraw/zinc/35/14/23/176351423.db2.gz YTDPBLPTYOEZKJ-SECBINFHSA-N 1 0 201.335 1.339 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])c2cc(Cl)ccc2S1(=O)=O ZINC000035752120 176371248 /nfs/dbraw/zinc/37/12/48/176371248.db2.gz RREFIMPXWWRDNH-HZGVNTEJSA-N 1 0 245.731 1.906 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccs2)C1 ZINC000307393553 176380046 /nfs/dbraw/zinc/38/00/46/176380046.db2.gz MCMGKYIVAVVDIZ-NXEZZACHSA-N 1 0 211.330 1.951 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000034653620 176383856 /nfs/dbraw/zinc/38/38/56/176383856.db2.gz ICJKQDATYCFGLB-SKDRFNHKSA-N 1 0 218.300 1.764 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCSCC1 ZINC000335597171 176459407 /nfs/dbraw/zinc/45/94/07/176459407.db2.gz NJYLRDKOVDAGND-WDEREUQCSA-N 1 0 242.388 1.340 10 0 BDAERO C[C@@](C[NH3+])(CO)c1ccc(Br)cc1 ZINC000071558628 176509062 /nfs/dbraw/zinc/50/90/62/176509062.db2.gz SIFPGKOCFCMMAT-SNVBAGLBSA-N 1 0 244.132 1.658 10 0 BDAERO C[C@@]1(c2ccc3c(c2)OCCO3)C[C@@H]1C[NH3+] ZINC000054587366 176546829 /nfs/dbraw/zinc/54/68/29/176546829.db2.gz MVXRZNROIVNZRN-MFKMUULPSA-N 1 0 219.284 1.694 10 0 BDAERO C[C@@]1(c2nnc3n2CCCC3)CCC[NH2+]1 ZINC000083286486 176548857 /nfs/dbraw/zinc/54/88/57/176548857.db2.gz ZEHUPJUZPLICOA-NSHDSACASA-N 1 0 206.293 1.213 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)Cc1ccc(C[NH3+])cc1 ZINC000104114247 176591557 /nfs/dbraw/zinc/59/15/57/176591557.db2.gz AXNAQGGETMABAH-LLVKDONJSA-N 1 0 246.354 1.945 10 0 BDAERO C[C@H](C[NH3+])N(C)C(=O)N1CCCCCC1 ZINC000082642285 176660060 /nfs/dbraw/zinc/66/00/60/176660060.db2.gz XXBQDEMRDGSLLH-SNVBAGLBSA-N 1 0 213.325 1.261 10 0 BDAERO C[C@H](C[NH2+]C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951963 176678302 /nfs/dbraw/zinc/67/83/02/176678302.db2.gz HSNNTVUYFYQHES-NXEZZACHSA-N 1 0 233.377 1.445 10 0 BDAERO C[C@H](CO)CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300414595 176689959 /nfs/dbraw/zinc/68/99/59/176689959.db2.gz MYHVGWIIAKOSKA-UMSGYPCISA-N 1 0 241.375 1.798 10 0 BDAERO C[C@H](CO)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671401 176707328 /nfs/dbraw/zinc/70/73/28/176707328.db2.gz XOGBDKRJSSWZPP-HIFRSBDPSA-N 1 0 248.370 1.274 10 0 BDAERO C[C@H]([NH3+])Cc1ccc2cccc(O)c2n1 ZINC000020217982 176761850 /nfs/dbraw/zinc/76/18/50/176761850.db2.gz MOCSGOGZDKTYBP-QMMMGPOBSA-N 1 0 202.257 1.830 10 0 BDAERO C[C@H]([NH3+])Cc1cccc(OCc2cnn(C)c2)c1 ZINC000037726570 176761959 /nfs/dbraw/zinc/76/19/59/176761959.db2.gz WQXFDYNGZHTINS-NSHDSACASA-N 1 0 245.326 1.889 10 0 BDAERO C[C@H]([NH3+])Cc1noc(Cc2cccs2)n1 ZINC000054161213 176763209 /nfs/dbraw/zinc/76/32/09/176763209.db2.gz HLGBQOFUMNODLM-ZETCQYMHSA-N 1 0 223.301 1.612 10 0 BDAERO C[C@H]([NH3+])Cc1ncccc1Br ZINC000044463341 176763490 /nfs/dbraw/zinc/76/34/90/176763490.db2.gz VTVQOVLQHBDNMZ-LURJTMIESA-N 1 0 215.094 1.734 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1ccc(Br)cn1 ZINC000083329176 176769842 /nfs/dbraw/zinc/76/98/42/176769842.db2.gz WOFRREFEIQPFFK-XNCJUZBTSA-N 1 0 231.093 1.225 10 0 BDAERO C[C@H]([NH3+])[C@H](c1cccnc1)n1cc(Cl)cn1 ZINC000043348900 176772810 /nfs/dbraw/zinc/77/28/10/176772810.db2.gz YQALJWLRFPZNDQ-GZMMTYOYSA-N 1 0 236.706 1.868 10 0 BDAERO C[C@H]([NH3+])c1cccc(OCC(C)(C)O)c1 ZINC000037698149 176777655 /nfs/dbraw/zinc/77/76/55/176777655.db2.gz KRWVNVLHIZAOSU-VIFPVBQESA-N 1 0 209.289 1.856 10 0 BDAERO C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(C[NH3+])cc1 ZINC000037747662 176815335 /nfs/dbraw/zinc/81/53/35/176815335.db2.gz ZIIZAEWUWYJCMC-KWBADKCTSA-N 1 0 232.327 1.979 10 0 BDAERO C[C@H](O)C[C@H]1CCC[N@@H+]1CC1(O)CCC1 ZINC000336647764 177002105 /nfs/dbraw/zinc/00/21/05/177002105.db2.gz NGZDYXCLYYYDQZ-WDEREUQCSA-N 1 0 213.321 1.137 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000083347075 177006425 /nfs/dbraw/zinc/00/64/25/177006425.db2.gz PTEJAJMQBXSNTQ-IMTBSYHQSA-N 1 0 212.318 1.403 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000096985871 177006712 /nfs/dbraw/zinc/00/67/12/177006712.db2.gz YSTNACGUDZKXLX-XVKPBYJWSA-N 1 0 244.132 1.700 10 0 BDAERO C[C@H](O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000041252129 177012885 /nfs/dbraw/zinc/01/28/85/177012885.db2.gz RTRKBXOMILNDHA-RCOVLWMOSA-N 1 0 230.105 1.830 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)CC[NH3+] ZINC000049547286 177017737 /nfs/dbraw/zinc/01/77/37/177017737.db2.gz CWHXOJVJZLLXCT-QMMMGPOBSA-N 1 0 208.261 1.027 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000049547214 177017846 /nfs/dbraw/zinc/01/78/46/177017846.db2.gz QXUBQEFAVXIVGE-QWRGUYRKSA-N 1 0 248.326 1.821 10 0 BDAERO C[C@H](O)c1ccccc1N[C@@H]1CCC[NH2+]C1 ZINC000043327628 177018071 /nfs/dbraw/zinc/01/80/71/177018071.db2.gz XLECCKJIXUVMPJ-WDEREUQCSA-N 1 0 220.316 1.904 10 0 BDAERO C[C@H](OC(=O)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000062132534 177020727 /nfs/dbraw/zinc/02/07/27/177020727.db2.gz ICRINWYVXVTFLS-CMPLNLGQSA-N 1 0 219.284 1.900 10 0 BDAERO C[C@H](OC[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068544 177021275 /nfs/dbraw/zinc/02/12/75/177021275.db2.gz MKCYGXDPGBRTNR-VHSXEESVSA-N 1 0 207.277 1.164 10 0 BDAERO C[C@H](OC[C@H](O)C[NH2+]C(C)(C)C)C1CC1 ZINC000028757628 177021314 /nfs/dbraw/zinc/02/13/14/177021314.db2.gz QKONUFFBHJDHPZ-GXSJLCMTSA-N 1 0 215.337 1.551 10 0 BDAERO C[C@H](O[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095068432 177021601 /nfs/dbraw/zinc/02/16/01/177021601.db2.gz CCQPFPSXWJQXPF-IUCAKERBSA-N 1 0 212.318 1.973 10 0 BDAERO C[C@H](OC[C@H]1CCC[NH2+]1)c1nccs1 ZINC000095068502 177021880 /nfs/dbraw/zinc/02/18/80/177021880.db2.gz MCAGVHCMQNFRRY-DTWKUNHWSA-N 1 0 212.318 1.973 10 0 BDAERO C[C@H](O[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068406 177022065 /nfs/dbraw/zinc/02/20/65/177022065.db2.gz RBAOTLLTHNLGTL-VHSXEESVSA-N 1 0 207.277 1.306 10 0 BDAERO C[C@H](Oc1ccc(C[NH3+])cc1Cl)C(N)=O ZINC000042303012 177022481 /nfs/dbraw/zinc/02/24/81/177022481.db2.gz OAGOAJSRCJJSFS-LURJTMIESA-N 1 0 228.679 1.051 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Oc1ccc2c(c1)OCO2 ZINC000041054113 177023048 /nfs/dbraw/zinc/02/30/48/177023048.db2.gz BDZRCJLZITUKHV-SFYZADRCSA-N 1 0 209.245 1.530 10 0 BDAERO 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CC[C@@H](NC(=O)CC(C)(C)[NH3+])C(C)C ZINC000082772328 487731729 /nfs/dbraw/zinc/73/17/29/487731729.db2.gz FABCVVCIDCIJBL-SECBINFHSA-N 1 0 200.326 1.665 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1ncc(C)s1 ZINC000226405169 487736070 /nfs/dbraw/zinc/73/60/70/487736070.db2.gz CXFGQRLZHLVNPP-MRVPVSSYSA-N 1 0 227.333 1.195 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCCS1 ZINC000250677221 487739168 /nfs/dbraw/zinc/73/91/68/487739168.db2.gz WXFWQOQAVZKJCY-HBNTYKKESA-N 1 0 242.388 1.373 10 0 BDAERO [NH3+]CC1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250887992 487743155 /nfs/dbraw/zinc/74/31/55/487743155.db2.gz WWJUVVYXVDOBBS-ZSBIGDGJSA-N 1 0 222.332 1.230 10 0 BDAERO CN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226456784 487752031 /nfs/dbraw/zinc/75/20/31/487752031.db2.gz ROBZEVKXMOMPIU-QWHCGFSZSA-N 1 0 236.359 1.943 10 0 BDAERO COC[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000251262472 487752817 /nfs/dbraw/zinc/75/28/17/487752817.db2.gz ADFCKPNDCGTPHJ-TUAOUCFPSA-N 1 0 242.363 1.149 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000082922055 487754206 /nfs/dbraw/zinc/75/42/06/487754206.db2.gz PQDOBULGOVETDX-JLLWLGSASA-N 1 0 224.348 1.809 10 0 BDAERO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251461821 487757825 /nfs/dbraw/zinc/75/78/25/487757825.db2.gz YZLVBUAKTHKAGS-WRWGMCAJSA-N 1 0 224.348 1.522 10 0 BDAERO CC(C)n1ncnc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089169485 487765101 /nfs/dbraw/zinc/76/51/01/487765101.db2.gz QJBOSDRDPMQDJL-QWRGUYRKSA-N 1 0 238.335 1.110 10 0 BDAERO C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000251626727 487779865 /nfs/dbraw/zinc/77/98/65/487779865.db2.gz QXAGYNYPZZSBPT-OFTGVCEQSA-N 1 0 236.359 1.537 10 0 BDAERO CC[C@H]1CN(Cc2cnn(C)c2C)CC[C@H]1[NH3+] ZINC000251657042 487781580 /nfs/dbraw/zinc/78/15/80/487781580.db2.gz GVGMREXICPWOLX-WCQYABFASA-N 1 0 236.363 1.288 10 0 BDAERO Cc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)o1 ZINC000163081545 487799738 /nfs/dbraw/zinc/79/97/38/487799738.db2.gz UPKCVMGDKHZNGA-NSHDSACASA-N 1 0 209.289 1.792 10 0 BDAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310370707 487802172 /nfs/dbraw/zinc/80/21/72/487802172.db2.gz XRFZIZULILFHPV-IEECTRCBSA-N 1 0 234.343 1.243 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000251854639 487802180 /nfs/dbraw/zinc/80/21/80/487802180.db2.gz RVIZNWBLHKDRMX-GMTAPVOTSA-N 1 0 212.337 1.474 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@H](C)C[NH2+]1 ZINC000251857237 487802213 /nfs/dbraw/zinc/80/22/13/487802213.db2.gz SCEAOCZIASSNRF-PZWNZHSQSA-N 1 0 222.332 1.241 10 0 BDAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])nc1 ZINC000089450021 487817091 /nfs/dbraw/zinc/81/70/91/487817091.db2.gz SQGBTCJSIXWEON-WDEREUQCSA-N 1 0 233.315 1.704 10 0 BDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cn[nH]c1 ZINC000678275658 487817419 /nfs/dbraw/zinc/81/74/19/487817419.db2.gz XBHORAMKKROJKA-WCQYABFASA-N 1 0 234.347 1.468 10 0 BDAERO Cc1cnccc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089462549 487822461 /nfs/dbraw/zinc/82/24/61/487822461.db2.gz ZZCHINNENRRVMH-MNOVXSKESA-N 1 0 233.315 1.704 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC(C1CC1)C1CC1 ZINC000089459473 487822567 /nfs/dbraw/zinc/82/25/67/487822567.db2.gz DNGOEOHVFDKAPR-VXGBXAGGSA-N 1 0 236.359 1.666 10 0 BDAERO Cc1cccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000089461470 487823998 /nfs/dbraw/zinc/82/39/98/487823998.db2.gz MSZCKHOMGCAXSU-AAEUAGOBSA-N 1 0 247.342 1.381 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000676234837 487825415 /nfs/dbraw/zinc/82/54/15/487825415.db2.gz PYRQKVVBVOFERS-CYBMUJFWSA-N 1 0 241.294 1.213 10 0 BDAERO CCc1csc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000252684684 487829253 /nfs/dbraw/zinc/82/92/53/487829253.db2.gz GVILWFQKNFECOI-WPRPVWTQSA-N 1 0 241.360 1.258 10 0 BDAERO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252687915 487829305 /nfs/dbraw/zinc/82/93/05/487829305.db2.gz MPTKOXMOAKYGCC-LMLFDSFASA-N 1 0 210.321 1.134 10 0 BDAERO CC[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000252683815 487829631 /nfs/dbraw/zinc/82/96/31/487829631.db2.gz FFQIUBKDTQYWDA-GRYCIOLGSA-N 1 0 224.348 1.620 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252691265 487829634 /nfs/dbraw/zinc/82/96/34/487829634.db2.gz XKQMEYWCWYHACS-USZNOCQGSA-N 1 0 222.332 1.243 10 0 BDAERO CCN(CC(F)F)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000386199361 487837428 /nfs/dbraw/zinc/83/74/28/487837428.db2.gz JVNDWCYBVFCOEG-SECBINFHSA-N 1 0 234.290 1.490 10 0 BDAERO Cc1cnc(NCC2CC[NH2+]CC2)nc1C ZINC000212410747 487840608 /nfs/dbraw/zinc/84/06/08/487840608.db2.gz GYYPSJDTDPJJLQ-UHFFFAOYSA-N 1 0 220.320 1.505 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCS[C@H](C)[C@H]1C ZINC000253074292 487846532 /nfs/dbraw/zinc/84/65/32/487846532.db2.gz PNIKQJZDEBQCKF-GMTAPVOTSA-N 1 0 244.404 1.712 10 0 BDAERO CSC(C)(C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158263532 631842585 /nfs/dbraw/zinc/84/25/85/631842585.db2.gz OJFRRICQYBKQHY-BDAKNGLRSA-N 1 0 230.377 1.372 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000659315582 487852885 /nfs/dbraw/zinc/85/28/85/487852885.db2.gz RVGSGMGJXZIYPY-UTUOFQBUSA-N 1 0 236.359 1.905 10 0 BDAERO C[C@H](C[N@@H+]1CCO[C@H](CO)C1)C(C)(C)C ZINC000670264363 487865746 /nfs/dbraw/zinc/86/57/46/487865746.db2.gz UXSGKCFABRMTEI-MNOVXSKESA-N 1 0 215.337 1.362 10 0 BDAERO C[C@@H](C[N@@H+]1CCO[C@@H](CO)C1)C(C)(C)C ZINC000670264365 487865674 /nfs/dbraw/zinc/86/56/74/487865674.db2.gz UXSGKCFABRMTEI-WDEREUQCSA-N 1 0 215.337 1.362 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)C1(C)C ZINC000084446793 322960746 /nfs/dbraw/zinc/96/07/46/322960746.db2.gz QRGCNZJLTCDUBB-MMVSWEMESA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H]([NH2+]CC[C@@H]1CCNC1=O)c1cccs1 ZINC000395792200 487873337 /nfs/dbraw/zinc/87/33/37/487873337.db2.gz VOCFUYVDROUVAT-VHSXEESVSA-N 1 0 238.356 1.925 10 0 BDAERO C[C@H]([NH3+])CCNCc1nc2c(s1)CCCC2 ZINC000666775534 487878671 /nfs/dbraw/zinc/87/86/71/487878671.db2.gz MCMCYRNGMSWKNZ-VIFPVBQESA-N 1 0 239.388 1.849 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)CCOC(C)(C)C ZINC000682029783 487884151 /nfs/dbraw/zinc/88/41/51/487884151.db2.gz ZALQRPCCEOSVHC-LBPRGKRZSA-N 1 0 217.353 1.894 10 0 BDAERO CC(C)C1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000227430462 487898687 /nfs/dbraw/zinc/89/86/87/487898687.db2.gz FYZYTFUVNCTJDU-NEPJUHHUSA-N 1 0 238.375 1.914 10 0 BDAERO Cc1cnc(N2CC[NH2+]C[C@@H]2C(C)C)s1 ZINC000083354224 487906323 /nfs/dbraw/zinc/90/63/23/487906323.db2.gz AQCOJRKAWLHXIJ-SNVBAGLBSA-N 1 0 225.361 1.886 10 0 BDAERO CCC[C@H](C)NC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000668540721 487909104 /nfs/dbraw/zinc/90/91/04/487909104.db2.gz CMTXFBPBSVWLDK-IVZWLZJFSA-N 1 0 213.325 1.306 10 0 BDAERO CCC[C@H](C)NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000668540965 487910391 /nfs/dbraw/zinc/91/03/91/487910391.db2.gz HJIQOJLDUQKFTQ-UWVGGRQHSA-N 1 0 213.325 1.178 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000083427936 487911712 /nfs/dbraw/zinc/91/17/12/487911712.db2.gz CDUBKPJDESISNS-GRYCIOLGSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@H]1C[C@@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000157537360 487914798 /nfs/dbraw/zinc/91/47/98/487914798.db2.gz ZAFSNDSMQAEZHF-QPBDYMMBSA-N 1 0 210.321 1.276 10 0 BDAERO CC(C)O[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000404555708 487927641 /nfs/dbraw/zinc/92/76/41/487927641.db2.gz OKXVKBXFUQXCPV-NEPJUHHUSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncnc2c1CCCC2 ZINC000229596619 487929018 /nfs/dbraw/zinc/92/90/18/487929018.db2.gz GRDXWGVCHSKDDD-CMPLNLGQSA-N 1 0 246.358 1.908 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc([C@@H]2CCCO2)no1 ZINC000083715318 487932398 /nfs/dbraw/zinc/93/23/98/487932398.db2.gz AAWQZMYXYFKVEP-BDAKNGLRSA-N 1 0 225.292 1.447 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000158006407 487934075 /nfs/dbraw/zinc/93/40/75/487934075.db2.gz ZCVKGLJFHIIFBA-MIMYLULJSA-N 1 0 210.321 1.276 10 0 BDAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1cn[nH]c1 ZINC000229704461 487937493 /nfs/dbraw/zinc/93/74/93/487937493.db2.gz SNYBIWGLSIBKRJ-FKTRJACZSA-N 1 0 236.319 1.104 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1[NH3+] ZINC000235387328 487947645 /nfs/dbraw/zinc/94/76/45/487947645.db2.gz WSKBEZAVJABCJB-AGIUHOORSA-N 1 0 238.375 1.757 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC000235411768 487953412 /nfs/dbraw/zinc/95/34/12/487953412.db2.gz KKVXEGFUGMYSCN-GHMZBOCLSA-N 1 0 225.361 1.675 10 0 BDAERO Cc1nsc(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000561267770 322998416 /nfs/dbraw/zinc/99/84/16/322998416.db2.gz IRYXQPNXWZZEAN-NSHDSACASA-N 1 0 238.360 1.426 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000562522221 323022861 /nfs/dbraw/zinc/02/28/61/323022861.db2.gz VGVKCGZLBWTPFC-RTBKNWGFSA-N 1 0 210.321 1.289 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](SC)C1 ZINC000394983179 323184950 /nfs/dbraw/zinc/18/49/50/323184950.db2.gz BMFJATDCUOZRQI-NEPJUHHUSA-N 1 0 247.404 1.601 10 0 BDAERO CC[C@H]1C[NH+](CC(C)(C)O)C[C@H](CC)O1 ZINC000398578174 323186699 /nfs/dbraw/zinc/18/66/99/323186699.db2.gz KWGCSWVTAGJPPU-QWRGUYRKSA-N 1 0 215.337 1.647 10 0 BDAERO Cc1oncc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000526082912 323188072 /nfs/dbraw/zinc/18/80/72/323188072.db2.gz KDDXZEYPHQSCCK-GFCCVEGCSA-N 1 0 224.304 1.720 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000399325592 323203855 /nfs/dbraw/zinc/20/38/55/323203855.db2.gz WVUCJXWEABHFQC-GWCFXTLKSA-N 1 0 248.326 1.131 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCC(=O)OC(C)(C)C ZINC000399332238 323204135 /nfs/dbraw/zinc/20/41/35/323204135.db2.gz YUQLGGGRWFBQKQ-WDEREUQCSA-N 1 0 243.347 1.563 10 0 BDAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)[C@H]1CCCO1 ZINC000396615114 323393809 /nfs/dbraw/zinc/39/38/09/323393809.db2.gz SCECPDZUQGNGNQ-FIQHERPVSA-N 1 0 212.337 1.284 10 0 BDAERO CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1CCCO1)[C@H](C)[NH3+] ZINC000399505233 323396117 /nfs/dbraw/zinc/39/61/17/323396117.db2.gz LBXMWJALXLFYSK-USZNOCQGSA-N 1 0 242.363 1.290 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCCC2CC2)C1 ZINC000158448299 487958556 /nfs/dbraw/zinc/95/85/56/487958556.db2.gz XKIYAJVJVPDMPH-RYUDHWBXSA-N 1 0 224.348 1.810 10 0 BDAERO C[C@@H]1CCCC[C@@]12[NH2+]CCc1nc[nH]c12 ZINC000238462516 323947719 /nfs/dbraw/zinc/94/77/19/323947719.db2.gz PPBHWHSHJJQFPH-BXKDBHETSA-N 1 0 205.305 1.961 10 0 BDAERO CO[C@H]1C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000536948290 323950387 /nfs/dbraw/zinc/95/03/87/323950387.db2.gz PTQMQCURMJQIIV-SKDRFNHKSA-N 1 0 244.335 1.278 10 0 BDAERO CC[C@@H](C)N1C(=O)c2ccccc2[C@@H]1C[NH3+] ZINC000536951527 323956577 /nfs/dbraw/zinc/95/65/77/323956577.db2.gz SEYLYKTUVASVHH-SKDRFNHKSA-N 1 0 218.300 1.941 10 0 BDAERO CC[C@@]1(C)C[NH2+]C[C@H]1c1cc(C)nn1C ZINC000536951315 323956618 /nfs/dbraw/zinc/95/66/18/323956618.db2.gz QADBGTJFKHOPHX-JQWIXIFHSA-N 1 0 207.321 1.832 10 0 BDAERO CCCn1nccc1[C@H](C[NH3+])C1(CO)CCC1 ZINC000536954729 323963227 /nfs/dbraw/zinc/96/32/27/323963227.db2.gz TUASNSUOFMVFNG-NSHDSACASA-N 1 0 237.347 1.498 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCC2CC2)C1 ZINC000083894350 487962299 /nfs/dbraw/zinc/96/22/99/487962299.db2.gz NOGMJHNLFLXLLK-MNOVXSKESA-N 1 0 210.321 1.420 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCF)C1 ZINC000121470864 324013532 /nfs/dbraw/zinc/01/35/32/324013532.db2.gz CCXJVRYLADULIE-SNVBAGLBSA-N 1 0 231.315 1.130 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C(C)C ZINC000073441332 324113921 /nfs/dbraw/zinc/11/39/21/324113921.db2.gz MVXHMFLLOLRCIL-NWDGAFQWSA-N 1 0 241.379 1.814 10 0 BDAERO c1cncc(CO[C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC000253595572 324191663 /nfs/dbraw/zinc/19/16/63/324191663.db2.gz GGXNHJLWTWLWSL-LLVKDONJSA-N 1 0 236.340 1.446 10 0 BDAERO c1ccc2oc(NC[C@@H]3COCC[NH2+]3)nc2c1 ZINC000116627959 487965651 /nfs/dbraw/zinc/96/56/51/487965651.db2.gz GOSJNOOXXPBGIR-SECBINFHSA-N 1 0 233.271 1.228 10 0 BDAERO C[C@H](Cc1ccc(O)cc1)[NH2+]CC1CC(O)C1 ZINC000130587166 325068670 /nfs/dbraw/zinc/06/86/70/325068670.db2.gz YLBHDOJRSHNODV-PWQPVHBWSA-N 1 0 235.327 1.684 10 0 BDAERO COC(C)(C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000133894473 325327850 /nfs/dbraw/zinc/32/78/50/325327850.db2.gz NWNJUXMKRDNOBX-DCAQKATOSA-N 1 0 227.348 1.815 10 0 BDAERO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134177975 325347381 /nfs/dbraw/zinc/34/73/81/325347381.db2.gz NXWFXCFSVPSNDV-HBNTYKKESA-N 1 0 209.293 1.039 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000547742872 325390812 /nfs/dbraw/zinc/39/08/12/325390812.db2.gz VYHSZJXCCTZVIA-TUAOUCFPSA-N 1 0 215.337 1.240 10 0 BDAERO CC(C)c1nsc(N2CC[NH2+][C@@H](C)C2)n1 ZINC000083651630 325573053 /nfs/dbraw/zinc/57/30/53/325573053.db2.gz GVDOTDBYLRKGPD-QMMMGPOBSA-N 1 0 226.349 1.460 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247019826 325584835 /nfs/dbraw/zinc/58/48/35/325584835.db2.gz LUDYLJWBRHMPTI-RHYQMDGZSA-N 1 0 239.363 1.567 10 0 BDAERO OC1CC(C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000091416071 325686553 /nfs/dbraw/zinc/68/65/53/325686553.db2.gz FYOURKHPTFIEHP-UHFFFAOYSA-N 1 0 243.310 1.490 10 0 BDAERO OC1CC(C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000091425716 325686655 /nfs/dbraw/zinc/68/66/55/325686655.db2.gz VTGKBOFWTSJTFW-UHFFFAOYSA-N 1 0 231.299 1.195 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCCO[C@H]1CCOC1 ZINC000564850768 325816821 /nfs/dbraw/zinc/81/68/21/325816821.db2.gz YVVHJBWTICMABP-RYUDHWBXSA-N 1 0 245.363 1.179 10 0 BDAERO CC1CC(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000566004603 325983001 /nfs/dbraw/zinc/98/30/01/325983001.db2.gz KWTCXACDTYYWSN-TXTTUAKNSA-N 1 0 236.359 1.618 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCOCC1CCC1 ZINC000568737337 326374180 /nfs/dbraw/zinc/37/41/80/326374180.db2.gz MSBNUHQWBHQYJT-ZYHUDNBSSA-N 1 0 240.347 1.060 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@H]2CC=CCC2)CC1 ZINC000084067076 487992112 /nfs/dbraw/zinc/99/21/12/487992112.db2.gz RRYHQZCZKAKPEM-MCIGGMRASA-N 1 0 222.332 1.729 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@]1(C)CCCO1 ZINC000309610191 487995341 /nfs/dbraw/zinc/99/53/41/487995341.db2.gz ZSGFUCTVQYDOFC-LOWDOPEQSA-N 1 0 227.348 1.837 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@]1(C)CCCO1 ZINC000309610192 487995531 /nfs/dbraw/zinc/99/55/31/487995531.db2.gz ZSGFUCTVQYDOFC-QNWHQSFQSA-N 1 0 227.348 1.837 10 0 BDAERO O[C@H](C[NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000309609556 487995274 /nfs/dbraw/zinc/99/52/74/487995274.db2.gz YZBCDQUZQRFPQF-QWHCGFSZSA-N 1 0 227.348 1.696 10 0 BDAERO CCOc1cc(N2CCC([NH3+])CC2)nc(C)n1 ZINC000090787789 488000391 /nfs/dbraw/zinc/00/03/91/488000391.db2.gz CJBGMKNFGBEFCD-UHFFFAOYSA-N 1 0 236.319 1.111 10 0 BDAERO CN1C[C@H](C[NH2+]C2CC3(CCC3)C2)CC1=O ZINC000668616138 488009492 /nfs/dbraw/zinc/00/94/92/488009492.db2.gz GYWQXLFGJWOFLG-JTQLQIEISA-N 1 0 222.332 1.387 10 0 BDAERO CN1C[C@@H](C[NH2+]CCC(C)(C)C)CC1=O ZINC000668616712 488010323 /nfs/dbraw/zinc/01/03/23/488010323.db2.gz POZLWPBORQSROK-SNVBAGLBSA-N 1 0 212.337 1.491 10 0 BDAERO Cc1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)co1 ZINC000310461064 488028550 /nfs/dbraw/zinc/02/85/50/488028550.db2.gz FHBPYVWWNPMGEB-MVWJERBFSA-N 1 0 221.304 1.152 10 0 BDAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CO1 ZINC000396867473 488041697 /nfs/dbraw/zinc/04/16/97/488041697.db2.gz ZPGXAMVZZLIJKH-GRYCIOLGSA-N 1 0 227.348 1.695 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1CCCCC1 ZINC000084308427 488042173 /nfs/dbraw/zinc/04/21/73/488042173.db2.gz OMJFFGGCESCWCD-PWSUYJOCSA-N 1 0 224.348 1.810 10 0 BDAERO CC(C)CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309252 488043140 /nfs/dbraw/zinc/04/31/40/488043140.db2.gz ALZNHDOUQMNVGU-GHMZBOCLSA-N 1 0 212.337 1.476 10 0 BDAERO CCCN(CC)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084309213 488043272 /nfs/dbraw/zinc/04/32/72/488043272.db2.gz MCLREDNYDBWHFI-WDEREUQCSA-N 1 0 212.337 1.620 10 0 BDAERO CN(CC1CC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084309856 488043685 /nfs/dbraw/zinc/04/36/85/488043685.db2.gz LLJZHDVWUDLPGD-WDEREUQCSA-N 1 0 210.321 1.230 10 0 BDAERO CN(CC(C)(C)C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084310531 488044986 /nfs/dbraw/zinc/04/49/86/488044986.db2.gz SNCVQCAISPTZPZ-QWRGUYRKSA-N 1 0 226.364 1.866 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCC1CC1 ZINC000084311407 488044884 /nfs/dbraw/zinc/04/48/84/488044884.db2.gz SDBIXSDNBYHLSA-QWRGUYRKSA-N 1 0 210.321 1.278 10 0 BDAERO O[C@@H]1C[NH2+][C@H](c2nc(Cc3ccccc3)no2)C1 ZINC000131702888 488050132 /nfs/dbraw/zinc/05/01/32/488050132.db2.gz NHKMFJGAGGPGDH-QWRGUYRKSA-N 1 0 245.282 1.056 10 0 BDAERO CC1(CO)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000401789755 488067407 /nfs/dbraw/zinc/06/74/07/488067407.db2.gz GNLQIUKSLVMIEX-CHWSQXEVSA-N 1 0 241.375 1.632 10 0 BDAERO [NH3+]Cc1cn(CCc2c(F)cccc2F)nn1 ZINC000402207864 488074752 /nfs/dbraw/zinc/07/47/52/488074752.db2.gz ZWDLZUHGIGTAJD-UHFFFAOYSA-N 1 0 238.241 1.258 10 0 BDAERO Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000092329762 488087690 /nfs/dbraw/zinc/08/76/90/488087690.db2.gz AHSSVFGRTZJELF-OIBJUYFYSA-N 1 0 237.303 1.078 10 0 BDAERO Cc1cccc(CNC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136364920 488099471 /nfs/dbraw/zinc/09/94/71/488099471.db2.gz CLIACIDYZDCVIZ-ZDUSSCGKSA-N 1 0 234.343 1.985 10 0 BDAERO C[C@@H]1COCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000389603661 488102163 /nfs/dbraw/zinc/10/21/63/488102163.db2.gz WNWCBDKCADVULU-GRYCIOLGSA-N 1 0 213.321 1.258 10 0 BDAERO Cc1c(C[NH2+]CCc2cncc(C)n2)cnn1C ZINC000402802049 488102978 /nfs/dbraw/zinc/10/29/78/488102978.db2.gz XOEXPRGQGBGIEA-UHFFFAOYSA-N 1 0 245.330 1.159 10 0 BDAERO CCO[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000136442516 488102651 /nfs/dbraw/zinc/10/26/51/488102651.db2.gz VRDCKBSGTUIPGW-RYUDHWBXSA-N 1 0 242.363 1.387 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@@]1(CC)CCOC1 ZINC000683040807 488103107 /nfs/dbraw/zinc/10/31/07/488103107.db2.gz GGBTZWCLRFBKNT-LBPRGKRZSA-N 1 0 238.335 1.265 10 0 BDAERO C[C@@H]1OCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@H]1C ZINC000309722240 488111391 /nfs/dbraw/zinc/11/13/91/488111391.db2.gz CCDZSVDNKXCOCB-WUHRBBMRSA-N 1 0 227.348 1.647 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667776671 488117523 /nfs/dbraw/zinc/11/75/23/488117523.db2.gz AGVJBFWLQKTKMH-AGIUHOORSA-N 1 0 225.332 1.713 10 0 BDAERO CC[C@H]1CN(c2nc(C)ns2)CC[C@@H]1[NH3+] ZINC000123052449 488120045 /nfs/dbraw/zinc/12/00/45/488120045.db2.gz AJRNCTYKHHDGMM-IUCAKERBSA-N 1 0 226.349 1.410 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000389861258 488120916 /nfs/dbraw/zinc/12/09/16/488120916.db2.gz HHIBONXRCGGING-RMPHRYRLSA-N 1 0 222.332 1.147 10 0 BDAERO [NH3+]Cc1ccc(C(=O)NCC[C@@H]2CCCO2)o1 ZINC000094569346 487543528 /nfs/dbraw/zinc/54/35/28/487543528.db2.gz QYHBEXMSTLIXOK-VIFPVBQESA-N 1 0 238.287 1.037 10 0 BDAERO OC[C@H]1COCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000168901712 487551019 /nfs/dbraw/zinc/55/10/19/487551019.db2.gz NFKZLMAEVMVZDR-STQMWFEESA-N 1 0 233.311 1.019 10 0 BDAERO CC(C)[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C1CC1 ZINC000324184332 487551911 /nfs/dbraw/zinc/55/19/11/487551911.db2.gz XWXDWWYSTCVXFV-DGCLKSJQSA-N 1 0 224.348 1.679 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc2nccnc2n1 ZINC000094726554 487556924 /nfs/dbraw/zinc/55/69/24/487556924.db2.gz RHGIIOKRRBKAQB-NXEZZACHSA-N 1 0 243.314 1.564 10 0 BDAERO CC(C)([NH3+])CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000085988342 487471189 /nfs/dbraw/zinc/47/11/89/487471189.db2.gz GWNYHZCLRBXWKA-MNOVXSKESA-N 1 0 242.363 1.171 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@@H]2C)o1 ZINC000231744510 487473876 /nfs/dbraw/zinc/47/38/76/487473876.db2.gz WICFEQQPIBBMAD-UTLUCORTSA-N 1 0 237.303 1.158 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ncc(C)o1 ZINC000231744604 487474153 /nfs/dbraw/zinc/47/41/53/487474153.db2.gz GQMFIBDZCYVJIR-QNSHHTMESA-N 1 0 239.319 1.534 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000380618921 487482072 /nfs/dbraw/zinc/48/20/72/487482072.db2.gz MVPXBOODTKNCPI-JOYOIKCWSA-N 1 0 243.310 1.730 10 0 BDAERO [NH3+]C[C@H]1c2ccccc2CCN1c1ncccn1 ZINC000227724876 487494537 /nfs/dbraw/zinc/49/45/37/487494537.db2.gz DVGSPYIXICNBGO-ZDUSSCGKSA-N 1 0 240.310 1.539 10 0 BDAERO c1cnc2n[nH]c([C@@H]3CCC[NH2+]C3)c2c1 ZINC000019686234 487496125 /nfs/dbraw/zinc/49/61/25/487496125.db2.gz WTSKAHZLLPCUFM-MRVPVSSYSA-N 1 0 202.261 1.425 10 0 BDAERO Cc1noc2ncnc(N3C[C@H](C)[NH2+]C[C@@H]3C)c12 ZINC000086471002 487511335 /nfs/dbraw/zinc/51/13/35/487511335.db2.gz DIHCTUOMPKPDEF-YUMQZZPRSA-N 1 0 247.302 1.113 10 0 BDAERO O[C@H]1CCC[C@H](C[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000381499919 487510610 /nfs/dbraw/zinc/51/06/10/487510610.db2.gz OQDHVOZSXNVJPZ-ZDEQEGDKSA-N 1 0 225.332 1.401 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000676234508 487563078 /nfs/dbraw/zinc/56/30/78/487563078.db2.gz AXNGXYGJMSNNEC-CQSZACIVSA-N 1 0 240.306 1.818 10 0 BDAERO CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252476310 487825121 /nfs/dbraw/zinc/82/51/21/487825121.db2.gz UFBZSKVHCQHUBM-CLLJXQQHSA-N 1 0 238.375 1.881 10 0 BDAERO CC(C)(C)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000158756061 487974360 /nfs/dbraw/zinc/97/43/60/487974360.db2.gz DLSCISCFDMOVMV-WDEREUQCSA-N 1 0 226.364 1.914 10 0 BDAERO CCc1cc(N[C@@H](C)CC[NH3+])nc(C)n1 ZINC000134270410 487977018 /nfs/dbraw/zinc/97/70/18/487977018.db2.gz KYQCKCDHSHCAKN-QMMMGPOBSA-N 1 0 208.309 1.497 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000677853816 488141707 /nfs/dbraw/zinc/14/17/07/488141707.db2.gz KBZAFAJYZLNQLT-ONGXEEELSA-N 1 0 231.299 1.830 10 0 BDAERO CC(C)[C@H](C)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404132064 488147628 /nfs/dbraw/zinc/14/76/28/488147628.db2.gz NRZKUEGZOXSUNZ-UWVGGRQHSA-N 1 0 221.291 1.980 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2O)C(N)=O ZINC000294250917 488147778 /nfs/dbraw/zinc/14/77/78/488147778.db2.gz PYRRDBQAIDPCOP-WDEREUQCSA-N 1 0 234.299 1.233 10 0 BDAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000160929341 488179150 /nfs/dbraw/zinc/17/91/50/488179150.db2.gz MHJCOJVNSFNZJC-GVXVVHGQSA-N 1 0 247.342 1.634 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000054073207 488205501 /nfs/dbraw/zinc/20/55/01/488205501.db2.gz DTQBZNVRFDLDKX-HTQZYQBOSA-N 1 0 242.269 1.750 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1N1CCCC1 ZINC000054073262 488205713 /nfs/dbraw/zinc/20/57/13/488205713.db2.gz HLVVDAINIBXUAE-LLVKDONJSA-N 1 0 247.342 1.833 10 0 BDAERO CC[C@H]1C[NH+]([C@@H]2CCC[C@H]2O)C[C@H](CC)O1 ZINC000398597296 488220288 /nfs/dbraw/zinc/22/02/88/488220288.db2.gz SMLUMTGPDWWIFB-WUHRBBMRSA-N 1 0 227.348 1.789 10 0 BDAERO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000085986009 488222299 /nfs/dbraw/zinc/22/22/99/488222299.db2.gz UFQZEUMBPYBFAN-RYUDHWBXSA-N 1 0 242.363 1.042 10 0 BDAERO COCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398762334 488223282 /nfs/dbraw/zinc/22/32/82/488223282.db2.gz CMZIWCQPTLAOFO-WUHRBBMRSA-N 1 0 227.348 1.504 10 0 BDAERO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000399207721 488226792 /nfs/dbraw/zinc/22/67/92/488226792.db2.gz DUFOGPMXHPLDPC-VOAKCMCISA-N 1 0 227.348 1.383 10 0 BDAERO Cn1cccc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000050595844 490162482 /nfs/dbraw/zinc/16/24/82/490162482.db2.gz MSLOJSBPWTYNJR-ZYHUDNBSSA-N 1 0 208.305 1.418 10 0 BDAERO CC(C)COCCn1cc(C(C)(C)[NH3+])nn1 ZINC000232895835 490247996 /nfs/dbraw/zinc/24/79/96/490247996.db2.gz FCYSRHZRBYNRBG-UHFFFAOYSA-N 1 0 226.324 1.145 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CN1C1CC1 ZINC000128889338 490594885 /nfs/dbraw/zinc/59/48/85/490594885.db2.gz XDGRUSBUIQJDEY-BZPMIXESSA-N 1 0 238.375 1.770 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000227193101 491055932 /nfs/dbraw/zinc/05/59/32/491055932.db2.gz NJCKUOWPYKEDGY-GMTAPVOTSA-N 1 0 201.310 1.305 10 0 BDAERO C[C@]1(C(=O)NCCCC2CC2)CCCC[NH2+]1 ZINC000163703547 491090083 /nfs/dbraw/zinc/09/00/83/491090083.db2.gz MXVRVMHTKGIVRN-CYBMUJFWSA-N 1 0 224.348 1.825 10 0 BDAERO [NH3+][C@H]1c2c(Br)cccc2CC[C@@H]1O ZINC000039941500 491110652 /nfs/dbraw/zinc/11/06/52/491110652.db2.gz ACUGHLWGEVRFJO-WCBMZHEXSA-N 1 0 242.116 1.756 10 0 BDAERO C[C@H]([NH2+]CCC(N)=O)c1cc(F)ccc1F ZINC000035247156 491120709 /nfs/dbraw/zinc/12/07/09/491120709.db2.gz ZQHDVYBDASDMMS-ZETCQYMHSA-N 1 0 228.242 1.491 10 0 BDAERO C[C@](O)(CO)C[NH2+]Cc1ccnc2ccccc12 ZINC000090285989 491124316 /nfs/dbraw/zinc/12/43/16/491124316.db2.gz 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TVJPSJPXZROOCE-STQMWFEESA-N 1 0 228.380 1.564 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1cnccn1 ZINC000248598562 535593251 /nfs/dbraw/zinc/59/32/51/535593251.db2.gz BJBJTCHUYAGPKQ-OLZOCXBDSA-N 1 0 248.374 1.954 10 0 BDAERO CCO[C@H]1CCCN(c2ccc(C[NH3+])cn2)C1 ZINC000042408116 535622051 /nfs/dbraw/zinc/62/20/51/535622051.db2.gz FEKCJXAZFMYKNT-LBPRGKRZSA-N 1 0 235.331 1.546 10 0 BDAERO CCC[C@H](C)N(C)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ZINC000227209110 535627405 /nfs/dbraw/zinc/62/74/05/535627405.db2.gz OEMJTTAJGDDEEI-DCAQKATOSA-N 1 0 228.336 1.140 10 0 BDAERO CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000167998794 535690573 /nfs/dbraw/zinc/69/05/73/535690573.db2.gz YWSQLFBLIWVJOM-QJPTWQEYSA-N 1 0 215.337 1.552 10 0 BDAERO CCOC(CN1CC[N@@H+]2CCC[C@@H]2C1)OCC ZINC000094462638 535736852 /nfs/dbraw/zinc/73/68/52/535736852.db2.gz ZOGUVEKMODFNLS-GFCCVEGCSA-N 1 0 242.363 1.166 10 0 BDAERO CCO[C@@H]1CCCN(c2cc(C[NH3+])ccn2)C1 ZINC000042408113 535745046 /nfs/dbraw/zinc/74/50/46/535745046.db2.gz GKGBDGVHPGDHAB-GFCCVEGCSA-N 1 0 235.331 1.546 10 0 BDAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262557589 535891321 /nfs/dbraw/zinc/89/13/21/535891321.db2.gz PUUAXERQFFWOHB-JBLDHEPKSA-N 1 0 224.348 1.489 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)C1CC1 ZINC000085790125 535914300 /nfs/dbraw/zinc/91/43/00/535914300.db2.gz IVVYUTLHGCENRG-RYUDHWBXSA-N 1 0 212.337 1.095 10 0 BDAERO CN(C(=O)C1CC=CC1)[C@H]1CCC[NH2+]CC1 ZINC000226458372 535964612 /nfs/dbraw/zinc/96/46/12/535964612.db2.gz PXNBFCTXGYPXEE-LBPRGKRZSA-N 1 0 222.332 1.553 10 0 BDAERO CC[C@@](C)(C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000019518495 535978471 /nfs/dbraw/zinc/97/84/71/535978471.db2.gz DADZMTYKIVAWEI-HNNXBMFYSA-N 1 0 247.386 1.936 10 0 BDAERO CCn1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)cn1 ZINC000348551803 536044995 /nfs/dbraw/zinc/04/49/95/536044995.db2.gz UZHKWPKWGMRDLG-VXGBXAGGSA-N 1 0 223.320 1.248 10 0 BDAERO CCc1c(C)nc(C)nc1N1CCC([NH3+])CC1 ZINC000045951001 536070501 /nfs/dbraw/zinc/07/05/01/536070501.db2.gz 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C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cncnc2)[NH2+]1 ZINC000757220283 582563896 /nfs/dbraw/zinc/56/38/96/582563896.db2.gz XYZYJPHEOKLBBJ-SPFNVWMYSA-N 1 0 220.320 1.111 10 0 BDAERO CC(=O)c1ccc([C@H]2C[NH2+]C[C@@H](N)C2)cc1 ZINC000757218663 582563929 /nfs/dbraw/zinc/56/39/29/582563929.db2.gz WQBXLJYRTOKOBA-OLZOCXBDSA-N 1 0 218.300 1.293 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@@H]2c2ccccn2)N1 ZINC000235694596 582603438 /nfs/dbraw/zinc/60/34/38/582603438.db2.gz NYZHLUNYORBKBL-GXSJLCMTSA-N 1 0 216.288 1.176 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@@H]2C2CCCC2)N1 ZINC000235693955 582603497 /nfs/dbraw/zinc/60/34/97/582603497.db2.gz YGVGQOFHGBAYDL-GXSJLCMTSA-N 1 0 207.321 1.599 10 0 BDAERO Cc1ccc([C@H]2CNC3=[NH+]CCN3C2)cc1 ZINC000235982670 582634651 /nfs/dbraw/zinc/63/46/51/582634651.db2.gz HLDAYZMXBPDXPA-LBPRGKRZSA-N 1 0 215.300 1.353 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@@H]2[C@@H]1CCOC1 ZINC000236045339 582637425 /nfs/dbraw/zinc/63/74/25/582637425.db2.gz OFQZSJSQGJJEQM-NXEZZACHSA-N 1 0 207.277 1.585 10 0 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BDAERO C[C@@H](C(=O)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000702912462 582929967 /nfs/dbraw/zinc/92/99/67/582929967.db2.gz SLERTPYLKJQPKY-RQJHMYQMSA-N 1 0 209.211 1.896 10 0 BDAERO N[C@H]1C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000396908642 583093426 /nfs/dbraw/zinc/09/34/26/583093426.db2.gz HSDUYCABSJKPPH-UWVGGRQHSA-N 1 0 230.233 1.720 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000390495733 583113027 /nfs/dbraw/zinc/11/30/27/583113027.db2.gz RVWQOZHKRYYOGY-LFSVMHDDSA-N 1 0 224.348 1.489 10 0 BDAERO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399262398 583172681 /nfs/dbraw/zinc/17/26/81/583172681.db2.gz QKRXYFAJZXSPFR-OCCSQVGLSA-N 1 0 240.391 1.611 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2ncnc3onc(C)c32)C1 ZINC000071194732 583209554 /nfs/dbraw/zinc/20/95/54/583209554.db2.gz YGWTXASUYOBCQP-SECBINFHSA-N 1 0 247.302 1.114 10 0 BDAERO CC(C)[NH+](CC12CC(CO)(C1)CO2)C(C)C ZINC000669379686 583949135 /nfs/dbraw/zinc/94/91/35/583949135.db2.gz JDYGZFUAUZFYPD-UHFFFAOYSA-N 1 0 227.348 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BDAERO C[C@H]([NH3+])[C@@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000126490088 590321111 /nfs/dbraw/zinc/32/11/11/590321111.db2.gz WMUKYUQAFNXROB-DTWKUNHWSA-N 1 0 240.738 1.694 10 0 BDAERO Clc1cncc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000126510132 590323647 /nfs/dbraw/zinc/32/36/47/590323647.db2.gz GXOGCIIRZSMPEY-SSDOTTSWSA-N 1 0 212.684 1.151 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=S)NC1CC1 ZINC000128939933 591191660 /nfs/dbraw/zinc/19/16/60/591191660.db2.gz CJFXACSHFINSGG-NSHDSACASA-N 1 0 241.404 1.439 10 0 BDAERO CC[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)C(C)C ZINC000129838622 591412693 /nfs/dbraw/zinc/41/26/93/591412693.db2.gz AQXJBOPXZLJOLC-WDEREUQCSA-N 1 0 212.337 1.665 10 0 BDAERO C[C@H]([NH3+])CN(C)c1nc2cccc(F)c2o1 ZINC000212548529 591414753 /nfs/dbraw/zinc/41/47/53/591414753.db2.gz UXUZYMMNPHTZRE-ZETCQYMHSA-N 1 0 223.251 1.750 10 0 BDAERO C[C@H]1CN(C(=O)N2CCCC2)C[C@H]1[NH+](C)C ZINC000130423330 591466623 /nfs/dbraw/zinc/46/66/23/591466623.db2.gz XWTZGDHKYHOJDW-WDEREUQCSA-N 1 0 225.336 1.084 10 0 BDAERO CCC[C@@H](OC)c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000131184017 591566527 /nfs/dbraw/zinc/56/65/27/591566527.db2.gz RAEXSVREGKOMCX-RKDXNWHRSA-N 1 0 225.292 1.634 10 0 BDAERO CO[C@H](c1noc(C(C)(C)C[NH3+])n1)C1CC1 ZINC000131252632 591578647 /nfs/dbraw/zinc/57/86/47/591578647.db2.gz SFVCMDRMAVOFPV-QMMMGPOBSA-N 1 0 225.292 1.403 10 0 BDAERO C[S@](=O)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000133775533 591855552 /nfs/dbraw/zinc/85/55/52/591855552.db2.gz NMBYGXJHAZDJGK-LPERZMKRSA-N 1 0 241.400 1.779 10 0 BDAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000134255589 591907047 /nfs/dbraw/zinc/90/70/47/591907047.db2.gz PYLPVIOCCUBFMN-WHOHXGKFSA-N 1 0 240.347 1.188 10 0 BDAERO CN(CC[NH+]1CCCC1)C(=O)N1CCCCC1 ZINC000134328730 591918544 /nfs/dbraw/zinc/91/85/44/591918544.db2.gz KUERNCAFXFNXSO-UHFFFAOYSA-N 1 0 239.363 1.620 10 0 BDAERO O[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCC3)[C@H]1n1cccn1 ZINC000886096752 592147518 /nfs/dbraw/zinc/14/75/18/592147518.db2.gz CYOKYOKOLWGJCV-UMSGYPCISA-N 1 0 247.342 1.480 10 0 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236.359 1.140 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000395980076 633948408 /nfs/dbraw/zinc/94/84/08/633948408.db2.gz DERWQHPMHJRYJD-VHSXEESVSA-N 1 0 227.352 1.602 10 0 BDAERO CC[N@H+]1C[C@H](N[C@H](C)c2ncc[nH]2)[C@@H](C)C1 ZINC000309927812 633949202 /nfs/dbraw/zinc/94/92/02/633949202.db2.gz WEXHBVCBZBEPKU-AXFHLTTASA-N 1 0 222.336 1.401 10 0 BDAERO COC(=O)[C@@]1(C)CCC[N@@H+]1C[Si](C)(C)C ZINC000186376737 634073106 /nfs/dbraw/zinc/07/31/06/634073106.db2.gz PCPILIHBPKGXGS-LLVKDONJSA-N 1 0 229.396 1.891 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(F)(F)F ZINC000092677454 634221210 /nfs/dbraw/zinc/22/12/10/634221210.db2.gz JQIFHUVJMUKREO-MRVPVSSYSA-N 1 0 238.253 1.491 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000094044128 635170359 /nfs/dbraw/zinc/17/03/59/635170359.db2.gz HRBPEZWQQATJME-VXNVDRBHSA-N 1 0 248.261 1.594 10 0 BDAERO Fc1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)nc1 ZINC000094044347 635171731 /nfs/dbraw/zinc/17/17/31/635171731.db2.gz 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204.273 1.634 10 0 BDAERO C[C@@H]([NH2+]C[C@@H](O)CO)c1ccc(F)c(Cl)c1 ZINC000085247082 643697299 /nfs/dbraw/zinc/69/72/99/643697299.db2.gz PUWBZCRJIRRYNE-VXNVDRBHSA-N 1 0 247.697 1.483 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)CO)c1ccc(F)c(Cl)c1 ZINC000085247080 643698774 /nfs/dbraw/zinc/69/87/74/643698774.db2.gz PUWBZCRJIRRYNE-IONNQARKSA-N 1 0 247.697 1.483 10 0 BDAERO C1[NH2+]CC1O[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000086905293 644274449 /nfs/dbraw/zinc/27/44/49/644274449.db2.gz ZFULQNDKCRFYOI-ONGXEEELSA-N 1 0 229.345 1.030 10 0 BDAERO CN(C(=O)[C@H]1CCCC[C@H]1C[NH3+])C1CC1 ZINC000084301683 644423771 /nfs/dbraw/zinc/42/37/71/644423771.db2.gz ORSGLKGIQXXFSM-ONGXEEELSA-N 1 0 210.321 1.372 10 0 BDAERO C[NH2+]CCc1noc(-c2cccnc2C)n1 ZINC000087123553 644478152 /nfs/dbraw/zinc/47/81/52/644478152.db2.gz SADGMRHPFBVXRV-UHFFFAOYSA-N 1 0 218.260 1.202 10 0 BDAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCOC[C@H]1C ZINC000088276205 644514366 /nfs/dbraw/zinc/51/43/66/644514366.db2.gz YRYWEXQMIFHKMX-NEPJUHHUSA-N 1 0 242.363 1.245 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)NCc1ccccn1 ZINC000089386640 644546966 /nfs/dbraw/zinc/54/69/66/644546966.db2.gz RWKHREAMTBKPAJ-DGCLKSJQSA-N 1 0 247.342 1.463 10 0 BDAERO CCn1nc(C)cc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000090124707 644580352 /nfs/dbraw/zinc/58/03/52/644580352.db2.gz SDKGMQKKRURFJY-ZETCQYMHSA-N 1 0 235.291 1.324 10 0 BDAERO CC[NH+](CC)[C@@H]1CCN(C(=O)n2ccnc2)C1 ZINC000091439099 644625660 /nfs/dbraw/zinc/62/56/60/644625660.db2.gz QICVKEKXCZJGHH-LLVKDONJSA-N 1 0 236.319 1.267 10 0 BDAERO [NH3+]C1CC(CNc2ncnc3ccccc32)C1 ZINC000091537939 644628720 /nfs/dbraw/zinc/62/87/20/644628720.db2.gz SLETYWYCXMPZLI-UHFFFAOYSA-N 1 0 228.299 1.779 10 0 BDAERO Clc1nccnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250240731 644749839 /nfs/dbraw/zinc/74/98/39/644749839.db2.gz IIGOIEGHIJYGEZ-VIFPVBQESA-N 1 0 238.722 1.414 10 0 BDAERO [NH3+][C@@H](CCO)c1c(F)cccc1Br ZINC000095638754 644759470 /nfs/dbraw/zinc/75/94/70/644759470.db2.gz ZCFBOPMONRUFNJ-QMMMGPOBSA-N 1 0 248.095 1.970 10 0 BDAERO C[C@@H]1CN([C@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000251836173 644825202 /nfs/dbraw/zinc/82/52/02/644825202.db2.gz PZRLPKYKBIJCPZ-XBFCOCLRSA-N 1 0 216.328 1.836 10 0 BDAERO CC[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000251932683 644830539 /nfs/dbraw/zinc/83/05/39/644830539.db2.gz RNHQUVBTRCPPRJ-DCAQKATOSA-N 1 0 212.337 1.666 10 0 BDAERO C/C=C/C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000252674224 644875098 /nfs/dbraw/zinc/87/50/98/644875098.db2.gz PVERZGXCEVNWRJ-YYMQPOIQSA-N 1 0 208.305 1.258 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cn[nH]c1 ZINC000304219477 644876464 /nfs/dbraw/zinc/87/64/64/644876464.db2.gz HDDLQBLMTZHNIO-HOSYDEDBSA-N 1 0 223.320 1.611 10 0 BDAERO C[NH2+]CCc1noc([C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)n1 ZINC000252683758 644878852 /nfs/dbraw/zinc/87/88/52/644878852.db2.gz PDROPGNTZFWOAX-DKIAZLNASA-N 1 0 239.319 1.358 10 0 BDAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)CCO)C1 ZINC000252746116 644896347 /nfs/dbraw/zinc/89/63/47/644896347.db2.gz PVYFHORJYUIGRK-IJLUTSLNSA-N 1 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248.326 1.227 10 0 BDAERO CCC1CCC(NC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC000715198692 712513573 /nfs/dbraw/zinc/51/35/73/712513573.db2.gz TXVZFULXLHRLCJ-RUJICJSRSA-N 1 0 224.348 1.666 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ccnc3cccnc32)C1 ZINC000715134474 712514589 /nfs/dbraw/zinc/51/45/89/712514589.db2.gz QMSXAEKEUCKDRK-MGCOHNPYSA-N 1 0 228.299 1.201 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715425997 712518981 /nfs/dbraw/zinc/51/89/81/712518981.db2.gz KLDDPIBWEADNNC-XQQFMLRXSA-N 1 0 224.348 1.367 10 0 BDAERO O=C(NCC1CC1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715468968 712520076 /nfs/dbraw/zinc/52/00/76/712520076.db2.gz TXCXYIYVUMWBSM-DGCLKSJQSA-N 1 0 222.332 1.292 10 0 BDAERO O[C@@H]1CCCC[C@H]1[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715392359 712522998 /nfs/dbraw/zinc/52/29/98/712522998.db2.gz WKCOXMOTBPUKLB-UTINFBMNSA-N 1 0 217.259 1.487 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCCC3)C1 ZINC000715495619 712523244 /nfs/dbraw/zinc/52/32/44/712523244.db2.gz 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ZINC000396444089 951477651 /nfs/dbraw/zinc/47/76/51/951477651.db2.gz ARDAYICFZZFLHN-VHSXEESVSA-N 1 0 228.336 1.027 10 0 BDAERO CC[C@@H](C(=O)[O-])[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000692658891 954706910 /nfs/dbraw/zinc/70/69/10/954706910.db2.gz IRAFHPFUOYXKGG-QWRGUYRKSA-N 1 0 228.336 1.266 10 0 BDAERO C[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000688491005 976180312 /nfs/dbraw/zinc/18/03/12/976180312.db2.gz BPKAPWLSICSDFC-NSHDSACASA-N 1 0 242.363 1.371 10 0 BDAERO CCN1CCC([N@H+](C)CC2(C(=O)[O-])CC2)CC1 ZINC000691584898 976371442 /nfs/dbraw/zinc/37/14/42/976371442.db2.gz HPYRNPLOBAUFCI-UHFFFAOYSA-N 1 0 240.347 1.267 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C[NH3+])C[C@@H]1C ZINC000685953438 538897971 /nfs/dbraw/zinc/89/79/71/538897971.db2.gz HDNQILBBGYWLJC-LPEHRKFASA-N 1 0 219.350 1.185 10 0 BDAERO CCN1CCC(=O)C12CC[NH+](C1CC1)CC2 ZINC000685954432 538898136 /nfs/dbraw/zinc/89/81/36/538898136.db2.gz MSDNQFOUZKDRPY-UHFFFAOYSA-N 1 0 222.332 1.278 10 0 BDAERO 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/nfs/dbraw/zinc/13/96/35/398139635.db2.gz BUHXDHHKBXXCQX-SECBINFHSA-N 1 0 224.308 1.271 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000685965371 538911732 /nfs/dbraw/zinc/91/17/32/538911732.db2.gz BSCQCVYLXBUAJA-CPCISQLKSA-N 1 0 230.233 1.508 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000685965717 538912285 /nfs/dbraw/zinc/91/22/85/538912285.db2.gz PVSUGRKRGOEANZ-WDEREUQCSA-N 1 0 210.708 1.744 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)c(C)c1 ZINC000685965856 538912536 /nfs/dbraw/zinc/91/25/36/538912536.db2.gz WOMKRVJHPFUOEV-CHWSQXEVSA-N 1 0 220.316 1.408 10 0 BDAERO COC(=O)C1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000378696108 346808976 /nfs/dbraw/zinc/80/89/76/346808976.db2.gz FYSMDDZIIDYISU-AXFHLTTASA-N 1 0 223.316 1.718 10 0 BDAERO CCC(CC)(CN)[N@@H+]1CCCSCC1 ZINC000042443608 168322418 /nfs/dbraw/zinc/32/24/18/168322418.db2.gz WXMYFYHEOPBAJU-UHFFFAOYSA-N 1 0 216.394 1.943 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616612018 349468020 /nfs/dbraw/zinc/46/80/20/349468020.db2.gz LWZGGNULFVXMKL-CQSZACIVSA-N 1 0 241.338 1.983 10 0 BDAERO CCC(CC)(C[NH3+])N1CCO[C@@H](C)C1 ZINC000019519310 168323150 /nfs/dbraw/zinc/32/31/50/168323150.db2.gz YNQKXJUJDALKIU-JTQLQIEISA-N 1 0 200.326 1.225 10 0 BDAERO C[C@@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000188573677 349487174 /nfs/dbraw/zinc/48/71/74/349487174.db2.gz GSESMPKHMUMRSO-UTUOFQBUSA-N 1 0 213.321 1.665 10 0 BDAERO COc1cccc(C[C@@H]2[NH2+]C[C@H]3C[C@H]32)c1 ZINC000396696327 349482998 /nfs/dbraw/zinc/48/29/98/349482998.db2.gz NHZZZASOMXNQDG-RTXFEEFZSA-N 1 0 203.285 1.846 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H]2CCOC2)ccc1N ZINC000061147437 178021880 /nfs/dbraw/zinc/02/18/80/178021880.db2.gz YOEARTGCCMMVGR-LBPRGKRZSA-N 1 0 220.316 1.703 10 0 BDAERO Cc1cc(C[NH2+]C(C)(C)C(N)=O)c(C)s1 ZINC000049687032 178016605 /nfs/dbraw/zinc/01/66/05/178016605.db2.gz ZRYKTUTVZRGIJD-UHFFFAOYSA-N 1 0 226.345 1.718 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCCNC2=O)c(C)n1C ZINC000052789969 178040600 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VCFFPOFQSOFNNN-SNVBAGLBSA-N 1 0 234.347 1.187 10 0 BDAERO C[C@@H]1CCC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000379784400 398166638 /nfs/dbraw/zinc/16/66/38/398166638.db2.gz HHVNCHFLRSMXRH-NXEZZACHSA-N 1 0 208.309 1.563 10 0 BDAERO Cc1cc(Cl)nc(O[C@H]2CC[NH2+]C2)n1 ZINC000095068943 178071952 /nfs/dbraw/zinc/07/19/52/178071952.db2.gz KRQYJJZVBGEJGI-ZETCQYMHSA-N 1 0 213.668 1.179 10 0 BDAERO Cc1cc(F)ccc1C[NH2+]C(C)(C)C(N)=O ZINC000050577324 178085776 /nfs/dbraw/zinc/08/57/76/178085776.db2.gz TZIMXLUUGXQOQK-UHFFFAOYSA-N 1 0 224.279 1.488 10 0 BDAERO C[NH2+][C@H](c1nccs1)C1CCOCC1 ZINC000052179419 398191029 /nfs/dbraw/zinc/19/10/29/398191029.db2.gz CROBFBKIYPYPLY-VIFPVBQESA-N 1 0 212.318 1.830 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC2(CCC2)C1 ZINC000380523191 398199619 /nfs/dbraw/zinc/19/96/19/398199619.db2.gz UOXJSKNZISXFGN-NSHDSACASA-N 1 0 224.348 1.762 10 0 BDAERO CC(C)n1cc([C@H]2[NH2+]C[C@@]23CCOC3)cn1 ZINC000536960877 398200004 /nfs/dbraw/zinc/20/00/04/398200004.db2.gz 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INKFEEWPHSLEKQ-VXGBXAGGSA-N 1 0 234.347 1.657 10 0 BDAERO Cc1cc(NC(=O)[C@@H](C)[NH3+])c2ccccc2n1 ZINC000042238441 178144535 /nfs/dbraw/zinc/14/45/35/178144535.db2.gz WFRHZDKLJDRKLZ-SECBINFHSA-N 1 0 229.283 1.829 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cccc2ncccc21 ZINC000380983951 398215761 /nfs/dbraw/zinc/21/57/61/398215761.db2.gz FBTGYNROVNNLBH-JTQLQIEISA-N 1 0 243.310 1.573 10 0 BDAERO CN1CCC[C@@H]1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000386684747 398216498 /nfs/dbraw/zinc/21/64/98/398216498.db2.gz YBRRUDJNTWZLST-KGLIPLIRSA-N 1 0 240.391 1.611 10 0 BDAERO Cc1cc(NC(=O)[C@H]([NH3+])CC(C)C)no1 ZINC000019504131 178147712 /nfs/dbraw/zinc/14/77/12/178147712.db2.gz VCATXFCJIAUDLK-MRVPVSSYSA-N 1 0 211.265 1.295 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[C@H](C)[NH2+]2)n(C)n1 ZINC000019429101 178148091 /nfs/dbraw/zinc/14/80/91/178148091.db2.gz SOTQODRBQVPGET-WCBMZHEXSA-N 1 0 236.319 1.198 10 0 BDAERO Cc1cc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000019506781 178148595 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/nfs/dbraw/zinc/22/54/03/398225403.db2.gz HPUCSNOFFOTGAA-QMMMGPOBSA-N 1 0 222.279 1.473 10 0 BDAERO Cc1cc(NC[C@H]2CC[N@@H+](C)C2)nc(Cl)n1 ZINC000052814436 178169612 /nfs/dbraw/zinc/16/96/12/178169612.db2.gz WGQPOQAYORYUPK-SECBINFHSA-N 1 0 240.738 1.802 10 0 BDAERO Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000073734844 178170294 /nfs/dbraw/zinc/17/02/94/178170294.db2.gz AUQGYSAEDOQJSC-VIFPVBQESA-N 1 0 240.738 1.850 10 0 BDAERO Cc1cc(NN)[nH+]c(N(C)Cc2ccccc2)n1 ZINC000057331528 178177746 /nfs/dbraw/zinc/17/77/46/178177746.db2.gz NOQZVFLNBFNGDL-UHFFFAOYSA-N 1 0 243.314 1.707 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H](C)O ZINC000386928794 398223166 /nfs/dbraw/zinc/22/31/66/398223166.db2.gz SSVDRQDVSSKHRC-KXUCPTDWSA-N 1 0 203.326 1.142 10 0 BDAERO Cc1cc(N[C@H]2CCCn3ncnc32)cc[nH+]1 ZINC000274879037 178190366 /nfs/dbraw/zinc/19/03/66/178190366.db2.gz HCTXNEOVWLXBEZ-NSHDSACASA-N 1 0 229.287 1.929 10 0 BDAERO C[C@H](NC(=[NH2+])NC1CC1)c1nccs1 ZINC000070733228 361744016 /nfs/dbraw/zinc/74/40/16/361744016.db2.gz YFBCKOURQKMEAG-LURJTMIESA-N 1 0 210.306 1.480 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1cc(F)ccc1F ZINC000037228290 361757440 /nfs/dbraw/zinc/75/74/40/361757440.db2.gz FTQZNNDAOZOSBO-SECBINFHSA-N 1 0 215.199 1.528 10 0 BDAERO Cc1cc(OC[C@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000095068985 178212341 /nfs/dbraw/zinc/21/23/41/178212341.db2.gz LKUKVYBPTBDVHQ-VIFPVBQESA-N 1 0 241.722 1.817 10 0 BDAERO Brc1cnccc1C1=[NH+]CCN1 ZINC000306642335 361759441 /nfs/dbraw/zinc/75/94/41/361759441.db2.gz SNIZRGQINSOUJE-UHFFFAOYSA-N 1 0 226.077 1.194 10 0 BDAERO Cc1cc(Sc2ccc(C[NH3+])cn2)n(C)n1 ZINC000052310421 178220204 /nfs/dbraw/zinc/22/02/04/178220204.db2.gz AWZAGKBWZSTXLI-UHFFFAOYSA-N 1 0 234.328 1.733 10 0 BDAERO C[C@@](O)(C[C@H]1CCC[NH2+]1)c1cscn1 ZINC000306643145 361779155 /nfs/dbraw/zinc/77/91/55/361779155.db2.gz VZSDXDXTWVGMLR-PSASIEDQSA-N 1 0 212.318 1.493 10 0 BDAERO Cc1cc([C@@H]([NH3+])c2cnccn2)ccc1F ZINC000055222699 178236916 /nfs/dbraw/zinc/23/69/16/178236916.db2.gz GCHXHCMEDCUNFK-GFCCVEGCSA-N 1 0 217.247 1.972 10 0 BDAERO Cc1cc([C@@H](O)[C@@H](C)[NH3+])c2ccccc2n1 ZINC000083300104 178240015 /nfs/dbraw/zinc/24/00/15/178240015.db2.gz WRSCWSLBULGBKC-RNCFNFMXSA-N 1 0 216.284 1.924 10 0 BDAERO Cc1cc([C@@]2(C)C[C@]2(C[NH3+])CO)c(C)o1 ZINC000070501127 178243696 /nfs/dbraw/zinc/24/36/96/178243696.db2.gz LDRSXVRLQNAALR-NEPJUHHUSA-N 1 0 209.289 1.495 10 0 BDAERO Cc1cc([C@H]([NH3+])CCC(N)=O)c(C)s1 ZINC000037483878 178262763 /nfs/dbraw/zinc/26/27/63/178262763.db2.gz FQMOLPDWRCHOHR-SECBINFHSA-N 1 0 212.318 1.630 10 0 BDAERO Cc1cc([C@H](N)C[NH3+])c(F)cc1Cl ZINC000072200609 178263000 /nfs/dbraw/zinc/26/30/00/178263000.db2.gz CKPIORYIQXECIO-SECBINFHSA-N 1 0 202.660 1.746 10 0 BDAERO Cc1cc([C@H]([NH3+])Cc2ncc[nH]2)c(C)o1 ZINC000035382272 178263463 /nfs/dbraw/zinc/26/34/63/178263463.db2.gz VWNHCUBCSFHXNT-SNVBAGLBSA-N 1 0 205.261 1.862 10 0 BDAERO Cc1cc([C@H](O)[C@H](C)[NH3+])c2ccccc2n1 ZINC000083300109 178264461 /nfs/dbraw/zinc/26/44/61/178264461.db2.gz WRSCWSLBULGBKC-TVQRCGJNSA-N 1 0 216.284 1.924 10 0 BDAERO CCC(CC)C[NH2+]CCCC(=O)OC ZINC000037416147 168360559 /nfs/dbraw/zinc/36/05/59/168360559.db2.gz BGLXEPUHNFERCQ-UHFFFAOYSA-N 1 0 201.310 1.965 10 0 BDAERO CCN1CCO[C@H](CNc2cc[nH+]c(C)c2)C1 ZINC000166120614 538939028 /nfs/dbraw/zinc/93/90/28/538939028.db2.gz QGQLQNORQGZNBL-CYBMUJFWSA-N 1 0 235.331 1.523 10 0 BDAERO Cc1cc2c(ncnc2OC[C@H]2CC[NH2+]C2)s1 ZINC000104350012 178282135 /nfs/dbraw/zinc/28/21/35/178282135.db2.gz QMQVYXQENUNONU-VIFPVBQESA-N 1 0 249.339 1.988 10 0 BDAERO CCOc1nccnc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000576494250 365610435 /nfs/dbraw/zinc/61/04/35/365610435.db2.gz ZIPVCKNSLLZQJL-WDEREUQCSA-N 1 0 248.330 1.064 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)CCC[C@H]2[NH3+] ZINC000036928891 178286126 /nfs/dbraw/zinc/28/61/26/178286126.db2.gz QGAIHLHHPNTQOR-LLVKDONJSA-N 1 0 239.340 1.871 10 0 BDAERO O=C(C[C@H]1CCCCC[NH2+]1)[C@@H]1CCOC1 ZINC000229651076 538940158 /nfs/dbraw/zinc/94/01/58/538940158.db2.gz MNDVKYLLQVRXAK-GHMZBOCLSA-N 1 0 211.305 1.514 10 0 BDAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000336778983 398246836 /nfs/dbraw/zinc/24/68/36/398246836.db2.gz MWZXCTLPIRUPOF-VOAKCMCISA-N 1 0 226.364 1.077 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC2(CCC2)C1 ZINC000380542502 398251270 /nfs/dbraw/zinc/25/12/70/398251270.db2.gz TZGOOGGCULURSF-NEPJUHHUSA-N 1 0 236.359 1.764 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)c2ncc[nH]2)c1 ZINC000286378084 538943982 /nfs/dbraw/zinc/94/39/82/538943982.db2.gz ZWWKYFIWBAHDPZ-JTQLQIEISA-N 1 0 219.292 1.265 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC(C)(C)C)C1 ZINC000343987161 365649208 /nfs/dbraw/zinc/64/92/08/365649208.db2.gz SCOJSMJAJVKLCB-WDEREUQCSA-N 1 0 215.337 1.504 10 0 BDAERO Cc1ccc(-c2nc(CCC[NH3+])no2)s1 ZINC000054139201 178334822 /nfs/dbraw/zinc/33/48/22/178334822.db2.gz XXCRLTNPKNCZOJ-UHFFFAOYSA-N 1 0 223.301 1.998 10 0 BDAERO Cc1ccc(-c2nnc(C[NH3+])n2C)cc1 ZINC000057491234 178341581 /nfs/dbraw/zinc/34/15/81/178341581.db2.gz AAQBQBLKBZEZBE-UHFFFAOYSA-N 1 0 202.261 1.249 10 0 BDAERO COC[C@]1(C)CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000381528900 398262126 /nfs/dbraw/zinc/26/21/26/398262126.db2.gz ZXGLHRUZMZUHFM-BFHYXJOUSA-N 1 0 241.375 1.896 10 0 BDAERO Cc1ccc(Br)cc1[C@@](C)(O)C[NH3+] ZINC000083255887 178362323 /nfs/dbraw/zinc/36/23/23/178362323.db2.gz PPSBWCRUZNCPSA-JTQLQIEISA-N 1 0 244.132 1.924 10 0 BDAERO CCCN(CC(F)F)C(=O)C[C@H]([NH3+])C(C)C ZINC000386251262 398264096 /nfs/dbraw/zinc/26/40/96/398264096.db2.gz VVAOATZWNQQWPL-VIFPVBQESA-N 1 0 236.306 1.864 10 0 BDAERO Cc1ccc(-n2nncc2C[NH3+])cc1F ZINC000070460944 178350810 /nfs/dbraw/zinc/35/08/10/178350810.db2.gz WSHWAQZCQOLSBQ-UHFFFAOYSA-N 1 0 206.224 1.174 10 0 BDAERO CC(C)(C)OC(=O)C[C@@H]1COCC[C@@H]1[NH3+] ZINC000200603052 538949752 /nfs/dbraw/zinc/94/97/52/538949752.db2.gz LCZHXDHXTTXPQY-BDAKNGLRSA-N 1 0 215.293 1.082 10 0 BDAERO Cc1ccc(-n2nnnc2[C@@H](C)[NH3+])cc1Cl ZINC000062494064 178351344 /nfs/dbraw/zinc/35/13/44/178351344.db2.gz YNTYDNWLTXGAFC-SSDOTTSWSA-N 1 0 237.694 1.644 10 0 BDAERO Cc1ccc(-n2nnnc2C[NH2+]C(C)C)c(F)c1 ZINC000054744629 178351351 /nfs/dbraw/zinc/35/13/51/178351351.db2.gz PFFAFVLTPWMCCF-UHFFFAOYSA-N 1 0 249.293 1.608 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@@H](C)C[NH3+])cc1F ZINC000042454970 178378060 /nfs/dbraw/zinc/37/80/60/178378060.db2.gz DKTDZIAEMGBZTM-VIFPVBQESA-N 1 0 238.306 1.801 10 0 BDAERO Cc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]C2)o1 ZINC000037470122 178380807 /nfs/dbraw/zinc/38/08/07/178380807.db2.gz RTHCLWJSMXTZME-JTQLQIEISA-N 1 0 222.288 1.412 10 0 BDAERO CCC(CC)N(CC[NH3+])[C@@H](C)C(=O)NC(C)C ZINC000104318483 168372861 /nfs/dbraw/zinc/37/28/61/168372861.db2.gz SQZUWRLDETYVMA-NSHDSACASA-N 1 0 243.395 1.349 10 0 BDAERO CCC(CC)[N@H+](CCO)CCC(=O)NC(C)C ZINC000054049077 168373437 /nfs/dbraw/zinc/37/34/37/168373437.db2.gz IEAPTDKFCQZSKZ-UHFFFAOYSA-N 1 0 244.379 1.384 10 0 BDAERO Cc1nc(C)n(-c2cc(C)ccc2C(N)=[NH2+])n1 ZINC000051580245 178369056 /nfs/dbraw/zinc/36/90/56/178369056.db2.gz VYVGFGLUONCGOS-UHFFFAOYSA-N 1 0 229.287 1.477 10 0 BDAERO CCC[C@H](C[NH3+])[C@@H](O)CCCSC ZINC000231743897 538952835 /nfs/dbraw/zinc/95/28/35/538952835.db2.gz KTHQWXMBLIOWNY-ZJUUUORDSA-N 1 0 205.367 1.866 10 0 BDAERO C[C@@H](O)C1CC[NH+](C[C@@H]2CCCN2C)CC1 ZINC000386291305 398264974 /nfs/dbraw/zinc/26/49/74/398264974.db2.gz HYMOMEFRIQIEDK-YPMHNXCESA-N 1 0 226.364 1.173 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)n1C ZINC000170857544 178397050 /nfs/dbraw/zinc/39/70/50/178397050.db2.gz MCMGSNVNNKBMIN-NSHDSACASA-N 1 0 235.331 1.110 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180199409 538957372 /nfs/dbraw/zinc/95/73/72/538957372.db2.gz GIDIZNDRRIUQHD-CMPLNLGQSA-N 1 0 236.363 1.853 10 0 BDAERO COC1CC([C@H]2[NH2+]CCc3occc32)C1 ZINC000714509913 538956458 /nfs/dbraw/zinc/95/64/58/538956458.db2.gz ZXPOTDHCICRZFD-SHVIVCPWSA-N 1 0 207.273 1.891 10 0 BDAERO Clc1cnc(Cl)nc1NCC1C[NH2+]C1 ZINC000144153530 342702145 /nfs/dbraw/zinc/70/21/45/342702145.db2.gz FNVUELYCCNQMPL-UHFFFAOYSA-N 1 0 233.102 1.415 10 0 BDAERO COC[C@H](C)[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000165441566 361840771 /nfs/dbraw/zinc/84/07/71/361840771.db2.gz HQEUTENZITXBIR-TUAOUCFPSA-N 1 0 215.337 1.672 10 0 BDAERO CCC(CC)NC(=O)[C@@H](C)OC[C@H]1CCC[NH2+]1 ZINC000051816317 168382147 /nfs/dbraw/zinc/38/21/47/168382147.db2.gz KKTXBGPFEPMJJZ-ZYHUDNBSSA-N 1 0 242.363 1.448 10 0 BDAERO CCC(CC)NC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000019427275 168382582 /nfs/dbraw/zinc/38/25/82/168382582.db2.gz NHVIWFLTEQALFT-VHSXEESVSA-N 1 0 212.337 1.679 10 0 BDAERO CCOC(=O)/C=C/c1ccc(C(N)=[NH2+])cc1 ZINC000004289423 342745951 /nfs/dbraw/zinc/74/59/51/342745951.db2.gz UAQLKJQCEQYSFF-VMPITWQZSA-N 1 0 218.256 1.547 10 0 BDAERO CCC[NH2+][C@@H](CO)c1cccc(OC)c1 ZINC000038123406 538965194 /nfs/dbraw/zinc/96/51/94/538965194.db2.gz LWLMHKAXLMXNST-LBPRGKRZSA-N 1 0 209.289 1.728 10 0 BDAERO Cn1cnnc1S[C@@H]1CCC[C@@H]1C[NH3+] ZINC000035724106 342757159 /nfs/dbraw/zinc/75/71/59/342757159.db2.gz AXSOKRCCMSOPHS-HTQZYQBOSA-N 1 0 212.322 1.035 10 0 BDAERO C[n+]1ccn(C(=O)OC(C)(C)C(F)(F)F)c1 ZINC000145160506 342760035 /nfs/dbraw/zinc/76/00/35/342760035.db2.gz JPTIHOPYRNVCJH-UHFFFAOYSA-N 1 0 237.201 1.638 10 0 BDAERO Oc1ccc2c(c1)C[C@H]([NH+]1CCCC1)C2 ZINC000147061086 342774705 /nfs/dbraw/zinc/77/47/05/342774705.db2.gz VHZWOTJVKKCITD-GFCCVEGCSA-N 1 0 203.285 1.955 10 0 BDAERO OC1(C#Cc2cccc(F)c2)CC[NH2+]CC1 ZINC000150327772 342800712 /nfs/dbraw/zinc/80/07/12/342800712.db2.gz FCZSXLGWBSRIQE-UHFFFAOYSA-N 1 0 219.259 1.292 10 0 BDAERO Clc1ccnc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000043220426 342790987 /nfs/dbraw/zinc/79/09/87/342790987.db2.gz VGHGMFUIGHHBSP-QMMMGPOBSA-N 1 0 226.711 1.542 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](N=c2[nH]c3ccccc3[nH]2)C1 ZINC000335397801 398285886 /nfs/dbraw/zinc/28/58/86/398285886.db2.gz DGZKZRHSRCMMPL-NXEZZACHSA-N 1 0 230.315 1.667 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2CCCC[C@H]2C)C1 ZINC000040637294 538972289 /nfs/dbraw/zinc/97/22/89/538972289.db2.gz ZWDSMGXYFQFYSJ-WOPDTQHZSA-N 1 0 212.337 1.238 10 0 BDAERO Cc1nsc(N2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000127029419 342814997 /nfs/dbraw/zinc/81/49/97/342814997.db2.gz TWUSUOOPCYXVEB-POYBYMJQSA-N 1 0 212.322 1.020 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CCOCC1 ZINC000378738027 538973392 /nfs/dbraw/zinc/97/33/92/538973392.db2.gz NTCARLYWZQVXDR-WCFLWFBJSA-N 1 0 227.348 1.695 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1[nH]nc2ccccc21 ZINC000378802343 538974726 /nfs/dbraw/zinc/97/47/26/538974726.db2.gz UXBQPHZNBWAKBM-GZMMTYOYSA-N 1 0 217.272 1.033 10 0 BDAERO CC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000379965103 538982802 /nfs/dbraw/zinc/98/28/02/538982802.db2.gz YJTCKHLOECSILF-NHCYSSNCSA-N 1 0 212.337 1.631 10 0 BDAERO OCC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000379996222 538983065 /nfs/dbraw/zinc/98/30/65/538983065.db2.gz JNVRNJNNQJZDTA-GHMZBOCLSA-N 1 0 215.312 1.877 10 0 BDAERO C[C@H]1CCC[N@@H+]1CC1(O)CCSCC1 ZINC000606283600 488181918 /nfs/dbraw/zinc/18/19/18/488181918.db2.gz JOGAGPPJMUWFBV-JTQLQIEISA-N 1 0 215.362 1.729 10 0 BDAERO c1cn2c(n1)C[C@H](C[NH2+]C1CSC1)CC2 ZINC000380113258 538985318 /nfs/dbraw/zinc/98/53/18/538985318.db2.gz OUPLPLFIJSYOGQ-SECBINFHSA-N 1 0 223.345 1.151 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000381978226 539008299 /nfs/dbraw/zinc/00/82/99/539008299.db2.gz DNSQBLPHLJKBRR-JOYOIKCWSA-N 1 0 217.268 1.903 10 0 BDAERO CCC1(C)CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000381356729 538999423 /nfs/dbraw/zinc/99/94/23/538999423.db2.gz DKAAUAYGMQQMJD-QWKFWESOSA-N 1 0 224.348 1.823 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000381406569 539000061 /nfs/dbraw/zinc/00/00/61/539000061.db2.gz SMOWRADQXYCIQW-XQQFMLRXSA-N 1 0 228.380 1.587 10 0 BDAERO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000381445445 539000600 /nfs/dbraw/zinc/00/06/00/539000600.db2.gz FQCBWLJMVQTPGY-IJLUTSLNSA-N 1 0 229.364 1.941 10 0 BDAERO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000390441466 539021753 /nfs/dbraw/zinc/02/17/53/539021753.db2.gz VRNHBXFMCWGAIV-WOPDTQHZSA-N 1 0 219.332 1.691 10 0 BDAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ccccc1)C2 ZINC000709838459 539027659 /nfs/dbraw/zinc/02/76/59/539027659.db2.gz BCOZMQVDLFQNHN-IHRRRGAJSA-N 1 0 244.338 1.567 10 0 BDAERO COCCC1(C[NH2+]C2CC2)CCOCC1 ZINC000061674386 539015440 /nfs/dbraw/zinc/01/54/40/539015440.db2.gz XVVGDLSMNAKOIB-UHFFFAOYSA-N 1 0 213.321 1.572 10 0 BDAERO CC(C)n1nnc(C[NH3+])c1C(F)(F)F ZINC000062296792 539016994 /nfs/dbraw/zinc/01/69/94/539016994.db2.gz HBINJSDPCMLDQB-UHFFFAOYSA-N 1 0 208.187 1.337 10 0 BDAERO C[C@H]1CC[NH2+]C[C@H]1N1C(=O)c2ccccc2C1=O ZINC000071413328 361995916 /nfs/dbraw/zinc/99/59/16/361995916.db2.gz BODBTZYQAJOWLO-JOYOIKCWSA-N 1 0 244.294 1.281 10 0 BDAERO C[C@@H](C[N@@H+]1CCOCC1(C)C)C(N)=S ZINC000042462133 362002250 /nfs/dbraw/zinc/00/22/50/362002250.db2.gz DMGSMDIURQYBMJ-QMMMGPOBSA-N 1 0 216.350 1.019 10 0 BDAERO COC(=O)c1ccoc1CC1CC[NH2+]CC1 ZINC000012506134 342853007 /nfs/dbraw/zinc/85/30/07/342853007.db2.gz HGRWYNXYXXYFJR-UHFFFAOYSA-N 1 0 223.272 1.608 10 0 BDAERO C[C@@H]1CN(c2nc(Cl)cs2)C[C@@H](C)[NH2+]1 ZINC000164965400 342860878 /nfs/dbraw/zinc/86/08/78/342860878.db2.gz SVLHFWYKRHYQGW-RNFRBKRXSA-N 1 0 231.752 1.983 10 0 BDAERO CCNC(=[NH2+])N[C@H]1CCC[C@@H](SC)C1 ZINC000233490224 342867954 /nfs/dbraw/zinc/86/79/54/342867954.db2.gz TVDQLAWQPKTEAK-DTWKUNHWSA-N 1 0 215.366 1.794 10 0 BDAERO CCNC(=[NH2+])NC1CCC(SC)CC1 ZINC000233485012 342868019 /nfs/dbraw/zinc/86/80/19/342868019.db2.gz WHYGZCPZNKQWTK-UHFFFAOYSA-N 1 0 215.366 1.794 10 0 BDAERO CC1(CNC(=O)C[C@H]2CCC[NH2+]C2)CCC1 ZINC000232847170 342886818 /nfs/dbraw/zinc/88/68/18/342886818.db2.gz CVLOYTYQPWYBSD-LLVKDONJSA-N 1 0 224.348 1.683 10 0 BDAERO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(C)C ZINC000036787641 342911025 /nfs/dbraw/zinc/91/10/25/342911025.db2.gz BBIYDGDVKZJAKZ-NXEZZACHSA-N 1 0 201.310 1.772 10 0 BDAERO CN(c1nc(Cl)cs1)[C@@H]1CC[NH2+]C1 ZINC000165304288 342903589 /nfs/dbraw/zinc/90/35/89/342903589.db2.gz DCCBZYBKIPBTPC-ZCFIWIBFSA-N 1 0 217.725 1.595 10 0 BDAERO COc1cc([C@@H](F)C[NH3+])cc(OC)c1OC ZINC000309230159 342915859 /nfs/dbraw/zinc/91/58/59/342915859.db2.gz WJJFRQWHMSRSJV-QMMMGPOBSA-N 1 0 229.251 1.682 10 0 BDAERO CS[C@H]1C[NH2+]C[C@H]1N1CCC(C)CC1 ZINC000134889384 342918161 /nfs/dbraw/zinc/91/81/61/342918161.db2.gz TVWXIYDFSLPVKP-MNOVXSKESA-N 1 0 214.378 1.422 10 0 BDAERO Cc1cccc(O)c1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000625220848 342919893 /nfs/dbraw/zinc/91/98/93/342919893.db2.gz JAPYHYVJNBBAMT-LLVKDONJSA-N 1 0 248.326 1.477 10 0 BDAERO COCCC(C)(C)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000234585828 342930090 /nfs/dbraw/zinc/93/00/90/342930090.db2.gz FMRLJUNXNOJLEX-MNOVXSKESA-N 1 0 242.363 1.293 10 0 BDAERO CC[C@@H]([NH2+][C@@H](C)CC(N)=O)C(C)(C)C ZINC000308572575 346884931 /nfs/dbraw/zinc/88/49/31/346884931.db2.gz CMIPQPNZYUFBNQ-DTWKUNHWSA-N 1 0 200.326 1.665 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000037607776 398332418 /nfs/dbraw/zinc/33/24/18/398332418.db2.gz AWVWQELWISHMLO-SFYZADRCSA-N 1 0 242.269 1.879 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037607658 398332423 /nfs/dbraw/zinc/33/24/23/398332423.db2.gz YNMJDDWAOCZMJV-HTQZYQBOSA-N 1 0 242.269 1.879 10 0 BDAERO C[NH2+][C@@]1(c2nc(C)cs2)CCN(C)C1 ZINC000061991812 398345227 /nfs/dbraw/zinc/34/52/27/398345227.db2.gz VPKOMHJMMCEDAE-JTQLQIEISA-N 1 0 211.334 1.202 10 0 BDAERO CCc1cc(N[C@@H]2CCC(=O)N(C)C2=O)cc[nH+]1 ZINC000307767867 529560150 /nfs/dbraw/zinc/56/01/50/529560150.db2.gz JHJLGUMAFUEBQL-LLVKDONJSA-N 1 0 247.298 1.203 10 0 BDAERO Cc1ccc(SC2CC[NH2+]CC2)nn1 ZINC000020274210 342979621 /nfs/dbraw/zinc/97/96/21/342979621.db2.gz XSSOWXFOWHOIPH-UHFFFAOYSA-N 1 0 209.318 1.629 10 0 BDAERO CCc1cc(N[C@H]2CCC(=O)N(C)C2=O)cc[nH+]1 ZINC000307767869 529562002 /nfs/dbraw/zinc/56/20/02/529562002.db2.gz JHJLGUMAFUEBQL-NSHDSACASA-N 1 0 247.298 1.203 10 0 BDAERO CC[C@H](C)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000247016024 343027833 /nfs/dbraw/zinc/02/78/33/343027833.db2.gz JAEGODIHOIBTAR-STQMWFEESA-N 1 0 240.391 1.970 10 0 BDAERO COc1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000045946291 343013132 /nfs/dbraw/zinc/01/31/32/343013132.db2.gz WLJJZAQSIPXAPQ-UHFFFAOYSA-N 1 0 231.299 1.751 10 0 BDAERO C[C@@H](O)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308741569 259340227 /nfs/dbraw/zinc/34/02/27/259340227.db2.gz OZUSUKNCLIPNSU-MXWKQRLJSA-N 1 0 203.301 1.875 10 0 BDAERO CC(C)N(C)C[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309211231 259342115 /nfs/dbraw/zinc/34/21/15/259342115.db2.gz HDWXJQYUNSIHCY-NEPJUHHUSA-N 1 0 230.396 1.712 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccncc1 ZINC000176994571 346919877 /nfs/dbraw/zinc/91/98/77/346919877.db2.gz GJCCXWCYUGVTLR-CYBMUJFWSA-N 1 0 247.342 1.638 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccn1 ZINC000176994602 346919935 /nfs/dbraw/zinc/91/99/35/346919935.db2.gz COIALJDBKDHOLU-GFCCVEGCSA-N 1 0 247.342 1.638 10 0 BDAERO COc1cccnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000384136888 343053153 /nfs/dbraw/zinc/05/31/53/343053153.db2.gz LSDAVBXJRZTJPQ-GHMZBOCLSA-N 1 0 233.315 1.278 10 0 BDAERO CCOc1cc([C@@H](N)C[NH3+])ccc1OC ZINC000072200758 343069750 /nfs/dbraw/zinc/06/97/50/343069750.db2.gz VWBTZDSUUWFGCW-VIFPVBQESA-N 1 0 210.277 1.052 10 0 BDAERO CON(C)C(=O)C[C@@H]([NH3+])C1CCCCC1 ZINC000584880551 343081273 /nfs/dbraw/zinc/08/12/73/343081273.db2.gz DYZBPRZNBJJBBI-SNVBAGLBSA-N 1 0 214.309 1.304 10 0 BDAERO CCNc1c(N)c[nH+]c2ccc(OC)cc21 ZINC000584882555 343085204 /nfs/dbraw/zinc/08/52/04/343085204.db2.gz KPCXATNTFZZCRX-UHFFFAOYSA-N 1 0 217.272 1.679 10 0 BDAERO CC[NH2+]C[C@H](O)C[C@@](C)(O)[C@H](C)CC ZINC000584883524 343086644 /nfs/dbraw/zinc/08/66/44/343086644.db2.gz ROGLKGZOQWUQFH-GMTAPVOTSA-N 1 0 203.326 1.144 10 0 BDAERO CC[C@](O)(C[C@H](O)C[NH2+]C(C)C)C(C)C ZINC000584883639 343086681 /nfs/dbraw/zinc/08/66/81/343086681.db2.gz XRJJDUJIPSZZMH-RYUDHWBXSA-N 1 0 217.353 1.533 10 0 BDAERO c1cc2c(s1)C1(CCOCC1)[NH2+]CC2 ZINC000584883902 343087408 /nfs/dbraw/zinc/08/74/08/343087408.db2.gz WKLIITQXMBWJER-UHFFFAOYSA-N 1 0 209.314 1.900 10 0 BDAERO CCc1cncc([C@H]2C[NH+]3CCC2CC3)n1 ZINC000013448187 343088650 /nfs/dbraw/zinc/08/86/50/343088650.db2.gz MYVMIBBJDKTHGQ-LBPRGKRZSA-N 1 0 217.316 1.848 10 0 BDAERO C[NH+](C)CCOc1ccnc2ccc(C=O)cc21 ZINC000140622271 343076597 /nfs/dbraw/zinc/07/65/97/343076597.db2.gz ZCADGLTXWGOUCB-UHFFFAOYSA-N 1 0 244.294 1.988 10 0 BDAERO CC(C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000217369784 343077373 /nfs/dbraw/zinc/07/73/73/343077373.db2.gz XRUGPVVWDDUIAJ-FGWVZKOKSA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H]1CO ZINC000038312971 343093377 /nfs/dbraw/zinc/09/33/77/343093377.db2.gz CRKTXBIAWCCNQD-QWRGUYRKSA-N 1 0 206.289 1.599 10 0 BDAERO CC[C@H]1CCCC[N@@H+]1[C@@H](C)C(N)=S ZINC000043514002 343115456 /nfs/dbraw/zinc/11/54/56/343115456.db2.gz LEELKWUGPUOJIO-IUCAKERBSA-N 1 0 200.351 1.926 10 0 BDAERO C[C@H](Oc1ccc(F)c(F)c1)C(N)=[NH2+] ZINC000043516055 343116141 /nfs/dbraw/zinc/11/61/41/343116141.db2.gz UEESSXWVLMKTKV-YFKPBYRVSA-N 1 0 200.188 1.668 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC2(CCC2)C1 ZINC000237044852 136272071 /nfs/dbraw/zinc/27/20/71/136272071.db2.gz OEFPVZMKCNKVEH-WDEREUQCSA-N 1 0 224.348 1.762 10 0 BDAERO CCNc1cc(N2CCCC[C@H]2C[NH3+])ncn1 ZINC000258698162 343126912 /nfs/dbraw/zinc/12/69/12/343126912.db2.gz KGEWZLLTBBKJPF-JTQLQIEISA-N 1 0 235.335 1.226 10 0 BDAERO Cn1c2c(F)cccc2cc(C[NH3+])c1=O ZINC000258157759 343127008 /nfs/dbraw/zinc/12/70/08/343127008.db2.gz SOOIWPSTQHONQB-UHFFFAOYSA-N 1 0 206.220 1.136 10 0 BDAERO CC(C)[N@H+]1C[C@H](NCc2cncn2C)[C@@H](C)C1 ZINC000176314555 365717282 /nfs/dbraw/zinc/71/72/82/365717282.db2.gz HLMNQKFDOHQEQZ-AAEUAGOBSA-N 1 0 236.363 1.238 10 0 BDAERO C[C@@H]1CC[C@H](C)N(C(=O)C2([NH3+])CCOCC2)C1 ZINC000127998667 343179525 /nfs/dbraw/zinc/17/95/25/343179525.db2.gz PARIFSZNSLEVEC-MNOVXSKESA-N 1 0 240.347 1.141 10 0 BDAERO CC(C)(C(=O)Nc1ccccc1)N1CC[NH2+]CC1 ZINC000131185566 343183039 /nfs/dbraw/zinc/18/30/39/343183039.db2.gz WRWDGBCPZWBOND-UHFFFAOYSA-N 1 0 247.342 1.309 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000129900074 343184717 /nfs/dbraw/zinc/18/47/17/343184717.db2.gz LMXSKBIEBGOZMT-AGIUHOORSA-N 1 0 238.375 1.881 10 0 BDAERO C[C@@H](CCC[NH3+])NC(=O)c1ccc(N(C)C)cc1 ZINC000094947800 343154054 /nfs/dbraw/zinc/15/40/54/343154054.db2.gz XCHSCMVNTOCKFY-NSHDSACASA-N 1 0 249.358 1.610 10 0 BDAERO C[C@H](CCC[NH3+])Nc1ccc2nccnc2n1 ZINC000094948025 343154448 /nfs/dbraw/zinc/15/44/48/343154448.db2.gz LZDKSECOHWYBEK-SECBINFHSA-N 1 0 231.303 1.564 10 0 BDAERO COC(=O)c1ccc(N2CCC[C@H]2C[NH3+])nc1C ZINC000124454681 343168012 /nfs/dbraw/zinc/16/80/12/343168012.db2.gz WADVLKMISIMEHI-JTQLQIEISA-N 1 0 249.314 1.104 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1C ZINC000379927164 365738579 /nfs/dbraw/zinc/73/85/79/365738579.db2.gz MBWCGHBUPCLQMR-QWHCGFSZSA-N 1 0 205.301 1.774 10 0 BDAERO C[C@@H](C[NH3+])N(C)c1ncnc2ccccc21 ZINC000125463067 343173432 /nfs/dbraw/zinc/17/34/32/343173432.db2.gz ZYBXTYYZTFGOEM-VIFPVBQESA-N 1 0 216.288 1.413 10 0 BDAERO Cc1ccc(C)c([C@H]([NH3+])CS(C)(=O)=O)c1 ZINC000053303449 178502372 /nfs/dbraw/zinc/50/23/72/178502372.db2.gz XPOPQICFLSXFLH-LLVKDONJSA-N 1 0 227.329 1.348 10 0 BDAERO C[C@@H]1C[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000166993586 343208480 /nfs/dbraw/zinc/20/84/80/343208480.db2.gz DPDRDAKQBUUTAA-VWYCJHECSA-N 1 0 210.321 1.148 10 0 BDAERO CC(C)c1nsc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000168578441 343210512 /nfs/dbraw/zinc/21/05/12/343210512.db2.gz LWUZZJGROLISCU-BDAKNGLRSA-N 1 0 240.376 1.835 10 0 BDAERO Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])nc(C)n1 ZINC000165736750 343212123 /nfs/dbraw/zinc/21/21/23/343212123.db2.gz OTWLJISZBWQPIU-YUMQZZPRSA-N 1 0 208.309 1.631 10 0 BDAERO CCc1cc(N[C@H](C)C[C@H](C)[NH3+])nc(C)n1 ZINC000165763103 343212406 /nfs/dbraw/zinc/21/24/06/343212406.db2.gz NQALAPADMFCWJB-DTWKUNHWSA-N 1 0 222.336 1.885 10 0 BDAERO CC[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000166154497 343212504 /nfs/dbraw/zinc/21/25/04/343212504.db2.gz XBNRNWJLIYQZDE-NWDGAFQWSA-N 1 0 224.348 1.635 10 0 BDAERO O[C@H]1C[NH2+][C@@H](c2nc(Cc3ccccc3)no2)C1 ZINC000132265611 343187401 /nfs/dbraw/zinc/18/74/01/343187401.db2.gz NHKMFJGAGGPGDH-GHMZBOCLSA-N 1 0 245.282 1.056 10 0 BDAERO CCc1nc(CC[NH2+][C@H]2CC[C@@H]2CC)no1 ZINC000310034108 343224053 /nfs/dbraw/zinc/22/40/53/343224053.db2.gz SGRVJKVUGVMGIM-UWVGGRQHSA-N 1 0 223.320 1.953 10 0 BDAERO COC(=O)[C@H]1C[N@@H+](C2CCCCC2)CC[C@@H]1O ZINC000260794307 343234892 /nfs/dbraw/zinc/23/48/92/343234892.db2.gz PMOCPKMIQYUYDM-RYUDHWBXSA-N 1 0 241.331 1.175 10 0 BDAERO C[C@@H]1[C@@H](N)CCC[N@@H+]1C[Si](C)(C)C ZINC000401789866 343241541 /nfs/dbraw/zinc/24/15/41/343241541.db2.gz HSTDCYKXQIAYHB-ZJUUUORDSA-N 1 0 200.402 1.675 10 0 BDAERO CC(C)[N@@H+]1CCN[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000035024411 343283244 /nfs/dbraw/zinc/28/32/44/343283244.db2.gz YELAIGQZNHBULU-CYBMUJFWSA-N 1 0 244.342 1.918 10 0 BDAERO CCOc1ccc(CC2=[NH+]CCCN2)cn1 ZINC000033975606 343263368 /nfs/dbraw/zinc/26/33/68/343263368.db2.gz ZJEPEPWYCNUTEH-UHFFFAOYSA-N 1 0 219.288 1.415 10 0 BDAERO CC[C@H]([NH3+])Cc1nc2nccnc2s1 ZINC000234076899 343320253 /nfs/dbraw/zinc/32/02/53/343320253.db2.gz JWUAAJAYOQNQIF-LURJTMIESA-N 1 0 208.290 1.366 10 0 BDAERO Cc1nccnc1N1CCC(CC[NH3+])CC1 ZINC000214246159 343311259 /nfs/dbraw/zinc/31/12/59/343311259.db2.gz XMWUUOVRXQGRBU-UHFFFAOYSA-N 1 0 220.320 1.350 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@@H]1CO ZINC000621373258 343314089 /nfs/dbraw/zinc/31/40/89/343314089.db2.gz FPKKWIYOHLRTCV-SYQHCUMBSA-N 1 0 241.375 1.488 10 0 BDAERO [NH3+]CCCNc1cc(Cl)nnc1Cl ZINC000127136614 343363191 /nfs/dbraw/zinc/36/31/91/343363191.db2.gz DZYAQDPYHVSGPW-UHFFFAOYSA-N 1 0 221.091 1.544 10 0 BDAERO NNC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC000038343360 343374264 /nfs/dbraw/zinc/37/42/64/343374264.db2.gz MNZPCILTQRSMMS-YOGCLGLASA-N 1 0 209.337 1.245 10 0 BDAERO CCC(O)(CC)C[NH2+][C@@H](CO)c1ccccc1 ZINC000166214713 136309635 /nfs/dbraw/zinc/30/96/35/136309635.db2.gz MSOWKUUUYWIGJE-ZDUSSCGKSA-N 1 0 237.343 1.861 10 0 BDAERO Cc1csc([C@@H]2CCCN2C(=O)C[NH3+])n1 ZINC000083888611 488213892 /nfs/dbraw/zinc/21/38/92/488213892.db2.gz ICCLHJGVORNYDL-QMMMGPOBSA-N 1 0 225.317 1.074 10 0 BDAERO C[C@H]1CSC[C@@](C)(C[NH+](C)C)C1=O ZINC000039104988 343384891 /nfs/dbraw/zinc/38/48/91/343384891.db2.gz MGXGHHFGWDLUGY-WCBMZHEXSA-N 1 0 201.335 1.506 10 0 BDAERO Nc1ccc(Br)cc1C1=[NH+]CCN1 ZINC000039151118 343386338 /nfs/dbraw/zinc/38/63/38/343386338.db2.gz MVCKQNDNMBFYOE-UHFFFAOYSA-N 1 0 240.104 1.381 10 0 BDAERO [NH3+][C@H]1c2cc(F)cc(F)c2CCC[C@H]1O ZINC000039941550 343393868 /nfs/dbraw/zinc/39/38/68/343393868.db2.gz PJUJEWWDBGHFJX-MNOVXSKESA-N 1 0 213.227 1.662 10 0 BDAERO Cc1nccc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000082593020 343450041 /nfs/dbraw/zinc/45/00/41/343450041.db2.gz IKLYZZTUWUJTTE-JTQLQIEISA-N 1 0 208.309 1.570 10 0 BDAERO Cc1nccc(C[NH2+][C@@H](CO)CC(C)C)n1 ZINC000054790830 136373020 /nfs/dbraw/zinc/37/30/20/136373020.db2.gz JWSVCBOHEPNNAU-GFCCVEGCSA-N 1 0 223.320 1.282 10 0 BDAERO COC[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247973945 136373291 /nfs/dbraw/zinc/37/32/91/136373291.db2.gz KGTTZCRLZZZUBQ-AVGNSLFASA-N 1 0 227.348 1.648 10 0 BDAERO COC(=O)CCSC[C@H]1CCCC[NH2+]1 ZINC000043495391 343475221 /nfs/dbraw/zinc/47/52/21/343475221.db2.gz XXOFDCMHSVQPQI-SECBINFHSA-N 1 0 217.334 1.425 10 0 BDAERO CC(C)(C)N1CCCC2(CC[NH2+]CC2)C1=O ZINC000044136577 343493178 /nfs/dbraw/zinc/49/31/78/343493178.db2.gz ZTTDCSWAGLQYHN-UHFFFAOYSA-N 1 0 224.348 1.777 10 0 BDAERO CC(C)c1nsc(N2CCC[C@@H]2C[NH3+])n1 ZINC000083672440 343495036 /nfs/dbraw/zinc/49/50/36/343495036.db2.gz RXMWEAITUMALCF-MRVPVSSYSA-N 1 0 226.349 1.589 10 0 BDAERO CCOC(=O)CC[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000310441450 343496105 /nfs/dbraw/zinc/49/61/05/343496105.db2.gz SMHBPKZJHVVHCZ-RYUDHWBXSA-N 1 0 243.347 1.423 10 0 BDAERO C[C@H]1CN(C(=O)CC[NH2+]C2CC2)CCS1 ZINC000083934571 343510287 /nfs/dbraw/zinc/51/02/87/343510287.db2.gz BSULJKIUOFQJTO-VIFPVBQESA-N 1 0 228.361 1.092 10 0 BDAERO CC[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1 ZINC000044793811 343514634 /nfs/dbraw/zinc/51/46/34/343514634.db2.gz GQUDXODUSLUDIX-WDEREUQCSA-N 1 0 220.316 1.849 10 0 BDAERO CN(C)[C@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616653683 343531828 /nfs/dbraw/zinc/53/18/28/343531828.db2.gz UKCCZKLNNITMEU-SNVBAGLBSA-N 1 0 200.326 1.395 10 0 BDAERO CCc1nc([C@]2([NH3+])CCS[C@@H]2C)no1 ZINC000234170098 343532895 /nfs/dbraw/zinc/53/28/95/343532895.db2.gz IEPWYXQOXUCXEN-MUWHJKNJSA-N 1 0 213.306 1.311 10 0 BDAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000624235116 343577261 /nfs/dbraw/zinc/57/72/61/343577261.db2.gz DVNFRNWTKZBXNT-YUTCNCBUSA-N 1 0 235.327 1.795 10 0 BDAERO Cn1nccc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712501082 537787178 /nfs/dbraw/zinc/78/71/78/537787178.db2.gz JIBPHNXRLXRYRI-JTQLQIEISA-N 1 0 219.313 1.717 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000624238375 343585360 /nfs/dbraw/zinc/58/53/60/343585360.db2.gz PXXFHTKMMRYFLN-YNEHKIRRSA-N 1 0 248.326 1.198 10 0 BDAERO c1nc2c([nH]1)[C@]1(C[C@@H]3CCCC[C@@H]31)[NH2+]CC2 ZINC000712471482 537786936 /nfs/dbraw/zinc/78/69/36/537786936.db2.gz WVCUGRLNAOUWSV-OUJBWJOFSA-N 1 0 217.316 1.961 10 0 BDAERO CN1CCC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712541869 537793111 /nfs/dbraw/zinc/79/31/11/537793111.db2.gz GHSCZXLQNQELGF-GFCCVEGCSA-N 1 0 222.357 1.815 10 0 BDAERO CCNC(=O)C[C@H]1[NH2+]CCc2ccsc21 ZINC000712516376 537789932 /nfs/dbraw/zinc/78/99/32/537789932.db2.gz RRKGDGPVFVNGHV-SECBINFHSA-N 1 0 224.329 1.461 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227579078 537794373 /nfs/dbraw/zinc/79/43/73/537794373.db2.gz UWQZUTKFMPJPSW-HBNTYKKESA-N 1 0 212.337 1.522 10 0 BDAERO Cc1c[nH+]ccc1N1CCOCC(F)(F)C1 ZINC000335867016 344036095 /nfs/dbraw/zinc/03/60/95/344036095.db2.gz BLMNXSUQXVWGOF-UHFFFAOYSA-N 1 0 228.242 1.862 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N(C1CC1)C1CCCC1 ZINC000153450530 343659109 /nfs/dbraw/zinc/65/91/09/343659109.db2.gz XSCPPGQRGSEYQO-NSHDSACASA-N 1 0 236.359 1.920 10 0 BDAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(C)C)C1 ZINC000319758743 343665825 /nfs/dbraw/zinc/66/58/25/343665825.db2.gz ZYSOKQSUNKMEFL-WDEREUQCSA-N 1 0 213.321 1.916 10 0 BDAERO Cc1nccc(C[NH2+]CCc2cscn2)n1 ZINC000082626294 133503879 /nfs/dbraw/zinc/50/38/79/133503879.db2.gz WXPWQWIEKLYXAI-UHFFFAOYSA-N 1 0 234.328 1.574 10 0 BDAERO CC(C)(C)C[NH2+][C@H]1CCc2nccn2C1 ZINC000380218543 343694845 /nfs/dbraw/zinc/69/48/45/343694845.db2.gz IWMKXCFLIKEDBM-JTQLQIEISA-N 1 0 207.321 1.834 10 0 BDAERO C[C@@H]1COC[C@H](CC(=O)c2ccsc2)[NH2+]1 ZINC000124435569 537804794 /nfs/dbraw/zinc/80/47/94/537804794.db2.gz NHGBKLVHISGGDC-SCZZXKLOSA-N 1 0 225.313 1.698 10 0 BDAERO C[C@H]1COC[C@H](CC(=O)c2ccco2)[NH2+]1 ZINC000124431416 537805352 /nfs/dbraw/zinc/80/53/52/537805352.db2.gz VHCIVBVPEPVIPR-IUCAKERBSA-N 1 0 209.245 1.229 10 0 BDAERO Cc1nnc(NC(=O)C2CCC([NH3+])CC2)s1 ZINC000380233957 343710450 /nfs/dbraw/zinc/71/04/50/343710450.db2.gz BSEXMWOJIDJABH-UHFFFAOYSA-N 1 0 240.332 1.303 10 0 BDAERO CCCn1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)cn1 ZINC000227285282 343722648 /nfs/dbraw/zinc/72/26/48/343722648.db2.gz DTFKQNDNUUVYSB-OLZOCXBDSA-N 1 0 237.347 1.686 10 0 BDAERO Cc1csc(C[N@@H+]2CC[C@H](CCO)C2)n1 ZINC000088601725 343727876 /nfs/dbraw/zinc/72/78/76/343727876.db2.gz PKBURDYGMRPLRB-SNVBAGLBSA-N 1 0 226.345 1.656 10 0 BDAERO CSc1ccccc1-n1cc(C[NH3+])nn1 ZINC000050224129 343782497 /nfs/dbraw/zinc/78/24/97/343782497.db2.gz LYJMVIPLEKAGTM-UHFFFAOYSA-N 1 0 220.301 1.448 10 0 BDAERO C[NH2+]CC(=O)N1CCC(C(C)(F)F)CC1 ZINC000409427994 343802638 /nfs/dbraw/zinc/80/26/38/343802638.db2.gz LNZXXTUFTZIINC-UHFFFAOYSA-N 1 0 220.263 1.100 10 0 BDAERO COc1ccc([C@H]([NH3+])CCl)cc1OC ZINC000146902024 343788881 /nfs/dbraw/zinc/78/88/81/343788881.db2.gz YVXNIOJJHNASNH-MRVPVSSYSA-N 1 0 215.680 1.942 10 0 BDAERO c1cnc2cc([C@H]3COCC[NH2+]3)ccc2c1 ZINC000309155304 346974469 /nfs/dbraw/zinc/97/44/69/346974469.db2.gz PGXYNGQQXZQPCG-CYBMUJFWSA-N 1 0 214.268 1.896 10 0 BDAERO CCOc1ccc2c(c1)[C@@]1(CC[NH2+]C1)C(=O)N2 ZINC000214141356 343792596 /nfs/dbraw/zinc/79/25/96/343792596.db2.gz PIERNQVLDNALOM-ZDUSSCGKSA-N 1 0 232.283 1.269 10 0 BDAERO Fc1cccc(-c2nc([C@@H]3CC[NH2+]C3)no2)c1 ZINC000216769216 343792676 /nfs/dbraw/zinc/79/26/76/343792676.db2.gz HHYAKKNMLCLEDH-SECBINFHSA-N 1 0 233.246 1.953 10 0 BDAERO [NH3+]Cc1cn(-c2cc(F)ccc2Cl)nn1 ZINC000231834060 343794205 /nfs/dbraw/zinc/79/42/05/343794205.db2.gz ZPGZHVKKFIFGQU-UHFFFAOYSA-N 1 0 226.642 1.519 10 0 BDAERO c1ccc2c(c1)CC(O[C@H]1CCC[NH2+]C1)C2 ZINC000231562965 343794210 /nfs/dbraw/zinc/79/42/10/343794210.db2.gz GRAPUZCCITUUND-ZDUSSCGKSA-N 1 0 217.312 1.922 10 0 BDAERO O=Cc1cn(C[C@@H]2CCC[N@@H+]2C2CCC2)nn1 ZINC000409428242 343803052 /nfs/dbraw/zinc/80/30/52/343803052.db2.gz ZMKDNHAZDAGJQU-LBPRGKRZSA-N 1 0 234.303 1.108 10 0 BDAERO FC1(F)CC[C@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@H]21 ZINC000409427498 343801206 /nfs/dbraw/zinc/80/12/06/343801206.db2.gz KOJWKIWZRZVBIB-GXSJLCMTSA-N 1 0 230.302 1.716 10 0 BDAERO C/C(=C/c1ccccc1)C(=O)N1CC([NH3+])C1 ZINC000409422392 343813479 /nfs/dbraw/zinc/81/34/79/343813479.db2.gz DOFUNBAHBNSPJI-YFHOEESVSA-N 1 0 216.284 1.259 10 0 BDAERO CCOc1cccc([C@@H]2C[NH2+]C[C@@H]2N)c1 ZINC000409422943 343814251 /nfs/dbraw/zinc/81/42/51/343814251.db2.gz NBRKGCXYEGOJKJ-RYUDHWBXSA-N 1 0 206.289 1.099 10 0 BDAERO C[NH2+]Cc1nc(-c2cccn2CC2CC2)no1 ZINC000409423341 343815408 /nfs/dbraw/zinc/81/54/08/343815408.db2.gz PWGABUFJQMPFBP-UHFFFAOYSA-N 1 0 232.287 1.668 10 0 BDAERO O=C(CC1CC[NH2+]CC1)N1CC[C@H](C(F)F)C1 ZINC000409424085 343816713 /nfs/dbraw/zinc/81/67/13/343816713.db2.gz BEVCZUPJCZENEY-JTQLQIEISA-N 1 0 246.301 1.490 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2ccc(Cl)nn2)C1 ZINC000062983243 349869218 /nfs/dbraw/zinc/86/92/18/349869218.db2.gz KCWBRYGCTUXMST-QMMMGPOBSA-N 1 0 226.711 1.270 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N1C[C@@H]2CCC(F)(F)[C@H]2C1 ZINC000409425161 343818765 /nfs/dbraw/zinc/81/87/65/343818765.db2.gz FHWSJSVYRBCJIT-GUBZILKMSA-N 1 0 244.285 1.242 10 0 BDAERO CCC[N@@H+]1CCCC[C@@H]1Cn1cc(C=O)nn1 ZINC000409425617 343819800 /nfs/dbraw/zinc/81/98/00/343819800.db2.gz MFWWPKBGEYODSK-GFCCVEGCSA-N 1 0 236.319 1.355 10 0 BDAERO C[C@H]1CCCCN1c1ccnc(NCC[NH3+])n1 ZINC000409425713 343820370 /nfs/dbraw/zinc/82/03/70/343820370.db2.gz BCYQEEHLTFNLPX-JTQLQIEISA-N 1 0 235.335 1.226 10 0 BDAERO [NH3+]Cc1nccnc1OCC1CC(F)(F)C1 ZINC000409426258 343821780 /nfs/dbraw/zinc/82/17/80/343821780.db2.gz PKIFDEWFCYIRCD-UHFFFAOYSA-N 1 0 229.230 1.359 10 0 BDAERO CCOC[C@H]1C[N@H+](CCO)C[C@@H]1C(F)(F)F ZINC000409431664 343824632 /nfs/dbraw/zinc/82/46/32/343824632.db2.gz JTFMSVJUIORSRI-BDAKNGLRSA-N 1 0 241.253 1.126 10 0 BDAERO O=C1CC2(C[NH2+]C2)Oc2ccc(Cl)cc21 ZINC000409432473 343826473 /nfs/dbraw/zinc/82/64/73/343826473.db2.gz ODDKJKHYGFJHOW-UHFFFAOYSA-N 1 0 223.659 1.647 10 0 BDAERO [NH3+]Cc1cn2c(n1)CO[C@@H](c1ccccc1)C2 ZINC000409428566 343804138 /nfs/dbraw/zinc/80/41/38/343804138.db2.gz NELIYUDJKNVIDH-GFCCVEGCSA-N 1 0 229.283 1.613 10 0 BDAERO [NH3+]CCN1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409429595 343806223 /nfs/dbraw/zinc/80/62/23/343806223.db2.gz OTQJLZQOJWJNRS-DTWKUNHWSA-N 1 0 204.264 1.312 10 0 BDAERO [NH3+]CCC(=O)N1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409429872 343806652 /nfs/dbraw/zinc/80/66/52/343806652.db2.gz POAFNOWZZMOFOU-RKDXNWHRSA-N 1 0 232.274 1.229 10 0 BDAERO [NH3+]CCn1ccn2nc(C(F)(F)F)cc12 ZINC000409440682 343853003 /nfs/dbraw/zinc/85/30/03/343853003.db2.gz YODDNPJXEKRMBP-UHFFFAOYSA-N 1 0 218.182 1.113 10 0 BDAERO Cc1nc(C[NH3+])cc(-c2cncc(F)c2)n1 ZINC000409440707 343853649 /nfs/dbraw/zinc/85/36/49/343853649.db2.gz YUBVLTUARLODFZ-UHFFFAOYSA-N 1 0 218.235 1.445 10 0 BDAERO COC[C@]12CN(C(N)=[NH2+])C[C@@H]1CCCC2 ZINC000409435623 343834414 /nfs/dbraw/zinc/83/44/14/343834414.db2.gz VUGHNVHASDIJKG-ONGXEEELSA-N 1 0 211.309 1.018 10 0 BDAERO Cn1cc(-c2ncc(C[NH3+])cc2Cl)cn1 ZINC000409436731 343836511 /nfs/dbraw/zinc/83/65/11/343836511.db2.gz YNCUUSMGBKTGAI-UHFFFAOYSA-N 1 0 222.679 1.594 10 0 BDAERO COc1ccc(Cc2cc(C[NH3+])ncn2)cc1 ZINC000409436732 343836977 /nfs/dbraw/zinc/83/69/77/343836977.db2.gz YPMYBNBWDYSETL-UHFFFAOYSA-N 1 0 229.283 1.535 10 0 BDAERO COC[C@@H]1C[N@H+](CCO)CC12CCCCC2 ZINC000409435743 343840051 /nfs/dbraw/zinc/84/00/51/343840051.db2.gz WJJWDZSGXHEWOY-LBPRGKRZSA-N 1 0 227.348 1.507 10 0 BDAERO C[NH2+]CCc1c[nH]nc1-c1cccs1 ZINC000409437068 343842323 /nfs/dbraw/zinc/84/23/23/343842323.db2.gz DDUOBLWNAFQCED-UHFFFAOYSA-N 1 0 207.302 1.900 10 0 BDAERO Nc1cc(C2CCC2)nn1C1CC[NH2+]CC1 ZINC000409437258 343842979 /nfs/dbraw/zinc/84/29/79/343842979.db2.gz FIFDVOCGNYMMQM-UHFFFAOYSA-N 1 0 220.320 1.657 10 0 BDAERO Cc1oncc1-c1cc(C[NH3+])nc(C2CC2)n1 ZINC000409438498 343844203 /nfs/dbraw/zinc/84/42/03/343844203.db2.gz MZVXODNWLSPTPN-UHFFFAOYSA-N 1 0 230.271 1.776 10 0 BDAERO [NH3+]CCn1nc(-c2ccncc2)cc1C1CC1 ZINC000409438716 343844869 /nfs/dbraw/zinc/84/48/69/343844869.db2.gz FHKMOVNJGGSLRE-UHFFFAOYSA-N 1 0 228.299 1.781 10 0 BDAERO [NH3+]CCCn1ccn2nc(-c3ccco3)cc12 ZINC000409438777 343845472 /nfs/dbraw/zinc/84/54/72/343845472.db2.gz ONAULLUKXBCISE-UHFFFAOYSA-N 1 0 230.271 1.745 10 0 BDAERO CCn1ccn2nc(C3CCC3)c(C[NH3+])c12 ZINC000409439595 343847870 /nfs/dbraw/zinc/84/78/70/343847870.db2.gz SIFCZMISZSSSSX-UHFFFAOYSA-N 1 0 218.304 1.882 10 0 BDAERO CCc1[nH]nc(C(F)(F)F)c1C[NH2+]C ZINC000409437756 343848888 /nfs/dbraw/zinc/84/88/88/343848888.db2.gz IKMRWNCSWSNVCL-UHFFFAOYSA-N 1 0 207.199 1.710 10 0 BDAERO NC(=[NH2+])CCc1c[nH]nc1C1CCOCC1 ZINC000409438353 343850908 /nfs/dbraw/zinc/85/09/08/343850908.db2.gz CZZHAFBAZHVEKY-UHFFFAOYSA-N 1 0 222.292 1.172 10 0 BDAERO [NH3+]C[C@H]1CCCn2c3c(nc21)CCCC3 ZINC000409440483 343852435 /nfs/dbraw/zinc/85/24/35/343852435.db2.gz LGYIBSMOPPOWFC-SECBINFHSA-N 1 0 205.305 1.598 10 0 BDAERO CCc1cc(-c2ccncc2)nn1CC(N)=[NH2+] ZINC000409440596 343852858 /nfs/dbraw/zinc/85/28/58/343852858.db2.gz NLAZJAMTYWNMQR-UHFFFAOYSA-N 1 0 229.287 1.443 10 0 BDAERO [NH3+]Cc1cn(CC2CC2)nc1-c1cccnc1 ZINC000409441496 343859462 /nfs/dbraw/zinc/85/94/62/343859462.db2.gz YRLZJQFJWLSDPH-UHFFFAOYSA-N 1 0 228.299 1.814 10 0 BDAERO OCc1cccn2c3c(nc12)CCCC3 ZINC000409441556 343859568 /nfs/dbraw/zinc/85/95/68/343859568.db2.gz PRPVWIZCCNHVFF-UHFFFAOYSA-N 1 0 202.257 1.705 10 0 BDAERO NC(=[NH2+])Cc1cn(CC2CC2)nc1C(F)(F)F ZINC000409441474 343859595 /nfs/dbraw/zinc/85/95/95/343859595.db2.gz YHOINMDXWAKUCY-UHFFFAOYSA-N 1 0 246.236 1.790 10 0 BDAERO NC(=[NH2+])c1cc(-c2ccccn2)nn1C(F)F ZINC000409443730 343862809 /nfs/dbraw/zinc/86/28/09/343862809.db2.gz SMVZWLQDOVNNHW-UHFFFAOYSA-N 1 0 237.213 1.624 10 0 BDAERO CCc1cc(C(F)(F)F)nn1CC[NH3+] ZINC000409443757 343862911 /nfs/dbraw/zinc/86/29/11/343862911.db2.gz TUQYUOFJBIVOFZ-UHFFFAOYSA-N 1 0 207.199 1.423 10 0 BDAERO CC(C)n1nc([C@H]2CCC[NH2+]C2)cc1C(N)=O ZINC000409442936 343865118 /nfs/dbraw/zinc/86/51/18/343865118.db2.gz DLTULWYXSAGADA-VIFPVBQESA-N 1 0 236.319 1.030 10 0 BDAERO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000625470707 343874610 /nfs/dbraw/zinc/87/46/10/343874610.db2.gz IFUNLJAZODOFTI-FHUSYTEZSA-N 1 0 209.333 1.735 10 0 BDAERO C[C@@H](O)CC(C)(C)C[NH2+]CC(C)(C)O ZINC000393638772 343906011 /nfs/dbraw/zinc/90/60/11/343906011.db2.gz QWKIBBVTQFWHCA-SECBINFHSA-N 1 0 203.326 1.144 10 0 BDAERO CNC(=[NH2+])[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000234350230 343943643 /nfs/dbraw/zinc/94/36/43/343943643.db2.gz JPBWMXGVPNBZPY-XVMARJQXSA-N 1 0 204.364 1.809 10 0 BDAERO [NH3+][C@@H]1CCCCC[C@H]1Nc1nncs1 ZINC000069967452 343944960 /nfs/dbraw/zinc/94/49/60/343944960.db2.gz FEVKSHWQWZDCPA-HTQZYQBOSA-N 1 0 212.322 1.610 10 0 BDAERO C[C@]1(Nc2ccc(Cl)cn2)CC[NH2+]C1 ZINC000230747455 347015433 /nfs/dbraw/zinc/01/54/33/347015433.db2.gz AYTZLEKLDYTVCU-JTQLQIEISA-N 1 0 211.696 1.899 10 0 BDAERO CN1CCSC[C@H]1[C@@H]([NH3+])c1ccsc1 ZINC000234352831 343947743 /nfs/dbraw/zinc/94/77/43/343947743.db2.gz OKTHZQIPGAFPJL-UWVGGRQHSA-N 1 0 228.386 1.795 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000312724139 343934090 /nfs/dbraw/zinc/93/40/90/343934090.db2.gz RRWZBWGAVFGMBM-MXWKQRLJSA-N 1 0 215.337 1.144 10 0 BDAERO Cc1nnc(N[C@H](C)C[C@@H](C)[NH3+])s1 ZINC000165733094 343970731 /nfs/dbraw/zinc/97/07/31/343970731.db2.gz SFAFNJNPBRWMHC-PHDIDXHHSA-N 1 0 200.311 1.384 10 0 BDAERO CN(C)c1nc(C[C@@H]2CCC[NH2+]2)cs1 ZINC000165736267 343971383 /nfs/dbraw/zinc/97/13/83/343971383.db2.gz OCQVRYCKIHRYHR-QMMMGPOBSA-N 1 0 211.334 1.504 10 0 BDAERO Nc1cc[nH+]cc1C[C@@H]1CCCC(=O)C1 ZINC000070737996 343954958 /nfs/dbraw/zinc/95/49/58/343954958.db2.gz XKHAEJBUISPARM-VIFPVBQESA-N 1 0 204.273 1.966 10 0 BDAERO C[NH2+]C[C@@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000070798746 343955856 /nfs/dbraw/zinc/95/58/56/343955856.db2.gz PJJRKOUAINJPLD-JTQLQIEISA-N 1 0 214.378 1.423 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)c1nsnc1Cl ZINC000070823759 343956445 /nfs/dbraw/zinc/95/64/45/343956445.db2.gz AZMFEYSNXIIAPC-ZETCQYMHSA-N 1 0 246.767 1.579 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000092784767 343961261 /nfs/dbraw/zinc/96/12/61/343961261.db2.gz YBGBNCPALAOVNV-SNVBAGLBSA-N 1 0 226.345 1.880 10 0 BDAERO C[NH2+][C@@H](C=C(C)C)[C@@H]1CSCCN1C ZINC000234428067 343965883 /nfs/dbraw/zinc/96/58/83/343965883.db2.gz FTVLXXIBOGQCBL-QWRGUYRKSA-N 1 0 214.378 1.588 10 0 BDAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)CC1(C)COC1 ZINC000625792281 344075788 /nfs/dbraw/zinc/07/57/88/344075788.db2.gz TXTVAZZLUDLLTA-RYUDHWBXSA-N 1 0 227.348 1.506 10 0 BDAERO Cc1nc(C[C@@]2([NH3+])CCO[C@H]2C)cs1 ZINC000127248460 344078772 /nfs/dbraw/zinc/07/87/72/344078772.db2.gz RJMGKKWATBIYGN-XVKPBYJWSA-N 1 0 212.318 1.500 10 0 BDAERO c1cnnc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000052831550 259372646 /nfs/dbraw/zinc/37/26/46/259372646.db2.gz QPHWXHGRQUURLC-ULKQDVFKSA-N 1 0 204.277 1.172 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2ccncc2F)C1 ZINC000641304771 362353573 /nfs/dbraw/zinc/35/35/73/362353573.db2.gz UQPRJOWXEHOCFG-SNVBAGLBSA-N 1 0 223.295 1.539 10 0 BDAERO C=CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000616569256 344169990 /nfs/dbraw/zinc/16/99/90/344169990.db2.gz HQTXSRGXFSBQMF-OLZOCXBDSA-N 1 0 248.301 1.573 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736596 344127038 /nfs/dbraw/zinc/12/70/38/344127038.db2.gz SJQJKSBIWVZVSU-GVXVVHGQSA-N 1 0 224.348 1.537 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCC(F)(F)CC1 ZINC000634737647 344136038 /nfs/dbraw/zinc/13/60/38/344136038.db2.gz WJHCFHFHRQRECG-VIFPVBQESA-N 1 0 234.290 1.762 10 0 BDAERO CCCN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737649 344136040 /nfs/dbraw/zinc/13/60/40/344136040.db2.gz WLNKBWQVYUYGES-JQWIXIFHSA-N 1 0 210.321 1.245 10 0 BDAERO COC1(CN2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000234637329 344159798 /nfs/dbraw/zinc/15/97/98/344159798.db2.gz RYVFSOPZWRHRAX-GFCCVEGCSA-N 1 0 224.348 1.336 10 0 BDAERO [NH3+]C1CN(Cc2cc(Br)cs2)C1 ZINC000083634689 344180851 /nfs/dbraw/zinc/18/08/51/344180851.db2.gz IENHVNMEZKSNNB-UHFFFAOYSA-N 1 0 247.161 1.654 10 0 BDAERO CC(C)C[C@H]1CCN(C(=O)C2CC2)C[C@H]1[NH3+] ZINC000616572466 344184315 /nfs/dbraw/zinc/18/43/15/344184315.db2.gz WAKMITHLZPYJGH-VXGBXAGGSA-N 1 0 224.348 1.618 10 0 BDAERO C/C=C(\C)C(=O)N1CC[C@H](CC)[C@H]([NH3+])C1 ZINC000616572641 344184665 /nfs/dbraw/zinc/18/46/65/344184665.db2.gz XDVGIYOSGWNOKZ-LTJOXERKSA-N 1 0 210.321 1.538 10 0 BDAERO C[C@@H]1CCC[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634749750 344193156 /nfs/dbraw/zinc/19/31/56/344193156.db2.gz DQQRAHWRDHUJPX-UHXUPSOCSA-N 1 0 236.359 1.681 10 0 BDAERO CC1(C)C[C@@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634752545 344204983 /nfs/dbraw/zinc/20/49/83/344204983.db2.gz OBOJDCVGDLIMEP-WDMOLILDSA-N 1 0 236.359 1.538 10 0 BDAERO O=C(Nc1cccnc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763271 344267143 /nfs/dbraw/zinc/26/71/43/344267143.db2.gz SIKXRYGAJOLNFS-GWCFXTLKSA-N 1 0 231.299 1.410 10 0 BDAERO CO[C@@H]1CCCC[C@]12[NH2+]C[C@@H](C)S2 ZINC000234831405 344273920 /nfs/dbraw/zinc/27/39/20/344273920.db2.gz IVEVHZRTJNGCDU-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncnc2sccc21 ZINC000385182539 344365570 /nfs/dbraw/zinc/36/55/70/344365570.db2.gz JIGNJZIPFJBUGA-JGVFFNPUSA-N 1 0 234.328 1.617 10 0 BDAERO CC(C)Oc1cncc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385183144 344365695 /nfs/dbraw/zinc/36/56/95/344365695.db2.gz JOSWEEOTOYVJNK-NXEZZACHSA-N 1 0 236.319 1.190 10 0 BDAERO CC(C)Oc1cncc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385183150 344366021 /nfs/dbraw/zinc/36/60/21/344366021.db2.gz JOSWEEOTOYVJNK-VHSXEESVSA-N 1 0 236.319 1.190 10 0 BDAERO CCOc1cc(CC[NH3+])cc(OCC)c1OC ZINC000027758728 344299484 /nfs/dbraw/zinc/29/94/84/344299484.db2.gz ROKMKYBLAPLLER-UHFFFAOYSA-N 1 0 239.315 1.994 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccco1 ZINC000092677474 344301180 /nfs/dbraw/zinc/30/11/80/344301180.db2.gz IDZPPOSGLWFCBR-LLVKDONJSA-N 1 0 236.315 1.836 10 0 BDAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000102246564 344429933 /nfs/dbraw/zinc/42/99/33/344429933.db2.gz MQIQTRXCBIVWTN-AAEUAGOBSA-N 1 0 205.301 1.747 10 0 BDAERO CC(C)Oc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)ncn1 ZINC000385195206 344371427 /nfs/dbraw/zinc/37/14/27/344371427.db2.gz OMLCTNDPVHMWAV-UWVGGRQHSA-N 1 0 236.319 1.190 10 0 BDAERO C[C@@H]1CSC(N[C@H]2CO[C@H](C)C2)=[NH+]1 ZINC000402136127 344434129 /nfs/dbraw/zinc/43/41/29/344434129.db2.gz IQDQPYMXTWDDIH-BWZBUEFSSA-N 1 0 200.307 1.245 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000081981768 537846544 /nfs/dbraw/zinc/84/65/44/537846544.db2.gz SIKRINWNVOTJAT-NXEZZACHSA-N 1 0 233.377 1.716 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000081981185 537846615 /nfs/dbraw/zinc/84/66/15/537846615.db2.gz BAAOWDDLWOIHLI-DTWKUNHWSA-N 1 0 205.323 1.080 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)C(C)C ZINC000081980838 537846654 /nfs/dbraw/zinc/84/66/54/537846654.db2.gz OPOFGDQZESRGRS-MNOVXSKESA-N 1 0 233.377 1.730 10 0 BDAERO CC(C)Oc1c(N)cccc1N1CC[NH+](C)CC1 ZINC000150327087 344455299 /nfs/dbraw/zinc/45/52/99/344455299.db2.gz UOQNKEMEJXYTRG-UHFFFAOYSA-N 1 0 249.358 1.808 10 0 BDAERO CC[NH2+][C@@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000227556297 344507959 /nfs/dbraw/zinc/50/79/59/344507959.db2.gz GNOVRVIGXJVWSM-SFYZADRCSA-N 1 0 200.282 1.262 10 0 BDAERO C[C@H]([C@H](C)[NH3+])N1CCN(c2ccccc2)CC1 ZINC000381507379 344514965 /nfs/dbraw/zinc/51/49/65/344514965.db2.gz LUIUTGUOUSKTQM-QWHCGFSZSA-N 1 0 233.359 1.544 10 0 BDAERO Cc1cc([C@]2(O)C[C@@H](C)[N@@H+](C)C2)cs1 ZINC000127604689 344573457 /nfs/dbraw/zinc/57/34/57/344573457.db2.gz JTTHAFPQYLSRGR-KCJUWKMLSA-N 1 0 211.330 1.968 10 0 BDAERO C[C@](F)(C[NH3+])Cc1cn2ccsc2n1 ZINC000158254542 344575818 /nfs/dbraw/zinc/57/58/18/344575818.db2.gz KEKLDUSKMLFKNX-SECBINFHSA-N 1 0 213.281 1.625 10 0 BDAERO C[C@@H]1SCC[C@H]1[NH2+]CC1CCOCC1 ZINC000220670477 344567594 /nfs/dbraw/zinc/56/75/94/344567594.db2.gz NYTGOWFJVVNPSS-GXSJLCMTSA-N 1 0 215.362 1.897 10 0 BDAERO C[C@@H]1C[C@@H](NC(=[NH2+])NCc2ccccc2)CO1 ZINC000401524621 362418731 /nfs/dbraw/zinc/41/87/31/362418731.db2.gz SQQGXYJYLICLMM-ZYHUDNBSSA-N 1 0 233.315 1.478 10 0 BDAERO CC[NH2+][C@@H]1CCN(C2CCSCC2)C1 ZINC000220775216 344581311 /nfs/dbraw/zinc/58/13/11/344581311.db2.gz KPHFJVWHKQFSKZ-SNVBAGLBSA-N 1 0 214.378 1.566 10 0 BDAERO CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000249822329 362462069 /nfs/dbraw/zinc/46/20/69/362462069.db2.gz OHLADGAKEZCEQQ-WDEREUQCSA-N 1 0 228.336 1.010 10 0 BDAERO CC1(C)C[C@H]1[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000400377090 537853469 /nfs/dbraw/zinc/85/34/69/537853469.db2.gz JFQONVHFUFXZPI-SKDRFNHKSA-N 1 0 205.305 1.817 10 0 BDAERO [NH3+]Cc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000396108003 344603928 /nfs/dbraw/zinc/60/39/28/344603928.db2.gz AOZCENIHVFHKNI-UHFFFAOYSA-N 1 0 236.149 1.952 10 0 BDAERO CC(C)C(=O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000127786395 344651373 /nfs/dbraw/zinc/65/13/73/344651373.db2.gz SVHDYOZQMLIFLA-PHIMTYICSA-N 1 0 212.337 1.236 10 0 BDAERO C[C@@]1([C@H]2[NH2+]CCc3nc[nH]c32)CCCS1 ZINC000400393949 537854143 /nfs/dbraw/zinc/85/41/43/537854143.db2.gz NQYQXSYNPWOKLK-QWRGUYRKSA-N 1 0 223.345 1.882 10 0 BDAERO [NH3+][C@@H]1CCC2(C[C@@H]1OC1CCC1)OCCO2 ZINC000050520172 344705630 /nfs/dbraw/zinc/70/56/30/344705630.db2.gz FXYOOEFEDQLQCC-MNOVXSKESA-N 1 0 227.304 1.178 10 0 BDAERO CSC1(C[N@@H+]2C[C@H](C)NC[C@@H]2C)CC1 ZINC000235063763 344760138 /nfs/dbraw/zinc/76/01/38/344760138.db2.gz XBLARNYUKRTPEY-UWVGGRQHSA-N 1 0 214.378 1.564 10 0 BDAERO N#Cc1csc(C[NH2+][C@H]2CCC[C@@H](O)C2)n1 ZINC000382030541 347072890 /nfs/dbraw/zinc/07/28/90/347072890.db2.gz UDUUCDRTPWTFMC-WCBMZHEXSA-N 1 0 237.328 1.408 10 0 BDAERO CC(C)C1CC2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400423456 537857132 /nfs/dbraw/zinc/85/71/32/537857132.db2.gz YXYUNFOFSRCDGV-UHFFFAOYSA-N 1 0 205.305 1.817 10 0 BDAERO CC(C)SCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000562975678 323077704 /nfs/dbraw/zinc/07/77/04/323077704.db2.gz RPDVLQDCBAQLIR-LLVKDONJSA-N 1 0 244.404 1.729 10 0 BDAERO Brc1csc(COC2C[NH2+]C2)c1 ZINC000062809974 347082415 /nfs/dbraw/zinc/08/24/15/347082415.db2.gz DRSRMBBOGWAVML-UHFFFAOYSA-N 1 0 248.145 1.999 10 0 BDAERO CCOC(=O)c1ccc(N2C[C@@H]([NH3+])C[C@@H]2C)nc1 ZINC000600962838 344836760 /nfs/dbraw/zinc/83/67/60/344836760.db2.gz NMTRJDCZDQRZBY-ONGXEEELSA-N 1 0 249.314 1.184 10 0 BDAERO C[C@H]1CC=C([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675053424 537864369 /nfs/dbraw/zinc/86/43/69/537864369.db2.gz NQIZPVFQIQEZMW-IONNQARKSA-N 1 0 223.238 1.985 10 0 BDAERO C[C@@H]1CC=C([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675053419 537864563 /nfs/dbraw/zinc/86/45/63/537864563.db2.gz NQIZPVFQIQEZMW-APPZFPTMSA-N 1 0 223.238 1.985 10 0 BDAERO Cc1ccc(NC[C@H]([NH3+])c2ccccc2)nn1 ZINC000062838407 178761095 /nfs/dbraw/zinc/76/10/95/178761095.db2.gz UFJMLEHDWASSSM-LBPRGKRZSA-N 1 0 228.299 1.897 10 0 BDAERO C[C@@H]1C[N@H+](C)CCN1c1cnnc(Cl)c1 ZINC000235318910 344881629 /nfs/dbraw/zinc/88/16/29/344881629.db2.gz HQYRCTCUYPJKJS-MRVPVSSYSA-N 1 0 226.711 1.270 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000082394447 344906357 /nfs/dbraw/zinc/90/63/57/344906357.db2.gz GFYSUNGNLGZOLE-DTWKUNHWSA-N 1 0 212.318 1.536 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(O)c2ccccc21 ZINC000044233897 344988963 /nfs/dbraw/zinc/98/89/63/344988963.db2.gz IOBFPSXJRLBXBD-LBPRGKRZSA-N 1 0 217.268 1.928 10 0 BDAERO CCC1CCC(CN2C[C@H]([NH3+])CC2=O)CC1 ZINC000045007683 168514513 /nfs/dbraw/zinc/51/45/13/168514513.db2.gz DJGWSKAVBDTAIW-HTAVTVPLSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1cc(=O)n(C[C@@H](C)[NH3+])c2ccccc12 ZINC000011849644 345032951 /nfs/dbraw/zinc/03/29/51/345032951.db2.gz YRVVXTYEXJQNJC-SNVBAGLBSA-N 1 0 216.284 1.657 10 0 BDAERO Cc1cnc(C[NH3+])cc1OC(F)(F)F ZINC000238520749 345067674 /nfs/dbraw/zinc/06/76/74/345067674.db2.gz QSPMHWGUMZJNOA-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO CC[N@@H+]1CC[C@H](Nc2cc(C3CC3)ncn2)C1 ZINC000641636612 362568567 /nfs/dbraw/zinc/56/85/67/362568567.db2.gz SOTFLVWHXXFXSK-NSHDSACASA-N 1 0 232.331 1.860 10 0 BDAERO N[C@@H](C[NH3+])c1c(Cl)cncc1Cl ZINC000044472409 345090852 /nfs/dbraw/zinc/09/08/52/345090852.db2.gz UMTLLUASPZQOSO-LURJTMIESA-N 1 0 206.076 1.347 10 0 BDAERO Cc1ccc(SC[C@H]2CC[NH2+]C2)nn1 ZINC000095069165 178828559 /nfs/dbraw/zinc/82/85/59/178828559.db2.gz NUZDFTPEFMJVFX-VIFPVBQESA-N 1 0 209.318 1.487 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634966808 345139578 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/nfs/dbraw/zinc/85/59/27/178855927.db2.gz GPWBSSKXPUUZQA-TZMCWYRMSA-N 1 0 234.343 1.716 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1nnc(C)c(C)n1 ZINC000158983393 345396935 /nfs/dbraw/zinc/39/69/35/345396935.db2.gz AMQMRWLUIWZOMW-JTQLQIEISA-N 1 0 223.324 1.418 10 0 BDAERO C[NH2+][C@@H](CO)c1cc(F)ccc1Br ZINC000229297241 345484279 /nfs/dbraw/zinc/48/42/79/345484279.db2.gz FAHDLJLEORKEKO-VIFPVBQESA-N 1 0 248.095 1.841 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2nccs2)CC1 ZINC000252890353 345592526 /nfs/dbraw/zinc/59/25/26/345592526.db2.gz HLDPGSXMAKRBJC-KYZUINATSA-N 1 0 239.344 1.847 10 0 BDAERO CCCc1nnc(NCC[N@H+](C)CC)s1 ZINC000091461474 345594099 /nfs/dbraw/zinc/59/40/99/345594099.db2.gz URFUAEQTBOLPDL-UHFFFAOYSA-N 1 0 228.365 1.854 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccnc1 ZINC000105962886 345690168 /nfs/dbraw/zinc/69/01/68/345690168.db2.gz TVVUDFKGUVNOLM-OCCSQVGLSA-N 1 0 231.343 1.750 10 0 BDAERO CC(F)(F)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000214740074 345741791 /nfs/dbraw/zinc/74/17/91/345741791.db2.gz DILYTLSVBYLUKO-SECBINFHSA-N 1 0 206.280 1.763 10 0 BDAERO CC(C)(C[NH3+])S(=O)(=O)CCCC(F)(F)F ZINC000113899568 345755087 /nfs/dbraw/zinc/75/50/87/345755087.db2.gz BFJKRIZPVMQJFQ-UHFFFAOYSA-N 1 0 247.282 1.481 10 0 BDAERO N#Cc1c(OC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000114240146 345755940 /nfs/dbraw/zinc/75/59/40/345755940.db2.gz DJFXUDHQYOLBEW-VIFPVBQESA-N 1 0 247.254 1.597 10 0 BDAERO C[C@](O)(C[NH3+])c1cccc(Br)c1F ZINC000235736107 345817094 /nfs/dbraw/zinc/81/70/94/345817094.db2.gz YWVQGVPBADWTCH-VIFPVBQESA-N 1 0 248.095 1.754 10 0 BDAERO C[C@H]1C[C@H](NC2=[NH+]CCS2)CCO1 ZINC000235733470 345817228 /nfs/dbraw/zinc/81/72/28/345817228.db2.gz OKXAFKTZJYLSAJ-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO [NH3+][C@H]1CC[C@H](Nc2nc3cccnc3[nH]2)CC1 ZINC000257352893 345774126 /nfs/dbraw/zinc/77/41/26/345774126.db2.gz OAQJUUJUPMXEHK-KYZUINATSA-N 1 0 231.303 1.640 10 0 BDAERO O[C@H]1CC[C@H]([NH2+]Cc2nccnc2Cl)CC1 ZINC000257352634 345774556 /nfs/dbraw/zinc/77/45/56/345774556.db2.gz MHXKCERGJUEUAY-KYZUINATSA-N 1 0 241.722 1.523 10 0 BDAERO COc1cccc2c1OC[C@@H]1[NH2+]CCC=C21 ZINC000034300658 345821174 /nfs/dbraw/zinc/82/11/74/345821174.db2.gz UMAYYRUJBGIGGX-NSHDSACASA-N 1 0 217.268 1.833 10 0 BDAERO C[N@@H+]1C[C@](C)(O)[C@](C)(O)C[C@@H]1c1ccccc1 ZINC000033886337 345786898 /nfs/dbraw/zinc/78/68/98/345786898.db2.gz ZHQCINFMVJHYIV-MCIONIFRSA-N 1 0 235.327 1.565 10 0 BDAERO CC[C@@H](C)Nc1cc(N2CC[NH2+]CC2)ncn1 ZINC000258904104 345787235 /nfs/dbraw/zinc/78/72/35/345787235.db2.gz GSUBJWREUDDHGW-SNVBAGLBSA-N 1 0 235.335 1.097 10 0 BDAERO O=C1CCCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000061711711 345846102 /nfs/dbraw/zinc/84/61/02/345846102.db2.gz BZGOWTAIUAMUKP-MNOVXSKESA-N 1 0 211.305 1.202 10 0 BDAERO O=C1C[C@@H](c2ccccc2)N1C1CC[NH2+]CC1 ZINC000141961613 345861852 /nfs/dbraw/zinc/86/18/52/345861852.db2.gz OLBHBWZDAZKFJL-ZDUSSCGKSA-N 1 0 230.311 1.712 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000250260741 537915242 /nfs/dbraw/zinc/91/52/42/537915242.db2.gz JTDINKSPWFVDQX-STQMWFEESA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)(C)Oc1cccnc1N1CC[NH2+]CC1 ZINC000034417031 345828546 /nfs/dbraw/zinc/82/85/46/345828546.db2.gz HMURAIOIKHOHKL-UHFFFAOYSA-N 1 0 235.331 1.669 10 0 BDAERO CCCCCCCC(=O)OC[C@@H]1C[NH2+]CCN1 ZINC000141041211 345831546 /nfs/dbraw/zinc/83/15/46/345831546.db2.gz UBUBUTKBSQXNOL-LBPRGKRZSA-N 1 0 242.363 1.452 10 0 BDAERO c1cc2c(ccnc2NC2C[NH2+]C2)s1 ZINC000085256643 345929115 /nfs/dbraw/zinc/92/91/15/345929115.db2.gz HXTGPOVLHGBHHE-UHFFFAOYSA-N 1 0 205.286 1.680 10 0 BDAERO C1CCc2c(n[nH]c2C2CC[NH2+]CC2)C1 ZINC000080865596 345899148 /nfs/dbraw/zinc/89/91/48/345899148.db2.gz GCURBIOMCCEKBN-UHFFFAOYSA-N 1 0 205.305 1.756 10 0 BDAERO Cc1nc(C(=O)N2CCC([NH3+])CC2)cs1 ZINC000082264599 345906187 /nfs/dbraw/zinc/90/61/87/345906187.db2.gz AOVWDZHLSIOPAQ-UHFFFAOYSA-N 1 0 225.317 1.015 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000162421079 201856153 /nfs/dbraw/zinc/85/61/53/201856153.db2.gz KURFFDLFFCXIKD-MNOVXSKESA-N 1 0 237.351 1.922 10 0 BDAERO CCn1c2ncccc2nc1[C@@H]1CCC[NH2+]C1 ZINC000082542323 345909581 /nfs/dbraw/zinc/90/95/81/345909581.db2.gz QCAPUWNZKOTISY-SNVBAGLBSA-N 1 0 230.315 1.918 10 0 BDAERO Cn1c([C@H]2CCC[NH2+]C2)nc2cccnc21 ZINC000082535449 345909639 /nfs/dbraw/zinc/90/96/39/345909639.db2.gz DDWMGKYIBQHALJ-VIFPVBQESA-N 1 0 216.288 1.435 10 0 BDAERO C[C@@H](c1ccccn1)N1CC[NH2+]C[C@H]1C ZINC000083086728 345914253 /nfs/dbraw/zinc/91/42/53/345914253.db2.gz UHJFONMPGYNIRF-MNOVXSKESA-N 1 0 205.305 1.436 10 0 BDAERO C[C@@H](c1nccs1)N1CC[NH2+]C[C@H]1C ZINC000083087702 345914546 /nfs/dbraw/zinc/91/45/46/345914546.db2.gz ONHBGHVSIPOVLY-BDAKNGLRSA-N 1 0 211.334 1.498 10 0 BDAERO Cc1cc(Cl)nc(Cl)c1NC(=O)C[NH3+] ZINC000235804393 345916364 /nfs/dbraw/zinc/91/63/64/345916364.db2.gz HYTNQLYOCSBZLC-UHFFFAOYSA-N 1 0 234.086 1.594 10 0 BDAERO C[C@H](CCN1CC([NH3+])C1)c1ccccc1 ZINC000083634902 345919403 /nfs/dbraw/zinc/91/94/03/345919403.db2.gz WKUCUEMSALDHTE-LLVKDONJSA-N 1 0 204.317 1.823 10 0 BDAERO CC1CC(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000381453968 345930680 /nfs/dbraw/zinc/93/06/80/345930680.db2.gz IQGHHLWUNVAKDY-DJRKXVOMSA-N 1 0 210.321 1.228 10 0 BDAERO [NH3+][C@@H]1CCc2nc(C3CCCC3)[nH]c2C1 ZINC000083986030 345921355 /nfs/dbraw/zinc/92/13/55/345921355.db2.gz OMTJTLYMTAWVKC-SECBINFHSA-N 1 0 205.305 1.883 10 0 BDAERO CNc1cc(NCCOC)nc(C2CC2)[nH+]1 ZINC000087908927 345940388 /nfs/dbraw/zinc/94/03/88/345940388.db2.gz YGQVTTHMRYMVHC-UHFFFAOYSA-N 1 0 222.292 1.454 10 0 BDAERO CCCn1c2ncccc2nc1[C@H]1CC[NH2+]C1 ZINC000088871598 345945733 /nfs/dbraw/zinc/94/57/33/345945733.db2.gz WGPSQYXHSVPLFS-JTQLQIEISA-N 1 0 230.315 1.918 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H](S(=O)(=O)C(C)C)C1 ZINC000082818628 537940188 /nfs/dbraw/zinc/94/01/88/537940188.db2.gz ZSOWRPZFHZCKFP-VHSXEESVSA-N 1 0 219.350 1.340 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000153823139 537943106 /nfs/dbraw/zinc/94/31/06/537943106.db2.gz BEIIVTSJJRKXEA-JQWIXIFHSA-N 1 0 213.321 1.306 10 0 BDAERO Cc1nc(C[C@@H](O)[C@@H]2CCC[NH2+]2)cs1 ZINC000235935125 346172395 /nfs/dbraw/zinc/17/23/95/346172395.db2.gz WRLVRIRHYHKOSH-VHSXEESVSA-N 1 0 212.318 1.107 10 0 BDAERO CC[C@H](O)[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061932729 346177026 /nfs/dbraw/zinc/17/70/26/346177026.db2.gz PCWDUSZGWYHZHH-VWYCJHECSA-N 1 0 201.310 1.257 10 0 BDAERO CCC[NH+]1CCC([C@@H](C)S(=O)(=O)NC)CC1 ZINC000669375391 537955745 /nfs/dbraw/zinc/95/57/45/537955745.db2.gz IWFIKYBOXZOHHG-SNVBAGLBSA-N 1 0 248.392 1.046 10 0 BDAERO [NH3+]C1CC(Nc2ccc(Br)nc2)C1 ZINC000236170530 346204125 /nfs/dbraw/zinc/20/41/25/346204125.db2.gz SKILOFYZVWKXHX-UHFFFAOYSA-N 1 0 242.120 1.746 10 0 BDAERO [NH3+]Cc1ccncc1Sc1ncco1 ZINC000236173959 346205207 /nfs/dbraw/zinc/20/52/07/346205207.db2.gz COMJUUUWUNQFLA-UHFFFAOYSA-N 1 0 207.258 1.680 10 0 BDAERO [NH3+]C1(CN2C(=O)c3ccccc3C2=O)CCC1 ZINC000236231013 346213458 /nfs/dbraw/zinc/21/34/58/346213458.db2.gz ILPZNDLUMMFNOM-UHFFFAOYSA-N 1 0 230.267 1.164 10 0 BDAERO Cc1cccc(-c2nc(CCC[NH3+])no2)n1 ZINC000054139182 178995888 /nfs/dbraw/zinc/99/58/88/178995888.db2.gz QSVYAIBBNRBZNA-UHFFFAOYSA-N 1 0 218.260 1.331 10 0 BDAERO Cn1nnc(Br)c1[C@@H]1CC[C@H]1C[NH3+] ZINC000236124947 346194001 /nfs/dbraw/zinc/19/40/01/346194001.db2.gz AOANQVWLXWDLPS-NTSWFWBYSA-N 1 0 245.124 1.030 10 0 BDAERO Fc1cc(Br)cnc1NC1C[NH2+]C1 ZINC000236136985 346197352 /nfs/dbraw/zinc/19/73/52/346197352.db2.gz CIVYWLLMCBNYQV-UHFFFAOYSA-N 1 0 246.083 1.367 10 0 BDAERO Cc1cccc(C(=O)N(C)C[C@@H](C)C[NH3+])c1 ZINC000042454958 179005057 /nfs/dbraw/zinc/00/50/57/179005057.db2.gz XLNJHBJWKGQCJW-NSHDSACASA-N 1 0 220.316 1.662 10 0 BDAERO Cc1cccc(C(=O)N(C)C[C@@H](C)C[NH3+])n1 ZINC000042455024 179005059 /nfs/dbraw/zinc/00/50/59/179005059.db2.gz JURFEVIRJPRLNW-VIFPVBQESA-N 1 0 221.304 1.057 10 0 BDAERO Nc1ncc([C@@H](F)[C@H]2CCC[NH2+]2)s1 ZINC000236383808 346233249 /nfs/dbraw/zinc/23/32/49/346233249.db2.gz XWEVMEIHINARRZ-VDTYLAMSSA-N 1 0 201.270 1.488 10 0 BDAERO Nc1cc(Cl)c(NCC[NH3+])c(Cl)c1 ZINC000236267507 346217910 /nfs/dbraw/zinc/21/79/10/346217910.db2.gz GVTYFFCTDVOVHQ-UHFFFAOYSA-N 1 0 220.103 1.946 10 0 BDAERO Cc1cccc(=O)n1CC1CC[NH2+]CC1 ZINC000041630805 179003170 /nfs/dbraw/zinc/00/31/70/179003170.db2.gz GYULBIQHTVMCIJ-UHFFFAOYSA-N 1 0 206.289 1.156 10 0 BDAERO C[NH2+]C[C@H](C)c1nc2c(s1)COCC2 ZINC000167378085 346242190 /nfs/dbraw/zinc/24/21/90/346242190.db2.gz MWAJMZZZXDVCKR-ZETCQYMHSA-N 1 0 212.318 1.539 10 0 BDAERO C[C@H]([NH3+])CNc1c(F)cccc1[N+](=O)[O-] ZINC000389410495 346254260 /nfs/dbraw/zinc/25/42/60/346254260.db2.gz ORSIVKIVMNFCJB-LURJTMIESA-N 1 0 213.212 1.493 10 0 BDAERO [NH3+][C@@H](CCO)c1ccccc1OC(F)F ZINC000052126852 346261686 /nfs/dbraw/zinc/26/16/86/346261686.db2.gz MASXUBBDCPBLFC-QMMMGPOBSA-N 1 0 217.215 1.670 10 0 BDAERO Cc1nnc(NCC[C@@H]2CCC[NH2+]2)s1 ZINC000159286771 349947631 /nfs/dbraw/zinc/94/76/31/349947631.db2.gz JYJDUZIVYGSUOP-QMMMGPOBSA-N 1 0 212.322 1.401 10 0 BDAERO CC[C@@H](C)n1ncc2c1nc(C)[nH+]c2NN ZINC000669377472 537964893 /nfs/dbraw/zinc/96/48/93/537964893.db2.gz QWHKCKPAHQXNCI-ZCFIWIBFSA-N 1 0 220.280 1.391 10 0 BDAERO C[C@@H](C1CC1)n1ncc2c1nc[nH+]c2NN ZINC000669377806 537964971 /nfs/dbraw/zinc/96/49/71/537964971.db2.gz XGGYAMFQBLOXLH-LURJTMIESA-N 1 0 218.264 1.083 10 0 BDAERO CC(C)[C@H](C)C(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669378232 537965768 /nfs/dbraw/zinc/96/57/68/537965768.db2.gz AGENHVIPMVZCLL-KWQFWETISA-N 1 0 236.306 1.767 10 0 BDAERO Cc1cccc(C)c1C[NH2+]CCN(C)C ZINC000083344894 179037012 /nfs/dbraw/zinc/03/70/12/179037012.db2.gz TVTAYKAQASPHTM-UHFFFAOYSA-N 1 0 206.333 1.955 10 0 BDAERO Cc1cccc(C)c1OCC[C@@H](O)C[NH3+] ZINC000019668536 179046074 /nfs/dbraw/zinc/04/60/74/179046074.db2.gz WIDNFYORKXCELL-LLVKDONJSA-N 1 0 209.289 1.392 10 0 BDAERO CC(C)CNC(=O)N(C)CC[NH2+]C(C)C ZINC000669378560 537968712 /nfs/dbraw/zinc/96/87/12/537968712.db2.gz HABWPOCXAXSIQR-UHFFFAOYSA-N 1 0 215.341 1.282 10 0 BDAERO CCC(C)(C)NC(=O)N(CC[NH2+]C)C(C)C ZINC000669378323 537968968 /nfs/dbraw/zinc/96/89/68/537968968.db2.gz AAYAPCNUEWNAMG-UHFFFAOYSA-N 1 0 229.368 1.814 10 0 BDAERO Cc1cccc(CC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000041211767 179052737 /nfs/dbraw/zinc/05/27/37/179052737.db2.gz JIYVDFZVHCSBAA-GFCCVEGCSA-N 1 0 203.285 1.859 10 0 BDAERO CCC[C@H](C)C(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669378632 537970424 /nfs/dbraw/zinc/97/04/24/537970424.db2.gz KOFXOHUQXMMYTO-GZMMTYOYSA-N 1 0 236.306 1.911 10 0 BDAERO C[C@]1(CNc2nccs2)CCC[NH2+]C1 ZINC000160008653 346438383 /nfs/dbraw/zinc/43/83/83/346438383.db2.gz GHNYNEVRUJBJPH-JTQLQIEISA-N 1 0 211.334 1.945 10 0 BDAERO CC1CC(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000381616766 346441070 /nfs/dbraw/zinc/44/10/70/346441070.db2.gz VTVVSSXKZIRFCU-WYNUPADASA-N 1 0 210.321 1.241 10 0 BDAERO Cc1cccc(C[NH2+]CC2CCOCC2)n1 ZINC000052172684 179089619 /nfs/dbraw/zinc/08/96/19/179089619.db2.gz AWMPARJABIZYOT-UHFFFAOYSA-N 1 0 220.316 1.906 10 0 BDAERO O=C(CC1CC1)N1CCC[NH2+]CC12CC2 ZINC000725241721 537980867 /nfs/dbraw/zinc/98/08/67/537980867.db2.gz NMYVRZXRGJYVJE-UHFFFAOYSA-N 1 0 208.305 1.141 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241966 537981116 /nfs/dbraw/zinc/98/11/16/537981116.db2.gz YDGBOLZOQSIEHR-NSHDSACASA-N 1 0 239.363 1.568 10 0 BDAERO [NH3+]Cc1cc(CN2CCC2)c(F)cc1F ZINC000669379854 537982419 /nfs/dbraw/zinc/98/24/19/537982419.db2.gz LANNNUJPNWVZBQ-UHFFFAOYSA-N 1 0 212.243 1.629 10 0 BDAERO COC[C@@H](C)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000187119054 346557691 /nfs/dbraw/zinc/55/76/91/346557691.db2.gz LFBPVJITCPGSGD-NSHDSACASA-N 1 0 237.347 1.872 10 0 BDAERO Cc1cccc(N(C)C[C@@]2(C[NH3+])CCOC2)c1 ZINC000051252489 179115671 /nfs/dbraw/zinc/11/56/71/179115671.db2.gz IMSZXXWUULAAMA-AWEZNQCLSA-N 1 0 234.343 1.797 10 0 BDAERO C[N@H+](C[C@H](O)CCC1(O)CCC1)C1CC1 ZINC000669379713 537982677 /nfs/dbraw/zinc/98/26/77/537982677.db2.gz KPKFSCSNUMYHGG-LLVKDONJSA-N 1 0 213.321 1.137 10 0 BDAERO [NH3+][C@H](Cc1ccncc1)[C@H]1CCSC1 ZINC000163846017 346580015 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/nfs/dbraw/zinc/98/50/25/537985025.db2.gz IKFZILBCICFSNO-TUAOUCFPSA-N 1 0 210.321 1.372 10 0 BDAERO Clc1csc(OC2CC[NH2+]CC2)n1 ZINC000165378073 346650236 /nfs/dbraw/zinc/65/02/36/346650236.db2.gz IADMNMPUVPJDPI-UHFFFAOYSA-N 1 0 218.709 1.927 10 0 BDAERO Cc1nc(C(N)=[NH2+])ccc1Br ZINC000585672410 346652022 /nfs/dbraw/zinc/65/20/22/346652022.db2.gz ADZYNERJWZUQKD-UHFFFAOYSA-N 1 0 214.066 1.437 10 0 BDAERO Cc1cccc(NC(=O)C[NH2+]CCN(C)C)c1 ZINC000020057010 179128448 /nfs/dbraw/zinc/12/84/48/179128448.db2.gz DVISJTBAVPRNIQ-UHFFFAOYSA-N 1 0 235.331 1.085 10 0 BDAERO Cc1cccc(NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC000144909101 179148634 /nfs/dbraw/zinc/14/86/34/179148634.db2.gz HYZPAWFZXYGDNF-ZDUSSCGKSA-N 1 0 249.358 1.649 10 0 BDAERO C[C@@H]([NH3+])CC(=O)Nc1cnccc1Cl ZINC000166740372 346687916 /nfs/dbraw/zinc/68/79/16/346687916.db2.gz RJGNJIOITFFXFP-ZCFIWIBFSA-N 1 0 213.668 1.411 10 0 BDAERO Cc1cccc(NC[C@@H]2CCC[C@@H]2O)[nH+]1 ZINC000084233716 179147369 /nfs/dbraw/zinc/14/73/69/179147369.db2.gz ZXRZKODHWPYZOS-QWRGUYRKSA-N 1 0 206.289 1.963 10 0 BDAERO C[C@H]1CC[C@]2(C1)[NH2+]CCc1ncn(C)c12 ZINC000725242721 537986110 /nfs/dbraw/zinc/98/61/10/537986110.db2.gz MUSNDBBYHNIXQJ-JOYOIKCWSA-N 1 0 205.305 1.581 10 0 BDAERO Cc1cccc(OCCN2C[C@@H](C[NH3+])CC2=O)c1 ZINC000041301308 179168459 /nfs/dbraw/zinc/16/84/59/179168459.db2.gz YXNRZDLFEKMFPF-GFCCVEGCSA-N 1 0 248.326 1.181 10 0 BDAERO CCC[C@@H](OC)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242706 537986692 /nfs/dbraw/zinc/98/66/92/537986692.db2.gz LTVZNSQCAFWOLN-GHMZBOCLSA-N 1 0 223.320 1.422 10 0 BDAERO [NH3+][C@H]1CC[C@H](OCc2nccs2)CC1 ZINC000299892123 347150281 /nfs/dbraw/zinc/15/02/81/347150281.db2.gz NRRZOFDRHKUOSW-KYZUINATSA-N 1 0 212.318 1.930 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)C1CCCCC1 ZINC000390602619 259394512 /nfs/dbraw/zinc/39/45/12/259394512.db2.gz BPSBIAQTPVURSV-ONGXEEELSA-N 1 0 226.320 1.653 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)C1CC1 ZINC000165304182 133648522 /nfs/dbraw/zinc/64/85/22/133648522.db2.gz VPAFITMQECIRRO-MFKMUULPSA-N 1 0 224.348 1.238 10 0 BDAERO c1nc2c([nH]1)[C@@]1(C[C@@H]3CCC[C@@H]31)[NH2+]CC2 ZINC000725242902 537987618 /nfs/dbraw/zinc/98/76/18/537987618.db2.gz VWRAIKALEBQLGH-AUTRQRHGSA-N 1 0 203.289 1.571 10 0 BDAERO O[C@@H]1C[NH2+]CC[C@@]1(F)c1ccc(Cl)cc1 ZINC000059716018 347229976 /nfs/dbraw/zinc/22/99/76/347229976.db2.gz QXQMFLLHKJZHDX-GHMZBOCLSA-N 1 0 229.682 1.859 10 0 BDAERO CC[S@](=O)[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000250246690 362796710 /nfs/dbraw/zinc/79/67/10/362796710.db2.gz PMOOFOHTZFOKQE-GYSYKLTISA-N 1 0 209.314 1.380 10 0 BDAERO CN(Cc1ccccc1)[C@H](C[NH3+])[C@H]1CCCO1 ZINC000250237996 362797086 /nfs/dbraw/zinc/79/70/86/362797086.db2.gz PFQYGIUWCFMNRW-ZIAGYGMSSA-N 1 0 234.343 1.625 10 0 BDAERO CC[S@](=O)[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C ZINC000250258644 362798037 /nfs/dbraw/zinc/79/80/37/362798037.db2.gz XYEYTPDYWNGJFP-RULNRJAQSA-N 1 0 217.378 1.922 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cncc(O)c2)C1 ZINC000109040849 347253388 /nfs/dbraw/zinc/25/33/88/347253388.db2.gz IOKWRDHWARJROG-LLVKDONJSA-N 1 0 249.314 1.001 10 0 BDAERO CCOC(=O)N[C@@H]1CC[C@@H](C)[NH2+][C@H]1C ZINC000250464975 362804933 /nfs/dbraw/zinc/80/49/33/362804933.db2.gz DAUZQSXKCOOWGM-HRDYMLBCSA-N 1 0 200.282 1.262 10 0 BDAERO C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCC(=O)C1 ZINC000250487493 362806170 /nfs/dbraw/zinc/80/61/70/362806170.db2.gz XBGNHESYLIYDFR-QWRGUYRKSA-N 1 0 211.305 1.466 10 0 BDAERO c1cc2c(s1)CC[NH2+][C@@]21C[C@H]2COC[C@@H]21 ZINC000725242890 537988647 /nfs/dbraw/zinc/98/86/47/537988647.db2.gz SRHFOJQKGJYICU-PEXQALLHSA-N 1 0 221.325 1.755 10 0 BDAERO Cc1cccc([C@H](C[NH3+])n2cccn2)c1 ZINC000042967722 179199983 /nfs/dbraw/zinc/19/99/83/179199983.db2.gz BMMNNOFSRGVLJL-LBPRGKRZSA-N 1 0 201.273 1.740 10 0 BDAERO Cc1cccc([C@H](C[NH3+])n2cncn2)c1 ZINC000042967732 179200158 /nfs/dbraw/zinc/20/01/58/179200158.db2.gz IGSPWKYSINIRRW-NSHDSACASA-N 1 0 202.261 1.135 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000310890299 347319250 /nfs/dbraw/zinc/31/92/50/347319250.db2.gz UHMIZPAKTBUEEH-BFHYXJOUSA-N 1 0 247.338 1.408 10 0 BDAERO CC[C@H]1CCN(C(=O)CC(C)C)C[C@H]1[NH3+] ZINC000616568629 347451033 /nfs/dbraw/zinc/45/10/33/347451033.db2.gz CEFZGIKWTUSQDM-WDEREUQCSA-N 1 0 212.337 1.618 10 0 BDAERO Cc1cccc2nc3n(c(=O)c12)CC[C@@H]3[NH3+] ZINC000072266493 179232128 /nfs/dbraw/zinc/23/21/28/179232128.db2.gz FLUIPWPEAQUPOY-QMMMGPOBSA-N 1 0 215.256 1.108 10 0 BDAERO CC[C@H](C[NH3+])[C@]1(O)C[C@@H](C)O[C@@H](C)C1 ZINC000251137457 362839352 /nfs/dbraw/zinc/83/93/52/362839352.db2.gz ZTCYIXSDMVIVKN-YTWAJWBKSA-N 1 0 201.310 1.290 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(CC(C)C)CC(C)C ZINC000054072529 347429381 /nfs/dbraw/zinc/42/93/81/347429381.db2.gz KZYNKJQABAAYBG-LLVKDONJSA-N 1 0 214.353 1.735 10 0 BDAERO CC[C@H]1CCN(C(=O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000616568377 347446664 /nfs/dbraw/zinc/44/66/64/347446664.db2.gz BELXQOIASNONEZ-UWVGGRQHSA-N 1 0 212.337 1.618 10 0 BDAERO O=[S@@](c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000216456684 347492577 /nfs/dbraw/zinc/49/25/77/347492577.db2.gz VEISMPMROMGSDK-RMLUDKJBSA-N 1 0 229.732 1.810 10 0 BDAERO CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616568901 347473679 /nfs/dbraw/zinc/47/36/79/347473679.db2.gz DZJBCOQXONQGFA-GHMZBOCLSA-N 1 0 212.337 1.537 10 0 BDAERO C[NH+]1CCC(Oc2cc(F)ncn2)CC1 ZINC000149906034 347553579 /nfs/dbraw/zinc/55/35/79/347553579.db2.gz DHEXBGQAMMCJBY-UHFFFAOYSA-N 1 0 211.240 1.089 10 0 BDAERO Cc1ccccc1CCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000094183653 179266188 /nfs/dbraw/zinc/26/61/88/179266188.db2.gz GAMQLQXVHVQLPH-KBPBESRZSA-N 1 0 246.354 1.781 10 0 BDAERO Cc1ccccc1CNC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000048265955 179279106 /nfs/dbraw/zinc/27/91/06/179279106.db2.gz NIVBYKWIVCODQO-JSGCOSHPSA-N 1 0 246.354 1.999 10 0 BDAERO Cc1ccccc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309868143 179281932 /nfs/dbraw/zinc/28/19/32/179281932.db2.gz PJPSYAHPQXMBOO-ZSOGYDGISA-N 1 0 217.312 1.977 10 0 BDAERO Cc1ccccc1[C@@H](C(CO)CO)[NH+](C)C ZINC000196151562 347810640 /nfs/dbraw/zinc/81/06/40/347810640.db2.gz HTJPHQDBXXDOHA-CYBMUJFWSA-N 1 0 223.316 1.199 10 0 BDAERO Cc1ccccc1C[C@H]1COCC[C@H]1[NH3+] ZINC000082379477 179291662 /nfs/dbraw/zinc/29/16/62/179291662.db2.gz PWIJBOWJQASTBJ-QWHCGFSZSA-N 1 0 205.301 1.901 10 0 BDAERO Cc1ccccc1NC(=O)C[NH2+][C@@H]1C[C@@H]1C ZINC000052287842 179298696 /nfs/dbraw/zinc/29/86/96/179298696.db2.gz CEJCBPRTGHUVRA-CMPLNLGQSA-N 1 0 218.300 1.932 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000383164084 347866108 /nfs/dbraw/zinc/86/61/08/347866108.db2.gz JMCMMGHGOQNODG-WISYIIOYSA-N 1 0 224.348 1.618 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000383164085 347866170 /nfs/dbraw/zinc/86/61/70/347866170.db2.gz JMCMMGHGOQNODG-WYUUTHIRSA-N 1 0 224.348 1.618 10 0 BDAERO OC[C@]1(c2cccc(F)c2F)CC[NH2+]C1 ZINC000616569974 347880708 /nfs/dbraw/zinc/88/07/08/347880708.db2.gz BIDLDEFHJAGYKB-NSHDSACASA-N 1 0 213.227 1.188 10 0 BDAERO Cc1ccccc1OCC[C@@H](C[NH3+])N(C)C ZINC000019663661 179312006 /nfs/dbraw/zinc/31/20/06/179312006.db2.gz LKRKPXJACSEERN-LBPRGKRZSA-N 1 0 222.332 1.653 10 0 BDAERO OC[C@@]1(c2cccc(Cl)c2F)CC[NH2+]C1 ZINC000616570109 347904438 /nfs/dbraw/zinc/90/44/38/347904438.db2.gz CCROCHQXGZZKMR-LLVKDONJSA-N 1 0 229.682 1.703 10 0 BDAERO CCC1(CC)C[N@H+](CC(C)(C)O)CC[S@@]1=O ZINC000185223834 347882183 /nfs/dbraw/zinc/88/21/83/347882183.db2.gz UYFQYODJWLORPV-INIZCTEOSA-N 1 0 247.404 1.380 10 0 BDAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CC1 ZINC000616570216 347911935 /nfs/dbraw/zinc/91/19/35/347911935.db2.gz MNLAQCRWDJZNGB-KGLIPLIRSA-N 1 0 244.338 1.658 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])CN1CCOC[C@@H]1C ZINC000035775516 179324772 /nfs/dbraw/zinc/32/47/72/179324772.db2.gz IZJXBXDLXBLZAY-JSGCOSHPSA-N 1 0 234.343 1.716 10 0 BDAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CCCO1)C(N)=O ZINC000037943053 179326792 /nfs/dbraw/zinc/32/67/92/179326792.db2.gz GXKGQOGMVRSJIG-WCQYABFASA-N 1 0 248.326 1.290 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])c1nc(C(F)F)n[nH]1 ZINC000616570288 348015535 /nfs/dbraw/zinc/01/55/35/348015535.db2.gz GYUQAPZPZAMAPM-BYPYZUCNSA-N 1 0 204.224 1.788 10 0 BDAERO Cc1noc(C)c1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037166111 348024881 /nfs/dbraw/zinc/02/48/81/348024881.db2.gz QZBKSWJUKAHGNC-QWRGUYRKSA-N 1 0 224.304 1.685 10 0 BDAERO CC(C)C[NH+]1CCN(C(=O)OC2CC2)CC1 ZINC000669381728 537997025 /nfs/dbraw/zinc/99/70/25/537997025.db2.gz SWGXEPNUMIENAC-UHFFFAOYSA-N 1 0 226.320 1.559 10 0 BDAERO CN(c1cc[nH+]cc1N)[C@H]1CCSC1 ZINC000037174399 348030978 /nfs/dbraw/zinc/03/09/78/348030978.db2.gz YZXDZJBXEZXYOG-QMMMGPOBSA-N 1 0 209.318 1.606 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])N1CCOC[C@@H]1C ZINC000035774640 179342285 /nfs/dbraw/zinc/34/22/85/179342285.db2.gz RFEARBKIDJYTRE-JSGCOSHPSA-N 1 0 234.343 1.716 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])N1CCC[C@H](CO)C1 ZINC000043035579 179342291 /nfs/dbraw/zinc/34/22/91/179342291.db2.gz HWSQMSHURGJQJX-ZFWWWQNUSA-N 1 0 248.370 1.699 10 0 BDAERO Cc1ccccc1[C@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000043300023 179343063 /nfs/dbraw/zinc/34/30/63/179343063.db2.gz DHHADQPCRZGIDA-CMPLNLGQSA-N 1 0 239.340 1.430 10 0 BDAERO Cc1cccnc1-c1nc([C@@H](C)[NH3+])no1 ZINC000051813744 179357352 /nfs/dbraw/zinc/35/73/52/179357352.db2.gz IFHLSKSDFOLLBR-SSDOTTSWSA-N 1 0 204.233 1.460 10 0 BDAERO CC1(C)[C@H]([NH2+]CCCCCO)[C@H]2CCO[C@@H]21 ZINC000228733865 535069482 /nfs/dbraw/zinc/06/94/82/535069482.db2.gz IABUFZGNGHFVNJ-UTUOFQBUSA-N 1 0 227.348 1.552 10 0 BDAERO C/C=C/C(=O)N1CC[C@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616571053 348095452 /nfs/dbraw/zinc/09/54/52/348095452.db2.gz PAWPFJIVQQTICV-RVAOTSRCSA-N 1 0 224.348 1.784 10 0 BDAERO CCOC(=O)[C@]1(CC)O[C@@]1(C)CC[NH+](C)C ZINC000669382317 537999277 /nfs/dbraw/zinc/99/92/77/537999277.db2.gz GCXCCDJZFRIBEJ-RYUDHWBXSA-N 1 0 229.320 1.439 10 0 BDAERO C/C=C(\C)C(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616571576 348200096 /nfs/dbraw/zinc/20/00/96/348200096.db2.gz MDHDGXPHVRHTGO-HJUGMNLHSA-N 1 0 208.305 1.306 10 0 BDAERO CSCc1noc([C@@]2(C)CC[NH2+]C2)n1 ZINC000062919603 348208687 /nfs/dbraw/zinc/20/86/87/348208687.db2.gz ZGBDSAXOWFJLGR-VIFPVBQESA-N 1 0 213.306 1.184 10 0 BDAERO Cc1cccnc1NC(=O)C(C)(C)C[NH3+] ZINC000044751504 179389074 /nfs/dbraw/zinc/38/90/74/179389074.db2.gz WJRFTPXFXFIBOD-UHFFFAOYSA-N 1 0 207.277 1.313 10 0 BDAERO C[C@H]1CCN(Cc2nccs2)C[C@H]1[NH3+] ZINC000251527570 362883689 /nfs/dbraw/zinc/88/36/89/362883689.db2.gz ANECKQRRCFAXRO-DTWKUNHWSA-N 1 0 211.334 1.312 10 0 BDAERO O=c1cc([C@H]2CC[NH2+]C2)nc(C2CC2)[nH]1 ZINC000669382010 538002038 /nfs/dbraw/zinc/00/20/38/538002038.db2.gz DXYSEFOSDUIJKO-QMMMGPOBSA-N 1 0 205.261 1.137 10 0 BDAERO CC(=O)C[C@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251479607 362878678 /nfs/dbraw/zinc/87/86/78/362878678.db2.gz FNCJVHYKYUIWBZ-JQWIXIFHSA-N 1 0 210.321 1.134 10 0 BDAERO C[C@@H]1C[C@]2(C[N@@H+]1C)N[C@H](C)CCS2 ZINC000251669709 362896197 /nfs/dbraw/zinc/89/61/97/362896197.db2.gz LLMDCLVWLMSBFL-BBBLOLIVSA-N 1 0 200.351 1.522 10 0 BDAERO C[NH+](C)C1CCN([C@H]2CCCC2=O)CC1 ZINC000037339759 348328954 /nfs/dbraw/zinc/32/89/54/348328954.db2.gz NKAAPWUPPWLQSM-NSHDSACASA-N 1 0 210.321 1.134 10 0 BDAERO CC[C@@H]1COCC[N@@H+]1[C@H]1CCCC(=O)C1 ZINC000251558740 362885649 /nfs/dbraw/zinc/88/56/49/362885649.db2.gz BKGPPTOTRRSUBV-MNOVXSKESA-N 1 0 211.305 1.609 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000394977354 323184922 /nfs/dbraw/zinc/18/49/22/323184922.db2.gz CKCGTNFQLJXXSW-NOOOWODRSA-N 1 0 212.337 1.236 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+][C@H](C)CC[S@](=O)[C@@H]2C1 ZINC000251788202 362918450 /nfs/dbraw/zinc/91/84/50/362918450.db2.gz LKWDELZYDNCXAO-QEGBUVANSA-N 1 0 215.362 1.674 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]2[S@]1=O ZINC000251787590 362918648 /nfs/dbraw/zinc/91/86/48/362918648.db2.gz WUAFESVNIKMEOM-PRFIWBCESA-N 1 0 201.335 1.428 10 0 BDAERO CC1CCC(C[NH2+]C[C@@H]2COCCN2C)CC1 ZINC000623711489 362927398 /nfs/dbraw/zinc/92/73/98/362927398.db2.gz GSLOYPZVVRMJKB-JXQTWKCFSA-N 1 0 240.391 1.733 10 0 BDAERO CC[NH2+]C[C@](O)(c1cccnc1)C(F)(F)F ZINC000669382929 538005015 /nfs/dbraw/zinc/00/50/15/538005015.db2.gz OQPSYKHMSXPRMR-VIFPVBQESA-N 1 0 234.221 1.441 10 0 BDAERO COC(=O)[C@]1(Cl)O[C@]12CCC[C@@H]([NH+](C)C)C2 ZINC000669382704 538005165 /nfs/dbraw/zinc/00/51/65/538005165.db2.gz JMVDZDXPSSMDIY-MIMYLULJSA-N 1 0 247.722 1.368 10 0 BDAERO CC(C)[C@H]([NH3+])CN1CCS[C@@H](C)[C@@H]1C ZINC000222023421 349988166 /nfs/dbraw/zinc/98/81/66/349988166.db2.gz ZNLJMYFZEXLFML-GARJFASQSA-N 1 0 216.394 1.796 10 0 BDAERO Cc1ccnc(N[C@@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000104322581 179457494 /nfs/dbraw/zinc/45/74/94/179457494.db2.gz CMUWTGKAZCADCH-CHWSQXEVSA-N 1 0 240.310 1.822 10 0 BDAERO Cc1cnc(N(C)[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000095070514 179619321 /nfs/dbraw/zinc/61/93/21/179619321.db2.gz VKDYCWTWQMBNEE-SECBINFHSA-N 1 0 240.738 1.627 10 0 BDAERO CC(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000669383632 538009843 /nfs/dbraw/zinc/00/98/43/538009843.db2.gz WDBSRVDFNKLERS-LBPRGKRZSA-N 1 0 224.348 1.635 10 0 BDAERO Cc1cnc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)nc1 ZINC000270305901 179623017 /nfs/dbraw/zinc/62/30/17/179623017.db2.gz REQJHDWCNUHFCK-MNOVXSKESA-N 1 0 220.320 1.171 10 0 BDAERO COc1ccc2c(c1OC)[C@@]1(C[C@H]1[NH3+])CN2 ZINC000725247091 538010575 /nfs/dbraw/zinc/01/05/75/538010575.db2.gz GVXDJLNWHRCJIC-SKDRFNHKSA-N 1 0 220.272 1.098 10 0 BDAERO CC(C)C(=O)N[C@@H]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000669383344 538010659 /nfs/dbraw/zinc/01/06/59/538010659.db2.gz TVTPQOGOLQNZEB-SDDRHHMPSA-N 1 0 224.348 1.537 10 0 BDAERO C[C@H](Nc1ncnc2[nH]ccc21)[C@H]1CCC[NH2+]C1 ZINC000420165859 192167205 /nfs/dbraw/zinc/16/72/05/192167205.db2.gz NPLYKVHUSWIFOS-UWVGGRQHSA-N 1 0 245.330 1.758 10 0 BDAERO CN(C)c1ccc2c(c1)N(C)C[C@@]21C[C@@H]1[NH3+] ZINC000725246998 538012197 /nfs/dbraw/zinc/01/21/97/538012197.db2.gz DIIIMHWXTSNYRE-STQMWFEESA-N 1 0 217.316 1.171 10 0 BDAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1nccn1C ZINC000070007920 490194948 /nfs/dbraw/zinc/19/49/48/490194948.db2.gz ZYLZEFCHBJHIJQ-MNOVXSKESA-N 1 0 223.320 1.640 10 0 BDAERO Cc1cc(C)c(NC2=[NH+]CCN2)cc1N ZINC000521402181 323201223 /nfs/dbraw/zinc/20/12/23/323201223.db2.gz WTAAZFKFXGQIBR-UHFFFAOYSA-N 1 0 204.277 1.257 10 0 BDAERO C[C@@H]1CCC[C@H](C)N1CC1=[NH+]CCCN1 ZINC000669384917 538017962 /nfs/dbraw/zinc/01/79/62/538017962.db2.gz NGRNDOQKKYLVEN-PHIMTYICSA-N 1 0 209.337 1.641 10 0 BDAERO Cc1ccc([C@H]2CC[NH2+]C[C@@H]2N)cc1F ZINC000669384693 538016463 /nfs/dbraw/zinc/01/64/63/538016463.db2.gz BLCNFDTWVJJUIV-PWSUYJOCSA-N 1 0 208.280 1.538 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000164525140 179740843 /nfs/dbraw/zinc/74/08/43/179740843.db2.gz SBYRDKCOUCRYRV-JQWIXIFHSA-N 1 0 207.321 1.970 10 0 BDAERO CCn1cc(Cn2cc[nH+]c2N)c(C)n1 ZINC000725249827 538023511 /nfs/dbraw/zinc/02/35/11/538023511.db2.gz JMRDRPGIUSAHAJ-UHFFFAOYSA-N 1 0 205.265 1.038 10 0 BDAERO CC[C@@H](C)n1nnnc1[C@@H]1CCC[NH2+]C1 ZINC000616574475 349079684 /nfs/dbraw/zinc/07/96/84/349079684.db2.gz QDNDDRPDXKWFRR-RKDXNWHRSA-N 1 0 209.297 1.111 10 0 BDAERO C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@@H]2C[NH2+]CC[C@@H]21 ZINC000616575138 349087767 /nfs/dbraw/zinc/08/77/67/349087767.db2.gz GWOCKHDKGGFLDX-IHRRRGAJSA-N 1 0 234.318 1.833 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](C)COC ZINC000246439417 349097904 /nfs/dbraw/zinc/09/79/04/349097904.db2.gz HRPWSAAWDDZUFN-MCIONIFRSA-N 1 0 240.391 1.828 10 0 BDAERO C=CC(=O)N[C@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616571837 349061153 /nfs/dbraw/zinc/06/11/53/349061153.db2.gz SHTFTGFXQUJHQH-QWRGUYRKSA-N 1 0 210.321 1.313 10 0 BDAERO C/C=C\C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616571801 349061269 /nfs/dbraw/zinc/06/12/69/349061269.db2.gz SAIASDZWJICAKF-LCEPEUOPSA-N 1 0 244.338 1.906 10 0 BDAERO C/C=C(/C)C(=O)N1CC[C@H](CC)[C@H]([NH3+])C1 ZINC000616572875 349063676 /nfs/dbraw/zinc/06/36/76/349063676.db2.gz XDVGIYOSGWNOKZ-RJAQEEFZSA-N 1 0 210.321 1.538 10 0 BDAERO CC(C)=CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000616572206 349065210 /nfs/dbraw/zinc/06/52/10/349065210.db2.gz PTKXJXDTUPHUNE-QWRGUYRKSA-N 1 0 208.305 1.306 10 0 BDAERO CO[C@]1(COc2cccc(F)c2)CC[NH2+]C1 ZINC000616577749 349119666 /nfs/dbraw/zinc/11/96/66/349119666.db2.gz IMJGMYSGOXQTIC-GFCCVEGCSA-N 1 0 225.263 1.583 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000248374918 349126744 /nfs/dbraw/zinc/12/67/44/349126744.db2.gz VBSWJDZFYQOHER-CHWSQXEVSA-N 1 0 228.380 1.828 10 0 BDAERO COC(=O)CCCC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000599340985 349152168 /nfs/dbraw/zinc/15/21/68/349152168.db2.gz HWXUGSAQETVRAF-WDEREUQCSA-N 1 0 211.305 1.814 10 0 BDAERO C[C@@H]1CN(c2ncnc3c2CCC3)CC[C@H]1[NH3+] ZINC000251740107 349187945 /nfs/dbraw/zinc/18/79/45/349187945.db2.gz KTUKBPQIPKWCRS-MWLCHTKSSA-N 1 0 232.331 1.139 10 0 BDAERO COc1ccc([C@]2(O)CCC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000616579497 349164534 /nfs/dbraw/zinc/16/45/34/349164534.db2.gz REKLTKSSIUJAQZ-TUKIKUTGSA-N 1 0 247.338 1.902 10 0 BDAERO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)O1 ZINC000251902687 349193317 /nfs/dbraw/zinc/19/33/17/349193317.db2.gz SPYAXENLMYNJSL-DDHJBXDOSA-N 1 0 213.321 1.447 10 0 BDAERO C[C@@H]1CN(c2ncnc3ccccc32)CC[C@H]1[NH3+] ZINC000251901283 349193462 /nfs/dbraw/zinc/19/34/62/349193462.db2.gz WKBPGPFXGXKOJJ-ZYHUDNBSSA-N 1 0 242.326 1.803 10 0 BDAERO C[C@H]1CN(c2ncnc3ccccc32)CC[C@H]1[NH3+] ZINC000251901282 349193497 /nfs/dbraw/zinc/19/34/97/349193497.db2.gz WKBPGPFXGXKOJJ-CMPLNLGQSA-N 1 0 242.326 1.803 10 0 BDAERO CCOC(=O)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000599452614 349199120 /nfs/dbraw/zinc/19/91/20/349199120.db2.gz UTKZHHYTADRATP-NNYUYHANSA-N 1 0 241.331 1.079 10 0 BDAERO Cc1n[nH]c(C)c1CN1CC[C@@H]([NH+](C)C)C1 ZINC000289473708 179822439 /nfs/dbraw/zinc/82/24/39/179822439.db2.gz PRVFAFDEUZFOGE-LLVKDONJSA-N 1 0 222.336 1.162 10 0 BDAERO CC[C@H](C)n1nccc1[C@H](O)C[NH2+]C(C)C ZINC000725253495 538037853 /nfs/dbraw/zinc/03/78/53/538037853.db2.gz NFIOTOQIUYECPD-CMPLNLGQSA-N 1 0 225.336 1.886 10 0 BDAERO Cc1nc2c(c(NCCC[NH3+])n1)CCCC2 ZINC000212407725 349328804 /nfs/dbraw/zinc/32/88/04/349328804.db2.gz MMVCQTRJODPXPL-UHFFFAOYSA-N 1 0 220.320 1.425 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cc[nH]n1 ZINC000616584773 349354753 /nfs/dbraw/zinc/35/47/53/349354753.db2.gz MKAZRRBEZYNBEB-ZDUSSCGKSA-N 1 0 243.314 1.342 10 0 BDAERO Cc1nc(C)n([C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])n1 ZINC000042973261 179922293 /nfs/dbraw/zinc/92/22/93/179922293.db2.gz UUUYNMPCGBCMDR-AMIZOPFISA-N 1 0 248.305 1.971 10 0 BDAERO Cc1nc(C)n(CC[C@H]2CCC[NH2+]C2)n1 ZINC000051919926 179922411 /nfs/dbraw/zinc/92/24/11/179922411.db2.gz CWWFZBCAQARGMZ-LLVKDONJSA-N 1 0 208.309 1.285 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000070613454 350029721 /nfs/dbraw/zinc/02/97/21/350029721.db2.gz BBKZJFUBTFNHEM-NEPJUHHUSA-N 1 0 226.364 1.879 10 0 BDAERO CS[C@@H](C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601976189 349412170 /nfs/dbraw/zinc/41/21/70/349412170.db2.gz UAIJBCHFQOCCQX-NHCYSSNCSA-N 1 0 242.388 1.244 10 0 BDAERO Cc1nc(COc2ccccc2C[C@@H](C)[NH3+])no1 ZINC000037724382 179979367 /nfs/dbraw/zinc/97/93/67/179979367.db2.gz GEBCMDUYMADOIJ-SECBINFHSA-N 1 0 247.298 1.847 10 0 BDAERO Cc1nc(C[C@@H]([NH3+])C[C@H]2CCCO2)cs1 ZINC000055294856 179982838 /nfs/dbraw/zinc/98/28/38/179982838.db2.gz HJGPLFPIVFTZOJ-MWLCHTKSSA-N 1 0 226.345 1.890 10 0 BDAERO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]2CO)CCO1 ZINC000382335893 350107569 /nfs/dbraw/zinc/10/75/69/350107569.db2.gz YCTBCERJIMZDTP-NNYUYHANSA-N 1 0 213.321 1.162 10 0 BDAERO Cc1nc(N2CCC[C@@H]2C)sc1C[NH3+] ZINC000054968874 180001851 /nfs/dbraw/zinc/00/18/51/180001851.db2.gz SPBCIUUSVCMEEJ-ZETCQYMHSA-N 1 0 211.334 1.899 10 0 BDAERO Cc1nc(N2CCN(C)CC2)sc1[C@@H](C)[NH3+] ZINC000054864198 180002012 /nfs/dbraw/zinc/00/20/12/180002012.db2.gz NZMXXTOTWRFATG-MRVPVSSYSA-N 1 0 240.376 1.223 10 0 BDAERO CCC[NH2+]CCNc1cncc(OC(C)C)n1 ZINC000071176098 350090181 /nfs/dbraw/zinc/09/01/81/350090181.db2.gz DRECVPZHVAXLQF-UHFFFAOYSA-N 1 0 238.335 1.675 10 0 BDAERO CC(C)Oc1cncc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000071176398 350090290 /nfs/dbraw/zinc/09/02/90/350090290.db2.gz XAFGRWOARQOJJH-SNVBAGLBSA-N 1 0 238.335 1.659 10 0 BDAERO Cc1[nH+]c(NCc2ccncc2)ccc1N ZINC000036245069 180021145 /nfs/dbraw/zinc/02/11/45/180021145.db2.gz HEAJSDPGLPZRDF-UHFFFAOYSA-N 1 0 214.272 1.979 10 0 BDAERO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H](C)O)cs1 ZINC000192809610 180043976 /nfs/dbraw/zinc/04/39/76/180043976.db2.gz HFLXBFVBYPKXAP-KCJUWKMLSA-N 1 0 226.345 1.969 10 0 BDAERO C[S@](=O)C[C@H]([NH3+])CCCc1ccccc1 ZINC000725255392 538052189 /nfs/dbraw/zinc/05/21/89/538052189.db2.gz AOLQZYLDCZHBJF-DOMZBBRYSA-N 1 0 225.357 1.715 10 0 BDAERO Cc1nc([C@H](C)[NH2+]CCO)sc1C ZINC000045205771 180049286 /nfs/dbraw/zinc/04/92/86/180049286.db2.gz SURZETKIMWEXPH-ZETCQYMHSA-N 1 0 200.307 1.403 10 0 BDAERO Cc1nc2c(Cl)cccn2c1CC[NH3+] ZINC000082695267 180064549 /nfs/dbraw/zinc/06/45/49/180064549.db2.gz MZZYQKHRONXLFO-UHFFFAOYSA-N 1 0 209.680 1.797 10 0 BDAERO CCS(=O)(=O)N(C)c1cc(C[NH3+])ccc1C ZINC000725255458 538051688 /nfs/dbraw/zinc/05/16/88/538051688.db2.gz BVJQHKMDWJTHSB-UHFFFAOYSA-N 1 0 242.344 1.240 10 0 BDAERO C[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000219828439 350142888 /nfs/dbraw/zinc/14/28/88/350142888.db2.gz YLEUXQTVMJGNPW-GRYCIOLGSA-N 1 0 224.348 1.491 10 0 BDAERO O=C(NC[C@@H]1CCCC[NH2+]C1)C1CCC1 ZINC000308820258 538053426 /nfs/dbraw/zinc/05/34/26/538053426.db2.gz JKZCUWCRDYUIKM-SNVBAGLBSA-N 1 0 210.321 1.292 10 0 BDAERO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000309189725 350159471 /nfs/dbraw/zinc/15/94/71/350159471.db2.gz CCCWCXVAUYAFRK-JHJVBQTASA-N 1 0 228.380 1.608 10 0 BDAERO Cc1nc2ccccc2n1C[C@@H](C)C[NH3+] ZINC000036677787 180104617 /nfs/dbraw/zinc/10/46/17/180104617.db2.gz WKURPJVRQINEER-VIFPVBQESA-N 1 0 203.289 1.940 10 0 BDAERO Cc1csc2nc(C)c(CNCC[NH3+])n12 ZINC000037712880 180117602 /nfs/dbraw/zinc/11/76/02/180117602.db2.gz FSDKYOJOYSHERR-UHFFFAOYSA-N 1 0 224.333 1.061 10 0 BDAERO Cc1csc2nc(C)c([C@@H](O)C[NH3+])n12 ZINC000021949157 180117684 /nfs/dbraw/zinc/11/76/84/180117684.db2.gz DYWXIVSMMKMUEM-ZETCQYMHSA-N 1 0 211.290 1.005 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCC[C@@H](O)C2)s1 ZINC000037797602 180158668 /nfs/dbraw/zinc/15/86/68/180158668.db2.gz UAYPUCONWTVJOW-VHSXEESVSA-N 1 0 226.345 1.845 10 0 BDAERO Cc1ncc(COCC2CC[NH2+]CC2)s1 ZINC000062336955 180161051 /nfs/dbraw/zinc/16/10/51/180161051.db2.gz HGHHGFOYKSLTJL-UHFFFAOYSA-N 1 0 226.345 1.968 10 0 BDAERO Cc1ccc(C)c(C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000105472671 191067333 /nfs/dbraw/zinc/06/73/33/191067333.db2.gz HAQNQNWRDLZIGT-OAHLLOKOSA-N 1 0 248.370 1.724 10 0 BDAERO Cc1nccc(C[NH2+][C@@H](C)[C@H]2CCCO2)n1 ZINC000054790189 180191738 /nfs/dbraw/zinc/19/17/38/180191738.db2.gz FOIFTRZWMGSNEZ-JOYOIKCWSA-N 1 0 221.304 1.442 10 0 BDAERO Cc1nccc(CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000129208307 180192748 /nfs/dbraw/zinc/19/27/48/180192748.db2.gz GIUUDMYVJLZZNR-GWCFXTLKSA-N 1 0 246.358 1.500 10 0 BDAERO Cc1nccc(N[C@@H](C)C[NH+]2CCCC2)n1 ZINC000054936197 180202822 /nfs/dbraw/zinc/20/28/22/180202822.db2.gz IPORVRXZHCKWNZ-JTQLQIEISA-N 1 0 220.320 1.681 10 0 BDAERO Cc1nccc(CNC2=[NH+][C@H](C)CS2)n1 ZINC000045005734 180187732 /nfs/dbraw/zinc/18/77/32/180187732.db2.gz MIQQLXJKKVEZPG-SSDOTTSWSA-N 1 0 222.317 1.366 10 0 BDAERO Cc1ncccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000108270464 180209714 /nfs/dbraw/zinc/20/97/14/180209714.db2.gz WSDMEPVLWGZUJN-NSHDSACASA-N 1 0 233.315 1.166 10 0 BDAERO CC(C)C[C@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000309299160 350269884 /nfs/dbraw/zinc/26/98/84/350269884.db2.gz SMYFJZCYKZYDPY-RKDXNWHRSA-N 1 0 243.269 1.296 10 0 BDAERO Cc1nccn1Cc1cccnc1C[NH3+] ZINC000061656974 180268285 /nfs/dbraw/zinc/26/82/85/180268285.db2.gz FKOQFAYTZBMXIH-UHFFFAOYSA-N 1 0 202.261 1.094 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)CS1 ZINC000324403873 350296874 /nfs/dbraw/zinc/29/68/74/350296874.db2.gz IEMVNYVNOJGMCA-UTLUCORTSA-N 1 0 217.378 1.877 10 0 BDAERO Cn1nccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000038096167 350304928 /nfs/dbraw/zinc/30/49/28/350304928.db2.gz VJEBDKWISXNHLU-NSHDSACASA-N 1 0 209.293 1.079 10 0 BDAERO Cc1ncnc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000045954933 180291757 /nfs/dbraw/zinc/29/17/57/180291757.db2.gz HXJIWEVNNUXMTK-LLVKDONJSA-N 1 0 220.320 1.505 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324624428 350308150 /nfs/dbraw/zinc/30/81/50/350308150.db2.gz QPCPTKCTTZFZPE-QWRGUYRKSA-N 1 0 214.353 1.077 10 0 BDAERO Cc1nccnc1OC[C@H]1CCC[NH2+]C1 ZINC000095069461 180280576 /nfs/dbraw/zinc/28/05/76/180280576.db2.gz XWVSPZZXTHKUMS-JTQLQIEISA-N 1 0 207.277 1.163 10 0 BDAERO Cc1ncn(-c2ccccc2C[NH3+])c1C ZINC000051925516 180284785 /nfs/dbraw/zinc/28/47/85/180284785.db2.gz GTLLBRBNVWMQRO-UHFFFAOYSA-N 1 0 201.273 1.948 10 0 BDAERO C[NH2+]Cc1cn([C@H]2CCNc3ccccc32)nn1 ZINC000725263221 538089615 /nfs/dbraw/zinc/08/96/15/538089615.db2.gz XLGQJBZENDBXPI-ZDUSSCGKSA-N 1 0 243.314 1.403 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1c1noc(-c2ccncc2)n1 ZINC000076051624 350346733 /nfs/dbraw/zinc/34/67/33/350346733.db2.gz BJBQBJKNUXIXGE-UWVGGRQHSA-N 1 0 230.271 1.726 10 0 BDAERO OC[C@H]1CCC[N@@H+]([C@H]2CCOC23CCCC3)C1 ZINC000725263866 538090695 /nfs/dbraw/zinc/09/06/95/538090695.db2.gz SSCYZQZWFKQBFM-STQMWFEESA-N 1 0 239.359 1.792 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000225162091 350352986 /nfs/dbraw/zinc/35/29/86/350352986.db2.gz RBNKLJMQYLGPSQ-UHTWSYAYSA-N 1 0 221.300 1.487 10 0 BDAERO FC(F)(Br)[C@@]1(F)CC[NH2+]C1 ZINC000225683969 350369621 /nfs/dbraw/zinc/36/96/21/350369621.db2.gz WKXCYEOSABTPMV-SCSAIBSYSA-N 1 0 218.016 1.676 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+]C[C@@H](C)O ZINC000037258081 180326873 /nfs/dbraw/zinc/32/68/73/180326873.db2.gz OHHZJSREZBKMLK-RQJHMYQMSA-N 1 0 200.307 1.483 10 0 BDAERO Cc1ncsc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282476748 180323302 /nfs/dbraw/zinc/32/33/02/180323302.db2.gz VAUYWEJMFAHFSV-APPZFPTMSA-N 1 0 239.344 1.208 10 0 BDAERO Cc1nn(C)c(N(C)C)c1C[NH2+]C1CC1 ZINC000034824245 180350680 /nfs/dbraw/zinc/35/06/80/180350680.db2.gz KXMSZWQCCPSXRI-UHFFFAOYSA-N 1 0 208.309 1.047 10 0 BDAERO CCCCNC(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000725264520 538092210 /nfs/dbraw/zinc/09/22/10/538092210.db2.gz TYZBXCMUHAMXIP-WCQYABFASA-N 1 0 239.363 1.842 10 0 BDAERO C[C@@H](C[N@@H+]1CCSC[C@@H]1C)C(N)=S ZINC000226394591 350426727 /nfs/dbraw/zinc/42/67/27/350426727.db2.gz VDGHMLXCYWGLFD-YUMQZZPRSA-N 1 0 218.391 1.346 10 0 BDAERO Cc1nn(C)c(Sc2cnccn2)c1CC[NH3+] ZINC000104444590 180361427 /nfs/dbraw/zinc/36/14/27/180361427.db2.gz AYOOMCMSGRRBCC-UHFFFAOYSA-N 1 0 249.343 1.171 10 0 BDAERO Cc1nn(C)c(Oc2ccc(F)cc2)c1C(N)=[NH2+] ZINC000104309652 180361064 /nfs/dbraw/zinc/36/10/64/180361064.db2.gz SJQWXQNNJSITOG-UHFFFAOYSA-N 1 0 248.261 1.944 10 0 BDAERO C[C@@H]([NH2+]CC(C)(C)O)[C@@H]1COc2ccccc21 ZINC000162983060 350490136 /nfs/dbraw/zinc/49/01/36/350490136.db2.gz MASXZPFTFDLNSO-PWSUYJOCSA-N 1 0 235.327 1.912 10 0 BDAERO C[N@@H+]1CCO[C@@H](CNC(=O)OC(C)(C)C)CC1 ZINC000616592612 350467617 /nfs/dbraw/zinc/46/76/17/350467617.db2.gz DHLTVQPJKDQKHN-SNVBAGLBSA-N 1 0 244.335 1.232 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2ccccc2CO)CC1 ZINC000616592705 350468836 /nfs/dbraw/zinc/46/88/36/350468836.db2.gz GFLCOLYRIHYIGI-CQSZACIVSA-N 1 0 235.327 1.962 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCN[C@H]1C)[C@H]1CCOC1 ZINC000396609596 323349872 /nfs/dbraw/zinc/34/98/72/323349872.db2.gz DLBMCVFUPSQIOY-FIQHERPVSA-N 1 0 212.337 1.142 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1[S@@](=O)C1CCCCC1 ZINC000227044830 350475572 /nfs/dbraw/zinc/47/55/72/350475572.db2.gz RGEJVSRBULOYGW-SUNKGSAMSA-N 1 0 215.362 1.948 10 0 BDAERO FC(F)(F)Cn1cc(C2CC[NH2+]CC2)cn1 ZINC000409427015 350476593 /nfs/dbraw/zinc/47/65/93/350476593.db2.gz TZMAMHAGMKHSDE-UHFFFAOYSA-N 1 0 233.237 1.912 10 0 BDAERO CC(C)(C)c1cc2n(CC[NH3+])ccn2n1 ZINC000409440123 350482640 /nfs/dbraw/zinc/48/26/40/350482640.db2.gz RXTLJQJOHDHDGW-UHFFFAOYSA-N 1 0 206.293 1.392 10 0 BDAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](Sc2nc[nH]n2)C1 ZINC000227905797 350518739 /nfs/dbraw/zinc/51/87/39/350518739.db2.gz AYZTVUNPAYJKND-CSMHCCOUSA-N 1 0 212.322 1.413 10 0 BDAERO Cc1nn([C@@H]2CCOC2)c(C)c1C[NH2+]C1CC1 ZINC000070072925 180392245 /nfs/dbraw/zinc/39/22/45/180392245.db2.gz DOEAAUPCLRXKGG-GFCCVEGCSA-N 1 0 235.331 1.713 10 0 BDAERO OCC[N@@H+]1CCO[C@H](c2cccc(F)c2)CC1 ZINC000616593147 350513621 /nfs/dbraw/zinc/51/36/21/350513621.db2.gz JDYIWLJQRLBUGW-ZDUSSCGKSA-N 1 0 239.290 1.581 10 0 BDAERO Cc1coc(-c2cnnn2[C@@H]2CCC[NH2+]C2)n1 ZINC000725265943 538094115 /nfs/dbraw/zinc/09/41/15/538094115.db2.gz APBNICJHANJQDG-SECBINFHSA-N 1 0 233.275 1.166 10 0 BDAERO COC[C@H]([NH3+])[C@H]1SCCS[C@@H]1C ZINC000228105315 350529010 /nfs/dbraw/zinc/52/90/10/350529010.db2.gz PYWNQNQTFZFNFA-CSMHCCOUSA-N 1 0 207.364 1.197 10 0 BDAERO O[C@]1(C(F)(F)F)CC[N@@H+]2CCCC[C@@H]21 ZINC000227925610 350519849 /nfs/dbraw/zinc/51/98/49/350519849.db2.gz SNOXZNPBSVOVCG-HTQZYQBOSA-N 1 0 209.211 1.538 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)NC1CCCCC1 ZINC000063170783 350573118 /nfs/dbraw/zinc/57/31/18/350573118.db2.gz SLZSHTVVUQDQMM-SECBINFHSA-N 1 0 213.325 1.356 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2ccc(N)cc2)CC1 ZINC000616593515 350581425 /nfs/dbraw/zinc/58/14/25/350581425.db2.gz KMZRYFNVHFOOEX-GFCCVEGCSA-N 1 0 206.289 1.662 10 0 BDAERO OC[C@H](CC[NH2+]C1CCCCC1)[C@@H]1CCOC1 ZINC000725266766 538097140 /nfs/dbraw/zinc/09/71/40/538097140.db2.gz CDDDLZCFKHFQKM-QWHCGFSZSA-N 1 0 241.375 1.944 10 0 BDAERO CCCC[NH2+]CC[C@H](CO)[C@H]1COC(C)(C)O1 ZINC000725266899 538097337 /nfs/dbraw/zinc/09/73/37/538097337.db2.gz LUJWPEHZCBAHAX-VXGBXAGGSA-N 1 0 245.363 1.526 10 0 BDAERO Cc1nnc2n1C[C@@H]([NH2+][C@@H](C)C1CC1)CC2 ZINC000309564549 180449864 /nfs/dbraw/zinc/44/98/64/180449864.db2.gz LWXSCDFUTNOCGR-KWQFWETISA-N 1 0 220.320 1.289 10 0 BDAERO CCCCNC(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125060675 538097643 /nfs/dbraw/zinc/09/76/43/538097643.db2.gz PPWXTEVCKNOMGK-NSHDSACASA-N 1 0 227.352 1.699 10 0 BDAERO Nc1ccc(C[NH3+])c(Br)c1F ZINC000231839728 350639354 /nfs/dbraw/zinc/63/93/54/350639354.db2.gz RGRAFCALRFCQSR-UHFFFAOYSA-N 1 0 219.057 1.629 10 0 BDAERO CCCC[NH2+]CC[C@@H](CO)[C@@H]1COC(C)(C)O1 ZINC000725266898 538097695 /nfs/dbraw/zinc/09/76/95/538097695.db2.gz LUJWPEHZCBAHAX-RYUDHWBXSA-N 1 0 245.363 1.526 10 0 BDAERO CCCCNC(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125060421 538097908 /nfs/dbraw/zinc/09/79/08/538097908.db2.gz PPWXTEVCKNOMGK-LLVKDONJSA-N 1 0 227.352 1.699 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1ccccc1CCO ZINC000616599804 350759981 /nfs/dbraw/zinc/75/99/81/350759981.db2.gz PTUQVXONXLMQKY-CQSZACIVSA-N 1 0 235.327 1.615 10 0 BDAERO C[C@H]([NH3+])C(=O)Nc1cccnc1Br ZINC000235460912 350717409 /nfs/dbraw/zinc/71/74/09/350717409.db2.gz XCOYUOARGJUFRO-YFKPBYRVSA-N 1 0 244.092 1.130 10 0 BDAERO Nc1cc(F)c(Cl)cc1NCC[NH3+] ZINC000236268127 350732998 /nfs/dbraw/zinc/73/29/98/350732998.db2.gz CIKSWYUMXIUVSW-UHFFFAOYSA-N 1 0 203.648 1.432 10 0 BDAERO COc1ccccc1NC1=[NH+]CCCN1 ZINC000386400603 362981363 /nfs/dbraw/zinc/98/13/63/362981363.db2.gz GXVNVOQKILONHV-UHFFFAOYSA-N 1 0 205.261 1.456 10 0 BDAERO CC(C)[C@H](C)[C@H]([NH2+]Cc1ccccc1)C(N)=O ZINC000306672682 350815985 /nfs/dbraw/zinc/81/59/85/350815985.db2.gz MHNXFGSOFGGXBB-AAEUAGOBSA-N 1 0 234.343 1.922 10 0 BDAERO C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CCOC(C)(C)C1 ZINC000228594018 350818578 /nfs/dbraw/zinc/81/85/78/350818578.db2.gz RKEBDHCDYVMUDJ-UWVGGRQHSA-N 1 0 200.326 1.081 10 0 BDAERO [NH3+][C@H]1c2cc(Br)ccc2C[C@@H]1CO ZINC000306673924 350820602 /nfs/dbraw/zinc/82/06/02/350820602.db2.gz OVTIXFOLHTUENB-GMSGAONNSA-N 1 0 242.116 1.614 10 0 BDAERO CCN1CC[NH2+][C@@H](c2cccc3nnccc32)C1 ZINC000616600306 350779784 /nfs/dbraw/zinc/77/97/84/350779784.db2.gz GWVVPEIGYIYMMU-CQSZACIVSA-N 1 0 242.326 1.596 10 0 BDAERO Nc1ncccc1[C@H]1CCCN(CC[NH3+])CC1 ZINC000616600778 350780643 /nfs/dbraw/zinc/78/06/43/350780643.db2.gz LYNNGZRTCRLHQZ-NSHDSACASA-N 1 0 234.347 1.192 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2ccncc2)CC1 ZINC000616601348 350782656 /nfs/dbraw/zinc/78/26/56/350782656.db2.gz QGQMRJVLRFMUAR-LBPRGKRZSA-N 1 0 219.332 1.610 10 0 BDAERO CC(C)(C[NH3+])c1nc2cnccc2s1 ZINC000167930291 350790580 /nfs/dbraw/zinc/79/05/80/350790580.db2.gz NRQQIDYZOSASDY-UHFFFAOYSA-N 1 0 207.302 1.928 10 0 BDAERO CN1CC[NH2+][C@H](c2cccc3ccncc32)C1 ZINC000616604233 350792522 /nfs/dbraw/zinc/79/25/22/350792522.db2.gz WOAXATYXXQTDRO-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]C[C@H](C)O ZINC000306674296 350823078 /nfs/dbraw/zinc/82/30/78/350823078.db2.gz QCONZSAGQGFNEB-IVZWLZJFSA-N 1 0 246.351 1.259 10 0 BDAERO [NH3+]CCN1CCC[C@@H]1c1ccc(CCO)cc1 ZINC000616608333 350804269 /nfs/dbraw/zinc/80/42/69/350804269.db2.gz QKFYLNCCEJUOET-CQSZACIVSA-N 1 0 234.343 1.317 10 0 BDAERO CC[C@@H]1CN([C@@H]2CCS[C@H]2C)CC[NH2+]1 ZINC000306677536 350831114 /nfs/dbraw/zinc/83/11/14/350831114.db2.gz ZBMNVSMJWQNRFT-HBNTYKKESA-N 1 0 214.378 1.564 10 0 BDAERO CNc1ccccc1[C@@H]1CC[N@H+](CCO)C1 ZINC000616614352 350831251 /nfs/dbraw/zinc/83/12/51/350831251.db2.gz KGLTUKRSJGFLJL-LLVKDONJSA-N 1 0 220.316 1.510 10 0 BDAERO Nc1cccc([C@H]2CCCC[N@@H+]2CCO)c1 ZINC000616614862 350840318 /nfs/dbraw/zinc/84/03/18/350840318.db2.gz XAKJKNZMBKGDSI-CYBMUJFWSA-N 1 0 220.316 1.788 10 0 BDAERO N[C@H](CC[NH3+])c1ccc(Br)cn1 ZINC000306702779 350851188 /nfs/dbraw/zinc/85/11/88/350851188.db2.gz AGHNNWQDQICQBL-SSDOTTSWSA-N 1 0 230.109 1.193 10 0 BDAERO C[C@@H]([NH3+])[C@@](C)(O)Cc1ccc(Br)o1 ZINC000306676113 350827837 /nfs/dbraw/zinc/82/78/37/350827837.db2.gz VHXVNSZIOFLSDZ-MUWHJKNJSA-N 1 0 248.120 1.683 10 0 BDAERO CC1(C)[C@H](O)CC[N@@H+]1[C@@H]1CCCCC1=O ZINC000306675673 350827939 /nfs/dbraw/zinc/82/79/39/350827939.db2.gz TXPSBFAMABBGDK-MWLCHTKSSA-N 1 0 211.305 1.343 10 0 BDAERO Cc1nsc(N2CC[C@H](C)C[C@@H]2C[NH3+])n1 ZINC000235619762 180518779 /nfs/dbraw/zinc/51/87/79/180518779.db2.gz DPFFXXNHXKCVOF-IONNQARKSA-N 1 0 226.349 1.410 10 0 BDAERO CC[C@@H]1CN(c2ncns2)CC[C@H]1[NH3+] ZINC000251698446 350900702 /nfs/dbraw/zinc/90/07/02/350900702.db2.gz IUFHJXNPMHBEGJ-HTQZYQBOSA-N 1 0 212.322 1.102 10 0 BDAERO CC[C@H]1CN(c2ncns2)CC[C@H]1[NH3+] ZINC000251698450 350901100 /nfs/dbraw/zinc/90/11/00/350901100.db2.gz IUFHJXNPMHBEGJ-JGVFFNPUSA-N 1 0 212.322 1.102 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+]CC[C@H](C)[S@](=O)[C@H]2C1 ZINC000251924826 362987798 /nfs/dbraw/zinc/98/77/98/362987798.db2.gz UWEOLNAXXRPJKK-SEKJGCFDSA-N 1 0 215.362 1.674 10 0 BDAERO C[C@@H]1SCC[C@@H]1Nc1cccc(N)[nH+]1 ZINC000306734926 350904201 /nfs/dbraw/zinc/90/42/01/350904201.db2.gz VJMFGDXXARCQMH-YUMQZZPRSA-N 1 0 209.318 1.970 10 0 BDAERO CO[C@]1(C)CC[N@@H+]([C@@H]2CCCCC2=O)C1 ZINC000306734572 350904962 /nfs/dbraw/zinc/90/49/62/350904962.db2.gz UWBSEDXJTOYDSS-ZYHUDNBSSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@@H]1C[C@@H](N(C)[C@H]2CC[NH2+]C2)CS1 ZINC000252218123 350910072 /nfs/dbraw/zinc/91/00/72/350910072.db2.gz ZRMZFMDYEUUMSO-KXUCPTDWSA-N 1 0 200.351 1.174 10 0 BDAERO COc1ccc(NC2=[NH+]CCCN2)cc1 ZINC000386429262 362988013 /nfs/dbraw/zinc/98/80/13/362988013.db2.gz LDTNHMZTKHUVSM-UHFFFAOYSA-N 1 0 205.261 1.456 10 0 BDAERO [NH3+]CCN1CCC(c2ccccc2CO)CC1 ZINC000616619140 350926500 /nfs/dbraw/zinc/92/65/00/350926500.db2.gz GCHGOSZLZWBTRH-UHFFFAOYSA-N 1 0 234.343 1.317 10 0 BDAERO C[C@H]([NH3+])c1cnnn1Cc1ccccc1 ZINC000306720613 350879649 /nfs/dbraw/zinc/87/96/49/350879649.db2.gz CXICVHUPWXCJKR-VIFPVBQESA-N 1 0 202.261 1.346 10 0 BDAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)COC ZINC000251248004 350893846 /nfs/dbraw/zinc/89/38/46/350893846.db2.gz BMAAABZZMAYNDY-HBNTYKKESA-N 1 0 230.352 1.304 10 0 BDAERO [NH3+]CCN1CCC(c2ccccc2CCO)CC1 ZINC000616620364 350939116 /nfs/dbraw/zinc/93/91/16/350939116.db2.gz XOLDDMUOCWSCOR-UHFFFAOYSA-N 1 0 248.370 1.360 10 0 BDAERO Cc1occc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335913222 180536570 /nfs/dbraw/zinc/53/65/70/180536570.db2.gz ZIPQKAKALNEYDG-OIBJUYFYSA-N 1 0 208.261 1.150 10 0 BDAERO NC1=[NH+]C[C@]2(CC[C@@H]3C[C@@H]32)N1Cc1ccccc1 ZINC000306750823 350959503 /nfs/dbraw/zinc/95/95/03/350959503.db2.gz JIBDLAZQNPGPDC-IPYPFGDCSA-N 1 0 241.338 1.986 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000052287413 350978904 /nfs/dbraw/zinc/97/89/04/350978904.db2.gz PYJATDZWCKTVRI-ZYHUDNBSSA-N 1 0 218.300 1.301 10 0 BDAERO [NH3+][C@H](Cc1cncs1)[C@@H]1CSCCS1 ZINC000159733528 350989715 /nfs/dbraw/zinc/98/97/15/350989715.db2.gz GPBHRRSXTAZPPA-BDAKNGLRSA-N 1 0 246.426 1.862 10 0 BDAERO C[C@@H]1CN(Cc2cncs2)CCC[NH2+]1 ZINC000159806379 351003472 /nfs/dbraw/zinc/00/34/72/351003472.db2.gz JKEJDCQWRWGRON-SECBINFHSA-N 1 0 211.334 1.327 10 0 BDAERO COc1ccc(C(=O)[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000306770634 351003608 /nfs/dbraw/zinc/00/36/08/351003608.db2.gz BVOVNYJKKXNQQL-HTQZYQBOSA-N 1 0 225.313 1.795 10 0 BDAERO C[C@H]1CN(Cc2cncs2)CCC[NH2+]1 ZINC000159806502 351004045 /nfs/dbraw/zinc/00/40/45/351004045.db2.gz JKEJDCQWRWGRON-VIFPVBQESA-N 1 0 211.334 1.327 10 0 BDAERO C1OCC1[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000309686248 191128177 /nfs/dbraw/zinc/12/81/77/191128177.db2.gz OGDYHBDBYZZFGE-UTUOFQBUSA-N 1 0 223.316 1.323 10 0 BDAERO Nc1cccc([C@@H]2CCC[N@H+](CCO)C2)c1 ZINC000616621316 351027226 /nfs/dbraw/zinc/02/72/26/351027226.db2.gz QVHKHXWTLAIERL-GFCCVEGCSA-N 1 0 220.316 1.441 10 0 BDAERO CS(C)(=O)=NC[C@@H]1CCCC[C@H]1[NH3+] ZINC000306788220 351038605 /nfs/dbraw/zinc/03/86/05/351038605.db2.gz WZJQGNFGOBBBAV-DTWKUNHWSA-N 1 0 204.339 1.232 10 0 BDAERO CCCNC(=[NH2+])N[C@@H]1CS[C@@H](C)C1 ZINC000306773116 351010397 /nfs/dbraw/zinc/01/03/97/351010397.db2.gz IIOODUOGGWZSSK-YUMQZZPRSA-N 1 0 201.339 1.404 10 0 BDAERO COC(=O)N1CCC[C@@H](c2cccc(N)n2)CC1 ZINC000616629948 351101517 /nfs/dbraw/zinc/10/15/17/351101517.db2.gz MMNNVYGHIJQUJA-SNVBAGLBSA-N 1 0 249.314 2.000 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cccc(N)n2)C1 ZINC000616631812 351108726 /nfs/dbraw/zinc/10/87/26/351108726.db2.gz DWWRVZZDOHGLMA-LLVKDONJSA-N 1 0 234.347 1.409 10 0 BDAERO CC(C)[N@@H+]1CCN[C@H](c2ccc(CCO)cc2)C1 ZINC000616632052 351110356 /nfs/dbraw/zinc/11/03/56/351110356.db2.gz FVZMDVQOAADCSW-HNNXBMFYSA-N 1 0 248.370 1.576 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2ccc(NC)cc2)C1 ZINC000616632645 351112061 /nfs/dbraw/zinc/11/20/61/351112061.db2.gz UZKDSFFLUALKTR-CYBMUJFWSA-N 1 0 219.332 1.695 10 0 BDAERO CNc1ccccc1[C@@H]1CN(C)CC[NH2+]1 ZINC000616632672 351112752 /nfs/dbraw/zinc/11/27/52/351112752.db2.gz OEQKIWUFVMSCLP-LBPRGKRZSA-N 1 0 205.305 1.304 10 0 BDAERO CC[N@@H+]1CCN[C@H](c2ccccc2N)C1 ZINC000616632868 351113833 /nfs/dbraw/zinc/11/38/33/351113833.db2.gz RLFUVYUVIRACSA-LBPRGKRZSA-N 1 0 205.305 1.235 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2ccc3nnccc3c2)C1 ZINC000616632746 351113889 /nfs/dbraw/zinc/11/38/89/351113889.db2.gz YVFBWHUVOSCFTH-CQSZACIVSA-N 1 0 242.326 1.596 10 0 BDAERO CCOC(=O)c1ccc([C@@H]2CN(C)CC[NH2+]2)cc1 ZINC000616633022 351114772 /nfs/dbraw/zinc/11/47/72/351114772.db2.gz WSBCFBNUNIHDOB-ZDUSSCGKSA-N 1 0 248.326 1.439 10 0 BDAERO OCCN1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000616633922 351116304 /nfs/dbraw/zinc/11/63/04/351116304.db2.gz HBHCQTCZNKHLCR-LBPRGKRZSA-N 1 0 240.734 1.279 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1ncc[nH]1 ZINC000616636502 351127030 /nfs/dbraw/zinc/12/70/30/351127030.db2.gz CGPNVXMNLMKALX-VIFPVBQESA-N 1 0 208.309 1.155 10 0 BDAERO c1ncc([C@@H]2C[NH2+]CCN2Cc2ccccc2)o1 ZINC000616635123 351118615 /nfs/dbraw/zinc/11/86/15/351118615.db2.gz BLXFRWQEBZQNSJ-ZDUSSCGKSA-N 1 0 243.310 1.821 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cc[nH]n1 ZINC000616636542 351126634 /nfs/dbraw/zinc/12/66/34/351126634.db2.gz DNPXSOGOUKJBJG-JTQLQIEISA-N 1 0 208.309 1.155 10 0 BDAERO c1c[nH]c([C@@H]2C[NH2+]CCN2Cc2ccccc2)n1 ZINC000616636567 351126800 /nfs/dbraw/zinc/12/68/00/351126800.db2.gz VBNATFONNRQBBQ-ZDUSSCGKSA-N 1 0 242.326 1.556 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000135864801 323447383 /nfs/dbraw/zinc/44/73/83/323447383.db2.gz XOLQMVKBJOOVNJ-WDEREUQCSA-N 1 0 210.321 1.243 10 0 BDAERO OCC[N@@H+]1CCCCC[C@H]1c1ccnnc1 ZINC000616625482 351093768 /nfs/dbraw/zinc/09/37/68/351093768.db2.gz OIBOZYQCCKUOFF-LBPRGKRZSA-N 1 0 221.304 1.386 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ccc(CO)cc2)CC1 ZINC000616629046 351099228 /nfs/dbraw/zinc/09/92/28/351099228.db2.gz QTWOFNPTUIDMDM-CQSZACIVSA-N 1 0 249.354 1.741 10 0 BDAERO C[C@H]1CCN(C[C@@H]2CC[NH2+]2)CCS1 ZINC000306834651 351147001 /nfs/dbraw/zinc/14/70/01/351147001.db2.gz RPSAXCMUIGAWEL-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO Cn1ncc(Br)c1[C@H]1C[C@@H]1C[NH3+] ZINC000306836869 351147785 /nfs/dbraw/zinc/14/77/85/351147785.db2.gz UPGSYIQHPHHPSZ-RITPCOANSA-N 1 0 230.109 1.245 10 0 BDAERO Cn1ncc(Br)c1[C@@H]1C[C@@H]1C[NH3+] ZINC000306836867 351147934 /nfs/dbraw/zinc/14/79/34/351147934.db2.gz UPGSYIQHPHHPSZ-PHDIDXHHSA-N 1 0 230.109 1.245 10 0 BDAERO Cl/C=C/C[NH+]1CCC2(CCO2)CC1 ZINC000306735913 180567201 /nfs/dbraw/zinc/56/72/01/180567201.db2.gz WTBUIBFYFVPKRT-ORCRQEGFSA-N 1 0 201.697 1.994 10 0 BDAERO CNc1ccc([C@@H]2COCCC[NH2+]2)cc1 ZINC000616647180 351165140 /nfs/dbraw/zinc/16/51/40/351165140.db2.gz LPXJHAYWLCINRS-LBPRGKRZSA-N 1 0 206.289 1.779 10 0 BDAERO OCC[N@@H+]1CCCOC[C@H]1c1ccc(F)cc1 ZINC000616645129 351166824 /nfs/dbraw/zinc/16/68/24/351166824.db2.gz LCHJWZWMZPKMPI-ZDUSSCGKSA-N 1 0 239.290 1.581 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cncnc1 ZINC000616645220 351166847 /nfs/dbraw/zinc/16/68/47/351166847.db2.gz INHCLPXLWURBBQ-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO c1cc2ccc([C@@H]3COCCC[NH2+]3)cc2nn1 ZINC000616646024 351169381 /nfs/dbraw/zinc/16/93/81/351169381.db2.gz DHDKIHMGUSOOJV-ZDUSSCGKSA-N 1 0 229.283 1.681 10 0 BDAERO OCc1ccccc1[C@@H]1COCCC[NH2+]1 ZINC000616646157 351170375 /nfs/dbraw/zinc/17/03/75/351170375.db2.gz FTNLWZBVTWEQLA-LBPRGKRZSA-N 1 0 207.273 1.230 10 0 BDAERO CCOC(=O)c1ccccc1[C@H]1C[NH2+]CCCO1 ZINC000616651228 351181575 /nfs/dbraw/zinc/18/15/75/351181575.db2.gz MBIOVAQFDRUCLA-CYBMUJFWSA-N 1 0 249.310 1.914 10 0 BDAERO c1ccc2nnc([C@@H]3C[NH2+]CCCO3)cc2c1 ZINC000616653311 351186223 /nfs/dbraw/zinc/18/62/23/351186223.db2.gz SALGGTKHNWGELI-ZDUSSCGKSA-N 1 0 229.283 1.681 10 0 BDAERO C[N@@H+]1CCCO[C@H](c2ccccc2C(N)=O)C1 ZINC000616653222 351188093 /nfs/dbraw/zinc/18/80/93/351188093.db2.gz ZBZCNWLSBYGPPJ-LBPRGKRZSA-N 1 0 234.299 1.179 10 0 BDAERO [NH3+]CCN1CCCO[C@@H](c2ccccc2F)C1 ZINC000616651921 351188705 /nfs/dbraw/zinc/18/87/05/351188705.db2.gz BQFLUXNZEWIWST-CYBMUJFWSA-N 1 0 238.306 1.548 10 0 BDAERO CC(C)(C)N1CCOC[C@@H]1c1cc[nH]n1 ZINC000616637029 351131239 /nfs/dbraw/zinc/13/12/39/351131239.db2.gz JRXUBKXGWLXQPY-SNVBAGLBSA-N 1 0 209.293 1.582 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000616637188 351133698 /nfs/dbraw/zinc/13/36/98/351133698.db2.gz IUNARTUDHSXYHB-LBPRGKRZSA-N 1 0 219.332 1.826 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1ccncn1 ZINC000616637793 351134359 /nfs/dbraw/zinc/13/43/59/351134359.db2.gz RJLGATXNUKFWFW-LLVKDONJSA-N 1 0 220.320 1.221 10 0 BDAERO CC(=O)Nc1cccc([C@@H]2C[NH2+]CCN2C)c1 ZINC000616638529 351139985 /nfs/dbraw/zinc/13/99/85/351139985.db2.gz WVQMWSQOVMYRPJ-ZDUSSCGKSA-N 1 0 233.315 1.221 10 0 BDAERO CN1CCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616676705 351241651 /nfs/dbraw/zinc/24/16/51/351241651.db2.gz IGTWPZZJQSBTPK-CYBMUJFWSA-N 1 0 221.300 1.225 10 0 BDAERO CCN1CCO[C@@H](c2ccccc2CO)C1 ZINC000616676713 351241699 /nfs/dbraw/zinc/24/16/99/351241699.db2.gz IOIZIPOIAJUFEM-CYBMUJFWSA-N 1 0 221.300 1.572 10 0 BDAERO CCN1CCO[C@@H](c2ccc(CO)cc2)C1 ZINC000616675414 351242989 /nfs/dbraw/zinc/24/29/89/351242989.db2.gz BGLOMYQAQBKONP-CYBMUJFWSA-N 1 0 221.300 1.572 10 0 BDAERO Nc1cccc([C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000616677235 351243497 /nfs/dbraw/zinc/24/34/97/351243497.db2.gz XLZYQEDKKQKJRF-CQSZACIVSA-N 1 0 225.295 1.899 10 0 BDAERO C[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000616684134 351255095 /nfs/dbraw/zinc/25/50/95/351255095.db2.gz DHLTVQPJKDQKHN-JTQLQIEISA-N 1 0 244.335 1.232 10 0 BDAERO CN(C)[C@@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616684141 351255105 /nfs/dbraw/zinc/25/51/05/351255105.db2.gz DMUKXPVNWBLTRI-JTQLQIEISA-N 1 0 200.326 1.395 10 0 BDAERO COC(=O)N1CCCC[C@@H](n2ccnc2)C1 ZINC000616654248 351195507 /nfs/dbraw/zinc/19/55/07/351195507.db2.gz QTZYJHGWOIUNNW-SNVBAGLBSA-N 1 0 223.276 1.677 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cccnn1 ZINC000616655528 351196641 /nfs/dbraw/zinc/19/66/41/351196641.db2.gz FZUIXFARGXWPTD-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO C[N@@H+]1CCOCC[C@H]1c1ccc(N)cc1 ZINC000616656839 351197141 /nfs/dbraw/zinc/19/71/41/351197141.db2.gz HZUSFWHTKDBGMG-LBPRGKRZSA-N 1 0 206.289 1.662 10 0 BDAERO C[N@@H+]1CCOCC[C@H]1c1cccc(CO)c1 ZINC000616657029 351197561 /nfs/dbraw/zinc/19/75/61/351197561.db2.gz MBEPJDARCMXVNH-ZDUSSCGKSA-N 1 0 221.300 1.572 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cnco1 ZINC000616656345 351202671 /nfs/dbraw/zinc/20/26/71/351202671.db2.gz SOWZZFNSWZNKHF-SNVBAGLBSA-N 1 0 210.277 1.846 10 0 BDAERO C[N@@H+]1CCOCC[C@H]1c1ccc(CCO)cc1 ZINC000616660411 351205167 /nfs/dbraw/zinc/20/51/67/351205167.db2.gz ZLAJTEVAQDZBKX-AWEZNQCLSA-N 1 0 235.327 1.615 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](c2cccnn2)C1 ZINC000616659094 351206025 /nfs/dbraw/zinc/20/60/25/351206025.db2.gz BZTHZRLANZETCE-NSHDSACASA-N 1 0 221.304 1.301 10 0 BDAERO CCOC(=O)c1ccc([C@H]2CCOCC[NH2+]2)cc1 ZINC000616659704 351208007 /nfs/dbraw/zinc/20/80/07/351208007.db2.gz OCUIVCULGBHXHU-CYBMUJFWSA-N 1 0 249.310 1.914 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](n2cccn2)C1 ZINC000616660009 351209001 /nfs/dbraw/zinc/20/90/01/351209001.db2.gz IQRRHWGXZPIHDG-NSHDSACASA-N 1 0 209.293 1.165 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](c2ncccn2)C1 ZINC000616661423 351210075 /nfs/dbraw/zinc/21/00/75/351210075.db2.gz RYDVTTVRQNXQRY-NSHDSACASA-N 1 0 221.304 1.301 10 0 BDAERO CCOC(=O)c1ccccc1[C@@H]1C[NH2+]CCOC1 ZINC000616661888 351211743 /nfs/dbraw/zinc/21/17/43/351211743.db2.gz BGRWKEPHJVHQIL-LLVKDONJSA-N 1 0 249.310 1.567 10 0 BDAERO CC[N@@H+]1CCOC[C@@H](c2ccccn2)C1 ZINC000616660583 351212166 /nfs/dbraw/zinc/21/21/66/351212166.db2.gz KOADVTTUMDQKLI-NSHDSACASA-N 1 0 206.289 1.517 10 0 BDAERO C[NH2+][C@H]1CCN(Cc2ccccc2)CCO1 ZINC000616663609 351216351 /nfs/dbraw/zinc/21/63/51/351216351.db2.gz UPSDNISMEHZCKC-CYBMUJFWSA-N 1 0 220.316 1.454 10 0 BDAERO c1cnc2c(c1)cccc2[C@@H]1C[NH2+]CCOC1 ZINC000616664146 351217350 /nfs/dbraw/zinc/21/73/50/351217350.db2.gz WBODZXJNCIYXDV-GFCCVEGCSA-N 1 0 228.295 1.938 10 0 BDAERO OC[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616664200 351219232 /nfs/dbraw/zinc/21/92/32/351219232.db2.gz WYNGSQKLEVZWDY-ZDUSSCGKSA-N 1 0 221.300 1.127 10 0 BDAERO CCOC(=O)c1ccc([C@@H]2CC[NH2+]CCO2)cc1 ZINC000616665189 351221499 /nfs/dbraw/zinc/22/14/99/351221499.db2.gz QOMGVZHNGHSOTP-ZDUSSCGKSA-N 1 0 249.310 1.914 10 0 BDAERO CNc1cccc([C@@H]2CC[NH2+]CCO2)c1 ZINC000616665100 351221839 /nfs/dbraw/zinc/22/18/39/351221839.db2.gz LOVLVFBHEPWVSV-LBPRGKRZSA-N 1 0 206.289 1.779 10 0 BDAERO OCC[N@@H+]1CCO[C@H](c2ccccc2F)CC1 ZINC000616665736 351223183 /nfs/dbraw/zinc/22/31/83/351223183.db2.gz WDKIMFICOBFBQO-ZDUSSCGKSA-N 1 0 239.290 1.581 10 0 BDAERO COC(=O)N1c2ccccc2CC[C@H]1CC[NH3+] ZINC000616666994 351227389 /nfs/dbraw/zinc/22/73/89/351227389.db2.gz BLLSFFSZSKUIKA-NSHDSACASA-N 1 0 234.299 1.923 10 0 BDAERO COC(=O)N1c2ccccc2CC[C@@H]1CC[NH3+] ZINC000616666955 351227482 /nfs/dbraw/zinc/22/74/82/351227482.db2.gz BLLSFFSZSKUIKA-LLVKDONJSA-N 1 0 234.299 1.923 10 0 BDAERO C[C@@H]1CNC[C@@H](C)[NH+]1C[C@@H]1CCSC1 ZINC000306889085 351297818 /nfs/dbraw/zinc/29/78/18/351297818.db2.gz WYMRLARXKZPDSV-MXWKQRLJSA-N 1 0 214.378 1.422 10 0 BDAERO [NH3+][C@@H]1CCN(c2occc2Br)C1 ZINC000068980779 351311615 /nfs/dbraw/zinc/31/16/15/351311615.db2.gz PUGILOYKSMKMIL-ZCFIWIBFSA-N 1 0 231.093 1.580 10 0 BDAERO CC(C)(C[NH3+])n1cc(Br)cn1 ZINC000168048376 351271447 /nfs/dbraw/zinc/27/14/47/351271447.db2.gz IXOKFEKRZOBQPK-UHFFFAOYSA-N 1 0 218.098 1.339 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](N2CN=NC2=S)C1 ZINC000306881246 351279013 /nfs/dbraw/zinc/27/90/13/351279013.db2.gz LWBIJIBWRIEODX-QMMMGPOBSA-N 1 0 212.322 1.222 10 0 BDAERO CC[NH+](CC)CCC[C@@H](C)NC(N)=S ZINC000034971911 351369598 /nfs/dbraw/zinc/36/95/98/351369598.db2.gz KZNSQGNGCFIKLL-SECBINFHSA-N 1 0 217.382 1.330 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1C(=[NH2+])NCc1ccccc1 ZINC000306969235 351386782 /nfs/dbraw/zinc/38/67/82/351386782.db2.gz PFETZLSEDRVTFY-NEPJUHHUSA-N 1 0 247.342 1.820 10 0 BDAERO Clc1csc(NCC2C[NH2+]C2)n1 ZINC000306973503 351395363 /nfs/dbraw/zinc/39/53/63/351395363.db2.gz VLGDREPLKCAIJB-UHFFFAOYSA-N 1 0 203.698 1.428 10 0 BDAERO CCOCCC[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000034936832 351351327 /nfs/dbraw/zinc/35/13/27/351351327.db2.gz OAOQQHDDSHIZNW-LLVKDONJSA-N 1 0 242.363 1.450 10 0 BDAERO CCCCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000034937519 351352284 /nfs/dbraw/zinc/35/22/84/351352284.db2.gz JQMPKWBNOOPIRG-NSHDSACASA-N 1 0 214.353 1.927 10 0 BDAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]CC1CC1 ZINC000034939895 351356026 /nfs/dbraw/zinc/35/60/26/351356026.db2.gz BOHKYGCTRIYVHY-SECBINFHSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@H]1CSC(NCc2cnns2)=[NH+]1 ZINC000306987596 351403958 /nfs/dbraw/zinc/40/39/58/351403958.db2.gz QHDAEEDKGARRPK-YFKPBYRVSA-N 1 0 214.319 1.119 10 0 BDAERO Cn1cc([C@@H]([NH3+])c2c(F)cccc2F)cn1 ZINC000034957645 351362969 /nfs/dbraw/zinc/36/29/69/351362969.db2.gz QXSQBDSKDVMZIL-LLVKDONJSA-N 1 0 223.226 1.746 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1N1CCC=C(Cl)C1 ZINC000404465012 351466958 /nfs/dbraw/zinc/46/69/58/351466958.db2.gz WMLGPBRNIWBEIQ-ZJUUUORDSA-N 1 0 200.713 1.695 10 0 BDAERO CC(C)[C@@H]1[C@@H](C)[NH2+]C[C@@H](C)C[S@@]1=O ZINC000307072002 351467081 /nfs/dbraw/zinc/46/70/81/351467081.db2.gz YBCDWKKAMROPCQ-PRFIWBCESA-N 1 0 203.351 1.388 10 0 BDAERO CC(C)[C@@H]1[C@H](C)[NH2+]C(C)(C)C[S@@]1=O ZINC000307056946 351456423 /nfs/dbraw/zinc/45/64/23/351456423.db2.gz DWZUVTVZBNDIRF-RWEMILLDSA-N 1 0 203.351 1.530 10 0 BDAERO Cc1ccc(F)c([C@@H](N)CC[NH3+])c1F ZINC000307061463 351460010 /nfs/dbraw/zinc/46/00/10/351460010.db2.gz LCDHYQQCTHBVPP-QMMMGPOBSA-N 1 0 200.232 1.622 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1N1CCSCC1 ZINC000307009516 351416636 /nfs/dbraw/zinc/41/66/36/351416636.db2.gz INBUYJAGTQWDOS-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO COc1ncccc1C(=O)C1([NH3+])CCC1 ZINC000307128923 351492693 /nfs/dbraw/zinc/49/26/93/351492693.db2.gz PPTDMZKPCOOOMR-UHFFFAOYSA-N 1 0 206.245 1.154 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1OC ZINC000725268191 538100335 /nfs/dbraw/zinc/10/03/35/538100335.db2.gz KJIZLLJQEZXZSN-ZWNOBZJWSA-N 1 0 236.315 1.108 10 0 BDAERO CC(C)(N1CC[C@H](C[NH3+])C1)C(F)(F)F ZINC000307146961 351498885 /nfs/dbraw/zinc/49/88/85/351498885.db2.gz HKKCBUZQOCGQOH-SSDOTTSWSA-N 1 0 210.243 1.608 10 0 BDAERO CSC1CCN([C@H](C)[C@@H](C)[NH3+])CC1 ZINC000307148467 351502319 /nfs/dbraw/zinc/50/23/19/351502319.db2.gz QDEQABDWHKRZPL-RKDXNWHRSA-N 1 0 202.367 1.550 10 0 BDAERO C/C(=C\Cl)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000232008582 351505638 /nfs/dbraw/zinc/50/56/38/351505638.db2.gz GOBPGCWLTXNGGG-DQRKKKBRSA-N 1 0 202.729 1.811 10 0 BDAERO C[C@H]1[C@H](NC=O)CC[N@@H+]1Cc1ccccc1 ZINC000307153745 351506734 /nfs/dbraw/zinc/50/67/34/351506734.db2.gz KETKYSYPIZNJKR-WCQYABFASA-N 1 0 218.300 1.395 10 0 BDAERO Clc1cnc(S[C@@H]2CC[NH2+]C2)nc1 ZINC000095070066 180598496 /nfs/dbraw/zinc/59/84/96/180598496.db2.gz YULCUKPZBZSEBM-SSDOTTSWSA-N 1 0 215.709 1.584 10 0 BDAERO C[C@@H]1CN([C@@H]2CSC2(C)C)CCC1=O ZINC000307160112 351510759 /nfs/dbraw/zinc/51/07/59/351510759.db2.gz JPTXZJJBGNHHLG-PSASIEDQSA-N 1 0 213.346 1.791 10 0 BDAERO Clc1ncc(COC[C@@H]2CC[NH2+]C2)s1 ZINC000095070219 180601511 /nfs/dbraw/zinc/60/15/11/180601511.db2.gz RYOYIKAUUQUDFV-SSDOTTSWSA-N 1 0 232.736 1.923 10 0 BDAERO C[C@H]1[NH2+]C[C@@H](C)C[C@@H]1NC(=O)OC(C)(C)C ZINC000404490158 351478537 /nfs/dbraw/zinc/47/85/37/351478537.db2.gz PGLZRZQJMRDOTE-AEJSXWLSSA-N 1 0 228.336 1.898 10 0 BDAERO O=C(C[NH+]1CCCCC1)C1CCOCC1 ZINC000307124393 351490570 /nfs/dbraw/zinc/49/05/70/351490570.db2.gz RDNBIUBVTPJUDS-UHFFFAOYSA-N 1 0 211.305 1.468 10 0 BDAERO [NH3+]C/C=C/C(=O)Nc1ccc(Cl)cn1 ZINC000307162264 351521203 /nfs/dbraw/zinc/52/12/03/351521203.db2.gz YDJPEUXDPKQVRQ-OWOJBTEDSA-N 1 0 211.652 1.188 10 0 BDAERO C/C(=C/Cl)CN1CC[NH2+]C[C@@H]1C1CC1 ZINC000232012483 351530817 /nfs/dbraw/zinc/53/08/17/351530817.db2.gz VKCZDXDDLJPYNK-DHHDDZJSSA-N 1 0 214.740 1.813 10 0 BDAERO CC[C@H]1CS[C@]2(CCOC2(C)C)[NH2+]1 ZINC000307168031 351537885 /nfs/dbraw/zinc/53/78/85/351537885.db2.gz TZHNHYNWGUDRFP-WPRPVWTQSA-N 1 0 201.335 1.997 10 0 BDAERO CC1(C)SC[C@@H]1[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000307168860 351542689 /nfs/dbraw/zinc/54/26/89/351542689.db2.gz WFLZNZDRCXMQCV-IUCAKERBSA-N 1 0 200.351 1.161 10 0 BDAERO Cn1c(CC[NH2+]CCO)cc2ccccc21 ZINC000039110036 180617474 /nfs/dbraw/zinc/61/74/74/180617474.db2.gz LXYRKTXIIQGGPM-UHFFFAOYSA-N 1 0 218.300 1.303 10 0 BDAERO C[C@@H]([C@@H]1CCC[NH2+]1)N1CCSCC1 ZINC000307188247 351590764 /nfs/dbraw/zinc/59/07/64/351590764.db2.gz WSBGCKYJXZLIOP-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO Cc1ccccc1CC1CC(C[NH3+])(CO)C1 ZINC000606302155 351554620 /nfs/dbraw/zinc/55/46/20/351554620.db2.gz FECAXIRMABCEIU-UHFFFAOYSA-N 1 0 219.328 1.885 10 0 BDAERO CN(c1nc(Cl)cs1)C1CC([NH3+])C1 ZINC000307215772 351618457 /nfs/dbraw/zinc/61/84/57/351618457.db2.gz BKDGTGAZMQYTAE-UHFFFAOYSA-N 1 0 217.725 1.722 10 0 BDAERO Cn1cnnc1[C@@H]([NH3+])[C@@H]1CCCCS1 ZINC000307217420 351618483 /nfs/dbraw/zinc/61/84/83/351618483.db2.gz CDCKERUDCNABBT-YUMQZZPRSA-N 1 0 212.322 1.101 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@H]1C(=O)Cc1nccs1 ZINC000307231970 351687591 /nfs/dbraw/zinc/68/75/91/351687591.db2.gz DMWGFOPAERXDGW-BDAKNGLRSA-N 1 0 224.329 1.500 10 0 BDAERO [NH3+][C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC000307233606 351702516 /nfs/dbraw/zinc/70/25/16/351702516.db2.gz FBBLVOFUQWHXCO-SECBINFHSA-N 1 0 204.264 1.455 10 0 BDAERO CCc1nc([C@@H](O)[C@@H]2CCC[NH2+]2)cs1 ZINC000307228250 351673174 /nfs/dbraw/zinc/67/31/74/351673174.db2.gz HLIGGEZDKSYLOJ-XVKPBYJWSA-N 1 0 212.318 1.491 10 0 BDAERO C[C@]1(CN=S2(=O)CCCC2)CC[NH2+]C1 ZINC000307236500 351724729 /nfs/dbraw/zinc/72/47/29/351724729.db2.gz DVNDESZCAGWYGU-JTQLQIEISA-N 1 0 216.350 1.248 10 0 BDAERO CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000637866893 351727226 /nfs/dbraw/zinc/72/72/26/351727226.db2.gz CZIWUQIKBOQPKG-SRVKXCTJSA-N 1 0 242.363 1.386 10 0 BDAERO [NH3+][C@H](Cc1csnn1)C1CC(F)(F)C1 ZINC000307238583 351728350 /nfs/dbraw/zinc/72/83/50/351728350.db2.gz HFLGHLYJCFMUCP-SSDOTTSWSA-N 1 0 219.260 1.453 10 0 BDAERO C[C@@H]1CC[C@]2(C[NH2+]1)NC(C)(C)CS2 ZINC000307240255 351733284 /nfs/dbraw/zinc/73/32/84/351733284.db2.gz GVSAPYQNFPJWHO-SCZZXKLOSA-N 1 0 200.351 1.570 10 0 BDAERO CNC(=O)C1C[NH+]([C@@H]2C=CCCCCC2)C1 ZINC000606432160 351743866 /nfs/dbraw/zinc/74/38/66/351743866.db2.gz GPIAKONCWHZDJK-GFCCVEGCSA-N 1 0 222.332 1.553 10 0 BDAERO C[NH2+]C(C)(C)[C@@H](O)c1csc(C)n1 ZINC000307254123 351788708 /nfs/dbraw/zinc/78/87/08/351788708.db2.gz WYEOVLJOMFRJSE-QMMMGPOBSA-N 1 0 200.307 1.483 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CCCC1=O ZINC000307251038 351770541 /nfs/dbraw/zinc/77/05/41/351770541.db2.gz QALRPFKUENDCSR-VWYCJHECSA-N 1 0 211.305 1.201 10 0 BDAERO CC(F)(F)CC(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000307273873 351828108 /nfs/dbraw/zinc/82/81/08/351828108.db2.gz XQBZCUBYEIIYDS-BQBZGAKWSA-N 1 0 206.236 1.028 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638039227 351920073 /nfs/dbraw/zinc/92/00/73/351920073.db2.gz SHSSDCLXVLLVIE-NTZNESFSSA-N 1 0 240.347 1.047 10 0 BDAERO CC(C)=CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917380 187567544 /nfs/dbraw/zinc/56/75/44/187567544.db2.gz MCKQBSRXHJEFKW-CHWSQXEVSA-N 1 0 236.359 1.943 10 0 BDAERO CCOCCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083825829 351954583 /nfs/dbraw/zinc/95/45/83/351954583.db2.gz OLXIBMZSBSUZJR-QWHCGFSZSA-N 1 0 226.364 1.582 10 0 BDAERO CS[C@@H]1CCC[N@@H+]([C@H](C)[C@H](C)N)CC1 ZINC000307317673 351991279 /nfs/dbraw/zinc/99/12/79/351991279.db2.gz LBAVSSASFUYYFZ-HBNTYKKESA-N 1 0 216.394 1.940 10 0 BDAERO Brc1cnccc1C1=[NH+]CCCN1 ZINC000307317563 351991535 /nfs/dbraw/zinc/99/15/35/351991535.db2.gz OTJQWFCSWIXDCH-UHFFFAOYSA-N 1 0 240.104 1.584 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1CCC=CCC1 ZINC000638207962 352070776 /nfs/dbraw/zinc/07/07/76/352070776.db2.gz QWGXGEUPVJKFHN-WCQYABFASA-N 1 0 236.359 1.990 10 0 BDAERO CC1(C)SC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000307326652 352019605 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/nfs/dbraw/zinc/11/03/29/363110329.db2.gz PSNGADOYJXSXSA-BDAKNGLRSA-N 1 0 212.322 1.193 10 0 BDAERO Cn1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)n1 ZINC000300416709 180689016 /nfs/dbraw/zinc/68/90/16/180689016.db2.gz VGZDXIADKOKXSX-JHJVBQTASA-N 1 0 249.358 1.366 10 0 BDAERO CC[C@@H]1CN([C@H](C)[C@@H](C)[NH3+])CCCO1 ZINC000300911717 363120650 /nfs/dbraw/zinc/12/06/50/363120650.db2.gz OYFZTHZLWJZPHB-GMTAPVOTSA-N 1 0 200.326 1.223 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037362369 363154903 /nfs/dbraw/zinc/15/49/03/363154903.db2.gz AENGTYPAYPZGMS-SNVBAGLBSA-N 1 0 221.256 1.184 10 0 BDAERO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCn1cncn1 ZINC000309718429 187654631 /nfs/dbraw/zinc/65/46/31/187654631.db2.gz ZSEMXHAOBBQNFR-MNOVXSKESA-N 1 0 222.336 1.692 10 0 BDAERO C[C@]1(O)CC[NH2+]C[C@@H]1SC1CCCC1 ZINC000300940694 363177292 /nfs/dbraw/zinc/17/72/92/363177292.db2.gz XSUIYODPQCOKGC-QWRGUYRKSA-N 1 0 215.362 1.775 10 0 BDAERO C(OC[C@@H]1CCCCO1)[C@@H]1CCCC[NH2+]1 ZINC000019505533 187657945 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/nfs/dbraw/zinc/43/12/08/352431208.db2.gz CMTIJXZPJIOWIY-YPMHNXCESA-N 1 0 247.342 1.394 10 0 BDAERO Cc1ncccc1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000638600519 352432925 /nfs/dbraw/zinc/43/29/25/352432925.db2.gz AYHRXXRCAPMENZ-CQSZACIVSA-N 1 0 247.342 1.538 10 0 BDAERO Cc1ncccc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638599961 352433059 /nfs/dbraw/zinc/43/30/59/352433059.db2.gz PVEXGOUSQJTABE-LBPRGKRZSA-N 1 0 247.342 1.396 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC[C@H]2CC=CCC2)C1 ZINC000638602543 352438320 /nfs/dbraw/zinc/43/83/20/352438320.db2.gz WYZQLNINEJMEHO-RWMBFGLXSA-N 1 0 236.359 1.976 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000638649596 352491895 /nfs/dbraw/zinc/49/18/95/352491895.db2.gz YLQCCBXNTWHJRB-YIYTYNFBSA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H](Nc1ccc(Br)cn1)[C@H](C)[NH3+] ZINC000307371243 352471208 /nfs/dbraw/zinc/47/12/08/352471208.db2.gz PRZFBPFDABAIKZ-NKWVEPMBSA-N 1 0 244.136 1.992 10 0 BDAERO [NH3+]Cc1cc(SC2CCCC2)ncn1 ZINC000307415540 352589434 /nfs/dbraw/zinc/58/94/34/352589434.db2.gz KPZSDRQLJGGBBV-UHFFFAOYSA-N 1 0 209.318 1.970 10 0 BDAERO O=C1[C@H]2CC[NH2+]C[C@@H]2CN1Cc1ccccc1 ZINC000307411545 352589684 /nfs/dbraw/zinc/58/96/84/352589684.db2.gz HQBNUKOEZYAZBH-OLZOCXBDSA-N 1 0 230.311 1.255 10 0 BDAERO COc1ncc([C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000307424124 352592651 /nfs/dbraw/zinc/59/26/51/352592651.db2.gz VDNLQUAARMRDJO-HTQZYQBOSA-N 1 0 212.318 1.994 10 0 BDAERO CC(C)[NH+](C(C)C)[C@@H]1CCOC[C@H]1O ZINC000725273057 538104508 /nfs/dbraw/zinc/10/45/08/538104508.db2.gz PZOKYICHPZSFHX-GHMZBOCLSA-N 1 0 201.310 1.255 10 0 BDAERO C[C@@H]1CCN(C(=O)NCc2ccccc2)C[C@H]1[NH3+] ZINC000232306627 352612009 /nfs/dbraw/zinc/61/20/09/352612009.db2.gz VMRCQWUFXYDDPA-DGCLKSJQSA-N 1 0 247.342 1.565 10 0 BDAERO CC1(C)SC[C@H]1Nc1cc[nH+]c(N)c1 ZINC000307472070 352614335 /nfs/dbraw/zinc/61/43/35/352614335.db2.gz YXRZFGZRZVZUNC-MRVPVSSYSA-N 1 0 209.318 1.970 10 0 BDAERO C[C@]1(CO)CC[N@@H+]([C@H]2CCCCC2=O)C1 ZINC000307394913 352569201 /nfs/dbraw/zinc/56/92/01/352569201.db2.gz MVRANIGWPSQIQT-JQWIXIFHSA-N 1 0 211.305 1.202 10 0 BDAERO C[C@@]1([NH3+])CC=C(c2cccc(N)n2)CC1 ZINC000725272838 538104654 /nfs/dbraw/zinc/10/46/54/538104654.db2.gz SQORDPRDKPUMRZ-GFCCVEGCSA-N 1 0 203.289 1.949 10 0 BDAERO CC1(C)C[N@@H+]([C@@H]2CCC(=O)C2)CC[C@@H]1O ZINC000307404496 352579623 /nfs/dbraw/zinc/57/96/23/352579623.db2.gz KYQIDCWBFWAEHE-KOLCDFICSA-N 1 0 211.305 1.201 10 0 BDAERO CC1(C)CN([C@]2(C[NH3+])CCSC2)C1 ZINC000307405157 352580741 /nfs/dbraw/zinc/58/07/41/352580741.db2.gz JQRYYNQODLFHDO-JTQLQIEISA-N 1 0 200.351 1.163 10 0 BDAERO Cc1csc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000307549537 352647422 /nfs/dbraw/zinc/64/74/22/352647422.db2.gz PSQVLIWESJGDKR-VXNVDRBHSA-N 1 0 211.334 1.861 10 0 BDAERO CNC(=[NH2+])N[C@@H](C)CCOCc1ccccc1 ZINC000307554413 352648857 /nfs/dbraw/zinc/64/88/57/352648857.db2.gz WSHMIAPFMZBLBR-NSHDSACASA-N 1 0 235.331 1.726 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000307558603 352649337 /nfs/dbraw/zinc/64/93/37/352649337.db2.gz CWHMBHDJTKTFSO-KWQFWETISA-N 1 0 230.267 1.033 10 0 BDAERO C[C@@H]1CSCCN(C2(C[NH3+])CC2)C1 ZINC000307560165 352649399 /nfs/dbraw/zinc/64/93/99/352649399.db2.gz HCUHSTGOATXQGR-VIFPVBQESA-N 1 0 200.351 1.163 10 0 BDAERO COC[C@@H]1CC[C@@H]([C@H]2CCCCC[NH2+]2)O1 ZINC000307560044 352649525 /nfs/dbraw/zinc/64/95/25/352649525.db2.gz HADJJMAYRCMFHN-TUAOUCFPSA-N 1 0 213.321 1.713 10 0 BDAERO C[C@H]1[NH2+]CC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000307558604 352649565 /nfs/dbraw/zinc/64/95/65/352649565.db2.gz CWHMBHDJTKTFSO-LDYMZIIASA-N 1 0 230.267 1.033 10 0 BDAERO C[C@@H]1C[C@@H]([C@@H]([NH3+])Cc2cncs2)CO1 ZINC000229232095 352665896 /nfs/dbraw/zinc/66/58/96/352665896.db2.gz HPWCDKHYOSYGIO-MRTMQBJTSA-N 1 0 212.318 1.438 10 0 BDAERO CC(C)N1CC[C@@H]([NH3+])[C@H]1c1csnn1 ZINC000307614189 352672567 /nfs/dbraw/zinc/67/25/67/352672567.db2.gz OBSKDQXNMSFRLV-APPZFPTMSA-N 1 0 212.322 1.021 10 0 BDAERO Cc1nc([C@H]([NH3+])C2CSC2)cs1 ZINC000405019397 352669181 /nfs/dbraw/zinc/66/91/81/352669181.db2.gz QPLKXGXGXAEKOP-MRVPVSSYSA-N 1 0 200.332 1.814 10 0 BDAERO [NH3+]Cc1ccnc2[nH]c(CC3CC3)nc21 ZINC000725273935 538104876 /nfs/dbraw/zinc/10/48/76/538104876.db2.gz WLRDDQGBVABQQH-UHFFFAOYSA-N 1 0 202.261 1.369 10 0 BDAERO Cc1nnsc1CO[C@@H]1CCC[C@@H]1[NH3+] ZINC000307499998 352627087 /nfs/dbraw/zinc/62/70/87/352627087.db2.gz MEXFHMLUOGVALT-JGVFFNPUSA-N 1 0 213.306 1.243 10 0 BDAERO Cc1nc([C@@H]([NH3+])Cc2nccs2)co1 ZINC000307501341 352629534 /nfs/dbraw/zinc/62/95/34/352629534.db2.gz IIAJNHAQFCUUBX-ZETCQYMHSA-N 1 0 209.274 1.682 10 0 BDAERO Cc1nc([C@H](N)c2cscn2)cs1 ZINC000307512677 352632224 /nfs/dbraw/zinc/63/22/24/352632224.db2.gz PSPJENFGIVFSLD-MRVPVSSYSA-N 1 0 211.315 1.956 10 0 BDAERO Cc1ccc([C@]2(C[NH3+])CCCS2)nn1 ZINC000307520859 352635839 /nfs/dbraw/zinc/63/58/39/352635839.db2.gz RQQVIPYYSUATDT-SNVBAGLBSA-N 1 0 209.318 1.466 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCC3(CC3)CC2)C1 ZINC000638755675 352689460 /nfs/dbraw/zinc/68/94/60/352689460.db2.gz DLDXFZMEOFQTME-NWDGAFQWSA-N 1 0 236.359 1.907 10 0 BDAERO CC[NH2+][C@@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C ZINC000253162250 538105078 /nfs/dbraw/zinc/10/50/78/538105078.db2.gz VRBMJBYLEISNOQ-GHMZBOCLSA-N 1 0 248.392 1.045 10 0 BDAERO C[C@@H]1CSC[C@@H]1N(C)[C@H]1CCC[NH2+]C1 ZINC000307616783 352675031 /nfs/dbraw/zinc/67/50/31/352675031.db2.gz QQPHETXBPAPVFX-VWYCJHECSA-N 1 0 214.378 1.422 10 0 BDAERO C[C@@H]([NH3+])Cc1noc(C(C)(Cl)Cl)n1 ZINC000307614910 352675172 /nfs/dbraw/zinc/67/51/72/352675172.db2.gz NXMADFOWNANILC-SCSAIBSYSA-N 1 0 224.091 1.610 10 0 BDAERO C/C(C[NH3+])=C1/CCC[C@@H](S(C)(=O)=O)C1 ZINC000232458233 352678418 /nfs/dbraw/zinc/67/84/18/352678418.db2.gz YASBKXDCZQLLTK-AAXQSMANSA-N 1 0 217.334 1.249 10 0 BDAERO COc1ccccc1[C@@H](O)[C@H]([NH3+])C(C)C ZINC000032012276 352735030 /nfs/dbraw/zinc/73/50/30/352735030.db2.gz CVZALOYYIBZOEH-VXGBXAGGSA-N 1 0 209.289 1.712 10 0 BDAERO CC(C)[C@H]1CCC[C@H](NC(=O)C2C[NH2+]C2)C1 ZINC000263341992 535188221 /nfs/dbraw/zinc/18/82/21/535188221.db2.gz XWSJIIANJDWLSK-JQWIXIFHSA-N 1 0 224.348 1.537 10 0 BDAERO C[NH2+][C@@H]1CCN(CC2CCSCC2)C1 ZINC000229284095 352750174 /nfs/dbraw/zinc/75/01/74/352750174.db2.gz TZWBFSPSGAFMNE-LLVKDONJSA-N 1 0 214.378 1.423 10 0 BDAERO Cn1nc(-c2cccc(F)c2)c2c1CC[NH2+]C2 ZINC000028014090 180799821 /nfs/dbraw/zinc/79/98/21/180799821.db2.gz OXHWPKOYIZENQK-UHFFFAOYSA-N 1 0 231.274 1.872 10 0 BDAERO COC[C@H]([NH2+][C@H]1C[C@@H]1C)C1CCOCC1 ZINC000187954166 352805920 /nfs/dbraw/zinc/80/59/20/352805920.db2.gz IWDXXHGRPQJFMR-DLOVCJGASA-N 1 0 213.321 1.426 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C[S@](=O)C2CCCC2)C1 ZINC000307685897 352850998 /nfs/dbraw/zinc/85/09/98/352850998.db2.gz ATZXIXZAEBLCFI-RBZYPMLTSA-N 1 0 215.362 1.805 10 0 BDAERO COC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000383432602 352980417 /nfs/dbraw/zinc/98/04/17/352980417.db2.gz CCGYXGRNXBFJSD-WOPDTQHZSA-N 1 0 241.331 1.175 10 0 BDAERO CC[C@@H]([NH3+])c1ncncc1Br ZINC000306460906 353016415 /nfs/dbraw/zinc/01/64/15/353016415.db2.gz IIVFYKUSPJCFCY-ZCFIWIBFSA-N 1 0 216.082 1.649 10 0 BDAERO CC(C)(C)NC(=O)N1CCCCC[C@H]1C[NH3+] ZINC000125061544 538106602 /nfs/dbraw/zinc/10/66/02/538106602.db2.gz CDONUNKFJLYTTJ-JTQLQIEISA-N 1 0 227.352 1.698 10 0 BDAERO C[C@@](O)(C[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000306618468 353029675 /nfs/dbraw/zinc/02/96/75/353029675.db2.gz SONHCKFWIRAWKT-HTQZYQBOSA-N 1 0 211.227 1.689 10 0 BDAERO Cn1ncc2c1C[C@H](c1ccco1)C[C@H]2[NH3+] ZINC000072415886 180827869 /nfs/dbraw/zinc/82/78/69/180827869.db2.gz OQSTYTDOPNZNME-PSASIEDQSA-N 1 0 217.272 1.743 10 0 BDAERO C[C@@](CCC[NH3+])([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000307702319 353008364 /nfs/dbraw/zinc/00/83/64/353008364.db2.gz UAJLWBVRAHIEIC-ZDUSSCGKSA-N 1 0 236.315 1.358 10 0 BDAERO CCC[N@@H+]1CC[C@@]2(C1)N[C@H](C)CS2 ZINC000307146009 353058107 /nfs/dbraw/zinc/05/81/07/353058107.db2.gz GVMJGCYIHLHVIX-NXEZZACHSA-N 1 0 200.351 1.523 10 0 BDAERO C[C@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1C[NH3+] ZINC000638891147 353059599 /nfs/dbraw/zinc/05/95/99/353059599.db2.gz SVIQIJCCNIVJBL-JGVFFNPUSA-N 1 0 238.253 1.382 10 0 BDAERO OC[C@H]1[NH2+]CC[C@@H]1c1ncc(Cl)s1 ZINC000307170060 353059631 /nfs/dbraw/zinc/05/96/31/353059631.db2.gz ZTHWVPGWQYBAAJ-NTSWFWBYSA-N 1 0 218.709 1.234 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@@H]1C[NH3+] ZINC000638905320 353060396 /nfs/dbraw/zinc/06/03/96/353060396.db2.gz TUNLAKJEBCBCGT-WOPDTQHZSA-N 1 0 222.332 1.396 10 0 BDAERO C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1C[NH3+] ZINC000638901432 353063061 /nfs/dbraw/zinc/06/30/61/353063061.db2.gz JYQMRANGGWVPAK-CMPLNLGQSA-N 1 0 236.359 1.620 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C[C@@H]1C[NH3+] ZINC000638901335 353063115 /nfs/dbraw/zinc/06/31/15/353063115.db2.gz JDGGLLPUEYTKJD-LBELIVKGSA-N 1 0 236.359 1.476 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1O ZINC000638903180 353064343 /nfs/dbraw/zinc/06/43/43/353064343.db2.gz NQWZKPPNDHANPF-PWSUYJOCSA-N 1 0 248.326 1.367 10 0 BDAERO Cn1ncc(C[C@@H]([NH3+])c2ccsc2)n1 ZINC000307314930 353068324 /nfs/dbraw/zinc/06/83/24/353068324.db2.gz LNXDZQRKDXQKIJ-SECBINFHSA-N 1 0 208.290 1.119 10 0 BDAERO C[C@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1C[NH3+] ZINC000638910401 353070648 /nfs/dbraw/zinc/07/06/48/353070648.db2.gz FAACVLLNWYBSAY-WDEREUQCSA-N 1 0 226.364 1.866 10 0 BDAERO C[C@H]1C[C@@H](NC=O)CC[N@@H+]1Cc1ccccc1 ZINC000307369004 353071179 /nfs/dbraw/zinc/07/11/79/353071179.db2.gz QPMIMVMZOWXRSY-JSGCOSHPSA-N 1 0 232.327 1.786 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1c1c(Br)cnn1C ZINC000306831021 353041624 /nfs/dbraw/zinc/04/16/24/353041624.db2.gz JVFUAGQXYQKQSR-NKWVEPMBSA-N 1 0 244.136 1.648 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1C[NH3+] ZINC000638887574 353049285 /nfs/dbraw/zinc/04/92/85/353049285.db2.gz WAYVXWXDTKNSFP-BDAKNGLRSA-N 1 0 224.329 1.415 10 0 BDAERO CCC(CC)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638889042 353050174 /nfs/dbraw/zinc/05/01/74/353050174.db2.gz ZRRDENFEPBXQDA-ONGXEEELSA-N 1 0 212.337 1.476 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1C[NH3+] ZINC000638884211 353051230 /nfs/dbraw/zinc/05/12/30/353051230.db2.gz BGXKVWCYMUTLAX-JGVFFNPUSA-N 1 0 242.706 1.600 10 0 BDAERO C[C@H]1CN(C(=O)COc2ccccc2)C[C@@H]1C[NH3+] ZINC000638888907 353052223 /nfs/dbraw/zinc/05/22/23/353052223.db2.gz YMGVORGYCHMLSB-RYUDHWBXSA-N 1 0 248.326 1.119 10 0 BDAERO C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@@H]1C[NH3+] ZINC000638886877 353053991 /nfs/dbraw/zinc/05/39/91/353053991.db2.gz JPKADMBSLGVKNY-MNOVXSKESA-N 1 0 224.348 1.620 10 0 BDAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC000307716369 353107990 /nfs/dbraw/zinc/10/79/90/353107990.db2.gz HULIOYUMUURYCQ-AXFHLTTASA-N 1 0 243.372 1.766 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(Br)ccn1 ZINC000307718401 353109201 /nfs/dbraw/zinc/10/92/01/353109201.db2.gz PANJSMOAVLMUNA-UHFFFAOYSA-N 1 0 244.092 1.002 10 0 BDAERO C[C@@H]1CCN[C@]2(CCC[NH2+][C@H]2C)S1 ZINC000307722138 353111218 /nfs/dbraw/zinc/11/12/18/353111218.db2.gz XYGHURDMKPRWNH-KXUCPTDWSA-N 1 0 200.351 1.570 10 0 BDAERO [NH3+][C@@H](c1ccsn1)[C@@H]1CSCCO1 ZINC000307728399 353114397 /nfs/dbraw/zinc/11/43/97/353114397.db2.gz GFCYSEIPXRVAMX-YUMQZZPRSA-N 1 0 216.331 1.275 10 0 BDAERO CC(C)[C@H](C)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638917271 353081385 /nfs/dbraw/zinc/08/13/85/353081385.db2.gz USDPJPCCHRGJFS-OUAUKWLOSA-N 1 0 212.337 1.332 10 0 BDAERO C[C@@H]1SCCS[C@H]1[C@H]([NH3+])C1=COCC1 ZINC000307751970 353128443 /nfs/dbraw/zinc/12/84/43/353128443.db2.gz QBFQJPLFPZRHAG-FXBDTBDDSA-N 1 0 231.386 1.855 10 0 BDAERO Cc1nc([C@@H]([NH3+])[C@H]2CSCCO2)cs1 ZINC000307735687 353120814 /nfs/dbraw/zinc/12/08/14/353120814.db2.gz QVUABVOXVBQHHH-RKDXNWHRSA-N 1 0 230.358 1.583 10 0 BDAERO [NH3+]C[C@H](c1cccc(O)c1)C1(CO)CCC1 ZINC000536954624 323963415 /nfs/dbraw/zinc/96/34/15/323963415.db2.gz QVXNZOHXOTURJA-GFCCVEGCSA-N 1 0 221.300 1.597 10 0 BDAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ncnc2[nH]ccc21 ZINC000420223217 192178637 /nfs/dbraw/zinc/17/86/37/192178637.db2.gz ZSIOYMCZQGQCOI-BDAKNGLRSA-N 1 0 231.303 1.131 10 0 BDAERO C[C@H]1C[NH+]=C(S[C@@H]2CCSC2)N1 ZINC000405251721 353151950 /nfs/dbraw/zinc/15/19/50/353151950.db2.gz KCKTUNMHTYRUMH-NKWVEPMBSA-N 1 0 202.348 1.573 10 0 BDAERO O=C(N[C@]12C[C@H]1CCCC2)[C@H]1CC[NH2+]C1 ZINC000638974369 353180165 /nfs/dbraw/zinc/18/01/65/353180165.db2.gz QWFDUBAYCUHNCC-HOSYDEDBSA-N 1 0 208.305 1.045 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@]12C[C@H]1CCCC2 ZINC000638975160 353180180 /nfs/dbraw/zinc/18/01/80/353180180.db2.gz XKEYVDWALDEBMC-OUCADQQQSA-N 1 0 236.359 1.825 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000638974653 353180505 /nfs/dbraw/zinc/18/05/05/353180505.db2.gz TWJFEYMVGFZAND-MNXVOIDGSA-N 1 0 236.359 1.810 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@]12C[C@H]1CCCC2 ZINC000638975502 353182402 /nfs/dbraw/zinc/18/24/02/353182402.db2.gz ZXIZKJRRPNVRHH-KZVDOYCCSA-N 1 0 236.359 1.823 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)cs1 ZINC000638994596 353234008 /nfs/dbraw/zinc/23/40/08/353234008.db2.gz OWPYTJNFFYGMFA-MRVPVSSYSA-N 1 0 210.302 1.605 10 0 BDAERO FC(F)(F)c1ccn(C[C@@H]2CC[NH2+]C2)n1 ZINC000051890464 180897096 /nfs/dbraw/zinc/89/70/96/180897096.db2.gz GQLJJMXDMXNQIK-SSDOTTSWSA-N 1 0 219.210 1.511 10 0 BDAERO FC(F)(F)c1ccn(CC2CC[NH2+]CC2)n1 ZINC000043497873 180897248 /nfs/dbraw/zinc/89/72/48/180897248.db2.gz YQHHBSMCWSUVBL-UHFFFAOYSA-N 1 0 233.237 1.902 10 0 BDAERO [NH3+]C1CC(O)(c2nc(Br)cs2)C1 ZINC000127804834 353274262 /nfs/dbraw/zinc/27/42/62/353274262.db2.gz UXJKTNOAPKBPLS-UHFFFAOYSA-N 1 0 249.133 1.214 10 0 BDAERO C[NH2+][C@@H](c1ccsc1)c1cnnn1C ZINC000128327293 353284798 /nfs/dbraw/zinc/28/47/98/353284798.db2.gz MMULKRLPLNXZTD-VIFPVBQESA-N 1 0 208.290 1.185 10 0 BDAERO C([NH2+][C@@H]1CCN2CCCC[C@@H]12)C1CCOCC1 ZINC000052172507 188258760 /nfs/dbraw/zinc/25/87/60/188258760.db2.gz RGSLMZHXXZBMPB-KGLIPLIRSA-N 1 0 238.375 1.629 10 0 BDAERO CC(C)([NH3+])CNc1ccnc2cccnc21 ZINC000341012639 188257007 /nfs/dbraw/zinc/25/70/07/188257007.db2.gz HFYKYACTFHXHRA-UHFFFAOYSA-N 1 0 216.288 1.201 10 0 BDAERO C[n+]1ccc(CS(=O)(=O)c2ccccc2)cc1 ZINC000005377946 188269717 /nfs/dbraw/zinc/26/97/17/188269717.db2.gz NMDCOPIKFSATIE-UHFFFAOYSA-N 1 0 248.327 1.485 10 0 BDAERO CC(=O)Nc1ccc([C@H](O)[C@@H]2CCC[NH2+]2)cc1 ZINC000074367685 188269760 /nfs/dbraw/zinc/26/97/60/188269760.db2.gz HAGAPBLNMLMIAF-STQMWFEESA-N 1 0 234.299 1.430 10 0 BDAERO CC(=O)C1(c2cccc(O)c2)CC[NH+](C)CC1 ZINC000005196329 188277765 /nfs/dbraw/zinc/27/77/65/188277765.db2.gz RNAGZQQIHXIDQH-UHFFFAOYSA-N 1 0 233.311 1.945 10 0 BDAERO CC(C)[C@H](C)[N@H+](C)[C@]1(CN)CCSC1 ZINC000036786906 188278631 /nfs/dbraw/zinc/27/86/31/188278631.db2.gz RGURXRJXIDMAEY-QWRGUYRKSA-N 1 0 216.394 1.797 10 0 BDAERO Cc1cccc(S(=O)(=O)[C@H](C)C[NH3+])c1 ZINC000011896624 188279084 /nfs/dbraw/zinc/27/90/84/188279084.db2.gz PDWGRFFVBXHVEX-SECBINFHSA-N 1 0 213.302 1.116 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)Nc1cccnc1Cl ZINC000037019957 188279538 /nfs/dbraw/zinc/27/95/38/188279538.db2.gz TWIINSRSNVWVTI-QMMMGPOBSA-N 1 0 227.695 1.657 10 0 BDAERO C/C=C/C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000037469453 188281179 /nfs/dbraw/zinc/28/11/79/188281179.db2.gz DWDOZVSCBVZOFZ-HWKANZROSA-N 1 0 210.321 1.553 10 0 BDAERO COc1ccc(CCN2[C@@H](C)C[NH2+]C[C@@H]2C)cc1 ZINC000019801289 188281515 /nfs/dbraw/zinc/28/15/15/188281515.db2.gz IWVKVNILZPAHSD-STQMWFEESA-N 1 0 248.370 1.920 10 0 BDAERO CN(C)c1ccc(N2C[C@@H](C[NH3+])CC2=O)cc1 ZINC000019669585 188281518 /nfs/dbraw/zinc/28/15/18/188281518.db2.gz ZDJIXKWUOBLQSS-SNVBAGLBSA-N 1 0 233.315 1.064 10 0 BDAERO Cc1ccc(OCC[C@](C)(O)C[NH3+])cc1C ZINC000019668299 188281636 /nfs/dbraw/zinc/28/16/36/188281636.db2.gz HEESDVYSWPSLSR-ZDUSSCGKSA-N 1 0 223.316 1.782 10 0 BDAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC000034978289 188285077 /nfs/dbraw/zinc/28/50/77/188285077.db2.gz PBUDMOOTDKHLIL-HUQFOHBGSA-N 1 0 232.283 1.673 10 0 BDAERO Cc1nn(Cc2ccncc2)c(C)c1C[NH3+] ZINC000036868353 188285742 /nfs/dbraw/zinc/28/57/42/188285742.db2.gz GTEPWQZUZPSYQM-UHFFFAOYSA-N 1 0 216.288 1.402 10 0 BDAERO CCc1ccc(O[C@@H]2COCC[C@@H]2[NH3+])cc1 ZINC000036305714 188286364 /nfs/dbraw/zinc/28/63/64/188286364.db2.gz VUCLWWVIZHVVIU-QWHCGFSZSA-N 1 0 221.300 1.744 10 0 BDAERO CC(C)(C)Oc1ccc([C@@H]([NH3+])CO)cc1 ZINC000071511779 188287708 /nfs/dbraw/zinc/28/77/08/188287708.db2.gz JJAQRBFLLOWZFU-NSHDSACASA-N 1 0 209.289 1.856 10 0 BDAERO CC(C)(C)n1cc(C[NH2+]Cc2cn[nH]c2)cn1 ZINC000038006398 188289955 /nfs/dbraw/zinc/28/99/55/188289955.db2.gz APLZOLQAUINGSH-UHFFFAOYSA-N 1 0 233.319 1.651 10 0 BDAERO CC(C)[N@H+](CCCO)Cc1ccc(O)c(N)c1 ZINC000042483009 188293717 /nfs/dbraw/zinc/29/37/17/188293717.db2.gz FGTAIXAMSSVDKN-UHFFFAOYSA-N 1 0 238.331 1.567 10 0 BDAERO [NH3+]Cc1cccnc1N(CCO)C1CCCC1 ZINC000042482779 188294194 /nfs/dbraw/zinc/29/41/94/188294194.db2.gz DAOSAKXZUMOOCP-UHFFFAOYSA-N 1 0 235.331 1.282 10 0 BDAERO Cc1ccccc1CC(=O)N(C)C[C@@H](C)C[NH3+] ZINC000042455112 188294266 /nfs/dbraw/zinc/29/42/66/188294266.db2.gz YRKFXVTZAJWKHR-NSHDSACASA-N 1 0 234.343 1.591 10 0 BDAERO C(NC1=[NH+]CCCS1)[C@@H]1CCCCO1 ZINC000042823869 188294577 /nfs/dbraw/zinc/29/45/77/188294577.db2.gz INTMIQIJZWOTEE-VIFPVBQESA-N 1 0 214.334 1.638 10 0 BDAERO C[NH2+][C@@H]1CCN(CCc2ccncc2)[C@H](C)C1 ZINC000049712967 188298847 /nfs/dbraw/zinc/29/88/47/188298847.db2.gz OETQPBMBGOHATQ-TZMCWYRMSA-N 1 0 233.359 1.696 10 0 BDAERO C[C@@H]1CC(=O)CCN1[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049714301 188299004 /nfs/dbraw/zinc/29/90/04/188299004.db2.gz YQWQDTXSDZLIJR-MRVWCRGKSA-N 1 0 236.359 1.667 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)OCc1ccccc1F ZINC000049820014 188299110 /nfs/dbraw/zinc/29/91/10/188299110.db2.gz ZWKQQNUHESDEGP-NSHDSACASA-N 1 0 225.263 1.852 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(CC[NH3+])cc1 ZINC000051600811 188299883 /nfs/dbraw/zinc/29/98/83/188299883.db2.gz RBOKSYQRCOMASH-SKDRFNHKSA-N 1 0 218.300 1.782 10 0 BDAERO C1CN([C@H]2CCCC[NH2+]C2)CCS1 ZINC000054134951 188300498 /nfs/dbraw/zinc/30/04/98/188300498.db2.gz QAMUMIOJNUBLPI-JTQLQIEISA-N 1 0 200.351 1.177 10 0 BDAERO Cc1ccc(CNCC2([NH3+])CCCC2)o1 ZINC000053040646 188300615 /nfs/dbraw/zinc/30/06/15/188300615.db2.gz PKIXZXPUJRSZFZ-UHFFFAOYSA-N 1 0 208.305 1.949 10 0 BDAERO CCCn1cnnc1[C@@H]([NH3+])Cc1ccccc1 ZINC000054497947 188300669 /nfs/dbraw/zinc/30/06/69/188300669.db2.gz CNPSXRXIPIWSFQ-LBPRGKRZSA-N 1 0 230.315 1.931 10 0 BDAERO Cc1c(Br)ccc(=O)n1[C@H](C)C[NH3+] ZINC000057834465 188301783 /nfs/dbraw/zinc/30/17/83/188301783.db2.gz HWELOCADRIPVRB-ZCFIWIBFSA-N 1 0 245.120 1.439 10 0 BDAERO CC(C)[C@@H]1CC[C@H](O)[C@H]([N@@H+]2CCCOCC2)C1 ZINC000061932854 188302665 /nfs/dbraw/zinc/30/26/65/188302665.db2.gz IQPNZPDADUBFLG-MCIONIFRSA-N 1 0 241.375 1.894 10 0 BDAERO CC(C)C[C@H](C[NH3+])N1CCn2ccnc2C1 ZINC000062249111 188302931 /nfs/dbraw/zinc/30/29/31/188302931.db2.gz WRJIMVBLYTUHPL-LLVKDONJSA-N 1 0 222.336 1.072 10 0 BDAERO CC(=O)N1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062608788 188303685 /nfs/dbraw/zinc/30/36/85/188303685.db2.gz DQMNISZTQWRFOU-ZDUSSCGKSA-N 1 0 218.300 1.049 10 0 BDAERO C[n+]1ccn(C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000062955287 188304192 /nfs/dbraw/zinc/30/41/92/188304192.db2.gz INDZCAZIBSWAEM-UHFFFAOYSA-N 1 0 248.350 1.937 10 0 BDAERO CN(C)[C@H]1CC[N@H+](CC2(CO)CCCCC2)C1 ZINC000062970864 188304342 /nfs/dbraw/zinc/30/43/42/188304342.db2.gz BMCOWZICTLERGV-ZDUSSCGKSA-N 1 0 240.391 1.565 10 0 BDAERO Cc1ccc(OCC(=O)NC2CC2)c(C[NH3+])c1 ZINC000071403424 188305719 /nfs/dbraw/zinc/30/57/19/188305719.db2.gz UTXVWVSALHFJIZ-UHFFFAOYSA-N 1 0 234.299 1.111 10 0 BDAERO Brc1ccc(CC2C[NH2+]C2)nc1 ZINC000129814797 353330962 /nfs/dbraw/zinc/33/09/62/353330962.db2.gz BPIJNIYYFRRWTB-UHFFFAOYSA-N 1 0 227.105 1.606 10 0 BDAERO CC1(C)[NH2+]C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000100905741 188323013 /nfs/dbraw/zinc/32/30/13/188323013.db2.gz YDNHAVCPDUSSTP-MNOVXSKESA-N 1 0 244.294 1.174 10 0 BDAERO CCC[C@H](CC)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000103474126 188323796 /nfs/dbraw/zinc/32/37/96/188323796.db2.gz LVQBZTJJXKKYEP-WDEREUQCSA-N 1 0 240.347 1.691 10 0 BDAERO CC(C)(C)COCCCN1CC[NH2+]CC1 ZINC000077306744 188310696 /nfs/dbraw/zinc/31/06/96/188310696.db2.gz BGFIOYZCYBPRMB-UHFFFAOYSA-N 1 0 214.353 1.344 10 0 BDAERO CN(c1ccc(Cl)nn1)[C@@H]1CCC[NH2+]C1 ZINC000082500021 188313070 /nfs/dbraw/zinc/31/30/70/188313070.db2.gz UIZZPKNDCPOHSM-MRVPVSSYSA-N 1 0 226.711 1.318 10 0 BDAERO CCc1ncc(C[NH3+])c(C(F)(F)F)n1 ZINC000082639686 188313581 /nfs/dbraw/zinc/31/35/81/188313581.db2.gz BFHGBIXKHPINBK-UHFFFAOYSA-N 1 0 205.183 1.517 10 0 BDAERO Nc1ccc(SC[C@H]2CCCC[NH2+]2)cn1 ZINC000043495569 188324942 /nfs/dbraw/zinc/32/49/42/188324942.db2.gz KXEISQBICHVVDI-SECBINFHSA-N 1 0 223.345 1.898 10 0 BDAERO Nc1ccc(SCC2CC[NH2+]CC2)cn1 ZINC000043498301 188325161 /nfs/dbraw/zinc/32/51/61/188325161.db2.gz UMWBZUOVPRULSY-UHFFFAOYSA-N 1 0 223.345 1.756 10 0 BDAERO CC(C)(C)[C@H](C[NH3+])Sc1ncccn1 ZINC000043297637 188325381 /nfs/dbraw/zinc/32/53/81/188325381.db2.gz DIQXVUFVKATRTD-QMMMGPOBSA-N 1 0 211.334 1.942 10 0 BDAERO CC(C)(CO)[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043477294 188325385 /nfs/dbraw/zinc/32/53/85/188325385.db2.gz HNRKHPFRUJNCLL-UHFFFAOYSA-N 1 0 229.707 1.906 10 0 BDAERO CCOC(=O)[C@@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049369694 188326960 /nfs/dbraw/zinc/32/69/60/188326960.db2.gz RVMFBGOVFLFLMC-IJLUTSLNSA-N 1 0 242.363 1.258 10 0 BDAERO O[C@H](c1ncc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000223194475 353339104 /nfs/dbraw/zinc/33/91/04/353339104.db2.gz GUFRCWZUIXTBGD-VDTYLAMSSA-N 1 0 218.709 1.582 10 0 BDAERO COc1ccc([C@@]2(C)C[C@H]2[NH3+])cc1OC ZINC000052126386 188332645 /nfs/dbraw/zinc/33/26/45/188332645.db2.gz ICKYTWQGPZGDGR-VXGBXAGGSA-N 1 0 207.273 1.693 10 0 BDAERO C1=[NH+]C[C@@H]([C@H]2[C@@H]3Cc4ccccc4C[C@@H]32)N1 ZINC000100972579 188334477 /nfs/dbraw/zinc/33/44/77/188334477.db2.gz ZTOZMRNKMZKZSI-RFQIPJPRSA-N 1 0 212.296 1.648 10 0 BDAERO CC(C)[C@@H]1C[C@H]([NH2+]CCn2cncn2)CS1 ZINC000336677567 188340839 /nfs/dbraw/zinc/34/08/39/188340839.db2.gz QDTAJPPUQGKAFF-QWRGUYRKSA-N 1 0 240.376 1.398 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCSC1 ZINC000336702149 188342712 /nfs/dbraw/zinc/34/27/12/188342712.db2.gz YQYUVLVCQIQPLD-NXEZZACHSA-N 1 0 217.378 1.736 10 0 BDAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(=O)OC(C)(C)C ZINC000252213325 363220521 /nfs/dbraw/zinc/22/05/21/363220521.db2.gz YPZSAGIQOYNULI-OPRDCNLKSA-N 1 0 226.320 1.604 10 0 BDAERO Cc1ccc(OCC[C@@H](O)C[NH3+])cc1C ZINC000019668556 188349680 /nfs/dbraw/zinc/34/96/80/188349680.db2.gz HVCYLNAJYYGWFP-LLVKDONJSA-N 1 0 209.289 1.392 10 0 BDAERO CC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111271522 188354074 /nfs/dbraw/zinc/35/40/74/188354074.db2.gz GZHHEVLJZHMVRI-NOZJJQNGSA-N 1 0 246.310 1.683 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H]1CCCOC1 ZINC000111319924 188354511 /nfs/dbraw/zinc/35/45/11/188354511.db2.gz OOCFORYOATYXKD-ZIAGYGMSSA-N 1 0 242.407 1.979 10 0 BDAERO CC(C)(C[NH3+])n1ccc(C(F)(F)F)n1 ZINC000082640283 188354918 /nfs/dbraw/zinc/35/49/18/188354918.db2.gz TYEUMCKUSGUZKS-UHFFFAOYSA-N 1 0 207.199 1.596 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCOC1 ZINC000066942682 188355126 /nfs/dbraw/zinc/35/51/26/188355126.db2.gz XOSKCSZOIQJTRI-NWDGAFQWSA-N 1 0 242.363 1.115 10 0 BDAERO CC(C)COC(=O)N1[C@@H](C)C[C@@H]2C[NH2+]C[C@H]21 ZINC000216241504 188355482 /nfs/dbraw/zinc/35/54/82/188355482.db2.gz RYIGOQFWMTVKTB-HBNTYKKESA-N 1 0 226.320 1.461 10 0 BDAERO CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H]1CCSC1 ZINC000405448349 353420055 /nfs/dbraw/zinc/42/00/55/353420055.db2.gz FYTAMQUTCDPNGN-YIZRAAEISA-N 1 0 200.351 1.207 10 0 BDAERO CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@H]1CCSC1 ZINC000405448338 353420119 /nfs/dbraw/zinc/42/01/19/353420119.db2.gz FYTAMQUTCDPNGN-DJLDLDEBSA-N 1 0 200.351 1.207 10 0 BDAERO CC[C@@H]1CN(c2cc(C)ncc2C#N)CC[C@H]1[NH3+] ZINC000398984929 353420857 /nfs/dbraw/zinc/42/08/57/353420857.db2.gz HPFXUYVBZSXGHM-DGCLKSJQSA-N 1 0 244.342 1.825 10 0 BDAERO C=Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cn1 ZINC000236570961 188367160 /nfs/dbraw/zinc/36/71/60/188367160.db2.gz BCYGFGLHMFYMSJ-RYUDHWBXSA-N 1 0 221.304 1.234 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000035055922 353434194 /nfs/dbraw/zinc/43/41/94/353434194.db2.gz XWJZWPDPJHHBQU-JOYOIKCWSA-N 1 0 244.294 1.410 10 0 BDAERO CC[C@H]1CN(c2ccncc2C#N)CC[C@@H]1[NH3+] ZINC000398997914 353496941 /nfs/dbraw/zinc/49/69/41/353496941.db2.gz QNQDJZYPICAQMX-JQWIXIFHSA-N 1 0 230.315 1.517 10 0 BDAERO [NH3+]C[C@H]1CCO[C@H]1c1ncc(Cl)s1 ZINC000223277729 353608196 /nfs/dbraw/zinc/60/81/96/353608196.db2.gz FAJOXXYUHCIYTK-IYSWYEEDSA-N 1 0 218.709 1.833 10 0 BDAERO [NH3+]C1([C@H]2CCSC2)CCC(O)CC1 ZINC000405497711 353611152 /nfs/dbraw/zinc/61/11/52/353611152.db2.gz QHCBPFGPVFRBGN-IDKOKCKLSA-N 1 0 201.335 1.372 10 0 BDAERO CC[N@H+](C(C)C)[C@H]1CC2(CC[C@H]1O)OCCO2 ZINC000252429986 363243332 /nfs/dbraw/zinc/24/33/32/363243332.db2.gz OJCPFZWEKZLKOG-NWDGAFQWSA-N 1 0 243.347 1.373 10 0 BDAERO [NH3+]C[C@]1([C@@H]2CCSC2)CCCCO1 ZINC000405511753 353723928 /nfs/dbraw/zinc/72/39/28/353723928.db2.gz TUDOQDLKGCPQRL-ZJUUUORDSA-N 1 0 201.335 1.638 10 0 BDAERO Fc1ccccc1Cc1noc([C@@H]2CC[NH2+]C2)n1 ZINC000062119710 181014648 /nfs/dbraw/zinc/01/46/48/181014648.db2.gz BVSFWZMVTXZGOH-SNVBAGLBSA-N 1 0 247.273 1.876 10 0 BDAERO Fc1ccccc1[C@H]1CN(C2CC2)CC[NH2+]1 ZINC000056894963 181015501 /nfs/dbraw/zinc/01/55/01/181015501.db2.gz RIBQZXKPGOLJEX-CYBMUJFWSA-N 1 0 220.291 1.934 10 0 BDAERO Fc1cnc(SC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095072050 181018001 /nfs/dbraw/zinc/01/80/01/181018001.db2.gz NGMFCZLPKYPWGI-VIFPVBQESA-N 1 0 227.308 1.850 10 0 BDAERO Fc1cnc(OCCC[C@H]2CCC[NH2+]C2)nc1 ZINC000095072043 181018207 /nfs/dbraw/zinc/01/82/07/181018207.db2.gz RTMRJUPBUDRCLT-SNVBAGLBSA-N 1 0 239.294 1.774 10 0 BDAERO CCNC1=[NH+]CCN(C(=O)OC(C)(C)C)C1 ZINC000233500888 353824213 /nfs/dbraw/zinc/82/42/13/353824213.db2.gz XBTRXWWAESSPAR-UHFFFAOYSA-N 1 0 227.308 1.245 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)C(C)C)C1 ZINC000086004458 491056071 /nfs/dbraw/zinc/05/60/71/491056071.db2.gz ABKOXYYDZVWPGY-NWDGAFQWSA-N 1 0 214.353 1.341 10 0 BDAERO CCCC[C@@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004638 491056087 /nfs/dbraw/zinc/05/60/87/491056087.db2.gz BQCQUEHLWOZBNE-CHWSQXEVSA-N 1 0 228.380 1.875 10 0 BDAERO Fc1cnc(SC[C@H]2CCC[NH2+]2)nc1 ZINC000095072053 181019910 /nfs/dbraw/zinc/01/99/10/181019910.db2.gz NSHCYYHQUZACGT-MRVPVSSYSA-N 1 0 213.281 1.460 10 0 BDAERO CN1C(=O)N(c2ccccc2)[C@H]2C[NH2+]CC[C@@H]21 ZINC000606303107 353858473 /nfs/dbraw/zinc/85/84/73/353858473.db2.gz IXHLBCXJUCPTHJ-RYUDHWBXSA-N 1 0 231.299 1.289 10 0 BDAERO CC[C@@H]1CS[C@@]2(CCOC[C@H]2C)[NH2+]1 ZINC000301022728 363334887 /nfs/dbraw/zinc/33/48/87/363334887.db2.gz NZIUHBTZNBGONM-OPRDCNLKSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)C(C)(C)C ZINC000628467588 358484483 /nfs/dbraw/zinc/48/44/83/358484483.db2.gz ZFEJZCPEKWGXFU-MXWKQRLJSA-N 1 0 215.337 1.408 10 0 BDAERO CC(C)[N@H+](C)[C@]1(CN)CCOC[C@H]1C ZINC000301044365 363372415 /nfs/dbraw/zinc/37/24/15/363372415.db2.gz XOTPTLXSRWKWAS-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO CCC1(C(=O)N2CCCC2)CC[NH2+]CC1 ZINC000014984818 363367614 /nfs/dbraw/zinc/36/76/14/363367614.db2.gz HZDMULPIYJUCBF-UHFFFAOYSA-N 1 0 210.321 1.389 10 0 BDAERO Cc1c(C[NH2+][C@@H]2CCC[C@@H](O)C2)cnn1C ZINC000086551958 491063051 /nfs/dbraw/zinc/06/30/51/491063051.db2.gz LMAUSCQWYWDNPT-VXGBXAGGSA-N 1 0 223.320 1.122 10 0 BDAERO c1ccc2c(c1)OC[C@H]2CN[C@@H]1CC[NH2+]C1 ZINC000335222518 355063426 /nfs/dbraw/zinc/06/34/26/355063426.db2.gz HACUTPUBSIVZHW-GHMZBOCLSA-N 1 0 218.300 1.114 10 0 BDAERO CC[NH+]1CCC(Nc2nccnc2C(C)C)CC1 ZINC000413030560 191352308 /nfs/dbraw/zinc/35/23/08/191352308.db2.gz HTBNMPHYEFKVKG-UHFFFAOYSA-N 1 0 248.374 1.918 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000235673829 363450201 /nfs/dbraw/zinc/45/02/01/363450201.db2.gz GONNEGQALWQZEK-WHOHXGKFSA-N 1 0 240.347 1.058 10 0 BDAERO C[C@@H]1C[C@H](N2CC[C@](C)([NH3+])C2)CS1 ZINC000405791926 355295599 /nfs/dbraw/zinc/29/55/99/355295599.db2.gz LIVXMBNHOHICAI-UTLUCORTSA-N 1 0 200.351 1.304 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cocn1 ZINC000191115361 355318959 /nfs/dbraw/zinc/31/89/59/355318959.db2.gz UTLMMTATKKIXMW-CHWSQXEVSA-N 1 0 235.331 1.733 10 0 BDAERO COCc1ccccc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000335617018 355323098 /nfs/dbraw/zinc/32/30/98/355323098.db2.gz LLFRWVSYJUAZRK-MFKMUULPSA-N 1 0 248.326 1.252 10 0 BDAERO C[C@H]([NH2+]CC[C@H](O)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414439557 191510107 /nfs/dbraw/zinc/51/01/07/191510107.db2.gz LHCKLPBYQDKQNI-XGEHTFHBSA-N 1 0 225.254 1.934 10 0 BDAERO NC(=[NH2+])Cc1ccc(OC[C@@H]2CCOC2)cc1 ZINC000049688786 181187995 /nfs/dbraw/zinc/18/79/95/181187995.db2.gz BCKPTBKLXMWNJW-LLVKDONJSA-N 1 0 234.299 1.580 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccns1 ZINC000639275818 355352732 /nfs/dbraw/zinc/35/27/32/355352732.db2.gz JKTIWBZLJIGQRD-DTWKUNHWSA-N 1 0 212.318 1.488 10 0 BDAERO NC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000119927843 181190712 /nfs/dbraw/zinc/19/07/12/181190712.db2.gz ASNSWNCYVBDDGT-XRGYYRRGSA-N 1 0 227.670 1.818 10 0 BDAERO NC(=[NH2+])Nc1c[nH]c2ncc(Cl)cc12 ZINC000028713371 181191335 /nfs/dbraw/zinc/19/13/35/181191335.db2.gz WLINPXRKVVJNCZ-UHFFFAOYSA-N 1 0 209.640 1.522 10 0 BDAERO CN1CCC[C@@]2(C1)[NH2+]C(C)(C)CS2 ZINC000134358046 355502914 /nfs/dbraw/zinc/50/29/14/355502914.db2.gz BWOLWHLSHROCIJ-SNVBAGLBSA-N 1 0 200.351 1.523 10 0 BDAERO NC(=[NH2+])c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000049690335 181195033 /nfs/dbraw/zinc/19/50/33/181195033.db2.gz PRUZOHFYNPOAMA-QMMMGPOBSA-N 1 0 238.262 1.525 10 0 BDAERO NC(=[NH2+])c1ccc(Sc2ncccn2)cc1 ZINC000019870333 181195567 /nfs/dbraw/zinc/19/55/67/181195567.db2.gz OWVPLAQKCUFENP-UHFFFAOYSA-N 1 0 230.296 1.912 10 0 BDAERO NC(=[NH2+])c1cccc(Cc2c[nH]cn2)c1 ZINC000026384485 181195834 /nfs/dbraw/zinc/19/58/34/181195834.db2.gz BJASTQMHYFCWIE-UHFFFAOYSA-N 1 0 200.245 1.285 10 0 BDAERO NC(=[NH2+])c1ccccc1OC[C@@H]1CCCO1 ZINC000019518524 181195926 /nfs/dbraw/zinc/19/59/26/181195926.db2.gz COZYAGOTBANSGN-VIFPVBQESA-N 1 0 220.272 1.528 10 0 BDAERO C[C@@H]1CC[N@H+](CC2(O)CCC2)CCS1 ZINC000335819495 355511184 /nfs/dbraw/zinc/51/11/84/355511184.db2.gz ABZRFLCIYKOCRE-SNVBAGLBSA-N 1 0 215.362 1.729 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000389117270 355693735 /nfs/dbraw/zinc/69/37/35/355693735.db2.gz BLRVBKSXYXYJDO-PWSUYJOCSA-N 1 0 236.363 1.473 10 0 BDAERO CC(C)C1(C[NH2+]C[C@@H]2CC(=O)N(C)C2)CC1 ZINC000639321972 355723152 /nfs/dbraw/zinc/72/31/52/355723152.db2.gz QEFZZKWALIZDLG-NSHDSACASA-N 1 0 224.348 1.491 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)sn1 ZINC000639322890 355714490 /nfs/dbraw/zinc/71/44/90/355714490.db2.gz YYBLMJMZXQSVSZ-VIFPVBQESA-N 1 0 239.344 1.019 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000416818895 191765800 /nfs/dbraw/zinc/76/58/00/191765800.db2.gz ZRSVUPQGOWCCAO-HBNTYKKESA-N 1 0 227.352 1.458 10 0 BDAERO CN1C[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1=O ZINC000639322245 355723855 /nfs/dbraw/zinc/72/38/55/355723855.db2.gz TZRVASPTULFHGP-XQHKEYJVSA-N 1 0 236.359 1.491 10 0 BDAERO C#C[C@@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000168456101 355834002 /nfs/dbraw/zinc/83/40/02/355834002.db2.gz LCJQGFYKNAUYMU-NOZJJQNGSA-N 1 0 201.269 1.991 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2nc(C)ccc2O)C1 ZINC000389195649 355837695 /nfs/dbraw/zinc/83/76/95/355837695.db2.gz XAXDBQRUOVBTGX-LLVKDONJSA-N 1 0 235.331 1.279 10 0 BDAERO CC(C)[C@H](C(=O)NC[C@@H](O)C(C)(C)C)[C@H](C)[NH3+] ZINC000399373913 355867629 /nfs/dbraw/zinc/86/76/29/355867629.db2.gz LLAPZIQHNMOLBM-AXFHLTTASA-N 1 0 244.379 1.129 10 0 BDAERO Cc1ccccc1C[NH2+]C1CCN(CCO)CC1 ZINC000399241563 355869161 /nfs/dbraw/zinc/86/91/61/355869161.db2.gz UKFIGYHMTNZOKS-UHFFFAOYSA-N 1 0 248.370 1.541 10 0 BDAERO CCc1cc(N[C@H]2CC[N@@H+](CC)C2)nc(C)n1 ZINC000389215372 355884175 /nfs/dbraw/zinc/88/41/75/355884175.db2.gz CRJCVDWDSRBPEK-LBPRGKRZSA-N 1 0 234.347 1.854 10 0 BDAERO NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025308603 181224553 /nfs/dbraw/zinc/22/45/53/181224553.db2.gz FVBLGAXYZIVZNP-LBPRGKRZSA-N 1 0 236.290 1.838 10 0 BDAERO CCCn1cc(C[NH2+][C@H]2CCN(CC)C2)cn1 ZINC000389285760 355948755 /nfs/dbraw/zinc/94/87/55/355948755.db2.gz VYFGCZMJUQTHJR-ZDUSSCGKSA-N 1 0 236.363 1.477 10 0 BDAERO NC(=O)CCC[NH2+]Cc1cccc2cccnc21 ZINC000037659246 181222300 /nfs/dbraw/zinc/22/23/00/181222300.db2.gz HGSSPHOZXKLGKZ-UHFFFAOYSA-N 1 0 243.310 1.590 10 0 BDAERO NC(=O)CCC[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000037757243 181222639 /nfs/dbraw/zinc/22/26/39/181222639.db2.gz WBLVMIDILBIQCB-UHFFFAOYSA-N 1 0 245.282 1.206 10 0 BDAERO NC(=O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000019515717 181236853 /nfs/dbraw/zinc/23/68/53/181236853.db2.gz FKGTWRBLUUSMLL-NSHDSACASA-N 1 0 204.273 1.139 10 0 BDAERO NC(=O)CCNC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000036747638 181225443 /nfs/dbraw/zinc/22/54/43/181225443.db2.gz NIAHJQBQKJKKDQ-SNVBAGLBSA-N 1 0 249.339 1.296 10 0 BDAERO C[C@H](CC[NH3+])Nc1ncnc2[nH]ccc21 ZINC000420230415 192180781 /nfs/dbraw/zinc/18/07/81/192180781.db2.gz XMRBVCUULYUOKL-SSDOTTSWSA-N 1 0 205.265 1.107 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncnc3[nH]ccc32)C1 ZINC000420269957 192196042 /nfs/dbraw/zinc/19/60/42/192196042.db2.gz JDMMGBYLEPVWLH-DTWKUNHWSA-N 1 0 231.303 1.497 10 0 BDAERO NC(=O)[C@@H]([NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000037942950 181264590 /nfs/dbraw/zinc/26/45/90/181264590.db2.gz WHRYSALWTBRSAJ-RYUDHWBXSA-N 1 0 240.347 1.189 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CC1)c1cccc(Cl)c1 ZINC000037870471 181264948 /nfs/dbraw/zinc/26/49/48/181264948.db2.gz RDWSNFVHFDHLJA-JTQLQIEISA-N 1 0 224.691 1.618 10 0 BDAERO CCCCN(C)C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000019477862 168763620 /nfs/dbraw/zinc/76/36/20/168763620.db2.gz ISAOZBAKVRUPII-WDEREUQCSA-N 1 0 212.337 1.633 10 0 BDAERO NC(=O)[C@@]1([NH3+])CCc2cccc(Cl)c2C1 ZINC000038435884 181275137 /nfs/dbraw/zinc/27/51/37/181275137.db2.gz LXWLBLVBZVLAJV-LLVKDONJSA-N 1 0 224.691 1.012 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000328530504 356459324 /nfs/dbraw/zinc/45/93/24/356459324.db2.gz XEQBOOSXCLDOMK-TUAOUCFPSA-N 1 0 212.337 1.095 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCCC23CC3)C[C@@H]1C[NH3+] ZINC000630092522 363516459 /nfs/dbraw/zinc/51/64/59/363516459.db2.gz KSBHFCGTYOQNOV-GRYCIOLGSA-N 1 0 236.359 1.620 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)C2CC2)[C@H](C)C1 ZINC000381293359 538467130 /nfs/dbraw/zinc/46/71/30/538467130.db2.gz FGYLJPJPDZYHQT-BREBYQMCSA-N 1 0 224.348 1.631 10 0 BDAERO CCCC(=O)NC[C@H]1[NH2+]CCOc2ccccc21 ZINC000675057487 538480198 /nfs/dbraw/zinc/48/01/98/538480198.db2.gz DAXTWUJKMLNAJP-GFCCVEGCSA-N 1 0 248.326 1.626 10 0 BDAERO C[C@H]1[NH2+]CC[C@H]1OC(=O)c1ccccc1 ZINC000675058780 538483768 /nfs/dbraw/zinc/48/37/68/538483768.db2.gz XNEPWALWHOJHLN-MWLCHTKSSA-N 1 0 205.257 1.594 10 0 BDAERO COc1ccccc1[C@H]1CO[C@@H](C[NH3+])C1 ZINC000675058354 538481591 /nfs/dbraw/zinc/48/15/91/538481591.db2.gz BFJNOEGVUIHKHO-NXEZZACHSA-N 1 0 207.273 1.526 10 0 BDAERO O=C(NC[C@H]1[NH2+]CCOc2ccccc21)C1CC1 ZINC000675058301 538481758 /nfs/dbraw/zinc/48/17/58/538481758.db2.gz ZHAKSSOCFFZHSC-GFCCVEGCSA-N 1 0 246.310 1.236 10 0 BDAERO Cn1cncc1[C@H]1[C@@H](CO)CCC[N@@H+]1C1CC1 ZINC000675058593 538481868 /nfs/dbraw/zinc/48/18/68/538481868.db2.gz NEXMBLHCCYTXQB-ZWNOBZJWSA-N 1 0 235.331 1.328 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccncc1 ZINC000675058796 538483412 /nfs/dbraw/zinc/48/34/12/538483412.db2.gz XZKKWURXJMRTPL-GXFFZTMASA-N 1 0 231.299 1.092 10 0 BDAERO CCC[C@]1(CNC(=O)C(C)(C)C)C[NH2+]CCO1 ZINC000675059323 538483458 /nfs/dbraw/zinc/48/34/58/538483458.db2.gz ODVCCPKFQKJOQI-CYBMUJFWSA-N 1 0 242.363 1.307 10 0 BDAERO CCCCNC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056375 538478360 /nfs/dbraw/zinc/47/83/60/538478360.db2.gz ORGDGFOSAPBCLI-DGCLKSJQSA-N 1 0 239.363 1.699 10 0 BDAERO C[C@H](C(=O)N1CCO[C@@](C)(C[NH3+])C1)C(C)(C)C ZINC000675060040 538485262 /nfs/dbraw/zinc/48/52/62/538485262.db2.gz ZRGXVEWOCLSHJH-MFKMUULPSA-N 1 0 242.363 1.245 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCO[C@@](CC)(C[NH3+])C1 ZINC000675059936 538485323 /nfs/dbraw/zinc/48/53/23/538485323.db2.gz YKGVRVNUTMLQSP-YPMHNXCESA-N 1 0 242.363 1.389 10 0 BDAERO CCC[C@@H](C)C(=O)NC[C@]1(CC)C[NH2+]CCO1 ZINC000675059667 538485455 /nfs/dbraw/zinc/48/54/55/538485455.db2.gz TWYHIRRZJNKGPM-YPMHNXCESA-N 1 0 242.363 1.307 10 0 BDAERO COCC[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000167646528 134153278 /nfs/dbraw/zinc/15/32/78/134153278.db2.gz HARINIAJHSADRE-VHSXEESVSA-N 1 0 203.326 1.408 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]2C[C@@H](NC(=O)CC3CC3)[C@H]2C1 ZINC000675068975 538497472 /nfs/dbraw/zinc/49/74/72/538497472.db2.gz FSAZUHGSQFEXGY-WISYIIOYSA-N 1 0 222.332 1.276 10 0 BDAERO COc1cccc2cc(C[NH3+])c(OC)nc21 ZINC000675069974 538498900 /nfs/dbraw/zinc/49/89/00/538498900.db2.gz NONBJIGFLFTCSM-UHFFFAOYSA-N 1 0 218.256 1.711 10 0 BDAERO C[C@H]1[NH2+]CCCn2cc(-c3cccnc3)nc21 ZINC000675069813 538499294 /nfs/dbraw/zinc/49/92/94/538499294.db2.gz YRNBYABLRBNYLK-SNVBAGLBSA-N 1 0 228.299 1.999 10 0 BDAERO CCCC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675071059 538501543 /nfs/dbraw/zinc/50/15/43/538501543.db2.gz WKQWVVDJXRLCRX-DBIOUOCHSA-N 1 0 210.321 1.276 10 0 BDAERO N[C@H]1C=C(C[C@@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076659 538511468 /nfs/dbraw/zinc/51/14/68/538511468.db2.gz FNOGBIFBDBWRQP-WPRPVWTQSA-N 1 0 216.275 1.669 10 0 BDAERO CCc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000675072407 538503381 /nfs/dbraw/zinc/50/33/81/538503381.db2.gz FQLAVQKXVHRMAY-SNVBAGLBSA-N 1 0 208.309 1.230 10 0 BDAERO c1nn2c(c1C1CC[NH2+]CC1)NCCC2 ZINC000675072709 538504331 /nfs/dbraw/zinc/50/43/31/538504331.db2.gz KHVQJBOGSVROHX-UHFFFAOYSA-N 1 0 206.293 1.166 10 0 BDAERO CC[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000166160711 491100507 /nfs/dbraw/zinc/10/05/07/491100507.db2.gz NATXNKLQOBHHLK-WDEREUQCSA-N 1 0 212.337 1.618 10 0 BDAERO O=C1NCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC000675074973 538507773 /nfs/dbraw/zinc/50/77/73/538507773.db2.gz DWAZWIOXADQBHE-LLVKDONJSA-N 1 0 210.321 1.292 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000675074968 538507994 /nfs/dbraw/zinc/50/79/94/538507994.db2.gz DVZLMNXSHDIIQC-DCAQKATOSA-N 1 0 227.352 1.458 10 0 BDAERO COc1ccc(C2=C[C@@H](O)C[NH2+]C2)cc1 ZINC000675076928 538511681 /nfs/dbraw/zinc/51/16/81/538511681.db2.gz HLWCDWISMFRIHV-LLVKDONJSA-N 1 0 205.257 1.043 10 0 BDAERO CCC[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675069295 538498406 /nfs/dbraw/zinc/49/84/06/538498406.db2.gz GOQCSRGSQNPYHL-FPYNETTCSA-N 1 0 238.375 1.912 10 0 BDAERO Cc1cc(C2=C[C@H](O)C[NH2+]C2)ccc1F ZINC000675077839 538513942 /nfs/dbraw/zinc/51/39/42/538513942.db2.gz RSUOYQKGHFTLMU-NSHDSACASA-N 1 0 207.248 1.482 10 0 BDAERO O[C@H]1C=C(CC[C@@H]2CCCCO2)C[NH2+]C1 ZINC000675077866 538514940 /nfs/dbraw/zinc/51/49/40/538514940.db2.gz SNAOARGDCYFSEE-RYUDHWBXSA-N 1 0 211.305 1.226 10 0 BDAERO COc1cccc(C2=C[C@H](N)C[NH2+]C2)c1 ZINC000675078344 538514948 /nfs/dbraw/zinc/51/49/48/538514948.db2.gz OUYPWDTUGWNTFT-NSHDSACASA-N 1 0 204.273 1.009 10 0 BDAERO N[C@@H]1C=C(CCc2ccccc2)C[NH2+]C1 ZINC000675078179 538515282 /nfs/dbraw/zinc/51/52/82/538515282.db2.gz NABRMJPPRVYESH-CYBMUJFWSA-N 1 0 202.301 1.476 10 0 BDAERO N[C@H]1C=C(c2ccc(F)c(Cl)c2)C[NH2+]C1 ZINC000675079086 538517415 /nfs/dbraw/zinc/51/74/15/538517415.db2.gz VSRMRWCNXZDPIV-VIFPVBQESA-N 1 0 226.682 1.793 10 0 BDAERO Cc1cc(C2=C[C@H](N)C[NH2+]C2)ccc1F ZINC000675079286 538517736 /nfs/dbraw/zinc/51/77/36/538517736.db2.gz XLWIGDOWNVNISG-NSHDSACASA-N 1 0 206.264 1.448 10 0 BDAERO CCC1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675079500 538518889 /nfs/dbraw/zinc/51/88/89/538518889.db2.gz ZOQYDPIZXRVKFK-SNVBAGLBSA-N 1 0 226.320 1.901 10 0 BDAERO CC1(C)CC2(CC(C)(C)[NH2+]1)OCC[C@H]2O ZINC000675080879 538519976 /nfs/dbraw/zinc/51/99/76/538519976.db2.gz XHJAQWQDTXXMDU-SECBINFHSA-N 1 0 213.321 1.447 10 0 BDAERO F[C@@H]1C[NH2+][C@H](c2ccc3c(c2)OCCO3)C1 ZINC000675082226 538523316 /nfs/dbraw/zinc/52/33/16/538523316.db2.gz FUHUUQVUPORYAW-UWVGGRQHSA-N 1 0 223.247 1.830 10 0 BDAERO O=Cc1ccc(-c2cnn3c2C[NH2+]CC3)o1 ZINC000675080986 538521155 /nfs/dbraw/zinc/52/11/55/538521155.db2.gz YTLBNLXHMUPHFA-UHFFFAOYSA-N 1 0 217.228 1.059 10 0 BDAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1nnc[nH]1 ZINC000083746579 538521733 /nfs/dbraw/zinc/52/17/33/538521733.db2.gz DPQAIBKSNKKGAZ-SNVBAGLBSA-N 1 0 220.251 1.447 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ncc(F)cc1F ZINC000160388243 356697600 /nfs/dbraw/zinc/69/76/00/356697600.db2.gz WQMHTDHXODFGOW-LURJTMIESA-N 1 0 201.220 1.143 10 0 BDAERO CCCn1nccc1[C@H](O)C[NH2+]C(C)C ZINC000084993424 538536228 /nfs/dbraw/zinc/53/62/28/538536228.db2.gz WTOSUGSBNFKQJE-LLVKDONJSA-N 1 0 211.309 1.325 10 0 BDAERO CC(C)([NH3+])CNc1ncc(F)cc1F ZINC000160381257 356698609 /nfs/dbraw/zinc/69/86/09/356698609.db2.gz PGXQWASMWCYYDT-UHFFFAOYSA-N 1 0 201.220 1.509 10 0 BDAERO CC(C)(C)c1nnc(C2=CC[NH2+]CC2)o1 ZINC000675082677 538523788 /nfs/dbraw/zinc/52/37/88/538523788.db2.gz VXQMIEFDOMLIAT-UHFFFAOYSA-N 1 0 207.277 1.744 10 0 BDAERO CC(C)=C(F)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248653452 535341076 /nfs/dbraw/zinc/34/10/76/535341076.db2.gz VPBBMJDFDWBNPP-GUBZILKMSA-N 1 0 226.295 1.446 10 0 BDAERO CC(C)(C)OC(=O)[C@H](C[NH3+])C1CCOCC1 ZINC000313209977 538577443 /nfs/dbraw/zinc/57/74/43/538577443.db2.gz MXGVEVVBSGUZSO-SNVBAGLBSA-N 1 0 229.320 1.330 10 0 BDAERO CC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000096871898 538616835 /nfs/dbraw/zinc/61/68/35/538616835.db2.gz WVNLXMWFNGHKPU-OLZOCXBDSA-N 1 0 218.300 1.350 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)[C@@H]1CCOC1 ZINC000389515647 356889356 /nfs/dbraw/zinc/88/93/56/356889356.db2.gz FYEGWIZDWLBBLA-UPJWGTAASA-N 1 0 226.364 1.485 10 0 BDAERO C[C@]1(CO)C[C@@H](O)C[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000639847870 356845278 /nfs/dbraw/zinc/84/52/78/356845278.db2.gz CYILSHNUPVVYLH-UMVBOHGHSA-N 1 0 247.338 1.144 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000389517752 356901649 /nfs/dbraw/zinc/90/16/49/356901649.db2.gz GIKZFHYHQPTRSN-RVMXOQNASA-N 1 0 238.375 1.484 10 0 BDAERO CCc1ncnc(N[C@H]2C[NH2+]CC[C@@H]2C)c1F ZINC000389737434 357022794 /nfs/dbraw/zinc/02/27/94/357022794.db2.gz VXKFADXXQJDQNM-WPRPVWTQSA-N 1 0 238.310 1.588 10 0 BDAERO CCc1ncnc(N[C@@H]2C[NH2+]CC[C@@H]2C)c1F ZINC000389737433 357022832 /nfs/dbraw/zinc/02/28/32/357022832.db2.gz VXKFADXXQJDQNM-WCBMZHEXSA-N 1 0 238.310 1.588 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000300426780 357041634 /nfs/dbraw/zinc/04/16/34/357041634.db2.gz LYJKNQLYKCZZIG-YNEHKIRRSA-N 1 0 245.363 1.321 10 0 BDAERO Cc1c(C[NH2+]CC2(C)CCOCC2)cnn1C ZINC000163145102 202213133 /nfs/dbraw/zinc/21/31/33/202213133.db2.gz YHBPXDZZLFQZTM-UHFFFAOYSA-N 1 0 237.347 1.635 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncnc2c1CCC2 ZINC000389706128 357016624 /nfs/dbraw/zinc/01/66/24/357016624.db2.gz NZSOWSPQLQAPPG-SKDRFNHKSA-N 1 0 232.331 1.375 10 0 BDAERO CCc1nc(C)cc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389719875 357019443 /nfs/dbraw/zinc/01/94/43/357019443.db2.gz DSOZMBBECTXUQE-MWLCHTKSSA-N 1 0 234.347 1.179 10 0 BDAERO C[C@@H](CN[C@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000389925277 357068497 /nfs/dbraw/zinc/06/84/97/357068497.db2.gz VQJLQXDJIMSPJY-ZFWWWQNUSA-N 1 0 248.370 1.791 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)c(F)c1 ZINC000631183281 357240621 /nfs/dbraw/zinc/24/06/21/357240621.db2.gz MMLFEZZVLFLWBN-QWHCGFSZSA-N 1 0 239.290 1.374 10 0 BDAERO Cc1ccncc1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000168749401 357211073 /nfs/dbraw/zinc/21/10/73/357211073.db2.gz IEHBFTVUWVUDKU-JTQLQIEISA-N 1 0 204.273 1.715 10 0 BDAERO CC(C)[NH2+]CCN1CCOC2(CCC2)C1 ZINC000193482629 357175393 /nfs/dbraw/zinc/17/53/93/357175393.db2.gz REARKQWRZPAAAF-UHFFFAOYSA-N 1 0 212.337 1.239 10 0 BDAERO C[C@H]1SCCN(C2(C[NH3+])CC2)[C@H]1C ZINC000300062602 357182635 /nfs/dbraw/zinc/18/26/35/357182635.db2.gz NGRUAXCRKSMJOL-DTWKUNHWSA-N 1 0 200.351 1.304 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000393813736 357301260 /nfs/dbraw/zinc/30/12/60/357301260.db2.gz RKXFXERRVPEWFA-VXGBXAGGSA-N 1 0 229.364 1.942 10 0 BDAERO [NH3+][C@@H]1c2cccc(Br)c2C[C@@H]1O ZINC000039941442 491110684 /nfs/dbraw/zinc/11/06/84/491110684.db2.gz RCLPAAUFGDPXOZ-DTWKUNHWSA-N 1 0 228.089 1.366 10 0 BDAERO CCC(CC)C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404038665 357382639 /nfs/dbraw/zinc/38/26/39/357382639.db2.gz ZNKXUGSRJQFQRS-VXGBXAGGSA-N 1 0 240.347 1.012 10 0 BDAERO c1ccc2nc(CN[C@H]3CC[NH2+]C3)ccc2c1 ZINC000223567816 357402475 /nfs/dbraw/zinc/40/24/75/357402475.db2.gz WZWQVXAJKAVBPF-LBPRGKRZSA-N 1 0 227.311 1.686 10 0 BDAERO CCC1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188349878 357528108 /nfs/dbraw/zinc/52/81/08/357528108.db2.gz XHLJPNZHKISWGP-POSLAHMBSA-N 1 0 242.338 1.771 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)Nc1ccccc1F ZINC000063170787 357551602 /nfs/dbraw/zinc/55/16/02/357551602.db2.gz XYDYNGZUNTVQOX-MRVPVSSYSA-N 1 0 225.267 1.685 10 0 BDAERO CC1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CCCC1 ZINC000188539722 357559544 /nfs/dbraw/zinc/55/95/44/357559544.db2.gz YMSBCGOLEGUPEJ-VHSXEESVSA-N 1 0 228.311 1.383 10 0 BDAERO Cc1oncc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000188911295 357589453 /nfs/dbraw/zinc/58/94/53/357589453.db2.gz CMCCEFWPDRVHPI-UHFFFAOYSA-N 1 0 235.331 1.653 10 0 BDAERO Cc1cnccc1CC[NH2+]C[C@H](O)C(C)(C)C ZINC000397547178 357590407 /nfs/dbraw/zinc/59/04/07/357590407.db2.gz VMHAYDCMPRXXQX-ZDUSSCGKSA-N 1 0 236.359 1.929 10 0 BDAERO CCC(C)(CC)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000158955275 538871468 /nfs/dbraw/zinc/87/14/68/538871468.db2.gz BZSHEECQPWXPKF-LLVKDONJSA-N 1 0 226.364 1.975 10 0 BDAERO Cc1cc(F)cc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000188963299 357605310 /nfs/dbraw/zinc/60/53/10/357605310.db2.gz WCLNCFUPFBCERO-GXSJLCMTSA-N 1 0 240.253 1.773 10 0 BDAERO Cn1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000231328254 357612680 /nfs/dbraw/zinc/61/26/80/357612680.db2.gz OZDQJRXBZHXJKN-LBPRGKRZSA-N 1 0 247.342 1.031 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC000189431290 357641925 /nfs/dbraw/zinc/64/19/25/357641925.db2.gz ICTJFKGTIJPFBV-ZDUSSCGKSA-N 1 0 249.358 1.664 10 0 BDAERO CC(C)[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946583 538885795 /nfs/dbraw/zinc/88/57/95/538885795.db2.gz TWMXFFFOQHTRAN-IVZWLZJFSA-N 1 0 216.300 1.095 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000685945801 538887003 /nfs/dbraw/zinc/88/70/03/538887003.db2.gz BFDIPAVCMBFFLE-QWHCGFSZSA-N 1 0 220.316 1.490 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000685945940 538887521 /nfs/dbraw/zinc/88/75/21/538887521.db2.gz HEHHXEAMXBKUSZ-RYUDHWBXSA-N 1 0 208.280 1.620 10 0 BDAERO COc1cccc([C@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685945969 538887657 /nfs/dbraw/zinc/88/76/57/538887657.db2.gz HVILWHJVLVCLTQ-NEPJUHHUSA-N 1 0 206.289 1.099 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946968 538888681 /nfs/dbraw/zinc/88/86/81/538888681.db2.gz XYSMIDLGZOPDJK-GUBZILKMSA-N 1 0 231.315 1.030 10 0 BDAERO CC[C@@]1(NC(=O)CC2CC2)CCC[NH2+]C1 ZINC000685947061 538888697 /nfs/dbraw/zinc/88/86/97/538888697.db2.gz IHCPMBXBGRJFMA-GFCCVEGCSA-N 1 0 210.321 1.435 10 0 BDAERO O=C(N[C@@H]1CCCC12CC[NH2+]CC2)C1CC1 ZINC000685947041 538888811 /nfs/dbraw/zinc/88/88/11/538888811.db2.gz QNFSKTNSRXSLAZ-LLVKDONJSA-N 1 0 222.332 1.435 10 0 BDAERO CC(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000685948028 538889582 /nfs/dbraw/zinc/88/95/82/538889582.db2.gz XAWNZKNVZISJBZ-YOGCLGLASA-N 1 0 245.388 1.730 10 0 BDAERO CCCCNC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685948052 538889634 /nfs/dbraw/zinc/88/96/34/538889634.db2.gz VNIGXPOGTVDNOH-UHFFFAOYSA-N 1 0 225.336 1.182 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CCC[C@]1(C)C[NH3+] ZINC000685947667 538889841 /nfs/dbraw/zinc/88/98/41/538889841.db2.gz NHHODUCZEPTUHF-ZYHUDNBSSA-N 1 0 212.337 1.618 10 0 BDAERO CCCCNC(=O)N1CCC[C@]1(C)C[NH3+] ZINC000685948152 538890161 /nfs/dbraw/zinc/89/01/61/538890161.db2.gz ZKBUHTRNHYCSIY-LLVKDONJSA-N 1 0 213.325 1.309 10 0 BDAERO CC(C)(C)OC(=O)c1conc1C(C)(C)[NH3+] ZINC000685948303 538890323 /nfs/dbraw/zinc/89/03/23/538890323.db2.gz GWWWIDZYDGQWHO-UHFFFAOYSA-N 1 0 226.276 1.824 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685948176 538890548 /nfs/dbraw/zinc/89/05/48/538890548.db2.gz ZKHZSIQXLCMZAM-NSHDSACASA-N 1 0 224.348 1.491 10 0 BDAERO C[C@@H]1CCC[N@@H+]([C@@H]2CCNC[C@@H]2F)C1 ZINC000685948407 538890932 /nfs/dbraw/zinc/89/09/32/538890932.db2.gz MPFYRNVGFNRMJT-OUAUKWLOSA-N 1 0 200.301 1.418 10 0 BDAERO CC(C)[NH+](C(C)C)[C@@H]1CCNC[C@@H]1F ZINC000685948682 538891029 /nfs/dbraw/zinc/89/10/29/538891029.db2.gz TVDTXPOWZOBRGI-WDEREUQCSA-N 1 0 202.317 1.805 10 0 BDAERO CC1(C(=O)N[C@@]23CC[NH2+][C@H]2CCCC3)CC1 ZINC000685948523 538891387 /nfs/dbraw/zinc/89/13/87/538891387.db2.gz AQGUXEPSVCMBGZ-GWCFXTLKSA-N 1 0 222.332 1.577 10 0 BDAERO CC(C)(C)C(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000685948857 538891657 /nfs/dbraw/zinc/89/16/57/538891657.db2.gz HJWAKQMEEHHGDM-GWCFXTLKSA-N 1 0 224.348 1.823 10 0 BDAERO CCCC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685948793 538891847 /nfs/dbraw/zinc/89/18/47/538891847.db2.gz FVNONKHEUBIPLI-ZYHUDNBSSA-N 1 0 210.321 1.659 10 0 BDAERO C[C@H]1C[NH2+]CCN1[C@H]1CCOC12CCCC2 ZINC000685949069 538891925 /nfs/dbraw/zinc/89/19/25/538891925.db2.gz JWHHMWSZGUMWDS-RYUDHWBXSA-N 1 0 224.348 1.382 10 0 BDAERO [NH3+]C[C@H]1Cc2ccccc2O[C@H]1C(F)F ZINC000685949135 538892513 /nfs/dbraw/zinc/89/25/13/538892513.db2.gz KPMQMJIHRXFKHI-PSASIEDQSA-N 1 0 213.227 1.830 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](C)C1N1CCCC(F)(F)C1 ZINC000685951011 538894373 /nfs/dbraw/zinc/89/43/73/538894373.db2.gz MADUCVLRYSYSJB-UWVGGRQHSA-N 1 0 232.318 1.962 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCCC(F)(F)C1 ZINC000685951010 538894824 /nfs/dbraw/zinc/89/48/24/538894824.db2.gz MADUCVLRYSYSJB-URLYPYJESA-N 1 0 232.318 1.962 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCCO[C@H](C)C1 ZINC000685951794 538895241 /nfs/dbraw/zinc/89/52/41/538895241.db2.gz YPAMEBWHTJDONY-XQHKEYJVSA-N 1 0 226.364 1.341 10 0 BDAERO CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1S(=O)(=O)CC ZINC000685952955 538895601 /nfs/dbraw/zinc/89/56/01/538895601.db2.gz DIWXCQYOADZMQH-AXFHLTTASA-N 1 0 233.377 1.588 10 0 BDAERO CCC(=O)CCN1CCC([NH+]2CCCC2)CC1 ZINC000190190615 357690607 /nfs/dbraw/zinc/69/06/07/357690607.db2.gz XGEUAWWDGBMXML-UHFFFAOYSA-N 1 0 238.375 1.916 10 0 BDAERO CC[NH+](CC)CCNC(=O)[C@H]1CCCO[C@H]1C ZINC000190209503 357692907 /nfs/dbraw/zinc/69/29/07/357692907.db2.gz SGMOFOGINUUNFC-RYUDHWBXSA-N 1 0 242.363 1.260 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1nccn1C ZINC000085969807 357707096 /nfs/dbraw/zinc/70/70/96/357707096.db2.gz FLTSPSSGIZOITD-SRVKXCTJSA-N 1 0 237.347 1.622 10 0 BDAERO COCCN(C)c1ccc(C[NH2+][C@@H]2C[C@H]2C)cn1 ZINC000190952056 357734854 /nfs/dbraw/zinc/73/48/54/357734854.db2.gz ZICJMEKLUQIQBQ-DGCLKSJQSA-N 1 0 249.358 1.662 10 0 BDAERO CCOC(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)OCC ZINC000233706530 357736789 /nfs/dbraw/zinc/73/67/89/357736789.db2.gz JPCMKAJXFLBFFZ-DGCLKSJQSA-N 1 0 243.347 1.543 10 0 BDAERO CC[C@@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000191183670 357740061 /nfs/dbraw/zinc/74/00/61/357740061.db2.gz WRESENDQIGUTHD-GHMZBOCLSA-N 1 0 212.337 1.585 10 0 BDAERO c1ncn(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)n1 ZINC000191069920 357746532 /nfs/dbraw/zinc/74/65/32/357746532.db2.gz MAXUDWPSKQWVBL-ZDUSSCGKSA-N 1 0 248.330 1.608 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncccn1 ZINC000192053249 357815446 /nfs/dbraw/zinc/81/54/46/357815446.db2.gz XRFUYKFJHXEUFG-LBPRGKRZSA-N 1 0 234.347 1.393 10 0 BDAERO Cc1c[nH+]ccc1N1CCC[C@@H](n2cncn2)C1 ZINC000192573284 357844588 /nfs/dbraw/zinc/84/45/88/357844588.db2.gz YNSCRFNUMNJLSG-GFCCVEGCSA-N 1 0 243.314 1.823 10 0 BDAERO Cc1cccc(CCC(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000235656381 357927001 /nfs/dbraw/zinc/92/70/01/357927001.db2.gz FTWYEESLSPBCGI-GXTWGEPZSA-N 1 0 246.354 1.733 10 0 BDAERO Cc1nccn1CC[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938959 357945933 /nfs/dbraw/zinc/94/59/33/357945933.db2.gz SGDGUDVODOSPIE-ZYHUDNBSSA-N 1 0 223.320 1.037 10 0 BDAERO CC(C)OCCC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639940877 357957017 /nfs/dbraw/zinc/95/70/17/357957017.db2.gz FDNWNDBEWHHTCO-VXGBXAGGSA-N 1 0 215.337 1.647 10 0 BDAERO COc1cccnc1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000160300369 357972376 /nfs/dbraw/zinc/97/23/76/357972376.db2.gz CJZKVVQLDQRXLX-NXEZZACHSA-N 1 0 221.304 1.264 10 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C[NH2+][C@H](C)C(=O)NCCCc1ccccc1 ZINC000038524455 358155623 /nfs/dbraw/zinc/15/56/23/358155623.db2.gz LSRCISVAEHNSRX-LLVKDONJSA-N 1 0 220.316 1.343 10 0 BDAERO CC[C@@]1(O)CCC[N@H+](C[C@@H]2CCCN2C)C1 ZINC000640036755 358136592 /nfs/dbraw/zinc/13/65/92/358136592.db2.gz WXRIBIIQTXOVEK-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO COC(=O)[C@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000038917630 358212202 /nfs/dbraw/zinc/21/22/02/358212202.db2.gz OSUYNNPJJNNFBX-RYUDHWBXSA-N 1 0 219.284 1.900 10 0 BDAERO CCc1noc(CN2CCC[C@H]2CCCO)n1 ZINC000052762802 358229818 /nfs/dbraw/zinc/22/98/18/358229818.db2.gz ZNDFBRDXPFFABF-JTQLQIEISA-N 1 0 239.319 1.369 10 0 BDAERO CCCCN(CC)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040630417 358244401 /nfs/dbraw/zinc/24/44/01/358244401.db2.gz UMYSHISWNLXFLS-GHMZBOCLSA-N 1 0 228.336 1.012 10 0 BDAERO CCc1cccc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)c1 ZINC000040630731 358244447 /nfs/dbraw/zinc/24/44/47/358244447.db2.gz CBGUVWDIYGEDCS-CHWSQXEVSA-N 1 0 248.326 1.564 10 0 BDAERO 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CSCC[C@H]1C[NH2+][C@@H](CC(C)C)C(=O)N1 ZINC000584608924 358269790 /nfs/dbraw/zinc/26/97/90/358269790.db2.gz DAIDTKKCOXSVKR-UWVGGRQHSA-N 1 0 230.377 1.242 10 0 BDAERO C[C@@]1(CO)CC[C@H](CO)[N@@H+]1Cc1ccccc1 ZINC000584623846 358292082 /nfs/dbraw/zinc/29/20/82/358292082.db2.gz UXAYHLAZJUKETH-KGLIPLIRSA-N 1 0 235.327 1.394 10 0 BDAERO COc1cccc2c1C[C@@H]1[NH2+]C[C@H](C)O[C@H]1C2 ZINC000584625379 358294319 /nfs/dbraw/zinc/29/43/19/358294319.db2.gz BUQXJRALBZGOIJ-WFBYXXMGSA-N 1 0 233.311 1.539 10 0 BDAERO C[N@@H+]1[C@@H]2C[C@@H]2C[C@H]1COc1cccnc1 ZINC000584625988 358295291 /nfs/dbraw/zinc/29/52/91/358295291.db2.gz ZHQDDVCHGDJTCT-JBLDHEPKSA-N 1 0 204.273 1.553 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](F)C[C@@H]1[NH3+] ZINC000584647444 358301475 /nfs/dbraw/zinc/30/14/75/358301475.db2.gz ILIYPVBAEAZKOC-XHNCKOQMSA-N 1 0 232.299 1.729 10 0 BDAERO O=C(N[C@H]1CC=CCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172480560 134267824 /nfs/dbraw/zinc/26/78/24/134267824.db2.gz GNSLXSGYROZZQU-STQMWFEESA-N 1 0 249.358 1.585 10 0 BDAERO C[NH+](C)CCCOc1cc2n[nH]cc2cc1N ZINC000584617723 358283645 /nfs/dbraw/zinc/28/36/45/358283645.db2.gz ICWBKRCRRDQVNY-UHFFFAOYSA-N 1 0 234.303 1.476 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1[C@H]([NH3+])CCC[C@@H]1F ZINC000584647261 358331972 /nfs/dbraw/zinc/33/19/72/358331972.db2.gz JTZLQPKVXKRTCI-YIZRAAEISA-N 1 0 232.299 1.729 10 0 BDAERO CN1CCC(O)(O)C[C@H]1c1nc2ccccc2[nH]1 ZINC000584641203 358327272 /nfs/dbraw/zinc/32/72/72/358327272.db2.gz QITOPSYAKGWEKR-NSHDSACASA-N 1 0 247.298 1.011 10 0 BDAERO C[C@H](C[C@H](C)O)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226235622 358336417 /nfs/dbraw/zinc/33/64/17/358336417.db2.gz KELBEVOHBODBLF-LMLFDSFASA-N 1 0 201.310 1.039 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N(CC1CC1)C(C)C ZINC000042591710 358353209 /nfs/dbraw/zinc/35/32/09/358353209.db2.gz UQEXEUGDBPXZKT-LLVKDONJSA-N 1 0 212.337 1.761 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226193688 358334465 /nfs/dbraw/zinc/33/44/65/358334465.db2.gz AGMKTRYGIJAXGK-LMLFDSFASA-N 1 0 212.337 1.535 10 0 BDAERO COc1cc(OC)nc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000228267337 358372104 /nfs/dbraw/zinc/37/21/04/358372104.db2.gz HKWFERPVLMHADP-HTQZYQBOSA-N 1 0 240.307 1.032 10 0 BDAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc2nccnc2n1 ZINC000228267260 358372342 /nfs/dbraw/zinc/37/23/42/358372342.db2.gz XBYZBZNJMMHYJO-RKDXNWHRSA-N 1 0 231.303 1.563 10 0 BDAERO OCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000227471051 358358465 /nfs/dbraw/zinc/35/84/65/358358465.db2.gz FMAMRQBLTYNLLN-ZIAGYGMSSA-N 1 0 235.327 1.572 10 0 BDAERO [NH3+]C[C@@H]1c2ccccc2CCN1c1cnccn1 ZINC000227725324 358361839 /nfs/dbraw/zinc/36/18/39/358361839.db2.gz CQXDQPZAQVPVMV-CYBMUJFWSA-N 1 0 240.310 1.539 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCCSC1 ZINC000227897055 358365967 /nfs/dbraw/zinc/36/59/67/358365967.db2.gz PZLBENZBOCVBMA-NEPJUHHUSA-N 1 0 247.404 1.649 10 0 BDAERO CC1(C)[C@@H](O)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000229585445 358404607 /nfs/dbraw/zinc/40/46/07/358404607.db2.gz ZHMXKEVXPRBKLI-ZNSHCXBVSA-N 1 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226.364 1.485 10 0 BDAERO [NH3+][C@H]1CC[C@H](CN2CCC(F)(F)C2)C1 ZINC000306220339 359340118 /nfs/dbraw/zinc/34/01/18/359340118.db2.gz HTUKXLQEYOWJFK-IUCAKERBSA-N 1 0 204.264 1.455 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000623764192 359342530 /nfs/dbraw/zinc/34/25/30/359342530.db2.gz ABOQLFNUUBZSDB-RYUDHWBXSA-N 1 0 241.718 1.579 10 0 BDAERO CN1C(=[NH2+])NC[C@@H]1c1ccsc1Cl ZINC000306220759 359345429 /nfs/dbraw/zinc/34/54/29/359345429.db2.gz IKIQBRXVHHUBKY-ZCFIWIBFSA-N 1 0 215.709 1.703 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)N1CC(F)(F)C(F)(F)C1 ZINC000306239865 359409470 /nfs/dbraw/zinc/40/94/70/359409470.db2.gz QNMWJKFEOTYUMP-PHDIDXHHSA-N 1 0 214.206 1.308 10 0 BDAERO [NH3+]CCc1cccc(NC(=O)C(F)(F)F)c1 ZINC000306243286 359427068 /nfs/dbraw/zinc/42/70/68/359427068.db2.gz NZMYWAHOWYGIOU-UHFFFAOYSA-N 1 0 232.205 1.689 10 0 BDAERO [NH3+]Cc1cncnc1SC1CCCC1 ZINC000306249394 359448275 /nfs/dbraw/zinc/44/82/75/359448275.db2.gz WERJXJINKYGZBX-UHFFFAOYSA-N 1 0 209.318 1.970 10 0 BDAERO Cc1csc(N2CC[NH2+]C(C)(C)C2)n1 ZINC000133199167 359454470 /nfs/dbraw/zinc/45/44/70/359454470.db2.gz JDQOXJGQDZLRGY-UHFFFAOYSA-N 1 0 211.334 1.640 10 0 BDAERO O[C@H](c1ccsc1Cl)[C@H]1C=CC[NH2+]1 ZINC000306300128 359541599 /nfs/dbraw/zinc/54/15/99/359541599.db2.gz LFINQMRYYBHONJ-HTQZYQBOSA-N 1 0 215.705 1.963 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@H]1CC=C(Cl)Cl ZINC000403570587 359527549 /nfs/dbraw/zinc/52/75/49/359527549.db2.gz XHYWFZZNSPRRGP-RNFRBKRXSA-N 1 0 210.104 1.666 10 0 BDAERO CC[C@](C)(C(C)=O)[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000306303245 359579064 /nfs/dbraw/zinc/57/90/64/359579064.db2.gz HJDQLKSHEKJZSQ-ZMLRMANQSA-N 1 0 213.321 1.447 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1O ZINC000306321133 359606619 /nfs/dbraw/zinc/60/66/19/359606619.db2.gz KVBSNCGIRAPDKH-IMSYWVGJSA-N 1 0 201.335 1.241 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1F ZINC000623764804 359631530 /nfs/dbraw/zinc/63/15/30/359631530.db2.gz KCZVFAAQYAZNPA-QWHCGFSZSA-N 1 0 239.290 1.374 10 0 BDAERO CC[C@H](C)[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000306332043 359633440 /nfs/dbraw/zinc/63/34/40/359633440.db2.gz DGPFMVHQZGTJGQ-CWSCBRNRSA-N 1 0 203.351 1.628 10 0 BDAERO C[C@]1([C@H]2OCCC[C@@H]2[NH3+])CCCS1 ZINC000306338605 359637927 /nfs/dbraw/zinc/63/79/27/359637927.db2.gz IYKJIGHJKZNQPV-LPEHRKFASA-N 1 0 201.335 1.778 10 0 BDAERO C[C@]1([C@@H]2OCCC[C@@H]2[NH3+])CCCS1 ZINC000306338603 359638305 /nfs/dbraw/zinc/63/83/05/359638305.db2.gz IYKJIGHJKZNQPV-IVZWLZJFSA-N 1 0 201.335 1.778 10 0 BDAERO Cc1cccc(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000623765431 359662631 /nfs/dbraw/zinc/66/26/31/359662631.db2.gz SYCCTYPELOAXMF-QWHCGFSZSA-N 1 0 221.300 1.234 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1C[C@H](C)OC[C@@H]1C ZINC000306402120 359784469 /nfs/dbraw/zinc/78/44/69/359784469.db2.gz DHVNHEYXIXLLNA-DCAQKATOSA-N 1 0 200.326 1.079 10 0 BDAERO Cn1ncc(Br)c1C[C@H]1CCC[NH2+]1 ZINC000306399400 359766311 /nfs/dbraw/zinc/76/63/11/359766311.db2.gz LELYEKBDUMYXFN-SSDOTTSWSA-N 1 0 244.136 1.477 10 0 BDAERO CC[C@]1(NC2=[NH+]CCS2)CCOC1 ZINC000306422369 359862844 /nfs/dbraw/zinc/86/28/44/359862844.db2.gz HPRUCNTUPQOVSU-VIFPVBQESA-N 1 0 200.307 1.248 10 0 BDAERO CC[C@H]1C[NH+]=C(N[C@@H]2CCSC2)S1 ZINC000231359861 359915062 /nfs/dbraw/zinc/91/50/62/359915062.db2.gz JTRUXYMMGMXOJW-SFYZADRCSA-N 1 0 216.375 1.963 10 0 BDAERO C[C@H]1C[NH+]=C(N[C@H]2CCSC2)S1 ZINC000231360045 359915980 /nfs/dbraw/zinc/91/59/80/359915980.db2.gz HRFIHNREPAIJPE-BQBZGAKWSA-N 1 0 202.348 1.573 10 0 BDAERO [NH3+]C1(C(=O)Nc2cccc(-c3cnco3)c2)CC1 ZINC000088130278 359938311 /nfs/dbraw/zinc/93/83/11/359938311.db2.gz NOLIWDNIHLXFIC-UHFFFAOYSA-N 1 0 243.266 1.771 10 0 BDAERO O[C@H](c1cc(Cl)cs1)C1C[NH2+]C1 ZINC000306442666 360014106 /nfs/dbraw/zinc/01/41/06/360014106.db2.gz YOXRDDRLVVYFHJ-QMMMGPOBSA-N 1 0 203.694 1.654 10 0 BDAERO C[C@H]1[C@H](NO)CC[N@@H+]1Cc1ccccc1 ZINC000306449564 360017770 /nfs/dbraw/zinc/01/77/70/360017770.db2.gz ARUVOZQVRBKJSO-CMPLNLGQSA-N 1 0 206.289 1.628 10 0 BDAERO CCC[C@@H](C)[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000089678282 360033962 /nfs/dbraw/zinc/03/39/62/360033962.db2.gz ADTKBNKKKXFLAR-YPMHNXCESA-N 1 0 226.364 1.628 10 0 BDAERO Cc1cc(C[N@@H+]2CCC[C@H]2CCCO)n(C)n1 ZINC000089205318 360001181 /nfs/dbraw/zinc/00/11/81/360001181.db2.gz OSYMJBYQHWILHO-LBPRGKRZSA-N 1 0 237.347 1.465 10 0 BDAERO CC1(C)C[NH2+]C[C@](C)(C(F)(F)F)OC1 ZINC000306472047 360099473 /nfs/dbraw/zinc/09/94/73/360099473.db2.gz SMXGRDMUEBXADI-MRVPVSSYSA-N 1 0 211.227 1.953 10 0 BDAERO Cn1ncc(Br)c1[C@H]1[NH2+]CC1(C)C ZINC000306473010 360101493 /nfs/dbraw/zinc/10/14/93/360101493.db2.gz DAQABNOGMHYSPF-MRVPVSSYSA-N 1 0 244.136 1.853 10 0 BDAERO CC[C@@H](COC)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090226281 360067628 /nfs/dbraw/zinc/06/76/28/360067628.db2.gz YJIQNJLGVMSFNS-WDEREUQCSA-N 1 0 238.335 1.436 10 0 BDAERO Cn1nccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000092785220 360196632 /nfs/dbraw/zinc/19/66/32/360196632.db2.gz PTIAUQRKMBYWFM-LLVKDONJSA-N 1 0 223.320 1.157 10 0 BDAERO c1cc(C2CC[NH+](CC3=CCCOC3)CC2)n[nH]1 ZINC000092810963 360200840 /nfs/dbraw/zinc/20/08/40/360200840.db2.gz LGICEXKKRSSFLD-UHFFFAOYSA-N 1 0 247.342 1.936 10 0 BDAERO [NH3+][C@H]1CC[C@@H](CCNc2ncns2)C1 ZINC000306487847 360175343 /nfs/dbraw/zinc/17/53/43/360175343.db2.gz JFZGHVNAMBJOEA-YUMQZZPRSA-N 1 0 212.322 1.468 10 0 BDAERO CCOC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092632087 360186917 /nfs/dbraw/zinc/18/69/17/360186917.db2.gz ZBCAWWWZGVRNDN-RYUDHWBXSA-N 1 0 242.363 1.354 10 0 BDAERO C[NH+](C)CCNc1ncc(Cl)s1 ZINC000306494170 360216763 /nfs/dbraw/zinc/21/67/63/360216763.db2.gz XCQCWASWCPYIIJ-UHFFFAOYSA-N 1 0 205.714 1.770 10 0 BDAERO CCC[C@@H](C(=O)NC1CCC(O)CC1)[NH+](C)C ZINC000093243955 360222730 /nfs/dbraw/zinc/22/27/30/360222730.db2.gz ZIYKJIBEJGHQPS-MCIGGMRASA-N 1 0 242.363 1.136 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC3(C2)OCCO3)[C@@H]1C ZINC000306496414 360224484 /nfs/dbraw/zinc/22/44/84/360224484.db2.gz XQLOGIDZDYHYIH-KKOKHZNYSA-N 1 0 225.332 1.916 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000309436902 491148264 /nfs/dbraw/zinc/14/82/64/491148264.db2.gz NAEKKWJHSBNLIO-NWDGAFQWSA-N 1 0 226.364 1.485 10 0 BDAERO Cn1cnnc1[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000093810424 360279631 /nfs/dbraw/zinc/27/96/31/360279631.db2.gz SLTAWXWPKBIBNN-LLVKDONJSA-N 1 0 220.320 1.895 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CCC[C@@H]1O ZINC000306502005 360294457 /nfs/dbraw/zinc/29/44/57/360294457.db2.gz SXBHKZWMVBJYCZ-RYUDHWBXSA-N 1 0 233.315 1.214 10 0 BDAERO C[S@@](=O)C1(CNC2=[NH+]CCC2)CCC1 ZINC000306515342 360341352 /nfs/dbraw/zinc/34/13/52/360341352.db2.gz CZNHZXILGDJHRS-CQSZACIVSA-N 1 0 214.334 1.070 10 0 BDAERO Cc1cocc1C(=O)[C@H]1CC[C@H](C[NH3+])O1 ZINC000306524217 360368398 /nfs/dbraw/zinc/36/83/98/360368398.db2.gz XTFQAOYKAZFYSJ-PSASIEDQSA-N 1 0 209.245 1.277 10 0 BDAERO [NH3+]C[C@]1(c2ncns2)CCCS1 ZINC000306522160 360358301 /nfs/dbraw/zinc/35/83/01/360358301.db2.gz GZFVQPNHJWRYPX-ZETCQYMHSA-N 1 0 201.320 1.219 10 0 BDAERO C[NH+](C)CC1(Nc2ncns2)CCC1 ZINC000306520871 360358593 /nfs/dbraw/zinc/35/85/93/360358593.db2.gz LNFLIRBXQRKYRI-UHFFFAOYSA-N 1 0 212.322 1.434 10 0 BDAERO C[C@H]1[C@H](NC(N)=S)CC[N@@H+]1Cc1ccccc1 ZINC000306561867 360437708 /nfs/dbraw/zinc/43/77/08/360437708.db2.gz SZUVATGUPQZWHZ-CMPLNLGQSA-N 1 0 249.383 1.483 10 0 BDAERO C[C@@H]1CSC[C@@H]1[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000306562321 360440743 /nfs/dbraw/zinc/44/07/43/360440743.db2.gz CJEAPRONRMFBFC-BBBLOLIVSA-N 1 0 213.346 1.649 10 0 BDAERO Cc1cc(C(=O)[C@H](C)[C@@H](C)[NH3+])cnc1C ZINC000306563589 360441876 /nfs/dbraw/zinc/44/18/76/360441876.db2.gz VQKCKZVNXLEQFQ-RKDXNWHRSA-N 1 0 206.289 1.864 10 0 BDAERO Brc1cncc(C2=[NH+]CCCN2)c1 ZINC000306537287 360403646 /nfs/dbraw/zinc/40/36/46/360403646.db2.gz RGTPSKPFBBCIHH-UHFFFAOYSA-N 1 0 240.104 1.584 10 0 BDAERO CC[NH2+][C@@H](C)c1cnn(C)c1Br ZINC000306570078 360450197 /nfs/dbraw/zinc/45/01/97/360450197.db2.gz YBCGSMKVBMOGQG-LURJTMIESA-N 1 0 232.125 1.853 10 0 BDAERO CC(C)NC(=[NH2+])N1CCSC[C@@H]1C ZINC000069762379 360423493 /nfs/dbraw/zinc/42/34/93/360423493.db2.gz RESSZTFBFSNBQZ-QMMMGPOBSA-N 1 0 201.339 1.356 10 0 BDAERO CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000306557951 360430968 /nfs/dbraw/zinc/43/09/68/360430968.db2.gz OLTQAMZBGIGKLO-RNFRBKRXSA-N 1 0 206.236 1.028 10 0 BDAERO C[NH2+]Cc1cn([C@@H]2CSC[C@@H]2C)cn1 ZINC000306578713 360468755 /nfs/dbraw/zinc/46/87/55/360468755.db2.gz MKNVOCDUFWQDGJ-WCBMZHEXSA-N 1 0 211.334 1.527 10 0 BDAERO CS[C@@H]1CCCN(C2(C[NH3+])CSC2)C1 ZINC000306580994 360479189 /nfs/dbraw/zinc/47/91/89/360479189.db2.gz OHOBJUDIOXGZIQ-SECBINFHSA-N 1 0 232.418 1.258 10 0 BDAERO C/C(=C\c1c(Br)nnn1C)[C@H](C)[NH3+] ZINC000306599697 360520674 /nfs/dbraw/zinc/52/06/74/360520674.db2.gz HUALAJHAWSANGE-OVCGOVNKSA-N 1 0 245.124 1.328 10 0 BDAERO C[C@@](C[NH3+])(C1CC1)N1C(=O)c2ccccc2C1=O ZINC000130465518 360510491 /nfs/dbraw/zinc/51/04/91/360510491.db2.gz PIUBVWGVEAPHQP-CQSZACIVSA-N 1 0 244.294 1.410 10 0 BDAERO NC(=O)c1ccc2[nH]cc(C3CC[NH2+]CC3)c2c1 ZINC000013806200 181302179 /nfs/dbraw/zinc/30/21/79/181302179.db2.gz DRVXDHFVKADYKC-UHFFFAOYSA-N 1 0 243.310 1.734 10 0 BDAERO NC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000071138665 181303932 /nfs/dbraw/zinc/30/39/32/181303932.db2.gz SJNWJRALKWVPTB-STQMWFEESA-N 1 0 248.326 1.179 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000381137736 360748114 /nfs/dbraw/zinc/74/81/14/360748114.db2.gz MAWIVJCQOXRADF-DMDPSCGWSA-N 1 0 229.364 1.534 10 0 BDAERO NC(=S)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019518654 181315955 /nfs/dbraw/zinc/31/59/55/181315955.db2.gz OMQTVZDMTASLKC-UHFFFAOYSA-N 1 0 249.383 1.090 10 0 BDAERO COc1cncc(C[NH3+])c1OC(F)(F)F ZINC000238345881 360909010 /nfs/dbraw/zinc/90/90/10/360909010.db2.gz FVGKYLAHFGJPOY-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000149696219 192898408 /nfs/dbraw/zinc/89/84/08/192898408.db2.gz DUGWHKXKJWRNDL-QJPTWQEYSA-N 1 0 242.363 1.304 10 0 BDAERO O=C1NCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000309599748 491153007 /nfs/dbraw/zinc/15/30/07/491153007.db2.gz WCPPEBONEYTCEN-GFCCVEGCSA-N 1 0 224.348 1.825 10 0 BDAERO COc1cc(C[NH3+])c(OC(F)(F)F)cn1 ZINC000238403313 360995292 /nfs/dbraw/zinc/99/52/92/360995292.db2.gz KOBXRVBZLMSMKI-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO CC[N@H+]1C[C@H](NCc2ncc(C)o2)[C@@H](C)C1 ZINC000309642917 491153412 /nfs/dbraw/zinc/15/34/12/491153412.db2.gz LEETVOXQFZPXPQ-ONGXEEELSA-N 1 0 223.320 1.413 10 0 BDAERO C[C@@H]1C[N@@H+](CCC(N)=S)C[C@H](C)S1 ZINC000069908530 361001445 /nfs/dbraw/zinc/00/14/45/361001445.db2.gz SCBVTWNYPTZXFP-OCAPTIKFSA-N 1 0 218.391 1.488 10 0 BDAERO C[C@H]1CC[C@H](NC(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000417553686 200809438 /nfs/dbraw/zinc/80/94/38/200809438.db2.gz HWNGYKSHLSBMRJ-SRVKXCTJSA-N 1 0 239.363 1.474 10 0 BDAERO C[C@@H]1C[S@](=O)c2ccc(F)cc2[C@@H]1[NH3+] ZINC000040974102 360983336 /nfs/dbraw/zinc/98/33/36/360983336.db2.gz WFIWLYQHYDERSR-YEWULCJVSA-N 1 0 213.277 1.583 10 0 BDAERO C[C@@H]1CN([C@@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000069908587 361014029 /nfs/dbraw/zinc/01/40/29/361014029.db2.gz PAAGCDLZAIHLQW-OPRDCNLKSA-N 1 0 200.351 1.174 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+]C[C@H]1CCSC1 ZINC000224395242 491154324 /nfs/dbraw/zinc/15/43/24/491154324.db2.gz PORVAOGNYFGFOC-MNOVXSKESA-N 1 0 215.362 1.898 10 0 BDAERO Cc1c(C[NH3+])cncc1OC(F)(F)F ZINC000238454488 361079614 /nfs/dbraw/zinc/07/96/14/361079614.db2.gz YNXHCNPWEBCCLW-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CC23CC3)[C@@H]2CCO[C@@H]21 ZINC000424333647 200915687 /nfs/dbraw/zinc/91/56/87/200915687.db2.gz YAGKINRCBDACLF-ZDCRXTMVSA-N 1 0 207.317 1.942 10 0 BDAERO [NH3+]C1(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)CCCC1 ZINC000104239101 181325610 /nfs/dbraw/zinc/32/56/10/181325610.db2.gz ANIKBRQCEFUAJX-TUAOUCFPSA-N 1 0 236.359 1.810 10 0 BDAERO [NH3+]Cc1c(F)cncc1OC(F)(F)F ZINC000238608253 361163143 /nfs/dbraw/zinc/16/31/43/361163143.db2.gz SIAXTMGHWKUPEQ-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO CC[C@@]1(CNc2ncns2)CCC[NH2+]1 ZINC000306620494 361204332 /nfs/dbraw/zinc/20/43/32/361204332.db2.gz WYPYPYOFAIGUKL-VIFPVBQESA-N 1 0 212.322 1.482 10 0 BDAERO CSCCCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000158815739 361212727 /nfs/dbraw/zinc/21/27/27/361212727.db2.gz YTLJARPBYBUDCA-ZJUUUORDSA-N 1 0 230.377 1.101 10 0 BDAERO CC1(C[NH2+]C2CCN(CCO)CC2)CCC1 ZINC000309759237 491155630 /nfs/dbraw/zinc/15/56/30/491155630.db2.gz IHWQWOKQCYPOJH-UHFFFAOYSA-N 1 0 226.364 1.223 10 0 BDAERO [NH3+]C1(C(=O)N[C@H]2COc3ccccc32)CCCC1 ZINC000070530558 181329737 /nfs/dbraw/zinc/32/97/37/181329737.db2.gz FDRSISFFDUUWEQ-NSHDSACASA-N 1 0 246.310 1.508 10 0 BDAERO [NH3+][C@@H]1CCCN(Cc2ccsc2)C1=O ZINC000070061539 361390309 /nfs/dbraw/zinc/39/03/09/361390309.db2.gz TUUXODVUELIWGU-SECBINFHSA-N 1 0 210.302 1.198 10 0 BDAERO [NH3+]C1(c2nc3c(c(=O)[nH]2)CCCC3)CCCC1 ZINC000071398227 181335729 /nfs/dbraw/zinc/33/57/29/181335729.db2.gz MITCPDUHNFPTNZ-UHFFFAOYSA-N 1 0 233.315 1.377 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1nccs1 ZINC000082992111 491158194 /nfs/dbraw/zinc/15/81/94/491158194.db2.gz QOVGGCXYTXPYFD-NXEZZACHSA-N 1 0 226.345 1.784 10 0 BDAERO [NH3+]C1CC(NC(=O)C2CCCCCC2)C1 ZINC000053715505 181340244 /nfs/dbraw/zinc/34/02/44/181340244.db2.gz IGKMPDZFDFJPAS-UHFFFAOYSA-N 1 0 210.321 1.563 10 0 BDAERO C[NH2+][C@@H]1CCN(C(N)=O)c2ccccc21 ZINC000070601225 361584156 /nfs/dbraw/zinc/58/41/56/361584156.db2.gz YYJDXCWBSSRRLH-SECBINFHSA-N 1 0 205.261 1.236 10 0 BDAERO [NH3+]C1CC(NC(=O)c2ccc(F)cc2Cl)C1 ZINC000036237095 181340124 /nfs/dbraw/zinc/34/01/24/181340124.db2.gz OXHAIPSCPUWKBV-UHFFFAOYSA-N 1 0 242.681 1.699 10 0 BDAERO C[C@@H]([C@H]1CNCCO1)[N@H+](C)C(C)(C)C ZINC000306638411 361586304 /nfs/dbraw/zinc/58/63/04/361586304.db2.gz BZXCDJWTMPTCOO-VHSXEESVSA-N 1 0 200.326 1.094 10 0 BDAERO [NH3+]C1CCC(C(=O)N2CCCSCC2)CC1 ZINC000042444694 181340223 /nfs/dbraw/zinc/34/02/23/181340223.db2.gz SECMGZVBKQFHSO-UHFFFAOYSA-N 1 0 242.388 1.469 10 0 BDAERO [NH3+]C1CC(NC(=O)c2ccc(Cl)cc2O)C1 ZINC000036237209 181340630 /nfs/dbraw/zinc/34/06/30/181340630.db2.gz WANAEIISFLDQCG-UHFFFAOYSA-N 1 0 240.690 1.265 10 0 BDAERO [NH3+]C1CCC(N2C(=O)CCCCC2=O)CC1 ZINC000036881167 181341874 /nfs/dbraw/zinc/34/18/74/181341874.db2.gz ZLDYATYJYBUCDW-UHFFFAOYSA-N 1 0 224.304 1.186 10 0 BDAERO C[C@H]1CSCCN1C[C@]1(C)CCC[NH2+]1 ZINC000070619992 361642947 /nfs/dbraw/zinc/64/29/47/361642947.db2.gz AHRFEUPPIRJADD-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO [NH3+]C1CCC(C(=O)OC[C@@H]2CCCO2)CC1 ZINC000048637234 181341304 /nfs/dbraw/zinc/34/13/04/181341304.db2.gz ZFFRHMVKSSGSQA-ILDUYXDCSA-N 1 0 227.304 1.226 10 0 BDAERO [NH3+]C1CCC(Oc2ncccc2F)CC1 ZINC000055143366 181342183 /nfs/dbraw/zinc/34/21/83/181342183.db2.gz WYWXZXGJSYZVQE-UHFFFAOYSA-N 1 0 210.252 1.869 10 0 BDAERO [NH3+]C1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000036754401 181344692 /nfs/dbraw/zinc/34/46/92/181344692.db2.gz YDVFBVTYOJECMP-GFCCVEGCSA-N 1 0 248.326 1.250 10 0 BDAERO [NH3+]C1CCN([C@@H]2CCCCCC2=O)CC1 ZINC000062749605 181345301 /nfs/dbraw/zinc/34/53/01/181345301.db2.gz VQRRPYSUKJPBKA-LLVKDONJSA-N 1 0 210.321 1.311 10 0 BDAERO NC(=S)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000070663715 361708115 /nfs/dbraw/zinc/70/81/15/361708115.db2.gz POHWXVKZDUECJV-SECBINFHSA-N 1 0 212.362 1.927 10 0 BDAERO [NH3+][C@H]1CC[C@](O)(C(F)(F)Br)C1 ZINC000225658321 363857763 /nfs/dbraw/zinc/85/77/63/363857763.db2.gz JWAKJQMKBMAPQC-CRCLSJGQSA-N 1 0 230.052 1.216 10 0 BDAERO O=Cc1ccc(CN2CCCOCC2)o1 ZINC000161283261 363909670 /nfs/dbraw/zinc/90/96/70/363909670.db2.gz FWTMYURZGYWKRN-UHFFFAOYSA-N 1 0 209.245 1.314 10 0 BDAERO CO[C@@H]1CN(CCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630359727 364080694 /nfs/dbraw/zinc/08/06/94/364080694.db2.gz HCMXUQLGJBSXJY-LSDHHAIUSA-N 1 0 248.370 1.667 10 0 BDAERO CO[C@@H]1CN(Cc2cccnc2C)[C@](C)(C[NH3+])C1 ZINC000630368888 364086465 /nfs/dbraw/zinc/08/64/65/364086465.db2.gz UAPVRRMIWIYOFU-KBPBESRZSA-N 1 0 249.358 1.328 10 0 BDAERO CCC(=O)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263640 541336276 /nfs/dbraw/zinc/33/62/76/541336276.db2.gz XTTUGECBSOPDOY-SGMGOOAPSA-N 1 0 236.359 1.777 10 0 BDAERO CCOC(=O)c1cc(F)c2c(c1)C[NH2+]CCO2 ZINC000725260115 541334350 /nfs/dbraw/zinc/33/43/50/541334350.db2.gz MXDZFCFIFNMLQR-UHFFFAOYSA-N 1 0 239.246 1.484 10 0 BDAERO [NH3+]CC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000062657577 181355927 /nfs/dbraw/zinc/35/59/27/181355927.db2.gz UFTAGJBNQKCBHV-UHFFFAOYSA-N 1 0 236.168 1.742 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000725269021 541338381 /nfs/dbraw/zinc/33/83/81/541338381.db2.gz BWKBUPALPPDNPI-NWDGAFQWSA-N 1 0 241.379 1.862 10 0 BDAERO CCCOc1nccnc1N(C)CCC[NH3+] ZINC000630509959 364198182 /nfs/dbraw/zinc/19/81/82/364198182.db2.gz SVFUIFNCURLFAJ-UHFFFAOYSA-N 1 0 224.308 1.050 10 0 BDAERO COc1cccnc1N(C)CC(C)(C)[NH3+] ZINC000630517278 364199528 /nfs/dbraw/zinc/19/95/28/364199528.db2.gz PNBZJVDPSJFYDA-UHFFFAOYSA-N 1 0 209.293 1.264 10 0 BDAERO CCCOc1nccnc1N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000630515138 364200786 /nfs/dbraw/zinc/20/07/86/364200786.db2.gz PJNQUCHCWOFHHW-ZJUUUORDSA-N 1 0 236.319 1.049 10 0 BDAERO Cc1ccc(NC(=O)C2CCC([NH3+])CC2)nc1 ZINC000257750108 370745607 /nfs/dbraw/zinc/74/56/07/370745607.db2.gz ZTKBFPVSMAOGHY-UHFFFAOYSA-N 1 0 233.315 1.846 10 0 BDAERO [NH3+]CC1(C(=O)Nc2ccncc2)CCC1 ZINC000082639837 181358966 /nfs/dbraw/zinc/35/89/66/181358966.db2.gz CNVUJMRWXKLRDR-UHFFFAOYSA-N 1 0 205.261 1.149 10 0 BDAERO CCCOc1nccnc1N(CC)CC[NH3+] ZINC000630523513 364213640 /nfs/dbraw/zinc/21/36/40/364213640.db2.gz HMRXKEKKZQOBEE-UHFFFAOYSA-N 1 0 224.308 1.050 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cccc(C)n1 ZINC000630526810 364213667 /nfs/dbraw/zinc/21/36/67/364213667.db2.gz FBMJHGNODMAENZ-WDEREUQCSA-N 1 0 205.305 1.942 10 0 BDAERO Cc1cc(C)nc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630532993 364223023 /nfs/dbraw/zinc/22/30/23/364223023.db2.gz MIYNYXZVFVFURD-KWQFWETISA-N 1 0 220.320 1.646 10 0 BDAERO [NH3+]CC1(C(=O)NC2CCCC2)CCCCC1 ZINC000044761334 181358778 /nfs/dbraw/zinc/35/87/78/181358778.db2.gz TWUORKVFUHEPHF-UHFFFAOYSA-N 1 0 224.348 1.954 10 0 BDAERO COc1cccnc1N[C@@H]1CC[NH2+][C@H]1C ZINC000630546114 364241031 /nfs/dbraw/zinc/24/10/31/364241031.db2.gz SFUPBIKYVSJNFR-DTWKUNHWSA-N 1 0 207.277 1.253 10 0 BDAERO Cc1cnc(N2CCCCC[C@@H]([NH3+])C2)nc1 ZINC000630549846 364244150 /nfs/dbraw/zinc/24/41/50/364244150.db2.gz QFGFPJAPHQIKCI-LLVKDONJSA-N 1 0 220.320 1.493 10 0 BDAERO CN(C)c1nccc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630548302 364245052 /nfs/dbraw/zinc/24/50/52/364245052.db2.gz CKDKGGXSVDZMFE-NSHDSACASA-N 1 0 249.362 1.250 10 0 BDAERO C[C@H]1CN(c2nccc3occc32)C[C@@H]1C[NH3+] ZINC000630554503 364250407 /nfs/dbraw/zinc/25/04/07/364250407.db2.gz PPYCNJBOTVKDBD-UWVGGRQHSA-N 1 0 231.299 1.859 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2ncnc3nc[nH]c32)CC1 ZINC000630557684 364256026 /nfs/dbraw/zinc/25/60/26/364256026.db2.gz RTJIWZIQRZKVHZ-KYZUINATSA-N 1 0 246.318 1.282 10 0 BDAERO Cc1nccnc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000630559044 364260109 /nfs/dbraw/zinc/26/01/09/364260109.db2.gz 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/nfs/dbraw/zinc/26/70/12/364267012.db2.gz PTPKZQIWMRFNRC-LDYMZIIASA-N 1 0 220.320 1.124 10 0 BDAERO C[C@H]1CC[C@H](Nc2ccnc3cccnc32)C[NH2+]1 ZINC000630533480 364226408 /nfs/dbraw/zinc/22/64/08/364226408.db2.gz PPRCQNQQEPBNNJ-QWRGUYRKSA-N 1 0 242.326 1.604 10 0 BDAERO C[C@H]1CC[C@H](Nc2ncc(F)cn2)C[NH2+]1 ZINC000630534340 364228108 /nfs/dbraw/zinc/22/81/08/364228108.db2.gz WKVPOKKKJKLPKZ-CBAPKCEASA-N 1 0 210.256 1.168 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCO[C@H]2C)nc1 ZINC000134242036 364395575 /nfs/dbraw/zinc/39/55/75/364395575.db2.gz BUPYWGZIRPANOI-JQWIXIFHSA-N 1 0 206.289 1.657 10 0 BDAERO [NH3+]CC1(c2ccc(Cl)s2)OCCO1 ZINC000049817574 181363132 /nfs/dbraw/zinc/36/31/32/181363132.db2.gz UQYQUTFPBZKXSF-UHFFFAOYSA-N 1 0 219.693 1.560 10 0 BDAERO [NH3+]CC1(c2cccs2)CCC(O)CC1 ZINC000077304723 181363977 /nfs/dbraw/zinc/36/39/77/181363977.db2.gz KFPNTGLIFRPORU-UHFFFAOYSA-N 1 0 211.330 1.880 10 0 BDAERO [NH3+]CC1=NN[C@H](c2ccc(Cl)cc2)C1 ZINC000041141402 181364111 /nfs/dbraw/zinc/36/41/11/181364111.db2.gz NOCOKPLKIABNPY-JTQLQIEISA-N 1 0 209.680 1.689 10 0 BDAERO [NH3+]CC1(c2cnc(Br)cn2)CC1 ZINC000095802957 181363605 /nfs/dbraw/zinc/36/36/05/181363605.db2.gz JTRDELXIYORQQK-UHFFFAOYSA-N 1 0 228.093 1.229 10 0 BDAERO CC(C)CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170861644 364533370 /nfs/dbraw/zinc/53/33/70/364533370.db2.gz RXUQOZBGEMNFMR-NSHDSACASA-N 1 0 227.352 1.378 10 0 BDAERO [NH3+]CCC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819529 181366985 /nfs/dbraw/zinc/36/69/85/181366985.db2.gz FKDKYNWIHDHGKM-SNVBAGLBSA-N 1 0 207.277 1.027 10 0 BDAERO [NH3+]CCC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000037018326 181369479 /nfs/dbraw/zinc/36/94/79/181369479.db2.gz WATNGOSZOVIDTF-UHFFFAOYSA-N 1 0 242.662 1.356 10 0 BDAERO [NH3+]CCC(=O)OCCc1ccc2c(c1)CCCC2 ZINC000077417895 181370073 /nfs/dbraw/zinc/37/00/73/181370073.db2.gz MBUQQUBZYGABRK-UHFFFAOYSA-N 1 0 247.338 2.000 10 0 BDAERO [NH3+]CCCC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819560 181371333 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KSFWYAXVBKATBG-UHFFFAOYSA-N 1 0 208.290 1.425 10 0 BDAERO [NH3+]CCCc1nnc(-c2c(F)cccc2F)o1 ZINC000050283579 181388057 /nfs/dbraw/zinc/38/80/57/181388057.db2.gz ANIORVWYZYCDDW-UHFFFAOYSA-N 1 0 239.225 1.906 10 0 BDAERO [NH3+]CCCc1nccn1Cc1ccccc1 ZINC000044281424 181388419 /nfs/dbraw/zinc/38/84/19/181388419.db2.gz MNJNCMGDELAYSG-UHFFFAOYSA-N 1 0 215.300 1.823 10 0 BDAERO [NH3+]CCCc1noc(-c2cscn2)n1 ZINC000062361991 181388612 /nfs/dbraw/zinc/38/86/12/181388612.db2.gz FVXPSQTZGQOSKI-UHFFFAOYSA-N 1 0 210.262 1.084 10 0 BDAERO [NH3+]CCN(Cc1ccncc1)Cc1cccnc1 ZINC000076625021 181390560 /nfs/dbraw/zinc/39/05/60/181390560.db2.gz WZCLNEWZGRIZFM-UHFFFAOYSA-N 1 0 242.326 1.438 10 0 BDAERO [NH3+]CCN(C(=O)Nc1ccccc1)C1CC1 ZINC000041056859 181390905 /nfs/dbraw/zinc/39/09/05/181390905.db2.gz NLWWXANFVADDSN-UHFFFAOYSA-N 1 0 219.288 1.642 10 0 BDAERO CC1CC(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000574571789 365093866 /nfs/dbraw/zinc/09/38/66/365093866.db2.gz ONFNPKUJFHBJIP-UNTZMWQOSA-N 1 0 236.359 1.491 10 0 BDAERO [NH3+]CCNc1nc2cc(Cl)ccc2[nH]1 ZINC000082741443 181398346 /nfs/dbraw/zinc/39/83/46/181398346.db2.gz XRDFBTYOTNVDFX-UHFFFAOYSA-N 1 0 210.668 1.587 10 0 BDAERO [NH3+]CCc1ccc(C(F)(F)F)cc1O ZINC000071445495 181412129 /nfs/dbraw/zinc/41/21/29/181412129.db2.gz UNDIHSQJCBPTJQ-UHFFFAOYSA-N 1 0 205.179 1.912 10 0 BDAERO [NH3+]CCc1csc(-c2ccncc2F)n1 ZINC000083352554 181413260 /nfs/dbraw/zinc/41/32/60/181413260.db2.gz IBDNCQROVCCAGR-UHFFFAOYSA-N 1 0 223.276 1.845 10 0 BDAERO [NH3+]CCn1cc2cccc(Br)c2n1 ZINC000075883905 181415604 /nfs/dbraw/zinc/41/56/04/181415604.db2.gz OMNFYOYGUVNQMX-UHFFFAOYSA-N 1 0 240.104 1.758 10 0 BDAERO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[C@H]1O ZINC000575991804 365439234 /nfs/dbraw/zinc/43/92/34/365439234.db2.gz DRGYYRJSCAODIB-UMSGYPCISA-N 1 0 227.348 1.383 10 0 BDAERO CCCNC(=O)N[C@@]1(CC)CCC[NH2+]C1 ZINC000685947605 541496622 /nfs/dbraw/zinc/49/66/22/541496622.db2.gz PULKEJLZCJUBKO-NSHDSACASA-N 1 0 213.325 1.228 10 0 BDAERO CC(C)[C@@H]1CC[NH+]=C2N[C@@H]3CCCC[C@@H]3N21 ZINC000232721054 541505700 /nfs/dbraw/zinc/50/57/00/541505700.db2.gz GFMIVHUVKWUHND-WOPDTQHZSA-N 1 0 221.348 1.987 10 0 BDAERO Clc1cccc(-c2cnnn2C2C[NH2+]C2)c1 ZINC000685952121 541497415 /nfs/dbraw/zinc/49/74/15/541497415.db2.gz VLDRNTSWJGTJKL-UHFFFAOYSA-N 1 0 234.690 1.743 10 0 BDAERO CCn1cc([C@H]2OCCC[C@@H]2C[NH3+])cn1 ZINC000234257899 541512154 /nfs/dbraw/zinc/51/21/54/541512154.db2.gz DGQICGWXCWYOPS-KOLCDFICSA-N 1 0 209.293 1.329 10 0 BDAERO CCOC(=O)[C@H]1Cn2cc(C)[nH+]c2N[C@@H]1C ZINC000233967356 541510181 /nfs/dbraw/zinc/51/01/81/541510181.db2.gz VDGOLLOSMSEKBR-BDAKNGLRSA-N 1 0 223.276 1.185 10 0 BDAERO CC1(C)CN(C[C@H]2CC[NH2+]2)CC(C)(C)O1 ZINC000384823143 541515794 /nfs/dbraw/zinc/51/57/94/541515794.db2.gz SINHZBSCJPKBFE-SNVBAGLBSA-N 1 0 212.337 1.238 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000366958027 367077540 /nfs/dbraw/zinc/07/75/40/367077540.db2.gz IODZZLZAHKRPLJ-FRRDWIJNSA-N 1 0 249.358 1.925 10 0 BDAERO CC[C@@H]([NH2+]C[C@@](C)(O)COC)C(C)(C)C ZINC000380344457 367188632 /nfs/dbraw/zinc/18/86/32/367188632.db2.gz SSHHCYRTBVFWHG-ZYHUDNBSSA-N 1 0 217.353 1.798 10 0 BDAERO C[C@@H]1[C@H](C)OCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000380569824 367244653 /nfs/dbraw/zinc/24/46/53/367244653.db2.gz RGGPRZKVIAZMJV-WOPDTQHZSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1nnsc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000381662312 367446239 /nfs/dbraw/zinc/44/62/39/367446239.db2.gz UXPWCQOJTSHIOT-JTQLQIEISA-N 1 0 238.360 1.127 10 0 BDAERO [NH3+]CC[C@H](NC(=O)CC(F)(F)F)C(F)F ZINC000383352285 367615677 /nfs/dbraw/zinc/61/56/77/367615677.db2.gz DVPKZKXOTLGIGE-BYPYZUCNSA-N 1 0 234.168 1.038 10 0 BDAERO CCc1ncnc(N[C@H](CC[NH3+])C(F)F)c1F ZINC000383502104 367630246 /nfs/dbraw/zinc/63/02/46/367630246.db2.gz ZWBZEPBDCOVIBX-SSDOTTSWSA-N 1 0 248.252 1.573 10 0 BDAERO CCn1ccnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000383680164 367648817 /nfs/dbraw/zinc/64/88/17/367648817.db2.gz ONZNRUFCONTDNJ-SRVKXCTJSA-N 1 0 234.347 1.072 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCOCC1 ZINC000383986994 367666728 /nfs/dbraw/zinc/66/67/28/367666728.db2.gz KUPLVOFRQGEFLE-NWDGAFQWSA-N 1 0 240.347 1.061 10 0 BDAERO Cc1cnccc1CN1CCC[C@H]1C[NH3+] ZINC000384913336 367755660 /nfs/dbraw/zinc/75/56/60/367755660.db2.gz CJRLCKREGFNXIA-LBPRGKRZSA-N 1 0 205.305 1.313 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384935486 367760251 /nfs/dbraw/zinc/76/02/51/367760251.db2.gz SYXONUZZWXQOOI-YNEHKIRRSA-N 1 0 245.363 1.009 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000384935464 367760393 /nfs/dbraw/zinc/76/03/93/367760393.db2.gz SYXONUZZWXQOOI-JHJVBQTASA-N 1 0 245.363 1.009 10 0 BDAERO CC(C)Oc1cc(N2C[C@H]([NH3+])C[C@@H]2C)ncn1 ZINC000385195209 367806148 /nfs/dbraw/zinc/80/61/48/367806148.db2.gz OMLCTNDPVHMWAV-VHSXEESVSA-N 1 0 236.319 1.190 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)CCC(=O)OCC ZINC000385527065 367840382 /nfs/dbraw/zinc/84/03/82/367840382.db2.gz JFTWIEKMNKMMOR-UTUOFQBUSA-N 1 0 243.347 1.469 10 0 BDAERO Cc1cnc(N[C@H](C[NH3+])CC(C)C)nc1C ZINC000386389578 367961166 /nfs/dbraw/zinc/96/11/66/367961166.db2.gz BNMRXBBVAWMZOJ-NSHDSACASA-N 1 0 222.336 1.879 10 0 BDAERO CCCN(CC(F)F)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000387040156 368045297 /nfs/dbraw/zinc/04/52/97/368045297.db2.gz LPPUSUOPIPGWQV-JTQLQIEISA-N 1 0 248.317 1.880 10 0 BDAERO CCN(CC(F)F)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000387097853 368050231 /nfs/dbraw/zinc/05/02/31/368050231.db2.gz WNTFZUKXQXFLMK-IUCAKERBSA-N 1 0 234.290 1.488 10 0 BDAERO C[C@H](O)[C@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)C1 ZINC000252782346 368065818 /nfs/dbraw/zinc/06/58/18/368065818.db2.gz VOZHDLNMGFKKGS-DCAQKATOSA-N 1 0 211.305 1.201 10 0 BDAERO C[C@H](CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C ZINC000399394234 368162264 /nfs/dbraw/zinc/16/22/64/368162264.db2.gz AGTQFEZLKGYARU-IJLUTSLNSA-N 1 0 240.391 1.983 10 0 BDAERO CC[NH2+][C@H](C)CNc1cc(OCC)ncn1 ZINC000387403210 368169385 /nfs/dbraw/zinc/16/93/85/368169385.db2.gz BAYGZPAGWYDJHU-SECBINFHSA-N 1 0 224.308 1.285 10 0 BDAERO CC[C@@H]1CNCC[N@@H+]1[C@H]1CCCSC1 ZINC000252982717 368178778 /nfs/dbraw/zinc/17/87/78/368178778.db2.gz XQSLVEXSKSOTNR-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO CC[N@@H+]1CCC[C@@](O)(c2cccc(N)c2)C1 ZINC000059129932 368333464 /nfs/dbraw/zinc/33/34/64/368333464.db2.gz IBLRIFZNXRTBPB-ZDUSSCGKSA-N 1 0 220.316 1.572 10 0 BDAERO CC[C@@H]1[NH2+]CCN2CCNc3cccc1c32 ZINC000224576974 368365861 /nfs/dbraw/zinc/36/58/61/368365861.db2.gz HNLIMMSHVOFTQG-NSHDSACASA-N 1 0 217.316 1.973 10 0 BDAERO O=[N+]([O-])c1ccc([C@@H]2C[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000038284006 368376123 /nfs/dbraw/zinc/37/61/23/368376123.db2.gz CDWPCUWAPIPTCY-ZMLRMANQSA-N 1 0 218.256 1.918 10 0 BDAERO CC(C)[C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000081060803 368572089 /nfs/dbraw/zinc/57/20/89/368572089.db2.gz CGRWROGBKIUECB-NWDGAFQWSA-N 1 0 226.364 1.784 10 0 BDAERO CC(C)N(CC1CC1)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559894 368693749 /nfs/dbraw/zinc/69/37/49/368693749.db2.gz MVXPYLXAYYCGIY-ZYHUDNBSSA-N 1 0 224.348 1.489 10 0 BDAERO [NH3+]CCCCn1nc(-c2ccccc2)ccc1=O ZINC000082308176 368670645 /nfs/dbraw/zinc/67/06/45/368670645.db2.gz QZVOSBHKSULPRW-UHFFFAOYSA-N 1 0 243.310 1.649 10 0 BDAERO COc1cc(N2CC[N@H+](C)[C@H](C)C2)ccc1N ZINC000111056550 368846299 /nfs/dbraw/zinc/84/62/99/368846299.db2.gz LXWWYPKAGCCBPW-SNVBAGLBSA-N 1 0 235.331 1.418 10 0 BDAERO Cc1ccc(CC(=O)N2CCC[C@H]2C[NH3+])cc1C ZINC000111366443 368857044 /nfs/dbraw/zinc/85/70/44/368857044.db2.gz YFGNHXVMJFAFTG-AWEZNQCLSA-N 1 0 246.354 1.796 10 0 BDAERO Cc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623766368 369001192 /nfs/dbraw/zinc/00/11/92/369001192.db2.gz FIYSLQKGJUHTQM-OLZOCXBDSA-N 1 0 239.290 1.374 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@H]1CC1(C)C ZINC000623766696 369030070 /nfs/dbraw/zinc/03/00/70/369030070.db2.gz KTTMEJSKVYBSRP-ZDCRXTMVSA-N 1 0 213.321 1.160 10 0 BDAERO COc1ccc2c3c1[C@](O)(C[NH3+])CC[C@@H]3CO2 ZINC000136517060 368985585 /nfs/dbraw/zinc/98/55/85/368985585.db2.gz AMCNPZIROMXQMR-AMIZOPFISA-N 1 0 235.283 1.111 10 0 BDAERO [NH3+][C@H](C1CCC1)[C@@H]1CSCCS1 ZINC000161435474 369082872 /nfs/dbraw/zinc/08/28/72/369082872.db2.gz NSSJPRAIFSFFAX-DTWKUNHWSA-N 1 0 203.376 1.962 10 0 BDAERO CC(C)[C@@H](C)C(=O)N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000616573300 369094454 /nfs/dbraw/zinc/09/44/54/369094454.db2.gz QZXNNQJWBYVLKW-MXWKQRLJSA-N 1 0 212.337 1.665 10 0 BDAERO CC(C)(C)OC(=O)N1CCCC[NH2+]CC1 ZINC000105640290 369060735 /nfs/dbraw/zinc/06/07/35/369060735.db2.gz HURXVNASIALUGT-UHFFFAOYSA-N 1 0 214.309 1.607 10 0 BDAERO [NH3+]CCN1C[C@@H](c2cc[nH]n2)Nc2ccccc21 ZINC000616693427 369115690 /nfs/dbraw/zinc/11/56/90/369115690.db2.gz QPGWTZGOOGYHLQ-LBPRGKRZSA-N 1 0 243.314 1.342 10 0 BDAERO [NH3+]C[C@H](c1ccc(Cl)s1)n1cncn1 ZINC000043254306 181453923 /nfs/dbraw/zinc/45/39/23/181453923.db2.gz WKSQFVLPTMXGMD-ZCFIWIBFSA-N 1 0 228.708 1.541 10 0 BDAERO [NH3+]C[C@H](c1cccc(F)c1)N1CCSCC1 ZINC000020257039 181454813 /nfs/dbraw/zinc/45/48/13/181454813.db2.gz QNTOILVKZFCGRS-GFCCVEGCSA-N 1 0 240.347 1.874 10 0 BDAERO [NH3+]C[C@H](O)CNc1cccc(Cl)c1Cl ZINC000033465311 181449517 /nfs/dbraw/zinc/44/95/17/181449517.db2.gz KXGIRBVEIVVXGU-LURJTMIESA-N 1 0 235.114 1.725 10 0 BDAERO [NH3+]C[C@H](O)CCOc1cccc2cccnc21 ZINC000019668622 181449622 /nfs/dbraw/zinc/44/96/22/181449622.db2.gz GEMXAJUDVDQJCA-LLVKDONJSA-N 1 0 232.283 1.323 10 0 BDAERO [NH3+]C[C@H](O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000036897219 181450405 /nfs/dbraw/zinc/45/04/05/181450405.db2.gz WBIZNKCUNNOUAO-VIFPVBQESA-N 1 0 243.690 1.493 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ncc[nH]1 ZINC000616690668 369113620 /nfs/dbraw/zinc/11/36/20/369113620.db2.gz BSCWCJHUXDMJKZ-GFCCVEGCSA-N 1 0 243.314 1.342 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1c[nH]cn1 ZINC000616690641 369113845 /nfs/dbraw/zinc/11/38/45/369113845.db2.gz AKPSVEGZGHULDU-CYBMUJFWSA-N 1 0 243.314 1.342 10 0 BDAERO [NH3+]C[C@H]1CCN(CC(=O)c2ccc(F)cc2)C1 ZINC000050250248 181465116 /nfs/dbraw/zinc/46/51/16/181465116.db2.gz FPGPFLYMMZTOJC-SNVBAGLBSA-N 1 0 236.290 1.289 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000106882222 369214429 /nfs/dbraw/zinc/21/44/29/369214429.db2.gz RCQDHNFJQVHOAL-VIFPVBQESA-N 1 0 203.644 1.732 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[NH2+]CC2(C)C)C1 ZINC000567558285 326216317 /nfs/dbraw/zinc/21/63/17/326216317.db2.gz YPOBSYBVYURRIU-ILDUYXDCSA-N 1 0 224.348 1.537 10 0 BDAERO [NH3+]Cc1ccc(-n2cccn2)cc1Cl ZINC000061846479 181479541 /nfs/dbraw/zinc/47/95/41/181479541.db2.gz RHYVMNIYSVPJFQ-UHFFFAOYSA-N 1 0 207.664 1.984 10 0 BDAERO [NH3+]Cc1ccc(-c2nnc3ccccn32)cc1 ZINC000019504594 181479807 /nfs/dbraw/zinc/47/98/07/181479807.db2.gz ATLIOQMNHMRZOM-UHFFFAOYSA-N 1 0 224.267 1.855 10 0 BDAERO O[C@@H](c1cncs1)[C@H]1CCCCC[NH2+]1 ZINC000161515699 369584033 /nfs/dbraw/zinc/58/40/33/369584033.db2.gz GGQVTWFRJYXKLP-PSASIEDQSA-N 1 0 212.318 1.709 10 0 BDAERO COc1cc(C[NH+]2CCCC2)ccc1N ZINC000204905999 369689598 /nfs/dbraw/zinc/68/95/98/369689598.db2.gz VRTUNKAZTAOFGZ-UHFFFAOYSA-N 1 0 206.289 1.873 10 0 BDAERO CC[NH+](CC)CCCNC(=O)N[C@@H]1C[C@@H]1C ZINC000076050333 370206562 /nfs/dbraw/zinc/20/65/62/370206562.db2.gz UCEWSEQJWGJFOE-WDEREUQCSA-N 1 0 227.352 1.426 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(CCO)C2)C1 ZINC000309783709 370260997 /nfs/dbraw/zinc/26/09/97/370260997.db2.gz NMHTZZIMLKNFGN-JHJVBQTASA-N 1 0 226.364 1.221 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621380896 370324484 /nfs/dbraw/zinc/32/44/84/370324484.db2.gz HNDCKHWFRQFMQD-STQMWFEESA-N 1 0 240.391 1.564 10 0 BDAERO C[C@@]1(C(=O)NCC[C@@H]2CC2(F)F)CCCC[NH2+]1 ZINC000621670969 370421739 /nfs/dbraw/zinc/42/17/39/370421739.db2.gz DSPVGSUHDDBHNN-KOLCDFICSA-N 1 0 246.301 1.680 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC1(F)F ZINC000621671577 370423281 /nfs/dbraw/zinc/42/32/81/370423281.db2.gz XVSFXANIFFGDMS-HTQZYQBOSA-N 1 0 220.263 1.275 10 0 BDAERO CC1CC(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000621672601 370424665 /nfs/dbraw/zinc/42/46/65/370424665.db2.gz LUJDGNCRZYPETR-MMVSWEMESA-N 1 0 224.348 1.666 10 0 BDAERO Cc1nc(C)c(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)o1 ZINC000311773823 370432739 /nfs/dbraw/zinc/43/27/39/370432739.db2.gz HSQBBCRYFIXDTL-ZJUUUORDSA-N 1 0 237.303 1.035 10 0 BDAERO OCCc1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000215287859 370417737 /nfs/dbraw/zinc/41/77/37/370417737.db2.gz MFCFDTGTIWLARI-CYBMUJFWSA-N 1 0 205.301 1.688 10 0 BDAERO [NH3+]Cc1nccn1-c1cccc(Cl)c1 ZINC000071510922 181501979 /nfs/dbraw/zinc/50/19/79/181501979.db2.gz VZQJQNRGECDARB-UHFFFAOYSA-N 1 0 207.664 1.984 10 0 BDAERO Cc1cc(C)cc(CC(=O)C2C[NH2+]C2)c1 ZINC000226535509 370545002 /nfs/dbraw/zinc/54/50/02/370545002.db2.gz DMEXBVIBPMDMPT-UHFFFAOYSA-N 1 0 203.285 1.634 10 0 BDAERO CC1=[N+]([O-])C(C)(C)[N+](O)=C1c1ccc(C)cc1 ZINC000225402888 370548437 /nfs/dbraw/zinc/54/84/37/370548437.db2.gz AQVXGMMFYZSCKN-UHFFFAOYSA-N 1 0 234.299 1.798 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000070159354 371011050 /nfs/dbraw/zinc/01/10/50/371011050.db2.gz FWFFYQWHKDFZSP-BDAKNGLRSA-N 1 0 212.318 1.536 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000623763855 371085960 /nfs/dbraw/zinc/08/59/60/371085960.db2.gz SNZSFWZPKACZEX-NWDGAFQWSA-N 1 0 243.253 1.204 10 0 BDAERO c1snnc1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328652632 371135593 /nfs/dbraw/zinc/13/55/93/371135593.db2.gz WNVCNRZZSAICBX-SECBINFHSA-N 1 0 238.360 1.255 10 0 BDAERO O=C1CCCCC[C@H]1[N@@H+]1CC[C@@H](CO)C1 ZINC000226459937 371107125 /nfs/dbraw/zinc/10/71/25/371107125.db2.gz HOSDTKPUOZHNQY-GHMZBOCLSA-N 1 0 211.305 1.202 10 0 BDAERO CCN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000019771207 371187701 /nfs/dbraw/zinc/18/77/01/371187701.db2.gz XUMYDYMEIPNOFK-ZDUSSCGKSA-N 1 0 226.364 1.318 10 0 BDAERO CCCCN(C)C(=O)[C@@H](CCC)[NH+](C)C ZINC000159320951 326397409 /nfs/dbraw/zinc/39/74/09/326397409.db2.gz NPMYTIXXFQWGHV-LLVKDONJSA-N 1 0 214.353 1.975 10 0 BDAERO [NH3+][C@@H]1CCC(=O)N[C@H]1c1ccc(F)cc1 ZINC000057495256 181571384 /nfs/dbraw/zinc/57/13/84/181571384.db2.gz YHRVOXBWXVRYCT-KOLCDFICSA-N 1 0 208.236 1.104 10 0 BDAERO [NH3+][C@@H]1CCN(c2nsc3ccccc32)C1 ZINC000095072110 181589609 /nfs/dbraw/zinc/58/96/09/181589609.db2.gz XRIAQBTWWJWAGO-MRVPVSSYSA-N 1 0 219.313 1.834 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@H]1CCCCO1 ZINC000624014383 371250586 /nfs/dbraw/zinc/25/05/86/371250586.db2.gz YJODFZPJBSXZHO-QJPTWQEYSA-N 1 0 240.347 1.012 10 0 BDAERO [NH3+][C@@H](Cc1cc[nH]n1)Cc1ccccc1 ZINC000054685356 181625754 /nfs/dbraw/zinc/62/57/54/181625754.db2.gz XYCZYCQOPNRNQY-LLVKDONJSA-N 1 0 201.273 1.522 10 0 BDAERO [NH3+][C@@H]1C[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000037674950 181599422 /nfs/dbraw/zinc/59/94/22/181599422.db2.gz MFUZJFQRZIFLRS-NXEZZACHSA-N 1 0 205.257 1.663 10 0 BDAERO [NH3+][C@H]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000040442959 181654736 /nfs/dbraw/zinc/65/47/36/181654736.db2.gz FBSXVEIMFJUCMQ-JTQLQIEISA-N 1 0 213.284 1.893 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccccn1 ZINC000038049289 181641467 /nfs/dbraw/zinc/64/14/67/181641467.db2.gz BCQBMWKWNOIPSE-UWVGGRQHSA-N 1 0 219.288 1.081 10 0 BDAERO C[NH+](C)C[C@H](NCc1cn[nH]c1)c1ccccc1 ZINC000624212245 371399447 /nfs/dbraw/zinc/39/94/47/371399447.db2.gz YJSNBMUGRKHGKU-AWEZNQCLSA-N 1 0 244.342 1.802 10 0 BDAERO Nc1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000072236838 181695603 /nfs/dbraw/zinc/69/56/03/181695603.db2.gz AARGFOLFZNOMLL-UHFFFAOYSA-N 1 0 243.314 1.521 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCOC[C@H]1O ZINC000624237966 371426009 /nfs/dbraw/zinc/42/60/09/371426009.db2.gz HZIKUTIQNQNUTL-NOOOWODRSA-N 1 0 227.348 1.551 10 0 BDAERO Cc1ccoc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000126708848 371543983 /nfs/dbraw/zinc/54/39/83/371543983.db2.gz GQFHQDCTWSMPCH-QWRGUYRKSA-N 1 0 209.289 1.981 10 0 BDAERO CC(C)[C@](O)(C[NH3+])C(F)(F)Br ZINC000225661715 371564029 /nfs/dbraw/zinc/56/40/29/371564029.db2.gz JAORIUIVPSNWLK-RXMQYKEDSA-N 1 0 232.068 1.320 10 0 BDAERO C[NH2+]C[C@H]1CCCO[C@@H]1c1nccs1 ZINC000161820634 371566329 /nfs/dbraw/zinc/56/63/29/371566329.db2.gz BOZLIBAIDQXFEK-BDAKNGLRSA-N 1 0 212.318 1.830 10 0 BDAERO CCCN1C(=[NH2+])NC[C@H]1c1cncs1 ZINC000161835608 371570973 /nfs/dbraw/zinc/57/09/73/371570973.db2.gz KMPPJESDTUFGNG-ZETCQYMHSA-N 1 0 210.306 1.225 10 0 BDAERO CN(C)C(=O)O[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000131752345 371666003 /nfs/dbraw/zinc/66/60/03/371666003.db2.gz VTCDIFWFCFEEFM-DTWKUNHWSA-N 1 0 200.282 1.345 10 0 BDAERO [NH3+][C@@H]1CCCCC[C@@H]1Oc1nncs1 ZINC000131565524 371625321 /nfs/dbraw/zinc/62/53/21/371625321.db2.gz ILLBSZRWESEOJY-SFYZADRCSA-N 1 0 213.306 1.577 10 0 BDAERO C[C@H]1C[NH+]=C(NCc2cncs2)S1 ZINC000131654319 371641907 /nfs/dbraw/zinc/64/19/07/371641907.db2.gz BRRUNPXZNLWUPR-LURJTMIESA-N 1 0 213.331 1.724 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1Oc1ccc(Cl)nn1 ZINC000131671916 371646427 /nfs/dbraw/zinc/64/64/27/371646427.db2.gz NJGQCJNJRPGUJR-BQBZGAKWSA-N 1 0 213.668 1.389 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)c1cccc(F)c1 ZINC000226377446 371657124 /nfs/dbraw/zinc/65/71/24/371657124.db2.gz BPUYESSKDPNKAG-KWQFWETISA-N 1 0 207.248 1.864 10 0 BDAERO CO[C@H]1C[NH2+][C@H](CN(C)Cc2ccccc2)C1 ZINC000226694902 371726278 /nfs/dbraw/zinc/72/62/78/371726278.db2.gz YKQKTSLSFMUPBD-UONOGXRCSA-N 1 0 234.343 1.495 10 0 BDAERO [NH3+]Cc1c[nH]nc1-c1ccc(Br)o1 ZINC000131871361 371699703 /nfs/dbraw/zinc/69/97/03/371699703.db2.gz FMGAJTLFHXEYMR-UHFFFAOYSA-N 1 0 242.076 1.891 10 0 BDAERO [NH3+]Cc1cc(C(=O)C2CCCC2)ccn1 ZINC000226800361 371745922 /nfs/dbraw/zinc/74/59/22/371745922.db2.gz VRRYLNNUUNZIDJ-UHFFFAOYSA-N 1 0 204.273 1.913 10 0 BDAERO Cn1ccnc1C(=O)[C@]1(C)CCC[C@H]1[NH3+] ZINC000226834452 371750023 /nfs/dbraw/zinc/75/00/23/371750023.db2.gz VNKFPRLLQBEKIC-LDYMZIIASA-N 1 0 207.277 1.120 10 0 BDAERO c1cnc(S[C@@H]2CCCC[NH2+]C2)cn1 ZINC000132170756 371758926 /nfs/dbraw/zinc/75/89/26/371758926.db2.gz CRWMIIUKDBFDPO-SECBINFHSA-N 1 0 209.318 1.711 10 0 BDAERO Cc1nsc(N2CC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000227103750 371785557 /nfs/dbraw/zinc/78/55/57/371785557.db2.gz UUIIJQOQWBXSHA-SVRRBLITSA-N 1 0 212.322 1.020 10 0 BDAERO CC(=O)C(C)(C)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000227284199 371824240 /nfs/dbraw/zinc/82/42/40/371824240.db2.gz CHTIQUOOWQITGD-VHSXEESVSA-N 1 0 213.321 1.711 10 0 BDAERO CC(=O)C(C)(C)C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000227284211 371824887 /nfs/dbraw/zinc/82/48/87/371824887.db2.gz CHTIQUOOWQITGD-UWVGGRQHSA-N 1 0 213.321 1.711 10 0 BDAERO C[C@@H]1C[NH+](C[Si](C)(C)C)C[C@@H](C)N1 ZINC000401849241 371826410 /nfs/dbraw/zinc/82/64/10/371826410.db2.gz KVLUPIWHEDSQPI-NXEZZACHSA-N 1 0 200.402 1.546 10 0 BDAERO COC(=O)[C@H](N)Cc1ccc(C)cc1C ZINC000057494904 371850657 /nfs/dbraw/zinc/85/06/57/371850657.db2.gz KOTSKKYJFZLKQL-LLVKDONJSA-N 1 0 207.273 1.346 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])CN1C(=O)c2ccccc2C1=O ZINC000132627168 371876921 /nfs/dbraw/zinc/87/69/21/371876921.db2.gz AFKGZNXBHIWYDH-BXKDBHETSA-N 1 0 246.310 1.656 10 0 BDAERO C[C@@H]1C[C@@H](N2CCC[C@@H]([NH3+])C2)CS1 ZINC000227511536 371878928 /nfs/dbraw/zinc/87/89/28/371878928.db2.gz BFMCSXHBTZBRTH-OPRDCNLKSA-N 1 0 200.351 1.304 10 0 BDAERO CN[C@@H](C[NH3+])c1ccc(Cl)cc1F ZINC000162992109 371905099 /nfs/dbraw/zinc/90/50/99/371905099.db2.gz FXELIDRMRFZFIK-VIFPVBQESA-N 1 0 202.660 1.698 10 0 BDAERO Cn1nccc1[C@@H]([NH3+])[C@]1(C)CCCS1 ZINC000163018250 371911505 /nfs/dbraw/zinc/91/15/05/371911505.db2.gz PNAKKMQYARHHHH-ZJUUUORDSA-N 1 0 211.334 1.706 10 0 BDAERO Nc1cc(SC2CCOCC2)ccn1 ZINC000227674503 371919459 /nfs/dbraw/zinc/91/94/59/371919459.db2.gz XIJKHJAWISOHEJ-UHFFFAOYSA-N 1 0 210.302 1.935 10 0 BDAERO Cc1nnc(N2C[C@H](C)C[C@@H]([NH3+])C2)s1 ZINC000227691580 371922449 /nfs/dbraw/zinc/92/24/49/371922449.db2.gz BOZIMKROQZAGKS-HTRCEHHLSA-N 1 0 212.322 1.020 10 0 BDAERO [NH2+]=C1NC[C@H](c2sccc2Br)N1 ZINC000228027093 371975999 /nfs/dbraw/zinc/97/59/99/371975999.db2.gz HSNGDKNUNPYLHA-RXMQYKEDSA-N 1 0 246.133 1.470 10 0 BDAERO COC[C@@H](C)[C@H](C[NH3+])NCc1ccccc1 ZINC000163447273 371994923 /nfs/dbraw/zinc/99/49/23/371994923.db2.gz QGHWMRIHVWXVMR-YPMHNXCESA-N 1 0 222.332 1.386 10 0 BDAERO C[C@@H](O)C[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000133304461 372021081 /nfs/dbraw/zinc/02/10/81/372021081.db2.gz XZRBRTTVJMJNIN-DBIOUOCHSA-N 1 0 201.310 1.255 10 0 BDAERO [NH3+]CC(=O)Nc1ccc(F)c(Br)c1 ZINC000133412879 372041302 /nfs/dbraw/zinc/04/13/02/372041302.db2.gz DHNOJIMONGMABC-UHFFFAOYSA-N 1 0 247.067 1.485 10 0 BDAERO Cc1nsc(N2CCC[C@H]2CC[NH3+])n1 ZINC000306870488 372073311 /nfs/dbraw/zinc/07/33/11/372073311.db2.gz VJLARLMOWOMFIQ-QMMMGPOBSA-N 1 0 212.322 1.164 10 0 BDAERO O=C1C[C@H]([NH2+]Cc2cc(Cl)cs2)CN1 ZINC000228987825 372100950 /nfs/dbraw/zinc/10/09/50/372100950.db2.gz HCLPVLPYRQRYCI-ZETCQYMHSA-N 1 0 230.720 1.380 10 0 BDAERO C[NH+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000133937715 372136511 /nfs/dbraw/zinc/13/65/11/372136511.db2.gz ZXKDDRCVCHXAJW-UHFFFAOYSA-N 1 0 248.735 1.049 10 0 BDAERO Cn1cc[nH+]c1NC[C@H]1CSCCS1 ZINC000229620401 372174901 /nfs/dbraw/zinc/17/49/01/372174901.db2.gz KBBUZQXMCHKJOE-QMMMGPOBSA-N 1 0 229.374 1.681 10 0 BDAERO C[N@@H+]1CCSC[C@H]1[C@@H](O)c1ccc[nH]1 ZINC000307473904 372123743 /nfs/dbraw/zinc/12/37/43/372123743.db2.gz WFQDGYOIJSTUDV-UWVGGRQHSA-N 1 0 212.318 1.095 10 0 BDAERO C[C@H]1[NH+]=C(N[C@@H]2CCOC2)SC[C@H]1C ZINC000229753772 372190937 /nfs/dbraw/zinc/19/09/37/372190937.db2.gz NJTLGDVZMDCALQ-IWSPIJDZSA-N 1 0 214.334 1.492 10 0 BDAERO [NH3+][C@H]1CCCN(C2(C(F)(F)F)CC2)C1 ZINC000229755455 372191529 /nfs/dbraw/zinc/19/15/29/372191529.db2.gz ZRCLYXAPULIROR-ZETCQYMHSA-N 1 0 208.227 1.504 10 0 BDAERO C[N@@H+]1CCC[C@@](O)(Cc2nccs2)C1 ZINC000134341803 372198781 /nfs/dbraw/zinc/19/87/81/372198781.db2.gz XARLPSCEQWGTHI-SNVBAGLBSA-N 1 0 212.318 1.142 10 0 BDAERO CC[N@@H+]1CCC[C@H](c2ccccc2C(N)=O)C1 ZINC000139948458 372296767 /nfs/dbraw/zinc/29/67/67/372296767.db2.gz HGSMQKKDZBWREG-NSHDSACASA-N 1 0 232.327 1.985 10 0 BDAERO CC(C)n1ccnc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838784 372634025 /nfs/dbraw/zinc/63/40/25/372634025.db2.gz VAUWYSWWOGAPOS-RYUDHWBXSA-N 1 0 236.363 1.491 10 0 BDAERO Cc1cnc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000631838845 372634743 /nfs/dbraw/zinc/63/47/43/372634743.db2.gz WCNDVOCWRVKTLT-SCZZXKLOSA-N 1 0 209.293 1.010 10 0 BDAERO CC(C)c1nc(CN2C[C@H](C)[C@H](C[NH3+])C2)no1 ZINC000631839416 372637003 /nfs/dbraw/zinc/63/70/03/372637003.db2.gz GCBVNUFOYVXLDC-VHSXEESVSA-N 1 0 238.335 1.220 10 0 BDAERO CC(C)n1ccnc1CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631860781 372659163 /nfs/dbraw/zinc/65/91/63/372659163.db2.gz OYMAQGCXUPCANP-QWRGUYRKSA-N 1 0 222.336 1.386 10 0 BDAERO CCCc1nc(CN2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631841605 372638932 /nfs/dbraw/zinc/63/89/32/372638932.db2.gz MZIGHJLPTMQYSB-UWVGGRQHSA-N 1 0 238.335 1.049 10 0 BDAERO C[C@H]1CN(C(=O)N2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000631966242 372705859 /nfs/dbraw/zinc/70/58/59/372705859.db2.gz OOVDCDCKFDZZHF-RYUDHWBXSA-N 1 0 239.363 1.365 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](CC3CCOCC3)C2)cn1 ZINC000172054274 372861789 /nfs/dbraw/zinc/86/17/89/372861789.db2.gz SACJVIASRODOFJ-ZDUSSCGKSA-N 1 0 249.358 1.636 10 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CCN1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000040502093 373360280 /nfs/dbraw/zinc/36/02/80/373360280.db2.gz IUVIJSSMTMZGGD-NSHDSACASA-N 1 0 208.305 1.854 10 0 BDAERO COCC1CC[NH+]([C@@H]2CCCC2=O)CC1 ZINC000069631940 373556597 /nfs/dbraw/zinc/55/65/97/373556597.db2.gz JTOSWQZKZJTUQQ-LLVKDONJSA-N 1 0 211.305 1.466 10 0 BDAERO CC(C)([C@H]([NH3+])c1cccs1)S(C)(=O)=O ZINC000069693404 373605033 /nfs/dbraw/zinc/60/50/33/373605033.db2.gz QKHYFUDHGKOFEZ-MRVPVSSYSA-N 1 0 233.358 1.571 10 0 BDAERO CCN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000069798194 373807302 /nfs/dbraw/zinc/80/73/02/373807302.db2.gz OJCKSESWNFRARO-PSASIEDQSA-N 1 0 210.302 1.369 10 0 BDAERO O=C(NCCc1ccco1)[C@H]1CCCC[NH2+]1 ZINC000035661805 182207258 /nfs/dbraw/zinc/20/72/58/182207258.db2.gz HVZMRNVAQULTNZ-LLVKDONJSA-N 1 0 222.288 1.080 10 0 BDAERO O=C(NC[C@@H]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000045630991 182223287 /nfs/dbraw/zinc/22/32/87/182223287.db2.gz PHRNRWCQSSDQED-NEPJUHHUSA-N 1 0 222.332 1.601 10 0 BDAERO CCCCNC(=O)[C@@H](C)[NH2+]CCCC ZINC000034938698 168854849 /nfs/dbraw/zinc/85/48/49/168854849.db2.gz BNONRQHGRKJQPI-SNVBAGLBSA-N 1 0 200.326 1.681 10 0 BDAERO C[C@@H]([NH3+])Cc1noc([C@H]2CCCS2)n1 ZINC000070005055 374109776 /nfs/dbraw/zinc/10/97/76/374109776.db2.gz KQPHNBPMGKYDPF-RNFRBKRXSA-N 1 0 213.306 1.527 10 0 BDAERO [NH3+][C@H](CC(=O)NC1CC1)c1ccc2c(c1)OCO2 ZINC000041300574 374131407 /nfs/dbraw/zinc/13/14/07/374131407.db2.gz IPYCHSHIQHDVFH-SNVBAGLBSA-N 1 0 248.282 1.084 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000041064637 374104575 /nfs/dbraw/zinc/10/45/75/374104575.db2.gz ILZVDZXGAFHHND-NEPJUHHUSA-N 1 0 244.294 1.553 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246016235 374142182 /nfs/dbraw/zinc/14/21/82/374142182.db2.gz MGUNVSFIGKQLMA-SDDRHHMPSA-N 1 0 241.379 1.767 10 0 BDAERO Nc1ncc(Cl)cc1[C@H]1CC[C@H]([NH3+])C1 ZINC000070636619 374167634 /nfs/dbraw/zinc/16/76/34/374167634.db2.gz QSZPRVJVEFIYFJ-XPUUQOCRSA-N 1 0 211.696 1.912 10 0 BDAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1C[C@@H]1C ZINC000246122238 374169273 /nfs/dbraw/zinc/16/92/73/374169273.db2.gz NQNACQIPGHKNAQ-TUAOUCFPSA-N 1 0 239.363 1.568 10 0 BDAERO [NH3+][C@@H](c1ncc(Br)cn1)C1CC1 ZINC000070948453 374229944 /nfs/dbraw/zinc/22/99/44/374229944.db2.gz VKMVWTCBCHSHKY-SSDOTTSWSA-N 1 0 228.093 1.649 10 0 BDAERO O=C(NCc1ccc(O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000082280830 182251833 /nfs/dbraw/zinc/25/18/33/182251833.db2.gz TXBBIYYCMIMJBA-LLVKDONJSA-N 1 0 234.299 1.008 10 0 BDAERO CC(C)[C@H]([NH3+])c1ncc(Br)cn1 ZINC000070948203 374234260 /nfs/dbraw/zinc/23/42/60/374234260.db2.gz CLNIBCLDNFGZCM-ZETCQYMHSA-N 1 0 230.109 1.895 10 0 BDAERO Brc1cnc(C2CC[NH2+]CC2)nc1 ZINC000070946958 374234317 /nfs/dbraw/zinc/23/43/17/374234317.db2.gz QMBBVRKIUUMGJB-UHFFFAOYSA-N 1 0 242.120 1.706 10 0 BDAERO O=C(N[C@@H]1CC=CCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246707085 374289643 /nfs/dbraw/zinc/28/96/43/374289643.db2.gz GNSLXSGYROZZQU-OLZOCXBDSA-N 1 0 249.358 1.585 10 0 BDAERO CCCCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019440183 168859404 /nfs/dbraw/zinc/85/94/04/168859404.db2.gz VEUCJABVLNYIJW-GRYCIOLGSA-N 1 0 224.348 1.823 10 0 BDAERO O=C(Nc1cnoc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000061684871 182396231 /nfs/dbraw/zinc/39/62/31/182396231.db2.gz SAHFCRDVMPEWBX-LSJOCFKGSA-N 1 0 235.287 1.534 10 0 BDAERO O=C(Nc1cnoc1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000061684874 182396617 /nfs/dbraw/zinc/39/66/17/182396617.db2.gz SAHFCRDVMPEWBX-DVVUODLYSA-N 1 0 235.287 1.534 10 0 BDAERO O=C(c1cccc(F)c1)N1CC2(C1)CC[NH2+]CC2 ZINC000096268217 182671791 /nfs/dbraw/zinc/67/17/91/182671791.db2.gz SIYJEWRFQILORH-UHFFFAOYSA-N 1 0 248.301 1.651 10 0 BDAERO O=C1N(Cc2ccccc2)CCN1[C@H]1CC[NH2+]C1 ZINC000096984197 182789463 /nfs/dbraw/zinc/78/94/63/182789463.db2.gz UNTIKAQJGRTHJZ-ZDUSSCGKSA-N 1 0 245.326 1.286 10 0 BDAERO CCCCOCCn1nc(C)c(CC[NH3+])c1C ZINC000054740987 168906417 /nfs/dbraw/zinc/90/64/17/168906417.db2.gz HNOFRXOWZFIERI-UHFFFAOYSA-N 1 0 239.363 1.818 10 0 BDAERO CCOCC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916079 170340483 /nfs/dbraw/zinc/34/04/83/170340483.db2.gz RUZZYRMWFUMNKJ-LBPRGKRZSA-N 1 0 240.347 1.014 10 0 BDAERO CCOCC[N@H+](CC)C[C@@H](C)C(N)=S ZINC000042444146 170395423 /nfs/dbraw/zinc/39/54/23/170395423.db2.gz NDEBIBRMQALNCU-SECBINFHSA-N 1 0 218.366 1.267 10 0 BDAERO O=c1ccc(C(F)(F)F)cn1C[C@H]1CCC[NH2+]1 ZINC000071212033 183000048 /nfs/dbraw/zinc/00/00/48/183000048.db2.gz ZEMNJQVYBDZZCL-SECBINFHSA-N 1 0 246.232 1.619 10 0 BDAERO OC1(C[NH2+]C[C@H]2CCOC2)CCCCC1 ZINC000038094562 183019823 /nfs/dbraw/zinc/01/98/23/183019823.db2.gz NAOUGLOIOFIUMR-LLVKDONJSA-N 1 0 213.321 1.308 10 0 BDAERO OC1(C[NH2+]C[C@H]2CCCO2)CCCCCC1 ZINC000037855940 183020158 /nfs/dbraw/zinc/02/01/58/183020158.db2.gz KEDDPMIYAKHINW-GFCCVEGCSA-N 1 0 227.348 1.840 10 0 BDAERO OC1(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000034408710 183021229 /nfs/dbraw/zinc/02/12/29/183021229.db2.gz UDLVJBVNERKCMW-LBPRGKRZSA-N 1 0 203.285 1.788 10 0 BDAERO OCC1([NH2+]Cc2ccncn2)CCCCC1 ZINC000054789938 183038808 /nfs/dbraw/zinc/03/88/08/183038808.db2.gz DVICWAUVKYORCE-UHFFFAOYSA-N 1 0 221.304 1.261 10 0 BDAERO OCC1(Nc2ccc(F)cc2)CC[NH2+]CC1 ZINC000040695504 183039824 /nfs/dbraw/zinc/03/98/24/183039824.db2.gz TYWMHUUTJGEGJV-UHFFFAOYSA-N 1 0 224.279 1.352 10 0 BDAERO OCCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336649056 183053170 /nfs/dbraw/zinc/05/31/70/183053170.db2.gz HINGOTSQAAOZAL-QWRGUYRKSA-N 1 0 203.301 1.877 10 0 BDAERO OCCC[NH2+]Cc1nc2ccccc2s1 ZINC000037977645 183059107 /nfs/dbraw/zinc/05/91/07/183059107.db2.gz VKAROLKSJWIAOJ-UHFFFAOYSA-N 1 0 222.313 1.768 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000063224175 183063304 /nfs/dbraw/zinc/06/33/04/183063304.db2.gz ZKOHAKIAGFAHQJ-AWEZNQCLSA-N 1 0 234.343 1.861 10 0 BDAERO CCCC[C@H](C[NH3+])N(CCCOC)CCOC ZINC000042420825 169002672 /nfs/dbraw/zinc/00/26/72/169002672.db2.gz QTHLCJCITXOCSI-CYBMUJFWSA-N 1 0 246.395 1.489 10 0 BDAERO CCCC[C@H]([NH3+])C(=O)N(CCO)C(CC)CC ZINC000042526146 169006238 /nfs/dbraw/zinc/00/62/38/169006238.db2.gz IFANCQFUFFXUQA-LBPRGKRZSA-N 1 0 244.379 1.513 10 0 BDAERO OC[C@@H]1CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000085576535 183119617 /nfs/dbraw/zinc/11/96/17/183119617.db2.gz RGADUQARIRPOHW-OLZOCXBDSA-N 1 0 217.312 1.783 10 0 BDAERO OCC[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000309642945 183099017 /nfs/dbraw/zinc/09/90/17/183099017.db2.gz PDZQQPAPNBZLPT-CYBMUJFWSA-N 1 0 227.348 1.507 10 0 BDAERO OCCn1c2ccccc2nc1C1CC[NH2+]CC1 ZINC000037900707 183101647 /nfs/dbraw/zinc/10/16/47/183101647.db2.gz IBRFUYVONMVYOR-UHFFFAOYSA-N 1 0 245.326 1.496 10 0 BDAERO OC[C@@]1(O)CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000313688019 183135537 /nfs/dbraw/zinc/13/55/37/183135537.db2.gz SBDZRYTTYPXCBO-UKRRQHHQSA-N 1 0 247.338 1.146 10 0 BDAERO OC[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000063000777 183142161 /nfs/dbraw/zinc/14/21/61/183142161.db2.gz JFCWKJAMTPVBBV-STQMWFEESA-N 1 0 220.316 1.062 10 0 BDAERO CCCCc1nnc2sc(CC[NH3+])nn12 ZINC000020391833 169029496 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/nfs/dbraw/zinc/14/53/60/183145360.db2.gz IKNCLLOBJQVKNP-CHWSQXEVSA-N 1 0 205.301 1.905 10 0 in-vivo BDAERO O[C@@H](C[NH2+]C1CC1)Cc1ccccc1Cl ZINC000071532624 183177268 /nfs/dbraw/zinc/17/72/68/183177268.db2.gz WPKDEVGTMNYGPH-LLVKDONJSA-N 1 0 225.719 1.995 10 0 BDAERO O[C@@H](c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000036158966 183184356 /nfs/dbraw/zinc/18/43/56/183184356.db2.gz SRKNLOOZDMHLSC-MNOVXSKESA-N 1 0 213.227 1.750 10 0 BDAERO OCc1cccc(CC2CC[NH2+]CC2)c1 ZINC000238694151 183167317 /nfs/dbraw/zinc/16/73/17/183167317.db2.gz VTEMQOHJPBLMJH-UHFFFAOYSA-N 1 0 205.301 1.721 10 0 BDAERO O[C@@H](c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000036161906 183185002 /nfs/dbraw/zinc/18/50/02/183185002.db2.gz NWCRQXSXIVIEKE-SKDRFNHKSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@@H]1CCC[C@H]1C[NH2+]CC1=CCCOC1 ZINC000124786014 183196934 /nfs/dbraw/zinc/19/69/34/183196934.db2.gz KJIOXBPMGTWXQP-NWDGAFQWSA-N 1 0 211.305 1.084 10 0 BDAERO O[C@@H]1C[NH2+]C[C@H]1Sc1ncnc2ccccc21 ZINC000104237275 183208524 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/nfs/dbraw/zinc/23/10/98/183231098.db2.gz JGYQTTVMRWPTOV-KGLIPLIRSA-N 1 0 234.343 1.907 10 0 BDAERO O[C@H](C[NH2+]C1CC1)c1cc(F)c(F)c(F)c1 ZINC000062721136 183222861 /nfs/dbraw/zinc/22/28/61/183222861.db2.gz VKYKZFFSHWLMJM-SNVBAGLBSA-N 1 0 231.217 1.889 10 0 BDAERO O[C@H](C[NH2+]C1COC1)c1ccc(Cl)cc1 ZINC000087195290 183223146 /nfs/dbraw/zinc/22/31/46/183223146.db2.gz OFJYLHURFIRQHT-LLVKDONJSA-N 1 0 227.691 1.362 10 0 BDAERO CCC[N@H+](C)[C@@]1(CN)CCCSC1 ZINC000061590012 169086951 /nfs/dbraw/zinc/08/69/51/169086951.db2.gz SIINHYPRSBIPLQ-SNVBAGLBSA-N 1 0 202.367 1.553 10 0 BDAERO O[C@H](c1ccc2c(c1)CCCO2)[C@H]1CCC[NH2+]1 ZINC000062616213 183229528 /nfs/dbraw/zinc/22/95/28/183229528.db2.gz SGENDCZPCFUBEF-TZMCWYRMSA-N 1 0 233.311 1.797 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000037871597 183231632 /nfs/dbraw/zinc/23/16/32/183231632.db2.gz JJMDFHJZSAMOSW-STQMWFEESA-N 1 0 220.316 1.517 10 0 BDAERO O[C@H]1CCC[C@H]1N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190431 183238207 /nfs/dbraw/zinc/23/82/07/183238207.db2.gz PHBBOHJIABISIM-DGAVXFQQSA-N 1 0 238.375 1.506 10 0 BDAERO O[C@H]1CC[NH2+][C@@H]1c1ccc(Br)cc1 ZINC000096987596 183241236 /nfs/dbraw/zinc/24/12/36/183241236.db2.gz OZIKCIQMGZHCET-VHSXEESVSA-N 1 0 242.116 1.844 10 0 BDAERO O[C@H]1COC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000053156017 183246753 /nfs/dbraw/zinc/24/67/53/183246753.db2.gz KJLCNKRIOMSYHB-MNOVXSKESA-N 1 0 227.691 1.189 10 0 BDAERO O[C@H]1c2ccccc2C[C@H]1[NH+]1CCCC1 ZINC000044115342 183250415 /nfs/dbraw/zinc/25/04/15/183250415.db2.gz ISMATWVWTRGZDQ-OLZOCXBDSA-N 1 0 203.285 1.741 10 0 BDAERO O[C@]1(C[NH2+][C@H]2CCC[C@H]2CCF)CCSC1 ZINC000336685877 183251717 /nfs/dbraw/zinc/25/17/17/183251717.db2.gz SPLAUIFCEYQTJM-SRVKXCTJSA-N 1 0 247.379 1.972 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H]1CCCCO1 ZINC000042813071 183281525 /nfs/dbraw/zinc/28/15/25/183281525.db2.gz RGEPIXSMSNNMMU-YPMHNXCESA-N 1 0 249.310 1.984 10 0 BDAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C[C@H]1CCOC1 ZINC000037738234 183281635 /nfs/dbraw/zinc/28/16/35/183281635.db2.gz HHRODUJGXNGAGH-BXKDBHETSA-N 1 0 235.283 1.452 10 0 BDAERO CCCN(CC1CC1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129117374 169134670 /nfs/dbraw/zinc/13/46/70/169134670.db2.gz ASUVDXWJIUNHOJ-JTQLQIEISA-N 1 0 224.348 1.491 10 0 BDAERO CCCN(CCC)[C@H](C[NH3+])c1cnn(C)c1 ZINC000020075351 169152797 /nfs/dbraw/zinc/15/27/97/169152797.db2.gz PULQOSFGNBTXSK-GFCCVEGCSA-N 1 0 224.352 1.542 10 0 BDAERO CCC[NH+](CCC)CC[C@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062442181 169146647 /nfs/dbraw/zinc/14/66/47/169146647.db2.gz GNQNBTOHTKIBMJ-LBPRGKRZSA-N 1 0 242.363 1.704 10 0 BDAERO CCC[NH+](CCC)[C@H](CN)[C@@H]1CCOC1 ZINC000022222536 169153015 /nfs/dbraw/zinc/15/30/15/169153015.db2.gz MAVMBZITIPSSLZ-VXGBXAGGSA-N 1 0 214.353 1.472 10 0 BDAERO Oc1cccc(C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000019947904 183290966 /nfs/dbraw/zinc/29/09/66/183290966.db2.gz XLEITCZQGSYQAY-CQSZACIVSA-N 1 0 232.327 1.576 10 0 BDAERO CCCN(CC[NH3+])Cc1ccccc1OC ZINC000032014350 169157700 /nfs/dbraw/zinc/15/77/00/169157700.db2.gz KTJUQYZHVYUUAP-UHFFFAOYSA-N 1 0 222.332 1.866 10 0 BDAERO CCCN(CC[NH3+])S(=O)(=O)CCC(C)C ZINC000082628944 169157900 /nfs/dbraw/zinc/15/79/00/169157900.db2.gz WTVFTAFBXLSCTR-UHFFFAOYSA-N 1 0 236.381 1.033 10 0 BDAERO CCCN(CC[NH3+])C(=O)c1ccc2c(c1)CCO2 ZINC000050891894 169158169 /nfs/dbraw/zinc/15/81/69/169158169.db2.gz HSBMMYSSEHDQJU-UHFFFAOYSA-N 1 0 248.326 1.432 10 0 BDAERO CCCN(CCc1ccccc1)C(=O)C[NH3+] ZINC000076610378 169170613 /nfs/dbraw/zinc/17/06/13/169170613.db2.gz MUUQXVWSGUZDOX-UHFFFAOYSA-N 1 0 220.316 1.426 10 0 BDAERO CCCN(c1cccnn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052831556 169182693 /nfs/dbraw/zinc/18/26/93/169182693.db2.gz YYOFLEDAGNEYCT-FUNVUKJBSA-N 1 0 246.358 1.976 10 0 BDAERO c1c2[nH]c3c(c2cc2c1OCO2)C[NH2+]CC3 ZINC000082595886 183323774 /nfs/dbraw/zinc/32/37/74/183323774.db2.gz LMJSPWHFFODEAF-UHFFFAOYSA-N 1 0 216.240 1.542 10 0 BDAERO c1c[nH]c([C@H](C2CCC2)N2CC[NH2+]CC2)c1 ZINC000076609714 183327598 /nfs/dbraw/zinc/32/75/98/183327598.db2.gz AJXHYCRBVQALJG-ZDUSSCGKSA-N 1 0 219.332 1.761 10 0 BDAERO c1cn(Cc2nc(-c3ccncc3)n[nH]2)cn1 ZINC000040176247 183330545 /nfs/dbraw/zinc/33/05/45/183330545.db2.gz DVORDJLIRJHTGU-UHFFFAOYSA-N 1 0 226.243 1.112 10 0 BDAERO CCC[N@@H+]1CCN(CCOCC)[C@H](CC)C1 ZINC000105838212 169203458 /nfs/dbraw/zinc/20/34/58/169203458.db2.gz WSWZYFZMJXXPJF-CYBMUJFWSA-N 1 0 228.380 1.829 10 0 BDAERO CCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000105826934 169203537 /nfs/dbraw/zinc/20/35/37/169203537.db2.gz NSGAEBYENILFDU-VXGBXAGGSA-N 1 0 214.353 1.173 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000057524372 169232466 /nfs/dbraw/zinc/23/24/66/169232466.db2.gz WWBGCOJEIYVWRJ-ZDUSSCGKSA-N 1 0 234.343 1.954 10 0 BDAERO c1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)ncn1 ZINC000054789582 183352467 /nfs/dbraw/zinc/35/24/67/183352467.db2.gz DRIKNCVKQAFNRB-LLVKDONJSA-N 1 0 232.331 1.051 10 0 BDAERO c1cc(Cc2nc([C@@H]3CCC[NH2+]3)no2)ccn1 ZINC000071396596 183354391 /nfs/dbraw/zinc/35/43/91/183354391.db2.gz MIWNCZXLOBJFBG-JTQLQIEISA-N 1 0 230.271 1.480 10 0 BDAERO c1cc(COCCC2CC[NH2+]CC2)ccn1 ZINC000095092509 183354930 /nfs/dbraw/zinc/35/49/30/183354930.db2.gz GBTCFFOKCZECAG-UHFFFAOYSA-N 1 0 220.316 1.988 10 0 BDAERO c1cc(COC[C@@H]2C[C@H]3[NH2+]CCO[C@@H]3C2)ccn1 ZINC000096250768 183354975 /nfs/dbraw/zinc/35/49/75/183354975.db2.gz PMPJHQZWFRVODE-MGPQQGTHSA-N 1 0 248.326 1.365 10 0 BDAERO c1cc(CSC[C@@H]2CC[NH2+]C2)ccn1 ZINC000095092760 183355066 /nfs/dbraw/zinc/35/50/66/183355066.db2.gz URBMULWLPOABHG-LLVKDONJSA-N 1 0 208.330 1.924 10 0 BDAERO c1cn2c(cccc2OC2CC[NH2+]CC2)n1 ZINC000089201240 183358877 /nfs/dbraw/zinc/35/88/77/183358877.db2.gz UWNVSEWUIQUQRZ-UHFFFAOYSA-N 1 0 217.272 1.465 10 0 BDAERO c1cc(OCC[C@@H]2CCCC[NH2+]2)ccn1 ZINC000051870849 183359021 /nfs/dbraw/zinc/35/90/21/183359021.db2.gz BYZRQPRIAHLWLS-NSHDSACASA-N 1 0 206.289 1.993 10 0 BDAERO c1cc(C2CC2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000070951569 183334004 /nfs/dbraw/zinc/33/40/04/183334004.db2.gz QYKVBYQSNNEGRI-JTQLQIEISA-N 1 0 203.289 1.821 10 0 BDAERO CCC[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000020056566 169255838 /nfs/dbraw/zinc/25/58/38/169255838.db2.gz YBZJKDWZKLWEFT-UHFFFAOYSA-N 1 0 210.252 1.764 10 0 BDAERO c1cc2c(cc1CC[C@@H]1COCC[NH2+]1)OCCO2 ZINC000071564159 183367560 /nfs/dbraw/zinc/36/75/60/183367560.db2.gz QKHCUUAQMYNCFW-GFCCVEGCSA-N 1 0 249.310 1.379 10 0 BDAERO CCC[NH2+]CCNc1nccn(CCC)c1=O ZINC000061768443 169260111 /nfs/dbraw/zinc/26/01/11/169260111.db2.gz KIVUUFDKXFNUQJ-UHFFFAOYSA-N 1 0 238.335 1.065 10 0 BDAERO c1cc(NC[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000041262993 183369224 /nfs/dbraw/zinc/36/92/24/183369224.db2.gz BGKGSRNBLJGRII-JTQLQIEISA-N 1 0 234.299 1.827 10 0 BDAERO CCC[NH2+]CCO[C@@H](C)C(=O)NCCC(C)C ZINC000051844693 169260536 /nfs/dbraw/zinc/26/05/36/169260536.db2.gz COGZOQAXHUJSQZ-LBPRGKRZSA-N 1 0 244.379 1.553 10 0 BDAERO CCC[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000058014781 169260615 /nfs/dbraw/zinc/26/06/15/169260615.db2.gz IFFJZHIHFZNIEN-UHFFFAOYSA-N 1 0 227.329 1.460 10 0 BDAERO c1cc(C[C@@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000057493090 183369415 /nfs/dbraw/zinc/36/94/15/183369415.db2.gz IRWQJDYJIAIJSC-JTQLQIEISA-N 1 0 205.257 1.710 10 0 BDAERO CCC[NH2+]C[C@@H](C)N(CCOC)[C@@H](C)COC ZINC000052572266 169261610 /nfs/dbraw/zinc/26/16/10/169261610.db2.gz HLVXHVKULKAFAF-OLZOCXBDSA-N 1 0 246.395 1.358 10 0 BDAERO c1cc(OC[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000019843683 183370351 /nfs/dbraw/zinc/37/03/51/183370351.db2.gz OQLZTHULURQAQC-SNVBAGLBSA-N 1 0 235.283 1.794 10 0 BDAERO CCCNC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359104 169234793 /nfs/dbraw/zinc/23/47/93/169234793.db2.gz IVFOCHDDGFIXPB-WDEREUQCSA-N 1 0 225.336 1.322 10 0 BDAERO c1cc([C@H]2C[NH2+]CCO2)cc2c1OCC2 ZINC000082303997 183371619 /nfs/dbraw/zinc/37/16/19/183371619.db2.gz MYPVQXCWUCGSCL-GFCCVEGCSA-N 1 0 205.257 1.282 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccccn1 ZINC000076610638 169243218 /nfs/dbraw/zinc/24/32/18/169243218.db2.gz CFIQXXWQUPJSBJ-JTQLQIEISA-N 1 0 221.304 1.040 10 0 BDAERO CCCNC(=O)[C@H](CC[NH3+])c1cccc(F)c1 ZINC000076620317 169248408 /nfs/dbraw/zinc/24/84/08/169248408.db2.gz YWONMMHDSAAIKE-GFCCVEGCSA-N 1 0 238.306 1.784 10 0 BDAERO CCCNC(=O)[C@H](CC[NH3+])c1cccc(C)c1 ZINC000076616356 169248896 /nfs/dbraw/zinc/24/88/96/169248896.db2.gz KCNHCCXEBBPZAT-CYBMUJFWSA-N 1 0 234.343 1.954 10 0 BDAERO CCC[NH2+][C@H](C)Cc1nc(-c2cnccn2)no1 ZINC000110514210 169286191 /nfs/dbraw/zinc/28/61/91/169286191.db2.gz RNTSNJHCTBPRKD-SECBINFHSA-N 1 0 247.302 1.457 10 0 BDAERO CCC[NH2+]C[C@H](c1ccccc1)n1cncn1 ZINC000052575275 169264697 /nfs/dbraw/zinc/26/46/97/169264697.db2.gz AXMASECUGKNNGI-CYBMUJFWSA-N 1 0 230.315 1.867 10 0 BDAERO CCC[NH2+]C[C@]1(O)CCc2ccccc2C1 ZINC000055028461 169264760 /nfs/dbraw/zinc/26/47/60/169264760.db2.gz PBYUJYHEFZARFE-AWEZNQCLSA-N 1 0 219.328 1.906 10 0 BDAERO c1ccc(CCN2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000113164207 183392117 /nfs/dbraw/zinc/39/21/17/183392117.db2.gz ISEXYODLMLLKIV-CQSZACIVSA-N 1 0 231.343 1.404 10 0 BDAERO CCC[NH2+]Cc1cccc(OCC(=O)NC)c1 ZINC000034816448 169268339 /nfs/dbraw/zinc/26/83/39/169268339.db2.gz XWOJJKANEWOJQN-UHFFFAOYSA-N 1 0 236.315 1.311 10 0 BDAERO CCC[NH2+]Cc1sc(OC)nc1C ZINC000045205484 169270509 /nfs/dbraw/zinc/27/05/09/169270509.db2.gz LKMLMGTZUAJVJT-UHFFFAOYSA-N 1 0 200.307 1.960 10 0 BDAERO CCC[NH2+][C@@H](CC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000062449111 169277809 /nfs/dbraw/zinc/27/78/09/169277809.db2.gz HWAQYTQQQKXBHO-RYUDHWBXSA-N 1 0 244.379 1.806 10 0 BDAERO CCC[NH2+][C@H]1CCCC[C@@H]1CN1CCOCC1 ZINC000026443087 169290572 /nfs/dbraw/zinc/29/05/72/169290572.db2.gz ZJSVJZPVBJHEBN-KGLIPLIRSA-N 1 0 240.391 1.877 10 0 BDAERO CCC[NH2+][C@@H]1CCN(CCc2ccccn2)C1=O ZINC000049648576 169282311 /nfs/dbraw/zinc/28/23/11/169282311.db2.gz KTNXUMXANIKXMF-CYBMUJFWSA-N 1 0 247.342 1.225 10 0 BDAERO CCC[NH2+][C@@H]1CCN([C@H](C)c2cccnc2)C1=O ZINC000049648708 169282898 /nfs/dbraw/zinc/28/28/98/169282898.db2.gz ZZDGKERKHSFKGW-DGCLKSJQSA-N 1 0 247.342 1.743 10 0 BDAERO CCCOCCC(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC000054434598 169309273 /nfs/dbraw/zinc/30/92/73/169309273.db2.gz PXASUYRQPBMABN-LBPRGKRZSA-N 1 0 242.363 1.404 10 0 BDAERO CCCOCCOC[C@H]1CC[C@H](C[NH2+]CC)O1 ZINC000104239415 169309868 /nfs/dbraw/zinc/30/98/68/169309868.db2.gz OHWYFPZEBJYAEP-CHWSQXEVSA-N 1 0 245.363 1.587 10 0 BDAERO CCCOC[C@@H](O)COc1ccc(C[NH3+])cc1 ZINC000035728169 169309991 /nfs/dbraw/zinc/30/99/91/169309991.db2.gz WQSSLECUILVILE-GFCCVEGCSA-N 1 0 239.315 1.312 10 0 BDAERO CCCOCc1noc([C@H]2CCC[C@H]2[NH2+]C)n1 ZINC000104063168 169311002 /nfs/dbraw/zinc/31/10/02/169311002.db2.gz HOSMSQRYVIFLHM-VHSXEESVSA-N 1 0 239.319 1.852 10 0 BDAERO CCCO[C@@H]1COc2ccccc2[C@H]1[NH3+] ZINC000037024973 169311914 /nfs/dbraw/zinc/31/19/14/169311914.db2.gz HTCMEHRGWHVIIT-VXGBXAGGSA-N 1 0 207.273 1.874 10 0 BDAERO CCCO[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000037024969 169312181 /nfs/dbraw/zinc/31/21/81/169312181.db2.gz HTCMEHRGWHVIIT-NEPJUHHUSA-N 1 0 207.273 1.874 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@@H](C)[C@@H]2CCCO2)C1=O ZINC000049648174 169292011 /nfs/dbraw/zinc/29/20/11/169292011.db2.gz GQNDLQFNEWPJAI-SRVKXCTJSA-N 1 0 240.347 1.154 10 0 BDAERO CCCOc1ccc([C@@H]([NH3+])Cn2cncn2)cc1 ZINC000019260436 169321604 /nfs/dbraw/zinc/32/16/04/169321604.db2.gz ZIJGLOLRVAPYLK-ZDUSSCGKSA-N 1 0 246.314 1.767 10 0 BDAERO CCCOc1ccc([C@@](C)(C[NH3+])CO)cc1 ZINC000071531053 169321736 /nfs/dbraw/zinc/32/17/36/169321736.db2.gz MSIGKQULSFYURN-ZDUSSCGKSA-N 1 0 223.316 1.684 10 0 BDAERO c1cnc2c(c1)cccc2CC[NH2+]C1COC1 ZINC000159274396 183484092 /nfs/dbraw/zinc/48/40/92/183484092.db2.gz ZGRNDVDQQLQYTC-UHFFFAOYSA-N 1 0 228.295 1.766 10 0 BDAERO CCC[C@@H](C)[NH2+]CC(=O)N[C@@H](C)CC ZINC000020040477 169369661 /nfs/dbraw/zinc/36/96/61/169369661.db2.gz DZCDNYDFVSWNPE-VHSXEESVSA-N 1 0 200.326 1.679 10 0 BDAERO CCC[C@@H](C(=O)Nc1ncccc1O)[NH+](C)C ZINC000180993077 169346649 /nfs/dbraw/zinc/34/66/49/169346649.db2.gz JSIJSSHIHCVBBH-VIFPVBQESA-N 1 0 237.303 1.456 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccccc1[C@H](C)O ZINC000049547429 169391459 /nfs/dbraw/zinc/39/14/59/169391459.db2.gz QAHFBIIDTXEZDW-GXSJLCMTSA-N 1 0 236.315 1.806 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000225505129 169391130 /nfs/dbraw/zinc/39/11/30/169391130.db2.gz PAYGHVJHCGHGIV-GMTAPVOTSA-N 1 0 244.404 1.904 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C)n1 ZINC000226692622 169392134 /nfs/dbraw/zinc/39/21/34/169392134.db2.gz VXIBQQUFUKBLFY-SNVBAGLBSA-N 1 0 221.304 1.764 10 0 BDAERO CCC[C@@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842850 169394119 /nfs/dbraw/zinc/39/41/19/169394119.db2.gz BZLCACNRJNVAQH-MRVPVSSYSA-N 1 0 205.261 1.656 10 0 BDAERO CC[NH+](CC)CCN1CC[C@@](C)(C(=O)OC)C1 ZINC000181371333 134335527 /nfs/dbraw/zinc/33/55/27/134335527.db2.gz WJEQRYBDSYVXOC-CYBMUJFWSA-N 1 0 242.363 1.213 10 0 BDAERO CC(C)(C)OC(=O)N1CCC([C@H]2C[C@H]2[NH3+])CC1 ZINC000238852467 166647006 /nfs/dbraw/zinc/64/70/06/166647006.db2.gz GFMLQHVAEWRLIF-GHMZBOCLSA-N 1 0 240.347 1.981 10 0 BDAERO CCC[C@@]1(C(=O)N2CCO[C@@H](C)C2)CC[NH2+]C1 ZINC000062887456 169459726 /nfs/dbraw/zinc/45/97/26/169459726.db2.gz JMDDOIJDVDPSJS-WCQYABFASA-N 1 0 240.347 1.014 10 0 BDAERO CCC[C@@]1(C(=O)O[C@@H]2CCOC2)CCC[NH2+]C1 ZINC000104106588 169460356 /nfs/dbraw/zinc/46/03/56/169460356.db2.gz DJQVYQQCQXYTBB-DGCLKSJQSA-N 1 0 241.331 1.488 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000082327501 166651846 /nfs/dbraw/zinc/65/18/46/166651846.db2.gz ZWEWOQJWNGDMHO-WDEREUQCSA-N 1 0 240.347 1.995 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+][C@H]2C(C)(C)C1 ZINC000301054765 166656357 /nfs/dbraw/zinc/65/63/57/166656357.db2.gz JHFGTUJMJRBKRC-VHSXEESVSA-N 1 0 240.347 1.851 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCSC1 ZINC000336702152 166701169 /nfs/dbraw/zinc/70/11/69/166701169.db2.gz YQYUVLVCQIQPLD-ZJUUUORDSA-N 1 0 217.378 1.736 10 0 BDAERO Cc1cnc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)s1 ZINC000226405205 134365448 /nfs/dbraw/zinc/36/54/48/134365448.db2.gz JFZKTSFIUPXCDF-RKDXNWHRSA-N 1 0 239.344 1.195 10 0 BDAERO COCCC(C)(C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000184677926 134368132 /nfs/dbraw/zinc/36/81/32/134368132.db2.gz OMZYAONMRXHGNW-NSHDSACASA-N 1 0 242.363 1.212 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1nnc(C(F)F)s1 ZINC000307551855 532993408 /nfs/dbraw/zinc/99/34/08/532993408.db2.gz TZJMLJXARUHXMK-DMTCNVIQSA-N 1 0 222.264 1.623 10 0 BDAERO C[C@@H](CCCO)[NH2+]CCc1ccccc1 ZINC000087358075 383828113 /nfs/dbraw/zinc/82/81/13/383828113.db2.gz DZXHSKGSOVIPPX-LBPRGKRZSA-N 1 0 207.317 1.980 10 0 BDAERO CC[C@H]1CCN(C(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000643733392 383867555 /nfs/dbraw/zinc/86/75/55/383867555.db2.gz BIRJTRASJOCTRE-WCQYABFASA-N 1 0 240.347 1.014 10 0 BDAERO C[C@H](CC1CC1)[NH2+][C@H]1CCc2nccn2C1 ZINC000371480401 383830411 /nfs/dbraw/zinc/83/04/11/383830411.db2.gz NYYQZHWFKMIFHU-PWSUYJOCSA-N 1 0 219.332 1.976 10 0 BDAERO COCc1cnc(C[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000348189596 383931789 /nfs/dbraw/zinc/93/17/89/383931789.db2.gz ORDWQZMERRHKIG-PSASIEDQSA-N 1 0 242.344 1.557 10 0 BDAERO Cc1ccc(C)c(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000643614211 383995614 /nfs/dbraw/zinc/99/56/14/383995614.db2.gz NLEXXTXAUANHMX-LBPRGKRZSA-N 1 0 248.326 1.478 10 0 BDAERO [NH3+]Cc1ncc2n1CCN(Cc1ccccc1)C2 ZINC000089195615 383941443 /nfs/dbraw/zinc/94/14/43/383941443.db2.gz UPHLKOGMUQLSBD-UHFFFAOYSA-N 1 0 242.326 1.358 10 0 BDAERO F[C@@H]1C[NH2+]CC[C@@H]1c1cnc2cc[nH]c2c1 ZINC000089221414 383948648 /nfs/dbraw/zinc/94/86/48/383948648.db2.gz KIMMHNAWPZBNKO-NXEZZACHSA-N 1 0 219.263 1.978 10 0 BDAERO C[C@]([NH3+])(CCO)c1nccc2[nH]ccc21 ZINC000089220671 383949473 /nfs/dbraw/zinc/94/94/73/383949473.db2.gz FRWJOSXXVSHBAU-NSHDSACASA-N 1 0 205.261 1.119 10 0 BDAERO O=c1c2ccc[nH]c-2cn1CC[NH+]1CCCC1 ZINC000089223380 383952768 /nfs/dbraw/zinc/95/27/68/383952768.db2.gz BLXDBIXCJRCZDM-UHFFFAOYSA-N 1 0 231.299 1.133 10 0 BDAERO [NH3+]Cc1ccc(I)o1 ZINC000037184017 383953378 /nfs/dbraw/zinc/95/33/78/383953378.db2.gz REBCYNNRZSTBCT-UHFFFAOYSA-N 1 0 223.013 1.343 10 0 BDAERO C(C[C@@H]1CCOC1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000401128492 383967271 /nfs/dbraw/zinc/96/72/71/383967271.db2.gz OUHOZNKJUUBKNO-KGLIPLIRSA-N 1 0 238.375 1.583 10 0 BDAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(N)sc21 ZINC000050331291 384001374 /nfs/dbraw/zinc/00/13/74/384001374.db2.gz WHVCSIYJEXOUPM-ZCFIWIBFSA-N 1 0 211.334 1.958 10 0 BDAERO Cc1cc(C)cc(NC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000643615175 384016785 /nfs/dbraw/zinc/01/67/85/384016785.db2.gz DRMFPJFGABHRIT-GFCCVEGCSA-N 1 0 248.326 1.478 10 0 BDAERO CCc1cccc(NC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000643616380 384007559 /nfs/dbraw/zinc/00/75/59/384007559.db2.gz SWHDQCJZIIJGGQ-GFCCVEGCSA-N 1 0 248.326 1.424 10 0 BDAERO O=C(NCc1cccnc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763103 384026367 /nfs/dbraw/zinc/02/63/67/384026367.db2.gz NXXBVOXKPGNMLT-JSGCOSHPSA-N 1 0 245.326 1.088 10 0 BDAERO CO[C@H]1CCC[C@H]1NC1=[NH+]CCCS1 ZINC000050375873 384011280 /nfs/dbraw/zinc/01/12/80/384011280.db2.gz MSFDKLZJNHYNFD-BDAKNGLRSA-N 1 0 214.334 1.636 10 0 BDAERO Cn1ccc2c1nccc2OCCC[NH3+] ZINC000090397863 384045738 /nfs/dbraw/zinc/04/57/38/384045738.db2.gz XJQIBXKQONXZRI-UHFFFAOYSA-N 1 0 205.261 1.301 10 0 BDAERO CCCCCC[NH2+]C[C@H](O)COCCOCC ZINC000070192287 384085024 /nfs/dbraw/zinc/08/50/24/384085024.db2.gz QEVWBOSUERKIMF-ZDUSSCGKSA-N 1 0 247.379 1.570 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+][C@@H]2CCCOC2)C1(C)C ZINC000309476281 384093700 /nfs/dbraw/zinc/09/37/00/384093700.db2.gz RTYQTJKKJNZOKF-WHOHXGKFSA-N 1 0 227.348 1.815 10 0 BDAERO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733556 384133633 /nfs/dbraw/zinc/13/36/33/384133633.db2.gz INTVECXUDRCWHR-VHSXEESVSA-N 1 0 225.361 1.793 10 0 BDAERO CC(C)(C)OC(=O)[C@@H](O)C[C@H]([NH3+])C(C)(C)C ZINC000091368757 384123633 /nfs/dbraw/zinc/12/36/33/384123633.db2.gz WJZFYQJUAVWVPT-IUCAKERBSA-N 1 0 231.336 1.453 10 0 BDAERO CCC[C@@](C)([NH3+])C(=O)NCc1ccoc1 ZINC000163192743 384155188 /nfs/dbraw/zinc/15/51/88/384155188.db2.gz OQCVTMQWRKTOOL-LLVKDONJSA-N 1 0 210.277 1.413 10 0 BDAERO COC(=O)c1ccc2[nH]c([C@@H]3CCC[NH2+]3)nc2c1 ZINC000066054726 384165036 /nfs/dbraw/zinc/16/50/36/384165036.db2.gz XUSVIZUHSYVCHW-JTQLQIEISA-N 1 0 245.282 1.774 10 0 BDAERO Cn1cc(CCC[NH2+]C[C@H]2CCC[C@H]2O)cn1 ZINC000314593076 384178981 /nfs/dbraw/zinc/17/89/81/384178981.db2.gz XBPFRRCYUKXOIC-CHWSQXEVSA-N 1 0 237.347 1.103 10 0 BDAERO CC(C)(C)OCCOc1cnccc1C[NH3+] ZINC000163223201 384180827 /nfs/dbraw/zinc/18/08/27/384180827.db2.gz CNEUENBDVMJNRT-UHFFFAOYSA-N 1 0 224.304 1.734 10 0 BDAERO CC[C@H]([NH3+])[C@H](C)N1CCOC(C)(C)C1 ZINC000036232349 384186313 /nfs/dbraw/zinc/18/63/13/384186313.db2.gz FQGMQPPPSKRDOW-UWVGGRQHSA-N 1 0 200.326 1.223 10 0 BDAERO C[NH2+][C@@H](C)[C@@H](C)N1CCOC(C)(C)C1 ZINC000043897784 384188581 /nfs/dbraw/zinc/18/85/81/384188581.db2.gz HUJOXCAFYKPZTD-VHSXEESVSA-N 1 0 200.326 1.094 10 0 BDAERO CC(C)(C)CC(C)(C)[NH2+]C[C@H]1CNC(=O)O1 ZINC000309641017 384189554 /nfs/dbraw/zinc/18/95/54/384189554.db2.gz UQUNAVMYQRIRCM-SECBINFHSA-N 1 0 228.336 1.899 10 0 BDAERO CCCN(CC)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643629405 384192843 /nfs/dbraw/zinc/19/28/43/384192843.db2.gz HNBQRICPKDHRIV-GFCCVEGCSA-N 1 0 228.336 1.014 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCCNC2=O)s1 ZINC000050394720 384198922 /nfs/dbraw/zinc/19/89/22/384198922.db2.gz YARNFMLAXILEKL-SNVBAGLBSA-N 1 0 224.329 1.425 10 0 BDAERO Cc1ccncc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282374292 384263478 /nfs/dbraw/zinc/26/34/78/384263478.db2.gz OBRZBNUKFKBJSG-CMPLNLGQSA-N 1 0 233.315 1.147 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000119394906 384268177 /nfs/dbraw/zinc/26/81/77/384268177.db2.gz AQHOOIHGPSNGHT-HNNXBMFYSA-N 1 0 248.370 1.970 10 0 BDAERO Cc1nc(F)ccc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000278871717 384270409 /nfs/dbraw/zinc/27/04/09/384270409.db2.gz YQZDMTXSJCKEGV-MWLCHTKSSA-N 1 0 224.279 1.796 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cncs1 ZINC000282419979 384272929 /nfs/dbraw/zinc/27/29/29/384272929.db2.gz SPPHNDJMBBPQQA-CIUDSAMLSA-N 1 0 239.344 1.461 10 0 BDAERO CCC[C@H](C(=O)Nc1cnn(C)c1C)[NH+](C)C ZINC000179617957 384314686 /nfs/dbraw/zinc/31/46/86/384314686.db2.gz OGAWWLZHECLQKT-LLVKDONJSA-N 1 0 238.335 1.397 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC000044136037 384316693 /nfs/dbraw/zinc/31/66/93/384316693.db2.gz FVXJAQWPWCMEGC-RYUDHWBXSA-N 1 0 219.284 1.553 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000083700817 384321096 /nfs/dbraw/zinc/32/10/96/384321096.db2.gz IKHOMBZLBLHOCE-MXWKQRLJSA-N 1 0 210.321 1.385 10 0 BDAERO Cc1ccoc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282457428 384288356 /nfs/dbraw/zinc/28/83/56/384288356.db2.gz SWDQHCVIRYEFRZ-ZJUUUORDSA-N 1 0 222.288 1.345 10 0 BDAERO Clc1cnc(SC[C@@H]2CCC[NH2+]2)nc1 ZINC000095070073 384335612 /nfs/dbraw/zinc/33/56/12/384335612.db2.gz SQNGDHUFNALODP-QMMMGPOBSA-N 1 0 229.736 1.974 10 0 BDAERO Clc1cc(SC[C@@H]2CCC[NH2+]2)ncn1 ZINC000095070451 384336764 /nfs/dbraw/zinc/33/67/64/384336764.db2.gz OCTIGEPYAFXFDH-ZETCQYMHSA-N 1 0 229.736 1.974 10 0 BDAERO Clc1nccc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000095070327 384337060 /nfs/dbraw/zinc/33/70/60/384337060.db2.gz NFZSGUCBALAIFD-SSDOTTSWSA-N 1 0 212.684 1.151 10 0 BDAERO Clc1nccc(NC[C@H]2CC[NH2+]C2)n1 ZINC000095070328 384337431 /nfs/dbraw/zinc/33/74/31/384337431.db2.gz NFZSGUCBALAIFD-ZETCQYMHSA-N 1 0 212.684 1.151 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1nc2ccccc2[nH]1 ZINC000095071121 384338146 /nfs/dbraw/zinc/33/81/46/384338146.db2.gz DJCXARHYAXJPAG-NSHDSACASA-N 1 0 244.342 1.999 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccsc1 ZINC000095071181 384338674 /nfs/dbraw/zinc/33/86/74/384338674.db2.gz SEXIRPUWNMLONR-VIFPVBQESA-N 1 0 224.329 1.430 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1ncc(Cl)cn1 ZINC000095070795 384339101 /nfs/dbraw/zinc/33/91/01/384339101.db2.gz RFRCNFMFZCSBNP-SNVBAGLBSA-N 1 0 240.738 1.708 10 0 BDAERO CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccsc1 ZINC000095071180 384339242 /nfs/dbraw/zinc/33/92/42/384339242.db2.gz SEXIRPUWNMLONR-SECBINFHSA-N 1 0 224.329 1.430 10 0 BDAERO CN(CC(=O)c1ccc[nH]1)C[C@H]1CCC[NH2+]C1 ZINC000095071133 384339397 /nfs/dbraw/zinc/33/93/97/384339397.db2.gz OGQLGMBPHKDTJF-NSHDSACASA-N 1 0 235.331 1.129 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)c1cnc2ccccc2n1 ZINC000095070972 384339506 /nfs/dbraw/zinc/33/95/06/384339506.db2.gz RYLNPBBLDYMYJX-NSHDSACASA-N 1 0 242.326 1.818 10 0 BDAERO Cc1cc(C)nc(N(C)C[C@H]2CCCC[NH2+]2)n1 ZINC000095070777 384339607 /nfs/dbraw/zinc/33/96/07/384339607.db2.gz YMGGDVHJHOMCFF-GFCCVEGCSA-N 1 0 234.347 1.672 10 0 BDAERO CSc1nccc(O[C@H]2CCC[NH2+]C2)n1 ZINC000095071868 384340585 /nfs/dbraw/zinc/34/05/85/384340585.db2.gz NBWQFRKVSXLLHD-QMMMGPOBSA-N 1 0 225.317 1.329 10 0 BDAERO CSc1nccc(NC2CCC([NH3+])CC2)n1 ZINC000095071853 384340640 /nfs/dbraw/zinc/34/06/40/384340640.db2.gz PTZSWNXJEYIFIY-UHFFFAOYSA-N 1 0 238.360 1.880 10 0 BDAERO CN(CC1CC[NH2+]CC1)c1ncc(F)cn1 ZINC000095071315 384341390 /nfs/dbraw/zinc/34/13/90/384341390.db2.gz QNRAWRBPEVVPMC-UHFFFAOYSA-N 1 0 224.283 1.052 10 0 BDAERO CN(Cc1nccnc1Cl)C[C@H]1CC[NH2+]C1 ZINC000095071303 384341582 /nfs/dbraw/zinc/34/15/82/384341582.db2.gz ORABWIQFIDYWFL-VIFPVBQESA-N 1 0 240.738 1.171 10 0 BDAERO CN(Cc1ccc(Cl)nn1)C[C@H]1CC[NH2+]C1 ZINC000095071291 384341664 /nfs/dbraw/zinc/34/16/64/384341664.db2.gz UHIIWMRDMSNLJG-VIFPVBQESA-N 1 0 240.738 1.171 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cnccn1 ZINC000134246857 384342037 /nfs/dbraw/zinc/34/20/37/384342037.db2.gz NTMGBEGZNKRIMF-IVZWLZJFSA-N 1 0 207.277 1.305 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCc1ccc(Cl)nn1 ZINC000095072312 384342735 /nfs/dbraw/zinc/34/27/35/384342735.db2.gz MKYXLVKALSNTEO-UWVGGRQHSA-N 1 0 240.738 1.490 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCc1ccccn1 ZINC000095072275 384342983 /nfs/dbraw/zinc/34/29/83/384342983.db2.gz LNIIYMZGKXCBNO-NWDGAFQWSA-N 1 0 205.305 1.441 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1Nc1ncc(Cl)cn1 ZINC000095072211 384343308 /nfs/dbraw/zinc/34/33/08/384343308.db2.gz KHQPTAHFOZAQNV-DTWKUNHWSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ccncc2Cl)C1 ZINC000335583377 384344788 /nfs/dbraw/zinc/34/47/88/384344788.db2.gz WODALGJGUCMNIC-RKDXNWHRSA-N 1 0 225.723 1.696 10 0 BDAERO O=C(CNC[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000095072796 384345183 /nfs/dbraw/zinc/34/51/83/384345183.db2.gz RRRCNBPKPBIUHF-JTQLQIEISA-N 1 0 238.356 1.520 10 0 BDAERO O=C(CO[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000095072826 384345226 /nfs/dbraw/zinc/34/52/26/384345226.db2.gz ISXKXACZIODXLV-MRVPVSSYSA-N 1 0 226.301 1.094 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](N=c2[nH]c3ccccc3o2)C1 ZINC000335583384 384345492 /nfs/dbraw/zinc/34/54/92/384345492.db2.gz WXARFDGSSKFHQN-UWVGGRQHSA-N 1 0 231.299 1.789 10 0 BDAERO O=C(CNC1CC[NH2+]CC1)c1cccs1 ZINC000095072763 384345558 /nfs/dbraw/zinc/34/55/58/384345558.db2.gz ASUVSJHZFZOKAB-UHFFFAOYSA-N 1 0 224.329 1.272 10 0 BDAERO O=C(COC[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095072882 384345868 /nfs/dbraw/zinc/34/58/68/384345868.db2.gz LCPDNXVQPQUMTM-JTQLQIEISA-N 1 0 222.288 1.214 10 0 BDAERO O=[S@@](Cc1ccncc1)C[C@H]1CCC[NH2+]C1 ZINC000095073639 384347351 /nfs/dbraw/zinc/34/73/51/384347351.db2.gz WSIYGKLMPOWGRV-BLLLJJGKSA-N 1 0 238.356 1.330 10 0 BDAERO O=[S@@](C[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000095073494 384348017 /nfs/dbraw/zinc/34/80/17/384348017.db2.gz HJBYWBGDLNAAEG-XLKFXECMSA-N 1 0 230.358 1.393 10 0 BDAERO O=[S@@](Cc1cccnc1)C[C@@H]1CCC[NH2+]1 ZINC000095073573 384348158 /nfs/dbraw/zinc/34/81/58/384348158.db2.gz RNGWWCDJLVPGRV-XHDPSFHLSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](c1nccs1)C1CC[NH2+]CC1 ZINC000095073416 384348887 /nfs/dbraw/zinc/34/88/87/384348887.db2.gz OSRDTBVCAHQXGH-CYBMUJFWSA-N 1 0 216.331 1.003 10 0 BDAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1nc2ccccc2[nH]1 ZINC000095073677 384350249 /nfs/dbraw/zinc/35/02/49/384350249.db2.gz VTSJQGDZZZBXKR-XLFHBGCDSA-N 1 0 249.339 1.280 10 0 BDAERO c1cnc(COCC[C@@H]2CCC[NH2+]C2)cn1 ZINC000095092494 384361311 /nfs/dbraw/zinc/36/13/11/384361311.db2.gz FCRQIXFCQGVAMO-NSHDSACASA-N 1 0 221.304 1.383 10 0 BDAERO c1cnc2[nH]c(OC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092678 384363884 /nfs/dbraw/zinc/36/38/84/384363884.db2.gz WYSNQQHFWGZPEO-SECBINFHSA-N 1 0 232.287 1.336 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000335596323 384365049 /nfs/dbraw/zinc/36/50/49/384365049.db2.gz LPKMTKNZSFHHTC-MNOVXSKESA-N 1 0 233.315 1.717 10 0 BDAERO C[C@H]1[C@@H](O)CCCN1Cc1nc2ccccc2[nH]1 ZINC000335598895 384369414 /nfs/dbraw/zinc/36/94/14/384369414.db2.gz ZOLNVNYMIQKEPD-GWCFXTLKSA-N 1 0 245.326 1.908 10 0 BDAERO C[C@H]1[C@H](O)CCCN1Cc1nc2ccccc2[nH]1 ZINC000335598896 384370837 /nfs/dbraw/zinc/37/08/37/384370837.db2.gz ZOLNVNYMIQKEPD-GXFFZTMASA-N 1 0 245.326 1.908 10 0 BDAERO Cc1ccnc(OCCC[C@@H]2CCC[NH2+]C2)n1 ZINC000095069415 384334503 /nfs/dbraw/zinc/33/45/03/384334503.db2.gz XERVPWZQQAQMKZ-LBPRGKRZSA-N 1 0 235.331 1.944 10 0 BDAERO Clc1nccc(COC[C@@H]2CCC[NH2+]C2)n1 ZINC000095070143 384334935 /nfs/dbraw/zinc/33/49/35/384334935.db2.gz HYWGNCBAAHCSOP-SECBINFHSA-N 1 0 241.722 1.646 10 0 BDAERO [NH3+]CCN1CC[C@@H](n2ccnc2)c2ccccc21 ZINC000616675858 384411378 /nfs/dbraw/zinc/41/13/78/384411378.db2.gz RXZVBWIQSIEEFR-CQSZACIVSA-N 1 0 242.326 1.641 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@]2(CCCO2)C1 ZINC000095937349 384417213 /nfs/dbraw/zinc/41/72/13/384417213.db2.gz HNYUXHMUVZLBQY-JOYOIKCWSA-N 1 0 242.319 1.114 10 0 BDAERO C[C@H]1[C@@H]([NH2+]CC2(C)CCC2)CCS1(=O)=O ZINC000309116165 384424706 /nfs/dbraw/zinc/42/47/06/384424706.db2.gz LOOSCXWDPMRTEU-UWVGGRQHSA-N 1 0 231.361 1.342 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCOC ZINC000175343753 384424954 /nfs/dbraw/zinc/42/49/54/384424954.db2.gz MAOQKYPANDIDAO-GFCCVEGCSA-N 1 0 214.353 1.439 10 0 BDAERO CC1(CCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000648174248 384376134 /nfs/dbraw/zinc/37/61/34/384376134.db2.gz VTIWPGPWNMPGAL-WDEREUQCSA-N 1 0 224.348 1.668 10 0 BDAERO CC(C)CC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404195649 384425135 /nfs/dbraw/zinc/42/51/35/384425135.db2.gz JAWDFRYDPPLOPI-NEPJUHHUSA-N 1 0 212.337 1.095 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000084223315 384380049 /nfs/dbraw/zinc/38/00/49/384380049.db2.gz MKEXHKGANQHZKX-IJLUTSLNSA-N 1 0 213.321 1.306 10 0 BDAERO Cc1c(OC(F)(F)F)ccnc1C[NH3+] ZINC000095642099 384385246 /nfs/dbraw/zinc/38/52/46/384385246.db2.gz FVSHZGVRCDLZAT-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO COC(=O)Cc1ccc(C2CC[NH2+]CC2)cc1 ZINC000059979788 384390390 /nfs/dbraw/zinc/39/03/90/384390390.db2.gz DOUDPCKSDZVCFD-UHFFFAOYSA-N 1 0 233.311 1.869 10 0 BDAERO Cc1ccnc(N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000335657238 384455304 /nfs/dbraw/zinc/45/53/04/384455304.db2.gz PEZYEWHULDGFSR-GHMZBOCLSA-N 1 0 205.305 1.800 10 0 BDAERO CC(C)[C@H](C)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262788225 384444002 /nfs/dbraw/zinc/44/40/02/384444002.db2.gz CWSNZOADTXRBSK-UTUOFQBUSA-N 1 0 226.364 1.925 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000047864601 384468996 /nfs/dbraw/zinc/46/89/96/384468996.db2.gz ITXJFNOEXBRDPB-MRVPVSSYSA-N 1 0 238.287 1.250 10 0 BDAERO [NH3+]Cc1cccc(C[C@H]2CCCNC2=O)c1 ZINC000028635030 384470370 /nfs/dbraw/zinc/47/03/70/384470370.db2.gz WOUBCSVRQLAOBC-GFCCVEGCSA-N 1 0 218.300 1.214 10 0 in-vivo BDAERO CC(C)=CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000300746852 384525360 /nfs/dbraw/zinc/52/53/60/384525360.db2.gz YDEONKLXVUHUAY-RYUDHWBXSA-N 1 0 222.332 1.648 10 0 BDAERO [NH3+]C[C@H]1CN(c2cccc(F)c2)C(=O)O1 ZINC000019669179 384530375 /nfs/dbraw/zinc/53/03/75/384530375.db2.gz JUPGGIVRZWNEBD-VIFPVBQESA-N 1 0 210.208 1.110 10 0 BDAERO CCc1csc(N(C)CCOCC[NH3+])n1 ZINC000300769280 384545345 /nfs/dbraw/zinc/54/53/45/384545345.db2.gz APLIUDFXLRKCOY-UHFFFAOYSA-N 1 0 229.349 1.117 10 0 BDAERO COCCOCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637266 384550157 /nfs/dbraw/zinc/55/01/57/384550157.db2.gz RTUGJIRKLDHTDO-SRVKXCTJSA-N 1 0 243.347 1.053 10 0 BDAERO CN(c1ccnc(C2CC2)n1)[C@@H]1CC[NH2+]C1 ZINC000212221240 384563510 /nfs/dbraw/zinc/56/35/10/384563510.db2.gz RUQTXKBVIBNSPC-SNVBAGLBSA-N 1 0 218.304 1.152 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403141490 384572976 /nfs/dbraw/zinc/57/29/76/384572976.db2.gz WFNXQFISHDQPPK-CHWFTXMASA-N 1 0 210.321 1.147 10 0 BDAERO Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000184398722 384603087 /nfs/dbraw/zinc/60/30/87/384603087.db2.gz BVVBGWHSSCBDRB-TZMCWYRMSA-N 1 0 249.358 1.371 10 0 BDAERO Cc1cnc(CN[C@H](C)[C@@H]2CCCO2)nc1 ZINC000309794753 384616667 /nfs/dbraw/zinc/61/66/67/384616667.db2.gz PWTRUVVPCWWEOX-MNOVXSKESA-N 1 0 221.304 1.442 10 0 BDAERO OC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000084446176 384620423 /nfs/dbraw/zinc/62/04/23/384620423.db2.gz KXHCXBUOFSKZDW-UHFFFAOYSA-N 1 0 209.264 1.686 10 0 BDAERO COC[C@H](C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000103430609 384626926 /nfs/dbraw/zinc/62/69/26/384626926.db2.gz BVKVBIDJKXBOFF-NWDGAFQWSA-N 1 0 242.363 1.260 10 0 BDAERO COC[C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000103431297 384627028 /nfs/dbraw/zinc/62/70/28/384627028.db2.gz BCKCBIGKZQOJEU-NEPJUHHUSA-N 1 0 242.363 1.117 10 0 BDAERO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)COC ZINC000103521686 384629116 /nfs/dbraw/zinc/62/91/16/384629116.db2.gz ZFGVFBRWBYBOBZ-WDEREUQCSA-N 1 0 230.352 1.115 10 0 BDAERO Cc1ccnc(S[C@@H]2CCC[NH2+]C2)n1 ZINC000051332210 384665586 /nfs/dbraw/zinc/66/55/86/384665586.db2.gz KDGPVIVDTAGUNO-SECBINFHSA-N 1 0 209.318 1.629 10 0 BDAERO Cc1cnn(CC[NH2+]CC2=CCCOC2)c1 ZINC000124704006 384671003 /nfs/dbraw/zinc/67/10/03/384671003.db2.gz AKHOVVPAMVXMAN-UHFFFAOYSA-N 1 0 221.304 1.128 10 0 BDAERO CC(C)(C)OC(=O)N1CC[NH2+][C@H]2CCC[C@H]21 ZINC000082359729 384672040 /nfs/dbraw/zinc/67/20/40/384672040.db2.gz DTQFSFGKCIRARX-VHSXEESVSA-N 1 0 226.320 1.748 10 0 BDAERO C[C@@]([NH3+])(CO)[C@@H]1CCc2cc(O)ccc2C1 ZINC000082048711 384645186 /nfs/dbraw/zinc/64/51/86/384645186.db2.gz ROQUHQOMQGBKNK-DGCLKSJQSA-N 1 0 221.300 1.207 10 0 BDAERO Cc1ccc([C@H]2C[NH2+]C[C@@H](C(N)=O)C2)cc1 ZINC000082163218 384646440 /nfs/dbraw/zinc/64/64/40/384646440.db2.gz AUOMSSOSEDEQLU-NEPJUHHUSA-N 1 0 218.300 1.173 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H](c2cccc(F)c2)C1 ZINC000082163278 384647888 /nfs/dbraw/zinc/64/78/88/384647888.db2.gz XUWCFBZWGOBXKW-MNOVXSKESA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)C[C@@H]1CC2=C(CCC[C@@H]2[NH3+])O1 ZINC000082162625 384648302 /nfs/dbraw/zinc/64/83/02/384648302.db2.gz OTUDPBPQDWXAHP-CBAPKCEASA-N 1 0 211.261 1.104 10 0 BDAERO CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000154699012 384656633 /nfs/dbraw/zinc/65/66/33/384656633.db2.gz SCAXGQWQQIAJSH-GHMZBOCLSA-N 1 0 228.336 1.010 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncncc1Cl ZINC000306831945 384682200 /nfs/dbraw/zinc/68/22/00/384682200.db2.gz NIHGEDXZLBTWEP-RNFRBKRXSA-N 1 0 212.684 1.056 10 0 BDAERO c1cnc(SC[C@H]2CCC[NH2+]C2)cn1 ZINC000082433474 384683355 /nfs/dbraw/zinc/68/33/55/384683355.db2.gz BSRQOICPBSBAMA-VIFPVBQESA-N 1 0 209.318 1.568 10 0 BDAERO Cc1cc(C)nc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000051883015 384697908 /nfs/dbraw/zinc/69/79/08/384697908.db2.gz XYRWSBCCMNLBIA-LLVKDONJSA-N 1 0 221.304 1.472 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1ccc(Br)s1 ZINC000043265241 384699470 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/nfs/dbraw/zinc/76/87/60/384768760.db2.gz FCMAXABWWNOART-WPRPVWTQSA-N 1 0 228.361 1.078 10 0 BDAERO CN(CCC(C)(C)C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000648201242 384820842 /nfs/dbraw/zinc/82/08/42/384820842.db2.gz CVNROWWQSKOQGC-VHSXEESVSA-N 1 0 230.327 1.581 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CCC(C)C)C1 ZINC000308572947 384823524 /nfs/dbraw/zinc/82/35/24/384823524.db2.gz LHNMVFDKKCIUMD-MNOVXSKESA-N 1 0 201.310 1.114 10 0 BDAERO C[C@@H]([NH3+])c1nc2cc(Br)cnc2[nH]1 ZINC000043460867 384829203 /nfs/dbraw/zinc/82/92/03/384829203.db2.gz JTEFTMACQPBWLM-SCSAIBSYSA-N 1 0 241.092 1.740 10 0 BDAERO Cc1ccoc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000126778262 384829619 /nfs/dbraw/zinc/82/96/19/384829619.db2.gz GLLWAEGHICNVEI-NSHDSACASA-N 1 0 224.304 1.008 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1[C@@H]1CCSC1 ZINC000044540002 384785365 /nfs/dbraw/zinc/78/53/65/384785365.db2.gz ZAGFSBOLXLAJOV-VHSXEESVSA-N 1 0 200.351 1.305 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000043388733 384792076 /nfs/dbraw/zinc/79/20/76/384792076.db2.gz ZJYZEGVTNYKEGB-MLUIRONXSA-N 1 0 203.644 1.860 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000310035662 384803661 /nfs/dbraw/zinc/80/36/61/384803661.db2.gz UBCMFWBBLJRHCP-WDEREUQCSA-N 1 0 247.404 1.835 10 0 BDAERO CCC[C@@]1(CO)CCN(CC[NH2+]C(C)C)C1 ZINC000310038253 384805464 /nfs/dbraw/zinc/80/54/64/384805464.db2.gz VXHXULDHJLMGCP-CYBMUJFWSA-N 1 0 228.380 1.469 10 0 BDAERO [NH3+][C@H](CO)c1c(F)ccc(F)c1Cl ZINC000072198054 384810461 /nfs/dbraw/zinc/81/04/61/384810461.db2.gz DOSICJWIUSKCGF-ZCFIWIBFSA-N 1 0 207.607 1.610 10 0 BDAERO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)CC(F)F ZINC000648194340 384811107 /nfs/dbraw/zinc/81/11/07/384811107.db2.gz ZNGTXDZLMIPJRZ-BDAKNGLRSA-N 1 0 234.290 1.394 10 0 BDAERO Cc1ccoc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000126839192 384812042 /nfs/dbraw/zinc/81/20/42/384812042.db2.gz DJVWPRKYHSDCLH-WDEREUQCSA-N 1 0 209.289 1.981 10 0 BDAERO [NH3+][C@@H](CO)c1cccc(C(F)(F)F)c1F ZINC000072198438 384814398 /nfs/dbraw/zinc/81/43/98/384814398.db2.gz GOVQSPRLECVDKT-ZETCQYMHSA-N 1 0 223.169 1.837 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(F)cc1C(F)(F)F ZINC000072201036 384814895 /nfs/dbraw/zinc/81/48/95/384814895.db2.gz BXXOVQMCIGLCDY-QMMMGPOBSA-N 1 0 222.185 1.803 10 0 BDAERO Cc1nc(SC[C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000043471817 384838951 /nfs/dbraw/zinc/83/89/51/384838951.db2.gz AVIVSXJNOLGJOW-MRVPVSSYSA-N 1 0 212.322 1.205 10 0 BDAERO COC[C@]1(C(=O)N2CCC(C)(C)C2)CCC[NH2+]1 ZINC000643689982 384839259 /nfs/dbraw/zinc/83/92/59/384839259.db2.gz UHJLGNYTYMNXQY-ZDUSSCGKSA-N 1 0 240.347 1.014 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000310109538 384843322 /nfs/dbraw/zinc/84/33/22/384843322.db2.gz DXRKLVKSSAZNTC-GRYCIOLGSA-N 1 0 243.347 1.026 10 0 BDAERO CC[NH+](CC)CCNCc1scnc1C ZINC000084149127 384843666 /nfs/dbraw/zinc/84/36/66/384843666.db2.gz ICUKCWUZNLQDGB-UHFFFAOYSA-N 1 0 227.377 1.883 10 0 BDAERO CC(C)CC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105890101 384889136 /nfs/dbraw/zinc/88/91/36/384889136.db2.gz NDIXUEZQGBLNGS-ZDUSSCGKSA-N 1 0 237.347 1.630 10 0 BDAERO Fc1ccc(CNC[C@H]2CC[NH2+]C2)cc1F ZINC000258940308 384953398 /nfs/dbraw/zinc/95/33/98/384953398.db2.gz QJDCTRHHLBWDTK-JTQLQIEISA-N 1 0 226.270 1.664 10 0 BDAERO CC[C@](C)([NH3+])c1noc(C(F)(F)Cl)n1 ZINC000156779462 384956421 /nfs/dbraw/zinc/95/64/21/384956421.db2.gz PXECMZDEMALBFN-LURJTMIESA-N 1 0 225.626 1.942 10 0 BDAERO Cc1cnn([C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000105923421 384893194 /nfs/dbraw/zinc/89/31/94/384893194.db2.gz LGXLJPRBMHBHDM-LBPRGKRZSA-N 1 0 223.320 1.211 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000086929339 384895514 /nfs/dbraw/zinc/89/55/14/384895514.db2.gz IYKTUVFHMDWRCY-QWHCGFSZSA-N 1 0 226.364 1.439 10 0 BDAERO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000250584120 384910607 /nfs/dbraw/zinc/91/06/07/384910607.db2.gz DLTIGWPASAOHGJ-QJPTWQEYSA-N 1 0 245.363 1.320 10 0 BDAERO c1ncn(C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000156621904 384912124 /nfs/dbraw/zinc/91/21/24/384912124.db2.gz BTHYDLYAVOLGCM-GFCCVEGCSA-N 1 0 236.319 1.094 10 0 BDAERO C[C@@H](CC[NH3+])Nc1cc(NC2CC2)ncn1 ZINC000258674525 384935020 /nfs/dbraw/zinc/93/50/20/384935020.db2.gz OTZUWEGKWTVRFB-QMMMGPOBSA-N 1 0 221.308 1.200 10 0 BDAERO CCN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106905136 384940976 /nfs/dbraw/zinc/94/09/76/384940976.db2.gz BRKWSTYGFPSJCV-ZDUSSCGKSA-N 1 0 234.343 1.638 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCF)C12CCC2 ZINC000377061631 384975507 /nfs/dbraw/zinc/97/55/07/384975507.db2.gz MRTLTYXTTAYXEY-KXUCPTDWSA-N 1 0 201.285 1.749 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000060820822 384976478 /nfs/dbraw/zinc/97/64/78/384976478.db2.gz FRVQOEHGGLXDHO-WDEREUQCSA-N 1 0 230.267 1.162 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000404427520 384991501 /nfs/dbraw/zinc/99/15/01/384991501.db2.gz IZOKTJUESPDGNI-IUCAKERBSA-N 1 0 212.318 1.536 10 0 BDAERO C[NH2+][C@H](CO)c1ccc(F)c(Br)c1 ZINC000038121232 384997041 /nfs/dbraw/zinc/99/70/41/384997041.db2.gz IPXIRXUGWLUMMI-SECBINFHSA-N 1 0 248.095 1.841 10 0 BDAERO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000300859105 385003291 /nfs/dbraw/zinc/00/32/91/385003291.db2.gz GFZNEOBUGSJZTF-CHWSQXEVSA-N 1 0 228.380 1.589 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCCOC(C)(C)C1 ZINC000310360707 385006558 /nfs/dbraw/zinc/00/65/58/385006558.db2.gz UDZGZYDALUBMDS-GHMZBOCLSA-N 1 0 242.363 1.387 10 0 BDAERO CC(C)C1([NH2+]CCCS(=O)(=O)C(C)C)CC1 ZINC000339515229 385010148 /nfs/dbraw/zinc/01/01/48/385010148.db2.gz PTRMZWZEUHHLMU-UHFFFAOYSA-N 1 0 247.404 1.978 10 0 BDAERO CC[C@H](C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C)OC ZINC000310375344 385015331 /nfs/dbraw/zinc/01/53/31/385015331.db2.gz ZMNJPUYXXCQAOS-MGPQQGTHSA-N 1 0 240.391 1.970 10 0 BDAERO Cc1ccc(F)c(CNC[C@@H]2CC[NH2+]C2)c1 ZINC000398339420 385056744 /nfs/dbraw/zinc/05/67/44/385056744.db2.gz FWJRDMKCNACAJS-LLVKDONJSA-N 1 0 222.307 1.833 10 0 BDAERO OC1CC(C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000086903548 385061065 /nfs/dbraw/zinc/06/10/65/385061065.db2.gz DKLWCTJFLXDUJY-CXQJBGSLSA-N 1 0 225.332 1.449 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CC[C@H](C)F ZINC000644654551 385062166 /nfs/dbraw/zinc/06/21/66/385062166.db2.gz YIAOOOCSQOWAFL-QWRGUYRKSA-N 1 0 221.316 1.502 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC000177646490 385073411 /nfs/dbraw/zinc/07/34/11/385073411.db2.gz CLDBWXCCXCWOPC-LBPRGKRZSA-N 1 0 236.315 1.375 10 0 BDAERO CCOc1ccccc1-n1cc(C[NH3+])nn1 ZINC000062241805 385024769 /nfs/dbraw/zinc/02/47/69/385024769.db2.gz NQOPKCRKCCJGJR-UHFFFAOYSA-N 1 0 218.260 1.125 10 0 BDAERO C[C@H]([NH3+])c1ccc(N2C(=S)N=NC2C)cc1 ZINC000058824581 385025306 /nfs/dbraw/zinc/02/53/06/385025306.db2.gz IGMDRBNOKRDZLX-ZETCQYMHSA-N 1 0 234.328 1.884 10 0 BDAERO c1coc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128489677 385039912 /nfs/dbraw/zinc/03/99/12/385039912.db2.gz LNVUQKVVJRBFER-GFCCVEGCSA-N 1 0 246.314 1.783 10 0 BDAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@]1(C)CCCO1 ZINC000340237311 385042005 /nfs/dbraw/zinc/04/20/05/385042005.db2.gz SJGWLKMKDUTMSR-GMXVVIOVSA-N 1 0 229.364 1.941 10 0 BDAERO CC[C@H](CO)[N@H+](C)C[C@H](O)C(C)(C)C ZINC000345847496 385139067 /nfs/dbraw/zinc/13/90/67/385139067.db2.gz YXVHWEMOHWGFBJ-ZJUUUORDSA-N 1 0 203.326 1.096 10 0 BDAERO O=C(C1CC=CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000119702945 385139362 /nfs/dbraw/zinc/13/93/62/385139362.db2.gz ZRDHYWWFWUCCQU-CYBMUJFWSA-N 1 0 234.343 1.649 10 0 BDAERO [NH3+]C[C@](O)(c1cccs1)C(F)(F)F ZINC000062784761 385186384 /nfs/dbraw/zinc/18/63/84/385186384.db2.gz WOCYIZDOSCEUGS-LURJTMIESA-N 1 0 211.208 1.457 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC000062969368 385198142 /nfs/dbraw/zinc/19/81/42/385198142.db2.gz JWEOKKSXUZOYMZ-JTQLQIEISA-N 1 0 236.290 1.602 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2F)C1 ZINC000062969367 385199042 /nfs/dbraw/zinc/19/90/42/385199042.db2.gz JWEOKKSXUZOYMZ-SNVBAGLBSA-N 1 0 236.290 1.602 10 0 BDAERO Cc1ccccc1CCNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164657845 385221693 /nfs/dbraw/zinc/22/16/93/385221693.db2.gz RCMNTRYECOCVLJ-LBPRGKRZSA-N 1 0 246.354 1.509 10 0 BDAERO O=C1CCCCC[C@@H]1N1CCC[NH2+]CC1 ZINC000062749596 385226929 /nfs/dbraw/zinc/22/69/29/385226929.db2.gz GMCOQLRAUUZWNW-NSHDSACASA-N 1 0 210.321 1.184 10 0 BDAERO Cc1nnc(SC[C@@H]2CCC[NH2+]C2)o1 ZINC000051038672 385258068 /nfs/dbraw/zinc/25/80/68/385258068.db2.gz GZOUBXIDXOHZPX-MRVPVSSYSA-N 1 0 213.306 1.470 10 0 BDAERO [NH3+]Cc1cn(CCCOc2ccccc2)nn1 ZINC000050224836 385311367 /nfs/dbraw/zinc/31/13/67/385311367.db2.gz RBEMYPGGNIKXCZ-UHFFFAOYSA-N 1 0 232.287 1.206 10 0 BDAERO CCN(CC)C(=O)O[C@@H]1CCCC[C@H]1[NH3+] ZINC000131788208 385317364 /nfs/dbraw/zinc/31/73/64/385317364.db2.gz VMHLZHHBRACUTB-NXEZZACHSA-N 1 0 214.309 1.735 10 0 BDAERO C[NH+](C)C[C@@H]1SC(=O)c2cc(O)ccc21 ZINC000033877695 385269062 /nfs/dbraw/zinc/26/90/62/385269062.db2.gz RFUXRRGRONDQGA-JTQLQIEISA-N 1 0 223.297 1.882 10 0 BDAERO CC(C)n1nccc1C[NH2+][C@H]1CCO[C@H]1C ZINC000280172499 385273821 /nfs/dbraw/zinc/27/38/21/385273821.db2.gz GETVPDSRXYCKLA-JQWIXIFHSA-N 1 0 223.320 1.731 10 0 BDAERO CC[C@H]([NH2+]CCn1cncn1)C(C)(C)C ZINC000308916576 385282257 /nfs/dbraw/zinc/28/22/57/385282257.db2.gz GCJISBONGCHHQI-JTQLQIEISA-N 1 0 210.325 1.692 10 0 BDAERO COCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000178531579 385296307 /nfs/dbraw/zinc/29/63/07/385296307.db2.gz IIEGUMNNRTVSNN-XQQFMLRXSA-N 1 0 229.364 1.942 10 0 BDAERO CN(C)c1cccnc1C[NH2+]CC1CC1 ZINC000289732486 385329579 /nfs/dbraw/zinc/32/95/79/385329579.db2.gz GXJSTOWLNCWXMQ-UHFFFAOYSA-N 1 0 205.305 1.647 10 0 BDAERO Cc1n[nH]cc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000131426981 385332875 /nfs/dbraw/zinc/33/28/75/385332875.db2.gz JQSBVIFECNQDDI-QMMMGPOBSA-N 1 0 211.334 1.655 10 0 BDAERO C[C@H](CO)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000309004388 385364581 /nfs/dbraw/zinc/36/45/81/385364581.db2.gz PDSFNUIDAHNHMJ-WDEREUQCSA-N 1 0 213.321 1.164 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccccn1 ZINC000294991996 385364850 /nfs/dbraw/zinc/36/48/50/385364850.db2.gz KVAOATZQZBZIEH-CMPLNLGQSA-N 1 0 206.289 1.427 10 0 BDAERO Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](C)O)C2)n1 ZINC000192984727 385378215 /nfs/dbraw/zinc/37/82/15/385378215.db2.gz SFNOSHGVQKARAY-OLZOCXBDSA-N 1 0 249.358 1.505 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644017494 385381469 /nfs/dbraw/zinc/38/14/69/385381469.db2.gz UKUUQBAPIORICC-RKDXNWHRSA-N 1 0 234.290 1.392 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(C)(F)F)C1 ZINC000409428816 385326895 /nfs/dbraw/zinc/32/68/95/385326895.db2.gz NJDSXDAZJGBWOQ-HTQZYQBOSA-N 1 0 220.263 1.227 10 0 BDAERO CC1CC(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])C1 ZINC000644063341 385412269 /nfs/dbraw/zinc/41/22/69/385412269.db2.gz QHBQIIQCYDWSCY-POSLAHMBSA-N 1 0 224.348 1.618 10 0 BDAERO CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)C(C)(C)C ZINC000309091411 385414133 /nfs/dbraw/zinc/41/41/33/385414133.db2.gz CGFSGWNLJFVDNZ-PWSUYJOCSA-N 1 0 215.337 1.552 10 0 BDAERO CC[C@H]([NH2+]C[C@]1(O)CCOC1)C(C)(C)C ZINC000309091408 385414156 /nfs/dbraw/zinc/41/41/56/385414156.db2.gz CGFSGWNLJFVDNZ-CMPLNLGQSA-N 1 0 215.337 1.552 10 0 BDAERO c1cnc2ccc(OCC3C[NH2+]C3)cc2c1 ZINC000169726333 385418639 /nfs/dbraw/zinc/41/86/39/385418639.db2.gz AIHSXCAYEZRMMW-UHFFFAOYSA-N 1 0 214.268 1.833 10 0 BDAERO Cc1csc(SCC2C[NH2+]C2)n1 ZINC000169726342 385418656 /nfs/dbraw/zinc/41/86/56/385418656.db2.gz GCSNTZGURFBOHQ-UHFFFAOYSA-N 1 0 200.332 1.763 10 0 BDAERO COC(=O)[C@@H](N)[C@@H](C)Sc1ccccc1 ZINC000169726741 385419124 /nfs/dbraw/zinc/41/91/24/385419124.db2.gz VQTQAAZZNGBWGM-SCZZXKLOSA-N 1 0 225.313 1.668 10 0 BDAERO CC[C@@H](C(=O)N[C@H]1COc2ccccc21)[NH+](C)C ZINC000155949252 385422478 /nfs/dbraw/zinc/42/24/78/385422478.db2.gz HEKJKHCMYAAYJM-RYUDHWBXSA-N 1 0 248.326 1.577 10 0 BDAERO Cc1cc(C)nc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000170844093 385451851 /nfs/dbraw/zinc/45/18/51/385451851.db2.gz ZFIYCASFNQSPPM-NSHDSACASA-N 1 0 220.320 1.234 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000170867573 385452015 /nfs/dbraw/zinc/45/20/15/385452015.db2.gz PVKZYZCCCHNSMS-JTQLQIEISA-N 1 0 248.330 1.063 10 0 BDAERO C[C@]1(C[NH2+]C2COC2)CCO[C@@H]1C1CC1 ZINC000309125270 385429843 /nfs/dbraw/zinc/42/98/43/385429843.db2.gz PHJBVIUWWWPBBK-VXGBXAGGSA-N 1 0 211.305 1.180 10 0 BDAERO C=Cn1cc(C[NH2+][C@H](C)[C@H]2CCCO2)cn1 ZINC000194344449 385430529 /nfs/dbraw/zinc/43/05/29/385430529.db2.gz XPTLYAROLRUGIN-ZYHUDNBSSA-N 1 0 221.304 1.641 10 0 BDAERO [NH3+]Cc1nc(F)ccc1Br ZINC000156749408 385466431 /nfs/dbraw/zinc/46/64/31/385466431.db2.gz AEIDRSJQJTZHAX-UHFFFAOYSA-N 1 0 205.030 1.442 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2)CN1C ZINC000156635205 385461551 /nfs/dbraw/zinc/46/15/51/385461551.db2.gz CCYIGRAOZYNEAU-VWYCJHECSA-N 1 0 214.378 1.564 10 0 BDAERO [NH3+][C@@H]1CCCN(c2ncc(Cl)s2)C1 ZINC000642986941 385493319 /nfs/dbraw/zinc/49/33/19/385493319.db2.gz RDSMXFGVAIAZCS-ZCFIWIBFSA-N 1 0 217.725 1.724 10 0 BDAERO Cc1noc2ncnc(NCCC[NH2+]C(C)C)c12 ZINC000643003109 385500673 /nfs/dbraw/zinc/50/06/73/385500673.db2.gz IRFHKCFUTPQILQ-UHFFFAOYSA-N 1 0 249.318 1.726 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC2CCCC2)C1 ZINC000309257252 385502273 /nfs/dbraw/zinc/50/22/73/385502273.db2.gz GVAAXDSAMDOTOC-STQMWFEESA-N 1 0 227.348 1.648 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CC2CCCCC2)C1 ZINC000309289125 385516190 /nfs/dbraw/zinc/51/61/90/385516190.db2.gz PPASRKRZABOZHW-STQMWFEESA-N 1 0 227.348 1.648 10 0 BDAERO CC[C@@H]1CN(c2ncnc3[nH]ccc32)CC[C@H]1[NH3+] ZINC000643033510 385535493 /nfs/dbraw/zinc/53/54/93/385535493.db2.gz ODFACMCWKKFNKL-MWLCHTKSSA-N 1 0 245.330 1.522 10 0 BDAERO COc1cc(C)nc(N2CCC(C)([NH3+])CC2)n1 ZINC000643029288 385524530 /nfs/dbraw/zinc/52/45/30/385524530.db2.gz NZWNHVHGMXRCAZ-UHFFFAOYSA-N 1 0 236.319 1.111 10 0 BDAERO Cc1cnc(N2CCC(C[NH3+])CC2)s1 ZINC000107213397 385556527 /nfs/dbraw/zinc/55/65/27/385556527.db2.gz ONOMJZQBBOKQMW-UHFFFAOYSA-N 1 0 211.334 1.627 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000181124281 385564463 /nfs/dbraw/zinc/56/44/63/385564463.db2.gz PGCWQZXZNNKWQX-GFCCVEGCSA-N 1 0 234.347 1.787 10 0 BDAERO Cc1nn(C)cc1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000306713319 385596788 /nfs/dbraw/zinc/59/67/88/385596788.db2.gz VGMRQXCJXMVDDN-IUCAKERBSA-N 1 0 207.277 1.039 10 0 BDAERO CCSCC[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000308550294 385579435 /nfs/dbraw/zinc/57/94/35/385579435.db2.gz XFLDXOBCRVUNQY-WDEREUQCSA-N 1 0 216.394 1.669 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)[C@@H]1CCCO1 ZINC000309446935 385586885 /nfs/dbraw/zinc/58/68/85/385586885.db2.gz PGIFTYGOMDDROI-RVMXOQNASA-N 1 0 227.348 1.695 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC1 ZINC000107833044 385587068 /nfs/dbraw/zinc/58/70/68/385587068.db2.gz ABBOMMNJORBABP-LLVKDONJSA-N 1 0 227.352 1.424 10 0 BDAERO CO[C@H](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000309460600 385592652 /nfs/dbraw/zinc/59/26/52/385592652.db2.gz NTPBSNYRINXOJY-WRWGMCAJSA-N 1 0 227.348 1.815 10 0 BDAERO C[NH+](C)CCSC[C@H](O)C(C)(C)C ZINC000308126068 385616815 /nfs/dbraw/zinc/61/68/15/385616815.db2.gz AXRNSISEQIQOIO-VIFPVBQESA-N 1 0 205.367 1.688 10 0 BDAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1cccs1 ZINC000383831620 385665199 /nfs/dbraw/zinc/66/51/99/385665199.db2.gz LZSOOHQKHRQAII-ZJUUUORDSA-N 1 0 228.336 1.880 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000309511754 385647240 /nfs/dbraw/zinc/64/72/40/385647240.db2.gz XMTQFLRSRGQOLN-CYBMUJFWSA-N 1 0 229.364 1.894 10 0 BDAERO C(N[C@H]1CC[NH2+]C1)[C@H]1CCCSC1 ZINC000307028910 385649689 /nfs/dbraw/zinc/64/96/89/385649689.db2.gz BPFRSWJQHDPSAG-ZJUUUORDSA-N 1 0 200.351 1.081 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2cccc(N)c2)CC1 ZINC000616594272 385706086 /nfs/dbraw/zinc/70/60/86/385706086.db2.gz PNEPQLBBAKGYGK-GFCCVEGCSA-N 1 0 206.289 1.662 10 0 BDAERO Cc1c(CN2CC[C@H]([NH3+])C[C@H]2C)cnn1C ZINC000228338270 385667948 /nfs/dbraw/zinc/66/79/48/385667948.db2.gz TXTSTPCJCKTJFC-SKDRFNHKSA-N 1 0 222.336 1.040 10 0 BDAERO C[C@H](CCCC[NH3+])Nc1ncc(F)cn1 ZINC000336684181 385671210 /nfs/dbraw/zinc/67/12/10/385671210.db2.gz KDGGGWUMMGKVTC-MRVPVSSYSA-N 1 0 212.272 1.545 10 0 BDAERO C[C@@H]1CC[C@H](NC(=O)C2C[NH2+]C2)c2ccccc21 ZINC000263337218 385832013 /nfs/dbraw/zinc/83/20/13/385832013.db2.gz WOXADFXFLDZACF-YGRLFVJLSA-N 1 0 244.338 1.961 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@@H]1CCOC1 ZINC000336706759 385792153 /nfs/dbraw/zinc/79/21/53/385792153.db2.gz RNMVMZSGTFYFBM-MNOVXSKESA-N 1 0 215.337 1.410 10 0 BDAERO C[NH2+][C@@H](C)CNCc1ncc(Cl)s1 ZINC000414962481 385894312 /nfs/dbraw/zinc/89/43/12/385894312.db2.gz ABVVTEGNNYGSJL-LURJTMIESA-N 1 0 219.741 1.494 10 0 BDAERO Cc1nc(C2([NH3+])CSC2)sc1C ZINC000307095180 385905298 /nfs/dbraw/zinc/90/52/98/385905298.db2.gz UDDLVSCDISLISR-UHFFFAOYSA-N 1 0 200.332 1.661 10 0 BDAERO Cc1cn[nH]c1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000294910247 385915046 /nfs/dbraw/zinc/91/50/46/385915046.db2.gz DXULGRZTILLXJL-KOLCDFICSA-N 1 0 209.293 1.063 10 0 BDAERO [NH3+]CCN1CCOC[C@H]1c1cccc(Cl)c1 ZINC000616640749 385864335 /nfs/dbraw/zinc/86/43/35/385864335.db2.gz MRXBZDBUSKUYFX-LBPRGKRZSA-N 1 0 240.734 1.672 10 0 BDAERO CC(C)c1nsc(N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000308827860 385877999 /nfs/dbraw/zinc/87/79/99/385877999.db2.gz IKHLFFGJPDWLMG-HTQZYQBOSA-N 1 0 226.349 1.587 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(Cl)nn1 ZINC000307132599 385937742 /nfs/dbraw/zinc/93/77/42/385937742.db2.gz HCNYJVDYFSVCIY-RITPCOANSA-N 1 0 200.673 1.278 10 0 BDAERO c1ccc2c(c1)CC(CN[C@H]1CC[NH2+]C1)C2 ZINC000335045005 385939568 /nfs/dbraw/zinc/93/95/68/385939568.db2.gz WZUZBTMAPPGTDW-AWEZNQCLSA-N 1 0 216.328 1.353 10 0 BDAERO Cc1nnc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)o1 ZINC000113270032 386008916 /nfs/dbraw/zinc/00/89/16/386008916.db2.gz TTYQQECEOBDPHW-GXSJLCMTSA-N 1 0 236.319 1.047 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@]1(O)C(F)(F)Br ZINC000307187573 386010650 /nfs/dbraw/zinc/01/06/50/386010650.db2.gz WDCIJUQSPJWPAF-NTSWFWBYSA-N 1 0 244.079 1.477 10 0 BDAERO CCn1nccc1-c1cnn(CCC[NH3+])c1 ZINC000309465712 386013033 /nfs/dbraw/zinc/01/30/33/386013033.db2.gz VTZOOFTWPFNMTQ-UHFFFAOYSA-N 1 0 219.292 1.115 10 0 BDAERO C[C@H](CNc1ccnc(Cl)n1)[NH+](C)C ZINC000051850290 386031844 /nfs/dbraw/zinc/03/18/44/386031844.db2.gz XDTLFVVVTICOST-SSDOTTSWSA-N 1 0 214.700 1.492 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)[C@H]1C ZINC000336773547 386106867 /nfs/dbraw/zinc/10/68/67/386106867.db2.gz YWUKAMIAYOGPIQ-QGKZMRNZSA-N 1 0 210.321 1.288 10 0 BDAERO C[C@@H]([NH3+])Cc1nc2c(s1)CSCC2 ZINC000054161078 386115681 /nfs/dbraw/zinc/11/56/81/386115681.db2.gz XSCOQEDJFFVZLQ-ZCFIWIBFSA-N 1 0 214.359 1.822 10 0 BDAERO CC(C)(C)c1cc(N2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000129681050 386096625 /nfs/dbraw/zinc/09/66/25/386096625.db2.gz AJAJZFWYEJJOGP-SECBINFHSA-N 1 0 222.336 1.635 10 0 BDAERO Cc1cnccc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000643295749 386147854 /nfs/dbraw/zinc/14/78/54/386147854.db2.gz ONGPZLILSDMQPJ-AAEUAGOBSA-N 1 0 220.316 1.735 10 0 BDAERO Cc1cc(C(C)C)nc(N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000310275541 386173326 /nfs/dbraw/zinc/17/33/26/386173326.db2.gz JMIPTACYDINRRP-MNOVXSKESA-N 1 0 234.347 1.834 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1c1ncnc2c1CCCC2 ZINC000310372903 386180348 /nfs/dbraw/zinc/18/03/48/386180348.db2.gz OJTAHJHAIJEWHN-MWLCHTKSSA-N 1 0 232.331 1.281 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1S[C@@H]1CCOC1 ZINC000575575872 386184180 /nfs/dbraw/zinc/18/41/80/386184180.db2.gz OAMUAVZMOCSCSJ-OPRDCNLKSA-N 1 0 201.335 1.778 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCC[C@H]1O ZINC000310466223 386187192 /nfs/dbraw/zinc/18/71/92/386187192.db2.gz ZMWDMTZCFNVYJC-XJFOESAGSA-N 1 0 241.375 1.773 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)COC ZINC000026513591 386128937 /nfs/dbraw/zinc/12/89/37/386128937.db2.gz PPMLWBXRWMMXBC-ZJUUUORDSA-N 1 0 230.352 1.304 10 0 BDAERO [NH3+]C1(Cc2cccc(Br)c2)COC1 ZINC000575581860 386239921 /nfs/dbraw/zinc/23/99/21/386239921.db2.gz ZAEYYHRVQBYULF-UHFFFAOYSA-N 1 0 242.116 1.719 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000417554984 386361048 /nfs/dbraw/zinc/36/10/48/386361048.db2.gz LBJYSYYSXCSIMZ-DCAQKATOSA-N 1 0 227.352 1.472 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000417555815 386367159 /nfs/dbraw/zinc/36/71/59/386367159.db2.gz MVLUZCMJINVPGV-FIQHERPVSA-N 1 0 239.363 1.696 10 0 BDAERO C[N@@H+]1CC[C@@H](Cn2ccc(Br)n2)C1 ZINC000575597031 386384286 /nfs/dbraw/zinc/38/42/86/386384286.db2.gz WMMBXSSQVQHCFW-MRVPVSSYSA-N 1 0 244.136 1.597 10 0 BDAERO C[C@@H]1C[C@@H](C)N(C(=O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000306873292 386327754 /nfs/dbraw/zinc/32/77/54/386327754.db2.gz XCCUCGHHVRPRNX-PRJMDXOYSA-N 1 0 238.253 1.381 10 0 BDAERO CN(Cc1ccccc1)C[C@@H]([NH3+])C1CC1 ZINC000068893714 386328216 /nfs/dbraw/zinc/32/82/16/386328216.db2.gz QKMULRJCDUFKMK-CYBMUJFWSA-N 1 0 204.317 1.856 10 0 BDAERO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C(C)(C)C ZINC000399185944 386444826 /nfs/dbraw/zinc/44/48/26/386444826.db2.gz TXIWPYWBBNBDQQ-OPRDCNLKSA-N 1 0 212.337 1.474 10 0 BDAERO COC(C)(C)CCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000336694515 386389111 /nfs/dbraw/zinc/38/91/11/386389111.db2.gz LMHOZIDBIOWNPA-CHWSQXEVSA-N 1 0 240.391 1.970 10 0 BDAERO Cc1nc(C)c(C[N@@H+]2CC[C@H](CCO)C2)s1 ZINC000336702338 386408670 /nfs/dbraw/zinc/40/86/70/386408670.db2.gz NKDIWMVYFHFIBR-LLVKDONJSA-N 1 0 240.372 1.964 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccncc1 ZINC000521399268 386424589 /nfs/dbraw/zinc/42/45/89/386424589.db2.gz XZKKWURXJMRTPL-GWCFXTLKSA-N 1 0 231.299 1.092 10 0 BDAERO C[N@H+](CCO)C[C@H]1CCCCC1(F)F ZINC000327499221 386428184 /nfs/dbraw/zinc/42/81/84/386428184.db2.gz OXSKTSUZJMYNIO-SECBINFHSA-N 1 0 207.264 1.736 10 0 BDAERO CCC1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399283247 386481320 /nfs/dbraw/zinc/48/13/20/386481320.db2.gz JRVXCRIYCIFYJT-UHFFFAOYSA-N 1 0 224.348 1.681 10 0 BDAERO CC[C@H]([NH3+])CNc1ccncc1Br ZINC000165050884 386503104 /nfs/dbraw/zinc/50/31/04/386503104.db2.gz CHUBADJCUBZSJI-ZETCQYMHSA-N 1 0 244.136 1.993 10 0 BDAERO COC[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C(C)C ZINC000227843512 386515883 /nfs/dbraw/zinc/51/58/83/386515883.db2.gz RTSIJLWGPNTYID-GMTAPVOTSA-N 1 0 201.310 1.424 10 0 BDAERO C[NH+](C)[C@@H]1CCC[C@](N)(c2ncc[nH]2)C1 ZINC000521401298 386454297 /nfs/dbraw/zinc/45/42/97/386454297.db2.gz JILWGYSCRUUVRA-MWLCHTKSSA-N 1 0 208.309 1.068 10 0 BDAERO C[C@H](C[N@H+](C)CC(C)(C)O)C(=O)OC(C)(C)C ZINC000320049035 386463116 /nfs/dbraw/zinc/46/31/16/386463116.db2.gz RDMWQBDCAPPJSS-SNVBAGLBSA-N 1 0 245.363 1.667 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(F)(F)F ZINC000307254066 386598808 /nfs/dbraw/zinc/59/88/08/386598808.db2.gz WTHCGPYFQLEOQU-SFYZADRCSA-N 1 0 211.227 1.784 10 0 BDAERO [NH3+][C@H]1CCc2cc(Br)cnc21 ZINC000095803671 386547297 /nfs/dbraw/zinc/54/72/97/386547297.db2.gz XOOHYQNMUBSEIR-ZETCQYMHSA-N 1 0 213.078 1.790 10 0 BDAERO COCC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000519767291 386552447 /nfs/dbraw/zinc/55/24/47/386552447.db2.gz YKIJJXBEVXQYLO-YNEHKIRRSA-N 1 0 244.379 1.016 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)CCCO1 ZINC000061920664 386555296 /nfs/dbraw/zinc/55/52/96/386555296.db2.gz HBQKNRWLWFJBBC-UTUOFQBUSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@H](CN1CCO[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000415137635 386632866 /nfs/dbraw/zinc/63/28/66/386632866.db2.gz GEDUSQLYRJZTRM-VHDGCEQUSA-N 1 0 246.354 1.463 10 0 BDAERO C[C@@H]1SCC[C@H]1N1CC[NH2+]C[C@H]1C ZINC000307429537 386650019 /nfs/dbraw/zinc/65/00/19/386650019.db2.gz VINZSECNKMYVST-KXUCPTDWSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1nnsc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 ZINC000306681341 386665522 /nfs/dbraw/zinc/66/55/22/386665522.db2.gz NUNBXZYHJDHOOT-HRDYMLBCSA-N 1 0 209.318 1.735 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C)[C@H]1C[C@H]1C ZINC000321067579 386675791 /nfs/dbraw/zinc/67/57/91/386675791.db2.gz JZBBNQWCESETJB-LDMBFOFVSA-N 1 0 245.388 1.586 10 0 BDAERO [NH3+]C1(C(=O)Nc2ncc(Cl)s2)CC1 ZINC000307492884 386686701 /nfs/dbraw/zinc/68/67/01/386686701.db2.gz QHZUSKRNRQAVOB-UHFFFAOYSA-N 1 0 217.681 1.226 10 0 BDAERO CC[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(=O)OC ZINC000192857335 386689732 /nfs/dbraw/zinc/68/97/32/386689732.db2.gz QOTBESDVQZGVOH-SDDRHHMPSA-N 1 0 242.363 1.256 10 0 BDAERO Cc1nn(C)c(C)c1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000520565640 386694672 /nfs/dbraw/zinc/69/46/72/386694672.db2.gz RDGZWUMLCNSAEA-CABZTGNLSA-N 1 0 236.363 1.837 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@]12NC(C)(C)CS2 ZINC000307506215 386699416 /nfs/dbraw/zinc/69/94/16/386699416.db2.gz QLYVNHWPYVNYGW-WPRPVWTQSA-N 1 0 200.351 1.570 10 0 BDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1cocn1 ZINC000192335900 386765913 /nfs/dbraw/zinc/76/59/13/386765913.db2.gz XRALFRDAQNIUAV-CYBMUJFWSA-N 1 0 237.347 1.885 10 0 BDAERO O=C1NCCC[C@@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334639812 386781195 /nfs/dbraw/zinc/78/11/95/386781195.db2.gz NQBVPNIZWDDCMZ-NSHDSACASA-N 1 0 222.332 1.577 10 0 BDAERO CCCn1ncnc1CN1CCC[C@H](O)[C@@H]1C ZINC000394989823 386788291 /nfs/dbraw/zinc/78/82/91/386788291.db2.gz DPANYRQWAODIBQ-QWRGUYRKSA-N 1 0 238.335 1.033 10 0 BDAERO C[C@@H](c1csnn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000398396794 386820700 /nfs/dbraw/zinc/82/07/00/386820700.db2.gz ZIQORGNEYQQFAY-VHSXEESVSA-N 1 0 238.360 1.379 10 0 BDAERO Fc1cccc(F)c1CNC[C@@H]1CC[NH2+]C1 ZINC000398384589 386815261 /nfs/dbraw/zinc/81/52/61/386815261.db2.gz VXWVJVPAYOQDLG-SECBINFHSA-N 1 0 226.270 1.664 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C1CCN(C2CC2)CC1 ZINC000324260742 386833986 /nfs/dbraw/zinc/83/39/86/386833986.db2.gz HBAXYQATGQQBQE-ZDUSSCGKSA-N 1 0 240.391 1.610 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H](C)CCCOC)C1 ZINC000395429360 386834609 /nfs/dbraw/zinc/83/46/09/386834609.db2.gz KLZMMNTXWMRJIH-VXGBXAGGSA-N 1 0 214.353 1.485 10 0 BDAERO Cc1cccc(C[N@@H+]2CC[C@@H](n3ccnn3)C2)n1 ZINC000585380207 386852811 /nfs/dbraw/zinc/85/28/11/386852811.db2.gz UFQDKJRVKPLTKU-CYBMUJFWSA-N 1 0 243.314 1.429 10 0 BDAERO CN(Cc1ncnn1C)c1nc2ccccc2[nH]1 ZINC000301852670 386885345 /nfs/dbraw/zinc/88/53/45/386885345.db2.gz BTIBYJUSAYUTJT-UHFFFAOYSA-N 1 0 242.286 1.328 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCCn3ccnc3)C[C@H]2C1 ZINC000398783185 386990110 /nfs/dbraw/zinc/99/01/10/386990110.db2.gz NYCVADWAFXAJRS-BFHYXJOUSA-N 1 0 249.358 1.366 10 0 BDAERO C1C[C@@H](S[C@H]2CCCC[NH2+]C2)CO1 ZINC000575575261 386994054 /nfs/dbraw/zinc/99/40/54/386994054.db2.gz FBBHUJCWBUCOON-VHSXEESVSA-N 1 0 201.335 1.651 10 0 BDAERO CC[C@H]1CS[C@@]2(CCC[NH2+]CC2)N1 ZINC000575575810 387005318 /nfs/dbraw/zinc/00/53/18/387005318.db2.gz NTCSWBWHMKXVBZ-VHSXEESVSA-N 1 0 200.351 1.571 10 0 BDAERO C[C@@H]1CCS[C@]2(CCC[NH2+]CC2)N1 ZINC000575577374 387035392 /nfs/dbraw/zinc/03/53/92/387035392.db2.gz XABWOSJVWHCABH-ZJUUUORDSA-N 1 0 200.351 1.571 10 0 BDAERO [NH3+][C@H]1CCO[C@H]1c1ccncc1Br ZINC000575583062 387061435 /nfs/dbraw/zinc/06/14/35/387061435.db2.gz ITVWXPDRCVUSCT-IUCAKERBSA-N 1 0 243.104 1.633 10 0 BDAERO [NH3+][C@H]1C[C@@H]1c1ccncc1Br ZINC000575584220 387062556 /nfs/dbraw/zinc/06/25/56/387062556.db2.gz OOSPLQFDEQHYLR-SVRRBLITSA-N 1 0 213.078 1.659 10 0 BDAERO [NH3+][C@@H]1C[C@H]1c1ccncc1Br ZINC000575584219 387063021 /nfs/dbraw/zinc/06/30/21/387063021.db2.gz OOSPLQFDEQHYLR-POYBYMJQSA-N 1 0 213.078 1.659 10 0 BDAERO CC(C)([NH3+])[C@@H](O)c1ccncc1Br ZINC000575577089 387026256 /nfs/dbraw/zinc/02/62/56/387026256.db2.gz DWXXQGMTHUNFQG-QMMMGPOBSA-N 1 0 245.120 1.615 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]CCOC)C12CCOCC2 ZINC000186200707 387077050 /nfs/dbraw/zinc/07/70/50/387077050.db2.gz RSMYMMVWVXNSTG-NEPJUHHUSA-N 1 0 243.347 1.197 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cnccn2)C1 ZINC000246381072 387080693 /nfs/dbraw/zinc/08/06/93/387080693.db2.gz KBAXKGFLTUOIKY-SGMGOOAPSA-N 1 0 248.374 1.856 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1c1nc(C2CC2)no1 ZINC000071001040 387087554 /nfs/dbraw/zinc/08/75/54/387087554.db2.gz SYHZGHIYBCXHEG-RKDXNWHRSA-N 1 0 207.277 1.932 10 0 BDAERO [NH3+]Cc1cnc([C@H]2CC2(Cl)Cl)o1 ZINC000575468937 387094565 /nfs/dbraw/zinc/09/45/65/387094565.db2.gz XWYMNPJIDKPAEA-RXMQYKEDSA-N 1 0 207.060 1.795 10 0 BDAERO Fc1cc(F)c(CN[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000335009280 387104667 /nfs/dbraw/zinc/10/46/67/387104667.db2.gz VJXFXMWPVFMJPI-MRVPVSSYSA-N 1 0 230.233 1.555 10 0 BDAERO [NH3+][C@H]1COC[C@H]1c1cscc1Br ZINC000575472504 387105819 /nfs/dbraw/zinc/10/58/19/387105819.db2.gz MGIIUNFNLSVYFV-XNCJUZBTSA-N 1 0 248.145 1.952 10 0 BDAERO [NH3+][C@@H]1COC[C@@H]1c1ccc(Cl)s1 ZINC000575471280 387106026 /nfs/dbraw/zinc/10/60/26/387106026.db2.gz QXZWWWXVYOEPIR-NTSWFWBYSA-N 1 0 203.694 1.843 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCC[C@@H](C)C1 ZINC000335025961 387118397 /nfs/dbraw/zinc/11/83/97/387118397.db2.gz WVYXKHPVPJFFPP-MNOVXSKESA-N 1 0 212.337 1.762 10 0 BDAERO COCC[NH+](CCOC)[C@H](C)C(C)C ZINC000119370669 387121503 /nfs/dbraw/zinc/12/15/03/387121503.db2.gz NVUXZVYQLDHLRA-LLVKDONJSA-N 1 0 203.326 1.626 10 0 BDAERO CS(=O)(=O)c1ccc([C@@H]([NH3+])CCF)cc1 ZINC000575439213 387122368 /nfs/dbraw/zinc/12/23/68/387122368.db2.gz QYUWFFAFMUYSEF-JTQLQIEISA-N 1 0 231.292 1.450 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336293650 387123426 /nfs/dbraw/zinc/12/34/26/387123426.db2.gz WMUHLZGXUQNCCF-OLZOCXBDSA-N 1 0 248.374 1.790 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCC(C)C)C1 ZINC000057790730 387146559 /nfs/dbraw/zinc/14/65/59/387146559.db2.gz MBNJLEYPXMAFEF-GFCCVEGCSA-N 1 0 241.379 1.816 10 0 BDAERO CS(=O)(=O)c1cccc(Cl)c1C[NH3+] ZINC000157743290 387158479 /nfs/dbraw/zinc/15/84/79/387158479.db2.gz XTWFHYBKSYWZLA-UHFFFAOYSA-N 1 0 219.693 1.202 10 0 BDAERO Cc1ncc2c(n1)[C@H]1CCCC[C@H]1[NH2+]C2 ZINC000536952105 387165295 /nfs/dbraw/zinc/16/52/95/387165295.db2.gz GRQBIFADAKDGJT-WDEREUQCSA-N 1 0 203.289 1.914 10 0 BDAERO CC[C@@H]1COC[C@@]12[NH2+][C@H](C)CCS2 ZINC000575481151 387173936 /nfs/dbraw/zinc/17/39/36/387173936.db2.gz NCANLMVQRFCUPV-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO Cc1cc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)n[nH]1 ZINC000187270592 387183870 /nfs/dbraw/zinc/18/38/70/387183870.db2.gz QPAZWGFVFNBQQL-CYBMUJFWSA-N 1 0 246.358 1.949 10 0 BDAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000424620797 387222375 /nfs/dbraw/zinc/22/23/75/387222375.db2.gz ORJYKFANGJRMKG-AEJSXWLSSA-N 1 0 217.378 1.877 10 0 BDAERO Cc1nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c[nH]1 ZINC000265085113 387228044 /nfs/dbraw/zinc/22/80/44/387228044.db2.gz RHVSTJRCLWXDQP-ONGXEEELSA-N 1 0 248.330 1.027 10 0 BDAERO CCC[C@H](C(=O)N[C@H](C)[C@@H]1CCCO1)[NH+](C)C ZINC000161556433 387245775 /nfs/dbraw/zinc/24/57/75/387245775.db2.gz MYXUDWCLRPIDHI-UTUOFQBUSA-N 1 0 242.363 1.400 10 0 BDAERO C[C@H]1C[NH2+]CCN1CC1SCCS1 ZINC000575486738 387247868 /nfs/dbraw/zinc/24/78/68/387247868.db2.gz GVARDANTQBJEPO-QMMMGPOBSA-N 1 0 218.391 1.086 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2COC[C@@H]2C)=[NH+]1 ZINC000575484961 387251784 /nfs/dbraw/zinc/25/17/84/387251784.db2.gz KLQFJAVFZCHBNG-XLPZGREQSA-N 1 0 200.307 1.102 10 0 BDAERO CC[C@H]1COC[C@H]1NC1=[NH+]CCS1 ZINC000575484351 387199640 /nfs/dbraw/zinc/19/96/40/387199640.db2.gz IGIPNCLVKVDVEO-JGVFFNPUSA-N 1 0 200.307 1.104 10 0 BDAERO Cc1c(C[NH2+]C[C@](C)(O)C(C)C)cnn1C ZINC000229810220 387200063 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388027937 /nfs/dbraw/zinc/02/79/37/388027937.db2.gz UJYMCSMVJPYRTK-GXTWGEPZSA-N 1 0 235.375 1.843 10 0 BDAERO COC(=O)NC1(C[NH3+])CCCCCC1 ZINC000070626851 388114285 /nfs/dbraw/zinc/11/42/85/388114285.db2.gz GPPOAVHXSGPLOM-UHFFFAOYSA-N 1 0 200.282 1.394 10 0 BDAERO Cc1noc(C)c1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000083551006 388055743 /nfs/dbraw/zinc/05/57/43/388055743.db2.gz ZTZQJLZOYYUVNY-GXFFZTMASA-N 1 0 249.358 1.960 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCCCO ZINC000083705080 388060070 /nfs/dbraw/zinc/06/00/70/388060070.db2.gz NTCAFKQHCAWLEP-ZIAGYGMSSA-N 1 0 240.391 1.708 10 0 BDAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H]1CCCO1 ZINC000083704490 388060931 /nfs/dbraw/zinc/06/09/31/388060931.db2.gz QCNBPOUUNRILDY-MCIONIFRSA-N 1 0 238.375 1.724 10 0 BDAERO O=C(C1CC[NH2+]CC1)N1CCC[C@H]1c1ccco1 ZINC000083906150 388064588 /nfs/dbraw/zinc/06/45/88/388064588.db2.gz DCTQHGTUUGKCIA-LBPRGKRZSA-N 1 0 248.326 1.943 10 0 BDAERO Cc1cccc2c1N(C(=O)[C@H]1CCC[NH2+]C1)CC2 ZINC000083889634 388065561 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/nfs/dbraw/zinc/11/12/27/388111227.db2.gz VTMJPONLCLXPRP-JHJVBQTASA-N 1 0 224.348 1.070 10 0 BDAERO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)nn1 ZINC000646089376 388140289 /nfs/dbraw/zinc/14/02/89/388140289.db2.gz PXKKICZQQGSXLM-MVWJERBFSA-N 1 0 233.315 1.763 10 0 BDAERO COCC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000228579998 388255280 /nfs/dbraw/zinc/25/52/80/388255280.db2.gz RMWSNOZLBFVQSJ-GHMZBOCLSA-N 1 0 229.320 1.296 10 0 BDAERO Cc1ccc(C(C)(C)C)c(OC[C@@H](O)C[NH3+])c1 ZINC000008028931 388347102 /nfs/dbraw/zinc/34/71/02/388347102.db2.gz FVYGCOGTTSXFQZ-NSHDSACASA-N 1 0 237.343 1.991 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@@H]2CNCCS2)C1 ZINC000575523949 388359079 /nfs/dbraw/zinc/35/90/79/388359079.db2.gz ZRYHGSOSBPGGFU-ZJUUUORDSA-N 1 0 200.351 1.033 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000308288105 388359525 /nfs/dbraw/zinc/35/95/25/388359525.db2.gz ADEIMBLSNILZTF-POYBYMJQSA-N 1 0 201.653 1.403 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000290357437 388366318 /nfs/dbraw/zinc/36/63/18/388366318.db2.gz MLPRLBUDLZMUQF-HTQZYQBOSA-N 1 0 240.328 1.687 10 0 BDAERO C[C@@H]1CN(C(=O)CC2CCSCC2)C[C@@H]1[NH3+] ZINC000235324609 388367367 /nfs/dbraw/zinc/36/73/67/388367367.db2.gz KBOBDEXJDBBPFQ-KOLCDFICSA-N 1 0 242.388 1.325 10 0 BDAERO Cn1nccc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000305734864 388374030 /nfs/dbraw/zinc/37/40/30/388374030.db2.gz PCRXUORBVVUEDD-GXTWGEPZSA-N 1 0 249.358 1.547 10 0 BDAERO NC1=[NH+][C@@H](c2ccc(Br)o2)COC1 ZINC000306717151 388386823 /nfs/dbraw/zinc/38/68/23/388386823.db2.gz GKGKFBOVLAXBCZ-RXMQYKEDSA-N 1 0 245.076 1.471 10 0 BDAERO C[C@@H]([NH3+])c1nc2c(s1)CSCC2 ZINC000042335322 388443462 /nfs/dbraw/zinc/44/34/62/388443462.db2.gz OMXLQIVZIKYUNE-RXMQYKEDSA-N 1 0 200.332 1.952 10 0 BDAERO C[C@@](O)(c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000071518304 388444625 /nfs/dbraw/zinc/44/46/25/388444625.db2.gz OJBZEZWCQGJAJF-KOLCDFICSA-N 1 0 211.330 1.955 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)[C@@H]1CC1(C)C ZINC000397573967 388480684 /nfs/dbraw/zinc/48/06/84/388480684.db2.gz FOIPSSPLYJQLDF-LNFKQOIKSA-N 1 0 213.321 1.160 10 0 BDAERO Cc1cc(C[N@H+]2CCC[C@H](O)[C@@H]2C)n(C)n1 ZINC000335598100 388451322 /nfs/dbraw/zinc/45/13/22/388451322.db2.gz TXXPROJKLAKAGS-JQWIXIFHSA-N 1 0 223.320 1.074 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](N=c2[nH]c3ccccc3[nH]2)C1 ZINC000335578711 388451979 /nfs/dbraw/zinc/45/19/79/388451979.db2.gz GCXZCVOTFOEJEK-UWVGGRQHSA-N 1 0 230.315 1.524 10 0 BDAERO C[C@@]1(CNC(=O)[C@]2(C)CCCC[NH2+]2)CCOC1 ZINC000335801322 388454297 /nfs/dbraw/zinc/45/42/97/388454297.db2.gz KOSKGMSTOTWISG-STQMWFEESA-N 1 0 240.347 1.061 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC(=O)O2)[C@H]1C ZINC000309598910 388458860 /nfs/dbraw/zinc/45/88/60/388458860.db2.gz JIZUAFNDASCGMF-YTWAJWBKSA-N 1 0 226.320 1.509 10 0 BDAERO C[C@H]1[C@@H](O)CCCN1Cc1nccn1C(F)F ZINC000295062617 388407318 /nfs/dbraw/zinc/40/73/18/388407318.db2.gz QKSQPFGYQQRISS-IUCAKERBSA-N 1 0 245.273 1.623 10 0 BDAERO C[NH2+]Cc1cc(-c2cnccn2)cs1 ZINC000069048767 388412715 /nfs/dbraw/zinc/41/27/15/388412715.db2.gz WXIQDDNRKLDOEI-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCOc1ccccc1 ZINC000296110338 388416669 /nfs/dbraw/zinc/41/66/69/388416669.db2.gz IHCSDDYBFJQFAS-GXTWGEPZSA-N 1 0 235.327 1.911 10 0 BDAERO [NH3+]CCc1nnc(-c2cccc(F)c2)s1 ZINC000040541849 388420871 /nfs/dbraw/zinc/42/08/71/388420871.db2.gz AFWZSHXLQKBSOI-UHFFFAOYSA-N 1 0 223.276 1.845 10 0 BDAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000245544968 388423399 /nfs/dbraw/zinc/42/33/99/388423399.db2.gz MLBLPAFLOBRKAB-IJLUTSLNSA-N 1 0 241.331 1.175 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000573177099 388427937 /nfs/dbraw/zinc/42/79/37/388427937.db2.gz YLGYMAYJOCQAOD-UPJWGTAASA-N 1 0 243.347 1.027 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCN(C2CCC2)CC1 ZINC000336887734 388429196 /nfs/dbraw/zinc/42/91/96/388429196.db2.gz DMIJCQKSXULNHX-ZDUSSCGKSA-N 1 0 226.364 1.318 10 0 BDAERO C[NH2+][C@H]1CC[S@@](=O)c2c(C)cccc21 ZINC000040988665 388429946 /nfs/dbraw/zinc/42/99/46/388429946.db2.gz PKFVIOCJBDXQJL-HZMBPMFUSA-N 1 0 209.314 1.767 10 0 BDAERO C[NH2+][C@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976349 388430022 /nfs/dbraw/zinc/43/00/22/388430022.db2.gz PZHHNGUHASSHMK-LKFCYVNXSA-N 1 0 213.277 1.598 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)[C@H]2C[C@@H]2C)c1 ZINC000322291104 388430309 /nfs/dbraw/zinc/43/03/09/388430309.db2.gz CDXDYBIPXZQBHQ-TUAOUCFPSA-N 1 0 207.321 1.826 10 0 BDAERO C[C@@H]1Oc2ccccc2C=C1[C@H](C[NH3+])N(C)C ZINC000041166620 388431694 /nfs/dbraw/zinc/43/16/94/388431694.db2.gz NEQZSYHZFHWQLS-GWCFXTLKSA-N 1 0 232.327 1.740 10 0 BDAERO [NH3+]Cc1ccc(C(=O)c2ccccc2)o1 ZINC000041210572 388433208 /nfs/dbraw/zinc/43/32/08/388433208.db2.gz ZTPSRIKOZYBPBL-UHFFFAOYSA-N 1 0 201.225 1.969 10 0 BDAERO Cc1cccc(-c2cc(N3CC[C@@H]([NH3+])C3)n[nH]2)c1 ZINC000070460244 388437392 /nfs/dbraw/zinc/43/73/92/388437392.db2.gz QVLWVMXJBNZYKA-GFCCVEGCSA-N 1 0 242.326 1.923 10 0 BDAERO Cc1cc(C(=O)N(CCC[NH3+])C2CC2)c(C)o1 ZINC000036731418 177744822 /nfs/dbraw/zinc/74/48/22/177744822.db2.gz XKRBTJBSDCKMJX-UHFFFAOYSA-N 1 0 236.315 1.850 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C)[C@]12CCCO2 ZINC000378676691 388482839 /nfs/dbraw/zinc/48/28/39/388482839.db2.gz PYVHMERJVFZCPB-KSSYENDESA-N 1 0 225.332 1.711 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397620454 388484473 /nfs/dbraw/zinc/48/44/73/388484473.db2.gz GORTXJCMVNWHIP-HHHUOAJASA-N 1 0 222.332 1.289 10 0 BDAERO CC(C)C1([NH2+]CC(=O)NCC2CCC2)CC1 ZINC000339514563 388484820 /nfs/dbraw/zinc/48/48/20/388484820.db2.gz XUDGSBDFBDOIFG-UHFFFAOYSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)C1([NH2+]CC(=O)NC(C)(C)C)CC1 ZINC000339513181 388485133 /nfs/dbraw/zinc/48/51/33/388485133.db2.gz DVHPNXUJKFESHL-UHFFFAOYSA-N 1 0 212.337 1.679 10 0 BDAERO CCOC[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339517937 388485384 /nfs/dbraw/zinc/48/53/84/388485384.db2.gz UAVFQJQPEFMWFL-SNVBAGLBSA-N 1 0 201.310 1.162 10 0 BDAERO CCCn1ncnc1C[NH2+]C1(C(C)C)CC1 ZINC000339514443 388485513 /nfs/dbraw/zinc/48/55/13/388485513.db2.gz NXOWEZHLDKENKS-UHFFFAOYSA-N 1 0 222.336 1.966 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccc(F)cc2)C1 ZINC000343981782 388504010 /nfs/dbraw/zinc/50/40/10/388504010.db2.gz MJAZVHLGWXDFOX-CHWSQXEVSA-N 1 0 239.290 1.407 10 0 BDAERO CCC[C@H](C)C[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344070826 388504845 /nfs/dbraw/zinc/50/48/45/388504845.db2.gz VRLSAXUXUTZPBP-TUAOUCFPSA-N 1 0 215.337 1.504 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H]2CC=CCC2)C1 ZINC000344057607 388505102 /nfs/dbraw/zinc/50/51/02/388505102.db2.gz WGFRJVPCQIFSAQ-RWMBFGLXSA-N 1 0 225.332 1.424 10 0 BDAERO CCC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)OC ZINC000378833494 388518176 /nfs/dbraw/zinc/51/81/76/388518176.db2.gz TZSWPTMSIGWCGT-MNOVXSKESA-N 1 0 217.353 1.798 10 0 BDAERO CCOCC(C)(C)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000379113316 388586411 /nfs/dbraw/zinc/58/64/11/388586411.db2.gz KREMVASODTYTRN-NWDGAFQWSA-N 1 0 229.364 1.942 10 0 BDAERO Cc1nc2ccccc2nc1N[C@@H](C)C[NH3+] ZINC000082576020 388618195 /nfs/dbraw/zinc/61/81/95/388618195.db2.gz PPBSCIJUFUHZOW-QMMMGPOBSA-N 1 0 216.288 1.697 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+]CC(C)(C)C)CC2 ZINC000360094846 388557993 /nfs/dbraw/zinc/55/79/93/388557993.db2.gz AITGDJWDMOWEJU-SNVBAGLBSA-N 1 0 222.336 1.537 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000361130471 388560014 /nfs/dbraw/zinc/56/00/14/388560014.db2.gz YXHGZQRDGSEBLP-GXSJLCMTSA-N 1 0 222.336 1.535 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCc2nccn2C1)C1CC1 ZINC000364374067 388563821 /nfs/dbraw/zinc/56/38/21/388563821.db2.gz IYJXVTFYZMNGJV-GXSJLCMTSA-N 1 0 205.305 1.586 10 0 BDAERO CCC(=O)CCC[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000649297262 388575355 /nfs/dbraw/zinc/57/53/55/388575355.db2.gz BSBFUDHRKMBIPC-ZDUSSCGKSA-N 1 0 242.363 1.008 10 0 BDAERO Cc1nc([C@@H](C)NC(=O)C[C@@H](C)[NH3+])cs1 ZINC000261572793 135215005 /nfs/dbraw/zinc/21/50/05/135215005.db2.gz IHSRGDIKJWJILH-RNFRBKRXSA-N 1 0 227.333 1.366 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]1CCCCO1 ZINC000245475467 388583487 /nfs/dbraw/zinc/58/34/87/388583487.db2.gz RXMSXAVPIHTJEN-ZIAGYGMSSA-N 1 0 240.391 1.972 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CCN1C ZINC000247962704 388671814 /nfs/dbraw/zinc/67/18/14/388671814.db2.gz GJTYHAYZPGVWJW-RQJABVFESA-N 1 0 240.391 1.610 10 0 BDAERO c1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3CN2)cc1 ZINC000062568930 388653441 /nfs/dbraw/zinc/65/34/41/388653441.db2.gz VVTXUMOBQPCULI-OLZOCXBDSA-N 1 0 202.301 1.795 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N(C)C(C)C ZINC000190828883 388657304 /nfs/dbraw/zinc/65/73/04/388657304.db2.gz FKWBYEDPUYIECK-GFCCVEGCSA-N 1 0 241.379 1.863 10 0 BDAERO COCCCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247437305 388663895 /nfs/dbraw/zinc/66/38/95/388663895.db2.gz ZJNASZHUTXSRQY-ZDUSSCGKSA-N 1 0 226.364 1.583 10 0 BDAERO CC[C@H]1C[N@@H+]([C@H](C)COC)CCN1CCOC ZINC000247498598 388664699 /nfs/dbraw/zinc/66/46/99/388664699.db2.gz LMBIMUPJMXFZHT-OLZOCXBDSA-N 1 0 244.379 1.064 10 0 BDAERO C[C@H](c1ccccc1F)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000251514084 388748017 /nfs/dbraw/zinc/74/80/17/388748017.db2.gz JAQSUBVVVSNIGI-ICCXJUOJSA-N 1 0 238.306 1.151 10 0 BDAERO [NH3+]Cc1cccc(COC[C@H]2CCCO2)c1 ZINC000019390884 388697711 /nfs/dbraw/zinc/69/77/11/388697711.db2.gz JKFKOJLQIJOSHD-CYBMUJFWSA-N 1 0 221.300 1.841 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2ncccc2OC)C1 ZINC000127857540 388733055 /nfs/dbraw/zinc/73/30/55/388733055.db2.gz ARUQTLIAQGYUKB-NSHDSACASA-N 1 0 235.331 1.986 10 0 BDAERO CN(Cc1ccccc1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC000575458650 388801750 /nfs/dbraw/zinc/80/17/50/388801750.db2.gz KMNKVEKMMUFWDN-QWHCGFSZSA-N 1 0 222.307 1.818 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000229880066 388802647 /nfs/dbraw/zinc/80/26/47/388802647.db2.gz HRMWIEUGMBUFPF-PWSUYJOCSA-N 1 0 229.320 1.032 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)NC(C)(C)C ZINC000227833163 388760541 /nfs/dbraw/zinc/76/05/41/388760541.db2.gz ZRQSGTUWXFXMQG-OPRDCNLKSA-N 1 0 228.336 1.057 10 0 BDAERO COCc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000091524452 388764710 /nfs/dbraw/zinc/76/47/10/388764710.db2.gz DYSGTUFDOGFIEQ-UHFFFAOYSA-N 1 0 235.327 1.694 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@@H]2CCO[C@@H]21 ZINC000252744756 388779531 /nfs/dbraw/zinc/77/95/31/388779531.db2.gz TVXCGIPTSKSCQM-NWBUJAPZSA-N 1 0 239.359 1.693 10 0 BDAERO OCC[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000229209836 388782861 /nfs/dbraw/zinc/78/28/61/388782861.db2.gz XRCSWHXHCMETJC-RYUDHWBXSA-N 1 0 213.321 1.260 10 0 BDAERO [NH3+]Cc1cnc(C(F)(F)Br)o1 ZINC000575456697 388788346 /nfs/dbraw/zinc/78/83/46/388788346.db2.gz BEANMIARRPYZKW-UHFFFAOYSA-N 1 0 227.008 1.578 10 0 BDAERO [NH3+][C@]1(c2cnsc2)CCCSC1 ZINC000575457701 388790554 /nfs/dbraw/zinc/79/05/54/388790554.db2.gz OGKUPSZIIXLJPN-MRVPVSSYSA-N 1 0 200.332 1.824 10 0 BDAERO [NH3+][C@@]1(c2cnsc2)CCCSC1 ZINC000575457702 388791069 /nfs/dbraw/zinc/79/10/69/388791069.db2.gz OGKUPSZIIXLJPN-QMMMGPOBSA-N 1 0 200.332 1.824 10 0 BDAERO CN1CC[C@@]([NH3+])(c2ccc(Cl)s2)C1 ZINC000575462598 388825808 /nfs/dbraw/zinc/82/58/08/388825808.db2.gz YKZZFZQJGNVVCP-VIFPVBQESA-N 1 0 216.737 1.891 10 0 BDAERO CC[NH2+]CCCNc1nc([C@H](C)OC)ns1 ZINC000304333793 388842074 /nfs/dbraw/zinc/84/20/74/388842074.db2.gz USHRKPLFTOHSHE-QMMMGPOBSA-N 1 0 244.364 1.657 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000555823505 388861196 /nfs/dbraw/zinc/86/11/96/388861196.db2.gz PYKVPCVSNUOHCE-OLZOCXBDSA-N 1 0 245.363 1.011 10 0 BDAERO C[C@@H]1CN(CC2SCCS2)CC[NH2+]1 ZINC000575487932 388877510 /nfs/dbraw/zinc/87/75/10/388877510.db2.gz VAFOCGPAQHAUEG-MRVPVSSYSA-N 1 0 218.391 1.086 10 0 BDAERO CCN1CCC[C@@H]([NH2+]C[C@@H](C)COC)C1 ZINC000153362568 388967171 /nfs/dbraw/zinc/96/71/71/388967171.db2.gz MQVGOUVMEXLWSO-VXGBXAGGSA-N 1 0 214.353 1.343 10 0 BDAERO Cn1nc(Br)cc1C[C@H]1CCC[NH2+]1 ZINC000575502683 388990391 /nfs/dbraw/zinc/99/03/91/388990391.db2.gz VFTBAITZVNPFLR-SSDOTTSWSA-N 1 0 244.136 1.477 10 0 BDAERO C[C@H]1C[C@H](c2cc(Br)nn2C)C[NH2+]1 ZINC000575502098 388990433 /nfs/dbraw/zinc/99/04/33/388990433.db2.gz NBDMKJFYJMDHIO-BQBZGAKWSA-N 1 0 244.136 1.648 10 0 BDAERO C[NH2+][C@@H]1CO[C@@]2(C1)CCCS[C@@H]2C ZINC000575506794 388992157 /nfs/dbraw/zinc/99/21/57/388992157.db2.gz JSPSDIMRDWAQTM-KXUCPTDWSA-N 1 0 201.335 1.649 10 0 BDAERO C1C[NH+]([C@H]2CCCSCC2)CCN1 ZINC000575513341 389017064 /nfs/dbraw/zinc/01/70/64/389017064.db2.gz VAULFVBFIQLOTD-JTQLQIEISA-N 1 0 200.351 1.177 10 0 BDAERO C[C@H]1CCCCN1c1cc(C[NH3+])ccn1 ZINC000022211673 132332566 /nfs/dbraw/zinc/33/25/66/132332566.db2.gz OCJSGPRDRNEGKJ-JTQLQIEISA-N 1 0 205.305 1.919 10 0 BDAERO [NH3+]Cc1cc(Cl)ccc1N1CCC[C@H](O)C1 ZINC000052856832 132362735 /nfs/dbraw/zinc/36/27/35/132362735.db2.gz LRMQBFFYNIRSJC-NSHDSACASA-N 1 0 240.734 1.760 10 0 BDAERO Cc1ccc(N2CCC(CC[NH3+])CC2)nc1 ZINC000053705686 132363328 /nfs/dbraw/zinc/36/33/28/132363328.db2.gz XIUDKJMDEYXOBC-UHFFFAOYSA-N 1 0 219.332 1.955 10 0 BDAERO C[C@@H](Nc1cccc(CO)c1)[C@H]1CC[NH2+]C1 ZINC000400346838 533559398 /nfs/dbraw/zinc/55/93/98/533559398.db2.gz AEZHUOGXCNYFNT-PWSUYJOCSA-N 1 0 220.316 1.589 10 0 BDAERO [NH3+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000011850944 132320788 /nfs/dbraw/zinc/32/07/88/132320788.db2.gz GBUPSKNAJVAIAO-UHFFFAOYSA-N 1 0 243.310 1.530 10 0 BDAERO CCOc1ccccc1N1CC[NH2+]C[C@@H]1C ZINC000016944958 132323577 /nfs/dbraw/zinc/32/35/77/132323577.db2.gz QAXZBNPIVAFIII-NSHDSACASA-N 1 0 220.316 1.883 10 0 BDAERO CC[C@H]1CN(c2ccccc2OC)CC[NH2+]1 ZINC000016944811 132323584 /nfs/dbraw/zinc/32/35/84/132323584.db2.gz KAAHELRTHXJHTE-NSHDSACASA-N 1 0 220.316 1.883 10 0 BDAERO CC[C@H]1C[NH2+]CCN1c1ccccc1OC ZINC000016945053 132323641 /nfs/dbraw/zinc/32/36/41/132323641.db2.gz UTAPOYCRTWGIHN-NSHDSACASA-N 1 0 220.316 1.883 10 0 BDAERO C[NH2+]CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000019435420 132325265 /nfs/dbraw/zinc/32/52/65/132325265.db2.gz CIQIJECXEZYLDU-JTQLQIEISA-N 1 0 218.300 1.574 10 0 BDAERO C[NH2+]C[C@@H](O)CN1CCCc2ccccc21 ZINC000019685158 132325909 /nfs/dbraw/zinc/32/59/09/132325909.db2.gz HGDMOCHFHRCTGQ-GFCCVEGCSA-N 1 0 220.316 1.020 10 0 BDAERO Nc1c[nH+]ccc1N1CCCC[C@H]1CCO ZINC000019763609 132327079 /nfs/dbraw/zinc/32/70/79/132327079.db2.gz KIZSFQGFYITCHF-JTQLQIEISA-N 1 0 221.304 1.405 10 0 BDAERO Cc1nc(-c2ccc(N3CC[NH2+]CC3)cc2)no1 ZINC000032918061 132335875 /nfs/dbraw/zinc/33/58/75/132335875.db2.gz NPNTVEOHEIJADR-UHFFFAOYSA-N 1 0 244.298 1.455 10 0 BDAERO C[NH+](C)CCN1c2ccc(N)cc2CCC1=O ZINC000035322878 132338226 /nfs/dbraw/zinc/33/82/26/132338226.db2.gz RGGXDRUJXNAJKT-UHFFFAOYSA-N 1 0 233.315 1.110 10 0 BDAERO c1n[nH]cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000035763564 132339077 /nfs/dbraw/zinc/33/90/77/132339077.db2.gz TXUTXTXZJCAQAN-UHFFFAOYSA-N 1 0 243.314 1.886 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1c1cc[nH+]cc1N ZINC000035783771 132339643 /nfs/dbraw/zinc/33/96/43/132339643.db2.gz JEFJWUNUOOVIKU-BDAKNGLRSA-N 1 0 207.277 1.277 10 0 BDAERO C[C@@H]1CN(c2cc[nH+]cc2N)[C@H](C)CO1 ZINC000035783769 132339737 /nfs/dbraw/zinc/33/97/37/132339737.db2.gz JEFJWUNUOOVIKU-RKDXNWHRSA-N 1 0 207.277 1.277 10 0 BDAERO CC[C@H]1CN(c2cc[nH+]cc2N)CCO1 ZINC000036769303 132342536 /nfs/dbraw/zinc/34/25/36/132342536.db2.gz LVRBMICUVKJGFM-VIFPVBQESA-N 1 0 207.277 1.279 10 0 BDAERO CC[C@@H]1CN(c2ncccc2C[NH3+])CCO1 ZINC000036768886 132342551 /nfs/dbraw/zinc/34/25/51/132342551.db2.gz VEJXNQKTFDHCJN-LLVKDONJSA-N 1 0 221.304 1.156 10 0 BDAERO [NH3+]CCN1C(=O)CCc2ccc(F)cc21 ZINC000036998816 132343433 /nfs/dbraw/zinc/34/34/33/132343433.db2.gz PCBKHIRPFVCCNE-UHFFFAOYSA-N 1 0 208.236 1.064 10 0 BDAERO CCOCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037269349 132344276 /nfs/dbraw/zinc/34/42/76/132344276.db2.gz JWNSCAWMDVVREY-GFCCVEGCSA-N 1 0 248.326 1.720 10 0 BDAERO Cc1nnc(N2CCCCC2)c(C[NH3+])c1C ZINC000040290325 132347399 /nfs/dbraw/zinc/34/73/99/132347399.db2.gz JVZRRIXDDNCJRC-UHFFFAOYSA-N 1 0 220.320 1.542 10 0 BDAERO C[NH2+]CCN1c2ccccc2O[C@H](C)C1=O ZINC000042410323 132351461 /nfs/dbraw/zinc/35/14/61/132351461.db2.gz UJSYADUKIJUTBO-SECBINFHSA-N 1 0 220.272 1.020 10 0 BDAERO CCO[C@@H]1CCCN(c2ccc(C[NH3+])cn2)C1 ZINC000042408115 132351530 /nfs/dbraw/zinc/35/15/30/132351530.db2.gz FEKCJXAZFMYKNT-GFCCVEGCSA-N 1 0 235.331 1.546 10 0 BDAERO Cc1cc2ncnn2c(N2CCC[C@@H](C[NH3+])C2)c1 ZINC000044532094 132354442 /nfs/dbraw/zinc/35/44/42/132354442.db2.gz UUKKGFHZOREGRU-NSHDSACASA-N 1 0 245.330 1.213 10 0 BDAERO C[C@@H]1CN(c2cc(N)cc[nH+]2)CC(C)(C)O1 ZINC000045687675 132354850 /nfs/dbraw/zinc/35/48/50/132354850.db2.gz IEDDOFKPXKLPSA-SECBINFHSA-N 1 0 221.304 1.668 10 0 BDAERO CC[C@@H]([NH3+])CN1c2ccccc2CCC1=O ZINC000050180240 132358646 /nfs/dbraw/zinc/35/86/46/132358646.db2.gz CXQQWJXYENGAGZ-LLVKDONJSA-N 1 0 218.300 1.703 10 0 BDAERO [NH3+]Cc1cccc(N2CCSCC2)n1 ZINC000051396553 132360091 /nfs/dbraw/zinc/36/00/91/132360091.db2.gz ASZCZZDKRMQWBV-UHFFFAOYSA-N 1 0 209.318 1.094 10 0 BDAERO CC[C@@H]1CN(c2cccc(C[NH3+])n2)CCO1 ZINC000051396881 132360302 /nfs/dbraw/zinc/36/03/02/132360302.db2.gz AFGQUMVIRXNBTG-LLVKDONJSA-N 1 0 221.304 1.156 10 0 BDAERO Cc1ccc(C(N)=O)c(N2CCCC[C@H]2C[NH3+])c1 ZINC000051581388 132361524 /nfs/dbraw/zinc/36/15/24/132361524.db2.gz AYJALKWKSQQCKN-NSHDSACASA-N 1 0 247.342 1.412 10 0 BDAERO Cc1ccc(N2C[C@H](C[NH3+])CC[C@@H]2C)nn1 ZINC000053704739 132363096 /nfs/dbraw/zinc/36/30/96/132363096.db2.gz WLONUFACSRUOQW-QWRGUYRKSA-N 1 0 220.320 1.349 10 0 BDAERO Cc1cc(N2C[C@H](C)[NH2+][C@@H](C)C2)nc(C)n1 ZINC000053712413 132363564 /nfs/dbraw/zinc/36/35/64/132363564.db2.gz AAHPFQMFLWOHSQ-UWVGGRQHSA-N 1 0 220.320 1.280 10 0 BDAERO [NH3+]Cc1nccnc1N1CCO[C@@H]2CCCC[C@@H]21 ZINC000054378045 132364641 /nfs/dbraw/zinc/36/46/41/132364641.db2.gz KVHIUZHEEAIJEI-NWDGAFQWSA-N 1 0 248.330 1.083 10 0 BDAERO [NH3+]Cc1ccccc1N1CCC2(CC1)OCCO2 ZINC000062153010 132387472 /nfs/dbraw/zinc/38/74/72/132387472.db2.gz UKCOODQBACOSNA-UHFFFAOYSA-N 1 0 248.326 1.489 10 0 BDAERO [NH3+]Cc1ccc(Cl)cc1N1CCC[C@H](O)C1 ZINC000062786828 132388599 /nfs/dbraw/zinc/38/85/99/132388599.db2.gz IZGLQSYKAOESQN-NSHDSACASA-N 1 0 240.734 1.760 10 0 BDAERO Cc1cnc(N2CCC[C@@H](C[NH2+]C3CC3)C2)nc1 ZINC000063049345 132388840 /nfs/dbraw/zinc/38/88/40/132388840.db2.gz IBWINAPGTLSHKS-LBPRGKRZSA-N 1 0 246.358 1.753 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1cncnc1 ZINC000083361604 132423685 /nfs/dbraw/zinc/42/36/85/132423685.db2.gz NWKOSPVVZNGHKZ-YPMHNXCESA-N 1 0 234.347 1.689 10 0 BDAERO CC(C)CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000049283927 166845673 /nfs/dbraw/zinc/84/56/73/166845673.db2.gz GVTLLCBHTBJMKD-RYUDHWBXSA-N 1 0 242.363 1.306 10 0 BDAERO CSC(C)(C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158263674 133500050 /nfs/dbraw/zinc/50/00/50/133500050.db2.gz OJFRRICQYBKQHY-IUCAKERBSA-N 1 0 230.377 1.372 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2cccs2)C[C@H]1[NH3+] ZINC000335485297 133881825 /nfs/dbraw/zinc/88/18/25/133881825.db2.gz ZIHMFUYNKBIQFC-MWLCHTKSSA-N 1 0 238.356 1.486 10 0 BDAERO COCc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000335484344 133882050 /nfs/dbraw/zinc/88/20/50/133882050.db2.gz VBYSIORKGFVVFT-MFKMUULPSA-N 1 0 248.326 1.252 10 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O=C(CC1CCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172921014 134270615 /nfs/dbraw/zinc/27/06/15/134270615.db2.gz VLOGIPKZHRSKPQ-UHFFFAOYSA-N 1 0 236.359 1.873 10 0 BDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C1CC1)CC2 ZINC000177311165 134299528 /nfs/dbraw/zinc/29/95/28/134299528.db2.gz MWHICSQLEBUDGM-GXSJLCMTSA-N 1 0 234.347 1.543 10 0 BDAERO CC[C@H](SC)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178545415 134307889 /nfs/dbraw/zinc/30/78/89/134307889.db2.gz JLDJEVUSJYOHEG-MNOVXSKESA-N 1 0 242.388 1.435 10 0 BDAERO CC[C@H](C)OCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178538741 134308029 /nfs/dbraw/zinc/30/80/29/134308029.db2.gz OVFGHFORIHJKEM-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO O=C(C(C1CC1)C1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178800157 134311433 /nfs/dbraw/zinc/31/14/33/134311433.db2.gz YLWLRFIECSPBFU-CYBMUJFWSA-N 1 0 248.370 1.729 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)CSC(F)(F)F ZINC000178628907 134312099 /nfs/dbraw/zinc/31/20/99/134312099.db2.gz RNNVQSBAQBZVHE-RXMQYKEDSA-N 1 0 230.255 1.093 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccno1 ZINC000221101074 134316504 /nfs/dbraw/zinc/31/65/04/134316504.db2.gz UGKNJEMKOGKTFU-VXGBXAGGSA-N 1 0 235.331 1.733 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccno1 ZINC000221101141 134316812 /nfs/dbraw/zinc/31/68/12/134316812.db2.gz UGKNJEMKOGKTFU-NWDGAFQWSA-N 1 0 235.331 1.733 10 0 BDAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCCN(C2CC2)CC1 ZINC000179282583 134318852 /nfs/dbraw/zinc/31/88/52/134318852.db2.gz BXKTUGYWSJFBDC-KBPBESRZSA-N 1 0 238.375 1.460 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccncc2)C1 ZINC000181985704 134340833 /nfs/dbraw/zinc/34/08/33/134340833.db2.gz LGJVGBSGQVAMKM-CYBMUJFWSA-N 1 0 247.342 1.225 10 0 BDAERO CCC[C@H](C)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000182186107 134342453 /nfs/dbraw/zinc/34/24/53/134342453.db2.gz YBJSFVYTXIYSDU-GXTWGEPZSA-N 1 0 240.391 1.875 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCn1ccnc1 ZINC000183178633 134348836 /nfs/dbraw/zinc/34/88/36/134348836.db2.gz DNZUWGXEAVPVOC-UONOGXRCSA-N 1 0 248.374 1.442 10 0 BDAERO 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BDAERO C[C@@H](NC(=O)C1C[NH2+]C1)[C@H](C)C1CCCCC1 ZINC000263306935 135345672 /nfs/dbraw/zinc/34/56/72/135345672.db2.gz OMYFPCAGBGYVIR-WDEREUQCSA-N 1 0 238.375 1.927 10 0 BDAERO CC[C@H](c1ccncc1)N(C)C(=O)C1C[NH2+]C1 ZINC000263317451 135346532 /nfs/dbraw/zinc/34/65/32/135346532.db2.gz QOJLPNZSNILJOR-GFCCVEGCSA-N 1 0 233.315 1.211 10 0 BDAERO C[C@@H](CNC(=O)C1C[NH2+]C1)Cc1cccs1 ZINC000263347169 135347914 /nfs/dbraw/zinc/34/79/14/135347914.db2.gz ZKKPMNVQMVUSNK-SECBINFHSA-N 1 0 238.356 1.262 10 0 BDAERO CCS[C@@H]1CCCC[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000263341977 135348289 /nfs/dbraw/zinc/34/82/89/135348289.db2.gz XVRPDJDREFZMCY-WDEREUQCSA-N 1 0 242.388 1.386 10 0 BDAERO CCS[C@H]1CCC[C@@H](NC(=O)C2C[NH2+]C2)C1 ZINC000263341383 135348567 /nfs/dbraw/zinc/34/85/67/135348567.db2.gz XPHWXKBDKTULTH-MNOVXSKESA-N 1 0 242.388 1.386 10 0 BDAERO Cc1ccc(N(C)C(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000164484307 135366577 /nfs/dbraw/zinc/36/65/77/135366577.db2.gz DSXDHFLVHHADND-LLVKDONJSA-N 1 0 232.327 1.813 10 0 BDAERO C[C@H](CC1CC1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081018823 135385521 /nfs/dbraw/zinc/38/55/21/135385521.db2.gz IEVDDYZLIPZTAA-PWSUYJOCSA-N 1 0 224.348 1.823 10 0 BDAERO Cc1n[nH]cc1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000080042396 135398273 /nfs/dbraw/zinc/39/82/73/135398273.db2.gz LMEKQOSVSCQWSH-GFCCVEGCSA-N 1 0 244.298 1.148 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CCCn2ncnc21)C(C)C ZINC000164768142 135437814 /nfs/dbraw/zinc/43/78/14/135437814.db2.gz VJIGPFMZHBDWIL-MNOVXSKESA-N 1 0 238.335 1.374 10 0 BDAERO C[C@H]1CCC[C@](CNC2COC2)([NH+](C)C)C1 ZINC000082488238 135438278 /nfs/dbraw/zinc/43/82/78/135438278.db2.gz QUPUAQWJXMBCKT-AAEUAGOBSA-N 1 0 226.364 1.485 10 0 BDAERO CCC[C@H](CC)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082560009 135438874 /nfs/dbraw/zinc/43/88/74/135438874.db2.gz XLIPMYHXTNPCSS-GARJFASQSA-N 1 0 212.337 1.537 10 0 BDAERO CN(Cc1cscn1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000082921506 135442556 /nfs/dbraw/zinc/44/25/56/135442556.db2.gz SJEJPNCOLHQQQG-UWVGGRQHSA-N 1 0 239.344 1.229 10 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C[C@@H](C(=O)N1C[C@@H]2CCCC[C@@H]2C1)[C@H](C)[NH3+] ZINC000192055232 135557907 /nfs/dbraw/zinc/55/79/07/135557907.db2.gz VVFZYKJWGKLVDT-KXNHARMFSA-N 1 0 224.348 1.618 10 0 BDAERO CN1CCO[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000091667568 135564014 /nfs/dbraw/zinc/56/40/14/135564014.db2.gz RKDWKDPVOSMQGP-CQSZACIVSA-N 1 0 240.391 1.877 10 0 BDAERO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000092055690 135571035 /nfs/dbraw/zinc/57/10/35/135571035.db2.gz ZORIKXWCBFGKDE-HZSPNIEDSA-N 1 0 240.391 1.733 10 0 BDAERO COc1c(C[N@H+](C)CCC2CC2)c(C)nn1C ZINC000092067169 135571211 /nfs/dbraw/zinc/57/12/11/135571211.db2.gz OKKRRXJKMICFHX-UHFFFAOYSA-N 1 0 237.347 1.969 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000334886324 135834918 /nfs/dbraw/zinc/83/49/18/135834918.db2.gz AZURSDXQZFRNLQ-VHSXEESVSA-N 1 0 213.325 1.082 10 0 BDAERO C[C@H]1C[N@H+](C[C@@H]2CCCNC2=O)CCC1(F)F ZINC000335168634 135928125 /nfs/dbraw/zinc/92/81/25/135928125.db2.gz GJMKLJPLQPPIHI-UWVGGRQHSA-N 1 0 246.301 1.490 10 0 BDAERO CC(C)n1ccnc1CN1CC[NH2+][C@@H](C)C1 ZINC000335298966 136007926 /nfs/dbraw/zinc/00/79/26/136007926.db2.gz GFZQLMYYCVBKGH-NSHDSACASA-N 1 0 222.336 1.258 10 0 BDAERO C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1[NH3+] ZINC000335382267 136087935 /nfs/dbraw/zinc/08/79/35/136087935.db2.gz WTZLYYLTETWVIM-KOLCDFICSA-N 1 0 222.332 1.372 10 0 BDAERO CCc1noc(C)c1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000335585952 136101933 /nfs/dbraw/zinc/10/19/33/136101933.db2.gz IKAKDTWUYKGYDT-MWLCHTKSSA-N 1 0 238.331 1.748 10 0 BDAERO CC1(C(=O)N[C@@H]2CCCc3ccccc32)C[NH2+]C1 ZINC000335593523 136103715 /nfs/dbraw/zinc/10/37/15/136103715.db2.gz DUTCJDOOIRXVFX-CYBMUJFWSA-N 1 0 244.338 1.790 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]CC2(O)CCOCC2)o1 ZINC000162305124 397777957 /nfs/dbraw/zinc/77/79/57/397777957.db2.gz SZGLIWWVRMYBJW-NSHDSACASA-N 1 0 239.315 1.780 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCc1cnccn1 ZINC000390304465 397884861 /nfs/dbraw/zinc/88/48/61/397884861.db2.gz TYDWSACHKUXBMT-OCCSQVGLSA-N 1 0 246.358 1.188 10 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C[C@@H]1C[C@H](N)C[N@@H+]1[C@H]1CCS[C@H]1C ZINC000575592404 397990576 /nfs/dbraw/zinc/99/05/76/397990576.db2.gz RLPISWKGEPOMSZ-KATARQTJSA-N 1 0 200.351 1.302 10 0 BDAERO O[C@@H]1CCC[C@H](C[NH+]2CCN(C3CC3)CC2)C1 ZINC000383877454 398046675 /nfs/dbraw/zinc/04/66/75/398046675.db2.gz IWTLTSOSBCPHFR-GXTWGEPZSA-N 1 0 238.375 1.318 10 0 BDAERO Cn1c(Cl)ncc1C1(F)CC([NH3+])C1 ZINC000575509684 397970064 /nfs/dbraw/zinc/97/00/64/397970064.db2.gz ZDIXLKJGQPUFQR-UHFFFAOYSA-N 1 0 203.648 1.359 10 0 BDAERO CC[C@H]1C[C@@]2(CO1)[NH2+]C(C)(C)CS2 ZINC000575509987 397970801 /nfs/dbraw/zinc/97/08/01/397970801.db2.gz SBDAZDWASHFZGT-WCBMZHEXSA-N 1 0 201.335 1.997 10 0 BDAERO COCc1ccc(CN2CCC[C@H]2C[NH3+])o1 ZINC000382738744 397972243 /nfs/dbraw/zinc/97/22/43/397972243.db2.gz LUJGWDDQGFEUNF-JTQLQIEISA-N 1 0 224.304 1.349 10 0 BDAERO CC(C)([NH3+])[C@@H](O)c1cccnc1Br ZINC000575518980 397975909 /nfs/dbraw/zinc/97/59/09/397975909.db2.gz XNKVBKDJINJHDQ-ZETCQYMHSA-N 1 0 245.120 1.615 10 0 BDAERO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000186396295 398064407 /nfs/dbraw/zinc/06/44/07/398064407.db2.gz UYTDOBZEUMINLS-WCQYABFASA-N 1 0 226.364 1.485 10 0 BDAERO C[NH2+][C@H](C)c1nc(-c2cccs2)n[nH]1 ZINC000054700279 398070710 /nfs/dbraw/zinc/07/07/10/398070710.db2.gz ZPTASTDKPBCCNI-ZCFIWIBFSA-N 1 0 208.290 1.814 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+]CCCF)C12CCOCC2 ZINC000186422926 398053368 /nfs/dbraw/zinc/05/33/68/398053368.db2.gz BVDKRBYIOZGERZ-RYUDHWBXSA-N 1 0 245.338 1.910 10 0 BDAERO CO[C@@H](C)CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186547551 398055203 /nfs/dbraw/zinc/05/52/03/398055203.db2.gz SAJIPIVMEIXNJH-QWRGUYRKSA-N 1 0 240.347 1.154 10 0 BDAERO [NH3+]Cc1cnc(-n2ccnc2)c(Cl)c1 ZINC000051489864 398056027 /nfs/dbraw/zinc/05/60/27/398056027.db2.gz DGQYYARPDRUZPY-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)[C@@H](C)O1 ZINC000384570534 398098264 /nfs/dbraw/zinc/09/82/64/398098264.db2.gz JBHAULPNMUSHNZ-JCIQBVFBSA-N 1 0 213.321 1.445 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)O1 ZINC000384723797 398103738 /nfs/dbraw/zinc/10/37/38/398103738.db2.gz ISEQNLCNGALKFN-ROHXPCBUSA-N 1 0 240.347 1.057 10 0 BDAERO [NH3+]CCCNc1nc2c(cccc2F)o1 ZINC000107207860 322862237 /nfs/dbraw/zinc/86/22/37/322862237.db2.gz ZGZLPHJFQVYKCF-UHFFFAOYSA-N 1 0 209.224 1.728 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)on1 ZINC000389720695 398129443 /nfs/dbraw/zinc/12/94/43/398129443.db2.gz PGPQITMHZYTSKY-NXEZZACHSA-N 1 0 210.277 1.376 10 0 BDAERO COc1cc(C)nc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389732366 398131484 /nfs/dbraw/zinc/13/14/84/398131484.db2.gz REQQZDKESXMXBS-WCBMZHEXSA-N 1 0 236.319 1.204 10 0 BDAERO CC(C)NC(=O)CC[N@H+](C)C1(CN)CCCC1 ZINC000054047950 167039059 /nfs/dbraw/zinc/03/90/59/167039059.db2.gz GPPFAHKXQTXJOB-UHFFFAOYSA-N 1 0 241.379 1.104 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000401742028 533674902 /nfs/dbraw/zinc/67/49/02/533674902.db2.gz JSEYZFMAQLOEBL-IJLUTSLNSA-N 1 0 227.348 1.647 10 0 BDAERO COC[C@@H]([NH3+])Cc1c(F)cccc1Cl ZINC000049672271 174479078 /nfs/dbraw/zinc/47/90/78/174479078.db2.gz PSZLFDBGUJIUMQ-ZETCQYMHSA-N 1 0 217.671 1.995 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)COc1cccc(O)c1 ZINC000026973060 167111534 /nfs/dbraw/zinc/11/15/34/167111534.db2.gz YFYAFDUVTDKBDS-LLVKDONJSA-N 1 0 225.288 1.130 10 0 BDAERO CC(C)(CN[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000258815543 322876554 /nfs/dbraw/zinc/87/65/54/322876554.db2.gz CRWIFTGZURQQOI-GFCCVEGCSA-N 1 0 219.332 1.311 10 0 BDAERO CCN(CCO)c1ccc(F)cc1[C@H](C)[NH2+]C ZINC000037900272 169860632 /nfs/dbraw/zinc/86/06/32/169860632.db2.gz CGZUUPMHTSSBPM-JTQLQIEISA-N 1 0 240.322 1.925 10 0 BDAERO CC(C)N[C@H](C(N)=O)c1cc(F)ccc1F ZINC000037869190 167136394 /nfs/dbraw/zinc/13/63/94/167136394.db2.gz JAVJKQYKWLPLLT-JTQLQIEISA-N 1 0 228.242 1.489 10 0 BDAERO CC(C)[NH2+][C@](C)(CC[NH+]1CCCCC1)C(=O)[O-] ZINC000045230039 167141960 /nfs/dbraw/zinc/14/19/60/167141960.db2.gz QYCYCDGFQSTQKB-CYBMUJFWSA-N 1 0 242.363 1.704 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc2nccnc2n1 ZINC000094726555 487557082 /nfs/dbraw/zinc/55/70/82/487557082.db2.gz RHGIIOKRRBKAQB-ZJUUUORDSA-N 1 0 243.314 1.564 10 0 BDAERO C[C@H]1CN(c2ncnc3c2CCCC3)CC[C@@H]1[NH3+] ZINC000094872639 487561992 /nfs/dbraw/zinc/56/19/92/487561992.db2.gz YJKYVIWLAYFGNY-JQWIXIFHSA-N 1 0 246.358 1.529 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094937372 487563877 /nfs/dbraw/zinc/56/38/77/487563877.db2.gz DSZVWPIPHKRGQK-YUMQZZPRSA-N 1 0 233.275 1.302 10 0 BDAERO CC(C)OC1CC([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000309569487 167177038 /nfs/dbraw/zinc/17/70/38/167177038.db2.gz NFNITPQJNDKJFW-HTAVTVPLSA-N 1 0 229.364 1.939 10 0 BDAERO CC(C)OCCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000105924109 167216793 /nfs/dbraw/zinc/21/67/93/167216793.db2.gz GFUKMDQXGSKEBS-CYBMUJFWSA-N 1 0 244.379 1.064 10 0 BDAERO CC(C)OCCOc1ccc(C[NH3+])cn1 ZINC000019270063 167248416 /nfs/dbraw/zinc/24/84/16/167248416.db2.gz MOSNBMMKUBUMMJ-UHFFFAOYSA-N 1 0 210.277 1.344 10 0 BDAERO CC[N@H+](C[C@@H](C)OC)[C@@H]1CCC[C@H]1O ZINC000383122545 487586957 /nfs/dbraw/zinc/58/69/57/487586957.db2.gz HIFBUUFSEXTEBN-GMTAPVOTSA-N 1 0 201.310 1.257 10 0 BDAERO CC(=O)CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000086930468 487588780 /nfs/dbraw/zinc/58/87/80/487588780.db2.gz HZFUBBKKQCFBQD-ZYHUDNBSSA-N 1 0 210.321 1.134 10 0 BDAERO CCN1CCC[C@@H]1C[N@H+](C)CC1CCOCC1 ZINC000175330591 487598628 /nfs/dbraw/zinc/59/86/28/487598628.db2.gz CNJIBSKRIBRLRJ-CQSZACIVSA-N 1 0 240.391 1.829 10 0 BDAERO C[C@H]([NH3+])C[C@H](C)Nc1ncnc2c1CCCC2 ZINC000228268337 487601514 /nfs/dbraw/zinc/60/15/14/487601514.db2.gz DWLVNHBKGKRXBU-UWVGGRQHSA-N 1 0 234.347 1.893 10 0 BDAERO CCOc1cc(N[C@@H](C)C[C@H](C)[NH3+])nc(C)n1 ZINC000228271897 487604157 /nfs/dbraw/zinc/60/41/57/487604157.db2.gz IHZVKVKJBRQMBN-IUCAKERBSA-N 1 0 238.335 1.721 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660693764 409556343 /nfs/dbraw/zinc/55/63/43/409556343.db2.gz ZWEHPWFRBVBMLB-LBELIVKGSA-N 1 0 209.333 1.878 10 0 BDAERO Cc1nocc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000662266985 409570444 /nfs/dbraw/zinc/57/04/44/409570444.db2.gz PBPOGJFOLRDAPW-LBPRGKRZSA-N 1 0 223.320 1.557 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)CC1CCSCC1 ZINC000308781573 409905201 /nfs/dbraw/zinc/90/52/01/409905201.db2.gz CXEFJVAZPPKJOM-VIFPVBQESA-N 1 0 230.377 1.244 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1ccc2ccncc2c1 ZINC000653137799 409858384 /nfs/dbraw/zinc/85/83/84/409858384.db2.gz TZHBWJXXMZPHCD-JTQLQIEISA-N 1 0 243.310 1.573 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000662706495 409858687 /nfs/dbraw/zinc/85/86/87/409858687.db2.gz WKLFDJYFJGEECX-GMTAPVOTSA-N 1 0 210.321 1.228 10 0 BDAERO Cc1cccc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000227201552 487612628 /nfs/dbraw/zinc/61/26/28/487612628.db2.gz GJVSWMYSRXNVLH-ZYHUDNBSSA-N 1 0 219.332 1.954 10 0 BDAERO Brc1cc(CN2CC[NH2+]CC2)co1 ZINC000096879632 166096401 /nfs/dbraw/zinc/09/64/01/166096401.db2.gz NLSQWZAGDZILJJ-UHFFFAOYSA-N 1 0 245.120 1.447 10 0 BDAERO CCC[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128858465 410083519 /nfs/dbraw/zinc/08/35/19/410083519.db2.gz LNYBNBYZYYXJSP-VHSXEESVSA-N 1 0 200.326 1.665 10 0 BDAERO CCCc1nccnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000663274944 410092596 /nfs/dbraw/zinc/09/25/96/410092596.db2.gz SCEDAZIIIZRIHS-NXEZZACHSA-N 1 0 220.320 1.213 10 0 BDAERO Brc1ccnn1[C@@H]1CCC[NH2+]C1 ZINC000082348082 166102976 /nfs/dbraw/zinc/10/29/76/166102976.db2.gz KPHITIBIISKXEV-SSDOTTSWSA-N 1 0 230.109 1.570 10 0 BDAERO Brc1ccnn1C1CC[NH2+]CC1 ZINC000082348076 166103105 /nfs/dbraw/zinc/10/31/05/166103105.db2.gz RQXAQBBPEUPYMU-UHFFFAOYSA-N 1 0 230.109 1.570 10 0 BDAERO C[NH2+]CCC1CCN(c2ncccc2OC)CC1 ZINC000128391951 410269575 /nfs/dbraw/zinc/26/95/75/410269575.db2.gz HQEOOOKJVFMYQS-UHFFFAOYSA-N 1 0 249.358 1.916 10 0 BDAERO Cc1cc(C(C)C)nc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000122597935 410295052 /nfs/dbraw/zinc/29/50/52/410295052.db2.gz CEHWMRLIWOHHSD-LLVKDONJSA-N 1 0 234.347 1.930 10 0 BDAERO CCC[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128858035 410365646 /nfs/dbraw/zinc/36/56/46/410365646.db2.gz LNYBNBYZYYXJSP-UWVGGRQHSA-N 1 0 200.326 1.665 10 0 BDAERO CCN(CC)C(=O)C[C@H](C[NH3+])C(C)C ZINC000076582847 169750871 /nfs/dbraw/zinc/75/08/71/169750871.db2.gz ARIILALYOSKMIB-SNVBAGLBSA-N 1 0 200.326 1.476 10 0 BDAERO CC(=O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000178881198 166463268 /nfs/dbraw/zinc/46/32/68/166463268.db2.gz WNJIBICJHJEREW-GFCCVEGCSA-N 1 0 233.315 1.425 10 0 BDAERO CC(C)(C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236651 166548118 /nfs/dbraw/zinc/54/81/18/166548118.db2.gz ASNLBQCBENOERA-VHSXEESVSA-N 1 0 210.321 1.243 10 0 BDAERO CC(C)(C)SCC(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049033 166687981 /nfs/dbraw/zinc/68/79/81/166687981.db2.gz MYLVBPOMDMKYDO-UWVGGRQHSA-N 1 0 244.404 1.904 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC000336706760 166700225 /nfs/dbraw/zinc/70/02/25/166700225.db2.gz RNMVMZSGTFYFBM-QWRGUYRKSA-N 1 0 215.337 1.410 10 0 BDAERO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)CC(F)F ZINC000655482885 410737387 /nfs/dbraw/zinc/73/73/87/410737387.db2.gz ANBIRMTVGJIOQQ-ZJUUUORDSA-N 1 0 248.317 1.784 10 0 BDAERO CC(C)C1(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000226371006 166743998 /nfs/dbraw/zinc/74/39/98/166743998.db2.gz UJCGDHPCQVFJEL-QWRGUYRKSA-N 1 0 224.348 1.666 10 0 BDAERO CC(C)CC[NH2+]CCn1nnc(-c2ccco2)n1 ZINC000053538963 166859218 /nfs/dbraw/zinc/85/92/18/166859218.db2.gz LELAKRGGGHIUOA-UHFFFAOYSA-N 1 0 249.318 1.569 10 0 BDAERO Cc1cnc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)nc1C ZINC000395303785 410845002 /nfs/dbraw/zinc/84/50/02/410845002.db2.gz WDNZRBGOFXJDBP-JSGCOSHPSA-N 1 0 246.358 1.659 10 0 BDAERO [NH3+]CC1(CCNc2ccnc3cccnc32)CC1 ZINC000395938872 410866102 /nfs/dbraw/zinc/86/61/02/410866102.db2.gz ITTAMDDDZGRMOQ-UHFFFAOYSA-N 1 0 242.326 1.593 10 0 BDAERO CCc1nc(C)cc(NCCC2(C[NH3+])CC2)n1 ZINC000395930796 410866359 /nfs/dbraw/zinc/86/63/59/410866359.db2.gz FJQUGRJJOKPFOI-UHFFFAOYSA-N 1 0 234.347 1.310 10 0 BDAERO CCOc1cc(NCCC2(C[NH3+])CC2)ncn1 ZINC000395925104 410869103 /nfs/dbraw/zinc/86/91/03/410869103.db2.gz BNRRSSWOKDLQFL-UHFFFAOYSA-N 1 0 236.319 1.416 10 0 BDAERO CC(C)C[NH2+]C1(C(=O)[O-])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037965438 167003087 /nfs/dbraw/zinc/00/30/87/167003087.db2.gz SEIXCEPEWBXECA-QYJAPNMZSA-N 1 0 240.347 1.312 10 0 BDAERO CC(C)C[NH2+]CCOc1ccccc1N ZINC000041217945 167005228 /nfs/dbraw/zinc/00/52/28/167005228.db2.gz RFRMGWNPXRZOSX-UHFFFAOYSA-N 1 0 208.305 1.893 10 0 BDAERO CC(C)C[NH2+]Cc1ncccc1N(C)C ZINC000289871605 167010402 /nfs/dbraw/zinc/01/04/02/167010402.db2.gz RCYLETAWMQHTOJ-UHFFFAOYSA-N 1 0 207.321 1.893 10 0 BDAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCCC[C@@H]1C ZINC000037946096 167014047 /nfs/dbraw/zinc/01/40/47/167014047.db2.gz HUQVVIAMAUSNFB-JQWIXIFHSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)C[NH2+][C@H](C(N)=O)c1ccc(O)cc1 ZINC000037946215 167014211 /nfs/dbraw/zinc/01/42/11/167014211.db2.gz PVUDXPFFGUCTDS-NSHDSACASA-N 1 0 222.288 1.164 10 0 BDAERO CC(C)NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000046502070 167042455 /nfs/dbraw/zinc/04/24/55/167042455.db2.gz BZCXKZPBPAHIRW-QWRGUYRKSA-N 1 0 228.336 1.010 10 0 BDAERO CC(C)NC(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055145231 167083877 /nfs/dbraw/zinc/08/38/77/167083877.db2.gz CHXBBJMHQCEUHM-MNOVXSKESA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)NC(=S)N1CCC[C@@H]1C[NH+](C)C ZINC000071084463 167092675 /nfs/dbraw/zinc/09/26/75/167092675.db2.gz RLGKVVWBUFBCGG-SNVBAGLBSA-N 1 0 229.393 1.295 10 0 BDAERO CC(C)[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000037389697 167097635 /nfs/dbraw/zinc/09/76/35/167097635.db2.gz BTTMUGSJUSLZQW-UHFFFAOYSA-N 1 0 227.695 1.672 10 0 BDAERO CC(C)[NH2+]CCCC(=O)NCc1ccccn1 ZINC000037632756 167100294 /nfs/dbraw/zinc/10/02/94/167100294.db2.gz VTXKQQHFQILKSN-UHFFFAOYSA-N 1 0 235.331 1.476 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)COc1cccs1 ZINC000033872979 167110487 /nfs/dbraw/zinc/11/04/87/167110487.db2.gz UWIWUJKCNHBMMC-SECBINFHSA-N 1 0 215.318 1.486 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCCN1C[C@@H]1CCOC1 ZINC000053651815 167110677 /nfs/dbraw/zinc/11/06/77/167110677.db2.gz BDDLEMFMFFKESN-KBPBESRZSA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N1CCOC[C@@H]1C ZINC000052475724 167114054 /nfs/dbraw/zinc/11/40/54/167114054.db2.gz DYDMHHORZRELDQ-QWRGUYRKSA-N 1 0 200.326 1.094 10 0 BDAERO CC(C)[NH2+]Cc1c(N(C)C)nc2ccccn21 ZINC000035434259 167116864 /nfs/dbraw/zinc/11/68/64/167116864.db2.gz OVHZUOIJOCRGJU-UHFFFAOYSA-N 1 0 232.331 1.898 10 0 BDAERO CC(C)[NH2+]Cc1nnnn1C1CCCC1 ZINC000054745765 167124127 /nfs/dbraw/zinc/12/41/27/167124127.db2.gz AWPAXGMMTZKQJQ-UHFFFAOYSA-N 1 0 209.297 1.286 10 0 BDAERO CC(C)N[C@@](C)(C[N@@H+]1CCCC1(C)C)C(N)=O ZINC000063072798 167137296 /nfs/dbraw/zinc/13/72/96/167137296.db2.gz VWKPFJNQSQYIAK-ZDUSSCGKSA-N 1 0 241.379 1.103 10 0 BDAERO CC(C)[NH2+][C@H](CC[N@@H+]1CCCC1(C)C)C(=O)[O-] ZINC000063072881 167137747 /nfs/dbraw/zinc/13/77/47/167137747.db2.gz ZVCKQAFTZGAPCO-LLVKDONJSA-N 1 0 242.363 1.702 10 0 BDAERO CC(C)[NH2+][C@](C)(CO)c1ccc(O)cc1 ZINC000038115576 167143021 /nfs/dbraw/zinc/14/30/21/167143021.db2.gz YPBMFOLKFIVTIV-GFCCVEGCSA-N 1 0 209.289 1.598 10 0 BDAERO CC(C)OC(=O)NCC[N@H+]1CC=CCC1 ZINC000295812574 167164370 /nfs/dbraw/zinc/16/43/70/167164370.db2.gz BKPFQMLEFXVWQM-UHFFFAOYSA-N 1 0 212.293 1.383 10 0 BDAERO CC[NH+](CC)CCOc1cccc(CO)c1 ZINC000020031877 169782850 /nfs/dbraw/zinc/78/28/50/169782850.db2.gz HQERSBMLAAUIQM-UHFFFAOYSA-N 1 0 223.316 1.900 10 0 BDAERO CC(C)OCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000161299553 167237234 /nfs/dbraw/zinc/23/72/34/167237234.db2.gz PBLZQRHLBJQNCU-NWDGAFQWSA-N 1 0 242.363 1.435 10 0 BDAERO CC(C)OCCOC[C@H](O)C[NH2+][C@H](C)C1CC1 ZINC000037889469 167248294 /nfs/dbraw/zinc/24/82/94/167248294.db2.gz GEHRBNGHOFQTJG-DGCLKSJQSA-N 1 0 245.363 1.177 10 0 BDAERO CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000071522653 167299563 /nfs/dbraw/zinc/29/95/63/167299563.db2.gz UUMBTSBYGZBUPT-ZDUSSCGKSA-N 1 0 220.316 1.708 10 0 BDAERO CC(C)Oc1ncc(OC2CC2)cc1C[NH3+] ZINC000095737721 167314329 /nfs/dbraw/zinc/31/43/29/167314329.db2.gz DTPINYSSACRTHI-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)Oc1ncc(C[NH3+])cc1Cl ZINC000051526510 167314556 /nfs/dbraw/zinc/31/45/56/167314556.db2.gz WKOHJYNSFWWQGA-UHFFFAOYSA-N 1 0 200.669 1.981 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)C1([NH3+])CCCC1 ZINC000037654869 167362988 /nfs/dbraw/zinc/36/29/88/167362988.db2.gz OFWKWAUTGPBXHC-SNVBAGLBSA-N 1 0 212.337 1.761 10 0 BDAERO CC(C)[C@@H](CCC[NH3+])C(=O)NC(C)(C)C ZINC000076608435 167390246 /nfs/dbraw/zinc/39/02/46/167390246.db2.gz BGGVXGBMZFTASV-SNVBAGLBSA-N 1 0 214.353 1.912 10 0 BDAERO CC(C)[C@@H](C[NH3+])c1nnc2n1CCCC2 ZINC000083288329 167396924 /nfs/dbraw/zinc/39/69/24/167396924.db2.gz XTOCJGAGCCCYRT-SECBINFHSA-N 1 0 208.309 1.313 10 0 BDAERO CC(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000135365933 167473694 /nfs/dbraw/zinc/47/36/94/167473694.db2.gz ZDLWLQUVUDCXJX-JHJVBQTASA-N 1 0 238.375 1.866 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000309982556 410992994 /nfs/dbraw/zinc/99/29/94/410992994.db2.gz GQHVWGDUGHGRMB-MGPQQGTHSA-N 1 0 238.375 1.460 10 0 BDAERO COCC[C@H](C)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401592944 411011349 /nfs/dbraw/zinc/01/13/49/411011349.db2.gz SPHUQPFALFEKLS-VWYCJHECSA-N 1 0 201.310 1.114 10 0 BDAERO CC(C)Oc1cncc(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000300047461 411078801 /nfs/dbraw/zinc/07/88/01/411078801.db2.gz DVZTWZRCWFLJDP-NXEZZACHSA-N 1 0 236.319 1.047 10 0 BDAERO C[N@@H+](C[C@@H]1CCC[C@@H](O)C1)C[C@@H]1CCCOC1 ZINC000393819855 411080637 /nfs/dbraw/zinc/08/06/37/411080637.db2.gz AIAXQNKWZHUDCD-HZSPNIEDSA-N 1 0 241.375 1.896 10 0 BDAERO C[N@H+](C[C@@H]1CCCOC1)C[C@H]1CCC[C@@H](O)C1 ZINC000393819859 411081229 /nfs/dbraw/zinc/08/12/29/411081229.db2.gz AIAXQNKWZHUDCD-MELADBBJSA-N 1 0 241.375 1.896 10 0 BDAERO CCC1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000042581972 411019215 /nfs/dbraw/zinc/01/92/15/411019215.db2.gz YJOPVAJWPDEVBV-WHXUTIOJSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@@H]([NH3+])C(=O)NC1CCC(CC)CC1 ZINC000042581946 411020131 /nfs/dbraw/zinc/02/01/31/411020131.db2.gz DCZAWTOLOAEGFK-VQXHTEKXSA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)c1ccc([C@H](CO)N2CC[NH2+]CC2)cc1 ZINC000038120856 167618214 /nfs/dbraw/zinc/61/82/14/167618214.db2.gz JHKKRIYBFRBBIX-HNNXBMFYSA-N 1 0 248.370 1.749 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC000309504611 411156338 /nfs/dbraw/zinc/15/63/38/411156338.db2.gz MQCNZTYMDHTIQV-UWVGGRQHSA-N 1 0 212.337 1.537 10 0 BDAERO CC(C)c1nn2c(nnc2[C@@H](C)[NH3+])s1 ZINC000082533557 167703697 /nfs/dbraw/zinc/70/36/97/167703697.db2.gz FNRUWMAXKGLNRE-RXMQYKEDSA-N 1 0 211.294 1.329 10 0 BDAERO CCOCCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000388492948 411112100 /nfs/dbraw/zinc/11/21/00/411112100.db2.gz IGQWGVGAHHPFJF-NSHDSACASA-N 1 0 230.352 1.293 10 0 BDAERO CN(CCC1CC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000309557723 411171559 /nfs/dbraw/zinc/17/15/59/411171559.db2.gz NDNHTQJTLAFZMO-NEPJUHHUSA-N 1 0 224.348 1.620 10 0 BDAERO COCC1(CC(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000401314482 411191216 /nfs/dbraw/zinc/19/12/16/411191216.db2.gz ZASRUPOWMMQLLG-MNOVXSKESA-N 1 0 240.347 1.060 10 0 BDAERO CC(C)CCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000128971111 411192903 /nfs/dbraw/zinc/19/29/03/411192903.db2.gz USXJJGGGIYLZKB-NSHDSACASA-N 1 0 214.353 1.912 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCCO1 ZINC000128971794 411193615 /nfs/dbraw/zinc/19/36/15/411193615.db2.gz ZMNBNMPGXGCFMX-QWRGUYRKSA-N 1 0 228.336 1.045 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000658036822 411212594 /nfs/dbraw/zinc/21/25/94/411212594.db2.gz RONVKNQJUJCUHP-VXGBXAGGSA-N 1 0 228.405 1.956 10 0 BDAERO Cc1ncsc1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000129057574 411216397 /nfs/dbraw/zinc/21/63/97/411216397.db2.gz PZPJTCYKCCRUQE-SECBINFHSA-N 1 0 241.360 1.441 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1cc(F)cc(F)c1 ZINC000658052750 411219696 /nfs/dbraw/zinc/21/96/96/411219696.db2.gz GVSVTUZQZCEHMA-WRWORJQWSA-N 1 0 240.253 1.504 10 0 BDAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000658053234 411221465 /nfs/dbraw/zinc/22/14/65/411221465.db2.gz LFFQXNXIYLSEQV-GMTAPVOTSA-N 1 0 210.321 1.433 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCC[C@H]1C ZINC000128845422 411246885 /nfs/dbraw/zinc/24/68/85/411246885.db2.gz FCGCXFRPYLPOIF-GHMZBOCLSA-N 1 0 212.337 1.761 10 0 BDAERO CC(C)[C@H](C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000129094176 411223432 /nfs/dbraw/zinc/22/34/32/411223432.db2.gz YZWGITFLVUDVOS-MNOVXSKESA-N 1 0 214.353 1.768 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000659294943 411223549 /nfs/dbraw/zinc/22/35/49/411223549.db2.gz PAFAUBQYTJDZFU-WUHRBBMRSA-N 1 0 236.359 1.762 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CS1 ZINC000655764074 411224494 /nfs/dbraw/zinc/22/44/94/411224494.db2.gz VJHLSOKWVPFJTP-RCWTZXSCSA-N 1 0 242.388 1.527 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(F)cn1 ZINC000129108881 411230005 /nfs/dbraw/zinc/23/00/05/411230005.db2.gz DPMOVRXVLZDYRH-SECBINFHSA-N 1 0 225.267 1.533 10 0 BDAERO COC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C(C)C ZINC000129103165 411230235 /nfs/dbraw/zinc/23/02/35/411230235.db2.gz MOPIBQXMDFHFGU-GHMZBOCLSA-N 1 0 230.352 1.147 10 0 BDAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)CC1(O)CCCC1 ZINC000310466563 411238082 /nfs/dbraw/zinc/23/80/82/411238082.db2.gz ZSOXOZIXPMBXRM-QWHCGFSZSA-N 1 0 241.375 1.774 10 0 BDAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000111264014 411165294 /nfs/dbraw/zinc/16/52/94/411165294.db2.gz ACAUEQMACZQGGF-OUAUKWLOSA-N 1 0 233.315 1.114 10 0 BDAERO CCN(CC[NH3+])c1nc2ccccc2nc1C ZINC000111374721 411167476 /nfs/dbraw/zinc/16/74/76/411167476.db2.gz WUIUXABMHPRNSE-UHFFFAOYSA-N 1 0 230.315 1.723 10 0 BDAERO O=C(N[C@H]1CCCCC[NH2+]C1)C1CCC1 ZINC000536959389 411265886 /nfs/dbraw/zinc/26/58/86/411265886.db2.gz IVUHCSOIJHZMAN-NSHDSACASA-N 1 0 210.321 1.435 10 0 BDAERO Cc1csc(NC(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000128877947 411271071 /nfs/dbraw/zinc/27/10/71/411271071.db2.gz MAANPXXOSFIFKS-MRVPVSSYSA-N 1 0 227.333 1.763 10 0 BDAERO Nc1cc([C@H]2CCCC[N@@H+]2CCO)ccn1 ZINC000616613860 411280375 /nfs/dbraw/zinc/28/03/75/411280375.db2.gz CHANUYFPOBVPEF-LLVKDONJSA-N 1 0 221.304 1.183 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC000129444597 411287582 /nfs/dbraw/zinc/28/75/82/411287582.db2.gz XEQACNYGXCUJPE-SDDRHHMPSA-N 1 0 222.332 1.599 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000310928003 411290931 /nfs/dbraw/zinc/29/09/31/411290931.db2.gz LAMXTGJLSCEJEK-JOYOIKCWSA-N 1 0 243.310 1.730 10 0 BDAERO C[C@@H](NC(=O)CC[NH2+]C1CC1)C1CCCC1 ZINC000069805791 411295678 /nfs/dbraw/zinc/29/56/78/411295678.db2.gz MJTQSXWRICUOTH-SNVBAGLBSA-N 1 0 224.348 1.823 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)C[C@H]12 ZINC000659304797 411297610 /nfs/dbraw/zinc/29/76/10/411297610.db2.gz CUNQKSNASCHBFX-IZMFDJJNSA-N 1 0 248.370 1.618 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCOCC1 ZINC000393856406 411298212 /nfs/dbraw/zinc/29/82/12/411298212.db2.gz UJTASBQFDARPKE-SDDRHHMPSA-N 1 0 240.347 1.047 10 0 BDAERO CN1C[C@H](C[NH2+][C@H]2CCCC23CC3)CC1=O ZINC000658239794 411308303 /nfs/dbraw/zinc/30/83/03/411308303.db2.gz DXNAQCILVUYJLX-QWRGUYRKSA-N 1 0 222.332 1.387 10 0 BDAERO Cc1cnc(NCC2([NH3+])CCCC2)nc1C ZINC000656610855 411308455 /nfs/dbraw/zinc/30/84/55/411308455.db2.gz SEGGWVSXXKJIPB-UHFFFAOYSA-N 1 0 220.320 1.777 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1nc2ccccc2o1 ZINC000656610624 411308613 /nfs/dbraw/zinc/30/86/13/411308613.db2.gz GWDFDNZVKWLQBQ-UHFFFAOYSA-N 1 0 229.283 1.755 10 0 BDAERO CN(CC(C)(C)[NH3+])c1cnc2ccccc2n1 ZINC000656609826 411308902 /nfs/dbraw/zinc/30/89/02/411308902.db2.gz VYNSIWXOHWATPY-UHFFFAOYSA-N 1 0 230.315 1.803 10 0 BDAERO CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCCOC1 ZINC000402710180 411309309 /nfs/dbraw/zinc/30/93/09/411309309.db2.gz RXSIUPNAEUSZPU-IJLUTSLNSA-N 1 0 240.347 1.141 10 0 BDAERO CCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000402710182 411309654 /nfs/dbraw/zinc/30/96/54/411309654.db2.gz RXSIUPNAEUSZPU-UTUOFQBUSA-N 1 0 240.347 1.141 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658243371 411310530 /nfs/dbraw/zinc/31/05/30/411310530.db2.gz CSVANRRIPHGAGD-GARJFASQSA-N 1 0 212.337 1.489 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1ccc(F)cn1 ZINC000656611551 411310608 /nfs/dbraw/zinc/31/06/08/411310608.db2.gz ASKLBSGUZDKFOJ-UHFFFAOYSA-N 1 0 207.252 1.148 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658246071 411311162 /nfs/dbraw/zinc/31/11/62/411311162.db2.gz WYPGNODKECOQBM-ZJUUUORDSA-N 1 0 210.321 1.243 10 0 BDAERO CC(C)Oc1cncc(NC[C@H](C)[NH3+])n1 ZINC000070580169 411317850 /nfs/dbraw/zinc/31/78/50/411317850.db2.gz UIAQXQAMBMLWGC-QMMMGPOBSA-N 1 0 210.281 1.023 10 0 BDAERO CCn1nc(C)c([C@@H](C)[NH2+]C/C=C/CO)c1C ZINC000658132534 411256494 /nfs/dbraw/zinc/25/64/94/411256494.db2.gz IFVOYMZPTKRPOW-VQCYPWCPSA-N 1 0 237.347 1.719 10 0 BDAERO CC1(C)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000336759059 167942587 /nfs/dbraw/zinc/94/25/87/167942587.db2.gz ZWVKMIJELQDJMV-SNVBAGLBSA-N 1 0 245.388 1.732 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccccn1 ZINC000128871127 411260472 /nfs/dbraw/zinc/26/04/72/411260472.db2.gz IFVZTWAXXVYMBQ-LLVKDONJSA-N 1 0 221.304 1.071 10 0 BDAERO C[C@@H]([NH2+]C1CC(CO)C1)c1nccs1 ZINC000658355960 411353551 /nfs/dbraw/zinc/35/35/51/411353551.db2.gz LAXSSIUUMWTVAM-AFPNSQJFSA-N 1 0 212.318 1.565 10 0 BDAERO Cc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])ncn1 ZINC000069727399 411360233 /nfs/dbraw/zinc/36/02/33/411360233.db2.gz LAMYQRZMKNZQQZ-ONGXEEELSA-N 1 0 220.320 1.349 10 0 BDAERO CCC(C)(C)[C@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000659340348 411367761 /nfs/dbraw/zinc/36/77/61/411367761.db2.gz STVISAUQNNKSEV-VHSXEESVSA-N 1 0 212.337 1.537 10 0 BDAERO CC(C)(F)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000659357942 411374277 /nfs/dbraw/zinc/37/42/77/411374277.db2.gz DGJQKYGKIRCSMD-UWVGGRQHSA-N 1 0 230.327 1.758 10 0 BDAERO CC(C)CCC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403988189 411372344 /nfs/dbraw/zinc/37/23/44/411372344.db2.gz IGTAYZGFVJTTDW-VXGBXAGGSA-N 1 0 240.347 1.012 10 0 BDAERO CC1CCC(C[NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000063145296 411342989 /nfs/dbraw/zinc/34/29/89/411342989.db2.gz IUPZIMUWZOBJAX-HCWSGVFWSA-N 1 0 213.321 1.162 10 0 BDAERO CC1(C)[C@H]([NH2+]CCN2CCC2)[C@H]2CCO[C@H]21 ZINC000336746515 168005487 /nfs/dbraw/zinc/00/54/87/168005487.db2.gz RKJXNLVQKKASJW-IJLUTSLNSA-N 1 0 224.348 1.095 10 0 BDAERO CC1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000227430639 168035103 /nfs/dbraw/zinc/03/51/03/168035103.db2.gz WOSYUWPMBPNPRR-GHMZBOCLSA-N 1 0 224.348 1.668 10 0 BDAERO CC1([NH2+][C@@H]2CCCCNC2=O)CCCC1 ZINC000042187390 168064465 /nfs/dbraw/zinc/06/44/65/168064465.db2.gz NSYFYJKZDCFYDD-SNVBAGLBSA-N 1 0 210.321 1.577 10 0 BDAERO CC1CC(=O)N([C@@H]2CCCC[C@H]2[NH3+])C(=O)C1 ZINC000061829069 168138555 /nfs/dbraw/zinc/13/85/55/168138555.db2.gz HSFXRTURQNCZDD-NXEZZACHSA-N 1 0 224.304 1.041 10 0 BDAERO C[C@@H]([NH3+])c1ccc(N2C(=O)CC(C)CC2=O)cc1 ZINC000061828944 168139076 /nfs/dbraw/zinc/13/90/76/168139076.db2.gz ZXJKJVABJUPWLV-SNVBAGLBSA-N 1 0 246.310 1.996 10 0 BDAERO CC1CC(=O)N(C2CCC([NH3+])CC2)C(=O)C1 ZINC000061828968 168139588 /nfs/dbraw/zinc/13/95/88/168139588.db2.gz GXSIPSLVCQGYIN-UHFFFAOYSA-N 1 0 224.304 1.041 10 0 BDAERO CC1CCC(C[NH2+][C@@H]2CC(=O)N(C)C2)CC1 ZINC000336653384 168156278 /nfs/dbraw/zinc/15/62/78/168156278.db2.gz JLZISIMNWPRWLY-HTAVTVPLSA-N 1 0 224.348 1.633 10 0 BDAERO CC1CCC(CO)([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000053118544 168156550 /nfs/dbraw/zinc/15/65/50/168156550.db2.gz JWHCBFDINJYDSV-QZQSVVMZSA-N 1 0 227.348 1.431 10 0 BDAERO CC1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000019412560 168161095 /nfs/dbraw/zinc/16/10/95/168161095.db2.gz GPETVILHQBKOJK-ILDUYXDCSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@]1(C)CC1(F)F ZINC000659360216 411376084 /nfs/dbraw/zinc/37/60/84/411376084.db2.gz BDUPFIVOJPHVOD-NGZCFLSTSA-N 1 0 246.301 1.536 10 0 BDAERO CC1CCN(C(=O)[C@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000051791882 168176505 /nfs/dbraw/zinc/17/65/05/168176505.db2.gz UFKNILTYTIDBOM-RYUDHWBXSA-N 1 0 224.348 1.633 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](C(=O)NCCc2ccoc2)C1 ZINC000659360884 411376631 /nfs/dbraw/zinc/37/66/31/411376631.db2.gz KUXOILAUUDKGRJ-NEPJUHHUSA-N 1 0 236.315 1.456 10 0 BDAERO C[C@@H](CC(N)=S)[NH+]1CCC(C)CC1 ZINC000041210410 168186761 /nfs/dbraw/zinc/18/67/61/168186761.db2.gz IEPWZTROSLRHQA-VIFPVBQESA-N 1 0 200.351 1.783 10 0 BDAERO CC1CC[NH+]([C@]2(CN)CCCSC2)CC1 ZINC000061589824 168187424 /nfs/dbraw/zinc/18/74/24/168187424.db2.gz XXKHIQRTQIIEAO-LBPRGKRZSA-N 1 0 228.405 1.943 10 0 BDAERO CC1CC[NH+]([C@H](CN)[C@@H]2CCOC2)CC1 ZINC000022169904 168187604 /nfs/dbraw/zinc/18/76/04/168187604.db2.gz ZXVWRJRFOMMKNS-VXGBXAGGSA-N 1 0 212.337 1.082 10 0 BDAERO CCC(=O)N(C)Cc1cccc(C[NH3+])c1 ZINC000037034713 168211125 /nfs/dbraw/zinc/21/11/25/168211125.db2.gz VSQZQCHULAHYNL-UHFFFAOYSA-N 1 0 206.289 1.514 10 0 BDAERO CCC(=O)N1c2cc(C[NH3+])ccc2C[C@@H]1C ZINC000049456040 168227760 /nfs/dbraw/zinc/22/77/60/168227760.db2.gz XAFKYYLCXNIQAV-VIFPVBQESA-N 1 0 218.300 1.833 10 0 BDAERO CCC(C)(C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000054403798 168263296 /nfs/dbraw/zinc/26/32/96/168263296.db2.gz ZETUOLRTUMANNR-VHSXEESVSA-N 1 0 210.321 1.243 10 0 BDAERO CCC(C)(C)NC(=O)C1([NH3+])CCCCC1 ZINC000019432388 168287820 /nfs/dbraw/zinc/28/78/20/168287820.db2.gz XONXATOCYHUYEY-UHFFFAOYSA-N 1 0 212.337 1.953 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000019435859 168295383 /nfs/dbraw/zinc/29/53/83/168295383.db2.gz QQFFZFTYQPTERE-NXEZZACHSA-N 1 0 212.337 1.822 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000051791940 168296889 /nfs/dbraw/zinc/29/68/89/168296889.db2.gz AOJQFOMXNYJNJS-UWVGGRQHSA-N 1 0 212.337 1.679 10 0 BDAERO Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCO2)n1C ZINC000657308813 411457706 /nfs/dbraw/zinc/45/77/06/411457706.db2.gz CCOOIACPKVODEQ-SKDRFNHKSA-N 1 0 223.320 1.386 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000659312817 411393237 /nfs/dbraw/zinc/39/32/37/411393237.db2.gz ITWZXHACLOTLJV-IYKVGLELSA-N 1 0 222.332 1.371 10 0 BDAERO C[C@H](O)C[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000306813086 411460721 /nfs/dbraw/zinc/46/07/21/411460721.db2.gz CKHYGVPXDIJEPM-STQMWFEESA-N 1 0 236.359 1.477 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659380081 411395266 /nfs/dbraw/zinc/39/52/66/411395266.db2.gz WTMHYISFMBYDPN-CWSCBRNRSA-N 1 0 224.348 1.809 10 0 BDAERO CC[C@H](C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000659339985 411398553 /nfs/dbraw/zinc/39/85/53/411398553.db2.gz FNOTZOIFOVAOPC-NWDGAFQWSA-N 1 0 226.364 1.929 10 0 BDAERO CC[C@@H]([NH2+]Cc1cn(C)nn1)C(C)(C)C ZINC000389872875 411399260 /nfs/dbraw/zinc/39/92/60/411399260.db2.gz KEWWNEUIHCKMPQ-SNVBAGLBSA-N 1 0 210.325 1.729 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000659340927 411400174 /nfs/dbraw/zinc/40/01/74/411400174.db2.gz PCJGHWLBGPDZJM-TUAOUCFPSA-N 1 0 226.364 1.914 10 0 BDAERO C[C@@]1(CNC(=O)C[C@H]2CCC[NH2+]C2)CC1(F)F ZINC000659360685 411402942 /nfs/dbraw/zinc/40/29/42/411402942.db2.gz FCXOOXVPBGSILZ-KOLCDFICSA-N 1 0 246.301 1.538 10 0 BDAERO [NH3+]CC1(CCNc2cn[nH]c(=O)c2Cl)CC1 ZINC000404817477 411408393 /nfs/dbraw/zinc/40/83/93/411408393.db2.gz BUCMFRWRPXMMJQ-UHFFFAOYSA-N 1 0 242.710 1.377 10 0 BDAERO Cc1ocnc1C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186534421 411409871 /nfs/dbraw/zinc/40/98/71/411409871.db2.gz IHNFXADGBSBRKE-SNVBAGLBSA-N 1 0 249.314 1.340 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cc2ccccc2[nH]1 ZINC000306058505 411432479 /nfs/dbraw/zinc/43/24/79/411432479.db2.gz VTNYFYANFMCZME-VIFPVBQESA-N 1 0 231.299 1.506 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000122589496 411433420 /nfs/dbraw/zinc/43/34/20/411433420.db2.gz WVPXCYNLUVUEHA-TXEJJXNPSA-N 1 0 246.358 1.564 10 0 BDAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC1 ZINC000336727530 411436419 /nfs/dbraw/zinc/43/64/19/411436419.db2.gz HIZWGVFVKVZVQA-RYUDHWBXSA-N 1 0 214.328 1.810 10 0 BDAERO CC[C@@H]1CN(c2cc(C)ccn2)CC[C@@H]1[NH3+] ZINC000122948459 411436758 /nfs/dbraw/zinc/43/67/58/411436758.db2.gz XVWWOVJPHFZZJC-NEPJUHHUSA-N 1 0 219.332 1.954 10 0 BDAERO FCC[C@H]1CCC[C@H]1[NH2+]CCN1CCC1 ZINC000336727532 411436850 /nfs/dbraw/zinc/43/68/50/411436850.db2.gz HIZWGVFVKVZVQA-VXGBXAGGSA-N 1 0 214.328 1.810 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCC1(CO)CCCCC1 ZINC000123202533 411438249 /nfs/dbraw/zinc/43/82/49/411438249.db2.gz JHBKLBBCDSVAFS-NSHDSACASA-N 1 0 242.363 1.173 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCS[C@@H](C)C1 ZINC000123339807 411449772 /nfs/dbraw/zinc/44/97/72/411449772.db2.gz ILEJCLYAWDZZNL-VHSXEESVSA-N 1 0 230.377 1.324 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000657373547 411482865 /nfs/dbraw/zinc/48/28/65/411482865.db2.gz YWQHVRCRRXLNQI-AAEUAGOBSA-N 1 0 249.358 1.470 10 0 BDAERO CC(C)n1ccnc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000657378260 411487389 /nfs/dbraw/zinc/48/73/89/411487389.db2.gz JRZZZESNFGYVIU-VXGBXAGGSA-N 1 0 237.347 1.715 10 0 BDAERO COc1cccc(CN2C[C@H](C)[C@H]([NH3+])C2)c1F ZINC000300048476 411488707 /nfs/dbraw/zinc/48/87/07/411488707.db2.gz KMQWNEPDPUEDRA-GXSJLCMTSA-N 1 0 238.306 1.613 10 0 BDAERO C[C@@H](C1CC1)N(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000127481124 411490764 /nfs/dbraw/zinc/49/07/64/411490764.db2.gz MUUDWIJFUXZKNS-GXFFZTMASA-N 1 0 224.348 1.776 10 0 BDAERO CC[NH+]1CCC(CNC(F)(F)F)CC1 ZINC000095091288 169951651 /nfs/dbraw/zinc/95/16/51/169951651.db2.gz NTDLAZOSMGNRTM-UHFFFAOYSA-N 1 0 210.243 1.828 10 0 BDAERO COC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000659989043 411521404 /nfs/dbraw/zinc/52/14/04/411521404.db2.gz AKCGKPOHZCOBOP-AGIUHOORSA-N 1 0 227.348 1.648 10 0 BDAERO CC[C@H](CC(F)F)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000659997305 411524154 /nfs/dbraw/zinc/52/41/54/411524154.db2.gz BGUNQRGBYBQZHW-NXEZZACHSA-N 1 0 237.290 1.361 10 0 BDAERO CCN1CC[NH+]=C1/C=C/c1cccnc1 ZINC000013491700 169999265 /nfs/dbraw/zinc/99/92/65/169999265.db2.gz BUXIWFCSVUWGMN-AATRIKPKSA-N 1 0 201.273 1.829 10 0 BDAERO CC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190691476 170006800 /nfs/dbraw/zinc/00/68/00/170006800.db2.gz PWTPSPQVCAYQBY-AWEZNQCLSA-N 1 0 233.359 1.855 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H](C)CCOC)C1 ZINC000328143537 170012350 /nfs/dbraw/zinc/01/23/50/170012350.db2.gz BQHMZBXOKAXUOB-WDEREUQCSA-N 1 0 200.326 1.095 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000328286477 170013119 /nfs/dbraw/zinc/01/31/19/170013119.db2.gz SZSOZZLZYSUFOQ-WDEREUQCSA-N 1 0 214.378 1.423 10 0 BDAERO CC[N@H+]1CCc2nc(NC)sc2CC1 ZINC000039101487 170025654 /nfs/dbraw/zinc/02/56/54/170025654.db2.gz TVBXHAAWKCTOOW-UHFFFAOYSA-N 1 0 211.334 1.605 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]C2CCSCC2)C1 ZINC000336773369 170029456 /nfs/dbraw/zinc/02/94/56/170029456.db2.gz YOVWBIYHLOKCJX-PWSUYJOCSA-N 1 0 228.405 1.812 10 0 BDAERO CCN1C[C@H]([NH2+]CC(C)(C)COC)[C@@H](C)C1 ZINC000336779236 170034679 /nfs/dbraw/zinc/03/46/79/170034679.db2.gz NQAZRYUFEJRRHL-RYUDHWBXSA-N 1 0 228.380 1.589 10 0 BDAERO CCN1C[C@H]([NH2+][C@@H]2CCSC2)[C@@H](C)C1 ZINC000307522464 170037246 /nfs/dbraw/zinc/03/72/46/170037246.db2.gz YGCPLVVNBQZBSX-AXFHLTTASA-N 1 0 214.378 1.422 10 0 BDAERO CCN1C[C@H]([NH2+][C@H](C)CCOC)[C@@H](C)C1 ZINC000336769770 170037285 /nfs/dbraw/zinc/03/72/85/170037285.db2.gz VBYNYKBBXBIALD-TUAOUCFPSA-N 1 0 214.353 1.341 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000336781207 170038148 /nfs/dbraw/zinc/03/81/48/170038148.db2.gz UBWADSKARBNFQO-WCQYABFASA-N 1 0 221.348 1.455 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000336761633 170039055 /nfs/dbraw/zinc/03/90/55/170039055.db2.gz MWAUFLFAXRKJJG-QJPTWQEYSA-N 1 0 228.405 1.669 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000336758445 170039278 /nfs/dbraw/zinc/03/92/78/170039278.db2.gz JXNQVIAOLGJVNU-IRCOFANPSA-N 1 0 228.405 1.668 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000307522470 170039834 /nfs/dbraw/zinc/03/98/34/170039834.db2.gz YGCPLVVNBQZBSX-GARJFASQSA-N 1 0 214.378 1.422 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000336778920 170040213 /nfs/dbraw/zinc/04/02/13/170040213.db2.gz MRYFIHMWVZEGGX-QNWHQSFQSA-N 1 0 226.364 1.484 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000657521622 411540949 /nfs/dbraw/zinc/54/09/49/411540949.db2.gz AZUMBAKEDDDFRQ-GFCCVEGCSA-N 1 0 229.283 1.146 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1ccccn1 ZINC000076610757 170054008 /nfs/dbraw/zinc/05/40/08/170054008.db2.gz NWIMCJKNCKNFJL-SNVBAGLBSA-N 1 0 221.304 1.040 10 0 BDAERO CCNC(=O)C[C@H](C[NH3+])c1ccccc1OC ZINC000057527675 170070259 /nfs/dbraw/zinc/07/02/59/170070259.db2.gz GVTDNFVPQZYZGQ-SNVBAGLBSA-N 1 0 236.315 1.264 10 0 BDAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC)C(C)C ZINC000042588932 170077351 /nfs/dbraw/zinc/07/73/51/170077351.db2.gz NGMSUUDERRZWBE-ZJUUUORDSA-N 1 0 243.351 1.245 10 0 BDAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037264791 170078170 /nfs/dbraw/zinc/07/81/70/170078170.db2.gz QKONZTZURWJMLY-UWVGGRQHSA-N 1 0 243.351 1.245 10 0 BDAERO CCNC(=O)Nc1ccc(F)cc1C[NH3+] ZINC000082641577 170084297 /nfs/dbraw/zinc/08/42/97/170084297.db2.gz IEHPQTIVKSGQCM-UHFFFAOYSA-N 1 0 211.240 1.426 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccc(C)cc1 ZINC000076616808 170089810 /nfs/dbraw/zinc/08/98/10/170089810.db2.gz BHHGRAAHNZAWCE-ZDUSSCGKSA-N 1 0 234.343 1.954 10 0 BDAERO CCNC(=O)[C@@H](C)Oc1ccc(CC[NH3+])cc1 ZINC000020387555 170090106 /nfs/dbraw/zinc/09/01/06/170090106.db2.gz PDQAWLIPRSOOKA-SNVBAGLBSA-N 1 0 236.315 1.091 10 0 BDAERO CCNC(=O)[C@@H](CC[NH3+])c1ccc(N(C)C)cc1 ZINC000076635821 170090208 /nfs/dbraw/zinc/09/02/08/170090208.db2.gz OLXSRBBZOYQKCC-ZDUSSCGKSA-N 1 0 249.358 1.321 10 0 BDAERO CCNC(=O)[C@H](C[NH3+])Cc1cccc(C)c1C ZINC000050304036 170097356 /nfs/dbraw/zinc/09/73/56/170097356.db2.gz NMXIWWRQJDXKGC-ZDUSSCGKSA-N 1 0 234.343 1.557 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCC[C@H](OCC)C1 ZINC000061299111 170106313 /nfs/dbraw/zinc/10/63/13/170106313.db2.gz DSYOSWIIUFFEFC-NSHDSACASA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+]C1CCN(Cc2ccco2)CC1 ZINC000037241352 170108415 /nfs/dbraw/zinc/10/84/15/170108415.db2.gz QVXGFZUTHQNTCS-UHFFFAOYSA-N 1 0 208.305 1.854 10 0 BDAERO CC[NH2+]CC1CCN(Cc2nnc(C)o2)CC1 ZINC000104429554 170111837 /nfs/dbraw/zinc/11/18/37/170111837.db2.gz DXCDGWTWBHLCEC-UHFFFAOYSA-N 1 0 238.335 1.200 10 0 BDAERO CC[NH2+]CCC(=O)N1CCC[C@H](C)[C@H]1C ZINC000061299377 170112172 /nfs/dbraw/zinc/11/21/72/170112172.db2.gz YVZWEAGEOQTYPK-WDEREUQCSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]CCCNc1ncnc2onc(C)c21 ZINC000071194701 170112761 /nfs/dbraw/zinc/11/27/61/170112761.db2.gz SDKDGBMIBQIOHS-UHFFFAOYSA-N 1 0 235.291 1.338 10 0 BDAERO CC[NH2+]CCN(CC)c1nc2ccccc2[nH]1 ZINC000053707456 170113414 /nfs/dbraw/zinc/11/34/14/170113414.db2.gz WDFQPSHFYSBJCQ-UHFFFAOYSA-N 1 0 232.331 1.999 10 0 BDAERO CC[NH2+]CCc1nc(Cc2ccccn2)no1 ZINC000051784412 170118016 /nfs/dbraw/zinc/11/80/16/170118016.db2.gz ZLYBHQNXKQUBCL-UHFFFAOYSA-N 1 0 232.287 1.207 10 0 BDAERO CC[NH2+]CCn1cnc2cc(F)c(F)cc21 ZINC000053531122 170118464 /nfs/dbraw/zinc/11/84/64/170118464.db2.gz CNAGKLCUSDVVQH-UHFFFAOYSA-N 1 0 225.242 1.924 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccccc1CC ZINC000032014548 170119181 /nfs/dbraw/zinc/11/91/81/170119181.db2.gz UKKLQFZMEPZOIU-GFCCVEGCSA-N 1 0 223.316 1.598 10 0 BDAERO CC[NH2+]C[C@@H](O)COCc1cccc(OC)c1 ZINC000036949054 170119266 /nfs/dbraw/zinc/11/92/66/170119266.db2.gz MMATYRPRMSWEGR-GFCCVEGCSA-N 1 0 239.315 1.182 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2cnccn2)C1 ZINC000053695883 170119624 /nfs/dbraw/zinc/11/96/24/170119624.db2.gz IWUOCMNHMHDONQ-NSHDSACASA-N 1 0 220.320 1.303 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2nccn2C)C1 ZINC000053696206 170119956 /nfs/dbraw/zinc/11/99/56/170119956.db2.gz PZEQQGRKUOYGGY-NSHDSACASA-N 1 0 222.336 1.246 10 0 BDAERO CC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000037871983 170120142 /nfs/dbraw/zinc/12/01/42/170120142.db2.gz UIVVKPDGASECAG-SNVBAGLBSA-N 1 0 201.216 1.608 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1CCn1ccnc1 ZINC000104415991 170120378 /nfs/dbraw/zinc/12/03/78/170120378.db2.gz PEQQYFUSTCEJBC-ZDUSSCGKSA-N 1 0 236.363 1.347 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1ccc(OC)c(OC)c1 ZINC000033468614 170121052 /nfs/dbraw/zinc/12/10/52/170121052.db2.gz DFPXWPCNDUAQHI-CYBMUJFWSA-N 1 0 239.315 1.521 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(C)Cc1ccncc1 ZINC000061229788 170121083 /nfs/dbraw/zinc/12/10/83/170121083.db2.gz QJDYYPCDSZCOJG-NSHDSACASA-N 1 0 235.331 1.286 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1ccccc1OC ZINC000032012226 170121277 /nfs/dbraw/zinc/12/12/77/170121277.db2.gz GZIGZIWYRFSSCU-GFCCVEGCSA-N 1 0 209.289 1.512 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1c1nccn1C ZINC000053698428 170122843 /nfs/dbraw/zinc/12/28/43/170122843.db2.gz SSEWQCPPPPTIEB-LLVKDONJSA-N 1 0 222.336 1.389 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1ccc(F)cc1F ZINC000055032906 170123409 /nfs/dbraw/zinc/12/34/09/170123409.db2.gz ZOJBZFGVMGYEBN-NSHDSACASA-N 1 0 215.243 1.782 10 0 BDAERO CC[NH2+]Cc1cc(CN2CCOC[C@H]2C)on1 ZINC000052475872 170125223 /nfs/dbraw/zinc/12/52/23/170125223.db2.gz KOJZFKWSFCJBMU-SNVBAGLBSA-N 1 0 239.319 1.005 10 0 BDAERO CC[NH2+]Cc1cc(F)ccc1-n1cncn1 ZINC000037236832 170125308 /nfs/dbraw/zinc/12/53/08/170125308.db2.gz HJJZFWLPOBYTJT-UHFFFAOYSA-N 1 0 220.251 1.516 10 0 BDAERO CC[NH2+]Cc1ccc(O[C@@H](C)C(=O)NC)cc1 ZINC000034657614 170127752 /nfs/dbraw/zinc/12/77/52/170127752.db2.gz JLDDBPZSIOLMOC-JTQLQIEISA-N 1 0 236.315 1.309 10 0 BDAERO CC[NH2+]Cc1cnc(-c2cc(C)ccn2)nc1 ZINC000104425845 170129669 /nfs/dbraw/zinc/12/96/69/170129669.db2.gz RCBSMIHRTBUVKN-UHFFFAOYSA-N 1 0 228.299 1.957 10 0 BDAERO CC[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000035229470 170143228 /nfs/dbraw/zinc/14/32/28/170143228.db2.gz XDOVWDYILDTKFX-VIFPVBQESA-N 1 0 208.309 1.675 10 0 BDAERO CC[NH2+][C@@H](CCO)c1cccnc1Cl ZINC000095091364 170145550 /nfs/dbraw/zinc/14/55/50/170145550.db2.gz JMBLUZPRFOXZNT-VIFPVBQESA-N 1 0 214.696 1.768 10 0 BDAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCOCC1 ZINC000043808263 170150681 /nfs/dbraw/zinc/15/06/81/170150681.db2.gz ZKIIUGLRUZMHGF-OLZOCXBDSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1N1CCOC(C)(C)C1 ZINC000043897822 170150997 /nfs/dbraw/zinc/15/09/97/170150997.db2.gz FTZYPXKHOIKKBI-NEPJUHHUSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2nccs2)C1 ZINC000049533906 170151321 /nfs/dbraw/zinc/15/13/21/170151321.db2.gz BKKWHAGPUBAADP-SECBINFHSA-N 1 0 211.334 1.327 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)Cc2ccccc2)C1=O ZINC000062187426 170151543 /nfs/dbraw/zinc/15/15/43/170151543.db2.gz QMCJREZKNLKPBH-GXTWGEPZSA-N 1 0 246.354 1.828 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000049647707 170152327 /nfs/dbraw/zinc/15/23/27/170152327.db2.gz ULGVHERMNUHVBS-CYBMUJFWSA-N 1 0 232.327 1.705 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccco2)C1=O ZINC000049648193 170153082 /nfs/dbraw/zinc/15/30/82/170153082.db2.gz SWCDKAVHYMABAP-VHSXEESVSA-N 1 0 222.288 1.551 10 0 BDAERO CCN[C@@](C)(C(N)=O)c1ccccc1Cl ZINC000037447626 170154974 /nfs/dbraw/zinc/15/49/74/170154974.db2.gz AACOMQQXWNLHAR-LLVKDONJSA-N 1 0 226.707 1.650 10 0 BDAERO CC[NH2+][C@H](C)Cc1nc(CSC)no1 ZINC000061213145 170158512 /nfs/dbraw/zinc/15/85/12/170158512.db2.gz XKGWQBUWRQJXRZ-SSDOTTSWSA-N 1 0 215.322 1.473 10 0 BDAERO CC[NH2+][C@H](C)c1ccc(O[C@H](C)C(N)=O)cc1 ZINC000034819249 170159544 /nfs/dbraw/zinc/15/95/44/170159544.db2.gz HZVPPWVUOHKQLI-NXEZZACHSA-N 1 0 236.315 1.610 10 0 BDAERO CC[NH2+][C@H](C)c1ccccc1O[C@H](C)C(N)=O ZINC000034820824 170159998 /nfs/dbraw/zinc/15/99/98/170159998.db2.gz BAGILGBKHOOCSA-NXEZZACHSA-N 1 0 236.315 1.610 10 0 BDAERO CC[NH2+][C@H](C)c1cnc(N2CCOCC2)s1 ZINC000054900081 170160364 /nfs/dbraw/zinc/16/03/64/170160364.db2.gz VMQVEIYSIVBODN-SECBINFHSA-N 1 0 241.360 1.650 10 0 BDAERO CC[NH2+][C@H](CO)c1cc2c(c(Cl)c1)OCO2 ZINC000038120441 170162134 /nfs/dbraw/zinc/16/21/34/170162134.db2.gz CSDSEEZNPAYJGB-SECBINFHSA-N 1 0 243.690 1.712 10 0 BDAERO CC[NH2+][C@H](CO)c1ccc2c(c1)CCO2 ZINC000038120474 170162414 /nfs/dbraw/zinc/16/24/14/170162414.db2.gz GYRDBQNDJVWTQY-LLVKDONJSA-N 1 0 207.273 1.264 10 0 BDAERO CC[NH2+][C@H]1CCCCC[C@H]1n1cncn1 ZINC000043991424 170165796 /nfs/dbraw/zinc/16/57/96/170165796.db2.gz HZFUFOKCPFJQMS-WDEREUQCSA-N 1 0 208.309 1.761 10 0 BDAERO 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CC[NH2+][C@H]1CCN(c2ccccc2OCC)C1=O ZINC000049647478 170168738 /nfs/dbraw/zinc/16/87/38/170168738.db2.gz RBIJKJWYMWTWQD-NSHDSACASA-N 1 0 248.326 1.800 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cnn(CC)c2)C[C@@H]1C ZINC000049711232 170168843 /nfs/dbraw/zinc/16/88/43/170168843.db2.gz FCKXETPEMZHVJM-AAEUAGOBSA-N 1 0 236.363 1.727 10 0 BDAERO CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C ZINC000043816037 170169854 /nfs/dbraw/zinc/16/98/54/170169854.db2.gz NXDFOHJJGBKOIR-STQMWFEESA-N 1 0 204.317 1.824 10 0 BDAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(OC)c(F)c1 ZINC000037447685 170170112 /nfs/dbraw/zinc/17/01/12/170170112.db2.gz LZHFJLFTGIUVOO-LBPRGKRZSA-N 1 0 240.278 1.144 10 0 BDAERO CC[NH2+][C@](C)(CO)c1c(F)cccc1F ZINC000038120157 170170539 /nfs/dbraw/zinc/17/05/39/170170539.db2.gz CMIBRCKAPDLEKN-LLVKDONJSA-N 1 0 215.243 1.782 10 0 BDAERO CC[NH2+][C@]1(c2nccs2)CCN(C)C1 ZINC000061991840 170170737 /nfs/dbraw/zinc/17/07/37/170170737.db2.gz KLHBLDQMJOMXBC-SNVBAGLBSA-N 1 0 211.334 1.283 10 0 BDAERO CCNc1ncccc1C[N@@H+]1CC[C@H](O)C1 ZINC000061711629 170178126 /nfs/dbraw/zinc/17/81/26/170178126.db2.gz VQVSRORDMUMCIG-NSHDSACASA-N 1 0 221.304 1.080 10 0 BDAERO CCOC(=O)C(=O)c1ccccc1C[NH+](C)C ZINC000075865356 170184577 /nfs/dbraw/zinc/18/45/77/170184577.db2.gz IIRLLVGNJLKQSE-UHFFFAOYSA-N 1 0 235.283 1.494 10 0 BDAERO CCOC(=O)CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904597 170209376 /nfs/dbraw/zinc/20/93/76/170209376.db2.gz AGANSZJLCXYVFX-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO CCOC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000035735555 170210155 /nfs/dbraw/zinc/21/01/55/170210155.db2.gz LOBCQVNQEYKTIY-UWVGGRQHSA-N 1 0 215.293 1.097 10 0 BDAERO CCOC(=O)N(CC[NH3+])Cc1cccc(F)c1 ZINC000253575312 170238762 /nfs/dbraw/zinc/23/87/62/170238762.db2.gz ULRQZQFHAZOXRV-UHFFFAOYSA-N 1 0 240.278 1.743 10 0 BDAERO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCC1 ZINC000336772355 170248462 /nfs/dbraw/zinc/24/84/62/170248462.db2.gz VGHOYHVOGJGRMS-VHSXEESVSA-N 1 0 229.320 1.079 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000084943614 170251839 /nfs/dbraw/zinc/25/18/39/170251839.db2.gz IFYPGGQCKJUNTN-JTQLQIEISA-N 1 0 211.236 1.431 10 0 BDAERO CCOC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049369698 170268145 /nfs/dbraw/zinc/26/81/45/170268145.db2.gz RVMFBGOVFLFLMC-GRYCIOLGSA-N 1 0 242.363 1.258 10 0 BDAERO CCOC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000049369690 170268231 /nfs/dbraw/zinc/26/82/31/170268231.db2.gz RVMFBGOVFLFLMC-SDDRHHMPSA-N 1 0 242.363 1.258 10 0 BDAERO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC1(O)CCC1 ZINC000336772356 170270021 /nfs/dbraw/zinc/27/00/21/170270021.db2.gz VGHOYHVOGJGRMS-ZJUUUORDSA-N 1 0 229.320 1.079 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+][C@H](c2ccccc2)C1 ZINC000095635258 170282251 /nfs/dbraw/zinc/28/22/51/170282251.db2.gz PBHVLJGBLGLONL-NEPJUHHUSA-N 1 0 219.284 1.900 10 0 BDAERO CCOC(=O)c1sc(CC[NH3+])nc1C ZINC000011887488 170310820 /nfs/dbraw/zinc/31/08/20/170310820.db2.gz BAUDCBMKSKBQFJ-UHFFFAOYSA-N 1 0 214.290 1.129 10 0 BDAERO CCOCCCN1CC(C)(C)[NH2+]C[C@H]1C ZINC000041227755 170371442 /nfs/dbraw/zinc/37/14/42/170371442.db2.gz FKQFBLIECWKXCD-LLVKDONJSA-N 1 0 214.353 1.485 10 0 BDAERO CCOCCCN1CC[NH2+][C@H](CC)C1 ZINC000083059996 170373350 /nfs/dbraw/zinc/37/33/50/170373350.db2.gz WDNFADNBUNBJRA-LLVKDONJSA-N 1 0 200.326 1.097 10 0 BDAERO CCOCCC[NH2+]CCN(CCOC)C1CC1 ZINC000053433747 170380270 /nfs/dbraw/zinc/38/02/70/170380270.db2.gz JVIJSCFGMYQKTJ-UHFFFAOYSA-N 1 0 244.379 1.113 10 0 BDAERO CCOCCCNC1=[NH+]CCCS1 ZINC000034971993 170380899 /nfs/dbraw/zinc/38/08/99/170380899.db2.gz AIOJAKGZJSXIFE-UHFFFAOYSA-N 1 0 202.323 1.496 10 0 BDAERO CCC(CC)C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694400 411580380 /nfs/dbraw/zinc/58/03/80/411580380.db2.gz LQLDMXNKAMITJA-LLVKDONJSA-N 1 0 212.337 1.491 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@@H]1CC1(C)C ZINC000657695466 411581055 /nfs/dbraw/zinc/58/10/55/411581055.db2.gz MMEFXABYFBSGGK-DCAQKATOSA-N 1 0 224.348 1.489 10 0 BDAERO CCOC[C@H](C)NC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055138749 170444388 /nfs/dbraw/zinc/44/43/88/170444388.db2.gz SRTIXXDXZDXGKW-SRVKXCTJSA-N 1 0 242.363 1.435 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCC2CCC2)C1 ZINC000660506758 411594924 /nfs/dbraw/zinc/59/49/24/411594924.db2.gz PDKHADOOSANWKK-QWHCGFSZSA-N 1 0 227.348 1.648 10 0 BDAERO OCC1CC([NH2+]Cc2ccc(Cl)o2)C1 ZINC000657808402 411601131 /nfs/dbraw/zinc/60/11/31/411601131.db2.gz IKTXPVCUHZTZGB-UHFFFAOYSA-N 1 0 215.680 1.794 10 0 BDAERO Cc1ccsc1C[NH2+]C1CC(CO)C1 ZINC000657809330 411601794 /nfs/dbraw/zinc/60/17/94/411601794.db2.gz WIQNPRQQEBXFAK-UHFFFAOYSA-N 1 0 211.330 1.917 10 0 BDAERO OCC1CC([NH2+]C[C@H]2CCSC2)C1 ZINC000657810975 411603051 /nfs/dbraw/zinc/60/30/51/411603051.db2.gz PFFRKUNNTDWEAP-XNWIYYODSA-N 1 0 201.335 1.100 10 0 BDAERO CC(C)[C@H]1C[C@H]([NH2+]C2CC(CO)C2)CCO1 ZINC000657810735 411603184 /nfs/dbraw/zinc/60/31/84/411603184.db2.gz JMOBNPLLROHEOH-POOIEITISA-N 1 0 227.348 1.551 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C2CC(CO)C2)CS1 ZINC000657811660 411603373 /nfs/dbraw/zinc/60/33/73/411603373.db2.gz VKQURYZJRAFURN-VKAADOFISA-N 1 0 215.362 1.631 10 0 BDAERO CCO[C@@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186532554 170471128 /nfs/dbraw/zinc/47/11/28/170471128.db2.gz CQWDVBSCVROUJG-QWRGUYRKSA-N 1 0 240.347 1.154 10 0 BDAERO CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000096985381 170505410 /nfs/dbraw/zinc/50/54/10/170505410.db2.gz SCCDVSKVKURXSP-UWVGGRQHSA-N 1 0 244.335 1.360 10 0 BDAERO CCSCC[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000309681654 170639385 /nfs/dbraw/zinc/63/93/85/170639385.db2.gz ZPPSAKZVKFYUJB-JTQLQIEISA-N 1 0 240.376 1.244 10 0 BDAERO CCOc1nccnc1NC[C@@H]1CCC[NH2+]C1 ZINC000516264299 411719825 /nfs/dbraw/zinc/71/98/25/411719825.db2.gz AZDORCYYADQHFY-SNVBAGLBSA-N 1 0 236.319 1.287 10 0 BDAERO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](O)C2)C[C@H](C)[C@H]1O ZINC000661620154 411819793 /nfs/dbraw/zinc/81/97/93/411819793.db2.gz HRIFUQWVVOWWNN-BJJPWKGXSA-N 1 0 241.375 1.486 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@@H](n2ccc(N)n2)C1 ZINC000616652151 411867155 /nfs/dbraw/zinc/86/71/55/411867155.db2.gz FAIRALUQXAZCLL-LLVKDONJSA-N 1 0 222.336 1.901 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cnccn1 ZINC000383421637 487620852 /nfs/dbraw/zinc/62/08/52/487620852.db2.gz PBIPWDZQFWJLDB-GHMZBOCLSA-N 1 0 218.304 1.150 10 0 BDAERO Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)nc(C)n1 ZINC000133594968 411852771 /nfs/dbraw/zinc/85/27/71/411852771.db2.gz OVZKZLNJKXUBOW-LBPRGKRZSA-N 1 0 236.363 1.903 10 0 BDAERO CCOC(=O)N1CCC[C@H](c2ccc(N)nc2)C1 ZINC000616617633 411862681 /nfs/dbraw/zinc/86/26/81/411862681.db2.gz YXLHGQHCMUZDKE-NSHDSACASA-N 1 0 249.314 2.000 10 0 BDAERO C[C@@H]1CC[N@H+](CC2(O)CCC2)C[C@H](C)O1 ZINC000661850295 411901319 /nfs/dbraw/zinc/90/13/19/411901319.db2.gz GTLQBEIAKQCMBG-MNOVXSKESA-N 1 0 213.321 1.401 10 0 BDAERO CC[C@@H](CO)[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033739 170839887 /nfs/dbraw/zinc/83/98/87/170839887.db2.gz JWZOQHMAYFSJTC-JDUUOCRZSA-N 1 0 201.310 1.303 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@H](n2ccc(N)n2)CC1 ZINC000616602223 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ZINC000037479248 171086880 /nfs/dbraw/zinc/08/68/80/171086880.db2.gz AXRDSBDBYQXTCN-NEPJUHHUSA-N 1 0 212.337 1.225 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1C(=O)OC(C)(C)C ZINC000114837846 171100772 /nfs/dbraw/zinc/10/07/72/171100772.db2.gz PDQANZVZHPLKDA-NXEZZACHSA-N 1 0 228.336 1.994 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccco1 ZINC000083085093 171100952 /nfs/dbraw/zinc/10/09/52/171100952.db2.gz WIDXLMOZGLJPFK-WDEREUQCSA-N 1 0 208.305 1.852 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1Cc1ccccc1OC ZINC000083361394 171101371 /nfs/dbraw/zinc/10/13/71/171101371.db2.gz WWUPTHFSEVFXAS-CYBMUJFWSA-N 1 0 234.343 1.879 10 0 BDAERO CC[C@@H]1COCCN1c1nc(C)c(C[NH3+])s1 ZINC000054997896 171107479 /nfs/dbraw/zinc/10/74/79/171107479.db2.gz IXSOJVJFJLUFAK-SECBINFHSA-N 1 0 241.360 1.525 10 0 BDAERO CC[C@@H]1COCCN1Cc1occc1C[NH2+]C ZINC000052481425 171108061 /nfs/dbraw/zinc/10/80/61/171108061.db2.gz ZARYQRQHPUVXSR-GFCCVEGCSA-N 1 0 238.331 1.610 10 0 BDAERO CC[C@@H]1COCCN1[C@@](C)(C[NH3+])C(C)C ZINC000041053674 171108754 /nfs/dbraw/zinc/10/87/54/171108754.db2.gz SPRMCJRWGXTJPL-NEPJUHHUSA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@@]1(C(=O)N[C@H](C)[C@@H]2CCCO2)CC[NH2+]C1 ZINC000062890721 171197027 /nfs/dbraw/zinc/19/70/27/171197027.db2.gz CQFBTADJAWCTOS-NTZNESFSSA-N 1 0 240.347 1.060 10 0 BDAERO CC[C@@]1(c2cccs2)C[C@@]1(C[NH3+])CO ZINC000070501010 171216273 /nfs/dbraw/zinc/21/62/73/171216273.db2.gz MYUSRMATNGZYRE-MNOVXSKESA-N 1 0 211.330 1.737 10 0 BDAERO CC[C@H](C)N(Cc1ccncc1)C(=O)CC[NH3+] ZINC000033465565 171316607 /nfs/dbraw/zinc/31/66/07/171316607.db2.gz DPVIDFQAZZVKPE-NSHDSACASA-N 1 0 235.331 1.558 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1ccccn1 ZINC000076618037 171333918 /nfs/dbraw/zinc/33/39/18/171333918.db2.gz JIWWUBQUDNTNBX-QWRGUYRKSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@@H](C)N(CCOC)C(=O)C[NH2+][C@@H](C)CC ZINC000042591444 171338988 /nfs/dbraw/zinc/33/89/88/171338988.db2.gz YKLKOLZIRRFXLV-NWDGAFQWSA-N 1 0 244.379 1.648 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)Nc1nc(C)cc(C)n1 ZINC000037616966 171339521 /nfs/dbraw/zinc/33/95/21/171339521.db2.gz KOGUEGGLWTUPGG-QMMMGPOBSA-N 1 0 236.319 1.420 10 0 BDAERO CC[C@H](C)[NH2+]CCn1nnc(-c2ccco2)n1 ZINC000053538741 171340843 /nfs/dbraw/zinc/34/08/43/171340843.db2.gz YBVQTNQCMLDLCK-VIFPVBQESA-N 1 0 235.291 1.321 10 0 BDAERO CC[C@H](C)[NH2+]Cc1nnc2nc(C)cc(C)n12 ZINC000037605253 171344587 /nfs/dbraw/zinc/34/45/87/171344587.db2.gz HVMMRBVBFJQODN-QMMMGPOBSA-N 1 0 233.319 1.629 10 0 BDAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CCCSC1 ZINC000061590474 171347056 /nfs/dbraw/zinc/34/70/56/171347056.db2.gz VPRZLOUZRNKCEK-WPRPVWTQSA-N 1 0 216.350 1.126 10 0 BDAERO CC[C@H](C)[C@@H](C[NH3+])N(C)CCc1ccncc1 ZINC000048259545 171369063 /nfs/dbraw/zinc/36/90/63/171369063.db2.gz STYVFKCCTWPOFC-GXTWGEPZSA-N 1 0 235.375 1.929 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccccc1C(N)=O ZINC000019471501 171372346 /nfs/dbraw/zinc/37/23/46/171372346.db2.gz YNDVMYWBTBQRCQ-GZMMTYOYSA-N 1 0 249.314 1.097 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CN1CCCSCC1 ZINC000042444908 171372664 /nfs/dbraw/zinc/37/26/64/171372664.db2.gz HFSBMJYGEMMCLJ-QWRGUYRKSA-N 1 0 216.394 1.799 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000042554638 171390201 /nfs/dbraw/zinc/39/02/01/171390201.db2.gz PNBACQHMMGXCKN-ATZCPNFKSA-N 1 0 238.331 1.301 10 0 BDAERO CC[C@H]([NH3+])Cc1noc(-c2cccnc2)n1 ZINC000054184691 171486615 /nfs/dbraw/zinc/48/66/15/171486615.db2.gz MFENSFMDPBOYEV-VIFPVBQESA-N 1 0 218.260 1.411 10 0 BDAERO CC[C@H]([NH3+])[C@H](c1cccc(C)c1)n1cncn1 ZINC000042967739 171489570 /nfs/dbraw/zinc/48/95/70/171489570.db2.gz QAJVAMSAUXGDJM-STQMWFEESA-N 1 0 230.315 1.913 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@@H](Nc2cc[nH]n2)C1 ZINC000616652139 412202274 /nfs/dbraw/zinc/20/22/74/412202274.db2.gz DMYUPXIXXZEENJ-LLVKDONJSA-N 1 0 238.335 1.669 10 0 BDAERO CC(C)(C)[N@@H+]1CC[C@H](Nc2cc[nH]n2)C1 ZINC000616613969 412202738 /nfs/dbraw/zinc/20/27/38/412202738.db2.gz XJECYTWFWXWXRP-VIFPVBQESA-N 1 0 208.309 1.694 10 0 BDAERO COCc1csc(C(=O)NCC[C@@H](C)[NH3+])c1 ZINC000662407535 412153231 /nfs/dbraw/zinc/15/32/31/412153231.db2.gz ASHISOMNANYWMO-MRVPVSSYSA-N 1 0 242.344 1.362 10 0 BDAERO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1=O)C(C)C ZINC000103326074 171547622 /nfs/dbraw/zinc/54/76/22/171547622.db2.gz MZFTURRSMQRBPY-QWRGUYRKSA-N 1 0 240.347 1.547 10 0 BDAERO [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000662435732 412173211 /nfs/dbraw/zinc/17/32/11/412173211.db2.gz OVLAIYZGOSFICW-OBJOEFQTSA-N 1 0 244.338 1.918 10 0 BDAERO CC(C)(F)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000662662858 412262688 /nfs/dbraw/zinc/26/26/88/412262688.db2.gz JTFBURRRQPOFQY-LBPRGKRZSA-N 1 0 230.327 1.773 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000662667141 412266088 /nfs/dbraw/zinc/26/60/88/412266088.db2.gz YFBFFJOKAJPXMU-YFKTTZPYSA-N 1 0 224.348 1.666 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC[C@@H](CCF)C1 ZINC000662689748 412267544 /nfs/dbraw/zinc/26/75/44/412267544.db2.gz XEACIHJDKUCGRX-QWRGUYRKSA-N 1 0 228.311 1.194 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCc1cccnc1 ZINC000132785530 412283209 /nfs/dbraw/zinc/28/32/09/412283209.db2.gz GGWALHLZKPMYGE-QWHCGFSZSA-N 1 0 247.342 1.258 10 0 BDAERO CC[C@H]1CCCCN1C(=O)C1(C[NH3+])CC1 ZINC000082641491 171605286 /nfs/dbraw/zinc/60/52/86/171605286.db2.gz PPJYDQGLFXRCSX-JTQLQIEISA-N 1 0 210.321 1.516 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000662563782 412219840 /nfs/dbraw/zinc/21/98/40/412219840.db2.gz WJLYDGQBSMLXOQ-PREPNJAASA-N 1 0 222.332 1.289 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCC[C@@H](C)CC ZINC000662626519 412247483 /nfs/dbraw/zinc/24/74/83/412247483.db2.gz INZPGNVZDWCYOK-UWVGGRQHSA-N 1 0 200.326 1.666 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000662627628 412247566 /nfs/dbraw/zinc/24/75/66/412247566.db2.gz RJVNGAMWTQIKCN-GARJFASQSA-N 1 0 214.353 1.912 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NC1CC2(CCC2)C1 ZINC000662906234 412341524 /nfs/dbraw/zinc/34/15/24/412341524.db2.gz KKJBKKGLULHRGM-LLVKDONJSA-N 1 0 236.359 1.825 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662908182 412342005 /nfs/dbraw/zinc/34/20/05/412342005.db2.gz GURPLWCCDBIIRV-LLVKDONJSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1CC2(CCC2)C1 ZINC000662907788 412342362 /nfs/dbraw/zinc/34/23/62/412342362.db2.gz XOIYOIGONJBTTG-PWSUYJOCSA-N 1 0 236.359 1.823 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)C1CCC([NH3+])CC1 ZINC000662917157 412342606 /nfs/dbraw/zinc/34/26/06/412342606.db2.gz JENLQNUZFZWVFJ-ZPPKWKGLSA-N 1 0 224.348 1.809 10 0 BDAERO [NH3+]C1CCC(C(=O)N2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000662911966 412343938 /nfs/dbraw/zinc/34/39/38/412343938.db2.gz FHLAHBWWUFPTLP-BFUDSRACSA-N 1 0 222.332 1.372 10 0 BDAERO CCCOc1nccnc1N[C@@H](C)C[NH2+]C ZINC000630518320 412359433 /nfs/dbraw/zinc/35/94/33/412359433.db2.gz GLURLBQUFGOIKS-VIFPVBQESA-N 1 0 224.308 1.285 10 0 BDAERO CCCOc1nccnc1N[C@@H]1CCC[NH2+]C1 ZINC000630505898 412360647 /nfs/dbraw/zinc/36/06/47/412360647.db2.gz GIDGWTLVOIZLSC-SNVBAGLBSA-N 1 0 236.319 1.429 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000662970963 412360731 /nfs/dbraw/zinc/36/07/31/412360731.db2.gz VYZHFYQLGQYHOY-NXEZZACHSA-N 1 0 236.319 1.055 10 0 BDAERO CC[C@@H](C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662979632 412361436 /nfs/dbraw/zinc/36/14/36/412361436.db2.gz WRQCUYDODBNXJK-RNFRBKRXSA-N 1 0 226.242 1.381 10 0 BDAERO CN(C(=O)CC(C)(C)C)[C@H](C[NH3+])C(F)(F)F ZINC000662975510 412362148 /nfs/dbraw/zinc/36/21/48/412362148.db2.gz IOSGCDBKLCIWLN-SSDOTTSWSA-N 1 0 240.269 1.771 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CN(c2nc3ccccc3o2)CCO1 ZINC000132959663 412376331 /nfs/dbraw/zinc/37/63/31/412376331.db2.gz MRBVCGZVALDFHS-CABZTGNLSA-N 1 0 247.298 1.380 10 0 BDAERO CCc1ccc(-c2nc(CC[NH3+])cc(=O)[nH]2)cc1 ZINC000058055688 171779370 /nfs/dbraw/zinc/77/93/70/171779370.db2.gz MMLMMODWYCLGAY-UHFFFAOYSA-N 1 0 243.310 1.501 10 0 BDAERO CCCc1nccnc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000663273216 412404105 /nfs/dbraw/zinc/40/41/05/412404105.db2.gz YCLZLHNERHWZEO-MNOVXSKESA-N 1 0 234.347 1.603 10 0 BDAERO CCOc1nccnc1NCC12CC(C1)C[NH2+]2 ZINC000663273413 412404113 /nfs/dbraw/zinc/40/41/13/412404113.db2.gz BHFFKMWFDFEVKM-UHFFFAOYSA-N 1 0 234.303 1.039 10 0 BDAERO CCCc1nccnc1N1CCC(CC[NH3+])CC1 ZINC000663274270 412404127 /nfs/dbraw/zinc/40/41/27/412404127.db2.gz MAAVOHYDDUOPMM-UHFFFAOYSA-N 1 0 248.374 1.994 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]([NH3+])[C@@H]1C ZINC000663271674 412404206 /nfs/dbraw/zinc/40/42/06/412404206.db2.gz FJXGOPFOTKJBBN-VHSXEESVSA-N 1 0 220.320 1.355 10 0 BDAERO CCCc1nccnc1N(C)CC(C)(C)C[NH3+] ZINC000663271485 412404615 /nfs/dbraw/zinc/40/46/15/412404615.db2.gz BWWHESCMTLMVQE-UHFFFAOYSA-N 1 0 236.363 1.850 10 0 BDAERO Cc1cc(NCC[C@@H]([NH3+])C(C)C)nc(C)n1 ZINC000663275997 412405041 /nfs/dbraw/zinc/40/50/41/412405041.db2.gz INIFRAWYDHUMJR-LLVKDONJSA-N 1 0 222.336 1.879 10 0 BDAERO CCOc1cc(NCC[C@@H]([NH3+])C(C)C)ncn1 ZINC000663276174 412405640 /nfs/dbraw/zinc/40/56/40/412405640.db2.gz MMAHSYJPHNXHMJ-SNVBAGLBSA-N 1 0 238.335 1.661 10 0 BDAERO CCc1ncnc(NCC[C@@H]([NH3+])C(C)C)c1F ZINC000663276257 412406228 /nfs/dbraw/zinc/40/62/28/412406228.db2.gz OHJOGSFHUXYSQI-SECBINFHSA-N 1 0 240.326 1.963 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ccnc2cccnc21 ZINC000663277936 412407264 /nfs/dbraw/zinc/40/72/64/412407264.db2.gz AGBPEFQRMAZSBF-SECBINFHSA-N 1 0 216.288 1.072 10 0 BDAERO CC(C)(O)C[NH2+]C[C@H]1CCOC1(C)C ZINC000663308338 412414583 /nfs/dbraw/zinc/41/45/83/412414583.db2.gz MTABCFRAJQTDPJ-SECBINFHSA-N 1 0 201.310 1.162 10 0 BDAERO CCc1cccc(C)c1N1C[C@@H]([NH3+])CC1=O ZINC000035679628 171853075 /nfs/dbraw/zinc/85/30/75/171853075.db2.gz ZCSSSHXWJBNLGZ-NSHDSACASA-N 1 0 218.300 1.621 10 0 BDAERO CCc1ccccc1NC(=O)CSCC[NH3+] ZINC000058249239 171885653 /nfs/dbraw/zinc/88/56/53/171885653.db2.gz MBRCFQNMWWQLCJ-UHFFFAOYSA-N 1 0 238.356 1.879 10 0 BDAERO CCc1[nH+]c2cc(N)ccc2n1CCC(=O)NC ZINC000052854878 172010054 /nfs/dbraw/zinc/01/00/54/172010054.db2.gz DDOMDWDSHIYFIY-UHFFFAOYSA-N 1 0 246.314 1.317 10 0 BDAERO CCc1[nH+]c2cc(N)ccc2n1CCOC ZINC000052842243 172011020 /nfs/dbraw/zinc/01/10/20/172011020.db2.gz VXZSPDMXEFYUSR-UHFFFAOYSA-N 1 0 219.288 1.827 10 0 BDAERO CCc1nc2ccccc2n1C[C@H](O)C[NH2+]C ZINC000062807647 172013253 /nfs/dbraw/zinc/01/32/53/172013253.db2.gz HRQGWTIFLLRDPN-SNVBAGLBSA-N 1 0 233.315 1.179 10 0 BDAERO CCc1nc2cccnc2n1C1CC[NH2+]CC1 ZINC000021020837 172013428 /nfs/dbraw/zinc/01/34/28/172013428.db2.gz NCLIMQIZMOOUAU-UHFFFAOYSA-N 1 0 230.315 1.918 10 0 BDAERO CCc1ncnc(N[C@H]2CCC[NH2+]C2)c1C ZINC000045955125 172033596 /nfs/dbraw/zinc/03/35/96/172033596.db2.gz OQSBJZWRLCUWPE-JTQLQIEISA-N 1 0 220.320 1.511 10 0 BDAERO CCc1nnc2n1C[C@H]([NH2+]CC(C)C)CC2 ZINC000309459181 172068333 /nfs/dbraw/zinc/06/83/33/172068333.db2.gz NLTLDONGWVTDLG-SNVBAGLBSA-N 1 0 222.336 1.401 10 0 BDAERO CCc1noc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC000034345808 172090777 /nfs/dbraw/zinc/09/07/77/172090777.db2.gz WWYPODADJAYRCD-SECBINFHSA-N 1 0 207.277 1.441 10 0 BDAERO CCn1c2ccc([C@@H](C)[NH2+]C)cc2oc1=O ZINC000051363338 172133563 /nfs/dbraw/zinc/13/35/63/172133563.db2.gz CIBWEALPVPYUBZ-MRVPVSSYSA-N 1 0 220.272 1.895 10 0 BDAERO CCn1c2ccccc2[n+](CC)c1CO ZINC000005328031 172144750 /nfs/dbraw/zinc/14/47/50/172144750.db2.gz DIAXYDOVAVIXOM-UHFFFAOYSA-N 1 0 205.281 1.461 10 0 BDAERO CCn1c(C[C@H]2COCC[NH2+]2)nc2ccccc21 ZINC000076167453 172145363 /nfs/dbraw/zinc/14/53/63/172145363.db2.gz LPHRZSWIKFYZKR-NSHDSACASA-N 1 0 245.326 1.587 10 0 BDAERO CCn1c(SCC[NH3+])nnc1C(C)C ZINC000058823419 172147236 /nfs/dbraw/zinc/14/72/36/172147236.db2.gz QEWOJEXNQZDGER-UHFFFAOYSA-N 1 0 214.338 1.472 10 0 BDAERO CCn1cc(C[C@H]([NH3+])Cc2ccccn2)cn1 ZINC000050542487 172176716 /nfs/dbraw/zinc/17/67/16/172176716.db2.gz RMSYRGQZUCCVMR-LBPRGKRZSA-N 1 0 230.315 1.411 10 0 BDAERO CCn1cc([C@@H]([NH3+])c2ccccc2)cn1 ZINC000043469234 172194172 /nfs/dbraw/zinc/19/41/72/172194172.db2.gz SPJFWMCGIJYOSM-LBPRGKRZSA-N 1 0 201.273 1.951 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@](C)(O)CSC ZINC000230152095 172207209 /nfs/dbraw/zinc/20/72/09/172207209.db2.gz XEUWJWUZQODPQF-GFCCVEGCSA-N 1 0 242.388 1.712 10 0 BDAERO CCn1ccnc1N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000050614364 172226239 /nfs/dbraw/zinc/22/62/39/172226239.db2.gz ZDZOLBVOYOFOAY-GRYCIOLGSA-N 1 0 234.347 1.467 10 0 BDAERO CCn1cc[nH+]c1N[C@H](C)c1nncn1C ZINC000050614322 172227528 /nfs/dbraw/zinc/22/75/28/172227528.db2.gz KMBXXNOVPTZCTO-MRVPVSSYSA-N 1 0 220.280 1.205 10 0 BDAERO CCn1ccnc1[C@H]([NH3+])c1ccc2c(c1)COC2 ZINC000104226640 172229214 /nfs/dbraw/zinc/22/92/14/172229214.db2.gz VCMKAMDBTHNFGF-CYBMUJFWSA-N 1 0 243.310 1.981 10 0 BDAERO CN(C(=O)C1(C[NH3+])CCCCCC1)C1CC1 ZINC000044762446 172296610 /nfs/dbraw/zinc/29/66/10/172296610.db2.gz IJUVAWAHRGJUOD-UHFFFAOYSA-N 1 0 224.348 1.907 10 0 BDAERO CN(C(=O)C1(C[NH3+])CCCC1)c1ccccn1 ZINC000044762285 172297223 /nfs/dbraw/zinc/29/72/23/172297223.db2.gz XFQHJZKTYXWYAO-UHFFFAOYSA-N 1 0 233.315 1.564 10 0 BDAERO CN(C(=O)C1CCC(F)(F)CC1)C1C[NH2+]C1 ZINC000127118259 172298738 /nfs/dbraw/zinc/29/87/38/172298738.db2.gz SJIQSHZTSBTMKM-UHFFFAOYSA-N 1 0 232.274 1.242 10 0 BDAERO CN(C(=O)CC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000050940771 172305798 /nfs/dbraw/zinc/30/57/98/172305798.db2.gz DTXGAUBGHFMQOJ-GFCCVEGCSA-N 1 0 247.342 1.967 10 0 BDAERO CN(C(=O)C[NH2+]C1CCCCC1)C1CC1 ZINC000049304268 172310391 /nfs/dbraw/zinc/31/03/91/172310391.db2.gz XDXDLJWMQAIUTE-UHFFFAOYSA-N 1 0 210.321 1.530 10 0 BDAERO CN(C(=O)COc1cccc(CC[NH3+])c1)C1CC1 ZINC000049306543 172310774 /nfs/dbraw/zinc/31/07/74/172310774.db2.gz GIAKTBUFKKKMBP-UHFFFAOYSA-N 1 0 248.326 1.187 10 0 BDAERO CN(C(=O)Cc1cccc(O)c1)[C@H]1CCC[NH2+]C1 ZINC000042417793 172315657 /nfs/dbraw/zinc/31/56/57/172315657.db2.gz AKAXVIXKZHRYHW-LBPRGKRZSA-N 1 0 248.326 1.145 10 0 BDAERO CN(C(=O)[C@@H]1CCCO1)c1ccc(C[NH3+])cc1 ZINC000020224953 172327453 /nfs/dbraw/zinc/32/74/53/172327453.db2.gz YURHNGBCKNRBIY-LBPRGKRZSA-N 1 0 234.299 1.287 10 0 BDAERO CN(C(=O)[C@@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000090289794 172327642 /nfs/dbraw/zinc/32/76/42/172327642.db2.gz 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1.666 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1nccc(Cl)n1 ZINC000095070805 172827696 /nfs/dbraw/zinc/82/76/96/172827696.db2.gz YANZZSAWRMEVPE-SECBINFHSA-N 1 0 240.738 1.708 10 0 BDAERO CN(c1ccc(F)cn1)C1CC[NH2+]CC1 ZINC000107208758 172947539 /nfs/dbraw/zinc/94/75/39/172947539.db2.gz SAKVWLQSFNVFMO-UHFFFAOYSA-N 1 0 209.268 1.409 10 0 BDAERO C[N@H+](CC[C@H]1CCCC[NH+]1C)C(C)(C)C(=O)[O-] ZINC000061172363 173006193 /nfs/dbraw/zinc/00/61/93/173006193.db2.gz PCDDVSLACQSNCN-LLVKDONJSA-N 1 0 242.363 1.656 10 0 BDAERO C[N@@H+]1CCCC[C@H]1c1ccc(C(N)=O)cc1 ZINC000075906923 173010484 /nfs/dbraw/zinc/01/04/84/173010484.db2.gz PMEPFOOQLPCDGP-LBPRGKRZSA-N 1 0 218.300 1.942 10 0 BDAERO C[N@@H+]1CCCN(c2cc(F)ccc2N)CC1 ZINC000052118990 173016558 /nfs/dbraw/zinc/01/65/58/173016558.db2.gz AXSRTXATWMEHFI-UHFFFAOYSA-N 1 0 223.295 1.550 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ccc3oc(=O)[nH]c3c2)C1 ZINC000076691657 173020866 /nfs/dbraw/zinc/02/08/66/173020866.db2.gz JQBMWJCUBVNOOD-SNVBAGLBSA-N 1 0 247.298 1.627 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2[nH]nc3ncccc32)C1 ZINC000072381229 173023564 /nfs/dbraw/zinc/02/35/64/173023564.db2.gz HGJJWECDJYGXJJ-SECBINFHSA-N 1 0 216.288 1.767 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CCn1cc2[nH]cccc-2c1=O ZINC000065369880 173027160 /nfs/dbraw/zinc/02/71/60/173027160.db2.gz SUAISPLKIHGCCI-LLVKDONJSA-N 1 0 245.326 1.522 10 0 BDAERO C[N@@H+]1CCC[C@H](CNc2cc(Cl)ncn2)C1 ZINC000044560222 173041864 /nfs/dbraw/zinc/04/18/64/173041864.db2.gz JYVPULCGSHEIFY-SECBINFHSA-N 1 0 240.738 1.884 10 0 BDAERO C[NH+]1CCN(C2=Nc3ccccc3C2)CC1 ZINC000100271697 173077461 /nfs/dbraw/zinc/07/74/61/173077461.db2.gz ZTAFFBKSCGGBNQ-UHFFFAOYSA-N 1 0 215.300 1.520 10 0 BDAERO C[NH+]1CCN(CCNc2ccccc2)CC1 ZINC000037483099 173081407 /nfs/dbraw/zinc/08/14/07/173081407.db2.gz ZNKGABUHILRMLB-UHFFFAOYSA-N 1 0 219.332 1.346 10 0 BDAERO CN1CCO[C@@H](C[NH2+]CC2CCCC2)C1 ZINC000069661153 173103271 /nfs/dbraw/zinc/10/32/71/173103271.db2.gz LKANZKVXLLFBJE-LBPRGKRZSA-N 1 0 212.337 1.097 10 0 BDAERO C[N@@H+]1CC[C@@H](CNCC(=O)Nc2ccccc2)C1 ZINC000037647478 173114568 /nfs/dbraw/zinc/11/45/68/173114568.db2.gz IBEFTGJNJHNWES-LBPRGKRZSA-N 1 0 247.342 1.166 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2nsnc2Cl)C1 ZINC000037485166 173117501 /nfs/dbraw/zinc/11/75/01/173117501.db2.gz ZDQPOCZVNLZTNX-LURJTMIESA-N 1 0 232.740 1.555 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc(N)c3cccnc23)C1 ZINC000042545026 173125049 /nfs/dbraw/zinc/12/50/49/173125049.db2.gz UNNGXAKLCQSPCN-SNVBAGLBSA-N 1 0 242.326 1.933 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc(Cl)nn2)C1 ZINC000042548180 173126729 /nfs/dbraw/zinc/12/67/29/173126729.db2.gz HWJBYWCREMRGQX-SSDOTTSWSA-N 1 0 212.684 1.246 10 0 BDAERO C[N@@H+]1CC[C@@H](Oc2cc(N)ccc2F)C1 ZINC000039109019 173127655 /nfs/dbraw/zinc/12/76/55/173127655.db2.gz JRCCCHHHYLJYKR-SECBINFHSA-N 1 0 210.252 1.491 10 0 BDAERO CN1CC[C@@](CN)([NH+]2CCCCCCC2)C1 ZINC000061990132 173137060 /nfs/dbraw/zinc/13/70/60/173137060.db2.gz RMWXCQAAECVQPE-ZDUSSCGKSA-N 1 0 225.380 1.286 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ncnc(Cl)c2N)C1 ZINC000062362999 173147886 /nfs/dbraw/zinc/14/78/86/173147886.db2.gz RUATXTAMVSGULQ-SSDOTTSWSA-N 1 0 241.726 1.076 10 0 BDAERO CN1CC[C@H]([NH2+]Cc2ccc(O)c(Cl)c2)C1 ZINC000043488528 173151453 /nfs/dbraw/zinc/15/14/53/173151453.db2.gz PWRGNPIUHIDFTG-JTQLQIEISA-N 1 0 240.734 1.839 10 0 BDAERO C[N@@H+]1CCc2oc(=O)c3ccccc3c2C1 ZINC000169320066 173173379 /nfs/dbraw/zinc/17/33/79/173173379.db2.gz NZHUHVNYEJDEGO-UHFFFAOYSA-N 1 0 215.252 1.781 10 0 BDAERO C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000098177686 173198537 /nfs/dbraw/zinc/19/85/37/173198537.db2.gz CJHLFQNJNLWXOM-UWVGGRQHSA-N 1 0 226.320 1.415 10 0 BDAERO C[N@@H+]1C[C@](C)(O)[C@@H](O)C[C@H]1c1ccccc1 ZINC000033825640 173199798 /nfs/dbraw/zinc/19/97/98/173199798.db2.gz CPDAVIZHKGVASM-AVGNSLFASA-N 1 0 221.300 1.175 10 0 BDAERO CN1[C@@H](c2ccccc2F)[C@@H](C[NH3+])C[C@H]1CO ZINC000008773210 173205352 /nfs/dbraw/zinc/20/53/52/173205352.db2.gz FNZLCSYYPUUXAU-GBIKHYSHSA-N 1 0 238.306 1.138 10 0 BDAERO CNC(=[NH2+])N1CC[C@H](c2ccccc2)C1 ZINC000052019154 173209230 /nfs/dbraw/zinc/20/92/30/173209230.db2.gz IAFIVDULZZEKFX-NSHDSACASA-N 1 0 203.289 1.630 10 0 BDAERO CNC(=O)CCOc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000051757116 173261437 /nfs/dbraw/zinc/26/14/37/173261437.db2.gz YPERSGHGIWEYBP-SNVBAGLBSA-N 1 0 236.315 1.482 10 0 BDAERO CNC(=O)CC[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000076619178 173263164 /nfs/dbraw/zinc/26/31/64/173263164.db2.gz LAZYEVYZLUVHRP-LLVKDONJSA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000104434949 173288127 /nfs/dbraw/zinc/28/81/27/173288127.db2.gz IKGQDTOKSLMCED-SECBINFHSA-N 1 0 241.335 1.000 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000042562033 173303285 /nfs/dbraw/zinc/30/32/85/173303285.db2.gz KIXGPAIDNIANBH-UWVGGRQHSA-N 1 0 248.326 1.407 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419243 173304460 /nfs/dbraw/zinc/30/44/60/173304460.db2.gz IOFNLEYMABOLAX-BDAKNGLRSA-N 1 0 222.288 1.220 10 0 BDAERO CNC(=O)[C@H](CCC[NH3+])c1ccccc1OC ZINC000076619108 173304596 /nfs/dbraw/zinc/30/45/96/173304596.db2.gz ZGUYVQBBAPFQQF-LLVKDONJSA-N 1 0 236.315 1.264 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1cccnc1 ZINC000061300482 173317564 /nfs/dbraw/zinc/31/75/64/173317564.db2.gz XCCBAGIAUHDSIR-UHFFFAOYSA-N 1 0 221.304 1.038 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1Cc2ccccc2C1 ZINC000061319206 173318237 /nfs/dbraw/zinc/31/82/37/173318237.db2.gz AXRVXKRSDSIAQB-UHFFFAOYSA-N 1 0 218.300 1.527 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000061300254 173318305 /nfs/dbraw/zinc/31/83/05/173318305.db2.gz YDMJTJHSIAPNMI-UWVGGRQHSA-N 1 0 212.337 1.774 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@]1(CO)CCC[C@H](C)C1 ZINC000061319318 173318326 /nfs/dbraw/zinc/31/83/26/173318326.db2.gz SVEDIWRZKUDTAC-GXFFZTMASA-N 1 0 242.363 1.042 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000061317789 173318536 /nfs/dbraw/zinc/31/85/36/173318536.db2.gz ATDRJMLENSZZAE-LLVKDONJSA-N 1 0 248.326 1.104 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](C)c1cccc(C)c1 ZINC000077299880 173331688 /nfs/dbraw/zinc/33/16/88/173331688.db2.gz ZJEJZFVCNNJTPL-JTQLQIEISA-N 1 0 206.289 1.392 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc2ncccc2c1 ZINC000054108640 173333354 /nfs/dbraw/zinc/33/33/54/173333354.db2.gz YXPQNFUOGWKAMT-UHFFFAOYSA-N 1 0 215.256 1.393 10 0 BDAERO C[NH2+]CC(=O)c1ccc(Br)cc1 ZINC000041249528 173336749 /nfs/dbraw/zinc/33/67/49/173336749.db2.gz ROCPAVBERYRYOQ-UHFFFAOYSA-N 1 0 228.089 1.851 10 0 BDAERO C[NH2+]CC(=O)c1ccc(F)c(Cl)c1 ZINC000082531573 173336947 /nfs/dbraw/zinc/33/69/47/173336947.db2.gz UBPJIHWMYASFOS-UHFFFAOYSA-N 1 0 201.628 1.881 10 0 BDAERO C[NH2+]CC1(CN2CCO[C@@H](C)C2)CCCC1 ZINC000051210494 173337544 /nfs/dbraw/zinc/33/75/44/173337544.db2.gz BRADTVXKQGCWOL-LBPRGKRZSA-N 1 0 226.364 1.487 10 0 BDAERO C[NH2+]CC1(CN2CCOC[C@@H]2C)CCCC1 ZINC000051216730 173337971 /nfs/dbraw/zinc/33/79/71/173337971.db2.gz SFXAVLDOYXWLPE-LBPRGKRZSA-N 1 0 226.364 1.487 10 0 BDAERO C[NH2+]CCC(=O)NCCc1ccc2c(c1)CCC2 ZINC000077403323 173340716 /nfs/dbraw/zinc/34/07/16/173340716.db2.gz XDXWAXCLHMTUPX-UHFFFAOYSA-N 1 0 246.354 1.444 10 0 BDAERO C[NH2+]CCC(=O)c1cc(OC)c(OC)cc1C ZINC000107291015 173342352 /nfs/dbraw/zinc/34/23/52/173342352.db2.gz IENXHRMQSRMPHH-UHFFFAOYSA-N 1 0 237.299 1.804 10 0 BDAERO C[NH2+]CCCC(=O)N(CCO)C1CCCCC1 ZINC000037809766 173343401 /nfs/dbraw/zinc/34/34/01/173343401.db2.gz UFSWUOPTRFHAFK-UHFFFAOYSA-N 1 0 242.363 1.140 10 0 BDAERO C[NH2+]CCCC(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000037798456 173343783 /nfs/dbraw/zinc/34/37/83/173343783.db2.gz BJKAMNAMEBJBKF-GFCCVEGCSA-N 1 0 249.358 1.699 10 0 BDAERO C[NH2+]CCCOCc1ccc2ncoc2c1 ZINC000077330733 173349680 /nfs/dbraw/zinc/34/96/80/173349680.db2.gz ZHXLMBQHYAXONU-UHFFFAOYSA-N 1 0 220.272 1.954 10 0 BDAERO C[NH2+]CCCOc1cc(Cl)ccn1 ZINC000091364428 173350008 /nfs/dbraw/zinc/35/00/08/173350008.db2.gz VGFONFCYLYOPAR-UHFFFAOYSA-N 1 0 200.669 1.723 10 0 BDAERO C[NH2+]CCN(C)c1ccccc1C(=O)OC ZINC000077334047 173353659 /nfs/dbraw/zinc/35/36/59/173353659.db2.gz BQLGKQHCYOMBGT-UHFFFAOYSA-N 1 0 222.288 1.129 10 0 BDAERO C[NH2+]CCNc1cc(Cl)ccc1OC ZINC000058850818 173356805 /nfs/dbraw/zinc/35/68/05/173356805.db2.gz SCHDZTUZBUNUBW-UHFFFAOYSA-N 1 0 214.696 1.980 10 0 BDAERO C[NH2+]CCOCc1ccc(OC)c(C)c1 ZINC000077303362 173357016 /nfs/dbraw/zinc/35/70/16/173357016.db2.gz ITFOIUFDKVZLET-UHFFFAOYSA-N 1 0 209.289 1.740 10 0 BDAERO C[NH2+]CCOCc1ccc(F)c(F)c1 ZINC000077296960 173357092 /nfs/dbraw/zinc/35/70/92/173357092.db2.gz NAZJIPOONHKECU-UHFFFAOYSA-N 1 0 201.216 1.701 10 0 BDAERO C[NH2+]CCOc1c(F)c(F)c(F)c(F)c1F ZINC000036302141 173357517 /nfs/dbraw/zinc/35/75/17/173357517.db2.gz KWOMMJFQANWOIO-UHFFFAOYSA-N 1 0 241.159 1.980 10 0 BDAERO C[NH2+]CCOc1cccc2c1OCCO2 ZINC000031622893 173357706 /nfs/dbraw/zinc/35/77/06/173357706.db2.gz USPFPXXTOOVKOL-UHFFFAOYSA-N 1 0 209.245 1.056 10 0 BDAERO C[NH2+]CC[C@@H]1CN(CCC(C)C)C(=O)O1 ZINC000077306600 173358347 /nfs/dbraw/zinc/35/83/47/173358347.db2.gz IQCKPRLPEBLVSJ-SNVBAGLBSA-N 1 0 214.309 1.463 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1ccccc1Cl ZINC000077391681 173358970 /nfs/dbraw/zinc/35/89/70/173358970.db2.gz JMWFMYVUYWNATR-JTQLQIEISA-N 1 0 242.750 1.747 10 0 BDAERO C[NH2+]CCc1nc2c(cccc2Cl)[nH]1 ZINC000043598815 173361184 /nfs/dbraw/zinc/36/11/84/173361184.db2.gz IKXRNHHUGHPJEV-UHFFFAOYSA-N 1 0 209.680 1.978 10 0 BDAERO C[NH2+]CCc1nc2c(ccc(F)c2F)[nH]1 ZINC000076040085 173361393 /nfs/dbraw/zinc/36/13/93/173361393.db2.gz SIUQYFNWMLAFOE-UHFFFAOYSA-N 1 0 211.215 1.603 10 0 BDAERO C[NH2+]CCc1nnc(C2(c3ccccc3)CC2)o1 ZINC000061618656 173361904 /nfs/dbraw/zinc/36/19/04/173361904.db2.gz RPHLXQDIFOQBFY-UHFFFAOYSA-N 1 0 243.310 1.911 10 0 BDAERO C[NH2+]CCc1nnc(CCOc2ccccc2)o1 ZINC000050619550 173362128 /nfs/dbraw/zinc/36/21/28/173362128.db2.gz NUGFHSCLAVEDKU-UHFFFAOYSA-N 1 0 247.298 1.453 10 0 BDAERO C[NH2+]C[C@@H](O)CN(C)c1ccc(C(C)C)cc1 ZINC000077373138 173364540 /nfs/dbraw/zinc/36/45/40/173364540.db2.gz PRPLSBJEHBWOFD-CQSZACIVSA-N 1 0 236.359 1.827 10 0 BDAERO C[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000034234842 173367148 /nfs/dbraw/zinc/36/71/48/173367148.db2.gz RSZLVCBGCBWCLX-LBPRGKRZSA-N 1 0 218.300 1.255 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000040596067 173368127 /nfs/dbraw/zinc/36/81/27/173368127.db2.gz UBUISHUHVXETMK-NSHDSACASA-N 1 0 210.321 1.411 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2cccc(C)c2)C(=O)O1 ZINC000077330569 173371508 /nfs/dbraw/zinc/37/15/08/173371508.db2.gz VLXJTJMOQAZTMQ-LLVKDONJSA-N 1 0 220.272 1.540 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2cc(C)cc(C)c2)C(=O)O1 ZINC000077369130 173371834 /nfs/dbraw/zinc/37/18/34/173371834.db2.gz AUXQLLFPIQUOLM-GFCCVEGCSA-N 1 0 234.299 1.848 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc(OC)c(OC)c1 ZINC000011803614 173373702 /nfs/dbraw/zinc/37/37/02/173373702.db2.gz MJEFTFOWJTVVKG-GFCCVEGCSA-N 1 0 225.288 1.131 10 0 BDAERO C[NH2+]C[C@H](C)N1C[C@@H](C)OC(C)(C)C1 ZINC000052543375 173375949 /nfs/dbraw/zinc/37/59/49/173375949.db2.gz LIXCPIZRMGLHBY-VHSXEESVSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ccc(Cl)cn1 ZINC000051867586 173376023 /nfs/dbraw/zinc/37/60/23/173376023.db2.gz GLHIUJSEZDPTEL-ZETCQYMHSA-N 1 0 200.669 1.722 10 0 BDAERO C[NH2+]C[C@H](C)OCc1ccc(OC)c(OC)c1 ZINC000051842465 173376040 /nfs/dbraw/zinc/37/60/40/173376040.db2.gz YDKNAMJHOFLCAB-JTQLQIEISA-N 1 0 239.315 1.828 10 0 BDAERO C[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000032014567 173376761 /nfs/dbraw/zinc/37/67/61/173376761.db2.gz VELODXNLSZKPBP-LBPRGKRZSA-N 1 0 223.316 1.571 10 0 BDAERO C[NH2+]C[C@H](O)COc1cccc(C)c1C ZINC000019864607 173376983 /nfs/dbraw/zinc/37/69/83/173376983.db2.gz AJXANSSMVBQVSK-NSHDSACASA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000032015861 173377111 /nfs/dbraw/zinc/37/71/11/173377111.db2.gz QGGFPJXPRUNQJX-VIFPVBQESA-N 1 0 230.105 1.702 10 0 BDAERO C[NH2+]C[C@H](O)c1ccccc1Br ZINC000055027400 173377510 /nfs/dbraw/zinc/37/75/10/173377510.db2.gz DBBJLKHXJXCZPP-VIFPVBQESA-N 1 0 230.105 1.702 10 0 BDAERO C[NH2+]C[C@H](O[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000104115842 173377972 /nfs/dbraw/zinc/37/79/72/173377972.db2.gz UPZRLGYQUFQEFQ-OLZOCXBDSA-N 1 0 239.290 1.892 10 0 BDAERO C[NH2+]C[C@H]1CC[C@H](COc2ccccc2F)O1 ZINC000052663887 173382970 /nfs/dbraw/zinc/38/29/70/173382970.db2.gz MMSBOQBAYXRZBM-GHMZBOCLSA-N 1 0 239.290 1.972 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc(F)c(F)c1 ZINC000036157353 173383119 /nfs/dbraw/zinc/38/31/19/173383119.db2.gz UEDUYAQAJZLTEK-JTQLQIEISA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+]C[C@](C)(O)Cc1ccc(OC)cc1 ZINC000019684512 173383281 /nfs/dbraw/zinc/38/32/81/173383281.db2.gz JYWQTZJUMWOGAX-GFCCVEGCSA-N 1 0 209.289 1.208 10 0 BDAERO C[NH2+]C[C@](C)(O)Cc1c(F)cccc1Cl ZINC000019684549 173383295 /nfs/dbraw/zinc/38/32/95/173383295.db2.gz UQKFSMWZNSBDTO-LLVKDONJSA-N 1 0 231.698 1.992 10 0 BDAERO C[NH2+]C[C@H]1NCCc2cc(Cl)ccc21 ZINC000083661328 173383587 /nfs/dbraw/zinc/38/35/87/173383587.db2.gz LVVQQXBVRNTQFT-LLVKDONJSA-N 1 0 210.708 1.746 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc(OC)cc1OC ZINC000036161677 173383599 /nfs/dbraw/zinc/38/35/99/173383599.db2.gz YDTWQZBQIPBATD-LBPRGKRZSA-N 1 0 225.288 1.131 10 0 BDAERO C[NH2+]Cc1c(C)nn(Cc2ccno2)c1C ZINC000036868495 173384974 /nfs/dbraw/zinc/38/49/74/173384974.db2.gz ASKRGQPPMIDCQY-UHFFFAOYSA-N 1 0 220.276 1.256 10 0 BDAERO C[NH2+]Cc1cc(-n2nc(C)cc2C)ccn1 ZINC000051490661 173385840 /nfs/dbraw/zinc/38/58/40/173385840.db2.gz ALKKYZUZPQEQJG-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1cc(F)ccc1-n1ccnc1 ZINC000037236844 173386666 /nfs/dbraw/zinc/38/66/66/173386666.db2.gz KJDJSUCLTIQVSS-UHFFFAOYSA-N 1 0 205.236 1.731 10 0 BDAERO C[NH2+]Cc1cc(CN2CCOCC2)c(C)o1 ZINC000052377969 173386716 /nfs/dbraw/zinc/38/67/16/173386716.db2.gz JRVDFQQUXSSNAY-UHFFFAOYSA-N 1 0 224.304 1.140 10 0 BDAERO C[NH2+]Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000034797771 173387049 /nfs/dbraw/zinc/38/70/49/173387049.db2.gz IFFAHPCAIAQCRV-UHFFFAOYSA-N 1 0 216.284 1.864 10 0 BDAERO C[NH2+]Cc1ccc(O[C@@H]2CCC[C@H]2O)cc1 ZINC000037702048 173388803 /nfs/dbraw/zinc/38/88/03/173388803.db2.gz CNWNNNJHLUHNEX-CHWSQXEVSA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1cccc(O[C@@H]2CCC[C@@H]2O)c1 ZINC000037703864 173389497 /nfs/dbraw/zinc/38/94/97/173389497.db2.gz CSWXTKLFLBUVAK-QWHCGFSZSA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1cccc(N2CCC[C@@H]2C)n1 ZINC000051398753 173389581 /nfs/dbraw/zinc/38/95/81/173389581.db2.gz OWBIEBZHLUUBTQ-JTQLQIEISA-N 1 0 205.305 1.790 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)c1cc(C)no1 ZINC000036280397 173390274 /nfs/dbraw/zinc/39/02/74/173390274.db2.gz ADLBXCVFNZHAGP-UHFFFAOYSA-N 1 0 245.282 1.955 10 0 BDAERO C[NH2+]Cc1ccccc1N(CC(N)=O)C(C)C ZINC000042438429 173390525 /nfs/dbraw/zinc/39/05/25/173390525.db2.gz LRVPNNBQUCUULC-UHFFFAOYSA-N 1 0 235.331 1.106 10 0 BDAERO C[NH2+]Cc1ccnc(-c2ccncc2)n1 ZINC000054791181 173391265 /nfs/dbraw/zinc/39/12/65/173391265.db2.gz OMGIZIYBHXVMAC-UHFFFAOYSA-N 1 0 200.245 1.258 10 0 BDAERO C[NH2+]Cc1cn2cc(F)cc(Cl)c2n1 ZINC000076793080 173391426 /nfs/dbraw/zinc/39/14/26/173391426.db2.gz OJKWVKSDZHBIGC-UHFFFAOYSA-N 1 0 213.643 1.846 10 0 BDAERO C[NH2+]Cc1ccnc(Cc2ccncc2)n1 ZINC000054791130 173391673 /nfs/dbraw/zinc/39/16/73/173391673.db2.gz FMWJBWBFKJNDHL-UHFFFAOYSA-N 1 0 214.272 1.182 10 0 BDAERO C[NH2+]Cc1cnc(Cc2csc(C)n2)nc1 ZINC000055296842 173392027 /nfs/dbraw/zinc/39/20/27/173392027.db2.gz GGVUVKNLQJCJKU-UHFFFAOYSA-N 1 0 234.328 1.552 10 0 BDAERO C[NH2+]Cc1cnc(N2CCO[C@@H](C)C2)s1 ZINC000054900773 173392222 /nfs/dbraw/zinc/39/22/22/173392222.db2.gz YDOYZFNJECDGGD-QMMMGPOBSA-N 1 0 227.333 1.088 10 0 BDAERO C[NH2+]Cc1cnc(N2C[C@H](C)OC[C@H]2C)s1 ZINC000054903450 173392310 /nfs/dbraw/zinc/39/23/10/173392310.db2.gz SQFJJNWDDAYQLY-BDAKNGLRSA-N 1 0 241.360 1.476 10 0 BDAERO C[NH2+]Cc1coc(Cn2cc(C)cn2)c1 ZINC000052576934 173393277 /nfs/dbraw/zinc/39/32/77/173393277.db2.gz WZOVDFXCADUKKH-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+]Cc1cnn(Cc2ccccc2OC)c1 ZINC000054719236 173393281 /nfs/dbraw/zinc/39/32/81/173393281.db2.gz WUXAQELCHHOAJJ-UHFFFAOYSA-N 1 0 231.299 1.659 10 0 BDAERO C[NH2+]Cc1csc(-c2cncnc2)c1 ZINC000052886558 173393770 /nfs/dbraw/zinc/39/37/70/173393770.db2.gz KIXMGXMCINYWNM-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1nc(Cn2nc(C)cc2C)cs1 ZINC000052575999 173394438 /nfs/dbraw/zinc/39/44/38/173394438.db2.gz HLCDAMPZHQXWRU-UHFFFAOYSA-N 1 0 236.344 1.724 10 0 BDAERO C[NH2+]Cc1nc(CN2CCC[C@@H]2C)cs1 ZINC000052375492 173394947 /nfs/dbraw/zinc/39/49/47/173394947.db2.gz FKILXTHWHQAVKW-VIFPVBQESA-N 1 0 225.361 1.847 10 0 BDAERO C[NH2+]Cc1nc2cc(OC)ccc2n1C ZINC000076043969 173396935 /nfs/dbraw/zinc/39/69/35/173396935.db2.gz RFUFZCQBDCVSLG-UHFFFAOYSA-N 1 0 205.261 1.301 10 0 BDAERO C[NH2+]Cc1nccn1Cc1ccc(C)cc1 ZINC000051004642 173397158 /nfs/dbraw/zinc/39/71/58/173397158.db2.gz LKMYVWOZJHOYRB-UHFFFAOYSA-N 1 0 215.300 1.959 10 0 BDAERO C[NH2+]Cc1nnc(-c2cccc(C)n2)o1 ZINC000050615320 173397410 /nfs/dbraw/zinc/39/74/10/173397410.db2.gz PXYLTZOJTRYECU-UHFFFAOYSA-N 1 0 204.233 1.159 10 0 BDAERO C[NH2+]Cc1nnc(-c2cccc(C)c2)o1 ZINC000049752966 173397579 /nfs/dbraw/zinc/39/75/79/173397579.db2.gz JWMTVSWFPKFYBV-UHFFFAOYSA-N 1 0 203.245 1.764 10 0 BDAERO C[NH2+]Cc1nnc(-c2cc(C)ccc2F)o1 ZINC000052999468 173397811 /nfs/dbraw/zinc/39/78/11/173397811.db2.gz FUWDONFPPBJXKR-UHFFFAOYSA-N 1 0 221.235 1.904 10 0 BDAERO C[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944748 173397831 /nfs/dbraw/zinc/39/78/31/173397831.db2.gz MXGWAUDCAUGMQZ-UHFFFAOYSA-N 1 0 202.261 1.202 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H](C)c1ccccc1F ZINC000054747189 173398524 /nfs/dbraw/zinc/39/85/24/173398524.db2.gz YPLZZQZKBNKSOZ-QMMMGPOBSA-N 1 0 235.266 1.141 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H]1CCCC[C@H]1C ZINC000054745923 173398739 /nfs/dbraw/zinc/39/87/39/173398739.db2.gz TVYFEVVHVMZISK-BDAKNGLRSA-N 1 0 209.297 1.144 10 0 BDAERO C[NH2+]Cc1nnnn1Cc1ccccc1Cl ZINC000054745360 173398786 /nfs/dbraw/zinc/39/87/86/173398786.db2.gz DLNLCXVTYBEHQW-UHFFFAOYSA-N 1 0 237.694 1.094 10 0 BDAERO C[NH2+]Cc1occc1Cn1cc(C)cn1 ZINC000052576876 173399973 /nfs/dbraw/zinc/39/99/73/173399973.db2.gz ZIGQQPKBPFRFEO-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+][C@@H](CO)COc1ccc2ccccc2c1 ZINC000071535276 173424404 /nfs/dbraw/zinc/42/44/04/173424404.db2.gz MBZHBTAPRRRLFT-ZDUSSCGKSA-N 1 0 231.295 1.799 10 0 BDAERO C[NH2+][C@@H]1CC[C@@H]2Nc3ccc(C(N)=O)cc3[C@@H]2C1 ZINC000033962296 173438930 /nfs/dbraw/zinc/43/89/30/173438930.db2.gz SXXGWGNELXGULR-CDMKHQONSA-N 1 0 245.326 1.435 10 0 in-man BDAERO C[NH2+][C@H](C)COc1cccc(F)c1F ZINC000062613525 173447223 /nfs/dbraw/zinc/44/72/23/173447223.db2.gz CAKDWRIRHFVLHI-SSDOTTSWSA-N 1 0 201.216 1.952 10 0 BDAERO C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1CCCO1 ZINC000035500727 173456569 /nfs/dbraw/zinc/45/65/69/173456569.db2.gz QIEXTBPANOXTNI-CMPLNLGQSA-N 1 0 248.282 1.561 10 0 BDAERO C[NH2+][C@H]1CCOC[C@H]1OCC1CCCCC1 ZINC000052151712 173467372 /nfs/dbraw/zinc/46/73/72/173467372.db2.gz HIYNQBWLDVWFEP-QWHCGFSZSA-N 1 0 227.348 1.960 10 0 BDAERO C[NH2+][C@H]1c2cc(C)c(C)cc2S(=O)(=O)[C@H]1C ZINC000043636411 173468768 /nfs/dbraw/zinc/46/87/68/173468768.db2.gz QSYQEAZBRHCILZ-JOYOIKCWSA-N 1 0 239.340 1.740 10 0 BDAERO CC(C)(C)c1cc(NC(=O)[C@@H]2CC[NH2+]C2)n[nH]1 ZINC000228344719 487627713 /nfs/dbraw/zinc/62/77/13/487627713.db2.gz WIEKJVKXJBCFSL-MRVPVSSYSA-N 1 0 236.319 1.255 10 0 BDAERO COC1CCN(C(=O)[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000037266872 174027291 /nfs/dbraw/zinc/02/72/91/174027291.db2.gz QBNRJRDZXRRXRZ-WDEREUQCSA-N 1 0 240.347 1.012 10 0 BDAERO COC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000037491165 174030116 /nfs/dbraw/zinc/03/01/16/174030116.db2.gz TXCHSXWIAQGGME-NEPJUHHUSA-N 1 0 213.321 1.401 10 0 BDAERO COCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107629183 174041913 /nfs/dbraw/zinc/04/19/13/174041913.db2.gz NGLNQJYSSRLKGP-GFCCVEGCSA-N 1 0 240.347 1.110 10 0 BDAERO COCC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000022219428 174059899 /nfs/dbraw/zinc/05/98/99/174059899.db2.gz PNIQGTQJVZHOSB-QMMMGPOBSA-N 1 0 208.261 1.291 10 0 BDAERO COCC1(C[NH2+][C@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000361389076 174104738 /nfs/dbraw/zinc/10/47/38/174104738.db2.gz IGKXKPLTNJHKCJ-QWRGUYRKSA-N 1 0 240.347 1.060 10 0 BDAERO COCCCC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352667467 174188867 /nfs/dbraw/zinc/18/88/67/174188867.db2.gz KOPABZJXEIJHMN-QWRGUYRKSA-N 1 0 201.310 1.258 10 0 BDAERO COCCC[N@H+](CCOC)[C@](C)(C[NH3+])C(C)C ZINC000042420826 174225288 /nfs/dbraw/zinc/22/52/88/174225288.db2.gz HLHQEXQCHCYXBF-CYBMUJFWSA-N 1 0 246.395 1.345 10 0 BDAERO COCCC[N@H+](CCOC)[C@@](C)(C[NH3+])C(C)C ZINC000042420827 174226344 /nfs/dbraw/zinc/22/63/44/174226344.db2.gz HLHQEXQCHCYXBF-ZDUSSCGKSA-N 1 0 246.395 1.345 10 0 BDAERO COCCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105884135 174228140 /nfs/dbraw/zinc/22/81/40/174228140.db2.gz QGNCCYCJIGCYBR-GFCCVEGCSA-N 1 0 238.335 1.027 10 0 BDAERO COCCC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037885747 174246880 /nfs/dbraw/zinc/24/68/80/174246880.db2.gz SDLNWQANMAEHFB-LBPRGKRZSA-N 1 0 245.269 1.624 10 0 BDAERO COCCCNc1cccc(F)c1C[NH3+] ZINC000071518535 174252529 /nfs/dbraw/zinc/25/25/29/174252529.db2.gz LALCKLHRSOKVMW-UHFFFAOYSA-N 1 0 212.268 1.733 10 0 BDAERO COCCCO[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000043031216 174256017 /nfs/dbraw/zinc/25/60/17/174256017.db2.gz ILBDOCRXQXPJRU-ZDUSSCGKSA-N 1 0 239.315 1.748 10 0 BDAERO COCCN(C(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)C1CC1 ZINC000037814685 174268265 /nfs/dbraw/zinc/26/82/65/174268265.db2.gz AFNJJPPCUBRVEK-JQWIXIFHSA-N 1 0 240.347 1.012 10 0 BDAERO COCCN(C(=O)[C@@H]1CCC[NH2+]1)[C@H](C)C1CC1 ZINC000037814686 174268560 /nfs/dbraw/zinc/26/85/60/174268560.db2.gz AFNJJPPCUBRVEK-PWSUYJOCSA-N 1 0 240.347 1.012 10 0 BDAERO COCCN(C)[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042909055 174282079 /nfs/dbraw/zinc/28/20/79/174282079.db2.gz XKPMODRQQCTNOT-GXTWGEPZSA-N 1 0 236.359 1.962 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1ccccc1Cl ZINC000041287749 174282732 /nfs/dbraw/zinc/28/27/32/174282732.db2.gz OQWHIFZLQAXQKF-LBPRGKRZSA-N 1 0 242.750 1.918 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000041280494 174283020 /nfs/dbraw/zinc/28/30/20/174283020.db2.gz XMEWYRLRJWZQLX-ZDUSSCGKSA-N 1 0 238.331 1.273 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1ccccc1Cl ZINC000041287752 174283141 /nfs/dbraw/zinc/28/31/41/174283141.db2.gz OQWHIFZLQAXQKF-GFCCVEGCSA-N 1 0 242.750 1.918 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1ccccc1C ZINC000041241197 174283809 /nfs/dbraw/zinc/28/38/09/174283809.db2.gz RLLDFGPMAPMVCY-CYBMUJFWSA-N 1 0 222.332 1.573 10 0 BDAERO COCCN(C)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054898343 174284006 /nfs/dbraw/zinc/28/40/06/174284006.db2.gz DTIZQYTYLZEGBK-MRVPVSSYSA-N 1 0 241.360 1.562 10 0 BDAERO COCCN(CC(C)C)C(=O)[C@H]([NH3+])CC(C)C ZINC000037809103 174287446 /nfs/dbraw/zinc/28/74/46/174287446.db2.gz DGOYLOBLKMXHJT-GFCCVEGCSA-N 1 0 244.379 1.491 10 0 BDAERO COCCN(CC[NH2+]C1CCCC1)CCOC ZINC000042442988 174291770 /nfs/dbraw/zinc/29/17/70/174291770.db2.gz UFZZXDCOKCSQJJ-UHFFFAOYSA-N 1 0 244.379 1.113 10 0 BDAERO COCCN(CC[NH3+])Cc1ccccc1OC ZINC000032090299 174292106 /nfs/dbraw/zinc/29/21/06/174292106.db2.gz TXSWDAGIDZYNRR-UHFFFAOYSA-N 1 0 238.331 1.102 10 0 BDAERO COCCN(c1cc[nH+]cc1N)[C@H](C)COC ZINC000042602595 174302103 /nfs/dbraw/zinc/30/21/03/174302103.db2.gz OPTUOHXKDRDMPC-SNVBAGLBSA-N 1 0 239.319 1.152 10 0 BDAERO COCCN(c1cc(C)ccc1C(N)=[NH2+])C1CC1 ZINC000051579454 174302456 /nfs/dbraw/zinc/30/24/56/174302456.db2.gz YOJGJJBKYDLXIG-UHFFFAOYSA-N 1 0 247.342 1.894 10 0 BDAERO COCCNC(=O)[C@@H](C)[NH2+]CC1CCCCC1 ZINC000037249449 174325373 /nfs/dbraw/zinc/32/53/73/174325373.db2.gz AVZMMYSWQAUAPZ-LLVKDONJSA-N 1 0 242.363 1.307 10 0 BDAERO COCC[NH2+]CCN(C)Cc1cccc(F)c1 ZINC000042427966 174332516 /nfs/dbraw/zinc/33/25/16/174332516.db2.gz NCMOUPHOGJEIET-UHFFFAOYSA-N 1 0 240.322 1.494 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1cc(C)ccc1OC ZINC000037873056 174333208 /nfs/dbraw/zinc/33/32/08/174333208.db2.gz HFZRCXZJZRBBCD-GFCCVEGCSA-N 1 0 239.315 1.273 10 0 BDAERO COCC[NH2+]CCOc1ccc(F)cc1F ZINC000041256909 174333750 /nfs/dbraw/zinc/33/37/50/174333750.db2.gz FPPHNYAUINPABJ-UHFFFAOYSA-N 1 0 231.242 1.580 10 0 BDAERO COCC[NH2+]C[C@@H](O)CO[C@H]1CCCC[C@@H]1C ZINC000037849306 174333927 /nfs/dbraw/zinc/33/39/27/174333927.db2.gz DGQXSWOOUKILCE-XQQFMLRXSA-N 1 0 245.363 1.179 10 0 BDAERO COCC[NH2+]C[C@H](O)c1ccc(OC)c(F)c1 ZINC000049831302 174334291 /nfs/dbraw/zinc/33/42/91/174334291.db2.gz FFTLLBFXVPFTML-NSHDSACASA-N 1 0 243.278 1.104 10 0 BDAERO COCC[NH2+]C[C@H](O)c1cc(C)ccc1OC ZINC000037873057 174334678 /nfs/dbraw/zinc/33/46/78/174334678.db2.gz HFZRCXZJZRBBCD-LBPRGKRZSA-N 1 0 239.315 1.273 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1ccc(OC)c(F)c1 ZINC000049831303 174334696 /nfs/dbraw/zinc/33/46/96/174334696.db2.gz FFTLLBFXVPFTML-LLVKDONJSA-N 1 0 243.278 1.104 10 0 BDAERO COCC[NH2+]Cc1ccnc(CCC(C)C)n1 ZINC000054792484 174335419 /nfs/dbraw/zinc/33/54/19/174335419.db2.gz RIQNDZZMBPOAJJ-UHFFFAOYSA-N 1 0 237.347 1.801 10 0 BDAERO COCC[NH2+]Cc1ccc(COC)s1 ZINC000045206018 174336453 /nfs/dbraw/zinc/33/64/53/174336453.db2.gz UQJYGNGPYUUWIC-UHFFFAOYSA-N 1 0 215.318 1.631 10 0 BDAERO COCC[NH2+][C@@H](C)c1ccc(O)c(F)c1 ZINC000020551084 174338233 /nfs/dbraw/zinc/33/82/33/174338233.db2.gz BUKSNHKEKZDJGG-QMMMGPOBSA-N 1 0 213.252 1.828 10 0 BDAERO COCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128050961 174340087 /nfs/dbraw/zinc/34/00/87/174340087.db2.gz UJORCMRKYFIWNB-RYUDHWBXSA-N 1 0 223.320 1.603 10 0 BDAERO COCCO[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000019394402 174365604 /nfs/dbraw/zinc/36/56/04/174365604.db2.gz OSSPFRYPYFSKNE-GHMZBOCLSA-N 1 0 201.310 1.700 10 0 BDAERO COC[C@@H](C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055125276 174451703 /nfs/dbraw/zinc/45/17/03/174451703.db2.gz AIPVBLGJOCOOMW-VOMCLLRMSA-N 1 0 242.363 1.435 10 0 BDAERO COCc1nc(C2([NH3+])CCCCC2)no1 ZINC000041053013 174640981 /nfs/dbraw/zinc/64/09/81/174640981.db2.gz PDKKYHCVJUDGFE-UHFFFAOYSA-N 1 0 211.265 1.334 10 0 BDAERO CO[C@@H](C)CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186547589 174682610 /nfs/dbraw/zinc/68/26/10/174682610.db2.gz SAJIPIVMEIXNJH-WDEREUQCSA-N 1 0 240.347 1.154 10 0 BDAERO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccncn1 ZINC000054789893 174753668 /nfs/dbraw/zinc/75/36/68/174753668.db2.gz SWDJLAZTIGAVMM-GHMZBOCLSA-N 1 0 207.277 1.134 10 0 BDAERO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000333737363 174772544 /nfs/dbraw/zinc/77/25/44/174772544.db2.gz VDVSSSGPXWZBLP-VPOLOUISSA-N 1 0 242.319 1.084 10 0 BDAERO CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1(C)C ZINC000304244963 174779540 /nfs/dbraw/zinc/77/95/40/174779540.db2.gz OXCFYWSNJRXYNP-HBNTYKKESA-N 1 0 229.364 1.797 10 0 BDAERO CO[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000050375264 174883562 /nfs/dbraw/zinc/88/35/62/174883562.db2.gz JOYIOIDPJBEXJT-KKOKHZNYSA-N 1 0 240.347 1.058 10 0 BDAERO COc1cc(C2=[NH+]CCN2)cc(OC)c1OC ZINC000021299227 174976032 /nfs/dbraw/zinc/97/60/32/174976032.db2.gz KIIGFSYTKBZATN-UHFFFAOYSA-N 1 0 236.271 1.062 10 0 BDAERO COc1cc(N[C@@H](C)CCCC[NH3+])ncn1 ZINC000309443394 175003290 /nfs/dbraw/zinc/00/32/90/175003290.db2.gz MHWAYRWRDYYXPW-VIFPVBQESA-N 1 0 224.308 1.415 10 0 BDAERO COc1cc(OC)c(OC)c2c1C[C@@H](C)[C@@H]2[NH3+] ZINC000041278595 175007157 /nfs/dbraw/zinc/00/71/57/175007157.db2.gz OSVHCRLKOGQMNV-KRTXAFLBSA-N 1 0 237.299 1.904 10 0 BDAERO COc1cc(OC)cc(OCCOCC[NH3+])c1 ZINC000041284872 175010695 /nfs/dbraw/zinc/01/06/95/175010695.db2.gz XTOULZXTHKFJBO-UHFFFAOYSA-N 1 0 241.287 1.058 10 0 BDAERO COc1cc([C@H]2CC[NH2+]C[C@@H]2F)ccn1 ZINC000098091655 175016853 /nfs/dbraw/zinc/01/68/53/175016853.db2.gz OMRPPBFHBGUSSB-ZJUUUORDSA-N 1 0 210.252 1.505 10 0 BDAERO COc1cc2c(c(OC)c1OC)C[NH2+][C@H](C)C2 ZINC000011597097 175020540 /nfs/dbraw/zinc/02/05/40/175020540.db2.gz FEYLXIOBBDHVBL-MRVPVSSYSA-N 1 0 237.299 1.747 10 0 BDAERO COc1cc2nc([C@@H](C)C[NH3+])[nH]c2cc1OC ZINC000054334369 175028108 /nfs/dbraw/zinc/02/81/08/175028108.db2.gz RVSFGFSSYMPYPV-ZETCQYMHSA-N 1 0 235.287 1.642 10 0 BDAERO COc1cc2nc([C@H](C)C[NH3+])[nH]c2cc1OC ZINC000054334370 175028394 /nfs/dbraw/zinc/02/83/94/175028394.db2.gz RVSFGFSSYMPYPV-SSDOTTSWSA-N 1 0 235.287 1.642 10 0 BDAERO COc1ccc(-c2cc(C[NH3+])on2)cc1F ZINC000075515758 175031367 /nfs/dbraw/zinc/03/13/67/175031367.db2.gz XILZPKSKFZKCSU-UHFFFAOYSA-N 1 0 222.219 1.948 10 0 BDAERO COc1ccc(-c2cc(C[NH3+])[nH]n2)c(OC)c1 ZINC000066112816 175031803 /nfs/dbraw/zinc/03/18/03/175031803.db2.gz FFRPIMTUVYSTBH-UHFFFAOYSA-N 1 0 233.271 1.553 10 0 BDAERO COc1ccc(-c2cc3n(n2)CC[NH2+]C3)cc1 ZINC000084507807 175032328 /nfs/dbraw/zinc/03/23/28/175032328.db2.gz YFLJZHOKAJFPMI-UHFFFAOYSA-N 1 0 229.283 1.662 10 0 BDAERO COc1ccc(-c2nc(C[NH3+])co2)cc1OC ZINC000019723008 175040020 /nfs/dbraw/zinc/04/00/20/175040020.db2.gz KOSKQOODHCDEMJ-UHFFFAOYSA-N 1 0 234.255 1.818 10 0 BDAERO COc1ccc(-c2nnc(CC[NH3+])o2)c(F)c1 ZINC000083364467 175041243 /nfs/dbraw/zinc/04/12/43/175041243.db2.gz BOLHUVYIPUKIHZ-UHFFFAOYSA-N 1 0 237.234 1.386 10 0 BDAERO COc1ccc(C(=O)CN2CCC[NH2+]CC2)cc1 ZINC000041301203 175053418 /nfs/dbraw/zinc/05/34/18/175053418.db2.gz NIJFLLGQNQCDLU-UHFFFAOYSA-N 1 0 248.326 1.173 10 0 BDAERO COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038048832 175062190 /nfs/dbraw/zinc/06/21/90/175062190.db2.gz QZRFZQRYELXVSW-QWHCGFSZSA-N 1 0 248.326 1.695 10 0 BDAERO COc1ccc(C(C)C)cc1[C@H]([NH3+])CO ZINC000041218647 175069131 /nfs/dbraw/zinc/06/91/31/175069131.db2.gz XAULHKDXIBWVEQ-LLVKDONJSA-N 1 0 209.289 1.811 10 0 BDAERO COc1ccc(C(CC[NH3+])(OC)OC)cc1F ZINC000057534138 175069923 /nfs/dbraw/zinc/06/99/23/175069923.db2.gz ISJHXMLYUSBUBX-UHFFFAOYSA-N 1 0 243.278 1.629 10 0 BDAERO COc1ccc(C)c2ccn(CC[NH3+])c21 ZINC000059731402 175071377 /nfs/dbraw/zinc/07/13/77/175071377.db2.gz RSEBIRWWCYXEQY-UHFFFAOYSA-N 1 0 204.273 1.917 10 0 BDAERO COc1ccc(C)cc1C(=O)C(C)(C)[NH3+] ZINC000058327429 175073124 /nfs/dbraw/zinc/07/31/24/175073124.db2.gz MOWLBCYGMGXJHQ-UHFFFAOYSA-N 1 0 207.273 1.924 10 0 BDAERO COc1ccc(C)cc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000104306647 175073285 /nfs/dbraw/zinc/07/32/85/175073285.db2.gz XVJOBLYLIUSYED-LLVKDONJSA-N 1 0 248.326 1.567 10 0 BDAERO COc1ccc(C)cc1C[C@H]1COCC[C@@H]1[NH3+] ZINC000076682531 175076953 /nfs/dbraw/zinc/07/69/53/175076953.db2.gz JEKPVMOCVQMRAL-STQMWFEESA-N 1 0 235.327 1.910 10 0 BDAERO COc1ccc(C)cc1C[C@H](O)[C@@H]1CCC[NH2+]C1 ZINC000041303866 175076988 /nfs/dbraw/zinc/07/69/88/175076988.db2.gz KJRQXICHFCRWSW-OCCSQVGLSA-N 1 0 249.354 1.907 10 0 BDAERO COc1ccc(C)cc1[C@@H]([NH3+])CN(C)C ZINC000023071699 175080500 /nfs/dbraw/zinc/08/05/00/175080500.db2.gz JUAPPAAXGCSEEM-NSHDSACASA-N 1 0 208.305 1.565 10 0 BDAERO COc1ccc(CCC[NH2+]CCN(C)C)cc1 ZINC000041271733 175089430 /nfs/dbraw/zinc/08/94/30/175089430.db2.gz RRNDAMWKPLEVMS-UHFFFAOYSA-N 1 0 236.359 1.779 10 0 BDAERO COc1ccc(CC[NH2+]CC(=O)NC2CC2)cc1 ZINC000006646504 175091589 /nfs/dbraw/zinc/09/15/89/175091589.db2.gz UNHDCJXGKCOLOD-UHFFFAOYSA-N 1 0 248.326 1.106 10 0 BDAERO COc1ccc(CN(C)CC[NH2+]C2CC2)cc1 ZINC000042307961 175095512 /nfs/dbraw/zinc/09/55/12/175095512.db2.gz POHICJWIQTVXRS-UHFFFAOYSA-N 1 0 234.343 1.879 10 0 BDAERO COc1ccc(COC(=O)CC[NH3+])c(C)c1C ZINC000077374207 175113370 /nfs/dbraw/zinc/11/33/70/175113370.db2.gz JYULXAYCDRYRII-UHFFFAOYSA-N 1 0 237.299 1.704 10 0 BDAERO COc1ccc(Cl)cc1C1(O)CC[NH2+]CC1 ZINC000055193326 175120215 /nfs/dbraw/zinc/12/02/15/175120215.db2.gz CQKVQBGRLTVODS-UHFFFAOYSA-N 1 0 241.718 1.920 10 0 BDAERO COc1ccc(Cl)cc1CC[NH2+]CCO ZINC000057518402 175120692 /nfs/dbraw/zinc/12/06/92/175120692.db2.gz UVXDUIBMVGGYQA-UHFFFAOYSA-N 1 0 229.707 1.473 10 0 BDAERO COc1ccc(F)cc1[C@H](O)[C@@H]1CCC[NH2+]C1 ZINC000036164237 175134511 /nfs/dbraw/zinc/13/45/11/175134511.db2.gz XBPYLMJYMGDSMM-NOZJJQNGSA-N 1 0 239.290 1.867 10 0 BDAERO COc1ccc(F)cc1[C@H]([NH3+])[C@H]1CCOC1 ZINC000048622937 175134655 /nfs/dbraw/zinc/13/46/55/175134655.db2.gz LIABPGZZEOEISV-QPUJVOFHSA-N 1 0 225.263 1.871 10 0 BDAERO COc1ccc(N)cc1NC(=O)[C@H](C)[NH+](C)C ZINC000022166769 175138447 /nfs/dbraw/zinc/13/84/47/175138447.db2.gz QHVDMOAZWXSVFS-QMMMGPOBSA-N 1 0 237.303 1.166 10 0 BDAERO COc1ccc(N2CC[C@@H]([NH3+])C2=O)cc1Cl ZINC000049648486 175139291 /nfs/dbraw/zinc/13/92/91/175139291.db2.gz NALOCVXPDRHKLX-SECBINFHSA-N 1 0 240.690 1.413 10 0 BDAERO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1C ZINC000049531969 175145151 /nfs/dbraw/zinc/14/51/51/175145151.db2.gz RGMXLVNFLDRLBH-LLVKDONJSA-N 1 0 248.326 1.942 10 0 BDAERO COc1ccc(NCc2c[nH]cn2)cc1O ZINC000054764896 175151336 /nfs/dbraw/zinc/15/13/36/175151336.db2.gz GTXKFTOCLUQDIT-UHFFFAOYSA-N 1 0 219.244 1.736 10 0 BDAERO COc1ccc(OC)c(C(=O)[C@H]([NH3+])C(C)C)c1 ZINC000032090221 175164636 /nfs/dbraw/zinc/16/46/36/175164636.db2.gz VGQBZOZNAZDWOA-GFCCVEGCSA-N 1 0 237.299 1.870 10 0 BDAERO COc1ccc(OC)c(N(C)C[C@H](C)C[NH3+])c1 ZINC000049829381 175166271 /nfs/dbraw/zinc/16/62/71/175166271.db2.gz RXNKCVRRPSYBQZ-SNVBAGLBSA-N 1 0 238.331 1.735 10 0 BDAERO COc1ccc(OC)c(N2CC[C@@H](C[NH3+])C2)c1 ZINC000011891695 175166364 /nfs/dbraw/zinc/16/63/64/175166364.db2.gz SDIVYXVMCKRKGW-JTQLQIEISA-N 1 0 236.315 1.489 10 0 BDAERO COc1ccc(OC)c(N2CC[C@@H]([NH3+])C2)c1 ZINC000037240743 175166448 /nfs/dbraw/zinc/16/64/48/175166448.db2.gz INGMAPNGCVTJEG-SECBINFHSA-N 1 0 222.288 1.241 10 0 BDAERO COc1ccc(OC)c([C@@H](C[NH3+])NC2CC2)c1 ZINC000050271235 175166928 /nfs/dbraw/zinc/16/69/28/175166928.db2.gz VCAIIDDMACLMLJ-GFCCVEGCSA-N 1 0 236.315 1.456 10 0 BDAERO COc1ccc(OC)c([C@@]2(C)C[C@@H]2[NH3+])c1 ZINC000052126466 175168078 /nfs/dbraw/zinc/16/80/78/175168078.db2.gz SNDBIENVFBWYMZ-NWDGAFQWSA-N 1 0 207.273 1.693 10 0 BDAERO COc1ccc(OC)c([C@@H]2OC[C@@H](C[NH3+])O2)c1 ZINC000049829555 175168201 /nfs/dbraw/zinc/16/82/01/175168201.db2.gz AAOXQQYYZFSPAK-BXKDBHETSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc(OC)c2c1CC[NH2+][C@H]2C ZINC000019626238 175170840 /nfs/dbraw/zinc/17/08/40/175170840.db2.gz JVPBCCHBTQZAKW-QMMMGPOBSA-N 1 0 207.273 1.911 10 0 BDAERO COc1ccc([C@@H]([NH3+])CN(C)C)cc1F ZINC000020260380 175179978 /nfs/dbraw/zinc/17/99/78/175179978.db2.gz JHRFABVNJJFVSZ-JTQLQIEISA-N 1 0 212.268 1.396 10 0 BDAERO COc1ccc([C@@H](O)CC[NH3+])c(OC)c1OC ZINC000087347458 175180580 /nfs/dbraw/zinc/18/05/80/175180580.db2.gz FFTADSCFDSVWNQ-VIFPVBQESA-N 1 0 241.287 1.095 10 0 BDAERO COc1ccc([C@@H](O)CC[NH2+]C(C)C)cc1N ZINC000098126472 175180757 /nfs/dbraw/zinc/18/07/57/175180757.db2.gz HSMIZEQLNCENSC-LBPRGKRZSA-N 1 0 238.331 1.699 10 0 BDAERO COc1ccc([C@@H](O)CC[NH2+]C2CC2)cc1N ZINC000098126137 175180977 /nfs/dbraw/zinc/18/09/77/175180977.db2.gz AANHBNCAXFOQAS-LBPRGKRZSA-N 1 0 236.315 1.453 10 0 BDAERO COc1ccc([C@@H]2OCC[NH2+][C@@H]2C)cc1 ZINC000037405082 175185933 /nfs/dbraw/zinc/18/59/33/175185933.db2.gz BHRUEGUXZCYUBO-BXKDBHETSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@H]2CCOC2)cc1F ZINC000048623348 175192747 /nfs/dbraw/zinc/19/27/47/175192747.db2.gz DVZSHYPIRRWGNZ-CABZTGNLSA-N 1 0 225.263 1.871 10 0 BDAERO COc1ccc([C@H]([C@@H](C)[NH3+])n2ccnc2)cc1 ZINC000042962233 175193900 /nfs/dbraw/zinc/19/39/00/175193900.db2.gz NXUADRIVWJVLBY-MFKMUULPSA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccc([C@H]2[NH2+]CC[C@H]2CO)cc1 ZINC000051971731 175198846 /nfs/dbraw/zinc/19/88/46/175198846.db2.gz MMRCYRSNAOYMIJ-CMPLNLGQSA-N 1 0 207.273 1.338 10 0 BDAERO COc1ccc2c(c1)CCC[C@@]2([NH3+])CO ZINC000038124424 175207983 /nfs/dbraw/zinc/20/79/83/175207983.db2.gz YCHWCZXSLTZNEY-GFCCVEGCSA-N 1 0 207.273 1.178 10 0 BDAERO COc1ccc2c(c1C[C@H](C)[NH3+])CCO2 ZINC000013860961 175221304 /nfs/dbraw/zinc/22/13/04/175221304.db2.gz XDJBFAKEKIPGDT-QMMMGPOBSA-N 1 0 207.273 1.520 10 0 BDAERO COc1ccc2ccccc2c1[C@@H]([NH3+])CO ZINC000038124729 175226592 /nfs/dbraw/zinc/22/65/92/175226592.db2.gz NERSOVDFHFUMCR-NSHDSACASA-N 1 0 217.268 1.841 10 0 BDAERO COc1cccc(-c2ncc(C[NH3+])cn2)c1 ZINC000054855271 175237755 /nfs/dbraw/zinc/23/77/55/175237755.db2.gz NOBZGBZHZMURGH-UHFFFAOYSA-N 1 0 215.256 1.611 10 0 BDAERO COc1cccc(-n2ncc(C[NH3+])c2C)c1 ZINC000071520081 175239986 /nfs/dbraw/zinc/23/99/86/175239986.db2.gz HPBAUGBJFAEBDL-UHFFFAOYSA-N 1 0 217.272 1.648 10 0 BDAERO COc1cccc(C(=O)CN2CCC[NH2+]CC2)c1 ZINC000041301234 175242529 /nfs/dbraw/zinc/24/25/29/175242529.db2.gz VZOOWPPKUOWWAM-UHFFFAOYSA-N 1 0 248.326 1.173 10 0 BDAERO COc1cccc(CN(C)C(C)(C)C[NH3+])c1 ZINC000020226823 175253451 /nfs/dbraw/zinc/25/34/51/175253451.db2.gz BXAOBAXHMBWDBA-UHFFFAOYSA-N 1 0 222.332 1.864 10 0 BDAERO COc1cccc(CCc2nnc(CC[NH3+])o2)c1 ZINC000011585831 175253658 /nfs/dbraw/zinc/25/36/58/175253658.db2.gz AWLBNKSAVTUWDL-UHFFFAOYSA-N 1 0 247.298 1.365 10 0 BDAERO COc1cccc(CN2CCC[NH2+]CCC2)c1 ZINC000049666971 175259115 /nfs/dbraw/zinc/25/91/15/175259115.db2.gz DOBNPQJFOFWQFL-UHFFFAOYSA-N 1 0 234.343 1.881 10 0 BDAERO COc1cccc(C[C@@H]2COCC[C@H]2[NH3+])c1 ZINC000082364304 175271470 /nfs/dbraw/zinc/27/14/70/175271470.db2.gz FMKAPMRWZGQWES-DGCLKSJQSA-N 1 0 221.300 1.602 10 0 BDAERO COc1cccc(Cc2nc([C@@H](C)C[NH3+])no2)c1 ZINC000054158839 175272863 /nfs/dbraw/zinc/27/28/63/175272863.db2.gz CABDYKCYZLAAGN-VIFPVBQESA-N 1 0 247.298 1.731 10 0 BDAERO COc1cccc(N(C)C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000049972380 175274846 /nfs/dbraw/zinc/27/48/46/175274846.db2.gz WLHCZEDZPFXCGQ-LBPRGKRZSA-N 1 0 234.299 1.410 10 0 BDAERO COc1cccc(N(C)C[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000104216469 175275021 /nfs/dbraw/zinc/27/50/21/175275021.db2.gz XKBQEONELQFXLJ-NWDGAFQWSA-N 1 0 234.343 1.987 10 0 BDAERO COc1cccc(N(C)[C@H]2CCC[NH2+]C2)c1 ZINC000049969848 175275599 /nfs/dbraw/zinc/27/55/99/175275599.db2.gz QSXGGIIHPKNODI-LBPRGKRZSA-N 1 0 220.316 1.883 10 0 BDAERO COc1cccc(OC)c1OC[C@H](C)C[NH3+] ZINC000036678295 175282924 /nfs/dbraw/zinc/28/29/24/175282924.db2.gz GVCVQMUWEAMIJQ-SECBINFHSA-N 1 0 225.288 1.677 10 0 BDAERO COc1cccc(O[C@@H]2COCC[C@@H]2[NH3+])c1 ZINC000036305705 175284336 /nfs/dbraw/zinc/28/43/36/175284336.db2.gz OOPUWYJAWZZNST-NWDGAFQWSA-N 1 0 223.272 1.190 10 0 BDAERO COc1cccc([C@@]2(C)OC[C@H](C[NH3+])O2)c1 ZINC000049819285 175291432 /nfs/dbraw/zinc/29/14/32/175291432.db2.gz ADNYRRMBVCZISS-RYUDHWBXSA-N 1 0 223.272 1.242 10 0 BDAERO COc1cccc([C@@]2(O)CCC[NH2+]C2)c1 ZINC000071510475 175291857 /nfs/dbraw/zinc/29/18/57/175291857.db2.gz ZHVVKZZITMJIDF-GFCCVEGCSA-N 1 0 207.273 1.266 10 0 BDAERO COc1cccc([C@H](O)CC[NH2+]C2CC2)c1 ZINC000049818378 175294971 /nfs/dbraw/zinc/29/49/71/175294971.db2.gz OBVCAKCCDNJERL-CYBMUJFWSA-N 1 0 221.300 1.871 10 0 BDAERO COc1cccc2[nH]cc([C@H]3C[C@H]3[NH3+])c21 ZINC000013782225 175298324 /nfs/dbraw/zinc/29/83/24/175298324.db2.gz SVXXIYYEEVIKRL-VXNVDRBHSA-N 1 0 202.257 1.991 10 0 BDAERO COc1cccc2c1C1(CC[NH2+]CC1)C(=O)N2 ZINC000299889008 175301268 /nfs/dbraw/zinc/30/12/68/175301268.db2.gz BZEQFYTXNQLTRE-UHFFFAOYSA-N 1 0 232.283 1.269 10 0 BDAERO COc1cccc2c1[C@H](O)[C@@H]([NH3+])CCC2 ZINC000019795514 175305651 /nfs/dbraw/zinc/30/56/51/175305651.db2.gz CWKINACSCKGYJT-JOYOIKCWSA-N 1 0 207.273 1.392 10 0 BDAERO COc1ccccc1C(=O)[C@@H]1CC[NH2+]C1 ZINC000082379663 175318775 /nfs/dbraw/zinc/31/87/75/175318775.db2.gz QZWDXBBSFQEVKA-SECBINFHSA-N 1 0 205.257 1.487 10 0 BDAERO COc1ccccc1C12CC(C1)C[NH2+]C2 ZINC000097757675 175320394 /nfs/dbraw/zinc/32/03/94/175320394.db2.gz GJLZSDHBLVMIQS-UHFFFAOYSA-N 1 0 203.285 1.946 10 0 BDAERO COc1ccccc1CC[NH2+][C@H](C)CO ZINC000098123916 175323580 /nfs/dbraw/zinc/32/35/80/175323580.db2.gz HSTRVJKTZVJYAK-SNVBAGLBSA-N 1 0 209.289 1.208 10 0 BDAERO COc1ccccc1CCn1cnnc1CC[NH3+] ZINC000098128264 175324472 /nfs/dbraw/zinc/32/44/72/175324472.db2.gz WXZJKABEENQVLK-UHFFFAOYSA-N 1 0 246.314 1.031 10 0 BDAERO COc1ccccc1C[C@@H]([NH3+])[C@H]1CCOC1 ZINC000048627572 175332369 /nfs/dbraw/zinc/33/23/69/175332369.db2.gz YXDNEVXTSXVVRP-NWDGAFQWSA-N 1 0 221.300 1.602 10 0 BDAERO COc1ccccc1Cc1nnc(CC[NH3+])o1 ZINC000019733043 175335226 /nfs/dbraw/zinc/33/52/26/175335226.db2.gz LJJVYHONJWLBRC-UHFFFAOYSA-N 1 0 233.271 1.170 10 0 BDAERO COc1ccccc1N(CCC[NH3+])C(=O)C1CC1 ZINC000020233550 175335952 /nfs/dbraw/zinc/33/59/52/175335952.db2.gz WDLMVZLQLQYJQC-UHFFFAOYSA-N 1 0 248.326 1.787 10 0 BDAERO COc1ccccc1N1CC[NH2+]CCC1=O ZINC000071522453 175335966 /nfs/dbraw/zinc/33/59/66/175335966.db2.gz OXEALFFEJUINRE-UHFFFAOYSA-N 1 0 220.272 1.022 10 0 BDAERO COc1ccccc1OCC1=[NH+]CCN1 ZINC000020399591 175340493 /nfs/dbraw/zinc/34/04/93/175340493.db2.gz ZSXHDMFGXHANHX-UHFFFAOYSA-N 1 0 206.245 1.076 10 0 BDAERO COc1ccccc1OCCC(=O)[C@H]1CCC[NH2+]1 ZINC000041303408 175341077 /nfs/dbraw/zinc/34/10/77/175341077.db2.gz GRBQCRICCOSAIT-LLVKDONJSA-N 1 0 249.310 1.785 10 0 BDAERO COc1ccccc1OC[C@H]1[NH2+]CCS1 ZINC000027562022 175341826 /nfs/dbraw/zinc/34/18/26/175341826.db2.gz RVDKSQDMEIWCNB-NSHDSACASA-N 1 0 225.313 1.737 10 0 BDAERO COc1ccccc1OC[C@@H]1[NH2+]CCS1 ZINC000027562020 175341932 /nfs/dbraw/zinc/34/19/32/175341932.db2.gz RVDKSQDMEIWCNB-LLVKDONJSA-N 1 0 225.313 1.737 10 0 BDAERO COc1ccccc1[C@@H](C[NH3+])n1cc(C)cn1 ZINC000043098762 175345989 /nfs/dbraw/zinc/34/59/89/175345989.db2.gz BLTWLWHQMSBUJV-GFCCVEGCSA-N 1 0 231.299 1.748 10 0 BDAERO COc1ccccc1[C@@H](O)[C@@H]1CCC[NH2+]1 ZINC000032011722 175347009 /nfs/dbraw/zinc/34/70/09/175347009.db2.gz JIPVTLLSVWMZRP-CMPLNLGQSA-N 1 0 207.273 1.481 10 0 BDAERO COc1ccccc1[C@H]([NH3+])Cc1ncc[nH]1 ZINC000034977383 175353526 /nfs/dbraw/zinc/35/35/26/175353526.db2.gz XLCWSOQQFVAPFV-SNVBAGLBSA-N 1 0 217.272 1.661 10 0 BDAERO COc1ccccc1[C@H]1C[NH2+][C@H](C)CO1 ZINC000032011695 175355498 /nfs/dbraw/zinc/35/54/98/175355498.db2.gz FBMBRIKDHJYOTL-BXKDBHETSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccnc(N[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000038051072 175368132 /nfs/dbraw/zinc/36/81/32/175368132.db2.gz UQNTWGKGUWXRLX-BDAKNGLRSA-N 1 0 222.292 1.167 10 0 BDAERO CS[C@@H](C)C[NH2+]Cc1cnn(C)c1C ZINC000119297047 175545095 /nfs/dbraw/zinc/54/50/95/175545095.db2.gz ZUFMWRPFHXZHIA-QMMMGPOBSA-N 1 0 213.350 1.570 10 0 BDAERO CSc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000026472020 175591514 /nfs/dbraw/zinc/59/15/14/175591514.db2.gz OFLATBPNEMFHAT-UHFFFAOYSA-N 1 0 238.360 1.802 10 0 BDAERO C[C@@H](C[NH3+])C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000054341698 175704806 /nfs/dbraw/zinc/70/48/06/175704806.db2.gz LOMNEUKEPWHBJI-ONGXEEELSA-N 1 0 221.304 1.273 10 0 BDAERO C[C@@H](CN1Cc2cccc(N)c2C1)[NH+](C)C ZINC000045109247 175720388 /nfs/dbraw/zinc/72/03/88/175720388.db2.gz SNNLARVPZJIKNS-JTQLQIEISA-N 1 0 219.332 1.535 10 0 BDAERO C[C@@H]([NH3+])CCNc1ncc(Br)cn1 ZINC000082662415 175805984 /nfs/dbraw/zinc/80/59/84/175805984.db2.gz PJAGLSALKJJIIX-ZCFIWIBFSA-N 1 0 245.124 1.388 10 0 BDAERO C[C@@H]([NH3+])Cn1cc(Cl)c(=O)c(Cl)c1 ZINC000083592125 175808582 /nfs/dbraw/zinc/80/85/82/175808582.db2.gz JJLVUOIRNYEBGX-RXMQYKEDSA-N 1 0 221.087 1.502 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1cc(Cl)ccc1F ZINC000082592861 175809232 /nfs/dbraw/zinc/80/92/32/175809232.db2.gz HKGKLFSTOSSYBQ-MLUIRONXSA-N 1 0 203.644 1.860 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1ccc(F)c(Br)c1 ZINC000020216792 175812656 /nfs/dbraw/zinc/81/26/56/175812656.db2.gz AFUQLJVARLGUTF-ANLVUFKYSA-N 1 0 248.095 1.969 10 0 BDAERO C[C@@H](NC(=O)C1(C[NH3+])CC1)c1ccccc1 ZINC000077326762 175825396 /nfs/dbraw/zinc/82/53/96/175825396.db2.gz VEURAZVINGRIMY-SNVBAGLBSA-N 1 0 218.300 1.603 10 0 BDAERO C[C@@H](NC(=O)C1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000035690783 175827444 /nfs/dbraw/zinc/82/74/44/175827444.db2.gz PJMYNTIQVOXPMZ-PWSUYJOCSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(C)(C)C ZINC000129440586 175927423 /nfs/dbraw/zinc/92/74/23/175927423.db2.gz XFUZDAFGWPKVRO-ZJUUUORDSA-N 1 0 222.336 1.617 10 0 BDAERO C[C@@H](O)c1ccn([N@H+](C)c2ccncc2)c1 ZINC000013746014 176000028 /nfs/dbraw/zinc/00/00/28/176000028.db2.gz CAOFPMCWDPSSCL-SNVBAGLBSA-N 1 0 217.272 1.836 10 0 BDAERO C[C@@H](O)c1ccccc1NC(=O)[C@](C)([NH3+])C1CC1 ZINC000049547457 176000165 /nfs/dbraw/zinc/00/01/65/176000165.db2.gz IZXFXDHKTPHCQK-YMTOWFKASA-N 1 0 248.326 1.806 10 0 BDAERO C[C@@H](Oc1ccc(C2=CC[NH2+]CC2)cc1)C(N)=O ZINC000034939872 176004238 /nfs/dbraw/zinc/00/42/38/176004238.db2.gz AWIGUNOWGIWAOG-SNVBAGLBSA-N 1 0 246.310 1.316 10 0 BDAERO C[C@@H]([C@@H]1CCC[NH2+]C1)N1CCCCC1=O ZINC000035689524 176011756 /nfs/dbraw/zinc/01/17/56/176011756.db2.gz WXVCBZAJKIOQCT-WDEREUQCSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H](c1ccc(Cl)cc1)N1CC[C@H]([NH3+])C1=O ZINC000049659927 176014282 /nfs/dbraw/zinc/01/42/82/176014282.db2.gz LHQHPHXOYAPOGY-KWQFWETISA-N 1 0 238.718 1.961 10 0 BDAERO C[C@@H](c1ccc(C[NH3+])cc1)N1CCNC1=O ZINC000037748195 176014644 /nfs/dbraw/zinc/01/46/44/176014644.db2.gz IJQRSLSPIBJBBT-VIFPVBQESA-N 1 0 219.288 1.232 10 0 BDAERO C[C@@H](c1ccc[nH]1)N(C)[C@H]1CCC[NH2+]C1 ZINC000095068170 176016947 /nfs/dbraw/zinc/01/69/47/176016947.db2.gz VAHGJVVJTPYPEC-QWRGUYRKSA-N 1 0 207.321 1.760 10 0 BDAERO C[C@@H](c1cccc(F)c1)N1CC[C@H]([NH3+])C1=O ZINC000049660046 176017502 /nfs/dbraw/zinc/01/75/02/176017502.db2.gz QXDPOEZXOJTTFU-KWQFWETISA-N 1 0 222.263 1.446 10 0 BDAERO C[C@@H](c1ccccn1)N(C)[C@@H]1CC[NH2+]C1 ZINC000070892641 176026607 /nfs/dbraw/zinc/02/66/07/176026607.db2.gz HJUXXOVXAXQMTE-WDEREUQCSA-N 1 0 205.305 1.436 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccnc1 ZINC000252099961 176072934 /nfs/dbraw/zinc/07/29/34/176072934.db2.gz GBLGCQBLXGKQBW-DGCLKSJQSA-N 1 0 220.316 1.989 10 0 BDAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000020075251 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C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000054306057 487713740 /nfs/dbraw/zinc/71/37/40/487713740.db2.gz DVMFJTBPZNBUTD-NEPJUHHUSA-N 1 0 247.342 1.649 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCc2ccccc21 ZINC000136302448 487723723 /nfs/dbraw/zinc/72/37/23/487723723.db2.gz YOBRKCHAGWGZEU-GFCCVEGCSA-N 1 0 232.327 1.949 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccn1 ZINC000136312454 487725518 /nfs/dbraw/zinc/72/55/18/487725518.db2.gz QPFWSSOZOWZUTN-MNOVXSKESA-N 1 0 235.331 1.632 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000226379722 487725246 /nfs/dbraw/zinc/72/52/46/487725246.db2.gz HBQXYSBNTBPAHL-UWVGGRQHSA-N 1 0 210.321 1.563 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@H]1CCCOC1 ZINC000136464024 487737053 /nfs/dbraw/zinc/73/70/53/487737053.db2.gz YSZHJYLAMFNARI-VXGBXAGGSA-N 1 0 242.363 1.245 10 0 BDAERO [NH3+]CCC1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250939247 487743964 /nfs/dbraw/zinc/74/39/64/487743964.db2.gz YYRRRHKNZOLVJA-CLLJXQQHSA-N 1 0 236.359 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236.319 1.049 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)C[C@H]([NH3+])C(C)C ZINC000300362898 487779264 /nfs/dbraw/zinc/77/92/64/487779264.db2.gz CXLQKNYXTXYBDI-OUAUKWLOSA-N 1 0 212.337 1.665 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000251683637 487789343 /nfs/dbraw/zinc/78/93/43/487789343.db2.gz VZJRUUNGHOWGCP-NWBUJAPZSA-N 1 0 236.359 1.618 10 0 BDAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1(C[NH3+])CCC1 ZINC000385519039 487789140 /nfs/dbraw/zinc/78/91/40/487789140.db2.gz SKLGKASFBRVQMA-JGPRNRPPSA-N 1 0 222.332 1.372 10 0 BDAERO CC[C@H]1CN(c2nnc(C)s2)CC[C@H]1[NH3+] ZINC000251904773 487806930 /nfs/dbraw/zinc/80/69/30/487806930.db2.gz XDWUMKVQZHSVQE-DTWKUNHWSA-N 1 0 226.349 1.410 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000089430653 487814363 /nfs/dbraw/zinc/81/43/63/487814363.db2.gz HHSYETYHIIMPKB-KOLCDFICSA-N 1 0 244.298 1.974 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000089430660 487814475 /nfs/dbraw/zinc/81/44/75/487814475.db2.gz 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/nfs/dbraw/zinc/89/91/38/487899138.db2.gz KMQWNEPDPUEDRA-KOLCDFICSA-N 1 0 238.306 1.613 10 0 BDAERO CC(C)OCCNC(=O)C1CCC([NH3+])CC1 ZINC000165024430 487914100 /nfs/dbraw/zinc/91/41/00/487914100.db2.gz AHPGRRHVEMZGDX-UHFFFAOYSA-N 1 0 228.336 1.045 10 0 BDAERO CCc1nsc(N2CC[C@H](C[NH2+]C)C2)n1 ZINC000083670615 487926272 /nfs/dbraw/zinc/92/62/72/487926272.db2.gz HXFMKYOJPPJLHN-MRVPVSSYSA-N 1 0 226.349 1.146 10 0 BDAERO COc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])ncn1 ZINC000227469956 487930423 /nfs/dbraw/zinc/93/04/23/487930423.db2.gz AYSRUEQRPYIBTL-UWVGGRQHSA-N 1 0 236.319 1.049 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc([C@H]2CCCO2)no1 ZINC000083715323 487932255 /nfs/dbraw/zinc/93/22/55/487932255.db2.gz AAWQZMYXYFKVEP-DTWKUNHWSA-N 1 0 225.292 1.447 10 0 BDAERO CCOCCN(CC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000111124978 487936506 /nfs/dbraw/zinc/93/65/06/487936506.db2.gz DFUYZRDDKRVMQO-GFCCVEGCSA-N 1 0 242.363 1.261 10 0 BDAERO C[C@@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)CCO1 ZINC000235353064 487944614 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C[NH2+][C@H](C)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000307845894 487997922 /nfs/dbraw/zinc/99/79/22/487997922.db2.gz QSENQKYLCMHKJA-MNOVXSKESA-N 1 0 212.337 1.489 10 0 BDAERO CCOc1cc(N2CCC[C@@H]2C[NH3+])nc(C)n1 ZINC000090788117 488000371 /nfs/dbraw/zinc/00/03/71/488000371.db2.gz QOSYJPXZFBYOLY-SNVBAGLBSA-N 1 0 236.319 1.111 10 0 BDAERO CCOc1cc(NC[C@H]([NH3+])C(C)C)nc(C)n1 ZINC000090787924 488000380 /nfs/dbraw/zinc/00/03/80/488000380.db2.gz NAQUUQFOZPILAJ-JTQLQIEISA-N 1 0 238.335 1.579 10 0 BDAERO CC(C)[C@](C)([NH2+]C[C@H]1CCC[C@@H](O)C1)C(N)=O ZINC000310103790 488004194 /nfs/dbraw/zinc/00/41/94/488004194.db2.gz CHNDZQJEGNBTHE-LOWVWBTDSA-N 1 0 242.363 1.027 10 0 BDAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000659248803 488004419 /nfs/dbraw/zinc/00/44/19/488004419.db2.gz MZMNHDSNULAESB-NEPJUHHUSA-N 1 0 236.359 1.907 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H](CC)C1CC1 ZINC000323778611 488007283 /nfs/dbraw/zinc/00/72/83/488007283.db2.gz ZOKZDYXHLZGOMX-CHWSQXEVSA-N 1 0 229.364 1.942 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000235700527 488008861 /nfs/dbraw/zinc/00/88/61/488008861.db2.gz KKVXEGFUGMYSCN-WDEREUQCSA-N 1 0 225.361 1.675 10 0 BDAERO CC[C@@H]1CN(c2nnc(C)s2)CC[C@@H]1[NH3+] ZINC000147539923 488034526 /nfs/dbraw/zinc/03/45/26/488034526.db2.gz XDWUMKVQZHSVQE-BDAKNGLRSA-N 1 0 226.349 1.410 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CCO1 ZINC000084224426 488038511 /nfs/dbraw/zinc/03/85/11/488038511.db2.gz KKEMHTMLXQYSJN-LOWDOPEQSA-N 1 0 227.348 1.695 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(C2CC2)no1 ZINC000084305473 488042399 /nfs/dbraw/zinc/04/23/99/488042399.db2.gz LUKVCWPUSDLNGB-BDAKNGLRSA-N 1 0 207.277 1.789 10 0 BDAERO C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084308515 488042422 /nfs/dbraw/zinc/04/24/22/488042422.db2.gz QWZCBYIYXVZZBF-UTUOFQBUSA-N 1 0 224.348 1.762 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccncc1 ZINC000084308928 488043313 /nfs/dbraw/zinc/04/33/13/488043313.db2.gz VPADEMYPAYCKAV-KOLCDFICSA-N 1 0 219.288 1.395 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCCCC1 ZINC000084308920 488042927 /nfs/dbraw/zinc/04/29/27/488042927.db2.gz MEABJKAMOXDKOP-QWRGUYRKSA-N 1 0 210.321 1.374 10 0 BDAERO Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c(O)c1 ZINC000091496497 488054489 /nfs/dbraw/zinc/05/44/89/488054489.db2.gz IQPFKHBGVZUUDZ-PWSUYJOCSA-N 1 0 248.326 1.571 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccccc1 ZINC000091496802 488054799 /nfs/dbraw/zinc/05/47/99/488054799.db2.gz YNIKHXNCOHSUSU-PWSUYJOCSA-N 1 0 233.315 1.949 10 0 BDAERO COC1(CO)CC[NH+]([C@H](C)C(C)C)CC1 ZINC000401761697 488064885 /nfs/dbraw/zinc/06/48/85/488064885.db2.gz INTAZESMCCYPGG-LLVKDONJSA-N 1 0 215.337 1.504 10 0 BDAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310158953 488066423 /nfs/dbraw/zinc/06/64/23/488066423.db2.gz KOXPSCVQZBDOFS-GFQSEFKGSA-N 1 0 234.343 1.245 10 0 BDAERO Cc1cc(NC(=O)C[C@H]([NH3+])C(C)C)n[nH]1 ZINC000129067201 488072163 /nfs/dbraw/zinc/07/21/63/488072163.db2.gz MRYWKMXVMYOXHR-QMMMGPOBSA-N 1 0 210.281 1.030 10 0 BDAERO CCCn1nccc1C[NH2+][C@@H]1CCN(CC)C1 ZINC000389257501 488085383 /nfs/dbraw/zinc/08/53/83/488085383.db2.gz OBDADHFDTZTCRC-GFCCVEGCSA-N 1 0 236.363 1.477 10 0 BDAERO COc1cccnc1N[C@H]1CCC[NH2+][C@@H]1C ZINC000129540432 488091900 /nfs/dbraw/zinc/09/19/00/488091900.db2.gz SUZWYBZFMPOSPI-ZJUUUORDSA-N 1 0 221.304 1.643 10 0 BDAERO COc1ccsc1CNC[C@@H]1CC[NH2+]C1 ZINC000398333545 488096050 /nfs/dbraw/zinc/09/60/50/488096050.db2.gz ANXVCNJWHINSKI-SECBINFHSA-N 1 0 226.345 1.456 10 0 BDAERO CCCn1nccc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000159991552 488097262 /nfs/dbraw/zinc/09/72/62/488097262.db2.gz XTTXBQHNSSKGRF-AAEUAGOBSA-N 1 0 237.347 1.950 10 0 BDAERO CCN(C[C@H]1CCCO1)C(=O)C[C@H]([NH3+])C(C)C ZINC000136439838 488102673 /nfs/dbraw/zinc/10/26/73/488102673.db2.gz LBKIVAZTORZHBA-NEPJUHHUSA-N 1 0 242.363 1.387 10 0 BDAERO Cn1cc([C@@H]2OCCC[C@H]2C[NH2+]C2CC2)cn1 ZINC000092887268 488104048 /nfs/dbraw/zinc/10/40/48/488104048.db2.gz HBOMBKOOVLSGGV-GXFFZTMASA-N 1 0 235.331 1.640 10 0 BDAERO OC1(C[NH+]2CC3(C2)CC(F)(F)C3)CCC1 ZINC000677739288 488116741 /nfs/dbraw/zinc/11/67/41/488116741.db2.gz TVADISDMLBNVQK-UHFFFAOYSA-N 1 0 217.259 1.633 10 0 BDAERO C[C@]1(O)CCC[N@H+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000310233964 488120646 /nfs/dbraw/zinc/12/06/46/488120646.db2.gz KILFJTLYNKVAFY-IHRRRGAJSA-N 1 0 241.375 1.774 10 0 BDAERO Cc1nc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cs1 ZINC000085011959 488121746 /nfs/dbraw/zinc/12/17/46/488121746.db2.gz BTQDEDVFJOGGLK-DTWKUNHWSA-N 1 0 239.344 1.195 10 0 BDAERO COc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)c(F)c1 ZINC000234936933 488132346 /nfs/dbraw/zinc/13/23/46/488132346.db2.gz LRGKWONTHPYNJP-ZANVPECISA-N 1 0 238.306 1.613 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)o1 ZINC000231744346 487473801 /nfs/dbraw/zinc/47/38/01/487473801.db2.gz VXJGNKZKWVPQFF-VHSXEESVSA-N 1 0 239.319 1.534 10 0 BDAERO CO[C@@H](C)c1nsc(NCC[NH2+]C2CC2)n1 ZINC000304251495 487484723 /nfs/dbraw/zinc/48/47/23/487484723.db2.gz HFAPOPSIUFJBLR-ZETCQYMHSA-N 1 0 242.348 1.409 10 0 BDAERO CCCCNC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000061884418 487487171 /nfs/dbraw/zinc/48/71/71/487487171.db2.gz HMAPNCXANAWRKY-UWVGGRQHSA-N 1 0 213.325 1.213 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1cccs1 ZINC000086271020 487494787 /nfs/dbraw/zinc/49/47/87/487494787.db2.gz VTLKBWAOKDSOGY-UTLUCORTSA-N 1 0 238.356 1.923 10 0 BDAERO CC(C)(C)[C@H](CO)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000393979832 487496229 /nfs/dbraw/zinc/49/62/29/487496229.db2.gz LYBARJDKMIAFIY-UTUOFQBUSA-N 1 0 229.364 1.534 10 0 BDAERO OCC[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCC1 ZINC000381178528 487501099 /nfs/dbraw/zinc/50/10/99/487501099.db2.gz VRWSMAWOUWGPIP-AAEUAGOBSA-N 1 0 227.348 1.384 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000659379442 487519411 /nfs/dbraw/zinc/51/94/11/487519411.db2.gz HREAJVLJTWDAKU-LNLATYFQSA-N 1 0 210.321 1.419 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000052762028 487567952 /nfs/dbraw/zinc/56/79/52/487567952.db2.gz HUFMTWADHHFOLE-NSHDSACASA-N 1 0 226.345 1.880 10 0 BDAERO CC(C)(C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158755789 487974413 /nfs/dbraw/zinc/97/44/13/487974413.db2.gz DLSCISCFDMOVMV-GHMZBOCLSA-N 1 0 226.364 1.914 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000226968659 488136442 /nfs/dbraw/zinc/13/64/42/488136442.db2.gz LKLBJYPPPCWRDN-GRYCIOLGSA-N 1 0 222.332 1.586 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667872257 488143365 /nfs/dbraw/zinc/14/33/65/488143365.db2.gz XAPZJSCIGWEPGA-SYQHCUMBSA-N 1 0 239.359 1.695 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667872256 488143482 /nfs/dbraw/zinc/14/34/82/488143482.db2.gz XAPZJSCIGWEPGA-RQJABVFESA-N 1 0 239.359 1.695 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667885973 488147917 /nfs/dbraw/zinc/14/79/17/488147917.db2.gz FCAMGDAJIHQCJQ-XQHKEYJVSA-N 1 0 225.332 1.305 10 0 BDAERO C[C@H]1CCCN(c2ccnc(N(C)C)n2)[C@@H]1C[NH3+] ZINC000085432235 488171428 /nfs/dbraw/zinc/17/14/28/488171428.db2.gz YMNFTKFQBOYRKO-WDEREUQCSA-N 1 0 249.362 1.106 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000085574305 488185047 /nfs/dbraw/zinc/18/50/47/488185047.db2.gz VRVFKADTIHAPJE-NSHDSACASA-N 1 0 205.301 1.687 10 0 BDAERO C[NH2+][C@@H](C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000054073879 488205541 /nfs/dbraw/zinc/20/55/41/488205541.db2.gz WKSCDXMQFNKOBO-DDNJXNFVSA-N 1 0 236.359 1.535 10 0 BDAERO [NH3+]C1(CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000398114785 488211176 /nfs/dbraw/zinc/21/11/76/488211176.db2.gz OMGFCEAHOINPGR-NSHDSACASA-N 1 0 246.310 1.508 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNC(=O)C2)o1 ZINC000398363608 488217162 /nfs/dbraw/zinc/21/71/62/488217162.db2.gz KJVNWJFNEHIDDB-VHSXEESVSA-N 1 0 222.288 1.375 10 0 BDAERO c1ccc2c(C[NH2+]C[C@H]3CC[NH2+]C3)ccnc2c1 ZINC000398409993 488219263 /nfs/dbraw/zinc/21/92/63/488219263.db2.gz SFGFUXOTPCMPCH-LBPRGKRZSA-N 1 0 241.338 1.934 10 0 BDAERO C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668196191 488220041 /nfs/dbraw/zinc/22/00/41/488220041.db2.gz FXPFXVZWVAXQGE-ZRJCITRHSA-N 1 0 239.359 1.695 10 0 BDAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC=CCC1 ZINC000040740671 488221494 /nfs/dbraw/zinc/22/14/94/488221494.db2.gz BWRWAPPANRAMPV-ACJTYDJDSA-N 1 0 234.343 1.742 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)C[C@H]2C1 ZINC000398883583 488225303 /nfs/dbraw/zinc/22/53/03/488225303.db2.gz HNFURRAILOYRBQ-DHGKCCLASA-N 1 0 239.359 1.383 10 0 BDAERO Cn1cccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000050595843 490162457 /nfs/dbraw/zinc/16/24/57/490162457.db2.gz MSLOJSBPWTYNJR-JQWIXIFHSA-N 1 0 208.305 1.418 10 0 BDAERO Cn1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000122827789 490178453 /nfs/dbraw/zinc/17/84/53/490178453.db2.gz SMBGOBIPTWZVST-CYBMUJFWSA-N 1 0 245.330 1.281 10 0 BDAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1nccn1C ZINC000070007918 490194319 /nfs/dbraw/zinc/19/43/19/490194319.db2.gz ZYLZEFCHBJHIJQ-QWRGUYRKSA-N 1 0 223.320 1.640 10 0 BDAERO CC[C@@]1(C[NH3+])COc2c(F)ccc(F)c2O1 ZINC000536953964 490235620 /nfs/dbraw/zinc/23/56/20/490235620.db2.gz JRRHDHASNALZCO-LLVKDONJSA-N 1 0 229.226 1.844 10 0 BDAERO COCC[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000081711746 490242188 /nfs/dbraw/zinc/24/21/88/490242188.db2.gz WRBBWBMMDWKDCB-KPPDAEKUSA-N 1 0 228.336 1.045 10 0 BDAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+]1C ZINC000251718881 490261638 /nfs/dbraw/zinc/26/16/38/490261638.db2.gz BXYKKQWJZVKQRP-LBELIVKGSA-N 1 0 236.359 1.631 10 0 BDAERO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000301041581 490573905 /nfs/dbraw/zinc/57/39/05/490573905.db2.gz ZKYLMHLGRYRZNK-AXFHLTTASA-N 1 0 215.337 1.693 10 0 BDAERO Cc1cnccc1CC[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399328207 491061500 /nfs/dbraw/zinc/06/15/00/491061500.db2.gz MXNKSEPUYLFHID-GXTWGEPZSA-N 1 0 234.343 1.778 10 0 BDAERO COCC(C)(C)C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000308952896 491141140 /nfs/dbraw/zinc/14/11/40/491141140.db2.gz PRFKTLDAXHSEFF-MNOVXSKESA-N 1 0 215.337 1.552 10 0 BDAERO Cc1nc(C(=O)C(F)F)sc1C[NH3+] ZINC000757127162 582502491 /nfs/dbraw/zinc/50/24/91/582502491.db2.gz XYPOAGCGCYVCOB-UHFFFAOYSA-N 1 0 206.217 1.358 10 0 BDAERO C1CC1[NH+]1CCC2(CC1)NCC1(CC1)CO2 ZINC000757146004 582529236 /nfs/dbraw/zinc/52/92/36/582529236.db2.gz QXGVDSWIMIUKLA-UHFFFAOYSA-N 1 0 222.332 1.341 10 0 BDAERO CC(C)[C@H]1O[C@@]2(CC[NH2+]C2)NCC1(C)C ZINC000757146778 582530322 /nfs/dbraw/zinc/53/03/22/582530322.db2.gz LIPUPDLOBNFQBB-ZYHUDNBSSA-N 1 0 212.337 1.347 10 0 BDAERO CCC[C@H]1CCO[C@@]2(CN3CCC2CC3)[NH2+]1 ZINC000757147141 582530975 /nfs/dbraw/zinc/53/09/75/582530975.db2.gz RYAXMVYXOYROCM-QWHCGFSZSA-N 1 0 224.348 1.587 10 0 BDAERO CC(C)[C@H]1N[C@]2(CCC[NH2+]C2)OCC1(C)C ZINC000757153422 582537490 /nfs/dbraw/zinc/53/74/90/582537490.db2.gz VQRREAZVNBFIDO-DGCLKSJQSA-N 1 0 226.364 1.737 10 0 BDAERO C[NH+]1CCC2(CC1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757153871 582538559 /nfs/dbraw/zinc/53/85/59/582538559.db2.gz ZQWCOQHWLZBJAC-NSHDSACASA-N 1 0 210.321 1.054 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H](C)C(=O)OC)c1nccs1 ZINC000070732947 535804306 /nfs/dbraw/zinc/80/43/06/535804306.db2.gz ATQIGGZBCQHHPO-RKDXNWHRSA-N 1 0 242.344 1.993 10 0 BDAERO CC[C@@H]1COCCN1c1ccc(C[NH3+])cn1 ZINC000036322214 535837147 /nfs/dbraw/zinc/83/71/47/535837147.db2.gz GFWGVWRZBNMWKF-LLVKDONJSA-N 1 0 221.304 1.156 10 0 BDAERO Cc1ccc(OCC[NH2+]C(C)(C)CO)cc1 ZINC000115465552 582750506 /nfs/dbraw/zinc/75/05/06/582750506.db2.gz DUEWUUNVXXTTKS-UHFFFAOYSA-N 1 0 223.316 1.734 10 0 BDAERO CCOc1ccc([C@@](C)(O)C[NH2+]C)cc1 ZINC000032012238 517732983 /nfs/dbraw/zinc/73/29/83/517732983.db2.gz SBXWPGNXEPUUCN-LBPRGKRZSA-N 1 0 209.289 1.512 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000259210026 534455314 /nfs/dbraw/zinc/45/53/14/534455314.db2.gz QJCCDQNBKRCUGG-VIFPVBQESA-N 1 0 212.337 1.618 10 0 BDAERO CCOc1c(C[NH2+]CCCO)cccc1OC ZINC000040537874 520594415 /nfs/dbraw/zinc/59/44/15/520594415.db2.gz FJGXOMFYPHEOFR-UHFFFAOYSA-N 1 0 239.315 1.566 10 0 BDAERO CCCc1noc(NCCC[NH+](C)C)n1 ZINC000057353939 521592511 /nfs/dbraw/zinc/59/25/11/521592511.db2.gz MJKOUCSRBSMRQT-UHFFFAOYSA-N 1 0 212.297 1.386 10 0 BDAERO CC(C)(C)CNC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000334923263 534609060 /nfs/dbraw/zinc/60/90/60/534609060.db2.gz ULJYUIUWQOJGBQ-SNVBAGLBSA-N 1 0 241.379 1.801 10 0 BDAERO CC[C@H]([NH3+])c1noc(C(F)(F)Cl)n1 ZINC000095532802 522348276 /nfs/dbraw/zinc/34/82/76/522348276.db2.gz VTBSOLBDUDWEPK-VKHMYHEASA-N 1 0 211.599 1.768 10 0 BDAERO CCc1nc2cccnc2n1[C@@H]1CC[NH2+]C1 ZINC000258457965 522506118 /nfs/dbraw/zinc/50/61/18/522506118.db2.gz DIBWJHRHLIHDDD-SECBINFHSA-N 1 0 216.288 1.528 10 0 BDAERO O=C1OC[C@@H]2[C@@H]([NH2+]Cc3ccccc3)CCCN12 ZINC000306668141 534816566 /nfs/dbraw/zinc/81/65/66/534816566.db2.gz JXMGZQLHAJPGBK-QWHCGFSZSA-N 1 0 246.310 1.759 10 0 BDAERO Cc1ccc(-c2noc(C[C@H]([NH3+])C(C)C)n2)n1C ZINC000229002968 525882694 /nfs/dbraw/zinc/88/26/94/525882694.db2.gz BTQUEOICEIQLKX-JTQLQIEISA-N 1 0 248.330 1.909 10 0 BDAERO c1coc(-c2nc([C@@H]3CC[NH2+]C3)no2)c1 ZINC000257910914 526562736 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/nfs/dbraw/zinc/89/21/32/535892132.db2.gz JHMLGQFMINJKIH-QCNOEVLYSA-N 1 0 240.347 1.140 10 0 BDAERO CCc1nsc(N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000261535452 535912085 /nfs/dbraw/zinc/91/20/85/535912085.db2.gz ZBFROFDEZBDJQI-IUCAKERBSA-N 1 0 240.376 1.664 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253095827 535983322 /nfs/dbraw/zinc/98/33/22/535983322.db2.gz POSSEBLAPMWUIF-DGAVXFQQSA-N 1 0 241.375 1.773 10 0 BDAERO CC[C@@]1(C(=O)NCc2ccn(C)c2)CC[NH2+]C1 ZINC000227759327 536025825 /nfs/dbraw/zinc/02/58/25/536025825.db2.gz UILSKLKTJLHOBG-CYBMUJFWSA-N 1 0 235.331 1.031 10 0 BDAERO CCc1c(C)nc(C)nc1N1CCC(C[NH3+])CC1 ZINC000045954884 536070401 /nfs/dbraw/zinc/07/04/01/536070401.db2.gz WMNKLVPMASBEJV-UHFFFAOYSA-N 1 0 248.374 1.831 10 0 BDAERO CC[C@H](COC)[NH2+][C@H]1CCCC[C@H]1O ZINC000251105638 536122984 /nfs/dbraw/zinc/12/29/84/536122984.db2.gz SHGVADZBHUFJTD-OUAUKWLOSA-N 1 0 201.310 1.305 10 0 BDAERO CCc1ccc(C(=O)N(C)C2C[NH2+]C2)cc1 ZINC000085257682 536162384 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/nfs/dbraw/zinc/41/55/42/566415542.db2.gz LPABHVBVQFTZSS-UHFFFAOYSA-N 1 0 230.311 1.051 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cnsc1 ZINC000669377244 566423978 /nfs/dbraw/zinc/42/39/78/566423978.db2.gz LBIDOEYOQSXJNN-BDAKNGLRSA-N 1 0 200.307 1.552 10 0 BDAERO C[C@H]1C[C@@H](c2cnn(C3CC3)c2N)CC[NH2+]1 ZINC000669384985 566427736 /nfs/dbraw/zinc/42/77/36/566427736.db2.gz RGPNVPVRSWFORS-IUCAKERBSA-N 1 0 220.320 1.656 10 0 BDAERO [NH3+]CCc1csc(C(=O)C2CCC2)n1 ZINC000757126265 582501394 /nfs/dbraw/zinc/50/13/94/582501394.db2.gz VNXFRXFXNZOLQN-UHFFFAOYSA-N 1 0 210.302 1.627 10 0 BDAERO CN1CCc2cc(NC[C@H](O)C3CC3)ccc21 ZINC000757129623 582504104 /nfs/dbraw/zinc/50/41/04/582504104.db2.gz MMWIDVCGFFACHB-AWEZNQCLSA-N 1 0 232.327 1.862 10 0 BDAERO COCCN1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757128119 582504133 /nfs/dbraw/zinc/50/41/33/582504133.db2.gz IVTCAZFSRGTECI-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO C[NH2+]Cc1csc([C@H](O)C2CCC2)n1 ZINC000757130655 582504397 /nfs/dbraw/zinc/50/43/97/582504397.db2.gz QLBVXKKMUQLTIS-SECBINFHSA-N 1 0 212.318 1.696 10 0 BDAERO Cc1nc([C@H](O)C(C)(C)F)sc1CC[NH3+] ZINC000757131729 582506180 /nfs/dbraw/zinc/50/61/80/582506180.db2.gz SKXDUCXWMNNTGY-QMMMGPOBSA-N 1 0 232.324 1.734 10 0 BDAERO CC(C)Cn1nnc(Br)c1C[NH3+] ZINC000757137750 582516481 /nfs/dbraw/zinc/51/64/81/582516481.db2.gz MSINWTBRWRTPMP-UHFFFAOYSA-N 1 0 233.113 1.155 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ccnc2ccsc21 ZINC000757140430 582520733 /nfs/dbraw/zinc/52/07/33/582520733.db2.gz DXSZKTOWYCTTOX-MRVPVSSYSA-N 1 0 219.313 1.834 10 0 BDAERO C[C@H]1CCC[C@]2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757141269 582521889 /nfs/dbraw/zinc/52/18/89/582521889.db2.gz KREMGLTVDRHAAE-AAEUAGOBSA-N 1 0 225.332 1.919 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1noc2ccccc21 ZINC000757145226 582526907 /nfs/dbraw/zinc/52/69/07/582526907.db2.gz KZAYALZLLFHING-QMMMGPOBSA-N 1 0 203.245 1.365 10 0 BDAERO COC[C@@H]1CCO[C@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757145141 582528078 /nfs/dbraw/zinc/52/80/78/582528078.db2.gz HWNHDHKRIXLWGX-JQWIXIFHSA-N 1 0 213.321 1.918 10 0 BDAERO C[NH+]1CCC2(CC1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757153868 582538246 /nfs/dbraw/zinc/53/82/46/582538246.db2.gz ZQWCOQHWLZBJAC-LLVKDONJSA-N 1 0 210.321 1.054 10 0 BDAERO Cc1cc(C[C@H]2C[NH2+]C[C@H]2O)ccc1Cl ZINC000757153755 582538463 /nfs/dbraw/zinc/53/84/63/582538463.db2.gz RNIKJSYTTDNCLJ-CMPLNLGQSA-N 1 0 225.719 1.771 10 0 BDAERO CC(C)[C@H]1[NH2+][C@@]2(CCOC2)OCC1(C)C ZINC000757153824 582539142 /nfs/dbraw/zinc/53/91/42/582539142.db2.gz XWMHODICDXAPMI-PWSUYJOCSA-N 1 0 213.321 1.774 10 0 BDAERO [NH3+]C[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC000757155940 582539708 /nfs/dbraw/zinc/53/97/08/582539708.db2.gz JDRQYOSDJRNKNY-DTWKUNHWSA-N 1 0 204.264 1.455 10 0 BDAERO C[NH2+]C[C@H](O)CSCc1occc1C ZINC000757162770 582545339 /nfs/dbraw/zinc/54/53/39/582545339.db2.gz AXXKEQFAMVZXIV-VIFPVBQESA-N 1 0 215.318 1.402 10 0 BDAERO Cc1ccoc1CSC[C@H]([NH3+])CO ZINC000757165910 582548189 /nfs/dbraw/zinc/54/81/89/582548189.db2.gz ONRMVVVYZUFYLB-MRVPVSSYSA-N 1 0 201.291 1.141 10 0 BDAERO C[NH2+][C@@H](CCO)CSCc1occc1C ZINC000757167587 582548629 /nfs/dbraw/zinc/54/86/29/582548629.db2.gz XKWVEUSMHJEMRQ-JTQLQIEISA-N 1 0 229.345 1.792 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)Nc2cc(F)c(F)cc21 ZINC000757176001 582553381 /nfs/dbraw/zinc/55/33/81/582553381.db2.gz URTWMIYGTXWKLL-YFKPBYRVSA-N 1 0 212.199 1.349 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cscn1 ZINC000757187372 582555443 /nfs/dbraw/zinc/55/54/43/582555443.db2.gz HJYFDMBHYDLEFB-JGVFFNPUSA-N 1 0 226.301 1.009 10 0 BDAERO CC(=O)c1ccc([C@@H]2CC[NH2+]C[C@H]2N)cc1 ZINC000757209852 582559545 /nfs/dbraw/zinc/55/95/45/582559545.db2.gz DGRIRFWPDBKPHF-QWHCGFSZSA-N 1 0 218.300 1.293 10 0 BDAERO NC[C@H]1C[C@@H](c2cccc(N)c2)CC[NH2+]1 ZINC000757213362 582560710 /nfs/dbraw/zinc/56/07/10/582560710.db2.gz JRUBCPXZXHHPHJ-CMPLNLGQSA-N 1 0 205.305 1.063 10 0 BDAERO CC(=O)c1cccc([C@@H]2CC[NH2+][C@H](CN)C2)c1 ZINC000757213288 582560829 /nfs/dbraw/zinc/56/08/29/582560829.db2.gz JFSIJMXIVZBXBS-KGLIPLIRSA-N 1 0 232.327 1.684 10 0 BDAERO C[C@@H]1C[C@H](C(=O)[O-])C[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757220277 582563785 /nfs/dbraw/zinc/56/37/85/582563785.db2.gz XYRCCCOPCOJFPN-JIMOISOXSA-N 1 0 248.326 1.659 10 0 BDAERO COC1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400484400 582579132 /nfs/dbraw/zinc/57/91/32/582579132.db2.gz ACPOAVLCTOYGOT-UHFFFAOYSA-N 1 0 221.304 1.340 10 0 BDAERO Cc1cccc([C@H]2CCNC3=[NH+]CCN32)c1 ZINC000236023025 582636438 /nfs/dbraw/zinc/63/64/38/582636438.db2.gz FWFNPQITTPZXHV-GFCCVEGCSA-N 1 0 215.300 1.701 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@H]2c1cccnc1 ZINC000236046466 582637421 /nfs/dbraw/zinc/63/74/21/582637421.db2.gz IEWHFDXTGAZERI-NSHDSACASA-N 1 0 214.272 1.992 10 0 BDAERO Fc1cccc(-c2cnnn2[C@H]2CC[NH2+]C2)c1 ZINC000258471260 582711923 /nfs/dbraw/zinc/71/19/23/582711923.db2.gz IOKCIKGBHQUEKU-NSHDSACASA-N 1 0 232.262 1.619 10 0 BDAERO [NH3+]Cc1c(C2CCC2)nc2n1CCCC2 ZINC000258952513 582754770 /nfs/dbraw/zinc/75/47/70/582754770.db2.gz BFTSOGYTTAUPKC-UHFFFAOYSA-N 1 0 205.305 1.946 10 0 BDAERO COC[C@@H](C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000393655596 582849611 /nfs/dbraw/zinc/84/96/11/582849611.db2.gz GOLZZPZPAWJHLC-VHSXEESVSA-N 1 0 203.326 1.266 10 0 BDAERO CC(C)n1nccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000394627043 583004650 /nfs/dbraw/zinc/00/46/50/583004650.db2.gz WZNHJKZXUUHFTG-WCQYABFASA-N 1 0 237.347 1.857 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cn1 ZINC000114479226 588874952 /nfs/dbraw/zinc/87/49/52/588874952.db2.gz TZSTXNVBVAPFHR-RKDXNWHRSA-N 1 0 240.690 1.211 10 0 BDAERO c1cc2c(s1)CC[NH2+][C@]21CCN(C2CC2)C1 ZINC000397160343 583097559 /nfs/dbraw/zinc/09/75/59/583097559.db2.gz SVJGETITGPPSCI-ZDUSSCGKSA-N 1 0 234.368 1.957 10 0 BDAERO CC[NH2+]CC1CCC(C(=O)OCC)CC1 ZINC000147702410 583700086 /nfs/dbraw/zinc/70/00/86/583700086.db2.gz NADSWOAAWNPGPE-UHFFFAOYSA-N 1 0 213.321 1.965 10 0 BDAERO [NH3+]Cc1c(C(F)(F)F)nc2ccccn21 ZINC000082642754 583903253 /nfs/dbraw/zinc/90/32/53/583903253.db2.gz CYBKHJYCDOGCQK-UHFFFAOYSA-N 1 0 215.178 1.812 10 0 BDAERO [NH3+]C1(c2ccccc2Br)CC(O)C1 ZINC000259122104 585023221 /nfs/dbraw/zinc/02/32/21/585023221.db2.gz ZRPMSUMOCFTEIJ-UHFFFAOYSA-N 1 0 242.116 1.758 10 0 BDAERO c1cn2c([nH+]1)NCC[C@H]2c1ccccn1 ZINC000232462791 585031026 /nfs/dbraw/zinc/03/10/26/585031026.db2.gz KFAUQWVDVLBSHC-JTQLQIEISA-N 1 0 200.245 1.683 10 0 BDAERO c1cn2c([nH+]1)N[C@H](c1cccnc1)CC2 ZINC000232456270 585031081 /nfs/dbraw/zinc/03/10/81/585031081.db2.gz YQNZUGSTAZUZBS-JTQLQIEISA-N 1 0 200.245 1.835 10 0 BDAERO CC(C)[C@H]([NH3+])C1=NCc2ccccc2N1 ZINC000071372351 585165212 /nfs/dbraw/zinc/16/52/12/585165212.db2.gz ALJMOHRSGKTHFD-NSHDSACASA-N 1 0 203.289 1.803 10 0 BDAERO FC(F)[C@@H]1CC[NH2+][C@]2(CN3CCC2CC3)O1 ZINC000757150028 586428856 /nfs/dbraw/zinc/42/88/56/586428856.db2.gz WQAWEMOXOYSEBF-GXSJLCMTSA-N 1 0 232.274 1.052 10 0 BDAERO CC1(C)CC[C@]2(C1)NC1(C[NH2+]C1)CCO2 ZINC000757146441 586429147 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586436041 /nfs/dbraw/zinc/43/60/41/586436041.db2.gz YVJRHQXUTINMNW-DTWKUNHWSA-N 1 0 237.303 1.054 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2CCC[NH2+][C@H]2C(=O)[O-])cc1 ZINC000757206851 586437211 /nfs/dbraw/zinc/43/72/11/586437211.db2.gz AQAFHFGWBOLBCM-NWDGAFQWSA-N 1 0 234.299 1.066 10 0 BDAERO CC(C)(C)n1cc([C@H]2CNC[C@@H]([NH3+])C2)cn1 ZINC000757210046 586438534 /nfs/dbraw/zinc/43/85/34/586438534.db2.gz AESNXPVSRNLRSM-KOLCDFICSA-N 1 0 222.336 1.042 10 0 BDAERO NC[C@@H]1C[C@H](c2cccc(N)c2)CC[NH2+]1 ZINC000757213366 586439490 /nfs/dbraw/zinc/43/94/90/586439490.db2.gz JRUBCPXZXHHPHJ-PWSUYJOCSA-N 1 0 205.305 1.063 10 0 BDAERO C[C@@H]1C[C@@H](c2cccc(C=O)c2)NC[C@@H]1[NH3+] ZINC000757217188 586441111 /nfs/dbraw/zinc/44/11/11/586441111.db2.gz RIFOAGZGZQTXEI-ICCXJUOJSA-N 1 0 218.300 1.497 10 0 BDAERO C[C@@H]1CC[C@H]([NH3+])[C@H](c2cccc(C=O)c2)N1 ZINC000757216786 586441441 /nfs/dbraw/zinc/44/14/41/586441441.db2.gz QCDGGOYPNRXIBO-ICCXJUOJSA-N 1 0 218.300 1.639 10 0 BDAERO C[C@@H]1N[C@@H](c2cccc(C=O)c2)CC[C@@H]1[NH3+] ZINC000757217457 586441627 /nfs/dbraw/zinc/44/16/27/586441627.db2.gz RUMWKIWYBQBFRZ-TVYUQYBPSA-N 1 0 218.300 1.639 10 0 BDAERO [NH3+]Cc1ccc([C@H]2CC[NH2+][C@H](C(=O)[O-])C2)cc1 ZINC000757217229 586441762 /nfs/dbraw/zinc/44/17/62/586441762.db2.gz RNZJSRUNTHKBEQ-RYUDHWBXSA-N 1 0 234.299 1.066 10 0 BDAERO CC(=O)c1ccc([C@@H]2NC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000757217995 586441806 /nfs/dbraw/zinc/44/18/06/586441806.db2.gz UCIJPLQURXPKRG-CUOATXAZSA-N 1 0 232.327 1.887 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)cc1 ZINC000757220351 586442093 /nfs/dbraw/zinc/44/20/93/586442093.db2.gz YXTBIZVAHKDZGT-RYUDHWBXSA-N 1 0 234.299 1.413 10 0 BDAERO C[C@@H]1CCN[C@@H](c2cnn(C(C)(C)C)c2)[C@@H]1[NH3+] ZINC000757239591 586444164 /nfs/dbraw/zinc/44/41/64/586444164.db2.gz UYIYLCSXZIXBOM-JLLWLGSASA-N 1 0 236.363 1.636 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1[NH2+]C[C@@H](C)C[C@H]1N ZINC000757239265 586444366 /nfs/dbraw/zinc/44/43/66/586444366.db2.gz TYJODZGDBZHUEM-CKLFPEKLSA-N 1 0 219.332 1.575 10 0 BDAERO CC(C)(C)n1cc([C@H]2C[C@H]([NH3+])CCN2)cn1 ZINC000757238553 586444476 /nfs/dbraw/zinc/44/44/76/586444476.db2.gz SSGNZIXWFJEPNP-GHMZBOCLSA-N 1 0 222.336 1.390 10 0 BDAERO CC[C@@H]1CN(C/C=C/Cl)CC[N@@H+]1C[C@@H](C)O ZINC000105912947 588229520 /nfs/dbraw/zinc/22/95/20/588229520.db2.gz LWAKGQYWUKFBBZ-GKUNOOHESA-N 1 0 246.782 1.516 10 0 BDAERO C[NH2+]CCCNC(=O)[C@@H](C)Cc1ccccc1 ZINC000121694455 589526594 /nfs/dbraw/zinc/52/65/94/589526594.db2.gz IEYUHWBNLDJAMH-LBPRGKRZSA-N 1 0 234.343 1.591 10 0 BDAERO Cn1ccnc1-c1noc([C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000122174672 589560660 /nfs/dbraw/zinc/56/06/60/589560660.db2.gz GOICHYNYKUXATF-RKDXNWHRSA-N 1 0 247.302 1.313 10 0 BDAERO CCNC(=S)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000124315928 589974752 /nfs/dbraw/zinc/97/47/52/589974752.db2.gz UCFALBUPAXYXKF-WDEREUQCSA-N 1 0 241.404 1.439 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000019784032 589978755 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/nfs/dbraw/zinc/57/99/69/591579969.db2.gz LLZJXEYLOYWKEX-MUWHJKNJSA-N 1 0 211.265 1.057 10 0 BDAERO CO[C@H](c1noc([C@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000131981405 591682660 /nfs/dbraw/zinc/68/26/60/591682660.db2.gz QLSXRCPFTIRTOC-UWVGGRQHSA-N 1 0 237.303 1.634 10 0 BDAERO O=C(N1CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000133475570 591798591 /nfs/dbraw/zinc/79/85/91/591798591.db2.gz YNAMSADFOGESAU-GFCCVEGCSA-N 1 0 237.347 1.372 10 0 BDAERO C[NH+](C)C1(CNC(=O)n2ccnc2)CCCC1 ZINC000133562046 591827950 /nfs/dbraw/zinc/82/79/50/591827950.db2.gz MEZJGGZGTZZUJP-UHFFFAOYSA-N 1 0 236.319 1.315 10 0 BDAERO Cc1ccccc1OCCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049473 592501539 /nfs/dbraw/zinc/50/15/39/592501539.db2.gz SATVKZNACOMYHL-QWHCGFSZSA-N 1 0 234.343 1.653 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCOCC(C)C)C[C@H]1C ZINC000300087575 592502573 /nfs/dbraw/zinc/50/25/73/592502573.db2.gz MMMKSLPQPCNCBH-NEPJUHHUSA-N 1 0 243.347 1.400 10 0 BDAERO CSC[C@@H](C)c1nc([C@H](C)C[NH3+])no1 ZINC000300775982 592519794 /nfs/dbraw/zinc/51/97/94/592519794.db2.gz MGCUQJUDABKFFT-RNFRBKRXSA-N 1 0 215.322 1.598 10 0 BDAERO COCC[C@H](CO)[NH2+]CCc1ccccc1 ZINC000300915448 592524816 /nfs/dbraw/zinc/52/48/16/592524816.db2.gz SNOHKBKWVYQFLS-CYBMUJFWSA-N 1 0 223.316 1.216 10 0 BDAERO CNC(=O)[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C(C)C ZINC000336761094 635285887 /nfs/dbraw/zinc/28/58/87/635285887.db2.gz KEAGOBYOFXISHL-SDDRHHMPSA-N 1 0 224.348 1.535 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC000094996323 635402914 /nfs/dbraw/zinc/40/29/14/635402914.db2.gz MHZVDKRKSDBACY-MNOVXSKESA-N 1 0 213.321 1.773 10 0 BDAERO [NH3+]C1CC(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000250883484 635503751 /nfs/dbraw/zinc/50/37/51/635503751.db2.gz VZRFBLJZDUNUQY-UIXRGBAFSA-N 1 0 222.332 1.276 10 0 BDAERO CCOCCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996439 635510038 /nfs/dbraw/zinc/51/00/38/635510038.db2.gz YEYUSHFGKJAEQN-WDEREUQCSA-N 1 0 229.320 1.154 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2cc(C)cnn2)C1 ZINC000233492663 635536096 /nfs/dbraw/zinc/53/60/96/635536096.db2.gz MQWFDPCAJRWPSI-NSHDSACASA-N 1 0 220.320 1.681 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(F)ccc1C ZINC000234552423 635557335 /nfs/dbraw/zinc/55/73/35/635557335.db2.gz FPKOCHOTQJWKTC-NEPJUHHUSA-N 1 0 237.274 1.610 10 0 BDAERO CCC[C@H](O)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308345712 631296528 /nfs/dbraw/zinc/29/65/28/631296528.db2.gz OMRIFUDBKGDIAK-SRVKXCTJSA-N 1 0 227.348 1.695 10 0 BDAERO Cc1nnc([C@]2([NH3+])CCC[C@H](C)C2)n1C ZINC000042013715 631352442 /nfs/dbraw/zinc/35/24/42/631352442.db2.gz GXXNXZGQUSWVJD-KWQFWETISA-N 1 0 208.309 1.488 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1cccnc1Cl ZINC000308473638 631354625 /nfs/dbraw/zinc/35/46/25/631354625.db2.gz AHSYDQLCYXNIEJ-YUMQZZPRSA-N 1 0 214.696 1.594 10 0 BDAERO CC(C)(C)Cc1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000082673331 631409471 /nfs/dbraw/zinc/40/94/71/631409471.db2.gz VALVXOSFZIQECN-VIFPVBQESA-N 1 0 223.320 1.953 10 0 BDAERO [NH3+]C1CC(CNC(=O)Nc2ccccc2)C1 ZINC000084447343 631439010 /nfs/dbraw/zinc/43/90/10/631439010.db2.gz MVUZTFVCBPEPDY-UHFFFAOYSA-N 1 0 219.288 1.545 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccccc2F)C1 ZINC000084446802 631440019 /nfs/dbraw/zinc/44/00/19/631440019.db2.gz BPFRSNSUQUFEPZ-UHFFFAOYSA-N 1 0 222.263 1.293 10 0 BDAERO Cc1ccccc1C(=O)NCC1CC([NH3+])C1 ZINC000084447073 631440102 /nfs/dbraw/zinc/44/01/02/631440102.db2.gz UJEVOJJIJDZJHR-UHFFFAOYSA-N 1 0 218.300 1.462 10 0 BDAERO CC(C)Oc1cc(NCC2CC([NH3+])C2)ncn1 ZINC000090786680 631532168 /nfs/dbraw/zinc/53/21/68/631532168.db2.gz GGVWWEXLGLNTLL-UHFFFAOYSA-N 1 0 236.319 1.413 10 0 BDAERO [NH3+]C1(CC(=O)N[C@H]2COc3ccccc32)CCC1 ZINC000094295515 631577232 /nfs/dbraw/zinc/57/72/32/631577232.db2.gz MLWBSJFISCMLGE-NSHDSACASA-N 1 0 246.310 1.508 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCOCC(C)C)C[C@@H]1C ZINC000234551521 631584304 /nfs/dbraw/zinc/58/43/04/631584304.db2.gz MMMKSLPQPCNCBH-RYUDHWBXSA-N 1 0 243.347 1.400 10 0 BDAERO CC(C)C[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000308810127 631664290 /nfs/dbraw/zinc/66/42/90/631664290.db2.gz PWIDYPOATOZCJD-WDEREUQCSA-N 1 0 217.353 1.390 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000308909689 631722241 /nfs/dbraw/zinc/72/22/41/631722241.db2.gz SSAZYZLYKWTVMG-MXWKQRLJSA-N 1 0 208.305 1.019 10 0 BDAERO CC(C)CCCC[NH2+][C@@H]1CCCNC1=O ZINC000308846305 631914670 /nfs/dbraw/zinc/91/46/70/631914670.db2.gz MINGWBQRPZPEIR-LLVKDONJSA-N 1 0 212.337 1.681 10 0 BDAERO C[NH2+]CCc1noc(COc2ccccc2)n1 ZINC000051850640 631963330 /nfs/dbraw/zinc/96/33/30/631963330.db2.gz LBPLMRBHGWYFLK-UHFFFAOYSA-N 1 0 233.271 1.411 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)C=C1CCC(C)CC1 ZINC000178668664 632013839 /nfs/dbraw/zinc/01/38/39/632013839.db2.gz BCAMQDYXOUXSCQ-RRKGBCIJSA-N 1 0 224.348 1.976 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)NCC[C@H](C)[NH3+] ZINC000178698312 632034485 /nfs/dbraw/zinc/03/44/85/632034485.db2.gz UYBADFJJTXWSJT-NEPJUHHUSA-N 1 0 234.343 1.719 10 0 BDAERO C[C@@H]([NH2+]CCC1OCCCO1)[C@@H]1CCCO1 ZINC000309425982 632046851 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633747332 /nfs/dbraw/zinc/74/73/32/633747332.db2.gz KATUXEITHPHPTB-GXTWGEPZSA-N 1 0 233.311 1.967 10 0 BDAERO CC(F)(F)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000328517996 633769764 /nfs/dbraw/zinc/76/97/64/633769764.db2.gz QKEQNARTJNKKRU-DHBOJHSNSA-N 1 0 218.247 1.041 10 0 BDAERO CC(C)[N@@H+](C)C[C@H](C)NC(=O)n1ccnc1 ZINC000309233971 633872732 /nfs/dbraw/zinc/87/27/32/633872732.db2.gz LFIPHISYZPAMEJ-JTQLQIEISA-N 1 0 224.308 1.170 10 0 BDAERO c1cn2c(n1)CC[C@H]([NH2+]Cc1ccoc1)C2 ZINC000309632278 633978563 /nfs/dbraw/zinc/97/85/63/633978563.db2.gz RKZKIULHPUJWAG-NSHDSACASA-N 1 0 217.272 1.581 10 0 BDAERO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@H](C)O ZINC000309971142 634004338 /nfs/dbraw/zinc/00/43/38/634004338.db2.gz PNEOHOSDIZDYOS-RITPCOANSA-N 1 0 237.225 1.287 10 0 BDAERO C[C@@H](NC(=O)CCCCC[NH3+])[C@H]1CCCO1 ZINC000035734975 634078829 /nfs/dbraw/zinc/07/88/29/634078829.db2.gz AHMJSSKNBDXHLD-GHMZBOCLSA-N 1 0 228.336 1.189 10 0 BDAERO CCOC(C[N@@H+]1CCC[C@@H](C(C)=O)C1)OCC ZINC000162365080 634101905 /nfs/dbraw/zinc/10/19/05/634101905.db2.gz DVMWWRAJQRTISJ-GFCCVEGCSA-N 1 0 243.347 1.687 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(Cc2ccccn2)no1 ZINC000104061728 634325693 /nfs/dbraw/zinc/32/56/93/634325693.db2.gz GRUTYHANGGEWQC-NSHDSACASA-N 1 0 246.314 1.581 10 0 BDAERO COc1ccc(CN(C)C(=O)C2CC([NH3+])C2)cc1 ZINC000258609264 635172802 /nfs/dbraw/zinc/17/28/02/635172802.db2.gz AWRYNJXNTKYXKY-UHFFFAOYSA-N 1 0 248.326 1.391 10 0 BDAERO CC(C)OC1CC([NH2+][C@H](C)[C@H](C)O)C1 ZINC000336649704 635200366 /nfs/dbraw/zinc/20/03/66/635200366.db2.gz HYEZDJVFANPRIB-MFQSTILNSA-N 1 0 201.310 1.301 10 0 BDAERO CC(C)(CO)[NH2+]CCc1ccccc1F ZINC000258819285 635207737 /nfs/dbraw/zinc/20/77/37/635207737.db2.gz LIMQIHJTSAUOOB-UHFFFAOYSA-N 1 0 211.280 1.729 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCCOC[C@@H]1C ZINC000399326165 635241824 /nfs/dbraw/zinc/24/18/24/635241824.db2.gz MHYWCLOVXGFVJW-QWHCGFSZSA-N 1 0 245.363 1.275 10 0 BDAERO OCCCCCC[N@@H+]1CCn2ccnc2C1 ZINC000226837576 635443004 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/nfs/dbraw/zinc/74/30/71/636743071.db2.gz OOESPQRHUBHVEK-MWLCHTKSSA-N 1 0 208.309 1.662 10 0 BDAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@@H](C)O)CC2 ZINC000348314931 639043758 /nfs/dbraw/zinc/04/37/58/639043758.db2.gz HVXATSAWRXNNDO-MISXGVKJSA-N 1 0 249.354 1.911 10 0 BDAERO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@H](C)O ZINC000348327620 639058589 /nfs/dbraw/zinc/05/85/89/639058589.db2.gz OPOALTXYRULCQH-SRVKXCTJSA-N 1 0 237.343 1.985 10 0 BDAERO COc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@@H](C)O ZINC000348327613 639059378 /nfs/dbraw/zinc/05/93/78/639059378.db2.gz OPOALTXYRULCQH-QJPTWQEYSA-N 1 0 237.343 1.985 10 0 BDAERO C[C@@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)C1CC1 ZINC000129469741 640209326 /nfs/dbraw/zinc/20/93/26/640209326.db2.gz MWFZTAPEXPNZDO-PSASIEDQSA-N 1 0 212.337 1.665 10 0 BDAERO CC(C)C[C@@H]([NH3+])c1nc(C2CC2)nn1C ZINC000054698343 640304165 /nfs/dbraw/zinc/30/41/65/640304165.db2.gz BVJKXXJQDGMDEQ-SECBINFHSA-N 1 0 208.309 1.738 10 0 BDAERO C[C@@H]([NH3+])c1nc(-c2cccs2)nn1C ZINC000054699850 640321002 /nfs/dbraw/zinc/32/10/02/640321002.db2.gz OEUGKVVYPWAINJ-ZCFIWIBFSA-N 1 0 208.290 1.563 10 0 BDAERO Cn1nc(-c2cccs2)nc1CCC[NH3+] ZINC000054699812 640321400 /nfs/dbraw/zinc/32/14/00/640321400.db2.gz VSPPYTDLZBZAME-UHFFFAOYSA-N 1 0 222.317 1.435 10 0 BDAERO c1cc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)ncn1 ZINC000156308544 640398310 /nfs/dbraw/zinc/39/83/10/640398310.db2.gz CYJVJSUBDHGMDR-VIFPVBQESA-N 1 0 245.286 1.069 10 0 BDAERO CSCC[C@@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000163701536 640410931 /nfs/dbraw/zinc/41/09/31/640410931.db2.gz YEGPACNXBGQETC-ZYHUDNBSSA-N 1 0 244.404 1.776 10 0 BDAERO [NH3+]CC[C@H]1CCN(c2ncncc2Cl)C1 ZINC000163772167 640415671 /nfs/dbraw/zinc/41/56/71/640415671.db2.gz HGTQOUKETUFPKJ-QMMMGPOBSA-N 1 0 226.711 1.305 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055086156 640434399 /nfs/dbraw/zinc/43/43/99/640434399.db2.gz GJZKOLYQDHOYSI-MXWKQRLJSA-N 1 0 212.337 1.665 10 0 BDAERO COCC[C@@H](C)[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000225612310 640703352 /nfs/dbraw/zinc/70/33/52/640703352.db2.gz QUGGRGIPDNJDID-ZYHUDNBSSA-N 1 0 213.321 1.712 10 0 BDAERO Cc1nc(CCC2CC[NH2+]CC2)n(C)n1 ZINC000054499133 640705362 /nfs/dbraw/zinc/70/53/62/640705362.db2.gz DQINJGHMLNHTTC-UHFFFAOYSA-N 1 0 208.309 1.056 10 0 BDAERO CCn1ncnc1CC[C@H]1CCC[NH2+]C1 ZINC000054499060 640706637 /nfs/dbraw/zinc/70/66/37/640706637.db2.gz HCRFHQVOOPTKOK-SNVBAGLBSA-N 1 0 208.309 1.230 10 0 BDAERO CC[C@@H]1CC[NH2+][C@H](C(C(C)=O)C(C)=O)C1 ZINC000167560239 640730763 /nfs/dbraw/zinc/73/07/63/640730763.db2.gz AMTHLLMLRGSSFO-MNOVXSKESA-N 1 0 211.305 1.559 10 0 BDAERO CC[C@@H]1CC[NH2+][C@@H](C(C(C)=O)C(C)=O)C1 ZINC000167560463 640730825 /nfs/dbraw/zinc/73/08/25/640730825.db2.gz AMTHLLMLRGSSFO-GHMZBOCLSA-N 1 0 211.305 1.559 10 0 BDAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)n3ccnc3)CC[C@H]21 ZINC000227191715 640817934 /nfs/dbraw/zinc/81/79/34/640817934.db2.gz LLTQYHWIXTYCKA-VXGBXAGGSA-N 1 0 248.330 1.267 10 0 BDAERO O[C@H](C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000227193812 640818067 /nfs/dbraw/zinc/81/80/67/640818067.db2.gz WEXQQYPUFPLNCO-JHJVBQTASA-N 1 0 225.332 1.401 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCC1CCC1 ZINC000229107997 640924365 /nfs/dbraw/zinc/92/43/65/640924365.db2.gz VZPNFCMXXGYPKL-NSHDSACASA-N 1 0 212.337 1.666 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC12CCC(C)CC2 ZINC000229203982 640932292 /nfs/dbraw/zinc/93/22/92/640932292.db2.gz WBNXCESVQFCKJA-SQLBVSGCSA-N 1 0 211.305 1.575 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)o1 ZINC000229220220 640934369 /nfs/dbraw/zinc/93/43/69/640934369.db2.gz TZHORAWWQZBRAF-NXEZZACHSA-N 1 0 223.272 1.454 10 0 BDAERO c1nc(-c2noc([C@H]3CC[NH2+]C3)n2)cs1 ZINC000087588785 640934514 /nfs/dbraw/zinc/93/45/14/640934514.db2.gz LQZZSHZEYGZZFX-LURJTMIESA-N 1 0 222.273 1.270 10 0 BDAERO CCOc1ccc2c(c1)OC[C@H]([C@H](C)[NH3+])C2 ZINC000675064359 640962640 /nfs/dbraw/zinc/96/26/40/640962640.db2.gz YOXZAVKNVLITPG-GXSJLCMTSA-N 1 0 221.300 1.984 10 0 BDAERO C[C@@H]([NH3+])Cc1nc([C@H]2CCCCS2)no1 ZINC000087700354 640979371 /nfs/dbraw/zinc/97/93/71/640979371.db2.gz BJLORJOFQSMRFD-HTQZYQBOSA-N 1 0 227.333 1.918 10 0 BDAERO Cc1cnc([C@@H](C)NCC[NH+]2CCCC2)o1 ZINC000230645206 641075027 /nfs/dbraw/zinc/07/50/27/641075027.db2.gz PERPVSJCVODWFM-LLVKDONJSA-N 1 0 223.320 1.729 10 0 BDAERO CC(C)[C@H]1CCC[C@@](C[NH3+])(OCCO)C1 ZINC000231020162 641126316 /nfs/dbraw/zinc/12/63/16/641126316.db2.gz XJSUERJWRIJUQD-NWDGAFQWSA-N 1 0 215.337 1.539 10 0 BDAERO c1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)no1 ZINC000063084823 641127546 /nfs/dbraw/zinc/12/75/46/641127546.db2.gz XSRCHWDMJDAHMI-MRVPVSSYSA-N 1 0 234.259 1.267 10 0 BDAERO CCCCc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084523 641128010 /nfs/dbraw/zinc/12/80/10/641128010.db2.gz DVGJHXBFTAOOTM-SNVBAGLBSA-N 1 0 223.320 1.954 10 0 BDAERO CC(C)(CO)[NH2+]CC[C@H](O)c1ccccc1 ZINC000076746512 641188842 /nfs/dbraw/zinc/18/88/42/641188842.db2.gz FNOBKAALBGOZKN-LBPRGKRZSA-N 1 0 223.316 1.471 10 0 BDAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)s1 ZINC000088003807 641222831 /nfs/dbraw/zinc/22/28/31/641222831.db2.gz CAIGCUNTFSCTKF-RKDXNWHRSA-N 1 0 242.344 1.207 10 0 BDAERO CC[C@@H](O)C[NH+]1CCN(C/C=C/Cl)CC1 ZINC000174086867 641240428 /nfs/dbraw/zinc/24/04/28/641240428.db2.gz VXRSVPKCQNYOPJ-PGLGOXFNSA-N 1 0 232.755 1.127 10 0 BDAERO CC[C@@H](C)c1noc(C[C@H](C[NH3+])OC)n1 ZINC000232131226 641245537 /nfs/dbraw/zinc/24/55/37/641245537.db2.gz LGUFJEXWELTGDU-HTQZYQBOSA-N 1 0 213.281 1.099 10 0 BDAERO Oc1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)cc1F ZINC000232349439 641266100 /nfs/dbraw/zinc/26/61/00/641266100.db2.gz TZUYOSHPTXCFFG-QMMMGPOBSA-N 1 0 249.245 1.658 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000232614776 641306915 /nfs/dbraw/zinc/30/69/15/641306915.db2.gz BVYJQNOEYVKZQX-ZDUSSCGKSA-N 1 0 227.348 1.840 10 0 BDAERO Cn1cnc(CC[NH2+]CCc2ccccc2)c1 ZINC000313280555 641550100 /nfs/dbraw/zinc/55/01/00/641550100.db2.gz JIBVVCWJPNMJQE-UHFFFAOYSA-N 1 0 229.327 1.795 10 0 BDAERO O[C@@H](C[NH2+][C@H]1CCCC[C@H]1O)c1ccccc1 ZINC000313559234 641569379 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/nfs/dbraw/zinc/14/12/75/643141275.db2.gz GAVFFPDLUYYBMP-QWRGUYRKSA-N 1 0 203.326 1.539 10 0 BDAERO C1CCC2(CC1)CCO[C@@]1(CCC[NH2+]C1)N2 ZINC000757151692 643341585 /nfs/dbraw/zinc/34/15/85/643341585.db2.gz RGHBWAMSFWNANF-CYBMUJFWSA-N 1 0 224.348 1.779 10 0 BDAERO COC[C@H]1CCO[C@@]2(CCCSC2)[NH2+]1 ZINC000757152043 643343318 /nfs/dbraw/zinc/34/33/18/643343318.db2.gz UTIBUOQNTBXTHJ-NXEZZACHSA-N 1 0 217.334 1.235 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ncnc2ccsc21 ZINC000082592520 643351461 /nfs/dbraw/zinc/35/14/61/643351461.db2.gz KGIMLYOHJMRDPF-ZETCQYMHSA-N 1 0 222.317 1.475 10 0 BDAERO C[C@@H](SCc1ccc(Cl)o1)[C@@H](O)C[NH3+] ZINC000757169647 643353643 /nfs/dbraw/zinc/35/36/43/643353643.db2.gz KIEITLYTSUPSQL-SVRRBLITSA-N 1 0 235.736 1.874 10 0 BDAERO Cc1c([C@@H](C)[NH3+])cnn1-c1ccc(O)cc1 ZINC000757171264 643354633 /nfs/dbraw/zinc/35/46/33/643354633.db2.gz QXANROFPKVCCMV-MRVPVSSYSA-N 1 0 217.272 1.906 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CCN2CCCC2)C1 ZINC000082644552 643359178 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/nfs/dbraw/zinc/50/41/19/643504119.db2.gz LMAVEFAPBZTION-LLVKDONJSA-N 1 0 220.320 1.954 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083527061 643536412 /nfs/dbraw/zinc/53/64/12/643536412.db2.gz JCEXCXNKCYGTPY-OLZOCXBDSA-N 1 0 225.332 1.857 10 0 BDAERO CCc1nsc(N(CC)[C@H]2CC[NH2+]C2)n1 ZINC000083670665 643541893 /nfs/dbraw/zinc/54/18/93/643541893.db2.gz XUZKPJOSXRYWJU-QMMMGPOBSA-N 1 0 226.349 1.289 10 0 BDAERO CCN1CCC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269464 643631357 /nfs/dbraw/zinc/63/13/57/643631357.db2.gz RMIMKQBQWPTYHO-OLZOCXBDSA-N 1 0 224.348 1.753 10 0 BDAERO Cc1ccc(C)c2c1NC(=O)C[C@@H]2C[NH3+] ZINC000083985391 643637875 /nfs/dbraw/zinc/63/78/75/643637875.db2.gz JFCCMJAZBOBIQK-SECBINFHSA-N 1 0 204.273 1.688 10 0 BDAERO Cc1ncc(-c2nc3c(s2)C[NH2+]CC3)o1 ZINC000074045795 643642232 /nfs/dbraw/zinc/64/22/32/643642232.db2.gz XGCVLFOCRLHNNF-UHFFFAOYSA-N 1 0 221.285 1.752 10 0 BDAERO COC[C@H](C)[NH2+]CCSc1ccncc1 ZINC000087110766 643649663 /nfs/dbraw/zinc/64/96/63/643649663.db2.gz KEMKINPTWFFJLC-JTQLQIEISA-N 1 0 226.345 1.798 10 0 BDAERO CCCc1noc([C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084305495 643658010 /nfs/dbraw/zinc/65/80/10/643658010.db2.gz YNEYDTHSGLRHNS-RKDXNWHRSA-N 1 0 209.293 1.865 10 0 BDAERO CC(C)N(C)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301415 643658521 /nfs/dbraw/zinc/65/85/21/643658521.db2.gz RYXWOLVDPMNVCI-MNOVXSKESA-N 1 0 212.337 1.618 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CO)c(C)c1 ZINC000085246528 643697942 /nfs/dbraw/zinc/69/79/42/643697942.db2.gz WBRSWOMQNXRICT-NWDGAFQWSA-N 1 0 223.316 1.307 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035188355 643914263 /nfs/dbraw/zinc/91/42/63/643914263.db2.gz KPKYZSGRHDNDTJ-NXEZZACHSA-N 1 0 230.352 1.040 10 0 BDAERO Cc1nsc(N2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000086887204 644256691 /nfs/dbraw/zinc/25/66/91/644256691.db2.gz WNJCFCDSBDBIME-HTRCEHHLSA-N 1 0 212.322 1.020 10 0 BDAERO CNC(=O)[C@H]([NH2+]C[C@@H]1CCC=CO1)C(C)C ZINC000194522531 644326045 /nfs/dbraw/zinc/32/60/45/644326045.db2.gz HIGHDLNWLRGZMD-WDEREUQCSA-N 1 0 226.320 1.039 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCCSC(F)(F)F ZINC000195170185 644365758 /nfs/dbraw/zinc/36/57/58/644365758.db2.gz LRSZTJMJKFJKNX-ZCFIWIBFSA-N 1 0 244.282 1.483 10 0 BDAERO CN(C(=O)[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000084301675 644422191 /nfs/dbraw/zinc/42/21/91/644422191.db2.gz ORSGLKGIQXXFSM-KOLCDFICSA-N 1 0 210.321 1.372 10 0 BDAERO CCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301717 644423777 /nfs/dbraw/zinc/42/37/77/644423777.db2.gz NGOTYFALJQHFTC-GHMZBOCLSA-N 1 0 212.337 1.620 10 0 BDAERO CC[C@H](O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000086189610 644459480 /nfs/dbraw/zinc/45/94/80/644459480.db2.gz ZVSLJPWMLFJYDJ-RYUDHWBXSA-N 1 0 214.353 1.173 10 0 BDAERO C[C@@H](C[NH3+])c1noc(C2(C)CCCC2)n1 ZINC000087318907 644490304 /nfs/dbraw/zinc/49/03/04/644490304.db2.gz YSWIFXDLDNRUBQ-QMMMGPOBSA-N 1 0 209.293 1.964 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(O)cc1 ZINC000089090941 644533803 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ZINC000094996552 644734683 /nfs/dbraw/zinc/73/46/83/644734683.db2.gz FYTMWDHQWNNKSL-GARJFASQSA-N 1 0 213.321 1.773 10 0 BDAERO C[NH2+][C@@H]1CCN([C@H]2C[C@H]2c2ccccc2)C1 ZINC000250705285 644777314 /nfs/dbraw/zinc/77/73/14/644777314.db2.gz DSSIJUVNKPLREL-RDBSUJKOSA-N 1 0 216.328 1.836 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CCCCO1 ZINC000250866485 644784018 /nfs/dbraw/zinc/78/40/18/644784018.db2.gz RMRVWODJWUUYFN-TUAOUCFPSA-N 1 0 240.347 1.189 10 0 BDAERO CC(C)(C)Cc1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000096877284 644845062 /nfs/dbraw/zinc/84/50/62/644845062.db2.gz CEFOMJYESSIAOZ-VIFPVBQESA-N 1 0 239.319 1.189 10 0 BDAERO C[C@@H]1C[N@H+](CC2(O)CCCCC2)C[C@H]1N(C)C ZINC000252493829 644856972 /nfs/dbraw/zinc/85/69/72/644856972.db2.gz YQKHCDIXZMYHNO-CHWSQXEVSA-N 1 0 240.391 1.564 10 0 BDAERO COC(=O)[C@H]1CC[NH2+][C@@H](c2cc(N)ccc2C)C1 ZINC000757242320 644865896 /nfs/dbraw/zinc/86/58/96/644865896.db2.gz YATZVNPISDPNMP-GXFFZTMASA-N 1 0 248.326 1.791 10 0 BDAERO [NH3+][C@H]1CC[C@@H](c2nc(Cc3ccncc3)no2)C1 ZINC000097068177 644868952 /nfs/dbraw/zinc/86/89/52/644868952.db2.gz OTJJGWQTLSZWJO-MNOVXSKESA-N 1 0 244.298 1.650 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1(Cl)CC1 ZINC000723601058 711523547 /nfs/dbraw/zinc/52/35/47/711523547.db2.gz XSIVZKIPZGFRJR-DTWKUNHWSA-N 1 0 230.739 1.214 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@H]2COc3ccccc32)N1 ZINC000304511615 644910987 /nfs/dbraw/zinc/91/09/87/644910987.db2.gz GBDIFZQCPAXCLZ-SCZZXKLOSA-N 1 0 217.272 1.057 10 0 BDAERO C[C@@H]1CN(c2ncc(F)cn2)C[C@H]1CC[NH3+] ZINC000723887585 711543087 /nfs/dbraw/zinc/54/30/87/711543087.db2.gz VQMJTTOQSNJSPY-RKDXNWHRSA-N 1 0 224.283 1.037 10 0 BDAERO Cc1cn(C)nc1C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000724001492 711554263 /nfs/dbraw/zinc/55/42/63/711554263.db2.gz VLHJXPCYLIVZAN-JQWIXIFHSA-N 1 0 223.320 1.074 10 0 BDAERO Cc1cn(C)nc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000724008718 711555023 /nfs/dbraw/zinc/55/50/23/711555023.db2.gz AJHPJRHRYOSFSQ-WDEREUQCSA-N 1 0 223.320 1.074 10 0 BDAERO CC(C)[C@@H](C)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719096400 711666574 /nfs/dbraw/zinc/66/65/74/711666574.db2.gz DJFBLDORGWVPEK-GHMZBOCLSA-N 1 0 213.321 1.726 10 0 BDAERO [NH3+]C[C@H]1C[C@H](Nc2ncc(Cl)cn2)C1 ZINC000725654373 711668341 /nfs/dbraw/zinc/66/83/41/711668341.db2.gz SWGKHQQYOSHPBF-FKQCQYRASA-N 1 0 212.684 1.279 10 0 BDAERO COC1CC(CN2CC(=O)CC[C@@H]2C)C1 ZINC000725642879 711668477 /nfs/dbraw/zinc/66/84/77/711668477.db2.gz QWGYBRCNRWRLLT-BMQDGWLCSA-N 1 0 211.305 1.465 10 0 BDAERO CS/C=C\C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309382003 711677835 /nfs/dbraw/zinc/67/78/35/711677835.db2.gz DLQMNPJANFTCRV-XEJFTZQJSA-N 1 0 226.345 1.059 10 0 BDAERO CC(C)(O)[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000721829951 711777941 /nfs/dbraw/zinc/77/79/41/711777941.db2.gz BGAOHQZMQLUTLJ-JHJVBQTASA-N 1 0 241.375 1.630 10 0 BDAERO COC(=O)CCCC[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000707519270 712171778 /nfs/dbraw/zinc/17/17/78/712171778.db2.gz DYXDGRZDPHALIE-GFCCVEGCSA-N 1 0 241.331 1.631 10 0 BDAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000710969186 712270355 /nfs/dbraw/zinc/27/03/55/712270355.db2.gz HZDDBQLJUKYVFH-QCNOEVLYSA-N 1 0 225.332 1.916 10 0 BDAERO OCC1CC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711006649 712274454 /nfs/dbraw/zinc/27/44/54/712274454.db2.gz BVQFKGWCERJCQL-ZMFKDXALSA-N 1 0 209.333 1.926 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711447581 712301866 /nfs/dbraw/zinc/30/18/66/712301866.db2.gz VWZMSLQHZXTTRP-MNOVXSKESA-N 1 0 203.301 1.829 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CCOC3CC3)C[C@H]2C1 ZINC000711655071 712314221 /nfs/dbraw/zinc/31/42/21/712314221.db2.gz CDQBBJKOQLXMTO-IJLUTSLNSA-N 1 0 225.332 1.258 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713185652 712453867 /nfs/dbraw/zinc/45/38/67/712453867.db2.gz QKGOURCPTRTGED-SVDPJWKOSA-N 1 0 210.321 1.275 10 0 BDAERO CCn1cncc1C[NH2+]C1CC(COC)C1 ZINC000713915823 712472769 /nfs/dbraw/zinc/47/27/69/712472769.db2.gz HDYUDRDKBOJUDE-UHFFFAOYSA-N 1 0 223.320 1.418 10 0 BDAERO CCCCCCNC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713872774 712473219 /nfs/dbraw/zinc/47/32/19/712473219.db2.gz OOOYYENQHYOLIM-WDEREUQCSA-N 1 0 228.336 1.047 10 0 BDAERO COCC1CC([NH2+][C@H](C)c2cn(C)cn2)C1 ZINC000713963751 712475020 /nfs/dbraw/zinc/47/50/20/712475020.db2.gz ZYROLOBGSAHIOH-KPPDAEKUSA-N 1 0 223.320 1.496 10 0 BDAERO [NH3+]C1CC(CNC(=O)/C=C\c2cccs2)C1 ZINC000715093318 712507870 /nfs/dbraw/zinc/50/78/70/712507870.db2.gz ZQTNVXMPULBIBM-ARJAWSKDSA-N 1 0 236.340 1.615 10 0 BDAERO COc1ncc(Cl)c(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715083612 712507427 /nfs/dbraw/zinc/50/74/27/712507427.db2.gz YBFGIVKFXCGRAA-LJGSYFOKSA-N 1 0 242.710 1.288 10 0 BDAERO C[C@@]1(C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)CCCC[NH2+]1 ZINC000715512613 712524252 /nfs/dbraw/zinc/52/42/52/712524252.db2.gz ACSXYIUZTKARQL-NGZCFLSTSA-N 1 0 244.285 1.242 10 0 BDAERO C[C@@H]1C[C@H]1[C@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000716446124 712561432 /nfs/dbraw/zinc/56/14/32/712561432.db2.gz RLBXIJZUXONTSB-PAUJSFGCSA-N 1 0 222.332 1.084 10 0 BDAERO Cc1coc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000718068328 712740615 /nfs/dbraw/zinc/74/06/15/712740615.db2.gz SXSAHWDCPGRBRP-MWLCHTKSSA-N 1 0 222.288 1.345 10 0 BDAERO Cc1coc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000718526496 712770735 /nfs/dbraw/zinc/77/07/35/712770735.db2.gz ARBSOVQFOKESPT-ZJUUUORDSA-N 1 0 222.288 1.255 10 0 BDAERO CO[C@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)CC1 ZINC000718863090 712786507 /nfs/dbraw/zinc/78/65/07/712786507.db2.gz YLMQAGGZQQLVKZ-KPFVRQRISA-N 1 0 227.348 1.695 10 0 BDAERO CC(C)[C@H](C)NC(=O)Cc1csc(C[NH3+])n1 ZINC000719084680 712795896 /nfs/dbraw/zinc/79/58/96/712795896.db2.gz ZKKGOZMMDXXTGL-QMMMGPOBSA-N 1 0 241.360 1.305 10 0 BDAERO C[C@@H]1[C@@H]([NH2+]CCc2ccccc2)CCN1C ZINC000719576779 712811765 /nfs/dbraw/zinc/81/17/65/712811765.db2.gz BNXHRSOMALOOEB-OCCSQVGLSA-N 1 0 218.344 1.911 10 0 BDAERO CCc1nnc(C[NH2+][C@@H](C)C(C)(C)OC)n1C ZINC000720289006 712830327 /nfs/dbraw/zinc/83/03/27/712830327.db2.gz PQZCQVGYXJTPGE-VIFPVBQESA-N 1 0 240.351 1.281 10 0 BDAERO CCO[C@@H]1CCC[C@H]([NH2+]CC2CC(O)C2)C1 ZINC000721170100 712894692 /nfs/dbraw/zinc/89/46/92/712894692.db2.gz XYCICGHHOSTSTO-PYNQCMFNSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2cnn(C)n2)C[C@@H](C)O1 ZINC000724287849 710738411 /nfs/dbraw/zinc/73/84/11/710738411.db2.gz NMZAVGNOJNPUDN-NXEZZACHSA-N 1 0 238.335 1.108 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccns1 ZINC000722746753 710721294 /nfs/dbraw/zinc/72/12/94/710721294.db2.gz ZJSYRXCOBZDPHM-RKDXNWHRSA-N 1 0 239.344 1.272 10 0 BDAERO COC1CC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723651710 710730160 /nfs/dbraw/zinc/73/01/60/710730160.db2.gz OHQPYJJAEHXEJB-LYGKVCMISA-N 1 0 239.359 1.959 10 0 BDAERO Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2C)nc(C)n1 ZINC000723820721 710732655 /nfs/dbraw/zinc/73/26/55/710732655.db2.gz HUYZUESCHGKSLE-KCJUWKMLSA-N 1 0 220.320 1.361 10 0 BDAERO Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2C)ncn1 ZINC000723811034 710733028 /nfs/dbraw/zinc/73/30/28/710733028.db2.gz QIWCDFXCFBSUEM-SCZZXKLOSA-N 1 0 206.293 1.052 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1CCCOC1 ZINC000724006078 710735295 /nfs/dbraw/zinc/73/52/95/710735295.db2.gz JMOYZKLNKJDBBQ-SDDRHHMPSA-N 1 0 240.347 1.060 10 0 BDAERO Cc1cnc(CN[C@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000724073569 710737021 /nfs/dbraw/zinc/73/70/21/710737021.db2.gz PGAGYMCDZMMNLB-CHWSQXEVSA-N 1 0 233.359 1.929 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000380756028 712903055 /nfs/dbraw/zinc/90/30/55/712903055.db2.gz VDQRDYAJIKNPIK-SSDOTTSWSA-N 1 0 227.239 1.517 10 0 BDAERO N#Cc1ccc(NC[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000381258590 710612764 /nfs/dbraw/zinc/61/27/64/710612764.db2.gz QYAUQOBIAPZABC-VHSXEESVSA-N 1 0 216.288 1.493 10 0 BDAERO CCc1nsc(N[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721882749 710690654 /nfs/dbraw/zinc/69/06/54/710690654.db2.gz OJQSENUYTBEPRJ-RNFRBKRXSA-N 1 0 212.322 1.120 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1nccc2occc21 ZINC000721955551 710693805 /nfs/dbraw/zinc/69/38/05/710693805.db2.gz XTLFQOWPGVXPQJ-PSASIEDQSA-N 1 0 217.272 1.848 10 0 BDAERO COC[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CO)C1)C(C)C ZINC000721983122 710695604 /nfs/dbraw/zinc/69/56/04/710695604.db2.gz NFYCTGYPLRZUEH-FRRDWIJNSA-N 1 0 229.364 1.465 10 0 BDAERO COC[C@@H](C[N@@H+]1CC[C@@H](CCO)C1)C(C)C ZINC000721976619 710695686 /nfs/dbraw/zinc/69/56/86/710695686.db2.gz ROGMXZZDYHRIRU-QWHCGFSZSA-N 1 0 229.364 1.609 10 0 BDAERO CCNC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724461465 710741148 /nfs/dbraw/zinc/74/11/48/710741148.db2.gz XDTYQYXHQJKCNW-ILWJIGKKSA-N 1 0 213.325 1.324 10 0 BDAERO CN1C[C@@H](C[NH2+][C@@H]2CCc3cccnc32)CC1=O ZINC000723570725 711518105 /nfs/dbraw/zinc/51/81/05/711518105.db2.gz JORDGJSZZJQLJS-ZYHUDNBSSA-N 1 0 245.326 1.137 10 0 BDAERO COCC1CC([NH2+]Cc2oc(C)nc2C)C1 ZINC000723630891 711527267 /nfs/dbraw/zinc/52/72/67/711527267.db2.gz OYHPIPYAXBTFSM-UHFFFAOYSA-N 1 0 224.304 1.806 10 0 BDAERO CCc1cc(NC[C@@H]2C[NH2+]C[C@H]2C)nc(C)n1 ZINC000723787215 711537255 /nfs/dbraw/zinc/53/72/55/711537255.db2.gz WHVCJUOBYXYEDY-KOLCDFICSA-N 1 0 234.347 1.615 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccnc2cccnc21 ZINC000723827288 711537644 /nfs/dbraw/zinc/53/76/44/711537644.db2.gz XSBSLZAOOWBMGV-MNOVXSKESA-N 1 0 242.326 1.319 10 0 BDAERO Cc1cnc(CN[C@@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000724073876 711559195 /nfs/dbraw/zinc/55/91/95/711559195.db2.gz QPTHYTNFYIKCEM-STQMWFEESA-N 1 0 233.359 1.786 10 0 BDAERO CC(C)CNC(=[NH2+])NCC1C[C@@H](C)O[C@H](C)C1 ZINC000724486782 711584454 /nfs/dbraw/zinc/58/44/54/711584454.db2.gz WTBFQVLGKWXGOW-GHMZBOCLSA-N 1 0 241.379 1.960 10 0 BDAERO Cc1nc2ccccc2nc1N(C)C[C@H](C)[NH3+] ZINC000111375792 711588016 /nfs/dbraw/zinc/58/80/16/711588016.db2.gz QHHLNMZBIIOZDD-VIFPVBQESA-N 1 0 230.315 1.722 10 0 BDAERO CN(c1ccc(F)cn1)C1(C[NH3+])CCOCC1 ZINC000725020302 711643671 /nfs/dbraw/zinc/64/36/71/711643671.db2.gz BURJNWGNTVVENX-UHFFFAOYSA-N 1 0 239.294 1.165 10 0 BDAERO Cc1nnc2c(NCCCCCC[NH3+])nccn12 ZINC000235819948 711668992 /nfs/dbraw/zinc/66/89/92/711668992.db2.gz IVMUUPURVDXFHD-UHFFFAOYSA-N 1 0 248.334 1.364 10 0 BDAERO CCCn1cc(NC2CC[NH2+]CC2)cn1 ZINC000722365577 711749941 /nfs/dbraw/zinc/74/99/41/711749941.db2.gz SNJLBSQVCISUDR-UHFFFAOYSA-N 1 0 208.309 1.457 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@@H](O)c1ccccc1 ZINC000227706670 711832608 /nfs/dbraw/zinc/83/26/08/711832608.db2.gz MKMGCTFOKZBPPB-QWHCGFSZSA-N 1 0 220.316 1.143 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](CCSC)C[C@@H]1C ZINC000228275480 711834452 /nfs/dbraw/zinc/83/44/52/711834452.db2.gz ASLUIKSDTZQPKQ-DTWKUNHWSA-N 1 0 217.334 1.090 10 0 BDAERO CCOc1nccnc1N[C@@H]1C[NH2+]CC1(C)C ZINC000721977362 711856048 /nfs/dbraw/zinc/85/60/48/711856048.db2.gz SRQQSAIDSRDEOK-SECBINFHSA-N 1 0 236.319 1.285 10 0 BDAERO CCOc1nccnc1N[C@H]1C[NH2+]CC1(C)C ZINC000721977364 711856095 /nfs/dbraw/zinc/85/60/95/711856095.db2.gz SRQQSAIDSRDEOK-VIFPVBQESA-N 1 0 236.319 1.285 10 0 BDAERO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000700011289 711983040 /nfs/dbraw/zinc/98/30/40/711983040.db2.gz GHYTVTVFQJJXII-GMTAPVOTSA-N 1 0 224.348 1.394 10 0 BDAERO CC(C)(C)Cc1noc([C@@H]2C[NH2+]CCOC2)n1 ZINC000700380511 711990392 /nfs/dbraw/zinc/99/03/92/711990392.db2.gz FRJIVGZLEIFLCL-SECBINFHSA-N 1 0 239.319 1.362 10 0 BDAERO C1CC12C[C@@H]2c1noc([C@@H]2C[NH2+]CCOC2)n1 ZINC000700371454 711990885 /nfs/dbraw/zinc/99/08/85/711990885.db2.gz RLIACHAESNNZLZ-RKDXNWHRSA-N 1 0 235.287 1.041 10 0 BDAERO [NH3+]Cc1nc(-c2nc([C@H]3CC34CC4)no2)cs1 ZINC000700442886 711994078 /nfs/dbraw/zinc/99/40/78/711994078.db2.gz MRLHNSQQSKPTAZ-ZCFIWIBFSA-N 1 0 248.311 1.919 10 0 BDAERO C(c1nc([C@@H]2CC23CC3)no1)C1CC[NH2+]CC1 ZINC000700539229 711996722 /nfs/dbraw/zinc/99/67/22/711996722.db2.gz FMDJCANVYAHTEL-JTQLQIEISA-N 1 0 233.315 1.879 10 0 BDAERO CCCCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000700528825 711996738 /nfs/dbraw/zinc/99/67/38/711996738.db2.gz RKXFRBASAACDLN-VXGBXAGGSA-N 1 0 242.363 1.307 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\c1ccccc1F ZINC000700751261 712004374 /nfs/dbraw/zinc/00/43/74/712004374.db2.gz CQKRYAHYBJOOQP-KMZNDYGISA-N 1 0 248.301 1.787 10 0 BDAERO CCCCSCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000701007329 712011572 /nfs/dbraw/zinc/01/15/72/712011572.db2.gz MKXLPOVRISQSFT-NSHDSACASA-N 1 0 244.404 1.860 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccc(Cl)n2)C[C@@H]1[NH3+] ZINC000701102385 712014747 /nfs/dbraw/zinc/01/47/47/712014747.db2.gz VTWBSLXZQXIHIA-SFYZADRCSA-N 1 0 239.706 1.154 10 0 BDAERO C[C@@H](CC(=O)NCC1CC([NH3+])C1)C(F)(F)F ZINC000705451776 712132213 /nfs/dbraw/zinc/13/22/13/712132213.db2.gz SBYZUVCJCVNULD-KKMMWDRVSA-N 1 0 238.253 1.428 10 0 BDAERO CC[C@](C)(O)C[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000705669933 712135107 /nfs/dbraw/zinc/13/51/07/712135107.db2.gz MXFNYIXEAQFTPJ-IHRRRGAJSA-N 1 0 240.391 1.421 10 0 BDAERO Cc1cc(-c2cnn(CCC[NH3+])c2)co1 ZINC000706316333 712143306 /nfs/dbraw/zinc/14/33/06/712143306.db2.gz VDUJSMYTYLUWKV-UHFFFAOYSA-N 1 0 205.261 1.800 10 0 BDAERO CSC1CC([NH2+]C2CCS(=O)CC2)C1 ZINC000706745182 712153955 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223.316 1.860 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2CO[C@H](C[NH3+])C2)c1 ZINC000713798436 712472271 /nfs/dbraw/zinc/47/22/71/712472271.db2.gz XVJJNNGUMCEUIV-PWSUYJOCSA-N 1 0 234.299 1.297 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)c1 ZINC000713798438 712472442 /nfs/dbraw/zinc/47/24/42/712472442.db2.gz XVJJNNGUMCEUIV-ZYHUDNBSSA-N 1 0 234.299 1.297 10 0 BDAERO Cc1ccc(C)c(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)c1 ZINC000713782601 712472629 /nfs/dbraw/zinc/47/26/29/712472629.db2.gz OUTHVKQNBBWGSX-VXGBXAGGSA-N 1 0 248.326 1.606 10 0 BDAERO [NH3+]C[C@H]1C[C@@H](C(=O)Nc2ccccc2F)CO1 ZINC000713806942 712472923 /nfs/dbraw/zinc/47/29/23/712472923.db2.gz WHJLQVGXNZXSBN-RKDXNWHRSA-N 1 0 238.262 1.128 10 0 BDAERO CC(C)CC[C@H](C)NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713806977 712473012 /nfs/dbraw/zinc/47/30/12/712473012.db2.gz XBGWIWRUOZJXGK-SRVKXCTJSA-N 1 0 242.363 1.291 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000713926326 712473441 /nfs/dbraw/zinc/47/34/41/712473441.db2.gz 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Cc1n[nH]c(C[NH2+][C@H](C)[C@@H]2CCCO2)c1C ZINC000716446848 712561589 /nfs/dbraw/zinc/56/15/89/712561589.db2.gz MDPJPVKRKZGZMQ-PWSUYJOCSA-N 1 0 223.320 1.684 10 0 BDAERO CC[C@@H]([NH2+]C1CC(C(N)=O)C1)C1CCC1 ZINC000716683265 712569789 /nfs/dbraw/zinc/56/97/89/712569789.db2.gz IYUAKFZJBMRJQN-VQXHTEKXSA-N 1 0 210.321 1.419 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2sccc2Cl)C1 ZINC000716688330 712570464 /nfs/dbraw/zinc/57/04/64/712570464.db2.gz WDQVCQYPNQVCCQ-UHFFFAOYSA-N 1 0 244.747 1.755 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000716721249 712570673 /nfs/dbraw/zinc/57/06/73/712570673.db2.gz APLMHIFXMBANBS-UHFFFAOYSA-N 1 0 244.338 1.918 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000716733317 712571419 /nfs/dbraw/zinc/57/14/19/712571419.db2.gz ZYPXFFGKKJALDA-VQXHTEKXSA-N 1 0 222.332 1.563 10 0 BDAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC(C(N)=O)C2)o1 ZINC000716732466 712571553 /nfs/dbraw/zinc/57/15/53/712571553.db2.gz UIIAIEKEUWWEEN-ANONENCNSA-N 1 0 248.326 1.757 10 0 BDAERO 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CC(C)[C@H](C)NC(=O)CC[NH2+]CC1CC1 ZINC000717241971 712641409 /nfs/dbraw/zinc/64/14/09/712641409.db2.gz FMLHOLWTTHEMKT-JTQLQIEISA-N 1 0 212.337 1.537 10 0 BDAERO C[C@@H](O)[C@@H](O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000717396158 712654130 /nfs/dbraw/zinc/65/41/30/712654130.db2.gz OEPYXQOHTBBGIB-ZOSDIUFLSA-N 1 0 239.359 1.142 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717626905 712661726 /nfs/dbraw/zinc/66/17/26/712661726.db2.gz ROODHOVSLDWGTQ-NXEZZACHSA-N 1 0 228.336 1.045 10 0 BDAERO COC(C[NH2+]C1(C2CCC2)CCC1)OC ZINC000717829608 712682299 /nfs/dbraw/zinc/68/22/99/712682299.db2.gz NXXUHKZQVOIEBH-UHFFFAOYSA-N 1 0 213.321 1.918 10 0 BDAERO CC(C)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC000380062925 712684445 /nfs/dbraw/zinc/68/44/45/712684445.db2.gz HGSQWBCXSGDOAO-QWRGUYRKSA-N 1 0 210.321 1.053 10 0 BDAERO C[C@H]1CN(CCCC(C)(F)F)C[C@H]1[NH3+] ZINC000718721126 712778699 /nfs/dbraw/zinc/77/86/99/712778699.db2.gz DWNKIRZZNRWFIH-DTWKUNHWSA-N 1 0 206.280 1.701 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000718757484 712780093 /nfs/dbraw/zinc/78/00/93/712780093.db2.gz AQRCIRZSSCMDEY-WHOHXGKFSA-N 1 0 215.337 1.693 10 0 BDAERO c1cnc2nccc(N[C@H]3CCC[NH2+]C3)c2c1 ZINC000718931646 712788596 /nfs/dbraw/zinc/78/85/96/712788596.db2.gz ZUSBVHPUNUCLNX-JTQLQIEISA-N 1 0 228.299 1.794 10 0 BDAERO C[C@@H]1CN(c2ccnc3ncccc32)[C@@H](C)C[NH2+]1 ZINC000718981490 712791263 /nfs/dbraw/zinc/79/12/63/712791263.db2.gz KFKGTFYIDONFOI-MNOVXSKESA-N 1 0 242.326 1.816 10 0 BDAERO c1cnc2nccc(NC[C@@H]3C[NH2+]CCO3)c2c1 ZINC000718982370 712791527 /nfs/dbraw/zinc/79/15/27/712791527.db2.gz QYVHOABWNRPMNN-JTQLQIEISA-N 1 0 244.298 1.030 10 0 BDAERO C[C@H]([NH3+])CCNc1ccnc2ncccc12 ZINC000718984966 712791605 /nfs/dbraw/zinc/79/16/05/712791605.db2.gz HTOSSPPCXZVVJU-VIFPVBQESA-N 1 0 216.288 1.779 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ccnc3ncccc23)C1 ZINC000718982402 712791834 /nfs/dbraw/zinc/79/18/34/712791834.db2.gz SUBNLNQLRQUJKZ-NSHDSACASA-N 1 0 242.326 1.676 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1ccnc2ncccc12 ZINC000718982419 712791856 /nfs/dbraw/zinc/79/18/56/712791856.db2.gz VDUVLEXOMHPXLV-LLVKDONJSA-N 1 0 242.326 1.818 10 0 BDAERO C[C@@H]1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCN1C ZINC000719650587 712820604 /nfs/dbraw/zinc/82/06/04/712820604.db2.gz YVIVEGHKEYCZMS-NZEXEKPDSA-N 1 0 238.375 1.482 10 0 BDAERO C[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1CO ZINC000719869663 712824508 /nfs/dbraw/zinc/82/45/08/712824508.db2.gz FCDCAECFINHRIN-ZJUUUORDSA-N 1 0 226.345 1.246 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1(C)CC(F)(F)C1 ZINC000720477649 712845952 /nfs/dbraw/zinc/84/59/52/712845952.db2.gz XBXQPXGXEIUGFJ-RKDXNWHRSA-N 1 0 246.301 1.679 10 0 BDAERO C[C@H](C(=O)N1CCCC[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000720520488 712848291 /nfs/dbraw/zinc/84/82/91/712848291.db2.gz CJYRFPKDQQXUOM-SDDRHHMPSA-N 1 0 240.347 1.141 10 0 BDAERO C[NH2+]CCc1noc([C@H](C)[C@H]2CCCO2)n1 ZINC000720608642 712858544 /nfs/dbraw/zinc/85/85/44/712858544.db2.gz JTCLXNANGOYPOI-RKDXNWHRSA-N 1 0 225.292 1.114 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@H](C)[C@@H]2CCCO2)n1 ZINC000720613507 712859084 /nfs/dbraw/zinc/85/90/84/712859084.db2.gz WHXMTDRXSQTYQB-HLTSFMKQSA-N 1 0 225.292 1.414 10 0 BDAERO O=C(N[C@H]1C=CCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000720676464 712861462 /nfs/dbraw/zinc/86/14/62/712861462.db2.gz SBSBSQYFQKJYMN-DJLDLDEBSA-N 1 0 248.248 1.219 10 0 BDAERO C[C@H]1Cc2cc(C[NH2+]C3CC(CO)C3)ccc2O1 ZINC000720735401 712863166 /nfs/dbraw/zinc/86/31/66/712863166.db2.gz KXPCNNHWDFVEDM-JKDOVBDQSA-N 1 0 247.338 1.871 10 0 BDAERO C[NH2+]CCN(c1cccc(C)n1)C(C)C ZINC000720789884 712865990 /nfs/dbraw/zinc/86/59/90/712865990.db2.gz AONVLSASUMMNEO-UHFFFAOYSA-N 1 0 207.321 1.824 10 0 BDAERO C[NH2+]CCN(c1cn[nH]c(=O)c1Cl)C(C)C ZINC000720799192 712866538 /nfs/dbraw/zinc/86/65/38/712866538.db2.gz MGYDFRMLBLXRFI-UHFFFAOYSA-N 1 0 244.726 1.270 10 0 BDAERO C[NH2+]CCN(c1nc(C)cc(C)n1)C(C)C ZINC000720799059 712866663 /nfs/dbraw/zinc/86/66/63/712866663.db2.gz KOMAIGNMABZYFC-UHFFFAOYSA-N 1 0 222.336 1.528 10 0 BDAERO Cn1c2ccccc2nc1N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720827675 712868673 /nfs/dbraw/zinc/86/86/73/712868673.db2.gz PTRNCWCAXNLFBQ-GFCCVEGCSA-N 1 0 244.342 1.747 10 0 BDAERO CC(C)[C@H](C)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720880689 712873739 /nfs/dbraw/zinc/87/37/39/712873739.db2.gz SDFNPIPWBLMACQ-DJLDLDEBSA-N 1 0 224.270 1.852 10 0 BDAERO CC(C)(C[NH3+])Cc1nc(Cc2ccncc2)no1 ZINC000720885445 712874544 /nfs/dbraw/zinc/87/45/44/712874544.db2.gz NERRXJMINKPOLL-UHFFFAOYSA-N 1 0 246.314 1.583 10 0 BDAERO Cc1nccc(N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)n1 ZINC000720894842 712876421 /nfs/dbraw/zinc/87/64/21/712876421.db2.gz VCQICJFGIQJMDJ-HTQZYQBOSA-N 1 0 246.236 1.111 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720964276 712883877 /nfs/dbraw/zinc/88/38/77/712883877.db2.gz RGDCVABIJYQHHO-VLEAKVRGSA-N 1 0 210.321 1.003 10 0 BDAERO C[NH2+]C[C@H](C)c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000721055266 712888622 /nfs/dbraw/zinc/88/86/22/712888622.db2.gz WSMZETDOYQPMFW-QEYWKRMJSA-N 1 0 221.304 1.906 10 0 BDAERO c1ccc2c(c1)C[NH2+][C@@H](CNc1cnccn1)C2 ZINC000721087449 712890490 /nfs/dbraw/zinc/89/04/90/712890490.db2.gz DMZVLSNQMFLTOP-CYBMUJFWSA-N 1 0 240.310 1.603 10 0 BDAERO Cc1nnc(NCC[C@@H]2C[NH2+]C[C@H]2C)nc1C ZINC000721103702 712890728 /nfs/dbraw/zinc/89/07/28/712890728.db2.gz RUHHYJXYPGRYTF-LDYMZIIASA-N 1 0 235.335 1.146 10 0 BDAERO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C(C)=O)C2)C1 ZINC000721122504 712891511 /nfs/dbraw/zinc/89/15/11/712891511.db2.gz YGJPGPBIOQCLLJ-RWMBFGLXSA-N 1 0 225.332 1.712 10 0 BDAERO CC[NH+](CC)CCC[NH2+][C@H](C(=O)[O-])C(C)(C)C ZINC000395591800 972808739 /nfs/dbraw/zinc/80/87/39/972808739.db2.gz LPWCQPTUOMJNEU-LLVKDONJSA-N 1 0 244.379 1.807 10 0 BDAERO CC[NH+]1CCC([NH2+]CCC(C)(C)C(=O)[O-])CC1 ZINC000396012274 972845330 /nfs/dbraw/zinc/84/53/30/972845330.db2.gz FRUGLPITCYAKDQ-UHFFFAOYSA-N 1 0 242.363 1.561 10 0 BDAERO CC(C)C[C@H](C(=O)[O-])[NH+]1CCC([NH+](C)C)CC1 ZINC000695097983 976777703 /nfs/dbraw/zinc/77/77/03/976777703.db2.gz NUWZQXPHRWAVDE-GFCCVEGCSA-N 1 0 242.363 1.512 10 0 BDAERO Cc1cc(C)cc(OC[C@@](C)(O)C[NH3+])c1 ZINC000019668033 177911883 /nfs/dbraw/zinc/91/18/83/177911883.db2.gz ILRGFNNJGKZHJY-LBPRGKRZSA-N 1 0 209.289 1.392 10 0 BDAERO CCCN1CCC(=O)[C@]12C[NH+]1CCC2CC1 ZINC000685953967 538898970 /nfs/dbraw/zinc/89/89/70/538898970.db2.gz JWHPQYDKZVLEGI-CYBMUJFWSA-N 1 0 222.332 1.136 10 0 BDAERO CC[NH2+][C@@H]1CC[C@H](S(C)(=O)=O)[C@@H](C)C1 ZINC000685954483 538899367 /nfs/dbraw/zinc/89/93/67/538899367.db2.gz NKHYPMQWJFMGOF-AEJSXWLSSA-N 1 0 219.350 1.198 10 0 BDAERO CCCS(=O)(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000685954133 538899380 /nfs/dbraw/zinc/89/93/80/538899380.db2.gz LIKXDRSXLHVKGI-ZJUUUORDSA-N 1 0 219.350 1.329 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000685954888 538899595 /nfs/dbraw/zinc/89/95/95/538899595.db2.gz QEUBSBZCUKVLKB-OPRDCNLKSA-N 1 0 219.350 1.185 10 0 BDAERO CC1(C)CC[C@H](C[NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000685955264 538900704 /nfs/dbraw/zinc/90/07/04/538900704.db2.gz WZDWFAONTRTPIB-BDAKNGLRSA-N 1 0 219.350 1.185 10 0 BDAERO C[C@H](OCC(F)(F)C[NH3+])C(F)(F)F ZINC000685955676 538901314 /nfs/dbraw/zinc/90/13/14/538901314.db2.gz NXEKFJFXFBNGTM-BYPYZUCNSA-N 1 0 207.142 1.548 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](N)C12CCC(=O)CC2 ZINC000685955411 538901430 /nfs/dbraw/zinc/90/14/30/538901430.db2.gz ZDFKLCUNXHOMCM-NSHDSACASA-N 1 0 210.321 1.310 10 0 BDAERO CNCC(F)(F)CN1C[C@@H]2CCC[C@@H]21 ZINC000685956874 538901779 /nfs/dbraw/zinc/90/17/79/538901779.db2.gz LWJJRQKCNJPDMK-IUCAKERBSA-N 1 0 204.264 1.325 10 0 BDAERO [NH3+]Cc1cnc(C(Cl)(Cl)Cl)nc1 ZINC000685956178 538902439 /nfs/dbraw/zinc/90/24/39/538902439.db2.gz MYZSPSJSIJOLHG-UHFFFAOYSA-N 1 0 226.494 1.762 10 0 BDAERO Cc1c(Cl)cnn1CC(F)(F)C[NH3+] ZINC000685956728 538903136 /nfs/dbraw/zinc/90/31/36/538903136.db2.gz ICOLLHTVWREUOU-UHFFFAOYSA-N 1 0 209.627 1.439 10 0 BDAERO NCC(F)(F)CN1C[C@H]2CCCC[C@H]21 ZINC000685957636 538904742 /nfs/dbraw/zinc/90/47/42/538904742.db2.gz WDLATWCSHMOHHX-RKDXNWHRSA-N 1 0 204.264 1.455 10 0 BDAERO OC[C@H](CC[NH2+]C1CCC1)[C@@H]1CCCOC1 ZINC000685963242 538908087 /nfs/dbraw/zinc/90/80/87/538908087.db2.gz KBEXDZRCXBVNDB-NWDGAFQWSA-N 1 0 227.348 1.554 10 0 BDAERO OC[C@H](CC[NH2+]C1CCC1)[C@H]1CCCOC1 ZINC000685963243 538908265 /nfs/dbraw/zinc/90/82/65/538908265.db2.gz KBEXDZRCXBVNDB-RYUDHWBXSA-N 1 0 227.348 1.554 10 0 BDAERO CCCC[NH2+]CC[C@H](CO)C1CCOCC1 ZINC000685962932 538909865 /nfs/dbraw/zinc/90/98/65/538909865.db2.gz APBOQJCNHYNKJW-CYBMUJFWSA-N 1 0 229.364 1.801 10 0 BDAERO CN1CCC(=O)C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000685952609 538896545 /nfs/dbraw/zinc/89/65/45/538896545.db2.gz AXMMIKNMDAJRSG-UHFFFAOYSA-N 1 0 224.348 1.570 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](S(C)(=O)=O)C[C@@H]1C ZINC000685952709 538896859 /nfs/dbraw/zinc/89/68/59/538896859.db2.gz CNDNTJQIBXNMSX-IVZWLZJFSA-N 1 0 219.350 1.198 10 0 BDAERO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1[C@@H](C)[NH3+] ZINC000072415714 177935386 /nfs/dbraw/zinc/93/53/86/177935386.db2.gz JCIBAGKWYBRFFH-SECBINFHSA-N 1 0 245.330 1.916 10 0 BDAERO Cc1cnccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000385220947 398141129 /nfs/dbraw/zinc/14/11/29/398141129.db2.gz ROXHFIBTOKAURY-QWHCGFSZSA-N 1 0 220.316 1.783 10 0 BDAERO Cc1cc(C)nc(NC(=O)C2CC[NH2+]CC2)n1 ZINC000019814092 177938911 /nfs/dbraw/zinc/93/89/11/177938911.db2.gz KQTKVGGNHMUQRZ-UHFFFAOYSA-N 1 0 234.303 1.032 10 0 BDAERO CC(C)C[NH2+]CC[C@H](CO)[C@H]1CCOC1 ZINC000685963886 538910724 /nfs/dbraw/zinc/91/07/24/538910724.db2.gz ZGRWESLTUNBCSR-NEPJUHHUSA-N 1 0 215.337 1.267 10 0 BDAERO CC(C)C[NH2+]CC[C@@H](CO)[C@H]1CCOC1 ZINC000685963888 538910824 /nfs/dbraw/zinc/91/08/24/538910824.db2.gz ZGRWESLTUNBCSR-RYUDHWBXSA-N 1 0 215.337 1.267 10 0 BDAERO COc1cc(F)cc([C@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965407 538911740 /nfs/dbraw/zinc/91/17/40/538911740.db2.gz CNGIMDZQZDIPOE-NEPJUHHUSA-N 1 0 224.279 1.239 10 0 BDAERO Cc1cc(F)ccc1[C@H]1C[NH2+]C[C@]1(C)N ZINC000685965376 538911831 /nfs/dbraw/zinc/91/18/31/538911831.db2.gz BTSFVHGSEUQMQC-NEPJUHHUSA-N 1 0 208.280 1.538 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000685965421 538911932 /nfs/dbraw/zinc/91/19/32/538911932.db2.gz CWYYCDSGKSLAQA-QWRGUYRKSA-N 1 0 210.708 1.744 10 0 BDAERO COc1cc([C@@H]2C[NH2+]C[C@@]2(C)N)ccc1C ZINC000685965766 538912194 /nfs/dbraw/zinc/91/21/94/538912194.db2.gz RWCHAXDFIHVMBG-WCQYABFASA-N 1 0 220.316 1.408 10 0 BDAERO COc1cc([C@@H]2C[NH2+]C[C@]2(C)N)ccc1C ZINC000685965764 538912428 /nfs/dbraw/zinc/91/24/28/538912428.db2.gz RWCHAXDFIHVMBG-AAEUAGOBSA-N 1 0 220.316 1.408 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000685965818 538912589 /nfs/dbraw/zinc/91/25/89/538912589.db2.gz UTEJZFGBFHCLAU-NEPJUHHUSA-N 1 0 206.289 1.099 10 0 BDAERO [NH3+]C1(c2ccc(F)c(Cl)c2)CC(O)C1 ZINC000675058548 538916532 /nfs/dbraw/zinc/91/65/32/538916532.db2.gz LIOXAYZJSIIBQJ-UHFFFAOYSA-N 1 0 215.655 1.788 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCN2CCCCC2)C1 ZINC000161605697 349484873 /nfs/dbraw/zinc/48/48/73/349484873.db2.gz ILZOJHIISOPOAK-ZDUSSCGKSA-N 1 0 226.364 1.177 10 0 BDAERO CCC(CC)C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000037470105 168332849 /nfs/dbraw/zinc/33/28/49/168332849.db2.gz OBFXCSHVDZNHQO-LLVKDONJSA-N 1 0 212.337 1.633 10 0 BDAERO [NH3+]CC[C@H]1CCN(CCO)c2ccccc21 ZINC000616588578 349499801 /nfs/dbraw/zinc/49/98/01/349499801.db2.gz BMVLBXWKMUAARL-NSHDSACASA-N 1 0 220.316 1.321 10 0 BDAERO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(C)s1 ZINC000184006387 178006004 /nfs/dbraw/zinc/00/60/04/178006004.db2.gz OFWZKUQKJAUESK-NEPJUHHUSA-N 1 0 241.356 1.292 10 0 BDAERO Cc1cc(C[NH2+]C(C)(C)C(N)=O)ccc1F ZINC000050545642 178017151 /nfs/dbraw/zinc/01/71/51/178017151.db2.gz WHWJSRPPPJVXPU-UHFFFAOYSA-N 1 0 224.279 1.488 10 0 BDAERO Cc1cc(C[NH2+]C[C@H]2CCCO2)ccc1N ZINC000040410369 178025045 /nfs/dbraw/zinc/02/50/45/178025045.db2.gz TXTCESQRJMEGGF-GFCCVEGCSA-N 1 0 220.316 1.846 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)no1 ZINC000044724802 178032967 /nfs/dbraw/zinc/03/29/67/178032967.db2.gz CATJESTXUAZGPC-MNOVXSKESA-N 1 0 210.277 1.376 10 0 BDAERO [NH3+]Cc1cnc(N2CC[C@@H](F)C2)s1 ZINC000575517158 398174078 /nfs/dbraw/zinc/17/40/78/398174078.db2.gz GUMCUJPORNEWQM-ZCFIWIBFSA-N 1 0 201.270 1.150 10 0 BDAERO Cc1nn(C)cc1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000306713316 398183873 /nfs/dbraw/zinc/18/38/73/398183873.db2.gz VGMRQXCJXMVDDN-BDAKNGLRSA-N 1 0 207.277 1.039 10 0 BDAERO Cc1cc(C[C@H](C)[NH3+])nc(-c2ccco2)n1 ZINC000054835049 178056973 /nfs/dbraw/zinc/05/69/73/178056973.db2.gz SWTBKCVYUAFFIP-QMMMGPOBSA-N 1 0 217.272 1.935 10 0 BDAERO C[C@@H]1CN[C@](C)([C@@H]2CCC[NH2+]2)SC1 ZINC000307397151 398160796 /nfs/dbraw/zinc/16/07/96/398160796.db2.gz URURUVSMAJMVIQ-UTLUCORTSA-N 1 0 200.351 1.427 10 0 BDAERO Cc1cc(Cl)cc(C)c1OC[C@@H](O)C[NH3+] ZINC000022165104 178063865 /nfs/dbraw/zinc/06/38/65/178063865.db2.gz PCHMVUJLISPURT-JTQLQIEISA-N 1 0 229.707 1.655 10 0 BDAERO Cc1cc(Cl)nc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000095068935 178071871 /nfs/dbraw/zinc/07/18/71/178071871.db2.gz CXZBZHAGEPKWES-SECBINFHSA-N 1 0 240.738 1.850 10 0 BDAERO CO[C@](C)(C[N@@H+]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000380192893 398189156 /nfs/dbraw/zinc/18/91/56/398189156.db2.gz QAHNWKQMRWYGEE-ZIAGYGMSSA-N 1 0 238.375 1.582 10 0 BDAERO Cc1cc(F)ccc1[C@](O)(C[NH3+])C(F)(F)F ZINC000062784432 178091676 /nfs/dbraw/zinc/09/16/76/178091676.db2.gz PUDKKLSSQDTHNF-SECBINFHSA-N 1 0 237.196 1.843 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NCC[C@@H]1CCCO1 ZINC000380224462 398191654 /nfs/dbraw/zinc/19/16/54/398191654.db2.gz NOJSMABJKUDBMC-NEPJUHHUSA-N 1 0 240.347 1.204 10 0 BDAERO Cc1cc(F)ccc1[C@@H]([NH2+]C1CC1)C(N)=O ZINC000050579722 178092335 /nfs/dbraw/zinc/09/23/35/178092335.db2.gz ZJDBOJITEUVNQL-LLVKDONJSA-N 1 0 222.263 1.413 10 0 BDAERO Cc1n[nH]c(C)c1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000120981797 398201493 /nfs/dbraw/zinc/20/14/93/398201493.db2.gz WKRFOJKONOMNFD-GFCCVEGCSA-N 1 0 236.363 1.410 10 0 BDAERO Cc1cc(N2CC[C@H]([NH3+])C2)cnc1Cl ZINC000000026490 178119324 /nfs/dbraw/zinc/11/93/24/178119324.db2.gz SDWSIXWUAINCRE-QMMMGPOBSA-N 1 0 211.696 1.581 10 0 BDAERO CC(C)CCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336750915 398203126 /nfs/dbraw/zinc/20/31/26/398203126.db2.gz GAUCQMZJFNCGFI-MNOVXSKESA-N 1 0 212.337 1.679 10 0 BDAERO C[C@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000638892550 398203808 /nfs/dbraw/zinc/20/38/08/398203808.db2.gz JEXIUWWEUUTZQN-AAEUAGOBSA-N 1 0 247.342 1.067 10 0 BDAERO C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)C1CC1 ZINC000175306269 365542678 /nfs/dbraw/zinc/54/26/78/365542678.db2.gz LJGDCJPFJIXTKS-ONGXEEELSA-N 1 0 210.321 1.195 10 0 BDAERO C[C@H](C[NH3+])NC(=O)c1ccoc1Br ZINC000235446038 343983463 /nfs/dbraw/zinc/98/34/63/343983463.db2.gz VLJIBMUABAPHOL-RXMQYKEDSA-N 1 0 247.092 1.119 10 0 BDAERO CCC[C@H](C)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336753947 398209024 /nfs/dbraw/zinc/20/90/24/398209024.db2.gz HDSMOBHUPOWPSI-HBNTYKKESA-N 1 0 212.337 1.679 10 0 BDAERO Cc1cc(NC(=O)[C@@H]([NH3+])C(C)(C)C)on1 ZINC000040457936 178143047 /nfs/dbraw/zinc/14/30/47/178143047.db2.gz YACXXJPTYBZUOO-MRVPVSSYSA-N 1 0 211.265 1.295 10 0 BDAERO Cc1cc(NC(=O)[C@@H]([NH3+])C(C)(C)C)no1 ZINC000040457925 178143234 /nfs/dbraw/zinc/14/32/34/178143234.db2.gz VJVQZWIAGINYOZ-MRVPVSSYSA-N 1 0 211.265 1.295 10 0 BDAERO [NH3+]CCN1CC[C@H](c2ccc3ccncc3c2)C1 ZINC000616612388 349517754 /nfs/dbraw/zinc/51/77/54/349517754.db2.gz NTNPMNWFRFUGPK-AWEZNQCLSA-N 1 0 241.338 1.983 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)no1 ZINC000070502647 178147491 /nfs/dbraw/zinc/14/74/91/178147491.db2.gz ZWFWTILAZLTYIE-IUCAKERBSA-N 1 0 223.276 1.439 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)n(C)n1 ZINC000019429099 178148231 /nfs/dbraw/zinc/14/82/31/178148231.db2.gz SOTQODRBQVPGET-PSASIEDQSA-N 1 0 236.319 1.198 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2)C1(C)C ZINC000336894357 398217980 /nfs/dbraw/zinc/21/79/80/398217980.db2.gz LVPKOAAGURNIRL-RWMBFGLXSA-N 1 0 240.391 1.874 10 0 BDAERO [NH3+]C[C@H]1CN(c2ccc(F)cc2F)C(=O)O1 ZINC000019669210 538927217 /nfs/dbraw/zinc/92/72/17/538927217.db2.gz LWLZLKBJZQAVFW-ZETCQYMHSA-N 1 0 228.198 1.249 10 0 BDAERO Cc1cc(NC2(C[NH3+])CCCC2)n2ncnc2n1 ZINC000111822954 178153499 /nfs/dbraw/zinc/15/34/99/178153499.db2.gz HOEFFSUUGQVZAT-UHFFFAOYSA-N 1 0 246.318 1.116 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1=CCCOC1 ZINC000093437623 343984922 /nfs/dbraw/zinc/98/49/22/343984922.db2.gz XGUVIXMGNXMRRW-TZMCWYRMSA-N 1 0 236.359 1.502 10 0 BDAERO Cc1ocnc1C[NH2+][C@H]1CSC[C@@H]1C ZINC000306564384 398211212 /nfs/dbraw/zinc/21/12/12/398211212.db2.gz QKARXOMGJIBKFH-XVKPBYJWSA-N 1 0 212.318 1.824 10 0 BDAERO Cc1cc(NC[C@@H]2CCCC[NH2+]2)nc(Cl)n1 ZINC000095068969 178164578 /nfs/dbraw/zinc/16/45/78/178164578.db2.gz KSMINBGYGNRDAT-VIFPVBQESA-N 1 0 240.738 1.992 10 0 BDAERO CC(C)C[NH2+]C[C@@H](O)C(Cl)(Cl)Cl ZINC000163695024 538930035 /nfs/dbraw/zinc/93/00/35/538930035.db2.gz HWCJNYBAGYWLDJ-ZCFIWIBFSA-N 1 0 234.554 1.963 10 0 BDAERO C[N@@H+]1CCC[C@H]1Cn1cnc2c1CCCC2 ZINC000386867966 398221202 /nfs/dbraw/zinc/22/12/02/398221202.db2.gz KJWXMHQOPDLOSX-NSHDSACASA-N 1 0 219.332 1.856 10 0 BDAERO Cc1cc(N[C@@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000104312909 178180975 /nfs/dbraw/zinc/18/09/75/178180975.db2.gz UWSWQZGZYSKDAF-CYBMUJFWSA-N 1 0 242.326 1.767 10 0 BDAERO CCC[C@H](C[NH3+])[C@@H](O)CCSCC ZINC000164113896 538931258 /nfs/dbraw/zinc/93/12/58/538931258.db2.gz KEJPRYMXDNMBAL-ZJUUUORDSA-N 1 0 205.367 1.866 10 0 BDAERO C[C@@H](NC(=[NH2+])NC1CC1)c1nccs1 ZINC000070733229 361745860 /nfs/dbraw/zinc/74/58/60/361745860.db2.gz YFBCKOURQKMEAG-ZCFIWIBFSA-N 1 0 210.306 1.480 10 0 BDAERO COC1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000164243390 538931847 /nfs/dbraw/zinc/93/18/47/538931847.db2.gz FHKBAGWMIPCNKE-QBHFIFKDSA-N 1 0 227.348 1.837 10 0 BDAERO C[NH2+]C[C@H](C)N1CCSCC[C@@H]1C ZINC000306641084 361749270 /nfs/dbraw/zinc/74/92/70/361749270.db2.gz PZYYIHMONDYMBE-UWVGGRQHSA-N 1 0 202.367 1.422 10 0 BDAERO Cc1cc(OCC[C@H]2CC[NH2+]C2)ncn1 ZINC000076641266 178211554 /nfs/dbraw/zinc/21/15/54/178211554.db2.gz OCYDYKNTTATFNY-SNVBAGLBSA-N 1 0 207.277 1.163 10 0 BDAERO Cc1cc(OC[C@@H](C)[NH3+])cnc1Cl ZINC000013819713 178212244 /nfs/dbraw/zinc/21/22/44/178212244.db2.gz LATOIBNQRJGODZ-SSDOTTSWSA-N 1 0 200.669 1.769 10 0 BDAERO Cc1cc(OC[C@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000095068987 178212255 /nfs/dbraw/zinc/21/22/55/178212255.db2.gz CCDNNPZGKDVMBD-QMMMGPOBSA-N 1 0 227.695 1.427 10 0 BDAERO Cc1cc(Sc2cc(C(N)=[NH2+])ccn2)n(C)n1 ZINC000052310025 178219583 /nfs/dbraw/zinc/21/95/83/178219583.db2.gz SEEQPYWMCJJPGT-UHFFFAOYSA-N 1 0 247.327 1.559 10 0 BDAERO C[C@H](CO)Nc1ccc(C[NH3+])c(Cl)c1 ZINC000070821524 361774184 /nfs/dbraw/zinc/77/41/84/361774184.db2.gz IEQKHXKMGSHHPK-SSDOTTSWSA-N 1 0 214.696 1.591 10 0 BDAERO CCC[C@H](C(=O)NC[C@H](C)COC)[NH+](C)C ZINC000179634186 259304677 /nfs/dbraw/zinc/30/46/77/259304677.db2.gz ITWVVLUMXONADC-WDEREUQCSA-N 1 0 230.352 1.115 10 0 BDAERO C[C@@](O)(C[C@@H]1CCC[NH2+]1)c1cscn1 ZINC000306643147 361779529 /nfs/dbraw/zinc/77/95/29/361779529.db2.gz VZSDXDXTWVGMLR-WCBMZHEXSA-N 1 0 212.318 1.493 10 0 BDAERO C[C@H](C[S@](C)=O)[NH2+][C@H]1CCC[C@H]1CCF ZINC000336774239 398234909 /nfs/dbraw/zinc/23/49/09/398234909.db2.gz ZKANBELHOAQRRE-LMCGPQHNSA-N 1 0 235.368 1.871 10 0 BDAERO C[C@H]([NH3+])c1csc(-c2ncccn2)n1 ZINC000070840418 361782061 /nfs/dbraw/zinc/78/20/61/361782061.db2.gz HIJFQEAYEIKQGS-LURJTMIESA-N 1 0 206.274 1.620 10 0 BDAERO Cc1cc([C@H](C)N2CC[C@H]([NH3+])C2=O)c(C)o1 ZINC000044730698 178244169 /nfs/dbraw/zinc/24/41/69/178244169.db2.gz OGIMUMFWNOTZBN-KWQFWETISA-N 1 0 222.288 1.517 10 0 BDAERO Cc1cc([C@H]([NH3+])c2cnn(C)c2)ccc1F ZINC000043462340 178263164 /nfs/dbraw/zinc/26/31/64/178263164.db2.gz FBOHDBXRHDKTBF-LBPRGKRZSA-N 1 0 219.263 1.916 10 0 BDAERO Cc1cc([C@H]([NH2+]C(C)C)C(N)=O)ccc1F ZINC000050558898 178263207 /nfs/dbraw/zinc/26/32/07/178263207.db2.gz HDEQPEWCILUIAK-NSHDSACASA-N 1 0 224.279 1.659 10 0 BDAERO CCN1CCO[C@@H](CNc2cc[nH+]cc2C)C1 ZINC000166100268 538938582 /nfs/dbraw/zinc/93/85/82/538938582.db2.gz SVDHWTCPGSDEME-LBPRGKRZSA-N 1 0 235.331 1.523 10 0 BDAERO Cc1cc([C@](O)(C[NH3+])C(F)(F)F)c(C)n1C ZINC000050197521 178270400 /nfs/dbraw/zinc/27/04/00/178270400.db2.gz DIEVSLOTIDLTCF-SECBINFHSA-N 1 0 236.237 1.351 10 0 BDAERO CCC(CC)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000122373036 168361768 /nfs/dbraw/zinc/36/17/68/168361768.db2.gz DXNQJHZRZOKLBR-CQSZACIVSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1cc2c(cc1C)O[C@H](C1=[NH+]CCN1)C2 ZINC000027637652 178286187 /nfs/dbraw/zinc/28/61/87/178286187.db2.gz HUVWKAGWFHDPCU-LBPRGKRZSA-N 1 0 216.284 1.609 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC2(CCC2)C1 ZINC000380523189 398251250 /nfs/dbraw/zinc/25/12/50/398251250.db2.gz UOXJSKNZISXFGN-LLVKDONJSA-N 1 0 224.348 1.762 10 0 BDAERO CO[C@@](C)(C[NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000381080599 398252393 /nfs/dbraw/zinc/25/23/93/398252393.db2.gz RHXSVUABINZRFW-STQMWFEESA-N 1 0 227.348 1.960 10 0 BDAERO C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1O)C(F)(F)F ZINC000381310844 398253185 /nfs/dbraw/zinc/25/31/85/398253185.db2.gz LMRWIPGYWSJMFN-YIZRAAEISA-N 1 0 241.253 1.193 10 0 BDAERO Cc1noc2ncnc(N[C@@H]3CC[C@H](C[NH3+])C3)c12 ZINC000382466778 398256655 /nfs/dbraw/zinc/25/66/55/398256655.db2.gz MSRJILHTIQDTSH-DTWKUNHWSA-N 1 0 247.302 1.466 10 0 BDAERO Cc1ccc(-c2nc([C@H](C)[NH3+])no2)c(C)n1 ZINC000055331694 178336916 /nfs/dbraw/zinc/33/69/16/178336916.db2.gz OVRHRQFSKDYDKJ-ZETCQYMHSA-N 1 0 218.260 1.768 10 0 BDAERO Cc1ccc(-c2nnc(CCC[NH3+])o2)s1 ZINC000050283598 178339378 /nfs/dbraw/zinc/33/93/78/178339378.db2.gz BIFJNVQYYMKTJM-UHFFFAOYSA-N 1 0 223.301 1.998 10 0 BDAERO Cc1ccc(-c2nnc(CCC[NH3+])o2)cn1 ZINC000050283562 178339432 /nfs/dbraw/zinc/33/94/32/178339432.db2.gz NZQWYXQKFBTBRB-UHFFFAOYSA-N 1 0 218.260 1.331 10 0 BDAERO Cc1cnc([C@H](C)NC[C@H]2CCC[N@@H+]2C)o1 ZINC000386269924 398264057 /nfs/dbraw/zinc/26/40/57/398264057.db2.gz YYTCCZFITYEGCM-WDEREUQCSA-N 1 0 223.320 1.728 10 0 BDAERO Cc1ccc(-n2nnnc2[C@@H](C)[NH3+])c(C)c1 ZINC000062494056 178350472 /nfs/dbraw/zinc/35/04/72/178350472.db2.gz XWQCYELGHGGHKJ-SECBINFHSA-N 1 0 217.276 1.299 10 0 BDAERO Cc1ccc([C@H]2CCNC3=[NH+]CCN32)cc1 ZINC000141526152 538952851 /nfs/dbraw/zinc/95/28/51/538952851.db2.gz VULZYBNIWYOKNZ-GFCCVEGCSA-N 1 0 215.300 1.701 10 0 BDAERO Cc1ccc(C(=O)N(C)C2C[NH2+]C2)c(Cl)c1 ZINC000234265237 178377109 /nfs/dbraw/zinc/37/71/09/178377109.db2.gz KZZUUEGDAJPYAJ-UHFFFAOYSA-N 1 0 238.718 1.692 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])CNC(=O)NC1CCCCC1 ZINC000324725966 538951171 /nfs/dbraw/zinc/95/11/71/538951171.db2.gz HFUALZUEVNWLFF-NSHDSACASA-N 1 0 241.379 1.992 10 0 BDAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2ccccn2)cn1 ZINC000177993397 538952571 /nfs/dbraw/zinc/95/25/71/538952571.db2.gz CDXNGXIAGFYKAT-CQSZACIVSA-N 1 0 242.326 1.943 10 0 BDAERO C[NH+](C)CCn1ccc2cccc(N)c21 ZINC000139823789 538950337 /nfs/dbraw/zinc/95/03/37/538950337.db2.gz PPNDFLNRWVEXSN-UHFFFAOYSA-N 1 0 203.289 1.785 10 0 BDAERO CCC(CC)N(CCO)c1ccc(C[NH3+])cn1 ZINC000042482740 168374568 /nfs/dbraw/zinc/37/45/68/168374568.db2.gz RUDIWJABELJVHT-UHFFFAOYSA-N 1 0 237.347 1.528 10 0 BDAERO CCn1cc(C(=O)[C@H]2CCCC[NH2+]2)cn1 ZINC000167680937 346834197 /nfs/dbraw/zinc/83/41/97/346834197.db2.gz YGNOOFUBCZXTNE-SNVBAGLBSA-N 1 0 207.277 1.228 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CCCOC1 ZINC000378808798 346837335 /nfs/dbraw/zinc/83/73/35/346837335.db2.gz YOQLPMXAOUFIGQ-DDHJBXDOSA-N 1 0 213.321 1.569 10 0 BDAERO CC[N@@H+]1CC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000616613112 349600741 /nfs/dbraw/zinc/60/07/41/349600741.db2.gz LZFGAUQFEZCJKQ-GFCCVEGCSA-N 1 0 218.300 1.595 10 0 BDAERO CC[N@@H+]1CC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616612984 349592831 /nfs/dbraw/zinc/59/28/31/349592831.db2.gz FXMWTBYQSDMSRE-LBPRGKRZSA-N 1 0 218.300 1.595 10 0 BDAERO CCC(CC)NC(=O)C[NH2+]CC1CCOCC1 ZINC000104203386 168377638 /nfs/dbraw/zinc/37/76/38/168377638.db2.gz VAERGWWHBOLXHI-UHFFFAOYSA-N 1 0 242.363 1.307 10 0 BDAERO OCC[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000306644593 361835169 /nfs/dbraw/zinc/83/51/69/361835169.db2.gz CNNQJVDPQRCPPU-VIFPVBQESA-N 1 0 213.664 1.355 10 0 BDAERO Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038048864 178424516 /nfs/dbraw/zinc/42/45/16/178424516.db2.gz XONCOGUYTUKBTI-QWHCGFSZSA-N 1 0 232.327 1.995 10 0 BDAERO [NH3+]CCCNc1nnc(C(F)(F)F)s1 ZINC000166489549 361851200 /nfs/dbraw/zinc/85/12/00/361851200.db2.gz BLBJUUCPTWIYNN-UHFFFAOYSA-N 1 0 226.227 1.318 10 0 BDAERO CNc1ncc(C[NH3+])cc1Br ZINC000306651500 361856273 /nfs/dbraw/zinc/85/62/73/361856273.db2.gz FYUUWJRVYWJPRX-UHFFFAOYSA-N 1 0 216.082 1.345 10 0 BDAERO CC[C@@H]1OCC[C@@H]1[C@H]([NH3+])c1ccsn1 ZINC000306649514 361844903 /nfs/dbraw/zinc/84/49/03/361844903.db2.gz QLQOZQOLNCKBSQ-HGNGGELXSA-N 1 0 212.318 1.958 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@@H]1Cc1sccc1Cl ZINC000306652995 361861035 /nfs/dbraw/zinc/86/10/35/361861035.db2.gz GSQZTNQDABTKDH-IONNQARKSA-N 1 0 231.748 1.914 10 0 BDAERO O[C@@]12CCCC[C@@H]1CCC[C@H]2[NH+]1CCOCC1 ZINC000144573125 342746233 /nfs/dbraw/zinc/74/62/33/342746233.db2.gz PLICGHUTENGKPZ-MCIONIFRSA-N 1 0 239.359 1.792 10 0 BDAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)COC ZINC000034938798 168382943 /nfs/dbraw/zinc/38/29/43/168382943.db2.gz HOFWTKOZSSECKF-ZJUUUORDSA-N 1 0 230.352 1.304 10 0 BDAERO O[C@]1(Cc2coc(Br)c2)CC[NH2+]C1 ZINC000306656453 361864495 /nfs/dbraw/zinc/86/44/95/361864495.db2.gz HDEMISHRRGNTJT-VIFPVBQESA-N 1 0 246.104 1.309 10 0 BDAERO CN(C)[C@@]1([C@@H]([NH3+])c2ccccc2)CCOC1 ZINC000144433772 342737463 /nfs/dbraw/zinc/73/74/63/342737463.db2.gz ABTPSUXVLLEKGF-STQMWFEESA-N 1 0 220.316 1.407 10 0 BDAERO CC[C@H]1CCCN1c1ncc(C[NH3+])s1 ZINC000054863871 398284170 /nfs/dbraw/zinc/28/41/70/398284170.db2.gz HGLIFWGHLLNDSD-QMMMGPOBSA-N 1 0 211.334 1.981 10 0 BDAERO C[C@@H]([NH3+])Cn1ncc2c1-c1ccc(O)cc1C2 ZINC000146213730 342766682 /nfs/dbraw/zinc/76/66/82/342766682.db2.gz JYFKNHAVJPMZHI-MRVPVSSYSA-N 1 0 229.283 1.507 10 0 BDAERO C[NH2+][C@H](C)Cc1noc(C2CC(C)C2)n1 ZINC000309643647 342775068 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/nfs/dbraw/zinc/01/68/15/539016815.db2.gz YXFCAFYUPBQCFU-UHFFFAOYSA-N 1 0 225.361 1.848 10 0 BDAERO CC(C)(C)OC(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC000134529963 342861568 /nfs/dbraw/zinc/86/15/68/342861568.db2.gz IBFTUWVKNFCECY-JTQLQIEISA-N 1 0 244.335 1.137 10 0 BDAERO C[C@@H]1C[NH2+]C[C@](O)(C(F)(F)Br)C1 ZINC000401641028 342865034 /nfs/dbraw/zinc/86/50/34/342865034.db2.gz HQVKRHVIPRXYBV-WDSKDSINSA-N 1 0 244.079 1.335 10 0 BDAERO [NH3+][C@@H]1CSC[C@@H]1CC1CCOCC1 ZINC000134574245 342869429 /nfs/dbraw/zinc/86/94/29/342869429.db2.gz JJERAFAKEWAYEK-VHSXEESVSA-N 1 0 201.335 1.493 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)C[N@@H+]1CCCSCC1 ZINC000165075017 342873958 /nfs/dbraw/zinc/87/39/58/342873958.db2.gz SXFQBZGVQPHRCJ-NXEZZACHSA-N 1 0 202.367 1.409 10 0 BDAERO Cc1cccc(C[C@H]2CSC[C@@H]2O)n1 ZINC000134665683 342876430 /nfs/dbraw/zinc/87/64/30/342876430.db2.gz HPKMOKDFWRVIOH-ONGXEEELSA-N 1 0 209.314 1.656 10 0 BDAERO [NH3+]C/C=C\C(=O)Nc1cc(Cl)ccn1 ZINC000308590142 342856949 /nfs/dbraw/zinc/85/69/49/342856949.db2.gz OHGXSUYCDQEVQW-UPHRSURJSA-N 1 0 211.652 1.188 10 0 BDAERO [NH3+][C@H]1CCN(c2sccc2Cl)C1 ZINC000229947191 342858262 /nfs/dbraw/zinc/85/82/62/342858262.db2.gz UXXNDEPLWUETAJ-LURJTMIESA-N 1 0 202.710 1.939 10 0 BDAERO C[C@@]([NH3+])(CO)c1ccc(Br)o1 ZINC000134755729 342882382 /nfs/dbraw/zinc/88/23/82/342882382.db2.gz DMEOBIWSJCIQNU-SSDOTTSWSA-N 1 0 220.066 1.208 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+]CCC(N)=O)c1 ZINC000037262054 398313831 /nfs/dbraw/zinc/31/38/31/398313831.db2.gz QHTQSBWXQWMOLX-SNVBAGLBSA-N 1 0 206.289 1.521 10 0 BDAERO C[C@H]([NH3+])c1ncn(Cc2ccccc2)n1 ZINC000097832136 342891880 /nfs/dbraw/zinc/89/18/80/342891880.db2.gz CXDDCQYUAAYPFK-VIFPVBQESA-N 1 0 202.261 1.346 10 0 BDAERO CCC1(CNC(=O)[C@@H](C)[NH2+]C)CCCC1 ZINC000232928725 342891907 /nfs/dbraw/zinc/89/19/07/342891907.db2.gz NQIVMHNPVSOPKY-SNVBAGLBSA-N 1 0 212.337 1.681 10 0 BDAERO CSCc1noc([C@H]2CSC[C@@H]2[NH3+])n1 ZINC000134805563 342892565 /nfs/dbraw/zinc/89/25/65/342892565.db2.gz NWMLRPXURADDLB-WDSKDSINSA-N 1 0 231.346 1.090 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@]2(C1)NCC[C@H](C)S2 ZINC000401700421 342908585 /nfs/dbraw/zinc/90/85/85/342908585.db2.gz ODYHSGVQCQOMID-GUBZILKMSA-N 1 0 200.351 1.427 10 0 BDAERO Clc1csc(N[C@H]2CC[NH2+]C2)n1 ZINC000165292888 342901149 /nfs/dbraw/zinc/90/11/49/342901149.db2.gz IPQAPCGAFVIYPC-YFKPBYRVSA-N 1 0 203.698 1.570 10 0 BDAERO [NH3+][C@@H]1CCN(c2nc(Cl)cs2)C1 ZINC000165291941 342901273 /nfs/dbraw/zinc/90/12/73/342901273.db2.gz NSAFMTBZDYEJGG-RXMQYKEDSA-N 1 0 203.698 1.334 10 0 BDAERO Clc1csc(N[C@@H]2CC[NH2+]C2)n1 ZINC000165292760 342901275 /nfs/dbraw/zinc/90/12/75/342901275.db2.gz IPQAPCGAFVIYPC-RXMQYKEDSA-N 1 0 203.698 1.570 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2cnco2)C1 ZINC000616603798 398323845 /nfs/dbraw/zinc/32/38/45/398323845.db2.gz IHQCMSDXMDVRQP-JTQLQIEISA-N 1 0 209.293 1.203 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCc2ccc(F)cc21 ZINC000234427124 342925259 /nfs/dbraw/zinc/92/52/59/342925259.db2.gz APDQSAGQJPEBJQ-MRVPVSSYSA-N 1 0 222.263 1.323 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000234432377 342925492 /nfs/dbraw/zinc/92/54/92/342925492.db2.gz IYQMUBZBLKWVCN-KXUCPTDWSA-N 1 0 230.377 1.385 10 0 BDAERO COc1ccccc1-c1cc(N)c(N)c[nH+]1 ZINC000575433974 398327887 /nfs/dbraw/zinc/32/78/87/398327887.db2.gz AYRPISMMLQXCTB-UHFFFAOYSA-N 1 0 215.256 1.922 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037482228 398328402 /nfs/dbraw/zinc/32/84/02/398328402.db2.gz MTKVMBYPYZVJSR-OIKLOGQESA-N 1 0 224.348 1.761 10 0 BDAERO C[C@H]([NH3+])[C@H](c1ccsc1)n1cccn1 ZINC000043124088 342928615 /nfs/dbraw/zinc/92/86/15/342928615.db2.gz WMZGBQIUEHTFCW-WCBMZHEXSA-N 1 0 207.302 1.881 10 0 BDAERO CC(C)[NH2+]CCC(=O)NCC[C@@H]1CCCO1 ZINC000038097115 398336039 /nfs/dbraw/zinc/33/60/39/398336039.db2.gz JJLHFGFJCGUJGL-NSHDSACASA-N 1 0 228.336 1.060 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000050596505 398337275 /nfs/dbraw/zinc/33/72/75/398337275.db2.gz NSYNBDKFZKUKHS-JTQLQIEISA-N 1 0 223.272 1.567 10 0 BDAERO COC[C@@]1(C(=O)Nc2ccc(C)nc2)CCC[NH2+]1 ZINC000643775022 398332034 /nfs/dbraw/zinc/33/20/34/398332034.db2.gz YNMWQXFKRIHJRJ-CYBMUJFWSA-N 1 0 249.314 1.097 10 0 BDAERO CN(Cc1ccncc1)C(=O)C1CCC([NH3+])CC1 ZINC000037626298 398333312 /nfs/dbraw/zinc/33/33/12/398333312.db2.gz HLSUPXMTJOENRS-UHFFFAOYSA-N 1 0 247.342 1.558 10 0 BDAERO Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988828 398335595 /nfs/dbraw/zinc/33/55/95/398335595.db2.gz SMYODCWMEFPQMY-NSHDSACASA-N 1 0 224.304 1.950 10 0 BDAERO CC(C)c1ccc([C@H](C)[NH2+]CC(N)=O)cc1 ZINC000019384790 342947316 /nfs/dbraw/zinc/94/73/16/342947316.db2.gz GQTSFLXMZXMGBH-JTQLQIEISA-N 1 0 220.316 1.946 10 0 BDAERO C[NH+]1CCN(c2cc(Cl)cc(N)n2)CC1 ZINC000149197467 398345154 /nfs/dbraw/zinc/34/51/54/398345154.db2.gz RVZZSUIRMXPIOQ-UHFFFAOYSA-N 1 0 226.711 1.069 10 0 BDAERO CC[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000053485871 346902339 /nfs/dbraw/zinc/90/23/39/346902339.db2.gz AKZIZMMKOBXFIH-WDEREUQCSA-N 1 0 200.326 1.095 10 0 BDAERO [NH3+][C@@H]1Cc2cc(Cl)cc(Cl)c2[C@H]1O ZINC000019795399 342957790 /nfs/dbraw/zinc/95/77/90/342957790.db2.gz UIPIGMAGKVZZEZ-APPZFPTMSA-N 1 0 218.083 1.910 10 0 BDAERO Fc1ccc2c(c1)[C@@H]1C[NH2+]CCN1CC2 ZINC000019788456 342957823 /nfs/dbraw/zinc/95/78/23/342957823.db2.gz QGTCUEUPELDMPN-LBPRGKRZSA-N 1 0 206.264 1.328 10 0 BDAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000305984395 259337327 /nfs/dbraw/zinc/33/73/27/259337327.db2.gz GAKAMPWGHNRZSY-QWHCGFSZSA-N 1 0 244.423 1.959 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)COCc1ccccc1 ZINC000404372621 342986407 /nfs/dbraw/zinc/98/64/07/342986407.db2.gz WZFUDPUKWIFYEA-WCQYABFASA-N 1 0 248.326 1.151 10 0 BDAERO [NH3+][C@@H](CO)Cc1cccc2ccccc21 ZINC000043193624 342996663 /nfs/dbraw/zinc/99/66/63/342996663.db2.gz IOXYAALIVGXTGR-GFCCVEGCSA-N 1 0 201.269 1.702 10 0 BDAERO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](C)C1 ZINC000260601655 349737890 /nfs/dbraw/zinc/73/78/90/349737890.db2.gz RBAKFKVPGWYULL-STQMWFEESA-N 1 0 233.311 1.895 10 0 BDAERO CC(C)c1nsc(N2CC[C@H]([NH3+])[C@@H]2C)n1 ZINC000308827871 259340500 /nfs/dbraw/zinc/34/05/00/259340500.db2.gz IKHLFFGJPDWLMG-YUMQZZPRSA-N 1 0 226.349 1.587 10 0 BDAERO Cc1nc(C)c(C)c(NC[C@H]2CCC[NH2+]C2)n1 ZINC000045954994 343012554 /nfs/dbraw/zinc/01/25/54/343012554.db2.gz AXDUBAZSXMTIRK-LBPRGKRZSA-N 1 0 234.347 1.813 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC000176998752 346920238 /nfs/dbraw/zinc/92/02/38/346920238.db2.gz BOFXMHBDOQTLAJ-LBPRGKRZSA-N 1 0 235.331 1.571 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@]1(OC)CCOC1 ZINC000638696972 352535072 /nfs/dbraw/zinc/53/50/72/352535072.db2.gz IANIEGGYNUCQBK-UTUOFQBUSA-N 1 0 213.321 1.570 10 0 BDAERO CCOc1ccccc1C[NH2+][C@@H]1C[C@H]1CO ZINC000309458091 259343106 /nfs/dbraw/zinc/34/31/06/259343106.db2.gz NAVNKIYNYHQYAW-NWDGAFQWSA-N 1 0 221.300 1.556 10 0 BDAERO C[C@H]([NH3+])[C@@H](N1CCCCC1)C(F)(F)F ZINC000043376319 343059709 /nfs/dbraw/zinc/05/97/09/343059709.db2.gz UWXBBFKOZRFVLJ-JGVFFNPUSA-N 1 0 210.243 1.750 10 0 BDAERO C[C@@H]([NH3+])[C@H](N1CCSCC1)C(F)(F)F ZINC000043376801 343059766 /nfs/dbraw/zinc/05/97/66/343059766.db2.gz TUNOLJAZEYNSHI-RQJHMYQMSA-N 1 0 228.283 1.313 10 0 BDAERO [NH3+][C@@H](CO)c1cccc(OC(F)(F)F)c1 ZINC000072198394 343069255 /nfs/dbraw/zinc/06/92/55/343069255.db2.gz NZNJVYOKWZUJIQ-QMMMGPOBSA-N 1 0 221.178 1.577 10 0 BDAERO Nc1c[nH+]c2ccc(N3CCOCC3)cc2c1N ZINC000584882070 343079844 /nfs/dbraw/zinc/07/98/44/343079844.db2.gz KRBLQMHHVPNCBQ-UHFFFAOYSA-N 1 0 244.298 1.066 10 0 BDAERO COC(=O)[C@H](CC(C)C)N1CC[C@H]([NH+](C)C)C1 ZINC000602890522 349795164 /nfs/dbraw/zinc/79/51/64/349795164.db2.gz NVTWSIPMQZGHMO-RYUDHWBXSA-N 1 0 242.363 1.210 10 0 BDAERO Cc1ccc(C)c(OCC[C@@H]([NH3+])CO)c1C ZINC000071531342 178490774 /nfs/dbraw/zinc/49/07/74/178490774.db2.gz OQPZHYMRMZYCOY-GFCCVEGCSA-N 1 0 223.316 1.700 10 0 BDAERO CC[C@@H]1C[S@](=O)[C@@H](C(C)C)[C@H](C)[NH2+]1 ZINC000306663435 362022224 /nfs/dbraw/zinc/02/22/24/362022224.db2.gz VNPUCSGHHRLFCT-WJZNIJOASA-N 1 0 203.351 1.530 10 0 BDAERO CC[NH2+]CC1CCN(c2ncc(C)c(C)n2)CC1 ZINC000386615345 343082889 /nfs/dbraw/zinc/08/28/89/343082889.db2.gz CKMCSSHCCXSYJC-UHFFFAOYSA-N 1 0 248.374 1.919 10 0 BDAERO c1nnc(SC[C@H]2CCC[NH2+]C2)s1 ZINC000043471669 343083529 /nfs/dbraw/zinc/08/35/29/343083529.db2.gz DZYBZAALYDAYJF-ZETCQYMHSA-N 1 0 215.347 1.630 10 0 BDAERO c1nnc(SC[C@@H]2CCC[NH2+]C2)s1 ZINC000043471667 343083772 /nfs/dbraw/zinc/08/37/72/343083772.db2.gz DZYBZAALYDAYJF-SSDOTTSWSA-N 1 0 215.347 1.630 10 0 BDAERO CNc1c(N)cnc2cc(F)c(F)c(F)c21 ZINC000584882632 343085108 /nfs/dbraw/zinc/08/51/08/343085108.db2.gz MIISFCGNJHDWIQ-UHFFFAOYSA-N 1 0 227.189 1.698 10 0 BDAERO FC1(F)[C@H]2C[NH2+]C[C@@]2(Cl)C1(F)F ZINC000584883266 343086019 /nfs/dbraw/zinc/08/60/19/343086019.db2.gz PARHJRQLCVJPPY-IMJSIDKUSA-N 1 0 203.566 1.468 10 0 BDAERO CC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000584883430 343086348 /nfs/dbraw/zinc/08/63/48/343086348.db2.gz NKYVNYLFYVPCTK-BDAKNGLRSA-N 1 0 214.309 1.652 10 0 BDAERO c1cc2c(cccc2CN2CC[NH2+]CC2)[nH]1 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CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1C[C@H]1CO ZINC000380101236 343095188 /nfs/dbraw/zinc/09/51/88/343095188.db2.gz LXPVSHVSZOKMDJ-WUHRBBMRSA-N 1 0 209.333 1.949 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)[C@H](C)O1 ZINC000394957166 362097872 /nfs/dbraw/zinc/09/78/72/362097872.db2.gz LLVWFAPGXUBHDP-KXNHARMFSA-N 1 0 240.347 1.058 10 0 BDAERO Cc1nn(C)cc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000189288637 136270848 /nfs/dbraw/zinc/27/08/48/136270848.db2.gz NANFYQXWTVAXIQ-YOGCLGLASA-N 1 0 234.347 1.766 10 0 BDAERO CCOc1cccc(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000309989365 343131582 /nfs/dbraw/zinc/13/15/82/343131582.db2.gz ZRNGLDRZBRGWSB-WCQYABFASA-N 1 0 221.300 1.556 10 0 BDAERO CN(C)[C@@]1([C@H]([NH3+])c2ccccc2)CCOC1 ZINC000144434175 343134764 /nfs/dbraw/zinc/13/47/64/343134764.db2.gz ABTPSUXVLLEKGF-OLZOCXBDSA-N 1 0 220.316 1.407 10 0 BDAERO Cc1cc2c(N[C@@H](C)C[C@@H](C)[NH3+])nccn2n1 ZINC000130438312 343180659 /nfs/dbraw/zinc/18/06/59/343180659.db2.gz BIEAUZLNPSHUCG-BDAKNGLRSA-N 1 0 233.319 1.575 10 0 BDAERO Cc1nsc(NC(=O)[C@]2(C)CCCC[NH2+]2)n1 ZINC000131770139 343184253 /nfs/dbraw/zinc/18/42/53/343184253.db2.gz BKFPWVKIWZFFOL-JTQLQIEISA-N 1 0 240.332 1.317 10 0 BDAERO C[C@H]1CN(c2ncnc3c2CCC3)CC[C@@H]1[NH3+] ZINC000094342717 343156206 /nfs/dbraw/zinc/15/62/06/343156206.db2.gz KTUKBPQIPKWCRS-ONGXEEELSA-N 1 0 232.331 1.139 10 0 BDAERO COC(=O)c1ccc(N2CCC[C@@H]([NH3+])C2)nc1C ZINC000124429968 343166979 /nfs/dbraw/zinc/16/69/79/343166979.db2.gz SMQXVNDFWWYLMB-SNVBAGLBSA-N 1 0 249.314 1.104 10 0 BDAERO COC(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)nc1C ZINC000124434428 343167866 /nfs/dbraw/zinc/16/78/66/343167866.db2.gz UADFALGNANXXQC-JTQLQIEISA-N 1 0 249.314 1.341 10 0 BDAERO C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000158324390 343200779 /nfs/dbraw/zinc/20/07/79/343200779.db2.gz ZTNOAGZSTVPGKB-JQWIXIFHSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CCC(CC[NH3+])CC2)O1 ZINC000158335906 343200874 /nfs/dbraw/zinc/20/08/74/343200874.db2.gz NZNPLEZCUCNMNC-ZYHUDNBSSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@H]1CCCC[N@@H+]1CCCNC1COC1 ZINC000082487867 136276697 /nfs/dbraw/zinc/27/66/97/136276697.db2.gz OGOORIDIVGKPKV-NSHDSACASA-N 1 0 212.337 1.239 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C ZINC000133410101 343190247 /nfs/dbraw/zinc/19/02/47/343190247.db2.gz RLUSFVUHGURURK-BDAKNGLRSA-N 1 0 200.326 1.665 10 0 BDAERO C[C@H](CC[NH3+])Nc1ncnc2c1CCC2 ZINC000134275261 343193873 /nfs/dbraw/zinc/19/38/73/343193873.db2.gz BAICUFRASZYFIC-MRVPVSSYSA-N 1 0 206.293 1.115 10 0 BDAERO COC(=O)C[C@](C)([NH3+])c1ccnc(C)c1 ZINC000238377892 343255458 /nfs/dbraw/zinc/25/54/58/343255458.db2.gz ZLKCDGLIAWJVCX-NSHDSACASA-N 1 0 208.261 1.127 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000083885898 136286958 /nfs/dbraw/zinc/28/69/58/136286958.db2.gz XVHVKLIGAZHYMP-JTQLQIEISA-N 1 0 239.344 1.334 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CCCCC1 ZINC000335608338 136298512 /nfs/dbraw/zinc/29/85/12/136298512.db2.gz ZSFLCCNBDQVXOF-MWLCHTKSSA-N 1 0 210.321 1.576 10 0 BDAERO Cc1cc(C)nc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000070010814 343297011 /nfs/dbraw/zinc/29/70/11/343297011.db2.gz PCAYRMRCKDODSZ-SNVBAGLBSA-N 1 0 208.309 1.489 10 0 BDAERO C#[N+]c1cnc(N)c(I)c1 ZINC000200587197 343302473 /nfs/dbraw/zinc/30/24/73/343302473.db2.gz WPCGBCSFFISPHM-UHFFFAOYSA-N 1 0 245.023 1.819 10 0 BDAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC000035793225 343304482 /nfs/dbraw/zinc/30/44/82/343304482.db2.gz FPAOELVJKZYPOD-NXEZZACHSA-N 1 0 236.315 1.610 10 0 BDAERO COC(=O)[C@@H]1C[C@@H](C[NH3+])c2ccccc21 ZINC000038363668 343374793 /nfs/dbraw/zinc/37/47/93/343374793.db2.gz VLYNBHYMQUZEDV-GZMMTYOYSA-N 1 0 205.257 1.389 10 0 BDAERO COc1ccc([C@H]([NH3+])Cn2ccnc2)cc1 ZINC000038860472 343380762 /nfs/dbraw/zinc/38/07/62/343380762.db2.gz MRLHUMCSLSVAKU-GFCCVEGCSA-N 1 0 217.272 1.592 10 0 BDAERO Cc1ccc2c(c1)[C@@H]1C[NH2+]CC[C@H]1C2=O ZINC000039105042 343384847 /nfs/dbraw/zinc/38/48/47/343384847.db2.gz BMIILDGYLBULEW-ZYHUDNBSSA-N 1 0 201.269 1.884 10 0 BDAERO Cc1csc(C(=O)OCCC[NH+](C)C)n1 ZINC000039111103 343385432 /nfs/dbraw/zinc/38/54/32/343385432.db2.gz PAZGZVSYRBBASG-UHFFFAOYSA-N 1 0 228.317 1.560 10 0 BDAERO Clc1ccc2c(c1)nc1n2CC[NH2+]CC1 ZINC000039370315 343389670 /nfs/dbraw/zinc/38/96/70/343389670.db2.gz TUQCFGVWQPJWRV-UHFFFAOYSA-N 1 0 221.691 1.835 10 0 BDAERO Cc1ccc(CC2(O)CC[NH2+]CC2)cc1C ZINC000055189715 178523665 /nfs/dbraw/zinc/52/36/65/178523665.db2.gz YONYUPISZCRMIJ-UHFFFAOYSA-N 1 0 219.328 1.960 10 0 BDAERO C[NH+]1CCN(c2ccc3cc[nH]c3n2)CC1 ZINC000221248924 343397848 /nfs/dbraw/zinc/39/78/48/343397848.db2.gz SONFLONYTJGSAX-UHFFFAOYSA-N 1 0 216.288 1.315 10 0 BDAERO C[C@H]1COCCN1C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000335699523 136328201 /nfs/dbraw/zinc/32/82/01/136328201.db2.gz JISWKGGNJPLCTB-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO CC(C)([NH3+])c1cn(CC[C@H]2CCCCO2)nn1 ZINC000641084256 362206179 /nfs/dbraw/zinc/20/61/79/362206179.db2.gz IYSNFARHWADYKF-SNVBAGLBSA-N 1 0 238.335 1.431 10 0 BDAERO CC(C)[C@H](C)CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000172499240 534940577 /nfs/dbraw/zinc/94/05/77/534940577.db2.gz JKBSAPFGKXYXRH-VXGBXAGGSA-N 1 0 241.379 1.624 10 0 BDAERO [NH3+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000042582145 343444323 /nfs/dbraw/zinc/44/43/23/343444323.db2.gz QQMTUQTWFLOFJS-LURJTMIESA-N 1 0 228.654 1.543 10 0 BDAERO COC(=O)CCSC[C@@H]1CCC[NH2+]1 ZINC000043497379 343475987 /nfs/dbraw/zinc/47/59/87/343475987.db2.gz XQPBYZVSLIKSAR-QMMMGPOBSA-N 1 0 203.307 1.035 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000044135935 343492457 /nfs/dbraw/zinc/49/24/57/343492457.db2.gz DHIQDLYSUWUHPC-CHWSQXEVSA-N 1 0 249.310 1.561 10 0 BDAERO CCS(=O)(=O)c1cc(Cl)ccc1C[NH3+] ZINC000158994127 346944780 /nfs/dbraw/zinc/94/47/80/346944780.db2.gz AIBIVNMDWQBJFC-UHFFFAOYSA-N 1 0 233.720 1.592 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC1CCC1 ZINC000398665550 488221832 /nfs/dbraw/zinc/22/18/32/488221832.db2.gz JMMLMXSHRMUXRX-MWLCHTKSSA-N 1 0 210.321 1.433 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cn[nH]n2)C1 ZINC000616621230 343524009 /nfs/dbraw/zinc/52/40/09/343524009.db2.gz QHUISNRRJDDOSF-SECBINFHSA-N 1 0 208.309 1.783 10 0 BDAERO C[N@@H+]1CCOC[C@@H](c2ccccc2CCO)C1 ZINC000616661943 343534054 /nfs/dbraw/zinc/53/40/54/343534054.db2.gz WPBDCZHPRWUGBR-ZDUSSCGKSA-N 1 0 235.327 1.267 10 0 BDAERO c1nc2c([nH]1)[C@]1(C[C@@H]3CCCC[C@H]31)[NH2+]CC2 ZINC000712471481 537787048 /nfs/dbraw/zinc/78/70/48/537787048.db2.gz WVCUGRLNAOUWSV-OPQQBVKSSA-N 1 0 217.316 1.961 10 0 BDAERO CC(=O)C[N@H+]1C[C@H](C)[C@H]2C=CC=C[C@@H]2C1 ZINC000048582466 343584002 /nfs/dbraw/zinc/58/40/02/343584002.db2.gz FQGXTLVZGMQWOG-CYZMBNFOSA-N 1 0 205.301 1.886 10 0 BDAERO Cc1nc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)cs1 ZINC000624238058 343584161 /nfs/dbraw/zinc/58/41/61/343584161.db2.gz JGWZYSWHUTYMSR-NMLBEHRDSA-N 1 0 242.344 1.252 10 0 BDAERO CCOC(=N)c1ccc(C(=O)OC)cc1 ZINC000204746483 343588962 /nfs/dbraw/zinc/58/89/62/343588962.db2.gz ZFTZEHQPLJLABU-UHFFFAOYSA-N 1 0 207.229 1.835 10 0 BDAERO CC(C)(C)NC(=O)CCc1ccc(C[NH3+])cc1 ZINC000168250579 343615479 /nfs/dbraw/zinc/61/54/79/343615479.db2.gz BEGYGXBGYWEFSK-UHFFFAOYSA-N 1 0 234.343 1.993 10 0 BDAERO C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1C ZINC000087123043 343637807 /nfs/dbraw/zinc/63/78/07/343637807.db2.gz WZMSWPDZUGRIEP-NNYUYHANSA-N 1 0 224.348 1.489 10 0 BDAERO Cc1cccc([C@@H](C(CO)CO)[NH+](C)C)c1 ZINC000196151582 343628660 /nfs/dbraw/zinc/62/86/60/343628660.db2.gz NLGGMWRBBKNGMV-ZDUSSCGKSA-N 1 0 223.316 1.199 10 0 BDAERO C1CC1[C@@H]1CC[NH+]=C2N[C@H]3CCCC[C@H]3N21 ZINC000300019335 537801795 /nfs/dbraw/zinc/80/17/95/537801795.db2.gz ZOIHCXKZEKQGAY-SDDRHHMPSA-N 1 0 219.332 1.741 10 0 BDAERO CC(C)[C@@H]1CC[NH+]=C2N[C@@H]3CCCC[C@H]3N21 ZINC000300015113 537802184 /nfs/dbraw/zinc/80/21/84/537802184.db2.gz GFMIVHUVKWUHND-GRYCIOLGSA-N 1 0 221.348 1.987 10 0 BDAERO OCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000379977479 343663619 /nfs/dbraw/zinc/66/36/19/343663619.db2.gz FGCBKYKONZBGSP-JTQLQIEISA-N 1 0 233.670 1.094 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1cccnc1 ZINC000054685539 343690053 /nfs/dbraw/zinc/69/00/53/343690053.db2.gz LOFZGBLIVGSZRQ-UONOGXRCSA-N 1 0 228.295 1.685 10 0 BDAERO C[C@@H]1CC[N@H+](C[Si](C)(C)C)C[C@H]1N ZINC000401834538 343735869 /nfs/dbraw/zinc/73/58/69/343735869.db2.gz DKGROMFQRKJBTK-NXEZZACHSA-N 1 0 200.402 1.533 10 0 BDAERO C[C@@H]1CNC[C@H](C)[N@H+]1C[Si](C)(C)C ZINC000401840575 343775908 /nfs/dbraw/zinc/77/59/08/343775908.db2.gz HBLFIUAMOLNACX-AOOOYVTPSA-N 1 0 200.402 1.546 10 0 BDAERO CC(C)(C)OC1CC([NH2+][C@@H]2C[C@H]2CO)C1 ZINC000309077734 349855009 /nfs/dbraw/zinc/85/50/09/349855009.db2.gz MSNKNPFMTTWUMV-IDWGSYCQSA-N 1 0 213.321 1.303 10 0 BDAERO CSCC[C@@H]([NH3+])c1nc2cccnc2[nH]1 ZINC000044264036 343780877 /nfs/dbraw/zinc/78/08/77/343780877.db2.gz ICYUXUMKEJGFSV-SSDOTTSWSA-N 1 0 222.317 1.711 10 0 BDAERO CNc1cc(N(C)CCOC)nc(C2CC2)[nH+]1 ZINC000127054123 343787299 /nfs/dbraw/zinc/78/72/99/343787299.db2.gz GJYNMTSMMARDKO-UHFFFAOYSA-N 1 0 236.319 1.478 10 0 BDAERO CNc1cc(NCc2ccncc2)nc(C)[nH+]1 ZINC000128678452 343787661 /nfs/dbraw/zinc/78/76/61/343787661.db2.gz SEYSDCDJHJMSKN-UHFFFAOYSA-N 1 0 229.287 1.834 10 0 BDAERO c1cnc2cc([C@@H]3COCC[NH2+]3)ccc2c1 ZINC000309155305 346973972 /nfs/dbraw/zinc/97/39/72/346973972.db2.gz PGXYNGQQXZQPCG-ZDUSSCGKSA-N 1 0 214.268 1.896 10 0 BDAERO C[NH2+]CCCc1cnn(CC(F)(F)F)c1 ZINC000307917445 343790090 /nfs/dbraw/zinc/79/00/90/343790090.db2.gz BZOAJMGIQWMSHO-UHFFFAOYSA-N 1 0 221.226 1.597 10 0 BDAERO CC(C)(C)S(=O)(=O)CC[C@@H]1CC[NH2+]C1 ZINC000215737975 343792316 /nfs/dbraw/zinc/79/23/16/343792316.db2.gz NOFDCWHZUZPKIQ-VIFPVBQESA-N 1 0 219.350 1.199 10 0 BDAERO CCn1nc(-c2cccnc2)cc1C[NH3+] ZINC000213486742 343792588 /nfs/dbraw/zinc/79/25/88/343792588.db2.gz LGRMRHCSHMDGGC-UHFFFAOYSA-N 1 0 202.261 1.424 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CC[C@H](C(F)(F)F)C1 ZINC000304437634 343797351 /nfs/dbraw/zinc/79/73/51/343797351.db2.gz SGBWCTROJDSDPF-YUMQZZPRSA-N 1 0 236.237 1.007 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1C[C@@H]2CCC(F)(F)[C@@H]2C1 ZINC000409427207 343799973 /nfs/dbraw/zinc/79/99/73/343799973.db2.gz KAIZISZUXBWKJH-KXUCPTDWSA-N 1 0 244.285 1.100 10 0 BDAERO CCCn1cccc1-c1noc(C2C[NH2+]C2)n1 ZINC000409423067 343814687 /nfs/dbraw/zinc/81/46/87/343814687.db2.gz OEOPCXGKJNBJRZ-UHFFFAOYSA-N 1 0 232.287 1.635 10 0 BDAERO CC(C)(C)c1cc(N2CCC[C@H](C[NH3+])C2)n[nH]1 ZINC000409423119 343814897 /nfs/dbraw/zinc/81/48/97/343814897.db2.gz OWOKGFBHZUQUBG-SNVBAGLBSA-N 1 0 236.363 1.882 10 0 BDAERO CC(C)C[NH+]1CCC(n2cc(CO)nn2)CC1 ZINC000409423759 343816368 /nfs/dbraw/zinc/81/63/68/343816368.db2.gz CXDZDALPQVWASP-UHFFFAOYSA-N 1 0 238.335 1.063 10 0 BDAERO Cn1cc(C2=CC[NH2+]CC2)c2cccnc21 ZINC000409424285 343817147 /nfs/dbraw/zinc/81/71/47/343817147.db2.gz XXSPLCHCRWBWOD-UHFFFAOYSA-N 1 0 213.284 1.950 10 0 BDAERO COC[C@H]1CN(c2ncccc2N)C[C@@H]1C ZINC000409432544 343827069 /nfs/dbraw/zinc/82/70/69/343827069.db2.gz WBBHWJNJZDKDGN-VHSXEESVSA-N 1 0 221.304 1.383 10 0 BDAERO COC[C@@]12C[N@H+](CCN)C[C@H]1CCCC2 ZINC000409428586 343804065 /nfs/dbraw/zinc/80/40/65/343804065.db2.gz GSMRAJKGWCETMD-VXGBXAGGSA-N 1 0 212.337 1.084 10 0 BDAERO [NH2+]=C(CN1C[C@H]2[C@@H](C1)CCCC2(F)F)NO ZINC000409428709 343804073 /nfs/dbraw/zinc/80/40/73/343804073.db2.gz MVWLYYWDDIWRQS-SFYZADRCSA-N 1 0 233.262 1.310 10 0 BDAERO C[C@@H]1CCCCN1c1cc(OCC[NH3+])ncn1 ZINC000409429355 343805214 /nfs/dbraw/zinc/80/52/14/343805214.db2.gz KETIDAKGSKGSAF-SNVBAGLBSA-N 1 0 236.319 1.193 10 0 BDAERO CCCNc1cc(OCC[NH3+])nc(C2CC2)n1 ZINC000409429261 343805267 /nfs/dbraw/zinc/80/52/67/343805267.db2.gz IITKBRYKDMTBTK-UHFFFAOYSA-N 1 0 236.319 1.513 10 0 BDAERO O=C1CC2(C[NH2+]C2)Oc2ccc(F)cc21 ZINC000409429703 343806154 /nfs/dbraw/zinc/80/61/54/343806154.db2.gz DEAOFTYWQHDIIA-UHFFFAOYSA-N 1 0 207.204 1.133 10 0 BDAERO CCN(C(=O)[C@H]1CC[NH2+]C1)C1CCSCC1 ZINC000409429596 343806197 /nfs/dbraw/zinc/80/61/97/343806197.db2.gz HQHPSHGRGDAAFH-JTQLQIEISA-N 1 0 242.388 1.340 10 0 BDAERO C[C@@H](n1nccc1NC(=O)C[NH3+])C(C)(C)C ZINC000400583864 343810894 /nfs/dbraw/zinc/81/08/94/343810894.db2.gz UZVQPKQCQJPTIZ-MRVPVSSYSA-N 1 0 224.308 1.387 10 0 BDAERO CCn1cc(C(N)=[NH2+])c(-c2ccncc2)n1 ZINC000409440868 343856279 /nfs/dbraw/zinc/85/62/79/343856279.db2.gz VGUAESDKMIPBPE-UHFFFAOYSA-N 1 0 215.260 1.249 10 0 BDAERO CCN(C(=O)C1CC[NH2+]CC1)[C@@H]1CCSC1 ZINC000409433968 343831045 /nfs/dbraw/zinc/83/10/45/343831045.db2.gz NVKRXMCKVMZGMQ-LLVKDONJSA-N 1 0 242.388 1.340 10 0 BDAERO COC1CC([C@H]2[NH2+]CCc3ccoc32)C1 ZINC000714509712 537821945 /nfs/dbraw/zinc/82/19/45/537821945.db2.gz YAOFYPHXGJXMFU-VQXHTEKXSA-N 1 0 207.273 1.891 10 0 BDAERO CC[N@@H+]1CC[C@@H](c2cccc(CO)c2)C1 ZINC000616613494 349877045 /nfs/dbraw/zinc/87/70/45/349877045.db2.gz SELZXRLJBNDFHQ-CYBMUJFWSA-N 1 0 205.301 1.988 10 0 BDAERO Nc1cc(C(F)(F)F)nn1C[C@@H]1CCC[NH2+]C1 ZINC000409438500 343844187 /nfs/dbraw/zinc/84/41/87/343844187.db2.gz LQMFREQYKGBDCL-SSDOTTSWSA-N 1 0 248.252 1.484 10 0 BDAERO CCn1cc(CC[NH2+]C)c(-c2ccccn2)n1 ZINC000409438622 343844924 /nfs/dbraw/zinc/84/49/24/343844924.db2.gz MJOKSTCJNZKTJC-UHFFFAOYSA-N 1 0 230.315 1.727 10 0 BDAERO C[C@@H](C(=[NH2+])NO)N(C(=O)OC(C)(C)C)C1CC1 ZINC000409438873 343845962 /nfs/dbraw/zinc/84/59/62/343845962.db2.gz DVHKBTFOXNSMDP-ZETCQYMHSA-N 1 0 243.307 1.730 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H]1c1noc(-c2cccnc2)n1 ZINC000409439041 343846511 /nfs/dbraw/zinc/84/65/11/343846511.db2.gz FZNAVIAINSBNAH-QWRGUYRKSA-N 1 0 244.298 1.987 10 0 BDAERO CCc1cc(-c2ccccn2)nn1CC[NH3+] ZINC000409438329 343850141 /nfs/dbraw/zinc/85/01/41/343850141.db2.gz CUJGQEQEHIDTQS-UHFFFAOYSA-N 1 0 216.288 1.466 10 0 BDAERO CN1C(=O)[C@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1 ZINC000409440379 343851821 /nfs/dbraw/zinc/85/18/21/343851821.db2.gz KOZJWIOYKHCNLP-NXEZZACHSA-N 1 0 224.691 1.571 10 0 BDAERO [NH2+]=C(NO)[C@@H](c1cccnc1)N1CCCCC1 ZINC000409442140 343857552 /nfs/dbraw/zinc/85/75/52/343857552.db2.gz TUTKGMLPZHXUPZ-LLVKDONJSA-N 1 0 234.303 1.565 10 0 BDAERO [NH3+]Cc1cc(C(F)(F)F)nn1C(F)F ZINC000409443629 343862275 /nfs/dbraw/zinc/86/22/75/343862275.db2.gz QOYXWNBMSVQOSU-UHFFFAOYSA-N 1 0 215.125 1.756 10 0 BDAERO CCn1nc(-c2ccccn2)cc1C(N)=[NH2+] ZINC000409443935 343863494 /nfs/dbraw/zinc/86/34/94/343863494.db2.gz XADYDAOFSKWUEC-UHFFFAOYSA-N 1 0 215.260 1.249 10 0 BDAERO [NH3+]CCc1cc(-c2ccncc2)nn1CCF ZINC000409443967 343863986 /nfs/dbraw/zinc/86/39/86/343863986.db2.gz XNWSQCZAPRYPPI-UHFFFAOYSA-N 1 0 234.278 1.416 10 0 BDAERO CC1([NH2+]C[C@@H]2CSCCN2)CCCC1 ZINC000127163215 343885002 /nfs/dbraw/zinc/88/50/02/343885002.db2.gz PNXARJSWOUZWJB-SNVBAGLBSA-N 1 0 214.378 1.614 10 0 BDAERO CS[C@@H]1CCC[C@H]1N1CC[C@@H]([NH3+])C1 ZINC000235234643 343872552 /nfs/dbraw/zinc/87/25/52/343872552.db2.gz NRLRLLWGAAQXOK-OPRDCNLKSA-N 1 0 200.351 1.304 10 0 BDAERO CS[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](CO)C1 ZINC000235234607 343872579 /nfs/dbraw/zinc/87/25/79/343872579.db2.gz OASVYLYETYSLDP-GMTAPVOTSA-N 1 0 215.362 1.585 10 0 BDAERO Cc1n[nH]cc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000393605792 343899497 /nfs/dbraw/zinc/89/94/97/343899497.db2.gz FVUBZYLEZZGNLE-SNVBAGLBSA-N 1 0 211.309 1.215 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@@H](O)C(C)(C)C ZINC000234321288 343941007 /nfs/dbraw/zinc/94/10/07/343941007.db2.gz GPQVLTUAOFTVLZ-RKDXNWHRSA-N 1 0 203.351 1.441 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCN(c2nncs2)C1 ZINC000069967615 343945163 /nfs/dbraw/zinc/94/51/63/343945163.db2.gz KLTVRVNAJIHMDW-JGVFFNPUSA-N 1 0 212.322 1.102 10 0 BDAERO Cc1ccc([C@H](C[NH3+])N2CCOCC2)c(C)c1 ZINC000022216190 343929417 /nfs/dbraw/zinc/92/94/17/343929417.db2.gz YWNBODWHFLIITI-AWEZNQCLSA-N 1 0 234.343 1.635 10 0 BDAERO Cc1ccc2c(c1)N(C(=O)C1C[NH2+]C1)C[C@H](C)O2 ZINC000335894793 344044903 /nfs/dbraw/zinc/04/49/03/344044903.db2.gz PKBMHJSKQVWMGS-JTQLQIEISA-N 1 0 246.310 1.328 10 0 BDAERO Cc1ccnn1Cc1csc(C[NH3+])n1 ZINC000070630119 343953302 /nfs/dbraw/zinc/95/33/02/343953302.db2.gz JLICMTKDZCTZDM-UHFFFAOYSA-N 1 0 208.290 1.155 10 0 BDAERO C[C@@H](C[NH2+]CC1(C)CCC1)N1CCOCC1 ZINC000336755661 537837496 /nfs/dbraw/zinc/83/74/96/537837496.db2.gz XTUAJZOOMGLTGZ-LBPRGKRZSA-N 1 0 226.364 1.487 10 0 BDAERO C[NH2+]Cc1ncc(-c2csc(C)n2)o1 ZINC000234400943 343963880 /nfs/dbraw/zinc/96/38/80/343963880.db2.gz IBOWSSALCFVJBK-UHFFFAOYSA-N 1 0 209.274 1.826 10 0 BDAERO CC(C)(C[NH3+])N1CCSC(C)(C)C1 ZINC000135210222 343967514 /nfs/dbraw/zinc/96/75/14/343967514.db2.gz UTVNRVAGPUCBIZ-UHFFFAOYSA-N 1 0 202.367 1.551 10 0 BDAERO CC(C)([NH3+])c1cn(C[C@H]2CCC(C)(C)O2)nn1 ZINC000160838536 362331283 /nfs/dbraw/zinc/33/12/83/362331283.db2.gz FQKGOPVHOJAHPS-SECBINFHSA-N 1 0 238.335 1.430 10 0 BDAERO Cc1nc(C[C@]2([NH3+])CCO[C@@H]2C)cs1 ZINC000127247984 344078514 /nfs/dbraw/zinc/07/85/14/344078514.db2.gz RJMGKKWATBIYGN-GMSGAONNSA-N 1 0 212.318 1.500 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616569614 344171243 /nfs/dbraw/zinc/17/12/43/344171243.db2.gz BCYSEBSVLRACGU-SDDRHHMPSA-N 1 0 224.348 1.631 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736643 344127125 /nfs/dbraw/zinc/12/71/25/344127125.db2.gz USTPFRBRONTPBZ-MDZLAQPJSA-N 1 0 224.348 1.681 10 0 BDAERO Cc1cc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)n(C)n1 ZINC000634736468 344127863 /nfs/dbraw/zinc/12/78/63/344127863.db2.gz OGBRLJDFVZPNBR-GWCFXTLKSA-N 1 0 248.330 1.057 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C(C)C)C1 ZINC000249749788 362361034 /nfs/dbraw/zinc/36/10/34/362361034.db2.gz BVIUPQTZXWSBFH-NEPJUHHUSA-N 1 0 241.379 1.814 10 0 BDAERO CC1CC(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000634746887 344177717 /nfs/dbraw/zinc/17/77/17/344177717.db2.gz PDALYOPAFJWFOA-QCBYLEPLSA-N 1 0 236.359 1.491 10 0 BDAERO COC1(CNC2=[NH+]CCCS2)CCC1 ZINC000234706332 344209926 /nfs/dbraw/zinc/20/99/26/344209926.db2.gz LHTZOMNREDHZAM-UHFFFAOYSA-N 1 0 214.334 1.638 10 0 BDAERO CC[C@@H]1C[C@H]1C[NH2+]Cc1cnn(C)c1C ZINC000387709256 347034995 /nfs/dbraw/zinc/03/49/95/347034995.db2.gz MMKGQZLMPYRRPF-MNOVXSKESA-N 1 0 207.321 1.864 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C=C(C)C ZINC000616572637 344184743 /nfs/dbraw/zinc/18/47/43/344184743.db2.gz XDFWQACJBAWDTQ-MNOVXSKESA-N 1 0 210.321 1.457 10 0 BDAERO C[C@H](C(=O)N1C[C@@H]2CC[C@]2([NH3+])C1)C(C)(C)C ZINC000616574092 344186275 /nfs/dbraw/zinc/18/62/75/344186275.db2.gz XAOAVOFANAPWTA-NRUUGDAUSA-N 1 0 224.348 1.618 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384860594 344192506 /nfs/dbraw/zinc/19/25/06/344192506.db2.gz DHDSFUMLJBBKPS-WUHRBBMRSA-N 1 0 245.363 1.320 10 0 BDAERO O=C1CCCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000060720394 344198599 /nfs/dbraw/zinc/19/85/99/344198599.db2.gz GRMGYECUDBZPSO-WDEREUQCSA-N 1 0 211.305 1.202 10 0 BDAERO CCC1(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634751603 344202131 /nfs/dbraw/zinc/20/21/31/344202131.db2.gz UIKDJZURKGOHDU-FZMZJTMJSA-N 1 0 236.359 1.683 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1ncc(F)cn1 ZINC000128519475 344206618 /nfs/dbraw/zinc/20/66/18/344206618.db2.gz XKTLMEYODWZYBR-VIFPVBQESA-N 1 0 212.272 1.545 10 0 BDAERO CO[C@@H]1CCCC[C@@]12[NH2+][C@@H](C)CS2 ZINC000234771215 344252713 /nfs/dbraw/zinc/25/27/13/344252713.db2.gz YTJYWRRTIUXASR-AEJSXWLSSA-N 1 0 201.335 1.997 10 0 BDAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccn1 ZINC000092349823 344293785 /nfs/dbraw/zinc/29/37/85/344293785.db2.gz SZDFWSOLSBFMJA-NSHDSACASA-N 1 0 233.315 1.718 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000132946267 344312797 /nfs/dbraw/zinc/31/27/97/344312797.db2.gz YOWCJGXHTLYWGU-VXGBXAGGSA-N 1 0 212.337 1.238 10 0 BDAERO CC(C)([NH3+])[C@@H](O)c1ncc(Cl)s1 ZINC000223098869 344327569 /nfs/dbraw/zinc/32/75/69/344327569.db2.gz XVXHEQPPRTXKCZ-YFKPBYRVSA-N 1 0 206.698 1.567 10 0 BDAERO CCOc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)nc(C)n1 ZINC000385158259 344355654 /nfs/dbraw/zinc/35/56/54/344355654.db2.gz ANPARSVENJIRMQ-WPRPVWTQSA-N 1 0 236.319 1.110 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1nnc(C(F)F)s1 ZINC000385265568 344384656 /nfs/dbraw/zinc/38/46/56/344384656.db2.gz RFHRBSSLWKUEBB-CRCLSJGQSA-N 1 0 234.275 1.402 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385282214 344387212 /nfs/dbraw/zinc/38/72/12/344387212.db2.gz VXRWFCDCBXZHCH-MNOVXSKESA-N 1 0 234.347 1.834 10 0 BDAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000309760734 344454000 /nfs/dbraw/zinc/45/40/00/344454000.db2.gz IQYYVKFFMGPGJQ-UWVGGRQHSA-N 1 0 220.320 1.371 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1ccc2cnccc2c1 ZINC000616605187 344459828 /nfs/dbraw/zinc/45/98/28/344459828.db2.gz VIURGUPWUZSNAX-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO CC(C)(C)C(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000220486127 344471837 /nfs/dbraw/zinc/47/18/37/344471837.db2.gz PXRPFIXHDDJTIS-UHFFFAOYSA-N 1 0 210.321 1.245 10 0 BDAERO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(N)=S)C1 ZINC000230266575 344476235 /nfs/dbraw/zinc/47/62/35/344476235.db2.gz VXEHDFANERQNEM-WPRPVWTQSA-N 1 0 216.350 1.162 10 0 BDAERO Clc1ccc2c(c1)NC[C@@]21CC[NH2+]C1 ZINC000107207590 344480721 /nfs/dbraw/zinc/48/07/21/344480721.db2.gz PIYJGZRXXQCHGZ-NSHDSACASA-N 1 0 208.692 1.997 10 0 BDAERO CC(C)SCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000381495935 344512959 /nfs/dbraw/zinc/51/29/59/344512959.db2.gz BEPLRTKZICLCOB-VHSXEESVSA-N 1 0 230.377 1.385 10 0 BDAERO OCCN1CCC([NH2+]Cc2ccsc2)CC1 ZINC000381538962 344517628 /nfs/dbraw/zinc/51/76/28/344517628.db2.gz GWLQSPUBAXJOMJ-UHFFFAOYSA-N 1 0 240.372 1.294 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000381535631 344518621 /nfs/dbraw/zinc/51/86/21/344518621.db2.gz FHHWFLXXNSRDSX-UMNHJUIQSA-N 1 0 229.320 1.079 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C[NH+](C)C ZINC000381625706 344527545 /nfs/dbraw/zinc/52/75/45/344527545.db2.gz KZQLNLJMLUISGR-WISYIIOYSA-N 1 0 224.348 1.346 10 0 BDAERO C[C@@H]1C[C@@](O)(Cc2ccsc2)C[N@@H+]1C ZINC000127567880 344564450 /nfs/dbraw/zinc/56/44/50/344564450.db2.gz FZYZWJUQADLTGR-MWLCHTKSSA-N 1 0 211.330 1.746 10 0 BDAERO C[C@H]1C[C@](O)(Cc2ccsc2)C[N@@H+]1C ZINC000127567670 344564459 /nfs/dbraw/zinc/56/44/59/344564459.db2.gz FZYZWJUQADLTGR-ONGXEEELSA-N 1 0 211.330 1.746 10 0 BDAERO C[C@@](F)(C[NH3+])Cc1cn2ccsc2n1 ZINC000158254669 344575775 /nfs/dbraw/zinc/57/57/75/344575775.db2.gz KEKLDUSKMLFKNX-VIFPVBQESA-N 1 0 213.281 1.625 10 0 BDAERO [NH3+]C1CN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000111381118 344590282 /nfs/dbraw/zinc/59/02/82/344590282.db2.gz KTDCZRPDDHNOGL-UHFFFAOYSA-N 1 0 246.232 1.728 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H]2CCCSC2)C1 ZINC000220771970 344581004 /nfs/dbraw/zinc/58/10/04/344581004.db2.gz PFCAQOCCFCFEBA-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H]1C[C@@H](N2CCC(=O)CC2)CC[N@@H+]1C ZINC000158291486 344584379 /nfs/dbraw/zinc/58/43/79/344584379.db2.gz IOAJKVZUUKHBJD-MNOVXSKESA-N 1 0 210.321 1.134 10 0 BDAERO CCC[C@H](OC)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400395998 537853356 /nfs/dbraw/zinc/85/33/56/537853356.db2.gz MFYMWZQHVUXVKA-ONGXEEELSA-N 1 0 209.293 1.412 10 0 BDAERO COC(=O)[C@]1(c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000113284596 537851339 /nfs/dbraw/zinc/85/13/39/537851339.db2.gz COXIWHASASMKHF-GFCCVEGCSA-N 1 0 239.702 1.744 10 0 BDAERO [NH3+]Cc1cccc([N+](=O)[O-])c1OC(F)(F)F ZINC000396115200 344606509 /nfs/dbraw/zinc/60/65/09/344606509.db2.gz QOIJQUDLGQWOKG-UHFFFAOYSA-N 1 0 236.149 1.952 10 0 BDAERO NC[C@@]1([NH2+]C2CC2)CCc2ccccc2C1 ZINC000050271341 344665097 /nfs/dbraw/zinc/66/50/97/344665097.db2.gz FHWBQYAXLGLHDT-CQSZACIVSA-N 1 0 216.328 1.625 10 0 BDAERO CC[C@@H]1CS[C@@]2(C[C@H](C)N(C)C2)[NH2+]1 ZINC000127757222 344644047 /nfs/dbraw/zinc/64/40/47/344644047.db2.gz WFLLVEJOSSTDOT-IVZWLZJFSA-N 1 0 200.351 1.522 10 0 BDAERO OC[C@@H]1CC[C@H](CO)[N@H+](Cc2ccccc2)C1 ZINC000307040808 344736748 /nfs/dbraw/zinc/73/67/48/344736748.db2.gz RASVYUVGWVXMTI-ZIAGYGMSSA-N 1 0 235.327 1.252 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@H]1CSC ZINC000399996968 344748845 /nfs/dbraw/zinc/74/88/45/344748845.db2.gz KNAPFNOGCYBCGN-UWVGGRQHSA-N 1 0 230.377 1.468 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ccnc(F)c2)C1 ZINC000227641169 344709344 /nfs/dbraw/zinc/70/93/44/344709344.db2.gz LGFPDLIMXDIBHN-SNVBAGLBSA-N 1 0 209.268 1.727 10 0 BDAERO O=[S@]1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000158667576 344711849 /nfs/dbraw/zinc/71/18/49/344711849.db2.gz PVOHUDMXZTZXRO-GXFFZTMASA-N 1 0 201.335 1.287 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(F)cc1C ZINC000050568791 344711991 /nfs/dbraw/zinc/71/19/91/344711991.db2.gz SRADXCNISCOKKX-JTQLQIEISA-N 1 0 211.236 1.697 10 0 BDAERO O=[S@]1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000158667682 344712126 /nfs/dbraw/zinc/71/21/26/344712126.db2.gz PVOHUDMXZTZXRO-ZWNOBZJWSA-N 1 0 201.335 1.287 10 0 BDAERO CSC1(CN2CCC(=O)C2)CCCC1 ZINC000235046942 344750276 /nfs/dbraw/zinc/75/02/76/344750276.db2.gz LVQLRIAHPKVLSR-UHFFFAOYSA-N 1 0 213.346 1.937 10 0 BDAERO CC1(C)CSC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400411018 537856627 /nfs/dbraw/zinc/85/66/27/537856627.db2.gz YEYBGLGVPNTSME-GFCCVEGCSA-N 1 0 237.372 1.914 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000310501156 344755159 /nfs/dbraw/zinc/75/51/59/344755159.db2.gz JGLTZPYYFBIANO-RFQIPJPRSA-N 1 0 239.359 1.791 10 0 BDAERO CO[C@@H](C(C)C)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400423498 537857049 /nfs/dbraw/zinc/85/70/49/537857049.db2.gz ZBCMXUQEYGCXOC-MNOVXSKESA-N 1 0 209.293 1.268 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)S(C)(=O)=O ZINC000309483212 347074307 /nfs/dbraw/zinc/07/43/07/347074307.db2.gz UKIBMWXOYGMOSZ-TUAOUCFPSA-N 1 0 247.404 1.978 10 0 BDAERO CS[C@H]1CCC[C@@H]1NC1=[NH+]CCS1 ZINC000235137321 344808928 /nfs/dbraw/zinc/80/89/28/344808928.db2.gz WMLURAASGCCWAE-YUMQZZPRSA-N 1 0 216.375 1.963 10 0 BDAERO Brc1ccc(COC2C[NH2+]C2)s1 ZINC000062809864 347082140 /nfs/dbraw/zinc/08/21/40/347082140.db2.gz YUWBYOJIGGGYFJ-UHFFFAOYSA-N 1 0 248.145 1.999 10 0 BDAERO O=C(N1CCC[C@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000062810277 347082276 /nfs/dbraw/zinc/08/22/76/347082276.db2.gz YHYMTHQDJLMSAU-SFYZADRCSA-N 1 0 236.237 1.292 10 0 BDAERO CS[C@@H]1CC[C@@H](NC(=[NH2+])NC(C)C)C1 ZINC000235116626 344801283 /nfs/dbraw/zinc/80/12/83/344801283.db2.gz IFCQIFFKGLTODC-RKDXNWHRSA-N 1 0 215.366 1.793 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[NH2+]1 ZINC000307526737 344852288 /nfs/dbraw/zinc/85/22/88/344852288.db2.gz IPQYEIDFNYVNKF-KXUCPTDWSA-N 1 0 228.336 1.992 10 0 BDAERO C(C[C@H]1CCCCO1)NC1=[NH+]CCS1 ZINC000224237733 344870823 /nfs/dbraw/zinc/87/08/23/344870823.db2.gz IXSMOQKTLSZITB-SECBINFHSA-N 1 0 214.334 1.638 10 0 BDAERO C[C@H](C[NH3+])[C@@H](O)c1occc1Br ZINC000235437074 344911445 /nfs/dbraw/zinc/91/14/45/344911445.db2.gz PDNTVNKCXKFYAN-IYSWYEEDSA-N 1 0 234.093 1.670 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1[NH3+] ZINC000235322006 344886875 /nfs/dbraw/zinc/88/68/75/344886875.db2.gz HNJGPOFARUMQCB-SCZZXKLOSA-N 1 0 246.301 1.618 10 0 BDAERO CC(C)=C(F)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000153485271 344888124 /nfs/dbraw/zinc/88/81/24/344888124.db2.gz PUCNYPLNBSMGJB-NSHDSACASA-N 1 0 240.322 1.947 10 0 BDAERO [NH3+]C[C@]1(C[C@H]2CCCO2)CCCS1 ZINC000166488310 344907639 /nfs/dbraw/zinc/90/76/39/344907639.db2.gz ROPZFLKJOXJTMW-NXEZZACHSA-N 1 0 201.335 1.780 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000249169675 537873705 /nfs/dbraw/zinc/87/37/05/537873705.db2.gz ASMOZIOLYZZICM-FRRDWIJNSA-N 1 0 227.348 1.912 10 0 BDAERO C[C@H]1C[NH2+]C(C)(C)CN1C/C=C/Cl ZINC000235620904 344958862 /nfs/dbraw/zinc/95/88/62/344958862.db2.gz HKTOZDOZAYZICC-MOVJSRMASA-N 1 0 202.729 1.811 10 0 BDAERO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(N)=S)C1 ZINC000166712857 344972202 /nfs/dbraw/zinc/97/22/02/344972202.db2.gz CQRZTMRGEAONOY-VGMNWLOBSA-N 1 0 200.351 1.639 10 0 BDAERO [NH3+][C@H](CCO)c1c(F)ccc(F)c1F ZINC000044232995 344988312 /nfs/dbraw/zinc/98/83/12/344988312.db2.gz OQFNXMTXJVWKCR-SSDOTTSWSA-N 1 0 205.179 1.486 10 0 BDAERO CC(C)Oc1ccc([C@@H]([NH3+])CCO)cc1 ZINC000044232944 344988575 /nfs/dbraw/zinc/98/85/75/344988575.db2.gz LRPNDUZWECUYAT-LBPRGKRZSA-N 1 0 209.289 1.856 10 0 BDAERO [NH3+][C@@H](CCO)c1c(F)ccc(F)c1F ZINC000044232998 344988598 /nfs/dbraw/zinc/98/85/98/344988598.db2.gz OQFNXMTXJVWKCR-ZETCQYMHSA-N 1 0 205.179 1.486 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc2c(c1)OC(F)(F)O2 ZINC000044233388 344989017 /nfs/dbraw/zinc/98/90/17/344989017.db2.gz DPIBOFACTHMZLU-ZETCQYMHSA-N 1 0 231.198 1.390 10 0 BDAERO Cn1ccnc1[C@H]([NH3+])c1ccc(O)cc1 ZINC000011848562 345030143 /nfs/dbraw/zinc/03/01/43/345030143.db2.gz MBZUETXAVCGUNR-SNVBAGLBSA-N 1 0 203.245 1.174 10 0 BDAERO [NH3+][C@@H](Cn1cccn1)c1ccc2c(c1)OCCO2 ZINC000011849992 345032876 /nfs/dbraw/zinc/03/28/76/345032876.db2.gz QMHOCPQFCMBYEC-NSHDSACASA-N 1 0 245.282 1.354 10 0 BDAERO Cc1c([C@H](C)[NH3+])cnn1-c1nc(C)cc(C)n1 ZINC000011851171 345033127 /nfs/dbraw/zinc/03/31/27/345033127.db2.gz QCAXLMWBAKIUMS-VIFPVBQESA-N 1 0 231.303 1.607 10 0 BDAERO C[C@@H](c1cnccn1)N(C)C[C@H]1CCCC[NH2+]1 ZINC000248094254 345038934 /nfs/dbraw/zinc/03/89/34/345038934.db2.gz WXKZFLIKDXSUIL-NWDGAFQWSA-N 1 0 234.347 1.612 10 0 BDAERO c1ncn(C2CC[NH+](CC3CC3)CC2)n1 ZINC000155937157 345114906 /nfs/dbraw/zinc/11/49/06/345114906.db2.gz MPZHEWJMCFZKLR-UHFFFAOYSA-N 1 0 206.293 1.325 10 0 BDAERO C[C@@H](C[NH3+])Nc1cc(Cl)nnc1Cl ZINC000127307551 345171597 /nfs/dbraw/zinc/17/15/97/345171597.db2.gz ULXAAVLIJCURGC-BYPYZUCNSA-N 1 0 221.091 1.543 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)C(C)C ZINC000634955542 345126666 /nfs/dbraw/zinc/12/66/66/345126666.db2.gz JQLCLWYAFSEJPV-VXGBXAGGSA-N 1 0 247.404 1.978 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634950417 345127435 /nfs/dbraw/zinc/12/74/35/345127435.db2.gz RCPOEIHPAFKDGW-WDEREUQCSA-N 1 0 233.377 1.588 10 0 BDAERO C[C@@H]1C[C@H](CO)[N@H+](Cc2ccccc2)[C@H]1CO ZINC000307218901 345240205 /nfs/dbraw/zinc/24/02/05/345240205.db2.gz VTWBLRRUWANBFE-BNOWGMLFSA-N 1 0 235.327 1.250 10 0 BDAERO CC(C)n1nccc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999028 345199645 /nfs/dbraw/zinc/19/96/45/345199645.db2.gz PAVGVVYSIXBKHN-RYUDHWBXSA-N 1 0 236.363 1.491 10 0 BDAERO Cc1nc(C)c(C2=C[C@@H](O)C[NH2+]C2)s1 ZINC000675077795 537894616 /nfs/dbraw/zinc/89/46/16/537894616.db2.gz RHWNOCONLJTTOE-SECBINFHSA-N 1 0 210.302 1.107 10 0 BDAERO Cc1cn2c([nH+]1)N[C@H](C)C[C@@H]2C(F)F ZINC000720942916 537892497 /nfs/dbraw/zinc/89/24/97/537892497.db2.gz ZBRKEOIDIWMZEM-IYSWYEEDSA-N 1 0 201.220 1.535 10 0 BDAERO CCc1cn2c([nH+]1)N[C@@H](C)C[C@H]2C(F)F ZINC000720939990 537892568 /nfs/dbraw/zinc/89/25/68/537892568.db2.gz IKXQUEKTDROZID-XPUUQOCRSA-N 1 0 215.247 1.925 10 0 BDAERO [NH3+][C@H](Cc1ccco1)[C@H]1CSCCO1 ZINC000131657692 345304465 /nfs/dbraw/zinc/30/44/65/345304465.db2.gz WLUBTLFXGSULAF-NXEZZACHSA-N 1 0 213.302 1.281 10 0 BDAERO CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)CN ZINC000227728865 345355009 /nfs/dbraw/zinc/35/50/09/345355009.db2.gz RHRZYVGYHZTHSN-ZJUUUORDSA-N 1 0 245.367 1.227 10 0 BDAERO CN(C)Cc1ccc(Cl)cc1S(N)(=O)=O ZINC000133941838 345392017 /nfs/dbraw/zinc/39/20/17/345392017.db2.gz HAXLFCORNOFPJJ-UHFFFAOYSA-N 1 0 248.735 1.049 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1ccnc2cccnc21 ZINC000381359673 345496143 /nfs/dbraw/zinc/49/61/43/345496143.db2.gz KAGDDPXFLMDHCR-BDAKNGLRSA-N 1 0 216.288 1.199 10 0 BDAERO CC[C@@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616691972 345545314 /nfs/dbraw/zinc/54/53/14/345545314.db2.gz GXAKELVFPKMYJC-SNVBAGLBSA-N 1 0 205.305 1.656 10 0 BDAERO Cc1nc(N)sc1SC1C[NH2+]C1 ZINC000054931819 345561398 /nfs/dbraw/zinc/56/13/98/345561398.db2.gz NCXDYHVFUJAXIP-UHFFFAOYSA-N 1 0 201.320 1.098 10 0 BDAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc2c(c1)OCO2 ZINC000054929317 345565574 /nfs/dbraw/zinc/56/55/74/345565574.db2.gz SAHTVWWPNFTSTJ-GWCFXTLKSA-N 1 0 237.299 1.822 10 0 BDAERO Clc1cc(NCCc2ncc[nH]2)ncn1 ZINC000229343317 345519392 /nfs/dbraw/zinc/51/93/92/345519392.db2.gz OGYFGCGZKSOQKY-UHFFFAOYSA-N 1 0 223.667 1.508 10 0 BDAERO Cc1ccc([C@H](C)n2nnnc2C[NH3+])cc1 ZINC000054747967 178901931 /nfs/dbraw/zinc/90/19/31/178901931.db2.gz GIIZPZUANJRADQ-VIFPVBQESA-N 1 0 217.276 1.050 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2CCC[C@@H](C)[C@H]2C)C1 ZINC000050566839 537909501 /nfs/dbraw/zinc/90/95/01/537909501.db2.gz UELNKZHKADOCKJ-NDBYEHHHSA-N 1 0 226.364 1.484 10 0 BDAERO CC[N@@H+]1CC[C@](O)(c2ccccc2)[C@@H]1C ZINC000033610677 345806266 /nfs/dbraw/zinc/80/62/66/345806266.db2.gz XKKRLQVFJVVKGT-WCQYABFASA-N 1 0 205.301 1.988 10 0 BDAERO C[C@H]1CCn2cc([C@H]3CCC[NH2+]C3)nc2C1 ZINC000258176158 345780521 /nfs/dbraw/zinc/78/05/21/345780521.db2.gz DZQRCSTZIUNKGO-QWRGUYRKSA-N 1 0 219.332 1.932 10 0 BDAERO CNC(=O)Cn1c2ccccc2c2c1C[NH2+]CC2 ZINC000137386027 345843794 /nfs/dbraw/zinc/84/37/94/345843794.db2.gz RUMHTMNQOVBBRY-UHFFFAOYSA-N 1 0 243.310 1.033 10 0 BDAERO C[C@@](N)(C[NH3+])COc1ccc(F)c(F)c1 ZINC000219121854 345856845 /nfs/dbraw/zinc/85/68/45/345856845.db2.gz NIIVYAVIRMPYLZ-SNVBAGLBSA-N 1 0 216.231 1.020 10 0 BDAERO [NH3+][C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1 ZINC000034410678 345827150 /nfs/dbraw/zinc/82/71/50/345827150.db2.gz QCHGPWDFRLYQLQ-RWMBFGLXSA-N 1 0 227.348 1.416 10 0 BDAERO CN1CC[C@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000074174593 537915497 /nfs/dbraw/zinc/91/54/97/537915497.db2.gz FALAUYKCTAIKNT-NWDGAFQWSA-N 1 0 208.280 1.920 10 0 BDAERO CCc1nc(C)c(CN2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000335918660 345872194 /nfs/dbraw/zinc/87/21/94/345872194.db2.gz BSLYQWYHYOEWGB-GFCCVEGCSA-N 1 0 249.358 1.825 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1C ZINC000245435652 537918946 /nfs/dbraw/zinc/91/89/46/537918946.db2.gz SXQMCHNRAWUKAW-TUAOUCFPSA-N 1 0 224.348 1.585 10 0 BDAERO [NH3+]C1CN(C(=O)CCCc2ccccc2)C1 ZINC000082590471 345910514 /nfs/dbraw/zinc/91/05/14/345910514.db2.gz RMHPTLBKOCBBFW-UHFFFAOYSA-N 1 0 218.300 1.179 10 0 BDAERO [NH3+]C1CN(Cc2c(F)cccc2Cl)C1 ZINC000083634587 345919469 /nfs/dbraw/zinc/91/94/69/345919469.db2.gz KLCTXXLCXIDOKF-UHFFFAOYSA-N 1 0 214.671 1.622 10 0 BDAERO [NH3+]C1CN(Cc2ccccc2C(F)(F)F)C1 ZINC000083634643 345919474 /nfs/dbraw/zinc/91/94/74/345919474.db2.gz NPXYNLJBCHXBDS-UHFFFAOYSA-N 1 0 230.233 1.848 10 0 BDAERO Cc1ccnc(N2CC([NH3+])C2)c1Br ZINC000235918782 345965373 /nfs/dbraw/zinc/96/53/73/345965373.db2.gz ROWJJKVBIDRHFP-UHFFFAOYSA-N 1 0 242.120 1.300 10 0 BDAERO Cc1ccc(N2CC[NH+](C)CC2)c(CO)c1 ZINC000146263145 345965593 /nfs/dbraw/zinc/96/55/93/345965593.db2.gz CIOOHWWWVLGPQT-UHFFFAOYSA-N 1 0 220.316 1.239 10 0 BDAERO C[NH+]1CCN(Cc2cc(N)cc(F)c2)CC1 ZINC000166935299 345958552 /nfs/dbraw/zinc/95/85/52/345958552.db2.gz IBDPATGERIVFKG-UHFFFAOYSA-N 1 0 223.295 1.155 10 0 BDAERO Cc1occc1S[C@H]1COCC[C@H]1[NH3+] ZINC000235845877 345947243 /nfs/dbraw/zinc/94/72/43/345947243.db2.gz YEUJJEDNIQDWID-SCZZXKLOSA-N 1 0 213.302 1.796 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2CO)o1 ZINC000628218266 345948280 /nfs/dbraw/zinc/94/82/80/345948280.db2.gz ZPVAFKGUDFMOHS-JQWIXIFHSA-N 1 0 224.304 1.624 10 0 BDAERO c1nc2cnccc2n1CC[NH+]1CCCCC1 ZINC000095776641 346075661 /nfs/dbraw/zinc/07/56/61/346075661.db2.gz TYDNOYGGDHGHDJ-UHFFFAOYSA-N 1 0 230.315 1.917 10 0 BDAERO C[NH2+][C@H]1CCC[C@H](S(=O)(=O)C(C)C)C1 ZINC000082818629 537940311 /nfs/dbraw/zinc/94/03/11/537940311.db2.gz ZSOWRPZFHZCKFP-UWVGGRQHSA-N 1 0 219.350 1.340 10 0 BDAERO OC[C@]1(C[C@H]2CO2)CC[N@H+](Cc2ccccc2)C1 ZINC000669372064 537948365 /nfs/dbraw/zinc/94/83/65/537948365.db2.gz IBPJXRGVAQFUKV-GJZGRUSLSA-N 1 0 247.338 1.660 10 0 BDAERO Cc1ccc2nc3n(c(=O)c2c1)CCC[C@@H]3[NH3+] ZINC000072266486 178981272 /nfs/dbraw/zinc/98/12/72/178981272.db2.gz SVPKLQRQMMUYGX-JTQLQIEISA-N 1 0 229.283 1.499 10 0 BDAERO C[C@H]1CC(n2cc(C[NH3+])nn2)C[C@H](C)C1 ZINC000082833702 537945813 /nfs/dbraw/zinc/94/58/13/537945813.db2.gz YPXHEFVFVUXGKZ-RKDXNWHRSA-N 1 0 208.309 1.734 10 0 BDAERO O=C(N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CCC1 ZINC000669372041 537948797 /nfs/dbraw/zinc/94/87/97/537948797.db2.gz GOMWGOZXUMIXAN-HTQZYQBOSA-N 1 0 236.237 1.053 10 0 BDAERO C[C@H]1C[N@@H+]([C@@H]2CCCCC2=O)CCCO1 ZINC000061919873 346180310 /nfs/dbraw/zinc/18/03/10/346180310.db2.gz KKEIZMCCYCWQEP-WDEREUQCSA-N 1 0 211.305 1.609 10 0 BDAERO [NH3+]CCC(=O)Nc1cccnc1Br ZINC000236239659 346214064 /nfs/dbraw/zinc/21/40/64/346214064.db2.gz QAOGRZLGHUWTIQ-UHFFFAOYSA-N 1 0 244.092 1.131 10 0 BDAERO [NH3+]C[C@]12C[C@H](CN1C(=O)C1CC1)CCC2 ZINC000675051832 537962759 /nfs/dbraw/zinc/96/27/59/537962759.db2.gz VLXCOFBOGXVNHC-SKDRFNHKSA-N 1 0 208.305 1.126 10 0 BDAERO CO[C@@H](C)C[N@@H+]1CCC[NH2+]C(C)(C)C1 ZINC000167633671 346293305 /nfs/dbraw/zinc/29/33/05/346293305.db2.gz HDPXMEDBKBLORQ-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO Cc1cccc(C)c1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000274160843 179034769 /nfs/dbraw/zinc/03/47/69/179034769.db2.gz KXOQYNOVIPKPQV-CHWSQXEVSA-N 1 0 235.327 1.231 10 0 BDAERO CC(C)[C@@H](C)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000669378540 537968760 /nfs/dbraw/zinc/96/87/60/537968760.db2.gz GALLANPLMMVCFI-IJLUTSLNSA-N 1 0 226.364 1.640 10 0 BDAERO Cc1cccc(CC(=O)NC2CC([NH3+])C2)c1 ZINC000052136782 179052647 /nfs/dbraw/zinc/05/26/47/179052647.db2.gz YWPUTOYTSFEQAG-UHFFFAOYSA-N 1 0 218.300 1.143 10 0 BDAERO Cc1cc(C[N@@H+]2CC[C@H](CCO)C2)on1 ZINC000161584634 346338181 /nfs/dbraw/zinc/33/81/81/346338181.db2.gz JFZUNLBXMDFKFF-SNVBAGLBSA-N 1 0 210.277 1.187 10 0 BDAERO Cc1nnc(C[NH2+]CCc2cccc(C)c2)n1C ZINC000051669941 179058508 /nfs/dbraw/zinc/05/85/08/179058508.db2.gz ZYCRDZKGRCRLRP-UHFFFAOYSA-N 1 0 244.342 1.764 10 0 BDAERO [NH3+][C@@H](CO)Cc1cccc(F)c1Br ZINC000157757536 346385733 /nfs/dbraw/zinc/38/57/33/346385733.db2.gz WTJHHGANRPWYKA-SSDOTTSWSA-N 1 0 248.095 1.450 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000669379111 537974240 /nfs/dbraw/zinc/97/42/40/537974240.db2.gz XQOXHNFEQAMQTN-VHSXEESVSA-N 1 0 227.352 1.328 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000669379109 537975004 /nfs/dbraw/zinc/97/50/04/537975004.db2.gz XQOXHNFEQAMQTN-NXEZZACHSA-N 1 0 227.352 1.328 10 0 BDAERO CC[C@H](C(=O)C1CC1)[C@H]1COC[C@H](C)[NH2+]1 ZINC000308805807 537975463 /nfs/dbraw/zinc/97/54/63/537975463.db2.gz OKLYKFGARNRQLW-INTQDDNPSA-N 1 0 211.305 1.369 10 0 BDAERO C[C@@H]1CN(c2nc(Cl)cs2)CC[NH2+]1 ZINC000159566866 346425254 /nfs/dbraw/zinc/42/52/54/346425254.db2.gz JMUPSQUSVDXSNQ-ZCFIWIBFSA-N 1 0 217.725 1.595 10 0 BDAERO Cc1cccc(C[NH2+]C(C)(C)C(N)=O)c1 ZINC000040673975 179088216 /nfs/dbraw/zinc/08/82/16/179088216.db2.gz QLERCZICVCQJOW-UHFFFAOYSA-N 1 0 206.289 1.349 10 0 BDAERO Cc1cccc(CN2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000051576609 179082640 /nfs/dbraw/zinc/08/26/40/179082640.db2.gz NNIPQDNDOSZGLB-MFKMUULPSA-N 1 0 219.332 1.559 10 0 BDAERO C(NC1=[NH+]CCC1)[C@H]1CSCCS1 ZINC000229598367 346441046 /nfs/dbraw/zinc/44/10/46/346441046.db2.gz DSWPXKFCCXRRAQ-QMMMGPOBSA-N 1 0 216.375 1.617 10 0 BDAERO CCC(F)(F)CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000641798253 362740138 /nfs/dbraw/zinc/74/01/38/362740138.db2.gz CWSWNRVGGRGBMS-UWVGGRQHSA-N 1 0 234.290 1.094 10 0 BDAERO [NH3+][C@@H]1COC[C@@H]1C(=O)c1sccc1Cl ZINC000229957818 346481561 /nfs/dbraw/zinc/48/15/61/346481561.db2.gz KIDHMDRVKHLJDW-CAHLUQPWSA-N 1 0 231.704 1.558 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCS[C@@H](C)C1 ZINC000187170377 346559555 /nfs/dbraw/zinc/55/95/55/346559555.db2.gz WZRGBMJBPFYPBR-ZJUUUORDSA-N 1 0 203.351 1.706 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC000103652812 346527841 /nfs/dbraw/zinc/52/78/41/346527841.db2.gz VHFSIZUPLZTDSV-GFCCVEGCSA-N 1 0 237.347 1.865 10 0 BDAERO CSC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000300814036 346549231 /nfs/dbraw/zinc/54/92/31/346549231.db2.gz HPVDCESHJKAAGW-VHSXEESVSA-N 1 0 242.388 1.468 10 0 BDAERO CSC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000300814033 346549482 /nfs/dbraw/zinc/54/94/82/346549482.db2.gz HPVDCESHJKAAGW-UWVGGRQHSA-N 1 0 242.388 1.468 10 0 BDAERO CCCC(=O)N[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669380021 537984583 /nfs/dbraw/zinc/98/45/83/537984583.db2.gz FUCDXSZNSCMABP-RXMQYKEDSA-N 1 0 248.195 1.428 10 0 BDAERO Cc1cccc(N2C[C@@H](C[NH3+])CC2=O)c1C ZINC000019669486 179124069 /nfs/dbraw/zinc/12/40/69/179124069.db2.gz QBDDZZNCEQGHKR-LLVKDONJSA-N 1 0 218.300 1.615 10 0 BDAERO C[C@@H]([NH3+])C[C@H](O)c1ccc(F)cc1F ZINC000164167380 346594225 /nfs/dbraw/zinc/59/42/25/346594225.db2.gz MBUXOMSGPPYECY-LDWIPMOCSA-N 1 0 201.216 1.736 10 0 BDAERO C[C@H]([NH3+])[C@@H](N1CCCCO1)C(F)(F)F ZINC000164196433 346595313 /nfs/dbraw/zinc/59/53/13/346595313.db2.gz MWCYYBMJXPNWCD-NKWVEPMBSA-N 1 0 212.215 1.292 10 0 BDAERO NC(=[NH2+])c1cc(O)ccc1C(F)(F)F ZINC000164322382 346600744 /nfs/dbraw/zinc/60/07/44/346600744.db2.gz BVXIPQPRGSQSRY-UHFFFAOYSA-N 1 0 204.151 1.695 10 0 BDAERO OCC1C[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000164438094 346605027 /nfs/dbraw/zinc/60/50/27/346605027.db2.gz SMSKKGCDTAFMKP-SSDOTTSWSA-N 1 0 210.104 1.104 10 0 BDAERO CSC1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000300927389 346663514 /nfs/dbraw/zinc/66/35/14/346663514.db2.gz ZJQMTUBNGMSMGK-LLVKDONJSA-N 1 0 244.404 1.714 10 0 BDAERO Cc1cccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)n1 ZINC000335598877 179138644 /nfs/dbraw/zinc/13/86/44/179138644.db2.gz YRGRDOKVXFGUMG-WDEREUQCSA-N 1 0 233.315 1.717 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589644395 346724780 /nfs/dbraw/zinc/72/47/80/346724780.db2.gz JKWSLPPHQMOUAD-WDEREUQCSA-N 1 0 245.326 1.956 10 0 BDAERO Cc1cccc(NCCc2nccn2C)[nH+]1 ZINC000040639638 179147213 /nfs/dbraw/zinc/14/72/13/179147213.db2.gz XJZHPCZZIAWUPO-UHFFFAOYSA-N 1 0 216.288 1.778 10 0 BDAERO CC[C@H](C)[C@@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242570 537986449 /nfs/dbraw/zinc/98/64/49/537986449.db2.gz IHUIZHHLFUJLCX-JOYOIKCWSA-N 1 0 207.321 1.827 10 0 BDAERO Cc1cccc(OCC[C@@H]([NH3+])CO)c1C ZINC000071511944 179169637 /nfs/dbraw/zinc/16/96/37/179169637.db2.gz RXPUSOAQJLBGTF-LLVKDONJSA-N 1 0 209.289 1.392 10 0 BDAERO Cc1cccc(OC[C@H](O)[C@H]2CCCC[NH2+]2)c1 ZINC000034246857 179172444 /nfs/dbraw/zinc/17/24/44/179172444.db2.gz PMIQTCHQVGVLMI-KGLIPLIRSA-N 1 0 235.327 1.877 10 0 BDAERO CC[C@@H]([NH2+][C@H](C)c1cncc(F)c1)C(N)=O ZINC000309721046 347148728 /nfs/dbraw/zinc/14/87/28/347148728.db2.gz WBVXJDMNHRRPQE-GMSGAONNSA-N 1 0 225.267 1.135 10 0 BDAERO Cc1cccc(O[C@@H]2COCC[C@H]2[NH3+])c1 ZINC000036305799 179174945 /nfs/dbraw/zinc/17/49/45/179174945.db2.gz FTTFWXDHIOOEAG-VXGBXAGGSA-N 1 0 207.273 1.490 10 0 BDAERO CC[C@@]1(C2CCC2)[NH2+]CCc2ncn(C)c21 ZINC000725242746 537986943 /nfs/dbraw/zinc/98/69/43/537986943.db2.gz OXADMWAMRMKEMQ-ZDUSSCGKSA-N 1 0 219.332 1.971 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N2CCC[C@H](CO)C2)c1 ZINC000042966582 179184028 /nfs/dbraw/zinc/18/40/28/179184028.db2.gz STQODJPDBJWHLO-DZGCQCFKSA-N 1 0 248.370 1.699 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N(CCO)C(C)C)c1 ZINC000042967495 179184201 /nfs/dbraw/zinc/18/42/01/179184201.db2.gz KTJXMJHPTSFXKH-CQSZACIVSA-N 1 0 236.359 1.698 10 0 BDAERO Cc1cccc([C@@H]([NH3+])C2CCOCC2)n1 ZINC000068957876 179184976 /nfs/dbraw/zinc/18/49/76/179184976.db2.gz TVLPWBNMCSALND-LBPRGKRZSA-N 1 0 206.289 1.816 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])n2ccnc2)c1 ZINC000042967741 179185062 /nfs/dbraw/zinc/18/50/62/179185062.db2.gz QYJKLPBGQIITFP-GFCCVEGCSA-N 1 0 201.273 1.740 10 0 BDAERO Cc1cccc([C@@H]([NH2+]CC2CC2)C(N)=O)c1C ZINC000043315337 179185889 /nfs/dbraw/zinc/18/58/89/179185889.db2.gz TUMBHQAWPWMUFJ-CYBMUJFWSA-N 1 0 232.327 1.829 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000382192703 347226207 /nfs/dbraw/zinc/22/62/07/347226207.db2.gz HVJLLMLPUYZUDW-YNEHKIRRSA-N 1 0 227.348 1.696 10 0 BDAERO CC[S@](=O)[C@@H]1CCCC(C)(C)[C@H]1[NH3+] ZINC000250236822 362796762 /nfs/dbraw/zinc/79/67/62/362796762.db2.gz IONNOYZXILPWFN-ZDMBXUJBSA-N 1 0 203.351 1.661 10 0 BDAERO OCc1ccnc(N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000250245843 362797131 /nfs/dbraw/zinc/79/71/31/362797131.db2.gz LVQMSGDIGMERFH-ZDUSSCGKSA-N 1 0 247.342 1.248 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000669380263 537988277 /nfs/dbraw/zinc/98/82/77/537988277.db2.gz JNRDOQUDFNTRQY-RQJHMYQMSA-N 1 0 241.257 1.220 10 0 BDAERO Cc1cc2nc([C@H]3CCC[NH2+]3)nn2c(O)c1 ZINC000725243036 537987791 /nfs/dbraw/zinc/98/77/91/537987791.db2.gz GTNYYIFGAXBEIP-MRVPVSSYSA-N 1 0 218.260 1.168 10 0 BDAERO CC(C)C[N@H+](C)[C@H]1CC2(CC[C@H]1O)OCCO2 ZINC000250603304 362812833 /nfs/dbraw/zinc/81/28/33/362812833.db2.gz UEYKDGAQOGWXQR-NWDGAFQWSA-N 1 0 243.347 1.231 10 0 BDAERO c1cc2c(o1)[C@]1(C[C@@H]3COC[C@H]31)[NH2+]CC2 ZINC000725242908 537988384 /nfs/dbraw/zinc/98/83/84/537988384.db2.gz WVRSOCCSOGJEDQ-CKYFFXLPSA-N 1 0 205.257 1.287 10 0 BDAERO CN([C@H]1CCC[NH2+]C1)[C@H]1CCCSC1 ZINC000250367557 362801151 /nfs/dbraw/zinc/80/11/51/362801151.db2.gz GLPYGXUNLWJIJI-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO C[N@H+](C[C@@H]1CCCO1)[C@H]1CCCC(=O)C1 ZINC000250371964 362802201 /nfs/dbraw/zinc/80/22/01/362802201.db2.gz HKOUIPQXDZOGLY-JQWIXIFHSA-N 1 0 211.305 1.609 10 0 BDAERO Oc1cc(C2CC2)cc2nc([C@@H]3CCC[NH2+]3)nn21 ZINC000725242960 537988173 /nfs/dbraw/zinc/98/81/73/537988173.db2.gz CMFFYMVLFFDPRZ-JTQLQIEISA-N 1 0 244.298 1.737 10 0 BDAERO COC[C@@H](C)C[NH2+]C[C@H]1CCCN1CC(C)C ZINC000188158554 347274320 /nfs/dbraw/zinc/27/43/20/347274320.db2.gz SSRVKGLYBUDOQS-UONOGXRCSA-N 1 0 242.407 1.979 10 0 BDAERO CN1CC[C@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000250665171 362815724 /nfs/dbraw/zinc/81/57/24/362815724.db2.gz ZNNQCWIOVOIHTC-RCOVLWMOSA-N 1 0 245.120 1.746 10 0 BDAERO Cc1cccc2c1S(=O)(=O)C[C@H](C)[C@@H]2[NH3+] ZINC000037665957 179222855 /nfs/dbraw/zinc/22/28/55/179222855.db2.gz WHAKFFXABRNGFF-WPRPVWTQSA-N 1 0 225.313 1.418 10 0 BDAERO Cc1cccc2c1S(=O)(=O)[C@@H](C)C[C@H]2[NH3+] ZINC000037665956 179222901 /nfs/dbraw/zinc/22/29/01/179222901.db2.gz AERSWKTWPUNHOR-WCBMZHEXSA-N 1 0 225.313 1.561 10 0 BDAERO Cc1cccc2c1O[C@@H](C[NH+](C)C)CC2=O ZINC000039109904 179223170 /nfs/dbraw/zinc/22/31/70/179223170.db2.gz HSRJQMDNMWIMCU-SNVBAGLBSA-N 1 0 219.284 1.890 10 0 BDAERO CCOCCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000388383097 347375157 /nfs/dbraw/zinc/37/51/57/347375157.db2.gz UTCUIAOVDFMZGQ-RYUDHWBXSA-N 1 0 242.363 1.307 10 0 BDAERO CCOCCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000388383096 347375584 /nfs/dbraw/zinc/37/55/84/347375584.db2.gz UTCUIAOVDFMZGQ-NWDGAFQWSA-N 1 0 242.363 1.307 10 0 BDAERO COC1(C[NH2+][C@@H]2CCCN[C@H]2C)CCCC1 ZINC000396634479 362826886 /nfs/dbraw/zinc/82/68/86/362826886.db2.gz ZAZKAIDGFQMLIV-NWDGAFQWSA-N 1 0 226.364 1.676 10 0 BDAERO Cc1c[nH+]ccc1N1CC[C@H](N2CCOCC2)C1 ZINC000192628630 347379335 /nfs/dbraw/zinc/37/93/35/347379335.db2.gz WWQLYAYYKRAPGV-ZDUSSCGKSA-N 1 0 247.342 1.301 10 0 BDAERO Cc1nc(Cl)c(C)c(NN(C)C)[nH+]1 ZINC000149620269 347380895 /nfs/dbraw/zinc/38/08/95/347380895.db2.gz ZZYHFOWNDGRUGO-UHFFFAOYSA-N 1 0 200.673 1.635 10 0 BDAERO Cc1cccc2c1OCCC[C@H]2NCC[NH3+] ZINC000037713007 179221672 /nfs/dbraw/zinc/22/16/72/179221672.db2.gz WLZIFIMHPDTAEA-GFCCVEGCSA-N 1 0 220.316 1.757 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@@H](C)S1 ZINC000088033473 362836205 /nfs/dbraw/zinc/83/62/05/362836205.db2.gz SYYSDIHSAXGMTO-MXWKQRLJSA-N 1 0 242.388 1.338 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1[S@](=O)C1CCCC1 ZINC000251086930 362837345 /nfs/dbraw/zinc/83/73/45/362837345.db2.gz HUXMMPIRRUDLCA-NURSFMCSSA-N 1 0 215.362 1.805 10 0 BDAERO Cc1cccc2sc([C@H]([NH3+])CCO)nc21 ZINC000083039262 179234721 /nfs/dbraw/zinc/23/47/21/179234721.db2.gz RQDSLFZLFJTMLG-MRVPVSSYSA-N 1 0 222.313 1.987 10 0 BDAERO c1nc2c([nH]1)[C@]1(C[C@@H]3CCC[C@H]31)[NH2+]CC2 ZINC000725242906 537989929 /nfs/dbraw/zinc/98/99/29/537989929.db2.gz VWRAIKALEBQLGH-YGOYTEALSA-N 1 0 203.289 1.571 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)CCCC(C)C ZINC000054076477 347434800 /nfs/dbraw/zinc/43/48/00/347434800.db2.gz SGDNJEDEENULOM-GHMZBOCLSA-N 1 0 214.353 1.925 10 0 BDAERO C[C@H](C[N@@H+]1CCCC[C@@H]1C)C(N)=S ZINC000036677580 347435523 /nfs/dbraw/zinc/43/55/23/347435523.db2.gz FQCKFXBIJNQWKJ-BDAKNGLRSA-N 1 0 200.351 1.783 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(C)CC1 ZINC000616568445 347447269 /nfs/dbraw/zinc/44/72/69/347447269.db2.gz BNPMIFGNOZNLQM-VHSXEESVSA-N 1 0 210.321 1.291 10 0 BDAERO CN(C)CC(=O)Nc1cccnc1Cl ZINC000014218211 362843262 /nfs/dbraw/zinc/84/32/62/362843262.db2.gz KIMWRPFWZMWCCI-UHFFFAOYSA-N 1 0 213.668 1.235 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2cc(C)ccc2F)C(=O)O1 ZINC000616568808 347471554 /nfs/dbraw/zinc/47/15/54/347471554.db2.gz NCXSVCJOEBRKHL-SECBINFHSA-N 1 0 238.262 1.679 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000308368752 347513313 /nfs/dbraw/zinc/51/33/13/347513313.db2.gz JIQQHYHENFSMEJ-POYBYMJQSA-N 1 0 246.104 1.513 10 0 BDAERO Cc1ccccc1CCN1CC[NH2+]CC1 ZINC000019801362 179263983 /nfs/dbraw/zinc/26/39/83/179263983.db2.gz HDNYKLHRVSTELJ-UHFFFAOYSA-N 1 0 204.317 1.443 10 0 BDAERO Cc1ccn([C@H](C[NH3+])C(F)(F)C(F)(F)F)n1 ZINC000616569315 347648072 /nfs/dbraw/zinc/64/80/72/347648072.db2.gz JFJDQHMHGZOVTE-ZCFIWIBFSA-N 1 0 243.179 1.889 10 0 BDAERO CSCC1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000591374997 347650013 /nfs/dbraw/zinc/65/00/13/347650013.db2.gz NLBLBGOHZXCPDQ-VQXHTEKXSA-N 1 0 242.388 1.386 10 0 BDAERO Cc1ccccc1CNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104209710 179280059 /nfs/dbraw/zinc/28/00/59/179280059.db2.gz KUDFKIKIGUZTON-YPMHNXCESA-N 1 0 232.327 1.467 10 0 BDAERO CC[C@@H](C)[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000592392286 347776104 /nfs/dbraw/zinc/77/61/04/347776104.db2.gz VJCXNWMWKAWFIV-MNOVXSKESA-N 1 0 200.326 1.047 10 0 BDAERO Cc1ccccc1C[C@@H](C)NC(=O)C1C[NH2+]C1 ZINC000091415144 179289108 /nfs/dbraw/zinc/28/91/08/179289108.db2.gz OXKMHHLCXASVME-LLVKDONJSA-N 1 0 232.327 1.262 10 0 BDAERO Cc1ccccc1C[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000041232871 179289909 /nfs/dbraw/zinc/28/99/09/179289909.db2.gz GIEABJNJEUYXCA-ZIAGYGMSSA-N 1 0 219.328 1.898 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000200966146 347862969 /nfs/dbraw/zinc/86/29/69/347862969.db2.gz FKLZEEJLXNGKQP-GZMMTYOYSA-N 1 0 206.245 1.918 10 0 BDAERO C=CC(=O)N1CCCc2c(C[NH3+])cccc21 ZINC000616570023 347883721 /nfs/dbraw/zinc/88/37/21/347883721.db2.gz DWTKALROWJBDEF-UHFFFAOYSA-N 1 0 216.284 1.611 10 0 BDAERO C[NH+](C)[C@@H]1CCCN(C(=O)OC2CC2)C1 ZINC000669381894 537995090 /nfs/dbraw/zinc/99/50/90/537995090.db2.gz ZGTMCEGUCQFBRG-SECBINFHSA-N 1 0 212.293 1.311 10 0 BDAERO Cc1ccccc1[C@@H](O)C[NH2+]CCN(C)C ZINC000032014365 179325883 /nfs/dbraw/zinc/32/58/83/179325883.db2.gz UXLKPUSGQXWRKL-ZDUSSCGKSA-N 1 0 222.332 1.180 10 0 BDAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCC(O)CC1 ZINC000043033639 179327694 /nfs/dbraw/zinc/32/76/94/179327694.db2.gz XXEGIDCOVRQDOD-SWLSCSKDSA-N 1 0 248.370 1.840 10 0 BDAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])n1cncn1 ZINC000043037686 179328925 /nfs/dbraw/zinc/32/89/25/179328925.db2.gz DHPRJZLNGFMTLL-CMPLNLGQSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1ccccc1[C@H](C)NC(=O)NCC[NH+](C)C ZINC000133315918 179336394 /nfs/dbraw/zinc/33/63/94/179336394.db2.gz HNXXQMIOBZZZJZ-LBPRGKRZSA-N 1 0 249.358 1.917 10 0 BDAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000151910168 179348999 /nfs/dbraw/zinc/34/89/99/179348999.db2.gz UMLDVCWVMJKQHW-OLZOCXBDSA-N 1 0 246.354 1.952 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])N1CCO[C@H](C)C1 ZINC000019259886 179342250 /nfs/dbraw/zinc/34/22/50/179342250.db2.gz WBJJSOXVOWTWNP-OCCSQVGLSA-N 1 0 234.343 1.716 10 0 BDAERO O[C@H](C[NH2+]C1CCC1)C(Cl)(Cl)Cl ZINC000669382192 537997648 /nfs/dbraw/zinc/99/76/48/537997648.db2.gz IJYLWWRKBYUJOQ-ZCFIWIBFSA-N 1 0 232.538 1.860 10 0 BDAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)NCCCC[NH3+] ZINC000237683123 179350376 /nfs/dbraw/zinc/35/03/76/179350376.db2.gz UJUYKBOERXGIKG-ZIAGYGMSSA-N 1 0 246.354 1.954 10 0 BDAERO Cc1ccccc1[S@@](=O)[C@@H]1CC[NH2+]C1 ZINC000083296179 179352868 /nfs/dbraw/zinc/35/28/68/179352868.db2.gz FXHIYZWOGFEOBJ-QMTHXVAHSA-N 1 0 209.314 1.465 10 0 BDAERO C=CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000616571495 348199717 /nfs/dbraw/zinc/19/97/17/348199717.db2.gz LQBKLOMWSCTHRW-SNVBAGLBSA-N 1 0 216.284 1.652 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000253178897 348241718 /nfs/dbraw/zinc/24/17/18/348241718.db2.gz CIEDRVVPQFBVCC-RWMBFGLXSA-N 1 0 226.364 1.485 10 0 BDAERO Cc1cccnc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282201213 179383829 /nfs/dbraw/zinc/38/38/29/179383829.db2.gz CPKZFLZAIRYCFN-MNOVXSKESA-N 1 0 233.315 1.147 10 0 BDAERO C[C@@H]1CSC(N[C@H]2CCO[C@H]2C)=[NH+]1 ZINC000251668571 362896272 /nfs/dbraw/zinc/89/62/72/362896272.db2.gz HGIOMHBZZCIKAN-CSMHCCOUSA-N 1 0 200.307 1.245 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2CCO[C@H]2C)=[NH+]1 ZINC000251668574 362896297 /nfs/dbraw/zinc/89/62/97/362896297.db2.gz HGIOMHBZZCIKAN-GJMOJQLCSA-N 1 0 200.307 1.245 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N1CC[C@H](C)C1 ZINC000251629477 362891731 /nfs/dbraw/zinc/89/17/31/362891731.db2.gz IGCUGPVNNCDINQ-IVZWLZJFSA-N 1 0 200.351 1.032 10 0 BDAERO C[C@@H]1CC[NH2+][C@H]([C@H]2CCCOC2)S1 ZINC000251754536 362906569 /nfs/dbraw/zinc/90/65/69/362906569.db2.gz SQQQPWBSRQIVFY-UTLUCORTSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]1CC[S@](=O)[C@H]2CCCC[C@H]2[NH2+]1 ZINC000251764616 362908996 /nfs/dbraw/zinc/90/89/96/362908996.db2.gz UMLQFHBTSAQLHQ-DNJQJEMRSA-N 1 0 201.335 1.428 10 0 BDAERO C[C@@H]1C[NH2+][C@H]([C@H]2CCCOC2)SC1 ZINC000251761314 362909030 /nfs/dbraw/zinc/90/90/30/362909030.db2.gz LVPNKWRGIOCQIR-UTLUCORTSA-N 1 0 201.335 1.712 10 0 BDAERO CC(C)[NH2+]CC(=O)N[C@H](C)c1cccs1 ZINC000037389745 348404337 /nfs/dbraw/zinc/40/43/37/348404337.db2.gz MFRPASRZDQUHPF-SECBINFHSA-N 1 0 226.345 1.923 10 0 BDAERO CC(C)n1cncc1-c1cnc(N)nc1 ZINC000725246247 538006190 /nfs/dbraw/zinc/00/61/90/538006190.db2.gz SORSCGRLNMGLPW-UHFFFAOYSA-N 1 0 203.249 1.503 10 0 BDAERO COC(=O)[C@]1(C)OC12CCC([NH+](C)C)CC2 ZINC000669382728 538005760 /nfs/dbraw/zinc/00/57/60/538005760.db2.gz KMPXGHDXRKTMSP-ZYXZCXLHSA-N 1 0 227.304 1.191 10 0 BDAERO Cc1cnc(C[N@@H+]2CCC[C@H]2CCCO)cn1 ZINC000336705665 179592488 /nfs/dbraw/zinc/59/24/88/179592488.db2.gz NTMDAKNDENNCNK-ZDUSSCGKSA-N 1 0 235.331 1.522 10 0 BDAERO C[C@H]([NH3+])CCNc1ncnc2[nH]ccc21 ZINC000420153714 192164567 /nfs/dbraw/zinc/16/45/67/192164567.db2.gz HFMSCWMWYQVPAB-ZETCQYMHSA-N 1 0 205.265 1.059 10 0 BDAERO CC(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000669383631 538010316 /nfs/dbraw/zinc/01/03/16/538010316.db2.gz WDBSRVDFNKLERS-GFCCVEGCSA-N 1 0 224.348 1.635 10 0 BDAERO COc1ccc(OC)c2c1NC[C@@]21C[C@@H]1[NH3+] ZINC000725247485 538013996 /nfs/dbraw/zinc/01/39/96/538013996.db2.gz OFKMSOPHRVQJRO-JOYOIKCWSA-N 1 0 220.272 1.098 10 0 BDAERO COc1cc2c(cc1F)[C@@]1(C[C@@H]1[NH3+])CN2 ZINC000725247634 538013092 /nfs/dbraw/zinc/01/30/92/538013092.db2.gz SNHFPBAKCHRYHS-WDEREUQCSA-N 1 0 208.236 1.229 10 0 BDAERO [NH3+][C@@H]1C[C@@]12CNc1c2cccc1Br ZINC000725247798 538013862 /nfs/dbraw/zinc/01/38/62/538013862.db2.gz YRXFCNXEVBUZDD-SCZZXKLOSA-N 1 0 239.116 1.843 10 0 BDAERO [NH3+][C@H]1C[C@]12CNc1cc(Br)ccc12 ZINC000725247704 538014297 /nfs/dbraw/zinc/01/42/97/538014297.db2.gz UXHVNSJAFVDQKV-VHSXEESVSA-N 1 0 239.116 1.843 10 0 BDAERO CC(C)N1C[C@]2(C[C@@H]2[NH3+])c2ccccc21 ZINC000725247767 538014536 /nfs/dbraw/zinc/01/45/36/538014536.db2.gz XNHUYAIGNDWBJC-QWHCGFSZSA-N 1 0 202.301 1.884 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000054072466 348888374 /nfs/dbraw/zinc/88/83/74/348888374.db2.gz IJHVHAYLDSPAGH-DGCLKSJQSA-N 1 0 232.327 1.958 10 0 BDAERO CN(Cc1ccncc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306125 348979193 /nfs/dbraw/zinc/97/91/93/348979193.db2.gz OXWHGXUYKKYYTR-ZDUSSCGKSA-N 1 0 247.342 1.430 10 0 BDAERO CC[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCO1 ZINC000054290870 348962991 /nfs/dbraw/zinc/96/29/91/348962991.db2.gz BBGSHZOBAKNJGN-NEPJUHHUSA-N 1 0 240.347 1.014 10 0 BDAERO Cc1cnn(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1 ZINC000052576993 179742418 /nfs/dbraw/zinc/74/24/18/179742418.db2.gz VFJKYXFRBXTPTA-QWHCGFSZSA-N 1 0 235.331 1.491 10 0 BDAERO c1coc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)c1 ZINC000054445266 349033783 /nfs/dbraw/zinc/03/37/83/349033783.db2.gz CJSVNJRDASLJJV-SECBINFHSA-N 1 0 233.271 1.872 10 0 BDAERO CC(C)(C)n1nnnc1[C@H]1CCCC[NH2+]1 ZINC000616573723 349072306 /nfs/dbraw/zinc/07/23/06/349072306.db2.gz KNBGXIHFWPYSGT-MRVPVSSYSA-N 1 0 209.297 1.243 10 0 BDAERO C[C@H](C(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1)C(C)(C)C ZINC000616574089 349076524 /nfs/dbraw/zinc/07/65/24/349076524.db2.gz XAOAVOFANAPWTA-GBIKHYSHSA-N 1 0 224.348 1.618 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000055028411 349083896 /nfs/dbraw/zinc/08/38/96/349083896.db2.gz HCECSCMCDGLYFU-CYBMUJFWSA-N 1 0 239.315 1.737 10 0 BDAERO CCN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246329117 349103203 /nfs/dbraw/zinc/10/32/03/349103203.db2.gz GCGPKPQLRSAJRU-MNOVXSKESA-N 1 0 227.352 1.376 10 0 BDAERO C/C=C/C(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616571803 349061209 /nfs/dbraw/zinc/06/12/09/349061209.db2.gz SAIASDZWJICAKF-OOIFCOQQSA-N 1 0 244.338 1.906 10 0 BDAERO C[C@H](C(=O)N[C@]12CC[C@@H]1C[NH2+]C2)C(C)(C)C ZINC000616572791 349063287 /nfs/dbraw/zinc/06/32/87/349063287.db2.gz OVPUZDVGWNROKW-BREBYQMCSA-N 1 0 224.348 1.537 10 0 BDAERO CC[C@H]1CCN(C(=O)C2CCC2)C[C@@H]1[NH3+] ZINC000616572955 349064255 /nfs/dbraw/zinc/06/42/55/349064255.db2.gz XTXGKCLEYVGZPB-ONGXEEELSA-N 1 0 210.321 1.372 10 0 BDAERO CC[C@@H]1CCN(C(=O)CC2CC2)C[C@H]1[NH3+] ZINC000616573009 349064415 /nfs/dbraw/zinc/06/44/15/349064415.db2.gz YKZGQIPHHZVJCE-GHMZBOCLSA-N 1 0 210.321 1.372 10 0 BDAERO CCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616572989 349064642 /nfs/dbraw/zinc/06/46/42/349064642.db2.gz VTUWDBIEUSFBLL-BQBZGAKWSA-N 1 0 224.226 1.053 10 0 BDAERO CC1(C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000616572201 349064885 /nfs/dbraw/zinc/06/48/85/349064885.db2.gz PSOXKFBJOWUAQE-ZJUUUORDSA-N 1 0 208.305 1.139 10 0 BDAERO CCC[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000053485907 349065329 /nfs/dbraw/zinc/06/53/29/349065329.db2.gz CRACBFFWVLRGJV-NEPJUHHUSA-N 1 0 214.353 1.485 10 0 BDAERO CC(C)C(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616572306 349065785 /nfs/dbraw/zinc/06/57/85/349065785.db2.gz KKQHFUKDJUZKBM-SNVBAGLBSA-N 1 0 220.316 1.979 10 0 BDAERO C1CC([NH2+][C@@H]2CCCN3CCSC[C@@H]23)C1 ZINC000616577859 349119297 /nfs/dbraw/zinc/11/92/97/349119297.db2.gz NBQHHXHIKAZOPC-NEPJUHHUSA-N 1 0 226.389 1.708 10 0 BDAERO COCCC[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000616577813 349119689 /nfs/dbraw/zinc/11/96/89/349119689.db2.gz MLPBOILRFJWZBJ-NWDGAFQWSA-N 1 0 244.404 1.192 10 0 BDAERO Cc1csc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000051883161 179790949 /nfs/dbraw/zinc/79/09/49/179790949.db2.gz FCMZNEPVPAIHQD-SECBINFHSA-N 1 0 212.318 1.830 10 0 BDAERO CC(C)(C)[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000616579464 349163213 /nfs/dbraw/zinc/16/32/13/349163213.db2.gz UDFYENLKFDNLER-WDEREUQCSA-N 1 0 228.405 1.954 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000308954659 349201616 /nfs/dbraw/zinc/20/16/16/349201616.db2.gz WUFVENBSICLGPI-GZMMTYOYSA-N 1 0 213.227 1.435 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000308953003 349201660 /nfs/dbraw/zinc/20/16/60/349201660.db2.gz VYTJHNXVZHSWBA-GZMMTYOYSA-N 1 0 213.227 1.435 10 0 BDAERO COC1(C[NH2+][C@@H]2C[C@H]2CO)CCCCC1 ZINC000308970639 349260448 /nfs/dbraw/zinc/26/04/48/349260448.db2.gz ZEXCSCHAHCNFIR-WDEREUQCSA-N 1 0 213.321 1.306 10 0 BDAERO CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000388627202 349275392 /nfs/dbraw/zinc/27/53/92/349275392.db2.gz HNPUVOCHNQMCLL-DDHJBXDOSA-N 1 0 224.348 1.537 10 0 BDAERO Cc1nc(-c2ccccn2)nc(C)c1C[NH3+] ZINC000020397205 179867142 /nfs/dbraw/zinc/86/71/42/179867142.db2.gz GNWIXGMJCKGEJZ-UHFFFAOYSA-N 1 0 214.272 1.614 10 0 BDAERO CCC[C@@H](C)N(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070622107 350031861 /nfs/dbraw/zinc/03/18/61/350031861.db2.gz SZMHWBUJBDGEFO-ZYHUDNBSSA-N 1 0 212.337 1.776 10 0 BDAERO [NH3+]C1(CN2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000088131095 191000685 /nfs/dbraw/zinc/00/06/85/191000685.db2.gz BVOKCFLLEFOMAC-UHFFFAOYSA-N 1 0 249.333 1.439 10 0 BDAERO CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000070613371 350029793 /nfs/dbraw/zinc/02/97/93/350029793.db2.gz IHHMDKWMUFYUSE-GHMZBOCLSA-N 1 0 212.337 1.633 10 0 BDAERO [NH3+]Cc1ccc(NC(=O)c2ccon2)cc1 ZINC000131519704 191014336 /nfs/dbraw/zinc/01/43/36/191014336.db2.gz USGJVOABNHEYKI-UHFFFAOYSA-N 1 0 217.228 1.386 10 0 BDAERO Cc1cc(Cl)cc([C@H]([NH3+])CO)c1N ZINC000072197888 191004406 /nfs/dbraw/zinc/00/44/06/191004406.db2.gz WUWOHVDIOKVBGY-MRVPVSSYSA-N 1 0 200.669 1.223 10 0 BDAERO Cc1cc(Cl)cc([C@@H]([NH3+])CO)c1N ZINC000072197889 191004991 /nfs/dbraw/zinc/00/49/91/191004991.db2.gz WUWOHVDIOKVBGY-QMMMGPOBSA-N 1 0 200.669 1.223 10 0 BDAERO CC[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]2CO)CCO1 ZINC000382335895 350107533 /nfs/dbraw/zinc/10/75/33/350107533.db2.gz YCTBCERJIMZDTP-NOOOWODRSA-N 1 0 213.321 1.162 10 0 BDAERO CCNC(=O)NC[C@@H]([NH3+])C1CCC(C)(C)CC1 ZINC000725255018 538050121 /nfs/dbraw/zinc/05/01/21/538050121.db2.gz OHGKSTNKPZNQFW-LLVKDONJSA-N 1 0 241.379 1.849 10 0 BDAERO Cc1nc(N2CCOC[C@@H]2C)sc1C[NH3+] ZINC000054997312 180002245 /nfs/dbraw/zinc/00/22/45/180002245.db2.gz JOMQWOXHSXRTOH-ZETCQYMHSA-N 1 0 227.333 1.135 10 0 BDAERO CC(C)Oc1cncc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000071176095 350090321 /nfs/dbraw/zinc/09/03/21/350090321.db2.gz ZRHCXWFHJHQREL-JTQLQIEISA-N 1 0 236.319 1.428 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccnn2)C1 ZINC000151728851 538050623 /nfs/dbraw/zinc/05/06/23/538050623.db2.gz YTGGLTZHVHHWHC-JTQLQIEISA-N 1 0 249.318 1.082 10 0 BDAERO CC(C)NC(=O)NCC1([NH3+])C[C@H](C)C[C@@H](C)C1 ZINC000725254969 538049973 /nfs/dbraw/zinc/04/99/73/538049973.db2.gz LZHPEUKCSSNZLE-GHMZBOCLSA-N 1 0 241.379 1.848 10 0 BDAERO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](C)O)cs1 ZINC000249471398 180045884 /nfs/dbraw/zinc/04/58/84/180045884.db2.gz HFLXBFVBYPKXAP-KWQFWETISA-N 1 0 226.345 1.969 10 0 BDAERO Cc1[nH+]c2cc(Br)ccn2c1N ZINC000082695073 180076682 /nfs/dbraw/zinc/07/66/82/180076682.db2.gz UDDHZYSARXLARN-UHFFFAOYSA-N 1 0 226.077 1.987 10 0 BDAERO C[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)N(C)C1CC1 ZINC000304248913 350150689 /nfs/dbraw/zinc/15/06/89/350150689.db2.gz QHQHOFGKUPLWQO-ZYHUDNBSSA-N 1 0 228.380 1.466 10 0 BDAERO c1cc(-c2cc3n(n2)CC[NH2+]C3)cs1 ZINC000409438911 350138313 /nfs/dbraw/zinc/13/83/13/350138313.db2.gz PLJAEWKBBRUOEH-UHFFFAOYSA-N 1 0 205.286 1.715 10 0 BDAERO Cc1nc2ccc(CCCN(C)CC[NH3+])cc2o1 ZINC000077418245 180090185 /nfs/dbraw/zinc/09/01/85/180090185.db2.gz MZVAYZQJQUCWCK-UHFFFAOYSA-N 1 0 247.342 1.959 10 0 BDAERO Cc1nc2cccnc2n1[C@@H]1CC[NH2+]C1 ZINC000075972789 180107324 /nfs/dbraw/zinc/10/73/24/180107324.db2.gz KNKGGHJZHSOIEE-SECBINFHSA-N 1 0 202.261 1.274 10 0 BDAERO Cc1ncc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)s1 ZINC000309053382 180126419 /nfs/dbraw/zinc/12/64/19/180126419.db2.gz RFCPZPHNJCDFLA-HTRCEHHLSA-N 1 0 225.317 1.013 10 0 BDAERO Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cn1 ZINC000309740921 180153434 /nfs/dbraw/zinc/15/34/34/180153434.db2.gz DGLJVKMJLXLVJN-CABZTGNLSA-N 1 0 221.304 1.442 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2O)s1 ZINC000040998117 180156240 /nfs/dbraw/zinc/15/62/40/180156240.db2.gz YEVJATSYJVDYCI-MNOVXSKESA-N 1 0 226.345 1.845 10 0 BDAERO Cc1ncc([C@@H]2C[NH+]3CCC2CC3)cn1 ZINC000003796759 180174417 /nfs/dbraw/zinc/17/44/17/180174417.db2.gz KFBBCDJPHCQEHY-GFCCVEGCSA-N 1 0 203.289 1.594 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)n1 ZINC000163344644 180191754 /nfs/dbraw/zinc/19/17/54/180191754.db2.gz VFORLHPKEDKHEZ-GHMZBOCLSA-N 1 0 221.304 1.034 10 0 BDAERO Cc1nccc(N[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000054936777 180206001 /nfs/dbraw/zinc/20/60/01/180206001.db2.gz HWXJZVMQDNLOOJ-UWVGGRQHSA-N 1 0 206.293 1.467 10 0 BDAERO Cc1nccc(CNC2=[NH+]C[C@@H](C3CC3)S2)n1 ZINC000071307804 180187813 /nfs/dbraw/zinc/18/78/13/180187813.db2.gz OEHZOMKVGIUWEH-NSHDSACASA-N 1 0 248.355 1.756 10 0 BDAERO Cc1ncccc1O[C@H](C)C1=[NH+]CCN1 ZINC000027715445 180227758 /nfs/dbraw/zinc/22/77/58/180227758.db2.gz OCIJHICNVUUHJR-SECBINFHSA-N 1 0 205.261 1.159 10 0 BDAERO CC(C)(C)OC(=O)N1CC(NCCF)C1 ZINC000215605864 350240568 /nfs/dbraw/zinc/24/05/68/350240568.db2.gz ZMAZGRQRJQNJRJ-UHFFFAOYSA-N 1 0 218.272 1.165 10 0 BDAERO Cc1nccn1CC[N@H+](CCN)C1CCCC1 ZINC000042428379 180252478 /nfs/dbraw/zinc/25/24/78/180252478.db2.gz NOSUFEIDJNMHJC-UHFFFAOYSA-N 1 0 236.363 1.395 10 0 BDAERO Cc1nccn1CCN1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000104159232 180256784 /nfs/dbraw/zinc/25/67/84/180256784.db2.gz AVSFVSXBAUYPKX-WCQYABFASA-N 1 0 236.363 1.393 10 0 BDAERO CN(CC(F)(F)F)[C@H]1CCCC[C@@H]1[NH3+] ZINC000037664433 350286425 /nfs/dbraw/zinc/28/64/25/350286425.db2.gz LRUDURRJVIEBAT-YUMQZZPRSA-N 1 0 210.243 1.750 10 0 BDAERO CN1CCN([C@H]2CCCCCC2=O)CC1 ZINC000037660911 350283153 /nfs/dbraw/zinc/28/31/53/350283153.db2.gz HECYKPXXDGXWKU-NSHDSACASA-N 1 0 210.321 1.136 10 0 BDAERO Cc1nccn1Cc1ccc(C(N)=[NH2+])cc1F ZINC000019516338 180270127 /nfs/dbraw/zinc/27/01/27/180270127.db2.gz CLARFKVWIRQNMK-UHFFFAOYSA-N 1 0 232.262 1.663 10 0 BDAERO Cc1nccn1[C@@H](C[NH3+])c1cccs1 ZINC000043107015 180271804 /nfs/dbraw/zinc/27/18/04/180271804.db2.gz GTBPPOFBUWIDLH-VIFPVBQESA-N 1 0 207.302 1.801 10 0 BDAERO Cc1csc(CNC2CC[NH2+]CC2)n1 ZINC000038091163 350304442 /nfs/dbraw/zinc/30/44/42/350304442.db2.gz DIQMMRLGHAVWCL-UHFFFAOYSA-N 1 0 211.334 1.293 10 0 BDAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000309344738 350326991 /nfs/dbraw/zinc/32/69/91/350326991.db2.gz WFAIMIFAPNDYTP-GHMZBOCLSA-N 1 0 229.364 1.941 10 0 BDAERO CC(C)n1ccc(C[NH2+]C[C@H](O)C(C)(C)C)n1 ZINC000324546465 350307099 /nfs/dbraw/zinc/30/70/99/350307099.db2.gz SXTSFBTXXCGVLF-LBPRGKRZSA-N 1 0 239.363 1.961 10 0 BDAERO Cc1nccnc1N[C@H]1CC[C@H]([NH3+])CC1 ZINC000100260192 180279819 /nfs/dbraw/zinc/27/98/19/180279819.db2.gz XBFGIHCHCAJOQZ-AOOOYVTPSA-N 1 0 206.293 1.467 10 0 BDAERO Cc1ncn(-c2ccc(C[NH3+])cc2)c1C ZINC000051925514 180285945 /nfs/dbraw/zinc/28/59/45/180285945.db2.gz LBDHVUUXVGMHAK-UHFFFAOYSA-N 1 0 201.273 1.948 10 0 BDAERO C[C@@H]1C[S@](=O)[C@H]2CCC(C)(C)[C@H]2[NH2+]1 ZINC000251856237 362954490 /nfs/dbraw/zinc/95/44/90/362954490.db2.gz RZSNLWZOGXVWLJ-LWIGBJQBSA-N 1 0 201.335 1.284 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1c1noc(-c2ccncc2)n1 ZINC000076051630 350346802 /nfs/dbraw/zinc/34/68/02/350346802.db2.gz BJBQBJKNUXIXGE-VHSXEESVSA-N 1 0 230.271 1.726 10 0 BDAERO O[C@]1(c2cccc(Br)c2)CC[NH2+]C1 ZINC000212586265 538090055 /nfs/dbraw/zinc/09/00/55/538090055.db2.gz CUESKQLGGLPUKC-SNVBAGLBSA-N 1 0 242.116 1.630 10 0 BDAERO CC(C)OC(=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000309398127 350368407 /nfs/dbraw/zinc/36/84/07/350368407.db2.gz VRPPMNFSGRBBHR-GHMZBOCLSA-N 1 0 229.320 1.221 10 0 BDAERO Cc1ccnc(C[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000327966273 350365744 /nfs/dbraw/zinc/36/57/44/350365744.db2.gz DXGZTIHURGQOMB-GFCCVEGCSA-N 1 0 222.332 1.887 10 0 BDAERO Cc1ncsc1CCOCCCC(N)=[NH2+] ZINC000019438465 180310995 /nfs/dbraw/zinc/31/09/95/180310995.db2.gz RFILFAUJYIWAEM-UHFFFAOYSA-N 1 0 227.333 1.727 10 0 BDAERO Cc1nn(-c2ccc(C[NH3+])nn2)c(C)c1Cl ZINC000051487540 180327466 /nfs/dbraw/zinc/32/74/66/180327466.db2.gz DSYIMSXHHAZNQI-UHFFFAOYSA-N 1 0 237.694 1.391 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+]CC(=O)N(C)C ZINC000037254431 180327712 /nfs/dbraw/zinc/32/77/12/180327712.db2.gz ZVEUQLMHXDHJFU-ZETCQYMHSA-N 1 0 227.333 1.190 10 0 BDAERO C[N@@H+]1CCC[C@H]1CNc1cc(Cl)ncn1 ZINC000226138308 350402541 /nfs/dbraw/zinc/40/25/41/350402541.db2.gz MVHCBAGHBKDHJW-QMMMGPOBSA-N 1 0 226.711 1.636 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1C(=O)c1cccnc1 ZINC000226476598 350434548 /nfs/dbraw/zinc/43/45/48/350434548.db2.gz YRYOBBXZKRTQHE-MNOVXSKESA-N 1 0 204.273 1.782 10 0 BDAERO Cc1nn(C)c(C)c1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000335035762 180345080 /nfs/dbraw/zinc/34/50/80/180345080.db2.gz YSIZEWIIUXQQRK-LDYMZIIASA-N 1 0 222.336 1.447 10 0 BDAERO CC(C)CNC(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725264629 538091966 /nfs/dbraw/zinc/09/19/66/538091966.db2.gz YWPQTPCJDOKCPA-AAEUAGOBSA-N 1 0 239.363 1.616 10 0 BDAERO [NH3+][C@@H]1CCCC12CCN(C(=O)C1CCC1)CC2 ZINC000725265169 538092001 /nfs/dbraw/zinc/09/20/01/538092001.db2.gz LJULLKCGHCFDDA-GFCCVEGCSA-N 1 0 236.359 1.907 10 0 BDAERO CCCCNC(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000725264422 538092035 /nfs/dbraw/zinc/09/20/35/538092035.db2.gz MHWBKKQYNSDKEV-WCQYABFASA-N 1 0 239.363 1.760 10 0 BDAERO CC[N@H+](Cc1ccccn1)CC1(O)CCC1 ZINC000336683848 350439246 /nfs/dbraw/zinc/43/92/46/350439246.db2.gz SYLGASYAFGXLDK-UHFFFAOYSA-N 1 0 220.316 1.819 10 0 BDAERO Cc1nn(C)c(Oc2cccnc2)c1C[C@H](C)[NH3+] ZINC000104297569 180361164 /nfs/dbraw/zinc/36/11/64/180361164.db2.gz TVRRTFYGZDSPPX-VIFPVBQESA-N 1 0 246.314 1.806 10 0 BDAERO C[NH2+][C@@H](CN1CCCC1)c1cccc(N)c1 ZINC000034475804 350468981 /nfs/dbraw/zinc/46/89/81/350468981.db2.gz ZOBYKCQQZPGZHY-ZDUSSCGKSA-N 1 0 219.332 1.625 10 0 BDAERO Cc1nn(C)cc1C[C@@H]([NH3+])Cc1ccccc1 ZINC000082348571 180377337 /nfs/dbraw/zinc/37/73/37/180377337.db2.gz FNKVAJNQMBGAHJ-AWEZNQCLSA-N 1 0 229.327 1.841 10 0 BDAERO CCOC1(C(F)(F)F)CCN(C(N)=[NH2+])CC1 ZINC000409431720 350477319 /nfs/dbraw/zinc/47/73/19/350477319.db2.gz KCOMVCDZWOTCKZ-UHFFFAOYSA-N 1 0 239.241 1.313 10 0 BDAERO C[NH2+]Cc1cc(-c2cccnc2)nn1CCF ZINC000409442855 350483645 /nfs/dbraw/zinc/48/36/45/350483645.db2.gz CCKOEUKEJHXXQC-UHFFFAOYSA-N 1 0 234.278 1.634 10 0 BDAERO Cc1nn(Cc2noc(C3CC3)n2)c(C)c1C[NH3+] ZINC000049337932 180392016 /nfs/dbraw/zinc/39/20/16/180392016.db2.gz AQZCRVSVDPOVLV-UHFFFAOYSA-N 1 0 247.302 1.267 10 0 BDAERO Cc1nn([C@@H]2COCC[C@@H]2[NH3+])c(C)c1C ZINC000040729324 180392107 /nfs/dbraw/zinc/39/21/07/180392107.db2.gz OMWCMAUBNWDRNR-WDEREUQCSA-N 1 0 209.293 1.097 10 0 BDAERO Cc1nn([C@@H](C)C[NH3+])c(C)c1Br ZINC000050589266 180392214 /nfs/dbraw/zinc/39/22/14/180392214.db2.gz KFRLJDQNOCZCHI-YFKPBYRVSA-N 1 0 232.125 1.782 10 0 BDAERO Cc1nnc(-n2cc(Cl)cn2)c(C[NH3+])c1C ZINC000040290486 180395694 /nfs/dbraw/zinc/39/56/94/180395694.db2.gz YMCDLXTVSOUUTA-UHFFFAOYSA-N 1 0 237.694 1.391 10 0 BDAERO Cc1nnc(-n2ncc3c2CCC[C@@H]3[NH3+])s1 ZINC000072415763 180396222 /nfs/dbraw/zinc/39/62/22/180396222.db2.gz UCHWELRUZWMICL-QMMMGPOBSA-N 1 0 235.316 1.368 10 0 BDAERO Cc1nn(C[C@@H]2CCCO2)c(C)c1[C@H](C)[NH3+] ZINC000054716437 180390812 /nfs/dbraw/zinc/39/08/12/180390812.db2.gz JZMIKRBVBOGNNH-KWQFWETISA-N 1 0 223.320 1.699 10 0 BDAERO C/C(=C/Cl)CN1CCC[NH2+][C@@H](C)C1 ZINC000308112858 350520962 /nfs/dbraw/zinc/52/09/62/350520962.db2.gz QYEZPTNIQOPFCZ-MBACFSSFSA-N 1 0 202.729 1.813 10 0 BDAERO CC(C)([NH3+])Cc1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266444 538094846 /nfs/dbraw/zinc/09/48/46/538094846.db2.gz ZPUYDDTXYSBQHA-UHFFFAOYSA-N 1 0 240.307 1.040 10 0 BDAERO CCOc1ccc([C@H]([NH3+])CO)cc1OC ZINC000041225517 350588242 /nfs/dbraw/zinc/58/82/42/350588242.db2.gz YVWGJVRRSJCJRJ-SECBINFHSA-N 1 0 211.261 1.086 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616595561 350609043 /nfs/dbraw/zinc/60/90/43/350609043.db2.gz WXFDGCIQOQJITF-GFCCVEGCSA-N 1 0 234.299 1.179 10 0 BDAERO CCOC(=O)[C@H]1CC[N@@H+](C(C)C)CCO1 ZINC000616595832 350611595 /nfs/dbraw/zinc/61/15/95/350611595.db2.gz ZAFAMJCSJXYPNK-SNVBAGLBSA-N 1 0 215.293 1.049 10 0 BDAERO Cc1noc(-c2ccc(CC[NH3+])cc2)n1 ZINC000036908817 180458790 /nfs/dbraw/zinc/45/87/90/180458790.db2.gz XEXVDHLSSVYONG-UHFFFAOYSA-N 1 0 203.245 1.546 10 0 BDAERO c1ccc2nnc([C@H]3C[NH2+]CCOC3)cc2c1 ZINC000616597086 350635728 /nfs/dbraw/zinc/63/57/28/350635728.db2.gz GJVRIDJMRJBJHH-NSHDSACASA-N 1 0 229.283 1.333 10 0 BDAERO CC(C)(C)OC(=O)[C@@]1(O)CCC(C)(C)C[C@@H]1[NH3+] ZINC000725267245 538097593 /nfs/dbraw/zinc/09/75/93/538097593.db2.gz POCSOBFYZKHPLQ-TVQRCGJNSA-N 1 0 243.347 1.597 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccncc2)C1 ZINC000616598022 350653543 /nfs/dbraw/zinc/65/35/43/350653543.db2.gz NBWYAVLTFIVJRJ-ZDUSSCGKSA-N 1 0 220.316 1.906 10 0 BDAERO CC(C)(C)CCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000309512371 350685480 /nfs/dbraw/zinc/68/54/80/350685480.db2.gz PYDFIMYDXMSJPM-JTQLQIEISA-N 1 0 212.337 1.538 10 0 BDAERO CC[C@@H]1C[S@](=O)C[C@@H](C2(C)CC2)[NH2+]1 ZINC000228591439 350815426 /nfs/dbraw/zinc/81/54/26/350815426.db2.gz GOMLSXRYQDQWMG-ZDMBXUJBSA-N 1 0 201.335 1.286 10 0 BDAERO CSc1ccsc1C(=O)N[C@@H]1C[C@@H]1[NH3+] ZINC000306673404 350819515 /nfs/dbraw/zinc/81/95/15/350819515.db2.gz NOTIYYMNYSXEPZ-NTSWFWBYSA-N 1 0 228.342 1.299 10 0 BDAERO CSc1ccsc1C(=O)N[C@H]1C[C@@H]1[NH3+] ZINC000306673407 350819712 /nfs/dbraw/zinc/81/97/12/350819712.db2.gz NOTIYYMNYSXEPZ-WDSKDSINSA-N 1 0 228.342 1.299 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ncco2)CC1 ZINC000616601299 350782410 /nfs/dbraw/zinc/78/24/10/350782410.db2.gz NNMXQGPPWSOIEG-SNVBAGLBSA-N 1 0 210.277 1.236 10 0 BDAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccccc1CCO ZINC000616603174 350788855 /nfs/dbraw/zinc/78/88/55/350788855.db2.gz FWKILUAMMMRCRS-OAHLLOKOSA-N 1 0 248.370 1.576 10 0 BDAERO C[N@@H+]1CCCC[C@H](c2cccc(N)n2)C1 ZINC000616603664 350790071 /nfs/dbraw/zinc/79/00/71/350790071.db2.gz YBRRVXYEPGVTSG-JTQLQIEISA-N 1 0 205.305 1.863 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2cncnc2)CC1 ZINC000616602277 350791037 /nfs/dbraw/zinc/79/10/37/350791037.db2.gz WVMYNGRKHMCANV-LLVKDONJSA-N 1 0 221.304 1.038 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1cccc2cnccc21 ZINC000616605139 350794128 /nfs/dbraw/zinc/79/41/28/350794128.db2.gz TWPPAJDRPXCHLX-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1ccc2cccnc2c1 ZINC000616605201 350794309 /nfs/dbraw/zinc/79/43/09/350794309.db2.gz WOHNYNKBXUJOFE-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO C[N@@H+]1CCC[C@@H]1c1ccc(CCO)cc1 ZINC000616607638 350802060 /nfs/dbraw/zinc/80/20/60/350802060.db2.gz WGPCARBESMRMBU-CYBMUJFWSA-N 1 0 205.301 1.988 10 0 BDAERO [NH3+]CCN1CCC[C@@H]1c1cccc2ccnnc21 ZINC000616608640 350805530 /nfs/dbraw/zinc/80/55/30/350805530.db2.gz YEXHHOIOFBJOBD-CYBMUJFWSA-N 1 0 242.326 1.725 10 0 BDAERO [NH3+]CCN1CCC[C@H]1c1cccc2ccnnc21 ZINC000616608585 350805577 /nfs/dbraw/zinc/80/55/77/350805577.db2.gz YEXHHOIOFBJOBD-ZDUSSCGKSA-N 1 0 242.326 1.725 10 0 BDAERO CC[C@@H]1CN([C@@H]2CCS[C@@H]2C)CC[NH2+]1 ZINC000306677535 350831011 /nfs/dbraw/zinc/83/10/11/350831011.db2.gz ZBMNVSMJWQNRFT-GMTAPVOTSA-N 1 0 214.378 1.564 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616614365 350831795 /nfs/dbraw/zinc/83/17/95/350831795.db2.gz LDYVZTKYXVJIRI-CYBMUJFWSA-N 1 0 232.327 1.983 10 0 BDAERO CC(=O)Nc1ccc([C@@H]2CCN(CC[NH3+])C2)cc1 ZINC000616614889 350842097 /nfs/dbraw/zinc/84/20/97/350842097.db2.gz ZTZRQBRVJVMYEF-CYBMUJFWSA-N 1 0 247.342 1.393 10 0 BDAERO NC(=O)c1ccc([C@H]2CCCCN2CC[NH3+])cc1 ZINC000616615462 350847098 /nfs/dbraw/zinc/84/70/98/350847098.db2.gz YUWJYWXQFQAEIB-CYBMUJFWSA-N 1 0 247.342 1.271 10 0 BDAERO Nc1ncccc1[C@@H]1CCCC[N@@H+]1CCO ZINC000616616678 350856870 /nfs/dbraw/zinc/85/68/70/350856870.db2.gz SPHFKQLUCZZARN-NSHDSACASA-N 1 0 221.304 1.183 10 0 BDAERO N[C@H](C[NH3+])c1csc(Br)c1 ZINC000306709189 350860106 /nfs/dbraw/zinc/86/01/06/350860106.db2.gz LLLPDNIJJSNFLR-RXMQYKEDSA-N 1 0 221.123 1.469 10 0 BDAERO CC1(C)[C@@H](O)CC[N@@H+]1[C@@H]1CCCCC1=O ZINC000306675672 350827811 /nfs/dbraw/zinc/82/78/11/350827811.db2.gz TXPSBFAMABBGDK-KOLCDFICSA-N 1 0 211.305 1.343 10 0 BDAERO [NH3+][C@@H]1CCN(C[C@H]2CCCSC2)C1 ZINC000306730750 350900041 /nfs/dbraw/zinc/90/00/41/350900041.db2.gz PUINPPUZGHJFPV-NXEZZACHSA-N 1 0 200.351 1.163 10 0 BDAERO CO[C@@]1(C)CC[N@H+](C[C@H]2CCCC2=O)C1 ZINC000306731582 350901010 /nfs/dbraw/zinc/90/10/10/350901010.db2.gz QUKGONIBPCVHBT-PWSUYJOCSA-N 1 0 211.305 1.466 10 0 BDAERO C[C@@H]([NH3+])C(C)(C)NC(=O)NC(C)(C)C ZINC000128936722 350902602 /nfs/dbraw/zinc/90/26/02/350902602.db2.gz QUJKXTJRZUBRFI-SSDOTTSWSA-N 1 0 201.314 1.210 10 0 BDAERO C[C@@H]1SCC[C@H]1Nc1cccc(N)[nH+]1 ZINC000306734924 350904910 /nfs/dbraw/zinc/90/49/10/350904910.db2.gz VJMFGDXXARCQMH-JGVFFNPUSA-N 1 0 209.318 1.970 10 0 BDAERO O[C@H](c1ccccc1Br)C1C[NH2+]C1 ZINC000306735397 350907244 /nfs/dbraw/zinc/90/72/44/350907244.db2.gz WABYGUNVOFAVFL-JTQLQIEISA-N 1 0 242.116 1.702 10 0 BDAERO C[NH2+][C@@H]1C[C@H](C)C[C@H](C)[C@H]1[S@](C)=O ZINC000252470403 350912447 /nfs/dbraw/zinc/91/24/47/350912447.db2.gz BMPNERQYOMRPNE-MGWGEXEUSA-N 1 0 203.351 1.388 10 0 BDAERO C[C@H]([NH3+])[C@]1(CCO)CCCS[C@H]1C ZINC000252659365 350913814 /nfs/dbraw/zinc/91/38/14/350913814.db2.gz ZDDSJTKOGRPALS-LPEHRKFASA-N 1 0 203.351 1.618 10 0 BDAERO COc1ccc(Br)cc1NC(N)=[NH2+] ZINC000052091927 350916546 /nfs/dbraw/zinc/91/65/46/350916546.db2.gz MIUQODAPKSZPMJ-UHFFFAOYSA-N 1 0 244.092 1.763 10 0 BDAERO [NH3+]CCN1CCC(c2ccc(CO)cc2)CC1 ZINC000616619158 350926857 /nfs/dbraw/zinc/92/68/57/350926857.db2.gz HKALXSOOZIYMBF-UHFFFAOYSA-N 1 0 234.343 1.317 10 0 BDAERO OCCc1ccccc1C1CC[NH+](CCO)CC1 ZINC000616619995 350929363 /nfs/dbraw/zinc/92/93/63/350929363.db2.gz TYMILVWUKQMPRI-UHFFFAOYSA-N 1 0 249.354 1.393 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000616617695 350872020 /nfs/dbraw/zinc/87/20/20/350872020.db2.gz DXFIVTOUQHREOC-VIFPVBQESA-N 1 0 208.309 1.783 10 0 BDAERO CCC1CCC([N@H+](C)CCN(C)CCO)CC1 ZINC000623091734 350876165 /nfs/dbraw/zinc/87/61/65/350876165.db2.gz QCEZNUCGHKGGGL-UHFFFAOYSA-N 1 0 242.407 1.811 10 0 BDAERO C[C@H]1CCC[C@](O)(C[NH2+]C2CSC2)C1 ZINC000306720522 350878982 /nfs/dbraw/zinc/87/89/82/350878982.db2.gz ZPIUXSJRCSLAEE-GXSJLCMTSA-N 1 0 215.362 1.633 10 0 BDAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1(O)CO ZINC000306719914 350880433 /nfs/dbraw/zinc/88/04/33/350880433.db2.gz YTHJMOVLIZQVDW-YPMHNXCESA-N 1 0 221.300 1.004 10 0 BDAERO C[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000250454026 350881154 /nfs/dbraw/zinc/88/11/54/350881154.db2.gz WDEVTXFLMOBNIE-UWVGGRQHSA-N 1 0 200.351 1.033 10 0 BDAERO CCNC(=[NH2+])N1CCc2sccc2C1 ZINC000052037095 350890248 /nfs/dbraw/zinc/89/02/48/350890248.db2.gz APMPXHURRNIQLK-UHFFFAOYSA-N 1 0 209.318 1.650 10 0 BDAERO CC(C)NC(=[NH2+])N(C)[C@@H]1CCSC1 ZINC000052037780 350891095 /nfs/dbraw/zinc/89/10/95/350891095.db2.gz NPKXIHBJFWVJDS-MRVPVSSYSA-N 1 0 201.339 1.356 10 0 BDAERO CC1(C)CC[C@@]1([NH2+]Cc1ccccc1)C(N)=O ZINC000306723922 350891829 /nfs/dbraw/zinc/89/18/29/350891829.db2.gz HVLLEONZENZWSG-CQSZACIVSA-N 1 0 232.327 1.820 10 0 BDAERO CCC(=O)[C@H](C)[N@@H+]1CCSC[C@H]1C ZINC000251198296 350893071 /nfs/dbraw/zinc/89/30/71/350893071.db2.gz FTXXHXXDYHWPST-BDAKNGLRSA-N 1 0 201.335 1.791 10 0 BDAERO C[C@H]([NH3+])c1csc(-c2cn(C)cn2)n1 ZINC000306724790 350894032 /nfs/dbraw/zinc/89/40/32/350894032.db2.gz JFWRUIHUUVQTDH-LURJTMIESA-N 1 0 208.290 1.563 10 0 BDAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@@H]([S@](C)=O)C1 ZINC000251368094 350895735 /nfs/dbraw/zinc/89/57/35/350895735.db2.gz WPVRJLSKKCVYTG-QYTUQVAYSA-N 1 0 203.351 1.517 10 0 BDAERO CC(C)([NH3+])[C@H](O)c1ccc(Br)cn1 ZINC000129105300 350989059 /nfs/dbraw/zinc/98/90/59/350989059.db2.gz YUWIQMZLDGBWGV-MRVPVSSYSA-N 1 0 245.120 1.615 10 0 BDAERO CC(C)[S@@](=O)N(CC[NH3+])Cc1ccccc1 ZINC000306772317 351009419 /nfs/dbraw/zinc/00/94/19/351009419.db2.gz DEUOAMRFKACCDT-MRXNPFEDSA-N 1 0 240.372 1.519 10 0 BDAERO CC[N@H+](C)C[C@@H](O)CNCc1ccccc1 ZINC000306769792 350998624 /nfs/dbraw/zinc/99/86/24/350998624.db2.gz AOMBCDICBMZYPE-ZDUSSCGKSA-N 1 0 222.332 1.089 10 0 BDAERO CC[C@H]1CN(CC(F)(F)F)CC[C@H]1[NH3+] ZINC000251931066 362990675 /nfs/dbraw/zinc/99/06/75/362990675.db2.gz ZGKBAUWEGBLTGM-JGVFFNPUSA-N 1 0 210.243 1.608 10 0 BDAERO COc1ccccc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079510073 351067563 /nfs/dbraw/zinc/06/75/63/351067563.db2.gz SZMRTPGCWRWKDG-CYBMUJFWSA-N 1 0 234.299 1.776 10 0 BDAERO Nc1ncc([C@H](F)[C@H]2CCC[NH2+]C2)s1 ZINC000159898770 351023097 /nfs/dbraw/zinc/02/30/97/351023097.db2.gz ZBILBYBDFJIOOS-POYBYMJQSA-N 1 0 215.297 1.736 10 0 BDAERO Nc1ncc(C2(F)CC[NH2+]CC2)s1 ZINC000159895629 351023219 /nfs/dbraw/zinc/02/32/19/351023219.db2.gz OHAVNYLMAINHIB-UHFFFAOYSA-N 1 0 201.270 1.274 10 0 BDAERO CS(C)(=O)=NC[C@H]1CCCC[C@H]1[NH3+] ZINC000306788222 351038659 /nfs/dbraw/zinc/03/86/59/351038659.db2.gz WZJQGNFGOBBBAV-RKDXNWHRSA-N 1 0 204.339 1.232 10 0 BDAERO COCc1ccccc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079513255 351067501 /nfs/dbraw/zinc/06/75/01/351067501.db2.gz JAQDMGXTROKECJ-CQSZACIVSA-N 1 0 248.326 1.914 10 0 BDAERO [NH3+]C[C@@H](CO)c1ncc(Cl)cc1Cl ZINC000063065283 351045497 /nfs/dbraw/zinc/04/54/97/351045497.db2.gz LOSBLPHTVYIIIJ-YFKPBYRVSA-N 1 0 221.087 1.423 10 0 BDAERO Cc1ncc(C(=O)[C@H]2CCC[C@H]2[NH3+])n1C ZINC000306807645 351060716 /nfs/dbraw/zinc/06/07/16/351060716.db2.gz MXZBJEFSVOKUJV-DTWKUNHWSA-N 1 0 207.277 1.039 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2cccc3nnccc32)C1 ZINC000616626629 351106304 /nfs/dbraw/zinc/10/63/04/351106304.db2.gz UBNBZAGGWLVXMR-LLVKDONJSA-N 1 0 242.326 1.378 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccno2)C1 ZINC000616631849 351108697 /nfs/dbraw/zinc/10/86/97/351108697.db2.gz GRYXYUMXWWIUKF-SECBINFHSA-N 1 0 209.293 1.419 10 0 BDAERO CCN1CC[NH2+][C@H](c2cccc(CCO)c2)C1 ZINC000616631914 351109875 /nfs/dbraw/zinc/10/98/75/351109875.db2.gz AKKHLBKSBDSMKZ-AWEZNQCLSA-N 1 0 234.343 1.188 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cn[nH]c2)C1 ZINC000616632108 351109938 /nfs/dbraw/zinc/10/99/38/351109938.db2.gz LOBJWZYJFLQDLN-SNVBAGLBSA-N 1 0 208.309 1.155 10 0 BDAERO CN1CC[NH2+][C@H](c2ccc3nnccc3c2)C1 ZINC000616632037 351110084 /nfs/dbraw/zinc/11/00/84/351110084.db2.gz FCAVBIRAMLVASF-ZDUSSCGKSA-N 1 0 228.299 1.206 10 0 BDAERO [NH3+]CCN1CCC[C@H]1c1cccc2nnccc21 ZINC000616632248 351110922 /nfs/dbraw/zinc/11/09/22/351110922.db2.gz LMSMOYHYEFJWOL-AWEZNQCLSA-N 1 0 242.326 1.725 10 0 BDAERO CCN1CC[NH2+][C@@H](c2cccc3ccnnc32)C1 ZINC000616632470 351112387 /nfs/dbraw/zinc/11/23/87/351112387.db2.gz RMBXAZMNNRLCFC-CYBMUJFWSA-N 1 0 242.326 1.596 10 0 BDAERO CC[N@@H+]1CCN[C@H](c2ccccc2OC)C1 ZINC000616633017 351114656 /nfs/dbraw/zinc/11/46/56/351114656.db2.gz WNQKWBUMMYQDDD-LBPRGKRZSA-N 1 0 220.316 1.661 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ncco2)C1 ZINC000616633482 351115387 /nfs/dbraw/zinc/11/53/87/351115387.db2.gz AVNZTEFSLMROON-VIFPVBQESA-N 1 0 209.293 1.419 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cccc(CO)c2)C1 ZINC000616633606 351115549 /nfs/dbraw/zinc/11/55/49/351115549.db2.gz CSQOANDUXIMOFD-AWEZNQCLSA-N 1 0 248.370 1.924 10 0 BDAERO c1nnoc1[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616635190 351118745 /nfs/dbraw/zinc/11/87/45/351118745.db2.gz DQZWDIUOPIGOQS-LBPRGKRZSA-N 1 0 244.298 1.216 10 0 BDAERO Cc1nn(C[C@@H](C)[NH3+])c(C)c1Br ZINC000222856202 351124111 /nfs/dbraw/zinc/12/41/11/351124111.db2.gz YSXKLNFNBYMSGL-RXMQYKEDSA-N 1 0 232.125 1.610 10 0 BDAERO Cc1cocc1C(=O)C[C@H]1COCC[NH2+]1 ZINC000306812176 351081711 /nfs/dbraw/zinc/08/17/11/351081711.db2.gz YLWOXHXTDKPXGU-VIFPVBQESA-N 1 0 209.245 1.149 10 0 BDAERO [NH3+]CCN1CCCCC[C@@H]1c1ccccn1 ZINC000616622907 351087731 /nfs/dbraw/zinc/08/77/31/351087731.db2.gz ACWRCODQVJOEOP-CYBMUJFWSA-N 1 0 219.332 1.957 10 0 BDAERO [NH3+]CCN1CCCCC[C@@H]1c1ccncn1 ZINC000616623764 351090388 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/nfs/dbraw/zinc/18/27/85/351182785.db2.gz BLATVPRXIAWRJT-LBPRGKRZSA-N 1 0 229.283 1.681 10 0 BDAERO CCOC(=O)N1CCCC[C@@H]([NH+](C)C)C1 ZINC000616650553 351184333 /nfs/dbraw/zinc/18/43/33/351184333.db2.gz GILXILQMESORPA-SNVBAGLBSA-N 1 0 214.309 1.559 10 0 BDAERO CC[N@@H+]1CCCO[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616652793 351185933 /nfs/dbraw/zinc/18/59/33/351185933.db2.gz KNBOSVHVJAFNOX-CYBMUJFWSA-N 1 0 248.326 1.569 10 0 BDAERO CCOC(=O)[C@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616653433 351186096 /nfs/dbraw/zinc/18/60/96/351186096.db2.gz OXFBJQKXRUUHAR-SNVBAGLBSA-N 1 0 229.320 1.439 10 0 BDAERO CC(=O)Nc1cccc([C@@H]2C[NH2+]CCCO2)c1 ZINC000616652909 351187209 /nfs/dbraw/zinc/18/72/09/351187209.db2.gz RFSHFQMXZKRXGK-ZDUSSCGKSA-N 1 0 234.299 1.696 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2cc[nH]n2)C1 ZINC000616653332 351187461 /nfs/dbraw/zinc/18/74/61/351187461.db2.gz LYOZHFBHKRBUKA-LLVKDONJSA-N 1 0 209.293 1.582 10 0 BDAERO c1cc2cc([C@@H]3C[NH2+]CCCO3)ccc2nn1 ZINC000616653360 351188161 /nfs/dbraw/zinc/18/81/61/351188161.db2.gz TUEDOTJDKBOSFO-ZDUSSCGKSA-N 1 0 229.283 1.681 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1cc2ccccc2nn1 ZINC000616636858 351129719 /nfs/dbraw/zinc/12/97/19/351129719.db2.gz FWGOQDWFZYBDFG-CQSZACIVSA-N 1 0 242.326 1.596 10 0 BDAERO CNc1ccc([C@H]2C[NH2+]CCN2C)cc1 ZINC000616636908 351130735 /nfs/dbraw/zinc/13/07/35/351130735.db2.gz GJUMEIPVDCDCMH-GFCCVEGCSA-N 1 0 205.305 1.304 10 0 BDAERO OCCc1ccccc1[C@@H]1C[NH2+]CCCO1 ZINC000616652366 351191290 /nfs/dbraw/zinc/19/12/90/351191290.db2.gz LHSZMSKEBOFBQK-ZDUSSCGKSA-N 1 0 221.300 1.272 10 0 BDAERO CC(C)(C)N1CCOC[C@@H]1c1cncnc1 ZINC000616638604 351140743 /nfs/dbraw/zinc/14/07/43/351140743.db2.gz YRFJDTGEFOPNBP-LLVKDONJSA-N 1 0 221.304 1.648 10 0 BDAERO c1cc2cc([C@@H]3COCC[NH2+]3)ccc2nn1 ZINC000616639971 351144689 /nfs/dbraw/zinc/14/46/89/351144689.db2.gz UNGWAQVOCPSXSR-LBPRGKRZSA-N 1 0 215.256 1.291 10 0 BDAERO [NH3+]CCN1C[C@H](c2cn[nH]c2)Cc2ccccc21 ZINC000616673523 351237409 /nfs/dbraw/zinc/23/74/09/351237409.db2.gz UWQHXEQYWFWDDW-GFCCVEGCSA-N 1 0 242.326 1.515 10 0 BDAERO [NH3+]CCN1CC[C@H](CCO)c2ccccc21 ZINC000616674147 351237985 /nfs/dbraw/zinc/23/79/85/351237985.db2.gz ADALMFUXXLOOET-LLVKDONJSA-N 1 0 220.316 1.321 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2cocn2)c2ccccc21 ZINC000616674294 351238954 /nfs/dbraw/zinc/23/89/54/351238954.db2.gz HJJGVNRBXQPGSD-LLVKDONJSA-N 1 0 243.310 1.975 10 0 BDAERO [NH3+]CCN1CC[C@@H](CCO)c2ccccc21 ZINC000616673317 351240044 /nfs/dbraw/zinc/24/00/44/351240044.db2.gz ADALMFUXXLOOET-NSHDSACASA-N 1 0 220.316 1.321 10 0 BDAERO [NH3+]CCN1CC[C@H](c2nnc[nH]2)c2ccccc21 ZINC000616675049 351242321 /nfs/dbraw/zinc/24/23/21/351242321.db2.gz KAAUXJUOPBHOGZ-NSHDSACASA-N 1 0 243.314 1.105 10 0 BDAERO CCN1CCO[C@@H](c2ccccc2N)C1 ZINC000616678285 351245960 /nfs/dbraw/zinc/24/59/60/351245960.db2.gz WYPLZWIXILTVJT-GFCCVEGCSA-N 1 0 206.289 1.662 10 0 BDAERO C[C@H]1C[NH+]=C(NCCc2nccs2)S1 ZINC000063134784 351247775 /nfs/dbraw/zinc/24/77/75/351247775.db2.gz JQQAQILYVJQGNM-ZETCQYMHSA-N 1 0 227.358 1.767 10 0 BDAERO CCOC(=O)N1C[C@H](C[NH3+])Nc2ccccc21 ZINC000616682913 351253562 /nfs/dbraw/zinc/25/35/62/351253562.db2.gz BYXSSJMEERNDRD-VIFPVBQESA-N 1 0 235.287 1.402 10 0 BDAERO C[N@@H+]1CCO[C@H](c2cccc(CO)c2)CC1 ZINC000616684106 351255147 /nfs/dbraw/zinc/25/51/47/351255147.db2.gz CEHMPVJOOGRZCX-ZDUSSCGKSA-N 1 0 221.300 1.572 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1C(F)(F)F ZINC000616686119 351256197 /nfs/dbraw/zinc/25/61/97/351256197.db2.gz WWWOHTKQHSNEMP-SNVBAGLBSA-N 1 0 245.248 1.808 10 0 BDAERO Brc1cncc(NCC2C[NH2+]C2)c1 ZINC000306869992 351259203 /nfs/dbraw/zinc/25/92/03/351259203.db2.gz URHLVXVISWCBRN-UHFFFAOYSA-N 1 0 242.120 1.475 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cnoc1 ZINC000616656678 351196340 /nfs/dbraw/zinc/19/63/40/351196340.db2.gz YJEQCWXOJQQFPA-LLVKDONJSA-N 1 0 210.277 1.846 10 0 BDAERO C[N@@H+]1CCOCC[C@H]1c1cccnc1N ZINC000616659503 351207354 /nfs/dbraw/zinc/20/73/54/351207354.db2.gz UAGILRDMCVCLTK-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO CC[N@@H+]1CCOC[C@@H](c2ccc(N)cc2)C1 ZINC000616661323 351209707 /nfs/dbraw/zinc/20/97/07/351209707.db2.gz PUWNWUCGOXIKJA-LBPRGKRZSA-N 1 0 220.316 1.705 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](CCO)C1 ZINC000616661527 351209719 /nfs/dbraw/zinc/20/97/19/351209719.db2.gz UAQCTMUFGUDMRG-JTQLQIEISA-N 1 0 201.310 1.116 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2c[nH]cn2)C1 ZINC000616661532 351209764 /nfs/dbraw/zinc/20/97/64/351209764.db2.gz UCHQNORJRNEJSB-SNVBAGLBSA-N 1 0 209.293 1.234 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2ccccn2)C1 ZINC000616661564 351210836 /nfs/dbraw/zinc/21/08/36/351210836.db2.gz URLAQLXMJFYDDG-GFCCVEGCSA-N 1 0 220.316 1.906 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](n2ccnc2)C1 ZINC000616661815 351210932 /nfs/dbraw/zinc/21/09/32/351210932.db2.gz YYKKWIBWMPIKET-NSHDSACASA-N 1 0 223.320 1.555 10 0 BDAERO CNc1cccc([C@H]2C[NH2+]CCOC2)c1 ZINC000616660690 351212869 /nfs/dbraw/zinc/21/28/69/351212869.db2.gz NXPSPTDELKNDJQ-NSHDSACASA-N 1 0 206.289 1.432 10 0 BDAERO c1cc2ccc([C@H]3C[NH2+]CCOC3)cc2cn1 ZINC000616660754 351213383 /nfs/dbraw/zinc/21/33/83/351213383.db2.gz OKABJSOZPDTEQJ-AWEZNQCLSA-N 1 0 228.295 1.938 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](OC(F)(F)F)C1 ZINC000616661228 351214210 /nfs/dbraw/zinc/21/42/10/351214210.db2.gz NCVDLHMEAJSLRJ-QMMMGPOBSA-N 1 0 227.226 1.632 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cccs1 ZINC000068914406 351286335 /nfs/dbraw/zinc/28/63/35/351286335.db2.gz BILWRDULYYXKFN-NXEZZACHSA-N 1 0 210.346 1.930 10 0 BDAERO O=[S@]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000306891218 351304656 /nfs/dbraw/zinc/30/46/56/351304656.db2.gz FYICEMSBYGEVHV-GWCFXTLKSA-N 1 0 201.335 1.430 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)[NH2+]CCS2 ZINC000306896224 351308621 /nfs/dbraw/zinc/30/86/21/351308621.db2.gz PCVGAMRPSPPUET-NSHDSACASA-N 1 0 244.360 1.660 10 0 BDAERO CC1(CC(=O)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000306903295 351317764 /nfs/dbraw/zinc/31/77/64/351317764.db2.gz IQLVJMURSGFUMI-LLVKDONJSA-N 1 0 211.305 1.514 10 0 BDAERO CCc1csc(N[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000063176673 351269392 /nfs/dbraw/zinc/26/93/92/351269392.db2.gz NNMJPAREUDXZGO-DTWKUNHWSA-N 1 0 211.334 1.997 10 0 BDAERO FCCNC1=[NH+]C2(CCCC2)CS1 ZINC000306877859 351270352 /nfs/dbraw/zinc/27/03/52/351270352.db2.gz DTNMLLVCHCNQAJ-UHFFFAOYSA-N 1 0 202.298 1.961 10 0 BDAERO [NH3+][C@H]1CCC[C@H](OCc2csnn2)C1 ZINC000306958950 351380693 /nfs/dbraw/zinc/38/06/93/351380693.db2.gz WQPICICTRUGBTE-CBAPKCEASA-N 1 0 213.306 1.325 10 0 BDAERO C[C@@H](C(=[NH2+])NO)N1CCC=C(Cl)C1 ZINC000404330735 351383348 /nfs/dbraw/zinc/38/33/48/351383348.db2.gz BHIZLQGEALMPHV-LURJTMIESA-N 1 0 203.673 1.159 10 0 BDAERO C[C@H]1CCC[NH2+][C@@H]1CN=S(C)(C)=O ZINC000306975279 351396113 /nfs/dbraw/zinc/39/61/13/351396113.db2.gz NEODQOXPGUSNMK-DTWKUNHWSA-N 1 0 204.339 1.102 10 0 BDAERO COC[C@H](C)[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000034937695 351352266 /nfs/dbraw/zinc/35/22/66/351352266.db2.gz QDMLDTCDZQOVQT-NWDGAFQWSA-N 1 0 242.363 1.402 10 0 BDAERO CCCCCNC(=O)[C@@H](C)[NH2+]CCCOCC ZINC000034938517 351353455 /nfs/dbraw/zinc/35/34/55/351353455.db2.gz CKUNYIORPGTNHU-GFCCVEGCSA-N 1 0 244.379 1.698 10 0 BDAERO C[C@H]1CC[C@@H](CN=S(C)(C)=O)C[NH2+]1 ZINC000306987589 351403785 /nfs/dbraw/zinc/40/37/85/351403785.db2.gz QGAKPRRASORYOM-DTWKUNHWSA-N 1 0 204.339 1.102 10 0 BDAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000034958053 351364652 /nfs/dbraw/zinc/36/46/52/351364652.db2.gz QTVBTQPQRIRMOY-CABCVRRESA-N 1 0 248.370 1.872 10 0 BDAERO [NH3+]Cc1cc(O)c(Br)cc1F ZINC000307040227 351438308 /nfs/dbraw/zinc/43/83/08/351438308.db2.gz LUORRUHMGJKHPK-UHFFFAOYSA-N 1 0 220.041 1.753 10 0 BDAERO ClC1=CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000404430131 351441064 /nfs/dbraw/zinc/44/10/64/351441064.db2.gz PXQCGBBUQXHJTE-SECBINFHSA-N 1 0 200.713 1.424 10 0 BDAERO C[C@H]([NH2+]Cc1ccns1)[C@@H]1CCCO1 ZINC000404432735 351449072 /nfs/dbraw/zinc/44/90/72/351449072.db2.gz OLGOXYRQSZOPLW-WPRPVWTQSA-N 1 0 212.318 1.800 10 0 BDAERO COc1cc(OC)cc([C@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000725268153 538100246 /nfs/dbraw/zinc/10/02/46/538100246.db2.gz FIHJVGPIOGDBOE-OLZOCXBDSA-N 1 0 236.315 1.108 10 0 BDAERO CC(C)[S@](=O)N1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000307060792 351459338 /nfs/dbraw/zinc/45/93/38/351459338.db2.gz DUQCSCVMMJMZTC-KKFJDGPESA-N 1 0 204.339 1.075 10 0 BDAERO N[C@H](CC[NH3+])c1c(F)cc(F)cc1F ZINC000306984571 351407522 /nfs/dbraw/zinc/40/75/22/351407522.db2.gz MGJCPNLGTCBMTR-MRVPVSSYSA-N 1 0 204.195 1.453 10 0 BDAERO C[C@H]([NH3+])c1nc(C(=O)c2ccsn2)cs1 ZINC000307002973 351413790 /nfs/dbraw/zinc/41/37/90/351413790.db2.gz INGBFCUJKVETFW-YFKPBYRVSA-N 1 0 239.325 1.850 10 0 BDAERO CC[C@H](O)C[NH+]1[C@H](C)CSC[C@H]1C ZINC000307005815 351415077 /nfs/dbraw/zinc/41/50/77/351415077.db2.gz FIUURNVGUCKOJU-BBBLOLIVSA-N 1 0 203.351 1.583 10 0 BDAERO C[C@]1([C@@H](O)[C@H]2CCC[NH2+]2)CCCS1 ZINC000307012878 351420111 /nfs/dbraw/zinc/42/01/11/351420111.db2.gz NAJQFXDHFZRGOE-KXUCPTDWSA-N 1 0 201.335 1.385 10 0 BDAERO CC(C)[C@@H]1[C@H](C)[NH2+][C@H](C)CC[S@]1=O ZINC000307131365 351495945 /nfs/dbraw/zinc/49/59/45/351495945.db2.gz ZZVMDEJZACVFJA-BSTOTGJRSA-N 1 0 203.351 1.530 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1ccc(Cl)nn1 ZINC000307132600 351497243 /nfs/dbraw/zinc/49/72/43/351497243.db2.gz HCNYJVDYFSVCIY-WDSKDSINSA-N 1 0 200.673 1.278 10 0 BDAERO CC(C)(C[NH3+])N1CCC=C(Br)C1 ZINC000404545825 351503460 /nfs/dbraw/zinc/50/34/60/351503460.db2.gz MASGFXVLEGOOKV-UHFFFAOYSA-N 1 0 233.153 1.708 10 0 BDAERO C[C@@](O)([C@@H]1CC[NH2+]C1)C(F)(F)Br ZINC000307150329 351504280 /nfs/dbraw/zinc/50/42/80/351504280.db2.gz SVHCIYFIKKXIKO-PHDIDXHHSA-N 1 0 244.079 1.335 10 0 BDAERO CC(C)NC(=[NH2+])N[C@H]1CCS[C@@H]1C ZINC000307150753 351504959 /nfs/dbraw/zinc/50/49/59/351504959.db2.gz UMAMYVCMKPEKQX-SFYZADRCSA-N 1 0 201.339 1.403 10 0 BDAERO CC(C)NC(=[NH2+])N[C@@H]1CCS[C@H]1C ZINC000307150752 351505088 /nfs/dbraw/zinc/50/50/88/351505088.db2.gz UMAMYVCMKPEKQX-JGVFFNPUSA-N 1 0 201.339 1.403 10 0 BDAERO C/C(=C/Cl)CN1CC[NH2+]CC1(C)C ZINC000232005246 351507318 /nfs/dbraw/zinc/50/73/18/351507318.db2.gz HKEYUJUAFJVGQZ-TWGQIWQCSA-N 1 0 202.729 1.813 10 0 BDAERO [NH2+]=C1COC[C@H](c2ccccc2Cl)N1 ZINC000307159853 351510749 /nfs/dbraw/zinc/51/07/49/351510749.db2.gz DEHJKQUFSHTVHU-SECBINFHSA-N 1 0 210.664 1.769 10 0 BDAERO C[C@@H]1CSC(NCc2csnn2)=[NH+]1 ZINC000307090502 351472314 /nfs/dbraw/zinc/47/23/14/351472314.db2.gz PQKDQQALKDYDKX-RXMQYKEDSA-N 1 0 214.319 1.119 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCSC[C@H](C)C1 ZINC000307112552 351485538 /nfs/dbraw/zinc/48/55/38/351485538.db2.gz MCLALFMXRMELMG-HTQZYQBOSA-N 1 0 218.391 1.346 10 0 BDAERO CC1(C)SC[C@H]1[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000307168861 351542446 /nfs/dbraw/zinc/54/24/46/351542446.db2.gz WFLZNZDRCXMQCV-RKDXNWHRSA-N 1 0 200.351 1.161 10 0 BDAERO C[N@H+](Cc1cn[nH]c1)C1CCC(=O)CC1 ZINC000307160736 351519196 /nfs/dbraw/zinc/51/91/96/351519196.db2.gz KARIGTRUSYOGND-UHFFFAOYSA-N 1 0 207.277 1.353 10 0 BDAERO [NH3+]C1(c2csc(C3CSC3)n2)CC1 ZINC000405143195 363074362 /nfs/dbraw/zinc/07/43/62/363074362.db2.gz ULHHBYXVVCRPDF-UHFFFAOYSA-N 1 0 212.343 1.921 10 0 BDAERO C[C@@H]1CSC[C@@H]1NC1=[NH+]CCCS1 ZINC000307189750 351590181 /nfs/dbraw/zinc/59/01/81/351590181.db2.gz YTIRDGCVQCHFOK-SFYZADRCSA-N 1 0 216.375 1.820 10 0 BDAERO CC[C@@H]1CCN(CCF)C[C@@H](C)C[NH2+]1 ZINC000307190235 351591870 /nfs/dbraw/zinc/59/18/70/351591870.db2.gz WVPRISIHRZBUHF-WDEREUQCSA-N 1 0 202.317 1.666 10 0 BDAERO C[C@@H]1CC[C@H](N[C@H]2CCSC2)C[NH2+]1 ZINC000307190985 351592498 /nfs/dbraw/zinc/59/24/98/351592498.db2.gz AEGZRYVVCSJTFX-UTLUCORTSA-N 1 0 200.351 1.222 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCS[C@@H](C)CC1 ZINC000307206782 351610236 /nfs/dbraw/zinc/61/02/36/351610236.db2.gz IVZUCRBBBNCAIC-JGVFFNPUSA-N 1 0 218.391 1.488 10 0 BDAERO CC[C@]1(C(=O)c2cnccn2)CC[NH2+]C1 ZINC000226350421 351617173 /nfs/dbraw/zinc/61/71/73/351617173.db2.gz KDKJDEQOIDYZLK-NSHDSACASA-N 1 0 205.261 1.049 10 0 BDAERO CCC[C@H](C(=O)N[C@@H](C)CCOC)[NH+](C)C ZINC000161900794 323575134 /nfs/dbraw/zinc/57/51/34/323575134.db2.gz HPRXCACERHCVHR-WDEREUQCSA-N 1 0 230.352 1.258 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC000637848579 351706334 /nfs/dbraw/zinc/70/63/34/351706334.db2.gz CJJGRFQJWCYDCA-SDDRHHMPSA-N 1 0 236.359 1.810 10 0 BDAERO CCc1nc([C@H](O)[C@@H]2CCC[NH2+]2)cs1 ZINC000307228248 351673133 /nfs/dbraw/zinc/67/31/33/351673133.db2.gz HLIGGEZDKSYLOJ-OIBJUYFYSA-N 1 0 212.318 1.491 10 0 BDAERO CC[C@H](NC(=O)c1cnc(C[NH3+])nc1)C(C)C ZINC000637949702 351826109 /nfs/dbraw/zinc/82/61/09/351826109.db2.gz FDLOVXCUUTXEIC-JTQLQIEISA-N 1 0 236.319 1.100 10 0 BDAERO CC[NH2+][C@H](C)C(=O)N[C@@H](CC)C(C)C ZINC000637952486 351827584 /nfs/dbraw/zinc/82/75/84/351827584.db2.gz QJCRSHFMGVMAOJ-ZJUUUORDSA-N 1 0 200.326 1.535 10 0 BDAERO CS[C@H]1CCC[N@@H+]([C@@H](C)C(N)=S)CC1 ZINC000300879051 363092252 /nfs/dbraw/zinc/09/22/52/363092252.db2.gz SAEIPWXVQZAOJC-IUCAKERBSA-N 1 0 232.418 1.879 10 0 BDAERO C[NH2+][C@@H]1CCC[C@@H]1N1CCC(F)(F)C1 ZINC000307263127 351808896 /nfs/dbraw/zinc/80/88/96/351808896.db2.gz YCJBXNYZJCJBOB-BDAKNGLRSA-N 1 0 204.264 1.468 10 0 BDAERO C[C@H](C[S@@](C)=O)NC1=[NH+]C[C@@H](C)CS1 ZINC000229020443 351838908 /nfs/dbraw/zinc/83/89/08/351838908.db2.gz RYIZFHPHCKHFPA-WFEFGEHDSA-N 1 0 234.390 1.082 10 0 BDAERO C[C@@H]1CCS[C@@]2(CCC[NH2+][C@H]2C)N1 ZINC000307270176 351818184 /nfs/dbraw/zinc/81/81/84/351818184.db2.gz NAJIIFPSAFXDEC-KXUCPTDWSA-N 1 0 200.351 1.570 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CCCC[C@@H]1O ZINC000307282285 351846633 /nfs/dbraw/zinc/84/66/33/351846633.db2.gz KTTJXHAKOXTEML-STQMWFEESA-N 1 0 247.342 1.604 10 0 BDAERO C[NH2+]C[C@@]1(C)CC[C@H](c2csnn2)O1 ZINC000307283786 351848635 /nfs/dbraw/zinc/84/86/35/351848635.db2.gz MLZKLDAGZPIIGU-RKDXNWHRSA-N 1 0 213.306 1.368 10 0 BDAERO OCCCC[NH2+]CCCOCc1ccccc1 ZINC000307306817 351931456 /nfs/dbraw/zinc/93/14/56/351931456.db2.gz DDMOGTHWTGPIBZ-UHFFFAOYSA-N 1 0 237.343 1.955 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)C1CC1 ZINC000123522050 187568022 /nfs/dbraw/zinc/56/80/22/187568022.db2.gz XRAYYBHMEJBSJK-YPMHNXCESA-N 1 0 226.364 1.485 10 0 BDAERO CC(C)CC(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725269589 538101826 /nfs/dbraw/zinc/10/18/26/538101826.db2.gz NFBLSYXBUDOEJL-NSHDSACASA-N 1 0 240.347 1.141 10 0 BDAERO Cn1cc([C@H](C[NH3+])Sc2nncs2)cn1 ZINC000043237651 180670303 /nfs/dbraw/zinc/67/03/03/180670303.db2.gz CEPVNYHCMVZFGS-ZETCQYMHSA-N 1 0 241.345 1.064 10 0 BDAERO CCCn1cccc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038048780 187599120 /nfs/dbraw/zinc/59/91/20/187599120.db2.gz JYUBBGLUGXHBRG-NWDGAFQWSA-N 1 0 249.358 1.898 10 0 BDAERO CCC[C@H](C)C(=O)Nc1cccc(C[NH3+])n1 ZINC000725270102 538101968 /nfs/dbraw/zinc/10/19/68/538101968.db2.gz FQUYZWCPEZPDII-VIFPVBQESA-N 1 0 221.304 1.915 10 0 BDAERO C[C@H](CC(=O)N1CC[C@@H]([NH3+])[C@H]1C)C(F)(F)F ZINC000638232936 352087420 /nfs/dbraw/zinc/08/74/20/352087420.db2.gz FPXNVWLTCRATRY-BWZBUEFSSA-N 1 0 238.253 1.523 10 0 BDAERO O[C@H](c1cc(Cl)cs1)[C@@H]1C=CC[NH2+]1 ZINC000307345292 352093861 /nfs/dbraw/zinc/09/38/61/352093861.db2.gz NZJBZXRKRMTLLM-CBAPKCEASA-N 1 0 215.705 1.963 10 0 BDAERO Fc1ccc(Br)c(C2=[NH+]CCN2)c1 ZINC000307347435 352102485 /nfs/dbraw/zinc/10/24/85/352102485.db2.gz PZGCRXMTFFFMDZ-UHFFFAOYSA-N 1 0 243.079 1.938 10 0 BDAERO [NH3+]CCOCC(=O)c1ccc(Cl)cc1 ZINC000074494295 187597627 /nfs/dbraw/zinc/59/76/27/187597627.db2.gz WKRULXBFUZEDNJ-UHFFFAOYSA-N 1 0 213.664 1.498 10 0 BDAERO CN1CC2(CC[NH2+]CC2)c2cccc(F)c21 ZINC000084781204 187608004 /nfs/dbraw/zinc/60/80/04/187608004.db2.gz NULKDLVECPOQBD-UHFFFAOYSA-N 1 0 220.291 1.897 10 0 BDAERO Cc1c(Br)ccc(=O)n1[C@@H](C)C[NH3+] ZINC000057834463 187612246 /nfs/dbraw/zinc/61/22/46/187612246.db2.gz HWELOCADRIPVRB-LURJTMIESA-N 1 0 245.120 1.439 10 0 BDAERO CC(=O)NC(=O)[C@H]([NH2+]C(C)(C)C)C(C)(C)C ZINC000082295616 187619865 /nfs/dbraw/zinc/61/98/65/187619865.db2.gz NWSHPUXAHFGGMD-VIFPVBQESA-N 1 0 228.336 1.452 10 0 BDAERO CN(c1ccc(Cl)nn1)[C@H]1CCC[NH2+]C1 ZINC000082500024 187621347 /nfs/dbraw/zinc/62/13/47/187621347.db2.gz UIZZPKNDCPOHSM-QMMMGPOBSA-N 1 0 226.711 1.318 10 0 BDAERO Cc1cocc1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000638330518 352148497 /nfs/dbraw/zinc/14/84/97/352148497.db2.gz HFWYBBPSXTVQQU-XVKPBYJWSA-N 1 0 208.261 1.007 10 0 BDAERO O=C(NC[C@H]1CCCCC[NH2+]1)C1CCC1 ZINC000725270202 538102216 /nfs/dbraw/zinc/10/22/16/538102216.db2.gz YQYBOSBAZCDLRS-LLVKDONJSA-N 1 0 210.321 1.435 10 0 BDAERO CC(C)CC1(N2CCOCC2)CC[NH2+]CC1 ZINC000536953941 538102249 /nfs/dbraw/zinc/10/22/49/538102249.db2.gz KHSKOFDXSNHROB-UHFFFAOYSA-N 1 0 226.364 1.487 10 0 BDAERO CC[C@H]1CN(C(C)(C)C[NH3+])CCCO1 ZINC000300911690 363120759 /nfs/dbraw/zinc/12/07/59/363120759.db2.gz OXSCIPBGPUHBES-JTQLQIEISA-N 1 0 200.326 1.225 10 0 BDAERO CC[C@@H]1CN([C@@H](C)[C@H](C)[NH3+])CCCO1 ZINC000300911714 363120834 /nfs/dbraw/zinc/12/08/34/363120834.db2.gz OYFZTHZLWJZPHB-GARJFASQSA-N 1 0 200.326 1.223 10 0 BDAERO CC(C)[C@H](C)CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129273809 187625636 /nfs/dbraw/zinc/62/56/36/187625636.db2.gz ZIXJABYYEUZZDK-NXEZZACHSA-N 1 0 212.337 1.250 10 0 BDAERO O=C(Nc1[nH+]ccc2[nH]ccc21)C1CC1 ZINC000217789340 363128968 /nfs/dbraw/zinc/12/89/68/363128968.db2.gz AIBUUDCQFOJZDO-UHFFFAOYSA-N 1 0 201.229 1.911 10 0 BDAERO COc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104213051 187631699 /nfs/dbraw/zinc/63/16/99/187631699.db2.gz HWMNDGALMXTIPD-VHSXEESVSA-N 1 0 234.299 1.489 10 0 BDAERO CCC[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)OCC ZINC000638457119 352267716 /nfs/dbraw/zinc/26/77/16/352267716.db2.gz JUAZAJYMRIQBJP-IJLUTSLNSA-N 1 0 242.363 1.435 10 0 BDAERO COC1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000638444778 352251131 /nfs/dbraw/zinc/25/11/31/352251131.db2.gz JCSKQQAOZSPJSI-QYNFOATHSA-N 1 0 240.347 1.188 10 0 BDAERO CCCn1cnnc1C1([NH3+])CCCCC1 ZINC000054497870 187662413 /nfs/dbraw/zinc/66/24/13/187662413.db2.gz NJURVLLMASUNHV-UHFFFAOYSA-N 1 0 208.309 1.806 10 0 BDAERO CC(C)N(CC[NH3+])C(=O)C1CCCCC1 ZINC000020183193 187660680 /nfs/dbraw/zinc/66/06/80/187660680.db2.gz GTKCQFFZZLUEQL-UHFFFAOYSA-N 1 0 212.337 1.762 10 0 BDAERO C[C@@H]1CCC[N@H+]([C@@H]2CCSC2)[C@H]1CN ZINC000252157518 363181993 /nfs/dbraw/zinc/18/19/93/363181993.db2.gz NNYRWPSNYCJBGC-MXWKQRLJSA-N 1 0 214.378 1.551 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1CC=CC1 ZINC000638493409 352306901 /nfs/dbraw/zinc/30/69/01/352306901.db2.gz HEQDGUYNBKQZAX-JQWIXIFHSA-N 1 0 222.332 1.457 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC1CC=CC1 ZINC000638493408 352307205 /nfs/dbraw/zinc/30/72/05/352307205.db2.gz HEQDGUYNBKQZAX-CMPLNLGQSA-N 1 0 222.332 1.457 10 0 BDAERO COCC[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725270603 538102524 /nfs/dbraw/zinc/10/25/24/538102524.db2.gz BSPNRIAYQVDIOG-USZNOCQGSA-N 1 0 211.305 1.180 10 0 BDAERO [NH2+]=C1NC[C@H](c2ccsc2Cl)N1 ZINC000307356176 352324768 /nfs/dbraw/zinc/32/47/68/352324768.db2.gz UXIAFYOHVKGVCB-RXMQYKEDSA-N 1 0 201.682 1.361 10 0 BDAERO C1=C[C@@H]2[C@H](C[C@@H]2[NH2+]C[C@@H]2CCCOC2)C1 ZINC000216508767 187664247 /nfs/dbraw/zinc/66/42/47/187664247.db2.gz WFWNSJHLLMAGGJ-RVMXOQNASA-N 1 0 207.317 1.967 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC2)CC[C@@H]1C[NH3+] ZINC000725271384 538103014 /nfs/dbraw/zinc/10/30/14/538103014.db2.gz LJDVEUFGQMUZSV-GXSJLCMTSA-N 1 0 210.321 1.230 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2ccnn2C)C[C@H](C)O1 ZINC000341483388 187704321 /nfs/dbraw/zinc/70/43/21/187704321.db2.gz KHRUVCKBSJCDAF-QWRGUYRKSA-N 1 0 237.347 1.713 10 0 BDAERO COC(=O)c1cnc2c(c1)[C@H]([NH3+])CCC2 ZINC000725271936 538103353 /nfs/dbraw/zinc/10/33/53/538103353.db2.gz DXLQVVJTJWGZBX-SECBINFHSA-N 1 0 206.245 1.204 10 0 BDAERO COC(=O)[C@@H]1CC[C@H]([NH3+])C[C@H]1C(F)(F)F ZINC000725271684 538103393 /nfs/dbraw/zinc/10/33/93/538103393.db2.gz RAKRWUVESFDHTM-RRKCRQDMSA-N 1 0 225.210 1.465 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccnc1C ZINC000638600876 352433461 /nfs/dbraw/zinc/43/34/61/352433461.db2.gz GYZQPZNJLQJJFG-JOYOIKCWSA-N 1 0 235.331 1.380 10 0 BDAERO C[C@@H]1CS[C@H]2[C@H](C)O[C@H](C)C[C@@H]2[NH2+]1 ZINC000252163188 363187440 /nfs/dbraw/zinc/18/74/40/363187440.db2.gz QCGQNGACKBUUIZ-ZJDVBMNYSA-N 1 0 201.335 1.646 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC[C@@H]1CC=CCC1 ZINC000638602811 352438297 /nfs/dbraw/zinc/43/82/97/352438297.db2.gz ZRKGOKFLHQEVEI-GHMZBOCLSA-N 1 0 210.321 1.457 10 0 BDAERO Cn1cccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000077204381 180730307 /nfs/dbraw/zinc/73/03/07/180730307.db2.gz FOCRDMAYZKRIPP-DGCLKSJQSA-N 1 0 222.332 1.666 10 0 BDAERO CCNC(=O)C[NH2+]C1(C2CCC2)CCC1 ZINC000411820411 191212704 /nfs/dbraw/zinc/21/27/04/191212704.db2.gz MRQGMIAFYJGUQR-UHFFFAOYSA-N 1 0 210.321 1.435 10 0 BDAERO CC[N@H+](CCO)[C@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271829 538103780 /nfs/dbraw/zinc/10/37/80/538103780.db2.gz UOBLHHVMWNNISF-CYDGBPFRSA-N 1 0 225.332 1.258 10 0 BDAERO CC(C)C(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725272226 538103795 /nfs/dbraw/zinc/10/37/95/538103795.db2.gz NXJOZPDIWIPRQY-LLVKDONJSA-N 1 0 240.347 1.012 10 0 BDAERO Cn1ccnc1Cn1c(N)[nH+]c2ccccc21 ZINC000075947882 180751020 /nfs/dbraw/zinc/75/10/20/180751020.db2.gz KPFDXXLIRWSIGQ-UHFFFAOYSA-N 1 0 227.271 1.400 10 0 BDAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638627194 352466285 /nfs/dbraw/zinc/46/62/85/352466285.db2.gz DRVOKSWINKALGT-RRZJSNMYSA-N 1 0 240.347 1.042 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000638628090 352467500 /nfs/dbraw/zinc/46/75/00/352467500.db2.gz JUYURWZEGIHROX-HMUNZLOLSA-N 1 0 242.363 1.288 10 0 BDAERO CC[N@H+](CCO)[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271830 538103679 /nfs/dbraw/zinc/10/36/79/538103679.db2.gz UOBLHHVMWNNISF-LOWDOPEQSA-N 1 0 225.332 1.258 10 0 BDAERO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[NH2+]1 ZINC000638653349 352494921 /nfs/dbraw/zinc/49/49/21/352494921.db2.gz XJTVSDNVVVVMCL-RMPHRYRLSA-N 1 0 222.332 1.289 10 0 BDAERO C[C@@H](NC(=O)c1sccc1F)[C@H](C)[NH3+] ZINC000307383813 352511657 /nfs/dbraw/zinc/51/16/57/352511657.db2.gz HTQQIVUBRHBWPE-NTSWFWBYSA-N 1 0 216.281 1.353 10 0 BDAERO C/C=C/CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638689204 352525108 /nfs/dbraw/zinc/52/51/08/352525108.db2.gz HNBZLPYVAFRINW-YEMZYZDBSA-N 1 0 236.237 1.077 10 0 BDAERO NC(=[NH2+])Nc1cc(F)ccc1Br ZINC000232253701 352587302 /nfs/dbraw/zinc/58/73/02/352587302.db2.gz YCAYIQBFVZRPNC-UHFFFAOYSA-N 1 0 232.056 1.894 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cnnc(Cl)c2)C1 ZINC000229125075 352591306 /nfs/dbraw/zinc/59/13/06/352591306.db2.gz ZTEGDALSLUMUCL-SSDOTTSWSA-N 1 0 212.684 1.246 10 0 BDAERO [NH3+]Cc1cnc(CN2CCCCC2)s1 ZINC000307425854 352593322 /nfs/dbraw/zinc/59/33/22/352593322.db2.gz PVBRWANEPVWKIU-UHFFFAOYSA-N 1 0 211.334 1.588 10 0 BDAERO Cc1nnsc1C[C@@]1(C[NH3+])CCCS1 ZINC000307434153 352594355 /nfs/dbraw/zinc/59/43/55/352594355.db2.gz QTTNBOSWHDVHEE-SECBINFHSA-N 1 0 229.374 1.614 10 0 BDAERO Cc1nc(Cl)c(F)c(N2CC[NH2+][C@@H](C)C2)n1 ZINC000725272744 538104459 /nfs/dbraw/zinc/10/44/59/538104459.db2.gz KZWOXDWQJGJMKN-LURJTMIESA-N 1 0 244.701 1.376 10 0 BDAERO C[NH2+]CCC1=NCCN1C(=O)[C@H](C)C(C)(C)C ZINC000725272584 538104501 /nfs/dbraw/zinc/10/45/01/538104501.db2.gz QJLXOGWTYUWCLY-JTQLQIEISA-N 1 0 239.363 1.519 10 0 BDAERO C[C@H]1CCN(C(=O)NCc2ccccc2)C[C@H]1[NH3+] ZINC000232306629 352611792 /nfs/dbraw/zinc/61/17/92/352611792.db2.gz VMRCQWUFXYDDPA-WCQYABFASA-N 1 0 247.342 1.565 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)NCc1ccccc1 ZINC000232306424 352612231 /nfs/dbraw/zinc/61/22/31/352612231.db2.gz DPZRXZPIJFXNNB-SNVBAGLBSA-N 1 0 221.304 1.223 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN(C(=O)NCc2ccccc2)C1 ZINC000232307141 352612286 /nfs/dbraw/zinc/61/22/86/352612286.db2.gz HXDLVAOQVPOCNI-AAEUAGOBSA-N 1 0 247.342 1.565 10 0 BDAERO CO[C@H]1C[C@@H](NC2=[NH+]CCS2)C1(C)C ZINC000300390315 352561987 /nfs/dbraw/zinc/56/19/87/352561987.db2.gz RFGFGRLLVNHHAG-SFYZADRCSA-N 1 0 214.334 1.492 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000300388990 352562059 /nfs/dbraw/zinc/56/20/59/352562059.db2.gz RPPLXLWRHPCMAD-IJLUTSLNSA-N 1 0 224.348 1.681 10 0 BDAERO CS[C@H]1CCCN([C@@H](C)C(N)=[NH2+])CC1 ZINC000300886066 352577614 /nfs/dbraw/zinc/57/76/14/352577614.db2.gz TWUSSWVRZNVOKZ-IUCAKERBSA-N 1 0 215.366 1.528 10 0 BDAERO C[C@@H]1CCS[C@@]2(CCOC[C@@H]2C)[NH2+]1 ZINC000300950574 352579573 /nfs/dbraw/zinc/57/95/73/352579573.db2.gz FKZFAWBORNNTFS-IVZWLZJFSA-N 1 0 201.335 1.854 10 0 BDAERO C[NH2+]C[C@]1([C@H]2CCOC2)CCCS1 ZINC000307535896 352639957 /nfs/dbraw/zinc/63/99/57/352639957.db2.gz SFSDFVGQNJPIRX-UWVGGRQHSA-N 1 0 201.335 1.508 10 0 BDAERO C[C@@H]1C[NH+]=C(N2CCSC[C@H](C)C2)N1 ZINC000307540562 352644280 /nfs/dbraw/zinc/64/42/80/352644280.db2.gz WHYNPRIIAIKJPS-RKDXNWHRSA-N 1 0 213.350 1.019 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1occc1C ZINC000229205378 352647312 /nfs/dbraw/zinc/64/73/12/352647312.db2.gz BODLRBJZYXCDNK-RKDXNWHRSA-N 1 0 209.245 1.064 10 0 BDAERO C[C@@H]1C[NH2+][C@@]2(CCOC2(C)C)SC1 ZINC000307574105 352658248 /nfs/dbraw/zinc/65/82/48/352658248.db2.gz GUCRBSPYMSMIPY-SCZZXKLOSA-N 1 0 201.335 1.854 10 0 BDAERO CCOC(=O)COCC[NH2+]Cc1ccccc1 ZINC000232426187 352660391 /nfs/dbraw/zinc/66/03/91/352660391.db2.gz BIPISZSCZDMQMA-UHFFFAOYSA-N 1 0 237.299 1.356 10 0 BDAERO C[C@H]1CCSCCN1[C@@H]1CC[NH2+]C1 ZINC000307594757 352664591 /nfs/dbraw/zinc/66/45/91/352664591.db2.gz JHKHBQOQARIIAJ-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO CNC(=[NH2+])N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000307599314 352666533 /nfs/dbraw/zinc/66/65/33/352666533.db2.gz QVTLTHRQIQCQDP-LBPRGKRZSA-N 1 0 246.358 1.347 10 0 BDAERO C[NH2+]C[C@H]1CCCO[C@H]1c1csnn1 ZINC000307601297 352667728 /nfs/dbraw/zinc/66/77/28/352667728.db2.gz USFFMSKTSSSHEM-VXNVDRBHSA-N 1 0 213.306 1.225 10 0 BDAERO COCCCN(C)C(=[NH2+])NCc1ccccc1 ZINC000307605762 352668332 /nfs/dbraw/zinc/66/83/32/352668332.db2.gz ZEUFLEDTQPBMFZ-UHFFFAOYSA-N 1 0 235.331 1.679 10 0 BDAERO C[C@@H](Nc1ncc(Cl)cn1)[C@H](C)[NH3+] ZINC000307604464 352668535 /nfs/dbraw/zinc/66/85/35/352668535.db2.gz WERAALBNJUWMTG-NTSWFWBYSA-N 1 0 200.673 1.278 10 0 BDAERO C[C@]1([C@@H]2CC[NH2+][C@H]2CO)CCCS1 ZINC000307609050 352669276 /nfs/dbraw/zinc/66/92/76/352669276.db2.gz HJVCQAAINFABLF-KXUCPTDWSA-N 1 0 201.335 1.243 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCC2(CC2)CC1 ZINC000638756190 352690098 /nfs/dbraw/zinc/69/00/98/352690098.db2.gz KARZUJMUWBBWGR-NSHDSACASA-N 1 0 224.348 1.907 10 0 BDAERO Cc1cc(O)cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000638757768 352691879 /nfs/dbraw/zinc/69/18/79/352691879.db2.gz RZVDIXGGBWURBS-BXKDBHETSA-N 1 0 234.299 1.495 10 0 BDAERO CC(C)[C@H]([NH3+])CCN(C)c1ncnc2[nH]ccc21 ZINC000420212757 192175959 /nfs/dbraw/zinc/17/59/59/192175959.db2.gz XZALLNUEVOXXPZ-LLVKDONJSA-N 1 0 247.346 1.768 10 0 BDAERO CCC[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1CC ZINC000253157167 538105081 /nfs/dbraw/zinc/10/50/81/538105081.db2.gz PSRTXDZIWWHDGK-MNOVXSKESA-N 1 0 248.392 1.046 10 0 BDAERO CC[C@@H]1CS[C@@]2(CCN(CC)C2)[NH2+]1 ZINC000307626410 352706869 /nfs/dbraw/zinc/70/68/69/352706869.db2.gz HXGMTZGVWNHESS-NXEZZACHSA-N 1 0 200.351 1.523 10 0 BDAERO [NH3+]Cc1ncc(Cc2nccs2)s1 ZINC000307627295 352708259 /nfs/dbraw/zinc/70/82/59/352708259.db2.gz LCNKJBORYFOMSS-UHFFFAOYSA-N 1 0 211.315 1.649 10 0 BDAERO Brc1ncccc1N[C@H]1CC[NH2+]C1 ZINC000232462478 352719783 /nfs/dbraw/zinc/71/97/83/352719783.db2.gz IIOMJVNBKDOQGT-ZETCQYMHSA-N 1 0 242.120 1.618 10 0 BDAERO CC(C)(C)[C@H](C[NH3+])N1C(=O)c2ccccc2C1=O ZINC000307616550 352675294 /nfs/dbraw/zinc/67/52/94/352675294.db2.gz QINBXUDNAMHBTH-NSHDSACASA-N 1 0 246.310 1.656 10 0 BDAERO COc1ccccc1[C@H](O)[C@@H]([NH3+])C(C)C ZINC000032012275 352735001 /nfs/dbraw/zinc/73/50/01/352735001.db2.gz CVZALOYYIBZOEH-RYUDHWBXSA-N 1 0 209.289 1.712 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)cc1 ZINC000032012270 352735052 /nfs/dbraw/zinc/73/50/52/352735052.db2.gz NLRDJZPELZJIJK-NWDGAFQWSA-N 1 0 209.289 1.712 10 0 BDAERO C1CC1[C@H]1OCC[C@@H]1NC1=[NH+]CCS1 ZINC000232474035 352741719 /nfs/dbraw/zinc/74/17/19/352741719.db2.gz WMYKPDSVTZAPMW-DTWKUNHWSA-N 1 0 212.318 1.246 10 0 BDAERO CC[C@@H]1[C@H](C2CC2)[NH2+][C@H](C)C[S@@]1=O ZINC000307667977 352748415 /nfs/dbraw/zinc/74/84/15/352748415.db2.gz IUKLENXUVYGZNK-PZWLIILKSA-N 1 0 201.335 1.284 10 0 BDAERO Cc1cc(-c2cnn(CC[NH3+])c2)cs1 ZINC000307664156 352748915 /nfs/dbraw/zinc/74/89/15/352748915.db2.gz JZYXKGKLJLAIFR-UHFFFAOYSA-N 1 0 207.302 1.879 10 0 BDAERO Cc1cccc(C[S@](=O)C2C[NH2+]C2)c1 ZINC000307672180 352751320 /nfs/dbraw/zinc/75/13/20/352751320.db2.gz WGPZGMBXEDNIOV-AWEZNQCLSA-N 1 0 209.314 1.216 10 0 BDAERO CC(C)(C)[C@@H](O)C(=O)c1c[nH+]ccc1N ZINC000232495909 352756550 /nfs/dbraw/zinc/75/65/50/352756550.db2.gz JKRIATMVLWPRCS-JTQLQIEISA-N 1 0 208.261 1.254 10 0 BDAERO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412035184 191247685 /nfs/dbraw/zinc/24/76/85/191247685.db2.gz DSYLAUQCAFTORV-FIQHERPVSA-N 1 0 241.331 1.031 10 0 BDAERO Cn1cnnc1S[C@H]1CCC[C@H]1C[NH3+] ZINC000035724111 180797649 /nfs/dbraw/zinc/79/76/49/180797649.db2.gz AXSOKRCCMSOPHS-YUMQZZPRSA-N 1 0 212.322 1.035 10 0 BDAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000074174601 538105652 /nfs/dbraw/zinc/10/56/52/538105652.db2.gz OLZBJSJPWLDTHY-VXGBXAGGSA-N 1 0 208.280 1.920 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(C#N)c1 ZINC000383409615 352932224 /nfs/dbraw/zinc/93/22/24/352932224.db2.gz SVDJHCUEMFSLTN-SKDRFNHKSA-N 1 0 229.283 1.120 10 0 BDAERO O=C(NC[C@H]1CCCC12CC2)[C@@H]1CC[NH2+]C1 ZINC000638795163 352884092 /nfs/dbraw/zinc/88/40/92/352884092.db2.gz MPJHSDOQRDGBQA-GHMZBOCLSA-N 1 0 222.332 1.292 10 0 BDAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCNC1 ZINC000307694128 352970782 /nfs/dbraw/zinc/97/07/82/352970782.db2.gz ZMHVMLMNLXACFD-GUBZILKMSA-N 1 0 200.351 1.222 10 0 BDAERO C1CCN(c2nc3c(s2)C[NH2+]CC3)C1 ZINC000085955725 323941233 /nfs/dbraw/zinc/94/12/33/323941233.db2.gz AKTOGGALOFYLEV-UHFFFAOYSA-N 1 0 209.318 1.389 10 0 BDAERO Brc1cc(CC2C[NH2+]C2)co1 ZINC000306598545 353029051 /nfs/dbraw/zinc/02/90/51/353029051.db2.gz XRWJYSHENUVMGV-UHFFFAOYSA-N 1 0 216.078 1.804 10 0 BDAERO CC1CC(C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000638816721 352997854 /nfs/dbraw/zinc/99/78/54/352997854.db2.gz JNIUDQUOJKRJKB-HTAVTVPLSA-N 1 0 224.348 1.762 10 0 BDAERO [NH3+][C@H]1CCCCCN(C(=O)CC(F)(F)F)C1 ZINC000638831756 353012080 /nfs/dbraw/zinc/01/20/80/353012080.db2.gz ITYCVTWKUGXRHC-QMMMGPOBSA-N 1 0 238.253 1.669 10 0 BDAERO CNC(=[NH2+])NCc1ccsc1Cl ZINC000306432757 353014172 /nfs/dbraw/zinc/01/41/72/353014172.db2.gz UMMKQHYWPQVLIA-UHFFFAOYSA-N 1 0 203.698 1.645 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c(C)n1 ZINC000638889554 353057992 /nfs/dbraw/zinc/05/79/92/353057992.db2.gz BXQRZUHTWAXEFL-JOYOIKCWSA-N 1 0 247.342 1.365 10 0 BDAERO C[N@H+](CCc1ccccn1)[C@@H]1CCC[C@@H]1O ZINC000037489996 358474108 /nfs/dbraw/zinc/47/41/08/358474108.db2.gz GWNWSMCIWOFIGE-OLZOCXBDSA-N 1 0 220.316 1.469 10 0 BDAERO Cc1[nH+]c([C@@H]2CCCSC2)c(N)n1C ZINC000307422208 353076524 /nfs/dbraw/zinc/07/65/24/353076524.db2.gz SFWNWUYVUQFIDR-MRVPVSSYSA-N 1 0 211.334 1.921 10 0 BDAERO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000638897817 353061173 /nfs/dbraw/zinc/06/11/73/353061173.db2.gz CTYPRYPAJGBZHS-YRGRVCCFSA-N 1 0 246.354 1.843 10 0 BDAERO C[C@@H]1CN(C(=O)CCC2CC2)C[C@@H]1C[NH3+] ZINC000638916151 353071565 /nfs/dbraw/zinc/07/15/65/353071565.db2.gz RGEJYCCJLCGWCT-KOLCDFICSA-N 1 0 210.321 1.230 10 0 BDAERO C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@@H]1C[NH3+] ZINC000638888131 353049518 /nfs/dbraw/zinc/04/95/18/353049518.db2.gz MWRFPWBDJOIALP-ZJUUUORDSA-N 1 0 238.375 1.722 10 0 BDAERO C[C@@H]1CN(C(=O)Cc2cccs2)C[C@H]1C[NH3+] ZINC000638883870 353051002 /nfs/dbraw/zinc/05/10/02/353051002.db2.gz BWJKSKJMSPUDDM-NXEZZACHSA-N 1 0 238.356 1.344 10 0 BDAERO C[C@H]1CN(C(=O)C2CCCCC2)C[C@H]1C[NH3+] ZINC000638883983 353051008 /nfs/dbraw/zinc/05/10/08/353051008.db2.gz DDLMHBZZFMSPSA-CMPLNLGQSA-N 1 0 224.348 1.620 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000638884062 353051392 /nfs/dbraw/zinc/05/13/92/353051392.db2.gz FBMHPYZVCSCWIB-OCCSQVGLSA-N 1 0 246.354 1.672 10 0 BDAERO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(C)o1 ZINC000638884244 353051669 /nfs/dbraw/zinc/05/16/69/353051669.db2.gz GMCDGGNYIBPKPN-LDYMZIIASA-N 1 0 236.315 1.563 10 0 BDAERO C[C@H]1CN(C(=O)c2ccccc2F)C[C@@H]1C[NH3+] ZINC000638886318 353053138 /nfs/dbraw/zinc/05/31/38/353053138.db2.gz QDXCWWPNIUNSRK-UWVGGRQHSA-N 1 0 236.290 1.493 10 0 BDAERO C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1C[NH3+] ZINC000638886876 353053888 /nfs/dbraw/zinc/05/38/88/353053888.db2.gz JPKADMBSLGVKNY-GHMZBOCLSA-N 1 0 224.348 1.620 10 0 BDAERO C[C@H]1CN(C(=O)C2CCCC2)C[C@H]1C[NH3+] ZINC000638887179 353053986 /nfs/dbraw/zinc/05/39/86/353053986.db2.gz URKIBODFBCMDJK-GXSJLCMTSA-N 1 0 210.321 1.230 10 0 BDAERO C[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1C[NH3+] ZINC000638887182 353054135 /nfs/dbraw/zinc/05/41/35/353054135.db2.gz URKIBODFBCMDJK-ONGXEEELSA-N 1 0 210.321 1.230 10 0 BDAERO Cc1nc([C@]2(O)CCC[C@@H]([NH3+])C2)cs1 ZINC000307718494 353109120 /nfs/dbraw/zinc/10/91/20/353109120.db2.gz LJLJOHVBSGPKRN-SCZZXKLOSA-N 1 0 212.318 1.540 10 0 BDAERO C[C@@H]1CSC[C@H]1N(C)[C@@H]1CC[NH2+]C1 ZINC000307718811 353109595 /nfs/dbraw/zinc/10/95/95/353109595.db2.gz LYJNNWZMBHUSBA-OPRDCNLKSA-N 1 0 200.351 1.032 10 0 BDAERO CN1CCN(C)[C@@H](C(=O)c2ccsc2)C1 ZINC000226060789 353077459 /nfs/dbraw/zinc/07/74/59/353077459.db2.gz OCTJYXGZCZCCTI-SNVBAGLBSA-N 1 0 224.329 1.177 10 0 BDAERO N[C@H](CC[NH3+])c1ccc(Br)o1 ZINC000307513190 353080008 /nfs/dbraw/zinc/08/00/08/353080008.db2.gz YQWKRNVSDUZHCS-RXMQYKEDSA-N 1 0 219.082 1.391 10 0 BDAERO C[C@]1([C@@H]2C[C@H]([NH3+])CCO2)CCCS1 ZINC000307688793 353093890 /nfs/dbraw/zinc/09/38/90/353093890.db2.gz FXUATIQIIIUCIF-KXUCPTDWSA-N 1 0 201.335 1.778 10 0 BDAERO [NH3+]C1CC(O)(Cc2coc(Br)c2)C1 ZINC000307708791 353100839 /nfs/dbraw/zinc/10/08/39/353100839.db2.gz KEWOVDOBGMJRON-UHFFFAOYSA-N 1 0 246.104 1.437 10 0 BDAERO C[C@@H](O)C[NH2+][C@@H]1CSc2ccccc21 ZINC000129451218 353129224 /nfs/dbraw/zinc/12/92/24/353129224.db2.gz JTVZHUZEIBCAGH-PSASIEDQSA-N 1 0 209.314 1.804 10 0 BDAERO CC(C)([NH3+])CNC(=O)c1ccoc1Cl ZINC000232568425 353134363 /nfs/dbraw/zinc/13/43/63/353134363.db2.gz OLYHIVLZQURTEU-UHFFFAOYSA-N 1 0 216.668 1.400 10 0 BDAERO CC(C)([NH3+])CO[C@@H]1CCCCC[C@H]1O ZINC000232573741 353136696 /nfs/dbraw/zinc/13/66/96/353136696.db2.gz BDZVCXFDQPIXLQ-NXEZZACHSA-N 1 0 201.310 1.434 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000638948751 353151562 /nfs/dbraw/zinc/15/15/62/353151562.db2.gz QEONYQRJXRWOFA-ANRVXECHSA-N 1 0 224.348 1.666 10 0 BDAERO C1C[C@H](SC2=[NH+]CCCN2)CS1 ZINC000405250999 353151990 /nfs/dbraw/zinc/15/19/90/353151990.db2.gz JSSABUUFNKWBMJ-ZETCQYMHSA-N 1 0 202.348 1.574 10 0 BDAERO OCC1([C@@H]2CCSC2)CC[NH2+]CC1 ZINC000405264009 353154494 /nfs/dbraw/zinc/15/44/94/353154494.db2.gz QIKSOEPPXYJQAE-SECBINFHSA-N 1 0 201.335 1.102 10 0 BDAERO C1=CO[C@H](C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000188578069 353253237 /nfs/dbraw/zinc/25/32/37/353253237.db2.gz ZIUPOAPINLGLBC-RVMXOQNASA-N 1 0 223.316 1.836 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@]2(C)CCOC2)SC1 ZINC000229480993 353278638 /nfs/dbraw/zinc/27/86/38/353278638.db2.gz FUZJCTOSOGYOQH-PSASIEDQSA-N 1 0 214.334 1.494 10 0 BDAERO COC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000121163574 188249182 /nfs/dbraw/zinc/24/91/82/188249182.db2.gz YVAYKXYGBRQDAF-WOPDTQHZSA-N 1 0 242.363 1.068 10 0 BDAERO CC(C)(C)OC(=O)CN1CCC[C@]12CCOC2 ZINC000312949822 188255080 /nfs/dbraw/zinc/25/50/80/188255080.db2.gz OSWDJIAIMXVDMJ-CYBMUJFWSA-N 1 0 241.331 1.583 10 0 BDAERO COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282393735 188267922 /nfs/dbraw/zinc/26/79/22/188267922.db2.gz PDILEJSVCWVYAF-GXFFZTMASA-N 1 0 248.326 1.452 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H]1C(F)(F)F ZINC000082327909 188270090 /nfs/dbraw/zinc/27/00/90/188270090.db2.gz RWKTVPJWDVSQPZ-PHDIDXHHSA-N 1 0 240.225 1.495 10 0 BDAERO C/C=C/C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000036257386 188278491 /nfs/dbraw/zinc/27/84/91/188278491.db2.gz XQLSZBSSZFURSY-XCRNYIDWSA-N 1 0 208.305 1.353 10 0 BDAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1cccnc1 ZINC000019415699 188280328 /nfs/dbraw/zinc/28/03/28/188280328.db2.gz CFTSBZGGHGKIAE-SNVBAGLBSA-N 1 0 237.303 1.606 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)Nc1cc(F)ccc1F ZINC000019426514 188281176 /nfs/dbraw/zinc/28/11/76/188281176.db2.gz BMJRTCFLEOKBBD-JTQLQIEISA-N 1 0 228.242 1.887 10 0 BDAERO Cc1nn(C)c(-n2cc(Cl)cn2)c1C[NH3+] ZINC000038053888 188282882 /nfs/dbraw/zinc/28/28/82/188282882.db2.gz DOCVTXYKARXRBV-UHFFFAOYSA-N 1 0 225.683 1.026 10 0 BDAERO C[NH+]1CCC(Nc2ccc(CC(N)=O)cc2)CC1 ZINC000037074774 188286438 /nfs/dbraw/zinc/28/64/38/188286438.db2.gz BJFZPXXZMFTCSQ-UHFFFAOYSA-N 1 0 247.342 1.221 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000037149235 188287004 /nfs/dbraw/zinc/28/70/04/188287004.db2.gz FDPCHMWWDAQNAX-VHSXEESVSA-N 1 0 222.336 1.919 10 0 BDAERO CC(C)[C@@H]([NH3+])c1nc(C2CC2)cc(=O)[nH]1 ZINC000071009158 188287141 /nfs/dbraw/zinc/28/71/41/188287141.db2.gz IOLZDIMSVXBDDM-SNVBAGLBSA-N 1 0 207.277 1.303 10 0 BDAERO CC(C)(c1ccccc1)N1CC[NH2+]CC1 ZINC000071509152 188287296 /nfs/dbraw/zinc/28/72/96/188287296.db2.gz MMUMHCHGKODAIZ-UHFFFAOYSA-N 1 0 204.317 1.827 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000037769538 188287991 /nfs/dbraw/zinc/28/79/91/188287991.db2.gz MNBXHSFLEKOZCT-NSHDSACASA-N 1 0 232.287 1.485 10 0 BDAERO Cc1n[nH]cc1CNC(=O)c1cccc(C[NH3+])c1 ZINC000042356438 188293320 /nfs/dbraw/zinc/29/33/20/188293320.db2.gz JLCVTQFCZLKORJ-UHFFFAOYSA-N 1 0 244.298 1.107 10 0 BDAERO COc1ccc([C@H](O)[C@H](C)C[NH3+])cc1Cl ZINC000082348247 188293804 /nfs/dbraw/zinc/29/38/04/188293804.db2.gz XZZNIBSEILQOIM-RDDDGLTNSA-N 1 0 229.707 1.977 10 0 BDAERO Cc1ccc(CC(=O)N(C)C[C@@H](C)C[NH3+])cc1 ZINC000042455315 188294335 /nfs/dbraw/zinc/29/43/35/188294335.db2.gz RVOOBDARJFCAMI-LBPRGKRZSA-N 1 0 234.343 1.591 10 0 BDAERO Cc1c([C@H](C)[NH3+])cnn1-c1cc(C)ccn1 ZINC000043671338 188295736 /nfs/dbraw/zinc/29/57/36/188295736.db2.gz PXRWDTFXUWNUKL-VIFPVBQESA-N 1 0 216.288 1.904 10 0 BDAERO C[C@@H]1C[NH2+][C@H](C)CCN(Cc2ccccn2)C1 ZINC000049666522 188299301 /nfs/dbraw/zinc/29/93/01/188299301.db2.gz OQNQGLLPACLELF-CHWSQXEVSA-N 1 0 233.359 1.902 10 0 BDAERO CC1(C)Cc2nc([C@@H]3CCOC3)ncc2[C@@H]([NH3+])C1 ZINC000051691523 188299841 /nfs/dbraw/zinc/29/98/41/188299841.db2.gz CVGNGJVGXOXGSA-KOLCDFICSA-N 1 0 247.342 1.953 10 0 BDAERO CC1(C)Cc2nc([C@@H]3CCOC3)ncc2[C@H]([NH3+])C1 ZINC000051691518 188299900 /nfs/dbraw/zinc/29/99/00/188299900.db2.gz CVGNGJVGXOXGSA-MWLCHTKSSA-N 1 0 247.342 1.953 10 0 BDAERO CC(C)C[C@H]([NH2+]Cc1ccc[nH]1)C(=O)N(C)C ZINC000051788313 188299910 /nfs/dbraw/zinc/29/99/10/188299910.db2.gz SOSHRZIWYQGMDC-LBPRGKRZSA-N 1 0 237.347 1.607 10 0 BDAERO [NH3+]CCCc1nc(-c2cccs2)n[nH]1 ZINC000054700171 188300650 /nfs/dbraw/zinc/30/06/50/188300650.db2.gz GFQCPZWHNVXBFB-UHFFFAOYSA-N 1 0 208.290 1.425 10 0 BDAERO CN(c1ccc(N)cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000053205897 188300672 /nfs/dbraw/zinc/30/06/72/188300672.db2.gz HWIXHTBKJGEZKB-LLVKDONJSA-N 1 0 237.322 1.938 10 0 BDAERO CC(C)(C)c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054301330 188300878 /nfs/dbraw/zinc/30/08/78/188300878.db2.gz HCIXROSCFCIAHS-VIFPVBQESA-N 1 0 223.320 1.909 10 0 BDAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N2CCCOCC2)C1 ZINC000061917542 188302265 /nfs/dbraw/zinc/30/22/65/188302265.db2.gz CMYZVSWMWOXTGM-HZSPNIEDSA-N 1 0 240.391 1.861 10 0 BDAERO CC(=O)NCC[NH2+][C@@H]1CCCc2sccc21 ZINC000061325350 188302298 /nfs/dbraw/zinc/30/22/98/188302298.db2.gz LDKNHJNKZCXLGG-LLVKDONJSA-N 1 0 238.356 1.851 10 0 BDAERO COCCn1cnnc1[C@H](C[NH3+])c1ccccc1 ZINC000061609634 188302662 /nfs/dbraw/zinc/30/26/62/188302662.db2.gz ODDLMHRTIJCPHD-GFCCVEGCSA-N 1 0 246.314 1.015 10 0 BDAERO CC(=O)CCCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062981496 188303885 /nfs/dbraw/zinc/30/38/85/188303885.db2.gz QINOBRFEHKGQBA-AWEZNQCLSA-N 1 0 238.375 1.916 10 0 BDAERO CC(C)C[C@@H](C)N(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062895121 188304147 /nfs/dbraw/zinc/30/41/47/188304147.db2.gz YXKUNIYPIMVJCM-YPMHNXCESA-N 1 0 226.364 1.879 10 0 BDAERO CC(C)C[C@H](C)N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062895120 188304186 /nfs/dbraw/zinc/30/41/86/188304186.db2.gz YXKUNIYPIMVJCM-WCQYABFASA-N 1 0 226.364 1.879 10 0 BDAERO C(c1noc([C@@H]2CCCO2)n1)[C@@H]1CCC[NH2+]C1 ZINC000063084721 188304322 /nfs/dbraw/zinc/30/43/22/188304322.db2.gz SIFZNKWROLOLQB-UWVGGRQHSA-N 1 0 237.303 1.463 10 0 BDAERO COc1ccc(C[C@H](C)N2CCC[NH2+]CC2)cc1 ZINC000071169795 188305646 /nfs/dbraw/zinc/30/56/46/188305646.db2.gz OQLYXCLVXNHTOM-ZDUSSCGKSA-N 1 0 248.370 1.922 10 0 BDAERO COc1ccc(C)cc1C[C@@H]1C[NH2+]CC[C@@H]1O ZINC000071545654 188306160 /nfs/dbraw/zinc/30/61/60/188306160.db2.gz KYSGGROOLDBVDS-OLZOCXBDSA-N 1 0 235.327 1.517 10 0 BDAERO COc1ccc(OCc2nc(CC[NH3+])c[nH]2)cc1 ZINC000071561707 188306424 /nfs/dbraw/zinc/30/64/24/188306424.db2.gz AEGJOLMWIKSQST-UHFFFAOYSA-N 1 0 247.298 1.499 10 0 BDAERO COc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000071549457 188306457 /nfs/dbraw/zinc/30/64/57/188306457.db2.gz ZNXZELMAAAFUBO-STQMWFEESA-N 1 0 239.315 1.721 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000102666738 188322897 /nfs/dbraw/zinc/32/28/97/188322897.db2.gz QXXDYONZZMFBJY-VHSXEESVSA-N 1 0 226.320 1.156 10 0 BDAERO CC(C)N(C)C(=O)CN1[C@@H](C)CCC[C@H]1C[NH3+] ZINC000104157032 188323876 /nfs/dbraw/zinc/32/38/76/188323876.db2.gz YTMNOYPAWRCGCC-RYUDHWBXSA-N 1 0 241.379 1.055 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189953191 353335410 /nfs/dbraw/zinc/33/54/10/353335410.db2.gz YLQQFRNIFWCJDN-WPRPVWTQSA-N 1 0 208.309 1.531 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)NC1(C)CCCC1 ZINC000042187977 188324021 /nfs/dbraw/zinc/32/40/21/188324021.db2.gz RKJPGKOXFPFLJS-SNVBAGLBSA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000082327471 188313279 /nfs/dbraw/zinc/31/32/79/188313279.db2.gz RLGNMPMMFZUMBZ-GHMZBOCLSA-N 1 0 240.347 1.995 10 0 BDAERO CC(C)C[C@@H](N)c1nc(CC[NH+](C)C)no1 ZINC000083050276 188315500 /nfs/dbraw/zinc/31/55/00/188315500.db2.gz MPUNPNZRCSMVKG-SECBINFHSA-N 1 0 226.324 1.220 10 0 BDAERO COc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC000104217719 188324346 /nfs/dbraw/zinc/32/43/46/188324346.db2.gz OEJSQESHYJXGGY-MFKMUULPSA-N 1 0 248.326 1.167 10 0 BDAERO Cc1nn(C)c(-n2ccc(C(C)C)n2)c1CC[NH3+] ZINC000104262060 188324493 /nfs/dbraw/zinc/32/44/93/188324493.db2.gz HLFWBUBLFPMXHB-UHFFFAOYSA-N 1 0 247.346 1.539 10 0 BDAERO CC(C)([NH3+])c1noc([C@@H]2CCCCO2)n1 ZINC000050973561 188329619 /nfs/dbraw/zinc/32/96/19/188329619.db2.gz IHQLUBMZWGIBKC-ZETCQYMHSA-N 1 0 211.265 1.505 10 0 BDAERO [NH3+]C[C@H](CO)Nc1cccc(Br)c1 ZINC000130138517 353339992 /nfs/dbraw/zinc/33/99/92/353339992.db2.gz ZKVKLTOVXAGHQQ-SECBINFHSA-N 1 0 245.120 1.181 10 0 BDAERO CC(C)C[C@H](C)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336671872 188340361 /nfs/dbraw/zinc/34/03/61/188340361.db2.gz NUPHKRBXNALNAH-SRVKXCTJSA-N 1 0 226.364 1.925 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NCc1csnn1 ZINC000037167276 188337984 /nfs/dbraw/zinc/33/79/84/188337984.db2.gz BNEWQOYFBPZYEU-SNVBAGLBSA-N 1 0 242.392 1.604 10 0 BDAERO CC(C)(O)C[N@@H+]1CCC[C@@H](N2CCCCC2)C1 ZINC000111232425 188339298 /nfs/dbraw/zinc/33/92/98/188339298.db2.gz CABONJNTCSHJFR-CYBMUJFWSA-N 1 0 240.391 1.708 10 0 BDAERO CC(C)=CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000308871032 188342050 /nfs/dbraw/zinc/34/20/50/188342050.db2.gz YYPRPFAOBXUPMN-WDEREUQCSA-N 1 0 208.305 1.163 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)CO)CC(C)(C)C1 ZINC000085252112 538116303 /nfs/dbraw/zinc/11/63/03/538116303.db2.gz BOIJLZQXCMLHQI-MDZLAQPJSA-N 1 0 229.364 1.534 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1C[C@@H](C)OC[C@@H]1C ZINC000223222784 353368411 /nfs/dbraw/zinc/36/84/11/353368411.db2.gz DHVNHEYXIXLLNA-AXFHLTTASA-N 1 0 200.326 1.079 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1Oc1ccc(Cl)nn1 ZINC000131671730 353372547 /nfs/dbraw/zinc/37/25/47/353372547.db2.gz NJGQCJNJRPGUJR-NKWVEPMBSA-N 1 0 213.668 1.389 10 0 BDAERO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1C=CCCC1 ZINC000309735741 188345471 /nfs/dbraw/zinc/34/54/71/188345471.db2.gz CHYJZXVECRQGCW-MNOVXSKESA-N 1 0 222.332 1.742 10 0 BDAERO CC(C)=CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000309909949 188346290 /nfs/dbraw/zinc/34/62/90/188346290.db2.gz MBZGNLXPMMMWCI-QWRGUYRKSA-N 1 0 208.305 1.163 10 0 BDAERO CC(=O)N[C@H]1CC[C@H]([NH3+])c2sccc21 ZINC000082374165 188350636 /nfs/dbraw/zinc/35/06/36/188350636.db2.gz SJJPTXYIQXFYDD-IUCAKERBSA-N 1 0 210.302 1.719 10 0 BDAERO COc1ccc([C@H](O)[C@H](C)[NH3+])cc1OC ZINC000020216849 188352919 /nfs/dbraw/zinc/35/29/19/188352919.db2.gz JTIPLNDENHDFNZ-WRWORJQWSA-N 1 0 211.261 1.084 10 0 BDAERO CC(=O)Oc1cccc2c1CC[N@@H+](C)C2 ZINC000197163107 188354299 /nfs/dbraw/zinc/35/42/99/188354299.db2.gz AVVOQSRYIDLJSJ-UHFFFAOYSA-N 1 0 205.257 1.600 10 0 BDAERO C=Cc1cncc(OCC2([NH2+]C)CC2)c1 ZINC000029126821 188358561 /nfs/dbraw/zinc/35/85/61/188358561.db2.gz JMPFNINBEXFRJC-UHFFFAOYSA-N 1 0 204.273 1.855 10 0 in-vitro BDAERO CCN1CCC[C@H]([NH2+][C@H](C)COC(C)C)C1 ZINC000336774977 353429179 /nfs/dbraw/zinc/42/91/79/353429179.db2.gz XRHZJXMVYQQRST-OLZOCXBDSA-N 1 0 228.380 1.874 10 0 BDAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])[C@H]1CCOC1 ZINC000252339129 363229030 /nfs/dbraw/zinc/22/90/30/363229030.db2.gz QTVBTQPQRIRMOY-GJZGRUSLSA-N 1 0 248.370 1.872 10 0 BDAERO CCOC(OCC)[P@@](=O)(C[NH3+])OCC ZINC000388825252 353485237 /nfs/dbraw/zinc/48/52/37/353485237.db2.gz SRASZBUIADWXKC-CQSZACIVSA-N 1 0 225.225 1.574 10 0 BDAERO C[C@H](NCc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000571669482 353490075 /nfs/dbraw/zinc/49/00/75/353490075.db2.gz OKFBTGQLRZYAPB-WDEREUQCSA-N 1 0 208.305 1.757 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1O[C@H]1CCSC1 ZINC000405452811 353490590 /nfs/dbraw/zinc/49/05/90/353490590.db2.gz YBFXLHOZVWZCSG-AEJSXWLSSA-N 1 0 201.335 1.778 10 0 BDAERO N#Cc1cnccc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000399022354 353694351 /nfs/dbraw/zinc/69/43/51/353694351.db2.gz HXHVCAURANVOQX-GHMZBOCLSA-N 1 0 216.288 1.057 10 0 BDAERO Fc1ccccc1CC[NH2+]C[C@H]1CCOC1 ZINC000019912796 181011813 /nfs/dbraw/zinc/01/18/13/181011813.db2.gz BJGOSHXWPXNWKT-LLVKDONJSA-N 1 0 223.291 1.994 10 0 BDAERO Fc1ccccc1C[C@H]1C[NH2+]CCOC1 ZINC000071511539 181012834 /nfs/dbraw/zinc/01/28/34/181012834.db2.gz MBRNCTORYBDJFG-JTQLQIEISA-N 1 0 209.264 1.604 10 0 BDAERO C[C@@H]1CC[NH2+][C@@]2(CCOC[C@H]2C)S1 ZINC000300980383 363259010 /nfs/dbraw/zinc/25/90/10/363259010.db2.gz ICKLGNCQVVTGOC-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@H]([NH2+]C1CCN(CCO)CC1)c1ccncc1 ZINC000399045223 353741627 /nfs/dbraw/zinc/74/16/27/353741627.db2.gz UINYZOQZLVTDCL-LBPRGKRZSA-N 1 0 249.358 1.189 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)C(C)C)C1 ZINC000086004464 491056073 /nfs/dbraw/zinc/05/60/73/491056073.db2.gz ABKOXYYDZVWPGY-RYUDHWBXSA-N 1 0 214.353 1.341 10 0 BDAERO Fc1cnc(SC[C@@H]2CCC[NH2+]2)nc1 ZINC000095072052 181019629 /nfs/dbraw/zinc/01/96/29/181019629.db2.gz NSHCYYHQUZACGT-QMMMGPOBSA-N 1 0 213.281 1.460 10 0 BDAERO CN1C(=O)N(c2ccccc2)[C@@H]2C[NH2+]CC[C@H]21 ZINC000606303109 353858567 /nfs/dbraw/zinc/85/85/67/353858567.db2.gz IXHLBCXJUCPTHJ-VXGBXAGGSA-N 1 0 231.299 1.289 10 0 BDAERO C/C(=C/Cl)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000308108325 353886756 /nfs/dbraw/zinc/88/67/56/353886756.db2.gz JBDGQWQCQWSVKV-VAJAEUGUSA-N 1 0 202.729 1.798 10 0 BDAERO C[NH2+]CC(=O)Nc1cncc(Br)c1 ZINC000300995134 363269945 /nfs/dbraw/zinc/26/99/45/363269945.db2.gz UUBPAIACONZULS-UHFFFAOYSA-N 1 0 244.092 1.002 10 0 BDAERO Cc1cccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000577946709 366124671 /nfs/dbraw/zinc/12/46/71/366124671.db2.gz FZONCHJMYRBGGE-CHWSQXEVSA-N 1 0 233.359 1.868 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1Sc1ncns1 ZINC000252476363 363334580 /nfs/dbraw/zinc/33/45/80/363334580.db2.gz YBHJKZMWUKFGRJ-FSDSQADBSA-N 1 0 215.347 1.756 10 0 BDAERO COC(C)(C)[C@@H](C)[N@@H+]1CCN[C@@H](C)C1 ZINC000301024879 363336566 /nfs/dbraw/zinc/33/65/66/363336566.db2.gz RJUSMLBEDJADJO-VHSXEESVSA-N 1 0 200.326 1.094 10 0 BDAERO COC(C)(C)[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000301029255 363344996 /nfs/dbraw/zinc/34/49/96/363344996.db2.gz UCSZHXHGPPJPCS-NXEZZACHSA-N 1 0 200.326 1.223 10 0 BDAERO c1cn2cc(C[C@H]3CC[NH2+]C3)nc2s1 ZINC000134183281 354209789 /nfs/dbraw/zinc/20/97/89/354209789.db2.gz IFSCMKQHAHULGE-MRVPVSSYSA-N 1 0 207.302 1.548 10 0 BDAERO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H](CCO)C2)O1 ZINC000232031612 363360941 /nfs/dbraw/zinc/36/09/41/363360941.db2.gz MJMQKVVWWQLUDG-WOPDTQHZSA-N 1 0 213.321 1.258 10 0 BDAERO COCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113222763 354233622 /nfs/dbraw/zinc/23/36/22/354233622.db2.gz BHTRNUQPEJIUBF-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO CC(C)[N@H+](C)[C@]1(CN)CCOC[C@@H]1C ZINC000301044366 363372482 /nfs/dbraw/zinc/37/24/82/363372482.db2.gz XOTPTLXSRWKWAS-QWRGUYRKSA-N 1 0 200.326 1.081 10 0 BDAERO CCCOCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113226968 354270883 /nfs/dbraw/zinc/27/08/83/354270883.db2.gz XTZDRZQRAJLQFO-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO C[C@H]1COC[C@H](C)[NH+]1CCC1(O)CCC1 ZINC000335172500 354938240 /nfs/dbraw/zinc/93/82/40/354938240.db2.gz BLODNWOJMDWYHH-QWRGUYRKSA-N 1 0 213.321 1.401 10 0 BDAERO CC[NH+]1CCC(N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502073 358492787 /nfs/dbraw/zinc/49/27/87/358492787.db2.gz LNYUDHTWTDOXCO-CQSZACIVSA-N 1 0 239.407 1.545 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccns2)C1 ZINC000639241315 355227292 /nfs/dbraw/zinc/22/72/92/355227292.db2.gz JNKFSQAAAXHGAW-IUCAKERBSA-N 1 0 212.318 1.346 10 0 BDAERO CC[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000413030502 191352410 /nfs/dbraw/zinc/35/24/10/191352410.db2.gz HIIGNURRZOPMKE-NXEZZACHSA-N 1 0 213.325 1.178 10 0 BDAERO NC(=[NH2+])CSc1nnc(C2CC2)n1C1CC1 ZINC000019848091 181186215 /nfs/dbraw/zinc/18/62/15/181186215.db2.gz STUODYCUISHIHQ-UHFFFAOYSA-N 1 0 237.332 1.518 10 0 BDAERO NC(=[NH2+])C[C@@H](O)COc1ccc(Cl)cc1 ZINC000040539142 181186241 /nfs/dbraw/zinc/18/62/41/181186241.db2.gz NBYJSDNHHSQHJS-MRVPVSSYSA-N 1 0 228.679 1.406 10 0 BDAERO NC(=[NH2+])CCSc1nnnn1C1CCCC1 ZINC000019863518 181186742 /nfs/dbraw/zinc/18/67/42/181186742.db2.gz JVSFJXBUFNYBSI-UHFFFAOYSA-N 1 0 240.336 1.206 10 0 BDAERO NC(=[NH2+])CSc1nc2ccccc2[nH]1 ZINC000019848183 181186651 /nfs/dbraw/zinc/18/66/51/181186651.db2.gz XIZPVTKTMXCBQV-UHFFFAOYSA-N 1 0 206.274 1.591 10 0 BDAERO NC(=[NH2+])c1ccc(COC[C@H]2CCOC2)cc1 ZINC000049690347 181194411 /nfs/dbraw/zinc/19/44/11/181194411.db2.gz HNKZPAXPHQPVKY-NSHDSACASA-N 1 0 234.299 1.524 10 0 BDAERO NC(=[NH2+])c1cccnc1OCC1CCOCC1 ZINC000052154720 181196495 /nfs/dbraw/zinc/19/64/95/181196495.db2.gz RMDXVSGNLVAWGQ-UHFFFAOYSA-N 1 0 235.287 1.171 10 0 BDAERO NC(=[NH2+])c1ccc(OCc2ccccn2)cc1 ZINC000019486386 181195286 /nfs/dbraw/zinc/19/52/86/181195286.db2.gz SWZGTHAKKWVKPX-UHFFFAOYSA-N 1 0 227.267 1.945 10 0 BDAERO NC(=[NH2+])c1ccccc1OC[C@@H]1CCCCO1 ZINC000020076675 181196387 /nfs/dbraw/zinc/19/63/87/181196387.db2.gz RSGBKBWAPSRXSG-JTQLQIEISA-N 1 0 234.299 1.919 10 0 BDAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC2(CCC2)C1 ZINC000335823465 355544464 /nfs/dbraw/zinc/54/44/64/355544464.db2.gz QSJQROIDQCCJAH-VHSXEESVSA-N 1 0 226.295 1.089 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335830023 355556029 /nfs/dbraw/zinc/55/60/29/355556029.db2.gz HZLLMVJSDYBCJM-NEPJUHHUSA-N 1 0 236.363 1.633 10 0 BDAERO NC(=[NH2+])c1ncccc1COC[C@@H]1CCCO1 ZINC000061658590 181196818 /nfs/dbraw/zinc/19/68/18/181196818.db2.gz ZATOVYVDCQAQJV-JTQLQIEISA-N 1 0 235.287 1.061 10 0 BDAERO [NH2+]=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)NC1CCCC1 ZINC000249985700 181197442 /nfs/dbraw/zinc/19/74/42/181197442.db2.gz ZDCSKTCWWOIFEB-QJPTWQEYSA-N 1 0 237.347 1.610 10 0 BDAERO NC(=[NH2+])c1ncccc1COC1CCOCC1 ZINC000061658833 181197509 /nfs/dbraw/zinc/19/75/09/181197509.db2.gz KICNUIIAUHNYTA-UHFFFAOYSA-N 1 0 235.287 1.061 10 0 BDAERO NC(=[NH2+])c1ccnc(OCCc2ccccn2)c1 ZINC000034958511 181197756 /nfs/dbraw/zinc/19/77/56/181197756.db2.gz PMFHUEIAAQWMGS-UHFFFAOYSA-N 1 0 242.282 1.382 10 0 BDAERO CC(C)(C)OCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398654416 355586460 /nfs/dbraw/zinc/58/64/60/355586460.db2.gz BXTNJDFYYZPJNQ-YNEHKIRRSA-N 1 0 241.375 1.894 10 0 BDAERO CC(C)(C)OC(=O)N1CC2(C1)CCCC[NH2+]C2 ZINC000084234511 355652092 /nfs/dbraw/zinc/65/20/92/355652092.db2.gz MGYPDLTUENVJEL-UHFFFAOYSA-N 1 0 240.347 1.997 10 0 BDAERO CC(C)C1(C[NH2+]C[C@H]2CC(=O)N(C)C2)CC1 ZINC000639321970 355723156 /nfs/dbraw/zinc/72/31/56/355723156.db2.gz QEFZZKWALIZDLG-LLVKDONJSA-N 1 0 224.348 1.491 10 0 BDAERO NC(=O)[C@]1(O)CCC[N@H+](CC2CCCCC2)C1 ZINC000336322450 181205525 /nfs/dbraw/zinc/20/55/25/181205525.db2.gz CCCQHKQQFWQXKC-ZDUSSCGKSA-N 1 0 240.347 1.929 10 0 BDAERO [NH2+]=C1c2ccccc2CN1CCn1ccnc1 ZINC000042541540 181208303 /nfs/dbraw/zinc/20/83/03/181208303.db2.gz UCEOKWHVGVZTFR-UHFFFAOYSA-N 1 0 226.283 1.724 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000389139818 355730334 /nfs/dbraw/zinc/73/03/34/355730334.db2.gz GUCRXMMWLRRTGJ-ZDUSSCGKSA-N 1 0 236.363 1.648 10 0 BDAERO CO[C@H](C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000389200950 355849100 /nfs/dbraw/zinc/84/91/00/355849100.db2.gz DIPILBAPAXMZBQ-ZJUUUORDSA-N 1 0 203.326 1.408 10 0 BDAERO C[C@@H]1CSCCN1[C@@]1(C[NH3+])CCSC1 ZINC000226393789 355861597 /nfs/dbraw/zinc/86/15/97/355861597.db2.gz LIROYOBWLHVZQW-NXEZZACHSA-N 1 0 232.418 1.258 10 0 BDAERO C[C@@H]1CC[C@@H]([NH+]2CCN(c3nccn3C)CC2)C1 ZINC000336033820 134059119 /nfs/dbraw/zinc/05/91/19/134059119.db2.gz MRRLCRTTZPOTEW-CHWSQXEVSA-N 1 0 248.374 1.731 10 0 BDAERO CCCn1cc(C[NH2+][C@@H]2CCN(CC)C2)cn1 ZINC000389285758 355948641 /nfs/dbraw/zinc/94/86/41/355948641.db2.gz VYFGCZMJUQTHJR-CYBMUJFWSA-N 1 0 236.363 1.477 10 0 BDAERO NC(=O)CC[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000037483798 181226930 /nfs/dbraw/zinc/22/69/30/181226930.db2.gz JDFIYHJBQCCPHV-SECBINFHSA-N 1 0 214.215 1.230 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1cc(Br)cs1 ZINC000020577854 181245101 /nfs/dbraw/zinc/24/51/01/181245101.db2.gz SVXFPPZIXIHKJI-YFKPBYRVSA-N 1 0 249.133 1.386 10 0 BDAERO CC1(CNc2ncnc3[nH]ccc32)CC[NH2+]CC1 ZINC000420235929 192182168 /nfs/dbraw/zinc/18/21/68/192182168.db2.gz ZHOKPDNXEJSUNZ-UHFFFAOYSA-N 1 0 245.330 1.181 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCC1)c1cccs1 ZINC000041672065 181265140 /nfs/dbraw/zinc/26/51/40/181265140.db2.gz MOJIOBZZKWMOEQ-JTQLQIEISA-N 1 0 224.329 1.807 10 0 BDAERO CCC(F)(F)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000639479862 356292455 /nfs/dbraw/zinc/29/24/55/356292455.db2.gz CJIGAYDDGITYGV-JTQLQIEISA-N 1 0 218.291 1.812 10 0 BDAERO NC(=O)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000049814798 181266427 /nfs/dbraw/zinc/26/64/27/181266427.db2.gz ICHRALFZEAFPIS-SECBINFHSA-N 1 0 210.302 1.370 10 0 BDAERO NC(=O)[C@@H]1CCCN(CC(=O)c2ccccc2)C1 ZINC000035036823 181269945 /nfs/dbraw/zinc/26/99/45/181269945.db2.gz GSIZURUIVQWPDL-GFCCVEGCSA-N 1 0 246.310 1.067 10 0 BDAERO NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H]1CC=CCC1 ZINC000037941327 181278795 /nfs/dbraw/zinc/27/87/95/181278795.db2.gz OKJOSENXJYHKNK-UONOGXRCSA-N 1 0 244.338 1.986 10 0 BDAERO NC(=O)[C@H]([NH2+]CC1CC1)c1cccc(Cl)c1 ZINC000038000906 181278902 /nfs/dbraw/zinc/27/89/02/181278902.db2.gz VWWBRMNKPKOGEL-LLVKDONJSA-N 1 0 238.718 1.866 10 0 BDAERO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc2c1NCC2 ZINC000130476612 181282586 /nfs/dbraw/zinc/28/25/86/181282586.db2.gz WIZIYWZKCWJLJE-GFCCVEGCSA-N 1 0 245.326 1.104 10 0 BDAERO CC[C@H]([NH2+]Cc1ncn(C)n1)[C@H]1CC1(C)C ZINC000397689073 363485702 /nfs/dbraw/zinc/48/57/02/363485702.db2.gz WMGTVVADAIIDNI-ZJUUUORDSA-N 1 0 222.336 1.729 10 0 BDAERO CO[C@@](C)(C[NH2+]CC(C)(C)O)c1ccccc1 ZINC000384368504 356626930 /nfs/dbraw/zinc/62/69/30/356626930.db2.gz JKQGPODSSMYJJS-AWEZNQCLSA-N 1 0 237.343 1.909 10 0 BDAERO CC(C)C(=O)N1CCOc2ccccc2[C@@H]1C[NH3+] ZINC000675058091 538480895 /nfs/dbraw/zinc/48/08/95/538480895.db2.gz RRRMEQXJPXSCED-LBPRGKRZSA-N 1 0 248.326 1.563 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([NH3+])[C@@H]21 ZINC000675058544 538481135 /nfs/dbraw/zinc/48/11/35/538481135.db2.gz KYYGMGVJOMVZFY-LPEHRKFASA-N 1 0 226.320 1.733 10 0 BDAERO [NH3+]C[C@@H]1c2ccccc2OCCN1C(=O)C1CC1 ZINC000675058171 538481648 /nfs/dbraw/zinc/48/16/48/538481648.db2.gz VNFVUNLCQGFGCB-GFCCVEGCSA-N 1 0 246.310 1.317 10 0 BDAERO Cn1cncc1[C@@H]1[C@H](CO)CCC[N@@H+]1C1CC1 ZINC000675058591 538481957 /nfs/dbraw/zinc/48/19/57/538481957.db2.gz NEXMBLHCCYTXQB-GWCFXTLKSA-N 1 0 235.331 1.328 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@H]1n1cc(C[NH3+])nn1 ZINC000675051616 538474689 /nfs/dbraw/zinc/47/46/89/538474689.db2.gz PNJKMGVFCNAYBK-SCZZXKLOSA-N 1 0 208.309 1.734 10 0 BDAERO CC(C)CC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675055966 538476826 /nfs/dbraw/zinc/47/68/26/538476826.db2.gz FMCUXTBGRQQFEQ-DGCLKSJQSA-N 1 0 224.348 1.681 10 0 BDAERO CCCC(=O)NC[C@@]1(CCC)C[NH2+]CCO1 ZINC000675059544 538484035 /nfs/dbraw/zinc/48/40/35/538484035.db2.gz SBKNQTYOQSKXJF-GFCCVEGCSA-N 1 0 228.336 1.061 10 0 BDAERO CC(C)C(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675068821 538496880 /nfs/dbraw/zinc/49/68/80/538496880.db2.gz DVRHMCKXJYVBEO-CHWFTXMASA-N 1 0 210.321 1.132 10 0 BDAERO CCOC(=O)[C@@H]1C[Si]2(CCCC2)C[NH2+]1 ZINC000675061236 538486888 /nfs/dbraw/zinc/48/68/88/538486888.db2.gz YMADUFJEQFIZDD-VIFPVBQESA-N 1 0 213.353 1.303 10 0 BDAERO Cc1cn2c(n1)[C@H]([C@H]1CCOC1)[NH2+]CCC2 ZINC000675067338 538493616 /nfs/dbraw/zinc/49/36/16/538493616.db2.gz ALCOUQARDBWZTO-QWRGUYRKSA-N 1 0 221.304 1.262 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675070178 538500310 /nfs/dbraw/zinc/50/03/10/538500310.db2.gz MXCXPJKUVJDMGM-GVXVVHGQSA-N 1 0 224.348 1.537 10 0 BDAERO Cn1ncc(N)c1-c1cc(C[NH+](C)C)ccc1F ZINC000675070689 538501320 /nfs/dbraw/zinc/50/13/20/538501320.db2.gz RUUFFKSCOPCEKK-UHFFFAOYSA-N 1 0 248.305 1.870 10 0 BDAERO COC(=O)[C@H](C[NH3+])C1C[C@@H](C)C[C@H](C)C1 ZINC000675072241 538502555 /nfs/dbraw/zinc/50/25/55/538502555.db2.gz AIEXRAHPUSSBPU-ATZCPNFKSA-N 1 0 213.321 1.807 10 0 BDAERO C[C@@H]([NH3+])CCNc1nnc(C(F)(F)F)s1 ZINC000168094156 134156179 /nfs/dbraw/zinc/15/61/79/134156179.db2.gz JSLODESXHQUVTL-SCSAIBSYSA-N 1 0 240.254 1.706 10 0 BDAERO COCCC(=O)NCCCC1([NH3+])CCCCC1 ZINC000675074528 538507436 /nfs/dbraw/zinc/50/74/36/538507436.db2.gz YLXDREUQTZQGNK-UHFFFAOYSA-N 1 0 242.363 1.581 10 0 BDAERO CC(C)(C)C(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675068871 538497618 /nfs/dbraw/zinc/49/76/18/538497618.db2.gz FHIIKYOYTDCHTM-ZNSHCXBVSA-N 1 0 224.348 1.522 10 0 BDAERO CCCNC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675069516 538498112 /nfs/dbraw/zinc/49/81/12/538498112.db2.gz HUKOKPWEGROLOM-DBIOUOCHSA-N 1 0 225.336 1.069 10 0 BDAERO CC[NH2+][C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000675069220 538498473 /nfs/dbraw/zinc/49/84/73/538498473.db2.gz CWZWRLRBXNDCPZ-GFCCVEGCSA-N 1 0 248.326 1.406 10 0 BDAERO O[C@@H]1C=C(CCC(F)(F)Cl)C[NH2+]C1 ZINC000675076752 538511217 /nfs/dbraw/zinc/51/12/17/538511217.db2.gz GFIKVZVLKARZHI-SSDOTTSWSA-N 1 0 211.639 1.489 10 0 BDAERO [NH3+][C@H]1C=C(c2c(F)cccc2F)CNC1 ZINC000675077656 538513770 /nfs/dbraw/zinc/51/37/70/538513770.db2.gz GYUXVFPUTKFUCS-QMMMGPOBSA-N 1 0 210.227 1.279 10 0 BDAERO [NH3+][C@@H]1C=C(c2cc(F)cc(F)c2)CNC1 ZINC000675077529 538513951 /nfs/dbraw/zinc/51/39/51/538513951.db2.gz FZRWAPRTBALPOE-LLVKDONJSA-N 1 0 210.227 1.279 10 0 BDAERO N[C@H]1C=C(CCc2ccccc2)C[NH2+]C1 ZINC000675078181 538515193 /nfs/dbraw/zinc/51/51/93/538515193.db2.gz NABRMJPPRVYESH-ZDUSSCGKSA-N 1 0 202.301 1.476 10 0 BDAERO [NH3+][C@@H]1C=C(c2ccc(F)cc2F)CNC1 ZINC000675078347 538515516 /nfs/dbraw/zinc/51/55/16/538515516.db2.gz OWVQDNNJBJYPPL-SECBINFHSA-N 1 0 210.227 1.279 10 0 BDAERO O[C@H]1C=C(c2ccc(F)cc2F)C[NH2+]C1 ZINC000675078300 538515669 /nfs/dbraw/zinc/51/56/69/538515669.db2.gz WZLPESRTSYYNIA-VIFPVBQESA-N 1 0 211.211 1.312 10 0 BDAERO N[C@H]1C=C(c2cccc(Cl)c2)C[NH2+]C1 ZINC000675078790 538515770 /nfs/dbraw/zinc/51/57/70/538515770.db2.gz SOCGLLGQJBUXDM-NSHDSACASA-N 1 0 208.692 1.654 10 0 BDAERO [NH3+][C@H]1C=C(c2c(F)cccc2Cl)CNC1 ZINC000675078254 538516314 /nfs/dbraw/zinc/51/63/14/538516314.db2.gz OFTJCDUQDWHNON-QMMMGPOBSA-N 1 0 226.682 1.793 10 0 BDAERO N[C@@H]1C=C(c2ccc(F)c(Cl)c2)C[NH2+]C1 ZINC000675079085 538518099 /nfs/dbraw/zinc/51/80/99/538518099.db2.gz VSRMRWCNXZDPIV-SECBINFHSA-N 1 0 226.682 1.793 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2ncc(F)cn2)C1 ZINC000389467212 356682446 /nfs/dbraw/zinc/68/24/46/356682446.db2.gz UCVSHXILEYQIJO-SECBINFHSA-N 1 0 210.256 1.122 10 0 BDAERO Cc1ccc(F)cc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077566 538512615 /nfs/dbraw/zinc/51/26/15/538512615.db2.gz OIHKVWZKCPEUFF-NSHDSACASA-N 1 0 207.248 1.482 10 0 BDAERO Cc1ccc(C)c(C2=C[C@@H](N)C[NH2+]C2)c1 ZINC000675077408 538512746 /nfs/dbraw/zinc/51/27/46/538512746.db2.gz DSRWXJNBTMAJNG-GFCCVEGCSA-N 1 0 202.301 1.617 10 0 BDAERO CC(C)C[NH2+]CCN1C[C@@H]2CCC[C@H]2C1 ZINC000126547604 538534208 /nfs/dbraw/zinc/53/42/08/538534208.db2.gz KSXYGKJTVDIEND-STQMWFEESA-N 1 0 210.365 1.964 10 0 BDAERO CC(C)CC(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000220485776 538543010 /nfs/dbraw/zinc/54/30/10/538543010.db2.gz NSYJKXNQBOCUKT-UHFFFAOYSA-N 1 0 210.321 1.245 10 0 BDAERO CCn1cc(C(=O)C[C@@H]2CCC[NH2+]2)cn1 ZINC000086499605 538555713 /nfs/dbraw/zinc/55/57/13/538555713.db2.gz ZFNYQDWBOURSDT-JTQLQIEISA-N 1 0 207.277 1.228 10 0 BDAERO O=C(C[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000086499782 538556267 /nfs/dbraw/zinc/55/62/67/538556267.db2.gz UFHVVGJSBXELIU-SECBINFHSA-N 1 0 205.261 1.192 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000153370984 538577904 /nfs/dbraw/zinc/57/79/04/538577904.db2.gz PMEJDGLNTDXLSE-WOPDTQHZSA-N 1 0 215.337 1.410 10 0 BDAERO Cn1cncc1[C@H]1[C@H](C[NH3+])CCCN1C1CC1 ZINC000090166649 538591572 /nfs/dbraw/zinc/59/15/72/538591572.db2.gz ZOZIDWDWOURKED-GXFFZTMASA-N 1 0 234.347 1.294 10 0 BDAERO Cc1cccc(C[NH2+][C@H](C(N)=O)C(C)C)c1 ZINC000223960649 538597256 /nfs/dbraw/zinc/59/72/56/538597256.db2.gz VKRQMUKUPQCJNS-LBPRGKRZSA-N 1 0 220.316 1.595 10 0 BDAERO Cc1ccc(C[NH2+][C@@H](C(N)=O)C(C)C)o1 ZINC000223962463 538597892 /nfs/dbraw/zinc/59/78/92/538597892.db2.gz NSNVSIDWDDRJOW-SNVBAGLBSA-N 1 0 210.277 1.188 10 0 BDAERO C[C@H](O)C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000578187161 366371964 /nfs/dbraw/zinc/37/19/64/366371964.db2.gz RWGGPXUEOJAPRG-GUBZILKMSA-N 1 0 201.310 1.160 10 0 BDAERO CCc1csc(NC2(C[NH3+])CCC2)n1 ZINC000129843454 356985714 /nfs/dbraw/zinc/98/57/14/356985714.db2.gz GQYJHAPUFSWZJT-UHFFFAOYSA-N 1 0 211.334 1.999 10 0 BDAERO C/C(=C/Cl)CN1CC[NH2+]C[C@@H](C)C1 ZINC000385218952 357017290 /nfs/dbraw/zinc/01/72/90/357017290.db2.gz GFXBNDADPAPSSF-HYHWUIIZSA-N 1 0 202.729 1.670 10 0 BDAERO CCc1nc(C)cc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389719870 357019354 /nfs/dbraw/zinc/01/93/54/357019354.db2.gz DSOZMBBECTXUQE-GXSJLCMTSA-N 1 0 234.347 1.179 10 0 BDAERO CC1CC(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000390638390 357109456 /nfs/dbraw/zinc/10/94/56/357109456.db2.gz MHNDIUOUHRXBCG-WIFZPCQCSA-N 1 0 210.321 1.228 10 0 BDAERO COc1cccc(C(=O)C(C)(C)[NH3+])c1F ZINC000168675808 357057374 /nfs/dbraw/zinc/05/73/74/357057374.db2.gz IAAUOFQFNUQOBJ-UHFFFAOYSA-N 1 0 211.236 1.754 10 0 BDAERO C[C@H](CN[C@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000389925275 357068706 /nfs/dbraw/zinc/06/87/06/357068706.db2.gz VQJLQXDJIMSPJY-HIFRSBDPSA-N 1 0 248.370 1.791 10 0 BDAERO C[C@H]([NH3+])c1cncn1Cc1ccccc1 ZINC000129957970 357079578 /nfs/dbraw/zinc/07/95/78/357079578.db2.gz YYRWQJHTEJYXRY-JTQLQIEISA-N 1 0 201.273 1.951 10 0 BDAERO C[C@H]1C[N@H+](CCC2OCCCO2)CCS1 ZINC000129969744 357091940 /nfs/dbraw/zinc/09/19/40/357091940.db2.gz FUYGVQYXZONEON-JTQLQIEISA-N 1 0 231.361 1.577 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@](C)(O)COC ZINC000390454622 357093708 /nfs/dbraw/zinc/09/37/08/357093708.db2.gz CGGSVCPKGIGPIK-UPJWGTAASA-N 1 0 229.364 1.942 10 0 BDAERO CCN(CC)[C@@H](C[NH3+])c1ccc(O)cc1 ZINC000026443238 357121514 /nfs/dbraw/zinc/12/15/14/357121514.db2.gz MEBCLOVKYLOCTL-LBPRGKRZSA-N 1 0 208.305 1.734 10 0 BDAERO Cc1ccsc1[C@H]([NH3+])c1cnn(C)c1 ZINC000035381532 357211396 /nfs/dbraw/zinc/21/13/96/357211396.db2.gz QMKCWFDNTJYVMU-SECBINFHSA-N 1 0 207.302 1.838 10 0 BDAERO Cc1ccc2oc(N3CC[C@@H]([NH3+])C3)nc2c1 ZINC000212133370 357226460 /nfs/dbraw/zinc/22/64/60/357226460.db2.gz IKTXDRCOLPWJJW-SECBINFHSA-N 1 0 217.272 1.674 10 0 BDAERO Cc1ccc2oc(N3CC[C@H]([NH3+])C3)nc2c1 ZINC000212133316 357226557 /nfs/dbraw/zinc/22/65/57/357226557.db2.gz IKTXDRCOLPWJJW-VIFPVBQESA-N 1 0 217.272 1.674 10 0 BDAERO CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CO)CS1 ZINC000393448962 357309126 /nfs/dbraw/zinc/30/91/26/357309126.db2.gz VMONDKDVTLNTKU-UKKRHICBSA-N 1 0 215.362 1.487 10 0 BDAERO CC[C@H](CCO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000393661368 357291558 /nfs/dbraw/zinc/29/15/58/357291558.db2.gz URRYVGQAGOFDHR-NXEZZACHSA-N 1 0 203.326 1.144 10 0 BDAERO C[C@]1(C(=O)NCC2(C3CC3)CCC2)CCC[NH2+]1 ZINC000393350171 357308351 /nfs/dbraw/zinc/30/83/51/357308351.db2.gz QHWBDIADTSNDAK-CYBMUJFWSA-N 1 0 236.359 1.825 10 0 BDAERO CCC1(C[NH2+][C@@H]2CCCC[C@H]2O)COC1 ZINC000393979066 357313692 /nfs/dbraw/zinc/31/36/92/357313692.db2.gz XAKXTGNZKCSUSD-GHMZBOCLSA-N 1 0 213.321 1.306 10 0 BDAERO CCOc1ccc2[nH]c(=O)c(C[NH3+])cc2c1 ZINC000011980116 538839207 /nfs/dbraw/zinc/83/92/07/538839207.db2.gz NKUTZCNRISCOAF-UHFFFAOYSA-N 1 0 218.256 1.386 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCC(C)(C)CO ZINC000395162804 357415656 /nfs/dbraw/zinc/41/56/56/357415656.db2.gz NSXFJPBCAUIUKZ-SNVBAGLBSA-N 1 0 217.353 1.392 10 0 BDAERO [NH3+][C@@H]1c2c(Br)cccc2CC[C@@H]1O ZINC000039941501 491110637 /nfs/dbraw/zinc/11/06/37/491110637.db2.gz ACUGHLWGEVRFJO-WPRPVWTQSA-N 1 0 242.116 1.756 10 0 BDAERO C[NH2+]C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000224033547 357460777 /nfs/dbraw/zinc/46/07/77/357460777.db2.gz XMTRPEYIALXYDZ-NXEZZACHSA-N 1 0 240.347 1.851 10 0 BDAERO CCCC1(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188681106 357571411 /nfs/dbraw/zinc/57/14/11/357571411.db2.gz KQZBWCZVDVYYHI-VHSXEESVSA-N 1 0 228.311 1.383 10 0 BDAERO O=C(NCCCC1CCCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188368677 357528447 /nfs/dbraw/zinc/52/84/47/357528447.db2.gz LGHSTIHZEWFWDR-NWDGAFQWSA-N 1 0 242.338 1.773 10 0 BDAERO CC1CCC(C[NH2+]CCCS(C)(=O)=O)CC1 ZINC000063145421 357533966 /nfs/dbraw/zinc/53/39/66/357533966.db2.gz PGVLLEZBBJKWGB-UHFFFAOYSA-N 1 0 247.404 1.837 10 0 BDAERO C[C@@H]([NH3+])CCNc1ccc(S(C)(=O)=O)cc1 ZINC000063171711 357552795 /nfs/dbraw/zinc/55/27/95/357552795.db2.gz GULWJUYVWQEGNH-SECBINFHSA-N 1 0 242.344 1.239 10 0 BDAERO Cn1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000230899194 357578953 /nfs/dbraw/zinc/57/89/53/357578953.db2.gz VGZDXIADKOKXSX-XQQFMLRXSA-N 1 0 249.358 1.366 10 0 BDAERO C[C@@H]1C(=O)NCCCN1Cc1cccc(F)c1 ZINC000189082058 357603407 /nfs/dbraw/zinc/60/34/07/357603407.db2.gz CDYXGXQTZADVFZ-SNVBAGLBSA-N 1 0 236.290 1.536 10 0 BDAERO CCC(CC)C[NH2+]C[C@H]1CN(CC)CCO1 ZINC000159262938 538876385 /nfs/dbraw/zinc/87/63/85/538876385.db2.gz MRUFTSHHVAFXQZ-ZDUSSCGKSA-N 1 0 228.380 1.733 10 0 BDAERO FC(F)COCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000189224452 357610671 /nfs/dbraw/zinc/61/06/71/357610671.db2.gz WGWOCFQOOIIMDZ-SNVBAGLBSA-N 1 0 234.290 1.048 10 0 BDAERO CC(C)=CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000231447629 357614328 /nfs/dbraw/zinc/61/43/28/357614328.db2.gz APAOMMTVPQNZNO-NSHDSACASA-N 1 0 222.332 1.696 10 0 BDAERO CN(CCC1=[NH+]CCN1)C(=O)OC(C)(C)C ZINC000685945548 538886902 /nfs/dbraw/zinc/88/69/02/538886902.db2.gz ZCFIUXXWRZMMQX-UHFFFAOYSA-N 1 0 227.308 1.245 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000685945939 538887616 /nfs/dbraw/zinc/88/76/16/538887616.db2.gz HEHHXEAMXBKUSZ-NWDGAFQWSA-N 1 0 208.280 1.620 10 0 BDAERO CC(C)(C)NC(=O)NC[C@@]12CC[C@@H]1CC[NH2+]2 ZINC000685946436 538887901 /nfs/dbraw/zinc/88/79/01/538887901.db2.gz KNIOISLPXGUBCV-SKDRFNHKSA-N 1 0 225.336 1.226 10 0 BDAERO CCC(C)(C)NC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685946357 538888050 /nfs/dbraw/zinc/88/80/50/538888050.db2.gz QTRSTHFKRJNTBZ-DTWKUNHWSA-N 1 0 231.315 1.256 10 0 BDAERO CCCCNC(=O)NC1(C)CCC([NH3+])CC1 ZINC000685947279 538889117 /nfs/dbraw/zinc/88/91/17/538889117.db2.gz IFEWLATXNSUWJJ-UHFFFAOYSA-N 1 0 227.352 1.746 10 0 BDAERO Cc1sc(C[NH3+])nc1C(=O)OC(C)(C)C ZINC000685947369 538889130 /nfs/dbraw/zinc/88/91/30/538889130.db2.gz UYADDNATAVXVET-UHFFFAOYSA-N 1 0 228.317 1.866 10 0 BDAERO CCCCNC(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000685948153 538890646 /nfs/dbraw/zinc/89/06/46/538890646.db2.gz ZKBUHTRNHYCSIY-NSHDSACASA-N 1 0 213.325 1.309 10 0 BDAERO CCOc1ccc([C@H]2CC[NH2+]C[C@@H]2N)cc1 ZINC000685948587 538891277 /nfs/dbraw/zinc/89/12/77/538891277.db2.gz QRAFEXXOVXNDQE-OLZOCXBDSA-N 1 0 220.316 1.490 10 0 BDAERO C[C@H]1CN([C@H]2CCOC23CCCC3)CC[NH2+]1 ZINC000685948780 538892034 /nfs/dbraw/zinc/89/20/34/538892034.db2.gz FSOUWRMEMOHLCA-RYUDHWBXSA-N 1 0 224.348 1.382 10 0 BDAERO CCCS(=O)(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685949252 538892414 /nfs/dbraw/zinc/89/24/14/538892414.db2.gz NIPWGIIUTYAACY-MNOVXSKESA-N 1 0 246.376 1.072 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685949284 538892681 /nfs/dbraw/zinc/89/26/81/538892681.db2.gz OCJBEUMEAQHTPQ-GWCFXTLKSA-N 1 0 224.348 1.905 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000232629538 357669521 /nfs/dbraw/zinc/66/95/21/357669521.db2.gz HDDQQGSWNRQXAO-CHWSQXEVSA-N 1 0 225.332 1.880 10 0 BDAERO C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000397690367 357637643 /nfs/dbraw/zinc/63/76/43/357637643.db2.gz AFEKYLZXNBETIF-QJPTWQEYSA-N 1 0 215.337 1.288 10 0 BDAERO CC(C)COCC[N@@H+]1CCC[C@H]1CCCO ZINC000232664279 357681948 /nfs/dbraw/zinc/68/19/48/357681948.db2.gz XNDLCTYJWUNAPL-ZDUSSCGKSA-N 1 0 229.364 1.896 10 0 BDAERO CCC(=O)CC[NH+]1CCC(n2cncn2)CC1 ZINC000190205629 357693057 /nfs/dbraw/zinc/69/30/57/357693057.db2.gz IVUIHLZOPHYGQX-UHFFFAOYSA-N 1 0 236.319 1.284 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397840700 357730229 /nfs/dbraw/zinc/73/02/29/357730229.db2.gz VQECZYWHURATPR-YFKTTZPYSA-N 1 0 222.332 1.291 10 0 BDAERO CC[C@@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191351354 357765951 /nfs/dbraw/zinc/76/59/51/357765951.db2.gz NAUAKNYARZESJS-VXGBXAGGSA-N 1 0 224.348 1.729 10 0 BDAERO C[C@H]1CCCC[C@@H]1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191661238 357782142 /nfs/dbraw/zinc/78/21/42/357782142.db2.gz DIAKSWWVOXJOEI-QWHCGFSZSA-N 1 0 238.375 1.977 10 0 BDAERO 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CCOC1CCN(c2cc[nH+]cc2N)CC1 ZINC000040689319 535400996 /nfs/dbraw/zinc/40/09/96/535400996.db2.gz ILZPLPPMXLDQJC-UHFFFAOYSA-N 1 0 221.304 1.669 10 0 BDAERO CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)C(C)C ZINC000086271650 491123765 /nfs/dbraw/zinc/12/37/65/491123765.db2.gz NOQWJKGRPQHZCF-MXWKQRLJSA-N 1 0 212.337 1.535 10 0 BDAERO CCCN(CCC)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040629668 358244133 /nfs/dbraw/zinc/24/41/33/358244133.db2.gz YXIHJQUEDPDVDW-GHMZBOCLSA-N 1 0 228.336 1.012 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000040630490 358244372 /nfs/dbraw/zinc/24/43/72/358244372.db2.gz WOOAZRWWBASUPW-DGCLKSJQSA-N 1 0 248.326 1.619 10 0 BDAERO CCc1ccc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)cc1 ZINC000040630665 358244530 /nfs/dbraw/zinc/24/45/30/358244530.db2.gz VBNKQDKWZMNXPR-CHWSQXEVSA-N 1 0 248.326 1.564 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(C(C)=O)cc1 ZINC000040854171 358247542 /nfs/dbraw/zinc/24/75/42/358247542.db2.gz XHPHUFIOGOLERZ-GFCCVEGCSA-N 1 0 234.299 1.955 10 0 BDAERO COC[C@H]([NH3+])c1ccc(-n2cccn2)c(F)c1 ZINC000584595156 358252450 /nfs/dbraw/zinc/25/24/50/358252450.db2.gz HJIFNMOYKGYGPH-NSHDSACASA-N 1 0 235.262 1.658 10 0 BDAERO [NH3+]C1(COc2ccc(C(F)(F)F)cn2)CC1 ZINC000584603280 358261955 /nfs/dbraw/zinc/26/19/55/358261955.db2.gz PNJPYBDYRFRWQU-UHFFFAOYSA-N 1 0 232.205 1.971 10 0 BDAERO CC[C@@H]1CC[C@@H](CCN2CCOCC2)[N@H+](C)C1 ZINC000584607091 358267341 /nfs/dbraw/zinc/26/73/41/358267341.db2.gz BAJZBVGOCVSYOU-KGLIPLIRSA-N 1 0 240.391 1.829 10 0 BDAERO NC(=O)c1cnc([C@H]2CCC[NH2+]C2)c2cc[nH]c21 ZINC000584620201 358287074 /nfs/dbraw/zinc/28/70/74/358287074.db2.gz SNGWIGGPYLEURA-QMMMGPOBSA-N 1 0 244.298 1.129 10 0 BDAERO NC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000052000885 181296555 /nfs/dbraw/zinc/29/65/55/181296555.db2.gz QLRYYRKKDJSJAU-QWHCGFSZSA-N 1 0 248.326 1.179 10 0 BDAERO COc1ccc(CN2C[C@@H]([NH3+])CCC2=O)cc1 ZINC000584627585 358297503 /nfs/dbraw/zinc/29/75/03/358297503.db2.gz ZFXJNCNUJMIHKP-NSHDSACASA-N 1 0 234.299 1.145 10 0 BDAERO 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CC(C)c1nsc(N2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000227077263 358348113 /nfs/dbraw/zinc/34/81/13/358348113.db2.gz RPVOFUHLGFUSIL-DTWKUNHWSA-N 1 0 240.376 1.835 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C[C@]1(C)CCCO1 ZINC000227894387 358365948 /nfs/dbraw/zinc/36/59/48/358365948.db2.gz ZOBYYUGRAXVCBM-STQMWFEESA-N 1 0 245.363 1.323 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC(F)(F)C(F)F)C1 ZINC000230694989 358410154 /nfs/dbraw/zinc/41/01/54/358410154.db2.gz LCMGRVPEAAXKIZ-NTSWFWBYSA-N 1 0 242.216 1.130 10 0 BDAERO CSC1(C[NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000388904144 363608525 /nfs/dbraw/zinc/60/85/25/363608525.db2.gz NYUIXRAMSCXIIO-UWVGGRQHSA-N 1 0 215.362 1.775 10 0 BDAERO Cc1cnc(C)c(NCC2CC[NH2+]CC2)n1 ZINC000044509177 358388860 /nfs/dbraw/zinc/38/88/60/358388860.db2.gz IGYOOXOZLQJFAZ-UHFFFAOYSA-N 1 0 220.320 1.505 10 0 BDAERO COC1CC[NH+](C[C@H]2CCCC2=O)CC1 ZINC000053926759 358581162 /nfs/dbraw/zinc/58/11/62/358581162.db2.gz HLDUZYNTBJQZEP-SNVBAGLBSA-N 1 0 211.305 1.466 10 0 BDAERO 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O=C1C(C[NH2+]C2CC2)=CC2=CC=C[C@H]3CCN1[C@H]23 ZINC000039287477 358702580 /nfs/dbraw/zinc/70/25/80/358702580.db2.gz YQIGDEWJVXUFIJ-HZMBPMFUSA-N 1 0 242.322 1.392 10 0 BDAERO CCC[N@H+](CC)CCNC(=O)N[C@@H]1C[C@@H]1C ZINC000175762100 134289001 /nfs/dbraw/zinc/28/90/01/134289001.db2.gz AJDGOJCNAKHPRY-WDEREUQCSA-N 1 0 227.352 1.426 10 0 BDAERO FCCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000131782147 358692767 /nfs/dbraw/zinc/69/27/67/358692767.db2.gz TYKNOTWXVZBPKW-LLVKDONJSA-N 1 0 226.299 1.350 10 0 BDAERO CC(C)OCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000133113408 358746316 /nfs/dbraw/zinc/74/63/16/358746316.db2.gz KGHZLHLTRTVCRR-CYBMUJFWSA-N 1 0 226.364 1.582 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N(C)CC[NH+](C)C ZINC000176139826 134290389 /nfs/dbraw/zinc/29/03/89/134290389.db2.gz AICQNZKKVKBURI-SNVBAGLBSA-N 1 0 215.341 1.234 10 0 BDAERO COc1cc(OC)nc(N[C@H](C)CCC[NH3+])n1 ZINC000135020493 358817044 /nfs/dbraw/zinc/81/70/44/358817044.db2.gz ITRNWJXWIVJZCB-MRVPVSSYSA-N 1 0 240.307 1.033 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1nccn1C ZINC000135604414 358845369 /nfs/dbraw/zinc/84/53/69/358845369.db2.gz PWMROGAZDUDNMH-TUAOUCFPSA-N 1 0 237.347 1.764 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCC1 ZINC000135581806 358845499 /nfs/dbraw/zinc/84/54/99/358845499.db2.gz SCHWSWOAVVPZIP-LBPRGKRZSA-N 1 0 239.363 1.665 10 0 BDAERO CC(C)C[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000053697439 358902482 /nfs/dbraw/zinc/90/24/82/358902482.db2.gz LITNNHISEBPMSJ-GFCCVEGCSA-N 1 0 234.347 1.691 10 0 BDAERO C[NH2+][C@@H]1CCN([C@H]2CCS[C@@H]2C)C1 ZINC000300353963 358971370 /nfs/dbraw/zinc/97/13/70/358971370.db2.gz ZYTKBFURDCHCKB-BBBLOLIVSA-N 1 0 200.351 1.174 10 0 BDAERO CC[C@H](C(=O)OC)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177707959 134301828 /nfs/dbraw/zinc/30/18/28/134301828.db2.gz RZTDALLJZSDIER-NWDGAFQWSA-N 1 0 242.363 1.354 10 0 BDAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000306150661 358924834 /nfs/dbraw/zinc/92/48/34/358924834.db2.gz CNGZKBGZGHBVAI-OQPBUACISA-N 1 0 215.343 1.608 10 0 BDAERO 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NC(=S)N1CC[NH+](C2CCCCC2)CC1 ZINC000002599549 181318411 /nfs/dbraw/zinc/31/84/11/181318411.db2.gz LLHQDMNCESCGDX-UHFFFAOYSA-N 1 0 227.377 1.180 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc(C)ncn2)C1 ZINC000309626321 491153086 /nfs/dbraw/zinc/15/30/86/491153086.db2.gz GNTDGCORPUVFLC-MWLCHTKSSA-N 1 0 220.320 1.537 10 0 BDAERO C[C@@H]1[NH2+]CCN(C/C(Cl)=C\Cl)[C@H]1C ZINC000379472502 360951999 /nfs/dbraw/zinc/95/19/99/360951999.db2.gz SPXRQBWQAPAQRO-LSUQNPSCSA-N 1 0 223.147 1.988 10 0 BDAERO COc1nccc(C[NH3+])c1OC(F)(F)F ZINC000238425229 361031422 /nfs/dbraw/zinc/03/14/22/361031422.db2.gz PPCOYYIJIQLHKU-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO COc1nccc(OC(F)(F)F)c1C[NH3+] ZINC000238428129 361032234 /nfs/dbraw/zinc/03/22/34/361032234.db2.gz CESJIEDEQACQBI-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+]C[C@@H]1CCSC1 ZINC000224395149 491154292 /nfs/dbraw/zinc/15/42/92/491154292.db2.gz PORVAOGNYFGFOC-QWRGUYRKSA-N 1 0 215.362 1.898 10 0 BDAERO C[C@H]([NH3+])c1noc(Cc2cccs2)n1 ZINC000041052179 361206295 /nfs/dbraw/zinc/20/62/95/361206295.db2.gz DACPOYDENMCTQN-LURJTMIESA-N 1 0 209.274 1.742 10 0 BDAERO Nc1cc[nH+]cc1C[C@H](O)C(F)(F)F ZINC000069941428 361163477 /nfs/dbraw/zinc/16/34/77/361163477.db2.gz GVLHKELVSURRIH-ZETCQYMHSA-N 1 0 206.167 1.130 10 0 BDAERO [NH3+][C@@]1(c2nc3c(s2)CCC3)CCSC1 ZINC000041060138 361240565 /nfs/dbraw/zinc/24/05/65/361240565.db2.gz NWZOEJSKKVARPH-JTQLQIEISA-N 1 0 226.370 1.923 10 0 BDAERO CCCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159546373 361251798 /nfs/dbraw/zinc/25/17/98/361251798.db2.gz ROWDXHZMUPHUFZ-LBPRGKRZSA-N 1 0 212.337 1.825 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000379723341 361359772 /nfs/dbraw/zinc/35/97/72/361359772.db2.gz NHWIOYURZJFRKO-JHJVBQTASA-N 1 0 240.391 1.610 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CCCO2)o1 ZINC000309811564 491157080 /nfs/dbraw/zinc/15/70/80/491157080.db2.gz UIWKLOSTOZEMPA-KWQFWETISA-N 1 0 224.304 1.949 10 0 BDAERO CC[C@@H](C)[N@H+](C)CCNCc1cnn(C)c1C ZINC000161782485 201112191 /nfs/dbraw/zinc/11/21/91/201112191.db2.gz GJMJFCKHGOXAJS-LLVKDONJSA-N 1 0 238.379 1.548 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000432729962 201164138 /nfs/dbraw/zinc/16/41/38/201164138.db2.gz JADLHLGLFHCUOF-JHJVBQTASA-N 1 0 227.348 1.648 10 0 BDAERO NC1=C(Cl)[C@H]2C[NH2+]CC[C@@H]2C(Cl)=C1 ZINC000100004580 181337738 /nfs/dbraw/zinc/33/77/38/181337738.db2.gz JCTADJFYXZGJBO-WDSKDSINSA-N 1 0 219.115 1.758 10 0 BDAERO C[C@@H](NC(=O)CCC[NH3+])c1cc(F)ccc1F ZINC000037007699 361592362 /nfs/dbraw/zinc/59/23/62/361592362.db2.gz DXPNOVUFNAEYFD-MRVPVSSYSA-N 1 0 242.269 1.881 10 0 BDAERO C[C@](O)(C[NH3+])c1ccc(F)cc1Cl ZINC000070602816 361589643 /nfs/dbraw/zinc/58/96/43/361589643.db2.gz QZMXVCBITRVEAZ-VIFPVBQESA-N 1 0 203.644 1.645 10 0 BDAERO C[C@]([NH3+])(CO)c1ccc(F)cc1Cl ZINC000070602758 361590070 /nfs/dbraw/zinc/59/00/70/361590070.db2.gz YASIQERZLJCBAH-VIFPVBQESA-N 1 0 203.644 1.645 10 0 BDAERO Brc1cccnc1SC1C[NH2+]C1 ZINC000070615512 361626408 /nfs/dbraw/zinc/62/64/08/361626408.db2.gz FNUJGUHDVPNCCK-UHFFFAOYSA-N 1 0 245.145 1.908 10 0 BDAERO [NH3+]C1CCC(C(=O)NC2CCCCC2)CC1 ZINC000037481561 181340730 /nfs/dbraw/zinc/34/07/30/181340730.db2.gz DPWGHEINGXMHJV-UHFFFAOYSA-N 1 0 224.348 1.953 10 0 BDAERO Cc1c(Cl)nnc(N2CC[NH2+]CC2)c1C ZINC000070616282 361632667 /nfs/dbraw/zinc/63/26/67/361632667.db2.gz AHMHBULWASBHEF-UHFFFAOYSA-N 1 0 226.711 1.156 10 0 BDAERO [NH3+]C1CC(Nc2ccc(Br)cn2)C1 ZINC000036268733 181340495 /nfs/dbraw/zinc/34/04/95/181340495.db2.gz UJERBLKVHYACKR-UHFFFAOYSA-N 1 0 242.120 1.746 10 0 BDAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CCCCO2)CC1 ZINC000042823620 181340660 /nfs/dbraw/zinc/34/06/60/181340660.db2.gz IWFXFXIMYFYETR-MCIGGMRASA-N 1 0 240.347 1.189 10 0 BDAERO CN1C(=O)CC[C@@H]([NH3+])[C@H]1c1ccsc1 ZINC000070621688 361651156 /nfs/dbraw/zinc/65/11/56/361651156.db2.gz BLSFMJCUAAJDOZ-PSASIEDQSA-N 1 0 210.302 1.369 10 0 BDAERO C[NH2+]Cc1csc(N2CC[C@H](C)C2)n1 ZINC000070628821 361682174 /nfs/dbraw/zinc/68/21/74/361682174.db2.gz AVORVYOLQRZHII-QMMMGPOBSA-N 1 0 211.334 1.709 10 0 BDAERO [NH3+]C1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000104325892 181344794 /nfs/dbraw/zinc/34/47/94/181344794.db2.gz UUYAAOYZOYCUIC-UHFFFAOYSA-N 1 0 249.358 1.308 10 0 BDAERO [NH3+]C1CN(C(=O)c2ccc3ccccc3c2)C1 ZINC000104313915 181345266 /nfs/dbraw/zinc/34/52/66/181345266.db2.gz PGLFIDDKYXGBPQ-UHFFFAOYSA-N 1 0 226.279 1.623 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)o1 ZINC000037164866 361712148 /nfs/dbraw/zinc/71/21/48/361712148.db2.gz QBGBRZLVNYISCA-MNOVXSKESA-N 1 0 209.289 1.981 10 0 BDAERO CC(C)C[S@](=O)[C@@H]1CC[C@@H]([NH3+])[C@@H]1C ZINC000224924269 363951294 /nfs/dbraw/zinc/95/12/94/363951294.db2.gz CFRNMRANEVHHTR-WTBMIXGQSA-N 1 0 203.351 1.517 10 0 BDAERO CC(C)(C)NC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241512 541329900 /nfs/dbraw/zinc/32/99/00/541329900.db2.gz GYBINMKBUQRHGH-UHFFFAOYSA-N 1 0 225.336 1.322 10 0 BDAERO CO[C@@H]1CN(C(=O)c2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630362723 364082569 /nfs/dbraw/zinc/08/25/69/364082569.db2.gz PSQOMQRISVZMFX-JSGCOSHPSA-N 1 0 248.326 1.265 10 0 BDAERO CO[C@@H]1CN(C(=O)CC2CCC2)[C@](C)(C[NH3+])C1 ZINC000630365992 364082975 /nfs/dbraw/zinc/08/29/75/364082975.db2.gz JPBAQMZWCJHUMQ-AAEUAGOBSA-N 1 0 240.347 1.141 10 0 BDAERO CO[C@@H]1CN(Cc2ccncc2C)[C@@](C)(C[NH3+])C1 ZINC000630366457 364086235 /nfs/dbraw/zinc/08/62/35/364086235.db2.gz KQTIYVLMJIEPCF-UONOGXRCSA-N 1 0 249.358 1.328 10 0 BDAERO [NH3+]CC(=O)Nc1cccc(OC(F)F)c1 ZINC000037025253 181355619 /nfs/dbraw/zinc/35/56/19/181355619.db2.gz PTTVVHFJVUYYJJ-UHFFFAOYSA-N 1 0 216.187 1.185 10 0 BDAERO CC[C@@H](NC1CCC(C)(C[NH3+])CC1)C(=O)OC ZINC000725262672 541335831 /nfs/dbraw/zinc/33/58/31/541335831.db2.gz APLNCWBSIHIODF-QWKFWESOSA-N 1 0 242.363 1.435 10 0 BDAERO CCNC(=O)C[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000725263541 541337052 /nfs/dbraw/zinc/33/70/52/541337052.db2.gz OOEXHKSXGKOHAM-LBPRGKRZSA-N 1 0 248.326 1.190 10 0 BDAERO CC(C)(C)NC(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264572 541337500 /nfs/dbraw/zinc/33/75/00/541337500.db2.gz XDPMZMXJBZAZIH-MFKMUULPSA-N 1 0 239.363 1.759 10 0 BDAERO CC(C)(C)NC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264573 541337626 /nfs/dbraw/zinc/33/76/26/541337626.db2.gz XDPMZMXJBZAZIH-ZWNOBZJWSA-N 1 0 239.363 1.759 10 0 BDAERO COc1cccnc1NCCC[NH2+]C(C)C ZINC000630509100 364194580 /nfs/dbraw/zinc/19/45/80/364194580.db2.gz VANNGCAHSGZHII-UHFFFAOYSA-N 1 0 223.320 1.890 10 0 BDAERO [NH3+]CC1(C(=O)NC2CCCCC2)CCC1 ZINC000082641487 181359103 /nfs/dbraw/zinc/35/91/03/181359103.db2.gz NKCNHQRRUVUUIR-UHFFFAOYSA-N 1 0 210.321 1.564 10 0 BDAERO CCCOc1nccnc1N[C@H](C)CCC[NH3+] ZINC000630517853 364203110 /nfs/dbraw/zinc/20/31/10/364203110.db2.gz PULMENSROLITAS-SNVBAGLBSA-N 1 0 238.335 1.227 10 0 BDAERO CCCOc1nccnc1N[C@@H](C)CCC[NH3+] ZINC000630517849 364203610 /nfs/dbraw/zinc/20/36/10/364203610.db2.gz PULMENSROLITAS-JTQLQIEISA-N 1 0 238.335 1.227 10 0 BDAERO C[C@H]1CC[C@H](N=c2[nH]c3ccccc3o2)C[NH2+]1 ZINC000630533025 364222970 /nfs/dbraw/zinc/22/29/70/364222970.db2.gz MRXQAMOJPVJVLX-UWVGGRQHSA-N 1 0 231.299 1.802 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C)cc(C)n1 ZINC000630529436 364217394 /nfs/dbraw/zinc/21/73/94/364217394.db2.gz UUYLOLZCEJOEEL-WDEREUQCSA-N 1 0 220.320 1.646 10 0 BDAERO C[NH2+]CCOCCN(C)c1nc2ccccc2o1 ZINC000630530915 364219881 /nfs/dbraw/zinc/21/98/81/364219881.db2.gz PVBMJGUBNGNJLM-UHFFFAOYSA-N 1 0 249.314 1.500 10 0 BDAERO [NH3+]CC1(C(=O)N2CCc3ccccc32)CC1 ZINC000077308301 181358812 /nfs/dbraw/zinc/35/88/12/181358812.db2.gz CPIYWVMJYWEWGO-UHFFFAOYSA-N 1 0 216.284 1.315 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(OC(F)F)cn1 ZINC000630544700 364240149 /nfs/dbraw/zinc/24/01/49/364240149.db2.gz INUPUCKMLUKQSA-IONNQARKSA-N 1 0 243.257 1.845 10 0 BDAERO CCC[C@H](CCO)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000631670913 364241046 /nfs/dbraw/zinc/24/10/46/364241046.db2.gz XMNPQIGPTPRWJO-FDYHWXHSSA-N 1 0 241.375 1.941 10 0 BDAERO [NH3+]CC1(NC(=O)C2[C@@H]3CCCC[C@H]23)CCCC1 ZINC000132727420 181360837 /nfs/dbraw/zinc/36/08/37/181360837.db2.gz AFZIKGWTQNXMGW-FOSCPWQOSA-N 1 0 236.359 1.810 10 0 BDAERO C[C@@H]1CN(c2nnc(C(F)F)s2)C[C@@H]1C[NH3+] ZINC000630554516 364250642 /nfs/dbraw/zinc/25/06/42/364250642.db2.gz PTQHZQVBSWAMGD-RITPCOANSA-N 1 0 248.302 1.507 10 0 BDAERO C[C@H]1CN(c2ncccc2Cl)C[C@@H]1C[NH3+] ZINC000630566633 364263677 /nfs/dbraw/zinc/26/36/77/364263677.db2.gz DPRGVQHDLZEZCA-IUCAKERBSA-N 1 0 225.723 1.766 10 0 BDAERO C[C@H]1CN(c2ncnc3sccc32)C[C@H]1C[NH3+] ZINC000630569954 364266170 /nfs/dbraw/zinc/26/61/70/364266170.db2.gz LDMHQBIVGWIFBH-DTWKUNHWSA-N 1 0 248.355 1.722 10 0 BDAERO Cc1cnc(C)c(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630571778 364267435 /nfs/dbraw/zinc/26/74/35/364267435.db2.gz PTPKZQIWMRFNRC-KWQFWETISA-N 1 0 220.320 1.124 10 0 BDAERO C[C@H]1CN(c2ccncc2Cl)C[C@@H]1C[NH3+] ZINC000630572299 364268697 /nfs/dbraw/zinc/26/86/97/364268697.db2.gz QXXGZNOFFAWRHK-IUCAKERBSA-N 1 0 225.723 1.766 10 0 BDAERO C[C@@H]1CN(c2nc3ccccc3[nH]2)C[C@H]1C[NH3+] ZINC000630575023 364273702 /nfs/dbraw/zinc/27/37/02/364273702.db2.gz WTIYIBPHOVUBCA-NXEZZACHSA-N 1 0 230.315 1.594 10 0 BDAERO C[C@@H]1CC[C@H](Nc2ncncc2Cl)C[NH2+]1 ZINC000630533756 364225829 /nfs/dbraw/zinc/22/58/29/364225829.db2.gz QXMJNGGSSXESMF-SFYZADRCSA-N 1 0 226.711 1.682 10 0 BDAERO COc1cc(C)nc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630534320 364226638 /nfs/dbraw/zinc/22/66/38/364226638.db2.gz WEEWVGWMXSVAPH-SCZZXKLOSA-N 1 0 236.319 1.346 10 0 BDAERO CCOc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)ncn1 ZINC000630535628 364228584 /nfs/dbraw/zinc/22/85/84/364228584.db2.gz YERQLVPFCKNBNB-ZJUUUORDSA-N 1 0 236.319 1.428 10 0 BDAERO Cc1cccc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630534880 364229713 /nfs/dbraw/zinc/22/97/13/364229713.db2.gz QEPPCDHVFYTGKD-KOLCDFICSA-N 1 0 205.305 1.942 10 0 BDAERO COc1ccnc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630535722 364231344 /nfs/dbraw/zinc/23/13/44/364231344.db2.gz ZHOGIIRZSOABIO-DTWKUNHWSA-N 1 0 222.292 1.038 10 0 BDAERO [NH3+]CC1(Nc2ccccc2)CCOCC1 ZINC000082640158 181361746 /nfs/dbraw/zinc/36/17/46/181361746.db2.gz FCVVTLGIIPGUKS-UHFFFAOYSA-N 1 0 206.289 1.606 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000037622728 364337897 /nfs/dbraw/zinc/33/78/97/364337897.db2.gz WGIXVTMUOVTXBK-ZYANWLCNSA-N 1 0 240.347 1.140 10 0 BDAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1ccccn1 ZINC000037626246 364354566 /nfs/dbraw/zinc/35/45/66/364354566.db2.gz PDSRAKDYBPYFSC-VOMCLLRMSA-N 1 0 247.342 1.776 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2CCC2)C1 ZINC000170831261 364389388 /nfs/dbraw/zinc/38/93/88/364389388.db2.gz VBLONIPMJJUKDF-NSHDSACASA-N 1 0 225.336 1.132 10 0 BDAERO [NH3+]CC1(c2ccc3c(c2)OCCO3)CC1 ZINC000036924948 181362937 /nfs/dbraw/zinc/36/29/37/181362937.db2.gz GPRDEUNBHVBTET-UHFFFAOYSA-N 1 0 205.257 1.448 10 0 BDAERO [NH3+]CC1(c2cccnc2Br)CC1 ZINC000095761260 181362953 /nfs/dbraw/zinc/36/29/53/181362953.db2.gz DLNFRDVSDGHBDN-UHFFFAOYSA-N 1 0 227.105 1.834 10 0 BDAERO CCC[C@H](CC)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170835024 364442324 /nfs/dbraw/zinc/44/23/24/364442324.db2.gz MKYAXVFWUFFXGI-RYUDHWBXSA-N 1 0 241.379 1.911 10 0 BDAERO COCC[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000246918234 364615393 /nfs/dbraw/zinc/61/53/93/364615393.db2.gz IENIWNMMIZJKFE-QJPTWQEYSA-N 1 0 215.337 1.552 10 0 BDAERO [NH3+]CCC(=O)OCCc1ccc2c(c1)CCCO2 ZINC000077427821 181370552 /nfs/dbraw/zinc/37/05/52/181370552.db2.gz HRTQXKKXQSDKHW-UHFFFAOYSA-N 1 0 249.310 1.446 10 0 BDAERO [NH3+]CCC(=O)OCc1ccccc1Cl ZINC000040410857 181370560 /nfs/dbraw/zinc/37/05/60/181370560.db2.gz LWDOCPAZNUJEAH-UHFFFAOYSA-N 1 0 213.664 1.732 10 0 BDAERO CCc1nc(CNCC[C@@H](C)[NH3+])cs1 ZINC000336891804 364790254 /nfs/dbraw/zinc/79/02/54/364790254.db2.gz JAAGRQXLYQMSPN-MRVPVSSYSA-N 1 0 213.350 1.532 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C ZINC000081941083 541383408 /nfs/dbraw/zinc/38/34/08/541383408.db2.gz SBNAQCQQUKJXSQ-GHMZBOCLSA-N 1 0 247.404 1.978 10 0 BDAERO [NH3+]CCCCCOc1ccc2c(c1)OCO2 ZINC000041242251 181374892 /nfs/dbraw/zinc/37/48/92/181374892.db2.gz ABZDPCYWVIIZGR-UHFFFAOYSA-N 1 0 223.272 1.923 10 0 BDAERO [NH3+]CCCN(C(=O)C1CC1)c1ccccc1F ZINC000020232935 181379584 /nfs/dbraw/zinc/37/95/84/181379584.db2.gz PEIRECOGOUBAMN-UHFFFAOYSA-N 1 0 236.290 1.918 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC000252647429 541451383 /nfs/dbraw/zinc/45/13/83/541451383.db2.gz UFGHGXPWDNPGSC-UPJWGTAASA-N 1 0 226.364 1.485 10 0 BDAERO [NH3+]CCCOc1cccc(NC(=O)C2CC2)c1 ZINC000020224687 181384332 /nfs/dbraw/zinc/38/43/32/181384332.db2.gz QIFCBNLDCBYULR-UHFFFAOYSA-N 1 0 234.299 1.763 10 0 BDAERO [NH3+]CCC[C@H](C(=O)NC1CC1)c1ccncc1 ZINC000076615385 181385423 /nfs/dbraw/zinc/38/54/23/181385423.db2.gz GKUPGRIETRPJLE-LBPRGKRZSA-N 1 0 233.315 1.183 10 0 BDAERO [NH3+]CCCc1nc(-c2ccc(O)cc2)n[nH]1 ZINC000061844143 181387226 /nfs/dbraw/zinc/38/72/26/181387226.db2.gz HAXZGPVARDAHSJ-UHFFFAOYSA-N 1 0 218.260 1.069 10 0 BDAERO [NH3+]CCCc1nnc(Cc2cccs2)o1 ZINC000050283644 181388069 /nfs/dbraw/zinc/38/80/69/181388069.db2.gz JILPKILJAKDRSI-UHFFFAOYSA-N 1 0 223.301 1.613 10 0 BDAERO [NH3+]CCCn1cnc2cc(Cl)cnc21 ZINC000036252708 181388931 /nfs/dbraw/zinc/38/89/31/181388931.db2.gz DXQRZCOUUZVQND-UHFFFAOYSA-N 1 0 210.668 1.434 10 0 BDAERO [NH3+]CCCn1ccnc1-c1cccs1 ZINC000045047988 181389073 /nfs/dbraw/zinc/38/90/73/181389073.db2.gz NGXYEHZFEDIGKT-UHFFFAOYSA-N 1 0 207.302 1.960 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2nccs2)C1 ZINC000238583809 181391650 /nfs/dbraw/zinc/39/16/50/181391650.db2.gz NHEIEOZGDIISLY-SECBINFHSA-N 1 0 211.334 1.281 10 0 BDAERO [NH3+]CCN(Cc1cccnc1)C[C@H]1CCCO1 ZINC000076618310 181390442 /nfs/dbraw/zinc/39/04/42/181390442.db2.gz YZNKYYVOCHELSE-CYBMUJFWSA-N 1 0 235.331 1.021 10 0 BDAERO [NH3+]CCN(c1cnccn1)C1CCCC1 ZINC000053706142 181390483 /nfs/dbraw/zinc/39/04/83/181390483.db2.gz JHTYVCARKFFPIM-UHFFFAOYSA-N 1 0 206.293 1.184 10 0 BDAERO [NH3+]CCN(Cc1ccccc1)C(=O)c1ccco1 ZINC000020183602 181390520 /nfs/dbraw/zinc/39/05/20/181390520.db2.gz MABVIVIORXVOPX-UHFFFAOYSA-N 1 0 244.294 1.881 10 0 BDAERO [NH3+]CCN(C(=O)c1ccc2c(c1)COC2)C1CC1 ZINC000104217370 181390972 /nfs/dbraw/zinc/39/09/72/181390972.db2.gz ZXENDRFVSOUNDI-UHFFFAOYSA-N 1 0 246.310 1.280 10 0 BDAERO CCCCN(C)[C@@H](C[NH3+])c1ccncc1 ZINC000032021209 168784283 /nfs/dbraw/zinc/78/42/83/168784283.db2.gz FMEADUDWTRFVLH-LBPRGKRZSA-N 1 0 207.321 1.813 10 0 BDAERO [NH3+]CCN[C@@H]1CSCc2ccccc21 ZINC000037713024 181396380 /nfs/dbraw/zinc/39/63/80/181396380.db2.gz GLQZMDVJUFKQJV-LLVKDONJSA-N 1 0 208.330 1.523 10 0 BDAERO [NH3+]CCNc1nccc2cc3c(cc21)OCO3 ZINC000082766392 181398514 /nfs/dbraw/zinc/39/85/14/181398514.db2.gz QIMRXTIOIKQGPS-UHFFFAOYSA-N 1 0 231.255 1.334 10 0 BDAERO [NH3+]CCNc1ccnc(Nc2ccc(F)cc2)n1 ZINC000070451216 181398712 /nfs/dbraw/zinc/39/87/12/181398712.db2.gz PLRLFJVFSZYNGY-UHFFFAOYSA-N 1 0 247.277 1.730 10 0 BDAERO [NH3+]CCOCc1cccc(Br)c1 ZINC000028522038 181399500 /nfs/dbraw/zinc/39/95/00/181399500.db2.gz DDRNTIQVUWNPGD-UHFFFAOYSA-N 1 0 230.105 1.924 10 0 BDAERO [NH3+]CCSCC(=O)Nc1ccccc1F ZINC000019433860 181401256 /nfs/dbraw/zinc/40/12/56/181401256.db2.gz ICHYVOMPGRKLOV-UHFFFAOYSA-N 1 0 228.292 1.456 10 0 BDAERO [NH3+]CC[C@@H](O)CCOc1cccc2cccnc21 ZINC000041297515 181402923 /nfs/dbraw/zinc/40/29/23/181402923.db2.gz YBRSKXZOMDACQM-GFCCVEGCSA-N 1 0 246.310 1.713 10 0 BDAERO [NH3+]CC[S@@](=O)c1ccccc1Br ZINC000040954880 181411191 /nfs/dbraw/zinc/41/11/91/181411191.db2.gz BKBFOACQJUOXFF-LBPRGKRZSA-N 1 0 248.145 1.515 10 0 BDAERO [NH3+]CCc1cnc(Cc2cccs2)nc1 ZINC000054857468 181413124 /nfs/dbraw/zinc/41/31/24/181413124.db2.gz GVXKNDNXLXDHGS-UHFFFAOYSA-N 1 0 219.313 1.630 10 0 BDAERO [NH3+]CCc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000061844122 181414281 /nfs/dbraw/zinc/41/42/81/181414281.db2.gz WFKQBOFMSLPOPD-UHFFFAOYSA-N 1 0 224.214 1.251 10 0 BDAERO CCCC(=O)N[C@@H]1CCC[N@H+](CCSC)C1 ZINC000171352308 365192961 /nfs/dbraw/zinc/19/29/61/365192961.db2.gz PXGLQMPKRWQRNF-LLVKDONJSA-N 1 0 244.404 1.730 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000019669607 181427012 /nfs/dbraw/zinc/42/70/12/181427012.db2.gz OWAXBYIEVBMTGN-QMMMGPOBSA-N 1 0 208.236 1.137 10 0 BDAERO C[C@H](C(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21)C(C)(C)C ZINC000675057242 541463074 /nfs/dbraw/zinc/46/30/74/541463074.db2.gz ZBFYBILZSBKODB-WOPDTQHZSA-N 1 0 238.375 1.879 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157192972 541476173 /nfs/dbraw/zinc/47/61/73/541476173.db2.gz KGIZCYDWOASNKJ-JQWIXIFHSA-N 1 0 212.337 1.681 10 0 BDAERO CC[C@@H]1[C@@H](C)CNc2nc(CCC[NH3+])nn21 ZINC000233929158 541510324 /nfs/dbraw/zinc/51/03/24/541510324.db2.gz LCVJGMMIIIVKQQ-DTWKUNHWSA-N 1 0 223.324 1.182 10 0 BDAERO CCc1cc2n(n1)[C@H]1CC[NH2+]C[C@@H]1CN2 ZINC000234202357 541512081 /nfs/dbraw/zinc/51/20/81/541512081.db2.gz YEBKNUKLYOTKPK-SCZZXKLOSA-N 1 0 206.293 1.022 10 0 BDAERO CCc1cn2c([nH+]1)NCC[C@H]2[C@H]1CCCO1 ZINC000234201157 541512180 /nfs/dbraw/zinc/51/21/80/541512180.db2.gz PLKDIZIZKOFDSD-WDEREUQCSA-N 1 0 221.304 1.981 10 0 BDAERO CCCc1cc2ncc3c(n2n1)CC[NH2+]C3 ZINC000233380221 541508658 /nfs/dbraw/zinc/50/86/58/541508658.db2.gz LIBCBJWLGYDQJZ-UHFFFAOYSA-N 1 0 216.288 1.328 10 0 BDAERO CCc1nnc(C[N@@H+]2CCC[C@H](C)CC2)n1C ZINC000195116936 367339952 /nfs/dbraw/zinc/33/99/52/367339952.db2.gz DECMOSLQBPHHPN-NSHDSACASA-N 1 0 236.363 2.000 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C(F)(F)F)nn1 ZINC000381606987 367437421 /nfs/dbraw/zinc/43/74/21/367437421.db2.gz OHSIFCAOTLVYSH-RITPCOANSA-N 1 0 234.225 1.065 10 0 BDAERO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@H]1CO ZINC000382339710 367509262 /nfs/dbraw/zinc/50/92/62/367509262.db2.gz ZFRIYNXDJVRLNT-BIIVOSGPSA-N 1 0 211.227 1.688 10 0 BDAERO COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000382331555 367509630 /nfs/dbraw/zinc/50/96/30/367509630.db2.gz WPSPUGTXBVVSBZ-FDYHWXHSSA-N 1 0 227.348 1.959 10 0 BDAERO CCOc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)ncn1 ZINC000382416874 367519362 /nfs/dbraw/zinc/51/93/62/367519362.db2.gz HTXXVNADMFIVMK-ZJUUUORDSA-N 1 0 236.319 1.415 10 0 BDAERO Cc1nnsc1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000384186569 367674324 /nfs/dbraw/zinc/67/43/24/367674324.db2.gz SPLMTPBSADJCRM-WCBMZHEXSA-N 1 0 240.376 1.467 10 0 BDAERO CC(C)COCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384849742 367743241 /nfs/dbraw/zinc/74/32/41/367743241.db2.gz KRRMVLJXAGKOON-NEPJUHHUSA-N 1 0 215.337 1.504 10 0 BDAERO [NH3+]C[C@@H]1CCCN(Cc2nccnc2Cl)C1 ZINC000095072566 181429707 /nfs/dbraw/zinc/42/97/07/181429707.db2.gz ADMLZRDMIKHCRB-VIFPVBQESA-N 1 0 240.738 1.301 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000055145091 181431287 /nfs/dbraw/zinc/43/12/87/181431287.db2.gz KQCVPHPEEPBYMX-GHMZBOCLSA-N 1 0 210.321 1.374 10 0 BDAERO C[C@H](CCCO)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000384637812 367710267 /nfs/dbraw/zinc/71/02/67/367710267.db2.gz WVYWFQKGPPAEFN-GHMZBOCLSA-N 1 0 217.353 1.392 10 0 BDAERO C[C@@H]1SCCS[C@@H]1[C@H]([NH3+])C1CC1 ZINC000252719159 367827649 /nfs/dbraw/zinc/82/76/49/367827649.db2.gz HAVTUZBZQWXQLK-ZQARSLAVSA-N 1 0 203.376 1.961 10 0 BDAERO CCCN(CC(F)F)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000386233952 367935801 /nfs/dbraw/zinc/93/58/01/367935801.db2.gz RFDPGXVCWZVOQJ-RKDXNWHRSA-N 1 0 234.290 1.346 10 0 BDAERO CCCN(CC(F)F)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000386587396 367996291 /nfs/dbraw/zinc/99/62/91/367996291.db2.gz UMSBPBUZAFEWOT-UWVGGRQHSA-N 1 0 248.317 1.878 10 0 BDAERO CC[C@H]1CN(c2ncccc2OC)CC[C@H]1[NH3+] ZINC000252764317 368053259 /nfs/dbraw/zinc/05/32/59/368053259.db2.gz FGXRXWLZZUQSJG-WDEREUQCSA-N 1 0 235.331 1.654 10 0 BDAERO Cc1cnc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)nc1C ZINC000386696556 368011212 /nfs/dbraw/zinc/01/12/12/368011212.db2.gz SYOCSDOIQZZBCJ-ZWNOBZJWSA-N 1 0 234.347 1.515 10 0 BDAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000215009571 368138913 /nfs/dbraw/zinc/13/89/13/368138913.db2.gz STKYNYRFLLQBPT-HZMBPMFUSA-N 1 0 209.314 1.404 10 0 BDAERO O=[S@](C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000215009622 368139412 /nfs/dbraw/zinc/13/94/12/368139412.db2.gz STKYNYRFLLQBPT-IINYFYTJSA-N 1 0 209.314 1.404 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCCC1 ZINC000387476868 368227100 /nfs/dbraw/zinc/22/71/00/368227100.db2.gz BTJAWGIXHCHRKM-KBPBESRZSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH+](CC)CCOc1ccc(N)nc1 ZINC000040239932 368330606 /nfs/dbraw/zinc/33/06/06/368330606.db2.gz HFODYROKHUKBFE-UHFFFAOYSA-N 1 0 209.293 1.384 10 0 BDAERO OCC12CC(C1)C[N@@H+]2Cc1ccccc1 ZINC000034455427 368374633 /nfs/dbraw/zinc/37/46/33/368374633.db2.gz BMVOOFXVTIMQIB-UHFFFAOYSA-N 1 0 203.285 1.643 10 0 BDAERO O=[N+]([O-])c1ccc([C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)cc1 ZINC000144200052 368394190 /nfs/dbraw/zinc/39/41/90/368394190.db2.gz CDWPCUWAPIPTCY-ADEWGFFLSA-N 1 0 218.256 1.918 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000253057637 368418509 /nfs/dbraw/zinc/41/85/09/368418509.db2.gz BHBXMQHIODFWOL-PRJMDXOYSA-N 1 0 218.391 1.487 10 0 BDAERO CC(C)[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000081060799 368572056 /nfs/dbraw/zinc/57/20/56/368572056.db2.gz CGRWROGBKIUECB-NEPJUHHUSA-N 1 0 226.364 1.784 10 0 BDAERO Cc1cnccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000111043711 368846537 /nfs/dbraw/zinc/84/65/37/368846537.db2.gz MTJADAKZQJFRSB-NSHDSACASA-N 1 0 233.315 1.718 10 0 BDAERO CC[N@H+](C)CCc1ccc(C(=O)OC)cc1 ZINC000088498564 368916281 /nfs/dbraw/zinc/91/62/81/368916281.db2.gz YLMUZWAPCGSNHB-UHFFFAOYSA-N 1 0 221.300 1.967 10 0 BDAERO COc1ccc(N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111272185 368853279 /nfs/dbraw/zinc/85/32/79/368853279.db2.gz OOTSZPFKFJGROU-ZWNOBZJWSA-N 1 0 248.326 1.514 10 0 BDAERO C[C@@H]1CN(c2ccc(N)cc2F)C[C@H](C)[N@H+]1C ZINC000115109191 368975002 /nfs/dbraw/zinc/97/50/02/368975002.db2.gz ABIICKLBBJTOHC-AOOOYVTPSA-N 1 0 237.322 1.937 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000090310351 368976970 /nfs/dbraw/zinc/97/69/70/368976970.db2.gz CDHBRVNVAGHVFF-VHSXEESVSA-N 1 0 236.315 1.480 10 0 BDAERO COC(=O)C([N+]#N)c1ccc(Cl)cc1 ZINC000114857354 368956842 /nfs/dbraw/zinc/95/68/42/368956842.db2.gz URTVRAIDPJOXIY-UHFFFAOYSA-N 1 0 210.620 1.532 10 0 BDAERO [NH3+][C@H]1CCc2c1cccc2N1CCOCC1 ZINC000115634629 369003908 /nfs/dbraw/zinc/00/39/08/369003908.db2.gz JRRRSYKGNQELGI-LBPRGKRZSA-N 1 0 218.300 1.469 10 0 BDAERO 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BDAERO [NH3+]CCN1C[C@@H](c2cnoc2)Nc2ccccc21 ZINC000616693439 369115959 /nfs/dbraw/zinc/11/59/59/369115959.db2.gz RKJYFQSOLKQTOI-LBPRGKRZSA-N 1 0 244.298 1.607 10 0 BDAERO [NH3+]C[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC000019669675 181455999 /nfs/dbraw/zinc/45/59/99/181455999.db2.gz QGNPFXXHTXAAGL-SSDOTTSWSA-N 1 0 226.226 1.276 10 0 BDAERO NC(=O)N1C[C@H](c2ncc[nH]2)Nc2ccccc21 ZINC000616690142 369112048 /nfs/dbraw/zinc/11/20/48/369112048.db2.gz BXEXAHNUHWNNGO-SECBINFHSA-N 1 0 243.270 1.462 10 0 BDAERO [NH3+]C[C@H]1CCCN1C(=O)C1[C@@H]2CCCC[C@H]12 ZINC000132820928 181459277 /nfs/dbraw/zinc/45/92/77/181459277.db2.gz OKPIJOXGXPXTAY-YIBTVLSRSA-N 1 0 222.332 1.372 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(C2CC2)n[nH]1 ZINC000238081138 181461687 /nfs/dbraw/zinc/46/16/87/181461687.db2.gz BWASSJMSVTVXFN-ZJUUUORDSA-N 1 0 248.330 1.144 10 0 BDAERO C[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000631839841 369185905 /nfs/dbraw/zinc/18/59/05/369185905.db2.gz LPPJVGODMSWIEA-KGLIPLIRSA-N 1 0 248.370 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RNLOQFOBIHHFAH-UHFFFAOYSA-N 1 0 235.331 1.858 10 0 BDAERO O[C@@H](c1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000036906347 183185874 /nfs/dbraw/zinc/18/58/74/183185874.db2.gz FHEAAAZIKNMXQH-CQSZACIVSA-N 1 0 233.311 1.655 10 0 BDAERO CCCN(C)C(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055146807 169060110 /nfs/dbraw/zinc/06/01/10/169060110.db2.gz UQULKIPSZQOPNZ-MNOVXSKESA-N 1 0 212.337 1.620 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000082990918 183188151 /nfs/dbraw/zinc/18/81/51/183188151.db2.gz KJOLYZZOUNKNJM-CHWSQXEVSA-N 1 0 220.316 1.722 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000305648019 183188858 /nfs/dbraw/zinc/18/88/58/183188858.db2.gz BDFZIPHDJFJVBK-YNEHKIRRSA-N 1 0 225.332 1.402 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000305648014 183189422 /nfs/dbraw/zinc/18/94/22/183189422.db2.gz BDFZIPHDJFJVBK-XQQFMLRXSA-N 1 0 225.332 1.402 10 0 BDAERO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1cncnc1 ZINC000082991189 183190447 /nfs/dbraw/zinc/19/04/47/183190447.db2.gz CAGDERBYQONEKQ-NWDGAFQWSA-N 1 0 221.304 1.117 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000049565153 183191892 /nfs/dbraw/zinc/19/18/92/183191892.db2.gz MKOUVNVKRMHDPW-AAVRWANBSA-N 1 0 238.375 1.506 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000052178404 183192989 /nfs/dbraw/zinc/19/29/89/183192989.db2.gz BITUDCDBVYBEAZ-VXGBXAGGSA-N 1 0 213.321 1.306 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(C2CC2)CC1 ZINC000310216262 183195959 /nfs/dbraw/zinc/19/59/59/183195959.db2.gz FENDYYISTSSVGP-BXUZGUMPSA-N 1 0 238.375 1.364 10 0 BDAERO O[C@@]12CCCC[C@H]1C[N@@H+](C1CCOCC1)CC2 ZINC000128498895 183217880 /nfs/dbraw/zinc/21/78/80/183217880.db2.gz WGTQYCQVOWYJTJ-GXTWGEPZSA-N 1 0 239.359 1.792 10 0 BDAERO O[C@H](C[NH2+]C1CC1)c1c[nH]c2ccccc21 ZINC000071519735 183222541 /nfs/dbraw/zinc/22/25/41/183222541.db2.gz KNBGWEDDDFNTGI-CYBMUJFWSA-N 1 0 216.284 1.953 10 0 BDAERO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1cncnc1 ZINC000082991188 183231186 /nfs/dbraw/zinc/23/11/86/183231186.db2.gz CAGDERBYQONEKQ-NEPJUHHUSA-N 1 0 221.304 1.117 10 0 BDAERO O[C@H](c1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000032104413 183229387 /nfs/dbraw/zinc/22/93/87/183229387.db2.gz UVBJEHDVTOBHLF-SMDDNHRTSA-N 1 0 249.310 1.491 10 0 BDAERO O[C@H](c1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000036906326 183229687 /nfs/dbraw/zinc/22/96/87/183229687.db2.gz HTBLWKRTXHLAEJ-PELKAZGASA-N 1 0 227.254 1.998 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000042541192 183231709 /nfs/dbraw/zinc/23/17/09/183231709.db2.gz JKIYNILVZABBPJ-RYUDHWBXSA-N 1 0 223.320 1.166 10 0 BDAERO O[C@H]1CCOC[C@@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062955762 183241070 /nfs/dbraw/zinc/24/10/70/183241070.db2.gz PTDFSKKPGHYENE-STQMWFEESA-N 1 0 239.359 1.792 10 0 BDAERO O[C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000095347425 183242514 /nfs/dbraw/zinc/24/25/14/183242514.db2.gz QVQHJPYWCKXTFP-MJBXVCDLSA-N 1 0 217.312 1.889 10 0 BDAERO CCCN(CC)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000037095318 169115969 /nfs/dbraw/zinc/11/59/69/169115969.db2.gz KZIIEPIHOVYSLU-QWRGUYRKSA-N 1 0 212.337 1.776 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000037165328 183235234 /nfs/dbraw/zinc/23/52/34/183235234.db2.gz MSJAMLNCDFIAIS-PWSUYJOCSA-N 1 0 206.289 1.475 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000037166329 183235517 /nfs/dbraw/zinc/23/55/17/183235517.db2.gz LEGHMUNGPAMOHK-MNOVXSKESA-N 1 0 215.362 1.775 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]CC1CC1 ZINC000019885015 183282053 /nfs/dbraw/zinc/28/20/53/183282053.db2.gz VUNPOTZEWSYABD-NSHDSACASA-N 1 0 205.257 1.825 10 0 BDAERO Oc1ccc2c(c1)[C@@H]1OCC[NH2+][C@H]1CC2 ZINC000002528507 183281687 /nfs/dbraw/zinc/28/16/87/183281687.db2.gz RCTXZLWJOZFFFZ-RYUDHWBXSA-N 1 0 205.257 1.368 10 0 in-vitro BDAERO CCC[NH+](CCC)CC[C@@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062442183 169147357 /nfs/dbraw/zinc/14/73/57/169147357.db2.gz GNQNBTOHTKIBMJ-GFCCVEGCSA-N 1 0 242.363 1.704 10 0 BDAERO CCCN(CCC[NH3+])CC(=O)N(CC)C1CC1 ZINC000049292283 169155272 /nfs/dbraw/zinc/15/52/72/169155272.db2.gz VBFSIEOGDSBCDD-UHFFFAOYSA-N 1 0 241.379 1.058 10 0 BDAERO Oc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000037165474 183290630 /nfs/dbraw/zinc/29/06/30/183290630.db2.gz DMRCAWBVHGWYHQ-DGCLKSJQSA-N 1 0 221.300 1.785 10 0 BDAERO Oc1cccc2c1C[C@H]1[NH2+]CCC[C@@H]1C2 ZINC000027556296 183296928 /nfs/dbraw/zinc/29/69/28/183296928.db2.gz ZEGPLOZRDHDXHP-ZYHUDNBSSA-N 1 0 203.285 1.859 10 0 BDAERO CCCN(Cc1nnc(C)o1)[C@H]1CCC[NH2+]C1 ZINC000104341075 169180587 /nfs/dbraw/zinc/18/05/87/169180587.db2.gz XIQPCKBXQLIVNQ-NSHDSACASA-N 1 0 238.335 1.342 10 0 BDAERO c1c[nH]c([C@H](C2CC2)N2CC[NH2+]CC2)c1 ZINC000076583482 183327229 /nfs/dbraw/zinc/32/72/29/183327229.db2.gz MXHDLMNKZJUUOA-LBPRGKRZSA-N 1 0 205.305 1.371 10 0 BDAERO CCC[NH+]1CCN([C@](C)(CC)C[NH3+])CC1 ZINC000019431745 169204383 /nfs/dbraw/zinc/20/43/83/169204383.db2.gz FIYQBCHIOXXFPE-GFCCVEGCSA-N 1 0 213.369 1.141 10 0 BDAERO S=C1Nc2ccccc2CN1[C@H]1CC[NH2+]C1 ZINC000095078929 183313253 /nfs/dbraw/zinc/31/32/53/183313253.db2.gz KPJBTMBDMDVDBP-JTQLQIEISA-N 1 0 233.340 1.561 10 0 BDAERO c1cc2n[nH]nc2c(C[NH+]2CCCC2)c1 ZINC000095934319 183338919 /nfs/dbraw/zinc/33/89/19/183338919.db2.gz CWCPPFXYMYNRKN-UHFFFAOYSA-N 1 0 202.261 1.554 10 0 BDAERO CCCNC(=O)C[NH2+]CCC(C)(C)C ZINC000037489036 169226349 /nfs/dbraw/zinc/22/63/49/169226349.db2.gz HQVYJTRIFJHGEC-UHFFFAOYSA-N 1 0 200.326 1.538 10 0 BDAERO CCCNC(=O)COc1cccc([C@H](C)[NH3+])c1 ZINC000019397737 169231520 /nfs/dbraw/zinc/23/15/20/169231520.db2.gz IEHUYXUOBKRMMI-JTQLQIEISA-N 1 0 236.315 1.611 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1ccccn1 ZINC000076610675 169232593 /nfs/dbraw/zinc/23/25/93/169232593.db2.gz ITMJJRIHNRWFIT-JTQLQIEISA-N 1 0 221.304 1.040 10 0 BDAERO CCC[N@@H+]1CC[C@H](N2CCOCC2)C[C@@H]1C ZINC000073655937 169209169 /nfs/dbraw/zinc/20/91/69/169209169.db2.gz XMOZGVBWDAJKOY-STQMWFEESA-N 1 0 226.364 1.582 10 0 BDAERO CCCN1c2ccccc2C[C@H]1C1=[NH+]CCN1 ZINC000029337301 169211498 /nfs/dbraw/zinc/21/14/98/169211498.db2.gz ZYYGDUFRXNYWNW-ZDUSSCGKSA-N 1 0 229.327 1.829 10 0 BDAERO c1cc(COC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000051815356 183355417 /nfs/dbraw/zinc/35/54/17/183355417.db2.gz JJVPGVWEWWUBAG-GFCCVEGCSA-N 1 0 206.289 1.598 10 0 BDAERO c1nncn1-c1cccc(NC2CC[NH2+]CC2)c1 ZINC000038041057 183357032 /nfs/dbraw/zinc/35/70/32/183357032.db2.gz OWWFVANGPLHHDW-UHFFFAOYSA-N 1 0 243.314 1.431 10 0 BDAERO CCC[NH2+]CCC(=O)c1ccc2c(c1)OCO2 ZINC000049827214 169257180 /nfs/dbraw/zinc/25/71/80/169257180.db2.gz WHOXQMQNVZWZAX-UHFFFAOYSA-N 1 0 235.283 1.988 10 0 BDAERO CCC[NH2+]CC[C@@H](O)c1ccc(F)c(N)c1 ZINC000098125048 169261476 /nfs/dbraw/zinc/26/14/76/169261476.db2.gz RJNOMQPOBPWELP-GFCCVEGCSA-N 1 0 226.295 1.831 10 0 BDAERO c1cc(OC[C@H]2C[NH2+]CCO2)cc2c1CCC2 ZINC000011587424 183370573 /nfs/dbraw/zinc/37/05/73/183370573.db2.gz IEJJSYQSEBZGFL-CQSZACIVSA-N 1 0 233.311 1.543 10 0 BDAERO CCCNC(=O)NC1CCC([NH2+]C)CC1 ZINC000036880928 169236796 /nfs/dbraw/zinc/23/67/96/169236796.db2.gz SZAAITYQKTZUSB-UHFFFAOYSA-N 1 0 213.325 1.226 10 0 BDAERO c1cc2ncc(C[C@@H]3CC[NH2+]C3)cc2[nH]1 ZINC000089221657 183377689 /nfs/dbraw/zinc/37/76/89/183377689.db2.gz SMLMAQPVAQYXLC-VIFPVBQESA-N 1 0 201.273 1.715 10 0 BDAERO CCCNC(=O)[C@@H](C)NCCC[NH+](CC)CC ZINC000020316054 169242454 /nfs/dbraw/zinc/24/24/54/169242454.db2.gz AJMXAJMGIDLFGU-GFCCVEGCSA-N 1 0 243.395 1.223 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1cccc(F)c1 ZINC000076620314 169243480 /nfs/dbraw/zinc/24/34/80/169243480.db2.gz YWONMMHDSAAIKE-LBPRGKRZSA-N 1 0 238.306 1.784 10 0 BDAERO CCCNC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339510975 169246485 /nfs/dbraw/zinc/24/64/85/169246485.db2.gz OLWKDHBCMRHTTD-JTQLQIEISA-N 1 0 212.337 1.679 10 0 BDAERO CCCNC(=O)[C@H](CC[NH3+])c1ccccn1 ZINC000076610640 169249006 /nfs/dbraw/zinc/24/90/06/169249006.db2.gz CFIQXXWQUPJSBJ-SNVBAGLBSA-N 1 0 221.304 1.040 10 0 BDAERO CCC[NH2+][C@H]1Cc2cnn3cccc(c23)C1 ZINC000029247950 169284475 /nfs/dbraw/zinc/28/44/75/169284475.db2.gz VYXFGMDFSNPGEX-GFCCVEGCSA-N 1 0 215.300 1.801 10 0 BDAERO c1nnc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000093682402 183387004 /nfs/dbraw/zinc/38/70/04/183387004.db2.gz QPJDECGFNGSCJP-UHFFFAOYSA-N 1 0 242.326 1.809 10 0 BDAERO CCC[NH2+]Cc1cc(COCCCOC)on1 ZINC000052597639 169266013 /nfs/dbraw/zinc/26/60/13/169266013.db2.gz YOFUSBDFEBQLHP-UHFFFAOYSA-N 1 0 242.319 1.727 10 0 BDAERO CCC[NH2+]Cc1ccc(-n2nc(C)nc2C)nn1 ZINC000051488578 169266894 /nfs/dbraw/zinc/26/68/94/169266894.db2.gz VZBPMUFEAVMFBN-UHFFFAOYSA-N 1 0 246.318 1.174 10 0 BDAERO CCC[NH2+]Cc1nccn1Cc1nccn1C ZINC000051005346 169269100 /nfs/dbraw/zinc/26/91/00/169269100.db2.gz WGGUXAXJFDYAIB-UHFFFAOYSA-N 1 0 233.319 1.165 10 0 BDAERO CCC[NH2+]Cc1nnnn1-c1ccc(C)cc1C ZINC000054744419 169269666 /nfs/dbraw/zinc/26/96/66/169269666.db2.gz FSCXJRMNFYARFM-UHFFFAOYSA-N 1 0 245.330 1.779 10 0 BDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1CC(C)(C)O ZINC000104407823 169276103 /nfs/dbraw/zinc/27/61/03/169276103.db2.gz PNEKZLJGUHRLJJ-STQMWFEESA-N 1 0 242.407 2.000 10 0 BDAERO CCCN[C@@H](CC[N@H+](C)C1CC1)C(=O)OCC ZINC000062445644 169278186 /nfs/dbraw/zinc/27/81/86/169278186.db2.gz SMMMVQOHZPULFV-LBPRGKRZSA-N 1 0 242.363 1.402 10 0 BDAERO CCC[NH2+][C@@H](COCC1CCCCC1)C(N)=O ZINC000052157184 169279619 /nfs/dbraw/zinc/27/96/19/169279619.db2.gz UWFFBHXDXOQUBR-LBPRGKRZSA-N 1 0 242.363 1.437 10 0 BDAERO CCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1=O ZINC000049647717 169282020 /nfs/dbraw/zinc/28/20/20/169282020.db2.gz KKQRBHVOOLWYRL-CQSZACIVSA-N 1 0 246.354 1.830 10 0 BDAERO CCC[NH2+][C@@H]1CCN([C@@H](C)[C@@H]2CCCO2)C1=O ZINC000049648173 169283420 /nfs/dbraw/zinc/28/34/20/169283420.db2.gz GQNDLQFNEWPJAI-TUAOUCFPSA-N 1 0 240.347 1.154 10 0 BDAERO CCCOCCO[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000104245955 169310040 /nfs/dbraw/zinc/31/00/40/169310040.db2.gz UTOHREITZQRGER-YPMHNXCESA-N 1 0 238.331 1.913 10 0 BDAERO CCCO[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000037024846 169310794 /nfs/dbraw/zinc/31/07/94/169310794.db2.gz WAEUJWLYZLXZGV-NXEZZACHSA-N 1 0 215.293 1.036 10 0 BDAERO CCCO[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037024844 169311608 /nfs/dbraw/zinc/31/16/08/169311608.db2.gz WAEUJWLYZLXZGV-UWVGGRQHSA-N 1 0 215.293 1.036 10 0 BDAERO CCC[NH2+][C@H]1CCN(CCc2ccncc2)C1 ZINC000048262484 169291510 /nfs/dbraw/zinc/29/15/10/169291510.db2.gz KNKNZDVFEVBHIC-AWEZNQCLSA-N 1 0 233.359 1.698 10 0 BDAERO CCC[NH2+][C@H]1CCN(CCc2ccccc2)C1=O ZINC000049647718 169291694 /nfs/dbraw/zinc/29/16/94/169291694.db2.gz KKQRBHVOOLWYRL-AWEZNQCLSA-N 1 0 246.354 1.830 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@@H]2CCC[C@@H]2OC)C1=O ZINC000050374105 169291952 /nfs/dbraw/zinc/29/19/52/169291952.db2.gz NUZRTVAFPOKWGQ-TUAOUCFPSA-N 1 0 240.347 1.154 10 0 BDAERO CCC[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000035687788 169292991 /nfs/dbraw/zinc/29/29/91/169292991.db2.gz ODLYEZGDCRAGGP-JTQLQIEISA-N 1 0 225.313 1.515 10 0 BDAERO CCCNc1ncccc1C[N@@H+]1CCC[C@H]1CO ZINC000052728250 169296393 /nfs/dbraw/zinc/29/63/93/169296393.db2.gz WVVOMRJSWANQQK-ZDUSSCGKSA-N 1 0 249.358 1.860 10 0 BDAERO CCCOc1ccc([C@H](C)[NH2+]CC(N)=O)cc1 ZINC000021954339 169321250 /nfs/dbraw/zinc/32/12/50/169321250.db2.gz NSOSQRCABPNHEL-JTQLQIEISA-N 1 0 236.315 1.611 10 0 BDAERO CCCOc1ccc([C@@H](O)[C@H](C)[NH3+])cc1 ZINC000052919387 169321643 /nfs/dbraw/zinc/32/16/43/169321643.db2.gz LYPNBFCLXLXQAJ-CABZTGNLSA-N 1 0 209.289 1.856 10 0 BDAERO CCCOc1ccccc1OCC(N)=[NH2+] ZINC000019483960 169327369 /nfs/dbraw/zinc/32/73/69/169327369.db2.gz RPSUXYGJIULWHK-UHFFFAOYSA-N 1 0 208.261 1.790 10 0 BDAERO CCCS(=O)(=O)C[C@H]([NH3+])c1ccc(C)cc1 ZINC000075417053 169329613 /nfs/dbraw/zinc/32/96/13/169329613.db2.gz KBRVTZUWDFKGRT-LBPRGKRZSA-N 1 0 241.356 1.820 10 0 BDAERO c1cnc(OCCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095092517 183483221 /nfs/dbraw/zinc/48/32/21/183483221.db2.gz ZOCASFSKLCUUHE-NSHDSACASA-N 1 0 221.304 1.778 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CC1CC1 ZINC000034939891 169368520 /nfs/dbraw/zinc/36/85/20/169368520.db2.gz FVFTVBVZEDAXND-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO c1cnc2[nH]c(NC[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092613 183486709 /nfs/dbraw/zinc/48/67/09/183486709.db2.gz KROAJTSDGOLCCK-QMMMGPOBSA-N 1 0 217.276 1.122 10 0 BDAERO CCC[C@@H](C)[NH2+]CC(=O)N[C@H](C)CC ZINC000020040483 169369753 /nfs/dbraw/zinc/36/97/53/169369753.db2.gz DZCDNYDFVSWNPE-NXEZZACHSA-N 1 0 200.326 1.679 10 0 BDAERO CCC[C@@H](C(=O)NCc1nccs1)[NH+](C)C ZINC000136286126 169344926 /nfs/dbraw/zinc/34/49/26/169344926.db2.gz KIBSIQNJGXFXIL-VIFPVBQESA-N 1 0 241.360 1.490 10 0 BDAERO CCC[C@@H](C)[NH2+][C@H](C)C(=O)NCC(C)C ZINC000034937645 169371436 /nfs/dbraw/zinc/37/14/36/169371436.db2.gz ZLPCXEJNKGSWRA-GHMZBOCLSA-N 1 0 214.353 1.925 10 0 BDAERO CCC[C@@H](CCC[NH3+])C(=O)N1CCOCC1 ZINC000076613147 169381911 /nfs/dbraw/zinc/38/19/11/169381911.db2.gz WISZCQADNNFJHS-NSHDSACASA-N 1 0 228.336 1.000 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC=CCC1 ZINC000045647307 169388811 /nfs/dbraw/zinc/38/88/11/169388811.db2.gz QMARLTNFSWKQMY-GHMZBOCLSA-N 1 0 210.321 1.586 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCCc1ccc(O)cc1 ZINC000040737041 169388828 /nfs/dbraw/zinc/38/88/28/169388828.db2.gz AWNDFWSYNZVOQN-GFCCVEGCSA-N 1 0 236.315 1.178 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCCc2occc21 ZINC000040831853 169391916 /nfs/dbraw/zinc/39/19/16/169391916.db2.gz GEUPTWHNKGRGDX-MNOVXSKESA-N 1 0 236.315 1.901 10 0 BDAERO CCC[C@@H]([NH3+])c1ccc2c(c1)oc(=O)n2C ZINC000051361966 169394071 /nfs/dbraw/zinc/39/40/71/169394071.db2.gz SYSNEUHDJYTZSP-SECBINFHSA-N 1 0 220.272 1.931 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000310010054 169418684 /nfs/dbraw/zinc/41/86/84/169418684.db2.gz IGSFOLMHIRVGIS-VXGBXAGGSA-N 1 0 247.404 1.980 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCOCCO ZINC000336732448 169419005 /nfs/dbraw/zinc/41/90/05/169419005.db2.gz JNXLUEDNEWQCDI-CHWSQXEVSA-N 1 0 229.364 1.944 10 0 BDAERO c1nc(COC[C@@H]2CCC[NH2+]C2)cs1 ZINC000051815196 183532722 /nfs/dbraw/zinc/53/27/22/183532722.db2.gz FTZWMLSSMHOTLV-SECBINFHSA-N 1 0 212.318 1.659 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]2CCC[NH2+][C@@H]2C1 ZINC000082327502 166654416 /nfs/dbraw/zinc/65/44/16/166654416.db2.gz ZWEWOQJWNGDMHO-GHMZBOCLSA-N 1 0 240.347 1.995 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC000091305065 166655984 /nfs/dbraw/zinc/65/59/84/166655984.db2.gz FZURJTVFRKRXMA-KWQFWETISA-N 1 0 212.293 1.345 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1cccnc1Cl ZINC000037019993 169503051 /nfs/dbraw/zinc/50/30/51/169503051.db2.gz ZMISNSULNFIKGG-ZETCQYMHSA-N 1 0 227.695 1.801 10 0 BDAERO CCC[C@](C)(C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000054636013 169543344 /nfs/dbraw/zinc/54/33/44/169543344.db2.gz WBSWHUVVFARCEG-NXEZZACHSA-N 1 0 219.350 1.186 10 0 BDAERO CCC[C@](C)([NH3+])c1nnc2ccc(C)nn21 ZINC000050194265 169549326 /nfs/dbraw/zinc/54/93/26/169549326.db2.gz INQKYZHXJPKQGA-NSHDSACASA-N 1 0 219.292 1.407 10 0 BDAERO CCCc1ccc(OCCOCC[NH3+])cc1 ZINC000020221446 169572539 /nfs/dbraw/zinc/57/25/39/169572539.db2.gz QRHAPPSVFUTWKO-UHFFFAOYSA-N 1 0 223.316 1.993 10 0 BDAERO CCN(C(=O)[C@H]1CCC[C@@H](C)[NH2+]1)C(C)C ZINC000037082565 169653728 /nfs/dbraw/zinc/65/37/28/169653728.db2.gz CRADWLXKXLHINH-GHMZBOCLSA-N 1 0 212.337 1.774 10 0 BDAERO COC(C)(C)CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401897916 532950871 /nfs/dbraw/zinc/95/08/71/532950871.db2.gz LNCBKZBXWBKLHB-GHMZBOCLSA-N 1 0 215.337 1.504 10 0 BDAERO COC[C@H]1C[N@H+](CCN)CC12CCCCC2 ZINC000409434821 383839014 /nfs/dbraw/zinc/83/90/14/383839014.db2.gz QTBBNUGNIOFUNP-GFCCVEGCSA-N 1 0 226.364 1.474 10 0 BDAERO COC[C@@H]1C[N@H+](CCN)CC12CCCCC2 ZINC000409434822 383840624 /nfs/dbraw/zinc/84/06/24/383840624.db2.gz QTBBNUGNIOFUNP-LBPRGKRZSA-N 1 0 226.364 1.474 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1=CCCC1 ZINC000401053539 383844581 /nfs/dbraw/zinc/84/45/81/383844581.db2.gz BYIFCRYJEJWGMB-ONGXEEELSA-N 1 0 208.305 1.353 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000069796929 383845512 /nfs/dbraw/zinc/84/55/12/383845512.db2.gz IHKBPCQCLHTOOZ-NWDGAFQWSA-N 1 0 205.305 1.294 10 0 BDAERO C[C@@]1(CN2CC[C@@H]([NH3+])C2)CCCS1 ZINC000227394496 383857215 /nfs/dbraw/zinc/85/72/15/383857215.db2.gz OEUFKOFGLBMHOZ-ZJUUUORDSA-N 1 0 200.351 1.305 10 0 BDAERO CCN1CCC[C@H](C[NH2+]C)[C@@H]1c1cnn(C)c1 ZINC000070278891 383906825 /nfs/dbraw/zinc/90/68/25/383906825.db2.gz DFUPEVKUTOENMN-DGCLKSJQSA-N 1 0 236.363 1.413 10 0 BDAERO C[NH+](C)CC(C)(C)CNCc1csnn1 ZINC000036901852 383921693 /nfs/dbraw/zinc/92/16/93/383921693.db2.gz RUARFUTXQXGPIA-UHFFFAOYSA-N 1 0 228.365 1.216 10 0 BDAERO C([NH2+]C[C@@H]1CCSC1)[C@@H]1[C@H]2COC[C@H]21 ZINC000308654122 383884098 /nfs/dbraw/zinc/88/40/98/383884098.db2.gz MWGLIFVUISQQRR-XWLWVQCSSA-N 1 0 213.346 1.222 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]CC[C@@H](O)c1ccccc1 ZINC000298479830 383904952 /nfs/dbraw/zinc/90/49/52/383904952.db2.gz SUUNPZKLNGOJIJ-MRVWCRGKSA-N 1 0 235.327 1.877 10 0 BDAERO Cc1[nH+]c(CN2CC[NH2+]CC2)c2ccccn12 ZINC000071477406 383990353 /nfs/dbraw/zinc/99/03/53/383990353.db2.gz AYZKPRSLLTXEDX-UHFFFAOYSA-N 1 0 230.315 1.048 10 0 BDAERO CC[C@@H](C)NC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643614230 383995115 /nfs/dbraw/zinc/99/51/15/383995115.db2.gz OBTJUGLVMPAABY-LLVKDONJSA-N 1 0 242.363 1.307 10 0 BDAERO Cc1ccnc(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000067894112 383956405 /nfs/dbraw/zinc/95/64/05/383956405.db2.gz YHOVLQAKQLNDTC-ZDUSSCGKSA-N 1 0 232.331 1.365 10 0 BDAERO Cc1ccnc(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000067894115 383957355 /nfs/dbraw/zinc/95/73/55/383957355.db2.gz YHOVLQAKQLNDTC-CYBMUJFWSA-N 1 0 232.331 1.365 10 0 BDAERO CCOc1ccc(-c2ccc(NN)[nH+]n2)cc1 ZINC000050194232 383965281 /nfs/dbraw/zinc/96/52/81/383965281.db2.gz XIHFQWGQIQCUBP-UHFFFAOYSA-N 1 0 230.271 1.828 10 0 BDAERO C(C[C@H]1CCOC1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000401128493 383967446 /nfs/dbraw/zinc/96/74/46/383967446.db2.gz OUHOZNKJUUBKNO-UONOGXRCSA-N 1 0 238.375 1.583 10 0 BDAERO COC[C@@]1(C(=O)Nc2ccc(C)cc2)CCC[NH2+]1 ZINC000643614836 384016791 /nfs/dbraw/zinc/01/67/91/384016791.db2.gz NEBZXDNMRKDKOE-CQSZACIVSA-N 1 0 248.326 1.702 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CO1 ZINC000401794674 384020462 /nfs/dbraw/zinc/02/04/62/384020462.db2.gz PSHMYXKEBZGDIW-BBBLOLIVSA-N 1 0 201.310 1.160 10 0 BDAERO Nc1ccccc1OC[C@@H]1CCC[NH2+]C1 ZINC000259675295 384022587 /nfs/dbraw/zinc/02/25/87/384022587.db2.gz UODHAXXYDGLJBX-SNVBAGLBSA-N 1 0 206.289 1.647 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ncc[nH]1 ZINC000278487376 384003865 /nfs/dbraw/zinc/00/38/65/384003865.db2.gz BFAVDLMYURDNHP-HBNTYKKESA-N 1 0 223.320 1.611 10 0 BDAERO CO[C@H]1CCC[C@@H]1NC1=[NH+]CCS1 ZINC000050375875 384011449 /nfs/dbraw/zinc/01/14/49/384011449.db2.gz YIFKTVFHEKGVKO-YUMQZZPRSA-N 1 0 200.307 1.246 10 0 BDAERO [NH3+][C@H]1CN(C(=O)Oc2ccccc2)CC12CC2 ZINC000090411587 384047775 /nfs/dbraw/zinc/04/77/75/384047775.db2.gz ZNEKCVPQWWZGEM-NSHDSACASA-N 1 0 232.283 1.609 10 0 BDAERO C[N@@H+]1CC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000259693311 384027394 /nfs/dbraw/zinc/02/73/94/384027394.db2.gz ZQEFORSVYCPWCY-LLVKDONJSA-N 1 0 204.273 1.205 10 0 BDAERO N[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000035676958 384089584 /nfs/dbraw/zinc/08/95/84/384089584.db2.gz NIRWEDKDQXTIRK-YFKPBYRVSA-N 1 0 221.123 1.469 10 0 BDAERO COC[C@@]1(C(=O)N[C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000643779812 384057192 /nfs/dbraw/zinc/05/71/92/384057192.db2.gz RCCCOYYLUCPEKW-WCQYABFASA-N 1 0 242.363 1.306 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2cccn2)o1 ZINC000038097533 384071540 /nfs/dbraw/zinc/07/15/40/384071540.db2.gz VLLIVWNWKRPIJA-NEPJUHHUSA-N 1 0 249.314 1.496 10 0 BDAERO CO[C@H](C)c1nsc(NC2CC[NH2+]CC2)n1 ZINC000304249437 384098496 /nfs/dbraw/zinc/09/84/96/384098496.db2.gz GSOQUULFHLZWRI-SSDOTTSWSA-N 1 0 242.348 1.409 10 0 BDAERO Cn1ncc2c1C[C@@H](c1ccco1)C[C@H]2[NH3+] ZINC000072415884 384108649 /nfs/dbraw/zinc/10/86/49/384108649.db2.gz OQSTYTDOPNZNME-WCBMZHEXSA-N 1 0 217.272 1.743 10 0 BDAERO COC[C@]1(C(=O)N(C)C2CCCC2)CCC[NH2+]1 ZINC000643624163 384118718 /nfs/dbraw/zinc/11/87/18/384118718.db2.gz KMXYENOOEKADDR-ZDUSSCGKSA-N 1 0 240.347 1.156 10 0 BDAERO CC(=O)CC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116316951 384127242 /nfs/dbraw/zinc/12/72/42/384127242.db2.gz MIJMTVKLBYJREF-NSHDSACASA-N 1 0 221.304 1.189 10 0 BDAERO CC(C)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116314139 384128957 /nfs/dbraw/zinc/12/89/57/384128957.db2.gz OSXKRPLWBPNDGF-NSHDSACASA-N 1 0 207.321 1.865 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2O)C1 ZINC000071140088 384152515 /nfs/dbraw/zinc/15/25/15/384152515.db2.gz RNUCDYXKRUATSG-SNVBAGLBSA-N 1 0 234.299 1.168 10 0 BDAERO C[C@@H]([NH3+])c1noc(COc2ccccc2)n1 ZINC000041052174 384176038 /nfs/dbraw/zinc/17/60/38/384176038.db2.gz GOGRCEAVSCQHJG-MRVPVSSYSA-N 1 0 219.244 1.668 10 0 BDAERO Cn1nc(-c2cccs2)c2c1CC[NH2+]C2 ZINC000071521351 384168280 /nfs/dbraw/zinc/16/82/80/384168280.db2.gz ZPFDIAMYHSTFLQ-UHFFFAOYSA-N 1 0 219.313 1.794 10 0 BDAERO COC[C@@]1(C(=O)NC[C@H](C)C(C)C)CCC[NH2+]1 ZINC000643710303 384170703 /nfs/dbraw/zinc/17/07/03/384170703.db2.gz ZUCPSASHJRVHKC-WCQYABFASA-N 1 0 242.363 1.163 10 0 BDAERO C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000080993956 384177227 /nfs/dbraw/zinc/17/72/27/384177227.db2.gz LACRAJXUNOXTLB-GXSJLCMTSA-N 1 0 210.321 1.433 10 0 BDAERO O=C1CC2(CC[NH2+]CC2)Oc2cccc(O)c21 ZINC000072232943 384201928 /nfs/dbraw/zinc/20/19/28/384201928.db2.gz ZDYFZFREYIKWGA-UHFFFAOYSA-N 1 0 233.267 1.480 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](C)N1CCOC(C)(C)C1 ZINC000036232348 384186325 /nfs/dbraw/zinc/18/63/25/384186325.db2.gz FQGMQPPPSKRDOW-NXEZZACHSA-N 1 0 200.326 1.223 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccco1 ZINC000282306728 384232079 /nfs/dbraw/zinc/23/20/79/384232079.db2.gz KDIZHOOFJQEYFM-WPRPVWTQSA-N 1 0 208.261 1.036 10 0 BDAERO Cc1nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cs1 ZINC000282281985 384211519 /nfs/dbraw/zinc/21/15/19/384211519.db2.gz IHJJZLHLDXBLDI-OIBJUYFYSA-N 1 0 239.344 1.208 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000227932520 134399797 /nfs/dbraw/zinc/39/97/97/134399797.db2.gz QFTYJILPBQEILE-UTUOFQBUSA-N 1 0 213.321 1.306 10 0 BDAERO [NH3+]C[C@@H](Nc1ncnc2nc[nH]c21)C1CCCC1 ZINC000236190897 384227069 /nfs/dbraw/zinc/22/70/69/384227069.db2.gz PBRJYVXJSOHDGF-SECBINFHSA-N 1 0 246.318 1.282 10 0 BDAERO Cc1nc(F)ccc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000278871714 384269213 /nfs/dbraw/zinc/26/92/13/384269213.db2.gz YQZDMTXSJCKEGV-GXSJLCMTSA-N 1 0 224.279 1.796 10 0 BDAERO COc1cc(C)nc(N[C@H](C)CCCC[NH3+])n1 ZINC000310425768 384311134 /nfs/dbraw/zinc/31/11/34/384311134.db2.gz PAPOVMIAOYVIDX-SECBINFHSA-N 1 0 238.335 1.723 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cccnc1 ZINC000282447712 384280395 /nfs/dbraw/zinc/28/03/95/384280395.db2.gz SEYKRRKLOXFHGP-JBLDHEPKSA-N 1 0 233.315 1.399 10 0 BDAERO CCC[C@@H](C(=O)N1CCO[C@@H](CC)C1)[NH+](C)C ZINC000179394232 384285679 /nfs/dbraw/zinc/28/56/79/384285679.db2.gz YFCACFVCUURNMH-RYUDHWBXSA-N 1 0 242.363 1.354 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1nccs1 ZINC000282480206 384291670 /nfs/dbraw/zinc/29/16/70/384291670.db2.gz WUFIELGXASMWDL-VGMNWLOBSA-N 1 0 239.344 1.461 10 0 BDAERO Cc1[nH]ccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000159047489 384298440 /nfs/dbraw/zinc/29/84/40/384298440.db2.gz MLSGYSMQLJFTJD-GWCFXTLKSA-N 1 0 249.358 1.782 10 0 BDAERO CC[C@H](O)C[NH+]1CCN([C@H]2C=CCCC2)CC1 ZINC000174077877 384299705 /nfs/dbraw/zinc/29/97/05/384299705.db2.gz PCZIHUWRLKPJDX-KBPBESRZSA-N 1 0 238.375 1.484 10 0 BDAERO CC[C@H](O)C[NH+]1CCN([C@@H]2C=CCCC2)CC1 ZINC000174077906 384299906 /nfs/dbraw/zinc/29/99/06/384299906.db2.gz PCZIHUWRLKPJDX-KGLIPLIRSA-N 1 0 238.375 1.484 10 0 BDAERO CCC(C)(C)CC[N@@H+]1CCO[C@@H](CO)C1 ZINC000426877594 384301809 /nfs/dbraw/zinc/30/18/09/384301809.db2.gz XYYOSEDHWFIATI-LLVKDONJSA-N 1 0 215.337 1.506 10 0 BDAERO Cc1cc(Cl)nc(N2CC[NH2+]C[C@H]2C)n1 ZINC000095069568 384335668 /nfs/dbraw/zinc/33/56/68/384335668.db2.gz QPASOSZHASWYBJ-MRVPVSSYSA-N 1 0 226.711 1.237 10 0 BDAERO Clc1nccc(SC[C@@H]2CC[NH2+]C2)n1 ZINC000095070185 384337162 /nfs/dbraw/zinc/33/71/62/384337162.db2.gz UCYHCKCBJHXFCU-SSDOTTSWSA-N 1 0 229.736 1.832 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1nc2cccnc2[nH]1 ZINC000095071127 384338324 /nfs/dbraw/zinc/33/83/24/384338324.db2.gz MGFOCFUZPNWVKP-JTQLQIEISA-N 1 0 245.330 1.394 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)C(=O)c1ccsc1 ZINC000095071040 384338652 /nfs/dbraw/zinc/33/86/52/384338652.db2.gz RSOMCKWSRCQMKE-SNVBAGLBSA-N 1 0 238.356 1.820 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095071086 384339364 /nfs/dbraw/zinc/33/93/64/384339364.db2.gz LPTFKVGSRCDFEP-LLVKDONJSA-N 1 0 205.305 1.517 10 0 BDAERO CN(Cc1cnccn1)C[C@H]1CCCC[NH2+]1 ZINC000095070879 384339462 /nfs/dbraw/zinc/33/94/62/384339462.db2.gz DRBDKFFIUJMCQO-LLVKDONJSA-N 1 0 220.320 1.051 10 0 BDAERO [NH3+]C[C@@H]1CCCN1c1cc(Cl)ncn1 ZINC000095072597 384342887 /nfs/dbraw/zinc/34/28/87/384342887.db2.gz JTJCAAJXAHLSKY-ZETCQYMHSA-N 1 0 212.684 1.058 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1CCCCC1 ZINC000335603061 384373615 /nfs/dbraw/zinc/37/36/15/384373615.db2.gz LOZJEUAJCKDLER-CMPLNLGQSA-N 1 0 224.348 1.823 10 0 BDAERO Nc1nc2ccccc2nc1OC1CC[NH2+]CC1 ZINC000095072183 384344011 /nfs/dbraw/zinc/34/40/11/384344011.db2.gz BRCOIHQPBFQIPA-UHFFFAOYSA-N 1 0 244.298 1.343 10 0 BDAERO O=C(COC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000095072896 384345400 /nfs/dbraw/zinc/34/54/00/384345400.db2.gz BLILRZDKGKMEBI-VIFPVBQESA-N 1 0 209.245 1.088 10 0 BDAERO O=C(CNC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000095072769 384345716 /nfs/dbraw/zinc/34/57/16/384345716.db2.gz OEWHIMSGAZGHRJ-JTQLQIEISA-N 1 0 222.288 1.194 10 0 BDAERO O=C(COC[C@H]1CCC[NH2+]1)c1nccs1 ZINC000095072880 384345755 /nfs/dbraw/zinc/34/57/55/384345755.db2.gz BJJHHEVFZPNMHD-MRVPVSSYSA-N 1 0 226.301 1.094 10 0 BDAERO O=C(CN[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000095072748 384346114 /nfs/dbraw/zinc/34/61/14/384346114.db2.gz GTTBXBYZQPCXJH-VIFPVBQESA-N 1 0 224.329 1.272 10 0 BDAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000095073151 384346122 /nfs/dbraw/zinc/34/61/22/384346122.db2.gz QXHIQQXVPOCIBJ-QMMMGPOBSA-N 1 0 246.357 1.059 10 0 BDAERO O=C(COCC[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095072911 384346549 /nfs/dbraw/zinc/34/65/49/384346549.db2.gz IUDQVZPZSNOMER-NSHDSACASA-N 1 0 236.315 1.746 10 0 BDAERO O=[S@@](Cc1cncs1)C1CC[NH2+]CC1 ZINC000095073463 384347134 /nfs/dbraw/zinc/34/71/34/384347134.db2.gz TYOICLDHDVNGQC-CQSZACIVSA-N 1 0 230.358 1.144 10 0 BDAERO O=[S@@](C[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095073474 384347392 /nfs/dbraw/zinc/34/73/92/384347392.db2.gz MQNFEMSMFFVWAJ-MEBBXXQBSA-N 1 0 224.329 1.331 10 0 BDAERO O=[S@](Cc1cncs1)C1CC[NH2+]CC1 ZINC000095073462 384347410 /nfs/dbraw/zinc/34/74/10/384347410.db2.gz TYOICLDHDVNGQC-AWEZNQCLSA-N 1 0 230.358 1.144 10 0 BDAERO O=[S@](Cc1ccncc1)C[C@H]1CCC[NH2+]C1 ZINC000095073638 384348966 /nfs/dbraw/zinc/34/89/66/384348966.db2.gz WSIYGKLMPOWGRV-LRDDRELGSA-N 1 0 238.356 1.330 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1Cc1ccc(F)cc1 ZINC000095075906 384349820 /nfs/dbraw/zinc/34/98/20/384349820.db2.gz FKFNWHIJVXJBTQ-WCQYABFASA-N 1 0 223.291 1.993 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCC2CCOCC2)C1 ZINC000335589162 384354277 /nfs/dbraw/zinc/35/42/77/384354277.db2.gz GMNOFAZBNBIOJO-DGCLKSJQSA-N 1 0 227.348 1.506 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CC2CC(F)(F)C2)C1 ZINC000335592065 384355255 /nfs/dbraw/zinc/35/52/55/384355255.db2.gz ZTUOWMRSDZSDMB-WPRPVWTQSA-N 1 0 219.275 1.734 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccsc1 ZINC000335593589 384358292 /nfs/dbraw/zinc/35/82/92/384358292.db2.gz HFKMQVDMEZYLII-GXSJLCMTSA-N 1 0 238.356 1.752 10 0 BDAERO c1ccc2c(c1)CN([C@H]1CC[NH2+]C1)N=N2 ZINC000095081314 384359174 /nfs/dbraw/zinc/35/91/74/384359174.db2.gz PYQCYSQKRIMNIU-JTQLQIEISA-N 1 0 202.261 1.863 10 0 BDAERO CCC1(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000335594247 384359923 /nfs/dbraw/zinc/35/99/23/384359923.db2.gz WYZAYOWHCUCZRU-QWRGUYRKSA-N 1 0 224.348 1.823 10 0 BDAERO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000335604080 384374589 /nfs/dbraw/zinc/37/45/89/384374589.db2.gz KXLDGUFUCDDPAN-SNVBAGLBSA-N 1 0 221.304 1.162 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1ccccn1 ZINC000335596285 384363844 /nfs/dbraw/zinc/36/38/44/384363844.db2.gz IKHKAGDQGNATBL-AAEUAGOBSA-N 1 0 247.342 1.428 10 0 BDAERO CN1C(=O)C[C@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000095347713 384368198 /nfs/dbraw/zinc/36/81/98/384368198.db2.gz VPJNCUJVFAIGTH-PWSUYJOCSA-N 1 0 204.273 1.165 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)cn1 ZINC000335598885 384369953 /nfs/dbraw/zinc/36/99/53/384369953.db2.gz ZCOIDBGJBRFHRV-YPMHNXCESA-N 1 0 247.342 1.394 10 0 BDAERO C[C@@H](N[C@H]1CCCC[C@@H]1[NH3+])c1ccc[nH]1 ZINC000095068307 384329275 /nfs/dbraw/zinc/32/92/75/384329275.db2.gz BNGCEMOQZAFMLM-SCVCMEIPSA-N 1 0 207.321 1.935 10 0 BDAERO C[C@H](N[C@H]1CCCC[C@@H]1[NH3+])c1ccc[nH]1 ZINC000095068306 384330886 /nfs/dbraw/zinc/33/08/86/384330886.db2.gz BNGCEMOQZAFMLM-NHCYSSNCSA-N 1 0 207.321 1.935 10 0 BDAERO Cc1ccc([S@@](=O)C[C@@H]2CCCC[NH2+]2)nc1 ZINC000095069052 384332013 /nfs/dbraw/zinc/33/20/13/384332013.db2.gz UMXJLJUHCXULJD-MEDUHNTESA-N 1 0 238.356 1.640 10 0 BDAERO Clc1cnc(OC[C@H]2CCC[NH2+]C2)nc1 ZINC000095070052 384334129 /nfs/dbraw/zinc/33/41/29/384334129.db2.gz UZYCOXHYEZENMR-QMMMGPOBSA-N 1 0 227.695 1.508 10 0 BDAERO C[C@H]([NH2+]CC(=O)NC1CC1)c1cccs1 ZINC000035133057 384399307 /nfs/dbraw/zinc/39/93/07/384399307.db2.gz XCYXVGMTOLUVLH-QMMMGPOBSA-N 1 0 224.329 1.677 10 0 BDAERO Fc1cc2cccnc2c(N2CC[NH2+]CC2)c1 ZINC000095830109 384400696 /nfs/dbraw/zinc/40/06/96/384400696.db2.gz LGDIXRNRHUSUCV-UHFFFAOYSA-N 1 0 231.274 1.784 10 0 BDAERO C[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000095883670 384404596 /nfs/dbraw/zinc/40/45/96/384404596.db2.gz KUQTVSBIBUEQNN-SECBINFHSA-N 1 0 214.309 1.509 10 0 BDAERO CC(C)(C)OC(=O)NC1[C@@H]2C[C@H]1C[NH2+]C2 ZINC000095627683 384382633 /nfs/dbraw/zinc/38/26/33/384382633.db2.gz WULUIRLXYWAJQJ-JVHMLUBASA-N 1 0 212.293 1.119 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(C(N)=O)c1 ZINC000334314242 384436508 /nfs/dbraw/zinc/43/65/08/384436508.db2.gz OXIHHVGHTCPOMB-GZMMTYOYSA-N 1 0 247.298 1.132 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cnn1C ZINC000229812960 384441346 /nfs/dbraw/zinc/44/13/46/384441346.db2.gz VNIWBBKQZFACBT-DGCLKSJQSA-N 1 0 237.347 1.369 10 0 BDAERO COC(=O)c1cccnc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000305996110 384463283 /nfs/dbraw/zinc/46/32/83/384463283.db2.gz UINZEEGVTCZJIJ-PHIMTYICSA-N 1 0 248.326 1.956 10 0 BDAERO COC(C)(C)CN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000404241896 384475133 /nfs/dbraw/zinc/47/51/33/384475133.db2.gz PZWXEPZDABOGGZ-CYBMUJFWSA-N 1 0 242.363 1.402 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000282520974 384516101 /nfs/dbraw/zinc/51/61/01/384516101.db2.gz YEOBVRCFZGWWBE-DCAQKATOSA-N 1 0 208.305 1.352 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC000170856419 384524398 /nfs/dbraw/zinc/52/43/98/384524398.db2.gz ZZPMIUSQECEDKQ-QMMMGPOBSA-N 1 0 242.706 1.709 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@H](CCO)COC ZINC000309702538 384547522 /nfs/dbraw/zinc/54/75/22/384547522.db2.gz NFEKQWPQKMMECI-JHJVBQTASA-N 1 0 229.364 1.942 10 0 BDAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccco1 ZINC000123485799 384560868 /nfs/dbraw/zinc/56/08/68/384560868.db2.gz FNPVWWLCLKCKNG-NWDGAFQWSA-N 1 0 238.331 1.651 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403207805 384604042 /nfs/dbraw/zinc/60/40/42/384604042.db2.gz PBVINNOMPNIMER-NAWOPXAZSA-N 1 0 236.359 1.666 10 0 BDAERO CSCCC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000300854198 384609173 /nfs/dbraw/zinc/60/91/73/384609173.db2.gz OEULYBGFEPBYFH-VHSXEESVSA-N 1 0 203.351 1.585 10 0 BDAERO Cc1nn(C)cc1[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000084446119 384618806 /nfs/dbraw/zinc/61/88/06/384618806.db2.gz MUVDYAGVEGKXSO-MFAVDMRSSA-N 1 0 223.320 1.150 10 0 BDAERO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cnccn1 ZINC000100248199 384628144 /nfs/dbraw/zinc/62/81/44/384628144.db2.gz VDKVFLSJYXMYQE-GARJFASQSA-N 1 0 221.304 1.431 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000141485302 384674452 /nfs/dbraw/zinc/67/44/52/384674452.db2.gz XMYGQAXKEOMNDO-AXFHLTTASA-N 1 0 240.347 1.899 10 0 BDAERO FC(F)(F)c1ccn(C[C@@H]2CCC[NH2+]2)n1 ZINC000043496201 384646213 /nfs/dbraw/zinc/64/62/13/384646213.db2.gz IGUSDCIAPWQZQX-ZETCQYMHSA-N 1 0 219.210 1.654 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H](c2ccc(C)cc2)C1 ZINC000082163228 384647658 /nfs/dbraw/zinc/64/76/58/384647658.db2.gz BQJVGLDXABJDHR-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO Cc1ccc([C@@H]2C[NH2+]C[C@@H](C(N)=O)C2)cc1 ZINC000082163221 384648476 /nfs/dbraw/zinc/64/84/76/384648476.db2.gz AUOMSSOSEDEQLU-RYUDHWBXSA-N 1 0 218.300 1.173 10 0 BDAERO Cc1ccc(S(=O)(=O)CC[NH3+])c(C)c1 ZINC000011896400 384682911 /nfs/dbraw/zinc/68/29/11/384682911.db2.gz GKTBDPFZZHOBIS-UHFFFAOYSA-N 1 0 213.302 1.036 10 0 BDAERO C[C@H](C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1)C(C)(C)C ZINC000647541215 384684294 /nfs/dbraw/zinc/68/42/94/384684294.db2.gz MIWRWKCTBJJIMR-UPJWGTAASA-N 1 0 240.391 1.731 10 0 BDAERO [NH3+]Cc1nccc(-c2ccc(F)cc2)n1 ZINC000082531845 384690236 /nfs/dbraw/zinc/69/02/36/384690236.db2.gz ULAQDBIPMPRYHX-UHFFFAOYSA-N 1 0 203.220 1.741 10 0 BDAERO Cc1scc(CN[C@H]2CC[NH2+]C2)c1C ZINC000306889144 384692344 /nfs/dbraw/zinc/69/23/44/384692344.db2.gz SUJPTHCFWVTLKY-NSHDSACASA-N 1 0 210.346 1.816 10 0 BDAERO C[C@H](N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C ZINC000082559480 384692715 /nfs/dbraw/zinc/69/27/15/384692715.db2.gz UYWGJPPDPGVDNB-OUAUKWLOSA-N 1 0 226.364 1.735 10 0 BDAERO c1cnc(OCC[C@@H]2CCC[NH2+]C2)cn1 ZINC000051918661 384701677 /nfs/dbraw/zinc/70/16/77/384701677.db2.gz AJVULHBKBKWZEW-JTQLQIEISA-N 1 0 207.277 1.245 10 0 BDAERO c1cncc(-c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000077296809 384705002 /nfs/dbraw/zinc/70/50/02/384705002.db2.gz GTMSWTPNKCBVFZ-UHFFFAOYSA-N 1 0 200.245 1.117 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)o1 ZINC000051990980 384706395 /nfs/dbraw/zinc/70/63/95/384706395.db2.gz LCUCATGPUIVCRG-NWDGAFQWSA-N 1 0 209.289 1.981 10 0 BDAERO CC(=O)CC[N@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000086930474 384721520 /nfs/dbraw/zinc/72/15/20/384721520.db2.gz WFONAZISYBWJAG-WCQYABFASA-N 1 0 224.348 1.524 10 0 BDAERO CSC1(C[NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000308517319 384777601 /nfs/dbraw/zinc/77/76/01/384777601.db2.gz FUTFYVXRKIVAEE-UWVGGRQHSA-N 1 0 215.362 1.633 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncccc1Cl ZINC000307023085 384729222 /nfs/dbraw/zinc/72/92/22/384729222.db2.gz FNVPFBVLGYMRRW-HTQZYQBOSA-N 1 0 211.696 1.661 10 0 BDAERO C[C@@H]([NH3+])Cc1c(Br)cnn1C ZINC000044461003 384729279 /nfs/dbraw/zinc/72/92/79/384729279.db2.gz USDPFVWOGKEERE-RXMQYKEDSA-N 1 0 218.098 1.072 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCc2sccc2[C@H]1C ZINC000054075707 384730770 /nfs/dbraw/zinc/73/07/70/384730770.db2.gz YLAHLEDPUDYKFI-RKDXNWHRSA-N 1 0 238.356 1.802 10 0 BDAERO CC[C@H](C)CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290752 384733472 /nfs/dbraw/zinc/73/34/72/384733472.db2.gz DDAVPGWTDBVLHH-RYUDHWBXSA-N 1 0 226.364 1.881 10 0 BDAERO [NH3+][C@H](CO)Cc1ccc(Br)s1 ZINC000044463759 384733949 /nfs/dbraw/zinc/73/39/49/384733949.db2.gz QGJZINFJKJGNKD-YFKPBYRVSA-N 1 0 236.134 1.373 10 0 BDAERO C[C@H]([NH3+])Cc1occc1Br ZINC000044463339 384734859 /nfs/dbraw/zinc/73/48/59/384734859.db2.gz GSTAASZQUFZKBZ-YFKPBYRVSA-N 1 0 204.067 1.932 10 0 BDAERO CC(C)n1ccn(C2CC[NH2+]CC2)c1=O ZINC000082375889 384738716 /nfs/dbraw/zinc/73/87/16/384738716.db2.gz OEJAWMDWAOCHEV-UHFFFAOYSA-N 1 0 209.293 1.155 10 0 BDAERO c1nc2cccnc2n1C[C@@H]1CCC[NH2+]C1 ZINC000082656192 384743501 /nfs/dbraw/zinc/74/35/01/384743501.db2.gz FUPOFXRNSSJMQH-SNVBAGLBSA-N 1 0 216.288 1.431 10 0 BDAERO Cn1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)c1 ZINC000125763398 384748988 /nfs/dbraw/zinc/74/89/88/384748988.db2.gz DHBVUFFIFOWLDD-STQMWFEESA-N 1 0 222.332 1.666 10 0 BDAERO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2O)ccn1 ZINC000062070139 384759532 /nfs/dbraw/zinc/75/95/32/384759532.db2.gz AWJGLNYCHWCQAL-VXGBXAGGSA-N 1 0 236.315 1.483 10 0 BDAERO C[C@@H](CC[NH3+])Nc1cncc(Br)c1 ZINC000306192676 384772212 /nfs/dbraw/zinc/77/22/12/384772212.db2.gz CAQKRNBRMAWBRV-ZETCQYMHSA-N 1 0 244.136 1.993 10 0 BDAERO Cc1ccc(F)c([C@@H](N)C[NH3+])c1Cl ZINC000072200606 384816780 /nfs/dbraw/zinc/81/67/80/384816780.db2.gz XPEDMZYDBARQAO-ZETCQYMHSA-N 1 0 202.660 1.746 10 0 BDAERO CCCCC[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000308596870 384833940 /nfs/dbraw/zinc/83/39/40/384833940.db2.gz ZFWSFQRWXBMJLZ-GHMZBOCLSA-N 1 0 201.310 1.258 10 0 BDAERO Cc1c(F)cccc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000335146001 384835070 /nfs/dbraw/zinc/83/50/70/384835070.db2.gz OCMNBWNHEQEZFK-JTQLQIEISA-N 1 0 236.290 1.697 10 0 BDAERO c1cnn(CCN(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000310047527 384787069 /nfs/dbraw/zinc/78/70/69/384787069.db2.gz VSBONKBOKCEBHP-LBPRGKRZSA-N 1 0 234.347 1.100 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CCSCC1 ZINC000335604354 384796198 /nfs/dbraw/zinc/79/61/98/384796198.db2.gz YJBWGEIIHJMUPP-WCBMZHEXSA-N 1 0 228.361 1.139 10 0 BDAERO CCC[C@H]1C[C@@H]1[NH2+]CC1(OC)CCOCC1 ZINC000310035866 384802607 /nfs/dbraw/zinc/80/26/07/384802607.db2.gz UEHSATARJZKRHK-RYUDHWBXSA-N 1 0 227.348 1.960 10 0 BDAERO C[C@@H](CNC(=O)C1CCC([NH3+])CC1)CC(F)F ZINC000648193766 384807865 /nfs/dbraw/zinc/80/78/65/384807865.db2.gz KMMNMSDHIJIINC-XNWIYYODSA-N 1 0 248.317 1.911 10 0 BDAERO [NH3+][C@@H](CO)c1cc(Cl)ccc1Cl ZINC000072198013 384811900 /nfs/dbraw/zinc/81/19/00/384811900.db2.gz GTRJRSYOEJFYII-QMMMGPOBSA-N 1 0 206.072 1.986 10 0 BDAERO Cc1ccc(F)c([C@H]([NH3+])CO)c1Cl ZINC000072197957 384812415 /nfs/dbraw/zinc/81/24/15/384812415.db2.gz PNCABPHYNMVBMW-SSDOTTSWSA-N 1 0 203.644 1.780 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)CC(F)F ZINC000648194310 384812968 /nfs/dbraw/zinc/81/29/68/384812968.db2.gz YOLBCDHQLWNZGT-RKDXNWHRSA-N 1 0 236.306 1.767 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)CC(F)F ZINC000648194342 384813122 /nfs/dbraw/zinc/81/31/22/384813122.db2.gz ZNGTXDZLMIPJRZ-IUCAKERBSA-N 1 0 234.290 1.394 10 0 BDAERO Cc1cnc(-c2cccc(NC(=O)[C@@H](C)[NH3+])c2)o1 ZINC000083908417 384814764 /nfs/dbraw/zinc/81/47/64/384814764.db2.gz VHDLCUZUGGHPEA-SECBINFHSA-N 1 0 245.282 1.936 10 0 BDAERO [NH3+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000026476824 384877531 /nfs/dbraw/zinc/87/75/31/384877531.db2.gz BWXWCNDLDYSPDC-SECBINFHSA-N 1 0 244.132 1.559 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)COC ZINC000026513586 384878067 /nfs/dbraw/zinc/87/80/67/384878067.db2.gz PPMLWBXRWMMXBC-VHSXEESVSA-N 1 0 230.352 1.304 10 0 BDAERO CC(C)n1cc(C[NH2+][C@H]2CCO[C@H]2C)cn1 ZINC000127314134 384882462 /nfs/dbraw/zinc/88/24/62/384882462.db2.gz YJZQCRFDRRXRMI-JQWIXIFHSA-N 1 0 223.320 1.731 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1nc(C)ns1 ZINC000087780075 384845190 /nfs/dbraw/zinc/84/51/90/384845190.db2.gz MEDSIJRQBOCCBH-QMMMGPOBSA-N 1 0 214.338 1.776 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000084223374 384848619 /nfs/dbraw/zinc/84/86/19/384848619.db2.gz OZEXNOUZXKMNCK-OPRDCNLKSA-N 1 0 201.335 1.243 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccnc(C)n1 ZINC000174924288 384849866 /nfs/dbraw/zinc/84/98/66/384849866.db2.gz RRBQDKASORYAHX-CHWSQXEVSA-N 1 0 246.358 1.848 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)OC(C)(C)C ZINC000084237391 384853132 /nfs/dbraw/zinc/85/31/32/384853132.db2.gz FIZGQOZZMQMOQI-YUMQZZPRSA-N 1 0 200.282 1.262 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000127256788 384853556 /nfs/dbraw/zinc/85/35/56/384853556.db2.gz KCDIMNTVZMPCJQ-WDEREUQCSA-N 1 0 211.309 1.205 10 0 BDAERO Cc1nc(SC[C@@H]2CCCC[NH2+]2)n[nH]1 ZINC000043495581 384855692 /nfs/dbraw/zinc/85/56/92/384855692.db2.gz APTMGCUYKYUIHG-QMMMGPOBSA-N 1 0 212.322 1.347 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc[nH]1 ZINC000174992448 384857515 /nfs/dbraw/zinc/85/75/15/384857515.db2.gz RXOWFBSSNZHHFL-NWDGAFQWSA-N 1 0 247.342 1.714 10 0 BDAERO CC/C=C\CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309836274 384862071 /nfs/dbraw/zinc/86/20/71/384862071.db2.gz BGOHNBWBGDIHEF-ISALQUGTSA-N 1 0 224.348 1.990 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643729316 384865734 /nfs/dbraw/zinc/86/57/34/384865734.db2.gz WNRYJGXIZXKUPF-WZRBSPASSA-N 1 0 240.347 1.060 10 0 BDAERO c1cc2c(cc1C[NH2+]C[C@@H]1CC[NH2+]C1)OCCO2 ZINC000258932472 384951408 /nfs/dbraw/zinc/95/14/08/384951408.db2.gz PMZOBQGWICGOSO-GFCCVEGCSA-N 1 0 248.326 1.157 10 0 BDAERO COC[C@H](C)[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000368438278 384952001 /nfs/dbraw/zinc/95/20/01/384952001.db2.gz KJGDQWBJNPARKD-QWRGUYRKSA-N 1 0 223.320 1.070 10 0 BDAERO O=C1Nc2c(cccc2F)[C@]12CC[NH2+]C2 ZINC000107147269 384952978 /nfs/dbraw/zinc/95/29/78/384952978.db2.gz HYLHXNHERFZTOG-LLVKDONJSA-N 1 0 206.220 1.009 10 0 BDAERO C[C@@H]([NH3+])Cc1noc(C(F)(F)Cl)n1 ZINC000156789205 384890884 /nfs/dbraw/zinc/89/08/84/384890884.db2.gz MDUDTWPIPXURLY-GSVOUGTGSA-N 1 0 211.599 1.247 10 0 BDAERO c1ncn(CC[NH2+]C(C2CCC2)C2CCC2)n1 ZINC000338675774 384938897 /nfs/dbraw/zinc/93/88/97/384938897.db2.gz ZNCJHEUGCJRXAB-UHFFFAOYSA-N 1 0 234.347 1.837 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1cn(C)nc1C(C)C ZINC000306050749 384940443 /nfs/dbraw/zinc/94/04/43/384940443.db2.gz SIBJKNJDAXRGCJ-SECBINFHSA-N 1 0 238.335 1.609 10 0 BDAERO CC(C)n1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)nn1 ZINC000310293607 384944423 /nfs/dbraw/zinc/94/44/23/384944423.db2.gz LDXMRCVJAIGVTD-CMPLNLGQSA-N 1 0 238.335 1.516 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC(C)(C)OC ZINC000404362087 384972863 /nfs/dbraw/zinc/97/28/63/384972863.db2.gz KHJLNGSDNPULCB-NXEZZACHSA-N 1 0 230.352 1.243 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC2(OC)CCC2)C1 ZINC000339179955 384973733 /nfs/dbraw/zinc/97/37/33/384973733.db2.gz CJYBVKGKHMMJIJ-RYUDHWBXSA-N 1 0 243.347 1.027 10 0 BDAERO CC[N@H+](CCO)CCNc1ccnc(Cl)c1 ZINC000302222713 384974173 /nfs/dbraw/zinc/97/41/73/384974173.db2.gz OTAXUOWJCOQULM-UHFFFAOYSA-N 1 0 243.738 1.461 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000062706022 384993775 /nfs/dbraw/zinc/99/37/75/384993775.db2.gz JUKDSNHCIWAONY-PSASIEDQSA-N 1 0 219.206 1.875 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccns1 ZINC000404428005 384996441 /nfs/dbraw/zinc/99/64/41/384996441.db2.gz FMTZEGXCUQTMDP-MWLCHTKSSA-N 1 0 226.345 1.784 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000404450856 384999053 /nfs/dbraw/zinc/99/90/53/384999053.db2.gz MMKGFVZPPIIQNT-SNVBAGLBSA-N 1 0 225.361 1.717 10 0 BDAERO Cc1nnc(N[C@@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000307392216 385010003 /nfs/dbraw/zinc/01/00/03/385010003.db2.gz YDAYKETWKKZPGI-POYBYMJQSA-N 1 0 212.322 1.256 10 0 BDAERO CC(C)C[C@H]([NH3+])c1noc(-c2cn(C)cn2)n1 ZINC000647133396 385054145 /nfs/dbraw/zinc/05/41/45/385054145.db2.gz GFYKGQUELUBWRS-QMMMGPOBSA-N 1 0 235.291 1.516 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]CC[C@H](C)F ZINC000644654552 385061394 /nfs/dbraw/zinc/06/13/94/385061394.db2.gz YIAOOOCSQOWAFL-WDEREUQCSA-N 1 0 221.316 1.502 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]CC[C@@H](C)F ZINC000644654549 385062382 /nfs/dbraw/zinc/06/23/82/385062382.db2.gz YIAOOOCSQOWAFL-GHMZBOCLSA-N 1 0 221.316 1.502 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)OC ZINC000152297911 385064011 /nfs/dbraw/zinc/06/40/11/385064011.db2.gz ZVJPFGJDFONLNZ-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000087044426 385071416 /nfs/dbraw/zinc/07/14/16/385071416.db2.gz HTUNYZPQHUVNFC-SFYZADRCSA-N 1 0 209.249 1.126 10 0 BDAERO [NH3+]CCc1nc2cc(F)c(Cl)cc2[nH]1 ZINC000062152821 385076461 /nfs/dbraw/zinc/07/64/61/385076461.db2.gz YQYUPRRYLQJEGH-UHFFFAOYSA-N 1 0 213.643 1.857 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccns3)C[C@H]12 ZINC000404506807 385023603 /nfs/dbraw/zinc/02/36/03/385023603.db2.gz MUHKJPXLTMLZNC-INTQDDNPSA-N 1 0 223.345 1.312 10 0 BDAERO CN1C(=S)N=NC1c1ccc(C[NH3+])cc1 ZINC000058824321 385023921 /nfs/dbraw/zinc/02/39/21/385023921.db2.gz SLIVOICJVPBRKD-UHFFFAOYSA-N 1 0 220.301 1.230 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@]1(C)CCCO1 ZINC000340237316 385041733 /nfs/dbraw/zinc/04/17/33/385041733.db2.gz SJGWLKMKDUTMSR-LOWVWBTDSA-N 1 0 229.364 1.941 10 0 BDAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ncn(C)n1 ZINC000310021084 385046542 /nfs/dbraw/zinc/04/65/42/385046542.db2.gz NJXTUDRNAPNXDV-QWRGUYRKSA-N 1 0 222.336 1.874 10 0 BDAERO Cc1ccnc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000061859918 385142036 /nfs/dbraw/zinc/14/20/36/385142036.db2.gz JDRDLHZEHBAEAO-SNVBAGLBSA-N 1 0 207.277 1.163 10 0 BDAERO C[C@H]([NH3+])Cc1noc(-c2cscn2)n1 ZINC000062362004 385136934 /nfs/dbraw/zinc/13/69/34/385136934.db2.gz UQUWTDSAZJVLEM-YFKPBYRVSA-N 1 0 210.262 1.083 10 0 BDAERO CCc1cc(CC)nc(NC[C@H](C)[NH3+])n1 ZINC000308824269 385187394 /nfs/dbraw/zinc/18/73/94/385187394.db2.gz RONWPBFAVWAJHD-QMMMGPOBSA-N 1 0 208.309 1.361 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC000062969372 385199587 /nfs/dbraw/zinc/19/95/87/385199587.db2.gz PGZRSXDVSKZXOG-LBPRGKRZSA-N 1 0 236.290 1.602 10 0 BDAERO COCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000177951837 385142913 /nfs/dbraw/zinc/14/29/13/385142913.db2.gz CWPOEXDYDTXFAT-TUAOUCFPSA-N 1 0 215.337 1.959 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000408048172 385171306 /nfs/dbraw/zinc/17/13/06/385171306.db2.gz VUPPTFOFIIZCNH-JQWIXIFHSA-N 1 0 239.319 1.328 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCC3(CCCC3)C2)C1 ZINC000157430529 385176757 /nfs/dbraw/zinc/17/67/57/385176757.db2.gz XWLICAJVSMVVLP-RYUDHWBXSA-N 1 0 236.359 1.907 10 0 BDAERO C#CC[NH2+][C@H]1CCc2cccc(OC)c2C1 ZINC000148123392 385180786 /nfs/dbraw/zinc/18/07/86/385180786.db2.gz DQDYPMRJCJXOMF-LBPRGKRZSA-N 1 0 215.296 1.775 10 0 BDAERO COC(=O)CN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107797195 385213377 /nfs/dbraw/zinc/21/33/77/385213377.db2.gz MFXDQJBMIDLBAN-LBPRGKRZSA-N 1 0 240.347 1.110 10 0 BDAERO CC[C@H](O)CN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107797452 385213790 /nfs/dbraw/zinc/21/37/90/385213790.db2.gz FFPWWHCXYFFSHJ-KBPBESRZSA-N 1 0 240.391 1.708 10 0 BDAERO CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cocn2)C1 ZINC000643772668 385234590 /nfs/dbraw/zinc/23/45/90/385234590.db2.gz NMHPQOGITVUXBH-MNOVXSKESA-N 1 0 248.286 1.360 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccc(C)o2)C1 ZINC000343978773 385243874 /nfs/dbraw/zinc/24/38/74/385243874.db2.gz LEHNNGXIHCCEJS-PWSUYJOCSA-N 1 0 225.288 1.170 10 0 BDAERO CN(C[C@H]1C[C@H](F)C[NH2+]1)C(=O)OC(C)(C)C ZINC000307706250 385252874 /nfs/dbraw/zinc/25/28/74/385252874.db2.gz ZOZVFOIWQOWAES-DTWKUNHWSA-N 1 0 232.299 1.553 10 0 BDAERO [NH3+]C1CN(c2ccc(C(F)(F)F)cn2)C1 ZINC000034181405 385306350 /nfs/dbraw/zinc/30/63/50/385306350.db2.gz PZPGCLOMWPZBKK-UHFFFAOYSA-N 1 0 217.194 1.248 10 0 BDAERO [NH3+]Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000050224487 385312598 /nfs/dbraw/zinc/31/25/98/385312598.db2.gz YWKLFZWJEQXCSG-UHFFFAOYSA-N 1 0 222.679 1.439 10 0 BDAERO [NH3+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000050224118 385312811 /nfs/dbraw/zinc/31/28/11/385312811.db2.gz GNTBLXHVNARVSO-UHFFFAOYSA-N 1 0 226.642 1.519 10 0 BDAERO c1cnc2c(c1)ccc1c2OCC[NH2+]C1 ZINC000096034724 385314646 /nfs/dbraw/zinc/31/46/46/385314646.db2.gz WRGLLMMCBCPMRJ-UHFFFAOYSA-N 1 0 200.241 1.717 10 0 BDAERO [NH3+]Cc1ccc(O)c(OCC(F)(F)F)c1 ZINC000096034726 385315472 /nfs/dbraw/zinc/31/54/72/385315472.db2.gz UQCYWWWFWOFYFW-UHFFFAOYSA-N 1 0 221.178 1.792 10 0 BDAERO CC(C)n1nccc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000280172493 385274328 /nfs/dbraw/zinc/27/43/28/385274328.db2.gz GETVPDSRXYCKLA-CMPLNLGQSA-N 1 0 223.320 1.731 10 0 BDAERO [NH3+][C@H](CO)c1cc2c(cc1Cl)OCO2 ZINC000072198264 385296325 /nfs/dbraw/zinc/29/63/25/385296325.db2.gz XICBXGWWAUBGAC-SSDOTTSWSA-N 1 0 215.636 1.061 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cncc(F)c1 ZINC000294956484 385335228 /nfs/dbraw/zinc/33/52/28/385335228.db2.gz HYYCFXWJHXDPEK-SKDRFNHKSA-N 1 0 224.279 1.566 10 0 BDAERO CC[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000643982527 385348425 /nfs/dbraw/zinc/34/84/25/385348425.db2.gz SUDRXTKEKMCTGW-NXEZZACHSA-N 1 0 248.317 1.782 10 0 BDAERO CC[C@@H](C)C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000120538930 385362189 /nfs/dbraw/zinc/36/21/89/385362189.db2.gz SPXRCEVZICMVNL-NXEZZACHSA-N 1 0 208.309 1.229 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1cccc(Cl)c1 ZINC000179060247 385364450 /nfs/dbraw/zinc/36/44/50/385364450.db2.gz AAYKVSSSVFUQMF-GZMMTYOYSA-N 1 0 238.718 1.879 10 0 BDAERO C[C@@H](CO)C[NH2+][C@H]1CCC12CCOCC2 ZINC000309004386 385365720 /nfs/dbraw/zinc/36/57/20/385365720.db2.gz PDSFNUIDAHNHMJ-MNOVXSKESA-N 1 0 213.321 1.164 10 0 BDAERO COC(=O)[C@@]1(c2ccccc2F)CC[NH2+]C1 ZINC000260651756 385366999 /nfs/dbraw/zinc/36/69/99/385366999.db2.gz GOSLVOCSNYYSLX-LBPRGKRZSA-N 1 0 223.247 1.230 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644017491 385382192 /nfs/dbraw/zinc/38/21/92/385382192.db2.gz UKUUQBAPIORICC-BDAKNGLRSA-N 1 0 234.290 1.392 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(C)(C)C ZINC000114474924 385415891 /nfs/dbraw/zinc/41/58/91/385415891.db2.gz ATKVGAFFPCCHNV-MNOVXSKESA-N 1 0 214.353 1.341 10 0 BDAERO COC(=O)[C@H](N)[C@H](C)Oc1cccc(Cl)c1 ZINC000169726781 385418761 /nfs/dbraw/zinc/41/87/61/385418761.db2.gz GOSFVTKSSLGKOA-OIBJUYFYSA-N 1 0 243.690 1.608 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1nccc2ccccc21 ZINC000259433575 385439616 /nfs/dbraw/zinc/43/96/16/385439616.db2.gz JLULAPCZJZYZAV-ZDUSSCGKSA-N 1 0 227.311 1.811 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC000170857577 385451544 /nfs/dbraw/zinc/45/15/44/385451544.db2.gz XANKLYCFLKRWHI-SNVBAGLBSA-N 1 0 208.261 1.056 10 0 BDAERO CC[C@H]([NH2+]Cc1ncn(C)n1)C(C)(C)C ZINC000309187821 385455851 /nfs/dbraw/zinc/45/58/51/385455851.db2.gz PBOGNPQPPAPEND-VIFPVBQESA-N 1 0 210.325 1.729 10 0 BDAERO CCC[C@H](C(=O)NC1CCOCC1)[NH+](C)C ZINC000179558611 385473924 /nfs/dbraw/zinc/47/39/24/385473924.db2.gz BJLOWJRNRZTHGV-LLVKDONJSA-N 1 0 228.336 1.012 10 0 BDAERO C[NH+](C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000171250538 385475761 /nfs/dbraw/zinc/47/57/61/385475761.db2.gz ARYXSTYFDYIUHC-NSHDSACASA-N 1 0 234.299 1.188 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCCCc1ccccc1 ZINC000111267284 385498560 /nfs/dbraw/zinc/49/85/60/385498560.db2.gz HXYGKMLIVYKMHL-GXTWGEPZSA-N 1 0 246.354 1.591 10 0 BDAERO CCc1nnc(C[NH2+][C@@H](C)[C@H](C)CC)n1C ZINC000183047864 385503628 /nfs/dbraw/zinc/50/36/28/385503628.db2.gz KXYVZRJWYOBBFS-ZJUUUORDSA-N 1 0 224.352 1.902 10 0 BDAERO Cl/C=C/C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171635540 385503926 /nfs/dbraw/zinc/50/39/26/385503926.db2.gz FREMQFNVLQLXIV-YWNRKNDBSA-N 1 0 226.711 1.668 10 0 BDAERO CCOC(=O)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183108385 385508192 /nfs/dbraw/zinc/50/81/92/385508192.db2.gz LJIYQLAWHJTGSK-MNOVXSKESA-N 1 0 229.320 1.487 10 0 BDAERO CC(C)OC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183124898 385510630 /nfs/dbraw/zinc/51/06/30/385510630.db2.gz SDUXXKWWFZCHAG-MNOVXSKESA-N 1 0 229.320 1.485 10 0 BDAERO CC(C)(CCC[NH3+])NC(=O)NC1CCCC1 ZINC000309330829 385534351 /nfs/dbraw/zinc/53/43/51/385534351.db2.gz JAHXSTAOSWBUEN-UHFFFAOYSA-N 1 0 227.352 1.746 10 0 BDAERO CC[C@H]1CN(c2ncnc3[nH]ccc32)CC[C@@H]1[NH3+] ZINC000643033511 385535651 /nfs/dbraw/zinc/53/56/51/385535651.db2.gz ODFACMCWKKFNKL-ONGXEEELSA-N 1 0 245.330 1.522 10 0 BDAERO C[C@@]1(O)CC[N@H+](C[C@H]2Cc3ccccc3O2)C1 ZINC000300011048 385521928 /nfs/dbraw/zinc/52/19/28/385521928.db2.gz AKZOADIKCSHSAE-TZMCWYRMSA-N 1 0 233.311 1.447 10 0 BDAERO CC1([NH3+])CCN(c2cnc3ccccc3n2)CC1 ZINC000643028926 385524031 /nfs/dbraw/zinc/52/40/31/385524031.db2.gz BWAYRJDWORHNGI-UHFFFAOYSA-N 1 0 242.326 1.947 10 0 BDAERO CC1([NH3+])CCN(c2nc3ccccc3[nH]2)CC1 ZINC000643029410 385524695 /nfs/dbraw/zinc/52/46/95/385524695.db2.gz ULNBZYQPQQEOEV-UHFFFAOYSA-N 1 0 230.315 1.881 10 0 BDAERO CCN(C(=O)[C@@H](C)[NH2+]C)c1cccc(C)c1 ZINC000054075739 385595296 /nfs/dbraw/zinc/59/52/96/385595296.db2.gz FVNVVQHJNLFOJR-LLVKDONJSA-N 1 0 220.316 1.956 10 0 BDAERO COc1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000107933687 385588679 /nfs/dbraw/zinc/58/86/79/385588679.db2.gz LDWKWIWINRMZLC-CYBMUJFWSA-N 1 0 235.327 1.900 10 0 BDAERO COC[C@H](C)[NH2+][C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000309489156 385619090 /nfs/dbraw/zinc/61/90/90/385619090.db2.gz WMSRRNGDPZRONN-QCNOEVLYSA-N 1 0 227.348 1.815 10 0 BDAERO [NH3+]Cc1cnn(-c2ccccc2Cl)c1 ZINC000037295178 385638174 /nfs/dbraw/zinc/63/81/74/385638174.db2.gz CIQKNQJFUKLJMR-UHFFFAOYSA-N 1 0 207.664 1.984 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccncc1 ZINC000309503234 385640247 /nfs/dbraw/zinc/64/02/47/385640247.db2.gz BKSCIZIDNIICTA-XYJRDEOASA-N 1 0 218.300 1.625 10 0 BDAERO CN(Cc1ccsc1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000645218561 385675549 /nfs/dbraw/zinc/67/55/49/385675549.db2.gz YUXFTTWJGYVRFN-VHSXEESVSA-N 1 0 242.319 1.407 10 0 BDAERO Nc1cc(-c2cc[nH]n2)ccc1N1CC[NH2+]CC1 ZINC000253576942 385684884 /nfs/dbraw/zinc/68/48/84/385684884.db2.gz WLRMYDQAIZRTJU-UHFFFAOYSA-N 1 0 243.314 1.069 10 0 BDAERO c1nc(C[NH2+]C[C@H]2CC23CCOCC3)co1 ZINC000336690097 385717625 /nfs/dbraw/zinc/71/76/25/385717625.db2.gz WGOUAKNPRHEZSX-SNVBAGLBSA-N 1 0 222.288 1.581 10 0 BDAERO C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000228362842 385694688 /nfs/dbraw/zinc/69/46/88/385694688.db2.gz QYGDYEHOBOONSI-QJPTWQEYSA-N 1 0 215.337 1.288 10 0 BDAERO c1cn2c(n1)C[C@@H](C[NH2+][C@H]1CCSC1)CC2 ZINC000309594583 385717961 /nfs/dbraw/zinc/71/79/61/385717961.db2.gz HZUZXMFMUXGTHH-QWRGUYRKSA-N 1 0 237.372 1.541 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000235604763 259674491 /nfs/dbraw/zinc/67/44/91/259674491.db2.gz BVGLJNADZNVVMB-MWLCHTKSSA-N 1 0 238.335 1.300 10 0 BDAERO CO[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000309574941 385709372 /nfs/dbraw/zinc/70/93/72/385709372.db2.gz OOTNUCKMYKNELN-WRWGMCAJSA-N 1 0 227.348 1.815 10 0 BDAERO CO[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000309574937 385709806 /nfs/dbraw/zinc/70/98/06/385709806.db2.gz OOTNUCKMYKNELN-DDHJBXDOSA-N 1 0 227.348 1.815 10 0 BDAERO CCOC(=O)CCCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183136810 385736737 /nfs/dbraw/zinc/73/67/37/385736737.db2.gz QGGIFNBIUUEGKS-RYUDHWBXSA-N 1 0 243.347 1.877 10 0 BDAERO Cn1nncc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309611221 385739150 /nfs/dbraw/zinc/73/91/50/385739150.db2.gz ZKXFSWIQKZWMIN-ONGXEEELSA-N 1 0 226.299 1.433 10 0 BDAERO Cn1nncc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309611217 385739556 /nfs/dbraw/zinc/73/95/56/385739556.db2.gz ZKXFSWIQKZWMIN-GXSJLCMTSA-N 1 0 226.299 1.433 10 0 BDAERO C[C@H]([NH3+])CCNc1nccc(C(C)(C)C)n1 ZINC000309636637 385763084 /nfs/dbraw/zinc/76/30/84/385763084.db2.gz MXXZFJTZBLXHHK-VIFPVBQESA-N 1 0 222.336 1.923 10 0 BDAERO CC(=O)N1C[C@H](CC[NH3+])Nc2ccccc21 ZINC000616584073 385722767 /nfs/dbraw/zinc/72/27/67/385722767.db2.gz HHVIHGSKUCGXCD-JTQLQIEISA-N 1 0 219.288 1.182 10 0 BDAERO C[C@@H](O)C[N@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000289918857 385724878 /nfs/dbraw/zinc/72/48/78/385724878.db2.gz UCTTZDLGKITQAQ-YPMHNXCESA-N 1 0 235.327 1.001 10 0 BDAERO CC(C)[C@@H](C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263295997 385809629 /nfs/dbraw/zinc/80/96/29/385809629.db2.gz WHDKIAYBNYPHSA-ZJUUUORDSA-N 1 0 238.335 1.405 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1ccccc1OC ZINC000215990979 385857361 /nfs/dbraw/zinc/85/73/61/385857361.db2.gz BNGQVWYNCWYKLE-PWSUYJOCSA-N 1 0 249.310 1.561 10 0 BDAERO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1CC(C)C1 ZINC000521433523 385824984 /nfs/dbraw/zinc/82/49/84/385824984.db2.gz COXHUJWIURKZFU-MCIGGMRASA-N 1 0 226.364 1.864 10 0 BDAERO CC(C)(NC(=O)C1C[NH2+]C1)c1cccc(F)c1 ZINC000263309856 385827741 /nfs/dbraw/zinc/82/77/41/385827741.db2.gz PAXSYGYXUUICDV-UHFFFAOYSA-N 1 0 236.290 1.396 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000121280956 385828940 /nfs/dbraw/zinc/82/89/40/385828940.db2.gz JHOCWMQQVVMNEA-WHOHXGKFSA-N 1 0 213.321 1.305 10 0 BDAERO O=C(c1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000215681279 385848577 /nfs/dbraw/zinc/84/85/77/385848577.db2.gz LRZWINGOMYPEAS-FGWVZKOKSA-N 1 0 216.284 1.795 10 0 BDAERO CCNC(=[NH2+])N[C@H]1CC[C@@H](C)SC1 ZINC000575533373 385889346 /nfs/dbraw/zinc/88/93/46/385889346.db2.gz BOAURVNVWYFHGV-SFYZADRCSA-N 1 0 201.339 1.404 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1ncc(Br)cn1 ZINC000307072428 385889614 /nfs/dbraw/zinc/88/96/14/385889614.db2.gz IIBFZCQMRZRIKQ-PHDIDXHHSA-N 1 0 245.124 1.387 10 0 BDAERO COC(=O)[C@@]1(c2ccccc2OC)CC[NH2+]C1 ZINC000260600299 385908119 /nfs/dbraw/zinc/90/81/19/385908119.db2.gz QDZPAPAVYFPLJQ-ZDUSSCGKSA-N 1 0 235.283 1.099 10 0 BDAERO Fc1cccc(CO[C@H]2CC[NH2+]C2)c1F ZINC000051782642 385915996 /nfs/dbraw/zinc/91/59/96/385915996.db2.gz CVLOFBJVAKOWBZ-VIFPVBQESA-N 1 0 213.227 1.843 10 0 BDAERO COC(=O)[C@]1(c2ccccc2F)CC[NH2+]C1 ZINC000260651754 385927396 /nfs/dbraw/zinc/92/73/96/385927396.db2.gz GOSLVOCSNYYSLX-GFCCVEGCSA-N 1 0 223.247 1.230 10 0 BDAERO [NH3+][C@H]1COC[C@@H]1Cc1ccc(Br)o1 ZINC000575529934 385860228 /nfs/dbraw/zinc/86/02/28/385860228.db2.gz HFJVUVUIXXKTLR-XPUUQOCRSA-N 1 0 246.104 1.558 10 0 BDAERO CCN(C)C(=O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000217350301 385881353 /nfs/dbraw/zinc/88/13/53/385881353.db2.gz ZJKSWUNQLIYNHO-GFCCVEGCSA-N 1 0 248.326 1.447 10 0 BDAERO CS[C@@H]1CC[C@@H]1N1CC[NH2+][C@@H](C)C1 ZINC000575550975 385985489 /nfs/dbraw/zinc/98/54/89/385985489.db2.gz VGWXHRMBZMDAQC-LPEHRKFASA-N 1 0 200.351 1.174 10 0 BDAERO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1C ZINC000273357128 385992694 /nfs/dbraw/zinc/99/26/94/385992694.db2.gz CASAVBWHAFTZDR-KGLIPLIRSA-N 1 0 235.327 1.231 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1CNC(=O)C(F)(F)F ZINC000575539245 385940366 /nfs/dbraw/zinc/94/03/66/385940366.db2.gz UYSIXVCKKSLWLA-RNFRBKRXSA-N 1 0 224.226 1.053 10 0 BDAERO COC(=O)c1cc(C[NH2+][C@@H]2C[C@H]2C)cn1C ZINC000336746698 385963151 /nfs/dbraw/zinc/96/31/51/385963151.db2.gz WTEGABFIEMPBLM-PSASIEDQSA-N 1 0 222.288 1.310 10 0 BDAERO Cc1nn(C)cc1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000307652370 385964871 /nfs/dbraw/zinc/96/48/71/385964871.db2.gz SRUWYRCIBZBAIP-PSASIEDQSA-N 1 0 207.277 1.039 10 0 BDAERO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCS1(=O)=O ZINC000309849049 386029639 /nfs/dbraw/zinc/02/96/39/386029639.db2.gz WOYGFLGBASVULQ-IYKVGLELSA-N 1 0 243.372 1.340 10 0 BDAERO C[C@]1([C@H]2CCCCO2)[NH2+]CCCS1 ZINC000575563974 386053809 /nfs/dbraw/zinc/05/38/09/386053809.db2.gz XSEGRYFYYPQDNG-ZJUUUORDSA-N 1 0 201.335 1.998 10 0 BDAERO C[C@@H]([NH3+])c1cnc(-c2cnn(C)c2)s1 ZINC000054160651 386112665 /nfs/dbraw/zinc/11/26/65/386112665.db2.gz RCIBFPBLTWCZQO-ZCFIWIBFSA-N 1 0 208.290 1.563 10 0 BDAERO Cc1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)o1 ZINC000310576698 386208154 /nfs/dbraw/zinc/20/81/54/386208154.db2.gz PVEUOTPKNIRFPX-LLVKDONJSA-N 1 0 236.315 1.736 10 0 BDAERO C[C@@H]1C[C@H](N)C[N@@H+]1C[C@@H]1CCSC1 ZINC000575588320 386307532 /nfs/dbraw/zinc/30/75/32/386307532.db2.gz AJDDXYGNDHXMGQ-UTLUCORTSA-N 1 0 200.351 1.161 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccon3)C[C@@H]2C1 ZINC000425527826 386317364 /nfs/dbraw/zinc/31/73/64/386317364.db2.gz ODFKYWHRLQYUTN-JBLDHEPKSA-N 1 0 222.288 1.267 10 0 BDAERO Cc1ccnc(C[N@@H+]2CCC[C@@H]2CCCO)n1 ZINC000336689248 386353933 /nfs/dbraw/zinc/35/39/33/386353933.db2.gz HJVHXZOGIDNRFJ-GFCCVEGCSA-N 1 0 235.331 1.522 10 0 BDAERO C[C@H](O)CCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000336681069 386330936 /nfs/dbraw/zinc/33/09/36/386330936.db2.gz HGJVNZLZGUMGQG-DCAQKATOSA-N 1 0 201.310 1.257 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(CO)cc1 ZINC000399191757 386444037 /nfs/dbraw/zinc/44/40/37/386444037.db2.gz JLAXPLMPGZCADV-FZMZJTMJSA-N 1 0 235.327 1.524 10 0 BDAERO COc1cccc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)n1 ZINC000399190768 386444318 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CC[C@@H]1C[C@]2(CO1)[NH2+]CC[C@@H](C)S2 ZINC000575506878 387374801 /nfs/dbraw/zinc/37/48/01/387374801.db2.gz CMASPFSZNQLIIS-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO CC[NH2+][C@@H]1CO[C@]2(CS[C@H](C)C2)C1 ZINC000575511206 387382858 /nfs/dbraw/zinc/38/28/58/387382858.db2.gz NXOGICZFXZTTGC-UTLUCORTSA-N 1 0 201.335 1.649 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C/C=C/Cl ZINC000575498349 387332093 /nfs/dbraw/zinc/33/20/93/387332093.db2.gz QBJPINVOTSCHLS-RQYQQKASSA-N 1 0 202.729 1.810 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000643486058 387338786 /nfs/dbraw/zinc/33/87/86/387338786.db2.gz NKFLNRVMLSNGEW-WDEREUQCSA-N 1 0 226.364 1.925 10 0 BDAERO C[C@@H]1CN[C@]2(CC[NH2+]C(C)(C)C2)S1 ZINC000575512283 387383430 /nfs/dbraw/zinc/38/34/30/387383430.db2.gz MAEQFNWOKWLNSB-PSASIEDQSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)[C@H]1C[C@H]1C ZINC000321986526 387344451 /nfs/dbraw/zinc/34/44/51/387344451.db2.gz DNDXDEYGDLBYHC-ZNSHCXBVSA-N 1 0 231.361 1.198 10 0 BDAERO CC(C)[C@@H]1C[C@]2(CO1)[NH2+]C[C@@H](C)S2 ZINC000575500766 387346287 /nfs/dbraw/zinc/34/62/87/387346287.db2.gz HXWBOVHWYXDUTA-UTLUCORTSA-N 1 0 201.335 1.853 10 0 BDAERO Cc1c(C[NH2+]CCSC(C)C)cnn1C ZINC000290090497 387350482 /nfs/dbraw/zinc/35/04/82/387350482.db2.gz JMGOTOZRYBGPFP-UHFFFAOYSA-N 1 0 227.377 1.960 10 0 BDAERO CCC(=O)C[N@@H+]1CCSCC[C@@H]1C ZINC000306572150 387429513 /nfs/dbraw/zinc/42/95/13/387429513.db2.gz HMNLMNWBWRSJPT-VIFPVBQESA-N 1 0 201.335 1.793 10 0 BDAERO C[C@](O)(c1ccsn1)C1CC[NH2+]CC1 ZINC000306576234 387436703 /nfs/dbraw/zinc/43/67/03/387436703.db2.gz KBRZNODGOVOZHH-SNVBAGLBSA-N 1 0 212.318 1.350 10 0 BDAERO CC1(C)CS[C@H]([C@H]2CCCCO2)[NH2+]1 ZINC000575522365 387441033 /nfs/dbraw/zinc/44/10/33/387441033.db2.gz BJOSEWSXUXTSKH-RKDXNWHRSA-N 1 0 201.335 1.997 10 0 BDAERO CO[C@]1(C)C[C@H]1NC1=[NH+]C[C@@H](C)S1 ZINC000575522071 387442632 /nfs/dbraw/zinc/44/26/32/387442632.db2.gz XRRJGIYUASYRQQ-ZXFLCMHBSA-N 1 0 200.307 1.245 10 0 BDAERO CO[C@@]1(C)C[C@H]1NC1=[NH+][C@@H](C)CS1 ZINC000575521610 387451700 /nfs/dbraw/zinc/45/17/00/387451700.db2.gz BNJHSMFTFUVHNM-OOZYFLPDSA-N 1 0 200.307 1.245 10 0 BDAERO CO[C@@H](C)c1nsc(NC[C@H]([NH3+])C(C)C)n1 ZINC000304240684 387452639 /nfs/dbraw/zinc/45/26/39/387452639.db2.gz DEOSEDNIDQCPOJ-YUMQZZPRSA-N 1 0 244.364 1.641 10 0 BDAERO C[C@@H]1CN[C@@]2(C[N@H+](C)C(C)(C)C2)S1 ZINC000575521169 387453139 /nfs/dbraw/zinc/45/31/39/387453139.db2.gz PJFMHLMOZWSSGT-PSASIEDQSA-N 1 0 200.351 1.522 10 0 BDAERO C[C@@H]1CCS[C@H]([C@@H]2CCCCO2)[NH2+]1 ZINC000575523360 387454106 /nfs/dbraw/zinc/45/41/06/387454106.db2.gz QLNIZYNCWZWNMX-KXUCPTDWSA-N 1 0 201.335 1.997 10 0 BDAERO [NH3+]C[C@H]1CCN1c1cncc(Br)c1 ZINC000575513653 387388443 /nfs/dbraw/zinc/38/84/43/387388443.db2.gz DPXRKTRKNCYTHN-MRVPVSSYSA-N 1 0 242.120 1.382 10 0 BDAERO CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CO1 ZINC000396822867 387494755 /nfs/dbraw/zinc/49/47/55/387494755.db2.gz LFVQZRREPUTGGJ-OUAUKWLOSA-N 1 0 213.321 1.305 10 0 BDAERO OC[C@@H]1C[C@@]2(CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000584626972 387504009 /nfs/dbraw/zinc/50/40/09/387504009.db2.gz WXNGJCXHJXLYGS-GJZGRUSLSA-N 1 0 247.338 1.660 10 0 BDAERO Cc1noc(C)c1CNC[C@@H]1CCC[NH2+]C1 ZINC000045949199 387513606 /nfs/dbraw/zinc/51/36/06/387513606.db2.gz ONHRKRXZTOAIAX-LLVKDONJSA-N 1 0 223.320 1.381 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000324619849 387470169 /nfs/dbraw/zinc/47/01/69/387470169.db2.gz PLDOJZMXNANDOL-QWRGUYRKSA-N 1 0 214.353 1.125 10 0 BDAERO O=C1C[C@H]2CC[C@@H](CN1Cc1ccccc1)[NH2+]2 ZINC000575537287 387580190 /nfs/dbraw/zinc/58/01/90/387580190.db2.gz DSZZUVUOKGAWNT-OLZOCXBDSA-N 1 0 230.311 1.540 10 0 BDAERO CC(C)[C@](C)([NH2+]C[C@@H]1Cc2ccccc21)C(N)=O ZINC000297709657 387593322 /nfs/dbraw/zinc/59/33/22/387593322.db2.gz QZCLTOPPACMMPL-WFASDCNBSA-N 1 0 246.354 1.816 10 0 BDAERO C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000249055121 387596849 /nfs/dbraw/zinc/59/68/49/387596849.db2.gz OXCLAYSIIDSAGC-VXGBXAGGSA-N 1 0 222.332 1.553 10 0 BDAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CCOC1 ZINC000124229279 387607681 /nfs/dbraw/zinc/60/76/81/387607681.db2.gz PKPSCORZUBJCAN-FATJJJSSSA-N 1 0 247.338 1.659 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnn(C)c1 ZINC000122822332 387607899 /nfs/dbraw/zinc/60/78/99/387607899.db2.gz MJKCMUCPYCVBCX-UONOGXRCSA-N 1 0 248.374 1.479 10 0 BDAERO CCC[C@H](C(=O)N1CCC[C@@H]1C)[NH+](C)C ZINC000124308378 387612685 /nfs/dbraw/zinc/61/26/85/387612685.db2.gz WUFVDQBVYOPVHG-WDEREUQCSA-N 1 0 212.337 1.728 10 0 BDAERO CSCC[N@@H+]1CCC[C@@H]1CCCO ZINC000122638023 387570854 /nfs/dbraw/zinc/57/08/54/387570854.db2.gz YAGQBZIFJBDBEF-SNVBAGLBSA-N 1 0 203.351 1.586 10 0 BDAERO CC[C@H]1[NH2+]CC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000575550392 387643404 /nfs/dbraw/zinc/64/34/04/387643404.db2.gz UJXHYUYLGWOGPC-NEPJUHHUSA-N 1 0 244.294 1.423 10 0 BDAERO C[C@@H]1C[C@@]([NH3+])(c2cncs2)CS1 ZINC000575573896 387750802 /nfs/dbraw/zinc/75/08/02/387750802.db2.gz ZTSMZZKUKJOGOW-SVRRBLITSA-N 1 0 200.332 1.823 10 0 BDAERO O=C(CC[N@H+]1CC[C@H](CCO)C1)c1ccccc1 ZINC000128758998 387753905 /nfs/dbraw/zinc/75/39/05/387753905.db2.gz GFSIWHVOPHCNRT-CYBMUJFWSA-N 1 0 247.338 1.964 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(C)(C)C ZINC000129440162 387770339 /nfs/dbraw/zinc/77/03/39/387770339.db2.gz XFUZDAFGWPKVRO-NXEZZACHSA-N 1 0 222.336 1.617 10 0 BDAERO c1ccc2c(c1)CC[C@H](CN[C@H]1CC[NH2+]C1)C2 ZINC000643477987 387802879 /nfs/dbraw/zinc/80/28/79/387802879.db2.gz MKEINKDSXIFKCE-WFASDCNBSA-N 1 0 230.355 1.743 10 0 BDAERO OCC[C@@H](N[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000423004275 387825654 /nfs/dbraw/zinc/82/56/54/387825654.db2.gz JKRXGVROZMKVLR-CHWSQXEVSA-N 1 0 226.364 1.269 10 0 BDAERO OCC[C@H](N[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000423004276 387825779 /nfs/dbraw/zinc/82/57/79/387825779.db2.gz JKRXGVROZMKVLR-OLZOCXBDSA-N 1 0 226.364 1.269 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054444107 387826587 /nfs/dbraw/zinc/82/65/87/387826587.db2.gz LTDYEFYRICRVTP-PWSUYJOCSA-N 1 0 247.342 1.551 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000390822215 387840178 /nfs/dbraw/zinc/84/01/78/387840178.db2.gz VDLQWFAVDYRRGW-RKDXNWHRSA-N 1 0 226.320 1.781 10 0 BDAERO Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1O ZINC000061883441 387846987 /nfs/dbraw/zinc/84/69/87/387846987.db2.gz YDDGFNVORQTFKO-PWSUYJOCSA-N 1 0 248.326 1.558 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1O ZINC000061882945 387847974 /nfs/dbraw/zinc/84/79/74/387847974.db2.gz KNMRUANSCYYYPF-ONGXEEELSA-N 1 0 234.299 1.249 10 0 BDAERO CSCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000193885177 387865760 /nfs/dbraw/zinc/86/57/60/387865760.db2.gz JMDFSFMPBBYMGX-QWRGUYRKSA-N 1 0 215.362 1.993 10 0 BDAERO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@H]1CO ZINC000393205579 387871507 /nfs/dbraw/zinc/87/15/07/387871507.db2.gz FTTMVNLKXBGBAV-KWCYVHTRSA-N 1 0 219.328 1.896 10 0 BDAERO Cc1cc(C)c(C[NH2+][C@H](C)C(N)=O)c(C)c1 ZINC000035148788 177861729 /nfs/dbraw/zinc/86/17/29/177861729.db2.gz SRUHQPWEWMAZKU-LLVKDONJSA-N 1 0 220.316 1.575 10 0 BDAERO OCCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000236504033 387893047 /nfs/dbraw/zinc/89/30/47/387893047.db2.gz BKWMRULCSHMBNA-GFCCVEGCSA-N 1 0 221.300 1.742 10 0 BDAERO O=C(C1CCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195092391 387904775 /nfs/dbraw/zinc/90/47/75/387904775.db2.gz FFHWBJDJZGMSMA-LBPRGKRZSA-N 1 0 222.332 1.483 10 0 BDAERO COc1ccncc1CN[C@@H]1CCC[NH2+]CC1 ZINC000423130685 387907974 /nfs/dbraw/zinc/90/79/74/387907974.db2.gz NCQNTXRGNNIULT-GFCCVEGCSA-N 1 0 235.331 1.322 10 0 BDAERO COCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515974 387922984 /nfs/dbraw/zinc/92/29/84/387922984.db2.gz ZOJKGTHRXNJWBT-CYBMUJFWSA-N 1 0 249.358 1.852 10 0 BDAERO COCC[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518035 387923091 /nfs/dbraw/zinc/92/30/91/387923091.db2.gz DQUGHSHNWUUELT-LLVKDONJSA-N 1 0 239.319 1.279 10 0 BDAERO CC[N@@H+]1CC[C@]2(C1)NCC[C@H](C)S2 ZINC000306154630 387926393 /nfs/dbraw/zinc/92/63/93/387926393.db2.gz BLMHQQYZGCTRAQ-UWVGGRQHSA-N 1 0 200.351 1.523 10 0 BDAERO CC[C@@H](C(=O)OC)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245475518 387950690 /nfs/dbraw/zinc/95/06/90/387950690.db2.gz RZTDALLJZSDIER-NEPJUHHUSA-N 1 0 242.363 1.354 10 0 BDAERO Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c(C)o1 ZINC000038049257 177813001 /nfs/dbraw/zinc/81/30/01/177813001.db2.gz WIZBKFHZAZOHSU-RYUDHWBXSA-N 1 0 236.315 1.896 10 0 BDAERO CC(=O)CC[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000245745328 387981312 /nfs/dbraw/zinc/98/13/12/387981312.db2.gz XWXTVKVYMMQAAL-WCQYABFASA-N 1 0 235.331 1.745 10 0 BDAERO C[C@@H]([NH3+])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000036881011 387995180 /nfs/dbraw/zinc/99/51/80/387995180.db2.gz KXHWBXMYCADRCH-MRVPVSSYSA-N 1 0 218.256 1.360 10 0 BDAERO CC[C@H]([NH3+])c1nc2c(s1)CN(C)CC2 ZINC000041059264 387984782 /nfs/dbraw/zinc/98/47/82/387984782.db2.gz KGONCQJJNGPCTH-ZETCQYMHSA-N 1 0 211.334 1.541 10 0 BDAERO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1N1CCOCC1 ZINC000245960207 387997130 /nfs/dbraw/zinc/99/71/30/387997130.db2.gz CSCYQFAMMRPTLE-DGCLKSJQSA-N 1 0 224.348 1.049 10 0 BDAERO CO[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080999780 388005687 /nfs/dbraw/zinc/00/56/87/388005687.db2.gz OVYHTTUHODMPHJ-GRYCIOLGSA-N 1 0 240.347 1.202 10 0 BDAERO CCOC(=O)CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083552921 388055168 /nfs/dbraw/zinc/05/51/68/388055168.db2.gz JVPHJOHMBVCYLF-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO Cc1noc(C)c1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000083551004 388055289 /nfs/dbraw/zinc/05/52/89/388055289.db2.gz ZTZQJLZOYYUVNY-GWCFXTLKSA-N 1 0 249.358 1.960 10 0 BDAERO CCCCOCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083552917 388055590 /nfs/dbraw/zinc/05/55/90/388055590.db2.gz IJCKUJWKCGGXDM-UONOGXRCSA-N 1 0 240.391 1.972 10 0 BDAERO CCOc1cncc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000083644638 388056426 /nfs/dbraw/zinc/05/64/26/388056426.db2.gz YLNMWUKDPIHPEA-SNVBAGLBSA-N 1 0 238.335 1.661 10 0 BDAERO CCOC(=O)CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000083705036 388061228 /nfs/dbraw/zinc/06/12/28/388061228.db2.gz IOJNBLMTLMVKQV-RYUDHWBXSA-N 1 0 240.347 1.108 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2ccnc(N(C)C)n2)C1 ZINC000085436981 388088241 /nfs/dbraw/zinc/08/82/41/388088241.db2.gz UTXRUZGBJKLEKG-LLVKDONJSA-N 1 0 249.362 1.439 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C1CCC1 ZINC000449272220 388165456 /nfs/dbraw/zinc/16/54/56/388165456.db2.gz UAZPBLZACIFGKD-RAIGVLPGSA-N 1 0 236.359 1.633 10 0 BDAERO CC[C@@H]([NH2+]Cc1cnnn1C)C(C)(C)C ZINC000165497399 388253106 /nfs/dbraw/zinc/25/31/06/388253106.db2.gz BKQBMJNUQFXJHD-SNVBAGLBSA-N 1 0 210.325 1.729 10 0 BDAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336662145 388258969 /nfs/dbraw/zinc/25/89/69/388258969.db2.gz CZBKFGGHCWZOKZ-AEJSXWLSSA-N 1 0 242.388 1.527 10 0 BDAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336662153 388258980 /nfs/dbraw/zinc/25/89/80/388258980.db2.gz CZBKFGGHCWZOKZ-OPRDCNLKSA-N 1 0 242.388 1.527 10 0 BDAERO CCOCCN1CC[N@@H+]([C@@H](C)CC)C[C@H]1C ZINC000181124660 256608035 /nfs/dbraw/zinc/60/80/35/256608035.db2.gz SWOXMPTWNWODAF-QWHCGFSZSA-N 1 0 228.380 1.828 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC000491953672 388329508 /nfs/dbraw/zinc/32/95/08/388329508.db2.gz KUDHINSJAQQPNT-WSROAFLRSA-N 1 0 247.342 1.628 10 0 BDAERO CN(C)[C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300029637 388345061 /nfs/dbraw/zinc/34/50/61/388345061.db2.gz LVSGTDVJOBTIBB-UONOGXRCSA-N 1 0 240.391 1.564 10 0 BDAERO CCSCC[NH2+]CCn1ccnc1C ZINC000275844570 388345683 /nfs/dbraw/zinc/34/56/83/388345683.db2.gz VGUNFPPABAADFV-UHFFFAOYSA-N 1 0 213.350 1.534 10 0 BDAERO NC(=[NH2+])Nc1cccc(Br)c1F ZINC000575522706 388359019 /nfs/dbraw/zinc/35/90/19/388359019.db2.gz CJGOCIJXIYVGRB-UHFFFAOYSA-N 1 0 232.056 1.894 10 0 BDAERO [NH3+]CCc1nnc(-c2ccccc2)s1 ZINC000057493215 388361178 /nfs/dbraw/zinc/36/11/78/388361178.db2.gz SBPUZHLEGIPPNR-UHFFFAOYSA-N 1 0 205.286 1.706 10 0 BDAERO CCC[C@@H](C(=O)N(C)CCC1CC1)[NH+](C)C ZINC000163583361 388365672 /nfs/dbraw/zinc/36/56/72/388365672.db2.gz KNBXUISANKVSJZ-LBPRGKRZSA-N 1 0 226.364 1.975 10 0 BDAERO C[C@@H]([NH3+])c1ncn(Cc2cccs2)n1 ZINC000162959847 388367302 /nfs/dbraw/zinc/36/73/02/388367302.db2.gz VIGUQSQCOSEHKU-SSDOTTSWSA-N 1 0 208.290 1.408 10 0 BDAERO Cc1nnc(N2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000228083099 388378236 /nfs/dbraw/zinc/37/82/36/388378236.db2.gz OYKNYAVFHSZVNU-SVRRBLITSA-N 1 0 212.322 1.020 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCC1(C)CC1 ZINC000646556090 388381481 /nfs/dbraw/zinc/38/14/81/388381481.db2.gz KUADHLZESZGFAI-JTQLQIEISA-N 1 0 212.337 1.666 10 0 BDAERO Cc1nocc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000293540721 388389810 /nfs/dbraw/zinc/38/98/10/388389810.db2.gz KDVMLWMGHXDAIC-ZYHUDNBSSA-N 1 0 224.304 1.624 10 0 BDAERO CC[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000059394563 388396084 /nfs/dbraw/zinc/39/60/84/388396084.db2.gz YAXQFMWHBFCHMM-OLZOCXBDSA-N 1 0 204.317 1.856 10 0 BDAERO Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C)o1 ZINC000294716747 388403217 /nfs/dbraw/zinc/40/32/17/388403217.db2.gz CHFWTFMVNPDKLK-ZYHUDNBSSA-N 1 0 209.289 1.933 10 0 BDAERO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)o1 ZINC000334745985 388447336 /nfs/dbraw/zinc/44/73/36/388447336.db2.gz MJHBFFANCGHLFF-GXSJLCMTSA-N 1 0 209.289 1.791 10 0 BDAERO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)o1 ZINC000334745988 388447600 /nfs/dbraw/zinc/44/76/00/388447600.db2.gz MJHBFFANCGHLFF-ONGXEEELSA-N 1 0 209.289 1.791 10 0 BDAERO CC(C)n1cncc1C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000335597204 388451455 /nfs/dbraw/zinc/45/14/55/388451455.db2.gz PEIZNOLRMQBETQ-AAEUAGOBSA-N 1 0 237.347 1.809 10 0 BDAERO C[C@@H](CC[NH3+])Nc1nccc(C(C)(C)C)n1 ZINC000336686835 388462880 /nfs/dbraw/zinc/46/28/80/388462880.db2.gz JAWVUNNEERUYAR-VIFPVBQESA-N 1 0 222.336 1.923 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2cc(C)ns2)C1 ZINC000404474283 388421045 /nfs/dbraw/zinc/42/10/45/388421045.db2.gz OYYCLNYIMLVIKR-JTQLQIEISA-N 1 0 225.361 1.635 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000573138495 388423697 /nfs/dbraw/zinc/42/36/97/388423697.db2.gz MOLSWRQBMIGHDT-VXGBXAGGSA-N 1 0 224.348 1.239 10 0 BDAERO CCc1cc(N2C[C@@H](OC)C[C@H]2CO)cc[nH+]1 ZINC000307775762 388425485 /nfs/dbraw/zinc/42/54/85/388425485.db2.gz HDOADAUCFXFBHX-STQMWFEESA-N 1 0 236.315 1.230 10 0 BDAERO [NH3+]CC[S@](=O)c1ccc2c(c1)CCC2 ZINC000040954839 388430009 /nfs/dbraw/zinc/43/00/09/388430009.db2.gz ICQBABKQQCSCFV-CQSZACIVSA-N 1 0 209.314 1.242 10 0 BDAERO C[NH2+][C@@H]1CC[S@](=O)c2c(C)cccc21 ZINC000040988667 388430035 /nfs/dbraw/zinc/43/00/35/388430035.db2.gz PKFVIOCJBDXQJL-QMTHXVAHSA-N 1 0 209.314 1.767 10 0 BDAERO [NH3+]C[C@H](O)Cc1ccc(Cl)cc1Cl ZINC000041233697 388433272 /nfs/dbraw/zinc/43/32/72/388433272.db2.gz HSNXWSRFIHMEMJ-MRVPVSSYSA-N 1 0 220.099 1.856 10 0 BDAERO CCC[C@H](C(=O)NCCCCOCC)[NH+](C)C ZINC000136780351 388548122 /nfs/dbraw/zinc/54/81/22/388548122.db2.gz IEGYEAFVAAOAQM-GFCCVEGCSA-N 1 0 244.379 1.650 10 0 BDAERO c1cnc2c(c1)CCC[C@@H]2N1CC[NH2+]CC1 ZINC000082368845 388586882 /nfs/dbraw/zinc/58/68/82/388586882.db2.gz SYWSFZMFYTYKRL-LBPRGKRZSA-N 1 0 217.316 1.364 10 0 BDAERO CN(c1ccnc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000379142796 388590880 /nfs/dbraw/zinc/59/08/80/388590880.db2.gz BMYLHTRWWGAQQT-JTQLQIEISA-N 1 0 228.299 1.428 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncn1C ZINC000245584167 388591420 /nfs/dbraw/zinc/59/14/20/388591420.db2.gz DKNHJPYAVYFDDJ-OLZOCXBDSA-N 1 0 248.374 1.479 10 0 BDAERO CC(C)[C@@H](C)CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000081059617 388567139 /nfs/dbraw/zinc/56/71/39/388567139.db2.gz MSRLFKZHSDZFMS-CMPLNLGQSA-N 1 0 212.337 1.537 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOC ZINC000245429909 388578894 /nfs/dbraw/zinc/57/88/94/388578894.db2.gz NIBUFOAYJZKPOC-NEPJUHHUSA-N 1 0 212.337 1.191 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC(C)(C)C ZINC000124924469 388666857 /nfs/dbraw/zinc/66/68/57/388666857.db2.gz SUXZKHXKHPUQMH-LLVKDONJSA-N 1 0 241.379 1.911 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CSCCN2)C1 ZINC000253628438 388621137 /nfs/dbraw/zinc/62/11/37/388621137.db2.gz XMVATCYKQJRGSV-VWYCJHECSA-N 1 0 214.378 1.470 10 0 BDAERO CC(C)N(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246321628 388630021 /nfs/dbraw/zinc/63/00/21/388630021.db2.gz FMLRUTHDBKWAPX-VXGBXAGGSA-N 1 0 241.379 1.765 10 0 BDAERO Cc1csc2c1ncnc2N[C@H](C)C[NH3+] ZINC000222337222 388632371 /nfs/dbraw/zinc/63/23/71/388632371.db2.gz MOFFXSXZWDCMDP-SSDOTTSWSA-N 1 0 222.317 1.759 10 0 BDAERO CC[NH2+]CCCNc1nc(C2CC2)ns1 ZINC000083670068 388646247 /nfs/dbraw/zinc/64/62/47/388646247.db2.gz PICJLZSSEQGAGX-UHFFFAOYSA-N 1 0 226.349 1.827 10 0 BDAERO CCCc1noc([C@@H]2OCC[C@@H]2C[NH3+])n1 ZINC000521400024 388704226 /nfs/dbraw/zinc/70/42/26/388704226.db2.gz RFPLSVGWWBXKIZ-VXNVDRBHSA-N 1 0 211.265 1.058 10 0 BDAERO CN1C(=O)OC2(C[NH2+]C2)[C@H]1c1cccs1 ZINC000521399963 388704288 /nfs/dbraw/zinc/70/42/88/388704288.db2.gz GPYDHPMYJWSGPO-MRVPVSSYSA-N 1 0 224.285 1.213 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](CC[C@H]3CCCO3)C2)cn1 ZINC000249256524 388712541 /nfs/dbraw/zinc/71/25/41/388712541.db2.gz HLANPUBVRCPGOI-GXTWGEPZSA-N 1 0 249.358 1.779 10 0 BDAERO CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000249266997 388714316 /nfs/dbraw/zinc/71/43/16/388714316.db2.gz JFNRSGJUSPALPA-HZSPNIEDSA-N 1 0 240.391 1.828 10 0 BDAERO CCC[C@H](C)[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000249271370 388714547 /nfs/dbraw/zinc/71/45/47/388714547.db2.gz KOGXRWZLOTWUHR-XQQFMLRXSA-N 1 0 228.380 1.562 10 0 BDAERO CC[NH+](CC)C[C@@H](C)NC(=O)OC(C)C ZINC000127227572 388718572 /nfs/dbraw/zinc/71/85/72/388718572.db2.gz MHLYBLCMBFLJQF-SNVBAGLBSA-N 1 0 216.325 1.851 10 0 BDAERO CC[C@H](C)[N@@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000249391261 388719070 /nfs/dbraw/zinc/71/90/70/388719070.db2.gz RQJQBAGTFDZLRH-AVGNSLFASA-N 1 0 228.380 1.562 10 0 BDAERO CCN(C(=O)N[C@@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000194176306 388725988 /nfs/dbraw/zinc/72/59/88/388725988.db2.gz ICFSIIUKZCCJDT-LLVKDONJSA-N 1 0 239.363 1.665 10 0 BDAERO CC(C)OC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000127568211 388727595 /nfs/dbraw/zinc/72/75/95/388727595.db2.gz BDWSWVHPBVPEIJ-GHMZBOCLSA-N 1 0 226.320 1.700 10 0 BDAERO CCCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000128819539 388796295 /nfs/dbraw/zinc/79/62/95/388796295.db2.gz WQUYHWZNSRTBJM-LLVKDONJSA-N 1 0 227.352 1.522 10 0 BDAERO CO[C@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068128550 388759987 /nfs/dbraw/zinc/75/99/87/388759987.db2.gz JJGJPXBHKAPQAO-GHMZBOCLSA-N 1 0 230.352 1.114 10 0 BDAERO COc1ccc(C[NH2+]CC2CC(O)C2)cc1F ZINC000091526070 388764937 /nfs/dbraw/zinc/76/49/37/388764937.db2.gz DFXAJMKUBFRLOK-UHFFFAOYSA-N 1 0 239.290 1.695 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2CC(O)C2)[C@@H]2CCCO[C@@H]21 ZINC000091525266 388765329 /nfs/dbraw/zinc/76/53/29/388765329.db2.gz GSQTYEKJNDZADP-WJFHSMSDSA-N 1 0 239.359 1.551 10 0 BDAERO C[C@@H](O)CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000228035359 388766016 /nfs/dbraw/zinc/76/60/16/388766016.db2.gz PROMFMZSZAXLHT-RHYQMDGZSA-N 1 0 227.348 1.551 10 0 BDAERO [NH3+][C@H]1COC[C@@H]1c1sccc1Br ZINC000575456827 388789175 /nfs/dbraw/zinc/78/91/75/388789175.db2.gz QVTJICZRRDLWPK-FSPLSTOPSA-N 1 0 248.145 1.952 10 0 BDAERO [NH3+][C@H](c1cncs1)[C@H]1CSCCO1 ZINC000575463796 388830435 /nfs/dbraw/zinc/83/04/35/388830435.db2.gz DOIOSMCHPRADQS-SVRRBLITSA-N 1 0 216.331 1.275 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC000300579690 388837021 /nfs/dbraw/zinc/83/70/21/388837021.db2.gz HVIMETHNQDIENN-LOWDOPEQSA-N 1 0 245.363 1.177 10 0 BDAERO Cn1cc(Br)c([C@H]([NH3+])C2CC2)n1 ZINC000575481551 388863296 /nfs/dbraw/zinc/86/32/96/388863296.db2.gz HGBYXZBWKHGUNA-SSDOTTSWSA-N 1 0 230.109 1.592 10 0 BDAERO CC(C)[C@H]1COC[C@]12[NH2+]CCCS2 ZINC000575482280 388863335 /nfs/dbraw/zinc/86/33/35/388863335.db2.gz QUIRTXNWHIHQHE-NXEZZACHSA-N 1 0 201.335 1.712 10 0 BDAERO CNC(=[NH2+])NC[C@@H]1CCCSCC1 ZINC000575482354 388863969 /nfs/dbraw/zinc/86/39/69/388863969.db2.gz CHMQZRKRUGWKFQ-MRVPVSSYSA-N 1 0 201.339 1.263 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1cscc1Br ZINC000575481683 388864002 /nfs/dbraw/zinc/86/40/02/388864002.db2.gz BWLLAAZDTKLNTQ-FFWSUHOLSA-N 1 0 236.134 1.891 10 0 BDAERO C[C@H]([NH3+])C1CCN(C(=O)C2CC(C)C2)CC1 ZINC000565773083 388968513 /nfs/dbraw/zinc/96/85/13/388968513.db2.gz HSXPCHDWYHPFPB-YZRBJQDESA-N 1 0 224.348 1.618 10 0 BDAERO FCCCCC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404142853 388949469 /nfs/dbraw/zinc/94/94/69/388949469.db2.gz HCFRXOYXKNQXPY-VXGBXAGGSA-N 1 0 230.327 1.189 10 0 BDAERO CC1(C)CSC[C@]2(C[C@@H]([NH3+])CO2)C1 ZINC000575508524 389001773 /nfs/dbraw/zinc/00/17/73/389001773.db2.gz NDEILPBTWWDJBD-SCZZXKLOSA-N 1 0 201.335 1.636 10 0 BDAERO CO[C@H](C)CC[NH2+]Cc1cnn(C)c1C ZINC000270283492 389011445 /nfs/dbraw/zinc/01/14/45/389011445.db2.gz YKYIPJDXJQWLND-SECBINFHSA-N 1 0 211.309 1.243 10 0 BDAERO CC1(C)CN(c2ccccc2C[NH3+])CCO1 ZINC000036231749 132341103 /nfs/dbraw/zinc/34/11/03/132341103.db2.gz VOCDRZQOUNZMCU-UHFFFAOYSA-N 1 0 220.316 1.761 10 0 BDAERO c1cc(N2CC[NH2+]CC2)cc2c1CCC2 ZINC000037483265 132344461 /nfs/dbraw/zinc/34/44/61/132344461.db2.gz VXPXJJPLCBBUBU-UHFFFAOYSA-N 1 0 202.301 1.585 10 0 BDAERO c1cncc(N2CCC[C@]3(CC[NH2+]3)C2)c1 ZINC000038762042 132346338 /nfs/dbraw/zinc/34/63/38/132346338.db2.gz AIVFAXQOZFMBES-LBPRGKRZSA-N 1 0 203.289 1.414 10 0 BDAERO C[C@H]1CCCCN1c1ccnc(C[NH3+])c1 ZINC000051396144 132360034 /nfs/dbraw/zinc/36/00/34/132360034.db2.gz YXXRNGCSOVKQTC-JTQLQIEISA-N 1 0 205.305 1.919 10 0 BDAERO CCN(C)C(=O)CCC1CCC([NH3+])CC1 ZINC000055126226 169665250 /nfs/dbraw/zinc/66/52/50/169665250.db2.gz QGARVMUTOYTIBI-UHFFFAOYSA-N 1 0 212.337 1.762 10 0 BDAERO CCc1ccccc1CNC(=O)[C@@H](C)[NH2+]C ZINC000082774800 322825494 /nfs/dbraw/zinc/82/54/94/322825494.db2.gz DFLOUZHHWGAITM-SNVBAGLBSA-N 1 0 220.316 1.473 10 0 BDAERO CCCCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000042269533 322837341 /nfs/dbraw/zinc/83/73/41/322837341.db2.gz PMACYRYQKQCPOH-QWRGUYRKSA-N 1 0 228.336 1.060 10 0 BDAERO COC[C@H](C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037196349 132295713 /nfs/dbraw/zinc/29/57/13/132295713.db2.gz LSLRMXIQWAGTRC-JQWIXIFHSA-N 1 0 248.326 1.719 10 0 BDAERO Cc1nc2ccc(F)cc2c(N2CC[NH2+]CC2)n1 ZINC000040351396 132296111 /nfs/dbraw/zinc/29/61/11/132296111.db2.gz GDFNEMRPODCXME-UHFFFAOYSA-N 1 0 246.289 1.487 10 0 BDAERO CC1(C)CN(CC[NH3+])c2ccccc2O1 ZINC000041581082 132296993 /nfs/dbraw/zinc/29/69/93/132296993.db2.gz XVMAOVDQLWBJGG-UHFFFAOYSA-N 1 0 206.289 1.623 10 0 BDAERO C[C@H]1CN(c2ccc(N)cc2F)C[C@H](C)[NH2+]1 ZINC000041701554 132297202 /nfs/dbraw/zinc/29/72/02/132297202.db2.gz FKXNCZPJTRPOGY-IUCAKERBSA-N 1 0 223.295 1.595 10 0 BDAERO CCc1nc(CC)c(C)c(N2CCC([NH3+])CC2)n1 ZINC000045951027 132299289 /nfs/dbraw/zinc/29/92/89/132299289.db2.gz ALWLQRONEKNDEI-UHFFFAOYSA-N 1 0 248.374 1.837 10 0 BDAERO NNc1[nH+]c(N2CCCCC2)nc2c1CCCC2 ZINC000051153382 132300511 /nfs/dbraw/zinc/30/05/11/132300511.db2.gz OFRWLJXBGBHBGD-UHFFFAOYSA-N 1 0 247.346 1.631 10 0 BDAERO CCCc1cc(NN)[nH+]c(N2CCC(C)CC2)n1 ZINC000057331584 132300887 /nfs/dbraw/zinc/30/08/87/132300887.db2.gz ZEAGVYKBDBZQFD-UHFFFAOYSA-N 1 0 249.362 1.951 10 0 BDAERO Clc1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000267104286 132304905 /nfs/dbraw/zinc/30/49/05/132304905.db2.gz PSLZYWXAPXOPHK-SNVBAGLBSA-N 1 0 238.722 1.414 10 0 BDAERO Clc1cnc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000267104284 132304975 /nfs/dbraw/zinc/30/49/75/132304975.db2.gz PSLZYWXAPXOPHK-JTQLQIEISA-N 1 0 238.722 1.414 10 0 BDAERO Cc1ncc(N2CC[NH2+]CC2)cc1Cl ZINC000013703898 132322315 /nfs/dbraw/zinc/32/23/15/132322315.db2.gz HUWNZEJJGRGXTO-UHFFFAOYSA-N 1 0 211.696 1.453 10 0 BDAERO CC[C@@H]1CN(c2cccc(OC)c2)CC[NH2+]1 ZINC000016944816 132323714 /nfs/dbraw/zinc/32/37/14/132323714.db2.gz KRUSEGWEXRBMRE-LLVKDONJSA-N 1 0 220.316 1.883 10 0 BDAERO C[NH2+]CCN1CCN(c2cccc(OC)c2)CC1 ZINC000020074262 132329418 /nfs/dbraw/zinc/32/94/18/132329418.db2.gz REARMUPGTWTXGD-UHFFFAOYSA-N 1 0 249.358 1.037 10 0 BDAERO COCC[NH+]1CCN(c2ccccc2N)CC1 ZINC000020265473 132330733 /nfs/dbraw/zinc/33/07/33/132330733.db2.gz DCXAYKLDLMDVKF-UHFFFAOYSA-N 1 0 235.331 1.037 10 0 BDAERO CCCc1nc(N2CCSCC2)cc(N)[nH+]1 ZINC000034085185 132336386 /nfs/dbraw/zinc/33/63/86/132336386.db2.gz WETZJAFHPXHUEE-UHFFFAOYSA-N 1 0 238.360 1.565 10 0 BDAERO CC(C)CC[NH+]1CCN(c2ccc(N)nc2)CC1 ZINC000035081343 132337678 /nfs/dbraw/zinc/33/76/78/132337678.db2.gz GKVNLRJKRFXNLX-UHFFFAOYSA-N 1 0 248.374 1.832 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCOC[C@@H]1C ZINC000035777789 132339299 /nfs/dbraw/zinc/33/92/99/132339299.db2.gz UQKWZOPMAROPMF-NSHDSACASA-N 1 0 220.316 1.631 10 0 BDAERO Cc1cnc(C)c(N2CCC([NH3+])CC2)n1 ZINC000036754916 132342508 /nfs/dbraw/zinc/34/25/08/132342508.db2.gz NKWDEGOGTSCQBR-UHFFFAOYSA-N 1 0 206.293 1.021 10 0 BDAERO Nc1c[nH+]ccc1N1CCN(CC(F)F)CC1 ZINC000037756138 132345257 /nfs/dbraw/zinc/34/52/57/132345257.db2.gz CEFALZKOVIBJNY-UHFFFAOYSA-N 1 0 242.273 1.051 10 0 BDAERO CC[C@H]1CN(c2ccc(C(=O)OC)cc2)CC[NH2+]1 ZINC000039952551 132347077 /nfs/dbraw/zinc/34/70/77/132347077.db2.gz PWMGHRQEDFWOED-LBPRGKRZSA-N 1 0 248.326 1.661 10 0 BDAERO [NH3+]C1CCN(c2cccc(F)c2F)CC1 ZINC000040230835 132347324 /nfs/dbraw/zinc/34/73/24/132347324.db2.gz ZPQKBDVDCYIWQY-UHFFFAOYSA-N 1 0 212.243 1.892 10 0 BDAERO [NH3+]CCC(=O)N1CCSc2ccccc21 ZINC000040854966 132348497 /nfs/dbraw/zinc/34/84/97/132348497.db2.gz LJXKTPHJAFQYMY-UHFFFAOYSA-N 1 0 222.313 1.474 10 0 BDAERO C[NH2+]C1CCN(c2ccc(F)cn2)CC1 ZINC000041045253 132349185 /nfs/dbraw/zinc/34/91/85/132349185.db2.gz AFDJCTPZIXSEIR-UHFFFAOYSA-N 1 0 209.268 1.409 10 0 BDAERO CCC[NH+]1CCN(c2ncccc2CO)CC1 ZINC000042372589 132351256 /nfs/dbraw/zinc/35/12/56/132351256.db2.gz HAUFWBJDDQCZPY-UHFFFAOYSA-N 1 0 235.331 1.106 10 0 BDAERO CCO[C@@H]1CCCN(c2cc[nH+]cc2N)C1 ZINC000042421288 132351570 /nfs/dbraw/zinc/35/15/70/132351570.db2.gz MRFNPTQQLNHVII-SNVBAGLBSA-N 1 0 221.304 1.669 10 0 BDAERO CCCO[C@@H]1CCCN(c2ncccc2C[NH3+])C1 ZINC000042408093 132351572 /nfs/dbraw/zinc/35/15/72/132351572.db2.gz YHHKHFNFAUDWGC-CYBMUJFWSA-N 1 0 249.358 1.936 10 0 BDAERO c1ccc(N2CC[NH2+]CC2)c(OCC2CC2)c1 ZINC000043461326 132353137 /nfs/dbraw/zinc/35/31/37/132353137.db2.gz YAQZFRYAHXYQLA-UHFFFAOYSA-N 1 0 232.327 1.885 10 0 BDAERO COc1ccc(C)cc1N1CCC[C@@H]([NH3+])C1 ZINC000043471393 132353405 /nfs/dbraw/zinc/35/34/05/132353405.db2.gz UAKNTZPBKMWBCT-LLVKDONJSA-N 1 0 220.316 1.931 10 0 BDAERO C[C@@H]1CN(c2cc[nH+]cc2N)CC(C)(C)O1 ZINC000045687167 132354743 /nfs/dbraw/zinc/35/47/43/132354743.db2.gz XSSFAECCHOERCY-SECBINFHSA-N 1 0 221.304 1.668 10 0 BDAERO COc1ccccc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000049694228 132356656 /nfs/dbraw/zinc/35/66/56/132356656.db2.gz XEDHLQXMBARYIM-QWRGUYRKSA-N 1 0 220.316 1.869 10 0 BDAERO C[C@H]([NH3+])[C@@H](O)c1ccc2c(c1)CCCN2C ZINC000050285925 132358799 /nfs/dbraw/zinc/35/87/99/132358799.db2.gz PKKOLZSWYCBGCH-TVQRCGJNSA-N 1 0 220.316 1.450 10 0 BDAERO CC(C)[NH2+]Cc1cccc(N2CCO[C@@H](C)C2)n1 ZINC000051400101 132360742 /nfs/dbraw/zinc/36/07/42/132360742.db2.gz QVEZEQSFOOTLOR-LBPRGKRZSA-N 1 0 249.358 1.805 10 0 BDAERO Cc1ccc(C[NH3+])c(N2CCC(O)CC2)c1 ZINC000051578587 132361279 /nfs/dbraw/zinc/36/12/79/132361279.db2.gz PLQXVMWDEOMRMM-UHFFFAOYSA-N 1 0 220.316 1.415 10 0 BDAERO C[NH2+]Cc1ccc(N2CCO[C@@H]3CCC[C@@H]32)nc1 ZINC000051485705 132361309 /nfs/dbraw/zinc/36/13/09/132361309.db2.gz FIGKRRXOPMQZJA-QWHCGFSZSA-N 1 0 247.342 1.559 10 0 BDAERO O=C1CCc2cc(F)ccc2N1C[C@@H]1CC[NH2+]C1 ZINC000051890396 132361977 /nfs/dbraw/zinc/36/19/77/132361977.db2.gz NXNQLWXEDCQZGR-SNVBAGLBSA-N 1 0 248.301 1.714 10 0 BDAERO CC[C@@H](C[NH2+]C)N1CCN(c2ccccn2)CC1 ZINC000052418555 132362269 /nfs/dbraw/zinc/36/22/69/132362269.db2.gz JXAVQERMMYCZFB-ZDUSSCGKSA-N 1 0 248.374 1.202 10 0 BDAERO CCc1cc(N2CCC[C@@H]([NH2+]C)C2)ncn1 ZINC000053205019 132362917 /nfs/dbraw/zinc/36/29/17/132362917.db2.gz ICMFRGVLHUCVLM-LLVKDONJSA-N 1 0 220.320 1.227 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1c1cnccn1 ZINC000053698129 132363072 /nfs/dbraw/zinc/36/30/72/132363072.db2.gz JPCGQVBDFUNDSN-NSHDSACASA-N 1 0 220.320 1.445 10 0 BDAERO C[C@@H]1CN(c2ncccc2Cl)C[C@@H](C)[NH2+]1 ZINC000053711487 132363314 /nfs/dbraw/zinc/36/33/14/132363314.db2.gz JNDSEHKYIAOJCW-RKDXNWHRSA-N 1 0 225.723 1.922 10 0 BDAERO Cc1ccc(F)c(N2CC[NH2+][C@H](C)C2)c1 ZINC000054348216 132364069 /nfs/dbraw/zinc/36/40/69/132364069.db2.gz ZINBYQFRILFKLO-SNVBAGLBSA-N 1 0 208.280 1.932 10 0 BDAERO Cc1cccc2ccc(N3CC[NH2+]CC3)nc12 ZINC000058020058 132367686 /nfs/dbraw/zinc/36/76/86/132367686.db2.gz IJMBSHUIAAPNNP-UHFFFAOYSA-N 1 0 227.311 1.953 10 0 BDAERO Cc1cccnc1N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000083118996 132420766 /nfs/dbraw/zinc/42/07/66/132420766.db2.gz IQLLDCIRSXLFPS-QWRGUYRKSA-N 1 0 205.305 1.577 10 0 BDAERO COc1cc(OC)cc(N2CC[NH2+]C[C@@H]2C)c1 ZINC000083363745 132423518 /nfs/dbraw/zinc/42/35/18/132423518.db2.gz GJNFMLKJQWSQJN-JTQLQIEISA-N 1 0 236.315 1.502 10 0 BDAERO Cc1nccnc1N1CCCC[C@@H]1C[NH3+] ZINC000095069439 132428714 /nfs/dbraw/zinc/42/87/14/132428714.db2.gz VUJSDKPDYINQFQ-SNVBAGLBSA-N 1 0 206.293 1.103 10 0 BDAERO CC(C)CC[NH2+][C@H]1CCc2ncnn2C1 ZINC000236739011 166866263 /nfs/dbraw/zinc/86/62/63/166866263.db2.gz SBOLFNDJNCVQRK-JTQLQIEISA-N 1 0 208.309 1.229 10 0 BDAERO CSCCC[NH+]1CCC(n2cncn2)CC1 ZINC000157868125 133493664 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134343490 /nfs/dbraw/zinc/34/34/90/134343490.db2.gz JXIPYWAKPCIPIR-SRVKXCTJSA-N 1 0 240.347 1.141 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCc2ccc(F)cc21 ZINC000225411817 134353760 /nfs/dbraw/zinc/35/37/60/134353760.db2.gz GWSVZMYVHAEWOT-NSHDSACASA-N 1 0 236.290 1.842 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000227569873 134383180 /nfs/dbraw/zinc/38/31/80/134383180.db2.gz MFGWJQAEQYMTOP-GFCCVEGCSA-N 1 0 245.326 1.539 10 0 BDAERO O=C(C[N@H+]1CC[C@H](CCO)C1)Nc1ccccc1 ZINC000227570091 134383384 /nfs/dbraw/zinc/38/33/84/134383384.db2.gz SQLNZBCNSYCMJI-GFCCVEGCSA-N 1 0 248.326 1.329 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000228087304 134402642 /nfs/dbraw/zinc/40/26/42/134402642.db2.gz LYJKNQLYKCZZIG-JHJVBQTASA-N 1 0 245.363 1.321 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccsc1 ZINC000085535114 134404947 /nfs/dbraw/zinc/40/49/47/134404947.db2.gz BGINBWQLEQTFLN-BDAKNGLRSA-N 1 0 210.302 1.814 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@@]2(C)CCCO2)[C@@H]2CCO[C@@H]21 ZINC000228222676 134411161 /nfs/dbraw/zinc/41/11/61/134411161.db2.gz TZKUSFGCAPGQCD-KZVDOYCCSA-N 1 0 239.359 1.959 10 0 BDAERO Cc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)o1 ZINC000186507823 134421967 /nfs/dbraw/zinc/42/19/67/134421967.db2.gz VHDJNXNBVNUGIT-LLVKDONJSA-N 1 0 248.326 1.945 10 0 BDAERO CN(C(=O)/C=C/c1ccco1)[C@H]1CCC[NH2+]CC1 ZINC000231488851 134542425 /nfs/dbraw/zinc/54/24/25/134542425.db2.gz GQYNFRHBICOHQU-SYTKJHMZSA-N 1 0 248.326 1.893 10 0 BDAERO CSC1(C[NH2+]C[C@H]2CN(C)CCO2)CCC1 ZINC000235258093 134590317 /nfs/dbraw/zinc/59/03/17/134590317.db2.gz BMLBXLRBXACQOJ-NSHDSACASA-N 1 0 244.404 1.192 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@@H]1[NH3+] ZINC000235640083 134596691 /nfs/dbraw/zinc/59/66/91/134596691.db2.gz GVMDPQFCPVYQRS-CBAPKCEASA-N 1 0 239.706 1.154 10 0 BDAERO COCC[C@H](C)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000129967468 134615364 /nfs/dbraw/zinc/61/53/64/134615364.db2.gz WGEXFBNUFRIQEG-WCQYABFASA-N 1 0 234.343 1.801 10 0 BDAERO C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000158633790 134742695 /nfs/dbraw/zinc/74/26/95/134742695.db2.gz AGWJKMSNTBBOSS-AGIUHOORSA-N 1 0 237.347 1.819 10 0 BDAERO O=C(C1CCCCCC1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000053715504 134748724 /nfs/dbraw/zinc/74/87/24/134748724.db2.gz MYGFUMOMBVGKAN-QWHCGFSZSA-N 1 0 236.359 1.777 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC2(CCCC2)C1 ZINC000237948862 134847740 /nfs/dbraw/zinc/84/77/40/134847740.db2.gz KBVBEUFVLSUYMT-LLVKDONJSA-N 1 0 222.332 1.389 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000070643153 135000721 /nfs/dbraw/zinc/00/07/21/135000721.db2.gz UNMVVUVBYUCZTN-AXFHLTTASA-N 1 0 212.337 1.679 10 0 BDAERO CCN(CC)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248572409 135004690 /nfs/dbraw/zinc/00/46/90/135004690.db2.gz CWELKFDTXODZAO-DCAQKATOSA-N 1 0 225.336 1.117 10 0 BDAERO CC[C@@H]([NH2+]C[C@H](C)C(=O)OC)c1nccs1 ZINC000070732949 135010116 /nfs/dbraw/zinc/01/01/16/135010116.db2.gz ATQIGGZBCQHHPO-DTWKUNHWSA-N 1 0 242.344 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Cn1cc(CC[N@@H+]2CCC[C@@H]2CCCO)cn1 ZINC000077655393 135392168 /nfs/dbraw/zinc/39/21/68/135392168.db2.gz KJQMMELTIALLPL-CYBMUJFWSA-N 1 0 237.347 1.200 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)CC)C1 ZINC000164543342 135392357 /nfs/dbraw/zinc/39/23/57/135392357.db2.gz DUWPOPPWONVWLK-LLVKDONJSA-N 1 0 241.379 1.959 10 0 BDAERO CC[C@]1(C)CCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000335218663 135409914 /nfs/dbraw/zinc/40/99/14/135409914.db2.gz ZNLFKAROGRXLQB-WCQYABFASA-N 1 0 224.348 1.635 10 0 BDAERO C[C@@H](O)C[C@@H](C)[NH2+]CC1CCOCC1 ZINC000164606793 135426613 /nfs/dbraw/zinc/42/66/13/135426613.db2.gz DHZOEVKXQPJVIJ-NXEZZACHSA-N 1 0 201.310 1.162 10 0 BDAERO C[C@H](C[NH3+])CNc1ccc(S(C)(=O)=O)cc1 ZINC000083387582 135447159 /nfs/dbraw/zinc/44/71/59/135447159.db2.gz KZRVGPVUUWOKPY-SECBINFHSA-N 1 0 242.344 1.097 10 0 BDAERO CN(Cc1ccc(Cl)s1)C(=O)C1C[NH2+]C1 ZINC000084409832 135471835 /nfs/dbraw/zinc/47/18/35/135471835.db2.gz OHYKIZMRIBECCS-UHFFFAOYSA-N 1 0 244.747 1.579 10 0 BDAERO CC(C)C[C@H](C[NH3+])Nc1cn[nH]c(=O)c1Cl ZINC000087798533 135513329 /nfs/dbraw/zinc/51/33/29/135513329.db2.gz FAWCCAUZLOPPQC-SSDOTTSWSA-N 1 0 244.726 1.209 10 0 BDAERO CC1(C)CC[C@H](C[NH2+]CC2CCOCC2)O1 ZINC000166108664 136061134 /nfs/dbraw/zinc/06/11/34/136061134.db2.gz UMGFKJMBLDQJNE-GFCCVEGCSA-N 1 0 227.348 1.960 10 0 BDAERO CC[C@H]([NH2+][C@H](C)C[C@@H]1COCCN1)C(C)C ZINC000166113524 136070920 /nfs/dbraw/zinc/07/09/20/136070920.db2.gz RVVRUBUBZUECKY-UPJWGTAASA-N 1 0 228.380 1.778 10 0 BDAERO C[C@H](CC1CC1)[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000166125326 136072564 /nfs/dbraw/zinc/07/25/64/136072564.db2.gz GTPVCRONFAEWFP-NQBHXWOUSA-N 1 0 226.364 1.532 10 0 BDAERO O=S1(=O)CCC[C@@H](CN2CCC[C@@H]2CF)C1 ZINC000335367573 136082119 /nfs/dbraw/zinc/08/21/19/136082119.db2.gz FIQUBLOGLXLBLZ-WDEREUQCSA-N 1 0 249.351 1.245 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)Cc1ccsc1 ZINC000049185198 322846644 /nfs/dbraw/zinc/84/66/44/322846644.db2.gz OXCRGWQYHYGRGL-ONGXEEELSA-N 1 0 240.372 1.923 10 0 BDAERO Cc1nc(CN(C)C[C@H]2CC[N@H+](C)C2)[nH]c1C ZINC000628243144 397731843 /nfs/dbraw/zinc/73/18/43/397731843.db2.gz FKOOXNMZGHKQFQ-LBPRGKRZSA-N 1 0 236.363 1.410 10 0 BDAERO C1CCC(c2noc([C@@H]3C[NH2+]CCOC3)n2)C1 ZINC000644511795 397836857 /nfs/dbraw/zinc/83/68/57/397836857.db2.gz XHFXCAWWJFVGPS-SNVBAGLBSA-N 1 0 237.303 1.431 10 0 BDAERO [NH3+][C@@H](c1cncs1)[C@@H]1CSCCO1 ZINC000575463795 397946851 /nfs/dbraw/zinc/94/68/51/397946851.db2.gz DOIOSMCHPRADQS-POYBYMJQSA-N 1 0 216.331 1.275 10 0 BDAERO [NH2+]=C1NC[C@H](c2cn[nH]c2)N1Cc1ccccc1 ZINC000575466622 397950162 /nfs/dbraw/zinc/95/01/62/397950162.db2.gz MTMXNQHMOQRBNG-GFCCVEGCSA-N 1 0 241.298 1.491 10 0 BDAERO CCC[C@@H]1COC[C@]12[NH2+]CCCS2 ZINC000575479712 397959354 /nfs/dbraw/zinc/95/93/54/397959354.db2.gz FJHGVQBJKPHHNF-NXEZZACHSA-N 1 0 201.335 1.856 10 0 BDAERO CC(C)c1nccc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000110535006 397902732 /nfs/dbraw/zinc/90/27/32/397902732.db2.gz OBCFGWPKCCGYLW-NSHDSACASA-N 1 0 234.347 1.740 10 0 BDAERO CC[C@H]1C[N@H+](CC2CC2)CCN1C[C@@H](C)O ZINC000156162679 397922592 /nfs/dbraw/zinc/92/25/92/397922592.db2.gz QKUUUHUOAIFXBF-YPMHNXCESA-N 1 0 226.364 1.173 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2ncco2)CC1 ZINC000616684033 397925686 /nfs/dbraw/zinc/92/56/86/397925686.db2.gz AJMYZEMBQAXQAP-JTQLQIEISA-N 1 0 210.277 1.846 10 0 BDAERO Cc1ncsc1[C@]1([NH3+])CSC[C@@H]1C ZINC000575467386 397992358 /nfs/dbraw/zinc/99/23/58/397992358.db2.gz QQMIMSMRALNLDR-RCOVLWMOSA-N 1 0 214.359 1.988 10 0 BDAERO COCC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000414776896 398035394 /nfs/dbraw/zinc/03/53/94/398035394.db2.gz CPCJCSPVISCSCD-VHSXEESVSA-N 1 0 200.326 1.081 10 0 BDAERO C[NH2+][C@H]1CO[C@]2(C1)CCCSCC2 ZINC000575518838 397975560 /nfs/dbraw/zinc/97/55/60/397975560.db2.gz WPIOJFQTHATFFP-NXEZZACHSA-N 1 0 201.335 1.651 10 0 BDAERO CC(C)([NH3+])[C@H](O)c1cccnc1Br ZINC000575518979 397975864 /nfs/dbraw/zinc/97/58/64/397975864.db2.gz XNKVBKDJINJHDQ-SSDOTTSWSA-N 1 0 245.120 1.615 10 0 BDAERO COCc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)o1 ZINC000382729655 397976773 /nfs/dbraw/zinc/97/67/73/397976773.db2.gz KACBCAHMTAVOGO-SKDRFNHKSA-N 1 0 224.304 1.348 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(O)c(Cl)c1 ZINC000043476859 397980692 /nfs/dbraw/zinc/98/06/92/397980692.db2.gz RMPNEFMRZGEJRF-PSASIEDQSA-N 1 0 215.680 1.816 10 0 BDAERO C[C@@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(F)(F)F)C2 ZINC000575582259 397984003 /nfs/dbraw/zinc/98/40/03/397984003.db2.gz DFGMNSKDLXYCKC-IUCAKERBSA-N 1 0 236.237 1.007 10 0 BDAERO C/C(=C\Cl)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000231993876 397988730 /nfs/dbraw/zinc/98/87/30/397988730.db2.gz JBDGQWQCQWSVKV-VCQGXKKCSA-N 1 0 202.729 1.798 10 0 BDAERO CC1CC(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000379436480 398092903 /nfs/dbraw/zinc/09/29/03/398092903.db2.gz HNBOKEZKKCTVGJ-UHFFFAOYSA-N 1 0 208.305 1.068 10 0 BDAERO Cc1noc(C)c1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000334747700 398065749 /nfs/dbraw/zinc/06/57/49/398065749.db2.gz VMMSMKNOMGGTCL-LDYMZIIASA-N 1 0 224.304 1.494 10 0 BDAERO CC[N@@H+]1CC[C@H](NCc2ncnn2C(C)C)C1 ZINC000389440474 398093171 /nfs/dbraw/zinc/09/31/71/398093171.db2.gz NQADFFXEOLFRPU-NSHDSACASA-N 1 0 237.351 1.043 10 0 BDAERO CC[C@@H]1CS[C@H]([C@H]2CCCOC2)[NH2+]1 ZINC000251351171 398078496 /nfs/dbraw/zinc/07/84/96/398078496.db2.gz QQDGFCHAMPGROR-IVZWLZJFSA-N 1 0 201.335 1.854 10 0 BDAERO C[N@@H+]1C[C@H]2CC[C@@H]1C[C@@]2(O)c1ccccc1 ZINC000584624839 398079512 /nfs/dbraw/zinc/07/95/12/398079512.db2.gz BGIHHGFRIVKNQW-MGPQQGTHSA-N 1 0 217.312 1.988 10 0 BDAERO Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)o1 ZINC000384374785 398083711 /nfs/dbraw/zinc/08/37/11/398083711.db2.gz JOQURLAUOGHHRZ-CMPLNLGQSA-N 1 0 236.315 1.592 10 0 BDAERO Nc1cc(-c2ccsc2)nn1C[C@@H]1CCC[NH2+]1 ZINC000409437453 398088661 /nfs/dbraw/zinc/08/86/61/398088661.db2.gz GRKNHXXATIVKJB-JTQLQIEISA-N 1 0 248.355 1.946 10 0 BDAERO CC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000061679338 171243375 /nfs/dbraw/zinc/24/33/75/171243375.db2.gz HSYVNHPTQYWYEA-HBNTYKKESA-N 1 0 212.337 1.761 10 0 BDAERO CC(C)NC(=O)CCN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000104157705 167041188 /nfs/dbraw/zinc/04/11/88/167041188.db2.gz XRTLYMYZMJMFEA-VXGBXAGGSA-N 1 0 241.379 1.103 10 0 BDAERO CC(C)NC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000037916202 167070120 /nfs/dbraw/zinc/07/01/20/167070120.db2.gz CSPYIFIKVKTKIN-NWDGAFQWSA-N 1 0 239.363 1.568 10 0 BDAERO Cc1nc(C)c(C)c(NC[C@@H](C)C[NH3+])n1 ZINC000257646949 322873267 /nfs/dbraw/zinc/87/32/67/322873267.db2.gz INBMIKKPXCSKSC-ZETCQYMHSA-N 1 0 208.309 1.409 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000037633294 167103063 /nfs/dbraw/zinc/10/30/63/167103063.db2.gz FAHKFOKVRDWNOG-NEPJUHHUSA-N 1 0 242.363 1.448 10 0 BDAERO CC(C)[NH2+]CCN(C)Cc1ccccn1 ZINC000037477317 167104025 /nfs/dbraw/zinc/10/40/25/167104025.db2.gz IBJIALDFIKBSRH-UHFFFAOYSA-N 1 0 207.321 1.511 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000309641634 167105102 /nfs/dbraw/zinc/10/51/02/167105102.db2.gz UTBBOGKLZNWTOU-CHWSQXEVSA-N 1 0 226.364 1.343 10 0 BDAERO CC(C)(CN[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000258815547 322876544 /nfs/dbraw/zinc/87/65/44/322876544.db2.gz CRWIFTGZURQQOI-LBPRGKRZSA-N 1 0 219.332 1.311 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000053694382 167114499 /nfs/dbraw/zinc/11/44/99/167114499.db2.gz JBJWSSOECUWBQD-LLVKDONJSA-N 1 0 220.320 1.443 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1ncnc2c1CCCC2 ZINC000094872446 487560827 /nfs/dbraw/zinc/56/08/27/487560827.db2.gz OOAHGEVGUVJWBQ-NSHDSACASA-N 1 0 246.358 1.673 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)C2CCCC2)C1 ZINC000149659782 487561202 /nfs/dbraw/zinc/56/12/02/487561202.db2.gz SNVUKAZUVZHGRU-MVWJERBFSA-N 1 0 240.347 1.058 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227879691 487561826 /nfs/dbraw/zinc/56/18/26/487561826.db2.gz FKLIUWFRGJHQDW-DVVUODLYSA-N 1 0 210.321 1.371 10 0 BDAERO c1nc2c(c(NCC[C@H]3CC[NH2+]C3)n1)CCCC2 ZINC000094872505 487562041 /nfs/dbraw/zinc/56/20/41/487562041.db2.gz UWAKMVYPFYCXIW-LLVKDONJSA-N 1 0 246.358 1.767 10 0 BDAERO c1nc2c(c(N[C@H]3CCC[NH2+]C3)n1)CCCC2 ZINC000094872501 487561974 /nfs/dbraw/zinc/56/19/74/487561974.db2.gz QPDXUVZNNBVCRD-JTQLQIEISA-N 1 0 232.331 1.519 10 0 BDAERO [NH3+][C@H](CNc1ncnc2c1CCCC2)C1CC1 ZINC000094873146 487562230 /nfs/dbraw/zinc/56/22/30/487562230.db2.gz YKJWUVXCONHCNO-LLVKDONJSA-N 1 0 232.331 1.505 10 0 BDAERO c1nc2c(c(NCC[C@@H]3CC[NH2+]C3)n1)CCCC2 ZINC000094872504 487562203 /nfs/dbraw/zinc/56/22/03/487562203.db2.gz UWAKMVYPFYCXIW-NSHDSACASA-N 1 0 246.358 1.767 10 0 BDAERO C[C@@H](CCC[NH3+])Nc1ncnc2c1CCCC2 ZINC000094948048 487565059 /nfs/dbraw/zinc/56/50/59/487565059.db2.gz VZDBRNVKTGCTPI-JTQLQIEISA-N 1 0 234.347 1.895 10 0 BDAERO C[C@@H](NC(=O)CC1([NH3+])CCC1)C1CCCC1 ZINC000086853655 487567929 /nfs/dbraw/zinc/56/79/29/487567929.db2.gz AVJUFQMPZZYLRS-SNVBAGLBSA-N 1 0 224.348 1.953 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000324295915 487570405 /nfs/dbraw/zinc/57/04/05/487570405.db2.gz BQCREZQTJWRKOY-CBAPKCEASA-N 1 0 243.269 1.296 10 0 BDAERO CC[C@H](C)[N@H+](CCO)C[C@H]1CCC[C@H](O)C1 ZINC000393801578 487584069 /nfs/dbraw/zinc/58/40/69/487584069.db2.gz SQQOLMJQXUUMAC-AVGNSLFASA-N 1 0 229.364 1.630 10 0 BDAERO CCOc1cc(N[C@H](C)C[C@H](C)[NH3+])nc(C)n1 ZINC000228271906 487604328 /nfs/dbraw/zinc/60/43/28/487604328.db2.gz IHZVKVKJBRQMBN-DTWKUNHWSA-N 1 0 238.335 1.721 10 0 BDAERO CCOc1cc(N[C@@H](C)C[C@@H](C)[NH3+])nc(C)n1 ZINC000228271874 487604333 /nfs/dbraw/zinc/60/43/33/487604333.db2.gz IHZVKVKJBRQMBN-BDAKNGLRSA-N 1 0 238.335 1.721 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000662423860 409709918 /nfs/dbraw/zinc/70/99/18/409709918.db2.gz MFKBKTOFBHFYBE-KXNHARMFSA-N 1 0 222.332 1.372 10 0 BDAERO C[C@H](NC(=O)C1([NH3+])CCCC1)C1CCCC1 ZINC000069805787 409644953 /nfs/dbraw/zinc/64/49/53/409644953.db2.gz MGRLLLQKGJPPFJ-JTQLQIEISA-N 1 0 224.348 1.953 10 0 BDAERO CC(C)Oc1cncc(NC[C@@H](C)[NH3+])n1 ZINC000070580168 409800092 /nfs/dbraw/zinc/80/00/92/409800092.db2.gz UIAQXQAMBMLWGC-MRVPVSSYSA-N 1 0 210.281 1.023 10 0 BDAERO CCC1(O)CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000653174438 410150486 /nfs/dbraw/zinc/15/04/86/410150486.db2.gz FNUHIUORPKHELZ-LLVKDONJSA-N 1 0 242.363 1.123 10 0 BDAERO CCCc1nccnc1NCC1CC[NH2+]CC1 ZINC000663270676 410090981 /nfs/dbraw/zinc/09/09/81/410090981.db2.gz NOSUYOCRFKXEBC-UHFFFAOYSA-N 1 0 234.347 1.841 10 0 BDAERO CCCc1nccnc1NC[C@@H]([NH3+])C1CC1 ZINC000663271864 410091219 /nfs/dbraw/zinc/09/12/19/410091219.db2.gz HCCIDDBLWMKQQJ-SNVBAGLBSA-N 1 0 220.320 1.578 10 0 BDAERO CC(C)[C@H]([NH3+])CCNc1ncnc2c1cnn2C ZINC000663276029 410092247 /nfs/dbraw/zinc/09/22/47/410092247.db2.gz UTRDKRIHQVIAQI-SNVBAGLBSA-N 1 0 248.334 1.149 10 0 BDAERO COC[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000655441266 410263387 /nfs/dbraw/zinc/26/33/87/410263387.db2.gz GKNWDGNFCSLXIU-NEPJUHHUSA-N 1 0 240.347 1.014 10 0 BDAERO COc1cccnc1N1CCC(CC[NH3+])CC1 ZINC000128391201 410268559 /nfs/dbraw/zinc/26/85/59/410268559.db2.gz GIWFYPOXSMKAAQ-UHFFFAOYSA-N 1 0 235.331 1.655 10 0 BDAERO COc1cccnc1N(C)CC[C@H]([NH3+])C(C)C ZINC000128509526 410360361 /nfs/dbraw/zinc/36/03/61/410360361.db2.gz AJXOIDBFPKCDLL-NSHDSACASA-N 1 0 237.347 1.900 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000128917499 410365256 /nfs/dbraw/zinc/36/52/56/410365256.db2.gz LFKFOVDUMGCVBJ-MXWKQRLJSA-N 1 0 228.336 1.044 10 0 BDAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052762286 169748699 /nfs/dbraw/zinc/74/86/99/169748699.db2.gz MYVMZAXXGCOUFJ-LBPRGKRZSA-N 1 0 242.363 1.092 10 0 BDAERO Cc1cccc(Cn2cc(C(C)(C)[NH3+])nn2)c1 ZINC000070118567 410666183 /nfs/dbraw/zinc/66/61/83/410666183.db2.gz KOPPLRVWEVMIJP-UHFFFAOYSA-N 1 0 230.315 1.829 10 0 BDAERO CC(C)(C)CC(C)(C)N1CC[C@@H]([NH3+])C1=O ZINC000043435711 166552517 /nfs/dbraw/zinc/55/25/17/166552517.db2.gz UOWDZUUIDHNRPC-SECBINFHSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C(C)(C)C ZINC000133933728 410617577 /nfs/dbraw/zinc/61/75/77/410617577.db2.gz PSNSQDXLPRYFNV-BXKDBHETSA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)(C)NC(=O)CC1CCC([NH3+])CC1 ZINC000055121937 166610744 /nfs/dbraw/zinc/61/07/44/166610744.db2.gz VOMPLLKEIJIEHH-UHFFFAOYSA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)(C)NC(=O)CC[C@H](C[NH3+])c1ccncc1 ZINC000076635870 166612370 /nfs/dbraw/zinc/61/23/70/166612370.db2.gz OLCYMTUFUBUOCO-GFCCVEGCSA-N 1 0 249.358 1.819 10 0 BDAERO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019487752 166623243 /nfs/dbraw/zinc/62/32/43/166623243.db2.gz HBEFDLUHDKKWJP-DCAQKATOSA-N 1 0 224.348 1.822 10 0 BDAERO CC(C)(C)[NH2+]C[C@@]1(C)CCS(=O)(=O)C1 ZINC000054654103 166633841 /nfs/dbraw/zinc/63/38/41/166633841.db2.gz KMQQIDPERGSADJ-SNVBAGLBSA-N 1 0 219.350 1.199 10 0 BDAERO CC(C)(C)OC(=O)NC/C(=C/F)C[NH3+] ZINC000095748790 166659949 /nfs/dbraw/zinc/65/99/49/166659949.db2.gz RKWCCNNGZZWJDI-QPJJXVBHSA-N 1 0 204.245 1.323 10 0 BDAERO CC(C)(C)OC[C@@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000038097068 166685298 /nfs/dbraw/zinc/68/52/98/166685298.db2.gz ZNGNAZGOAMOBGP-RYUDHWBXSA-N 1 0 245.363 1.321 10 0 BDAERO CCC[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000393503183 410725055 /nfs/dbraw/zinc/72/50/55/410725055.db2.gz VXWWSAOEHIUTDW-OLZOCXBDSA-N 1 0 226.364 1.582 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)C(C)(C)C ZINC000393613249 410750813 /nfs/dbraw/zinc/75/08/13/410750813.db2.gz RXXPNTJWVURPRF-VHSXEESVSA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)CCOc1cc(C(N)=[NH2+])ccn1 ZINC000019518582 166882147 /nfs/dbraw/zinc/88/21/47/166882147.db2.gz GJZWPPXSHBALIL-UHFFFAOYSA-N 1 0 207.277 1.791 10 0 BDAERO C[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C1CC1 ZINC000163695122 487619018 /nfs/dbraw/zinc/61/90/18/487619018.db2.gz ZCXJPNBRHMAMII-MFKMUULPSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)c1cc(NCCC2(C[NH3+])CC2)ncn1 ZINC000395950820 410869288 /nfs/dbraw/zinc/86/92/88/410869288.db2.gz OKHDFZIZSQNXIS-UHFFFAOYSA-N 1 0 234.347 1.563 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(C)ccc2C)C1 ZINC000040630449 410883305 /nfs/dbraw/zinc/88/33/05/410883305.db2.gz XVZBMIZQGAPHRC-DGCLKSJQSA-N 1 0 248.326 1.619 10 0 BDAERO CC(C)CNC(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055122282 166987583 /nfs/dbraw/zinc/98/75/83/166987583.db2.gz DVAYRTDUXGFISK-MNOVXSKESA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)C[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000033465980 167006628 /nfs/dbraw/zinc/00/66/28/167006628.db2.gz XVKFKVGULGEORR-NSHDSACASA-N 1 0 237.299 1.694 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000309086956 167007265 /nfs/dbraw/zinc/00/72/65/167007265.db2.gz YWVIIMRSXXHMCX-LLVKDONJSA-N 1 0 207.321 1.691 10 0 BDAERO CC(C)N1CCc2nc([C@H](C)[NH3+])sc2C1 ZINC000041059197 167027403 /nfs/dbraw/zinc/02/74/03/167027403.db2.gz DUACEZFMXGEBNE-QMMMGPOBSA-N 1 0 225.361 1.929 10 0 BDAERO CC(C)NC(=O)CCN1[C@H](C)CCC[C@H]1C[NH3+] ZINC000104157715 167040993 /nfs/dbraw/zinc/04/09/93/167040993.db2.gz XRTLYMYZMJMFEA-NEPJUHHUSA-N 1 0 241.379 1.103 10 0 BDAERO CC(C)NC(=O)CN(C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042609846 167048386 /nfs/dbraw/zinc/04/83/86/167048386.db2.gz IMCZRAWVXSVYJW-RYUDHWBXSA-N 1 0 241.379 1.103 10 0 BDAERO CC(C)NC(=O)C[N@H+](C)[C@H](C)c1cccc(N)c1 ZINC000042601219 167049803 /nfs/dbraw/zinc/04/98/03/167049803.db2.gz ZMTAQDZRQCETKU-LLVKDONJSA-N 1 0 249.358 1.786 10 0 BDAERO CC(C)NC(=O)[C@@H](CCC[NH3+])c1cccnc1 ZINC000076618246 167082758 /nfs/dbraw/zinc/08/27/58/167082758.db2.gz NPYZTWLSBHQZSJ-LBPRGKRZSA-N 1 0 235.331 1.429 10 0 BDAERO CC(C)NC1(c2nccs2)CC[NH2+]CC1 ZINC000041061572 167095122 /nfs/dbraw/zinc/09/51/22/167095122.db2.gz NEJINBIZUKSADN-UHFFFAOYSA-N 1 0 225.361 1.720 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N1CCOC(C)(C)C1 ZINC000037633588 167099849 /nfs/dbraw/zinc/09/98/49/167099849.db2.gz AISCVANHTOHNEC-UHFFFAOYSA-N 1 0 242.363 1.402 10 0 BDAERO CC(C)[NH2+]CCC(=O)Nc1cccc2n[nH]cc21 ZINC000037769602 167100835 /nfs/dbraw/zinc/10/08/35/167100835.db2.gz WBQCQBVYKGQPLV-UHFFFAOYSA-N 1 0 246.314 1.890 10 0 BDAERO CC(C)[NH2+]CCN1CCOC2(CCCC2)C1 ZINC000309333030 167104504 /nfs/dbraw/zinc/10/45/04/167104504.db2.gz IHLOKFXGRBCHDS-UHFFFAOYSA-N 1 0 226.364 1.629 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN1Cc1ncccn1 ZINC000054460333 167113297 /nfs/dbraw/zinc/11/32/97/167113297.db2.gz KVHSFTGZQKYASJ-LBPRGKRZSA-N 1 0 234.347 1.439 10 0 BDAERO CC(C)[NH2+]C[C@H](O)C1=COc2ccccc2O1 ZINC000028092941 167113975 /nfs/dbraw/zinc/11/39/75/167113975.db2.gz MVFCPJQIUSUSJO-JTQLQIEISA-N 1 0 235.283 1.658 10 0 BDAERO CC(C)[NH2+]C[C@H](O)Cn1ncc2ccccc21 ZINC000050525666 167114592 /nfs/dbraw/zinc/11/45/92/167114592.db2.gz PICJQRPLLYJFGJ-LBPRGKRZSA-N 1 0 233.315 1.395 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCCN1C[C@@H]1CCOC1 ZINC000053651818 167115496 /nfs/dbraw/zinc/11/54/96/167115496.db2.gz BDDLEMFMFFKESN-UONOGXRCSA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)[NH2+]C[C@H](O)Cc1ccc(F)c(F)c1 ZINC000071533950 167115636 /nfs/dbraw/zinc/11/56/36/167115636.db2.gz GKRLJOSYBRHLGH-SNVBAGLBSA-N 1 0 229.270 1.866 10 0 BDAERO CC(C)[NH2+]Cc1cc(-c2ccncc2)n[nH]1 ZINC000050479177 167116924 /nfs/dbraw/zinc/11/69/24/167116924.db2.gz PUSZKSUZBUNGMK-UHFFFAOYSA-N 1 0 216.288 1.970 10 0 BDAERO CC(C)[NH2+]Cc1cccc(-n2ccnc2)n1 ZINC000051489848 167118677 /nfs/dbraw/zinc/11/86/77/167118677.db2.gz RJMJZWJBQVDJOT-UHFFFAOYSA-N 1 0 216.288 1.765 10 0 BDAERO CC(C)[NH2+]Cc1cnn([C@@H]2CCC[C@H]2O)c1 ZINC000054599529 167121305 /nfs/dbraw/zinc/12/13/05/167121305.db2.gz MPRQQTSSFZBIOR-VXGBXAGGSA-N 1 0 223.320 1.467 10 0 BDAERO CC(C)[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC000038115847 167133009 /nfs/dbraw/zinc/13/30/09/167133009.db2.gz ZSMDPDOUDMQZQX-NSHDSACASA-N 1 0 215.243 1.996 10 0 BDAERO CC(C)[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000020312217 167137854 /nfs/dbraw/zinc/13/78/54/167137854.db2.gz XEHLOTQHXOHLSD-LLVKDONJSA-N 1 0 212.337 1.776 10 0 BDAERO CC(C)OC(=O)NC1CCC([NH3+])CC1 ZINC000044239772 167164809 /nfs/dbraw/zinc/16/48/09/167164809.db2.gz IJBUDGOJZCFVLZ-UHFFFAOYSA-N 1 0 200.282 1.391 10 0 BDAERO CC(C)OC1(C[NH3+])Cc2ccccc2C1 ZINC000082639883 167173684 /nfs/dbraw/zinc/17/36/84/167173684.db2.gz SJKXVWVDYQAECI-UHFFFAOYSA-N 1 0 205.301 1.908 10 0 BDAERO CC(C)OCCCN1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886689 167216112 /nfs/dbraw/zinc/21/61/12/167216112.db2.gz UPTKTKPDFABHJM-LBPRGKRZSA-N 1 0 244.379 1.240 10 0 BDAERO CC(C)OCCN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000224842072 167235828 /nfs/dbraw/zinc/23/58/28/167235828.db2.gz UCQAQJWVMDLABR-NWDGAFQWSA-N 1 0 214.353 1.471 10 0 BDAERO CC(C)OCCN1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860440 167237844 /nfs/dbraw/zinc/23/78/44/167237844.db2.gz QSIZWBAGGXGPKR-HNNXBMFYSA-N 1 0 248.370 1.797 10 0 BDAERO CC(C)OCCOc1cc(C(N)=[NH2+])ccn1 ZINC000019437286 167248811 /nfs/dbraw/zinc/24/88/11/167248811.db2.gz DLLMNPDVRCABGL-UHFFFAOYSA-N 1 0 223.276 1.169 10 0 BDAERO CC(C)Oc1cc(C[NH3+])c(OC2CC2)cn1 ZINC000095737937 167283817 /nfs/dbraw/zinc/28/38/17/167283817.db2.gz MLJSVTBBCILHOX-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)Oc1ccc(N2CC[C@@H]([NH3+])C2=O)cc1 ZINC000049647980 167295699 /nfs/dbraw/zinc/29/56/99/167295699.db2.gz HBSQOMGUAYTBJZ-GFCCVEGCSA-N 1 0 234.299 1.538 10 0 BDAERO CC(C)Oc1ccc([C@@]2(O)CC[NH2+]C2)cc1 ZINC000071523277 167300518 /nfs/dbraw/zinc/30/05/18/167300518.db2.gz SFIFLNVFQKVFEK-CYBMUJFWSA-N 1 0 221.300 1.655 10 0 BDAERO CC(C)S[C@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043238409 167335912 /nfs/dbraw/zinc/33/59/12/167335912.db2.gz JDZWJZWCTKDQQA-SCZZXKLOSA-N 1 0 213.350 1.950 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000137383609 167356458 /nfs/dbraw/zinc/35/64/58/167356458.db2.gz JFFBXXNXWXECRW-GXSJLCMTSA-N 1 0 212.337 1.522 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166164 167364760 /nfs/dbraw/zinc/36/47/60/167364760.db2.gz JLARGBPXLGDCOC-MNOVXSKESA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105075819 167374612 /nfs/dbraw/zinc/37/46/12/167374612.db2.gz DWHKJCDPOCSNMP-NEPJUHHUSA-N 1 0 241.379 1.767 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105075849 167377198 /nfs/dbraw/zinc/37/71/98/167377198.db2.gz HDZSUCHWSSXMBC-WDEREUQCSA-N 1 0 241.379 1.813 10 0 BDAERO CC[NH+](CC)C[C@H](O)c1ccc(N)cc1 ZINC000019731415 169789838 /nfs/dbraw/zinc/78/98/38/169789838.db2.gz SSBPRKWRICICHE-LBPRGKRZSA-N 1 0 208.305 1.644 10 0 BDAERO CC(C)[C@@H](C[NH2+]C1CC1)N1CCOC(C)(C)C1 ZINC000052481712 167398558 /nfs/dbraw/zinc/39/85/58/167398558.db2.gz SUNOCNAZUZUXTK-CYBMUJFWSA-N 1 0 240.391 1.874 10 0 BDAERO CC(C)[C@@H]([NH3+])[C@@H](O)c1ccc(N(C)C)cc1 ZINC000071524574 167422720 /nfs/dbraw/zinc/42/27/20/167422720.db2.gz VNPAELAGPUXMMJ-OLZOCXBDSA-N 1 0 222.332 1.769 10 0 BDAERO CN1CCC[C@@H]1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398795012 410990574 /nfs/dbraw/zinc/99/05/74/410990574.db2.gz PAEXZCWWPNESBP-REWJHTLYSA-N 1 0 238.375 1.173 10 0 BDAERO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)COC ZINC000103520315 169795358 /nfs/dbraw/zinc/79/53/58/169795358.db2.gz UAPWFZRSUUPXAO-QWRGUYRKSA-N 1 0 230.352 1.115 10 0 BDAERO CC(C)[C@H](C(=O)NCC[C@@H]1CCCO1)[C@H](C)[NH3+] ZINC000399489817 411045351 /nfs/dbraw/zinc/04/53/51/411045351.db2.gz GKJHXMBLHUNWQR-SRVKXCTJSA-N 1 0 242.363 1.291 10 0 BDAERO CO[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)CC[C@H]1C ZINC000300017493 411076975 /nfs/dbraw/zinc/07/69/75/411076975.db2.gz SPKIEOXKIDFBQS-GRYCIOLGSA-N 1 0 242.363 1.243 10 0 BDAERO C[C@@H]1CN(C[C@H]2CCOc3ccccc32)C[C@@H]1[NH3+] ZINC000300082063 411081745 /nfs/dbraw/zinc/08/17/45/411081745.db2.gz CQRYWLXCLVQZSH-BZPMIXESSA-N 1 0 246.354 1.832 10 0 BDAERO C[C@H](Cc1ccccn1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000655499391 411028768 /nfs/dbraw/zinc/02/87/68/411028768.db2.gz KMFNWSNAHNKBEQ-WOPDTQHZSA-N 1 0 247.342 1.256 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccccn1 ZINC000655499764 411035059 /nfs/dbraw/zinc/03/50/59/411035059.db2.gz PXZSLMPKWBEMGC-AAEUAGOBSA-N 1 0 249.358 1.502 10 0 BDAERO CC(C)c1ccccc1OCC[C@@H]([NH3+])CO ZINC000071531328 167643335 /nfs/dbraw/zinc/64/33/35/167643335.db2.gz LLMDPALQHANIIG-LLVKDONJSA-N 1 0 223.316 1.899 10 0 BDAERO CCC[C@@H](N)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000309515105 411157801 /nfs/dbraw/zinc/15/78/01/411157801.db2.gz YLAUFDHSQWEDKO-HTQZYQBOSA-N 1 0 210.281 1.294 10 0 BDAERO CC1(C)C[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000300358754 411118362 /nfs/dbraw/zinc/11/83/62/411118362.db2.gz LBGRVSHYVNSZQR-AXFHLTTASA-N 1 0 224.348 1.524 10 0 BDAERO CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000300579811 411124062 /nfs/dbraw/zinc/12/40/62/411124062.db2.gz AYHOUPALTPYGDH-NTZNESFSSA-N 1 0 239.315 1.545 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCNC(=O)C2)o1 ZINC000111826016 411181640 /nfs/dbraw/zinc/18/16/40/411181640.db2.gz NRWGYPYWFOELRD-QWRGUYRKSA-N 1 0 236.315 1.907 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)c1cncs1 ZINC000658354348 411243964 /nfs/dbraw/zinc/24/39/64/411243964.db2.gz CDUNSXYLCLHRPU-UEJVZZJDSA-N 1 0 212.318 1.565 10 0 BDAERO Cc1n[nH]c(C)c1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128925109 411189369 /nfs/dbraw/zinc/18/93/69/411189369.db2.gz NHAHWWJDVCYNBH-SECBINFHSA-N 1 0 224.308 1.338 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000658003866 411195086 /nfs/dbraw/zinc/19/50/86/411195086.db2.gz VGKHQQVQACCJSS-GARJFASQSA-N 1 0 242.388 1.529 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCCSCC1 ZINC000128999899 411196661 /nfs/dbraw/zinc/19/66/61/411196661.db2.gz FIAWQLHQXALVCE-SNVBAGLBSA-N 1 0 230.377 1.325 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ccsc1 ZINC000129006898 411198458 /nfs/dbraw/zinc/19/84/58/411198458.db2.gz LVIYMPKNJMTHIG-NSHDSACASA-N 1 0 240.372 1.780 10 0 BDAERO C[C@H](c1ccccc1)n1cc(C[NH3+])nn1 ZINC000062295298 411199284 /nfs/dbraw/zinc/19/92/84/411199284.db2.gz JYLXTMQBSZQWGO-SECBINFHSA-N 1 0 202.261 1.346 10 0 BDAERO CC(C)n1cccc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000052093223 167770949 /nfs/dbraw/zinc/77/09/49/167770949.db2.gz ZSYUORHLAZKQAT-SNVBAGLBSA-N 1 0 221.304 1.161 10 0 BDAERO CC(C)NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000214546228 411245161 /nfs/dbraw/zinc/24/51/61/411245161.db2.gz YORMBQRUSBIMQI-JTQLQIEISA-N 1 0 213.325 1.178 10 0 BDAERO CC(C)n1cnnc1C1CCC([NH3+])CC1 ZINC000054498108 167782902 /nfs/dbraw/zinc/78/29/02/167782902.db2.gz MZYGDCVVVSVJFT-UHFFFAOYSA-N 1 0 208.309 1.844 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C)CS1 ZINC000655764077 411224555 /nfs/dbraw/zinc/22/45/55/411224555.db2.gz VJHLSOKWVPFJTP-VPOLOUISSA-N 1 0 242.388 1.527 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1ccc2[nH]ccc2c1 ZINC000310286871 411232629 /nfs/dbraw/zinc/23/26/29/411232629.db2.gz HBYHMMFFKSLGQQ-VIFPVBQESA-N 1 0 231.299 1.506 10 0 BDAERO CC1CC(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)C1 ZINC000656362649 411234068 /nfs/dbraw/zinc/23/40/68/411234068.db2.gz LGVTWCKDZVGHQH-VGRIYTJTSA-N 1 0 210.321 1.371 10 0 BDAERO CCC(C)(C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128842785 411234125 /nfs/dbraw/zinc/23/41/25/411234125.db2.gz QVIBQMUVKXNPID-VIFPVBQESA-N 1 0 200.326 1.665 10 0 BDAERO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000660112893 411235919 /nfs/dbraw/zinc/23/59/19/411235919.db2.gz OROPZMGSZQPSCO-XQQFMLRXSA-N 1 0 241.375 1.773 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)CC1(O)CCCC1 ZINC000310466561 411237766 /nfs/dbraw/zinc/23/77/66/411237766.db2.gz ZSOXOZIXPMBXRM-CHWSQXEVSA-N 1 0 241.375 1.774 10 0 BDAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1c[nH]nc1N ZINC000616599857 411240349 /nfs/dbraw/zinc/24/03/49/411240349.db2.gz YABXTXDIVGGKJF-SNVBAGLBSA-N 1 0 238.335 1.554 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000656702116 411327373 /nfs/dbraw/zinc/32/73/73/411327373.db2.gz LPWBTDKHPDJALL-NEPJUHHUSA-N 1 0 242.407 1.856 10 0 BDAERO Nc1cc([C@@H]2CCCN(CC[NH3+])CC2)ccn1 ZINC000616600449 411287809 /nfs/dbraw/zinc/28/78/09/411287809.db2.gz FTQAQALIRRWONR-LLVKDONJSA-N 1 0 234.347 1.192 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncnc3c2CCCC3)C1 ZINC000382451866 411290616 /nfs/dbraw/zinc/29/06/16/411290616.db2.gz GDHHEPJDBCNZSK-WDEREUQCSA-N 1 0 246.358 1.895 10 0 BDAERO CC[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000062901486 411329470 /nfs/dbraw/zinc/32/94/70/411329470.db2.gz CQBUBUQRCRGXNW-PWSUYJOCSA-N 1 0 212.337 1.537 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ncncc1Cl ZINC000656608935 411307958 /nfs/dbraw/zinc/30/79/58/411307958.db2.gz PJFYPTUNBTUEDO-UHFFFAOYSA-N 1 0 214.700 1.304 10 0 BDAERO CN1C[C@@H](C[NH2+][C@H]2CCCC23CC3)CC1=O ZINC000658239562 411308308 /nfs/dbraw/zinc/30/83/08/411308308.db2.gz DXNAQCILVUYJLX-MNOVXSKESA-N 1 0 222.332 1.387 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1nccc2occc21 ZINC000656610784 411308591 /nfs/dbraw/zinc/30/85/91/411308591.db2.gz JFPBHVBYBNYAGQ-UHFFFAOYSA-N 1 0 229.283 1.755 10 0 BDAERO CN1C[C@H](C[NH2+][C@H](C2CC2)C2CCC2)CC1=O ZINC000658242754 411308923 /nfs/dbraw/zinc/30/89/23/411308923.db2.gz UNOZYGCMXXJMAN-HZMBPMFUSA-N 1 0 236.359 1.633 10 0 BDAERO CCc1nc(C)cc(N(C)CC(C)(C)[NH3+])n1 ZINC000656609792 411308999 /nfs/dbraw/zinc/30/89/99/411308999.db2.gz VAAVSOVWJHUIBA-UHFFFAOYSA-N 1 0 222.336 1.521 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@H]1CC1(C)C ZINC000658242701 411309531 /nfs/dbraw/zinc/30/95/31/411309531.db2.gz SUPHBDDXEAPCQW-TUAOUCFPSA-N 1 0 238.375 1.879 10 0 BDAERO Cc1nnc(NCC2([NH3+])CCCC2)nc1C ZINC000656611052 411309619 /nfs/dbraw/zinc/30/96/19/411309619.db2.gz ZQFYSAXHMIJTTI-UHFFFAOYSA-N 1 0 221.308 1.172 10 0 BDAERO CCN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402724635 411310479 /nfs/dbraw/zinc/31/04/79/411310479.db2.gz YRVGTJWSJASLTE-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1[NH3+] ZINC000402853769 411319489 /nfs/dbraw/zinc/31/94/89/411319489.db2.gz CIDIYHUYBUYMAV-OFTGVCEQSA-N 1 0 234.343 1.394 10 0 BDAERO CCCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000128860490 411255380 /nfs/dbraw/zinc/25/53/80/411255380.db2.gz DSKOCMQIXBPYJO-JTQLQIEISA-N 1 0 200.326 1.666 10 0 BDAERO CCn1nc(C)c([C@H](C)[NH2+]C/C=C\CO)c1C ZINC000658132532 411256742 /nfs/dbraw/zinc/25/67/42/411256742.db2.gz IFVOYMZPTKRPOW-GFVADAIESA-N 1 0 237.347 1.719 10 0 BDAERO CCCCN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128863022 411259704 /nfs/dbraw/zinc/25/97/04/411259704.db2.gz WTMFXQCILSTTHG-SNVBAGLBSA-N 1 0 200.326 1.618 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)C1(C)C ZINC000658355843 411351979 /nfs/dbraw/zinc/35/19/79/411351979.db2.gz JTFVTNYHYMRZTB-MMVSWEMESA-N 1 0 227.348 1.551 10 0 BDAERO COC[C@H]([NH2+]C1CC(CO)C1)C(C)C ZINC000658356022 411353624 /nfs/dbraw/zinc/35/36/24/411353624.db2.gz LNQDSYATTBUXOL-ILDUYXDCSA-N 1 0 201.310 1.018 10 0 BDAERO Cc1noc2ncnc(NC[C@@H]3CCC[NH2+]C3)c12 ZINC000071194714 411365525 /nfs/dbraw/zinc/36/55/25/411365525.db2.gz NQNOPVPBZCMFPU-SECBINFHSA-N 1 0 247.302 1.338 10 0 BDAERO CC1(C)COCCN1[C@@H](C[NH3+])c1ccsc1 ZINC000042461400 167973395 /nfs/dbraw/zinc/97/33/95/167973395.db2.gz MDGNBJDVAMDGAO-NSHDSACASA-N 1 0 240.372 1.859 10 0 BDAERO COCC1(N(C)C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000659338840 411366060 /nfs/dbraw/zinc/36/60/60/411366060.db2.gz RQNAUAMBQZAOJN-WDEREUQCSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@@]1(C)CO ZINC000662144737 411366766 /nfs/dbraw/zinc/36/67/66/411366766.db2.gz UOFLVKHOZLWUAO-MQYQWHSLSA-N 1 0 241.375 1.488 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)[C@H](C)CO1 ZINC000403942648 411369041 /nfs/dbraw/zinc/36/90/41/411369041.db2.gz JTRFHIWDHHBFFQ-UTUOFQBUSA-N 1 0 242.363 1.386 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)[C@@H](C)CO1 ZINC000403942647 411369407 /nfs/dbraw/zinc/36/94/07/411369407.db2.gz JTRFHIWDHHBFFQ-TUAOUCFPSA-N 1 0 242.363 1.386 10 0 BDAERO Cc1ccc(C[NH3+])cc1-c1ccnn1C ZINC000164948747 411338802 /nfs/dbraw/zinc/33/88/02/411338802.db2.gz PKZIBYSBYWSDKI-UHFFFAOYSA-N 1 0 201.273 1.854 10 0 BDAERO CC1(C)[C@H]([NH2+]CCCCO)[C@@H]2CCO[C@H]21 ZINC000300212884 168004629 /nfs/dbraw/zinc/00/46/29/168004629.db2.gz GDVONZVXLIQACI-HBNTYKKESA-N 1 0 213.321 1.162 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC1(C)COC1 ZINC000336701594 168042036 /nfs/dbraw/zinc/04/20/36/168042036.db2.gz YFBGIPBLQITGMO-VIFPVBQESA-N 1 0 201.310 1.020 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCC1CCC1 ZINC000659362485 411377765 /nfs/dbraw/zinc/37/77/65/411377765.db2.gz QLCYMMYPSVXAAS-ZYHUDNBSSA-N 1 0 224.348 1.538 10 0 BDAERO C[C@@H](C1CC[NH2+]CC1)N1C(=O)CC(C)CC1=O ZINC000061828875 168138819 /nfs/dbraw/zinc/13/88/19/168138819.db2.gz UQSBNASLCUKKKF-JTQLQIEISA-N 1 0 238.331 1.160 10 0 BDAERO C[C@H](C1CC[NH2+]CC1)N1C(=O)CC(C)CC1=O ZINC000061828876 168139236 /nfs/dbraw/zinc/13/92/36/168139236.db2.gz UQSBNASLCUKKKF-SNVBAGLBSA-N 1 0 238.331 1.160 10 0 BDAERO CC1CCC(C[NH2+][C@]2(CO)CCOC2)CC1 ZINC000309778410 168157170 /nfs/dbraw/zinc/15/71/70/168157170.db2.gz MHCPBDWEXOYCTM-BPCQOVAHSA-N 1 0 227.348 1.554 10 0 BDAERO CC1CCC(NC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000019408866 168161655 /nfs/dbraw/zinc/16/16/55/168161655.db2.gz PWABKVOVEQXLSO-MCIGGMRASA-N 1 0 224.348 1.823 10 0 BDAERO CC1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000019408868 168162067 /nfs/dbraw/zinc/16/20/67/168162067.db2.gz PWABKVOVEQXLSO-HTAVTVPLSA-N 1 0 224.348 1.823 10 0 BDAERO CC1CCC([NH2+][C@@]2(C)CCS(=O)(=O)C2)CC1 ZINC000036944299 168165721 /nfs/dbraw/zinc/16/57/21/168165721.db2.gz KWNTVESFCRONSV-MCIGGMRASA-N 1 0 245.388 1.732 10 0 BDAERO CC1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000309421211 168165924 /nfs/dbraw/zinc/16/59/24/168165924.db2.gz JWGJZPCPXWONGT-RSJDFQLWSA-N 1 0 224.348 1.822 10 0 BDAERO CC1CCC(OC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062132519 168166440 /nfs/dbraw/zinc/16/64/40/168166440.db2.gz JUNUAXKXDUOQJV-YVNMAJEFSA-N 1 0 211.305 1.718 10 0 BDAERO CC1CCC(OCCn2cc(C[NH3+])nn2)CC1 ZINC000052619308 168168644 /nfs/dbraw/zinc/16/86/44/168168644.db2.gz AXJXUXNLGGSNTM-UHFFFAOYSA-N 1 0 238.335 1.332 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@]1(C)CC1(F)F ZINC000659360217 411376081 /nfs/dbraw/zinc/37/60/81/411376081.db2.gz BDUPFIVOJPHVOD-QXEWZRGKSA-N 1 0 246.301 1.536 10 0 BDAERO CC1CCN(CC[NH2+]C[C@@H]2CCCO2)CC1 ZINC000041247416 168181802 /nfs/dbraw/zinc/18/18/02/168181802.db2.gz UNUVSYMRUHGWAB-ZDUSSCGKSA-N 1 0 226.364 1.487 10 0 BDAERO CCC(=O)CC[NH+]1CCC(c2ccnn2C)CC1 ZINC000190206834 168201681 /nfs/dbraw/zinc/20/16/81/168201681.db2.gz ZHZSXABSVUTVBC-UHFFFAOYSA-N 1 0 249.358 1.969 10 0 BDAERO CCC[C@@H](C)N(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000659270261 411385019 /nfs/dbraw/zinc/38/50/19/411385019.db2.gz VNVHUWVEHPODPR-DGCLKSJQSA-N 1 0 242.363 1.402 10 0 BDAERO CCC(C)(C)C(=O)NC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062037142 168264252 /nfs/dbraw/zinc/26/42/52/168264252.db2.gz HIMSELVGZJNGHH-WDEREUQCSA-N 1 0 226.364 1.927 10 0 BDAERO CCC(C)(C)C(=O)Nc1ccc(C[NH3+])cn1 ZINC000054401477 168269225 /nfs/dbraw/zinc/26/92/25/168269225.db2.gz JNRORCKUSOFAOD-UHFFFAOYSA-N 1 0 221.304 1.915 10 0 BDAERO CCC(C)(C)NC(=O)CN[C@H](C)CC[NH+](C)C ZINC000049557070 168289750 /nfs/dbraw/zinc/28/97/50/168289750.db2.gz LNHRGPDBANKLKA-LLVKDONJSA-N 1 0 243.395 1.221 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H](C)OC[C@H]1CC[NH2+]C1 ZINC000051888234 168294262 /nfs/dbraw/zinc/29/42/62/168294262.db2.gz ZBCUIHHTBQNMRD-MNOVXSKESA-N 1 0 242.363 1.306 10 0 BDAERO CCC(C)(C)[NH2+]CCN(CCOC)CCOC ZINC000053386638 168297676 /nfs/dbraw/zinc/29/76/76/168297676.db2.gz LNMKLALLKODGIR-UHFFFAOYSA-N 1 0 246.395 1.359 10 0 BDAERO Cc1ncc(C[NH2+]CC[C@@H]2CCCO2)n1C ZINC000657304876 411456420 /nfs/dbraw/zinc/45/64/20/411456420.db2.gz SPVRZYGQQKPMPY-LBPRGKRZSA-N 1 0 223.320 1.387 10 0 BDAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1CCCO1 ZINC000069633617 411458012 /nfs/dbraw/zinc/45/80/12/411458012.db2.gz OPNFUEARPMMUHT-NXEZZACHSA-N 1 0 228.336 1.188 10 0 BDAERO CC(C)[C@@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000659379640 411406543 /nfs/dbraw/zinc/40/65/43/411406543.db2.gz KPSONCUJMOQPBU-RAIGVLPGSA-N 1 0 238.375 1.925 10 0 BDAERO COCC[NH2+]CCNc1nccc2ccccc21 ZINC000216384048 411411849 /nfs/dbraw/zinc/41/18/49/411411849.db2.gz GIYNYDITUGAQEF-UHFFFAOYSA-N 1 0 245.326 1.883 10 0 BDAERO CC[N@@H+]1CCCOC[C@H]1c1ccccc1CO ZINC000616649006 411412425 /nfs/dbraw/zinc/41/24/25/411412425.db2.gz JDIKGKDBGDOMKT-AWEZNQCLSA-N 1 0 235.327 1.962 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCCC(F)(F)C2)C1 ZINC000405143407 411418318 /nfs/dbraw/zinc/41/83/18/411418318.db2.gz ZEJZDSDQJXMYKZ-IUCAKERBSA-N 1 0 232.274 1.372 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCC(F)(F)C2)C1 ZINC000405143405 411418599 /nfs/dbraw/zinc/41/85/99/411418599.db2.gz ZEJZDSDQJXMYKZ-BDAKNGLRSA-N 1 0 232.274 1.372 10 0 BDAERO Cc1cc(C(C)C)nc(N2CCC[C@H]2C[NH3+])n1 ZINC000122605605 411434576 /nfs/dbraw/zinc/43/45/76/411434576.db2.gz NZNDLPPPDISFCV-NSHDSACASA-N 1 0 234.347 1.836 10 0 BDAERO CC(C)CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000128898477 411441829 /nfs/dbraw/zinc/44/18/29/411441829.db2.gz PYQHVYLCBQMUME-SNVBAGLBSA-N 1 0 200.326 1.474 10 0 BDAERO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CO1 ZINC000657358917 411476259 /nfs/dbraw/zinc/47/62/59/411476259.db2.gz HTHQLUMLYUYQTA-GMTAPVOTSA-N 1 0 215.337 1.551 10 0 BDAERO CO[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000659901367 411492678 /nfs/dbraw/zinc/49/26/78/411492678.db2.gz PBYNQXGBMCIHMC-KGLIPLIRSA-N 1 0 238.375 1.582 10 0 BDAERO Cc1nnc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000309488826 411498560 /nfs/dbraw/zinc/49/85/60/411498560.db2.gz YZOGGBDQRWQPEN-ONGXEEELSA-N 1 0 238.360 1.412 10 0 BDAERO CC(C)[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCS1 ZINC000659969754 411513430 /nfs/dbraw/zinc/51/34/30/411513430.db2.gz RJXCTNNOKVPULJ-IJLUTSLNSA-N 1 0 229.389 1.973 10 0 BDAERO COCC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000655815512 411524859 /nfs/dbraw/zinc/52/48/59/411524859.db2.gz BMUJIJRHSJGFCU-TUAOUCFPSA-N 1 0 239.359 1.816 10 0 BDAERO CCN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC000062569188 170000723 /nfs/dbraw/zinc/00/07/23/170000723.db2.gz HZNZHABUAGBYFX-CYBMUJFWSA-N 1 0 204.317 1.523 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2ccccc2F)C1 ZINC000034155290 170000739 /nfs/dbraw/zinc/00/07/39/170000739.db2.gz XKOMEPDJYZNIHZ-GFCCVEGCSA-N 1 0 208.280 1.792 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657327004 411465835 /nfs/dbraw/zinc/46/58/35/411465835.db2.gz XYLDQGHQIGFVSE-GFCCVEGCSA-N 1 0 248.374 1.403 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2nccc(C)n2)C1 ZINC000061859026 170010388 /nfs/dbraw/zinc/01/03/88/170010388.db2.gz CDEPJQGJXPSMOY-NSHDSACASA-N 1 0 220.320 1.539 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2)C1 ZINC000334576719 170010914 /nfs/dbraw/zinc/01/09/14/170010914.db2.gz BQWIHNMESKQBDT-LLVKDONJSA-N 1 0 234.299 1.216 10 0 BDAERO CC[N@@H+]1CC[C@H](CNC2N=NC(=S)S2)C1 ZINC000037484475 170016546 /nfs/dbraw/zinc/01/65/46/170016546.db2.gz YASPUYVYPGGNHK-SSDOTTSWSA-N 1 0 244.389 1.581 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000336779237 170031411 /nfs/dbraw/zinc/03/14/11/170031411.db2.gz NQAZRYUFEJRRHL-VXGBXAGGSA-N 1 0 228.380 1.589 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccn2C)C1 ZINC000336675712 170031430 /nfs/dbraw/zinc/03/14/30/170031430.db2.gz BCLSDWOGDITOQN-DGCLKSJQSA-N 1 0 221.348 1.455 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000336779873 170031823 /nfs/dbraw/zinc/03/18/23/170031823.db2.gz PQZAEZOLEJRCFM-DGCLKSJQSA-N 1 0 224.348 1.263 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000336779235 170037001 /nfs/dbraw/zinc/03/70/01/170037001.db2.gz NQAZRYUFEJRRHL-NWDGAFQWSA-N 1 0 228.380 1.589 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CCOC)C1 ZINC000336769766 170038317 /nfs/dbraw/zinc/03/83/17/170038317.db2.gz VBYNYKBBXBIALD-SDDRHHMPSA-N 1 0 214.353 1.341 10 0 BDAERO CCN1OC2(CC1=S)CC[NH+](C)CC2 ZINC000039101747 170041028 /nfs/dbraw/zinc/04/10/28/170041028.db2.gz VTJPGWPIGFNAFS-UHFFFAOYSA-N 1 0 214.334 1.435 10 0 BDAERO CCN1c2ccccc2C[C@@]1(C)C1=[NH+]CCN1 ZINC000028016774 170041884 /nfs/dbraw/zinc/04/18/84/170041884.db2.gz PVTNKNIFQFYWPI-AWEZNQCLSA-N 1 0 229.327 1.829 10 0 BDAERO CCNC(=[NH2+])N1CCc2ccccc2C1 ZINC000052036840 170041981 /nfs/dbraw/zinc/04/19/81/170041981.db2.gz PENUTJUVCZOQKJ-UHFFFAOYSA-N 1 0 203.289 1.589 10 0 BDAERO CCNC(=O)CCN(C)c1cccc(C[NH3+])c1 ZINC000061951672 170050416 /nfs/dbraw/zinc/05/04/16/170050416.db2.gz USBXJMHVGAMUJO-UHFFFAOYSA-N 1 0 235.331 1.108 10 0 BDAERO CCNC(=O)CCOc1cccc(C[NH2+]C)c1 ZINC000051757021 170052858 /nfs/dbraw/zinc/05/28/58/170052858.db2.gz BOUWAQXAUDJHBB-UHFFFAOYSA-N 1 0 236.315 1.311 10 0 BDAERO CCNC(=O)CC[C@@H](C[NH3+])c1ccccn1 ZINC000076610756 170053028 /nfs/dbraw/zinc/05/30/28/170053028.db2.gz NWIMCJKNCKNFJL-JTQLQIEISA-N 1 0 221.304 1.040 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1ccncc1 ZINC000076610767 170054489 /nfs/dbraw/zinc/05/44/89/170054489.db2.gz BWLAZCIJJIOGTC-LLVKDONJSA-N 1 0 221.304 1.040 10 0 BDAERO CCNC(=O)C[NH2+][C@H]1CCCc2sccc21 ZINC000061325815 170065653 /nfs/dbraw/zinc/06/56/53/170065653.db2.gz IXTPWPGDZOQWJQ-JTQLQIEISA-N 1 0 238.356 1.851 10 0 BDAERO CCNC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000035138867 170066150 /nfs/dbraw/zinc/06/61/50/170066150.db2.gz LCOZOHFMKWJMQD-MRVPVSSYSA-N 1 0 242.269 1.752 10 0 BDAERO CCNC(=O)CNc1ccc(N)c2c[nH+]ccc12 ZINC000036780209 170066943 /nfs/dbraw/zinc/06/69/43/170066943.db2.gz JZIDSSAIKRMZPK-UHFFFAOYSA-N 1 0 244.298 1.365 10 0 BDAERO CCNC(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000036949271 170084887 /nfs/dbraw/zinc/08/48/87/170084887.db2.gz XAASSEWXCDUUNA-MRVPVSSYSA-N 1 0 207.277 1.848 10 0 BDAERO CCNC(=O)Oc1ccc2c(c1)[C@H]([NH3+])CC2 ZINC000013492208 170084994 /nfs/dbraw/zinc/08/49/94/170084994.db2.gz AAHXNWIGTPUBBQ-LLVKDONJSA-N 1 0 220.272 1.741 10 0 BDAERO CCNC(=O)[C@@H](C)Oc1cccc(CC[NH3+])c1 ZINC000037721315 170089768 /nfs/dbraw/zinc/08/97/68/170089768.db2.gz IRNQVSCAWPRBNX-SNVBAGLBSA-N 1 0 236.315 1.091 10 0 BDAERO CCNC(=O)[C@H](C)Oc1ccccc1[C@H](C)[NH3+] ZINC000020419419 170096636 /nfs/dbraw/zinc/09/66/36/170096636.db2.gz BVCHUTTWMRKYIK-UWVGGRQHSA-N 1 0 236.315 1.610 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1ccccn1 ZINC000076610716 170097443 /nfs/dbraw/zinc/09/74/43/170097443.db2.gz VHRQGNPLQUXPAH-SNVBAGLBSA-N 1 0 221.304 1.040 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(C)[C@@H]1CCSC1 ZINC000061288837 170106211 /nfs/dbraw/zinc/10/62/11/170106211.db2.gz PWYPHFZRSVHIKS-SECBINFHSA-N 1 0 230.377 1.338 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCO[C@@H](C)C1 ZINC000061299595 170107076 /nfs/dbraw/zinc/10/70/76/170107076.db2.gz IQXPYHDGMACNQP-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C)ccn1 ZINC000061288276 170107278 /nfs/dbraw/zinc/10/72/78/170107278.db2.gz JOKCDMDFPUUOIR-UHFFFAOYSA-N 1 0 221.304 1.717 10 0 BDAERO CC[NH2+]C1(c2nccs2)CCN(C)CC1 ZINC000041060965 170108109 /nfs/dbraw/zinc/10/81/09/170108109.db2.gz STKXUUYNUAXCNO-UHFFFAOYSA-N 1 0 225.361 1.674 10 0 BDAERO CC[NH2+]CCC(=O)N[C@@H]1CCCc2occc21 ZINC000061298652 170111397 /nfs/dbraw/zinc/11/13/97/170111397.db2.gz IFVOPBZKUJMWDF-LLVKDONJSA-N 1 0 236.315 1.773 10 0 BDAERO CC[NH2+]CCC(=O)N(CC(F)(F)F)C(C)C ZINC000061295456 170111742 /nfs/dbraw/zinc/11/17/42/170111742.db2.gz MKPQVYANXMSANN-UHFFFAOYSA-N 1 0 240.269 1.785 10 0 BDAERO CC[NH2+]CCC(=O)N(C)[C@@H](C)C(C)C ZINC000061289405 170111921 /nfs/dbraw/zinc/11/19/21/170111921.db2.gz ZFGDDXBROANUII-JTQLQIEISA-N 1 0 200.326 1.489 10 0 BDAERO CC[NH2+]CCC(=O)N1CCn2c(C)ccc2[C@H]1C ZINC000061293960 170112158 /nfs/dbraw/zinc/11/21/58/170112158.db2.gz XZFBODQADVOFPN-GFCCVEGCSA-N 1 0 249.358 1.699 10 0 BDAERO CC[NH2+]CC1CCN(c2ccncn2)CC1 ZINC000053664514 170112171 /nfs/dbraw/zinc/11/21/71/170112171.db2.gz FPYQYCCVSUCVJC-UHFFFAOYSA-N 1 0 220.320 1.303 10 0 BDAERO CC[NH2+]CCC(=O)N1CCC[C@H]1c1ccncc1 ZINC000061289578 170112181 /nfs/dbraw/zinc/11/21/81/170112181.db2.gz BIOCCZMLKGEFHG-ZDUSSCGKSA-N 1 0 247.342 1.745 10 0 BDAERO CC[NH2+]CCOCc1ccn(-c2ccccc2)n1 ZINC000061641229 170116229 /nfs/dbraw/zinc/11/62/29/170116229.db2.gz VPWLGDNKTPPXAN-UHFFFAOYSA-N 1 0 245.326 1.998 10 0 BDAERO CC[NH2+]CCO[C@H](C)C(=O)N1CCCCCC1 ZINC000051844224 170116281 /nfs/dbraw/zinc/11/62/81/170116281.db2.gz GEEYNSLXWNPPTO-GFCCVEGCSA-N 1 0 242.363 1.404 10 0 BDAERO CC[NH2+]CC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000052949043 170117342 /nfs/dbraw/zinc/11/73/42/170117342.db2.gz GOMVOCQNSRYVIV-SNVBAGLBSA-N 1 0 239.340 1.557 10 0 BDAERO CC[NH2+]CC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052949045 170117573 /nfs/dbraw/zinc/11/75/73/170117573.db2.gz GOMVOCQNSRYVIV-JTQLQIEISA-N 1 0 239.340 1.557 10 0 BDAERO CC[NH2+]CCc1nc2cc(O)ccc2[nH]1 ZINC000074325410 170118542 /nfs/dbraw/zinc/11/85/42/170118542.db2.gz AMZSVXHXPQVVHF-UHFFFAOYSA-N 1 0 205.261 1.421 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000061268083 170119237 /nfs/dbraw/zinc/11/92/37/170119237.db2.gz YRHHRFABALUUIL-GHMZBOCLSA-N 1 0 242.363 1.258 10 0 BDAERO CC[NH2+]C[C@@H](C)N1CCOC(C)(C)C1 ZINC000052481728 170119290 /nfs/dbraw/zinc/11/92/90/170119290.db2.gz ZPUYJIPFRYRTFO-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1Cc1nnc(C)o1 ZINC000104409036 170119706 /nfs/dbraw/zinc/11/97/06/170119706.db2.gz ZRDWRACYLKKSAQ-NSHDSACASA-N 1 0 238.335 1.342 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc2c(c1)OCCCO2 ZINC000049828703 170119892 /nfs/dbraw/zinc/11/98/92/170119892.db2.gz LHQUPWHKWQPYJR-LLVKDONJSA-N 1 0 237.299 1.491 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)Cc1ccccc1 ZINC000062189127 170121565 /nfs/dbraw/zinc/12/15/65/170121565.db2.gz FWPGXWLTWVQPGN-QWHCGFSZSA-N 1 0 248.370 1.979 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cccc(CC)c1 ZINC000032014551 170121940 /nfs/dbraw/zinc/12/19/40/170121940.db2.gz XSIISLFRRPOLMD-LBPRGKRZSA-N 1 0 223.316 1.598 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000032015848 170122228 /nfs/dbraw/zinc/12/22/28/170122228.db2.gz HHSLPSURGSUULZ-JTQLQIEISA-N 1 0 229.707 1.689 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1cc(C)ncn1 ZINC000053696964 170122947 /nfs/dbraw/zinc/12/29/47/170122947.db2.gz RWYACXLIHMEFKG-LLVKDONJSA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037871982 170123050 /nfs/dbraw/zinc/12/30/50/170123050.db2.gz UIVVKPDGASECAG-JTQLQIEISA-N 1 0 201.216 1.608 10 0 BDAERO CC[NH2+]Cc1c(C)nn(C)c1N1CCC[C@H]1C ZINC000037911801 170124531 /nfs/dbraw/zinc/12/45/31/170124531.db2.gz PYWPLFSMHUUIDD-SNVBAGLBSA-N 1 0 236.363 1.827 10 0 BDAERO CC[NH2+]Cc1cc(N2CCCOCC2)ccn1 ZINC000061935302 170125714 /nfs/dbraw/zinc/12/57/14/170125714.db2.gz ULOKULWUYVCEDO-UHFFFAOYSA-N 1 0 235.331 1.418 10 0 BDAERO CC[NH2+]Cc1ccc(OC[C@H]2CCOC2)nn1 ZINC000051572138 170127083 /nfs/dbraw/zinc/12/70/83/170127083.db2.gz QWVZTAMDOUIVKL-JTQLQIEISA-N 1 0 237.303 1.001 10 0 BDAERO CC[NH2+]Cc1ccc(OCCC(=O)NC)cc1 ZINC000051756927 170127326 /nfs/dbraw/zinc/12/73/26/170127326.db2.gz DUMJEQQRTUPUML-UHFFFAOYSA-N 1 0 236.315 1.311 10 0 BDAERO CC[NH2+]Cc1cccc(NC(=O)NC)c1 ZINC000125283462 170128589 /nfs/dbraw/zinc/12/85/89/170128589.db2.gz FHGMBTZHPJSYJX-UHFFFAOYSA-N 1 0 207.277 1.547 10 0 BDAERO CC[NH2+]Cc1ccccc1N1CC[C@H](O)C1 ZINC000061711290 170129639 /nfs/dbraw/zinc/12/96/39/170129639.db2.gz OJEVESJOSJSOEJ-LBPRGKRZSA-N 1 0 220.316 1.367 10 0 BDAERO CC[NH2+]Cc1cnc(-c2ncccn2)s1 ZINC000040996637 170129747 /nfs/dbraw/zinc/12/97/47/170129747.db2.gz XOSFZLDPXMHHNS-UHFFFAOYSA-N 1 0 220.301 1.710 10 0 BDAERO CC[NH2+]Cc1coc(CN2CCOC[C@H]2C)c1 ZINC000052475977 170130114 /nfs/dbraw/zinc/13/01/14/170130114.db2.gz CLAWOVXSBVTCPT-LLVKDONJSA-N 1 0 238.331 1.610 10 0 BDAERO CC[NH2+]Cc1cnc(N2CCOC[C@H]2C)s1 ZINC000054903518 170130276 /nfs/dbraw/zinc/13/02/76/170130276.db2.gz XAUFLUMSCFUDEQ-SECBINFHSA-N 1 0 241.360 1.478 10 0 BDAERO CC[NH2+]Cc1cnn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054600033 170130851 /nfs/dbraw/zinc/13/08/51/170130851.db2.gz YPRYOIUXQQCXIQ-OLZOCXBDSA-N 1 0 237.347 1.777 10 0 BDAERO CC[NH2+]Cc1csc(CN2CCCC2)n1 ZINC000045206612 170130882 /nfs/dbraw/zinc/13/08/82/170130882.db2.gz ZQTXUSSEZXBJNG-UHFFFAOYSA-N 1 0 225.361 1.848 10 0 BDAERO CC[NH2+]Cc1csc(CN2CCOCC2)n1 ZINC000045206616 170130925 /nfs/dbraw/zinc/13/09/25/170130925.db2.gz RBGJBDMUFIWTKJ-UHFFFAOYSA-N 1 0 241.360 1.085 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H]1CCCC[C@@H]1C ZINC000054745929 170131420 /nfs/dbraw/zinc/13/14/20/170131420.db2.gz JQKQMPFDUABGSH-VHSXEESVSA-N 1 0 223.324 1.534 10 0 BDAERO CC[NH2+]Cc1sc(CC)nc1COC ZINC000082441309 170132978 /nfs/dbraw/zinc/13/29/78/170132978.db2.gz KNOBHJOAFMPIAW-UHFFFAOYSA-N 1 0 214.334 1.961 10 0 BDAERO CC[NH2+][C@@H](C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000043301151 170138132 /nfs/dbraw/zinc/13/81/32/170138132.db2.gz LMTJUWNSKXZQDW-UWVGGRQHSA-N 1 0 219.350 1.055 10 0 BDAERO CC[NH2+][C@@H](C1=CCCC1)[C@@H]1COCCO1 ZINC000055301305 170142700 /nfs/dbraw/zinc/14/27/00/170142700.db2.gz XMXRHFOZXAYATC-RYUDHWBXSA-N 1 0 211.305 1.490 10 0 BDAERO CC[NH2+][C@@H](Cc1cnn(C)c1)c1ccncc1 ZINC000050542633 170145764 /nfs/dbraw/zinc/14/57/64/170145764.db2.gz ABFOAHUGEQZBAB-ZDUSSCGKSA-N 1 0 230.315 1.708 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@@H]1n1nc(C)nc1C ZINC000044034468 170150452 /nfs/dbraw/zinc/15/04/52/170150452.db2.gz KEPUBYTWISAGIJ-NEPJUHHUSA-N 1 0 222.336 1.988 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1n1nc(C)nc1C ZINC000044035122 170150958 /nfs/dbraw/zinc/15/09/58/170150958.db2.gz JBALZZJZOSDFNO-MNOVXSKESA-N 1 0 208.309 1.598 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccc(C)o2)C1 ZINC000053038414 170151390 /nfs/dbraw/zinc/15/13/90/170151390.db2.gz SFNNCBGNUONUQS-LLVKDONJSA-N 1 0 208.305 1.772 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cccc(COC)c2)C1=O ZINC000049649278 170152646 /nfs/dbraw/zinc/15/26/46/170152646.db2.gz XWTXCVBWKIEACD-CYBMUJFWSA-N 1 0 248.326 1.548 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@@H]1N1CCC(C)CC1 ZINC000043806789 170152990 /nfs/dbraw/zinc/15/29/90/170152990.db2.gz KHGDMJWQGMWVNC-OLZOCXBDSA-N 1 0 226.364 1.485 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1c(C)cc(C)cc1C ZINC000037869595 170155918 /nfs/dbraw/zinc/15/59/18/170155918.db2.gz VFUCSEDJAIKAEJ-LBPRGKRZSA-N 1 0 220.316 1.748 10 0 BDAERO CC[NH2+][C@H](C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000043301150 170156223 /nfs/dbraw/zinc/15/62/23/170156223.db2.gz LMTJUWNSKXZQDW-VHSXEESVSA-N 1 0 219.350 1.055 10 0 BDAERO CC[NH2+][C@H](C)Cc1nc(-c2cccc(C)n2)no1 ZINC000110473308 170158678 /nfs/dbraw/zinc/15/86/78/170158678.db2.gz LDCPJLKYOUZGBK-SNVBAGLBSA-N 1 0 246.314 1.981 10 0 BDAERO CC[NH2+][C@H](C)c1nnc(-c2ccccn2)o1 ZINC000050619026 170160172 /nfs/dbraw/zinc/16/01/72/170160172.db2.gz QYSURKSFRJVOLA-MRVPVSSYSA-N 1 0 218.260 1.802 10 0 BDAERO CC[NH2+][C@H](CCO)c1ccc2c(c1)OCO2 ZINC000083617472 170161616 /nfs/dbraw/zinc/16/16/16/170161616.db2.gz WTSCGGVAHIPKEF-SNVBAGLBSA-N 1 0 223.272 1.448 10 0 BDAERO CC[NH2+][C@H](CCO)c1ccc2c(c1)OCCO2 ZINC000085320638 170161626 /nfs/dbraw/zinc/16/16/26/170161626.db2.gz PZDMQZRKBOBODG-LLVKDONJSA-N 1 0 237.299 1.491 10 0 BDAERO CCN[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000050270340 170162153 /nfs/dbraw/zinc/16/21/53/170162153.db2.gz KPHVNFGPIKQFGU-LLVKDONJSA-N 1 0 236.315 1.457 10 0 BDAERO CC[NH2+][C@H](c1cccs1)[C@@H]1COCCO1 ZINC000055300026 170165276 /nfs/dbraw/zinc/16/52/76/170165276.db2.gz UCCXUJFEKPUVHW-ONGXEEELSA-N 1 0 227.329 1.814 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000049647846 170167450 /nfs/dbraw/zinc/16/74/50/170167450.db2.gz GMPKOLXSXNRPTO-LBPRGKRZSA-N 1 0 236.290 1.536 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC000037240649 170167462 /nfs/dbraw/zinc/16/74/62/170167462.db2.gz ZZTIYBOMUOSHCE-ZDUSSCGKSA-N 1 0 234.343 1.879 10 0 BDAERO CC[NH2+][C@H]1CCN([C@H](C)c2ccncc2)C1=O ZINC000049648742 170167859 /nfs/dbraw/zinc/16/78/59/170167859.db2.gz XXPMPMWFTVLHQR-PWSUYJOCSA-N 1 0 233.315 1.353 10 0 BDAERO CC[NH2+][C@H]1CCN(CCc2ccccn2)C[C@@H]1C ZINC000049712380 170168126 /nfs/dbraw/zinc/16/81/26/170168126.db2.gz PWQBIBVSFBQMMU-ZFWWWQNUSA-N 1 0 247.386 1.944 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cc(F)ccc2C)C1=O ZINC000049647886 170168159 /nfs/dbraw/zinc/16/81/59/170168159.db2.gz QXUUWCLSXAMQLL-NSHDSACASA-N 1 0 236.290 1.849 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cnn(C(C)C)c2)C1 ZINC000061683373 170168460 /nfs/dbraw/zinc/16/84/60/170168460.db2.gz JYSTUYJXXFIUHE-NSHDSACASA-N 1 0 222.336 1.652 10 0 BDAERO CC[NH2+][C@H]1CS(=O)(=O)C[C@H]1c1ccccc1 ZINC000004226960 170168954 /nfs/dbraw/zinc/16/89/54/170168954.db2.gz HNHXENQBLPHYQU-RYUDHWBXSA-N 1 0 239.340 1.177 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cnn(C(C)C)c2)C1=O ZINC000061683378 170169168 /nfs/dbraw/zinc/16/91/68/170169168.db2.gz SKZAESUQFWYGDM-NSHDSACASA-N 1 0 236.319 1.179 10 0 BDAERO CC[NH2+][C@](C)(Cc1ccccc1OC)C(N)=O ZINC000037895014 170170253 /nfs/dbraw/zinc/17/02/53/170170253.db2.gz WPWHIZOKSVMBLP-CYBMUJFWSA-N 1 0 236.315 1.091 10 0 BDAERO CC[NH2+][C@](C)(CO)c1cc(F)ccc1F ZINC000038120142 170170561 /nfs/dbraw/zinc/17/05/61/170170561.db2.gz UWNDJEOHXNMFMS-LLVKDONJSA-N 1 0 215.243 1.782 10 0 BDAERO CC[NH2+][C@]1(CO)CCSc2ccccc21 ZINC000038120214 170170729 /nfs/dbraw/zinc/17/07/29/170170729.db2.gz YHZXFSMEXKLKHN-LBPRGKRZSA-N 1 0 223.341 1.980 10 0 BDAERO CCNc1c(C(N)=[NH2+])cnc2ccccc21 ZINC000050891529 170170797 /nfs/dbraw/zinc/17/07/97/170170797.db2.gz MLBDEVNEAVLZRZ-UHFFFAOYSA-N 1 0 214.272 1.951 10 0 BDAERO CCNc1cc2c(nn1)CC[N@H+](CC)C2 ZINC000054931123 170173111 /nfs/dbraw/zinc/17/31/11/170173111.db2.gz IETUAQLFJFUXON-UHFFFAOYSA-N 1 0 206.293 1.286 10 0 BDAERO CCNc1ccc(C[N@H+](CC)CCOC)cn1 ZINC000050816668 170173313 /nfs/dbraw/zinc/17/33/13/170173313.db2.gz ZRFRQGNVSZKEAU-UHFFFAOYSA-N 1 0 237.347 1.982 10 0 BDAERO CCNc1ccc(CN2CC[NH+](CC)CC2)cn1 ZINC000050792122 170173674 /nfs/dbraw/zinc/17/36/74/170173674.db2.gz CLUCSRQCYFPRJX-UHFFFAOYSA-N 1 0 248.374 1.651 10 0 BDAERO CCNc1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000050891535 170176611 /nfs/dbraw/zinc/17/66/11/170176611.db2.gz ZRDLFQYEGQJLLG-UHFFFAOYSA-N 1 0 218.304 1.676 10 0 BDAERO CCOC(=O)C1=C(C)N(CC)CC[NH+]=C1 ZINC000039101425 170191691 /nfs/dbraw/zinc/19/16/91/170191691.db2.gz BOVDUXCDKABQDC-UHFFFAOYSA-N 1 0 210.277 1.230 10 0 BDAERO CCOC(=O)CN(C1CC1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000103923525 170216051 /nfs/dbraw/zinc/21/60/51/170216051.db2.gz XANIEDQHITVDRX-PWSUYJOCSA-N 1 0 240.347 1.141 10 0 BDAERO CCOC(=O)COc1cccc(C[C@@H](C)[NH3+])c1 ZINC000037726526 170229519 /nfs/dbraw/zinc/22/95/19/170229519.db2.gz XRTRYKPZBQGBSB-SNVBAGLBSA-N 1 0 237.299 1.518 10 0 BDAERO CCOC(=O)C[C@H](Cc1ccccc1)[NH2+]C ZINC000074485368 170233211 /nfs/dbraw/zinc/23/32/11/170233211.db2.gz FHASYLFULHDNMS-LBPRGKRZSA-N 1 0 221.300 1.770 10 0 BDAERO CCOC(=O)C[C@H]([NH3+])c1cc(F)cc(OC)c1 ZINC000095931122 170233466 /nfs/dbraw/zinc/23/34/66/170233466.db2.gz ITSBAKBZELOHPT-NSHDSACASA-N 1 0 241.262 1.787 10 0 BDAERO CCOC(=O)Cn1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000041731558 170236745 /nfs/dbraw/zinc/23/67/45/170236745.db2.gz VSMVHIAYPGBZFN-LLVKDONJSA-N 1 0 236.315 1.696 10 0 BDAERO CCOC(=O)N1CC[C@H]([NH3+])C12CCCCC2 ZINC000039473106 170240312 /nfs/dbraw/zinc/24/03/12/170240312.db2.gz GCEHKYDEOVWBRJ-JTQLQIEISA-N 1 0 226.320 1.879 10 0 BDAERO CCOC(=O)[C@@](C)(C[NH+]1CCCCC1)NC ZINC000045229919 170260431 /nfs/dbraw/zinc/26/04/31/170260431.db2.gz WDRGSZLPPDWVTF-GFCCVEGCSA-N 1 0 228.336 1.014 10 0 BDAERO CCOC(=O)[C@H](C)N1Cc2ccccc2C1=[NH2+] ZINC000049373948 170267645 /nfs/dbraw/zinc/26/76/45/170267645.db2.gz OLKLDNOMUXNNQJ-VIFPVBQESA-N 1 0 232.283 1.779 10 0 BDAERO CCOC(=O)[C@H](CC[N@H+](C)CC(C)(C)C)NC ZINC000062523021 170272850 /nfs/dbraw/zinc/27/28/50/170272850.db2.gz NTLWYJXPWRUOJK-NSHDSACASA-N 1 0 244.379 1.506 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])Cc1ccccc1OC ZINC000020580318 170273184 /nfs/dbraw/zinc/27/31/84/170273184.db2.gz HLYYNSGMEMPZMO-NSHDSACASA-N 1 0 237.299 1.376 10 0 BDAERO CCOC(=O)[C@H](N)CC[N@H+](C)CC1CCCC1 ZINC000104356733 170274333 /nfs/dbraw/zinc/27/43/33/170274333.db2.gz OJSYGAPLTZEFIK-GFCCVEGCSA-N 1 0 242.363 1.389 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@]1(C)c1ccccc1 ZINC000096032687 170282181 /nfs/dbraw/zinc/28/21/81/170282181.db2.gz ZZDBUIZTYKSKSH-TZMCWYRMSA-N 1 0 233.311 1.727 10 0 BDAERO CCOC(=O)c1ccc(N[C@@H](C)CC[NH3+])nc1 ZINC000310550177 170296743 /nfs/dbraw/zinc/29/67/43/170296743.db2.gz WDTABRCXWZVIOZ-VIFPVBQESA-N 1 0 237.303 1.408 10 0 BDAERO CCOC(=O)c1cccnc1N[C@@H]1CC[N@H+](C)C1 ZINC000042548235 170299726 /nfs/dbraw/zinc/29/97/26/170299726.db2.gz WFSDTXFKEMWZJI-SNVBAGLBSA-N 1 0 249.314 1.374 10 0 BDAERO CCOC(=O)c1cncc(C2CC[NH2+]CC2)c1 ZINC000075869471 170302550 /nfs/dbraw/zinc/30/25/50/170302550.db2.gz JMUHYJKXTHCHBG-UHFFFAOYSA-N 1 0 234.299 1.725 10 0 BDAERO CCOCC(C)(C)C[NH2+]Cc1cnn(C)c1C ZINC000336730374 170351698 /nfs/dbraw/zinc/35/16/98/170351698.db2.gz XYSJROVVMZBFFC-UHFFFAOYSA-N 1 0 239.363 1.881 10 0 BDAERO CCOCCC[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000076458258 170380276 /nfs/dbraw/zinc/38/02/76/170380276.db2.gz ZZDNHYOTGNMYNA-GFCCVEGCSA-N 1 0 214.353 1.344 10 0 BDAERO CCOCCCn1cnnc1[C@H]1CCC[NH2+]C1 ZINC000098126476 170385805 /nfs/dbraw/zinc/38/58/05/170385805.db2.gz IDFXHSBPXJABDQ-NSHDSACASA-N 1 0 238.335 1.172 10 0 BDAERO CCCc1nccnc1NCC[NH+](C)C ZINC000663315946 411623195 /nfs/dbraw/zinc/62/31/95/411623195.db2.gz QHJKFRZNFFSDPN-UHFFFAOYSA-N 1 0 208.309 1.403 10 0 BDAERO CCOCC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762509 170397867 /nfs/dbraw/zinc/39/78/67/170397867.db2.gz HHPOQZPBEXWTNJ-LLVKDONJSA-N 1 0 201.310 1.260 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2cc[nH]n2)CC1 ZINC000616627660 411631942 /nfs/dbraw/zinc/63/19/42/411631942.db2.gz KFTIWLAWYSCOKQ-JTQLQIEISA-N 1 0 208.309 1.696 10 0 BDAERO Cc1cc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)nn1C ZINC000634771508 411635413 /nfs/dbraw/zinc/63/54/13/411635413.db2.gz XSSMIXOHANHKOC-GWCFXTLKSA-N 1 0 248.330 1.057 10 0 BDAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)o1 ZINC000657693418 411579656 /nfs/dbraw/zinc/57/96/56/411579656.db2.gz CEBCWCJHNQMBPC-JTQLQIEISA-N 1 0 222.288 1.156 10 0 BDAERO Cc1ccoc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696393 411581086 /nfs/dbraw/zinc/58/10/86/411581086.db2.gz JGAIJWSFRQDVHT-SNVBAGLBSA-N 1 0 222.288 1.156 10 0 BDAERO Cc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657808984 411601912 /nfs/dbraw/zinc/60/19/12/411601912.db2.gz RHNYLDKXPFDGFN-UHFFFAOYSA-N 1 0 205.301 1.856 10 0 BDAERO COC1(C[NH2+]C2CC(CO)C2)CCCCC1 ZINC000657810993 411603190 /nfs/dbraw/zinc/60/31/90/411603190.db2.gz QCWWOPPGQVPEMJ-UHFFFAOYSA-N 1 0 227.348 1.696 10 0 BDAERO OCC1CC([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000657813377 411603717 /nfs/dbraw/zinc/60/37/17/411603717.db2.gz VCPTZIASMXHFFS-OTTFEQOBSA-N 1 0 247.338 1.913 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657832168 411608867 /nfs/dbraw/zinc/60/88/67/411608867.db2.gz IYQCERDUDADROP-NEPJUHHUSA-N 1 0 225.332 1.857 10 0 BDAERO CCO[C@@H]1C[C@H]([NH3+])[C@H]1Oc1ccccc1 ZINC000238853412 170489510 /nfs/dbraw/zinc/48/95/10/170489510.db2.gz JRKQERSGLFDFAY-QJPTWQEYSA-N 1 0 207.273 1.570 10 0 BDAERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Oc1ccccc1 ZINC000095883804 170489760 /nfs/dbraw/zinc/48/97/60/170489760.db2.gz JRKQERSGLFDFAY-TUAOUCFPSA-N 1 0 207.273 1.570 10 0 BDAERO C[C@H](O)C[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000660926189 411676852 /nfs/dbraw/zinc/67/68/52/411676852.db2.gz MPWHCFVHUNJIRA-LOWVWBTDSA-N 1 0 227.348 1.383 10 0 BDAERO CCOc1ccc(OC[C@H](CO)[NH2+]C)cc1 ZINC000071532338 170556483 /nfs/dbraw/zinc/55/64/83/170556483.db2.gz CETMSHYJNCOXJS-JTQLQIEISA-N 1 0 225.288 1.044 10 0 BDAERO CCSCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336759614 170637667 /nfs/dbraw/zinc/63/76/67/170637667.db2.gz KVAZOZJCFDZKRZ-SECBINFHSA-N 1 0 230.377 1.386 10 0 BDAERO CCSc1nc2sccn2c1C[NH3+] ZINC000031972555 170657635 /nfs/dbraw/zinc/65/76/35/170657635.db2.gz XMCAUPQDDWHWCE-UHFFFAOYSA-N 1 0 213.331 1.967 10 0 BDAERO CCOc1nccnc1N[C@@H]1CC[NH2+][C@H]1CC ZINC000630525215 411719931 /nfs/dbraw/zinc/71/99/31/411719931.db2.gz CCHKTMFVUBGHEZ-VHSXEESVSA-N 1 0 236.319 1.428 10 0 BDAERO CCOc1nccnc1NC1CC[NH2+]CC1 ZINC000630552246 411720480 /nfs/dbraw/zinc/72/04/80/411720480.db2.gz GALLDESISUCHEY-UHFFFAOYSA-N 1 0 222.292 1.039 10 0 BDAERO CCOC(=O)N1CC[C@@H](c2ccc(N)nc2)C1 ZINC000616613248 411863880 /nfs/dbraw/zinc/86/38/80/411863880.db2.gz RCXXXAPPJXMTMU-SNVBAGLBSA-N 1 0 235.287 1.610 10 0 BDAERO CC(C)(O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661688163 411832343 /nfs/dbraw/zinc/83/23/43/411832343.db2.gz BZCXFBRHQBPFGS-SNVBAGLBSA-N 1 0 203.301 1.829 10 0 BDAERO CC[C@@H](C)NC(=O)C[C@H](C[NH3+])c1ccccn1 ZINC000076618148 170741610 /nfs/dbraw/zinc/74/16/10/170741610.db2.gz RKICKRSDKXDKEK-GHMZBOCLSA-N 1 0 235.331 1.429 10 0 BDAERO Cc1oc(C)c(C(=O)NC[C@@H]2CC[NH2+]C2)c1C ZINC000133609907 411859483 /nfs/dbraw/zinc/85/94/83/411859483.db2.gz LNFFVSZCYNLLPL-LLVKDONJSA-N 1 0 236.315 1.544 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2c[nH]nc2N)C1 ZINC000616653425 411860713 /nfs/dbraw/zinc/86/07/13/411860713.db2.gz OTFDBPDCYNHCTM-SNVBAGLBSA-N 1 0 238.335 1.554 10 0 BDAERO C[N@@H+]1CCCO[C@H](c2ccc(N)nc2)C1 ZINC000616651553 411890447 /nfs/dbraw/zinc/89/04/47/411890447.db2.gz NHGMCAAMZIPJPR-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO C[N@@H+]1CCO[C@H](c2ccnc(N)c2)CC1 ZINC000616686297 411891380 /nfs/dbraw/zinc/89/13/80/411891380.db2.gz IAEPEBVZAIQQQZ-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO C[C@H]([NH2+]CCCc1cncn1C)[C@H]1CCCO1 ZINC000314935679 411897862 /nfs/dbraw/zinc/89/78/62/411897862.db2.gz RKBBIYMPIZVENI-WCQYABFASA-N 1 0 237.347 1.510 10 0 BDAERO CC[C@@H](C)c1noc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000104213374 170809058 /nfs/dbraw/zinc/80/90/58/170809058.db2.gz IVCLBXVSCWUGRW-ZJUUUORDSA-N 1 0 238.335 1.549 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccnc(N)c2)C1 ZINC000616652719 411868827 /nfs/dbraw/zinc/86/88/27/411868827.db2.gz JDKBEDAWGTWJIN-GFCCVEGCSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccc(N)nc2)C1 ZINC000616660787 411872870 /nfs/dbraw/zinc/87/28/70/411872870.db2.gz OXMIOWUWWLRAEL-LBPRGKRZSA-N 1 0 235.331 1.488 10 0 BDAERO Cc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1O ZINC000133652112 411884554 /nfs/dbraw/zinc/88/45/54/411884554.db2.gz QFHJSZVSEYIQRS-SNVBAGLBSA-N 1 0 234.299 1.040 10 0 BDAERO CC[C@@H]([NH2+]C)c1ccc2c(c1)CC(=O)N2 ZINC000035495617 170888490 /nfs/dbraw/zinc/88/84/90/170888490.db2.gz RQKBQQCFMSKIGZ-SNVBAGLBSA-N 1 0 204.273 1.852 10 0 BDAERO CC[C@@H]([NH2+]CC(C)(C)C(N)=O)C(C)(C)C ZINC000336740673 170890642 /nfs/dbraw/zinc/89/06/42/170890642.db2.gz URTJZHSKWATJTH-SECBINFHSA-N 1 0 214.353 1.912 10 0 BDAERO CC[C@@H]([NH2+][C@H](C)CCc1ccccc1)C(N)=O ZINC000061677161 170911458 /nfs/dbraw/zinc/91/14/58/170911458.db2.gz XYZNSLZTMVZSPJ-DGCLKSJQSA-N 1 0 234.343 1.861 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C)[NH2+]2)CCO1 ZINC000036770501 171068905 /nfs/dbraw/zinc/06/89/05/171068905.db2.gz PMTJUKQQUDUCFA-QJPTWQEYSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@@H]1CN(CCc2ccccc2)CC[NH2+]1 ZINC000082925190 171084777 /nfs/dbraw/zinc/08/47/77/171084777.db2.gz DQBKSAWKDKWVCO-CQSZACIVSA-N 1 0 218.344 1.913 10 0 BDAERO CC[C@@H]1CN(C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000036770156 171085440 /nfs/dbraw/zinc/08/54/40/171085440.db2.gz QBHNBGMTLLFUBN-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@@H]1CN([C@@](C)(CC)C[NH3+])CCO1 ZINC000036769528 171096799 /nfs/dbraw/zinc/09/67/99/171096799.db2.gz OAXFYVLSSFTABV-MNOVXSKESA-N 1 0 200.326 1.225 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(C)=O ZINC000375871496 171099436 /nfs/dbraw/zinc/09/94/36/171099436.db2.gz CTGQAUHKDMCVLU-VXGBXAGGSA-N 1 0 210.321 1.482 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccoc1 ZINC000174986218 171099655 /nfs/dbraw/zinc/09/96/55/171099655.db2.gz AGMFVHHWPZSBDO-CHWSQXEVSA-N 1 0 248.326 1.978 10 0 BDAERO CC[C@@H]1COCCN1[C@@](C)(CC)C[NH3+] ZINC000036325890 171108190 /nfs/dbraw/zinc/10/81/90/171108190.db2.gz KBTDZYXIJNBBHY-MNOVXSKESA-N 1 0 200.326 1.225 10 0 BDAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccco1 ZINC000036323332 171108479 /nfs/dbraw/zinc/10/84/79/171108479.db2.gz JSUINTUUKMCGIW-MNOVXSKESA-N 1 0 224.304 1.390 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C[NH3+])no1 ZINC000052571065 171109452 /nfs/dbraw/zinc/10/94/52/171109452.db2.gz WBHHHEPGPRBWKA-GXSJLCMTSA-N 1 0 239.319 1.133 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1C(=O)[C@](C)([NH3+])C1CC1 ZINC000037614534 171111849 /nfs/dbraw/zinc/11/18/49/171111849.db2.gz YXIWCWRQBYTNPI-IRUJWGPZSA-N 1 0 240.347 1.140 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1C[C@]1(CC)CC[NH2+]C1 ZINC000062911633 171113576 /nfs/dbraw/zinc/11/35/76/171113576.db2.gz REBGXYGCAKSNRS-MGPQQGTHSA-N 1 0 240.391 1.875 10 0 BDAERO CC[C@@](CO)([NH2+]CCOC)c1ccc(O)cc1 ZINC000053292780 171193048 /nfs/dbraw/zinc/19/30/48/171193048.db2.gz XNAAMVKMCOXFON-ZDUSSCGKSA-N 1 0 239.315 1.226 10 0 BDAERO CC[C@@]([NH2+]C1CCCC1)(C(N)=O)C(C)C ZINC000037968626 171194458 /nfs/dbraw/zinc/19/44/58/171194458.db2.gz BLQJIMSQQMNDMZ-LBPRGKRZSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@@]1([NH3+])CCN(Cc2ccccc2)C1 ZINC000076639337 171212575 /nfs/dbraw/zinc/21/25/75/171212575.db2.gz DMCHUIKZIOTHEZ-CYBMUJFWSA-N 1 0 204.317 2.000 10 0 BDAERO CC[C@H](C(=O)N[C@@H](C)C(C)C)[NH+](C)C ZINC000124667640 171232209 /nfs/dbraw/zinc/23/22/09/171232209.db2.gz NZRKQQONMHMLTM-VHSXEESVSA-N 1 0 200.326 1.487 10 0 BDAERO CC(C)=CCC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000662283708 412075077 /nfs/dbraw/zinc/07/50/77/412075077.db2.gz CQTHHNDJIQJLSD-QWHCGFSZSA-N 1 0 224.348 1.405 10 0 BDAERO CC[C@H](C)[NH+]1CCN([C@H](C)CC(=O)OC)CC1 ZINC000055067809 171319343 /nfs/dbraw/zinc/31/93/43/171319343.db2.gz YHVTWPZDMVMCCY-NWDGAFQWSA-N 1 0 242.363 1.354 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+]CCc1ccccn1 ZINC000038014332 171322833 /nfs/dbraw/zinc/32/28/33/171322833.db2.gz IUZSFYKLWPCZLN-LBPRGKRZSA-N 1 0 249.358 1.519 10 0 BDAERO CC[C@H](C)NC(=O)C[NH2+]CCC(C)C ZINC000020047076 171326622 /nfs/dbraw/zinc/32/66/22/171326622.db2.gz MDVKDLQIRQFMAV-JTQLQIEISA-N 1 0 200.326 1.537 10 0 BDAERO CC[C@H](C)NC(=O)c1ccc(OCC[NH3+])cc1 ZINC000020228195 171337141 /nfs/dbraw/zinc/33/71/41/171337141.db2.gz NTXMVOPOZNSYRD-JTQLQIEISA-N 1 0 236.315 1.552 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)NCc1cccc(C)n1 ZINC000051576830 171339903 /nfs/dbraw/zinc/33/99/03/171339903.db2.gz IKLFMNLIUNPZPL-JTQLQIEISA-N 1 0 235.331 1.394 10 0 BDAERO CC[C@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000309188576 171344177 /nfs/dbraw/zinc/34/41/77/171344177.db2.gz PHHCYIRWNDYPST-VIFPVBQESA-N 1 0 208.309 1.431 10 0 BDAERO CC[C@H](C)[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000035687802 171346916 /nfs/dbraw/zinc/34/69/16/171346916.db2.gz FVPJDDDUUMVYGH-GXSJLCMTSA-N 1 0 239.340 1.903 10 0 BDAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1cccc(O)c1 ZINC000038065707 171346935 /nfs/dbraw/zinc/34/69/35/171346935.db2.gz VWYMSTAXQNZXQX-TVQRCGJNSA-N 1 0 236.315 1.481 10 0 BDAERO CC[C@H](C)[NH2+][C@H]1CCCn2nc(COC)nc21 ZINC000125308979 171349068 /nfs/dbraw/zinc/34/90/68/171349068.db2.gz DLZJXCXCMVNHDT-UWVGGRQHSA-N 1 0 238.335 1.648 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)SC ZINC000162331254 171371330 /nfs/dbraw/zinc/37/13/30/171371330.db2.gz PABLGRNHFHWYNK-DTWKUNHWSA-N 1 0 232.393 1.618 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1nnc2ncccn21 ZINC000036827940 171372526 /nfs/dbraw/zinc/37/25/26/171372526.db2.gz XXCKYYQGNXIXAA-JGVFFNPUSA-N 1 0 205.265 1.170 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC(C)(C)CC ZINC000019471772 171394815 /nfs/dbraw/zinc/39/48/15/171394815.db2.gz RJDVAWRMLFJSPW-IUCAKERBSA-N 1 0 200.326 1.665 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662441828 412175765 /nfs/dbraw/zinc/17/57/65/412175765.db2.gz NKNZZQZFZDHEPV-QPUJVOFHSA-N 1 0 216.284 1.428 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662441792 412176084 /nfs/dbraw/zinc/17/60/84/412176084.db2.gz MNEXDGRXSWRKMY-APPZFPTMSA-N 1 0 236.340 1.532 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)C1CCCC1 ZINC000662459869 412182661 /nfs/dbraw/zinc/18/26/61/412182661.db2.gz MTFKBAVDPHMXOI-ONGXEEELSA-N 1 0 212.337 1.679 10 0 BDAERO CC[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000662467338 412184917 /nfs/dbraw/zinc/18/49/17/412184917.db2.gz UIKSTKGECXDJFM-AVGNSLFASA-N 1 0 232.327 1.991 10 0 BDAERO CC[C@H]([NH3+])Cn1c2ccccc2nc(C)c1=O ZINC000052099134 171486174 /nfs/dbraw/zinc/48/61/74/171486174.db2.gz BGKDYGPBNOYWJW-JTQLQIEISA-N 1 0 231.299 1.442 10 0 BDAERO CCC1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662478143 412189643 /nfs/dbraw/zinc/18/96/43/412189643.db2.gz VDLIPWXIMABRQW-XKVACCQBSA-N 1 0 224.348 1.809 10 0 BDAERO CC[C@H]([NH3+])c1ccccc1OC[C@@H](C)C(N)=O ZINC000037226739 171491692 /nfs/dbraw/zinc/49/16/92/171491692.db2.gz HAMXSXXYGGXHSN-KOLCDFICSA-N 1 0 236.315 1.597 10 0 BDAERO CC[C@H]([NH3+])c1noc(-c2ccncc2)n1 ZINC000041052425 171493487 /nfs/dbraw/zinc/49/34/87/171493487.db2.gz RYRHCCZGGMMSHK-QMMMGPOBSA-N 1 0 204.233 1.541 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000662516702 412201955 /nfs/dbraw/zinc/20/19/55/412201955.db2.gz KNTJEEXRGQYSPQ-VWYCJHECSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000662408143 412153024 /nfs/dbraw/zinc/15/30/24/412153024.db2.gz LVFWXIHHBAIBRE-GHMZBOCLSA-N 1 0 224.348 1.810 10 0 BDAERO CC[C@H]([NH2+][C@@H](C)C(=O)NCCCOC)C(C)C ZINC000042588996 171536311 /nfs/dbraw/zinc/53/63/11/171536311.db2.gz OQVRIVAXLVYLBV-RYUDHWBXSA-N 1 0 244.379 1.552 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000662666932 412265117 /nfs/dbraw/zinc/26/51/17/412265117.db2.gz PZSVEBKIPWAEMX-WOPDTQHZSA-N 1 0 242.363 1.434 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](CCF)C1 ZINC000662686877 412270798 /nfs/dbraw/zinc/27/07/98/412270798.db2.gz BKFVNFMWNYIZOB-ZJUUUORDSA-N 1 0 216.300 1.193 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1=CCCC1 ZINC000662707258 412278303 /nfs/dbraw/zinc/27/83/03/412278303.db2.gz IAZUMHDULRQRHE-GXSJLCMTSA-N 1 0 210.321 1.586 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCc1cccnc1 ZINC000132785318 412283749 /nfs/dbraw/zinc/28/37/49/412283749.db2.gz GGWALHLZKPMYGE-OLZOCXBDSA-N 1 0 247.342 1.258 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cccc(OC)c1C ZINC000662559782 412218825 /nfs/dbraw/zinc/21/88/25/412218825.db2.gz FDHBVIUGOKAIFM-VIFPVBQESA-N 1 0 236.315 1.341 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC000662560266 412219081 /nfs/dbraw/zinc/21/90/81/412219081.db2.gz HWUQFTYYASQKTJ-QWRGUYRKSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCCC3(CC3)C2)C[C@H]1[NH3+] ZINC000662571933 412224927 /nfs/dbraw/zinc/22/49/27/412224927.db2.gz TXELHMYPJNIMJA-GRYCIOLGSA-N 1 0 236.359 1.762 10 0 BDAERO CC(NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)(C1CC1)C1CC1 ZINC000662915066 412344938 /nfs/dbraw/zinc/34/49/38/412344938.db2.gz ITVHJXIRIMZRAN-BXKDBHETSA-N 1 0 236.359 1.809 10 0 BDAERO CC[C@]1(C(=O)NCc2ccco2)CCC[NH2+]C1 ZINC000062851693 171711055 /nfs/dbraw/zinc/71/10/55/171711055.db2.gz QVTNYJXPAQQOQE-ZDUSSCGKSA-N 1 0 236.315 1.676 10 0 BDAERO CCCOc1nccnc1NC[C@H](C)[NH2+]C ZINC000630512262 412358763 /nfs/dbraw/zinc/35/87/63/412358763.db2.gz KGBMBXDUFPKVDC-VIFPVBQESA-N 1 0 224.308 1.285 10 0 BDAERO CCCOc1nccnc1N[C@H](C)[C@@H](C)[NH3+] ZINC000630518179 412360543 /nfs/dbraw/zinc/36/05/43/412360543.db2.gz RMIVKRFNRVXGIP-RKDXNWHRSA-N 1 0 224.308 1.413 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000662971112 412360632 /nfs/dbraw/zinc/36/06/32/412360632.db2.gz XVOKHKOLFRKWSY-GFCCVEGCSA-N 1 0 236.319 1.199 10 0 BDAERO CC[C@H](C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662979631 412362511 /nfs/dbraw/zinc/36/25/11/412362511.db2.gz WRQCUYDODBNXJK-NKWVEPMBSA-N 1 0 226.242 1.381 10 0 BDAERO CC(C)[C@@H](C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662982579 412362533 /nfs/dbraw/zinc/36/25/33/412362533.db2.gz WDOXEAGDUDHBFU-HTQZYQBOSA-N 1 0 240.269 1.627 10 0 BDAERO C[C@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)C1CC1 ZINC000662985419 412362696 /nfs/dbraw/zinc/36/26/96/412362696.db2.gz XOWDSBDWTICXCJ-POYBYMJQSA-N 1 0 238.253 1.381 10 0 BDAERO CN(C(=O)[C@H]1CC1(C)C)[C@H](C[NH3+])C(F)(F)F ZINC000662985501 412363227 /nfs/dbraw/zinc/36/32/27/412363227.db2.gz WFTMLTLHVINAFO-RNFRBKRXSA-N 1 0 238.253 1.381 10 0 BDAERO [NH3+]C1(CNc2ncncc2Cl)CCOCC1 ZINC000630524105 412296358 /nfs/dbraw/zinc/29/63/58/412296358.db2.gz HPAVELFSOISQRZ-UHFFFAOYSA-N 1 0 242.710 1.050 10 0 BDAERO CCc1cc(N(CC[NH3+])C2CCCC2)ncn1 ZINC000053706275 171761151 /nfs/dbraw/zinc/76/11/51/171761151.db2.gz FYCWAZBSEYWFBW-UHFFFAOYSA-N 1 0 234.347 1.747 10 0 BDAERO CCc1cc(OC[C@@H]2CCC[NH2+]2)ncn1 ZINC000051866452 171772655 /nfs/dbraw/zinc/77/26/55/171772655.db2.gz PGBRLFHLFAKUSG-JTQLQIEISA-N 1 0 207.277 1.170 10 0 BDAERO CCOc1cc(N[C@@H](C)C[NH2+]C)nc(C)n1 ZINC000663277875 412401357 /nfs/dbraw/zinc/40/13/57/412401357.db2.gz YGQHGWCHVXAWHK-QMMMGPOBSA-N 1 0 224.308 1.204 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]([NH2+]C)C1 ZINC000663270235 412403831 /nfs/dbraw/zinc/40/38/31/412403831.db2.gz IQDUITWFHUUCRC-SNVBAGLBSA-N 1 0 220.320 1.227 10 0 BDAERO CCCc1nccnc1N1CCC[C@H](CC[NH3+])C1 ZINC000663272670 412404372 /nfs/dbraw/zinc/40/43/72/412404372.db2.gz QUXKJEOSFMZSBS-GFCCVEGCSA-N 1 0 248.374 1.994 10 0 BDAERO CCCc1nccnc1N[C@H](C)CC[NH3+] ZINC000663272930 412404392 /nfs/dbraw/zinc/40/43/92/412404392.db2.gz SUNUNDAPNYJAHB-SECBINFHSA-N 1 0 208.309 1.578 10 0 BDAERO Cc1cccc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663273698 412404657 /nfs/dbraw/zinc/40/46/57/412404657.db2.gz FAFKVRYPKKLSME-UHFFFAOYSA-N 1 0 203.289 1.554 10 0 BDAERO CC(C)[C@H]([NH3+])CCNc1ccnc(N(C)C)n1 ZINC000663275927 412405197 /nfs/dbraw/zinc/40/51/97/412405197.db2.gz GYXQYSJBLJOBKQ-SNVBAGLBSA-N 1 0 237.351 1.328 10 0 BDAERO Cc1cc2c(NCC[C@@H]([NH3+])C(C)C)nccn2n1 ZINC000663275054 412405209 /nfs/dbraw/zinc/40/52/09/412405209.db2.gz BAHWMMPKMPTWPE-LLVKDONJSA-N 1 0 247.346 1.823 10 0 BDAERO CCCc1nccnc1NCC12CC(C1)C[NH2+]2 ZINC000663275818 412405370 /nfs/dbraw/zinc/40/53/70/412405370.db2.gz PZNUPDUUPVYIGP-UHFFFAOYSA-N 1 0 232.331 1.593 10 0 BDAERO CCCc1nccnc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000663274862 412405476 /nfs/dbraw/zinc/40/54/76/412405476.db2.gz QNBWSLPGCLPHTL-NWDGAFQWSA-N 1 0 246.358 1.617 10 0 BDAERO CCCc1nccnc1N[C@@H](C)C[NH2+]C ZINC000663277141 412406422 /nfs/dbraw/zinc/40/64/22/412406422.db2.gz KALZHJBZIGYGEJ-VIFPVBQESA-N 1 0 208.309 1.449 10 0 BDAERO Cc1nnc(NCC[C@@H]([NH3+])C(C)C)s1 ZINC000663276488 412406456 /nfs/dbraw/zinc/40/64/56/412406456.db2.gz ZQWYQDQJKZDCMC-MRVPVSSYSA-N 1 0 214.338 1.632 10 0 BDAERO CCn1ccnc(NCC[C@@H]([NH3+])C(C)C)c1=O ZINC000663276377 412406959 /nfs/dbraw/zinc/40/69/59/412406959.db2.gz UWCSEJHEGJMVDB-SNVBAGLBSA-N 1 0 238.335 1.049 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nc(C(C)C)ns1 ZINC000663279329 412408183 /nfs/dbraw/zinc/40/81/83/412408183.db2.gz QFIIEQQIOYLYFL-SSDOTTSWSA-N 1 0 214.338 1.681 10 0 BDAERO CCc1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000057520925 171803725 /nfs/dbraw/zinc/80/37/25/171803725.db2.gz RMLKDDUDHFWZTP-CYBMUJFWSA-N 1 0 232.327 1.617 10 0 BDAERO CCc1ccccc1[C@@H]1C[C@@]1(C[NH3+])CO ZINC000070500592 171892386 /nfs/dbraw/zinc/89/23/86/171892386.db2.gz JWYAUCODAGBFNU-QWHCGFSZSA-N 1 0 205.301 1.674 10 0 BDAERO CCc1nc(CC[NH3+])nn1-c1cccc(C)c1 ZINC000049455080 171969243 /nfs/dbraw/zinc/96/92/43/171969243.db2.gz ZIEFJNQMFXDPCE-UHFFFAOYSA-N 1 0 230.315 1.639 10 0 BDAERO CCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](C)CC)CC2 ZINC000120541027 172015173 /nfs/dbraw/zinc/01/51/73/172015173.db2.gz OABIDCYDPMWBQG-QWRGUYRKSA-N 1 0 236.363 1.791 10 0 BDAERO CCc1nccn1Cc1cc(C[NH3+])ccc1OC ZINC000016942096 172028436 /nfs/dbraw/zinc/02/84/36/172028436.db2.gz NZBCPDAVSAHZAU-UHFFFAOYSA-N 1 0 245.326 1.961 10 0 BDAERO CCc1nnc2n1C[C@H]([NH2+]C(C)C)CC2 ZINC000375834464 172069078 /nfs/dbraw/zinc/06/90/78/172069078.db2.gz XYXKLOXOJBUURF-SECBINFHSA-N 1 0 208.309 1.153 10 0 BDAERO CCc1nsc(N2CC[C@H](C)C[C@@H]2C[NH3+])n1 ZINC000234169055 172104785 /nfs/dbraw/zinc/10/47/85/172104785.db2.gz ZBFROFDEZBDJQI-DTWKUNHWSA-N 1 0 240.376 1.664 10 0 BDAERO CCn1c(C)nnc1CC[C@H]1CCCC[NH2+]1 ZINC000050929683 172139126 /nfs/dbraw/zinc/13/91/26/172139126.db2.gz KEEWKIHXQVGPTO-LLVKDONJSA-N 1 0 222.336 1.681 10 0 BDAERO CCn1c(C)nnc1[C@]1([NH3+])CCC[C@@H](C)C1 ZINC000042029712 172142077 /nfs/dbraw/zinc/14/20/77/172142077.db2.gz ILYJHTOJEWXMDT-SKDRFNHKSA-N 1 0 222.336 1.971 10 0 BDAERO CCn1c(C)nnc1[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070501956 172142100 /nfs/dbraw/zinc/14/21/00/172142100.db2.gz FDWDBJPIVLTFHG-ZJUUUORDSA-N 1 0 208.309 1.591 10 0 BDAERO CCn1c(C[C@@H]2COCC[NH2+]2)nc2ccccc21 ZINC000076167452 172144185 /nfs/dbraw/zinc/14/41/85/172144185.db2.gz LPHRZSWIKFYZKR-LLVKDONJSA-N 1 0 245.326 1.587 10 0 BDAERO CCn1c(N)[nH+]c2cc(OC)c(OC)cc21 ZINC000075415211 172146074 /nfs/dbraw/zinc/14/60/74/172146074.db2.gz UZZJDVQLNSZSIK-UHFFFAOYSA-N 1 0 221.260 1.656 10 0 BDAERO CCn1cc(C[NH2+][C@@H]2CCCCC[C@@H]2O)cn1 ZINC000135707955 172173232 /nfs/dbraw/zinc/17/32/32/172173232.db2.gz PGGUDOHGWBHRDV-OLZOCXBDSA-N 1 0 237.347 1.686 10 0 BDAERO CCn1cc(C[NH2+][C@@H]2CN3CCC2CC3)cn1 ZINC000050539451 172173526 /nfs/dbraw/zinc/17/35/26/172173526.db2.gz YWPGXIWCMVATMP-CYBMUJFWSA-N 1 0 234.347 1.087 10 0 BDAERO CCn1cc(C[C@@H](C[C@H]2CCCO2)[NH2+]C)cn1 ZINC000050542719 172176683 /nfs/dbraw/zinc/17/66/83/172176683.db2.gz XDXGLONXBZTOBP-QWHCGFSZSA-N 1 0 237.347 1.603 10 0 BDAERO CCn1cc(N2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000049711245 172178448 /nfs/dbraw/zinc/17/84/48/172178448.db2.gz WOPXSISWHXGNGI-VHSXEESVSA-N 1 0 208.309 1.219 10 0 BDAERO CCn1cc([C@H]([NH2+]C)c2cc(C)ccn2)cn1 ZINC000104414296 172198969 /nfs/dbraw/zinc/19/89/69/172198969.db2.gz JETQMYGYOGXEGO-ZDUSSCGKSA-N 1 0 230.315 1.915 10 0 BDAERO CCn1cc([C@H]([NH3+])c2ccccc2)cn1 ZINC000043469232 172199178 /nfs/dbraw/zinc/19/91/78/172199178.db2.gz SPJFWMCGIJYOSM-GFCCVEGCSA-N 1 0 201.273 1.951 10 0 BDAERO CCn1cc([C@H]([NH3+])Cc2csc(C)n2)cn1 ZINC000055294789 172199743 /nfs/dbraw/zinc/19/97/43/172199743.db2.gz FUMUNVZVXYIVCC-LLVKDONJSA-N 1 0 236.344 1.910 10 0 BDAERO CCn1cccc1C[NH2+]C[C@](C)(O)CCOC ZINC000230205961 172207105 /nfs/dbraw/zinc/20/71/05/172207105.db2.gz WAHMXOVDSYJIKH-CYBMUJFWSA-N 1 0 240.347 1.385 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@](C)(O)CCOC ZINC000230205956 172207667 /nfs/dbraw/zinc/20/76/67/172207667.db2.gz WAHMXOVDSYJIKH-ZDUSSCGKSA-N 1 0 240.347 1.385 10 0 BDAERO CCn1cccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087790561 172208703 /nfs/dbraw/zinc/20/87/03/172208703.db2.gz ODGRJKMPAHBJNF-UPJWGTAASA-N 1 0 220.316 1.918 10 0 BDAERO CCn1cccc1CN[C@@H](C)CC[NH+](C)C ZINC000085609254 172209787 /nfs/dbraw/zinc/20/97/87/172209787.db2.gz JZCKIGVJKWCGMA-LBPRGKRZSA-N 1 0 223.364 1.938 10 0 BDAERO CCn1ccnc1Cn1ccnc1C[NH2+]C1CC1 ZINC000054743866 172225530 /nfs/dbraw/zinc/22/55/30/172225530.db2.gz ZIBXMWZLOBPUKM-UHFFFAOYSA-N 1 0 245.330 1.400 10 0 BDAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCF)C1 ZINC000125921158 172239345 /nfs/dbraw/zinc/23/93/45/172239345.db2.gz OAKZMGGWYALNMN-LLVKDONJSA-N 1 0 240.326 1.837 10 0 BDAERO CCn1cnnc1[C@H]1CCC[N@H+](CCCF)C1 ZINC000125921349 172239499 /nfs/dbraw/zinc/23/94/99/172239499.db2.gz OAKZMGGWYALNMN-NSHDSACASA-N 1 0 240.326 1.837 10 0 BDAERO CN(C(=O)CC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000050940768 172305071 /nfs/dbraw/zinc/30/50/71/172305071.db2.gz DTXGAUBGHFMQOJ-LBPRGKRZSA-N 1 0 247.342 1.967 10 0 BDAERO CN(C(=O)C[NH3+])c1ccc(Cl)cc1Cl ZINC000020262084 172308896 /nfs/dbraw/zinc/30/88/96/172308896.db2.gz CFJAETYADUMKGV-UHFFFAOYSA-N 1 0 233.098 1.915 10 0 BDAERO CN(C)C(=O)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336779384 172360967 /nfs/dbraw/zinc/36/09/67/172360967.db2.gz OCHQEWHJVOQNTC-WDEREUQCSA-N 1 0 230.327 1.583 10 0 BDAERO CN(C)C(=O)C[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627403 172369850 /nfs/dbraw/zinc/36/98/50/172369850.db2.gz MDKDXICWXUMLPG-UHFFFAOYSA-N 1 0 238.356 1.415 10 0 BDAERO CN(C)C(=O)C[NH2+]CCc1ccccc1F ZINC000020047625 172370760 /nfs/dbraw/zinc/37/07/60/172370760.db2.gz VUIHVEHBAPMRGP-UHFFFAOYSA-N 1 0 224.279 1.046 10 0 BDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000172072057 172385784 /nfs/dbraw/zinc/38/57/84/172385784.db2.gz YPDDFZPPBXMWOC-CYBMUJFWSA-N 1 0 247.342 1.177 10 0 BDAERO CN(C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083252265 172464655 /nfs/dbraw/zinc/46/46/55/172464655.db2.gz JIOGDJHCQLXBKZ-UHFFFAOYSA-N 1 0 217.316 1.819 10 0 BDAERO C[NH+](C)C[C@H]1CCCN1c1ccccc1CO ZINC000061645467 172495197 /nfs/dbraw/zinc/49/51/97/172495197.db2.gz KASSRKRZOXTGBX-CYBMUJFWSA-N 1 0 234.343 1.709 10 0 BDAERO CN(CC(=O)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000095070695 172620115 /nfs/dbraw/zinc/62/01/15/172620115.db2.gz VARMOFPGEPWBLQ-SECBINFHSA-N 1 0 224.329 1.225 10 0 BDAERO CN(Cc1ccc(F)cc1)C(C)(C)C[NH3+] ZINC000020226817 172852248 /nfs/dbraw/zinc/85/22/48/172852248.db2.gz JCZPMRPCRHPHBD-UHFFFAOYSA-N 1 0 210.296 1.995 10 0 BDAERO CN(Cc1ccnc(Cl)n1)[C@H]1CCC[NH2+]C1 ZINC000095070735 172896893 /nfs/dbraw/zinc/89/68/93/172896893.db2.gz RGDZPMFTIHBYAI-JTQLQIEISA-N 1 0 240.738 1.314 10 0 BDAERO CN(c1cccc(C[NH3+])n1)C1CCCC1 ZINC000051396614 172948518 /nfs/dbraw/zinc/94/85/18/172948518.db2.gz QOTFNEWBMHDQHW-UHFFFAOYSA-N 1 0 205.305 1.919 10 0 BDAERO CN1C(=O)C[C@@H]([NH2+]C2(C)CCCCC2)C1=O ZINC000045043734 172963334 /nfs/dbraw/zinc/96/33/34/172963334.db2.gz ASYYYRFHQHHWSC-SECBINFHSA-N 1 0 224.304 1.056 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CNc1ccc(N)cn1 ZINC000044563717 173005395 /nfs/dbraw/zinc/00/53/95/173005395.db2.gz WVEMCVKMZMZMQB-LLVKDONJSA-N 1 0 220.320 1.560 10 0 BDAERO CN1CCCC[C@@H]1c1nnc(CCC[NH3+])o1 ZINC000095828883 173007247 /nfs/dbraw/zinc/00/72/47/173007247.db2.gz UBJYQLMNAJPRLL-SECBINFHSA-N 1 0 224.308 1.118 10 0 BDAERO C[N@@H+]1CCCC[C@H]1C1=NO[C@H]2NCCCC=C12 ZINC000038805221 173007564 /nfs/dbraw/zinc/00/75/64/173007564.db2.gz NAJXCLWLRGXTNF-WCQYABFASA-N 1 0 235.331 1.493 10 0 BDAERO C[N@@H+]1CCCN(c2ccc(F)cc2N)CC1 ZINC000020217467 173015927 /nfs/dbraw/zinc/01/59/27/173015927.db2.gz ZJZKPLJMFSRJRL-UHFFFAOYSA-N 1 0 223.295 1.550 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ccc(N)cc2F)C1 ZINC000040715745 173020018 /nfs/dbraw/zinc/02/00/18/173020018.db2.gz TVLFYGMNTRYUMA-SNVBAGLBSA-N 1 0 223.295 1.914 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2cccc(F)c2N)C1 ZINC000040715809 173020587 /nfs/dbraw/zinc/02/05/87/173020587.db2.gz JBXBZPDPTMXSLC-SECBINFHSA-N 1 0 223.295 1.914 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ccnc(Cl)n2)C1 ZINC000051849655 173023200 /nfs/dbraw/zinc/02/32/00/173023200.db2.gz IURSNVRUEJOQGB-MRVPVSSYSA-N 1 0 226.711 1.636 10 0 BDAERO C[NH+]1CCN(c2cc3ccccc3[nH]2)CC1 ZINC000039109610 173095062 /nfs/dbraw/zinc/09/50/62/173095062.db2.gz PGLOVFTXIYIURT-UHFFFAOYSA-N 1 0 215.300 1.920 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@H]2CCC23CCC3)C1 ZINC000335596484 173102059 /nfs/dbraw/zinc/10/20/59/173102059.db2.gz OPJLQIBJALFXIB-RYUDHWBXSA-N 1 0 224.348 1.239 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccco1 ZINC000112826864 173111437 /nfs/dbraw/zinc/11/14/37/173111437.db2.gz RYEVJTCOXHXWRR-SNVBAGLBSA-N 1 0 222.288 1.303 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2ccnc(Cl)n2)C1 ZINC000051849619 173117314 /nfs/dbraw/zinc/11/73/14/173117314.db2.gz JEFRCIAOVBXQRW-QMMMGPOBSA-N 1 0 226.711 1.494 10 0 BDAERO Cn1c(Cl)cnc1CNC[C@@H]1CC[N@H+](C)C1 ZINC000037485042 173117798 /nfs/dbraw/zinc/11/77/98/173117798.db2.gz KITNGDPWEDUUMZ-VIFPVBQESA-N 1 0 242.754 1.115 10 0 BDAERO C[N@@H+]1CC[C@@](O)(c2cnc3ccccc3c2)C1 ZINC000061987471 173137527 /nfs/dbraw/zinc/13/75/27/173137527.db2.gz UDQXPRDHENCUAG-AWEZNQCLSA-N 1 0 228.295 1.758 10 0 BDAERO C[N@@H+]1CC[C@H](C(=O)Nc2cc(N)ccc2F)C1 ZINC000037758697 173141448 /nfs/dbraw/zinc/14/14/48/173141448.db2.gz BUFROCWWGHUQDN-QMMMGPOBSA-N 1 0 237.278 1.298 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)c1cncc(Cl)n1 ZINC000070823814 173142898 /nfs/dbraw/zinc/14/28/98/173142898.db2.gz DGZCGISPFNSQQH-VIFPVBQESA-N 1 0 240.738 1.518 10 0 BDAERO C[N@@H+]1CC[C@H](CNCc2cscn2)C1 ZINC000040505203 173147597 /nfs/dbraw/zinc/14/75/97/173147597.db2.gz AJSPUYYJGPSUHH-SECBINFHSA-N 1 0 211.334 1.184 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2c(F)cc(N)cc2F)C1 ZINC000038040208 173147817 /nfs/dbraw/zinc/14/78/17/173147817.db2.gz NWUHKQSJFZKAAG-MRVPVSSYSA-N 1 0 241.285 1.911 10 0 BDAERO C[N@@H+]1CC[C@](CO)(Nc2ccccc2)C1 ZINC000061992097 173162577 /nfs/dbraw/zinc/16/25/77/173162577.db2.gz CFDUAAIIABGMBZ-LBPRGKRZSA-N 1 0 206.289 1.165 10 0 BDAERO CNC(=[NH2+])N1CC[C@@H](c2ccccc2)C1 ZINC000052019156 173209738 /nfs/dbraw/zinc/20/97/38/173209738.db2.gz IAFIVDULZZEKFX-LLVKDONJSA-N 1 0 203.289 1.630 10 0 BDAERO CNC(=O)CCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000051757493 173261791 /nfs/dbraw/zinc/26/17/91/173261791.db2.gz KAGMXIGGNYIXFD-CYBMUJFWSA-N 1 0 248.326 1.538 10 0 BDAERO CNC(=O)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000037224746 173277957 /nfs/dbraw/zinc/27/79/57/173277957.db2.gz NFHURVLWXLUQLS-LLVKDONJSA-N 1 0 220.316 1.700 10 0 BDAERO CNC(=O)C[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000041226572 173281385 /nfs/dbraw/zinc/28/13/85/173281385.db2.gz JHCFIFQRFODSFR-SECBINFHSA-N 1 0 212.680 1.476 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000042560260 173295114 /nfs/dbraw/zinc/29/51/14/173295114.db2.gz WQBKMAKJVIDVSL-DTWKUNHWSA-N 1 0 222.288 1.177 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000044386213 173295666 /nfs/dbraw/zinc/29/56/66/173295666.db2.gz LRHRXATXXKQRIN-RKDXNWHRSA-N 1 0 224.304 1.682 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1scnc1C ZINC000042562095 173303574 /nfs/dbraw/zinc/30/35/74/173303574.db2.gz UMQQLFFKSNCZEP-YUMQZZPRSA-N 1 0 227.333 1.237 10 0 BDAERO CNC(=O)c1cccc(OC2CC2)c1C[NH3+] ZINC000095737622 173312029 /nfs/dbraw/zinc/31/20/29/173312029.db2.gz NQYOWWFZARUDNE-UHFFFAOYSA-N 1 0 220.272 1.046 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000061300223 173318173 /nfs/dbraw/zinc/31/81/73/173318173.db2.gz JQGXYMVQRVAAME-NXEZZACHSA-N 1 0 212.337 1.489 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1cccc(Cl)c1 ZINC000061300432 173318464 /nfs/dbraw/zinc/31/84/64/173318464.db2.gz ZOZBFZAMCRXSHF-UHFFFAOYSA-N 1 0 240.734 1.954 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@]1(CO)CCC[C@H](C)C1 ZINC000061319322 173318616 /nfs/dbraw/zinc/31/86/16/173318616.db2.gz SVEDIWRZKUDTAC-GWCFXTLKSA-N 1 0 242.363 1.042 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CC[C@H](C)C[C@@H]1C ZINC000061319241 173318710 /nfs/dbraw/zinc/31/87/10/173318710.db2.gz VVESMFAZTJTWOT-UWVGGRQHSA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cc(C)ccc1OC ZINC000061300144 173318714 /nfs/dbraw/zinc/31/87/14/173318714.db2.gz MGIRLWODBCYAPZ-UHFFFAOYSA-N 1 0 236.315 1.940 10 0 BDAERO CNC1(c2nc(C)cs2)CC[NH2+]CC1 ZINC000041060552 173321984 /nfs/dbraw/zinc/32/19/84/173321984.db2.gz SWNDNCCAKKPZAT-UHFFFAOYSA-N 1 0 211.334 1.250 10 0 BDAERO C[NH2+]C1CCC(NC(=O)NC(C)C)CC1 ZINC000036880921 173322168 /nfs/dbraw/zinc/32/21/68/173322168.db2.gz OBPPHCLLJULKJD-UHFFFAOYSA-N 1 0 213.325 1.225 10 0 BDAERO C[NH2+]C1CCN(Cc2ccnc(Cl)n2)CC1 ZINC000095071577 173322480 /nfs/dbraw/zinc/32/24/80/173322480.db2.gz KEGHASFPUJRUFL-UHFFFAOYSA-N 1 0 240.738 1.314 10 0 BDAERO C[NH2+]CC(=O)N1CCCCC[C@H]1c1cccn1C ZINC000037801932 173326625 /nfs/dbraw/zinc/32/66/25/173326625.db2.gz ZGIIWHOSYQMNDF-ZDUSSCGKSA-N 1 0 249.358 1.688 10 0 BDAERO C[NH2+]CC(=O)c1cc(C)c(N)c(Cl)c1 ZINC000075622256 173334843 /nfs/dbraw/zinc/33/48/43/173334843.db2.gz RGXLYHBNWPMGJR-UHFFFAOYSA-N 1 0 212.680 1.633 10 0 BDAERO C[NH2+]CC(=O)c1ccc2c(c1)CCCC2 ZINC000041211826 173336179 /nfs/dbraw/zinc/33/61/79/173336179.db2.gz DGURZVJZMAKHGG-UHFFFAOYSA-N 1 0 203.285 1.968 10 0 BDAERO C[NH2+]CC1CCN(c2ncccc2C)CC1 ZINC000053664023 173338582 /nfs/dbraw/zinc/33/85/82/173338582.db2.gz BOIWOHBNIZIBNM-UHFFFAOYSA-N 1 0 219.332 1.826 10 0 BDAERO C[NH2+]CC1CCN(c2ccc(C)nn2)CC1 ZINC000053664170 173338808 /nfs/dbraw/zinc/33/88/08/173338808.db2.gz AHJUGPRJELFLKE-UHFFFAOYSA-N 1 0 220.320 1.221 10 0 BDAERO C[NH2+]CCC(=O)Nc1cccc2ncccc21 ZINC000043599707 173342083 /nfs/dbraw/zinc/34/20/83/173342083.db2.gz HDVPQWXPDACFHY-UHFFFAOYSA-N 1 0 229.283 1.783 10 0 BDAERO C[NH2+]CCCC(=O)N(CC(F)(F)F)C(C)C ZINC000037813510 173342643 /nfs/dbraw/zinc/34/26/43/173342643.db2.gz COSWMFDZOXCKSN-UHFFFAOYSA-N 1 0 240.269 1.785 10 0 BDAERO C[NH2+]CCCc1nc2c(cccc2F)[nH]1 ZINC000037442443 173350444 /nfs/dbraw/zinc/35/04/44/173350444.db2.gz QHKMSKFYUZGWHP-UHFFFAOYSA-N 1 0 207.252 1.854 10 0 BDAERO C[NH2+]CCOCCc1ccc2c(c1)CCC2 ZINC000077329299 173356683 /nfs/dbraw/zinc/35/66/83/173356683.db2.gz HXXLBASUUKGSFI-UHFFFAOYSA-N 1 0 219.328 1.954 10 0 BDAERO C[NH2+]CCOc1cc2ccccc2c(=O)[nH]1 ZINC000051866578 173357512 /nfs/dbraw/zinc/35/75/12/173357512.db2.gz WVWGWYIEVOKASM-UHFFFAOYSA-N 1 0 218.256 1.126 10 0 BDAERO C[NH2+]CCc1cc(OC)c(OC)cc1OC ZINC000082954703 173359943 /nfs/dbraw/zinc/35/99/43/173359943.db2.gz RBBJCGHYYUVHKI-UHFFFAOYSA-N 1 0 225.288 1.474 10 0 BDAERO C[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000020220263 173360167 /nfs/dbraw/zinc/36/01/67/173360167.db2.gz UVARVJJXBDZCMP-UHFFFAOYSA-N 1 0 201.273 1.634 10 0 BDAERO C[NH2+]CCc1csc(C(F)(F)F)n1 ZINC000083289601 173360295 /nfs/dbraw/zinc/36/02/95/173360295.db2.gz OGQZZAQDVJZOEC-UHFFFAOYSA-N 1 0 210.224 1.924 10 0 BDAERO C[NH2+]CCc1nc(-c2ccccc2)n[nH]1 ZINC000043599120 173361300 /nfs/dbraw/zinc/36/13/00/173361300.db2.gz ZOXXUCZBBXCMKA-UHFFFAOYSA-N 1 0 202.261 1.234 10 0 BDAERO C[NH2+]CCc1nnc(-c2cc(C)oc2C)o1 ZINC000050619658 173361664 /nfs/dbraw/zinc/36/16/64/173361664.db2.gz ZTJVSVONJKPTLQ-UHFFFAOYSA-N 1 0 221.260 1.708 10 0 BDAERO C[NH2+]CCc1noc(Cc2ccc(C)cc2)n1 ZINC000051850902 173361875 /nfs/dbraw/zinc/36/18/75/173361875.db2.gz ICGPUEOWWQDJEF-UHFFFAOYSA-N 1 0 231.299 1.731 10 0 BDAERO C[NH2+]CCc1nnc(-c2ncccc2C)o1 ZINC000051813816 173361945 /nfs/dbraw/zinc/36/19/45/173361945.db2.gz UZRCZPIGYRFZII-UHFFFAOYSA-N 1 0 218.260 1.202 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)N(C)CCc1ccccn1 ZINC000052423718 173362145 /nfs/dbraw/zinc/36/21/45/173362145.db2.gz MRORNEXWUQPZTH-AWEZNQCLSA-N 1 0 235.375 1.800 10 0 BDAERO C[NH2+]C[C@@H](C)Sc1nnc2ccccn21 ZINC000061408780 173364671 /nfs/dbraw/zinc/36/46/71/173364671.db2.gz OMVSUDYWEPTUJZ-MRVPVSSYSA-N 1 0 222.317 1.429 10 0 BDAERO C[NH2+]C[C@@H](O)CN1CCc2sccc2[C@@H]1C ZINC000042747038 173364889 /nfs/dbraw/zinc/36/48/89/173364889.db2.gz IWOMURIBLODSLD-VHSXEESVSA-N 1 0 240.372 1.248 10 0 BDAERO C[NH2+]C[C@@H](C)NC(=O)OCc1ccccc1 ZINC000071624097 173364957 /nfs/dbraw/zinc/36/49/57/173364957.db2.gz UXEWTESAMOZBGJ-SNVBAGLBSA-N 1 0 222.288 1.521 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000071536723 173365584 /nfs/dbraw/zinc/36/55/84/173365584.db2.gz WQEBNQIKHUFHPP-JTQLQIEISA-N 1 0 233.233 1.828 10 0 BDAERO C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCCC2 ZINC000033465477 173365898 /nfs/dbraw/zinc/36/58/98/173365898.db2.gz HPSDGSFYFSBYHO-CYBMUJFWSA-N 1 0 235.327 1.525 10 0 BDAERO C[NH2+]C[C@@H]1CC[C@@H](Cn2ncc3ccccc32)O1 ZINC000052574206 173371705 /nfs/dbraw/zinc/37/17/05/173371705.db2.gz UHCCOVSHLPVRRC-STQMWFEESA-N 1 0 245.326 1.803 10 0 BDAERO C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000238853203 173371863 /nfs/dbraw/zinc/37/18/63/173371863.db2.gz IQFHUMHLRZEQCV-BDAKNGLRSA-N 1 0 229.324 1.275 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1cc(F)ccc1F ZINC000036157369 173372249 /nfs/dbraw/zinc/37/22/49/173372249.db2.gz HPWVSQZZPRVTIL-SNVBAGLBSA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+]C[C@H](C)n1nc(C)c(Cl)c1C ZINC000052573997 173376320 /nfs/dbraw/zinc/37/63/20/173376320.db2.gz FPWSAKCWSONAPZ-LURJTMIESA-N 1 0 201.701 1.934 10 0 BDAERO C[NH2+]C[C@H](O)COc1cccc2cccnc21 ZINC000020296900 173377075 /nfs/dbraw/zinc/37/70/75/173377075.db2.gz BRFTXFFLWKPZAY-NSHDSACASA-N 1 0 232.283 1.194 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(Br)s1 ZINC000041268707 173377457 /nfs/dbraw/zinc/37/74/57/173377457.db2.gz ASROCOMDVJORSC-YFKPBYRVSA-N 1 0 236.134 1.763 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1ncccc1C ZINC000053703569 173380546 /nfs/dbraw/zinc/38/05/46/173380546.db2.gz JGONTJHMJRCKIE-LLVKDONJSA-N 1 0 205.305 1.578 10 0 BDAERO C[NH2+]C[C@H]1CCN(Cc2cccc(C)n2)C1 ZINC000053034885 173381533 /nfs/dbraw/zinc/38/15/33/173381533.db2.gz JMKMPGCPQLQIKD-GFCCVEGCSA-N 1 0 219.332 1.431 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc2c(c1)CCO2 ZINC000036155011 173383252 /nfs/dbraw/zinc/38/32/52/173383252.db2.gz SVPXZDRFTWAGKL-LBPRGKRZSA-N 1 0 207.273 1.048 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccccc1Br ZINC000055032667 173383458 /nfs/dbraw/zinc/38/34/58/173383458.db2.gz FSMSHAYBENVTLP-JTQLQIEISA-N 1 0 244.132 1.876 10 0 BDAERO C[NH2+]Cc1c(C)nn([C@@H]2CCC[C@@H]2O)c1C ZINC000054599495 173385067 /nfs/dbraw/zinc/38/50/67/173385067.db2.gz YMXJENCOAZDYSP-NEPJUHHUSA-N 1 0 223.320 1.305 10 0 BDAERO C[NH2+]Cc1cc2ccccc2c(OC)n1 ZINC000051523671 173388254 /nfs/dbraw/zinc/38/82/54/173388254.db2.gz FDGNRSWDFBJOIQ-UHFFFAOYSA-N 1 0 202.257 1.963 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)c2ccon2)c1 ZINC000044587165 173389451 /nfs/dbraw/zinc/38/94/51/173389451.db2.gz GHZHTCSBNCYWCH-UHFFFAOYSA-N 1 0 231.255 1.646 10 0 BDAERO C[NH2+]Cc1cccc(O[C@@H]2CCOC2=O)c1 ZINC000037703889 173389815 /nfs/dbraw/zinc/38/98/15/173389815.db2.gz HGYHSDYCAQAMDC-LLVKDONJSA-N 1 0 221.256 1.100 10 0 BDAERO C[NH2+]Cc1ccoc1CN1CCOC[C@@H]1C ZINC000052475788 173391463 /nfs/dbraw/zinc/39/14/63/173391463.db2.gz CIOFPRCSEDKRLS-JTQLQIEISA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+]Cc1ccnc(Cc2nc(C)cs2)n1 ZINC000055269928 173391486 /nfs/dbraw/zinc/39/14/86/173391486.db2.gz KEPXYNYFUIXDHN-UHFFFAOYSA-N 1 0 234.328 1.552 10 0 BDAERO C[NH2+]Cc1ccnc(N(C)[C@H]2CCSC2)c1 ZINC000051442053 173391596 /nfs/dbraw/zinc/39/15/96/173391596.db2.gz AKYKQNQRPBPJNO-NSHDSACASA-N 1 0 237.372 1.743 10 0 BDAERO C[NH2+]Cc1cccnc1N1CCC[C@@H]1C ZINC000051398759 173391827 /nfs/dbraw/zinc/39/18/27/173391827.db2.gz JLOADSSOGCHIAJ-JTQLQIEISA-N 1 0 205.305 1.790 10 0 BDAERO C[NH2+]Cc1cnc(-c2cnccn2)s1 ZINC000040996590 173392042 /nfs/dbraw/zinc/39/20/42/173392042.db2.gz JLGWRVHDCJIIII-UHFFFAOYSA-N 1 0 206.274 1.320 10 0 BDAERO C[NH2+]Cc1cnc(N(C)[C@@H]2CCSC2)s1 ZINC000054902986 173392197 /nfs/dbraw/zinc/39/21/97/173392197.db2.gz DMVMIXUBFSDXCV-MRVPVSSYSA-N 1 0 243.401 1.804 10 0 BDAERO C[NH2+]Cc1cnc(Cc2nc(C)cs2)nc1 ZINC000055269955 173392237 /nfs/dbraw/zinc/39/22/37/173392237.db2.gz FJZLTQHHRSWEJX-UHFFFAOYSA-N 1 0 234.328 1.552 10 0 BDAERO C[NH2+]Cc1cnn(Cc2cccc(F)c2)c1 ZINC000054719136 173393354 /nfs/dbraw/zinc/39/33/54/173393354.db2.gz JKULULPWJPQABJ-UHFFFAOYSA-N 1 0 219.263 1.790 10 0 BDAERO C[NH2+]Cc1cnn(C[C@H]2CCCCO2)c1 ZINC000054719174 173393610 /nfs/dbraw/zinc/39/36/10/173393610.db2.gz ZVZPFNUGYRQDEE-LLVKDONJSA-N 1 0 209.293 1.172 10 0 BDAERO C[NH2+]Cc1nc(Cn2cnc(C)c2C)cs1 ZINC000052593864 173395113 /nfs/dbraw/zinc/39/51/13/173395113.db2.gz OJYZFNHZNRTXBL-UHFFFAOYSA-N 1 0 236.344 1.724 10 0 BDAERO C[NH2+]Cc1nccn1Cc1ccc(OC)c(F)c1 ZINC000051004603 173397928 /nfs/dbraw/zinc/39/79/28/173397928.db2.gz GUZIMTALKFTZNL-UHFFFAOYSA-N 1 0 249.289 1.799 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H]1CCCC[C@@H]1C ZINC000054745925 173398757 /nfs/dbraw/zinc/39/87/57/173398757.db2.gz TVYFEVVHVMZISK-IUCAKERBSA-N 1 0 209.297 1.144 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc(Cl)cc1F ZINC000054762711 173398801 /nfs/dbraw/zinc/39/88/01/173398801.db2.gz GLFYUEKNUVWRHV-UHFFFAOYSA-N 1 0 241.657 1.174 10 0 BDAERO C[NH2+]Cc1nncn1CCc1ccc(OC)cc1 ZINC000098128267 173398849 /nfs/dbraw/zinc/39/88/49/173398849.db2.gz AVUKCCDYUAMKFA-UHFFFAOYSA-N 1 0 246.314 1.249 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc(OC(C)C)cc1 ZINC000054744348 173398990 /nfs/dbraw/zinc/39/89/90/173398990.db2.gz SZTBQXFSBJOVHT-UHFFFAOYSA-N 1 0 247.302 1.169 10 0 BDAERO C[NH2+]Cc1occc1Cn1nc(C)cc1C ZINC000052575821 173399366 /nfs/dbraw/zinc/39/93/66/173399366.db2.gz GYZNTCHKVBCJLQ-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+][C@@H](CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000061838908 173421514 /nfs/dbraw/zinc/42/15/14/173421514.db2.gz AXXOGZZRYCAZOE-UWVGGRQHSA-N 1 0 233.377 1.445 10 0 BDAERO C[NH2+][C@@H](C1=CCCCCC1)[C@H]1COCCO1 ZINC000055301334 173421801 /nfs/dbraw/zinc/42/18/01/173421801.db2.gz DIAPINXDADGDFB-OLZOCXBDSA-N 1 0 225.332 1.880 10 0 BDAERO C[NH2+][C@@H](Cc1nc(-c2ccncc2)no1)C1CC1 ZINC000104072737 173426668 /nfs/dbraw/zinc/42/66/68/173426668.db2.gz REMDJCKMEXVLCJ-NSHDSACASA-N 1 0 244.298 1.672 10 0 BDAERO C[NH2+][C@H](C)c1ccc(C)cc1O[C@@H]1CCOC1=O ZINC000104342346 173448248 /nfs/dbraw/zinc/44/82/48/173448248.db2.gz FWGLVKVNPTZGOT-ZYHUDNBSSA-N 1 0 249.310 1.970 10 0 BDAERO C[NH2+][C@H](C)c1ccccc1N(CCO)C1CC1 ZINC000042479897 173449446 /nfs/dbraw/zinc/44/94/46/173449446.db2.gz HEWYYEOZFMFAKC-LLVKDONJSA-N 1 0 234.343 1.928 10 0 BDAERO C[NH2+][C@H](c1ccsc1)c1cnn(C)c1 ZINC000035499907 173458940 /nfs/dbraw/zinc/45/89/40/173458940.db2.gz DKUYSLOBJCXSOH-SNVBAGLBSA-N 1 0 207.302 1.790 10 0 BDAERO C[NH2+][C@H]1CCOC[C@H]1Cc1cccc(F)c1 ZINC000095075921 173466699 /nfs/dbraw/zinc/46/66/99/173466699.db2.gz UBYRNKBJHLHKJR-YPMHNXCESA-N 1 0 223.291 1.993 10 0 BDAERO C[NH2+][C@H]1CCOC[C@@H]1Cc1cccc(F)c1 ZINC000095075919 173466802 /nfs/dbraw/zinc/46/68/02/173466802.db2.gz UBYRNKBJHLHKJR-AAEUAGOBSA-N 1 0 223.291 1.993 10 0 BDAERO COC(=O)CC[NH2+]Cc1ccccc1C ZINC000034937630 173561738 /nfs/dbraw/zinc/56/17/38/173561738.db2.gz WUVGJRVGLOOFKM-UHFFFAOYSA-N 1 0 207.273 1.648 10 0 BDAERO COC(=O)CC[NH2+]Cc1cccc(O)c1 ZINC000034961211 173562728 /nfs/dbraw/zinc/56/27/28/173562728.db2.gz LXLNIHUUXSPFJQ-UHFFFAOYSA-N 1 0 209.245 1.045 10 0 BDAERO COC(=O)CSC1CCC([NH3+])CC1 ZINC000055143798 173615702 /nfs/dbraw/zinc/61/57/02/173615702.db2.gz BWRKDCRBQDSDEF-UHFFFAOYSA-N 1 0 203.307 1.163 10 0 BDAERO COC(=O)N(C)Cc1cccc(C[NH3+])c1 ZINC000037034827 173648962 /nfs/dbraw/zinc/64/89/62/173648962.db2.gz ISNMHEFEVXTNHQ-UHFFFAOYSA-N 1 0 208.261 1.344 10 0 BDAERO COC(=O)[C@H]1CC[NH2+][C@@H](CC(C)(C)C)C1 ZINC000259484520 173817246 /nfs/dbraw/zinc/81/72/46/173817246.db2.gz CFNRMWHYONWUOV-VHSXEESVSA-N 1 0 213.321 1.964 10 0 BDAERO COC(=O)[C@H]1C[C@H](C[NH3+])c2ccccc21 ZINC000038363667 173827107 /nfs/dbraw/zinc/82/71/07/173827107.db2.gz VLYNBHYMQUZEDV-KCJUWKMLSA-N 1 0 205.257 1.389 10 0 BDAERO COC(=O)[C@]1(NCC[NH+](C)C)CCCC[C@H]1C ZINC000037964662 173839490 /nfs/dbraw/zinc/83/94/90/173839490.db2.gz HRMZVKUGLXJQSQ-YPMHNXCESA-N 1 0 242.363 1.260 10 0 BDAERO COC(=O)c1ccc(COCC(C)(C)[NH3+])cc1 ZINC000074526252 173879596 /nfs/dbraw/zinc/87/95/96/173879596.db2.gz QUAMWEPMZTZFDM-UHFFFAOYSA-N 1 0 237.299 1.727 10 0 BDAERO COC1CC[NH+](C[C@H](N)C(C)(C)C)CC1 ZINC000037266046 174028102 /nfs/dbraw/zinc/02/81/02/174028102.db2.gz CLTRYWWBXGCUCM-NSHDSACASA-N 1 0 214.353 1.471 10 0 BDAERO COC1CCN(C[C@H]([NH3+])C(C)C)CC1 ZINC000037266510 174028367 /nfs/dbraw/zinc/02/83/67/174028367.db2.gz VQJDCTWNZFKSTP-NSHDSACASA-N 1 0 200.326 1.081 10 0 BDAERO COC1CC[NH+](C2(CN)CCSCC2)CC1 ZINC000042335040 174028605 /nfs/dbraw/zinc/02/86/05/174028605.db2.gz LYUZDSYKYFYDMH-UHFFFAOYSA-N 1 0 244.404 1.322 10 0 BDAERO COC1CCN([C@@H](C[NH3+])c2ccccn2)CC1 ZINC000037265989 174031401 /nfs/dbraw/zinc/03/14/01/174031401.db2.gz XSUVYWPVTFMLQC-ZDUSSCGKSA-N 1 0 235.331 1.192 10 0 BDAERO COCC1(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)CCC1 ZINC000361389074 174105071 /nfs/dbraw/zinc/10/50/71/174105071.db2.gz IGKXKPLTNJHKCJ-GHMZBOCLSA-N 1 0 240.347 1.060 10 0 BDAERO COCCCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309984961 174183091 /nfs/dbraw/zinc/18/30/91/174183091.db2.gz XWSWFJOKILAYGO-WDEREUQCSA-N 1 0 228.336 1.060 10 0 BDAERO COCCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000117879296 174191308 /nfs/dbraw/zinc/19/13/08/174191308.db2.gz CRNRTGKANBYSGZ-JTQLQIEISA-N 1 0 203.351 1.850 10 0 BDAERO COCCCC[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000117880047 174192112 /nfs/dbraw/zinc/19/21/12/174192112.db2.gz LKWIERDOTUCIMP-ZDUSSCGKSA-N 1 0 244.379 1.066 10 0 BDAERO COCCC[N@H+](C)[C@@H]1CNc2ccccc2C1 ZINC000062032012 174220660 /nfs/dbraw/zinc/22/06/60/174220660.db2.gz CPRRSPPTFJJIQV-ZDUSSCGKSA-N 1 0 234.343 1.992 10 0 BDAERO COCCC[N@H+](CCOC)[C@@H]1CCCCC1=O ZINC000042423530 174226599 /nfs/dbraw/zinc/22/65/99/174226599.db2.gz FZBWVTJZPULNIH-GFCCVEGCSA-N 1 0 243.347 1.483 10 0 BDAERO COCCN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000054308017 174268112 /nfs/dbraw/zinc/26/81/12/174268112.db2.gz YFJIYHMKYKJKPG-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO COCCN(C(=O)[C@H]1CCC[NH2+]1)[C@H](C)C1CC1 ZINC000037814688 174269453 /nfs/dbraw/zinc/26/94/53/174269453.db2.gz AFNJJPPCUBRVEK-ZYHUDNBSSA-N 1 0 240.347 1.012 10 0 BDAERO COCCN(C(=O)[C@H]([NH3+])C(C)C)[C@H](C)C1CC1 ZINC000037814710 174269728 /nfs/dbraw/zinc/26/97/28/174269728.db2.gz AHCLMTVMPVDPIC-ZYHUDNBSSA-N 1 0 242.363 1.243 10 0 BDAERO COCCN(C)[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042915070 174281902 /nfs/dbraw/zinc/28/19/02/174281902.db2.gz DZIWEKMVLCZCQO-GXFFZTMASA-N 1 0 240.322 1.792 10 0 BDAERO COCC[N@H+](C)[C@@H]1CNc2ccccc2C1 ZINC000042459414 174282682 /nfs/dbraw/zinc/28/26/82/174282682.db2.gz LOEUJEQHZYOFDQ-LBPRGKRZSA-N 1 0 220.316 1.601 10 0 BDAERO COCCN(C)[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966996 174283967 /nfs/dbraw/zinc/28/39/67/174283967.db2.gz GSCQXZZOGRFDJA-OCCSQVGLSA-N 1 0 236.359 1.962 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CC1(C)C ZINC000225811289 487628357 /nfs/dbraw/zinc/62/83/57/487628357.db2.gz ZOCHKBTVIFWYNW-NXEZZACHSA-N 1 0 212.337 1.522 10 0 BDAERO COCC[N@H+](CC(C)C)C[C@H](C)C(=O)OC ZINC000042369836 174287191 /nfs/dbraw/zinc/28/71/91/174287191.db2.gz QKCANZUQSPOFIO-NSHDSACASA-N 1 0 231.336 1.400 10 0 BDAERO COCCN(CC(C)C)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037809136 174287760 /nfs/dbraw/zinc/28/77/60/174287760.db2.gz GQQFXCBELVZAMK-ZDUSSCGKSA-N 1 0 242.363 1.245 10 0 BDAERO COCC[N@H+](CCCCC(C)=O)[C@@H](C)COC ZINC000042608805 174291108 /nfs/dbraw/zinc/29/11/08/174291108.db2.gz JQKGJWXGQONMDV-LBPRGKRZSA-N 1 0 245.363 1.729 10 0 BDAERO COCCN(c1ccc(C[NH3+])cn1)[C@H](C)C1CC1 ZINC000042613781 174301866 /nfs/dbraw/zinc/30/18/66/174301866.db2.gz ZCNXTPYCGDTTDO-LLVKDONJSA-N 1 0 249.358 1.792 10 0 BDAERO COCCN([C@@H](C)COC)[C@H](C[NH3+])CC(C)C ZINC000042603346 174302160 /nfs/dbraw/zinc/30/21/60/174302160.db2.gz OKURSCIAVLFVFC-STQMWFEESA-N 1 0 246.395 1.343 10 0 BDAERO COCCN([C@@H](C)COC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042607148 174302223 /nfs/dbraw/zinc/30/22/23/174302223.db2.gz RPWRTSRMAVMUOO-RWMBFGLXSA-N 1 0 244.379 1.240 10 0 BDAERO COCCN1C[C@H](C)[NH2+]C[C@H]1Cc1ccccc1 ZINC000062623352 174318505 /nfs/dbraw/zinc/31/85/05/174318505.db2.gz CBYRAZZCOGJTDF-DZGCQCFKSA-N 1 0 248.370 1.538 10 0 BDAERO COCC[NH2+]CCCOc1ccc(C)cc1 ZINC000041582302 174332114 /nfs/dbraw/zinc/33/21/14/174332114.db2.gz CFTSONXXAWCXQS-UHFFFAOYSA-N 1 0 223.316 2.000 10 0 BDAERO COCC[NH2+]C[C@@H](C)N(C)Cc1cccnc1 ZINC000053491459 174333392 /nfs/dbraw/zinc/33/33/92/174333392.db2.gz YEBBTHLJCOJLKL-GFCCVEGCSA-N 1 0 237.347 1.138 10 0 BDAERO COCC[NH2+]C[C@@H](O)COC1CCC(C)CC1 ZINC000037849374 174333664 /nfs/dbraw/zinc/33/36/64/174333664.db2.gz CGCUTZZXDBPMOE-OTTFEQOBSA-N 1 0 245.363 1.179 10 0 BDAERO COCC[NH2+]C[C@@](C)(O)c1ccc(OC)cc1 ZINC000033468611 174334356 /nfs/dbraw/zinc/33/43/56/174334356.db2.gz JPMRFCOUMJWWML-CYBMUJFWSA-N 1 0 239.315 1.139 10 0 BDAERO COCC[NH2+]C[C@H](O)c1ccc(Cl)c(N)c1 ZINC000098126786 174335116 /nfs/dbraw/zinc/33/51/16/174335116.db2.gz KVRDZRQOFFQHJP-NSHDSACASA-N 1 0 244.722 1.192 10 0 BDAERO COCC[NH2+][C@H]1COc2cc(O)ccc21 ZINC000019881675 174340302 /nfs/dbraw/zinc/34/03/02/174340302.db2.gz KCVYXDANVQVYJO-JTQLQIEISA-N 1 0 209.245 1.062 10 0 BDAERO COCCOC[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052628334 174364757 /nfs/dbraw/zinc/36/47/57/174364757.db2.gz JLOKCZOBRONSSQ-NWDGAFQWSA-N 1 0 245.363 1.585 10 0 BDAERO COCCO[C@H](c1ccccc1OC)[C@H](C)[NH3+] ZINC000043099379 174366790 /nfs/dbraw/zinc/36/67/90/174366790.db2.gz WIBXACUWZCMOQR-GWCFXTLKSA-N 1 0 239.315 1.747 10 0 BDAERO COCC[C@@H]([NH3+])c1nc2cc(C)ccc2n1C ZINC000052785213 174392932 /nfs/dbraw/zinc/39/29/32/174392932.db2.gz RCQCKSQFDQHUOY-SNVBAGLBSA-N 1 0 233.315 1.918 10 0 BDAERO COCC[C@@]1([NH3+])CCc2ccccc2C1 ZINC000053759061 174401291 /nfs/dbraw/zinc/40/12/91/174401291.db2.gz LNRDOCALKVLLDO-ZDUSSCGKSA-N 1 0 205.301 1.909 10 0 BDAERO COCc1ccc([C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000034946154 174627579 /nfs/dbraw/zinc/62/75/79/174627579.db2.gz ZODCDPUZFAIJGU-QWHCGFSZSA-N 1 0 203.285 1.694 10 0 BDAERO COc1cc(OC)c(CC[C@@H](C)[NH3+])c(OC)c1 ZINC000033756445 175007005 /nfs/dbraw/zinc/00/70/05/175007005.db2.gz XCOSLSXZEMZDEY-SECBINFHSA-N 1 0 239.315 1.992 10 0 BDAERO COc1cc(OC)c(NC(N)=[NH2+])cc1Cl ZINC000052091868 175007470 /nfs/dbraw/zinc/00/74/70/175007470.db2.gz OZXYGIWPZXZVSW-UHFFFAOYSA-N 1 0 229.667 1.663 10 0 BDAERO COc1cc(OC)c([C@H](O)[C@@H](C)[NH3+])c(OC)c1 ZINC000037376591 175007818 /nfs/dbraw/zinc/00/78/18/175007818.db2.gz QXYNTIYYQANHBR-JMCQJSRRSA-N 1 0 241.287 1.093 10 0 BDAERO COc1cc(OC)cc(OC[C@@H]2CCC[NH2+]2)c1 ZINC000041278581 175010023 /nfs/dbraw/zinc/01/00/23/175010023.db2.gz LFKOZJRQHPYZBT-JTQLQIEISA-N 1 0 237.299 1.835 10 0 BDAERO COc1cc([C@H](C)[NH2+]Cc2cn[nH]c2)ccc1O ZINC000038005764 175016240 /nfs/dbraw/zinc/01/62/40/175016240.db2.gz VTEGYIWRJROOPX-VIFPVBQESA-N 1 0 247.298 1.975 10 0 BDAERO COc1cc2c(c(OC)c1OC)CC[C@H]2[NH3+] ZINC000042405087 175020044 /nfs/dbraw/zinc/02/00/44/175020044.db2.gz VPBSMAZAIQHQIW-SECBINFHSA-N 1 0 223.272 1.658 10 0 BDAERO COc1cc2c(c(OC)c1OC)CC[NH2+][C@@H]2C ZINC000052095383 175020168 /nfs/dbraw/zinc/02/01/68/175020168.db2.gz ZONOXUGPDYXJCN-MRVPVSSYSA-N 1 0 237.299 1.919 10 0 BDAERO COc1cc2c(c(OC)c1)[C@H](C)[NH2+]CC2 ZINC000052095392 175020582 /nfs/dbraw/zinc/02/05/82/175020582.db2.gz CFLFVRDTBKUFGC-QMMMGPOBSA-N 1 0 207.273 1.911 10 0 BDAERO COc1ccc(-c2cnn(C)c2)cc1C[NH3+] ZINC000038073064 175036540 /nfs/dbraw/zinc/03/65/40/175036540.db2.gz YZFZNHYJWOTNJM-UHFFFAOYSA-N 1 0 217.272 1.554 10 0 BDAERO COc1ccc(C(=O)CC[NH2+]C2CC2)cc1N ZINC000098125897 175054011 /nfs/dbraw/zinc/05/40/11/175054011.db2.gz RKMDQSYJUZZJTB-UHFFFAOYSA-N 1 0 234.299 1.602 10 0 BDAERO COc1ccc(C(=O)c2ccc(C[NH3+])o2)cc1 ZINC000041256962 175066208 /nfs/dbraw/zinc/06/62/08/175066208.db2.gz RERHOYMPEWPBDM-UHFFFAOYSA-N 1 0 231.251 1.978 10 0 BDAERO COc1ccc(C)c2c1NC(=O)[C@@H](C[NH3+])C2 ZINC000011982670 175070933 /nfs/dbraw/zinc/07/09/33/175070933.db2.gz CPIPIKRRQWBCOV-MRVPVSSYSA-N 1 0 220.272 1.073 10 0 BDAERO COc1ccc(C)cc1-c1c[nH]c(C[NH3+])n1 ZINC000036870923 175071544 /nfs/dbraw/zinc/07/15/44/175071544.db2.gz FCFZPWNCKGYCAP-UHFFFAOYSA-N 1 0 217.272 1.852 10 0 BDAERO COc1ccc(C)cc1-n1cncc1CC[NH3+] ZINC000076678377 175072941 /nfs/dbraw/zinc/07/29/41/175072941.db2.gz ATIJNZJCJZOZOT-UHFFFAOYSA-N 1 0 231.299 1.691 10 0 BDAERO COc1ccc(C)cc1N1CC[C@H](C[NH3+])C1 ZINC000011891683 175076557 /nfs/dbraw/zinc/07/65/57/175076557.db2.gz NNZSXKQLANKLAB-LLVKDONJSA-N 1 0 220.316 1.789 10 0 BDAERO COc1ccc(C)cc1N1CC[C@H]([NH3+])C1=O ZINC000049647351 175076871 /nfs/dbraw/zinc/07/68/71/175076871.db2.gz QODDTUQZRNAYCG-VIFPVBQESA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(C)cc1[C@]1(C)C[C@]1(C[NH3+])CO ZINC000070553668 175082959 /nfs/dbraw/zinc/08/29/59/175082959.db2.gz QYCLBDJNRKDTKJ-KBPBESRZSA-N 1 0 235.327 1.602 10 0 BDAERO COc1ccc(CC[NH3+])c2nsnc21 ZINC000096869365 175090737 /nfs/dbraw/zinc/09/07/37/175090737.db2.gz OJYPMTHKQSVAEM-UHFFFAOYSA-N 1 0 209.274 1.201 10 0 BDAERO COc1ccc(CNC2=[NH+]CCS2)cn1 ZINC000062057119 175105134 /nfs/dbraw/zinc/10/51/34/175105134.db2.gz MLCZPRISZGQBNH-UHFFFAOYSA-N 1 0 223.301 1.283 10 0 BDAERO COc1ccc(COC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000040953988 175113715 /nfs/dbraw/zinc/11/37/15/175113715.db2.gz OJLJBRJHFXXVCQ-LBPRGKRZSA-N 1 0 249.310 1.738 10 0 BDAERO COc1ccc(Cl)cc1[C@@H](O)[C@H](C)[NH3+] ZINC000071519482 175122285 /nfs/dbraw/zinc/12/22/85/175122285.db2.gz DRRDLGZGYCBXDX-WKEGUHRASA-N 1 0 215.680 1.729 10 0 BDAERO COc1ccc(C[C@H](O)C[NH2+]C(C)C)cc1 ZINC000071525168 175117037 /nfs/dbraw/zinc/11/70/37/175117037.db2.gz XIFCFMCVWOXPAN-LBPRGKRZSA-N 1 0 223.316 1.597 10 0 BDAERO COc1ccc(Cl)c([C@@H](N)C[NH3+])c1 ZINC000072200578 175118717 /nfs/dbraw/zinc/11/87/17/175118717.db2.gz QRZMCTODTAUXFV-VIFPVBQESA-N 1 0 200.669 1.307 10 0 BDAERO COc1ccc(Cl)c([C@@H](N)C[NH3+])c1F ZINC000044473187 175118798 /nfs/dbraw/zinc/11/87/98/175118798.db2.gz WMXJCQZKMOMLGJ-LURJTMIESA-N 1 0 218.659 1.446 10 0 BDAERO COc1ccc(N)c(NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000063209704 175136908 /nfs/dbraw/zinc/13/69/08/175136908.db2.gz NNEOJZGXIKMIGP-VIFPVBQESA-N 1 0 249.314 1.168 10 0 BDAERO COc1ccc(N2CC[C@@H]([NH3+])C2=O)cc1C ZINC000049660066 175139722 /nfs/dbraw/zinc/13/97/22/175139722.db2.gz ZGCYJJJNMBALEA-SNVBAGLBSA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(N2CC[C@@H]([NH3+])C2=O)c(C)c1 ZINC000061568018 175139844 /nfs/dbraw/zinc/13/98/44/175139844.db2.gz CEKYBNZWADFCGL-SNVBAGLBSA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(NC(=O)C[NH2+]C2CC2)cc1C ZINC000049532020 175142778 /nfs/dbraw/zinc/14/27/78/175142778.db2.gz WNDVQJJNZCNILJ-UHFFFAOYSA-N 1 0 234.299 1.694 10 0 BDAERO COc1ccc(OC)c(C[NH2+]CCN(C)C)c1 ZINC000020872333 175165053 /nfs/dbraw/zinc/16/50/53/175165053.db2.gz NFECPURTOOXDGS-UHFFFAOYSA-N 1 0 238.331 1.355 10 0 BDAERO COc1ccc(OC)c(C[C@H]2CCC[NH2+]2)c1 ZINC000011630866 175166287 /nfs/dbraw/zinc/16/62/87/175166287.db2.gz VXPWOIZBDLKKEV-LLVKDONJSA-N 1 0 221.300 1.998 10 0 BDAERO COc1ccc(OC)c([C@@H]2C[NH2+]CCCO2)c1 ZINC000035598791 175168170 /nfs/dbraw/zinc/16/81/70/175168170.db2.gz GKMNIIMCAMOEGH-ZDUSSCGKSA-N 1 0 237.299 1.755 10 0 BDAERO COc1ccc(OC)c([C@H](C[NH3+])CCO)c1 ZINC000041245662 175168980 /nfs/dbraw/zinc/16/89/80/175168980.db2.gz RHDLTXDGJYNNHC-VIFPVBQESA-N 1 0 225.288 1.129 10 0 BDAERO COc1ccc(Oc2nc[nH+]c(NN)c2N)cc1 ZINC000040783917 175174039 /nfs/dbraw/zinc/17/40/39/175174039.db2.gz JCYWGYOEOUYTJS-UHFFFAOYSA-N 1 0 247.258 1.145 10 0 BDAERO COc1ccc(SC[C@H](O)C[NH3+])cc1 ZINC000019686726 175175482 /nfs/dbraw/zinc/17/54/82/175175482.db2.gz LAWHRIIHKZMVHK-MRVPVSSYSA-N 1 0 213.302 1.107 10 0 BDAERO COc1ccc([C@@H](CC[NH3+])OC)c(OC)c1 ZINC000049820081 175178215 /nfs/dbraw/zinc/17/82/15/175178215.db2.gz UXAOVLRHXKUIJB-LLVKDONJSA-N 1 0 225.288 1.740 10 0 BDAERO COc1ccc([C@@H](CO)[NH2+]C(C)C)cc1F ZINC000071533165 175179379 /nfs/dbraw/zinc/17/93/79/175179379.db2.gz MMJSGUXATDIGTA-LLVKDONJSA-N 1 0 227.279 1.866 10 0 BDAERO COc1ccc([C@@H](O)C[NH2+]C2CC2)c(OC)c1 ZINC000033465989 175180807 /nfs/dbraw/zinc/18/08/07/175180807.db2.gz QFGGALDDODTYCE-LBPRGKRZSA-N 1 0 237.299 1.489 10 0 BDAERO COc1ccc([C@@H]2C[C@H](C[NH3+])OC2=O)cc1 ZINC000027188671 175185506 /nfs/dbraw/zinc/18/55/06/175185506.db2.gz ZQPKBRYJALEZGX-MNOVXSKESA-N 1 0 221.256 1.053 10 0 BDAERO COc1ccc([C@H](N)C[NH3+])c(Cl)c1OC ZINC000044469759 175191553 /nfs/dbraw/zinc/19/15/53/175191553.db2.gz QXJRXTDIBUIVTK-SSDOTTSWSA-N 1 0 230.695 1.316 10 0 BDAERO COc1ccc([C@H](O)C[NH3+])c(Cl)c1 ZINC000071508323 175193108 /nfs/dbraw/zinc/19/31/08/175193108.db2.gz JYHBJUDAHOYUCU-SECBINFHSA-N 1 0 201.653 1.341 10 0 BDAERO COc1ccc([C@H](O)CC[NH3+])c(OC)c1OC ZINC000087347457 175193209 /nfs/dbraw/zinc/19/32/09/175193209.db2.gz FFTADSCFDSVWNQ-SECBINFHSA-N 1 0 241.287 1.095 10 0 BDAERO COc1ccc([C@H](O)C[NH3+])cc1Br ZINC000038052376 175193398 /nfs/dbraw/zinc/19/33/98/175193398.db2.gz DSPVTQMNOXVFNJ-MRVPVSSYSA-N 1 0 246.104 1.450 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCCO2)c(OC)c1 ZINC000035598854 175195917 /nfs/dbraw/zinc/19/59/17/175195917.db2.gz DEIWVRUJUBIUBP-CYBMUJFWSA-N 1 0 237.299 1.755 10 0 BDAERO COc1ccc([C@H]2OCC[NH2+][C@@H]2C)cc1 ZINC000037405084 175198939 /nfs/dbraw/zinc/19/89/39/175198939.db2.gz BHRUEGUXZCYUBO-SKDRFNHKSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@](C)([NH3+])CCO)c(OC)c1 ZINC000082540096 175199641 /nfs/dbraw/zinc/19/96/41/175199641.db2.gz BWIVMPSMWUBHNX-GFCCVEGCSA-N 1 0 225.288 1.260 10 0 BDAERO COc1ccc([C@](C)(O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000071545679 175199792 /nfs/dbraw/zinc/19/97/92/175199792.db2.gz MXNSCODUBJKFGX-OCCSQVGLSA-N 1 0 235.327 1.902 10 0 BDAERO COc1ccc([C@](C)([NH3+])CO)c(Cl)c1 ZINC000077307808 175199843 /nfs/dbraw/zinc/19/98/43/175199843.db2.gz XRDZBGMYWBGFTD-SNVBAGLBSA-N 1 0 215.680 1.515 10 0 BDAERO COc1ccc([C@]2(C)OC[C@H](C[NH3+])O2)cc1F ZINC000049830456 175200226 /nfs/dbraw/zinc/20/02/26/175200226.db2.gz YXKFTWOLYVIKBP-JOYOIKCWSA-N 1 0 241.262 1.381 10 0 BDAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH3+])CC3 ZINC000003807663 175201985 /nfs/dbraw/zinc/20/19/85/175201985.db2.gz ZQOUZQXHFNHWPT-MRVPVSSYSA-N 1 0 216.284 1.993 10 0 BDAERO COc1ccc2nc3c(NN)[nH+][nH]cc-3c2c1 ZINC000006018866 175202133 /nfs/dbraw/zinc/20/21/33/175202133.db2.gz OCNXTWIJSHIJGF-UHFFFAOYSA-N 1 0 229.243 1.405 10 0 BDAERO COc1ccc2c(c1)[nH]c1c(c2=O)CC[NH2+]C1 ZINC000077259522 175202533 /nfs/dbraw/zinc/20/25/33/175202533.db2.gz ZHBMPMIXWIPWDV-UHFFFAOYSA-N 1 0 230.267 1.182 10 0 BDAERO COc1ccc2[nH]cc([C@H](C[NH3+])CO)c2c1 ZINC000006018838 175202873 /nfs/dbraw/zinc/20/28/73/175202873.db2.gz PUDLMPAPHGYQFC-MRVPVSSYSA-N 1 0 220.272 1.211 10 0 BDAERO COc1ccc2ccccc2c1[C@@H](O)C[NH3+] ZINC000037115654 175226665 /nfs/dbraw/zinc/22/66/65/175226665.db2.gz QWSPPDURIQBKGD-NSHDSACASA-N 1 0 217.268 1.841 10 0 BDAERO COc1cccc(-c2nc([C@@H](C)[NH3+])no2)c1 ZINC000041052230 175236837 /nfs/dbraw/zinc/23/68/37/175236837.db2.gz YHRWPLKROIZJPR-SSDOTTSWSA-N 1 0 219.244 1.765 10 0 BDAERO COc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000038048883 175246532 /nfs/dbraw/zinc/24/65/32/175246532.db2.gz GGQPCWOHSLXNBI-OLZOCXBDSA-N 1 0 248.326 1.695 10 0 BDAERO COc1cccc(CN(CCC(N)=[NH2+])C2CC2)c1 ZINC000042547973 175257111 /nfs/dbraw/zinc/25/71/11/175257111.db2.gz MILWMMLVRBUFCX-UHFFFAOYSA-N 1 0 247.342 1.986 10 0 BDAERO COc1cccc(C[C@H]([NH3+])[C@H]2CCOC2)c1 ZINC000048627562 175272143 /nfs/dbraw/zinc/27/21/43/175272143.db2.gz STFZLVALMOZVEU-AAEUAGOBSA-N 1 0 221.300 1.602 10 0 BDAERO COc1cccc(C[C@H](O)C[NH2+]C2CC2)c1 ZINC000071523029 175272212 /nfs/dbraw/zinc/27/22/12/175272212.db2.gz MGCZAELWMVCWAU-LBPRGKRZSA-N 1 0 221.300 1.351 10 0 BDAERO COc1cccc(N(C)C2CC[NH2+]CC2)c1 ZINC000049969870 175275019 /nfs/dbraw/zinc/27/50/19/175275019.db2.gz OIMOWSPYMRIGBY-UHFFFAOYSA-N 1 0 220.316 1.883 10 0 BDAERO COc1cccc(N(C)C(=O)C(C)(C)[NH3+])c1 ZINC000049972359 175275397 /nfs/dbraw/zinc/27/53/97/175275397.db2.gz ASJFTBSJJXJEBN-UHFFFAOYSA-N 1 0 222.288 1.395 10 0 BDAERO COc1cccc(NC(=O)[C@H](C)CC[NH3+])c1 ZINC000076611140 175277560 /nfs/dbraw/zinc/27/75/60/175277560.db2.gz HCUMCHPUKCQAAH-SECBINFHSA-N 1 0 222.288 1.619 10 0 BDAERO COc1cccc(NC[C@H]2CCCC[N@@H+]2C)n1 ZINC000104120772 175279524 /nfs/dbraw/zinc/27/95/24/175279524.db2.gz OVWJVFYDYPFIPL-LLVKDONJSA-N 1 0 235.331 1.986 10 0 BDAERO COc1cccc(OC)c1[C@H](O)CC[NH3+] ZINC000041225470 175282421 /nfs/dbraw/zinc/28/24/21/175282421.db2.gz JLXCFDHZHLGKCB-MRVPVSSYSA-N 1 0 211.261 1.086 10 0 BDAERO COc1cccc(OCC[C@H](C)[NH3+])c1OC ZINC000032015031 175283162 /nfs/dbraw/zinc/28/31/62/175283162.db2.gz MREJCAKLEBGEDL-VIFPVBQESA-N 1 0 225.288 1.820 10 0 BDAERO COc1cccc(O[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000019262303 175283819 /nfs/dbraw/zinc/28/38/19/175283819.db2.gz RPIWFVMXBVYBGI-VXGBXAGGSA-N 1 0 207.273 1.954 10 0 BDAERO COc1cccc([C@@H](C[NH3+])n2ccnc2C)c1 ZINC000043028775 175287653 /nfs/dbraw/zinc/28/76/53/175287653.db2.gz GJCWRKPLTQONTM-CYBMUJFWSA-N 1 0 231.299 1.748 10 0 BDAERO COc1cccc([C@@H]2[C@@H]([NH3+])CCN2C2CC2)c1 ZINC000070299717 175291614 /nfs/dbraw/zinc/29/16/14/175291614.db2.gz LNCNFGRZOJOWPW-UONOGXRCSA-N 1 0 232.327 1.932 10 0 BDAERO COc1cccc([C@H](O)[C@@H]([NH3+])C(C)C)c1 ZINC000071511669 175295233 /nfs/dbraw/zinc/29/52/33/175295233.db2.gz AVRYTPLLXQKMQF-RYUDHWBXSA-N 1 0 209.289 1.712 10 0 BDAERO COc1cccc([C@H]([C@@H](C)[NH3+])N(C)CCO)c1 ZINC000043027243 175295641 /nfs/dbraw/zinc/29/56/41/175295641.db2.gz KSQDGZNVHWYBAO-MFKMUULPSA-N 1 0 238.331 1.008 10 0 BDAERO COc1cccc2c1CC[NH2+][C@H]2c1cnn(C)c1 ZINC000083665566 175301993 /nfs/dbraw/zinc/30/19/93/175301993.db2.gz HCUXJYVGZCACKQ-AWEZNQCLSA-N 1 0 243.310 1.664 10 0 BDAERO COc1cccc2c1SC[C@@H](C[NH3+])C2 ZINC000082374860 175305063 /nfs/dbraw/zinc/30/50/63/175305063.db2.gz KSYDZIOXEXRGQR-MRVPVSSYSA-N 1 0 209.314 1.918 10 0 BDAERO COc1cccc2c3c(n(C)c21)CC[NH2+]C3 ZINC000082596031 175306333 /nfs/dbraw/zinc/30/63/33/175306333.db2.gz WWEGJHKHYRZMST-UHFFFAOYSA-N 1 0 216.284 1.833 10 0 BDAERO COc1ccccc1CCN1CC[NH2+][C@H](C)C1 ZINC000071544659 175322075 /nfs/dbraw/zinc/32/20/75/175322075.db2.gz FEZJIKSSHIDMMJ-GFCCVEGCSA-N 1 0 234.343 1.531 10 0 BDAERO COc1ccccc1C[C@@](O)(C[NH3+])C1CC1 ZINC000082364260 175332388 /nfs/dbraw/zinc/33/23/88/175332388.db2.gz QRFRJPNPALWCQY-CYBMUJFWSA-N 1 0 221.300 1.338 10 0 BDAERO COc1ccccc1C[C@@]1(C)OC[C@@H](C[NH3+])O1 ZINC000019729880 175332871 /nfs/dbraw/zinc/33/28/71/175332871.db2.gz DLTODJCJAXPYJE-YPMHNXCESA-N 1 0 237.299 1.328 10 0 BDAERO COc1ccccc1C[C@](C)([NH3+])c1noc(C)n1 ZINC000037735044 175333834 /nfs/dbraw/zinc/33/38/34/175333834.db2.gz KJSKEXCOPSMITI-ZDUSSCGKSA-N 1 0 247.298 1.803 10 0 BDAERO COc1ccccc1C[C@]1(C)OC[C@@H](C[NH3+])O1 ZINC000019729881 175334158 /nfs/dbraw/zinc/33/41/58/175334158.db2.gz DLTODJCJAXPYJE-DGCLKSJQSA-N 1 0 237.299 1.328 10 0 BDAERO COc1ccccc1N(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062903040 175334809 /nfs/dbraw/zinc/33/48/09/175334809.db2.gz PGQYTWULSNEWJG-AWEZNQCLSA-N 1 0 248.326 1.658 10 0 BDAERO COc1ccccc1N(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104219258 175335296 /nfs/dbraw/zinc/33/52/96/175335296.db2.gz GMALLPVCJIAISG-WDEREUQCSA-N 1 0 248.326 1.514 10 0 BDAERO COc1ccccc1N(C)[C@]1(C[NH3+])CCOC1 ZINC000104073261 175335796 /nfs/dbraw/zinc/33/57/96/175335796.db2.gz GJENHYAGSJUYCL-ZDUSSCGKSA-N 1 0 236.315 1.249 10 0 BDAERO COc1ccccc1O[C@@H](C)C1=[NH+]CCN1 ZINC000073312429 175342690 /nfs/dbraw/zinc/34/26/90/175342690.db2.gz SQPFWLZXWYXMCI-VIFPVBQESA-N 1 0 220.272 1.464 10 0 BDAERO COc1ccccc1[C@@H](C[NH3+])n1ccnc1C ZINC000043098683 175345662 /nfs/dbraw/zinc/34/56/62/175345662.db2.gz ATXQDMIKHDKGSN-GFCCVEGCSA-N 1 0 231.299 1.748 10 0 BDAERO COc1ccccc1[C@@H]([NH3+])CN1CCCC1=O ZINC000022566424 175347032 /nfs/dbraw/zinc/34/70/32/175347032.db2.gz AESPHWXYILTHDT-NSHDSACASA-N 1 0 234.299 1.317 10 0 BDAERO COc1ccccc1[C@@H]1C[NH2+]CCCO1 ZINC000035598825 175348185 /nfs/dbraw/zinc/34/81/85/175348185.db2.gz BTJRYXUOKMANBT-LBPRGKRZSA-N 1 0 207.273 1.746 10 0 BDAERO COc1ccccc1[C@@](C)(O)C[NH2+]C(C)C ZINC000032014580 175349571 /nfs/dbraw/zinc/34/95/71/175349571.db2.gz NKGWJTUKROSCJV-ZDUSSCGKSA-N 1 0 223.316 1.901 10 0 BDAERO COc1ccccc1[C@H](O)[C@@H]1CCC[NH2+]C1 ZINC000032013939 175354243 /nfs/dbraw/zinc/35/42/43/175354243.db2.gz ZWAQIBCEDLEGAG-ZWNOBZJWSA-N 1 0 221.300 1.728 10 0 BDAERO COc1ccccc1[C@H](O)C[NH2+]C1CC1 ZINC000032011679 175354479 /nfs/dbraw/zinc/35/44/79/175354479.db2.gz RNNQFKMGBGSLBK-LLVKDONJSA-N 1 0 207.273 1.481 10 0 BDAERO CSCC[C@@H](C)[N@H+](C)CC(C)(C)O ZINC000120607054 175502624 /nfs/dbraw/zinc/50/26/24/175502624.db2.gz JNUGNWIJPGYETP-SECBINFHSA-N 1 0 205.367 1.831 10 0 BDAERO CSC[C@@](C)(O)C[NH2+]Cc1cc[nH]c1 ZINC000086254794 175518684 /nfs/dbraw/zinc/51/86/84/175518684.db2.gz KYMOPKZEESAORE-JTQLQIEISA-N 1 0 214.334 1.218 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000069668794 175655937 /nfs/dbraw/zinc/65/59/37/175655937.db2.gz RKCHUWHZOYVNBW-JOYOIKCWSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H](CC[NH3+])N1C(=O)c2ccccc2C1=O ZINC000048248044 175672800 /nfs/dbraw/zinc/67/28/00/175672800.db2.gz RZQQGGJGRXDHMH-QMMMGPOBSA-N 1 0 218.256 1.020 10 0 BDAERO C[C@@H](C[NH3+])C(=O)N1CCC2(CCCC2)CC1 ZINC000062955254 175704298 /nfs/dbraw/zinc/70/42/98/175704298.db2.gz NMCISUCKEBOIDI-NSHDSACASA-N 1 0 224.348 1.764 10 0 BDAERO C[C@@H](C[NH3+])CN(C)C(=O)Cc1ccccc1F ZINC000042455000 175706783 /nfs/dbraw/zinc/70/67/83/175706783.db2.gz MBHFHPNOUDVAHA-JTQLQIEISA-N 1 0 238.306 1.421 10 0 BDAERO C[C@@H](C[NH3+])c1nc(-c2ccccc2)n[nH]1 ZINC000054335019 175712704 /nfs/dbraw/zinc/71/27/04/175712704.db2.gz DJNCMTOTFOMSRN-QMMMGPOBSA-N 1 0 202.261 1.534 10 0 BDAERO C[C@@H](CO)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000309004385 175745051 /nfs/dbraw/zinc/74/50/51/175745051.db2.gz PDSFNUIDAHNHMJ-GHMZBOCLSA-N 1 0 213.321 1.164 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccccc1F)N1CCOCC1 ZINC000043042159 175813225 /nfs/dbraw/zinc/81/32/25/175813225.db2.gz HQSKLDNTAQRLLG-ZWNOBZJWSA-N 1 0 238.306 1.546 10 0 BDAERO C[C@@H]([NH3+])c1csc(CN2CCCC2)n1 ZINC000045206600 175818651 /nfs/dbraw/zinc/81/86/51/175818651.db2.gz VOKCAKFJMOFFRT-MRVPVSSYSA-N 1 0 211.334 1.759 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccco1 ZINC000035206823 175845587 /nfs/dbraw/zinc/84/55/87/175845587.db2.gz RTNSEWXNZMJYME-RKDXNWHRSA-N 1 0 208.261 1.209 10 0 BDAERO C[C@@H]([NH2+]Cc1cncnc1)[C@H]1CCCO1 ZINC000054767191 175905564 /nfs/dbraw/zinc/90/55/64/175905564.db2.gz FFOXFAFPCHISRE-MWLCHTKSSA-N 1 0 207.277 1.134 10 0 BDAERO C[C@@H](OC1CC[NH2+]CC1)c1nccs1 ZINC000095068455 176002180 /nfs/dbraw/zinc/00/21/80/176002180.db2.gz JCXXCWUZWVFEOX-MRVPVSSYSA-N 1 0 212.318 1.973 10 0 BDAERO C[C@@H](O[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000095068409 176002829 /nfs/dbraw/zinc/00/28/29/176002829.db2.gz CCQPFPSXWJQXPF-RKDXNWHRSA-N 1 0 212.318 1.973 10 0 BDAERO C[C@@H](Oc1ccc2ccccc2c1C[NH3+])C(N)=O ZINC000035630577 176004839 /nfs/dbraw/zinc/00/48/39/176004839.db2.gz IUWZSJLQBCFGCL-SECBINFHSA-N 1 0 244.294 1.551 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000083591950 176010995 /nfs/dbraw/zinc/01/09/95/176010995.db2.gz XFNHRUKNCBHPQT-SFYZADRCSA-N 1 0 202.298 1.589 10 0 BDAERO C[C@@H]([C@@H]([NH3+])c1ccccc1)S(C)(=O)=O ZINC000054930051 176011577 /nfs/dbraw/zinc/01/15/77/176011577.db2.gz DZBPGXPLUUOOCX-WCBMZHEXSA-N 1 0 213.302 1.120 10 0 BDAERO C[C@@H](c1ccc(O)cc1)N1CC[NH2+]CC1 ZINC000031994311 176017197 /nfs/dbraw/zinc/01/71/97/176017197.db2.gz AWWFNESNPNFUHU-JTQLQIEISA-N 1 0 206.289 1.358 10 0 BDAERO C[C@@H](c1cnccn1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000095068226 176035471 /nfs/dbraw/zinc/03/54/71/176035471.db2.gz HOVQNNDWSVBKSG-NWDGAFQWSA-N 1 0 234.347 1.469 10 0 BDAERO C[C@@H](c1ccncc1)N1CC[NH2+]C[C@@H](C)C1 ZINC000049662181 176035537 /nfs/dbraw/zinc/03/55/37/176035537.db2.gz VHWHNISLBINKPY-NEPJUHHUSA-N 1 0 219.332 1.684 10 0 BDAERO C[C@@H](c1ccsc1)N1CC[C@@H]([NH3+])C1=O ZINC000061363864 176036120 /nfs/dbraw/zinc/03/61/20/176036120.db2.gz PAEBFIGJZGRXKK-IONNQARKSA-N 1 0 210.302 1.369 10 0 BDAERO C[C@@H]1CC(=O)N(c2cccc(C[NH3+])c2)C1=O ZINC000038051796 176049173 /nfs/dbraw/zinc/04/91/73/176049173.db2.gz WZIMJDSBPZTKKC-MRVPVSSYSA-N 1 0 218.256 1.045 10 0 BDAERO C[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CC[C@H](N(C)C)C2)C1 ZINC000062969665 176061796 /nfs/dbraw/zinc/06/17/96/176061796.db2.gz LXQTVRZYKYGTIO-UPJWGTAASA-N 1 0 238.375 1.628 10 0 BDAERO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000042860288 176085894 /nfs/dbraw/zinc/08/58/94/176085894.db2.gz OPYRBRUTZHWZOE-OUAUKWLOSA-N 1 0 238.331 1.160 10 0 BDAERO C[C@@H]1CCC[N@H+](CCn2cc(N)cn2)[C@@H]1C ZINC000050614934 176100351 /nfs/dbraw/zinc/10/03/51/176100351.db2.gz VOIXNJODPXBPMB-GHMZBOCLSA-N 1 0 222.336 1.586 10 0 BDAERO C[C@@H]1CCC[N@H+](Cc2ccoc2CN)C1 ZINC000052381325 176101859 /nfs/dbraw/zinc/10/18/59/176101859.db2.gz UNKVTYRBDBVBCD-SNVBAGLBSA-N 1 0 208.305 1.970 10 0 BDAERO C[C@@H]1CCCN(Cc2csc(C[NH3+])n2)C1 ZINC000052381431 176102235 /nfs/dbraw/zinc/10/22/35/176102235.db2.gz PFWWUHBQYYLGRO-SECBINFHSA-N 1 0 225.361 1.834 10 0 BDAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037910369 176110346 /nfs/dbraw/zinc/11/03/46/176110346.db2.gz CCVXDQLPXWVMEQ-PWSUYJOCSA-N 1 0 248.326 1.899 10 0 BDAERO C[C@@H]1CCC[C@H](CN2CCCOC2=O)[NH2+]1 ZINC000051574896 176137136 /nfs/dbraw/zinc/13/71/36/176137136.db2.gz WEPRRVJURCIHGU-NXEZZACHSA-N 1 0 212.293 1.359 10 0 BDAERO C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCCOC2)[NH2+]1 ZINC000062230280 176138156 /nfs/dbraw/zinc/13/81/56/176138156.db2.gz JBDQOIMCXFDSOB-IJLUTSLNSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790087 176150990 /nfs/dbraw/zinc/15/09/90/176150990.db2.gz ILTQAYDETSXYTC-IJLUTSLNSA-N 1 0 212.337 1.095 10 0 BDAERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2cc[nH]n2)C1 ZINC000053116452 176152086 /nfs/dbraw/zinc/15/20/86/176152086.db2.gz IYTWTOKYIJSJTC-PWSUYJOCSA-N 1 0 223.320 1.441 10 0 BDAERO C[C@@H]1CCC[C@]([NH2+]C[C@@H]2CCCO2)(C(N)=O)C1 ZINC000037942946 176152345 /nfs/dbraw/zinc/15/23/45/176152345.db2.gz RZKHRYYSHQFHBF-NTZNESFSSA-N 1 0 240.347 1.189 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000040725096 176155636 /nfs/dbraw/zinc/15/56/36/176155636.db2.gz WPYNFOPKQOSATA-MNOVXSKESA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1CC[N@H+](CCOc2cccc(N)c2)C1 ZINC000042372043 176170089 /nfs/dbraw/zinc/17/00/89/176170089.db2.gz AVIXOIHMHTUMSQ-LLVKDONJSA-N 1 0 220.316 1.989 10 0 BDAERO C[C@@H]1CCN(CCc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235311391 176171181 /nfs/dbraw/zinc/17/11/81/176171181.db2.gz HGFRWBGLUTWVEQ-DGCLKSJQSA-N 1 0 236.363 1.022 10 0 BDAERO C[C@@H]1CCN(Cc2cccnc2)[C@@H](C[NH3+])C1 ZINC000235338636 176176538 /nfs/dbraw/zinc/17/65/38/176176538.db2.gz WDPTYYMRGLFVFQ-DGCLKSJQSA-N 1 0 219.332 1.641 10 0 BDAERO C[C@@H]1CC[NH2+]CCN1Cc1ccncc1 ZINC000071509839 176185204 /nfs/dbraw/zinc/18/52/04/176185204.db2.gz BOFMBQYWHFLMCD-LLVKDONJSA-N 1 0 205.305 1.265 10 0 BDAERO C[C@@H]1CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]21 ZINC000095643251 176187267 /nfs/dbraw/zinc/18/72/67/176187267.db2.gz NNGQHFTWMLQAJL-OUAUKWLOSA-N 1 0 240.347 1.994 10 0 BDAERO C[C@@H]1CC[C@@H](C)[N@H+](CCC2CS(=O)(=O)C2)C1 ZINC000336250793 176197888 /nfs/dbraw/zinc/19/78/88/176197888.db2.gz CUYSAMDRZVDNMW-GHMZBOCLSA-N 1 0 245.388 1.542 10 0 BDAERO C[C@@H]1CC[C@@H](CN2CCCCC2=O)C[NH2+]1 ZINC000062037288 176203672 /nfs/dbraw/zinc/20/36/72/176203672.db2.gz IGIQIMFISCJDRS-GHMZBOCLSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1CC[C@@H](CNC(=O)C2CCC2)C[NH2+]1 ZINC000062036639 176203962 /nfs/dbraw/zinc/20/39/62/176203962.db2.gz AXPVALYHTLPWCJ-NXEZZACHSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1CN(CC(F)(F)F)C(C)(C)C[NH2+]1 ZINC000062570246 176284607 /nfs/dbraw/zinc/28/46/07/176284607.db2.gz DFTMTCDQARXUND-SSDOTTSWSA-N 1 0 210.243 1.621 10 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233.315 1.323 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)N(C)C ZINC000124317628 176322681 /nfs/dbraw/zinc/32/26/81/176322681.db2.gz CNLUDOVVSBVDMA-GHMZBOCLSA-N 1 0 225.336 1.227 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cocn1 ZINC000191943366 176323535 /nfs/dbraw/zinc/32/35/35/176323535.db2.gz PSIRKFKELIDADB-ZYHUDNBSSA-N 1 0 221.304 1.343 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ncccn1 ZINC000361825916 176323618 /nfs/dbraw/zinc/32/36/18/176323618.db2.gz PJEJSLRTGMZNMB-CHWSQXEVSA-N 1 0 246.358 1.535 10 0 BDAERO C[C@@H]1C[NH+]=C(NC[C@H]2CCCOC2)S1 ZINC000044982336 176324692 /nfs/dbraw/zinc/32/46/92/176324692.db2.gz RPERHWQNSZSUDA-RKDXNWHRSA-N 1 0 214.334 1.494 10 0 BDAERO C[C@@H]1C[NH2+]CCN(CCOc2ccccc2)C1 ZINC000042897845 176325773 /nfs/dbraw/zinc/32/57/73/176325773.db2.gz DCVXPSATZLCXHA-CYBMUJFWSA-N 1 0 234.343 1.607 10 0 BDAERO C[C@@H]1COCCN1C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881597 176334910 /nfs/dbraw/zinc/33/49/10/176334910.db2.gz VNQOPLVKNFRVFT-BXUZGUMPSA-N 1 0 248.326 1.108 10 0 BDAERO C[C@@H]1COCCN1[C@H](C[NH3+])Cc1ccccc1 ZINC000035774523 176337929 /nfs/dbraw/zinc/33/79/29/176337929.db2.gz DOKPCABJQKOYRC-OCCSQVGLSA-N 1 0 234.343 1.277 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000307000216 176340047 /nfs/dbraw/zinc/34/00/47/176340047.db2.gz HLSUKMKXEOYSCO-APPZFPTMSA-N 1 0 205.248 1.799 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)C ZINC000309762599 176340168 /nfs/dbraw/zinc/34/01/68/176340168.db2.gz JAKRGUOAUNOXFS-WXHSDQCUSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1CCCn1ccnc1 ZINC000183180794 176346949 /nfs/dbraw/zinc/34/69/49/176346949.db2.gz AXKYKACZSMWIDQ-VXGBXAGGSA-N 1 0 223.320 1.382 10 0 BDAERO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](CN)[C@@H]2CCCOC2)C1 ZINC000104321203 176362373 /nfs/dbraw/zinc/36/23/73/176362373.db2.gz OWRVQJXOWKFMGI-SYQHCUMBSA-N 1 0 240.391 1.718 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])c2cc3c(cc21)OCCO3 ZINC000041213664 176371420 /nfs/dbraw/zinc/37/14/20/176371420.db2.gz RANODRAICBGDHT-GMSGAONNSA-N 1 0 205.257 1.965 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)NCc1cccc(C[NH3+])c1 ZINC000036201952 176386348 /nfs/dbraw/zinc/38/63/48/176386348.db2.gz PGZSIRGCNVALON-SKDRFNHKSA-N 1 0 218.300 1.418 10 0 BDAERO C[C@@H]1C[C@H]1C(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000034653624 176430103 /nfs/dbraw/zinc/43/01/03/176430103.db2.gz ICJKQDATYCFGLB-BXKDBHETSA-N 1 0 218.300 1.764 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000335595450 176458232 /nfs/dbraw/zinc/45/82/32/176458232.db2.gz DSEHISHOOBXOBY-CABZTGNLSA-N 1 0 234.299 1.719 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CCC1 ZINC000335594306 176458919 /nfs/dbraw/zinc/45/89/19/176458919.db2.gz ZGJNWACIXYJLLH-GXSJLCMTSA-N 1 0 210.321 1.385 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000307943430 176480239 /nfs/dbraw/zinc/48/02/39/176480239.db2.gz FPDVTTNXKMRAQX-XLPZGREQSA-N 1 0 227.226 1.067 10 0 BDAERO C[C@@]([NH3+])(CO)c1cccc(OC(F)F)c1 ZINC000038124720 176511971 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BDAERO CCN1CC[C@H]([NH2+][C@H](C)CCCOC)C1 ZINC000395429354 262787913 /nfs/dbraw/zinc/78/79/13/262787913.db2.gz KLZMMNTXWMRJIH-NEPJUHHUSA-N 1 0 214.353 1.485 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1cscn1 ZINC000082626676 487698884 /nfs/dbraw/zinc/69/88/84/487698884.db2.gz DEAAOIXNXFCAEM-VIFPVBQESA-N 1 0 239.344 1.149 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCCCC1 ZINC000084308914 487705368 /nfs/dbraw/zinc/70/53/68/487705368.db2.gz MEABJKAMOXDKOP-GHMZBOCLSA-N 1 0 210.321 1.374 10 0 BDAERO CC[N@H+](Cc1ccncc1)[C@@H]1CCC[C@H]1O ZINC000226281007 487706521 /nfs/dbraw/zinc/70/65/21/487706521.db2.gz CVILFEJVHZUCRD-CHWSQXEVSA-N 1 0 220.316 1.817 10 0 BDAERO CCC[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290039 487708683 /nfs/dbraw/zinc/70/86/83/487708683.db2.gz MBSDQXXHGFYHSY-GHMZBOCLSA-N 1 0 212.337 1.681 10 0 BDAERO C[C@@H](O)C1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000226332628 487713179 /nfs/dbraw/zinc/71/31/79/487713179.db2.gz UYIFYXXFMHUNQY-SNVBAGLBSA-N 1 0 242.363 1.123 10 0 BDAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000054306059 487713781 /nfs/dbraw/zinc/71/37/81/487713781.db2.gz DVMFJTBPZNBUTD-NWDGAFQWSA-N 1 0 247.342 1.649 10 0 BDAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309518861 487715835 /nfs/dbraw/zinc/71/58/35/487715835.db2.gz ZLYRMWQVMRFNCN-CKYFFXLPSA-N 1 0 224.348 1.822 10 0 BDAERO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N(C)C)cc1 ZINC000070447022 487720955 /nfs/dbraw/zinc/72/09/55/487720955.db2.gz ZQHWUQNFWIUMFD-ZDUSSCGKSA-N 1 0 249.358 1.466 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)CC1([NH3+])CCC1 ZINC000226379715 487725057 /nfs/dbraw/zinc/72/50/57/487725057.db2.gz HBQXYSBNTBPAHL-ZJUUUORDSA-N 1 0 210.321 1.563 10 0 BDAERO CCC[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000665689969 487731706 /nfs/dbraw/zinc/73/17/06/487731706.db2.gz RFHRIXLFWIRJIK-GHMZBOCLSA-N 1 0 227.352 1.568 10 0 BDAERO CC(C)CCOCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136446702 487736177 /nfs/dbraw/zinc/73/61/77/487736177.db2.gz XWYKOFVBDUSQIY-GFCCVEGCSA-N 1 0 244.379 1.539 10 0 BDAERO Cc1nn(C)c(C)c1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136436760 487736330 /nfs/dbraw/zinc/73/63/30/487736330.db2.gz VBDFMVBSBQURJE-SNVBAGLBSA-N 1 0 238.335 1.349 10 0 BDAERO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250641073 487737391 /nfs/dbraw/zinc/73/73/91/487737391.db2.gz TWGNIUQETPRUEZ-WISYIIOYSA-N 1 0 222.332 1.100 10 0 BDAERO [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250810520 487741300 /nfs/dbraw/zinc/74/13/00/487741300.db2.gz DGEHPJIIRXCHRF-YVECIDJPSA-N 1 0 236.359 1.762 10 0 BDAERO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250810518 487741507 /nfs/dbraw/zinc/74/15/07/487741507.db2.gz DGEHPJIIRXCHRF-RNJOBUHISA-N 1 0 236.359 1.762 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCCCO1 ZINC000250818294 487741060 /nfs/dbraw/zinc/74/10/60/487741060.db2.gz FQMPCZLRIQHOFV-QJPTWQEYSA-N 1 0 240.347 1.047 10 0 BDAERO [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000250816008 487741071 /nfs/dbraw/zinc/74/10/71/487741071.db2.gz OLZMHAXQGQAYDZ-XJFOESAGSA-N 1 0 244.338 1.849 10 0 BDAERO C[N@H+](CCCCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000384782341 487746070 /nfs/dbraw/zinc/74/60/70/487746070.db2.gz LXTGPDUWBJSCMG-VXGBXAGGSA-N 1 0 215.337 1.242 10 0 BDAERO COc1ccc(N[C@@H]2CCC[NH2+]CC2)nc1 ZINC000226471877 487752745 /nfs/dbraw/zinc/75/27/45/487752745.db2.gz VLNBKLHBRLWHPH-SNVBAGLBSA-N 1 0 221.304 1.644 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000251264874 487752874 /nfs/dbraw/zinc/75/28/74/487752874.db2.gz AORHRICBKAZUIM-QJPTWQEYSA-N 1 0 242.363 1.027 10 0 BDAERO CCC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251329772 487754149 /nfs/dbraw/zinc/75/41/49/487754149.db2.gz NCZKIPCPUNQCTQ-GARJFASQSA-N 1 0 212.337 1.666 10 0 BDAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251425285 487755789 /nfs/dbraw/zinc/75/57/89/487755789.db2.gz STUHMWHHWFFFST-GWCNHQMASA-N 1 0 234.343 1.432 10 0 BDAERO CC[C@@H]1CN(c2nc(C)ns2)CC[C@H]1[NH3+] ZINC000251531657 487765717 /nfs/dbraw/zinc/76/57/17/487765717.db2.gz AJRNCTYKHHDGMM-RKDXNWHRSA-N 1 0 226.349 1.410 10 0 BDAERO CC[C@H]1CN(c2nc(C)ns2)CC[C@H]1[NH3+] ZINC000251531648 487765769 /nfs/dbraw/zinc/76/57/69/487765769.db2.gz AJRNCTYKHHDGMM-DTWKUNHWSA-N 1 0 226.349 1.410 10 0 BDAERO CC[C@@H]1CN(c2ccnc(N(C)C)n2)CC[C@H]1[NH3+] ZINC000251850466 487802404 /nfs/dbraw/zinc/80/24/04/487802404.db2.gz RSHYAHAEOHDNQR-GHMZBOCLSA-N 1 0 249.362 1.106 10 0 BDAERO CN1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000309242018 487805711 /nfs/dbraw/zinc/80/57/11/487805711.db2.gz AXVCAXVJFKVCKH-OLZOCXBDSA-N 1 0 226.364 1.175 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])n(C)n1 ZINC000089449775 487817101 /nfs/dbraw/zinc/81/71/01/487817101.db2.gz QAVFWUDQIXAWNT-UWVGGRQHSA-N 1 0 236.319 1.042 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1ccccn1 ZINC000089449930 487817000 /nfs/dbraw/zinc/81/70/00/487817000.db2.gz NADAGWALNUYQHD-YPMHNXCESA-N 1 0 247.342 1.115 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCc1ccccn1 ZINC000089449932 487817022 /nfs/dbraw/zinc/81/70/22/487817022.db2.gz NADAGWALNUYQHD-WCQYABFASA-N 1 0 247.342 1.115 10 0 BDAERO CN(Cc1ccccn1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450823 487817888 /nfs/dbraw/zinc/81/78/88/487817888.db2.gz MBDHLJMHHKYCCO-YPMHNXCESA-N 1 0 247.342 1.415 10 0 BDAERO CN(Cc1ccccn1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450825 487817593 /nfs/dbraw/zinc/81/75/93/487817593.db2.gz MBDHLJMHHKYCCO-WCQYABFASA-N 1 0 247.342 1.415 10 0 BDAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252155568 487819371 /nfs/dbraw/zinc/81/93/71/487819371.db2.gz PCQIUHYSRCCRSJ-PZWNZHSQSA-N 1 0 222.332 1.228 10 0 BDAERO CCOCCN(CC)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089462559 487822426 /nfs/dbraw/zinc/82/24/26/487822426.db2.gz QHRIAIQKXLRZKU-VXGBXAGGSA-N 1 0 242.363 1.246 10 0 BDAERO CCOCCN(CC)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462563 487822528 /nfs/dbraw/zinc/82/25/28/487822528.db2.gz QHRIAIQKXLRZKU-NWDGAFQWSA-N 1 0 242.363 1.246 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@H]1C[NH3+] ZINC000252219063 487822975 /nfs/dbraw/zinc/82/29/75/487822975.db2.gz YOBVNVYQPQWKLA-LBELIVKGSA-N 1 0 236.359 1.618 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)Cc1ccc(C)c(C)c1 ZINC000234419091 487825342 /nfs/dbraw/zinc/82/53/42/487825342.db2.gz FELYOQAWDKVDDJ-LBPRGKRZSA-N 1 0 234.343 1.570 10 0 BDAERO CCCCNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309285123 487827798 /nfs/dbraw/zinc/82/77/98/487827798.db2.gz GKOUYQWLCFYIHE-GARJFASQSA-N 1 0 225.336 1.165 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[C@H]1CCCO1 ZINC000252651531 487828369 /nfs/dbraw/zinc/82/83/69/487828369.db2.gz QOACBNMXZOXRSV-QJPTWQEYSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C[C@H]1C ZINC000252769626 487833872 /nfs/dbraw/zinc/83/38/72/487833872.db2.gz KPVCKXKXKGTRFU-FVCCEPFGSA-N 1 0 238.375 1.866 10 0 BDAERO CC[C@@H]1CN(c2ncc(F)cn2)CC[C@H]1[NH3+] ZINC000252815458 487834276 /nfs/dbraw/zinc/83/42/76/487834276.db2.gz VEDQKWDKIQVTLP-PSASIEDQSA-N 1 0 224.283 1.179 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@H]1CCOc2ccccc21 ZINC000252824581 487835584 /nfs/dbraw/zinc/83/55/84/487835584.db2.gz DLHBNUIUTAHSDB-OLZOCXBDSA-N 1 0 246.354 1.976 10 0 BDAERO COCC1([N@H+](C)C[C@H](O)C(C)(C)C)CC1 ZINC000676391237 487844752 /nfs/dbraw/zinc/84/47/52/487844752.db2.gz WXYGNQYLLLTPDY-JTQLQIEISA-N 1 0 215.337 1.504 10 0 BDAERO C[NH2+][C@H](C)CNc1nccc(SC)n1 ZINC000386457051 487849545 /nfs/dbraw/zinc/84/95/45/487849545.db2.gz MVRUBDXYYKGSDB-SSDOTTSWSA-N 1 0 212.322 1.218 10 0 BDAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@@H](C[NH3+])C1CC1 ZINC000253170251 487856947 /nfs/dbraw/zinc/85/69/47/487856947.db2.gz FZZPGBMUZDTIKD-USZNOCQGSA-N 1 0 222.332 1.228 10 0 BDAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@H](C[NH3+])C1CC1 ZINC000253170252 487857003 /nfs/dbraw/zinc/85/70/03/487857003.db2.gz FZZPGBMUZDTIKD-WRWGMCAJSA-N 1 0 222.332 1.228 10 0 BDAERO C[C@H]([NH3+])CCNCc1nc2c(s1)CCC2 ZINC000666775567 487878629 /nfs/dbraw/zinc/87/86/29/487878629.db2.gz XDVKZWQWOJYOOC-QMMMGPOBSA-N 1 0 225.361 1.459 10 0 BDAERO [NH3+]CC1(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000395875090 487880254 /nfs/dbraw/zinc/88/02/54/487880254.db2.gz LWVOSYAKXQXLFP-JGPRNRPPSA-N 1 0 222.332 1.278 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000682029754 487883645 /nfs/dbraw/zinc/88/36/45/487883645.db2.gz VEIVWBCBWZRFAF-WPRPVWTQSA-N 1 0 207.264 1.734 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC1CCSCC1 ZINC000229272433 487899929 /nfs/dbraw/zinc/89/99/29/487899929.db2.gz CKLAWOYYIATYDT-LLVKDONJSA-N 1 0 244.404 1.619 10 0 BDAERO CC(C)(O)C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000229294476 487901503 /nfs/dbraw/zinc/90/15/03/487901503.db2.gz GLDHOHBZWPYWBA-LLVKDONJSA-N 1 0 227.348 1.839 10 0 BDAERO CCC[C@H](C)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000668541298 487910071 /nfs/dbraw/zinc/91/00/71/487910071.db2.gz MDGGRUCOGMWAGM-WDEREUQCSA-N 1 0 227.352 1.616 10 0 BDAERO c1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000004238171 487910311 /nfs/dbraw/zinc/91/03/11/487910311.db2.gz LGAFOJWLXLMHLW-CYBMUJFWSA-N 1 0 217.316 1.662 10 0 BDAERO CCC[C@H](C)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000668541922 487913212 /nfs/dbraw/zinc/91/32/12/487913212.db2.gz WYXFUNMURWVVHU-QWRGUYRKSA-N 1 0 227.352 1.698 10 0 BDAERO Cc1oc(C)c(C(=O)NCC[C@@H](C)[NH3+])c1C ZINC000083521237 487916394 /nfs/dbraw/zinc/91/63/94/487916394.db2.gz PNPHBSDJNYFJOT-SSDOTTSWSA-N 1 0 224.304 1.672 10 0 BDAERO Cc1nnc(NCc2ccc(C[NH3+])cc2)s1 ZINC000083583519 487923119 /nfs/dbraw/zinc/92/31/19/487923119.db2.gz GBMNQHRKFHYNRW-UHFFFAOYSA-N 1 0 234.328 1.917 10 0 BDAERO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000235143260 487925254 /nfs/dbraw/zinc/92/52/54/487925254.db2.gz JADIGLLAFMYLQB-IQJOONFLSA-N 1 0 210.321 1.004 10 0 BDAERO CCCc1nsc(N(CC)CC[NH3+])n1 ZINC000083675729 487927055 /nfs/dbraw/zinc/92/70/55/487927055.db2.gz XRUIOBLVSJUCEQ-UHFFFAOYSA-N 1 0 214.338 1.276 10 0 BDAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000667007662 487928017 /nfs/dbraw/zinc/92/80/17/487928017.db2.gz NCXAGDQSOMNRDF-SRVKXCTJSA-N 1 0 228.380 1.371 10 0 BDAERO CCC(C)(C)[C@H](C)NC(=O)C1([NH3+])CCOCC1 ZINC000659339715 487941679 /nfs/dbraw/zinc/94/16/79/487941679.db2.gz KOTGSFRBNYOCAY-JTQLQIEISA-N 1 0 242.363 1.435 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCC(F)(F)C1 ZINC000405170105 487942216 /nfs/dbraw/zinc/94/22/16/487942216.db2.gz SOBGAPZTBAPNPV-UWVGGRQHSA-N 1 0 246.301 1.632 10 0 BDAERO CCn1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000302288515 487954740 /nfs/dbraw/zinc/95/47/40/487954740.db2.gz KECUUSQOGSRHCD-UWVGGRQHSA-N 1 0 236.319 1.217 10 0 BDAERO COc1ccnc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000257653643 322872424 /nfs/dbraw/zinc/87/24/24/322872424.db2.gz ODRFGUKYYIVEOD-DTWKUNHWSA-N 1 0 222.292 1.025 10 0 BDAERO CCOC[C@H](O)C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000570921340 323074327 /nfs/dbraw/zinc/07/43/27/323074327.db2.gz XJKFOXFLGOJTPV-GMXVVIOVSA-N 1 0 245.363 1.177 10 0 BDAERO CCSCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233817632 323104898 /nfs/dbraw/zinc/10/48/98/323104898.db2.gz BOEJXGNUNFCYES-GMTAPVOTSA-N 1 0 244.404 1.490 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000563448976 323126337 /nfs/dbraw/zinc/12/63/37/323126337.db2.gz DEPNDOQDWNWRLJ-FOMPKITHSA-N 1 0 236.359 1.631 10 0 BDAERO CC[C@H](C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000248374339 323134646 /nfs/dbraw/zinc/13/46/46/323134646.db2.gz PPCYTAQYVKRWEO-NWDGAFQWSA-N 1 0 222.336 1.789 10 0 BDAERO C[C@@H]1C[C@H](C)C[N@@H+](CCSC[C@@H](O)CO)C1 ZINC000319083214 323139304 /nfs/dbraw/zinc/13/93/04/323139304.db2.gz PQYHXQUNDROVJY-TUAOUCFPSA-N 1 0 247.404 1.051 10 0 BDAERO CC[C@H]([NH2+]CC1CC(O)C1)[C@@H]1CCOC1 ZINC000308810540 323178989 /nfs/dbraw/zinc/17/89/89/323178989.db2.gz QBEVOAKFDCCQMB-RSJDFQLWSA-N 1 0 213.321 1.162 10 0 BDAERO CC[C@@H]([NH2+]CC1CC(O)C1)[C@@H]1CCOC1 ZINC000308810541 323179049 /nfs/dbraw/zinc/17/90/49/323179049.db2.gz QBEVOAKFDCCQMB-RUJICJSRSA-N 1 0 213.321 1.162 10 0 BDAERO CCCC1(C[NH2+]CC2(O)CCOCC2)CC1 ZINC000571670692 323182404 /nfs/dbraw/zinc/18/24/04/323182404.db2.gz FUWFLEQCHKRTMK-UHFFFAOYSA-N 1 0 227.348 1.698 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](O)[C@@H]2C)O1 ZINC000395027339 323185334 /nfs/dbraw/zinc/18/53/34/323185334.db2.gz SSTUPGBIRPMBAN-KXNHARMFSA-N 1 0 213.321 1.399 10 0 BDAERO Cc1nccn1CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398764086 323192069 /nfs/dbraw/zinc/19/20/69/323192069.db2.gz INWRVLFAQLYPKP-IHRRRGAJSA-N 1 0 249.358 1.284 10 0 BDAERO CC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccnn1C ZINC000521401876 323201476 /nfs/dbraw/zinc/20/14/76/323201476.db2.gz QPVYKOWOJOYLCH-VXGBXAGGSA-N 1 0 223.320 1.328 10 0 BDAERO C[C@@H](C[NH3+])Nc1ccc(OC(F)F)cn1 ZINC000327645132 323204174 /nfs/dbraw/zinc/20/41/74/323204174.db2.gz SCAXBXNQDWQOBV-LURJTMIESA-N 1 0 217.219 1.442 10 0 BDAERO OCCOCC[NH2+]Cc1ccnc2ccccc12 ZINC000104421930 323273845 /nfs/dbraw/zinc/27/38/45/323273845.db2.gz DWTKVYCXAMINGW-UHFFFAOYSA-N 1 0 246.310 1.333 10 0 BDAERO CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1CCCO1)[C@@H](C)[NH3+] ZINC000399505234 323396400 /nfs/dbraw/zinc/39/64/00/323396400.db2.gz LBXMWJALXLFYSK-WYUUTHIRSA-N 1 0 242.363 1.290 10 0 BDAERO Cc1csc([C@@H]2CCCN2C(=O)CC[NH3+])n1 ZINC000083888614 487959759 /nfs/dbraw/zinc/95/97/59/487959759.db2.gz WAKHGDZSYGRWOR-VIFPVBQESA-N 1 0 239.344 1.464 10 0 BDAERO C[C@H](NC(=O)N[C@H]1C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000119437438 323924806 /nfs/dbraw/zinc/92/48/06/323924806.db2.gz ADIINZFSLFLEMG-VWYCJHECSA-N 1 0 241.379 1.670 10 0 BDAERO [NH2+]=C(NO)[C@H]1CCC(=O)N(c2ccccc2)C1 ZINC000536948740 323950814 /nfs/dbraw/zinc/95/08/14/323950814.db2.gz NBQRTMKSARTJAR-VIFPVBQESA-N 1 0 233.271 1.386 10 0 BDAERO Cc1ccc(C)c2c1OC[C@](C)(C[NH3+])O2 ZINC000536954193 323962817 /nfs/dbraw/zinc/96/28/17/323962817.db2.gz KWHXUCSBQCQUST-LBPRGKRZSA-N 1 0 207.273 1.792 10 0 BDAERO CC(C)Oc1ccn(C2CC[NH2+]CC2)n1 ZINC000536954993 323964457 /nfs/dbraw/zinc/96/44/57/323964457.db2.gz PJWSXRNARZWRQX-UHFFFAOYSA-N 1 0 209.293 1.595 10 0 BDAERO COCCn1ccnc1[C@H]1[NH2+]CC12CCC2 ZINC000536956403 323967153 /nfs/dbraw/zinc/96/71/53/323967153.db2.gz ZHDVJIVLJJWCPW-SNVBAGLBSA-N 1 0 221.304 1.344 10 0 BDAERO CCCC[C@@H](COC)[NH2+][C@@H]1CCO[C@@H]1C ZINC000121259481 324007383 /nfs/dbraw/zinc/00/73/83/324007383.db2.gz OPDQBPCPYBXZTQ-GRYCIOLGSA-N 1 0 215.337 1.959 10 0 BDAERO COCC(C)(C)NC(=O)C1CCC([NH3+])CC1 ZINC000083916588 487966483 /nfs/dbraw/zinc/96/64/83/487966483.db2.gz BBCRUZVMLPDPIY-UHFFFAOYSA-N 1 0 228.336 1.045 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(F)cn3)C[C@H]12 ZINC000310942604 325012885 /nfs/dbraw/zinc/01/28/85/325012885.db2.gz KDJGCYRHGHEYRV-DVVUODLYSA-N 1 0 249.289 1.030 10 0 BDAERO CC(C)Oc1cncc(NCC[C@H](C)[NH3+])n1 ZINC000070580137 325017178 /nfs/dbraw/zinc/01/71/78/325017178.db2.gz CUYFBVBRQUHQKY-VIFPVBQESA-N 1 0 224.308 1.413 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC000131001601 325106950 /nfs/dbraw/zinc/10/69/50/325106950.db2.gz YEEGDKJTVSQVGY-SNVBAGLBSA-N 1 0 227.352 1.378 10 0 BDAERO CC[N@H+](CC(=O)N[C@@H](C)[C@@H]1CCCO1)C1CC1 ZINC000131027434 325108339 /nfs/dbraw/zinc/10/83/39/325108339.db2.gz XQHGZZUHIIIJFY-JQWIXIFHSA-N 1 0 240.347 1.154 10 0 BDAERO O=C(Nc1cccc2ccncc21)[C@@H]1CC[NH2+]C1 ZINC000131173670 325123221 /nfs/dbraw/zinc/12/32/21/325123221.db2.gz KSYGBHUYWFGTTB-LLVKDONJSA-N 1 0 241.294 1.783 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2ccn(C)n2)C[C@H](C)O1 ZINC000545253949 325202919 /nfs/dbraw/zinc/20/29/19/325202919.db2.gz KQACJZBFGGKPOY-QWRGUYRKSA-N 1 0 237.347 1.713 10 0 BDAERO COc1cccnc1NCCn1cc(C)cn1 ZINC000234949266 325243716 /nfs/dbraw/zinc/24/37/16/325243716.db2.gz KPSQYFXJSDPVMB-UHFFFAOYSA-N 1 0 232.287 1.707 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCCSC)C1 ZINC000134856474 325379372 /nfs/dbraw/zinc/37/93/72/325379372.db2.gz JKEWEFWMXDSQKJ-LLVKDONJSA-N 1 0 244.404 1.730 10 0 BDAERO CC(C)[C@H](C)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000081059612 325490145 /nfs/dbraw/zinc/49/01/45/325490145.db2.gz MSRLFKZHSDZFMS-PWSUYJOCSA-N 1 0 212.337 1.537 10 0 BDAERO CCC[C@@H](C(=O)N1CC[C@H](CC)C1)[NH+](C)C ZINC000153544587 326101954 /nfs/dbraw/zinc/10/19/54/326101954.db2.gz OEFIMJCZCCLEKO-RYUDHWBXSA-N 1 0 226.364 1.975 10 0 BDAERO CC1CC(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000567657769 326239666 /nfs/dbraw/zinc/23/96/66/326239666.db2.gz OWMGYPCIMGYBDG-RSJDFQLWSA-N 1 0 224.348 1.476 10 0 BDAERO CC(C)=CCC[NH2+]CC1(O)CCOCC1 ZINC000567699555 326247769 /nfs/dbraw/zinc/24/77/69/326247769.db2.gz SEZCXXRZDGRNTK-UHFFFAOYSA-N 1 0 213.321 1.474 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000568737335 326374205 /nfs/dbraw/zinc/37/42/05/326374205.db2.gz MSBNUHQWBHQYJT-JQWIXIFHSA-N 1 0 240.347 1.060 10 0 BDAERO CC(C)OC(=O)NCC1([NH+](C)C)CCC1 ZINC000165191997 326419919 /nfs/dbraw/zinc/41/99/19/326419919.db2.gz AFWQGHXEQBSEPF-UHFFFAOYSA-N 1 0 214.309 1.605 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000158773727 487975470 /nfs/dbraw/zinc/97/54/70/487975470.db2.gz OVLDNOVCJFKKRD-YUSALJHKSA-N 1 0 224.348 1.524 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC1CCSCC1 ZINC000158780500 487975504 /nfs/dbraw/zinc/97/55/04/487975504.db2.gz JUEHXBHZHFCATL-GXSJLCMTSA-N 1 0 242.388 1.373 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCS1 ZINC000158784642 487975106 /nfs/dbraw/zinc/97/51/06/487975106.db2.gz KQOPGCRZMPPPRB-MXWKQRLJSA-N 1 0 242.388 1.325 10 0 BDAERO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158767595 487975157 /nfs/dbraw/zinc/97/51/57/487975157.db2.gz MPTKOXMOAKYGCC-GWOFURMSSA-N 1 0 210.321 1.134 10 0 BDAERO CC1CC(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000158800265 487976529 /nfs/dbraw/zinc/97/65/29/487976529.db2.gz MJWABLHQAARATP-DJRKXVOMSA-N 1 0 210.321 1.276 10 0 BDAERO CC1(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000229902826 487986688 /nfs/dbraw/zinc/98/66/88/487986688.db2.gz KGKXMSLNCUJAFD-MNOVXSKESA-N 1 0 240.347 1.047 10 0 BDAERO CC[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1[NH3+] ZINC000147313795 487999336 /nfs/dbraw/zinc/99/93/36/487999336.db2.gz IOXQRCLCXCPHTC-HTQZYQBOSA-N 1 0 238.253 1.525 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1cccs1 ZINC000084309130 488043017 /nfs/dbraw/zinc/04/30/17/488043017.db2.gz ZJVKVMWFWFLSNY-KOLCDFICSA-N 1 0 238.356 1.739 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccccn1 ZINC000084308656 488043294 /nfs/dbraw/zinc/04/32/94/488043294.db2.gz GQAJNQMHFDSMPN-VHSXEESVSA-N 1 0 219.288 1.395 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccsc1 ZINC000084310886 488044814 /nfs/dbraw/zinc/04/48/14/488044814.db2.gz PAKJWIREVSMBGY-QWRGUYRKSA-N 1 0 238.356 1.739 10 0 BDAERO Cc1c(-c2ncc(C[NH3+])s2)cnn1C ZINC000084387407 488049831 /nfs/dbraw/zinc/04/98/31/488049831.db2.gz IAMOHBOXKQDHQQ-UHFFFAOYSA-N 1 0 208.290 1.311 10 0 BDAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000052395670 488055213 /nfs/dbraw/zinc/05/52/13/488055213.db2.gz SGHFRGHSLZJECX-ONGXEEELSA-N 1 0 234.299 1.234 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000052395659 488055551 /nfs/dbraw/zinc/05/55/51/488055551.db2.gz VQWGXBCTKFFKRR-NXEZZACHSA-N 1 0 236.315 1.480 10 0 BDAERO CC(C)=CC(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(C)o2)C1 ZINC000091690861 488059879 /nfs/dbraw/zinc/05/98/79/488059879.db2.gz GGQQTXCMOANMQY-RYUDHWBXSA-N 1 0 248.326 1.807 10 0 BDAERO CCc1nnc(NC(=O)C[C@H]([NH3+])C(C)C)s1 ZINC000225809292 488080730 /nfs/dbraw/zinc/08/07/30/488080730.db2.gz GTVJDLZQKORWJK-ZETCQYMHSA-N 1 0 242.348 1.412 10 0 BDAERO C[NH+](C)[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000248147058 488084361 /nfs/dbraw/zinc/08/43/61/488084361.db2.gz WDPFUWGXYAWFNA-GJZGRUSLSA-N 1 0 248.370 1.431 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1c(C)noc1C ZINC000092329935 488089031 /nfs/dbraw/zinc/08/90/31/488089031.db2.gz BUOJEPWWZBDWKX-OIBJUYFYSA-N 1 0 239.319 1.596 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000092349855 488090683 /nfs/dbraw/zinc/09/06/83/488090683.db2.gz VHNJOXBGHGKFDY-CMPLNLGQSA-N 1 0 233.315 1.704 10 0 BDAERO CC(C)COCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136310666 488093965 /nfs/dbraw/zinc/09/39/65/488093965.db2.gz GFFXMWJPHHQPAQ-GFCCVEGCSA-N 1 0 244.379 1.539 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000136336963 488095786 /nfs/dbraw/zinc/09/57/86/488095786.db2.gz WRIUHTZDPFXGLO-NSHDSACASA-N 1 0 246.314 1.875 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)CCO2 ZINC000136360664 488098342 /nfs/dbraw/zinc/09/83/42/488098342.db2.gz CCWHIWYZNJWBFL-GFCCVEGCSA-N 1 0 248.326 1.933 10 0 BDAERO CCCn1nccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000160167972 488112636 /nfs/dbraw/zinc/11/26/36/488112636.db2.gz FNPCZQUVRSMUHE-DGCLKSJQSA-N 1 0 237.347 1.544 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)CC[C@H](C)[NH3+])o1 ZINC000231743085 488116212 /nfs/dbraw/zinc/11/62/12/488116212.db2.gz YBKJQWLESWSMQM-CBAPKCEASA-N 1 0 225.292 1.288 10 0 BDAERO CN(Cc1ccsc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085010262 488121196 /nfs/dbraw/zinc/12/11/96/488121196.db2.gz HYYVRPKKJFVSFF-QWRGUYRKSA-N 1 0 238.356 1.834 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000085012635 488122345 /nfs/dbraw/zinc/12/23/45/488122345.db2.gz ZQTIHKYDUOQQPO-KKOKHZNYSA-N 1 0 224.348 1.761 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)[C@H]1C[C@@H]1C ZINC000321168706 488129895 /nfs/dbraw/zinc/12/98/95/488129895.db2.gz YEHXKQQISQNIBA-CRWXNKLISA-N 1 0 240.391 1.731 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000382466792 487544179 /nfs/dbraw/zinc/54/41/79/487544179.db2.gz MUNSCUXSGQIAOW-ROHXPCBUSA-N 1 0 222.332 1.419 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2CO)o1 ZINC000685572431 487552631 /nfs/dbraw/zinc/55/26/31/487552631.db2.gz MHJNPGFOIIJTQR-RYUDHWBXSA-N 1 0 238.331 1.932 10 0 BDAERO CCc1ccc(CNC(=O)[C@@H](C)[NH2+]C)s1 ZINC000225344640 487553598 /nfs/dbraw/zinc/55/35/98/487553598.db2.gz FLFDEHCFZBQJSS-MRVPVSSYSA-N 1 0 226.345 1.535 10 0 BDAERO OC[C@H]1COCC[N@@H+]1CCC1CCCCC1 ZINC000300753618 487531689 /nfs/dbraw/zinc/53/16/89/487531689.db2.gz LWICJQDZZAMISV-ZDUSSCGKSA-N 1 0 227.348 1.650 10 0 BDAERO CC(C)[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000323953826 487470910 /nfs/dbraw/zinc/47/09/10/487470910.db2.gz DSOVXRGZEGURHA-GHMZBOCLSA-N 1 0 210.321 1.147 10 0 BDAERO CC(C)([NH3+])CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000085988346 487471161 /nfs/dbraw/zinc/47/11/61/487471161.db2.gz GWNYHZCLRBXWKA-GHMZBOCLSA-N 1 0 242.363 1.171 10 0 BDAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000231743148 487472556 /nfs/dbraw/zinc/47/25/56/487472556.db2.gz PGXKKSFEWLEJHC-VXNVDRBHSA-N 1 0 225.292 1.016 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C(C)C)C1CC1 ZINC000324037547 487497566 /nfs/dbraw/zinc/49/75/66/487497566.db2.gz VRHUZOYNLZVGOK-GHMZBOCLSA-N 1 0 212.337 1.665 10 0 BDAERO OCC[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCC1 ZINC000381178530 487501234 /nfs/dbraw/zinc/50/12/34/487501234.db2.gz VRWSMAWOUWGPIP-DGCLKSJQSA-N 1 0 227.348 1.384 10 0 BDAERO [NH3+]C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCCC1 ZINC000300141077 487502583 /nfs/dbraw/zinc/50/25/83/487502583.db2.gz NWHXLDBFZGTYME-RNJOBUHISA-N 1 0 236.359 1.666 10 0 BDAERO CO[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1(C)C ZINC000300389840 487511996 /nfs/dbraw/zinc/51/19/96/487511996.db2.gz QKDLLMIOTHAZTR-ZNSHCXBVSA-N 1 0 213.321 1.303 10 0 BDAERO CCOCC[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000308819298 487522748 /nfs/dbraw/zinc/52/27/48/487522748.db2.gz BWNVCUJWRDZEAL-NEPJUHHUSA-N 1 0 215.337 1.506 10 0 BDAERO Cc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)no1 ZINC000128857194 487559699 /nfs/dbraw/zinc/55/96/99/487559699.db2.gz UWXALHNORKFXHP-MRVPVSSYSA-N 1 0 211.265 1.295 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CCSC ZINC000175360673 487598101 /nfs/dbraw/zinc/59/81/01/487598101.db2.gz IXAJHYDFNJMTIX-NSHDSACASA-N 1 0 216.394 1.766 10 0 BDAERO CC[C@@H]1COCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000309806442 487724915 /nfs/dbraw/zinc/72/49/15/487724915.db2.gz XTPTWDJEGFJULZ-YNEHKIRRSA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)[C@H](C)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000252429083 487824217 /nfs/dbraw/zinc/82/42/17/487824217.db2.gz PCQYFNBXOLXMKO-JGVFFNPUSA-N 1 0 212.259 1.852 10 0 BDAERO CCCn1nccc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000164856566 487903419 /nfs/dbraw/zinc/90/34/19/487903419.db2.gz BTDGCUGEZVNBQT-PWSUYJOCSA-N 1 0 223.320 1.560 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1ccccn1 ZINC000160864911 488173872 /nfs/dbraw/zinc/17/38/72/488173872.db2.gz CTGGREWNIHKQTJ-SDDRHHMPSA-N 1 0 247.342 1.634 10 0 BDAERO Cc1oc(C)c(C(=O)NC[C@H]2CC[NH2+]C2)c1C ZINC000133610082 488174007 /nfs/dbraw/zinc/17/40/07/488174007.db2.gz LNFFVSZCYNLLPL-NSHDSACASA-N 1 0 236.315 1.544 10 0 BDAERO c1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)on1 ZINC000667978576 488174491 /nfs/dbraw/zinc/17/44/91/488174491.db2.gz HQDHECCACJBIAA-MWLCHTKSSA-N 1 0 208.261 1.332 10 0 BDAERO [NH3+]C1CCC(C(=O)N2CCCC(F)(F)C2)CC1 ZINC000259569752 488179286 /nfs/dbraw/zinc/17/92/86/488179286.db2.gz SVHSJMAOAXMGHJ-UHFFFAOYSA-N 1 0 246.301 1.762 10 0 BDAERO Cc1ncccc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398808792 488224640 /nfs/dbraw/zinc/22/46/40/488224640.db2.gz WAWOWYGRWUUAEU-KKUMJFAQSA-N 1 0 246.354 1.983 10 0 BDAERO CCC[C@H](C(=O)Nc1cc(CC)[nH]n1)[NH+](C)C 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C[C@H](CO)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000228201164 491091695 /nfs/dbraw/zinc/09/16/95/491091695.db2.gz JFKDNTXHFDSQMB-XQQFMLRXSA-N 1 0 227.348 1.242 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccnn1C(C)C ZINC000136294956 491112158 /nfs/dbraw/zinc/11/21/58/491112158.db2.gz DTWYBLXRTHXYFB-JTQLQIEISA-N 1 0 238.335 1.776 10 0 BDAERO C([NH2+]C1CSC1)[C@@H]1CC12CCOCC2 ZINC000307696581 491134295 /nfs/dbraw/zinc/13/42/95/491134295.db2.gz KMHUCRRIQVXLRO-VIFPVBQESA-N 1 0 213.346 1.508 10 0 BDAERO Cn1cnc(C[NH2+][C@@H]2CCCC[C@H]2CO)c1 ZINC000309762128 491155997 /nfs/dbraw/zinc/15/59/97/491155997.db2.gz MUNUSQZDARCGGC-CMPLNLGQSA-N 1 0 223.320 1.061 10 0 BDAERO CC(C)n1cc(C[NH2+][C@H]2CCC[C@H](O)C2)nn1 ZINC000310305653 491161013 /nfs/dbraw/zinc/16/10/13/491161013.db2.gz OWYFZAHDKDNFMP-JQWIXIFHSA-N 1 0 238.335 1.252 10 0 BDAERO C[C@@H]1[NH2+][C@]2(CCCSC2)OCC12CC2 ZINC000757138306 582517367 /nfs/dbraw/zinc/51/73/67/582517367.db2.gz BHRHVFUBAGKTID-GXSJLCMTSA-N 1 0 213.346 1.998 10 0 BDAERO CC1(C)C[NH2+]C2(CCC2)O[C@]12CCOC2 ZINC000757138579 582518155 /nfs/dbraw/zinc/51/81/55/582518155.db2.gz CEOOIPRYGIPOFK-NSHDSACASA-N 1 0 211.305 1.672 10 0 BDAERO [NH3+]C[C@H]1CCN1CCSc1ccccc1 ZINC000757140595 582521094 /nfs/dbraw/zinc/52/10/94/582521094.db2.gz AFBTZOOCPACEPQ-LLVKDONJSA-N 1 0 222.357 1.812 10 0 BDAERO CC(C)[C@H]1O[C@@]2(CCN(C)C2)[NH2+]CC12CC2 ZINC000757148265 582531929 /nfs/dbraw/zinc/53/19/29/582531929.db2.gz TYGOSPBYOTXKED-DGCLKSJQSA-N 1 0 224.348 1.443 10 0 BDAERO Cc1nc(CN2CC[C@@H]2C[NH3+])c(C)s1 ZINC000757148381 582532563 /nfs/dbraw/zinc/53/25/63/582532563.db2.gz SFDDAJGZYLAVFB-SECBINFHSA-N 1 0 211.334 1.293 10 0 BDAERO CCOc1cccnc1N1CC[C@H]1C[NH3+] ZINC000757151589 582535650 /nfs/dbraw/zinc/53/56/50/582535650.db2.gz QCLBVMSDABPXJZ-VIFPVBQESA-N 1 0 207.277 1.018 10 0 BDAERO CCOCCCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261541501 535491747 /nfs/dbraw/zinc/49/17/47/535491747.db2.gz BDSRUXNXFWJJOP-NSHDSACASA-N 1 0 242.363 1.389 10 0 BDAERO C[C@@H]([NH3+])[C@H](CO)SCc1ccc(Cl)o1 ZINC000757168557 582549306 /nfs/dbraw/zinc/54/93/06/582549306.db2.gz BXOSQHVISZLMGN-SVRRBLITSA-N 1 0 235.736 1.874 10 0 BDAERO Cc1ccoc1CS[C@@H](C)[C@H]([NH3+])C(N)=O ZINC000757167917 582549502 /nfs/dbraw/zinc/54/95/02/582549502.db2.gz ZRHMBMJDKOTCON-CBAPKCEASA-N 1 0 228.317 1.022 10 0 BDAERO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CNC(=O)O1 ZINC000496947281 533829894 /nfs/dbraw/zinc/82/98/94/533829894.db2.gz TXFXVMHNTWQSEH-KXUCPTDWSA-N 1 0 212.293 1.358 10 0 BDAERO CC[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000037090255 535516124 /nfs/dbraw/zinc/51/61/24/535516124.db2.gz JGYKITZORIPQMP-JTQLQIEISA-N 1 0 206.293 1.055 10 0 BDAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000245444352 535819208 /nfs/dbraw/zinc/81/92/08/535819208.db2.gz JOSTURGNGSQDKJ-HZSPNIEDSA-N 1 0 240.391 1.875 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCC(OC)CC1 ZINC000229381213 535844763 /nfs/dbraw/zinc/84/47/63/535844763.db2.gz ROATWTXSTIOVSH-NSHDSACASA-N 1 0 201.310 1.258 10 0 BDAERO 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1 0 245.330 1.615 10 0 BDAERO [NH3+]C[C@H]1CCN1c1nc2ccccc2[nH]1 ZINC000757153070 586429297 /nfs/dbraw/zinc/42/92/97/586429297.db2.gz SPXZZJWZJDCBRL-MRVPVSSYSA-N 1 0 202.261 1.100 10 0 BDAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])CC(C)(C)C ZINC000757152100 586429535 /nfs/dbraw/zinc/42/95/35/586429535.db2.gz UVCXOFOUFXRRDF-VIFPVBQESA-N 1 0 236.381 1.031 10 0 BDAERO C[NH2+][C@@](C)(CO)CSCc1occc1C ZINC000757166754 586432448 /nfs/dbraw/zinc/43/24/48/586432448.db2.gz WXTXTDCDEFKKNV-NSHDSACASA-N 1 0 229.345 1.792 10 0 BDAERO [NH3+]C[C@H]1CC(=O)Nc2c(F)c(F)ccc21 ZINC000757175946 586433137 /nfs/dbraw/zinc/43/31/37/586433137.db2.gz ODPAVPJPJPJERU-RXMQYKEDSA-N 1 0 212.199 1.349 10 0 BDAERO COC(=O)C1(c2cc(F)cc(F)c2)CC([NH3+])C1 ZINC000757178345 586433661 /nfs/dbraw/zinc/43/36/61/586433661.db2.gz UGUKDIPHRANNJB-UHFFFAOYSA-N 1 0 241.237 1.497 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(N)cc1 ZINC000757185361 586433904 /nfs/dbraw/zinc/43/39/04/586433904.db2.gz TXGSXMZPYCAJHO-NEPJUHHUSA-N 1 0 234.299 1.135 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ncc[nH]1 ZINC000757185832 586433965 /nfs/dbraw/zinc/43/39/65/586433965.db2.gz AXYWUFIVKNNREK-BDAKNGLRSA-N 1 0 237.303 1.054 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(F)nc1 ZINC000757189363 586435136 /nfs/dbraw/zinc/43/51/36/586435136.db2.gz NDSRXOGFUYFUBE-UWVGGRQHSA-N 1 0 238.262 1.087 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)o1 ZINC000757191334 586435602 /nfs/dbraw/zinc/43/56/02/586435602.db2.gz UHXZTBSUDHNKDY-RNFRBKRXSA-N 1 0 229.663 1.409 10 0 BDAERO NC[C@H]1CC[C@@H](c2ccc(C=O)s2)C[NH2+]1 ZINC000757211649 586437381 /nfs/dbraw/zinc/43/73/81/586437381.db2.gz HZLOBHZNLCJRHN-RKDXNWHRSA-N 1 0 224.329 1.355 10 0 BDAERO [NH3+]Cc1ccc([C@H]2CCC[NH2+][C@H]2C(=O)[O-])cc1 ZINC000757206878 586437599 /nfs/dbraw/zinc/43/75/99/586437599.db2.gz AQAFHFGWBOLBCM-VXGBXAGGSA-N 1 0 234.299 1.066 10 0 BDAERO C[C@@H]1CCN[C@@H](c2cccc(C=O)c2)[C@@H]1[NH3+] ZINC000757207952 586437659 /nfs/dbraw/zinc/43/76/59/586437659.db2.gz BZHQVRBGQQKYKQ-WQAKAFBOSA-N 1 0 218.300 1.497 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2CC[C@H](C(=O)[O-])[NH2+]C2)c1 ZINC000757207806 586437770 /nfs/dbraw/zinc/43/77/70/586437770.db2.gz BVRLHPMTYRLSGC-VXGBXAGGSA-N 1 0 234.299 1.066 10 0 BDAERO C[C@@H]1CCN[C@@H](c2ccc(C=O)s2)[C@@H]1[NH3+] ZINC000757207236 586438088 /nfs/dbraw/zinc/43/80/88/586438088.db2.gz BHDRYEKVERJLIK-ONOSFVFSSA-N 1 0 224.329 1.558 10 0 BDAERO [NH3+]C[C@H]1OCCC12CCC(F)(F)CC2 ZINC000757209199 586438322 /nfs/dbraw/zinc/43/83/22/586438322.db2.gz IHLCAVJBVOXRTF-MRVPVSSYSA-N 1 0 205.248 1.930 10 0 BDAERO [NH3+][C@H]1CCCN[C@@H]1c1cccc(C=O)c1 ZINC000757213440 586439999 /nfs/dbraw/zinc/43/99/99/586439999.db2.gz KFLYDZYUGRYZNT-NWDGAFQWSA-N 1 0 204.273 1.251 10 0 BDAERO C[C@@H]1CN[C@H](c2cccc(C=O)c2)[C@@H]([NH3+])C1 ZINC000757217553 586441645 /nfs/dbraw/zinc/44/16/45/586441645.db2.gz SEHYQMFNGRZMKW-TVYUQYBPSA-N 1 0 218.300 1.497 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2ccc(C=O)s2)NC1 ZINC000757220803 586442160 /nfs/dbraw/zinc/44/21/60/586442160.db2.gz ZNUHAIHLLBYYAY-APPZFPTMSA-N 1 0 210.302 1.312 10 0 BDAERO C[C@@H]1C[C@@H](c2cccc(N)c2)NC[C@H]1[NH3+] ZINC000757219557 586442247 /nfs/dbraw/zinc/44/22/47/586442247.db2.gz YZGQIVIUTCPPDS-FXAINCCUSA-N 1 0 205.305 1.267 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2CC[NH2+][C@H](C(=O)[O-])C2)c1 ZINC000757220822 586442406 /nfs/dbraw/zinc/44/24/06/586442406.db2.gz ZONSAOILFSZTNA-NEPJUHHUSA-N 1 0 234.299 1.066 10 0 BDAERO C[C@@H]1CCC[C@@]2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000757225311 586442697 /nfs/dbraw/zinc/44/26/97/586442697.db2.gz SRCBYUQYZRSUNW-FOGDFJRCSA-N 1 0 211.305 1.847 10 0 BDAERO CCn1cc([C@@H]2CC[C@H]([NH3+])[C@@H](C)N2)cn1 ZINC000757228159 586442848 /nfs/dbraw/zinc/44/28/48/586442848.db2.gz BWDZMHPSVWTBBV-MIMYLULJSA-N 1 0 208.309 1.043 10 0 BDAERO CC(C)(C)n1cc([C@H]2CC[C@H]([NH3+])CN2)cn1 ZINC000757231115 586443058 /nfs/dbraw/zinc/44/30/58/586443058.db2.gz GKBLHDPJTVFYOQ-WDEREUQCSA-N 1 0 222.336 1.390 10 0 BDAERO CC(C)(C)n1cc([C@H]2C[C@@H]([NH3+])CCN2)cn1 ZINC000757238560 586444051 /nfs/dbraw/zinc/44/40/51/586444051.db2.gz SSGNZIXWFJEPNP-WDEREUQCSA-N 1 0 222.336 1.390 10 0 BDAERO CCCn1c2ncccc2nc1N1CC[NH2+]CC1 ZINC000757564682 586461186 /nfs/dbraw/zinc/46/11/86/586461186.db2.gz FHBFLZLGMYSWJH-UHFFFAOYSA-N 1 0 245.330 1.251 10 0 BDAERO C[C@@H]([NH3+])CNc1nc2c(cccc2F)o1 ZINC000107207866 588342532 /nfs/dbraw/zinc/34/25/32/588342532.db2.gz QWIKTZAVBIFFEH-ZCFIWIBFSA-N 1 0 209.224 1.726 10 0 BDAERO Cc1cc2c(ncnc2N2CC[C@H](C[NH3+])C2)s1 ZINC000110779276 588695863 /nfs/dbraw/zinc/69/58/63/588695863.db2.gz FZNPQCZXFITRHN-SECBINFHSA-N 1 0 248.355 1.785 10 0 BDAERO COC(=O)[C@@](C)([NH3+])C[C@H](C)n1nccc1C ZINC000203546987 589247005 /nfs/dbraw/zinc/24/70/05/589247005.db2.gz DZGCZVIDBWKQHW-ONGXEEELSA-N 1 0 225.292 1.033 10 0 BDAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)n1nccc1C ZINC000203547005 589247085 /nfs/dbraw/zinc/24/70/85/589247085.db2.gz DZGCZVIDBWKQHW-MWLCHTKSSA-N 1 0 225.292 1.033 10 0 BDAERO Cn1ccnc1-c1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000122175263 589560866 /nfs/dbraw/zinc/56/08/66/589560866.db2.gz GOICHYNYKUXATF-IUCAKERBSA-N 1 0 247.302 1.313 10 0 BDAERO COC(C[N@@H+]1CCS[C@@H](C)C1)OC ZINC000122379496 589585161 /nfs/dbraw/zinc/58/51/61/589585161.db2.gz ZYGYGHSWPISXHC-QMMMGPOBSA-N 1 0 205.323 1.043 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCCSC)C[C@H]1C ZINC000122842970 589638742 /nfs/dbraw/zinc/63/87/42/589638742.db2.gz QQIUHOMYNXGNAM-ZJUUUORDSA-N 1 0 231.361 1.480 10 0 BDAERO C[C@@H]([NH2+]CCc1ccccc1)C(=O)N(C)C ZINC000020307542 590097621 /nfs/dbraw/zinc/09/76/21/590097621.db2.gz SPWRFQZMWOHEIM-LLVKDONJSA-N 1 0 220.316 1.295 10 0 BDAERO Cc1cc2c(ncnc2N(C)[C@@H](C)C[NH3+])s1 ZINC000125505479 590166807 /nfs/dbraw/zinc/16/68/07/590166807.db2.gz LTQXFMFVJVGBRJ-ZETCQYMHSA-N 1 0 236.344 1.783 10 0 BDAERO [NH3+]CC[C@@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000126489875 590320364 /nfs/dbraw/zinc/32/03/64/590320364.db2.gz RSPFRPJIAINPDA-VIFPVBQESA-N 1 0 240.738 1.695 10 0 BDAERO [NH3+][C@@H](CNc1cncc(Cl)n1)C1CC1 ZINC000126513029 590324182 /nfs/dbraw/zinc/32/41/82/590324182.db2.gz NGNIRHUUDXDTID-ZETCQYMHSA-N 1 0 212.684 1.279 10 0 BDAERO c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCSC1 ZINC000128319896 590977716 /nfs/dbraw/zinc/97/77/16/590977716.db2.gz ZKKAPTPXOISOBM-UWVGGRQHSA-N 1 0 238.360 1.598 10 0 BDAERO C[C@@H](O)c1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000213262362 591457615 /nfs/dbraw/zinc/45/76/15/591457615.db2.gz GPODKIWTZXLEAQ-PWSUYJOCSA-N 1 0 235.331 1.275 10 0 BDAERO Cc1nn(-c2ccc(O)cc2)c(C)c1C[NH3+] ZINC000213370863 591465995 /nfs/dbraw/zinc/46/59/95/591465995.db2.gz PCUPUEVVMZFPGE-UHFFFAOYSA-N 1 0 217.272 1.653 10 0 BDAERO CO[C@@H](c1noc([C@H]2CC[NH2+]C2)n1)C1CC1 ZINC000131257180 591578741 /nfs/dbraw/zinc/57/87/41/591578741.db2.gz DAABKLNWCCHWDR-DTWKUNHWSA-N 1 0 223.276 1.244 10 0 BDAERO CO[C@@H](c1noc([C@@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000131980774 591682785 /nfs/dbraw/zinc/68/27/85/591682785.db2.gz QLSXRCPFTIRTOC-NXEZZACHSA-N 1 0 237.303 1.634 10 0 BDAERO C[NH+](C)[C@@H]1CCCN(C(=O)N2CCCCC2)C1 ZINC000134305653 591914582 /nfs/dbraw/zinc/91/45/82/591914582.db2.gz YFJNQIYGRPUBDF-GFCCVEGCSA-N 1 0 239.363 1.618 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1COc2ccccc21 ZINC000136467914 592128502 /nfs/dbraw/zinc/12/85/02/592128502.db2.gz NUMQLDDWPULUBS-VXGBXAGGSA-N 1 0 248.326 1.610 10 0 BDAERO O[C@]12CCCC[C@@H]1C[N@H+](CCF)CC2 ZINC000220399854 592306588 /nfs/dbraw/zinc/30/65/88/592306588.db2.gz CHFBREJSANJFQN-MNOVXSKESA-N 1 0 201.285 1.583 10 0 BDAERO COc1cccc(C[NH2+]C2CC(OC)C2)n1 ZINC000221108691 592394500 /nfs/dbraw/zinc/39/45/00/592394500.db2.gz SUSPGSQXLJTOMI-UHFFFAOYSA-N 1 0 222.288 1.357 10 0 BDAERO O=C1O[C@@]2(CN1c1ccccc1)CCC[NH2+]C2 ZINC000140635442 592478456 /nfs/dbraw/zinc/47/84/56/592478456.db2.gz MZMUZQUTSGZMJI-ZDUSSCGKSA-N 1 0 232.283 1.765 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCS(=O)(=O)CC1 ZINC000300391295 592510075 /nfs/dbraw/zinc/51/00/75/592510075.db2.gz VMDFEZJYXIEFEX-KOLCDFICSA-N 1 0 231.361 1.342 10 0 BDAERO C[C@@H](C[NH3+])CNc1cncc(Cl)n1 ZINC000829320284 592707886 /nfs/dbraw/zinc/70/78/86/592707886.db2.gz NRGBRQUOTAPQKB-LURJTMIESA-N 1 0 200.673 1.137 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccnc32)C1 ZINC000299928956 634402243 /nfs/dbraw/zinc/40/22/43/634402243.db2.gz LZLLFDYFPZJYAO-XQQFMLRXSA-N 1 0 232.327 1.962 10 0 BDAERO CC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000299990848 634406917 /nfs/dbraw/zinc/40/69/17/634406917.db2.gz ASGITVQVGBGNSQ-RAIGVLPGSA-N 1 0 225.332 1.855 10 0 BDAERO Cc1ccnc(N2CCC[C@@]23CC[NH2+]C3)n1 ZINC000257712118 634477389 /nfs/dbraw/zinc/47/73/89/634477389.db2.gz OBYWAZZDWIOQBS-LBPRGKRZSA-N 1 0 218.304 1.117 10 0 BDAERO CC(C)c1cc(N2CC[C@@H](CC[NH3+])C2)ncn1 ZINC000125475817 634512521 /nfs/dbraw/zinc/51/25/21/634512521.db2.gz XQKBGXJTMODQBS-LLVKDONJSA-N 1 0 234.347 1.775 10 0 BDAERO Cc1cncc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000227433183 634542151 /nfs/dbraw/zinc/54/21/51/634542151.db2.gz SXPRFUHKCCKKLA-PWSUYJOCSA-N 1 0 233.315 1.704 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(F)cc(F)c1 ZINC000234541270 635557535 /nfs/dbraw/zinc/55/75/35/635557535.db2.gz DLFVYIHVOPHQLJ-GHMZBOCLSA-N 1 0 241.237 1.441 10 0 BDAERO COC1CC([NH2+]Cc2c(Cl)c(C)nn2C)C1 ZINC000234698154 635559321 /nfs/dbraw/zinc/55/93/21/635559321.db2.gz XLAONLOZPHCXKE-UHFFFAOYSA-N 1 0 243.738 1.649 10 0 BDAERO O[C@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000236564389 635603373 /nfs/dbraw/zinc/60/33/73/635603373.db2.gz WBDBFSPLCBSIPZ-KGLIPLIRSA-N 1 0 219.328 1.980 10 0 BDAERO Cc1nnc([C@]2([NH3+])CCC[C@@H](C)C2)n1C ZINC000042013717 631353895 /nfs/dbraw/zinc/35/38/95/631353895.db2.gz GXXNXZGQUSWVJD-KCJUWKMLSA-N 1 0 208.309 1.488 10 0 BDAERO CN1C[C@@H]([NH2+]CCc2ccccc2)CCC1=O ZINC000084062135 631434175 /nfs/dbraw/zinc/43/41/75/631434175.db2.gz BWTMQAWKDBTCPC-ZDUSSCGKSA-N 1 0 232.327 1.440 10 0 BDAERO C[NH+](C)C[C@H]1CN(C/C=C\Cl)CCO1 ZINC000255387516 631442501 /nfs/dbraw/zinc/44/25/01/631442501.db2.gz OKDQNGHQRGYQHM-XOULXFPDSA-N 1 0 218.728 1.001 10 0 BDAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000308792950 631460895 /nfs/dbraw/zinc/46/08/95/631460895.db2.gz JBKUUMSFCVAVFL-HBNTYKKESA-N 1 0 215.337 1.551 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1cn[nH]c(=O)c1Cl ZINC000087798451 631482715 /nfs/dbraw/zinc/48/27/15/631482715.db2.gz GJRAGSVZUZXZNJ-SSDOTTSWSA-N 1 0 242.710 1.153 10 0 BDAERO C[NH2+]CCc1noc([C@@H](C)c2ccccc2)n1 ZINC000234389475 631502713 /nfs/dbraw/zinc/50/27/13/631502713.db2.gz BTCYCWSYESNJMZ-JTQLQIEISA-N 1 0 231.299 1.983 10 0 BDAERO CCc1ccccc1[C@H]1C[NH2+]C[C@H]1C(=O)OC ZINC000067173389 635681810 /nfs/dbraw/zinc/68/18/10/635681810.db2.gz MBRQSGOXKYAVMC-CHWSQXEVSA-N 1 0 233.311 1.725 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC=CO1 ZINC000308826421 631673043 /nfs/dbraw/zinc/67/30/43/631673043.db2.gz AILPHFAQWAGHJA-MNOVXSKESA-N 1 0 213.321 1.676 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)Nc1nccs1 ZINC000308988779 631781598 /nfs/dbraw/zinc/78/15/98/631781598.db2.gz KMXXPARDRKVPKV-MRVPVSSYSA-N 1 0 225.317 1.614 10 0 BDAERO CCCC[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000309098765 631881903 /nfs/dbraw/zinc/88/19/03/631881903.db2.gz FVZCXUMXYZUADV-SNVBAGLBSA-N 1 0 208.309 1.291 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC000309151849 631910266 /nfs/dbraw/zinc/91/02/66/631910266.db2.gz SHEHWIONYCQWDN-MNOVXSKESA-N 1 0 231.311 1.867 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC000091390617 631956379 /nfs/dbraw/zinc/95/63/79/631956379.db2.gz AIBFOSKTQTUFKF-PWSUYJOCSA-N 1 0 246.310 1.451 10 0 BDAERO C[NH2+]CCc1noc(Cc2ccc(F)cc2)n1 ZINC000051850633 631962855 /nfs/dbraw/zinc/96/28/55/631962855.db2.gz SPYVOHKDHNBOMV-UHFFFAOYSA-N 1 0 235.262 1.561 10 0 BDAERO CC(C)[C@@H]([NH3+])c1noc(C2(C)COC2)n1 ZINC000309276278 631983123 /nfs/dbraw/zinc/98/31/23/631983123.db2.gz MFGVCWPPFBVRGP-SSDOTTSWSA-N 1 0 211.265 1.013 10 0 BDAERO CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCCC[C@H]1O ZINC000052009747 632040988 /nfs/dbraw/zinc/04/09/88/632040988.db2.gz ZPFHZMQTZPAPRD-WDEREUQCSA-N 1 0 242.363 1.184 10 0 BDAERO COc1cc(C(=O)NCC2CC([NH3+])C2)ccc1C ZINC000091526063 632053599 /nfs/dbraw/zinc/05/35/99/632053599.db2.gz JXZHHGIZMAVGRS-UHFFFAOYSA-N 1 0 248.326 1.471 10 0 BDAERO COc1ccccc1Cc1nc([C@H](C)C[NH3+])no1 ZINC000054158898 635776030 /nfs/dbraw/zinc/77/60/30/635776030.db2.gz OLZYMZOJBXWPDD-SECBINFHSA-N 1 0 247.298 1.731 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(C)(C)F ZINC000156051613 635813309 /nfs/dbraw/zinc/81/33/09/635813309.db2.gz YVZVQIYTJUBXMP-SECBINFHSA-N 1 0 216.300 1.145 10 0 BDAERO CCC(C)(C)Cc1nc(CC[NH2+]C)no1 ZINC000309515678 632434730 /nfs/dbraw/zinc/43/47/30/632434730.db2.gz RKRIOCPKOLKBOX-UHFFFAOYSA-N 1 0 211.309 1.810 10 0 BDAERO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccccc1O ZINC000189099201 632457260 /nfs/dbraw/zinc/45/72/60/632457260.db2.gz OOUAGZAOVDVIOP-JTQLQIEISA-N 1 0 234.299 1.103 10 0 BDAERO Cc1cc(C)nc(NCCC(C)(C)[NH3+])n1 ZINC000259995885 632559464 /nfs/dbraw/zinc/55/94/64/632559464.db2.gz JOOCNASHKKXDBX-UHFFFAOYSA-N 1 0 208.309 1.633 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CNC(=O)O1)C1CCCC1 ZINC000309006072 632614049 /nfs/dbraw/zinc/61/40/49/632614049.db2.gz PVWCRPNMOVVJHK-PSASIEDQSA-N 1 0 212.293 1.263 10 0 BDAERO CN(CC(=O)Nc1cccc2[nH]cnc21)C1CC1 ZINC000096436768 632735848 /nfs/dbraw/zinc/73/58/48/632735848.db2.gz BQCOAZNAHMCGCH-UHFFFAOYSA-N 1 0 244.298 1.596 10 0 BDAERO CC(C)(C)NC(=[NH2+])NCC[C@H]1CCCO1 ZINC000052043100 632782464 /nfs/dbraw/zinc/78/24/64/632782464.db2.gz ADBLIDHYSRAAFP-SECBINFHSA-N 1 0 213.325 1.468 10 0 BDAERO Cc1cnc([C@H](C)Nc2cc(C)[nH+]c(N)n2)o1 ZINC000235546882 632781666 /nfs/dbraw/zinc/78/16/66/632781666.db2.gz UTFPIPRPYLJUHF-QMMMGPOBSA-N 1 0 233.275 1.837 10 0 BDAERO C[C@H]([NH2+]Cc1cnc(Cl)cn1)[C@H]1CCCO1 ZINC000309740979 633235453 /nfs/dbraw/zinc/23/54/53/633235453.db2.gz DHHQKIBDYWNHBP-WCBMZHEXSA-N 1 0 241.722 1.787 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000306923636 635977778 /nfs/dbraw/zinc/97/77/78/635977778.db2.gz GJNQBUREBGJHCY-BDAKNGLRSA-N 1 0 214.385 1.121 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1CC1CCCC1 ZINC000307493480 635988899 /nfs/dbraw/zinc/98/88/99/635988899.db2.gz AXPPFAOWFUZBPY-QWRGUYRKSA-N 1 0 200.301 1.548 10 0 BDAERO CC(C)N1C[C@H]([NH2+][C@H](C)CCO)[C@@H](C)C1 ZINC000228282782 633922248 /nfs/dbraw/zinc/92/22/48/633922248.db2.gz PVYFHORJYUIGRK-TUAOUCFPSA-N 1 0 214.353 1.076 10 0 BDAERO COC1CC([NH2+][C@@H](C)c2cc(C)nn2C)C1 ZINC000309634254 633978779 /nfs/dbraw/zinc/97/87/79/633978779.db2.gz IWWUQYJLYKGQNK-WHXUTIOJSA-N 1 0 223.320 1.557 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000309979260 634015479 /nfs/dbraw/zinc/01/54/79/634015479.db2.gz VKGUTDKNJJNPQG-NKWVEPMBSA-N 1 0 233.233 1.963 10 0 BDAERO [NH3+]CCn1cc(-c2ccc3c(c2)CCC3)cn1 ZINC000310077748 634202896 /nfs/dbraw/zinc/20/28/96/634202896.db2.gz HFYRYMVGZKFBHY-UHFFFAOYSA-N 1 0 227.311 1.998 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccoc2)c1 ZINC000053534765 634228767 /nfs/dbraw/zinc/22/87/67/634228767.db2.gz QNWRHVJWAKPQPZ-UHFFFAOYSA-N 1 0 205.261 1.574 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1nc(C)cc(C)n1 ZINC000053706728 634326573 /nfs/dbraw/zinc/32/65/73/634326573.db2.gz YJZOTRNWWXDDMZ-LBPRGKRZSA-N 1 0 234.347 1.672 10 0 BDAERO Cc1ccc(OC[C@@H](C)N[C@H]2CC[NH2+]C2)cc1 ZINC000094088074 635181745 /nfs/dbraw/zinc/18/17/45/635181745.db2.gz BPIBZXNEOVSQDG-OLZOCXBDSA-N 1 0 234.343 1.714 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc2nccn21 ZINC000336780533 635281635 /nfs/dbraw/zinc/28/16/35/635281635.db2.gz RPEJLQCKWHLVFL-NXEZZACHSA-N 1 0 219.288 1.193 10 0 BDAERO Cc1cc(NCCCCCC[NH3+])n2ncnc2n1 ZINC000235875151 635589516 /nfs/dbraw/zinc/58/95/16/635589516.db2.gz MEJSDRCTNRDFTO-UHFFFAOYSA-N 1 0 248.334 1.364 10 0 BDAERO C[C@@H](C[NH3+])c1noc(Cc2ccccc2F)n1 ZINC000054158563 635775360 /nfs/dbraw/zinc/77/53/60/635775360.db2.gz AAAMVZFBIHEJPF-QMMMGPOBSA-N 1 0 235.262 1.862 10 0 BDAERO Cc1nn(-c2ccc(C)cc2)cc1C[NH3+] ZINC000082638983 636276289 /nfs/dbraw/zinc/27/62/89/636276289.db2.gz MHIPANRMSDHBSB-UHFFFAOYSA-N 1 0 201.273 1.948 10 0 BDAERO Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@H](C)O)cc12 ZINC000342189996 636328728 /nfs/dbraw/zinc/32/87/28/636328728.db2.gz IWDXMUSZNNTJNZ-WPRPVWTQSA-N 1 0 248.330 1.136 10 0 BDAERO CC(C)c1nn(C)cc1-c1cnn(CCC[NH3+])c1 ZINC000310946059 636715114 /nfs/dbraw/zinc/71/51/14/636715114.db2.gz XONPHUPOHYQGCT-UHFFFAOYSA-N 1 0 247.346 1.756 10 0 BDAERO CCON1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000323128635 636901497 /nfs/dbraw/zinc/90/14/97/636901497.db2.gz PODDPTBZKLWZIV-STQMWFEESA-N 1 0 242.363 1.295 10 0 BDAERO Cc1ccc(O)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000311094720 639449227 /nfs/dbraw/zinc/44/92/27/639449227.db2.gz IWOSGZFNEQFOHR-LLVKDONJSA-N 1 0 248.326 1.477 10 0 BDAERO CCCc1nc([C@H]([NH3+])C(C)(C)C)n(C)n1 ZINC000054697549 640303916 /nfs/dbraw/zinc/30/39/16/640303916.db2.gz DVLNYGFSSQRSOV-VIFPVBQESA-N 1 0 210.325 1.814 10 0 BDAERO CCc1nc([C@@]2([NH3+])CCC[C@@H](C)C2)n(C)n1 ZINC000054696868 640305260 /nfs/dbraw/zinc/30/52/60/640305260.db2.gz JRPJMWCDCIWOOF-BXKDBHETSA-N 1 0 222.336 1.742 10 0 BDAERO CC[C@@H]([NH2+]C)c1nc(C(C)(C)C)nn1C ZINC000054698822 640318828 /nfs/dbraw/zinc/31/88/28/640318828.db2.gz UJZGORMFGVXLIL-MRVPVSSYSA-N 1 0 210.325 1.783 10 0 BDAERO C[NH2+]CCc1nc(-c2cccs2)nn1C ZINC000054699889 640321579 /nfs/dbraw/zinc/32/15/79/640321579.db2.gz JDVDCQQDHAKEIZ-UHFFFAOYSA-N 1 0 222.317 1.306 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(-c2cccs2)nn1C ZINC000054699869 640322322 /nfs/dbraw/zinc/32/23/22/640322322.db2.gz GBCQQIBNPUZWLM-SSDOTTSWSA-N 1 0 222.317 1.433 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cnc[nH]1 ZINC000054764969 640405854 /nfs/dbraw/zinc/40/58/54/640405854.db2.gz VFNCPCRAMRRHEE-LLVKDONJSA-N 1 0 224.352 1.476 10 0 BDAERO CSCC[C@@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000163701325 640411947 /nfs/dbraw/zinc/41/19/47/640411947.db2.gz YEGPACNXBGQETC-PWSUYJOCSA-N 1 0 244.404 1.776 10 0 BDAERO Cc1nccc(NCc2ccc(CC[NH3+])cc2)n1 ZINC000054936880 640422960 /nfs/dbraw/zinc/42/29/60/640422960.db2.gz CIFGQTLKOKGEDY-UHFFFAOYSA-N 1 0 242.326 1.898 10 0 BDAERO C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000055086027 640433481 /nfs/dbraw/zinc/43/34/81/640433481.db2.gz FJLNNBJNDMKNNG-YFKTTZPYSA-N 1 0 240.347 1.140 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000055087281 640433761 /nfs/dbraw/zinc/43/37/61/640433761.db2.gz HCHAPZRSXNZLBO-WYUUTHIRSA-N 1 0 240.347 1.188 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](C)O)cc1 ZINC000349332676 640514603 /nfs/dbraw/zinc/51/46/03/640514603.db2.gz OGNDJJJRFAMZKE-VHSXEESVSA-N 1 0 237.299 1.332 10 0 BDAERO CC(C)(CO)[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721442613 711492766 /nfs/dbraw/zinc/49/27/66/711492766.db2.gz HPQANZCTJXIRKO-HTQZYQBOSA-N 1 0 241.253 1.457 10 0 BDAERO Cn1nc(C(C)(C)C)nc1[C@@H]([NH3+])C1CC1 ZINC000054698515 640710590 /nfs/dbraw/zinc/71/05/90/640710590.db2.gz FHHAJVOWGWRAKQ-QMMMGPOBSA-N 1 0 208.309 1.522 10 0 BDAERO CO[C@@H](c1noc(CCCCC[NH3+])n1)C1CC1 ZINC000227330017 640828025 /nfs/dbraw/zinc/82/80/25/640828025.db2.gz KODQAPCGRWUMGZ-LLVKDONJSA-N 1 0 239.319 1.839 10 0 BDAERO CO[C@H](c1noc(CCCCC[NH3+])n1)C1CC1 ZINC000227330022 640828059 /nfs/dbraw/zinc/82/80/59/640828059.db2.gz KODQAPCGRWUMGZ-NSHDSACASA-N 1 0 239.319 1.839 10 0 BDAERO C[C@@](O)(C[N@@H+]1CC[C@@H](CCO)C1)c1ccccc1 ZINC000227575127 640839566 /nfs/dbraw/zinc/83/95/66/640839566.db2.gz IOMLRRKCNDOTFW-DZGCQCFKSA-N 1 0 249.354 1.598 10 0 BDAERO [NH3+][C@@H]1CC[C@H](CNc2ncnc3c2CCC3)C1 ZINC000227647728 640842920 /nfs/dbraw/zinc/84/29/20/640842920.db2.gz MFBUAQKXPJQYNL-VHSXEESVSA-N 1 0 232.331 1.505 10 0 BDAERO C[C@@H](O)CCC[NH2+]CCc1ccccc1 ZINC000228091643 640860217 /nfs/dbraw/zinc/86/02/17/640860217.db2.gz DONLPCUHROSUOA-GFCCVEGCSA-N 1 0 207.317 1.980 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2c[nH]cn2)C1 ZINC000228298735 640868502 /nfs/dbraw/zinc/86/85/02/640868502.db2.gz WMTPGFCANMVCTF-ZYHUDNBSSA-N 1 0 222.336 1.228 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC12CCC(C)(C)CC2 ZINC000229211779 640934248 /nfs/dbraw/zinc/93/42/48/640934248.db2.gz SQTFNXHVQFZXFX-SNVBAGLBSA-N 1 0 225.332 1.965 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@@H](C)C2 ZINC000229212873 640934377 /nfs/dbraw/zinc/93/43/77/640934377.db2.gz NVNMNARZCFNKND-SCVCMEIPSA-N 1 0 211.305 1.575 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000229343570 640948009 /nfs/dbraw/zinc/94/80/09/640948009.db2.gz JLKJHKNUEZRBSC-RYUDHWBXSA-N 1 0 213.321 1.448 10 0 BDAERO CN[C@H](C)c1nc([C@@H]2CCCS2)no1 ZINC000087699816 640976809 /nfs/dbraw/zinc/97/68/09/640976809.db2.gz XHDFFIYILRPGAO-RQJHMYQMSA-N 1 0 213.306 1.918 10 0 BDAERO C[C@@H]([NH3+])Cc1nc([C@@H]2CCCCS2)no1 ZINC000087700350 640979347 /nfs/dbraw/zinc/97/93/47/640979347.db2.gz BJLORJOFQSMRFD-SFYZADRCSA-N 1 0 227.333 1.918 10 0 BDAERO Cc1ccnc(NCc2ccc(CC[NH3+])cc2)n1 ZINC000061859643 641003275 /nfs/dbraw/zinc/00/32/75/641003275.db2.gz MCGAIWGUWBKLMA-UHFFFAOYSA-N 1 0 242.326 1.898 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000062103731 641022326 /nfs/dbraw/zinc/02/23/26/641022326.db2.gz BSOFTPXBMMCEAP-GFCCVEGCSA-N 1 0 208.305 1.854 10 0 BDAERO COc1ccc(C)cc1COC1C[NH2+]C1 ZINC000062809933 641095618 /nfs/dbraw/zinc/09/56/18/641095618.db2.gz SZWUZRLAODUMIA-UHFFFAOYSA-N 1 0 207.273 1.492 10 0 BDAERO CC(C)c1nc(COC2C[NH2+]C2)cs1 ZINC000062809960 641095877 /nfs/dbraw/zinc/09/58/77/641095877.db2.gz QUVMUSSIKIGGOP-UHFFFAOYSA-N 1 0 212.318 1.755 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ncc(C)cn1 ZINC000063049364 641124750 /nfs/dbraw/zinc/12/47/50/641124750.db2.gz RRRJFUKLWHWNMD-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(O)c(F)c2)C1 ZINC000234267049 641200655 /nfs/dbraw/zinc/20/06/55/641200655.db2.gz XSHXRCTUEPJZEM-LLVKDONJSA-N 1 0 238.306 1.667 10 0 BDAERO COC[C@H](CCO)[NH2+]CCc1ccccc1 ZINC000232010456 641228804 /nfs/dbraw/zinc/22/88/04/641228804.db2.gz DOYSIUSEKAADMP-ZDUSSCGKSA-N 1 0 223.316 1.216 10 0 BDAERO COC[C@@H](O)CC[NH2+]CCc1ccccc1 ZINC000232017983 641233323 /nfs/dbraw/zinc/23/33/23/641233323.db2.gz PBKNGCPSCWRSON-ZDUSSCGKSA-N 1 0 223.316 1.216 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232128722 641245587 /nfs/dbraw/zinc/24/55/87/641245587.db2.gz ZQVBKKPQMRYUEC-NSHDSACASA-N 1 0 215.337 1.288 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@H+](CCF)CC2 ZINC000088023447 641253211 /nfs/dbraw/zinc/25/32/11/641253211.db2.gz CHFBREJSANJFQN-QWRGUYRKSA-N 1 0 201.285 1.583 10 0 BDAERO Oc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1F ZINC000232422189 641275822 /nfs/dbraw/zinc/27/58/22/641275822.db2.gz SSZMVANQFBNCGG-WDEREUQCSA-N 1 0 239.290 1.924 10 0 BDAERO C[C@@H]1CN(c2cc[nH+]cc2CO)C[C@@H](C)O1 ZINC000088110089 641314468 /nfs/dbraw/zinc/31/44/68/641314468.db2.gz JCHRFNIYQXNWAZ-NXEZZACHSA-N 1 0 222.288 1.188 10 0 BDAERO [NH3+]CCCC1(NC(=O)C2CC2)CCCCC1 ZINC000675074426 641325532 /nfs/dbraw/zinc/32/55/32/641325532.db2.gz WQNRRCUHRHHUKN-UHFFFAOYSA-N 1 0 224.348 1.954 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCC2CCC2)C1 ZINC000158297236 641628395 /nfs/dbraw/zinc/62/83/95/641628395.db2.gz IPOPSQCGDJEPIY-GHMZBOCLSA-N 1 0 210.321 1.420 10 0 BDAERO CC[C@H](C)c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000234009687 641814442 /nfs/dbraw/zinc/81/44/42/641814442.db2.gz SKMLKOTVCRIENJ-DJLDLDEBSA-N 1 0 209.293 1.906 10 0 BDAERO CC(C)(C)[NH2+]CCC(=O)NC[C@@H](O)C(C)(C)C ZINC000324635491 641883767 /nfs/dbraw/zinc/88/37/67/641883767.db2.gz VMEBIOXYVPPMCA-SNVBAGLBSA-N 1 0 244.379 1.288 10 0 BDAERO Cc1nnc(CC[C@H]2CCCC[NH2+]2)n1C ZINC000050929677 642374461 /nfs/dbraw/zinc/37/44/61/642374461.db2.gz AQQJOPSEWUDSQP-SNVBAGLBSA-N 1 0 208.309 1.198 10 0 BDAERO CCC[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000233335623 642664467 /nfs/dbraw/zinc/66/44/67/642664467.db2.gz DSKMSNBGQLJPCD-VWYCJHECSA-N 1 0 213.321 1.916 10 0 BDAERO CCOc1cncc(NCCCCCC[NH3+])n1 ZINC000233801393 642696850 /nfs/dbraw/zinc/69/68/50/642696850.db2.gz CEISUABNRFLJKA-UHFFFAOYSA-N 1 0 238.335 1.806 10 0 BDAERO CC(C)NC(=O)[C@]1([NH3+])C[C@@H]1c1ccccc1 ZINC000238156398 642788586 /nfs/dbraw/zinc/78/85/86/642788586.db2.gz NPNJJXDASPTAMP-YPMHNXCESA-N 1 0 218.300 1.396 10 0 BDAERO Cc1nonc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000069795745 642910980 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/nfs/dbraw/zinc/91/47/01/643914701.db2.gz KPKYZSGRHDNDTJ-ZJUUUORDSA-N 1 0 230.352 1.040 10 0 BDAERO Cc1ccc(N)cc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000193458476 644243415 /nfs/dbraw/zinc/24/34/15/644243415.db2.gz WPCUNQWJFJRJDZ-JTQLQIEISA-N 1 0 233.315 1.515 10 0 BDAERO CC(C)(C)N1CC2(CC[NH2+]CC2)OC1=O ZINC000084310671 644422581 /nfs/dbraw/zinc/42/25/81/644422581.db2.gz UQUUXMDHTRJMLP-UHFFFAOYSA-N 1 0 212.293 1.359 10 0 BDAERO Cc1cscc1-c1noc(C[C@@H](C)[NH3+])n1 ZINC000087287783 644487673 /nfs/dbraw/zinc/48/76/73/644487673.db2.gz QUQLISRILUIMLG-SSDOTTSWSA-N 1 0 223.301 1.996 10 0 BDAERO O[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000089168639 644536717 /nfs/dbraw/zinc/53/67/17/644536717.db2.gz OPLZUCGTPMFGIL-MELADBBJSA-N 1 0 235.327 1.471 10 0 BDAERO Cn1nccc1NC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089397062 644548867 /nfs/dbraw/zinc/54/88/67/644548867.db2.gz SYFDQTXTNMGCOV-VHSXEESVSA-N 1 0 236.319 1.124 10 0 BDAERO Cn1cc(-c2noc([C@H]3CCC[C@H]3C[NH3+])n2)cn1 ZINC000089431470 644551044 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ZINC000251908015 644829515 /nfs/dbraw/zinc/82/95/15/644829515.db2.gz WYMNHNIIJHBFIA-IRCOFANPSA-N 1 0 241.331 1.031 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)c1ccsc1 ZINC000304260147 644883848 /nfs/dbraw/zinc/88/38/48/644883848.db2.gz SWUYPWRYVNVKRV-QWRGUYRKSA-N 1 0 243.372 1.778 10 0 BDAERO C(c1noc(C[C@@H]2CC[NH2+]C2)n1)C1CCC1 ZINC000304582118 644917560 /nfs/dbraw/zinc/91/75/60/644917560.db2.gz JZDFLYRJMQWNTN-JTQLQIEISA-N 1 0 221.304 1.564 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(CC2CCC2)no1 ZINC000304566523 644917998 /nfs/dbraw/zinc/91/79/98/644917998.db2.gz HJRNOFNOLNNJLV-JTQLQIEISA-N 1 0 223.320 1.938 10 0 BDAERO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)CC(F)(F)F ZINC000122120498 645916623 /nfs/dbraw/zinc/91/66/23/645916623.db2.gz LQAQPXSUNXYXHV-RITPCOANSA-N 1 0 224.226 1.181 10 0 BDAERO Cc1nccnc1N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723887436 711543191 /nfs/dbraw/zinc/54/31/91/711543191.db2.gz UBWOHQYLIQJLIX-MWLCHTKSSA-N 1 0 220.320 1.206 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000724188352 711567560 /nfs/dbraw/zinc/56/75/60/711567560.db2.gz MAGMKCAVGREESJ-AGIUHOORSA-N 1 0 245.363 1.273 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@H]2C[C@H](C)CO2)n1 ZINC000718425046 711657355 /nfs/dbraw/zinc/65/73/55/711657355.db2.gz FBICHUNWKFPKFL-BIIVOSGPSA-N 1 0 211.265 1.229 10 0 BDAERO C[C@H]1CCC(=O)CN1CC1(O)CCCC1 ZINC000725643877 711668667 /nfs/dbraw/zinc/66/86/67/711668667.db2.gz OIBIULGMYKXQNC-JTQLQIEISA-N 1 0 211.305 1.345 10 0 BDAERO CCC1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000227427479 711729525 /nfs/dbraw/zinc/72/95/25/711729525.db2.gz RIOBVJAYQYSLQG-QWRGUYRKSA-N 1 0 224.348 1.668 10 0 BDAERO [NH3+]C[C@H]1C[C@H](Nc2cncc(Cl)n2)C1 ZINC000725654328 711759062 /nfs/dbraw/zinc/75/90/62/711759062.db2.gz NTSKZRSKGSQKLT-LJGSYFOKSA-N 1 0 212.684 1.279 10 0 BDAERO CCO[C@@H]1CCC[C@H]([NH2+]C2CC(CO)C2)C1 ZINC000721254092 711798107 /nfs/dbraw/zinc/79/81/07/711798107.db2.gz JUEQWODRTYIERJ-PYNQCMFNSA-N 1 0 227.348 1.695 10 0 BDAERO CO[C@H]1C[NH2+][C@](C)(c2nc(C3CC3)no2)C1 ZINC000702734256 712060351 /nfs/dbraw/zinc/06/03/51/712060351.db2.gz IZTNCHXURDTIDT-KCJUWKMLSA-N 1 0 223.276 1.171 10 0 BDAERO CC(C)[C@H]1CN(C(=O)C2CC([NH3+])C2)CCS1 ZINC000707266335 712168092 /nfs/dbraw/zinc/16/80/92/712168092.db2.gz STBAWEMEFPWXNP-VQXHTEKXSA-N 1 0 242.388 1.324 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CNOC2)CC(C)(C)C1 ZINC000708341780 712189219 /nfs/dbraw/zinc/18/92/19/712189219.db2.gz QXUSUJAQDOLTDX-MXWKQRLJSA-N 1 0 212.337 1.694 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[C@H]1O ZINC000708709475 712197581 /nfs/dbraw/zinc/19/75/81/712197581.db2.gz WWTVPCLOSOXSSS-YVECIDJPSA-N 1 0 227.348 1.383 10 0 BDAERO C[C@H](CN1CCC[C@@H]([NH2+]CCO)C1)C(C)(C)C ZINC000708637750 712195523 /nfs/dbraw/zinc/19/55/23/712195523.db2.gz XKULZUUKDPULBS-CHWSQXEVSA-N 1 0 242.407 1.715 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708876668 712202040 /nfs/dbraw/zinc/20/20/40/712202040.db2.gz PRHQOZUZVAXORY-VWYCJHECSA-N 1 0 227.352 1.411 10 0 BDAERO c1cc(CCN2CC[N@@H+]3CCC[C@@H]3C2)sn1 ZINC000709965501 712234953 /nfs/dbraw/zinc/23/49/53/712234953.db2.gz CEFUXSCFEVCGHA-LLVKDONJSA-N 1 0 237.372 1.466 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCc1ccns1 ZINC000709935347 712233636 /nfs/dbraw/zinc/23/36/36/712233636.db2.gz TZWMDYCXTNQKFX-SNVBAGLBSA-N 1 0 228.361 1.682 10 0 BDAERO COC[C@H](C)[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710474755 712253758 /nfs/dbraw/zinc/25/37/58/712253758.db2.gz CIWPTPHXIUXTLR-QEYWKRMJSA-N 1 0 219.275 1.902 10 0 BDAERO CC1(C)CC[C@H](CN[C@H]2CC[NH2+]C2)OC1 ZINC000711387352 712296855 /nfs/dbraw/zinc/29/68/55/712296855.db2.gz YHROGBJBGWVAHC-WDEREUQCSA-N 1 0 212.337 1.143 10 0 BDAERO CC[C@H](C)c1noc([C@]2(C)C[NH2+]CCO2)n1 ZINC000711531049 712309522 /nfs/dbraw/zinc/30/95/22/712309522.db2.gz SHQBBZGAJWQHCT-KWQFWETISA-N 1 0 225.292 1.418 10 0 BDAERO C[C@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@@H]1[NH3+] ZINC000712079492 712340424 /nfs/dbraw/zinc/34/04/24/712340424.db2.gz ATYBKIRJCYGSKI-VGDYDELISA-N 1 0 222.332 1.228 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1CCc1cccs1 ZINC000378806851 712362672 /nfs/dbraw/zinc/36/26/72/712362672.db2.gz XLMUGFJTVDYDEG-UWVGGRQHSA-N 1 0 228.336 1.662 10 0 BDAERO Cn1ncc(C[NH2+]C[C@@H](O)C(C)(C)C)c1Cl ZINC000378861015 712364208 /nfs/dbraw/zinc/36/42/08/712364208.db2.gz QCHUVCZENFQTKH-SECBINFHSA-N 1 0 245.754 1.570 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712402627 712429314 /nfs/dbraw/zinc/42/93/14/712429314.db2.gz SZIFGMZFFMOMHJ-SVRRBLITSA-N 1 0 244.136 1.681 10 0 BDAERO COCC1CC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000713945897 712474088 /nfs/dbraw/zinc/47/40/88/712474088.db2.gz OVPSKGFNSUZXOA-BFUDSRACSA-N 1 0 240.347 1.045 10 0 BDAERO CCN1CCC([NH2+]C2CC(COC)C2)CC1 ZINC000713928937 712473827 /nfs/dbraw/zinc/47/38/27/712473827.db2.gz SUOQHSBKJZKFKE-UHFFFAOYSA-N 1 0 226.364 1.485 10 0 BDAERO COCC1CC([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000713962168 712475075 /nfs/dbraw/zinc/47/50/75/712475075.db2.gz RHCWHYIAHVGGLG-YWPUVAFDSA-N 1 0 227.348 1.959 10 0 BDAERO CCCC[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000037149671 712547609 /nfs/dbraw/zinc/54/76/09/712547609.db2.gz ZPUYCUFIFDHUHW-VIFPVBQESA-N 1 0 208.309 1.675 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)c2ccns2)C1 ZINC000715993346 712551356 /nfs/dbraw/zinc/55/13/56/712551356.db2.gz JVQKCOMVYQIYAH-ZJUUUORDSA-N 1 0 225.361 1.888 10 0 BDAERO Cc1[nH]nc(-c2nc([C@@H](C)C[NH3+])no2)c1C ZINC000716693469 712570443 /nfs/dbraw/zinc/57/04/43/712570443.db2.gz OANSXWXLCYOGEE-YFKPBYRVSA-N 1 0 221.264 1.139 10 0 BDAERO C[C@@]1(C[NH2+]C2CC(C(N)=O)C2)CCCS1 ZINC000716745189 712571951 /nfs/dbraw/zinc/57/19/51/712571951.db2.gz KKTORTXACDIFSM-AMUVOQDHSA-N 1 0 228.361 1.126 10 0 BDAERO Cc1ccccc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716754619 712572254 /nfs/dbraw/zinc/57/22/54/712572254.db2.gz IFPVGDMAWHRFHC-UHFFFAOYSA-N 1 0 218.300 1.349 10 0 BDAERO Fc1ccc(NC[C@H]2C[NH2+]CCC2(F)F)nc1 ZINC000717016485 712604673 /nfs/dbraw/zinc/60/46/73/712604673.db2.gz FKSINPPEHPLYHJ-MRVPVSSYSA-N 1 0 245.248 1.877 10 0 BDAERO Cc1cnc(NC[C@H]2C[NH2+]CCC2(F)F)nc1 ZINC000717023774 712605604 /nfs/dbraw/zinc/60/56/04/712605604.db2.gz UDIIFSVGNQPGLZ-SECBINFHSA-N 1 0 242.273 1.442 10 0 BDAERO CC(C)(O)C[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717261104 712641839 /nfs/dbraw/zinc/64/18/39/712641839.db2.gz IJXGWXPESZUUAL-JTQLQIEISA-N 1 0 215.337 1.552 10 0 BDAERO Cc1coc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000718468327 712764426 /nfs/dbraw/zinc/76/44/26/712764426.db2.gz SQYFDFNWJJHRCG-IUCAKERBSA-N 1 0 208.261 1.007 10 0 BDAERO CN(C)C[C@H](O)C[NH2+][C@H]1CCCCCC1(C)C ZINC000719210059 712800109 /nfs/dbraw/zinc/80/01/09/712800109.db2.gz BKQWYWOVXXSIRL-OLZOCXBDSA-N 1 0 242.407 1.857 10 0 BDAERO C[C@H](C[NH2+]CCc1ccccc1)N(C)C ZINC000038088697 712806523 /nfs/dbraw/zinc/80/65/23/712806523.db2.gz LQBOWMQVNIMKGR-GFCCVEGCSA-N 1 0 206.333 1.769 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1ncc(Cl)s1 ZINC000719447211 712808180 /nfs/dbraw/zinc/80/81/80/712808180.db2.gz QWDXPWRTZLOSTL-ZCFIWIBFSA-N 1 0 247.751 1.540 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1(C)CC(F)(F)C1 ZINC000720457344 712844268 /nfs/dbraw/zinc/84/42/68/712844268.db2.gz FWWRZDFOSGJUTC-JGVFFNPUSA-N 1 0 232.274 1.370 10 0 BDAERO C[C@H](C(=O)N1CCCC[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000720579988 712853626 /nfs/dbraw/zinc/85/36/26/712853626.db2.gz CJYRFPKDQQXUOM-QJPTWQEYSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCO[C@@H]2C)c(C)nn1 ZINC000720601994 712857245 /nfs/dbraw/zinc/85/72/45/712857245.db2.gz UWXTVSJZWAIBIX-ZYHUDNBSSA-N 1 0 221.304 1.360 10 0 BDAERO CS[C@H](C)Cc1nc([C@@H](C)C[NH3+])no1 ZINC000380286692 712861667 /nfs/dbraw/zinc/86/16/67/712861667.db2.gz AQBXRHUXCDNRCB-NKWVEPMBSA-N 1 0 215.322 1.426 10 0 BDAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000722836585 710721954 /nfs/dbraw/zinc/72/19/54/710721954.db2.gz YWMFCJSCFRORBN-JQWIXIFHSA-N 1 0 235.331 1.692 10 0 BDAERO CCc1cc(CC)nc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000380600191 712901794 /nfs/dbraw/zinc/90/17/94/712901794.db2.gz BKEVGTJLOYKZTN-MNOVXSKESA-N 1 0 248.374 1.563 10 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C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723651407 711530685 /nfs/dbraw/zinc/53/06/85/711530685.db2.gz NGHMPYVZNWXRNL-VJTDZRGJSA-N 1 0 239.359 1.959 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncnc2c1CCC2 ZINC000723783953 711537405 /nfs/dbraw/zinc/53/74/05/711537405.db2.gz DJHIKDUGMVBSOT-ZJUUUORDSA-N 1 0 232.331 1.233 10 0 BDAERO CCc1nc(C)cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723914198 711544582 /nfs/dbraw/zinc/54/45/82/711544582.db2.gz BKWCYFPWJLKYQM-ZYHUDNBSSA-N 1 0 248.374 1.769 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000052762253 711637326 /nfs/dbraw/zinc/63/73/26/711637326.db2.gz VJWLECKLONWTHG-HUUCEWRRSA-N 1 0 249.354 1.957 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000334207338 711714184 /nfs/dbraw/zinc/71/41/84/711714184.db2.gz BYXPJBBKASXBAC-YPMHNXCESA-N 1 0 248.374 1.861 10 0 BDAERO C([C@@H]1CCCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257656254 711723581 /nfs/dbraw/zinc/72/35/81/711723581.db2.gz FKBMSEIBDIIWCL-QWHCGFSZSA-N 1 0 224.348 1.383 10 0 BDAERO COc1ccc(CCNC(=O)C2CC([NH3+])C2)cc1 ZINC000258666648 711740111 /nfs/dbraw/zinc/74/01/11/711740111.db2.gz HSCPHQGXGOBNLH-UHFFFAOYSA-N 1 0 248.326 1.091 10 0 BDAERO CC(C)[C@@](C)(C[NH3+])NC(=O)C1CC(C)C1 ZINC000309283096 711753959 /nfs/dbraw/zinc/75/39/59/711753959.db2.gz NUGLRZKUBJGZCK-RTYFJBAXSA-N 1 0 212.337 1.522 10 0 BDAERO CCc1ccccc1[C@@H]1CC[NH2+]C[C@H]1N ZINC000669384789 711790252 /nfs/dbraw/zinc/79/02/52/711790252.db2.gz GJKUXNJHBZCHMH-QWHCGFSZSA-N 1 0 204.317 1.653 10 0 BDAERO CCCc1nccnc1N[C@@H]1C[NH2+]C[C@H]1C ZINC000721908769 711814246 /nfs/dbraw/zinc/81/42/46/711814246.db2.gz AWJMDPYYPFJJFM-MWLCHTKSSA-N 1 0 220.320 1.449 10 0 BDAERO CO[C@@H](C[NH3+])c1nc([C@@H]2CC2(C)C)no1 ZINC000227303297 711832253 /nfs/dbraw/zinc/83/22/53/711832253.db2.gz UIJCITSRYSXMIN-BQBZGAKWSA-N 1 0 211.265 1.229 10 0 BDAERO C[C@@H](CC[NH2+]CCc1ccccc1)[S@](C)=O ZINC000229790016 711839042 /nfs/dbraw/zinc/83/90/42/711839042.db2.gz DGMNPRYOPXLKQO-LRDDRELGSA-N 1 0 239.384 1.976 10 0 BDAERO O=C([C@H]1C[NH2+]CCOC1)N1CCCCCCC1 ZINC000700495454 711994573 /nfs/dbraw/zinc/99/45/73/711994573.db2.gz MVKCSUPCIYTQEW-LBPRGKRZSA-N 1 0 240.347 1.015 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCOC[C@H]2C)n1 ZINC000700487428 711994785 /nfs/dbraw/zinc/99/47/85/711994785.db2.gz REWCULTXGNPHHH-SCZZXKLOSA-N 1 0 237.303 1.005 10 0 BDAERO c1ccc(-c2noc([C@@H]3C[NH2+]CCOC3)n2)cc1 ZINC000700449381 711995346 /nfs/dbraw/zinc/99/53/46/711995346.db2.gz DDNPNRXVOVAJJQ-LLVKDONJSA-N 1 0 245.282 1.440 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)/C=C\c1cccc(F)c1 ZINC000700566269 711995745 /nfs/dbraw/zinc/99/57/45/711995745.db2.gz VUQDKEVKXMVIDM-ICJJVXPOSA-N 1 0 248.301 1.787 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc(Cl)nc2)C[C@@H]1[NH3+] ZINC000700612642 712002155 /nfs/dbraw/zinc/00/21/55/712002155.db2.gz SPWMCCOXWGQXLO-APPZFPTMSA-N 1 0 239.706 1.154 10 0 BDAERO C[NH+](C)C1CC([NH2+]CCc2ccccc2)C1 ZINC000701426249 712022758 /nfs/dbraw/zinc/02/27/58/712022758.db2.gz YMOHWIBJSBSEHC-UHFFFAOYSA-N 1 0 218.344 1.911 10 0 BDAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(C(C)C)no2)C1 ZINC000702730090 712060874 /nfs/dbraw/zinc/06/08/74/712060874.db2.gz BRXBHRLAEDSBTG-KWQFWETISA-N 1 0 225.292 1.417 10 0 BDAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)n1ccnc1 ZINC000705109184 712122366 /nfs/dbraw/zinc/12/23/66/712122366.db2.gz BHVZGVQEFLHPRC-NSHDSACASA-N 1 0 236.319 1.125 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccnc(Cl)c2)C[C@@H]1[NH3+] ZINC000706052831 712139775 /nfs/dbraw/zinc/13/97/75/712139775.db2.gz JDPLOSJPBIETFD-APPZFPTMSA-N 1 0 239.706 1.154 10 0 BDAERO CN1C[C@]2(C)C[N@H+](CC3(O)CCC3)C[C@]2(C)C1 ZINC000706257400 712142859 /nfs/dbraw/zinc/14/28/59/712142859.db2.gz SPKABRCRXUVSJF-BETUJISGSA-N 1 0 238.375 1.175 10 0 BDAERO Nc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)cn1 ZINC000706829166 712156548 /nfs/dbraw/zinc/15/65/48/712156548.db2.gz SDCMZLVBPXONOR-GHMZBOCLSA-N 1 0 203.289 1.648 10 0 BDAERO CC(C)(O)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000708387748 712191978 /nfs/dbraw/zinc/19/19/78/712191978.db2.gz KBDPVEFYJGTWFU-SECBINFHSA-N 1 0 201.310 1.162 10 0 BDAERO CCC(F)(F)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708829606 712200353 /nfs/dbraw/zinc/20/03/53/712200353.db2.gz ZQZKSFSECYXLCF-YUMQZZPRSA-N 1 0 220.263 1.085 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2cccnc2)C[C@@H]1C[NH3+] ZINC000708841545 712200745 /nfs/dbraw/zinc/20/07/45/712200745.db2.gz SBNFTPQRNMALPN-JLXHFUFZSA-N 1 0 245.326 1.148 10 0 BDAERO C[C@@H]1CN(C(=O)CSC(C)(C)C)C[C@@H]1C[NH3+] ZINC000708841754 712200817 /nfs/dbraw/zinc/20/08/17/712200817.db2.gz DGMAINVVYONLQL-ZJUUUORDSA-N 1 0 244.404 1.571 10 0 BDAERO C[C@H]1CN(Cc2csc(Cl)n2)C[C@@H]1C[NH3+] ZINC000708862222 712201215 /nfs/dbraw/zinc/20/12/15/712201215.db2.gz NPZODEFQEQSEPS-YUMQZZPRSA-N 1 0 245.779 1.823 10 0 BDAERO CC(C)N1CCc2sc(C[NH3+])nc2C1 ZINC000709750261 712217765 /nfs/dbraw/zinc/21/77/65/712217765.db2.gz SWKCDXOKGJOYRP-UHFFFAOYSA-N 1 0 211.334 1.368 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cn(C)cn1 ZINC000709927942 712233312 /nfs/dbraw/zinc/23/33/12/712233312.db2.gz VZUIRHODSBCBJW-GXSJLCMTSA-N 1 0 225.336 1.478 10 0 BDAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cn(C)cn1 ZINC000709927946 712233844 /nfs/dbraw/zinc/23/38/44/712233844.db2.gz VZUIRHODSBCBJW-MWLCHTKSSA-N 1 0 225.336 1.478 10 0 BDAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709968774 712236171 /nfs/dbraw/zinc/23/61/71/712236171.db2.gz CNLZYDHFEUKUNW-QVHKTLOISA-N 1 0 248.370 1.635 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCO1 ZINC000710897717 712261829 /nfs/dbraw/zinc/26/18/29/712261829.db2.gz SJAQNKYNFHDZOV-BJDJZHNGSA-N 1 0 240.347 1.188 10 0 BDAERO OC1(C[N@@H+]2CC[C@H](c3nccs3)C2)CCC1 ZINC000710675202 712265547 /nfs/dbraw/zinc/26/55/47/712265547.db2.gz BHXXTIJOZZKNAG-JTQLQIEISA-N 1 0 238.356 1.847 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710930461 712266273 /nfs/dbraw/zinc/26/62/73/712266273.db2.gz VMZPVWQYBIJRKQ-KKOKHZNYSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711020421 712275027 /nfs/dbraw/zinc/27/50/27/712275027.db2.gz FDTWUFRRXASLFH-DDHJBXDOSA-N 1 0 240.347 1.140 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](CF)C1 ZINC000711465864 712302274 /nfs/dbraw/zinc/30/22/74/712302274.db2.gz CDWASRFDVBPPRA-VXGBXAGGSA-N 1 0 233.327 1.455 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCOC3CC3)C[C@H]2C1 ZINC000711655072 712314041 /nfs/dbraw/zinc/31/40/41/712314041.db2.gz CDQBBJKOQLXMTO-QJPTWQEYSA-N 1 0 225.332 1.258 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2nccn2C2CC2)c1 ZINC000711734658 712321099 /nfs/dbraw/zinc/32/10/99/712321099.db2.gz ZWIJGMZSTWWZCV-UHFFFAOYSA-N 1 0 245.330 1.513 10 0 BDAERO CN(Cc1nccn1C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000711818305 712332557 /nfs/dbraw/zinc/33/25/57/712332557.db2.gz ROGUSGFZARCMJI-GFCCVEGCSA-N 1 0 248.374 1.792 10 0 BDAERO [NH3+]C[C@H]1CCCCN1C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000711944290 712340041 /nfs/dbraw/zinc/34/00/41/712340041.db2.gz UYWRKAUUYKVPCV-XQQFMLRXSA-N 1 0 236.359 1.762 10 0 BDAERO CCCCCCN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378661127 712356275 /nfs/dbraw/zinc/35/62/75/712356275.db2.gz BIDUSTBICWAAAU-QWRGUYRKSA-N 1 0 202.317 1.938 10 0 BDAERO C[C@H](CC(=O)NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000379467607 712385446 /nfs/dbraw/zinc/38/54/46/712385446.db2.gz YOYRLWYLFVOXKT-ZJUUUORDSA-N 1 0 210.321 1.148 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCC[C@@H](O)C3)C[C@H]12 ZINC000712292399 712394124 /nfs/dbraw/zinc/39/41/24/712394124.db2.gz CDNAOXXYCRXBJF-XGFWRYKXSA-N 1 0 239.359 1.240 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1nc2c(cc1C#N)CCC2 ZINC000379754805 712397227 /nfs/dbraw/zinc/39/72/27/712397227.db2.gz SWYFMSFGKSTKSY-SECBINFHSA-N 1 0 230.315 1.225 10 0 BDAERO CC(C)(C[NH2+]CCc1ccccc1)OCCO ZINC000379760669 712397948 /nfs/dbraw/zinc/39/79/48/712397948.db2.gz CMQPUHPONZBMOR-UHFFFAOYSA-N 1 0 237.343 1.606 10 0 BDAERO Cc1cccc([C@H](C)[NH2+]CCn2cnnn2)c1 ZINC000712540289 712443233 /nfs/dbraw/zinc/44/32/33/712443233.db2.gz LZELDLBLHWCQTB-NSHDSACASA-N 1 0 231.303 1.332 10 0 BDAERO C[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCCC1 ZINC000713201740 712454883 /nfs/dbraw/zinc/45/48/83/712454883.db2.gz YQSXMRGWTQAEEG-WUWHUORYSA-N 1 0 236.359 1.809 10 0 BDAERO Cc1ccc(C)c(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)c1 ZINC000713782600 712472326 /nfs/dbraw/zinc/47/23/26/712472326.db2.gz OUTHVKQNBBWGSX-RYUDHWBXSA-N 1 0 248.326 1.606 10 0 BDAERO CCN(C(=O)[C@H]1CO[C@H](C[NH3+])C1)c1ccccc1 ZINC000713777681 712472566 /nfs/dbraw/zinc/47/25/66/712472566.db2.gz BFMMIVXPGHTEID-YPMHNXCESA-N 1 0 248.326 1.403 10 0 BDAERO C=Cn1cc(C[NH2+]C2CC(COC)C2)cn1 ZINC000713916973 712473013 /nfs/dbraw/zinc/47/30/13/712473013.db2.gz MDCDNEGTGUAVPU-UHFFFAOYSA-N 1 0 221.304 1.498 10 0 BDAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713930897 712473747 /nfs/dbraw/zinc/47/37/47/712473747.db2.gz SPBDMMLWVFOAJF-KKOKHZNYSA-N 1 0 240.347 1.045 10 0 BDAERO COCC1CC([NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000713953509 712474665 /nfs/dbraw/zinc/47/46/65/712474665.db2.gz QYVQPXRRQCYTTI-XVSSEFHLSA-N 1 0 238.375 1.626 10 0 BDAERO COCC1CC([NH2+][C@H]2CCC[C@H]2OC)C1 ZINC000713963283 712474971 /nfs/dbraw/zinc/47/49/71/712474971.db2.gz WTIHUDYVUQKTFV-MMVSWEMESA-N 1 0 213.321 1.569 10 0 BDAERO CC[C@H](COC)[NH2+]C1CC(COC)C1 ZINC000713985354 712476555 /nfs/dbraw/zinc/47/65/55/712476555.db2.gz NZYBURZQWUJYMI-HSOILSAZSA-N 1 0 201.310 1.426 10 0 BDAERO COCC1CC([NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000714006400 712477072 /nfs/dbraw/zinc/47/70/72/712477072.db2.gz KTPNIFUSHUDCAK-VOBJUBJWSA-N 1 0 213.321 1.426 10 0 BDAERO O=C(C[C@H]1CCCC1(F)F)N[C@H]1CC[NH2+]C1 ZINC000714022066 712477335 /nfs/dbraw/zinc/47/73/35/712477335.db2.gz OZWMEKPJLVGERS-BDAKNGLRSA-N 1 0 232.274 1.290 10 0 BDAERO CC(C)(C)Cc1noc([C@@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714061141 712477695 /nfs/dbraw/zinc/47/76/95/712477695.db2.gz UMLKFQBMPHZEKM-DTWKUNHWSA-N 1 0 239.319 1.489 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]1c1nc([C@H]2CC23CC3)no1 ZINC000714802811 712498136 /nfs/dbraw/zinc/49/81/36/712498136.db2.gz HBIBSNFIZAQXJG-BIIVOSGPSA-N 1 0 205.261 1.399 10 0 BDAERO CCC1([NH3+])CCN([C@H](C)c2ccnn2C)CC1 ZINC000714759941 712498268 /nfs/dbraw/zinc/49/82/68/712498268.db2.gz YHQHNYRPRQPYDG-LLVKDONJSA-N 1 0 236.363 1.684 10 0 BDAERO OC1(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)CCOCC1 ZINC000714773109 712498488 /nfs/dbraw/zinc/49/84/88/712498488.db2.gz BIZITMIQYIWGPE-OLZOCXBDSA-N 1 0 239.359 1.554 10 0 BDAERO Cc1ccc(OCC(=O)NCC2CC([NH3+])C2)cc1 ZINC000715073372 712506270 /nfs/dbraw/zinc/50/62/70/712506270.db2.gz MWSUDIUJALWFKF-UHFFFAOYSA-N 1 0 248.326 1.227 10 0 BDAERO Cc1cc(C(=O)NCC2CC([NH3+])C2)sc1C ZINC000715091911 712508027 /nfs/dbraw/zinc/50/80/27/712508027.db2.gz OIQZTXVTCHNICN-UHFFFAOYSA-N 1 0 238.356 1.832 10 0 BDAERO CCOc1nccnc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715125509 712510816 /nfs/dbraw/zinc/51/08/16/712510816.db2.gz MOKYACQQOSQJGB-DTORHVGOSA-N 1 0 222.292 1.025 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccc3n[nH]cc3c2)C1 ZINC000715125497 712511101 /nfs/dbraw/zinc/51/11/01/712511101.db2.gz MKCSJOYCCXLYGL-UHFFFAOYSA-N 1 0 244.298 1.030 10 0 BDAERO CCc1nc(C)cc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715145383 712511767 /nfs/dbraw/zinc/51/17/67/712511767.db2.gz DNZGLADMPYPVSQ-AOOOYVTPSA-N 1 0 220.320 1.497 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715470159 712520360 /nfs/dbraw/zinc/52/03/60/712520360.db2.gz GXPYAEFSLUHLLF-YNEHKIRRSA-N 1 0 241.375 1.941 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715470156 712520492 /nfs/dbraw/zinc/52/04/92/712520492.db2.gz GXPYAEFSLUHLLF-FRRDWIJNSA-N 1 0 241.375 1.941 10 0 BDAERO O=C(NCc1ccco1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715484241 712520664 /nfs/dbraw/zinc/52/06/64/712520664.db2.gz KVBOXHFXDWCLTI-BXUZGUMPSA-N 1 0 248.326 1.676 10 0 BDAERO CC(C)[C@@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716137763 712552226 /nfs/dbraw/zinc/55/22/26/712552226.db2.gz LMHVEWCMIISXGZ-XNWIYYODSA-N 1 0 219.350 1.196 10 0 BDAERO C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCC2(CCC2)CO1 ZINC000716592481 712564564 /nfs/dbraw/zinc/56/45/64/712564564.db2.gz FDXVQLVZPFQXMK-NEPJUHHUSA-N 1 0 224.348 1.287 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000716685324 712569776 /nfs/dbraw/zinc/56/97/76/712569776.db2.gz FHJAPUZIBJZMTO-UHFFFAOYSA-N 1 0 240.253 1.318 10 0 BDAERO C[C@H](CCc1ccccc1)[NH2+]C1CC(C(N)=O)C1 ZINC000716722286 712570903 /nfs/dbraw/zinc/57/09/03/712570903.db2.gz HNYMXULJAMKBKK-LMWSTFAQSA-N 1 0 246.354 1.861 10 0 BDAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC(C(N)=O)C2)o1 ZINC000716732468 712571581 /nfs/dbraw/zinc/57/15/81/712571581.db2.gz UIIAIEKEUWWEEN-FJUHHBQUSA-N 1 0 248.326 1.757 10 0 BDAERO CC[C@H]1CCCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716760133 712572339 /nfs/dbraw/zinc/57/23/39/712572339.db2.gz LMHSEHVMOWKMDC-XKGSQUFQSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CC([NH2+]C2CC(C(N)=O)C2)C[C@@H](C)C1 ZINC000716759043 712572366 /nfs/dbraw/zinc/57/23/66/712572366.db2.gz DTJVUXFTWAPWHE-RKVXJDFWSA-N 1 0 224.348 1.665 10 0 BDAERO C[C@H]1CC([NH2+]C2CC(C(N)=O)C2)C[C@H](C)C1 ZINC000716759044 712572518 /nfs/dbraw/zinc/57/25/18/712572518.db2.gz DTJVUXFTWAPWHE-XTQFYOIMSA-N 1 0 224.348 1.665 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000716771105 712572954 /nfs/dbraw/zinc/57/29/54/712572954.db2.gz VTQYQVUNZDGIGQ-UHFFFAOYSA-N 1 0 238.718 1.694 10 0 BDAERO CC1=C[C@H](C)C[C@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000716788535 712573690 /nfs/dbraw/zinc/57/36/90/712573690.db2.gz HFDYEVJIRPJNHW-FSDFLBQZSA-N 1 0 236.359 1.832 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1nccc2cccnc21 ZINC000716897711 712581209 /nfs/dbraw/zinc/58/12/09/712581209.db2.gz YWLVUHWJBCWIDE-RKDXNWHRSA-N 1 0 216.288 1.777 10 0 BDAERO FC1(F)CC[NH2+]C[C@H]1CNc1ncccn1 ZINC000717010020 712604389 /nfs/dbraw/zinc/60/43/89/712604389.db2.gz GNAREYWTMCZQOZ-QMMMGPOBSA-N 1 0 228.246 1.133 10 0 BDAERO Cc1nnc(NC[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000717017610 712604579 /nfs/dbraw/zinc/60/45/79/712604579.db2.gz XVMADAQDVVKALK-SSDOTTSWSA-N 1 0 248.302 1.503 10 0 BDAERO [NH3+][C@H]1CN(c2ccccn2)CC[C@H]1C(F)(F)F ZINC000717127275 712633995 /nfs/dbraw/zinc/63/39/95/712633995.db2.gz LOPAZWWIIPATOK-BDAKNGLRSA-N 1 0 245.248 1.798 10 0 BDAERO C(C[C@H]1CC[NH2+]C1)c1nc(CC2CCC2)no1 ZINC000380012152 712669982 /nfs/dbraw/zinc/66/99/82/712669982.db2.gz KZYBFUAYNWAZRK-NSHDSACASA-N 1 0 235.331 1.954 10 0 BDAERO COCC(C)(C)CCN[C@H]1CC[NH2+]C1 ZINC000718768691 712781734 /nfs/dbraw/zinc/78/17/34/712781734.db2.gz ISWWFNNZYRCNPO-JTQLQIEISA-N 1 0 200.326 1.001 10 0 BDAERO COCC(C)(C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000718942436 712789460 /nfs/dbraw/zinc/78/94/60/712789460.db2.gz MOLHNCMPUVXYDI-QWRGUYRKSA-N 1 0 242.363 1.293 10 0 BDAERO c1cnc2nccc(NC[C@H]3C[NH2+]CCO3)c2c1 ZINC000718982371 712791476 /nfs/dbraw/zinc/79/14/76/712791476.db2.gz QYVHOABWNRPMNN-SNVBAGLBSA-N 1 0 244.298 1.030 10 0 BDAERO [NH3+]C1CC(CNc2ccnc3ncccc23)C1 ZINC000718984070 712791750 /nfs/dbraw/zinc/79/17/50/712791750.db2.gz AZAMAXXTEMPKOV-UHFFFAOYSA-N 1 0 228.299 1.779 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ccnc2ncccc12 ZINC000718987486 712792088 /nfs/dbraw/zinc/79/20/88/712792088.db2.gz SUPRAJNQDVXFAV-SECBINFHSA-N 1 0 216.288 1.413 10 0 BDAERO CN(CCOCC[NH3+])c1ccnc2ncccc12 ZINC000718989086 712792288 /nfs/dbraw/zinc/79/22/88/712792288.db2.gz LKEOCXZLHAKZCM-UHFFFAOYSA-N 1 0 246.314 1.041 10 0 BDAERO CC(C)[C@H](C)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719096406 712796793 /nfs/dbraw/zinc/79/67/93/712796793.db2.gz DJFBLDORGWVPEK-WDEREUQCSA-N 1 0 213.321 1.726 10 0 BDAERO CSCC1CC[NH+](CC2(O)CCC2)CC1 ZINC000719328366 712804534 /nfs/dbraw/zinc/80/45/34/712804534.db2.gz STNUDYRLDRAIQV-UHFFFAOYSA-N 1 0 229.389 1.976 10 0 BDAERO O=c1ccc(C[NH2+]C[C@]23CCC[C@H]2OCC3)c[nH]1 ZINC000720154274 712828412 /nfs/dbraw/zinc/82/84/12/712828412.db2.gz LEAYATKDIZBJRU-TZMCWYRMSA-N 1 0 248.326 1.836 10 0 BDAERO c1cnc(N[C@H]2C[NH2+]CC3(CCOCC3)C2)nc1 ZINC000720236913 712829395 /nfs/dbraw/zinc/82/93/95/712829395.db2.gz HMFFOVDTBOUBJE-LLVKDONJSA-N 1 0 248.330 1.047 10 0 BDAERO Cc1conc1C[N@@H+]1CCC[C@H]1CCCO ZINC000720363534 712835645 /nfs/dbraw/zinc/83/56/45/712835645.db2.gz NKZUJQNDPJLVMA-NSHDSACASA-N 1 0 224.304 1.720 10 0 BDAERO Cc1cc(CN2CCC[C@H]2C[NH3+])c(C)nn1 ZINC000720577377 712853137 /nfs/dbraw/zinc/85/31/37/712853137.db2.gz IRGQCYACDXLKRG-LBPRGKRZSA-N 1 0 220.320 1.017 10 0 BDAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000720584198 712854668 /nfs/dbraw/zinc/85/46/68/712854668.db2.gz RCJBEOXCSZXPIS-QCNOEVLYSA-N 1 0 240.347 1.045 10 0 BDAERO C[NH2+]CCN(c1ncc(F)cn1)C(C)C ZINC000720824808 712867630 /nfs/dbraw/zinc/86/76/30/712867630.db2.gz IHGLROPYNDUDLZ-UHFFFAOYSA-N 1 0 212.272 1.050 10 0 BDAERO CCn1c(C)nnc1CN(CC[NH2+]C)C(C)C ZINC000720774285 712864498 /nfs/dbraw/zinc/86/44/98/712864498.db2.gz AVJFWNGQZGADEB-UHFFFAOYSA-N 1 0 239.367 1.036 10 0 BDAERO C[NH2+]CCN(c1ncncc1Cl)C(C)C ZINC000720792130 712866201 /nfs/dbraw/zinc/86/62/01/712866201.db2.gz SVGQTFDIJNNMIW-UHFFFAOYSA-N 1 0 228.727 1.564 10 0 BDAERO Cc1noc2ncnc(N3C[C@@H]([NH3+])C(C)(C)C3)c12 ZINC000720830137 712868809 /nfs/dbraw/zinc/86/88/09/712868809.db2.gz YVXQQTBIGYUELK-MRVPVSSYSA-N 1 0 247.302 1.100 10 0 BDAERO [NH3+][C@@H]1CN(c2ncccc2F)C[C@H]1C(F)(F)F ZINC000720893365 712876128 /nfs/dbraw/zinc/87/61/28/712876128.db2.gz PDLIUPRVGFHFBY-HTRCEHHLSA-N 1 0 249.211 1.547 10 0 BDAERO CC(C)(C[NH3+])Cc1nc([C@H]2CC23CC3)no1 ZINC000720919093 712878562 /nfs/dbraw/zinc/87/85/62/712878562.db2.gz OVOJNYAWMSXGDV-MRVPVSSYSA-N 1 0 221.304 1.865 10 0 BDAERO Cc1cnc(NCC[C@@H]2C[NH2+]C[C@H]2C)nc1C ZINC000721111076 712890745 /nfs/dbraw/zinc/89/07/45/712890745.db2.gz DMVACUQUNHOEBC-ZYHUDNBSSA-N 1 0 234.347 1.751 10 0 BDAERO CCC1([NH+](C)C)CC[NH+](CCCC(=O)[O-])CC1 ZINC000715207287 955111144 /nfs/dbraw/zinc/11/11/44/955111144.db2.gz GUIKMCUTGMQJOO-UHFFFAOYSA-N 1 0 242.363 1.657 10 0 BDAERO CC(C)[NH+]1CCC([NH2+]CC(C)(C)C(=O)[O-])CC1 ZINC000387304651 972116994 /nfs/dbraw/zinc/11/69/94/972116994.db2.gz ZDOKEDLZAQKWBS-UHFFFAOYSA-N 1 0 242.363 1.560 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)CC(=O)[O-])C1CC[NH+](C)CC1 ZINC000396494727 968227066 /nfs/dbraw/zinc/22/70/66/968227066.db2.gz QUSDZKXDDAURRV-VHSXEESVSA-N 1 0 228.336 1.170 10 0 BDAERO C/C(=C\C(=O)[O-])C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000705129082 977267590 /nfs/dbraw/zinc/26/75/90/977267590.db2.gz BZTOOVFQUJWDOR-VNKGSWCUSA-N 1 0 240.347 1.291 10 0 BDAERO CC[N@@H+]1CC[C@H]([NH3+])[C@]12CCCSC2 ZINC000685953399 538897746 /nfs/dbraw/zinc/89/77/46/538897746.db2.gz GYASZIBAZWSENH-VHSXEESVSA-N 1 0 200.351 1.305 10 0 BDAERO CC(C)[N@@H+]1CCC(=O)[C@]12C[C@@H](C)O[C@@H](C)C2 ZINC000685953510 538898053 /nfs/dbraw/zinc/89/80/53/538898053.db2.gz HXKAQAKHMLQKLE-PTEHBNRSSA-N 1 0 225.332 1.996 10 0 BDAERO CC[NH2+]CC[C@H](CO)[C@@H]1CCCOC1 ZINC000685963746 538910412 /nfs/dbraw/zinc/91/04/12/538910412.db2.gz WQZFYUSKBHJDDL-GHMZBOCLSA-N 1 0 201.310 1.021 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@@H](C)C[C@H]1[NH3+] ZINC000685954595 538899036 /nfs/dbraw/zinc/89/90/36/538899036.db2.gz OPONBNKGUQUCOA-OPRDCNLKSA-N 1 0 219.350 1.326 10 0 BDAERO CC(C)[C@@H]1CC[C@@H](S(=O)(=O)C(C)C)[C@@H]([NH3+])C1 ZINC000685954892 538899640 /nfs/dbraw/zinc/89/96/40/538899640.db2.gz QEXIKFTZQUAOKB-GRYCIOLGSA-N 1 0 247.404 1.962 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000685954792 538899764 /nfs/dbraw/zinc/89/97/64/538899764.db2.gz PDDMEWSUGNTJOW-OPRDCNLKSA-N 1 0 219.350 1.326 10 0 BDAERO CC(C)N1CCC(=O)[C@]12C[NH+]1CCC2CC1 ZINC000685955347 538900887 /nfs/dbraw/zinc/90/08/87/538900887.db2.gz XZBQAKIDPVZSIU-CYBMUJFWSA-N 1 0 222.332 1.134 10 0 BDAERO CCOC(=O)C(F)(F)CSCCC[NH3+] ZINC000685955612 538901182 /nfs/dbraw/zinc/90/11/82/538901182.db2.gz LBUBLLVVODYBCV-UHFFFAOYSA-N 1 0 227.276 1.267 10 0 BDAERO CCCS(=O)(=O)[C@H]1CC(C)(C)CC[C@@H]1C[NH3+] ZINC000685955435 538901354 /nfs/dbraw/zinc/90/13/54/538901354.db2.gz ZJVZFWXGACVYFT-MNOVXSKESA-N 1 0 247.404 1.965 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@@H]1C[NH3+] ZINC000685955429 538901370 /nfs/dbraw/zinc/90/13/70/538901370.db2.gz ZJVZFWXGACVYFT-GHMZBOCLSA-N 1 0 247.404 1.965 10 0 BDAERO CC(C)NCC(F)(F)COCC(F)F ZINC000685956001 538901687 /nfs/dbraw/zinc/90/16/87/538901687.db2.gz IFTVCCJZQRQCPG-UHFFFAOYSA-N 1 0 217.206 1.901 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399464382 262784236 /nfs/dbraw/zinc/78/42/36/262784236.db2.gz KRCKXTHWEBYYST-RWMBFGLXSA-N 1 0 245.363 1.009 10 0 BDAERO CNCC(F)(F)COC[C@H]1CCCO1 ZINC000685957037 538903503 /nfs/dbraw/zinc/90/35/03/538903503.db2.gz QJEMTXCPUMCFIH-MRVPVSSYSA-N 1 0 209.236 1.037 10 0 BDAERO CNCC(F)(F)CN1C[C@@H](C)C[C@H]1C ZINC000685957070 538903590 /nfs/dbraw/zinc/90/35/90/538903590.db2.gz LMHGPFDJJMTJEB-DTWKUNHWSA-N 1 0 206.280 1.571 10 0 BDAERO [NH3+]CC(F)(F)COCC(F)(F)C(F)F ZINC000685956664 538903778 /nfs/dbraw/zinc/90/37/78/538903778.db2.gz YLASRCPAQGUVOD-UHFFFAOYSA-N 1 0 225.132 1.497 10 0 BDAERO CNCC(F)(F)CN1CCCSCC1 ZINC000685957569 538905019 /nfs/dbraw/zinc/90/50/19/538905019.db2.gz AYRLTCIBLBCCMY-UHFFFAOYSA-N 1 0 224.320 1.280 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@H]1CCOC1 ZINC000685963252 538908381 /nfs/dbraw/zinc/90/83/81/538908381.db2.gz KCUUYJAQEXLXDS-TUAOUCFPSA-N 1 0 215.337 1.410 10 0 BDAERO CCC[NH2+]CC[C@H](CO)[C@@H]1CCOC1 ZINC000685963254 538908627 /nfs/dbraw/zinc/90/86/27/538908627.db2.gz KDJKMSRVQCZYAW-GHMZBOCLSA-N 1 0 201.310 1.021 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1cccc(F)c1F ZINC000685965906 538910024 /nfs/dbraw/zinc/91/00/24/538910024.db2.gz YLCMXWWJKJLFRH-LDYMZIIASA-N 1 0 212.243 1.369 10 0 BDAERO CCCCc1cnnn1C1CC[NH2+]CC1 ZINC000685952223 538896558 /nfs/dbraw/zinc/89/65/58/538896558.db2.gz AYYCQLNPTUWDAA-UHFFFAOYSA-N 1 0 208.309 1.545 10 0 BDAERO CC[NH2+][C@@H]1CC[C@H](S(C)(=O)=O)C[C@H]1C ZINC000685952717 538896628 /nfs/dbraw/zinc/89/66/28/538896628.db2.gz CNDNTJQIBXNMSX-KXUCPTDWSA-N 1 0 219.350 1.198 10 0 BDAERO CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000053485899 136210128 /nfs/dbraw/zinc/21/01/28/136210128.db2.gz CRACBFFWVLRGJV-VXGBXAGGSA-N 1 0 214.353 1.485 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000685965374 538912017 /nfs/dbraw/zinc/91/20/17/538912017.db2.gz BSCQCVYLXBUAJA-WRWORJQWSA-N 1 0 230.233 1.508 10 0 BDAERO Cc1ccc(F)c([C@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965733 538912328 /nfs/dbraw/zinc/91/23/28/538912328.db2.gz QHAPFTDTEDQCPS-PWSUYJOCSA-N 1 0 208.280 1.538 10 0 BDAERO OC[C@H](CC[NH2+]C1CCC1)C1CCOCC1 ZINC000685963341 538912546 /nfs/dbraw/zinc/91/25/46/538912546.db2.gz MFZXOYRSOVFJKB-LBPRGKRZSA-N 1 0 227.348 1.554 10 0 BDAERO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CN(C)CCO1 ZINC000161577108 538916929 /nfs/dbraw/zinc/91/69/29/538916929.db2.gz JZWOUZOCZMLPLH-AAEUAGOBSA-N 1 0 226.364 1.485 10 0 BDAERO CCC(CC)(C[NH3+])[N@H+](CCOC)[C@H](C)COC ZINC000042606624 168322536 /nfs/dbraw/zinc/32/25/36/168322536.db2.gz YBKSGOKPDISXDK-GFCCVEGCSA-N 1 0 246.395 1.487 10 0 BDAERO CO[C@@H](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000378701716 346811093 /nfs/dbraw/zinc/81/10/93/346811093.db2.gz NTPBSNYRINXOJY-YFKTTZPYSA-N 1 0 227.348 1.815 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[NH2+][C@H]2C1 ZINC000071373443 398147668 /nfs/dbraw/zinc/14/76/68/398147668.db2.gz AHUMUTMZKQKDPI-HLTSFMKQSA-N 1 0 212.293 1.262 10 0 BDAERO CCC(CC)(CO)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054309102 168328733 /nfs/dbraw/zinc/32/87/33/168328733.db2.gz ORINGOMRKXCPCH-NSHDSACASA-N 1 0 242.363 1.043 10 0 BDAERO CCC(CC)(CO)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054309103 168328821 /nfs/dbraw/zinc/32/88/21/168328821.db2.gz ORINGOMRKXCPCH-LLVKDONJSA-N 1 0 242.363 1.043 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1N ZINC000040410366 178022416 /nfs/dbraw/zinc/02/24/16/178022416.db2.gz TXTCESQRJMEGGF-LBPRGKRZSA-N 1 0 220.316 1.846 10 0 BDAERO C[NH2+]CCCc1cnn(C2CCOCC2)c1 ZINC000258258662 349501755 /nfs/dbraw/zinc/50/17/55/349501755.db2.gz OJAYFHLVBUAKNJ-UHFFFAOYSA-N 1 0 223.320 1.387 10 0 BDAERO O[C@H](c1csc(Br)c1)C1C[NH2+]C1 ZINC000306274462 398148981 /nfs/dbraw/zinc/14/89/81/398148981.db2.gz FNECMFSJRHUZHI-MRVPVSSYSA-N 1 0 248.145 1.763 10 0 BDAERO Cc1cc(N2CC[C@H]([NH+](C)C)C2)ccc1N ZINC000062965643 349502861 /nfs/dbraw/zinc/50/28/61/349502861.db2.gz BBRHHIFWASJZMD-LBPRGKRZSA-N 1 0 219.332 1.718 10 0 BDAERO [NH3+][C@@H]1CCO[C@H]1c1ccncc1Br ZINC000575583059 398152467 /nfs/dbraw/zinc/15/24/67/398152467.db2.gz ITVWXPDRCVUSCT-BDAKNGLRSA-N 1 0 243.104 1.633 10 0 BDAERO Cc1cc(C[NH2+]C(C)(C)CO)c(C)n1C ZINC000052789767 178017642 /nfs/dbraw/zinc/01/76/42/178017642.db2.gz GZRRLOQQPUKJNI-UHFFFAOYSA-N 1 0 210.321 1.502 10 0 BDAERO Cc1cc(CNC2=[NH+]CCCS2)on1 ZINC000045005785 178018393 /nfs/dbraw/zinc/01/83/93/178018393.db2.gz GHQMUEFJYSKCOR-UHFFFAOYSA-N 1 0 211.290 1.566 10 0 BDAERO Cc1cc(C[NH2+]C[C@H]2CCOC2)ccc1N ZINC000061147438 178025519 /nfs/dbraw/zinc/02/55/19/178025519.db2.gz YOEARTGCCMMVGR-GFCCVEGCSA-N 1 0 220.316 1.703 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cs1 ZINC000296751786 178033646 /nfs/dbraw/zinc/03/36/46/178033646.db2.gz KMAVARSCQYOVBV-GXSJLCMTSA-N 1 0 238.356 1.813 10 0 BDAERO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)nn1C ZINC000336672254 178037020 /nfs/dbraw/zinc/03/70/20/178037020.db2.gz AFOSKLXERHKGKZ-PWSUYJOCSA-N 1 0 223.320 1.386 10 0 BDAERO N#CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000306697935 398176006 /nfs/dbraw/zinc/17/60/06/398176006.db2.gz GPRIWJGJYBMWMX-HUUCEWRRSA-N 1 0 241.338 1.921 10 0 BDAERO CCNC(=[NH2+])N[C@H]1CCCSCC1 ZINC000575517736 398176862 /nfs/dbraw/zinc/17/68/62/398176862.db2.gz IGFVVCUPBQQZNW-QMMMGPOBSA-N 1 0 201.339 1.406 10 0 BDAERO CCc1nc(C)cc(N2CC[C@H]([NH3+])[C@H](CC)C2)n1 ZINC000385458398 398164179 /nfs/dbraw/zinc/16/41/79/398164179.db2.gz SUESKIOCODAWHY-NEPJUHHUSA-N 1 0 248.374 1.911 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCS1 ZINC000380122734 398188260 /nfs/dbraw/zinc/18/82/60/398188260.db2.gz VBXJCJZKZPOBBZ-GRYCIOLGSA-N 1 0 229.389 1.975 10 0 BDAERO COC[C@@H](C)[NH2+][C@H](C)c1cnc(C)cn1 ZINC000380204997 398191281 /nfs/dbraw/zinc/19/12/81/398191281.db2.gz WCPUMWCXLQARKP-NXEZZACHSA-N 1 0 209.293 1.471 10 0 BDAERO Cc1cc(F)ccc1[C@H]1C[C@@]1(C[NH3+])CO ZINC000070500510 178092285 /nfs/dbraw/zinc/09/22/85/178092285.db2.gz UTFMPECBEZTCCI-VXGBXAGGSA-N 1 0 209.264 1.559 10 0 BDAERO CC[C@@H]1CCC[C@]12[NH2+]CCc1nc[nH]c12 ZINC000400491606 398196522 /nfs/dbraw/zinc/19/65/22/398196522.db2.gz JPFOEJYCROBLMV-SKDRFNHKSA-N 1 0 205.305 1.961 10 0 BDAERO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nnc1C ZINC000302868452 178120336 /nfs/dbraw/zinc/12/03/36/178120336.db2.gz XAYIITACQBQVBP-TXEJJXNPSA-N 1 0 232.331 1.091 10 0 BDAERO CCn1nccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000162685068 538924110 /nfs/dbraw/zinc/92/41/10/538924110.db2.gz NYWQLZCEOBXYFV-PWSUYJOCSA-N 1 0 223.320 1.296 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCCC[C@@H]1CCO ZINC000386302337 398205190 /nfs/dbraw/zinc/20/51/90/398205190.db2.gz KNIWSODTHASWMS-OLZOCXBDSA-N 1 0 226.364 1.318 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000386301606 398205296 /nfs/dbraw/zinc/20/52/96/398205296.db2.gz KKIHTBJKOZNZEK-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO CC[C@@H]([NH2+]C[C@H]1CN(CC)CCO1)C1CC1 ZINC000162914434 538925721 /nfs/dbraw/zinc/92/57/21/538925721.db2.gz KDZMICSWSOKMLO-QWHCGFSZSA-N 1 0 226.364 1.485 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@H]1C ZINC000380738159 398207022 /nfs/dbraw/zinc/20/70/22/398207022.db2.gz KCTUAVIUBNNPHG-NOOOWODRSA-N 1 0 224.348 1.618 10 0 BDAERO CCC[C@H](C)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336753939 398209042 /nfs/dbraw/zinc/20/90/42/398209042.db2.gz HDSMOBHUPOWPSI-AXFHLTTASA-N 1 0 212.337 1.679 10 0 BDAERO Cc1cccc(CNC(=O)CC[C@H]2CCC[NH2+]2)n1 ZINC000386686054 398216170 /nfs/dbraw/zinc/21/61/70/398216170.db2.gz ZAGXTHREHLWJLY-GFCCVEGCSA-N 1 0 247.342 1.538 10 0 BDAERO CC(C)n1ccnc1CN1CCC(C)([NH3+])CC1 ZINC000649415965 398216408 /nfs/dbraw/zinc/21/64/08/398216408.db2.gz DTWOEDBDBLIXNN-UHFFFAOYSA-N 1 0 236.363 1.777 10 0 BDAERO Cc1cc2ncnn2c(NCC[NH+](C)C)c1 ZINC000035047917 178159328 /nfs/dbraw/zinc/15/93/28/178159328.db2.gz NWHSRFWZRAJINI-UHFFFAOYSA-N 1 0 219.292 1.011 10 0 BDAERO CC[C@]1([NH2+]C[C@@H]2CCCN2C)CCOC1 ZINC000386519737 398211568 /nfs/dbraw/zinc/21/15/68/398211568.db2.gz DMCXYYNGUBXGAY-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO CC(C)(C)CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000082642343 136221964 /nfs/dbraw/zinc/22/19/64/136221964.db2.gz VCIVIBXIMQYEFZ-SECBINFHSA-N 1 0 213.325 1.165 10 0 BDAERO Cc1cc(N[C@H](C)CCCC[NH3+])n2ncnc2n1 ZINC000336789716 178185530 /nfs/dbraw/zinc/18/55/30/178185530.db2.gz JTJJHEMCLJCPJL-SECBINFHSA-N 1 0 248.334 1.362 10 0 BDAERO CCC(CC)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000122767732 168349978 /nfs/dbraw/zinc/34/99/78/168349978.db2.gz BKCUOPFJEUQQRR-GFCCVEGCSA-N 1 0 226.364 1.975 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139317495 361738468 /nfs/dbraw/zinc/73/84/68/361738468.db2.gz DIFRBQGETHYRLU-QWRGUYRKSA-N 1 0 227.352 1.424 10 0 BDAERO Cc1cc(N[C@H]2CC[C@H]([NH+](C)C)C2)ncn1 ZINC000301919876 178190920 /nfs/dbraw/zinc/19/09/20/178190920.db2.gz IUBPGHABBFCBRF-QWRGUYRKSA-N 1 0 220.320 1.680 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000421381928 192325152 /nfs/dbraw/zinc/32/51/52/192325152.db2.gz XNCHKXGWWIWDRE-GXFFZTMASA-N 1 0 245.326 1.908 10 0 BDAERO Cc1cc(O)cc2sc(CC[NH3+])nc21 ZINC000031895424 178199829 /nfs/dbraw/zinc/19/98/29/178199829.db2.gz LVNHJLMSJVYYLL-UHFFFAOYSA-N 1 0 208.286 1.812 10 0 BDAERO Cc1cc(=O)[nH]c(SC[C@H]2CCC[NH2+]2)n1 ZINC000043497171 178204259 /nfs/dbraw/zinc/20/42/59/178204259.db2.gz WOYMAJDWLALTKP-MRVPVSSYSA-N 1 0 225.317 1.335 10 0 BDAERO Brc1ccc(CC2C[NH2+]C2)o1 ZINC000306641450 361753899 /nfs/dbraw/zinc/75/38/99/361753899.db2.gz MGRLUDKJLDUNRH-UHFFFAOYSA-N 1 0 216.078 1.804 10 0 BDAERO c1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)on1 ZINC000667978574 488173747 /nfs/dbraw/zinc/17/37/47/488173747.db2.gz HQDHECCACJBIAA-GXSJLCMTSA-N 1 0 208.261 1.332 10 0 BDAERO Cc1cc2ncnn2c(OCC[NH2+]C(C)C)c1 ZINC000051871848 178211349 /nfs/dbraw/zinc/21/13/49/178211349.db2.gz VKDREOPHZJHUOW-UHFFFAOYSA-N 1 0 234.303 1.415 10 0 BDAERO Cc1cc(OC[C@H]2CCCC[NH2+]2)nc(Cl)n1 ZINC000095068981 178211930 /nfs/dbraw/zinc/21/19/30/178211930.db2.gz AGIDQLLAWFBXEK-SECBINFHSA-N 1 0 241.722 1.959 10 0 BDAERO Cc1cc(OC[C@@H]2CCCC[NH2+]2)nc(C)n1 ZINC000051883265 178212232 /nfs/dbraw/zinc/21/22/32/178212232.db2.gz LOTQVSZRRITFRF-NSHDSACASA-N 1 0 221.304 1.614 10 0 BDAERO Cc1cc(O[C@@H]2CC[NH2+]C2)cnc1Cl ZINC000026007208 178213001 /nfs/dbraw/zinc/21/30/01/178213001.db2.gz LQQHYGJSIKIVRV-MRVPVSSYSA-N 1 0 212.680 1.784 10 0 BDAERO Cc1cc(SCCC[NH+](C)C)ncn1 ZINC000040171189 178218947 /nfs/dbraw/zinc/21/89/47/178218947.db2.gz ANKKZCNAZUELFZ-UHFFFAOYSA-N 1 0 211.334 1.829 10 0 BDAERO Cc1cc([C@@H](C)N2C[C@H]([NH3+])CC2=O)c(C)s1 ZINC000049511359 178220653 /nfs/dbraw/zinc/22/06/53/178220653.db2.gz OMYARISYCDFIFC-PSASIEDQSA-N 1 0 238.356 1.986 10 0 BDAERO Cc1cc([C@@H]([NH3+])CO)c(Cl)cc1N ZINC000072197887 178236202 /nfs/dbraw/zinc/23/62/02/178236202.db2.gz PVFHOHLUKXQFHH-VIFPVBQESA-N 1 0 200.669 1.223 10 0 BDAERO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336774253 398235177 /nfs/dbraw/zinc/23/51/77/398235177.db2.gz ZKANBELHOAQRRE-RSQPEXBXSA-N 1 0 235.368 1.871 10 0 BDAERO C[NH+]1CCC(Nc2ccc(N)nc2)CC1 ZINC000037267281 361801302 /nfs/dbraw/zinc/80/13/02/361801302.db2.gz IVEXFEPCBNUHGE-UHFFFAOYSA-N 1 0 206.293 1.170 10 0 BDAERO Cc1cc([C@@H]([NH3+])[C@@H](C)S(C)(=O)=O)ccc1F ZINC000075429579 178236972 /nfs/dbraw/zinc/23/69/72/178236972.db2.gz MYJDYTTVKWHRHC-KCJUWKMLSA-N 1 0 245.319 1.567 10 0 BDAERO Cc1cc([C@@H](O)C[NH2+]CCN(C)C)ccc1F ZINC000049830209 178238808 /nfs/dbraw/zinc/23/88/08/178238808.db2.gz AWBDWGGGVDKFPA-ZDUSSCGKSA-N 1 0 240.322 1.319 10 0 BDAERO Cc1cc([C@H](C)N2CC[C@H]([NH3+])C2=O)c(C)s1 ZINC000049649275 178244215 /nfs/dbraw/zinc/24/42/15/178244215.db2.gz IOPODAITHORLEQ-KWQFWETISA-N 1 0 238.356 1.986 10 0 BDAERO Cc1cc([C@H](C)N2C[C@@H]([NH3+])CC2=O)c(C)s1 ZINC000049511365 178244577 /nfs/dbraw/zinc/24/45/77/178244577.db2.gz OMYARISYCDFIFC-WPRPVWTQSA-N 1 0 238.356 1.986 10 0 BDAERO Cc1cc([C@H]2C[C@@]2(C[NH3+])CO)c(C)s1 ZINC000070500166 178268235 /nfs/dbraw/zinc/26/82/35/178268235.db2.gz IXLBXDNKZQHRAT-GHMZBOCLSA-N 1 0 211.330 1.790 10 0 BDAERO Cc1cc([C@H]2C[C@]2(C[NH3+])CO)ccc1F ZINC000070500474 178268410 /nfs/dbraw/zinc/26/84/10/178268410.db2.gz GRYJBZZLCPLQSP-PWSUYJOCSA-N 1 0 209.264 1.559 10 0 BDAERO CC1(C)C[C@@H]1C(=O)Cc1c[nH+]ccc1N ZINC000232798384 398242886 /nfs/dbraw/zinc/24/28/86/398242886.db2.gz HJSSCJREZYPPRN-SECBINFHSA-N 1 0 204.273 1.822 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)C[C@H](C)[C@@H]2[NH3+] ZINC000035755713 178286051 /nfs/dbraw/zinc/28/60/51/178286051.db2.gz RDMYCBHAQNSTPW-CABZTGNLSA-N 1 0 239.340 1.727 10 0 BDAERO Cc1cc2c(cc1C)[S@@](=O)CC[C@@H]2[NH3+] ZINC000040975002 178287117 /nfs/dbraw/zinc/28/71/17/178287117.db2.gz CMAJMYNFEVJZJH-IINYFYTJSA-N 1 0 209.314 1.815 10 0 BDAERO O=C(C[C@H]1CCCCC[NH2+]1)[C@H]1CCOC1 ZINC000229651093 538940166 /nfs/dbraw/zinc/94/01/66/538940166.db2.gz MNDVKYLLQVRXAK-WDEREUQCSA-N 1 0 211.305 1.514 10 0 BDAERO Cc1cc2scnc2cc1NC(N)=[NH2+] ZINC000000010110 178309541 /nfs/dbraw/zinc/30/95/41/178309541.db2.gz PKXRZQBQZQEVCH-UHFFFAOYSA-N 1 0 206.274 1.910 10 0 BDAERO Cc1ccc(-c2c[nH]c(C[C@@H](C)[NH3+])n2)o1 ZINC000037476843 178317556 /nfs/dbraw/zinc/31/75/56/178317556.db2.gz OQCUYEIFTXDOGF-SSDOTTSWSA-N 1 0 205.261 1.868 10 0 BDAERO Cc1ccc(-c2c[nH]c(C[C@H](C)[NH3+])n2)o1 ZINC000037476844 178317847 /nfs/dbraw/zinc/31/78/47/178317847.db2.gz OQCUYEIFTXDOGF-ZETCQYMHSA-N 1 0 205.261 1.868 10 0 BDAERO Cc1ccc(-c2cc(N3CC[C@@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460195 178321946 /nfs/dbraw/zinc/32/19/46/178321946.db2.gz UMHVPFYGUHNGMB-GFCCVEGCSA-N 1 0 242.326 1.923 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC(C)(C)C)C1 ZINC000343987159 365648897 /nfs/dbraw/zinc/64/88/97/365648897.db2.gz SCOJSMJAJVKLCB-QWRGUYRKSA-N 1 0 215.337 1.504 10 0 BDAERO Cc1ccc(-c2nc(CCC[NH3+])no2)o1 ZINC000054139240 178334105 /nfs/dbraw/zinc/33/41/05/178334105.db2.gz WIIVGHNDJWERRN-UHFFFAOYSA-N 1 0 207.233 1.529 10 0 BDAERO CC1CC(C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000381495791 398257822 /nfs/dbraw/zinc/25/78/22/398257822.db2.gz BBTFIUICEJJTIE-VQXHTEKXSA-N 1 0 210.321 1.291 10 0 BDAERO Cc1ccc(-c2nnc(CC[NH3+])o2)c(C)c1 ZINC000050283721 178340833 /nfs/dbraw/zinc/34/08/33/178340833.db2.gz VFHGZTQOPLNKSF-UHFFFAOYSA-N 1 0 217.272 1.855 10 0 BDAERO CC1CC(C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000381484296 398259165 /nfs/dbraw/zinc/25/91/65/398259165.db2.gz UPGDCRZAQDHSPZ-YIYTYNFBSA-N 1 0 210.321 1.276 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@@H](OC)C2CC2)C1 ZINC000382169601 398255806 /nfs/dbraw/zinc/25/58/06/398255806.db2.gz VZUAYYYAXUOGEL-NWDGAFQWSA-N 1 0 212.337 1.095 10 0 BDAERO CN1CCc2c[nH+]cc(Br)c21 ZINC000169519094 538948130 /nfs/dbraw/zinc/94/81/30/538948130.db2.gz MJIZGJJFNGFCIF-UHFFFAOYSA-N 1 0 213.078 1.836 10 0 BDAERO COCCC[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000400410035 538948674 /nfs/dbraw/zinc/94/86/74/538948674.db2.gz SBXMLJNYKWUKMV-NSHDSACASA-N 1 0 209.293 1.197 10 0 BDAERO CC/C=C/C[NH2+]C[C@@H](O)COCCCC ZINC000384821543 398259718 /nfs/dbraw/zinc/25/97/18/398259718.db2.gz FGUMZSGUUCBZTH-HOSRBBHYSA-N 1 0 215.337 1.720 10 0 BDAERO O=C1CCCCC(=O)C1[C@H]1CCCC[NH2+]1 ZINC000230796559 538951182 /nfs/dbraw/zinc/95/11/82/538951182.db2.gz JSUFKJWQCYGMQM-SECBINFHSA-N 1 0 209.289 1.457 10 0 BDAERO CC[N@H+](C[C@H]1CCC[C@@H](O)C1)CC(C)(C)O ZINC000381636060 398267177 /nfs/dbraw/zinc/26/71/77/398267177.db2.gz OGAIFRJBCSVJIN-NWDGAFQWSA-N 1 0 229.364 1.630 10 0 BDAERO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000378755318 346824879 /nfs/dbraw/zinc/82/48/79/346824879.db2.gz XPWNAKWZBNBLDP-SRVKXCTJSA-N 1 0 229.364 1.941 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H]2O)[C@@H]2CCO[C@@H]21 ZINC000378755037 346825126 /nfs/dbraw/zinc/82/51/26/346825126.db2.gz XLJJYRWHJFZVGH-KQSJRHEJSA-N 1 0 225.332 1.303 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1O ZINC000105569824 178396082 /nfs/dbraw/zinc/39/60/82/178396082.db2.gz LSCSLBFMDKWQBS-GFCCVEGCSA-N 1 0 248.326 1.477 10 0 BDAERO CCC(CC)N(CCOC)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042616095 168375618 /nfs/dbraw/zinc/37/56/18/168375618.db2.gz IGJLLRRLISCDTI-QWHCGFSZSA-N 1 0 244.379 1.240 10 0 BDAERO CCC(CC)NC(=O)CO[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000050211865 168377421 /nfs/dbraw/zinc/37/74/21/168377421.db2.gz FXPKVWJLVYKEQS-PWSUYJOCSA-N 1 0 242.363 1.448 10 0 BDAERO CC(=O)Nc1ccc([C@H]2CCN(CC[NH3+])C2)cc1 ZINC000616613247 349607814 /nfs/dbraw/zinc/60/78/14/349607814.db2.gz ZTZRQBRVJVMYEF-ZDUSSCGKSA-N 1 0 247.342 1.393 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cccc3ccncc32)C1 ZINC000616613063 349605584 /nfs/dbraw/zinc/60/55/84/349605584.db2.gz WNCHEKMFYCUDGI-ZDUSSCGKSA-N 1 0 241.338 1.983 10 0 BDAERO COC[C@H](C)[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000165441183 361840535 /nfs/dbraw/zinc/84/05/35/361840535.db2.gz HQEUTENZITXBIR-SDDRHHMPSA-N 1 0 215.337 1.672 10 0 BDAERO CC[C@H]([NH2+]Cc1cnnn1C)C(C)(C)C ZINC000165497269 361842443 /nfs/dbraw/zinc/84/24/43/361842443.db2.gz BKQBMJNUQFXJHD-JTQLQIEISA-N 1 0 210.325 1.729 10 0 BDAERO OCC1(c2ncccn2)CCC([NH2+]C2CC2)CC1 ZINC000145035103 342757992 /nfs/dbraw/zinc/75/79/92/342757992.db2.gz BLMCKWYRDTUKHG-UHFFFAOYSA-N 1 0 247.342 1.401 10 0 BDAERO c1cn2cc(N3CCOCC3)ccc2[nH+]1 ZINC000145671159 342762578 /nfs/dbraw/zinc/76/25/78/342762578.db2.gz MGGJPTCTXLUGDJ-UHFFFAOYSA-N 1 0 203.245 1.171 10 0 BDAERO OCC[NH2+][C@H]1CCC[C@H]1Oc1ccccc1 ZINC000309653273 342776553 /nfs/dbraw/zinc/77/65/53/342776553.db2.gz UMBLVXGMIQLKJF-QWHCGFSZSA-N 1 0 221.300 1.568 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000185219785 538969933 /nfs/dbraw/zinc/96/99/33/538969933.db2.gz IVLBPXNEBYQBCS-LLVKDONJSA-N 1 0 229.368 1.624 10 0 BDAERO CC(C)[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000185219802 538970342 /nfs/dbraw/zinc/97/03/42/538970342.db2.gz IVLBPXNEBYQBCS-NSHDSACASA-N 1 0 229.368 1.624 10 0 BDAERO C[C@H]([NH3+])[C@H](c1cccs1)n1cncn1 ZINC000043106966 342798376 /nfs/dbraw/zinc/79/83/76/342798376.db2.gz HXWRAVRDQNQKRV-IONNQARKSA-N 1 0 208.290 1.276 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2C[C@H](C)C[C@@H](C)C2)C1 ZINC000040637392 538972258 /nfs/dbraw/zinc/97/22/58/538972258.db2.gz YDIZOGRZIKEOTM-NDBYEHHHSA-N 1 0 226.364 1.341 10 0 BDAERO CC[C@H]1CN(C(=[NH2+])NC2CC2)CCS1 ZINC000157660122 342813256 /nfs/dbraw/zinc/81/32/56/342813256.db2.gz SDXIQHIYIOHCGH-VIFPVBQESA-N 1 0 213.350 1.501 10 0 BDAERO C[C@H](CCCCO)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000378680044 538973257 /nfs/dbraw/zinc/97/32/57/538973257.db2.gz UYRUHQYXNIHDCB-JHJVBQTASA-N 1 0 229.364 1.821 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000380969209 538993965 /nfs/dbraw/zinc/99/39/65/538993965.db2.gz FBHGXNBGPWVSBO-NWDGAFQWSA-N 1 0 226.364 1.929 10 0 BDAERO C[C@H](C[NH2+]CC1(C)CC1)N1CCOCC1 ZINC000380127446 538986070 /nfs/dbraw/zinc/98/60/70/538986070.db2.gz SCICKLWTDDNFJZ-LLVKDONJSA-N 1 0 212.337 1.097 10 0 BDAERO CC(C)(C)C(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000379910850 538981704 /nfs/dbraw/zinc/98/17/04/538981704.db2.gz MPVCJYPEAKSDGY-SNVBAGLBSA-N 1 0 212.337 1.620 10 0 BDAERO COC1(C[NH2+][C@@H]2CCC[C@@H](O)C2)CCCC1 ZINC000381478410 539001722 /nfs/dbraw/zinc/00/17/22/539001722.db2.gz RVNZPAHZEOLVOD-VXGBXAGGSA-N 1 0 227.348 1.839 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]CCSCc1ccccc1 ZINC000309525931 398294050 /nfs/dbraw/zinc/29/40/50/398294050.db2.gz CEKOOMALKSELSH-QWHCGFSZSA-N 1 0 237.368 1.890 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2n[nH]cc2C)C1 ZINC000381751306 539006561 /nfs/dbraw/zinc/00/65/61/539006561.db2.gz RGPXDKLKJMOLEA-ZYHUDNBSSA-N 1 0 222.336 1.148 10 0 BDAERO C[C@H](CO)C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000381430246 539000225 /nfs/dbraw/zinc/00/02/25/539000225.db2.gz BGUYZNMLSTVDIW-JOYOIKCWSA-N 1 0 243.734 1.591 10 0 BDAERO C[C@@H](c1ccccc1)[C@H]1[NH2+]CCCNC1=O ZINC000107089338 539020120 /nfs/dbraw/zinc/02/01/20/539020120.db2.gz HWBWWTDWIJHTFZ-CMPLNLGQSA-N 1 0 218.300 1.268 10 0 BDAERO CC[C@@H]1C[C@]2(CCO1)[NH2+]C[C@@H](C)S2 ZINC000226584264 342842093 /nfs/dbraw/zinc/84/20/93/342842093.db2.gz RIZWZOYSNDOTLR-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO C#CC[C@@H]([NH3+])C(=O)CCCOCc1ccccc1 ZINC000390806212 539027550 /nfs/dbraw/zinc/02/75/50/539027550.db2.gz JHHVDWWVXCGRBZ-CQSZACIVSA-N 1 0 245.322 1.903 10 0 BDAERO CSc1ccc(NC(=O)C[NH3+])cc1Cl ZINC000158213633 398297220 /nfs/dbraw/zinc/29/72/20/398297220.db2.gz NKOZNBPQUPLHNI-UHFFFAOYSA-N 1 0 230.720 1.959 10 0 BDAERO COCC[NH2+]CC1(CCOC)CCOCC1 ZINC000061674620 539015391 /nfs/dbraw/zinc/01/53/91/539015391.db2.gz MTTFRJLQZIIWMK-UHFFFAOYSA-N 1 0 231.336 1.056 10 0 BDAERO CCn1cc(CC[NH2+][C@H](C)COC)cn1 ZINC000389935981 539018906 /nfs/dbraw/zinc/01/89/06/539018906.db2.gz NAESOFFZOHPTSU-SNVBAGLBSA-N 1 0 211.309 1.070 10 0 BDAERO C[NH2+]C[C@H]1CCO[C@@H]1c1csc(C)n1 ZINC000127100210 342846279 /nfs/dbraw/zinc/84/62/79/342846279.db2.gz ONVVJNJPQFKIGU-SCZZXKLOSA-N 1 0 212.318 1.749 10 0 BDAERO N[C@@H]1CCCC[C@@H]1[N@@H+]1CCCSCC1 ZINC000042444484 362000784 /nfs/dbraw/zinc/00/07/84/362000784.db2.gz HFJLCPCIZFNSKX-MNOVXSKESA-N 1 0 214.378 1.695 10 0 BDAERO [NH3+][C@@H]1CSC[C@@H]1Cc1nccs1 ZINC000134572886 342869038 /nfs/dbraw/zinc/86/90/38/342869038.db2.gz UBUXAUKSWQXRHF-NKWVEPMBSA-N 1 0 200.332 1.376 10 0 BDAERO Cc1csc(C[C@H]2CSC[C@H]2[NH3+])n1 ZINC000134572704 342869176 /nfs/dbraw/zinc/86/91/76/342869176.db2.gz ZTIHHQWERWNOKU-JGVFFNPUSA-N 1 0 214.359 1.684 10 0 BDAERO [NH3+][C@@H]1CSC[C@H]1CC1CCOCC1 ZINC000134574226 342869423 /nfs/dbraw/zinc/86/94/23/342869423.db2.gz JJERAFAKEWAYEK-NXEZZACHSA-N 1 0 201.335 1.493 10 0 BDAERO C[NH2+][C@H]1CSC[C@H]1Cc1nccs1 ZINC000134587406 342871235 /nfs/dbraw/zinc/87/12/35/342871235.db2.gz DVAOETMFKKTACI-SFYZADRCSA-N 1 0 214.359 1.637 10 0 BDAERO Cc1nnsc1[C@H]([NH3+])Cc1cncs1 ZINC000164952561 342859590 /nfs/dbraw/zinc/85/95/90/342859590.db2.gz XAONGGAIHVAQEV-SSDOTTSWSA-N 1 0 226.330 1.546 10 0 BDAERO [NH3+][C@H](Cc1cncs1)[C@@H]1CCSC1 ZINC000164948787 342860596 /nfs/dbraw/zinc/86/05/96/342860596.db2.gz IWSQEPDUSORLPR-VXNVDRBHSA-N 1 0 214.359 1.766 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000309776775 342895474 /nfs/dbraw/zinc/89/54/74/342895474.db2.gz PYOMCMYRZPCGRK-DTWKUNHWSA-N 1 0 241.364 1.095 10 0 BDAERO C[NH2+][C@H](c1ccsc1)c1cnnn1C ZINC000128327531 346870255 /nfs/dbraw/zinc/87/02/55/346870255.db2.gz MMULKRLPLNXZTD-SECBINFHSA-N 1 0 208.290 1.185 10 0 BDAERO Cc1cccc([C@H](C)[NH2+]CCC(N)=O)c1 ZINC000037262055 398313816 /nfs/dbraw/zinc/31/38/16/398313816.db2.gz QHTQSBWXQWMOLX-JTQLQIEISA-N 1 0 206.289 1.521 10 0 BDAERO CSCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000134795979 342890397 /nfs/dbraw/zinc/89/03/97/342890397.db2.gz MEQRZMPKTGYQMT-SNVBAGLBSA-N 1 0 230.377 1.292 10 0 BDAERO COC(=O)CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000036891765 342913759 /nfs/dbraw/zinc/91/37/59/342913759.db2.gz SVWYRDAFPNIWIN-VIFPVBQESA-N 1 0 211.261 1.802 10 0 BDAERO C[C@@H]1C[NH2+][C@]2(CC[C@@H](C)OC2)SC1 ZINC000401671219 342900621 /nfs/dbraw/zinc/90/06/21/342900621.db2.gz QXNIXUWKTQFWTD-OPRDCNLKSA-N 1 0 201.335 1.854 10 0 BDAERO [NH3+][C@@H](CNc1nc(Cl)cs1)C1CC1 ZINC000165338527 342915011 /nfs/dbraw/zinc/91/50/11/342915011.db2.gz SIYNQHWKWYCVKC-LURJTMIESA-N 1 0 217.725 1.946 10 0 BDAERO Clc1csc(NC[C@H]2CC[NH2+]C2)n1 ZINC000165335974 342915723 /nfs/dbraw/zinc/91/57/23/342915723.db2.gz MKMNAMSTANCYBG-LURJTMIESA-N 1 0 217.725 1.818 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCCCC1 ZINC000134890089 342917649 /nfs/dbraw/zinc/91/76/49/342917649.db2.gz YVWGESUIRGHYBD-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1COCC1(C)C ZINC000313055525 259330132 /nfs/dbraw/zinc/33/01/32/259330132.db2.gz AAASONRBJQJKHL-GHMZBOCLSA-N 1 0 245.363 1.177 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC[C@H](C)O)C12CCC2 ZINC000381289386 398329579 /nfs/dbraw/zinc/32/95/79/398329579.db2.gz CPYVOWWSIVTQFP-NNYUYHANSA-N 1 0 227.348 1.551 10 0 BDAERO CCSCC[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000308550291 346882436 /nfs/dbraw/zinc/88/24/36/346882436.db2.gz XFLDXOBCRVUNQY-QWRGUYRKSA-N 1 0 216.394 1.669 10 0 BDAERO COc1cc(C)ccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000164136628 536666676 /nfs/dbraw/zinc/66/66/76/536666676.db2.gz HSBANGWWHMLQMK-SNVBAGLBSA-N 1 0 248.326 1.798 10 0 BDAERO CCOCCOC(=O)c1ccc(C[NH2+]C)cc1 ZINC000147448872 398344697 /nfs/dbraw/zinc/34/46/97/398344697.db2.gz UKENPINITILPKB-UHFFFAOYSA-N 1 0 237.299 1.599 10 0 BDAERO Cc1ccc(C)c(CCN(C)CC[NH3+])c1 ZINC000077299981 178470271 /nfs/dbraw/zinc/47/02/71/178470271.db2.gz KMDOFVNJBLMOQE-UHFFFAOYSA-N 1 0 206.333 1.736 10 0 BDAERO CC[NH2+][C@@H](C)c1cn(Cc2ccncc2)nn1 ZINC000383869270 342952045 /nfs/dbraw/zinc/95/20/45/342952045.db2.gz APVIIZQQGKCOJX-JTQLQIEISA-N 1 0 231.303 1.392 10 0 BDAERO [NH3+][C@@H]1Cc2cc(Br)ccc2[C@H]1O ZINC000019795421 342957880 /nfs/dbraw/zinc/95/78/80/342957880.db2.gz LHUASDLWWNPVHS-RKDXNWHRSA-N 1 0 228.089 1.366 10 0 BDAERO [NH3+][C@H]1CCc2cccc(Br)c2[C@@H]1O ZINC000019795439 342957979 /nfs/dbraw/zinc/95/79/79/342957979.db2.gz PVQXCCKLFYJJIP-WCBMZHEXSA-N 1 0 242.116 1.756 10 0 BDAERO CC[C@@H](CO)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308598707 529515612 /nfs/dbraw/zinc/51/56/12/529515612.db2.gz NNWJUWZBADHPFX-VWYCJHECSA-N 1 0 203.301 1.875 10 0 BDAERO C[C@@H]1CN(C(=O)CC2=CCCCC2)C[C@@H]1[NH3+] ZINC000235323899 343010549 /nfs/dbraw/zinc/01/05/49/343010549.db2.gz HPNZQDOTNIRWCR-PWSUYJOCSA-N 1 0 222.332 1.683 10 0 BDAERO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@H]1CO ZINC000308685449 259340129 /nfs/dbraw/zinc/34/01/29/259340129.db2.gz ZFRIYNXDJVRLNT-GJMOJQLCSA-N 1 0 211.227 1.688 10 0 BDAERO CSC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000308811418 259340630 /nfs/dbraw/zinc/34/06/30/259340630.db2.gz HHGOUIUICWRDRY-IRCOFANPSA-N 1 0 229.389 1.879 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1ccc(Br)s1 ZINC000043265239 343023872 /nfs/dbraw/zinc/02/38/72/343023872.db2.gz HVNFZFBKZWCUBR-FFWSUHOLSA-N 1 0 236.134 1.891 10 0 BDAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCCCO2)C1 ZINC000335908009 136261057 /nfs/dbraw/zinc/26/10/57/136261057.db2.gz FTLSGEJCLOHMLU-QWRGUYRKSA-N 1 0 241.335 1.206 10 0 BDAERO C[C@H]([NH3+])[C@H](N1CCOCC1)C(C)(C)C ZINC000043291323 343039997 /nfs/dbraw/zinc/03/99/97/343039997.db2.gz HRPMEFYNTSLGGH-UWVGGRQHSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@]1(C[NH3+])CCN(c2ncnc3ccccc32)C1 ZINC000235735622 343058863 /nfs/dbraw/zinc/05/88/63/343058863.db2.gz XQLCAUFJJULFAH-CQSZACIVSA-N 1 0 242.326 1.805 10 0 BDAERO COc1ccc([C@@H](O)[C@H](C)[NH3+])cc1Cl ZINC000071519474 362007006 /nfs/dbraw/zinc/00/70/06/362007006.db2.gz QRVGVTNWPNIGBJ-WKEGUHRASA-N 1 0 215.680 1.729 10 0 BDAERO Clc1csc(O[C@H]2CCC[NH2+]C2)n1 ZINC000165382409 343070594 /nfs/dbraw/zinc/07/05/94/343070594.db2.gz CYVKCCSDPNBMEK-LURJTMIESA-N 1 0 218.709 1.927 10 0 BDAERO C[C@@H]1CSC(NC[C@H]2CCSC2)=[NH+]1 ZINC000228589149 362006192 /nfs/dbraw/zinc/00/61/92/362006192.db2.gz PBRQWSUGRFYOJL-HTQZYQBOSA-N 1 0 216.375 1.820 10 0 BDAERO CNc1c(N)c[nH+]c2cc(OC)cc(OC)c21 ZINC000584881795 343082661 /nfs/dbraw/zinc/08/26/61/343082661.db2.gz BGHIIHBCYQIXJC-UHFFFAOYSA-N 1 0 233.271 1.298 10 0 BDAERO CNc1c(N)c[nH+]c2ccc(N(C)C)cc21 ZINC000584881827 343083233 /nfs/dbraw/zinc/08/32/33/343083233.db2.gz CDUOEKDFAQCULU-UHFFFAOYSA-N 1 0 216.288 1.347 10 0 BDAERO COC(=O)[C@@H](CC(C)C)N1CC[C@@H]([NH+](C)C)C1 ZINC000602890523 349794680 /nfs/dbraw/zinc/79/46/80/349794680.db2.gz NVTWSIPMQZGHMO-VXGBXAGGSA-N 1 0 242.363 1.210 10 0 BDAERO Fc1ccc2c(c1)C[C@@H](C[C@@H]1C[NH+]=CN1)C2 ZINC000013537158 343092195 /nfs/dbraw/zinc/09/21/95/343092195.db2.gz HBMJQYDGBNSZMC-TVQRCGJNSA-N 1 0 218.275 1.931 10 0 in-vivo BDAERO CC[C@@](O)(C[C@@H](O)C[NH2+]C(C)C)C1CC1 ZINC000584882954 343085438 /nfs/dbraw/zinc/08/54/38/343085438.db2.gz BKHULMAIMCSAIA-VXGBXAGGSA-N 1 0 215.337 1.287 10 0 BDAERO CON(C)C(=O)C[C@H](C[NH3+])C1CCCCCC1 ZINC000584883185 343085816 /nfs/dbraw/zinc/08/58/16/343085816.db2.gz HQUROYKUWPNUKQ-GFCCVEGCSA-N 1 0 242.363 1.942 10 0 BDAERO CC(C)[NH2+]C[C@H](O)C[C@](C)(O)C(C)C ZINC000584883520 343086629 /nfs/dbraw/zinc/08/66/29/343086629.db2.gz RNUAODFHSKYPLB-MNOVXSKESA-N 1 0 203.326 1.142 10 0 BDAERO CC[NH2+]C[C@H](O)C[C@](C)(O)[C@H](C)CC ZINC000584883526 343086732 /nfs/dbraw/zinc/08/67/32/343086732.db2.gz ROGLKGZOQWUQFH-MXWKQRLJSA-N 1 0 203.326 1.144 10 0 BDAERO CC[NH2+]C[C@H](O)C[C@](O)(CC)C(C)(C)C ZINC000584883606 343086748 /nfs/dbraw/zinc/08/67/48/343086748.db2.gz WOTHHDUTTCZYMW-ZYHUDNBSSA-N 1 0 217.353 1.534 10 0 BDAERO CC[NH2+][C@H](C)CNc1cc(OC(C)C)ncn1 ZINC000387504125 343091206 /nfs/dbraw/zinc/09/12/06/343091206.db2.gz DCQLYZOHQWBQLO-SNVBAGLBSA-N 1 0 238.335 1.674 10 0 BDAERO CC(C)[C@H]([NH3+])[C@H](O)c1ccc2c(c1)OCO2 ZINC000071524867 362007481 /nfs/dbraw/zinc/00/74/81/362007481.db2.gz GBYVUMGRUZWNFF-NWDGAFQWSA-N 1 0 223.272 1.432 10 0 BDAERO CC(=O)CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000106186045 259349230 /nfs/dbraw/zinc/34/92/30/259349230.db2.gz CYSISSNRYTVPTE-UHFFFAOYSA-N 1 0 235.331 1.574 10 0 BDAERO CSC[C@H](C)Nc1cc[nH+]c(NN)c1 ZINC000128347822 346926683 /nfs/dbraw/zinc/92/66/83/346926683.db2.gz YSMDPETVWXIVID-ZETCQYMHSA-N 1 0 212.322 1.531 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1cc(F)ccc1F ZINC000082599789 362068206 /nfs/dbraw/zinc/06/82/06/362068206.db2.gz XIYWOMLLPHBUQC-SSDOTTSWSA-N 1 0 228.242 1.189 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1[NH3+] ZINC000143235506 343122336 /nfs/dbraw/zinc/12/23/36/343122336.db2.gz JFIOQONBMVOTPB-RKDXNWHRSA-N 1 0 228.336 1.837 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]CC(C)(C)O ZINC000049555770 343111634 /nfs/dbraw/zinc/11/16/34/343111634.db2.gz FKZNREDMIWSGHT-LLVKDONJSA-N 1 0 216.369 1.323 10 0 BDAERO Oc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000165162262 343138349 /nfs/dbraw/zinc/13/83/49/343138349.db2.gz YCIVAWHIAKUWTH-KGLIPLIRSA-N 1 0 235.327 1.828 10 0 BDAERO C[C@@H](NC(=O)C1([NH3+])CCOCC1)C(C)(C)C ZINC000133644315 343185598 /nfs/dbraw/zinc/18/55/98/343185598.db2.gz AQUYBEXNCOOGSC-SECBINFHSA-N 1 0 228.336 1.045 10 0 BDAERO C[NH+](C)CCOc1ncc(Cl)cc1N ZINC000148330377 343196063 /nfs/dbraw/zinc/19/60/63/343196063.db2.gz WHBCNQJINLDAQV-UHFFFAOYSA-N 1 0 215.684 1.258 10 0 BDAERO Cc1ccc(C)c([C@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000049670697 178502062 /nfs/dbraw/zinc/50/20/62/178502062.db2.gz OXFWTAPOJRXXDJ-LBPRGKRZSA-N 1 0 220.316 1.828 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1cccc2cccnc21 ZINC000159349653 343202025 /nfs/dbraw/zinc/20/20/25/343202025.db2.gz RFQQXXHJVDMFOD-SNVBAGLBSA-N 1 0 243.310 1.459 10 0 BDAERO CC(C)[C@](C)(CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000336767280 136276169 /nfs/dbraw/zinc/27/61/69/136276169.db2.gz SVHHBEPKXAFVEG-PWSUYJOCSA-N 1 0 217.353 1.390 10 0 BDAERO c1ccc2c(c1)CC[NH2+][C@@H]2CN1CCC1 ZINC000238006974 343237513 /nfs/dbraw/zinc/23/75/13/343237513.db2.gz CNMVMIJHXHCKIP-CYBMUJFWSA-N 1 0 202.301 1.579 10 0 BDAERO CCCOC[C@@H]1CC[C@@H](COCCC)[NH2+]1 ZINC000238242320 343252570 /nfs/dbraw/zinc/25/25/70/343252570.db2.gz KJMYVEFEODHYPX-RYUDHWBXSA-N 1 0 215.337 1.960 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000051769743 343260003 /nfs/dbraw/zinc/26/00/03/343260003.db2.gz WRVZONIKEIKXJX-VXGBXAGGSA-N 1 0 223.320 1.166 10 0 BDAERO O=c1[nH]c2cccc([C@H]3CCC[NH2+]C3)c2[nH]1 ZINC000034249523 343267613 /nfs/dbraw/zinc/26/76/13/343267613.db2.gz CXMHBSVCSVUFHU-QMMMGPOBSA-N 1 0 217.272 1.323 10 0 BDAERO COCc1ccccc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000335617017 136296486 /nfs/dbraw/zinc/29/64/86/136296486.db2.gz LLFRWVSYJUAZRK-GXFFZTMASA-N 1 0 248.326 1.252 10 0 BDAERO NC(=[NH2+])Nc1ccccc1OC(F)F ZINC000052091891 343300029 /nfs/dbraw/zinc/30/00/29/343300029.db2.gz CGCAPZLEFKXYCP-UHFFFAOYSA-N 1 0 201.176 1.593 10 0 BDAERO [NH3+]C[C@@H]1COc2ccc3ccccc3c2O1 ZINC000166022779 343301196 /nfs/dbraw/zinc/30/11/96/343301196.db2.gz MGJHPSQRWKRMNN-SNVBAGLBSA-N 1 0 215.252 1.938 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621371403 343308610 /nfs/dbraw/zinc/30/86/10/343308610.db2.gz CJWCAHKIMMNULP-SRVKXCTJSA-N 1 0 215.337 1.098 10 0 BDAERO C[NH2+][C@H](C)c1cn(Cc2nccn2C(C)C)nn1 ZINC000641050575 362164109 /nfs/dbraw/zinc/16/41/09/362164109.db2.gz AUYRPWCAYYZWFN-SNVBAGLBSA-N 1 0 248.334 1.384 10 0 BDAERO [NH3+][C@@H](CO)c1cc2c(c(Cl)c1)OCO2 ZINC000038124709 343371564 /nfs/dbraw/zinc/37/15/64/343371564.db2.gz NCLRKBNYRWOCDW-ZETCQYMHSA-N 1 0 215.636 1.061 10 0 BDAERO CCc1cc(C2=CCC[N@H+](C)C2)n(C)n1 ZINC000038293262 343373798 /nfs/dbraw/zinc/37/37/98/343373798.db2.gz YFHFJBHCZLSWON-UHFFFAOYSA-N 1 0 205.305 1.701 10 0 BDAERO Cc1ccccc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000335676099 136318603 /nfs/dbraw/zinc/31/86/03/136318603.db2.gz BCAWUSVEJJKSDS-AAEUAGOBSA-N 1 0 232.327 1.752 10 0 BDAERO CC(C)([NH3+])c1cn(CC2CC(C)(C)C2)nn1 ZINC000641069919 362181261 /nfs/dbraw/zinc/18/12/61/362181261.db2.gz UTWRAMZUSCOJSZ-UHFFFAOYSA-N 1 0 222.336 1.908 10 0 BDAERO CCC1C(=O)c2cc3c(cc2[N+]1=O)OCO3 ZINC000039098193 343382406 /nfs/dbraw/zinc/38/24/06/343382406.db2.gz GRHJUTIEMZAMEO-UHFFFAOYSA-N 1 0 219.196 1.604 10 0 BDAERO OC1(C[NH2+][C@@H]2CCSC2)CCSCC1 ZINC000151565522 362186257 /nfs/dbraw/zinc/18/62/57/362186257.db2.gz NKYKVBUXPMKHEH-SECBINFHSA-N 1 0 233.402 1.340 10 0 BDAERO C[C@@H]1C[C@H](C)[N@H+](CCC2CS(=O)(=O)C2)C1 ZINC000335687867 136323926 /nfs/dbraw/zinc/32/39/26/136323926.db2.gz VHLOCTWGFQFAIY-ZJUUUORDSA-N 1 0 231.361 1.151 10 0 BDAERO [NH3+][C@H]1c2cc(F)cc(F)c2CCC[C@@H]1O ZINC000039941552 343393660 /nfs/dbraw/zinc/39/36/60/343393660.db2.gz PJUJEWWDBGHFJX-QWRGUYRKSA-N 1 0 213.227 1.662 10 0 BDAERO c1nnc2ccc(C3CC[NH2+]CC3)cn12 ZINC000202114784 343395634 /nfs/dbraw/zinc/39/56/34/343395634.db2.gz PNNGIGYFTSXPEX-UHFFFAOYSA-N 1 0 202.261 1.196 10 0 BDAERO CNC(=[NH2+])N[C@H]1CCC[C@@H](SC)C1 ZINC000234348433 343425707 /nfs/dbraw/zinc/42/57/07/343425707.db2.gz ARTFSULOLVSOGB-JGVFFNPUSA-N 1 0 201.339 1.404 10 0 BDAERO C(CN1CCSCC1)[C@H]1CCC[NH2+]1 ZINC000042171930 343430310 /nfs/dbraw/zinc/43/03/10/343430310.db2.gz LQNSVTPQPRGKNO-SNVBAGLBSA-N 1 0 200.351 1.177 10 0 BDAERO Cc1nc2cccnc2n1[C@H]1CCC[NH2+]C1 ZINC000258858388 136374291 /nfs/dbraw/zinc/37/42/91/136374291.db2.gz SSIQDAJABAVNJE-JTQLQIEISA-N 1 0 216.288 1.664 10 0 BDAERO COC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1 ZINC000043623341 343479045 /nfs/dbraw/zinc/47/90/45/343479045.db2.gz YKJWAZDMTBCJJK-QMMMGPOBSA-N 1 0 209.245 1.086 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000336698729 346946028 /nfs/dbraw/zinc/94/60/28/346946028.db2.gz ORGFORNBCUBIEY-GRYCIOLGSA-N 1 0 228.405 1.812 10 0 BDAERO COCC[NH2+]Cc1snc(OC)c1Cl ZINC000616573631 343512016 /nfs/dbraw/zinc/51/20/16/343512016.db2.gz IHLLLGOWXYQKIF-UHFFFAOYSA-N 1 0 236.724 1.541 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2cncnc2)CC1 ZINC000616595564 343519304 /nfs/dbraw/zinc/51/93/04/343519304.db2.gz WQZGIELPIWOLNR-NSHDSACASA-N 1 0 207.277 1.260 10 0 BDAERO OCC[N@@H+]1CCCCC[C@H]1c1ccon1 ZINC000616624661 343524969 /nfs/dbraw/zinc/52/49/69/343524969.db2.gz FUXISJPKJYRPRJ-NSHDSACASA-N 1 0 210.277 1.584 10 0 BDAERO CN(C(=O)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000214503555 343536606 /nfs/dbraw/zinc/53/66/06/343536606.db2.gz MTLYWWGJXIBBRL-SNVBAGLBSA-N 1 0 212.337 1.633 10 0 BDAERO O=C(C[C@@H]1[NH2+]CCc2ccsc21)NC1CC1 ZINC000712515356 537787082 /nfs/dbraw/zinc/78/70/82/537787082.db2.gz KWDAXESPJONDNW-JTQLQIEISA-N 1 0 236.340 1.604 10 0 BDAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCOC[C@@H]1O ZINC000624237435 343583268 /nfs/dbraw/zinc/58/32/68/343583268.db2.gz XUMNKERXJUKYMW-VOAKCMCISA-N 1 0 241.375 1.941 10 0 BDAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000624237999 343583537 /nfs/dbraw/zinc/58/35/37/343583537.db2.gz ILTGANVXUONIFR-RQJABVFESA-N 1 0 241.375 1.941 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000167378495 343593800 /nfs/dbraw/zinc/59/38/00/343593800.db2.gz UMHRGUFZICCTQW-SECBINFHSA-N 1 0 219.350 1.294 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000624236102 343581312 /nfs/dbraw/zinc/58/13/12/343581312.db2.gz WGZZNMOAGSWOKW-NWDGAFQWSA-N 1 0 213.321 1.449 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOC ZINC000086194163 343614661 /nfs/dbraw/zinc/61/46/61/343614661.db2.gz NIBUFOAYJZKPOC-VXGBXAGGSA-N 1 0 212.337 1.191 10 0 BDAERO CCc1nn(C)cc1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400526893 529768983 /nfs/dbraw/zinc/76/89/83/529768983.db2.gz QIVZOQYESRLYHQ-UWVGGRQHSA-N 1 0 222.336 1.392 10 0 BDAERO CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000308548171 259366626 /nfs/dbraw/zinc/36/66/26/259366626.db2.gz QZUXQTBIUTYAMB-GMTAPVOTSA-N 1 0 201.310 1.305 10 0 BDAERO CCSCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000053616358 346949652 /nfs/dbraw/zinc/94/96/52/346949652.db2.gz QEYORSAREXZKMG-VHSXEESVSA-N 1 0 203.351 1.897 10 0 BDAERO CC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178294472 346951403 /nfs/dbraw/zinc/95/14/03/346951403.db2.gz UAWRLEGHAPFLPF-CHWSQXEVSA-N 1 0 237.347 1.427 10 0 BDAERO Cc1ccc2c(c1)[C@H]([NH3+])[C@H](C)S2(=O)=O ZINC000043636381 343633772 /nfs/dbraw/zinc/63/37/72/343633772.db2.gz RTNAGBLYCSGMLL-OIBJUYFYSA-N 1 0 211.286 1.171 10 0 BDAERO Nc1nc(N)c(-c2ccc(Cl)cc2)c(C[NH3+])n1 ZINC000148704481 343655713 /nfs/dbraw/zinc/65/57/13/343655713.db2.gz XLDXTROHOWXTIJ-UHFFFAOYSA-N 1 0 249.705 1.420 10 0 BDAERO CC[C@H]([NH3+])CNc1ccccc1S(C)(=O)=O ZINC000082579324 133502780 /nfs/dbraw/zinc/50/27/80/133502780.db2.gz VKLYIIBDKNSOCC-VIFPVBQESA-N 1 0 242.344 1.239 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339509062 343700614 /nfs/dbraw/zinc/70/06/14/343700614.db2.gz LNTNOENADQAWGN-GFCCVEGCSA-N 1 0 229.364 1.942 10 0 BDAERO C[C@@H]1COC[C@@H]([C@@H]2CCC(C)(C)C2=O)[NH2+]1 ZINC000124439787 537805543 /nfs/dbraw/zinc/80/55/43/537805543.db2.gz DIXCJYTWOCOUHX-UTLUCORTSA-N 1 0 211.305 1.369 10 0 BDAERO COc1ccc([C@H]([NH3+])CF)c(OC)c1OC ZINC000309559515 343745418 /nfs/dbraw/zinc/74/54/18/343745418.db2.gz PTBKPEVRTZAQNV-MRVPVSSYSA-N 1 0 229.251 1.682 10 0 BDAERO C[C@@H]([NH3+])c1ccc(Cn2cccn2)cc1 ZINC000059834960 343713685 /nfs/dbraw/zinc/71/36/85/343713685.db2.gz XLQVCBUHOOEPMV-SNVBAGLBSA-N 1 0 201.273 1.951 10 0 BDAERO CCOC[C@H]1CN(CC[NH3+])CC12CCC2 ZINC000409427871 343802154 /nfs/dbraw/zinc/80/21/54/343802154.db2.gz FQYLTCLHHJVNPR-LLVKDONJSA-N 1 0 212.337 1.084 10 0 BDAERO CSCC[C@H]([NH3+])c1nc2cccnc2[nH]1 ZINC000044264032 343780909 /nfs/dbraw/zinc/78/09/09/343780909.db2.gz ICYUXUMKEJGFSV-ZETCQYMHSA-N 1 0 222.317 1.711 10 0 BDAERO Cc1nc(N2Cc3ccccc3C2)cc(N)[nH+]1 ZINC000132576481 343788058 /nfs/dbraw/zinc/78/80/58/343788058.db2.gz LPKQZCJOOCOKTC-UHFFFAOYSA-N 1 0 226.283 1.887 10 0 BDAERO O=C(C1CC[NH2+]CC1)N1CCC(C(F)F)CC1 ZINC000307885821 343790154 /nfs/dbraw/zinc/79/01/54/343790154.db2.gz KLCAELNQGXPTGO-UHFFFAOYSA-N 1 0 246.301 1.490 10 0 BDAERO [NH3+]CCCn1cc(-c2ccncc2)cn1 ZINC000309066689 343790684 /nfs/dbraw/zinc/79/06/84/343790684.db2.gz ZYUGCIQUWPHASY-UHFFFAOYSA-N 1 0 202.261 1.294 10 0 BDAERO FC(F)c1cnn(C2CC[NH2+]CC2)c1 ZINC000221504565 343792924 /nfs/dbraw/zinc/79/29/24/343792924.db2.gz GQGFIARJLNXZLN-UHFFFAOYSA-N 1 0 201.220 1.745 10 0 BDAERO [NH3+][C@H]1CCCN(c2cc(-c3ccco3)[nH]n2)C1 ZINC000229645438 343793528 /nfs/dbraw/zinc/79/35/28/343793528.db2.gz FEAOILAFENWLOX-VIFPVBQESA-N 1 0 232.287 1.597 10 0 BDAERO CCC[N@@H+]1CCCC[C@H]1Cn1cc(CO)nn1 ZINC000409426828 343798882 /nfs/dbraw/zinc/79/88/82/343798882.db2.gz SFUWMBPEQWKATO-LBPRGKRZSA-N 1 0 238.335 1.035 10 0 BDAERO CCC[N@@H+]1CCC[C@H](Cn2cc(C=O)nn2)C1 ZINC000409426764 343798955 /nfs/dbraw/zinc/79/89/55/343798955.db2.gz SANJNYGCDZOXQP-NSHDSACASA-N 1 0 236.319 1.213 10 0 BDAERO OCCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000405218512 343812158 /nfs/dbraw/zinc/81/21/58/343812158.db2.gz AHJAQXRADWMOGY-NSHDSACASA-N 1 0 215.362 1.586 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2ccc(Cl)nn2)C1 ZINC000062983242 349869062 /nfs/dbraw/zinc/86/90/62/349869062.db2.gz KCWBRYGCTUXMST-MRVPVSSYSA-N 1 0 226.711 1.270 10 0 BDAERO COC[C@]12CN(C(=O)CC[NH3+])C[C@H]1CCCC2 ZINC000409426309 343822077 /nfs/dbraw/zinc/82/20/77/343822077.db2.gz BXWUHPZJHMBTFT-YPMHNXCESA-N 1 0 240.347 1.000 10 0 BDAERO COC(=O)c1ccc2[nH]c(C3C[NH2+]C3)nc2c1 ZINC000409426300 343822095 /nfs/dbraw/zinc/82/20/95/343822095.db2.gz PPMSOBOBQLQDDR-UHFFFAOYSA-N 1 0 231.255 1.036 10 0 BDAERO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H](C(F)F)C1 ZINC000409426391 343822346 /nfs/dbraw/zinc/82/23/46/343822346.db2.gz HYABIZFLWHGTCJ-BDAKNGLRSA-N 1 0 232.274 1.100 10 0 BDAERO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H](C(F)F)C1 ZINC000409426397 343822364 /nfs/dbraw/zinc/82/23/64/343822364.db2.gz HYABIZFLWHGTCJ-RKDXNWHRSA-N 1 0 232.274 1.100 10 0 BDAERO CCOC[C@]1(C(F)(F)F)CCN(C(N)=[NH2+])C1 ZINC000409426360 343822558 /nfs/dbraw/zinc/82/25/58/343822558.db2.gz CCGQCFPCSKFFKX-QMMMGPOBSA-N 1 0 239.241 1.171 10 0 BDAERO O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@@H](C(F)F)C1 ZINC000409431869 343823160 /nfs/dbraw/zinc/82/31/60/343823160.db2.gz UBAVPIVIKCDDBA-ZJUUUORDSA-N 1 0 246.301 1.632 10 0 BDAERO CCCCCCNc1cc(OCC[NH3+])ncn1 ZINC000409431514 343823747 /nfs/dbraw/zinc/82/37/47/343823747.db2.gz VMKPPZXRFWALGI-UHFFFAOYSA-N 1 0 238.335 1.806 10 0 BDAERO COC[C@H]1CN(c2ncccc2N)C[C@H]1C ZINC000409432541 343826921 /nfs/dbraw/zinc/82/69/21/343826921.db2.gz WBBHWJNJZDKDGN-NXEZZACHSA-N 1 0 221.304 1.383 10 0 BDAERO [NH3+]CCOc1cc(NC2CCCCC2)ncn1 ZINC000409429271 343805254 /nfs/dbraw/zinc/80/52/54/343805254.db2.gz JKWWNYOAFHZQAU-UHFFFAOYSA-N 1 0 236.319 1.559 10 0 BDAERO [NH3+]Cc1nnn2c1CO[C@@H](c1ccsc1)C2 ZINC000409429758 343806560 /nfs/dbraw/zinc/80/65/60/343806560.db2.gz SOGXGXKMLYMUDV-SNVBAGLBSA-N 1 0 236.300 1.070 10 0 BDAERO [NH3+]CCC(=O)N1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409429868 343806731 /nfs/dbraw/zinc/80/67/31/343806731.db2.gz POAFNOWZZMOFOU-DTWKUNHWSA-N 1 0 232.274 1.229 10 0 BDAERO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H](C(F)F)C1 ZINC000409430729 343809317 /nfs/dbraw/zinc/80/93/17/343809317.db2.gz RDMDTMNRHFFRDH-ZJUUUORDSA-N 1 0 246.301 1.490 10 0 BDAERO COc1cccc([C@@H]2C[C@H](CO)C[N@@H+]2C)c1 ZINC000409440619 343853036 /nfs/dbraw/zinc/85/30/36/343853036.db2.gz LRKOVRPDELWYFR-GWCFXTLKSA-N 1 0 221.300 1.680 10 0 BDAERO CC(F)(F)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000409433055 343828580 /nfs/dbraw/zinc/82/85/80/343828580.db2.gz XDEZEWVSZQQFHI-JTQLQIEISA-N 1 0 246.301 1.632 10 0 BDAERO CC1(C)CN(c2ncccc2N)C[C@@H]1CO ZINC000409436343 343838479 /nfs/dbraw/zinc/83/84/79/343838479.db2.gz ZKNXVQBJGHGMJI-SECBINFHSA-N 1 0 221.304 1.119 10 0 BDAERO CCOC[C@@H]1C[N@H+](CCO)CC12CCC2 ZINC000409436323 343838794 /nfs/dbraw/zinc/83/87/94/343838794.db2.gz ZGKHKIWNDARULX-NSHDSACASA-N 1 0 213.321 1.117 10 0 BDAERO COc1cccc(Cc2cc(C[NH3+])ncn2)c1 ZINC000409436618 343839535 /nfs/dbraw/zinc/83/95/35/343839535.db2.gz NPNSHYIJHGBSJE-UHFFFAOYSA-N 1 0 229.283 1.535 10 0 BDAERO Cc1nn2ccn(CC(C)C)c2c1C(N)=[NH2+] ZINC000409438738 343845233 /nfs/dbraw/zinc/84/52/33/343845233.db2.gz OCTCMWQAGJGEFQ-UHFFFAOYSA-N 1 0 219.292 1.384 10 0 BDAERO CCc1[nH]nc(C(F)(F)F)c1CC[NH3+] ZINC000409439024 343846052 /nfs/dbraw/zinc/84/60/52/343846052.db2.gz NRXKJOXTIIPKBB-UHFFFAOYSA-N 1 0 207.199 1.492 10 0 BDAERO CCn1nc([C@H]2CCCC[NH2+]2)c2c1CCOC2 ZINC000409439672 343847908 /nfs/dbraw/zinc/84/79/08/343847908.db2.gz QDSXJCKCXKJFIF-LLVKDONJSA-N 1 0 235.331 1.790 10 0 BDAERO C[NH2+]Cc1c(C)[nH]nc1-c1ccccn1 ZINC000409437947 343849300 /nfs/dbraw/zinc/84/93/00/343849300.db2.gz BESGDJCLYMDYQL-UHFFFAOYSA-N 1 0 202.261 1.500 10 0 BDAERO [NH3+]Cc1cn(CCF)nc1C(F)(F)F ZINC000409440146 343850950 /nfs/dbraw/zinc/85/09/50/343850950.db2.gz SDWBCGBNOYDWJS-UHFFFAOYSA-N 1 0 211.162 1.330 10 0 BDAERO Nc1cc(C2CC2)nn1[C@@H]1CCC[NH2+]C1 ZINC000409440411 343851701 /nfs/dbraw/zinc/85/17/01/343851701.db2.gz SXCJTZQUZKWPOS-SECBINFHSA-N 1 0 206.293 1.267 10 0 BDAERO [NH3+]CC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000127163998 343883576 /nfs/dbraw/zinc/88/35/76/343883576.db2.gz CBDQGABHBVXVCG-NKWVEPMBSA-N 1 0 209.211 1.883 10 0 BDAERO c1cn(C[C@H]2CCC[NH2+]2)nc1-c1ccccn1 ZINC000409442415 343858481 /nfs/dbraw/zinc/85/84/81/343858481.db2.gz ZRUKOAMPIYNKMK-LLVKDONJSA-N 1 0 228.299 1.697 10 0 BDAERO CC(C)c1[nH]nc(-c2cnccn2)c1CC[NH3+] ZINC000409441379 343858994 /nfs/dbraw/zinc/85/89/94/343858994.db2.gz RNZHZKVOXIJLOF-UHFFFAOYSA-N 1 0 231.303 1.491 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCOC1CCOCC1 ZINC000625457228 343859610 /nfs/dbraw/zinc/85/96/10/343859610.db2.gz JSRCQYPFLQVYCM-WCQYABFASA-N 1 0 243.347 1.027 10 0 BDAERO c1ccc2c(c1)OCC[C@]1(CC[NH2+]C1)CO2 ZINC000409443810 343862961 /nfs/dbraw/zinc/86/29/61/343862961.db2.gz UTSWVICTXSSVHA-ZDUSSCGKSA-N 1 0 219.284 1.828 10 0 BDAERO CCn1nc(-c2ccncc2)cc1C[NH2+]C ZINC000409442844 343864320 /nfs/dbraw/zinc/86/43/20/343864320.db2.gz BXYOTLCXJURWQT-UHFFFAOYSA-N 1 0 216.288 1.684 10 0 BDAERO [NH3+]Cc1cc(-c2cnccn2)nn1C(F)F ZINC000409443503 343867811 /nfs/dbraw/zinc/86/78/11/343867811.db2.gz ODQZIVVRKYLZKI-UHFFFAOYSA-N 1 0 225.202 1.194 10 0 BDAERO C[C@H](C[NH3+])[C@H](O)C1CCC(F)(F)CC1 ZINC000127171401 343886258 /nfs/dbraw/zinc/88/62/58/343886258.db2.gz UEUHUSOYOIVSCQ-APPZFPTMSA-N 1 0 207.264 1.768 10 0 BDAERO COc1ccc([C@H](C)N2CC[NH2+]CC2)cc1F ZINC000022128672 343907706 /nfs/dbraw/zinc/90/77/06/343907706.db2.gz XPFDHFSAMYWDDD-JTQLQIEISA-N 1 0 238.306 1.801 10 0 BDAERO [NH3+]CC[C@@H]1CCCCN1C(=O)C(F)(F)F ZINC000069720894 343942557 /nfs/dbraw/zinc/94/25/57/343942557.db2.gz ZMLQUUDVPQQUIK-ZETCQYMHSA-N 1 0 224.226 1.279 10 0 BDAERO [NH3+]CCC1CCN(c2nncs2)CC1 ZINC000069967642 343945040 /nfs/dbraw/zinc/94/50/40/343945040.db2.gz WRDVIEXOVMYJCQ-UHFFFAOYSA-N 1 0 212.322 1.103 10 0 BDAERO CC[C@H](C)C[NH2+][C@@H]1CCCn2ncnc21 ZINC000093080474 343962796 /nfs/dbraw/zinc/96/27/96/343962796.db2.gz UPQLHRFIKJKIPX-VHSXEESVSA-N 1 0 208.309 1.749 10 0 BDAERO COC(=O)C[C@H]1CCC2(CC[NH2+]CC2)OC1 ZINC000393802350 343963524 /nfs/dbraw/zinc/96/35/24/343963524.db2.gz SKDQEKZNBRLGCR-SNVBAGLBSA-N 1 0 227.304 1.098 10 0 BDAERO CC(C)[C@H](CN)[N@@H+]1CCSC(C)(C)C1 ZINC000135211945 343967380 /nfs/dbraw/zinc/96/73/80/343967380.db2.gz UDKWOGVLRVXXFP-JTQLQIEISA-N 1 0 216.394 1.797 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H](N2CCSCC2)C1 ZINC000401956748 344082910 /nfs/dbraw/zinc/08/29/10/344082910.db2.gz PBRGPUOWIPQJKO-ZJUUUORDSA-N 1 0 200.351 1.033 10 0 BDAERO OCC1(C[NH+]2CCSCC2)CCCC1 ZINC000051292533 347027216 /nfs/dbraw/zinc/02/72/16/347027216.db2.gz KGAAMRGSEPVPNZ-UHFFFAOYSA-N 1 0 215.362 1.588 10 0 BDAERO O=c1[nH]n(-c2ccccc2)cc1C1CC[NH2+]CC1 ZINC000145343405 344101563 /nfs/dbraw/zinc/10/15/63/344101563.db2.gz HQHLWNQCVLGARV-UHFFFAOYSA-N 1 0 243.310 1.633 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)CC(C)C ZINC000616568396 344163299 /nfs/dbraw/zinc/16/32/99/344163299.db2.gz BEZKALFDFAIXPG-QWRGUYRKSA-N 1 0 212.337 1.537 10 0 BDAERO CN(CC1CC1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634744457 344165337 /nfs/dbraw/zinc/16/53/37/344165337.db2.gz YUTVWKUTKZPGMD-AAEUAGOBSA-N 1 0 222.332 1.245 10 0 BDAERO CC(C)C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CC1 ZINC000616569246 344169618 /nfs/dbraw/zinc/16/96/18/344169618.db2.gz HPDVFNIRWOJWLH-NEPJUHHUSA-N 1 0 224.348 1.537 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1COC ZINC000683995492 488254020 /nfs/dbraw/zinc/25/40/20/488254020.db2.gz SUSTVXQDWPQIGU-CHWSQXEVSA-N 1 0 245.363 1.275 10 0 BDAERO CC[C@@H]1CCN(C(=O)C2(C)CC2)C[C@H]1[NH3+] ZINC000616571020 344177409 /nfs/dbraw/zinc/17/74/09/344177409.db2.gz OZGTVZVYWHZIQQ-NXEZZACHSA-N 1 0 210.321 1.372 10 0 BDAERO CC[C@H]1CCN(C(=O)C2(C)CC2)C[C@H]1[NH3+] ZINC000616571024 344177625 /nfs/dbraw/zinc/17/76/25/344177625.db2.gz OZGTVZVYWHZIQQ-VHSXEESVSA-N 1 0 210.321 1.372 10 0 BDAERO CCC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000616571906 344181269 /nfs/dbraw/zinc/18/12/69/344181269.db2.gz OKKAMQJFZGHDNT-RNFRBKRXSA-N 1 0 224.226 1.135 10 0 BDAERO C=CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000616572619 344184676 /nfs/dbraw/zinc/18/46/76/344184676.db2.gz WYHSJZFHRQDMSK-STQMWFEESA-N 1 0 248.301 1.655 10 0 BDAERO CO[C@@H]1CCC[C@@]2(C1)[NH2+][C@@H](C)CS2 ZINC000234763786 344247423 /nfs/dbraw/zinc/24/74/23/344247423.db2.gz HKCDGGXSMLHCEX-IVZWLZJFSA-N 1 0 201.335 1.997 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CS(C)(=O)=O ZINC000132288036 344297601 /nfs/dbraw/zinc/29/76/01/344297601.db2.gz KHKGOIGGKOZYPN-IVZWLZJFSA-N 1 0 219.350 1.198 10 0 BDAERO O=C1CCCN1CCC[NH2+]Cc1ccsc1 ZINC000040744349 344280153 /nfs/dbraw/zinc/28/01/53/344280153.db2.gz CLPRXYIEWNWZJJ-UHFFFAOYSA-N 1 0 238.356 1.850 10 0 BDAERO CCCCNC1=CC(=O)c2ncccc2C1=[NH2+] ZINC000027652672 344283299 /nfs/dbraw/zinc/28/32/99/344283299.db2.gz LVHLRTUNXZGYAZ-UHFFFAOYSA-N 1 0 229.283 1.919 10 0 BDAERO O=C(NCc1ccco1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770353 344284521 /nfs/dbraw/zinc/28/45/21/344284521.db2.gz IPOAAUFFBNUSFI-GWCFXTLKSA-N 1 0 234.299 1.286 10 0 BDAERO CC(C)c1cc(N2C[C@@H]([NH3+])C[C@@H]2C)ncn1 ZINC000384987210 344286270 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/nfs/dbraw/zinc/94/06/44/345940644.db2.gz CPVBPVBUMHGAHB-MRVPVSSYSA-N 1 0 206.293 1.604 10 0 BDAERO CNc1cc(NC[C@H]2CCCO2)nc(C)[nH+]1 ZINC000087808363 345942429 /nfs/dbraw/zinc/94/24/29/345942429.db2.gz VKNNAIFNOSHQQB-SECBINFHSA-N 1 0 222.292 1.418 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@H](CCl)C2)C1 ZINC000095088880 346024146 /nfs/dbraw/zinc/02/41/46/346024146.db2.gz BCMKBJRODAOIDH-JBLDHEPKSA-N 1 0 244.766 1.591 10 0 BDAERO Cc1cccc([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000071518818 537932600 /nfs/dbraw/zinc/93/26/00/537932600.db2.gz WIVRHJAOSJVWGN-LBPRGKRZSA-N 1 0 213.284 1.953 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[C@H](CS)C2)C1 ZINC000095088892 346024174 /nfs/dbraw/zinc/02/41/74/346024174.db2.gz VLJYMRXGXDSNOY-JBLDHEPKSA-N 1 0 242.388 1.282 10 0 BDAERO Cc1ccc2c(cnn2CCC(N)=[NH2+])c1 ZINC000073635905 178967316 /nfs/dbraw/zinc/96/73/16/178967316.db2.gz AFLJVZVHKSNOBT-UHFFFAOYSA-N 1 0 202.261 1.671 10 0 BDAERO Cc1cc(C)nc(Cn2cc[nH+]c2N)c1 ZINC000723663078 537936596 /nfs/dbraw/zinc/93/65/96/537936596.db2.gz LBPLVEMHIWIIRM-UHFFFAOYSA-N 1 0 202.261 1.525 10 0 BDAERO C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@H](CO)C1 ZINC000095089075 346024861 /nfs/dbraw/zinc/02/48/61/346024861.db2.gz ZYVAJPXYQVUHSA-QWRGUYRKSA-N 1 0 208.305 1.780 10 0 BDAERO Cc1ccccc1NC(=NC#N)N1CC[NH2+]CC1 ZINC000149386545 346107130 /nfs/dbraw/zinc/10/71/30/346107130.db2.gz POFQZWHVXXLCHY-UHFFFAOYSA-N 1 0 243.314 1.149 10 0 BDAERO CC1(C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000685946788 537941255 /nfs/dbraw/zinc/94/12/55/537941255.db2.gz NIBDCMSLKHOXSR-SKDRFNHKSA-N 1 0 208.305 1.126 10 0 BDAERO Cc1ccc2oc(N[C@H](C)C[NH3+])nc2c1 ZINC000107197184 178989011 /nfs/dbraw/zinc/98/90/11/178989011.db2.gz LOGYGTGERCNTME-MRVPVSSYSA-N 1 0 205.261 1.895 10 0 BDAERO c1ccc(COC[C@@H]2C[NH2+]CCO2)cc1 ZINC000034120682 346203137 /nfs/dbraw/zinc/20/31/37/346203137.db2.gz LMONFJPVVMPUTF-LBPRGKRZSA-N 1 0 207.273 1.192 10 0 BDAERO Cc1cccc(-n2ccnc2CC[NH3+])n1 ZINC000052304619 179001523 /nfs/dbraw/zinc/00/15/23/179001523.db2.gz GVWKLQPATJQJRS-UHFFFAOYSA-N 1 0 202.261 1.077 10 0 BDAERO [NH3+]C1CC(O)(c2scnc2Br)C1 ZINC000236175095 346205056 /nfs/dbraw/zinc/20/50/56/346205056.db2.gz WRHNRRWLCQMBPV-UHFFFAOYSA-N 1 0 249.133 1.214 10 0 BDAERO C[N@H+](CC1(O)CCCC1)[C@@H]1CCCC1=O ZINC000167181750 346208301 /nfs/dbraw/zinc/20/83/01/346208301.db2.gz TYPXAPGSFFAQRR-SNVBAGLBSA-N 1 0 211.305 1.345 10 0 BDAERO [NH3+]CCOc1ncc(Br)cc1F ZINC000236229145 346212689 /nfs/dbraw/zinc/21/26/89/346212689.db2.gz OLONKEUALXBRDS-UHFFFAOYSA-N 1 0 235.056 1.321 10 0 BDAERO Cc1c(N)c[nH+]c(NN(C)C)c1Br ZINC000167034072 346184741 /nfs/dbraw/zinc/18/47/41/346184741.db2.gz JGKRRDNPIWSWCN-UHFFFAOYSA-N 1 0 245.124 1.623 10 0 BDAERO Cn1nnc(Br)c1[C@@H]1CC[C@@H]1C[NH3+] ZINC000236124811 346193874 /nfs/dbraw/zinc/19/38/74/346193874.db2.gz AOANQVWLXWDLPS-PHDIDXHHSA-N 1 0 245.124 1.030 10 0 BDAERO O=[S@](c1ccccc1)C1CC[NH2+]CC1 ZINC000034103809 346194520 /nfs/dbraw/zinc/19/45/20/346194520.db2.gz MDRDWCJWPQFHTK-AWEZNQCLSA-N 1 0 209.314 1.546 10 0 BDAERO Cc1cccc(C(=O)CN2CC[NH2+]CC2)c1C ZINC000082546687 179004008 /nfs/dbraw/zinc/00/40/08/179004008.db2.gz PQXHFPIOLRQOOC-UHFFFAOYSA-N 1 0 232.327 1.391 10 0 BDAERO COc1cc(N2CC[NH2+]CC2)ccc1C(C)=O ZINC000167449975 346248453 /nfs/dbraw/zinc/24/84/53/346248453.db2.gz IRNWRRRXBUNGOV-UHFFFAOYSA-N 1 0 234.299 1.307 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616613524 349947277 /nfs/dbraw/zinc/94/72/77/349947277.db2.gz LDYVZTKYXVJIRI-ZDUSSCGKSA-N 1 0 232.327 1.983 10 0 BDAERO Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000038048687 179024675 /nfs/dbraw/zinc/02/46/75/179024675.db2.gz VVHRBHPRRCJDCR-MNOVXSKESA-N 1 0 233.315 1.390 10 0 BDAERO C[C@H](C[NH3+])[C@H](O)c1cncc(Cl)c1 ZINC000669376982 537963661 /nfs/dbraw/zinc/96/36/61/537963661.db2.gz CUKDNAKLKFYBSW-MUWHJKNJSA-N 1 0 200.669 1.363 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1nc(C2CC2)ns1 ZINC000307400162 229562816 /nfs/dbraw/zinc/56/28/16/229562816.db2.gz ZFMWSCYHSZYGOB-WDSKDSINSA-N 1 0 212.322 1.563 10 0 BDAERO Cc1nc2c(cnn2C(C)C)c(NN)[nH+]1 ZINC000669377530 537965088 /nfs/dbraw/zinc/96/50/88/537965088.db2.gz SIOBPKZPSPIIPP-UHFFFAOYSA-N 1 0 206.253 1.001 10 0 BDAERO Cc1nc2c(cnn2C(C)(C)C)c(NN)[nH+]1 ZINC000669377654 537965459 /nfs/dbraw/zinc/96/54/59/537965459.db2.gz WANXLOSKYDJGFS-UHFFFAOYSA-N 1 0 220.280 1.175 10 0 BDAERO CC(C)[C@@H](C)C(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669378231 537965507 /nfs/dbraw/zinc/96/55/07/537965507.db2.gz AGENHVIPMVZCLL-KCJUWKMLSA-N 1 0 236.306 1.767 10 0 BDAERO Cc1nc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)[nH]c1C ZINC000628279773 346290567 /nfs/dbraw/zinc/29/05/67/346290567.db2.gz YONDPUBERPTBOF-JOYOIKCWSA-N 1 0 236.363 1.408 10 0 BDAERO Cc1cccc(C)c1OCCOCC[NH3+] ZINC000020221427 179045885 /nfs/dbraw/zinc/04/58/85/179045885.db2.gz JNQLZAUIOSACIE-UHFFFAOYSA-N 1 0 209.289 1.658 10 0 BDAERO [NH3+][C@@]1(CC2CCCC2)CCS(=O)(=O)C1 ZINC000157615963 346383331 /nfs/dbraw/zinc/38/33/31/346383331.db2.gz HUSCIXIAHBQIHA-SNVBAGLBSA-N 1 0 217.334 1.083 10 0 BDAERO C[C@@H](C(=O)N[C@H]1C[NH2+]CC1(C)C)C(C)(C)C ZINC000669379030 537973863 /nfs/dbraw/zinc/97/38/63/537973863.db2.gz UHOKWQXUNWODKJ-UWVGGRQHSA-N 1 0 226.364 1.783 10 0 BDAERO [NH3+]C[C@H]1CCCCN(C(=O)C2CCC2)C1 ZINC000308801980 537974858 /nfs/dbraw/zinc/97/48/58/537974858.db2.gz DZOPCUJJARTADD-SNVBAGLBSA-N 1 0 210.321 1.374 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](OC)C1 ZINC000300036459 346404357 /nfs/dbraw/zinc/40/43/57/346404357.db2.gz AOSBVVSLGHDUGI-TUAOUCFPSA-N 1 0 212.337 1.238 10 0 BDAERO [NH3+]C[C@@H]1CCCCN(C(=O)C2CCC2)C1 ZINC000308801979 537974993 /nfs/dbraw/zinc/97/49/93/537974993.db2.gz DZOPCUJJARTADD-JTQLQIEISA-N 1 0 210.321 1.374 10 0 BDAERO C[C@@](CC[NH3+])(NC(=O)C1(C)CC1)C(F)F ZINC000669379338 537977635 /nfs/dbraw/zinc/97/76/35/537977635.db2.gz CDDBPBITPUUJEV-JTQLQIEISA-N 1 0 220.263 1.275 10 0 BDAERO Cc1cccc(CN2C[C@H](C[NH3+])CC2=O)c1 ZINC000019669308 179085021 /nfs/dbraw/zinc/08/50/21/179085021.db2.gz FTMUQDNPSGBWAY-LBPRGKRZSA-N 1 0 218.300 1.302 10 0 BDAERO Cc1cccc(CNC(=O)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000048266308 179088236 /nfs/dbraw/zinc/08/82/36/179088236.db2.gz XZHNDJWXZFZZHO-JSGCOSHPSA-N 1 0 246.354 1.999 10 0 BDAERO Cc1cccc(CN2C[C@H]([NH3+])CC2=O)c1 ZINC000048266385 179083911 /nfs/dbraw/zinc/08/39/11/179083911.db2.gz PMYWLEQPJWFVNI-LLVKDONJSA-N 1 0 204.273 1.055 10 0 BDAERO [NH3+]Cc1cc(Cl)cc(CN2CCOCC2)c1 ZINC000669379485 537979021 /nfs/dbraw/zinc/97/90/21/537979021.db2.gz DKVXHSAQAVYKIS-UHFFFAOYSA-N 1 0 240.734 1.631 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Cc1cn2ccsc2n1 ZINC000148809726 346449401 /nfs/dbraw/zinc/44/94/01/346449401.db2.gz PCZWFLLNLGEGOQ-JGVFFNPUSA-N 1 0 209.318 1.922 10 0 BDAERO C[C@H](Cc1cn2ccsc2n1)[C@H](C)[NH3+] ZINC000148810341 346454688 /nfs/dbraw/zinc/45/46/88/346454688.db2.gz PCZWFLLNLGEGOQ-SFYZADRCSA-N 1 0 209.318 1.922 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241965 537981501 /nfs/dbraw/zinc/98/15/01/537981501.db2.gz YDGBOLZOQSIEHR-LLVKDONJSA-N 1 0 239.363 1.568 10 0 BDAERO CCOc1nccnc1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000574976692 346477252 /nfs/dbraw/zinc/47/72/52/346477252.db2.gz UPUZCPLSXZBDLL-UWVGGRQHSA-N 1 0 236.319 1.049 10 0 BDAERO OC[C@@H]1CCCN([C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000725241610 537980514 /nfs/dbraw/zinc/98/05/14/537980514.db2.gz JGZIALWMCVGACL-RDBSUJKOSA-N 1 0 238.375 1.318 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnn(C)c1 ZINC000105863763 346561177 /nfs/dbraw/zinc/56/11/77/346561177.db2.gz NHFKVDBSILLFEK-CYBMUJFWSA-N 1 0 236.363 1.336 10 0 BDAERO CC(C)C(=O)N[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669379775 537982701 /nfs/dbraw/zinc/98/27/01/537982701.db2.gz CLFODILWEDLXMT-YFKPBYRVSA-N 1 0 248.195 1.284 10 0 BDAERO CC[C@@](O)(C[NH+]1CCCC1)C(F)(F)F ZINC000669379954 537983008 /nfs/dbraw/zinc/98/30/08/537983008.db2.gz NHZCDAISVKIJHG-MRVPVSSYSA-N 1 0 211.227 1.786 10 0 BDAERO [NH3+][C@@H](Cc1ccncc1)[C@@H]1CCSC1 ZINC000163845718 346579726 /nfs/dbraw/zinc/57/97/26/346579726.db2.gz XOUOPMQYQKBCBZ-MNOVXSKESA-N 1 0 208.330 1.705 10 0 BDAERO Cc1ccc(F)cc1CC(=O)C1C[NH2+]C1 ZINC000164014581 346587079 /nfs/dbraw/zinc/58/70/79/346587079.db2.gz FVUDNERPRRIJIV-UHFFFAOYSA-N 1 0 207.248 1.465 10 0 BDAERO Cc1ccc([C@@H](C[NH3+])N2CCCO2)s1 ZINC000164193106 346595006 /nfs/dbraw/zinc/59/50/06/346595006.db2.gz WCWHRUIMQHXNQV-SECBINFHSA-N 1 0 212.318 1.694 10 0 BDAERO Cc1nc2ccc(C[NH3+])cn2c1Br ZINC000164257645 346597586 /nfs/dbraw/zinc/59/75/86/346597586.db2.gz HZJCTHMSIBVUHX-UHFFFAOYSA-N 1 0 240.104 1.864 10 0 BDAERO Cc1cccc(NC(=O)C2(C)CC[NH2+]CC2)n1 ZINC000062839676 179124848 /nfs/dbraw/zinc/12/48/48/179124848.db2.gz PQLCJDMJLWGGSF-UHFFFAOYSA-N 1 0 233.315 1.718 10 0 BDAERO Cc1ccsc1[C@H]([NH3+])c1ccnnc1 ZINC000164361200 346602456 /nfs/dbraw/zinc/60/24/56/346602456.db2.gz MJPHTCMSNMTTGN-SECBINFHSA-N 1 0 205.286 1.895 10 0 BDAERO [NH3+]C[C@@H]1CCN(c2nc(Cl)cs2)C1 ZINC000165292225 346647090 /nfs/dbraw/zinc/64/70/90/346647090.db2.gz SNBRSDADASLQKF-LURJTMIESA-N 1 0 217.725 1.582 10 0 BDAERO CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000106385992 346650880 /nfs/dbraw/zinc/65/08/80/346650880.db2.gz BYNZJEDTUKWZBV-VXGBXAGGSA-N 1 0 223.320 1.328 10 0 BDAERO Cc1nccc(Cl)c1[C@@H]1C[NH2+]CCN1 ZINC000669379976 537984942 /nfs/dbraw/zinc/98/49/42/537984942.db2.gz NQQVVNCJEYBYHX-VIFPVBQESA-N 1 0 211.696 1.277 10 0 BDAERO Cc1cccc(NCCC(=O)N(C)C)[nH+]1 ZINC000037752195 179143649 /nfs/dbraw/zinc/14/36/49/179143649.db2.gz FICSYTVMAQSXBY-UHFFFAOYSA-N 1 0 207.277 1.280 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCCc1ccc(C)nc1 ZINC000166648962 346685019 /nfs/dbraw/zinc/68/50/19/346685019.db2.gz LDFDPPGJBAFILJ-LBPRGKRZSA-N 1 0 235.331 1.176 10 0 BDAERO CN(Cc1ccccc1)C(=O)C1(C[NH3+])CCC1 ZINC000167050720 346697615 /nfs/dbraw/zinc/69/76/15/346697615.db2.gz BCOCZNAOGGQQEC-UHFFFAOYSA-N 1 0 232.327 1.774 10 0 BDAERO CC[C@H](C)[C@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242569 537986067 /nfs/dbraw/zinc/98/60/67/537986067.db2.gz IHUIZHHLFUJLCX-CABZTGNLSA-N 1 0 207.321 1.827 10 0 BDAERO Cn1cnc2c1[C@](C)(CC1CC1)[NH2+]CC2 ZINC000725242535 537985800 /nfs/dbraw/zinc/98/58/00/537985800.db2.gz CKJJFLWEMJHQPP-LBPRGKRZSA-N 1 0 205.305 1.581 10 0 BDAERO Cc1cccc(N[C@H]2CCC[N@@H+](C)C2)n1 ZINC000040673498 179158036 /nfs/dbraw/zinc/15/80/36/179158036.db2.gz ZCJAFBUHOLQBOL-NSHDSACASA-N 1 0 205.305 1.896 10 0 BDAERO Cc1cccc(OCC[C@@H](O)CC[NH3+])c1C ZINC000041243106 179169578 /nfs/dbraw/zinc/16/95/78/179169578.db2.gz UUFSLIGHKCWAMC-LBPRGKRZSA-N 1 0 223.316 1.782 10 0 BDAERO Cc1cccc(OCC[C@@H](C[NH3+])N(C)C)c1C ZINC000019663841 179169670 /nfs/dbraw/zinc/16/96/70/179169670.db2.gz VHQLTALFHAUYDA-ZDUSSCGKSA-N 1 0 236.359 1.961 10 0 BDAERO Cc1cccc(OCCN2C[C@H](C[NH3+])CC2=O)c1 ZINC000041301306 179167983 /nfs/dbraw/zinc/16/79/83/179167983.db2.gz YXNRZDLFEKMFPF-LBPRGKRZSA-N 1 0 248.326 1.181 10 0 BDAERO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2O)c1 ZINC000042896641 179168589 /nfs/dbraw/zinc/16/85/89/179168589.db2.gz WVUDUWRGPPTEGX-KGLIPLIRSA-N 1 0 235.327 1.877 10 0 BDAERO CC[C@@H](C)[C@]1(C)[NH2+]CCc2ncn(C)c21 ZINC000725242571 537986802 /nfs/dbraw/zinc/98/68/02/537986802.db2.gz IHUIZHHLFUJLCX-SKDRFNHKSA-N 1 0 207.321 1.827 10 0 BDAERO COc1cccc([C@@]2(O)C[NH+]3CCC2CC3)c1 ZINC000039343497 347189648 /nfs/dbraw/zinc/18/96/48/347189648.db2.gz UAQYYXHREPSVMZ-CQSZACIVSA-N 1 0 233.311 1.608 10 0 BDAERO Cc1nc(C)n([C@H](C[NH3+])c2cccc(C)c2)n1 ZINC000042967859 179185500 /nfs/dbraw/zinc/18/55/00/179185500.db2.gz YIFQJDXVPPRABB-CYBMUJFWSA-N 1 0 230.315 1.751 10 0 BDAERO Cc1cccc([C@@H]([NH2+]C2CC2)C(N)=O)c1 ZINC000037870410 179186892 /nfs/dbraw/zinc/18/68/92/179186892.db2.gz RZRQFONQGMXHML-LLVKDONJSA-N 1 0 204.273 1.273 10 0 BDAERO Cc1cccc([C@@H]([NH2+]C[C@H]2CCCO2)C(N)=O)c1 ZINC000037942899 179187214 /nfs/dbraw/zinc/18/72/14/179187214.db2.gz ORIMMYDZZTWYJS-CHWSQXEVSA-N 1 0 248.326 1.290 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+]CC(=O)N(C)C)c1 ZINC000037254300 179181316 /nfs/dbraw/zinc/18/13/16/179181316.db2.gz UBIVIXMKJYZWDA-LLVKDONJSA-N 1 0 220.316 1.734 10 0 BDAERO O[C@@H]1C[NH2+]CC[C@]1(F)c1ccc(Cl)cc1 ZINC000059716020 347229906 /nfs/dbraw/zinc/22/99/06/347229906.db2.gz QXQMFLLHKJZHDX-MNOVXSKESA-N 1 0 229.682 1.859 10 0 BDAERO CCS(=O)(=O)[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C ZINC000250239978 362796696 /nfs/dbraw/zinc/79/66/96/362796696.db2.gz KOBPTDGKSHHUIC-IVZWLZJFSA-N 1 0 219.350 1.198 10 0 BDAERO CC[S@](=O)[C@H]1CCCCC[C@H]1C[NH3+] ZINC000250236836 362796859 /nfs/dbraw/zinc/79/68/59/362796859.db2.gz IPCMLQCYEVPZIH-KWBADKCTSA-N 1 0 203.351 1.663 10 0 BDAERO CC[S@](=O)[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000250236832 362796870 /nfs/dbraw/zinc/79/68/70/362796870.db2.gz IPCMLQCYEVPZIH-CWSCBRNRSA-N 1 0 203.351 1.663 10 0 BDAERO CC[S@](=O)[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000250246693 362797181 /nfs/dbraw/zinc/79/71/81/362797181.db2.gz PMOOFOHTZFOKQE-WDMOLILDSA-N 1 0 209.314 1.380 10 0 BDAERO Cc1cccc([C@H](C)[NH2+]CC(=O)NC2CC2)c1 ZINC000037262915 179194806 /nfs/dbraw/zinc/19/48/06/179194806.db2.gz XHMNSCGMEHFFOT-NSHDSACASA-N 1 0 232.327 1.924 10 0 BDAERO CCCc1cc2nc(C3C[NH2+]C3)nn2c(O)c1 ZINC000725242947 537987945 /nfs/dbraw/zinc/98/79/45/537987945.db2.gz BVLBMJUJFUCXQP-UHFFFAOYSA-N 1 0 232.287 1.074 10 0 BDAERO CC[NH+](CC)CCOc1cc(Cl)nc(N)n1 ZINC000087795666 362789598 /nfs/dbraw/zinc/78/95/98/362789598.db2.gz ADZYQMSYMNCKPC-UHFFFAOYSA-N 1 0 244.726 1.433 10 0 BDAERO C[N@H+](C[C@H]1CCCC1=O)[C@H]1CCSC1 ZINC000250379889 362801681 /nfs/dbraw/zinc/80/16/81/362801681.db2.gz JAHRCNGFMOVWSJ-ZJUUUORDSA-N 1 0 213.346 1.793 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H](F)C[NH2+]2)o1 ZINC000188846575 347290029 /nfs/dbraw/zinc/29/00/29/347290029.db2.gz VZJZAMXQTRGREK-LPEHRKFASA-N 1 0 240.278 1.465 10 0 BDAERO C[N@H+]([C@H]1CCOC1)[C@H]1CCCCCC1=O ZINC000250436642 362805080 /nfs/dbraw/zinc/80/50/80/362805080.db2.gz SDSMHYZATJJJTO-QWRGUYRKSA-N 1 0 211.305 1.609 10 0 BDAERO FC(F)COCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000189224477 347299613 /nfs/dbraw/zinc/29/96/13/347299613.db2.gz WGWOCFQOOIIMDZ-JTQLQIEISA-N 1 0 234.290 1.048 10 0 BDAERO Cc1cccc([C@H]([NH2+]C[C@H]2CCCO2)C(N)=O)c1 ZINC000037942898 179202097 /nfs/dbraw/zinc/20/20/97/179202097.db2.gz ORIMMYDZZTWYJS-OLZOCXBDSA-N 1 0 248.326 1.290 10 0 BDAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCC[C@H](O)C2)c1 ZINC000042966416 179203241 /nfs/dbraw/zinc/20/32/41/179203241.db2.gz UMJVJPQPRDDAME-SNPRPXQTSA-N 1 0 248.370 1.840 10 0 BDAERO C[C@@H]1CN(c2ncc(F)cn2)C[C@@]1(C)C[NH3+] ZINC000380811868 347336712 /nfs/dbraw/zinc/33/67/12/347336712.db2.gz KBZWTNGSZCTROW-LDYMZIIASA-N 1 0 224.283 1.037 10 0 BDAERO C[NH2+][C@@H]1CCCN(C[C@H]2CCCS2)C1 ZINC000250771790 362820611 /nfs/dbraw/zinc/82/06/11/362820611.db2.gz VBSHIXUOKPYBHY-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO C[NH2+][C@H]1CCCN(C[C@H]2CCCS2)C1 ZINC000250771794 362821346 /nfs/dbraw/zinc/82/13/46/362821346.db2.gz VBSHIXUOKPYBHY-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO CCc1nc(Cl)cc(NN(C)C)[nH+]1 ZINC000149620678 347381140 /nfs/dbraw/zinc/38/11/40/347381140.db2.gz OQWNUSSONCCSOL-UHFFFAOYSA-N 1 0 200.673 1.581 10 0 BDAERO O=C1CC[C@H]([N@H+]2CCCC[C@H]2CCO)C1 ZINC000250851023 362824238 /nfs/dbraw/zinc/82/42/38/362824238.db2.gz OGDSYKZDNQURTJ-QWRGUYRKSA-N 1 0 211.305 1.345 10 0 BDAERO CCCc1nc([C@]2([NH3+])CCSC2)no1 ZINC000036763349 347449567 /nfs/dbraw/zinc/44/95/67/347449567.db2.gz KWJUDSNWYUMLHM-VIFPVBQESA-N 1 0 213.306 1.313 10 0 BDAERO O=C1CCCCC[C@@H]1[N@H+]1CCC[C@H]1CO ZINC000251094723 362836964 /nfs/dbraw/zinc/83/69/64/362836964.db2.gz IXKBCTIYSWMXPQ-QWRGUYRKSA-N 1 0 211.305 1.345 10 0 BDAERO c1cc2c(o1)[C@]1(C[C@H]3COC[C@@H]31)[NH2+]CC2 ZINC000725242910 537989803 /nfs/dbraw/zinc/98/98/03/537989803.db2.gz WVRSOCCSOGJEDQ-JBLDHEPKSA-N 1 0 205.257 1.287 10 0 BDAERO C1C[C@]2(NCCCS2)[C@H]2CCCC[N@H+]12 ZINC000227925898 347421704 /nfs/dbraw/zinc/42/17/04/347421704.db2.gz VBHPLIKELJUROT-GHMZBOCLSA-N 1 0 212.362 1.667 10 0 BDAERO CCC(CC)CN(CC)C(=O)[C@@H](C)[NH2+]C ZINC000054072525 347429087 /nfs/dbraw/zinc/42/90/87/347429087.db2.gz ZJWKLARDTKESCF-SNVBAGLBSA-N 1 0 214.353 1.879 10 0 BDAERO Cc1ccccc1-c1ccc(C[NH3+])c(=O)[nH]1 ZINC000043404352 179236023 /nfs/dbraw/zinc/23/60/23/179236023.db2.gz HSUPESYTKFNLBZ-UHFFFAOYSA-N 1 0 214.268 1.809 10 0 BDAERO CC[S@@](=N)(=O)C1CC[NH+](C(C)C)CC1 ZINC000616568224 347444549 /nfs/dbraw/zinc/44/45/49/347444549.db2.gz GTFACIPTVDQLBE-CQSZACIVSA-N 1 0 218.366 1.926 10 0 BDAERO Cc1ccccc1-c1nc(CCC[NH3+])no1 ZINC000019682241 179238700 /nfs/dbraw/zinc/23/87/00/179238700.db2.gz SKFCLJAGPAOQCS-UHFFFAOYSA-N 1 0 217.272 1.936 10 0 BDAERO CC[C@H]1CCN(C(=O)C(C)(C)C)C[C@H]1[NH3+] ZINC000616568378 347447251 /nfs/dbraw/zinc/44/72/51/347447251.db2.gz BELXQOIASNONEZ-VHSXEESVSA-N 1 0 212.337 1.618 10 0 BDAERO Cc1ccccc1CCC(=O)N(CC[NH3+])C1CC1 ZINC000051966666 179260807 /nfs/dbraw/zinc/26/08/07/179260807.db2.gz BUCUXIWKJYEMQE-UHFFFAOYSA-N 1 0 246.354 1.877 10 0 BDAERO Cc1ccccc1CN1C[C@@H](C[NH3+])O[C@@H](C)C1 ZINC000071544580 179276602 /nfs/dbraw/zinc/27/66/02/179276602.db2.gz VNVNXMCUGRFDMI-GXTWGEPZSA-N 1 0 234.343 1.543 10 0 BDAERO CC(C)[N@H+](C[C@H](C)O)C[C@H]1CCCN1C ZINC000591918092 347708941 /nfs/dbraw/zinc/70/89/41/347708941.db2.gz ZQVSDLKLPNEWIP-NWDGAFQWSA-N 1 0 214.353 1.172 10 0 BDAERO CCOC(=O)COCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592180479 347759438 /nfs/dbraw/zinc/75/94/38/347759438.db2.gz STUAHWCJYPEGMB-QJPTWQEYSA-N 1 0 241.331 1.344 10 0 BDAERO CC(C)(Cl)c1cn([C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000669380826 537992732 /nfs/dbraw/zinc/99/27/32/537992732.db2.gz XJWVGAKAALPPKU-JGVFFNPUSA-N 1 0 228.727 1.804 10 0 BDAERO O=C(CC1CC1)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000616569695 347805544 /nfs/dbraw/zinc/80/55/44/347805544.db2.gz BXPCLZSKTQOFQS-GHMZBOCLSA-N 1 0 208.305 1.139 10 0 BDAERO Cc1ccccc1C[C@@H](O)C1CC[NH2+]CC1 ZINC000041232868 179289569 /nfs/dbraw/zinc/28/95/69/179289569.db2.gz ZFTPGONHIQWCER-CQSZACIVSA-N 1 0 219.328 1.898 10 0 BDAERO Cc1ccccc1NC(=O)CSCC[NH3+] ZINC000019486405 179298713 /nfs/dbraw/zinc/29/87/13/179298713.db2.gz FLNGRMMBLBSSBO-UHFFFAOYSA-N 1 0 224.329 1.625 10 0 BDAERO CC[C@@H]1CCN(C(=O)C2CCCC2)C[C@H]1[NH3+] ZINC000616569793 347832981 /nfs/dbraw/zinc/83/29/81/347832981.db2.gz KERZJYVFOUODKU-ZYHUDNBSSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1ccccc1NC(=O)C[NH2+]CCN(C)C ZINC000020057012 179299541 /nfs/dbraw/zinc/29/95/41/179299541.db2.gz IYLLLRCAARVCLU-UHFFFAOYSA-N 1 0 235.331 1.085 10 0 BDAERO Cc1ccccc1O[C@H]1COCC[C@@H]1[NH3+] ZINC000036305808 179314153 /nfs/dbraw/zinc/31/41/53/179314153.db2.gz UCESSLPKYJWJSW-JQWIXIFHSA-N 1 0 207.273 1.490 10 0 BDAERO Cc1ccccc1S(=O)(=O)[C@H](C)C[NH3+] ZINC000082642210 179315192 /nfs/dbraw/zinc/31/51/92/179315192.db2.gz TYUHBHCQZVDCMB-SECBINFHSA-N 1 0 213.302 1.116 10 0 BDAERO Cc1ccccc1[C@@H]([NH2+]C(C)C)C(N)=O ZINC000037869379 179324480 /nfs/dbraw/zinc/32/44/80/179324480.db2.gz HNPBQDIBJZQNMY-LLVKDONJSA-N 1 0 206.289 1.519 10 0 BDAERO CN(C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000036906829 347970682 /nfs/dbraw/zinc/97/06/82/347970682.db2.gz VZPXPYVPYHJPJB-ZCFIWIBFSA-N 1 0 204.726 1.963 10 0 BDAERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])n1cncn1 ZINC000043037680 179328830 /nfs/dbraw/zinc/32/88/30/179328830.db2.gz DHPRJZLNGFMTLL-ZYHUDNBSSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037163668 348027822 /nfs/dbraw/zinc/02/78/22/348027822.db2.gz DJFIWUAMQIZICV-NEPJUHHUSA-N 1 0 237.347 1.430 10 0 BDAERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000262512315 179349285 /nfs/dbraw/zinc/34/92/85/179349285.db2.gz DOOFMPFMJPBQQZ-UHTWSYAYSA-N 1 0 232.327 1.562 10 0 BDAERO [NH3+]Cc1ncccc1NC(=O)C1CCC1 ZINC000616570795 348073747 /nfs/dbraw/zinc/07/37/47/348073747.db2.gz CQUCDBBGKVUMCN-UHFFFAOYSA-N 1 0 205.261 1.279 10 0 BDAERO CCc1c(C)nc2ccc(NC(=O)C[NH3+])cn21 ZINC000616570859 348075722 /nfs/dbraw/zinc/07/57/22/348075722.db2.gz ADXWIRLBLOMARZ-UHFFFAOYSA-N 1 0 232.287 1.102 10 0 BDAERO Cc1ccccc1[C@H]([NH3+])CN1CCCC1=O ZINC000022563464 179344007 /nfs/dbraw/zinc/34/40/07/179344007.db2.gz IRVWYCFSXORFPV-GFCCVEGCSA-N 1 0 218.300 1.617 10 0 BDAERO Cc1cccn(C[C@H]2CCC[NH2+]C2)c1=O ZINC000057871666 179352810 /nfs/dbraw/zinc/35/28/10/179352810.db2.gz HFXATSWYPAVYEC-NSHDSACASA-N 1 0 206.289 1.156 10 0 BDAERO Cc1cccnc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000051813542 179364721 /nfs/dbraw/zinc/36/47/21/179364721.db2.gz CFBUCNMXAMYPRI-WDEREUQCSA-N 1 0 233.315 1.390 10 0 BDAERO [NH3+]C[C@H](n1cccn1)C(F)(F)C(F)(F)F ZINC000616571524 348199581 /nfs/dbraw/zinc/19/95/81/348199581.db2.gz YRAYCCYMQSYGOO-YFKPBYRVSA-N 1 0 229.152 1.581 10 0 BDAERO Cc1cccnc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282201218 179382157 /nfs/dbraw/zinc/38/21/57/179382157.db2.gz CPKZFLZAIRYCFN-WDEREUQCSA-N 1 0 233.315 1.147 10 0 BDAERO Cc1cccnc1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000294952095 179376039 /nfs/dbraw/zinc/37/60/39/179376039.db2.gz HPTMDACSTOOPQT-YPMHNXCESA-N 1 0 220.316 1.735 10 0 BDAERO C[C@@H]1CCCN(c2cc(N)c(N)c[nH+]2)[C@@H]1C ZINC000669382464 538000643 /nfs/dbraw/zinc/00/06/43/538000643.db2.gz AILUVOYZPGXQSK-RKDXNWHRSA-N 1 0 220.320 1.871 10 0 BDAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CCCOCC1 ZINC000725244877 538000852 /nfs/dbraw/zinc/00/08/52/538000852.db2.gz NMVIVXAXFLGIKQ-GFCCVEGCSA-N 1 0 229.320 1.474 10 0 BDAERO C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000669381941 538001066 /nfs/dbraw/zinc/00/10/66/538001066.db2.gz BCPODKGKYVBJRG-VIFPVBQESA-N 1 0 219.288 1.479 10 0 BDAERO O=C(C[NH2+][C@@H]1CCc2ccccc21)NC1CC1 ZINC000035149098 358454258 /nfs/dbraw/zinc/45/42/58/358454258.db2.gz NHWNNXUKPAQKIL-CYBMUJFWSA-N 1 0 230.311 1.542 10 0 BDAERO CCCc1nc([C@@H]2CC[N@H+](C)C2)cc(=O)[nH]1 ZINC000669381921 538000777 /nfs/dbraw/zinc/00/07/77/538000777.db2.gz AFWQGGZEQGALFZ-SECBINFHSA-N 1 0 221.304 1.554 10 0 BDAERO CC(=O)C[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251479611 362878713 /nfs/dbraw/zinc/87/87/13/362878713.db2.gz FNCJVHYKYUIWBZ-PWSUYJOCSA-N 1 0 210.321 1.134 10 0 BDAERO C[C@@H]1CN([C@H]2CCSC2)[C@H](C)C[NH2+]1 ZINC000251654738 362894702 /nfs/dbraw/zinc/89/47/02/362894702.db2.gz GPEUXMICECMILJ-BBBLOLIVSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1cccnc1[C@@H]([NH3+])c1cnn(C)c1 ZINC000049850113 179398158 /nfs/dbraw/zinc/39/81/58/179398158.db2.gz WECSPJKWLGHKQX-JTQLQIEISA-N 1 0 202.261 1.172 10 0 BDAERO Cc1ccn(-c2ccc(C[NH3+])cc2C)n1 ZINC000052855864 179399591 /nfs/dbraw/zinc/39/95/91/179399591.db2.gz MPZYHEYHFARYHF-UHFFFAOYSA-N 1 0 201.273 1.948 10 0 BDAERO Cc1ccn(-c2ccc(Cl)c(C[NH3+])n2)n1 ZINC000052885102 179399794 /nfs/dbraw/zinc/39/97/94/179399794.db2.gz CHTNDWWMFVPLNJ-UHFFFAOYSA-N 1 0 222.679 1.688 10 0 BDAERO CC[C@H]1CCC[N@@H+]1C[C@H]1CSCCN1 ZINC000251698452 362899554 /nfs/dbraw/zinc/89/95/54/362899554.db2.gz IUFIHURQADQZBQ-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H]1CCS[C@H]([C@H]2CCCOC2)[NH2+]1 ZINC000251532848 362884556 /nfs/dbraw/zinc/88/45/56/362884556.db2.gz AWNVEHCOFUPRPB-KXUCPTDWSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@H]1C[NH2+]CCN1C[C@H]1CCCCS1 ZINC000251604276 362889283 /nfs/dbraw/zinc/88/92/83/362889283.db2.gz DFOASBDCGOWUJR-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO COC1CC[NH+]([C@H]2CCCCC2=O)CC1 ZINC000037337295 348341105 /nfs/dbraw/zinc/34/11/05/348341105.db2.gz GQFPKZJXMVNWBU-NSHDSACASA-N 1 0 211.305 1.609 10 0 BDAERO COC[C@@H](C)N1CC(C)(C)[NH2+]C[C@H]1C ZINC000251747631 362904860 /nfs/dbraw/zinc/90/48/60/362904860.db2.gz LEJBLBQHZAEJIR-NXEZZACHSA-N 1 0 200.326 1.094 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]([C@H]2CCCOC2)SC1 ZINC000251761307 362909284 /nfs/dbraw/zinc/90/92/84/362909284.db2.gz LVPNKWRGIOCQIR-KXUCPTDWSA-N 1 0 201.335 1.712 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+][C@H](C)CC[S@@](=O)[C@@H]2C1 ZINC000251788207 362918700 /nfs/dbraw/zinc/91/87/00/362918700.db2.gz LKWDELZYDNCXAO-YNXVLUOKSA-N 1 0 215.362 1.674 10 0 BDAERO Cc1ccnc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000061859924 179463082 /nfs/dbraw/zinc/46/30/82/179463082.db2.gz BPOLLQZKARJRER-SNVBAGLBSA-N 1 0 207.277 1.306 10 0 BDAERO Cc1ccoc1C(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063212284 179507979 /nfs/dbraw/zinc/50/79/79/179507979.db2.gz GVOKUROJIFVCIG-QWRGUYRKSA-N 1 0 236.315 1.978 10 0 BDAERO Cc1ccsc1[C@H](C[NH3+])n1cccn1 ZINC000043249091 179556128 /nfs/dbraw/zinc/55/61/28/179556128.db2.gz SIHXFEJMTJMYOC-VIFPVBQESA-N 1 0 207.302 1.801 10 0 BDAERO CSC[C@](C)(O)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000597057611 348654260 /nfs/dbraw/zinc/65/42/60/348654260.db2.gz NSVCVIRPCBWMDJ-GRYCIOLGSA-N 1 0 245.388 1.258 10 0 BDAERO CC[C@]([NH3+])(C(N)=O)c1ccc(Cl)cc1 ZINC000037459999 348614703 /nfs/dbraw/zinc/61/47/03/348614703.db2.gz NCZFYGZSSGLCFW-SNVBAGLBSA-N 1 0 212.680 1.389 10 0 BDAERO Cc1cnc(NC[C@H]2CC[NH2+]C2)nc1Cl ZINC000095069339 179637126 /nfs/dbraw/zinc/63/71/26/179637126.db2.gz WPATUUWLUYPCJR-QMMMGPOBSA-N 1 0 226.711 1.460 10 0 BDAERO CC(C)C(=O)N[C@@H]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000669383343 538011049 /nfs/dbraw/zinc/01/10/49/538011049.db2.gz TVTPQOGOLQNZEB-QJPTWQEYSA-N 1 0 224.348 1.537 10 0 BDAERO COc1ccc2c(c1OC)[C@]1(C[C@H]1[NH3+])CN2 ZINC000725247088 538011200 /nfs/dbraw/zinc/01/12/00/538011200.db2.gz GVXDJLNWHRCJIC-BXKDBHETSA-N 1 0 220.272 1.098 10 0 BDAERO C[N@@H+]1CCN2CC[C@@](C)(O)c3cccc(c32)C1 ZINC000207772792 348820324 /nfs/dbraw/zinc/82/03/24/348820324.db2.gz LAKZLGUTIVXKGU-CQSZACIVSA-N 1 0 232.327 1.550 10 0 BDAERO CC(C)CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290725 348962948 /nfs/dbraw/zinc/96/29/48/348962948.db2.gz XTPDEMXPYDXWDJ-NSHDSACASA-N 1 0 212.337 1.491 10 0 BDAERO CC[C@@H]1COCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290958 348962968 /nfs/dbraw/zinc/96/29/68/348962968.db2.gz NMCKNQNBGNWHJE-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO Cc1cncc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399297762 323203288 /nfs/dbraw/zinc/20/32/88/323203288.db2.gz VXECBWQIKCVKFB-AAEUAGOBSA-N 1 0 220.316 1.735 10 0 BDAERO Cc1cnc(N(C)[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cn1 ZINC000616576578 349102153 /nfs/dbraw/zinc/10/21/53/349102153.db2.gz ANGLRDUCBLLELB-GRYCIOLGSA-N 1 0 232.331 1.219 10 0 BDAERO C=CC(=O)N1CC[C@@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616572634 349061863 /nfs/dbraw/zinc/06/18/63/349061863.db2.gz XCXGOMMTZPLWEY-QWRGUYRKSA-N 1 0 210.321 1.394 10 0 BDAERO CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616572905 349064573 /nfs/dbraw/zinc/06/45/73/349064573.db2.gz XJNMOUCNVNZVQN-STQMWFEESA-N 1 0 218.300 1.268 10 0 BDAERO CC(C)=CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000616572207 349065255 /nfs/dbraw/zinc/06/52/55/349065255.db2.gz PTKXJXDTUPHUNE-WDEREUQCSA-N 1 0 208.305 1.306 10 0 BDAERO COC(=O)CCCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000599360630 349159353 /nfs/dbraw/zinc/15/93/53/349159353.db2.gz ZUDUDKMTCLNBGT-WDEREUQCSA-N 1 0 229.320 1.487 10 0 BDAERO CCCc1ncc(C(=O)OC)c([C@H]2CCC[NH2+]2)n1 ZINC000616579504 349164634 /nfs/dbraw/zinc/16/46/34/349164634.db2.gz RFRWSLXPEOAFFY-SNVBAGLBSA-N 1 0 249.314 1.640 10 0 BDAERO COC(=O)CCCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000599433947 349173936 /nfs/dbraw/zinc/17/39/36/349173936.db2.gz NQRGXEVYEWLYIU-MNOVXSKESA-N 1 0 229.320 1.175 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])O1 ZINC000251921572 349193508 /nfs/dbraw/zinc/19/35/08/349193508.db2.gz UREKYOUPXOZESV-WISYIIOYSA-N 1 0 240.347 1.188 10 0 BDAERO CC[C@@H](C)n1nccc1[C@H](O)C[NH2+]C(C)C ZINC000725253498 538037333 /nfs/dbraw/zinc/03/73/33/538037333.db2.gz NFIOTOQIUYECPD-ZYHUDNBSSA-N 1 0 225.336 1.886 10 0 BDAERO [NH3+]Cc1ccccc1-n1cc(Cl)cn1 ZINC000020352366 190981916 /nfs/dbraw/zinc/98/19/16/190981916.db2.gz WTYOBIQUKRBRFM-UHFFFAOYSA-N 1 0 207.664 1.984 10 0 BDAERO CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000388627612 349276251 /nfs/dbraw/zinc/27/62/51/349276251.db2.gz HNPUVOCHNQMCLL-WRWGMCAJSA-N 1 0 224.348 1.537 10 0 BDAERO CCCC1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC000049545472 168604015 /nfs/dbraw/zinc/60/40/15/168604015.db2.gz HVKGNQLIPQPEDU-UHFFFAOYSA-N 1 0 241.335 1.130 10 0 BDAERO [NH3+]C[C@@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000061277689 349373729 /nfs/dbraw/zinc/37/37/29/349373729.db2.gz ZWVDOFAFWYTJCQ-JTQLQIEISA-N 1 0 232.331 1.140 10 0 BDAERO Cc1nc(C)n(CC[NH2+]C2CCCCC2)n1 ZINC000053541899 179921791 /nfs/dbraw/zinc/92/17/91/179921791.db2.gz KUFPNFDSSSNPPN-UHFFFAOYSA-N 1 0 222.336 1.817 10 0 BDAERO Cc1nc(C)n([C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000041062669 179922938 /nfs/dbraw/zinc/92/29/38/179922938.db2.gz YVDDQWVJSIQMQM-GHMZBOCLSA-N 1 0 208.309 1.585 10 0 BDAERO Cc1nc(C)n([C@H]2CCCCC[C@@H]2C[NH3+])n1 ZINC000041062674 179924901 /nfs/dbraw/zinc/92/49/01/179924901.db2.gz ARLFVYCDRXWOAR-NEPJUHHUSA-N 1 0 222.336 1.975 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CCO1 ZINC000324428351 323232937 /nfs/dbraw/zinc/23/29/37/323232937.db2.gz AZAAMQGRVMQVLP-IJLUTSLNSA-N 1 0 229.364 1.941 10 0 BDAERO N#Cc1cnnc(N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000396957308 350010149 /nfs/dbraw/zinc/01/01/49/350010149.db2.gz WBHHGWKCCGJTHF-GFCCVEGCSA-N 1 0 243.314 1.023 10 0 BDAERO [NH3+]CCN1C[C@@H]2CCCN2C2=C(F)C=CC[C@H]21 ZINC000216791885 350015829 /nfs/dbraw/zinc/01/58/29/350015829.db2.gz FUQZCNOSUPKGOV-CMPLNLGQSA-N 1 0 237.322 1.235 10 0 BDAERO C[C@@H](C[NH3+])N1CCN(C2CC2)c2ccccc21 ZINC000216790303 350016084 /nfs/dbraw/zinc/01/60/84/350016084.db2.gz PXZWHPTYPWDGGD-NSHDSACASA-N 1 0 231.343 1.823 10 0 BDAERO CSC[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601978202 349413370 /nfs/dbraw/zinc/41/33/70/349413370.db2.gz VRUCGSLEOSGXLA-SCVCMEIPSA-N 1 0 242.388 1.244 10 0 BDAERO CC(C)N(C)C(=O)C[NH2+]CCc1ccco1 ZINC000037979072 190991379 /nfs/dbraw/zinc/99/13/79/190991379.db2.gz ZFUPTNZGQMPDBE-UHFFFAOYSA-N 1 0 224.304 1.279 10 0 BDAERO Cc1nc(CNC2=[NH+]CCS2)cs1 ZINC000049534294 179968194 /nfs/dbraw/zinc/96/81/94/179968194.db2.gz JOZQPHUJCWYVGY-UHFFFAOYSA-N 1 0 213.331 1.644 10 0 BDAERO CNC(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000072187404 191004636 /nfs/dbraw/zinc/00/46/36/191004636.db2.gz QFHNWLKUEBPXOD-LBPRGKRZSA-N 1 0 218.300 1.513 10 0 BDAERO O=C(CSC1=[NH+]CCN1)NC1CCCCC1 ZINC000001994477 350081947 /nfs/dbraw/zinc/08/19/47/350081947.db2.gz WQYAQCIKSGPTOV-UHFFFAOYSA-N 1 0 241.360 1.128 10 0 BDAERO Cc1nc([C@H](O)C[NH2+]C(C)(C)C)ccc1O ZINC000039220461 180055582 /nfs/dbraw/zinc/05/55/82/180055582.db2.gz BSKKYGLTIZHBMY-LLVKDONJSA-N 1 0 224.304 1.517 10 0 BDAERO CCn1cc(C[NH2+]C)c(C(F)(F)F)n1 ZINC000409437467 350137453 /nfs/dbraw/zinc/13/74/53/350137453.db2.gz GUWOBEJNBCFKPW-UHFFFAOYSA-N 1 0 207.199 1.641 10 0 BDAERO CCN(c1cc(F)cc(C[NH3+])c1)S(C)(=O)=O ZINC000725256250 538056735 /nfs/dbraw/zinc/05/67/35/538056735.db2.gz YXPUPFFKSAUSQE-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO CCC(CC)(CO)C[NH2+]C[C@H](O)C(C)(C)C ZINC000304207135 350144154 /nfs/dbraw/zinc/14/41/54/350144154.db2.gz DCUIFFGHYYWWFF-NSHDSACASA-N 1 0 231.380 1.782 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000392883318 350152994 /nfs/dbraw/zinc/15/29/94/350152994.db2.gz JUTCGTHVRJHZCW-GARJFASQSA-N 1 0 240.347 1.201 10 0 BDAERO Cc1nc2ccccc2n1CC1=[NH+]CCN1 ZINC000073292130 180103322 /nfs/dbraw/zinc/10/33/22/180103322.db2.gz ILTKOGZEQWYDDL-UHFFFAOYSA-N 1 0 214.272 1.346 10 0 BDAERO Cc1nc2sc3c(n2n1)CC[NH2+][C@@H]3C ZINC000028429458 180118096 /nfs/dbraw/zinc/11/80/96/180118096.db2.gz HUMCBPSDFOJQMW-RXMQYKEDSA-N 1 0 208.290 1.306 10 0 BDAERO Cc1ncc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)s1 ZINC000309053386 180126328 /nfs/dbraw/zinc/12/63/28/180126328.db2.gz RFCPZPHNJCDFLA-SVRRBLITSA-N 1 0 225.317 1.013 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)s1 ZINC000282365498 180155415 /nfs/dbraw/zinc/15/54/15/180155415.db2.gz NNCOBXPKERJLMP-GMSGAONNSA-N 1 0 239.344 1.208 10 0 BDAERO Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cn1 ZINC000309731044 180152167 /nfs/dbraw/zinc/15/21/67/180152167.db2.gz ZZLLQZZGKPAGPL-RYUDHWBXSA-N 1 0 221.304 1.036 10 0 BDAERO Cc1nccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000038037650 180191820 /nfs/dbraw/zinc/19/18/20/180191820.db2.gz JTQUCFAPQMRYOM-COPLHBTASA-N 1 0 248.374 1.603 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)n1 ZINC000038037712 180192022 /nfs/dbraw/zinc/19/20/22/180192022.db2.gz DCCJWJPRCGOZAI-KGYLQXTDSA-N 1 0 215.300 1.839 10 0 BDAERO O=C([C@H]1CCCC[NH2+]1)N1CC2CCC1CC2 ZINC000309235423 350216394 /nfs/dbraw/zinc/21/63/94/350216394.db2.gz AMTXLKLKGSXNSV-HTAVTVPLSA-N 1 0 222.332 1.530 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2CCC[C@H](O)C2)n1 ZINC000054790654 180192981 /nfs/dbraw/zinc/19/29/81/180192981.db2.gz LXWCQVSLUUMYMR-JQWIXIFHSA-N 1 0 221.304 1.178 10 0 BDAERO Cc1nccc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000054937489 180208245 /nfs/dbraw/zinc/20/82/45/180208245.db2.gz LARLQMLTOLBVAJ-SNVBAGLBSA-N 1 0 207.277 1.306 10 0 BDAERO Cc1nccc(CN2CCC[NH2+][C@H](C)CC2)n1 ZINC000045007762 180184867 /nfs/dbraw/zinc/18/48/67/180184867.db2.gz CTZBTIGPBAWCAC-LLVKDONJSA-N 1 0 234.347 1.359 10 0 BDAERO Cc1nccc(C[NH2+]C[C@@H]2CCCO2)n1 ZINC000038038029 180189186 /nfs/dbraw/zinc/18/91/86/180189186.db2.gz HXSNHZIINZYXRA-NSHDSACASA-N 1 0 207.277 1.054 10 0 BDAERO Cc1nccc(C[NH2+]C[C@H]2CCCCO2)n1 ZINC000038038007 180189831 /nfs/dbraw/zinc/18/98/31/180189831.db2.gz NCMSZVYCRNBBQN-GFCCVEGCSA-N 1 0 221.304 1.444 10 0 BDAERO [NH3+]Cc1ncnn1-c1ccc(Cl)cc1 ZINC000230983393 350229389 /nfs/dbraw/zinc/22/93/89/350229389.db2.gz JINGHYHJFWLVAA-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO Cc1nccn1-c1c(F)cc(C[NH3+])cc1F ZINC000062719557 180227487 /nfs/dbraw/zinc/22/74/87/180227487.db2.gz WIJWIWZKLLGLCJ-UHFFFAOYSA-N 1 0 223.226 1.918 10 0 BDAERO Cc1nc(C[NH3+])cc(-c2cccnc2)n1 ZINC000074213772 350238349 /nfs/dbraw/zinc/23/83/49/350238349.db2.gz VLSYFFBIAWSCMM-UHFFFAOYSA-N 1 0 200.245 1.306 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000083530613 350238772 /nfs/dbraw/zinc/23/87/72/350238772.db2.gz WEAYLDHRYCUIFJ-OLZOCXBDSA-N 1 0 227.348 1.792 10 0 BDAERO Cc1nccn1[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348733 180272569 /nfs/dbraw/zinc/27/25/69/180272569.db2.gz CXZBRRLHPOKYMP-BXKDBHETSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1nccn1C[C@@H]([NH3+])c1cccc(O)c1 ZINC000011848613 180265386 /nfs/dbraw/zinc/26/53/86/180265386.db2.gz YUMVOKUAFBQYPR-GFCCVEGCSA-N 1 0 217.272 1.597 10 0 BDAERO CCc1nsc(N[C@@H]2CCC[N@@H+](CC)C2)n1 ZINC000083653966 350273560 /nfs/dbraw/zinc/27/35/60/350273560.db2.gz IGCXQHFZDBQIPI-SECBINFHSA-N 1 0 240.376 1.997 10 0 BDAERO Cc1nccn1C[C@H]([NH3+])c1ccccc1 ZINC000038827577 180269244 /nfs/dbraw/zinc/26/92/44/180269244.db2.gz GGLKIQQHALXVBY-LBPRGKRZSA-N 1 0 201.273 1.892 10 0 BDAERO Cc1ncn([C@@H](C[NH3+])c2cccnc2)c1C ZINC000051925640 180288636 /nfs/dbraw/zinc/28/86/36/180288636.db2.gz GNOZSDJBFHYNER-LBPRGKRZSA-N 1 0 216.288 1.443 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1CCCO[C@H](C)C1 ZINC000251853391 362953436 /nfs/dbraw/zinc/95/34/36/362953436.db2.gz RSLKXKMPYLYTMX-RKDXNWHRSA-N 1 0 216.350 1.162 10 0 BDAERO Cc1ncn([C@@H](c2ccncc2)[C@@H](C)[NH3+])c1C ZINC000051925703 180289882 /nfs/dbraw/zinc/28/98/82/180289882.db2.gz QZQPXOQPNRXQNF-NOZJJQNGSA-N 1 0 230.315 1.832 10 0 BDAERO Cc1nccnc1OC[C@@H]1CCCC[NH2+]1 ZINC000095069458 180280695 /nfs/dbraw/zinc/28/06/95/180280695.db2.gz OAOPJSPYHFGDTD-JTQLQIEISA-N 1 0 207.277 1.306 10 0 BDAERO [NH3+]CC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000037813556 350289885 /nfs/dbraw/zinc/28/98/85/350289885.db2.gz PANOUFQQKHMJNJ-SECBINFHSA-N 1 0 210.302 1.370 10 0 BDAERO Cc1ncsc1-c1nc([C@H](C)C[NH3+])no1 ZINC000054158628 180302544 /nfs/dbraw/zinc/30/25/44/180302544.db2.gz KYQGNBAHNQSAIL-RXMQYKEDSA-N 1 0 224.289 1.564 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2cc(C)nc(C)n2)C1 ZINC000040503112 350369846 /nfs/dbraw/zinc/36/98/46/350369846.db2.gz ILYPXIYUCNVENX-GFCCVEGCSA-N 1 0 234.347 1.990 10 0 BDAERO Cc1nn(-c2cc[nH+]cc2N)c(C)c1C ZINC000040728531 180330213 /nfs/dbraw/zinc/33/02/13/180330213.db2.gz JKLWKWXXZQAAJG-UHFFFAOYSA-N 1 0 202.261 1.775 10 0 BDAERO Cc1nn(-c2ncccc2C[NH3+])c(C)c1C ZINC000040728655 180332212 /nfs/dbraw/zinc/33/22/12/180332212.db2.gz ZLNYZAHVMXAOKU-UHFFFAOYSA-N 1 0 216.288 1.651 10 0 BDAERO Cc1nn(C)c(N(C)Cc2ccoc2)c1CC[NH3+] ZINC000104263656 180353158 /nfs/dbraw/zinc/35/31/58/180353158.db2.gz KAICMASIIOBTKS-UHFFFAOYSA-N 1 0 248.330 1.459 10 0 BDAERO Cc1nn(C)c2ncc(N[C@@H]3CC[N@H+](C)C3)cc12 ZINC000061986956 180364670 /nfs/dbraw/zinc/36/46/70/180364670.db2.gz FXDIDDHQCZCMKM-SNVBAGLBSA-N 1 0 245.330 1.393 10 0 BDAERO COc1ccc(C[NH2+]C[C@H](O)CCl)cc1 ZINC000034161163 350464957 /nfs/dbraw/zinc/46/49/57/350464957.db2.gz HNJOCEAUEPLIAL-SNVBAGLBSA-N 1 0 229.707 1.385 10 0 BDAERO C[NH2+]CCc1cn(CCF)nc1C(F)(F)F ZINC000409441490 350482145 /nfs/dbraw/zinc/48/21/45/350482145.db2.gz YNDOXRRKPZUPFU-UHFFFAOYSA-N 1 0 239.216 1.633 10 0 BDAERO Cc1cnc(-c2cc(C[NH3+])nc(C)n2)cn1 ZINC000409440630 350482460 /nfs/dbraw/zinc/48/24/60/350482460.db2.gz YBRIQGTXJVNYHK-UHFFFAOYSA-N 1 0 215.260 1.009 10 0 BDAERO c1cn(C2CC[NH2+]CC2)nc1-c1ccncc1 ZINC000409440597 350482594 /nfs/dbraw/zinc/48/25/94/350482594.db2.gz NLKIUPDHDHDNIM-UHFFFAOYSA-N 1 0 228.299 1.870 10 0 BDAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1O ZINC000129885541 180382445 /nfs/dbraw/zinc/38/24/45/180382445.db2.gz SHCUNGXMHDGAIF-AXTRIDKLSA-N 1 0 223.320 1.293 10 0 BDAERO Cc1nn(C[C@@H]2CCCO2)c(C)c1[C@@H](C)[NH3+] ZINC000054716435 180391220 /nfs/dbraw/zinc/39/12/20/180391220.db2.gz JZMIKRBVBOGNNH-KCJUWKMLSA-N 1 0 223.320 1.699 10 0 BDAERO Cc1nn(Cc2cc(C[NH3+])no2)c(C)c1Cl ZINC000052573910 180391461 /nfs/dbraw/zinc/39/14/61/180391461.db2.gz JIFVXDBGEKXFAS-UHFFFAOYSA-N 1 0 240.694 1.648 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[C@@H]2C)C1 ZINC000247396318 538094083 /nfs/dbraw/zinc/09/40/83/538094083.db2.gz QSWRFICFJWZALW-QCNOEVLYSA-N 1 0 224.348 1.487 10 0 BDAERO Cc1nn(CC2CCOCC2)c(C)c1C[NH3+] ZINC000052174712 180385968 /nfs/dbraw/zinc/38/59/68/180385968.db2.gz BWBCYFGFCBRBLZ-UHFFFAOYSA-N 1 0 223.320 1.385 10 0 BDAERO Cc1nn(CCC[NH+]2CCCC2)c(C)c1C=O ZINC000049333967 180387605 /nfs/dbraw/zinc/38/76/05/180387605.db2.gz GMOUJWKORYBSHS-UHFFFAOYSA-N 1 0 235.331 1.798 10 0 BDAERO Cc1nn(C[C@@H]2CCOC2)c(C)c1[C@H](C)[NH3+] ZINC000054716543 180390804 /nfs/dbraw/zinc/39/08/04/180390804.db2.gz POGDWTQGABNQME-KWQFWETISA-N 1 0 223.320 1.556 10 0 BDAERO NC(=[NH2+])c1ccc(N)cc1Br ZINC000228244406 350534639 /nfs/dbraw/zinc/53/46/39/350534639.db2.gz IUWWQJRDFMCWHP-UHFFFAOYSA-N 1 0 214.066 1.315 10 0 BDAERO Cc1nnc(C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261508970 180398839 /nfs/dbraw/zinc/39/88/39/180398839.db2.gz YSBNHAFIMYJNBR-JGPRNRPPSA-N 1 0 206.293 1.350 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000163428088 350522357 /nfs/dbraw/zinc/52/23/57/350522357.db2.gz ROTIZWASJBBTKX-HNNXBMFYSA-N 1 0 249.354 1.916 10 0 BDAERO C[C@@H]([NH3+])CCNc1nc2ccccc2[nH]1 ZINC000063171565 350574603 /nfs/dbraw/zinc/57/46/03/350574603.db2.gz OLLSBEZDAABMFQ-MRVPVSSYSA-N 1 0 204.277 1.712 10 0 BDAERO C[C@@H]([NH3+])CCc1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266340 538096504 /nfs/dbraw/zinc/09/65/04/538096504.db2.gz KVYLXOZXBDKMMB-SSDOTTSWSA-N 1 0 240.307 1.040 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2conn2)CC1 ZINC000616593965 350583492 /nfs/dbraw/zinc/58/34/92/350583492.db2.gz NHRATPJWSJDIIV-SNVBAGLBSA-N 1 0 211.265 1.241 10 0 BDAERO CC(C)OCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384898059 350624513 /nfs/dbraw/zinc/62/45/13/350624513.db2.gz MYLVSRLSEPKZBZ-WDEREUQCSA-N 1 0 201.310 1.257 10 0 BDAERO [NH3+]CCN1CCO[C@@H](c2ccccc2F)CC1 ZINC000616595470 350608525 /nfs/dbraw/zinc/60/85/25/350608525.db2.gz MPIIAXALAQYCMB-CYBMUJFWSA-N 1 0 238.306 1.548 10 0 BDAERO CC(C)(C)OC(=O)[C@@]1(O)CCC(C)(C)C[C@H]1[NH3+] ZINC000725267243 538097637 /nfs/dbraw/zinc/09/76/37/538097637.db2.gz POCSOBFYZKHPLQ-NOZJJQNGSA-N 1 0 243.347 1.597 10 0 BDAERO CC[N@@H+]1CCOCC[C@@H]1c1ccncn1 ZINC000616597504 350651655 /nfs/dbraw/zinc/65/16/55/350651655.db2.gz AEEDNDHUPOPZQG-LLVKDONJSA-N 1 0 207.277 1.260 10 0 BDAERO CC(C)(C)[NH2+]CC[C@@H](CO)[C@H]1COC(C)(C)O1 ZINC000725267336 538098161 /nfs/dbraw/zinc/09/81/61/538098161.db2.gz ZKHAGRDYXVZNJZ-WDEREUQCSA-N 1 0 245.363 1.525 10 0 BDAERO CC[N@@H+]1CCOCC[C@@H]1c1cccnc1N ZINC000616597583 350652653 /nfs/dbraw/zinc/65/26/53/350652653.db2.gz CGRJWBVZAVPKGT-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO Cc1noc(C)c1CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000092330425 180472058 /nfs/dbraw/zinc/47/20/58/180472058.db2.gz UUSGCOZMHHHQRG-MWLCHTKSSA-N 1 0 237.303 1.035 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccnnc1 ZINC000616598201 350657552 /nfs/dbraw/zinc/65/75/52/350657552.db2.gz MRKKJIJHWDXBSN-LBPRGKRZSA-N 1 0 221.304 1.648 10 0 BDAERO CC(C)[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000251925935 535149272 /nfs/dbraw/zinc/14/92/72/535149272.db2.gz YHYMJLLGGBUYKK-YNEHKIRRSA-N 1 0 226.364 1.172 10 0 BDAERO CC(C)(C)[NH2+]CC[C@@H](CO)[C@@H]1COC(C)(C)O1 ZINC000725267335 538098378 /nfs/dbraw/zinc/09/83/78/538098378.db2.gz ZKHAGRDYXVZNJZ-QWRGUYRKSA-N 1 0 245.363 1.525 10 0 BDAERO Cc1noc(COC[C@H]2CCCC[NH2+]2)n1 ZINC000051815675 180490899 /nfs/dbraw/zinc/49/08/99/180490899.db2.gz LTDLDHIKCLWTPG-SECBINFHSA-N 1 0 211.265 1.037 10 0 BDAERO C[NH2+]C[C@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC000309508675 350679680 /nfs/dbraw/zinc/67/96/80/350679680.db2.gz OGMQORRALZOQAI-HSOILSAZSA-N 1 0 210.321 1.100 10 0 BDAERO [NH3+]C[C@H](c1ccoc1)N1CCSCC1 ZINC000063047638 350813793 /nfs/dbraw/zinc/81/37/93/350813793.db2.gz DGOCDLYQNXXXLO-SNVBAGLBSA-N 1 0 212.318 1.328 10 0 BDAERO C[C@@H](C[NH3+])[C@@H](O)c1coc(Br)c1 ZINC000306673200 350817748 /nfs/dbraw/zinc/81/77/48/350817748.db2.gz MXJKXUCKQOUOTO-YLWLKBPMSA-N 1 0 234.093 1.670 10 0 BDAERO CNc1ccc([C@H]2COCCCN2CC[NH3+])cc1 ZINC000616600021 350778758 /nfs/dbraw/zinc/77/87/58/350778758.db2.gz XFGJFMURJNYVSY-CQSZACIVSA-N 1 0 249.358 1.450 10 0 BDAERO CN1CCOC[C@H]1c1ccccc1CCO ZINC000616600290 350779624 /nfs/dbraw/zinc/77/96/24/350779624.db2.gz DMTMEKZXKDEFGB-ZDUSSCGKSA-N 1 0 221.300 1.225 10 0 BDAERO Nc1cccc([C@H]2COCCC[N@@H+]2CCO)c1 ZINC000616600050 350779812 /nfs/dbraw/zinc/77/98/12/350779812.db2.gz ZHGAMMIWRBQRMW-CYBMUJFWSA-N 1 0 236.315 1.025 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2cccnn2)CC1 ZINC000616600772 350780490 /nfs/dbraw/zinc/78/04/90/350780490.db2.gz HSVUHGIFWVCHAY-LLVKDONJSA-N 1 0 220.320 1.005 10 0 BDAERO CN1CC[NH2+][C@H](c2cncc3ccccc32)C1 ZINC000616600936 350781274 /nfs/dbraw/zinc/78/12/74/350781274.db2.gz DKSNIJKMGQNOIX-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO C[N@@H+]1CCCC[C@H](c2cccc(C(N)=O)c2)C1 ZINC000616603100 350788993 /nfs/dbraw/zinc/78/89/93/350788993.db2.gz SIXDFEQWAWGVDT-ZDUSSCGKSA-N 1 0 232.327 1.985 10 0 BDAERO Nc1cccc([C@H]2CCCN(CC[NH3+])CC2)n1 ZINC000616602151 350790604 /nfs/dbraw/zinc/79/06/04/350790604.db2.gz XUKPLVZGGIIEDA-NSHDSACASA-N 1 0 234.347 1.192 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ccncn2)CC1 ZINC000616602480 350792077 /nfs/dbraw/zinc/79/20/77/350792077.db2.gz XXMNCDPSIFUYHX-LLVKDONJSA-N 1 0 221.304 1.038 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1cccc2nnccc21 ZINC000616604754 350793237 /nfs/dbraw/zinc/79/32/37/350793237.db2.gz NDDAFHOSEIVUES-ZDUSSCGKSA-N 1 0 228.299 1.206 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@H](c2nnc[nH]2)C1 ZINC000616603869 350795853 /nfs/dbraw/zinc/79/58/53/350795853.db2.gz JBMHSUGDUZMBRF-JTQLQIEISA-N 1 0 208.309 1.783 10 0 BDAERO C[N@@H+]1CCC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616606241 350797230 /nfs/dbraw/zinc/79/72/30/350797230.db2.gz CVGXOCQJWZVLFJ-NSHDSACASA-N 1 0 204.273 1.552 10 0 BDAERO [NH3+]CCN1CCC[C@H]1c1cccc(CO)c1 ZINC000616606997 350798937 /nfs/dbraw/zinc/79/89/37/350798937.db2.gz BHQCNZCOAFUPEU-ZDUSSCGKSA-N 1 0 220.316 1.275 10 0 BDAERO OCC[N@@H+]1CCC[C@H]1c1ccccc1CO ZINC000616608197 350800355 /nfs/dbraw/zinc/80/03/55/350800355.db2.gz NQUQPOBQERCKML-ZDUSSCGKSA-N 1 0 221.300 1.308 10 0 BDAERO CNc1ccc([C@@H]2CCCN2CC[NH3+])cc1 ZINC000616608425 350804633 /nfs/dbraw/zinc/80/46/33/350804633.db2.gz UTHGIIDSTMUVQS-ZDUSSCGKSA-N 1 0 219.332 1.824 10 0 BDAERO C[N@@H+]1CC[C@H](c2ccccc2C(N)=O)C1 ZINC000616610306 350808394 /nfs/dbraw/zinc/80/83/94/350808394.db2.gz NBHMUCZRKYRURQ-VIFPVBQESA-N 1 0 204.273 1.205 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Cc1ccoc1 ZINC000306681696 350837995 /nfs/dbraw/zinc/83/79/95/350837995.db2.gz OWYPTPIAKZVULI-KOLCDFICSA-N 1 0 207.273 1.779 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Cc1cncs1 ZINC000306683159 350839396 /nfs/dbraw/zinc/83/93/96/350839396.db2.gz UTZABGGHWVMGPB-SCZZXKLOSA-N 1 0 224.329 1.643 10 0 BDAERO [NH3+]CCN1CCCC[C@@H]1c1cccc(CCO)c1 ZINC000616615393 350846867 /nfs/dbraw/zinc/84/68/67/350846867.db2.gz XTKBBDRQQHMSLD-OAHLLOKOSA-N 1 0 248.370 1.707 10 0 BDAERO C[C@@H]1[NH2+]CCN([C@H]2CCSC2)[C@H]1C ZINC000306698641 350847718 /nfs/dbraw/zinc/84/77/18/350847718.db2.gz HRDYNHLYDGNTON-GUBZILKMSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@@H]1CC[C@@]1(C[NH3+])N1CCSCC1 ZINC000306704352 350852095 /nfs/dbraw/zinc/85/20/95/350852095.db2.gz DVCIGJOCNLQLNT-ZJUUUORDSA-N 1 0 200.351 1.163 10 0 BDAERO NC(=[NH2+])c1cc(F)c(N)cc1Br ZINC000306707441 350854224 /nfs/dbraw/zinc/85/42/24/350854224.db2.gz MJJSRXWQCXYCMZ-UHFFFAOYSA-N 1 0 232.056 1.454 10 0 BDAERO Nc1ccc([C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616616852 350857243 /nfs/dbraw/zinc/85/72/43/350857243.db2.gz YPZBBPQWPBLFFJ-ZDUSSCGKSA-N 1 0 220.316 1.788 10 0 BDAERO COC1(C[NH2+]CC2CC(O)C2)CCCCC1 ZINC000319013884 350867050 /nfs/dbraw/zinc/86/70/50/350867050.db2.gz GMUURVRYHUPZFR-UHFFFAOYSA-N 1 0 227.348 1.696 10 0 BDAERO C[C@H]1SCCN(C2=[NH+]CCN2C)[C@H]1C ZINC000306729286 350897978 /nfs/dbraw/zinc/89/79/78/350897978.db2.gz OOXGQMFJAQLJQX-DTWKUNHWSA-N 1 0 213.350 1.114 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+]CCC[S@](=O)[C@H]2C1 ZINC000251689866 350900622 /nfs/dbraw/zinc/90/06/22/350900622.db2.gz HDEHWUSXZBDONW-QYTUQVAYSA-N 1 0 201.335 1.286 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+]CCC[S@@](=O)[C@H]2C1 ZINC000251689862 350901193 /nfs/dbraw/zinc/90/11/93/350901193.db2.gz HDEHWUSXZBDONW-KEPMVKOISA-N 1 0 201.335 1.286 10 0 BDAERO C/C(=C\Cl)CN1CCC[C@@H]([NH3+])[C@H]1C ZINC000306735378 350906216 /nfs/dbraw/zinc/90/62/16/350906216.db2.gz PFDXUTDXUYUUPD-IZRRHEBBSA-N 1 0 202.729 1.941 10 0 BDAERO C[C@H]([NH3+])[C@]1(CCO)C[C@@H](C)O[C@@H](C)C1 ZINC000252213589 350910486 /nfs/dbraw/zinc/91/04/86/350910486.db2.gz YSJNLDLFGZHVFT-VLEAKVRGSA-N 1 0 201.310 1.290 10 0 BDAERO COC[C@H]([NH3+])[C@@H]1SCCS[C@H]1C ZINC000252722226 350915019 /nfs/dbraw/zinc/91/50/19/350915019.db2.gz PYWNQNQTFZFNFA-BIIVOSGPSA-N 1 0 207.364 1.197 10 0 BDAERO OC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252811183 350915592 /nfs/dbraw/zinc/91/55/92/350915592.db2.gz GNWADYNRIUYLHK-GARJFASQSA-N 1 0 215.362 1.633 10 0 BDAERO CNc1ccc([C@@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616620139 350933333 /nfs/dbraw/zinc/93/33/33/350933333.db2.gz FZSXDDBAPKNDMS-CYBMUJFWSA-N 1 0 233.359 1.866 10 0 BDAERO OCCc1ccccc1[C@H]1CCC[N@@H+](CCO)C1 ZINC000616617694 350872055 /nfs/dbraw/zinc/87/20/55/350872055.db2.gz DVLTVVPEAPNFOZ-AWEZNQCLSA-N 1 0 249.354 1.393 10 0 BDAERO CN(Cc1ccccc1)[C@H]1COCC[C@H]1[NH3+] ZINC000250253920 350878330 /nfs/dbraw/zinc/87/83/30/350878330.db2.gz XNLUAOBZKGUMSD-OLZOCXBDSA-N 1 0 220.316 1.235 10 0 BDAERO OCC[N@@H+]1CCC[C@H](c2cccc(F)c2)C1 ZINC000616618252 350885242 /nfs/dbraw/zinc/88/52/42/350885242.db2.gz UGJVENLCDDLUQC-LBPRGKRZSA-N 1 0 223.291 1.997 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@H]1Cc1csc(Cl)c1 ZINC000306722993 350891140 /nfs/dbraw/zinc/89/11/40/350891140.db2.gz GFONSZRWGUGXDX-RKDXNWHRSA-N 1 0 231.748 1.914 10 0 BDAERO COC[C@H](C)[NH2+][C@H](C)c1ccc(C(=O)OC)o1 ZINC000222441410 350960393 /nfs/dbraw/zinc/96/03/93/350960393.db2.gz WNDPHGINCHDYTC-DTWKUNHWSA-N 1 0 241.287 1.752 10 0 BDAERO O=C1CCCC[C@@H]1[N@@H+]1CC[C@H](CCO)C1 ZINC000159720510 350979510 /nfs/dbraw/zinc/97/95/10/350979510.db2.gz MVQSSBXDHFHXGQ-MNOVXSKESA-N 1 0 211.305 1.202 10 0 BDAERO Cc1occc1CN(C)C[C@@H]1CCC[NH2+]1 ZINC000042449996 180541152 /nfs/dbraw/zinc/54/11/52/180541152.db2.gz SSMQBGNZLVBVDT-LBPRGKRZSA-N 1 0 208.305 1.772 10 0 BDAERO Cc1ncc(C[NH3+])n1Cc1cncs1 ZINC000159783610 351001802 /nfs/dbraw/zinc/00/18/02/351001802.db2.gz WTDHUPQWNKOMTJ-UHFFFAOYSA-N 1 0 208.290 1.155 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C(C)C)C1 ZINC000052498026 351005171 /nfs/dbraw/zinc/00/51/71/351005171.db2.gz BVIUPQTZXWSBFH-RYUDHWBXSA-N 1 0 241.379 1.814 10 0 BDAERO CC[C@H](C)[C@@H]1C[S@](=O)C[C@@H](C)C[NH2+]1 ZINC000251938514 362990388 /nfs/dbraw/zinc/99/03/88/362990388.db2.gz SFNRVRMUYCPANI-AVWBDOJWSA-N 1 0 203.351 1.389 10 0 BDAERO Nc1ncc([C@@](F)(C[NH3+])C2CC2)s1 ZINC000159900914 351018783 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/nfs/dbraw/zinc/05/89/06/351058906.db2.gz CIUNGMAYLPJXBZ-IJLUTSLNSA-N 1 0 229.389 1.975 10 0 BDAERO CC(C)N1CC([NH2+][C@@H]2CCS[C@H]2C)C1 ZINC000306806791 351059781 /nfs/dbraw/zinc/05/97/81/351059781.db2.gz KYOKNTZSPRYCGW-GXSJLCMTSA-N 1 0 214.378 1.563 10 0 BDAERO Cc1cc(CC(=O)[C@@H]2COC[C@H]2[NH3+])cs1 ZINC000306808333 351061361 /nfs/dbraw/zinc/06/13/61/351061361.db2.gz OSRUGCVMKUQXGM-NXEZZACHSA-N 1 0 225.313 1.142 10 0 BDAERO Nc1cccc([C@@H]2CCCCN(CC[NH3+])C2)c1 ZINC000616631203 351105513 /nfs/dbraw/zinc/10/55/13/351105513.db2.gz YZPIKVVJYCTORJ-CYBMUJFWSA-N 1 0 233.359 1.797 10 0 BDAERO CC(C)[N@@H+]1CCN[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616632044 351110099 /nfs/dbraw/zinc/11/00/99/351110099.db2.gz KRKFFOSKTHXYGX-CYBMUJFWSA-N 1 0 247.342 1.140 10 0 BDAERO CC(C)[N@@H+]1CCN[C@H](c2cccc(CCO)c2)C1 ZINC000616632588 351112713 /nfs/dbraw/zinc/11/27/13/351112713.db2.gz MTYMRQLYLLGEOO-HNNXBMFYSA-N 1 0 248.370 1.576 10 0 BDAERO CCN1CC[NH2+][C@H](c2cccc(N)c2)C1 ZINC000616632478 351112804 /nfs/dbraw/zinc/11/28/04/351112804.db2.gz JNQDLUCIBMYNKN-LBPRGKRZSA-N 1 0 205.305 1.235 10 0 BDAERO CNc1ccc([C@H]2CN(C)CC[NH2+]2)cc1 ZINC000616632548 351112889 /nfs/dbraw/zinc/11/28/89/351112889.db2.gz TUTQVCQAIPPXFZ-GFCCVEGCSA-N 1 0 205.305 1.304 10 0 BDAERO CNc1ccc([C@@H]2CN(C)CC[NH2+]2)cc1 ZINC000616632970 351113538 /nfs/dbraw/zinc/11/35/38/351113538.db2.gz TUTQVCQAIPPXFZ-LBPRGKRZSA-N 1 0 205.305 1.304 10 0 BDAERO c1nnoc1[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616632837 351113760 /nfs/dbraw/zinc/11/37/60/351113760.db2.gz XGNLLWPVDKMNJH-LBPRGKRZSA-N 1 0 244.298 1.216 10 0 BDAERO c1nc([C@H]2C[N@H+](Cc3ccccc3)CCN2)c[nH]1 ZINC000616633265 351114515 /nfs/dbraw/zinc/11/45/15/351114515.db2.gz OBUFAJDDUGDTEA-CQSZACIVSA-N 1 0 242.326 1.556 10 0 BDAERO [NH3+]CCN1CCCCC[C@@H]1c1ccncc1 ZINC000616623177 351088443 /nfs/dbraw/zinc/08/84/43/351088443.db2.gz CBCZXRGSORLQCU-CYBMUJFWSA-N 1 0 219.332 1.957 10 0 BDAERO OCC[N@@H+]1CCCCC[C@@H]1c1cccnc1 ZINC000616624529 351091844 /nfs/dbraw/zinc/09/18/44/351091844.db2.gz QKWHTPYTRKHLQD-CYBMUJFWSA-N 1 0 220.316 1.991 10 0 BDAERO [NH3+]CCN1CCCCC[C@@H]1c1ncco1 ZINC000616625346 351093985 /nfs/dbraw/zinc/09/39/85/351093985.db2.gz ZKVOTPKMMATRQX-SNVBAGLBSA-N 1 0 209.293 1.550 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2cccnc2)CC1 ZINC000616627553 351095740 /nfs/dbraw/zinc/09/57/40/351095740.db2.gz HIXCJVNYIPLLQG-LBPRGKRZSA-N 1 0 219.332 1.610 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2cccnc2)C1 ZINC000616627549 351095871 /nfs/dbraw/zinc/09/58/71/351095871.db2.gz KKKXNHKBCYNCRU-ZDUSSCGKSA-N 1 0 219.332 1.610 10 0 BDAERO [NH3+]CCN1CCCC[C@@H](C(F)(F)F)C1 ZINC000616628263 351097962 /nfs/dbraw/zinc/09/79/62/351097962.db2.gz IMLBJICTKZSMSH-MRVPVSSYSA-N 1 0 210.243 1.610 10 0 BDAERO C[C@H]1[NH2+]CC[C@H]1c1c(Br)cnn1C ZINC000306831022 351145179 /nfs/dbraw/zinc/14/51/79/351145179.db2.gz JVFUAGQXYQKQSR-RNFRBKRXSA-N 1 0 244.136 1.648 10 0 BDAERO C[C@H]1[NH2+]CC[C@@H]1c1c(Br)cnn1C ZINC000306831023 351145415 /nfs/dbraw/zinc/14/54/15/351145415.db2.gz JVFUAGQXYQKQSR-RQJHMYQMSA-N 1 0 244.136 1.648 10 0 BDAERO Cn1ncc(Br)c1[C@H]1C[C@H]1C[NH3+] ZINC000306836871 351147752 /nfs/dbraw/zinc/14/77/52/351147752.db2.gz UPGSYIQHPHHPSZ-WDSKDSINSA-N 1 0 230.109 1.245 10 0 BDAERO CCOC(=O)c1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000616642557 351153316 /nfs/dbraw/zinc/15/33/16/351153316.db2.gz AHSSKKQAJXVKKW-LBPRGKRZSA-N 1 0 235.283 1.524 10 0 BDAERO c1cc2ccc([C@@H]3C[NH2+]CCO3)cc2nn1 ZINC000616642617 351153589 /nfs/dbraw/zinc/15/35/89/351153589.db2.gz BQCLRUDGOKZSKG-LBPRGKRZSA-N 1 0 215.256 1.291 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cn[nH]c1 ZINC000616644381 351163358 /nfs/dbraw/zinc/16/33/58/351163358.db2.gz CHRSXPVBPPJFCX-NSHDSACASA-N 1 0 209.293 1.582 10 0 BDAERO c1ccc2nnc([C@@H]3COCCC[NH2+]3)cc2c1 ZINC000616645946 351169467 /nfs/dbraw/zinc/16/94/67/351169467.db2.gz CSRDXHFDRBRXOZ-ZDUSSCGKSA-N 1 0 229.283 1.681 10 0 BDAERO CC[N@@H+]1CCCO[C@H](c2cccnc2N)C1 ZINC000616650112 351173052 /nfs/dbraw/zinc/17/30/52/351173052.db2.gz TZBZCYPCETWYKZ-NSHDSACASA-N 1 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CN(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CCCO1 ZINC000616651733 351189215 /nfs/dbraw/zinc/18/92/15/351189215.db2.gz FOFPFDLJXSICIC-VIFPVBQESA-N 1 0 230.308 1.189 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccncn2)C1 ZINC000616653915 351194866 /nfs/dbraw/zinc/19/48/66/351194866.db2.gz ZAMZYFJMBLNNEW-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO Nc1cccc([C@@H]2CCCC[N@H+](CCO)C2)n1 ZINC000616652102 351189733 /nfs/dbraw/zinc/18/97/33/351189733.db2.gz DLWCTKJVLDCAEQ-LLVKDONJSA-N 1 0 235.331 1.226 10 0 BDAERO C[C@H]1CSC[C@H]1[N@@H+]1CCNCC1(C)C ZINC000306821280 351127247 /nfs/dbraw/zinc/12/72/47/351127247.db2.gz KIZXJFVDRMNJRI-VHSXEESVSA-N 1 0 214.378 1.422 10 0 BDAERO CCOC(=O)c1ccccc1[C@@H]1C[NH2+]CCCO1 ZINC000616652399 351190912 /nfs/dbraw/zinc/19/09/12/351190912.db2.gz MBIOVAQFDRUCLA-ZDUSSCGKSA-N 1 0 249.310 1.914 10 0 BDAERO c1n[nH]cc1[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616637086 351129851 /nfs/dbraw/zinc/12/98/51/351129851.db2.gz RYSAWZFTXOLPFA-CQSZACIVSA-N 1 0 242.326 1.556 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccno2)C1 ZINC000616652270 351190950 /nfs/dbraw/zinc/19/09/50/351190950.db2.gz FZBMDODJFIIQHK-LLVKDONJSA-N 1 0 210.277 1.846 10 0 BDAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616637411 351132914 /nfs/dbraw/zinc/13/29/14/351132914.db2.gz MDHDMTPEHKCXNQ-CYBMUJFWSA-N 1 0 247.342 1.140 10 0 BDAERO C[C@@]1(CNC(=O)C(F)(F)F)CCC[NH2+]C1 ZINC000159955321 351135108 /nfs/dbraw/zinc/13/51/08/351135108.db2.gz LJCXGOBMADSXKO-MRVPVSSYSA-N 1 0 224.226 1.055 10 0 BDAERO CO[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616676632 351241746 /nfs/dbraw/zinc/24/17/46/351241746.db2.gz YUHOVERESQKTML-GFCCVEGCSA-N 1 0 206.289 1.543 10 0 BDAERO CCN1CCO[C@@H](c2cccc(CCO)c2)C1 ZINC000616677684 351244320 /nfs/dbraw/zinc/24/43/20/351244320.db2.gz PYIGGRILZGKDSY-CQSZACIVSA-N 1 0 235.327 1.615 10 0 BDAERO Cc1ncc(C(=O)[C@](C)([NH3+])C2CC2)n1C ZINC000306868913 351256622 /nfs/dbraw/zinc/25/66/22/351256622.db2.gz RDBPJGOQKUAECK-LLVKDONJSA-N 1 0 207.277 1.039 10 0 BDAERO C[N@@H+]1CCO[C@H](c2ccc(N)cc2)CC1 ZINC000616686437 351256635 /nfs/dbraw/zinc/25/66/35/351256635.db2.gz KMZRYFNVHFOOEX-LBPRGKRZSA-N 1 0 206.289 1.662 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](n2ccnc2)CC1 ZINC000616687341 351258277 /nfs/dbraw/zinc/25/82/77/351258277.db2.gz VQNHZNHIOVZJAP-NSHDSACASA-N 1 0 209.293 1.512 10 0 BDAERO C[N@@H+]1CCO[C@H](c2ccccc2N)CC1 ZINC000616687342 351258706 /nfs/dbraw/zinc/25/87/06/351258706.db2.gz VSCLXLOYKJSJJG-LBPRGKRZSA-N 1 0 206.289 1.662 10 0 BDAERO c1cc2ccnnc2c([C@H]2CCOCC[NH2+]2)c1 ZINC000616657607 351198957 /nfs/dbraw/zinc/19/89/57/351198957.db2.gz FRMYQRVNZMPNRR-GFCCVEGCSA-N 1 0 229.283 1.681 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](OC(F)(F)F)C1 ZINC000616660457 351203281 /nfs/dbraw/zinc/20/32/81/351203281.db2.gz NCVDLHMEAJSLRJ-MRVPVSSYSA-N 1 0 227.226 1.632 10 0 BDAERO CNc1ccccc1[C@H]1COCC[N@H+](C)C1 ZINC000616659247 351205997 /nfs/dbraw/zinc/20/59/97/351205997.db2.gz OSWAGHRVSGQCQU-LLVKDONJSA-N 1 0 220.316 1.774 10 0 BDAERO CCOC(=O)c1ccccc1[C@H]1CCOCC[NH2+]1 ZINC000616659532 351207032 /nfs/dbraw/zinc/20/70/32/351207032.db2.gz MQQXFOGRXYWZMG-CYBMUJFWSA-N 1 0 249.310 1.914 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](n2cccn2)C1 ZINC000616660051 351209030 /nfs/dbraw/zinc/20/90/30/351209030.db2.gz KFGKHNWAAJQOLK-NSHDSACASA-N 1 0 223.320 1.555 10 0 BDAERO C[N@@H+]1CCOC[C@@H](c2ccccc2N)C1 ZINC000616661328 351209977 /nfs/dbraw/zinc/20/99/77/351209977.db2.gz QBICXDHFMBCZQX-JTQLQIEISA-N 1 0 206.289 1.314 10 0 BDAERO c1ccc2ncc([C@H]3C[NH2+]CCOC3)cc2c1 ZINC000616661637 351211007 /nfs/dbraw/zinc/21/10/07/351211007.db2.gz WOHPTIXYFDRAPV-ZDUSSCGKSA-N 1 0 228.295 1.938 10 0 BDAERO CN(C)[C@@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616661746 351212160 /nfs/dbraw/zinc/21/21/60/351212160.db2.gz XSBOTGALPGNTRC-JTQLQIEISA-N 1 0 200.326 1.047 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2ncc[nH]2)C1 ZINC000616660599 351212632 /nfs/dbraw/zinc/21/26/32/351212632.db2.gz OCZZHTPHGXYXNP-SNVBAGLBSA-N 1 0 209.293 1.234 10 0 BDAERO C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CCO1 ZINC000616664121 351215887 /nfs/dbraw/zinc/21/58/87/351215887.db2.gz OIZSFQAOWNFONY-VIFPVBQESA-N 1 0 230.308 1.189 10 0 BDAERO c1cc2ccc([C@@H]3C[NH2+]CCOC3)cc2nn1 ZINC000616664131 351216672 /nfs/dbraw/zinc/21/66/72/351216672.db2.gz VABKIABLBSWUJR-GFCCVEGCSA-N 1 0 229.283 1.333 10 0 BDAERO c1ccc2nc([C@@H]3C[NH2+]CCOC3)ccc2c1 ZINC000616662040 351217851 /nfs/dbraw/zinc/21/78/51/351217851.db2.gz FBSUYSZJSWRVTI-GFCCVEGCSA-N 1 0 228.295 1.938 10 0 BDAERO CCN1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000616668573 351227241 /nfs/dbraw/zinc/22/72/41/351227241.db2.gz CUGIKUVUDVPJTN-GFCCVEGCSA-N 1 0 204.317 1.999 10 0 BDAERO CCOC(=O)N1c2ccccc2CC[C@@H]1C[NH3+] ZINC000616668919 351228081 /nfs/dbraw/zinc/22/80/81/351228081.db2.gz ZDHIBCCNCITJGE-LLVKDONJSA-N 1 0 234.299 1.923 10 0 BDAERO Brc1cnccc1O[C@H]1CC[NH2+]C1 ZINC000159986102 351294420 /nfs/dbraw/zinc/29/44/20/351294420.db2.gz FECVUASOMYGYRS-ZETCQYMHSA-N 1 0 243.104 1.585 10 0 BDAERO [NH3+]C1CCN(c2occc2Br)CC1 ZINC000068980769 351311173 /nfs/dbraw/zinc/31/11/73/351311173.db2.gz CNQFAFAEVMARNM-UHFFFAOYSA-N 1 0 245.120 1.970 10 0 BDAERO C[C@@H]1CCN(C2(C[NH3+])CSC2)[C@@H]1C ZINC000306879497 351271473 /nfs/dbraw/zinc/27/14/73/351271473.db2.gz GKCCHKQTCALSEX-RKDXNWHRSA-N 1 0 200.351 1.161 10 0 BDAERO C[C@H]1C[NH+]=C(SC[C@@H]2CCCCO2)N1 ZINC000306881490 351279419 /nfs/dbraw/zinc/27/94/19/351279419.db2.gz LXWYHNJVKAHXMJ-IUCAKERBSA-N 1 0 214.334 1.636 10 0 BDAERO CN[C@H](C[NH3+])c1cc(F)cc(Cl)c1 ZINC000168282062 351366812 /nfs/dbraw/zinc/36/68/12/351366812.db2.gz DYMUNZZYGCMRNE-SECBINFHSA-N 1 0 202.660 1.698 10 0 BDAERO C[C@@H]1CSCCN(C[C@@H]2CC[NH2+]2)C1 ZINC000306955949 351380453 /nfs/dbraw/zinc/38/04/53/351380453.db2.gz BWJAJACEQDFYNN-UWVGGRQHSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@H]1CCN(C2CSC2)[C@H](C[NH3+])C1 ZINC000306971859 351393991 /nfs/dbraw/zinc/39/39/91/351393991.db2.gz SUTXYLLYAGZQDR-IUCAKERBSA-N 1 0 200.351 1.161 10 0 BDAERO C[C@H]1CSC(N[C@@H]2CSC2(C)C)=[NH+]1 ZINC000306985511 351401886 /nfs/dbraw/zinc/40/18/86/351401886.db2.gz WKJSBAKOGBOQBI-NKWVEPMBSA-N 1 0 216.375 1.961 10 0 BDAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)COC ZINC000034938783 351354600 /nfs/dbraw/zinc/35/46/00/351354600.db2.gz MCRYCPDROLBDSB-WDEREUQCSA-N 1 0 230.352 1.306 10 0 BDAERO O[C@@H](c1occc1Br)[C@H]1C=CC[NH2+]1 ZINC000307026653 351434376 /nfs/dbraw/zinc/43/43/76/351434376.db2.gz YPCIDDWVXRFSKY-HTQZYQBOSA-N 1 0 244.088 1.604 10 0 BDAERO Cc1csc([C@@]2([NH3+])CCOC2(C)C)n1 ZINC000307026696 351435350 /nfs/dbraw/zinc/43/53/50/351435350.db2.gz YUUQVGOVRJYJGL-JTQLQIEISA-N 1 0 212.318 1.804 10 0 BDAERO C[C@@H]1[C@H](C2CCC2)[NH2+]CCC[S@@]1=O ZINC000307039587 351437218 /nfs/dbraw/zinc/43/72/18/351437218.db2.gz IJWBZHYGESEBDU-JQEORGNBSA-N 1 0 201.335 1.286 10 0 BDAERO BrC1=CCCN(CC2C[NH2+]C2)C1 ZINC000404440057 351449754 /nfs/dbraw/zinc/44/97/54/351449754.db2.gz WWNXKMMMWRTGKR-UHFFFAOYSA-N 1 0 231.137 1.190 10 0 BDAERO CC(C)[S@@](=O)N1CCC[C@@H](C)[C@H]1[NH3+] ZINC000307060793 351458872 /nfs/dbraw/zinc/45/88/72/351458872.db2.gz DUQCSCVMMJMZTC-VYUIOLGVSA-N 1 0 204.339 1.075 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1N1CCSCC1 ZINC000307009518 351416779 /nfs/dbraw/zinc/41/67/79/351416779.db2.gz INBUYJAGTQWDOS-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]1CSC[C@]1([NH3+])c1nccs1 ZINC000307020427 351424775 /nfs/dbraw/zinc/42/47/75/351424775.db2.gz ZIWQQOQFZYQFNE-HTRCEHHLSA-N 1 0 200.332 1.680 10 0 BDAERO CC1(CN2CCC=C(Br)C2)C[NH2+]C1 ZINC000404533918 351497604 /nfs/dbraw/zinc/49/76/04/351497604.db2.gz FOUKFZXPIXDTPV-UHFFFAOYSA-N 1 0 245.164 1.580 10 0 BDAERO C[C@@H]1C[C@]2(COC(=O)N2)C[N@@H+]1Cc1ccccc1 ZINC000307145261 351497851 /nfs/dbraw/zinc/49/78/51/351497851.db2.gz MJLLKSAICHBOHA-BXUZGUMPSA-N 1 0 246.310 1.759 10 0 BDAERO C/C(=C\Cl)CN1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000232008593 351505601 /nfs/dbraw/zinc/50/56/01/351505601.db2.gz WJWQHBJCNRSDNV-VCQGXKKCSA-N 1 0 202.729 1.798 10 0 BDAERO [NH3+]C[C@@]1(C2CCOCC2)CCCS1 ZINC000307160686 351511611 /nfs/dbraw/zinc/51/16/11/351511611.db2.gz FFCHENBJAOYFFZ-SNVBAGLBSA-N 1 0 201.335 1.638 10 0 BDAERO OCC[N@H+](CC[C@H]1CO1)Cc1ccccc1 ZINC000307159426 351511809 /nfs/dbraw/zinc/51/18/09/351511809.db2.gz CGFZWVWBFLXDGF-ZDUSSCGKSA-N 1 0 221.300 1.270 10 0 BDAERO CC(=O)C(C)(C)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000307090436 351472613 /nfs/dbraw/zinc/47/26/13/351472613.db2.gz WLKISELXPMOLFD-LLVKDONJSA-N 1 0 213.321 1.448 10 0 BDAERO C[C@@H]1OCC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307109134 351480079 /nfs/dbraw/zinc/48/00/79/351480079.db2.gz KHCVOUUDMYKYCK-JQWIXIFHSA-N 1 0 233.315 1.478 10 0 BDAERO [NH3+]C1CC(Oc2ccncc2Br)C1 ZINC000159991949 351485077 /nfs/dbraw/zinc/48/50/77/351485077.db2.gz CHJUSQAVHVEQAE-UHFFFAOYSA-N 1 0 243.104 1.713 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CCSC[C@@H](C)C1 ZINC000307112555 351485593 /nfs/dbraw/zinc/48/55/93/351485593.db2.gz MCLALFMXRMELMG-YUMQZZPRSA-N 1 0 218.391 1.346 10 0 BDAERO Cn1c2ccc([C@@H]([NH3+])C(C)(C)C)cc2n(C)c1=O ZINC000051392389 180611499 /nfs/dbraw/zinc/61/14/99/180611499.db2.gz YVRLPULMHSZCJC-GFCCVEGCSA-N 1 0 247.342 1.923 10 0 BDAERO C[C@@H]1CC[C@@H](N[C@H]2CCSC2)C[NH2+]1 ZINC000307190974 351592627 /nfs/dbraw/zinc/59/26/27/351592627.db2.gz AEGZRYVVCSJTFX-BBBLOLIVSA-N 1 0 200.351 1.222 10 0 BDAERO [NH3+][C@H]1CCCN(C(=O)C2CCC=CCC2)C1 ZINC000637797009 351623936 /nfs/dbraw/zinc/62/39/36/351623936.db2.gz HFGIYJJHCPBUTB-LBPRGKRZSA-N 1 0 222.332 1.683 10 0 BDAERO CC[C@@H]1CS[C@]2(C[C@H](C)O[C@@H]2C)[NH2+]1 ZINC000307225943 351663707 /nfs/dbraw/zinc/66/37/07/351663707.db2.gz VDFIOOQNFQTAKW-JLIMGVALSA-N 1 0 201.335 1.995 10 0 BDAERO COC1([C@@H]2[NH2+]CCS2)CCCCC1 ZINC000307225747 351668373 /nfs/dbraw/zinc/66/83/73/351668373.db2.gz DPQMWPSQGHALNF-SECBINFHSA-N 1 0 201.335 1.998 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)C[C@@H](C)C(F)(F)F ZINC000637823761 351669042 /nfs/dbraw/zinc/66/90/42/351669042.db2.gz IEZQZRZYHNIXOF-RNFRBKRXSA-N 1 0 226.242 1.428 10 0 BDAERO Cc1nc(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cs1 ZINC000307244352 351750047 /nfs/dbraw/zinc/75/00/47/351750047.db2.gz LBJZOJQGEYDVOH-APPZFPTMSA-N 1 0 226.301 1.141 10 0 BDAERO C[C@H]([NH3+])[C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000307251550 351772230 /nfs/dbraw/zinc/77/22/30/351772230.db2.gz OFOKDSHRSIWMJV-UWVGGRQHSA-N 1 0 245.367 1.227 10 0 BDAERO C[C@@H](C[S@](C)=O)NC1=[NH+]C[C@@H](C)CS1 ZINC000229020452 351838535 /nfs/dbraw/zinc/83/85/35/351838535.db2.gz RYIZFHPHCKHFPA-KXEKKFMESA-N 1 0 234.390 1.082 10 0 BDAERO C[C@@H]1CC[C@]2(C[NH2+]1)N[C@@H](C)CCS2 ZINC000307263301 351808557 /nfs/dbraw/zinc/80/85/57/351808557.db2.gz UYJDRVZMZURINF-UTLUCORTSA-N 1 0 200.351 1.570 10 0 BDAERO CCC(=O)[C@H](C)[N@@H+]1CCC[C@@]12CCOC2 ZINC000307288397 351854124 /nfs/dbraw/zinc/85/41/24/351854124.db2.gz BZFARKZXOJMENJ-JQWIXIFHSA-N 1 0 211.305 1.609 10 0 BDAERO [NH3+]C[C@]1(COCc2ccccc2)CCC[C@H]1O ZINC000307281829 351844090 /nfs/dbraw/zinc/84/40/90/351844090.db2.gz HQUDTROJVXMQDZ-KGLIPLIRSA-N 1 0 235.327 1.693 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCCC[C@H]1O ZINC000307282282 351845529 /nfs/dbraw/zinc/84/55/29/351845529.db2.gz KTTJXHAKOXTEML-CHWSQXEVSA-N 1 0 247.342 1.604 10 0 BDAERO Cn1cc(C[C@H]2Cc3ccccc3[C@@H]2[NH3+])cn1 ZINC000050540769 180654670 /nfs/dbraw/zinc/65/46/70/180654670.db2.gz KXFXBAVPODNXDF-GXTWGEPZSA-N 1 0 227.311 1.835 10 0 BDAERO N[C@H](c1ccc(O)cc1)[C@@H]([NH3+])c1ccc(O)cc1 ZINC000006528011 363097339 /nfs/dbraw/zinc/09/73/39/363097339.db2.gz FQRUNJQARWTBBE-OKILXGFUSA-N 1 0 244.294 1.798 10 0 BDAERO CC[NH2+][C@@H](C)C(=O)N[C@H](C)C1CCCC1 ZINC000637991510 351866097 /nfs/dbraw/zinc/86/60/97/351866097.db2.gz QOQKUNRGILDODA-ZJUUUORDSA-N 1 0 212.337 1.679 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccns1 ZINC000637995912 351873768 /nfs/dbraw/zinc/87/37/68/351873768.db2.gz KAECSUWZDKHJGB-JTQLQIEISA-N 1 0 226.345 1.880 10 0 BDAERO C[C@@](O)(c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000307300149 351918522 /nfs/dbraw/zinc/91/85/22/351918522.db2.gz SBLCBRMAIHSVIZ-LLVKDONJSA-N 1 0 211.692 1.767 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638039228 351920252 /nfs/dbraw/zinc/92/02/52/351920252.db2.gz SHSSDCLXVLLVIE-WZRBSPASSA-N 1 0 240.347 1.047 10 0 BDAERO C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000307305189 351932420 /nfs/dbraw/zinc/93/24/20/351932420.db2.gz CPNVIZRIIHGXIR-RKDXNWHRSA-N 1 0 216.325 1.898 10 0 BDAERO Cn1cc(SC2CCC([NH3+])CC2)cn1 ZINC000055143857 180663257 /nfs/dbraw/zinc/66/32/57/180663257.db2.gz MNMODSRPMCLKMN-UHFFFAOYSA-N 1 0 211.334 1.782 10 0 BDAERO CC1(C)SC[C@H]1N1CCC[NH2+]CC1 ZINC000307317523 351991418 /nfs/dbraw/zinc/99/14/18/351991418.db2.gz OQNIXEQNFXSGAI-SECBINFHSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]1CC[NH2+][C@@]2(COCC2(C)C)S1 ZINC000307335458 352054661 /nfs/dbraw/zinc/05/46/61/352054661.db2.gz NCUCZHJKWJVXEP-SCZZXKLOSA-N 1 0 201.335 1.854 10 0 BDAERO COC1CC(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000638190607 352055768 /nfs/dbraw/zinc/05/57/68/352055768.db2.gz CRHABRDCCURKLL-MOENNCHZSA-N 1 0 240.347 1.012 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CCCC12CC2 ZINC000638164373 352032377 /nfs/dbraw/zinc/03/23/77/352032377.db2.gz HKTYKVCHUAZVNM-QWRGUYRKSA-N 1 0 222.332 1.292 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3CCC=CCC3)C[C@H]12 ZINC000638169716 352033445 /nfs/dbraw/zinc/03/34/45/352033445.db2.gz YJWQRSRGOVWZSC-HZSPNIEDSA-N 1 0 248.370 1.929 10 0 BDAERO NC(=O)c1ccccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038046016 187599603 /nfs/dbraw/zinc/59/96/03/187599603.db2.gz WDYKMKBDNZHOQH-NSHDSACASA-N 1 0 248.326 1.302 10 0 BDAERO CC(=O)Nc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038040478 187599768 /nfs/dbraw/zinc/59/97/68/187599768.db2.gz UFQCVCBOQRBDGF-UHFFFAOYSA-N 1 0 233.315 1.809 10 0 BDAERO C[C@H](CC(=O)N1CC[C@H]([NH3+])[C@H]1C)C(F)(F)F ZINC000638233334 352087563 /nfs/dbraw/zinc/08/75/63/352087563.db2.gz FPXNVWLTCRATRY-PRJMDXOYSA-N 1 0 238.253 1.523 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1CCC=CCC1 ZINC000638237956 352088832 /nfs/dbraw/zinc/08/88/32/352088832.db2.gz YUEBTRSWYKWCFI-PWSUYJOCSA-N 1 0 222.332 1.681 10 0 BDAERO CC(C)[N@H+](CC1CC1)[C@H](CN)C1CCOCC1 ZINC000052177785 187610032 /nfs/dbraw/zinc/61/00/32/187610032.db2.gz ACUUFUMOZBJQGD-CQSZACIVSA-N 1 0 240.391 1.861 10 0 BDAERO C[C@H]1CCN(C(=O)C2CCCC2)[C@@H](C[NH3+])C1 ZINC000235648397 187617503 /nfs/dbraw/zinc/61/75/03/187617503.db2.gz GRQCHPLIVLZTCT-CMPLNLGQSA-N 1 0 224.348 1.762 10 0 BDAERO CC(C)CC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269895 538102171 /nfs/dbraw/zinc/10/21/71/538102171.db2.gz RIAIYLDFTCCRDJ-LLVKDONJSA-N 1 0 240.347 1.060 10 0 BDAERO Cc1cocc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000638399313 352204063 /nfs/dbraw/zinc/20/40/63/352204063.db2.gz VULUOBKHNXRIQF-ZETCQYMHSA-N 1 0 236.193 1.207 10 0 BDAERO CC[C@@H]1CN([C@H](C)[C@H](C)[NH3+])CCCO1 ZINC000300911720 363120737 /nfs/dbraw/zinc/12/07/37/363120737.db2.gz OYFZTHZLWJZPHB-HBNTYKKESA-N 1 0 200.326 1.223 10 0 BDAERO [NH3+][C@H](CCO)c1cc2c(cc1Cl)OCO2 ZINC000044236257 352223787 /nfs/dbraw/zinc/22/37/87/352223787.db2.gz HWFDEAFLXZTRBW-MRVPVSSYSA-N 1 0 229.663 1.451 10 0 BDAERO CC(C)N(CC[NH3+])C(=O)NC(C)(C)C ZINC000041056176 187631032 /nfs/dbraw/zinc/63/10/32/187631032.db2.gz NKAASBOXAFLOOM-UHFFFAOYSA-N 1 0 201.314 1.164 10 0 BDAERO C([NH2+]C1CC1)[C@@H]1CC[C@H](CO[C@@H]2CCOC2)O1 ZINC000104106658 187644136 /nfs/dbraw/zinc/64/41/36/187644136.db2.gz SMVWWPGOCVVFFW-YNEHKIRRSA-N 1 0 241.331 1.092 10 0 BDAERO CCC[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)OCC ZINC000638457121 352267338 /nfs/dbraw/zinc/26/73/38/352267338.db2.gz JUAZAJYMRIQBJP-QJPTWQEYSA-N 1 0 242.363 1.435 10 0 BDAERO CC(C)[C@H]([NH3+])CSC1=NCCS1 ZINC000169726481 187645419 /nfs/dbraw/zinc/64/54/19/187645419.db2.gz ZGDINIGRLNEAKF-SSDOTTSWSA-N 1 0 204.364 1.806 10 0 BDAERO FC(F)Cn1cncc1[C@@H]1CCC[NH2+]1 ZINC000130524887 363163825 /nfs/dbraw/zinc/16/38/25/363163825.db2.gz ALJQXISUZBWLPV-ZETCQYMHSA-N 1 0 201.220 1.573 10 0 BDAERO C[C@H](CC[NH2+][C@H]1CCOC[C@@H]1O)c1ccccc1 ZINC000628466824 358470059 /nfs/dbraw/zinc/47/00/59/358470059.db2.gz JENOANBQSPDIBW-SNPRPXQTSA-N 1 0 249.354 1.920 10 0 BDAERO COC1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000638444777 352251487 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COc1ccc([C@@H](O)[C@H]([NH3+])C(C)C)cc1 ZINC000032012272 352734848 /nfs/dbraw/zinc/73/48/48/352734848.db2.gz NLRDJZPELZJIJK-VXGBXAGGSA-N 1 0 209.289 1.712 10 0 BDAERO Cc1cc([C@H]([NH3+])CC2OCCO2)cnc1C ZINC000307643726 352737051 /nfs/dbraw/zinc/73/70/51/352737051.db2.gz PVGVRYCCXYEEAU-LLVKDONJSA-N 1 0 222.288 1.461 10 0 BDAERO C1COC2(CC[C@H]([NH2+][C@@H]3CCCSC3)C2)O1 ZINC000307648144 352738195 /nfs/dbraw/zinc/73/81/95/352738195.db2.gz OKCDHSFOXFDQLT-WDEREUQCSA-N 1 0 243.372 1.767 10 0 BDAERO C[C@]1(C(=O)NC[C@@H]2CCCC23CC3)CCC[NH2+]1 ZINC000638796408 352877306 /nfs/dbraw/zinc/87/73/06/352877306.db2.gz TUECHFFUMZVADF-WCQYABFASA-N 1 0 236.359 1.825 10 0 BDAERO Cn1nc(CC[NH3+])nc1-c1cccs1 ZINC000082533076 180804609 /nfs/dbraw/zinc/80/46/09/180804609.db2.gz VLQHEDLAKVLIED-UHFFFAOYSA-N 1 0 208.290 1.045 10 0 BDAERO FC(F)(F)C1=NOC2(C1)CC[NH2+]CC2 ZINC000536947478 323921477 /nfs/dbraw/zinc/92/14/77/323921477.db2.gz ABVRBMZCEZOFSB-UHFFFAOYSA-N 1 0 208.183 1.447 10 0 BDAERO 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C[C@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1C[NH3+] ZINC000638887687 353049422 /nfs/dbraw/zinc/04/94/22/353049422.db2.gz MKGWXMFDKDJXCP-WCBMZHEXSA-N 1 0 249.314 1.219 10 0 BDAERO CCC[C@H](C)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638887925 353049568 /nfs/dbraw/zinc/04/95/68/353049568.db2.gz WQRWMPBRCSBIEL-DCAQKATOSA-N 1 0 212.337 1.476 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000638886010 353052738 /nfs/dbraw/zinc/05/27/38/353052738.db2.gz FESOQJMJXYSRQK-FVCCEPFGSA-N 1 0 238.375 1.866 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C[NH3+] ZINC000638896534 353057340 /nfs/dbraw/zinc/05/73/40/353057340.db2.gz ZOMCIRQWTRCSMG-DGCLKSJQSA-N 1 0 247.342 1.067 10 0 BDAERO CC(C)NC(=[NH2+])N[C@H]1CS[C@@H](C)C1 ZINC000307722517 353110987 /nfs/dbraw/zinc/11/09/87/353110987.db2.gz YOLUUSKIPKITBG-JGVFFNPUSA-N 1 0 201.339 1.403 10 0 BDAERO CNc1cc(C[NH2+]C)c(Br)cn1 ZINC000307478775 353078682 /nfs/dbraw/zinc/07/86/82/353078682.db2.gz NOGLGDAMIFEWLH-UHFFFAOYSA-N 1 0 230.109 1.605 10 0 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[NH3+]C[C@@]1([C@@H]2CCSC2)CCCOC1 ZINC000405303101 353166846 /nfs/dbraw/zinc/16/68/46/353166846.db2.gz KRHNMZCCPRUETA-ZJUUUORDSA-N 1 0 201.335 1.495 10 0 BDAERO O=C(N[C@]12C[C@H]1CCCC2)[C@@H]1CC[NH2+]C1 ZINC000638974367 353180189 /nfs/dbraw/zinc/18/01/89/353180189.db2.gz QWFDUBAYCUHNCC-CKYFFXLPSA-N 1 0 208.305 1.045 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)CC1CCC1 ZINC000638998989 353245967 /nfs/dbraw/zinc/24/59/67/353245967.db2.gz XSCMIBWWMXTRNG-KOLCDFICSA-N 1 0 212.337 1.809 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000134527916 538112920 /nfs/dbraw/zinc/11/29/20/538112920.db2.gz CGDJAIOWGNSTFT-GZMMTYOYSA-N 1 0 211.261 1.039 10 0 BDAERO C[C@@H]1C[C@H](C)[C@@H]2[C@H](C1)[NH2+]C[C@H](C)[S@]2=O ZINC000252194802 363210177 /nfs/dbraw/zinc/21/01/77/363210177.db2.gz VJOPYUXHEUIIKL-PSXVIKCASA-N 1 0 215.362 1.530 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000134527962 538113011 /nfs/dbraw/zinc/11/30/11/538113011.db2.gz CGDJAIOWGNSTFT-KWQFWETISA-N 1 0 211.261 1.039 10 0 BDAERO [NH3+][C@H]1CCN(C2CC2)[C@@H]1c1cscn1 ZINC000126935668 353261451 /nfs/dbraw/zinc/26/14/51/353261451.db2.gz DFDKHYNCLZMCBG-WPRPVWTQSA-N 1 0 209.318 1.380 10 0 BDAERO CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000196256316 188258645 /nfs/dbraw/zinc/25/86/45/188258645.db2.gz WNYDQNWUSLFCGX-VXGBXAGGSA-N 1 0 210.321 1.530 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000300991232 188253360 /nfs/dbraw/zinc/25/33/60/188253360.db2.gz UGABDSLJZUCSII-VXGBXAGGSA-N 1 0 222.332 1.696 10 0 BDAERO CC(C)(C)[C@](C)(C[NH3+])N1CCOCC1 ZINC000026510845 188254186 /nfs/dbraw/zinc/25/41/86/188254186.db2.gz BOGHRHBLJJUQPT-NSHDSACASA-N 1 0 200.326 1.082 10 0 BDAERO COc1ccc([C@H](O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000001644085 188274004 /nfs/dbraw/zinc/27/40/04/188274004.db2.gz LVNIMCPYSKQYIW-STQMWFEESA-N 1 0 221.300 1.871 10 0 BDAERO Cc1cc(N)c[nH+]c1NC[C@H]1CCCO1 ZINC000036241442 188278665 /nfs/dbraw/zinc/27/86/65/188278665.db2.gz ORMGAPSZVLVLQU-SNVBAGLBSA-N 1 0 207.277 1.563 10 0 BDAERO C[NH+](C)CCOc1ccc(CC(N)=S)cc1 ZINC000019433249 188280385 /nfs/dbraw/zinc/28/03/85/188280385.db2.gz FVKJFYKJYQLUOV-UHFFFAOYSA-N 1 0 238.356 1.456 10 0 BDAERO CC(C)C[C@H](C)N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000037499829 188280407 /nfs/dbraw/zinc/28/04/07/188280407.db2.gz COERTJKTRCYGPS-WDEREUQCSA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)[C@H](C)N(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037504718 188281075 /nfs/dbraw/zinc/28/10/75/188281075.db2.gz VQANAWLMRDRRHV-WDEREUQCSA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)(C)O[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000020510924 188282449 /nfs/dbraw/zinc/28/24/49/188282449.db2.gz BRTHSRPEJUQQQP-VHSXEESVSA-N 1 0 229.320 1.424 10 0 BDAERO O=c1oc2ccccc2c2c1C[NH2+]CC2 ZINC000039405454 188283834 /nfs/dbraw/zinc/28/38/34/188283834.db2.gz UWYCVSAHAGGILC-UHFFFAOYSA-N 1 0 201.225 1.439 10 0 BDAERO CC(C)(O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000032919264 188284249 /nfs/dbraw/zinc/28/42/49/188284249.db2.gz QDTDXVDUWXKCJR-GFCCVEGCSA-N 1 0 218.300 1.809 10 0 BDAERO CN(C)c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000035298403 188285223 /nfs/dbraw/zinc/28/52/23/188285223.db2.gz ZDKNRHWBSUGZPO-UHFFFAOYSA-N 1 0 219.332 1.552 10 0 BDAERO CC(C)[C@H]([NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC000034978283 188285329 /nfs/dbraw/zinc/28/53/29/188285329.db2.gz SZNWZUUYKDYPFS-LBPRGKRZSA-N 1 0 220.272 1.673 10 0 BDAERO C[C@H]1[NH2+]C(C)(C)CO[C@@]1(O)c1cccnc1 ZINC000070672957 188287343 /nfs/dbraw/zinc/28/73/43/188287343.db2.gz FAQPJNPOZWJWED-BXKDBHETSA-N 1 0 222.288 1.014 10 0 BDAERO Cc1ccc(OCC[C@H]([NH3+])CO)cc1C ZINC000071511951 188287358 /nfs/dbraw/zinc/28/73/58/188287358.db2.gz NMMNOXDMMYUKHU-NSHDSACASA-N 1 0 209.289 1.392 10 0 BDAERO CC(C)C[C@@H](C)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000037264804 188287519 /nfs/dbraw/zinc/28/75/19/188287519.db2.gz QEJQAHJXUYNPNV-VXGBXAGGSA-N 1 0 242.363 1.258 10 0 BDAERO C(CC1CCCCC1)[NH2+]CCN1CCOCC1 ZINC000037741947 188288173 /nfs/dbraw/zinc/28/81/73/188288173.db2.gz IIERUFWQLWRRFV-UHFFFAOYSA-N 1 0 240.391 1.879 10 0 BDAERO CC(C)CNC(=O)[C@H](C)[NH2+]CCc1ccco1 ZINC000037978071 188289823 /nfs/dbraw/zinc/28/98/23/188289823.db2.gz FBTHEOIYEVNMFU-NSHDSACASA-N 1 0 238.331 1.572 10 0 BDAERO Cc1nc(N)sc1CSC(N)=[NH2+] ZINC000039105139 188291116 /nfs/dbraw/zinc/29/11/16/188291116.db2.gz QVCOKFUBOWBCSH-UHFFFAOYSA-N 1 0 202.308 1.160 10 0 BDAERO CC(C)N(CC1CC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000042591559 188293609 /nfs/dbraw/zinc/29/36/09/188293609.db2.gz VLNHLAMDVILYKN-LBPRGKRZSA-N 1 0 224.348 1.633 10 0 BDAERO CC(C)[C@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000082600476 188294624 /nfs/dbraw/zinc/29/46/24/188294624.db2.gz IFDDPMRFQGRTKZ-NSHDSACASA-N 1 0 227.329 1.746 10 0 BDAERO Cc1cccc2[nH]c([C@@H]([NH3+])CCO)nc21 ZINC000043598643 188295482 /nfs/dbraw/zinc/29/54/82/188295482.db2.gz LYGFYCSRMADMMP-QMMMGPOBSA-N 1 0 205.261 1.254 10 0 BDAERO CC(C)[C@H](C)NC(=O)CN[C@@H](C)CC[NH+](C)C ZINC000049557090 188298751 /nfs/dbraw/zinc/29/87/51/188298751.db2.gz MNCUGTAZJFHDCT-RYUDHWBXSA-N 1 0 243.395 1.077 10 0 BDAERO COc1ccc(CCN2CC[NH2+]C[C@@H](C)C2)cc1 ZINC000049660988 188299209 /nfs/dbraw/zinc/29/92/09/188299209.db2.gz GSIGOGLHJDZEAA-CYBMUJFWSA-N 1 0 248.370 1.779 10 0 BDAERO COc1ccc([C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000051955305 188299848 /nfs/dbraw/zinc/29/98/48/188299848.db2.gz LEGHJWRAAJLNEY-ZDUSSCGKSA-N 1 0 221.300 1.955 10 0 BDAERO CC(C)([NH3+])Cn1cc(Cl)cc(Cl)c1=O ZINC000057835191 188301108 /nfs/dbraw/zinc/30/11/08/188301108.db2.gz TZTSOEPDMABSLW-UHFFFAOYSA-N 1 0 235.114 1.892 10 0 BDAERO CC(C)(c1n[nH]c(C[NH3+])n1)c1ccccc1 ZINC000062773851 188302919 /nfs/dbraw/zinc/30/29/19/188302919.db2.gz IHWDFTHDECBCHR-UHFFFAOYSA-N 1 0 216.288 1.589 10 0 BDAERO C[C@@]1(C(=O)Nc2c(F)cccc2F)CC[NH2+]C1 ZINC000062890071 188303940 /nfs/dbraw/zinc/30/39/40/188303940.db2.gz XZBIXONLPOGTEE-GFCCVEGCSA-N 1 0 240.253 1.903 10 0 BDAERO CCCn1cccc1C(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000063172502 188304114 /nfs/dbraw/zinc/30/41/14/188304114.db2.gz ZWKBMQIRZQZNAJ-QWRGUYRKSA-N 1 0 235.331 1.508 10 0 BDAERO CC(=O)CCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941217 188304154 /nfs/dbraw/zinc/30/41/54/188304154.db2.gz QHPMXLQBLHYLMD-CQSZACIVSA-N 1 0 238.375 1.916 10 0 BDAERO CCCn1cccc1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000071143228 188305766 /nfs/dbraw/zinc/30/57/66/188305766.db2.gz XHGOCZGHOKEOFG-LBPRGKRZSA-N 1 0 249.358 1.580 10 0 BDAERO COc1ccc([C@@H](O)[C@H](C)[NH3+])c(Cl)c1 ZINC000071519508 188305912 /nfs/dbraw/zinc/30/59/12/188305912.db2.gz QHHODEKJELTGSM-WKEGUHRASA-N 1 0 215.680 1.729 10 0 BDAERO BrC1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000073155998 188307433 /nfs/dbraw/zinc/30/74/33/188307433.db2.gz QWWVXMVBBFVZLO-SSDOTTSWSA-N 1 0 219.082 1.237 10 0 BDAERO CC(C)c1nc([C@H]2COC[C@@H]2[NH3+])cs1 ZINC000165346800 353307294 /nfs/dbraw/zinc/30/72/94/353307294.db2.gz HXJCAVSDWVXFKK-YUMQZZPRSA-N 1 0 212.318 1.708 10 0 BDAERO COc1ccc(OCCOCCC[NH3+])cc1 ZINC000074494450 188307499 /nfs/dbraw/zinc/30/74/99/188307499.db2.gz AJYHWEVYXRCUAH-UHFFFAOYSA-N 1 0 225.288 1.439 10 0 BDAERO C1=[NH+][C@@H]2CCCC[C@@H]2NC2=C1N1CCC2CC1 ZINC000100903645 188322732 /nfs/dbraw/zinc/32/27/32/188322732.db2.gz LEOWMPKJHUXVMG-NEPJUHHUSA-N 1 0 231.343 1.909 10 0 BDAERO Cc1ccc(CNC(=O)C[C@H](C)C[NH3+])cc1 ZINC000076610163 188310000 /nfs/dbraw/zinc/31/00/00/188310000.db2.gz WOOAXBLIXYJVKB-NSHDSACASA-N 1 0 220.316 1.596 10 0 BDAERO CC(C)NC(=O)[C@H](C)[NH2+]C1(C)CCCC1 ZINC000042187116 188323991 /nfs/dbraw/zinc/32/39/91/188323991.db2.gz GDWXWZMZNQYOMY-JTQLQIEISA-N 1 0 212.337 1.822 10 0 BDAERO CC(C)C[C@H](CCC[NH3+])C(=O)N1CCOCC1 ZINC000076625101 188311134 /nfs/dbraw/zinc/31/11/34/188311134.db2.gz SCESIHCEOFQTFN-LBPRGKRZSA-N 1 0 242.363 1.246 10 0 BDAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCOC1 ZINC000308521703 180937251 /nfs/dbraw/zinc/93/72/51/180937251.db2.gz TUNOOZXBJRRDLI-GARJFASQSA-N 1 0 201.285 1.893 10 0 BDAERO CC1(C)C[C@H]([NH3+])c2cc3c(cc2O1)OCO3 ZINC000082506438 188312816 /nfs/dbraw/zinc/31/28/16/188312816.db2.gz CLBORFASPQLMSQ-QMMMGPOBSA-N 1 0 221.256 1.976 10 0 BDAERO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1 ZINC000090738874 188317739 /nfs/dbraw/zinc/31/77/39/188317739.db2.gz VWHSKQXJYHEPRF-JQWIXIFHSA-N 1 0 236.315 1.346 10 0 BDAERO CC(C)C[C@@H](C[NH3+])NC(=O)C1[C@@H]2CCC[C@H]12 ZINC000132742915 188318650 /nfs/dbraw/zinc/31/86/50/188318650.db2.gz NTGIWKFXYZBGST-WSMDXJOWSA-N 1 0 224.348 1.522 10 0 BDAERO CC(=O)NCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336662490 188339970 /nfs/dbraw/zinc/33/99/70/188339970.db2.gz KIPWOFZLCNAFGG-NEPJUHHUSA-N 1 0 230.327 1.631 10 0 BDAERO Cc1ccccc1CN(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104209604 188324342 /nfs/dbraw/zinc/32/43/42/188324342.db2.gz WOIKMSSWAHFMCM-GXTWGEPZSA-N 1 0 246.354 1.809 10 0 BDAERO CCOc1ccc(CC[NH2+]C)cc1NC(C)=O ZINC000107290591 188324727 /nfs/dbraw/zinc/32/47/27/188324727.db2.gz SMARGFIDZOIOQX-UHFFFAOYSA-N 1 0 236.315 1.806 10 0 BDAERO Cc1cc(N)n([C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000045658288 188326619 /nfs/dbraw/zinc/32/66/19/188326619.db2.gz GTLOEYLLLYCFKQ-JTQLQIEISA-N 1 0 208.309 1.429 10 0 BDAERO Cc1nn(C)cc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000131310413 188330697 /nfs/dbraw/zinc/33/06/97/188330697.db2.gz CXMQPVRBNKFTGA-VIFPVBQESA-N 1 0 225.361 1.666 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCc1ccco1 ZINC000077558529 188333802 /nfs/dbraw/zinc/33/38/02/188333802.db2.gz OBWSYVVKTQLVJM-VIFPVBQESA-N 1 0 210.277 1.269 10 0 BDAERO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CC[NH3+] ZINC000216552971 538115661 /nfs/dbraw/zinc/11/56/61/538115661.db2.gz ATSBZGYRUFOVCK-UWVGGRQHSA-N 1 0 228.336 1.838 10 0 BDAERO C(C[NH+]1CCCCC1)c1noc2c1CCN2 ZINC000003704128 188336952 /nfs/dbraw/zinc/33/69/52/188336952.db2.gz NISIIJXINWTJDK-UHFFFAOYSA-N 1 0 221.304 1.671 10 0 BDAERO C1CSC(S[C@@H]2CCC[NH2+]C2)=N1 ZINC000169726545 188339002 /nfs/dbraw/zinc/33/90/02/188339002.db2.gz JNRYSHXCNFNVOV-SSDOTTSWSA-N 1 0 202.348 1.574 10 0 BDAERO CC(C)(O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336650313 188339107 /nfs/dbraw/zinc/33/91/07/188339107.db2.gz APZSYDPFDHSWFB-UWVGGRQHSA-N 1 0 203.301 1.875 10 0 BDAERO C1=[NH+]C[C@@H](C[C@H]2CCc3ccccc3O2)N1 ZINC000013862103 188343684 /nfs/dbraw/zinc/34/36/84/188343684.db2.gz AGDPTWNZMXTMAR-VXGBXAGGSA-N 1 0 216.284 1.770 10 0 BDAERO CCc1nsc(O[C@H]2CCC[C@@H]2[NH3+])n1 ZINC000131657902 353372045 /nfs/dbraw/zinc/37/20/45/353372045.db2.gz BPPLLGLMDZRXPX-BQBZGAKWSA-N 1 0 213.306 1.359 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1Oc1ccncc1Cl ZINC000131618026 353372486 /nfs/dbraw/zinc/37/24/86/353372486.db2.gz FVXUEHJXTZTOSR-SCZZXKLOSA-N 1 0 212.680 1.994 10 0 BDAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)CS1 ZINC000309606191 188345641 /nfs/dbraw/zinc/34/56/41/188345641.db2.gz LIORJZLFPDJITM-MXWKQRLJSA-N 1 0 242.388 1.385 10 0 BDAERO CC(C)[C@@H](O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000310063452 188347909 /nfs/dbraw/zinc/34/79/09/188347909.db2.gz WMMKYRLMGOUZGV-STQMWFEESA-N 1 0 237.347 1.574 10 0 BDAERO CC(C)=CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000190629366 188350132 /nfs/dbraw/zinc/35/01/32/188350132.db2.gz SATRLHVKEMUBRA-NSHDSACASA-N 1 0 225.336 1.298 10 0 BDAERO Cn1ccc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000054242777 188354198 /nfs/dbraw/zinc/35/41/98/188354198.db2.gz UHDVAENTERHNFV-JTQLQIEISA-N 1 0 208.309 1.174 10 0 BDAERO CC[N@@H+]1CCCC[C@@H]1C1=NO[C@@H]2NCCCC=C12 ZINC000215987766 188355330 /nfs/dbraw/zinc/35/53/30/188355330.db2.gz IUGHOXHYSLFQNK-OCCSQVGLSA-N 1 0 249.358 1.883 10 0 BDAERO CC(C)C[C@@H]1C[NH2+]CCN1CC(F)(F)F ZINC000062611457 188360158 /nfs/dbraw/zinc/36/01/58/188360158.db2.gz OFRJDQKGKHHSBE-SECBINFHSA-N 1 0 224.270 1.869 10 0 BDAERO CC(C)C[C@H](C)N(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062114802 188360932 /nfs/dbraw/zinc/36/09/32/188360932.db2.gz LQJJTXFTGVJKKD-QWRGUYRKSA-N 1 0 212.337 1.489 10 0 BDAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C1COC1 ZINC000122860313 188364017 /nfs/dbraw/zinc/36/40/17/188364017.db2.gz NPYOYUMIVRETDQ-SECBINFHSA-N 1 0 207.273 1.312 10 0 BDAERO CC(C)[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123295532 188365493 /nfs/dbraw/zinc/36/54/93/188365493.db2.gz XWMHAKRLASFKMJ-NEPJUHHUSA-N 1 0 214.353 1.341 10 0 BDAERO O=C(C1CCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000226383123 353520326 /nfs/dbraw/zinc/52/03/26/353520326.db2.gz ZIBAJFIIHGBTCX-SECBINFHSA-N 1 0 221.222 1.898 10 0 BDAERO CN(C(=O)[C@@H]1CC1(C)C)[C@H]1CCC[NH2+]CC1 ZINC000231491604 353614954 /nfs/dbraw/zinc/61/49/54/353614954.db2.gz USSQQWQDWZTUNV-QWRGUYRKSA-N 1 0 224.348 1.633 10 0 BDAERO Fc1cccc(CO[C@@H]2CC[NH2+]C2)c1F ZINC000051782640 180998243 /nfs/dbraw/zinc/99/82/43/180998243.db2.gz CVLOFBJVAKOWBZ-SECBINFHSA-N 1 0 213.227 1.843 10 0 BDAERO Fc1cccc(F)c1C[C@H]1C[NH2+]CCN1 ZINC000095752554 181000118 /nfs/dbraw/zinc/00/01/18/181000118.db2.gz WWFLQWGLPTUXRW-QMMMGPOBSA-N 1 0 212.243 1.069 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1CCCC[C@H]1C ZINC000252440198 363249759 /nfs/dbraw/zinc/24/97/59/363249759.db2.gz YEYFPGATRNDQFW-RKDXNWHRSA-N 1 0 200.351 1.926 10 0 BDAERO Fc1ccccc1CC[C@@H]1COCC[NH2+]1 ZINC000071511486 181011592 /nfs/dbraw/zinc/01/15/92/181011592.db2.gz DBCFYBQYQACQRT-LLVKDONJSA-N 1 0 209.264 1.747 10 0 BDAERO Fc1cnc(OCCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095072040 181018771 /nfs/dbraw/zinc/01/87/71/181018771.db2.gz FHNJMOSBELPEPW-NSHDSACASA-N 1 0 239.294 1.917 10 0 BDAERO CCC[C@@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004433 491056080 /nfs/dbraw/zinc/05/60/80/491056080.db2.gz KWIFRQZXKNZQNI-NEPJUHHUSA-N 1 0 214.353 1.485 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)C(C)C ZINC000086004569 491056085 /nfs/dbraw/zinc/05/60/85/491056085.db2.gz MCUNSXQVEDKIMH-OLZOCXBDSA-N 1 0 228.380 1.731 10 0 BDAERO C[NH2+][C@@H]1CC[C@@H](S(=O)(=O)C(C)C)[C@H]1C ZINC000252469507 363283775 /nfs/dbraw/zinc/28/37/75/363283775.db2.gz UKTQCIWZPOARHR-IVZWLZJFSA-N 1 0 219.350 1.196 10 0 BDAERO Cn1c(Cl)cnc1[C@H](O)C(C)(C)C[NH3+] ZINC000301038022 363358702 /nfs/dbraw/zinc/35/87/02/363358702.db2.gz UZQHYMHLZJMEPQ-ZETCQYMHSA-N 1 0 217.700 1.092 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCNC2=O)c1 ZINC000334685865 354432244 /nfs/dbraw/zinc/43/22/44/354432244.db2.gz FLDHDMDZCRAHEL-ZYHUDNBSSA-N 1 0 218.300 1.534 10 0 BDAERO CCC[C@H](C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)[NH+](C)C ZINC000179145112 366210608 /nfs/dbraw/zinc/21/06/08/366210608.db2.gz LRHDAIPJVFOVNM-GRYCIOLGSA-N 1 0 238.375 1.831 10 0 BDAERO CCn1ccnc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000219000936 354605951 /nfs/dbraw/zinc/60/59/51/354605951.db2.gz VBNLUXVANRPQHH-NEPJUHHUSA-N 1 0 237.347 1.544 10 0 BDAERO CCC(=O)CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000232863569 363387669 /nfs/dbraw/zinc/38/76/69/363387669.db2.gz CRWZHAZHQVWXJA-LLVKDONJSA-N 1 0 213.321 1.450 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH3+])C1(C)C ZINC000233744881 363407679 /nfs/dbraw/zinc/40/76/79/363407679.db2.gz DJEGGWAAHCEMMQ-GMTAPVOTSA-N 1 0 214.353 1.517 10 0 BDAERO c1ccc2c(c1)OC[C@H]2CN[C@H]1CC[NH2+]C1 ZINC000335222519 355063379 /nfs/dbraw/zinc/06/33/79/355063379.db2.gz HACUTPUBSIVZHW-MNOVXSKESA-N 1 0 218.300 1.114 10 0 BDAERO CC(C)c1nccnc1NCC[NH+]1CCCCC1 ZINC000413053917 191351033 /nfs/dbraw/zinc/35/10/33/191351033.db2.gz LSIWNUFJCHFDEN-UHFFFAOYSA-N 1 0 248.374 1.920 10 0 BDAERO NC(=[NH2+])CSc1nnc2n1CCCCC2 ZINC000019863465 181186680 /nfs/dbraw/zinc/18/66/80/181186680.db2.gz UDVOPCCCTRQNBF-UHFFFAOYSA-N 1 0 225.321 1.033 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@H](OC)C2CCCC2)C1 ZINC000639266648 355326009 /nfs/dbraw/zinc/32/60/09/355326009.db2.gz KVYFXPVOYOPTSL-KGLIPLIRSA-N 1 0 240.391 1.875 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639268380 355328760 /nfs/dbraw/zinc/32/87/60/355328760.db2.gz ZUSCWSQHPIBTRH-RNJOBUHISA-N 1 0 208.349 1.716 10 0 BDAERO O=C(N[C@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000084067358 355279225 /nfs/dbraw/zinc/27/92/25/355279225.db2.gz FDPLFLBXFAJNTD-QWRGUYRKSA-N 1 0 208.305 1.211 10 0 BDAERO CC[C@@H]1C[NH2+]CC[C@@]12NC[C@@H](C)S2 ZINC000229823189 355419310 /nfs/dbraw/zinc/41/93/10/355419310.db2.gz ZOEOERQUHSEHKU-BBBLOLIVSA-N 1 0 200.351 1.427 10 0 BDAERO NC(=[NH2+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000100420196 181192313 /nfs/dbraw/zinc/19/23/13/181192313.db2.gz VAIVSKGFZNXHER-LLVKDONJSA-N 1 0 203.289 1.444 10 0 BDAERO CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](OC)C1 ZINC000233144322 355458000 /nfs/dbraw/zinc/45/80/00/355458000.db2.gz NFDVMFDQXZDFEW-UPJWGTAASA-N 1 0 226.364 1.628 10 0 BDAERO NC(=[NH2+])c1ccc(OC[C@@H]2CCCCO2)nc1 ZINC000019505463 181195590 /nfs/dbraw/zinc/19/55/90/181195590.db2.gz XUDPQCBXOLVCOU-JTQLQIEISA-N 1 0 235.287 1.314 10 0 BDAERO NC(=[NH2+])c1ccccc1OC[C@H]1CCCCO1 ZINC000020076677 181195908 /nfs/dbraw/zinc/19/59/08/181195908.db2.gz RSGBKBWAPSRXSG-SNVBAGLBSA-N 1 0 234.299 1.919 10 0 BDAERO NC(=[NH2+])c1ccccc1COC[C@@H]1CCOC1 ZINC000049690344 181196263 /nfs/dbraw/zinc/19/62/63/181196263.db2.gz MIRUGCDQVLPWQA-SNVBAGLBSA-N 1 0 234.299 1.524 10 0 BDAERO NC(=[NH2+])c1ccnc(N2CCC[C@@H]2CCCO)c1 ZINC000052760498 181197627 /nfs/dbraw/zinc/19/76/27/181197627.db2.gz LGTHZMIFVSWQEM-LLVKDONJSA-N 1 0 248.330 1.107 10 0 BDAERO NC(=O)[C@]1(O)CCC[N@H+](CC2CCC2)C1 ZINC000334747948 181205716 /nfs/dbraw/zinc/20/57/16/181205716.db2.gz KVBPYHCNLZOCRH-NSHDSACASA-N 1 0 212.293 1.149 10 0 BDAERO Cc1cc(C[NH2+]C2CC(CO)C2)sn1 ZINC000639334899 355762151 /nfs/dbraw/zinc/76/21/51/355762151.db2.gz KELQZBOCYCTMKX-UHFFFAOYSA-N 1 0 212.318 1.312 10 0 BDAERO CN1C[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1=O ZINC000639322242 355723848 /nfs/dbraw/zinc/72/38/48/355723848.db2.gz TZRVASPTULFHGP-MROQNXINSA-N 1 0 236.359 1.491 10 0 BDAERO CC(C)([NH3+])CN1C(=O)c2ccccc2C1=O ZINC000168413975 355803500 /nfs/dbraw/zinc/80/35/00/355803500.db2.gz PSNBSGFBCZIXFJ-UHFFFAOYSA-N 1 0 218.256 1.020 10 0 BDAERO NC(=O)/C=C/C1CC[NH+](Cc2ccccc2)CC1 ZINC000021994044 181211451 /nfs/dbraw/zinc/21/14/51/181211451.db2.gz AGFDFSPNAPQALH-VOTSOKGWSA-N 1 0 244.338 1.940 10 0 BDAERO NC(=O)C1CCC([NH2+]CCc2ccccn2)CC1 ZINC000038091862 181216298 /nfs/dbraw/zinc/21/62/98/181216298.db2.gz FIZLOPOXIFFZFT-UHFFFAOYSA-N 1 0 247.342 1.258 10 0 BDAERO NC1=[NH+]N(c2ccccc2Br)CC1 ZINC000137422246 355859868 /nfs/dbraw/zinc/85/98/68/355859868.db2.gz QJFNZQUTEGYRIR-UHFFFAOYSA-N 1 0 240.104 1.931 10 0 BDAERO CC(C)Oc1cncc(NC[C@H](C)C[NH3+])n1 ZINC000084901599 355872452 /nfs/dbraw/zinc/87/24/52/355872452.db2.gz IFSNCCNWFIMISO-SECBINFHSA-N 1 0 224.308 1.271 10 0 BDAERO C=Cn1cc(C[NH2+][C@@H]2CCN(CC)C2)cn1 ZINC000389245306 355934914 /nfs/dbraw/zinc/93/49/14/355934914.db2.gz ALXQSHPBGPBZMK-GFCCVEGCSA-N 1 0 220.320 1.167 10 0 BDAERO NC(=O)CNCc1ccccc1OC(F)(F)F ZINC000022148743 181235890 /nfs/dbraw/zinc/23/58/90/181235890.db2.gz DNWFOGBLKKQFQZ-UHFFFAOYSA-N 1 0 248.204 1.160 10 0 BDAERO NC(=O)CC[NH2+][C@H]1CCCc2ccccc21 ZINC000035133585 181225373 /nfs/dbraw/zinc/22/53/73/181225373.db2.gz FESFOVJBTIRZSD-LBPRGKRZSA-N 1 0 218.300 1.529 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000036906850 181241544 /nfs/dbraw/zinc/24/15/44/181241544.db2.gz WDQWAIVRBUOAHL-SCSAIBSYSA-N 1 0 204.682 1.277 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cccc2cc[nH]c21 ZINC000044252559 181241761 /nfs/dbraw/zinc/24/17/61/181241761.db2.gz VJDMIPJMDPTUCD-SECBINFHSA-N 1 0 203.245 1.043 10 0 BDAERO NC(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000068589792 181250983 /nfs/dbraw/zinc/25/09/83/181250983.db2.gz RAGFXEIFAQWQTI-LLVKDONJSA-N 1 0 225.336 1.309 10 0 BDAERO NC(=O)[C@@H](COCC1CCCCC1)[NH2+]C1CC1 ZINC000052157407 181265389 /nfs/dbraw/zinc/26/53/89/181265389.db2.gz RISMRECFZBMJMB-GFCCVEGCSA-N 1 0 240.347 1.189 10 0 BDAERO NC(=O)[C@@H]([NH3+])c1csc2ccccc21 ZINC000054464816 181265507 /nfs/dbraw/zinc/26/55/07/181265507.db2.gz QHBGHJSABZSAOI-VIFPVBQESA-N 1 0 206.270 1.386 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCC1)[C@H]1CC=CCC1 ZINC000037968984 181265514 /nfs/dbraw/zinc/26/55/14/181265514.db2.gz MBJRCAZVXLPKMR-JQWIXIFHSA-N 1 0 222.332 1.729 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCCCC1)[C@H]1CCOC1 ZINC000037970517 181264399 /nfs/dbraw/zinc/26/43/99/181264399.db2.gz NYZJGLDMDVBSAT-JQWIXIFHSA-N 1 0 240.347 1.189 10 0 BDAERO [NH3+]CC1(c2nc3cnccc3s2)CC1 ZINC000168624924 356468427 /nfs/dbraw/zinc/46/84/27/356468427.db2.gz OYZUQAAEBXBHPY-UHFFFAOYSA-N 1 0 205.286 1.682 10 0 BDAERO NC(=O)[C@H]([NH2+]CC1CC1)c1ccc(F)c(F)c1 ZINC000038000869 181278014 /nfs/dbraw/zinc/27/80/14/181278014.db2.gz PTSBWBRTXUSIBH-LLVKDONJSA-N 1 0 240.253 1.491 10 0 BDAERO NC(=O)[C@H]([NH2+]CC1CC1)c1ccccc1Cl ZINC000038000923 181278418 /nfs/dbraw/zinc/27/84/18/181278418.db2.gz HHFFNSNEQTYVQY-LLVKDONJSA-N 1 0 238.718 1.866 10 0 BDAERO NC(=O)[C@]1([NH2+]CC2CC2)CCc2ccccc2C1 ZINC000037947220 181284550 /nfs/dbraw/zinc/28/45/50/181284550.db2.gz NLCMBOHUIJLXFP-HNNXBMFYSA-N 1 0 244.338 1.399 10 0 BDAERO NC(=O)[C@H]1C[NH2+]C[C@@H](c2cccc(F)c2)C1 ZINC000082163285 181283652 /nfs/dbraw/zinc/28/36/52/181283652.db2.gz YEPSPFNXYQYGDY-VHSXEESVSA-N 1 0 222.263 1.004 10 0 BDAERO [NH3+]CCc1csc(-c2ccnnc2)n1 ZINC000083344695 538469510 /nfs/dbraw/zinc/46/95/10/538469510.db2.gz IRTSUSGCHIBRSH-UHFFFAOYSA-N 1 0 206.274 1.101 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H]([NH3+])[C@H]21 ZINC000675058543 538481378 /nfs/dbraw/zinc/48/13/78/538481378.db2.gz KYYGMGVJOMVZFY-GUBZILKMSA-N 1 0 226.320 1.733 10 0 BDAERO O=C(NC[C@@H]1[NH2+]CCOc2ccccc21)C1CC1 ZINC000675058302 538481445 /nfs/dbraw/zinc/48/14/45/538481445.db2.gz ZHAKSSOCFFZHSC-LBPRGKRZSA-N 1 0 246.310 1.236 10 0 BDAERO CCC[C@@]1(CNC(=O)CC2CC2)C[NH2+]CCO1 ZINC000675059538 538484260 /nfs/dbraw/zinc/48/42/60/538484260.db2.gz RPAZTCYDUZRXKC-ZDUSSCGKSA-N 1 0 240.347 1.061 10 0 BDAERO c1sc(-c2ccnnc2)nc1CC[NH2+]C1CC1 ZINC000675051163 538473986 /nfs/dbraw/zinc/47/39/86/538473986.db2.gz NCHMAMHAEIUDTB-UHFFFAOYSA-N 1 0 246.339 1.895 10 0 BDAERO C[C@H]1CC(C)(C)C[C@H]1n1cc(C[NH3+])nn1 ZINC000675051617 538474852 /nfs/dbraw/zinc/47/48/52/538474852.db2.gz PNJKMGVFCNAYBK-WCBMZHEXSA-N 1 0 208.309 1.734 10 0 BDAERO CC(C)CC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675057008 538478867 /nfs/dbraw/zinc/47/88/67/538478867.db2.gz UETWOEYSGVQWGJ-QWRGUYRKSA-N 1 0 210.321 1.243 10 0 BDAERO CCC[C@@]1(CNC(=O)CC(C)C)C[NH2+]CCO1 ZINC000675059508 538484511 /nfs/dbraw/zinc/48/45/11/538484511.db2.gz QLMHRNZIZJBXGY-ZDUSSCGKSA-N 1 0 242.363 1.307 10 0 BDAERO CC(C)[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675068543 538496844 /nfs/dbraw/zinc/49/68/44/538496844.db2.gz BKONLXLOZPYGCG-PJSNJIKXSA-N 1 0 238.375 1.768 10 0 BDAERO C[C@@H](C(=O)N1CCO[C@](C)(C[NH3+])C1)C(C)(C)C ZINC000675060037 538485481 /nfs/dbraw/zinc/48/54/81/538485481.db2.gz ZRGXVEWOCLSHJH-GXFFZTMASA-N 1 0 242.363 1.245 10 0 BDAERO CCC[C@H](C)C(=O)N1CCO[C@@](CC)(C[NH3+])C1 ZINC000675059933 538485503 /nfs/dbraw/zinc/48/55/03/538485503.db2.gz YKGVRVNUTMLQSP-AAEUAGOBSA-N 1 0 242.363 1.389 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C2CCS(=O)(=O)CC2)C1 ZINC000675060291 538485832 /nfs/dbraw/zinc/48/58/32/538485832.db2.gz VKEFJJWZNCVKCL-ONGXEEELSA-N 1 0 231.361 1.057 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H](C2CCS(=O)(=O)CC2)C1 ZINC000675060256 538485986 /nfs/dbraw/zinc/48/59/86/538485986.db2.gz VKEFJJWZNCVKCL-KOLCDFICSA-N 1 0 231.361 1.057 10 0 BDAERO COc1ccc(F)c2[nH]c(=O)c(C[NH3+])cc12 ZINC000675069058 538497436 /nfs/dbraw/zinc/49/74/36/538497436.db2.gz AXDQDEPBKRSCCU-UHFFFAOYSA-N 1 0 222.219 1.547 10 0 BDAERO CCc1cn2c(n1)[C@@H](CSC)[NH2+]CCC2 ZINC000675068175 538495578 /nfs/dbraw/zinc/49/55/78/538495578.db2.gz NGFDQYBQCAACHQ-SNVBAGLBSA-N 1 0 225.361 1.843 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000168025630 134155513 /nfs/dbraw/zinc/15/55/13/134155513.db2.gz VSSYSVNKELBSKU-RYUDHWBXSA-N 1 0 215.337 1.504 10 0 BDAERO [NH3+][C@@H]1C[C@@H]2C[C@@H](CNC(=O)C3CCC3)C[C@@H]12 ZINC000675070652 538501279 /nfs/dbraw/zinc/50/12/79/538501279.db2.gz RDCCTVHEDDFLQO-SASUGWTJSA-N 1 0 222.332 1.276 10 0 BDAERO [NH3+][C@@H]1C[C@@H]2C[C@H](CNC(=O)C3CCC3)C[C@H]12 ZINC000675070651 538501329 /nfs/dbraw/zinc/50/13/29/538501329.db2.gz RDCCTVHEDDFLQO-PDEGPIFNSA-N 1 0 222.332 1.276 10 0 BDAERO [NH3+][C@@H]1C[C@@H]2C[C@@H](CNC(=O)C3CCC3)C[C@H]12 ZINC000675070649 538501336 /nfs/dbraw/zinc/50/13/36/538501336.db2.gz RDCCTVHEDDFLQO-NUGNTBJXSA-N 1 0 222.332 1.276 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000167643693 134153294 /nfs/dbraw/zinc/15/32/94/134153294.db2.gz MSFGDMNXRIEWJG-BBBLOLIVSA-N 1 0 203.326 1.406 10 0 BDAERO COCC[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000167646311 134153442 /nfs/dbraw/zinc/15/34/42/134153442.db2.gz HARINIAJHSADRE-UWVGGRQHSA-N 1 0 203.326 1.408 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675071259 538502496 /nfs/dbraw/zinc/50/24/96/538502496.db2.gz ZHHCMCRJLCBYKY-CLPYTZEMSA-N 1 0 238.375 1.768 10 0 BDAERO OC[C@H]1[NH2+]CCOc2c(Cl)cccc21 ZINC000675073492 538505660 /nfs/dbraw/zinc/50/56/60/538505660.db2.gz KCCOPWRETMLXCZ-SECBINFHSA-N 1 0 213.664 1.355 10 0 BDAERO O=C(NC[C@@]12C[C@@H]1CCC[NH2+]2)C1CCC1 ZINC000675069562 538498509 /nfs/dbraw/zinc/49/85/09/538498509.db2.gz IFYISECCWZLFBC-JQWIXIFHSA-N 1 0 208.305 1.045 10 0 BDAERO N[C@@H]1C=C(c2ccc(F)c(F)c2)C[NH2+]C1 ZINC000675077924 538513250 /nfs/dbraw/zinc/51/32/50/538513250.db2.gz KAEDOVQYMGHMJK-SECBINFHSA-N 1 0 210.227 1.279 10 0 BDAERO Cc1nc(C)c(C2=C[C@H](O)C[NH2+]C2)s1 ZINC000675077796 538513591 /nfs/dbraw/zinc/51/35/91/538513591.db2.gz RHWNOCONLJTTOE-VIFPVBQESA-N 1 0 210.302 1.107 10 0 BDAERO N[C@@H]1C=C(Cc2scnc2Cl)C[NH2+]C1 ZINC000675077899 538514607 /nfs/dbraw/zinc/51/46/07/538514607.db2.gz JVWSONOFBXFCRF-SSDOTTSWSA-N 1 0 229.736 1.196 10 0 BDAERO [NH3+][C@H]1C=C(c2cnc(C3CC3)s2)CNC1 ZINC000675077873 538515500 /nfs/dbraw/zinc/51/55/00/538515500.db2.gz JNDWCKWSSDQASX-VIFPVBQESA-N 1 0 221.329 1.334 10 0 BDAERO O[C@H]1C=C(c2ccsc2Cl)C[NH2+]C1 ZINC000675078073 538515645 /nfs/dbraw/zinc/51/56/45/538515645.db2.gz VMFFAEWEZIBJJR-ZETCQYMHSA-N 1 0 215.705 1.749 10 0 BDAERO CO[C@@H]1CCC[C@H](C2=C[C@@H](N)C[NH2+]C2)C1 ZINC000675079080 538517291 /nfs/dbraw/zinc/51/72/91/538517291.db2.gz VRYATGLTLPDFGY-MVWJERBFSA-N 1 0 210.321 1.049 10 0 BDAERO [NH3+][C@@H]1C=C(c2ccc(Cl)cc2F)CNC1 ZINC000675079348 538517600 /nfs/dbraw/zinc/51/76/00/538517600.db2.gz XVTBDVTVHHOGHL-SECBINFHSA-N 1 0 226.682 1.793 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000389485971 356691847 /nfs/dbraw/zinc/69/18/47/356691847.db2.gz YMDOCQKMWJJFTE-ZIAGYGMSSA-N 1 0 240.391 1.611 10 0 BDAERO CO[C@@H]1CCC[C@H](C2=C[C@H](N)C[NH2+]C2)C1 ZINC000675079082 538518219 /nfs/dbraw/zinc/51/82/19/538518219.db2.gz VRYATGLTLPDFGY-ZMLRMANQSA-N 1 0 210.321 1.049 10 0 BDAERO N[C@H]1C=C(c2ccc(F)c(F)c2)C[NH2+]C1 ZINC000675077925 538513108 /nfs/dbraw/zinc/51/31/08/538513108.db2.gz KAEDOVQYMGHMJK-VIFPVBQESA-N 1 0 210.227 1.279 10 0 BDAERO CC(C)Cc1nc(C[C@@H]2CC[NH2+]C2)n(C)n1 ZINC000084381292 538532508 /nfs/dbraw/zinc/53/25/08/538532508.db2.gz XHQWDACCWULHKT-JTQLQIEISA-N 1 0 222.336 1.166 10 0 BDAERO CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000174988789 535341264 /nfs/dbraw/zinc/34/12/64/535341264.db2.gz MZXYKCLVQSQOQI-RYUDHWBXSA-N 1 0 224.348 1.872 10 0 BDAERO C[C@@H](CC[NH3+])Nc1ncc(F)cc1F ZINC000160389062 356697640 /nfs/dbraw/zinc/69/76/40/356697640.db2.gz HSXLWYCSJKFTEZ-LURJTMIESA-N 1 0 201.220 1.509 10 0 BDAERO Cn1nc(C2CC2)nc1CC1CC[NH2+]CC1 ZINC000086573500 538558328 /nfs/dbraw/zinc/55/83/28/538558328.db2.gz NGANXHBTGQDGCL-UHFFFAOYSA-N 1 0 220.320 1.235 10 0 BDAERO CCC[C@H](C[NH3+])[C@H](O)c1cscn1 ZINC000127053365 538537976 /nfs/dbraw/zinc/53/79/76/538537976.db2.gz YGFRLFYJTPWHKC-APPZFPTMSA-N 1 0 200.307 1.552 10 0 BDAERO c1nc2c([nH]1)[C@@H](Cc1ccccc1)[NH2+]CC2 ZINC000083988947 538525699 /nfs/dbraw/zinc/52/56/99/538525699.db2.gz GZPVTNNLULMUAV-GFCCVEGCSA-N 1 0 213.284 1.839 10 0 BDAERO Cn1c(NC(=O)OC(C)(C)C)cnc1C[NH3+] ZINC000084252765 538529697 /nfs/dbraw/zinc/52/96/97/538529697.db2.gz BFOXLTCQJKOWJI-UHFFFAOYSA-N 1 0 226.280 1.226 10 0 BDAERO [NH3+]CC[C@@H]1C(=O)Nc2cc(F)c(F)cc21 ZINC000087798685 538570270 /nfs/dbraw/zinc/57/02/70/538570270.db2.gz SFSYVVFQIBZLGR-YFKPBYRVSA-N 1 0 212.199 1.349 10 0 BDAERO C[C@@H]1COC[C@@H](CC(=O)c2ccoc2)[NH2+]1 ZINC000130367158 538589718 /nfs/dbraw/zinc/58/97/18/538589718.db2.gz VKVOLYLDLZXEQC-PSASIEDQSA-N 1 0 209.245 1.229 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000223162050 538591661 /nfs/dbraw/zinc/59/16/61/538591661.db2.gz RVZSIOLGVWXRJQ-NSHDSACASA-N 1 0 207.273 1.600 10 0 BDAERO CC[C@H](C[NH3+])[C@H](O)c1ncc(Cl)s1 ZINC000223312657 538593804 /nfs/dbraw/zinc/59/38/04/538593804.db2.gz GUBHNSWRADLFFB-VDTYLAMSSA-N 1 0 220.725 1.815 10 0 BDAERO CC[C@@H](C[NH3+])[C@H](O)c1ncc(Cl)s1 ZINC000223312604 538594180 /nfs/dbraw/zinc/59/41/80/538594180.db2.gz GUBHNSWRADLFFB-FSPLSTOPSA-N 1 0 220.725 1.815 10 0 BDAERO NC(=O)c1cc(Cl)ccc1N[C@@H]1CC[NH2+]C1 ZINC000052858819 181289127 /nfs/dbraw/zinc/28/91/27/181289127.db2.gz DONCCYCDUWQOQF-MRVPVSSYSA-N 1 0 239.706 1.213 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cn1 ZINC000390501390 356821328 /nfs/dbraw/zinc/82/13/28/356821328.db2.gz URSVMLOYHQNDKN-VXGBXAGGSA-N 1 0 221.304 1.178 10 0 BDAERO COc1cc2[nH]c(=O)c(C[NH3+])cc2c(OC)c1 ZINC000214230972 538727735 /nfs/dbraw/zinc/72/77/35/538727735.db2.gz ZIASOOQGFQLOJM-UHFFFAOYSA-N 1 0 234.255 1.004 10 0 BDAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncc(F)cn1 ZINC000389742721 357023691 /nfs/dbraw/zinc/02/36/91/357023691.db2.gz CJKWAGKXUFFLPJ-IONNQARKSA-N 1 0 210.256 1.026 10 0 BDAERO COCC[NH2+]CCCOc1ccccc1F ZINC000053566123 357046862 /nfs/dbraw/zinc/04/68/62/357046862.db2.gz KOMNGEJGWYFHJS-UHFFFAOYSA-N 1 0 227.279 1.831 10 0 BDAERO [NH3+]C1(C(=O)[C@H]2CCOC3(CCC3)C2)CC1 ZINC000226433569 357141013 /nfs/dbraw/zinc/14/10/13/357141013.db2.gz AKNGAXNYJKJZFZ-VIFPVBQESA-N 1 0 209.289 1.396 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]1)c1cncc(F)c1 ZINC000168747741 357211298 /nfs/dbraw/zinc/21/12/98/357211298.db2.gz JNWVDQVGYOMXGL-SNVBAGLBSA-N 1 0 208.236 1.546 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH]nc1C ZINC000123455402 357227139 /nfs/dbraw/zinc/22/71/39/357227139.db2.gz XGSNAHZTNPPEBW-CYBMUJFWSA-N 1 0 236.363 1.634 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccnn1C ZINC000123427103 357227376 /nfs/dbraw/zinc/22/73/76/357227376.db2.gz JFUWVXKIIKGAAZ-ZDUSSCGKSA-N 1 0 236.363 1.336 10 0 BDAERO C[N@@H+]1CCSC[C@H]1[C@H](O)c1ccsc1 ZINC000300052715 357180155 /nfs/dbraw/zinc/18/01/55/357180155.db2.gz IIRCEWPHVASTKQ-VHSXEESVSA-N 1 0 229.370 1.829 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@H](O)C1CCCC1 ZINC000300052945 357180398 /nfs/dbraw/zinc/18/03/98/357180398.db2.gz LQPDGXLRCOJFJD-GHMZBOCLSA-N 1 0 215.362 1.585 10 0 BDAERO COC[C@H]1CCC[N@@H+]([C@H]2CCCC2=O)C1 ZINC000300058157 357180728 /nfs/dbraw/zinc/18/07/28/357180728.db2.gz VSQVPKJNPMZISO-QWRGUYRKSA-N 1 0 211.305 1.466 10 0 BDAERO FC(F)Oc1ccc(NC2C[NH2+]C2)nc1 ZINC000392994271 357267741 /nfs/dbraw/zinc/26/77/41/357267741.db2.gz GGFSRYQJBPTHGW-UHFFFAOYSA-N 1 0 215.203 1.067 10 0 BDAERO Cc1cnc([C@H](C)[NH2+]CCc2cnn(C)c2)o1 ZINC000230647812 357544417 /nfs/dbraw/zinc/54/44/17/357544417.db2.gz FGLWVVUDARXDAY-JTQLQIEISA-N 1 0 234.303 1.610 10 0 BDAERO C[C@H]([NH3+])CCNc1ccccc1S(C)(=O)=O ZINC000063171716 357552591 /nfs/dbraw/zinc/55/25/91/357552591.db2.gz IYVLNPAPGSVLGH-VIFPVBQESA-N 1 0 242.344 1.239 10 0 BDAERO NC(=O)c1cc(OCC[C@H]2CCCC[NH2+]2)ccn1 ZINC000051870953 181292101 /nfs/dbraw/zinc/29/21/01/181292101.db2.gz DNYWWOPIACGMTO-SNVBAGLBSA-N 1 0 249.314 1.092 10 0 BDAERO CCn1cncc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000231294107 357599812 /nfs/dbraw/zinc/59/98/12/357599812.db2.gz RQTPSWFOHDKXEL-AAEUAGOBSA-N 1 0 237.347 1.544 10 0 BDAERO O=C(CC1CC1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000231447394 357613461 /nfs/dbraw/zinc/61/34/61/357613461.db2.gz KSQDICMMVRMXPU-LLVKDONJSA-N 1 0 222.332 1.530 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)c1nc(C)cs1 ZINC000159703171 538878872 /nfs/dbraw/zinc/87/88/72/538878872.db2.gz CWOYDLPXOXEHEL-HTQZYQBOSA-N 1 0 200.307 1.470 10 0 BDAERO CCOCCCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000231477781 357614937 /nfs/dbraw/zinc/61/49/37/357614937.db2.gz YJHSIDPCTJJFNC-GFCCVEGCSA-N 1 0 242.363 1.404 10 0 BDAERO COC(=O)[C@H](C)NC1CCC(C)(C[NH3+])CC1 ZINC000685946543 538885637 /nfs/dbraw/zinc/88/56/37/538885637.db2.gz SAPLWGASHAZRHK-BMQDGWLCSA-N 1 0 228.336 1.045 10 0 BDAERO C1CC1c1nnc([C@]23CCC[C@H]2C[NH2+]C3)o1 ZINC000685945737 538886957 /nfs/dbraw/zinc/88/69/57/538886957.db2.gz FLUSEAANMDCPHP-CABZTGNLSA-N 1 0 219.288 1.588 10 0 BDAERO Cc1cc(C)cc([C@@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685945872 538887306 /nfs/dbraw/zinc/88/73/06/538887306.db2.gz CYNDZIVRLDWZLB-STQMWFEESA-N 1 0 204.317 1.708 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1C ZINC000685945821 538887348 /nfs/dbraw/zinc/88/73/48/538887348.db2.gz BQERXUYRJXPKFE-WCQYABFASA-N 1 0 220.316 1.408 10 0 BDAERO O=C(NC[C@@]12CC[C@H]1CC[NH2+]2)C1CCC1 ZINC000685946034 538887645 /nfs/dbraw/zinc/88/76/45/538887645.db2.gz CBVUJEMWFXLSKJ-JQWIXIFHSA-N 1 0 208.305 1.045 10 0 BDAERO CCC[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000685946304 538887911 /nfs/dbraw/zinc/88/79/11/538887911.db2.gz NSMDEBLYCHSXAV-GUBZILKMSA-N 1 0 216.300 1.239 10 0 BDAERO CC(C)(C)NC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685947017 538888525 /nfs/dbraw/zinc/88/85/25/538888525.db2.gz HVPQXIXZFYIDFL-UHFFFAOYSA-N 1 0 225.336 1.180 10 0 BDAERO CC(C)(C)C(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947204 538888639 /nfs/dbraw/zinc/88/86/39/538888639.db2.gz GPMVSFMRALVEJF-UHFFFAOYSA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)CC(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000685947257 538888731 /nfs/dbraw/zinc/88/87/31/538888731.db2.gz SSCWWFAGHGATKR-JQWIXIFHSA-N 1 0 210.321 1.291 10 0 BDAERO CCC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000685947398 538889090 /nfs/dbraw/zinc/88/90/90/538889090.db2.gz VELKRLFVWOOTNB-SNVBAGLBSA-N 1 0 210.321 1.435 10 0 BDAERO CCC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000685947395 538889270 /nfs/dbraw/zinc/88/92/70/538889270.db2.gz VELKRLFVWOOTNB-JTQLQIEISA-N 1 0 210.321 1.435 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000685947375 538889350 /nfs/dbraw/zinc/88/93/50/538889350.db2.gz MKXXDFUJLQCVIR-NSHDSACASA-N 1 0 224.348 1.491 10 0 BDAERO CC(=O)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000685947808 538889597 /nfs/dbraw/zinc/88/95/97/538889597.db2.gz RCGVLXXTHPBDQW-RWMBFGLXSA-N 1 0 222.332 1.387 10 0 BDAERO FC(F)COCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000189683435 357657253 /nfs/dbraw/zinc/65/72/53/357657253.db2.gz WJLOSKHTHGOMKJ-NSHDSACASA-N 1 0 248.317 1.438 10 0 BDAERO C[C@@H](O)C[N@H+](C)[C@@H]1CCOC12CCCC2 ZINC000685949073 538891516 /nfs/dbraw/zinc/89/15/16/538891516.db2.gz JYELJNQCCBHVLW-GHMZBOCLSA-N 1 0 213.321 1.401 10 0 BDAERO CCC[NH+](CCC)[C@@H]1CCNC[C@H]1F ZINC000685948979 538891658 /nfs/dbraw/zinc/89/16/58/538891658.db2.gz ZCZXOBFBZPGXBK-GHMZBOCLSA-N 1 0 202.317 1.808 10 0 BDAERO CCC[NH+](CCC)[C@H]1CCNC[C@@H]1F ZINC000685948981 538891875 /nfs/dbraw/zinc/89/18/75/538891875.db2.gz ZCZXOBFBZPGXBK-QWRGUYRKSA-N 1 0 202.317 1.808 10 0 BDAERO O=C(CC1CC1)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685949051 538892063 /nfs/dbraw/zinc/89/20/63/538892063.db2.gz JQKIIQPVHOTGHF-WCQYABFASA-N 1 0 222.332 1.577 10 0 BDAERO [NH3+][C@]12CCN(C(=O)C3CCC3)[C@@H]1CCCC2 ZINC000685949170 538892239 /nfs/dbraw/zinc/89/22/39/538892239.db2.gz LCHNAMWUNGJBCI-DGCLKSJQSA-N 1 0 222.332 1.659 10 0 BDAERO [NH3+][C@@]12CCN(C(=O)CC3CC3)[C@H]1CCCC2 ZINC000685949147 538892362 /nfs/dbraw/zinc/89/23/62/538892362.db2.gz KPEWQPDOJATUPU-AAEUAGOBSA-N 1 0 222.332 1.659 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685949286 538892366 /nfs/dbraw/zinc/89/23/66/538892366.db2.gz OCJBEUMEAQHTPQ-MFKMUULPSA-N 1 0 224.348 1.905 10 0 BDAERO CCNC(=O)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000685949319 538892469 /nfs/dbraw/zinc/89/24/69/538892469.db2.gz PDNDYPSQNLPURW-NSHDSACASA-N 1 0 206.289 1.173 10 0 BDAERO CC(C)NC(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949261 538892504 /nfs/dbraw/zinc/89/25/04/538892504.db2.gz NOFQDQNEXDFDEA-PWSUYJOCSA-N 1 0 225.336 1.369 10 0 BDAERO CCCS(=O)(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685949248 538892521 /nfs/dbraw/zinc/89/25/21/538892521.db2.gz NIPWGIIUTYAACY-GHMZBOCLSA-N 1 0 246.376 1.072 10 0 BDAERO CCCS(=O)(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685949254 538892646 /nfs/dbraw/zinc/89/26/46/538892646.db2.gz NIPWGIIUTYAACY-QWRGUYRKSA-N 1 0 246.376 1.072 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000232629497 357669637 /nfs/dbraw/zinc/66/96/37/357669637.db2.gz HDDQQGSWNRQXAO-OLZOCXBDSA-N 1 0 225.332 1.880 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](C)C1N1CCOCC1(C)C ZINC000685950915 538894667 /nfs/dbraw/zinc/89/46/67/538894667.db2.gz HVTAXKVHOJKSHE-QWRGUYRKSA-N 1 0 226.364 1.341 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000685952950 538895483 /nfs/dbraw/zinc/89/54/83/538895483.db2.gz DIOKHAVGJBRUAN-IVZWLZJFSA-N 1 0 219.350 1.327 10 0 BDAERO CC(C)Cc1cnnn1C1CC[NH2+]CC1 ZINC000685951626 538895602 /nfs/dbraw/zinc/89/56/02/538895602.db2.gz CZEZVDGLZKIJMK-UHFFFAOYSA-N 1 0 208.309 1.401 10 0 BDAERO CC[NH+](CC)CCNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190209456 357693148 /nfs/dbraw/zinc/69/31/48/357693148.db2.gz SGMOFOGINUUNFC-VXGBXAGGSA-N 1 0 242.363 1.260 10 0 BDAERO CCCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190743645 357730106 /nfs/dbraw/zinc/73/01/06/357730106.db2.gz OYSUYJCHBXTWCU-LLVKDONJSA-N 1 0 224.348 1.920 10 0 BDAERO CCc1ncnc(NC[C@H]([NH3+])C(C)C)c1F ZINC000234169577 357776590 /nfs/dbraw/zinc/77/65/90/357776590.db2.gz XSTIWXOPMBWNBD-QMMMGPOBSA-N 1 0 226.299 1.573 10 0 BDAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCCO)c1C ZINC000234191343 357776645 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357944681 /nfs/dbraw/zinc/94/46/81/357944681.db2.gz DAZZBZIWDVTRIV-DGCLKSJQSA-N 1 0 227.348 1.648 10 0 BDAERO C[Si](C)(C)C[NH+]1CCC(n2cncn2)CC1 ZINC000170884791 134254479 /nfs/dbraw/zinc/25/44/79/134254479.db2.gz NPXJQIBUUMPMAG-UHFFFAOYSA-N 1 0 238.411 1.792 10 0 BDAERO COc1ccc(C[C@@H]([NH3+])C2CC2)cc1OC ZINC000038127752 358118041 /nfs/dbraw/zinc/11/80/41/358118041.db2.gz QKUYHMFJNUAZJX-LLVKDONJSA-N 1 0 221.300 1.984 10 0 BDAERO C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@@H]1CO ZINC000640058840 358147209 /nfs/dbraw/zinc/14/72/09/358147209.db2.gz LFNYBTIIULPUQN-AAVRWANBSA-N 1 0 241.375 1.630 10 0 BDAERO Cc1c(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cnn1C ZINC000163152063 202228465 /nfs/dbraw/zinc/22/84/65/202228465.db2.gz OMFXVLKACRHJIV-ZWNOBZJWSA-N 1 0 248.374 1.443 10 0 BDAERO Cc1cc(C[NH2+]CCn2ccnc2)cc(C)c1O ZINC000041063312 358242080 /nfs/dbraw/zinc/24/20/80/358242080.db2.gz SHMGPHXTWINIFJ-UHFFFAOYSA-N 1 0 245.326 1.995 10 0 BDAERO CCOC(=O)[C@@](C)(C[NH3+])c1cccc(OC)c1 ZINC000584595321 358252634 /nfs/dbraw/zinc/25/26/34/358252634.db2.gz MZLARBFWPZFNHJ-ZDUSSCGKSA-N 1 0 237.299 1.475 10 0 BDAERO COc1cccc2c1[C@@H]1CC[C@@H](O)[NH2+][C@@H]1CC2 ZINC000584596746 358254568 /nfs/dbraw/zinc/25/45/68/358254568.db2.gz RRRYEDJMZRPDTM-NQBHXWOUSA-N 1 0 233.311 1.795 10 0 BDAERO O=C(c1ccncc1)[C@@H]1CC2CC[NH+]1CC2 ZINC000584605948 358265609 /nfs/dbraw/zinc/26/56/09/358265609.db2.gz AGPHCKRUQYHTJA-LBPRGKRZSA-N 1 0 216.284 1.749 10 0 BDAERO NC(=O)c1ccc([C@H]2CCC[NH2+]C2)c2cc[nH]c21 ZINC000584619072 358285707 /nfs/dbraw/zinc/28/57/07/358285707.db2.gz CDBJHDBFGGGWEB-VIFPVBQESA-N 1 0 243.310 1.734 10 0 BDAERO NC(=O)c1ncc([C@@H]2CCC[NH2+]C2)c2cc[nH]c21 ZINC000584619802 358286070 /nfs/dbraw/zinc/28/60/70/358286070.db2.gz FCRSLFDDFLWKPS-MRVPVSSYSA-N 1 0 244.298 1.129 10 0 BDAERO C[NH2+][C@@H]1C[C@]2(CCCO2)CC[C@H]1N1CCCC1 ZINC000584620503 358287255 /nfs/dbraw/zinc/28/72/55/358287255.db2.gz RAXWFJLWEVRORF-MCIONIFRSA-N 1 0 238.375 1.772 10 0 BDAERO C[C@H]1C[NH2+]Cc2cnc(-c3ccccn3)nc21 ZINC000584648859 358303312 /nfs/dbraw/zinc/30/33/12/358303312.db2.gz WEDBBIBBRZMVMQ-VIFPVBQESA-N 1 0 226.283 1.745 10 0 BDAERO CCOC(=O)c1[nH]c([C@@H]2CCC[NH2+]2)cc1OC ZINC000584659906 358311897 /nfs/dbraw/zinc/31/18/97/358311897.db2.gz YVGGCJYHPLSWQY-QMMMGPOBSA-N 1 0 238.287 1.625 10 0 BDAERO Nc1cnn(CCCC2CC[NH2+]CC2)c1 ZINC000584645144 358330199 /nfs/dbraw/zinc/33/01/99/358330199.db2.gz VHNLWLAFXJYMPB-UHFFFAOYSA-N 1 0 208.309 1.245 10 0 BDAERO CC(C)(C)C[C@H](O)C[NH2+]CC(C)(C)O ZINC000226090171 358333744 /nfs/dbraw/zinc/33/37/44/358333744.db2.gz KIVBKXUILYOMAB-VIFPVBQESA-N 1 0 203.326 1.144 10 0 BDAERO CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1OC ZINC000584633890 358317423 /nfs/dbraw/zinc/31/74/23/358317423.db2.gz RMTKSKPHOQGSAP-ZIAGYGMSSA-N 1 0 234.343 1.495 10 0 BDAERO Cc1ccccc1C(=O)N(C)C1C[NH2+]C1 ZINC000085257543 134270141 /nfs/dbraw/zinc/27/01/41/134270141.db2.gz KVYWYAJYODKOMC-UHFFFAOYSA-N 1 0 204.273 1.039 10 0 BDAERO OC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000226229997 358336226 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DLSIQHJOESCAPM-UHFFFAOYSA-N 1 0 202.616 1.376 10 0 BDAERO CCNC(=O)[C@@H]([NH3+])Cc1coc2ccccc12 ZINC000725263428 541337098 /nfs/dbraw/zinc/33/70/98/541337098.db2.gz FOXUBAYVDCOEOA-NSHDSACASA-N 1 0 232.283 1.439 10 0 BDAERO CC(C)CC[NH2+]C[C@@H](O)[C@H]1COC(C)(C)O1 ZINC000725268947 541337998 /nfs/dbraw/zinc/33/79/98/541337998.db2.gz IFMXJRZAXLIBMB-GHMZBOCLSA-N 1 0 231.336 1.135 10 0 BDAERO CC(C)CC[NH2+]C[C@H](O)[C@H]1COC(C)(C)O1 ZINC000725268950 541338088 /nfs/dbraw/zinc/33/80/88/541338088.db2.gz IFMXJRZAXLIBMB-WDEREUQCSA-N 1 0 231.336 1.135 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000725269022 541338213 /nfs/dbraw/zinc/33/82/13/541338213.db2.gz BWKBUPALPPDNPI-RYUDHWBXSA-N 1 0 241.379 1.862 10 0 BDAERO CC(C)Cn1nnc([C@H]2CCCCO2)c1C[NH3+] ZINC000725269038 541338259 /nfs/dbraw/zinc/33/82/59/541338259.db2.gz JHXJNYCIQKKNDM-LLVKDONJSA-N 1 0 238.335 1.634 10 0 BDAERO Oc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1 ZINC000725268984 541338373 /nfs/dbraw/zinc/33/83/73/541338373.db2.gz AFUAIFHMSMSZFS-ZIAGYGMSSA-N 1 0 233.311 1.907 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CC([C@H](C)[NH3+])C1 ZINC000725271269 541339696 /nfs/dbraw/zinc/33/96/96/541339696.db2.gz BBTDUHDOUUATLY-DTWKUNHWSA-N 1 0 213.325 1.020 10 0 BDAERO CN1CC[N@H+](Cc2ccccc2)C[C@@H]1CF ZINC000116056234 370726645 /nfs/dbraw/zinc/72/66/45/370726645.db2.gz OAVAXGZSMPFCPP-ZDUSSCGKSA-N 1 0 222.307 1.772 10 0 BDAERO CCCOc1nccnc1N1CC[C@H]([NH3+])[C@@H]1C ZINC000630513663 364198210 /nfs/dbraw/zinc/19/82/10/364198210.db2.gz FJKOMJLNYGCFMS-UWVGGRQHSA-N 1 0 236.319 1.191 10 0 BDAERO CCc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)nc(C)n1 ZINC000630532341 364222185 /nfs/dbraw/zinc/22/21/85/364222185.db2.gz HXLWSIPHPVBEKC-SKDRFNHKSA-N 1 0 234.347 1.900 10 0 BDAERO Cc1cnc(N[C@H]2CC[C@@H](C)[NH2+]C2)nc1C ZINC000630532278 364222407 /nfs/dbraw/zinc/22/24/07/364222407.db2.gz HGWXHDCOIJIAQP-KOLCDFICSA-N 1 0 220.320 1.646 10 0 BDAERO [NH3+]C1(CN=c2[nH]c3ccccc3o2)CCOCC1 ZINC000630524530 364210804 /nfs/dbraw/zinc/21/08/04/364210804.db2.gz QQUHWFGZAWACDB-UHFFFAOYSA-N 1 0 247.298 1.170 10 0 BDAERO Cc1cccc(NCC2([NH3+])CCOCC2)n1 ZINC000630526421 364213481 /nfs/dbraw/zinc/21/34/81/364213481.db2.gz LCBGDKOOJRPXPQ-UHFFFAOYSA-N 1 0 221.304 1.310 10 0 BDAERO C[C@H]1CC[C@@H](Nc2ccc(F)cn2)C[NH2+]1 ZINC000630535396 364231418 /nfs/dbraw/zinc/23/14/18/364231418.db2.gz UZIIPATWFNOLQY-WCBMZHEXSA-N 1 0 209.268 1.773 10 0 BDAERO CCC[C@H](CCO)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000631670917 364241860 /nfs/dbraw/zinc/24/18/60/364241860.db2.gz XMNPQIGPTPRWJO-XQHKEYJVSA-N 1 0 241.375 1.941 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630554991 364253368 /nfs/dbraw/zinc/25/33/68/364253368.db2.gz XUAABQKMNLSTFY-PWSUYJOCSA-N 1 0 248.374 1.939 10 0 BDAERO C[C@H]1CN(c2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000630555012 364253630 /nfs/dbraw/zinc/25/36/30/364253630.db2.gz XZSFWANMSZWGMR-WDEREUQCSA-N 1 0 244.342 1.604 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1nc2ccccc2n1C ZINC000630559177 364259740 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/nfs/dbraw/zinc/37/04/17/181370417.db2.gz VDRKTTOANXXOKX-UHFFFAOYSA-N 1 0 200.241 1.766 10 0 BDAERO [NH3+]CCC1(c2ccc(F)c(F)c2)OCCO1 ZINC000049821329 181370738 /nfs/dbraw/zinc/37/07/38/181370738.db2.gz VVJCRDJGMJEUAR-UHFFFAOYSA-N 1 0 229.226 1.513 10 0 BDAERO CC[N@H+](C[C@H](C)OC)CC1(O)CCC1 ZINC000361574690 169894745 /nfs/dbraw/zinc/89/47/45/169894745.db2.gz ZTVXMTIOWXRUJL-JTQLQIEISA-N 1 0 201.310 1.258 10 0 BDAERO [NH3+]CCCC(=O)Nc1ccccc1-n1ccnc1 ZINC000037006895 181374404 /nfs/dbraw/zinc/37/44/04/181374404.db2.gz NGTABRAGWAFNOU-UHFFFAOYSA-N 1 0 244.298 1.550 10 0 BDAERO [NH3+]CCCCOC(F)(F)C(F)(F)F ZINC000091252261 181377868 /nfs/dbraw/zinc/37/78/68/181377868.db2.gz DXNRNKPOITULPQ-UHFFFAOYSA-N 1 0 207.142 1.897 10 0 BDAERO c1cc2c(s1)CC[NH2+]C21CCOCC1 ZINC000212397787 541421334 /nfs/dbraw/zinc/42/13/34/541421334.db2.gz VUGJFGIQKQLFIY-UHFFFAOYSA-N 1 0 209.314 1.900 10 0 BDAERO C[C@H](C(=O)N1CC2(C1)CC[NH2+]C2)C(C)(C)C ZINC000675053817 541432512 /nfs/dbraw/zinc/43/25/12/541432512.db2.gz 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BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1ccncc1 ZINC000384406300 367689495 /nfs/dbraw/zinc/68/94/95/367689495.db2.gz QDKVUTAEOMFVIU-YPMHNXCESA-N 1 0 247.342 1.128 10 0 BDAERO CCCN(C(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000384456230 367692880 /nfs/dbraw/zinc/69/28/80/367692880.db2.gz JFEDLZQRLDDPJL-CMPLNLGQSA-N 1 0 224.348 1.776 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384608650 367707607 /nfs/dbraw/zinc/70/76/07/367707607.db2.gz OQMWVJHORRKAOV-FVCCEPFGSA-N 1 0 226.364 1.626 10 0 BDAERO COC(C)(C)CC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384832705 367738770 /nfs/dbraw/zinc/73/87/70/367738770.db2.gz HCIBSKBXNFPYPL-MNOVXSKESA-N 1 0 215.337 1.647 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1Sc1ncccn1 ZINC000035722215 181433022 /nfs/dbraw/zinc/43/30/22/181433022.db2.gz YSGIBPRKZKAIGJ-DTWKUNHWSA-N 1 0 209.318 1.696 10 0 BDAERO [NH3+]C[C@@H]1CCN(c2cc(F)c(F)cc2F)C1 ZINC000061094275 181433986 /nfs/dbraw/zinc/43/39/86/181433986.db2.gz GNUBFDRFGTZGTD-ZETCQYMHSA-N 1 0 230.233 1.889 10 0 BDAERO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCNC1=O ZINC000385134034 367797904 /nfs/dbraw/zinc/79/79/04/367797904.db2.gz LGRSCHNCPPCPLK-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCCNC1=O ZINC000385134036 367798433 /nfs/dbraw/zinc/79/84/33/367798433.db2.gz LGRSCHNCPPCPLK-VHSXEESVSA-N 1 0 212.337 1.679 10 0 BDAERO OC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)C1CCCCC1 ZINC000386149545 367921368 /nfs/dbraw/zinc/92/13/68/367921368.db2.gz IMEHCOFMKKLEML-HZSPNIEDSA-N 1 0 241.375 1.821 10 0 BDAERO CCCN(CC(F)F)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000386587397 367997490 /nfs/dbraw/zinc/99/74/90/367997490.db2.gz UMSBPBUZAFEWOT-VHSXEESVSA-N 1 0 248.317 1.878 10 0 BDAERO Cc1cnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc1C ZINC000386509034 367982910 /nfs/dbraw/zinc/98/29/10/367982910.db2.gz VPHDGDNRAHTDCW-NEPJUHHUSA-N 1 0 232.331 1.282 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CC(F)F)C1CC1 ZINC000387103033 368050686 /nfs/dbraw/zinc/05/06/86/368050686.db2.gz XNLPWFOJGYJMMU-WPRPVWTQSA-N 1 0 246.301 1.631 10 0 BDAERO CCCN(c1ncc(C)c(C)n1)[C@@H]1CC[NH2+]C1 ZINC000386665309 368007486 /nfs/dbraw/zinc/00/74/86/368007486.db2.gz NCGIUMZQMGXQQY-GFCCVEGCSA-N 1 0 234.347 1.672 10 0 BDAERO Cc1cnc(C)c(N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000386698733 368010924 /nfs/dbraw/zinc/01/09/24/368010924.db2.gz PPXJQNYEGFLPCU-BETUJISGSA-N 1 0 246.358 1.529 10 0 BDAERO Cc1cnc(N2CCC[C@@H](CC[NH3+])C2)nc1C ZINC000386712963 368011888 /nfs/dbraw/zinc/01/18/88/368011888.db2.gz XNRWEMBBHDCWKW-LBPRGKRZSA-N 1 0 234.347 1.659 10 0 BDAERO C[C@@H]1CN([C@](C)(C[NH3+])C2CC2)CCS1 ZINC000252980008 368176915 /nfs/dbraw/zinc/17/69/15/368176915.db2.gz KJAZABMGTKFCCB-MWLCHTKSSA-N 1 0 214.378 1.551 10 0 BDAERO C[C@@H]1CN(C[C@H]2CSCC[NH2+]2)CCS1 ZINC000252982793 368178247 /nfs/dbraw/zinc/17/82/47/368178247.db2.gz YAHFPBPVFDNRRC-ZJUUUORDSA-N 1 0 232.418 1.129 10 0 BDAERO O=[S@](C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000215009523 368138968 /nfs/dbraw/zinc/13/89/68/368138968.db2.gz STKYNYRFLLQBPT-QMTHXVAHSA-N 1 0 209.314 1.404 10 0 BDAERO CN[C@H](C[NH3+])c1ccc(Br)c(F)c1 ZINC000161388506 368141924 /nfs/dbraw/zinc/14/19/24/368141924.db2.gz ZUMWLCGNDNBBNM-SECBINFHSA-N 1 0 247.111 1.807 10 0 BDAERO [NH3+]CC[C@H]1CCc2ccc3c(c21)NC(=O)CO3 ZINC000038284414 368325585 /nfs/dbraw/zinc/32/55/85/368325585.db2.gz ACHJSSRFPVKVIM-SECBINFHSA-N 1 0 232.283 1.396 10 0 BDAERO O=C1N[C@@H](c2ccccc2)CC12CC[NH2+]CC2 ZINC000141753697 368347918 /nfs/dbraw/zinc/34/79/18/368347918.db2.gz CCDRLYUESSUURT-GFCCVEGCSA-N 1 0 230.311 1.617 10 0 BDAERO O=C1OC[C@H](c2ccccc2)N1C1CC[NH2+]CC1 ZINC000144106786 368349369 /nfs/dbraw/zinc/34/93/69/368349369.db2.gz ONASBZCKEKLGPB-CYBMUJFWSA-N 1 0 246.310 1.932 10 0 BDAERO C[NH+](C)CCCNc1ccnc(Cl)c1N ZINC000048524194 368377347 /nfs/dbraw/zinc/37/73/47/368377347.db2.gz SHXNGKMDEFWOFT-UHFFFAOYSA-N 1 0 228.727 1.681 10 0 BDAERO CC(C)[C@H]([NH3+])CN1CCS[C@@H](C)[C@H]1C ZINC000253085328 368474512 /nfs/dbraw/zinc/47/45/12/368474512.db2.gz ZNLJMYFZEXLFML-OUAUKWLOSA-N 1 0 216.394 1.796 10 0 BDAERO 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OCC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000100282975 183096784 /nfs/dbraw/zinc/09/67/84/183096784.db2.gz ZHYWWSMQDHZFJQ-GJZGRUSLSA-N 1 0 249.354 1.784 10 0 BDAERO OCC[C@H]([NH2+]C1CC1)c1ccc2c(c1)OCCO2 ZINC000095078774 183097093 /nfs/dbraw/zinc/09/70/93/183097093.db2.gz JMSOGDOKTDSMFH-LBPRGKRZSA-N 1 0 249.310 1.633 10 0 BDAERO OC[C@@H]([NH2+]C1CC1)c1ccc(F)c(F)c1 ZINC000038124207 183107893 /nfs/dbraw/zinc/10/78/93/183107893.db2.gz GGEHMLKHWQTVOQ-LLVKDONJSA-N 1 0 213.227 1.750 10 0 BDAERO OC[C@@H]1[NH2+]CCc2cc(Cl)cc(F)c21 ZINC000075737017 183131653 /nfs/dbraw/zinc/13/16/53/183131653.db2.gz DVPKPDGZORGVAC-VIFPVBQESA-N 1 0 215.655 1.658 10 0 BDAERO OC[C@@]1([NH2+]Cc2cccs2)CCSC1 ZINC000038123557 183135029 /nfs/dbraw/zinc/13/50/29/183135029.db2.gz BPLYGTYSUSFZNA-JTQLQIEISA-N 1 0 229.370 1.706 10 0 BDAERO OC[C@@]1(O)CCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000313645150 183135547 /nfs/dbraw/zinc/13/55/47/183135547.db2.gz VFBMNIZMTRAZRD-GHMZBOCLSA-N 1 0 249.301 1.241 10 0 BDAERO OC[C@H](Cc1ccccc1)[NH2+]CCn1cccn1 ZINC000063219215 183138190 /nfs/dbraw/zinc/13/81/90/183138190.db2.gz KFVQUGRIODBVBJ-AWEZNQCLSA-N 1 0 245.326 1.076 10 0 BDAERO OC[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000132257964 183140016 /nfs/dbraw/zinc/14/00/16/183140016.db2.gz LRTLEFDXKDOVKW-OCCSQVGLSA-N 1 0 234.343 1.309 10 0 BDAERO OC[C@H]1C[NH2+]CCN1Cc1ccccc1Cl ZINC000062620199 183155300 /nfs/dbraw/zinc/15/53/00/183155300.db2.gz KGVPZZKZDCBBIM-LLVKDONJSA-N 1 0 240.734 1.106 10 0 BDAERO CCCN(C(=O)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000037653885 169040263 /nfs/dbraw/zinc/04/02/63/169040263.db2.gz PXMRDACKMGBPDQ-JTQLQIEISA-N 1 0 212.337 1.633 10 0 BDAERO OC[C@H]1[NH2+]CCc2cccc(Br)c21 ZINC000083692712 183157046 /nfs/dbraw/zinc/15/70/46/183157046.db2.gz FFXZRYJFPFWVDT-SECBINFHSA-N 1 0 242.116 1.628 10 0 BDAERO CCCN(C(=O)C(C)C)[C@@H]1CCC[NH2+]C1 ZINC000037470218 169040997 /nfs/dbraw/zinc/04/09/97/169040997.db2.gz WQXLZXGXLBFTMM-LLVKDONJSA-N 1 0 212.337 1.633 10 0 BDAERO O[C@@H](C[NH2+]C[C@H]1CCOC1)c1cccc(F)c1 ZINC000038094598 183179530 /nfs/dbraw/zinc/17/95/30/183179530.db2.gz ROSXCECWCHIJIK-MFKMUULPSA-N 1 0 239.290 1.485 10 0 BDAERO OCc1cccc(OC[C@@H]2CC[NH2+]C2)c1 ZINC000051890778 183168095 /nfs/dbraw/zinc/16/80/95/183168095.db2.gz HZSQCZVKXXDRGS-LLVKDONJSA-N 1 0 207.273 1.167 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000037490219 183196492 /nfs/dbraw/zinc/19/64/92/183196492.db2.gz YPKCDAAHIWQBFJ-CHWSQXEVSA-N 1 0 223.291 1.871 10 0 BDAERO O[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000100280037 183201628 /nfs/dbraw/zinc/20/16/28/183201628.db2.gz PVOMPZGPTNECBH-WAAGHKOSSA-N 1 0 241.722 1.523 10 0 BDAERO O[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000306324483 183204252 /nfs/dbraw/zinc/20/42/52/183204252.db2.gz WAPCIJHHTGNTBN-JGVFFNPUSA-N 1 0 215.680 1.936 10 0 BDAERO O[C@@H]1CCC2(C[C@@H]1[NH+]1CCCCC1)OCCO2 ZINC000044119780 183186571 /nfs/dbraw/zinc/18/65/71/183186571.db2.gz FXYIXQRQOKKPPC-NWDGAFQWSA-N 1 0 241.331 1.129 10 0 BDAERO O[C@@H]1CCCCC[C@H]1[NH2+]CCn1cccn1 ZINC000042540586 183187891 /nfs/dbraw/zinc/18/78/91/183187891.db2.gz DIAXPZGPFADUPE-VXGBXAGGSA-N 1 0 223.320 1.166 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000300369492 183188884 /nfs/dbraw/zinc/18/88/84/183188884.db2.gz RJKZPKHOMGGKJP-WUHRBBMRSA-N 1 0 225.332 1.447 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC000084224962 183195255 /nfs/dbraw/zinc/19/52/55/183195255.db2.gz HYHRYHJRMHYRRQ-GHMZBOCLSA-N 1 0 211.330 1.999 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000216425520 183195815 /nfs/dbraw/zinc/19/58/15/183195815.db2.gz RHJQDJXBSTYYLS-RWMBFGLXSA-N 1 0 233.311 1.493 10 0 BDAERO O[C@@]1(c2ccc3[nH]ccc3n2)CCC[NH2+]C1 ZINC000089221314 183217501 /nfs/dbraw/zinc/21/75/01/183217501.db2.gz RUHQBFAOBLGLGF-LBPRGKRZSA-N 1 0 217.272 1.134 10 0 BDAERO O[C@@]1(c2ccccc2Cl)CCC[NH2+]C1 ZINC000071518431 183217863 /nfs/dbraw/zinc/21/78/63/183217863.db2.gz CZIYVBVILFQDFZ-NSHDSACASA-N 1 0 211.692 1.911 10 0 BDAERO O[C@@]1(c2cc(F)cc(F)c2)CCC[NH2+]C1 ZINC000071518696 183218117 /nfs/dbraw/zinc/21/81/17/183218117.db2.gz QXQGZMHCWADXMT-NSHDSACASA-N 1 0 213.227 1.536 10 0 BDAERO O[C@H](C[NH2+]Cc1ccncc1)c1cccs1 ZINC000033465178 183224081 /nfs/dbraw/zinc/22/40/81/183224081.db2.gz UAEFFRDTBZINNG-LLVKDONJSA-N 1 0 234.324 1.966 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000042540583 183231232 /nfs/dbraw/zinc/23/12/32/183231232.db2.gz DIAXPZGPFADUPE-RYUDHWBXSA-N 1 0 223.320 1.166 10 0 BDAERO CCCN(C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226430 169086548 /nfs/dbraw/zinc/08/65/48/169086548.db2.gz VILUGXIUAPHXBI-NSHDSACASA-N 1 0 236.315 1.757 10 0 BDAERO O[C@H](c1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000011630797 183229763 /nfs/dbraw/zinc/22/97/63/183229763.db2.gz LKPSSJHDSMHEOF-AWEZNQCLSA-N 1 0 249.310 1.491 10 0 BDAERO O[C@H](c1ccncc1)[C@@H]1CC2CC[NH+]1CC2 ZINC000029485754 183230289 /nfs/dbraw/zinc/23/02/89/183230289.db2.gz AFXCHJUBHGTMHM-QWHCGFSZSA-N 1 0 218.300 1.599 10 0 BDAERO O[C@@]1(Cc2cccc(Cl)c2)CCC[NH2+]C1 ZINC000071532587 183216359 /nfs/dbraw/zinc/21/63/59/183216359.db2.gz BZRSNJDSWXLBTQ-GFCCVEGCSA-N 1 0 225.719 1.997 10 0 BDAERO CCCN(CC)C(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000037095326 169115880 /nfs/dbraw/zinc/11/58/80/169115880.db2.gz GPZPIGKHHYYICF-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO CCCN(CC)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309209 169116719 /nfs/dbraw/zinc/11/67/19/169116719.db2.gz MCLREDNYDBWHFI-GHMZBOCLSA-N 1 0 212.337 1.620 10 0 BDAERO CCC[N@H+](CC)CC[C@H](NC(C)C)C(=O)OC ZINC000062447216 169123392 /nfs/dbraw/zinc/12/33/92/169123392.db2.gz LAQFDRQBHRFKSJ-LBPRGKRZSA-N 1 0 244.379 1.648 10 0 BDAERO O[C@]1(c2ccc3[nH]ccc3n2)CCC[NH2+]C1 ZINC000089221317 183251593 /nfs/dbraw/zinc/25/15/93/183251593.db2.gz RUHQBFAOBLGLGF-GFCCVEGCSA-N 1 0 217.272 1.134 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@H+](CCc1cn[nH]c1)CC2 ZINC000310989080 183253442 /nfs/dbraw/zinc/25/34/42/183253442.db2.gz VFBGJFNUTOHMHV-KBPBESRZSA-N 1 0 249.358 1.579 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccccn1 ZINC000084231674 183237594 /nfs/dbraw/zinc/23/75/94/183237594.db2.gz PFYLTKGUQGOBCG-JQWIXIFHSA-N 1 0 206.289 1.332 10 0 BDAERO CCC[N@H+](Cc1ccccc1N)[C@H](C)C(N)=O ZINC000035365243 169177227 /nfs/dbraw/zinc/17/72/27/169177227.db2.gz ZVZAPDUTVPBKAJ-SNVBAGLBSA-N 1 0 235.331 1.355 10 0 BDAERO CCC[N@H+](Cc1ccccc1N)[C@@H](C)C(N)=O ZINC000035365242 169177907 /nfs/dbraw/zinc/17/79/07/169177907.db2.gz ZVZAPDUTVPBKAJ-JTQLQIEISA-N 1 0 235.331 1.355 10 0 BDAERO CCCN(CC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000032090016 169157751 /nfs/dbraw/zinc/15/77/51/169157751.db2.gz ZSSISRWPVNPOHA-UHFFFAOYSA-N 1 0 236.315 1.586 10 0 BDAERO CCCN(CCO)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901986 169167434 /nfs/dbraw/zinc/16/74/34/169167434.db2.gz PSAQIFNEULFQNO-TZMCWYRMSA-N 1 0 236.359 1.779 10 0 BDAERO Oc1cccnc1OCC[C@@H]1CCCC[NH2+]1 ZINC000095073851 183304555 /nfs/dbraw/zinc/30/45/55/183304555.db2.gz QZCGMWMCIIEXQV-JTQLQIEISA-N 1 0 222.288 1.698 10 0 BDAERO CCC[N@H+](CC[C@H](NC)C(=O)OCC)C(C)C ZINC000062446620 169171008 /nfs/dbraw/zinc/17/10/08/169171008.db2.gz BNUUNBOGVQNBCN-LBPRGKRZSA-N 1 0 244.379 1.648 10 0 BDAERO Oc1cccnc1OC[C@@H]1CCC[NH2+]C1 ZINC000095073846 183305317 /nfs/dbraw/zinc/30/53/17/183305317.db2.gz IYPVFJQKPPJOOB-SECBINFHSA-N 1 0 208.261 1.166 10 0 BDAERO CCCN([C@@H](C)CC(=O)OCC)[C@H]1CC[NH2+]C1 ZINC000071332312 169181140 /nfs/dbraw/zinc/18/11/40/169181140.db2.gz MMEBSPIWAAORGX-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CCC[NH+]1CCC(Nc2ncc(N)cn2)CC1 ZINC000049554979 169190095 /nfs/dbraw/zinc/19/00/95/169190095.db2.gz JWNXEDMMBZKWST-UHFFFAOYSA-N 1 0 235.335 1.345 10 0 BDAERO CCC[NH+]1CCC(n2nccc2N)CC1 ZINC000019689334 169191634 /nfs/dbraw/zinc/19/16/34/169191634.db2.gz GYQVRGSJLABOBD-UHFFFAOYSA-N 1 0 208.309 1.512 10 0 BDAERO c1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)on1 ZINC000267343003 183344683 /nfs/dbraw/zinc/34/46/83/183344683.db2.gz LWEUMDUZQDHWLU-NSHDSACASA-N 1 0 221.304 1.345 10 0 BDAERO CCC[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000105892413 169205680 /nfs/dbraw/zinc/20/56/80/169205680.db2.gz RIIZTIOJEFCGPL-GFCCVEGCSA-N 1 0 223.320 1.302 10 0 BDAERO c1cc(N2CCCC2)cc(C[C@@H]2CCC[NH2+]2)n1 ZINC000034444902 183356330 /nfs/dbraw/zinc/35/63/30/183356330.db2.gz YMMIOBGUVVBKIW-LBPRGKRZSA-N 1 0 231.343 1.976 10 0 BDAERO CCC[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@H]23 ZINC000039287373 169256465 /nfs/dbraw/zinc/25/64/65/169256465.db2.gz AEQAHOSOCKPKPG-RISCZKNCSA-N 1 0 244.338 1.639 10 0 BDAERO CCC[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@@H]23 ZINC000039287375 169257397 /nfs/dbraw/zinc/25/73/97/169257397.db2.gz AEQAHOSOCKPKPG-SMDDNHRTSA-N 1 0 244.338 1.639 10 0 BDAERO CCC[NH2+]CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000054267987 169258045 /nfs/dbraw/zinc/25/80/45/169258045.db2.gz WWJODWKKLHAJLT-GHMZBOCLSA-N 1 0 238.331 1.161 10 0 BDAERO CCC[NH2+]CCNC(=O)OC(C)(C)C ZINC000034410440 169258609 /nfs/dbraw/zinc/25/86/09/169258609.db2.gz NYODQEVNDGLFRF-UHFFFAOYSA-N 1 0 202.298 1.511 10 0 BDAERO c1cc(NC2CC[NH2+]CC2)cc2c1OCC2 ZINC000038041280 183368924 /nfs/dbraw/zinc/36/89/24/183368924.db2.gz FZUDBMHBLXKFAK-UHFFFAOYSA-N 1 0 218.300 1.785 10 0 BDAERO CCCNC(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000037757895 169234489 /nfs/dbraw/zinc/23/44/89/169234489.db2.gz MOHFVTWNBKZFOO-UHFFFAOYSA-N 1 0 235.331 1.697 10 0 BDAERO CCCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000038033106 169234806 /nfs/dbraw/zinc/23/48/06/169234806.db2.gz TXESIYQVJJPJAM-UHFFFAOYSA-N 1 0 235.331 1.567 10 0 BDAERO CCCNC(=O)N(C)c1cccc(C[NH3+])c1 ZINC000061950604 169234861 /nfs/dbraw/zinc/23/48/61/169234861.db2.gz WMBMRRBHGCWOOU-UHFFFAOYSA-N 1 0 221.304 1.701 10 0 BDAERO c1cn2c3c1cccc3O[C@H](C1=[NH+]CCN1)C2 ZINC000013518971 183373028 /nfs/dbraw/zinc/37/30/28/183373028.db2.gz OPRSMNJWTUIWQC-NSHDSACASA-N 1 0 227.267 1.404 10 0 BDAERO c1cc2nc(C3CC[NH2+]CC3)ncc2[nH]1 ZINC000089223686 183377647 /nfs/dbraw/zinc/37/76/47/183377647.db2.gz AUORHEMDUVHXOL-UHFFFAOYSA-N 1 0 202.261 1.425 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1ccc(OC)c(F)c1 ZINC000049820788 169262639 /nfs/dbraw/zinc/26/26/39/169262639.db2.gz IVODLYJCFIQRNK-LLVKDONJSA-N 1 0 227.279 1.867 10 0 BDAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049203040 169242126 /nfs/dbraw/zinc/24/21/26/169242126.db2.gz IVCJPVJOLOVGFR-UTUOFQBUSA-N 1 0 242.363 1.184 10 0 BDAERO c1nn(-c2ccccc2)cc1COC1C[NH2+]C1 ZINC000062809831 183386989 /nfs/dbraw/zinc/38/69/89/183386989.db2.gz WRBWHLBWQAFHIJ-UHFFFAOYSA-N 1 0 229.283 1.361 10 0 BDAERO CCC[NH2+]C[C@]1(Cc2cnn(C)c2)CCOC1 ZINC000054664602 169264472 /nfs/dbraw/zinc/26/44/72/169264472.db2.gz VRWPQBSHJBCWLO-CYBMUJFWSA-N 1 0 237.347 1.369 10 0 BDAERO c1ccc(CC[NH2+]C[C@@H]2CCCO2)nc1 ZINC000020049561 183393806 /nfs/dbraw/zinc/39/38/06/183393806.db2.gz KLXKGULMKXCCSO-LBPRGKRZSA-N 1 0 206.289 1.393 10 0 BDAERO CCC[NH2+]Cc1cnn([C@H]2CCC[C@H]2O)c1C ZINC000054599562 169270040 /nfs/dbraw/zinc/27/00/40/169270040.db2.gz AHRQSIXIZPFRRY-QWHCGFSZSA-N 1 0 237.347 1.777 10 0 BDAERO c1ccc(CN2CCO[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000096895844 183401122 /nfs/dbraw/zinc/40/11/22/183401122.db2.gz OISPDIKVTOKAQH-LSDHHAIUSA-N 1 0 246.354 1.639 10 0 BDAERO c1ccc(C[NH+]2C[C@@H]3COC[C@H]3C2)cc1 ZINC000114495784 183402725 /nfs/dbraw/zinc/40/27/25/183402725.db2.gz CVRHDLHYOBFXGB-CHWSQXEVSA-N 1 0 203.285 1.765 10 0 BDAERO CCC[NH2+][C@@H](CC[N@H+](C)CC1CCC1)C(=O)[O-] ZINC000062532407 169278199 /nfs/dbraw/zinc/27/81/99/169278199.db2.gz TWAUZHFWMRIXMN-LBPRGKRZSA-N 1 0 242.363 1.561 10 0 BDAERO CCC[NH2+][C@@H](CC[N@H+](C)CCC(C)C)C(=O)[O-] ZINC000062526185 169278213 /nfs/dbraw/zinc/27/82/13/169278213.db2.gz HESSLGUFPTYSDB-LBPRGKRZSA-N 1 0 244.379 1.807 10 0 BDAERO CCC[NH2+][C@@H]1CCOC[C@H]1n1cnc(C)c1C ZINC000051926622 169282687 /nfs/dbraw/zinc/28/26/87/169282687.db2.gz FBNGDGURXUQTOG-CHWSQXEVSA-N 1 0 237.347 1.830 10 0 BDAERO CCCOC[C@H](O)C[NH+]1CCCCC1 ZINC000002476677 169310130 /nfs/dbraw/zinc/31/01/30/169310130.db2.gz AMPREHRXVCCSPP-LLVKDONJSA-N 1 0 201.310 1.260 10 0 BDAERO c1ccc2[nH]c(OC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000051889194 183435204 /nfs/dbraw/zinc/43/52/04/183435204.db2.gz FIBFRNHUQWNCAE-SECBINFHSA-N 1 0 217.272 1.551 10 0 BDAERO CCCNc1nnc(SCC[NH3+])s1 ZINC000057499612 169296496 /nfs/dbraw/zinc/29/64/96/169296496.db2.gz KELQNIWTEKUWPE-UHFFFAOYSA-N 1 0 218.351 1.411 10 0 BDAERO CCCOc1cccc([C@@H](O)C[NH2+]C)c1 ZINC000032012254 169326009 /nfs/dbraw/zinc/32/60/09/169326009.db2.gz LZAHVRNISJNJLH-LBPRGKRZSA-N 1 0 209.289 1.728 10 0 BDAERO CCC[C@@H](C)[N@H+](C)CCn1cc(N)ccc1=O ZINC000036789896 169365666 /nfs/dbraw/zinc/36/56/66/169365666.db2.gz PNDGJTQTDBXDJC-LLVKDONJSA-N 1 0 237.347 1.551 10 0 BDAERO CCC[C@@H](CC[NH3+])C(=O)NC1CCCC1 ZINC000076585476 169381896 /nfs/dbraw/zinc/38/18/96/169381896.db2.gz HKJDDGLZRUTBCD-JTQLQIEISA-N 1 0 212.337 1.810 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](CCC)CCO ZINC000226680479 169382096 /nfs/dbraw/zinc/38/20/96/169382096.db2.gz HANQEKLDSHZLFE-WDEREUQCSA-N 1 0 230.352 1.029 10 0 BDAERO CCC[C@@H](C[NH3+])N1CCCO[C@H](C)C1 ZINC000061916118 169383579 /nfs/dbraw/zinc/38/35/79/169383579.db2.gz KUCPNRQYCKYACU-MNOVXSKESA-N 1 0 200.326 1.225 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000221023847 134318036 /nfs/dbraw/zinc/31/80/36/134318036.db2.gz RFFKFECHDRMLGS-SDDRHHMPSA-N 1 0 213.321 1.401 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCc1ccco1 ZINC000040824974 169391137 /nfs/dbraw/zinc/39/11/37/169391137.db2.gz LLEADCHFDVVKEN-CMPLNLGQSA-N 1 0 238.331 1.844 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1COc2ccccc21 ZINC000070530632 169392055 /nfs/dbraw/zinc/39/20/55/169392055.db2.gz SYKNHTTZIVRKBG-MNOVXSKESA-N 1 0 234.299 1.364 10 0 BDAERO CCN(CC)CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000181367923 134335942 /nfs/dbraw/zinc/33/59/42/134335942.db2.gz JMMDVLXPGOEYLN-PBWFPOADSA-N 1 0 240.391 1.421 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(N)=O ZINC000309201347 169419437 /nfs/dbraw/zinc/41/94/37/169419437.db2.gz RILIGEYBYFNMMS-AXFHLTTASA-N 1 0 212.337 1.809 10 0 BDAERO CCCc1n[nH]c(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054302110 169591241 /nfs/dbraw/zinc/59/12/41/169591241.db2.gz MENFJGJHVFWQFP-VIFPVBQESA-N 1 0 208.309 1.299 10 0 BDAERO Cc1c(Br)cccc1NC(=O)C[NH3+] ZINC000225374539 134354706 /nfs/dbraw/zinc/35/47/06/134354706.db2.gz RVFVUNSQSALQAF-UHFFFAOYSA-N 1 0 243.104 1.655 10 0 BDAERO O[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000227749423 259633587 /nfs/dbraw/zinc/63/35/87/259633587.db2.gz GFQJVQICVKSDLB-FDYHWXHSSA-N 1 0 227.348 1.431 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+][C@H]2CCCOC2)C1(C)C ZINC000309586017 532976435 /nfs/dbraw/zinc/97/64/35/532976435.db2.gz RTYQTJKKJNZOKF-NNYUYHANSA-N 1 0 227.348 1.815 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCCCC1CCCC1 ZINC000227422407 134380157 /nfs/dbraw/zinc/38/01/57/134380157.db2.gz FGIJIQBSEQTTNE-AAEUAGOBSA-N 1 0 238.375 1.929 10 0 BDAERO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CCCO ZINC000087358181 383828040 /nfs/dbraw/zinc/82/80/40/383828040.db2.gz DIGWGMGIZRQQTK-GHMZBOCLSA-N 1 0 217.353 1.941 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@H]1CF ZINC000088343678 383896549 /nfs/dbraw/zinc/89/65/49/383896549.db2.gz ZXGCINTUKGZONR-HTQZYQBOSA-N 1 0 218.272 1.069 10 0 BDAERO [NH3+][C@H]1CCN(CC(=O)c2cccc(F)c2)C1 ZINC000050242295 383986471 /nfs/dbraw/zinc/98/64/71/383986471.db2.gz DAZHOBMAFDFNGO-NSHDSACASA-N 1 0 222.263 1.041 10 0 BDAERO CC[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643614352 383998629 /nfs/dbraw/zinc/99/86/29/383998629.db2.gz SYXFASYARWTODR-NEPJUHHUSA-N 1 0 240.347 1.014 10 0 BDAERO F[C@H]1C[NH2+]CC[C@H]1c1cnc2cc[nH]c2c1 ZINC000089221403 383950115 /nfs/dbraw/zinc/95/01/15/383950115.db2.gz KIMMHNAWPZBNKO-UWVGGRQHSA-N 1 0 219.263 1.978 10 0 BDAERO c1cnc2nc(N3CC[NH2+]CC3)sc2c1 ZINC000089229387 383951079 /nfs/dbraw/zinc/95/10/79/383951079.db2.gz HQMNUDXHVWGNNK-UHFFFAOYSA-N 1 0 220.301 1.101 10 0 BDAERO C(C[C@@H]1CCOC1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000401128494 383965526 /nfs/dbraw/zinc/96/55/26/383965526.db2.gz OUHOZNKJUUBKNO-ZIAGYGMSSA-N 1 0 238.375 1.583 10 0 BDAERO Cc1ccc([C@@H]([NH3+])[C@H]2COCCO2)s1 ZINC000055298800 383969035 /nfs/dbraw/zinc/96/90/35/383969035.db2.gz POOIGDLVBFMTNJ-SCZZXKLOSA-N 1 0 213.302 1.472 10 0 BDAERO Cc1ccoc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113225060 383969357 /nfs/dbraw/zinc/96/93/57/383969357.db2.gz JYXBZEBOSNBQKD-RYUDHWBXSA-N 1 0 248.326 1.897 10 0 BDAERO O=C(Nc1cccc(F)c1)[C@H]1C[NH2+]CCOC1 ZINC000643614509 384016395 /nfs/dbraw/zinc/01/63/95/384016395.db2.gz ALSNOJGUINJQRF-VIFPVBQESA-N 1 0 238.262 1.000 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2C[NH2+]CCOC2)c1C ZINC000643615154 384016597 /nfs/dbraw/zinc/01/65/97/384016597.db2.gz WOMXVWLJECGLRR-LBPRGKRZSA-N 1 0 248.326 1.478 10 0 BDAERO CO[C@@H]1CCC[C@H]1NC1=[NH+]CCS1 ZINC000050375876 384009308 /nfs/dbraw/zinc/00/93/08/384009308.db2.gz YIFKTVFHEKGVKO-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO Cn1ccc2c1nccc2O[C@H]1CC[NH2+]C1 ZINC000090397872 384044941 /nfs/dbraw/zinc/04/49/41/384044941.db2.gz BPMZMNWLFKLKHY-VIFPVBQESA-N 1 0 217.272 1.314 10 0 BDAERO Cc1ccc(NC(=O)[C@@H](C)[NH2+]C[C@@H](C)O)cc1 ZINC000070205011 384086489 /nfs/dbraw/zinc/08/64/89/384086489.db2.gz CNCAGZWGERLGST-GHMZBOCLSA-N 1 0 236.315 1.292 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070256964 384096273 /nfs/dbraw/zinc/09/62/73/384096273.db2.gz AYMPIXVGANTVJG-CMPLNLGQSA-N 1 0 236.359 1.681 10 0 BDAERO COC(=O)c1cc(C[NH+](C)C)ccc1N ZINC000039087063 384101447 /nfs/dbraw/zinc/10/14/47/384101447.db2.gz CSYARJZNINLAPY-UHFFFAOYSA-N 1 0 208.261 1.117 10 0 BDAERO FC(F)(F)C(F)(F)OC[C@H]1CCC[NH2+]1 ZINC000091252386 384112324 /nfs/dbraw/zinc/11/23/24/384112324.db2.gz QCBAZMVMKIOSFG-RXMQYKEDSA-N 1 0 219.153 1.910 10 0 BDAERO C[C@H](CO)Oc1ccccc1CCC[NH3+] ZINC000091301774 384114241 /nfs/dbraw/zinc/11/42/41/384114241.db2.gz UDAHMACSXACZAX-SNVBAGLBSA-N 1 0 209.289 1.338 10 0 BDAERO C[C@@H]([NH3+])CNC(=O)OCc1ccccc1 ZINC000039952285 384124815 /nfs/dbraw/zinc/12/48/15/384124815.db2.gz HVQKTRVTQIMUEL-SECBINFHSA-N 1 0 208.261 1.260 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](CCn3cccn3)C2)cn1 ZINC000116315233 384128993 /nfs/dbraw/zinc/12/89/93/384128993.db2.gz NGYFYCBWQDSUSZ-LBPRGKRZSA-N 1 0 245.330 1.106 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](Cc3cccnc3)C2)cn1 ZINC000116320874 384129259 /nfs/dbraw/zinc/12/92/59/384129259.db2.gz HXHOLNRCTNNVOY-ZDUSSCGKSA-N 1 0 242.326 1.805 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](C/C=C/Cl)C2)cn1 ZINC000116408023 384132956 /nfs/dbraw/zinc/13/29/56/384132956.db2.gz GLDTVIIBEYGXPI-XCRNYIDWSA-N 1 0 225.723 1.962 10 0 BDAERO CNc1cc(C)nc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)n1 ZINC000091997824 384158021 /nfs/dbraw/zinc/15/80/21/384158021.db2.gz UCYWJGHIUALCCO-MNOVXSKESA-N 1 0 247.346 1.000 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC000309636587 384141320 /nfs/dbraw/zinc/14/13/20/384141320.db2.gz MWFFNDDAWBMBPR-GMKTYKIGSA-N 1 0 225.332 1.449 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCc3ccoc3)C[C@@H]12 ZINC000186924746 384171808 /nfs/dbraw/zinc/17/18/08/384171808.db2.gz BWZWWJVANFVCRA-YNEHKIRRSA-N 1 0 248.326 1.408 10 0 BDAERO CC(C)[C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000081060312 384180760 /nfs/dbraw/zinc/18/07/60/384180760.db2.gz OGYIIPLHRUFOAT-GMTAPVOTSA-N 1 0 212.337 1.250 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000227892526 134398128 /nfs/dbraw/zinc/39/81/28/134398128.db2.gz HMTNHUZOSUZWLE-XQQFMLRXSA-N 1 0 229.364 1.942 10 0 BDAERO CCN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643637349 384230701 /nfs/dbraw/zinc/23/07/01/384230701.db2.gz NSMMVIJBBCETML-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO COCCC1(C(=O)N(C)C2CC2)CC[NH2+]CC1 ZINC000643637744 384233003 /nfs/dbraw/zinc/23/30/03/384233003.db2.gz SLPLYGYZVNDMTL-UHFFFAOYSA-N 1 0 240.347 1.014 10 0 BDAERO Clc1cncnc1NCC1CC[NH2+]CC1 ZINC000163673929 384229108 /nfs/dbraw/zinc/22/91/08/384229108.db2.gz NDCQWPVXWLXDQJ-UHFFFAOYSA-N 1 0 226.711 1.542 10 0 BDAERO Cc1cc(C)n(CC[N@H+]2CCC[C@H](O)[C@H]2C)n1 ZINC000335374948 384245108 /nfs/dbraw/zinc/24/51/08/384245108.db2.gz DIYPLFMBRPWHNF-OLZOCXBDSA-N 1 0 237.347 1.345 10 0 BDAERO CCCCN(C(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000643643279 384273848 /nfs/dbraw/zinc/27/38/48/384273848.db2.gz ABOFLENTSUITMG-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO Cc1cc(NC[C@@H]2CCCC[C@@H]2O)ncn1 ZINC000082997376 384273910 /nfs/dbraw/zinc/27/39/10/384273910.db2.gz JJUONEWWXYEEGN-QWRGUYRKSA-N 1 0 221.304 1.748 10 0 BDAERO COc1cc(C)nc(N[C@@H](C)CCCC[NH3+])n1 ZINC000310425769 384311216 /nfs/dbraw/zinc/31/12/16/384311216.db2.gz PAPOVMIAOYVIDX-VIFPVBQESA-N 1 0 238.335 1.723 10 0 BDAERO CC(C)(C)OC(=O)N1CC[NH2+]C2(CC2)CC1 ZINC000097758737 384282727 /nfs/dbraw/zinc/28/27/27/384282727.db2.gz VUYDVTFVLINJQX-UHFFFAOYSA-N 1 0 226.320 1.749 10 0 BDAERO OC1(CC[N@@H+]2CCN3CCCC[C@H]3C2)CCC1 ZINC000335473922 384289424 /nfs/dbraw/zinc/28/94/24/384289424.db2.gz DEAKNXIVALJYCV-ZDUSSCGKSA-N 1 0 238.375 1.462 10 0 BDAERO CC[C@@H](O)C[NH+]1CCN(CCCSC)CC1 ZINC000174081934 384299839 /nfs/dbraw/zinc/29/98/39/384299839.db2.gz AWPQQZQDYWUJNH-GFCCVEGCSA-N 1 0 246.420 1.128 10 0 BDAERO Clc1nccc(CNC[C@H]2CCC[NH2+]C2)n1 ZINC000095070139 384335067 /nfs/dbraw/zinc/33/50/67/384335067.db2.gz HKGYMIDMXSFBAG-VIFPVBQESA-N 1 0 240.738 1.219 10 0 BDAERO Clc1cc(OC[C@@H]2CCC[NH2+]2)ncn1 ZINC000095069825 384335145 /nfs/dbraw/zinc/33/51/45/384335145.db2.gz OZTDAMWJNDVZBN-ZETCQYMHSA-N 1 0 213.668 1.261 10 0 BDAERO C[C@@H]1CN(c2nc3ccccc3nc2N)CC[NH2+]1 ZINC000095069519 384335292 /nfs/dbraw/zinc/33/52/92/384335292.db2.gz BKZCMWHKDGBINW-SECBINFHSA-N 1 0 243.314 1.010 10 0 BDAERO Clc1ncc(CNC[C@H]2CC[NH2+]C2)s1 ZINC000095070203 384336327 /nfs/dbraw/zinc/33/63/27/384336327.db2.gz HAHSJENMPRBAGR-ZETCQYMHSA-N 1 0 231.752 1.496 10 0 BDAERO Clc1ncc(CO[C@@H]2CC[NH2+]C2)c(Cl)n1 ZINC000095070205 384337240 /nfs/dbraw/zinc/33/72/40/384337240.db2.gz GDDMYNNDPIKYOJ-SSDOTTSWSA-N 1 0 248.113 1.662 10 0 BDAERO Clc1nccc(NC[C@H]2CCC[NH2+]2)n1 ZINC000095070326 384337287 /nfs/dbraw/zinc/33/72/87/384337287.db2.gz FHSQMNRYDVAQFJ-SSDOTTSWSA-N 1 0 212.684 1.294 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1ccnc(Cl)n1 ZINC000095070782 384338417 /nfs/dbraw/zinc/33/84/17/384338417.db2.gz CSHSSTZOHARLNH-VIFPVBQESA-N 1 0 240.738 1.708 10 0 BDAERO CN(Cc1cncs1)C[C@H]1CCC[NH2+]C1 ZINC000095071157 384338881 /nfs/dbraw/zinc/33/88/81/384338881.db2.gz GOVTURHONCZKSA-JTQLQIEISA-N 1 0 225.361 1.575 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095070817 384338903 /nfs/dbraw/zinc/33/89/03/384338903.db2.gz BDVRVIBUPVLQPE-SNVBAGLBSA-N 1 0 206.293 1.055 10 0 BDAERO Cc1ccc(N(C)C[C@@H]2CCCC[NH2+]2)nc1 ZINC000095070788 384339458 /nfs/dbraw/zinc/33/94/58/384339458.db2.gz CMFZYLMQKRUNOC-LBPRGKRZSA-N 1 0 219.332 1.968 10 0 BDAERO COc1nccnc1COCC1CC[NH2+]CC1 ZINC000095071651 384341444 /nfs/dbraw/zinc/34/14/44/384341444.db2.gz IWZYGMGDMDTBTK-UHFFFAOYSA-N 1 0 237.303 1.001 10 0 BDAERO Nc1nc2ccccc2nc1N1CCC[C@H]1C[NH3+] ZINC000095072607 384342859 /nfs/dbraw/zinc/34/28/59/384342859.db2.gz REISTLQSKCFNPK-VIFPVBQESA-N 1 0 243.314 1.140 10 0 BDAERO CC[C@H](C)[C@@H](C)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643652434 384343048 /nfs/dbraw/zinc/34/30/48/384343048.db2.gz RVUOSRLHTVZLLJ-LOWVWBTDSA-N 1 0 242.363 1.306 10 0 BDAERO [NH3+]CC1CCN(c2ncc(Cl)cn2)CC1 ZINC000095072692 384343657 /nfs/dbraw/zinc/34/36/57/384343657.db2.gz DPMFEWUMWQVFEP-UHFFFAOYSA-N 1 0 226.711 1.305 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000075767746 384344431 /nfs/dbraw/zinc/34/44/31/384344431.db2.gz HHWDWTLOEXKDRO-SNVBAGLBSA-N 1 0 240.734 1.939 10 0 BDAERO O=C(CNC[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000095072783 384345605 /nfs/dbraw/zinc/34/56/05/384345605.db2.gz ZODRRPJNCSDAOK-VIFPVBQESA-N 1 0 224.329 1.272 10 0 BDAERO O=C(COC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072884 384345890 /nfs/dbraw/zinc/34/58/90/384345890.db2.gz CEDKRRBPKAQRJF-JTQLQIEISA-N 1 0 223.272 1.479 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1Cc1ccc(OC)cc1 ZINC000095075910 384350488 /nfs/dbraw/zinc/35/04/88/384350488.db2.gz QHCSSFRATZCLDF-GXTWGEPZSA-N 1 0 235.327 1.862 10 0 BDAERO FC(F)(F)NC[C@@H]1CCC[N@@H+](C2CC2)C1 ZINC000095077058 384352514 /nfs/dbraw/zinc/35/25/14/384352514.db2.gz MRAWPDMZZOGBSI-QMMMGPOBSA-N 1 0 222.254 1.970 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)c1nccs1 ZINC000095077418 384352981 /nfs/dbraw/zinc/35/29/81/384352981.db2.gz PAYYNBKAOYZDQX-RKDXNWHRSA-N 1 0 239.344 1.185 10 0 BDAERO c1cnc(OCCC[C@H]2CCC[NH2+]C2)cn1 ZINC000095092525 384362977 /nfs/dbraw/zinc/36/29/77/384362977.db2.gz CRWHLXYBABPSLT-LLVKDONJSA-N 1 0 221.304 1.635 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)nc1 ZINC000335596324 384365691 /nfs/dbraw/zinc/36/56/91/384365691.db2.gz LPKMTKNZSFHHTC-QWRGUYRKSA-N 1 0 233.315 1.717 10 0 BDAERO Cn1nccc1[C@@H]1[C@H](C[NH3+])CCCN1C1CC1 ZINC000159907325 384369994 /nfs/dbraw/zinc/36/99/94/384369994.db2.gz CLQJJIMBCJTEAB-GWCFXTLKSA-N 1 0 234.347 1.294 10 0 BDAERO [NH3+]CCc1cnc(Br)s1 ZINC000044397256 384330405 /nfs/dbraw/zinc/33/04/05/384330405.db2.gz ZQHIEYDOPOFFGL-UHFFFAOYSA-N 1 0 207.096 1.407 10 0 BDAERO c1cnc2[nH]c(O[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095068065 384330985 /nfs/dbraw/zinc/33/09/85/384330985.db2.gz RQSUJXHZUJHGIK-MRVPVSSYSA-N 1 0 218.260 1.089 10 0 BDAERO Cc1ccnc(OCCCC2CC[NH2+]CC2)n1 ZINC000095069417 384334321 /nfs/dbraw/zinc/33/43/21/384334321.db2.gz XGCPWNBPSNKLGX-UHFFFAOYSA-N 1 0 235.331 1.944 10 0 BDAERO Cc1cnccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000120978002 384392029 /nfs/dbraw/zinc/39/20/29/384392029.db2.gz KYKABYZFIKGUMM-XVKPBYJWSA-N 1 0 205.261 1.920 10 0 BDAERO c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCSC1)CC2 ZINC000134811036 384422115 /nfs/dbraw/zinc/42/21/15/384422115.db2.gz RSMZHIXRJOVVDF-VHSXEESVSA-N 1 0 238.360 1.078 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1CC=CC1 ZINC000084212603 384377163 /nfs/dbraw/zinc/37/71/63/384377163.db2.gz NSMUPUICJPGQMI-MNOVXSKESA-N 1 0 208.305 1.196 10 0 BDAERO COC[C@@]1(C(=O)N(C)CCC2CC2)CCC[NH2+]1 ZINC000643793412 384454494 /nfs/dbraw/zinc/45/44/94/384454494.db2.gz LSJXNJJJBPXBPH-CYBMUJFWSA-N 1 0 240.347 1.014 10 0 BDAERO CC/C=C(\C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236691 384438612 /nfs/dbraw/zinc/43/86/12/384438612.db2.gz ZSYVXMRPKJTCMR-LTJOXERKSA-N 1 0 208.305 1.163 10 0 BDAERO Cc1nc(CC2(CO)CC[NH2+]CC2)cs1 ZINC000085036875 384468566 /nfs/dbraw/zinc/46/85/66/384468566.db2.gz FXILBRYAPNAHCH-UHFFFAOYSA-N 1 0 226.345 1.356 10 0 BDAERO C[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000149255140 384474355 /nfs/dbraw/zinc/47/43/55/384474355.db2.gz MVZWSLRCUZOVAA-ZYHUDNBSSA-N 1 0 222.332 1.339 10 0 BDAERO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(C)s1 ZINC000643600563 384481211 /nfs/dbraw/zinc/48/12/11/384481211.db2.gz IUQGUYJJLUAJTE-HQJQHLMTSA-N 1 0 238.356 1.784 10 0 BDAERO COc1c(C[NH2+]C[C@@H]2C[C@@H]2C)c(C)nn1C ZINC000136357284 384490835 /nfs/dbraw/zinc/49/08/35/384490835.db2.gz VJXYGAXPVMVQEN-WPRPVWTQSA-N 1 0 223.320 1.483 10 0 BDAERO [NH3+]CCCNc1cc(C(F)(F)F)ccn1 ZINC000085486097 384527990 /nfs/dbraw/zinc/52/79/90/384527990.db2.gz NREGHUCDISGGPH-UHFFFAOYSA-N 1 0 219.210 1.861 10 0 BDAERO c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CCSC1 ZINC000309714447 384556771 /nfs/dbraw/zinc/55/67/71/384556771.db2.gz YGDOCJONNLXZLH-ZJUUUORDSA-N 1 0 238.360 1.456 10 0 BDAERO CCC[C@H](C(=O)NCc1ncccc1C)[NH+](C)C ZINC000162022125 384558185 /nfs/dbraw/zinc/55/81/85/384558185.db2.gz CTNHHSKXHMRNOR-CYBMUJFWSA-N 1 0 249.358 1.737 10 0 BDAERO C[C@H](C[NH2+][C@H](C)c1ccco1)N1CCOCC1 ZINC000123485959 384562065 /nfs/dbraw/zinc/56/20/65/384562065.db2.gz FNPVWWLCLKCKNG-VXGBXAGGSA-N 1 0 238.331 1.651 10 0 BDAERO CC[N@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000085576476 384540590 /nfs/dbraw/zinc/54/05/90/384540590.db2.gz DQQLJUMIXONCNL-LBPRGKRZSA-N 1 0 205.301 1.641 10 0 BDAERO Cc1ccc([C@@H]2C[C@@H](O)[C@](C)(O)C[N@H+]2C)c(C)c1 ZINC000255965901 384570491 /nfs/dbraw/zinc/57/04/91/384570491.db2.gz BXHUHAQDRAWEPJ-RRFJBIMHSA-N 1 0 249.354 1.792 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@H](c2cc(N)n[nH]2)C1 ZINC000258400554 384575730 /nfs/dbraw/zinc/57/57/30/384575730.db2.gz CBWHJJRHQJQVKN-SECBINFHSA-N 1 0 208.309 1.580 10 0 BDAERO CC(C)N1CCCN([C@@H]2CCC[NH2+]C2)C1=O ZINC000257771711 384585370 /nfs/dbraw/zinc/58/53/70/384585370.db2.gz DASDTWPLCYZOSL-LLVKDONJSA-N 1 0 225.336 1.275 10 0 BDAERO Clc1ccc2[nH]c(C3C[NH2+]C3)nc2c1 ZINC000139767386 384628156 /nfs/dbraw/zinc/62/81/56/384628156.db2.gz PMWJUHDXQDRSTC-UHFFFAOYSA-N 1 0 207.664 1.903 10 0 BDAERO CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000309760733 384591892 /nfs/dbraw/zinc/59/18/92/384591892.db2.gz IQYYVKFFMGPGJQ-NXEZZACHSA-N 1 0 220.320 1.371 10 0 BDAERO COc1c(C[N@@H+]2CCC[C@H]2C)c(C)nn1C ZINC000124356888 384635523 /nfs/dbraw/zinc/63/55/23/384635523.db2.gz KFMYGSIFBBLALJ-SECBINFHSA-N 1 0 223.320 1.721 10 0 BDAERO COc1c(C[N@@H+]2CCC[C@@H]2C)c(C)nn1C ZINC000124356648 384635777 /nfs/dbraw/zinc/63/57/77/384635777.db2.gz KFMYGSIFBBLALJ-VIFPVBQESA-N 1 0 223.320 1.721 10 0 BDAERO CO[C@H](C[N@@H+]1CCN2CCCC[C@H]2C1)C1CC1 ZINC000356432763 384642409 /nfs/dbraw/zinc/64/24/09/384642409.db2.gz XETINZWVOOCJGC-UONOGXRCSA-N 1 0 238.375 1.582 10 0 BDAERO COC(=O)C[C@@H]1Oc2ccccc2[C@@H]1[NH3+] ZINC000082162615 384646586 /nfs/dbraw/zinc/64/65/86/384646586.db2.gz JUUWPGXFNPVDEV-ONGXEEELSA-N 1 0 207.229 1.011 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(O)c2)C1 ZINC000082282524 384660163 /nfs/dbraw/zinc/66/01/63/384660163.db2.gz GCNNJAIFCCKIMQ-LLVKDONJSA-N 1 0 234.299 1.168 10 0 BDAERO Cc1c(C[NH2+]CCC(C)(F)F)cnn1C ZINC000294225939 384683603 /nfs/dbraw/zinc/68/36/03/384683603.db2.gz NYRJEBJGKXXTLK-UHFFFAOYSA-N 1 0 217.263 1.863 10 0 BDAERO CN(C)[C@H](C[NH3+])c1c[nH]c2c1cccc2F ZINC000082599010 384696324 /nfs/dbraw/zinc/69/63/24/384696324.db2.gz WYWNCUAKNSAXCL-LLVKDONJSA-N 1 0 221.279 1.868 10 0 BDAERO Cc1ccc2c(c1)[C@@H](NC(=O)C[NH+](C)C)[C@@H](C)C2 ZINC000162858142 384698941 /nfs/dbraw/zinc/69/89/41/384698941.db2.gz TZIBDVOEHHXIGL-NHYWBVRUSA-N 1 0 246.354 1.906 10 0 BDAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000308521704 384774331 /nfs/dbraw/zinc/77/43/31/384774331.db2.gz TUNOOZXBJRRDLI-HBNTYKKESA-N 1 0 201.285 1.893 10 0 BDAERO C[C@H](C[NH3+])CNc1nnc(C(F)F)s1 ZINC000308510551 384774974 /nfs/dbraw/zinc/77/49/74/384774974.db2.gz RUBJATUWTBVFNI-SCSAIBSYSA-N 1 0 222.264 1.482 10 0 BDAERO Cn1c([C@@H]2CC[NH2+]C2)nc2cccnc21 ZINC000082583460 384738661 /nfs/dbraw/zinc/73/86/61/384738661.db2.gz FMEQAOLPKCPCNC-MRVPVSSYSA-N 1 0 202.261 1.045 10 0 BDAERO CCSCC[N@@H+]1CCC[C@@H]1CCCO ZINC000126258792 384752991 /nfs/dbraw/zinc/75/29/91/384752991.db2.gz NBTGYOJANFQXSO-LLVKDONJSA-N 1 0 217.378 1.976 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000061366015 384755486 /nfs/dbraw/zinc/75/54/86/384755486.db2.gz HKCHWMZLPXMCQD-PSASIEDQSA-N 1 0 238.356 1.850 10 0 BDAERO CCn1cncc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000334928006 384755851 /nfs/dbraw/zinc/75/58/51/384755851.db2.gz ZBSHZSURRGJBOO-PWSUYJOCSA-N 1 0 223.320 1.106 10 0 BDAERO N[C@H](C[NH3+])c1c(F)cccc1C(F)(F)F ZINC000072201027 384816935 /nfs/dbraw/zinc/81/69/35/384816935.db2.gz PVMVSSVWEBABDP-SSDOTTSWSA-N 1 0 222.185 1.803 10 0 BDAERO CCn1cncc1C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000335598058 384783990 /nfs/dbraw/zinc/78/39/90/384783990.db2.gz RRHWKJTWYCESLO-ZYHUDNBSSA-N 1 0 223.320 1.248 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000048775716 384790481 /nfs/dbraw/zinc/79/04/81/384790481.db2.gz ZKUWUSFKEUYMHC-ZCFIWIBFSA-N 1 0 214.215 1.511 10 0 BDAERO Nc1nnc(SC[C@@H]2CCC[NH2+]C2)s1 ZINC000043471822 384838317 /nfs/dbraw/zinc/83/83/17/384838317.db2.gz ZRLIZKZEYRUEDE-ZCFIWIBFSA-N 1 0 230.362 1.212 10 0 BDAERO CC[N@H+](C[C@@H](C)OC)C[C@](C)(O)CC ZINC000361558398 384809826 /nfs/dbraw/zinc/80/98/26/384809826.db2.gz HLWZAZJZZISEDI-GHMZBOCLSA-N 1 0 203.326 1.504 10 0 BDAERO O=C1CCCCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000053929778 384811233 /nfs/dbraw/zinc/81/12/33/384811233.db2.gz HOETYDLHHVSXHM-VXGBXAGGSA-N 1 0 225.332 1.593 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)CC(F)F ZINC000648194308 384811714 /nfs/dbraw/zinc/81/17/14/384811714.db2.gz YOLBCDHQLWNZGT-DTWKUNHWSA-N 1 0 236.306 1.767 10 0 BDAERO [NH3+][C@H](CO)c1cccc2c1OC(F)(F)O2 ZINC000072198314 384813828 /nfs/dbraw/zinc/81/38/28/384813828.db2.gz UBERRTSCKPZJOT-ZCFIWIBFSA-N 1 0 217.171 1.000 10 0 BDAERO N[C@H](C[NH3+])c1c(F)cccc1Br ZINC000072201275 384814279 /nfs/dbraw/zinc/81/42/79/384814279.db2.gz DNFBZWKYGBWUSR-SSDOTTSWSA-N 1 0 233.084 1.547 10 0 BDAERO C[Si](C)(C)C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000306309953 384870344 /nfs/dbraw/zinc/87/03/44/384870344.db2.gz LWOCONPVDOWIAN-BDAKNGLRSA-N 1 0 205.349 1.269 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+]C[C@H]1CCSC1)C2 ZINC000376470373 384872200 /nfs/dbraw/zinc/87/22/00/384872200.db2.gz CBAVOUXWDFHGBB-GHMZBOCLSA-N 1 0 237.372 1.541 10 0 BDAERO C[C@H]([NH3+])[C@H](C)N=c1[nH]c2ccccc2[nH]1 ZINC000336097136 384888411 /nfs/dbraw/zinc/88/84/11/384888411.db2.gz SOXJPYCZCCUBAS-YUMQZZPRSA-N 1 0 204.277 1.132 10 0 BDAERO CN(Cc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000043501393 384861631 /nfs/dbraw/zinc/86/16/31/384861631.db2.gz LHDZYFLTYNGVSP-SNVBAGLBSA-N 1 0 210.346 1.932 10 0 BDAERO C[NH+](C)CCNc1ccc2cn[nH]c2c1 ZINC000084952385 384908639 /nfs/dbraw/zinc/90/86/39/384908639.db2.gz KEAYUYLEXDRLQO-UHFFFAOYSA-N 1 0 204.277 1.536 10 0 BDAERO COC[C@H](C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177218355 384915870 /nfs/dbraw/zinc/91/58/70/384915870.db2.gz QDPXKKSYFOZKTJ-DCAQKATOSA-N 1 0 240.347 1.010 10 0 BDAERO Fc1cccc([C@@H]2CN(C3CC3)CC[NH2+]2)c1 ZINC000056894933 384920595 /nfs/dbraw/zinc/92/05/95/384920595.db2.gz HWUKABXUMAHDSG-ZDUSSCGKSA-N 1 0 220.291 1.934 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000149254752 384924947 /nfs/dbraw/zinc/92/49/47/384924947.db2.gz MVZWSLRCUZOVAA-PWSUYJOCSA-N 1 0 222.332 1.339 10 0 BDAERO FC(F)CNc1cc(NCC2CC2)ncn1 ZINC000301810035 384928680 /nfs/dbraw/zinc/92/86/80/384928680.db2.gz DEQFRLUHBINCNV-UHFFFAOYSA-N 1 0 228.246 1.976 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1ncc(Br)cn1 ZINC000307072430 384932758 /nfs/dbraw/zinc/93/27/58/384932758.db2.gz IIBFZCQMRZRIKQ-WDSKDSINSA-N 1 0 245.124 1.387 10 0 BDAERO CC(C)CCN(C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188352448 384932699 /nfs/dbraw/zinc/93/26/99/384932699.db2.gz IEIQABMGNITSIT-VHSXEESVSA-N 1 0 216.300 1.191 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](Nc2ccncc2Cl)C1 ZINC000335581043 384934609 /nfs/dbraw/zinc/93/46/09/384934609.db2.gz MBAXLSRXZRNBMI-DTWKUNHWSA-N 1 0 225.723 1.839 10 0 BDAERO CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000128820253 384966215 /nfs/dbraw/zinc/96/62/15/384966215.db2.gz UVNMGOHKYAOVIZ-JTQLQIEISA-N 1 0 213.325 1.132 10 0 BDAERO CCSCC[NH2+]C[C@H]1CCCC[C@H]1O ZINC000128984441 384971769 /nfs/dbraw/zinc/97/17/69/384971769.db2.gz BLOLIJIDJVNXKX-GHMZBOCLSA-N 1 0 217.378 1.880 10 0 BDAERO O=S1(=O)CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304542046 384981693 /nfs/dbraw/zinc/98/16/93/384981693.db2.gz IUTQIGZKXDFRLT-NNYUYHANSA-N 1 0 243.372 1.342 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000129448319 384993619 /nfs/dbraw/zinc/99/36/19/384993619.db2.gz RUDIEHXQHYPLLO-VHSXEESVSA-N 1 0 208.309 1.227 10 0 BDAERO CC(C)C1(NCc2nsc(N(C)C)n2)CC1 ZINC000339502366 385002605 /nfs/dbraw/zinc/00/26/05/385002605.db2.gz BAEYNRIEXWLMLB-UHFFFAOYSA-N 1 0 240.376 1.882 10 0 BDAERO CC(C)C1([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000339510343 385011557 /nfs/dbraw/zinc/01/15/57/385011557.db2.gz WPCSVWUCPXBQIZ-ZETCQYMHSA-N 1 0 211.227 1.688 10 0 BDAERO COC1(CCN2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000310451629 385072546 /nfs/dbraw/zinc/07/25/46/385072546.db2.gz BSQLUCNGMSOIBI-ZDUSSCGKSA-N 1 0 238.375 1.726 10 0 BDAERO CN[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711556 385073198 /nfs/dbraw/zinc/07/31/98/385073198.db2.gz GTXHNPWDYKJJAG-QMMMGPOBSA-N 1 0 204.195 1.323 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)O)[C@@H](C)O1 ZINC000642718350 385031992 /nfs/dbraw/zinc/03/19/92/385031992.db2.gz FIFLESWIVHCAHL-BBBLOLIVSA-N 1 0 201.310 1.160 10 0 BDAERO Cc1cc(Br)cnc1N[C@@H](C)C[NH3+] ZINC000086708551 385041636 /nfs/dbraw/zinc/04/16/36/385041636.db2.gz ABXFDPGVYJOMGQ-ZETCQYMHSA-N 1 0 244.136 1.912 10 0 BDAERO c1cncc(-c2nnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000032013099 385120412 /nfs/dbraw/zinc/12/04/12/385120412.db2.gz OATOQPZATAOKCN-VIFPVBQESA-N 1 0 216.244 1.556 10 0 BDAERO [NH3+]C[C@H]1CCN(c2ccnc3cccnc32)C1 ZINC000341022727 385102387 /nfs/dbraw/zinc/10/23/87/385102387.db2.gz XFBZOJNGTQLQBO-SNVBAGLBSA-N 1 0 228.299 1.415 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000307571435 385168843 /nfs/dbraw/zinc/16/88/43/385168843.db2.gz CXNODNHFQYJHBQ-WOOKNIGNSA-N 1 0 201.335 1.098 10 0 BDAERO O=C1CC[C@H]([NH2+]C/C=C/Cl)[C@@H](C2CC2)N1 ZINC000308867614 385224049 /nfs/dbraw/zinc/22/40/49/385224049.db2.gz GWCCDKRQTIPMIO-DMWJCCLWSA-N 1 0 228.723 1.386 10 0 BDAERO [NH3+]C[C@H]1COc2cc3ccccc3cc2O1 ZINC000238580005 385256953 /nfs/dbraw/zinc/25/69/53/385256953.db2.gz XXSTTWJUEZQAJD-NSHDSACASA-N 1 0 215.252 1.938 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CCCC(C)C)C1 ZINC000344065202 385248825 /nfs/dbraw/zinc/24/88/25/385248825.db2.gz SEMYJCPGEBPGNY-NEPJUHHUSA-N 1 0 215.337 1.504 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])c2ccsc2S1(=O)=O ZINC000307617940 385249235 /nfs/dbraw/zinc/24/92/35/385249235.db2.gz XOSMBAIDAZWPRP-CAHLUQPWSA-N 1 0 217.315 1.314 10 0 BDAERO CN(C[C@H]1C[C@@H](F)C[NH2+]1)C(=O)OC(C)(C)C ZINC000307706253 385253906 /nfs/dbraw/zinc/25/39/06/385253906.db2.gz ZOZVFOIWQOWAES-RKDXNWHRSA-N 1 0 232.299 1.553 10 0 BDAERO [NH3+]Cc1cn(-c2cc(F)cc(F)c2)nn1 ZINC000050224097 385312962 /nfs/dbraw/zinc/31/29/62/385312962.db2.gz YABYAAPYLFYUNQ-UHFFFAOYSA-N 1 0 210.187 1.004 10 0 BDAERO CC(C)c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000054301275 385319727 /nfs/dbraw/zinc/31/97/27/385319727.db2.gz QLYJMXSZQAXRBH-SECBINFHSA-N 1 0 209.293 1.735 10 0 BDAERO CCc1cc(N[C@H]2CCC(=O)N[C@H]2C)cc[nH+]1 ZINC000307777092 385262261 /nfs/dbraw/zinc/26/22/61/385262261.db2.gz UWSFOBTWQCIGBJ-CABZTGNLSA-N 1 0 233.315 1.723 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000052272888 385271274 /nfs/dbraw/zinc/27/12/74/385271274.db2.gz WUWSDUJRUXCIDC-IEBDPFPHSA-N 1 0 205.305 1.796 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COC ZINC000308910557 385284354 /nfs/dbraw/zinc/28/43/54/385284354.db2.gz DPIDDMVFMCNRMX-UTUOFQBUSA-N 1 0 215.337 1.552 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COC ZINC000308910540 385284892 /nfs/dbraw/zinc/28/48/92/385284892.db2.gz DPIDDMVFMCNRMX-IJLUTSLNSA-N 1 0 215.337 1.552 10 0 BDAERO CS[C@@H]1CCCCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000157801815 385286072 /nfs/dbraw/zinc/28/60/72/385286072.db2.gz IAISUKYNYFNHKT-RKDXNWHRSA-N 1 0 216.350 1.078 10 0 BDAERO CC(C)=CCN(CCCCNC(C)=O)C(N)=[NH2+] ZINC000014713086 385296015 /nfs/dbraw/zinc/29/60/15/385296015.db2.gz ZOSKONQHHUEEMF-UHFFFAOYSA-N 1 0 240.351 1.064 10 0 BDAERO CCOc1cccc2c1CCN2CC(=[NH2+])NO ZINC000409423535 385331283 /nfs/dbraw/zinc/33/12/83/385331283.db2.gz AAWDLGGKCAKXPR-UHFFFAOYSA-N 1 0 235.287 1.404 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC(CCF)CC1 ZINC000409424446 385331624 /nfs/dbraw/zinc/33/16/24/385331624.db2.gz BWIFBCQVHYKLIB-NSHDSACASA-N 1 0 228.311 1.194 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC(CCF)CC1 ZINC000409424445 385331963 /nfs/dbraw/zinc/33/19/63/385331963.db2.gz BWIFBCQVHYKLIB-LLVKDONJSA-N 1 0 228.311 1.194 10 0 BDAERO [NH3+][C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000409423528 385331982 /nfs/dbraw/zinc/33/19/82/385331982.db2.gz SJEWOBBYCPNCIZ-VIFPVBQESA-N 1 0 249.343 1.256 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+]CC(C)C)CC2 ZINC000308988077 385334599 /nfs/dbraw/zinc/33/45/99/385334599.db2.gz KIAUGOJYONEIRH-SNVBAGLBSA-N 1 0 208.309 1.147 10 0 BDAERO C[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000643984531 385351711 /nfs/dbraw/zinc/35/17/11/385351711.db2.gz VQNLYKKRPGMDCV-IONNQARKSA-N 1 0 232.274 1.146 10 0 BDAERO COC(=O)[C@@H](N)COc1cccc(Cl)c1 ZINC000169726700 385418115 /nfs/dbraw/zinc/41/81/15/385418115.db2.gz RJFVOXSHEMGUQI-VIFPVBQESA-N 1 0 229.663 1.219 10 0 BDAERO COC(=O)[C@H](N)[C@H](C)Oc1cccc(F)c1 ZINC000169726774 385419230 /nfs/dbraw/zinc/41/92/30/385419230.db2.gz HSSWJODBLPYXDM-OIBJUYFYSA-N 1 0 227.235 1.093 10 0 BDAERO Cc1nc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cs1 ZINC000309164749 385444767 /nfs/dbraw/zinc/44/47/67/385444767.db2.gz IMMCVTKWOLXGIB-RTCCRHLQSA-N 1 0 224.329 1.434 10 0 BDAERO Cc1ccc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170859315 385451760 /nfs/dbraw/zinc/45/17/60/385451760.db2.gz NCINSCDWPJLFGJ-CQSZACIVSA-N 1 0 246.354 1.700 10 0 BDAERO O=C(NCc1ccccc1)[C@@H]1C[NH2+]CCS1 ZINC000257660987 385488080 /nfs/dbraw/zinc/48/80/80/385488080.db2.gz DWXAKJFDWRKCCU-NSHDSACASA-N 1 0 236.340 1.008 10 0 BDAERO C[C@@H]1CS[C@@]2(CC[N@H+](C)[C@@H](C)C2)N1 ZINC000156983569 385479439 /nfs/dbraw/zinc/47/94/39/385479439.db2.gz ZFGVOHFYUDSZBE-KXUCPTDWSA-N 1 0 200.351 1.522 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)cn1 ZINC000179807284 385492918 /nfs/dbraw/zinc/49/29/18/385492918.db2.gz AIHUMKVSDHYUJV-SNVBAGLBSA-N 1 0 231.303 1.133 10 0 BDAERO CCc1cc(CC)nc(NCC[C@H](C)[NH3+])n1 ZINC000309243332 385493689 /nfs/dbraw/zinc/49/36/89/385493689.db2.gz XLNYPOBBBZFIIN-VIFPVBQESA-N 1 0 222.336 1.751 10 0 BDAERO [NH3+]Cc1cnc([C@H]2CCSC2)s1 ZINC000258067003 385530639 /nfs/dbraw/zinc/53/06/39/385530639.db2.gz LCSMSLDHTITUFK-LURJTMIESA-N 1 0 200.332 1.822 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(F)cc1F ZINC000036779498 385535363 /nfs/dbraw/zinc/53/53/63/385535363.db2.gz JLAZGZHUISBNLS-UWVGGRQHSA-N 1 0 201.216 1.736 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000282232030 385536272 /nfs/dbraw/zinc/53/62/72/385536272.db2.gz FOPWVBQKIJOGSJ-JOYOIKCWSA-N 1 0 236.290 1.582 10 0 BDAERO [NH3+]Cc1csc([C@@H]2CCSC2)n1 ZINC000258141948 385542739 /nfs/dbraw/zinc/54/27/39/385542739.db2.gz RCPOGLQJZLCCRU-ZCFIWIBFSA-N 1 0 200.332 1.822 10 0 BDAERO CC1([NH3+])CCN(c2ncnc3[nH]ccc32)CC1 ZINC000643029345 385524118 /nfs/dbraw/zinc/52/41/18/385524118.db2.gz QOVGNXQURKMDTR-UHFFFAOYSA-N 1 0 231.303 1.276 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc2nccnc2c1 ZINC000054074554 385597285 /nfs/dbraw/zinc/59/72/85/385597285.db2.gz QDQVRKVBSMXLCQ-MRVPVSSYSA-N 1 0 230.271 1.176 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCc2nccn2C1)C1CCC1 ZINC000309427457 385578736 /nfs/dbraw/zinc/57/87/36/385578736.db2.gz AXTCYQPPMGBIPL-CMPLNLGQSA-N 1 0 219.332 1.976 10 0 BDAERO CCOC(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000259669475 385614910 /nfs/dbraw/zinc/61/49/10/385614910.db2.gz YHJKSLBLLFYUMJ-GFCCVEGCSA-N 1 0 219.284 1.940 10 0 BDAERO CCc1nsc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000307259232 385653970 /nfs/dbraw/zinc/65/39/70/385653970.db2.gz QYYKZYJVGPZBEF-NKWVEPMBSA-N 1 0 212.322 1.026 10 0 BDAERO CO[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000182337536 385659177 /nfs/dbraw/zinc/65/91/77/385659177.db2.gz LWBNJTYERWAXOS-CMPLNLGQSA-N 1 0 223.320 1.972 10 0 BDAERO Cn1cc(CC2=[NH+]CCN2)c2ccccc21 ZINC000211685067 385688509 /nfs/dbraw/zinc/68/85/09/385688509.db2.gz OPJPDQSQICYHHS-UHFFFAOYSA-N 1 0 213.284 1.723 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCCCO)C1(C)C ZINC000309588931 385718186 /nfs/dbraw/zinc/71/81/86/385718186.db2.gz TZBQYIKSBSIVNE-SDDRHHMPSA-N 1 0 229.364 1.798 10 0 BDAERO Cc1c(CN2CC[C@@H]([NH3+])C[C@H]2C)cnn1C ZINC000228338277 385667083 /nfs/dbraw/zinc/66/70/83/385667083.db2.gz TXTSTPCJCKTJFC-BXKDBHETSA-N 1 0 222.336 1.040 10 0 BDAERO C[C@@H](C[NH3+])CNc1nccc(C(C)(C)C)n1 ZINC000336691822 385729010 /nfs/dbraw/zinc/72/90/10/385729010.db2.gz KUNAAGVSCBYLIT-VIFPVBQESA-N 1 0 222.336 1.781 10 0 BDAERO c1cn2c(n1)CC[C@@H](C[NH2+]C1CCCC1)C2 ZINC000309644664 385768407 /nfs/dbraw/zinc/76/84/07/385768407.db2.gz VOXNCZRWMIWWTM-NSHDSACASA-N 1 0 219.332 1.978 10 0 BDAERO O=S(=O)(C[C@H]1CC[NH2+]C1)c1cccs1 ZINC000259204807 385787362 /nfs/dbraw/zinc/78/73/62/385787362.db2.gz KYKNFNMCGQEDAK-QMMMGPOBSA-N 1 0 231.342 1.131 10 0 BDAERO C[C@H](O)C[N@H+](CCO)C[C@@H]1Cc2ccccc21 ZINC000289918851 385724300 /nfs/dbraw/zinc/72/43/00/385724300.db2.gz UCTTZDLGKITQAQ-AAEUAGOBSA-N 1 0 235.327 1.001 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H](c2ccccc2OC)C1 ZINC000215988549 385855420 /nfs/dbraw/zinc/85/54/20/385855420.db2.gz XFAZMAUIINZKLQ-GHMZBOCLSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1c1ccccc1F ZINC000215990675 385855874 /nfs/dbraw/zinc/85/58/74/385855874.db2.gz WIFXOHJUEUAOFL-ONGXEEELSA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@H]1c1ccccc1C ZINC000215990392 385855991 /nfs/dbraw/zinc/85/59/91/385855991.db2.gz BKLKSUIVDTXUPT-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H](c2cccc(OC)c2)C1 ZINC000215987223 385856029 /nfs/dbraw/zinc/85/60/29/385856029.db2.gz KJPUEJXQNOKFSV-NEPJUHHUSA-N 1 0 249.310 1.561 10 0 BDAERO CC(C)n1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)nn1 ZINC000336707386 385794223 /nfs/dbraw/zinc/79/42/23/385794223.db2.gz NKQOOWIOZBLPIE-CMPLNLGQSA-N 1 0 238.335 1.110 10 0 BDAERO C[C@@]1(C(=O)N[C@H]2CC23CC3)CCCC[NH2+]1 ZINC000335030844 385885331 /nfs/dbraw/zinc/88/53/31/385885331.db2.gz SUVOHANISSCJRM-ONGXEEELSA-N 1 0 208.305 1.187 10 0 BDAERO CCNC(=[NH2+])N[C@H]1CC[C@H](C)SC1 ZINC000575533377 385890474 /nfs/dbraw/zinc/89/04/74/385890474.db2.gz BOAURVNVWYFHGV-YUMQZZPRSA-N 1 0 201.339 1.404 10 0 BDAERO C[C@@H]1CS[C@@](C)(C[C@@H]2CCCO2)[NH2+]1 ZINC000575530670 385866997 /nfs/dbraw/zinc/86/69/97/385866997.db2.gz FFMNTFFMWHPTQM-UTLUCORTSA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000647920465 385882784 /nfs/dbraw/zinc/88/27/84/385882784.db2.gz UIKSTKGECXDJFM-FRRDWIJNSA-N 1 0 232.327 1.991 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCOCCO ZINC000336768177 385939887 /nfs/dbraw/zinc/93/98/87/385939887.db2.gz TZNDLVGTDHJSHZ-VXGBXAGGSA-N 1 0 215.337 1.554 10 0 BDAERO CCc1nnc(CN2C[C@H](O)CC[C@H]2C)s1 ZINC000643254819 385993807 /nfs/dbraw/zinc/99/38/07/385993807.db2.gz SJGAKTGWLPMPJA-RKDXNWHRSA-N 1 0 241.360 1.446 10 0 BDAERO Cc1nn(C)cc1C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000307652372 385965533 /nfs/dbraw/zinc/96/55/33/385965533.db2.gz SRUWYRCIBZBAIP-WCBMZHEXSA-N 1 0 207.277 1.039 10 0 BDAERO C[C@@H]1SCC[C@]1([NH3+])C1CCOCC1 ZINC000575558893 386005819 /nfs/dbraw/zinc/00/58/19/386005819.db2.gz DQLHILJTQDIIIM-WCBMZHEXSA-N 1 0 201.335 1.636 10 0 BDAERO CC[C@@H](NC(=O)COC1CC[NH2+]CC1)C(C)C ZINC000111758290 386104403 /nfs/dbraw/zinc/10/44/03/386104403.db2.gz DZWQFNZQUSYLTP-GFCCVEGCSA-N 1 0 242.363 1.306 10 0 BDAERO CCc1ccc([C@H](C)[NH2+]CC(=O)NC(N)=O)cc1 ZINC000037977101 386111564 /nfs/dbraw/zinc/11/15/64/386111564.db2.gz CTVMGYVSHYRJPH-VIFPVBQESA-N 1 0 249.314 1.095 10 0 BDAERO CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)C(C)(C)C ZINC000336729546 386124024 /nfs/dbraw/zinc/12/40/24/386124024.db2.gz HSTJEERMKIKPGD-YPMHNXCESA-N 1 0 228.380 1.467 10 0 BDAERO C[C@H](CO)[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000124634114 386116275 /nfs/dbraw/zinc/11/62/75/386116275.db2.gz YKHOTNLLCOWXRR-PWSUYJOCSA-N 1 0 205.301 1.639 10 0 BDAERO OC1(C[N@@H+]2CCN3CCCC[C@@H]3C2)CCC1 ZINC000334443125 386062026 /nfs/dbraw/zinc/06/20/26/386062026.db2.gz AUQJHHABANCIOK-GFCCVEGCSA-N 1 0 224.348 1.072 10 0 BDAERO [NH3+][C@]1(c2sccc2Cl)CCOC1 ZINC000575566220 386081271 /nfs/dbraw/zinc/08/12/71/386081271.db2.gz DFBLVHRCFQIBTN-MRVPVSSYSA-N 1 0 203.694 1.976 10 0 BDAERO Cc1cc(N[C@@H]2CCCn3ncnc32)cc[nH+]1 ZINC000274879036 386160547 /nfs/dbraw/zinc/16/05/47/386160547.db2.gz HCTXNEOVWLXBEZ-LLVKDONJSA-N 1 0 229.287 1.929 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000284059014 386162581 /nfs/dbraw/zinc/16/25/81/386162581.db2.gz NYAUEWNSPYTZGH-KOLCDFICSA-N 1 0 209.293 1.375 10 0 BDAERO C[C@@H]1C[C@]([NH3+])(Cc2cncs2)CS1 ZINC000575573478 386163762 /nfs/dbraw/zinc/16/37/62/386163762.db2.gz WLSHZSRLTWWZMM-APPZFPTMSA-N 1 0 214.359 1.909 10 0 BDAERO CCC[C@@H]([NH3+])c1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000310216304 386165110 /nfs/dbraw/zinc/16/51/10/386165110.db2.gz IRZLVXFIOYTYIL-KOLCDFICSA-N 1 0 240.351 1.485 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)[C@@H](CO)C(C)(C)C ZINC000647969463 386189091 /nfs/dbraw/zinc/18/90/91/386189091.db2.gz ZQWQVWNSWHNPGC-AGIUHOORSA-N 1 0 243.391 1.876 10 0 BDAERO CCSCC[NH2+]C[C@H](O)C(C)(C)C ZINC000336643193 386135441 /nfs/dbraw/zinc/13/54/41/386135441.db2.gz FUNAVXLGEULWIZ-VIFPVBQESA-N 1 0 205.367 1.736 10 0 BDAERO COC(=O)[C@]1(C)CCC[N@@H+]1CC1=CCCOC1 ZINC000189994281 386140204 /nfs/dbraw/zinc/14/02/04/386140204.db2.gz IRSDOVUDLQUHDC-ZDUSSCGKSA-N 1 0 239.315 1.361 10 0 BDAERO OCC[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347061055 386209689 /nfs/dbraw/zinc/20/96/89/386209689.db2.gz WEZKAZNMKHVAEB-LLVKDONJSA-N 1 0 213.321 1.260 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000336730981 386293992 /nfs/dbraw/zinc/29/39/92/386293992.db2.gz IPHGBEWUNRTZIB-WGBDABJCSA-N 1 0 229.364 1.797 10 0 BDAERO Cn1cnnc1[C@H]([NH3+])[C@H]1CCCCS1 ZINC000307217416 386308385 /nfs/dbraw/zinc/30/83/85/386308385.db2.gz CDCKERUDCNABBT-HTQZYQBOSA-N 1 0 212.322 1.101 10 0 BDAERO Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)o1 ZINC000425528589 386318163 /nfs/dbraw/zinc/31/81/63/386318163.db2.gz RYVGUAHGGRMPLA-SDDRHHMPSA-N 1 0 236.315 1.576 10 0 BDAERO C[NH2+][C@H](c1cccs1)c1cncnc1 ZINC000052886960 386261882 /nfs/dbraw/zinc/26/18/82/386261882.db2.gz RPELWUPJILKSPP-JTQLQIEISA-N 1 0 205.286 1.847 10 0 BDAERO C[C@H](CF)Nc1c(N)c[nH+]cc1Br ZINC000575583301 386262196 /nfs/dbraw/zinc/26/21/96/386262196.db2.gz MBNNXFSSQVAAMG-RXMQYKEDSA-N 1 0 248.099 1.618 10 0 BDAERO CCC1(CC)[C@H]([NH2+][C@H](C)CO)[C@@H](C)[C@@H]1OC ZINC000336723155 386279646 /nfs/dbraw/zinc/27/96/46/386279646.db2.gz DWHMVMLGEHQALB-KKOKHZNYSA-N 1 0 229.364 1.797 10 0 BDAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336774644 386356627 /nfs/dbraw/zinc/35/66/27/386356627.db2.gz ZMWXFOMRJTUSSJ-FXPVBKGRSA-N 1 0 210.321 1.432 10 0 BDAERO C[C@H]1CC[C@H](NC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000417554112 386358261 /nfs/dbraw/zinc/35/82/61/386358261.db2.gz IYHZXYMTQKKDQU-SRVKXCTJSA-N 1 0 239.363 1.568 10 0 BDAERO Nc1cccc(Cl)c1NC1=[NH+]CCN1 ZINC000521401225 386452706 /nfs/dbraw/zinc/45/27/06/386452706.db2.gz IBNKGKSDADFKOL-UHFFFAOYSA-N 1 0 210.668 1.293 10 0 BDAERO Cc1cc[nH+]c(NCCC(=O)N2CCCC2)c1 ZINC000135032427 386478807 /nfs/dbraw/zinc/47/88/07/386478807.db2.gz ZICSFUFZKIVQPN-UHFFFAOYSA-N 1 0 233.315 1.814 10 0 BDAERO Clc1nccc(NCC2CC[NH2+]CC2)n1 ZINC000073734633 386485167 /nfs/dbraw/zinc/48/51/67/386485167.db2.gz VIIOJNODMZPBCZ-UHFFFAOYSA-N 1 0 226.711 1.542 10 0 BDAERO COCc1ccccc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335440788 386498479 /nfs/dbraw/zinc/49/84/79/386498479.db2.gz WYKQBZGZMWCQPR-MFKMUULPSA-N 1 0 248.326 1.395 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1CC2(CCC2)C1 ZINC000335441538 386502075 /nfs/dbraw/zinc/50/20/75/386502075.db2.gz DDUJHAWTHMGOHB-PWSUYJOCSA-N 1 0 236.359 1.810 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC2(CCC2)C1 ZINC000335441537 386502434 /nfs/dbraw/zinc/50/24/34/386502434.db2.gz DDUJHAWTHMGOHB-JQWIXIFHSA-N 1 0 236.359 1.810 10 0 BDAERO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[C@H](O)C1 ZINC000647971551 386506334 /nfs/dbraw/zinc/50/63/34/386506334.db2.gz NRUFHGJTOJVAKW-RVMXOQNASA-N 1 0 237.343 1.733 10 0 BDAERO CCc1c(C[NH3+])nnn1-c1ccccc1 ZINC000062263373 386509454 /nfs/dbraw/zinc/50/94/54/386509454.db2.gz IVRCRJLOOVZOGT-UHFFFAOYSA-N 1 0 202.261 1.288 10 0 BDAERO CC[C@](C)(O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000229381848 386516977 /nfs/dbraw/zinc/51/69/77/386516977.db2.gz YTUPOCQXIJXLAF-DCAQKATOSA-N 1 0 201.310 1.257 10 0 BDAERO Cc1ccc([C@@]2(O)C[N@@H+](C)C[C@@H]2C)cc1 ZINC000521401436 386459231 /nfs/dbraw/zinc/45/92/31/386459231.db2.gz HKXFGXPZJDCKIZ-WCQYABFASA-N 1 0 205.301 1.764 10 0 BDAERO Cc1csc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000051883162 386574019 /nfs/dbraw/zinc/57/40/19/386574019.db2.gz FCMZNEPVPAIHQD-VIFPVBQESA-N 1 0 212.318 1.830 10 0 BDAERO Nc1ccc(SC[C@H]2CC[NH2+]C2)cc1 ZINC000051891144 386627489 /nfs/dbraw/zinc/62/74/89/386627489.db2.gz ASQLJEKCXQSAMF-VIFPVBQESA-N 1 0 208.330 1.970 10 0 BDAERO CCC(C)(C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000190749025 386631700 /nfs/dbraw/zinc/63/17/00/386631700.db2.gz ZYFMJPHIGWMXNB-NSHDSACASA-N 1 0 241.379 1.768 10 0 BDAERO CC[C@@]1(C(=O)N[C@H](C)C2CC2)CC[NH2+]C1 ZINC000062890709 386633857 /nfs/dbraw/zinc/63/38/57/386633857.db2.gz ANYQYCFIGNGEMK-BXKDBHETSA-N 1 0 210.321 1.291 10 0 BDAERO CC[C@H]1C[N@H+](CC2(O)CCC2)CCCO1 ZINC000335506474 386638191 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ZINC000398791685 386993610 /nfs/dbraw/zinc/99/36/10/386993610.db2.gz NSINFBQYUAVVHN-SDDRHHMPSA-N 1 0 235.331 1.013 10 0 BDAERO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648101670 387002412 /nfs/dbraw/zinc/00/24/12/387002412.db2.gz QSZJFTOTUKGVGD-KXNHARMFSA-N 1 0 224.348 1.761 10 0 BDAERO [NH3+][C@H]1COC[C@H]1c1sccc1Br ZINC000575456829 387031345 /nfs/dbraw/zinc/03/13/45/387031345.db2.gz QVTJICZRRDLWPK-VDTYLAMSSA-N 1 0 248.145 1.952 10 0 BDAERO C[NH2+][C@@H]1CO[C@H](c2ncc(Cl)s2)C1 ZINC000575459258 387035633 /nfs/dbraw/zinc/03/56/33/387035633.db2.gz POCJCPQIMPUKJG-WDSKDSINSA-N 1 0 218.709 1.846 10 0 BDAERO c1nc(CC[NH2+]Cc2ccccc2)c[nH]1 ZINC000034349451 387051619 /nfs/dbraw/zinc/05/16/19/387051619.db2.gz GVOCXQUIZNWEMU-UHFFFAOYSA-N 1 0 201.273 1.742 10 0 BDAERO [NH3+]C1(c2cccc(Br)c2F)COC1 ZINC000575581687 387055881 /nfs/dbraw/zinc/05/58/81/387055881.db2.gz VRUHKGSGHFRDFR-UHFFFAOYSA-N 1 0 246.079 1.772 10 0 BDAERO COc1nsc([C@H]2CC[NH2+]2)c1Br ZINC000575465392 387060056 /nfs/dbraw/zinc/06/00/56/387060056.db2.gz LEGNISGLHLDMHW-SCSAIBSYSA-N 1 0 249.133 1.949 10 0 BDAERO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185961377 387070325 /nfs/dbraw/zinc/07/03/25/387070325.db2.gz IKHISMWEFJQLLG-SCRDCRAPSA-N 1 0 238.375 1.831 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000336765384 387087905 /nfs/dbraw/zinc/08/79/05/387087905.db2.gz RAKROECEWQYRRM-IYSWYEEDSA-N 1 0 219.210 1.927 10 0 BDAERO OC[C@H]1C[C@@H](F)C[N@@H+]1CC1CC(F)(F)C1 ZINC000336255941 387087967 /nfs/dbraw/zinc/08/79/67/387087967.db2.gz DLICTSWFFVASEU-RKDXNWHRSA-N 1 0 223.238 1.436 10 0 BDAERO [NH3+]CCC[C@@H]([NH3+])c1ccc(C(=O)[O-])cc1 ZINC000575439087 387121596 /nfs/dbraw/zinc/12/15/96/387121596.db2.gz SFQCGCCVHHYZKI-SNVBAGLBSA-N 1 0 208.261 1.124 10 0 BDAERO CC(=O)Oc1ccc([C@H]([NH3+])CCF)cc1O ZINC000575438358 387130014 /nfs/dbraw/zinc/13/00/14/387130014.db2.gz JCMFRAZZBOPBED-SECBINFHSA-N 1 0 227.235 1.677 10 0 BDAERO CC1(C)C[C@H](S[C@H]2CC[NH2+]C2)CO1 ZINC000575586401 387146226 /nfs/dbraw/zinc/14/62/26/387146226.db2.gz ZLRKBJJIRSOUNG-IUCAKERBSA-N 1 0 201.335 1.649 10 0 BDAERO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000393671724 387165861 /nfs/dbraw/zinc/16/58/61/387165861.db2.gz KBLDMFAZTLBCMN-LLVKDONJSA-N 1 0 228.380 1.515 10 0 BDAERO [NH3+]C[C@@H](c1ccccc1O)C1(CO)CCCC1 ZINC000536955436 387168064 /nfs/dbraw/zinc/16/80/64/387168064.db2.gz ZODLFVWPGXHLDE-LBPRGKRZSA-N 1 0 235.327 1.987 10 0 BDAERO CC[C@H]([NH3+])c1nn(C)cc1Br ZINC000575482061 387181872 /nfs/dbraw/zinc/18/18/72/387181872.db2.gz JASIAJQUPNIHJN-LURJTMIESA-N 1 0 218.098 1.592 10 0 BDAERO Cc1cc(N2CC[NH+]([C@H]3C=CCCC3)CC2)n[nH]1 ZINC000187270574 387184866 /nfs/dbraw/zinc/18/48/66/387184866.db2.gz QPAZWGFVFNBQQL-ZDUSSCGKSA-N 1 0 246.358 1.949 10 0 BDAERO CC(C)[C@H]([NH3+])c1nn(C)cc1Br ZINC000575481492 387188418 /nfs/dbraw/zinc/18/84/18/387188418.db2.gz GJCXKLYROKAOBD-ZETCQYMHSA-N 1 0 232.125 1.838 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000187381734 387191673 /nfs/dbraw/zinc/19/16/73/387191673.db2.gz OGFQMEFZQYGXIX-GFCCVEGCSA-N 1 0 227.348 1.648 10 0 BDAERO C[C@@H]1CSC[C@@H]1[N@@H+]1C[C@@H](N)C[C@@H]1C ZINC000575590164 387204406 /nfs/dbraw/zinc/20/44/06/387204406.db2.gz GIUXMMKZRFVOAA-KATARQTJSA-N 1 0 200.351 1.159 10 0 BDAERO C[C@@H]1C[NH+]=C(NC2CC(F)(F)C2)S1 ZINC000575484589 387252629 /nfs/dbraw/zinc/25/26/29/387252629.db2.gz ZJPMBCXTWXZGIP-RXMQYKEDSA-N 1 0 206.261 1.865 10 0 BDAERO CC(C)[NH2+]CCCNc1ccc2nccnc2n1 ZINC000572017564 387220830 /nfs/dbraw/zinc/22/08/30/387220830.db2.gz XAQUKWOFMKWCCG-UHFFFAOYSA-N 1 0 245.330 1.198 10 0 BDAERO CC1(C)CCN1C[C@H]1CSCC[NH2+]1 ZINC000575594077 387226436 /nfs/dbraw/zinc/22/64/36/387226436.db2.gz CZLPZKVQQNYUGZ-VIFPVBQESA-N 1 0 200.351 1.176 10 0 BDAERO CCC[C@H](C(=O)NC[C@@H](C)SC)[NH+](C)C ZINC000120339849 387232649 /nfs/dbraw/zinc/23/26/49/387232649.db2.gz DXMFRUGTNNWTMO-NXEZZACHSA-N 1 0 232.393 1.584 10 0 BDAERO C[C@H]([NH3+])CCNc1cncc(Br)c1 ZINC000300730872 387240785 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387399422 /nfs/dbraw/zinc/39/94/22/387399422.db2.gz WGOIKMCCJRZVSB-BHDSKKPTSA-N 1 0 217.378 1.779 10 0 BDAERO C[C@@H]1[NH2+]CC12CN(C(=O)OC(C)(C)C)C2 ZINC000584623684 387502914 /nfs/dbraw/zinc/50/29/14/387502914.db2.gz HAQCBNQXWBHGLI-QMMMGPOBSA-N 1 0 212.293 1.215 10 0 BDAERO CC[NH+](CC)CCN1CNc2ccccc2C1=O ZINC000584635077 387506600 /nfs/dbraw/zinc/50/66/00/387506600.db2.gz MWWNRTWUARKCJW-UHFFFAOYSA-N 1 0 247.342 1.854 10 0 BDAERO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000648080236 387511265 /nfs/dbraw/zinc/51/12/65/387511265.db2.gz LWJZQGHEEJITNE-IEBDPFPHSA-N 1 0 210.321 1.419 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324717273 387512279 /nfs/dbraw/zinc/51/22/79/387512279.db2.gz FPVCACWGCXIVRM-KGLIPLIRSA-N 1 0 238.375 1.485 10 0 BDAERO [NH3+][C@H]1COC[C@H]1Cc1ccc(Br)o1 ZINC000575529933 387542238 /nfs/dbraw/zinc/54/22/38/387542238.db2.gz HFJVUVUIXXKTLR-SVRRBLITSA-N 1 0 246.104 1.558 10 0 BDAERO COC(=O)c1cc(C[NH2+][C@@H]2C[C@H]2C)n(C)c1C ZINC000291251516 387580337 /nfs/dbraw/zinc/58/03/37/387580337.db2.gz RKSXXGQUAVZSQK-PRHODGIISA-N 1 0 236.315 1.618 10 0 BDAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)C1CCCC1 ZINC000123511270 387584853 /nfs/dbraw/zinc/58/48/53/387584853.db2.gz GDQBQPLVQVJAAI-QWHCGFSZSA-N 1 0 240.391 1.875 10 0 BDAERO C[NH2+][C@@H](CO)c1ccsc1Br ZINC000575541835 387596541 /nfs/dbraw/zinc/59/65/41/387596541.db2.gz KUGFWWSFJKZPGF-LURJTMIESA-N 1 0 236.134 1.763 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000124105655 387604610 /nfs/dbraw/zinc/60/46/10/387604610.db2.gz CRHAVRLUMUVYKF-STQMWFEESA-N 1 0 248.374 1.406 10 0 BDAERO [NH3+][C@@H]1COC[C@@H]1Cc1ccsc1Cl ZINC000575531254 387552152 /nfs/dbraw/zinc/55/21/52/387552152.db2.gz OYMKICOAWJZAFO-JGVFFNPUSA-N 1 0 217.721 1.918 10 0 BDAERO CC[C@@H](C)[NH2+][C@H]1CCCn2nc(COC)nc21 ZINC000125308753 387651883 /nfs/dbraw/zinc/65/18/83/387651883.db2.gz DLZJXCXCMVNHDT-ZJUUUORDSA-N 1 0 238.335 1.648 10 0 BDAERO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000149626002 387659788 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ZINC000065497859 388018826 /nfs/dbraw/zinc/01/88/26/388018826.db2.gz DJCRKUBAZPSZBU-ZJUUUORDSA-N 1 0 243.314 1.289 10 0 BDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cn[nH]c1 ZINC000083704138 388059373 /nfs/dbraw/zinc/05/93/73/388059373.db2.gz NSAXQFZBXMAGDZ-CMPLNLGQSA-N 1 0 248.330 1.109 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CCC(c2ccccn2)CC1 ZINC000083911558 388066337 /nfs/dbraw/zinc/06/63/37/388066337.db2.gz HGCDTHVCYZIIDK-JTQLQIEISA-N 1 0 233.315 1.135 10 0 BDAERO CCOC[C@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000646146261 388156651 /nfs/dbraw/zinc/15/66/51/388156651.db2.gz RRLXUCFTCQXFPL-RYUDHWBXSA-N 1 0 242.363 1.245 10 0 BDAERO c1[nH]c2nccnc2c1C1CC[NH2+]CC1 ZINC000083284191 388168442 /nfs/dbraw/zinc/16/84/42/388168442.db2.gz DRNFZXLFFDPETB-UHFFFAOYSA-N 1 0 202.261 1.425 10 0 BDAERO C[C@H]1CCN(CC(F)(F)F)[C@H](C[NH3+])C1 ZINC000261528201 135153473 /nfs/dbraw/zinc/15/34/73/135153473.db2.gz JYUXNGIVBFIKGV-YUMQZZPRSA-N 1 0 210.243 1.608 10 0 BDAERO CCC[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)CCO1 ZINC000646274092 388174448 /nfs/dbraw/zinc/17/44/48/388174448.db2.gz XHSJSHWLJUMKLJ-VXGBXAGGSA-N 1 0 242.363 1.387 10 0 BDAERO CN1CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324628842 388122360 /nfs/dbraw/zinc/12/23/60/388122360.db2.gz SFCWPFONDBHEBA-WDEREUQCSA-N 1 0 214.353 1.077 10 0 BDAERO C[C@@H]1CCN(CC(F)(F)F)[C@H](C[NH3+])C1 ZINC000261528200 135153840 /nfs/dbraw/zinc/15/38/40/135153840.db2.gz JYUXNGIVBFIKGV-SFYZADRCSA-N 1 0 210.243 1.608 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H](CO)C(C)(C)C ZINC000195215858 388145253 /nfs/dbraw/zinc/14/52/53/388145253.db2.gz VIZWPVBFKBQOTB-VXGBXAGGSA-N 1 0 247.379 1.161 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000449475668 388214394 /nfs/dbraw/zinc/21/43/94/388214394.db2.gz XQEUVETUOKTQTI-RISCZKNCSA-N 1 0 247.338 1.967 10 0 BDAERO CCC(C)(C)N(C)[C@H]1COCC[C@H]1[NH3+] ZINC000251246928 388282519 /nfs/dbraw/zinc/28/25/19/388282519.db2.gz JOQWDPJVWMAHFN-ZJUUUORDSA-N 1 0 200.326 1.223 10 0 BDAERO CCc1ncnc(NC[C@H](C)C[NH3+])c1F ZINC000234169182 388354006 /nfs/dbraw/zinc/35/40/06/388354006.db2.gz PIRIJOZGWLGTDT-SSDOTTSWSA-N 1 0 212.272 1.185 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000290369241 388367834 /nfs/dbraw/zinc/36/78/34/388367834.db2.gz NFVCPIMVMVJTSM-APPZFPTMSA-N 1 0 240.328 1.687 10 0 BDAERO CCC1(CO)CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305707644 388372793 /nfs/dbraw/zinc/37/27/93/388372793.db2.gz FFRURKZNRWCLFT-OLZOCXBDSA-N 1 0 241.375 1.774 10 0 BDAERO O=C(Nc1cc(Cl)ccn1)[C@H]1CCC[NH2+]1 ZINC000236047512 388377532 /nfs/dbraw/zinc/37/75/32/388377532.db2.gz OYJXBFKSJOMBMT-MRVPVSSYSA-N 1 0 225.679 1.426 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300690913 388388272 /nfs/dbraw/zinc/38/82/72/388388272.db2.gz OAJGVVSHIIARTE-WRWGMCAJSA-N 1 0 222.332 1.243 10 0 BDAERO Cc1nnc(NCc2ccc(C[NH3+])cc2)nc1C ZINC000165205137 388394496 /nfs/dbraw/zinc/39/44/96/388394496.db2.gz XKWATCPEHFDHPQ-UHFFFAOYSA-N 1 0 243.314 1.559 10 0 BDAERO C[C@@H](CNC1COC1)C[NH+]1CCCCC1 ZINC000087597344 135159158 /nfs/dbraw/zinc/15/91/58/135159158.db2.gz QZSXZAXBDCEFRE-NSHDSACASA-N 1 0 212.337 1.097 10 0 BDAERO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000393835773 388444287 /nfs/dbraw/zinc/44/42/87/388444287.db2.gz ODTQRYQRTOAUTJ-DCAQKATOSA-N 1 0 228.405 1.988 10 0 BDAERO C[C@](O)(c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000071518307 388444433 /nfs/dbraw/zinc/44/44/33/388444433.db2.gz OJBZEZWCQGJAJF-GXSJLCMTSA-N 1 0 211.330 1.955 10 0 BDAERO Cc1ccc(CN[C@@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000334818857 388447705 /nfs/dbraw/zinc/44/77/05/388447705.db2.gz GZTJSDBQZALGMO-DGCLKSJQSA-N 1 0 219.332 1.620 10 0 BDAERO COc1ccc([C@H](C)C(=O)NC[C@@H](C)[NH3+])cc1 ZINC000194918904 388456090 /nfs/dbraw/zinc/45/60/90/388456090.db2.gz OHRYUJLZJRXZKP-ZJUUUORDSA-N 1 0 236.315 1.262 10 0 BDAERO CCOc1cc(N[C@@H](C)CCCC[NH3+])ncn1 ZINC000336718916 388467795 /nfs/dbraw/zinc/46/77/95/388467795.db2.gz RJUJBJIUTBXUQZ-JTQLQIEISA-N 1 0 238.335 1.805 10 0 BDAERO CCC1(CC)[C@H]([NH2+][C@@H](C)CO)[C@H](C)[C@H]1OC ZINC000310001146 388471980 /nfs/dbraw/zinc/47/19/80/388471980.db2.gz DWHMVMLGEHQALB-NNYUYHANSA-N 1 0 229.364 1.797 10 0 BDAERO Cc1cnccc1CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000397524398 388476225 /nfs/dbraw/zinc/47/62/25/388476225.db2.gz MNTJQNDGJJCCOR-YPMHNXCESA-N 1 0 247.342 1.189 10 0 BDAERO COc1ncc(Cl)c(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000165719568 388410009 /nfs/dbraw/zinc/41/00/09/388410009.db2.gz FCEQWMNCDCFYHZ-BQBZGAKWSA-N 1 0 244.726 1.676 10 0 BDAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccnc(N(C)C)n1 ZINC000165732073 388410664 /nfs/dbraw/zinc/41/06/64/388410664.db2.gz ZTJJLXWWAVVRHG-RKDXNWHRSA-N 1 0 223.324 1.080 10 0 BDAERO CC[C@@H]([NH3+])CNC(=O)OCc1ccccc1 ZINC000039952289 388411153 /nfs/dbraw/zinc/41/11/53/388411153.db2.gz AIGKIQKESHOKBW-LLVKDONJSA-N 1 0 222.288 1.650 10 0 BDAERO Cc1noc(C)c1C(=O)[C@H]1CCC[NH2+]C1 ZINC000040177210 388412795 /nfs/dbraw/zinc/41/27/95/388412795.db2.gz BCTSVTUMGFISHE-VIFPVBQESA-N 1 0 208.261 1.474 10 0 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1.582 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397620457 388484284 /nfs/dbraw/zinc/48/42/84/388484284.db2.gz GORTXJCMVNWHIP-SVNGYHJRSA-N 1 0 222.332 1.289 10 0 BDAERO COC(C[N@@H+]1CCC[C@@H]1c1cnn(C)c1)OC ZINC000136758942 388548454 /nfs/dbraw/zinc/54/84/54/388548454.db2.gz QHKBJXWSECNNLH-LLVKDONJSA-N 1 0 239.319 1.176 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccccc1 ZINC000208737500 388503426 /nfs/dbraw/zinc/50/34/26/388503426.db2.gz RBNKLJMQYLGPSQ-WCFLWFBJSA-N 1 0 221.300 1.487 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccsc2)C1 ZINC000343986584 388503677 /nfs/dbraw/zinc/50/36/77/388503677.db2.gz REZRZITUOIXHEF-GHMZBOCLSA-N 1 0 227.329 1.330 10 0 BDAERO CO[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)C1CC1 ZINC000356438188 388549353 /nfs/dbraw/zinc/54/93/53/388549353.db2.gz UTICIGQLDIHXHR-IACUBPJLSA-N 1 0 238.375 1.580 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CCCC[C@H]2O)[C@@H]2CCO[C@@H]21 ZINC000516785271 388518019 /nfs/dbraw/zinc/51/80/19/388518019.db2.gz HPRVCTIXZCOLSP-CLPYTZEMSA-N 1 0 239.359 1.693 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC1 ZINC000079495996 388536774 /nfs/dbraw/zinc/53/67/74/388536774.db2.gz UNHFJXRPDIJQPO-LLVKDONJSA-N 1 0 227.352 1.378 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2[C@@H]2CCCC[C@H]2O)cn1 ZINC000245620984 388593257 /nfs/dbraw/zinc/59/32/57/388593257.db2.gz NRHLXIMVEDHILI-BFHYXJOUSA-N 1 0 249.358 1.861 10 0 BDAERO C[C@H](CCC1CC1)[NH2+]C[C@H](C)N1CCOCC1 ZINC000186226026 388598074 /nfs/dbraw/zinc/59/80/74/388598074.db2.gz ZCKYZEBHQURCJE-OLZOCXBDSA-N 1 0 240.391 1.875 10 0 BDAERO [NH3+][C@@H]1C[C@@H](NCCn2cncn2)c2ccccc21 ZINC000362976773 388562631 /nfs/dbraw/zinc/56/26/31/388562631.db2.gz LSAVYUVTZCILDA-CHWSQXEVSA-N 1 0 243.314 1.013 10 0 BDAERO c1csc(-c2noc(C3CC[NH2+]CC3)n2)n1 ZINC000075879278 388575559 /nfs/dbraw/zinc/57/55/59/388575559.db2.gz JXBXDXVQUYJSGK-UHFFFAOYSA-N 1 0 236.300 1.660 10 0 BDAERO Cn1c2c(nc1-c1ccccc1)CC[NH2+]C2 ZINC000076644353 388582535 /nfs/dbraw/zinc/58/25/35/388582535.db2.gz 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/nfs/dbraw/zinc/83/35/65/388833565.db2.gz MIZKPAJXOCXQLH-NKWVEPMBSA-N 1 0 203.694 1.843 10 0 BDAERO C[C@@]1(Cn2cc(Br)cn2)CC[NH2+]C1 ZINC000575478440 388858967 /nfs/dbraw/zinc/85/89/67/388858967.db2.gz FZHYJJCGBZKRNX-SECBINFHSA-N 1 0 244.136 1.645 10 0 BDAERO COC[C@@H](C)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000153360653 388967202 /nfs/dbraw/zinc/96/72/02/388967202.db2.gz NWZJCHPQHQOUPO-QWHCGFSZSA-N 1 0 230.396 1.835 10 0 BDAERO C[C@H]([NH3+])/C=C/c1cc(Br)nn1C ZINC000575501798 388990228 /nfs/dbraw/zinc/99/02/28/388990228.db2.gz HHVZMDZXJVUWDS-YUDCMIJISA-N 1 0 230.109 1.543 10 0 BDAERO [NH3+][C@H]1CO[C@H](c2ccc(Br)cn2)C1 ZINC000575506420 388991522 /nfs/dbraw/zinc/99/15/22/388991522.db2.gz ABLBNLHYOFCZNE-APPZFPTMSA-N 1 0 243.104 1.633 10 0 BDAERO CC[C@@H]1CS[C@]2(CC[NH2+][C@@H](C)C2)N1 ZINC000575511527 389008527 /nfs/dbraw/zinc/00/85/27/389008527.db2.gz FQUFPUKVWBSGLK-AEJSXWLSSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]1CN[C@]2(CC[NH2+][C@H](C)C2)SC1 ZINC000575511373 389009770 /nfs/dbraw/zinc/00/97/70/389009770.db2.gz DHFSNLWNWWSTCG-OPRDCNLKSA-N 1 0 200.351 1.427 10 0 BDAERO Cc1ccc2c(c1)CCCN2CC(N)=[NH2+] ZINC000019423629 132324837 /nfs/dbraw/zinc/32/48/37/132324837.db2.gz HYDSVGUHOLBBIX-UHFFFAOYSA-N 1 0 203.289 1.684 10 0 BDAERO Cc1ccc(C[NH3+])c(N2CCO[C@H](C)C2)n1 ZINC000043395466 132352864 /nfs/dbraw/zinc/35/28/64/132352864.db2.gz MOVCPRIFKUZYMD-SNVBAGLBSA-N 1 0 221.304 1.074 10 0 BDAERO C[C@H]1CC[C@H](C[NH3+])CN1c1ncccn1 ZINC000053704198 132363061 /nfs/dbraw/zinc/36/30/61/132363061.db2.gz QCUJHNOHOYGCIP-VHSXEESVSA-N 1 0 206.293 1.040 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc(F)cn1 ZINC000053704745 132363474 /nfs/dbraw/zinc/36/34/74/132363474.db2.gz VDNCKOBMAQYDDQ-NXEZZACHSA-N 1 0 223.295 1.784 10 0 BDAERO Cc1nc(N2CCCCC2)nc(C)c1C[NH3+] ZINC000054836901 132364993 /nfs/dbraw/zinc/36/49/93/132364993.db2.gz VOHJDOYTJXJRDT-UHFFFAOYSA-N 1 0 220.320 1.542 10 0 BDAERO CCN(C)C(=O)OC[C@H]1CCCC[NH2+]1 ZINC000086229853 169686827 /nfs/dbraw/zinc/68/68/27/169686827.db2.gz GMCXPAMZGGPINZ-SECBINFHSA-N 1 0 200.282 1.217 10 0 BDAERO CSCCCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000402086825 533535487 /nfs/dbraw/zinc/53/54/87/533535487.db2.gz PYDDIKPUMFUWKX-BDAKNGLRSA-N 1 0 216.350 1.078 10 0 BDAERO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CNC(=O)O1 ZINC000309102338 533619057 /nfs/dbraw/zinc/61/90/57/533619057.db2.gz GLQULIVWAFLUJO-OPRDCNLKSA-N 1 0 212.293 1.263 10 0 BDAERO C[NH2+]C[C@H](C)C(=O)N1CCCc2c(N)cccc21 ZINC000126538438 132229863 /nfs/dbraw/zinc/22/98/63/132229863.db2.gz YLYVLQWJHJARBG-JTQLQIEISA-N 1 0 247.342 1.404 10 0 BDAERO Cc1cc(C)nc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000301258376 132252004 /nfs/dbraw/zinc/25/20/04/132252004.db2.gz ULXHNWCLVPYKAP-ZDUSSCGKSA-N 1 0 246.358 1.768 10 0 BDAERO Cc1cc(N2CC[NH+](CC3CC3)CC2)nnc1C ZINC000302319943 132262816 /nfs/dbraw/zinc/26/28/16/132262816.db2.gz RCAJVGSRZKHFMX-UHFFFAOYSA-N 1 0 246.358 1.625 10 0 BDAERO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)C1CC1 ZINC000036932491 132295418 /nfs/dbraw/zinc/29/54/18/132295418.db2.gz FILVPBXHUHDADM-LLVKDONJSA-N 1 0 246.358 1.834 10 0 BDAERO CCc1cc(NN)[nH+]c(N2CCCCC2)n1 ZINC000051153054 132300604 /nfs/dbraw/zinc/30/06/04/132300604.db2.gz WOUOJUHLVLHKQU-UHFFFAOYSA-N 1 0 221.308 1.315 10 0 BDAERO CCc1nc(N2CCC(C)CC2)[nH+]c(NN)c1C ZINC000057331599 132301033 /nfs/dbraw/zinc/30/10/33/132301033.db2.gz VNAVUTJNINQCCH-UHFFFAOYSA-N 1 0 249.362 1.869 10 0 BDAERO CC1CCN(c2nc3c(c(NN)[nH+]2)CCC3)CC1 ZINC000057328580 132301270 /nfs/dbraw/zinc/30/12/70/132301270.db2.gz MFDMGXARORHMLW-UHFFFAOYSA-N 1 0 247.346 1.487 10 0 BDAERO c1nc2cc(N3CC[NH2+]CC3)ccc2o1 ZINC000062522819 132301957 /nfs/dbraw/zinc/30/19/57/132301957.db2.gz OAFHIUACDUCVDP-UHFFFAOYSA-N 1 0 203.245 1.237 10 0 BDAERO CC(C)c1nc(Cl)cc(N2CC[NH2+]CC2)n1 ZINC000073737468 132303301 /nfs/dbraw/zinc/30/33/01/132303301.db2.gz WRBUMQXISGLMOP-UHFFFAOYSA-N 1 0 240.738 1.663 10 0 BDAERO C[C@@H]1CN(c2cccc(Cl)n2)CC[NH2+]1 ZINC000013904440 132322282 /nfs/dbraw/zinc/32/22/82/132322282.db2.gz CGVOTFHOTLOYKI-MRVPVSSYSA-N 1 0 211.696 1.533 10 0 BDAERO [NH3+]CCCCN1c2ccccc2CCC1=O ZINC000019277916 132324638 /nfs/dbraw/zinc/32/46/38/132324638.db2.gz YSLVOCVGUWRNFI-UHFFFAOYSA-N 1 0 218.300 1.705 10 0 BDAERO CC[C@@H](C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000019403587 132324684 /nfs/dbraw/zinc/32/46/84/132324684.db2.gz XIEONGWSEGXCLQ-ZDUSSCGKSA-N 1 0 233.359 1.546 10 0 BDAERO [NH3+]Cc1ccccc1N1CCCC[C@H]1CCO ZINC000020075681 132329357 /nfs/dbraw/zinc/32/93/57/132329357.db2.gz GANPQXRFEOQJEM-ZDUSSCGKSA-N 1 0 234.343 1.887 10 0 BDAERO [NH3+]C[C@H]([C@@H]1CCOC1)N1CCCc2ccccc21 ZINC000022166192 132332279 /nfs/dbraw/zinc/33/22/79/132332279.db2.gz XLKJSFAHHDNIAN-UKRRQHHQSA-N 1 0 246.354 1.803 10 0 BDAERO CC(C)Oc1ccccc1N1CC[NH2+]CC1 ZINC000026001539 132333149 /nfs/dbraw/zinc/33/31/49/132333149.db2.gz QJULELIONYLITF-UHFFFAOYSA-N 1 0 220.316 1.883 10 0 in-vivo BDAERO O=C1Nc2cc(Cl)ccc2N2CC[NH2+]C[C@@H]12 ZINC000026150757 132333661 /nfs/dbraw/zinc/33/36/61/132333661.db2.gz KTWFXGPDYZYENI-JTQLQIEISA-N 1 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BDAERO CC(C)[NH2+]CCn1cnc2sccc2c1=O ZINC000042409950 167109645 /nfs/dbraw/zinc/10/96/45/167109645.db2.gz BIWGZTVDFXRGGF-UHFFFAOYSA-N 1 0 237.328 1.456 10 0 BDAERO CC(C)[NH2+]C[C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951310 167113055 /nfs/dbraw/zinc/11/30/55/167113055.db2.gz HGCVIDXEWUXXBX-VHSXEESVSA-N 1 0 219.350 1.055 10 0 BDAERO CC(C)[NH2+]C[C@@]1(C[C@@H]2CCCO2)CCOC1 ZINC000054665106 167113290 /nfs/dbraw/zinc/11/32/90/167113290.db2.gz QGJCNAJLJSAEHW-STQMWFEESA-N 1 0 227.348 1.960 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCN(c2cnn(C)c2)C1 ZINC000053031196 167113316 /nfs/dbraw/zinc/11/33/16/167113316.db2.gz OMFURHBOAGVHOM-NSHDSACASA-N 1 0 222.336 1.244 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCN(C(=O)NC2CC2)C1 ZINC000063138441 167115712 /nfs/dbraw/zinc/11/57/12/167115712.db2.gz NUABZCUYXFCJNI-LLVKDONJSA-N 1 0 239.363 1.568 10 0 BDAERO CC(C)[NH2+]Cc1c(N(C)C)nc2sccn12 ZINC000035429953 167117854 /nfs/dbraw/zinc/11/78/54/167117854.db2.gz IPTGHRZJMZUJFC-UHFFFAOYSA-N 1 0 238.360 1.960 10 0 BDAERO CC(C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000051489487 167120184 /nfs/dbraw/zinc/12/01/84/167120184.db2.gz WTEUODNZXVYIHO-UHFFFAOYSA-N 1 0 217.276 1.160 10 0 BDAERO CC(C)[NH2+]Cc1csc(CN(C)C)n1 ZINC000041046563 167121362 /nfs/dbraw/zinc/12/13/62/167121362.db2.gz AFCKHIYXGHDQCK-UHFFFAOYSA-N 1 0 213.350 1.703 10 0 BDAERO CC(C)[NH2+]Cc1nnc(-c2ccccn2)o1 ZINC000050616071 167122912 /nfs/dbraw/zinc/12/29/12/167122912.db2.gz CHTLXSZWCPBLNL-UHFFFAOYSA-N 1 0 218.260 1.630 10 0 BDAERO CC(C)[NH2+][C@@H](C(N)=O)c1ccc(F)c(F)c1 ZINC000037869323 167130094 /nfs/dbraw/zinc/13/00/94/167130094.db2.gz BNSDSQWCHZFLRW-SNVBAGLBSA-N 1 0 228.242 1.489 10 0 BDAERO CC(C)OC(=O)N1CCC(C)([NH3+])CC1 ZINC000039084804 167161415 /nfs/dbraw/zinc/16/14/15/167161415.db2.gz UHBZMAWAUCXGCR-UHFFFAOYSA-N 1 0 200.282 1.345 10 0 BDAERO CC(C)OC(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000044240677 167166064 /nfs/dbraw/zinc/16/60/64/167166064.db2.gz YBOHMRDKJMXPFA-IUCAKERBSA-N 1 0 200.282 1.391 10 0 BDAERO CC(C)OCCC[NH2+]CCOC1CCOCC1 ZINC000053591095 167220016 /nfs/dbraw/zinc/22/00/16/167220016.db2.gz PBINDTLNKQRWHA-UHFFFAOYSA-N 1 0 245.363 1.587 10 0 BDAERO CC(C)OCCOc1ccccc1C(N)=[NH2+] ZINC000020076658 167249060 /nfs/dbraw/zinc/24/90/60/167249060.db2.gz ALVMZSXXWIRMGF-UHFFFAOYSA-N 1 0 222.288 1.774 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336735259 167257223 /nfs/dbraw/zinc/25/72/23/167257223.db2.gz HYHJXULHWMJHIE-GMTAPVOTSA-N 1 0 228.336 1.057 10 0 BDAERO CC(C)Oc1ccc([C@H]([NH3+])Cn2cncn2)cc1 ZINC000019255537 167301205 /nfs/dbraw/zinc/30/12/05/167301205.db2.gz GVETZYNPMGCLSM-CYBMUJFWSA-N 1 0 246.314 1.765 10 0 BDAERO CC(C)[C@@H](C(=O)[O-])[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042394621 167343946 /nfs/dbraw/zinc/34/39/46/167343946.db2.gz MEFGOEZPNUJLFU-LBPRGKRZSA-N 1 0 242.363 1.369 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N1CCC[NH2+]CC1 ZINC000236656088 167355885 /nfs/dbraw/zinc/35/58/85/167355885.db2.gz SSCNIZRQEBGXJU-NSHDSACASA-N 1 0 212.337 1.491 10 0 BDAERO CC(C)[C@@H](C)CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129273616 167360291 /nfs/dbraw/zinc/36/02/91/167360291.db2.gz ZIXJABYYEUZZDK-VHSXEESVSA-N 1 0 212.337 1.250 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000037991243 167362796 /nfs/dbraw/zinc/36/27/96/167362796.db2.gz HLVVEMIQAIGTPN-LLVKDONJSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@@H](Cc1ccccn1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000655497765 410964795 /nfs/dbraw/zinc/96/47/95/410964795.db2.gz VQOJFCUKNMURAA-RYUDHWBXSA-N 1 0 247.342 1.128 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000300393294 411121090 /nfs/dbraw/zinc/12/10/90/411121090.db2.gz XQNAEGGSIRSCFY-MXWKQRLJSA-N 1 0 228.336 1.044 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@]3(CCOC3)C2)C1 ZINC000659999141 411162766 /nfs/dbraw/zinc/16/27/66/411162766.db2.gz WRLOQZPMHCYDIA-MCIONIFRSA-N 1 0 239.359 1.650 10 0 BDAERO CC(C)n1cc(NC(=O)[C@H]2CC[NH2+]C2)cn1 ZINC000062116985 167754415 /nfs/dbraw/zinc/75/44/15/167754415.db2.gz QICJZSSZYWLLHS-VIFPVBQESA-N 1 0 222.292 1.012 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC[C@@H]1CCCO1 ZINC000128971576 411192914 /nfs/dbraw/zinc/19/29/14/411192914.db2.gz ZMNBNMPGXGCFMX-WDEREUQCSA-N 1 0 228.336 1.045 10 0 BDAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C1CSC1 ZINC000393221363 411194781 /nfs/dbraw/zinc/19/47/81/411194781.db2.gz UVVHXYXPIDJACW-NXEZZACHSA-N 1 0 249.401 1.047 10 0 BDAERO [NH3+]Cc1cn(Cc2ccc3c(c2)CCC3)nn1 ZINC000070502094 411195629 /nfs/dbraw/zinc/19/56/29/411195629.db2.gz XPQCNPQQZZHJKT-UHFFFAOYSA-N 1 0 228.299 1.274 10 0 BDAERO CC1(C)[C@H]([NH2+]C2CC(CO)C2)[C@@H]2CCO[C@H]21 ZINC000658354516 411199781 /nfs/dbraw/zinc/19/97/81/411199781.db2.gz CYSDEIBIROWNEK-JEDMMJBGSA-N 1 0 225.332 1.160 10 0 BDAERO OCC1CC([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000658353996 411245762 /nfs/dbraw/zinc/24/57/62/411245762.db2.gz VDXFAJUPNJKYGX-WXRRBKDZSA-N 1 0 239.359 1.696 10 0 BDAERO CC(C)n1nccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000354481401 167793873 /nfs/dbraw/zinc/79/38/73/167793873.db2.gz RZDYSTFWSYHDJA-AAEUAGOBSA-N 1 0 237.347 1.715 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)c1cccnc1 ZINC000129077740 411218044 /nfs/dbraw/zinc/21/80/44/411218044.db2.gz KBGOPNHRCKDFSL-LLVKDONJSA-N 1 0 221.304 1.418 10 0 BDAERO Cc1nnsc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000309735571 411219321 /nfs/dbraw/zinc/21/93/21/411219321.db2.gz GKYSAIMDNNHLJS-ZJUUUORDSA-N 1 0 241.360 1.487 10 0 BDAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC000658057028 411222465 /nfs/dbraw/zinc/22/24/65/411222465.db2.gz ZRERJIZKIZPYOF-DTWKUNHWSA-N 1 0 224.329 1.596 10 0 BDAERO C[C@H]1CSCCN1C(=O)C1CCC([NH3+])CC1 ZINC000069761907 411223163 /nfs/dbraw/zinc/22/31/63/411223163.db2.gz KONURRGMCZBPGP-WHXUTIOJSA-N 1 0 242.388 1.468 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@]1(C)CCCS1 ZINC000129146061 411232853 /nfs/dbraw/zinc/23/28/53/411232853.db2.gz OPHLLKOWNOHDKD-PWSUYJOCSA-N 1 0 244.404 1.762 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccnc(N)c2)C1 ZINC000616634395 411240385 /nfs/dbraw/zinc/24/03/85/411240385.db2.gz RMDZFXBZHVEWKC-NSHDSACASA-N 1 0 234.347 1.409 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccc(N)nc2)C1 ZINC000616632414 411240924 /nfs/dbraw/zinc/24/09/24/411240924.db2.gz QKPZNCONGQYKMN-LLVKDONJSA-N 1 0 234.347 1.409 10 0 BDAERO CC(C)[C@H](C)n1nnc2c1C[C@@H]([NH3+])CC2 ZINC000536958836 411265960 /nfs/dbraw/zinc/26/59/60/411265960.db2.gz INPBLEPSPBKIOA-IUCAKERBSA-N 1 0 208.309 1.311 10 0 BDAERO c1ccc([C@@]23CC[N@@H+](C4CC4)C[C@@H]2O3)nc1 ZINC000536958671 411265978 /nfs/dbraw/zinc/26/59/78/411265978.db2.gz HJTSPFOZHJHAQA-STQMWFEESA-N 1 0 216.284 1.544 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc2ccccc2[nH]1 ZINC000310805454 411284440 /nfs/dbraw/zinc/28/44/40/411284440.db2.gz UPKDDAAMZCLULC-GXSJLCMTSA-N 1 0 243.310 1.730 10 0 BDAERO CC[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)C(C)C ZINC000062901480 411329317 /nfs/dbraw/zinc/32/93/17/411329317.db2.gz CQBUBUQRCRGXNW-CMPLNLGQSA-N 1 0 212.337 1.537 10 0 BDAERO CO[C@H](C)c1nsc(N(C)CC(C)(C)[NH3+])n1 ZINC000656608791 411307842 /nfs/dbraw/zinc/30/78/42/411307842.db2.gz MNMSLXWYPCMCGX-SSDOTTSWSA-N 1 0 244.364 1.419 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccc(O)c1 ZINC000658241800 411308286 /nfs/dbraw/zinc/30/82/86/411308286.db2.gz GEJAOYXHGLQKID-QWRGUYRKSA-N 1 0 248.326 1.521 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000658239906 411309201 /nfs/dbraw/zinc/30/92/01/411309201.db2.gz OAWKWPSIXRRIMM-VOAKCMCISA-N 1 0 238.375 1.879 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1ncc(Cl)cc1F ZINC000656611664 411309858 /nfs/dbraw/zinc/30/98/58/411309858.db2.gz FDHYWZZDGQXWTJ-UHFFFAOYSA-N 1 0 241.697 1.802 10 0 BDAERO CN1C[C@H](C[NH2+][C@H]2CCc3ccccc32)CC1=O ZINC000658245165 411310629 /nfs/dbraw/zinc/31/06/29/411310629.db2.gz PTTSFTVGDDVEQB-FZMZJTMJSA-N 1 0 244.338 1.742 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1nc(C2CC2)ns1 ZINC000656611057 411310614 /nfs/dbraw/zinc/31/06/14/411310614.db2.gz QYSZZUCWLBDKQY-UHFFFAOYSA-N 1 0 236.344 1.343 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCCCC1 ZINC000128853728 411253265 /nfs/dbraw/zinc/25/32/65/411253265.db2.gz NFONARHFBMFZBO-NSHDSACASA-N 1 0 212.337 1.762 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccnc1 ZINC000128854988 411253370 /nfs/dbraw/zinc/25/33/70/411253370.db2.gz LCKWKRRMIYYBGD-JTQLQIEISA-N 1 0 207.277 1.394 10 0 BDAERO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CCO1 ZINC000069862582 411361774 /nfs/dbraw/zinc/36/17/74/411361774.db2.gz AJAXDDCKNXFSMP-TUAOUCFPSA-N 1 0 227.348 1.837 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@@]1(C)CO ZINC000662144738 411366809 /nfs/dbraw/zinc/36/68/09/411366809.db2.gz UOFLVKHOZLWUAO-SYQHCUMBSA-N 1 0 241.375 1.488 10 0 BDAERO CC[C@H](C)CCNC(=O)C1([NH3+])CCOCC1 ZINC000659340343 411367811 /nfs/dbraw/zinc/36/78/11/411367811.db2.gz KGWLZAFEXCOMGI-JTQLQIEISA-N 1 0 228.336 1.047 10 0 BDAERO CC1(C)C[C@@H]1NC(=O)C1(C[NH3+])CCCCC1 ZINC000045135470 167985977 /nfs/dbraw/zinc/98/59/77/167985977.db2.gz OLBJRSXUUHJBNX-JTQLQIEISA-N 1 0 224.348 1.810 10 0 BDAERO CC1(C)[C@H]([NH2+]CCc2cn[nH]c2)[C@@H]2CCO[C@H]21 ZINC000353614525 168005822 /nfs/dbraw/zinc/00/58/22/168005822.db2.gz XWTRBBAJMYNFIA-QJPTWQEYSA-N 1 0 235.331 1.355 10 0 BDAERO CC(C)(C)NC(=O)OCC1(C)C[NH2+]C1 ZINC000095936492 168052029 /nfs/dbraw/zinc/05/20/29/168052029.db2.gz UGNUNOOZJKNUSB-UHFFFAOYSA-N 1 0 200.282 1.121 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)NC1(C)CCCC1 ZINC000077492548 168059827 /nfs/dbraw/zinc/05/98/27/168059827.db2.gz SKQBSMCXSSLPEN-VIFPVBQESA-N 1 0 212.337 1.809 10 0 BDAERO CC1([NH2+]C[C@@H]2CNCCO2)CCCCC1 ZINC000045047246 168062356 /nfs/dbraw/zinc/06/23/56/168062356.db2.gz PCQZHUVKAQLNLX-NSHDSACASA-N 1 0 212.337 1.287 10 0 BDAERO C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)C1CC1 ZINC000659250974 411381483 /nfs/dbraw/zinc/38/14/83/411381483.db2.gz BZWQIMSVUHMZKR-SECBINFHSA-N 1 0 222.332 1.563 10 0 BDAERO CC1CCC(C[NH3+])(NC(=O)c2ccncc2)CC1 ZINC000104306706 168153942 /nfs/dbraw/zinc/15/39/42/168153942.db2.gz VQJQHELELWZMAW-UHFFFAOYSA-N 1 0 247.342 1.719 10 0 BDAERO CC1CCC([N@H+](C)CCNCC[NH+](C)C)CC1 ZINC000053443407 168158716 /nfs/dbraw/zinc/15/87/16/168158716.db2.gz SQASNVSKWIATFH-UHFFFAOYSA-N 1 0 241.423 1.648 10 0 BDAERO CC1CCC(c2nnc(CC[NH3+])[nH]2)CC1 ZINC000061844119 168169979 /nfs/dbraw/zinc/16/99/79/168169979.db2.gz BSADBYFIMAVPEL-UHFFFAOYSA-N 1 0 208.309 1.600 10 0 BDAERO CC1CC[NH+]([C@@]2(CN)CCCSC2)CC1 ZINC000061589825 168187188 /nfs/dbraw/zinc/18/71/88/168187188.db2.gz XXKHIQRTQIIEAO-GFCCVEGCSA-N 1 0 228.405 1.943 10 0 BDAERO CCC(=O)N(CCC[NH3+])c1ccc(OC)cc1 ZINC000020233716 168214151 /nfs/dbraw/zinc/21/41/51/168214151.db2.gz AVRGQTGINXAEHM-UHFFFAOYSA-N 1 0 236.315 1.787 10 0 BDAERO CCC(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036260628 168237088 /nfs/dbraw/zinc/23/70/88/168237088.db2.gz IMCUMMLUXRXCML-LLVKDONJSA-N 1 0 224.348 1.968 10 0 BDAERO CCC(=O)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036260630 168241327 /nfs/dbraw/zinc/24/13/27/168241327.db2.gz IMCUMMLUXRXCML-NSHDSACASA-N 1 0 224.348 1.968 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)OCC[NH2+]C(C)C ZINC000051862822 168295168 /nfs/dbraw/zinc/29/51/68/168295168.db2.gz MIWDTRKOKLXNCG-NSHDSACASA-N 1 0 244.379 1.694 10 0 BDAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H]1C ZINC000336760672 168302956 /nfs/dbraw/zinc/30/29/56/168302956.db2.gz MKFZZFFEFSMYRP-AEJSXWLSSA-N 1 0 212.337 1.678 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@H](C)[C@H]2CCCO2)n1 ZINC000657310491 411458951 /nfs/dbraw/zinc/45/89/51/411458951.db2.gz YYQLDFZJDRVWIY-NXEZZACHSA-N 1 0 209.293 1.375 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@@H](C)[C@@H]2CCCO2)n1 ZINC000657310492 411459262 /nfs/dbraw/zinc/45/92/62/411459262.db2.gz YYQLDFZJDRVWIY-UWVGGRQHSA-N 1 0 209.293 1.375 10 0 BDAERO CC(C)CC1(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000659380718 411395757 /nfs/dbraw/zinc/39/57/57/411395757.db2.gz BHMKJYFQPRDDGQ-JTQLQIEISA-N 1 0 210.321 1.291 10 0 BDAERO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CC)C2)CO1 ZINC000657324523 411464548 /nfs/dbraw/zinc/46/45/48/411464548.db2.gz CFYCEUBLATVPTF-YNEHKIRRSA-N 1 0 226.364 1.628 10 0 BDAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000659381690 411397621 /nfs/dbraw/zinc/39/76/21/411397621.db2.gz DPWPGNBLZSNMQD-NTWDBFDFSA-N 1 0 236.359 1.903 10 0 BDAERO CC[C@@H](C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000659341260 411399789 /nfs/dbraw/zinc/39/97/89/411399789.db2.gz URELDODNSDODMG-MNOVXSKESA-N 1 0 212.337 1.538 10 0 BDAERO CC(C)(F)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000659359827 411402052 /nfs/dbraw/zinc/40/20/52/411402052.db2.gz WQPUSVZHAHTYII-VIFPVBQESA-N 1 0 216.300 1.240 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000616637228 411406989 /nfs/dbraw/zinc/40/69/89/411406989.db2.gz KBFCIZPBZIDLFY-LBPRGKRZSA-N 1 0 219.332 1.826 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2c[nH]nc2N)C1 ZINC000616649868 411412411 /nfs/dbraw/zinc/41/24/11/411412411.db2.gz MOSOCKOXMBYZDP-JTQLQIEISA-N 1 0 224.308 1.164 10 0 BDAERO CCN(CCOC)c1[nH+]c(C)cc(C)c1CO ZINC000042494366 169867739 /nfs/dbraw/zinc/86/77/39/169867739.db2.gz RNEKTJHKNZENBP-UHFFFAOYSA-N 1 0 238.331 1.663 10 0 BDAERO C[C@]1(C(=O)N2CCCC(F)(F)C2)CCCC[NH2+]1 ZINC000405091335 411417018 /nfs/dbraw/zinc/41/70/18/411417018.db2.gz WGNPATJUBFPGDM-LLVKDONJSA-N 1 0 246.301 1.776 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(C(C)(C)C)no1 ZINC000070999688 411428500 /nfs/dbraw/zinc/42/85/00/411428500.db2.gz ZVQXMIQUTAGYLZ-MRVPVSSYSA-N 1 0 211.309 1.893 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccco2)no1 ZINC000071001760 411428537 /nfs/dbraw/zinc/42/85/37/411428537.db2.gz QDLFUJFEZCQZPP-QMMMGPOBSA-N 1 0 221.260 1.855 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cc2ccccc2[nH]1 ZINC000306058504 411432389 /nfs/dbraw/zinc/43/23/89/411432389.db2.gz VTNYFYANFMCZME-SECBINFHSA-N 1 0 231.299 1.506 10 0 BDAERO CC[C@@H]1CN(c2cc(C)nc(C)n2)CC[C@@H]1[NH3+] ZINC000122974161 411436555 /nfs/dbraw/zinc/43/65/55/411436555.db2.gz KIRBANQEYDGZJD-NEPJUHHUSA-N 1 0 234.347 1.657 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC1(CO)CCCCC1 ZINC000123202725 411439041 /nfs/dbraw/zinc/43/90/41/411439041.db2.gz JHBKLBBCDSVAFS-LLVKDONJSA-N 1 0 242.363 1.173 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2O)CO1 ZINC000657360781 411476631 /nfs/dbraw/zinc/47/66/31/411476631.db2.gz SVGUXAYWGRORGH-WHOHXGKFSA-N 1 0 213.321 1.447 10 0 BDAERO O[C@H](C[NH2+]CC[C@@H]1CCCO1)CC(F)(F)F ZINC000307947213 411489717 /nfs/dbraw/zinc/48/97/17/411489717.db2.gz LVSNWARTHVEPJQ-IUCAKERBSA-N 1 0 241.253 1.458 10 0 BDAERO CC[C@H](CC(F)F)C[N@@H+]1CCO[C@H](CO)C1 ZINC000659997310 411524074 /nfs/dbraw/zinc/52/40/74/411524074.db2.gz BGUNQRGBYBQZHW-ZJUUUORDSA-N 1 0 237.290 1.361 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000071511138 170000637 /nfs/dbraw/zinc/00/06/37/170000637.db2.gz DPXNSKZNUDQHLJ-GFCCVEGCSA-N 1 0 208.280 1.792 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2ccc(C)cc2)C1 ZINC000056894829 170001047 /nfs/dbraw/zinc/00/10/47/170001047.db2.gz RPJRNGBZCZXYAC-CYBMUJFWSA-N 1 0 204.317 1.961 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2ncccn2)C1 ZINC000037484450 170008880 /nfs/dbraw/zinc/00/88/80/170008880.db2.gz XMRDNHRVNJJIIT-JTQLQIEISA-N 1 0 206.293 1.230 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2cccc(F)n2)C1 ZINC000040712225 170009348 /nfs/dbraw/zinc/00/93/48/170009348.db2.gz ZPZDOHPLELANBZ-JTQLQIEISA-N 1 0 223.295 1.974 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2ccc(F)cn2)C1 ZINC000041045408 170009586 /nfs/dbraw/zinc/00/95/86/170009586.db2.gz PUWPHJJVXLKDFQ-JTQLQIEISA-N 1 0 223.295 1.974 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2nsnc2Cl)C1 ZINC000037484463 170016404 /nfs/dbraw/zinc/01/64/04/170016404.db2.gz JDHSTGGLCXBYPM-SSDOTTSWSA-N 1 0 246.767 1.945 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C)C1 ZINC000334576633 170018675 /nfs/dbraw/zinc/01/86/75/170018675.db2.gz AHIIDEXPPKWAOM-VIFPVBQESA-N 1 0 213.325 1.178 10 0 BDAERO CC[N@@H+]1CC[C@]12CCN(C(=O)c1cc(C)on1)C2 ZINC000096075916 170024196 /nfs/dbraw/zinc/02/41/96/170024196.db2.gz GZTDWQBCUOVRHS-ZDUSSCGKSA-N 1 0 249.314 1.293 10 0 BDAERO CCN1C[C@H]([NH2+]Cc2cnc(C)s2)[C@@H](C)C1 ZINC000309453732 170036515 /nfs/dbraw/zinc/03/65/15/170036515.db2.gz LUDWGVCMXVPHFI-CABZTGNLSA-N 1 0 239.388 1.881 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CCOC)C1 ZINC000336769764 170039365 /nfs/dbraw/zinc/03/93/65/170039365.db2.gz VBYNYKBBXBIALD-QJPTWQEYSA-N 1 0 214.353 1.341 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000309959437 170039471 /nfs/dbraw/zinc/03/94/71/170039471.db2.gz KHIXCOIJICXYGL-UMSGYPCISA-N 1 0 226.364 1.484 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000336778758 170039623 /nfs/dbraw/zinc/03/96/23/170039623.db2.gz MFSSFAHPOFQMHH-UMSGYPCISA-N 1 0 226.364 1.341 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000336778921 170039940 /nfs/dbraw/zinc/03/99/40/170039940.db2.gz MRYFIHMWVZEGGX-UMSGYPCISA-N 1 0 226.364 1.484 10 0 BDAERO CCNC(=O)CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102927042 170050433 /nfs/dbraw/zinc/05/04/33/170050433.db2.gz YLCGTIFFYVLUFH-GFCCVEGCSA-N 1 0 224.348 1.777 10 0 BDAERO CCNC(=O)CC[N@H+](CCN)C1CCCCC1 ZINC000104312966 170050957 /nfs/dbraw/zinc/05/09/57/170050957.db2.gz GDRYCNCTYXUNCX-UHFFFAOYSA-N 1 0 241.379 1.106 10 0 BDAERO CCNC(=O)CC[NH2+][C@H]1CCc2c1cccc2O ZINC000228330670 170052728 /nfs/dbraw/zinc/05/27/28/170052728.db2.gz FDZHMNIBYGXJOI-LBPRGKRZSA-N 1 0 248.326 1.495 10 0 BDAERO CCNC(=O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000036852805 170065599 /nfs/dbraw/zinc/06/55/99/170065599.db2.gz AYTJMTZASZTVEP-NSHDSACASA-N 1 0 234.299 1.105 10 0 BDAERO CCNC(=O)COc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745860 170067162 /nfs/dbraw/zinc/06/71/62/170067162.db2.gz XDOORVAPMWOLHN-MRVPVSSYSA-N 1 0 240.278 1.360 10 0 BDAERO CCNC(=O)C[C@@H]([NH3+])c1ccc(OCC)cc1 ZINC000041270905 170069254 /nfs/dbraw/zinc/06/92/54/170069254.db2.gz HJMZVJQDNLZGER-GFCCVEGCSA-N 1 0 236.315 1.611 10 0 BDAERO CCNC(=O)N(C)c1ccccc1C[NH3+] ZINC000082640397 170071616 /nfs/dbraw/zinc/07/16/16/170071616.db2.gz UIFGRSQZTNNDOU-UHFFFAOYSA-N 1 0 207.277 1.311 10 0 BDAERO CCNC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000037916225 170073243 /nfs/dbraw/zinc/07/32/43/170073243.db2.gz KCUCJNGODSGNLU-QWRGUYRKSA-N 1 0 225.336 1.180 10 0 BDAERO CCNC(=O)[C@@H](C[NH3+])Cc1cccc(C)c1C ZINC000050304037 170089790 /nfs/dbraw/zinc/08/97/90/170089790.db2.gz NMXIWWRQJDXKGC-CYBMUJFWSA-N 1 0 234.343 1.557 10 0 BDAERO CCNC(=O)[C@H](C)N(CC[NH3+])C1CCCCC1 ZINC000104312975 170092436 /nfs/dbraw/zinc/09/24/36/170092436.db2.gz RTHQSUFTPNKDHN-NSHDSACASA-N 1 0 241.379 1.104 10 0 BDAERO CCNC(=O)[C@H](CC[NH3+])c1ccc(OC)cc1 ZINC000076618956 170097340 /nfs/dbraw/zinc/09/73/40/170097340.db2.gz JLGSOUZFCGQQAZ-GFCCVEGCSA-N 1 0 236.315 1.264 10 0 BDAERO CCNC(=O)[C@]1(c2ccccc2)C[C@H]1C[NH3+] ZINC000026964706 170099276 /nfs/dbraw/zinc/09/92/76/170099276.db2.gz UVKUMJGXPDEXSQ-AAEUAGOBSA-N 1 0 218.300 1.039 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1cccnc1 ZINC000061289376 170106891 /nfs/dbraw/zinc/10/68/91/170106891.db2.gz PTIARTMYLLMZHI-UHFFFAOYSA-N 1 0 235.331 1.428 10 0 BDAERO CC[NH2+]C1CCC(NC(=O)NC(C)C)CC1 ZINC000036880940 170108852 /nfs/dbraw/zinc/10/88/52/170108852.db2.gz VIXSFFZXSBXXET-UHFFFAOYSA-N 1 0 227.352 1.615 10 0 BDAERO CC[NH2+]CC(=O)c1ccc2c(c1)OCCCO2 ZINC000049827210 170110922 /nfs/dbraw/zinc/11/09/22/170110922.db2.gz GQFVACNFFZJPJM-UHFFFAOYSA-N 1 0 235.283 1.640 10 0 BDAERO CC[NH2+]CCC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000061299378 170112033 /nfs/dbraw/zinc/11/20/33/170112033.db2.gz YVZWEAGEOQTYPK-GHMZBOCLSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]CCC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000061299375 170112035 /nfs/dbraw/zinc/11/20/35/170112035.db2.gz YVZWEAGEOQTYPK-QWRGUYRKSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]CCCNc1ccccc1C(N)=O ZINC000038043428 170112336 /nfs/dbraw/zinc/11/23/36/170112336.db2.gz RBLNBDSIQDETPD-UHFFFAOYSA-N 1 0 221.304 1.197 10 0 BDAERO CC[NH2+]CCn1ncc2ccccc2c1=O ZINC000042409881 170118089 /nfs/dbraw/zinc/11/80/89/170118089.db2.gz MYKSSPBONIFXGX-UHFFFAOYSA-N 1 0 217.272 1.006 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCc2ncccc2C1 ZINC000061234173 170118699 /nfs/dbraw/zinc/11/86/99/170118699.db2.gz SGILAEXHLFLHFL-LLVKDONJSA-N 1 0 247.342 1.212 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cc(C)c(C)cc1C ZINC000033466182 170119177 /nfs/dbraw/zinc/11/91/77/170119177.db2.gz PSYGAZUBFXAZJK-CYBMUJFWSA-N 1 0 237.343 1.961 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccccc1F ZINC000032012797 170119375 /nfs/dbraw/zinc/11/93/75/170119375.db2.gz WTBNMKRFAWVLSK-SECBINFHSA-N 1 0 213.252 1.175 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1cnccn1 ZINC000053696487 170120024 /nfs/dbraw/zinc/12/00/24/170120024.db2.gz QYJGTXWJDGRRDQ-JTQLQIEISA-N 1 0 206.293 1.055 10 0 BDAERO CC[NH2+]C[C@@H]1CC[C@@H](COC2CCOCC2)O1 ZINC000052597307 170120129 /nfs/dbraw/zinc/12/01/29/170120129.db2.gz LYICVUCPUYIFPF-STQMWFEESA-N 1 0 243.347 1.339 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(Cc2noc(C)n2)C1 ZINC000104409008 170120324 /nfs/dbraw/zinc/12/03/24/170120324.db2.gz HWAKCQWYDFKCPM-NSHDSACASA-N 1 0 238.335 1.200 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccccc1OCCOC ZINC000033468677 170120435 /nfs/dbraw/zinc/12/04/35/170120435.db2.gz QTHNGYYVBFBMSP-GFCCVEGCSA-N 1 0 239.315 1.355 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@@H](C)CC ZINC000061229127 170120667 /nfs/dbraw/zinc/12/06/67/170120667.db2.gz ZJRTXSCJJWPIQZ-UWVGGRQHSA-N 1 0 200.326 1.489 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@H](C)CC ZINC000061229123 170121226 /nfs/dbraw/zinc/12/12/26/170121226.db2.gz ZJRTXSCJJWPIQZ-VHSXEESVSA-N 1 0 200.326 1.489 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cccc(OCC)c1 ZINC000033468606 170121555 /nfs/dbraw/zinc/12/15/55/170121555.db2.gz XDABRVIRWLZBHM-NSHDSACASA-N 1 0 239.315 1.435 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cccc2c1CCCC2 ZINC000032104653 170121831 /nfs/dbraw/zinc/12/18/31/170121831.db2.gz IUUBJAUWXQPLKP-ZDUSSCGKSA-N 1 0 249.354 1.915 10 0 BDAERO CC[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000216716643 170122180 /nfs/dbraw/zinc/12/21/80/170122180.db2.gz VJRACYXJGFHJHI-QMMMGPOBSA-N 1 0 202.298 1.509 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccccc1F ZINC000032012798 170122249 /nfs/dbraw/zinc/12/22/49/170122249.db2.gz WTBNMKRFAWVLSK-VIFPVBQESA-N 1 0 213.252 1.175 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000033465476 170122276 /nfs/dbraw/zinc/12/22/76/170122276.db2.gz XHVHUSVSXBYZIS-ZDUSSCGKSA-N 1 0 235.327 1.525 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000037864496 170122762 /nfs/dbraw/zinc/12/27/62/170122762.db2.gz CGURBDASJWWYEC-JTQLQIEISA-N 1 0 201.216 1.608 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1ccccn1 ZINC000053696553 170122929 /nfs/dbraw/zinc/12/29/29/170122929.db2.gz INWIRSCJEIEOAJ-LLVKDONJSA-N 1 0 205.305 1.660 10 0 BDAERO CC[NH2+]Cc1c(-n2cncn2)nc2sccn12 ZINC000035430366 170123358 /nfs/dbraw/zinc/12/33/58/170123358.db2.gz HTXJQFYEOUBDLG-UHFFFAOYSA-N 1 0 248.315 1.086 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1ccc(OC)c(OC)c1 ZINC000033468616 170123557 /nfs/dbraw/zinc/12/35/57/170123557.db2.gz DFPXWPCNDUAQHI-ZDUSSCGKSA-N 1 0 239.315 1.521 10 0 BDAERO CC[NH2+]Cc1c(C)nn(C)c1N1C[C@H]2CC[C@@H]1C2 ZINC000049716453 170124013 /nfs/dbraw/zinc/12/40/13/170124013.db2.gz MCNABIFPVPEPCH-NWDGAFQWSA-N 1 0 248.374 1.827 10 0 BDAERO CC[NH2+]Cc1cc(C)nc(-c2ncccn2)n1 ZINC000054831084 170125249 /nfs/dbraw/zinc/12/52/49/170125249.db2.gz MZMFNHGEJQPLTB-UHFFFAOYSA-N 1 0 229.287 1.352 10 0 BDAERO CC[NH2+]Cc1cc(CN2CCOC[C@@H]2C)on1 ZINC000052475871 170125271 /nfs/dbraw/zinc/12/52/71/170125271.db2.gz KOJZFKWSFCJBMU-JTQLQIEISA-N 1 0 239.319 1.005 10 0 BDAERO CC[NH2+]Cc1cc(CN2CCCOCC2)on1 ZINC000061935797 170125301 /nfs/dbraw/zinc/12/53/01/170125301.db2.gz WRYRWNRYYWKKQS-UHFFFAOYSA-N 1 0 239.319 1.006 10 0 BDAERO CC[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000054791332 170129070 /nfs/dbraw/zinc/12/90/70/170129070.db2.gz RKFFTOXHDMGDNB-UHFFFAOYSA-N 1 0 214.272 1.648 10 0 BDAERO CC[NH2+]Cc1cnn([C@@H]2CCC[C@@H]2O)c1C ZINC000054599555 170130047 /nfs/dbraw/zinc/13/00/47/170130047.db2.gz YQBJIXQJLQDCEO-NEPJUHHUSA-N 1 0 223.320 1.387 10 0 BDAERO CC[NH2+]Cc1cnn([C@H]2CCCC[C@@H]2O)c1C ZINC000054600034 170130097 /nfs/dbraw/zinc/13/00/97/170130097.db2.gz YPRYOIUXQQCXIQ-STQMWFEESA-N 1 0 237.347 1.777 10 0 BDAERO CC[NH2+]Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000044623654 170131219 /nfs/dbraw/zinc/13/12/19/170131219.db2.gz NWWZCRUSUOGPDL-UHFFFAOYSA-N 1 0 233.271 1.444 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N(CCO)C(CC)CC ZINC000061274261 170138845 /nfs/dbraw/zinc/13/88/45/170138845.db2.gz PTRARGNREIZZNG-NSHDSACASA-N 1 0 244.379 1.384 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)Nc1nc(C)cc(C)n1 ZINC000061269253 170139213 /nfs/dbraw/zinc/13/92/13/170139213.db2.gz SAVASMMNPGQZSQ-QMMMGPOBSA-N 1 0 236.319 1.420 10 0 BDAERO CC[NH2+][C@@H](C)[C@@H](C)c1nc(-c2cnccn2)no1 ZINC000104072814 170139896 /nfs/dbraw/zinc/13/98/96/170139896.db2.gz XVAYGWKHBXFTBR-BDAKNGLRSA-N 1 0 247.302 1.628 10 0 BDAERO CC[NH2+][C@@H](C)Cc1cn2ccsc2n1 ZINC000076788180 170140110 /nfs/dbraw/zinc/14/01/10/170140110.db2.gz NLOGTVMCNQAIAD-QMMMGPOBSA-N 1 0 209.318 1.936 10 0 BDAERO CC[NH2+][C@@H](C)c1sc(-c2nc[nH]n2)nc1C ZINC000040994500 170143292 /nfs/dbraw/zinc/14/32/92/170143292.db2.gz LAEGCBFCVNLADA-LURJTMIESA-N 1 0 237.332 1.907 10 0 BDAERO CC[NH2+][C@@H](CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000062456646 170145002 /nfs/dbraw/zinc/14/50/02/170145002.db2.gz TZSIKAQCYKBWED-QWRGUYRKSA-N 1 0 244.379 1.806 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@H]1CN1CCOCC1 ZINC000060720692 170150843 /nfs/dbraw/zinc/15/08/43/170150843.db2.gz OYPXHFVSDOOYBK-QWHCGFSZSA-N 1 0 226.364 1.487 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccncc2)C1 ZINC000037483523 170152326 /nfs/dbraw/zinc/15/23/26/170152326.db2.gz YIQPTPIYVXAAAJ-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@H](C)Cc2ccccc2)C1=O ZINC000062187433 170152432 /nfs/dbraw/zinc/15/24/32/170152432.db2.gz QMCJREZKNLKPBH-TZMCWYRMSA-N 1 0 246.354 1.828 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cnn(C)c2)[C@H](C)C1 ZINC000049711156 170152666 /nfs/dbraw/zinc/15/26/66/170152666.db2.gz BAJVXUJMHALKCG-GHMZBOCLSA-N 1 0 222.336 1.387 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccncc2)C1 ZINC000037483663 170153024 /nfs/dbraw/zinc/15/30/24/170153024.db2.gz WADBAUNRUTZSPX-WCQYABFASA-N 1 0 219.332 1.826 10 0 BDAERO CC[NH2+][C@H](c1nccs1)[C@H]1CCOC1 ZINC000041060936 170165015 /nfs/dbraw/zinc/16/50/15/170165015.db2.gz NYLFAASNFHOHAO-IUCAKERBSA-N 1 0 212.318 1.830 10 0 BDAERO CC[NH2+][C@H](c1ccco1)[C@@H]1COCCO1 ZINC000055301157 170164776 /nfs/dbraw/zinc/16/47/76/170164776.db2.gz AYBBILNZPAVDLS-WDEREUQCSA-N 1 0 211.261 1.346 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cc(F)ccc2F)C1=O ZINC000049647404 170167640 /nfs/dbraw/zinc/16/76/40/170167640.db2.gz DGVOJHRAPCPOBH-JTQLQIEISA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc(OC)c(C)c2)C1=O ZINC000049660055 170167653 /nfs/dbraw/zinc/16/76/53/170167653.db2.gz HCOGHKKUDOMXDA-LBPRGKRZSA-N 1 0 248.326 1.718 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cccc(OC)c2)C1 ZINC000037242110 170167947 /nfs/dbraw/zinc/16/79/47/170167947.db2.gz CDAPOBVIHIYYSZ-NSHDSACASA-N 1 0 220.316 1.883 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccc(C)nc2)C1 ZINC000062053638 170168192 /nfs/dbraw/zinc/16/81/92/170168192.db2.gz NALMOPYXBZCVDD-ZDUSSCGKSA-N 1 0 219.332 1.574 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cc(C)ccc2F)C1=O ZINC000049647966 170168210 /nfs/dbraw/zinc/16/82/10/170168210.db2.gz GFHISUBNKLLZCJ-NSHDSACASA-N 1 0 236.290 1.849 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@@H]1n1nc(C)cc1C ZINC000043994736 170168753 /nfs/dbraw/zinc/16/87/53/170168753.db2.gz FGMGPSGEDORDFY-RYUDHWBXSA-N 1 0 223.320 1.439 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cnn(C)c2)[C@H](C)C1 ZINC000049711158 170168930 /nfs/dbraw/zinc/16/89/30/170168930.db2.gz BAJVXUJMHALKCG-MNOVXSKESA-N 1 0 222.336 1.387 10 0 BDAERO CC[NH2+][C@](C)(CO)c1ccc(F)c(F)c1 ZINC000038120106 170170770 /nfs/dbraw/zinc/17/07/70/170170770.db2.gz GCNMZKORYRJGST-LLVKDONJSA-N 1 0 215.243 1.782 10 0 BDAERO CCOC(=O)CN[C@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000037563760 170226383 /nfs/dbraw/zinc/22/63/83/170226383.db2.gz RJHVSUHXAZMCRB-VXGBXAGGSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC000037470276 170238275 /nfs/dbraw/zinc/23/82/75/170238275.db2.gz IZJKZWSOCAUAFZ-SECBINFHSA-N 1 0 200.282 1.217 10 0 BDAERO CCOC(=O)N(CC[NH3+])Cc1ccc(C)o1 ZINC000253563860 170238620 /nfs/dbraw/zinc/23/86/20/170238620.db2.gz FVZBUZNSPXIQHM-UHFFFAOYSA-N 1 0 226.276 1.505 10 0 BDAERO CCOC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000037916194 170239078 /nfs/dbraw/zinc/23/90/78/170239078.db2.gz SXXARKFROTZFTE-WDEREUQCSA-N 1 0 226.320 1.607 10 0 BDAERO CCOC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000062568584 170240075 /nfs/dbraw/zinc/24/00/75/170240075.db2.gz ZOYMGCKQHLGTEG-VIFPVBQESA-N 1 0 200.282 1.073 10 0 BDAERO CCOC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000062568600 170240367 /nfs/dbraw/zinc/24/03/67/170240367.db2.gz ZDSBXZOKZPFZLV-SECBINFHSA-N 1 0 200.282 1.073 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000019421780 170242694 /nfs/dbraw/zinc/24/26/94/170242694.db2.gz WADURNAEDNJYRX-NSHDSACASA-N 1 0 222.288 1.741 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])Cc1ccc(O)c(F)c1 ZINC000076160689 170251654 /nfs/dbraw/zinc/25/16/54/170251654.db2.gz WAOJBHALRMTFIX-SECBINFHSA-N 1 0 241.262 1.212 10 0 BDAERO CCOC(=O)[C@@H](C[N@H+](C)CC1CCCC1)NC ZINC000104353837 170251771 /nfs/dbraw/zinc/25/17/71/170251771.db2.gz WVFOAVSFPRBBNU-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@@](F)(C[NH3+])c1ccccc1 ZINC000107272308 170262703 /nfs/dbraw/zinc/26/27/03/170262703.db2.gz BKYUGIHVSDYXFJ-LLVKDONJSA-N 1 0 211.236 1.373 10 0 BDAERO CCOC(=O)c1cccc(NC(N)=[NH2+])c1 ZINC000073640659 170298533 /nfs/dbraw/zinc/29/85/33/170298533.db2.gz PUOPXZYDVBKPCV-UHFFFAOYSA-N 1 0 207.233 1.169 10 0 BDAERO CCOCC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000037915832 170340394 /nfs/dbraw/zinc/34/03/94/170340394.db2.gz RTNVJLSDQGPPCR-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO CCOCCC(=O)Nc1ccc(CC[NH3+])cc1 ZINC000053732554 170363060 /nfs/dbraw/zinc/36/30/60/170363060.db2.gz UXNFSUIDOLILHG-UHFFFAOYSA-N 1 0 236.315 1.553 10 0 BDAERO CCOCCC[N@@H+]1C[C@H](CC)NC[C@H]1CC ZINC000083088810 170375797 /nfs/dbraw/zinc/37/57/97/170375797.db2.gz ZYMUENHAXFUWGK-QWHCGFSZSA-N 1 0 228.380 1.875 10 0 BDAERO CCOCCC[NH2+]CCN1CCO[C@@H](CC)C1 ZINC000053382631 170380803 /nfs/dbraw/zinc/38/08/03/170380803.db2.gz IPKRDDKIOJSVJW-ZDUSSCGKSA-N 1 0 244.379 1.113 10 0 BDAERO CCOCCN(CC)c1ccnc(C[NH2+]C)c1 ZINC000104202960 170395545 /nfs/dbraw/zinc/39/55/45/170395545.db2.gz KRGHYSVHRATTNU-UHFFFAOYSA-N 1 0 237.347 1.664 10 0 BDAERO CCOCCN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000105914624 170399942 /nfs/dbraw/zinc/39/99/42/170399942.db2.gz NNVHGTDRDKPTRD-ZDUSSCGKSA-N 1 0 244.379 1.066 10 0 BDAERO CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000663371366 411638614 /nfs/dbraw/zinc/63/86/14/411638614.db2.gz RDOCFSQGFJYVCF-IJLUTSLNSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000657694235 411579467 /nfs/dbraw/zinc/57/94/67/411579467.db2.gz BFMRNBHSEONNPC-JHJVBQTASA-N 1 0 238.375 1.881 10 0 BDAERO CN1C[C@@H](C[NH2+]Cc2ccsc2)CC1=O ZINC000657694427 411580661 /nfs/dbraw/zinc/58/06/61/411580661.db2.gz MOKLGNINRSAWIX-SNVBAGLBSA-N 1 0 224.329 1.316 10 0 BDAERO Cc1cnc(C[NH2+]C[C@H]2CC(=O)N(C)C2)s1 ZINC000657697496 411581655 /nfs/dbraw/zinc/58/16/55/411581655.db2.gz SJMQCASOKBPNKN-SECBINFHSA-N 1 0 239.344 1.019 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC23CCOCC3)C1 ZINC000660418554 411581786 /nfs/dbraw/zinc/58/17/86/411581786.db2.gz CHZORVQFSPURPB-QWHCGFSZSA-N 1 0 239.359 1.792 10 0 BDAERO OCC1CC([NH2+]Cc2ccc(F)cc2F)C1 ZINC000657808156 411601078 /nfs/dbraw/zinc/60/10/78/411601078.db2.gz CACSMWRNHHUGGW-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO CC(C)(C)n1cc(C[NH2+]C2CC(CO)C2)cn1 ZINC000657812355 411603507 /nfs/dbraw/zinc/60/35/07/411603507.db2.gz JNVAWSYMFMBRAT-UHFFFAOYSA-N 1 0 237.347 1.499 10 0 BDAERO OCC1CC([NH2+]Cc2cccc3c2OCO3)C1 ZINC000657812709 411604286 /nfs/dbraw/zinc/60/42/86/411604286.db2.gz MAABZZLNEVIMHL-UHFFFAOYSA-N 1 0 235.283 1.276 10 0 BDAERO CCOc1ccc(C[C@@H](O)C[NH2+]C)cc1 ZINC000041218589 170547494 /nfs/dbraw/zinc/54/74/94/170547494.db2.gz QWBNHLSXHNRDAQ-LLVKDONJSA-N 1 0 209.289 1.208 10 0 BDAERO CCOc1cccc(CN(C)C(=O)CC[NH3+])c1 ZINC000033465787 170575357 /nfs/dbraw/zinc/57/53/57/170575357.db2.gz JTASFSXDWCEEOY-UHFFFAOYSA-N 1 0 236.315 1.393 10 0 BDAERO CCOc1cccc(OC(=O)NCC[NH3+])c1 ZINC000071531590 170582361 /nfs/dbraw/zinc/58/23/61/170582361.db2.gz NGYOAECSOWPYRL-UHFFFAOYSA-N 1 0 224.260 1.132 10 0 BDAERO CCOc1ccccc1N1CC[C@@H]([NH3+])C1 ZINC000037241106 170594541 /nfs/dbraw/zinc/59/45/41/170594541.db2.gz FMTJCPDNGPSJNQ-SNVBAGLBSA-N 1 0 206.289 1.623 10 0 BDAERO CCOc1nccnc1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000630531959 411719291 /nfs/dbraw/zinc/71/92/91/411719291.db2.gz DNDMWUGSDVOSGD-ZJUUUORDSA-N 1 0 236.319 1.428 10 0 BDAERO CC(C)(C)[N@@H+]1CC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616614819 411864029 /nfs/dbraw/zinc/86/40/29/411864029.db2.gz WAXMSFCUJRIPBO-MRVPVSSYSA-N 1 0 208.309 1.580 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000225545376 487620797 /nfs/dbraw/zinc/62/07/97/487620797.db2.gz GIFNHWBKGYAPFM-MJBXVCDLSA-N 1 0 246.354 1.861 10 0 BDAERO Cc1cccc(CC(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000133595028 411852666 /nfs/dbraw/zinc/85/26/66/411852666.db2.gz ZVJQFNXUFNEXAX-ZDUSSCGKSA-N 1 0 232.327 1.263 10 0 BDAERO CC[N@@H+]1CCC[C@@H](c2ccc(N)nc2)C1 ZINC000616617345 411858256 /nfs/dbraw/zinc/85/82/56/411858256.db2.gz SDIGUFPVLXGLKH-LLVKDONJSA-N 1 0 205.305 1.863 10 0 BDAERO CC[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000037149156 170758205 /nfs/dbraw/zinc/75/82/05/170758205.db2.gz WVSIAKIMMLDDGZ-RKDXNWHRSA-N 1 0 208.309 1.673 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccnc(N)c1 ZINC000616599557 411868036 /nfs/dbraw/zinc/86/80/36/411868036.db2.gz LHXSXHZHAHZTNY-GFCCVEGCSA-N 1 0 235.331 1.836 10 0 BDAERO C[N@@H+]1CCCC[C@H](c2ccc(N)nc2)C1 ZINC000616602972 411893286 /nfs/dbraw/zinc/89/32/86/411893286.db2.gz QWOBTQCVYOCMFN-NSHDSACASA-N 1 0 205.305 1.863 10 0 BDAERO C[C@H]1CCN1c1cc(N)[nH+]cc1Br ZINC000575587221 411923916 /nfs/dbraw/zinc/92/39/16/411923916.db2.gz HTUBVSVNYCLAPD-LURJTMIESA-N 1 0 242.120 2.025 10 0 BDAERO CCc1nnc(C[NH2+][C@@H](CC)C2CC2)n1C ZINC000661758386 411869251 /nfs/dbraw/zinc/86/92/51/411869251.db2.gz MJXBOEUAWALPDZ-JTQLQIEISA-N 1 0 222.336 1.656 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cc(N)n[nH]1 ZINC000616645462 411870875 /nfs/dbraw/zinc/87/08/75/411870875.db2.gz LIJVYPMEJGJFFL-SNVBAGLBSA-N 1 0 224.308 1.164 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2ccc(N)nc2)CC1 ZINC000616686208 411872252 /nfs/dbraw/zinc/87/22/52/411872252.db2.gz GTCLBTICFRVRPV-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@H](n2ccc(N)n2)C1 ZINC000616603251 411872954 /nfs/dbraw/zinc/87/29/54/411872954.db2.gz FAIRALUQXAZCLL-NSHDSACASA-N 1 0 222.336 1.901 10 0 BDAERO Nc1ccn([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000616611794 411966505 /nfs/dbraw/zinc/96/65/05/411966505.db2.gz QUJYMAVRETWZDA-CYBMUJFWSA-N 1 0 242.326 1.912 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)n1cncn1 ZINC000043243424 170867707 /nfs/dbraw/zinc/86/77/07/170867707.db2.gz RLVFSDNIAALURU-KOLCDFICSA-N 1 0 236.344 1.975 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(O)c(OC)c1 ZINC000036779413 170868160 /nfs/dbraw/zinc/86/81/60/170868160.db2.gz BNUATSTXRYYKBT-LDYMZIIASA-N 1 0 211.261 1.172 10 0 BDAERO CC[C@@H]([NH3+])c1cnn(C[C@@H]2CCCCO2)c1 ZINC000054717217 170870750 /nfs/dbraw/zinc/87/07/50/170870750.db2.gz ACYVOMLNWYDBPJ-NWDGAFQWSA-N 1 0 223.320 1.862 10 0 BDAERO Nc1cc([C@H]2CCCCCN2CC[NH3+])ccn1 ZINC000616624941 411977399 /nfs/dbraw/zinc/97/73/99/411977399.db2.gz SYSOMZQUZHFMJA-GFCCVEGCSA-N 1 0 234.347 1.540 10 0 BDAERO Cn1cc(C[NH2+]Cc2ccccc2)c(N)n1 ZINC000616575589 411948751 /nfs/dbraw/zinc/94/87/51/411948751.db2.gz BPKXEPFEFHEDET-UHFFFAOYSA-N 1 0 216.288 1.292 10 0 BDAERO CC[C@@H](O)C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000071882242 170934992 /nfs/dbraw/zinc/93/49/92/170934992.db2.gz XKEAZZUURSLRJE-HBNTYKKESA-N 1 0 211.309 1.193 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCO1 ZINC000054290868 171065421 /nfs/dbraw/zinc/06/54/21/171065421.db2.gz BBGSHZOBAKNJGN-VXGBXAGGSA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@@H]1C[N@H+](CCCF)CCN1CCOC ZINC000128331029 171078557 /nfs/dbraw/zinc/07/85/57/171078557.db2.gz IZFDOQHHOHLYBO-GFCCVEGCSA-N 1 0 232.343 1.389 10 0 BDAERO CC[C@@H]1CN(Cc2ccc(C[NH3+])o2)CCO1 ZINC000052477093 171089323 /nfs/dbraw/zinc/08/93/23/171089323.db2.gz KHYUSTSLKCDOCX-SNVBAGLBSA-N 1 0 224.304 1.349 10 0 BDAERO CC[C@@H]1C[N@H+]([C@@H](C)COC)[C@H](C(C)C)CN1 ZINC000083088042 171093633 /nfs/dbraw/zinc/09/36/33/171093633.db2.gz INKUZAUOEULCNF-XQQFMLRXSA-N 1 0 228.380 1.730 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@H]2CCCC[C@H]2O)CCCO1 ZINC000300869968 171096796 /nfs/dbraw/zinc/09/67/96/171096796.db2.gz JVFHTAMCKNWNGM-FRRDWIJNSA-N 1 0 227.348 1.791 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1Cc1ccccn1 ZINC000082476527 171101595 /nfs/dbraw/zinc/10/15/95/171101595.db2.gz SEMUCUUATXXMET-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO CC[C@@H]1CN[C@@H](C)C[N@@H+]1CCCOC ZINC000082934897 171102224 /nfs/dbraw/zinc/10/22/24/171102224.db2.gz OXSSBZNNBOGHGF-WDEREUQCSA-N 1 0 200.326 1.095 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@](C)([NH3+])C1CC1 ZINC000037614536 171107593 /nfs/dbraw/zinc/10/75/93/171107593.db2.gz YXIWCWRQBYTNPI-UFGOTCBOSA-N 1 0 240.347 1.140 10 0 BDAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1cccs1 ZINC000036323317 171107882 /nfs/dbraw/zinc/10/78/82/171107882.db2.gz XQPFAIAQUXSGCI-MNOVXSKESA-N 1 0 240.372 1.859 10 0 BDAERO CC[C@@](C)(NC[C@H](O)C(C)(C)C)C(=O)OC ZINC000309555455 171176019 /nfs/dbraw/zinc/17/60/19/171176019.db2.gz JOIORYWSPIJGDY-JOYOIKCWSA-N 1 0 231.336 1.325 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339817191 171177811 /nfs/dbraw/zinc/17/78/11/171177811.db2.gz GIHLPTOMIDWEEE-QWHCGFSZSA-N 1 0 229.364 1.894 10 0 BDAERO CC[C@@](CO)([NH2+]CCOC)c1ccc(C)cc1 ZINC000053292665 171192600 /nfs/dbraw/zinc/19/26/00/171192600.db2.gz CNRWBANOXKYPMS-AWEZNQCLSA-N 1 0 237.343 1.829 10 0 BDAERO CC[C@@](O)(C[NH3+])c1ccc(F)c(F)c1 ZINC000036157356 171194558 /nfs/dbraw/zinc/19/45/58/171194558.db2.gz DGAHQUOJLQHCRX-SNVBAGLBSA-N 1 0 201.216 1.521 10 0 BDAERO CC[C@@]1(C(=O)N[C@@H](C)[C@@H]2CCCO2)CC[NH2+]C1 ZINC000062890719 171196310 /nfs/dbraw/zinc/19/63/10/171196310.db2.gz CQFBTADJAWCTOS-GMXVVIOVSA-N 1 0 240.347 1.060 10 0 BDAERO CC(C)([NH3+])CCC(=O)NC[C@H](O)C(C)(C)C ZINC000324471804 487621952 /nfs/dbraw/zinc/62/19/52/487621952.db2.gz AXLHCWZVQZVZIV-VIFPVBQESA-N 1 0 230.352 1.027 10 0 BDAERO CC[C@@]1(c2nc(CCOC)no2)CCC[NH2+]C1 ZINC000062872233 171216207 /nfs/dbraw/zinc/21/62/07/171216207.db2.gz WWWMURYZNCLENB-GFCCVEGCSA-N 1 0 239.319 1.290 10 0 BDAERO CC[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000085895703 171253641 /nfs/dbraw/zinc/25/36/41/171253641.db2.gz JBALUFGTAJXLSF-GARJFASQSA-N 1 0 210.321 1.385 10 0 BDAERO CC[C@H](C)C(=O)Nc1ccc(C[NH3+])cn1 ZINC000051952555 171254236 /nfs/dbraw/zinc/25/42/36/171254236.db2.gz DWGAPLOALGDGQL-QMMMGPOBSA-N 1 0 207.277 1.525 10 0 BDAERO CC[C@H](C)C[C@](CC)(C[NH3+])N1CCOCC1 ZINC000019436361 171299121 /nfs/dbraw/zinc/29/91/21/171299121.db2.gz VAXREIKHUZZVCT-QWHCGFSZSA-N 1 0 228.380 1.862 10 0 BDAERO CC[C@H](C)N(C)c1c(C[NH3+])c(C)nn1C ZINC000037110657 171309518 /nfs/dbraw/zinc/30/95/18/171309518.db2.gz CGHFMSFTGIZUBZ-QMMMGPOBSA-N 1 0 210.325 1.422 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000042591006 171315420 /nfs/dbraw/zinc/31/54/20/171315420.db2.gz DCIKYVGIJPNUTH-WDEREUQCSA-N 1 0 244.379 1.633 10 0 BDAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])c1cccnc1 ZINC000076618161 171326982 /nfs/dbraw/zinc/32/69/82/171326982.db2.gz DPXXZNMUTXRNRA-CMPLNLGQSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])C(C)C ZINC000076582831 171327007 /nfs/dbraw/zinc/32/70/07/171327007.db2.gz FQOXKIHZBBHGEP-UWVGGRQHSA-N 1 0 200.326 1.522 10 0 BDAERO CC[C@H](C)NC(=O)Cc1csc(CC[NH3+])n1 ZINC000019672725 171327954 /nfs/dbraw/zinc/32/79/54/171327954.db2.gz YTPNWHOXEJWSGG-QMMMGPOBSA-N 1 0 241.360 1.102 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)OC[C@@H]1CCCC[NH2+]1 ZINC000051815753 171332252 /nfs/dbraw/zinc/33/22/52/171332252.db2.gz XOBYLSNJQYEKKT-TUAOUCFPSA-N 1 0 242.363 1.448 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCc1ccco1 ZINC000037980838 171332669 /nfs/dbraw/zinc/33/26/69/171332669.db2.gz JVLMEBXDRFKYDV-WDEREUQCSA-N 1 0 238.331 1.715 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000049557554 171334413 /nfs/dbraw/zinc/33/44/13/171334413.db2.gz JMZUGUZEFZFICO-SRVKXCTJSA-N 1 0 243.395 1.219 10 0 BDAERO CC[C@H](C)[NH2+]C1(C(N)=O)CCN(C(C)C)CC1 ZINC000038064915 171339632 /nfs/dbraw/zinc/33/96/32/171339632.db2.gz YYXLAWLHLDSVHT-NSHDSACASA-N 1 0 241.379 1.103 10 0 BDAERO CC[C@H](C)[NH2+][C@@]1(CO)CCCSC1 ZINC000061590870 171347127 /nfs/dbraw/zinc/34/71/27/171347127.db2.gz QHAOKFHLUKSZKX-VHSXEESVSA-N 1 0 203.351 1.633 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC=CCC1 ZINC000223316168 171371223 /nfs/dbraw/zinc/37/12/23/171371223.db2.gz ROJLNDQODFUPAN-QJPTWQEYSA-N 1 0 224.348 1.832 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CSc1nccn1C ZINC000087541236 171397007 /nfs/dbraw/zinc/39/70/07/171397007.db2.gz GBYVQOSADCROLU-DTWKUNHWSA-N 1 0 213.350 1.886 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1cccs1 ZINC000662339755 412107950 /nfs/dbraw/zinc/10/79/50/412107950.db2.gz OHUSLFKGEAECGH-RKDXNWHRSA-N 1 0 226.345 1.923 10 0 BDAERO C[C@@H]1C[N@H+](CC2(O)CCC2)C[C@@](C)(C(F)F)O1 ZINC000662358374 412123931 /nfs/dbraw/zinc/12/39/31/412123931.db2.gz OGEVBCZYMSQTJY-KOLCDFICSA-N 1 0 249.301 1.646 10 0 BDAERO CC[C@H]([NH3+])[C@H](c1cccc(F)c1)n1cncn1 ZINC000042973139 171489505 /nfs/dbraw/zinc/48/95/05/171489505.db2.gz QIGWMMLEJZMARX-RYUDHWBXSA-N 1 0 234.278 1.744 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](Nc2cc[nH]n2)C1 ZINC000616658969 412198438 /nfs/dbraw/zinc/19/84/38/412198438.db2.gz FXEPGWBFPPGWFM-SNVBAGLBSA-N 1 0 238.335 1.321 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC000662426223 412165284 /nfs/dbraw/zinc/16/52/84/412165284.db2.gz VGGWWAQAIOFBDO-RYUDHWBXSA-N 1 0 236.359 1.907 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CC1(F)F ZINC000662665698 412264560 /nfs/dbraw/zinc/26/45/60/412264560.db2.gz KDQJYNLHVQRQJT-VXNVDRBHSA-N 1 0 220.263 1.275 10 0 BDAERO C[C@@]1(CNC(=O)CC[C@H]2CCC[NH2+]2)CC1(F)F ZINC000662666104 412264923 /nfs/dbraw/zinc/26/49/23/412264923.db2.gz NSQXGMAIXTUWNT-KOLCDFICSA-N 1 0 246.301 1.680 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000662665660 412265082 /nfs/dbraw/zinc/26/50/82/412265082.db2.gz HQNPEQPRHAYDRC-DCAQKATOSA-N 1 0 228.336 1.188 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000662667172 412266097 /nfs/dbraw/zinc/26/60/97/412266097.db2.gz ZECHMBFYRQAUAW-MROQNXINSA-N 1 0 238.375 1.912 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](CCF)C1 ZINC000662687060 412271094 /nfs/dbraw/zinc/27/10/94/412271094.db2.gz DHTXTDFDJCNNGS-RYUDHWBXSA-N 1 0 244.354 1.958 10 0 BDAERO CCC1(CC)CCCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000662690716 412272468 /nfs/dbraw/zinc/27/24/68/412272468.db2.gz DWZAYPIDFKKXOF-NSHDSACASA-N 1 0 242.363 1.389 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC[C@H](C2CCC2)C1 ZINC000662711912 412280205 /nfs/dbraw/zinc/28/02/05/412280205.db2.gz CMSJJWOWSSZVGQ-OLZOCXBDSA-N 1 0 236.359 1.635 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC000662560263 412218527 /nfs/dbraw/zinc/21/85/27/412218527.db2.gz HWUQFTYYASQKTJ-MNOVXSKESA-N 1 0 224.348 1.681 10 0 BDAERO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662601455 412235419 /nfs/dbraw/zinc/23/54/19/412235419.db2.gz IHDRFIBQOSOENZ-ILWJIGKKSA-N 1 0 210.321 1.228 10 0 BDAERO COC[C@H]([NH3+])C(=O)NCC1C[C@@H](C)C[C@H](C)C1 ZINC000662630219 412250209 /nfs/dbraw/zinc/25/02/09/412250209.db2.gz YSPYSKNIECTZFA-NHCYSSNCSA-N 1 0 242.363 1.149 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1cscn1 ZINC000662637730 412252983 /nfs/dbraw/zinc/25/29/83/412252983.db2.gz XIKGNWDFZPDMIR-OYNCUSHFSA-N 1 0 241.360 1.694 10 0 BDAERO CO[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000662834018 412315187 /nfs/dbraw/zinc/31/51/87/412315187.db2.gz CHLCWYSYALBPEH-RYUDHWBXSA-N 1 0 242.363 1.387 10 0 BDAERO [NH3+]C1(CNC(=O)CC(F)(F)F)CCCC1 ZINC000662865420 412329318 /nfs/dbraw/zinc/32/93/18/412329318.db2.gz QPDGQPINRONPGV-UHFFFAOYSA-N 1 0 224.226 1.327 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)NC2CC3(CCC3)C2)C1 ZINC000662908254 412342166 /nfs/dbraw/zinc/34/21/66/412342166.db2.gz HQFCQNXRJPWWIF-QWRGUYRKSA-N 1 0 236.359 1.953 10 0 BDAERO CCCOc1nccnc1NC[C@@H](C)[NH3+] ZINC000630514394 412356935 /nfs/dbraw/zinc/35/69/35/412356935.db2.gz YGZRXAZDOMLCGM-MRVPVSSYSA-N 1 0 210.281 1.025 10 0 BDAERO Cc1cn(C)nc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000662970909 412360775 /nfs/dbraw/zinc/36/07/75/412360775.db2.gz TVLYTVNTAXTPTL-JTQLQIEISA-N 1 0 236.319 1.057 10 0 BDAERO CN(C(=O)CC1CC1)[C@H](C[NH3+])C(F)(F)F ZINC000662978939 412361751 /nfs/dbraw/zinc/36/17/51/412361751.db2.gz JTQDNDLMYLJGTK-SSDOTTSWSA-N 1 0 224.226 1.135 10 0 BDAERO CN(C(=O)C1CCCC1)[C@H](C[NH3+])C(F)(F)F ZINC000662978220 412361939 /nfs/dbraw/zinc/36/19/39/412361939.db2.gz ZNATXRMHHBOVRT-MRVPVSSYSA-N 1 0 238.253 1.525 10 0 BDAERO C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)C1CC1 ZINC000662985420 412362757 /nfs/dbraw/zinc/36/27/57/412362757.db2.gz XOWDSBDWTICXCJ-SVRRBLITSA-N 1 0 238.253 1.381 10 0 BDAERO CN(C(=O)[C@@H]1CC12CC2)[C@@H](C[NH3+])C(F)(F)F ZINC000662985858 412362954 /nfs/dbraw/zinc/36/29/54/412362954.db2.gz CIVINFKIBKOTFJ-BQBZGAKWSA-N 1 0 236.237 1.135 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](Nc2cc[nH]n2)C1 ZINC000616651823 412296819 /nfs/dbraw/zinc/29/68/19/412296819.db2.gz AKNVDVDXPQWUIJ-LLVKDONJSA-N 1 0 224.308 1.278 10 0 BDAERO CCCc1nccnc1NCCOCC[NH2+]C ZINC000630527156 412369672 /nfs/dbraw/zinc/36/96/72/412369672.db2.gz JDGXRBUIOUBXHN-UHFFFAOYSA-N 1 0 238.335 1.077 10 0 BDAERO CCCC(CCC)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000132968996 412378387 /nfs/dbraw/zinc/37/83/87/412378387.db2.gz OSMRMPJWBZOMDF-LLVKDONJSA-N 1 0 226.364 1.929 10 0 BDAERO CCc1cc(OC[C@@H]2CC[NH2+]C2)ncn1 ZINC000051888794 171772841 /nfs/dbraw/zinc/77/28/41/171772841.db2.gz JVRYFCQTZOHPCX-SECBINFHSA-N 1 0 207.277 1.027 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000663270220 412403866 /nfs/dbraw/zinc/40/38/66/412403866.db2.gz IJHQUEAJJUIIKL-WDEREUQCSA-N 1 0 234.347 1.603 10 0 BDAERO CCCc1nccnc1N1CCC[C@@H](CC[NH3+])C1 ZINC000663272671 412404337 /nfs/dbraw/zinc/40/43/37/412404337.db2.gz QUXKJEOSFMZSBS-LBPRGKRZSA-N 1 0 248.374 1.994 10 0 BDAERO CCCc1nccnc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000663272687 412404482 /nfs/dbraw/zinc/40/44/82/412404482.db2.gz REAZJWMFKKMYOQ-SDDRHHMPSA-N 1 0 246.358 1.603 10 0 BDAERO CCCc1nccnc1N[C@H]1CCC[NH2+][C@@H]1C ZINC000663271642 412404595 /nfs/dbraw/zinc/40/45/95/412404595.db2.gz DIIWWUSNJDVRLY-MNOVXSKESA-N 1 0 234.347 1.982 10 0 BDAERO CCOc1nccnc1NCC[C@@H]([NH3+])C(C)C ZINC000663276102 412405538 /nfs/dbraw/zinc/40/55/38/412405538.db2.gz KZUFLCBVYWGHPF-SNVBAGLBSA-N 1 0 238.335 1.661 10 0 BDAERO Cc1cc(NCC[C@@H]([NH3+])C(C)C)ncn1 ZINC000663275918 412405713 /nfs/dbraw/zinc/40/57/13/412405713.db2.gz GVQOBTNHWPBZSY-SNVBAGLBSA-N 1 0 208.309 1.570 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nnc(C(F)F)s1 ZINC000663277454 412406566 /nfs/dbraw/zinc/40/65/66/412406566.db2.gz PHWHOANVZNIQJL-SCSAIBSYSA-N 1 0 222.264 1.496 10 0 BDAERO CCc1cc(CC)nc(N[C@H](C)C[NH2+]C)n1 ZINC000663277728 412406812 /nfs/dbraw/zinc/40/68/12/412406812.db2.gz WZNUZXZECNRNLI-SECBINFHSA-N 1 0 222.336 1.621 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nc(C(C)C)ns1 ZINC000663279330 412408382 /nfs/dbraw/zinc/40/83/82/412408382.db2.gz QFIIEQQIOYLYFL-ZETCQYMHSA-N 1 0 214.338 1.681 10 0 BDAERO CCc1ccc(CNC(=O)CC[NH2+]C)cc1 ZINC000077331329 171804114 /nfs/dbraw/zinc/80/41/14/171804114.db2.gz MBBNGUATLUJEPG-UHFFFAOYSA-N 1 0 220.316 1.475 10 0 BDAERO CCc1cccc(OC[C@](C)(C[NH3+])N(C)C)c1 ZINC000019667457 171866405 /nfs/dbraw/zinc/86/64/05/171866405.db2.gz DULUODWNZYXFGM-AWEZNQCLSA-N 1 0 236.359 1.907 10 0 BDAERO CCc1cccc(O[C@@H]2COCC[C@H]2[NH3+])c1 ZINC000036306003 171866975 /nfs/dbraw/zinc/86/69/75/171866975.db2.gz ZEIWVYHCEXCHSZ-CHWSQXEVSA-N 1 0 221.300 1.744 10 0 BDAERO CCc1nc(CC[NH2+][C@@H](CC)COC)no1 ZINC000129290356 171970692 /nfs/dbraw/zinc/97/06/92/171970692.db2.gz PWPHJSHZBUEUGO-VIFPVBQESA-N 1 0 227.308 1.189 10 0 BDAERO CCc1nnc([C@]2([NH3+])CCC[C@@H](C)C2)[nH]1 ZINC000041036530 172009213 /nfs/dbraw/zinc/00/92/13/172009213.db2.gz JWFRFAMUQYOBPG-KCJUWKMLSA-N 1 0 208.309 1.731 10 0 BDAERO CCc1nccn1CC[C@H]1CCCC[NH2+]1 ZINC000042420122 172025222 /nfs/dbraw/zinc/02/52/22/172025222.db2.gz DCJGYYRUGSZCIR-LLVKDONJSA-N 1 0 207.321 1.978 10 0 BDAERO CCc1nnc(C[NH2+][C@@H]2CCC[C@H]2C)n1C ZINC000309953716 172054373 /nfs/dbraw/zinc/05/43/73/172054373.db2.gz HIJFADQNYURYKG-NXEZZACHSA-N 1 0 222.336 1.656 10 0 BDAERO CCc1nnc(N[C@H]2CCC[NH2+][C@@H]2C)nc1CC ZINC000097838133 172062919 /nfs/dbraw/zinc/06/29/19/172062919.db2.gz AGTXLMKLANNXHF-SKDRFNHKSA-N 1 0 249.362 1.549 10 0 BDAERO CCc1nnc2sc([C@H]([NH3+])C(C)C)nn12 ZINC000032015074 172068884 /nfs/dbraw/zinc/06/88/84/172068884.db2.gz NAQNGACRIPECGD-SSDOTTSWSA-N 1 0 225.321 1.404 10 0 BDAERO CCc1noc(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000019233303 172085290 /nfs/dbraw/zinc/08/52/90/172085290.db2.gz BTLGALMIUWASBS-SNVBAGLBSA-N 1 0 217.272 1.875 10 0 BDAERO CCc1oc2ccccc2c1[C@H](O)C[NH3+] ZINC000039100993 172112004 /nfs/dbraw/zinc/11/20/04/172112004.db2.gz ZNRWMKWDDCZZCV-SECBINFHSA-N 1 0 205.257 1.987 10 0 BDAERO CCn1c(C)nnc1C[C@H]1CCC[NH2+]C1 ZINC000054302147 172141027 /nfs/dbraw/zinc/14/10/27/172141027.db2.gz JAAAMHNWCAYLIV-SNVBAGLBSA-N 1 0 208.309 1.149 10 0 BDAERO CCn1c(C)nnc1[C@@]1([NH3+])CCC[C@@H](C)C1 ZINC000042029715 172141578 /nfs/dbraw/zinc/14/15/78/172141578.db2.gz ILYJHTOJEWXMDT-BXKDBHETSA-N 1 0 222.336 1.971 10 0 BDAERO CCn1c2ccc(F)cc2nc1CC[NH3+] ZINC000037439381 172143936 /nfs/dbraw/zinc/14/39/36/172143936.db2.gz SFCSQHFPLKBERT-UHFFFAOYSA-N 1 0 207.252 1.697 10 0 BDAERO CCn1c(C[NH3+])nc2cc(OC)ccc21 ZINC000074297593 172144372 /nfs/dbraw/zinc/14/43/72/172144372.db2.gz OHYRRTYCDCSEMQ-UHFFFAOYSA-N 1 0 205.261 1.524 10 0 BDAERO CCN1C(=S)N=NC1c1ccc(C[NH3+])cc1 ZINC000058824326 172147232 /nfs/dbraw/zinc/14/72/32/172147232.db2.gz LHUDRCKZEDRGEP-UHFFFAOYSA-N 1 0 234.328 1.712 10 0 BDAERO CCn1cc(-c2csc(C[NH3+])n2)cn1 ZINC000044495424 172148698 /nfs/dbraw/zinc/14/86/98/172148698.db2.gz YPEVVHLHSOZTPY-UHFFFAOYSA-N 1 0 208.290 1.485 10 0 BDAERO CCn1cc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cn1 ZINC000295051350 172164545 /nfs/dbraw/zinc/16/45/45/172164545.db2.gz PPBBAUYNTHYPKG-ZYHUDNBSSA-N 1 0 223.320 1.248 10 0 BDAERO CCn1cc(N2CC[C@@H]([NH2+]C)C[C@@H]2C)cn1 ZINC000049711249 172178408 /nfs/dbraw/zinc/17/84/08/172178408.db2.gz HFLCITRXZFFBKO-WDEREUQCSA-N 1 0 222.336 1.480 10 0 BDAERO CCn1cccc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038048516 172202784 /nfs/dbraw/zinc/20/27/84/172202784.db2.gz JTMDJUIQBMKSLQ-WDEREUQCSA-N 1 0 235.331 1.508 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@H](C)N(C)C ZINC000085609040 172207643 /nfs/dbraw/zinc/20/76/43/172207643.db2.gz GFSHPWDVFXVDIA-LLVKDONJSA-N 1 0 209.337 1.548 10 0 BDAERO CCn1cccc1C[NH2+][C@@H]1CCCCNC1=O ZINC000091023939 172209858 /nfs/dbraw/zinc/20/98/58/172209858.db2.gz PLVXUTGHKRLBDJ-GFCCVEGCSA-N 1 0 235.331 1.266 10 0 BDAERO CCn1ccnc(Oc2cccc(C[NH3+])c2)c1=O ZINC000061770580 172213674 /nfs/dbraw/zinc/21/36/74/172213674.db2.gz MKGZNQSFSZVIOM-UHFFFAOYSA-N 1 0 245.282 1.514 10 0 BDAERO CCn1ncc(CN2CCC[C@@H](C[NH3+])C2)c1C ZINC000020315768 172254977 /nfs/dbraw/zinc/25/49/77/172254977.db2.gz GLJONQFMFZLLRZ-LBPRGKRZSA-N 1 0 236.363 1.382 10 0 BDAERO CN(C(=O)C1(C[NH3+])CC1)c1ccccc1 ZINC000082639579 172296729 /nfs/dbraw/zinc/29/67/29/172296729.db2.gz MZBXSUVKNDYMPG-UHFFFAOYSA-N 1 0 204.273 1.388 10 0 BDAERO CN(C(=O)[C@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000106460608 172331279 /nfs/dbraw/zinc/33/12/79/172331279.db2.gz CLYUMSBOVQAUJU-AWEZNQCLSA-N 1 0 246.354 1.780 10 0 BDAERO CN(C(=O)[C@H]1CC[NH2+]C1)c1ccccc1F ZINC000062116727 172333291 /nfs/dbraw/zinc/33/32/91/172333291.db2.gz BKTJQCCBHMAURW-VIFPVBQESA-N 1 0 222.263 1.398 10 0 BDAERO CN(C(=O)c1ccc2ccccc2n1)C1C[NH2+]C1 ZINC000090289743 172340802 /nfs/dbraw/zinc/34/08/02/172340802.db2.gz DSYFRDZGCSQVCN-UHFFFAOYSA-N 1 0 241.294 1.279 10 0 BDAERO CN(C)C(=O)CCN(C)c1cccc(C[NH3+])c1 ZINC000061951725 172358590 /nfs/dbraw/zinc/35/85/90/172358590.db2.gz XMJRUOSLUCUMQE-UHFFFAOYSA-N 1 0 235.331 1.060 10 0 BDAERO CN(C)C(=O)CCOc1ccc(CC[NH3+])cc1 ZINC000037897524 172361773 /nfs/dbraw/zinc/36/17/73/172361773.db2.gz WTZFINJLOGRWBO-UHFFFAOYSA-N 1 0 236.315 1.045 10 0 BDAERO CC(C)[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C1CC1 ZINC000324516192 487624920 /nfs/dbraw/zinc/62/49/20/487624920.db2.gz JMRPNNPZRVRTQK-WCQYABFASA-N 1 0 226.364 1.911 10 0 BDAERO C[NH+](C)CCn1cc(CO)c2ccccc21 ZINC000077009431 172480666 /nfs/dbraw/zinc/48/06/66/172480666.db2.gz VEDQKDNZWIKUMI-UHFFFAOYSA-N 1 0 218.300 1.695 10 0 BDAERO CN(CCC(N)=[NH2+])c1ncccc1Cl ZINC000019834369 172667328 /nfs/dbraw/zinc/66/73/28/172667328.db2.gz WZCHLBYZKUSOGE-UHFFFAOYSA-N 1 0 212.684 1.497 10 0 BDAERO CN(Cc1cncs1)[C@H]1CCC[NH2+]C1 ZINC000095070730 172916800 /nfs/dbraw/zinc/91/68/00/172916800.db2.gz HUCOHKSNGPWZAC-VIFPVBQESA-N 1 0 211.334 1.327 10 0 BDAERO CN(Cc1cscn1)C[C@@H]1CCCC[NH2+]1 ZINC000042869424 172921496 /nfs/dbraw/zinc/92/14/96/172921496.db2.gz VEYBORCBTYMXGA-JTQLQIEISA-N 1 0 225.361 1.717 10 0 BDAERO CN(c1nc2ccccc2[nH]1)C1CC([NH3+])C1 ZINC000335659838 172953398 /nfs/dbraw/zinc/95/33/98/172953398.db2.gz KRRMVIQJCIXVDA-UHFFFAOYSA-N 1 0 216.288 1.489 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]C1(CO)CCCCC1 ZINC000054243963 173004045 /nfs/dbraw/zinc/00/40/45/173004045.db2.gz LMLTXICGTQYCDZ-CYBMUJFWSA-N 1 0 240.391 1.756 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000075906921 173008067 /nfs/dbraw/zinc/00/80/67/173008067.db2.gz PMEPFOOQLPCDGP-GFCCVEGCSA-N 1 0 218.300 1.942 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]C[C@@H]1CCCCN1C ZINC000054243715 173010114 /nfs/dbraw/zinc/01/01/14/173010114.db2.gz LFKNCXJYNFKBHR-KBPBESRZSA-N 1 0 239.407 1.545 10 0 BDAERO C[N@@H+]1CCC[C@H]1COC(=O)c1cccc(N)c1 ZINC000096269685 173057373 /nfs/dbraw/zinc/05/73/73/173057373.db2.gz LPUSMQXNPXCRTA-LBPRGKRZSA-N 1 0 234.299 1.520 10 0 BDAERO C[NH+]1CCN(CCNc2ccccc2F)CC1 ZINC000041278850 173083527 /nfs/dbraw/zinc/08/35/27/173083527.db2.gz JNGASEVPEKTVNH-UHFFFAOYSA-N 1 0 237.322 1.485 10 0 BDAERO CN1CC[NH+](C[C@H]2CNc3ccccc32)CC1 ZINC000083074424 173084787 /nfs/dbraw/zinc/08/47/87/173084787.db2.gz WXOBYPPZWBRKLB-GFCCVEGCSA-N 1 0 231.343 1.443 10 0 BDAERO CN1CCN(Cc2ccccc2)C[C@@H]1C(C)(C)[NH3+] ZINC000096963457 173087206 /nfs/dbraw/zinc/08/72/06/173087206.db2.gz WGKGNSCDCHDDGD-CQSZACIVSA-N 1 0 247.386 1.540 10 0 BDAERO CN1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000019282957 173095015 /nfs/dbraw/zinc/09/50/15/173095015.db2.gz ISSNWVYZSNEIAU-CYBMUJFWSA-N 1 0 237.322 1.073 10 0 BDAERO C[N@@H+]1CC[C@@H](NC(=O)CCc2cccc(N)c2)C1 ZINC000042550069 173121568 /nfs/dbraw/zinc/12/15/68/173121568.db2.gz RBBJLNPEXUZUGI-CYBMUJFWSA-N 1 0 247.342 1.022 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccs1 ZINC000112826879 173143258 /nfs/dbraw/zinc/14/32/58/173143258.db2.gz OXPWXWDUMIZGIQ-JTQLQIEISA-N 1 0 238.356 1.772 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cscn1 ZINC000070823014 173144253 /nfs/dbraw/zinc/14/42/53/173144253.db2.gz CRVKNRVGHGOPSI-VIFPVBQESA-N 1 0 239.344 1.167 10 0 BDAERO C[N@@H+]1CC[C@](CO)(Nc2ccccc2F)C1 ZINC000061992175 173162542 /nfs/dbraw/zinc/16/25/42/173162542.db2.gz MXNMSOFWDRUBNM-LBPRGKRZSA-N 1 0 224.279 1.304 10 0 BDAERO C[N@@H+]1CC[C@](CO)(Nc2ccccc2Cl)C1 ZINC000061992105 173162994 /nfs/dbraw/zinc/16/29/94/173162994.db2.gz HIWRVKBPIBCZHH-LBPRGKRZSA-N 1 0 240.734 1.819 10 0 BDAERO C[N@@H+]1CCc2cc(Br)[nH]c2C1 ZINC000082370622 173169365 /nfs/dbraw/zinc/16/93/65/173169365.db2.gz VVNMANYIDCKDAH-UHFFFAOYSA-N 1 0 215.094 1.765 10 0 BDAERO CN1C[C@@H](C[NH3+])c2cc(Br)ccc21 ZINC000071484069 173182866 /nfs/dbraw/zinc/18/28/66/173182866.db2.gz MPKWXXYKPYVJQU-SSDOTTSWSA-N 1 0 241.132 1.941 10 0 BDAERO C[N@@H+]1C[C@]2(C)C[C@H]1Cc1ccc(O)cc12 ZINC000006032341 173199520 /nfs/dbraw/zinc/19/95/20/173199520.db2.gz FVVVZSVINPVAIU-MFKMUULPSA-N 1 0 203.285 1.910 10 0 BDAERO CNC(=[NH2+])N[C@H](C)CCc1ccccc1 ZINC000052036025 173211308 /nfs/dbraw/zinc/21/13/08/173211308.db2.gz ACGZCJSJXPAMFQ-SNVBAGLBSA-N 1 0 205.305 1.751 10 0 BDAERO CNC(=O)CC[NH2+][C@@H]1CCCc2sccc21 ZINC000061329186 173260408 /nfs/dbraw/zinc/26/04/08/173260408.db2.gz PTCDRNCNXQHVRA-SNVBAGLBSA-N 1 0 238.356 1.851 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000037224799 173277748 /nfs/dbraw/zinc/27/77/48/173277748.db2.gz TUICRKNBQFIOSS-NSHDSACASA-N 1 0 220.316 1.700 10 0 BDAERO CNC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000035286418 173278262 /nfs/dbraw/zinc/27/82/62/173278262.db2.gz NMTLSCMOGACQRK-ZCFIWIBFSA-N 1 0 232.736 1.798 10 0 BDAERO CNC(=O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000037117155 173278270 /nfs/dbraw/zinc/27/82/70/173278270.db2.gz LEAGOFCASVQRGI-GFCCVEGCSA-N 1 0 218.300 1.400 10 0 BDAERO CNC(=O)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000037254035 173278609 /nfs/dbraw/zinc/27/86/09/173278609.db2.gz LOKRHRZPGUUCHE-SNVBAGLBSA-N 1 0 206.289 1.392 10 0 BDAERO CNC(=O)COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019275936 173279155 /nfs/dbraw/zinc/27/91/55/173279155.db2.gz DISKLEQSFPDRBF-UHFFFAOYSA-N 1 0 246.310 1.188 10 0 BDAERO CNC(=O)C[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000309964579 173280245 /nfs/dbraw/zinc/28/02/45/173280245.db2.gz MUZQLAVHZBZVMZ-MOENNCHZSA-N 1 0 226.364 1.927 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000042213230 173295020 /nfs/dbraw/zinc/29/50/20/173295020.db2.gz DKWUFQPWIFWNAP-WDEREUQCSA-N 1 0 220.316 1.514 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]CCOc1cccc(C)c1 ZINC000049538310 173302646 /nfs/dbraw/zinc/30/26/46/173302646.db2.gz MDIBECITLYUVTL-NSHDSACASA-N 1 0 236.315 1.098 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]Cc1ccccc1COC ZINC000037763081 173303035 /nfs/dbraw/zinc/30/30/35/173303035.db2.gz YWTOAUOVZHMQRQ-JTQLQIEISA-N 1 0 236.315 1.057 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@@H](COC)c1ccccc1 ZINC000234350075 173303495 /nfs/dbraw/zinc/30/34/95/173303495.db2.gz FNMFCHLPJJXUBA-JQWIXIFHSA-N 1 0 236.315 1.098 10 0 BDAERO CNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745736 173304412 /nfs/dbraw/zinc/30/44/12/173304412.db2.gz SMATWBMOJQXOAO-YUMQZZPRSA-N 1 0 240.278 1.359 10 0 BDAERO CNC(=O)c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038040985 173310837 /nfs/dbraw/zinc/31/08/37/173310837.db2.gz HUEYPBIJJYKHPH-UHFFFAOYSA-N 1 0 233.315 1.210 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)CC(C)(C)C ZINC000061319074 173317766 /nfs/dbraw/zinc/31/77/66/173317766.db2.gz UDRWFEONTGBCPO-UHFFFAOYSA-N 1 0 200.326 1.489 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)c1ccc(OC)cc1 ZINC000061319126 173317802 /nfs/dbraw/zinc/31/78/02/173317802.db2.gz CWAUNEHTAVGTEX-UHFFFAOYSA-N 1 0 236.315 1.656 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000061317405 173318216 /nfs/dbraw/zinc/31/82/16/173318216.db2.gz PFALWUNLMSQLDA-MNOVXSKESA-N 1 0 240.347 1.154 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C(N)=O)cc1C ZINC000061300891 173318631 /nfs/dbraw/zinc/31/86/31/173318631.db2.gz VQPZWXWAWUDMMW-UHFFFAOYSA-N 1 0 249.314 1.030 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000061300221 173318649 /nfs/dbraw/zinc/31/86/49/173318649.db2.gz JQGXYMVQRVAAME-AOOOYVTPSA-N 1 0 212.337 1.489 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(C)s1 ZINC000061319155 173318725 /nfs/dbraw/zinc/31/87/25/173318725.db2.gz ROPWNUUYSGPAQQ-UHFFFAOYSA-N 1 0 226.345 1.671 10 0 BDAERO C[NH2+]C(C)(C)CN1CCO[C@@H]2CCC[C@@H]21 ZINC000061319773 173319091 /nfs/dbraw/zinc/31/90/91/173319091.db2.gz GOJWQONQSHFFLR-WDEREUQCSA-N 1 0 212.337 1.238 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(OC)c1 ZINC000061300235 173319546 /nfs/dbraw/zinc/31/95/46/173319546.db2.gz LLYPWDMXSOHHIT-UHFFFAOYSA-N 1 0 222.288 1.632 10 0 BDAERO C[NH2+]C1Cc2c(c(OC)ccc2OC)C1 ZINC000027979345 173323989 /nfs/dbraw/zinc/32/39/89/173323989.db2.gz SILRPYONGVNTMW-UHFFFAOYSA-N 1 0 207.273 1.390 10 0 BDAERO C[NH2+]CC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000193131645 173327677 /nfs/dbraw/zinc/32/76/77/173327677.db2.gz PLOQJELBYCXOML-WDEREUQCSA-N 1 0 236.315 1.799 10 0 BDAERO C[NH2+]CC(=O)NCC1(Cc2ccccc2)CC1 ZINC000193135519 173328399 /nfs/dbraw/zinc/32/83/99/173328399.db2.gz UIPFHTXYJHSMLN-UHFFFAOYSA-N 1 0 232.327 1.345 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(OC)ccc1Cl ZINC000043318565 173333702 /nfs/dbraw/zinc/33/37/02/173333702.db2.gz IIGQTGFHUISXLT-UHFFFAOYSA-N 1 0 228.679 1.507 10 0 BDAERO C[NH2+]CC(=O)Nc1ccccc1-n1cccn1 ZINC000037026677 173334556 /nfs/dbraw/zinc/33/45/56/173334556.db2.gz ZDRAQFWOGCPUKR-UHFFFAOYSA-N 1 0 230.271 1.030 10 0 BDAERO C[NH2+]CC1(CN2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000051209566 173337548 /nfs/dbraw/zinc/33/75/48/173337548.db2.gz ZOFDUYIRHWUBFN-STQMWFEESA-N 1 0 240.391 1.875 10 0 BDAERO C[NH2+]CC1(C[C@H]2CCCO2)CCOCC1 ZINC000061673998 173337877 /nfs/dbraw/zinc/33/78/77/173337877.db2.gz OVXGTXNAYQHYCX-LLVKDONJSA-N 1 0 213.321 1.572 10 0 BDAERO C[NH2+]CC1(CN2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000051209569 173338166 /nfs/dbraw/zinc/33/81/66/173338166.db2.gz ZOFDUYIRHWUBFN-CHWSQXEVSA-N 1 0 240.391 1.875 10 0 BDAERO C[NH2+]CCC(=O)NCc1cc(C)ccc1OC ZINC000077372834 173340993 /nfs/dbraw/zinc/34/09/93/173340993.db2.gz PULCGOAMKZZPLU-UHFFFAOYSA-N 1 0 236.315 1.229 10 0 BDAERO C[NH2+]CCC(=O)c1cc(OC)c(C)cc1OC ZINC000071547840 173341832 /nfs/dbraw/zinc/34/18/32/173341832.db2.gz ZMIIMUZAPCAQOW-UHFFFAOYSA-N 1 0 237.299 1.804 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc(F)c(C)c1 ZINC000077338384 173342158 /nfs/dbraw/zinc/34/21/58/173342158.db2.gz CTEGFLKBJGGKQA-UHFFFAOYSA-N 1 0 225.263 1.787 10 0 BDAERO C[NH2+]CCCNC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000121401577 173348731 /nfs/dbraw/zinc/34/87/31/173348731.db2.gz QYGJUKDZAKAZCP-MFKMUULPSA-N 1 0 248.326 1.277 10 0 BDAERO C[NH2+]CCCOCc1ccc2[nH]c(=O)oc2c1 ZINC000077372328 173349825 /nfs/dbraw/zinc/34/98/25/173349825.db2.gz CFNRCIPOAMMYSG-UHFFFAOYSA-N 1 0 236.271 1.247 10 0 BDAERO C[NH2+]CCCOCc1ccc2c(c1)CCC(=O)N2 ZINC000077423664 173350054 /nfs/dbraw/zinc/35/00/54/173350054.db2.gz MYYLKINXVGBNMW-UHFFFAOYSA-N 1 0 248.326 1.697 10 0 BDAERO C[NH2+]CCCc1nc(CC(F)(F)F)no1 ZINC000042413036 173350516 /nfs/dbraw/zinc/35/05/16/173350516.db2.gz YZURHZFSWVEWGS-UHFFFAOYSA-N 1 0 223.198 1.326 10 0 BDAERO C[NH2+]CCCn1c(=O)cnc2ccccc21 ZINC000042410110 173351079 /nfs/dbraw/zinc/35/10/79/173351079.db2.gz KPQQQWIGVWQSOH-UHFFFAOYSA-N 1 0 217.272 1.006 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc2ncoc2c1 ZINC000077366675 173352489 /nfs/dbraw/zinc/35/24/89/173352489.db2.gz BTOBVYCWMZQFHN-UHFFFAOYSA-N 1 0 233.315 1.522 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc(C)c(C)c1 ZINC000077331442 173352670 /nfs/dbraw/zinc/35/26/70/173352670.db2.gz MUJVFEBTVJGEES-UHFFFAOYSA-N 1 0 220.360 1.997 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc2c(c1)CCC2 ZINC000077364862 173353121 /nfs/dbraw/zinc/35/31/21/173353121.db2.gz YLNDGMXJHRXRIV-UHFFFAOYSA-N 1 0 232.371 1.869 10 0 BDAERO C[NH2+]CCOc1ccc2c(c1)OCCO2 ZINC000031622897 173357392 /nfs/dbraw/zinc/35/73/92/173357392.db2.gz NIKJMCXDPSUWLR-UHFFFAOYSA-N 1 0 209.245 1.056 10 0 BDAERO C[NH2+]CCOc1ccnc2ccccc21 ZINC000051866949 173357861 /nfs/dbraw/zinc/35/78/61/173357861.db2.gz PNDMXERVAFLPTE-UHFFFAOYSA-N 1 0 202.257 1.833 10 0 BDAERO C[NH2+]CCc1coc(Br)c1 ZINC000083284617 173360553 /nfs/dbraw/zinc/36/05/53/173360553.db2.gz QLWNDBLPGLZQPR-UHFFFAOYSA-N 1 0 204.067 1.804 10 0 BDAERO C[NH2+]CCn1ccc(=O)c2ccccc21 ZINC000043373689 173361614 /nfs/dbraw/zinc/36/16/14/173361614.db2.gz LNRWVFWHTVZHMO-UHFFFAOYSA-N 1 0 202.257 1.221 10 0 BDAERO C[NH2+]CCc1nnc(-c2ccccc2)s1 ZINC000082537344 173361669 /nfs/dbraw/zinc/36/16/69/173361669.db2.gz QBNJGAXISGVBJU-UHFFFAOYSA-N 1 0 219.313 1.967 10 0 BDAERO C[NH2+]CCc1noc(-c2cccc(OC)c2)n1 ZINC000049455650 173361800 /nfs/dbraw/zinc/36/18/00/173361800.db2.gz VULNMIKVLOFLON-UHFFFAOYSA-N 1 0 233.271 1.507 10 0 BDAERO C[NH2+]C[C@@H](C)COc1ccc(OC)cc1 ZINC000041218751 173364198 /nfs/dbraw/zinc/36/41/98/173364198.db2.gz FRWNXECKNKMMQF-SNVBAGLBSA-N 1 0 209.289 1.930 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1cc(F)cc(F)c1 ZINC000054934667 173365192 /nfs/dbraw/zinc/36/51/92/173365192.db2.gz WFNWLKYKFYMUTE-SSDOTTSWSA-N 1 0 201.216 1.952 10 0 BDAERO C[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000020296890 173365583 /nfs/dbraw/zinc/36/55/83/173365583.db2.gz GLAXQICOAZQYRS-GFCCVEGCSA-N 1 0 221.300 1.134 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(Br)cc1F ZINC000055027438 173366280 /nfs/dbraw/zinc/36/62/80/173366280.db2.gz IFWKDZOPVQEMBF-SECBINFHSA-N 1 0 248.095 1.841 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(c2nc(C)cs2)C1 ZINC000040602164 173368382 /nfs/dbraw/zinc/36/83/82/173368382.db2.gz HIXMUAALBYNJIH-JTQLQIEISA-N 1 0 225.361 1.887 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2ccc(C)cc2C)C(=O)O1 ZINC000077369119 173371627 /nfs/dbraw/zinc/37/16/27/173371627.db2.gz QKRUAXGQLAVLRP-LLVKDONJSA-N 1 0 234.299 1.848 10 0 BDAERO C[NH2+]C[C@@H]1CC[C@@H](Cn2nc(C)cc2C)O1 ZINC000052575910 173372088 /nfs/dbraw/zinc/37/20/88/173372088.db2.gz ZOYDLYINZWJCTM-RYUDHWBXSA-N 1 0 223.320 1.267 10 0 BDAERO C[NH2+]C[C@H](C(C)C)N1CCOC(C)(C)C1 ZINC000052481704 173373530 /nfs/dbraw/zinc/37/35/30/173373530.db2.gz NGUKVVXSUOFERJ-LLVKDONJSA-N 1 0 214.353 1.341 10 0 BDAERO C[NH2+]C[C@H](C)CN1CCc2ccccc21 ZINC000052420236 173375593 /nfs/dbraw/zinc/37/55/93/173375593.db2.gz GMAMWLCFJJCJOL-NSHDSACASA-N 1 0 204.317 1.905 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ncccc1Cl ZINC000051867251 173376308 /nfs/dbraw/zinc/37/63/08/173376308.db2.gz CLJDOCUGGWDPPU-ZETCQYMHSA-N 1 0 200.669 1.722 10 0 BDAERO C[NH2+]C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000020296892 173376700 /nfs/dbraw/zinc/37/67/00/173376700.db2.gz GLAXQICOAZQYRS-LBPRGKRZSA-N 1 0 221.300 1.134 10 0 BDAERO C[NH2+]C[C@H](O)CSc1nc2ccccc2[nH]1 ZINC000019865189 173376827 /nfs/dbraw/zinc/37/68/27/173376827.db2.gz WOJKMBMYIUYCJL-QMMMGPOBSA-N 1 0 237.328 1.235 10 0 BDAERO C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000019864640 173376958 /nfs/dbraw/zinc/37/69/58/173376958.db2.gz DMDAYLFHCBKCJD-QMMMGPOBSA-N 1 0 215.680 1.299 10 0 BDAERO C[NH2+]C[C@H](O)c1nc2ccccc2s1 ZINC000082945482 173377559 /nfs/dbraw/zinc/37/75/59/173377559.db2.gz IACQCQNSTWKRFJ-QMMMGPOBSA-N 1 0 208.286 1.549 10 0 BDAERO C[NH2+]C[C@H](c1ccccc1)N1CCSCC1 ZINC000052443316 173377727 /nfs/dbraw/zinc/37/77/27/173377727.db2.gz KCQBHQBAJVEHOI-CYBMUJFWSA-N 1 0 236.384 1.996 10 0 BDAERO C[NH2+]C[C@H](OC)c1ccc(OC)c(F)c1 ZINC000062711481 173377738 /nfs/dbraw/zinc/37/77/38/173377738.db2.gz MKLXXEOEDDGZPU-NSHDSACASA-N 1 0 213.252 1.741 10 0 BDAERO C[NH2+]C[C@H]1CCN(C(=O)Oc2ccccc2)C1 ZINC000071144183 173380419 /nfs/dbraw/zinc/38/04/19/173380419.db2.gz UZCPSLWWMHEAKO-LLVKDONJSA-N 1 0 234.299 1.727 10 0 BDAERO C[NH2+]C[C@H]1CC[C@H](Cn2cc(Cl)cn2)O1 ZINC000052577266 173382505 /nfs/dbraw/zinc/38/25/05/173382505.db2.gz OWUILADRVSUQFC-NXEZZACHSA-N 1 0 229.711 1.304 10 0 BDAERO C[NH2+]C[C@H]1CN(C2CCCCC2)CCO1 ZINC000071518564 173382525 /nfs/dbraw/zinc/38/25/25/173382525.db2.gz LKGIWHJNINUQKZ-LBPRGKRZSA-N 1 0 212.337 1.239 10 0 BDAERO C[NH2+]C[C@H]1CC[C@@H](Cn2cc(Cl)cn2)O1 ZINC000052577268 173382627 /nfs/dbraw/zinc/38/26/27/173382627.db2.gz OWUILADRVSUQFC-ZJUUUORDSA-N 1 0 229.711 1.304 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2cnn(C(C)C)c2)C1 ZINC000061683441 173382840 /nfs/dbraw/zinc/38/28/40/173382840.db2.gz BFAVHMQFDMIXMG-LLVKDONJSA-N 1 0 222.336 1.510 10 0 BDAERO C[NH2+]Cc1c(C)cc(C)nc1OCCCOC ZINC000051522391 173384395 /nfs/dbraw/zinc/38/43/95/173384395.db2.gz YXIZNRNKAFPVRX-UHFFFAOYSA-N 1 0 238.331 1.833 10 0 BDAERO C[NH2+]Cc1cc(=O)oc2cc(OC)ccc12 ZINC000007812565 173385830 /nfs/dbraw/zinc/38/58/30/173385830.db2.gz GWMGUFTYUOYYQV-UHFFFAOYSA-N 1 0 219.240 1.521 10 0 in-vivo BDAERO C[NH2+]Cc1cc(Cn2cccn2)oc1C ZINC000052574798 173386845 /nfs/dbraw/zinc/38/68/45/173386845.db2.gz FUFXMOVPRYVLMW-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+]Cc1cc(Cl)c(O)c(OC)c1 ZINC000019776827 173387610 /nfs/dbraw/zinc/38/76/10/173387610.db2.gz FPKFVTWFGHESST-UHFFFAOYSA-N 1 0 201.653 1.774 10 0 BDAERO C[NH2+]Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000034797765 173388284 /nfs/dbraw/zinc/38/82/84/173388284.db2.gz IFQMNFYEADLRKW-UHFFFAOYSA-N 1 0 218.256 1.256 10 0 BDAERO C[NH2+]Cc1ccc(-n2ncc3ccccc32)nn1 ZINC000051488137 173388529 /nfs/dbraw/zinc/38/85/29/173388529.db2.gz MIWJMEWFIQHLAD-UHFFFAOYSA-N 1 0 239.282 1.535 10 0 BDAERO C[NH2+]Cc1ccc(OC2CCCCC2)nn1 ZINC000051523065 173389054 /nfs/dbraw/zinc/38/90/54/173389054.db2.gz XYHCKIABXYVWQU-UHFFFAOYSA-N 1 0 221.304 1.908 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000036282327 173389872 /nfs/dbraw/zinc/38/98/72/173389872.db2.gz JDVCQLLCPKFZKQ-UHFFFAOYSA-N 1 0 244.298 1.241 10 0 BDAERO C[NH2+]Cc1ccccc1O[C@H]1CCC[C@@H]1O ZINC000037702409 173390214 /nfs/dbraw/zinc/39/02/14/173390214.db2.gz UAZZJMBTZHNSLG-AAEUAGOBSA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1cccnc1-n1cnc(C)c1C ZINC000051928420 173390567 /nfs/dbraw/zinc/39/05/67/173390567.db2.gz RULYASURYWALJC-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1ccccc1N(C)CC(=O)NC(C)C ZINC000042609368 173390832 /nfs/dbraw/zinc/39/08/32/173390832.db2.gz JRAPMCPGUUVBFM-UHFFFAOYSA-N 1 0 249.358 1.367 10 0 BDAERO C[NH2+]Cc1cccnc1OC1CCOCC1 ZINC000051522180 173391001 /nfs/dbraw/zinc/39/10/01/173391001.db2.gz VMLHJJSNXLXYGL-UHFFFAOYSA-N 1 0 222.288 1.359 10 0 BDAERO C[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000031886997 173391635 /nfs/dbraw/zinc/39/16/35/173391635.db2.gz LGPXFVHUJDQQHO-UHFFFAOYSA-N 1 0 207.302 1.868 10 0 BDAERO C[NH2+]Cc1cnc(-c2cccc(OC)c2)nc1 ZINC000054855422 173392088 /nfs/dbraw/zinc/39/20/88/173392088.db2.gz SUADKPBMOISEFV-UHFFFAOYSA-N 1 0 229.283 1.872 10 0 BDAERO C[NH2+]Cc1cnc(N2CCOCC2(C)C)s1 ZINC000054909164 173392135 /nfs/dbraw/zinc/39/21/35/173392135.db2.gz DFLHYZQFKHNKAI-UHFFFAOYSA-N 1 0 241.360 1.478 10 0 BDAERO C[NH2+]Cc1nc(CN2CCC[C@H]2C)cs1 ZINC000052375490 173394284 /nfs/dbraw/zinc/39/42/84/173394284.db2.gz FKILXTHWHQAVKW-SECBINFHSA-N 1 0 225.361 1.847 10 0 BDAERO C[NH2+]Cc1nc(-n2ccnc2C)ccc1Cl ZINC000051490940 173394706 /nfs/dbraw/zinc/39/47/06/173394706.db2.gz FVHAMHODBBULJH-UHFFFAOYSA-N 1 0 236.706 1.949 10 0 BDAERO C[NH2+]Cc1nc2cc(Cl)ccc2n1CCO ZINC000040401135 173396794 /nfs/dbraw/zinc/39/67/94/173396794.db2.gz LUTHUYVJIZKLMG-UHFFFAOYSA-N 1 0 239.706 1.401 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(C)c(F)c2)o1 ZINC000050615312 173397360 /nfs/dbraw/zinc/39/73/60/173397360.db2.gz NZUZKUCUXFGXHF-UHFFFAOYSA-N 1 0 221.235 1.904 10 0 BDAERO C[NH2+]Cc1nccn1Cc1noc(C(C)C)n1 ZINC000051004377 173397429 /nfs/dbraw/zinc/39/74/29/173397429.db2.gz IGMNMRXPXHOQKJ-UHFFFAOYSA-N 1 0 235.291 1.157 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccccc2OC)o1 ZINC000050615291 173398087 /nfs/dbraw/zinc/39/80/87/173398087.db2.gz VJADXYHZNWXEPW-UHFFFAOYSA-N 1 0 219.244 1.465 10 0 BDAERO C[NH2+]Cc1nccn1Cc1cccc(C)c1 ZINC000051004647 173398124 /nfs/dbraw/zinc/39/81/24/173398124.db2.gz BVUJPYVFUUVBOJ-UHFFFAOYSA-N 1 0 215.300 1.959 10 0 BDAERO C[NH2+]Cc1nnnn1-c1cccc(Cl)c1 ZINC000054744294 173398270 /nfs/dbraw/zinc/39/82/70/173398270.db2.gz WPAGVBMWSXZNQG-UHFFFAOYSA-N 1 0 223.667 1.035 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H](C)c1ccccc1 ZINC000054745637 173398591 /nfs/dbraw/zinc/39/85/91/173398591.db2.gz MAIBXCVCBICWMQ-SECBINFHSA-N 1 0 217.276 1.002 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H](C)c1cccc(F)c1 ZINC000054747609 173398887 /nfs/dbraw/zinc/39/88/87/173398887.db2.gz DIYZZWYODBEVQE-MRVPVSSYSA-N 1 0 235.266 1.141 10 0 BDAERO C[NH2+]Cc1sc(CCOC)nc1C1CC1 ZINC000082435293 173401195 /nfs/dbraw/zinc/40/11/95/173401195.db2.gz HKHJQXXXIZBNLH-UHFFFAOYSA-N 1 0 226.345 1.929 10 0 BDAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CCCc2occc21 ZINC000054076265 173413922 /nfs/dbraw/zinc/41/39/22/173413922.db2.gz JSNZBTSPDIBGGG-WPRPVWTQSA-N 1 0 222.288 1.381 10 0 BDAERO C[NH2+][C@@H](C)[C@H](O)c1cc(C)ccc1OC ZINC000039105753 173418167 /nfs/dbraw/zinc/41/81/67/173418167.db2.gz HLADHGQSXAVFBF-CABZTGNLSA-N 1 0 209.289 1.645 10 0 BDAERO C[NH2+][C@@H]1CCN(c2cc(F)ccc2F)C1 ZINC000037240915 173436957 /nfs/dbraw/zinc/43/69/57/173436957.db2.gz RZOZLJLZOUSXQF-SECBINFHSA-N 1 0 212.243 1.763 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000054076991 173444356 /nfs/dbraw/zinc/44/43/56/173444356.db2.gz PKVFORHFSIUDTB-VHSXEESVSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+][C@H](CC(=O)OC)Cc1ccccc1 ZINC000074478972 173450920 /nfs/dbraw/zinc/45/09/20/173450920.db2.gz BZSLXQYKHBSSCA-NSHDSACASA-N 1 0 207.273 1.380 10 0 BDAERO C[NH2+][C@H](CO)COc1cc(C)ccc1C ZINC000071511933 173452416 /nfs/dbraw/zinc/45/24/16/173452416.db2.gz QEDYSPVNJPMEHQ-LLVKDONJSA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+][C@H](Cc1nc(C)cs1)c1cnn(C)c1 ZINC000055268291 173454715 /nfs/dbraw/zinc/45/47/15/173454715.db2.gz YOQJCFUCJHSHAO-SNVBAGLBSA-N 1 0 236.344 1.688 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H]1N1CCOCC1(C)C ZINC000043916640 173462170 /nfs/dbraw/zinc/46/21/70/173462170.db2.gz RLQXVKGIPSVKTM-QWRGUYRKSA-N 1 0 212.337 1.238 10 0 BDAERO C[NH2+][C@H]1CCCc2nc(N(C)C)sc21 ZINC000054901301 173463077 /nfs/dbraw/zinc/46/30/77/173463077.db2.gz QMIPEPUJEAJNSV-ZETCQYMHSA-N 1 0 211.334 1.806 10 0 BDAERO C[NH2+][C@H]1CCN([C@H](C)c2ccccc2C)C1=O ZINC000049659980 173465820 /nfs/dbraw/zinc/46/58/20/173465820.db2.gz QLOBAXLYOWBXNA-YPMHNXCESA-N 1 0 232.327 1.876 10 0 BDAERO COC(=O)C[C@@H](C[NH3+])c1c[nH]c2ccccc21 ZINC000027855498 173624482 /nfs/dbraw/zinc/62/44/82/173624482.db2.gz BBMWZQUMBFFKJB-VIFPVBQESA-N 1 0 232.283 1.773 10 0 BDAERO COC(=O)C[C@H]1CC2=C(CCC[C@H]2[NH3+])O1 ZINC000082162630 173637529 /nfs/dbraw/zinc/63/75/29/173637529.db2.gz OTUDPBPQDWXAHP-VXNVDRBHSA-N 1 0 211.261 1.104 10 0 BDAERO COC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@@H](C)C1 ZINC000037963647 173759186 /nfs/dbraw/zinc/75/91/86/173759186.db2.gz MSFVDIWAQFMMDH-DGCLKSJQSA-N 1 0 240.347 1.014 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1c1ccccc1F ZINC000215985961 173818010 /nfs/dbraw/zinc/81/80/10/173818010.db2.gz ZIDHFNSCZCXOEM-QWRGUYRKSA-N 1 0 237.274 1.692 10 0 BDAERO COC1(CC[NH2+][C@H]2CCC(=O)N[C@H]2C)CCC1 ZINC000339154706 173991289 /nfs/dbraw/zinc/99/12/89/173991289.db2.gz BVEXXVPNHBBBQP-QWRGUYRKSA-N 1 0 240.347 1.202 10 0 BDAERO COC1CCN(C(=O)[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000037266870 174026997 /nfs/dbraw/zinc/02/69/97/174026997.db2.gz QBNRJRDZXRRXRZ-QWRGUYRKSA-N 1 0 240.347 1.012 10 0 BDAERO COCCC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000053731212 174123426 /nfs/dbraw/zinc/12/34/26/174123426.db2.gz FZFXAAODSIKOCB-LBPRGKRZSA-N 1 0 240.347 1.014 10 0 BDAERO COCCC(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426504 174125790 /nfs/dbraw/zinc/12/57/90/174125790.db2.gz VABXKWIKIVSMQO-ZDUSSCGKSA-N 1 0 240.347 1.015 10 0 BDAERO COCCCC[NH2+]Cc1cnc2cc(C)nn2c1 ZINC000070166236 174200519 /nfs/dbraw/zinc/20/05/19/174200519.db2.gz IZYYLRFVLULNQU-UHFFFAOYSA-N 1 0 248.330 1.554 10 0 BDAERO COCCCC[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033770 174200823 /nfs/dbraw/zinc/20/08/23/174200823.db2.gz RUNUJPXLOOVJIT-FOSCPWQOSA-N 1 0 215.337 1.959 10 0 BDAERO COCCCN(C)C(=O)[C@@H]1[C@H](C)CCC[C@H]1[NH3+] ZINC000062034706 174212322 /nfs/dbraw/zinc/21/23/22/174212322.db2.gz XAVHKSPVYGTQMJ-IJLUTSLNSA-N 1 0 242.363 1.245 10 0 BDAERO COCCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116317426 174233640 /nfs/dbraw/zinc/23/36/40/174233640.db2.gz NYYXBOUWQZOZJD-LLVKDONJSA-N 1 0 223.320 1.246 10 0 BDAERO COCCCNC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339516418 174244630 /nfs/dbraw/zinc/24/46/30/174244630.db2.gz OWPYWXLWPZFRJE-NSHDSACASA-N 1 0 242.363 1.306 10 0 BDAERO COCCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000037859418 174247189 /nfs/dbraw/zinc/24/71/89/174247189.db2.gz SKWHSTVZBSWTSF-LBPRGKRZSA-N 1 0 243.734 2.000 10 0 BDAERO COCCC[NH2+]CCN(CCOC)CC(C)C ZINC000053392185 174247470 /nfs/dbraw/zinc/24/74/70/174247470.db2.gz NNTPDTSBMKDAFH-UHFFFAOYSA-N 1 0 246.395 1.217 10 0 BDAERO COCCCO[C@H](C[NH3+])c1ccccc1OC ZINC000043100345 174256334 /nfs/dbraw/zinc/25/63/34/174256334.db2.gz VOHCOXDAGVTVGJ-CYBMUJFWSA-N 1 0 239.315 1.748 10 0 BDAERO COCCN(C[C@H]([NH3+])C(C)(C)C)[C@@H](C)COC ZINC000042607190 174297353 /nfs/dbraw/zinc/29/73/53/174297353.db2.gz WGIHYEGOABEWJQ-RYUDHWBXSA-N 1 0 246.395 1.343 10 0 BDAERO COCCN(C[C@](C)([NH3+])C1CC1)[C@H](C)COC ZINC000042610818 174297454 /nfs/dbraw/zinc/29/74/54/174297454.db2.gz SXLZNHRCGVXDKA-YPMHNXCESA-N 1 0 244.379 1.097 10 0 BDAERO COCCN([C@H](C)COC)[C@@H](C[NH3+])C(C)(C)C ZINC000042603099 174302471 /nfs/dbraw/zinc/30/24/71/174302471.db2.gz MOXOOLPOKATDTN-NEPJUHHUSA-N 1 0 246.395 1.343 10 0 BDAERO COCC[N@@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000062614003 174303942 /nfs/dbraw/zinc/30/39/42/174303942.db2.gz UWMFRWBUMRTAKA-LBPRGKRZSA-N 1 0 228.380 1.731 10 0 BDAERO COCCN1C[C@@H](C)[NH2+]C[C@H]1Cc1ccccc1 ZINC000062623351 174317167 /nfs/dbraw/zinc/31/71/67/174317167.db2.gz CBYRAZZCOGJTDF-UKRRQHHQSA-N 1 0 248.370 1.538 10 0 BDAERO COCC[NH2+]CC(=O)c1cc(C)ccc1C ZINC000049818345 174331995 /nfs/dbraw/zinc/33/19/95/174331995.db2.gz ACLWCGGJUHMXAY-UHFFFAOYSA-N 1 0 221.300 1.722 10 0 BDAERO COCC[NH2+]C[C@]1(C[C@@H]2CCCO2)CCOC1 ZINC000054666651 174334771 /nfs/dbraw/zinc/33/47/71/174334771.db2.gz XDAOJMLGHHQUAC-QWHCGFSZSA-N 1 0 243.347 1.198 10 0 BDAERO COCC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009928 174335059 /nfs/dbraw/zinc/33/50/59/174335059.db2.gz BGKFKDIZCZNOPB-NSHDSACASA-N 1 0 207.273 1.226 10 0 BDAERO COCC[NH2+][C@H]1CCOc2ccccc21 ZINC000019881763 174340403 /nfs/dbraw/zinc/34/04/03/174340403.db2.gz NQVOWSHTAPEWSX-NSHDSACASA-N 1 0 207.273 1.746 10 0 BDAERO COCCN[C@](C)(CO)c1c(F)cccc1F ZINC000053292443 174340790 /nfs/dbraw/zinc/34/07/90/174340790.db2.gz WHWGOFVTRPVGQU-GFCCVEGCSA-N 1 0 245.269 1.408 10 0 BDAERO COCCOc1ccc(-c2cc(C[NH3+])[nH]n2)cc1 ZINC000066112830 174367251 /nfs/dbraw/zinc/36/72/51/174367251.db2.gz YYOUUWNAGCYCHJ-UHFFFAOYSA-N 1 0 247.298 1.561 10 0 BDAERO COCCOc1ccc(C[C@H]2CC[NH2+]C2)cc1 ZINC000077371216 174368860 /nfs/dbraw/zinc/36/88/60/174368860.db2.gz GEUDOTOJFIFKGB-CYBMUJFWSA-N 1 0 235.327 1.864 10 0 BDAERO COCC[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000371896738 174385016 /nfs/dbraw/zinc/38/50/16/174385016.db2.gz ADXVWWUEEQOZBF-GHMZBOCLSA-N 1 0 223.320 1.213 10 0 BDAERO COC[C@@H](C[NH3+])Cc1cccc(OC)c1 ZINC000011975733 174470689 /nfs/dbraw/zinc/47/06/89/174470689.db2.gz LTWOQSRPORYLLM-LLVKDONJSA-N 1 0 209.289 1.459 10 0 BDAERO COC[C@@](C)([NH3+])c1cc(F)ccc1OC ZINC000077305511 174522015 /nfs/dbraw/zinc/52/20/15/174522015.db2.gz RALAZFGGAPJXEW-LLVKDONJSA-N 1 0 213.252 1.655 10 0 BDAERO COC[C@H](C)[NH2+][C@H]1COc2cc(O)ccc21 ZINC000019905000 174551926 /nfs/dbraw/zinc/55/19/26/174551926.db2.gz PKQCYSWDCFERTP-KWQFWETISA-N 1 0 223.272 1.450 10 0 BDAERO COC[C@H]([NH3+])Cc1cccc(F)c1F ZINC000060697133 174574815 /nfs/dbraw/zinc/57/48/15/174574815.db2.gz HQPHRMBBKSJLLK-MRVPVSSYSA-N 1 0 201.216 1.481 10 0 BDAERO COc1c(C[NH2+]CC2CCC2)c(C)nn1C ZINC000136357542 174928082 /nfs/dbraw/zinc/92/80/82/174928082.db2.gz TUWGUVXZIHYWQN-UHFFFAOYSA-N 1 0 223.320 1.627 10 0 BDAERO COc1cc(NCC[NH+](C)C)cc(OC)c1 ZINC000020046101 175002601 /nfs/dbraw/zinc/00/26/01/175002601.db2.gz OTFRUQSILBJASF-UHFFFAOYSA-N 1 0 224.304 1.677 10 0 BDAERO COc1cc(OC)c(/C=C/C[NH3+])c(OC)c1 ZINC000069049923 175006044 /nfs/dbraw/zinc/00/60/44/175006044.db2.gz IMRJLIJXYKPRHH-SNAWJCMRSA-N 1 0 223.272 1.684 10 0 BDAERO COc1cc(OC)c(OC)c2c1CC[NH2+][C@@H]2C ZINC000052095385 175007457 /nfs/dbraw/zinc/00/74/57/175007457.db2.gz HZPXHTUVDMRBPJ-MRVPVSSYSA-N 1 0 237.299 1.919 10 0 BDAERO COc1cc(OC)c([C@H](O)CC[NH3+])c(OC)c1 ZINC000091909153 175008065 /nfs/dbraw/zinc/00/80/65/175008065.db2.gz RTOGUURPWUZWRG-SECBINFHSA-N 1 0 241.287 1.095 10 0 BDAERO COc1cc(OC)cc(OCC[C@H](C)[NH3+])c1 ZINC000032015033 175010244 /nfs/dbraw/zinc/01/02/44/175010244.db2.gz WVFMKNYCVVZJQR-VIFPVBQESA-N 1 0 225.288 1.820 10 0 BDAERO COc1cc([C@@H](O)[C@@H]([NH3+])CC(C)C)ccc1O ZINC000054929251 175014892 /nfs/dbraw/zinc/01/48/92/175014892.db2.gz LUFLQHTZECZNSE-GXFFZTMASA-N 1 0 239.315 1.808 10 0 BDAERO COc1cc([C@H](N)C[NH3+])c(Cl)cc1O ZINC000072200925 175017175 /nfs/dbraw/zinc/01/71/75/175017175.db2.gz HYXJBXHFZSRMFK-SSDOTTSWSA-N 1 0 216.668 1.013 10 0 BDAERO COc1cc([C@H]2CCC[NH2+]C2)ccc1N ZINC000075905022 175017258 /nfs/dbraw/zinc/01/72/58/175017258.db2.gz NGRYSXIEUGQSPS-JTQLQIEISA-N 1 0 206.289 1.744 10 0 BDAERO COc1ccc(-c2n[nH]c3c2C[C@@H]([NH3+])CC3)cc1 ZINC000040442965 175037385 /nfs/dbraw/zinc/03/73/85/175037385.db2.gz HFVLZEDLMWVWAO-JTQLQIEISA-N 1 0 243.310 1.901 10 0 BDAERO COc1ccc(-c2nc(C[NH3+])[nH]c2C)cc1 ZINC000036870959 175039178 /nfs/dbraw/zinc/03/91/78/175039178.db2.gz FXXQIHZZGXNPBE-UHFFFAOYSA-N 1 0 217.272 1.852 10 0 BDAERO COc1ccc(-c2nnc(CCC[NH3+])o2)cc1O ZINC000083380384 175041787 /nfs/dbraw/zinc/04/17/87/175041787.db2.gz APZHPKSALXWGLR-UHFFFAOYSA-N 1 0 249.270 1.342 10 0 BDAERO COc1ccc(-n2cnc(C[NH3+])c2)cc1OC ZINC000082546940 175044669 /nfs/dbraw/zinc/04/46/69/175044669.db2.gz VEYCMRGQRXSPIE-UHFFFAOYSA-N 1 0 233.271 1.348 10 0 BDAERO COc1ccc(C(=O)C[NH2+]C(C)C)cc1 ZINC000041613037 175054025 /nfs/dbraw/zinc/05/40/25/175054025.db2.gz MYMCBVAHEIDEKB-UHFFFAOYSA-N 1 0 207.273 1.876 10 0 BDAERO COc1ccc(C(=O)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000082721878 175064991 /nfs/dbraw/zinc/06/49/91/175064991.db2.gz NOGWFBRZXPGEMW-LBPRGKRZSA-N 1 0 219.284 1.938 10 0 BDAERO COc1ccc(C(=O)[C@@H]([NH3+])C(C)C)cc1OC ZINC000032090210 175065509 /nfs/dbraw/zinc/06/55/09/175065509.db2.gz OIBCHCMYWZTBPT-LBPRGKRZSA-N 1 0 237.299 1.870 10 0 BDAERO COc1ccc(C(=O)[C@H](C)[NH3+])c(OC)c1 ZINC000026751285 175066350 /nfs/dbraw/zinc/06/63/50/175066350.db2.gz RFHRDZSOSYEDHE-ZETCQYMHSA-N 1 0 209.245 1.234 10 0 BDAERO COc1ccc(C(=O)[C@H](C)N2CC[NH2+]CC2)cc1 ZINC000032103725 175066400 /nfs/dbraw/zinc/06/64/00/175066400.db2.gz HAEROVBNZLYOOD-NSHDSACASA-N 1 0 248.326 1.172 10 0 BDAERO COc1ccc(C)cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000104313959 175073259 /nfs/dbraw/zinc/07/32/59/175073259.db2.gz SISDAZXYWCUFLM-GFCCVEGCSA-N 1 0 248.326 1.471 10 0 BDAERO COc1ccc(C)cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000052943828 175073304 /nfs/dbraw/zinc/07/33/04/175073304.db2.gz FJHLQFHSHRSJNC-LLVKDONJSA-N 1 0 248.326 1.567 10 0 BDAERO COc1ccc(C)cc1[C@](O)(C[NH3+])C1CC1 ZINC000049818458 175082869 /nfs/dbraw/zinc/08/28/69/175082869.db2.gz WVXQLHLPXCXIFK-ZDUSSCGKSA-N 1 0 221.300 1.560 10 0 BDAERO COc1ccc(CCC[NH2+]CCO)cc1 ZINC000076286861 175089494 /nfs/dbraw/zinc/08/94/94/175089494.db2.gz KAUWSBZXUJXRHO-UHFFFAOYSA-N 1 0 209.289 1.210 10 0 BDAERO COc1ccc(CCN2CCC[NH2+]CC2=O)cc1 ZINC000071563060 175090775 /nfs/dbraw/zinc/09/07/75/175090775.db2.gz RGHYZLJSUBUTDB-UHFFFAOYSA-N 1 0 248.326 1.060 10 0 BDAERO COc1ccc(CC[NH2+]C[C@@H](C)O)cc1C ZINC000098124832 175091414 /nfs/dbraw/zinc/09/14/14/175091414.db2.gz OTRISJINVVVWFQ-LLVKDONJSA-N 1 0 223.316 1.517 10 0 BDAERO COc1ccc(CC[NH2+][C@H](C)CO)cc1 ZINC000083827299 175092543 /nfs/dbraw/zinc/09/25/43/175092543.db2.gz VWSGJDCSCXTUHX-SNVBAGLBSA-N 1 0 209.289 1.208 10 0 BDAERO COc1ccc(CC[C@@](C)([NH3+])c2ncon2)cc1 ZINC000037846599 175093417 /nfs/dbraw/zinc/09/34/17/175093417.db2.gz JGANBNSGBMWFHY-CYBMUJFWSA-N 1 0 247.298 1.885 10 0 BDAERO COc1ccc(C[C@@H](C)C[NH3+])c(OC)c1 ZINC000011975142 175115250 /nfs/dbraw/zinc/11/52/50/175115250.db2.gz KNUIUCAUJIFJPK-SECBINFHSA-N 1 0 209.289 1.841 10 0 BDAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C(N)=O)cc1 ZINC000035792220 175115647 /nfs/dbraw/zinc/11/56/47/175115647.db2.gz PGWBZNMPHPBQEO-ZJUUUORDSA-N 1 0 236.315 1.090 10 0 BDAERO COc1ccc(Cl)cc1[C@](C)([NH3+])CO ZINC000077307801 175122670 /nfs/dbraw/zinc/12/26/70/175122670.db2.gz LBDLDNJPYFFHEV-SNVBAGLBSA-N 1 0 215.680 1.515 10 0 BDAERO COc1ccc(Cl)cc1[C@H](O)[C@H](C)[NH3+] ZINC000071519484 175122972 /nfs/dbraw/zinc/12/29/72/175122972.db2.gz DRRDLGZGYCBXDX-QUBYGPBYSA-N 1 0 215.680 1.729 10 0 BDAERO COc1ccc(F)cc1[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000036164246 175133149 /nfs/dbraw/zinc/13/31/49/175133149.db2.gz XBPYLMJYMGDSMM-ZANVPECISA-N 1 0 239.290 1.867 10 0 BDAERO COc1ccc(F)cc1[C@](O)(C[NH3+])C1CC1 ZINC000049820028 175134225 /nfs/dbraw/zinc/13/42/25/175134225.db2.gz NQSJJZXLOUDHHL-LBPRGKRZSA-N 1 0 225.263 1.391 10 0 BDAERO COc1ccc(N(CCC[NH3+])C(C)=O)cc1 ZINC000020233712 175137039 /nfs/dbraw/zinc/13/70/39/175137039.db2.gz KSVWJOWHQZQPPK-UHFFFAOYSA-N 1 0 222.288 1.397 10 0 BDAERO COc1ccc(NC(=O)C[C@@H](C)C[NH3+])cc1 ZINC000076611160 175142428 /nfs/dbraw/zinc/14/24/28/175142428.db2.gz VDNGOKGNJRVFFD-SECBINFHSA-N 1 0 222.288 1.619 10 0 BDAERO COc1ccc(NC(=O)C[C@@H](C)[NH3+])cc1C ZINC000049532018 175142848 /nfs/dbraw/zinc/14/28/48/175142848.db2.gz UXBPHTQRKFXLOW-SECBINFHSA-N 1 0 222.288 1.679 10 0 BDAERO COc1ccc(OC)c([C@@H](O)[C@@H]2CCC[NH2+]2)c1 ZINC000033466031 175167819 /nfs/dbraw/zinc/16/78/19/175167819.db2.gz HMRCSDPLBKIIFV-WCQYABFASA-N 1 0 237.299 1.489 10 0 BDAERO COc1ccc(OC)c([C@@H](O)C(C)(C)[NH3+])c1 ZINC000019684273 175168433 /nfs/dbraw/zinc/16/84/33/175168433.db2.gz BNTJMLFGLSBGTB-LLVKDONJSA-N 1 0 225.288 1.475 10 0 BDAERO COc1ccc(OC)c([C@H]2C[NH2+][C@H](C)CO2)c1 ZINC000033466010 175169078 /nfs/dbraw/zinc/16/90/78/175169078.db2.gz UPYHMHWXHIDIRU-NOZJJQNGSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc(OC)c([C@H](O)[C@H]([NH3+])C(C)C)c1 ZINC000033468696 175169259 /nfs/dbraw/zinc/16/92/59/175169259.db2.gz QNBNVGWNAVHOJG-OLZOCXBDSA-N 1 0 239.315 1.721 10 0 BDAERO COc1ccc(OCCOC(C)C)c(C[NH3+])c1 ZINC000049258926 175172701 /nfs/dbraw/zinc/17/27/01/175172701.db2.gz SRGDTOWNIHCXRU-UHFFFAOYSA-N 1 0 239.315 1.958 10 0 BDAERO COc1ccc(SC[C@@H](O)CC[NH3+])c(C)c1 ZINC000019687084 175174963 /nfs/dbraw/zinc/17/49/63/175174963.db2.gz NMQOXOIZKYFYKY-JTQLQIEISA-N 1 0 241.356 1.805 10 0 BDAERO COc1ccc([C@@H](N)C[NH3+])cc1Cl ZINC000044471901 175179876 /nfs/dbraw/zinc/17/98/76/175179876.db2.gz BQIJRRZUKFQCAU-QMMMGPOBSA-N 1 0 200.669 1.307 10 0 BDAERO COc1ccc([C@@H](O)C[NH2+]C(C)C)cc1OC ZINC000005442159 175180744 /nfs/dbraw/zinc/18/07/44/175180744.db2.gz MVTHUHYTFNDNEO-NSHDSACASA-N 1 0 239.315 1.735 10 0 BDAERO COc1ccc([C@@H](O)C2CC[NH2+]CC2)c(F)c1 ZINC000036767279 175180782 /nfs/dbraw/zinc/18/07/82/175180782.db2.gz LFVWYZIPQUCDRQ-ZDUSSCGKSA-N 1 0 239.290 1.867 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CCOC2)cc1 ZINC000071510369 175183438 /nfs/dbraw/zinc/18/34/38/175183438.db2.gz LZYPFZYHKDASSY-LLVKDONJSA-N 1 0 207.273 1.399 10 0 BDAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCO)C2)cc1 ZINC000083110027 175184515 /nfs/dbraw/zinc/18/45/15/175184515.db2.gz OGZABVBMRSIQQQ-DGCLKSJQSA-N 1 0 235.327 1.865 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H]2CCOC2)c(F)c1 ZINC000048625980 175191676 /nfs/dbraw/zinc/19/16/76/175191676.db2.gz FTWFEHBFJOWGQV-PRHODGIISA-N 1 0 225.263 1.871 10 0 BDAERO COc1ccc([C@H](N)C[NH3+])c2ccccc12 ZINC000044469130 175191754 /nfs/dbraw/zinc/19/17/54/175191754.db2.gz MMZIAMBOTSFTCK-GFCCVEGCSA-N 1 0 216.284 1.807 10 0 BDAERO COc1ccc([C@H](N)C[NH3+])c(Cl)c1 ZINC000072200573 175192184 /nfs/dbraw/zinc/19/21/84/175192184.db2.gz RJWVZCSZSHXQQG-SECBINFHSA-N 1 0 200.669 1.307 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@H](C)O2)c(OC)c1 ZINC000033466026 175196370 /nfs/dbraw/zinc/19/63/70/175196370.db2.gz PPPDINSFRICPHN-TVQRCGJNSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@H](C)O2)cc1OC ZINC000033466018 175197294 /nfs/dbraw/zinc/19/72/94/175197294.db2.gz FTTZCTQTVKSJGY-TVQRCGJNSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@](C)(O)CC[NH3+])cc1OC ZINC000071532327 175199815 /nfs/dbraw/zinc/19/98/15/175199815.db2.gz LGLCAIBXLUMESS-GFCCVEGCSA-N 1 0 225.288 1.260 10 0 BDAERO COc1ccc([C@](C)([NH3+])c2cncnc2)cc1 ZINC000052887686 175199943 /nfs/dbraw/zinc/19/99/43/175199943.db2.gz KZFZQQBYASMLQC-ZDUSSCGKSA-N 1 0 229.283 1.707 10 0 BDAERO COc1ccc2c(c1)CC[C@@H]2NC(N)=[NH2+] ZINC000169323203 175209843 /nfs/dbraw/zinc/20/98/43/175209843.db2.gz GAUOSQWYVHVVHK-JTQLQIEISA-N 1 0 205.261 1.166 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](O)CCC2 ZINC000039941527 175214039 /nfs/dbraw/zinc/21/40/39/175214039.db2.gz CDTLEIRLGGLWRL-VXGBXAGGSA-N 1 0 207.273 1.392 10 0 BDAERO COc1ccc2c(c1)[C@H](C)[N@@H+](C)C[C@H]2O ZINC000039105638 175215671 /nfs/dbraw/zinc/21/56/71/175215671.db2.gz VCCPFMWDNIGJPR-QPUJVOFHSA-N 1 0 207.273 1.735 10 0 BDAERO COc1ccc2c(c1)[nH+]c(N)n2C1CC1 ZINC000075947246 175220247 /nfs/dbraw/zinc/22/02/47/175220247.db2.gz YYEPYBDSBYSLJQ-UHFFFAOYSA-N 1 0 203.245 1.962 10 0 BDAERO COc1cccc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]32)c1 ZINC000096083160 175244347 /nfs/dbraw/zinc/24/43/47/175244347.db2.gz HYBWZYRNLRYLIQ-AAEUAGOBSA-N 1 0 246.310 1.129 10 0 BDAERO COc1cccc(C2CC([NH2+][C@H](C)CO)C2)c1 ZINC000036846544 175249253 /nfs/dbraw/zinc/24/92/53/175249253.db2.gz JYXAYSPIMVLRRV-QFWMXSHPSA-N 1 0 235.327 1.912 10 0 BDAERO COc1cccc(CCN2CC[NH2+]C[C@@H](C)C2)c1 ZINC000071563480 175251362 /nfs/dbraw/zinc/25/13/62/175251362.db2.gz REQYPKWLBHWGKL-CYBMUJFWSA-N 1 0 248.370 1.779 10 0 BDAERO COc1cccc(CCC[C@@H](O)C[NH3+])c1 ZINC000071511672 175252204 /nfs/dbraw/zinc/25/22/04/175252204.db2.gz AVLCJWCZYDANLQ-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO COc1cccc(CC[NH2+][C@@H](C)CO)c1 ZINC000098123919 175252850 /nfs/dbraw/zinc/25/28/50/175252850.db2.gz SFKYXFQVVLMFGO-JTQLQIEISA-N 1 0 209.289 1.208 10 0 BDAERO COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282310152 175266447 /nfs/dbraw/zinc/26/64/47/175266447.db2.gz KJSJOOYYPNTCMU-ZWNOBZJWSA-N 1 0 248.326 1.452 10 0 BDAERO COc1cccc(OC)c1OCCOCC[NH3+] ZINC000020221457 175282926 /nfs/dbraw/zinc/28/29/26/175282926.db2.gz XWNMOBUBTPWHGA-UHFFFAOYSA-N 1 0 241.287 1.058 10 0 BDAERO COc1cccc([C@@H](O)[C@@H]([NH3+])C(C)C)c1 ZINC000071511667 175289947 /nfs/dbraw/zinc/28/99/47/175289947.db2.gz AVRYTPLLXQKMQF-NWDGAFQWSA-N 1 0 209.289 1.712 10 0 BDAERO COc1cccc([C@H](O)[C@@H]2CCC[NH2+]2)c1 ZINC000041215806 175295107 /nfs/dbraw/zinc/29/51/07/175295107.db2.gz KORIPTOVWUHPED-RYUDHWBXSA-N 1 0 207.273 1.481 10 0 BDAERO COc1cccc([C@H]([C@H](C)[NH3+])n2cccn2)c1 ZINC000043028707 175296197 /nfs/dbraw/zinc/29/61/97/175296197.db2.gz GFLBXMIDSPEZJF-GWCFXTLKSA-N 1 0 231.299 1.828 10 0 BDAERO COc1cccc2cc(CC[NH3+])cnc21 ZINC000082162728 175306593 /nfs/dbraw/zinc/30/65/93/175306593.db2.gz GCQSRADGKGGMPA-UHFFFAOYSA-N 1 0 202.257 1.745 10 0 BDAERO COc1ccccc1-c1nccc(C[NH3+])n1 ZINC000054791105 175311834 /nfs/dbraw/zinc/31/18/34/175311834.db2.gz REPBWAPTYARJBD-UHFFFAOYSA-N 1 0 215.256 1.611 10 0 BDAERO COc1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170863666 175317698 /nfs/dbraw/zinc/31/76/98/175317698.db2.gz RFVBSSGOSYULTP-NSHDSACASA-N 1 0 248.326 1.471 10 0 BDAERO COc1ccccc1CC(=[NH2+])N1CCOCC1 ZINC000059925193 175320994 /nfs/dbraw/zinc/32/09/94/175320994.db2.gz LSBYSNFGEGDAOQ-UHFFFAOYSA-N 1 0 234.299 1.547 10 0 BDAERO COc1ccccc1C[C@H](O)[C@H]1CCC[NH2+]1 ZINC000041237410 175333684 /nfs/dbraw/zinc/33/36/84/175333684.db2.gz GRHBIHILGWTKLE-NEPJUHHUSA-N 1 0 221.300 1.351 10 0 BDAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])n1cncn1 ZINC000043098652 175348858 /nfs/dbraw/zinc/34/88/58/175348858.db2.gz CNTHLEGRAIADMK-JOYOIKCWSA-N 1 0 232.287 1.223 10 0 BDAERO COc1ccccc1[C@@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000071545730 175350096 /nfs/dbraw/zinc/35/00/96/175350096.db2.gz MLFVAKKWWUASBD-RISCZKNCSA-N 1 0 235.327 1.902 10 0 BDAERO COc1ccccc1[C@H](C)N(C)C(=O)C[NH3+] ZINC000037808285 175350580 /nfs/dbraw/zinc/35/05/80/175350580.db2.gz UCUIZSFYQHCFGX-VIFPVBQESA-N 1 0 222.288 1.173 10 0 BDAERO COc1ccccc1[C@H](C[NH3+])n1cccn1 ZINC000043098627 175353661 /nfs/dbraw/zinc/35/36/61/175353661.db2.gz ODGMNJRXHOFFSN-NSHDSACASA-N 1 0 217.272 1.440 10 0 BDAERO COc1ccccc1[C@H](O)C[NH+]1CCCC1 ZINC000019784876 175354753 /nfs/dbraw/zinc/35/47/53/175354753.db2.gz GERCNBJIKJSWLK-GFCCVEGCSA-N 1 0 221.300 1.824 10 0 BDAERO COc1cncc([C@H]2C[NH+]3CCC2CC3)n1 ZINC000013448169 175386796 /nfs/dbraw/zinc/38/67/96/175386796.db2.gz BRQJOEFGGNGXAA-JTQLQIEISA-N 1 0 219.288 1.294 10 0 BDAERO COc1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]23)ccc1N ZINC000049564610 175395915 /nfs/dbraw/zinc/39/59/15/175395915.db2.gz PEJXSRJBSXAJGV-GHMZBOCLSA-N 1 0 248.330 1.321 10 0 BDAERO COc1ncccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037629194 175408871 /nfs/dbraw/zinc/40/88/71/175408871.db2.gz FZNUJFLNZXGCCN-UHFFFAOYSA-N 1 0 249.314 1.546 10 0 BDAERO CSC[C@@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000055229677 175515936 /nfs/dbraw/zinc/51/59/36/175515936.db2.gz CNKWCEWBKBTWLS-SECBINFHSA-N 1 0 225.313 1.821 10 0 BDAERO C[C@@H](C[NH3+])CN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000042455313 175706811 /nfs/dbraw/zinc/70/68/11/175706811.db2.gz MQSLIXYTMPXXPV-NSHDSACASA-N 1 0 249.358 1.419 10 0 BDAERO C[C@@H](C[NH2+]C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951965 175730758 /nfs/dbraw/zinc/73/07/58/175730758.db2.gz HSNNTVUYFYQHES-UWVGGRQHSA-N 1 0 233.377 1.445 10 0 BDAERO C[C@@H]([NH3+])CN1CCCN(Cc2ccccc2)C1=O ZINC000096963563 175805757 /nfs/dbraw/zinc/80/57/57/175805757.db2.gz QAKKODOQCCZEGY-GFCCVEGCSA-N 1 0 247.342 1.662 10 0 BDAERO C[C@@H]([NH3+])CSc1nc2cccnc2[nH]1 ZINC000075954826 175806700 /nfs/dbraw/zinc/80/67/00/175806700.db2.gz LGZFVSOWZXIWFZ-ZCFIWIBFSA-N 1 0 208.290 1.397 10 0 BDAERO C[C@@H]([NH3+])[C@H](N)c1ccc(Br)cc1 ZINC000047845228 175812734 /nfs/dbraw/zinc/81/27/34/175812734.db2.gz KPXSLYDRCRQFRW-MUWHJKNJSA-N 1 0 229.121 1.796 10 0 BDAERO C[C@@H]([NH3+])[C@H](Sc1nnnn1C)C(C)(C)C ZINC000043297371 175812881 /nfs/dbraw/zinc/81/28/81/175812881.db2.gz OPHSALWPKVJOLB-RQJHMYQMSA-N 1 0 229.353 1.064 10 0 BDAERO C[C@@H]([NH3+])[C@](O)(c1cncc(F)c1)C(F)(F)F ZINC000062784794 175814859 /nfs/dbraw/zinc/81/48/59/175814859.db2.gz GTFSVYKLEXDEFT-XRGYYRRGSA-N 1 0 238.184 1.318 10 0 BDAERO C[C@@H]([NH3+])c1ccc(NC(=O)N(C)C)cc1 ZINC000041712275 175817563 /nfs/dbraw/zinc/81/75/63/175817563.db2.gz FEVBBICHTDBTBC-MRVPVSSYSA-N 1 0 207.277 1.800 10 0 BDAERO C[C@@H](Oc1cccc(C[NH3+])c1)C(=O)N1CCCC1 ZINC000020386988 176005126 /nfs/dbraw/zinc/00/51/26/176005126.db2.gz UITBMCVPCUBLFD-LLVKDONJSA-N 1 0 248.326 1.535 10 0 BDAERO C[C@@H]([C@H](O)c1ccccc1)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000104126097 176012024 /nfs/dbraw/zinc/01/20/24/176012024.db2.gz RBPVDHHNUWERPJ-IPYPFGDCSA-N 1 0 248.370 1.744 10 0 BDAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCC[C@H](O)C1 ZINC000040908866 176015540 /nfs/dbraw/zinc/01/55/40/176015540.db2.gz CTRMYUFBIFDVEQ-GWCFXTLKSA-N 1 0 220.316 1.787 10 0 BDAERO C[C@@H](c1ccc[nH]1)[NH+]1CCC(CO)CC1 ZINC000095089025 176016601 /nfs/dbraw/zinc/01/66/01/176016601.db2.gz GFUQOIDUQRRDPR-JTQLQIEISA-N 1 0 208.305 1.780 10 0 BDAERO C[C@@H](c1nccs1)N1CCC[C@@H]([NH3+])C1 ZINC000100256907 176038997 /nfs/dbraw/zinc/03/89/97/176038997.db2.gz ZPHHAXPORGYSEL-DTWKUNHWSA-N 1 0 211.334 1.627 10 0 BDAERO C[C@@H](c1ccccc1)N1CC[C@H]([NH3+])C1=O ZINC000049647593 176022284 /nfs/dbraw/zinc/02/22/84/176022284.db2.gz KUMWEHXENPXPEV-ONGXEEELSA-N 1 0 204.273 1.307 10 0 BDAERO C[C@@H](c1ccccc1F)N1C[C@H]([NH3+])CC1=O ZINC000049531914 176025386 /nfs/dbraw/zinc/02/53/86/176025386.db2.gz QCTWODCKFIOEOA-DTWKUNHWSA-N 1 0 222.263 1.446 10 0 BDAERO C[C@@H](c1cnccn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000184663612 176037522 /nfs/dbraw/zinc/03/75/22/176037522.db2.gz KTGPTSXVEPKATR-QWHCGFSZSA-N 1 0 246.358 1.708 10 0 BDAERO C[C@@H](c1nc2ccc(F)cc2o1)N1CC[NH2+]CC1 ZINC000104241676 176039719 /nfs/dbraw/zinc/03/97/19/176039719.db2.gz YJDMXPJZEIUFSF-VIFPVBQESA-N 1 0 249.289 1.933 10 0 BDAERO C[C@@H]1CCCN(C(=O)C2(C[NH3+])CCC2)C1 ZINC000082641467 176090814 /nfs/dbraw/zinc/09/08/14/176090814.db2.gz HTVVXHPHHKZBMI-SNVBAGLBSA-N 1 0 210.321 1.374 10 0 BDAERO C[C@@H]1CCCC[C@]1([NH3+])C(=O)OCC1CC1 ZINC000041038360 176091511 /nfs/dbraw/zinc/09/15/11/176091511.db2.gz KLLCWXOXELHFMI-BXKDBHETSA-N 1 0 211.305 1.847 10 0 BDAERO C[C@@H]1CCCN(CCC(F)(F)F)[C@@H]1C[NH3+] ZINC000070914891 176097141 /nfs/dbraw/zinc/09/71/41/176097141.db2.gz HHIFTYZJTQGZSF-RKDXNWHRSA-N 1 0 224.270 1.998 10 0 BDAERO C[C@@H]1CCC[N@H+](CCn2cc(N)cn2)C1 ZINC000050614580 176099717 /nfs/dbraw/zinc/09/97/17/176099717.db2.gz ZQDXVOWYZQDNCT-SNVBAGLBSA-N 1 0 208.309 1.197 10 0 BDAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000020075277 176102534 /nfs/dbraw/zinc/10/25/34/176102534.db2.gz NJDVSKALVMDACN-PWSUYJOCSA-N 1 0 222.336 1.152 10 0 BDAERO C[C@@H]1CCC[N@@H+]1[C@@H]1COc2ccccc2[C@@H]1N ZINC000037910689 176110336 /nfs/dbraw/zinc/11/03/36/176110336.db2.gz IRXWOVMFIYTFDI-QKCSRTOESA-N 1 0 232.327 1.932 10 0 BDAERO C[C@@H]1CCC[N@@H+]1[C@]1(CN)CCSC1 ZINC000037910489 176111405 /nfs/dbraw/zinc/11/14/05/176111405.db2.gz ZTBWPZHMBGLQJR-ZJUUUORDSA-N 1 0 200.351 1.305 10 0 BDAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCn1cc(N)cn1 ZINC000050614606 176115860 /nfs/dbraw/zinc/11/58/60/176115860.db2.gz LJZHWGJBUYMTLO-GHMZBOCLSA-N 1 0 222.336 1.728 10 0 BDAERO C[C@@H]1CCC[C@@](C[NH3+])(N2CCO[C@H](C)C2)C1 ZINC000034754768 176133887 /nfs/dbraw/zinc/13/38/87/176133887.db2.gz PRZXOCHVTQQRAV-JHJVBQTASA-N 1 0 226.364 1.615 10 0 BDAERO C[C@@H]1CCC[C@H](CN2CCCCC2=O)[NH2+]1 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C[C@@H]1CCN(Cc2cscn2)[C@@H](C[NH3+])C1 ZINC000235342637 176176963 /nfs/dbraw/zinc/17/69/63/176176963.db2.gz XVCWFMBTYHOOHE-MWLCHTKSSA-N 1 0 225.361 1.702 10 0 BDAERO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCn2cncn2)C1 ZINC000362977279 176199661 /nfs/dbraw/zinc/19/96/61/176199661.db2.gz PZFJRKGTOFTTMS-UTUOFQBUSA-N 1 0 222.336 1.692 10 0 BDAERO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCn2cncn2)C1 ZINC000362977278 176200451 /nfs/dbraw/zinc/20/04/51/176200451.db2.gz PZFJRKGTOFTTMS-IJLUTSLNSA-N 1 0 222.336 1.692 10 0 BDAERO C[C@@H]1CN(C(=O)C(Cl)(Cl)Cl)CC[NH2+]1 ZINC000062621705 176242004 /nfs/dbraw/zinc/24/20/04/176242004.db2.gz FXZXJQUUEBMHRT-RXMQYKEDSA-N 1 0 245.537 1.177 10 0 BDAERO C[C@H](CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)C(C)(C)C ZINC000235269948 176247226 /nfs/dbraw/zinc/24/72/26/176247226.db2.gz VGWHDWZHFRIPKL-MXWKQRLJSA-N 1 0 226.364 1.864 10 0 BDAERO C[C@@H]1C[N@H+](C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000073653648 176268171 /nfs/dbraw/zinc/26/81/71/176268171.db2.gz WVKQWWLNMFYSHO-ZJUUUORDSA-N 1 0 228.336 1.851 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCCC2)CC(C)(C)O1 ZINC000045664741 176280958 /nfs/dbraw/zinc/28/09/58/176280958.db2.gz GZFSKVOQWGYZRX-LLVKDONJSA-N 1 0 226.364 1.757 10 0 BDAERO C[C@@H]1C[N@H+](CCc2ccccc2N)CCO1 ZINC000052909254 176294505 /nfs/dbraw/zinc/29/45/05/176294505.db2.gz IVOAUKSDQNXVDS-LLVKDONJSA-N 1 0 220.316 1.532 10 0 BDAERO C[C@@H]1CN(Cc2cn(C)c3ccccc23)CC[NH2+]1 ZINC000077394196 176309182 /nfs/dbraw/zinc/30/91/82/176309182.db2.gz DVRDJSQOMYUZLL-GFCCVEGCSA-N 1 0 243.354 1.972 10 0 BDAERO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCCO2)S1 ZINC000042823910 176324642 /nfs/dbraw/zinc/32/46/42/176324642.db2.gz PNYKFXHYLACPFD-BDAKNGLRSA-N 1 0 214.334 1.636 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2cccnc2)C[C@@H](C)O1 ZINC000019258385 176315093 /nfs/dbraw/zinc/31/50/93/176315093.db2.gz YIIJEYBSIBXNMZ-WZRBSPASSA-N 1 0 235.331 1.191 10 0 BDAERO C[C@@H]1CN([C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC1=O ZINC000049693904 176315336 /nfs/dbraw/zinc/31/53/36/176315336.db2.gz ATJNBXBRDQROAQ-JHJVBQTASA-N 1 0 236.359 1.524 10 0 BDAERO C[C@@H]1CN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CCO1 ZINC000023067330 176316488 /nfs/dbraw/zinc/31/64/88/176316488.db2.gz MSGALTHNSBGMDU-HONMWMINSA-N 1 0 232.327 1.332 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1 ZINC000113223479 176322590 /nfs/dbraw/zinc/32/25/90/176322590.db2.gz ACGNAWJAGXLOBZ-DGCLKSJQSA-N 1 0 245.326 1.390 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccno1 ZINC000300405575 176322695 /nfs/dbraw/zinc/32/26/95/176322695.db2.gz YNGYVAYYLLCLBN-NEPJUHHUSA-N 1 0 235.331 1.733 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCOC1 ZINC000082699257 176323147 /nfs/dbraw/zinc/32/31/47/176323147.db2.gz BYUZEHBXTAKVCD-FRRDWIJNSA-N 1 0 224.348 1.191 10 0 BDAERO C[C@@H]1C[NH2+]CCN1Cc1ncc(C(C)(C)C)o1 ZINC000054372357 176328132 /nfs/dbraw/zinc/32/81/32/176328132.db2.gz KGCDUVMVCIIAEH-SNVBAGLBSA-N 1 0 237.347 1.766 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(F)c(F)c1 ZINC000104407961 176328786 /nfs/dbraw/zinc/32/87/86/176328786.db2.gz OICOPMARGJRRSV-APPZFPTMSA-N 1 0 240.253 1.759 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)N1CCc1cccs1 ZINC000019801275 176329328 /nfs/dbraw/zinc/32/93/28/176329328.db2.gz LLXTXRAXGGNBAC-GHMZBOCLSA-N 1 0 224.373 1.973 10 0 BDAERO C[C@@H]1COCCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000035778278 176333836 /nfs/dbraw/zinc/33/38/36/176333836.db2.gz DGODRXBMPIOOQZ-SNVBAGLBSA-N 1 0 249.314 1.398 10 0 BDAERO C[C@@H]1COCCN1C(=O)c1cccc(CC[NH3+])c1 ZINC000053662124 176334755 /nfs/dbraw/zinc/33/47/55/176334755.db2.gz IBNHLNGNAVWBMG-LLVKDONJSA-N 1 0 248.326 1.049 10 0 BDAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1ccccc1F ZINC000035774470 176337043 /nfs/dbraw/zinc/33/70/43/176337043.db2.gz DOBVBZIGVPPSFQ-MFKMUULPSA-N 1 0 238.306 1.546 10 0 BDAERO C[C@@H]1COCCN1Cc1ccccc1C[NH3+] ZINC000035773952 176337139 /nfs/dbraw/zinc/33/71/39/176337139.db2.gz SUDQWSAVBLHYEJ-LLVKDONJSA-N 1 0 220.316 1.366 10 0 BDAERO C[C@@H]1COCCN1[C@H](C[NH3+])CC(C)(C)C ZINC000061839780 176337690 /nfs/dbraw/zinc/33/76/90/176337690.db2.gz XWAPSQJHVFYGGC-MNOVXSKESA-N 1 0 214.353 1.471 10 0 BDAERO C[C@@H]1COCCN1Cc1ccc(C[NH3+])cc1F ZINC000035774129 176337942 /nfs/dbraw/zinc/33/79/42/176337942.db2.gz PHFVGAIKUDIIKA-SNVBAGLBSA-N 1 0 238.306 1.505 10 0 BDAERO C[C@@H]1COC[C@H](CCc2ccccc2)[NH2+]1 ZINC000071509374 176346695 /nfs/dbraw/zinc/34/66/95/176346695.db2.gz NHZQAUFSCLLOPM-YPMHNXCESA-N 1 0 205.301 1.996 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2c(F)cccc2[C@@H]1[NH3+] ZINC000035755757 176348982 /nfs/dbraw/zinc/34/89/82/176348982.db2.gz WRUKIUGSSPAMQU-HZGVNTEJSA-N 1 0 229.276 1.249 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2c(Cl)cccc2[C@H]1[NH3+] ZINC000035755657 176348994 /nfs/dbraw/zinc/34/89/94/176348994.db2.gz OWTSAYAZBCCPLV-MUWHJKNJSA-N 1 0 245.731 1.763 10 0 BDAERO C[C@@H]1C[C@@H](CN2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000352722707 176368543 /nfs/dbraw/zinc/36/85/43/176368543.db2.gz VZFXIEQOPMNQEO-HZSPNIEDSA-N 1 0 238.375 1.582 10 0 BDAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccnc2cccnc21 ZINC000341022625 176369068 /nfs/dbraw/zinc/36/90/68/176369068.db2.gz WVFARYWMUNBNSD-MNOVXSKESA-N 1 0 242.326 1.803 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])c2cccc(F)c2S1(=O)=O ZINC000035752315 176372035 /nfs/dbraw/zinc/37/20/35/176372035.db2.gz VOZOPIAYMDZRKZ-HZGVNTEJSA-N 1 0 229.276 1.391 10 0 BDAERO C[C@@H]1C[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000104423766 176392301 /nfs/dbraw/zinc/39/23/01/176392301.db2.gz QGOGOQCBGCQBPM-FRRDWIJNSA-N 1 0 238.375 1.881 10 0 BDAERO C[C@@H]1C[C@H]1C(=O)N[C@H](C[NH3+])Cc1ccccc1 ZINC000104325743 176431960 /nfs/dbraw/zinc/43/19/60/176431960.db2.gz JXJYTISRZRCEQA-KGYLQXTDSA-N 1 0 232.327 1.329 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C[C@@H]1CCCCO1 ZINC000095031766 176459009 /nfs/dbraw/zinc/45/90/09/176459009.db2.gz PMQAENQENWIMBD-SDDRHHMPSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@]([NH3+])(CO)CCc1ccc2c(c1)OCO2 ZINC000038124457 176512078 /nfs/dbraw/zinc/51/20/78/176512078.db2.gz KLBARRIYTUWOPY-LBPRGKRZSA-N 1 0 223.272 1.058 10 0 BDAERO C[C@@]([NH2+]C1CCCC1)(C(N)=O)C1CCCC1 ZINC000054081907 176513270 /nfs/dbraw/zinc/51/32/70/176513270.db2.gz LLGFSGXUYPBIIJ-ZDUSSCGKSA-N 1 0 224.348 1.953 10 0 BDAERO C[C@H](C(=O)N1CCOc2ccccc21)C1C[NH2+]C1 ZINC000164413669 176563585 /nfs/dbraw/zinc/56/35/85/176563585.db2.gz VXXMPXLTNUVPHS-JTQLQIEISA-N 1 0 246.310 1.268 10 0 BDAERO C[C@H](C(=O)[O-])[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000104411936 176583763 /nfs/dbraw/zinc/58/37/63/176583763.db2.gz JFZWJFGSAWHJPA-SNVBAGLBSA-N 1 0 242.363 1.560 10 0 BDAERO C[C@H](CC1CC1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000069668677 176613108 /nfs/dbraw/zinc/61/31/08/176613108.db2.gz ZIHWNTGCVPXGRY-USWWRNFRSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H](CCCC[NH3+])Nc1ccnc(C(N)=O)c1 ZINC000310401156 176619475 /nfs/dbraw/zinc/61/94/75/176619475.db2.gz KRTYHYOYFXUREA-SECBINFHSA-N 1 0 236.319 1.110 10 0 BDAERO C[C@H](CC[NH3+])N1C(=O)CC2(CCCC2)CC1=O ZINC000050378308 176627048 /nfs/dbraw/zinc/62/70/48/176627048.db2.gz MHIGCQRXJZPMHJ-SNVBAGLBSA-N 1 0 238.331 1.433 10 0 BDAERO C[C@H](C[NH3+])[C@H]1CS(=O)(=O)c2ccccc21 ZINC000052946737 176662717 /nfs/dbraw/zinc/66/27/17/176662717.db2.gz GOYZRIRYQJPQGO-PSASIEDQSA-N 1 0 225.313 1.152 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)OC(C)(C)C ZINC000063194452 176767294 /nfs/dbraw/zinc/76/72/94/176767294.db2.gz CBWDBQLSKKDMBI-QWRGUYRKSA-N 1 0 242.363 1.530 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1ccc(F)c(Cl)c1 ZINC000082592847 176770022 /nfs/dbraw/zinc/77/00/22/176770022.db2.gz UTWMEINUCURIIB-CDUCUWFYSA-N 1 0 203.644 1.860 10 0 BDAERO C[C@H]([NH3+])c1ccc(Sc2nnnn2C)cc1 ZINC000019873874 176776522 /nfs/dbraw/zinc/77/65/22/176776522.db2.gz UXGOZRACFGOBPK-ZETCQYMHSA-N 1 0 235.316 1.381 10 0 BDAERO C[C@H](NC(=O)C[NH2+]C1CCCC1)c1ccccn1 ZINC000037626247 176792165 /nfs/dbraw/zinc/79/21/65/176792165.db2.gz UXPAXBLGNQETOY-NSHDSACASA-N 1 0 247.342 1.791 10 0 BDAERO C[C@H](O)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336656843 176966428 /nfs/dbraw/zinc/96/64/28/176966428.db2.gz OZUSUKNCLIPNSU-DCAQKATOSA-N 1 0 203.301 1.875 10 0 BDAERO C[C@H](O)[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440258 177014316 /nfs/dbraw/zinc/01/43/16/177014316.db2.gz BQAMKGCZUHXISQ-WKEGUHRASA-N 1 0 239.706 1.607 10 0 BDAERO C[C@H](Oc1ccccc1C[NH3+])C(=O)N(C)C ZINC000020386685 177024674 /nfs/dbraw/zinc/02/46/74/177024674.db2.gz QMBUQMPSCWQZGV-VIFPVBQESA-N 1 0 222.288 1.001 10 0 BDAERO C[C@H]([C@@H]1CCCC[NH2+]1)N1C(=O)CCCC1=O ZINC000035691819 177030482 /nfs/dbraw/zinc/03/04/82/177030482.db2.gz HRAXWYMKEQADEJ-ZJUUUORDSA-N 1 0 224.304 1.056 10 0 BDAERO C[C@H]([C@H]1CC[NH2+]C1)N(C)C(=O)OC(C)(C)C ZINC000034062601 177032173 /nfs/dbraw/zinc/03/21/73/177032173.db2.gz HVVIYRKKUMDWRP-ZJUUUORDSA-N 1 0 228.336 1.851 10 0 BDAERO C[C@H](c1cccc(Cl)c1)N1CC[C@H]([NH3+])C1=O ZINC000049659900 177036725 /nfs/dbraw/zinc/03/67/25/177036725.db2.gz WCBWTZVTPQIMTL-KCJUWKMLSA-N 1 0 238.718 1.961 10 0 BDAERO C[C@H](c1ccccc1)N1C[C@H](C[NH3+])CC1=O ZINC000019669318 177040565 /nfs/dbraw/zinc/04/05/65/177040565.db2.gz MQWBTGPUOJDPOY-MNOVXSKESA-N 1 0 218.300 1.555 10 0 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BDAERO CCC[C@H](C)NC(=O)N1CC[NH2+]C[C@H]1C ZINC000668540966 487910371 /nfs/dbraw/zinc/91/03/71/487910371.db2.gz HJIQOJLDUQKFTQ-VHSXEESVSA-N 1 0 213.325 1.178 10 0 BDAERO CCC[C@H](C)NC(=O)NCC[C@@H](C)[NH3+] ZINC000668541714 487912732 /nfs/dbraw/zinc/91/27/32/487912732.db2.gz VGLHVNKOKXCFTE-BDAKNGLRSA-N 1 0 201.314 1.212 10 0 BDAERO CCC[C@@H](C)NC(=O)N1CCC[C@H]1C[NH3+] ZINC000668542008 487915005 /nfs/dbraw/zinc/91/50/05/487915005.db2.gz ZPHNYZPZYIXIIA-ZJUUUORDSA-N 1 0 213.325 1.308 10 0 BDAERO Cc1nsc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000083649004 487925450 /nfs/dbraw/zinc/92/54/50/487925450.db2.gz SZTIOXFVYNFZLC-MRVPVSSYSA-N 1 0 212.322 1.401 10 0 BDAERO CC(C)c1nsc(N[C@@H]2CC[NH2+]C2)n1 ZINC000083670302 487926113 /nfs/dbraw/zinc/92/61/13/487926113.db2.gz XTSQAEQGOYSSSF-SSDOTTSWSA-N 1 0 212.322 1.435 10 0 BDAERO CC(C)c1nsc(N2CC[C@H](C[NH3+])C2)n1 ZINC000083670273 487926214 /nfs/dbraw/zinc/92/62/14/487926214.db2.gz LPFQDJPQLWYDMJ-MRVPVSSYSA-N 1 0 226.349 1.447 10 0 BDAERO 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Cc1nnc(N2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000565882416 325966104 /nfs/dbraw/zinc/96/61/04/325966104.db2.gz ARAZSUFXPGTJAC-LLVKDONJSA-N 1 0 238.360 1.426 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000566099248 325994614 /nfs/dbraw/zinc/99/46/14/325994614.db2.gz FABSYDYQURMEBP-RUJICJSRSA-N 1 0 224.348 1.761 10 0 BDAERO CCC[C@H](C(=O)N1CC[C@@H](CC)C1)[NH+](C)C ZINC000153544881 326102121 /nfs/dbraw/zinc/10/21/21/326102121.db2.gz OEFIMJCZCCLEKO-VXGBXAGGSA-N 1 0 226.364 1.975 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)O1 ZINC000155175353 326187485 /nfs/dbraw/zinc/18/74/85/326187485.db2.gz UUTLZKCXBOWRKX-KXNHARMFSA-N 1 0 240.347 1.105 10 0 BDAERO Fc1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000567717599 326250652 /nfs/dbraw/zinc/25/06/52/326250652.db2.gz WFZBQDYTDBMRFJ-GFCCVEGCSA-N 1 0 236.294 1.196 10 0 BDAERO CCCCN(C)C(=O)[C@H](CCC)[NH+](C)C ZINC000159321102 326397272 /nfs/dbraw/zinc/39/72/72/326397272.db2.gz NPMYTIXXFQWGHV-NSHDSACASA-N 1 0 214.353 1.975 10 0 BDAERO Cc1nnc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000158752318 487974472 /nfs/dbraw/zinc/97/44/72/487974472.db2.gz DBHHRPGMFXYISB-YUMQZZPRSA-N 1 0 240.332 1.160 10 0 BDAERO CC(C)(C)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000158755917 487974517 /nfs/dbraw/zinc/97/45/17/487974517.db2.gz DLSCISCFDMOVMV-MNOVXSKESA-N 1 0 226.364 1.914 10 0 BDAERO C[C@H](C[NH2+][C@H]1CCC(=O)N[C@H]1C)C(C)(C)C ZINC000309568975 487986211 /nfs/dbraw/zinc/98/62/11/487986211.db2.gz NASHJCCXCXVFHZ-VWYCJHECSA-N 1 0 226.364 1.925 10 0 BDAERO CC1(NC(=O)C[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000229900056 487987442 /nfs/dbraw/zinc/98/74/42/487987442.db2.gz GTTPFVOICPOBTK-LLVKDONJSA-N 1 0 240.347 1.061 10 0 BDAERO C[C@H](C[NH2+]C[C@H]1CC(=O)N(C)C1)C(C)(C)C ZINC000668616746 488010234 /nfs/dbraw/zinc/01/02/34/488010234.db2.gz QIGIXRMCRWWOLY-GHMZBOCLSA-N 1 0 226.364 1.737 10 0 BDAERO CCC(CC)C[N@@H+]1CCOC[C@@H]1CO ZINC000159289622 488019510 /nfs/dbraw/zinc/01/95/10/488019510.db2.gz GFYFMWTZGWTVEA-NSHDSACASA-N 1 0 201.310 1.116 10 0 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CC1(C)CN(c2ncc(Cl)cn2)CC[C@H]1[NH3+] ZINC000261568878 535359503 /nfs/dbraw/zinc/35/95/03/535359503.db2.gz FWYFKFSVIKVCQU-SECBINFHSA-N 1 0 240.738 1.694 10 0 BDAERO CC[C@@H](C(=O)OC)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177771894 535448949 /nfs/dbraw/zinc/44/89/49/535448949.db2.gz QAAYOXLJJKTJSG-NEPJUHHUSA-N 1 0 240.347 1.108 10 0 BDAERO CCOC(=O)[C@@H](CC)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567069 535460743 /nfs/dbraw/zinc/46/07/43/535460743.db2.gz ZMRFKQWEODNRRR-MNOVXSKESA-N 1 0 242.363 1.387 10 0 BDAERO CC[NH2+]Cc1cccc(N2CCOC[C@H]2C)n1 ZINC000051443921 535479268 /nfs/dbraw/zinc/47/92/68/535479268.db2.gz YATUWWXAWNMOID-LLVKDONJSA-N 1 0 235.331 1.416 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1CC1 ZINC000177325061 535587162 /nfs/dbraw/zinc/58/71/62/535587162.db2.gz LUIAWKYYJNKLAG-LBPRGKRZSA-N 1 0 239.363 1.522 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(F)F ZINC000177561457 535587490 /nfs/dbraw/zinc/58/74/90/535587490.db2.gz HAAMTNNQVKWRMX-VIFPVBQESA-N 1 0 249.305 1.377 10 0 BDAERO 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CCOC1CC([NH2+]CCc2nc(C)no2)C1 ZINC000224422268 535760620 /nfs/dbraw/zinc/76/06/20/535760620.db2.gz IFIXQXKPDVUIQN-UHFFFAOYSA-N 1 0 225.292 1.078 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)C1 ZINC000251520366 535824676 /nfs/dbraw/zinc/82/46/76/535824676.db2.gz GHSJPKJVMLEQHH-VWYCJHECSA-N 1 0 238.331 1.302 10 0 BDAERO CCn1nccc1CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261541916 535870420 /nfs/dbraw/zinc/87/04/20/535870420.db2.gz MNRVLPBEJMMONU-YPMHNXCESA-N 1 0 236.363 1.462 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)OC ZINC000253550024 535875209 /nfs/dbraw/zinc/87/52/09/535875209.db2.gz YEOPFQIGKKBGQR-TUAOUCFPSA-N 1 0 240.347 1.107 10 0 BDAERO CN(C(=O)Cc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000085257584 536007419 /nfs/dbraw/zinc/00/74/19/536007419.db2.gz BNVWOQUBCJLPGR-UHFFFAOYSA-N 1 0 238.718 1.313 10 0 BDAERO CC[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000166225632 536083374 /nfs/dbraw/zinc/08/33/74/536083374.db2.gz NPAAHEXQUHJBMK-GRYCIOLGSA-N 1 0 224.348 1.633 10 0 BDAERO CCc1cc(N2CCC(C[NH3+])CC2)nc(CC)n1 ZINC000045954891 536145026 /nfs/dbraw/zinc/14/50/26/536145026.db2.gz OSNKZGXBZCVTLI-UHFFFAOYSA-N 1 0 248.374 1.777 10 0 BDAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CC1)CC2 ZINC000177311209 536161366 /nfs/dbraw/zinc/16/13/66/536161366.db2.gz MWHICSQLEBUDGM-KOLCDFICSA-N 1 0 234.347 1.543 10 0 BDAERO CCc1ncnc(N2CCC([NH3+])CC2)c1C ZINC000045950938 536175622 /nfs/dbraw/zinc/17/56/22/536175622.db2.gz GDOIMTIUJAOPPK-UHFFFAOYSA-N 1 0 220.320 1.275 10 0 BDAERO Nc1[nH+]ccn1C[C@H]1CCCC1(F)F ZINC000702595208 582927290 /nfs/dbraw/zinc/92/72/90/582927290.db2.gz AQRNTRYGKBFVER-SSDOTTSWSA-N 1 0 201.220 1.901 10 0 BDAERO COC1(C[N@@H+]2CCO[C@@H](C)[C@H]2C)CCC1 ZINC000336196155 536626847 /nfs/dbraw/zinc/62/68/47/536626847.db2.gz WIDZOSNEUADZMO-MNOVXSKESA-N 1 0 213.321 1.665 10 0 BDAERO COC1(C[N@@H+]2CCS[C@H](C)C2)CCC1 ZINC000336187706 536630410 /nfs/dbraw/zinc/63/04/10/536630410.db2.gz PPYAQJOLGXHHRV-SNVBAGLBSA-N 1 0 215.362 1.993 10 0 BDAERO C[C@H]1C[C@]2(CO1)[NH2+]CCc1sccc12 ZINC000401682358 537886272 /nfs/dbraw/zinc/88/62/72/537886272.db2.gz WAPXSVUZWKLJMH-GZMMTYOYSA-N 1 0 209.314 1.898 10 0 BDAERO C[C@@H]1C[C@@]2(CO1)[NH2+]CCc1sccc12 ZINC000401682360 537886043 /nfs/dbraw/zinc/88/60/43/537886043.db2.gz WAPXSVUZWKLJMH-KCJUWKMLSA-N 1 0 209.314 1.898 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000323970347 537908523 /nfs/dbraw/zinc/90/85/23/537908523.db2.gz IGQPOTGJWJIJIT-KBPBESRZSA-N 1 0 240.391 1.731 10 0 BDAERO CC1(C)CCC[C@@]2(CC(=O)O[C@H]2C[NH3+])C1 ZINC000675052934 566411914 /nfs/dbraw/zinc/41/19/14/566411914.db2.gz JFJCLYWOQHTFIQ-JOYOIKCWSA-N 1 0 211.305 1.847 10 0 BDAERO CCCC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669381107 566425877 /nfs/dbraw/zinc/42/58/77/566425877.db2.gz YAZAVHLYGPYROC-VIFPVBQESA-N 1 0 208.252 1.275 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH3+])[C@@H](F)C1 ZINC000098192911 566474668 /nfs/dbraw/zinc/47/46/68/566474668.db2.gz NBOGKMXMCRIGDG-DTWKUNHWSA-N 1 0 232.299 1.683 10 0 BDAERO C1CN2C(=[NH+]CC[C@@H]2C2CCCCC2)N1 ZINC000232472752 566491358 /nfs/dbraw/zinc/49/13/58/566491358.db2.gz KHTGASRXXVECRO-LLVKDONJSA-N 1 0 207.321 1.600 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1cccc(Cl)c1)C(N)=O ZINC000107323055 582460061 /nfs/dbraw/zinc/46/00/61/582460061.db2.gz FEZLSRBIXTVBAB-LLVKDONJSA-N 1 0 240.734 1.940 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@]2(CCCN2CC(F)F)C1 ZINC000757123565 582498172 /nfs/dbraw/zinc/49/81/72/582498172.db2.gz ADBPZDIZAIMWQF-GXSJLCMTSA-N 1 0 218.291 1.716 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(N2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000757124721 582499583 /nfs/dbraw/zinc/49/95/83/582499583.db2.gz OLWUYSFEJYABEQ-BBBLOLIVSA-N 1 0 236.319 1.196 10 0 BDAERO Cc1nc(C(=O)[C@H]2C[C@H]2C)sc1C[NH3+] ZINC000757127089 582501837 /nfs/dbraw/zinc/50/18/37/582501837.db2.gz XLYWAQAFYSSSKF-VDTYLAMSSA-N 1 0 210.302 1.749 10 0 BDAERO Cc1nc([C@H](O)C(C)(C)F)sc1C[NH3+] ZINC000757128340 582503286 /nfs/dbraw/zinc/50/32/86/582503286.db2.gz KJPATFMLSUTSCM-ZETCQYMHSA-N 1 0 218.297 1.692 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757134870 582512908 /nfs/dbraw/zinc/51/29/08/582512908.db2.gz XFELTDUEADGMFW-MCIONIFRSA-N 1 0 240.391 1.875 10 0 BDAERO FC(F)[C@@H]1CC[NH2+][C@@]2(CCSC2)O1 ZINC000757138381 582517917 /nfs/dbraw/zinc/51/79/17/582517917.db2.gz BRNVUHMZSGRYIK-XPUUQOCRSA-N 1 0 209.261 1.463 10 0 BDAERO C1CC1[C@@H]1CCO[C@]2(CN3CCC2CC3)[NH2+]1 ZINC000757139382 582519808 /nfs/dbraw/zinc/51/98/08/582519808.db2.gz GTPLKZUSLJKCTG-STQMWFEESA-N 1 0 222.332 1.197 10 0 BDAERO C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757142493 582523059 /nfs/dbraw/zinc/52/30/59/582523059.db2.gz LFQZTSFZOQCFPT-MWLCHTKSSA-N 1 0 234.290 1.442 10 0 BDAERO c1ccc(C[C@H]2CCO[C@]3(CC[NH2+]C3)N2)cc1 ZINC000757143831 582524593 /nfs/dbraw/zinc/52/45/93/582524593.db2.gz FJQDDCMVACEXAH-KGLIPLIRSA-N 1 0 232.327 1.297 10 0 BDAERO CC(C)(C)[C@H]1C[NH2+][C@@]2(CCCOC2)OC1 ZINC000757150325 582535025 /nfs/dbraw/zinc/53/50/25/582535025.db2.gz PLKFZCWOCKGTSI-JQWIXIFHSA-N 1 0 213.321 1.775 10 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Cc1ccoc1CSC[C@H](O)C[NH+](C)C ZINC000757165884 582548302 /nfs/dbraw/zinc/54/83/02/582548302.db2.gz OMFJVZZPERYWRN-SNVBAGLBSA-N 1 0 229.345 1.744 10 0 BDAERO C[C@@H]1CCN[C@H](c2cccc(N)c2)[C@@H]1[NH3+] ZINC000757218020 582562592 /nfs/dbraw/zinc/56/25/92/582562592.db2.gz USJVXNGEEJYDDB-GGZOMVNGSA-N 1 0 205.305 1.267 10 0 BDAERO CC(=O)c1cccc([C@@H]2NCCC[C@H]2[NH3+])c1 ZINC000757218574 582562799 /nfs/dbraw/zinc/56/27/99/582562799.db2.gz WPAROQATXDJGCK-OLZOCXBDSA-N 1 0 218.300 1.641 10 0 BDAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cccc(N)c2)N1 ZINC000757218736 582563305 /nfs/dbraw/zinc/56/33/05/582563305.db2.gz WVDRUXLMMLWMQN-FXAINCCUSA-N 1 0 205.305 1.409 10 0 BDAERO C[C@@H]1C[C@@H](C(=O)[O-])C[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757220279 582563373 /nfs/dbraw/zinc/56/33/73/582563373.db2.gz XYRCCCOPCOJFPN-WQAKAFBOSA-N 1 0 248.326 1.659 10 0 BDAERO C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2cncnc2)[NH2+]1 ZINC000757220282 582563563 /nfs/dbraw/zinc/56/35/63/582563563.db2.gz XYZYJPHEOKLBBJ-QCMRWSPLSA-N 1 0 220.320 1.111 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1NCC[C@@H](C)[C@@H]1[NH3+] ZINC000757230020 582563606 /nfs/dbraw/zinc/56/36/06/582563606.db2.gz FTXMMFJZSSNLLZ-ICCXJUOJSA-N 1 0 219.332 1.575 10 0 BDAERO Cc1ccncc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400490100 582579456 /nfs/dbraw/zinc/57/94/56/582579456.db2.gz CARNNUQNSHALDF-NSHDSACASA-N 1 0 214.272 1.348 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1O ZINC000324487816 582584363 /nfs/dbraw/zinc/58/43/63/582584363.db2.gz KTMKUEHMDKEYND-DCAQKATOSA-N 1 0 215.337 1.287 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@H]2c2ccncc2)N1 ZINC000235695512 582603336 /nfs/dbraw/zinc/60/33/36/582603336.db2.gz WJDDQTZWMKWWTP-ONGXEEELSA-N 1 0 216.288 1.176 10 0 BDAERO Cc1cn2c([nH+]1)N[C@@H]([C@@H]1CCCO1)CC2 ZINC000236044497 582636895 /nfs/dbraw/zinc/63/68/95/582636895.db2.gz OZKXMWRZORLMKE-ZJUUUORDSA-N 1 0 207.277 1.555 10 0 BDAERO Cc1cn2c([nH+]1)N[C@H]([C@@H]1CCCO1)CC2 ZINC000236043857 582637753 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592508507 /nfs/dbraw/zinc/50/85/07/592508507.db2.gz HZCOIGDHRLTYNL-AXFHLTTASA-N 1 0 244.404 1.760 10 0 BDAERO Cc1nc(-c2noc(C[C@@H]([NH3+])C(C)C)n2)co1 ZINC000302510708 592549706 /nfs/dbraw/zinc/54/97/06/592549706.db2.gz BYFAYCPUUZHCAP-MRVPVSSYSA-N 1 0 236.275 1.559 10 0 BDAERO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ncc[nH]1 ZINC000124791696 634434638 /nfs/dbraw/zinc/43/46/38/634434638.db2.gz FTUXYXPVEUPIQI-AEJSXWLSSA-N 1 0 208.309 1.188 10 0 BDAERO CCc1cc(N2CC[C@@H](CC[NH3+])C2)nc(C)n1 ZINC000125507030 634524864 /nfs/dbraw/zinc/52/48/64/634524864.db2.gz VVFIEFWBFHFZBP-LLVKDONJSA-N 1 0 234.347 1.523 10 0 BDAERO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC000336770976 635287601 /nfs/dbraw/zinc/28/76/01/635287601.db2.gz XEYUFICTLYEZJK-HBNTYKKESA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000336777379 635288668 /nfs/dbraw/zinc/28/86/68/635288668.db2.gz IHAFRPZKABHZBR-DTWKUNHWSA-N 1 0 243.376 1.064 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)c1ccc(C)cc1 ZINC000054076869 635344138 /nfs/dbraw/zinc/34/41/38/635344138.db2.gz FUCAXFFZWUWQLM-SNVBAGLBSA-N 1 0 206.289 1.566 10 0 BDAERO CC1(C)C[C@@H]1c1noc([C@@]2(C)CC[NH2+]C2)n1 ZINC000225476496 635407375 /nfs/dbraw/zinc/40/73/75/635407375.db2.gz LTZMBECFQZYNIJ-PELKAZGASA-N 1 0 221.304 1.834 10 0 BDAERO CC1(C)C[C@@H]1c1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000232883643 635518853 /nfs/dbraw/zinc/51/88/53/635518853.db2.gz SUNDOXNMZZCOPS-RKDXNWHRSA-N 1 0 221.304 1.735 10 0 BDAERO CN(C)c1nccc(NCCCCCC[NH3+])n1 ZINC000234289331 635550824 /nfs/dbraw/zinc/55/08/24/635550824.db2.gz NRHFGRQPZPFOCL-UHFFFAOYSA-N 1 0 237.351 1.474 10 0 BDAERO COC1CC([NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000308253391 631219406 /nfs/dbraw/zinc/21/94/06/631219406.db2.gz HEMQLPZBUIWXAJ-BMNUFHGDSA-N 1 0 201.335 1.647 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cncs1 ZINC000222687826 631251797 /nfs/dbraw/zinc/25/17/97/631251797.db2.gz QROPUBWJNHITOE-IWSPIJDZSA-N 1 0 212.318 1.971 10 0 BDAERO Cc1ccc(-c2noc(C[C@@H](C)[NH3+])n2)s1 ZINC000257901003 631300689 /nfs/dbraw/zinc/30/06/89/631300689.db2.gz DNJNWUPUTDWCJK-ZCFIWIBFSA-N 1 0 223.301 1.996 10 0 BDAERO CC(C)(C)Cc1noc(CC[NH2+]C2CC2)n1 ZINC000082673324 631410650 /nfs/dbraw/zinc/41/06/50/631410650.db2.gz ZQDMSVIWVVTKBB-UHFFFAOYSA-N 1 0 223.320 1.953 10 0 BDAERO Cc1cccc(C(=O)NCC2CC([NH3+])C2)c1C ZINC000091538464 631541272 /nfs/dbraw/zinc/54/12/72/631541272.db2.gz XEBVAUOKWNUGLH-UHFFFAOYSA-N 1 0 232.327 1.771 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNC(=O)O2)o1 ZINC000291547107 631740574 /nfs/dbraw/zinc/74/05/74/631740574.db2.gz AHVCKJLKAQIESE-DTWKUNHWSA-N 1 0 224.260 1.347 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)C1CCCC1 ZINC000309006076 631799705 /nfs/dbraw/zinc/79/97/05/631799705.db2.gz PVWCRPNMOVVJHK-SCZZXKLOSA-N 1 0 212.293 1.263 10 0 BDAERO C[NH2+]CCc1noc(CCc2ccccc2C)n1 ZINC000051986481 632039208 /nfs/dbraw/zinc/03/92/08/632039208.db2.gz FAANZUCZMCMOMH-UHFFFAOYSA-N 1 0 245.326 1.925 10 0 BDAERO CCN1CCO[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000092052563 632087551 /nfs/dbraw/zinc/08/75/51/632087551.db2.gz XOJOFQFACWKUOL-UONOGXRCSA-N 1 0 238.375 1.653 10 0 BDAERO C[C@H](C[NH3+])c1noc(-c2ccncc2)n1 ZINC000054158724 635776370 /nfs/dbraw/zinc/77/63/70/635776370.db2.gz SJBCRPLTYORPFJ-SSDOTTSWSA-N 1 0 204.233 1.194 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2CC2(C)C)no1 ZINC000235271941 632599164 /nfs/dbraw/zinc/59/91/64/632599164.db2.gz SXUQAWFFBCJFCV-IWSPIJDZSA-N 1 0 221.304 1.906 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@@H]1[NH3+] ZINC000309116268 632641083 /nfs/dbraw/zinc/64/10/83/632641083.db2.gz VRVYPIZSSRTQSN-KGASVMDVSA-N 1 0 220.272 1.098 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](C)OC ZINC000177033193 632690747 /nfs/dbraw/zinc/69/07/47/632690747.db2.gz LSZVWGATMAAODD-VXGBXAGGSA-N 1 0 242.363 1.354 10 0 BDAERO COCc1nc(C[NH2+][C@@H](C)C[C@@H](C)O)cs1 ZINC000309835407 632854082 /nfs/dbraw/zinc/85/40/82/632854082.db2.gz AUMCQPIKFGGZPD-DTWKUNHWSA-N 1 0 244.360 1.539 10 0 BDAERO COC(=O)CC(C)(C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309443664 633078818 /nfs/dbraw/zinc/07/88/18/633078818.db2.gz JFXIJGQFSQNHJI-SECBINFHSA-N 1 0 231.336 1.325 10 0 BDAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc[nH]1 ZINC000165413502 633091370 /nfs/dbraw/zinc/09/13/70/633091370.db2.gz FGTPZDNIQCSNEM-ZYHUDNBSSA-N 1 0 223.320 1.560 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(C)ccc1C ZINC000166473112 633113537 /nfs/dbraw/zinc/11/35/37/633113537.db2.gz AEIMPTGZLSFHRU-CHWSQXEVSA-N 1 0 233.311 1.779 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C)c1C ZINC000166505204 633115619 /nfs/dbraw/zinc/11/56/19/633115619.db2.gz HLZYAAOPKQCYNB-OLZOCXBDSA-N 1 0 233.311 1.779 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)c(C)c1 ZINC000166504313 633115975 /nfs/dbraw/zinc/11/59/75/633115975.db2.gz DTVZAOWRBBFCHK-OLZOCXBDSA-N 1 0 233.311 1.779 10 0 BDAERO Cc1cnc(-c2noc(C[C@@H]([NH3+])C(C)C)n2)nc1 ZINC000167454390 633129457 /nfs/dbraw/zinc/12/94/57/633129457.db2.gz KAOULZWOKSHGHW-SECBINFHSA-N 1 0 247.302 1.361 10 0 BDAERO Brc1cnc([C@H]2CC[NH2+]C2)nc1 ZINC000147440769 635921819 /nfs/dbraw/zinc/92/18/19/635921819.db2.gz NJRVMGMEUZMQJE-LURJTMIESA-N 1 0 228.093 1.316 10 0 BDAERO Cn1ncc(Cl)c1-c1ncc(C[NH3+])s1 ZINC000307001639 635978964 /nfs/dbraw/zinc/97/89/64/635978964.db2.gz DZDBHMOLOOQBBT-UHFFFAOYSA-N 1 0 228.708 1.656 10 0 BDAERO CN(c1cncc(Cl)n1)C1CC([NH3+])C1 ZINC000307608342 635990743 /nfs/dbraw/zinc/99/07/43/635990743.db2.gz GPLAVJCCUUGEOJ-UHFFFAOYSA-N 1 0 212.684 1.056 10 0 BDAERO C[C@@H](O)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000164565424 635995650 /nfs/dbraw/zinc/99/56/50/635995650.db2.gz HDFGQSNOUGFZGZ-NWDGAFQWSA-N 1 0 207.317 1.978 10 0 BDAERO CC[N@@H+]1CC[C@@]2(C1)C[C@@H](O)c1ccccc1O2 ZINC000328170690 633740650 /nfs/dbraw/zinc/74/06/50/633740650.db2.gz KATUXEITHPHPTB-OCCSQVGLSA-N 1 0 233.311 1.967 10 0 BDAERO CCc1nc(CC[NH2+][C@H]2CC[C@H]2C)no1 ZINC000309028365 633844190 /nfs/dbraw/zinc/84/41/90/633844190.db2.gz CDUWNMXPYHFZPB-BDAKNGLRSA-N 1 0 209.293 1.563 10 0 BDAERO C[C@H]1CCCC[C@H]1OCC[NH2+]C(C)(C)CO ZINC000309774721 634005978 /nfs/dbraw/zinc/00/59/78/634005978.db2.gz LKOQTEAQMSTZPE-NWDGAFQWSA-N 1 0 229.364 1.942 10 0 BDAERO CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)O)n1 ZINC000309975132 634008959 /nfs/dbraw/zinc/00/89/59/634008959.db2.gz SFDSOIARADXCJR-UWVGGRQHSA-N 1 0 224.304 1.339 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)NC[C@H](C)[NH3+] ZINC000194847528 634338254 /nfs/dbraw/zinc/33/82/54/634338254.db2.gz YZSUNJMTSWXWNU-MNOVXSKESA-N 1 0 220.316 1.329 10 0 BDAERO Cc1cccc(NC(=O)C2CC([NH3+])C2)c1 ZINC000258684740 635187305 /nfs/dbraw/zinc/18/73/05/635187305.db2.gz IOQQGVWPXRRSII-UHFFFAOYSA-N 1 0 204.273 1.671 10 0 BDAERO CC(=O)c1cccc(NC(=O)C2CC([NH3+])C2)c1 ZINC000258678773 635187604 /nfs/dbraw/zinc/18/76/04/635187604.db2.gz IFIFZJXFZQIPBU-UHFFFAOYSA-N 1 0 232.283 1.565 10 0 BDAERO COC1CC([NH2+]Cc2oc(C)nc2C)C1 ZINC000311976775 635238902 /nfs/dbraw/zinc/23/89/02/635238902.db2.gz CFTIIXHJRKDZOY-UHFFFAOYSA-N 1 0 210.277 1.558 10 0 BDAERO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@H](C)O ZINC000336742178 635255994 /nfs/dbraw/zinc/25/59/94/635255994.db2.gz NWGJYSLEWCAVGK-ONGXEEELSA-N 1 0 225.336 1.631 10 0 BDAERO CC(C)[N@H+]1C[C@H](NCc2c[nH]cn2)[C@@H](C)C1 ZINC000165868997 635265048 /nfs/dbraw/zinc/26/50/48/635265048.db2.gz WMTPGFCANMVCTF-JQWIXIFHSA-N 1 0 222.336 1.228 10 0 BDAERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)n1ccnc1 ZINC000219313903 635275750 /nfs/dbraw/zinc/27/57/50/635275750.db2.gz PLXBMPYFVGISHC-QWRGUYRKSA-N 1 0 234.303 1.068 10 0 BDAERO Cc1ccncc1CCC[NH2+][C@H](C)[C@H](C)O ZINC000336781714 635282824 /nfs/dbraw/zinc/28/28/24/635282824.db2.gz VJIMQEKLBJFVHC-NEPJUHHUSA-N 1 0 222.332 1.682 10 0 BDAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@H](C)O ZINC000336776470 635286711 /nfs/dbraw/zinc/28/67/11/635286711.db2.gz FXNZXZRWIRQGQO-BBBLOLIVSA-N 1 0 231.336 1.466 10 0 BDAERO CSCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000158807643 635754157 /nfs/dbraw/zinc/75/41/57/635754157.db2.gz CPIRWFQMWDBVRF-KXUCPTDWSA-N 1 0 230.377 1.100 10 0 BDAERO CC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000669372350 636548788 /nfs/dbraw/zinc/54/87/88/636548788.db2.gz MWIXTRMIUORDHB-RNFRBKRXSA-N 1 0 236.237 1.053 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179120831 636677626 /nfs/dbraw/zinc/67/76/26/636677626.db2.gz NLVWDSSVPSOULH-OCCSQVGLSA-N 1 0 246.354 1.686 10 0 BDAERO c1cnc2c(c1)ccnc2N1CC[NH2+]CC1 ZINC000148995216 637885959 /nfs/dbraw/zinc/88/59/59/637885959.db2.gz GTFISRRQNIZZOJ-UHFFFAOYSA-N 1 0 214.272 1.039 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc[nH]1 ZINC000164261165 637973438 /nfs/dbraw/zinc/97/34/38/637973438.db2.gz HWBWFNRGHOIVPQ-GXSJLCMTSA-N 1 0 209.293 1.050 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2cc(F)ncn2)C1 ZINC000150024430 639244876 /nfs/dbraw/zinc/24/48/76/639244876.db2.gz QDNCARINWXBXKP-SECBINFHSA-N 1 0 224.283 1.512 10 0 BDAERO C[C@@H]1COCCN1C(=O)CCCCCC[NH3+] ZINC000035776490 639923649 /nfs/dbraw/zinc/92/36/49/639923649.db2.gz GDSWHGYSWFLHLQ-LLVKDONJSA-N 1 0 228.336 1.143 10 0 BDAERO CCCc1nc(C2CC[NH2+]CC2)n(C)n1 ZINC000054697426 640302776 /nfs/dbraw/zinc/30/27/76/640302776.db2.gz AXNFVILIOANNDK-UHFFFAOYSA-N 1 0 208.309 1.235 10 0 BDAERO CCCc1nc(C2CCC([NH3+])CC2)n(C)n1 ZINC000054697299 640304205 /nfs/dbraw/zinc/30/42/05/640304205.db2.gz OEYFIQCBQXNNMF-UHFFFAOYSA-N 1 0 222.336 1.753 10 0 BDAERO C[NH2+][C@@H](C)c1nc(-c2cccs2)nn1C ZINC000054699713 640320576 /nfs/dbraw/zinc/32/05/76/640320576.db2.gz XQKWZQBHULTGBA-ZETCQYMHSA-N 1 0 222.317 1.824 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(C2CCCCC2)nn1C ZINC000054699464 640321135 /nfs/dbraw/zinc/32/11/35/640321135.db2.gz JMDYTJIMGAIVTQ-SECBINFHSA-N 1 0 222.336 1.753 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCSC(F)(F)F)C1 ZINC000164367672 640472892 /nfs/dbraw/zinc/47/28/92/640472892.db2.gz NCOPISHLTMIGKY-QMMMGPOBSA-N 1 0 243.294 1.944 10 0 BDAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)CO ZINC000156756860 640497675 /nfs/dbraw/zinc/49/76/75/640497675.db2.gz BCCARXLMMMPDLN-JSGCOSHPSA-N 1 0 249.354 1.643 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1OC ZINC000166601900 640655984 /nfs/dbraw/zinc/65/59/84/640655984.db2.gz RUWDGQZVKIHZMF-NWDGAFQWSA-N 1 0 249.310 1.561 10 0 BDAERO CO[C@@H](C)CCc1nc([C@H](C)C[NH3+])no1 ZINC000166806722 640678671 /nfs/dbraw/zinc/67/86/71/640678671.db2.gz KHUDYWFMNXABRP-SFYZADRCSA-N 1 0 213.281 1.099 10 0 BDAERO Cn1nc(C(C)(C)C)nc1[C@H]([NH3+])C1CC1 ZINC000054698514 640711201 /nfs/dbraw/zinc/71/12/01/640711201.db2.gz FHHAJVOWGWRAKQ-MRVPVSSYSA-N 1 0 208.309 1.522 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)N1CCCCC1 ZINC000226228686 640740084 /nfs/dbraw/zinc/74/00/84/640740084.db2.gz ZIPXSSOWSUOYKM-BFHYXJOUSA-N 1 0 240.391 1.754 10 0 BDAERO CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226816812 640794101 /nfs/dbraw/zinc/79/41/01/640794101.db2.gz SJSIMBWTVFTPAZ-UTUOFQBUSA-N 1 0 242.363 1.042 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccnc21 ZINC000226823485 640795825 /nfs/dbraw/zinc/79/58/25/640795825.db2.gz IRAWQTYCTQABFA-JHJVBQTASA-N 1 0 232.327 1.820 10 0 BDAERO CSC(C)(C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000158263957 640825304 /nfs/dbraw/zinc/82/53/04/640825304.db2.gz OJFRRICQYBKQHY-DTWKUNHWSA-N 1 0 230.377 1.372 10 0 BDAERO CO[C@H](c1noc(CCC(C)(C)[NH3+])n1)C1CC1 ZINC000227331541 640827154 /nfs/dbraw/zinc/82/71/54/640827154.db2.gz UJMMFDKDANQCIK-JTQLQIEISA-N 1 0 239.319 1.837 10 0 BDAERO CO[C@H](c1noc(C[NH2+]CC2CC2)n1)C1CC1 ZINC000227330249 640827444 /nfs/dbraw/zinc/82/74/44/640827444.db2.gz GCVOEINMRHXYLO-NSHDSACASA-N 1 0 237.303 1.667 10 0 BDAERO CN(C)c1nccc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000227642703 640843151 /nfs/dbraw/zinc/84/31/51/640843151.db2.gz KRGXKSPLDIDEHG-ZJUUUORDSA-N 1 0 235.335 1.082 10 0 BDAERO COc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)ncn1 ZINC000227646979 640843686 /nfs/dbraw/zinc/84/36/86/640843686.db2.gz MFOWSRKMMRMFJQ-BDAKNGLRSA-N 1 0 222.292 1.025 10 0 BDAERO CC(C)C[C@H](O)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000227695675 640845835 /nfs/dbraw/zinc/84/58/35/640845835.db2.gz JFLLADCTFKILNG-AAEUAGOBSA-N 1 0 242.363 1.042 10 0 BDAERO C[C@H]1OCC[C@@]1(O)C[NH2+]CCc1ccccc1 ZINC000228095191 640860636 /nfs/dbraw/zinc/86/06/36/640860636.db2.gz ZOFYQSHYKOWNGY-TZMCWYRMSA-N 1 0 235.327 1.359 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ncnc2c1CCCC2 ZINC000087308401 640869012 /nfs/dbraw/zinc/86/90/12/640869012.db2.gz BQSNITMKWJRPNL-SECBINFHSA-N 1 0 220.320 1.139 10 0 BDAERO CCCCOCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228698638 640890623 /nfs/dbraw/zinc/89/06/23/640890623.db2.gz YOHVJYRBQBJLFH-NEPJUHHUSA-N 1 0 243.347 1.544 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@@H](C)C2 ZINC000229222539 640933839 /nfs/dbraw/zinc/93/38/39/640933839.db2.gz NZGJNLFCZLUULG-NTZNESFSSA-N 1 0 225.332 1.965 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@]12CCC(C)(C)C2 ZINC000229218537 640934182 /nfs/dbraw/zinc/93/41/82/640934182.db2.gz NXHPVZZPDDFYQK-MFKMUULPSA-N 1 0 225.332 1.965 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2cscn2)no1 ZINC000087596484 640937603 /nfs/dbraw/zinc/93/76/03/640937603.db2.gz UYNZTQQRVVXLPU-ZETCQYMHSA-N 1 0 238.316 1.719 10 0 BDAERO CCCn1nnc(C[NH3+])c1C(F)(F)F ZINC000062290026 641034087 /nfs/dbraw/zinc/03/40/87/641034087.db2.gz ITUMVCGEGDGLCS-UHFFFAOYSA-N 1 0 208.187 1.166 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](CCC(C)(C)OC)C[C@@H]1C ZINC000230416005 641054381 /nfs/dbraw/zinc/05/43/81/641054381.db2.gz ULBMXEPNNBPKTJ-WDEREUQCSA-N 1 0 243.347 1.542 10 0 BDAERO COC1CC([NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000230690501 641086171 /nfs/dbraw/zinc/08/61/71/641086171.db2.gz PAJQSFMKCSUNRC-UHFFFAOYSA-N 1 0 223.320 1.731 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ncc(C)cn1 ZINC000063049363 641124615 /nfs/dbraw/zinc/12/46/15/641124615.db2.gz RRRJFUKLWHWNMD-LLVKDONJSA-N 1 0 220.320 1.363 10 0 BDAERO c1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)co1 ZINC000063084615 641128131 /nfs/dbraw/zinc/12/81/31/641128131.db2.gz HGWYLVGILRGKMZ-SECBINFHSA-N 1 0 233.271 1.872 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1CCCO1 ZINC000063195916 641144125 /nfs/dbraw/zinc/14/41/25/641144125.db2.gz SKQHSJQDLMYKCU-SDDRHHMPSA-N 1 0 212.337 1.367 10 0 BDAERO CC(C)CC(C[NH3+])(CC(C)C)OCCO ZINC000232531707 641296100 /nfs/dbraw/zinc/29/61/00/641296100.db2.gz FXOXLXKMNPZVHX-UHFFFAOYSA-N 1 0 217.353 1.785 10 0 BDAERO c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCSC1 ZINC000128320157 641425992 /nfs/dbraw/zinc/42/59/92/641425992.db2.gz ZKKAPTPXOISOBM-VHSXEESVSA-N 1 0 238.360 1.598 10 0 BDAERO Clc1cccc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000045949603 641618467 /nfs/dbraw/zinc/61/84/67/641618467.db2.gz WPQLOCRGEHBSGP-MRVPVSSYSA-N 1 0 211.696 1.899 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226750647 641724605 /nfs/dbraw/zinc/72/46/05/641724605.db2.gz DLQUARBWVGILGA-GMTAPVOTSA-N 1 0 212.337 1.665 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000189122669 641788242 /nfs/dbraw/zinc/78/82/42/641788242.db2.gz SAWDYQITYKIKPM-RYUDHWBXSA-N 1 0 238.306 1.861 10 0 BDAERO CCON1CCC([NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000324432986 641832574 /nfs/dbraw/zinc/83/25/74/641832574.db2.gz BVSFTWJZJAMFQO-LBPRGKRZSA-N 1 0 244.379 1.399 10 0 BDAERO CCCCCCC(=O)NC[C@H](C)[NH2+]C ZINC000232907243 642287026 /nfs/dbraw/zinc/28/70/26/642287026.db2.gz VGNRBOKGENINNB-JTQLQIEISA-N 1 0 200.326 1.681 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]2c3cccn3CCN12 ZINC000409434529 642336514 /nfs/dbraw/zinc/33/65/14/642336514.db2.gz XTEOLIBZDIMGCF-JQWIXIFHSA-N 1 0 205.305 1.356 10 0 BDAERO C[NH+](C)[C@H]1CCN(Cn2cc(Cl)cn2)C1 ZINC000170842520 642697447 /nfs/dbraw/zinc/69/74/47/642697447.db2.gz BIMCZCVTRSULFC-JTQLQIEISA-N 1 0 228.727 1.130 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cn2cc(Cl)cn2)C1 ZINC000170842518 642697499 /nfs/dbraw/zinc/69/74/99/642697499.db2.gz BIMCZCVTRSULFC-SNVBAGLBSA-N 1 0 228.727 1.130 10 0 BDAERO C/C=C\C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661744 642891836 /nfs/dbraw/zinc/89/18/36/642891836.db2.gz OVIJQMMWDYFWMY-FVLQNALFSA-N 1 0 222.332 1.648 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccoc2)no1 ZINC000069946065 642942203 /nfs/dbraw/zinc/94/22/03/642942203.db2.gz OQUQIJQAFMYACL-VXNVDRBHSA-N 1 0 219.244 1.653 10 0 BDAERO CSCCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000070004572 642949828 /nfs/dbraw/zinc/94/98/28/642949828.db2.gz PHZBWHSUAZGOHI-VIFPVBQESA-N 1 0 241.360 1.517 10 0 BDAERO CCN(c1ncnc2sccc21)[C@@H]1CC[NH2+]C1 ZINC000071314326 643124750 /nfs/dbraw/zinc/12/47/50/643124750.db2.gz ZTHPYWAFYCTFAW-SECBINFHSA-N 1 0 248.355 1.880 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000071373073 643134900 /nfs/dbraw/zinc/13/49/00/643134900.db2.gz GZOSZBFGYZNFBA-CHWSQXEVSA-N 1 0 245.326 1.727 10 0 BDAERO C[C@H]1CN(CC(F)(F)C(F)F)C[C@@H]1[NH3+] ZINC000306649840 643211116 /nfs/dbraw/zinc/21/11/16/643211116.db2.gz CWSDCQGDBLACMU-WDSKDSINSA-N 1 0 214.206 1.166 10 0 BDAERO C1CC1[C@@H]1CC[NH2+][C@@]2(CN3CCC2CC3)O1 ZINC000757142151 643302893 /nfs/dbraw/zinc/30/28/93/643302893.db2.gz CTGGMFOSMBHPDO-STQMWFEESA-N 1 0 222.332 1.197 10 0 BDAERO CCN(CC)S(=O)(=O)C[C@H]([NH3+])C1CCCC1 ZINC000757151937 643343116 /nfs/dbraw/zinc/34/31/16/643343116.db2.gz PRGVYANEOVCRLM-NSHDSACASA-N 1 0 248.392 1.176 10 0 BDAERO C[C@H]([NH3+])CN(C)c1cccc(C(F)(F)F)n1 ZINC000082592714 643351545 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644732652 /nfs/dbraw/zinc/73/26/52/644732652.db2.gz KNUOFGKKSKVVTI-NSHDSACASA-N 1 0 246.358 1.531 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1sccc1Cl ZINC000095638411 644761889 /nfs/dbraw/zinc/76/18/89/644761889.db2.gz KYJCWVQSJOXXOR-LURJTMIESA-N 1 0 219.693 1.964 10 0 BDAERO C[C@@H](C1CC1)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251626707 644813595 /nfs/dbraw/zinc/81/35/95/644813595.db2.gz QWSVKDSGWRYJJJ-AAEUAGOBSA-N 1 0 208.349 1.955 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)[C@H]1OC ZINC000252790571 644906876 /nfs/dbraw/zinc/90/68/76/644906876.db2.gz SONCOXSLFFXQPJ-KSSYENDESA-N 1 0 243.347 1.072 10 0 BDAERO Clc1cncc(N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000304509770 644910490 /nfs/dbraw/zinc/91/04/90/644910490.db2.gz JLEXYPKRZWBWDS-NSHDSACASA-N 1 0 238.722 1.320 10 0 BDAERO C(Cc1nc(CC2CCC2)no1)[NH2+]C1CC1 ZINC000304636729 644921402 /nfs/dbraw/zinc/92/14/02/644921402.db2.gz RMERDCRWOPARJM-UHFFFAOYSA-N 1 0 221.304 1.707 10 0 BDAERO C[C@@H]1CCC(=O)CN1CC[C@H]1CCCO1 ZINC000725643623 711668495 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712311708 /nfs/dbraw/zinc/31/17/08/712311708.db2.gz JOUHGHDWOXEZES-IONNQARKSA-N 1 0 236.237 1.340 10 0 BDAERO COC1CC([NH2+][C@H](C)[C@@]2(C)CCCO2)C1 ZINC000378778733 712360350 /nfs/dbraw/zinc/36/03/50/712360350.db2.gz IQCJMFIOVAVAGU-HBIQZDMRSA-N 1 0 213.321 1.711 10 0 BDAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(C(C)C)no2)C1 ZINC000702730087 712364708 /nfs/dbraw/zinc/36/47/08/712364708.db2.gz BRXBHRLAEDSBTG-GZMMTYOYSA-N 1 0 225.292 1.417 10 0 BDAERO C[C@H]1C[N@H+](CCCOC(F)(F)F)C[C@@H]1C[NH3+] ZINC000713414780 712459213 /nfs/dbraw/zinc/45/92/13/712459213.db2.gz HPSFGCGKQXFYRB-IUCAKERBSA-N 1 0 240.269 1.440 10 0 BDAERO CCCCCCNC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713872773 712473327 /nfs/dbraw/zinc/47/33/27/712473327.db2.gz OOOYYENQHYOLIM-MNOVXSKESA-N 1 0 228.336 1.047 10 0 BDAERO COCC1CC([NH2+][C@@H](C)c2nccnc2C)C1 ZINC000713934968 712473551 /nfs/dbraw/zinc/47/35/51/712473551.db2.gz HRILXJGZSRFWRE-UNXYVOJBSA-N 1 0 235.331 1.861 10 0 BDAERO CCCn1nccc1C[NH2+]C1CC(COC)C1 ZINC000713942165 712474177 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[NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1ncc(Cl)cn1)C2 ZINC000709801821 712227389 /nfs/dbraw/zinc/22/73/89/712227389.db2.gz ZBTNPGJHIAVDMM-HGNGGELXSA-N 1 0 238.722 1.446 10 0 BDAERO CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000710061901 712244099 /nfs/dbraw/zinc/24/40/99/712244099.db2.gz NMTOEGYQQRPUIE-JQWIXIFHSA-N 1 0 246.310 1.234 10 0 BDAERO COC1(OC)CC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000710931049 712265933 /nfs/dbraw/zinc/26/59/33/712265933.db2.gz GTEYXFNDUAQOJY-QWRGUYRKSA-N 1 0 229.320 1.297 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC1(OC)OC ZINC000710956327 712267877 /nfs/dbraw/zinc/26/78/77/712267877.db2.gz FGHYWFJYAYQWLS-OUAUKWLOSA-N 1 0 213.321 1.916 10 0 BDAERO COC1(OC)CC[C@@H]1[NH2+]C1CC(SC)C1 ZINC000710994854 712273770 /nfs/dbraw/zinc/27/37/70/712273770.db2.gz LYXSNUCZBRYXLK-RTBKNWGFSA-N 1 0 231.361 1.622 10 0 BDAERO CC1CC(C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000711609581 712313061 /nfs/dbraw/zinc/31/30/61/712313061.db2.gz YCCLVSLGNMHXTG-FFJHZOIPSA-N 1 0 222.332 1.433 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@H]12 ZINC000711963627 712339420 /nfs/dbraw/zinc/33/94/20/712339420.db2.gz NDIPYCDANPJREB-IKOXMDCHSA-N 1 0 248.370 1.618 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1CCC1CCCC1 ZINC000378791014 712362104 /nfs/dbraw/zinc/36/21/04/712362104.db2.gz NMOHAXNIWUMAFG-RYUDHWBXSA-N 1 0 214.328 1.938 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)C1CCCC1 ZINC000378809255 712362721 /nfs/dbraw/zinc/36/27/21/712362721.db2.gz YYIPZZDLTHMWJS-UWVGGRQHSA-N 1 0 214.284 1.074 10 0 BDAERO CN1CC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000712557947 712446061 /nfs/dbraw/zinc/44/60/61/712446061.db2.gz OYBAKVVHIMTZLB-KXNHARMFSA-N 1 0 224.348 1.094 10 0 BDAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000712992538 712450653 /nfs/dbraw/zinc/45/06/53/712450653.db2.gz YFMFEUKAGBGKSY-MXWKQRLJSA-N 1 0 242.363 1.290 10 0 BDAERO C[C@@H]1CN(Cc2scnc2Cl)C[C@@H]1C[NH3+] ZINC000713501974 712463889 /nfs/dbraw/zinc/46/38/89/712463889.db2.gz SJHMWEBVRNTKEE-SFYZADRCSA-N 1 0 245.779 1.823 10 0 BDAERO C[C@@H]1CN(C[C@H]2CCC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000713592136 712466060 /nfs/dbraw/zinc/46/60/60/712466060.db2.gz MFEFJFAFMVDJRN-UTUOFQBUSA-N 1 0 226.364 1.471 10 0 BDAERO Cc1cc(C)cc(NC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)c1 ZINC000713777966 712472301 /nfs/dbraw/zinc/47/23/01/712472301.db2.gz CMHIGQJHNIFDHL-WCQYABFASA-N 1 0 248.326 1.606 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000713780300 712472338 /nfs/dbraw/zinc/47/23/38/712472338.db2.gz HTBPWDZLTZEEAL-WCFLWFBJSA-N 1 0 248.326 1.228 10 0 BDAERO Cc1ccc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)cc1 ZINC000713792435 712472353 /nfs/dbraw/zinc/47/23/53/712472353.db2.gz JCFFUYKESCUWQN-JQWIXIFHSA-N 1 0 234.299 1.297 10 0 BDAERO CCc1cccc(NC(=O)[C@@H]2CO[C@H](C[NH3+])C2)c1 ZINC000713784220 712472562 /nfs/dbraw/zinc/47/25/62/712472562.db2.gz RRYPSSNHEUEPFU-AAEUAGOBSA-N 1 0 248.326 1.551 10 0 BDAERO COCC1CC([NH2+]Cc2nc(C)ccc2O)C1 ZINC000713935304 712474108 /nfs/dbraw/zinc/47/41/08/712474108.db2.gz KOPYFXBHFOUYSE-UHFFFAOYSA-N 1 0 236.315 1.610 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCCN[C@@H]2C)C1 ZINC000713976392 712475671 /nfs/dbraw/zinc/47/56/71/712475671.db2.gz FJQPJWPNDMHTTK-HBIQZDMRSA-N 1 0 212.337 1.142 10 0 BDAERO COCC1CC([NH2+]Cc2cscn2)C1 ZINC000713983404 712476003 /nfs/dbraw/zinc/47/60/03/712476003.db2.gz AUXCKUBUZGEDRM-UHFFFAOYSA-N 1 0 212.318 1.658 10 0 BDAERO COCC1CC([NH2+]Cc2nccn2C(C)C)C1 ZINC000713985266 712476630 /nfs/dbraw/zinc/47/66/30/712476630.db2.gz YRQJKRPKAUHXET-UHFFFAOYSA-N 1 0 237.347 1.979 10 0 BDAERO COCC1CC([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000714008710 712477428 /nfs/dbraw/zinc/47/74/28/712477428.db2.gz MQQYTCSBIMIMJB-XKGSQUFQSA-N 1 0 213.321 1.569 10 0 BDAERO COCC1CC([NH2+]Cc2cc(C)no2)C1 ZINC000713995754 712476997 /nfs/dbraw/zinc/47/69/97/712476997.db2.gz MWBOUUYOAOYGNJ-UHFFFAOYSA-N 1 0 210.277 1.498 10 0 BDAERO COC[C@@H]([NH2+]C1CC(COC)C1)C(C)C ZINC000714010478 712477316 /nfs/dbraw/zinc/47/73/16/712477316.db2.gz WMONDICTMGVLRM-HTAVTVPLSA-N 1 0 215.337 1.672 10 0 BDAERO COCC1CC([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000714008717 712477466 /nfs/dbraw/zinc/47/74/66/712477466.db2.gz MQQYTCSBIMIMJB-YYJSSNLHSA-N 1 0 213.321 1.569 10 0 BDAERO O=C(C[C@@H]1CCCC1(F)F)N[C@@H]1CC[NH2+]C1 ZINC000714022069 712477467 /nfs/dbraw/zinc/47/74/67/712477467.db2.gz OZWMEKPJLVGERS-DTWKUNHWSA-N 1 0 232.274 1.290 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](c2nc(-c3ccoc3)no2)CO1 ZINC000714057718 712478014 /nfs/dbraw/zinc/47/80/14/712478014.db2.gz HPKYAAHCXSBUPB-IUCAKERBSA-N 1 0 235.243 1.161 10 0 BDAERO CCC1([NH3+])CCN(c2cnccn2)CC1 ZINC000714751377 712497388 /nfs/dbraw/zinc/49/73/88/712497388.db2.gz AIJYBPWBMZUVNX-UHFFFAOYSA-N 1 0 206.293 1.184 10 0 BDAERO C([C@@H]1CCCO1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715014254 712504258 /nfs/dbraw/zinc/50/42/58/712504258.db2.gz UOHZXENCGOEMBW-FRRDWIJNSA-N 1 0 224.348 1.239 10 0 BDAERO COc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000715072146 712505746 /nfs/dbraw/zinc/50/57/46/712505746.db2.gz XGQOIKDZBNVULB-HOSYDEDBSA-N 1 0 248.326 1.467 10 0 BDAERO Cc1noc2ncnc(NC[C@H]3C[C@H]([NH3+])C3)c12 ZINC000715086385 712507592 /nfs/dbraw/zinc/50/75/92/712507592.db2.gz SXUKYFZNGUNSBZ-ZKCHVHJHSA-N 1 0 233.275 1.075 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cccc3cc[nH]c32)C1 ZINC000715114823 712509762 /nfs/dbraw/zinc/50/97/62/712509762.db2.gz YRGPQNXMTHTCNL-UHFFFAOYSA-N 1 0 243.310 1.635 10 0 BDAERO Cc1cc(C)nc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715113977 712509805 /nfs/dbraw/zinc/50/98/05/712509805.db2.gz MHKSQAWWIBQXKH-AOOOYVTPSA-N 1 0 206.293 1.243 10 0 BDAERO CCOC(=O)c1cccnc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715122281 712510869 /nfs/dbraw/zinc/51/08/69/712510869.db2.gz IIRPASYYCOIDMB-MGCOHNPYSA-N 1 0 249.314 1.408 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715508094 712524634 /nfs/dbraw/zinc/52/46/34/712524634.db2.gz JDCLUZGOLOESGF-WDEREUQCSA-N 1 0 213.321 1.305 10 0 BDAERO CC[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)C(C)C ZINC000715845815 712535925 /nfs/dbraw/zinc/53/59/25/712535925.db2.gz VRYUMILQPAKYTI-VHSXEESVSA-N 1 0 210.325 1.900 10 0 BDAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cn(C)nn1 ZINC000715851839 712536616 /nfs/dbraw/zinc/53/66/16/712536616.db2.gz OQSIRGMOPKJMPA-KHQFGBGNSA-N 1 0 226.349 1.360 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)[C@H]1CCCO1 ZINC000715913536 712541755 /nfs/dbraw/zinc/54/17/55/712541755.db2.gz RIPNHJLPEKLWJD-IQJOONFLSA-N 1 0 224.308 1.033 10 0 BDAERO CCCn1cc([C@@H](C)[NH2+]CC2CC(O)C2)nn1 ZINC000715935732 712544300 /nfs/dbraw/zinc/54/43/00/712544300.db2.gz OYENSWDNDAJSRU-KPPDAEKUSA-N 1 0 238.335 1.110 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NCCCCC2CC2)C1 ZINC000716343431 712555442 /nfs/dbraw/zinc/55/54/42/712555442.db2.gz JFIGXTRNDMXGCE-RYUDHWBXSA-N 1 0 224.348 1.810 10 0 BDAERO CC(C)(O)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000716394507 712558220 /nfs/dbraw/zinc/55/82/20/712558220.db2.gz OUSATRPTFGVTIF-LLVKDONJSA-N 1 0 213.321 1.258 10 0 BDAERO C[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000716446131 712561461 /nfs/dbraw/zinc/56/14/61/712561461.db2.gz RLBXIJZUXONTSB-VQJPJQAJSA-N 1 0 222.332 1.084 10 0 BDAERO C(N[C@@H]1CC[NH2+]C1)[C@H]1CCC2(CCC2)CO1 ZINC000716592498 712564515 /nfs/dbraw/zinc/56/45/15/712564515.db2.gz FDXVQLVZPFQXMK-VXGBXAGGSA-N 1 0 224.348 1.287 10 0 BDAERO CC[C@@H]([NH2+]C1CCS(=O)(=O)CC1)C(C)C ZINC000037269873 712565078 /nfs/dbraw/zinc/56/50/78/712565078.db2.gz KNFWZDAKCMWKIE-LLVKDONJSA-N 1 0 233.377 1.588 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCC1CC([NH3+])C1 ZINC000716483959 712565282 /nfs/dbraw/zinc/56/52/82/712565282.db2.gz KVLJFLKARQRVKI-MXYYXCJDSA-N 1 0 222.332 1.132 10 0 BDAERO C[C@H]1CCCC[C@H]1C[NH2+]C1CC(C(N)=O)C1 ZINC000716684517 712569894 /nfs/dbraw/zinc/56/98/94/712569894.db2.gz OHNXUGMTMRYZLX-JYBOHDQNSA-N 1 0 224.348 1.666 10 0 BDAERO CC(C)[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CCO1 ZINC000716687575 712570359 /nfs/dbraw/zinc/57/03/59/712570359.db2.gz PGNSUGIREXILOW-RSJDFQLWSA-N 1 0 240.347 1.044 10 0 BDAERO NC(=O)C1CC([NH2+]C[C@H]2CC=CCC2)C1 ZINC000716729874 712571176 /nfs/dbraw/zinc/57/11/76/712571176.db2.gz CJIXCCPHWIGWPW-WHXUTIOJSA-N 1 0 208.305 1.196 10 0 BDAERO CCc1ncc(C[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716771121 712572749 /nfs/dbraw/zinc/57/27/49/712572749.db2.gz VYRLBYJSRZRVHC-UHFFFAOYSA-N 1 0 239.344 1.059 10 0 BDAERO CC1(C)CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716762556 712572798 /nfs/dbraw/zinc/57/27/98/712572798.db2.gz YLRJZHBQXYBMAE-HSOILSAZSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H](CCc1ccco1)[NH2+]C1CC(C(N)=O)C1 ZINC000716782412 712573151 /nfs/dbraw/zinc/57/31/51/712573151.db2.gz DDGCTOKTQUWSJM-WHXUTIOJSA-N 1 0 236.315 1.454 10 0 BDAERO Cc1cc(C)cc(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716775287 712573329 /nfs/dbraw/zinc/57/33/29/712573329.db2.gz PIJIFWHNALESMF-UHFFFAOYSA-N 1 0 232.327 1.657 10 0 BDAERO Cc1cccc(C)c1C[NH2+]C1CC(C(N)=O)C1 ZINC000716774523 712573335 /nfs/dbraw/zinc/57/33/35/712573335.db2.gz FEIRQLHTCMUONR-UHFFFAOYSA-N 1 0 232.327 1.657 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1nccc2cccnc21 ZINC000716922848 712596276 /nfs/dbraw/zinc/59/62/76/712596276.db2.gz SCJVKHWXZCCTQP-GXSJLCMTSA-N 1 0 228.299 1.792 10 0 BDAERO C[C@H]([NH3+])CN(C)c1cc(Cl)ccc1C#N ZINC000379807778 712605750 /nfs/dbraw/zinc/60/57/50/712605750.db2.gz OMHRCIBZVKPCLB-QMMMGPOBSA-N 1 0 223.707 1.995 10 0 BDAERO C[C@@H](NC(=O)CC[NH2+]CC1CC1)C1CC1 ZINC000717235894 712640752 /nfs/dbraw/zinc/64/07/52/712640752.db2.gz XETHEFJGRWKISL-SECBINFHSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@H](O)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000717421647 712657260 /nfs/dbraw/zinc/65/72/60/712657260.db2.gz NJJGCGCLMAAUEY-YVZVNANGSA-N 1 0 245.269 1.357 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000717429402 712657425 /nfs/dbraw/zinc/65/74/25/712657425.db2.gz IPNJDQWSKZBVQL-FRRDWIJNSA-N 1 0 226.364 1.316 10 0 BDAERO CN1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000380195046 712710640 /nfs/dbraw/zinc/71/06/40/712710640.db2.gz QNOVNOMRSKPVIF-SRVKXCTJSA-N 1 0 214.328 1.808 10 0 BDAERO Cc1coc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000718468336 712764319 /nfs/dbraw/zinc/76/43/19/712764319.db2.gz SQYFDFNWJJHRCG-RKDXNWHRSA-N 1 0 208.261 1.007 10 0 BDAERO Cc1coc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000718556337 712769896 /nfs/dbraw/zinc/76/98/96/712769896.db2.gz FCXNXESOMBLEAT-JTQLQIEISA-N 1 0 222.288 1.364 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000718831662 712784615 /nfs/dbraw/zinc/78/46/15/712784615.db2.gz IKGKACVZNZTEAP-POSLAHMBSA-N 1 0 240.347 1.188 10 0 BDAERO CO[C@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000718831657 712784629 /nfs/dbraw/zinc/78/46/29/712784629.db2.gz IKGKACVZNZTEAP-ADPBJBESSA-N 1 0 240.347 1.188 10 0 BDAERO C[C@@H](C[NH3+])CNc1ccnc2ncccc12 ZINC000718931604 712788548 /nfs/dbraw/zinc/78/85/48/712788548.db2.gz ZARUZZZLKSQTNF-VIFPVBQESA-N 1 0 216.288 1.637 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccnc2ncccc21 ZINC000718930520 712788757 /nfs/dbraw/zinc/78/87/57/712788757.db2.gz OTLNJYHTRHDGMW-RKDXNWHRSA-N 1 0 216.288 1.777 10 0 BDAERO C[NH2+][C@@H]1CCN(c2ccnc3ncccc32)C1 ZINC000718987964 712792209 /nfs/dbraw/zinc/79/22/09/712792209.db2.gz WWSIOSWBALSKRG-SNVBAGLBSA-N 1 0 228.299 1.428 10 0 BDAERO CC(C)[C@@H](C)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719096403 712797131 /nfs/dbraw/zinc/79/71/31/712797131.db2.gz DJFBLDORGWVPEK-MNOVXSKESA-N 1 0 213.321 1.726 10 0 BDAERO C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1[NH3+] ZINC000720457448 712844427 /nfs/dbraw/zinc/84/44/27/712844427.db2.gz GLTADZPOJYOJNO-SFYZADRCSA-N 1 0 232.274 1.227 10 0 BDAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720573728 712852775 /nfs/dbraw/zinc/85/27/75/712852775.db2.gz GHZYSGKVTUZMQH-ZJUUUORDSA-N 1 0 210.325 1.902 10 0 BDAERO C[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000720584199 712854809 /nfs/dbraw/zinc/85/48/09/712854809.db2.gz RCJBEOXCSZXPIS-YFKTTZPYSA-N 1 0 240.347 1.045 10 0 BDAERO CC1(C)CN(c2nc3ccccc3[nH]2)C[C@@H]1[NH3+] ZINC000720760870 712864141 /nfs/dbraw/zinc/86/41/41/712864141.db2.gz VZOGRSWABDOCFZ-NSHDSACASA-N 1 0 230.315 1.736 10 0 BDAERO C[NH2+]CCN(c1nccc(C)n1)C(C)C ZINC000720791682 712865886 /nfs/dbraw/zinc/86/58/86/712865886.db2.gz QYMSDHLZJLALEU-UHFFFAOYSA-N 1 0 208.309 1.219 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](C)(C(=O)[O-])C1 ZINC000692660025 968917327 /nfs/dbraw/zinc/91/73/27/968917327.db2.gz MFYQSIGGDKRIQT-YPMHNXCESA-N 1 0 240.347 1.267 10 0 BDAERO CC(C)C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000688494459 976180520 /nfs/dbraw/zinc/18/05/20/976180520.db2.gz VBNLJPPZTCFDPA-VXGBXAGGSA-N 1 0 242.363 1.369 10 0 BDAERO CC(C)C[C@@H](C(=O)[O-])[NH+]1CCC([NH+](C)C)CC1 ZINC000695097987 976778101 /nfs/dbraw/zinc/77/81/01/976778101.db2.gz NUWZQXPHRWAVDE-LBPRGKRZSA-N 1 0 242.363 1.512 10 0 BDAERO CC(C)C[NH+]1CCC2(CC1)C(=O)CCN2C ZINC000685954018 538898973 /nfs/dbraw/zinc/89/89/73/538898973.db2.gz KOLJTVUHBISOHA-UHFFFAOYSA-N 1 0 224.348 1.382 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C(C)C)C[C@@H]1[NH3+] ZINC000685955115 538899625 /nfs/dbraw/zinc/89/96/25/538899625.db2.gz TZEXHALHDNKGOX-SDDRHHMPSA-N 1 0 247.404 1.963 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000685954885 538899880 /nfs/dbraw/zinc/89/98/80/538899880.db2.gz QEUBSBZCUKVLKB-LPEHRKFASA-N 1 0 219.350 1.185 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12CCSC2 ZINC000685954903 538899907 /nfs/dbraw/zinc/89/99/07/538899907.db2.gz QFHZPBOLQAJVNM-NXEZZACHSA-N 1 0 200.351 1.304 10 0 BDAERO CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1S(C)(=O)=O ZINC000685955160 538900885 /nfs/dbraw/zinc/90/08/85/538900885.db2.gz VAICNMSTAYOGKS-IVZWLZJFSA-N 1 0 219.350 1.198 10 0 BDAERO CCCCOCCOCC(F)(F)C[NH3+] ZINC000685955790 538901839 /nfs/dbraw/zinc/90/18/39/538901839.db2.gz AWIANNDQKDRYAN-UHFFFAOYSA-N 1 0 211.252 1.414 10 0 BDAERO CCNCC(F)(F)CN(C)C1CCC1 ZINC000685957119 538903389 /nfs/dbraw/zinc/90/33/89/538903389.db2.gz QQNORSCNBFZTQM-UHFFFAOYSA-N 1 0 206.280 1.716 10 0 BDAERO Cc1nn(CC(F)(F)C[NH3+])cc1Cl ZINC000685956653 538903891 /nfs/dbraw/zinc/90/38/91/538903891.db2.gz HQGIXVXCBVLVHH-UHFFFAOYSA-N 1 0 209.627 1.439 10 0 BDAERO CCCC[NH2+]CC[C@H](CO)[C@H]1CCOC1 ZINC000685963682 538910528 /nfs/dbraw/zinc/91/05/28/538910528.db2.gz VOUZNGXJDOORPR-NEPJUHHUSA-N 1 0 215.337 1.411 10 0 BDAERO CC(C)[NH2+]CC[C@H](CO)[C@H]1COC(C)(C)O1 ZINC000685961115 538907925 /nfs/dbraw/zinc/90/79/25/538907925.db2.gz OIJQDUSXRDSKLJ-GHMZBOCLSA-N 1 0 231.336 1.135 10 0 BDAERO C[C@H]([NH2+]CC(N)=O)c1ccc(F)c(F)c1 ZINC000058552010 398137087 /nfs/dbraw/zinc/13/70/87/398137087.db2.gz UWRFISWLTGTQHS-LURJTMIESA-N 1 0 214.215 1.101 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@@H](CO)[C@H]1CCOC1 ZINC000685963251 538908510 /nfs/dbraw/zinc/90/85/10/538908510.db2.gz KCUUYJAQEXLXDS-SRVKXCTJSA-N 1 0 215.337 1.410 10 0 BDAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)CC)[C@@H](C)C1 ZINC000685952648 538896595 /nfs/dbraw/zinc/89/65/95/538896595.db2.gz BLIUGYYZGXCAIT-AXFHLTTASA-N 1 0 233.377 1.588 10 0 BDAERO C1=C(c2n[nH]c3c2CSCC3)CC[NH2+]C1 ZINC000685952811 538896800 /nfs/dbraw/zinc/89/68/00/538896800.db2.gz QHUSRBPCLUAWFN-UHFFFAOYSA-N 1 0 221.329 1.576 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@H]([NH3+])C[C@H]1C ZINC000685953055 538896940 /nfs/dbraw/zinc/89/69/40/538896940.db2.gz FVRWAOLJHSYNTA-KXUCPTDWSA-N 1 0 219.350 1.326 10 0 BDAERO CC(C)N(Cc1ccccn1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062115090 349437966 /nfs/dbraw/zinc/43/79/66/349437966.db2.gz HTEKYSITQPTOCP-LBPRGKRZSA-N 1 0 247.342 1.428 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N(Cc1ccncc1)C1CC1 ZINC000062114678 349438180 /nfs/dbraw/zinc/43/81/80/349438180.db2.gz NBRSXRLPLBGVGJ-LBPRGKRZSA-N 1 0 245.326 1.182 10 0 BDAERO c1nnc([C@H]2CCC[N@@H+](CC3=CCCOC3)C2)[nH]1 ZINC000408073715 136210040 /nfs/dbraw/zinc/21/00/40/136210040.db2.gz RKUNKWDZZOEFQK-LBPRGKRZSA-N 1 0 248.330 1.331 10 0 BDAERO CCC(CC)(CC)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129281480 168316382 /nfs/dbraw/zinc/31/63/82/168316382.db2.gz QOPCRFSCMVPTEL-JTQLQIEISA-N 1 0 226.364 1.927 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CCn1cnc(N)c1 ZINC000685964207 538910986 /nfs/dbraw/zinc/91/09/86/538910986.db2.gz NOBICLVLYJDTEM-SNVBAGLBSA-N 1 0 208.309 1.340 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)cc1F ZINC000685965579 538911936 /nfs/dbraw/zinc/91/19/36/538911936.db2.gz JZHVKEAUCVTFQU-CABZTGNLSA-N 1 0 224.279 1.239 10 0 BDAERO CCc1cccc([C@@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685965722 538912279 /nfs/dbraw/zinc/91/22/79/538912279.db2.gz QADZDZMSSONZEY-QWHCGFSZSA-N 1 0 204.317 1.653 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 ZINC000685965729 538912319 /nfs/dbraw/zinc/91/23/19/538912319.db2.gz QGNXEQZWGVTAJX-UONOGXRCSA-N 1 0 216.328 1.968 10 0 BDAERO CCC(CC)(C[NH3+])N1CCn2ccnc2C1 ZINC000062249366 168323203 /nfs/dbraw/zinc/32/32/03/168323203.db2.gz SDENPQMYXZEONY-UHFFFAOYSA-N 1 0 222.336 1.216 10 0 BDAERO CN[C@@H]([NH3+])CCCC(=O)OC(C)(C)C ZINC000071186624 398144850 /nfs/dbraw/zinc/14/48/50/398144850.db2.gz YIZDRRZCFNNKLB-MRVPVSSYSA-N 1 0 202.298 1.003 10 0 BDAERO OCC[C@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000161582103 349476130 /nfs/dbraw/zinc/47/61/30/349476130.db2.gz HIFDHQOFHKQAJA-SECBINFHSA-N 1 0 241.253 1.270 10 0 BDAERO COC[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)C1CC1 ZINC000378720237 346813683 /nfs/dbraw/zinc/81/36/83/346813683.db2.gz FQOIFPDACPILSO-JHJVBQTASA-N 1 0 227.348 1.695 10 0 BDAERO COc1ccc2oc(NCCC[NH3+])nc2c1 ZINC000257756303 349483788 /nfs/dbraw/zinc/48/37/88/349483788.db2.gz PFGBQYFHEWHKAS-UHFFFAOYSA-N 1 0 221.260 1.597 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCCc2ccccc2C1 ZINC000062945998 349502348 /nfs/dbraw/zinc/50/23/48/349502348.db2.gz XGBIOHPXMFBRLI-LLVKDONJSA-N 1 0 232.327 1.569 10 0 BDAERO CCC(CC)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116789529 168335251 /nfs/dbraw/zinc/33/52/51/168335251.db2.gz HAGCTLZMDYGKDY-LBPRGKRZSA-N 1 0 242.363 1.212 10 0 BDAERO Cc1cc(CNC(=O)[C@H]([NH3+])c2ccccc2)on1 ZINC000045006999 178015297 /nfs/dbraw/zinc/01/52/97/178015297.db2.gz QHLHFKHVSCEDFK-GFCCVEGCSA-N 1 0 245.282 1.299 10 0 BDAERO Cc1cc(CNC2=[NH+]C[C@H](C)S2)on1 ZINC000045005797 178018483 /nfs/dbraw/zinc/01/84/83/178018483.db2.gz FPCQMASXYGCWLS-ZETCQYMHSA-N 1 0 211.290 1.564 10 0 BDAERO Cc1cc(CNC2=[NH+][C@@H](C)CS2)no1 ZINC000044726657 178019449 /nfs/dbraw/zinc/01/94/49/178019449.db2.gz KEPHFBXFJHZPHL-LURJTMIESA-N 1 0 211.290 1.564 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC(C)(C)C(C)C ZINC000390278232 398169107 /nfs/dbraw/zinc/16/91/07/398169107.db2.gz UKAAKJYIJSWCSX-SNVBAGLBSA-N 1 0 214.353 1.911 10 0 BDAERO Cc1cc(CNc2cc[nH+]cc2N)on1 ZINC000044988216 178045106 /nfs/dbraw/zinc/04/51/06/178045106.db2.gz MOHJQNUKCXHGHM-UHFFFAOYSA-N 1 0 204.233 1.572 10 0 BDAERO [NH3+]CCC(=O)Nc1ccnc(Br)c1 ZINC000306713992 398183564 /nfs/dbraw/zinc/18/35/64/398183564.db2.gz WGSNNIBTLIYIOE-UHFFFAOYSA-N 1 0 244.092 1.131 10 0 BDAERO Cc1cc(C[C@@H](C)[NH3+])nc(N2CCCC2)n1 ZINC000054835528 178054935 /nfs/dbraw/zinc/05/49/35/178054935.db2.gz JIOOHGPJWLQRRY-SECBINFHSA-N 1 0 220.320 1.275 10 0 BDAERO Cc1cc(Cn2nc(C)c(C[NH3+])c2C)no1 ZINC000036868318 178074056 /nfs/dbraw/zinc/07/40/56/178074056.db2.gz XAJUCCDZNRBAKH-UHFFFAOYSA-N 1 0 220.276 1.303 10 0 BDAERO Cc1cc(Cl)ccc1-n1nnnc1[C@H](C)[NH3+] ZINC000062493907 178065332 /nfs/dbraw/zinc/06/53/32/178065332.db2.gz CRSCHJIYHNXYSB-ZETCQYMHSA-N 1 0 237.694 1.644 10 0 BDAERO Cc1cc(Cl)ccc1OCCN(C)CC[NH3+] ZINC000077391592 178068544 /nfs/dbraw/zinc/06/85/44/178068544.db2.gz JNDBOAYOEPUOST-UHFFFAOYSA-N 1 0 242.750 1.918 10 0 BDAERO Cc1cc(Cl)nc(N(C)[C@@H]2CCC[NH2+]C2)n1 ZINC000095070512 178071466 /nfs/dbraw/zinc/07/14/66/178071466.db2.gz JCAXMRPYLWIEJS-SECBINFHSA-N 1 0 240.738 1.627 10 0 BDAERO Cc1cc(F)ccc1C1(O)CC[NH2+]CC1 ZINC000055193350 178084109 /nfs/dbraw/zinc/08/41/09/178084109.db2.gz NHCYTJYYEFDNPX-UHFFFAOYSA-N 1 0 209.264 1.705 10 0 BDAERO Cc1cc(F)ccc1N1CC[C@@H]([NH3+])C1=O ZINC000049647642 178088194 /nfs/dbraw/zinc/08/81/94/178088194.db2.gz AOKVJOUEBTZSBR-SECBINFHSA-N 1 0 208.236 1.198 10 0 BDAERO Cc1cc(F)ccc1N1C[C@H]([NH3+])CC1=O ZINC000035679848 178088325 /nfs/dbraw/zinc/08/83/25/178088325.db2.gz UEEXBQPXMYKUEV-SECBINFHSA-N 1 0 208.236 1.198 10 0 BDAERO Cc1cc(N2CCC[C@@H]2C[NH2+]C2CC2)ncn1 ZINC000053695167 178114955 /nfs/dbraw/zinc/11/49/55/178114955.db2.gz AKGLRESEMUZAHX-GFCCVEGCSA-N 1 0 232.331 1.506 10 0 BDAERO O=C(CC[C@@H]1CCC[NH2+]1)NCC[C@H]1CCCO1 ZINC000380224463 398191313 /nfs/dbraw/zinc/19/13/13/398191313.db2.gz NOJSMABJKUDBMC-NWDGAFQWSA-N 1 0 240.347 1.204 10 0 BDAERO Cc1cc(F)ccc1[C@H]([NH3+])CS(C)(=O)=O ZINC000055228535 178092330 /nfs/dbraw/zinc/09/23/30/178092330.db2.gz PBEZZNPFARKJFY-SNVBAGLBSA-N 1 0 231.292 1.179 10 0 BDAERO Cc1cc(F)ccc1[C@H]([NH2+]C(C)C)C(N)=O ZINC000050579625 178092362 /nfs/dbraw/zinc/09/23/62/178092362.db2.gz FCMDMTSVDYSQBI-NSHDSACASA-N 1 0 224.279 1.659 10 0 BDAERO Cc1nn(C)c(NC[C@@H](C)[NH3+])c1Br ZINC000306780172 398195098 /nfs/dbraw/zinc/19/50/98/398195098.db2.gz DNBVEOLZYJLDPU-RXMQYKEDSA-N 1 0 247.140 1.250 10 0 BDAERO Cc1cc(N2CCOCC(F)(F)C2)cc[nH+]1 ZINC000289189904 178116127 /nfs/dbraw/zinc/11/61/27/178116127.db2.gz WOXAKWGQIDMBSX-UHFFFAOYSA-N 1 0 228.242 1.862 10 0 BDAERO CC[N@@H+]1CC[C@@H](c2ccccc2CO)C1 ZINC000616612363 349517595 /nfs/dbraw/zinc/51/75/95/349517595.db2.gz BQCRZRMFSQWYDD-LLVKDONJSA-N 1 0 205.301 1.988 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CCCO ZINC000386304217 398204065 /nfs/dbraw/zinc/20/40/65/398204065.db2.gz LAJPDBATWAADEZ-STQMWFEESA-N 1 0 226.364 1.318 10 0 BDAERO C[C@@H](C[NH2+]C[C@H]1CN(C)CCO1)C(C)(C)C ZINC000162911958 538925582 /nfs/dbraw/zinc/92/55/82/538925582.db2.gz HUGMCCOOIXVMPY-RYUDHWBXSA-N 1 0 228.380 1.589 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)C1CC1 ZINC000162914324 538925664 /nfs/dbraw/zinc/92/56/64/538925664.db2.gz KDZMICSWSOKMLO-STQMWFEESA-N 1 0 226.364 1.485 10 0 BDAERO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1 ZINC000119787604 178137841 /nfs/dbraw/zinc/13/78/41/178137841.db2.gz PEAFGQASNCHIRY-GFCCVEGCSA-N 1 0 248.330 1.558 10 0 BDAERO CC[C@H]1CN(c2ncc(C)c(C)n2)CC[C@H]1[NH3+] ZINC000386641217 398215044 /nfs/dbraw/zinc/21/50/44/398215044.db2.gz INKFEEWPHSLEKQ-NWDGAFQWSA-N 1 0 234.347 1.657 10 0 BDAERO CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)C1(C)C ZINC000386655741 398215342 /nfs/dbraw/zinc/21/53/42/398215342.db2.gz RKFMOGKHBVYLOI-SDDRHHMPSA-N 1 0 226.364 1.484 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)n(C)n1 ZINC000019435185 178145192 /nfs/dbraw/zinc/14/51/92/178145192.db2.gz DDOWCAXCPJOOGU-PSASIEDQSA-N 1 0 236.319 1.055 10 0 BDAERO [NH3+]C[C@@H]1CN(c2ccc(F)cc2F)C(=O)O1 ZINC000019669208 538927087 /nfs/dbraw/zinc/92/70/87/538927087.db2.gz LWLZLKBJZQAVFW-SSDOTTSWSA-N 1 0 228.198 1.249 10 0 BDAERO Cc1cc2ncnn2c(NCC[C@@H]2CC[NH2+]C2)c1 ZINC000104356279 178162892 /nfs/dbraw/zinc/16/28/92/178162892.db2.gz YFYJICROSNZFNY-NSHDSACASA-N 1 0 245.330 1.449 10 0 BDAERO Cc1cc(NC[C@H](C)[NH+](C)C)nc(Cl)n1 ZINC000052814943 178168178 /nfs/dbraw/zinc/16/81/78/178168178.db2.gz VHIOTNQXIJBCPA-QMMMGPOBSA-N 1 0 228.727 1.800 10 0 BDAERO Cc1cc(NN)[nH+]c(-c2ccncc2)n1 ZINC000027980789 178177679 /nfs/dbraw/zinc/17/76/79/178177679.db2.gz VIHXWWJJHFGFIX-UHFFFAOYSA-N 1 0 201.233 1.133 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H](C)O ZINC000386928795 398223242 /nfs/dbraw/zinc/22/32/42/398223242.db2.gz SSVDRQDVSSKHRC-LPEHRKFASA-N 1 0 203.326 1.142 10 0 BDAERO Cc1cc(N[C@H](C)C(N)=O)c2ccccc2[nH+]1 ZINC000035206744 178183708 /nfs/dbraw/zinc/18/37/08/178183708.db2.gz JNVCBBDAZNPLND-SECBINFHSA-N 1 0 229.283 1.829 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000336722828 398223883 /nfs/dbraw/zinc/22/38/83/398223883.db2.gz TVTNNVULMUIRJV-AAEUAGOBSA-N 1 0 237.347 1.718 10 0 BDAERO Cc1cc(=O)[nH]c(SC[C@@H]2CCCC[NH2+]2)n1 ZINC000043495178 178203604 /nfs/dbraw/zinc/20/36/04/178203604.db2.gz NQVXBXSTRGFUIL-VIFPVBQESA-N 1 0 239.344 1.725 10 0 BDAERO C[NH2+]C[C@@H](C)N1CCSCC[C@H]1C ZINC000306640888 361749672 /nfs/dbraw/zinc/74/96/72/361749672.db2.gz PZYYIHMONDYMBE-NXEZZACHSA-N 1 0 202.367 1.422 10 0 BDAERO CC(C)(O)CSC1=[NH+]CC(C)(C)CN1 ZINC000306641299 361750379 /nfs/dbraw/zinc/75/03/79/361750379.db2.gz QILMNZMQZSXNDC-UHFFFAOYSA-N 1 0 216.350 1.476 10 0 BDAERO Cc1cc(OCC2CC[NH2+]CC2)nc(C)n1 ZINC000051869612 178209851 /nfs/dbraw/zinc/20/98/51/178209851.db2.gz VYOCXGSQWOQALR-UHFFFAOYSA-N 1 0 221.304 1.472 10 0 BDAERO Cc1cc(OCC[NH+]2CCCC2)ncc1N ZINC000077332514 178210544 /nfs/dbraw/zinc/21/05/44/178210544.db2.gz NFBKJINPESBJMM-UHFFFAOYSA-N 1 0 221.304 1.447 10 0 BDAERO CCCN(CC(C)C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000379771910 398228941 /nfs/dbraw/zinc/22/89/41/398228941.db2.gz ATJXWNBACSHFCH-LLVKDONJSA-N 1 0 212.337 1.491 10 0 BDAERO CCC[C@H](C(=O)NC[C@H]1CCCOC1)[NH+](C)C ZINC000179571823 259304545 /nfs/dbraw/zinc/30/45/45/259304545.db2.gz IPYVFMCXRWQUNY-VXGBXAGGSA-N 1 0 242.363 1.260 10 0 BDAERO CNc1nnc(SC[C@H](C)[NH3+])s1 ZINC000306642997 361773927 /nfs/dbraw/zinc/77/39/27/361773927.db2.gz VNXUHEZHSBAJMB-BYPYZUCNSA-N 1 0 204.324 1.019 10 0 BDAERO CCC[C@@H](C(=O)NC[C@H](C)COC)[NH+](C)C ZINC000179634175 259304695 /nfs/dbraw/zinc/30/46/95/259304695.db2.gz ITWVVLUMXONADC-QWRGUYRKSA-N 1 0 230.352 1.115 10 0 BDAERO C[C@@H]([NH3+])c1csc(-c2ncccn2)n1 ZINC000070840424 361782392 /nfs/dbraw/zinc/78/23/92/361782392.db2.gz HIJFQEAYEIKQGS-ZCFIWIBFSA-N 1 0 206.274 1.620 10 0 BDAERO Cc1cc([C@H](C)N2CC[NH2+]CC2)c(C)o1 ZINC000038086735 178244714 /nfs/dbraw/zinc/24/47/14/178244714.db2.gz QUDKIWAZGKCDAU-JTQLQIEISA-N 1 0 208.305 1.863 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)CC2CCC2)C1 ZINC000165238646 538935379 /nfs/dbraw/zinc/93/53/79/538935379.db2.gz OVOJJBRMFJOPIP-JSGCOSHPSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccnn1-c1ccccc1 ZINC000229470131 538939628 /nfs/dbraw/zinc/93/96/28/538939628.db2.gz HVAXTJFHLHLGHJ-CYBMUJFWSA-N 1 0 231.299 1.515 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CSC1(C)C ZINC000393846979 343992136 /nfs/dbraw/zinc/99/21/36/343992136.db2.gz GNYWKMXKEYLRIA-RKDXNWHRSA-N 1 0 217.378 1.877 10 0 BDAERO CC(=O)N1CCC2(CCCC[C@@H]2[NH3+])CC1 ZINC000616569637 538938102 /nfs/dbraw/zinc/93/81/02/538938102.db2.gz BPXKJAUWQCPGQA-NSHDSACASA-N 1 0 210.321 1.516 10 0 BDAERO Cc1noc2ncnc(N[C@H](C)CCC[NH3+])c12 ZINC000379841845 398238953 /nfs/dbraw/zinc/23/89/53/398238953.db2.gz BWOPLCMQROIQFT-SSDOTTSWSA-N 1 0 235.291 1.466 10 0 BDAERO C[NH2+][C@@H]1CS[C@@H]2CCCC[C@H](O)[C@H]21 ZINC000306199929 398246633 /nfs/dbraw/zinc/24/66/33/398246633.db2.gz NZHCNWFWAOLQFU-UTINFBMNSA-N 1 0 201.335 1.241 10 0 BDAERO CC[C@H](C)[C@H](C[NH2+][C@H]1CCN(CC)C1)OC ZINC000381294745 398250413 /nfs/dbraw/zinc/25/04/13/398250413.db2.gz OVQYQPARFKFLIS-AVGNSLFASA-N 1 0 228.380 1.731 10 0 BDAERO OC[C@H]1C[N@H+](CC/C=C\c2ccccc2)CCO1 ZINC000323024874 259309651 /nfs/dbraw/zinc/30/96/51/259309651.db2.gz ABQKTLFHIIASSC-UFRMUOTOSA-N 1 0 247.338 1.783 10 0 BDAERO CC(C)C1([NH2+]CCn2ccccc2=O)CC1 ZINC000382299877 398256341 /nfs/dbraw/zinc/25/63/41/398256341.db2.gz NCRPSJDFGSNXCS-UHFFFAOYSA-N 1 0 220.316 1.627 10 0 BDAERO Cc1ccc(-c2nc(C[NH3+])cs2)cn1 ZINC000083344424 178334227 /nfs/dbraw/zinc/33/42/27/178334227.db2.gz CTNVHINVQIMLBH-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO Cc1ccc(-c2nc([C@H](C)C[NH3+])no2)cn1 ZINC000054158790 178337190 /nfs/dbraw/zinc/33/71/90/178337190.db2.gz QNMVALMLLPNXHT-SSDOTTSWSA-N 1 0 218.260 1.502 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccnc1 ZINC000078516182 398259407 /nfs/dbraw/zinc/25/94/07/398259407.db2.gz APGFQPNAFMCLEU-YPMHNXCESA-N 1 0 235.331 1.063 10 0 BDAERO CCN1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000381457370 398258306 /nfs/dbraw/zinc/25/83/06/398258306.db2.gz IVUPYLYMHWBXQX-QWHCGFSZSA-N 1 0 226.364 1.175 10 0 BDAERO CCC(CC)[N@H+](C)Cc1ccc(C(N)=O)cc1N ZINC000036788394 168368861 /nfs/dbraw/zinc/36/88/61/168368861.db2.gz FLNISKKVQQWRDA-UHFFFAOYSA-N 1 0 249.358 1.988 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@H](C)C1CCCC1 ZINC000381769378 398254816 /nfs/dbraw/zinc/25/48/16/398254816.db2.gz VXKTZTFVCCMMCW-NXEZZACHSA-N 1 0 212.337 1.666 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)O1 ZINC000381387444 398254988 /nfs/dbraw/zinc/25/49/88/398254988.db2.gz MNKXNYHXZRVWTF-NZEXEKPDSA-N 1 0 224.348 1.223 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)O1 ZINC000381387446 398255057 /nfs/dbraw/zinc/25/50/57/398255057.db2.gz MNKXNYHXZRVWTF-RXGFPQBGSA-N 1 0 224.348 1.223 10 0 BDAERO CCOCC(C)(C)[NH2+]C[C@@H]1CCCN1C ZINC000386287014 398264749 /nfs/dbraw/zinc/26/47/49/398264749.db2.gz GUUGMEDXZQEMIE-NSHDSACASA-N 1 0 214.353 1.485 10 0 BDAERO CC(C)(C)[C@H]([NH3+])CNC(=O)NC1CCCCC1 ZINC000324725965 538951119 /nfs/dbraw/zinc/95/11/19/538951119.db2.gz HFUALZUEVNWLFF-LLVKDONJSA-N 1 0 241.379 1.992 10 0 BDAERO CC1(C)[C@@H]([NH2+]CCN2CCC2)[C@@H]2CCO[C@@H]21 ZINC000378745940 346822505 /nfs/dbraw/zinc/82/25/05/346822505.db2.gz RKJXNLVQKKASJW-SRVKXCTJSA-N 1 0 224.348 1.095 10 0 BDAERO CCC(CC)[N@H+](CCOC)C[C@@H](C)C(=O)OC ZINC000042680309 168373736 /nfs/dbraw/zinc/37/37/36/168373736.db2.gz YCDBRCKCXZFBNW-LLVKDONJSA-N 1 0 245.363 1.933 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000042526154 168374015 /nfs/dbraw/zinc/37/40/15/168374015.db2.gz SIALZYGDHMPPRS-LBPRGKRZSA-N 1 0 242.363 1.138 10 0 BDAERO Cc1ccc(C(=O)CN2CC[C@@H]([NH3+])C2)s1 ZINC000050242272 178372838 /nfs/dbraw/zinc/37/28/38/178372838.db2.gz PJJNVLJOHHHXOG-SECBINFHSA-N 1 0 224.329 1.272 10 0 BDAERO CCC(CC)[C@@H]([NH3+])CNC(=O)NC1CCCC1 ZINC000230630695 538950559 /nfs/dbraw/zinc/95/05/59/538950559.db2.gz ZTUWNLXEEQUICT-LBPRGKRZSA-N 1 0 241.379 1.992 10 0 BDAERO CCCCNC(=O)NC[C@@H]([NH3+])C(CC)CC ZINC000230630783 538950563 /nfs/dbraw/zinc/95/05/63/538950563.db2.gz KFACUFSTINJOSP-LLVKDONJSA-N 1 0 229.368 1.849 10 0 BDAERO c1ccc([C@@H]2CCNC3=[NH+]CCN32)cc1 ZINC000141528355 538952961 /nfs/dbraw/zinc/95/29/61/538952961.db2.gz QCZVSTFZLSDXNY-NSHDSACASA-N 1 0 201.273 1.393 10 0 BDAERO CCC(CC)[N@H+](CCO)Cc1ccc(N)nc1 ZINC000050816945 168374705 /nfs/dbraw/zinc/37/47/05/168374705.db2.gz DNNIQMDCSNTHBF-UHFFFAOYSA-N 1 0 237.347 1.647 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@H]([NH3+])[C@H](C)CC ZINC000042526167 168374883 /nfs/dbraw/zinc/37/48/83/168374883.db2.gz GGXIWUIUXNQTHK-ZYHUDNBSSA-N 1 0 244.379 1.369 10 0 BDAERO c1ccc(COCC[C@H]2C[NH2+]CCN2)cc1 ZINC000199786149 342688902 /nfs/dbraw/zinc/68/89/02/342688902.db2.gz SXGQUYGSJGHSLV-ZDUSSCGKSA-N 1 0 220.316 1.155 10 0 BDAERO CCC(CC)NC(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000019432808 168383403 /nfs/dbraw/zinc/38/34/03/168383403.db2.gz CCVBMAMWBBDXHC-KOLCDFICSA-N 1 0 212.337 1.822 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1cncc(Cl)n1 ZINC000306659557 361869939 /nfs/dbraw/zinc/86/99/39/361869939.db2.gz LSRVJYZHGUWALT-RITPCOANSA-N 1 0 200.673 1.278 10 0 BDAERO CC1(C)C[N+](=O)[C@H](c2ccccc2)N1O ZINC000003171656 342731163 /nfs/dbraw/zinc/73/11/63/342731163.db2.gz XHKYXXQKYTUJTK-JTQLQIEISA-N 1 0 206.245 1.750 10 0 BDAERO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)[C@H]1CCCO1 ZINC000183117581 538965783 /nfs/dbraw/zinc/96/57/83/538965783.db2.gz IQUSPULOSGQQEZ-CMPLNLGQSA-N 1 0 240.347 1.012 10 0 BDAERO OC1(c2ccc3c(c2)C[NH2+]C3)CCOCC1 ZINC000145938127 342763312 /nfs/dbraw/zinc/76/33/12/342763312.db2.gz GIFSGFNXMKSEKL-UHFFFAOYSA-N 1 0 219.284 1.288 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](COc2ccccc2)CO1 ZINC000146191334 342767555 /nfs/dbraw/zinc/76/75/55/342767555.db2.gz UQAXLWWYSGHXCB-WCQYABFASA-N 1 0 221.300 1.819 10 0 BDAERO [NH3+]CC[C@H](O)c1coc(-c2ccc(F)cc2)n1 ZINC000118346401 342768892 /nfs/dbraw/zinc/76/88/92/342768892.db2.gz SYZBXKGWYYNIAE-NSHDSACASA-N 1 0 236.246 1.863 10 0 BDAERO CCOC(=O)[C@]1(c2ccccc2)CC[N@H+](C)C1 ZINC000259973182 349617583 /nfs/dbraw/zinc/61/75/83/349617583.db2.gz CBBLIEHODKCLMT-CQSZACIVSA-N 1 0 233.311 1.823 10 0 BDAERO CC(=O)Nc1ccc2c(c1)C[C@H]([NH+](C)C)C2 ZINC000118431617 342800651 /nfs/dbraw/zinc/80/06/51/342800651.db2.gz BTZQHXRWXPELJY-CYBMUJFWSA-N 1 0 218.300 1.674 10 0 BDAERO CCOc1ccccc1[C@H](C)[NH2+]CCC(N)=O ZINC000036746952 398287421 /nfs/dbraw/zinc/28/74/21/398287421.db2.gz POKYQRHTVFADMW-JTQLQIEISA-N 1 0 236.315 1.611 10 0 BDAERO C[S@](=O)(=NC#N)c1ccc(C[NH3+])c(F)c1 ZINC000148830490 342792659 /nfs/dbraw/zinc/79/26/59/342792659.db2.gz KJGMAYRMDSQTDO-OAHLLOKOSA-N 1 0 227.264 1.222 10 0 BDAERO C[NH2+]Cc1nc2c(s1)[C@@H](C)O[C@H](C)C2 ZINC000126881686 342798418 /nfs/dbraw/zinc/79/84/18/342798418.db2.gz NILRTIIFCSZNDK-RNFRBKRXSA-N 1 0 212.318 1.885 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2[C@H](C)CCC[C@@H]2C)C1 ZINC000040637407 538972223 /nfs/dbraw/zinc/97/22/23/538972223.db2.gz VCBBGSWYWKSJRT-RNJOBUHISA-N 1 0 226.364 1.626 10 0 BDAERO Cc1nsc(N2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000227076804 342816510 /nfs/dbraw/zinc/81/65/10/342816510.db2.gz WNJCFCDSBDBIME-XPUUQOCRSA-N 1 0 212.322 1.020 10 0 BDAERO [NH3+]CC1(Nc2ccncc2Br)CC1 ZINC000127043313 342816572 /nfs/dbraw/zinc/81/65/72/342816572.db2.gz SVFYYNWSLRRDCM-UHFFFAOYSA-N 1 0 242.120 1.747 10 0 BDAERO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C(C)(C)C ZINC000381939142 398288538 /nfs/dbraw/zinc/28/85/38/398288538.db2.gz AMORPJJWBATTOZ-UWVGGRQHSA-N 1 0 212.337 1.618 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@@]1(CC)CCOC1 ZINC000378741503 538973979 /nfs/dbraw/zinc/97/39/79/538973979.db2.gz HOFAHZNFCLGSRQ-STQMWFEESA-N 1 0 245.363 1.323 10 0 BDAERO c1ccc2c(c1)SC[C@H]2CN[C@H]1CC[NH2+]C1 ZINC000335517777 398290166 /nfs/dbraw/zinc/29/01/66/398290166.db2.gz YTTFTTXQRCKFQS-MNOVXSKESA-N 1 0 234.368 1.827 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000380969210 538994243 /nfs/dbraw/zinc/99/42/43/538994243.db2.gz FBHGXNBGPWVSBO-RYUDHWBXSA-N 1 0 226.364 1.929 10 0 BDAERO CC(=O)N1CC[C@@H]([NH2+]CCCF)[C@H](C)C1 ZINC000380031885 538984319 /nfs/dbraw/zinc/98/43/19/538984319.db2.gz QNKCJFJNUJABKR-MWLCHTKSSA-N 1 0 216.300 1.193 10 0 BDAERO CN1CCC[C@H]1C[N@H+](CCO)C1CCCCC1 ZINC000386333085 539013406 /nfs/dbraw/zinc/01/34/06/539013406.db2.gz QDJKAQQVOZNTHF-AWEZNQCLSA-N 1 0 240.391 1.708 10 0 BDAERO CSC(C)(C)C[C@H](O)C(C)(C)C[NH3+] ZINC000385230106 539012999 /nfs/dbraw/zinc/01/29/99/539012999.db2.gz NPMUTMVTNMRPGE-QMMMGPOBSA-N 1 0 205.367 1.864 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CCn2ccnc2C1)C1CC1 ZINC000381322155 538998466 /nfs/dbraw/zinc/99/84/66/538998466.db2.gz PDXBATKUHXPVAH-MNOVXSKESA-N 1 0 219.332 1.834 10 0 BDAERO CC[C@H]([NH2+]C1CCN(CCO)CC1)C1CC1 ZINC000381386763 538999965 /nfs/dbraw/zinc/99/99/65/538999965.db2.gz MYFLJPYMASTMEJ-ZDUSSCGKSA-N 1 0 226.364 1.221 10 0 BDAERO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCNC1=O ZINC000381411912 539000045 /nfs/dbraw/zinc/00/00/45/539000045.db2.gz SZNJLWXDWTZTIQ-JGVFFNPUSA-N 1 0 238.253 1.586 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000381445450 539000665 /nfs/dbraw/zinc/00/06/65/539000665.db2.gz FQCBWLJMVQTPGY-TUAOUCFPSA-N 1 0 229.364 1.941 10 0 BDAERO CC(C)c1nc([C@H]2CCC[NH2+]2)cc(=O)[nH]1 ZINC000107243910 539021154 /nfs/dbraw/zinc/02/11/54/539021154.db2.gz YMJLDIVXVRQTCG-MRVPVSSYSA-N 1 0 207.277 1.730 10 0 BDAERO O=C1N(Cc2ccccc2)CC[C@]12CC[NH2+]2 ZINC000238653466 259325558 /nfs/dbraw/zinc/32/55/58/259325558.db2.gz AIBXTLDGJCXOSY-CYBMUJFWSA-N 1 0 216.284 1.151 10 0 BDAERO c1csc(N[C@@H]2CC[N@@H+]3CCC[C@H]23)n1 ZINC000042338225 361980845 /nfs/dbraw/zinc/98/08/45/361980845.db2.gz PGOXLSBRTIWMEU-RKDXNWHRSA-N 1 0 209.318 1.792 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)[C@@H](C)C1 ZINC000390495735 539022478 /nfs/dbraw/zinc/02/24/78/539022478.db2.gz RVWQOZHKRYYOGY-UKJIMTQDSA-N 1 0 224.348 1.489 10 0 BDAERO Cc1cnn(CC[NH2+]C2CC(C(F)F)C2)c1 ZINC000390644961 539026778 /nfs/dbraw/zinc/02/67/78/539026778.db2.gz NRWGGLAOEXQHDM-UHFFFAOYSA-N 1 0 229.274 1.825 10 0 BDAERO O=C(C[C@H]1[NH2+]CCc2occc21)NC1CC1 ZINC000709936128 539027841 /nfs/dbraw/zinc/02/78/41/539027841.db2.gz DGHLKMAFWZYRPO-SNVBAGLBSA-N 1 0 220.272 1.135 10 0 BDAERO C[C@@H]1CC[C@H](N2C(=O)c3ccccc3C2=O)C[NH2+]1 ZINC000164785961 342839628 /nfs/dbraw/zinc/83/96/28/342839628.db2.gz PXRDPOUVFRMJHW-ZJUUUORDSA-N 1 0 244.294 1.423 10 0 BDAERO CS(=O)(=O)c1ccc(SC(N)=[NH2+])cc1 ZINC000069763838 342839713 /nfs/dbraw/zinc/83/97/13/342839713.db2.gz YJRXLRBMSLMOJV-UHFFFAOYSA-N 1 0 230.314 1.076 10 0 BDAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@H](O)C2)cc1 ZINC000037000978 398298431 /nfs/dbraw/zinc/29/84/31/398298431.db2.gz HZMMJRRINMYNBX-OLZOCXBDSA-N 1 0 248.326 1.179 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]CC1(F)CC1 ZINC000389351992 539016132 /nfs/dbraw/zinc/01/61/32/539016132.db2.gz OLGZGWQFJDISEC-UWVGGRQHSA-N 1 0 201.285 1.629 10 0 BDAERO CC[N@H+]1C[C@H](Nc2ncccn2)[C@@H](C)C1 ZINC000389999741 539019439 /nfs/dbraw/zinc/01/94/39/539019439.db2.gz RYOSZFXKUHRLCQ-UWVGGRQHSA-N 1 0 206.293 1.229 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCCSCC1 ZINC000042444420 362000220 /nfs/dbraw/zinc/00/02/20/362000220.db2.gz HZCGYHKCHBDIJW-NXEZZACHSA-N 1 0 201.335 1.339 10 0 BDAERO [NH3+]C/C=C\C(=O)Nc1cccc(Cl)n1 ZINC000308524708 342853779 /nfs/dbraw/zinc/85/37/79/342853779.db2.gz ARNOVLVBPFRTFZ-DJWKRKHSSA-N 1 0 211.652 1.188 10 0 BDAERO COC(C)(C)CNC1=[NH+][C@H](C)CS1 ZINC000165025965 342869885 /nfs/dbraw/zinc/86/98/85/342869885.db2.gz YNWGRQLZKZLKGQ-SSDOTTSWSA-N 1 0 202.323 1.492 10 0 BDAERO O=C1CCCN1CCC[NH2+]CCc1ccccc1 ZINC000013728072 342870826 /nfs/dbraw/zinc/87/08/26/342870826.db2.gz PZVCPOTWTXZAOY-UHFFFAOYSA-N 1 0 246.354 1.831 10 0 BDAERO C[NH2+][C@H]1CSC[C@H]1Cc1nc(C)cs1 ZINC000134587162 342871137 /nfs/dbraw/zinc/87/11/37/342871137.db2.gz JWURBJGYLNIZCK-BDAKNGLRSA-N 1 0 228.386 1.945 10 0 BDAERO CC[NH2+]CCOCOCc1ccccc1 ZINC000233521979 342871414 /nfs/dbraw/zinc/87/14/14/342871414.db2.gz ODTNQCHSEWUCJV-UHFFFAOYSA-N 1 0 209.289 1.787 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@@H]1CSC[C@H]1C ZINC000309776777 342895561 /nfs/dbraw/zinc/89/55/61/342895561.db2.gz PYOMCMYRZPCGRK-RKDXNWHRSA-N 1 0 241.364 1.095 10 0 BDAERO C[C@H]1CC[C@]2(CO1)[NH2+]C(C)(C)CS2 ZINC000401664932 342896841 /nfs/dbraw/zinc/89/68/41/342896841.db2.gz NQKUYODWAXOAQR-WPRPVWTQSA-N 1 0 201.335 1.997 10 0 BDAERO CC(C)(C)[C@H](O)[C@H]([NH3+])c1ccccc1C=O ZINC000309155711 342898108 /nfs/dbraw/zinc/89/81/08/342898108.db2.gz QBXCYCWKIHCYGL-VXGBXAGGSA-N 1 0 221.300 1.906 10 0 BDAERO C[C@@H]1C[NH2+]C[C@]2(C1)NCC[C@H](C)S2 ZINC000401700423 342908574 /nfs/dbraw/zinc/90/85/74/342908574.db2.gz ODYHSGVQCQOMID-LPEHRKFASA-N 1 0 200.351 1.427 10 0 BDAERO CCN(c1nc(Cl)cs1)C1C[NH2+]C1 ZINC000165322701 342910701 /nfs/dbraw/zinc/91/07/01/342910701.db2.gz JDPXBJNDNDJLFE-UHFFFAOYSA-N 1 0 217.725 1.595 10 0 BDAERO C[C@@H]1C[NH2+][C@]2(CC[C@H](C)OC2)SC1 ZINC000401671217 342900588 /nfs/dbraw/zinc/90/05/88/342900588.db2.gz QXNIXUWKTQFWTD-KXUCPTDWSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]1OCC[C@@H]1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000300612118 398324084 /nfs/dbraw/zinc/32/40/84/398324084.db2.gz GXODINNDYLCHTL-XJFOESAGSA-N 1 0 238.375 1.580 10 0 BDAERO CC1(C)C[C@H]1[NH2+]C[C@H]1CSCCN1 ZINC000127122341 342923509 /nfs/dbraw/zinc/92/35/09/342923509.db2.gz BULDMLOHOCPPGD-DTWKUNHWSA-N 1 0 200.351 1.080 10 0 BDAERO CCOC(=O)N1CC[NH2+]C[C@H]1C(C)(C)C ZINC000407355347 342926696 /nfs/dbraw/zinc/92/66/96/342926696.db2.gz DPKMNPWZDCMXQZ-VIFPVBQESA-N 1 0 214.309 1.463 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccncc1 ZINC000105780758 398324878 /nfs/dbraw/zinc/32/48/78/398324878.db2.gz SNHGFOVRNVVXCE-WCQYABFASA-N 1 0 235.331 1.063 10 0 BDAERO Cc1cnn([C@@H](C[NH3+])c2ccsc2)c1 ZINC000043124194 342928795 /nfs/dbraw/zinc/92/87/95/342928795.db2.gz XNLSOKNOBXOXSF-JTQLQIEISA-N 1 0 207.302 1.801 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CCOc2ccccc21 ZINC000037608391 398332478 /nfs/dbraw/zinc/33/24/78/398332478.db2.gz XBTORAGQZDSZHO-KOLCDFICSA-N 1 0 234.299 1.364 10 0 BDAERO CN(CC(F)(F)F)C(=O)C1CCC([NH3+])CC1 ZINC000037664985 398333995 /nfs/dbraw/zinc/33/39/95/398333995.db2.gz YGAULAFMSGLLEA-UHFFFAOYSA-N 1 0 238.253 1.525 10 0 BDAERO CO[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)C(C)C ZINC000381283524 398339940 /nfs/dbraw/zinc/33/99/40/398339940.db2.gz LUJIYUHGEGPQGK-MNOVXSKESA-N 1 0 230.352 1.147 10 0 BDAERO CC[C@H](C)[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000381310396 398340621 /nfs/dbraw/zinc/34/06/21/398340621.db2.gz TXAMPSYYAWQIIX-MJBXVCDLSA-N 1 0 240.391 1.828 10 0 BDAERO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1C[C@H]1C ZINC000309801819 342944513 /nfs/dbraw/zinc/94/45/13/342944513.db2.gz RHKGKRYVPIJDKJ-LDYMZIIASA-N 1 0 222.336 1.293 10 0 BDAERO COCCC[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000177731473 536666950 /nfs/dbraw/zinc/66/69/50/536666950.db2.gz KBAXGUJKYRKJKB-QWHCGFSZSA-N 1 0 244.379 1.112 10 0 BDAERO C[C@@H]1C[NH+](C[C@@H]2CCC[C@@H](O)C2)C[C@@H](C)O1 ZINC000381474896 398344805 /nfs/dbraw/zinc/34/48/05/398344805.db2.gz NRDVDMUUPWLLJM-FDYHWXHSSA-N 1 0 227.348 1.647 10 0 BDAERO COC(=O)CCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313361766 259333555 /nfs/dbraw/zinc/33/35/55/259333555.db2.gz LVKYAAJTXGGAOE-ZDUSSCGKSA-N 1 0 248.326 1.196 10 0 BDAERO COCCC1(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000234819800 342954368 /nfs/dbraw/zinc/95/43/68/342954368.db2.gz JCBJDTNSJFBQCC-QWRGUYRKSA-N 1 0 240.347 1.047 10 0 BDAERO CC[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000053485877 346901737 /nfs/dbraw/zinc/90/17/37/346901737.db2.gz AKZIZMMKOBXFIH-QWRGUYRKSA-N 1 0 200.326 1.095 10 0 BDAERO [NH3+][C@H]1Cc2cccc(Br)c2[C@H]1O ZINC000019795392 342957796 /nfs/dbraw/zinc/95/77/96/342957796.db2.gz LDNYPLJRFAEWDF-CBAPKCEASA-N 1 0 228.089 1.366 10 0 BDAERO COC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304582590 259335305 /nfs/dbraw/zinc/33/53/05/259335305.db2.gz OJPWSROGTQOLNW-HBNTYKKESA-N 1 0 225.332 1.964 10 0 BDAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000020133306 342970911 /nfs/dbraw/zinc/97/09/11/342970911.db2.gz OEQRCJNYXISDFM-KXUCPTDWSA-N 1 0 219.350 1.198 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]CCN2CCOCC2)o1 ZINC000019954392 342964283 /nfs/dbraw/zinc/96/42/83/342964283.db2.gz OKBMQGSDWBWGMC-LBPRGKRZSA-N 1 0 238.331 1.571 10 0 BDAERO CCN(CC)S(=O)(=O)c1ccsc1C[NH3+] ZINC000020608635 342992177 /nfs/dbraw/zinc/99/21/77/342992177.db2.gz UABRNBOOTDMVDN-UHFFFAOYSA-N 1 0 248.373 1.237 10 0 BDAERO CCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000187711725 342985861 /nfs/dbraw/zinc/98/58/61/342985861.db2.gz JFNRSGJUSPALPA-MELADBBJSA-N 1 0 240.391 1.828 10 0 BDAERO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](C)C1 ZINC000260601652 349737884 /nfs/dbraw/zinc/73/78/84/349737884.db2.gz RBAKFKVPGWYULL-QWHCGFSZSA-N 1 0 233.311 1.895 10 0 BDAERO Cc1ccc(C)c(NC(=O)CSCC[NH3+])c1 ZINC000019687291 178480431 /nfs/dbraw/zinc/48/04/31/178480431.db2.gz BIQOXNLQPANOPQ-UHFFFAOYSA-N 1 0 238.356 1.934 10 0 BDAERO C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@@H]1[NH3+] ZINC000235374485 343011279 /nfs/dbraw/zinc/01/12/79/343011279.db2.gz ZWGOPRZKXZETLH-KOLCDFICSA-N 1 0 243.310 1.587 10 0 BDAERO C[C@H]([C@H](C)[NH3+])n1ccc(C(F)(F)F)n1 ZINC000043298393 343040314 /nfs/dbraw/zinc/04/03/14/343040314.db2.gz BCWVNFLLINRDSC-NTSWFWBYSA-N 1 0 207.199 1.810 10 0 BDAERO Nc1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000021994726 343032761 /nfs/dbraw/zinc/03/27/61/343032761.db2.gz SXVGYLUSQYUCDR-UHFFFAOYSA-N 1 0 230.315 1.714 10 0 BDAERO CC1CC(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C1 ZINC000309517269 259343314 /nfs/dbraw/zinc/34/33/14/259343314.db2.gz SDUCEQCBELFUIQ-SEQHWMEXSA-N 1 0 210.321 1.241 10 0 BDAERO CCc1cnc(CN[C@@H](C)[C@@H]2CC[NH2+]C2)s1 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/nfs/dbraw/zinc/54/08/37/178540837.db2.gz PDGDGKLDSHKOIY-UHFFFAOYSA-N 1 0 206.289 1.221 10 0 BDAERO c1cc2cc([C@H]3CCOCC[NH2+]3)ccc2nn1 ZINC000616659905 343532975 /nfs/dbraw/zinc/53/29/75/343532975.db2.gz SAUCNSDLIULVNT-GFCCVEGCSA-N 1 0 229.283 1.681 10 0 BDAERO CCOC(=O)N1C[C@H]([NH2+]C)Cc2ccccc21 ZINC000616671586 343534985 /nfs/dbraw/zinc/53/49/85/343534985.db2.gz ROGUUBPXLCWPSS-LLVKDONJSA-N 1 0 234.299 1.794 10 0 BDAERO CC(C)[C@@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616691542 343538964 /nfs/dbraw/zinc/53/89/64/343538964.db2.gz DYXPRSSPDVHWIJ-LBPRGKRZSA-N 1 0 219.332 1.902 10 0 BDAERO [NH3+][C@@H](CO)Cc1ccc(Cl)cc1Cl ZINC000044463651 343501837 /nfs/dbraw/zinc/50/18/37/343501837.db2.gz YAAHVYMDWVLVEW-MRVPVSSYSA-N 1 0 220.099 1.856 10 0 BDAERO C[C@H]([NH3+])[C@H](N)c1ccc(Br)cc1 ZINC000047845227 343566769 /nfs/dbraw/zinc/56/67/69/343566769.db2.gz KPXSLYDRCRQFRW-RCOVLWMOSA-N 1 0 229.121 1.796 10 0 BDAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624237436 343583105 /nfs/dbraw/zinc/58/31/05/343583105.db2.gz XUMNKERXJUKYMW-XQHKEYJVSA-N 1 0 241.375 1.941 10 0 BDAERO Cn1nncc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712512310 537787307 /nfs/dbraw/zinc/78/73/07/537787307.db2.gz DOANHRDLAPWMBJ-VIFPVBQESA-N 1 0 220.301 1.112 10 0 BDAERO COCCSCCC[NH2+][C@@H](C)COC ZINC000379612454 343584390 /nfs/dbraw/zinc/58/43/90/343584390.db2.gz VPYDMFCFCPYAHY-JTQLQIEISA-N 1 0 221.366 1.381 10 0 BDAERO c1cc2c(s1)[C@]1(CCCOC1)[NH2+]CC2 ZINC000712536761 537791074 /nfs/dbraw/zinc/79/10/74/537791074.db2.gz NHZDVPHXOVZSPV-LLVKDONJSA-N 1 0 209.314 1.900 10 0 BDAERO C[C@@H]([C@@H](O)c1ccncc1)[NH+]1CCCCC1 ZINC000167801507 343606694 /nfs/dbraw/zinc/60/66/94/343606694.db2.gz JRLHXMOHRZSAAG-WCQYABFASA-N 1 0 220.316 1.989 10 0 BDAERO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000399207720 488226661 /nfs/dbraw/zinc/22/66/61/488226661.db2.gz DUFOGPMXHPLDPC-NDBYEHHHSA-N 1 0 227.348 1.383 10 0 BDAERO CCCCN(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087121676 343637908 /nfs/dbraw/zinc/63/79/08/343637908.db2.gz RRBOKPBFQCOICO-QWRGUYRKSA-N 1 0 212.337 1.633 10 0 BDAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccc(O)cc1 ZINC000054685485 343689946 /nfs/dbraw/zinc/68/99/46/343689946.db2.gz RKURTQVWXSRGCI-HUUCEWRRSA-N 1 0 243.306 1.996 10 0 BDAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1cccnc1 ZINC000054685542 343690499 /nfs/dbraw/zinc/69/04/99/343690499.db2.gz LOFZGBLIVGSZRQ-ZIAGYGMSSA-N 1 0 228.295 1.685 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339509065 343701096 /nfs/dbraw/zinc/70/10/96/343701096.db2.gz LNTNOENADQAWGN-LBPRGKRZSA-N 1 0 229.364 1.942 10 0 BDAERO FC(F)[C@@H]1CC[NH+]=C2N[C@H]3CCCC[C@H]3N21 ZINC000300015347 537802789 /nfs/dbraw/zinc/80/27/89/537802789.db2.gz HLSQARBKHPTUTI-YIZRAAEISA-N 1 0 229.274 1.596 10 0 BDAERO COc1cc(O)cc(OC)c1[C@@H]1CCC[NH2+]1 ZINC000309543545 343723936 /nfs/dbraw/zinc/72/39/36/343723936.db2.gz HVUINAKHPMCXOX-VIFPVBQESA-N 1 0 223.272 1.834 10 0 BDAERO Cc1nc(C[NH3+])cc(-c2ccccn2)n1 ZINC000020384250 343775204 /nfs/dbraw/zinc/77/52/04/343775204.db2.gz NXDDPTYRCDMPTO-UHFFFAOYSA-N 1 0 200.245 1.306 10 0 BDAERO CC[C@H](C)[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000089678135 343748391 /nfs/dbraw/zinc/74/83/91/343748391.db2.gz NHPBWZMZWXDQLK-CMPLNLGQSA-N 1 0 212.337 1.238 10 0 BDAERO Cn1cc(-c2ccc(F)c(C[NH3+])c2)cn1 ZINC000038073073 343783050 /nfs/dbraw/zinc/78/30/50/343783050.db2.gz WMPQJYOMCBHZRH-UHFFFAOYSA-N 1 0 205.236 1.685 10 0 BDAERO Cn1c(CC2CC[NH2+]CC2)nc2cccnc21 ZINC000093678483 343784841 /nfs/dbraw/zinc/78/48/41/343784841.db2.gz OXGWFJQOIGGBSS-UHFFFAOYSA-N 1 0 230.315 1.510 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](C2CC2)C1 ZINC000144133445 343786063 /nfs/dbraw/zinc/78/60/63/343786063.db2.gz AODHHHHJHRBGHB-NXEZZACHSA-N 1 0 226.320 1.591 10 0 BDAERO C[NH2+][C@@H]1CCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000109495205 343786367 /nfs/dbraw/zinc/78/63/67/343786367.db2.gz VPQGSNGBUCBCQT-GHMZBOCLSA-N 1 0 244.298 1.987 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1[NH3+] ZINC000215314323 343792695 /nfs/dbraw/zinc/79/26/95/343792695.db2.gz HMAUGCHVYGNMEL-DTWKUNHWSA-N 1 0 214.309 1.733 10 0 BDAERO CC[C@](C)(C[NH3+])[C@@H](O)[C@H]1CCSC1 ZINC000300234727 537814707 /nfs/dbraw/zinc/81/47/07/537814707.db2.gz WXGRCCJHEJLCSS-LPEHRKFASA-N 1 0 203.351 1.475 10 0 BDAERO CC(C)N(C(=O)O[C@H]1CCC[NH2+]C1)C(C)C ZINC000231561789 343794186 /nfs/dbraw/zinc/79/41/86/343794186.db2.gz GYUHUXVBQNSVMW-NSHDSACASA-N 1 0 228.336 1.994 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H](C(F)(F)F)C1 ZINC000304437617 343797544 /nfs/dbraw/zinc/79/75/44/343797544.db2.gz SGBWCTROJDSDPF-HTQZYQBOSA-N 1 0 236.237 1.007 10 0 BDAERO CCN(C(=O)[C@H]1CCC[NH2+]1)C1CCSCC1 ZINC000409426812 343798888 /nfs/dbraw/zinc/79/88/88/343798888.db2.gz DAYLBEOZYNDRAW-LLVKDONJSA-N 1 0 242.388 1.483 10 0 BDAERO CC1(CF)CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000409426966 343799577 /nfs/dbraw/zinc/79/95/77/343799577.db2.gz DJSCHRRXODZUJY-NSHDSACASA-N 1 0 242.338 1.727 10 0 BDAERO CC[C@@H](C)c1cc(N2CC[NH2+]CC2)nc(C)n1 ZINC000409427714 343801502 /nfs/dbraw/zinc/80/15/02/343801502.db2.gz BVKSVVAITCYKHT-SNVBAGLBSA-N 1 0 234.347 1.708 10 0 BDAERO CCOc1cccc([C@H]2C[NH2+]C[C@@H]2N)c1 ZINC000409422941 343814376 /nfs/dbraw/zinc/81/43/76/343814376.db2.gz NBRKGCXYEGOJKJ-NEPJUHHUSA-N 1 0 206.289 1.099 10 0 BDAERO [NH3+]C1CN(C(=O)CCCCc2ccccc2)C1 ZINC000409423047 343814883 /nfs/dbraw/zinc/81/48/83/343814883.db2.gz KXQGNBWNNUTUHI-UHFFFAOYSA-N 1 0 232.327 1.569 10 0 BDAERO C[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409423724 343815859 /nfs/dbraw/zinc/81/58/59/343815859.db2.gz AIGGJANGYDBPEA-CIUDSAMLSA-N 1 0 232.274 1.227 10 0 BDAERO CCOC[C@H]1CCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000409432746 343827706 /nfs/dbraw/zinc/82/77/06/343827706.db2.gz WHMRVQRYSUGWQL-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO FC[C@@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)OCO2 ZINC000409423880 343816210 /nfs/dbraw/zinc/81/62/10/343816210.db2.gz VILXRYMLMJLMAU-NXEZZACHSA-N 1 0 223.247 1.688 10 0 BDAERO CCOc1cccc2c1CCN2CCC[NH3+] ZINC000409424929 343817888 /nfs/dbraw/zinc/81/78/88/343817888.db2.gz DNBAJOJEQQOVRJ-UHFFFAOYSA-N 1 0 220.316 1.797 10 0 BDAERO CC(F)(F)[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000409425781 343820318 /nfs/dbraw/zinc/82/03/18/343820318.db2.gz GVTGFVPNJOWBTP-SECBINFHSA-N 1 0 232.274 1.100 10 0 BDAERO COC[C@@]12CN(C(=O)CC[NH3+])C[C@@H]1CCCC2 ZINC000409426308 343822046 /nfs/dbraw/zinc/82/20/46/343822046.db2.gz BXWUHPZJHMBTFT-WCQYABFASA-N 1 0 240.347 1.000 10 0 BDAERO CC[C@H](C)Nc1cc(OCC[NH3+])ncn1 ZINC000409431618 343824014 /nfs/dbraw/zinc/82/40/14/343824014.db2.gz XQYOOTOIYWKKOR-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BDAERO CCCCCNc1cc(OCC[NH3+])ncn1 ZINC000409429160 343804573 /nfs/dbraw/zinc/80/45/73/343804573.db2.gz DEPPMCSHUHBTJY-UHFFFAOYSA-N 1 0 224.308 1.416 10 0 BDAERO Cc1nc(C(F)F)cc(N2CC[NH2+]CC2)n1 ZINC000409429335 343805145 /nfs/dbraw/zinc/80/51/45/343805145.db2.gz JEBIDJYDHOVGJS-UHFFFAOYSA-N 1 0 228.246 1.132 10 0 BDAERO [NH3+]C[C@]12CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000409430127 343807742 /nfs/dbraw/zinc/80/77/42/343807742.db2.gz LIIHLGGEVZMUBJ-KGLIPLIRSA-N 1 0 216.328 1.857 10 0 BDAERO COCc1ccc2c(c1)CCN2C(=O)CC[NH3+] ZINC000409430692 343808785 /nfs/dbraw/zinc/80/87/85/343808785.db2.gz IUJKRIDAPDJIPA-UHFFFAOYSA-N 1 0 234.299 1.071 10 0 BDAERO c1cn(C[C@@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000409441019 343854921 /nfs/dbraw/zinc/85/49/21/343854921.db2.gz PGJDOVBSGXOADK-LBPRGKRZSA-N 1 0 228.299 1.697 10 0 BDAERO Cc1cc(-c2cccs2)nn1CC(N)=[NH2+] ZINC000409441080 343855195 /nfs/dbraw/zinc/85/51/95/343855195.db2.gz QBNUACZWXUGWBD-UHFFFAOYSA-N 1 0 220.301 1.856 10 0 BDAERO NC(=[NH2+])SCc1nnsc1Cl ZINC000024514490 346995076 /nfs/dbraw/zinc/99/50/76/346995076.db2.gz ZCXNWGPHUICDJC-UHFFFAOYSA-N 1 0 208.699 1.318 10 0 BDAERO COC[C@@H]1CN(CC(=[NH2+])NO)CC12CCCC2 ZINC000409433674 343829854 /nfs/dbraw/zinc/82/98/54/343829854.db2.gz NDWOQBGGXLJXLT-JTQLQIEISA-N 1 0 241.335 1.081 10 0 BDAERO COC[C@@]12C[N@H+](CCO)C[C@@H]1CCCC2 ZINC000409436097 343837222 /nfs/dbraw/zinc/83/72/22/343837222.db2.gz YCPMDYJOCXTYSM-NWDGAFQWSA-N 1 0 213.321 1.117 10 0 BDAERO CCn1cc(CC[NH3+])c(-c2cccnc2)n1 ZINC000409436772 343837647 /nfs/dbraw/zinc/83/76/47/343837647.db2.gz AJCMZERSJSPMSM-UHFFFAOYSA-N 1 0 216.288 1.466 10 0 BDAERO C[NH2+]Cc1cn(CCF)nc1-c1ccccn1 ZINC000409437537 343843601 /nfs/dbraw/zinc/84/36/01/343843601.db2.gz HYRXQYGNLNMODS-UHFFFAOYSA-N 1 0 234.278 1.634 10 0 BDAERO c1cn([C@@H]2CCC[NH2+]C2)nc1-c1ccncc1 ZINC000409439125 343846421 /nfs/dbraw/zinc/84/64/21/343846421.db2.gz HEKRZTATLPGYIT-GFCCVEGCSA-N 1 0 228.299 1.870 10 0 BDAERO Nc1cc(-c2cccs2)nn1C[C@@H]1CCC[NH2+]1 ZINC000409437786 343849009 /nfs/dbraw/zinc/84/90/09/343849009.db2.gz ITVCWDIPZLTPJX-VIFPVBQESA-N 1 0 248.355 1.946 10 0 BDAERO CCc1[nH]nc(-c2ccccn2)c1CC[NH3+] ZINC000409437928 343849278 /nfs/dbraw/zinc/84/92/78/343849278.db2.gz BBIPDQMKGPRWDR-UHFFFAOYSA-N 1 0 216.288 1.535 10 0 BDAERO [NH3+]CCc1c2c(nn1CC1CC1)CCCC2 ZINC000409440385 343851949 /nfs/dbraw/zinc/85/19/49/343851949.db2.gz SSZATVNKQZAIKM-UHFFFAOYSA-N 1 0 219.332 1.673 10 0 BDAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCOC2)C[C@@H](C)O1 ZINC000336733215 537832522 /nfs/dbraw/zinc/83/25/22/537832522.db2.gz GIUDFYZFZIBJRP-NQBHXWOUSA-N 1 0 227.348 1.959 10 0 BDAERO CCn1nc(-c2ccccn2)cc1C[NH2+]C ZINC000409443590 343861993 /nfs/dbraw/zinc/86/19/93/343861993.db2.gz PYQBCNDUGMCACD-UHFFFAOYSA-N 1 0 216.288 1.684 10 0 BDAERO [NH3+]Cc1cc(-c2ccccn2)nn1CC1CC1 ZINC000409443640 343862259 /nfs/dbraw/zinc/86/22/59/343862259.db2.gz QRLVIYPRQOIAED-UHFFFAOYSA-N 1 0 228.299 1.814 10 0 BDAERO CCn1nc(-c2ccccc2)cc1C(N)=[NH2+] ZINC000409443847 343863490 /nfs/dbraw/zinc/86/34/90/343863490.db2.gz VIUNDLWRZJIFKP-UHFFFAOYSA-N 1 0 214.272 1.854 10 0 BDAERO OCc1cc([C@@H]2CCCC[NH2+]2)nn1CC1CC1 ZINC000409443830 343863513 /nfs/dbraw/zinc/86/35/13/343863513.db2.gz VBAAXCRXZJCDCP-LBPRGKRZSA-N 1 0 235.331 1.600 10 0 BDAERO CCn1nc(-c2ccncc2)cc1CC[NH3+] ZINC000409443155 343866171 /nfs/dbraw/zinc/86/61/71/343866171.db2.gz HWTSLKNISUOXOK-UHFFFAOYSA-N 1 0 216.288 1.466 10 0 BDAERO CCn1nc(-c2cccnc2)cc1CC[NH3+] ZINC000409443484 343867203 /nfs/dbraw/zinc/86/72/03/343867203.db2.gz NTVCXHRXECGYSR-UHFFFAOYSA-N 1 0 216.288 1.466 10 0 BDAERO Cc1n[nH]cc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000393605791 343899595 /nfs/dbraw/zinc/89/95/95/343899595.db2.gz FVUBZYLEZZGNLE-JTQLQIEISA-N 1 0 211.309 1.215 10 0 BDAERO Cc1ccc(C[NH2+]C[C@H]2CCCO2)cc1N ZINC000040410306 178611474 /nfs/dbraw/zinc/61/14/74/178611474.db2.gz YFDFNESHQWPDEU-GFCCVEGCSA-N 1 0 220.316 1.846 10 0 BDAERO [NH3+]Cc1ccc(Oc2nncs2)cc1 ZINC000069967998 343945152 /nfs/dbraw/zinc/94/51/52/343945152.db2.gz RDBHEDHTATWVIZ-UHFFFAOYSA-N 1 0 207.258 1.789 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCCN(c2nncs2)C1 ZINC000069967625 343945288 /nfs/dbraw/zinc/94/52/88/343945288.db2.gz KLTVRVNAJIHMDW-SFYZADRCSA-N 1 0 212.322 1.102 10 0 BDAERO CC[C@H]([NH3+])c1noc([C@@H]2CCSC2)n1 ZINC000070004656 343946040 /nfs/dbraw/zinc/94/60/40/343946040.db2.gz KKVMGJYONGUJRF-RQJHMYQMSA-N 1 0 213.306 1.700 10 0 BDAERO C[C@H]1C[C@@H]1C[NH2+]Cc1cnc2ccnn2c1 ZINC000309825520 343971252 /nfs/dbraw/zinc/97/12/52/343971252.db2.gz XHFONYIPCQJPJD-GXSJLCMTSA-N 1 0 216.288 1.475 10 0 BDAERO C[NH2+][C@H](C)c1csc(=NC(=O)OC)[nH]1 ZINC000070885589 343956936 /nfs/dbraw/zinc/95/69/36/343956936.db2.gz YRHPIPLHXWMLNK-RXMQYKEDSA-N 1 0 215.278 1.602 10 0 BDAERO CC[C@@H](C)C[NH2+][C@H]1CCCn2ncnc21 ZINC000093080476 343962834 /nfs/dbraw/zinc/96/28/34/343962834.db2.gz UPQLHRFIKJKIPX-ZJUUUORDSA-N 1 0 208.309 1.749 10 0 BDAERO C[NH2+][C@@H]1CC[C@@H](Sc2ncc[nH]2)[C@@H]1C ZINC000234427190 343965986 /nfs/dbraw/zinc/96/59/86/343965986.db2.gz ASFGGCOWWIFOJI-IWSPIJDZSA-N 1 0 211.334 1.888 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000395085816 344064980 /nfs/dbraw/zinc/06/49/80/344064980.db2.gz VOAMBVYXHZYASZ-MFKMUULPSA-N 1 0 231.299 1.298 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282349689 178631303 /nfs/dbraw/zinc/63/13/03/178631303.db2.gz MSPVVYFJQIIKRH-AAEUAGOBSA-N 1 0 232.327 1.752 10 0 BDAERO CC(C)C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(C)C ZINC000616569236 344169741 /nfs/dbraw/zinc/16/97/41/344169741.db2.gz HGDSCYXDEIJOSJ-VXGBXAGGSA-N 1 0 226.364 1.783 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]CC[C@H]1F ZINC000616568959 344170546 /nfs/dbraw/zinc/17/05/46/344170546.db2.gz JDXULPYBAYEORK-RKDXNWHRSA-N 1 0 232.299 1.553 10 0 BDAERO CC(C)CN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634737237 344134865 /nfs/dbraw/zinc/13/48/65/344134865.db2.gz MBVYLFYWVCUTKZ-AAEUAGOBSA-N 1 0 224.348 1.491 10 0 BDAERO CCN1CCO[C@H](C[NH2+]Cc2ccco2)C1 ZINC000082491740 344156211 /nfs/dbraw/zinc/15/62/11/344156211.db2.gz OMICLZOTQFPTHP-GFCCVEGCSA-N 1 0 224.304 1.090 10 0 BDAERO COCCC[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000234615444 344156858 /nfs/dbraw/zinc/15/68/58/344156858.db2.gz ABULUPXBMIBKPC-SNVBAGLBSA-N 1 0 246.351 1.526 10 0 BDAERO OCCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128686956 344207711 /nfs/dbraw/zinc/20/77/11/344207711.db2.gz LXSRMRZVXADNKH-NWDGAFQWSA-N 1 0 223.320 1.339 10 0 BDAERO O=C1CCCC[C@@H]1C[N@H+]1CCC[C@@H](O)C1 ZINC000226960736 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1 0 220.729 1.554 10 0 BDAERO O[C@H]1C=C(c2cnc(C3CC3)s2)C[NH2+]C1 ZINC000675077483 537893368 /nfs/dbraw/zinc/89/33/68/537893368.db2.gz NCCPZTAUTLGGGQ-VIFPVBQESA-N 1 0 222.313 1.368 10 0 BDAERO CN(C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000148201639 345323894 /nfs/dbraw/zinc/32/38/94/345323894.db2.gz INHACALUUNSFSB-UHFFFAOYSA-N 1 0 205.183 1.989 10 0 BDAERO C[C@@H]1CN2C(=[NH+][C@H](C)C[C@H]2C(F)F)N1 ZINC000720978138 537895582 /nfs/dbraw/zinc/89/55/82/537895582.db2.gz QKODRPPRHXYVHA-QYNIQEEDSA-N 1 0 203.236 1.062 10 0 BDAERO c1cc(-c2ccc(C[NH2+]C3COC3)cc2)n[nH]1 ZINC000158733522 345371589 /nfs/dbraw/zinc/37/15/89/345371589.db2.gz NEIFTXHCXDFIRX-UHFFFAOYSA-N 1 0 229.283 1.565 10 0 BDAERO C[C@@H]1C[C@H](n2cccc2C=O)CC[N@@H+]1C ZINC000158805126 345410796 /nfs/dbraw/zinc/41/07/96/345410796.db2.gz LNMFUYFPLLAEPW-GHMZBOCLSA-N 1 0 206.289 1.956 10 0 BDAERO C[C@H](c1nccs1)N1CC[NH2+]C[C@H]1C ZINC000251811729 345507503 /nfs/dbraw/zinc/50/75/03/345507503.db2.gz ONHBGHVSIPOVLY-RKDXNWHRSA-N 1 0 211.334 1.498 10 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[NH3+]C[C@H]1C[C@@]1(CO)c1ccc(Cl)cc1 ZINC000675079062 537901547 /nfs/dbraw/zinc/90/15/47/537901547.db2.gz VKKZODYZHOEMSX-MWLCHTKSSA-N 1 0 211.692 1.549 10 0 BDAERO CCCC(=O)N(C)c1ccc(OCC[NH3+])cc1 ZINC000020225068 168534738 /nfs/dbraw/zinc/53/47/38/168534738.db2.gz OLJMYLFQCGTRBQ-UHFFFAOYSA-N 1 0 236.315 1.787 10 0 BDAERO Cc1ccc([C@H]([NH3+])c2cnn(C)c2)cc1 ZINC000026517003 178909494 /nfs/dbraw/zinc/90/94/94/178909494.db2.gz KVMRBTJPDSSTOS-LBPRGKRZSA-N 1 0 201.273 1.777 10 0 BDAERO CC(C)(OC(=O)C(F)(F)F)C1([NH3+])CCC1 ZINC000206099425 345757443 /nfs/dbraw/zinc/75/74/43/345757443.db2.gz YMBCMZVKKFCUJM-UHFFFAOYSA-N 1 0 225.210 1.752 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)CCC(=O)N1 ZINC000168451536 345812657 /nfs/dbraw/zinc/81/26/57/345812657.db2.gz SUHMUXANIRNCCH-LLVKDONJSA-N 1 0 218.300 1.397 10 0 BDAERO CC[N@@H+]1CCC[C@]12c1ccccc1NC2=O ZINC000033824252 345815815 /nfs/dbraw/zinc/81/58/15/345815815.db2.gz MSIOJTCPQQGQJO-CYBMUJFWSA-N 1 0 216.284 1.950 10 0 BDAERO OC[C@@]1(c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000221556338 345764888 /nfs/dbraw/zinc/76/48/88/345764888.db2.gz WATLLISLIIGXIS-LLVKDONJSA-N 1 0 211.692 1.563 10 0 BDAERO CSc1nccc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000257353187 345774267 /nfs/dbraw/zinc/77/42/67/345774267.db2.gz PTZSWNXJEYIFIY-KYZUINATSA-N 1 0 238.360 1.880 10 0 BDAERO [NH3+][C@H]1CC[C@H](Nc2ccnc(Cl)n2)CC1 ZINC000257354468 345774854 /nfs/dbraw/zinc/77/48/54/345774854.db2.gz XXNHZBQAIOYZJK-ZKCHVHJHSA-N 1 0 226.711 1.812 10 0 BDAERO c1nn([C@@H]2CCOC2)cc1C1CC[NH2+]CC1 ZINC000258532904 345784438 /nfs/dbraw/zinc/78/44/38/345784438.db2.gz PYRQJCBVFZMBFN-GFCCVEGCSA-N 1 0 221.304 1.312 10 0 BDAERO NC[C@H]([NH3+])CC1=Cc2cc(F)ccc2CC1 ZINC000141157994 345859033 /nfs/dbraw/zinc/85/90/33/345859033.db2.gz GWGPBRXLJIREAL-CYBMUJFWSA-N 1 0 220.291 1.831 10 0 BDAERO O=C1C[C@H](c2ccccc2)N1C1CC[NH2+]CC1 ZINC000141961415 345861761 /nfs/dbraw/zinc/86/17/61/345861761.db2.gz OLBHBWZDAZKFJL-CYBMUJFWSA-N 1 0 230.311 1.712 10 0 BDAERO CNC(=S)N(c1ccccc1)C1CC[NH2+]CC1 ZINC000168893490 345824442 /nfs/dbraw/zinc/82/44/42/345824442.db2.gz WIXUUIINJAKRCD-UHFFFAOYSA-N 1 0 249.383 1.749 10 0 BDAERO CC[C@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000181125589 345929305 /nfs/dbraw/zinc/92/93/05/345929305.db2.gz UDLJZDAORWKLIU-STQMWFEESA-N 1 0 237.347 1.691 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]([C@@H]2COC(C)(C)C2=O)C1 ZINC000307550336 537923301 /nfs/dbraw/zinc/92/33/01/537923301.db2.gz QYROAZKVYQGLDJ-KXUCPTDWSA-N 1 0 211.305 1.369 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000082790474 537921947 /nfs/dbraw/zinc/92/19/47/537921947.db2.gz LMJGMGIRUNCCGU-VHSXEESVSA-N 1 0 219.350 1.329 10 0 BDAERO CC[C@@H](C(=O)N1CC([NH3+])C1)c1ccccc1 ZINC000082590436 345910023 /nfs/dbraw/zinc/91/00/23/345910023.db2.gz AWOXHDRDBASCRJ-GFCCVEGCSA-N 1 0 218.300 1.350 10 0 BDAERO Cc1ccnc(CC[NH3+])c1Br ZINC000235808018 345915767 /nfs/dbraw/zinc/91/57/67/345915767.db2.gz UJICVPSLHXHAKS-UHFFFAOYSA-N 1 0 215.094 1.654 10 0 BDAERO Cc1nc(N2CCCCCC2)cc(N)[nH+]1 ZINC000087806028 345940737 /nfs/dbraw/zinc/94/07/37/345940737.db2.gz FTWQZFUDZSRFRI-UHFFFAOYSA-N 1 0 206.293 1.748 10 0 BDAERO c1cnc2c(c1)nc([C@H]1CC[NH2+]C1)n2C1CC1 ZINC000088872547 345945978 /nfs/dbraw/zinc/94/59/78/345945978.db2.gz HPQYBVGAOHZJMO-VIFPVBQESA-N 1 0 228.299 1.843 10 0 BDAERO Cc1cc(N[C@@H]2CC[NH2+]C2)cnc1Cl ZINC000235846089 345947010 /nfs/dbraw/zinc/94/70/10/345947010.db2.gz NOIDEFYXVAERAL-MRVPVSSYSA-N 1 0 211.696 1.817 10 0 BDAERO C[C@H]1CCC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000075606845 537929079 /nfs/dbraw/zinc/92/90/79/537929079.db2.gz JLUOFXYJQAYCQZ-CABZTGNLSA-N 1 0 205.305 1.961 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000082818568 537940219 /nfs/dbraw/zinc/94/02/19/537940219.db2.gz NJZLKXQXIPNBQY-RKDXNWHRSA-N 1 0 205.323 1.081 10 0 BDAERO CCCS(=O)(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000082818567 537940235 /nfs/dbraw/zinc/94/02/35/537940235.db2.gz NJZLKXQXIPNBQY-IUCAKERBSA-N 1 0 205.323 1.081 10 0 BDAERO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000685947537 537941215 /nfs/dbraw/zinc/94/12/15/537941215.db2.gz LSQQHLLTSUQRLH-PBINXNQUSA-N 1 0 217.334 1.094 10 0 BDAERO CCn1cc(-c2ccc(C)nc2C[NH3+])cn1 ZINC000669372295 537949853 /nfs/dbraw/zinc/94/98/53/537949853.db2.gz MSXWSYDEGROBFI-UHFFFAOYSA-N 1 0 216.288 1.732 10 0 BDAERO CC[C@@H]1CC[C@H](C)N1C(=O)n1cc[n+](C)c1 ZINC000136382773 346204464 /nfs/dbraw/zinc/20/44/64/346204464.db2.gz AFXYPNIPPAMHCT-WDEREUQCSA-N 1 0 222.312 1.544 10 0 BDAERO Cc1c(C[NH3+])cnn1-c1cccc(C)c1 ZINC000048218307 179001780 /nfs/dbraw/zinc/00/17/80/179001780.db2.gz BYROUTKLXMYXKO-UHFFFAOYSA-N 1 0 201.273 1.948 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)OC(C)(C)C ZINC000147615027 537954236 /nfs/dbraw/zinc/95/42/36/537954236.db2.gz LWHMXZHAXMXJDX-NXEZZACHSA-N 1 0 228.336 1.757 10 0 BDAERO Cn1nnc(Br)c1[C@@H]([NH3+])C(C)(C)C ZINC000236106810 346195952 /nfs/dbraw/zinc/19/59/52/346195952.db2.gz LYENSGMYIAREOB-ZCFIWIBFSA-N 1 0 247.140 1.624 10 0 BDAERO Cc1cccc(C(=O)CN2CC[NH2+]CC2)c1 ZINC000050145274 179004115 /nfs/dbraw/zinc/00/41/15/179004115.db2.gz CAZSXMYXNCOHHE-UHFFFAOYSA-N 1 0 218.300 1.083 10 0 BDAERO [NH3+]CCc1cn(COCc2ccccc2)cn1 ZINC000236258194 346216588 /nfs/dbraw/zinc/21/65/88/346216588.db2.gz JJUSSGUHZULRMJ-UHFFFAOYSA-N 1 0 231.299 1.559 10 0 BDAERO CCN1C(=O)C[C@H]([NH3+])[C@@H]1c1cccs1 ZINC000062209168 346217802 /nfs/dbraw/zinc/21/78/02/346217802.db2.gz LWVRQHJQIGJHII-OIBJUYFYSA-N 1 0 210.302 1.369 10 0 BDAERO O=C(Nc1cccc2c1C[NH2+]CC2)C(F)(F)F ZINC000167364285 346240559 /nfs/dbraw/zinc/24/05/59/346240559.db2.gz UMAGYLAWOPMNMK-UHFFFAOYSA-N 1 0 244.216 1.833 10 0 BDAERO Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1O ZINC000038049200 179021595 /nfs/dbraw/zinc/02/15/95/179021595.db2.gz PJLVURBICVUVEX-NWDGAFQWSA-N 1 0 248.326 1.700 10 0 BDAERO CC[C@H](C)n1ncc2c1nc(C)[nH+]c2NN ZINC000669377471 537964950 /nfs/dbraw/zinc/96/49/50/537964950.db2.gz QWHKCKPAHQXNCI-LURJTMIESA-N 1 0 220.280 1.391 10 0 BDAERO C[C@H](Oc1cccc(F)c1F)C(N)=[NH2+] ZINC000062615573 346292287 /nfs/dbraw/zinc/29/22/87/346292287.db2.gz HAAAXGABHSEDMM-YFKPBYRVSA-N 1 0 200.188 1.668 10 0 BDAERO C[C@H](C[NH3+])[C@H](O)c1ccncc1Br ZINC000669377698 537967209 /nfs/dbraw/zinc/96/72/09/537967209.db2.gz BQZWZOXYEDTNPC-MUWHJKNJSA-N 1 0 245.120 1.472 10 0 BDAERO Cc1cccc(CCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000334253707 179052778 /nfs/dbraw/zinc/05/27/78/179052778.db2.gz MGCIDQUXAOYBNY-GXTWGEPZSA-N 1 0 246.354 1.876 10 0 BDAERO Cc1cccc(CCC(=O)N[C@H]2C[C@H]2[NH3+])c1 ZINC000051986031 179054168 /nfs/dbraw/zinc/05/41/68/179054168.db2.gz YJWLEXYQYKPSTA-NEPJUHHUSA-N 1 0 218.300 1.143 10 0 BDAERO Cc1cccc(CCC(=O)N[C@@H]2C[C@H]2[NH3+])c1 ZINC000051986029 179054799 /nfs/dbraw/zinc/05/47/99/179054799.db2.gz YJWLEXYQYKPSTA-VXGBXAGGSA-N 1 0 218.300 1.143 10 0 BDAERO Cc1ncc2c(n1)CC[C@H]([NH2+]CC1CC1)C2 ZINC000381565195 346360478 /nfs/dbraw/zinc/36/04/78/346360478.db2.gz SZDZQOFRVZNTNZ-LBPRGKRZSA-N 1 0 217.316 1.642 10 0 BDAERO COCCC[N@@H+]1CCC[C@H]1CCCO ZINC000052761759 346373314 /nfs/dbraw/zinc/37/33/14/346373314.db2.gz YWPAUBJZBLVJRB-NSHDSACASA-N 1 0 201.310 1.260 10 0 BDAERO [NH3+][C@H]1CCN(CC(=O)C2CCCCC2)C1 ZINC000158238883 346391677 /nfs/dbraw/zinc/39/16/77/346391677.db2.gz FFKVPGIGKOGNRA-NSHDSACASA-N 1 0 210.321 1.169 10 0 BDAERO Cc1cccc(CNC(=O)[C@H]([NH3+])C(C)(C)C)n1 ZINC000161107422 179087180 /nfs/dbraw/zinc/08/71/80/179087180.db2.gz CQXAWZSVMNHCQX-NSHDSACASA-N 1 0 235.331 1.380 10 0 BDAERO COc1ccc(C[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC000575153724 346436130 /nfs/dbraw/zinc/43/61/30/346436130.db2.gz KKFLKPXKVMFCDL-DRZSPHRISA-N 1 0 203.285 1.846 10 0 BDAERO CC[C@H](N[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C(=O)OC ZINC000725241933 537980416 /nfs/dbraw/zinc/98/04/16/537980416.db2.gz WVWWOUUQCJSMFE-UTUOFQBUSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@@H](C)[NH2+]Cc1nc(CO)cs1 ZINC000669379420 537978802 /nfs/dbraw/zinc/97/88/02/537978802.db2.gz AOEKNKXOHPGPNI-SSDOTTSWSA-N 1 0 200.307 1.524 10 0 BDAERO C[C@H]1CCC[C@H](C)N1NC1=[NH+]CCS1 ZINC000148830720 346464497 /nfs/dbraw/zinc/46/44/97/346464497.db2.gz YBXJUBSJZYUUMA-IUCAKERBSA-N 1 0 213.350 1.857 10 0 BDAERO Cc1cccc(C[NH2+][C@@H](C)C(N)=O)c1C ZINC000049932784 179095737 /nfs/dbraw/zinc/09/57/37/179095737.db2.gz HYZJXQIPHRXPHU-JTQLQIEISA-N 1 0 206.289 1.267 10 0 BDAERO Cc1cccc(C[C@]2(C[NH3+])CCOC2)c1 ZINC000054637630 179106763 /nfs/dbraw/zinc/10/67/63/179106763.db2.gz CRRHZZKCYPEETG-ZDUSSCGKSA-N 1 0 205.301 1.903 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000069909699 349968670 /nfs/dbraw/zinc/96/86/70/349968670.db2.gz GUELJAYSQLZCBR-BBBLOLIVSA-N 1 0 230.377 1.466 10 0 BDAERO Cc1cccc(C[C@@H]2C[NH2+]CCC2=O)c1 ZINC000071508642 179105107 /nfs/dbraw/zinc/10/51/07/179105107.db2.gz WEPQGWPRUIDLHH-GFCCVEGCSA-N 1 0 203.285 1.716 10 0 BDAERO Cc1cccc(C[C@H](O)C[NH2+]C2CC2)c1 ZINC000071509550 179105681 /nfs/dbraw/zinc/10/56/81/179105681.db2.gz YOYHKCMVRDROBM-ZDUSSCGKSA-N 1 0 205.301 1.650 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nnc(C)o1 ZINC000105846241 346560774 /nfs/dbraw/zinc/56/07/74/346560774.db2.gz IDWJQFLBFFVUNE-LLVKDONJSA-N 1 0 238.335 1.294 10 0 BDAERO Cc1cccc(N(C)CCN2CCC[NH2+]CC2)c1 ZINC000061275773 179115674 /nfs/dbraw/zinc/11/56/74/179115674.db2.gz JYESVLNVNKCOOC-UHFFFAOYSA-N 1 0 247.386 1.727 10 0 BDAERO [NH3+][C@@H](Cc1ccncc1)[C@H]1CCSC1 ZINC000163845902 346580112 /nfs/dbraw/zinc/58/01/12/346580112.db2.gz XOUOPMQYQKBCBZ-QWRGUYRKSA-N 1 0 208.330 1.705 10 0 BDAERO Cc1cc(OC2C[NH2+]C2)ncc1Br ZINC000163999219 346586259 /nfs/dbraw/zinc/58/62/59/346586259.db2.gz VVLGOSNOWUMOIJ-UHFFFAOYSA-N 1 0 243.104 1.503 10 0 BDAERO Cc1cccc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000309437748 179124072 /nfs/dbraw/zinc/12/40/72/179124072.db2.gz NCYURKCAEBVFNV-ZWNOBZJWSA-N 1 0 219.332 1.811 10 0 BDAERO Cc1cccc(N2C[C@@H](C[NH3+])CC2=O)c1 ZINC000019669458 179124089 /nfs/dbraw/zinc/12/40/89/179124089.db2.gz YKNXXKDZEXMWCE-SNVBAGLBSA-N 1 0 204.273 1.307 10 0 BDAERO Cc1ccsc1[C@H](N)c1csnn1 ZINC000164352979 346601616 /nfs/dbraw/zinc/60/16/16/346601616.db2.gz YSQKAZWPLUCCOS-SSDOTTSWSA-N 1 0 211.315 1.956 10 0 BDAERO Cc1cccc(N(CCC[NH3+])C[C@H](C)C(N)=O)c1 ZINC000037226984 179119606 /nfs/dbraw/zinc/11/96/06/179119606.db2.gz KPUKOXCUXXGUBU-LBPRGKRZSA-N 1 0 249.358 1.272 10 0 BDAERO Cc1cccc(N)c1C(=O)N[C@H](C)CC[NH+](C)C ZINC000049551435 179119842 /nfs/dbraw/zinc/11/98/42/179119842.db2.gz VSEDDNZHVFLMBU-LLVKDONJSA-N 1 0 249.358 1.647 10 0 BDAERO Cc1nccn1CCC[NH2+]C[C@H](O)C(C)(C)C ZINC000580641004 365839074 /nfs/dbraw/zinc/83/90/74/365839074.db2.gz JVIRANKSLXWAJT-LBPRGKRZSA-N 1 0 239.363 1.578 10 0 BDAERO CCC[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000601207929 346674603 /nfs/dbraw/zinc/67/46/03/346674603.db2.gz TVTOXIZZBHPYMK-RYUDHWBXSA-N 1 0 239.363 1.665 10 0 BDAERO Cc1cccc(NC(=O)C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000052287830 179128742 /nfs/dbraw/zinc/12/87/42/179128742.db2.gz WSTPDZIWXJRAQD-CMPLNLGQSA-N 1 0 218.300 1.932 10 0 BDAERO Cc1nnsc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000380062904 365835523 /nfs/dbraw/zinc/83/55/23/365835523.db2.gz HGRPFQULFDBJMX-VIFPVBQESA-N 1 0 227.333 1.051 10 0 BDAERO [NH3+]Cc1cn(Cc2cc(F)cc(F)c2)nn1 ZINC000164926952 346633851 /nfs/dbraw/zinc/63/38/51/346633851.db2.gz RCPVMIIVPPOCSR-UHFFFAOYSA-N 1 0 224.214 1.063 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000378671104 346801016 /nfs/dbraw/zinc/80/10/16/346801016.db2.gz KCAXVDNCYJSTFC-UTUOFQBUSA-N 1 0 225.332 1.713 10 0 BDAERO Cc1cccc(OCC[C@@H](O)CC[NH3+])c1 ZINC000041218695 179169691 /nfs/dbraw/zinc/16/96/91/179169691.db2.gz HCPCOUPXMWOYHS-NSHDSACASA-N 1 0 209.289 1.474 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@H](O)C(F)(F)F ZINC000582063336 347157246 /nfs/dbraw/zinc/15/72/46/347157246.db2.gz XOFDEEDDRZRFRA-YUMQZZPRSA-N 1 0 243.269 1.296 10 0 BDAERO CC[C@@H]1CC[C@@]2(C1)[NH2+]CCc1ncn(C)c12 ZINC000725242769 537986840 /nfs/dbraw/zinc/98/68/40/537986840.db2.gz RXXFNRQCHKXEBO-MFKMUULPSA-N 1 0 219.332 1.971 10 0 BDAERO COC1(OC)C[C@@H]2C[N@H+](C)C[C@]21c1ccccc1 ZINC000040511783 347194150 /nfs/dbraw/zinc/19/41/50/347194150.db2.gz JRMSLSLIBPCNIP-KGLIPLIRSA-N 1 0 247.338 1.879 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)C(N)=O)c1 ZINC000037261406 179183104 /nfs/dbraw/zinc/18/31/04/179183104.db2.gz DVPUVYWQUKHJQG-NXEZZACHSA-N 1 0 206.289 1.519 10 0 BDAERO Cc1cccc([C@@H]([NH3+])Cc2ncc[nH]2)c1 ZINC000036946830 179185922 /nfs/dbraw/zinc/18/59/22/179185922.db2.gz VBDYWRCQTQAQKN-NSHDSACASA-N 1 0 201.273 1.961 10 0 BDAERO Cc1cccc([C@@H]([NH3+])Cc2cnn(C)c2)c1 ZINC000050542498 179186814 /nfs/dbraw/zinc/18/68/14/179186814.db2.gz URWVSIWDKOEAFJ-ZDUSSCGKSA-N 1 0 215.300 1.971 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1[S@](=O)c1cccs1 ZINC000250079814 362785772 /nfs/dbraw/zinc/78/57/72/362785772.db2.gz HSRQOOJSYUYSPY-UJVNDKKSSA-N 1 0 215.343 1.736 10 0 BDAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])n2cncn2)c1 ZINC000042967733 179188778 /nfs/dbraw/zinc/18/87/78/179188778.db2.gz MRZYRFLZZMMKIO-ZYHUDNBSSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(CCO)C2CC2)c1 ZINC000042967507 179189035 /nfs/dbraw/zinc/18/90/35/179189035.db2.gz KMMNIXKRVIBONT-IUODEOHRSA-N 1 0 248.370 1.840 10 0 BDAERO C[N@H+](C[C@H]1CCCOC1)[C@H]1CCC(=O)C1 ZINC000250486948 362806606 /nfs/dbraw/zinc/80/66/06/362806606.db2.gz XBGNHESYLIYDFR-MNOVXSKESA-N 1 0 211.305 1.466 10 0 BDAERO Cc1cccc([C@H](O)CN2CCC([NH3+])CC2)c1 ZINC000070459742 179202687 /nfs/dbraw/zinc/20/26/87/179202687.db2.gz QVGWFFOBVGYEMX-CQSZACIVSA-N 1 0 234.343 1.452 10 0 BDAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CCOCC1 ZINC000165414259 133658979 /nfs/dbraw/zinc/65/89/79/133658979.db2.gz BXSPPFLGUQXZQK-WCQYABFASA-N 1 0 227.348 1.816 10 0 BDAERO Cc1cccc2c1S(=O)(=O)C[C@@H](C)[C@@H]2[NH3+] ZINC000037665958 179222759 /nfs/dbraw/zinc/22/27/59/179222759.db2.gz WHAKFFXABRNGFF-SCZZXKLOSA-N 1 0 225.313 1.418 10 0 BDAERO Cc1cccc2c1N1[C@H](C2)C[NH2+]C[C@H]1C ZINC000028464573 179220112 /nfs/dbraw/zinc/22/01/12/179220112.db2.gz OTCYUUXMBOVVSQ-ZYHUDNBSSA-N 1 0 202.301 1.718 10 0 BDAERO Cc1cnccc1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396601309 362824997 /nfs/dbraw/zinc/82/49/97/362824997.db2.gz XKDPUVYVURKYHG-DGCLKSJQSA-N 1 0 219.332 1.620 10 0 BDAERO C[C@H](C[NH3+])S[C@@H]1CCCCC[C@H]1O ZINC000251151959 362840923 /nfs/dbraw/zinc/84/09/23/362840923.db2.gz YFTYCZHVNFLDEB-OPRDCNLKSA-N 1 0 203.351 1.760 10 0 BDAERO Cc1ccccc1-c1cc(N2CC[NH2+]CC2)n[nH]1 ZINC000062669945 179236030 /nfs/dbraw/zinc/23/60/30/179236030.db2.gz RTQVVMYMTLLWEK-UHFFFAOYSA-N 1 0 242.326 1.795 10 0 BDAERO Cc1ccccc1-c1c[nH]c(CC[NH3+])n1 ZINC000036876278 179236957 /nfs/dbraw/zinc/23/69/57/179236957.db2.gz VGTAKPRQQLSMSO-UHFFFAOYSA-N 1 0 201.273 1.886 10 0 BDAERO CC[C@H]1CCN(C(=O)C=C(C)C)C[C@@H]1[NH3+] ZINC000616568439 347448508 /nfs/dbraw/zinc/44/85/08/347448508.db2.gz BNCIONJJPAXDEQ-QWRGUYRKSA-N 1 0 210.321 1.538 10 0 BDAERO Cc1ccccc1C(=O)N(CC[NH3+])C1CC1 ZINC000041056729 179246210 /nfs/dbraw/zinc/24/62/10/179246210.db2.gz YZOFQYNWPBWCJQ-UHFFFAOYSA-N 1 0 218.300 1.558 10 0 BDAERO Cc1ccc(F)c2c1[C@H](CC[NH3+])C(=O)N2 ZINC000616569076 347521884 /nfs/dbraw/zinc/52/18/84/347521884.db2.gz HQQWRYOTUYBILJ-ZETCQYMHSA-N 1 0 208.236 1.519 10 0 BDAERO Cc1ccccc1CCC(=O)N[C@H]1C[C@H]1[NH3+] ZINC000051986037 179261313 /nfs/dbraw/zinc/26/13/13/179261313.db2.gz BKFVCVVSCPXHQO-NEPJUHHUSA-N 1 0 218.300 1.143 10 0 BDAERO CC[NH+]1CCC([S@@](=N)(=O)CC)CC1 ZINC000616569334 347648883 /nfs/dbraw/zinc/64/88/83/347648883.db2.gz SOGYIRSRAZOFKH-ZDUSSCGKSA-N 1 0 204.339 1.537 10 0 BDAERO Cc1ccccc1CN1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886492 179277002 /nfs/dbraw/zinc/27/70/02/179277002.db2.gz YFIHCRKVOMCHDF-CQSZACIVSA-N 1 0 248.370 1.933 10 0 BDAERO CC[C@@H](C)[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000592392285 347775966 /nfs/dbraw/zinc/77/59/66/347775966.db2.gz VJCXNWMWKAWFIV-GHMZBOCLSA-N 1 0 200.326 1.047 10 0 BDAERO Cc1ccccc1CS(=O)(=O)CCC[NH3+] ZINC000054963714 179287152 /nfs/dbraw/zinc/28/71/52/179287152.db2.gz DCYBKXDZTFZTOX-UHFFFAOYSA-N 1 0 227.329 1.259 10 0 BDAERO CC(C)C[C@H]1CCN(C(=O)C(C)C)C[C@@H]1[NH3+] ZINC000616569718 347806234 /nfs/dbraw/zinc/80/62/34/347806234.db2.gz JSXOYOMFVZIWEY-NEPJUHHUSA-N 1 0 226.364 1.864 10 0 BDAERO Cc1ccccc1N(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116720 179294519 /nfs/dbraw/zinc/29/45/19/179294519.db2.gz HHHSBNJTTCICGV-LLVKDONJSA-N 1 0 218.300 1.567 10 0 BDAERO Cc1ccccc1Cn1cccc(C[NH3+])c1=O ZINC000076730731 179294672 /nfs/dbraw/zinc/29/46/72/179294672.db2.gz VFHGESXDXLASEQ-UHFFFAOYSA-N 1 0 228.295 1.664 10 0 BDAERO Cc1ccccc1N1C[C@@H](C[NH3+])OC1=O ZINC000019669035 179295422 /nfs/dbraw/zinc/29/54/22/179295422.db2.gz RHQIZQWNWDSZPD-SECBINFHSA-N 1 0 206.245 1.279 10 0 BDAERO Cc1ccccc1NCCN1CC[NH+](C)CC1 ZINC000041261886 179304976 /nfs/dbraw/zinc/30/49/76/179304976.db2.gz OOBQCBPEPQULLG-UHFFFAOYSA-N 1 0 233.359 1.654 10 0 BDAERO Cc1ccccc1NC(=O)C[C@H](C)C[NH3+] ZINC000076583686 179298905 /nfs/dbraw/zinc/29/89/05/179298905.db2.gz INTGXJGFRQJLMD-VIFPVBQESA-N 1 0 206.289 1.918 10 0 BDAERO Cc1ccccc1NC(=O)CN(C)[C@H](C)CC[NH3+] ZINC000063086740 179299641 /nfs/dbraw/zinc/29/96/41/179299641.db2.gz IZQGLRWPFKEELO-GFCCVEGCSA-N 1 0 249.358 1.603 10 0 BDAERO Cc1ccccc1N[C@@]1(CO)CC[N@@H+](C)C1 ZINC000061992101 179307025 /nfs/dbraw/zinc/30/70/25/179307025.db2.gz ILWJJIYKOFMPQP-ZDUSSCGKSA-N 1 0 220.316 1.474 10 0 BDAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CCSC1 ZINC000725244246 537995240 /nfs/dbraw/zinc/99/52/40/537995240.db2.gz GQSLRRUHBPATSK-SNVBAGLBSA-N 1 0 217.334 1.410 10 0 BDAERO NC(=[NH2+])c1cc(Br)cs1 ZINC000036893270 347967949 /nfs/dbraw/zinc/96/79/49/347967949.db2.gz CLPMHULOWBXOII-UHFFFAOYSA-N 1 0 205.080 1.795 10 0 BDAERO C[C@@H]1CCSCCN1C[C@@H]1CC[NH2+]1 ZINC000307385051 352535989 /nfs/dbraw/zinc/53/59/89/352535989.db2.gz KDJDSKDRJAVCSX-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCC(O)CC1 ZINC000043033635 179347295 /nfs/dbraw/zinc/34/72/95/179347295.db2.gz XXEGIDCOVRQDOD-DOMZBBRYSA-N 1 0 248.370 1.840 10 0 BDAERO CCC(=O)N1CC[C@@H]2[C@H]([NH3+])CCC[C@@H]2C1 ZINC000669382145 537996908 /nfs/dbraw/zinc/99/69/08/537996908.db2.gz HEFPVWKKDQLMSC-OUAUKWLOSA-N 1 0 210.321 1.372 10 0 BDAERO Cc1ccccc1[C@](C)([NH3+])c1cnn(C)c1 ZINC000043461961 179350758 /nfs/dbraw/zinc/35/07/58/179350758.db2.gz XREYHBLIICZMCP-CYBMUJFWSA-N 1 0 215.300 1.951 10 0 BDAERO Cc1ccccc1[C@H]1NC(=O)CC[C@H]1[NH3+] ZINC000057492409 179351030 /nfs/dbraw/zinc/35/10/30/179351030.db2.gz YLFMEIOGDGFVIH-ZYHUDNBSSA-N 1 0 204.273 1.273 10 0 BDAERO C/C=C/C(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616571049 348095141 /nfs/dbraw/zinc/09/51/41/348095141.db2.gz DNROXLXCIHLOLR-GFAPAMAISA-N 1 0 218.300 1.899 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000393848323 259399996 /nfs/dbraw/zinc/39/99/96/259399996.db2.gz HZEBHNLNYNZQRK-OUAUKWLOSA-N 1 0 249.301 1.503 10 0 BDAERO Cc1c2cc(F)ccc2nc(N)c1C[NH3+] ZINC000725244715 537998306 /nfs/dbraw/zinc/99/83/06/537998306.db2.gz TXKSHCYWJBPYHJ-UHFFFAOYSA-N 1 0 205.236 1.723 10 0 BDAERO C=CC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616571200 348188958 /nfs/dbraw/zinc/18/89/58/348188958.db2.gz PTENHUPJUFIPKD-QWHCGFSZSA-N 1 0 230.311 1.516 10 0 BDAERO CCSC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000595258118 348204631 /nfs/dbraw/zinc/20/46/31/348204631.db2.gz JWILXBGSISZCSS-NXEZZACHSA-N 1 0 242.388 1.244 10 0 BDAERO CCC[C@@H]1CC[C@@H]2[NH2+]CC[S@](=O)[C@H]2C1 ZINC000251377927 362868012 /nfs/dbraw/zinc/86/80/12/362868012.db2.gz RFSKJZIQIMIXSE-ZHPDPMBESA-N 1 0 215.362 1.676 10 0 BDAERO Cc1c(C[NH2+][C@H]2CCS[C@H]2C)cnn1C ZINC000220831672 490148447 /nfs/dbraw/zinc/14/84/47/490148447.db2.gz QOJROROJBGJWBJ-ONGXEEELSA-N 1 0 225.361 1.712 10 0 BDAERO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037321414 348319799 /nfs/dbraw/zinc/31/97/99/348319799.db2.gz IFFDJOXKDQNAID-CHWSQXEVSA-N 1 0 248.326 1.179 10 0 BDAERO C[C@@H]1CN([C@H]2CCSC2)[C@@H](C)C[NH2+]1 ZINC000251654740 362894828 /nfs/dbraw/zinc/89/48/28/362894828.db2.gz GPEUXMICECMILJ-UTLUCORTSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@@H]1C[S@](=O)[C@H]2CCCC(C)(C)[C@H]2[NH2+]1 ZINC000251678864 362897290 /nfs/dbraw/zinc/89/72/90/362897290.db2.gz HSPKIUXSUDXIII-YCWTYVPXSA-N 1 0 215.362 1.674 10 0 BDAERO C[C@@H]1C[NH2+]CCN1C[C@H]1CCCCS1 ZINC000251604273 362889688 /nfs/dbraw/zinc/88/96/88/362889688.db2.gz DFOASBDCGOWUJR-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO CC(C)[C@H]([NH3+])CN1C[C@@H](C)S[C@H](C)C1 ZINC000251630569 362892240 /nfs/dbraw/zinc/89/22/40/362892240.db2.gz IIPXAMNNZDPWTK-GMTAPVOTSA-N 1 0 216.394 1.796 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+][C@H](C)C[S@@](=O)[C@H]2C1 ZINC000251749455 362905479 /nfs/dbraw/zinc/90/54/79/362905479.db2.gz JQPXDDOLTMOKNA-JJKYCLHCSA-N 1 0 201.335 1.284 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]2[S@@]1=O ZINC000251787586 362919066 /nfs/dbraw/zinc/91/90/66/362919066.db2.gz WUAFESVNIKMEOM-VWMGYNLJSA-N 1 0 201.335 1.428 10 0 BDAERO CC(C)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]CC[C@@H]12 ZINC000669382613 538003467 /nfs/dbraw/zinc/00/34/67/538003467.db2.gz CWRMESQWHXKBBY-GMTAPVOTSA-N 1 0 210.321 1.147 10 0 BDAERO O=C(C[NH2+]C1CC1)N[C@H]1CCOc2ccccc21 ZINC000037390201 348403967 /nfs/dbraw/zinc/40/39/67/348403967.db2.gz UIDRQBHCOHTEOC-LBPRGKRZSA-N 1 0 246.310 1.378 10 0 BDAERO CCc1nc(C[NH2+][C@@H](C)CO)sc1CC ZINC000669382880 538005198 /nfs/dbraw/zinc/00/51/98/538005198.db2.gz NELZAQJEFCTNGO-QMMMGPOBSA-N 1 0 228.361 1.738 10 0 BDAERO Cc1ccnc(N[C@H]2CC[C@@H]([NH+](C)C)C2)n1 ZINC000301934586 179461901 /nfs/dbraw/zinc/46/19/01/179461901.db2.gz QVVLRWOQWZLNGC-WDEREUQCSA-N 1 0 220.320 1.680 10 0 BDAERO Cc1ccnc([S@](=O)C[C@H]2CC[NH2+]C2)c1 ZINC000095069230 179469682 /nfs/dbraw/zinc/46/96/82/179469682.db2.gz MTLNFXKPDLPWAZ-BONVTDFDSA-N 1 0 224.329 1.107 10 0 BDAERO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[C@H]1O ZINC000252732977 179499990 /nfs/dbraw/zinc/49/99/90/179499990.db2.gz XIIYKZMYUKRBOL-WCFLWFBJSA-N 1 0 220.316 1.954 10 0 BDAERO CCN(CC(C)C)c1cc(N)c(N)c[nH+]1 ZINC000669383062 538007064 /nfs/dbraw/zinc/00/70/64/538007064.db2.gz WOIWJYWSCVCXRS-UHFFFAOYSA-N 1 0 208.309 1.728 10 0 BDAERO COC(=O)C(C)(C)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000597039884 348648138 /nfs/dbraw/zinc/64/81/38/348648138.db2.gz ZKYZYNLRXNPYHD-GHMZBOCLSA-N 1 0 241.331 1.343 10 0 BDAERO CCC[NH2+]C[C@@H](O)C(=O)c1ccc(F)cc1 ZINC000669383357 538010408 /nfs/dbraw/zinc/01/04/08/538010408.db2.gz UBNGHDBHOGPAKN-LLVKDONJSA-N 1 0 225.263 1.369 10 0 BDAERO CSC1(C[NH2+]C[C@H]2CC(=O)N(C)C2)CCC1 ZINC000597213865 348681245 /nfs/dbraw/zinc/68/12/45/348681245.db2.gz PNCLULCWWWGKBZ-SNVBAGLBSA-N 1 0 242.388 1.340 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cc(C#N)cnn1 ZINC000396938158 350000356 /nfs/dbraw/zinc/00/03/56/350000356.db2.gz FRYCPUJQFPVODE-JQWIXIFHSA-N 1 0 243.314 1.021 10 0 BDAERO Cc1noc(CC[NH2+][C@@H]2CCC2(C)C)n1 ZINC000308835631 348771332 /nfs/dbraw/zinc/77/13/32/348771332.db2.gz LBNRXCOIDHTYTM-SECBINFHSA-N 1 0 209.293 1.699 10 0 BDAERO CC(C)(C)OC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000725247003 538011380 /nfs/dbraw/zinc/01/13/80/538011380.db2.gz DOGQPOKUZVLPJP-UHFFFAOYSA-N 1 0 248.273 1.462 10 0 BDAERO C[C@H](Nc1ncnc2[nH]ccc21)[C@@H]1CCC[NH2+]C1 ZINC000420165860 192167691 /nfs/dbraw/zinc/16/76/91/192167691.db2.gz NPLYKVHUSWIFOS-VHSXEESVSA-N 1 0 245.330 1.758 10 0 BDAERO O=C(C[NH2+]C1C2CC3CC(C2)CC1C3)NC1CC1 ZINC000035174528 358455088 /nfs/dbraw/zinc/45/50/88/358455088.db2.gz ALYQRGNVDYDKHV-UHFFFAOYSA-N 1 0 248.370 1.679 10 0 BDAERO NC(=[NH2+])Cn1cc(-c2ccccc2)cn1 ZINC000054961493 348845283 /nfs/dbraw/zinc/84/52/83/348845283.db2.gz LOYPHAKDWWGFGK-UHFFFAOYSA-N 1 0 200.245 1.486 10 0 BDAERO Cc1cncc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC000003796749 179685919 /nfs/dbraw/zinc/68/59/19/179685919.db2.gz JLOBVGDQVUCSJA-LLVKDONJSA-N 1 0 203.289 1.594 10 0 BDAERO CCC(CC)N(CCOC)C(=O)[C@@H](C)[NH2+]C ZINC000054075159 348877256 /nfs/dbraw/zinc/87/72/56/348877256.db2.gz IPQCUEUTKILDIU-SNVBAGLBSA-N 1 0 230.352 1.258 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(Cc1ccccn1)C(C)C ZINC000054075295 348877639 /nfs/dbraw/zinc/87/76/39/348877639.db2.gz ZNZYQKNPGZWGAC-LLVKDONJSA-N 1 0 235.331 1.427 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1c1cccnc1 ZINC000054072451 348888264 /nfs/dbraw/zinc/88/82/64/348888264.db2.gz JRIMMKINSQKDPO-PWSUYJOCSA-N 1 0 233.315 1.353 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000054074202 348889697 /nfs/dbraw/zinc/88/96/97/348889697.db2.gz QNSXZLABBSGCNK-SSDOTTSWSA-N 1 0 232.287 1.418 10 0 BDAERO Cc1cnn(C)c1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000352760244 179720480 /nfs/dbraw/zinc/72/04/80/179720480.db2.gz APGCCEJQESKYEV-DGCLKSJQSA-N 1 0 237.347 1.369 10 0 BDAERO O=C(N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F)C1CC1 ZINC000616573467 349070730 /nfs/dbraw/zinc/07/07/30/349070730.db2.gz YOVSYYGDDQPJHF-HTQZYQBOSA-N 1 0 236.237 1.053 10 0 BDAERO CCC(=O)NCc1cccc([C@H](C)[NH3+])c1 ZINC000616571935 349064169 /nfs/dbraw/zinc/06/41/69/349064169.db2.gz IYMARSJPBHUXDZ-VIFPVBQESA-N 1 0 206.289 1.733 10 0 BDAERO CC1(C)C(=O)Nc2c1c(F)ccc2C[NH3+] ZINC000616572927 349064423 /nfs/dbraw/zinc/06/44/23/349064423.db2.gz XRDJQDSMOBOIMP-UHFFFAOYSA-N 1 0 208.236 1.514 10 0 BDAERO CC[C@@H]1CCN(C(=O)[C@H](C)C(C)C)C[C@@H]1[NH3+] ZINC000616573045 349064524 /nfs/dbraw/zinc/06/45/24/349064524.db2.gz YQHKAQCWARKAPH-UTUOFQBUSA-N 1 0 226.364 1.864 10 0 BDAERO CC[C@@H]1CCN(C(=O)C2CCC2)C[C@H]1[NH3+] ZINC000616572953 349064666 /nfs/dbraw/zinc/06/46/66/349064666.db2.gz XTXGKCLEYVGZPB-MWLCHTKSSA-N 1 0 210.321 1.372 10 0 BDAERO Cc1csc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000044503061 179788754 /nfs/dbraw/zinc/78/87/54/179788754.db2.gz ODTSCCJITGRMLU-SECBINFHSA-N 1 0 211.334 1.863 10 0 BDAERO Cc1csc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000051883480 179791250 /nfs/dbraw/zinc/79/12/50/179791250.db2.gz JXTGPOANWZIXDC-SECBINFHSA-N 1 0 212.318 1.972 10 0 BDAERO C[C@H]1CN([C@H](C[NH3+])C(C)(C)C)CCO1 ZINC000251848440 362941231 /nfs/dbraw/zinc/94/12/31/362941231.db2.gz REVWDRAWECZBLP-VHSXEESVSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@@H]1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1 ZINC000211672872 349279237 /nfs/dbraw/zinc/27/92/37/349279237.db2.gz KJUJFXNZAAIFQZ-ZJUUUORDSA-N 1 0 228.336 1.899 10 0 BDAERO Cc1nc(C(C)(C)N2CC[NH2+]CC2)sc1C ZINC000049829912 179894693 /nfs/dbraw/zinc/89/46/93/179894693.db2.gz NFKSQBWEPZPTNO-UHFFFAOYSA-N 1 0 239.388 1.900 10 0 BDAERO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)o1 ZINC000174583875 179900622 /nfs/dbraw/zinc/90/06/22/179900622.db2.gz WVCAJDVCECIQBS-SNVBAGLBSA-N 1 0 237.303 1.068 10 0 BDAERO Cc1nc(C)c(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])o1 ZINC000128154656 179904157 /nfs/dbraw/zinc/90/41/57/179904157.db2.gz RWHSGLCLVPZVHJ-UWVGGRQHSA-N 1 0 237.303 1.291 10 0 BDAERO CCC[C@H](C)N(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070622106 350032128 /nfs/dbraw/zinc/03/21/28/350032128.db2.gz SZMHWBUJBDGEFO-JQWIXIFHSA-N 1 0 212.337 1.776 10 0 BDAERO CC[C@H](NC(=O)[C@@H](C)[NH2+]C)c1nccs1 ZINC000070732380 350053911 /nfs/dbraw/zinc/05/39/11/350053911.db2.gz JDQVMVCXVYPKCU-SFYZADRCSA-N 1 0 227.333 1.318 10 0 BDAERO CC[C@@H](NC(=O)[C@@H](C)[NH2+]C)c1nccs1 ZINC000070732381 350053951 /nfs/dbraw/zinc/05/39/51/350053951.db2.gz JDQVMVCXVYPKCU-HTQZYQBOSA-N 1 0 227.333 1.318 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CNC(=O)NC(C)C ZINC000725254853 538048516 /nfs/dbraw/zinc/04/85/16/538048516.db2.gz GZEMGRXXGUZMJW-DTWKUNHWSA-N 1 0 201.314 1.067 10 0 BDAERO CCNC(=O)NCC1([NH3+])C[C@@H](C)C[C@H](C)C1 ZINC000725254835 538048667 /nfs/dbraw/zinc/04/86/67/538048667.db2.gz GFDPZJSLAXRNJZ-UWVGGRQHSA-N 1 0 227.352 1.459 10 0 BDAERO c1cc2c(s1)CCN([C@H]1CC[NH2+]C1)C2 ZINC000051783448 350110821 /nfs/dbraw/zinc/11/08/21/350110821.db2.gz CZXKAKCNNSQALI-JTQLQIEISA-N 1 0 208.330 1.468 10 0 BDAERO Cc1nc(N2CCCC2)sc1C(N)=[NH2+] ZINC000082422095 180001080 /nfs/dbraw/zinc/00/10/80/180001080.db2.gz HUMYTRMVPXLWTC-UHFFFAOYSA-N 1 0 210.306 1.336 10 0 BDAERO Cc1nc(N)sc1S[C@@H](C)C[NH3+] ZINC000082639414 180001367 /nfs/dbraw/zinc/00/13/67/180001367.db2.gz AHKNVXWBYQNMPU-BYPYZUCNSA-N 1 0 203.336 1.473 10 0 BDAERO Cc1nc(N)sc1SCCC[NH3+] ZINC000048686935 180001441 /nfs/dbraw/zinc/00/14/41/180001441.db2.gz FGVNLRWZNNFJFJ-UHFFFAOYSA-N 1 0 203.336 1.475 10 0 BDAERO Cc1nc(N2CCOC[C@H]2C)sc1[C@@H](C)[NH3+] ZINC000054895584 180002268 /nfs/dbraw/zinc/00/22/68/180002268.db2.gz VBEXBIYDRJRMPP-HTQZYQBOSA-N 1 0 241.360 1.696 10 0 BDAERO Cc1nc(N2C[C@@H](C)OC[C@@H]2C)sc1C[NH3+] ZINC000054997251 180003202 /nfs/dbraw/zinc/00/32/02/180003202.db2.gz JCIVOHOQAGJGQL-JGVFFNPUSA-N 1 0 241.360 1.524 10 0 BDAERO Cc1nc([C@@H](O)C[NH2+]C(C)(C)C)ccc1O ZINC000039220462 180042398 /nfs/dbraw/zinc/04/23/98/180042398.db2.gz BSKKYGLTIZHBMY-NSHDSACASA-N 1 0 224.304 1.517 10 0 BDAERO C[C@@H](CC[NH2+]CC1CCOCC1)[S@@](C)=O ZINC000132585802 191034140 /nfs/dbraw/zinc/03/41/40/191034140.db2.gz VLIWMBLUMOOZSB-BONVTDFDSA-N 1 0 233.377 1.160 10 0 BDAERO Cc1nc2c(c(C(F)(F)F)n1)C[NH2+]CC2 ZINC000020445730 180068511 /nfs/dbraw/zinc/06/85/11/180068511.db2.gz ZTIHPHQTHCEZNN-UHFFFAOYSA-N 1 0 217.194 1.450 10 0 BDAERO C[C@H](C[NH3+])[C@H](O)c1ccc(Br)o1 ZINC000083021574 538062078 /nfs/dbraw/zinc/06/20/78/538062078.db2.gz QACYVRXAKCEQRM-XRGYYRRGSA-N 1 0 234.093 1.670 10 0 BDAERO CCc1nc(C)cc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000304375752 350155885 /nfs/dbraw/zinc/15/58/85/350155885.db2.gz VOAIVVHNOTYDIW-BDAKNGLRSA-N 1 0 222.336 1.885 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)c1ccc(Br)o1 ZINC000083021573 538062279 /nfs/dbraw/zinc/06/22/79/538062279.db2.gz QACYVRXAKCEQRM-XNCJUZBTSA-N 1 0 234.093 1.670 10 0 BDAERO Cc1nc2ccccc2n1C[C@@H](O)C[NH2+]C1CC1 ZINC000036950733 180103099 /nfs/dbraw/zinc/10/30/99/180103099.db2.gz UFUDEJCDWDPEPZ-LBPRGKRZSA-N 1 0 245.326 1.458 10 0 BDAERO Cc1nc2ccccc2nc1OCCC[NH3+] ZINC000052099698 180105700 /nfs/dbraw/zinc/10/57/00/180105700.db2.gz QBZCYMCYFKZGBV-UHFFFAOYSA-N 1 0 217.272 1.666 10 0 BDAERO Cc1csc2nc(C)c([C@@H]3C[C@@H]3[NH3+])n12 ZINC000062494935 180116802 /nfs/dbraw/zinc/11/68/02/180116802.db2.gz NYXRTIPJNRABBW-SFYZADRCSA-N 1 0 207.302 1.827 10 0 BDAERO Cc1nc2sc(C)c(C)n2c1CC[NH3+] ZINC000031972856 180117672 /nfs/dbraw/zinc/11/76/72/180117672.db2.gz VQMUDYQCGUDUKX-UHFFFAOYSA-N 1 0 209.318 1.822 10 0 BDAERO Cc1nc[nH]c1C[NH2+][C@@H](C)c1cccnc1 ZINC000054794114 180121350 /nfs/dbraw/zinc/12/13/50/180121350.db2.gz ABGAYXPXELOHPP-VIFPVBQESA-N 1 0 216.288 1.964 10 0 BDAERO Cc1nc[nH]c1C[NH2+][C@H](C)c1cnn(C)c1C ZINC000054796425 180122032 /nfs/dbraw/zinc/12/20/32/180122032.db2.gz XWPSAPVEYCKQGS-MRVPVSSYSA-N 1 0 233.319 1.611 10 0 BDAERO CC(=O)[C@H](C[NH3+])Cc1ccc2ccccc2n1 ZINC000098096036 191061551 /nfs/dbraw/zinc/06/15/51/191061551.db2.gz QZXSLOLFAOKRCQ-LBPRGKRZSA-N 1 0 228.295 1.941 10 0 BDAERO Cc1nccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)n1 ZINC000163344406 180191805 /nfs/dbraw/zinc/19/18/05/180191805.db2.gz VFORLHPKEDKHEZ-MNOVXSKESA-N 1 0 221.304 1.034 10 0 BDAERO CCCCNC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000130380863 490384283 /nfs/dbraw/zinc/38/42/83/490384283.db2.gz HGGWWUGAQYVKNE-QWRGUYRKSA-N 1 0 227.352 1.378 10 0 BDAERO Cc1nccc(CNC2=[NH+][C@@H](C)CS2)n1 ZINC000045005736 180187562 /nfs/dbraw/zinc/18/75/62/180187562.db2.gz MIQQLXJKKVEZPG-ZETCQYMHSA-N 1 0 222.317 1.366 10 0 BDAERO Cc1ncccc1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000335595258 180220895 /nfs/dbraw/zinc/22/08/95/180220895.db2.gz ARDQWANZFYRJGF-YPMHNXCESA-N 1 0 220.316 1.735 10 0 BDAERO CN1CCN([C@@H]2CCCCCC2=O)CC1 ZINC000037660910 350283116 /nfs/dbraw/zinc/28/31/16/350283116.db2.gz HECYKPXXDGXWKU-LLVKDONJSA-N 1 0 210.321 1.136 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2CCC[C@H](C)[C@@H]2C)C1 ZINC000252201661 538086020 /nfs/dbraw/zinc/08/60/20/538086020.db2.gz UELNKZHKADOCKJ-CYDGBPFRSA-N 1 0 226.364 1.484 10 0 BDAERO CCOC(=O)c1cc(C)c2c(c1)C[NH2+]CCO2 ZINC000725260569 538082347 /nfs/dbraw/zinc/08/23/47/538082347.db2.gz SPGUINBUHKIUSD-UHFFFAOYSA-N 1 0 235.283 1.654 10 0 BDAERO Cc1nccn1Cc1ccccc1C[NH3+] ZINC000022173678 180269349 /nfs/dbraw/zinc/26/93/49/180269349.db2.gz XCPXTKTURUWFMO-UHFFFAOYSA-N 1 0 201.273 1.699 10 0 BDAERO CC(C)n1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)n1 ZINC000324546462 350307282 /nfs/dbraw/zinc/30/72/82/350307282.db2.gz SXTSFBTXXCGVLF-GFCCVEGCSA-N 1 0 239.363 1.961 10 0 BDAERO Cc1nccnc1[S@](=O)C[C@H]1CCCC[NH2+]1 ZINC000095068790 180283661 /nfs/dbraw/zinc/28/36/61/180283661.db2.gz AWSYLYLMFDOTLX-HWPZZCPQSA-N 1 0 239.344 1.035 10 0 BDAERO Cc1nccnc1[S@@](=O)C[C@@H]1CCCC[NH2+]1 ZINC000095068787 180283703 /nfs/dbraw/zinc/28/37/03/180283703.db2.gz AWSYLYLMFDOTLX-MGPLVRAMSA-N 1 0 239.344 1.035 10 0 BDAERO CC(C)(C)OCC[NH2+]C[C@H](O)C(C)(C)C ZINC000324330189 350292929 /nfs/dbraw/zinc/29/29/29/350292929.db2.gz JYJPNIOJJRXSNF-JTQLQIEISA-N 1 0 217.353 1.798 10 0 BDAERO Cc1ncsc1CC[NH2+][C@H]1CCCC[C@H]1O ZINC000052015345 180311518 /nfs/dbraw/zinc/31/15/18/180311518.db2.gz ZZHHONOPKXDCHA-WDEREUQCSA-N 1 0 240.372 1.887 10 0 BDAERO C[C@@H]1COCCN1[C@H](C[NH3+])C(C)(C)C ZINC000251851059 362954390 /nfs/dbraw/zinc/95/43/90/362954390.db2.gz RLIRWFOXZKKYFE-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO O[C@@H]([C@@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225669023 350369193 /nfs/dbraw/zinc/36/91/93/350369193.db2.gz SBSPOVWJAMOWOZ-WDSKDSINSA-N 1 0 244.079 1.477 10 0 BDAERO CCCN(C(=O)[C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000384456232 350346339 /nfs/dbraw/zinc/34/63/39/350346339.db2.gz JFEDLZQRLDDPJL-PWSUYJOCSA-N 1 0 224.348 1.776 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1c1noc(-c2cccnc2)n1 ZINC000076051655 350347025 /nfs/dbraw/zinc/34/70/25/350347025.db2.gz SQLTZSOMADOKHD-VHSXEESVSA-N 1 0 230.271 1.726 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1c1noc(-c2cccnc2)n1 ZINC000076051646 350347048 /nfs/dbraw/zinc/34/70/48/350347048.db2.gz SQLTZSOMADOKHD-NXEZZACHSA-N 1 0 230.271 1.726 10 0 BDAERO CCOC[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000069277140 350351624 /nfs/dbraw/zinc/35/16/24/350351624.db2.gz GRAVHIJTVGWPFJ-AGIUHOORSA-N 1 0 243.347 1.027 10 0 BDAERO [NH3+][C@@H]1CC[C@](O)(C(F)(F)Br)C1 ZINC000225658292 350368791 /nfs/dbraw/zinc/36/87/91/350368791.db2.gz JWAKJQMKBMAPQC-RFZPGFLSSA-N 1 0 230.052 1.216 10 0 BDAERO Cc1nn(-c2c(C(N)=[NH2+])c(C)nn2C)c(C)c1C ZINC000104308047 180326758 /nfs/dbraw/zinc/32/67/58/180326758.db2.gz GSIAUDYZMJCILR-UHFFFAOYSA-N 1 0 246.318 1.124 10 0 BDAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)CO ZINC000037258840 180327592 /nfs/dbraw/zinc/32/75/92/180327592.db2.gz QFWBJCNHNRCQGP-XPUUQOCRSA-N 1 0 200.307 1.483 10 0 BDAERO COCCC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725264240 538090753 /nfs/dbraw/zinc/09/07/53/538090753.db2.gz RBCFGOIZAKHMLK-NSHDSACASA-N 1 0 240.347 1.143 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000725264042 538090915 /nfs/dbraw/zinc/09/09/15/538090915.db2.gz HWZBQKCCXAQBER-LLVKDONJSA-N 1 0 239.363 1.426 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CNc1nccnc1Cl ZINC000226138189 350402216 /nfs/dbraw/zinc/40/22/16/350402216.db2.gz BYIMBHDWUJMPOC-MRVPVSSYSA-N 1 0 226.711 1.636 10 0 BDAERO Cc1nn(C)c(N(C)C2CCCCC2)c1C[NH3+] ZINC000020469677 180350392 /nfs/dbraw/zinc/35/03/92/180350392.db2.gz QFHHOYZSPPSDCQ-UHFFFAOYSA-N 1 0 236.363 1.956 10 0 BDAERO Cc1nn(C)c(NCCC[NH+]2CCCC2)c1N ZINC000062070052 180358181 /nfs/dbraw/zinc/35/81/81/180358181.db2.gz STEDLNATNKFZCC-UHFFFAOYSA-N 1 0 237.351 1.209 10 0 BDAERO CC(C)CNC(=O)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264632 538092133 /nfs/dbraw/zinc/09/21/33/538092133.db2.gz YWPQTPCJDOKCPA-YPMHNXCESA-N 1 0 239.363 1.616 10 0 BDAERO Cc1nn(C)c(C)c1C[NH2+]CCN(C)C1CC1 ZINC000061993267 180340501 /nfs/dbraw/zinc/34/05/01/180340501.db2.gz WBYNGHXBGVDUDJ-UHFFFAOYSA-N 1 0 236.363 1.221 10 0 BDAERO C[N@@H+]1CCOC[C@H](c2cnnc3ccccc32)C1 ZINC000616592318 350451794 /nfs/dbraw/zinc/45/17/94/350451794.db2.gz CYROPFJVHFKPRN-LLVKDONJSA-N 1 0 243.310 1.675 10 0 BDAERO Cc1nn(C)c2sc([C@H](C)[NH2+]CCO)cc12 ZINC000336745357 180365522 /nfs/dbraw/zinc/36/55/22/180365522.db2.gz QSRXYGFGXDHGTM-QMMMGPOBSA-N 1 0 239.344 1.586 10 0 BDAERO CCC[NH+]1CCC(n2cc(C=O)nn2)CC1 ZINC000409425877 350476871 /nfs/dbraw/zinc/47/68/71/350476871.db2.gz NOHHRMSIVFCWKC-UHFFFAOYSA-N 1 0 222.292 1.138 10 0 BDAERO CCn1cc(C[NH2+]C)c(-c2cccnc2)n1 ZINC000409437107 350480273 /nfs/dbraw/zinc/48/02/73/350480273.db2.gz DPUNFJGODWUYDF-UHFFFAOYSA-N 1 0 216.288 1.684 10 0 BDAERO [NH3+]Cc1cnn2ccn(CC3CCC3)c12 ZINC000409437413 350481129 /nfs/dbraw/zinc/48/11/29/350481129.db2.gz 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BDAERO Nc1cccc([C@@H]2CCCN(CC[NH3+])CC2)c1 ZINC000616600315 350779197 /nfs/dbraw/zinc/77/91/97/350779197.db2.gz BQZWYTACNMDEPF-GFCCVEGCSA-N 1 0 233.359 1.797 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ccccn2)CC1 ZINC000616601202 350781668 /nfs/dbraw/zinc/78/16/68/350781668.db2.gz LHSCVSKNJZKTJI-GFCCVEGCSA-N 1 0 220.316 1.643 10 0 BDAERO CC(=O)Nc1ccccc1[C@@H]1C[NH2+]CCN1C ZINC000616603061 350789370 /nfs/dbraw/zinc/78/93/70/350789370.db2.gz DLGVLKGSOLNAFU-ZDUSSCGKSA-N 1 0 233.315 1.221 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2ccnnc2)C1 ZINC000616603698 350790132 /nfs/dbraw/zinc/79/01/32/350790132.db2.gz GNXANUWKWDVOEU-LBPRGKRZSA-N 1 0 221.304 1.038 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2cncnc2)C1 ZINC000616603795 350790163 /nfs/dbraw/zinc/79/01/63/350790163.db2.gz IHJGAMIFGMFWHG-NSHDSACASA-N 1 0 220.320 1.005 10 0 BDAERO CCc1nnc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)n1C ZINC000177537358 366007046 /nfs/dbraw/zinc/00/70/46/366007046.db2.gz LDYUKCWFLKIYSC-RYUDHWBXSA-N 1 0 248.374 2.000 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](C(F)(F)F)C1 ZINC000616604885 350793673 /nfs/dbraw/zinc/79/36/73/350793673.db2.gz SKEYNIAJRDHBDE-QMMMGPOBSA-N 1 0 211.227 1.643 10 0 BDAERO C[N@@H+]1CCC[C@H]1c1ccccc1CCO ZINC000616607406 350800939 /nfs/dbraw/zinc/80/09/39/350800939.db2.gz QGDYRAYOOCGRMB-ZDUSSCGKSA-N 1 0 205.301 1.988 10 0 BDAERO Nc1ccc([C@H]2CCC[N@@H+]2CCO)cc1 ZINC000616608317 350804880 /nfs/dbraw/zinc/80/48/80/350804880.db2.gz PNPQMKYTAYSUFX-GFCCVEGCSA-N 1 0 206.289 1.398 10 0 BDAERO OCCc1ccccc1[C@@H]1CCC[N@@H+](CCO)C1 ZINC000616608843 350805489 /nfs/dbraw/zinc/80/54/89/350805489.db2.gz DVLTVVPEAPNFOZ-CQSZACIVSA-N 1 0 249.354 1.393 10 0 BDAERO Nc1ccc([C@@H]2CCN(CC[NH3+])C2)cc1 ZINC000616614192 350831023 /nfs/dbraw/zinc/83/10/23/350831023.db2.gz GWMKEFOSNISHPA-LLVKDONJSA-N 1 0 205.305 1.017 10 0 BDAERO C[C@H]1SCC[C@H]1[N@@H+]1CCCN[C@H](C)C1 ZINC000306677735 350832552 /nfs/dbraw/zinc/83/25/52/350832552.db2.gz ZSHBBNBXCIYZQY-GMTAPVOTSA-N 1 0 214.378 1.564 10 0 BDAERO C[C@H]1SCC[C@]1(CN)[N@H+](C)C(C)(C)C ZINC000306680080 350835057 /nfs/dbraw/zinc/83/50/57/350835057.db2.gz JPZAOPCUHPRCHZ-MWLCHTKSSA-N 1 0 216.394 1.940 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)Cc1cncs1 ZINC000306683158 350839297 /nfs/dbraw/zinc/83/92/97/350839297.db2.gz UTZABGGHWVMGPB-PSASIEDQSA-N 1 0 224.329 1.643 10 0 BDAERO C[N@@H+]1CCCC[C@H]1c1ccccc1C(N)=O ZINC000616616071 350853168 /nfs/dbraw/zinc/85/31/68/350853168.db2.gz YXWNARYTPVXAFG-LBPRGKRZSA-N 1 0 218.300 1.942 10 0 BDAERO C[C@@H]1CCSC(NC[C@@H]2CCCO2)=[NH+]1 ZINC000133476084 350855884 /nfs/dbraw/zinc/85/58/84/350855884.db2.gz NHPOEPSQUONCNF-BDAKNGLRSA-N 1 0 214.334 1.636 10 0 BDAERO OCC[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000616616510 350856137 /nfs/dbraw/zinc/85/61/37/350856137.db2.gz QZYFAKIOSNSMQB-LBPRGKRZSA-N 1 0 206.289 1.601 10 0 BDAERO CC[N@@H+]1CCC[C@H](c2cccnc2N)C1 ZINC000616617337 350864169 /nfs/dbraw/zinc/86/41/69/350864169.db2.gz PZIGVNZSVZPFFW-JTQLQIEISA-N 1 0 205.305 1.863 10 0 BDAERO Cc1nsc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000227863158 180517676 /nfs/dbraw/zinc/51/76/76/180517676.db2.gz GJZHQNNCHDFZRY-VXNVDRBHSA-N 1 0 226.349 1.410 10 0 BDAERO CO[C@@]1(C)CC[N@@H+]([C@H]2CCCCC2=O)C1 ZINC000306734570 350904944 /nfs/dbraw/zinc/90/49/44/350904944.db2.gz UWBSEDXJTOYDSS-JQWIXIFHSA-N 1 0 211.305 1.609 10 0 BDAERO [NH3+][C@@H](c1ccns1)[C@H]1CSCCS1 ZINC000306745751 350933896 /nfs/dbraw/zinc/93/38/96/350933896.db2.gz BMSZJKWLBNTZMS-SFYZADRCSA-N 1 0 232.399 1.992 10 0 BDAERO COc1ccccc1[C@H]1CCC[N@H+](CCO)C1 ZINC000616617743 350872511 /nfs/dbraw/zinc/87/25/11/350872511.db2.gz IMCYKAADRMNYKX-LBPRGKRZSA-N 1 0 235.327 1.867 10 0 BDAERO C[N@@H+]1CC[C@@H](Oc2cc(Cl)nc(Cl)n2)C1 ZINC000306714498 350875964 /nfs/dbraw/zinc/87/59/64/350875964.db2.gz QPSUPKGSACTBJZ-ZCFIWIBFSA-N 1 0 248.113 1.866 10 0 BDAERO CCCS(=O)(=O)[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] ZINC000250285880 350878760 /nfs/dbraw/zinc/87/87/60/350878760.db2.gz ZWHKUROBYPQDGK-IVZWLZJFSA-N 1 0 219.350 1.327 10 0 BDAERO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCF ZINC000309529942 191127422 /nfs/dbraw/zinc/12/74/22/191127422.db2.gz VTHAOKVAZQDYJF-ZJUUUORDSA-N 1 0 216.300 1.096 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(Br)cn1 ZINC000129049937 350975811 /nfs/dbraw/zinc/97/58/11/350975811.db2.gz OSUAQIWFLOMTIZ-APPZFPTMSA-N 1 0 245.120 1.615 10 0 BDAERO [NH3+][C@@H](Cc1cncs1)[C@@H]1CSCCS1 ZINC000159733411 350989773 /nfs/dbraw/zinc/98/97/73/350989773.db2.gz GPBHRRSXTAZPPA-IUCAKERBSA-N 1 0 246.426 1.862 10 0 BDAERO NC(=[NH2+])N[C@H](c1ccco1)C(F)(F)F ZINC000306767587 350997525 /nfs/dbraw/zinc/99/75/25/350997525.db2.gz CRAOCFSTLKIEPQ-RXMQYKEDSA-N 1 0 207.155 1.366 10 0 BDAERO C[C@H]1CC[C@H]([C@H]2[NH2+]C[C@@H](C)CS2)O1 ZINC000251965028 362999800 /nfs/dbraw/zinc/99/98/00/362999800.db2.gz XUTWZVWSZNXPCO-RGOKHQFPSA-N 1 0 201.335 1.853 10 0 BDAERO Nc1ncc([C@@]2(F)CC[C@@H]([NH3+])C2)s1 ZINC000159899364 351019211 /nfs/dbraw/zinc/01/92/11/351019211.db2.gz IZQYGNUCIPBWDS-SVGQVSJJSA-N 1 0 201.270 1.401 10 0 BDAERO Cc1sccc1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000306784421 351035364 /nfs/dbraw/zinc/03/53/64/351035364.db2.gz MBOATNWKHRXUMS-GZMMTYOYSA-N 1 0 210.346 1.978 10 0 BDAERO [NH3+][C@H](CO)Cc1ccsc1Br ZINC000306788245 351038361 /nfs/dbraw/zinc/03/83/61/351038361.db2.gz RPLFDPIGJYKFFN-LURJTMIESA-N 1 0 236.134 1.373 10 0 BDAERO C[C@@H](C[NH3+])N(C)c1cc(Cl)nnc1Cl ZINC000306790468 351039462 /nfs/dbraw/zinc/03/94/62/351039462.db2.gz VQQSQSUABGOVCP-YFKPBYRVSA-N 1 0 235.118 1.567 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2cccc(F)c2)C1 ZINC000616621545 351043394 /nfs/dbraw/zinc/04/33/94/351043394.db2.gz RZLHBNUZRMJOOB-LBPRGKRZSA-N 1 0 222.307 1.964 10 0 BDAERO CC(C)[S@@](=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000306807429 351060958 /nfs/dbraw/zinc/06/09/58/351060958.db2.gz MIOHSDABBAZBNY-LKFCYVNXSA-N 1 0 218.366 1.118 10 0 BDAERO CC(=O)Nc1ccccc1[C@H]1CCN(CC[NH3+])C1 ZINC000616630700 351103705 /nfs/dbraw/zinc/10/37/05/351103705.db2.gz AEJCSMMDINUXCG-LBPRGKRZSA-N 1 0 247.342 1.393 10 0 BDAERO c1cc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)no1 ZINC000616631624 351106291 /nfs/dbraw/zinc/10/62/91/351106291.db2.gz DIROCPPMTZSCOY-AWEZNQCLSA-N 1 0 243.310 1.821 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2ccncn2)CC1 ZINC000616626985 351107304 /nfs/dbraw/zinc/10/73/04/351107304.db2.gz AMFYACKNPRAJCN-NSHDSACASA-N 1 0 220.320 1.005 10 0 BDAERO CC(=O)[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616636354 351126189 /nfs/dbraw/zinc/12/61/89/351126189.db2.gz KAVUFFAYXRLRTQ-CYBMUJFWSA-N 1 0 218.300 1.049 10 0 BDAERO CC(=O)Nc1ccc([C@@H]2CN(C)CC[NH2+]2)cc1 ZINC000616632061 351110325 /nfs/dbraw/zinc/11/03/25/351110325.db2.gz GFMUYNSPRRUFGA-ZDUSSCGKSA-N 1 0 233.315 1.221 10 0 BDAERO CC(C)[N@@H+]1CCN[C@@H](c2cccc(CCO)c2)C1 ZINC000616632332 351111068 /nfs/dbraw/zinc/11/10/68/351111068.db2.gz MTYMRQLYLLGEOO-OAHLLOKOSA-N 1 0 248.370 1.576 10 0 BDAERO OCC[N@@H+]1CCC[C@@H]1c1cccc2nnccc21 ZINC000616632186 351111586 /nfs/dbraw/zinc/11/15/86/351111586.db2.gz JOAXHRKOESASSK-CQSZACIVSA-N 1 0 243.310 1.759 10 0 BDAERO CN1CC[NH2+][C@H](c2cccc3cnccc32)C1 ZINC000616632608 351112002 /nfs/dbraw/zinc/11/20/02/351112002.db2.gz NOFSRRUXWDVPRE-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO c1nocc1[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616633301 351114738 /nfs/dbraw/zinc/11/47/38/351114738.db2.gz OVKVOSDINVWPBN-CQSZACIVSA-N 1 0 243.310 1.821 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2c[nH]cn2)C1 ZINC000616634029 351116257 /nfs/dbraw/zinc/11/62/57/351116257.db2.gz KTEONMWYZQUFSG-JTQLQIEISA-N 1 0 208.309 1.155 10 0 BDAERO Cc1sc2ncn(CCC[NH3+])c(=O)c2c1C ZINC000053530377 180559041 /nfs/dbraw/zinc/55/90/41/180559041.db2.gz UXZGGGOHIMUIEA-UHFFFAOYSA-N 1 0 237.328 1.424 10 0 BDAERO OCC[N@@H+]1CCCCC[C@@H]1c1ncco1 ZINC000616624314 351090902 /nfs/dbraw/zinc/09/09/02/351090902.db2.gz YBFWAVYSOVSLIP-SNVBAGLBSA-N 1 0 210.277 1.584 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ccccc2CO)CC1 ZINC000616628174 351097544 /nfs/dbraw/zinc/09/75/44/351097544.db2.gz NMWXLXPKCBMLTB-CYBMUJFWSA-N 1 0 249.354 1.741 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2cccc(CO)c2)C1 ZINC000616628575 351098293 /nfs/dbraw/zinc/09/82/93/351098293.db2.gz PAKHDYFZEJPNQW-HNNXBMFYSA-N 1 0 248.370 1.707 10 0 BDAERO Cl/C=C/C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000307059254 180567264 /nfs/dbraw/zinc/56/72/64/180567264.db2.gz BYPQBNXQUGNILC-NPQLTMNKSA-N 1 0 201.697 1.850 10 0 BDAERO c1cc2cc([C@@H]3C[NH2+]CCO3)ccc2nn1 ZINC000616643249 351156302 /nfs/dbraw/zinc/15/63/02/351156302.db2.gz ZCXKCRWHQNYCER-LBPRGKRZSA-N 1 0 215.256 1.291 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cncnc1 ZINC000616644870 351165843 /nfs/dbraw/zinc/16/58/43/351165843.db2.gz INHCLPXLWURBBQ-LBPRGKRZSA-N 1 0 221.304 1.648 10 0 BDAERO [NH3+]CCN1CCCOC[C@H]1c1ccc(F)cc1 ZINC000616645994 351169299 /nfs/dbraw/zinc/16/92/99/351169299.db2.gz RGKPVQXPBLAUJW-ZDUSSCGKSA-N 1 0 238.306 1.548 10 0 BDAERO C[N@@H+]1CCCO[C@@H](c2ccccc2C(N)=O)C1 ZINC000616653610 351193634 /nfs/dbraw/zinc/19/36/34/351193634.db2.gz ZBZCNWLSBYGPPJ-GFCCVEGCSA-N 1 0 234.299 1.179 10 0 BDAERO [NH3+]CCN1CCCOC[C@@H]1c1ccccc1F ZINC000616646503 351171473 /nfs/dbraw/zinc/17/14/73/351171473.db2.gz PRWUOOLJRFYHDL-CYBMUJFWSA-N 1 0 238.306 1.548 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@H](n2ccnc2)C1 ZINC000616650064 351173509 /nfs/dbraw/zinc/17/35/09/351173509.db2.gz RWLRHDMOYSZSMV-NSHDSACASA-N 1 0 223.320 1.903 10 0 BDAERO CC[N@@H+]1CCCO[C@H](c2ncccn2)C1 ZINC000616650322 351176555 /nfs/dbraw/zinc/17/65/55/351176555.db2.gz WWTDOFUYDUOUGV-JTQLQIEISA-N 1 0 207.277 1.260 10 0 BDAERO CNc1ccccc1[C@@H]1C[NH2+]CCCO1 ZINC000616653510 351193967 /nfs/dbraw/zinc/19/39/67/351193967.db2.gz YFLIEDYRQCVVFX-LBPRGKRZSA-N 1 0 206.289 1.779 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2cocn2)C1 ZINC000616652758 351186032 /nfs/dbraw/zinc/18/60/32/351186032.db2.gz JQHDQCGOQSZPRU-LLVKDONJSA-N 1 0 210.277 1.846 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2cnco2)C1 ZINC000616651857 351188950 /nfs/dbraw/zinc/18/89/50/351188950.db2.gz AVSWRVAZZWKLLE-LLVKDONJSA-N 1 0 210.277 1.846 10 0 BDAERO c1nc([C@@H]2C[NH2+]CCN2Cc2ccccc2)co1 ZINC000616636747 351127884 /nfs/dbraw/zinc/12/78/84/351127884.db2.gz YCRZGRPHJKWSNE-AWEZNQCLSA-N 1 0 243.310 1.821 10 0 BDAERO CC(C)N1CCOC[C@@H]1c1ccccc1C(N)=O ZINC000616638519 351139847 /nfs/dbraw/zinc/13/98/47/351139847.db2.gz WJNFPQIMWUWUQD-CYBMUJFWSA-N 1 0 248.326 1.567 10 0 BDAERO CN1CCOC[C@@H]1c1cccc(CCO)c1 ZINC000616638628 351140515 /nfs/dbraw/zinc/14/05/15/351140515.db2.gz YZGDHWCNKLMRGT-CYBMUJFWSA-N 1 0 221.300 1.225 10 0 BDAERO [NH3+]CCN1CC[C@H](c2conn2)c2ccccc21 ZINC000616677007 351242326 /nfs/dbraw/zinc/24/23/26/351242326.db2.gz ZUVMWZHFXZGEKX-JTQLQIEISA-N 1 0 244.298 1.370 10 0 BDAERO CC(=O)[C@@H]1c2ccccc2CCN1CCO ZINC000616678092 351245373 /nfs/dbraw/zinc/24/53/73/351245373.db2.gz AZEKVNYXSIQIJP-CYBMUJFWSA-N 1 0 219.284 1.167 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cn[nH]c1 ZINC000616681203 351248756 /nfs/dbraw/zinc/24/87/56/351248756.db2.gz VSSKFSCADBSVDL-CQSZACIVSA-N 1 0 242.326 1.316 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2ccccc2C(N)=O)CC1 ZINC000616684169 351255161 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180663031 /nfs/dbraw/zinc/66/30/31/180663031.db2.gz JTWYJRVADPLXQT-JTQLQIEISA-N 1 0 225.361 1.902 10 0 BDAERO CC(C)[C@H](C)NC(=O)Nc1cccc(C[NH3+])n1 ZINC000725269947 538101692 /nfs/dbraw/zinc/10/16/92/538101692.db2.gz ASFPDNKAPYJXGW-VIFPVBQESA-N 1 0 236.319 1.706 10 0 BDAERO CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CCO[C@H]1C ZINC000638169349 352033281 /nfs/dbraw/zinc/03/32/81/352033281.db2.gz LGZRBUHTJLKOTK-DCAQKATOSA-N 1 0 228.336 1.044 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCC34CC4)C[C@@H]12 ZINC000638168700 352035906 /nfs/dbraw/zinc/03/59/06/352035906.db2.gz UTZXSJRFZKUKQR-FDYHWXHSSA-N 1 0 248.370 1.762 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC34CC4)C[C@H]12 ZINC000638168702 352036331 /nfs/dbraw/zinc/03/63/31/352036331.db2.gz UTZXSJRFZKUKQR-MROQNXINSA-N 1 0 248.370 1.762 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000077299144 187599472 /nfs/dbraw/zinc/59/94/72/187599472.db2.gz RJZBKZSPBSLQSA-LBPRGKRZSA-N 1 0 205.305 1.436 10 0 BDAERO COc1ccc(C)cc1C[C@@H](O)[C@@H]1CCC[NH2+]1 ZINC000041266264 187602861 /nfs/dbraw/zinc/60/28/61/187602861.db2.gz PXTYIEHKGYXYQU-QWHCGFSZSA-N 1 0 235.327 1.659 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCCO1 ZINC000623872118 352082933 /nfs/dbraw/zinc/08/29/33/352082933.db2.gz VZWNWRGANZKROK-LOWDOPEQSA-N 1 0 227.348 1.837 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1F ZINC000037764161 187597512 /nfs/dbraw/zinc/59/75/12/187597512.db2.gz HHXLQCOUSBSCED-CABZTGNLSA-N 1 0 238.306 1.986 10 0 BDAERO Cc1cccnc1C(=O)N(C)C[C@H](C)C[NH3+] ZINC000051790611 187609882 /nfs/dbraw/zinc/60/98/82/187609882.db2.gz ZTIYNMSFVNLOEH-SECBINFHSA-N 1 0 221.304 1.057 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1CCCO ZINC000052763616 187610486 /nfs/dbraw/zinc/61/04/86/187610486.db2.gz JSUUNIFMRTXPPE-NWDGAFQWSA-N 1 0 242.363 1.123 10 0 BDAERO Cc1cc(Br)c(=O)n([C@@H](C)C[NH3+])c1 ZINC000057834336 187612486 /nfs/dbraw/zinc/61/24/86/187612486.db2.gz GLHJJYPVGFYLIZ-ZETCQYMHSA-N 1 0 245.120 1.439 10 0 BDAERO CCn1nncc1[C@H]([NH3+])[C@@H]1CCCS1 ZINC000300891170 363110325 /nfs/dbraw/zinc/11/03/25/363110325.db2.gz PSNGADOYJXSXSA-IUCAKERBSA-N 1 0 212.322 1.193 10 0 BDAERO CCn1nncc1[C@@H]([NH3+])[C@@H]1CCCS1 ZINC000300891169 363111178 /nfs/dbraw/zinc/11/11/78/363111178.db2.gz PSNGADOYJXSXSA-DTWKUNHWSA-N 1 0 212.322 1.193 10 0 BDAERO [NH3+]CCCc1cncc(Br)c1 ZINC000044281111 187606179 /nfs/dbraw/zinc/60/61/79/187606179.db2.gz WHNTVBUPMUHJHJ-UHFFFAOYSA-N 1 0 215.094 1.735 10 0 BDAERO CSC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000300928456 363147023 /nfs/dbraw/zinc/14/70/23/363147023.db2.gz ZLGKOHLVLNAYFW-MNOVXSKESA-N 1 0 215.362 1.727 10 0 BDAERO CCC[C@@H](CNC(=O)[C@H]([NH3+])CC(C)C)OCC ZINC000638458006 352268776 /nfs/dbraw/zinc/26/87/76/352268776.db2.gz QLTJFTYYGDRHGT-NWDGAFQWSA-N 1 0 244.379 1.681 10 0 BDAERO C[C@]1(C(=O)NCC2CC=CC2)CCCC[NH2+]1 ZINC000638494515 352309104 /nfs/dbraw/zinc/30/91/04/352309104.db2.gz XNAUCLMXWLQWSR-CYBMUJFWSA-N 1 0 222.332 1.601 10 0 BDAERO OC[C@@H]1CCCC[N@H+](C/C=C\Cl)C1 ZINC000393533770 352353541 /nfs/dbraw/zinc/35/35/41/352353541.db2.gz FKIUXWUBOVECAL-TZGMSPROSA-N 1 0 203.713 1.833 10 0 BDAERO CC(C)COC(=O)N1[C@@H](C)C[C@H]2C[NH2+]C[C@H]21 ZINC000216241603 187663838 /nfs/dbraw/zinc/66/38/38/187663838.db2.gz RYIGOQFWMTVKTB-GARJFASQSA-N 1 0 226.320 1.461 10 0 BDAERO N[C@@H](CC[NH3+])c1c(F)ccc(Cl)c1F ZINC000307356039 352324788 /nfs/dbraw/zinc/32/47/88/352324788.db2.gz YZJBREBLTXRRIC-ZETCQYMHSA-N 1 0 220.650 1.967 10 0 BDAERO CN(c1ccc(Cl)cn1)C1CC([NH3+])C1 ZINC000306957202 187664118 /nfs/dbraw/zinc/66/41/18/187664118.db2.gz STJPDCLPTTYFEF-UHFFFAOYSA-N 1 0 211.696 1.661 10 0 BDAERO C[C@H](O)C[N@H+](C)[C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725270834 538102838 /nfs/dbraw/zinc/10/28/38/538102838.db2.gz FNBPTOOCOLONPU-NWBUJAPZSA-N 1 0 225.332 1.257 10 0 BDAERO CCOC(=O)[C@@H]1CC[C@@H]([NH3+])C[C@H]1C(F)(F)F ZINC000725271455 538102992 /nfs/dbraw/zinc/10/29/92/538102992.db2.gz NKIRDPAVTFXOMW-BWZBUEFSSA-N 1 0 239.237 1.855 10 0 BDAERO CCCC(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725271487 538103460 /nfs/dbraw/zinc/10/34/60/538103460.db2.gz GPUJFWXGAWWYQK-LLVKDONJSA-N 1 0 240.347 1.156 10 0 BDAERO Cc1ncc(Br)c(C(C)(C)[NH3+])n1 ZINC000307371910 352470536 /nfs/dbraw/zinc/47/05/36/352470536.db2.gz QLWDCGQFXLMUGW-UHFFFAOYSA-N 1 0 230.109 1.741 10 0 BDAERO C[C@@H]1CS[C@](C)([C@H]2CCCC[NH2+]2)N1 ZINC000307373537 352471876 /nfs/dbraw/zinc/47/18/76/352471876.db2.gz SGWZBFOOQXUAPO-OPRDCNLKSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(F)(F)C[C@H]1C ZINC000638631728 352472236 /nfs/dbraw/zinc/47/22/36/352472236.db2.gz SPSBSLPLRNVDIE-OPRDCNLKSA-N 1 0 246.301 1.488 10 0 BDAERO CCOC(=O)C1CC2(C1)C[C@@H]([NH3+])CCS2 ZINC000725271661 538103536 /nfs/dbraw/zinc/10/35/36/538103536.db2.gz JOCJFFPPHNTWBZ-YUCVTWSNSA-N 1 0 229.345 1.553 10 0 BDAERO C[C@H]1CCCN(c2ncns2)[C@H]1C[NH3+] ZINC000252177051 363190614 /nfs/dbraw/zinc/19/06/14/363190614.db2.gz PERJKWNHNXOYMU-YUMQZZPRSA-N 1 0 212.322 1.102 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCN=C1CC[NH3+] ZINC000725272499 538104054 /nfs/dbraw/zinc/10/40/54/538104054.db2.gz NBIHLIYJHVNTFT-SECBINFHSA-N 1 0 211.309 1.012 10 0 BDAERO C[C@H](C(=O)N1CC(F)(C[NH3+])C1)C(C)(C)C ZINC000725272408 538104063 /nfs/dbraw/zinc/10/40/63/538104063.db2.gz DHBBPVCIYGUNKW-MRVPVSSYSA-N 1 0 216.300 1.178 10 0 BDAERO Cn1ccnc1OCC[C@H]1CCCC[NH2+]1 ZINC000051871374 180753415 /nfs/dbraw/zinc/75/34/15/180753415.db2.gz VKIZWAAWPOQULE-SNVBAGLBSA-N 1 0 209.293 1.331 10 0 BDAERO O=C1[C@H]2CC[NH2+]C[C@H]2CN1Cc1ccccc1 ZINC000307411547 352589352 /nfs/dbraw/zinc/58/93/52/352589352.db2.gz HQBNUKOEZYAZBH-STQMWFEESA-N 1 0 230.311 1.255 10 0 BDAERO COc1ncc([C@H]2CCC[C@H]2C[NH3+])s1 ZINC000307424129 352592329 /nfs/dbraw/zinc/59/23/29/352592329.db2.gz VDNLQUAARMRDJO-YUMQZZPRSA-N 1 0 212.318 1.994 10 0 BDAERO C[C@@H]1CC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000307425176 352592513 /nfs/dbraw/zinc/59/25/13/352592513.db2.gz QLISHSZCFPAMQA-BXUZGUMPSA-N 1 0 229.327 1.986 10 0 BDAERO O=C1[C@@H]2CCC[NH2+][C@H]2CN1Cc1ccccc1 ZINC000232285133 352596011 /nfs/dbraw/zinc/59/60/11/352596011.db2.gz ZLWCCFOGFMYOTP-OLZOCXBDSA-N 1 0 230.311 1.397 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](NC(=O)NCc2ccccc2)C1 ZINC000232304191 352610590 /nfs/dbraw/zinc/61/05/90/352610590.db2.gz RPMOEMZRFGOHTP-WCQYABFASA-N 1 0 247.342 1.484 10 0 BDAERO C[C@@H]([NH3+])c1ccn(Cc2cnns2)c1 ZINC000307393018 352569022 /nfs/dbraw/zinc/56/90/22/352569022.db2.gz LNETULAJVIZMKS-SSDOTTSWSA-N 1 0 208.290 1.408 10 0 BDAERO CC1(C)C[N@@H+]([C@H]2CCC(=O)C2)CCCO1 ZINC000307399516 352571985 /nfs/dbraw/zinc/57/19/85/352571985.db2.gz XAESHLIOMNWDII-JTQLQIEISA-N 1 0 211.305 1.609 10 0 BDAERO C[C@](O)(C[NH3+])c1c(F)cccc1Cl ZINC000307397377 352573964 /nfs/dbraw/zinc/57/39/64/352573964.db2.gz VLSDLRNCUAPLIS-VIFPVBQESA-N 1 0 203.644 1.645 10 0 BDAERO Cc1nnc([C@@]2(C[NH3+])CCC[C@@H]2C)s1 ZINC000307404264 352579500 /nfs/dbraw/zinc/57/95/00/352579500.db2.gz DXUZYWJVGSBHSR-OIBJUYFYSA-N 1 0 211.334 1.863 10 0 BDAERO C[C@@H]1CC(Cc2csnn2)=C[C@@H]([NH3+])C1 ZINC000307572949 352658347 /nfs/dbraw/zinc/65/83/47/352658347.db2.gz ZKNRWTPCNPZAFR-APPZFPTMSA-N 1 0 209.318 1.764 10 0 BDAERO CN(c1ccc(Cl)nn1)[C@H]1CC[N@H+](C)C1 ZINC000307585714 352660342 /nfs/dbraw/zinc/66/03/42/352660342.db2.gz MVKLOEBPYGFRBV-QMMMGPOBSA-N 1 0 226.711 1.270 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N1CCCC1 ZINC000307610698 352667251 /nfs/dbraw/zinc/66/72/51/352667251.db2.gz FVVDQZDSMPTMKX-UHFFFAOYSA-N 1 0 203.289 1.807 10 0 BDAERO CC1(Nc2ccc(Br)cn2)C[NH2+]C1 ZINC000307491319 352624175 /nfs/dbraw/zinc/62/41/75/352624175.db2.gz GIWQDYJRGITKEP-UHFFFAOYSA-N 1 0 242.120 1.618 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCOC3CCC3)C[C@H]2C1 ZINC000412047768 191242682 /nfs/dbraw/zinc/24/26/82/191242682.db2.gz PHNFFMAJQMFUSP-YNEHKIRRSA-N 1 0 239.359 1.648 10 0 BDAERO O[C@]1(Cc2csc(Cl)c2)CC[NH2+]C1 ZINC000307619553 352679458 /nfs/dbraw/zinc/67/94/58/352679458.db2.gz YHMSSCPXWBHNIN-VIFPVBQESA-N 1 0 217.721 1.668 10 0 BDAERO CC1(C(=O)N2CCCCC[C@H]2C[NH3+])CC1 ZINC000308834245 538105267 /nfs/dbraw/zinc/10/52/67/538105267.db2.gz VQGULDMONTULOS-JTQLQIEISA-N 1 0 210.321 1.516 10 0 BDAERO Cc1nc(Cl)c(F)c(N2CC[NH2+]C[C@H]2C)n1 ZINC000725273392 538105122 /nfs/dbraw/zinc/10/51/22/538105122.db2.gz YOSBBVSSGVURFV-ZCFIWIBFSA-N 1 0 244.701 1.376 10 0 BDAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000074174596 538105655 /nfs/dbraw/zinc/10/56/55/538105655.db2.gz FALAUYKCTAIKNT-VXGBXAGGSA-N 1 0 208.280 1.920 10 0 BDAERO CCCCOCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336748907 352980148 /nfs/dbraw/zinc/98/01/48/352980148.db2.gz YIXTWYACJCXCGM-QWRGUYRKSA-N 1 0 228.336 1.060 10 0 BDAERO C[C@]1(C(=O)N[C@H]2CCCC23CC3)CCC[NH2+]1 ZINC000638834843 353020299 /nfs/dbraw/zinc/02/02/99/353020299.db2.gz RQHBSVPXVUKRSS-CMPLNLGQSA-N 1 0 222.332 1.577 10 0 BDAERO OCc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000638859207 353036112 /nfs/dbraw/zinc/03/61/12/353036112.db2.gz ZRDUPHKGXMXZHL-KBPBESRZSA-N 1 0 235.327 1.572 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCC12CC2 ZINC000638834227 353009805 /nfs/dbraw/zinc/00/98/05/353009805.db2.gz NLPNZLUBIWOFSL-SDDRHHMPSA-N 1 0 236.359 1.810 10 0 BDAERO C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1C[NH3+] ZINC000638898994 353061637 /nfs/dbraw/zinc/06/16/37/353061637.db2.gz OJFWNBKHUPNUES-SKDRFNHKSA-N 1 0 236.359 1.476 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1O ZINC000638903183 353064103 /nfs/dbraw/zinc/06/41/03/353064103.db2.gz NQWZKPPNDHANPF-ZYHUDNBSSA-N 1 0 248.326 1.367 10 0 BDAERO C[C@H]1C[C@H]([NH2+]CC2(F)CCC2)CN1C ZINC000307304509 353067491 /nfs/dbraw/zinc/06/74/91/353067491.db2.gz CCBHPLFNKFYZJI-UWVGGRQHSA-N 1 0 200.301 1.561 10 0 BDAERO CCC(C)(C)CCNC(=O)[C@@H](C)[NH2+]C ZINC000638867056 353041275 /nfs/dbraw/zinc/04/12/75/353041275.db2.gz YTYTWMDSHSQTRI-SECBINFHSA-N 1 0 200.326 1.537 10 0 BDAERO [NH3+]CC[C@H](O)c1cc(Cl)ccc1F ZINC000083264759 538107252 /nfs/dbraw/zinc/10/72/52/538107252.db2.gz PUAGLGLIXOUFKK-VIFPVBQESA-N 1 0 203.644 1.861 10 0 BDAERO CCC[C@H](C)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638887924 353049514 /nfs/dbraw/zinc/04/95/14/353049514.db2.gz WQRWMPBRCSBIEL-AXFHLTTASA-N 1 0 212.337 1.476 10 0 BDAERO CCc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638884284 353051558 /nfs/dbraw/zinc/05/15/58/353051558.db2.gz GVIHGIFRRQQIHW-FZMZJTMJSA-N 1 0 246.354 1.916 10 0 BDAERO C[C@@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1C[NH3+] ZINC000638884677 353051903 /nfs/dbraw/zinc/05/19/03/353051903.db2.gz IIRWRXTYPUONEM-KOLCDFICSA-N 1 0 238.356 1.344 10 0 BDAERO C[C@H]1CN(C(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000638884776 353052020 /nfs/dbraw/zinc/05/20/20/353052020.db2.gz JSMKGUBYLDQOFJ-CMPLNLGQSA-N 1 0 218.300 1.353 10 0 BDAERO CC(C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638885173 353052127 /nfs/dbraw/zinc/05/21/27/353052127.db2.gz HIWVIYIHPSIQKX-MNOVXSKESA-N 1 0 212.337 1.476 10 0 BDAERO Cc1ccoc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638885651 353052704 /nfs/dbraw/zinc/05/27/04/353052704.db2.gz DHAMHMXYOOZIQB-VHSXEESVSA-N 1 0 222.288 1.255 10 0 BDAERO Cc1ccncc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638888975 353053772 /nfs/dbraw/zinc/05/37/72/353053772.db2.gz BTEORKTWEUGMPR-MNOVXSKESA-N 1 0 233.315 1.057 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1C[NH3+] ZINC000638896538 353057441 /nfs/dbraw/zinc/05/74/41/353057441.db2.gz ZOMCIRQWTRCSMG-YPMHNXCESA-N 1 0 247.342 1.067 10 0 BDAERO Cc1nc([C@@]2(O)CCC[C@H]([NH3+])C2)cs1 ZINC000307718495 353109148 /nfs/dbraw/zinc/10/91/48/353109148.db2.gz LJLJOHVBSGPKRN-WCBMZHEXSA-N 1 0 212.318 1.540 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CCN1OCc1ccccc1 ZINC000307725317 353113948 /nfs/dbraw/zinc/11/39/48/353113948.db2.gz BRIHJMNUZQSSQC-AAEUAGOBSA-N 1 0 220.316 1.930 10 0 BDAERO CC[C@@H]1CC[NH2+][C@H]([C@@](C)(F)[C@@H](C)N)C1 ZINC000307738219 353122572 /nfs/dbraw/zinc/12/25/72/353122572.db2.gz WHOXIXUPOIFJBN-ZNSHCXBVSA-N 1 0 202.317 1.840 10 0 BDAERO COc1ncc([C@@]2(F)CC[C@@H]([NH3+])C2)s1 ZINC000307755546 353130064 /nfs/dbraw/zinc/13/00/64/353130064.db2.gz DXBCUAPCESLQMK-HZGVNTEJSA-N 1 0 216.281 1.828 10 0 BDAERO [NH3+][C@H](C1=COCCC1)[C@@H]1CSCCS1 ZINC000160127734 353143915 /nfs/dbraw/zinc/14/39/15/353143915.db2.gz AZJGWBDZFKHRER-VHSXEESVSA-N 1 0 231.386 1.857 10 0 BDAERO [NH3+][C@H](C1=COCCC1)[C@H]1CSCCO1 ZINC000160129360 353145512 /nfs/dbraw/zinc/14/55/12/353145512.db2.gz GNUPXXMFXKETFB-NXEZZACHSA-N 1 0 215.318 1.140 10 0 BDAERO C[NH2+][C@@H](C)c1nc2cc(OC)ccc2[nH]1 ZINC000083187352 538111134 /nfs/dbraw/zinc/11/11/34/538111134.db2.gz OCKJGBKTRPFDRY-ZETCQYMHSA-N 1 0 205.261 1.852 10 0 BDAERO COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000225693565 538113777 /nfs/dbraw/zinc/11/37/77/538113777.db2.gz YBHYGGGLRIWPRA-GMTAPVOTSA-N 1 0 201.310 1.162 10 0 BDAERO OC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000311154546 538113245 /nfs/dbraw/zinc/11/32/45/538113245.db2.gz WTPATPSFYYZQPK-QEJZJMRPSA-N 1 0 249.354 1.861 10 0 BDAERO C/C=C\C[C@H](CO)NC(=O)[C@@H](CCC)[NH+](C)C ZINC000354218508 188235731 /nfs/dbraw/zinc/23/57/31/188235731.db2.gz UMJXDZNIMHRAJF-LWSHCTJVSA-N 1 0 242.363 1.160 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NCc1cocn1 ZINC000192307671 188253996 /nfs/dbraw/zinc/25/39/96/188253996.db2.gz CNXSGMQPAZUSAR-LLVKDONJSA-N 1 0 225.336 1.741 10 0 BDAERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)C1OCCO1 ZINC000123833059 188256922 /nfs/dbraw/zinc/25/69/22/188256922.db2.gz GGEGEFKDBZBPNW-VXGBXAGGSA-N 1 0 241.331 1.393 10 0 BDAERO CC(=O)Nc1ccc(C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000074367750 188269615 /nfs/dbraw/zinc/26/96/15/188269615.db2.gz SKSJFTWFOYVBRG-GFCCVEGCSA-N 1 0 232.283 1.580 10 0 BDAERO Cc1cc(C)n(-c2ccc(O)cc2C[NH3+])n1 ZINC000090608809 188271526 /nfs/dbraw/zinc/27/15/26/188271526.db2.gz KARMGCLIZAHYCY-UHFFFAOYSA-N 1 0 217.272 1.653 10 0 BDAERO CC(C)[C@H](NC(=O)[C@H](C)[NH3+])c1cccs1 ZINC000037031178 188279982 /nfs/dbraw/zinc/27/99/82/188279982.db2.gz ZSNXEKWJIOKXBC-WPRPVWTQSA-N 1 0 226.345 1.909 10 0 BDAERO CC(C)C[C@]([NH3+])(C(N)=O)c1ccccc1 ZINC000037460018 188280321 /nfs/dbraw/zinc/28/03/21/188280321.db2.gz QQYSOVFBAPTUTM-GFCCVEGCSA-N 1 0 206.289 1.372 10 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BDAERO CN(C)c1ccc(N2CC[C@H](C[NH3+])C2)cc1 ZINC000036335641 188286460 /nfs/dbraw/zinc/28/64/60/188286460.db2.gz FSFBCMBUENKWLH-LLVKDONJSA-N 1 0 219.332 1.538 10 0 BDAERO CC1(C)Oc2ccc(NC(=O)C[NH3+])cc2O1 ZINC000037011897 188286560 /nfs/dbraw/zinc/28/65/60/188286560.db2.gz QTYOTAMHWPARGJ-UHFFFAOYSA-N 1 0 222.244 1.091 10 0 BDAERO Cn1cccc1[C@H]1CCCCCN1C(=O)C[NH3+] ZINC000037801908 188288712 /nfs/dbraw/zinc/28/87/12/188288712.db2.gz FSIGZYFZHOJLKB-GFCCVEGCSA-N 1 0 235.331 1.428 10 0 BDAERO CCC[NH2+][C@@H](C(N)=O)c1cccc(OCC)c1 ZINC000037870912 188289611 /nfs/dbraw/zinc/28/96/11/188289611.db2.gz UVZUYCZXRPJTMW-GFCCVEGCSA-N 1 0 236.315 1.611 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@H]([NH3+])C(C)(C)C ZINC000077558698 188290703 /nfs/dbraw/zinc/29/07/03/188290703.db2.gz SLKJWYGHMUDXTI-IUCAKERBSA-N 1 0 200.326 1.521 10 0 BDAERO C([C@H]1CCCC[NH2+]1)N1CCCSCC1 ZINC000042444864 188293384 /nfs/dbraw/zinc/29/33/84/188293384.db2.gz FRKLEHBLMNAPIB-LLVKDONJSA-N 1 0 214.378 1.567 10 0 BDAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCN3)C1 ZINC000042549155 188293817 /nfs/dbraw/zinc/29/38/17/188293817.db2.gz QAKWGDXRZOQTLO-LBPRGKRZSA-N 1 0 245.326 1.089 10 0 BDAERO FC(F)(F)c1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000083018595 188295059 /nfs/dbraw/zinc/29/50/59/188295059.db2.gz DIBSREBIAJPNCN-RXMQYKEDSA-N 1 0 221.182 1.383 10 0 BDAERO C[NH2+][C@@H]1CCN(CCc2ccco2)[C@@H](C)C1 ZINC000049713514 188299194 /nfs/dbraw/zinc/29/91/94/188299194.db2.gz INWSGNAENYKORQ-NWDGAFQWSA-N 1 0 222.332 1.894 10 0 BDAERO Cc1cnc(SC[C@H]2CC[NH2+]C2)nc1 ZINC000051891178 188299519 /nfs/dbraw/zinc/29/95/19/188299519.db2.gz IBGJJQPPVNELOV-VIFPVBQESA-N 1 0 209.318 1.487 10 0 BDAERO Cc1n[nH]c(C)c1C(=O)NC1CCC([NH3+])CC1 ZINC000051694980 188299627 /nfs/dbraw/zinc/29/96/27/188299627.db2.gz YRNUAJSPJVWZHE-UHFFFAOYSA-N 1 0 236.319 1.026 10 0 BDAERO Cc1nccn1CC[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052015179 188299896 /nfs/dbraw/zinc/29/98/96/188299896.db2.gz FJUMRSWHHPFQIJ-NEPJUHHUSA-N 1 0 223.320 1.085 10 0 BDAERO Cc1ccc(C)c(CC(=O)N[C@H]2C[C@H]2[NH3+])c1 ZINC000053144885 188300723 /nfs/dbraw/zinc/30/07/23/188300723.db2.gz XLWIBBITEAFQJP-NEPJUHHUSA-N 1 0 218.300 1.062 10 0 BDAERO C(c1noc([C@@H]2CCOC2)n1)[C@H]1CCC[NH2+]C1 ZINC000063084704 188303999 /nfs/dbraw/zinc/30/39/99/188303999.db2.gz XNFWKQPPBYNONC-NXEZZACHSA-N 1 0 237.303 1.116 10 0 BDAERO C([C@@H]1CCCO1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190284 188304163 /nfs/dbraw/zinc/30/41/63/188304163.db2.gz OERPJYRKGYWBIQ-IHRRRGAJSA-N 1 0 238.375 1.772 10 0 BDAERO CC(C)Cc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084737 188304309 /nfs/dbraw/zinc/30/43/09/188304309.db2.gz KKUICWGTGIMPDC-SNVBAGLBSA-N 1 0 223.320 1.810 10 0 BDAERO Cc1nn(Cc2ccccc2)cc1C[NH3+] ZINC000070630912 188304500 /nfs/dbraw/zinc/30/45/00/188304500.db2.gz UHMHZEFGVGOGDF-UHFFFAOYSA-N 1 0 201.273 1.699 10 0 BDAERO CCOc1ccc(CC[C@@H]([NH3+])CO)cc1 ZINC000071511680 188305460 /nfs/dbraw/zinc/30/54/60/188305460.db2.gz LUPDRNBIESXOBY-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO CCOc1ccc(CC[C@H]([NH3+])CO)cc1 ZINC000071511679 188305760 /nfs/dbraw/zinc/30/57/60/188305760.db2.gz LUPDRNBIESXOBY-NSHDSACASA-N 1 0 209.289 1.338 10 0 BDAERO COc1ccc(Cn2cnc(C[NH3+])c2)cc1OC ZINC000071561653 188306454 /nfs/dbraw/zinc/30/64/54/188306454.db2.gz FEQYBPORMIBXSS-UHFFFAOYSA-N 1 0 247.298 1.407 10 0 BDAERO FC(F)(F)c1nc2c(s1)C[NH2+]CC2 ZINC000074177713 188306560 /nfs/dbraw/zinc/30/65/60/188306560.db2.gz XGUALGYMAJUNLG-UHFFFAOYSA-N 1 0 208.208 1.808 10 0 BDAERO CC(C)N(C)C(=O)CN1[C@H](C)CCC[C@H]1C[NH3+] ZINC000104157027 188323456 /nfs/dbraw/zinc/32/34/56/188323456.db2.gz YTMNOYPAWRCGCC-NEPJUHHUSA-N 1 0 241.379 1.055 10 0 BDAERO Cc1cnc(C)c(N(C)C[C@H](C)C[NH3+])n1 ZINC000042455689 188324184 /nfs/dbraw/zinc/32/41/84/188324184.db2.gz DJTMYSXKVYAXPX-MRVPVSSYSA-N 1 0 208.309 1.124 10 0 BDAERO CC(C)[C@H](CC[NH3+])C(=O)NCc1ccccn1 ZINC000076618073 188309326 /nfs/dbraw/zinc/30/93/26/188309326.db2.gz XOXZOGMDCDLSDU-LBPRGKRZSA-N 1 0 235.331 1.319 10 0 BDAERO Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000135450558 538115244 /nfs/dbraw/zinc/11/52/44/538115244.db2.gz QMKZOAVALVNCEO-CHWSQXEVSA-N 1 0 220.316 1.783 10 0 BDAERO CC(C)(C)OC(=O)N1CCCO[C@@H](CC[NH3+])C1 ZINC000076688666 188311287 /nfs/dbraw/zinc/31/12/87/188311287.db2.gz FHAIRWBJEGGKKU-JTQLQIEISA-N 1 0 244.335 1.361 10 0 BDAERO Cc1cc(N(C)C[C@H]2CCC[NH2+]2)nc(Cl)n1 ZINC000095070921 188319057 /nfs/dbraw/zinc/31/90/57/188319057.db2.gz VNOJEDYBJURURO-SECBINFHSA-N 1 0 240.738 1.627 10 0 BDAERO Cc1c(F)cccc1N1CC[C@@H](C[NH3+])C1 ZINC000043321383 188325246 /nfs/dbraw/zinc/32/52/46/188325246.db2.gz WGBVJDKXKPWABC-JTQLQIEISA-N 1 0 208.280 1.919 10 0 BDAERO Cc1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000125963145 188330468 /nfs/dbraw/zinc/33/04/68/188330468.db2.gz QGWKVZNPEBQUFF-CMPLNLGQSA-N 1 0 223.320 1.386 10 0 BDAERO C[NH2+]Cc1ccc(Cn2ccnc2C)o1 ZINC000052576079 188333291 /nfs/dbraw/zinc/33/32/91/188333291.db2.gz DODWHFQTJLDONP-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCOCC2)o1 ZINC000162305027 188335369 /nfs/dbraw/zinc/33/53/69/188335369.db2.gz SZGLIWWVRMYBJW-LLVKDONJSA-N 1 0 239.315 1.780 10 0 BDAERO CNc1ccc(C[NH3+])cc1Br ZINC000169177409 188337108 /nfs/dbraw/zinc/33/71/08/188337108.db2.gz NDCAXBODBKMRTR-UHFFFAOYSA-N 1 0 215.094 1.950 10 0 BDAERO CC[C@@](C)(O)C[NH2+]Cc1csc(COC)n1 ZINC000164530601 353389789 /nfs/dbraw/zinc/38/97/89/353389789.db2.gz CRAQLDOYFBEODM-LLVKDONJSA-N 1 0 244.360 1.540 10 0 BDAERO C1=[NH+]C[C@@H](C[C@@H]2CCc3ccccc3O2)N1 ZINC000013862102 188343225 /nfs/dbraw/zinc/34/32/25/188343225.db2.gz AGDPTWNZMXTMAR-NEPJUHHUSA-N 1 0 216.284 1.770 10 0 BDAERO c1c2ccccc2oc1C[C@H]1C[NH+]=CN1 ZINC000013862112 188343678 /nfs/dbraw/zinc/34/36/78/188343678.db2.gz XYKLDBVIJCCWKG-JTQLQIEISA-N 1 0 200.241 1.975 10 0 BDAERO Cc1ccc2c(c1)CC[C@]1(C[NH+]=CN1)C2 ZINC000013743758 188343921 /nfs/dbraw/zinc/34/39/21/188343921.db2.gz QDMSKVKJNXFJGO-CYBMUJFWSA-N 1 0 200.285 1.854 10 0 BDAERO COc1ccccc1NC(=O)C(C)(C)[NH3+] ZINC000019672589 188349754 /nfs/dbraw/zinc/34/97/54/188349754.db2.gz AVTSJGSAOPZGHR-UHFFFAOYSA-N 1 0 208.261 1.371 10 0 BDAERO CC(C)N(CC[NH3+])C(=O)c1ccccc1 ZINC000020183206 188351453 /nfs/dbraw/zinc/35/14/53/188351453.db2.gz XPRAFJPKHKTWGN-UHFFFAOYSA-N 1 0 206.289 1.496 10 0 BDAERO CC(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000020233060 188352797 /nfs/dbraw/zinc/35/27/97/188352797.db2.gz TVNDZGMOBQHDKC-UHFFFAOYSA-N 1 0 210.252 1.527 10 0 BDAERO CCOC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000230017238 353420540 /nfs/dbraw/zinc/42/05/40/353420540.db2.gz VTGCBIOUYLPWIB-UHFFFAOYSA-N 1 0 236.315 1.994 10 0 BDAERO CC(C)[C@@]1(C)CC(=O)N([C@@H]2CCC[C@@H]2[NH3+])C1=O ZINC000063178016 188361480 /nfs/dbraw/zinc/36/14/80/188361480.db2.gz GXZIELGAQBZDSJ-OPQQBVKSSA-N 1 0 238.331 1.287 10 0 BDAERO CCN(Cc1ccccc1)[C@H](C[NH3+])[C@H]1CCOC1 ZINC000252339130 363229263 /nfs/dbraw/zinc/22/92/63/363229263.db2.gz QTVBTQPQRIRMOY-LSDHHAIUSA-N 1 0 248.370 1.872 10 0 BDAERO O[C@H](C[C@H]1CCCC[NH2+]C1)C(F)(F)F ZINC000134218119 353471373 /nfs/dbraw/zinc/47/13/73/353471373.db2.gz GVLFOVKRIJONCO-HTQZYQBOSA-N 1 0 211.227 1.689 10 0 BDAERO [NH3+]C[C@@]1([C@H]2CCSC2)CCCS1 ZINC000405461575 353497241 /nfs/dbraw/zinc/49/72/41/353497241.db2.gz ITDWYVYLTWCBNN-DTWKUNHWSA-N 1 0 203.376 1.964 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[C@H](C)C1CC1 ZINC000252419747 363237631 /nfs/dbraw/zinc/23/76/31/363237631.db2.gz WTUOCCGTXVQYAC-IQJOONFLSA-N 1 0 212.337 1.617 10 0 BDAERO N#Cc1cnccc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000399022356 353694139 /nfs/dbraw/zinc/69/41/39/353694139.db2.gz HXHVCAURANVOQX-MNOVXSKESA-N 1 0 216.288 1.057 10 0 BDAERO CCCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000310039560 168721542 /nfs/dbraw/zinc/72/15/42/168721542.db2.gz XBWKKKZAWYIDGX-WCQYABFASA-N 1 0 224.348 1.823 10 0 BDAERO Fc1cccc2c1CCN2CC1=[NH+]CCN1 ZINC000211639493 181004794 /nfs/dbraw/zinc/00/47/94/181004794.db2.gz YPWCYNWQTSDNOH-UHFFFAOYSA-N 1 0 219.263 1.190 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195223533 353734574 /nfs/dbraw/zinc/73/45/74/353734574.db2.gz XXWPLRVIJXDQNJ-SDDRHHMPSA-N 1 0 224.348 1.346 10 0 BDAERO CN(CC(F)(F)F)[C@@H]1CCCC[C@H]1[NH3+] ZINC000252439197 363249791 /nfs/dbraw/zinc/24/97/91/363249791.db2.gz LRUDURRJVIEBAT-HTQZYQBOSA-N 1 0 210.243 1.750 10 0 BDAERO CC(C)[C@H]([NH3+])CN1C[C@@H](C)OC[C@H]1C ZINC000252446954 363254736 /nfs/dbraw/zinc/25/47/36/363254736.db2.gz DHVNHEYXIXLLNA-GMTAPVOTSA-N 1 0 200.326 1.079 10 0 BDAERO Fc1cccnc1OCC[C@@H]1CCC[NH2+]C1 ZINC000054701257 181016995 /nfs/dbraw/zinc/01/69/95/181016995.db2.gz HKNHHARRNOCQOK-JTQLQIEISA-N 1 0 224.279 1.989 10 0 BDAERO CC[C@@H]1CS[C@]2(CO[C@H](C)[C@H]2C)[NH2+]1 ZINC000405559685 353867623 /nfs/dbraw/zinc/86/76/23/353867623.db2.gz XCHVWECVKHDRRA-KYXWUPHJSA-N 1 0 201.335 1.853 10 0 BDAERO C[C@H](C[NH3+])N(C)c1nc2ccccc2[nH]1 ZINC000074204754 354183955 /nfs/dbraw/zinc/18/39/55/354183955.db2.gz YKNVRMHNVXOCNT-MRVPVSSYSA-N 1 0 204.277 1.346 10 0 BDAERO CS[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113230062 354298284 /nfs/dbraw/zinc/29/82/84/354298284.db2.gz CPUKALQSGNIJST-HBNTYKKESA-N 1 0 242.388 1.433 10 0 BDAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH2+]C1 ZINC000578027811 366192993 /nfs/dbraw/zinc/19/29/93/366192993.db2.gz MEXAVKFHAFACCM-RDFFEMEHSA-N 1 0 222.332 1.385 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Cc1ccncc1 ZINC000226488387 363423666 /nfs/dbraw/zinc/42/36/66/363423666.db2.gz BTEXBFKNAMRXCI-GHMZBOCLSA-N 1 0 204.273 1.321 10 0 BDAERO [NH2+]=C1N[C@H](c2ccc(Br)cc2)CO1 ZINC000083965055 355123003 /nfs/dbraw/zinc/12/30/03/355123003.db2.gz CWSFSFQMKPGYPP-QMMMGPOBSA-N 1 0 241.088 1.835 10 0 BDAERO CCc1cnc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)o1 ZINC000229726568 355138189 /nfs/dbraw/zinc/13/81/89/355138189.db2.gz HVPRDAHDJQNHAO-NWDGAFQWSA-N 1 0 249.358 1.906 10 0 BDAERO CC(C)c1nccnc1N[C@@H](C)CC[NH+](C)C ZINC000413104405 191353902 /nfs/dbraw/zinc/35/39/02/191353902.db2.gz XLNSQOAFCCYRKP-NSHDSACASA-N 1 0 236.363 1.774 10 0 BDAERO NC(=[NH2+])CCOc1ccc2c(c1)CCC(=O)N2 ZINC000019484663 181186891 /nfs/dbraw/zinc/18/68/91/181186891.db2.gz HDWZTNWXIAEHFQ-UHFFFAOYSA-N 1 0 233.271 1.276 10 0 BDAERO NC(=[NH2+])CCSc1nnc2n1CCCCC2 ZINC000019863468 181186300 /nfs/dbraw/zinc/18/63/00/181186300.db2.gz CAMCKTLOKLRMTI-UHFFFAOYSA-N 1 0 239.348 1.423 10 0 BDAERO [NH3+][C@@H]1CCCO[C@H]1c1ncc(Cl)s1 ZINC000223334266 355370271 /nfs/dbraw/zinc/37/02/71/355370271.db2.gz YXGKBCFMQUGSLL-IYSWYEEDSA-N 1 0 218.709 1.975 10 0 BDAERO NC(=[NH2+])c1ccc(COC[C@H]2CCCO2)cc1 ZINC000019504974 181194279 /nfs/dbraw/zinc/19/42/79/181194279.db2.gz RUDBUNNRBVLXDW-GFCCVEGCSA-N 1 0 234.299 1.666 10 0 BDAERO NC(=[NH2+])c1cc(Sc2nccc(=O)[nH]2)ccn1 ZINC000061814710 181193729 /nfs/dbraw/zinc/19/37/29/181193729.db2.gz IXBWDVWDSVVAEQ-UHFFFAOYSA-N 1 0 247.283 1.012 10 0 BDAERO NC(=[NH2+])c1ccccc1OCc1ccccn1 ZINC000019515002 181196239 /nfs/dbraw/zinc/19/62/39/181196239.db2.gz WHXRWMJYKBIXOK-UHFFFAOYSA-N 1 0 227.267 1.945 10 0 BDAERO NC(=[NH2+])c1ccccc1Sc1ncccn1 ZINC000020077151 181196513 /nfs/dbraw/zinc/19/65/13/181196513.db2.gz CFZUKTCNRXUGDY-UHFFFAOYSA-N 1 0 230.296 1.912 10 0 BDAERO NC(=[NH2+])c1ccc(Sc2nc[nH]n2)cc1 ZINC000019866410 181194885 /nfs/dbraw/zinc/19/48/85/181194885.db2.gz SKTXTZIQHSVIKQ-UHFFFAOYSA-N 1 0 219.273 1.240 10 0 BDAERO NC(=[NH2+])c1ccc(Cn2cccn2)c(F)c1 ZINC000019429461 181195102 /nfs/dbraw/zinc/19/51/02/181195102.db2.gz YMWPRYLGBXESMB-UHFFFAOYSA-N 1 0 218.235 1.355 10 0 BDAERO NC(=[NH2+])c1ccc(OC[C@@H]2CCCO2)c(F)c1 ZINC000036888014 181195106 /nfs/dbraw/zinc/19/51/06/181195106.db2.gz HYYWFBZMUFDBME-VIFPVBQESA-N 1 0 238.262 1.668 10 0 BDAERO C[C@@]1(NC=O)CC[N@H+](Cc2ccccc2)C1 ZINC000405964184 355460489 /nfs/dbraw/zinc/46/04/89/355460489.db2.gz QGMUBZCSINPZAS-CYBMUJFWSA-N 1 0 218.300 1.397 10 0 BDAERO NC(=[NH2+])c1ccccc1COC[C@H]1CCOC1 ZINC000049690345 181195797 /nfs/dbraw/zinc/19/57/97/181195797.db2.gz MIRUGCDQVLPWQA-JTQLQIEISA-N 1 0 234.299 1.524 10 0 BDAERO NC(=[NH2+])c1ccccc1Sc1nncs1 ZINC000020077126 181195850 /nfs/dbraw/zinc/19/58/50/181195850.db2.gz CWXPASJRUSDJEZ-UHFFFAOYSA-N 1 0 236.325 1.973 10 0 BDAERO NC(=[NH2+])c1cccc(CSc2nc[nH]n2)c1 ZINC000019848045 181196346 /nfs/dbraw/zinc/19/63/46/181196346.db2.gz FOGWHWVQSYHKSQ-UHFFFAOYSA-N 1 0 233.300 1.381 10 0 BDAERO NC(=[NH2+])c1cccc(COC[C@@H]2CCOC2)c1 ZINC000049690356 181196190 /nfs/dbraw/zinc/19/61/90/181196190.db2.gz SPEWQXXTUPIMDJ-LLVKDONJSA-N 1 0 234.299 1.524 10 0 BDAERO NC(=[NH2+])c1ccccc1OCC(F)(F)F ZINC000019511417 181196394 /nfs/dbraw/zinc/19/63/94/181196394.db2.gz MTUMVNPYPRNSGA-UHFFFAOYSA-N 1 0 218.178 1.912 10 0 BDAERO NC(=[NH2+])c1ccnc(N2Cc3ccccc3C2)c1 ZINC000050911402 181197980 /nfs/dbraw/zinc/19/79/80/181197980.db2.gz HGVJAMBKLVMLSH-UHFFFAOYSA-N 1 0 238.294 1.886 10 0 BDAERO NC(=[NH2+])c1ccccc1COC[C@@H]1CCCO1 ZINC000019485381 181196530 /nfs/dbraw/zinc/19/65/30/181196530.db2.gz OIDFCXNEIHCHBC-NSHDSACASA-N 1 0 234.299 1.666 10 0 BDAERO NC(=[NH2+])c1ncccc1COCc1ccco1 ZINC000061658562 181197455 /nfs/dbraw/zinc/19/74/55/181197455.db2.gz QBNHSKJUNBDZQH-UHFFFAOYSA-N 1 0 231.255 1.675 10 0 BDAERO CN1C[C@H](C[NH2+]CC2CCSCC2)CC1=O ZINC000639320521 355721608 /nfs/dbraw/zinc/72/16/08/355721608.db2.gz IZAJPLYFEBCGPE-NSHDSACASA-N 1 0 242.388 1.198 10 0 BDAERO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC1(O)CC1 ZINC000329945020 181205284 /nfs/dbraw/zinc/20/52/84/181205284.db2.gz IUVRDWNVRGOICN-DCAQKATOSA-N 1 0 238.331 1.537 10 0 BDAERO C[C@H](C[NH3+])Sc1cc(F)ccc1N ZINC000160252463 355760554 /nfs/dbraw/zinc/76/05/54/355760554.db2.gz FVWKRFDVWKUKCF-ZCFIWIBFSA-N 1 0 200.282 1.847 10 0 BDAERO C[C@@]12CCCC[C@@]1(Br)[N+](=O)N2O ZINC000025979643 355763336 /nfs/dbraw/zinc/76/33/36/355763336.db2.gz MQONQKXBMDYNHE-RNFRBKRXSA-N 1 0 235.081 1.897 10 0 BDAERO C[NH2+][C@@H](C)C(=O)c1cc(Cl)cnc1N ZINC000169074559 358498953 /nfs/dbraw/zinc/49/89/53/358498953.db2.gz SWDFZNVOABGTCW-YFKPBYRVSA-N 1 0 213.668 1.108 10 0 BDAERO C[C@H]1C[C@H]([NH2+]C2CC(CO)C2)CS1 ZINC000639334728 355765481 /nfs/dbraw/zinc/76/54/81/355765481.db2.gz JMZLFBHUCWXIGD-NFTFJBJSSA-N 1 0 201.335 1.241 10 0 BDAERO CCN(C(=O)[C@@H](C)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000399145253 355768636 /nfs/dbraw/zinc/76/86/36/355768636.db2.gz HJNALSALVPZZIS-MNOVXSKESA-N 1 0 226.364 1.879 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2ccnn2CC)C1 ZINC000389139245 355730398 /nfs/dbraw/zinc/73/03/98/355730398.db2.gz GRAFRKAMUZQCBW-NSHDSACASA-N 1 0 222.336 1.087 10 0 BDAERO C[C@H]([NH2+]C1CCN(CCO)CC1)c1ccccc1 ZINC000399161187 355777015 /nfs/dbraw/zinc/77/70/15/355777015.db2.gz CONWSCJHGBPTCU-ZDUSSCGKSA-N 1 0 248.370 1.794 10 0 BDAERO NC(=O)C1([NH2+]C2CCCCCC2)CCC1 ZINC000037970740 181213622 /nfs/dbraw/zinc/21/36/22/181213622.db2.gz NMNYLKLKWNMFRK-UHFFFAOYSA-N 1 0 210.321 1.707 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000399194915 355837518 /nfs/dbraw/zinc/83/75/18/355837518.db2.gz LASGKQAFYYOLSW-GXFFZTMASA-N 1 0 231.299 1.298 10 0 BDAERO CC1=CCN([C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000168499798 355858370 /nfs/dbraw/zinc/85/83/70/355858370.db2.gz CCJJQALZFINLOC-QMMMGPOBSA-N 1 0 208.227 1.528 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2ccnc(C)n2)C1 ZINC000389349425 355979795 /nfs/dbraw/zinc/97/97/95/355979795.db2.gz VAHYTUILYGDKRQ-SNVBAGLBSA-N 1 0 206.293 1.291 10 0 BDAERO C[C@@H]1C[C@H]1C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167383660 355986648 /nfs/dbraw/zinc/98/66/48/355986648.db2.gz XKRWBRLEQBZIEW-MWLCHTKSSA-N 1 0 230.311 1.927 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000216496373 355996742 /nfs/dbraw/zinc/99/67/42/355996742.db2.gz MVCGOKBPBJXIKY-SECBINFHSA-N 1 0 246.301 1.538 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2nccc(C)n2)C1 ZINC000389266187 355943813 /nfs/dbraw/zinc/94/38/13/355943813.db2.gz JKQGWQCAPBZZGR-SNVBAGLBSA-N 1 0 206.293 1.291 10 0 BDAERO NC(=O)CNc1cc[nH+]c2ccccc12 ZINC000041720241 181236922 /nfs/dbraw/zinc/23/69/22/181236922.db2.gz OJFQKGYFSIBXAG-UHFFFAOYSA-N 1 0 201.229 1.132 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccccc1Br ZINC000020577885 181244964 /nfs/dbraw/zinc/24/49/64/181244964.db2.gz ITYVOJHPOQGLEC-QMMMGPOBSA-N 1 0 243.104 1.324 10 0 BDAERO CCOC(=O)COCC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000351720236 356070049 /nfs/dbraw/zinc/07/00/49/356070049.db2.gz SSAIMZWERCHPHL-WDEREUQCSA-N 1 0 227.304 1.050 10 0 BDAERO CC1(C)CN(CCC[NH+]2CCCC2)CC[C@H]1O ZINC000305755172 192018201 /nfs/dbraw/zinc/01/82/01/192018201.db2.gz QVTMRPGMCCCROS-CYBMUJFWSA-N 1 0 240.391 1.565 10 0 BDAERO C[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@@]1(C)C[NH3+] ZINC000420283260 192199946 /nfs/dbraw/zinc/19/99/46/192199946.db2.gz NPYAPVUYHSYDMU-NOZJJQNGSA-N 1 0 245.330 1.379 10 0 BDAERO CC1(C)CO[C@@H](C[N@@H+]2CC[C@@H](CCO)C2)C1 ZINC000639500116 356329078 /nfs/dbraw/zinc/32/90/78/356329078.db2.gz PQKZUMLTMOHQRB-NWDGAFQWSA-N 1 0 227.348 1.506 10 0 BDAERO NC(=O)[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000037514987 181277483 /nfs/dbraw/zinc/27/74/83/181277483.db2.gz IZJGKEJDMICAKG-CYBMUJFWSA-N 1 0 226.279 1.839 10 0 BDAERO Cc1cc(=[NH+]CC[C@@H]2CCCO2)c(C#N)c[nH]1 ZINC000399381809 356486984 /nfs/dbraw/zinc/48/69/84/356486984.db2.gz OHYCVLGTVYYMNJ-LBPRGKRZSA-N 1 0 231.299 1.665 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2ncccc2OC)C1 ZINC000160175387 356544889 /nfs/dbraw/zinc/54/48/89/356544889.db2.gz XPSFYTAGVQGQMC-SNVBAGLBSA-N 1 0 221.304 1.278 10 0 BDAERO Cc1noc(C)c1CC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421026510 192308002 /nfs/dbraw/zinc/30/80/02/192308002.db2.gz RYXMKVYIZQNOQX-CABZTGNLSA-N 1 0 238.331 1.679 10 0 BDAERO Cc1ccccc1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384293519 356558993 /nfs/dbraw/zinc/55/89/93/356558993.db2.gz DWBOLCCXDXNXQQ-HNNXBMFYSA-N 1 0 248.370 1.541 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccns3)C[C@@H]2C1 ZINC000639677445 356593458 /nfs/dbraw/zinc/59/34/58/356593458.db2.gz PJGZOSBYXCJJAC-GARJFASQSA-N 1 0 238.356 1.736 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000639665481 356580417 /nfs/dbraw/zinc/58/04/17/356580417.db2.gz YIPQTZVKURGZCG-UTUOFQBUSA-N 1 0 227.348 1.647 10 0 BDAERO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]C(C)C ZINC000381557763 538468270 /nfs/dbraw/zinc/46/82/70/538468270.db2.gz PTILBXNKNHDGNH-MNOVXSKESA-N 1 0 248.392 1.045 10 0 BDAERO CCCn1cc(CN2CC[NH2+]C[C@H]2C)c(C)n1 ZINC000675057636 538479644 /nfs/dbraw/zinc/47/96/44/538479644.db2.gz GMZVRNVVZYJXOU-LLVKDONJSA-N 1 0 236.363 1.395 10 0 BDAERO CCNC(=O)N1CCOc2ccccc2[C@@H]1C[NH3+] ZINC000675057886 538480658 /nfs/dbraw/zinc/48/06/58/538480658.db2.gz NBKHYLHOIGRQQF-NSHDSACASA-N 1 0 249.314 1.110 10 0 BDAERO CCC(=O)N1CCOc2ccccc2[C@H]1C[NH3+] ZINC000675058092 538480950 /nfs/dbraw/zinc/48/09/50/538480950.db2.gz SBAODJGKIXDRLO-LLVKDONJSA-N 1 0 234.299 1.317 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@@H]([NH3+])[C@H]21 ZINC000675058542 538481176 /nfs/dbraw/zinc/48/11/76/538481176.db2.gz KYYGMGVJOMVZFY-AEJSXWLSSA-N 1 0 226.320 1.733 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000675051005 538473300 /nfs/dbraw/zinc/47/33/00/538473300.db2.gz GIAYWTQLDKTIFC-IJLUTSLNSA-N 1 0 241.379 1.657 10 0 BDAERO CC(C)CC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056565 538478737 /nfs/dbraw/zinc/47/87/37/538478737.db2.gz RWSODTFRYMLNTE-DGCLKSJQSA-N 1 0 224.348 1.762 10 0 BDAERO CC1(C)CC[NH+](C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000675059022 538483724 /nfs/dbraw/zinc/48/37/24/538483724.db2.gz GXQWAPAZJUAHKY-NWDGAFQWSA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CCN2CCC[C@@H]2C1 ZINC000167974538 134155508 /nfs/dbraw/zinc/15/55/08/134155508.db2.gz FFPGACHUARXREG-CHWSQXEVSA-N 1 0 226.364 1.173 10 0 BDAERO CCc1cn2c(n1)[C@H]([C@H]1CCOC1)[NH2+]CCC2 ZINC000675069846 538499206 /nfs/dbraw/zinc/49/92/06/538499206.db2.gz YSFAQFUNAFMODG-JQWIXIFHSA-N 1 0 235.331 1.516 10 0 BDAERO CCc1cn2c(n1)[C@@H]([C@@H]1CCOC1)[NH2+]CCC2 ZINC000675069858 538499307 /nfs/dbraw/zinc/49/93/07/538499307.db2.gz YSFAQFUNAFMODG-ZYHUDNBSSA-N 1 0 235.331 1.516 10 0 BDAERO CC(C)(C)NC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675070152 538499667 /nfs/dbraw/zinc/49/96/67/538499667.db2.gz MJONRXBJCNWFBB-VPOLOUISSA-N 1 0 239.363 1.458 10 0 BDAERO CCC[C@@H](C)C(=O)N(C1C[NH2+]C1)[C@@H]1CCOC1 ZINC000675071016 538502087 /nfs/dbraw/zinc/50/20/87/538502087.db2.gz VOYMHCSQSYNDNS-GHMZBOCLSA-N 1 0 240.347 1.012 10 0 BDAERO COCC(=O)NCCCC1([NH3+])CCCCC1 ZINC000675072645 538503441 /nfs/dbraw/zinc/50/34/41/538503441.db2.gz BPMNKNUMDCZYHN-UHFFFAOYSA-N 1 0 228.336 1.191 10 0 BDAERO COC(=O)[C@H](C[NH3+])[C@H]1CCCC(C)(C)C1 ZINC000675073056 538504212 /nfs/dbraw/zinc/50/42/12/538504212.db2.gz KIDQXXVVZOQOOY-VHSXEESVSA-N 1 0 213.321 1.951 10 0 BDAERO OC[C@@H]1[NH2+]CCOc2c(F)cc(Cl)cc21 ZINC000675073486 538506141 /nfs/dbraw/zinc/50/61/41/538506141.db2.gz JTCVCFQQRJTNBT-VIFPVBQESA-N 1 0 231.654 1.495 10 0 BDAERO Cc1cc(N2CC[NH2+]C[C@H]2C)c(C)cc1C=O ZINC000675075207 538508373 /nfs/dbraw/zinc/50/83/73/538508373.db2.gz IBEBVJHXNZTMAX-GFCCVEGCSA-N 1 0 232.327 1.914 10 0 BDAERO Clc1ncc(-c2cnn3c2C[NH2+]CC3)s1 ZINC000675075568 538509466 /nfs/dbraw/zinc/50/94/66/538509466.db2.gz BBCWZSCNKKXAJY-UHFFFAOYSA-N 1 0 240.719 1.763 10 0 BDAERO COc1nsc(C2=C[C@@H](O)C[NH2+]C2)c1Cl ZINC000675077678 538513322 /nfs/dbraw/zinc/51/33/22/538513322.db2.gz QBUNVNDNSSHBFG-ZCFIWIBFSA-N 1 0 246.719 1.153 10 0 BDAERO Cc1ccc(F)cc1C1=C[C@@H](N)C[NH2+]C1 ZINC000675077810 538514254 /nfs/dbraw/zinc/51/42/54/538514254.db2.gz IYQRESUUJNJHTG-LLVKDONJSA-N 1 0 206.264 1.448 10 0 BDAERO Cc1cc(C2=C[C@@H](O)C[NH2+]C2)cnc1C ZINC000675078595 538516291 /nfs/dbraw/zinc/51/62/91/538516291.db2.gz ZIMCARBZIVQQIR-GFCCVEGCSA-N 1 0 204.273 1.046 10 0 BDAERO N[C@H]1C=C(Cc2ccccc2F)C[NH2+]C1 ZINC000675077271 538512831 /nfs/dbraw/zinc/51/28/31/538512831.db2.gz BSPSKINRGDAPOA-NSHDSACASA-N 1 0 206.264 1.225 10 0 BDAERO CCCn1nccc1[C@@H](O)C[NH2+]C(C)C ZINC000084993427 538536340 /nfs/dbraw/zinc/53/63/40/538536340.db2.gz WTOSUGSBNFKQJE-NSHDSACASA-N 1 0 211.309 1.325 10 0 BDAERO CC1(C)OC(C)(C)[C@H]([C@@H]2CCC[NH2+]2)C1=O ZINC000086927039 538561709 /nfs/dbraw/zinc/56/17/09/538561709.db2.gz UOELZXYIJPEPBI-DTWKUNHWSA-N 1 0 211.305 1.511 10 0 BDAERO CC1(C)OC(C)(C)[C@H]([C@H]2CCC[NH2+]2)C1=O ZINC000086927042 538562195 /nfs/dbraw/zinc/56/21/95/538562195.db2.gz UOELZXYIJPEPBI-RKDXNWHRSA-N 1 0 211.305 1.511 10 0 BDAERO Cc1cc(C)c(S(=O)(=O)N(C)C)cc1C[NH3+] ZINC000084156303 538526984 /nfs/dbraw/zinc/52/69/84/538526984.db2.gz YMFJXLPNWHGVBQ-UHFFFAOYSA-N 1 0 242.344 1.012 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)C1CCC1 ZINC000129787914 538576130 /nfs/dbraw/zinc/57/61/30/538576130.db2.gz QBLVVGDPQAGBQN-MWLCHTKSSA-N 1 0 210.321 1.148 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)NC(C)(C)C ZINC000129811194 538579471 /nfs/dbraw/zinc/57/94/71/538579471.db2.gz ZIHUJLSXYHEGTN-NXEZZACHSA-N 1 0 227.352 1.330 10 0 BDAERO COC(OC)C(=O)C[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000130354107 538588670 /nfs/dbraw/zinc/58/86/70/538588670.db2.gz CEPMPPORWVJIEM-RKDXNWHRSA-N 1 0 215.293 1.095 10 0 BDAERO C[C@@H]1CC[NH2+][C@H](CC(=O)[C@@H]2CCOC2)C1 ZINC000130383128 538590560 /nfs/dbraw/zinc/59/05/60/538590560.db2.gz LYYBIFIOFMSMBR-MXWKQRLJSA-N 1 0 211.305 1.370 10 0 BDAERO CC(C)(C[NH3+])[C@H](O)c1ncc(Cl)s1 ZINC000223312358 538594948 /nfs/dbraw/zinc/59/49/48/538594948.db2.gz LFLRSCUSTBWAMJ-ZCFIWIBFSA-N 1 0 220.725 1.815 10 0 BDAERO CCN1CCO[C@@H]([C@@H]([NH3+])C(C)(C)C)C1 ZINC000226096555 356736240 /nfs/dbraw/zinc/73/62/40/356736240.db2.gz DEJFEZHQKTWWFF-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO COc1ccccc1C[NH2+][C@@H](C(N)=O)C(C)C ZINC000223962041 538597940 /nfs/dbraw/zinc/59/79/40/538597940.db2.gz LPFOMWZRCMZCHT-GFCCVEGCSA-N 1 0 236.315 1.295 10 0 BDAERO NC(=[NH2+])Cc1cc(Cl)cc2c1OCC2 ZINC000160453545 356981866 /nfs/dbraw/zinc/98/18/66/356981866.db2.gz KDSDQZXJPAQGCG-UHFFFAOYSA-N 1 0 210.664 1.753 10 0 BDAERO CC[C@H](C)[C@@H]1C[S@@](=O)C[C@@H](C)C[NH2+]1 ZINC000226418840 356982211 /nfs/dbraw/zinc/98/22/11/356982211.db2.gz SFNRVRMUYCPANI-YVNDNENWSA-N 1 0 203.351 1.389 10 0 BDAERO CCOc1cc(N[C@H]2C[NH2+]CC[C@H]2C)ncn1 ZINC000389729875 357021775 /nfs/dbraw/zinc/02/17/75/357021775.db2.gz OOJWETBTMVFEJM-ZJUUUORDSA-N 1 0 236.319 1.285 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncc(F)cn1 ZINC000389742722 357023617 /nfs/dbraw/zinc/02/36/17/357023617.db2.gz CJKWAGKXUFFLPJ-VXNVDRBHSA-N 1 0 210.256 1.026 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncc(Cl)cn1 ZINC000389740544 357023719 /nfs/dbraw/zinc/02/37/19/357023719.db2.gz YVXWFDIKZAAHJR-APPZFPTMSA-N 1 0 226.711 1.540 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccnc2cccnc21 ZINC000389749380 357024735 /nfs/dbraw/zinc/02/47/35/357024735.db2.gz JGLFTJRSINWMFT-ZWNOBZJWSA-N 1 0 242.326 1.462 10 0 BDAERO [NH3+]CC[C@@H](O)c1cccc(F)c1Br ZINC000156243161 538775028 /nfs/dbraw/zinc/77/50/28/538775028.db2.gz BRLHUOPGHSTHAN-MRVPVSSYSA-N 1 0 248.095 1.970 10 0 BDAERO CCCCNC(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000389808902 357040385 /nfs/dbraw/zinc/04/03/85/357040385.db2.gz KNWGFOCOKDRIGI-JTQLQIEISA-N 1 0 213.325 1.180 10 0 BDAERO C[C@@H](C(=O)c1ccncc1F)C1C[NH2+]C1 ZINC000129921176 357044355 /nfs/dbraw/zinc/04/43/55/357044355.db2.gz AUZCCQZECQYAOU-SSDOTTSWSA-N 1 0 208.236 1.259 10 0 BDAERO Cc1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)ncn1 ZINC000389716789 357018781 /nfs/dbraw/zinc/01/87/81/357018781.db2.gz AMDWENGWMDALJE-WCBMZHEXSA-N 1 0 206.293 1.195 10 0 BDAERO Cc1cnc(N[C@@H]2C[NH2+]CC[C@H]2C)nc1 ZINC000389722840 357019979 /nfs/dbraw/zinc/01/99/79/357019979.db2.gz IGRXPBMLAHCWRD-NXEZZACHSA-N 1 0 206.293 1.195 10 0 BDAERO Cc1cnc(N[C@@H]2C[NH2+]CC[C@@H]2C)nc1 ZINC000389722843 357020087 /nfs/dbraw/zinc/02/00/87/357020087.db2.gz IGRXPBMLAHCWRD-VHSXEESVSA-N 1 0 206.293 1.195 10 0 BDAERO C[C@@H](CN[C@@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000389925274 357068534 /nfs/dbraw/zinc/06/85/34/357068534.db2.gz VQJLQXDJIMSPJY-DZGCQCFKSA-N 1 0 248.370 1.791 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccoc1 ZINC000390450721 357093801 /nfs/dbraw/zinc/09/38/01/357093801.db2.gz ZKZKFZXFCBEFKY-NGZCFLSTSA-N 1 0 222.288 1.597 10 0 BDAERO [NH3+]CCc1nc2c(s1)CC(F)(F)CC2 ZINC000258525631 538788161 /nfs/dbraw/zinc/78/81/61/538788161.db2.gz PPQPTANTGSZXHA-UHFFFAOYSA-N 1 0 218.272 1.768 10 0 BDAERO Cc1nsc(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000160620940 357133326 /nfs/dbraw/zinc/13/33/26/357133326.db2.gz SXYKMHYGFIHDJD-HTRCEHHLSA-N 1 0 212.322 1.020 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@H]2OCCC[C@@H]2C1 ZINC000193463887 357118246 /nfs/dbraw/zinc/11/82/46/357118246.db2.gz KDMIPZFMDVLLRD-CHWSQXEVSA-N 1 0 226.364 1.485 10 0 BDAERO Cc1cncc(C(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000168739138 357202455 /nfs/dbraw/zinc/20/24/55/357202455.db2.gz OGKZARSXLDKJMD-LLVKDONJSA-N 1 0 204.273 1.715 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]1)c1cncc(F)c1 ZINC000168747663 357211570 /nfs/dbraw/zinc/21/15/70/357211570.db2.gz JNWVDQVGYOMXGL-JTQLQIEISA-N 1 0 208.236 1.546 10 0 BDAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1c(Br)nnn1C ZINC000300053465 357180647 /nfs/dbraw/zinc/18/06/47/357180647.db2.gz RFKXVWORWCIXKJ-SRQIZXRXSA-N 1 0 245.124 1.233 10 0 BDAERO O[C@]1(Cc2cncs2)CCC[NH2+]CC1 ZINC000160706004 357184201 /nfs/dbraw/zinc/18/42/01/357184201.db2.gz FJABHPBCABRDNX-SNVBAGLBSA-N 1 0 212.318 1.190 10 0 BDAERO C[S@](=O)C1(C[NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC000393701334 357293477 /nfs/dbraw/zinc/29/34/77/357293477.db2.gz CGMKPRIGZHKARQ-HWPZZCPQSA-N 1 0 247.404 1.284 10 0 BDAERO [NH3+]C[C@@H]1C[C@H]1c1ccc(Br)cn1 ZINC000130093635 357279508 /nfs/dbraw/zinc/27/95/08/357279508.db2.gz HDPCXOWVRSQUIP-POYBYMJQSA-N 1 0 227.105 1.906 10 0 BDAERO [NH3+][C@H]1c2c(cc(Cl)cc2Cl)C[C@@H]1O ZINC000039941448 491110714 /nfs/dbraw/zinc/11/07/14/491110714.db2.gz IJHKJZKBSPGVQB-IONNQARKSA-N 1 0 218.083 1.910 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccc(C)nc2)C1 ZINC000157844123 538842958 /nfs/dbraw/zinc/84/29/58/538842958.db2.gz WWAMNKXIHOQSPX-AWEZNQCLSA-N 1 0 233.359 1.964 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCC1(O)CCC1 ZINC000396884733 357486803 /nfs/dbraw/zinc/48/68/03/357486803.db2.gz UROSKPQMCUSAKY-JTQLQIEISA-N 1 0 215.337 1.288 10 0 BDAERO CCCNC(=O)C[NH2+]CC1CCC(C)CC1 ZINC000063145485 357534476 /nfs/dbraw/zinc/53/44/76/357534476.db2.gz XGVKJRZEPGKXNJ-UHFFFAOYSA-N 1 0 226.364 1.929 10 0 BDAERO CCn1cncc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000231294106 357599893 /nfs/dbraw/zinc/59/98/93/357599893.db2.gz RQTPSWFOHDKXEL-WCQYABFASA-N 1 0 237.347 1.544 10 0 BDAERO C(C[N@@H+]1CCCN(C2CC2)CC1)[C@@H]1CCCO1 ZINC000188953435 357605494 /nfs/dbraw/zinc/60/54/94/357605494.db2.gz XVTVDLGAPHMBOU-AWEZNQCLSA-N 1 0 238.375 1.726 10 0 BDAERO Cc1csc([C@H](O)C(C)(C)C[NH3+])n1 ZINC000159700821 538878801 /nfs/dbraw/zinc/87/88/01/538878801.db2.gz ZIOUGBPCIPUSOJ-ZETCQYMHSA-N 1 0 200.307 1.470 10 0 BDAERO Cc1noc(C)c1CN1CCCNC(=O)[C@H]1C ZINC000189106742 357614993 /nfs/dbraw/zinc/61/49/93/357614993.db2.gz ZDBGCGQOBWYQOI-SECBINFHSA-N 1 0 237.303 1.002 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC000189431314 357641619 /nfs/dbraw/zinc/64/16/19/357641619.db2.gz ICTJFKGTIJPFBV-CYBMUJFWSA-N 1 0 249.358 1.664 10 0 BDAERO CC1(C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000685946782 538886252 /nfs/dbraw/zinc/88/62/52/538886252.db2.gz NIBDCMSLKHOXSR-BXKDBHETSA-N 1 0 208.305 1.126 10 0 BDAERO CCOc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000685946686 538887079 /nfs/dbraw/zinc/88/70/79/538887079.db2.gz USPLMUHGKRSOAU-CHWSQXEVSA-N 1 0 220.316 1.490 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CC[NH2+]2 ZINC000685945607 538887097 /nfs/dbraw/zinc/88/70/97/538887097.db2.gz FAYATNZNPIOEGX-CABZTGNLSA-N 1 0 226.320 1.653 10 0 BDAERO CC(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000685945916 538887625 /nfs/dbraw/zinc/88/76/25/538887625.db2.gz FYSBOZYLJVISDC-YUMQZZPRSA-N 1 0 224.226 1.135 10 0 BDAERO CCCNC(=O)N1CCC[C@@]([NH3+])(CC)C1 ZINC000685946902 538888228 /nfs/dbraw/zinc/88/82/28/538888228.db2.gz FZQWQEJDHUOJPW-NSHDSACASA-N 1 0 213.325 1.309 10 0 BDAERO CC[C@]1([NH3+])CCCN(C(=O)CC(C)C)C1 ZINC000685947218 538888691 /nfs/dbraw/zinc/88/86/91/538888691.db2.gz KAUXYHPYQLWKGF-LBPRGKRZSA-N 1 0 212.337 1.762 10 0 BDAERO CCC[C@H](C)C(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685946972 538888788 /nfs/dbraw/zinc/88/87/88/538888788.db2.gz HLCKHICFTHUQAF-NSHDSACASA-N 1 0 224.348 1.635 10 0 BDAERO CCNC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000685947090 538888964 /nfs/dbraw/zinc/88/89/64/538888964.db2.gz QXAWSZZRMLCATJ-SNVBAGLBSA-N 1 0 225.336 1.228 10 0 BDAERO CC(C)CNC(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000685947277 538889252 /nfs/dbraw/zinc/88/92/52/538889252.db2.gz LJTOCOWERABROQ-NSHDSACASA-N 1 0 227.352 1.331 10 0 BDAERO CC(C)CNC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685947898 538889869 /nfs/dbraw/zinc/88/98/69/538889869.db2.gz TUTJEWAOXHUEDR-UHFFFAOYSA-N 1 0 225.336 1.037 10 0 BDAERO CC1([NH3+])CCC(NC(=O)CC2CC2)CC1 ZINC000685947762 538889875 /nfs/dbraw/zinc/88/98/75/538889875.db2.gz PKVFBGGAQYSTHH-UHFFFAOYSA-N 1 0 210.321 1.563 10 0 BDAERO CC[C@]1([NH3+])CCCN(C(=O)C2(C)CC2)C1 ZINC000685948163 538890042 /nfs/dbraw/zinc/89/00/42/538890042.db2.gz YWPQXBVLVOCXTD-LBPRGKRZSA-N 1 0 210.321 1.516 10 0 BDAERO CC1CC[NH+]([C@H]2CCNC[C@H]2F)CC1 ZINC000685948238 538890303 /nfs/dbraw/zinc/89/03/03/538890303.db2.gz CPSHMAPKZNDMOQ-MNOVXSKESA-N 1 0 200.301 1.418 10 0 BDAERO CC(C)(C)C(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685948861 538891591 /nfs/dbraw/zinc/89/15/91/538891591.db2.gz HJWAKQMEEHHGDM-ZWNOBZJWSA-N 1 0 224.348 1.823 10 0 BDAERO CC[C@@H]1CN(C2[C@@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951177 538894443 /nfs/dbraw/zinc/89/44/43/538894443.db2.gz OUYJTOLOOPBFPT-SDDRHHMPSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1CN(C2[C@@H](C)C[NH2+]C[C@@H]2C)C[C@H](C)O1 ZINC000685950961 538894761 /nfs/dbraw/zinc/89/47/61/538894761.db2.gz JRXAFXCGPCZSIK-FIQHERPVSA-N 1 0 226.364 1.340 10 0 BDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)OC ZINC000190275943 357698630 /nfs/dbraw/zinc/69/86/30/357698630.db2.gz DDNGZPVWHFYSRM-WDEREUQCSA-N 1 0 245.367 1.051 10 0 BDAERO COC(=O)CC[NH2+][C@H](C)c1cncc(F)c1 ZINC000234507990 357819876 /nfs/dbraw/zinc/81/98/76/357819876.db2.gz GYASRLDYNXFDLD-MRVPVSSYSA-N 1 0 226.251 1.434 10 0 BDAERO C[C@H](CC1CC1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013436 134221267 /nfs/dbraw/zinc/22/12/67/134221267.db2.gz JKWMCWAVFBAIFX-MIMYLULJSA-N 1 0 210.321 1.419 10 0 BDAERO CCn1cncc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000085183065 134225217 /nfs/dbraw/zinc/22/52/17/134225217.db2.gz RHKLWKZOOVGHCS-JQWIXIFHSA-N 1 0 223.320 1.560 10 0 BDAERO CC[C@@H](Nc1ccc2c(c1)C[N@@H+](C)C2)C(=O)OC ZINC000192839027 357856750 /nfs/dbraw/zinc/85/67/50/357856750.db2.gz KNRSCARRRZKLIN-CYBMUJFWSA-N 1 0 248.326 1.996 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000192318552 357829542 /nfs/dbraw/zinc/82/95/42/357829542.db2.gz IAQNETOSHODEGP-CYBMUJFWSA-N 1 0 248.374 1.945 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000639940296 357951344 /nfs/dbraw/zinc/95/13/44/357951344.db2.gz VYYGIJIFEWIBHJ-JHJVBQTASA-N 1 0 226.364 1.316 10 0 BDAERO C[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CC1(Cl)Cl ZINC000237749645 358006847 /nfs/dbraw/zinc/00/68/47/358006847.db2.gz BRQQJLPQZZFWPQ-POYBYMJQSA-N 1 0 237.130 1.130 10 0 BDAERO Cc1csc(N2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000169024811 358013065 /nfs/dbraw/zinc/01/30/65/358013065.db2.gz ZDMNIHYTGXNWAR-DTWKUNHWSA-N 1 0 211.334 1.768 10 0 BDAERO CC[C@]1(O)CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000640036912 358137403 /nfs/dbraw/zinc/13/74/03/358137403.db2.gz 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BDAERO C[C@H]1C[NH+](CC(C)(C)CO)C[C@H](C)S1 ZINC000069909295 361015414 /nfs/dbraw/zinc/01/54/14/361015414.db2.gz RCRGZKLNPDGHJN-UWVGGRQHSA-N 1 0 217.378 1.831 10 0 BDAERO C[NH+](C)CCn1c2ccccc2nc1NCCO ZINC000006871440 361060693 /nfs/dbraw/zinc/06/06/93/361060693.db2.gz DJZTZZJUUKXELU-UHFFFAOYSA-N 1 0 248.330 1.002 10 0 BDAERO O[C@@H](c1sccc1Br)C1C[NH2+]C1 ZINC000306615101 361164526 /nfs/dbraw/zinc/16/45/26/361164526.db2.gz MTDDACBRMVCGDW-SSDOTTSWSA-N 1 0 248.145 1.763 10 0 BDAERO CS[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000424620798 200944510 /nfs/dbraw/zinc/94/45/10/200944510.db2.gz ORJYKFANGJRMKG-BBBLOLIVSA-N 1 0 217.378 1.877 10 0 BDAERO C[C@H](CCCCO)[NH2+][C@@H](C)c1ncnn1C ZINC000309750997 491155609 /nfs/dbraw/zinc/15/56/09/491155609.db2.gz KNSPLGVAABUBLR-ZJUUUORDSA-N 1 0 226.324 1.017 10 0 BDAERO C[C@H]1OCCN(C(=[NH2+])NCc2ccccc2)[C@@H]1C ZINC000306623382 361268891 /nfs/dbraw/zinc/26/88/91/361268891.db2.gz BLLQJPBLOYDJBN-VXGBXAGGSA-N 1 0 247.342 1.820 10 0 BDAERO [NH3+]C1(C(=O)N[C@@H]2CCCC[C@@H]2O)CCCCC1 ZINC000052009645 181327083 /nfs/dbraw/zinc/32/70/83/181327083.db2.gz HFHKYMABDHGWGD-MNOVXSKESA-N 1 0 240.347 1.068 10 0 BDAERO CC(C)[C@H](Cn1cccn1)[NH2+]CC1CC(O)C1 ZINC000379713702 361347853 /nfs/dbraw/zinc/34/78/53/361347853.db2.gz HDGHEQDGVWRGGV-BPCQOVAHSA-N 1 0 237.347 1.268 10 0 BDAERO [NH3+]C[C@@H](F)Cc1ccc(Br)o1 ZINC000306634682 361371864 /nfs/dbraw/zinc/37/18/64/361371864.db2.gz WRYNVQNTDUUFFT-YFKPBYRVSA-N 1 0 222.057 1.881 10 0 BDAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2C[C@H]2CO)o1 ZINC000309813855 491157212 /nfs/dbraw/zinc/15/72/12/491157212.db2.gz UXBHIKNFZRWTPQ-LLHIFLOGSA-N 1 0 221.300 1.873 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000379723340 361360333 /nfs/dbraw/zinc/36/03/33/361360333.db2.gz NHWIOYURZJFRKO-FRRDWIJNSA-N 1 0 240.391 1.610 10 0 BDAERO [NH3+]C1(C(=O)c2ccc3c(c2)OCCO3)CCCC1 ZINC000011630612 181330270 /nfs/dbraw/zinc/33/02/70/181330270.db2.gz CYDGBSMQNLTMOZ-UHFFFAOYSA-N 1 0 247.294 1.912 10 0 BDAERO COc1cccc([C@H](CO)[NH2+]CCCF)c1 ZINC000309897353 491157902 /nfs/dbraw/zinc/15/79/02/491157902.db2.gz GKPKVMQPNXGJEB-LBPRGKRZSA-N 1 0 227.279 1.678 10 0 BDAERO [NH3+]C1(c2nc(C(F)F)cc(=O)[nH]2)CCCC1 ZINC000070953207 181334903 /nfs/dbraw/zinc/33/49/03/181334903.db2.gz HZUZYOWZQZJHFC-UHFFFAOYSA-N 1 0 229.230 1.436 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000432729963 201162986 /nfs/dbraw/zinc/16/29/86/201162986.db2.gz JADLHLGLFHCUOF-UPJWGTAASA-N 1 0 227.348 1.648 10 0 BDAERO CCN(CC[NH3+])Cc1nccn1C(C)C ZINC000629558291 361452953 /nfs/dbraw/zinc/45/29/53/361452953.db2.gz WCGWFQLCPURWIJ-UHFFFAOYSA-N 1 0 210.325 1.245 10 0 BDAERO CO[C@H]1C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000629616737 361511071 /nfs/dbraw/zinc/51/10/71/361511071.db2.gz KHQOOHWKCBBXBF-OUAUKWLOSA-N 1 0 215.337 1.408 10 0 BDAERO CN1CC[C@@H]([NH2+]Cc2ccsc2)C1=O ZINC000070583422 361571257 /nfs/dbraw/zinc/57/12/57/361571257.db2.gz URNKFVFPCWMGGC-SECBINFHSA-N 1 0 210.302 1.068 10 0 BDAERO C[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007683 361592247 /nfs/dbraw/zinc/59/22/47/361592247.db2.gz NDZBETUWQBQJPJ-BQBZGAKWSA-N 1 0 228.242 1.489 10 0 BDAERO [NH3+]C1CCC(C(=O)NCCc2ccncc2)CC1 ZINC000048262287 181340275 /nfs/dbraw/zinc/34/02/75/181340275.db2.gz UNFBJJRIGLITDE-UHFFFAOYSA-N 1 0 247.342 1.258 10 0 BDAERO CC(C)OCCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000448549014 201216538 /nfs/dbraw/zinc/21/65/38/201216538.db2.gz ANZWCGKNVJJJPD-NEPJUHHUSA-N 1 0 215.337 1.647 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N(C)Cc1ccsc1 ZINC000036873274 361573615 /nfs/dbraw/zinc/57/36/15/361573615.db2.gz NMJMTEHCCZIDJS-JTQLQIEISA-N 1 0 226.345 1.834 10 0 BDAERO [NH3+][C@H](CO)c1ccccc1OC(F)F ZINC000036949514 361580561 /nfs/dbraw/zinc/58/05/61/361580561.db2.gz KNLKUOWICIJMHD-SSDOTTSWSA-N 1 0 203.188 1.280 10 0 BDAERO [NH3+]C1CC(NC(=O)c2ccc(Cl)s2)C1 ZINC000051172548 181339944 /nfs/dbraw/zinc/33/99/44/181339944.db2.gz KAZBQYVCEYNCPM-UHFFFAOYSA-N 1 0 230.720 1.621 10 0 BDAERO Clc1ccc(SC2C[NH2+]C2)nc1 ZINC000070615562 361626420 /nfs/dbraw/zinc/62/64/20/361626420.db2.gz VJGSFEVPXPPGML-UHFFFAOYSA-N 1 0 200.694 1.799 10 0 BDAERO [NH3+]C1CC(NC(=O)Nc2ccccc2)C1 ZINC000036263531 181340372 /nfs/dbraw/zinc/34/03/72/181340372.db2.gz GUCKYWWUBXQUSL-UHFFFAOYSA-N 1 0 205.261 1.298 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2ccc(C=O)s2)C1 ZINC000070609436 361613799 /nfs/dbraw/zinc/61/37/99/361613799.db2.gz QKZUSZYAABPYKI-VIFPVBQESA-N 1 0 224.329 1.701 10 0 BDAERO [NH3+]C1CCC(C(=O)NCCc2ccco2)CC1 ZINC000037626214 181340689 /nfs/dbraw/zinc/34/06/89/181340689.db2.gz RDMTVDMTQMSDKG-UHFFFAOYSA-N 1 0 236.315 1.456 10 0 BDAERO [NH3+]C1CCC(OC[C@H]2CCCCO2)CC1 ZINC000055142795 181342411 /nfs/dbraw/zinc/34/24/11/181342411.db2.gz HZOSGMNQKMIPLM-HTAVTVPLSA-N 1 0 213.321 1.842 10 0 BDAERO [NH3+]C1CCC(OCc2ncccn2)CC1 ZINC000055143222 181342445 /nfs/dbraw/zinc/34/24/45/181342445.db2.gz DTEIVADETLJDTN-UHFFFAOYSA-N 1 0 207.277 1.263 10 0 BDAERO CC1(C)CC[C@@H]2[NH2+]CC[S@](=O)[C@@H]2C1 ZINC000070627452 361679582 /nfs/dbraw/zinc/67/95/82/361679582.db2.gz UIQDDOKMFIOCMB-IGJMFERPSA-N 1 0 201.335 1.286 10 0 BDAERO Cc1ccn([C@@H]([C@@H](C)[NH3+])C(F)(F)F)n1 ZINC000070629250 361682786 /nfs/dbraw/zinc/68/27/86/361682786.db2.gz FGDZXDGAHXRYNF-RQJHMYQMSA-N 1 0 207.199 1.642 10 0 BDAERO Cc1ccn([C@@H](C[NH3+])c2cccs2)n1 ZINC000070629240 361683043 /nfs/dbraw/zinc/68/30/43/361683043.db2.gz RFWQCMGIXZHNST-VIFPVBQESA-N 1 0 207.302 1.801 10 0 BDAERO C[C@@H]1CC[C@@]([NH2+]C2CCCC2)(C(N)=O)C1 ZINC000070644720 361693328 /nfs/dbraw/zinc/69/33/28/361693328.db2.gz IWAHXFQAAMPZOR-SKDRFNHKSA-N 1 0 210.321 1.563 10 0 BDAERO c1ccc(SC[C@H]2C[NH2+]CCO2)nc1 ZINC000070649804 361695591 /nfs/dbraw/zinc/69/55/91/361695591.db2.gz OSDYYWBYRZVXMQ-SECBINFHSA-N 1 0 210.302 1.162 10 0 BDAERO [NH3+]C1CN(C(=O)c2cccc3ccccc32)C1 ZINC000104309823 181345387 /nfs/dbraw/zinc/34/53/87/181345387.db2.gz BUIBQVVLEJGGFV-UHFFFAOYSA-N 1 0 226.279 1.623 10 0 BDAERO [NH3+]CC(=O)Cc1ccc(Cl)c(F)c1 ZINC000082381934 181347719 /nfs/dbraw/zinc/34/77/19/181347719.db2.gz INIAXAQVUYQLCK-UHFFFAOYSA-N 1 0 201.628 1.549 10 0 BDAERO CSC1([C@@H](O)C(C)(C)C[NH3+])CCC1 ZINC000308201603 541320362 /nfs/dbraw/zinc/32/03/62/541320362.db2.gz VPAGQRMDLCYWOJ-QMMMGPOBSA-N 1 0 203.351 1.618 10 0 BDAERO CSC1([C@H](O)C2(C[NH3+])CC2)CCC1 ZINC000308207312 541320414 /nfs/dbraw/zinc/32/04/14/541320414.db2.gz ZXCDPUUOJDTDGJ-MRVPVSSYSA-N 1 0 201.335 1.372 10 0 BDAERO [NH3+]CC(=O)NCc1ccc(-c2ccccc2)cc1 ZINC000082613653 181353491 /nfs/dbraw/zinc/35/34/91/181353491.db2.gz ACPGHGNFFXJXDD-UHFFFAOYSA-N 1 0 240.306 1.929 10 0 BDAERO [NH3+]CC(=O)NCc1cc(F)ccc1Cl ZINC000083348771 181353662 /nfs/dbraw/zinc/35/36/62/181353662.db2.gz XYLXESYDVNGCII-UHFFFAOYSA-N 1 0 216.643 1.054 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])CNC(=O)NC1CCCCC1 ZINC000725255173 541332331 /nfs/dbraw/zinc/33/23/31/541332331.db2.gz VEZQELUJKSOYTI-PWSUYJOCSA-N 1 0 241.379 1.992 10 0 BDAERO CCC[C@H](C)C(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630360243 364080648 /nfs/dbraw/zinc/08/06/48/364080648.db2.gz GDTNTFLPHCBPOJ-GVXVVHGQSA-N 1 0 242.363 1.387 10 0 BDAERO CCCCN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037481728 364063828 /nfs/dbraw/zinc/06/38/28/364063828.db2.gz FVTQJHUKWWTOSA-UHFFFAOYSA-N 1 0 212.337 1.762 10 0 BDAERO CO[C@@H]1CN(C(=O)[C@H](C)C(C)C)[C@@](C)(C[NH3+])C1 ZINC000630371399 364087116 /nfs/dbraw/zinc/08/71/16/364087116.db2.gz RXRTZOWSRAPDJI-NTZNESFSSA-N 1 0 242.363 1.243 10 0 BDAERO CO[C@@H]1CN(C(=O)[C@@H](C)C(C)C)[C@](C)(C[NH3+])C1 ZINC000630371397 364088263 /nfs/dbraw/zinc/08/82/63/364088263.db2.gz RXRTZOWSRAPDJI-GVXVVHGQSA-N 1 0 242.363 1.243 10 0 BDAERO Clc1cncc(C[C@H]2CCC[NH2+]C2)n1 ZINC000725262115 541335250 /nfs/dbraw/zinc/33/52/50/541335250.db2.gz XDVJWSNIHIYJSR-MRVPVSSYSA-N 1 0 211.696 1.672 10 0 BDAERO CC[C@H](NC1CCC(C)(C[NH3+])CC1)C(=O)OC ZINC000725262669 541335893 /nfs/dbraw/zinc/33/58/93/541335893.db2.gz APLNCWBSIHIODF-AKJDGMEZSA-N 1 0 242.363 1.435 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCCCC[C@H]1C[NH3+] ZINC000725269797 541339109 /nfs/dbraw/zinc/33/91/09/541339109.db2.gz QMGMEGQVMGGWNP-RYUDHWBXSA-N 1 0 241.379 1.944 10 0 BDAERO CC[C@H](C)C[NH2+]C[C@@H](O)[C@@H]1COC(C)(C)O1 ZINC000725269800 541339180 /nfs/dbraw/zinc/33/91/80/541339180.db2.gz ZDGIOCKKAXHWFE-AXFHLTTASA-N 1 0 231.336 1.135 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC([C@H](C)[NH3+])C1 ZINC000725271270 541339899 /nfs/dbraw/zinc/33/98/99/541339899.db2.gz BBTDUHDOUUATLY-IUCAKERBSA-N 1 0 213.325 1.020 10 0 BDAERO CCCOc1nccnc1NC[C@@H](C)[NH2+]CC ZINC000630513868 364199106 /nfs/dbraw/zinc/19/91/06/364199106.db2.gz UMLNSLFWVYSYPK-SNVBAGLBSA-N 1 0 238.335 1.097 10 0 BDAERO CCCOc1nccnc1N1CC2CC1(C[NH3+])C2 ZINC000630516555 364200658 /nfs/dbraw/zinc/20/06/58/364200658.db2.gz IMHXHAPLZLTOPL-UHFFFAOYSA-N 1 0 248.330 1.193 10 0 BDAERO CCc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)nc(C)n1 ZINC000630532334 364221534 /nfs/dbraw/zinc/22/15/34/364221534.db2.gz HXLWSIPHPVBEKC-BXKDBHETSA-N 1 0 234.347 1.900 10 0 BDAERO C[C@H]1CN(c2ccc3nccnc3n2)C[C@H]1C[NH3+] ZINC000630576697 364274774 /nfs/dbraw/zinc/27/47/74/364274774.db2.gz YZYUIBJZPSBZGK-VHSXEESVSA-N 1 0 243.314 1.056 10 0 BDAERO CCC[C@H](CCO)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000631671059 364240445 /nfs/dbraw/zinc/24/04/45/364240445.db2.gz XMNPQIGPTPRWJO-YVECIDJPSA-N 1 0 241.375 1.941 10 0 BDAERO [NH3+][C@@H]1CCCCCN(c2ncccc2F)C1 ZINC000630548475 364244992 /nfs/dbraw/zinc/24/49/92/364244992.db2.gz CGDHYJZUTUHLSV-SNVBAGLBSA-N 1 0 223.295 1.928 10 0 BDAERO CC(C)c1nsc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630553093 364248077 /nfs/dbraw/zinc/24/80/77/364248077.db2.gz IDTQRLMHLGAWDZ-DTWKUNHWSA-N 1 0 240.376 1.693 10 0 BDAERO [NH3+]CC1(C(=O)NCCc2ccco2)CCCC1 ZINC000044763624 181359559 /nfs/dbraw/zinc/35/95/59/181359559.db2.gz NSYNVKVJZJCMSR-UHFFFAOYSA-N 1 0 236.315 1.457 10 0 BDAERO Cc1cnc(C)c(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630571776 364267463 /nfs/dbraw/zinc/26/74/63/364267463.db2.gz PTPKZQIWMRFNRC-GZMMTYOYSA-N 1 0 220.320 1.124 10 0 BDAERO Cc1cc(C(F)(F)F)cc(N2CC[NH2+]CC2)n1 ZINC000140142540 364271343 /nfs/dbraw/zinc/27/13/43/364271343.db2.gz SLXPGPUBKIUESN-UHFFFAOYSA-N 1 0 245.248 1.818 10 0 BDAERO C[C@@H]1CC[C@H](Nc2ncnc3[nH]ccc32)C[NH2+]1 ZINC000630533748 364226428 /nfs/dbraw/zinc/22/64/28/364226428.db2.gz QRZXLCPZJWWANB-BDAKNGLRSA-N 1 0 231.303 1.510 10 0 BDAERO [NH3+]CC1(c2nc([C@@H]3CCOC3)no2)CCCC1 ZINC000124986636 181363832 /nfs/dbraw/zinc/36/38/32/181363832.db2.gz QERGDEVAPTUAAO-SECBINFHSA-N 1 0 237.303 1.344 10 0 BDAERO Cc1nc(C)c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000311700391 541362033 /nfs/dbraw/zinc/36/20/33/541362033.db2.gz RRRQGFXESFCQMD-MFKMUULPSA-N 1 0 249.358 1.960 10 0 BDAERO CCCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170855944 364531061 /nfs/dbraw/zinc/53/10/61/364531061.db2.gz MIYHRMGIYOOTIM-LLVKDONJSA-N 1 0 212.337 1.729 10 0 BDAERO CC(C)(C)OC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247165594 364620127 /nfs/dbraw/zinc/62/01/27/364620127.db2.gz MQBPOQLGJDPRAL-NSHDSACASA-N 1 0 240.347 1.108 10 0 BDAERO [NH3+]CCC(=O)Nc1cccc2cnccc21 ZINC000037413646 181369367 /nfs/dbraw/zinc/36/93/67/181369367.db2.gz YBPWQIGMQKUWPY-UHFFFAOYSA-N 1 0 215.256 1.522 10 0 BDAERO C[C@@H]1CCN(C/C(Cl)=C\Cl)C[C@H]1[NH3+] ZINC000252646642 364723662 /nfs/dbraw/zinc/72/36/62/364723662.db2.gz SDFDBPWAQKPZDD-YEPVEMNMSA-N 1 0 223.147 1.975 10 0 BDAERO CCn1cc([C@H]2CCNc3[nH+]ccn32)cn1 ZINC000234244130 541395557 /nfs/dbraw/zinc/39/55/57/541395557.db2.gz KTNAGIADRCNBQT-SNVBAGLBSA-N 1 0 217.276 1.505 10 0 BDAERO [NH3+]CCCC1(c2cccs2)OCCO1 ZINC000049815407 181373304 /nfs/dbraw/zinc/37/33/04/181373304.db2.gz HELFPLQHFWJCEZ-UHFFFAOYSA-N 1 0 213.302 1.687 10 0 BDAERO [NH3+]CCCCC(=O)NCc1ccc(O)cc1 ZINC000083351969 181373575 /nfs/dbraw/zinc/37/35/75/181373575.db2.gz XJJQBHZYYYGMSC-UHFFFAOYSA-N 1 0 222.288 1.137 10 0 BDAERO [NH3+]CCCCCNC(=O)COc1ccccc1 ZINC000074320159 181375210 /nfs/dbraw/zinc/37/52/10/181375210.db2.gz MECREALMRDZRLF-UHFFFAOYSA-N 1 0 236.315 1.311 10 0 BDAERO [NH3+]CCCCCNC(=O)c1ccc(F)c(F)c1 ZINC000074320265 181375582 /nfs/dbraw/zinc/37/55/82/181375582.db2.gz YXJMLZWWTJITFN-UHFFFAOYSA-N 1 0 242.269 1.824 10 0 BDAERO C[C@]12CCCC[C@H]1CN2C(=O)[C@H]1CC[NH2+]C1 ZINC000638754785 541410380 /nfs/dbraw/zinc/41/03/80/541410380.db2.gz ABMJQAHZHJOXJK-GVXVVHGQSA-N 1 0 222.332 1.387 10 0 BDAERO [NH3+]CCCN(C(=O)COc1ccccc1)C1CC1 ZINC000036731413 181379263 /nfs/dbraw/zinc/37/92/63/181379263.db2.gz KLBNLEXRCURFJG-UHFFFAOYSA-N 1 0 248.326 1.405 10 0 BDAERO [NH3+]CCCN(C(=O)c1cccc(O)c1)C1CC1 ZINC000034960128 181379928 /nfs/dbraw/zinc/37/99/28/181379928.db2.gz NMEXIKVNXFPFIY-UHFFFAOYSA-N 1 0 234.299 1.346 10 0 BDAERO [NH3+]CCCCn1ncc2ccccc2c1=O ZINC000019267113 181380025 /nfs/dbraw/zinc/38/00/25/181380025.db2.gz ZSHVWCRNSQVLBK-UHFFFAOYSA-N 1 0 217.272 1.135 10 0 BDAERO [NH3+]CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000037713660 181383522 /nfs/dbraw/zinc/38/35/22/181383522.db2.gz OMGZMDFUIXHLBQ-LLVKDONJSA-N 1 0 206.289 1.318 10 0 BDAERO [NH3+]CCN1CCC(c2cccc(F)c2)CC1 ZINC000071524527 181392053 /nfs/dbraw/zinc/39/20/53/181392053.db2.gz ZREAUTDYWPHISR-UHFFFAOYSA-N 1 0 222.307 1.964 10 0 BDAERO [NH3+]CCC[S@](=O)c1ccc(F)c(F)c1 ZINC000040954866 181385580 /nfs/dbraw/zinc/38/55/80/181385580.db2.gz WIDSXHQYPQWSCF-CQSZACIVSA-N 1 0 219.256 1.421 10 0 BDAERO [NH3+]CCN1c2cccc3cccc(c23)C1=O ZINC000019429527 181392151 /nfs/dbraw/zinc/39/21/51/181392151.db2.gz HSMLXNLTTXEFNX-UHFFFAOYSA-N 1 0 212.252 1.759 10 0 BDAERO [NH3+]CCCc1nc(-c2cccnc2)c[nH]1 ZINC000036876210 181387327 /nfs/dbraw/zinc/38/73/27/181387327.db2.gz BISYYNQBYDOOOJ-UHFFFAOYSA-N 1 0 202.261 1.363 10 0 BDAERO [NH3+]CCCc1noc(-c2ccncc2)n1 ZINC000019682237 181388058 /nfs/dbraw/zinc/38/80/58/181388058.db2.gz ADXXHFGZVMTNFI-UHFFFAOYSA-N 1 0 204.233 1.023 10 0 BDAERO [NH3+]CCCc1noc(-c2cccc(F)c2)n1 ZINC000019682252 181388291 /nfs/dbraw/zinc/38/82/91/181388291.db2.gz NZBQEMYPNSTUDD-UHFFFAOYSA-N 1 0 221.235 1.767 10 0 BDAERO [NH3+]CCN(C(=O)c1cccnc1)C1CCCC1 ZINC000070943664 181390572 /nfs/dbraw/zinc/39/05/72/181390572.db2.gz XFNBFNFCRLCEMQ-UHFFFAOYSA-N 1 0 233.315 1.425 10 0 BDAERO NCC[N@H+](CCCn1ccnc1)C1CCCC1 ZINC000042428376 181390763 /nfs/dbraw/zinc/39/07/63/181390763.db2.gz DWZWMUOUBYQTCW-UHFFFAOYSA-N 1 0 236.363 1.477 10 0 BDAERO [NH3+]CCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000032014831 181390988 /nfs/dbraw/zinc/39/09/88/181390988.db2.gz DFCSLLVBDUWNQD-LBPRGKRZSA-N 1 0 224.304 1.219 10 0 BDAERO [NH3+]CCN1C[C@@H](c2cccs2)OC1=O ZINC000041226313 181393105 /nfs/dbraw/zinc/39/31/05/181393105.db2.gz WNSSCSMIMXDMHX-ZETCQYMHSA-N 1 0 212.274 1.200 10 0 BDAERO [NH3+]CCNCc1csc(-c2ccccn2)n1 ZINC000037712900 181397603 /nfs/dbraw/zinc/39/76/03/181397603.db2.gz XPWZKILRQYFFKS-UHFFFAOYSA-N 1 0 234.328 1.253 10 0 BDAERO [NH3+]CCNc1cc(C(F)(F)F)ccn1 ZINC000043131381 181397878 /nfs/dbraw/zinc/39/78/78/181397878.db2.gz UBPKATZGLLTBHZ-UHFFFAOYSA-N 1 0 205.183 1.471 10 0 BDAERO [NH3+]CCOCc1c(F)cccc1Cl ZINC000028522043 181399279 /nfs/dbraw/zinc/39/92/79/181399279.db2.gz HCUBQMALGCJLTK-UHFFFAOYSA-N 1 0 203.644 1.954 10 0 BDAERO [NH3+]CCOCc1ccc(F)cc1Cl ZINC000051864392 181399312 /nfs/dbraw/zinc/39/93/12/181399312.db2.gz QTPBSVVCNMHNJJ-UHFFFAOYSA-N 1 0 203.644 1.954 10 0 BDAERO [NH3+]CCOc1ccc(-c2cocn2)cc1 ZINC000038363646 181399439 /nfs/dbraw/zinc/39/94/39/181399439.db2.gz YKKTVVVZWNXYGC-UHFFFAOYSA-N 1 0 204.229 1.679 10 0 BDAERO [NH3+]CCS[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000036854478 181401927 /nfs/dbraw/zinc/40/19/27/181401927.db2.gz ZOEVBCUZSDVPFE-SECBINFHSA-N 1 0 243.353 1.207 10 0 BDAERO CC[NH+](CC)CC(=O)N1CCS[C@@H](C)C1 ZINC000171564861 365217106 /nfs/dbraw/zinc/21/71/06/365217106.db2.gz DFJSZEZBGWVCRU-JTQLQIEISA-N 1 0 230.377 1.292 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000334163919 181426999 /nfs/dbraw/zinc/42/69/99/181426999.db2.gz YORAEQHAFXERPL-GWCFXTLKSA-N 1 0 231.299 1.092 10 0 BDAERO CC[C@@H](O)C[NH+]1CCN(CC=C(C)C)CC1 ZINC000174089723 365470053 /nfs/dbraw/zinc/47/00/53/365470053.db2.gz QMDGECUQDUFKRQ-CYBMUJFWSA-N 1 0 226.364 1.341 10 0 BDAERO C[N@H+](C[C@H]1CCCC[C@@H]1O)[C@@H]1CCC[C@H]1O ZINC000575991802 365438515 /nfs/dbraw/zinc/43/85/15/365438515.db2.gz DRGYYRJSCAODIB-FVCCEPFGSA-N 1 0 227.348 1.383 10 0 BDAERO COc1ccc2[nH]c(C3([NH3+])CC3)nc2c1 ZINC000203514411 541474093 /nfs/dbraw/zinc/47/40/93/541474093.db2.gz JXAGNQNZPCSLSH-UHFFFAOYSA-N 1 0 203.245 1.519 10 0 BDAERO CC(C)Cc1cc2n(n1)[C@@H](C[NH3+])CCN2 ZINC000232645950 541504847 /nfs/dbraw/zinc/50/48/47/541504847.db2.gz RXVRBOQSYLTEIB-SNVBAGLBSA-N 1 0 208.309 1.397 10 0 BDAERO CC(C)Cc1cc2nccc(C[NH3+])n2n1 ZINC000232646597 541505042 /nfs/dbraw/zinc/50/50/42/541505042.db2.gz LAPIVAMFKZOWPC-UHFFFAOYSA-N 1 0 204.277 1.387 10 0 BDAERO CC[C@H](C[NH3+])[C@H](O)c1cnc(C)s1 ZINC000234043019 541510692 /nfs/dbraw/zinc/51/06/92/541510692.db2.gz SLZCBOVSMSNGTE-APPZFPTMSA-N 1 0 200.307 1.470 10 0 BDAERO CCc1cc2n(n1)[C@@H]1CC[NH2+]C[C@@H]1CN2 ZINC000234202390 541512250 /nfs/dbraw/zinc/51/22/50/541512250.db2.gz YEBKNUKLYOTKPK-PSASIEDQSA-N 1 0 206.293 1.022 10 0 BDAERO CCC[C@@H](C(=O)N(CC)CC(F)F)[NH+](C)C ZINC000185791600 367143657 /nfs/dbraw/zinc/14/36/57/367143657.db2.gz VIEYDUPUAABAAD-VIFPVBQESA-N 1 0 236.306 1.830 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000381966892 367474503 /nfs/dbraw/zinc/47/45/03/367474503.db2.gz AMPXBEVWQGLTRJ-GZMMTYOYSA-N 1 0 229.682 1.950 10 0 BDAERO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000382049099 367481877 /nfs/dbraw/zinc/48/18/77/367481877.db2.gz DADWQNFGMIFYPE-GWOFURMSSA-N 1 0 210.321 1.241 10 0 BDAERO CC(C)CCCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000381619120 367439189 /nfs/dbraw/zinc/43/91/89/367439189.db2.gz XQGUTJSEVIPFHQ-NWDGAFQWSA-N 1 0 212.337 1.095 10 0 BDAERO COc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)ncn1 ZINC000382549875 367537019 /nfs/dbraw/zinc/53/70/19/367537019.db2.gz ZZHFIROUPVYWOP-DTWKUNHWSA-N 1 0 222.292 1.025 10 0 BDAERO CCc1ncnc(N[C@@H]2CC[C@@H](C[NH3+])C2)c1F ZINC000382408764 367516987 /nfs/dbraw/zinc/51/69/87/367516987.db2.gz CKXHJAYQOXSIHO-RKDXNWHRSA-N 1 0 238.310 1.717 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2ccccc2)C[C@H]1[NH3+] ZINC000383118993 367597974 /nfs/dbraw/zinc/59/79/74/367597974.db2.gz CXQWJYXTNCEANL-FZJVHEGESA-N 1 0 230.311 1.505 10 0 BDAERO CC(C)c1cc(N[C@@H](CC[NH3+])C(F)F)ncn1 ZINC000383472429 367626016 /nfs/dbraw/zinc/62/60/16/367626016.db2.gz RZGSYWFJHIXCSG-QMMMGPOBSA-N 1 0 244.289 1.994 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000383652653 367647493 /nfs/dbraw/zinc/64/74/93/367647493.db2.gz QIVWUTBJPJBLBJ-SECBINFHSA-N 1 0 234.299 1.558 10 0 BDAERO [NH3+]CC[C@@H](Nc1ccc(F)cn1)C(F)F ZINC000383509386 367631669 /nfs/dbraw/zinc/63/16/69/367631669.db2.gz SBKGEBJUMNFEKX-SSDOTTSWSA-N 1 0 219.210 1.615 10 0 BDAERO COC(=O)c1ccc(N(C)C2CC([NH3+])C2)nc1C ZINC000384730548 367721678 /nfs/dbraw/zinc/72/16/78/367721678.db2.gz BCHNFPJIWOSAFR-UHFFFAOYSA-N 1 0 249.314 1.103 10 0 BDAERO CC(C)Oc1cncc(N(C)C2CC([NH3+])C2)n1 ZINC000384762889 367728684 /nfs/dbraw/zinc/72/86/84/367728684.db2.gz QKXZORIZQAGEBR-UHFFFAOYSA-N 1 0 236.319 1.190 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)C(C)(C)C ZINC000384875152 367748134 /nfs/dbraw/zinc/74/81/34/367748134.db2.gz PMFLIFISCZARRR-OUAUKWLOSA-N 1 0 215.337 1.239 10 0 BDAERO CC(C)OCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384898057 367753494 /nfs/dbraw/zinc/75/34/94/367753494.db2.gz MYLVSRLSEPKZBZ-MNOVXSKESA-N 1 0 201.310 1.257 10 0 BDAERO C[C@H](CCCC[NH3+])Nc1ccc2nccnc2n1 ZINC000385236941 367811837 /nfs/dbraw/zinc/81/18/37/367811837.db2.gz JYVPNAJBOYDAQY-SNVBAGLBSA-N 1 0 245.330 1.328 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000440946705 201527237 /nfs/dbraw/zinc/52/72/37/201527237.db2.gz AELSFAHDDKMJQS-QJPTWQEYSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@H](N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C)C1(C)CC1 ZINC000385432107 367828994 /nfs/dbraw/zinc/82/89/94/367828994.db2.gz JZZGLGNXPWFTPA-GMTAPVOTSA-N 1 0 224.348 1.489 10 0 BDAERO C[C@H]1SCCS[C@H]1C(=[NH2+])NC1CC1 ZINC000252722907 367894323 /nfs/dbraw/zinc/89/43/23/367894323.db2.gz SBJNUUXYJICLDC-HTRCEHHLSA-N 1 0 216.375 1.953 10 0 BDAERO C[C@@H]1OCC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000252740393 367902345 /nfs/dbraw/zinc/90/23/45/367902345.db2.gz GSRJFMJBLOARQZ-TUAOUCFPSA-N 1 0 240.347 1.060 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCS1 ZINC000087668358 367962765 /nfs/dbraw/zinc/96/27/65/367962765.db2.gz ABQGSZIOHXCJRS-WDEREUQCSA-N 1 0 242.388 1.388 10 0 BDAERO Cc1cnc(N2CC[C@H]([C@H](C)[NH3+])C2)nc1C ZINC000386461409 367977037 /nfs/dbraw/zinc/97/70/37/367977037.db2.gz NISWKJJYMUJJOA-ONGXEEELSA-N 1 0 220.320 1.267 10 0 BDAERO Cc1cnc(N2CC[C@H]([NH3+])[C@@H](C)C2)nc1C ZINC000386489176 367980376 /nfs/dbraw/zinc/98/03/76/367980376.db2.gz RWTKDNZZJAHBSW-ONGXEEELSA-N 1 0 220.320 1.267 10 0 BDAERO Cc1cnc(N2C[C@H](C)[NH2+]C[C@H]2C)nc1C ZINC000386523767 367985624 /nfs/dbraw/zinc/98/56/24/367985624.db2.gz YEVPJROXKDPCLY-VHSXEESVSA-N 1 0 220.320 1.280 10 0 BDAERO Cc1cnc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1C ZINC000386679617 368010179 /nfs/dbraw/zinc/01/01/79/368010179.db2.gz PODNTGQLRPJDCP-BETUJISGSA-N 1 0 246.358 1.529 10 0 BDAERO C[C@@H]1C[NH2+][C@@](C)([C@H]2CCOC2)SC1 ZINC000252931603 368168832 /nfs/dbraw/zinc/16/88/32/368168832.db2.gz BJXXIMJBBSYJAF-KXUCPTDWSA-N 1 0 201.335 1.712 10 0 BDAERO C[C@@H](c1cscn1)N1CC[NH2+][C@H](C)C1 ZINC000252933479 368169339 /nfs/dbraw/zinc/16/93/39/368169339.db2.gz CYWVAUMDDUGNRN-BDAKNGLRSA-N 1 0 211.334 1.498 10 0 BDAERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCCC1 ZINC000387476876 368227131 /nfs/dbraw/zinc/22/71/31/368227131.db2.gz BTJAWGIXHCHRKM-UONOGXRCSA-N 1 0 240.391 1.875 10 0 BDAERO [NH3+][C@@H]1CCCN(C[C@H]2CSCCS2)C1 ZINC000253011781 368276880 /nfs/dbraw/zinc/27/68/80/368276880.db2.gz CSSNGGKVLJUWDT-ZJUUUORDSA-N 1 0 232.418 1.258 10 0 BDAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc(O)cc1 ZINC000054929240 368304361 /nfs/dbraw/zinc/30/43/61/368304361.db2.gz JDXBVBIJMWROLN-VXGBXAGGSA-N 1 0 209.289 1.799 10 0 BDAERO CC(=O)N1CCc2ccccc2[C@H]1CC[NH3+] ZINC000527421990 368308773 /nfs/dbraw/zinc/30/87/73/368308773.db2.gz KGQZGVATMIJSJC-CYBMUJFWSA-N 1 0 218.300 1.481 10 0 BDAERO COc1cccc(C(=O)N[n+]2ccccc2)c1 ZINC000039283361 368330203 /nfs/dbraw/zinc/33/02/03/368330203.db2.gz RVRWCXWGOKWKDG-UHFFFAOYSA-O 1 0 229.259 1.367 10 0 BDAERO O=[N+]([O-])c1cccc([C@@H]2C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC000197437767 368398456 /nfs/dbraw/zinc/39/84/56/368398456.db2.gz DPELSNFBACLHNP-USWWRNFRSA-N 1 0 218.256 1.918 10 0 BDAERO CCCn1c2ccccc2nc1N1CC[NH2+]CC1 ZINC000000007946 368475528 /nfs/dbraw/zinc/47/55/28/368475528.db2.gz XDHIOZBDJAHMKX-UHFFFAOYSA-N 1 0 244.342 1.856 10 0 BDAERO CC(C)OC[C@H](O)C[NH2+]C[C@H](C)C(C)C ZINC000081057798 368572194 /nfs/dbraw/zinc/57/21/94/368572194.db2.gz XCHMFVMSPNAZPK-NWDGAFQWSA-N 1 0 217.353 1.654 10 0 BDAERO C[NH+](C)C[C@H]1CCc2cc(N)ccc2C1 ZINC000117626334 370943657 /nfs/dbraw/zinc/94/36/57/370943657.db2.gz LQRIWUQSMUFWPO-JTQLQIEISA-N 1 0 204.317 1.935 10 0 BDAERO c1ccc2c(c1)CCC[C@@]21C[NH2+]CCO1 ZINC000083471385 368779666 /nfs/dbraw/zinc/77/96/66/368779666.db2.gz VHPKXQQVPSIBPQ-CYBMUJFWSA-N 1 0 203.285 1.838 10 0 BDAERO Cn1ccnc1C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000226519100 368790059 /nfs/dbraw/zinc/79/00/59/368790059.db2.gz MRWSQEQJUILJAT-VIFPVBQESA-N 1 0 207.277 1.135 10 0 BDAERO C[C@@H]1CCN[C@@]2(CC[NH2+]C[C@H]2C)S1 ZINC000253286726 368913850 /nfs/dbraw/zinc/91/38/50/368913850.db2.gz OVFUFGNETQTYSZ-BBBLOLIVSA-N 1 0 200.351 1.427 10 0 BDAERO Clc1cc(N2CC[NH2+]CC2)c(Cl)nn1 ZINC000113289002 368889250 /nfs/dbraw/zinc/88/92/50/368889250.db2.gz HMPILFPQBJZQDZ-UHFFFAOYSA-N 1 0 233.102 1.193 10 0 BDAERO CC(C)(O)[C@](C)(O)CCCCCC[NH3+] ZINC000113358918 368889995 /nfs/dbraw/zinc/88/99/95/368889995.db2.gz DAFYOOVDLZGYHH-LLVKDONJSA-N 1 0 203.326 1.418 10 0 BDAERO CN(C)[C@@H]1CC[N@H+](CCc2cccc(N)c2)C1 ZINC000087846358 368898888 /nfs/dbraw/zinc/89/88/88/368898888.db2.gz RISZRIKAEYFLGU-CQSZACIVSA-N 1 0 233.359 1.447 10 0 BDAERO CC[C@@H]1C[N@H+](C[C@H]2CCOC2)CCC1=O ZINC000253262028 368907566 /nfs/dbraw/zinc/90/75/66/368907566.db2.gz IJIXTHOKGUUEJL-GHMZBOCLSA-N 1 0 211.305 1.324 10 0 BDAERO Cn1c2ccncc2nc1C1CC[NH2+]CC1 ZINC000084132365 368848765 /nfs/dbraw/zinc/84/87/65/368848765.db2.gz IVKSENRMXHUHNN-UHFFFAOYSA-N 1 0 216.288 1.435 10 0 BDAERO C[C@H]1C[N@H+](C)CC[C@H]1n1cccc1C=O ZINC000253291414 368919512 /nfs/dbraw/zinc/91/95/12/368919512.db2.gz QPTUCQJBJSYSDM-CMPLNLGQSA-N 1 0 206.289 1.813 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@H](C)C(C)(C)C ZINC000114474700 368940796 /nfs/dbraw/zinc/94/07/96/368940796.db2.gz VBHFJIWUFGEPGR-SECBINFHSA-N 1 0 225.340 1.778 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCOC[C@H]2O)cs1 ZINC000623766586 369030607 /nfs/dbraw/zinc/03/06/07/369030607.db2.gz IQVXOOGVYCIUDT-WDEREUQCSA-N 1 0 227.329 1.296 10 0 BDAERO [NH3+]C[C@@H]1Cc2ccc(Cl)cc2[C@H](O)C1 ZINC000057939178 181437967 /nfs/dbraw/zinc/43/79/67/181437967.db2.gz WHTXVSSJKSQEMP-RDDDGLTNSA-N 1 0 211.692 1.895 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2cccnc2)CC1 ZINC000616592092 369099847 /nfs/dbraw/zinc/09/98/47/369099847.db2.gz BSSDFQOVFIKBSZ-LBPRGKRZSA-N 1 0 206.289 1.865 10 0 BDAERO CC(C)n1ccnc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838785 369121680 /nfs/dbraw/zinc/12/16/80/369121680.db2.gz VAUWYSWWOGAPOS-VXGBXAGGSA-N 1 0 236.363 1.491 10 0 BDAERO [NH3+]C[C@H]1Cc2ccc(Cl)cc2[C@@H](O)C1 ZINC000057939181 181468229 /nfs/dbraw/zinc/46/82/29/181468229.db2.gz WHTXVSSJKSQEMP-CPCISQLKSA-N 1 0 211.692 1.895 10 0 BDAERO [NH3+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000082640874 181474408 /nfs/dbraw/zinc/47/44/08/181474408.db2.gz HNODCEMVLBNTEX-UHFFFAOYSA-N 1 0 209.199 1.814 10 0 BDAERO OCCN1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000108110210 369376863 /nfs/dbraw/zinc/37/68/63/369376863.db2.gz NBKKZYXMHPUORR-AWEZNQCLSA-N 1 0 240.391 1.613 10 0 BDAERO c1ccc(CC[N@@H+]2CC[C@H]3OCCN[C@H]3C2)cc1 ZINC000404042285 369417188 /nfs/dbraw/zinc/41/71/88/369417188.db2.gz AQTNTCQIULLCDO-LSDHHAIUSA-N 1 0 246.354 1.292 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404033552 369417357 /nfs/dbraw/zinc/41/73/57/369417357.db2.gz XVIBXEPTYNDBIR-SDDRHHMPSA-N 1 0 240.347 1.012 10 0 BDAERO c1ccc(CC[N@@H+]2CC[C@@H]3OCCN[C@H]3C2)cc1 ZINC000404042281 369417645 /nfs/dbraw/zinc/41/76/45/369417645.db2.gz AQTNTCQIULLCDO-GJZGRUSLSA-N 1 0 246.354 1.292 10 0 BDAERO CCCCC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404191022 369422180 /nfs/dbraw/zinc/42/21/80/369422180.db2.gz HRAHLJVIXDKNLU-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO CC(C)(C)OC(=O)Nc1ccc(C[NH3+])nn1 ZINC000307676326 370023982 /nfs/dbraw/zinc/02/39/82/370023982.db2.gz HBMNKSMCCWNPOP-UHFFFAOYSA-N 1 0 224.264 1.282 10 0 in-vitro BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccccc1Cl ZINC000308517995 370143395 /nfs/dbraw/zinc/14/33/95/370143395.db2.gz PGJHLYAJCHJEHO-GXSJLCMTSA-N 1 0 211.692 1.810 10 0 BDAERO Cc1cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)ccn1 ZINC000621300218 370229481 /nfs/dbraw/zinc/22/94/81/370229481.db2.gz BPPSUCWWMCMWSH-GXFFZTMASA-N 1 0 220.316 1.593 10 0 BDAERO Cc1cc(C[N@H+]2C[C@H](O)CC[C@@H]2C)ccn1 ZINC000621302451 370232835 /nfs/dbraw/zinc/23/28/35/370232835.db2.gz CXUXHJIUKSTRBC-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO CC[NH+](CC)CCNC(=O)N[C@H]1C[C@H]1C ZINC000076049749 370206389 /nfs/dbraw/zinc/20/63/89/370206389.db2.gz GHTURNDGPYADTA-ZJUUUORDSA-N 1 0 213.325 1.036 10 0 BDAERO O=[S@](c1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000215256296 370364423 /nfs/dbraw/zinc/36/44/23/370364423.db2.gz LWCHBRQOBQGITJ-CLAHSXSESA-N 1 0 213.277 1.295 10 0 BDAERO COC(=O)c1cnc(C2CC[NH+](C)CC2)cn1 ZINC000113029290 370371766 /nfs/dbraw/zinc/37/17/66/370371766.db2.gz RKVLUSWURXEDNB-UHFFFAOYSA-N 1 0 235.287 1.072 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC[C@@H]2CC2(F)F)C1 ZINC000621671281 370421634 /nfs/dbraw/zinc/42/16/34/370421634.db2.gz NAHATTUYUMBQPS-IVZWLZJFSA-N 1 0 246.301 1.665 10 0 BDAERO Nc1cc[nH+]cc1[C@@H](O)c1nccs1 ZINC000161572282 370429426 /nfs/dbraw/zinc/42/94/26/370429426.db2.gz MKCNQYCYNYIMAX-MRVPVSSYSA-N 1 0 207.258 1.202 10 0 BDAERO OC1(c2ccncc2)CCC2(CC[NH2+]C2)CC1 ZINC000113931579 370515908 /nfs/dbraw/zinc/51/59/08/370515908.db2.gz PBKRYTXKHLZLHR-UHFFFAOYSA-N 1 0 232.327 1.823 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000623765244 371086547 /nfs/dbraw/zinc/08/65/47/371086547.db2.gz PNXBZKCTWDAOOP-SDDRHHMPSA-N 1 0 211.305 1.082 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cc1ccccn1 ZINC000038049674 181576638 /nfs/dbraw/zinc/57/66/38/181576638.db2.gz DZXUCWWEQSOVIL-VXGBXAGGSA-N 1 0 233.315 1.010 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCCn1cccn1 ZINC000163801864 326405537 /nfs/dbraw/zinc/40/55/37/326405537.db2.gz JGIUWGQTYGPBKU-VXGBXAGGSA-N 1 0 223.320 1.166 10 0 BDAERO [NH3+][C@@H]1C[C@@H]1c1ccc(Br)o1 ZINC000037381310 181599140 /nfs/dbraw/zinc/59/91/40/181599140.db2.gz GNHMFOXDCNCVFQ-CRCLSJGQSA-N 1 0 202.051 1.857 10 0 BDAERO [NH3+][C@H](c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043299760 181631040 /nfs/dbraw/zinc/63/10/40/181631040.db2.gz HIAZDYLIPDGQMK-GXSJLCMTSA-N 1 0 243.303 1.260 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Cc1ccccn1 ZINC000038049673 181641715 /nfs/dbraw/zinc/64/17/15/181641715.db2.gz DZXUCWWEQSOVIL-RYUDHWBXSA-N 1 0 233.315 1.010 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc[nH]1 ZINC000038049620 181642809 /nfs/dbraw/zinc/64/28/09/181642809.db2.gz BKZPGGCIRXLWER-DTWKUNHWSA-N 1 0 207.277 1.014 10 0 BDAERO [NH3+][C@H]1C[C@@H]1Nc1ncccc1Br ZINC000042376034 181659068 /nfs/dbraw/zinc/65/90/68/181659068.db2.gz RIVGRVBWSNTTQU-BQBZGAKWSA-N 1 0 228.093 1.356 10 0 BDAERO [NH3+][C@H]1C[C@H]1Nc1ncccc1Br ZINC000042376033 181660242 /nfs/dbraw/zinc/66/02/42/181660242.db2.gz RIVGRVBWSNTTQU-NKWVEPMBSA-N 1 0 228.093 1.356 10 0 BDAERO [NH3+][C@]12CC[C@H](CO)C[C@@H]1Cc1ccccc12 ZINC000013826000 181663169 /nfs/dbraw/zinc/66/31/69/181663169.db2.gz KAXOWBMDDVCDCG-ZKYQVNSYSA-N 1 0 217.312 1.805 10 0 BDAERO CCCCN(CC[NH3+])[C@@H](C)C(=O)NCC(C)C ZINC000104303556 168811312 /nfs/dbraw/zinc/81/13/12/168811312.db2.gz SOWAZRYBQMFJLT-LBPRGKRZSA-N 1 0 243.395 1.208 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccc(F)cc1 ZINC000624235071 371422718 /nfs/dbraw/zinc/42/27/18/371422718.db2.gz CZGNTDKHBIXEJM-XDTLVQLUSA-N 1 0 239.290 1.626 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000624236191 371423784 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ZINC000225723571 371570746 /nfs/dbraw/zinc/57/07/46/371570746.db2.gz ARHPFUQXUGOUMK-BDAKNGLRSA-N 1 0 200.351 1.783 10 0 BDAERO C[NH2+]Cc1nnc([C@@H]2CO[C@H](C)C2)s1 ZINC000161859248 371573166 /nfs/dbraw/zinc/57/31/66/371573166.db2.gz OHEIFZOYVRREFF-RQJHMYQMSA-N 1 0 213.306 1.150 10 0 BDAERO CC1(Cc2cncc(Br)c2)C[NH2+]C1 ZINC000161893465 371578515 /nfs/dbraw/zinc/57/85/15/371578515.db2.gz VMYXXDJFBYHXTO-UHFFFAOYSA-N 1 0 241.132 1.996 10 0 BDAERO c1ncc(CN[C@@H]2CCC[NH2+]CC2)s1 ZINC000131440164 371604618 /nfs/dbraw/zinc/60/46/18/371604618.db2.gz YXBIIYRKZZRCKJ-SECBINFHSA-N 1 0 211.334 1.375 10 0 BDAERO COC(=O)N1CCCC[C@H](CC[NH3+])C1 ZINC000216005617 371676302 /nfs/dbraw/zinc/67/63/02/371676302.db2.gz JHQZZMNWVBCUAZ-SECBINFHSA-N 1 0 200.282 1.204 10 0 BDAERO [NH3+][C@@H]1CCCCC[C@H]1Oc1nncs1 ZINC000131565345 371625852 /nfs/dbraw/zinc/62/58/52/371625852.db2.gz ILLBSZRWESEOJY-HTQZYQBOSA-N 1 0 213.306 1.577 10 0 BDAERO C[C@@H]1CCC[N@H+](CC(=O)c2ccc[nH]2)C1 ZINC000028659673 371631049 /nfs/dbraw/zinc/63/10/49/371631049.db2.gz HJYPQQZACIJHQK-SNVBAGLBSA-N 1 0 206.289 1.929 10 0 BDAERO Cc1cnc(N)c(C(=O)CC(C)(C)[NH3+])c1 ZINC000226504277 371684879 /nfs/dbraw/zinc/68/48/79/371684879.db2.gz OJMBQBBREQGLKY-UHFFFAOYSA-N 1 0 207.277 1.282 10 0 BDAERO CC[C@@H]1CS[C@@]2(CCO[C@@H](C)C2)[NH2+]1 ZINC000226597943 371703114 /nfs/dbraw/zinc/70/31/14/371703114.db2.gz ZQKOAKQRPDHPJV-IVZWLZJFSA-N 1 0 201.335 1.997 10 0 BDAERO Nc1ncccc1C[N@@H+]1CCCC[C@H]1CO ZINC000052729415 181801871 /nfs/dbraw/zinc/80/18/71/181801871.db2.gz NESYSYVJJKUPTG-NSHDSACASA-N 1 0 221.304 1.011 10 0 BDAERO C[C@@H](CC(N)=S)[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000132411928 371815872 /nfs/dbraw/zinc/81/58/72/371815872.db2.gz LNUDUHWGJVFXAM-YIZRAAEISA-N 1 0 232.418 1.877 10 0 BDAERO CCCNC(=[NH2+])N1CCS[C@@H](C)[C@@H]1C ZINC000132447751 371825150 /nfs/dbraw/zinc/82/51/50/371825150.db2.gz FOVXYFHRNDMCLF-IUCAKERBSA-N 1 0 215.366 1.747 10 0 BDAERO C[C@H](CO)S[C@H]1CCC(C)(C)[C@@H]1[NH3+] ZINC000162881830 371875531 /nfs/dbraw/zinc/87/55/31/371875531.db2.gz DWNBIXVWBFQVFR-HRDYMLBCSA-N 1 0 203.351 1.616 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])CN1C(=O)c2ccccc2C1=O ZINC000132627606 371877111 /nfs/dbraw/zinc/87/71/11/371877111.db2.gz AFKGZNXBHIWYDH-SKDRFNHKSA-N 1 0 246.310 1.656 10 0 BDAERO C[C@H]1SCCN(CC2([NH3+])CC2)[C@H]1C ZINC000132489398 371838745 /nfs/dbraw/zinc/83/87/45/371838745.db2.gz NTNNFRURRBHVQK-DTWKUNHWSA-N 1 0 200.351 1.304 10 0 BDAERO [NH3+][C@H]1COC[C@H]1c1cccc(Br)c1 ZINC000217116743 371892652 /nfs/dbraw/zinc/89/26/52/371892652.db2.gz KIAQEABBQFJVNP-UWVGGRQHSA-N 1 0 242.116 1.890 10 0 BDAERO Cc1ccc(N2C[C@@H]([NH3+])C2=O)cc1Cl ZINC000227618980 371905456 /nfs/dbraw/zinc/90/54/56/371905456.db2.gz PDAXEUJOCPMHRA-SECBINFHSA-N 1 0 210.664 1.322 10 0 BDAERO [NH3+]C1CCC(CNc2nncs2)CC1 ZINC000227679935 371920223 /nfs/dbraw/zinc/92/02/23/371920223.db2.gz WWPQKZRZBIIWEM-UHFFFAOYSA-N 1 0 212.322 1.468 10 0 BDAERO C[NH2+][C@@H](c1nccn1C)[C@H]1CCSC1 ZINC000163112433 371931904 /nfs/dbraw/zinc/93/19/04/371931904.db2.gz BKWPFOVXPXURSW-DTWKUNHWSA-N 1 0 211.334 1.434 10 0 BDAERO Brc1cnnn1C[C@@H]1CCCC[NH2+]1 ZINC000217496221 371966261 /nfs/dbraw/zinc/96/62/61/371966261.db2.gz MJNCSZZJJCUKHN-ZETCQYMHSA-N 1 0 245.124 1.183 10 0 BDAERO [NH2+]=C1N[C@@H](c2sccc2Br)CO1 ZINC000228023559 371978549 /nfs/dbraw/zinc/97/85/49/371978549.db2.gz MLWZWMJIIDXBKN-RXMQYKEDSA-N 1 0 247.117 1.897 10 0 BDAERO CC[C@H]1C[N@@H+]([C@@H]2CCCC2=O)CCS1 ZINC000133118309 371991441 /nfs/dbraw/zinc/99/14/41/371991441.db2.gz PBPLUQJTTBNYLO-VHSXEESVSA-N 1 0 213.346 1.935 10 0 BDAERO Cc1csc(N2CC[C@@H]([NH3+])C[C@H]2C)n1 ZINC000228353566 372018594 /nfs/dbraw/zinc/01/85/94/372018594.db2.gz ZDMNIHYTGXNWAR-RKDXNWHRSA-N 1 0 211.334 1.768 10 0 BDAERO O=C(Cc1cccc(Cl)c1F)C1C[NH2+]C1 ZINC000228434344 372028018 /nfs/dbraw/zinc/02/80/18/372028018.db2.gz UVDKHSVWPJGIDX-UHFFFAOYSA-N 1 0 227.666 1.810 10 0 BDAERO C[C@H]1CSC[C@H]1Nc1cc[nH+]c(N)c1 ZINC000306596126 372042979 /nfs/dbraw/zinc/04/29/79/372042979.db2.gz YLZIUJLNZFBZSF-IONNQARKSA-N 1 0 209.318 1.827 10 0 BDAERO C[N@H+](C[C@H]1COCC[C@@H]1O)C(C)(C)C ZINC000306668603 372053092 /nfs/dbraw/zinc/05/30/92/372053092.db2.gz FWWNOFVYANBUGP-UWVGGRQHSA-N 1 0 201.310 1.114 10 0 BDAERO CCCNC(N)=[NH+]OCc1ccccc1 ZINC000307397047 372118925 /nfs/dbraw/zinc/11/89/25/372118925.db2.gz UPLBVEPZWHVBRJ-UHFFFAOYSA-N 1 0 207.277 1.642 10 0 BDAERO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]CCCF ZINC000306744301 372064650 /nfs/dbraw/zinc/06/46/50/372064650.db2.gz XYDTYNFYPUKTTA-VIFPVBQESA-N 1 0 234.315 1.849 10 0 BDAERO [NH2+]=C(NCc1ccccc1)NCC1(O)CCC1 ZINC000306778964 372066965 /nfs/dbraw/zinc/06/69/65/372066965.db2.gz SUGWHGJRELKNRT-UHFFFAOYSA-N 1 0 233.315 1.216 10 0 BDAERO CC(C)[S@](=O)N1CCCCC[C@H]1[NH3+] ZINC000306813266 372070077 /nfs/dbraw/zinc/07/00/77/372070077.db2.gz CLVQCLFSLJUKIL-ZANVPECISA-N 1 0 204.339 1.219 10 0 BDAERO [NH3+][C@H](c1cnsc1)[C@H]1CSCCO1 ZINC000404596486 372094842 /nfs/dbraw/zinc/09/48/42/372094842.db2.gz QZWMSNBBZRSUIX-HTQZYQBOSA-N 1 0 216.331 1.275 10 0 BDAERO C[C@@H]1CCSC(N[C@@H]2CCOC2)=[NH+]1 ZINC000133720748 372095054 /nfs/dbraw/zinc/09/50/54/372095054.db2.gz NTIQNHSCVQMOLO-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@H]([NH3+])C[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000218378084 372100663 /nfs/dbraw/zinc/10/06/63/372100663.db2.gz FQKBFYJIFBVEGV-LPEHRKFASA-N 1 0 219.350 1.327 10 0 BDAERO CC[C@@H]1CS[C@](C)([C@@H]2CCOC2)[NH2+]1 ZINC000229666108 372179822 /nfs/dbraw/zinc/17/98/22/372179822.db2.gz ZONKTQPGLNTUGU-OPRDCNLKSA-N 1 0 201.335 1.854 10 0 BDAERO [NH3+][C@@H](CCO)c1occc1Br ZINC000229299144 372137453 /nfs/dbraw/zinc/13/74/53/372137453.db2.gz ODMCBSDRZWODLF-LURJTMIESA-N 1 0 220.066 1.424 10 0 BDAERO Cc1ccc([C@@H]([NH3+])Cn2ccnc2)s1 ZINC000059112833 372143033 /nfs/dbraw/zinc/14/30/33/372143033.db2.gz SXNDZYRHYUROJV-VIFPVBQESA-N 1 0 207.302 1.953 10 0 BDAERO CC[C@]1(C)C[NH2+]C[C@@](C)([C@@H](C)OC)O1 ZINC000229438632 372149249 /nfs/dbraw/zinc/14/92/49/372149249.db2.gz UHWXOLWCJMZYSG-MXWKQRLJSA-N 1 0 201.310 1.569 10 0 BDAERO CC(C)Nc1ncnc(N)c1Br ZINC000232744287 372158259 /nfs/dbraw/zinc/15/82/59/372158259.db2.gz OYXJLSZCJKVMBE-UHFFFAOYSA-N 1 0 231.097 1.642 10 0 BDAERO O[C@@H](C[C@@H]1CCCC[NH2+]C1)C(F)(F)F ZINC000134218062 372182784 /nfs/dbraw/zinc/18/27/84/372182784.db2.gz GVLFOVKRIJONCO-YUMQZZPRSA-N 1 0 211.227 1.689 10 0 BDAERO COc1c(C[NH2+]C[C@@H](C)C2CC2)c(C)nn1C ZINC000134152417 372168565 /nfs/dbraw/zinc/16/85/65/372168565.db2.gz OFJGSDHJLLXKLL-SECBINFHSA-N 1 0 237.347 1.873 10 0 BDAERO CC(C)(C)[C@@H](O)[C@]1(C[NH3+])CCCOC1 ZINC000218947165 372172935 /nfs/dbraw/zinc/17/29/35/372172935.db2.gz FKWIRAZDYDWWDN-KOLCDFICSA-N 1 0 201.310 1.149 10 0 BDAERO O=C1CCCN([C@H]2CCCCC[C@@H]2O)C1 ZINC000134188893 372176586 /nfs/dbraw/zinc/17/65/86/372176586.db2.gz JGYHBKYNOYBIHY-RYUDHWBXSA-N 1 0 211.305 1.345 10 0 BDAERO [NH3+]CCNc1cc(F)ccc1Br ZINC000307486507 372123017 /nfs/dbraw/zinc/12/30/17/372123017.db2.gz BDTBCLHXFPCNKB-UHFFFAOYSA-N 1 0 233.084 1.959 10 0 BDAERO C[C@@H](CC[NH3+])CNC(=O)NCc1ccccc1 ZINC000232308191 372124135 /nfs/dbraw/zinc/12/41/35/372124135.db2.gz DGQZNTLXWUERJR-NSHDSACASA-N 1 0 235.331 1.471 10 0 BDAERO C[C@H](CC[NH3+])CNC(=O)NCc1ccccc1 ZINC000232308193 372124145 /nfs/dbraw/zinc/12/41/45/372124145.db2.gz DGQZNTLXWUERJR-LLVKDONJSA-N 1 0 235.331 1.471 10 0 BDAERO CC1(C)CS[C@@](C)([C@H]2CCOC2)[NH2+]1 ZINC000229666188 372179613 /nfs/dbraw/zinc/17/96/13/372179613.db2.gz HEXKLTDGLYHWOB-WPRPVWTQSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H](CC[NH3+])Nc1ncncc1Br ZINC000134275943 372191544 /nfs/dbraw/zinc/19/15/44/372191544.db2.gz IRXBATCERCDZPY-LURJTMIESA-N 1 0 245.124 1.388 10 0 BDAERO C[NH2+][C@@]1(c2nccs2)CCCN(C)C1 ZINC000134334754 372198152 /nfs/dbraw/zinc/19/81/52/372198152.db2.gz UXNLSLZMVRPUNU-JTQLQIEISA-N 1 0 211.334 1.283 10 0 BDAERO CC[N@@H+]1CCC[C@@H](c2ccccc2C(N)=O)C1 ZINC000139948606 372297162 /nfs/dbraw/zinc/29/71/62/372297162.db2.gz HGSMQKKDZBWREG-LLVKDONJSA-N 1 0 232.327 1.985 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+]C1CC(CO)C1 ZINC000668780612 487528053 /nfs/dbraw/zinc/52/80/53/487528053.db2.gz UOIXEXCPJODDGV-WOOKNIGNSA-N 1 0 201.335 1.098 10 0 BDAERO Cc1nc(CN2C[C@@H](C[NH3+])[C@H](C)C2)co1 ZINC000631837031 372626608 /nfs/dbraw/zinc/62/66/08/372626608.db2.gz LVLDELSIEXVYRK-PSASIEDQSA-N 1 0 209.293 1.010 10 0 BDAERO O=C(CO[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095072836 181999653 /nfs/dbraw/zinc/99/96/53/181999653.db2.gz LTKCAMBVWRHUTN-JTQLQIEISA-N 1 0 220.272 1.033 10 0 BDAERO Clc1ccc(NC[C@@H]2CCC[NH2+]2)cn1 ZINC000039075752 372861378 /nfs/dbraw/zinc/86/13/78/372861378.db2.gz IFDKFUYGOMWZEL-QMMMGPOBSA-N 1 0 211.696 1.899 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccncc1 ZINC000054305681 182018937 /nfs/dbraw/zinc/01/89/37/182018937.db2.gz OAUBHMCOIFTPKT-JTQLQIEISA-N 1 0 219.288 1.410 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCc2ccccc21 ZINC000042166316 182017965 /nfs/dbraw/zinc/01/79/65/182017965.db2.gz NBVPLWVVHRDROH-JSGCOSHPSA-N 1 0 244.338 1.932 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccncc1 ZINC000054305824 182028569 /nfs/dbraw/zinc/02/85/69/182028569.db2.gz KHPMURFDTZDNAE-GFCCVEGCSA-N 1 0 233.315 1.088 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCC1CCCC1 ZINC000054290775 182028680 /nfs/dbraw/zinc/02/86/80/182028680.db2.gz URQPLIUHTJPNEH-GFCCVEGCSA-N 1 0 224.348 1.683 10 0 BDAERO O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCC[NH2+]CC1 ZINC000019397107 182031195 /nfs/dbraw/zinc/03/11/95/182031195.db2.gz AKUSDAYZYKBGBI-YNEHKIRRSA-N 1 0 236.359 1.635 10 0 BDAERO OCCc1ccccc1C1CC[NH2+]CC1 ZINC000142111006 373105815 /nfs/dbraw/zinc/10/58/15/373105815.db2.gz URNDCILSOGAATH-UHFFFAOYSA-N 1 0 205.301 1.688 10 0 BDAERO CCCCNC(=O)Cc1ccc(C[NH3+])cc1 ZINC000082473370 168847267 /nfs/dbraw/zinc/84/72/67/168847267.db2.gz BDNAWRZZUMQXJA-UHFFFAOYSA-N 1 0 220.316 1.604 10 0 BDAERO Cc1csc(N[C@H]2CCC[N@@H+](C)C2)n1 ZINC000040673544 373592416 /nfs/dbraw/zinc/59/24/16/373592416.db2.gz IZWLWWHBXTVABG-VIFPVBQESA-N 1 0 211.334 1.958 10 0 BDAERO C[C@H]1CCN(C(=O)C2CCCC2)C[C@H]1[NH3+] ZINC000069719368 373647734 /nfs/dbraw/zinc/64/77/34/373647734.db2.gz ZQTKXHANMRXCGS-GXSJLCMTSA-N 1 0 210.321 1.372 10 0 BDAERO C[C@H]1CCN(C(=O)C2CCCC2)C[C@@H]1[NH3+] ZINC000069719361 373647926 /nfs/dbraw/zinc/64/79/26/373647926.db2.gz ZQTKXHANMRXCGS-ONGXEEELSA-N 1 0 210.321 1.372 10 0 BDAERO c1ccc2c(c1)CC[NH2+][C@H]2c1cncnc1 ZINC000069758214 373713652 /nfs/dbraw/zinc/71/36/52/373713652.db2.gz SZVZSGJQCYTCPN-ZDUSSCGKSA-N 1 0 211.268 1.712 10 0 BDAERO CCOC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000069731428 373662793 /nfs/dbraw/zinc/66/27/93/373662793.db2.gz AEBBDHOEZVBTSL-JTQLQIEISA-N 1 0 220.272 1.533 10 0 BDAERO CC[C@@H]1C[C@@]([NH3+])(c2nccs2)CCO1 ZINC000069894682 373972172 /nfs/dbraw/zinc/97/21/72/373972172.db2.gz YGPWHWQWLGQOIB-PSASIEDQSA-N 1 0 212.318 1.886 10 0 BDAERO O=C(NC[C@@H]1CC=CCC1)[C@H]1CC[NH2+]C1 ZINC000062116682 182222809 /nfs/dbraw/zinc/22/28/09/182222809.db2.gz TYZJVACFMOBZNN-MNOVXSKESA-N 1 0 208.305 1.068 10 0 BDAERO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[NH2+]C1 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NCWRTOFQYXFELN-UHFFFAOYSA-N 1 0 225.719 1.997 10 0 BDAERO OCC1([NH2+][C@@H]2CCCCC[C@@H]2O)CCCC1 ZINC000053069153 183038336 /nfs/dbraw/zinc/03/83/36/183038336.db2.gz AALBTYBKKGUEJE-NEPJUHHUSA-N 1 0 227.348 1.575 10 0 BDAERO OCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043426789 183050676 /nfs/dbraw/zinc/05/06/76/183050676.db2.gz VWYSNSLYPIECLM-RYUDHWBXSA-N 1 0 213.321 1.402 10 0 BDAERO OCCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043426786 183051249 /nfs/dbraw/zinc/05/12/49/183051249.db2.gz VWYSNSLYPIECLM-VXGBXAGGSA-N 1 0 213.321 1.402 10 0 BDAERO OCCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249555778 183056255 /nfs/dbraw/zinc/05/62/55/183056255.db2.gz JQMBIFHJZSPXLG-RYUDHWBXSA-N 1 0 241.356 1.138 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000120291632 183062552 /nfs/dbraw/zinc/06/25/52/183062552.db2.gz SRCCCXGYSHUDSI-ZDUSSCGKSA-N 1 0 227.348 1.650 10 0 BDAERO CCCC[C@H](C[NH3+])NC(=O)C1[C@@H]2CCC[C@H]12 ZINC000132842952 169002340 /nfs/dbraw/zinc/00/23/40/169002340.db2.gz HRIJXVIGGLTISC-YIBTVLSRSA-N 1 0 224.348 1.666 10 0 BDAERO OC[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000095933400 183116466 /nfs/dbraw/zinc/11/64/66/183116466.db2.gz MVBXGBJXKVIZOJ-NSHDSACASA-N 1 0 217.312 1.787 10 0 BDAERO CCCC[C@H]([NH3+])C(=O)N(CCOC)[C@H](C)CC ZINC000042591459 169005803 /nfs/dbraw/zinc/00/58/03/169005803.db2.gz PLBORIWLYUFHNH-NEPJUHHUSA-N 1 0 244.379 1.777 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336652653 183098540 /nfs/dbraw/zinc/09/85/40/183098540.db2.gz XCYFZGYRCVGXNK-VXGBXAGGSA-N 1 0 213.321 1.117 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000128039176 183098773 /nfs/dbraw/zinc/09/87/73/183098773.db2.gz JVNMPTSAIJOZPM-LLVKDONJSA-N 1 0 245.326 1.767 10 0 BDAERO OC[C@@H](O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061362360 183111227 /nfs/dbraw/zinc/11/12/27/183111227.db2.gz BWOACBNJAYFPKH-WCBMZHEXSA-N 1 0 227.329 1.068 10 0 BDAERO OC[C@@]1([NH2+]C2CCCC2)CCSC1 ZINC000038122649 183134133 /nfs/dbraw/zinc/13/41/33/183134133.db2.gz 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1 0 225.336 1.322 10 0 BDAERO OC[C@H](c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000038120837 183145252 /nfs/dbraw/zinc/14/52/52/183145252.db2.gz OGPLIZWJDXDTAU-GFCCVEGCSA-N 1 0 240.734 1.279 10 0 BDAERO O[C@@H](C[NH2+]C1COC1)c1ccc2ccccc2c1 ZINC000094710299 183179731 /nfs/dbraw/zinc/17/97/31/183179731.db2.gz KRTQEQOUYSQLNH-HNNXBMFYSA-N 1 0 243.306 1.862 10 0 BDAERO O[C@@H](c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000034963464 183184322 /nfs/dbraw/zinc/18/43/22/183184322.db2.gz QFMOSYQCNGBEPM-GFCCVEGCSA-N 1 0 227.254 1.998 10 0 BDAERO CCCN(C)C(=O)CC1CCC([NH3+])CC1 ZINC000055126435 169051532 /nfs/dbraw/zinc/05/15/32/169051532.db2.gz DUIRNAOTYMZAMR-UHFFFAOYSA-N 1 0 212.337 1.762 10 0 BDAERO O[C@@H](c1cc(F)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000036161928 183184636 /nfs/dbraw/zinc/18/46/36/183184636.db2.gz GRGDWUGAXBDPSE-QPUJVOFHSA-N 1 0 227.254 1.998 10 0 BDAERO OCc1cccc(OC2CC[NH2+]CC2)c1 ZINC000043475890 183168101 /nfs/dbraw/zinc/16/81/01/183168101.db2.gz JLBZMBOHEJUHKR-UHFFFAOYSA-N 1 0 207.273 1.310 10 0 BDAERO 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UOUPKBONSJZMJE-UHFFFAOYSA-N 1 0 241.379 1.911 10 0 BDAERO CCC[C@@H](C)N(C)C(=O)N1CC[NH2+]CC1 ZINC000036790394 169362278 /nfs/dbraw/zinc/36/22/78/169362278.db2.gz KUSRGXMZLCVWAP-SNVBAGLBSA-N 1 0 213.325 1.132 10 0 BDAERO CCC[C@@H](C)N(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037505037 169363360 /nfs/dbraw/zinc/36/33/60/169363360.db2.gz KWIWNVRKGMBHCT-GHMZBOCLSA-N 1 0 212.337 1.776 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCc2ncccc2C1 ZINC000037643350 169387637 /nfs/dbraw/zinc/38/76/37/169387637.db2.gz NXNCNBPPMQXRAT-LLVKDONJSA-N 1 0 233.315 1.094 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCCCC(C)(C)CO ZINC000182495641 169388986 /nfs/dbraw/zinc/38/89/86/169388986.db2.gz HMYDISUISKBCHG-SNVBAGLBSA-N 1 0 230.352 1.029 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(CC)cc1 ZINC000083361184 169390584 /nfs/dbraw/zinc/39/05/84/169390584.db2.gz IKDXXJFPIFPBAC-CYBMUJFWSA-N 1 0 234.343 1.993 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000037040780 169391930 /nfs/dbraw/zinc/39/19/30/169391930.db2.gz NJCBVBXWFNDWCY-SNVBAGLBSA-N 1 0 232.287 1.629 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000037769590 169392411 /nfs/dbraw/zinc/39/24/11/169392411.db2.gz VESCDYIJIYINSD-SECBINFHSA-N 1 0 232.287 1.629 10 0 BDAERO CO[C@@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224011936 134343877 /nfs/dbraw/zinc/34/38/77/134343877.db2.gz WGRLIFSTZCYMRF-NAKRPEOUSA-N 1 0 213.321 1.424 10 0 BDAERO CCC[C@H]([NH3+])CN1C(=O)c2ccccc2C1=O ZINC000050185932 169504708 /nfs/dbraw/zinc/50/47/08/169504708.db2.gz RTCCWJXITNVZBV-VIFPVBQESA-N 1 0 232.283 1.410 10 0 BDAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCOCCO ZINC000336768176 169526402 /nfs/dbraw/zinc/52/64/02/169526402.db2.gz TZNDLVGTDHJSHZ-RYUDHWBXSA-N 1 0 215.337 1.554 10 0 BDAERO CCN(C(=O)C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000054290704 169637680 /nfs/dbraw/zinc/63/76/80/169637680.db2.gz RYTZVNFIRLZQLQ-NSHDSACASA-N 1 0 212.337 1.633 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1nc(C2CC2)ns1 ZINC000307400160 532975614 /nfs/dbraw/zinc/97/56/14/532975614.db2.gz ZFMWSCYHSZYGOB-PHDIDXHHSA-N 1 0 212.322 1.563 10 0 BDAERO CCC[N@@H+]1CC[C@@H](CC(=O)OC)[C@@H](C)C1 ZINC000226858398 134370470 /nfs/dbraw/zinc/37/04/70/134370470.db2.gz ZXWZCPGSYLTMHC-QWRGUYRKSA-N 1 0 213.321 1.918 10 0 BDAERO CC(C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000227456884 134381179 /nfs/dbraw/zinc/38/11/79/134381179.db2.gz CSZSTFUIPMTHMF-IJLUTSLNSA-N 1 0 226.364 1.925 10 0 BDAERO COC[C@@H]1C[N@H+](CCO)CC12CCCC2 ZINC000409434864 383839072 /nfs/dbraw/zinc/83/90/72/383839072.db2.gz QYORGMCLZNPESK-NSHDSACASA-N 1 0 213.321 1.117 10 0 BDAERO COC(=O)[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000035571290 383861609 /nfs/dbraw/zinc/86/16/09/383861609.db2.gz BSDXYXKNEOGHEC-LBPRGKRZSA-N 1 0 245.322 1.968 10 0 BDAERO c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000309341520 383872600 /nfs/dbraw/zinc/87/26/00/383872600.db2.gz KKOWSVCSSNZOCM-NXEZZACHSA-N 1 0 221.304 1.036 10 0 BDAERO c1cnc2cc(N3CC[NH2+]CC3)ccc2c1 ZINC000088101827 383877675 /nfs/dbraw/zinc/87/76/75/383877675.db2.gz KWXCLRDVTINASG-UHFFFAOYSA-N 1 0 213.284 1.644 10 0 BDAERO C[C@@H](CC1CC1)[NH2+][C@@H]1CCc2nccn2C1 ZINC000371480399 383830085 /nfs/dbraw/zinc/83/00/85/383830085.db2.gz NYYQZHWFKMIFHU-CMPLNLGQSA-N 1 0 219.332 1.976 10 0 BDAERO C[C@H](CCO)[NH2+][C@H]1CCC[C@H]1CCF ZINC000308661069 383890691 /nfs/dbraw/zinc/89/06/91/383890691.db2.gz PXNNLMFDEGBKJM-VWYCJHECSA-N 1 0 203.301 1.875 10 0 BDAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(N)sc21 ZINC000050331292 384002084 /nfs/dbraw/zinc/00/20/84/384002084.db2.gz WHVCSIYJEXOUPM-LURJTMIESA-N 1 0 211.334 1.958 10 0 BDAERO Cc1nc(N)ncc1[C@H](C)[NH+]1CCCCC1 ZINC000068575349 383999974 /nfs/dbraw/zinc/99/99/74/383999974.db2.gz XLGFYRZNPFQVEZ-JTQLQIEISA-N 1 0 220.320 1.914 10 0 BDAERO CN(C1CC[NH2+]CC1)[C@H]1CCCCC1=O ZINC000050158718 383946385 /nfs/dbraw/zinc/94/63/85/383946385.db2.gz NGSHPLQJVFYZGJ-NSHDSACASA-N 1 0 210.321 1.182 10 0 BDAERO [NH3+][C@@H](c1ccc(Cl)s1)[C@H]1COCCO1 ZINC000055298933 383968216 /nfs/dbraw/zinc/96/82/16/383968216.db2.gz WHTRFPPYDZVQRB-HZGVNTEJSA-N 1 0 233.720 1.817 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnn2ccccc12 ZINC000070944316 383971600 /nfs/dbraw/zinc/97/16/00/383971600.db2.gz BXOXPYCPWZFQRZ-KOLCDFICSA-N 1 0 201.273 1.832 10 0 BDAERO Cc1ccccc1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643614772 384017400 /nfs/dbraw/zinc/01/74/00/384017400.db2.gz KRTNXWNKRWMSGD-NSHDSACASA-N 1 0 234.299 1.170 10 0 BDAERO O=C(NC1CCCCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000643616349 384007197 /nfs/dbraw/zinc/00/71/97/384007197.db2.gz RULCJIQGKJADLI-LLVKDONJSA-N 1 0 240.347 1.061 10 0 BDAERO COC[C@@]1(C(=O)N2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000643617050 384009260 /nfs/dbraw/zinc/00/92/60/384009260.db2.gz PHMJRRVOAYJVKI-WCQYABFASA-N 1 0 240.347 1.156 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000035677010 384089558 /nfs/dbraw/zinc/08/95/58/384089558.db2.gz QANOLTOLTKGRFP-BYPYZUCNSA-N 1 0 221.123 1.469 10 0 BDAERO CNC(=[NH2+])N[C@@H]1CCCC[C@@H]1SC ZINC000234347338 384066191 /nfs/dbraw/zinc/06/61/91/384066191.db2.gz TUKXKJWBEYBDSR-SFYZADRCSA-N 1 0 201.339 1.404 10 0 BDAERO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@H]2O)n1 ZINC000090738877 384073929 /nfs/dbraw/zinc/07/39/29/384073929.db2.gz VWHSKQXJYHEPRF-ZYHUDNBSSA-N 1 0 236.315 1.346 10 0 BDAERO C=Cn1cc(C[NH2+]C[C@@H](O)C(C)(C)C)cn1 ZINC000278924655 384137057 /nfs/dbraw/zinc/13/70/57/384137057.db2.gz VGZBMHZYNJKTNA-LLVKDONJSA-N 1 0 223.320 1.480 10 0 BDAERO CN(c1nc2ccccc2[nH]1)[C@@H]1CC[NH2+]C1 ZINC000070897177 384139753 /nfs/dbraw/zinc/13/97/53/384139753.db2.gz RREFERKQXKBOIY-SECBINFHSA-N 1 0 216.288 1.361 10 0 BDAERO CN(C)C[C@H]([NH3+])c1ccc(Cl)s1 ZINC000071509215 384168332 /nfs/dbraw/zinc/16/83/32/384168332.db2.gz GQGRNCXDBVLHAS-LURJTMIESA-N 1 0 204.726 1.963 10 0 BDAERO [NH3+][C@H]1CCCn2c(=O)c3ccc(Cl)cc3nc21 ZINC000072266479 384204300 /nfs/dbraw/zinc/20/43/00/384204300.db2.gz NRTLYTRELDJFEG-VIFPVBQESA-N 1 0 249.701 1.844 10 0 BDAERO C[NH2+][C@H](C)[C@@H](C)N1CCOC(C)(C)C1 ZINC000043897786 384188437 /nfs/dbraw/zinc/18/84/37/384188437.db2.gz HUJOXCAFYKPZTD-NXEZZACHSA-N 1 0 200.326 1.094 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCO[C@@H](CC)C1 ZINC000227905567 134399181 /nfs/dbraw/zinc/39/91/81/134399181.db2.gz ZKLNAVMCXRHBEE-OLZOCXBDSA-N 1 0 245.363 1.275 10 0 BDAERO CC(C)(O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000081676094 384196252 /nfs/dbraw/zinc/19/62/52/384196252.db2.gz DZJQQJLDAAMVMI-LLVKDONJSA-N 1 0 215.337 1.384 10 0 BDAERO CC(C)(O)CC[N@@H+]1CCC[C@H]1CCCO ZINC000081676097 384196521 /nfs/dbraw/zinc/19/65/21/384196521.db2.gz DZJQQJLDAAMVMI-NSHDSACASA-N 1 0 215.337 1.384 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000050394732 384199699 /nfs/dbraw/zinc/19/96/99/384199699.db2.gz PRTLPJVSPZCDRO-MRVPVSSYSA-N 1 0 244.747 1.770 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccncc1 ZINC000282318755 384233987 /nfs/dbraw/zinc/23/39/87/384233987.db2.gz KXIXLXQLZRGPRV-NHCYSSNCSA-N 1 0 233.315 1.399 10 0 BDAERO CCC[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082559323 384236068 /nfs/dbraw/zinc/23/60/68/384236068.db2.gz XEMFMIPKNCUKRQ-GARJFASQSA-N 1 0 212.337 1.489 10 0 BDAERO Cc1nc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cs1 ZINC000282281987 384211849 /nfs/dbraw/zinc/21/18/49/384211849.db2.gz IHJJZLHLDXBLDI-XCBNKYQSSA-N 1 0 239.344 1.208 10 0 BDAERO COC[C@]1(C(=O)NCC2(C)CCC2)CCC[NH2+]1 ZINC000643713081 384225698 /nfs/dbraw/zinc/22/56/98/384225698.db2.gz KHGGCEVRAFXMTE-ZDUSSCGKSA-N 1 0 240.347 1.061 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CO1 ZINC000401900913 384251127 /nfs/dbraw/zinc/25/11/27/384251127.db2.gz QJRNAQUTQZTCSV-WISYIIOYSA-N 1 0 213.321 1.305 10 0 BDAERO FC(F)(F)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000043298973 384268011 /nfs/dbraw/zinc/26/80/11/384268011.db2.gz NKMNOYDMGSWCJV-SSDOTTSWSA-N 1 0 219.210 1.826 10 0 BDAERO O[C@@H]1CCCC[C@@H]1CNCc1csnn1 ZINC000082990938 384272597 /nfs/dbraw/zinc/27/25/97/384272597.db2.gz YWSBEDDEANDHOS-PSASIEDQSA-N 1 0 227.333 1.179 10 0 BDAERO Cn1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000268636780 384317460 /nfs/dbraw/zinc/31/74/60/384317460.db2.gz QKAXLQLOYNBBCR-ZDUSSCGKSA-N 1 0 247.342 1.335 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cscn1 ZINC000282451070 384281895 /nfs/dbraw/zinc/28/18/95/384281895.db2.gz VAXFXPCZSSQSBA-HRDYMLBCSA-N 1 0 239.344 1.461 10 0 BDAERO Cc1cc(C)nc(N(C)CC2CC[NH2+]CC2)n1 ZINC000094043236 384286316 /nfs/dbraw/zinc/28/63/16/384286316.db2.gz AMKWYNYEJBGZLT-UHFFFAOYSA-N 1 0 234.347 1.529 10 0 BDAERO C[C@H](C[NH3+])CNc1ncnc2ccsc21 ZINC000083387632 384294682 /nfs/dbraw/zinc/29/46/82/384294682.db2.gz PELINNPPLOPCCM-SSDOTTSWSA-N 1 0 222.317 1.698 10 0 BDAERO CC[C@H](O)C[NH+]1CCN(CCCSC)CC1 ZINC000174081923 384300356 /nfs/dbraw/zinc/30/03/56/384300356.db2.gz AWPQQZQDYWUJNH-LBPRGKRZSA-N 1 0 246.420 1.128 10 0 BDAERO CCC[C@H](C(=O)Nc1ccccn1)[NH+](C)C ZINC000159098196 384300598 /nfs/dbraw/zinc/30/05/98/384300598.db2.gz RCPNQTVMAGYMPD-SNVBAGLBSA-N 1 0 221.304 1.750 10 0 BDAERO Clc1ccc(CNC[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069842 384335336 /nfs/dbraw/zinc/33/53/36/384335336.db2.gz LOYYVFWHNWBHFW-SECBINFHSA-N 1 0 240.738 1.219 10 0 BDAERO Clc1ccc(OCCC2CC[NH2+]CC2)nn1 ZINC000095069970 384335535 /nfs/dbraw/zinc/33/55/35/384335535.db2.gz ZOKBOXVUKOWEOE-UHFFFAOYSA-N 1 0 241.722 1.899 10 0 BDAERO CN(CC(=O)c1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000095070690 384336374 /nfs/dbraw/zinc/33/63/74/384336374.db2.gz ANGMLBXVIJFNHK-SNVBAGLBSA-N 1 0 222.288 1.146 10 0 BDAERO Clc1ccnc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000095070166 384336581 /nfs/dbraw/zinc/33/65/81/384336581.db2.gz VRGMWMVKKPVLMP-VIFPVBQESA-N 1 0 241.722 1.899 10 0 BDAERO Clc1nccnc1COC[C@@H]1CC[NH2+]C1 ZINC000095070389 384336652 /nfs/dbraw/zinc/33/66/52/384336652.db2.gz YVTSSRUNVCQKIQ-MRVPVSSYSA-N 1 0 227.695 1.256 10 0 BDAERO Clc1nccnc1CO[C@H]1CCC[NH2+]C1 ZINC000095070380 384336817 /nfs/dbraw/zinc/33/68/17/384336817.db2.gz LTECOYFBRKVLBO-QMMMGPOBSA-N 1 0 227.695 1.399 10 0 BDAERO Clc1nccc(COC[C@H]2CCCC[NH2+]2)n1 ZINC000095070309 384337164 /nfs/dbraw/zinc/33/71/64/384337164.db2.gz MPNUEDXRGPXLQH-SECBINFHSA-N 1 0 241.722 1.789 10 0 BDAERO Clc1ccnc(NC[C@H]2CC[NH2+]C2)n1 ZINC000095070154 384337413 /nfs/dbraw/zinc/33/74/13/384337413.db2.gz SVNJCDRCZCCTHW-ZETCQYMHSA-N 1 0 212.684 1.151 10 0 BDAERO Clc1cc(S[C@@H]2CC[NH2+]C2)ncn1 ZINC000095070444 384337419 /nfs/dbraw/zinc/33/74/19/384337419.db2.gz VEMRDILJFFEEQJ-ZCFIWIBFSA-N 1 0 215.709 1.584 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1ncc(Cl)cn1 ZINC000095071075 384338964 /nfs/dbraw/zinc/33/89/64/384338964.db2.gz KXNYHHLPCUJWBE-VIFPVBQESA-N 1 0 240.738 1.566 10 0 BDAERO Cc1ccnc(N(C)C[C@@H]2CCC[NH2+]C2)n1 ZINC000095071082 384339088 /nfs/dbraw/zinc/33/90/88/384339088.db2.gz NSNLQUAXOODLBX-LLVKDONJSA-N 1 0 220.320 1.221 10 0 BDAERO Cc1ccnc(N(C)C[C@@H]2CCCC[NH2+]2)c1 ZINC000095070800 384339311 /nfs/dbraw/zinc/33/93/11/384339311.db2.gz VVISJLYRBGQQGV-LBPRGKRZSA-N 1 0 219.332 1.968 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)C(=O)Cc1ccsc1 ZINC000095071189 384339352 /nfs/dbraw/zinc/33/93/52/384339352.db2.gz ILZZFVKIWVEQFR-NSHDSACASA-N 1 0 238.356 1.359 10 0 BDAERO Cc1cc(C)nc(N(C)C[C@H]2CCC[NH2+]2)n1 ZINC000095070917 384339521 /nfs/dbraw/zinc/33/95/21/384339521.db2.gz DQGXJMPHKNGSIZ-LLVKDONJSA-N 1 0 220.320 1.282 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095070806 384339605 /nfs/dbraw/zinc/33/96/05/384339605.db2.gz AHXHRTIIJRELBT-NSHDSACASA-N 1 0 205.305 1.660 10 0 BDAERO Cc1cnc(N(C)C[C@H]2CCC[NH2+]2)nc1Cl ZINC000095070927 384339611 /nfs/dbraw/zinc/33/96/11/384339611.db2.gz LQQOHEXQMDMNQJ-SECBINFHSA-N 1 0 240.738 1.627 10 0 BDAERO CN(CC(=O)c1ccco1)CC1CC[NH2+]CC1 ZINC000095071328 384340426 /nfs/dbraw/zinc/34/04/26/384340426.db2.gz STKUFPIZGIXRJZ-UHFFFAOYSA-N 1 0 236.315 1.394 10 0 BDAERO CSc1nccc(OC[C@@H]2CC[NH2+]C2)n1 ZINC000095071873 384340448 /nfs/dbraw/zinc/34/04/48/384340448.db2.gz GYIKEYKNCLMWNN-MRVPVSSYSA-N 1 0 225.317 1.187 10 0 BDAERO CN(CC1CC[NH2+]CC1)c1nc2cccnc2[nH]1 ZINC000095071325 384341042 /nfs/dbraw/zinc/34/10/42/384341042.db2.gz DOEFEYITTXLRHE-UHFFFAOYSA-N 1 0 245.330 1.394 10 0 BDAERO CSc1nccnc1CN[C@H]1CCC[NH2+]C1 ZINC000095071903 384341316 /nfs/dbraw/zinc/34/13/16/384341316.db2.gz 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224.329 1.189 10 0 BDAERO O=[S@@](C[C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000095073596 384348035 /nfs/dbraw/zinc/34/80/35/384348035.db2.gz HVDSABVYZODSCJ-MEBBXXQBSA-N 1 0 224.329 1.189 10 0 BDAERO O=[S@@](Cc1cccnc1)C[C@H]1CCC[NH2+]1 ZINC000095073575 384348367 /nfs/dbraw/zinc/34/83/67/384348367.db2.gz RNGWWCDJLVPGRV-IAQYHMDHSA-N 1 0 224.329 1.082 10 0 BDAERO CCC(CC)CNC(=O)C1([NH3+])CCOCC1 ZINC000159665648 384348598 /nfs/dbraw/zinc/34/85/98/384348598.db2.gz LGKHFTRJCFVNBI-UHFFFAOYSA-N 1 0 228.336 1.047 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(CO)cc2)C1 ZINC000335588983 384349409 /nfs/dbraw/zinc/34/94/09/384349409.db2.gz JCHCZGXQWWOQOM-FZMZJTMJSA-N 1 0 235.327 1.382 10 0 BDAERO O=[S@@](C[C@@H]1CC[NH2+]C1)c1nc2ccccc2[nH]1 ZINC000095073676 384350074 /nfs/dbraw/zinc/35/00/74/384350074.db2.gz VTSJQGDZZZBXKR-VVVCHXIZSA-N 1 0 249.339 1.280 10 0 BDAERO O=[S@](Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000095073728 384351039 /nfs/dbraw/zinc/35/10/39/384351039.db2.gz QPHVVMHYKWKHNX-MRXNPFEDSA-N 1 0 238.356 1.330 10 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BDAERO Cc1ccnc([S@@](=O)C[C@H]2CCCC[NH2+]2)n1 ZINC000095069282 384332632 /nfs/dbraw/zinc/33/26/32/384332632.db2.gz QUACHNMJSSWJJO-QLJPJBMISA-N 1 0 239.344 1.035 10 0 BDAERO C[C@@H]([NH2+]CC1CC(O)C1)c1nccs1 ZINC000084446021 384397837 /nfs/dbraw/zinc/39/78/37/384397837.db2.gz OMSBTPPPXASLHC-AFPNSQJFSA-N 1 0 212.318 1.565 10 0 BDAERO O=S(=O)(Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000095908542 384404735 /nfs/dbraw/zinc/40/47/35/384404735.db2.gz UPTFTABQMMUYOM-GFCCVEGCSA-N 1 0 239.340 1.353 10 0 BDAERO CCN1CCC[C@H]1C[N@H+](C)CCCCOC ZINC000175339316 384426920 /nfs/dbraw/zinc/42/69/20/384426920.db2.gz SDGZSNYRSUNBLB-ZDUSSCGKSA-N 1 0 228.380 1.829 10 0 BDAERO COC[C@H](C)[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033709 384425126 /nfs/dbraw/zinc/42/51/26/384425126.db2.gz PZVXKVSJOWJZFV-GKDVJIACSA-N 1 0 201.310 1.567 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ncnn1C ZINC000335607997 384386310 /nfs/dbraw/zinc/38/63/10/384386310.db2.gz WEDUEXWERSOLJC-BDAKNGLRSA-N 1 0 208.309 1.654 10 0 BDAERO Cn1cc(Cl)c(CN[C@H]2CCC[NH2+]CC2)n1 ZINC000335615169 384389658 /nfs/dbraw/zinc/38/96/58/384389658.db2.gz CLGMXLVYTWFOEK-VIFPVBQESA-N 1 0 242.754 1.305 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CC12CC2 ZINC000648179889 384448047 /nfs/dbraw/zinc/44/80/47/384448047.db2.gz JCQWYCGQJNZWFD-AEJSXWLSSA-N 1 0 208.305 1.030 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(Br)o1 ZINC000044198043 384450480 /nfs/dbraw/zinc/45/04/80/384450480.db2.gz GTLGXLREIQUXBH-YFKPBYRVSA-N 1 0 220.066 1.424 10 0 BDAERO CC(C)[C@H](C)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262788222 384443309 /nfs/dbraw/zinc/44/33/09/384443309.db2.gz CWSNZOADTXRBSK-IJLUTSLNSA-N 1 0 226.364 1.925 10 0 BDAERO CC[C@@H]1CN(c2ncc(Cl)cn2)CC[C@@H]1[NH3+] ZINC000168075131 384501778 /nfs/dbraw/zinc/50/17/78/384501778.db2.gz XGUUUWGEVZXCEJ-SCZZXKLOSA-N 1 0 240.738 1.694 10 0 BDAERO CC[C@@H](CO)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000011731045 384535838 /nfs/dbraw/zinc/53/58/38/384535838.db2.gz CXKYPOPBHFOITG-LBPRGKRZSA-N 1 0 206.289 1.355 10 0 BDAERO CS(=O)(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000054930077 384513625 /nfs/dbraw/zinc/51/36/25/384513625.db2.gz XTRUJWDPLTWSRF-DTWKUNHWSA-N 1 0 205.323 1.081 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H](CCO)COC ZINC000309702539 384544445 /nfs/dbraw/zinc/54/44/45/384544445.db2.gz NFEKQWPQKMMECI-UPJWGTAASA-N 1 0 229.364 1.942 10 0 BDAERO F[C@@H]1CCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000306359385 384546910 /nfs/dbraw/zinc/54/69/10/384546910.db2.gz CCCYQVWRRQHICP-MNOVXSKESA-N 1 0 201.285 1.893 10 0 BDAERO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCn1cncn1 ZINC000309718431 384549170 /nfs/dbraw/zinc/54/91/70/384549170.db2.gz ZSEMXHAOBBQNFR-WDEREUQCSA-N 1 0 222.336 1.692 10 0 BDAERO Cn1nccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085638419 384550183 /nfs/dbraw/zinc/55/01/83/384550183.db2.gz MLSGPUGQYWUCQH-SRVKXCTJSA-N 1 0 235.331 1.323 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2cn(C)nc2C)c1 ZINC000162042046 384562366 /nfs/dbraw/zinc/56/23/66/384562366.db2.gz PNOQZJPGHQXGRB-UHFFFAOYSA-N 1 0 233.319 1.023 10 0 BDAERO Cn1ccc(C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000085604194 384539739 /nfs/dbraw/zinc/53/97/39/384539739.db2.gz WILPFLRSXATDDU-NWDGAFQWSA-N 1 0 208.305 1.418 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCn3ncnc32)[C@@H]1C ZINC000309747781 384574764 /nfs/dbraw/zinc/57/47/64/384574764.db2.gz GBLKUPUFLMRUAQ-ZNSHCXBVSA-N 1 0 220.320 1.747 10 0 BDAERO CC(C)N1CCCN([C@H]2CCC[NH2+]C2)C1=O ZINC000257771713 384586477 /nfs/dbraw/zinc/58/64/77/384586477.db2.gz DASDTWPLCYZOSL-NSHDSACASA-N 1 0 225.336 1.275 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000309789448 384605767 /nfs/dbraw/zinc/60/57/67/384605767.db2.gz OXNGDRVSNHCQEV-JQWIXIFHSA-N 1 0 224.348 1.823 10 0 BDAERO CCOc1ccc(C(=O)CN2CC[C@H]([NH3+])C2)cc1 ZINC000050242441 384609689 /nfs/dbraw/zinc/60/96/89/384609689.db2.gz QUWHQIVMZACAPE-LBPRGKRZSA-N 1 0 248.326 1.301 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)OC)C1 ZINC000171605329 384613542 /nfs/dbraw/zinc/61/35/42/384613542.db2.gz LBPNRBXHGWBRLH-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO Cc1cnc(CN[C@H](C)[C@H]2CCCO2)nc1 ZINC000309794752 384614229 /nfs/dbraw/zinc/61/42/29/384614229.db2.gz PWTRUVVPCWWEOX-GHMZBOCLSA-N 1 0 221.304 1.442 10 0 BDAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cccnc1 ZINC000084447269 384621750 /nfs/dbraw/zinc/62/17/50/384621750.db2.gz DHFVGWZBBVSKCX-GRZMOONWSA-N 1 0 206.289 1.503 10 0 BDAERO CC(C)OCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000171497096 384592736 /nfs/dbraw/zinc/59/27/36/384592736.db2.gz PQSOXFZCLNSYDE-RYUDHWBXSA-N 1 0 215.337 1.911 10 0 BDAERO [NH3+]Cc1ccc(I)cn1 ZINC000098095815 384593065 /nfs/dbraw/zinc/59/30/65/384593065.db2.gz PEYFMTYKIYDKDL-UHFFFAOYSA-N 1 0 234.040 1.145 10 0 BDAERO CC[C@H]([NH2+]CCn1cc(C)cn1)c1cnn(C)c1 ZINC000123933083 384597411 /nfs/dbraw/zinc/59/74/11/384597411.db2.gz VJGZGCZUNHWUCC-ZDUSSCGKSA-N 1 0 247.346 1.666 10 0 BDAERO CC[C@@H]([NH2+]CCn1cc(C)cn1)c1cnn(C)c1 ZINC000123933270 384598078 /nfs/dbraw/zinc/59/80/78/384598078.db2.gz VJGZGCZUNHWUCC-CYBMUJFWSA-N 1 0 247.346 1.666 10 0 BDAERO CC(=O)[C@H]1[C@H](c2ccccc2)[NH2+]CCN1C ZINC000098181194 384602401 /nfs/dbraw/zinc/60/24/01/384602401.db2.gz QTDQWURQPARVOC-STQMWFEESA-N 1 0 218.300 1.220 10 0 BDAERO CO[C@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000356432766 384641270 /nfs/dbraw/zinc/64/12/70/384641270.db2.gz XETINZWVOOCJGC-ZIAGYGMSSA-N 1 0 238.375 1.582 10 0 BDAERO CCn1nccc1C[NH2+][C@H]1CCCCC[C@@H]1O ZINC000160198973 384658055 /nfs/dbraw/zinc/65/80/55/384658055.db2.gz HLXQTNFFLWWKKP-STQMWFEESA-N 1 0 237.347 1.686 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2cccs2)C1 ZINC000082283218 384659110 /nfs/dbraw/zinc/65/91/10/384659110.db2.gz ZMYWVCFBAQBCRZ-SNVBAGLBSA-N 1 0 238.356 1.453 10 0 BDAERO c1ccc2oc(OC[C@@H]3CCC[NH2+]3)nc2c1 ZINC000051866438 384696969 /nfs/dbraw/zinc/69/69/69/384696969.db2.gz JXPOOMDQHOCCJO-VIFPVBQESA-N 1 0 218.256 1.959 10 0 BDAERO Cc1cc(C)nc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000051883016 384697379 /nfs/dbraw/zinc/69/73/79/384697379.db2.gz XYRWSBCCMNLBIA-NSHDSACASA-N 1 0 221.304 1.472 10 0 BDAERO CC[C@@H](C)CN(CC)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643728029 384703987 /nfs/dbraw/zinc/70/39/87/384703987.db2.gz WTVUNQADNROJBL-NEPJUHHUSA-N 1 0 242.363 1.117 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000309910453 384705384 /nfs/dbraw/zinc/70/53/84/384705384.db2.gz MKRXGKJUOFFYLS-IRCOFANPSA-N 1 0 227.348 1.551 10 0 BDAERO FC(F)(Br)C1=CC=[NH+]CCN1 ZINC000238546468 384707708 /nfs/dbraw/zinc/70/77/08/384707708.db2.gz IPUCTGVSOAFIDZ-UHFFFAOYSA-N 1 0 225.036 1.532 10 0 BDAERO CN(CCOCC[NH3+])c1ccc(Cl)cn1 ZINC000300935882 384722810 /nfs/dbraw/zinc/72/28/10/384722810.db2.gz COASNWCCWYTNOB-UHFFFAOYSA-N 1 0 229.711 1.147 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000052272719 384728581 /nfs/dbraw/zinc/72/85/81/384728581.db2.gz HZDXESCZTXDYKM-GXFFZTMASA-N 1 0 228.299 1.765 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000043298394 384732684 /nfs/dbraw/zinc/73/26/84/384732684.db2.gz BCWVNFLLINRDSC-PHDIDXHHSA-N 1 0 207.199 1.810 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1 ZINC000087044432 384736935 /nfs/dbraw/zinc/73/69/35/384736935.db2.gz HTUNYZPQHUVNFC-JGVFFNPUSA-N 1 0 209.249 1.126 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCc2ccccn2)C1 ZINC000334827475 384741310 /nfs/dbraw/zinc/74/13/10/384741310.db2.gz QOYOPHFWIWQWIG-DGCLKSJQSA-N 1 0 220.316 1.327 10 0 BDAERO CN(C)[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000158440532 384742946 /nfs/dbraw/zinc/74/29/46/384742946.db2.gz XABSVIUTSOLKCC-KGLIPLIRSA-N 1 0 240.391 1.564 10 0 BDAERO Cc1cnc(NC[C@H]2CC[NH2+]C2)nc1C ZINC000107201558 384779752 /nfs/dbraw/zinc/77/97/52/384779752.db2.gz CREIAHQSWCEMCX-JTQLQIEISA-N 1 0 206.293 1.115 10 0 BDAERO CCSCC[N@@H+]1CCC[C@H]1CCCO ZINC000126259030 384752759 /nfs/dbraw/zinc/75/27/59/384752759.db2.gz NBTGYOJANFQXSO-NSHDSACASA-N 1 0 217.378 1.976 10 0 BDAERO CCN1CC[C@@H]([NH2+]CCCc2cnn(C)c2)C1 ZINC000314078733 384780138 /nfs/dbraw/zinc/78/01/38/384780138.db2.gz DCUMXJXKBXHRMV-CYBMUJFWSA-N 1 0 236.363 1.037 10 0 BDAERO [NH3+][C@H](CO)c1cccc(F)c1C(F)(F)F ZINC000072198455 384815439 /nfs/dbraw/zinc/81/54/39/384815439.db2.gz ICKDGVNAOCPMAJ-SSDOTTSWSA-N 1 0 223.169 1.837 10 0 BDAERO COC[C@]1(C(=O)N[C@@H]2CCC[C@H]2C)CCC[NH2+]1 ZINC000643684343 384787999 /nfs/dbraw/zinc/78/79/99/384787999.db2.gz MGKMHSUMPBSKPD-WZRBSPASSA-N 1 0 240.347 1.060 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1c(C)cccc1C ZINC000048775805 384792062 /nfs/dbraw/zinc/79/20/62/384792062.db2.gz YEWCTYPQXHOWMD-SNVBAGLBSA-N 1 0 206.289 1.850 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(C)(C)C ZINC000310014976 384797584 /nfs/dbraw/zinc/79/75/84/384797584.db2.gz KMELQKWLYPIMJI-VXGBXAGGSA-N 1 0 228.380 1.731 10 0 BDAERO CCCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000310039559 384809157 /nfs/dbraw/zinc/80/91/57/384809157.db2.gz XBWKKKZAWYIDGX-DGCLKSJQSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)CC(F)F ZINC000648194219 384811410 /nfs/dbraw/zinc/81/14/10/384811410.db2.gz WLDYFURVWFTLFK-YIZRAAEISA-N 1 0 234.290 1.521 10 0 BDAERO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)CC(F)F ZINC000648193858 384812423 /nfs/dbraw/zinc/81/24/23/384812423.db2.gz MOGGMKUHGIKSRR-IWSPIJDZSA-N 1 0 234.290 1.249 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCOC2(CCC2)C1 ZINC000236906104 384813822 /nfs/dbraw/zinc/81/38/22/384813822.db2.gz WYEBIRQBGAQKIU-MNOVXSKESA-N 1 0 240.347 1.141 10 0 BDAERO c1cnn(CC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000105886784 384814563 /nfs/dbraw/zinc/81/45/63/384814563.db2.gz MXOHTLJUINJHLZ-CQSZACIVSA-N 1 0 249.358 1.774 10 0 BDAERO [NH3+][C@@H](CO)c1cc(O)ccc1Br ZINC000072198715 384815072 /nfs/dbraw/zinc/81/50/72/384815072.db2.gz GUMTZRZYCSEZBF-QMMMGPOBSA-N 1 0 232.077 1.147 10 0 BDAERO CC(C)n1cc(C[NH2+][C@H]2CCO[C@@H]2C)cn1 ZINC000127313876 384881458 /nfs/dbraw/zinc/88/14/58/384881458.db2.gz YJZQCRFDRRXRMI-PWSUYJOCSA-N 1 0 223.320 1.731 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CCc2ccccc2)C1 ZINC000310189619 384887393 /nfs/dbraw/zinc/88/73/93/384887393.db2.gz YKNHINBJWHVUDD-KGLIPLIRSA-N 1 0 235.327 1.311 10 0 BDAERO OCC[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000312899515 384868757 /nfs/dbraw/zinc/86/87/57/384868757.db2.gz XDIBJUVMTVXGNG-SNVBAGLBSA-N 1 0 243.738 1.241 10 0 BDAERO Cc1ccc2c(c1)[C@]1(CC[NH2+]C1)C(=O)N2 ZINC000107144456 384952846 /nfs/dbraw/zinc/95/28/46/384952846.db2.gz QCXNYXKDFAALTM-GFCCVEGCSA-N 1 0 202.257 1.178 10 0 BDAERO FC(F)(F)c1ccnc(O[C@@H]2CC[NH2+]C2)c1 ZINC000085486275 384954368 /nfs/dbraw/zinc/95/43/68/384954368.db2.gz UYQXIQFXIDPXMZ-MRVPVSSYSA-N 1 0 232.205 1.841 10 0 BDAERO C[C@@H]1CCCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643693439 384899246 /nfs/dbraw/zinc/89/92/46/384899246.db2.gz MZOREJOWTCZKAF-NEPJUHHUSA-N 1 0 240.347 1.014 10 0 BDAERO CC(C)OCC[NH+]1CCC(n2cncn2)CC1 ZINC000156600213 384902510 /nfs/dbraw/zinc/90/25/10/384902510.db2.gz XFKUKQAJWWYDFI-UHFFFAOYSA-N 1 0 238.335 1.340 10 0 BDAERO CC[N@H+](CCNC(=O)N[C@@H](C)C(C)C)C1CC1 ZINC000101974198 384903313 /nfs/dbraw/zinc/90/33/13/384903313.db2.gz VDDRBHIVMJXTLP-NSHDSACASA-N 1 0 241.379 1.814 10 0 BDAERO CCCc1nnc(NC2CC[NH+](C)CC2)s1 ZINC000301747387 384917890 /nfs/dbraw/zinc/91/78/90/384917890.db2.gz ZEUBNEYSHHUQAN-UHFFFAOYSA-N 1 0 240.376 1.997 10 0 BDAERO O=c1cc(-c2ccccc2)c2c([nH]1)CC[NH2+]C2 ZINC000085224008 384928271 /nfs/dbraw/zinc/92/82/71/384928271.db2.gz FXYQKTCAKXDLEI-UHFFFAOYSA-N 1 0 226.279 1.688 10 0 BDAERO CC(=O)CCN1CCc2c(nc(C(C)C)n2C)C1 ZINC000106861134 384934961 /nfs/dbraw/zinc/93/49/61/384934961.db2.gz YWPXTQFNWDUWIH-UHFFFAOYSA-N 1 0 249.358 1.881 10 0 BDAERO CSCCC[N@@H+]1CCC[C@@H]1CCCO ZINC000128346024 384942242 /nfs/dbraw/zinc/94/22/42/384942242.db2.gz FKZICMNJAWKNNS-LLVKDONJSA-N 1 0 217.378 1.976 10 0 BDAERO COC(C)(C)CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000404352352 384979179 /nfs/dbraw/zinc/97/91/79/384979179.db2.gz FELPMYBFXBJKFA-SNVBAGLBSA-N 1 0 230.352 1.243 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000404427519 384990373 /nfs/dbraw/zinc/99/03/73/384990373.db2.gz IZOKTJUESPDGNI-DTWKUNHWSA-N 1 0 212.318 1.536 10 0 BDAERO Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)[NH3+])o1 ZINC000262712774 384990745 /nfs/dbraw/zinc/99/07/45/384990745.db2.gz RWOKDVLHTPIMET-ZJUUUORDSA-N 1 0 222.288 1.599 10 0 BDAERO CSCCC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000300854199 384994996 /nfs/dbraw/zinc/99/49/96/384994996.db2.gz OEULYBGFEPBYFH-ZJUUUORDSA-N 1 0 203.351 1.585 10 0 BDAERO c1ccc(N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000059843496 385058645 /nfs/dbraw/zinc/05/86/45/385058645.db2.gz BASAWAYVHDWRGU-AWEZNQCLSA-N 1 0 231.343 1.171 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CC[C@@H](C)F ZINC000644654550 385061328 /nfs/dbraw/zinc/06/13/28/385061328.db2.gz YIAOOOCSQOWAFL-MNOVXSKESA-N 1 0 221.316 1.502 10 0 BDAERO C[C@@H](CCCC[NH3+])Nc1ncnc2nc[nH]c21 ZINC000310441523 385062139 /nfs/dbraw/zinc/06/21/39/385062139.db2.gz SNXKCPYOXKXDMH-QMMMGPOBSA-N 1 0 234.307 1.282 10 0 BDAERO Cc1c(CN[C@@H](C)CC[NH+](C)C)cnn1C ZINC000086552019 385027009 /nfs/dbraw/zinc/02/70/09/385027009.db2.gz BZIOVEJQBLXTKQ-JTQLQIEISA-N 1 0 224.352 1.158 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000151599850 385120662 /nfs/dbraw/zinc/12/06/62/385120662.db2.gz JVJQNIUTDYVHJO-LLVKDONJSA-N 1 0 208.305 1.115 10 0 BDAERO CC(C)[C@H](C)CNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000081060304 385130604 /nfs/dbraw/zinc/13/06/04/385130604.db2.gz OGYIIPLHRUFOAT-MXWKQRLJSA-N 1 0 212.337 1.250 10 0 BDAERO Cc1cc(-c2ccc(F)cc2)nc(NN)[nH+]1 ZINC000062203191 385090598 /nfs/dbraw/zinc/09/05/98/385090598.db2.gz QTKVROOTMVEDBL-UHFFFAOYSA-N 1 0 218.235 1.877 10 0 BDAERO Cc1nnc(-c2cccc(NC(=O)[C@@H](C)[NH3+])c2)o1 ZINC000157361736 385150006 /nfs/dbraw/zinc/15/00/06/385150006.db2.gz CFPGLQNDDRGYOW-SSDOTTSWSA-N 1 0 246.270 1.331 10 0 BDAERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(N(C)C)cc1 ZINC000310741542 385157581 /nfs/dbraw/zinc/15/75/81/385157581.db2.gz GCUGSJNGBCTHAO-GWCFXTLKSA-N 1 0 247.342 1.314 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(N(C)C)cc1 ZINC000310741544 385159525 /nfs/dbraw/zinc/15/95/25/385159525.db2.gz GCUGSJNGBCTHAO-GXFFZTMASA-N 1 0 247.342 1.314 10 0 BDAERO CCCC[N@H+](CCO)C[C@@H](O)C(C)(C)C ZINC000308801480 385174975 /nfs/dbraw/zinc/17/49/75/385174975.db2.gz MSUJEQLBQRESLM-LLVKDONJSA-N 1 0 217.353 1.488 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCCCF)C1 ZINC000308813083 385181118 /nfs/dbraw/zinc/18/11/18/385181118.db2.gz DFSRWCZQXFCMOH-QWRGUYRKSA-N 1 0 219.300 1.208 10 0 BDAERO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308851592 385224322 /nfs/dbraw/zinc/22/43/22/385224322.db2.gz ONYYKOAZTLSOMO-OPRDCNLKSA-N 1 0 216.300 1.368 10 0 BDAERO O=C1CC[C@H]([NH2+]C/C=C/Cl)[C@H](C2CC2)N1 ZINC000308867613 385224758 /nfs/dbraw/zinc/22/47/58/385224758.db2.gz GWCCDKRQTIPMIO-CNKMQMANSA-N 1 0 228.723 1.386 10 0 BDAERO CC(C)c1ccccc1-n1cc(C[NH3+])nn1 ZINC000050224107 385312020 /nfs/dbraw/zinc/31/20/20/385312020.db2.gz ZVBJMBHLYMYONT-UHFFFAOYSA-N 1 0 216.288 1.849 10 0 BDAERO [NH3+][C@H]1CCN(CC(=O)c2ccc(Cl)cc2)C1 ZINC000050242389 385314231 /nfs/dbraw/zinc/31/42/31/385314231.db2.gz SQIUNBQQEBYPGR-NSHDSACASA-N 1 0 238.718 1.556 10 0 BDAERO Cc1nn(CC(F)(F)F)cc1CC[NH3+] ZINC000575602196 385263386 /nfs/dbraw/zinc/26/33/86/385263386.db2.gz KFJWBGGHMIZTAL-UHFFFAOYSA-N 1 0 207.199 1.255 10 0 BDAERO [NH3+]C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)CC[C@@H]12 ZINC000575601958 385265674 /nfs/dbraw/zinc/26/56/74/385265674.db2.gz JEFRPPRJBCCCNO-LURQLKTLSA-N 1 0 223.238 1.939 10 0 BDAERO C[NH2+]CCCc1cncnc1C(F)(F)F ZINC000575434090 385266126 /nfs/dbraw/zinc/26/61/26/385266126.db2.gz JEPZFDZEYOYXHU-UHFFFAOYSA-N 1 0 219.210 1.647 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000308927824 385289675 /nfs/dbraw/zinc/28/96/75/385289675.db2.gz QKQZMWGGWDMNJM-SDDRHHMPSA-N 1 0 207.321 1.826 10 0 BDAERO C[C@@H](O)CCC[N@@H+]1CCC[C@@H]1CCCO ZINC000308918995 385292237 /nfs/dbraw/zinc/29/22/37/385292237.db2.gz OLPIIHZVHZQEJG-VXGBXAGGSA-N 1 0 215.337 1.384 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2c(C)cccc2C)C1 ZINC000344753852 385292774 /nfs/dbraw/zinc/29/27/74/385292774.db2.gz WGVACUNDDDSMKN-KGLIPLIRSA-N 1 0 249.354 1.885 10 0 BDAERO [NH3+][C@@H](CO)c1cc(F)cc(Br)c1 ZINC000072198747 385301032 /nfs/dbraw/zinc/30/10/32/385301032.db2.gz IFFYQONBWGTGIG-QMMMGPOBSA-N 1 0 234.068 1.580 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000409430991 385329610 /nfs/dbraw/zinc/32/96/10/385329610.db2.gz YBYURUFTPQWKQB-ZYHUDNBSSA-N 1 0 233.315 1.482 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CCCCO1 ZINC000308978593 385329865 /nfs/dbraw/zinc/32/98/65/385329865.db2.gz HIPQGSDGAWQPRK-QCNOEVLYSA-N 1 0 213.321 1.711 10 0 BDAERO CCn1nccc1-c1ncc(C[NH3+])s1 ZINC000164931318 385331733 /nfs/dbraw/zinc/33/17/33/385331733.db2.gz YGUPOUUUUPAVGT-UHFFFAOYSA-N 1 0 208.290 1.485 10 0 BDAERO Cc1ccc(O)c(CN2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000131462191 385337283 /nfs/dbraw/zinc/33/72/83/385337283.db2.gz CMXQJJNMQROHPL-GXFFZTMASA-N 1 0 249.358 1.478 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307943428 385352618 /nfs/dbraw/zinc/35/26/18/385352618.db2.gz FPDVTTNXKMRAQX-FXQIFTODSA-N 1 0 227.226 1.067 10 0 BDAERO CC[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000309000943 385363398 /nfs/dbraw/zinc/36/33/98/385363398.db2.gz ROPCDBSAXFZDDM-VXGBXAGGSA-N 1 0 212.337 1.191 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCC1 ZINC000161578453 385366505 /nfs/dbraw/zinc/36/65/05/385366505.db2.gz RNMXOHANXRVQFY-CMPLNLGQSA-N 1 0 212.337 1.095 10 0 BDAERO COc1c(C[NH2+]CCOC(C)C)c(C)nn1C ZINC000168946559 385394050 /nfs/dbraw/zinc/39/40/50/385394050.db2.gz GPSISHCOYPHQCB-UHFFFAOYSA-N 1 0 241.335 1.252 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+][C@@H]1CCSC1)C2 ZINC000309087128 385410840 /nfs/dbraw/zinc/41/08/40/385410840.db2.gz ZBOXERQSEZEMFF-NXEZZACHSA-N 1 0 223.345 1.293 10 0 BDAERO CC1CC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C1 ZINC000644063343 385411361 /nfs/dbraw/zinc/41/13/61/385411361.db2.gz QHBQIIQCYDWSCY-RUJICJSRSA-N 1 0 224.348 1.618 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+][C@H]1CCSC1)C2 ZINC000309087131 385411965 /nfs/dbraw/zinc/41/19/65/385411965.db2.gz ZBOXERQSEZEMFF-ZJUUUORDSA-N 1 0 223.345 1.293 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(C)(C)C ZINC000114474922 385415971 /nfs/dbraw/zinc/41/59/71/385415971.db2.gz ATKVGAFFPCCHNV-QWRGUYRKSA-N 1 0 214.353 1.341 10 0 BDAERO C=Cn1cc(C[N@@H+]2CCS[C@@H](C)C2)cn1 ZINC000193873802 385416863 /nfs/dbraw/zinc/41/68/63/385416863.db2.gz UNYBTQPPZQQOHA-JTQLQIEISA-N 1 0 223.345 1.921 10 0 BDAERO c1cn([C@H](c2ccccc2)C2C[NH2+]C2)nn1 ZINC000169726616 385418236 /nfs/dbraw/zinc/41/82/36/385418236.db2.gz UMXZMJIXZSTZGH-GFCCVEGCSA-N 1 0 214.272 1.087 10 0 BDAERO COC(=O)[C@H](N)[C@H](C)Sc1ccccn1 ZINC000169726770 385418800 /nfs/dbraw/zinc/41/88/00/385418800.db2.gz OKSQTGRVKYZMNK-IONNQARKSA-N 1 0 226.301 1.063 10 0 BDAERO COC(=O)[C@H](N)[C@H](C)Oc1ccc(F)cc1 ZINC000169726788 385419159 /nfs/dbraw/zinc/41/91/59/385419159.db2.gz SMFUZPGUYKRTRK-OIBJUYFYSA-N 1 0 227.235 1.093 10 0 BDAERO COC(=O)[C@H](N)[C@@H](C)Sc1ccc(F)cc1 ZINC000169726747 385419247 /nfs/dbraw/zinc/41/92/47/385419247.db2.gz KPDQXUKODDSXQM-GMSGAONNSA-N 1 0 243.303 1.807 10 0 BDAERO [NH3+]CCc1nnc(-c2ccc(Cl)s2)o1 ZINC000051173451 385445222 /nfs/dbraw/zinc/44/52/22/385445222.db2.gz VUCZKLVHRVYIIV-UHFFFAOYSA-N 1 0 229.692 1.953 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2ccoc2)C1 ZINC000170834146 385450023 /nfs/dbraw/zinc/45/00/23/385450023.db2.gz PFHFCELGWDRRRB-NSHDSACASA-N 1 0 237.303 1.125 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccncc2)C1 ZINC000170874642 385452562 /nfs/dbraw/zinc/45/25/62/385452562.db2.gz OVRVMVBTVGDAOB-NSHDSACASA-N 1 0 234.303 1.249 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000378665145 385458226 /nfs/dbraw/zinc/45/82/26/385458226.db2.gz FPDVTTNXKMRAQX-GJMOJQLCSA-N 1 0 227.226 1.067 10 0 BDAERO CC[C@H]1C[N@H+](C[C@@H](C)OC)CCN1CCOC ZINC000182138244 385432331 /nfs/dbraw/zinc/43/23/31/385432331.db2.gz ILMVYOWJVCDACF-OLZOCXBDSA-N 1 0 244.379 1.064 10 0 BDAERO C[N@H+](CC1CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000156141201 385437856 /nfs/dbraw/zinc/43/78/56/385437856.db2.gz UZTSXTCQRNUJOL-CYBMUJFWSA-N 1 0 246.358 1.787 10 0 BDAERO CC(C)n1cc(C[NH2+][C@H]2CCO[C@@H]2C)nn1 ZINC000309201298 385475357 /nfs/dbraw/zinc/47/53/57/385475357.db2.gz LLFPOZAIEAVNMJ-KOLCDFICSA-N 1 0 224.308 1.126 10 0 BDAERO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000644110373 385486099 /nfs/dbraw/zinc/48/60/99/385486099.db2.gz IFQDNJKSNHVJAC-SNVBAGLBSA-N 1 0 238.356 1.704 10 0 BDAERO CC[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)OC ZINC000378673359 385460776 /nfs/dbraw/zinc/46/07/76/385460776.db2.gz MILGOWLVNLQKJI-YFKTTZPYSA-N 1 0 227.348 1.815 10 0 BDAERO CCCC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000309225398 385490882 /nfs/dbraw/zinc/49/08/82/385490882.db2.gz VXFXIRUXBHKDGN-JQWIXIFHSA-N 1 0 210.321 1.433 10 0 BDAERO CCOc1nccnc1NCC[NH2+]C1CC1 ZINC000643002328 385499313 /nfs/dbraw/zinc/49/93/13/385499313.db2.gz YJFTUNXKJLRPIM-UHFFFAOYSA-N 1 0 222.292 1.039 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2cocn2)C[C@H](C)O1 ZINC000282085425 385500559 /nfs/dbraw/zinc/50/05/59/385500559.db2.gz CEWXKHUXMLANBD-UWVGGRQHSA-N 1 0 224.304 1.968 10 0 BDAERO Cl/C=C/C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171635535 385503422 /nfs/dbraw/zinc/50/34/22/385503422.db2.gz FREMQFNVLQLXIV-XCRNYIDWSA-N 1 0 226.711 1.668 10 0 BDAERO CCc1nnc(C[NH2+][C@H](C)[C@@H](C)CC)n1C ZINC000183047845 385504161 /nfs/dbraw/zinc/50/41/61/385504161.db2.gz KXYVZRJWYOBBFS-VHSXEESVSA-N 1 0 224.352 1.902 10 0 BDAERO CN(C)C[C@@H]1C[N@H+](C[Si](C)(C)C)CCO1 ZINC000171746718 385513567 /nfs/dbraw/zinc/51/35/67/385513567.db2.gz CFJKABLSXUFDKH-LLVKDONJSA-N 1 0 230.428 1.126 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Cl)cn1 ZINC000309310575 385528855 /nfs/dbraw/zinc/52/88/55/385528855.db2.gz OCADQUDZNVPDHW-APPZFPTMSA-N 1 0 239.706 1.297 10 0 BDAERO N[C@H](CC[NH3+])c1cc(Br)cs1 ZINC000259516733 385533388 /nfs/dbraw/zinc/53/33/88/385533388.db2.gz VOCLOWJHLBMMJJ-ZCFIWIBFSA-N 1 0 235.150 1.859 10 0 BDAERO c1cnc2ccc([C@H]3C[NH2+]CCO3)cc2c1 ZINC000258096825 385537178 /nfs/dbraw/zinc/53/71/78/385537178.db2.gz QOPCRUQDNZWCMS-CYBMUJFWSA-N 1 0 214.268 1.896 10 0 BDAERO [NH3+]Cc1csc([C@H]2CCSC2)n1 ZINC000258141946 385542862 /nfs/dbraw/zinc/54/28/62/385542862.db2.gz RCPOGLQJZLCCRU-LURJTMIESA-N 1 0 200.332 1.822 10 0 BDAERO CC(C)c1noc(N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000643041442 385544828 /nfs/dbraw/zinc/54/48/28/385544828.db2.gz YRRZOXYBNDOLEO-HTQZYQBOSA-N 1 0 210.281 1.119 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)cn1 ZINC000309310578 385528431 /nfs/dbraw/zinc/52/84/31/385528431.db2.gz OCADQUDZNVPDHW-VXNVDRBHSA-N 1 0 239.706 1.297 10 0 BDAERO Cc1nocc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000295326046 385553904 /nfs/dbraw/zinc/55/39/04/385553904.db2.gz LOOPLAQDXQHTQM-GFCCVEGCSA-N 1 0 221.304 1.263 10 0 BDAERO Cc1cnc(NC[C@@H]2CCC[NH2+]C2)s1 ZINC000107213383 385556879 /nfs/dbraw/zinc/55/68/79/385556879.db2.gz MUIURFPCRMAEJN-SECBINFHSA-N 1 0 211.334 1.863 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1OC ZINC000054076656 385594517 /nfs/dbraw/zinc/59/45/17/385594517.db2.gz IIWOQOGNMLVYQG-SSDOTTSWSA-N 1 0 226.251 1.381 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)C1CCCCC1 ZINC000054076992 385595076 /nfs/dbraw/zinc/59/50/76/385595076.db2.gz PKVFORHFSIUDTB-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037166223 385597092 /nfs/dbraw/zinc/59/70/92/385597092.db2.gz IDZMJIRUOYXYMX-QWRGUYRKSA-N 1 0 209.293 1.111 10 0 BDAERO CC[C@H]([NH2+][C@H](C)C(=O)NCCF)C(C)(C)C ZINC000309467851 385597544 /nfs/dbraw/zinc/59/75/44/385597544.db2.gz PXRXQWZXGQETOR-ZJUUUORDSA-N 1 0 232.343 1.875 10 0 BDAERO COC(=O)[C@H]1CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000250362518 385600352 /nfs/dbraw/zinc/60/03/52/385600352.db2.gz GCXVQOUPJZQXAX-TZMCWYRMSA-N 1 0 245.322 1.964 10 0 BDAERO CC[C@H](C[N@@H+]1CCN2CCCC[C@H]2C1)OC ZINC000309419164 385578808 /nfs/dbraw/zinc/57/88/08/385578808.db2.gz XTAIOJPWFFKEDD-QWHCGFSZSA-N 1 0 226.364 1.582 10 0 BDAERO Cc1nscc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000181930071 385622529 /nfs/dbraw/zinc/62/25/29/385622529.db2.gz NFSIPQOTBDDGCX-VIFPVBQESA-N 1 0 239.344 1.228 10 0 BDAERO CO[C@@H](C)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000182127441 385636070 /nfs/dbraw/zinc/63/60/70/385636070.db2.gz RAZSJIVKMWSTPQ-CMPLNLGQSA-N 1 0 223.320 1.592 10 0 BDAERO C[C@H](CCO)[NH2+]C1CC(c2ccccn2)C1 ZINC000309503224 385639818 /nfs/dbraw/zinc/63/98/18/385639818.db2.gz BKLCKGOJCMJULC-VOMCLLRMSA-N 1 0 220.316 1.688 10 0 BDAERO [NH3+]C1([C@H](O)c2ccc(Cl)s2)CC1 ZINC000259105133 385645001 /nfs/dbraw/zinc/64/50/01/385645001.db2.gz KCAUZQUEOUQUID-SSDOTTSWSA-N 1 0 203.694 1.926 10 0 BDAERO C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCCSC1 ZINC000307028909 385648904 /nfs/dbraw/zinc/64/89/04/385648904.db2.gz BPFRSWJQHDPSAG-VHSXEESVSA-N 1 0 200.351 1.081 10 0 BDAERO C(N[C@@H]1CC[NH2+]C1)[C@H]1CCCSC1 ZINC000307028384 385649613 /nfs/dbraw/zinc/64/96/13/385649613.db2.gz BPFRSWJQHDPSAG-NXEZZACHSA-N 1 0 200.351 1.081 10 0 BDAERO CCOCCn1c(C[NH3+])nc2ccccc21 ZINC000040163806 385681217 /nfs/dbraw/zinc/68/12/17/385681217.db2.gz ZUUAMRZZXPMNHO-UHFFFAOYSA-N 1 0 219.288 1.532 10 0 BDAERO CN(C)[C@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616594246 385706777 /nfs/dbraw/zinc/70/67/77/385706777.db2.gz DMUKXPVNWBLTRI-SNVBAGLBSA-N 1 0 200.326 1.395 10 0 BDAERO CSC[C@H](O)C[NH2+][C@H](C)c1csc(C)n1 ZINC000336736671 385743599 /nfs/dbraw/zinc/74/35/99/385743599.db2.gz POGILUKCPHLKKD-VXNVDRBHSA-N 1 0 246.401 1.826 10 0 BDAERO COC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)OC ZINC000309681670 385786547 /nfs/dbraw/zinc/78/65/47/385786547.db2.gz ZPVXLHWBCLHVAT-GRYCIOLGSA-N 1 0 233.327 1.766 10 0 BDAERO COC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309682548 385787018 /nfs/dbraw/zinc/78/70/18/385787018.db2.gz ZVRMBODFHBKLCY-QJPTWQEYSA-N 1 0 233.327 1.502 10 0 BDAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]CC1(C)COC1 ZINC000309662794 385774778 /nfs/dbraw/zinc/77/47/78/385774778.db2.gz GNXHSDHTZAKWMW-NWDGAFQWSA-N 1 0 227.348 1.674 10 0 BDAERO CC[C@@H](C[NH2+]Cc1c(C)nn(C)c1OC)OC ZINC000289919812 385724262 /nfs/dbraw/zinc/72/42/62/385724262.db2.gz VIOVUKBSWBWBAU-JTQLQIEISA-N 1 0 241.335 1.252 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](CC(=O)c2ccsn2)C1 ZINC000306812553 385805348 /nfs/dbraw/zinc/80/53/48/385805348.db2.gz ZMBMZBJLIYRMOD-HTQZYQBOSA-N 1 0 210.302 1.843 10 0 BDAERO CC(C)[C@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263295996 385809881 /nfs/dbraw/zinc/80/98/81/385809881.db2.gz WHDKIAYBNYPHSA-VHSXEESVSA-N 1 0 238.335 1.405 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000186937643 385818839 /nfs/dbraw/zinc/81/88/39/385818839.db2.gz COKOHEZWRLTNGY-WDEREUQCSA-N 1 0 247.404 1.834 10 0 BDAERO COc1ccc(Br)cc1C(N)=[NH2+] ZINC000036894230 385823058 /nfs/dbraw/zinc/82/30/58/385823058.db2.gz IKUQTZCCTIUKGQ-UHFFFAOYSA-N 1 0 229.077 1.742 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1C ZINC000215990300 385855102 /nfs/dbraw/zinc/85/51/02/385855102.db2.gz BKLKSUIVDTXUPT-CHWSQXEVSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@H]1c1cccc(C)c1 ZINC000215984783 385855478 /nfs/dbraw/zinc/85/54/78/385855478.db2.gz BKAICSKZBUTLMM-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO CSCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000122148333 385889131 /nfs/dbraw/zinc/88/91/31/385889131.db2.gz AJGKJQBMVDCTPO-NEPJUHHUSA-N 1 0 229.389 1.976 10 0 BDAERO CNC(=[NH2+])N(C)[C@@H]1CC[C@@H](C)SC1 ZINC000575534339 385895284 /nfs/dbraw/zinc/89/52/84/385895284.db2.gz IVRZDXCEOFFWQX-HTQZYQBOSA-N 1 0 201.339 1.356 10 0 BDAERO C[C@@H]1CC[C@@](O)([C@@H]2CCC[NH2+]2)CS1 ZINC000575535615 385913149 /nfs/dbraw/zinc/91/31/49/385913149.db2.gz ULXSTYAGTKUZDA-UTLUCORTSA-N 1 0 201.335 1.385 10 0 BDAERO CC(C)[C@H]1CN(C2CSC2)CC[NH2+]1 ZINC000575550157 385985118 /nfs/dbraw/zinc/98/51/18/385985118.db2.gz PWKMRSNICIPZAV-SNVBAGLBSA-N 1 0 200.351 1.032 10 0 BDAERO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1C ZINC000273357137 385992056 /nfs/dbraw/zinc/99/20/56/385992056.db2.gz CASAVBWHAFTZDR-ZIAGYGMSSA-N 1 0 235.327 1.231 10 0 BDAERO COc1ncc(C[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000309007773 385933877 /nfs/dbraw/zinc/93/38/77/385933877.db2.gz NULMRKKLBNYUOI-VXNVDRBHSA-N 1 0 228.317 1.419 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000336768299 385942904 /nfs/dbraw/zinc/94/29/04/385942904.db2.gz ULOUONYNLDPSII-AEJSXWLSSA-N 1 0 210.321 1.432 10 0 BDAERO Cc1nc(C)c(C[N@H+]2C[C@H](O)CC[C@@H]2C)o1 ZINC000643254812 385993563 /nfs/dbraw/zinc/99/35/63/385993563.db2.gz QZSLCYZXTUQTFV-GZMMTYOYSA-N 1 0 224.304 1.637 10 0 BDAERO COC(=O)[C@]1(c2cccc(F)c2)CC[NH2+]C1 ZINC000260776783 385951394 /nfs/dbraw/zinc/95/13/94/385951394.db2.gz SIVVLMSXPJSUNP-GFCCVEGCSA-N 1 0 223.247 1.230 10 0 BDAERO C[C@@H](CC1CC1)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336746598 385953702 /nfs/dbraw/zinc/95/37/02/385953702.db2.gz RNBFGVXVLXZECF-GXSJLCMTSA-N 1 0 224.348 1.822 10 0 BDAERO CC[C@H]([NH2+][C@H](CCO)COC)C(C)(C)C ZINC000336769330 385970972 /nfs/dbraw/zinc/97/09/72/385970972.db2.gz UUNNZUYSKJAVRW-MNOVXSKESA-N 1 0 217.353 1.798 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2cncs2)c1 ZINC000124263874 386012325 /nfs/dbraw/zinc/01/23/25/386012325.db2.gz VYYGGHVBEGEZRF-UHFFFAOYSA-N 1 0 222.317 1.438 10 0 BDAERO Cc1nc([C@]2([NH3+])CSC[C@H]2C)cs1 ZINC000575561461 386016017 /nfs/dbraw/zinc/01/60/17/386016017.db2.gz PFLSGGZGSIJKQC-MUWHJKNJSA-N 1 0 214.359 1.988 10 0 BDAERO COC[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000397228910 386054884 /nfs/dbraw/zinc/05/48/84/386054884.db2.gz DQMNKBRHHDRHPN-JLLWLGSASA-N 1 0 212.337 1.142 10 0 BDAERO C[NH2+][C@]1(C(N)=O)CCCC[C@H]1C(C)(C)C ZINC000037869761 386105241 /nfs/dbraw/zinc/10/52/41/386105241.db2.gz WSEDZQWONGRAOZ-JOYOIKCWSA-N 1 0 212.337 1.666 10 0 BDAERO COC[C@H](C)[NH2+]Cc1cc(C)nc(C)n1 ZINC000336772164 386067599 /nfs/dbraw/zinc/06/75/99/386067599.db2.gz XOIIELNRPIXUEL-VIFPVBQESA-N 1 0 209.293 1.218 10 0 BDAERO C[C@@]1(O)CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000287796813 386147953 /nfs/dbraw/zinc/14/79/53/386147953.db2.gz OGSITMRJLPBPIR-TZMCWYRMSA-N 1 0 217.312 1.783 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616648390 386167686 /nfs/dbraw/zinc/16/76/86/386167686.db2.gz UNUDOJGICBIUKE-GFCCVEGCSA-N 1 0 234.299 1.179 10 0 BDAERO Cc1cc(C(C)C)nc(N2CC[C@@H]([NH3+])[C@H]2C)n1 ZINC000310275538 386172263 /nfs/dbraw/zinc/17/22/63/386172263.db2.gz JMIPTACYDINRRP-GHMZBOCLSA-N 1 0 234.347 1.834 10 0 BDAERO CO[C@](C)(C[NH2+]CCn1cc(C)cn1)C1CC1 ZINC000310500497 386190869 /nfs/dbraw/zinc/19/08/69/386190869.db2.gz HTKIDEUQPXEMFV-CYBMUJFWSA-N 1 0 237.347 1.596 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)NC ZINC000336730158 386177209 /nfs/dbraw/zinc/17/72/09/386177209.db2.gz IGAVQAZRCRIMHB-GHMZBOCLSA-N 1 0 248.392 1.094 10 0 BDAERO CC(C)C[C@H]([NH3+])CN1CCC([C@@H](C)O)CC1 ZINC000414702091 386208287 /nfs/dbraw/zinc/20/82/87/386208287.db2.gz WWLXLNZSXFCSDW-YPMHNXCESA-N 1 0 228.380 1.453 10 0 BDAERO O=C(c1cccnc1F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000236171330 386232363 /nfs/dbraw/zinc/23/23/63/386232363.db2.gz LWKXUOZUTFCFIC-SNVBAGLBSA-N 1 0 249.289 1.141 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1[NH3+])c1ccccn1 ZINC000160869014 386373894 /nfs/dbraw/zinc/37/38/94/386373894.db2.gz IISWEPQBQKLAKX-HBNTYKKESA-N 1 0 233.315 1.386 10 0 BDAERO Cc1cnn([C@@H]2CC[N@H+](CC3(O)CCC3)C2)c1 ZINC000334490164 386335290 /nfs/dbraw/zinc/33/52/90/386335290.db2.gz HCHANHNOHLUBCZ-GFCCVEGCSA-N 1 0 235.331 1.353 10 0 BDAERO CN(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336776850 386404050 /nfs/dbraw/zinc/40/40/50/386404050.db2.gz GUZLAWNCQCWRHF-TUAOUCFPSA-N 1 0 232.343 1.027 10 0 BDAERO CSc1ccc([C@]2([NH3+])CCOC2)cc1 ZINC000521399122 386426221 /nfs/dbraw/zinc/42/62/21/386426221.db2.gz FVMNADLIXXWLNU-NSHDSACASA-N 1 0 209.314 1.983 10 0 BDAERO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000238357137 386469598 /nfs/dbraw/zinc/46/95/98/386469598.db2.gz SIDVGRIVHQRPIH-KOLCDFICSA-N 1 0 207.273 1.366 10 0 BDAERO C[C@H]([NH2+]CC[C@@H](O)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414439555 386470565 /nfs/dbraw/zinc/47/05/65/386470565.db2.gz LHCKLPBYQDKQNI-RYPBNFRJSA-N 1 0 225.254 1.934 10 0 BDAERO Cc1ncsc1CC[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399264309 386471137 /nfs/dbraw/zinc/47/11/37/386471137.db2.gz UYTKRMOZTZYVOF-GXSJLCMTSA-N 1 0 240.372 1.839 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCc1ccncc1 ZINC000399287773 386484322 /nfs/dbraw/zinc/48/43/22/386484322.db2.gz QIIAQECVCQNIDP-WCQYABFASA-N 1 0 220.316 1.469 10 0 BDAERO COCc1ccccc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335440786 386500178 /nfs/dbraw/zinc/50/01/78/386500178.db2.gz WYKQBZGZMWCQPR-GXFFZTMASA-N 1 0 248.326 1.395 10 0 BDAERO CCC1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062116453 386503059 /nfs/dbraw/zinc/50/30/59/386503059.db2.gz FCQRZSXGRUBIRU-CXQJBGSLSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@H]1[C@H]([NH2+]C2COC2)CCN1Cc1ccccc1 ZINC000287289216 386532060 /nfs/dbraw/zinc/53/20/60/386532060.db2.gz KBGWDIFJBYIEFR-SWLSCSKDSA-N 1 0 246.354 1.638 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000393744280 386534192 /nfs/dbraw/zinc/53/41/92/386534192.db2.gz IDHGJALLAOKUTD-VHSXEESVSA-N 1 0 223.324 1.532 10 0 BDAERO O=C1NC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]12 ZINC000238855468 386536277 /nfs/dbraw/zinc/53/62/77/386536277.db2.gz RZDNWXGLKFTFQQ-CHWSQXEVSA-N 1 0 230.311 1.255 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000061821085 386537743 /nfs/dbraw/zinc/53/77/43/386537743.db2.gz JHDFXYQEVDAQLT-JTQLQIEISA-N 1 0 212.337 1.762 10 0 BDAERO CCC[C@H](C(=O)N1CCC[C@@H](OC)C1)[NH+](C)C ZINC000179184300 386624379 /nfs/dbraw/zinc/62/43/79/386624379.db2.gz QEPMNTXINQPEAW-VXGBXAGGSA-N 1 0 242.363 1.354 10 0 BDAERO CCC[C@H](C(=O)N1CCC[C@H](OC)C1)[NH+](C)C ZINC000179184275 386624786 /nfs/dbraw/zinc/62/47/86/386624786.db2.gz QEPMNTXINQPEAW-NWDGAFQWSA-N 1 0 242.363 1.354 10 0 BDAERO CC[C@@H]1C[N@H+](CC2(O)CCC2)CCCO1 ZINC000335506473 386639664 /nfs/dbraw/zinc/63/96/64/386639664.db2.gz VRBMWCYKVPYNTA-LLVKDONJSA-N 1 0 213.321 1.402 10 0 BDAERO Nc1ncccc1[C@H]1CCCC[N@@H+]1CCO ZINC000616614511 386647651 /nfs/dbraw/zinc/64/76/51/386647651.db2.gz SPHFKQLUCZZARN-LLVKDONJSA-N 1 0 221.304 1.183 10 0 BDAERO CCN1CC[C@@]2(C1)[NH2+]C(C)(C)CS2 ZINC000306680858 386662729 /nfs/dbraw/zinc/66/27/29/386662729.db2.gz MKAMOWYQXXJJAZ-SNVBAGLBSA-N 1 0 200.351 1.523 10 0 BDAERO C[C@@H](C[N@H+](C)[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000320661694 386671595 /nfs/dbraw/zinc/67/15/95/386671595.db2.gz LRWBCVRNLUEIGE-WDEREUQCSA-N 1 0 243.347 1.685 10 0 BDAERO COCc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000335482229 386709202 /nfs/dbraw/zinc/70/92/02/386709202.db2.gz CBCGKOHNGNSQTB-GXFFZTMASA-N 1 0 248.326 1.252 10 0 BDAERO C[C@@H](C[NH3+])C(=O)Nc1ncc(Cl)s1 ZINC000307489103 386684007 /nfs/dbraw/zinc/68/40/07/386684007.db2.gz OPDBXJPGPNTLNQ-BYPYZUCNSA-N 1 0 219.697 1.330 10 0 BDAERO [NH3+]C/C=C/C(=O)Nc1ccccc1Cl ZINC000307506201 386699406 /nfs/dbraw/zinc/69/94/06/386699406.db2.gz LNZSXDSGBRUEAF-ZZXKWVIFSA-N 1 0 210.664 1.793 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@@H]1C ZINC000321134796 386701561 /nfs/dbraw/zinc/70/15/61/386701561.db2.gz UIYBNOWVNJJAHS-YFKTTZPYSA-N 1 0 245.388 1.445 10 0 BDAERO CCOC[C@H](C)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396540657 386772411 /nfs/dbraw/zinc/77/24/11/386772411.db2.gz AKZYWZJLUFVPMR-HBNTYKKESA-N 1 0 200.326 1.142 10 0 BDAERO Cc1cnc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)nc1C ZINC000395304479 386808649 /nfs/dbraw/zinc/80/86/49/386808649.db2.gz WSCZGVVSDWRSID-SKDRFNHKSA-N 1 0 234.347 1.515 10 0 BDAERO Cc1cnc(N2C[C@@H](C[NH3+])C[C@H]2C)nc1C ZINC000395337872 386816067 /nfs/dbraw/zinc/81/60/67/386816067.db2.gz XOYDNWSALPRRAL-MWLCHTKSSA-N 1 0 220.320 1.267 10 0 BDAERO c1cn([C@@H]2CC[N@@H+](Cc3ccccn3)C2)nn1 ZINC000585380462 386853660 /nfs/dbraw/zinc/85/36/60/386853660.db2.gz YCAHWUUFXBAHMW-GFCCVEGCSA-N 1 0 229.287 1.120 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000395111834 386929585 /nfs/dbraw/zinc/92/95/85/386929585.db2.gz SZXKKJWWPKXFDZ-FRRDWIJNSA-N 1 0 243.347 1.375 10 0 BDAERO C[C@H](O)CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398707875 386956996 /nfs/dbraw/zinc/95/69/96/386956996.db2.gz BPANTZTZJHSZAW-CYDGBPFRSA-N 1 0 227.348 1.240 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398779341 386990063 /nfs/dbraw/zinc/99/00/63/386990063.db2.gz JNEXFWBJFINTTE-ZDEQEGDKSA-N 1 0 227.348 1.096 10 0 BDAERO Cc1ccncc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000334916194 386991903 /nfs/dbraw/zinc/99/19/03/386991903.db2.gz OENTZFVZHWPYEZ-PWSUYJOCSA-N 1 0 233.315 1.247 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CNC(=O)O1)C(C)(C)C ZINC000393655632 386993832 /nfs/dbraw/zinc/99/38/32/386993832.db2.gz GYBYAEWLZSPAJZ-SFYZADRCSA-N 1 0 200.282 1.119 10 0 BDAERO Cn1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)n1 ZINC000398811571 386998864 /nfs/dbraw/zinc/99/88/64/386998864.db2.gz VVTCNURLXSMVNO-GVXVVHGQSA-N 1 0 235.331 1.013 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1S[C@H]1CCOC1 ZINC000575575869 387005291 /nfs/dbraw/zinc/00/52/91/387005291.db2.gz OAMUAVZMOCSCSJ-IVZWLZJFSA-N 1 0 201.335 1.778 10 0 BDAERO c1coc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106380309 387024765 /nfs/dbraw/zinc/02/47/65/387024765.db2.gz WGNBPPGAXFPDOO-CYBMUJFWSA-N 1 0 236.315 1.232 10 0 BDAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1cc(Br)nn1C ZINC000575455526 387027395 /nfs/dbraw/zinc/02/73/95/387027395.db2.gz MKPHLKMNLWYBIK-XVMARJQXSA-N 1 0 244.136 1.633 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000246366589 387079957 /nfs/dbraw/zinc/07/99/57/387079957.db2.gz IYWCYZKBPGAPJJ-AXFHLTTASA-N 1 0 222.336 1.617 10 0 BDAERO CC(C)(C)OC(=O)N1CCSC[C@@H]1CC[NH3+] ZINC000071478975 387107520 /nfs/dbraw/zinc/10/75/20/387107520.db2.gz TXMOKDKDMIRWPN-VIFPVBQESA-N 1 0 246.376 1.688 10 0 BDAERO COc1ccc(F)c([C@H](N)CC[NH3+])c1F ZINC000575438143 387115017 /nfs/dbraw/zinc/11/50/17/387115017.db2.gz FNJJWTIESAJZRQ-SSDOTTSWSA-N 1 0 216.231 1.322 10 0 BDAERO CC[NH+](CC)CCN1CCC[C@]12CCOC2=O ZINC000186681080 387121946 /nfs/dbraw/zinc/12/19/46/387121946.db2.gz NKEWWOYHZNLZBG-CYBMUJFWSA-N 1 0 240.347 1.110 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1C/C(Cl)=C\Cl ZINC000575587224 387157648 /nfs/dbraw/zinc/15/76/48/387157648.db2.gz CNGNPVKYMURGRB-RVLUYLEASA-N 1 0 209.120 1.727 10 0 BDAERO Cc1c[nH]nc1[C@@H]1C[NH2+]CC12CCCC2 ZINC000536951165 387163624 /nfs/dbraw/zinc/16/36/24/387163624.db2.gz NSYIZDGJIXOJIK-JTQLQIEISA-N 1 0 205.305 1.965 10 0 BDAERO [NH3+]C[C@@H](c1ccc(O)cc1)C1(CO)CCCC1 ZINC000536952748 387164828 /nfs/dbraw/zinc/16/48/28/387164828.db2.gz FVLWPLXDVSIDMH-ZDUSSCGKSA-N 1 0 235.327 1.987 10 0 BDAERO CC(C)[C@@H]1COC[C@@]12[NH2+]C[C@@H](C)S2 ZINC000575481105 387169679 /nfs/dbraw/zinc/16/96/79/387169679.db2.gz MOXVJKOWCLUFFF-UTLUCORTSA-N 1 0 201.335 1.710 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCCc1ccccc1 ZINC000336793885 387171652 /nfs/dbraw/zinc/17/16/52/387171652.db2.gz YUFYINHKGAVSQD-OCCSQVGLSA-N 1 0 246.354 1.957 10 0 BDAERO CCC[C@@H]1COC[C@]12[NH2+][C@@H](C)CS2 ZINC000575481140 387172404 /nfs/dbraw/zinc/17/24/04/387172404.db2.gz MYTJESZLEZOODU-IVZWLZJFSA-N 1 0 201.335 1.854 10 0 BDAERO CC[C@@H]1COC[C@]12[NH2+]C[C@@H](C)CS2 ZINC000575479218 387175506 /nfs/dbraw/zinc/17/55/06/387175506.db2.gz CGUUBHOSHVZKKT-OPRDCNLKSA-N 1 0 201.335 1.712 10 0 BDAERO C[C@H]1CSC(NC2CC(F)(F)C2)=[NH+]1 ZINC000575479226 387176632 /nfs/dbraw/zinc/17/66/32/387176632.db2.gz CIXXPJYPZMPTSZ-YFKPBYRVSA-N 1 0 206.261 1.865 10 0 BDAERO CC[C@H]1COC[C@@]12[NH2+]C(C)(C)CS2 ZINC000575482767 387184897 /nfs/dbraw/zinc/18/48/97/387184897.db2.gz SVTJGLSHXKQFEO-WPRPVWTQSA-N 1 0 201.335 1.854 10 0 BDAERO CNC(=[NH2+])NC[C@H]1CCCSCC1 ZINC000575482370 387188729 /nfs/dbraw/zinc/18/87/29/387188729.db2.gz CHMQZRKRUGWKFQ-QMMMGPOBSA-N 1 0 201.339 1.263 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187791593 387213354 /nfs/dbraw/zinc/21/33/54/387213354.db2.gz CWUYVJGKBAIBDF-NWDGAFQWSA-N 1 0 241.379 1.624 10 0 BDAERO CCCC[C@H](COC)[NH2+][C@@H](C(=O)NC)C(C)C ZINC000187812974 387214637 /nfs/dbraw/zinc/21/46/37/387214637.db2.gz VRNVHBGHSNQKBH-VXGBXAGGSA-N 1 0 244.379 1.552 10 0 BDAERO O=C1NCCCC[C@H]1[N@@H+]1CCC2(CCC2)C1 ZINC000120258385 387217299 /nfs/dbraw/zinc/21/72/99/387217299.db2.gz PRSOXTWLDUDUOQ-LLVKDONJSA-N 1 0 222.332 1.531 10 0 BDAERO C[C@@H]1CSC(N[C@H]2COC[C@@H]2C)=[NH+]1 ZINC000575484957 387253106 /nfs/dbraw/zinc/25/31/06/387253106.db2.gz KLQFJAVFZCHBNG-RNJXMRFFSA-N 1 0 200.307 1.102 10 0 BDAERO NC(=[NH2+])Nc1cc(Cl)cc(F)c1F ZINC000575495923 387312667 /nfs/dbraw/zinc/31/26/67/387312667.db2.gz FLUMEUZRANLYNG-UHFFFAOYSA-N 1 0 205.595 1.924 10 0 BDAERO COC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@H]1C)C1CC1 ZINC000121232276 387317132 /nfs/dbraw/zinc/31/71/32/387317132.db2.gz MUOSFZJRDNSMKM-XBFCOCLRSA-N 1 0 240.391 1.730 10 0 BDAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(=O)[nH]n1 ZINC000285797975 387278312 /nfs/dbraw/zinc/27/83/12/387278312.db2.gz VCZUICMVDYVEKO-HTQZYQBOSA-N 1 0 207.277 1.219 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000120906896 387282858 /nfs/dbraw/zinc/28/28/58/387282858.db2.gz UEUUCWPAJGBMAU-DRZSPHRISA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000120906568 387282967 /nfs/dbraw/zinc/28/29/67/387282967.db2.gz UEUUCWPAJGBMAU-UHTWSYAYSA-N 1 0 227.348 1.695 10 0 BDAERO [NH3+]C[C@@H]1CO[C@@H]2C[C@@H](C(F)(F)F)CC[C@H]12 ZINC000575601956 387369087 /nfs/dbraw/zinc/36/90/87/387369087.db2.gz JEFRPPRJBCCCNO-BZNPZCIMSA-N 1 0 223.238 1.939 10 0 BDAERO C[C@@H]1CCS[C@@]2(CC[NH2+][C@H](C)C2)N1 ZINC000575512950 387384632 /nfs/dbraw/zinc/38/46/32/387384632.db2.gz VWDIYHPDRIHIQS-OPRDCNLKSA-N 1 0 200.351 1.570 10 0 BDAERO CN(CC[NH3+])c1nccc2sccc21 ZINC000053663629 387372982 /nfs/dbraw/zinc/37/29/82/387372982.db2.gz ZVMBGOBSBDJFGW-UHFFFAOYSA-N 1 0 207.302 1.691 10 0 BDAERO CC[NH2+][C@H]1COC2(C1)CCSCC2 ZINC000575511088 387382183 /nfs/dbraw/zinc/38/21/83/387382183.db2.gz LJTHEHOGICDLJI-SECBINFHSA-N 1 0 201.335 1.651 10 0 BDAERO CCc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)nc1 ZINC000393096470 387322056 /nfs/dbraw/zinc/32/20/56/387322056.db2.gz OEXAOXYLYWLLMF-GXFFZTMASA-N 1 0 247.342 1.401 10 0 BDAERO Cc1cnn(C)c1C[NH2+][C@H]1CCCC[C@H]1O ZINC000286659590 387338051 /nfs/dbraw/zinc/33/80/51/387338051.db2.gz UOCCABXHVAOUKG-CMPLNLGQSA-N 1 0 223.320 1.122 10 0 BDAERO c1ccc2c(c1)CCC[C@H]2NC1=[NH+]CCN1 ZINC000002037334 387345408 /nfs/dbraw/zinc/34/54/08/387345408.db2.gz YSFYKBDQXKNRPP-GFCCVEGCSA-N 1 0 215.300 1.613 10 0 BDAERO Cc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)nn1 ZINC000396611223 387348507 /nfs/dbraw/zinc/34/85/07/387348507.db2.gz FTLBKFCLSURNQV-AWEZNQCLSA-N 1 0 246.358 1.455 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC=O ZINC000306573053 387426290 /nfs/dbraw/zinc/42/62/90/387426290.db2.gz HYJPZHLTQNWGGV-TZMCWYRMSA-N 1 0 232.327 1.643 10 0 BDAERO CCC(O)(CC)C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352669396 387431464 /nfs/dbraw/zinc/43/14/64/387431464.db2.gz ZLQAESXGVCMWJV-QWRGUYRKSA-N 1 0 215.337 1.383 10 0 BDAERO CCC(O)(CC)C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352669397 387433178 /nfs/dbraw/zinc/43/31/78/387433178.db2.gz ZLQAESXGVCMWJV-WDEREUQCSA-N 1 0 215.337 1.383 10 0 BDAERO CC1(C)CS[C@H]([C@@H]2CCCCO2)[NH2+]1 ZINC000575522363 387442984 /nfs/dbraw/zinc/44/29/84/387442984.db2.gz BJOSEWSXUXTSKH-DTWKUNHWSA-N 1 0 201.335 1.997 10 0 BDAERO CC1(C)CN(C[C@@H]2C[NH2+]CCS2)C1 ZINC000575522789 387443768 /nfs/dbraw/zinc/44/37/68/387443768.db2.gz RUQJVQQKMQWVGX-VIFPVBQESA-N 1 0 200.351 1.033 10 0 BDAERO C[C@@H](Nc1cnn(C)c1Cl)[C@H](C)[NH3+] ZINC000575520610 387447905 /nfs/dbraw/zinc/44/79/05/387447905.db2.gz DEGHNNRPXDWYMS-NTSWFWBYSA-N 1 0 202.689 1.221 10 0 BDAERO Fc1c(Br)cccc1NC1C[NH2+]C1 ZINC000575523088 387452150 /nfs/dbraw/zinc/45/21/50/387452150.db2.gz GCQQMQLMQBDAOB-UHFFFAOYSA-N 1 0 245.095 1.972 10 0 BDAERO CC1(C)C[C@@]2(CC[NH2+]1)NCCCS2 ZINC000575512333 387385923 /nfs/dbraw/zinc/38/59/23/387385923.db2.gz NKGFBRMVLRNOAT-JTQLQIEISA-N 1 0 200.351 1.571 10 0 BDAERO Cc1ncsc1[C@]1(F)CCC[NH2+]C1 ZINC000575513938 387386476 /nfs/dbraw/zinc/38/64/76/387386476.db2.gz CICNCBMXKFWENO-VIFPVBQESA-N 1 0 200.282 2.000 10 0 BDAERO CC[NH+](CC)CCNC(=O)[C@H]1CC[C@H](C)O1 ZINC000121634573 387389767 /nfs/dbraw/zinc/38/97/67/387389767.db2.gz RYCNOBKCABMUOJ-WDEREUQCSA-N 1 0 228.336 1.012 10 0 BDAERO Cc1ccc(C[NH+]2[C@H](CO)CC[C@H]2CO)cc1 ZINC000584623679 387502652 /nfs/dbraw/zinc/50/26/52/387502652.db2.gz GMPAWOLBJJWPIV-KBPBESRZSA-N 1 0 235.327 1.313 10 0 BDAERO C[C@]([NH3+])(C(N)=O)c1cccc(Br)c1 ZINC000037460068 387508579 /nfs/dbraw/zinc/50/85/79/387508579.db2.gz BJOMVPCARODHTN-SECBINFHSA-N 1 0 243.104 1.108 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000395958632 387516953 /nfs/dbraw/zinc/51/69/53/387516953.db2.gz OSJZEXJXFATYFX-SECBINFHSA-N 1 0 213.325 1.084 10 0 BDAERO Cc1cnn(CC[NH+]2CCC([C@H](C)O)CC2)c1 ZINC000304937295 387525956 /nfs/dbraw/zinc/52/59/56/387525956.db2.gz YYWIICIWTPYOKF-LBPRGKRZSA-N 1 0 237.347 1.284 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NC1(C2CC2)CC1 ZINC000648084943 387533733 /nfs/dbraw/zinc/53/37/33/387533733.db2.gz FJHSDWWTJWUGKR-LLVKDONJSA-N 1 0 222.332 1.577 10 0 BDAERO Cc1ccc(Br)c(NC(=O)C[NH3+])n1 ZINC000575526053 387538473 /nfs/dbraw/zinc/53/84/73/387538473.db2.gz PKZNOVRUNRARQQ-UHFFFAOYSA-N 1 0 244.092 1.050 10 0 BDAERO C/C(=C\Cl)C[C@@]1([NH3+])CCS(=O)(=O)C1 ZINC000575528641 387538719 /nfs/dbraw/zinc/53/87/19/387538719.db2.gz UCMXVJKFKWTCPF-IVGLGHLBSA-N 1 0 223.725 1.035 10 0 BDAERO C[NH+](C)CCC[C@@H]1CC[C@@]2(O)CC=CC[C@]12O ZINC000039219914 387488001 /nfs/dbraw/zinc/48/80/01/387488001.db2.gz OOOVFJPACRAZOR-RDBSUJKOSA-N 1 0 239.359 1.550 10 0 BDAERO C[C@H](C[NH3+])Nc1cc(C(F)(F)F)ccn1 ZINC000085486244 387491082 /nfs/dbraw/zinc/49/10/82/387491082.db2.gz PNZIRGILSYITNW-ZCFIWIBFSA-N 1 0 219.210 1.860 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccncc2C)c1 ZINC000295252088 387592480 /nfs/dbraw/zinc/59/24/80/387592480.db2.gz UJGJJWDTDBWBID-UHFFFAOYSA-N 1 0 230.315 1.685 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCOC[C@H]2O)ccc1F ZINC000623765918 387593197 /nfs/dbraw/zinc/59/31/97/387593197.db2.gz YRIRZSYSWDFYDA-QWHCGFSZSA-N 1 0 239.290 1.374 10 0 BDAERO CCSCC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000122833965 387606945 /nfs/dbraw/zinc/60/69/45/387606945.db2.gz RBUUUHGTHSGXDZ-NSHDSACASA-N 1 0 230.377 1.340 10 0 BDAERO COc1ncccc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000124304790 387612938 /nfs/dbraw/zinc/61/29/38/387612938.db2.gz JFXRGTRHQWJFFF-NSHDSACASA-N 1 0 236.315 1.295 10 0 BDAERO Cc1nc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)no1 ZINC000113270344 387547263 /nfs/dbraw/zinc/54/72/63/387547263.db2.gz QECNYGOKJKDFRX-GXSJLCMTSA-N 1 0 236.319 1.047 10 0 BDAERO C[C@H]1CC[C@@H](N(C)C2C[NH2+]C2)CS1 ZINC000575535499 387575362 /nfs/dbraw/zinc/57/53/62/387575362.db2.gz OFWPKPMRRWPLSJ-DTWKUNHWSA-N 1 0 200.351 1.174 10 0 BDAERO [NH3+]C1(Cc2ccncc2Cl)CSC1 ZINC000575551460 387650108 /nfs/dbraw/zinc/65/01/08/387650108.db2.gz YBAYGRHJTBFWDE-UHFFFAOYSA-N 1 0 214.721 1.722 10 0 BDAERO CC1(C)CN(C2CSC2)CCC[NH2+]1 ZINC000575551722 387652552 /nfs/dbraw/zinc/65/25/52/387652552.db2.gz YLPBTVFGXGLGPW-UHFFFAOYSA-N 1 0 200.351 1.176 10 0 BDAERO Cc1nc(CC2([NH3+])CSC2)cs1 ZINC000575550609 387653901 /nfs/dbraw/zinc/65/39/01/387653901.db2.gz VBEJDNJLLKOLKR-UHFFFAOYSA-N 1 0 200.332 1.438 10 0 BDAERO COC[C@H](C)N(C)CC[NH2+]Cc1ccccc1 ZINC000053391983 387754044 /nfs/dbraw/zinc/75/40/44/387754044.db2.gz BVRCGWCVKJYMPN-ZDUSSCGKSA-N 1 0 236.359 1.743 10 0 BDAERO Cc1cc([C@@]2([NH3+])CSC[C@H]2C)sn1 ZINC000575562256 387700760 /nfs/dbraw/zinc/70/07/60/387700760.db2.gz XLPYEDGBUFXRDZ-HZGVNTEJSA-N 1 0 214.359 1.988 10 0 BDAERO C[C@@H]1N(Cc2ccccc2)CC[C@@]1(C)[NH3+] ZINC000575562191 387700793 /nfs/dbraw/zinc/70/07/93/387700793.db2.gz YYYPAMRIHZJRRD-WCQYABFASA-N 1 0 204.317 1.998 10 0 BDAERO C[C@@H]1C[C@@]([NH3+])(C2CCOCC2)CS1 ZINC000575573448 387754947 /nfs/dbraw/zinc/75/49/47/387754947.db2.gz VXOOIMNAFGACIZ-SCZZXKLOSA-N 1 0 201.335 1.636 10 0 BDAERO C[C@H]1CSC[C@]1([NH3+])c1cncs1 ZINC000575562326 387701458 /nfs/dbraw/zinc/70/14/58/387701458.db2.gz YTBWMSSYNUAGIN-POYBYMJQSA-N 1 0 200.332 1.680 10 0 BDAERO C[C@@H]1SCC[C@@]1([NH3+])c1cscn1 ZINC000575562129 387702477 /nfs/dbraw/zinc/70/24/77/387702477.db2.gz YIYCDQWGRMXDAA-XPUUQOCRSA-N 1 0 200.332 1.823 10 0 BDAERO C[C@@H]1CS[C@@](C)([C@@H]2CCCCO2)[NH2+]1 ZINC000575562738 387704877 /nfs/dbraw/zinc/70/48/77/387704877.db2.gz CLWAVOZAKIZAOP-UTLUCORTSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@]1([C@@H]2CCCCO2)[NH2+]CCCS1 ZINC000575563972 387706558 /nfs/dbraw/zinc/70/65/58/387706558.db2.gz XSEGRYFYYPQDNG-UWVGGRQHSA-N 1 0 201.335 1.998 10 0 BDAERO C[C@@]1(O)CCC[C@@]1(C)[NH2+]C1CSC1 ZINC000575563798 387706565 /nfs/dbraw/zinc/70/65/65/387706565.db2.gz VGIBYVAYIOOTMV-NXEZZACHSA-N 1 0 201.335 1.385 10 0 BDAERO CCN(C)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000127555325 387717622 /nfs/dbraw/zinc/71/76/22/387717622.db2.gz SMUOTHMSNIOQAF-LLVKDONJSA-N 1 0 227.352 1.474 10 0 BDAERO CC(C)n1ccnc1C[NH2+]CC1CC(O)C1 ZINC000527816104 387735781 /nfs/dbraw/zinc/73/57/81/387735781.db2.gz CKMRYAPCHNVGFX-UHFFFAOYSA-N 1 0 223.320 1.325 10 0 BDAERO C[C@H]1SCC[C@@]1([NH3+])Cc1cnsn1 ZINC000575567441 387737071 /nfs/dbraw/zinc/73/70/71/387737071.db2.gz JPZPCHJMFAAKSS-HTRCEHHLSA-N 1 0 215.347 1.304 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(C)(C)C ZINC000129439955 387769978 /nfs/dbraw/zinc/76/99/78/387769978.db2.gz XFUZDAFGWPKVRO-VHSXEESVSA-N 1 0 222.336 1.617 10 0 BDAERO CC(C)CC[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000300945863 387787269 /nfs/dbraw/zinc/78/72/69/387787269.db2.gz NRRWJVFJSDGKPY-NEPJUHHUSA-N 1 0 224.348 1.776 10 0 BDAERO CC1(C)[C@H]([NH2+]CCC2CC(O)C2)[C@@H]2CCO[C@@H]21 ZINC000432431546 387788924 /nfs/dbraw/zinc/78/89/24/387788924.db2.gz WQZZBPHVJQFLCW-WJFHSMSDSA-N 1 0 239.359 1.551 10 0 BDAERO CCc1csc(N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000169208578 387793018 /nfs/dbraw/zinc/79/30/18/387793018.db2.gz GVILWFQKNFECOI-SCZZXKLOSA-N 1 0 241.360 1.258 10 0 BDAERO CCc1csc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000169208655 387794727 /nfs/dbraw/zinc/79/47/27/387794727.db2.gz GVILWFQKNFECOI-PSASIEDQSA-N 1 0 241.360 1.258 10 0 BDAERO CSC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322124534 387937991 /nfs/dbraw/zinc/93/79/91/387937991.db2.gz CVLXSUUPILFJDD-LNFKQOIKSA-N 1 0 217.378 1.735 10 0 BDAERO C[NH2+]CCc1nc2sccc2c(C)n1 ZINC000306159181 387961114 /nfs/dbraw/zinc/96/11/14/387961114.db2.gz FDKOGQFULPMIFS-UHFFFAOYSA-N 1 0 207.302 1.762 10 0 BDAERO CC(=O)CC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245745323 387980390 /nfs/dbraw/zinc/98/03/90/387980390.db2.gz XWXTVKVYMMQAAL-DGCLKSJQSA-N 1 0 235.331 1.745 10 0 BDAERO OC1[C@@H]2CCC[C@H]1C[N@@H+]([C@H]1CCCC[C@@H]1O)C2 ZINC000246008044 388003160 /nfs/dbraw/zinc/00/31/60/388003160.db2.gz ZETYNBIXXGAEJD-BMNJFWBPSA-N 1 0 239.359 1.383 10 0 BDAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080999008 388005669 /nfs/dbraw/zinc/00/56/69/388005669.db2.gz JDRIYQRKPQDMGI-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO C[Si](C)(C)C[N@@H+]1CCN2CCC[C@H]2C1 ZINC000246260859 388025346 /nfs/dbraw/zinc/02/53/46/388025346.db2.gz ODKLZQQOLYFZTI-NSHDSACASA-N 1 0 212.413 1.644 10 0 BDAERO CC(C)c1nccc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246195357 388018838 /nfs/dbraw/zinc/01/88/38/388018838.db2.gz TVBNPGXPNVEYFH-LBPRGKRZSA-N 1 0 246.358 1.884 10 0 BDAERO c1cnn(C[C@@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)c1 ZINC000246215431 388020145 /nfs/dbraw/zinc/02/01/45/388020145.db2.gz CBIXGLABHAPBDU-KGLIPLIRSA-N 1 0 247.342 1.693 10 0 BDAERO O=C(c1ccc[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000082277659 388021186 /nfs/dbraw/zinc/02/11/86/388021186.db2.gz FQYHFLDEBOYKJN-UHFFFAOYSA-N 1 0 247.342 1.715 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@@](=O)[C@H](C)C[NH2+]1 ZINC000306316369 388033400 /nfs/dbraw/zinc/03/34/00/388033400.db2.gz AAPMTOYOMJTHME-VYUIOLGVSA-N 1 0 203.351 1.532 10 0 BDAERO CC(C)CC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000082559345 388036975 /nfs/dbraw/zinc/03/69/75/388036975.db2.gz MTHQTESLGBYLCL-SDDRHHMPSA-N 1 0 226.364 1.783 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000246293933 388029525 /nfs/dbraw/zinc/02/95/25/388029525.db2.gz BFDIQXHPLRQFGA-GRYCIOLGSA-N 1 0 222.332 1.195 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)C ZINC000083550317 388055275 /nfs/dbraw/zinc/05/52/75/388055275.db2.gz RYPGPJNUBGAOSU-GHMZBOCLSA-N 1 0 224.348 1.728 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(F)(F)F ZINC000083550251 388055729 /nfs/dbraw/zinc/05/57/29/388055729.db2.gz ZFDSZLGLOSHDFV-JGVFFNPUSA-N 1 0 236.237 1.244 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000085590946 388092109 /nfs/dbraw/zinc/09/21/09/388092109.db2.gz PNGXBVVDTNNIGD-ZDUSSCGKSA-N 1 0 221.348 1.599 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)C[C@@H](C)O1 ZINC000645965086 388094137 /nfs/dbraw/zinc/09/41/37/388094137.db2.gz XVKKOPOSYOMBTQ-UTUOFQBUSA-N 1 0 242.363 1.386 10 0 BDAERO [NH3+]CC[C@H]1C(=O)Nc2cccc(Cl)c21 ZINC000071483467 388095217 /nfs/dbraw/zinc/09/52/17/388095217.db2.gz GUVPVVVFHBKFLS-ZCFIWIBFSA-N 1 0 210.664 1.725 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447849187 388098102 /nfs/dbraw/zinc/09/81/02/388098102.db2.gz OUXXSUSGVGEFCA-AAEUAGOBSA-N 1 0 229.364 1.894 10 0 BDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccon1 ZINC000086485675 388103058 /nfs/dbraw/zinc/10/30/58/388103058.db2.gz BPBVHWVDZKMOHK-WCQYABFASA-N 1 0 235.331 1.733 10 0 BDAERO C[C@H](O)CCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086930205 388111217 /nfs/dbraw/zinc/11/12/17/388111217.db2.gz LWPOFCCUTRGYEH-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCN ZINC000261528456 135153542 /nfs/dbraw/zinc/15/35/42/135153542.db2.gz LVCYRABJXINZRV-VIFPVBQESA-N 1 0 212.724 1.819 10 0 BDAERO CCc1nnc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000646093774 388141690 /nfs/dbraw/zinc/14/16/90/388141690.db2.gz IZSSSTBWOFRFKZ-IVZWLZJFSA-N 1 0 221.304 1.910 10 0 BDAERO CC[C@@](C)(C[N@@H+]1CCN2CCC[C@H]2C1)OC ZINC000323062021 388147515 /nfs/dbraw/zinc/14/75/15/388147515.db2.gz KSQGKIPAQBXKDV-STQMWFEESA-N 1 0 226.364 1.582 10 0 BDAERO Cc1sc(=O)n(C[C@@H]2CCC[NH2+]2)c1C ZINC000070915232 388257953 /nfs/dbraw/zinc/25/79/53/388257953.db2.gz KWHOWIVZGBWAOE-VIFPVBQESA-N 1 0 212.318 1.279 10 0 BDAERO Cc1nccnc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310578433 256530573 /nfs/dbraw/zinc/53/05/73/256530573.db2.gz QHVHNALAVCLYTB-TXEJJXNPSA-N 1 0 232.331 1.221 10 0 BDAERO O=C(/C=C\c1ccc[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000491951255 388329495 /nfs/dbraw/zinc/32/94/95/388329495.db2.gz DWZHCYCNZQPFSA-CFHLNLSMSA-N 1 0 245.326 1.335 10 0 BDAERO O[C@@]1(Cc2ccsc2Cl)CC[NH2+]C1 ZINC000575523391 388358854 /nfs/dbraw/zinc/35/88/54/388358854.db2.gz KJKUOQMJJLKDIW-SECBINFHSA-N 1 0 217.721 1.668 10 0 BDAERO C[C@@H]1CCC[N@@H+]1C[C@@H]1CNCCS1 ZINC000575522377 388359134 /nfs/dbraw/zinc/35/91/34/388359134.db2.gz BZLHUOKKNDRPQJ-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCNC(=O)C1 ZINC000300387966 388365060 /nfs/dbraw/zinc/36/50/60/388365060.db2.gz QEOIOGASEYMUCN-VWYCJHECSA-N 1 0 210.321 1.433 10 0 BDAERO CC[NH2+]CCCNc1ncnc2[nH]ccc21 ZINC000572706498 388368990 /nfs/dbraw/zinc/36/89/90/388368990.db2.gz MNEACMIJBNFGID-UHFFFAOYSA-N 1 0 219.292 1.321 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccon1 ZINC000328176772 388405711 /nfs/dbraw/zinc/40/57/11/388405711.db2.gz LLWRLDIDBBTPAY-MWLCHTKSSA-N 1 0 210.277 1.315 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCC1(C)CC1 ZINC000646556091 388381033 /nfs/dbraw/zinc/38/10/33/388381033.db2.gz KUADHLZESZGFAI-SNVBAGLBSA-N 1 0 212.337 1.666 10 0 BDAERO C[C@@H]([NH3+])CS(=O)(=O)c1cccc(Cl)c1 ZINC000071543335 388444687 /nfs/dbraw/zinc/44/46/87/388444687.db2.gz VMNJYSIZXVTICK-SSDOTTSWSA-N 1 0 233.720 1.461 10 0 BDAERO Cc1cc(C)n(CC[N@@H+]2C[C@H](C)C[C@@H](O)C2)n1 ZINC000335586413 388451298 /nfs/dbraw/zinc/45/12/98/388451298.db2.gz OJUFHORVZOINLD-ZWNOBZJWSA-N 1 0 237.347 1.203 10 0 BDAERO CC(C)n1cncc1C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000335597207 388451590 /nfs/dbraw/zinc/45/15/90/388451590.db2.gz PEIZNOLRMQBETQ-YPMHNXCESA-N 1 0 237.347 1.809 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CCc2cccnc2)C1 ZINC000335587921 388451651 /nfs/dbraw/zinc/45/16/51/388451651.db2.gz BIMNKRXEBCCFSO-AAEUAGOBSA-N 1 0 220.316 1.327 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000335701939 388453446 /nfs/dbraw/zinc/45/34/46/388453446.db2.gz MHXDKKVEBVSWHC-UWVGGRQHSA-N 1 0 212.337 1.678 10 0 BDAERO CC[C@H](CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)OC ZINC000336685495 388462618 /nfs/dbraw/zinc/46/26/18/388462618.db2.gz UGLLZFVMEAWYDA-RWMBFGLXSA-N 1 0 226.364 1.580 10 0 BDAERO C[C@H]([NH3+])C[C@H](C)Nc1ncnc2c1CCC2 ZINC000165722674 388409879 /nfs/dbraw/zinc/40/98/79/388409879.db2.gz NLHQBMFSNSRKCQ-IUCAKERBSA-N 1 0 220.320 1.503 10 0 BDAERO COc1ncc(Cl)c(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000165719443 388410138 /nfs/dbraw/zinc/41/01/38/388410138.db2.gz FCEQWMNCDCFYHZ-RNFRBKRXSA-N 1 0 244.726 1.676 10 0 BDAERO Cc1ccccc1OCC(=O)NCC[C@@H](C)[NH3+] ZINC000646678716 388413860 /nfs/dbraw/zinc/41/38/60/388413860.db2.gz ATJKCYHDIBCEAR-LLVKDONJSA-N 1 0 236.315 1.227 10 0 BDAERO CC(C)C1([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000393439284 388430728 /nfs/dbraw/zinc/43/07/28/388430728.db2.gz XMZPKZVWFFMIHC-JTQLQIEISA-N 1 0 210.321 1.385 10 0 BDAERO CC[C@@H]([NH2+]CCn1cncn1)C1CCC1 ZINC000322462352 388435395 /nfs/dbraw/zinc/43/53/95/388435395.db2.gz LVBYFLUKVYWMAA-LLVKDONJSA-N 1 0 208.309 1.446 10 0 BDAERO Cc1cccc(-c2cc(N3CC[C@H]([NH3+])C3)n[nH]2)c1 ZINC000070460243 388437163 /nfs/dbraw/zinc/43/71/63/388437163.db2.gz QVLWVMXJBNZYKA-LBPRGKRZSA-N 1 0 242.326 1.923 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1CC1(C)C ZINC000397573800 388480251 /nfs/dbraw/zinc/48/02/51/388480251.db2.gz CUNJRXAVUQLGIN-AGIUHOORSA-N 1 0 240.391 1.731 10 0 BDAERO CC(C)C1([NH2+]CC(=O)N2CCCCC2)CC1 ZINC000339518004 388485077 /nfs/dbraw/zinc/48/50/77/388485077.db2.gz XXDNSYKKMFOZEP-UHFFFAOYSA-N 1 0 224.348 1.777 10 0 BDAERO COC[C@H](C)[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000034936853 388493398 /nfs/dbraw/zinc/49/33/98/388493398.db2.gz MEXIMSZYETZZMI-QWRGUYRKSA-N 1 0 242.363 1.448 10 0 BDAERO COC[C@]1(C(=O)Nc2ccc(C)cn2)CCC[NH2+]1 ZINC000649276417 388496477 /nfs/dbraw/zinc/49/64/77/388496477.db2.gz XIYYIKZMUBPMPG-ZDUSSCGKSA-N 1 0 249.314 1.097 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000344112628 388504860 /nfs/dbraw/zinc/50/48/60/388504860.db2.gz LUTBSCLSYITYRL-CABCVRRESA-N 1 0 249.354 1.885 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CCC(F)(F)F)C1 ZINC000344704406 388508886 /nfs/dbraw/zinc/50/88/86/388508886.db2.gz AABGWSQXHXRHPV-SFYZADRCSA-N 1 0 227.226 1.020 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H](C)CC(C)C)C1 ZINC000344711553 388509028 /nfs/dbraw/zinc/50/90/28/388509028.db2.gz LGHCTJJSFRHYSG-JHJVBQTASA-N 1 0 229.364 1.750 10 0 BDAERO CO[C@H](CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C1CC1 ZINC000356438189 388549457 /nfs/dbraw/zinc/54/94/57/388549457.db2.gz UTICIGQLDIHXHR-KWCYVHTRSA-N 1 0 238.375 1.580 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2conc2C)C1 ZINC000378851034 388523376 /nfs/dbraw/zinc/52/33/76/388523376.db2.gz FMVYJYVXCYWJSW-BXKDBHETSA-N 1 0 223.320 1.413 10 0 BDAERO CCC(CC)C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282585 256769578 /nfs/dbraw/zinc/76/95/78/256769578.db2.gz FQXLJQQPHWUMGI-GHMZBOCLSA-N 1 0 210.321 1.100 10 0 BDAERO CCn1cc(C[N@H+](C)C[C@](C)(O)CC)cn1 ZINC000548404663 388534328 /nfs/dbraw/zinc/53/43/28/388534328.db2.gz HWBBAXNVHGVKES-GFCCVEGCSA-N 1 0 225.336 1.496 10 0 BDAERO CO[C@H](CN1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000379205720 388597377 /nfs/dbraw/zinc/59/73/77/388597377.db2.gz LSGLPAAWMYAWCW-KWCYVHTRSA-N 1 0 234.343 1.653 10 0 BDAERO CC(C)c1noc([C@@H]2OCC[C@@H]2C[NH3+])n1 ZINC000521399913 256863264 /nfs/dbraw/zinc/86/32/64/256863264.db2.gz BRPQOKSEDZIZSU-HTQZYQBOSA-N 1 0 211.265 1.229 10 0 BDAERO C[C@@H]1CCC[C@@H]1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000184703504 388582398 /nfs/dbraw/zinc/58/23/98/388582398.db2.gz UWBVNHYDLKBEAT-UPJWGTAASA-N 1 0 238.375 1.975 10 0 BDAERO c1cncc(CCN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000248331246 388675109 /nfs/dbraw/zinc/67/51/09/388675109.db2.gz DWPVAKWUNNEIMB-HNNXBMFYSA-N 1 0 245.370 1.794 10 0 BDAERO CCOCCN1CC[N@H+](C[C@H](C)OC)C[C@@H]1C ZINC000248427981 388680547 /nfs/dbraw/zinc/68/05/47/388680547.db2.gz OXVGYUCPCOLSAL-STQMWFEESA-N 1 0 244.379 1.064 10 0 BDAERO CC(C)(O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000086235845 388683356 /nfs/dbraw/zinc/68/33/56/388683356.db2.gz MIRQRXGNZLRCEO-NXEZZACHSA-N 1 0 201.310 1.041 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](CC[C@@H]3CCCO3)C2)cn1 ZINC000189338663 388632384 /nfs/dbraw/zinc/63/23/84/388632384.db2.gz HLANPUBVRCPGOI-JSGCOSHPSA-N 1 0 249.358 1.779 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC(C)(C)C)C1 ZINC000246574334 388643870 /nfs/dbraw/zinc/64/38/70/388643870.db2.gz OETXZYRPIJZOTF-WDEREUQCSA-N 1 0 241.379 1.813 10 0 BDAERO COC[C@H](C)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246621325 388645865 /nfs/dbraw/zinc/64/58/65/388645865.db2.gz XTGWLWQJAHMTIY-UPJWGTAASA-N 1 0 226.364 1.437 10 0 BDAERO CCC[C@@H](C(=O)N[C@@H](C)[C@@H](C)OC)[NH+](C)C ZINC000190362066 388649038 /nfs/dbraw/zinc/64/90/38/388649038.db2.gz CVXWJGZAMUVRJX-AXFHLTTASA-N 1 0 230.352 1.256 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CCS[C@@H](C)C1 ZINC000249966634 388735354 /nfs/dbraw/zinc/73/53/54/388735354.db2.gz WZRGBMJBPFYPBR-UWVGGRQHSA-N 1 0 203.351 1.706 10 0 BDAERO [NH3+]C1(Cc2ccns2)CCSCC1 ZINC000575452234 388748500 /nfs/dbraw/zinc/74/85/00/388748500.db2.gz ZJVUKCYUEDAARX-UHFFFAOYSA-N 1 0 214.359 1.910 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1[NH2+]C[C@H]2CCC[C@@H]12 ZINC000079016821 388688539 /nfs/dbraw/zinc/68/85/39/388688539.db2.gz NEKNRPZRUGJBHN-OPRDCNLKSA-N 1 0 211.305 1.716 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000248659050 388689467 /nfs/dbraw/zinc/68/94/67/388689467.db2.gz UUBQNIRPYJINNG-YNEHKIRRSA-N 1 0 229.364 1.894 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC000126431595 388696570 /nfs/dbraw/zinc/69/65/70/388696570.db2.gz KKNMMBAQIYLYHM-NWDGAFQWSA-N 1 0 238.375 1.975 10 0 BDAERO Cc1nn(C2CCOCC2)c(C)c1C[NH3+] ZINC000070621596 388698105 /nfs/dbraw/zinc/69/81/05/388698105.db2.gz MEJIIORSRUHHMK-UHFFFAOYSA-N 1 0 209.293 1.310 10 0 BDAERO C[N@@H+]1CCC[C@H]1[C@@](C)(O)c1ccc(O)cc1 ZINC000399817707 388702387 /nfs/dbraw/zinc/70/23/87/388702387.db2.gz NCOJGMWSQHQPRG-STQMWFEESA-N 1 0 221.300 1.694 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000249097548 388708459 /nfs/dbraw/zinc/70/84/59/388708459.db2.gz MNSOPDOFODBEKM-BFHYXJOUSA-N 1 0 242.407 1.977 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](CC[C@H]3CCCO3)C2)cn1 ZINC000249256527 388712372 /nfs/dbraw/zinc/71/23/72/388712372.db2.gz HLANPUBVRCPGOI-TZMCWYRMSA-N 1 0 249.358 1.779 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000226330754 388716349 /nfs/dbraw/zinc/71/63/49/388716349.db2.gz LFANPFXGWNFEHQ-RVMXOQNASA-N 1 0 236.359 1.905 10 0 BDAERO CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)CCO1 ZINC000226433478 388719471 /nfs/dbraw/zinc/71/94/71/388719471.db2.gz GBCUXOBXLUEVMA-YVECIDJPSA-N 1 0 227.348 1.957 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)[C@H]2CC2(C)C)[C@@H](C)C1 ZINC000127348445 388722057 /nfs/dbraw/zinc/72/20/57/388722057.db2.gz IWKLZHVOHDPZSE-TUAOUCFPSA-N 1 0 238.375 1.877 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC1 ZINC000128821143 388796769 /nfs/dbraw/zinc/79/67/69/388796769.db2.gz RMFISTFJBVIRHC-LLVKDONJSA-N 1 0 225.336 1.275 10 0 BDAERO [NH3+]C1CCC(S[C@@H]2CCOC2)CC1 ZINC000575461279 388810873 /nfs/dbraw/zinc/81/08/73/388810873.db2.gz SHQYJMNWXLQDAH-UDNWOFFPSA-N 1 0 201.335 1.778 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)c1cncs1 ZINC000229130394 388833247 /nfs/dbraw/zinc/83/32/47/388833247.db2.gz QOCRXWYLZAQPOU-UEJVZZJDSA-N 1 0 212.318 1.565 10 0 BDAERO CC(C)[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C1CC1 ZINC000129390991 388838093 /nfs/dbraw/zinc/83/80/93/388838093.db2.gz IYNLMKMSBXGNTQ-QWHCGFSZSA-N 1 0 226.364 1.341 10 0 BDAERO c1cc2c(ccnc2N2CC[C@H]3C[NH2+]C[C@H]32)o1 ZINC000232474920 388851384 /nfs/dbraw/zinc/85/13/84/388851384.db2.gz VRNQSCJHOJQAKB-GXSJLCMTSA-N 1 0 229.283 1.626 10 0 BDAERO CC1CC(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000566004602 388981952 /nfs/dbraw/zinc/98/19/52/388981952.db2.gz KWTCXACDTYYWSN-NPBHJFFNSA-N 1 0 236.359 1.618 10 0 BDAERO Cn1nc(Br)cc1[C@@H]1[NH2+]CC1(C)C ZINC000575501697 388990297 /nfs/dbraw/zinc/99/02/97/388990297.db2.gz DRCZYMAZUNUHMK-QMMMGPOBSA-N 1 0 244.136 1.853 10 0 BDAERO CC(C)=CC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000264285416 388991192 /nfs/dbraw/zinc/99/11/92/388991192.db2.gz UZJITMRNZCITOQ-LLVKDONJSA-N 1 0 210.321 1.363 10 0 BDAERO CC1(C)CSC[C@@]2(C[C@H]([NH3+])CO2)C1 ZINC000575508525 389001839 /nfs/dbraw/zinc/00/18/39/389001839.db2.gz NDEILPBTWWDJBD-WCBMZHEXSA-N 1 0 201.335 1.636 10 0 BDAERO [NH3+]Cc1c(F)cccc1N1CCCCC1=O ZINC000036158724 132340376 /nfs/dbraw/zinc/34/03/76/132340376.db2.gz OGOGXARNVOTWJQ-UHFFFAOYSA-N 1 0 222.263 1.801 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N1CCSc2ccccc21 ZINC000040855028 132348678 /nfs/dbraw/zinc/34/86/78/132348678.db2.gz FIPKBHSPLYMHMC-SECBINFHSA-N 1 0 236.340 1.863 10 0 BDAERO COc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)n1 ZINC000401928880 533486736 /nfs/dbraw/zinc/48/67/36/533486736.db2.gz AZUXLGZARNHOGG-JQWIXIFHSA-N 1 0 236.315 1.293 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2CC(O)C2)[C@H]2CCO[C@@H]21 ZINC000084447565 322835966 /nfs/dbraw/zinc/83/59/66/322835966.db2.gz JGTVTKGEEWAMKP-IVVCIIHESA-N 1 0 225.332 1.160 10 0 BDAERO Cc1nccnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000290446226 132217151 /nfs/dbraw/zinc/21/71/51/132217151.db2.gz CPKHWMJNNQNBIA-GFCCVEGCSA-N 1 0 232.331 1.460 10 0 BDAERO Cc1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000172408545 132290632 /nfs/dbraw/zinc/29/06/32/132290632.db2.gz OPTSASRPRHUAMJ-LLVKDONJSA-N 1 0 218.304 1.069 10 0 BDAERO C[C@@H]1NC(=[NH2+])NC(=N)N1c1cccc(Cl)c1 ZINC000013488367 132293095 /nfs/dbraw/zinc/29/30/95/132293095.db2.gz CXDXEQLVIUNPDR-ZCFIWIBFSA-N 1 0 237.694 1.135 10 0 BDAERO Cc1cc(N2CCC([NH3+])CC2)nc(Cl)n1 ZINC000073734808 132303549 /nfs/dbraw/zinc/30/35/49/132303549.db2.gz WURGPCDAZKYNPN-UHFFFAOYSA-N 1 0 226.711 1.366 10 0 BDAERO Cc1cccc2c1N(C)C[C@@H](C1=[NH+]CCN1)O2 ZINC000013518739 132322052 /nfs/dbraw/zinc/32/20/52/132322052.db2.gz TZBSYCKGTLRGAL-NSHDSACASA-N 1 0 231.299 1.194 10 0 BDAERO Cc1cccc(N2CCN([C@@H](C)C[NH3+])CC2)c1 ZINC000019398357 132324672 /nfs/dbraw/zinc/32/46/72/132324672.db2.gz PIUHVUQLZRGYQN-ZDUSSCGKSA-N 1 0 233.359 1.464 10 0 BDAERO C[NH2+]CC(=O)N1c2ccccc2CC[C@H]1C ZINC000019435424 132325107 /nfs/dbraw/zinc/32/51/07/132325107.db2.gz CIQIJECXEZYLDU-SNVBAGLBSA-N 1 0 218.300 1.574 10 0 BDAERO NC(=[NH2+])c1ccnc(N2CCCC[C@@H]2CCO)c1 ZINC000019436175 132325253 /nfs/dbraw/zinc/32/52/53/132325253.db2.gz WZMOBTPUTLEQIX-LLVKDONJSA-N 1 0 248.330 1.107 10 0 BDAERO CC1CCN(c2ncccc2C(N)=[NH2+])CC1 ZINC000019503857 132325694 /nfs/dbraw/zinc/32/56/94/132325694.db2.gz VAKHSJPPBLONPW-UHFFFAOYSA-N 1 0 218.304 1.602 10 0 BDAERO C[C@H](C[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000019779173 132327296 /nfs/dbraw/zinc/32/72/96/132327296.db2.gz OWLGCAZZWKUNCS-LLVKDONJSA-N 1 0 237.322 1.295 10 0 BDAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCC(O)CC1 ZINC000019872573 132328605 /nfs/dbraw/zinc/32/86/05/132328605.db2.gz POSSBUNEODPQTG-SECBINFHSA-N 1 0 238.306 1.807 10 0 BDAERO Fc1cccc2nc(N3CC[NH2+]CC3)cnc12 ZINC000025967765 132333269 /nfs/dbraw/zinc/33/32/69/132333269.db2.gz CTGIFZVUWYHKBU-UHFFFAOYSA-N 1 0 232.262 1.179 10 0 BDAERO C[C@H]1C[C@H](C)CN(c2ncccc2C(N)=[NH2+])C1 ZINC000034717521 132336761 /nfs/dbraw/zinc/33/67/61/132336761.db2.gz SSRAZEKDUCCUGA-UWVGGRQHSA-N 1 0 232.331 1.848 10 0 BDAERO C[C@@H](O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000035119657 132337618 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235.306 1.262 10 0 BDAERO Cn1ccs/c1=N\C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261688255 135245751 /nfs/dbraw/zinc/24/57/51/135245751.db2.gz HJPYTSTVVVAMPQ-SMEOSRJESA-N 1 0 239.344 1.031 10 0 BDAERO CC[C@@H](C)c1cc(C(=O)NC[C@@H](C)[NH2+]C)on1 ZINC000261723958 135248513 /nfs/dbraw/zinc/24/85/13/135248513.db2.gz KZYDUXROCDSAED-RKDXNWHRSA-N 1 0 239.319 1.526 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)[C@H](C[NH3+])C1 ZINC000261799791 135254812 /nfs/dbraw/zinc/25/48/12/135254812.db2.gz MNEGRLSRACZHHJ-LPTSXCQYSA-N 1 0 236.359 1.618 10 0 BDAERO O=C([C@H]1C[C@H]1C1CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261833054 135256277 /nfs/dbraw/zinc/25/62/77/135256277.db2.gz OYWAOVPWWUTLOU-CRWXNKLISA-N 1 0 248.370 1.491 10 0 BDAERO CC(C)c1nnc(CNC(=O)C[C@@H](C)[NH3+])s1 ZINC000261869126 135257953 /nfs/dbraw/zinc/25/79/53/135257953.db2.gz QJCFFTNSSZCZRX-SSDOTTSWSA-N 1 0 242.348 1.015 10 0 BDAERO C1C[C@@H]2C[NH2+]C[C@]2(c2nc([C@H]3CCOC3)no2)C1 ZINC000261876967 135259351 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ZINC000262208719 135290278 /nfs/dbraw/zinc/29/02/78/135290278.db2.gz INAGTOLUOXMHNJ-LLVKDONJSA-N 1 0 224.348 1.491 10 0 BDAERO CC(C)(C)CCCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262463219 135301133 /nfs/dbraw/zinc/30/11/33/135301133.db2.gz GAGPNJJRWRVZRM-MNOVXSKESA-N 1 0 242.363 1.042 10 0 BDAERO C[N@H+](CC[C@H]1CCCO1)CC1CC(O)C1 ZINC000084453973 135321421 /nfs/dbraw/zinc/32/14/21/135321421.db2.gz DEHHJEBVDPVRHY-HTAVTVPLSA-N 1 0 213.321 1.258 10 0 BDAERO CC(C)CCOCC[N@H+](C)CC1CC(O)C1 ZINC000084453687 135327762 /nfs/dbraw/zinc/32/77/62/135327762.db2.gz PCJKJSXBKFDKAH-UHFFFAOYSA-N 1 0 229.364 1.752 10 0 BDAERO C[C@@H]([C@H](C)NC(=O)C1C[NH2+]C1)C1CCCCC1 ZINC000263306934 135345729 /nfs/dbraw/zinc/34/57/29/135345729.db2.gz OMYFPCAGBGYVIR-QWRGUYRKSA-N 1 0 238.375 1.927 10 0 BDAERO CCS[C@@H]1CCC[C@@H](NC(=O)C2C[NH2+]C2)C1 ZINC000263341381 135348075 /nfs/dbraw/zinc/34/80/75/135348075.db2.gz XPHWXKBDKTULTH-GHMZBOCLSA-N 1 0 242.388 1.386 10 0 BDAERO CCc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)nc1 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CC(C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113575470 136014558 /nfs/dbraw/zinc/01/45/58/136014558.db2.gz HOYJBNCSTGJNOX-WDEREUQCSA-N 1 0 225.336 1.273 10 0 BDAERO FC(F)(F)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335344316 136065633 /nfs/dbraw/zinc/06/56/33/136065633.db2.gz BRGAVPGDUIXHOB-SNVBAGLBSA-N 1 0 236.281 1.870 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(O)cc1 ZINC000335595249 136104674 /nfs/dbraw/zinc/10/46/74/136104674.db2.gz ACRYCGKDQRSLMS-SKDRFNHKSA-N 1 0 234.299 1.719 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(O)cc1 ZINC000335595247 136104835 /nfs/dbraw/zinc/10/48/35/136104835.db2.gz ACRYCGKDQRSLMS-CABZTGNLSA-N 1 0 234.299 1.719 10 0 BDAERO C[C@@H](C[NH3+])Nc1ccc(C(F)(F)F)cn1 ZINC000082576130 322861073 /nfs/dbraw/zinc/86/10/73/322861073.db2.gz ITDXQRWCTIBBMU-LURJTMIESA-N 1 0 219.210 1.860 10 0 BDAERO CSCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000381814144 397773929 /nfs/dbraw/zinc/77/39/29/397773929.db2.gz IQASDYCWNXRCKX-SNVBAGLBSA-N 1 0 230.377 1.245 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CN(c2ccc(Cl)cn2)CCO1 ZINC000169206230 397810729 /nfs/dbraw/zinc/81/07/29/397810729.db2.gz MCWFCRYPYYUOGM-PSASIEDQSA-N 1 0 241.722 1.287 10 0 BDAERO CC(C)C[C@H](C)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000300887888 397780639 /nfs/dbraw/zinc/78/06/39/397780639.db2.gz JNWGTOHGCDKORD-NWDGAFQWSA-N 1 0 215.337 1.362 10 0 BDAERO CCOCCN1CC[N@@H+](C(C)C)C[C@@H]1C ZINC000105914248 397786623 /nfs/dbraw/zinc/78/66/23/397786623.db2.gz WBWOPFWPCDXOLO-LBPRGKRZSA-N 1 0 214.353 1.437 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncncc2Cl)C1 ZINC000382447816 397949389 /nfs/dbraw/zinc/94/93/89/397949389.db2.gz KOEVEWIVBDJBGV-HTQZYQBOSA-N 1 0 226.711 1.669 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000336722833 397915495 /nfs/dbraw/zinc/91/54/95/397915495.db2.gz TVTNNVULMUIRJV-WCQYABFASA-N 1 0 237.347 1.718 10 0 BDAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC=O ZINC000306986702 397963535 /nfs/dbraw/zinc/96/35/35/397963535.db2.gz XTWUMGSWSFFBIE-AAEUAGOBSA-N 1 0 218.300 1.253 10 0 BDAERO [NH3+]C1(Cc2cncc(Br)c2)COC1 ZINC000575467471 397992517 /nfs/dbraw/zinc/99/25/17/397992517.db2.gz RDMLIZGLLHQSEH-UHFFFAOYSA-N 1 0 243.104 1.114 10 0 BDAERO C#[N+][C@H](C(=O)OC)c1ccc([N+](=O)[O-])cc1 ZINC000060149552 398045541 /nfs/dbraw/zinc/04/55/41/398045541.db2.gz QTSFMCCDOZDCPK-VIFPVBQESA-N 1 0 220.184 1.728 10 0 BDAERO CNNc1cc(Cl)nc(C(C)C)[nH+]1 ZINC000575597958 398015500 /nfs/dbraw/zinc/01/55/00/398015500.db2.gz SBFNCJHDVRXUIP-UHFFFAOYSA-N 1 0 200.673 1.800 10 0 BDAERO C[C@H]1CN(c2nc(Cl)cs2)C[C@H]1[NH3+] ZINC000300050432 398023858 /nfs/dbraw/zinc/02/38/58/398023858.db2.gz ZSDDJMDEVDOIBH-NTSWFWBYSA-N 1 0 217.725 1.580 10 0 BDAERO COC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000383678445 398034852 /nfs/dbraw/zinc/03/48/52/398034852.db2.gz NXVQSEBDJXPOMX-MGPQQGTHSA-N 1 0 241.375 1.896 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2cnc(OC)s2)C1 ZINC000389151645 398038211 /nfs/dbraw/zinc/03/82/11/398038211.db2.gz JRGDYRJHGAQVJO-SECBINFHSA-N 1 0 241.360 1.336 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C[C@H](C)O1 ZINC000648450054 398052123 /nfs/dbraw/zinc/05/21/23/398052123.db2.gz OYHDREUIJFLCAK-NOOOWODRSA-N 1 0 229.364 1.939 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1nc(C(C)C)ns1 ZINC000083672549 398102068 /nfs/dbraw/zinc/10/20/68/398102068.db2.gz FIFHJUMTPBOFBF-SECBINFHSA-N 1 0 240.376 1.850 10 0 BDAERO Cc1cc(C)c(O)c(NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000384824447 398107685 /nfs/dbraw/zinc/10/76/85/398107685.db2.gz UGOUEVCDJNYVAI-SECBINFHSA-N 1 0 220.272 1.309 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)[C@H](C)O1 ZINC000384882923 398115419 /nfs/dbraw/zinc/11/54/19/398115419.db2.gz KEWKSZCBNIEOSE-KXNHARMFSA-N 1 0 240.347 1.201 10 0 BDAERO Cc1nc(C)c(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)o1 ZINC000650330380 398116627 /nfs/dbraw/zinc/11/66/27/398116627.db2.gz CGHLWFIVENVZLV-LDYMZIIASA-N 1 0 224.304 1.494 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCn1cccn1 ZINC000245414515 398115248 /nfs/dbraw/zinc/11/52/48/398115248.db2.gz CKICVFIVNHGTFI-KGLIPLIRSA-N 1 0 248.374 1.442 10 0 BDAERO Cc1cnccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000528517579 398124310 /nfs/dbraw/zinc/12/43/10/398124310.db2.gz ASHVUEMDGSMXQP-SOUVJXGZSA-N 1 0 246.354 1.983 10 0 BDAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)CC(C)(C)O ZINC000389716588 398127383 /nfs/dbraw/zinc/12/73/83/398127383.db2.gz ODPMHXOUXPPGJY-WDEREUQCSA-N 1 0 215.337 1.240 10 0 BDAERO CC[C@@H]1C[C@@]2(CO1)[NH2+]C[C@H](C)CS2 ZINC000575507365 398130177 /nfs/dbraw/zinc/13/01/77/398130177.db2.gz DWYNPQHEGXQLMR-IVZWLZJFSA-N 1 0 201.335 1.854 10 0 BDAERO CC(C)NC(=O)CCN1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000104157710 167041800 /nfs/dbraw/zinc/04/18/00/167041800.db2.gz XRTLYMYZMJMFEA-NWDGAFQWSA-N 1 0 241.379 1.103 10 0 BDAERO CC(C)NC(=O)[C@@H](CCC[NH3+])C(C)C ZINC000076582870 167082628 /nfs/dbraw/zinc/08/26/28/167082628.db2.gz QKCOKKOIFNXJRH-JTQLQIEISA-N 1 0 200.326 1.522 10 0 BDAERO CC(C)[NH2+]CCN1CCO[C@H]2CCCC[C@@H]21 ZINC000043427167 167105547 /nfs/dbraw/zinc/10/55/47/167105547.db2.gz XTWUAUZSLFENHK-STQMWFEESA-N 1 0 226.364 1.628 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1ncnc2c1CCCC2 ZINC000094872882 487562301 /nfs/dbraw/zinc/56/23/01/487562301.db2.gz KVVSKMQEYFCBRM-LLVKDONJSA-N 1 0 246.358 1.544 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324251897 487564272 /nfs/dbraw/zinc/56/42/72/487564272.db2.gz DTJINNJWJJOECS-RYUDHWBXSA-N 1 0 247.379 1.161 10 0 BDAERO CC(C)OC(=O)N[C@@H](C[NH3+])Cc1ccccc1 ZINC000104320645 167164061 /nfs/dbraw/zinc/16/40/61/167164061.db2.gz XEVYHBGJTFRKHU-GFCCVEGCSA-N 1 0 236.315 1.691 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094956264 487564955 /nfs/dbraw/zinc/56/49/55/487564955.db2.gz BHPHARNZULCOEB-VHSXEESVSA-N 1 0 238.306 1.919 10 0 BDAERO CCOc1cc(N[C@@H](C)CCC[NH3+])nc(C)n1 ZINC000094948092 487565116 /nfs/dbraw/zinc/56/51/16/487565116.db2.gz UCRAKSCGNRFYTP-VIFPVBQESA-N 1 0 238.335 1.723 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000052296052 487580013 /nfs/dbraw/zinc/58/00/13/487580013.db2.gz NHSIEBOJBOFMSE-KCJUWKMLSA-N 1 0 219.288 1.675 10 0 BDAERO CC(C)OCCOc1ccc2c(c1)OC[C@H]2[NH3+] ZINC000062803502 167248616 /nfs/dbraw/zinc/24/86/16/167248616.db2.gz GINPAOZCZJTTMD-GFCCVEGCSA-N 1 0 237.299 1.883 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308824563 167254531 /nfs/dbraw/zinc/25/45/31/167254531.db2.gz DGOCFGCKDMIUCU-GHMZBOCLSA-N 1 0 217.353 1.797 10 0 BDAERO COc1cccnc1NC1CCC([NH3+])CC1 ZINC000160186252 487595291 /nfs/dbraw/zinc/59/52/91/487595291.db2.gz BALIWMLRJKCJBD-UHFFFAOYSA-N 1 0 221.304 1.772 10 0 BDAERO c1cc2c(ccnc2NCC[NH2+]C2CC2)o1 ZINC000232478313 487596985 /nfs/dbraw/zinc/59/69/85/487596985.db2.gz GVTIQPBDRXLWFG-UHFFFAOYSA-N 1 0 217.272 1.992 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000228220836 487600648 /nfs/dbraw/zinc/60/06/48/487600648.db2.gz ZQTIHKYDUOQQPO-DDHJBXDOSA-N 1 0 224.348 1.761 10 0 BDAERO CC[C@@H](NC(=O)c1ccc(C[NH3+])o1)C(C)C ZINC000087046908 487600622 /nfs/dbraw/zinc/60/06/22/487600622.db2.gz UNWFWUCSSIMZBF-SNVBAGLBSA-N 1 0 224.304 1.903 10 0 BDAERO CCn1ccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000305950585 487604228 /nfs/dbraw/zinc/60/42/28/487604228.db2.gz HEBPKWQDJBYZCA-NXEZZACHSA-N 1 0 236.319 1.230 10 0 BDAERO COC(C)(C)CN(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000404241899 322921926 /nfs/dbraw/zinc/92/19/26/322921926.db2.gz PZWXEPZDABOGGZ-ZDUSSCGKSA-N 1 0 242.363 1.402 10 0 BDAERO CC(C)S(=O)(=O)Nc1cccc(C[NH3+])c1 ZINC000037657162 167319747 /nfs/dbraw/zinc/31/97/47/167319747.db2.gz QHADKUQGKRIWTI-UHFFFAOYSA-N 1 0 228.317 1.295 10 0 BDAERO CO[C@H](CN[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000662264343 409561884 /nfs/dbraw/zinc/56/18/84/409561884.db2.gz JELOKKDCRRKWCN-NWDGAFQWSA-N 1 0 212.337 1.143 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H]1CCS[C@H]1C ZINC000308506218 409767653 /nfs/dbraw/zinc/76/76/53/409767653.db2.gz FNMOTMZDBASBBH-CIUDSAMLSA-N 1 0 216.350 1.124 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@]1(C)CC1(F)F ZINC000662665339 409825877 /nfs/dbraw/zinc/82/58/77/409825877.db2.gz HZWYPEDYDDCJKJ-WPRPVWTQSA-N 1 0 234.290 1.521 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000662665662 409826531 /nfs/dbraw/zinc/82/65/31/409826531.db2.gz HQNPEQPRHAYDRC-VWYCJHECSA-N 1 0 228.336 1.188 10 0 BDAERO [NH3+]Cc1ccncc1OCC1CCOCC1 ZINC000135577518 409994901 /nfs/dbraw/zinc/99/49/01/409994901.db2.gz GELKKWSUNMADET-UHFFFAOYSA-N 1 0 222.288 1.346 10 0 BDAERO CO[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000662835460 409946741 /nfs/dbraw/zinc/94/67/41/409946741.db2.gz OTKSQLGOVSQJFE-IJLUTSLNSA-N 1 0 240.347 1.141 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C)o1 ZINC000053038430 409949147 /nfs/dbraw/zinc/94/91/47/409949147.db2.gz YBRIMMICFBBGTO-GZMMTYOYSA-N 1 0 224.304 1.578 10 0 BDAERO Brc1cc([C@H]2CC[NH2+]C2)ccn1 ZINC000044121907 166096419 /nfs/dbraw/zinc/09/64/19/166096419.db2.gz YZZJENGLGSZDTB-QMMMGPOBSA-N 1 0 227.105 1.921 10 0 BDAERO Brc1cccc(CC2=[NH+]CCN2)c1 ZINC000071549247 166101734 /nfs/dbraw/zinc/10/17/34/166101734.db2.gz BIDCSAOYVORRHR-UHFFFAOYSA-N 1 0 239.116 1.993 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CC=CCC1 ZINC000309045927 410209366 /nfs/dbraw/zinc/20/93/66/410209366.db2.gz NBDADSHVSQNTFQ-OUAUKWLOSA-N 1 0 208.305 1.291 10 0 BDAERO COCc1noc(C2CCC([NH3+])CC2)n1 ZINC000049671992 410250864 /nfs/dbraw/zinc/25/08/64/410250864.db2.gz NSOINEAPYGKAKQ-UHFFFAOYSA-N 1 0 211.265 1.201 10 0 BDAERO CCC(CC)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000128366052 410268250 /nfs/dbraw/zinc/26/82/50/410268250.db2.gz PLGBDYCYDLJSLI-UHFFFAOYSA-N 1 0 210.325 1.908 10 0 BDAERO Brc1cnn(C[C@H]2CCCC[NH2+]2)c1 ZINC000043494354 166106709 /nfs/dbraw/zinc/10/67/09/166106709.db2.gz XXIMYXNSLKBBMI-SECBINFHSA-N 1 0 244.136 1.788 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000393214333 410312797 /nfs/dbraw/zinc/31/27/97/410312797.db2.gz KVOISLRLTIUTLP-HBNTYKKESA-N 1 0 205.305 1.996 10 0 BDAERO CCN(CC)C(=O)C[C@@H](C[NH3+])C(C)C ZINC000076582844 169750735 /nfs/dbraw/zinc/75/07/35/169750735.db2.gz ARIILALYOSKMIB-JTQLQIEISA-N 1 0 200.326 1.476 10 0 BDAERO CCN(CC)C(=O)[C@H](CC[NH3+])C(C)C ZINC000076582798 169758330 /nfs/dbraw/zinc/75/83/30/169758330.db2.gz NWKDTEAJOIWYNG-SNVBAGLBSA-N 1 0 200.326 1.476 10 0 BDAERO CC(C)(C)NC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055145187 166624021 /nfs/dbraw/zinc/62/40/21/166624021.db2.gz ULGRRAPUNKOUDK-NXEZZACHSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)(C)[NH2+]CCC(=O)NCC[C@@H]1CCCO1 ZINC000038096961 166630135 /nfs/dbraw/zinc/63/01/35/166630135.db2.gz KKFGVYJPCMDHKH-NSHDSACASA-N 1 0 242.363 1.450 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000076675060 166668700 /nfs/dbraw/zinc/66/87/00/166668700.db2.gz ZTYHUAXVYVXWGS-JOYOIKCWSA-N 1 0 226.320 1.653 10 0 BDAERO CCN1CC[C@H]([NH2+]CC2(COC)CCC2)C1 ZINC000393376702 410679573 /nfs/dbraw/zinc/67/95/73/410679573.db2.gz LVSJIHIQXMLOAO-LBPRGKRZSA-N 1 0 226.364 1.487 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCSC1 ZINC000393728937 410755179 /nfs/dbraw/zinc/75/51/79/410755179.db2.gz DJHKDMBTAXDFNQ-GRYCIOLGSA-N 1 0 229.389 1.975 10 0 BDAERO CC(C)C[NH2+]CCN(C)CCc1ccncc1 ZINC000052483068 167004178 /nfs/dbraw/zinc/00/41/78/167004178.db2.gz HTNCOYKVJJXYAI-UHFFFAOYSA-N 1 0 235.375 1.802 10 0 BDAERO CC(C)C[NH2+]CCOC(=O)c1cccc(N)c1 ZINC000001672766 167004837 /nfs/dbraw/zinc/00/48/37/167004837.db2.gz BXMFKNRZTLNAFY-UHFFFAOYSA-N 1 0 236.315 1.671 10 0 in-man BDAERO CC(C)C[NH2+]C[C@H]1CCCN1c1nccn1C ZINC000053697411 167008271 /nfs/dbraw/zinc/00/82/71/167008271.db2.gz WKFPAWWGJAMVJS-GFCCVEGCSA-N 1 0 236.363 1.635 10 0 BDAERO CC(C)C[NH2+]Cc1nnnn1[C@H]1CCC[C@H]1C ZINC000071209505 167010554 /nfs/dbraw/zinc/01/05/54/167010554.db2.gz RZHFFSONQBXFKG-MNOVXSKESA-N 1 0 237.351 1.780 10 0 BDAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCC[C@H](C)C1 ZINC000037946108 167013177 /nfs/dbraw/zinc/01/31/77/167013177.db2.gz XJHRORSQWCYRIO-JQWIXIFHSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccncc2)[C@@H](C)C1 ZINC000155813891 167033180 /nfs/dbraw/zinc/03/31/80/167033180.db2.gz CHAGOYZSQXUIHT-AAEUAGOBSA-N 1 0 247.342 1.540 10 0 BDAERO CC(C)NC(=O)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009954 167058650 /nfs/dbraw/zinc/05/86/50/167058650.db2.gz MAKXQEZSNASUFQ-LBPRGKRZSA-N 1 0 248.326 1.104 10 0 BDAERO CC(C)NC(=O)COc1cccc(CC[NH3+])c1 ZINC000037721253 167063106 /nfs/dbraw/zinc/06/31/06/167063106.db2.gz KCXHEGGVOWOPPB-UHFFFAOYSA-N 1 0 236.315 1.091 10 0 BDAERO CC(C)NC(=O)Nc1ccc(C[NH3+])cn1 ZINC000051953375 167077986 /nfs/dbraw/zinc/07/79/86/167077986.db2.gz WMQGGIYHYRTSLH-UHFFFAOYSA-N 1 0 208.265 1.070 10 0 BDAERO CC(C)NC(=O)c1c(N)sc2c1CC[NH2+]C2 ZINC000036673700 167085173 /nfs/dbraw/zinc/08/51/73/167085173.db2.gz WHYFPDDQLBPBNE-UHFFFAOYSA-N 1 0 239.344 1.114 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1CCOCC1(C)C ZINC000042463027 167100738 /nfs/dbraw/zinc/10/07/38/167100738.db2.gz FVBUMFXWWOQCDJ-UHFFFAOYSA-N 1 0 228.336 1.012 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)COc1cccc2c1CCC2 ZINC000005760543 167110958 /nfs/dbraw/zinc/11/09/58/167110958.db2.gz GZDBSFAQFPWZFV-CYBMUJFWSA-N 1 0 249.354 1.913 10 0 BDAERO CC(C)[NH2+]C[C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951308 167112016 /nfs/dbraw/zinc/11/20/16/167112016.db2.gz HGCVIDXEWUXXBX-NXEZZACHSA-N 1 0 219.350 1.055 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000053694377 167113792 /nfs/dbraw/zinc/11/37/92/167113792.db2.gz JBJWSSOECUWBQD-NSHDSACASA-N 1 0 220.320 1.443 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN1c1ncccn1 ZINC000053693956 167113890 /nfs/dbraw/zinc/11/38/90/167113890.db2.gz XZDKJXNSYUNICT-NSHDSACASA-N 1 0 220.320 1.443 10 0 BDAERO CC(C)[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000032014430 167114467 /nfs/dbraw/zinc/11/44/67/167114467.db2.gz YWEBTJRVGXLRHO-JTQLQIEISA-N 1 0 223.272 1.447 10 0 BDAERO CC(C)[NH2+]C[C@H]1CC12CCS(=O)(=O)CC2 ZINC000054595399 167115728 /nfs/dbraw/zinc/11/57/28/167115728.db2.gz BCHBAUVIBVPERM-SNVBAGLBSA-N 1 0 231.361 1.199 10 0 BDAERO CC(C)[NH2+]C[C@]1(C[C@H]2CCCO2)CCOC1 ZINC000054665107 167116669 /nfs/dbraw/zinc/11/66/69/167116669.db2.gz QGJCNAJLJSAEHW-CHWSQXEVSA-N 1 0 227.348 1.960 10 0 BDAERO CC(C)[NH2+]Cc1cccc(-n2cccn2)n1 ZINC000051488993 167118964 /nfs/dbraw/zinc/11/89/64/167118964.db2.gz CXNIIFFWFQTJAT-UHFFFAOYSA-N 1 0 216.288 1.765 10 0 BDAERO CC(C)[NH2+]Cc1nnnn1C1(C)CCCCC1 ZINC000054747639 167122692 /nfs/dbraw/zinc/12/26/92/167122692.db2.gz IUPQPEXPPZLABN-UHFFFAOYSA-N 1 0 237.351 1.850 10 0 BDAERO CC(C)OC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044528768 167163451 /nfs/dbraw/zinc/16/34/51/167163451.db2.gz KZEXDCKTGHOYCG-SECBINFHSA-N 1 0 200.282 1.202 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000061884476 167163749 /nfs/dbraw/zinc/16/37/49/167163749.db2.gz CGFZFMWNPPNIET-RKDXNWHRSA-N 1 0 200.282 1.248 10 0 BDAERO CC(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000044240716 167164445 /nfs/dbraw/zinc/16/44/45/167164445.db2.gz ZUZIJCKUZCOJPB-PBINXNQUSA-N 1 0 212.293 1.486 10 0 BDAERO CC[NH+](CC)CCOc1ccccc1C(N)=O ZINC000002000347 169783193 /nfs/dbraw/zinc/78/31/93/169783193.db2.gz BXYSYNMVKLPCML-UHFFFAOYSA-N 1 0 236.315 1.506 10 0 BDAERO CC(C)Oc1ccc(NC[C@@H](O)C[NH3+])cc1 ZINC000071531774 167296817 /nfs/dbraw/zinc/29/68/17/167296817.db2.gz PMNTYBDDAJQXOL-NSHDSACASA-N 1 0 224.304 1.205 10 0 BDAERO CC(C)Oc1ccc([C@@H]([NH2+]C2CC2)C(N)=O)cc1 ZINC000037895059 167298304 /nfs/dbraw/zinc/29/83/04/167298304.db2.gz OJKJTVHFMQIELI-CYBMUJFWSA-N 1 0 248.326 1.752 10 0 BDAERO CC(C)S(=O)(=O)C1CCC([NH3+])CC1 ZINC000055143935 167315998 /nfs/dbraw/zinc/31/59/98/167315998.db2.gz ZMTORICRSZZXFX-UHFFFAOYSA-N 1 0 205.323 1.080 10 0 BDAERO CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCOC1 ZINC000049308163 167372903 /nfs/dbraw/zinc/37/29/03/167372903.db2.gz YXXTVPQCUIDJND-NEPJUHHUSA-N 1 0 242.363 1.163 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000398098474 410942404 /nfs/dbraw/zinc/94/24/04/410942404.db2.gz VXFBJHIDECHRER-UPJWGTAASA-N 1 0 245.363 1.321 10 0 BDAERO C[C@@H](CCO)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000397717783 410932084 /nfs/dbraw/zinc/93/20/84/410932084.db2.gz UENHDIKJIWGNOV-GHMZBOCLSA-N 1 0 217.353 1.392 10 0 BDAERO CC(C)[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000019969609 167422029 /nfs/dbraw/zinc/42/20/29/167422029.db2.gz NYKQPHRTOUJCEF-GFCCVEGCSA-N 1 0 204.273 1.837 10 0 BDAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(N)=O ZINC000035708283 167482639 /nfs/dbraw/zinc/48/26/39/167482639.db2.gz HZGOYRYWCVFNDO-GMTAPVOTSA-N 1 0 212.337 1.522 10 0 BDAERO CN1CCC[C@@H]1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398795008 410990488 /nfs/dbraw/zinc/99/04/88/410990488.db2.gz PAEXZCWWPNESBP-FQUUOJAGSA-N 1 0 238.375 1.173 10 0 BDAERO CC(C)c1ccc(OC[C@@H](O)CC(N)=[NH2+])cc1 ZINC000040539148 167608894 /nfs/dbraw/zinc/60/88/94/167608894.db2.gz KZNRDPNBCALBSW-NSHDSACASA-N 1 0 236.315 1.876 10 0 BDAERO CN(CC[NH3+])c1nc2cccc(F)c2o1 ZINC000107207775 411132771 /nfs/dbraw/zinc/13/27/71/411132771.db2.gz QLANTMNYVGATDG-UHFFFAOYSA-N 1 0 209.224 1.362 10 0 BDAERO CC[C@H](NC(=O)C(C)(C)C[NH3+])C(C)C ZINC000044752033 411140417 /nfs/dbraw/zinc/14/04/17/411140417.db2.gz SHAMMPTWEDRXHH-VIFPVBQESA-N 1 0 200.326 1.522 10 0 BDAERO c1nc2c(c(NC[C@@H]3CCC[NH2+]3)n1)CCC2 ZINC000061277726 411156060 /nfs/dbraw/zinc/15/60/60/411156060.db2.gz UGBNVTCZZCNGRE-VIFPVBQESA-N 1 0 218.304 1.129 10 0 BDAERO CCC[C@H](N)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000309515106 411157732 /nfs/dbraw/zinc/15/77/32/411157732.db2.gz YLAUFDHSQWEDKO-JGVFFNPUSA-N 1 0 210.281 1.294 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000309519202 411159966 /nfs/dbraw/zinc/15/99/66/411159966.db2.gz SURCSFCRAYYDQF-YIYTYNFBSA-N 1 0 210.321 1.289 10 0 BDAERO CC(C)c1ncc(N(C)C)c(C[NH2+]C2CC2)n1 ZINC000051436901 167685876 /nfs/dbraw/zinc/68/58/76/167685876.db2.gz LAJHPYUHNFQCGW-UHFFFAOYSA-N 1 0 234.347 1.918 10 0 BDAERO COc1ccc2c(c1)CN(C(=O)[C@H]1CC[NH2+]C1)C2 ZINC000655502294 411112116 /nfs/dbraw/zinc/11/21/16/411112116.db2.gz HMYKCWHLEKCGIS-JTQLQIEISA-N 1 0 246.310 1.147 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@H]2C)o1 ZINC000300713245 411125660 /nfs/dbraw/zinc/12/56/60/411125660.db2.gz WICFEQQPIBBMAD-LPEHRKFASA-N 1 0 237.303 1.158 10 0 BDAERO COC[C@@H](C)[NH2+]CC(=O)NC1CCCCCC1 ZINC000047980117 411170713 /nfs/dbraw/zinc/17/07/13/411170713.db2.gz FBZLZPYYNVNNSN-LLVKDONJSA-N 1 0 242.363 1.450 10 0 BDAERO CN(CCC1CC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000309557725 411171338 /nfs/dbraw/zinc/17/13/38/411171338.db2.gz NDNHTQJTLAFZMO-RYUDHWBXSA-N 1 0 224.348 1.620 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCOCC1 ZINC000309560037 411171515 /nfs/dbraw/zinc/17/15/15/411171515.db2.gz OEIFEUKWKMTCAD-MNOVXSKESA-N 1 0 228.336 1.045 10 0 BDAERO CCC(CC)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128850334 411248257 /nfs/dbraw/zinc/24/82/57/411248257.db2.gz PBDVSIDRWWKYPY-SNVBAGLBSA-N 1 0 200.326 1.665 10 0 BDAERO Cc1n[nH]c(C)c1NC(=O)C[C@H]([NH3+])C(C)C ZINC000128924850 411189385 /nfs/dbraw/zinc/18/93/85/411189385.db2.gz NHAHWWJDVCYNBH-VIFPVBQESA-N 1 0 224.308 1.338 10 0 BDAERO CCn1cc(NC(=O)C[C@H]([NH3+])C(C)C)cn1 ZINC000128922175 411189954 /nfs/dbraw/zinc/18/99/54/411189954.db2.gz FGBUZLAXLDJYRB-JTQLQIEISA-N 1 0 224.308 1.215 10 0 BDAERO CC(C)(O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812271 411190675 /nfs/dbraw/zinc/19/06/75/411190675.db2.gz HBHNLOZXMLOKHO-LBPRGKRZSA-N 1 0 227.348 1.791 10 0 BDAERO Cc1csc(CNC(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000128970907 411193432 /nfs/dbraw/zinc/19/34/32/411193432.db2.gz XZHFQOPFCKUXEJ-SECBINFHSA-N 1 0 241.360 1.441 10 0 BDAERO CCC(CC)(CC)C(=O)NC[C@H](C)[NH2+]C ZINC000310033003 411194717 /nfs/dbraw/zinc/19/47/17/411194717.db2.gz RSLDINNVDYJMEL-JTQLQIEISA-N 1 0 214.353 1.927 10 0 BDAERO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1O ZINC000061882881 411194887 /nfs/dbraw/zinc/19/48/87/411194887.db2.gz IOWVQCMONXRHEW-VXGBXAGGSA-N 1 0 248.326 1.558 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC1(C)CCCC1 ZINC000128998498 411196672 /nfs/dbraw/zinc/19/66/72/411196672.db2.gz STSCGWVLZHRKHA-JTQLQIEISA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCCO1 ZINC000129012729 411198146 /nfs/dbraw/zinc/19/81/46/411198146.db2.gz JDGWLGNEKNXYFV-QWRGUYRKSA-N 1 0 228.336 1.045 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)CCCO1 ZINC000061920266 411199716 /nfs/dbraw/zinc/19/97/16/411199716.db2.gz RUQLKXFKDBCKSO-UNXYVOJBSA-N 1 0 240.347 1.141 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1cscn1 ZINC000129013265 411202754 /nfs/dbraw/zinc/20/27/54/411202754.db2.gz KNSHFBBGKQYRFN-SNVBAGLBSA-N 1 0 241.360 1.475 10 0 BDAERO Cc1ccccc1C1(N[C@@H]2CC[NH2+]C2)CC1 ZINC000215640435 411215516 /nfs/dbraw/zinc/21/55/16/411215516.db2.gz NBNUTZWXAWXYLR-GFCCVEGCSA-N 1 0 216.328 1.936 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000129081746 411218733 /nfs/dbraw/zinc/21/87/33/411218733.db2.gz BPDCORCTBYJPNU-MXWKQRLJSA-N 1 0 244.404 1.712 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCNC2=O)cs1 ZINC000658052491 411220294 /nfs/dbraw/zinc/22/02/94/411220294.db2.gz LLWZHPDSKMHZDC-WCBMZHEXSA-N 1 0 224.329 1.596 10 0 BDAERO O=C1NCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000658055582 411222523 /nfs/dbraw/zinc/22/25/23/411222523.db2.gz QBKMVDOTLIJIPB-WXRRBKDZSA-N 1 0 236.359 1.823 10 0 BDAERO C[C@@H]1CSCCN1C(=O)C1CCC([NH3+])CC1 ZINC000069761906 411222866 /nfs/dbraw/zinc/22/28/66/411222866.db2.gz KONURRGMCZBPGP-KPPDAEKUSA-N 1 0 242.388 1.468 10 0 BDAERO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000049842513 411247429 /nfs/dbraw/zinc/24/74/29/411247429.db2.gz UNEJPBKVGUETPR-MNOVXSKESA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@H](c2c[nH]nc2N)CC1 ZINC000616686953 411239190 /nfs/dbraw/zinc/23/91/90/411239190.db2.gz MUJZCPNXJDSTON-JTQLQIEISA-N 1 0 238.335 1.554 10 0 BDAERO CC(C)C[C@H](C[NH3+])Nc1ncnc2c1CCC2 ZINC000111376994 411167303 /nfs/dbraw/zinc/16/73/03/411167303.db2.gz JAIMWLKMTCWUFM-SNVBAGLBSA-N 1 0 234.347 1.751 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000656702118 411327083 /nfs/dbraw/zinc/32/70/83/411327083.db2.gz LPWBTDKHPDJALL-RYUDHWBXSA-N 1 0 242.407 1.856 10 0 BDAERO CC/C=C(\C)C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049185 167837559 /nfs/dbraw/zinc/83/75/59/167837559.db2.gz BLXAETVRWRSJKW-PRZVWEGYSA-N 1 0 210.321 1.729 10 0 BDAERO [NH3+][C@@]1(c2cccc(Br)c2)C[C@@H](O)C1 ZINC000536958884 411265970 /nfs/dbraw/zinc/26/59/70/411265970.db2.gz HWPOOYUWYKWOCF-AOOOYVTPSA-N 1 0 242.116 1.758 10 0 BDAERO COc1cccnc1NCC1(C)CC[NH2+]CC1 ZINC000129471605 411290171 /nfs/dbraw/zinc/29/01/71/411290171.db2.gz ZXTQYDAPISXOTN-UHFFFAOYSA-N 1 0 235.331 1.892 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)C(C)C ZINC000128890467 411294904 /nfs/dbraw/zinc/29/49/04/411294904.db2.gz ABMQBXISQYKMPN-VHSXEESVSA-N 1 0 200.326 1.521 10 0 BDAERO CO[C@@H](C)c1nsc(N(C)CC(C)(C)[NH3+])n1 ZINC000656608792 411307989 /nfs/dbraw/zinc/30/79/89/411307989.db2.gz MNMSLXWYPCMCGX-ZETCQYMHSA-N 1 0 244.364 1.419 10 0 BDAERO [NH3+]C1(CNc2cn[nH]c(=O)c2Cl)CCCC1 ZINC000656610228 411308489 /nfs/dbraw/zinc/30/84/89/411308489.db2.gz ZJIILAKHAIQOMI-UHFFFAOYSA-N 1 0 242.710 1.519 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ccc(Cl)cn1 ZINC000656609940 411308646 /nfs/dbraw/zinc/30/86/46/411308646.db2.gz WUQWRWBXYQRPIQ-UHFFFAOYSA-N 1 0 213.712 1.909 10 0 BDAERO CCc1csc(N2CC3CC2(C[NH3+])C3)n1 ZINC000656610616 411308994 /nfs/dbraw/zinc/30/89/94/411308994.db2.gz GUOOOTFDEJLBJI-UHFFFAOYSA-N 1 0 223.345 1.633 10 0 BDAERO CN1C[C@H](C[NH2+][C@@H]2CCCC23CCC3)CC1=O ZINC000658240735 411309228 /nfs/dbraw/zinc/30/92/28/411309228.db2.gz JFRQNDSOQNGUNT-NWDGAFQWSA-N 1 0 236.359 1.777 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccoc1 ZINC000658241558 411309541 /nfs/dbraw/zinc/30/95/41/411309541.db2.gz DOYHCWRZSFCPAD-ZJUUUORDSA-N 1 0 222.288 1.409 10 0 BDAERO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCOC1 ZINC000402710183 411309573 /nfs/dbraw/zinc/30/95/73/411309573.db2.gz RXSIUPNAEUSZPU-WOPDTQHZSA-N 1 0 240.347 1.141 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1ncncc1Cl ZINC000656611137 411309722 /nfs/dbraw/zinc/30/97/22/411309722.db2.gz WRNSROWGXIWRDS-UHFFFAOYSA-N 1 0 224.695 1.058 10 0 BDAERO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658244369 411310011 /nfs/dbraw/zinc/31/00/11/411310011.db2.gz SESFGCLLEJGOFT-PWSUYJOCSA-N 1 0 224.348 1.633 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C(C)C ZINC000658246422 411311064 /nfs/dbraw/zinc/31/10/64/411311064.db2.gz ZHSATMSMSLIAJY-MNOVXSKESA-N 1 0 212.337 1.489 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658246417 411311325 /nfs/dbraw/zinc/31/13/25/411311325.db2.gz ZGLJSSISQBAKHX-UTUOFQBUSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc2cc[nH]c21 ZINC000310696656 411252503 /nfs/dbraw/zinc/25/25/03/411252503.db2.gz PQFAWEMZUXZERK-SKDRFNHKSA-N 1 0 243.310 1.730 10 0 BDAERO CCCc1nc(Cn2cc(C[NH3+])nn2)cs1 ZINC000050224928 411254489 /nfs/dbraw/zinc/25/44/89/411254489.db2.gz CBKAYEIWBZBPEE-UHFFFAOYSA-N 1 0 237.332 1.194 10 0 BDAERO Cc1cc(C)cc(OCCn2cc(C[NH3+])nn2)c1 ZINC000050224719 411254700 /nfs/dbraw/zinc/25/47/00/411254700.db2.gz KDCWYVSIGVNAPN-UHFFFAOYSA-N 1 0 246.314 1.433 10 0 BDAERO CC1(C)CN(Cc2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000041301271 167957912 /nfs/dbraw/zinc/95/79/12/167957912.db2.gz SYVNBWBSXTWMHV-UHFFFAOYSA-N 1 0 248.326 1.599 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000659871962 411356405 /nfs/dbraw/zinc/35/64/05/411356405.db2.gz YEBFSLIQJMVRQI-WDEREUQCSA-N 1 0 249.301 1.648 10 0 BDAERO C[C@@H]1CCCN(c2ncccn2)[C@@H]1C[NH3+] ZINC000069727414 411359928 /nfs/dbraw/zinc/35/99/28/411359928.db2.gz VQMSVOBVVOKZIH-NXEZZACHSA-N 1 0 206.293 1.040 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403856698 411363328 /nfs/dbraw/zinc/36/33/28/411363328.db2.gz YDFSNKZYDZLBKF-QJPTWQEYSA-N 1 0 240.347 1.012 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@H](CC)OC[C@@H]1CC ZINC000403863783 411363401 /nfs/dbraw/zinc/36/34/01/411363401.db2.gz ZYBBVRNOXCQMEP-SRVKXCTJSA-N 1 0 242.363 1.530 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@H](CC)OC[C@H]1C ZINC000403965977 411369776 /nfs/dbraw/zinc/36/97/76/411369776.db2.gz SVOCXBRBFUMXDR-VWYCJHECSA-N 1 0 228.336 1.140 10 0 BDAERO CC1(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)CCC1 ZINC000302399301 168047298 /nfs/dbraw/zinc/04/72/98/168047298.db2.gz JUVRJKKRHMUXFP-NWDGAFQWSA-N 1 0 236.359 1.920 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]CCc1ccoc1 ZINC000656713623 411338392 /nfs/dbraw/zinc/33/83/92/411338392.db2.gz ICIDRBUNHBSILT-CYBMUJFWSA-N 1 0 241.331 1.589 10 0 BDAERO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000658332491 411341009 /nfs/dbraw/zinc/34/10/09/411341009.db2.gz RBSZPBKOAOPSRD-YFVNTRNASA-N 1 0 225.332 1.567 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000069909625 411344015 /nfs/dbraw/zinc/34/40/15/411344015.db2.gz JNHGUJCKZZZKHW-UKKRHICBSA-N 1 0 244.404 1.712 10 0 BDAERO O=C(NC[C@@H]1Cc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000062114214 411346649 /nfs/dbraw/zinc/34/66/49/411346649.db2.gz PRKFQJRPWKLYAY-RYUDHWBXSA-N 1 0 230.311 1.052 10 0 BDAERO O=C(NC[C@H]1Cc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000062114211 411346742 /nfs/dbraw/zinc/34/67/42/411346742.db2.gz PRKFQJRPWKLYAY-VXGBXAGGSA-N 1 0 230.311 1.052 10 0 BDAERO CC(C)(F)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000659361887 411377297 /nfs/dbraw/zinc/37/72/97/411377297.db2.gz SCHQLGFZQOKZNB-VHSXEESVSA-N 1 0 230.327 1.616 10 0 BDAERO CC(C)(F)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000659362500 411377888 /nfs/dbraw/zinc/37/78/88/411377888.db2.gz ZJPHKIBBZOXTQP-JTQLQIEISA-N 1 0 230.327 1.631 10 0 BDAERO CC1CC(=O)N([C@H]2CCCCC[C@H]2[NH3+])C(=O)C1 ZINC000063214992 168139455 /nfs/dbraw/zinc/13/94/55/168139455.db2.gz KJXOORMHYCYULA-MNOVXSKESA-N 1 0 238.331 1.432 10 0 BDAERO CC1CCC(CO)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000053113328 168157077 /nfs/dbraw/zinc/15/70/77/168157077.db2.gz KNHLLSGHKDILOP-CPCZMJQVSA-N 1 0 227.348 1.554 10 0 BDAERO CC1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000037479413 168160670 /nfs/dbraw/zinc/16/06/70/168160670.db2.gz OQEUQUUBKKIUNT-UHFFFAOYSA-N 1 0 224.348 1.953 10 0 BDAERO CC1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000309421207 168164224 /nfs/dbraw/zinc/16/42/24/168164224.db2.gz JWGJZPCPXWONGT-POSLAHMBSA-N 1 0 224.348 1.822 10 0 BDAERO CC1CCN(C(=O)[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000019507264 168176058 /nfs/dbraw/zinc/17/60/58/168176058.db2.gz WSCATESUZYPACG-NEPJUHHUSA-N 1 0 224.348 1.633 10 0 BDAERO CC1CC[NH+](CC(=O)Nc2cccc(N)c2)CC1 ZINC000019775333 168178741 /nfs/dbraw/zinc/17/87/41/168178741.db2.gz SCQRHDXUADYHLZ-UHFFFAOYSA-N 1 0 247.342 1.939 10 0 BDAERO CCC(=O)CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000190222115 168203101 /nfs/dbraw/zinc/20/31/01/168203101.db2.gz NSBKPWCKBCDPJR-LLVKDONJSA-N 1 0 236.319 1.284 10 0 BDAERO CCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000309504245 168220465 /nfs/dbraw/zinc/22/04/65/168220465.db2.gz MOGLQYZQTVFWLC-QWRGUYRKSA-N 1 0 210.321 1.387 10 0 BDAERO CCC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000040809613 168245265 /nfs/dbraw/zinc/24/52/65/168245265.db2.gz JPRQHHCFMFGBLC-MRVPVSSYSA-N 1 0 235.287 1.321 10 0 BDAERO CCC(C)(C)C(=O)N(C)C1CC[NH2+]CC1 ZINC000054403821 168260956 /nfs/dbraw/zinc/26/09/56/168260956.db2.gz CEAIPTWUTVZWFH-UHFFFAOYSA-N 1 0 212.337 1.633 10 0 BDAERO CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037145 168266910 /nfs/dbraw/zinc/26/69/10/168266910.db2.gz HIMSELVGZJNGHH-MNOVXSKESA-N 1 0 226.364 1.927 10 0 BDAERO CCC(C)(C)C1CCC([NH3+])(C(N)=O)CC1 ZINC000037460108 168270357 /nfs/dbraw/zinc/27/03/57/168270357.db2.gz YHCRFRBIJNGDET-UHFFFAOYSA-N 1 0 212.337 1.796 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000052015033 168290576 /nfs/dbraw/zinc/29/05/76/168290576.db2.gz HODGJECTTMKYBP-GHMZBOCLSA-N 1 0 242.363 1.184 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000019435863 168294821 /nfs/dbraw/zinc/29/48/21/168294821.db2.gz QQFFZFTYQPTERE-VHSXEESVSA-N 1 0 212.337 1.822 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019519437 168295197 /nfs/dbraw/zinc/29/51/97/168295197.db2.gz WFPOVBYFVSGAEK-ZJUUUORDSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1CCC2(CC2)CC1 ZINC000659316053 411393154 /nfs/dbraw/zinc/39/31/54/411393154.db2.gz ZLSHBZVSFNTIIJ-ZYHUDNBSSA-N 1 0 236.359 1.905 10 0 BDAERO CC(C)(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)c1ccccc1 ZINC000657060430 411398845 /nfs/dbraw/zinc/39/88/45/411398845.db2.gz RVDQBZMJUKLFTN-GXTWGEPZSA-N 1 0 249.354 1.249 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCC(C)(C)F ZINC000659357975 411401839 /nfs/dbraw/zinc/40/18/39/411401839.db2.gz FCEIVRHNTUTPGV-RKDXNWHRSA-N 1 0 216.300 1.096 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@]1(C)CC1(C)C ZINC000659379739 411406398 /nfs/dbraw/zinc/40/63/98/411406398.db2.gz NNKBYOCZHRKZAU-OUJBWJOFSA-N 1 0 224.348 1.679 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000659379896 411406679 /nfs/dbraw/zinc/40/66/79/411406679.db2.gz RZYGCHBPKQZMRN-CWSCBRNRSA-N 1 0 224.348 1.666 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cccc(CO)c1 ZINC000616637220 411407359 /nfs/dbraw/zinc/40/73/59/411407359.db2.gz JPTOPMOLBJGQER-AWEZNQCLSA-N 1 0 248.370 1.924 10 0 BDAERO CC(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056922 411407706 /nfs/dbraw/zinc/40/77/06/411407706.db2.gz FPCCJZJBFSRXQF-HTQZYQBOSA-N 1 0 238.253 1.157 10 0 BDAERO CCN(CCOC)C(=O)[C@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055139991 169863258 /nfs/dbraw/zinc/86/32/58/169863258.db2.gz JYLHZKHLMJELFT-WOPDTQHZSA-N 1 0 242.363 1.245 10 0 BDAERO COC(=O)[C@@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616687275 411415032 /nfs/dbraw/zinc/41/50/32/411415032.db2.gz RQERWRAEKSNJFK-VIFPVBQESA-N 1 0 215.293 1.049 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCCC(F)(F)C1 ZINC000405078444 411416013 /nfs/dbraw/zinc/41/60/13/411416013.db2.gz NWBDFWPPPUWIDZ-NXEZZACHSA-N 1 0 246.301 1.619 10 0 BDAERO CC[C@@H]1CN(c2ncccc2F)CC[C@@H]1[NH3+] ZINC000122963512 411437167 /nfs/dbraw/zinc/43/71/67/411437167.db2.gz ZBGYPWYTPAZVBF-KOLCDFICSA-N 1 0 223.295 1.784 10 0 BDAERO CC[C@H]1CN(c2ncccc2F)CC[C@@H]1[NH3+] ZINC000122963776 411437493 /nfs/dbraw/zinc/43/74/93/411437493.db2.gz ZBGYPWYTPAZVBF-ONGXEEELSA-N 1 0 223.295 1.784 10 0 BDAERO CCc1nsc(N2CC[C@@H]([NH3+])[C@H](CC)C2)n1 ZINC000123020137 411437624 /nfs/dbraw/zinc/43/76/24/411437624.db2.gz YDYXJLFJTQNJBH-RKDXNWHRSA-N 1 0 240.376 1.664 10 0 BDAERO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cn1 ZINC000405711874 411439629 /nfs/dbraw/zinc/43/96/29/411439629.db2.gz OVAUZMVVQMPBHS-RRFJBIMHSA-N 1 0 246.354 1.983 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cccs1 ZINC000128893107 411442461 /nfs/dbraw/zinc/44/24/61/411442461.db2.gz ZZAIILRHSUQZDX-JTQLQIEISA-N 1 0 226.345 1.738 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1cnc2n1CCC2 ZINC000657358957 411476504 /nfs/dbraw/zinc/47/65/04/411476504.db2.gz IKVDVHFUDCRKQL-NSHDSACASA-N 1 0 237.347 1.326 10 0 BDAERO CCN(Cc1cnn(CC)c1)[C@H]1CCC[NH2+]C1 ZINC000104329639 169931693 /nfs/dbraw/zinc/93/16/93/169931693.db2.gz LHFJDACVOXZZQV-ZDUSSCGKSA-N 1 0 236.363 1.477 10 0 BDAERO Cc1nc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)[nH]c1C ZINC000657372974 411485745 /nfs/dbraw/zinc/48/57/45/411485745.db2.gz MYUNZPQWEOBNGA-RYUDHWBXSA-N 1 0 237.347 1.667 10 0 BDAERO Cc1c[nH]c(C[NH2+]C[C@H]2CCCC[C@H]2O)n1 ZINC000657372773 411486324 /nfs/dbraw/zinc/48/63/24/411486324.db2.gz JYSXBBDDKVOHGE-GHMZBOCLSA-N 1 0 223.320 1.359 10 0 BDAERO C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659900540 411491086 /nfs/dbraw/zinc/49/10/86/411491086.db2.gz JNCYKQWTKRJKAT-XJFOESAGSA-N 1 0 220.360 1.813 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000309469460 411496728 /nfs/dbraw/zinc/49/67/28/411496728.db2.gz ADUYIPYEZBMNIK-VQXHTEKXSA-N 1 0 210.321 1.291 10 0 BDAERO CC[C@](C)(NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000638859067 411510888 /nfs/dbraw/zinc/51/08/88/411510888.db2.gz XNZQWNHFRWOJQS-CDMKHQONSA-N 1 0 224.348 1.809 10 0 BDAERO OC[C@H]1C[N@H+](CCCC2CCC2)CCO1 ZINC000659997888 411524114 /nfs/dbraw/zinc/52/41/14/411524114.db2.gz DWZJKGUVLXRCNI-GFCCVEGCSA-N 1 0 213.321 1.260 10 0 BDAERO c1nnsc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000307089372 411465602 /nfs/dbraw/zinc/46/56/02/411465602.db2.gz OJUPLYNZUDTUAI-FXBDTBDDSA-N 1 0 209.318 1.816 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2O)C1 ZINC000334578926 170017973 /nfs/dbraw/zinc/01/79/73/170017973.db2.gz MAXVILSVWGOFSA-NSHDSACASA-N 1 0 248.326 1.525 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2O)C1 ZINC000334580026 170021183 /nfs/dbraw/zinc/02/11/83/170021183.db2.gz RSZOANYTCRPCKC-NSHDSACASA-N 1 0 248.326 1.525 10 0 BDAERO CCC([NH3+])(CC)CNc1ncnc2onc(C)c21 ZINC000130097684 411540539 /nfs/dbraw/zinc/54/05/39/411540539.db2.gz HEIVTFBIOKJLKE-UHFFFAOYSA-N 1 0 249.318 1.856 10 0 BDAERO CCN1C[C@H]([NH2+][C@H](C)CCCCO)[C@@H](C)C1 ZINC000309942305 170037586 /nfs/dbraw/zinc/03/75/86/170037586.db2.gz BZYRNICTPNMGTK-XQQFMLRXSA-N 1 0 228.380 1.467 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000309965422 170039551 /nfs/dbraw/zinc/03/95/51/170039551.db2.gz NFZKDXGVRUEQBF-UMSGYPCISA-N 1 0 226.364 1.341 10 0 BDAERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000657521706 411540961 /nfs/dbraw/zinc/54/09/61/411540961.db2.gz CIGDWEPIHDLTEV-LLVKDONJSA-N 1 0 238.718 1.627 10 0 BDAERO CCN1c2ccccc2C[C@@H]1C1=[NH+]CCN1 ZINC000029321153 170041394 /nfs/dbraw/zinc/04/13/94/170041394.db2.gz FDMPLCLPGYUBGT-GFCCVEGCSA-N 1 0 215.300 1.439 10 0 BDAERO CCNC(=[NH2+])N(C)CCc1cccs1 ZINC000086442144 170041900 /nfs/dbraw/zinc/04/19/00/170041900.db2.gz XIZSZXUOIBBMGL-UHFFFAOYSA-N 1 0 211.334 1.767 10 0 BDAERO CCNC(=O)CN(C)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902253 170055254 /nfs/dbraw/zinc/05/52/54/170055254.db2.gz XRRFGMRPBJPLAS-RISCZKNCSA-N 1 0 249.358 1.143 10 0 BDAERO CCNC(=O)C[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000036850110 170064270 /nfs/dbraw/zinc/06/42/70/170064270.db2.gz KFAMHZQILKXFSC-UHFFFAOYSA-N 1 0 246.354 1.967 10 0 BDAERO CCNC(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000034653676 170072077 /nfs/dbraw/zinc/07/20/77/170072077.db2.gz SRBROYDYCXIVQQ-UHFFFAOYSA-N 1 0 207.277 1.311 10 0 BDAERO CCNC(=O)Nc1cccc(F)c1C[NH3+] ZINC000070626856 170085447 /nfs/dbraw/zinc/08/54/47/170085447.db2.gz WGFCTVPRCRILPK-UHFFFAOYSA-N 1 0 211.240 1.426 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCOc2ccccc21 ZINC000061298760 170106237 /nfs/dbraw/zinc/10/62/37/170106237.db2.gz PPYCKRQVZCWNTF-UHFFFAOYSA-N 1 0 248.326 1.800 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCOC[C@@H]1C ZINC000061299681 170107870 /nfs/dbraw/zinc/10/78/70/170107870.db2.gz WCGISMFCVOZVMD-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C)cn1 ZINC000061288187 170107945 /nfs/dbraw/zinc/10/79/45/170107945.db2.gz UBLBOVQXBMFFDX-UHFFFAOYSA-N 1 0 221.304 1.717 10 0 BDAERO CC[NH2+]C1CCC(NC(=O)NC2CC2)CC1 ZINC000054457038 170108237 /nfs/dbraw/zinc/10/82/37/170108237.db2.gz IVNUGKPQBVTHKJ-UHFFFAOYSA-N 1 0 225.336 1.369 10 0 BDAERO CC[NH2+]CC1([C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000054655514 170110474 /nfs/dbraw/zinc/11/04/74/170110474.db2.gz RZGNVXOOJTXBSV-NSHDSACASA-N 1 0 245.388 1.591 10 0 BDAERO CC[NH2+]CC1([C@@H]2CCS(=O)(=O)C2)CCCC1 ZINC000054655512 170110979 /nfs/dbraw/zinc/11/09/79/170110979.db2.gz RZGNVXOOJTXBSV-LLVKDONJSA-N 1 0 245.388 1.591 10 0 BDAERO CC[NH2+]CCC(=O)Nc1cccc2c[nH]nc21 ZINC000061292894 170111829 /nfs/dbraw/zinc/11/18/29/170111829.db2.gz TYQQNERVOJWKMH-UHFFFAOYSA-N 1 0 232.287 1.501 10 0 BDAERO CC[NH2+]CCC(=O)N1Cc2ccccc2C1 ZINC000061299393 170111941 /nfs/dbraw/zinc/11/19/41/170111941.db2.gz PMUJUFIVUOJHDI-UHFFFAOYSA-N 1 0 218.300 1.528 10 0 BDAERO CC[NH2+]CCC(=O)N(C)[C@H](C)c1ccncc1 ZINC000061296491 170112198 /nfs/dbraw/zinc/11/21/98/170112198.db2.gz VAZOXSUUOUPNAU-LLVKDONJSA-N 1 0 235.331 1.601 10 0 BDAERO CC[NH2+]CCCc1nnc(-c2cccc(O)c2)o1 ZINC000050617136 170113599 /nfs/dbraw/zinc/11/35/99/170113599.db2.gz PTVBNZGJPJNHIU-UHFFFAOYSA-N 1 0 247.298 1.984 10 0 BDAERO CC[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000011755862 170117528 /nfs/dbraw/zinc/11/75/28/170117528.db2.gz HRNUZLNPJAFQML-UHFFFAOYSA-N 1 0 209.289 1.856 10 0 BDAERO CC[NH2+]CCc1nc(-c2cccc(OC)c2)no1 ZINC000051784448 170117845 /nfs/dbraw/zinc/11/78/45/170117845.db2.gz PJZRQCKCPALJME-UHFFFAOYSA-N 1 0 247.298 1.897 10 0 BDAERO CC[NH2+]C[C@@H](O)CN(Cc1ccco1)C1CC1 ZINC000042692946 170118723 /nfs/dbraw/zinc/11/87/23/170118723.db2.gz GTDHFYNAQPAWLI-GFCCVEGCSA-N 1 0 238.331 1.214 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2cccnn2)C1 ZINC000053696238 170119619 /nfs/dbraw/zinc/11/96/19/170119619.db2.gz NNCDPAPYSHAGNO-NSHDSACASA-N 1 0 220.320 1.303 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2nc(C)cc(C)n2)C1 ZINC000053696125 170119764 /nfs/dbraw/zinc/11/97/64/170119764.db2.gz AZUBDPULOBQFBZ-ZDUSSCGKSA-N 1 0 248.374 1.919 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1ncccn1 ZINC000053696508 170120393 /nfs/dbraw/zinc/12/03/93/170120393.db2.gz VRMNQLQXSZHCBV-JTQLQIEISA-N 1 0 206.293 1.055 10 0 BDAERO CC[NH2+]C[C@@H]1CC[C@H](Cn2nc(C)cc2C)O1 ZINC000052575912 170120826 /nfs/dbraw/zinc/12/08/26/170120826.db2.gz VXYYRQOOWABBQQ-QWHCGFSZSA-N 1 0 237.347 1.657 10 0 BDAERO CC[NH2+]C[C@@]1(O)CCc2ccccc2C1 ZINC000055027959 170120974 /nfs/dbraw/zinc/12/09/74/170120974.db2.gz IIGIEGDGKYLCSG-CYBMUJFWSA-N 1 0 205.301 1.516 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)OC[C@@H]1CC ZINC000061229922 170122055 /nfs/dbraw/zinc/12/20/55/170122055.db2.gz WDWCANUZEQJKAM-TUAOUCFPSA-N 1 0 242.363 1.258 10 0 BDAERO CC[NH2+]C[C@H](CC)N(C)CCc1ccncc1 ZINC000052483042 170122085 /nfs/dbraw/zinc/12/20/85/170122085.db2.gz MJZUHBYHGNQAOR-AWEZNQCLSA-N 1 0 235.375 1.944 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1ccc(OC)c(Cl)c1 ZINC000071558196 170122502 /nfs/dbraw/zinc/12/25/02/170122502.db2.gz WFBZPZJCOOIUJY-SNVBAGLBSA-N 1 0 243.734 1.862 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1cc(C)ccc1C ZINC000071510623 170122691 /nfs/dbraw/zinc/12/26/91/170122691.db2.gz VEACDRQLTPJUGI-CYBMUJFWSA-N 1 0 207.317 1.816 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2nccs2)C1 ZINC000053695961 170122821 /nfs/dbraw/zinc/12/28/21/170122821.db2.gz VMHXBXJJBKMVHN-SNVBAGLBSA-N 1 0 225.361 1.969 10 0 BDAERO CC[NH2+]C[C@H]1CCN(Cc2ccc(C)nc2)C1 ZINC000062053799 170122866 /nfs/dbraw/zinc/12/28/66/170122866.db2.gz CTHWMHYOJYLNCJ-CQSZACIVSA-N 1 0 233.359 1.821 10 0 BDAERO CC[NH2+]C[C@H]1CCN(Cc2cccc(C)n2)C1 ZINC000053034891 170122872 /nfs/dbraw/zinc/12/28/72/170122872.db2.gz KGJBOODEFONKSS-CYBMUJFWSA-N 1 0 233.359 1.821 10 0 BDAERO CC[NH2+]C[C@H]1CN(Cc2ccccc2)CC[C@@H]1O ZINC000095091547 170123861 /nfs/dbraw/zinc/12/38/61/170123861.db2.gz KRFQBCLKCBRFQB-GJZGRUSLSA-N 1 0 248.370 1.479 10 0 BDAERO CC[NH2+]Cc1c(N(C)C)nc2sccn12 ZINC000035429957 170124690 /nfs/dbraw/zinc/12/46/90/170124690.db2.gz GWWBFKYGKQMKRQ-UHFFFAOYSA-N 1 0 224.333 1.571 10 0 BDAERO CC[NH2+]Cc1cc(F)ccc1N(C)C[C@H](C)O ZINC000051839289 170125912 /nfs/dbraw/zinc/12/59/12/170125912.db2.gz ZJKTWIWGHCXJAG-JTQLQIEISA-N 1 0 240.322 1.752 10 0 BDAERO CC[NH2+]Cc1ccc(-n2nc(C)c(C)c2C)nn1 ZINC000051493824 170126550 /nfs/dbraw/zinc/12/65/50/170126550.db2.gz HOEARRVTWZBEAT-UHFFFAOYSA-N 1 0 245.330 1.697 10 0 BDAERO CC[NH2+]Cc1ccc(-n2ccnc2C)nn1 ZINC000051491143 170126800 /nfs/dbraw/zinc/12/68/00/170126800.db2.gz IHTKPMTWKHLSKE-UHFFFAOYSA-N 1 0 217.276 1.080 10 0 BDAERO CC[NH2+]Cc1cc2ccc(C)cc2[nH]c1=O ZINC000034797776 170126983 /nfs/dbraw/zinc/12/69/83/170126983.db2.gz TXIBDYVSOZZHOV-UHFFFAOYSA-N 1 0 216.284 1.946 10 0 BDAERO CC[NH2+]Cc1ccc(N2CC[C@H](C)C2)nn1 ZINC000051448473 170127542 /nfs/dbraw/zinc/12/75/42/170127542.db2.gz YACQSAMIZFAFRW-JTQLQIEISA-N 1 0 220.320 1.432 10 0 BDAERO CC[NH2+]Cc1cnn([C@@H]2CCC[C@@H]2O)c1 ZINC000054599519 170129945 /nfs/dbraw/zinc/12/99/45/170129945.db2.gz JQZGKCGVCSAUAN-MNOVXSKESA-N 1 0 209.293 1.079 10 0 BDAERO CC[NH2+]Cc1cnc(N2CCSCC2)s1 ZINC000054901793 170130126 /nfs/dbraw/zinc/13/01/26/170130126.db2.gz UKHMOHXXXAHMGB-UHFFFAOYSA-N 1 0 243.401 1.806 10 0 BDAERO CC[NH2+]Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000064875648 170131936 /nfs/dbraw/zinc/13/19/36/170131936.db2.gz PZMLIRHRQNWGIS-UHFFFAOYSA-N 1 0 217.272 1.341 10 0 BDAERO CC[NH2+]Cc1nc2c(s1)CN(CC)CC2 ZINC000053294414 170132110 /nfs/dbraw/zinc/13/21/10/170132110.db2.gz OKNKVQSICIDJGO-UHFFFAOYSA-N 1 0 225.361 1.631 10 0 BDAERO CC[NH2+]Cc1sc(CCOC)nc1COC ZINC000082445148 170133139 /nfs/dbraw/zinc/13/31/39/170133139.db2.gz SHEVUIRMRIQRIJ-UHFFFAOYSA-N 1 0 244.360 1.588 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1c(C)cc(C)cc1C ZINC000037869596 170138143 /nfs/dbraw/zinc/13/81/43/170138143.db2.gz VFUCSEDJAIKAEJ-GFCCVEGCSA-N 1 0 220.316 1.748 10 0 BDAERO CC[NH2+][C@@H](C)CN1CCOc2ccccc2C1 ZINC000063012594 170138775 /nfs/dbraw/zinc/13/87/75/170138775.db2.gz PLFLETNFBSFTAC-LBPRGKRZSA-N 1 0 234.343 1.879 10 0 BDAERO CC[NH2+][C@@H](C)CN1CCCO[C@H](C)C1 ZINC000061917187 170139102 /nfs/dbraw/zinc/13/91/02/170139102.db2.gz ACECCNFOTYZTEB-WDEREUQCSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000035645441 170142260 /nfs/dbraw/zinc/14/22/60/170142260.db2.gz IHHHDEXLHPYLEI-QMMMGPOBSA-N 1 0 207.277 1.848 10 0 BDAERO CC[NH2+][C@@H](C)c1nnc(-c2ccncc2)o1 ZINC000050619057 170142668 /nfs/dbraw/zinc/14/26/68/170142668.db2.gz UIRZEWTVOFTPRT-QMMMGPOBSA-N 1 0 218.260 1.802 10 0 BDAERO CC[NH2+][C@@H](CC)c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392595 170143709 /nfs/dbraw/zinc/14/37/09/170143709.db2.gz JUEPEINRRVUWQA-NSHDSACASA-N 1 0 247.342 1.938 10 0 BDAERO CC[NH2+][C@@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000062439430 170145623 /nfs/dbraw/zinc/14/56/23/170145623.db2.gz XPOOXIOKWQQGJP-TUAOUCFPSA-N 1 0 242.363 1.417 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCOCC1 ZINC000053861137 170150402 /nfs/dbraw/zinc/15/04/02/170150402.db2.gz URSUVANIEPIYLJ-VXGBXAGGSA-N 1 0 212.337 1.097 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccccc2COC)C1=O ZINC000049649286 170152797 /nfs/dbraw/zinc/15/27/97/170152797.db2.gz GNZLXZDTGMZFCQ-GFCCVEGCSA-N 1 0 248.326 1.548 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000049647621 170152801 /nfs/dbraw/zinc/15/28/01/170152801.db2.gz CNQFLQDHEYREOR-LLVKDONJSA-N 1 0 222.263 1.541 10 0 BDAERO CC[NH2+][C@@H]1CC[S@@](=O)c2ccccc21 ZINC000040973496 170153446 /nfs/dbraw/zinc/15/34/46/170153446.db2.gz SNRPNSSLNUNZLK-YGRLFVJLSA-N 1 0 209.314 1.849 10 0 BDAERO CCN[C@@](C)(CCCOC1CCC1)C(=O)OC ZINC000050521655 170155160 /nfs/dbraw/zinc/15/51/60/170155160.db2.gz WWSGBQHOUMRABE-ZDUSSCGKSA-N 1 0 243.347 1.877 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCCO[C@@H](C)C1 ZINC000061920160 170157044 /nfs/dbraw/zinc/15/70/44/170157044.db2.gz AYYXWFMENYYDKT-MNOVXSKESA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1Cc1ncccn1 ZINC000104420348 170158401 /nfs/dbraw/zinc/15/84/01/170158401.db2.gz IZABWFDVUVRQJG-OLZOCXBDSA-N 1 0 248.374 1.829 10 0 BDAERO CC[NH2+][C@H](C)[C@H]1COc2ccccc2O1 ZINC000031623248 170159052 /nfs/dbraw/zinc/15/90/52/170159052.db2.gz MPOPVYQHZMQKRJ-BXKDBHETSA-N 1 0 207.273 1.824 10 0 BDAERO CCN[C@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000062524143 170161561 /nfs/dbraw/zinc/16/15/61/170161561.db2.gz XAUZPWBAYTVBBY-NWDGAFQWSA-N 1 0 243.395 1.206 10 0 BDAERO CC[NH2+][C@H](CO)c1ccc(OC)c(F)c1 ZINC000071518737 170162224 /nfs/dbraw/zinc/16/22/24/170162224.db2.gz NBYRVEUUZHOXCW-SNVBAGLBSA-N 1 0 213.252 1.477 10 0 BDAERO CC[NH2+][C@H](CO)c1ccc2c(c1)OCCO2 ZINC000038120445 170162709 /nfs/dbraw/zinc/16/27/09/170162709.db2.gz BLDPHPRBUFSMIU-SNVBAGLBSA-N 1 0 223.272 1.101 10 0 BDAERO CC[NH2+][C@H](CO)c1cc(CC)ccc1OC ZINC000071531143 170162749 /nfs/dbraw/zinc/16/27/49/170162749.db2.gz KQGVOKZQJZOBFV-GFCCVEGCSA-N 1 0 223.316 1.901 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1N(C)C[C@@H]1CCCOC1 ZINC000104194852 170166930 /nfs/dbraw/zinc/16/69/30/170166930.db2.gz JAMZZDIQSVGSMH-MELADBBJSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc(F)cc2C)C1=O ZINC000049647636 170167648 /nfs/dbraw/zinc/16/76/48/170167648.db2.gz VNNUAZCMZLEHPM-NSHDSACASA-N 1 0 236.290 1.849 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc3c(c2)OCO3)C1=O ZINC000049647950 170168188 /nfs/dbraw/zinc/16/81/88/170168188.db2.gz RKMAQCHBCUSYHH-JTQLQIEISA-N 1 0 248.282 1.130 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cccc(F)c2F)C1=O ZINC000049648918 170168231 /nfs/dbraw/zinc/16/82/31/170168231.db2.gz ZQDCMQZDDDQQEY-VIFPVBQESA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@H]1N1CCCCCC1 ZINC000043812254 170168745 /nfs/dbraw/zinc/16/87/45/170168745.db2.gz XCRJYWOFRHHGNA-QWHCGFSZSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@]1(c2nc(C)c(C)s2)CCN(C)C1 ZINC000061991848 170170103 /nfs/dbraw/zinc/17/01/03/170170103.db2.gz KYNPTBIASLQFQU-GFCCVEGCSA-N 1 0 239.388 1.900 10 0 BDAERO CC[NH2+][C@](C)(CO)c1ccc2c(c1)OCO2 ZINC000038120056 170170494 /nfs/dbraw/zinc/17/04/94/170170494.db2.gz UTLVAYWVDCQEOX-GFCCVEGCSA-N 1 0 223.272 1.232 10 0 BDAERO CCNc1cc(-c2c[nH]c(N)[nH+]2)ccn1 ZINC000029393211 170171036 /nfs/dbraw/zinc/17/10/36/170171036.db2.gz OKCOCEOLSFMBND-UHFFFAOYSA-N 1 0 203.249 1.486 10 0 BDAERO CCNc1ccc(CN2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000104141683 170173223 /nfs/dbraw/zinc/17/32/23/170173223.db2.gz XXKNFQANTDPLAJ-GFCCVEGCSA-N 1 0 248.374 1.649 10 0 BDAERO CCNc1ncccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000061711630 170178540 /nfs/dbraw/zinc/17/85/40/170178540.db2.gz VQVSRORDMUMCIG-LLVKDONJSA-N 1 0 221.304 1.080 10 0 BDAERO CCOC(=O)COc1cccc(C[NH3+])c1 ZINC000019722809 170228993 /nfs/dbraw/zinc/22/89/93/170228993.db2.gz JWNBHHFGLJOCIB-UHFFFAOYSA-N 1 0 209.245 1.087 10 0 BDAERO CCOC(=O)COc1cccc2c1CC[C@@H]2[NH2+]C ZINC000062799238 170229404 /nfs/dbraw/zinc/22/94/04/170229404.db2.gz FXEKKYYJTAVATJ-LBPRGKRZSA-N 1 0 249.310 1.835 10 0 BDAERO CCOC(=O)C[C@@H](C)[NH2+]Cc1ncccc1C ZINC000071340081 170231351 /nfs/dbraw/zinc/23/13/51/170231351.db2.gz FERSNYCPKDBKEB-LLVKDONJSA-N 1 0 236.315 1.821 10 0 BDAERO CCOC(=O)C[C@H](C)[NH2+]Cc1ncccc1C ZINC000071340082 170233221 /nfs/dbraw/zinc/23/32/21/170233221.db2.gz FERSNYCPKDBKEB-NSHDSACASA-N 1 0 236.315 1.821 10 0 BDAERO CCOC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051359114 170238996 /nfs/dbraw/zinc/23/89/96/170238996.db2.gz DQAOUJGPSRMJQM-NXEZZACHSA-N 1 0 212.293 1.359 10 0 BDAERO CCOC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917503 170239229 /nfs/dbraw/zinc/23/92/29/170239229.db2.gz IYPSWNYMFBWIMD-WDEREUQCSA-N 1 0 226.320 1.607 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1cccc(F)c1F ZINC000104244728 170243175 /nfs/dbraw/zinc/24/31/75/170243175.db2.gz HDSAFJXMNSVTRA-VIFPVBQESA-N 1 0 244.241 1.711 10 0 BDAERO CCOC(=O)[C@H](C)N[C@@H](C)C[NH+]1CCCCC1 ZINC000043642155 170268773 /nfs/dbraw/zinc/26/87/73/170268773.db2.gz UQWKGVIRVPEUJC-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CCOC(=O)[C@](C)(O)C[NH2+]C1(C(C)C)CC1 ZINC000339510248 170285189 /nfs/dbraw/zinc/28/51/89/170285189.db2.gz VYFAVAUTKNBWCB-LLVKDONJSA-N 1 0 229.320 1.079 10 0 BDAERO CCOC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000238291269 170286652 /nfs/dbraw/zinc/28/66/52/170286652.db2.gz MQBZFJDCIQZYMA-CYBMUJFWSA-N 1 0 219.284 1.481 10 0 BDAERO CCOC(=O)c1cccn2c(C[NH+](C)C)cnc12 ZINC000089202304 170299900 /nfs/dbraw/zinc/29/99/00/170299900.db2.gz MIZXYHALRCQWAW-UHFFFAOYSA-N 1 0 247.298 1.573 10 0 BDAERO CCOC(=O)c1cccnc1NCCC[NH3+] ZINC000019437394 170300248 /nfs/dbraw/zinc/30/02/48/170300248.db2.gz PJEOUAJJJDMWEZ-UHFFFAOYSA-N 1 0 223.276 1.019 10 0 BDAERO CCOC(=O)c1sc([C@@H](C)C[NH3+])nc1C ZINC000011887492 170310694 /nfs/dbraw/zinc/31/06/94/170310694.db2.gz MWTWEVCQXCZNNX-LURJTMIESA-N 1 0 228.317 1.690 10 0 BDAERO CCOCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000037915830 170340222 /nfs/dbraw/zinc/34/02/22/170340222.db2.gz RTNVJLSDQGPPCR-NEPJUHHUSA-N 1 0 240.347 1.014 10 0 BDAERO CCOCC(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037916078 170340575 /nfs/dbraw/zinc/34/05/75/170340575.db2.gz RUZZYRMWFUMNKJ-GFCCVEGCSA-N 1 0 240.347 1.014 10 0 BDAERO CCOCCCNC(=O)C1(CC)CC[NH2+]CC1 ZINC000062847827 170375666 /nfs/dbraw/zinc/37/56/66/170375666.db2.gz UMQFRZPSCMEYQH-UHFFFAOYSA-N 1 0 242.363 1.309 10 0 BDAERO CCOCCC[N@@H+]1C[C@H](C)NC[C@@H]1C(C)C ZINC000083085237 170375711 /nfs/dbraw/zinc/37/57/11/170375711.db2.gz SWLHFSLFEOJLIT-QWHCGFSZSA-N 1 0 228.380 1.731 10 0 BDAERO CCOCCC[NH2+]CCN1CCCC1 ZINC000041626562 170380549 /nfs/dbraw/zinc/38/05/49/170380549.db2.gz FDLLZAVSVOJDJO-UHFFFAOYSA-N 1 0 200.326 1.098 10 0 BDAERO CCOCCO[C@@H]1CCCC[C@H]1[NH2+]C ZINC000044061109 170421102 /nfs/dbraw/zinc/42/11/02/170421102.db2.gz BDUPFVXEFMCCKN-GHMZBOCLSA-N 1 0 201.310 1.570 10 0 BDAERO CN1C[C@H](C[NH2+]C[C@H]2CC=CCC2)CC1=O ZINC000657695305 411581405 /nfs/dbraw/zinc/58/14/05/411581405.db2.gz XQIYPPZXEJNDLO-RYUDHWBXSA-N 1 0 222.332 1.411 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696904 411581764 /nfs/dbraw/zinc/58/17/64/411581764.db2.gz XNAWLLRULVFTPI-FRRDWIJNSA-N 1 0 238.375 1.881 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000309984969 170446362 /nfs/dbraw/zinc/44/63/62/170446362.db2.gz XWUUSJCSUZKRQK-RYUDHWBXSA-N 1 0 227.348 1.818 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660506744 411595287 /nfs/dbraw/zinc/59/52/87/411595287.db2.gz OMXJOVZQNBBQSB-FPYNETTCSA-N 1 0 225.332 1.114 10 0 BDAERO OCC1CC([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000657809064 411601551 /nfs/dbraw/zinc/60/15/51/411601551.db2.gz SXCHDRZHXKUVKT-XGTXGMFGSA-N 1 0 231.339 1.904 10 0 BDAERO Cc1ccncc1C[NH2+]C1CC(CO)C1 ZINC000657810326 411602547 /nfs/dbraw/zinc/60/25/47/411602547.db2.gz AWNDIZKMQLYAKU-UHFFFAOYSA-N 1 0 206.289 1.251 10 0 BDAERO COc1ccc(C[NH2+]C2CC(CO)C2)cc1F ZINC000657812373 411603510 /nfs/dbraw/zinc/60/35/10/411603510.db2.gz KHMUZROXLHITLS-UHFFFAOYSA-N 1 0 239.290 1.695 10 0 BDAERO OCC1CC([NH2+]Cc2cccc(F)c2F)C1 ZINC000657812080 411603516 /nfs/dbraw/zinc/60/35/16/411603516.db2.gz FSXQELMXEHZDNV-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO Cc1ccc(C[NH2+]C2CC(CO)C2)nc1 ZINC000657812324 411603526 /nfs/dbraw/zinc/60/35/26/411603526.db2.gz HYOBFHUZTRMBNR-UHFFFAOYSA-N 1 0 206.289 1.251 10 0 BDAERO CC1(C)[C@H]([NH2+]CCOCCF)[C@@H]2CCO[C@@H]21 ZINC000663459865 411662327 /nfs/dbraw/zinc/66/23/27/411662327.db2.gz GWEMATGKJAPYRY-AXFHLTTASA-N 1 0 231.311 1.376 10 0 BDAERO CCOc1cc(OC)ccc1C[C@H](C)[NH3+] ZINC000042288314 170528291 /nfs/dbraw/zinc/52/82/91/170528291.db2.gz GAGOPHOFIHRTSN-VIFPVBQESA-N 1 0 209.289 1.984 10 0 BDAERO CCOc1ccc([C@]2(O)CC[NH2+]C2)cc1 ZINC000033856685 170566355 /nfs/dbraw/zinc/56/63/55/170566355.db2.gz JLUDEVDPRVGZFJ-LBPRGKRZSA-N 1 0 207.273 1.266 10 0 BDAERO CCOc1ccccc1[C@H](O)[C@@H]1CCC[NH2+]1 ZINC000041237279 170600122 /nfs/dbraw/zinc/60/01/22/170600122.db2.gz RUHVJDHLOSQXFF-AAEUAGOBSA-N 1 0 221.300 1.871 10 0 BDAERO CCSCC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000128983835 170636697 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/nfs/dbraw/zinc/86/36/39/411863639.db2.gz INEAGGXMBWXUTJ-SNVBAGLBSA-N 1 0 238.335 1.554 10 0 BDAERO COCCNc1cc(N)[nH+]cc1C(F)(F)F ZINC000584624085 411863702 /nfs/dbraw/zinc/86/37/02/411863702.db2.gz RLZOSOUNZRMPQL-UHFFFAOYSA-N 1 0 235.209 1.741 10 0 BDAERO C[C@@H]([NH2+]CCCc1cncn1C)[C@@H]1CCCO1 ZINC000314935680 411898177 /nfs/dbraw/zinc/89/81/77/411898177.db2.gz RKBBIYMPIZVENI-YPMHNXCESA-N 1 0 237.347 1.510 10 0 BDAERO CC[C@@H](CC[NH3+])NC(=O)c1ccc2c(c1)CCO2 ZINC000054161889 170815731 /nfs/dbraw/zinc/81/57/31/170815731.db2.gz QTMLLOHGVQCTJS-LBPRGKRZSA-N 1 0 248.326 1.479 10 0 BDAERO CC[C@@H](CCC[NH3+])C(=O)NC1CCCC1 ZINC000076585608 170816328 /nfs/dbraw/zinc/81/63/28/170816328.db2.gz WZJWRHCKIYDAQB-JTQLQIEISA-N 1 0 212.337 1.810 10 0 BDAERO CC[C@@H](C[NH3+])CC(=O)NCc1ccc(C)cc1 ZINC000076616624 170821785 /nfs/dbraw/zinc/82/17/85/170821785.db2.gz LVTVTOAOIFCQQK-GFCCVEGCSA-N 1 0 234.343 1.986 10 0 BDAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccc(N)nc1 ZINC000616637344 411872594 /nfs/dbraw/zinc/87/25/94/411872594.db2.gz KVPKJMFUTHRNJR-LLVKDONJSA-N 1 0 220.320 1.019 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccnc(N)c2)C1 ZINC000616598829 411872679 /nfs/dbraw/zinc/87/26/79/411872679.db2.gz STGGLHWSECIQBX-LBPRGKRZSA-N 1 0 235.331 1.488 10 0 BDAERO CC[C@@H]([NH3+])CSc1nnc(C)s1 ZINC000015937449 170865453 /nfs/dbraw/zinc/86/54/53/170865453.db2.gz RKQMXDONKWRULN-ZCFIWIBFSA-N 1 0 203.336 1.676 10 0 BDAERO CC[C@@H]([NH3+])Cc1cc(C)nc(C[C@@H]2CCCO2)n1 ZINC000054835885 170866120 /nfs/dbraw/zinc/86/61/20/170866120.db2.gz HGCXKXLLPACVAU-YPMHNXCESA-N 1 0 249.358 1.786 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000120233624 171056777 /nfs/dbraw/zinc/05/67/77/171056777.db2.gz CBTXRTJTKOXIRV-MNOVXSKESA-N 1 0 226.364 1.927 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCO[C@H]2C)C1 ZINC000300369025 171057029 /nfs/dbraw/zinc/05/70/29/171057029.db2.gz QCFPZQSKEPPQLL-QNWHQSFQSA-N 1 0 227.348 1.695 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000336747103 171059602 /nfs/dbraw/zinc/05/96/02/171059602.db2.gz BTBICCIOCUEHOO-GRYCIOLGSA-N 1 0 212.337 1.095 10 0 BDAERO CC[C@@H]1CN([C@@H](C)COC)[C@H](C)C[NH2+]1 ZINC000083088002 171093654 /nfs/dbraw/zinc/09/36/54/171093654.db2.gz DDEROPNNLZVEFX-OUAUKWLOSA-N 1 0 200.326 1.094 10 0 BDAERO CC[C@@H]1CN(c2cnns2)[C@H](C)C[NH2+]1 ZINC000083347094 171098254 /nfs/dbraw/zinc/09/82/54/171098254.db2.gz JXMJZGQPGXXTSG-HTQZYQBOSA-N 1 0 212.322 1.115 10 0 BDAERO CC[C@@H]1COCCN1C[C@@H]1CCCC[NH2+]1 ZINC000036326891 171105886 /nfs/dbraw/zinc/10/58/86/171105886.db2.gz OXDIFUCKJFVSIR-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@@H]1COCCN1CC[C@@H]1CCCC[NH2+]1 ZINC000036326760 171106815 /nfs/dbraw/zinc/10/68/15/171106815.db2.gz QFORDACPVALNHR-QWHCGFSZSA-N 1 0 226.364 1.629 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1C(=O)C1([NH3+])CCCC1 ZINC000037616162 171108184 /nfs/dbraw/zinc/10/81/84/171108184.db2.gz XEYRXORTAMLCEA-WDEREUQCSA-N 1 0 240.347 1.284 10 0 BDAERO CC[C@@H]1COCCN1c1ncc([C@@H](C)[NH3+])s1 ZINC000054896014 171108703 /nfs/dbraw/zinc/10/87/03/171108703.db2.gz XLGYVKQVHSSWOR-RKDXNWHRSA-N 1 0 241.360 1.778 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1Cc1ccoc1C[NH3+] ZINC000052570985 171109321 /nfs/dbraw/zinc/10/93/21/171109321.db2.gz LANCNRLFADRPTH-CMPLNLGQSA-N 1 0 238.331 1.738 10 0 BDAERO CC[C@@](C)(CO)C[N@H+](CCN(C)C)CC(C)C ZINC000051294098 171166011 /nfs/dbraw/zinc/16/60/11/171166011.db2.gz GSUYJJIHZJTNAQ-CQSZACIVSA-N 1 0 244.423 1.915 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361426257 171177816 /nfs/dbraw/zinc/17/78/16/171177816.db2.gz MRILVRSJAVKVGE-VHSXEESVSA-N 1 0 237.290 1.097 10 0 BDAERO CC[C@@]([NH2+]CC1CC1)(C(N)=O)c1ccc(O)cc1 ZINC000037952090 171195230 /nfs/dbraw/zinc/19/52/30/171195230.db2.gz DMMHSOSCTYBZHA-AWEZNQCLSA-N 1 0 248.326 1.482 10 0 BDAERO CC[C@@]1(C(=O)NC[C@@H](C)COC)CCC[NH2+]C1 ZINC000062860541 171196383 /nfs/dbraw/zinc/19/63/83/171196383.db2.gz DIBLWZFAQGNGBY-DGCLKSJQSA-N 1 0 242.363 1.165 10 0 BDAERO C(CC1CCC1)C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000662285306 412077556 /nfs/dbraw/zinc/07/75/56/412077556.db2.gz JIJVGNNPGRNEKN-KBPBESRZSA-N 1 0 238.375 1.629 10 0 BDAERO CC[C@@]1(C2=[NH+]CCN2)Cc2ccccc2N1C ZINC000028016684 171210879 /nfs/dbraw/zinc/21/08/79/171210879.db2.gz FIXLZMQWQQKRIN-AWEZNQCLSA-N 1 0 229.327 1.829 10 0 BDAERO CC[C@@]1(C[N@@H+]2CCCO[C@H](C)C2)CCC[NH2+]C1 ZINC000062868021 171211090 /nfs/dbraw/zinc/21/10/90/171211090.db2.gz MSICXELZHBBSSL-ZIAGYGMSSA-N 1 0 240.391 1.877 10 0 BDAERO CC[C@H](C(=O)OC)n1c(N)[nH+]c2ccccc21 ZINC000075414712 171241367 /nfs/dbraw/zinc/24/13/67/171241367.db2.gz AECJDEDMNDVKKP-SECBINFHSA-N 1 0 233.271 1.743 10 0 BDAERO CC[C@H](C(N)=O)[N@H+](Cc1ccccc1N)C1CC1 ZINC000061677759 171242330 /nfs/dbraw/zinc/24/23/30/171242330.db2.gz JMLWHFLQEMMFHA-CYBMUJFWSA-N 1 0 247.342 1.497 10 0 BDAERO CC[C@H](C)C[NH2+][C@H]1CCc2ncnn2C1 ZINC000120539451 171287578 /nfs/dbraw/zinc/28/75/78/171287578.db2.gz SPXRCEVZICMVNL-UWVGGRQHSA-N 1 0 208.309 1.229 10 0 BDAERO CC[C@H](C)C[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC000036944060 171288265 /nfs/dbraw/zinc/28/82/65/171288265.db2.gz VHORKJKJXLOMHP-VHSXEESVSA-N 1 0 219.350 1.199 10 0 BDAERO CC[C@H](C)N(C)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040459522 171303105 /nfs/dbraw/zinc/30/31/05/171303105.db2.gz FERQFEPEXSCDHV-DTWKUNHWSA-N 1 0 200.326 1.617 10 0 BDAERO CC[C@H](C)N(CC)C(=O)N1CC[NH2+]CC1 ZINC000037112808 171312721 /nfs/dbraw/zinc/31/27/21/171312721.db2.gz NBXWBXKFKZCSEJ-JTQLQIEISA-N 1 0 213.325 1.132 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000042591120 171315277 /nfs/dbraw/zinc/31/52/77/171315277.db2.gz BLUUIHVIPVZVTE-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)CC[NH2+]C(C)C ZINC000042591450 171315597 /nfs/dbraw/zinc/31/55/97/171315597.db2.gz QXLNJFIEGXWKRZ-LBPRGKRZSA-N 1 0 244.379 1.648 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000026513289 171332931 /nfs/dbraw/zinc/33/29/31/171332931.db2.gz IMFPTRAWUOMEFA-AXFHLTTASA-N 1 0 228.336 1.058 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1ccco1 ZINC000076611713 171333649 /nfs/dbraw/zinc/33/36/49/171333649.db2.gz VJQGKXVBCWRUKI-UWVGGRQHSA-N 1 0 224.304 1.627 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000020036743 171339491 /nfs/dbraw/zinc/33/94/91/171339491.db2.gz FBWNNSKCCGAUHM-NSHDSACASA-N 1 0 212.337 1.777 10 0 BDAERO CC[C@H](C)[NH2+][C@@H](C)c1c(C)nc(C)[nH]c1=O ZINC000037484072 171345811 /nfs/dbraw/zinc/34/58/11/171345811.db2.gz VJWCJWRZBUBRCR-YUMQZZPRSA-N 1 0 223.320 1.836 10 0 BDAERO CC[C@H](C)N[C@@]1(C(=O)OC)C[NH+]2CCC1CC2 ZINC000038067257 171347568 /nfs/dbraw/zinc/34/75/68/171347568.db2.gz ZMRCPJNYGNILIB-GWCFXTLKSA-N 1 0 240.347 1.012 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=S)N1CCCC1 ZINC000214696721 171372324 /nfs/dbraw/zinc/37/23/24/171372324.db2.gz PAAWYGFBSCGGHY-DTWKUNHWSA-N 1 0 200.351 1.783 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CN1CCCOCC1 ZINC000061934791 171372326 /nfs/dbraw/zinc/37/23/26/171372326.db2.gz MQBMDBAEGGDGPN-QWRGUYRKSA-N 1 0 200.326 1.082 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CCO)C1CCCC1 ZINC000037824846 171394744 /nfs/dbraw/zinc/39/47/44/171394744.db2.gz VNUTXNSVJSQBCD-JQWIXIFHSA-N 1 0 242.363 1.123 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1nnc(C)n1C1CC1 ZINC000042031334 171397550 /nfs/dbraw/zinc/39/75/50/171397550.db2.gz LJSPWPFKLGJNDU-XVKPBYJWSA-N 1 0 208.309 1.967 10 0 BDAERO CC[C@H](C[NH3+])CC(=O)NCc1ccco1 ZINC000076584944 171430469 /nfs/dbraw/zinc/43/04/69/171430469.db2.gz GVLDLRFDCROGIX-VIFPVBQESA-N 1 0 210.277 1.271 10 0 BDAERO CC[C@H](C[NH3+])NC(=O)c1ccc(N(C)C)cc1 ZINC000104327117 171430786 /nfs/dbraw/zinc/43/07/86/171430786.db2.gz JEUZGKPBKPNYTI-LLVKDONJSA-N 1 0 235.331 1.220 10 0 BDAERO CC[C@H](C[NH3+])NC(=O)/C=C/c1ccco1 ZINC000074534662 171430807 /nfs/dbraw/zinc/43/08/07/171430807.db2.gz PVRFEAFKBLTDDX-VUHVRTRXSA-N 1 0 208.261 1.146 10 0 BDAERO CC[C@H](C[NH2+]C)OCc1ccc2c(c1)OCO2 ZINC000052624938 171437992 /nfs/dbraw/zinc/43/79/92/171437992.db2.gz AWKDNVVJQXRFRM-LLVKDONJSA-N 1 0 237.299 1.930 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1cnn(-c2ccccc2)c1 ZINC000036779086 171486925 /nfs/dbraw/zinc/48/69/25/171486925.db2.gz FOACNYVQAOOKQG-STQMWFEESA-N 1 0 231.299 1.643 10 0 BDAERO CC[C@H]([NH3+])[C@@H](c1ccccc1C)n1cncn1 ZINC000043037691 171488243 /nfs/dbraw/zinc/48/82/43/171488243.db2.gz CAISZJWHKJRWTH-QWHCGFSZSA-N 1 0 230.315 1.913 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)C1CCC2(CC2)CC1 ZINC000662425356 412165496 /nfs/dbraw/zinc/16/54/96/412165496.db2.gz GABGOQMVZLSCBQ-LBPRGKRZSA-N 1 0 236.359 1.907 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ccoc1 ZINC000662662187 412260860 /nfs/dbraw/zinc/26/08/60/412260860.db2.gz BKZWWZWNCFVZBF-NSHDSACASA-N 1 0 224.304 1.312 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1ccoc1 ZINC000662662186 412261371 /nfs/dbraw/zinc/26/13/71/412261371.db2.gz BKZWWZWNCFVZBF-LLVKDONJSA-N 1 0 224.304 1.312 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCCc1ccoc1 ZINC000662664175 412262513 /nfs/dbraw/zinc/26/25/13/412262513.db2.gz SOXUJFGEIWBSOT-SNVBAGLBSA-N 1 0 210.277 1.066 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@]1(C)CC1(C)C ZINC000662706303 412277501 /nfs/dbraw/zinc/27/75/01/412277501.db2.gz BQWGBXHMAOVOCZ-JOYOIKCWSA-N 1 0 212.337 1.665 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000662711367 412279703 /nfs/dbraw/zinc/27/97/03/412279703.db2.gz ALXRJHQYTASMEA-PWSUYJOCSA-N 1 0 224.348 1.633 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1cccnc1 ZINC000132785756 412283455 /nfs/dbraw/zinc/28/34/55/412283455.db2.gz GGWALHLZKPMYGE-STQMWFEESA-N 1 0 247.342 1.258 10 0 BDAERO [NH3+]C1CCC(C(=O)NCCc2ccoc2)CC1 ZINC000662871529 412330826 /nfs/dbraw/zinc/33/08/26/412330826.db2.gz OUGSCFMXOGFEJJ-UHFFFAOYSA-N 1 0 236.315 1.456 10 0 BDAERO [NH3+]C1CCC(C(=O)NC2CC3(CCC3)C2)CC1 ZINC000662910757 412342378 /nfs/dbraw/zinc/34/23/78/412342378.db2.gz SEUNLSSWRZOMEK-UHFFFAOYSA-N 1 0 236.359 1.953 10 0 BDAERO CC[C@]1(C(=O)N[C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000122045594 171710880 /nfs/dbraw/zinc/71/08/80/171710880.db2.gz FYYJINUWGYKGHM-NTZNESFSSA-N 1 0 240.347 1.202 10 0 BDAERO CCCOc1nccnc1NC[C@@H]([NH3+])CC ZINC000630516568 412359174 /nfs/dbraw/zinc/35/91/74/412359174.db2.gz GGJZUAIIHIHCFJ-VIFPVBQESA-N 1 0 224.308 1.415 10 0 BDAERO Cc1cn(C)nc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000662970910 412360541 /nfs/dbraw/zinc/36/05/41/412360541.db2.gz TVLYTVNTAXTPTL-SNVBAGLBSA-N 1 0 236.319 1.057 10 0 BDAERO CN(C(=O)CC1CCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978577 412361275 /nfs/dbraw/zinc/36/12/75/412361275.db2.gz GYRSVJGHEVASMB-QMMMGPOBSA-N 1 0 238.253 1.525 10 0 BDAERO CN(C(=O)c1ccccc1)[C@H](C[NH3+])C(F)(F)F ZINC000662974818 412361600 /nfs/dbraw/zinc/36/16/00/412361600.db2.gz ARZLSIASEJJXPK-SECBINFHSA-N 1 0 246.232 1.648 10 0 BDAERO CN(C(=O)c1ccncc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662980277 412362948 /nfs/dbraw/zinc/36/29/48/412362948.db2.gz GJBAJIPTEFAQKF-QMMMGPOBSA-N 1 0 247.220 1.043 10 0 BDAERO CCc1c(C)nc(Cl)nc1N[C@H]1CC[NH2+]C1 ZINC000073735051 171740338 /nfs/dbraw/zinc/74/03/38/171740338.db2.gz PVERJXNXJQVJPC-QMMMGPOBSA-N 1 0 240.738 1.775 10 0 BDAERO CCCc1nccnc1N1CC[C@H]([NH2+]C)C1 ZINC000663270234 412403336 /nfs/dbraw/zinc/40/33/36/412403336.db2.gz IQDUITWFHUUCRC-JTQLQIEISA-N 1 0 220.320 1.227 10 0 BDAERO CCCc1nccnc1NCC[C@@H]1CC[NH2+]C1 ZINC000663269992 412403571 /nfs/dbraw/zinc/40/35/71/412403571.db2.gz DWKSFIMLXZQGAK-NSHDSACASA-N 1 0 234.347 1.841 10 0 BDAERO CCOc1cncc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663274032 412404139 /nfs/dbraw/zinc/40/41/39/412404139.db2.gz KWIDXEIRPZOSDB-UHFFFAOYSA-N 1 0 234.303 1.039 10 0 BDAERO CCCc1nccnc1N1CC2CC1(C[NH3+])C2 ZINC000663273909 412404313 /nfs/dbraw/zinc/40/43/13/412404313.db2.gz KUPQDNRXKHEGEH-UHFFFAOYSA-N 1 0 232.331 1.357 10 0 BDAERO CCCc1nccnc1N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000663274838 412405188 /nfs/dbraw/zinc/40/51/88/412405188.db2.gz PYTSCNWBFAUISC-RYUDHWBXSA-N 1 0 248.374 1.850 10 0 BDAERO Cc1nsc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663274983 412405265 /nfs/dbraw/zinc/40/52/65/412405265.db2.gz XSVNLXPCPRJNGC-UHFFFAOYSA-N 1 0 210.306 1.010 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ncncc1Br ZINC000663280305 412408130 /nfs/dbraw/zinc/40/81/30/412408130.db2.gz IFLVPSNMXXUABN-ZCFIWIBFSA-N 1 0 245.124 1.259 10 0 BDAERO CO[C@H](C[NH2+][C@@H]1CCNC1=O)C1CCCCC1 ZINC000663309477 412414506 /nfs/dbraw/zinc/41/45/06/412414506.db2.gz UPWPXHOHQWZHAR-VXGBXAGGSA-N 1 0 240.347 1.060 10 0 BDAERO CCc1ccc(C[C@@H](C[NH3+])C(=O)NC(C)C)o1 ZINC000051722076 171814354 /nfs/dbraw/zinc/81/43/54/171814354.db2.gz BNBREUIQAPKKCQ-JTQLQIEISA-N 1 0 238.331 1.484 10 0 BDAERO CCc1ccc([C@@H]2C[C@@]2(C[NH3+])CO)s1 ZINC000070500515 171837505 /nfs/dbraw/zinc/83/75/05/171837505.db2.gz KBMBLQBXKBBINZ-GXSJLCMTSA-N 1 0 211.330 1.735 10 0 BDAERO CCc1cccc(C2(O)CC[NH2+]CC2)c1 ZINC000079026107 171854324 /nfs/dbraw/zinc/85/43/24/171854324.db2.gz OXZUUJJCCKQOEE-UHFFFAOYSA-N 1 0 205.301 1.820 10 0 BDAERO CCc1cccc(OCCNCC[NH3+])c1 ZINC000039101302 171866088 /nfs/dbraw/zinc/86/60/88/171866088.db2.gz QNOLSZFOHBNDTI-UHFFFAOYSA-N 1 0 208.305 1.176 10 0 BDAERO CCc1cccc(OCC[C@@H]([NH3+])CO)c1 ZINC000071511918 171866400 /nfs/dbraw/zinc/86/64/00/171866400.db2.gz YDOYDLLDBHZZCZ-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO CCc1nc2n(n1)C[C@@H]([NH2+]CC=C(C)C)CC2 ZINC000237063905 172014766 /nfs/dbraw/zinc/01/47/66/172014766.db2.gz QLMXPYFPHXZYED-NSHDSACASA-N 1 0 234.347 1.711 10 0 BDAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC000194951774 172029043 /nfs/dbraw/zinc/02/90/43/172029043.db2.gz DIHDSBNJRMSJBD-NEPJUHHUSA-N 1 0 237.347 1.463 10 0 BDAERO CCc1nnc(N[C@H]2CCC[NH2+][C@H]2C)nc1CC ZINC000097838135 172062942 /nfs/dbraw/zinc/06/29/42/172062942.db2.gz AGTXLMKLANNXHF-CABZTGNLSA-N 1 0 249.362 1.549 10 0 BDAERO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)CC)CC2 ZINC000369853454 172068419 /nfs/dbraw/zinc/06/84/19/172068419.db2.gz RAYSHUWOGHKFDC-VHSXEESVSA-N 1 0 222.336 1.543 10 0 BDAERO CCc1nnc2sc([C@@H]([NH3+])C(C)C)nn12 ZINC000032015073 172069218 /nfs/dbraw/zinc/06/92/18/172069218.db2.gz NAQNGACRIPECGD-ZETCQYMHSA-N 1 0 225.321 1.404 10 0 BDAERO CCc1noc(CCC2CC[NH2+]CC2)n1 ZINC000050928059 172083131 /nfs/dbraw/zinc/08/31/31/172083131.db2.gz BTBDYPLBXLPNLY-UHFFFAOYSA-N 1 0 209.293 1.564 10 0 BDAERO CCc1noc(COc2ccc(CC[NH3+])cc2)n1 ZINC000037720404 172085044 /nfs/dbraw/zinc/08/50/44/172085044.db2.gz PEQGIJYUVUXRGB-UHFFFAOYSA-N 1 0 247.298 1.712 10 0 BDAERO CCc1nsc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000250274991 172103981 /nfs/dbraw/zinc/10/39/81/172103981.db2.gz WVAIWGPZXGFZIA-DTWKUNHWSA-N 1 0 240.376 1.664 10 0 BDAERO CCn1c(C)[nH+]c(-c2cnn(C)c2)c1N ZINC000104907560 172136919 /nfs/dbraw/zinc/13/69/19/172136919.db2.gz HAQQFSLFIYTPRT-UHFFFAOYSA-N 1 0 205.265 1.194 10 0 BDAERO CCn1c(C)nnc1CCC1CC[NH2+]CC1 ZINC000050929684 172139038 /nfs/dbraw/zinc/13/90/38/172139038.db2.gz PDPUULRNDMBBRX-UHFFFAOYSA-N 1 0 222.336 1.539 10 0 BDAERO CCn1c(CC[NH2+]C)nc2cc(OC)ccc21 ZINC000074297957 172144740 /nfs/dbraw/zinc/14/47/40/172144740.db2.gz PBGCJJWVYZZOGM-UHFFFAOYSA-N 1 0 233.315 1.827 10 0 BDAERO CCn1cc(C[C@H]([NH3+])c2ccncc2)cn1 ZINC000050542439 172177004 /nfs/dbraw/zinc/17/70/04/172177004.db2.gz JKUKBVVMSIUNQH-LBPRGKRZSA-N 1 0 216.288 1.541 10 0 BDAERO CCn1cc(C[C@@H]([NH3+])Cc2ccccn2)cn1 ZINC000050542488 172177426 /nfs/dbraw/zinc/17/74/26/172177426.db2.gz RMSYRGQZUCCVMR-GFCCVEGCSA-N 1 0 230.315 1.411 10 0 BDAERO CCn1cc(N2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000049711242 172178221 /nfs/dbraw/zinc/17/82/21/172178221.db2.gz WOPXSISWHXGNGI-UWVGGRQHSA-N 1 0 208.309 1.219 10 0 BDAERO CCn1cc(Cn2nc(C)c(C[NH2+]C)c2C)cn1 ZINC000050541319 172178233 /nfs/dbraw/zinc/17/82/33/172178233.db2.gz OHDWENQEQMPTFI-UHFFFAOYSA-N 1 0 247.346 1.484 10 0 BDAERO CCn1cc(NC(=O)[C@H]([NH3+])C(C)(C)C)cn1 ZINC000077558814 172182744 /nfs/dbraw/zinc/18/27/44/172182744.db2.gz GAELEOQPMIZPLG-VIFPVBQESA-N 1 0 224.308 1.215 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000227561155 172207178 /nfs/dbraw/zinc/20/71/78/172207178.db2.gz AFHIZOVTHHCKEA-DGCLKSJQSA-N 1 0 222.332 1.759 10 0 BDAERO CCn1cccc1C[NH2+]CC(C)(C)C(=O)OC ZINC000294723882 172207390 /nfs/dbraw/zinc/20/73/90/172207390.db2.gz IJGZUXBRGJECHJ-UHFFFAOYSA-N 1 0 238.331 1.797 10 0 BDAERO CCn1ccnc(Oc2ccccc2C[NH3+])c1=O ZINC000061770544 172213745 /nfs/dbraw/zinc/21/37/45/172213745.db2.gz ZOMZLEUQMAYQCB-UHFFFAOYSA-N 1 0 245.282 1.514 10 0 BDAERO CCn1ccnc1COc1ccc(C[NH3+])cc1 ZINC000054743456 172225440 /nfs/dbraw/zinc/22/54/40/172225440.db2.gz WBZNXUMCKIDYAT-UHFFFAOYSA-N 1 0 231.299 1.941 10 0 BDAERO CCn1cc[nH+]c1NC1CCC(O)CC1 ZINC000050608214 172227362 /nfs/dbraw/zinc/22/73/62/172227362.db2.gz PWUAGPCDEZPQKN-UHFFFAOYSA-N 1 0 209.293 1.618 10 0 BDAERO CCn1cc[nH+]c1NC[C@H](O)c1ccc(N)cc1 ZINC000050614408 172227958 /nfs/dbraw/zinc/22/79/58/172227958.db2.gz ZWGVWXQECYXDFZ-LBPRGKRZSA-N 1 0 246.314 1.631 10 0 BDAERO CCn1ccnc1[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000050892631 172230227 /nfs/dbraw/zinc/23/02/27/172230227.db2.gz GZOFRDOENBMPEK-CYBMUJFWSA-N 1 0 243.310 1.886 10 0 BDAERO CCn1nc(C)c(CN2CCC[C@H]2C[NH3+])c1C ZINC000020315853 172245706 /nfs/dbraw/zinc/24/57/06/172245706.db2.gz RWKKDVHVKCBKDF-LBPRGKRZSA-N 1 0 236.363 1.443 10 0 BDAERO CCn1ncc(C[NH2+]Cc2cccnc2)c1C ZINC000020351241 172254811 /nfs/dbraw/zinc/25/48/11/172254811.db2.gz WGPNOKXHKMWCHO-UHFFFAOYSA-N 1 0 230.315 1.896 10 0 BDAERO CN(C(=O)COc1ccc(CC[NH3+])cc1)C1CC1 ZINC000049303566 172311870 /nfs/dbraw/zinc/31/18/70/172311870.db2.gz IHCNPIVCZYFZML-UHFFFAOYSA-N 1 0 248.326 1.187 10 0 BDAERO CN(C(=O)[C@](C)([NH3+])C1CC1)C1CCCC1 ZINC000037654809 172336051 /nfs/dbraw/zinc/33/60/51/172336051.db2.gz HBKLRTVYWQNGLY-GFCCVEGCSA-N 1 0 210.321 1.515 10 0 BDAERO CN(C(=O)c1ccc(F)c(Cl)c1)C1C[NH2+]C1 ZINC000124909900 172340663 /nfs/dbraw/zinc/34/06/63/172340663.db2.gz YKYAKURRAKWJEY-UHFFFAOYSA-N 1 0 242.681 1.523 10 0 BDAERO CN(C)C(=O)CCC[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104233094 172356535 /nfs/dbraw/zinc/35/65/35/172356535.db2.gz BKFBQNGGLRARJB-YNEHKIRRSA-N 1 0 238.375 1.881 10 0 BDAERO CN(C)C(=O)N1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000033426535 172377725 /nfs/dbraw/zinc/37/77/25/172377725.db2.gz MHESWLCWELFXLD-LBPRGKRZSA-N 1 0 225.336 1.134 10 0 BDAERO CN(C)C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000334971500 172378884 /nfs/dbraw/zinc/37/88/84/172378884.db2.gz HMYQCRFUUPBAOI-OLZOCXBDSA-N 1 0 247.342 1.342 10 0 BDAERO CN(C)C(=O)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000077305256 172384449 /nfs/dbraw/zinc/38/44/49/172384449.db2.gz BWZDOYGMRACJNW-VIFPVBQESA-N 1 0 212.680 1.428 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C(C)C)C1CC1 ZINC000324516191 487624613 /nfs/dbraw/zinc/62/46/13/487624613.db2.gz JMRPNNPZRVRTQK-DGCLKSJQSA-N 1 0 226.364 1.911 10 0 BDAERO CN(C)c1cccc(C(=O)N[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000063173441 172565757 /nfs/dbraw/zinc/56/57/57/172565757.db2.gz VLMQLJUEALMOBM-STQMWFEESA-N 1 0 247.342 1.362 10 0 BDAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)[C@H]1CCCO1 ZINC000019843724 172773046 /nfs/dbraw/zinc/77/30/46/172773046.db2.gz AXZAQJOFRXTZOL-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO CN(Cc1ccccn1)c1ccc(C[NH3+])cn1 ZINC000036776987 172879862 /nfs/dbraw/zinc/87/98/62/172879862.db2.gz DXSIZWHCBPJGOX-UHFFFAOYSA-N 1 0 228.299 1.572 10 0 BDAERO CN(Cc1ccco1)[C@H](C[NH3+])c1ccccn1 ZINC000035701716 172890706 /nfs/dbraw/zinc/89/07/06/172890706.db2.gz JJMXXXJVTJIMHX-CYBMUJFWSA-N 1 0 231.299 1.806 10 0 BDAERO CN(Cc1ccoc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000042448691 172903319 /nfs/dbraw/zinc/90/33/19/172903319.db2.gz YJWWWXIQDUIWET-NSHDSACASA-N 1 0 222.288 1.238 10 0 BDAERO C[NH+]1CCC2(CN(Cc3ccccc3)C2=O)CC1 ZINC000034182764 173001954 /nfs/dbraw/zinc/00/19/54/173001954.db2.gz SWQAHKBTLJUMON-UHFFFAOYSA-N 1 0 244.338 1.741 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]CCCOCC1CC1 ZINC000054240396 173003940 /nfs/dbraw/zinc/00/39/40/173003940.db2.gz OIWXADILVJVRCI-CQSZACIVSA-N 1 0 240.391 1.877 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC000052172568 173004364 /nfs/dbraw/zinc/00/43/64/173004364.db2.gz CRPOROUUUGILQN-CYBMUJFWSA-N 1 0 226.364 1.487 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccccn1 ZINC000044561743 173004484 /nfs/dbraw/zinc/00/44/84/173004484.db2.gz DTOOYUYQAWYNKO-CYBMUJFWSA-N 1 0 219.332 1.656 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCO1 ZINC000044562750 173005979 /nfs/dbraw/zinc/00/59/79/173005979.db2.gz JSGCQCZTIWFMGU-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CNc1ccc(C(N)=O)cc1 ZINC000054239739 173009109 /nfs/dbraw/zinc/00/91/09/173009109.db2.gz GTKYQKPSSGHXJG-ZDUSSCGKSA-N 1 0 247.342 1.682 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CNc1cccnn1 ZINC000052831286 173009769 /nfs/dbraw/zinc/00/97/69/173009769.db2.gz GVWVZUAHCZIICG-JTQLQIEISA-N 1 0 206.293 1.373 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CCOc1ccncc1N ZINC000040240456 173028957 /nfs/dbraw/zinc/02/89/57/173028957.db2.gz LQUIYCCDBWOVED-SNVBAGLBSA-N 1 0 221.304 1.527 10 0 BDAERO C[N@@H+]1CCC[C@@]12CCN(c1cncnc1)C2 ZINC000038867539 173039538 /nfs/dbraw/zinc/03/95/38/173039538.db2.gz POUAXVXKENTAMN-LBPRGKRZSA-N 1 0 218.304 1.151 10 0 BDAERO CN(c1ccc(N)nc1)[C@H]1CCC[N@H+](C)C1 ZINC000053205892 173043696 /nfs/dbraw/zinc/04/36/96/173043696.db2.gz GCCVEFIRGXKBCH-NSHDSACASA-N 1 0 220.320 1.194 10 0 BDAERO CN(C(=O)c1ccccc1N)[C@H]1CCC[N@H+](C)C1 ZINC000053205136 173044193 /nfs/dbraw/zinc/04/41/93/173044193.db2.gz AEKNDAQYADHAOG-NSHDSACASA-N 1 0 247.342 1.435 10 0 BDAERO CN1CC[N@H+](CC(N)=S)[C@H](c2ccccc2)C1 ZINC000034689300 173078157 /nfs/dbraw/zinc/07/81/57/173078157.db2.gz XYHDPKHFNDUCRU-LBPRGKRZSA-N 1 0 249.383 1.261 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304492077 173102385 /nfs/dbraw/zinc/10/23/85/173102385.db2.gz BWZKHVYZUNZUDR-RVMXOQNASA-N 1 0 224.348 1.095 10 0 BDAERO CN1CCO[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000082432939 173103306 /nfs/dbraw/zinc/10/33/06/173103306.db2.gz ACYGXXVDOGKDGS-ZDUSSCGKSA-N 1 0 220.316 1.107 10 0 BDAERO CN1CCO[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000308940999 173103311 /nfs/dbraw/zinc/10/33/11/173103311.db2.gz MFKHPROEGLMMMM-NSHDSACASA-N 1 0 212.337 1.095 10 0 BDAERO CN1CCO[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC000078570923 173106827 /nfs/dbraw/zinc/10/68/27/173106827.db2.gz FEGXBWDUEXPZOP-LLVKDONJSA-N 1 0 214.353 1.343 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304492070 173108784 /nfs/dbraw/zinc/10/87/84/173108784.db2.gz BWZKHVYZUNZUDR-LOWDOPEQSA-N 1 0 224.348 1.095 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1O ZINC000071190594 173112460 /nfs/dbraw/zinc/11/24/60/173112460.db2.gz SWKCXTINGSYCAI-LLVKDONJSA-N 1 0 248.326 1.416 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cc3ccccc3c(=O)[nH]2)C1 ZINC000042547941 173125226 /nfs/dbraw/zinc/12/52/26/173125226.db2.gz KGOBBPXVGKMDRB-LLVKDONJSA-N 1 0 243.310 1.644 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc3cc(N)ccc3n2)C1 ZINC000042545034 173126412 /nfs/dbraw/zinc/12/64/12/173126412.db2.gz WICZKPBPSYXSRX-GFCCVEGCSA-N 1 0 242.326 1.933 10 0 BDAERO CN(C)c1ncccc1N[C@@H]1CC[N@H+](C)C1 ZINC000061985876 173126540 /nfs/dbraw/zinc/12/65/40/173126540.db2.gz ISQHIBYHUIDEPS-SNVBAGLBSA-N 1 0 220.320 1.264 10 0 BDAERO C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000165873321 173128891 /nfs/dbraw/zinc/12/88/91/173128891.db2.gz PTRITADCAOWGKC-OLZOCXBDSA-N 1 0 205.301 1.714 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccccc1C=O ZINC000071189457 173142341 /nfs/dbraw/zinc/14/23/41/173142341.db2.gz LQQAXZPXILLLLM-LBPRGKRZSA-N 1 0 232.327 1.887 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2cccc(F)n2)C1 ZINC000040712227 173146959 /nfs/dbraw/zinc/14/69/59/173146959.db2.gz CUKAVGVPQZYVGS-SECBINFHSA-N 1 0 209.268 1.584 10 0 BDAERO C[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000014441466 173165447 /nfs/dbraw/zinc/16/54/47/173165447.db2.gz PNYGHERLKSFRMH-GFCCVEGCSA-N 1 0 202.257 1.212 10 0 BDAERO CN1C[C@H](C[NH3+])c2ccc(Br)cc21 ZINC000071484082 173193246 /nfs/dbraw/zinc/19/32/46/173193246.db2.gz SRIOLGICUUGETF-ZETCQYMHSA-N 1 0 241.132 1.941 10 0 BDAERO CNC(=O)CCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000051757492 173262346 /nfs/dbraw/zinc/26/23/46/173262346.db2.gz KAGMXIGGNYIXFD-ZDUSSCGKSA-N 1 0 248.326 1.538 10 0 BDAERO CNC(=O)CN(C)[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966100 173270107 /nfs/dbraw/zinc/27/01/07/173270107.db2.gz UHCQCIZNILFADH-RISCZKNCSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061325641 173277891 /nfs/dbraw/zinc/27/78/91/173277891.db2.gz CANTXGWBNCZRHZ-SECBINFHSA-N 1 0 224.329 1.461 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000084499603 173278260 /nfs/dbraw/zinc/27/82/60/173278260.db2.gz YWDBQUCQOZNZFY-JTQLQIEISA-N 1 0 206.289 1.392 10 0 BDAERO CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000189333446 173292454 /nfs/dbraw/zinc/29/24/54/173292454.db2.gz TZXLIURVGSNPKO-LLVKDONJSA-N 1 0 221.304 1.218 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000042561502 173295045 /nfs/dbraw/zinc/29/50/45/173295045.db2.gz KSKVTQYIDHYYDL-LMWSTFAQSA-N 1 0 246.354 1.965 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000042561564 173295194 /nfs/dbraw/zinc/29/51/94/173295194.db2.gz KDYLVQLLVJGSKC-PNESKVBLSA-N 1 0 246.354 1.965 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000035180596 173295218 /nfs/dbraw/zinc/29/52/18/173295218.db2.gz RXLUCOXSJNNVDO-BXKDBHETSA-N 1 0 218.300 1.398 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627265 173295312 /nfs/dbraw/zinc/29/53/12/173295312.db2.gz DJZZGSMTKUJBGY-MRVPVSSYSA-N 1 0 238.356 1.461 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629301 173296005 /nfs/dbraw/zinc/29/60/05/173296005.db2.gz XXTJSMIGSYAJIB-VHSXEESVSA-N 1 0 236.315 1.528 10 0 BDAERO CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000077391824 173296346 /nfs/dbraw/zinc/29/63/46/173296346.db2.gz HTZFHDNMULVBEG-QMMMGPOBSA-N 1 0 243.104 1.195 10 0 BDAERO CNC(=O)[C@@H](CCC[NH3+])c1ccc(N(C)C)cc1 ZINC000076635832 173296541 /nfs/dbraw/zinc/29/65/41/173296541.db2.gz ZIZZOTFKBHQQRY-ZDUSSCGKSA-N 1 0 249.358 1.321 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000042562042 173302925 /nfs/dbraw/zinc/30/29/25/173302925.db2.gz NTHZVLHFGFDNDE-RYUDHWBXSA-N 1 0 249.358 1.792 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000042341928 173303068 /nfs/dbraw/zinc/30/30/68/173303068.db2.gz KKEHRVCOQFYUCU-JTQLQIEISA-N 1 0 236.315 1.233 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000042562035 173303710 /nfs/dbraw/zinc/30/37/10/173303710.db2.gz KIXGPAIDNIANBH-ZJUUUORDSA-N 1 0 248.326 1.407 10 0 BDAERO CNC(=O)[C@H](C)Oc1cccc([C@H](C)[NH3+])c1 ZINC000020419741 173304336 /nfs/dbraw/zinc/30/43/36/173304336.db2.gz HJSFYMFBCRXQHG-IUCAKERBSA-N 1 0 222.288 1.220 10 0 BDAERO CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000077391812 173304932 /nfs/dbraw/zinc/30/49/32/173304932.db2.gz OKTCQXXXIWTYOI-MRVPVSSYSA-N 1 0 243.104 1.195 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)c1ccccn1 ZINC000061300299 173317335 /nfs/dbraw/zinc/31/73/35/173317335.db2.gz POBWWGNFRDRPHI-UHFFFAOYSA-N 1 0 207.277 1.042 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000061317156 173317521 /nfs/dbraw/zinc/31/75/21/173317521.db2.gz UOEOYQYEKJQPHZ-SECBINFHSA-N 1 0 214.353 1.877 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)c1ccccc1F ZINC000061319140 173317712 /nfs/dbraw/zinc/31/77/12/173317712.db2.gz PZYWLHNGGCEIQI-UHFFFAOYSA-N 1 0 224.279 1.787 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCCc1ccc(O)cc1 ZINC000061318262 173318186 /nfs/dbraw/zinc/31/81/86/173318186.db2.gz VNFAZFJYLHQSGE-UHFFFAOYSA-N 1 0 236.315 1.049 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000061300222 173318679 /nfs/dbraw/zinc/31/86/79/173318679.db2.gz JQGXYMVQRVAAME-UWVGGRQHSA-N 1 0 212.337 1.489 10 0 BDAERO C[NH2+]C1CCC(NC(=O)[C@H]2C[C@@H]2C)CC1 ZINC000036880502 173322109 /nfs/dbraw/zinc/32/21/09/173322109.db2.gz RUDRJBSOTRHNKF-PMUOWJKOSA-N 1 0 210.321 1.289 10 0 BDAERO C[NH2+]C1CCN(Cc2ccc(Cl)nn2)CC1 ZINC000095071575 173322899 /nfs/dbraw/zinc/32/28/99/173322899.db2.gz FCUBAMSRBXCCAP-UHFFFAOYSA-N 1 0 240.738 1.314 10 0 BDAERO C[NH2+]CC(=O)N(C)[C@@H](C)c1ccc(C)s1 ZINC000037822003 173324881 /nfs/dbraw/zinc/32/48/81/173324881.db2.gz PEMFHWQFFFXEEJ-VIFPVBQESA-N 1 0 226.345 1.795 10 0 BDAERO C[NH2+]CC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000037495171 173327847 /nfs/dbraw/zinc/32/78/47/173327847.db2.gz HMDRRUSLLDAOGB-ZWNOBZJWSA-N 1 0 224.348 1.633 10 0 BDAERO C[NH2+]CC(=O)N1Cc2ccccc2C(C)(C)C1 ZINC000083910253 173328057 /nfs/dbraw/zinc/32/80/57/173328057.db2.gz SEXAGHIOBDRSKS-UHFFFAOYSA-N 1 0 232.327 1.526 10 0 BDAERO C[NH2+]CC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000037495170 173328245 /nfs/dbraw/zinc/32/82/45/173328245.db2.gz HMDRRUSLLDAOGB-GWCFXTLKSA-N 1 0 224.348 1.633 10 0 BDAERO C[NH2+]CC(=O)NCCOc1ccc(C)c(C)c1 ZINC000077372679 173329664 /nfs/dbraw/zinc/32/96/64/173329664.db2.gz TUMCSNFTPIUAJE-UHFFFAOYSA-N 1 0 236.315 1.018 10 0 BDAERO C[NH2+]CC(=O)NCc1cc2c(s1)CCC2 ZINC000040627991 173330810 /nfs/dbraw/zinc/33/08/10/173330810.db2.gz JNHWZJLIVDSWQF-UHFFFAOYSA-N 1 0 224.329 1.072 10 0 BDAERO C[NH2+]CC(=O)Nc1ccncc1Br ZINC000126958713 173334545 /nfs/dbraw/zinc/33/45/45/173334545.db2.gz PUBYYYGGQRPTIA-UHFFFAOYSA-N 1 0 244.092 1.002 10 0 BDAERO C[NH2+]CCC(=O)NCCc1cc(C)c(C)cc1C ZINC000077424855 173340097 /nfs/dbraw/zinc/34/00/97/173340097.db2.gz OMKMZKYKLXQNAZ-UHFFFAOYSA-N 1 0 248.370 1.880 10 0 BDAERO C[NH2+]CCC(=O)NCc1cc(C)n(C2CC2)c1C ZINC000077429337 173340485 /nfs/dbraw/zinc/34/04/85/173340485.db2.gz DPOBMURQINAXJF-UHFFFAOYSA-N 1 0 249.358 1.666 10 0 BDAERO C[NH2+]CCC(=O)NCCc1ccc(F)c(C)c1 ZINC000077383970 173340900 /nfs/dbraw/zinc/34/09/00/173340900.db2.gz TUPAVDCTLLUBFE-UHFFFAOYSA-N 1 0 238.306 1.402 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc2c(c1)CCCO2 ZINC000077427805 173341943 /nfs/dbraw/zinc/34/19/43/173341943.db2.gz QAWGHUZTKLBRLY-UHFFFAOYSA-N 1 0 249.310 1.664 10 0 BDAERO C[NH2+]CCN1CCc2sccc2[C@@H]1C ZINC000042779732 173354771 /nfs/dbraw/zinc/35/47/71/173354771.db2.gz MLOJBXVIWWKVTN-VIFPVBQESA-N 1 0 210.346 1.887 10 0 BDAERO C[NH2+]CCOc1cccc2cccnc21 ZINC000020524991 173357521 /nfs/dbraw/zinc/35/75/21/173357521.db2.gz WQYAMVVQNHQUTF-UHFFFAOYSA-N 1 0 202.257 1.833 10 0 BDAERO C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000070223615 173357759 /nfs/dbraw/zinc/35/77/59/173357759.db2.gz ZTKUIHMJCDYZCK-UHFFFAOYSA-N 1 0 233.720 1.333 10 0 BDAERO C[NH2+]CCOc1ccc2c(c1)CCC(=O)N2 ZINC000043498480 173357806 /nfs/dbraw/zinc/35/78/06/173357806.db2.gz OYWALPJSCUUXID-UHFFFAOYSA-N 1 0 220.272 1.170 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1cccc(Cl)c1 ZINC000077391691 173358193 /nfs/dbraw/zinc/35/81/93/173358193.db2.gz MUUICMWOHXDZPU-GFCCVEGCSA-N 1 0 242.750 1.747 10 0 BDAERO C[NH2+]CC[C@H](C)n1nnc2ccccc21 ZINC000052576598 173358240 /nfs/dbraw/zinc/35/82/40/173358240.db2.gz UVVSYFVTUCEYJZ-VIFPVBQESA-N 1 0 204.277 1.602 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1cccc(C)c1 ZINC000077334568 173358581 /nfs/dbraw/zinc/35/85/81/173358581.db2.gz WJGBDZCFWQNUGW-CYBMUJFWSA-N 1 0 222.332 1.402 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1cccc(C)c1C ZINC000077373182 173358753 /nfs/dbraw/zinc/35/87/53/173358753.db2.gz RQBFKVIKBOFXRT-ZDUSSCGKSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CCc1nc2cc(C)c(C)cc2[nH]1 ZINC000019733990 173361367 /nfs/dbraw/zinc/36/13/67/173361367.db2.gz FXMIHIMKLWSJQM-UHFFFAOYSA-N 1 0 203.289 1.942 10 0 BDAERO C[NH2+]CCn1cnc2sc(C)c(C)c2c1=O ZINC000042410366 173361791 /nfs/dbraw/zinc/36/17/91/173361791.db2.gz RQTLNRCLVXUMMX-UHFFFAOYSA-N 1 0 237.328 1.294 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)N1CCOCC1(C)C ZINC000052546006 173361937 /nfs/dbraw/zinc/36/19/37/173361937.db2.gz VAQJJCQUJNMHIC-NSHDSACASA-N 1 0 214.353 1.341 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)N1C[C@@H](C)OC(C)(C)C1 ZINC000052543347 173362874 /nfs/dbraw/zinc/36/28/74/173362874.db2.gz WFRDIIRHYXLJJN-NEPJUHHUSA-N 1 0 228.380 1.730 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)n1nnc2ccccc21 ZINC000052576779 173362882 /nfs/dbraw/zinc/36/28/82/173362882.db2.gz JBUUVMITGBQKAW-LBPRGKRZSA-N 1 0 218.304 1.848 10 0 BDAERO C[NH2+]C[C@@H](O)CN(C)[C@@H](C)c1ccccc1 ZINC000077334475 173364508 /nfs/dbraw/zinc/36/45/08/173364508.db2.gz GHLIFMNGAXDQIX-WCQYABFASA-N 1 0 222.332 1.260 10 0 BDAERO C[NH2+]C[C@@H](O)CN1c2ccccc2C[C@H]1C ZINC000035240309 173364947 /nfs/dbraw/zinc/36/49/47/173364947.db2.gz ZHHZMYOWVJTKTN-ZYHUDNBSSA-N 1 0 220.316 1.018 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc2c(c1)OCCCO2 ZINC000041242176 173365982 /nfs/dbraw/zinc/36/59/82/173365982.db2.gz JKNFCXGGMGSSNA-SNVBAGLBSA-N 1 0 223.272 1.101 10 0 BDAERO C[NH2+]C[C@@H](O)c1sccc1Br ZINC000083335966 173366383 /nfs/dbraw/zinc/36/63/83/173366383.db2.gz RYNVNNWKUHEKSN-ZCFIWIBFSA-N 1 0 236.134 1.763 10 0 BDAERO C[NH2+]C[C@@H](OC)c1ccc(OC)c(F)c1 ZINC000062711484 173367106 /nfs/dbraw/zinc/36/71/06/173367106.db2.gz MKLXXEOEDDGZPU-LLVKDONJSA-N 1 0 213.252 1.741 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2cc(C)ccc2C(N)=O)C1 ZINC000071148014 173371066 /nfs/dbraw/zinc/37/10/66/173371066.db2.gz NVTPJXWGZBPDON-NSHDSACASA-N 1 0 247.342 1.140 10 0 BDAERO C[NH2+]C[C@@H]1CCN(Cc2cccc(C)n2)C1 ZINC000053034889 173371225 /nfs/dbraw/zinc/37/12/25/173371225.db2.gz JMKMPGCPQLQIKD-LBPRGKRZSA-N 1 0 219.332 1.431 10 0 BDAERO C[NH2+]C[C@@H]1CN(CCc2cccs2)CCO1 ZINC000071550246 173371420 /nfs/dbraw/zinc/37/14/20/173371420.db2.gz BMFWCHNBUYEHLE-LLVKDONJSA-N 1 0 240.372 1.211 10 0 BDAERO C[NH2+]C[C@@H]1CN([C@@H](C)c2ccccc2)CCO1 ZINC000071544608 173372043 /nfs/dbraw/zinc/37/20/43/173372043.db2.gz YLWQAWONTGOQKL-GXTWGEPZSA-N 1 0 234.343 1.668 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1cc(OC)ccc1OC ZINC000001996178 173372369 /nfs/dbraw/zinc/37/23/69/173372369.db2.gz BWLTUONQPSGLSS-GFCCVEGCSA-N 1 0 225.288 1.131 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ccc(Cl)nn1 ZINC000051867254 173376050 /nfs/dbraw/zinc/37/60/50/173376050.db2.gz YDNMLWLHZJLWQU-LURJTMIESA-N 1 0 201.657 1.117 10 0 BDAERO C[NH2+]C[C@H](O)c1cc(Cl)ccc1F ZINC000082592867 173376922 /nfs/dbraw/zinc/37/69/22/173376922.db2.gz FTHWWNHNWXAEQH-VIFPVBQESA-N 1 0 203.644 1.732 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(N2CCCC2)cc1 ZINC000083017478 173377534 /nfs/dbraw/zinc/37/75/34/173377534.db2.gz HRBHSVAVZJRDJZ-ZDUSSCGKSA-N 1 0 220.316 1.540 10 0 BDAERO C[NH2+]C[C@H](c1cccc(OC)c1)N(C)C ZINC000019862112 173378286 /nfs/dbraw/zinc/37/82/86/173378286.db2.gz WOLUUBLGIPYKSP-GFCCVEGCSA-N 1 0 208.305 1.517 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000011892209 173381880 /nfs/dbraw/zinc/38/18/80/173381880.db2.gz MLDGDRIQFJZBEP-SNVBAGLBSA-N 1 0 208.280 1.871 10 0 BDAERO C[NH2+]C[C@]1(CC2CCOCC2)CCOC1 ZINC000054663916 173384220 /nfs/dbraw/zinc/38/42/20/173384220.db2.gz MQPXYXHCHLAENH-GFCCVEGCSA-N 1 0 213.321 1.429 10 0 BDAERO C[NH2+]Cc1c(C)nn([C@H]2CCC[C@@H]2O)c1C ZINC000054599496 173384706 /nfs/dbraw/zinc/38/47/06/173384706.db2.gz YMXJENCOAZDYSP-RYUDHWBXSA-N 1 0 223.320 1.305 10 0 BDAERO C[NH2+]Cc1c(N(C)C)nc2sccn12 ZINC000035429959 173384842 /nfs/dbraw/zinc/38/48/42/173384842.db2.gz CZCISPCYCCTDCR-UHFFFAOYSA-N 1 0 210.306 1.181 10 0 BDAERO C[NH2+]Cc1c(C)nn(CCc2cccnc2)c1C ZINC000063223708 173385008 /nfs/dbraw/zinc/38/50/08/173385008.db2.gz IDPGBVAEDULEHZ-UHFFFAOYSA-N 1 0 244.342 1.857 10 0 BDAERO C[NH2+]Cc1c(C)nn(Cc2ncccn2)c1C ZINC000054461530 173385333 /nfs/dbraw/zinc/38/53/33/173385333.db2.gz INTGWWORPJZLOH-UHFFFAOYSA-N 1 0 231.303 1.058 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N1CCCCCC1 ZINC000034823383 173385398 /nfs/dbraw/zinc/38/53/98/173385398.db2.gz YAZLNGHCHNBMFD-UHFFFAOYSA-N 1 0 236.363 1.828 10 0 BDAERO C[NH2+]Cc1cc(-n2ccnc2C)ccn1 ZINC000051491039 173386110 /nfs/dbraw/zinc/38/61/10/173386110.db2.gz HZXRVUOEVQZSQD-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1cc(N(C)Cc2ccncc2)ccn1 ZINC000051446606 173387144 /nfs/dbraw/zinc/38/71/44/173387144.db2.gz VYHMWLGIGPHRGI-UHFFFAOYSA-N 1 0 242.326 1.832 10 0 BDAERO C[NH2+]Cc1ccc(N2CCCOCC2)nc1 ZINC000061935322 173388998 /nfs/dbraw/zinc/38/89/98/173388998.db2.gz JDOOGNCBEONWSJ-UHFFFAOYSA-N 1 0 221.304 1.028 10 0 BDAERO C[NH2+]Cc1cccnc1N(C)Cc1cscn1 ZINC000051479779 173391802 /nfs/dbraw/zinc/39/18/02/173391802.db2.gz ZJGLKIAOYWPSOB-UHFFFAOYSA-N 1 0 248.355 1.894 10 0 BDAERO C[NH2+]Cc1cnc(Cc2ccc(OC)cc2)nc1 ZINC000054855564 173392082 /nfs/dbraw/zinc/39/20/82/173392082.db2.gz UDNCREDYTLTOIS-UHFFFAOYSA-N 1 0 243.310 1.795 10 0 BDAERO C[NH2+]Cc1cnc(CCc2ccccc2)nc1 ZINC000054855580 173392500 /nfs/dbraw/zinc/39/25/00/173392500.db2.gz SPYGCBABSSLJKL-UHFFFAOYSA-N 1 0 227.311 1.981 10 0 BDAERO C[NH2+]Cc1cnc(C[C@@H]2CCCO2)s1 ZINC000040996560 173392625 /nfs/dbraw/zinc/39/26/25/173392625.db2.gz IDLRNXLOMAFMBC-QMMMGPOBSA-N 1 0 212.318 1.584 10 0 BDAERO C[NH2+]Cc1csc(-c2ccncc2)n1 ZINC000040999586 173393943 /nfs/dbraw/zinc/39/39/43/173393943.db2.gz QTDYOQSBXMMANL-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1nc2cc(Br)cnc2o1 ZINC000071485513 173396118 /nfs/dbraw/zinc/39/61/18/173396118.db2.gz JVLMYGUCZRUYBE-UHFFFAOYSA-N 1 0 242.076 1.705 10 0 BDAERO C[NH2+]Cc1nnnn1-c1cc(Cl)ccc1F ZINC000054745080 173398817 /nfs/dbraw/zinc/39/88/17/173398817.db2.gz IBYLTAYLGVNMAY-UHFFFAOYSA-N 1 0 241.657 1.174 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H](C)c1ccc(F)cc1 ZINC000054747376 173398931 /nfs/dbraw/zinc/39/89/31/173398931.db2.gz GNDHOYKYXOKRKL-MRVPVSSYSA-N 1 0 235.266 1.141 10 0 BDAERO C[NH2+][C@@H]1CCCC[C@H]1CCS(C)(=O)=O ZINC000042402275 173431943 /nfs/dbraw/zinc/43/19/43/173431943.db2.gz BDZGNGSBOKTDIO-VHSXEESVSA-N 1 0 219.350 1.199 10 0 BDAERO C[NH2+][C@@H]1CC[S@@](=O)c2c(F)cc(F)cc21 ZINC000040977249 173438756 /nfs/dbraw/zinc/43/87/56/173438756.db2.gz IUTPAMCNQDTWSQ-PSLIRLAXSA-N 1 0 231.267 1.737 10 0 BDAERO C[NH2+][C@H](C)[C@@H](O)c1cc(C)ccc1OC ZINC000039105750 173447632 /nfs/dbraw/zinc/44/76/32/173447632.db2.gz HLADHGQSXAVFBF-BXKDBHETSA-N 1 0 209.289 1.645 10 0 BDAERO C[NH2+][C@H](c1ccc2c(c1)NC(=O)CO2)[C@H]1C[C@@H]1C ZINC000035501782 173457506 /nfs/dbraw/zinc/45/75/06/173457506.db2.gz REIKUIUQYSUNCD-QEVYDEPDSA-N 1 0 246.310 1.934 10 0 BDAERO C[NH2+][C@H]1CCN(c2ccc(F)cc2C)C1=O ZINC000049647639 173466834 /nfs/dbraw/zinc/46/68/34/173466834.db2.gz KTACKUVXSLRTCI-JTQLQIEISA-N 1 0 222.263 1.459 10 0 BDAERO COC(=O)CC[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037636496 173567111 /nfs/dbraw/zinc/56/71/11/173567111.db2.gz IXZXFOBTHUSIAH-LLVKDONJSA-N 1 0 235.283 1.575 10 0 BDAERO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C)[C@@H]1C ZINC000336766753 173628411 /nfs/dbraw/zinc/62/84/11/173628411.db2.gz PGVTYLYCDIVWST-LDMBFOFVSA-N 1 0 225.332 1.962 10 0 BDAERO COC1CC([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000336754469 174018496 /nfs/dbraw/zinc/01/84/96/174018496.db2.gz HKAXNIADZYOISG-XKGSQUFQSA-N 1 0 213.321 1.711 10 0 BDAERO COC1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094647221 174027065 /nfs/dbraw/zinc/02/70/65/174027065.db2.gz JFDBPHXPASUHSG-CMPLNLGQSA-N 1 0 240.347 1.012 10 0 BDAERO COC1CCN([C@H](C[NH3+])c2ccco2)CC1 ZINC000037266002 174029625 /nfs/dbraw/zinc/02/96/25/174029625.db2.gz IPPIJKPLOVHUTO-LLVKDONJSA-N 1 0 224.304 1.390 10 0 BDAERO COCC1(C[NH2+]CC=C(C)C)CCOCC1 ZINC000309975657 174103362 /nfs/dbraw/zinc/10/33/62/174103362.db2.gz SNHTXSUICISWFI-UHFFFAOYSA-N 1 0 227.348 1.985 10 0 BDAERO COCCCCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105924119 174177518 /nfs/dbraw/zinc/17/75/18/174177518.db2.gz KOYKZXWFKYRAJE-ZDUSSCGKSA-N 1 0 244.379 1.066 10 0 BDAERO COCCCCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000120758056 174179404 /nfs/dbraw/zinc/17/94/04/174179404.db2.gz PHMMTGDJYLZFBO-TXEJJXNPSA-N 1 0 215.337 1.912 10 0 BDAERO COCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483464 174228117 /nfs/dbraw/zinc/22/81/17/174228117.db2.gz DUEOWILGKLAEQW-LBPRGKRZSA-N 1 0 223.320 1.973 10 0 BDAERO COCCCOC[C@@H]([NH3+])c1cccc(OC)c1 ZINC000037747110 174255652 /nfs/dbraw/zinc/25/56/52/174255652.db2.gz FIBUQLQYUSQQOU-CYBMUJFWSA-N 1 0 239.315 1.748 10 0 BDAERO COCCCn1c(N)[nH+]c2cc(F)ccc21 ZINC000036899687 174266811 /nfs/dbraw/zinc/26/68/11/174266811.db2.gz KPGHDOBCAOJZLC-UHFFFAOYSA-N 1 0 223.251 1.794 10 0 BDAERO COCCN(C(=O)CC[NH2+]C(C)(C)C)C1CC1 ZINC000037814670 174268303 /nfs/dbraw/zinc/26/83/03/174268303.db2.gz ZSECDIOZCSWXES-UHFFFAOYSA-N 1 0 242.363 1.402 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000041280490 174282535 /nfs/dbraw/zinc/28/25/35/174282535.db2.gz MKTYVKZYTUSJOW-ZDUSSCGKSA-N 1 0 238.331 1.273 10 0 BDAERO COCCN(CCC(N)=[NH2+])Cc1cccc(C)c1 ZINC000071229227 174289068 /nfs/dbraw/zinc/28/90/68/174289068.db2.gz TVOQCVIUFRTHOV-UHFFFAOYSA-N 1 0 249.358 1.769 10 0 BDAERO COCCN1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000039779865 174303972 /nfs/dbraw/zinc/30/39/72/174303972.db2.gz BCAUAIYQXHGKBD-UHFFFAOYSA-N 1 0 200.326 1.095 10 0 BDAERO COCCN1CC[N@H+](CCOC(C)C)C[C@H]1C ZINC000105832817 174310197 /nfs/dbraw/zinc/31/01/97/174310197.db2.gz FVHDYBPSYAUJRM-CYBMUJFWSA-N 1 0 244.379 1.064 10 0 BDAERO COCCNC(=O)[C@@H](C)[NH2+]C1CCCCCC1 ZINC000036962772 174325939 /nfs/dbraw/zinc/32/59/39/174325939.db2.gz KAJRPOOKPWGYQW-LLVKDONJSA-N 1 0 242.363 1.450 10 0 BDAERO COCC[NH2+]CCOc1ccc(C)cc1OC ZINC000041282073 174333540 /nfs/dbraw/zinc/33/35/40/174333540.db2.gz HUPUQQGVDOPCBU-UHFFFAOYSA-N 1 0 239.315 1.618 10 0 BDAERO COCC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000020048387 174333827 /nfs/dbraw/zinc/33/38/27/174333827.db2.gz WCTZMILYHOSDAR-UHFFFAOYSA-N 1 0 237.299 1.236 10 0 BDAERO COCC[NH2+]CCc1ccc2c(c1)OCO2 ZINC000071444045 174333864 /nfs/dbraw/zinc/33/38/64/174333864.db2.gz CSNCFKARCRUBQC-UHFFFAOYSA-N 1 0 223.272 1.194 10 0 BDAERO COCC[NH2+]C[C@H](O)c1ccccc1F ZINC000032012794 174334112 /nfs/dbraw/zinc/33/41/12/174334112.db2.gz OEKDXBMOSAQKGK-NSHDSACASA-N 1 0 213.252 1.095 10 0 BDAERO COCC[NH2+]C[C@](C)(O)c1ccc(OC)cc1 ZINC000033468613 174334865 /nfs/dbraw/zinc/33/48/65/174334865.db2.gz JPMRFCOUMJWWML-ZDUSSCGKSA-N 1 0 239.315 1.139 10 0 BDAERO COCCO[C@@H](C)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000019398011 174365850 /nfs/dbraw/zinc/36/58/50/174365850.db2.gz RUHFEDZNPHWPDY-GWCFXTLKSA-N 1 0 239.315 1.747 10 0 BDAERO COCCOc1ccc([C@@H](C)C[NH3+])cc1 ZINC000071511774 174368654 /nfs/dbraw/zinc/36/86/54/174368654.db2.gz BKCLTFHUQLUGCR-JTQLQIEISA-N 1 0 209.289 1.774 10 0 BDAERO COCC[C@@H]([NH3+])CN(C)c1ccccc1OC ZINC000052811031 174391962 /nfs/dbraw/zinc/39/19/62/174391962.db2.gz IAXZXJLMQJUWHH-LLVKDONJSA-N 1 0 238.331 1.495 10 0 BDAERO COC[C@@H]([NH3+])CN(C)Cc1ccc(F)cc1F ZINC000104317112 174478726 /nfs/dbraw/zinc/47/87/26/174478726.db2.gz XHIAAFKRHJNYLM-NSHDSACASA-N 1 0 244.285 1.370 10 0 BDAERO CO[C@H](C(=O)N[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000063172095 174801559 /nfs/dbraw/zinc/80/15/59/174801559.db2.gz XZMLVVMKBKPSCG-AVGNSLFASA-N 1 0 248.326 1.370 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000309410753 174849559 /nfs/dbraw/zinc/84/95/59/174849559.db2.gz BTHNOIBZYDXGGF-TUAOUCFPSA-N 1 0 227.348 1.816 10 0 BDAERO CO[C@H]1CCC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000050372355 174881480 /nfs/dbraw/zinc/88/14/80/174881480.db2.gz FBZZEXZVUARURR-QWRGUYRKSA-N 1 0 240.347 1.189 10 0 BDAERO CO[C@H]1CCC[C@H]1Nc1cc[nH+]cc1N ZINC000050368786 174883646 /nfs/dbraw/zinc/88/36/46/174883646.db2.gz NAAZMBQFZRYNAX-MNOVXSKESA-N 1 0 207.277 1.643 10 0 BDAERO COc1cc(OC)c(OCC[NH3+])cc1OC ZINC000096890365 175007861 /nfs/dbraw/zinc/00/78/61/175007861.db2.gz JFSZJRFPEBZQRI-UHFFFAOYSA-N 1 0 227.260 1.050 10 0 BDAERO COc1cc(OC)cc(C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000076681862 175010447 /nfs/dbraw/zinc/01/04/47/175010447.db2.gz BIYCVSPAXLIDSF-LBPRGKRZSA-N 1 0 235.283 1.639 10 0 BDAERO COc1cc([C@@H](C[NH3+])OC)ccc1Cl ZINC000095935572 175013753 /nfs/dbraw/zinc/01/37/53/175013753.db2.gz OQUJLTSLLVISOY-SNVBAGLBSA-N 1 0 215.680 1.995 10 0 BDAERO COc1cc2cc(C[NH3+])cnc2cc1OC ZINC000047845194 175026251 /nfs/dbraw/zinc/02/62/51/175026251.db2.gz IZYAPPUSMFFHDK-UHFFFAOYSA-N 1 0 218.256 1.711 10 0 BDAERO COc1cc2c(cn1)[C@H]1[NH2+]CC[C@H]1CC2 ZINC000013907148 175026963 /nfs/dbraw/zinc/02/69/63/175026963.db2.gz PXBSPNGMNRTLCH-PELKAZGASA-N 1 0 204.273 1.687 10 0 BDAERO COc1cc2cc[nH+]c(N)c2c(OC)c1OC ZINC000071482613 175027452 /nfs/dbraw/zinc/02/74/52/175027452.db2.gz ZVZCVCOOGHUUFI-UHFFFAOYSA-N 1 0 234.255 1.843 10 0 BDAERO COc1ccc(C)cc1-c1c[nH]c(CC[NH3+])n1 ZINC000036876281 175071483 /nfs/dbraw/zinc/07/14/83/175071483.db2.gz ALSYYMFTLNYHOS-UHFFFAOYSA-N 1 0 231.299 1.895 10 0 BDAERO COc1ccc(C)cc1C(=O)N1CCC[NH2+]CC1 ZINC000052943280 175073078 /nfs/dbraw/zinc/07/30/78/175073078.db2.gz NDWPVFFGSUYOAI-UHFFFAOYSA-N 1 0 248.326 1.439 10 0 BDAERO COc1ccc(C)cc1CN(C)C(=O)[C@H](C)[NH3+] ZINC000040855505 175075578 /nfs/dbraw/zinc/07/55/78/175075578.db2.gz MDUSGDYCQVXPEG-JTQLQIEISA-N 1 0 236.315 1.309 10 0 BDAERO COc1ccc(C)cc1CO[C@H]1CC[NH2+]C1 ZINC000051782703 175075795 /nfs/dbraw/zinc/07/57/95/175075795.db2.gz LSYNFISRZIAKTR-LBPRGKRZSA-N 1 0 221.300 1.882 10 0 BDAERO COc1ccc(C)cc1C[C@H](O)[C@@H]1CCC[NH2+]1 ZINC000041266260 175076907 /nfs/dbraw/zinc/07/69/07/175076907.db2.gz PXTYIEHKGYXYQU-STQMWFEESA-N 1 0 235.327 1.659 10 0 BDAERO COc1ccc(C)cc1NC[C@H](O)CC[NH3+] ZINC000071531771 175078697 /nfs/dbraw/zinc/07/86/97/175078697.db2.gz XLDCHZSMUMWDQR-SNVBAGLBSA-N 1 0 224.304 1.125 10 0 BDAERO COc1ccc(CCCCN2CC[NH2+]CC2)cc1 ZINC000049836580 175089374 /nfs/dbraw/zinc/08/93/74/175089374.db2.gz WYKCQVBBEHFTPE-UHFFFAOYSA-N 1 0 248.370 1.923 10 0 BDAERO COc1ccc(CC[NH2+]C[C@@H](C)O)c(C)c1C ZINC000098126337 175091781 /nfs/dbraw/zinc/09/17/81/175091781.db2.gz SGDVJYUYYRWSRA-SNVBAGLBSA-N 1 0 237.343 1.825 10 0 BDAERO COc1ccc(CC[NH2+][C@@H](C)CO)c(C)c1C ZINC000098126335 175091855 /nfs/dbraw/zinc/09/18/55/175091855.db2.gz IQIFYKQJTHTKPP-JTQLQIEISA-N 1 0 237.343 1.825 10 0 BDAERO COc1ccc(CC[C@@H](C)[NH3+])cc1OC ZINC000009280629 175092423 /nfs/dbraw/zinc/09/24/23/175092423.db2.gz GKVCAXLHDBMIPO-SECBINFHSA-N 1 0 209.289 1.984 10 0 BDAERO COc1ccc(C[NH3+])cc1OCCOC(C)C ZINC000049258916 175097885 /nfs/dbraw/zinc/09/78/85/175097885.db2.gz HZMHRLIIZPZREP-UHFFFAOYSA-N 1 0 239.315 1.958 10 0 BDAERO COc1ccc(C[NH2+][C@H](C)CO)c(OC)c1C ZINC000098126526 175111021 /nfs/dbraw/zinc/11/10/21/175111021.db2.gz FMFJNXBASMVMGR-SECBINFHSA-N 1 0 239.315 1.483 10 0 BDAERO COc1ccc(CO)cc1OCC[NH+](C)C ZINC000020032326 175113563 /nfs/dbraw/zinc/11/35/63/175113563.db2.gz NMMRHXLPCQEKCH-UHFFFAOYSA-N 1 0 225.288 1.128 10 0 BDAERO COc1ccc(C[C@H]2CCC[NH2+]2)cc1OC ZINC000011630862 175117566 /nfs/dbraw/zinc/11/75/66/175117566.db2.gz PVZYPDMLAMMCDC-LLVKDONJSA-N 1 0 221.300 1.998 10 0 BDAERO COc1ccc(Cl)cc1C(=O)[C@H](C)[NH3+] ZINC000036159028 175120326 /nfs/dbraw/zinc/12/03/26/175120326.db2.gz NWPVQHHBFAQZES-LURJTMIESA-N 1 0 213.664 1.879 10 0 BDAERO COc1ccc(Cl)cc1CCOCC[NH3+] ZINC000057953395 175120679 /nfs/dbraw/zinc/12/06/79/175120679.db2.gz RFQCNQHOUVPLOE-UHFFFAOYSA-N 1 0 229.707 1.866 10 0 BDAERO COc1ccc(Cl)cc1[C@@H]1C[NH2+]CCN1 ZINC000041247801 175122265 /nfs/dbraw/zinc/12/22/65/175122265.db2.gz WJUNOQNPVRNIOA-JTQLQIEISA-N 1 0 226.707 1.583 10 0 BDAERO COc1ccc(Cl)cc1[C@@](O)(C[NH3+])C1CC1 ZINC000049830806 175123526 /nfs/dbraw/zinc/12/35/26/175123526.db2.gz WHRYHXTYPOETHF-GFCCVEGCSA-N 1 0 241.718 1.905 10 0 BDAERO COc1ccc(F)cc1[C@@H](O)C1CC[NH2+]CC1 ZINC000036164252 175132007 /nfs/dbraw/zinc/13/20/07/175132007.db2.gz BJIKWSDMVCMHIP-ZDUSSCGKSA-N 1 0 239.290 1.867 10 0 BDAERO COc1ccc(NC(=O)C[NH2+]C(C)C)cc1C ZINC000049532021 175142295 /nfs/dbraw/zinc/14/22/95/175142295.db2.gz PFNUKHGNRPAQQW-UHFFFAOYSA-N 1 0 236.315 1.940 10 0 BDAERO COc1ccc(NC2CC[NH2+]CC2)c(OC)c1 ZINC000038040494 175149361 /nfs/dbraw/zinc/14/93/61/175149361.db2.gz IYKSOCABPSCUDV-UHFFFAOYSA-N 1 0 236.315 1.868 10 0 BDAERO COc1ccc(NCC[NH+](C)C)c(OC)c1 ZINC000020041050 175151036 /nfs/dbraw/zinc/15/10/36/175151036.db2.gz UPIKISQXJOUPDU-UHFFFAOYSA-N 1 0 224.304 1.677 10 0 BDAERO COc1ccc(OC)c(C2=CC[NH2+]C2)c1 ZINC000066346921 175164853 /nfs/dbraw/zinc/16/48/53/175164853.db2.gz PGSXEODSYMSUBY-UHFFFAOYSA-N 1 0 205.257 1.690 10 0 BDAERO COc1ccc(OC)c(N(C)[C@@H](C)CC[NH3+])c1 ZINC000049829382 175166273 /nfs/dbraw/zinc/16/62/73/175166273.db2.gz OXYKCHQVZQIOHD-JTQLQIEISA-N 1 0 238.331 1.877 10 0 BDAERO COc1ccc(OC)c([C@H]([NH3+])[C@H]2CCCO2)c1 ZINC000019967585 175168702 /nfs/dbraw/zinc/16/87/02/175168702.db2.gz KUWYBDHSXZYAGG-OLZOCXBDSA-N 1 0 237.299 1.883 10 0 BDAERO COc1ccc(OC)c2c1C[NH2+]C[C@@H]2C ZINC000057494564 175170912 /nfs/dbraw/zinc/17/09/12/175170912.db2.gz HHQONHUAQWPXAE-QMMMGPOBSA-N 1 0 207.273 1.911 10 0 BDAERO COc1ccc(SC[C@H](O)CC[NH3+])cc1 ZINC000019687038 175175312 /nfs/dbraw/zinc/17/53/12/175175312.db2.gz BUMRYOQCLCGJIA-SECBINFHSA-N 1 0 227.329 1.497 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)cc1OC ZINC000033468685 175181384 /nfs/dbraw/zinc/18/13/84/175181384.db2.gz ZJOMFRYZKPIAFR-QWHCGFSZSA-N 1 0 239.315 1.721 10 0 BDAERO COc1ccc([C@@](C)([NH3+])CCO)cc1F ZINC000082533776 175186068 /nfs/dbraw/zinc/18/60/68/175186068.db2.gz YXTHFSBIYJFXRT-NSHDSACASA-N 1 0 213.252 1.391 10 0 BDAERO COc1ccc([C@@](C)([NH3+])CO)c(Cl)c1 ZINC000077307810 175186193 /nfs/dbraw/zinc/18/61/93/175186193.db2.gz XRDZBGMYWBGFTD-JTQLQIEISA-N 1 0 215.680 1.515 10 0 BDAERO COc1ccc([C@H]([NH3+])Cn2cccn2)cc1F ZINC000020261117 175191652 /nfs/dbraw/zinc/19/16/52/175191652.db2.gz MEFNAUZIMOVKBP-LLVKDONJSA-N 1 0 235.262 1.731 10 0 BDAERO COc1ccc([C@H]([NH3+])CN2CCCC2)cc1F ZINC000020260100 175192264 /nfs/dbraw/zinc/19/22/64/175192264.db2.gz WJCQYCBKNJPVHC-GFCCVEGCSA-N 1 0 238.306 1.930 10 0 BDAERO COc1ccc([C@H](O)C(C)(C)[NH3+])c(OC)c1 ZINC000019684279 175193594 /nfs/dbraw/zinc/19/35/94/175193594.db2.gz INWSNJYXSQJVMG-NSHDSACASA-N 1 0 225.288 1.475 10 0 BDAERO COc1ccc([C@H]2C[NH2+][C@H](C)CO2)c(OC)c1 ZINC000033466014 175196574 /nfs/dbraw/zinc/19/65/74/175196574.db2.gz WILLWMGGWYBKHU-NOZJJQNGSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCO2)c(OC)c1 ZINC000011803079 175196677 /nfs/dbraw/zinc/19/66/77/175196677.db2.gz ITZILVHZZAWYEH-GFCCVEGCSA-N 1 0 223.272 1.365 10 0 BDAERO COc1ccc2[nH]cc([C@@H]3C[C@H]3[NH3+])c2c1 ZINC000013782228 175202550 /nfs/dbraw/zinc/20/25/50/175202550.db2.gz QAYBFLBZFYNCJH-GZMMTYOYSA-N 1 0 202.257 1.991 10 0 BDAERO COc1ccc2c(c1)CCC[C@@]2(O)C[NH3+] ZINC000035278982 175207910 /nfs/dbraw/zinc/20/79/10/175207910.db2.gz XCTAJOGFZVNQAY-GFCCVEGCSA-N 1 0 207.273 1.178 10 0 BDAERO COc1ccc2c(c1)CC[C@]1(CC[NH2+]C1)O2 ZINC000036142047 175210100 /nfs/dbraw/zinc/21/01/00/175210100.db2.gz IJDVWIXDZLDTRX-CYBMUJFWSA-N 1 0 219.284 1.752 10 0 BDAERO COc1ccc2c(c1)[C@@H](NCC[NH3+])CCO2 ZINC000037713009 175214421 /nfs/dbraw/zinc/21/44/21/175214421.db2.gz DCOULJWERZEDKF-NSHDSACASA-N 1 0 222.288 1.067 10 0 BDAERO COc1ccc2c(c1)c(CC[NH3+])cn2C(C)=O ZINC000002517187 175217826 /nfs/dbraw/zinc/21/78/26/175217826.db2.gz YJPIGAIKUZMOQA-UHFFFAOYSA-N 1 0 232.283 1.811 10 0 BDAERO COc1ccc2c(c1)oc(=O)c1c2CC[NH2+]C1 ZINC000039405447 175223618 /nfs/dbraw/zinc/22/36/18/175223618.db2.gz AUKFKEACDMPZAR-UHFFFAOYSA-N 1 0 231.251 1.447 10 0 BDAERO COc1ccc2cc(C[C@H](C[NH3+])CO)ccc2c1 ZINC000019264992 175224698 /nfs/dbraw/zinc/22/46/98/175224698.db2.gz NLOWRNIVENDFLU-GFCCVEGCSA-N 1 0 245.322 1.958 10 0 BDAERO COc1ccc2ccccc2c1[C@H](N)C[NH3+] ZINC000035676910 175226610 /nfs/dbraw/zinc/22/66/10/175226610.db2.gz QMBWHOADXOMFNB-LLVKDONJSA-N 1 0 216.284 1.807 10 0 BDAERO COc1ccc2ccnc(NCC[NH3+])c2c1 ZINC000082766037 175226885 /nfs/dbraw/zinc/22/68/85/175226885.db2.gz NXWCKPIGROAQFG-UHFFFAOYSA-N 1 0 217.272 1.614 10 0 BDAERO COc1ccc2ncc(CC[NH3+])cc2c1 ZINC000082162708 175230275 /nfs/dbraw/zinc/23/02/75/175230275.db2.gz AMVRUBUZNZPNOR-UHFFFAOYSA-N 1 0 202.257 1.745 10 0 BDAERO COc1cccc(-c2cc(C[NH3+])[nH]n2)c1 ZINC000020270455 175233344 /nfs/dbraw/zinc/23/33/44/175233344.db2.gz OGZJJQANBNGSAS-UHFFFAOYSA-N 1 0 203.245 1.544 10 0 BDAERO COc1cccc(-c2c[nH]c(C[NH3+])n2)c1 ZINC000036870971 175233362 /nfs/dbraw/zinc/23/33/62/175233362.db2.gz KQKGNSGBFGIRFI-UHFFFAOYSA-N 1 0 203.245 1.544 10 0 BDAERO COc1cccc(-n2ccc(C[NH3+])n2)c1 ZINC000082639304 175238281 /nfs/dbraw/zinc/23/82/81/175238281.db2.gz QBOQPSJWSOMPLY-UHFFFAOYSA-N 1 0 203.245 1.340 10 0 BDAERO COc1cccc(-n2cncc2CC[NH3+])c1 ZINC000076646311 175240098 /nfs/dbraw/zinc/24/00/98/175240098.db2.gz ZFJFNJATMFMBOD-UHFFFAOYSA-N 1 0 217.272 1.382 10 0 BDAERO COc1cccc(CCn2cncc2C[NH3+])c1 ZINC000076678372 175253498 /nfs/dbraw/zinc/25/34/98/175253498.db2.gz BPTIEYJKBGXUDA-UHFFFAOYSA-N 1 0 231.299 1.593 10 0 BDAERO COc1cccc(C[NH3+])c1O[C@@H]1CCCOC1 ZINC000076683794 175256929 /nfs/dbraw/zinc/25/69/29/175256929.db2.gz ZNOPTZNZBVQMBX-LLVKDONJSA-N 1 0 237.299 1.712 10 0 BDAERO COc1cccc(C[NH2+]CCc2c[nH]cn2)c1 ZINC000045946273 175264843 /nfs/dbraw/zinc/26/48/43/175264843.db2.gz QCXZCEKULGQRMF-UHFFFAOYSA-N 1 0 231.299 1.751 10 0 BDAERO COc1cccc(C[NH2+][C@@H]2CCO[C@H]2C)n1 ZINC000121010544 175267212 /nfs/dbraw/zinc/26/72/12/175267212.db2.gz ZGQFNZRSKAMPRY-GXSJLCMTSA-N 1 0 222.288 1.357 10 0 BDAERO COc1cccc(COCCCC(N)=[NH2+])c1 ZINC000019504648 175269758 /nfs/dbraw/zinc/26/97/58/175269758.db2.gz WIJGKNJQOQEUEU-UHFFFAOYSA-N 1 0 222.288 1.928 10 0 BDAERO COc1cccc(C[C@@]2(C[NH3+])CCOC2)c1 ZINC000054637581 175271620 /nfs/dbraw/zinc/27/16/20/175271620.db2.gz RTIFJCUZADSWFV-CYBMUJFWSA-N 1 0 221.300 1.603 10 0 BDAERO COc1cccc(C[C@@]2(O)CCC[NH2+]C2)c1 ZINC000071522988 175271725 /nfs/dbraw/zinc/27/17/25/175271725.db2.gz FYOVYJVMLMOTDZ-ZDUSSCGKSA-N 1 0 221.300 1.352 10 0 BDAERO COc1cccc(Cc2nc(C[NH3+])c[nH]2)c1 ZINC000062820830 175272581 /nfs/dbraw/zinc/27/25/81/175272581.db2.gz RKYNXEFLDPSPOY-UHFFFAOYSA-N 1 0 217.272 1.468 10 0 BDAERO COc1cccc(Cc2nc([C@H](C)C[NH3+])no2)c1 ZINC000054158840 175272808 /nfs/dbraw/zinc/27/28/08/175272808.db2.gz CABDYKCYZLAAGN-SECBINFHSA-N 1 0 247.298 1.731 10 0 BDAERO COc1cccc(NC(=O)N[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000063174364 175277000 /nfs/dbraw/zinc/27/70/00/175277000.db2.gz LMBZCFANOBIDGD-RYUDHWBXSA-N 1 0 249.314 1.697 10 0 BDAERO COc1cccc(OCC[C@H]2CCC[NH2+]C2)n1 ZINC000104116246 175283532 /nfs/dbraw/zinc/28/35/32/175283532.db2.gz LUDBZKOHNOTTAN-LLVKDONJSA-N 1 0 236.315 1.859 10 0 BDAERO COc1cccc([C@@H]([NH3+])[C@H](C)S(C)(=O)=O)c1 ZINC000075429467 175289062 /nfs/dbraw/zinc/28/90/62/175289062.db2.gz YFJYDLNIGUCVTJ-KWQFWETISA-N 1 0 243.328 1.128 10 0 BDAERO COc1cccc([C@@H]2C[NH2+]CCCO2)c1 ZINC000035598707 175290370 /nfs/dbraw/zinc/29/03/70/175290370.db2.gz WDCGGULHWSHCIF-LBPRGKRZSA-N 1 0 207.273 1.746 10 0 BDAERO COc1cccc([C@@H]2C[NH2+]CCO2)c1OC ZINC000083041838 175290773 /nfs/dbraw/zinc/29/07/73/175290773.db2.gz XLNKEVDATLYCQT-NSHDSACASA-N 1 0 223.272 1.365 10 0 BDAERO COc1cccc([C@H]([NH3+])Cc2ncc[nH]2)c1 ZINC000034977377 175294038 /nfs/dbraw/zinc/29/40/38/175294038.db2.gz SSDBHRDKFAXLLC-LLVKDONJSA-N 1 0 217.272 1.661 10 0 BDAERO COc1cccc([S@@](=O)C[C@H]2CCC[NH2+]2)c1 ZINC000083294978 175297419 /nfs/dbraw/zinc/29/74/19/175297419.db2.gz VOGSROIVUQPPPQ-QLJPJBMISA-N 1 0 239.340 1.555 10 0 BDAERO COc1cccc2c1CCC[C@H]([NH3+])[C@@H]2O ZINC000008699461 175300730 /nfs/dbraw/zinc/30/07/30/175300730.db2.gz KOADUGGYCOIATC-CMPLNLGQSA-N 1 0 207.273 1.392 10 0 BDAERO COc1cccc2c1S(=O)(=O)CCC[C@H]2[NH3+] ZINC000041030807 175305055 /nfs/dbraw/zinc/30/50/55/175305055.db2.gz WMOXPYHKYSGIQG-SECBINFHSA-N 1 0 241.312 1.263 10 0 BDAERO COc1cccc2c1[S@@](=O)CC[C@H]2[NH3+] ZINC000041031240 175305740 /nfs/dbraw/zinc/30/57/40/175305740.db2.gz SVRYTCJPAVZART-XLKFXECMSA-N 1 0 211.286 1.206 10 0 BDAERO COc1cccc2c1ccn2C[C@H](C)[NH3+] ZINC000013764785 175306519 /nfs/dbraw/zinc/30/65/19/175306519.db2.gz RMVMBPYOHHFMEV-VIFPVBQESA-N 1 0 204.273 1.997 10 0 BDAERO COc1cccc2c1nc(N)n2CCC[NH+](C)C ZINC000013675165 175306632 /nfs/dbraw/zinc/30/66/32/175306632.db2.gz MUQHONXLYOIJKS-UHFFFAOYSA-N 1 0 248.330 1.579 10 0 BDAERO COc1ccccc1-c1nc(CCC[NH3+])no1 ZINC000019682264 175311262 /nfs/dbraw/zinc/31/12/62/175311262.db2.gz KCEJNWMOTVSNIR-UHFFFAOYSA-N 1 0 233.271 1.637 10 0 BDAERO COc1ccccc1C(=O)N(CC[NH3+])C(C)C ZINC000020183223 175316431 /nfs/dbraw/zinc/31/64/31/175316431.db2.gz GIIWOJVTAGEGAM-UHFFFAOYSA-N 1 0 236.315 1.505 10 0 BDAERO COc1ccccc1C(=O)CN1CCC([NH3+])CC1 ZINC000050158364 175316837 /nfs/dbraw/zinc/31/68/37/175316837.db2.gz XERPJUMLJYTSGW-UHFFFAOYSA-N 1 0 248.326 1.301 10 0 BDAERO COc1ccccc1CC(=O)[C@@H]1CCC[NH2+]1 ZINC000041232478 175321406 /nfs/dbraw/zinc/32/14/06/175321406.db2.gz IYNVSNZSTLRWPF-NSHDSACASA-N 1 0 219.284 1.559 10 0 BDAERO COc1ccccc1CCN1CC[NH2+][C@@H](C)C1 ZINC000071544661 175322687 /nfs/dbraw/zinc/32/26/87/175322687.db2.gz FEZJIKSSHIDMMJ-LBPRGKRZSA-N 1 0 234.343 1.531 10 0 BDAERO COc1ccccc1CC[NH2+][C@@H](C)CO ZINC000098123915 175323267 /nfs/dbraw/zinc/32/32/67/175323267.db2.gz HSTRVJKTZVJYAK-JTQLQIEISA-N 1 0 209.289 1.208 10 0 BDAERO COc1ccccc1CN1CC[NH2+]CC[C@@H]1C ZINC000071544624 175326982 /nfs/dbraw/zinc/32/69/82/175326982.db2.gz KUJZIMONTPVVFC-LBPRGKRZSA-N 1 0 234.343 1.879 10 0 BDAERO COc1ccccc1C[C@H]([NH3+])CN(C)C ZINC000071511245 175333851 /nfs/dbraw/zinc/33/38/51/175333851.db2.gz AVIDOSCHSPPFLR-NSHDSACASA-N 1 0 208.305 1.127 10 0 BDAERO COc1ccccc1N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000049972300 175335262 /nfs/dbraw/zinc/33/52/62/175335262.db2.gz DZKWGPKOVNJKRR-JTQLQIEISA-N 1 0 234.299 1.410 10 0 BDAERO COc1ccccc1O[C@@H]1CCC[C@H]1[NH3+] ZINC000022563639 175342827 /nfs/dbraw/zinc/34/28/27/175342827.db2.gz PHWWMBAWCPINOL-NXEZZACHSA-N 1 0 207.273 1.954 10 0 BDAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])n1ccnc1 ZINC000043098672 175348244 /nfs/dbraw/zinc/34/82/44/175348244.db2.gz NMGWJQUUZJCFQE-GXFFZTMASA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccccc1[C@@]1(O)C[NH+]2CCC1CC2 ZINC000013740314 175349804 /nfs/dbraw/zinc/34/98/04/175349804.db2.gz BDNLTWLFUUNXAT-CQSZACIVSA-N 1 0 233.311 1.608 10 0 BDAERO COc1ccccc1[C@H]([NH3+])Cn1ccccc1=O ZINC000023068079 175353810 /nfs/dbraw/zinc/35/38/10/175353810.db2.gz RKHGXZTUXZMEOP-GFCCVEGCSA-N 1 0 244.294 1.557 10 0 BDAERO COc1ccccc1[C@H](C[NH3+])n1nc(C)nc1C ZINC000043098851 175353827 /nfs/dbraw/zinc/35/38/27/175353827.db2.gz GYSASBYLRYKQLR-LBPRGKRZSA-N 1 0 246.314 1.452 10 0 BDAERO 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224.348 1.537 10 0 BDAERO C[C@@H]1CCC[C@]([NH3+])(Cc2cnn(C)c2)C1 ZINC000050541562 176152326 /nfs/dbraw/zinc/15/23/26/176152326.db2.gz DCZAPEUOQXWQHF-ZYHUDNBSSA-N 1 0 207.321 1.870 10 0 BDAERO C[C@@H]1CCN(C(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000051730792 176157428 /nfs/dbraw/zinc/15/74/28/176157428.db2.gz XKBMLEGIDKMTAE-GHMZBOCLSA-N 1 0 225.336 1.132 10 0 BDAERO C[C@@H]1CC[N@@H+](C2CCC2)CC[S@]1=O ZINC000306997473 176166199 /nfs/dbraw/zinc/16/61/99/176166199.db2.gz WIFZIRARZXZEDY-NOZJJQNGSA-N 1 0 201.335 1.382 10 0 BDAERO C[C@@H]1CCN(Cc2ccncc2)CCC[NH2+]1 ZINC000049666601 176176970 /nfs/dbraw/zinc/17/69/70/176176970.db2.gz SWOYGLOWUMVVCX-GFCCVEGCSA-N 1 0 219.332 1.656 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H](Cc2ccc(O)cc2)[C@]1(C)O ZINC000256005459 176186674 /nfs/dbraw/zinc/18/66/74/176186674.db2.gz UWHJCCFMSZBKEU-DDTOSNHZSA-N 1 0 235.327 1.684 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCOC2)C[C@@H]1[NH3+] ZINC000103966493 176196830 /nfs/dbraw/zinc/19/68/30/176196830.db2.gz 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/nfs/dbraw/zinc/30/74/91/176307491.db2.gz KXGNOFQGPQNBEF-GHMZBOCLSA-N 1 0 220.316 1.878 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1cccnc1)N1CCCO[C@H](C)C1 ZINC000061913524 176315076 /nfs/dbraw/zinc/31/50/76/176315076.db2.gz NUJPVMXQLGLOQR-YRGRVCCFSA-N 1 0 249.358 1.581 10 0 BDAERO C[C@@H]1CN(c2ccc3c(n2)CCCC3=O)C[C@H]1[NH3+] ZINC000333498337 176319002 /nfs/dbraw/zinc/31/90/02/176319002.db2.gz FDGDHJWANBTUHD-MWLCHTKSSA-N 1 0 245.326 1.384 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccnc1 ZINC000083550914 176322666 /nfs/dbraw/zinc/32/26/66/176322666.db2.gz TVVUDFKGUVNOLM-TZMCWYRMSA-N 1 0 231.343 1.750 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccncc1 ZINC000247234064 176322955 /nfs/dbraw/zinc/32/29/55/176322955.db2.gz MTTOPLXPJPHZAC-YPMHNXCESA-N 1 0 245.326 1.390 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCCO ZINC000082699511 176323237 /nfs/dbraw/zinc/32/32/37/176323237.db2.gz RKQFULUDPPPFOA-CHWSQXEVSA-N 1 0 226.364 1.318 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c[nH]nc21 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BDAERO C[N@H+](CCN1CCCC1)C[C@H]1CCC[C@H](O)C1 ZINC000383529133 487636119 /nfs/dbraw/zinc/63/61/19/487636119.db2.gz QJDNQAXGJYJRRH-KBPBESRZSA-N 1 0 240.391 1.565 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])c1nc2c(cccc2Cl)[nH]1 ZINC000037443771 177006109 /nfs/dbraw/zinc/00/61/09/177006109.db2.gz IOQQZUKUGRTELQ-YLWLKBPMSA-N 1 0 225.679 1.597 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])c1nc2ccc(F)cc2n1C1CC1 ZINC000052125143 177006726 /nfs/dbraw/zinc/00/67/26/177006726.db2.gz RONFWLFAVXLKAJ-JVXZTZIISA-N 1 0 249.289 1.891 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)CC[NH2+]C1CC1 ZINC000049547449 177017738 /nfs/dbraw/zinc/01/77/38/177017738.db2.gz XYHOHCREBNSVHU-JTQLQIEISA-N 1 0 248.326 1.821 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1ccccc1[C@H](C)O ZINC000042477054 177017944 /nfs/dbraw/zinc/01/79/44/177017944.db2.gz RPWWQHVQZXZACY-SFYZADRCSA-N 1 0 208.261 1.026 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)C[NH2+]C1CC1 ZINC000049547438 177018196 /nfs/dbraw/zinc/01/81/96/177018196.db2.gz YWRPEOBAIFAQKT-VIFPVBQESA-N 1 0 234.299 1.430 10 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10 0 BDAERO C[C@H]1CCN(C(=O)NC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000235585543 177149268 /nfs/dbraw/zinc/14/92/68/177149268.db2.gz IHOFVOBSTJNUKT-VHSXEESVSA-N 1 0 227.352 1.554 10 0 BDAERO C[C@H]1CCN(CCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000235596914 177158794 /nfs/dbraw/zinc/15/87/94/177158794.db2.gz RPTIFGVAPJKDJJ-DTWKUNHWSA-N 1 0 224.270 1.998 10 0 BDAERO C[C@H]1CC[N@H+](CC2(O)CCC2)CCS1 ZINC000335819494 177159473 /nfs/dbraw/zinc/15/94/73/177159473.db2.gz ABZRFLCIYKOCRE-JTQLQIEISA-N 1 0 215.362 1.729 10 0 BDAERO C[C@H]1CC[N@H+](Cc2ccc(O)c(N)c2)C1 ZINC000040716961 177163072 /nfs/dbraw/zinc/16/30/72/177163072.db2.gz HBDQJSGNERCXLW-VIFPVBQESA-N 1 0 206.289 1.816 10 0 BDAERO C[C@H]1CC[C@@H](C(=O)N2CCc3ccccc32)C[NH2+]1 ZINC000019518112 177181119 /nfs/dbraw/zinc/18/11/19/177181119.db2.gz SWUHGAJSIVZESK-WCQYABFASA-N 1 0 244.338 1.964 10 0 BDAERO C[C@H]1CC[C@@H](C(=O)NC2CCCCC2)C[NH2+]1 ZINC000019517861 177181416 /nfs/dbraw/zinc/18/14/16/177181416.db2.gz ZPCOBJRSNQGSGY-WDEREUQCSA-N 1 0 224.348 1.823 10 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BDAERO C[C@H]1CN(Cc2ccc(C[NH3+])o2)CC(C)(C)O1 ZINC000052543474 177261900 /nfs/dbraw/zinc/26/19/00/177261900.db2.gz WMSMSULPBMQHBH-JTQLQIEISA-N 1 0 238.331 1.738 10 0 BDAERO C[C@H]1CN(Cc2cccc(C(N)=[NH2+])c2)CCO1 ZINC000019488308 177265249 /nfs/dbraw/zinc/26/52/49/177265249.db2.gz HLOPCNZIVZUCFJ-JTQLQIEISA-N 1 0 233.315 1.191 10 0 BDAERO C[C@@H](C[NH2+]C1CC1)N1CCCO[C@@H](C)C1 ZINC000061935570 177273804 /nfs/dbraw/zinc/27/38/04/177273804.db2.gz FNXSSNFOMCULRB-QWRGUYRKSA-N 1 0 212.337 1.238 10 0 BDAERO C[C@H]1CN([C@@H](C[NH3+])C2CCCC2)CCO1 ZINC000050272043 177274151 /nfs/dbraw/zinc/27/41/51/177274151.db2.gz XSXLRMJXKOXROE-JQWIXIFHSA-N 1 0 212.337 1.225 10 0 BDAERO C[C@H]1CN(c2nc3ccccc3[nH]2)C[C@H]1[NH+](C)C ZINC000270545679 177278488 /nfs/dbraw/zinc/27/84/88/177278488.db2.gz DQVIVOIYTOTVEC-GXFFZTMASA-N 1 0 244.342 1.949 10 0 BDAERO C[C@H]1C[NH+]=C(NC2CCOCC2)S1 ZINC000036320141 177281157 /nfs/dbraw/zinc/28/11/57/177281157.db2.gz SDGFTGHIWBIVJX-ZETCQYMHSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@H]1C[NH2+]CCN(c2ccc(F)cc2)C1 ZINC000049661380 177282386 /nfs/dbraw/zinc/28/23/86/177282386.db2.gz BNHYJWOICZCIDS-JTQLQIEISA-N 1 0 208.280 1.871 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](C)N1CCc1cccs1 ZINC000019801276 177286312 /nfs/dbraw/zinc/28/63/12/177286312.db2.gz LLXTXRAXGGNBAC-QWRGUYRKSA-N 1 0 224.373 1.973 10 0 BDAERO C[C@H]1COCCN1[C@H](C[NH3+])CC(C)(C)C ZINC000061839781 177293833 /nfs/dbraw/zinc/29/38/33/177293833.db2.gz XWAPSQJHVFYGGC-QWRGUYRKSA-N 1 0 214.353 1.471 10 0 BDAERO C[C@H]1COC[C@H](C)N1Cc1cnn(C)c1 ZINC000120795591 177299801 /nfs/dbraw/zinc/29/98/01/177299801.db2.gz VRMTVTJKYNYYOU-UWVGGRQHSA-N 1 0 209.293 1.029 10 0 BDAERO C[C@H]1COC[C@H](C)N1Cc1ccc(CO)o1 ZINC000093607151 177300272 /nfs/dbraw/zinc/30/02/72/177300272.db2.gz HHPPHCSPRIQMJS-UWVGGRQHSA-N 1 0 225.288 1.381 10 0 BDAERO C[C@H]1CSC(NC[C@@H]2CCCOC2)=[NH+]1 ZINC000044982350 177302835 /nfs/dbraw/zinc/30/28/35/177302835.db2.gz BOBMEVZDWQHBSE-IUCAKERBSA-N 1 0 214.334 1.494 10 0 BDAERO 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238.335 1.108 10 0 BDAERO C[C@H]1Cc2ccccc2N1CCN1CC[NH2+]CC1 ZINC000020179804 177390551 /nfs/dbraw/zinc/39/05/51/177390551.db2.gz RREQBUIZPYBAEX-ZDUSSCGKSA-N 1 0 245.370 1.343 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000282389956 177393085 /nfs/dbraw/zinc/39/30/85/177393085.db2.gz OXSCIXJWBFNJRS-PWSUYJOCSA-N 1 0 218.300 1.443 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCCCF ZINC000309137466 177393377 /nfs/dbraw/zinc/39/33/77/177393377.db2.gz SJLXQJGNQPOHSX-ZJUUUORDSA-N 1 0 216.300 1.383 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1NCc1cncs1 ZINC000306573407 177395155 /nfs/dbraw/zinc/39/51/55/177395155.db2.gz ICKDOTHAMDSGPW-SCZZXKLOSA-N 1 0 211.334 1.373 10 0 BDAERO C[C@](O)(C[NH3+])c1ccc(F)c(Br)c1 ZINC000061689961 177448264 /nfs/dbraw/zinc/44/82/64/177448264.db2.gz SNWLDPMTVLFRTB-VIFPVBQESA-N 1 0 248.095 1.754 10 0 BDAERO C[C@]1(C2=[NH+]CCN2)COc2ccccc2O1 ZINC000026002176 177459458 /nfs/dbraw/zinc/45/94/58/177459458.db2.gz ZGEFIXIHFLIXCM-GFCCVEGCSA-N 1 0 218.256 1.218 10 0 BDAERO 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BDAERO Cc1cncc(CN2CCC[C@H]2C[NH3+])c1 ZINC000228784871 487724437 /nfs/dbraw/zinc/72/44/37/487724437.db2.gz OTLLQMPHVZQIGD-LBPRGKRZSA-N 1 0 205.305 1.313 10 0 BDAERO C[C@@H](CNC(=O)C1CCC([NH3+])CC1)C[C@H](C)O ZINC000398655309 487724818 /nfs/dbraw/zinc/72/48/18/487724818.db2.gz ZTJUCVCQFLVFGX-QKEWWQLBSA-N 1 0 242.363 1.027 10 0 BDAERO C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250346339 487730604 /nfs/dbraw/zinc/73/06/04/487730604.db2.gz GPVKSZFLSGVBRF-JGPRNRPPSA-N 1 0 210.321 1.100 10 0 BDAERO O=C1NCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC000668424928 487731142 /nfs/dbraw/zinc/73/11/42/487731142.db2.gz CCRXWCKKXIOXOM-GFCCVEGCSA-N 1 0 224.348 1.825 10 0 BDAERO [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250994007 487745285 /nfs/dbraw/zinc/74/52/85/487745285.db2.gz CTWUHKVBLPLCTH-FVCCEPFGSA-N 1 0 236.359 1.620 10 0 BDAERO Cc1cccc(CC[N@H+]2C[C@H](O)CC[C@@H]2C)n1 ZINC000399788035 487753628 /nfs/dbraw/zinc/75/36/28/487753628.db2.gz ORFKLLJIANPAHN-GXTWGEPZSA-N 1 0 234.343 1.778 10 0 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230.311 1.542 10 0 BDAERO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252686434 487829474 /nfs/dbraw/zinc/82/94/74/487829474.db2.gz JSOHPVCRTLDTAH-LSCVPOLPSA-N 1 0 224.348 1.522 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000252758533 487833641 /nfs/dbraw/zinc/83/36/41/487833641.db2.gz CIYIPGLIFUJYBZ-NGDQXYMTSA-N 1 0 222.332 1.228 10 0 BDAERO C[C@@]1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCC[NH2+]C1 ZINC000252873939 487837035 /nfs/dbraw/zinc/83/70/35/487837035.db2.gz PRUUAYSTKSMXHR-GFQSEFKGSA-N 1 0 236.359 1.538 10 0 BDAERO Cc1cccc2c1CCN2C(=O)[C@H]1CC[NH2+]C1 ZINC000153952357 487843102 /nfs/dbraw/zinc/84/31/02/487843102.db2.gz OOQBDTFGIDJOSO-NSHDSACASA-N 1 0 230.311 1.494 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)O)n(C)n1 ZINC000309057678 631833084 /nfs/dbraw/zinc/83/30/84/631833084.db2.gz VCVQOCFGBXLGLQ-UTLUCORTSA-N 1 0 211.309 1.148 10 0 BDAERO CC1(C)CC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000395281176 487849013 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CC(C)c1nccnc1N1CC[C@H]1C[NH3+] ZINC000757139875 586427790 /nfs/dbraw/zinc/42/77/90/586427790.db2.gz CYXJUUIDFWTZOO-VIFPVBQESA-N 1 0 206.293 1.137 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1ncc[nH]1 ZINC000757185836 586434179 /nfs/dbraw/zinc/43/41/79/586434179.db2.gz AXYWUFIVKNNREK-IUCAKERBSA-N 1 0 237.303 1.054 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc[nH]c1 ZINC000757185858 586434258 /nfs/dbraw/zinc/43/42/58/586434258.db2.gz BAYOSEQWIZVVMX-MNOVXSKESA-N 1 0 236.315 1.659 10 0 BDAERO [NH3+]Cc1ccc([C@H]2CCC[NH2+][C@@H]2C(=O)[O-])cc1 ZINC000757206848 586437465 /nfs/dbraw/zinc/43/74/65/586437465.db2.gz AQAFHFGWBOLBCM-NEPJUHHUSA-N 1 0 234.299 1.066 10 0 BDAERO NC[C@H]1CC[C@H](c2ccc(C=O)s2)C[NH2+]1 ZINC000757211645 586438798 /nfs/dbraw/zinc/43/87/98/586438798.db2.gz HZLOBHZNLCJRHN-DTWKUNHWSA-N 1 0 224.329 1.355 10 0 BDAERO NC[C@H]1CC[C@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757212626 586439405 /nfs/dbraw/zinc/43/94/05/586439405.db2.gz JOEYGJKCFQYAMG-NWDGAFQWSA-N 1 0 229.327 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/nfs/dbraw/zinc/05/97/27/712059727.db2.gz BUKAAZIJXJMAJR-ARHDFHRDSA-N 1 0 237.303 1.417 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ncnc2[nH]ccc21 ZINC000705201425 712124369 /nfs/dbraw/zinc/12/43/69/712124369.db2.gz PZJWRECZYJULBX-JTQLQIEISA-N 1 0 245.330 1.536 10 0 BDAERO Cc1cocc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000705220224 712124778 /nfs/dbraw/zinc/12/47/78/712124778.db2.gz YVAXMOCJCGAGDN-LURJTMIESA-N 1 0 207.233 1.700 10 0 BDAERO C[C@@H]([NH2+]C1CC(CO)C1)C1(Cl)CC1 ZINC000705166650 712125049 /nfs/dbraw/zinc/12/50/49/712125049.db2.gz OPMKUYBXVXSCNE-AFPNSQJFSA-N 1 0 203.713 1.507 10 0 BDAERO OCC1CC([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000705168835 712125458 /nfs/dbraw/zinc/12/54/58/712125458.db2.gz VLERKLOHUJSMCR-VYDKLHFJSA-N 1 0 209.333 1.926 10 0 BDAERO CO[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC000706532175 712149289 /nfs/dbraw/zinc/14/92/89/712149289.db2.gz KPJYNISTGJULNI-JOCQHMNTSA-N 1 0 205.301 1.996 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000706699044 712152646 /nfs/dbraw/zinc/15/26/46/712152646.db2.gz GYBJXCREMWQXJI-OLSMOAAXSA-N 1 0 243.372 1.152 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000706699672 712152722 /nfs/dbraw/zinc/15/27/22/712152722.db2.gz PDQCBPCXPMGIGC-KAKVVRBNSA-N 1 0 225.332 1.305 10 0 BDAERO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCOC[C@H]1O ZINC000706734199 712153125 /nfs/dbraw/zinc/15/31/25/712153125.db2.gz PHOODMRCHJYGKB-OUAUKWLOSA-N 1 0 215.337 1.551 10 0 BDAERO CSC1CC([NH2+][C@@H]2CO[C@H](C)[C@H]2C)C1 ZINC000706890512 712159001 /nfs/dbraw/zinc/15/90/01/712159001.db2.gz ZRHCSEYPPSBNLG-NBQXLRJMSA-N 1 0 215.362 1.893 10 0 BDAERO C[C@H]1COC[C@H](C)N1C(=O)CC[NH2+]C(C)(C)C ZINC000708330034 712187431 /nfs/dbraw/zinc/18/74/31/712187431.db2.gz KYYHIMUTQUFPLX-QWRGUYRKSA-N 1 0 242.363 1.400 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000708406595 712192502 /nfs/dbraw/zinc/19/25/02/712192502.db2.gz VIBXEYFESYKBPB-GHMZBOCLSA-N 1 0 229.364 1.798 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1CO ZINC000708686378 712197032 /nfs/dbraw/zinc/19/70/32/712197032.db2.gz JDPPZKGWJUTLNF-RGDJUOJXSA-N 1 0 223.360 1.983 10 0 BDAERO C[C@@H]1C[N@H+](CCOC2CCCCC2)C[C@H]1CO ZINC000708698127 712197733 /nfs/dbraw/zinc/19/77/33/712197733.db2.gz LFLWHVVHNYXYGL-OLZOCXBDSA-N 1 0 241.375 1.896 10 0 BDAERO C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1C[NH3+] ZINC000708857180 712201259 /nfs/dbraw/zinc/20/12/59/712201259.db2.gz KOOHLALXQJOWAJ-YUMQZZPRSA-N 1 0 232.274 1.085 10 0 BDAERO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000709769683 712219044 /nfs/dbraw/zinc/21/90/44/712219044.db2.gz FTKHGIXUYKWKHQ-WYUUTHIRSA-N 1 0 240.347 1.058 10 0 BDAERO Cc1c(C[NH2+]CCc2ccns2)cnn1C ZINC000709815668 712228389 /nfs/dbraw/zinc/22/83/89/712228389.db2.gz ZPYYYDPLDARQSJ-UHFFFAOYSA-N 1 0 236.344 1.517 10 0 BDAERO CC[N@@H+]1CC[C@@H](N[C@@H](C)c2cn(C)cn2)C1 ZINC000709951646 712234486 /nfs/dbraw/zinc/23/44/86/712234486.db2.gz ZLJZANWQXDHJOT-WDEREUQCSA-N 1 0 222.336 1.165 10 0 BDAERO Cc1c(F)ncnc1N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000710163906 712246893 /nfs/dbraw/zinc/24/68/93/712246893.db2.gz DMVGSULAUSFSAO-WPRPVWTQSA-N 1 0 238.310 1.310 10 0 BDAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711028880 712275636 /nfs/dbraw/zinc/27/56/36/712275636.db2.gz FNZOBTANBGDDCO-DCAQKATOSA-N 1 0 242.363 1.027 10 0 BDAERO CC1(C)CC[C@H](CN[C@@H]2CC[NH2+]C2)OC1 ZINC000711387326 712296759 /nfs/dbraw/zinc/29/67/59/712296759.db2.gz YHROGBJBGWVAHC-GHMZBOCLSA-N 1 0 212.337 1.143 10 0 BDAERO CCOC(=O)c1ncc(C[NH2+][C@@H]2C[C@H]2C)s1 ZINC000711404483 712297777 /nfs/dbraw/zinc/29/77/77/712297777.db2.gz ICHXIBKAPZXQQK-VXNVDRBHSA-N 1 0 240.328 1.818 10 0 BDAERO Cc1c(C[NH2+]C[C@H]2CCC3(CCC3)O2)cnn1C ZINC000711488604 712306462 /nfs/dbraw/zinc/30/64/62/712306462.db2.gz OHOOTZPUEQYWJZ-CYBMUJFWSA-N 1 0 249.358 1.920 10 0 BDAERO C[C@@]1(c2nc(CC3CCC3)no2)C[NH2+]CCO1 ZINC000711534138 712310173 /nfs/dbraw/zinc/31/01/73/712310173.db2.gz LPIAYOTZAMHUOO-LBPRGKRZSA-N 1 0 237.303 1.247 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NCc2nccn2C2CC2)C1 ZINC000711747645 712323724 /nfs/dbraw/zinc/32/37/24/712323724.db2.gz UVUXAFDLPHFSQT-GFCCVEGCSA-N 1 0 248.374 1.792 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000711766182 712327260 /nfs/dbraw/zinc/32/72/60/712327260.db2.gz ROQNYPHWGGTKEY-NSHDSACASA-N 1 0 211.305 1.466 10 0 BDAERO COc1c(C[NH2+]C[C@@H]2C=CCC2)c(C)nn1C ZINC000711790034 712331072 /nfs/dbraw/zinc/33/10/72/712331072.db2.gz WCKSAGAGBWHEJQ-LLVKDONJSA-N 1 0 235.331 1.793 10 0 BDAERO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1C[C@H]1CO ZINC000378803932 712361858 /nfs/dbraw/zinc/36/18/58/712361858.db2.gz VVKOBOLIQBEOSB-KXUCPTDWSA-N 1 0 217.378 1.877 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000379246308 712371678 /nfs/dbraw/zinc/37/16/78/712371678.db2.gz AULJYZRXQFKFDS-XWLWVQCSSA-N 1 0 201.310 1.303 10 0 BDAERO CCCCOCc1nc(CC[NH2+]C)no1 ZINC000379453737 712385081 /nfs/dbraw/zinc/38/50/81/712385081.db2.gz LXIBJWFCFIVPDO-UHFFFAOYSA-N 1 0 213.281 1.148 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@H]1CCC2(CCC2)O1 ZINC000712437949 712430031 /nfs/dbraw/zinc/43/00/31/712430031.db2.gz MASLIUIWJNKMAR-NWDGAFQWSA-N 1 0 224.348 1.511 10 0 BDAERO CCCc1nccnc1NC[C@H]1CC[N@@H+]1CC ZINC000712591544 712435057 /nfs/dbraw/zinc/43/50/57/712435057.db2.gz JMHKGZUCVUELHG-LLVKDONJSA-N 1 0 234.347 1.935 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CC[NH2+]CCC2(C)C)O1 ZINC000712529646 712441644 /nfs/dbraw/zinc/44/16/44/712441644.db2.gz WYLAOOUVZMNSAI-GHMZBOCLSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C1CC1 ZINC000713117008 712452861 /nfs/dbraw/zinc/45/28/61/712452861.db2.gz FKCGUUYHKYVWHQ-ONGXEEELSA-N 1 0 226.364 1.911 10 0 BDAERO Cc1ccc(NC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)cc1C ZINC000713777524 712472408 /nfs/dbraw/zinc/47/24/08/712472408.db2.gz ZNDAIZYPWHXFPZ-WCQYABFASA-N 1 0 248.326 1.606 10 0 BDAERO CN(Cc1ccccc1)C(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713778493 712472412 /nfs/dbraw/zinc/47/24/12/712472412.db2.gz FBSAZOAXVABVOC-CHWSQXEVSA-N 1 0 248.326 1.009 10 0 BDAERO COCC1CC(NC(=O)C2([NH3+])CCCCC2)C1 ZINC000713944696 712474086 /nfs/dbraw/zinc/47/40/86/712474086.db2.gz FIEYVCVXANSEDI-UHFFFAOYSA-N 1 0 240.347 1.189 10 0 BDAERO COCC1CC([NH2+][C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000713951664 712474693 /nfs/dbraw/zinc/47/46/93/712474693.db2.gz CWUGLFDRFYUYTA-WNYYMSAVSA-N 1 0 235.331 1.904 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCC[C@@H]2OC)C1 ZINC000713963281 712475049 /nfs/dbraw/zinc/47/50/49/712475049.db2.gz WTIHUDYVUQKTFV-HCWSGVFWSA-N 1 0 213.321 1.569 10 0 BDAERO COCC1CC([NH2+][C@@H]2C[C@@H](OC)C23CCC3)C1 ZINC000713971625 712475371 /nfs/dbraw/zinc/47/53/71/712475371.db2.gz RWNCOXQDLCRRJT-FIYWTHMPSA-N 1 0 239.359 1.959 10 0 BDAERO COCC1CC([NH2+]Cc2cnn3ccccc23)C1 ZINC000713982364 712476229 /nfs/dbraw/zinc/47/62/29/712476229.db2.gz XNGJNHMVVVGTLQ-UHFFFAOYSA-N 1 0 245.326 1.849 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](c2nc(C3CCCC3)no2)CO1 ZINC000714061121 712477709 /nfs/dbraw/zinc/47/77/09/712477709.db2.gz TWCYUCWZQOTCFW-UWVGGRQHSA-N 1 0 237.303 1.558 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](c2nc([C@@H]3CC34CC4)no2)CO1 ZINC000714062599 712477713 /nfs/dbraw/zinc/47/77/13/712477713.db2.gz HNXGXGSJAWEFKL-CIUDSAMLSA-N 1 0 235.287 1.168 10 0 BDAERO [NH3+]C[C@H]1C[C@H](c2nc(-c3ccccc3)no2)CO1 ZINC000714060995 712477920 /nfs/dbraw/zinc/47/79/20/712477920.db2.gz ADOWSJCADFKTOH-WDEREUQCSA-N 1 0 245.282 1.568 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](c2nc(CC3CCC3)no2)CO1 ZINC000714059725 712477925 /nfs/dbraw/zinc/47/79/25/712477925.db2.gz PCSHKTOUFFQDHV-UWVGGRQHSA-N 1 0 237.303 1.243 10 0 BDAERO [NH3+]C[C@H]1C[C@@H](c2nc(C3CCCC3)no2)CO1 ZINC000714061120 712478003 /nfs/dbraw/zinc/47/80/03/712478003.db2.gz TWCYUCWZQOTCFW-NXEZZACHSA-N 1 0 237.303 1.558 10 0 BDAERO CO[C@H]1C[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000714613757 712488257 /nfs/dbraw/zinc/48/82/57/712488257.db2.gz MFFYQKDWOROJGT-JZRPKSSGSA-N 1 0 239.359 1.815 10 0 BDAERO CCC1([NH3+])CCN(c2nccc(OC)n2)CC1 ZINC000714752098 712497189 /nfs/dbraw/zinc/49/71/89/712497189.db2.gz OGQJBDMZVPRPLF-UHFFFAOYSA-N 1 0 236.319 1.193 10 0 BDAERO [NH3+]C1CC(CNC(=O)/C=C/c2cccs2)C1 ZINC000715093320 712507931 /nfs/dbraw/zinc/50/79/31/712507931.db2.gz ZQTNVXMPULBIBM-ONEGZZNKSA-N 1 0 236.340 1.615 10 0 BDAERO Cc1noc2ncnc(NCC3CC([NH3+])C3)c12 ZINC000715094415 712508026 /nfs/dbraw/zinc/50/80/26/712508026.db2.gz SXUKYFZNGUNSBZ-UHFFFAOYSA-N 1 0 233.275 1.075 10 0 BDAERO [NH3+]C1CC(CNc2cncc(Cl)n2)C1 ZINC000715110324 712509569 /nfs/dbraw/zinc/50/95/69/712509569.db2.gz QTAQPVGUNHCMGE-UHFFFAOYSA-N 1 0 212.684 1.279 10 0 BDAERO CCCOc1nccnc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715125818 712510867 /nfs/dbraw/zinc/51/08/67/712510867.db2.gz PXOVCJKLJORPQR-AOOOYVTPSA-N 1 0 236.319 1.415 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ncnc3[nH]ccc32)C1 ZINC000715125017 712510956 /nfs/dbraw/zinc/51/09/56/712510956.db2.gz GTQBFJLLOGDCMW-OCAPTIKFSA-N 1 0 217.276 1.107 10 0 BDAERO O=C(N1CCCC1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715469698 712520135 /nfs/dbraw/zinc/52/01/35/712520135.db2.gz VJFDBBQEZZJQBI-DGCLKSJQSA-N 1 0 222.332 1.389 10 0 BDAERO O=C(N1C[C@@H]2C[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715367876 712521831 /nfs/dbraw/zinc/52/18/31/712521831.db2.gz RFINTPYTQMKUGD-GFQSEFKGSA-N 1 0 234.343 1.245 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000715505164 712524136 /nfs/dbraw/zinc/52/41/36/712524136.db2.gz HNBAQXGJBVHFNN-RFGFWPKPSA-N 1 0 239.359 1.504 10 0 BDAERO CCCn1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)nn1 ZINC000715881259 712539350 /nfs/dbraw/zinc/53/93/50/712539350.db2.gz IYXCSJOMHJPEAK-LPEHRKFASA-N 1 0 226.324 1.108 10 0 BDAERO CCOC1CC([NH2+][C@@H](C)c2cn(C)nn2)C1 ZINC000715882954 712539940 /nfs/dbraw/zinc/53/99/40/712539940.db2.gz LMSMEDGCERUOOY-IDKOKCKLSA-N 1 0 224.308 1.033 10 0 BDAERO CC1(CC[NH2+]CCc2ccccc2)OCCO1 ZINC000715905772 712541925 /nfs/dbraw/zinc/54/19/25/712541925.db2.gz DFJGAVOPMUNVHT-UHFFFAOYSA-N 1 0 235.327 1.972 10 0 BDAERO CSC1CC([NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716140295 712549587 /nfs/dbraw/zinc/54/95/87/712549587.db2.gz UXWIGQFDDFYDLP-UHFFFAOYSA-N 1 0 249.401 1.046 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n1 ZINC000716453764 712562112 /nfs/dbraw/zinc/56/21/12/712562112.db2.gz VUKNKHVXADFFRI-UTINFBMNSA-N 1 0 221.304 1.591 10 0 BDAERO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000716457738 712562344 /nfs/dbraw/zinc/56/23/44/712562344.db2.gz AVBACQRICGJVAL-VWVKQTBJSA-N 1 0 248.370 1.678 10 0 BDAERO Cc1cc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)cs1 ZINC000716681855 712569953 /nfs/dbraw/zinc/56/99/53/712569953.db2.gz DLVTWCNOTPMNHA-FKTRJACZSA-N 1 0 238.356 1.971 10 0 BDAERO C[C@H](CC1CCCC1)[NH2+]C1CC(C(N)=O)C1 ZINC000716721899 712570654 /nfs/dbraw/zinc/57/06/54/712570654.db2.gz GJSAGWYOYSKEMC-OIKLOGQESA-N 1 0 224.348 1.809 10 0 BDAERO COc1ccc(C)cc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716730530 712571053 /nfs/dbraw/zinc/57/10/53/712571053.db2.gz FCESZZQXGBCQFU-UHFFFAOYSA-N 1 0 248.326 1.357 10 0 BDAERO CCOc1ccc(C[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716730546 712571169 /nfs/dbraw/zinc/57/11/69/712571169.db2.gz FGMSFAAZELJEGI-UHFFFAOYSA-N 1 0 248.326 1.439 10 0 BDAERO COc1ccc([C@H](C)[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716733263 712571598 /nfs/dbraw/zinc/57/15/98/712571598.db2.gz ZGHRZNMGZKEBRY-GCVQQVDUSA-N 1 0 248.326 1.610 10 0 BDAERO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716759263 712572467 /nfs/dbraw/zinc/57/24/67/712572467.db2.gz GEZJNMLLBYCTEJ-PSEORLGDSA-N 1 0 224.348 1.665 10 0 BDAERO Cc1nc(C)c(C[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716770366 712572919 /nfs/dbraw/zinc/57/29/19/712572919.db2.gz PGDODORZEVODSE-UHFFFAOYSA-N 1 0 239.344 1.113 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716771216 712572955 /nfs/dbraw/zinc/57/29/55/712572955.db2.gz UBBAZHADGJLOAT-IDKOKCKLSA-N 1 0 238.356 1.971 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716774838 712573327 /nfs/dbraw/zinc/57/33/27/712573327.db2.gz JKNQGJAANOLTRS-PKSQDBQZSA-N 1 0 232.327 1.910 10 0 BDAERO CS(=O)(=O)CC[NH2+]C1(C2CCC2)CCC1 ZINC000717854677 712600816 /nfs/dbraw/zinc/60/08/16/712600816.db2.gz MDWBTLGKPLMZTQ-UHFFFAOYSA-N 1 0 231.361 1.343 10 0 BDAERO Fc1cccnc1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000717022102 712605283 /nfs/dbraw/zinc/60/52/83/712605283.db2.gz QUPKHGHQQFTGNN-QMMMGPOBSA-N 1 0 245.248 1.877 10 0 BDAERO C[NH2+]CCc1noc(C[C@H]2CC(C)(C)CO2)n1 ZINC000717045526 712624719 /nfs/dbraw/zinc/62/47/19/712624719.db2.gz VAUJYEFHFJZIPJ-VIFPVBQESA-N 1 0 239.319 1.189 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000717653563 712663067 /nfs/dbraw/zinc/66/30/67/712663067.db2.gz XSIIVGSBPJWORG-WDEREUQCSA-N 1 0 242.363 1.291 10 0 BDAERO CC1(C)CO[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000717645028 712663129 /nfs/dbraw/zinc/66/31/29/712663129.db2.gz UPMOEQNDDAGFMB-AXFHLTTASA-N 1 0 240.347 1.045 10 0 BDAERO [NH3+][C@H]1CCCN(c2nnc(C(F)F)s2)C1 ZINC000380098310 712685896 /nfs/dbraw/zinc/68/58/96/712685896.db2.gz OYGIZHAGHDZIFV-YFKPBYRVSA-N 1 0 234.275 1.403 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000380101289 712685939 /nfs/dbraw/zinc/68/59/39/712685939.db2.gz IURMYNMUGZZHLT-CLRIEMFWSA-N 1 0 238.375 1.485 10 0 BDAERO CC[C@H](C)c1noc(CC2CC([NH3+])C2)n1 ZINC000718093167 712742312 /nfs/dbraw/zinc/74/23/12/712742312.db2.gz ZGBRTBGXOHQANX-UEJVZZJDSA-N 1 0 209.293 1.863 10 0 BDAERO CC1(C)C[C@@H]1c1noc(CC2CC([NH3+])C2)n1 ZINC000718101022 712742739 /nfs/dbraw/zinc/74/27/39/712742739.db2.gz YDVJVLLDTRVIGX-AMDVSUOASA-N 1 0 221.304 1.863 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N(C)Cc1c(C)noc1C ZINC000037819170 712764993 /nfs/dbraw/zinc/76/49/93/712764993.db2.gz CFTIISFMDUAXMC-LLVKDONJSA-N 1 0 239.319 1.377 10 0 BDAERO C[C@@H]1CO[C@@H](C(=O)N(C)[C@@H]2CCC[NH2+]CC2)C1 ZINC000718527477 712770892 /nfs/dbraw/zinc/77/08/92/712770892.db2.gz DNRWKTKZIKTQIA-QJPTWQEYSA-N 1 0 240.347 1.012 10 0 BDAERO COC[C@H](C)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000037875131 712778785 /nfs/dbraw/zinc/77/87/85/712778785.db2.gz CWTTWXNEMLTPNE-QPUJVOFHSA-N 1 0 245.269 1.623 10 0 BDAERO CO[C@@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)CC1 ZINC000718863094 712786394 /nfs/dbraw/zinc/78/63/94/712786394.db2.gz YLMQAGGZQQLVKZ-POOIEITISA-N 1 0 227.348 1.695 10 0 BDAERO CN(c1ccnc2ncccc21)[C@H]1CC[NH2+]C1 ZINC000718931217 712788491 /nfs/dbraw/zinc/78/84/91/712788491.db2.gz XWTCQYLWEAZSKM-JTQLQIEISA-N 1 0 228.299 1.428 10 0 BDAERO c1cnc2nccc(NCC34CC(C3)C[NH2+]4)c2c1 ZINC000718989503 712792049 /nfs/dbraw/zinc/79/20/49/712792049.db2.gz OOIUKQIEFGISBG-UHFFFAOYSA-N 1 0 240.310 1.794 10 0 BDAERO COC1CC(C[N@@H+]2CC[C@@H](C3OCCO3)C2)C1 ZINC000719090593 712796820 /nfs/dbraw/zinc/79/68/20/712796820.db2.gz GHLFOVKTGYRSBR-MOENNCHZSA-N 1 0 241.331 1.106 10 0 BDAERO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCC=CCCC1 ZINC000719104075 712797413 /nfs/dbraw/zinc/79/74/13/712797413.db2.gz WXYCSAJGZYMBPZ-NEPJUHHUSA-N 1 0 222.332 1.601 10 0 BDAERO CC1(C)CCCCC[C@@H]1[NH2+]CCS(C)(=O)=O ZINC000719265531 712802106 /nfs/dbraw/zinc/80/21/06/712802106.db2.gz ISVSRKVDAOECPO-NSHDSACASA-N 1 0 247.404 1.980 10 0 BDAERO CC1(C)CCCCC[C@@H]1[NH2+]CCOCCO ZINC000719263099 712802221 /nfs/dbraw/zinc/80/22/21/712802221.db2.gz WPWXSUXWUBDISR-LBPRGKRZSA-N 1 0 229.364 1.944 10 0 BDAERO C[NH2+]CCCCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000719669092 712818247 /nfs/dbraw/zinc/81/82/47/712818247.db2.gz WGSZOSYNAFRSMZ-PHIMTYICSA-N 1 0 228.336 1.012 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)C(C)(C)OC ZINC000720189961 712829211 /nfs/dbraw/zinc/82/92/11/712829211.db2.gz VRHNDYWGIWHESN-NEPJUHHUSA-N 1 0 247.379 1.567 10 0 BDAERO C[C@H](C(=O)N1CCCC[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000720520492 712848325 /nfs/dbraw/zinc/84/83/25/712848325.db2.gz CJYRFPKDQQXUOM-SRVKXCTJSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1cc(C[N@@H+]2CC[C@@H](CCO)C2)c(C)nn1 ZINC000720586846 712851898 /nfs/dbraw/zinc/85/18/98/712851898.db2.gz IECGODHQSKOLCC-LBPRGKRZSA-N 1 0 235.331 1.298 10 0 BDAERO C[C@@H]([NH2+]CCCCCF)c1cn(C)nn1 ZINC000720598119 712855243 /nfs/dbraw/zinc/85/52/43/712855243.db2.gz ZQWYAOQGUALCNW-SECBINFHSA-N 1 0 214.288 1.606 10 0 BDAERO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1cn(C)nn1 ZINC000720595761 712856631 /nfs/dbraw/zinc/85/66/31/712856631.db2.gz NBYIHJDCHQJROT-NXEZZACHSA-N 1 0 206.293 1.574 10 0 BDAERO CS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000380314661 712873935 /nfs/dbraw/zinc/87/39/35/712873935.db2.gz ILOJZTAFMRJMSO-VHSXEESVSA-N 1 0 237.340 1.149 10 0 BDAERO O[C@H]1C[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000720907971 712877233 /nfs/dbraw/zinc/87/72/33/712877233.db2.gz SGNROLSOGWUZPM-BETUJISGSA-N 1 0 205.301 1.590 10 0 BDAERO C[NH2+]C[C@@H](C)c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000721055265 712888955 /nfs/dbraw/zinc/88/89/55/712888955.db2.gz WSMZETDOYQPMFW-DOLQZWNJSA-N 1 0 221.304 1.906 10 0 BDAERO COC(=O)[C@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)C[C@H]1C ZINC000721109601 712891186 /nfs/dbraw/zinc/89/11/86/712891186.db2.gz FYMVXFMSEFVVOU-WYUUTHIRSA-N 1 0 241.331 1.152 10 0 BDAERO C[C@H](C(=O)[O-])[N@H+](CC1CC[NH+](C)CC1)C1CC1 ZINC000691377620 954684579 /nfs/dbraw/zinc/68/45/79/954684579.db2.gz DFUCQHIWIFDTFS-SNVBAGLBSA-N 1 0 240.347 1.266 10 0 BDAERO CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(=O)[O-] ZINC000693894702 954771107 /nfs/dbraw/zinc/77/11/07/954771107.db2.gz QOJOIPFIVWZREC-QWRGUYRKSA-N 1 0 228.336 1.170 10 0 BDAERO CC[C@@H]([NH3+])c1cncn1CCCn1cccn1 ZINC000229001376 963394285 /nfs/dbraw/zinc/39/42/85/963394285.db2.gz LIGMSHYBJKGHBG-LLVKDONJSA-N 1 0 233.319 1.580 10 0 BDAERO C[NH+]1CCC(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000687725466 968879682 /nfs/dbraw/zinc/87/96/82/968879682.db2.gz IZCTYUDNNBVFGB-GFCCVEGCSA-N 1 0 240.347 1.125 10 0 BDAERO CC[C@H](C(=O)[O-])[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000700756625 968981748 /nfs/dbraw/zinc/98/17/48/968981748.db2.gz KCWQUPIYCHCCLP-GFCCVEGCSA-N 1 0 242.363 1.513 10 0 BDAERO [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])o2)C1 ZINC000723712472 978216752 /nfs/dbraw/zinc/21/67/52/978216752.db2.gz HEOGYLMSGRGWNV-VIFPVBQESA-N 1 0 238.287 1.149 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000685954601 538899214 /nfs/dbraw/zinc/89/92/14/538899214.db2.gz OQBSVEIVHZNTQT-GMTAPVOTSA-N 1 0 233.377 1.575 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CC[C@@H](C)C[C@H]1[NH3+] ZINC000685954590 538899265 /nfs/dbraw/zinc/89/92/65/538899265.db2.gz OPONBNKGUQUCOA-BBBLOLIVSA-N 1 0 219.350 1.326 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000685954164 538899402 /nfs/dbraw/zinc/89/94/02/538899402.db2.gz LPHOYZILLHSROT-KXUCPTDWSA-N 1 0 219.350 1.185 10 0 BDAERO COC[C@@H](OCC(F)(F)C[NH3+])C(C)C ZINC000685955406 538901189 /nfs/dbraw/zinc/90/11/89/538901189.db2.gz DFWYVLSRRCUHBE-MRVPVSSYSA-N 1 0 211.252 1.268 10 0 BDAERO Cc1cc(C)n(-c2ccccc2C(N)=[NH2+])n1 ZINC000020076208 177920629 /nfs/dbraw/zinc/92/06/29/177920629.db2.gz IAELBRNSLFNBTD-UHFFFAOYSA-N 1 0 214.272 1.773 10 0 BDAERO CSC1CC(N(C)CC(F)(F)CN)C1 ZINC000685957145 538903451 /nfs/dbraw/zinc/90/34/51/538903451.db2.gz RQQGOYFHNCENEC-UHFFFAOYSA-N 1 0 224.320 1.406 10 0 BDAERO CNCC(F)(F)CN1C[C@H](C)C[C@H]1C ZINC000685957072 538903634 /nfs/dbraw/zinc/90/36/34/538903634.db2.gz LMHGPFDJJMTJEB-RKDXNWHRSA-N 1 0 206.280 1.571 10 0 BDAERO CCOC(=O)C(F)(F)CN[C@H](C)CC ZINC000685957027 538903662 /nfs/dbraw/zinc/90/36/62/538903662.db2.gz KMZQPIKBOMMGEA-SSDOTTSWSA-N 1 0 209.236 1.573 10 0 BDAERO NCC(F)(F)CN1C[C@H]2CCCC[C@@H]21 ZINC000685957633 538904802 /nfs/dbraw/zinc/90/48/02/538904802.db2.gz WDLATWCSHMOHHX-BDAKNGLRSA-N 1 0 204.264 1.455 10 0 BDAERO CNCC(F)(F)CN(C)[C@@H](C)C1CC1 ZINC000685957696 538904899 /nfs/dbraw/zinc/90/48/99/538904899.db2.gz YDEYDDSVRFOJST-QMMMGPOBSA-N 1 0 206.280 1.571 10 0 BDAERO COCCC1(C[NH2+]C2CCC2)CCOCC1 ZINC000685960924 538908150 /nfs/dbraw/zinc/90/81/50/538908150.db2.gz HIMRIYFUIOWQRA-UHFFFAOYSA-N 1 0 227.348 1.962 10 0 BDAERO COCCC[NH2+]C[C@H]1C[C@@]1(CO)C(C)C ZINC000685960912 538908220 /nfs/dbraw/zinc/90/82/20/538908220.db2.gz GVBJWFQBWFNINU-VXGBXAGGSA-N 1 0 215.337 1.267 10 0 BDAERO OC[C@H](CC[NH2+]C1CCC1)[C@H]1CCOC1 ZINC000685963013 538909889 /nfs/dbraw/zinc/90/98/89/538909889.db2.gz DCHPUIIOVFJJEI-QWRGUYRKSA-N 1 0 213.321 1.164 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CC[C@H](C[NH3+])C[C@H]1C ZINC000685952747 538896761 /nfs/dbraw/zinc/89/67/61/538896761.db2.gz CRMZJTXMYKTKKJ-VWYCJHECSA-N 1 0 233.377 1.573 10 0 BDAERO CCS(=O)(=O)[C@H]1CC(C)(C)CC[C@H]1C[NH3+] ZINC000685953078 538896884 /nfs/dbraw/zinc/89/68/84/538896884.db2.gz FZFKQRHUYPSWND-UWVGGRQHSA-N 1 0 233.377 1.575 10 0 BDAERO CCC(CC)[NH2+]CC[C@@H](CO)[C@@H]1CCOC1 ZINC000685963881 538910722 /nfs/dbraw/zinc/91/07/22/538910722.db2.gz ZALFQIWDWLFNRP-NWDGAFQWSA-N 1 0 229.364 1.800 10 0 BDAERO C=C(OCC)c1cc(C[NH2+]CCC)n(C)n1 ZINC000685965284 538911619 /nfs/dbraw/zinc/91/16/19/538911619.db2.gz XTZKINVYJXQMEI-UHFFFAOYSA-N 1 0 223.320 1.927 10 0 BDAERO Cc1cc(F)c([C@H]2C[NH2+]C[C@@]2(C)N)cc1F ZINC000685965389 538911861 /nfs/dbraw/zinc/91/18/61/538911861.db2.gz CEXXPLQZQWJIBG-BXKDBHETSA-N 1 0 226.270 1.677 10 0 BDAERO COc1ccc(C)cc1[C@@H]1C[NH2+]C[C@]1(C)N ZINC000685965453 538912174 /nfs/dbraw/zinc/91/21/74/538912174.db2.gz FBNBZMICKOGSKM-AAEUAGOBSA-N 1 0 220.316 1.408 10 0 BDAERO Cc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1F ZINC000685965616 538912203 /nfs/dbraw/zinc/91/22/03/538912203.db2.gz LDSDHCCYXMJDEA-ZYHUDNBSSA-N 1 0 208.280 1.538 10 0 BDAERO OC[C@@H](CC[NH2+]C1CCC1)C1CCOCC1 ZINC000685963340 538912666 /nfs/dbraw/zinc/91/26/66/538912666.db2.gz MFZXOYRSOVFJKB-GFCCVEGCSA-N 1 0 227.348 1.554 10 0 BDAERO CCC(CC)(C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000054636532 168323874 /nfs/dbraw/zinc/32/38/74/168323874.db2.gz ICUYSYWVNVFJEQ-VIFPVBQESA-N 1 0 219.350 1.186 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@H](O)c1cncs1 ZINC000161774255 538918358 /nfs/dbraw/zinc/91/83/58/538918358.db2.gz QGSQTMYTHQVZDV-BDAKNGLRSA-N 1 0 200.307 1.552 10 0 BDAERO Cc1cc(C[NH3+])cc(C)c1OC[C@H](C)O ZINC000037698760 177981691 /nfs/dbraw/zinc/98/16/91/177981691.db2.gz YUZHBLBKZUIOHD-JTQLQIEISA-N 1 0 209.289 1.522 10 0 BDAERO [NH3+]CCN1CC[C@H](c2ccc3ncccc3c2)C1 ZINC000616612085 349484427 /nfs/dbraw/zinc/48/44/27/349484427.db2.gz LWZGGNULFVXMKL-AWEZNQCLSA-N 1 0 241.338 1.983 10 0 BDAERO CSC[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158819017 136214103 /nfs/dbraw/zinc/21/41/03/136214103.db2.gz NLTPNOMEHQWQJL-OPRDCNLKSA-N 1 0 230.377 1.229 10 0 BDAERO Cc1cc(CN2CC[C@H](C)C[C@@H]2C[NH3+])on1 ZINC000235656514 178000742 /nfs/dbraw/zinc/00/07/42/178000742.db2.gz QHBFEVYVQBKFQL-GXSJLCMTSA-N 1 0 223.320 1.542 10 0 BDAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1c(Br)nnn1C ZINC000307439308 398167520 /nfs/dbraw/zinc/16/75/20/398167520.db2.gz NFQCMVMWLMMFEM-ZLUOBGJFSA-N 1 0 245.124 1.028 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCCNC2=O)c(C)n1C ZINC000052789968 178032824 /nfs/dbraw/zinc/03/28/24/178032824.db2.gz YZPSCOKGPVTLTA-CYBMUJFWSA-N 1 0 249.358 1.400 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCN(C)C2)c(C)n1C ZINC000052790448 178033751 /nfs/dbraw/zinc/03/37/51/178033751.db2.gz GBTJWYPKRDPXRS-CYBMUJFWSA-N 1 0 221.348 1.436 10 0 BDAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cocn1 ZINC000276959863 398172685 /nfs/dbraw/zinc/17/26/85/398172685.db2.gz CZDQVOWTFOZHAC-CMPLNLGQSA-N 1 0 224.304 1.825 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCCC[C@H]2O)on1 ZINC000044990862 178040190 /nfs/dbraw/zinc/04/01/90/178040190.db2.gz ASSGGRWWRFGWLC-NWDGAFQWSA-N 1 0 224.304 1.766 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCCC[C@@H]2O)on1 ZINC000044990858 178040795 /nfs/dbraw/zinc/04/07/95/178040795.db2.gz ASSGGRWWRFGWLC-RYUDHWBXSA-N 1 0 224.304 1.766 10 0 BDAERO COC(C)(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000177143508 136216596 /nfs/dbraw/zinc/21/65/96/136216596.db2.gz QJFGQDNNZPPNDM-MNOVXSKESA-N 1 0 242.363 1.256 10 0 BDAERO O=C(OCc1ccccc1)N1C[C@H]2[NH2+]CC[C@@H]21 ZINC000218579710 398176762 /nfs/dbraw/zinc/17/67/62/398176762.db2.gz YBLYJVWXMJIJDA-NEPJUHHUSA-N 1 0 232.283 1.369 10 0 BDAERO Cc1cc(COCC2CC[NH2+]CC2)no1 ZINC000020443182 178049319 /nfs/dbraw/zinc/04/93/19/178049319.db2.gz HNBRHEDWMCTNIS-UHFFFAOYSA-N 1 0 210.277 1.499 10 0 BDAERO Cc1cc(C[C@@H](C)[NH3+])nc(-c2ccncc2)n1 ZINC000054835382 178053433 /nfs/dbraw/zinc/05/34/33/178053433.db2.gz HIQQGLRNDSJSJG-SECBINFHSA-N 1 0 228.299 1.737 10 0 BDAERO Cc1cc(Cl)c2nc(CC[NH3+])cn2c1 ZINC000082533339 178061931 /nfs/dbraw/zinc/06/19/31/178061931.db2.gz OOOCLGWZQHRAIJ-UHFFFAOYSA-N 1 0 209.680 1.797 10 0 BDAERO Cc1cc(Cl)nc(NCC2CC[NH2+]CC2)n1 ZINC000095068939 178071279 /nfs/dbraw/zinc/07/12/79/178071279.db2.gz GTJOKTAIUYFNPA-UHFFFAOYSA-N 1 0 240.738 1.850 10 0 BDAERO Cc1cc(Cl)nc(O[C@@H]2CC[NH2+]C2)n1 ZINC000095068941 178071878 /nfs/dbraw/zinc/07/18/78/178071878.db2.gz KRQYJJZVBGEJGI-SSDOTTSWSA-N 1 0 213.668 1.179 10 0 BDAERO Cc1cc(Cl)nc(S[C@H]2CC[NH2+]C2)n1 ZINC000095069419 178072438 /nfs/dbraw/zinc/07/24/38/178072438.db2.gz PSDXBVXAPSDHKH-ZETCQYMHSA-N 1 0 229.736 1.892 10 0 BDAERO CC(C)Cn1cc([C@H]2[NH2+]C[C@]23CCOC3)cn1 ZINC000536959830 398199449 /nfs/dbraw/zinc/19/94/49/398199449.db2.gz LUMOQRQZPPRTAG-OLZOCXBDSA-N 1 0 235.331 1.590 10 0 BDAERO Cc1cc(F)ccc1CCNC(=O)C1C[NH2+]C1 ZINC000094955973 178083470 /nfs/dbraw/zinc/08/34/70/178083470.db2.gz FZDNHDYXBOMOBL-UHFFFAOYSA-N 1 0 236.290 1.012 10 0 BDAERO CO[C@@](C)(C[N@@H+]1CCN2CCC[C@H]2C1)C1CC1 ZINC000380192888 398188970 /nfs/dbraw/zinc/18/89/70/398188970.db2.gz QAHNWKQMRWYGEE-KBPBESRZSA-N 1 0 238.375 1.582 10 0 BDAERO Cc1cc(F)ccc1[C@@H]([NH3+])c1cnccn1 ZINC000055222696 178092599 /nfs/dbraw/zinc/09/25/99/178092599.db2.gz DVKAPNUTVDEJQX-GFCCVEGCSA-N 1 0 217.247 1.972 10 0 BDAERO CC[C@H]1CCC[C@@]12[NH2+]CCc1nc[nH]c12 ZINC000400491600 398196405 /nfs/dbraw/zinc/19/64/05/398196405.db2.gz JPFOEJYCROBLMV-JOYOIKCWSA-N 1 0 205.305 1.961 10 0 BDAERO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000175179334 365536235 /nfs/dbraw/zinc/53/62/35/365536235.db2.gz OBCHSPGVAQHPTP-QWRGUYRKSA-N 1 0 244.404 1.679 10 0 BDAERO Cc1cc(N)nc(NCc2ccco2)[nH+]1 ZINC000058824203 178110186 /nfs/dbraw/zinc/11/01/86/178110186.db2.gz QMPGZKTYWXZEDZ-UHFFFAOYSA-N 1 0 204.233 1.572 10 0 BDAERO C(COCC1CCCC1)N[C@@H]1CC[NH2+]C1 ZINC000313281132 398185001 /nfs/dbraw/zinc/18/50/01/398185001.db2.gz KQGLWKYBSVPJLB-GFCCVEGCSA-N 1 0 212.337 1.145 10 0 BDAERO Cc1cc(N2CCC[C@H]2C[NH2+]C2CC2)ncn1 ZINC000053695174 178116086 /nfs/dbraw/zinc/11/60/86/178116086.db2.gz AKGLRESEMUZAHX-LBPRGKRZSA-N 1 0 232.331 1.506 10 0 BDAERO COC(=O)[C@H](C)C[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000393824200 343982890 /nfs/dbraw/zinc/98/28/90/343982890.db2.gz CQAQMLPVXBZAAX-GRYCIOLGSA-N 1 0 243.347 1.278 10 0 BDAERO Cc1cc(NC(=O)C[NH2+]C2CCCC2)no1 ZINC000021265038 178132928 /nfs/dbraw/zinc/13/29/28/178132928.db2.gz BONLAURXJDDFFM-UHFFFAOYSA-N 1 0 223.276 1.454 10 0 BDAERO C[C@@H]1[C@@H](C)CCN1C(=O)C1CCC([NH3+])CC1 ZINC000380812363 398208646 /nfs/dbraw/zinc/20/86/46/398208646.db2.gz SZRORXYQQBGLGS-DMOGRIERSA-N 1 0 224.348 1.761 10 0 BDAERO Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)nn1C ZINC000305592991 178150652 /nfs/dbraw/zinc/15/06/52/178150652.db2.gz OTCVTQZEUVKXEG-UHFFFAOYSA-N 1 0 244.298 1.440 10 0 BDAERO Cc1cc(NC[C@@H]2CCC[NH2+]2)nc(Cl)n1 ZINC000095068971 178166698 /nfs/dbraw/zinc/16/66/98/178166698.db2.gz JAMQAPMYYSFQCX-QMMMGPOBSA-N 1 0 226.711 1.602 10 0 BDAERO Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)nc(Cl)n1 ZINC000052814435 178167635 /nfs/dbraw/zinc/16/76/35/178167635.db2.gz WGQPOQAYORYUPK-VIFPVBQESA-N 1 0 240.738 1.802 10 0 BDAERO CCC[C@H](C(=O)N(C)C[C@H]1CCCO1)[NH+](C)C ZINC000161947595 349520175 /nfs/dbraw/zinc/52/01/75/349520175.db2.gz QGRPRGYATNCODX-VXGBXAGGSA-N 1 0 242.363 1.354 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000163912536 538931134 /nfs/dbraw/zinc/93/11/34/538931134.db2.gz MPTWTCBZSJENGB-UWVGGRQHSA-N 1 0 228.336 1.899 10 0 BDAERO Cc1cc(Nc2cccc(OCC[NH3+])c2)ncn1 ZINC000062839288 178193445 /nfs/dbraw/zinc/19/34/45/178193445.db2.gz XMKQLRFQNVIPHT-UHFFFAOYSA-N 1 0 244.298 1.866 10 0 BDAERO Cc1cc(OCC2CC[NH2+]CC2)ncn1 ZINC000051869947 178209633 /nfs/dbraw/zinc/20/96/33/178209633.db2.gz ZOAJVSOLIRALTH-UHFFFAOYSA-N 1 0 207.277 1.163 10 0 BDAERO Cc1cc(OCC[C@@H]2CC[NH2+]C2)ncn1 ZINC000076641264 178210879 /nfs/dbraw/zinc/21/08/79/178210879.db2.gz OCYDYKNTTATFNY-JTQLQIEISA-N 1 0 207.277 1.163 10 0 BDAERO Cc1cc(OC[C@H]2CCC[NH2+]2)cc(=O)o1 ZINC000169726355 178212681 /nfs/dbraw/zinc/21/26/81/178212681.db2.gz WJZGRNNCYZDUDC-SECBINFHSA-N 1 0 209.245 1.079 10 0 BDAERO Cc1cc(SCC2CC[NH2+]CC2)n(C)n1 ZINC000052311691 178217864 /nfs/dbraw/zinc/21/78/64/178217864.db2.gz UVZIBPYZRYWQKB-UHFFFAOYSA-N 1 0 225.361 1.820 10 0 BDAERO Cc1cc([C@@H](C)N2CC[C@@H]([NH3+])C2=O)c(C)o1 ZINC000044730699 178220638 /nfs/dbraw/zinc/22/06/38/178220638.db2.gz OGIMUMFWNOTZBN-LDYMZIIASA-N 1 0 222.288 1.517 10 0 BDAERO Cc1cc([C@H]([NH3+])Cn2ccnc2)cs1 ZINC000306642894 361774435 /nfs/dbraw/zinc/77/44/35/361774435.db2.gz VEGRTMDTOLAUGB-SNVBAGLBSA-N 1 0 207.302 1.953 10 0 BDAERO CCC[C@@H](C(=O)NC1CCOCC1)[NH+](C)C ZINC000179558599 259304597 /nfs/dbraw/zinc/30/45/97/259304597.db2.gz BJLOWJRNRZTHGV-NSHDSACASA-N 1 0 228.336 1.012 10 0 BDAERO Cc1cc([C@@H]([NH3+])[C@H]2COCCO2)c(C)s1 ZINC000055298965 178238125 /nfs/dbraw/zinc/23/81/25/178238125.db2.gz LYHPVXIMYZSIGH-GHMZBOCLSA-N 1 0 227.329 1.780 10 0 BDAERO Cc1cc([C@H](C)[NH2+]CCn2cncn2)cs1 ZINC000294109959 178247852 /nfs/dbraw/zinc/24/78/52/178247852.db2.gz CVCZIXNTMUPWRQ-JTQLQIEISA-N 1 0 236.344 1.999 10 0 BDAERO Cc1cc([C@](O)(C[NH3+])C(F)(F)F)ccc1F ZINC000062784452 178269766 /nfs/dbraw/zinc/26/97/66/178269766.db2.gz FKTDTGLLOCDCRE-SECBINFHSA-N 1 0 237.196 1.843 10 0 BDAERO Cc1cc2c(ncnc2NC2[C@H]3C[NH2+]C[C@@H]23)s1 ZINC000104364311 178279562 /nfs/dbraw/zinc/27/95/62/178279562.db2.gz ABXQBMWHVPQMAC-ULKQDVFKSA-N 1 0 246.339 1.629 10 0 BDAERO Cc1nnsc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000381262511 398242084 /nfs/dbraw/zinc/24/20/84/398242084.db2.gz SKCQTTGLCUTDMU-UWVGGRQHSA-N 1 0 241.360 1.487 10 0 BDAERO Cc1cc2nc([C@H]([NH3+])[C@H](C)O)[nH]c2cc1C ZINC000051847895 178303915 /nfs/dbraw/zinc/30/39/15/178303915.db2.gz QKYMAXPBPOHVMH-GZMMTYOYSA-N 1 0 219.288 1.560 10 0 BDAERO Cc1cc2ncn([C@H]3C[NH2+]C[C@H]3O)c2cc1C ZINC000104253792 178306271 /nfs/dbraw/zinc/30/62/71/178306271.db2.gz HLUYWWGNOZFOCE-QWHCGFSZSA-N 1 0 231.299 1.158 10 0 BDAERO CC[C@H](C)[C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000381310390 398253248 /nfs/dbraw/zinc/25/32/48/398253248.db2.gz TXAMPSYYAWQIIX-BFHYXJOUSA-N 1 0 240.391 1.828 10 0 BDAERO CC[C@H](C)[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000381310395 398253280 /nfs/dbraw/zinc/25/32/80/398253280.db2.gz TXAMPSYYAWQIIX-MELADBBJSA-N 1 0 240.391 1.828 10 0 BDAERO Cc1ccc(-n2cncc2CC[NH3+])c(C)c1 ZINC000076645064 178347464 /nfs/dbraw/zinc/34/74/64/178347464.db2.gz UWUBVAOWWWDILD-UHFFFAOYSA-N 1 0 215.300 1.990 10 0 BDAERO Cc1ccc(-c2n[nH]c(CCC[NH3+])n2)cc1 ZINC000061844146 178331668 /nfs/dbraw/zinc/33/16/68/178331668.db2.gz FVSUYTWIGYMLGD-UHFFFAOYSA-N 1 0 216.288 1.671 10 0 BDAERO Cc1ccc(=O)n(CC[NH2+]CCCC(C)C)n1 ZINC000061811086 178360668 /nfs/dbraw/zinc/36/06/68/178360668.db2.gz HHAVJUYYYJUAOK-UHFFFAOYSA-N 1 0 237.347 1.578 10 0 BDAERO CC[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000381553651 398262950 /nfs/dbraw/zinc/26/29/50/398262950.db2.gz NTVOXPMVARDQNL-YTWAJWBKSA-N 1 0 210.321 1.003 10 0 BDAERO CCC[C@@H](C[NH2+][C@H]1CCCN(CC)C1)OC ZINC000386006079 398262980 /nfs/dbraw/zinc/26/29/80/398262980.db2.gz LPQUKBBERZZFPP-STQMWFEESA-N 1 0 228.380 1.875 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000386301608 398264615 /nfs/dbraw/zinc/26/46/15/398264615.db2.gz KKIHTBJKOZNZEK-STQMWFEESA-N 1 0 226.364 1.318 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@@H](C)C[NH3+])c(C)n1 ZINC000055329967 178378275 /nfs/dbraw/zinc/37/82/75/178378275.db2.gz JZHVHWLEZAXKJL-VIFPVBQESA-N 1 0 235.331 1.365 10 0 BDAERO CCC(CC)N(CC[NH3+])[C@H](C)C(=O)NC(C)C ZINC000104318486 168372421 /nfs/dbraw/zinc/37/24/21/168372421.db2.gz SQZUWRLDETYVMA-LLVKDONJSA-N 1 0 243.395 1.349 10 0 BDAERO O=C1CCCC(=O)C1[C@H]1CCCCC[NH2+]1 ZINC000230796347 538951299 /nfs/dbraw/zinc/95/12/99/538951299.db2.gz VNRBOSRGMUEFKU-SECBINFHSA-N 1 0 209.289 1.457 10 0 BDAERO CC[N@@H+]1CC[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616612559 349570057 /nfs/dbraw/zinc/57/00/57/349570057.db2.gz FXMWTBYQSDMSRE-GFCCVEGCSA-N 1 0 218.300 1.595 10 0 BDAERO Cc1ccc(CCC(=O)NC[C@H](C)C[NH3+])o1 ZINC000259155532 349560476 /nfs/dbraw/zinc/56/04/76/349560476.db2.gz NEXKQCKQLDVONN-SECBINFHSA-N 1 0 224.304 1.232 10 0 BDAERO CCC[C@@H](C[NH3+])[C@H](O)c1ccns1 ZINC000404450612 538955483 /nfs/dbraw/zinc/95/54/83/538955483.db2.gz QYRZKVBHQVFXDY-CBAPKCEASA-N 1 0 200.307 1.552 10 0 BDAERO OCCc1ccc([C@H]2CC[N@@H+](CCO)C2)cc1 ZINC000616612884 349599710 /nfs/dbraw/zinc/59/97/10/349599710.db2.gz ABCUTIOVCDWVOO-AWEZNQCLSA-N 1 0 235.327 1.003 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](c2cccnc2N)C1 ZINC000616613010 349601369 /nfs/dbraw/zinc/60/13/69/349601369.db2.gz GPANFJBNRKFQLF-JTQLQIEISA-N 1 0 205.305 1.862 10 0 BDAERO CS(C)(=O)=NCC1CCC([NH3+])CC1 ZINC000306645920 361840850 /nfs/dbraw/zinc/84/08/50/361840850.db2.gz GADMVOGSCLCADW-UHFFFAOYSA-N 1 0 204.339 1.232 10 0 BDAERO Nc1ccc(Cl)c(F)c1NCC[NH3+] ZINC000306647407 361841703 /nfs/dbraw/zinc/84/17/03/361841703.db2.gz GHSLVOZRIZFXJM-UHFFFAOYSA-N 1 0 203.648 1.432 10 0 BDAERO CC[NH+](CC)CCN1COc2ccccc2C1=O ZINC000002016279 342714487 /nfs/dbraw/zinc/71/44/87/342714487.db2.gz BFSTVIQBRWJMPZ-UHFFFAOYSA-N 1 0 248.326 1.821 10 0 BDAERO CC(C)SCC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000602592131 349614723 /nfs/dbraw/zinc/61/47/23/349614723.db2.gz HIOIVYCHSXAVCH-ZJUUUORDSA-N 1 0 230.377 1.181 10 0 BDAERO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)[C@H]1CCCO1 ZINC000183117594 538966168 /nfs/dbraw/zinc/96/61/68/538966168.db2.gz IQUSPULOSGQQEZ-ZYHUDNBSSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCCN1CC1(F)CC1 ZINC000306657058 361867136 /nfs/dbraw/zinc/86/71/36/361867136.db2.gz HRFLBYWLAYPEML-UWVGGRQHSA-N 1 0 200.301 1.690 10 0 BDAERO Cc1ccnc(N2CC[C@@H]([NH3+])[C@H]2C)c1Cl ZINC000335610141 136236736 /nfs/dbraw/zinc/23/67/36/136236736.db2.gz SVNFVNZANUFLMJ-RKDXNWHRSA-N 1 0 225.723 1.969 10 0 BDAERO CCC(CC)NC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000019427277 168384890 /nfs/dbraw/zinc/38/48/90/168384890.db2.gz NHVIWFLTEQALFT-UWVGGRQHSA-N 1 0 212.337 1.679 10 0 BDAERO O[C@]12CCCC[C@@H]1CCC[C@H]2[NH+]1CCOCC1 ZINC000144791912 342750487 /nfs/dbraw/zinc/75/04/87/342750487.db2.gz PLICGHUTENGKPZ-MGPQQGTHSA-N 1 0 239.359 1.792 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](COc2ccccc2)CO1 ZINC000146191531 342767523 /nfs/dbraw/zinc/76/75/23/342767523.db2.gz UQAXLWWYSGHXCB-YPMHNXCESA-N 1 0 221.300 1.819 10 0 BDAERO COC[C@H]1C[C@H]([NH3+])CN1Cc1ccccc1 ZINC000147794144 342780689 /nfs/dbraw/zinc/78/06/89/342780689.db2.gz GXAHRMNGXAVWRS-QWHCGFSZSA-N 1 0 220.316 1.235 10 0 BDAERO [NH3+][C@@H]1CCc2ccc(Br)cc2[C@@H]1O ZINC000008699433 342802628 /nfs/dbraw/zinc/80/26/28/342802628.db2.gz PAOFPNNUNGEWLK-ZJUUUORDSA-N 1 0 242.116 1.756 10 0 BDAERO C=Cc1cc(C(N)=[NH2+])nn1Cc1ccccc1 ZINC000147981310 342784783 /nfs/dbraw/zinc/78/47/83/342784783.db2.gz SDINDCGEOMBKCZ-UHFFFAOYSA-N 1 0 226.283 1.858 10 0 BDAERO C[C@H]1CN(Cc2ncc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631838457 398285452 /nfs/dbraw/zinc/28/54/52/398285452.db2.gz OSVOBNAYOXSGMA-YUMQZZPRSA-N 1 0 245.779 1.823 10 0 BDAERO C[C@H]1CCCN(C(=O)C(F)(F)F)[C@@H]1C[NH3+] ZINC000069726264 342822660 /nfs/dbraw/zinc/82/26/60/342822660.db2.gz RMPJGAZBVNXROO-NKWVEPMBSA-N 1 0 224.226 1.135 10 0 BDAERO C/C(=C\Cl)CN1CC[NH2+]C[C@H]1C1CC1 ZINC000308477925 342829944 /nfs/dbraw/zinc/82/99/44/342829944.db2.gz VKCZDXDDLJPYNK-LAHYYIKRSA-N 1 0 214.740 1.813 10 0 BDAERO CSCc1noc([C@@H]2CCC[C@H]2[NH3+])n1 ZINC000071001816 361928676 /nfs/dbraw/zinc/92/86/76/361928676.db2.gz ARXQPRDPULXXKI-RNFRBKRXSA-N 1 0 213.306 1.527 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2CCCOC2)S1 ZINC000071023289 361929922 /nfs/dbraw/zinc/92/99/22/361929922.db2.gz KPZFUMQFTROLBX-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000380616731 538991311 /nfs/dbraw/zinc/99/13/11/538991311.db2.gz ZNJBUJAYHUIUQF-NOHGZBONSA-N 1 0 222.332 1.230 10 0 BDAERO O=C(CC1CC1)NC[C@@H]1CCCC[NH2+]C1 ZINC000380035049 538984161 /nfs/dbraw/zinc/98/41/61/538984161.db2.gz RSRWZVDRMHGHRA-LLVKDONJSA-N 1 0 210.321 1.292 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000380027754 538984374 /nfs/dbraw/zinc/98/43/74/538984374.db2.gz ZFHPBEQQVSHZSN-QJPTWQEYSA-N 1 0 213.321 1.306 10 0 BDAERO CCOC1CC([NH2+][C@@H]2CN(CC)C[C@@H]2C)C1 ZINC000381458992 539001175 /nfs/dbraw/zinc/00/11/75/539001175.db2.gz KJKZNWBUFWMUOD-YWPUVAFDSA-N 1 0 226.364 1.484 10 0 BDAERO CC1(C[NH2+]C[C@H]2CCn3ccnc3C2)CC1 ZINC000381778232 539007131 /nfs/dbraw/zinc/00/71/31/539007131.db2.gz XKDQRONGYFBLJM-NSHDSACASA-N 1 0 219.332 1.835 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@H]2CCSC2)[C@@H](C)C1 ZINC000381251811 538997075 /nfs/dbraw/zinc/99/70/75/538997075.db2.gz PQADREVMRRFFQS-DLOVCJGASA-N 1 0 242.388 1.338 10 0 BDAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000381263849 538997114 /nfs/dbraw/zinc/99/71/14/538997114.db2.gz SUKACZFRSNHCJZ-UTUOFQBUSA-N 1 0 219.332 1.976 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000037015101 398299494 /nfs/dbraw/zinc/29/94/94/398299494.db2.gz HDOMYASWRIUMFZ-WRWORJQWSA-N 1 0 242.269 1.879 10 0 BDAERO O=C(C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000226588792 342843560 /nfs/dbraw/zinc/84/35/60/342843560.db2.gz HBHPHBIROFRJKD-NSHDSACASA-N 1 0 221.325 1.964 10 0 BDAERO CC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007724 398298804 /nfs/dbraw/zinc/29/88/04/398298804.db2.gz OOXKAWJKQWDZKH-HQJQHLMTSA-N 1 0 242.269 1.879 10 0 BDAERO Nc1ccc(N2CCCSCC2)nc1 ZINC000042443806 362000471 /nfs/dbraw/zinc/00/04/71/362000471.db2.gz ULMRBEMOHMHRRU-UHFFFAOYSA-N 1 0 209.318 1.607 10 0 BDAERO CC1=N[C@]2(CC[C@H]3C[NH2+]C[C@H]32)C(=O)N1CC(C)C ZINC000299842720 259326675 /nfs/dbraw/zinc/32/66/75/259326675.db2.gz JHUHWQRWQUEUJY-SCRDCRAPSA-N 1 0 249.358 1.271 10 0 BDAERO CCN(C1C[NH2+]C1)[C@@H]1CCS[C@@H]1C ZINC000233463440 342864860 /nfs/dbraw/zinc/86/48/60/342864860.db2.gz NANNULCTPMPNDW-PSASIEDQSA-N 1 0 200.351 1.174 10 0 BDAERO Nc1ccc(NC2=[NH+]CCN2)c(C(F)(F)F)c1 ZINC000521401601 398305137 /nfs/dbraw/zinc/30/51/37/398305137.db2.gz LHGZFVUJXSBYOP-UHFFFAOYSA-N 1 0 244.220 1.659 10 0 BDAERO C[C@@H](CCO)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 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/nfs/dbraw/zinc/20/59/12/343205912.db2.gz BJICITMBGSJAPD-LLVKDONJSA-N 1 0 248.326 1.754 10 0 BDAERO CCc1nsc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000165743143 343212341 /nfs/dbraw/zinc/21/23/41/343212341.db2.gz FJRYPZJPOLKHNN-RQJHMYQMSA-N 1 0 214.338 1.638 10 0 BDAERO Cc1cnc(C)c(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000165750543 343212350 /nfs/dbraw/zinc/21/23/50/343212350.db2.gz CZPVVLRHVBSZNO-JGVFFNPUSA-N 1 0 208.309 1.631 10 0 BDAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000207378170 343222954 /nfs/dbraw/zinc/22/29/54/343222954.db2.gz PFPDGQVDOUENDF-HZMBPMFUSA-N 1 0 209.314 1.546 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1CCCNC1COC1 ZINC000082487865 136276790 /nfs/dbraw/zinc/27/67/90/136276790.db2.gz OGOORIDIVGKPKV-LLVKDONJSA-N 1 0 212.337 1.239 10 0 BDAERO O[C@@H](c1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000215685292 136277660 /nfs/dbraw/zinc/27/76/60/136277660.db2.gz WAIRUFFBLMBIGE-WVMKXHBISA-N 1 0 218.300 1.646 10 0 BDAERO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000051993544 343281946 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ZINC000379560901 343575411 /nfs/dbraw/zinc/57/54/11/343575411.db2.gz TUJAHFSBCRCAQC-SDDRHHMPSA-N 1 0 236.359 1.491 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000624236103 343581221 /nfs/dbraw/zinc/58/12/21/343581221.db2.gz WGZZNMOAGSWOKW-RYUDHWBXSA-N 1 0 213.321 1.449 10 0 BDAERO CC(C)C1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624236918 343581509 /nfs/dbraw/zinc/58/15/09/343581509.db2.gz MUBGSXUBIQBXJU-HOAMVYINSA-N 1 0 241.375 1.941 10 0 BDAERO c1cc2c(s1)[C@@]1(CCCOC1)[NH2+]CC2 ZINC000712536762 537790571 /nfs/dbraw/zinc/79/05/71/537790571.db2.gz NHZDVPHXOVZSPV-NSHDSACASA-N 1 0 209.314 1.900 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000085790120 343606364 /nfs/dbraw/zinc/60/63/64/343606364.db2.gz IVVYUTLHGCENRG-NEPJUHHUSA-N 1 0 212.337 1.095 10 0 BDAERO C[C@H]1CC[C@H](C(=O)O[Si](C)(C)C)NC1 ZINC000205597022 343634983 /nfs/dbraw/zinc/63/49/83/343634983.db2.gz DRYDZKJJPHDLML-DTWKUNHWSA-N 1 0 215.369 1.753 10 0 BDAERO CC[C@H]1CCCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122514 343637652 /nfs/dbraw/zinc/63/76/52/343637652.db2.gz DPQVEYLXHKHMOH-GRYCIOLGSA-N 1 0 224.348 1.776 10 0 BDAERO CC(C)(CO)C[N@@H+]1CCCSCC1 ZINC000051295912 343624113 /nfs/dbraw/zinc/62/41/13/343624113.db2.gz KLGCAIKAINFGRY-UHFFFAOYSA-N 1 0 203.351 1.444 10 0 BDAERO CC(C)(CO)C[N@@H+]1CCOCC1(C)C ZINC000051295141 343624401 /nfs/dbraw/zinc/62/44/01/343624401.db2.gz FNARAAPXHUTIPP-UHFFFAOYSA-N 1 0 201.310 1.116 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)Nc1ccccc1 ZINC000063170785 537798707 /nfs/dbraw/zinc/79/87/07/537798707.db2.gz SHSDXKWJUJZXLJ-SECBINFHSA-N 1 0 207.277 1.545 10 0 BDAERO CC(C)SCCn1cc(C(C)(C)[NH3+])nn1 ZINC000379992984 343663887 /nfs/dbraw/zinc/66/38/87/343663887.db2.gz YSXVJXGVZCCOGS-UHFFFAOYSA-N 1 0 228.365 1.614 10 0 BDAERO CC1CC(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000621676596 343719243 /nfs/dbraw/zinc/71/92/43/343719243.db2.gz VABRHWYMQKCKAD-HCWSGVFWSA-N 1 0 224.348 1.524 10 0 BDAERO C([C@H]1CCCC[N@@H+]1C1CCC1)N1CCOCC1 ZINC000178997393 346969613 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/nfs/dbraw/zinc/79/68/03/343796803.db2.gz BCYAMRKRPMCLAP-ZETCQYMHSA-N 1 0 222.185 1.803 10 0 BDAERO [NH3+][C@H]1CC[C@H](OC(=O)N2CCCCC2)CC1 ZINC000299891884 343796928 /nfs/dbraw/zinc/79/69/28/343796928.db2.gz GXIORVXWEDBRDP-XYPYZODXSA-N 1 0 226.320 1.879 10 0 BDAERO CCOc1cccc2c1CCN2C(=O)CC[NH3+] ZINC000409427539 343801173 /nfs/dbraw/zinc/80/11/73/343801173.db2.gz KTFIEWDSVLEYQL-UHFFFAOYSA-N 1 0 234.299 1.323 10 0 BDAERO FC1(F)CC[C@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]21 ZINC000409427508 343801255 /nfs/dbraw/zinc/80/12/55/343801255.db2.gz KOJWKIWZRZVBIB-ONGXEEELSA-N 1 0 230.302 1.716 10 0 BDAERO CC(C)C[N@@H+]1CCC[C@H]1Cn1cc(C=O)nn1 ZINC000409427641 343801808 /nfs/dbraw/zinc/80/18/08/343801808.db2.gz WTOHPBZDVJPESH-LBPRGKRZSA-N 1 0 236.319 1.211 10 0 BDAERO CN(C(=O)[C@@H]1CCCC[NH2+]1)C1CCSCC1 ZINC000403770963 343812328 /nfs/dbraw/zinc/81/23/28/343812328.db2.gz JSRQPYLUEGLQLO-NSHDSACASA-N 1 0 242.388 1.483 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@H]2CF)cc1 ZINC000409422903 343814304 /nfs/dbraw/zinc/81/43/04/343814304.db2.gz MBTFJWPNHRSPBP-CMPLNLGQSA-N 1 0 209.264 1.968 10 0 BDAERO O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@H](F)C1 ZINC000409423052 343814855 /nfs/dbraw/zinc/81/48/55/343814855.db2.gz KYZMJCCNCFBDPS-UWVGGRQHSA-N 1 0 214.284 1.089 10 0 BDAERO COc1cccc([C@@H]2C[NH2+]C[C@H]2CF)c1 ZINC000409423295 343815352 /nfs/dbraw/zinc/81/53/52/343815352.db2.gz PRCBWHQGYLDTLR-PWSUYJOCSA-N 1 0 209.264 1.968 10 0 BDAERO CCC[N@@H+]1CCC[C@H](n2cc(C=O)nn2)C1 ZINC000409423781 343816357 /nfs/dbraw/zinc/81/63/57/343816357.db2.gz CZQZFMIGXDINLA-NSHDSACASA-N 1 0 222.292 1.138 10 0 BDAERO C1CCC2(CCN(C3CC[NH2+]CC3)CC2)OC1 ZINC000409423800 343816477 /nfs/dbraw/zinc/81/64/77/343816477.db2.gz ANOOTUULAHORNU-UHFFFAOYSA-N 1 0 238.375 1.774 10 0 BDAERO CCOC[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000409425493 343819840 /nfs/dbraw/zinc/81/98/40/343819840.db2.gz GEWPEUYMYCYNNJ-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO CCOC[C@H]1CC(F)(F)CN1C1CC[NH2+]CC1 ZINC000409425937 343820879 /nfs/dbraw/zinc/82/08/79/343820879.db2.gz BIMDMTOZGLXRFE-LLVKDONJSA-N 1 0 248.317 1.485 10 0 BDAERO CCOC[C@@H]1CN(CC[NH3+])C[C@@H]1C(F)(F)F ZINC000409425904 343820942 /nfs/dbraw/zinc/82/09/42/343820942.db2.gz BEHBLPCGCMVSIZ-IUCAKERBSA-N 1 0 240.269 1.092 10 0 BDAERO [NH3+]Cc1nnn2c1CO[C@H](c1ccccc1)C2 ZINC000409426169 343821495 /nfs/dbraw/zinc/82/14/95/343821495.db2.gz DMLQBARNFIFTGY-LBPRGKRZSA-N 1 0 230.271 1.008 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C[NH3+])C1 ZINC000409431626 343824157 /nfs/dbraw/zinc/82/41/57/343824157.db2.gz ROCVLKAYBDLJMG-BXKDBHETSA-N 1 0 226.320 1.592 10 0 BDAERO CCOC[C@H]1C[N@H+](CCO)C[C@H]1C(F)(F)F ZINC000409431667 343824396 /nfs/dbraw/zinc/82/43/96/343824396.db2.gz JTFMSVJUIORSRI-RKDXNWHRSA-N 1 0 241.253 1.126 10 0 BDAERO CCCN(CCC)c1cc(OCC[NH3+])ncn1 ZINC000409429356 343805179 /nfs/dbraw/zinc/80/51/79/343805179.db2.gz KJVSPDCHFYHUQZ-UHFFFAOYSA-N 1 0 238.335 1.441 10 0 BDAERO [NH3+]Cc1cc2n(n1)C[C@@H](c1cccs1)OC2 ZINC000409429922 343807050 /nfs/dbraw/zinc/80/70/50/343807050.db2.gz UMLFMQLVXMMRIE-JTQLQIEISA-N 1 0 235.312 1.675 10 0 BDAERO Cc1ccc(CNC(=O)C2(C)CC[NH2+]CC2)n1C ZINC000062839940 178591686 /nfs/dbraw/zinc/59/16/86/178591686.db2.gz ZPBKEPZPVMCTOJ-UHFFFAOYSA-N 1 0 249.358 1.339 10 0 BDAERO [NH3+]Cc1ncn2c1CO[C@H](c1ccccc1)C2 ZINC000409430865 343809301 /nfs/dbraw/zinc/80/93/01/343809301.db2.gz WYHLFETXKTYBMD-ZDUSSCGKSA-N 1 0 229.283 1.613 10 0 BDAERO Cc1nc(CN2CC[NH2+]CC2)c2c(F)cccn12 ZINC000409442137 343857366 /nfs/dbraw/zinc/85/73/66/343857366.db2.gz TURDTNFYIFOZNP-UHFFFAOYSA-N 1 0 248.305 1.187 10 0 BDAERO [NH3+]Cc1cn(CCF)nc1-c1ccccc1 ZINC000409441180 343855464 /nfs/dbraw/zinc/85/54/64/343855464.db2.gz XFLLFVFITGIESB-UHFFFAOYSA-N 1 0 219.263 1.978 10 0 BDAERO COC[C@H]1CN(CC(=[NH2+])NO)CC12CCCC2 ZINC000409433675 343829728 /nfs/dbraw/zinc/82/97/28/343829728.db2.gz NDWOQBGGXLJXLT-SNVBAGLBSA-N 1 0 241.335 1.081 10 0 BDAERO COC[C@H]1CN(C(=O)C[NH3+])CC12CCCCC2 ZINC000409433930 343831134 /nfs/dbraw/zinc/83/11/34/343831134.db2.gz NTZVMKRPHQVIPY-LLVKDONJSA-N 1 0 240.347 1.000 10 0 BDAERO COC[C@H]1C[N@H+](CCO)CC12CCCCC2 ZINC000409435742 343840295 /nfs/dbraw/zinc/84/02/95/343840295.db2.gz WJJWDZSGXHEWOY-GFCCVEGCSA-N 1 0 227.348 1.507 10 0 BDAERO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCO[C@@H]2C)CCO1 ZINC000381975420 346997566 /nfs/dbraw/zinc/99/75/66/346997566.db2.gz ABZCBMFPFOEOAU-YVECIDJPSA-N 1 0 227.348 1.959 10 0 BDAERO CCc1cc(-c2cccnc2)nn1CC[NH3+] ZINC000409441966 343856908 /nfs/dbraw/zinc/85/69/08/343856908.db2.gz VTNHIWYYRYPUNZ-UHFFFAOYSA-N 1 0 216.288 1.466 10 0 BDAERO [NH3+]CCN1CCn2nc(-c3cccs3)cc2C1 ZINC000409438391 343843566 /nfs/dbraw/zinc/84/35/66/343843566.db2.gz MPIHITIQUWYOOS-UHFFFAOYSA-N 1 0 248.355 1.386 10 0 BDAERO CCn1cc(CC[NH3+])c(-c2ccncc2)n1 ZINC000409437533 343843650 /nfs/dbraw/zinc/84/36/50/343843650.db2.gz HXYAKUGGTMUMBS-UHFFFAOYSA-N 1 0 216.288 1.466 10 0 BDAERO [NH3+]CCn1ccn2nc(C3CCCC3)cc12 ZINC000409437654 343843677 /nfs/dbraw/zinc/84/36/77/343843677.db2.gz ICUGFCKWEVKJLI-UHFFFAOYSA-N 1 0 218.304 1.752 10 0 BDAERO Nc1cc(C2CC2)nn1CC1CC[NH2+]CC1 ZINC000409438629 343844777 /nfs/dbraw/zinc/84/47/77/343844777.db2.gz MLCJIHQRNJQFCJ-UHFFFAOYSA-N 1 0 220.320 1.342 10 0 BDAERO CCn1cc(C(N)=[NH2+])c(-c2cccnc2)n1 ZINC000409438575 343844786 /nfs/dbraw/zinc/84/47/86/343844786.db2.gz LWSFWZADTRKAAD-UHFFFAOYSA-N 1 0 215.260 1.249 10 0 BDAERO CCc1[nH]nc(-c2ccoc2)c1CC[NH3+] ZINC000409438759 343845262 /nfs/dbraw/zinc/84/52/62/343845262.db2.gz FRNZEWUTRGPMRV-UHFFFAOYSA-N 1 0 205.261 1.733 10 0 BDAERO OCC[N@@H+]1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409438797 343845431 /nfs/dbraw/zinc/84/54/31/343845431.db2.gz OXHBYQYZZIERST-DTWKUNHWSA-N 1 0 205.248 1.346 10 0 BDAERO C[C@H](C(=[NH2+])NO)N(C(=O)OC(C)(C)C)C1CC1 ZINC000409438871 343845754 /nfs/dbraw/zinc/84/57/54/343845754.db2.gz DVHKBTFOXNSMDP-SSDOTTSWSA-N 1 0 243.307 1.730 10 0 BDAERO CN(C)c1ccc([C@H](C[NH3+])N2CCCCC2)o1 ZINC000409438972 343846108 /nfs/dbraw/zinc/84/61/08/343846108.db2.gz FJAQHQYOPUUCIX-NSHDSACASA-N 1 0 237.347 1.831 10 0 BDAERO Cc1[nH]nc(C(C)C)c1CCN1CC[NH2+]CC1 ZINC000409439066 343846453 /nfs/dbraw/zinc/84/64/53/343846453.db2.gz GLAAKZUXWAUWAI-UHFFFAOYSA-N 1 0 236.363 1.289 10 0 BDAERO CC(C)(C)c1cc(N)n(C[C@@H]2CCCC[NH2+]2)n1 ZINC000409439598 343847823 /nfs/dbraw/zinc/84/78/23/343847823.db2.gz PVQVIGWJMYEUFY-JTQLQIEISA-N 1 0 236.363 1.905 10 0 BDAERO NC(=[NH2+])c1cn(CCF)nc1-c1ccncc1 ZINC000409438132 343849901 /nfs/dbraw/zinc/84/99/01/343849901.db2.gz KDJACAWEVNVAAA-UHFFFAOYSA-N 1 0 233.250 1.199 10 0 BDAERO [NH3+]CC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000127164467 343883860 /nfs/dbraw/zinc/88/38/60/343883860.db2.gz CBDQGABHBVXVCG-BQBZGAKWSA-N 1 0 209.211 1.883 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)CC ZINC000081925474 537831469 /nfs/dbraw/zinc/83/14/69/537831469.db2.gz YDAKWBCAEDHZNL-ZJUUUORDSA-N 1 0 219.350 1.342 10 0 BDAERO CC(C)Cn1nc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000409443655 343862445 /nfs/dbraw/zinc/86/24/45/343862445.db2.gz QVLSZXWEQWAAPU-UHFFFAOYSA-N 1 0 234.225 1.842 10 0 BDAERO C[NH2+][C@@H]1CCC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000409442729 343864377 /nfs/dbraw/zinc/86/43/77/343864377.db2.gz ZTWAGRGEIDLVGH-VXGBXAGGSA-N 1 0 244.294 1.423 10 0 BDAERO [NH3+]CCc1cc(-c2ccncc2)nn1C(F)F ZINC000409443186 343866085 /nfs/dbraw/zinc/86/60/85/343866085.db2.gz ILMKSBCEOXKWMD-UHFFFAOYSA-N 1 0 238.241 1.841 10 0 BDAERO Cc1ccc(CNC2=[NH+]C[C@@H](C)S2)cn1 ZINC000062057082 178602015 /nfs/dbraw/zinc/60/20/15/178602015.db2.gz CHYDUBHJMSNSLH-SECBINFHSA-N 1 0 221.329 1.971 10 0 BDAERO COc1ccc([C@@H](C)N2CC[NH2+]CC2)cc1F ZINC000022128674 343907545 /nfs/dbraw/zinc/90/75/45/343907545.db2.gz XPFDHFSAMYWDDD-SNVBAGLBSA-N 1 0 238.306 1.801 10 0 BDAERO CC[C@@H](CC(F)F)Cn1cc(C[NH3+])nn1 ZINC000641181904 362259264 /nfs/dbraw/zinc/25/92/64/362259264.db2.gz HHJKRXRAEWPXLW-ZETCQYMHSA-N 1 0 218.251 1.418 10 0 BDAERO C[NH2+][C@H](c1c(Br)nnn1C)C(C)C ZINC000234405865 343963904 /nfs/dbraw/zinc/96/39/04/343963904.db2.gz RNAJLHAJDMJWDD-LURJTMIESA-N 1 0 247.140 1.494 10 0 BDAERO CN[C@@H](C[NH3+])c1ccc(F)cc1Cl ZINC000234425713 343965809 /nfs/dbraw/zinc/96/58/09/343965809.db2.gz GZUYGYHAUMQMEP-VIFPVBQESA-N 1 0 202.660 1.698 10 0 BDAERO CC1(C)C[N@@H+]([C@H]2CCC(=O)C2)CCS1 ZINC000135215142 343968657 /nfs/dbraw/zinc/96/86/57/343968657.db2.gz NEMNZXRTTQWETP-VIFPVBQESA-N 1 0 213.346 1.935 10 0 BDAERO C[C@@H](C(N)=[NH2+])N1CCSC(C)(C)C1 ZINC000135213902 343968726 /nfs/dbraw/zinc/96/87/26/343968726.db2.gz KNRNFZLUDJCYCG-ZETCQYMHSA-N 1 0 201.339 1.138 10 0 BDAERO Cc1nc(C[C@]2([NH3+])CCO[C@H]2C)cs1 ZINC000127248295 344078939 /nfs/dbraw/zinc/07/89/39/344078939.db2.gz RJMGKKWATBIYGN-OIBJUYFYSA-N 1 0 212.318 1.500 10 0 BDAERO C[C@H]1C[C@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634740949 344163347 /nfs/dbraw/zinc/16/33/47/344163347.db2.gz NPLXMNUBGJGGHL-ZPFDUUQYSA-N 1 0 222.332 1.148 10 0 BDAERO C=CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616569270 344170225 /nfs/dbraw/zinc/17/02/25/344170225.db2.gz HWNFYTKTWZTZOM-OLZOCXBDSA-N 1 0 230.311 1.434 10 0 BDAERO CC(C)C[C@@H]1CCN(C(=O)C(C)C)C[C@@H]1[NH3+] ZINC000616569725 344171808 /nfs/dbraw/zinc/17/18/08/344171808.db2.gz JSXOYOMFVZIWEY-RYUDHWBXSA-N 1 0 226.364 1.864 10 0 BDAERO COC1(C[N@@H+]2CCC(=O)[C@@H](C)C2)CCC1 ZINC000234653133 344172951 /nfs/dbraw/zinc/17/29/51/344172951.db2.gz KTCCGOABOPIZDR-JTQLQIEISA-N 1 0 211.305 1.466 10 0 BDAERO O=C(NCC1CCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634739264 344156749 /nfs/dbraw/zinc/15/67/49/344156749.db2.gz NYTVQCDVOOARST-JSGCOSHPSA-N 1 0 236.359 1.683 10 0 BDAERO CC1(C)[C@@H]2CN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)C[C@@H]21 ZINC000634758164 344225658 /nfs/dbraw/zinc/22/56/58/344225658.db2.gz JRHWCEKSHBBQLU-OHTBPHCPSA-N 1 0 248.370 1.491 10 0 BDAERO C/C=C(/C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000616572336 344183692 /nfs/dbraw/zinc/18/36/92/344183692.db2.gz ROJZEPYPNMYRPS-WBJUDYSNSA-N 1 0 208.305 1.306 10 0 BDAERO CC[C@H]1CCN(C(=O)C2CCC2)C[C@H]1[NH3+] ZINC000616572951 344184264 /nfs/dbraw/zinc/18/42/64/344184264.db2.gz XTXGKCLEYVGZPB-GXSJLCMTSA-N 1 0 210.321 1.372 10 0 BDAERO C/C=C\C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000616572607 344184718 /nfs/dbraw/zinc/18/47/18/344184718.db2.gz SVGUWROCELPEGP-YWUCGTOHSA-N 1 0 236.237 1.301 10 0 BDAERO CCC(=O)N1CCC2(CCCC[C@H]2[NH3+])CC1 ZINC000616572707 344185161 /nfs/dbraw/zinc/18/51/61/344185161.db2.gz UELHZGWPMCSUHU-LLVKDONJSA-N 1 0 224.348 1.907 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]CC1=CCCOC1 ZINC000127043953 344187028 /nfs/dbraw/zinc/18/70/28/344187028.db2.gz QVGQHQJKUQELBF-CQSZACIVSA-N 1 0 240.391 1.899 10 0 BDAERO CCc1nc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cs1 ZINC000084237235 344189643 /nfs/dbraw/zinc/18/96/43/344189643.db2.gz UYKOQKZRRKGCQB-ONGXEEELSA-N 1 0 240.372 1.956 10 0 BDAERO CCOc1ccc([C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000027549946 344271474 /nfs/dbraw/zinc/27/14/74/344271474.db2.gz JDYCAAZAMSZYBL-WCQYABFASA-N 1 0 203.285 1.946 10 0 BDAERO Cc1ncccc1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764737 344277151 /nfs/dbraw/zinc/27/71/51/344277151.db2.gz ACLXWDRLQFOHOK-FZMZJTMJSA-N 1 0 245.326 1.718 10 0 BDAERO CCc1cc(N2C[C@@H]([NH3+])C[C@H]2C)nc(C)n1 ZINC000384955219 344278113 /nfs/dbraw/zinc/27/81/13/344278113.db2.gz CGEYQZFJFQQWRC-SCZZXKLOSA-N 1 0 220.320 1.273 10 0 BDAERO CC[C@@H]1C[C@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772441 344288448 /nfs/dbraw/zinc/28/84/48/344288448.db2.gz LEAGERBNUKRRTH-XZUYRWCXSA-N 1 0 222.332 1.291 10 0 BDAERO [NH3+]CC[C@@H](O)c1scnc1Br ZINC000236258703 344328573 /nfs/dbraw/zinc/32/85/73/344328573.db2.gz VVEZWUQIBUNLKA-SCSAIBSYSA-N 1 0 237.122 1.288 10 0 BDAERO Cn1nnc(Br)c1[C@H]1CCC[C@@H]1[NH3+] ZINC000236142868 344301162 /nfs/dbraw/zinc/30/11/62/344301162.db2.gz YWFRQMOGWXQKIG-WDSKDSINSA-N 1 0 245.124 1.172 10 0 BDAERO CC(C)C1([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000084375728 344423351 /nfs/dbraw/zinc/42/33/51/344423351.db2.gz OWHMZIYBGNDLNN-UHFFFAOYSA-N 1 0 214.309 1.591 10 0 BDAERO Cc1cc(C)nc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385252093 344386202 /nfs/dbraw/zinc/38/62/02/344386202.db2.gz OCUVZMFSNVBQKE-NXEZZACHSA-N 1 0 206.293 1.019 10 0 BDAERO CCSCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600886928 344386301 /nfs/dbraw/zinc/38/63/01/344386301.db2.gz UPXORAGGYDOBHP-WDEREUQCSA-N 1 0 232.393 1.178 10 0 BDAERO CC(C)(C)[NH2+]C[C@H](O)COC(C1CC1)C1CC1 ZINC000028757632 344413500 /nfs/dbraw/zinc/41/35/00/344413500.db2.gz VEVOYGOKIZRJNA-LBPRGKRZSA-N 1 0 241.375 1.941 10 0 BDAERO C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)C1OCCO1 ZINC000123833662 192070594 /nfs/dbraw/zinc/07/05/94/192070594.db2.gz GGEGEFKDBZBPNW-RYUDHWBXSA-N 1 0 241.331 1.393 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000616607673 344465253 /nfs/dbraw/zinc/46/52/53/344465253.db2.gz XNDCIXDOBWFFDH-GFCCVEGCSA-N 1 0 218.300 1.942 10 0 BDAERO Cc1nc(C[C@]2(F)CC[NH2+]C2)cs1 ZINC000158182431 344561341 /nfs/dbraw/zinc/56/13/41/344561341.db2.gz YHRVRYDLELRWNL-SECBINFHSA-N 1 0 200.282 1.696 10 0 BDAERO CC1(C)CC[N@H+](CC(=O)[C@H]2CCOC2)C1 ZINC000158271162 344580265 /nfs/dbraw/zinc/58/02/65/344580265.db2.gz GKVSPFBPFUHGPO-JTQLQIEISA-N 1 0 211.305 1.324 10 0 BDAERO [NH3+]Cc1cc(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000396112281 344605834 /nfs/dbraw/zinc/60/58/34/344605834.db2.gz LAEMDFBZPCJXTG-UHFFFAOYSA-N 1 0 236.149 1.952 10 0 BDAERO C[C@@H]1C[N@H+]([C@@H]2CCC(=O)C2)C[C@H](C)N1C ZINC000127795879 344654779 /nfs/dbraw/zinc/65/47/79/344654779.db2.gz ZNQUZLIWGZKTQD-OUAUKWLOSA-N 1 0 210.321 1.132 10 0 BDAERO Cc1ccc(C)c(C(=O)CN2CC[C@@H]([NH3+])C2)c1 ZINC000050242508 344660708 /nfs/dbraw/zinc/66/07/08/344660708.db2.gz SUJPZGUUCHIGQB-GFCCVEGCSA-N 1 0 232.327 1.519 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626005148 344667814 /nfs/dbraw/zinc/66/78/14/344667814.db2.gz XAAQUUPJOGWYRH-WDEREUQCSA-N 1 0 219.300 1.208 10 0 BDAERO C[C@@H]1C[C@H](n2cc[nH]c2=S)CC[N@@H+]1C ZINC000158555519 344676515 /nfs/dbraw/zinc/67/65/15/344676515.db2.gz NHBKSGHVFCBXHS-RKDXNWHRSA-N 1 0 211.334 1.827 10 0 BDAERO CC(C)(C)[C@@](F)(CN)[C@@H]1CCCC[NH2+]1 ZINC000158375893 344630193 /nfs/dbraw/zinc/63/01/93/344630193.db2.gz OAHNZWQJNVJYKT-GXSJLCMTSA-N 1 0 202.317 1.842 10 0 BDAERO Cc1cc(Cl)ccc1N1C[C@H]([NH3+])C1=O ZINC000227619665 344644643 /nfs/dbraw/zinc/64/46/43/344644643.db2.gz QFBQIKKGMMIPQH-QMMMGPOBSA-N 1 0 210.664 1.322 10 0 BDAERO CC(C)NC(=[NH2+])N1CCSC[C@H]1C ZINC000069762378 344745698 /nfs/dbraw/zinc/74/56/98/344745698.db2.gz RESSZTFBFSNBQZ-MRVPVSSYSA-N 1 0 201.339 1.356 10 0 BDAERO C[N+]1=Cc2c3cc(F)ccc3[nH]c2CC1 ZINC000045952140 192075662 /nfs/dbraw/zinc/07/56/62/192075662.db2.gz SMNBCPPKSZJHEO-UHFFFAOYSA-O 1 0 203.240 1.924 10 0 BDAERO C[C@H](C(N)=S)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000221210480 344703354 /nfs/dbraw/zinc/70/33/54/344703354.db2.gz WZRSCZPCRMQFSX-HRDYMLBCSA-N 1 0 200.351 1.639 10 0 BDAERO C[NH+](C)C(C)(C)CNc1ccnc(F)c1 ZINC000227642717 344710031 /nfs/dbraw/zinc/71/00/31/344710031.db2.gz JOANOTQSYGDCNC-UHFFFAOYSA-N 1 0 211.284 1.973 10 0 BDAERO Cc1nn([C@H](C)C(N)=[NH2+])c(C)c1Br ZINC000050593438 344717121 /nfs/dbraw/zinc/71/71/21/344717121.db2.gz NCUCRABNUWCJPC-ZCFIWIBFSA-N 1 0 245.124 1.759 10 0 BDAERO CC(C)(O)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128259759 192076427 /nfs/dbraw/zinc/07/64/27/192076427.db2.gz NAHAVNZINODJEC-TZMCWYRMSA-N 1 0 241.375 1.774 10 0 BDAERO c1nc2c([nH]1)[C@@]1(CC3CCC1CC3)[NH2+]CC2 ZINC000400414473 537857148 /nfs/dbraw/zinc/85/71/48/537857148.db2.gz UPCXRFPQLYBIGO-ZPPKWKGLSA-N 1 0 217.316 1.961 10 0 BDAERO COC[C@@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000309496557 347077594 /nfs/dbraw/zinc/07/75/94/347077594.db2.gz YNEMRIVEVSDNRK-LLVKDONJSA-N 1 0 230.352 1.256 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1c(Cl)ncnc1Cl ZINC000235157477 344824530 /nfs/dbraw/zinc/82/45/30/344824530.db2.gz ZJSMMVHPCDMXIB-GSVOUGTGSA-N 1 0 235.074 1.069 10 0 BDAERO Cc1nnc([C@H](C)[NH2+][C@H]2CCC[C@@]2(C)CO)[nH]1 ZINC000408470799 344830824 /nfs/dbraw/zinc/83/08/24/344830824.db2.gz XFEBPLCCKDYPQB-PEXQALLHSA-N 1 0 238.335 1.315 10 0 BDAERO C[C@@H]1OCC[C@@H]1SC1CC[NH2+]CC1 ZINC000235294729 344875786 /nfs/dbraw/zinc/87/57/86/344875786.db2.gz VRAXTDYSBNFXAL-WPRPVWTQSA-N 1 0 201.335 1.649 10 0 BDAERO Cc1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)[nH]c1C ZINC000628167317 344877691 /nfs/dbraw/zinc/87/76/91/344877691.db2.gz KVKPIPKRCSCXFK-GFCCVEGCSA-N 1 0 234.347 1.307 10 0 BDAERO C[C@@H](C(=O)c1ccco1)[C@H]1COCC[NH2+]1 ZINC000166447577 344898446 /nfs/dbraw/zinc/89/84/46/344898446.db2.gz PPZFPRYJBYDDDO-RKDXNWHRSA-N 1 0 209.245 1.087 10 0 BDAERO Brc1cn([C@@H]2CCC[NH2+]C2)cn1 ZINC000667414523 537875113 /nfs/dbraw/zinc/87/51/13/537875113.db2.gz DLEYPDOHFJZOAR-SSDOTTSWSA-N 1 0 230.109 1.570 10 0 BDAERO Cc1ccc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])nn1 ZINC000104322599 178779706 /nfs/dbraw/zinc/77/97/06/178779706.db2.gz NHXPNYCSNCHWEO-JSGCOSHPSA-N 1 0 240.310 1.822 10 0 BDAERO C[C@H]1SCC[C@@]1(CN)[N@H+](C)C1CCC1 ZINC000235618106 344956088 /nfs/dbraw/zinc/95/60/88/344956088.db2.gz FXXLMMMAYHMHLE-KOLCDFICSA-N 1 0 214.378 1.694 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+]CCn2cc(C)cn2)C1 ZINC000234827118 537878325 /nfs/dbraw/zinc/87/83/25/537878325.db2.gz JMMXXPBKMGXGQV-QWHCGFSZSA-N 1 0 237.347 1.739 10 0 BDAERO Cc1cnc(CN2CC[NH2+]C[C@@H]2C)s1 ZINC000235579044 344947859 /nfs/dbraw/zinc/94/78/59/344947859.db2.gz VQQYDHFOWGLVCL-QMMMGPOBSA-N 1 0 211.334 1.245 10 0 BDAERO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)n1 ZINC000235000111 537883409 /nfs/dbraw/zinc/88/34/09/537883409.db2.gz FZOQNDZRFCIZPA-ZYHUDNBSSA-N 1 0 236.315 1.483 10 0 BDAERO [NH3+][C@@H](CCO)c1cc(Br)ccc1F ZINC000044233057 344988371 /nfs/dbraw/zinc/98/83/71/344988371.db2.gz CABWQPCVYDYEOE-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO COc1cccc([C@@H]([NH3+])CCO)c1OC ZINC000044396328 345051156 /nfs/dbraw/zinc/05/11/56/345051156.db2.gz JMNFUVWNCHBAMU-VIFPVBQESA-N 1 0 211.261 1.086 10 0 BDAERO COc1ccc(F)c([C@H](N)CF)c1F ZINC000238347734 345027066 /nfs/dbraw/zinc/02/70/66/345027066.db2.gz DLJBXBLCLSDEHY-ZCFIWIBFSA-N 1 0 205.179 1.943 10 0 BDAERO CC[C@H]([NH3+])Cc1c(Br)cnn1C ZINC000044402197 345055249 /nfs/dbraw/zinc/05/52/49/345055249.db2.gz 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/nfs/dbraw/zinc/18/01/21/346180121.db2.gz XYTDBFGQTNJVBH-MXWKQRLJSA-N 1 0 200.326 1.094 10 0 BDAERO Cn1nnc(Br)c1[C@@]1(C)CCC[NH2+]1 ZINC000236126388 346194047 /nfs/dbraw/zinc/19/40/47/346194047.db2.gz AAURGXZPRDRBKN-MRVPVSSYSA-N 1 0 245.124 1.176 10 0 BDAERO Nc1ncc([C@@H](F)[C@@H]2CCC[NH2+]2)s1 ZINC000236383789 346233169 /nfs/dbraw/zinc/23/31/69/346233169.db2.gz XWEVMEIHINARRZ-FSPLSTOPSA-N 1 0 201.270 1.488 10 0 BDAERO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000310362338 179011076 /nfs/dbraw/zinc/01/10/76/179011076.db2.gz KRHRYAPWYKVNOR-MWLCHTKSSA-N 1 0 234.299 1.262 10 0 BDAERO Cc1cccc(C(=O)N[C@H](C)CC[NH+](C)C)c1N ZINC000049551421 179023719 /nfs/dbraw/zinc/02/37/19/179023719.db2.gz BQVAHNBPVSMACT-LLVKDONJSA-N 1 0 249.358 1.647 10 0 BDAERO Cc1cccc(C(=O)N[C@@H](C)CC[NH+](C)C)c1N ZINC000049551420 179021549 /nfs/dbraw/zinc/02/15/49/179021549.db2.gz BQVAHNBPVSMACT-NSHDSACASA-N 1 0 249.358 1.647 10 0 BDAERO Cc1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)on1 ZINC000390680022 346296013 /nfs/dbraw/zinc/29/60/13/346296013.db2.gz XBLHXYUAELXMBL-ZYHUDNBSSA-N 1 0 224.304 1.624 10 0 BDAERO CCC[C@@H](C[NH3+])[C@@H](O)c1cnsc1 ZINC000669377789 537965567 /nfs/dbraw/zinc/96/55/67/537965567.db2.gz WJSUGWRLBWGHTM-IONNQARKSA-N 1 0 200.307 1.552 10 0 BDAERO CCN([C@@H]1CC[NH2+]C1)[C@H]1CCSC1 ZINC000249988814 362680164 /nfs/dbraw/zinc/68/01/64/362680164.db2.gz MSWAWOKCLQEBBA-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO CSC[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000153933746 346314429 /nfs/dbraw/zinc/31/44/29/346314429.db2.gz UUWHMCHCSKUDSA-ZJUUUORDSA-N 1 0 245.392 1.083 10 0 BDAERO Cc1cccc(CCN2CCC[C@@H]([NH3+])C2)c1 ZINC000057939517 179056875 /nfs/dbraw/zinc/05/68/75/179056875.db2.gz LFJALKOIEABECH-CQSZACIVSA-N 1 0 218.344 1.961 10 0 BDAERO Cc1cccc(CCN2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000335437574 179056882 /nfs/dbraw/zinc/05/68/82/179056882.db2.gz SVFCKBKXIYQOFS-OAHLLOKOSA-N 1 0 245.370 1.713 10 0 BDAERO CCOCCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161611847 346343322 /nfs/dbraw/zinc/34/33/22/346343322.db2.gz ZESYWQQDJIUURU-LLVKDONJSA-N 1 0 201.310 1.117 10 0 BDAERO CC(C)CC(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669378474 537970670 /nfs/dbraw/zinc/97/06/70/537970670.db2.gz HLUXWQUESPSBAN-SNVBAGLBSA-N 1 0 222.279 1.521 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1CC[NH3+] ZINC000669378732 537972449 /nfs/dbraw/zinc/97/24/49/537972449.db2.gz KCCPIFLUASABGK-ZYHUDNBSSA-N 1 0 224.348 1.620 10 0 BDAERO Cc1cccc(CN2CCC([NH3+])CC2)n1 ZINC000036373008 179074780 /nfs/dbraw/zinc/07/47/80/179074780.db2.gz CPRWTWWKEVYCTA-UHFFFAOYSA-N 1 0 205.305 1.313 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000641782131 362721069 /nfs/dbraw/zinc/72/10/69/362721069.db2.gz ITVJZJWFURKPMD-XQHKEYJVSA-N 1 0 227.348 1.695 10 0 BDAERO [NH3+][C@@H]1CCN(CC(=O)C2CCCCC2)C1 ZINC000158239043 346391646 /nfs/dbraw/zinc/39/16/46/346391646.db2.gz FFKVPGIGKOGNRA-LLVKDONJSA-N 1 0 210.321 1.169 10 0 BDAERO Cc1cccc(CNC2=[NH+]CCCS2)n1 ZINC000051577187 179088787 /nfs/dbraw/zinc/08/87/87/179088787.db2.gz UWMUTQHWJKKFLJ-UHFFFAOYSA-N 1 0 221.329 1.973 10 0 BDAERO CC(C)[C@](F)(C[NH3+])c1cnc(N)s1 ZINC000159900747 346434820 /nfs/dbraw/zinc/43/48/20/346434820.db2.gz RVVLHLFSPHQJQP-MRVPVSSYSA-N 1 0 203.286 1.505 10 0 BDAERO CCC[C@H](C)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000669379398 537980104 /nfs/dbraw/zinc/98/01/04/537980104.db2.gz ZPYMMGDUWAGKMZ-QJPTWQEYSA-N 1 0 226.364 1.784 10 0 BDAERO CC1CC[NH+](CC23CC(CO)(C2)CO3)CC1 ZINC000669379456 537978901 /nfs/dbraw/zinc/97/89/01/537978901.db2.gz CHMQFDYCXLQGQP-UHFFFAOYSA-N 1 0 225.332 1.260 10 0 BDAERO OC1CCN([C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241813 537980833 /nfs/dbraw/zinc/98/08/33/537980833.db2.gz QWNAINPHELQFCE-RYUDHWBXSA-N 1 0 224.348 1.070 10 0 BDAERO C[N@H+](C[C@@H](O)CCC1(O)CCC1)C1CC1 ZINC000669379717 537980865 /nfs/dbraw/zinc/98/08/65/537980865.db2.gz KPKFSCSNUMYHGG-NSHDSACASA-N 1 0 213.321 1.137 10 0 BDAERO CC(C)NC(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669379575 537981028 /nfs/dbraw/zinc/98/10/28/537981028.db2.gz FVUZRROWZFQIQP-SECBINFHSA-N 1 0 223.267 1.067 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419201085 192103136 /nfs/dbraw/zinc/10/31/36/192103136.db2.gz BUIIFEBSKJBFFM-LBPRGKRZSA-N 1 0 227.348 1.507 10 0 BDAERO OC1CCC([NH+]2CCSCC2)CC1 ZINC000148879873 346472752 /nfs/dbraw/zinc/47/27/52/346472752.db2.gz GLTYVDOSKYGOBQ-UHFFFAOYSA-N 1 0 201.335 1.339 10 0 BDAERO COc1cccc(Cl)c1[C@@H](O)[C@H](C)[NH3+] ZINC000162029904 346506875 /nfs/dbraw/zinc/50/68/75/346506875.db2.gz DQTMOJACQPCYDG-WKEGUHRASA-N 1 0 215.680 1.729 10 0 BDAERO Nc1cc[nH+]cc1C(=O)C[C@H]1CCOC1 ZINC000162250969 346516603 /nfs/dbraw/zinc/51/66/03/346516603.db2.gz GQTWFDSWCXVNCA-MRVPVSSYSA-N 1 0 206.245 1.273 10 0 BDAERO Cc1cccc(C[C@H](O)[C@@H]2CCC[NH2+]C2)c1 ZINC000041232883 179106371 /nfs/dbraw/zinc/10/63/71/179106371.db2.gz DHOSWQNHXQXXCQ-KGLIPLIRSA-N 1 0 219.328 1.898 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000300373980 346530772 /nfs/dbraw/zinc/53/07/72/346530772.db2.gz BDDAIMKUEFZJHB-UTUOFQBUSA-N 1 0 223.320 1.022 10 0 BDAERO CSC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000300814031 346549090 /nfs/dbraw/zinc/54/90/90/346549090.db2.gz HPVDCESHJKAAGW-NXEZZACHSA-N 1 0 242.388 1.468 10 0 BDAERO C[C@@H]1CSC(N[C@]2(C)CCOC2)=[NH+]1 ZINC000164054205 346588562 /nfs/dbraw/zinc/58/85/62/346588562.db2.gz QDRFAJDUNDYETA-VXNVDRBHSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@@H]([NH3+])[C@@H](N1CCCCO1)C(F)(F)F ZINC000164196561 346595504 /nfs/dbraw/zinc/59/55/04/346595504.db2.gz MWCYYBMJXPNWCD-RNFRBKRXSA-N 1 0 212.215 1.292 10 0 BDAERO Cc1cccc(NC(=O)CN(C)C[C@H](C)C[NH3+])c1 ZINC000042455919 179127806 /nfs/dbraw/zinc/12/78/06/179127806.db2.gz SNPYNNZXJVJTIY-GFCCVEGCSA-N 1 0 249.358 1.460 10 0 BDAERO [NH3+][C@@H]1CCCN(c2nc(Cl)cs2)C1 ZINC000165289435 346646576 /nfs/dbraw/zinc/64/65/76/346646576.db2.gz KXGAEOXVAXVEDN-ZCFIWIBFSA-N 1 0 217.725 1.724 10 0 BDAERO COC(OC)c1cn(O)c2ccccc2[n+]1=O ZINC000585138892 346647963 /nfs/dbraw/zinc/64/79/63/346647963.db2.gz ZIDUHFHCHNSOCD-UHFFFAOYSA-N 1 0 237.235 1.085 10 0 BDAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000124023067 537984709 /nfs/dbraw/zinc/98/47/09/537984709.db2.gz DZCSZNLBQHFZPO-WDEREUQCSA-N 1 0 234.299 1.525 10 0 BDAERO CC(=O)CCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000203584036 346640837 /nfs/dbraw/zinc/64/08/37/346640837.db2.gz NMJZTSUJECQWBG-GFCCVEGCSA-N 1 0 242.363 1.448 10 0 BDAERO COCC(C)(C)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242561 537985667 /nfs/dbraw/zinc/98/56/67/537985667.db2.gz GGPHTVUQKFXHKD-LLVKDONJSA-N 1 0 223.320 1.280 10 0 BDAERO CS[C@@H](C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000308153850 346705966 /nfs/dbraw/zinc/70/59/66/346705966.db2.gz SGLYVDOGYFSCFX-DTWKUNHWSA-N 1 0 205.367 1.735 10 0 BDAERO CN1CC[N@H+](C)[C@@H](CC(=O)C(C)(C)C)C1 ZINC000149315371 346715941 /nfs/dbraw/zinc/71/59/41/346715941.db2.gz LRENQMXVYHGNJB-JTQLQIEISA-N 1 0 212.337 1.238 10 0 BDAERO CCCCOC[C@@H](O)C[NH+]1CC(CC2CC2)C1 ZINC000621992122 370649346 /nfs/dbraw/zinc/64/93/46/370649346.db2.gz MYAYDSXNXVBMME-AWEZNQCLSA-N 1 0 241.375 1.896 10 0 BDAERO CC[C@@](C)(OC)[C@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242815 537986602 /nfs/dbraw/zinc/98/66/02/537986602.db2.gz VZZCJDQFVYSCKS-NWDGAFQWSA-N 1 0 223.320 1.422 10 0 BDAERO Cc1nc(-c2nccn2C)cc([C@H]2CCC[NH2+]2)n1 ZINC000616417629 347117821 /nfs/dbraw/zinc/11/78/21/347117821.db2.gz RYYPOCKDHYFTDQ-SNVBAGLBSA-N 1 0 243.314 1.610 10 0 BDAERO Cc1cccc(OC[C@H](O)C[NH+](C)C)c1 ZINC000026444016 179171308 /nfs/dbraw/zinc/17/13/08/179171308.db2.gz AIECXLLNIAEJIV-LLVKDONJSA-N 1 0 209.289 1.296 10 0 BDAERO Cc1cccc(O[C@H]2COCC[C@H]2[NH3+])c1C ZINC000036305703 179175524 /nfs/dbraw/zinc/17/55/24/179175524.db2.gz BMSKRKHOMUHNLG-YPMHNXCESA-N 1 0 221.300 1.798 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N2CCC(CO)CC2)c1 ZINC000020178964 179184742 /nfs/dbraw/zinc/18/47/42/179184742.db2.gz XRYFYTSSDOAJAO-OAHLLOKOSA-N 1 0 248.370 1.699 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N2CCC[C@H](O)C2)c1 ZINC000042966410 179185491 /nfs/dbraw/zinc/18/54/91/179185491.db2.gz WFDIHJMXMOTTJM-UONOGXRCSA-N 1 0 234.343 1.452 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])Sc2nc[nH]n2)c1 ZINC000042969592 179185621 /nfs/dbraw/zinc/18/56/21/179185621.db2.gz FZWZJLHPKNKEBA-SNVBAGLBSA-N 1 0 234.328 1.905 10 0 BDAERO CC(C)[C@H](C)C(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669380300 537987392 /nfs/dbraw/zinc/98/73/92/537987392.db2.gz KZNJCPDWWFLRAJ-GZMMTYOYSA-N 1 0 236.306 1.767 10 0 BDAERO CC(C)Nc1ccnnc1N(C)C1CC[NH2+]CC1 ZINC000038977734 347174208 /nfs/dbraw/zinc/17/42/08/347174208.db2.gz FGRUQFMVLRMMLG-UHFFFAOYSA-N 1 0 249.362 1.485 10 0 BDAERO CC1(C)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000336759058 347250851 /nfs/dbraw/zinc/25/08/51/347250851.db2.gz ZWVKMIJELQDJMV-JTQLQIEISA-N 1 0 245.388 1.732 10 0 BDAERO CN(CC[NH2+]C[C@H](O)C(C)(C)C)C1CCCC1 ZINC000380215444 347236105 /nfs/dbraw/zinc/23/61/05/347236105.db2.gz JQMYXCGPVDSGKN-ZDUSSCGKSA-N 1 0 242.407 1.857 10 0 BDAERO CC[S@](=O)[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1[NH2+]C ZINC000250248923 362796889 /nfs/dbraw/zinc/79/68/89/362796889.db2.gz QZIRJVALMGTGGT-GIBVNIFISA-N 1 0 217.378 1.778 10 0 BDAERO CN([C@H]1CCSC1)[C@H]1CCCC[NH2+]C1 ZINC000250350203 362800782 /nfs/dbraw/zinc/80/07/82/362800782.db2.gz AHQMHUGLLHHXGT-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H]1C(=O)NCCC[N@H+]1CCC(C)(C)C ZINC000189078815 347295728 /nfs/dbraw/zinc/29/57/28/347295728.db2.gz JFFCJJLVCRKSIH-SNVBAGLBSA-N 1 0 212.337 1.633 10 0 BDAERO Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)co1 ZINC000189154700 347297338 /nfs/dbraw/zinc/29/73/38/347297338.db2.gz UWLJETPINHTAJF-UHFFFAOYSA-N 1 0 248.326 1.898 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N2CCC[C@H](CO)C2)c1 ZINC000042966583 179199165 /nfs/dbraw/zinc/19/91/65/179199165.db2.gz STQODJPDBJWHLO-ZFWWWQNUSA-N 1 0 248.370 1.699 10 0 BDAERO Cc1cccc([C@H]([NH3+])C2CCOCC2)n1 ZINC000068957868 179200673 /nfs/dbraw/zinc/20/06/73/179200673.db2.gz TVLPWBNMCSALND-GFCCVEGCSA-N 1 0 206.289 1.816 10 0 BDAERO C[NH2+][C@@H]1CCC[C@@H]([S@](=O)C(C)C)C1 ZINC000250578896 362811044 /nfs/dbraw/zinc/81/10/44/362811044.db2.gz REQQWQXJMZVLGJ-GIPNMCIBSA-N 1 0 203.351 1.674 10 0 BDAERO c1nc2c([nH]1)[C@]1(C[C@H]3CCC[C@H]31)[NH2+]CC2 ZINC000725242904 537989349 /nfs/dbraw/zinc/98/93/49/537989349.db2.gz VWRAIKALEBQLGH-KBVBSXBZSA-N 1 0 203.289 1.571 10 0 BDAERO Cc1cnccc1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396601312 362825744 /nfs/dbraw/zinc/82/57/44/362825744.db2.gz XKDPUVYVURKYHG-YPMHNXCESA-N 1 0 219.332 1.620 10 0 BDAERO C[NH2+][C@H]1CCCN([C@H]2CCSC2)C1 ZINC000250781215 362820993 /nfs/dbraw/zinc/82/09/93/362820993.db2.gz XYJOZXAYBIBOIM-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO Cc1cccc[n+]1OCc1ccccc1 ZINC000001763528 179233754 /nfs/dbraw/zinc/23/37/54/179233754.db2.gz KXNMFGRYGHPQRO-UHFFFAOYSA-N 1 0 200.261 1.911 10 0 BDAERO C[C@H]([NH3+])CS[C@H]1CCCCC[C@H]1O ZINC000250973144 362829340 /nfs/dbraw/zinc/82/93/40/362829340.db2.gz GBBIWJKDQMHHTH-AEJSXWLSSA-N 1 0 203.351 1.760 10 0 BDAERO Cc1ccccc1-c1n[nH]c(CC[NH3+])n1 ZINC000071508434 179237553 /nfs/dbraw/zinc/23/75/53/179237553.db2.gz MFFUQNJGDOAGGD-UHFFFAOYSA-N 1 0 202.261 1.281 10 0 BDAERO CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000616568276 347444561 /nfs/dbraw/zinc/44/45/61/347444561.db2.gz AGBREGFCWPWSMO-OLZOCXBDSA-N 1 0 236.290 1.407 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(C)CC1 ZINC000616568446 347446984 /nfs/dbraw/zinc/44/69/84/347446984.db2.gz BNPMIFGNOZNLQM-ZJUUUORDSA-N 1 0 210.321 1.291 10 0 BDAERO CCC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251228066 362847631 /nfs/dbraw/zinc/84/76/31/362847631.db2.gz PMXWMEHNNYLWSH-MNOVXSKESA-N 1 0 210.321 1.134 10 0 BDAERO COc1ccc([C@H]2C[C@@H]([NH3+])CCN2C)cc1 ZINC000082364988 537993046 /nfs/dbraw/zinc/99/30/46/537993046.db2.gz LSCGLSNJHNUZCK-WCQYABFASA-N 1 0 220.316 1.789 10 0 BDAERO Cc1ccccc1S(=O)(=O)CCC[NH3+] ZINC000037665581 179314250 /nfs/dbraw/zinc/31/42/50/179314250.db2.gz FSROAFKMNMNPJI-UHFFFAOYSA-N 1 0 213.302 1.118 10 0 BDAERO CC(C)CC(=O)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000616570076 347899473 /nfs/dbraw/zinc/89/94/73/347899473.db2.gz DZCVLKKHLKJPRU-MNOVXSKESA-N 1 0 210.321 1.385 10 0 BDAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000103348254 179320775 /nfs/dbraw/zinc/32/07/75/179320775.db2.gz DHBFGJOJOCQZEI-ZYHUDNBSSA-N 1 0 246.310 1.403 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])CN1CCO[C@H](C)C1 ZINC000036879019 179324680 /nfs/dbraw/zinc/32/46/80/179324680.db2.gz GGFYRMWTTUKLMI-OCCSQVGLSA-N 1 0 234.343 1.716 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])c1cnn(C)c1 ZINC000026516993 179325115 /nfs/dbraw/zinc/32/51/15/179325115.db2.gz KMXKFJYTTZHBLF-LBPRGKRZSA-N 1 0 201.273 1.777 10 0 BDAERO Cc1ccccc1[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019785034 179326858 /nfs/dbraw/zinc/32/68/58/179326858.db2.gz QROSEGWDYRPUCO-AWEZNQCLSA-N 1 0 234.343 1.276 10 0 BDAERO CN(C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000036906828 347970481 /nfs/dbraw/zinc/97/04/81/347970481.db2.gz VZPXPYVPYHJPJB-LURJTMIESA-N 1 0 204.726 1.963 10 0 BDAERO Nc1c2ccccc2nc2c1C[C@@H]([NH3+])CC2 ZINC000669381619 537995524 /nfs/dbraw/zinc/99/55/24/537995524.db2.gz PNQDEZUWSJPLIC-QMMMGPOBSA-N 1 0 213.284 1.463 10 0 BDAERO CN1CCC([N@H+](C)CC[C@H]2CCC2=O)CC1 ZINC000669381703 537995810 /nfs/dbraw/zinc/99/58/10/537995810.db2.gz SHYXIQHJKJWLAE-LLVKDONJSA-N 1 0 224.348 1.382 10 0 BDAERO CC(C)(C)OC(=O)C1(C[NH3+])CCC(=O)CC1 ZINC000725244084 537996327 /nfs/dbraw/zinc/99/63/27/537996327.db2.gz DSIBNEGWXHDXEH-UHFFFAOYSA-N 1 0 227.304 1.416 10 0 BDAERO Cc1ccccc1[C@H](C)NC(=O)C[C@@H](C)[NH3+] ZINC000040854767 179336433 /nfs/dbraw/zinc/33/64/33/179336433.db2.gz QETBMHYYRNVJQN-MNOVXSKESA-N 1 0 220.316 1.910 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000103348255 179338908 /nfs/dbraw/zinc/33/89/08/179338908.db2.gz DHBFGJOJOCQZEI-CMPLNLGQSA-N 1 0 246.310 1.403 10 0 BDAERO N[C@@H]1C[NH2+]CC[C@@H]1c1ccc2c(c1)CCN2 ZINC000669381420 537996007 /nfs/dbraw/zinc/99/60/07/537996007.db2.gz JEVUKQHMHZRDPJ-VXGBXAGGSA-N 1 0 217.316 1.059 10 0 BDAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCC[C@H](O)C1 ZINC000043035267 179347744 /nfs/dbraw/zinc/34/77/44/179347744.db2.gz DKIWLJSPBDFUAQ-YDHLFZDLSA-N 1 0 248.370 1.840 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226232515 490124476 /nfs/dbraw/zinc/12/44/76/490124476.db2.gz YORWGFPUIGXGQY-DDHJBXDOSA-N 1 0 213.321 1.041 10 0 BDAERO CCC(CC)[NH2+]C[C@@]1(O)CCNCC1(F)F ZINC000669382432 537997265 /nfs/dbraw/zinc/99/72/65/537997265.db2.gz LHIKJHGGSUREJF-JTQLQIEISA-N 1 0 236.306 1.124 10 0 BDAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])n1cncn1 ZINC000043037688 179346630 /nfs/dbraw/zinc/34/66/30/179346630.db2.gz DHPRJZLNGFMTLL-JQWIXIFHSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1cccnc1-c1nc(C[NH3+])cs1 ZINC000043616977 179356187 /nfs/dbraw/zinc/35/61/87/179356187.db2.gz YLADBMKMQVVWPH-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO C=CC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000616571054 348095344 /nfs/dbraw/zinc/09/53/44/348095344.db2.gz JNKUAXKJCVDOCQ-LLVKDONJSA-N 1 0 222.332 1.601 10 0 BDAERO CCn1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000563804465 323178275 /nfs/dbraw/zinc/17/82/75/323178275.db2.gz NPRTVPCSLMAOHI-WDEREUQCSA-N 1 0 222.336 1.703 10 0 BDAERO CC(C)[C@H]([C@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000251357730 362866813 /nfs/dbraw/zinc/86/68/13/362866813.db2.gz URNQCTPRKGQLOL-LPEHRKFASA-N 1 0 219.350 1.041 10 0 BDAERO Cc1cccnc1C[NH2+]CC1(C)COC1 ZINC000070617544 179382496 /nfs/dbraw/zinc/38/24/96/179382496.db2.gz SRRRKWQFOWKBLC-UHFFFAOYSA-N 1 0 206.289 1.516 10 0 BDAERO CCCc1nc([C@H]2CC[N@H+](C)C2)cc(=O)[nH]1 ZINC000669381922 538000983 /nfs/dbraw/zinc/00/09/83/538000983.db2.gz AFWQGGZEQGALFZ-VIFPVBQESA-N 1 0 221.304 1.554 10 0 BDAERO Cc1cccnc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000335595638 179392696 /nfs/dbraw/zinc/39/26/96/179392696.db2.gz FRNZIGQTJKYSLT-MNOVXSKESA-N 1 0 233.315 1.717 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]2[C@H](CCC2(C)C)[S@@](=O)C1 ZINC000251670901 362897265 /nfs/dbraw/zinc/89/72/65/362897265.db2.gz HIZUBFPWTOVYBZ-PUXPGTEJSA-N 1 0 215.362 1.532 10 0 BDAERO CN1CCC[N@@H+]([C@@H]2CCCCC2=O)CC1 ZINC000037333666 348340472 /nfs/dbraw/zinc/34/04/72/348340472.db2.gz GEZDPYKAXWZOOA-LLVKDONJSA-N 1 0 210.321 1.136 10 0 BDAERO CC(C)C(=O)N[C@@H]1CC[C@H]2C[NH2+]CC[C@@H]21 ZINC000669382612 538003278 /nfs/dbraw/zinc/00/32/78/538003278.db2.gz CWRMESQWHXKBBY-GARJFASQSA-N 1 0 210.321 1.147 10 0 BDAERO [NH3+][C@H]1C[C@@H]1c1ccc(Br)o1 ZINC000037381304 348394631 /nfs/dbraw/zinc/39/46/31/348394631.db2.gz GNHMFOXDCNCVFQ-WHFBIAKZSA-N 1 0 202.051 1.857 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCCC[C@H]1C(N)=S ZINC000251799270 362923156 /nfs/dbraw/zinc/92/31/56/362923156.db2.gz KKSHUNORHHAYEE-BDAKNGLRSA-N 1 0 200.351 1.926 10 0 BDAERO COC(=O)[C@]1(Cl)O[C@@]12CCC[C@H]([NH+](C)C)C2 ZINC000669382701 538005288 /nfs/dbraw/zinc/00/52/88/538005288.db2.gz JMVDZDXPSSMDIY-GDPRMGEGSA-N 1 0 247.722 1.368 10 0 BDAERO C[C@@H]1CCC[N@@H+]1[C@@]1(CN)CCSC1 ZINC000216244792 349988572 /nfs/dbraw/zinc/98/85/72/349988572.db2.gz ZTBWPZHMBGLQJR-NXEZZACHSA-N 1 0 200.351 1.305 10 0 BDAERO FC(F)CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359611 348440461 /nfs/dbraw/zinc/44/04/61/348440461.db2.gz ZGCPHUIWUXIDNM-DTWKUNHWSA-N 1 0 204.264 1.468 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000420115947 192162524 /nfs/dbraw/zinc/16/25/24/192162524.db2.gz FVDKDMAKDWTFIN-JTQLQIEISA-N 1 0 245.330 1.394 10 0 BDAERO CSc1ccc([C@](C)([NH3+])C(N)=O)cc1 ZINC000037460241 348615304 /nfs/dbraw/zinc/61/53/04/348615304.db2.gz MYODWAAJUCBISG-JTQLQIEISA-N 1 0 210.302 1.068 10 0 BDAERO Cc1cnc(NC[C@H]2CCC[NH2+]C2)nc1Cl ZINC000095069337 179637011 /nfs/dbraw/zinc/63/70/11/179637011.db2.gz AUWIXNOWCXLFID-VIFPVBQESA-N 1 0 240.738 1.850 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cnc2ccnn2c1 ZINC000308819515 348711227 /nfs/dbraw/zinc/71/12/27/348711227.db2.gz BNPWQPGEZBDVIY-PSASIEDQSA-N 1 0 202.261 1.227 10 0 BDAERO CN(C)c1ccc2c(c1)NC[C@@]21C[C@H]1[NH3+] ZINC000725247135 538011136 /nfs/dbraw/zinc/01/11/36/538011136.db2.gz IPWOQVKMKPCIFH-NEPJUHHUSA-N 1 0 203.289 1.147 10 0 BDAERO Cc1cncc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000088451606 179663812 /nfs/dbraw/zinc/66/38/12/179663812.db2.gz QTSSEWVWOLSMNO-RYUDHWBXSA-N 1 0 233.315 1.390 10 0 BDAERO CN(c1nc(C[NH3+])ccc1Cl)C1CC1 ZINC000669383349 538010905 /nfs/dbraw/zinc/01/09/05/538010905.db2.gz TYIYKPGYPPEJOF-UHFFFAOYSA-N 1 0 211.696 1.792 10 0 BDAERO CC[C@@H]1CNCC[N@@H+]1C[C@H]1CCCS1 ZINC000251833789 362932062 /nfs/dbraw/zinc/93/20/62/362932062.db2.gz QDVXGPPGVPZSSV-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000054306043 348979186 /nfs/dbraw/zinc/97/91/86/348979186.db2.gz OBBARNVKDYGIKZ-NWDGAFQWSA-N 1 0 247.342 1.649 10 0 BDAERO CC[C@H]1CN(C[C@H]2CCCS2)CC[NH2+]1 ZINC000251845256 362935559 /nfs/dbraw/zinc/93/55/59/362935559.db2.gz REQIWOPKFCMYFR-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO CCCCN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054289993 348961492 /nfs/dbraw/zinc/96/14/92/348961492.db2.gz MRYBZDCXFKIJQP-LLVKDONJSA-N 1 0 212.337 1.635 10 0 BDAERO Cc1cnn([C@@H](C[NH3+])c2ccccc2F)c1 ZINC000043046265 179744953 /nfs/dbraw/zinc/74/49/53/179744953.db2.gz SJDCWWHDINZKPU-LBPRGKRZSA-N 1 0 219.263 1.879 10 0 BDAERO O=C(C1CCC1)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616571918 349057958 /nfs/dbraw/zinc/05/79/58/349057958.db2.gz OMDQINGSPFOISI-WDEREUQCSA-N 1 0 208.305 1.139 10 0 BDAERO C/C=C\C(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616573317 349069632 /nfs/dbraw/zinc/06/96/32/349069632.db2.gz RFUQXUDSOXUVGF-ATPLWMGHSA-N 1 0 218.300 1.899 10 0 BDAERO CC(C)([NH3+])Cc1nc(C(F)(F)F)n[nH]1 ZINC000616574565 349079459 /nfs/dbraw/zinc/07/94/59/349079459.db2.gz SWOZGUVPVQIDGY-UHFFFAOYSA-N 1 0 208.187 1.103 10 0 BDAERO CC[C@H](C)n1nnnc1[C@@H]1CCC[NH2+]C1 ZINC000616574473 349079623 /nfs/dbraw/zinc/07/96/23/349079623.db2.gz QDNDDRPDXKWFRR-DTWKUNHWSA-N 1 0 209.297 1.111 10 0 BDAERO CC[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1[NH3+] ZINC000616571686 349059472 /nfs/dbraw/zinc/05/94/72/349059472.db2.gz QYNLSEYJQPWMMS-UONOGXRCSA-N 1 0 246.354 1.815 10 0 BDAERO C=CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000616572617 349061787 /nfs/dbraw/zinc/06/17/87/349061787.db2.gz WYHSJZFHRQDMSK-QWHCGFSZSA-N 1 0 248.301 1.655 10 0 BDAERO CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616572899 349063806 /nfs/dbraw/zinc/06/38/06/349063806.db2.gz XJNMOUCNVNZVQN-OLZOCXBDSA-N 1 0 218.300 1.268 10 0 BDAERO C/C=C/C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616571932 349064301 /nfs/dbraw/zinc/06/43/01/349064301.db2.gz OQHCZXQYRNHPLQ-RIAPOHOLSA-N 1 0 236.237 1.219 10 0 BDAERO CC(C)=CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000616572205 349065035 /nfs/dbraw/zinc/06/50/35/349065035.db2.gz PTKXJXDTUPHUNE-MNOVXSKESA-N 1 0 208.305 1.306 10 0 BDAERO C=CC(=O)N1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000616572315 349066002 /nfs/dbraw/zinc/06/60/02/349066002.db2.gz RHFXXLGSMIUSBQ-LBPRGKRZSA-N 1 0 234.274 1.485 10 0 BDAERO CCN1C(=O)CC[C@@H]2[NH2+]CCCC[C@@]21C ZINC000616577649 349117210 /nfs/dbraw/zinc/11/72/10/349117210.db2.gz HQQYBCYWPNIPOG-JQWIXIFHSA-N 1 0 210.321 1.530 10 0 BDAERO C1CC1[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000616578764 349127183 /nfs/dbraw/zinc/12/71/83/349127183.db2.gz PYILYUJYLCDGEX-QWRGUYRKSA-N 1 0 212.362 1.318 10 0 BDAERO CO[C@@]1(COc2ccc(C)cc2)CC[NH2+]C1 ZINC000616579096 349130204 /nfs/dbraw/zinc/13/02/04/349130204.db2.gz PIIKVCJTWHOCJD-ZDUSSCGKSA-N 1 0 221.300 1.752 10 0 BDAERO Cc1csc(=O)n1CC[C@H]1CCC[NH2+]C1 ZINC000051919877 179763155 /nfs/dbraw/zinc/76/31/55/179763155.db2.gz JDJAXVOQPGYVPN-SNVBAGLBSA-N 1 0 226.345 1.608 10 0 BDAERO FC(F)Oc1ccc([C@@H]2CC[NH2+]C2)nc1 ZINC000299805650 538030602 /nfs/dbraw/zinc/03/06/02/538030602.db2.gz ZMOFTUQCTBYYTH-SSDOTTSWSA-N 1 0 214.215 1.760 10 0 BDAERO CC[C@H](C)C[C@H](C)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000252033585 349195817 /nfs/dbraw/zinc/19/58/17/349195817.db2.gz ZUBNFACAZHCMGQ-NNYUYHANSA-N 1 0 242.363 1.304 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)[C@@H]1OC ZINC000252791792 349206547 /nfs/dbraw/zinc/20/65/47/349206547.db2.gz ULMOYAFVHLXQQJ-MLGHIDQZSA-N 1 0 243.347 1.072 10 0 BDAERO C[C@H]1CC[C@H]([NH2+][C@@H]2COC[C@H]2F)CC1 ZINC000616581398 349263510 /nfs/dbraw/zinc/26/35/10/349263510.db2.gz PRIOTLSESNWXSC-GWOFURMSSA-N 1 0 201.285 1.892 10 0 BDAERO CCN(CCO)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382251099 349331513 /nfs/dbraw/zinc/33/15/13/349331513.db2.gz VCKSETJRNAXSRJ-YNEHKIRRSA-N 1 0 226.364 1.079 10 0 BDAERO Cn1c2c(nc1C(C)(F)F)CCC[C@@H]2[NH3+] ZINC000725253655 538039207 /nfs/dbraw/zinc/03/92/07/538039207.db2.gz VRWCNXKUBLGBHH-LURJTMIESA-N 1 0 215.247 1.868 10 0 BDAERO NC(=O)N1CCc2ccccc2[C@H]1c1c[nH]cn1 ZINC000616583411 349306390 /nfs/dbraw/zinc/30/63/90/349306390.db2.gz IBLTZVVFGTVGPF-LBPRGKRZSA-N 1 0 242.282 1.436 10 0 BDAERO O[C@@H]1CC2=C(C[C@@H]([NH+]3CCCCC3)C2)C[C@@H]1O ZINC000255984187 349371579 /nfs/dbraw/zinc/37/15/79/349371579.db2.gz KVHNMYBEHDHTDS-BTTYYORXSA-N 1 0 237.343 1.447 10 0 BDAERO Cn1c2c(nc1C(C)(F)F)CCC[C@H]2[NH3+] ZINC000725253662 538040084 /nfs/dbraw/zinc/04/00/84/538040084.db2.gz VRWCNXKUBLGBHH-ZCFIWIBFSA-N 1 0 215.247 1.868 10 0 BDAERO C[C@@H](Nc1ncnc2c1CCC2)[C@H]1CCC[NH2+]C1 ZINC000061277706 349373600 /nfs/dbraw/zinc/37/36/00/349373600.db2.gz CZNBAGBHWIRKCQ-MNOVXSKESA-N 1 0 246.358 1.765 10 0 BDAERO [NH3+]CCC1CCN(c2ncnc3c2CCC3)CC1 ZINC000061278359 349374390 /nfs/dbraw/zinc/37/43/90/349374390.db2.gz HNENYFBXWDEJAY-UHFFFAOYSA-N 1 0 246.358 1.531 10 0 BDAERO COc1cc(Cl)c([C@@H](O)C[NH3+])cc1OC ZINC000216641373 350008062 /nfs/dbraw/zinc/00/80/62/350008062.db2.gz NLLHOEXIWYVDKX-QMMMGPOBSA-N 1 0 231.679 1.349 10 0 BDAERO [NH3+]CCN1CCN(C2CC2)c2ccccc21 ZINC000216789999 350015558 /nfs/dbraw/zinc/01/55/58/350015558.db2.gz JFRNVLXOZOLERP-UHFFFAOYSA-N 1 0 217.316 1.434 10 0 BDAERO CC(C)Oc1cncc(N[C@H]2CC[NH2+]C2)n1 ZINC000070580097 350024841 /nfs/dbraw/zinc/02/48/41/350024841.db2.gz GKPCMEGOEPZFRT-VIFPVBQESA-N 1 0 222.292 1.038 10 0 BDAERO Cc1c(Br)cccc1[C@@H]([NH3+])CO ZINC000072198659 191005051 /nfs/dbraw/zinc/00/50/51/191005051.db2.gz NNPQDKMHHVJPQI-VIFPVBQESA-N 1 0 230.105 1.750 10 0 BDAERO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(O)c(F)c1 ZINC000083368046 191007507 /nfs/dbraw/zinc/00/75/07/191007507.db2.gz GFXDCSPWMOTXLJ-NSHDSACASA-N 1 0 240.278 1.131 10 0 BDAERO CC(=O)N[C@H](C)Cc1ccc(OC2C[NH2+]C2)cc1 ZINC000218084049 350082429 /nfs/dbraw/zinc/08/24/29/350082429.db2.gz NSOBEDKKRDEJDG-SNVBAGLBSA-N 1 0 248.326 1.104 10 0 BDAERO Cc1[nH+]c(C[C@@H](C)c2ccccc2)c(N)n1N ZINC000052838309 179982544 /nfs/dbraw/zinc/98/25/44/179982544.db2.gz MBCAWTZPIHNCKJ-SECBINFHSA-N 1 0 230.315 1.834 10 0 BDAERO Cc1nc(N)sc1S[C@H]1CC[NH2+]C1 ZINC000051784184 180001420 /nfs/dbraw/zinc/00/14/20/180001420.db2.gz ZNGCWYCFWAAOKO-LURJTMIESA-N 1 0 215.347 1.488 10 0 BDAERO Cc1nc(NC(=O)[C@@](C)([NH3+])C2CC2)sc1C ZINC000042573255 180012024 /nfs/dbraw/zinc/01/20/24/180012024.db2.gz PPKNAJZNPYPZQJ-NSHDSACASA-N 1 0 239.344 1.826 10 0 BDAERO C[C@H]1CCC[NH2+][C@H]1C(=O)NCc1ccccc1 ZINC000051791219 350115886 /nfs/dbraw/zinc/11/58/86/350115886.db2.gz JYERGSIPLQNFMS-WCQYABFASA-N 1 0 232.327 1.691 10 0 BDAERO Cc1nc([C@@H]2CCCO2)sc1C(N)=[NH2+] ZINC000082420669 180045713 /nfs/dbraw/zinc/04/57/13/180045713.db2.gz YALZTBRLBSURFE-LURJTMIESA-N 1 0 211.290 1.587 10 0 BDAERO O=C(NC[C@H]1CCCC[NH2+]C1)C1CCC1 ZINC000308820257 538052846 /nfs/dbraw/zinc/05/28/46/538052846.db2.gz JKZCUWCRDYUIKM-JTQLQIEISA-N 1 0 210.321 1.292 10 0 BDAERO CCCC1(CCC)[C@H]([NH3+])CS(=O)(=O)N1CC ZINC000725256518 538057695 /nfs/dbraw/zinc/05/76/95/538057695.db2.gz RRGCTMFDDAJRAO-SNVBAGLBSA-N 1 0 248.392 1.318 10 0 BDAERO Cc1nc2ccccc2n1C[C@H](C)C[NH3+] ZINC000036677788 180103244 /nfs/dbraw/zinc/10/32/44/180103244.db2.gz WKURPJVRQINEER-SECBINFHSA-N 1 0 203.289 1.940 10 0 BDAERO Cc1nc2ccccc2n1C[C@@H](O)C[NH2+]C(C)C ZINC000036950735 180103451 /nfs/dbraw/zinc/10/34/51/180103451.db2.gz BVUXXBJSGNLYNE-LBPRGKRZSA-N 1 0 247.342 1.704 10 0 BDAERO Cc1csc2nc(C)c([C@H](O)C[NH3+])n12 ZINC000021949159 180116832 /nfs/dbraw/zinc/11/68/32/180116832.db2.gz DYWXIVSMMKMUEM-SSDOTTSWSA-N 1 0 211.290 1.005 10 0 BDAERO O=S(=O)(c1ccccc1F)C1CC[NH2+]CC1 ZINC000034163377 350169081 /nfs/dbraw/zinc/16/90/81/350169081.db2.gz WHJAJYWTUZVRSY-UHFFFAOYSA-N 1 0 243.303 1.351 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)C(C)(C)[NH3+])o1 ZINC000040921561 191062607 /nfs/dbraw/zinc/06/26/07/191062607.db2.gz SRUDUYNCPHRWKI-QMMMGPOBSA-N 1 0 210.277 1.503 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2CCCCC[C@@H]2O)n1 ZINC000038037838 180190841 /nfs/dbraw/zinc/19/08/41/180190841.db2.gz GTKIHLJKYWJYBF-STQMWFEESA-N 1 0 235.331 1.568 10 0 BDAERO Cc1nccc(CN[C@H](C)C[NH+]2CCCC2)n1 ZINC000054790840 180192278 /nfs/dbraw/zinc/19/22/78/180192278.db2.gz KQJZOYIQAUOEAH-LLVKDONJSA-N 1 0 234.347 1.359 10 0 BDAERO Cc1nccc(N2CCC[C@H]2C[NH2+]C2CC2)n1 ZINC000054937571 180193538 /nfs/dbraw/zinc/19/35/38/180193538.db2.gz KWAYLLWADQSLGE-LBPRGKRZSA-N 1 0 232.331 1.506 10 0 BDAERO Cc1nccn1-c1ncc(C[NH3+])cc1Cl ZINC000051490879 180230114 /nfs/dbraw/zinc/23/01/14/180230114.db2.gz JXIHATFJAKWRJQ-UHFFFAOYSA-N 1 0 222.679 1.688 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000083530614 350238373 /nfs/dbraw/zinc/23/83/73/350238373.db2.gz WEAYLDHRYCUIFJ-STQMWFEESA-N 1 0 227.348 1.792 10 0 BDAERO O=C(Nc1ccccc1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC000222954113 350256823 /nfs/dbraw/zinc/25/68/23/350256823.db2.gz KZZKTCCZMWKEKG-CYBMUJFWSA-N 1 0 245.282 1.134 10 0 BDAERO Cc1nccn1CCN(C)c1cc[nH+]cc1N ZINC000049330806 180251391 /nfs/dbraw/zinc/25/13/91/180251391.db2.gz DNPHNPCGZCQQFM-UHFFFAOYSA-N 1 0 231.303 1.305 10 0 BDAERO Cc1nccn1CC[NH2+][C@H]1CCCC[C@H]1O ZINC000052015188 180261722 /nfs/dbraw/zinc/26/17/22/180261722.db2.gz FJUMRSWHHPFQIJ-NWDGAFQWSA-N 1 0 223.320 1.085 10 0 BDAERO Cc1nccn1CCOc1ccccc1CC[NH3+] ZINC000049331342 180262372 /nfs/dbraw/zinc/26/23/72/180262372.db2.gz BLBUIVRORAXWOB-UHFFFAOYSA-N 1 0 245.326 1.772 10 0 BDAERO Cc1nccn1[C@@H](C[NH3+])c1ccsc1 ZINC000043124114 180271957 /nfs/dbraw/zinc/27/19/57/180271957.db2.gz VCYSBJBNBIEEEZ-JTQLQIEISA-N 1 0 207.302 1.801 10 0 BDAERO Cc1ncn([C@@H](c2ccncc2)[C@H](C)[NH3+])c1C ZINC000051925705 180288905 /nfs/dbraw/zinc/28/89/05/180288905.db2.gz QZQPXOQPNRXQNF-TVQRCGJNSA-N 1 0 230.315 1.832 10 0 BDAERO Cc1ncn([C@@H](C[NH3+])c2ccncc2)c1C ZINC000051925701 180288932 /nfs/dbraw/zinc/28/89/32/180288932.db2.gz LTNHTNOMKRYQCE-LBPRGKRZSA-N 1 0 216.288 1.443 10 0 BDAERO Nc1c[nH+]ccc1-n1cc(Br)cn1 ZINC000038053953 350300955 /nfs/dbraw/zinc/30/09/55/350300955.db2.gz OXKQBILHLJOCBY-UHFFFAOYSA-N 1 0 239.076 1.612 10 0 BDAERO [NH3+][C@H](CO)c1ccc(Br)cc1F ZINC000038124724 350307038 /nfs/dbraw/zinc/30/70/38/350307038.db2.gz GSJWPPAAQIQVCB-MRVPVSSYSA-N 1 0 234.068 1.580 10 0 BDAERO CON1CCC([NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000324548375 350307049 /nfs/dbraw/zinc/30/70/49/350307049.db2.gz UFNOVFLKUBFXOA-LLVKDONJSA-N 1 0 230.352 1.009 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000324291323 350290613 /nfs/dbraw/zinc/29/06/13/350290613.db2.gz ANFLVCDUTBNVJB-QWRGUYRKSA-N 1 0 229.364 1.941 10 0 BDAERO Cc1ncoc1-c1nc([C@@H]([NH3+])C(C)C)no1 ZINC000083307154 180296452 /nfs/dbraw/zinc/29/64/52/180296452.db2.gz XPMJRBVPQVFYRH-ZETCQYMHSA-N 1 0 222.248 1.689 10 0 BDAERO CCC(C)(C)NC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000725264178 538090637 /nfs/dbraw/zinc/09/06/37/538090637.db2.gz NMSLHFRRLIEISS-UHFFFAOYSA-N 1 0 239.363 1.570 10 0 BDAERO O[C@@H]([C@H]1CCCC[NH2+]1)C(F)(F)Br ZINC000225669073 350369613 /nfs/dbraw/zinc/36/96/13/350369613.db2.gz SBSPOVWJAMOWOZ-RITPCOANSA-N 1 0 244.079 1.477 10 0 BDAERO O[C@H]([C@@H]1CCC[NH2+]1)C(F)(F)Br ZINC000225669173 350370066 /nfs/dbraw/zinc/37/00/66/350370066.db2.gz LMMKTTPGSXKHMV-CRCLSJGQSA-N 1 0 230.052 1.087 10 0 BDAERO Cc1nn(-c2ccnc(C[NH3+])c2)c(C)c1Cl ZINC000051487516 180330397 /nfs/dbraw/zinc/33/03/97/180330397.db2.gz VDZKJPAJPCLWFF-UHFFFAOYSA-N 1 0 236.706 1.996 10 0 BDAERO CCCNC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725263941 538090901 /nfs/dbraw/zinc/09/09/01/538090901.db2.gz CMOLLOYROLEOBX-LLVKDONJSA-N 1 0 239.363 1.699 10 0 BDAERO CC(C)NC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725264237 538090904 /nfs/dbraw/zinc/09/09/04/538090904.db2.gz QUSFRXDPLZMMTG-LLVKDONJSA-N 1 0 239.363 1.698 10 0 BDAERO OC[C@H]1CCC[N@@H+]([C@@H]2CCOC23CCCC3)C1 ZINC000725263865 538090930 /nfs/dbraw/zinc/09/09/30/538090930.db2.gz SSCYZQZWFKQBFM-QWHCGFSZSA-N 1 0 239.359 1.792 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@@H]1C ZINC000105437605 180350995 /nfs/dbraw/zinc/35/09/95/180350995.db2.gz MRNTUYMTCNZIDZ-RCOVLWMOSA-N 1 0 213.712 1.880 10 0 BDAERO Cc1nn(C)c(N(C)Cc2cccnc2)c1C[NH3+] ZINC000036771542 180353647 /nfs/dbraw/zinc/35/36/47/180353647.db2.gz UDEYSFVZNOXBGO-UHFFFAOYSA-N 1 0 245.330 1.219 10 0 BDAERO C[NH+](C)CC(=O)NC(C)(C)c1ccc(N)cc1 ZINC000725264497 538092165 /nfs/dbraw/zinc/09/21/65/538092165.db2.gz RLDAWSVISIPRBR-UHFFFAOYSA-N 1 0 235.331 1.182 10 0 BDAERO CC(C)CNC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000725264470 538092220 /nfs/dbraw/zinc/09/22/20/538092220.db2.gz PNVYXKISNKNRIO-AAEUAGOBSA-N 1 0 239.363 1.698 10 0 BDAERO CCOC1CC([NH2+][C@@H]2CCCN(CC)C2)C1 ZINC000162845296 350443590 /nfs/dbraw/zinc/44/35/90/350443590.db2.gz PSHKDPODQNWGDJ-PNESKVBLSA-N 1 0 226.364 1.628 10 0 BDAERO CCCCC(=O)Nc1nc(CC[NH3+])cs1 ZINC000020267473 168629852 /nfs/dbraw/zinc/62/98/52/168629852.db2.gz VPWRKTFFPCWDMM-UHFFFAOYSA-N 1 0 227.333 1.773 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2cccc(CO)c2)CC1 ZINC000616592573 350468028 /nfs/dbraw/zinc/46/80/28/350468028.db2.gz CEHMPVJOOGRZCX-CYBMUJFWSA-N 1 0 221.300 1.572 10 0 BDAERO [NH3+]Cc1cc(Cc2ccsc2)ncn1 ZINC000409436497 350479778 /nfs/dbraw/zinc/47/97/78/350479778.db2.gz CETHRNYJBBQQRX-UHFFFAOYSA-N 1 0 205.286 1.588 10 0 BDAERO NC(=[NH2+])c1cn(CC2CC2)nc1C(F)(F)F ZINC000409439790 350482119 /nfs/dbraw/zinc/48/21/19/350482119.db2.gz QRJRDERTGCSOML-UHFFFAOYSA-N 1 0 232.209 1.596 10 0 BDAERO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc[nH]1 ZINC000020351343 180382410 /nfs/dbraw/zinc/38/24/10/180382410.db2.gz PAAPBHUCMVSJOC-VIFPVBQESA-N 1 0 218.304 1.907 10 0 BDAERO Cc1nn([C@@H]2CCC[C@H]2O)c(C)c1C[NH3+] ZINC000054599489 180392211 /nfs/dbraw/zinc/39/22/11/180392211.db2.gz QNYOATRKLLWHJO-GHMZBOCLSA-N 1 0 209.293 1.045 10 0 BDAERO Cc1nn(Cc2nc(C3CC3)no2)c(C)c1C[NH3+] ZINC000049344918 180392222 /nfs/dbraw/zinc/39/22/22/180392222.db2.gz AJXYXZLFMFLYIJ-UHFFFAOYSA-N 1 0 247.302 1.267 10 0 BDAERO Cc1nn(CCN2CC[NH2+]CC2)c(C)c1Cl ZINC000050586790 180389582 /nfs/dbraw/zinc/38/95/82/180389582.db2.gz XEDWIXANVGAMAD-UHFFFAOYSA-N 1 0 242.754 1.059 10 0 BDAERO Cc1nn(C[C@@H]2CCCO2)c(C)c1CC[NH3+] ZINC000054740921 180390347 /nfs/dbraw/zinc/39/03/47/180390347.db2.gz UUHRVSYHYHBBGM-NSHDSACASA-N 1 0 223.320 1.180 10 0 BDAERO Cc1nn(C[C@H]2CC[C@@H](C[NH3+])O2)c(C)c1Cl ZINC000052573914 180390788 /nfs/dbraw/zinc/39/07/88/180390788.db2.gz PUZXFQGUUTUYDY-VHSXEESVSA-N 1 0 243.738 1.660 10 0 BDAERO CCc1csc(N2CCC(C[NH3+])CC2)n1 ZINC000061894862 350532582 /nfs/dbraw/zinc/53/25/82/350532582.db2.gz BSYWHSYPGOKYCO-UHFFFAOYSA-N 1 0 225.361 1.881 10 0 BDAERO [NH3+]C[C@@H](O)Cc1cccc(Cl)c1F ZINC000228255790 350535491 /nfs/dbraw/zinc/53/54/91/350535491.db2.gz UHLKOWPQEIPCSH-ZETCQYMHSA-N 1 0 203.644 1.341 10 0 BDAERO Nc1cccc(-c2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000725266171 538095381 /nfs/dbraw/zinc/09/53/81/538095381.db2.gz TZQMBTLFPJQFFB-LBPRGKRZSA-N 1 0 243.314 1.452 10 0 BDAERO C[C@H]([NH3+])CCNc1ncnc2sccc21 ZINC000063171648 350574417 /nfs/dbraw/zinc/57/44/17/350574417.db2.gz QCKWSIPKZIGLHC-ZETCQYMHSA-N 1 0 222.317 1.841 10 0 BDAERO C[C@@H]([NH3+])CCNc1nc2ccccc2o1 ZINC000063171359 350574832 /nfs/dbraw/zinc/57/48/32/350574832.db2.gz QCUHDWUKEFYSMZ-MRVPVSSYSA-N 1 0 205.261 1.977 10 0 BDAERO Cc1nnc(COc2ccccc2[C@@H](C)[NH3+])n1C ZINC000035696522 180415564 /nfs/dbraw/zinc/41/55/64/180415564.db2.gz LAAXUAOZXFFVFQ-SECBINFHSA-N 1 0 246.314 1.722 10 0 BDAERO Cc1nnc(N(C)CCC[NH3+])c2ccccc12 ZINC000035663650 180420687 /nfs/dbraw/zinc/42/06/87/180420687.db2.gz LCQFDRYHLATYNY-UHFFFAOYSA-N 1 0 230.315 1.723 10 0 BDAERO C[C@@H](CC(F)(F)F)N1CC[NH2+][C@@H](C)C1 ZINC000228778208 350558777 /nfs/dbraw/zinc/55/87/77/350558777.db2.gz MRDYQXPXDHMOJL-YUMQZZPRSA-N 1 0 210.243 1.621 10 0 BDAERO CCCC[N@H+](CCO)C[C@@H]1CCCN1C ZINC000386322226 362968048 /nfs/dbraw/zinc/96/80/48/362968048.db2.gz NTNDMCFLTJZMEU-LBPRGKRZSA-N 1 0 214.353 1.175 10 0 BDAERO CCCCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236774 168634871 /nfs/dbraw/zinc/63/48/71/168634871.db2.gz PWMDRQONDSLSHS-WDEREUQCSA-N 1 0 210.321 1.387 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616593391 350580422 /nfs/dbraw/zinc/58/04/22/350580422.db2.gz JMNWLPUGGGQCKR-CYBMUJFWSA-N 1 0 248.326 1.569 10 0 BDAERO CC(=O)Nc1cccc([C@@H]2C[NH2+]CCOC2)c1 ZINC000616593529 350581008 /nfs/dbraw/zinc/58/10/08/350581008.db2.gz KYJQBMOFQVTERJ-GFCCVEGCSA-N 1 0 234.299 1.348 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2cccnc2N)CC1 ZINC000616593888 350585130 /nfs/dbraw/zinc/58/51/30/350585130.db2.gz MTHIDYBIJOJTLB-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO c1ccc2c(c1)cncc2[C@@H]1C[NH2+]CCOC1 ZINC000616594011 350585893 /nfs/dbraw/zinc/58/58/93/350585893.db2.gz MOHHIKOJSXXSCO-GFCCVEGCSA-N 1 0 228.295 1.938 10 0 BDAERO Cc1nnc(S[C@H]2CCCC[C@H]2C[NH3+])o1 ZINC000051038317 180440532 /nfs/dbraw/zinc/44/05/32/180440532.db2.gz JWWJMWKVBJBGJB-IUCAKERBSA-N 1 0 227.333 1.988 10 0 BDAERO CC1CC(C(=O)N[C@@](C)(C[NH3+])C2CC2)C1 ZINC000309493851 350613515 /nfs/dbraw/zinc/61/35/15/350613515.db2.gz SUYUQJZHAGHKOQ-KWPJZBAWSA-N 1 0 210.321 1.276 10 0 BDAERO CNc1cccc([C@H]2CCN(CC[NH3+])CCO2)c1 ZINC000616596263 350632741 /nfs/dbraw/zinc/63/27/41/350632741.db2.gz USWRZXJTSXCBFQ-CQSZACIVSA-N 1 0 249.358 1.450 10 0 BDAERO C[C@@H](O)COCCC[NH2+]Cc1ccccc1 ZINC000235231364 350714517 /nfs/dbraw/zinc/71/45/17/350714517.db2.gz LMIJZAHZLLCXAM-GFCCVEGCSA-N 1 0 223.316 1.564 10 0 BDAERO CC(C)C[NH2+]CC[C@@H](CO)[C@@H]1COC(C)(C)O1 ZINC000725267805 538098828 /nfs/dbraw/zinc/09/88/28/538098828.db2.gz ZLHHXBBPJWMXJC-RYUDHWBXSA-N 1 0 245.363 1.382 10 0 BDAERO C[C@@H](C[N@@H+]1CCSC[C@H]1C)C(N)=S ZINC000251885816 362975248 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Cn1c2ccc([C@H]([NH3+])CC3CC3)cc2n(C)c1=O ZINC000051392361 180611865 /nfs/dbraw/zinc/61/18/65/180611865.db2.gz ITBFOHUMFYBOLX-LLVKDONJSA-N 1 0 245.326 1.677 10 0 BDAERO Cn1cnc(C(=O)[C@@]2(C)CCC[C@@H]2[NH3+])c1 ZINC000307167206 351537016 /nfs/dbraw/zinc/53/70/16/351537016.db2.gz QYJADZJNXHGTFH-ONGXEEELSA-N 1 0 207.277 1.120 10 0 BDAERO C[C@H]([C@H]1CCC[NH2+]1)N1CCSCC1 ZINC000307187943 351590174 /nfs/dbraw/zinc/59/01/74/351590174.db2.gz WSBGCKYJXZLIOP-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO Cn1c2ccc([C@H]([NH3+])[C@H]3CCOC3)cc2oc1=O ZINC000051361873 180612526 /nfs/dbraw/zinc/61/25/26/180612526.db2.gz ZFRKYZJFUCGGIA-CABZTGNLSA-N 1 0 248.282 1.168 10 0 BDAERO CS[C@@H]1CCN(Cc2nnc(N)s2)C1 ZINC000307216260 351616024 /nfs/dbraw/zinc/61/60/24/351616024.db2.gz BQIKJMMBWVGBDU-ZCFIWIBFSA-N 1 0 230.362 1.058 10 0 BDAERO COC(=O)[C@@](C)([NH3+])[C@@H]1CC2CCC1CC2 ZINC000307230532 351680854 /nfs/dbraw/zinc/68/08/54/351680854.db2.gz BCUKCAADHUGDFZ-PTFDWCFRSA-N 1 0 211.305 1.703 10 0 BDAERO Cc1nc(C(=O)C[C@H]2CSCC[NH2+]2)cs1 ZINC000307232730 351687181 /nfs/dbraw/zinc/68/71/81/351687181.db2.gz DPXFUSYZCRFNNL-QMMMGPOBSA-N 1 0 242.369 1.729 10 0 BDAERO C[C@H]1CSC[C@@]1(CN)[N@H+](C)C(C)(C)C ZINC000307236926 351724794 /nfs/dbraw/zinc/72/47/94/351724794.db2.gz OEAUVZOOYJIUJT-GXSJLCMTSA-N 1 0 216.394 1.797 10 0 BDAERO O=C(C[C@@H]1CCCCC[NH2+]1)[C@@H]1CCCO1 ZINC000307240104 351732495 /nfs/dbraw/zinc/73/24/95/351732495.db2.gz HYMGQOQAVZEKTA-JQWIXIFHSA-N 1 0 211.305 1.657 10 0 BDAERO C[C@@H]1C[C@H](NC(=[NH2+])NCc2ccccc2)[C@H](C)O1 ZINC000307238730 351733251 /nfs/dbraw/zinc/73/32/51/351733251.db2.gz HHWYJMZXZFWEEF-MDZLAQPJSA-N 1 0 247.342 1.866 10 0 BDAERO C[C@@H]1CC[C@@]2(C[NH2+]1)NC(C)(C)CS2 ZINC000307240254 351733353 /nfs/dbraw/zinc/73/33/53/351733353.db2.gz GVSAPYQNFPJWHO-PSASIEDQSA-N 1 0 200.351 1.570 10 0 BDAERO CS[C@@H]1CC[N@@H+]([C@@H](C)C(N)=S)C1 ZINC000307244989 351752582 /nfs/dbraw/zinc/75/25/82/351752582.db2.gz LYJAJIQFWXQQPW-NKWVEPMBSA-N 1 0 204.364 1.098 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@H]1CC1CC(F)(F)C1 ZINC000307253238 351780023 /nfs/dbraw/zinc/78/00/23/351780023.db2.gz UWPXDXAOBYFDPE-RKDXNWHRSA-N 1 0 205.248 1.392 10 0 BDAERO Cc1nc(C(=O)[C@@](C)([NH3+])C2CC2)cs1 ZINC000307253013 351783335 /nfs/dbraw/zinc/78/33/35/351783335.db2.gz UHZNBNGBGMECIP-JTQLQIEISA-N 1 0 210.302 1.762 10 0 BDAERO CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000637928507 351805170 /nfs/dbraw/zinc/80/51/70/351805170.db2.gz QNXSYGHOTWFKGE-UTUOFQBUSA-N 1 0 242.363 1.170 10 0 BDAERO C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1cccs1 ZINC000637886542 351756468 /nfs/dbraw/zinc/75/64/68/351756468.db2.gz QZEQNVGWISOBOI-WCBMZHEXSA-N 1 0 236.340 1.973 10 0 BDAERO CC(C)CC[C@H]([NH3+])C(=O)NCC[C@@H]1CCCO1 ZINC000637901140 351770566 /nfs/dbraw/zinc/77/05/66/351770566.db2.gz ASWJCOJTUNPNOV-RYUDHWBXSA-N 1 0 242.363 1.435 10 0 BDAERO Cn1cc(C[C@@H]([NH3+])c2cccc(F)c2)cn1 ZINC000050542338 180653512 /nfs/dbraw/zinc/65/35/12/180653512.db2.gz LUEQYXPVPXPZOU-GFCCVEGCSA-N 1 0 219.263 1.802 10 0 BDAERO Cn1cc(C[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000050542422 180653603 /nfs/dbraw/zinc/65/36/03/180653603.db2.gz IUZAVOIZOPGKBF-ZDUSSCGKSA-N 1 0 215.300 1.533 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638037015 351919078 /nfs/dbraw/zinc/91/90/78/351919078.db2.gz DSBPVCJNNOHWFO-WDEREUQCSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@H]1C[C@@H]([NH2+]CC2(F)CCC2)CN1C ZINC000307304510 351931645 /nfs/dbraw/zinc/93/16/45/351931645.db2.gz CCBHPLFNKFYZJI-VHSXEESVSA-N 1 0 200.301 1.561 10 0 BDAERO C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000307305185 351932032 /nfs/dbraw/zinc/93/20/32/351932032.db2.gz CPNVIZRIIHGXIR-DTWKUNHWSA-N 1 0 216.325 1.898 10 0 BDAERO CC(C)[C@H](CCO)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300415839 187566409 /nfs/dbraw/zinc/56/64/09/187566409.db2.gz YJCJZPZDRXXDAY-WUHRBBMRSA-N 1 0 241.375 1.797 10 0 BDAERO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000335604079 187568806 /nfs/dbraw/zinc/56/88/06/187568806.db2.gz KXLDGUFUCDDPAN-JTQLQIEISA-N 1 0 221.304 1.162 10 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Cc1cc(C)n(Cc2ccc(C[NH3+])cc2)c(=O)n1 ZINC000022172024 187592336 /nfs/dbraw/zinc/59/23/36/187592336.db2.gz NENJGEZARBEXGB-UHFFFAOYSA-N 1 0 243.310 1.367 10 0 BDAERO CCC[C@H](CC)[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC000050165331 187609620 /nfs/dbraw/zinc/60/96/20/187609620.db2.gz XOZCNVOOODHUJH-ZJUUUORDSA-N 1 0 243.351 1.389 10 0 BDAERO COc1ccc(C[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000057951965 187612466 /nfs/dbraw/zinc/61/24/66/187612466.db2.gz FCQWVJKDCONUCW-JTQLQIEISA-N 1 0 221.300 1.856 10 0 BDAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccnc1 ZINC000068697732 187614318 /nfs/dbraw/zinc/61/43/18/187614318.db2.gz AUYWSQRVNGETHK-JSGCOSHPSA-N 1 0 233.359 1.900 10 0 BDAERO Cc1ccc(CC(=O)CN2CC[NH2+]CC2)cc1 ZINC000071536202 187615329 /nfs/dbraw/zinc/61/53/29/187615329.db2.gz RTJWPTPNFKKAND-UHFFFAOYSA-N 1 0 232.327 1.012 10 0 BDAERO Cn1c(CC(F)(F)F)nc2c1CC[C@H]([NH3+])C2 ZINC000076125356 187618129 /nfs/dbraw/zinc/61/81/29/187618129.db2.gz LYQWODIGRXYDGJ-LURJTMIESA-N 1 0 233.237 1.341 10 0 BDAERO COc1ccccc1NC(=O)C[C@H](C)C[NH3+] ZINC000076611148 187618217 /nfs/dbraw/zinc/61/82/17/187618217.db2.gz JVIYAIKKSJGWSY-VIFPVBQESA-N 1 0 222.288 1.619 10 0 BDAERO Nc1ccc(SC[C@@H]2CCC[NH2+]2)nc1 ZINC000043497557 187605591 /nfs/dbraw/zinc/60/55/91/187605591.db2.gz YJDILZQNQVDGBO-VIFPVBQESA-N 1 0 209.318 1.508 10 0 BDAERO N[C@H]1C[NH2+]CC[C@H]1c1c(F)cccc1Cl ZINC000725270050 538102327 /nfs/dbraw/zinc/10/23/27/538102327.db2.gz DMHRTMBADXCUHQ-XCBNKYQSSA-N 1 0 228.698 1.883 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CS1 ZINC000252128136 363130272 /nfs/dbraw/zinc/13/02/72/363130272.db2.gz LRPSOEHPTQAPRL-RCWTZXSCSA-N 1 0 215.362 1.774 10 0 BDAERO CCC[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)OCC ZINC000638457099 352267515 /nfs/dbraw/zinc/26/75/15/352267515.db2.gz JMAHLDWCJKIWHI-WCQYABFASA-N 1 0 242.363 1.450 10 0 BDAERO CCC[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)OCC ZINC000638457098 352267690 /nfs/dbraw/zinc/26/76/90/352267690.db2.gz JMAHLDWCJKIWHI-DGCLKSJQSA-N 1 0 242.363 1.450 10 0 BDAERO COC1CCC(NC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000638445244 352254544 /nfs/dbraw/zinc/25/45/44/352254544.db2.gz NAUONQZSZMUZBP-MCIGGMRASA-N 1 0 242.363 1.434 10 0 BDAERO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCn1cncn1 ZINC000309718428 187654896 /nfs/dbraw/zinc/65/48/96/187654896.db2.gz ZSEMXHAOBBQNFR-GHMZBOCLSA-N 1 0 222.336 1.692 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1CC=CC1 ZINC000638492113 352301906 /nfs/dbraw/zinc/30/19/06/352301906.db2.gz SIVGSMJMJGSAOY-NEPJUHHUSA-N 1 0 222.332 1.444 10 0 BDAERO CC(C)[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CS1 ZINC000336677566 187648723 /nfs/dbraw/zinc/64/87/23/187648723.db2.gz QDTAJPPUQGKAFF-MNOVXSKESA-N 1 0 240.376 1.398 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1CC=CC1 ZINC000638493411 352307236 /nfs/dbraw/zinc/30/72/36/352307236.db2.gz HEQDGUYNBKQZAX-ZYHUDNBSSA-N 1 0 222.332 1.457 10 0 BDAERO CC(C)([NH3+])c1csc(N2CCCC2)n1 ZINC000082688597 187662503 /nfs/dbraw/zinc/66/25/03/187662503.db2.gz WYLGRGGQVDUDNP-UHFFFAOYSA-N 1 0 211.334 1.937 10 0 BDAERO C[C@H]([N@@H+]1CCS[C@@H](C)C1)C(C)(C)O ZINC000307355506 352322661 /nfs/dbraw/zinc/32/26/61/352322661.db2.gz UIXXHJBZKOZJBC-IUCAKERBSA-N 1 0 203.351 1.583 10 0 BDAERO CC(C)Cn1cnnc1[C@@H]1CCC[NH2+]C1 ZINC000054526236 187663072 /nfs/dbraw/zinc/66/30/72/187663072.db2.gz AWTYOBYGJZXPLT-SNVBAGLBSA-N 1 0 208.309 1.401 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638535810 352367486 /nfs/dbraw/zinc/36/74/86/352367486.db2.gz GTYAGWTWPFIZEQ-OUAUKWLOSA-N 1 0 242.388 1.610 10 0 BDAERO C[C@H]1C[NH2+]CC[C@H]1CNC(=O)C1(C)CC1 ZINC000725272024 538103761 /nfs/dbraw/zinc/10/37/61/538103761.db2.gz YEIZOBFPGGBCDT-UWVGGRQHSA-N 1 0 210.321 1.148 10 0 BDAERO COC(=O)[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(F)(F)F ZINC000725271681 538103571 /nfs/dbraw/zinc/10/35/71/538103571.db2.gz RAKRWUVESFDHTM-QYNIQEEDSA-N 1 0 225.210 1.465 10 0 BDAERO C[C@@](F)(c1ccns1)[C@@H]1CC[NH2+]C1 ZINC000307381075 352489104 /nfs/dbraw/zinc/48/91/04/352489104.db2.gz YVCSXUCNOOKXLN-APPZFPTMSA-N 1 0 200.282 1.937 10 0 BDAERO C[C@]1(CNc2nncs2)CCC[NH2+]C1 ZINC000160002697 352550455 /nfs/dbraw/zinc/55/04/55/352550455.db2.gz OVAFFMYSNDIPAI-VIFPVBQESA-N 1 0 212.322 1.340 10 0 BDAERO C/C=C/CNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000638688300 352526529 /nfs/dbraw/zinc/52/65/29/352526529.db2.gz DQBNTYLMKOSGDO-ONEGZZNKSA-N 1 0 240.347 1.085 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[S@@](=O)CC(C)(C)[NH2+]1 ZINC000307418629 352591509 /nfs/dbraw/zinc/59/15/09/352591509.db2.gz GQUKIWMWRXAYFH-MRCNFZFLSA-N 1 0 201.335 1.142 10 0 BDAERO CC1(C)[C@H]([NH3+])C[C@]1(O)C(F)(F)Br ZINC000404858212 352594028 /nfs/dbraw/zinc/59/40/28/352594028.db2.gz SYRVTOGCAAZZHG-INEUFUBQSA-N 1 0 244.079 1.462 10 0 BDAERO C[NH2+]Cc1csc(-n2ccc(C)n2)n1 ZINC000307432243 352595134 /nfs/dbraw/zinc/59/51/34/352595134.db2.gz XXSFZTDYXJALSV-UHFFFAOYSA-N 1 0 208.290 1.357 10 0 BDAERO C[C@H]1CCN([C@@H]2CC[NH2+]C2)CCS1 ZINC000307449068 352602980 /nfs/dbraw/zinc/60/29/80/352602980.db2.gz ZVGIYECHXFTGMI-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1ncccc1Br ZINC000307394574 352568938 /nfs/dbraw/zinc/56/89/38/352568938.db2.gz MOROGEMNCOKJCY-RQJHMYQMSA-N 1 0 244.136 1.992 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1ncccc1Br ZINC000307394567 352569062 /nfs/dbraw/zinc/56/90/62/352569062.db2.gz MOROGEMNCOKJCY-RNFRBKRXSA-N 1 0 244.136 1.992 10 0 BDAERO CC1(C)C[N@@H+]([C@H]2CCC(=O)C2)CC[C@@H]1O ZINC000307404502 352579543 /nfs/dbraw/zinc/57/95/43/352579543.db2.gz KYQIDCWBFWAEHE-ONGXEEELSA-N 1 0 211.305 1.201 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1cn(C)nc1C(C)C ZINC000302431197 352642595 /nfs/dbraw/zinc/64/25/95/352642595.db2.gz SIBJKNJDAXRGCJ-VIFPVBQESA-N 1 0 238.335 1.609 10 0 BDAERO c1c(NCC2CC2)nn2c1C[NH2+]CCC2 ZINC000725273910 538104774 /nfs/dbraw/zinc/10/47/74/538104774.db2.gz SYYLZZHOYMGVPB-UHFFFAOYSA-N 1 0 206.293 1.198 10 0 BDAERO CC(C)N1CC[C@H]([NH3+])[C@H]1c1csnn1 ZINC000307614190 352672872 /nfs/dbraw/zinc/67/28/72/352672872.db2.gz OBSKDQXNMSFRLV-CBAPKCEASA-N 1 0 212.322 1.021 10 0 BDAERO CC[NH2+]C[C@H](COC)OCc1ccccc1 ZINC000232410414 352658939 /nfs/dbraw/zinc/65/89/39/352658939.db2.gz OMFFKHAEQIIEEK-CYBMUJFWSA-N 1 0 223.316 1.828 10 0 BDAERO CC(C)(C)OC(=O)NCC[NH2+]CCC(C)(C)O ZINC000307586239 352661250 /nfs/dbraw/zinc/66/12/50/352661250.db2.gz PELGNYWDPCTIRM-UHFFFAOYSA-N 1 0 246.351 1.262 10 0 BDAERO C[C@@H]1C[C@H](CNC(=O)C(F)(F)F)CC[NH2+]1 ZINC000307599707 352666327 /nfs/dbraw/zinc/66/63/27/352666327.db2.gz RJJGUIMRXYRBQH-RNFRBKRXSA-N 1 0 224.226 1.053 10 0 BDAERO c1ccc(CONC[C@@H]2CCCC[NH2+]2)cc1 ZINC000232450233 352669052 /nfs/dbraw/zinc/66/90/52/352669052.db2.gz OARJWLZNOGUIGJ-ZDUSSCGKSA-N 1 0 220.316 1.850 10 0 BDAERO CC(C)[C@H]([NH3+])c1ncncc1Br ZINC000307521870 352635597 /nfs/dbraw/zinc/63/55/97/352635597.db2.gz WXXRTMPMQBRJGN-ZETCQYMHSA-N 1 0 230.109 1.895 10 0 BDAERO NC(=[NH2+])Nc1cnn(Cc2ccccc2)c1 ZINC000307617027 352675261 /nfs/dbraw/zinc/67/52/61/352675261.db2.gz REASLMJOZDQGSY-UHFFFAOYSA-N 1 0 215.260 1.237 10 0 BDAERO [NH3+]C1(c2ncncc2Br)CCCC1 ZINC000307673433 352751333 /nfs/dbraw/zinc/75/13/33/352751333.db2.gz ZPIZSNIQXXLSPR-UHFFFAOYSA-N 1 0 242.120 1.967 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C[S@@](=O)C2CCCC2)C1 ZINC000307685886 352850814 /nfs/dbraw/zinc/85/08/14/352850814.db2.gz ATZXIXZAEBLCFI-GPCCPHFNSA-N 1 0 215.362 1.805 10 0 BDAERO CC(C)[C@@H]1C[N@H+](CC2(O)CCC2)CCCO1 ZINC000334256834 352867319 /nfs/dbraw/zinc/86/73/19/352867319.db2.gz POLGIVGTCSYVSL-LBPRGKRZSA-N 1 0 227.348 1.648 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC23CC3)C1 ZINC000638805161 352980113 /nfs/dbraw/zinc/98/01/13/352980113.db2.gz FRELGLZPAVSGRS-SDDRHHMPSA-N 1 0 236.359 1.810 10 0 BDAERO CC1(CNc2ncns2)CC[NH2+]CC1 ZINC000160013890 352981539 /nfs/dbraw/zinc/98/15/39/352981539.db2.gz BUPPHMGTJMBWSR-UHFFFAOYSA-N 1 0 212.322 1.340 10 0 BDAERO C[C@]1(C(=O)N[C@@H]2CCCC23CC3)CCCC[NH2+]1 ZINC000638835464 353021204 /nfs/dbraw/zinc/02/12/04/353021204.db2.gz WPSPYHZFRKYUEH-DGCLKSJQSA-N 1 0 236.359 1.968 10 0 BDAERO COC[C@@]1(C(=O)N(C)[C@H](C)C2CC2)CCC[NH2+]1 ZINC000638853899 353025279 /nfs/dbraw/zinc/02/52/79/353025279.db2.gz QYAUQDBYKWPYNK-ZWNOBZJWSA-N 1 0 240.347 1.012 10 0 BDAERO Cn1ncc2c1CCC[C@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038096049 180826482 /nfs/dbraw/zinc/82/64/82/180826482.db2.gz PHLOBOMBIJPFEH-WCQYABFASA-N 1 0 249.358 1.956 10 0 BDAERO [NH3+]C[C@@]1(c2nncs2)CCCS1 ZINC000306330730 353005288 /nfs/dbraw/zinc/00/52/88/353005288.db2.gz BRAXFYBNPSUTNE-SSDOTTSWSA-N 1 0 201.320 1.219 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCCC12CC2 ZINC000638831801 353011908 /nfs/dbraw/zinc/01/19/08/353011908.db2.gz BSIXFSATITWGNB-SRVKXCTJSA-N 1 0 236.359 1.823 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCCC12CC2 ZINC000638831798 353011962 /nfs/dbraw/zinc/01/19/62/353011962.db2.gz BSIXFSATITWGNB-QJPTWQEYSA-N 1 0 236.359 1.823 10 0 BDAERO CC[N@@H+]1CCCN([C@@H]2CCCC2=O)CC1 ZINC000306430583 353013812 /nfs/dbraw/zinc/01/38/12/353013812.db2.gz YZONEANCHHUZAC-LLVKDONJSA-N 1 0 210.321 1.136 10 0 BDAERO Cn1cnc(C(=O)[C@]2(C)CCC[C@@H]2[NH3+])c1 ZINC000307167203 353058635 /nfs/dbraw/zinc/05/86/35/353058635.db2.gz QYJADZJNXHGTFH-GXSJLCMTSA-N 1 0 207.277 1.120 10 0 BDAERO C[C@@]1([C@H]2CCCC[NH2+]2)NCCCS1 ZINC000307427911 353076066 /nfs/dbraw/zinc/07/60/66/353076066.db2.gz SWNNUWFSAIOXKC-NXEZZACHSA-N 1 0 200.351 1.571 10 0 BDAERO Cc1ccc(CC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638887921 353049552 /nfs/dbraw/zinc/04/95/52/353049552.db2.gz WPXIRRAQZFOTAM-JSGCOSHPSA-N 1 0 246.354 1.591 10 0 BDAERO C[C@H](C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000638889092 353051004 /nfs/dbraw/zinc/05/10/04/353051004.db2.gz CTYPRYPAJGBZHS-DYEKYZERSA-N 1 0 246.354 1.843 10 0 BDAERO Cc1cccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638884483 353051280 /nfs/dbraw/zinc/05/12/80/353051280.db2.gz IAOFXAZEYXVUPQ-AAEUAGOBSA-N 1 0 232.327 1.662 10 0 BDAERO COc1ccccc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638886722 353053258 /nfs/dbraw/zinc/05/32/58/353053258.db2.gz RRBUTHPJZFPHJG-QWRGUYRKSA-N 1 0 248.326 1.362 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000638886734 353053274 /nfs/dbraw/zinc/05/32/74/353053274.db2.gz RXVQXYRQHLQLEY-OCCSQVGLSA-N 1 0 246.354 1.970 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000638887125 353054144 /nfs/dbraw/zinc/05/41/44/353054144.db2.gz UAJIPQLSIIGFDV-WPRPVWTQSA-N 1 0 238.356 1.723 10 0 BDAERO Cc1ccc(O)c(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638895811 353056616 /nfs/dbraw/zinc/05/66/16/353056616.db2.gz VDUVAACAQMZOKG-GHMZBOCLSA-N 1 0 248.326 1.367 10 0 BDAERO C[C@@H]1C[C@]2([NH2+]CC[C@H](C)S2)[C@@H](C)O1 ZINC000307719799 353108594 /nfs/dbraw/zinc/10/85/94/353108594.db2.gz NTXSLEMYLAWSTA-UTINFBMNSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@@H]1C[NH+]=C(NCc2cnns2)SC1 ZINC000307716768 353109515 /nfs/dbraw/zinc/10/95/15/353109515.db2.gz LIBIONBAIXYOOC-ZCFIWIBFSA-N 1 0 228.346 1.367 10 0 BDAERO C[C@H]1C[NH+]=C(NCc2cnns2)SC1 ZINC000307716767 353109574 /nfs/dbraw/zinc/10/95/74/353109574.db2.gz LIBIONBAIXYOOC-LURJTMIESA-N 1 0 228.346 1.367 10 0 BDAERO C[C@@H]1CSC[C@@H]1N(C)[C@H]1CC[NH2+]C1 ZINC000307718812 353109580 /nfs/dbraw/zinc/10/95/80/353109580.db2.gz LYJNNWZMBHUSBA-UTLUCORTSA-N 1 0 200.351 1.032 10 0 BDAERO CCCCCN1CCCN(CC[NH3+])C1=O ZINC000077305997 168695044 /nfs/dbraw/zinc/69/50/44/168695044.db2.gz FIZZKQPZWYKKKZ-UHFFFAOYSA-N 1 0 213.325 1.263 10 0 BDAERO C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)C[NH2+]1 ZINC000307738923 353122242 /nfs/dbraw/zinc/12/22/42/353122242.db2.gz XSDOSPKIPAQIKL-RNFRBKRXSA-N 1 0 224.226 1.053 10 0 BDAERO Cc1nc2snc(C[NH3+])c2c(C)c1CO ZINC000536954843 323964150 /nfs/dbraw/zinc/96/41/50/323964150.db2.gz OIHDKZMJRDWUGR-UHFFFAOYSA-N 1 0 223.301 1.259 10 0 BDAERO [NH3+]Cc1sc(CO)nc1C(F)(F)F ZINC000218723098 353143407 /nfs/dbraw/zinc/14/34/07/353143407.db2.gz XZLXUXFAZFBGPF-UHFFFAOYSA-N 1 0 212.196 1.113 10 0 BDAERO C[C@@H]1OCC[C@@]1(C[NH3+])[C@H]1CCSC1 ZINC000405205972 353143427 /nfs/dbraw/zinc/14/34/27/353143427.db2.gz AFRCQNPIDXPQSR-GUBZILKMSA-N 1 0 201.335 1.493 10 0 BDAERO C[NH2+][C@@H]1CSC[C@@H]1[C@H]1CCSC1 ZINC000405254781 353151827 /nfs/dbraw/zinc/15/18/27/353151827.db2.gz KCEGRLZHKGFEHQ-DJLDLDEBSA-N 1 0 203.376 1.691 10 0 BDAERO CC[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000381375733 538109587 /nfs/dbraw/zinc/10/95/87/538109587.db2.gz JRZJQDAVCSZNMT-OUAUKWLOSA-N 1 0 248.392 1.045 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@]12C[C@H]1CCCC2 ZINC000638974652 353180632 /nfs/dbraw/zinc/18/06/32/353180632.db2.gz TWJFEYMVGFZAND-KZVDOYCCSA-N 1 0 236.359 1.810 10 0 BDAERO FC(F)(F)N1CCC[C@@H]1C[NH2+]C1CC1 ZINC000095077003 180886916 /nfs/dbraw/zinc/88/69/16/180886916.db2.gz SOPXHFJZGLGUKX-MRVPVSSYSA-N 1 0 208.227 1.723 10 0 BDAERO C[C@@H](CC1CCC1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000638996145 353239747 /nfs/dbraw/zinc/23/97/47/353239747.db2.gz JUSLKHVVXCDSDQ-ONGXEEELSA-N 1 0 210.321 1.291 10 0 BDAERO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)C1CC1)C2 ZINC000165283158 353280097 /nfs/dbraw/zinc/28/00/97/353280097.db2.gz RQBHOOBQDGFPQT-CMPLNLGQSA-N 1 0 219.332 1.894 10 0 BDAERO Cn1ncnc1S[C@@H]1CCC[C@@H]1C[NH3+] ZINC000127959770 353280147 /nfs/dbraw/zinc/28/01/47/353280147.db2.gz AIJHJLGZRLJISM-HTQZYQBOSA-N 1 0 212.322 1.035 10 0 BDAERO CC(C)[C@H]([NH3+])c1c(Br)nnn1C ZINC000232731896 353285465 /nfs/dbraw/zinc/28/54/65/353285465.db2.gz SVAIWQIWKWCOFJ-YFKPBYRVSA-N 1 0 233.113 1.233 10 0 BDAERO CC(C)N(C)[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000019387323 188280573 /nfs/dbraw/zinc/28/05/73/188280573.db2.gz AOBQCKGKDWQOSD-YPMHNXCESA-N 1 0 220.316 1.788 10 0 BDAERO CC(C)COC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000019816379 188281696 /nfs/dbraw/zinc/28/16/96/188281696.db2.gz ULYACUWTYWLADA-LLVKDONJSA-N 1 0 228.336 1.901 10 0 BDAERO [NH3+]Cc1ccccc1O[C@@H]1CCC[C@H]1O ZINC000037698946 188282111 /nfs/dbraw/zinc/28/21/11/188282111.db2.gz IFKQLANDKDVMAY-ZYHUDNBSSA-N 1 0 207.273 1.438 10 0 BDAERO CC(C)N(C)C(=O)C[NH2+]Cc1ccccc1 ZINC000020038425 188282216 /nfs/dbraw/zinc/28/22/16/188282216.db2.gz FTIJUCMQSZIDCS-UHFFFAOYSA-N 1 0 220.316 1.643 10 0 BDAERO CC(C)COC(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049793 188283060 /nfs/dbraw/zinc/28/30/60/188283060.db2.gz LSPIHYJVJXCRRJ-UWVGGRQHSA-N 1 0 214.309 1.639 10 0 BDAERO Cc1cc(C)c2c(c1)[C@H]([NH3+])CCCS2(=O)=O ZINC000036928886 188285751 /nfs/dbraw/zinc/28/57/51/188285751.db2.gz WOPFKANCMYLENH-LLVKDONJSA-N 1 0 239.340 1.871 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1C(=O)CCC1=O ZINC000036881059 188286212 /nfs/dbraw/zinc/28/62/12/188286212.db2.gz LYJMAROYSYBDMA-MRVPVSSYSA-N 1 0 218.256 1.360 10 0 BDAERO COc1ccc(O[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000037169996 188287582 /nfs/dbraw/zinc/28/75/82/188287582.db2.gz FSXMMOMAHBQJJG-SECBINFHSA-N 1 0 235.205 1.964 10 0 BDAERO CC(=O)CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000037839527 188288372 /nfs/dbraw/zinc/28/83/72/188288372.db2.gz LFLSFZAQMRROTR-UHFFFAOYSA-N 1 0 240.347 1.298 10 0 BDAERO CC(=O)CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037790743 188288494 /nfs/dbraw/zinc/28/84/94/188288494.db2.gz QKXGATFPPDBMGJ-UHFFFAOYSA-N 1 0 240.347 1.345 10 0 BDAERO CN(CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037925168 188289461 /nfs/dbraw/zinc/28/94/61/188289461.db2.gz PINWBWPFJMMBMI-CQSZACIVSA-N 1 0 246.354 1.963 10 0 BDAERO CC(C)([NH3+])CN1CCc2ccccc2C1=O ZINC000045328740 188297341 /nfs/dbraw/zinc/29/73/41/188297341.db2.gz PAEHQTPBPXFPJE-UHFFFAOYSA-N 1 0 218.300 1.422 10 0 BDAERO COc1ccc([C@@H]([NH3+])[C@H]2CCOC2)cc1F ZINC000048623351 188297673 /nfs/dbraw/zinc/29/76/73/188297673.db2.gz DVZSHYPIRRWGNZ-JOYOIKCWSA-N 1 0 225.263 1.871 10 0 BDAERO C[NH2+][C@@H]1CCN(CCc2cccc(C)c2)C1 ZINC000051670326 188299534 /nfs/dbraw/zinc/29/95/34/188299534.db2.gz WWTYDZCJRARFSZ-CQSZACIVSA-N 1 0 218.344 1.831 10 0 BDAERO CC(C)C[C@@H]([NH2+]Cc1ccc[nH]1)C(=O)N(C)C ZINC000051788315 188299797 /nfs/dbraw/zinc/29/97/97/188299797.db2.gz SOSHRZIWYQGMDC-GFCCVEGCSA-N 1 0 237.347 1.607 10 0 BDAERO C(C1CCOCC1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000052174698 188299962 /nfs/dbraw/zinc/29/99/62/188299962.db2.gz HXXHVQNLPHCPOY-KBPBESRZSA-N 1 0 238.375 1.629 10 0 BDAERO CC(C)[N@H+](C)CCn1cnc2cc(N)ccc21 ZINC000054134027 188300046 /nfs/dbraw/zinc/30/00/46/188300046.db2.gz KKAFOSLDBSFKNC-UHFFFAOYSA-N 1 0 232.331 1.959 10 0 BDAERO CC(C)[C@@]1(C)CC(=O)N(C[C@@H](C)C[NH3+])C1=O ZINC000054140505 188300316 /nfs/dbraw/zinc/30/03/16/188300316.db2.gz ATGYQZOQEGWJFZ-JOYOIKCWSA-N 1 0 226.320 1.002 10 0 BDAERO C[NH2+][C@@H]1CCN(Cc2cccc(Cl)c2)C1=O ZINC000053157814 188300366 /nfs/dbraw/zinc/30/03/66/188300366.db2.gz DVIBIJHSEHXQRR-LLVKDONJSA-N 1 0 238.718 1.660 10 0 BDAERO CC[C@H](CC[NH3+])NC(=O)c1ccc(F)cc1F ZINC000054161628 188300480 /nfs/dbraw/zinc/30/04/80/188300480.db2.gz SNKMJOFTQKWBHB-SECBINFHSA-N 1 0 242.269 1.822 10 0 BDAERO COc1ccc([C@H](C)[NH3+])cc1CS(C)(=O)=O ZINC000054930129 188300943 /nfs/dbraw/zinc/30/09/43/188300943.db2.gz XOPFIRYTMONZCW-QMMMGPOBSA-N 1 0 243.328 1.260 10 0 BDAERO CC(C)C[C@H]1C[NH2+]CCN1C[C@@H]1CCCO1 ZINC000062612415 188303576 /nfs/dbraw/zinc/30/35/76/188303576.db2.gz IEAFMRJITLAMCR-STQMWFEESA-N 1 0 226.364 1.485 10 0 BDAERO Cn1ncc(Br)c1[C@H]1CCCC[NH2+]1 ZINC000075869328 188308567 /nfs/dbraw/zinc/30/85/67/188308567.db2.gz DMETYTPYGGQLDC-MRVPVSSYSA-N 1 0 244.136 1.997 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189953172 353335522 /nfs/dbraw/zinc/33/55/22/353335522.db2.gz YLQQFRNIFWCJDN-SCZZXKLOSA-N 1 0 208.309 1.531 10 0 BDAERO CC(C)[C@H](C[NH3+])CC(=O)NCc1ccco1 ZINC000076611745 188309243 /nfs/dbraw/zinc/30/92/43/188309243.db2.gz OUXNZTXKQFNZGZ-JTQLQIEISA-N 1 0 224.304 1.517 10 0 BDAERO CC(C)[C@H](CC[NH3+])C(=O)NCc1ccncc1 ZINC000076618083 188309383 /nfs/dbraw/zinc/30/93/83/188309383.db2.gz WIVUWOGSJJZFRX-LBPRGKRZSA-N 1 0 235.331 1.319 10 0 BDAERO Cc1cc(C)cc(C(=O)CN2CC[NH2+]CC2)c1 ZINC000082546686 188313303 /nfs/dbraw/zinc/31/33/03/188313303.db2.gz ZHNBCHBXZRSYFU-UHFFFAOYSA-N 1 0 232.327 1.391 10 0 BDAERO CSc1nccc(OC[C@H]2CC[NH2+]C2)n1 ZINC000095071874 188318871 /nfs/dbraw/zinc/31/88/71/188318871.db2.gz GYIKEYKNCLMWNN-QMMMGPOBSA-N 1 0 225.317 1.187 10 0 BDAERO CC(C)C[C@@H](C[NH3+])NC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000132745289 188319039 /nfs/dbraw/zinc/31/90/39/188319039.db2.gz QTUJBBYKQZHHMA-ACJTYDJDSA-N 1 0 238.375 1.912 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC000091305068 188319180 /nfs/dbraw/zinc/31/91/80/188319180.db2.gz FZURJTVFRKRXMA-GZMMTYOYSA-N 1 0 212.293 1.345 10 0 BDAERO CSc1nccc(N(C)[C@H]2CCC[NH2+]C2)n1 ZINC000095071830 188319439 /nfs/dbraw/zinc/31/94/39/188319439.db2.gz FDLKJUKGPZHWRA-VIFPVBQESA-N 1 0 238.360 1.387 10 0 BDAERO OCc1ccccc1N[C@@H]1CCC[NH2+]C1 ZINC000043326869 188324990 /nfs/dbraw/zinc/32/49/90/188324990.db2.gz QFBBDBKGHZYEDR-LLVKDONJSA-N 1 0 206.289 1.343 10 0 BDAERO CC1(C)C[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000045135469 188325725 /nfs/dbraw/zinc/32/57/25/188325725.db2.gz BSPYBPNSTJFRAE-SECBINFHSA-N 1 0 210.321 1.420 10 0 BDAERO Cc1ccc(F)c(N2CC[C@H]([NH3+])C2=O)c1 ZINC000049647971 188327337 /nfs/dbraw/zinc/32/73/37/188327337.db2.gz QDHXVYVSQSGPPA-VIFPVBQESA-N 1 0 208.236 1.198 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000300859063 188336020 /nfs/dbraw/zinc/33/60/20/188336020.db2.gz IQKTVBQRWXGXIU-NWDGAFQWSA-N 1 0 215.337 1.240 10 0 BDAERO c1cnn(C[C@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)c1 ZINC000171746560 188338967 /nfs/dbraw/zinc/33/89/67/188338967.db2.gz CBIXGLABHAPBDU-UONOGXRCSA-N 1 0 247.342 1.693 10 0 BDAERO Cc1ccc2c(c1)C[C@@]1(C[NH+]=CN1)CC2 ZINC000013606266 188343438 /nfs/dbraw/zinc/34/34/38/188343438.db2.gz NRGOCGDSGZTYDK-CYBMUJFWSA-N 1 0 200.285 1.854 10 0 BDAERO c1cnn(CC2CC[NH+](Cc3cnc[nH]3)CC2)c1 ZINC000179531799 188343702 /nfs/dbraw/zinc/34/37/02/188343702.db2.gz MRURROSMQXHLKK-UHFFFAOYSA-N 1 0 245.330 1.518 10 0 BDAERO C1=[NH+]C[C@@H](C[C@@H]2COc3ccccc3O2)N1 ZINC000013862098 188344236 /nfs/dbraw/zinc/34/42/36/188344236.db2.gz XASXBQFKHVVYHY-NXEZZACHSA-N 1 0 218.256 1.217 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](CC)[C@H]1CCOC1 ZINC000310551432 188349271 /nfs/dbraw/zinc/34/92/71/188349271.db2.gz URLIXNXTVUKGPB-QWHCGFSZSA-N 1 0 245.363 1.275 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH3+])[C@@H]21 ZINC000082372482 188350612 /nfs/dbraw/zinc/35/06/12/188350612.db2.gz VACFVWQUAZOQDH-IWSPIJDZSA-N 1 0 212.293 1.343 10 0 BDAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1cscn1 ZINC000082383018 188351554 /nfs/dbraw/zinc/35/15/54/188351554.db2.gz VBKQKSRZDAGWQX-APPZFPTMSA-N 1 0 200.307 1.550 10 0 BDAERO C[N@@H+]1CCC[C@@H](CNc2cccnc2)C1 ZINC000054239500 188354765 /nfs/dbraw/zinc/35/47/65/188354765.db2.gz BFGKRRCTJDKPPZ-NSHDSACASA-N 1 0 205.305 1.835 10 0 BDAERO CC(C)Cn1cnnc1[C@@H]([NH3+])C(C)(C)C ZINC000054526281 188354889 /nfs/dbraw/zinc/35/48/89/188354889.db2.gz WVLNPMWKOQWROI-SECBINFHSA-N 1 0 210.325 1.980 10 0 BDAERO NCC(=O)c1coc(Br)c1 ZINC000083284614 188355298 /nfs/dbraw/zinc/35/52/98/188355298.db2.gz XFZSEJUGGHUDQR-UHFFFAOYSA-N 1 0 204.023 1.184 10 0 BDAERO CC(C)N(C(N)=O)c1ccc(C[NH3+])cc1 ZINC000034655151 188359291 /nfs/dbraw/zinc/35/92/91/188359291.db2.gz URKLTQUGJYMWFD-UHFFFAOYSA-N 1 0 207.277 1.439 10 0 BDAERO CC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC000034237845 188359734 /nfs/dbraw/zinc/35/97/34/188359734.db2.gz AIKZEWKUSIOKPF-UHFFFAOYSA-N 1 0 206.289 1.881 10 0 BDAERO CC(C)C[C@@H](C[NH3+])N1CCCO[C@@H](C)C1 ZINC000061916107 188360280 /nfs/dbraw/zinc/36/02/80/188360280.db2.gz GHFAOCHTHSKLGR-RYUDHWBXSA-N 1 0 214.353 1.471 10 0 BDAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1CC(F)(F)F ZINC000062611446 188360574 /nfs/dbraw/zinc/36/05/74/188360574.db2.gz OIQNOGWLWRNHGZ-BDAKNGLRSA-N 1 0 224.270 1.867 10 0 BDAERO Fc1cc(F)cc(CC[NH2+]C2COC2)c1 ZINC000082488651 180953269 /nfs/dbraw/zinc/95/32/69/180953269.db2.gz GRFQNIRYOLKYBM-UHFFFAOYSA-N 1 0 213.227 1.496 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000035055920 353434077 /nfs/dbraw/zinc/43/40/77/353434077.db2.gz XWJZWPDPJHHBQU-BXKDBHETSA-N 1 0 244.294 1.410 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2cocn2)C1 ZINC000380341774 538117774 /nfs/dbraw/zinc/11/77/74/538117774.db2.gz RUTHWXLDVYKTJL-MWLCHTKSSA-N 1 0 209.293 1.104 10 0 BDAERO CN(C)c1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245973 188399702 /nfs/dbraw/zinc/39/97/02/188399702.db2.gz JUJPMXMTJMMMBC-NSHDSACASA-N 1 0 247.342 1.173 10 0 BDAERO Cc1nsc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000165733450 353586725 /nfs/dbraw/zinc/58/67/25/353586725.db2.gz VZFORALRDKKURT-RITPCOANSA-N 1 0 200.311 1.384 10 0 BDAERO Fc1cccc2c(CN3CC[NH2+]CC3)c[nH]c21 ZINC000071487537 181004268 /nfs/dbraw/zinc/00/42/68/181004268.db2.gz VCSLFXAQHYEDMD-UHFFFAOYSA-N 1 0 233.290 1.712 10 0 BDAERO Fc1cccc2c1C[C@H](C[C@@H]1C[NH+]=CN1)C2 ZINC000013862117 181006904 /nfs/dbraw/zinc/00/69/04/181006904.db2.gz LQJGPTUEUKGVLC-GXSJLCMTSA-N 1 0 218.275 1.931 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000252439064 363249173 /nfs/dbraw/zinc/24/91/73/363249173.db2.gz KFEJYZSMDDKCLZ-IWSPIJDZSA-N 1 0 216.350 1.160 10 0 BDAERO Cc1cnc(N[C@@H](C)C[NH3+])c(Br)c1 ZINC000097845548 353753507 /nfs/dbraw/zinc/75/35/07/353753507.db2.gz NJHURVNKRUBCNW-ZETCQYMHSA-N 1 0 244.136 1.912 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2ncnn2C)C[C@H](C)O1 ZINC000639137093 353841272 /nfs/dbraw/zinc/84/12/72/353841272.db2.gz YRVMYVRLJUPFAP-UWVGGRQHSA-N 1 0 238.335 1.108 10 0 BDAERO CC(C)C[S@](=O)[C@@H]1CC[C@H]([NH3+])[C@@H]1C ZINC000252467841 363284346 /nfs/dbraw/zinc/28/43/46/363284346.db2.gz CFRNMRANEVHHTR-XHSYRHOGSA-N 1 0 203.351 1.517 10 0 BDAERO O=C1NCC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000309584164 491057212 /nfs/dbraw/zinc/05/72/12/491057212.db2.gz RNBPBNOLAWBPSU-VHSXEESVSA-N 1 0 236.340 1.604 10 0 BDAERO COC(C)(C)[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000301029257 363344261 /nfs/dbraw/zinc/34/42/61/363344261.db2.gz UCSZHXHGPPJPCS-VHSXEESVSA-N 1 0 200.326 1.223 10 0 BDAERO CC(C)c1nnc(CSCC[NH+](C)C)n1C ZINC000179163439 366215180 /nfs/dbraw/zinc/21/51/80/366215180.db2.gz UWUXXZFXIOZNNS-UHFFFAOYSA-N 1 0 242.392 1.733 10 0 BDAERO Cc1cnccc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000334733663 354533981 /nfs/dbraw/zinc/53/39/81/354533981.db2.gz SUIHNEOEJBMTRB-ZWNOBZJWSA-N 1 0 220.316 1.593 10 0 BDAERO C[C@@H]1[C@@H](NC(=[NH2+])NCc2ccccc2)CO[C@H]1C ZINC000405675686 354645625 /nfs/dbraw/zinc/64/56/25/354645625.db2.gz RXWYNLCTWGOSPJ-GVXVVHGQSA-N 1 0 247.342 1.724 10 0 BDAERO CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000413030503 191352270 /nfs/dbraw/zinc/35/22/70/191352270.db2.gz HIIGNURRZOPMKE-UWVGGRQHSA-N 1 0 213.325 1.178 10 0 BDAERO COC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000352014281 134035843 /nfs/dbraw/zinc/03/58/43/134035843.db2.gz MPDHTMPOAZXPBT-NWDGAFQWSA-N 1 0 243.347 1.278 10 0 BDAERO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)[C@H]1C[C@H]1C ZINC000414106414 191433526 /nfs/dbraw/zinc/43/35/26/191433526.db2.gz QVMLFZQJFLOEPF-HXFLIBJXSA-N 1 0 225.254 1.934 10 0 BDAERO C[NH2+][C@@H]1CO[C@H](C)[C@@H]1[C@@H]1CCSC1 ZINC000405824017 355320657 /nfs/dbraw/zinc/32/06/57/355320657.db2.gz PIGFNCYAOQAGNE-ZYUZMQFOSA-N 1 0 201.335 1.362 10 0 BDAERO N[NH+]=C(N)Cc1ccc(Br)cc1F ZINC000075932073 181185489 /nfs/dbraw/zinc/18/54/89/181185489.db2.gz WDCDQMAWXPDQIH-UHFFFAOYSA-N 1 0 246.083 1.571 10 0 BDAERO NC(=[NH2+])COc1ccc(Cl)cc1F ZINC000075881297 181187050 /nfs/dbraw/zinc/18/70/50/181187050.db2.gz OYSIDTADMFZOIA-UHFFFAOYSA-N 1 0 202.616 1.794 10 0 BDAERO O=C(N[C@@H]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000084067360 355279555 /nfs/dbraw/zinc/27/95/55/355279555.db2.gz FDPLFLBXFAJNTD-WDEREUQCSA-N 1 0 208.305 1.211 10 0 BDAERO NC(=[NH2+])CCCSc1nncs1 ZINC000019863712 181186432 /nfs/dbraw/zinc/18/64/32/181186432.db2.gz SOICLUZRPVCXBN-UHFFFAOYSA-N 1 0 202.308 1.346 10 0 BDAERO NC(=[NH2+])c1cc(F)ccc1CO[C@H]1CCOC1 ZINC000104117426 181194186 /nfs/dbraw/zinc/19/41/86/181194186.db2.gz ZBVVVUIROAJFGA-JTQLQIEISA-N 1 0 238.262 1.415 10 0 BDAERO NC(=[NH2+])c1c(F)cccc1-n1ccnc1 ZINC000062565983 181192429 /nfs/dbraw/zinc/19/24/29/181192429.db2.gz QLBHQYVOMMJTNS-UHFFFAOYSA-N 1 0 204.208 1.295 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cnn1C ZINC000414517277 191526664 /nfs/dbraw/zinc/52/66/64/191526664.db2.gz QLIXXRNGROYCRS-USWWRNFRSA-N 1 0 237.347 1.632 10 0 BDAERO CC[C@@H]1CS[C@]2(CCCN(C)C2)[NH2+]1 ZINC000134357933 355501927 /nfs/dbraw/zinc/50/19/27/355501927.db2.gz OXMURLAQNKIQIL-ZJUUUORDSA-N 1 0 200.351 1.523 10 0 BDAERO NC(=[NH2+])c1ccc(OCCCn2ccnc2)cc1 ZINC000049328304 181195010 /nfs/dbraw/zinc/19/50/10/181195010.db2.gz NAYAWAFQUHYNTH-UHFFFAOYSA-N 1 0 244.298 1.636 10 0 BDAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCCCCCC2)C1 ZINC000040631137 358496853 /nfs/dbraw/zinc/49/68/53/358496853.db2.gz ATFUBDKBXGYUQN-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO Cn1cccc1C(=O)CN1C[C@H]2CCC[C@@H]21 ZINC000335815955 355505071 /nfs/dbraw/zinc/50/50/71/355505071.db2.gz LUARNEQMIVPZQG-MNOVXSKESA-N 1 0 218.300 1.692 10 0 BDAERO NNC(=[NH2+])c1ccc(Cl)c(Cl)c1 ZINC000042375170 181198787 /nfs/dbraw/zinc/19/87/87/181198787.db2.gz SBTQMGGODASKEX-UHFFFAOYSA-N 1 0 204.060 1.782 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335830024 355556343 /nfs/dbraw/zinc/55/63/43/355556343.db2.gz HZLLMVJSDYBCJM-NWDGAFQWSA-N 1 0 236.363 1.633 10 0 BDAERO NC(=[NH2+])c1ccnc(Sc2ncccn2)c1 ZINC000019870332 181197707 /nfs/dbraw/zinc/19/77/07/181197707.db2.gz XSVIGRPEMZBRPC-UHFFFAOYSA-N 1 0 231.284 1.307 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000389117271 355693661 /nfs/dbraw/zinc/69/36/61/355693661.db2.gz BLRVBKSXYXYJDO-ZYHUDNBSSA-N 1 0 236.363 1.473 10 0 BDAERO [NH2+]=C(c1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC000062995595 181206692 /nfs/dbraw/zinc/20/66/92/181206692.db2.gz NHJDIVXDLLRHPW-UHFFFAOYSA-N 1 0 244.216 1.761 10 0 BDAERO CCONC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000166542886 355683023 /nfs/dbraw/zinc/68/30/23/355683023.db2.gz UQOFTJGWQXMQFI-UHFFFAOYSA-N 1 0 241.335 1.208 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC000398761842 355756926 /nfs/dbraw/zinc/75/69/26/355756926.db2.gz CHUINDQKJLKNBU-MGPQQGTHSA-N 1 0 232.327 1.674 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]Cc2cccs2)CN1C ZINC000129682072 355867595 /nfs/dbraw/zinc/86/75/95/355867595.db2.gz ITWANVIRMGPACJ-NXEZZACHSA-N 1 0 210.346 1.930 10 0 BDAERO Cc1nn(C)cc1-c1ccc(C[NH3+])c(F)c1 ZINC000085017759 355915391 /nfs/dbraw/zinc/91/53/91/355915391.db2.gz UERVTTYDFOJAAD-UHFFFAOYSA-N 1 0 219.263 1.993 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2ccc(COC)o2)C1 ZINC000389283980 355946341 /nfs/dbraw/zinc/94/63/41/355946341.db2.gz VLEYCYMVCRUWMA-NSHDSACASA-N 1 0 238.331 1.610 10 0 BDAERO NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025308600 181222322 /nfs/dbraw/zinc/22/23/22/181222322.db2.gz FVBLGAXYZIVZNP-GFCCVEGCSA-N 1 0 236.290 1.838 10 0 BDAERO NC(=O)CCC[NH2+]Cc1nc2ccccc2s1 ZINC000038090440 181223290 /nfs/dbraw/zinc/22/32/90/181223290.db2.gz KZFLVRKFEUPIQJ-UHFFFAOYSA-N 1 0 249.339 1.651 10 0 BDAERO NC(=O)CNCc1nc(-c2ccccc2)cs1 ZINC000061680695 181235491 /nfs/dbraw/zinc/23/54/91/181235491.db2.gz QQLIUHKLRCSWGO-UHFFFAOYSA-N 1 0 247.323 1.385 10 0 BDAERO NC(=O)C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037184007 181236996 /nfs/dbraw/zinc/23/69/96/181236996.db2.gz ZMTPNHFHYJSCOZ-SNVBAGLBSA-N 1 0 222.313 1.049 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000020577942 181241784 /nfs/dbraw/zinc/24/17/84/181241784.db2.gz SYNOOSBGPIGXEL-MRVPVSSYSA-N 1 0 233.098 1.869 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000020578109 181245195 /nfs/dbraw/zinc/24/51/95/181245195.db2.gz PTBLACJHIAPITB-QMMMGPOBSA-N 1 0 248.204 1.460 10 0 BDAERO NC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000108052448 181251907 /nfs/dbraw/zinc/25/19/07/181251907.db2.gz XNXLCXRWICZMRN-LBPRGKRZSA-N 1 0 233.315 1.319 10 0 BDAERO C[C@@]1(CNc2ncnc3[nH]ccc32)CCC[NH2+]C1 ZINC000420232442 192181127 /nfs/dbraw/zinc/18/11/27/192181127.db2.gz UKPFYZHUZZADFC-CYBMUJFWSA-N 1 0 245.330 1.181 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2ncnc3[nH]ccc32)C1 ZINC000420269958 192194948 /nfs/dbraw/zinc/19/49/48/192194948.db2.gz JDMMGBYLEPVWLH-IUCAKERBSA-N 1 0 231.303 1.497 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000037870463 181265156 /nfs/dbraw/zinc/26/51/56/181265156.db2.gz DDPDRZOYDDFSBZ-JTQLQIEISA-N 1 0 224.691 1.618 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CC1)c1ccc(F)cc1 ZINC000037856188 181265280 /nfs/dbraw/zinc/26/52/80/181265280.db2.gz KDIBFTLCGBBFSR-JTQLQIEISA-N 1 0 208.236 1.104 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](CC)CC1CC1 ZINC000193250856 356311603 /nfs/dbraw/zinc/31/16/03/356311603.db2.gz DUTSLJXHQZVXGT-ZDUSSCGKSA-N 1 0 229.364 1.896 10 0 BDAERO CC(C)N(C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000190677623 356449289 /nfs/dbraw/zinc/44/92/89/356449289.db2.gz FEAGQXWCYNQHJF-JTQLQIEISA-N 1 0 213.325 1.083 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCC1)[C@H]1CC=CCC1 ZINC000037968985 181278649 /nfs/dbraw/zinc/27/86/49/181278649.db2.gz MBJRCAZVXLPKMR-CMPLNLGQSA-N 1 0 222.332 1.729 10 0 BDAERO C[C@@H]1CSCCN1C[C@@](C)([NH3+])C1CC1 ZINC000226403118 356478166 /nfs/dbraw/zinc/47/81/66/356478166.db2.gz MKEYHTRYGHWONL-MWLCHTKSSA-N 1 0 214.378 1.551 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CC1)c1cccc(Cl)c1 ZINC000037870472 181277744 /nfs/dbraw/zinc/27/77/44/181277744.db2.gz RDWSNFVHFDHLJA-SNVBAGLBSA-N 1 0 224.691 1.618 10 0 BDAERO NC(=O)[C@]1([NH2+]C2CCCC2)CCCSC1 ZINC000061590454 181284423 /nfs/dbraw/zinc/28/44/23/181284423.db2.gz CIDKOAFPOPZHGT-NSHDSACASA-N 1 0 228.361 1.270 10 0 BDAERO CC(C)[C@@](C)(CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000336767281 535311807 /nfs/dbraw/zinc/31/18/07/535311807.db2.gz SVHHBEPKXAFVEG-ZYHUDNBSSA-N 1 0 217.353 1.390 10 0 BDAERO Cc1c(C[N@H+]2C[C@H](O)CC[C@@H]2C)cnn1C ZINC000421021212 192305586 /nfs/dbraw/zinc/30/55/86/192305586.db2.gz PIYXVWRHNOUHSJ-JOYOIKCWSA-N 1 0 223.320 1.074 10 0 BDAERO COC[C@H](C)C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000163316146 538458602 /nfs/dbraw/zinc/45/86/02/538458602.db2.gz YBHYGGGLRIWPRA-VWYCJHECSA-N 1 0 201.310 1.162 10 0 BDAERO CN1CC[C@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000083288117 538466362 /nfs/dbraw/zinc/46/63/62/538466362.db2.gz OLZBJSJPWLDTHY-RYUDHWBXSA-N 1 0 208.280 1.920 10 0 BDAERO CC(C)c1noc([C@@H]2OCC[C@H]2C[NH3+])n1 ZINC000675058365 538481264 /nfs/dbraw/zinc/48/12/64/538481264.db2.gz BRPQOKSEDZIZSU-JGVFFNPUSA-N 1 0 211.265 1.229 10 0 BDAERO COc1cccc([C@H]2CC[C@H](C[NH3+])OC2)c1 ZINC000675058571 538482202 /nfs/dbraw/zinc/48/22/02/538482202.db2.gz MGBBNRMBZQDMGE-WCQYABFASA-N 1 0 221.300 1.917 10 0 BDAERO CCCc1noc([C@H]2OCC[C@H]2C[NH3+])n1 ZINC000675058662 538482452 /nfs/dbraw/zinc/48/24/52/538482452.db2.gz RFPLSVGWWBXKIZ-CBAPKCEASA-N 1 0 211.265 1.058 10 0 BDAERO [NH3+]C[C@H]1CC(=O)N(C2CC2)[C@@H]1c1ccncc1 ZINC000675058798 538482872 /nfs/dbraw/zinc/48/28/72/538482872.db2.gz XZKKWURXJMRTPL-ZWNOBZJWSA-N 1 0 231.299 1.092 10 0 BDAERO CC1(C)CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000675051354 538474492 /nfs/dbraw/zinc/47/44/92/538474492.db2.gz HMYSXBIKPKSIQM-SNVBAGLBSA-N 1 0 208.309 1.878 10 0 BDAERO CC1(C)CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000675051353 538474550 /nfs/dbraw/zinc/47/45/50/538474550.db2.gz HMYSXBIKPKSIQM-JTQLQIEISA-N 1 0 208.309 1.878 10 0 BDAERO CC(C)CNC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675055863 538476954 /nfs/dbraw/zinc/47/69/54/538476954.db2.gz AFPXFRVPLAOHQK-DGCLKSJQSA-N 1 0 239.363 1.555 10 0 BDAERO C[C@@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)(C)C ZINC000675056732 538478883 /nfs/dbraw/zinc/47/88/83/538478883.db2.gz OULBLMLUGJPZHM-SDDRHHMPSA-N 1 0 238.375 1.879 10 0 BDAERO CC(C)[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675068538 538496842 /nfs/dbraw/zinc/49/68/42/538496842.db2.gz BKONLXLOZPYGCG-FPYNETTCSA-N 1 0 238.375 1.768 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])c1nc(C(F)F)n[nH]1 ZINC000675061010 538487027 /nfs/dbraw/zinc/48/70/27/538487027.db2.gz VIKGZPQYZZFVSZ-UHNVWZDZSA-N 1 0 204.224 1.788 10 0 BDAERO CC(C)CC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675069929 538498973 /nfs/dbraw/zinc/49/89/73/538498973.db2.gz JTLFTJTVYUVHLI-FIQHERPVSA-N 1 0 224.348 1.522 10 0 BDAERO CC(C)CC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675069870 538498999 /nfs/dbraw/zinc/49/89/99/538498999.db2.gz IZRPCCHUYRCNMU-WISYIIOYSA-N 1 0 224.348 1.522 10 0 BDAERO C[C@H]([NH3+])c1ccc(-c2c(N)cnn2C)cc1 ZINC000675069861 538499291 /nfs/dbraw/zinc/49/92/91/538499291.db2.gz IWBFVQDTQQVZSN-QMMMGPOBSA-N 1 0 216.288 1.689 10 0 BDAERO COc1cc2nc(OC)c(C[NH3+])cc2c(OC)c1 ZINC000675070518 538502132 /nfs/dbraw/zinc/50/21/32/538502132.db2.gz ZSFVUIDCYMNGCU-UHFFFAOYSA-N 1 0 248.282 1.719 10 0 BDAERO Nc1cc[nH+]cc1-c1cnn2c1NCCC2 ZINC000675072294 538502588 /nfs/dbraw/zinc/50/25/88/538502588.db2.gz CHWOAKBHKAAUSF-UHFFFAOYSA-N 1 0 215.260 1.173 10 0 BDAERO CCC[C@@H](C)C(=O)Nc1nc(C[NH3+])cs1 ZINC000675072266 538502797 /nfs/dbraw/zinc/50/27/97/538502797.db2.gz AWCKXCPZZCVLQT-SSDOTTSWSA-N 1 0 227.333 1.977 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000675074972 538508025 /nfs/dbraw/zinc/50/80/25/538508025.db2.gz DVZLMNXSHDIIQC-HBNTYKKESA-N 1 0 227.352 1.458 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]2C[C@H](NC(=O)CC3CC3)[C@H]2C1 ZINC000675068977 538497782 /nfs/dbraw/zinc/49/77/82/538497782.db2.gz FSAZUHGSQFEXGY-WYUUTHIRSA-N 1 0 222.332 1.276 10 0 BDAERO CSc1ccc(C2=C[C@@H](O)C[NH2+]C2)cc1 ZINC000675076382 538511127 /nfs/dbraw/zinc/51/11/27/538511127.db2.gz CDUWTTHDDOFATJ-LLVKDONJSA-N 1 0 221.325 1.756 10 0 BDAERO COc1ccc2cc(C[NH3+])c(OC)nc2c1OC ZINC000675069537 538498297 /nfs/dbraw/zinc/49/82/97/538498297.db2.gz ICJAXYXAWCGOBU-UHFFFAOYSA-N 1 0 248.282 1.719 10 0 BDAERO C[NH2+][C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000675069262 538498563 /nfs/dbraw/zinc/49/85/63/538498563.db2.gz DOHCUVCZLBELGV-LLVKDONJSA-N 1 0 234.299 1.016 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(Br)c(F)c1 ZINC000083557838 538513455 /nfs/dbraw/zinc/51/34/55/538513455.db2.gz RTEMMHPQHDXPNP-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO Cc1ccc(F)c(C2=C[C@H](O)C[NH2+]C2)c1 ZINC000675077696 538513633 /nfs/dbraw/zinc/51/36/33/538513633.db2.gz QTEKTGAWYYBWLG-JTQLQIEISA-N 1 0 207.248 1.482 10 0 BDAERO [NH3+][C@H]1C=C(c2cc(F)cc(F)c2)CNC1 ZINC000675077530 538513932 /nfs/dbraw/zinc/51/39/32/538513932.db2.gz FZRWAPRTBALPOE-NSHDSACASA-N 1 0 210.227 1.279 10 0 BDAERO Cc1cc(F)ccc1C1=C[C@H](O)C[NH2+]C1 ZINC000675077550 538514370 /nfs/dbraw/zinc/51/43/70/538514370.db2.gz ODAMTYISKYTVKL-NSHDSACASA-N 1 0 207.248 1.482 10 0 BDAERO COCc1cc(C2=C[C@@H](O)C[NH2+]C2)cs1 ZINC000675078037 538514922 /nfs/dbraw/zinc/51/49/22/538514922.db2.gz VAENYWWQNOGEQK-SNVBAGLBSA-N 1 0 225.313 1.242 10 0 BDAERO Cc1ccc(C2=C[C@H](N)C[NH2+]C2)cc1C ZINC000675078012 538515024 /nfs/dbraw/zinc/51/50/24/538515024.db2.gz LXAQDIDSEHGVPB-ZDUSSCGKSA-N 1 0 202.301 1.617 10 0 BDAERO CC1(CC2=C[C@@H](O)C[NH2+]C2)CCOCC1 ZINC000675078050 538515044 /nfs/dbraw/zinc/51/50/44/538515044.db2.gz VDWBNAJHLNQARH-LLVKDONJSA-N 1 0 211.305 1.084 10 0 BDAERO [NH3+][C@@H]1C=C(c2sccc2Cl)CNC1 ZINC000675078014 538515346 /nfs/dbraw/zinc/51/53/46/538515346.db2.gz LXCWCCUZEIEBCV-SSDOTTSWSA-N 1 0 214.721 1.715 10 0 BDAERO N[C@@H]1C=C(c2ccccc2Cl)C[NH2+]C1 ZINC000675077994 538515551 /nfs/dbraw/zinc/51/55/51/538515551.db2.gz LUDUYHFSQOTUTO-SECBINFHSA-N 1 0 208.692 1.654 10 0 BDAERO CCc1cccc(C2=C[C@H](N)C[NH2+]C2)c1 ZINC000675079473 538518838 /nfs/dbraw/zinc/51/88/38/538518838.db2.gz ZKPCNVOVXJRWEQ-ZDUSSCGKSA-N 1 0 202.301 1.563 10 0 BDAERO F[C@H]1C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000675082222 538523290 /nfs/dbraw/zinc/52/32/90/538523290.db2.gz FUHUUQVUPORYAW-NXEZZACHSA-N 1 0 223.247 1.830 10 0 BDAERO [NH3+]C[C@@H]1CCOC12CCC(F)(F)CC2 ZINC000675080977 538521334 /nfs/dbraw/zinc/52/13/34/538521334.db2.gz YRIKPJRWTZYGQV-QMMMGPOBSA-N 1 0 205.248 1.930 10 0 BDAERO [NH3+]C[C@H]1CCOC12CCC(F)(F)CC2 ZINC000675080976 538521711 /nfs/dbraw/zinc/52/17/11/538521711.db2.gz YRIKPJRWTZYGQV-MRVPVSSYSA-N 1 0 205.248 1.930 10 0 BDAERO COc1ccccc1C1=C[C@@H](O)C[NH2+]C1 ZINC000675076849 538512259 /nfs/dbraw/zinc/51/22/59/538512259.db2.gz GOWONSVXBDKAPW-SNVBAGLBSA-N 1 0 205.257 1.043 10 0 BDAERO CCn1cc(C(=O)C[C@H]2CCC[NH2+]2)cn1 ZINC000086499606 538555693 /nfs/dbraw/zinc/55/56/93/538555693.db2.gz ZFNYQDWBOURSDT-SNVBAGLBSA-N 1 0 207.277 1.228 10 0 BDAERO O=C(C[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000086499679 538556016 /nfs/dbraw/zinc/55/60/16/538556016.db2.gz BRSPVKUTJMSIIN-NSHDSACASA-N 1 0 204.273 1.797 10 0 BDAERO CCc1ccc(N2C[C@H]([NH3+])CCC2=O)cc1 ZINC000084010913 538526058 /nfs/dbraw/zinc/52/60/58/538526058.db2.gz JGIUHUQJTFTLKI-LLVKDONJSA-N 1 0 218.300 1.703 10 0 BDAERO COC(OC)C(=O)C[C@H]1CCC[C@H](C)[NH2+]1 ZINC000130354310 538587691 /nfs/dbraw/zinc/58/76/91/538587691.db2.gz CEPMPPORWVJIEM-DTWKUNHWSA-N 1 0 215.293 1.095 10 0 BDAERO Cc1ccc(C[NH2+][C@@H](C(N)=O)C(C)C)cc1 ZINC000223962182 538597324 /nfs/dbraw/zinc/59/73/24/538597324.db2.gz PZHCXEYGSCUNNA-GFCCVEGCSA-N 1 0 220.316 1.595 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1ccccc1F)C(N)=O ZINC000223965558 538598214 /nfs/dbraw/zinc/59/82/14/538598214.db2.gz KAIWWZCUPFFRHZ-LLVKDONJSA-N 1 0 224.279 1.425 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)ccn1 ZINC000623374148 356886378 /nfs/dbraw/zinc/88/63/78/356886378.db2.gz XQXLBDRKWWGUSV-OLZOCXBDSA-N 1 0 220.316 1.783 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)ccn1 ZINC000623374150 356886454 /nfs/dbraw/zinc/88/64/54/356886454.db2.gz XQXLBDRKWWGUSV-STQMWFEESA-N 1 0 220.316 1.783 10 0 BDAERO C[C@H]([NH3+])C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000041639997 358513455 /nfs/dbraw/zinc/51/34/55/358513455.db2.gz GEYBIKNPOPGISO-GXFFZTMASA-N 1 0 244.294 1.832 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000389531889 356970717 /nfs/dbraw/zinc/97/07/17/356970717.db2.gz IPCTYCPTZOLLDK-GFCCVEGCSA-N 1 0 207.321 1.209 10 0 BDAERO CC(C)([NH3+])C(=O)Cc1cc(F)ccc1F ZINC000168664810 356991452 /nfs/dbraw/zinc/99/14/52/356991452.db2.gz YWTJNKZKZQABIX-UHFFFAOYSA-N 1 0 213.227 1.814 10 0 BDAERO CCc1nc(Br)cc(NN)[nH+]1 ZINC000160419999 356958070 /nfs/dbraw/zinc/95/80/70/356958070.db2.gz ASRBXNXVJGQDCL-UHFFFAOYSA-N 1 0 217.070 1.087 10 0 BDAERO Cc1cc(C)nc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389729997 357022070 /nfs/dbraw/zinc/02/20/70/357022070.db2.gz ORMPYSLJUKCNPX-KWQFWETISA-N 1 0 220.320 1.503 10 0 BDAERO Cc1cnc(N[C@@H]2C[NH2+]CC[C@@H]2C)nc1C ZINC000389747492 357022497 /nfs/dbraw/zinc/02/24/97/357022497.db2.gz HWWAFSNKIKOSEM-GZMMTYOYSA-N 1 0 220.320 1.503 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1cnc2ccccc2n1 ZINC000389693214 357015962 /nfs/dbraw/zinc/01/59/62/357015962.db2.gz ACILYNBVNRBJOW-MFKMUULPSA-N 1 0 242.326 1.462 10 0 BDAERO Cc1nccc(N[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389734548 357021123 /nfs/dbraw/zinc/02/11/23/357021123.db2.gz SUKGDDCRZXDPJI-SCZZXKLOSA-N 1 0 206.293 1.195 10 0 BDAERO CC(C)(C)c1ccnc(NC2C[NH2+]C2)n1 ZINC000389919253 357068107 /nfs/dbraw/zinc/06/81/07/357068107.db2.gz OYZNMNUKOYHRAF-UHFFFAOYSA-N 1 0 206.293 1.158 10 0 BDAERO CCCCCC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403997186 357143135 /nfs/dbraw/zinc/14/31/35/357143135.db2.gz LLVLYLLWQAFTBN-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO c1nnn([C@@H]2CC[NH2+]C2)c1-c1ccccc1 ZINC000258754600 538796678 /nfs/dbraw/zinc/79/66/78/538796678.db2.gz DEPZNOANDSBUHR-LLVKDONJSA-N 1 0 214.272 1.480 10 0 BDAERO Cc1ccc([C@H]([NH3+])c2cnn(C)c2)s1 ZINC000035381536 357211692 /nfs/dbraw/zinc/21/16/92/357211692.db2.gz YNZJFQIPXFAXHV-SNVBAGLBSA-N 1 0 207.302 1.838 10 0 BDAERO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2CN)CS1 ZINC000168799509 357236453 /nfs/dbraw/zinc/23/64/53/357236453.db2.gz CJWDONXLTOOBBX-OPRDCNLKSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C ZINC000130073446 357177460 /nfs/dbraw/zinc/17/74/60/357177460.db2.gz VNXXBSCOBQSFPZ-KOLCDFICSA-N 1 0 210.346 1.930 10 0 BDAERO CN1CCSC[C@H]1[C@H]([NH3+])C1CCC1 ZINC000300053998 357180782 /nfs/dbraw/zinc/18/07/82/357180782.db2.gz UXYVDAJLMOUQBI-VHSXEESVSA-N 1 0 200.351 1.161 10 0 BDAERO CC(C)(C)C[C@@H](CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000393527182 357286465 /nfs/dbraw/zinc/28/64/65/357286465.db2.gz TXLQRLARMPWSQT-QWRGUYRKSA-N 1 0 231.380 1.780 10 0 BDAERO CC(C)(O)C[NH2+]CC(C)(C)C(C)(C)O ZINC000393598718 357288219 /nfs/dbraw/zinc/28/82/19/357288219.db2.gz NJMSIRXNRZHIJH-UHFFFAOYSA-N 1 0 203.326 1.144 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000393813734 357301030 /nfs/dbraw/zinc/30/10/30/357301030.db2.gz RKXFXERRVPEWFA-NWDGAFQWSA-N 1 0 229.364 1.942 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000393813733 357301086 /nfs/dbraw/zinc/30/10/86/357301086.db2.gz RKXFXERRVPEWFA-NEPJUHHUSA-N 1 0 229.364 1.942 10 0 BDAERO [NH3+][C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000039941425 491110682 /nfs/dbraw/zinc/11/06/82/491110682.db2.gz UUZCGULQGOPKJA-DTWKUNHWSA-N 1 0 218.083 1.910 10 0 BDAERO C[C@@H](CCCO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000229584698 357515563 /nfs/dbraw/zinc/51/55/63/357515563.db2.gz KMMNCYPNWOIDHE-HBNTYKKESA-N 1 0 201.310 1.041 10 0 BDAERO C[C@]1(O)CCC[N@@H+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000230371532 357530095 /nfs/dbraw/zinc/53/00/95/357530095.db2.gz NGOCGYGCVSNCJH-AGIUHOORSA-N 1 0 227.348 1.527 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2CCCN(C3CC3)CC2)O1 ZINC000188551411 357561342 /nfs/dbraw/zinc/56/13/42/357561342.db2.gz DCFLBWKTORTUPF-TZMCWYRMSA-N 1 0 238.375 1.724 10 0 BDAERO C[C@@H]1C(=O)NCCC[N@H+]1C[Si](C)(C)C ZINC000189319173 357631183 /nfs/dbraw/zinc/63/11/83/357631183.db2.gz FWWQZRMAZAVAED-SECBINFHSA-N 1 0 214.385 1.074 10 0 BDAERO 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BDAERO CCC[C@H]([NH3+])C(=O)N(Cc1ccccn1)C(C)C ZINC000037817140 358086477 /nfs/dbraw/zinc/08/64/77/358086477.db2.gz ZZHBAIRKNPJJJA-ZDUSSCGKSA-N 1 0 249.358 1.946 10 0 BDAERO Cc1nc(C[C@@H]2CCC[N@H+](CCCO)C2)no1 ZINC000171503569 134258633 /nfs/dbraw/zinc/25/86/33/134258633.db2.gz HNNGJQTWQFWBTL-NSHDSACASA-N 1 0 239.319 1.015 10 0 BDAERO O=C(NC1C[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000085255687 134261957 /nfs/dbraw/zinc/26/19/57/134261957.db2.gz CZEHVJMWGFNKQC-UHFFFAOYSA-N 1 0 245.109 1.695 10 0 BDAERO C[C@@]([NH3+])(C[NH3+])CCOCc1ccc(F)c(F)c1 ZINC000584614518 358278921 /nfs/dbraw/zinc/27/89/21/358278921.db2.gz ZAMJXWYIYAQMHQ-LBPRGKRZSA-N 1 0 244.285 1.548 10 0 BDAERO COC(=O)c1cccc([C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000584597886 358255925 /nfs/dbraw/zinc/25/59/25/358255925.db2.gz WHJBYCMSWOXVAU-NWDGAFQWSA-N 1 0 235.283 1.652 10 0 BDAERO O=CN[C@H]1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000584603976 358262178 /nfs/dbraw/zinc/26/21/78/358262178.db2.gz CPEDXYNADKORTJ-GXTWGEPZSA-N 1 0 230.311 1.494 10 0 BDAERO 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C[C@@H]1SCC[C@@H]1N(C)[C@H]1CC[NH2+]C1 ZINC000300353079 358971951 /nfs/dbraw/zinc/97/19/51/358971951.db2.gz TWZBQOMMMCJLTK-GUBZILKMSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCO[C@H]2C)sn1 ZINC000306160445 358958059 /nfs/dbraw/zinc/95/80/59/358958059.db2.gz FXLXEGPDZDMAAQ-WPRPVWTQSA-N 1 0 212.318 1.719 10 0 BDAERO C[C@@H]1CCS[C@@](C)([C@H]2CCCO2)[NH2+]1 ZINC000306196198 359024461 /nfs/dbraw/zinc/02/44/61/359024461.db2.gz VPIGQDGWYXWDOM-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@]1(C(=O)N[C@@H](C)CC2CC2)CC[NH2+]C1 ZINC000069668680 359031513 /nfs/dbraw/zinc/03/15/13/359031513.db2.gz VBZYYVNSISQFTA-GWCFXTLKSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@H](CCCCO)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000308844363 491138863 /nfs/dbraw/zinc/13/88/63/491138863.db2.gz LNBJXEXNEBSFBD-WOPDTQHZSA-N 1 0 215.337 1.431 10 0 BDAERO CCNC(=[NH2+])N[C@H]1CCC[C@H](SC)C1 ZINC000300391638 358987464 /nfs/dbraw/zinc/98/74/64/358987464.db2.gz TVDQLAWQPKTEAK-IUCAKERBSA-N 1 0 215.366 1.794 10 0 BDAERO 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CC1(C)COC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000306280235 359508474 /nfs/dbraw/zinc/50/84/74/359508474.db2.gz SZJBZSCREKVNFQ-LBPRGKRZSA-N 1 0 247.342 1.726 10 0 BDAERO CC(C)N1CC(NC2=[NH+]C[C@@H](C)S2)C1 ZINC000306299311 359546633 /nfs/dbraw/zinc/54/66/33/359546633.db2.gz DZVSBEVAQYWLFK-MRVPVSSYSA-N 1 0 213.350 1.160 10 0 BDAERO CC[C@](C)(C(C)=O)[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000306303243 359579089 /nfs/dbraw/zinc/57/90/89/359579089.db2.gz HJDQLKSHEKJZSQ-MVWJERBFSA-N 1 0 213.321 1.447 10 0 BDAERO Cc1ccc(CC(=O)C[NH3+])cc1Br ZINC000306309223 359590700 /nfs/dbraw/zinc/59/07/00/359590700.db2.gz LHRJMTXOJXXADW-UHFFFAOYSA-N 1 0 242.116 1.828 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000623764964 359635351 /nfs/dbraw/zinc/63/53/51/359635351.db2.gz LYNBKYNGVJXPEN-DTWKUNHWSA-N 1 0 247.747 1.641 10 0 BDAERO CCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)s1 ZINC000623765502 359664527 /nfs/dbraw/zinc/66/45/27/359664527.db2.gz UOQRDCNHVRWRDI-NEPJUHHUSA-N 1 0 241.356 1.550 10 0 BDAERO C[C@@H]([NH3+])c1csc(-c2csnn2)n1 ZINC000306369926 359700185 /nfs/dbraw/zinc/70/01/85/359700185.db2.gz MKBWQROEKDAWAR-SCSAIBSYSA-N 1 0 212.303 1.681 10 0 BDAERO [NH3+][C@@H]1CC[C@@](F)(Cc2csnn2)C1 ZINC000306385282 359736617 /nfs/dbraw/zinc/73/66/17/359736617.db2.gz COBVESOCWLWITL-SVRRBLITSA-N 1 0 201.270 1.300 10 0 BDAERO CN(C)c1ccc(C(N)=[NH2+])cc1Br ZINC000169204720 359775282 /nfs/dbraw/zinc/77/52/82/359775282.db2.gz KKLXKLBQUBSOKQ-UHFFFAOYSA-N 1 0 242.120 1.799 10 0 BDAERO O=[S@](c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000306409955 359799553 /nfs/dbraw/zinc/79/95/53/359799553.db2.gz KLRJXCFMZQIONP-OQPBUACISA-N 1 0 215.343 1.608 10 0 BDAERO Cc1cc[nH+]c(N[C@@H]2CCSC2)c1N ZINC000231345163 359858469 /nfs/dbraw/zinc/85/84/69/359858469.db2.gz HVUVGDXWYHUPAM-MRVPVSSYSA-N 1 0 209.318 1.890 10 0 BDAERO CC[N@@H+]1CCCN([C@H]2CCCC2=O)CC1 ZINC000306430584 359884668 /nfs/dbraw/zinc/88/46/68/359884668.db2.gz YZONEANCHHUZAC-NSHDSACASA-N 1 0 210.321 1.136 10 0 BDAERO CCN(C[C@@H](O)C[NH2+]C)c1ccccc1C ZINC000019864063 169885313 /nfs/dbraw/zinc/88/53/13/169885313.db2.gz RRVQELNPWFATRU-LBPRGKRZSA-N 1 0 222.332 1.402 10 0 BDAERO O[C@@H](c1ncc(Cl)s1)C1C[NH2+]C1 ZINC000306455290 360045908 /nfs/dbraw/zinc/04/59/08/360045908.db2.gz NYEIKSDHMLTTSG-ZCFIWIBFSA-N 1 0 204.682 1.049 10 0 BDAERO CCn1cncc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000090173718 360062449 /nfs/dbraw/zinc/06/24/49/360062449.db2.gz RYYLOBKPRJHVMF-AAEUAGOBSA-N 1 0 237.347 1.544 10 0 BDAERO COc1cc([C@H]2CC[NH2+]C[C@H]2C)sn1 ZINC000306464048 360076087 /nfs/dbraw/zinc/07/60/87/360076087.db2.gz ANHVTXBJMKPRFU-SFYZADRCSA-N 1 0 212.318 1.865 10 0 BDAERO C1=C(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)COCC1 ZINC000091979270 360139899 /nfs/dbraw/zinc/13/98/99/360139899.db2.gz KUGRLTLANMPGMI-ZIAGYGMSSA-N 1 0 237.343 1.977 10 0 BDAERO C[NH2+]C[C@H]1C[C@@H]1c1c(Br)cnn1C ZINC000306474144 360111579 /nfs/dbraw/zinc/11/15/79/360111579.db2.gz FPJVEYBKJVFJLI-RQJHMYQMSA-N 1 0 244.136 1.506 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]2CCC[C@@H]21 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ZINC000094074145 360295811 /nfs/dbraw/zinc/29/58/11/360295811.db2.gz GXADQRJQUUBXNO-CYBMUJFWSA-N 1 0 233.359 1.464 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000309436907 491148258 /nfs/dbraw/zinc/14/82/58/491148258.db2.gz NAEKKWJHSBNLIO-RYUDHWBXSA-N 1 0 226.364 1.485 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+]CCCCF)[C@@H](C)C1 ZINC000309452931 491148494 /nfs/dbraw/zinc/14/84/94/491148494.db2.gz MZFFZKQZELQEKQ-JQWIXIFHSA-N 1 0 230.327 1.583 10 0 BDAERO Cc1nccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000094449303 360309190 /nfs/dbraw/zinc/30/91/90/360309190.db2.gz JHQBJEAFCMCDCR-FZMZJTMJSA-N 1 0 246.358 1.454 10 0 BDAERO C[C@H](C[NH2+][C@@H]1CCNC1=O)c1ccccc1 ZINC000309394839 491148294 /nfs/dbraw/zinc/14/82/94/491148294.db2.gz VDTGIYXWKRWCGV-ZYHUDNBSSA-N 1 0 218.300 1.268 10 0 BDAERO CC[C@H](C(N)=[NH2+])N1CCSC[C@@H]1C ZINC000069761055 360409034 /nfs/dbraw/zinc/40/90/34/360409034.db2.gz FGWBPIZKBJROKJ-JGVFFNPUSA-N 1 0 201.339 1.138 10 0 BDAERO CC[C@@H]1CS[C@@](C)([C@@H]2CCC[NH2+]2)N1 ZINC000306580293 360470573 /nfs/dbraw/zinc/47/05/73/360470573.db2.gz OHPYRPYSVNIQET-UTLUCORTSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]1C[NH2+][C@H]([C@@H]2CC2(C)C)C[S@]1=O ZINC000306579559 360472895 /nfs/dbraw/zinc/47/28/95/360472895.db2.gz NBAIETNLPBWGBJ-MRCNFZFLSA-N 1 0 201.335 1.142 10 0 BDAERO N[C@@H](CC[NH3+])c1cc(F)c(F)cc1F ZINC000306583233 360481984 /nfs/dbraw/zinc/48/19/84/360481984.db2.gz PNZOTBRRORYSCV-VIFPVBQESA-N 1 0 204.195 1.453 10 0 BDAERO C[NH+](C)C1(CNc2cc(Cl)ncn2)CC1 ZINC000306586671 360488005 /nfs/dbraw/zinc/48/80/05/360488005.db2.gz RNCVMIHBBSXXBT-UHFFFAOYSA-N 1 0 226.711 1.636 10 0 BDAERO C[C@H]1CCCN(C2CSC2)[C@H]1C[NH3+] ZINC000306577598 360466075 /nfs/dbraw/zinc/46/60/75/360466075.db2.gz LKWGWQOOUGDPCS-WPRPVWTQSA-N 1 0 200.351 1.161 10 0 BDAERO C[C@@H]1CSC[C@@H]1NC1=[NH+]CCS1 ZINC000306597569 360519762 /nfs/dbraw/zinc/51/97/62/360519762.db2.gz ZQAVPKRVTRMJKH-RQJHMYQMSA-N 1 0 202.348 1.430 10 0 BDAERO CC1(C)NCCn2c(C(F)(F)F)nnc21 ZINC000144267229 360528198 /nfs/dbraw/zinc/52/81/98/360528198.db2.gz JICAXRKBYUJGEI-UHFFFAOYSA-N 1 0 220.198 1.135 10 0 BDAERO CSC1CCN([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000300838964 360532579 /nfs/dbraw/zinc/53/25/79/360532579.db2.gz LUVICCCHZDZAKD-QWRGUYRKSA-N 1 0 214.378 1.694 10 0 BDAERO CC1(Nc2ncncc2Br)C[NH2+]C1 ZINC000306592519 360511578 /nfs/dbraw/zinc/51/15/78/360511578.db2.gz WNKKUUIXUONSPS-UHFFFAOYSA-N 1 0 243.108 1.013 10 0 BDAERO C[C@H]([NH3+])[C@@H](N1C[C@@H]2C[C@@H]2C1)C(F)(F)F ZINC000306595001 360512485 /nfs/dbraw/zinc/51/24/85/360512485.db2.gz KMKYURZAMIAQQB-RULNZFCNSA-N 1 0 208.227 1.216 10 0 BDAERO O=[S@](c1cc(F)ccc1F)C1C[NH2+]C1 ZINC000306593099 360513536 /nfs/dbraw/zinc/51/35/36/360513536.db2.gz IUJLAYUCSQEEOE-AWEZNQCLSA-N 1 0 217.240 1.044 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CCCC(C)(C)C1 ZINC000069793342 360556237 /nfs/dbraw/zinc/55/62/37/360556237.db2.gz RBMOVOMSDWQJRQ-QMMMGPOBSA-N 1 0 200.351 1.783 10 0 BDAERO O[C@H]1C[NH2+]C[C@@H]1Oc1cccc(Cl)c1 ZINC000039418360 360614661 /nfs/dbraw/zinc/61/46/61/360614661.db2.gz MOMIXGTYNLLVBV-UWVGGRQHSA-N 1 0 213.664 1.052 10 0 BDAERO CC[C@@H](O)C[N@H+](CCOC)Cc1ccsc1 ZINC000036099265 360597682 /nfs/dbraw/zinc/59/76/82/360597682.db2.gz ICNVNRYGSRQUHT-GFCCVEGCSA-N 1 0 243.372 1.967 10 0 BDAERO C[C@H]1C[N@@H+](C2CCOCC2)CCS1 ZINC000132901530 200673498 /nfs/dbraw/zinc/67/34/98/200673498.db2.gz FFMXOFVDWPOBBO-VIFPVBQESA-N 1 0 201.335 1.603 10 0 BDAERO CC(C)[C@H]1C[C@@](C[NH3+])(N(C)C)CCO1 ZINC000069892055 360950557 /nfs/dbraw/zinc/95/05/57/360950557.db2.gz HIYTUJOLAURXMP-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO CC[C@@]1(C)C[C@](C[NH3+])(N(C)C)CCO1 ZINC000069892052 360950574 /nfs/dbraw/zinc/95/05/74/360950574.db2.gz XUDITFYYXMTPIK-WDEREUQCSA-N 1 0 200.326 1.225 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ncc(C)o2)C1 ZINC000309642913 491153415 /nfs/dbraw/zinc/15/34/15/491153415.db2.gz LEETVOXQFZPXPQ-KOLCDFICSA-N 1 0 223.320 1.413 10 0 BDAERO C[C@@H](CC(N)=S)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000069908543 361001148 /nfs/dbraw/zinc/00/11/48/361001148.db2.gz GPRDCOSNNAMTGJ-DJLDLDEBSA-N 1 0 232.418 1.877 10 0 BDAERO C[C@H]1C[NH+](CCC(N)=S)C[C@H](C)S1 ZINC000069908531 361001270 /nfs/dbraw/zinc/00/12/70/361001270.db2.gz SCBVTWNYPTZXFP-YUMQZZPRSA-N 1 0 218.391 1.488 10 0 BDAERO [NH3+][C@@H]1CCC[S@](=O)c2ccc(F)cc21 ZINC000040974074 360983076 /nfs/dbraw/zinc/98/30/76/360983076.db2.gz LGTVEXSIBYXJJX-YMTOWFKASA-N 1 0 213.277 1.727 10 0 BDAERO COc1nc(C[NH3+])ccc1OC(F)(F)F ZINC000238381395 360988117 /nfs/dbraw/zinc/98/81/17/360988117.db2.gz FNUORLAJAPPYSG-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO CCNC(=[NH2+])N1C[C@@H](C)S[C@@H](C)C1 ZINC000069910011 361016958 /nfs/dbraw/zinc/01/69/58/361016958.db2.gz IOBNUMQRXGLNGW-OCAPTIKFSA-N 1 0 201.339 1.356 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CC12CC2 ZINC000424219765 200892277 /nfs/dbraw/zinc/89/22/77/200892277.db2.gz FFOJWSLIAVDDFN-GUBZILKMSA-N 1 0 208.305 1.043 10 0 BDAERO [NH3+]C1(C(=O)N2C[C@@H]3CCCCC[C@@H]32)CC1 ZINC000309591127 181324714 /nfs/dbraw/zinc/32/47/14/181324714.db2.gz ZJKIBRDGGKLDCW-UWVGGRQHSA-N 1 0 208.305 1.269 10 0 BDAERO [NH3+]Cc1cc(F)ncc1OC(F)(F)F ZINC000238662298 361174301 /nfs/dbraw/zinc/17/43/01/361174301.db2.gz MIDZSPOZRMSFAV-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO [NH3+]Cc1cc(OC(F)(F)F)cnc1F ZINC000238675381 361176957 /nfs/dbraw/zinc/17/69/57/361176957.db2.gz SWZRFYGGJMZCEK-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO C[NH2+]Cc1cnc(-n2ccc(C)n2)s1 ZINC000306620083 361195284 /nfs/dbraw/zinc/19/52/84/361195284.db2.gz WKOVTGMWAGUUAZ-UHFFFAOYSA-N 1 0 208.290 1.357 10 0 BDAERO FC1(F)CC[C@@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000306621051 361230921 /nfs/dbraw/zinc/23/09/21/361230921.db2.gz YUBIZBSUHCJMJC-RKDXNWHRSA-N 1 0 204.264 1.516 10 0 BDAERO CC1(C[NH2+][C@H]2CCc3ncnn3C2)CCC1 ZINC000309753434 491155584 /nfs/dbraw/zinc/15/55/84/491155584.db2.gz HFKXHWUELUVHNX-JTQLQIEISA-N 1 0 220.320 1.373 10 0 BDAERO C[C@@H]1CCSCC[N@@H+]1[C@@H]1CCC(=O)C1 ZINC000306625592 361285163 /nfs/dbraw/zinc/28/51/63/361285163.db2.gz GZSMONBBDRCGEP-NXEZZACHSA-N 1 0 213.346 1.935 10 0 BDAERO CC[C@H]([NH3+])C(=O)N1CCSCC[C@H]1C ZINC000306626691 361289845 /nfs/dbraw/zinc/28/98/45/361289845.db2.gz IAOLCHPPFHEXKT-BDAKNGLRSA-N 1 0 216.350 1.078 10 0 BDAERO C[C@@H]1[C@H](C)OCCN1C(=[NH2+])NCc1ccccc1 ZINC000306623379 361267000 /nfs/dbraw/zinc/26/70/00/361267000.db2.gz BLLQJPBLOYDJBN-NEPJUHHUSA-N 1 0 247.342 1.820 10 0 BDAERO C[C@@H]1CCSCCN1[C@H]1CCC[NH2+]C1 ZINC000306629197 361298502 /nfs/dbraw/zinc/29/85/02/361298502.db2.gz JTNULLHFSFXISE-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000249249036 361331729 /nfs/dbraw/zinc/33/17/29/361331729.db2.gz BSGQMOJLZQNWHO-CMPLNLGQSA-N 1 0 229.320 1.296 10 0 BDAERO [NH3+]C1(C(=O)OC[C@H]2CCOC2)CCCCC1 ZINC000049688423 181331315 /nfs/dbraw/zinc/33/13/15/181331315.db2.gz KIVRXYHPIXUYNV-JTQLQIEISA-N 1 0 227.304 1.228 10 0 BDAERO [NH3+]C1(CN2CCCOCC2)CCCCC1 ZINC000061934904 181331430 /nfs/dbraw/zinc/33/14/30/181331430.db2.gz KEYGNTGIIPJOEY-UHFFFAOYSA-N 1 0 212.337 1.370 10 0 BDAERO CCC[C@@H](C(=O)N[C@H]1CCCOCC1)[NH+](C)C ZINC000180978099 366779549 /nfs/dbraw/zinc/77/95/49/366779549.db2.gz VWSGCEDEKYTGHL-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CCC[C@H](C(=O)N[C@@H](CC)CSC)[NH+](C)C ZINC000181199064 366794022 /nfs/dbraw/zinc/79/40/22/366794022.db2.gz MNFIZAJRAWJEND-WDEREUQCSA-N 1 0 246.420 1.975 10 0 BDAERO COC(C)(C)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000306637696 361570168 /nfs/dbraw/zinc/57/01/68/361570168.db2.gz MHCAMXGPVGMHTI-SECBINFHSA-N 1 0 201.310 1.114 10 0 BDAERO CC(C)(C)C1=C[C@](O)(C(F)(F)F)NC(=[NH2+])N1 ZINC000101378075 166542412 /nfs/dbraw/zinc/54/24/12/166542412.db2.gz FMSFSISNDCEIKF-QMMMGPOBSA-N 1 0 237.225 1.443 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCOCC1CC1 ZINC000448549043 201214558 /nfs/dbraw/zinc/21/45/58/201214558.db2.gz HKBBYOALVVBEPF-JQWIXIFHSA-N 1 0 213.321 1.258 10 0 BDAERO [NH3+]C1CCC(C(=O)NC[C@H]2CCCCO2)CC1 ZINC000042823623 181340504 /nfs/dbraw/zinc/34/05/04/181340504.db2.gz IWFXFXIMYFYETR-HTAVTVPLSA-N 1 0 240.347 1.189 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)C(C)C ZINC000153802848 201250376 /nfs/dbraw/zinc/25/03/76/201250376.db2.gz PPPRUVMMKSTMAS-UPJWGTAASA-N 1 0 229.364 1.798 10 0 BDAERO CN(C[C@]1(C)CCC[NH2+]1)[C@@H]1CCSC1 ZINC000070619598 361643745 /nfs/dbraw/zinc/64/37/45/361643745.db2.gz PMOMKTSVDLOWLX-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO [NH3+]C1CCC(NC(=O)C2[C@@H]3CCCC[C@H]23)CC1 ZINC000132592557 181341463 /nfs/dbraw/zinc/34/14/63/181341463.db2.gz DCKOYHTVYVDEAN-ACDMLXGOSA-N 1 0 236.359 1.809 10 0 BDAERO CN(C)c1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000082239024 361655867 /nfs/dbraw/zinc/65/58/67/361655867.db2.gz PWSIZJXCBQSRAQ-UHFFFAOYSA-N 1 0 235.331 1.220 10 0 BDAERO [NH3+]C1CCC(OCCN2CCCOC2=O)CC1 ZINC000104385363 181342621 /nfs/dbraw/zinc/34/26/21/181342621.db2.gz DGXZKJRTWLIJAJ-UHFFFAOYSA-N 1 0 242.319 1.115 10 0 BDAERO [NH3+]C1CCN(CC(=O)c2ccccc2F)CC1 ZINC000045895515 181343170 /nfs/dbraw/zinc/34/31/70/181343170.db2.gz RZRQNMUNNBVCDZ-UHFFFAOYSA-N 1 0 236.290 1.432 10 0 BDAERO CC1(C)CC[C@@H]2[NH2+]CC[S@](=O)[C@H]2C1 ZINC000070627454 361679827 /nfs/dbraw/zinc/67/98/27/361679827.db2.gz UIQDDOKMFIOCMB-MWODSPESSA-N 1 0 201.335 1.286 10 0 BDAERO Cc1nn(Cc2cccs2)cc1C[NH3+] ZINC000070630907 361684219 /nfs/dbraw/zinc/68/42/19/361684219.db2.gz ATMVGZHASKSHNB-UHFFFAOYSA-N 1 0 207.302 1.760 10 0 BDAERO NC(=S)[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000070661927 361700777 /nfs/dbraw/zinc/70/07/77/361700777.db2.gz FAKWVICPBHPGQS-JTQLQIEISA-N 1 0 212.362 1.927 10 0 BDAERO [NH3+]C1CN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000082595504 181345341 /nfs/dbraw/zinc/34/53/41/181345341.db2.gz CEPBZWRMQQPLPA-UHFFFAOYSA-N 1 0 230.233 1.848 10 0 BDAERO NC(=[NH2+])C1CCN(c2nccs2)CC1 ZINC000070664189 361708342 /nfs/dbraw/zinc/70/83/42/361708342.db2.gz LAANANOMNUCUDQ-UHFFFAOYSA-N 1 0 210.306 1.295 10 0 BDAERO C(C[NH2+]C1CC1)Nc1nc(C2CC2)ns1 ZINC000083670413 491162470 /nfs/dbraw/zinc/16/24/70/491162470.db2.gz PMHSIKDHFSXHSH-UHFFFAOYSA-N 1 0 224.333 1.579 10 0 BDAERO [NH3+]CC(=O)Cc1csc2ccccc12 ZINC000082639854 181348636 /nfs/dbraw/zinc/34/86/36/181348636.db2.gz WUXOJUPOOKBARC-UHFFFAOYSA-N 1 0 205.282 1.972 10 0 BDAERO CCc1cnc(C[NH2+][C@@H]2CCN(CC)C2)s1 ZINC000328154827 363852316 /nfs/dbraw/zinc/85/23/16/363852316.db2.gz FNLAXEHXAATNEB-SNVBAGLBSA-N 1 0 239.388 1.889 10 0 BDAERO CC[N@@H+]1CC[C@](O)(Cc2ccc(F)cc2)C1 ZINC000328271197 363871571 /nfs/dbraw/zinc/87/15/71/363871571.db2.gz PLFAAUUTSFZAMG-ZDUSSCGKSA-N 1 0 223.291 1.825 10 0 BDAERO CCC(CC)CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000150963373 192941445 /nfs/dbraw/zinc/94/14/45/192941445.db2.gz RPARYEPCTLGEJL-WDEREUQCSA-N 1 0 212.337 1.666 10 0 BDAERO CCn1cccc1-c1noc([C@H]2CC[NH2+]C2)n1 ZINC000409422699 541317538 /nfs/dbraw/zinc/31/75/38/541317538.db2.gz JSGVLECPUITPCA-VIFPVBQESA-N 1 0 232.287 1.635 10 0 BDAERO CSC1([C@H](O)C(C)(C)C[NH3+])CCC1 ZINC000308201602 541320404 /nfs/dbraw/zinc/32/04/04/541320404.db2.gz VPAGQRMDLCYWOJ-MRVPVSSYSA-N 1 0 203.351 1.618 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000124257496 541326335 /nfs/dbraw/zinc/32/63/35/541326335.db2.gz FGMYJVBDIYGTKM-TVQRCGJNSA-N 1 0 230.311 1.471 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CNC(=O)NC1CCCCC1 ZINC000725255171 541332283 /nfs/dbraw/zinc/33/22/83/541332283.db2.gz VEZQELUJKSOYTI-CMPLNLGQSA-N 1 0 241.379 1.992 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630359390 364079826 /nfs/dbraw/zinc/07/98/26/364079826.db2.gz CTJSPKXEPPLGQS-SDDRHHMPSA-N 1 0 214.353 1.471 10 0 BDAERO CO[C@H]1CN(Cc2ccc(C)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361485 364081266 /nfs/dbraw/zinc/08/12/66/364081266.db2.gz MHYGUMIHIJZWLZ-HUUCEWRRSA-N 1 0 248.370 1.933 10 0 BDAERO CC[C@H](C)CC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630373066 364089538 /nfs/dbraw/zinc/08/95/38/364089538.db2.gz IUQQXVBOOBZNQK-GVXVVHGQSA-N 1 0 242.363 1.387 10 0 BDAERO CCC(=O)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000725263617 541336603 /nfs/dbraw/zinc/33/66/03/541336603.db2.gz WLMDKZVSQDUMRF-OUCADQQQSA-N 1 0 236.359 1.777 10 0 BDAERO O=C(C1CC1)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000725263591 541336650 /nfs/dbraw/zinc/33/66/50/541336650.db2.gz UGFMGFZONXPZOM-GUTXKFCHSA-N 1 0 248.370 1.777 10 0 BDAERO CCC(=O)N1CC[C@@H]2CC[C@]21[C@H]1CCC[NH2+]C1 ZINC000725263619 541336899 /nfs/dbraw/zinc/33/68/99/541336899.db2.gz WLMDKZVSQDUMRF-SGMGOOAPSA-N 1 0 236.359 1.777 10 0 BDAERO CC(C)CC[NH2+]C[C@H](O)[C@@H]1COC(C)(C)O1 ZINC000725268949 541338011 /nfs/dbraw/zinc/33/80/11/541338011.db2.gz IFMXJRZAXLIBMB-QWRGUYRKSA-N 1 0 231.336 1.135 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000725271478 541339544 /nfs/dbraw/zinc/33/95/44/541339544.db2.gz NQYBLEVZYDAKOT-SDDRHHMPSA-N 1 0 241.379 1.657 10 0 BDAERO CCCOc1nccnc1N1CCC[C@H]([NH3+])C1 ZINC000630505380 364192176 /nfs/dbraw/zinc/19/21/76/364192176.db2.gz BELQFSBGYLAERP-JTQLQIEISA-N 1 0 236.319 1.193 10 0 BDAERO CCCOc1nccnc1NCC[NH2+]CC ZINC000630508697 364193566 /nfs/dbraw/zinc/19/35/66/364193566.db2.gz QQWARBFKJNZBGG-UHFFFAOYSA-N 1 0 224.308 1.287 10 0 BDAERO CCCOc1nccnc1N1CC[C@H](C[NH3+])C1 ZINC000630508386 364196259 /nfs/dbraw/zinc/19/62/59/364196259.db2.gz LHYPKDJZFKXBEF-SNVBAGLBSA-N 1 0 236.319 1.050 10 0 BDAERO CCCOc1nccnc1N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000630515134 364201268 /nfs/dbraw/zinc/20/12/68/364201268.db2.gz PJNQUCHCWOFHHW-NXEZZACHSA-N 1 0 236.319 1.049 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nc(C)cc(C(C)C)n1 ZINC000630518838 364202010 /nfs/dbraw/zinc/20/20/10/364202010.db2.gz LLUAEHUVLLLBLC-SNVBAGLBSA-N 1 0 222.336 1.928 10 0 BDAERO Cc1cnc(NCC2([NH3+])CCOCC2)nc1C ZINC000630524054 364209916 /nfs/dbraw/zinc/20/99/16/364209916.db2.gz FWNGHCYGQYHMIE-UHFFFAOYSA-N 1 0 236.319 1.013 10 0 BDAERO [NH3+]CC1(C(=O)Nc2cccc(F)c2)CC1 ZINC000082640624 181358937 /nfs/dbraw/zinc/35/89/37/181358937.db2.gz QXAKSTZVXHZRLJ-UHFFFAOYSA-N 1 0 208.236 1.503 10 0 BDAERO [NH3+]CC1(C(=O)NC2CCCCCC2)CC1 ZINC000082641488 181359074 /nfs/dbraw/zinc/35/90/74/181359074.db2.gz BMXDEKOSWKIPGI-UHFFFAOYSA-N 1 0 210.321 1.564 10 0 BDAERO [NH3+]CCCOCCNc1nccc2occc21 ZINC000630537696 364232936 /nfs/dbraw/zinc/23/29/36/364232936.db2.gz PPLIDORTHJSVCT-UHFFFAOYSA-N 1 0 235.287 1.605 10 0 BDAERO C[C@@H]1CN(c2ncnc3ccccc32)C[C@H]1C[NH3+] ZINC000630576161 364274460 /nfs/dbraw/zinc/27/44/60/364274460.db2.gz XDQPMIOYDPWQTA-GHMZBOCLSA-N 1 0 242.326 1.661 10 0 BDAERO [NH3+][C@@H]1CCCCCN(c2ccccn2)C1 ZINC000630550556 364243694 /nfs/dbraw/zinc/24/36/94/364243694.db2.gz UCVYKURHINNHIM-LLVKDONJSA-N 1 0 205.305 1.789 10 0 BDAERO CCc1nsc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630548400 364244985 /nfs/dbraw/zinc/24/49/85/364244985.db2.gz FSDSHFFWXIPYIZ-SECBINFHSA-N 1 0 240.376 1.808 10 0 BDAERO Cc1nsc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630548620 364245001 /nfs/dbraw/zinc/24/50/01/364245001.db2.gz HEHGXDMOFMVUMM-VIFPVBQESA-N 1 0 226.349 1.554 10 0 BDAERO [NH3+][C@@H]1CCCCCN(c2ncccn2)C1 ZINC000630551087 364245120 /nfs/dbraw/zinc/24/51/20/364245120.db2.gz YAIZKKCTQAFSIK-SNVBAGLBSA-N 1 0 206.293 1.184 10 0 BDAERO Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)nc(C)n1 ZINC000630565863 364263697 /nfs/dbraw/zinc/26/36/97/364263697.db2.gz AMAYVGVZRDKJBU-LDYMZIIASA-N 1 0 220.320 1.124 10 0 BDAERO C[C@H]1CN(c2ncnc3sccc32)C[C@@H]1C[NH3+] ZINC000630569955 364266155 /nfs/dbraw/zinc/26/61/55/364266155.db2.gz LDMHQBIVGWIFBH-IUCAKERBSA-N 1 0 248.355 1.722 10 0 BDAERO COc1cc(C)nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630534319 364227439 /nfs/dbraw/zinc/22/74/39/364227439.db2.gz WEEWVGWMXSVAPH-PSASIEDQSA-N 1 0 236.319 1.346 10 0 BDAERO C[C@@H]1CC[C@H](Nc2ncc(F)cn2)C[NH2+]1 ZINC000630534339 364227944 /nfs/dbraw/zinc/22/79/44/364227944.db2.gz WKVPOKKKJKLPKZ-APPZFPTMSA-N 1 0 210.256 1.168 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2cn[nH]c(=O)c2Cl)C[NH2+]1 ZINC000630534560 364228904 /nfs/dbraw/zinc/22/89/04/364228904.db2.gz NBXCSCCNBVHFDG-RNFRBKRXSA-N 1 0 242.710 1.388 10 0 BDAERO CCc1nc(C)cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630535252 364229661 /nfs/dbraw/zinc/22/96/61/364229661.db2.gz SLXMVFPVYIMEJG-MWLCHTKSSA-N 1 0 234.347 1.322 10 0 BDAERO C[C@@H]1CN(C(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000630582447 364283037 /nfs/dbraw/zinc/28/30/37/364283037.db2.gz SSIYEMLSMCPVTP-MNOVXSKESA-N 1 0 233.315 1.745 10 0 BDAERO [NH3+]CC1(c2ccc(Br)cn2)CC1 ZINC000083323841 181361446 /nfs/dbraw/zinc/36/14/46/181361446.db2.gz XDARYZKJVVJCEM-UHFFFAOYSA-N 1 0 227.105 1.834 10 0 BDAERO [NH3+]CC1=NN[C@@H](c2ccc(Cl)cc2)C1 ZINC000041141404 181364149 /nfs/dbraw/zinc/36/41/49/181364149.db2.gz NOCOKPLKIABNPY-SNVBAGLBSA-N 1 0 209.680 1.689 10 0 BDAERO [NH3+]CC1(c2nc3cc[nH]cc-3n2)CCCC1 ZINC000082971273 181363675 /nfs/dbraw/zinc/36/36/75/181363675.db2.gz DLENSCKAWYJTBL-UHFFFAOYSA-N 1 0 216.288 1.728 10 0 BDAERO [NH3+]CC1CCN(CC(=O)c2ccco2)CC1 ZINC000095072680 181365516 /nfs/dbraw/zinc/36/55/16/181365516.db2.gz DDAWFKRGOXXXSS-UHFFFAOYSA-N 1 0 222.288 1.133 10 0 BDAERO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1(C)C ZINC000250790134 364521392 /nfs/dbraw/zinc/52/13/92/364521392.db2.gz IEQLMGDFLVNZDV-ZSBIGDGJSA-N 1 0 236.359 1.585 10 0 BDAERO CC(C)(C)OCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247383697 364622445 /nfs/dbraw/zinc/62/24/45/364622445.db2.gz WFRGFVRCGMYOCB-LBPRGKRZSA-N 1 0 226.364 1.582 10 0 BDAERO CC[C@@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248156623 364628460 /nfs/dbraw/zinc/62/84/60/364628460.db2.gz RKLKSIILYAOHTG-XQQFMLRXSA-N 1 0 227.348 1.384 10 0 BDAERO Cc1ncsc1CC[NH2+]C[C@H](O)C(C)(C)C ZINC000324352104 364773435 /nfs/dbraw/zinc/77/34/35/364773435.db2.gz PFLXTKWREZGBDM-NSHDSACASA-N 1 0 242.388 1.991 10 0 BDAERO [NH3+]CCC1CN(C(=O)OCc2ccccc2)C1 ZINC000095077561 181371261 /nfs/dbraw/zinc/37/12/61/181371261.db2.gz RLXSWVHMNARABY-UHFFFAOYSA-N 1 0 234.299 1.604 10 0 BDAERO Cc1ccnc(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000328214929 364818608 /nfs/dbraw/zinc/81/86/08/364818608.db2.gz XQJPCZIIDUZMBB-CHWSQXEVSA-N 1 0 220.316 1.783 10 0 BDAERO Cc1ccc(C2=C[C@H](N)C[NH2+]C2)cc1F ZINC000675078128 541390544 /nfs/dbraw/zinc/39/05/44/541390544.db2.gz MSJAZTCWMCFQPE-NSHDSACASA-N 1 0 206.264 1.448 10 0 BDAERO [NH3+]CCCCCNC(=O)NC1CCCCC1 ZINC000070671103 181374906 /nfs/dbraw/zinc/37/49/06/181374906.db2.gz FFNUHOQDIKGQNK-UHFFFAOYSA-N 1 0 227.352 1.747 10 0 BDAERO [NH3+]CCCCCSC1=NCCS1 ZINC000169726417 181375405 /nfs/dbraw/zinc/37/54/05/181375405.db2.gz CTGANUVJSAXPCL-UHFFFAOYSA-N 1 0 204.364 1.951 10 0 BDAERO C[C@@H]1CCC[C@@H](C2C(=O)CCCC2=O)[NH2+]1 ZINC000230796312 541414876 /nfs/dbraw/zinc/41/48/76/541414876.db2.gz SCEBHFOCRNFOPY-BDAKNGLRSA-N 1 0 209.289 1.455 10 0 BDAERO C[C@H]1CC[NH2+][C@H](C2C(=O)CCCC2=O)C1 ZINC000230796274 541415142 /nfs/dbraw/zinc/41/51/42/541415142.db2.gz NNCJLDURSDNTRO-IUCAKERBSA-N 1 0 209.289 1.313 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2CC(O)C2)[C@H]2CCCO[C@@H]21 ZINC000091525264 325687368 /nfs/dbraw/zinc/68/73/68/325687368.db2.gz GSQTYEKJNDZADP-ABLIHOLZSA-N 1 0 239.359 1.551 10 0 BDAERO Nc1cc(C(=O)NCCC[NH3+])ccc1Cl ZINC000041043488 181382516 /nfs/dbraw/zinc/38/25/16/181382516.db2.gz PMHTULNYHXLDTE-UHFFFAOYSA-N 1 0 227.695 1.001 10 0 BDAERO [NH3+]CCCNC(=O)c1cccc2ccccc21 ZINC000019429759 181382593 /nfs/dbraw/zinc/38/25/93/181382593.db2.gz CUCLLVDQDDQGGJ-UHFFFAOYSA-N 1 0 228.295 1.918 10 0 BDAERO [NH3+]CCCNCc1nc(Cc2ccccc2)no1 ZINC000051355879 181383966 /nfs/dbraw/zinc/38/39/66/181383966.db2.gz ULMQSUKYNWYEPX-UHFFFAOYSA-N 1 0 246.314 1.099 10 0 BDAERO Nc1cc(F)ccc1SCCC[NH3+] ZINC000048686941 181384970 /nfs/dbraw/zinc/38/49/70/181384970.db2.gz WBEXFDMHHNTPSW-UHFFFAOYSA-N 1 0 200.282 1.849 10 0 BDAERO [NH3+]CCCOc1ncnc2sccc21 ZINC000051870515 181385016 /nfs/dbraw/zinc/38/50/16/181385016.db2.gz MKXYBUYISKIWEM-UHFFFAOYSA-N 1 0 209.274 1.419 10 0 BDAERO [NH3+]CCCOc1ncccc1Br ZINC000051870790 181385069 /nfs/dbraw/zinc/38/50/69/181385069.db2.gz PNQDLJODAUWKNF-UHFFFAOYSA-N 1 0 231.093 1.572 10 0 BDAERO [NH3+]CCC[S@@](=O)c1ccc(F)cc1F ZINC000040954860 181385859 /nfs/dbraw/zinc/38/58/59/181385859.db2.gz ZLYQGLHMZNXFKM-AWEZNQCLSA-N 1 0 219.256 1.421 10 0 BDAERO [NH3+]CCCc1nc(-c2cccc(F)c2)n[nH]1 ZINC000061844170 181386651 /nfs/dbraw/zinc/38/66/51/181386651.db2.gz LYEFRAHIMDFOOY-UHFFFAOYSA-N 1 0 220.251 1.502 10 0 BDAERO [NH3+]CCCc1nc2c(s1)CSCC2 ZINC000054139432 181386898 /nfs/dbraw/zinc/38/68/98/181386898.db2.gz SDHJQTVXAZVYQV-UHFFFAOYSA-N 1 0 214.359 1.824 10 0 BDAERO [NH3+]CCCc1nc2cc(Cl)cnc2o1 ZINC000071485484 181387215 /nfs/dbraw/zinc/38/72/15/181387215.db2.gz ZZQJXGWXCOPYTF-UHFFFAOYSA-N 1 0 211.652 1.768 10 0 BDAERO [NH3+]CCCc1nc(-c2ccccc2)c[nH]1 ZINC000036876245 181387237 /nfs/dbraw/zinc/38/72/37/181387237.db2.gz NWCIXEXLMHENHQ-UHFFFAOYSA-N 1 0 201.273 1.968 10 0 BDAERO [NH3+]CCCc1noc(-c2cc(F)cc(F)c2)n1 ZINC000054139093 181388029 /nfs/dbraw/zinc/38/80/29/181388029.db2.gz HPGYGILSLYBFOH-UHFFFAOYSA-N 1 0 239.225 1.906 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccc3c(c2)CCO3)o1 ZINC000050892695 181388236 /nfs/dbraw/zinc/38/82/36/181388236.db2.gz GMJHUSSRKUQXEG-UHFFFAOYSA-N 1 0 245.282 1.563 10 0 BDAERO CCn1c(C)nnc1COc1cccc(C[NH3+])c1 ZINC000574269551 365022929 /nfs/dbraw/zinc/02/29/29/365022929.db2.gz BSJJBTAPEDBVSY-UHFFFAOYSA-N 1 0 246.314 1.644 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2nccs2)C1 ZINC000238583882 181391812 /nfs/dbraw/zinc/39/18/12/181391812.db2.gz NHEIEOZGDIISLY-VIFPVBQESA-N 1 0 211.334 1.281 10 0 BDAERO [NH3+]CCN(Cc1ccccc1)c1ncccn1 ZINC000038033126 181390835 /nfs/dbraw/zinc/39/08/35/181390835.db2.gz ODZXBDNEXMJYIZ-UHFFFAOYSA-N 1 0 228.299 1.442 10 0 BDAERO Nc1ccccc1N(CC[NH3+])c1ccccc1N ZINC000095932058 181391014 /nfs/dbraw/zinc/39/10/14/181391014.db2.gz HSFAHTGCVMHBTB-UHFFFAOYSA-N 1 0 242.326 1.948 10 0 BDAERO [NH3+]CCN(C(=O)NC1CCCCC1)C1CC1 ZINC000041056857 181391082 /nfs/dbraw/zinc/39/10/82/181391082.db2.gz TUZPPEVHRMPNRC-UHFFFAOYSA-N 1 0 225.336 1.452 10 0 BDAERO [NH3+]CC[C@@H](N1CCCCC1)C(F)(F)F ZINC000037178300 181402997 /nfs/dbraw/zinc/40/29/97/181402997.db2.gz SLRLQGNUFRRBSB-MRVPVSSYSA-N 1 0 210.243 1.752 10 0 BDAERO [NH3+]CCN[C@H]1CCCc2cc(O)ccc21 ZINC000044747338 181397377 /nfs/dbraw/zinc/39/73/77/181397377.db2.gz ISUKJILLTWUFQC-LBPRGKRZSA-N 1 0 206.289 1.318 10 0 BDAERO [NH3+]CCNCc1cccc(C(F)(F)F)c1 ZINC000037712271 181397650 /nfs/dbraw/zinc/39/76/50/181397650.db2.gz WIIHYNOPIXIBFD-UHFFFAOYSA-N 1 0 218.222 1.754 10 0 BDAERO Nc1ccc(NCC[NH3+])c2cccnc12 ZINC000052815339 181398167 /nfs/dbraw/zinc/39/81/67/181398167.db2.gz JQIALWHRBOFGGN-UHFFFAOYSA-N 1 0 202.261 1.188 10 0 BDAERO [NH3+]CCNc1nccc2cc3c(cc21)OCCO3 ZINC000082766395 181398438 /nfs/dbraw/zinc/39/84/38/181398438.db2.gz YDOZHADWACUERR-UHFFFAOYSA-N 1 0 245.282 1.377 10 0 BDAERO Nc1cc(Br)ccc1NCC[NH3+] ZINC000052815291 181398468 /nfs/dbraw/zinc/39/84/68/181398468.db2.gz CXNBRPRTCWPLHC-UHFFFAOYSA-N 1 0 230.109 1.402 10 0 BDAERO [NH3+]CCNc1nc2ccc(F)cc2s1 ZINC000062201960 181398583 /nfs/dbraw/zinc/39/85/83/181398583.db2.gz MZYVPISKPWULAX-UHFFFAOYSA-N 1 0 211.265 1.806 10 0 BDAERO [NH3+]CCOCc1ccc(Br)o1 ZINC000051864432 181399323 /nfs/dbraw/zinc/39/93/23/181399323.db2.gz OSRHSCBVSVYRFM-UHFFFAOYSA-N 1 0 220.066 1.517 10 0 BDAERO [NH3+]CCOCCOc1ccc(F)cc1F ZINC000041229484 181399545 /nfs/dbraw/zinc/39/95/45/181399545.db2.gz VIYYWEPONAQGNC-UHFFFAOYSA-N 1 0 217.215 1.319 10 0 BDAERO [NH3+]CCSc1no[n+]([O-])c1-c1ccccc1 ZINC000027523629 181402407 /nfs/dbraw/zinc/40/24/07/181402407.db2.gz REIQEGLUEKMRRM-UHFFFAOYSA-N 1 0 237.284 1.026 10 0 BDAERO [NH3+]CC[C@H](O)c1cnc2ccccc2c1 ZINC000083284087 181408019 /nfs/dbraw/zinc/40/80/19/181408019.db2.gz SGWLDVURRROLIW-LBPRGKRZSA-N 1 0 202.257 1.617 10 0 BDAERO [NH3+]CCc1nc(-c2ccc3c(c2)OCCO3)c[nH]1 ZINC000036876277 181413910 /nfs/dbraw/zinc/41/39/10/181413910.db2.gz PRPQEHYXRQHIBC-UHFFFAOYSA-N 1 0 245.282 1.349 10 0 BDAERO [NH3+]CCc1nnc(-c2ccccc2F)s1 ZINC000057515625 181414356 /nfs/dbraw/zinc/41/43/56/181414356.db2.gz FPXQUIVFGFQLRI-UHFFFAOYSA-N 1 0 223.276 1.845 10 0 BDAERO CCc1nnc(C[NH2+][C@H](C)C(C)(C)C)n1C ZINC000172263305 365305568 /nfs/dbraw/zinc/30/55/68/365305568.db2.gz GPNCQVYUTYCINV-SECBINFHSA-N 1 0 224.352 1.902 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)CC2CCC2)C1 ZINC000173045802 365398928 /nfs/dbraw/zinc/39/89/28/365398928.db2.gz UCSBBJIBPVSSRX-NSHDSACASA-N 1 0 210.321 1.339 10 0 BDAERO CCc1cnc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000576044405 365461058 /nfs/dbraw/zinc/46/10/58/365461058.db2.gz SGBPNIYXXACTFP-WCQGTBRESA-N 1 0 235.331 1.406 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675057250 541463053 /nfs/dbraw/zinc/46/30/53/541463053.db2.gz ZHHPXWDGVOIEPF-WOPDTQHZSA-N 1 0 224.348 1.489 10 0 BDAERO CCCNC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056290 541462523 /nfs/dbraw/zinc/46/25/23/541462523.db2.gz NXFQJQSQNPUMAV-ZYHUDNBSSA-N 1 0 225.336 1.309 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCOCC1CC1 ZINC000379905060 365509251 /nfs/dbraw/zinc/50/92/51/365509251.db2.gz JRGQMBJQHPJIRP-NSHDSACASA-N 1 0 215.337 1.410 10 0 BDAERO C[C@@H]([NH3+])[C@H]1COc2c(F)cc(F)cc2C1 ZINC000675063799 541465152 /nfs/dbraw/zinc/46/51/52/541465152.db2.gz PAKHUUFJPJWQHD-HTRCEHHLSA-N 1 0 213.227 1.863 10 0 BDAERO CC(=O)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000685947529 541496879 /nfs/dbraw/zinc/49/68/79/541496879.db2.gz OYBXSFMBJKMTMO-YNEHKIRRSA-N 1 0 222.332 1.387 10 0 BDAERO CC[C@H]1[C@@H](C)CNc2nc(CCC[NH3+])nn21 ZINC000234079092 541510893 /nfs/dbraw/zinc/51/08/93/541510893.db2.gz LCVJGMMIIIVKQQ-IUCAKERBSA-N 1 0 223.324 1.182 10 0 BDAERO CCc1cn2c([nH+]1)NCC[C@@H]2C(OC)OC ZINC000234177748 541511985 /nfs/dbraw/zinc/51/19/85/541511985.db2.gz IBVXDHGVAYOVAR-SECBINFHSA-N 1 0 225.292 1.421 10 0 BDAERO CCOC(=O)[C@H]1CNc2[nH+]c(C)cn2[C@@H]1C ZINC000233692647 541509682 /nfs/dbraw/zinc/50/96/82/541509682.db2.gz KGVIRYGYDVMJJT-BDAKNGLRSA-N 1 0 223.276 1.357 10 0 BDAERO Cc1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000579814647 367018014 /nfs/dbraw/zinc/01/80/14/367018014.db2.gz ABGNSLUFJQUQCB-ZDUSSCGKSA-N 1 0 232.331 1.365 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000366958028 367077368 /nfs/dbraw/zinc/07/73/68/367077368.db2.gz IODZZLZAHKRPLJ-JHJVBQTASA-N 1 0 249.358 1.925 10 0 BDAERO CC(C)Oc1cncc(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000381556860 367430256 /nfs/dbraw/zinc/43/02/56/367430256.db2.gz HEEVJDUHLNZGJG-IUCAKERBSA-N 1 0 224.308 1.411 10 0 BDAERO CCc1nc(C)cc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382518485 367532334 /nfs/dbraw/zinc/53/23/34/367532334.db2.gz SGWJWOORXNHFQF-QWRGUYRKSA-N 1 0 234.347 1.309 10 0 BDAERO CCc1nc(C)cc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382518486 367532400 /nfs/dbraw/zinc/53/24/00/367532400.db2.gz SGWJWOORXNHFQF-WDEREUQCSA-N 1 0 234.347 1.309 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)CCCOC(C)C ZINC000382773081 367554191 /nfs/dbraw/zinc/55/41/91/367554191.db2.gz BDXFHOGTIVFHON-LBPRGKRZSA-N 1 0 217.353 1.894 10 0 BDAERO [NH3+]CC[C@H](Nc1ccncc1Cl)C(F)F ZINC000383423663 367620959 /nfs/dbraw/zinc/62/09/59/367620959.db2.gz BEFPFUXNKUURRV-QMMMGPOBSA-N 1 0 235.665 1.551 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCCC(=O)NC1CC1 ZINC000384140313 367673374 /nfs/dbraw/zinc/67/33/74/367673374.db2.gz MTNLTBYNDCUCLR-NSHDSACASA-N 1 0 242.363 1.042 10 0 BDAERO CC(C)C1(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000384243467 367680534 /nfs/dbraw/zinc/68/05/34/367680534.db2.gz JRVCJXNABGXZRB-NWDGAFQWSA-N 1 0 238.375 1.927 10 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1.633 10 0 BDAERO Cc1cnc(N[C@H](C)CCC[NH3+])nc1C ZINC000386489937 367980891 /nfs/dbraw/zinc/98/08/91/367980891.db2.gz SBNIHHKRXAQPLX-SECBINFHSA-N 1 0 208.309 1.633 10 0 BDAERO C[NH2+]C[C@H]1CCN(C)[C@H]1c1cncs1 ZINC000252775495 368061421 /nfs/dbraw/zinc/06/14/21/368061421.db2.gz XFVRBMMWRQSIIZ-PSASIEDQSA-N 1 0 211.334 1.355 10 0 BDAERO Cc1cc(C)nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000386711317 368012366 /nfs/dbraw/zinc/01/23/66/368012366.db2.gz UYAJZZGYOZTTOS-BETUJISGSA-N 1 0 246.358 1.529 10 0 BDAERO CC[C@@H]1CSC[C@@H]([C@H]2CCOC2)[NH2+]1 ZINC000252823854 368160168 /nfs/dbraw/zinc/16/01/68/368160168.db2.gz COALYNCZGFUTNS-AEJSXWLSSA-N 1 0 201.335 1.507 10 0 BDAERO CC[NH2+][C@H](C)CN=c1[nH]c2ccccc2o1 ZINC000387435475 368181145 /nfs/dbraw/zinc/18/11/45/368181145.db2.gz JIZMJEODWSENFF-SECBINFHSA-N 1 0 219.288 1.660 10 0 BDAERO CC[C@H]1[NH2+]CCN2CCNc3cccc1c32 ZINC000224576925 368366587 /nfs/dbraw/zinc/36/65/87/368366587.db2.gz HNLIMMSHVOFTQG-LLVKDONJSA-N 1 0 217.316 1.973 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1cccc(OCCF)c1 ZINC000224774500 368367710 /nfs/dbraw/zinc/36/77/10/368367710.db2.gz NMECLXIIODCCGP-LLVKDONJSA-N 1 0 241.262 1.598 10 0 BDAERO O=C1N[C@@H](c2ccccc2)CN1C1CC[NH2+]CC1 ZINC000141752490 368347951 /nfs/dbraw/zinc/34/79/51/368347951.db2.gz XNIDTJCFIHOYOD-CYBMUJFWSA-N 1 0 245.326 1.505 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000101639857 368381363 /nfs/dbraw/zinc/38/13/63/368381363.db2.gz RHHMXWYRZLDZNM-TUAOUCFPSA-N 1 0 214.353 1.341 10 0 BDAERO COc1ccc(F)c2c1ccnc2C[NH3+] ZINC000074187115 368381392 /nfs/dbraw/zinc/38/13/92/368381392.db2.gz IUODAOXGAMBYHQ-UHFFFAOYSA-N 1 0 206.220 1.841 10 0 BDAERO C[C@@H](NC1=[NH+][C@H](C)CS1)[C@H]1CCOC1 ZINC000253058952 368418428 /nfs/dbraw/zinc/41/84/28/368418428.db2.gz BXOFGVXCJUVDAM-HLTSFMKQSA-N 1 0 214.334 1.492 10 0 BDAERO Cc1ncc([C@@H](C[NH3+])c2ccncc2)cn1 ZINC000107155129 368466126 /nfs/dbraw/zinc/46/61/26/368466126.db2.gz ZXIOMYHPVISDLH-LBPRGKRZSA-N 1 0 214.272 1.271 10 0 BDAERO CN(CCC[NH3+])c1nccc(C(F)(F)F)n1 ZINC000081586115 368608282 /nfs/dbraw/zinc/60/82/82/368608282.db2.gz OBYMWAHFOMMQLI-UHFFFAOYSA-N 1 0 234.225 1.280 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)CCc1ccco1 ZINC000082590105 368696309 /nfs/dbraw/zinc/69/63/09/368696309.db2.gz WSSJMUXGRCAWMZ-JTQLQIEISA-N 1 0 222.288 1.162 10 0 BDAERO CC1(C)[C@@H]([NH2+]Cc2cc[nH]n2)[C@@H]2CCO[C@@H]21 ZINC000082944262 368725489 /nfs/dbraw/zinc/72/54/89/368725489.db2.gz MIKUCJCXIQAIKM-DCAQKATOSA-N 1 0 221.304 1.313 10 0 BDAERO Cc1nsc(NCc2ccc(C[NH3+])cc2)n1 ZINC000083647644 368799407 /nfs/dbraw/zinc/79/94/07/368799407.db2.gz PLWRIHYZVBWODT-UHFFFAOYSA-N 1 0 234.328 1.917 10 0 BDAERO Cc1ccc(C(=O)N2CCC[C@H]2C[NH3+])c(O)c1 ZINC000111366252 368857197 /nfs/dbraw/zinc/85/71/97/368857197.db2.gz JKEXLURNTGXVLH-JTQLQIEISA-N 1 0 234.299 1.264 10 0 BDAERO C[C@@H]1CN(c2ncnc3ccccc32)[C@@H](C)C[NH2+]1 ZINC000086471405 368881419 /nfs/dbraw/zinc/88/14/19/368881419.db2.gz GHGUDXLUWJNPHP-MNOVXSKESA-N 1 0 242.326 1.816 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1 ZINC000087129805 368889248 /nfs/dbraw/zinc/88/92/48/368889248.db2.gz LPHUYFUEIFVZNO-GRYCIOLGSA-N 1 0 207.317 1.977 10 0 BDAERO O=c1[nH]cnc2c([C@H]3CCC[NH2+]3)c[nH]c21 ZINC000087613267 368894781 /nfs/dbraw/zinc/89/47/81/368894781.db2.gz WPUMIMDPPOFANW-SSDOTTSWSA-N 1 0 204.233 1.088 10 0 BDAERO CCC(CC)(C[NH3+])NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000088142138 368905569 /nfs/dbraw/zinc/90/55/69/368905569.db2.gz ATVFOCQJYNXMEA-UWVGGRQHSA-N 1 0 228.336 1.188 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000090310352 368977559 /nfs/dbraw/zinc/97/75/59/368977559.db2.gz CDHBRVNVAGHVFF-NXEZZACHSA-N 1 0 236.315 1.480 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1sccc1Cl ZINC000623766313 369001756 /nfs/dbraw/zinc/00/17/56/369001756.db2.gz DJCJWSOWRQXCGI-BDAKNGLRSA-N 1 0 247.747 1.641 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623766504 369028495 /nfs/dbraw/zinc/02/84/95/369028495.db2.gz HMZADIVTFUGQGJ-LPWJVIDDSA-N 1 0 227.348 1.552 10 0 BDAERO [NH3+]C[C@@H]1CNc2ccc(Br)cc21 ZINC000071483762 181438070 /nfs/dbraw/zinc/43/80/70/181438070.db2.gz ICDPFEIRIGFUKB-ZCFIWIBFSA-N 1 0 227.105 1.917 10 0 BDAERO CC(C)[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616583036 369096821 /nfs/dbraw/zinc/09/68/21/369096821.db2.gz BPWLXZIQZXZSGH-CYBMUJFWSA-N 1 0 219.332 1.902 10 0 BDAERO [NH3+]C[C@H](Sc1nc[nH]n1)c1ccccc1 ZINC000042900252 181452391 /nfs/dbraw/zinc/45/23/91/181452391.db2.gz WUFYOGWWSMBZEY-VIFPVBQESA-N 1 0 220.301 1.597 10 0 BDAERO [NH3+]C[C@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000019669418 181456117 /nfs/dbraw/zinc/45/61/17/181456117.db2.gz PKLSAPRQNMRXRI-CYBMUJFWSA-N 1 0 232.327 1.426 10 0 BDAERO CNc1cccc([C@@H]2CN(CC[NH3+])CCCO2)c1 ZINC000616678034 369110335 /nfs/dbraw/zinc/11/03/35/369110335.db2.gz CZMRWGVMEBTSSK-AWEZNQCLSA-N 1 0 249.358 1.450 10 0 BDAERO [NH3+]C[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000071521125 181450601 /nfs/dbraw/zinc/45/06/01/181450601.db2.gz UMPINFRWSOGSRY-SECBINFHSA-N 1 0 219.206 1.568 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cnoc1 ZINC000616692406 369114343 /nfs/dbraw/zinc/11/43/43/369114343.db2.gz QEURUUQBDUNQTD-AWEZNQCLSA-N 1 0 243.310 1.581 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cc[nH]n1 ZINC000616691751 369114448 /nfs/dbraw/zinc/11/44/48/369114448.db2.gz MKAZRRBEZYNBEB-CYBMUJFWSA-N 1 0 243.314 1.342 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](COc2ccccc2F)O1 ZINC000052663805 181466015 /nfs/dbraw/zinc/46/60/15/181466015.db2.gz DNWXKFYVIXVUBH-ZJUUUORDSA-N 1 0 225.263 1.711 10 0 BDAERO [NH3+]Cc1cc(O)cc(I)c1 ZINC000095762065 181477415 /nfs/dbraw/zinc/47/74/15/181477415.db2.gz RCFSQMWWMBBXNR-UHFFFAOYSA-N 1 0 249.051 1.456 10 0 BDAERO C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000106882226 369214329 /nfs/dbraw/zinc/21/43/29/369214329.db2.gz NQKZTBMQRKGRQS-VIFPVBQESA-N 1 0 203.644 1.732 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000106882228 369206961 /nfs/dbraw/zinc/20/69/61/369206961.db2.gz NQKZTBMQRKGRQS-SECBINFHSA-N 1 0 203.644 1.732 10 0 BDAERO C[NH2+]C[C@H](O)c1cccc(O)c1Cl ZINC000106879998 369210361 /nfs/dbraw/zinc/21/03/61/369210361.db2.gz PJRUMEPABBPKDG-QMMMGPOBSA-N 1 0 201.653 1.298 10 0 BDAERO OCCN1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000108117693 369376569 /nfs/dbraw/zinc/37/65/69/369376569.db2.gz FGEQCSRXJPLVTE-ZDUSSCGKSA-N 1 0 226.364 1.365 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108539108 369396927 /nfs/dbraw/zinc/39/69/27/369396927.db2.gz VSRGWJNVNXDWNV-RYUDHWBXSA-N 1 0 241.379 1.672 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108539111 369397209 /nfs/dbraw/zinc/39/72/09/369397209.db2.gz VSRGWJNVNXDWNV-VXGBXAGGSA-N 1 0 241.379 1.672 10 0 BDAERO CC(C)(C)CC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404031986 369417678 /nfs/dbraw/zinc/41/76/78/369417678.db2.gz XJSBOXJAXAARCR-GHMZBOCLSA-N 1 0 240.347 1.012 10 0 BDAERO C(C1CCCC1)[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404189322 369422621 /nfs/dbraw/zinc/42/26/21/369422621.db2.gz GZUPUTQFPDSGDE-CHWSQXEVSA-N 1 0 224.348 1.239 10 0 BDAERO CCC[C@H](C)C[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404230092 369424309 /nfs/dbraw/zinc/42/43/09/369424309.db2.gz PREMISMQDCVHHK-RWMBFGLXSA-N 1 0 226.364 1.485 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)CC(C)(C)OC ZINC000404283529 369425356 /nfs/dbraw/zinc/42/53/56/369425356.db2.gz UBMRPLTXHHXTJQ-GFCCVEGCSA-N 1 0 247.379 1.521 10 0 BDAERO [NH3+]Cc1ccc(N(CCO)C2CCCC2)nc1 ZINC000042482777 181483558 /nfs/dbraw/zinc/48/35/58/181483558.db2.gz WTKFJJLJCSACQL-UHFFFAOYSA-N 1 0 235.331 1.282 10 0 BDAERO CSC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252688185 370114478 /nfs/dbraw/zinc/11/44/78/370114478.db2.gz NLTPNOMEHQWQJL-LPEHRKFASA-N 1 0 230.377 1.229 10 0 BDAERO CC[NH+](CC)CCNC(=O)N[C@H]1C[C@@H]1C ZINC000076049740 370206861 /nfs/dbraw/zinc/20/68/61/370206861.db2.gz GHTURNDGPYADTA-UWVGGRQHSA-N 1 0 213.325 1.036 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000076053618 370207586 /nfs/dbraw/zinc/20/75/86/370207586.db2.gz YELSEXBMXHSNRX-NEPJUHHUSA-N 1 0 239.363 1.570 10 0 BDAERO Cn1ccc(C[NH2+]CC[C@@H]2CCCO2)n1 ZINC000112340592 370285902 /nfs/dbraw/zinc/28/59/02/370285902.db2.gz PSPCJVRHVFUIRL-NSHDSACASA-N 1 0 209.293 1.079 10 0 BDAERO CC1CC(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000621672599 370424773 /nfs/dbraw/zinc/42/47/73/370424773.db2.gz LUJDGNCRZYPETR-HCWSGVFWSA-N 1 0 224.348 1.666 10 0 BDAERO C[N@@H+]1CC[C@H](c2cccc(CCO)c2)C1 ZINC000215289060 370417656 /nfs/dbraw/zinc/41/76/56/370417656.db2.gz XDXKSNYIOVVUFI-ZDUSSCGKSA-N 1 0 205.301 1.641 10 0 BDAERO C[N@@H+]1CC[C@@H](c2cccc(CCO)c2)C1 ZINC000215289105 370417670 /nfs/dbraw/zinc/41/76/70/370417670.db2.gz XDXKSNYIOVVUFI-CYBMUJFWSA-N 1 0 205.301 1.641 10 0 BDAERO OCCc1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000215286900 370417697 /nfs/dbraw/zinc/41/76/97/370417697.db2.gz JQBIPRJEEGSTAM-CYBMUJFWSA-N 1 0 205.301 1.688 10 0 BDAERO CC1(C)[N+]([O-])=CC(c2ccccc2)=[N+](O)C1(C)C ZINC000225408823 370550851 /nfs/dbraw/zinc/55/08/51/370550851.db2.gz DIQHTNHJFZVETK-UHFFFAOYSA-N 1 0 248.326 1.921 10 0 BDAERO c1ncn2c1C[NH2+]C[C@H]2COCc1ccncc1 ZINC000247917711 259545898 /nfs/dbraw/zinc/54/58/98/259545898.db2.gz ZRTGGEQWQLNIQV-ZDUSSCGKSA-N 1 0 244.298 1.139 10 0 BDAERO O=C1CCC[C@@H]([N@@H+]2CCC[C@@H](CO)C2)C1 ZINC000225423264 370609085 /nfs/dbraw/zinc/60/90/85/370609085.db2.gz IKLBEDOXHOCBSO-GHMZBOCLSA-N 1 0 211.305 1.202 10 0 BDAERO c1cc(CN(C[C@@H]2CCC[NH2+]2)C2CC2)no1 ZINC000328607700 371131050 /nfs/dbraw/zinc/13/10/50/371131050.db2.gz WQODWJWSMGPQRF-JTQLQIEISA-N 1 0 221.304 1.391 10 0 BDAERO [NH3+][C@@H](Cc1nccs1)c1cccnc1 ZINC000036279142 181560099 /nfs/dbraw/zinc/56/00/99/181560099.db2.gz XIZRJHQVCTYTGG-VIFPVBQESA-N 1 0 205.286 1.781 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)OC2CCOCC2)C1 ZINC000070502606 181583238 /nfs/dbraw/zinc/58/32/38/181583238.db2.gz ZGXCWZKHJYPRGT-VHSXEESVSA-N 1 0 227.304 1.226 10 0 BDAERO [NH3+][C@@H]1CCOC[C@H]1Oc1ccc(F)cc1F ZINC000038136722 181590179 /nfs/dbraw/zinc/59/01/79/181590179.db2.gz JMWDRHRMUCTXET-MWLCHTKSSA-N 1 0 229.226 1.460 10 0 BDAERO [NH3+][C@@H]1CCc2cc(Cl)ccc2NC1=O ZINC000039433404 181595093 /nfs/dbraw/zinc/59/50/93/181595093.db2.gz FWMRQZJBZPWMLY-MRVPVSSYSA-N 1 0 210.664 1.552 10 0 BDAERO [NH3+][C@@H]1CN(CC(F)F)C[C@H]1c1ccccc1 ZINC000231128000 181596266 /nfs/dbraw/zinc/59/62/66/181596266.db2.gz AATZNGBNRUQKKM-WDEREUQCSA-N 1 0 226.270 1.678 10 0 BDAERO [NH3+][C@H](Cc1ccc(O)cc1)c1nnc2n1CCC2 ZINC000036896126 181624760 /nfs/dbraw/zinc/62/47/60/181624760.db2.gz VNIBPAJRUKZHON-LLVKDONJSA-N 1 0 244.298 1.172 10 0 BDAERO [NH3+][C@H]1CCOC[C@@H]1Oc1cc(F)cc(F)c1 ZINC000054932721 181653619 /nfs/dbraw/zinc/65/36/19/181653619.db2.gz KFLNGRDICWNDJA-QWRGUYRKSA-N 1 0 229.226 1.460 10 0 BDAERO [NH3+][C@H]1CC(=O)N(Cc2cccc(Cl)c2)C1 ZINC000053160838 181639109 /nfs/dbraw/zinc/63/91/09/181639109.db2.gz DPVHCSMHBCOLCH-JTQLQIEISA-N 1 0 224.691 1.400 10 0 BDAERO [NH3+][C@H]1CCC(=O)N[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070824437 181640364 /nfs/dbraw/zinc/64/03/64/181640364.db2.gz KCZIIACWAPXHHE-GXSJLCMTSA-N 1 0 242.681 1.758 10 0 BDAERO 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ZINC000132208169 371766731 /nfs/dbraw/zinc/76/67/31/371766731.db2.gz BINNCWZIIATSRC-UHFFFAOYSA-N 1 0 221.304 1.047 10 0 BDAERO Cc1cccc([S@](=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000227049965 371773650 /nfs/dbraw/zinc/77/36/50/371773650.db2.gz KTQPAGDBBCDGFS-IMSIIYSGSA-N 1 0 211.330 1.838 10 0 BDAERO C[C@@H]1CN(CCF)[C@@H](C(C)(C)C)C[NH2+]1 ZINC000227323611 371833961 /nfs/dbraw/zinc/83/39/61/371833961.db2.gz JHEBQVZENVXIID-NXEZZACHSA-N 1 0 202.317 1.664 10 0 BDAERO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(N)=S ZINC000132408976 371815096 /nfs/dbraw/zinc/81/50/96/371815096.db2.gz AEOTXLCBLJRTSE-RQJHMYQMSA-N 1 0 204.364 1.098 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000227244531 371815465 /nfs/dbraw/zinc/81/54/65/371815465.db2.gz ARKNFSZHYXFGOE-GUBZILKMSA-N 1 0 201.335 1.636 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@](F)(c2ccsn2)C1 ZINC000401826280 371823246 /nfs/dbraw/zinc/82/32/46/371823246.db2.gz DISFPDMHANBSQG-IONNQARKSA-N 1 0 200.282 1.937 10 0 BDAERO C[NH2+]C(C)(C)CN1CCS[C@H](C)[C@H]1C 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/nfs/dbraw/zinc/02/75/74/372027574.db2.gz PDAXEPDZZAHJBJ-UHFFFAOYSA-N 1 0 206.274 1.101 10 0 BDAERO [NH3+][C@H](Cc1ccccn1)[C@@H]1CCSC1 ZINC000163705903 372035270 /nfs/dbraw/zinc/03/52/70/372035270.db2.gz HUQWYWIIXPHTJE-MWLCHTKSSA-N 1 0 208.330 1.705 10 0 BDAERO C[C@@H](NC(=O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000306594010 372041435 /nfs/dbraw/zinc/04/14/35/372041435.db2.gz XGBMHLADCTWATP-SSDOTTSWSA-N 1 0 238.253 1.395 10 0 BDAERO CC(C)(C[NH3+])Nc1cnc(Cl)cn1 ZINC000306616181 372047233 /nfs/dbraw/zinc/04/72/33/372047233.db2.gz PWORXCBBJUQYTI-UHFFFAOYSA-N 1 0 200.673 1.279 10 0 BDAERO C[NH2+][C@@H](C)[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000133225166 372009504 /nfs/dbraw/zinc/00/95/04/372009504.db2.gz QRGZLPQGAOYNPC-ZRUFSTJUSA-N 1 0 200.326 1.092 10 0 BDAERO C[C@@H]1Cc2nc(CC[NH3+])sc2[C@H](C)O1 ZINC000133501297 372064099 /nfs/dbraw/zinc/06/40/99/372064099.db2.gz OBOKMDZYPGXHCN-RQJHMYQMSA-N 1 0 212.318 1.667 10 0 BDAERO CSC(C)(C)CN1CCC[C@@H]([NH3+])C1=O ZINC000229139302 372122545 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QZWMSNBBZRSUIX-JGVFFNPUSA-N 1 0 216.331 1.275 10 0 BDAERO Cn1ncc([C@H]([NH3+])C2CCC2)c1Br ZINC000307220835 372098631 /nfs/dbraw/zinc/09/86/31/372098631.db2.gz IGDSNFPYQCKUGU-MRVPVSSYSA-N 1 0 244.136 1.983 10 0 BDAERO C[NH2+]CC[S@@](=O)COCc1ccccc1 ZINC000307473963 372123234 /nfs/dbraw/zinc/12/32/34/372123234.db2.gz INWNMKKEEZSOHC-OAHLLOKOSA-N 1 0 227.329 1.129 10 0 BDAERO C[C@@H]1CC[NH2+][C@](C)([C@@H]2CCOC2)S1 ZINC000229666052 372179554 /nfs/dbraw/zinc/17/95/54/372179554.db2.gz QOEVWZOYLLPPKM-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO CN1CCC[C@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000134291957 372192482 /nfs/dbraw/zinc/19/24/82/372192482.db2.gz QFSYORYIVHJZSG-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)N1CCC2(CCC2)C1 ZINC000336109497 181925630 /nfs/dbraw/zinc/92/56/30/181925630.db2.gz JTSMUUIWOMSRHZ-GFCCVEGCSA-N 1 0 236.359 1.921 10 0 BDAERO Cc1nocc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836799 372625112 /nfs/dbraw/zinc/62/51/12/372625112.db2.gz HBRXHNLQVOBOFE-WCBMZHEXSA-N 1 0 209.293 1.010 10 0 BDAERO C[C@@H]1CN(Cc2cscn2)C[C@@H]1C[NH3+] ZINC000631841164 372639160 /nfs/dbraw/zinc/63/91/60/372639160.db2.gz YYNMAWPCQPYAPE-BDAKNGLRSA-N 1 0 211.334 1.170 10 0 BDAERO O=C(COC[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095072881 181998545 /nfs/dbraw/zinc/99/85/45/181998545.db2.gz LCPDNXVQPQUMTM-SNVBAGLBSA-N 1 0 222.288 1.214 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCCSCC1 ZINC000054308916 182028128 /nfs/dbraw/zinc/02/81/28/182028128.db2.gz KZXUKADBMSJYQO-LLVKDONJSA-N 1 0 242.388 1.342 10 0 BDAERO CC[C@H](C)[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000172694162 373049497 /nfs/dbraw/zinc/04/94/97/373049497.db2.gz JAEGODIHOIBTAR-QWHCGFSZSA-N 1 0 240.391 1.970 10 0 BDAERO C[C@H]([NH3+])[C@](O)(c1ccco1)C(F)(F)F ZINC000068978589 373098864 /nfs/dbraw/zinc/09/88/64/373098864.db2.gz AMCIGFFIMDTFGL-FSPLSTOPSA-N 1 0 209.167 1.377 10 0 BDAERO O=C(N(Cc1ccco1)C1CC1)N1CC[NH2+]CC1 ZINC000042692926 182082529 /nfs/dbraw/zinc/08/25/29/182082529.db2.gz 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245.120 1.960 10 0 BDAERO O=C(NCc1cccc(O)c1)[C@@H]1CCC[NH2+]C1 ZINC000082280832 182254235 /nfs/dbraw/zinc/25/42/35/182254235.db2.gz JKFWVDORXDQJBR-LLVKDONJSA-N 1 0 234.299 1.008 10 0 BDAERO O=C(N[C@@H](c1ccccc1)C1CC1)C1C[NH2+]C1 ZINC000091407053 182287105 /nfs/dbraw/zinc/28/71/05/182287105.db2.gz CMLRUUZIXWARDY-ZDUSSCGKSA-N 1 0 230.311 1.473 10 0 BDAERO O=C(N[C@@H]1CCCc2occc21)[C@@H]1CC[NH2+]C1 ZINC000062116064 182302474 /nfs/dbraw/zinc/30/24/74/182302474.db2.gz RWZOEZWGHOBEFR-MWLCHTKSSA-N 1 0 234.299 1.383 10 0 BDAERO O=C(N[C@H]1CCCc2occc21)C1CC[NH2+]CC1 ZINC000040831759 182335072 /nfs/dbraw/zinc/33/50/72/182335072.db2.gz PMGHRABPNWSOTJ-LBPRGKRZSA-N 1 0 248.326 1.773 10 0 BDAERO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[NH2+]1 ZINC000067184068 182354426 /nfs/dbraw/zinc/35/44/26/182354426.db2.gz ZYQYBRUHVASPPK-MRVPVSSYSA-N 1 0 225.679 1.426 10 0 BDAERO O=C(Nc1ccc2c(c1)COC2)[C@@H]1CCC[NH2+]1 ZINC000182962632 182363523 /nfs/dbraw/zinc/36/35/23/182363523.db2.gz VCMFYUDNSJJSAA-LBPRGKRZSA-N 1 0 232.283 1.407 10 0 BDAERO CC[NH2+]CCOc1cccc(N(C)C)c1 ZINC000032024123 170116845 /nfs/dbraw/zinc/11/68/45/170116845.db2.gz CAYZBWCGAASBDW-UHFFFAOYSA-N 1 0 208.305 1.741 10 0 BDAERO CCOC(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000035735557 170210419 /nfs/dbraw/zinc/21/04/19/170210419.db2.gz LOBCQVNQEYKTIY-VHSXEESVSA-N 1 0 215.293 1.097 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000237943222 182617200 /nfs/dbraw/zinc/61/72/00/182617200.db2.gz DOOFBVFTIWYCBN-TUAOUCFPSA-N 1 0 222.332 1.387 10 0 BDAERO O=C1CC[C@H](C[NH2+]Cc2ccccc2)N1 ZINC000019087848 182751796 /nfs/dbraw/zinc/75/17/96/182751796.db2.gz HPAUTESKHRLFMY-LLVKDONJSA-N 1 0 204.273 1.055 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000050394728 182801673 /nfs/dbraw/zinc/80/16/73/182801673.db2.gz HGKIRBULOLAKKH-GFCCVEGCSA-N 1 0 244.294 1.801 10 0 BDAERO O=[S@@](Cc1cncs1)C[C@H]1CCC[NH2+]1 ZINC000095073583 182963282 /nfs/dbraw/zinc/96/32/82/182963282.db2.gz MPAZOMOQANUQSN-CLAHSXSESA-N 1 0 230.358 1.144 10 0 BDAERO O=[S@@](c1nc2ccccc2[nH]1)[C@@H]1CC[NH2+]C1 ZINC000095072998 182965283 /nfs/dbraw/zinc/96/52/83/182965283.db2.gz VGKHKDFEJZQGLE-BCTVWOGZSA-N 1 0 235.312 1.032 10 0 BDAERO O=[S@](Cc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000095073630 182967110 /nfs/dbraw/zinc/96/71/10/182967110.db2.gz YRHPQAPWTTWONQ-MEDUHNTESA-N 1 0 238.356 1.330 10 0 BDAERO O=c1[nH]c([NH2+]C[C@H]2CCOC2)cc2ccccc21 ZINC000038094696 182970635 /nfs/dbraw/zinc/97/06/35/182970635.db2.gz VUKGGWXJFWDLBC-SNVBAGLBSA-N 1 0 244.294 1.977 10 0 BDAERO O=c1ccn(CC[C@H]2CCCC[NH2+]2)cc1 ZINC000057873933 183003880 /nfs/dbraw/zinc/00/38/80/183003880.db2.gz MVNZJVZBGJGQRA-LLVKDONJSA-N 1 0 206.289 1.381 10 0 BDAERO OC1(CCN2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000335474901 183015046 /nfs/dbraw/zinc/01/50/46/183015046.db2.gz MESUPEWGAJNFAD-GFCCVEGCSA-N 1 0 224.348 1.072 10 0 BDAERO OCC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)COC1 ZINC000336698748 183035890 /nfs/dbraw/zinc/03/58/90/183035890.db2.gz MXBSBHHJCFTPKD-GHMZBOCLSA-N 1 0 231.311 1.113 10 0 BDAERO OCC1([NH2+]C[C@@H]2Cc3ccccc32)CCOCC1 ZINC000230731373 183037827 /nfs/dbraw/zinc/03/78/27/183037827.db2.gz VVZZPYGLBFPLHC-ZDUSSCGKSA-N 1 0 247.338 1.457 10 0 BDAERO OCCCC[NH2+]C1CC(c2ccccn2)C1 ZINC000309584617 183050954 /nfs/dbraw/zinc/05/09/54/183050954.db2.gz RQUVEUIPFWDEQZ-UHFFFAOYSA-N 1 0 220.316 1.690 10 0 BDAERO OCCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043426787 183051398 /nfs/dbraw/zinc/05/13/98/183051398.db2.gz VWYSNSLYPIECLM-NEPJUHHUSA-N 1 0 213.321 1.402 10 0 BDAERO OCCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128687185 183060000 /nfs/dbraw/zinc/06/00/00/183060000.db2.gz LXSRMRZVXADNKH-RYUDHWBXSA-N 1 0 223.320 1.339 10 0 BDAERO OCCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019966590 183088491 /nfs/dbraw/zinc/08/84/91/183088491.db2.gz YXTDDWGIWNQCDN-UHFFFAOYSA-N 1 0 219.284 1.434 10 0 BDAERO OC[C@@H]1CCCC[N@H+](C/C=C/Cl)C1 ZINC000306861205 183115514 /nfs/dbraw/zinc/11/55/14/183115514.db2.gz FKIUXWUBOVECAL-RXNUUUNCSA-N 1 0 203.713 1.833 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336652649 183098613 /nfs/dbraw/zinc/09/86/13/183098613.db2.gz XCYFZGYRCVGXNK-NEPJUHHUSA-N 1 0 213.321 1.117 10 0 BDAERO OCC[C@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000124313874 183099266 /nfs/dbraw/zinc/09/92/66/183099266.db2.gz FUKHCPXUBWQYCH-OLZOCXBDSA-N 1 0 243.347 1.234 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000129147436 183099370 /nfs/dbraw/zinc/09/93/70/183099370.db2.gz FKVXTAROZVRHRQ-CYBMUJFWSA-N 1 0 235.327 1.383 10 0 BDAERO OC[C@H](CC1(CO)CC[NH2+]CC1)c1ccccc1 ZINC000095933429 183136051 /nfs/dbraw/zinc/13/60/51/183136051.db2.gz XZHLZUXWGDZXQY-AWEZNQCLSA-N 1 0 249.354 1.515 10 0 BDAERO CCCCc1ccc(S(=O)(=O)CC[NH3+])cc1 ZINC000036164474 169022517 /nfs/dbraw/zinc/02/25/17/169022517.db2.gz MAVKABPUSIKESX-UHFFFAOYSA-N 1 0 241.356 1.762 10 0 BDAERO CCCCc1nc(Cl)c(C[NH2+]CCCO)[nH]1 ZINC000083374659 169025585 /nfs/dbraw/zinc/02/55/85/169025585.db2.gz KSEKGCZFVYNPAH-UHFFFAOYSA-N 1 0 245.754 1.878 10 0 BDAERO CCCCc1nc(Cl)c(C[NH2+][C@H](C)CO)[nH]1 ZINC000083878470 169025740 /nfs/dbraw/zinc/02/57/40/169025740.db2.gz MTMXUBNCWBGFSD-MRVPVSSYSA-N 1 0 245.754 1.876 10 0 BDAERO OC[C@H](O)C[NH2+][C@H]1CCCc2sccc21 ZINC000077585461 183143718 /nfs/dbraw/zinc/14/37/18/183143718.db2.gz BWOACBNJAYFPKH-SCZZXKLOSA-N 1 0 227.329 1.068 10 0 BDAERO OC[C@H]1CCCC[N@H+](C/C=C/Cl)C1 ZINC000306861199 183147150 /nfs/dbraw/zinc/14/71/50/183147150.db2.gz FKIUXWUBOVECAL-GFAPAMAISA-N 1 0 203.713 1.833 10 0 BDAERO OC[C@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000085576501 183154127 /nfs/dbraw/zinc/15/41/27/183154127.db2.gz PBVULJQJRFZZBL-WCQYABFASA-N 1 0 217.312 1.641 10 0 BDAERO OC[C@H]1[NH2+]CCc2cc(F)cc(Cl)c21 ZINC000075737018 183156417 /nfs/dbraw/zinc/15/64/17/183156417.db2.gz BXSZSLQZCNFQQD-SECBINFHSA-N 1 0 215.655 1.658 10 0 BDAERO CCCN(C(=O)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000037470232 169040674 /nfs/dbraw/zinc/04/06/74/169040674.db2.gz CGDUVEAVXLRUGF-LLVKDONJSA-N 1 0 210.321 1.387 10 0 BDAERO OCc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)o1 ZINC000077204286 183164276 /nfs/dbraw/zinc/16/42/76/183164276.db2.gz PYHDTGWWKWIGPG-ZWNOBZJWSA-N 1 0 239.315 1.413 10 0 BDAERO OCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000087689704 183164320 /nfs/dbraw/zinc/16/43/20/183164320.db2.gz YQPHIIARLZGHCO-ZHAHWJHGSA-N 1 0 223.272 1.181 10 0 BDAERO CCCN(C(=O)NCC)[C@@H]1CCC[NH2+]C1 ZINC000037470280 169043726 /nfs/dbraw/zinc/04/37/26/169043726.db2.gz CLKYDYBGDDKXTG-SNVBAGLBSA-N 1 0 213.325 1.180 10 0 BDAERO O[C@@H](c1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000034429467 183185129 /nfs/dbraw/zinc/18/51/29/183185129.db2.gz HGAXEPJVBQJVSZ-GFCCVEGCSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)Cc1cccc(F)c1 ZINC000071511593 183178171 /nfs/dbraw/zinc/17/81/71/183178171.db2.gz NGDOLFHTNJLAFB-GFCCVEGCSA-N 1 0 209.264 1.481 10 0 BDAERO CCCN(C)C(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055126453 169052036 /nfs/dbraw/zinc/05/20/36/169052036.db2.gz QILZCLIGDRKYJN-QWRGUYRKSA-N 1 0 212.337 1.762 10 0 BDAERO CCCN(C)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055146805 169057968 /nfs/dbraw/zinc/05/79/68/169057968.db2.gz UQULKIPSZQOPNZ-GHMZBOCLSA-N 1 0 212.337 1.620 10 0 BDAERO O[C@@H](C[NH+]1CCCCC1)c1cccnc1 ZINC000062355508 183176484 /nfs/dbraw/zinc/17/64/84/183176484.db2.gz UEQWUPHBWXXMLK-LBPRGKRZSA-N 1 0 206.289 1.601 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000037689912 183196234 /nfs/dbraw/zinc/19/62/34/183196234.db2.gz CXCUVHCZPOSFHA-GHMZBOCLSA-N 1 0 211.330 1.794 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000037489893 183196854 /nfs/dbraw/zinc/19/68/54/183196854.db2.gz RIPLXGJXQLQXAC-CHWSQXEVSA-N 1 0 205.301 1.732 10 0 BDAERO O[C@@H]1CC[NH2+][C@@H]1c1cccc(Br)c1 ZINC000096987604 183200207 /nfs/dbraw/zinc/20/02/07/183200207.db2.gz LIGGHZBXLFEUBA-NXEZZACHSA-N 1 0 242.116 1.844 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]1 ZINC000036160540 183186194 /nfs/dbraw/zinc/18/61/94/183186194.db2.gz RLTPQNMCUMVLMJ-SKDRFNHKSA-N 1 0 221.256 1.201 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000037718336 183189546 /nfs/dbraw/zinc/18/95/46/183189546.db2.gz GVPWFIIGVSWFIH-QWHCGFSZSA-N 1 0 220.316 1.517 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000051769862 183189579 /nfs/dbraw/zinc/18/95/79/183189579.db2.gz ROAMHHYVBVCDLY-UONOGXRCSA-N 1 0 235.327 1.959 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCOC2(CCCC2)C1 ZINC000305663477 183189642 /nfs/dbraw/zinc/18/96/42/183189642.db2.gz HDYMGIRYIIOMIP-QWHCGFSZSA-N 1 0 239.359 1.935 10 0 BDAERO O[C@@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250860474 183192310 /nfs/dbraw/zinc/19/23/10/183192310.db2.gz SKNHKZRADAGNQL-CHWSQXEVSA-N 1 0 217.312 1.783 10 0 BDAERO O[C@H](CCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000071521968 183220154 /nfs/dbraw/zinc/22/01/54/183220154.db2.gz DYSCYQZQXFKBRE-UONOGXRCSA-N 1 0 219.328 1.980 10 0 BDAERO O[C@H](C[NH2+]C1CC1)Cc1ccccc1Cl ZINC000071532623 183222734 /nfs/dbraw/zinc/22/27/34/183222734.db2.gz WPKDEVGTMNYGPH-NSHDSACASA-N 1 0 225.719 1.995 10 0 BDAERO O[C@H](C[NH2+]C1CCCC1)c1ccc2c(c1)OCO2 ZINC000032104393 183223270 /nfs/dbraw/zinc/22/32/70/183223270.db2.gz PPIBRRXUMOIVQP-GFCCVEGCSA-N 1 0 249.310 1.981 10 0 BDAERO O[C@H](C[NH2+]C[C@@H]1CCOC1)c1cccc(F)c1 ZINC000038094595 183223776 /nfs/dbraw/zinc/22/37/76/183223776.db2.gz ROSXCECWCHIJIK-GXFFZTMASA-N 1 0 239.290 1.485 10 0 BDAERO O[C@H](C[NH2+][C@@H]1CCN(C2CC2)C1)c1ccco1 ZINC000070141815 183225215 /nfs/dbraw/zinc/22/52/15/183225215.db2.gz AMLAXXLBHJIUDD-ZYHUDNBSSA-N 1 0 236.315 1.139 10 0 BDAERO CCCN(CC(=O)N(C)C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042424546 169093130 /nfs/dbraw/zinc/09/31/30/169093130.db2.gz IXQWWWFUKYURPW-NWDGAFQWSA-N 1 0 241.379 1.057 10 0 BDAERO O[C@@H]1Cc2ccccc2[C@@H]1CC1=[NH+]CCN1 ZINC000029567620 183213760 /nfs/dbraw/zinc/21/37/60/183213760.db2.gz QGSUYJRWNVAJNC-NWDGAFQWSA-N 1 0 216.284 1.079 10 0 BDAERO O[C@@H]1c2ccccc2OC[C@H]1[NH+]1CCCC1 ZINC000044115186 183214254 /nfs/dbraw/zinc/21/42/54/183214254.db2.gz CSJAXJFXOVITHJ-DGCLKSJQSA-N 1 0 219.284 1.577 10 0 BDAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCc1cn[nH]c1)CC2 ZINC000310989086 183217430 /nfs/dbraw/zinc/21/74/30/183217430.db2.gz VFBGJFNUTOHMHV-ZIAGYGMSSA-N 1 0 249.358 1.579 10 0 BDAERO O[C@H]1COCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000295421685 183244920 /nfs/dbraw/zinc/24/49/20/183244920.db2.gz CLCAQTAQCGITEV-CHWSQXEVSA-N 1 0 233.311 1.019 10 0 BDAERO O[C@H]1c2ccccc2OC[C@@H]1[NH+]1CCCCC1 ZINC000044119617 183250510 /nfs/dbraw/zinc/25/05/10/183250510.db2.gz KUBLZEAOYLPCTH-JSGCOSHPSA-N 1 0 233.311 1.967 10 0 BDAERO O[C@]1(c2cc(F)cc(F)c2)CCC[NH2+]C1 ZINC000071518697 183251472 /nfs/dbraw/zinc/25/14/72/183251472.db2.gz QXQGZMHCWADXMT-LLVKDONJSA-N 1 0 213.227 1.536 10 0 BDAERO O[C@]1(c2ccc(C(F)(F)F)cc2)CC[NH2+]C1 ZINC000006093312 183252203 /nfs/dbraw/zinc/25/22/03/183252203.db2.gz YEOWRYUFQAXJOT-SNVBAGLBSA-N 1 0 231.217 1.886 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000038059356 183232922 /nfs/dbraw/zinc/23/29/22/183232922.db2.gz WMOBWENVSPAYPT-NEPJUHHUSA-N 1 0 209.289 1.715 10 0 BDAERO CCCN(CC(F)(F)F)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062114945 169107579 /nfs/dbraw/zinc/10/75/79/169107579.db2.gz WHLIZWIOLJJSFW-MRVPVSSYSA-N 1 0 238.253 1.397 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000037164815 183237183 /nfs/dbraw/zinc/23/71/83/183237183.db2.gz NPNLCFRPMZTYJI-RYUDHWBXSA-N 1 0 206.289 1.475 10 0 BDAERO CCC[NH+](CCC)C[C@@H](O)CN1CCCC1=O ZINC000111683713 169148704 /nfs/dbraw/zinc/14/87/04/169148704.db2.gz JTWRMVMHJWCGNI-GFCCVEGCSA-N 1 0 242.363 1.092 10 0 BDAERO Oc1ccc(C[NH2+][C@H]2CCN3CCC[C@H]23)cc1 ZINC000037168300 183270848 /nfs/dbraw/zinc/27/08/48/183270848.db2.gz QVRUYUXSRXOMEJ-UONOGXRCSA-N 1 0 232.327 1.719 10 0 BDAERO Oc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019945972 183270983 /nfs/dbraw/zinc/27/09/83/183270983.db2.gz KDKKMKXTSYKGEY-CQSZACIVSA-N 1 0 232.327 1.576 10 0 BDAERO CCC[N@H+](C[C@H](O)C(C)(C)C)CC(C)(C)O ZINC000336663184 169173571 /nfs/dbraw/zinc/17/35/71/169173571.db2.gz AQUFPPCODRQPLW-NSHDSACASA-N 1 0 231.380 1.876 10 0 BDAERO Oc1cccc2c1C[C@@H]1[NH2+]CCC[C@H]1C2 ZINC000027560831 183297188 /nfs/dbraw/zinc/29/71/88/183297188.db2.gz ZEGPLOZRDHDXHP-JQWIXIFHSA-N 1 0 203.285 1.859 10 0 BDAERO CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)C(=O)[O-])CC1 ZINC000049356007 169191220 /nfs/dbraw/zinc/19/12/20/169191220.db2.gz KSIKSXSSYZQQNL-WDEREUQCSA-N 1 0 242.363 1.560 10 0 BDAERO c1c[nH]c(C[NH2+]CCc2nnc3ccccn32)c1 ZINC000048463086 183326056 /nfs/dbraw/zinc/32/60/56/183326056.db2.gz ORQYRRSTQQHVSC-UHFFFAOYSA-N 1 0 241.298 1.390 10 0 BDAERO CCCN1CCN(C(=[NH2+])NC2CCCC2)CC1 ZINC000052045128 169201507 /nfs/dbraw/zinc/20/15/07/169201507.db2.gz GLYNFPGMLLRSQL-UHFFFAOYSA-N 1 0 238.379 1.481 10 0 BDAERO CCC[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000105836831 169203045 /nfs/dbraw/zinc/20/30/45/169203045.db2.gz JCJPDJMQICORSE-GFCCVEGCSA-N 1 0 214.353 1.439 10 0 BDAERO CCC[NH+]1CCN([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037157875 169203618 /nfs/dbraw/zinc/20/36/18/169203618.db2.gz HLDHSCJGRDNIPD-CHWSQXEVSA-N 1 0 225.380 1.141 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1ccncc1 ZINC000076610685 169232538 /nfs/dbraw/zinc/23/25/38/169232538.db2.gz HVVPDSVFJJWRKB-LLVKDONJSA-N 1 0 221.304 1.040 10 0 BDAERO c1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)ncn1 ZINC000054789581 183349743 /nfs/dbraw/zinc/34/97/43/183349743.db2.gz DRIKNCVKQAFNRB-NSHDSACASA-N 1 0 232.331 1.051 10 0 BDAERO CCCN1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860293 169211370 /nfs/dbraw/zinc/21/13/70/169211370.db2.gz YZTLFHHNRAFDRM-CYBMUJFWSA-N 1 0 204.317 1.782 10 0 BDAERO CCCNC(=[NH2+])N[C@H](CO)Cc1ccccc1 ZINC000063221237 169212156 /nfs/dbraw/zinc/21/21/56/169212156.db2.gz FESYFZWAKHNWMM-LBPRGKRZSA-N 1 0 235.331 1.114 10 0 BDAERO c1cc(C[C@H]2CCC[NH2+]C2)nc(NC2CC2)n1 ZINC000066346616 183355558 /nfs/dbraw/zinc/35/55/58/183355558.db2.gz KZXACLVCDMAAOJ-SNVBAGLBSA-N 1 0 232.331 1.593 10 0 BDAERO CCC[NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000044647043 169255378 /nfs/dbraw/zinc/25/53/78/169255378.db2.gz OVJHROGQIAGCMF-GHMZBOCLSA-N 1 0 212.337 1.681 10 0 BDAERO CCC[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000020056564 169256225 /nfs/dbraw/zinc/25/62/25/169256225.db2.gz YYNNYBJNNJSJNQ-UHFFFAOYSA-N 1 0 222.288 1.633 10 0 BDAERO CCC[NH2+]CC1CC[NH+]([C@H](C)C(=O)[O-])CC1 ZINC000082645709 169257258 /nfs/dbraw/zinc/25/72/58/169257258.db2.gz YQZLFKLVYRBTIF-SNVBAGLBSA-N 1 0 228.336 1.171 10 0 BDAERO c1cc(CC[C@H]2COCC[NH2+]2)cc2c1OCO2 ZINC000071545371 183368204 /nfs/dbraw/zinc/36/82/04/183368204.db2.gz NTMJAHKJGWFNLP-NSHDSACASA-N 1 0 235.283 1.336 10 0 BDAERO c1cc(NC[C@@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000041233938 183368914 /nfs/dbraw/zinc/36/89/14/183368914.db2.gz SJRADPRXOVVXPH-JTQLQIEISA-N 1 0 220.272 1.579 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1ccc(OC)c(N)c1 ZINC000098124942 169262420 /nfs/dbraw/zinc/26/24/20/169262420.db2.gz VWTHNYRCQXDJSR-LLVKDONJSA-N 1 0 224.304 1.310 10 0 BDAERO CCCNC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749796 169235803 /nfs/dbraw/zinc/23/58/03/169235803.db2.gz OXSUVKGMHRLGNQ-PBINXNQUSA-N 1 0 211.309 1.060 10 0 BDAERO CCCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000103956686 169237415 /nfs/dbraw/zinc/23/74/15/169237415.db2.gz NIZDFVAWMOUEKO-UHFFFAOYSA-N 1 0 239.294 1.494 10 0 BDAERO c1cc2sc(C[C@H]3COCC[NH2+]3)nc2cn1 ZINC000076167369 183378250 /nfs/dbraw/zinc/37/82/50/183378250.db2.gz ZEYCDRZVERLDKF-QMMMGPOBSA-N 1 0 235.312 1.222 10 0 BDAERO CCCNC(=O)[C@H](C)NC(=[NH2+])c1ccccc1 ZINC000062993866 169246603 /nfs/dbraw/zinc/24/66/03/169246603.db2.gz PQQZOXLEZZMQLW-JTQLQIEISA-N 1 0 233.315 1.516 10 0 BDAERO c1ncn(-c2ccccc2NC2CC[NH2+]CC2)n1 ZINC000038041127 183386505 /nfs/dbraw/zinc/38/65/05/183386505.db2.gz ZWNPDBORTIAAEN-UHFFFAOYSA-N 1 0 243.314 1.431 10 0 BDAERO CCC[NH2+][C@H](C)c1ccccc1OCC(N)=O ZINC000034821196 169286688 /nfs/dbraw/zinc/28/66/88/169286688.db2.gz WDXXTAFBVKNRET-SNVBAGLBSA-N 1 0 236.315 1.611 10 0 BDAERO c1ccc(C2=N[C@@H]3CC[NH2+]C[C@H]3S2)cc1 ZINC000064871445 183389193 /nfs/dbraw/zinc/38/91/93/183389193.db2.gz HNCGWLODEDWPHW-GHMZBOCLSA-N 1 0 218.325 1.911 10 0 BDAERO CCC[NH2+]C[C@H](O)COc1ccc(CC)cc1 ZINC000033466161 169263324 /nfs/dbraw/zinc/26/33/24/169263324.db2.gz KMKNIJXVRGNZII-ZDUSSCGKSA-N 1 0 237.343 1.988 10 0 BDAERO c1ccc(C[N@@H+]2CCCN3CCNC[C@@H]3C2)cc1 ZINC000096895528 183399018 /nfs/dbraw/zinc/39/90/18/183399018.db2.gz VMXZRVNKYQIHEU-OAHLLOKOSA-N 1 0 245.370 1.166 10 0 BDAERO CCC[NH2+][C@@H](/C=C/[Si](C)(C)C)CO ZINC000195524994 169273606 /nfs/dbraw/zinc/27/36/06/169273606.db2.gz BCYOIVDKAQCNDN-PCGIRMHASA-N 1 0 201.386 1.781 10 0 BDAERO CCC[NH2+][C@@H](C)Cc1nc(-c2cnccn2)no1 ZINC000110514208 169276076 /nfs/dbraw/zinc/27/60/76/169276076.db2.gz RNTSNJHCTBPRKD-VIFPVBQESA-N 1 0 247.302 1.457 10 0 BDAERO CCC[NH2+][C@@H]1CCC[C@@H]1N1CCCOCC1 ZINC000061918071 169281868 /nfs/dbraw/zinc/28/18/68/169281868.db2.gz HABKTABWWIIDAM-OLZOCXBDSA-N 1 0 226.364 1.629 10 0 BDAERO CCC[NH2+][C@@H]1CCN(c2ccccc2OC)C1=O ZINC000049647171 169282720 /nfs/dbraw/zinc/28/27/20/169282720.db2.gz LWDYRJBMVDXDKB-LLVKDONJSA-N 1 0 248.326 1.800 10 0 BDAERO CCCOCCC(=O)N(CC)C1CC[NH2+]CC1 ZINC000054435302 169309245 /nfs/dbraw/zinc/30/92/45/169309245.db2.gz YSZREKOZHMTIBQ-UHFFFAOYSA-N 1 0 242.363 1.404 10 0 BDAERO CCCO[C@@H]1CCC[N@H+](C[C@@H](C)C(=O)OC)C1 ZINC000042423221 169312405 /nfs/dbraw/zinc/31/24/05/169312405.db2.gz VDLKCKKWXBSWDL-VXGBXAGGSA-N 1 0 243.347 1.687 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@H](C)c2ccncc2)C1=O ZINC000049648746 169291603 /nfs/dbraw/zinc/29/16/03/169291603.db2.gz DMPLYORTSOYXKG-YPMHNXCESA-N 1 0 247.342 1.743 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@H](C)c2ccco2)C1=O ZINC000049648200 169291696 /nfs/dbraw/zinc/29/16/96/169291696.db2.gz MHZOZWVZCSYVES-MNOVXSKESA-N 1 0 236.315 1.941 10 0 BDAERO CCC[NH2+][C@H]1CCN(c2ccccc2OC)C1=O ZINC000049647172 169291875 /nfs/dbraw/zinc/29/18/75/169291875.db2.gz LWDYRJBMVDXDKB-NSHDSACASA-N 1 0 248.326 1.800 10 0 BDAERO CCC[NH2+][C@H]1CCN(Cc2ccc(C)nc2)C1=O ZINC000062053644 169291995 /nfs/dbraw/zinc/29/19/95/169291995.db2.gz MPZSPQKCBVSMOF-ZDUSSCGKSA-N 1 0 247.342 1.491 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2ccco2)C1=O ZINC000049648198 169292144 /nfs/dbraw/zinc/29/21/44/169292144.db2.gz MHZOZWVZCSYVES-QWRGUYRKSA-N 1 0 236.315 1.941 10 0 BDAERO CCCOc1ccc([C@@H](C[NH3+])CO)cc1 ZINC000071511768 169320771 /nfs/dbraw/zinc/32/07/71/169320771.db2.gz UHEMIVNMWWHEFC-NSHDSACASA-N 1 0 209.289 1.510 10 0 BDAERO CCCOc1ccc([C@@](C)(O)C[NH2+]C)cc1 ZINC000032014617 169321918 /nfs/dbraw/zinc/32/19/18/169321918.db2.gz HGMOIDQTGSCFGY-ZDUSSCGKSA-N 1 0 223.316 1.902 10 0 BDAERO CCCS(=O)(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000020224999 169330308 /nfs/dbraw/zinc/33/03/08/169330308.db2.gz LUGPNNVBSFELDH-UHFFFAOYSA-N 1 0 242.344 1.321 10 0 BDAERO CCCS(=O)(=O)Nc1ccc(CC[NH3+])cc1 ZINC000020224439 169334351 /nfs/dbraw/zinc/33/43/51/169334351.db2.gz UGQHSJKSFPWFNQ-UHFFFAOYSA-N 1 0 242.344 1.340 10 0 BDAERO CCC[C@@H](C)[N@H+](C)CC[C@H](NC(C)C)C(N)=O ZINC000062450296 169365576 /nfs/dbraw/zinc/36/55/76/169365576.db2.gz UZZKGGDYKZZMBY-NEPJUHHUSA-N 1 0 243.395 1.349 10 0 BDAERO CCC[C@@H](C[NH3+])N1CCOC(C)(C)C1 ZINC000036232187 169383434 /nfs/dbraw/zinc/38/34/34/169383434.db2.gz XNIDUPHHPRTFAG-JTQLQIEISA-N 1 0 200.326 1.225 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1SCC ZINC000225555055 169390178 /nfs/dbraw/zinc/39/01/78/169390178.db2.gz OTVLHFQLDSXOMR-MXWKQRLJSA-N 1 0 244.404 1.904 10 0 BDAERO CCC[C@@H]([NH3+])[C@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000054320097 169392606 /nfs/dbraw/zinc/39/26/06/169392606.db2.gz OHQNAIASECKDLS-KGLIPLIRSA-N 1 0 241.423 1.918 10 0 BDAERO CCC[C@@H]([NH3+])c1noc([C@@H]2CCCOC2)n1 ZINC000062243420 169394470 /nfs/dbraw/zinc/39/44/70/169394470.db2.gz RJUOZQDXOMGAJL-RKDXNWHRSA-N 1 0 225.292 1.764 10 0 BDAERO CCC[C@@H]([NH3+])CN1C(=O)CC(C)(C)CC1=O ZINC000061828127 169393233 /nfs/dbraw/zinc/39/32/33/169393233.db2.gz YXXIGDKHOAIHHX-SECBINFHSA-N 1 0 226.320 1.289 10 0 BDAERO CC(C)(C)OC(=O)N1CC([C@H]2CC[C@H]2[NH3+])C1 ZINC000095836139 166645656 /nfs/dbraw/zinc/64/56/56/166645656.db2.gz QNLRPEHTOVOWAR-NXEZZACHSA-N 1 0 226.320 1.591 10 0 BDAERO CO[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000182216341 134342893 /nfs/dbraw/zinc/34/28/93/134342893.db2.gz XDRVYJYFKIYJGD-DGCLKSJQSA-N 1 0 237.347 1.691 10 0 BDAERO CCC[C@H](C)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336753945 169482396 /nfs/dbraw/zinc/48/23/96/169482396.db2.gz HDSMOBHUPOWPSI-GARJFASQSA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C[NH3+])C1 ZINC000091692682 166655901 /nfs/dbraw/zinc/65/59/01/166655901.db2.gz RHXUKFGULJLRIL-DTWKUNHWSA-N 1 0 232.299 1.540 10 0 BDAERO CCC[C@H](CCC[NH3+])C(=O)N1CCOCC1 ZINC000076613150 169497801 /nfs/dbraw/zinc/49/78/01/169497801.db2.gz WISZCQADNNFJHS-LLVKDONJSA-N 1 0 228.336 1.000 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000225432330 134353412 /nfs/dbraw/zinc/35/34/12/134353412.db2.gz XAPQUCVELRGAGN-RKDXNWHRSA-N 1 0 241.253 1.147 10 0 BDAERO CCC(O)(CC)C[N@H+]1C[C@H](N(C)C)[C@@H](C)C1 ZINC000226132081 134359461 /nfs/dbraw/zinc/35/94/61/134359461.db2.gz GXYCRZAQMRBZCQ-RYUDHWBXSA-N 1 0 228.380 1.419 10 0 BDAERO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CCC1 ZINC000336214277 169649950 /nfs/dbraw/zinc/64/99/50/169649950.db2.gz CMYRXLXLLZMFMH-MWLCHTKSSA-N 1 0 210.321 1.243 10 0 BDAERO CCN(C(=O)[C@H]1[NH2+]CCC[C@@H]1C)C(C)C ZINC000051792526 169654438 /nfs/dbraw/zinc/65/44/38/169654438.db2.gz ZWOAYZKYMBFEPL-QWRGUYRKSA-N 1 0 212.337 1.631 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)/C=C/C1CCCCC1 ZINC000178632143 532953786 /nfs/dbraw/zinc/95/37/86/532953786.db2.gz JMEIJFLPSUSSFF-WSKFYRRCSA-N 1 0 224.348 1.976 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1ncc(Br)cn1 ZINC000307072429 532994128 /nfs/dbraw/zinc/99/41/28/532994128.db2.gz IIBFZCQMRZRIKQ-RITPCOANSA-N 1 0 245.124 1.387 10 0 BDAERO CCC[C@@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000187684255 383847089 /nfs/dbraw/zinc/84/70/89/383847089.db2.gz JTJQABMGCDJAMP-OLZOCXBDSA-N 1 0 237.347 1.773 10 0 BDAERO [NH3+]C[C@H](CN1CCOCC1)c1ccccc1 ZINC000035731269 383868767 /nfs/dbraw/zinc/86/87/67/383868767.db2.gz UJFZYGBICBCQMD-CYBMUJFWSA-N 1 0 220.316 1.061 10 0 BDAERO C[C@H]1CSC[C@H](c2ccc(F)cn2)[NH2+]1 ZINC000156483990 383873971 /nfs/dbraw/zinc/87/39/71/383873971.db2.gz YFPYIVOVUMZKNN-OIBJUYFYSA-N 1 0 212.293 1.987 10 0 BDAERO CCOC1(C(F)(F)F)CCN(CC[NH3+])CC1 ZINC000409434218 383829956 /nfs/dbraw/zinc/82/99/56/383829956.db2.gz OOIDGVREPZNLNA-UHFFFAOYSA-N 1 0 240.269 1.379 10 0 BDAERO CN(Cc1ccncc1)C[C@H]1CCCC[NH2+]1 ZINC000036776469 383910374 /nfs/dbraw/zinc/91/03/74/383910374.db2.gz LNXIFWAQRWLYHU-CYBMUJFWSA-N 1 0 219.332 1.656 10 0 BDAERO [NH3+]Cc1ccc(C(=O)Nc2cnccn2)cc1 ZINC000036333731 383899336 /nfs/dbraw/zinc/89/93/36/383899336.db2.gz GHXYLIFHNAFNOF-UHFFFAOYSA-N 1 0 228.255 1.188 10 0 BDAERO CC[C@@]1(C(=O)NC[C@H](C)C(C)C)CC[NH2+]C1 ZINC000081060644 383986790 /nfs/dbraw/zinc/98/67/90/383986790.db2.gz BFGYTVCGHYHJEJ-WCQYABFASA-N 1 0 226.364 1.784 10 0 BDAERO CN[C@H](C[NH3+])c1cc(Br)cs1 ZINC000050269942 383991564 /nfs/dbraw/zinc/99/15/64/383991564.db2.gz DLEZIQDWEZIZDC-ZCFIWIBFSA-N 1 0 235.150 1.730 10 0 BDAERO CN[C@@H](C[NH3+])c1ccc(Br)cc1F ZINC000050269970 383991803 /nfs/dbraw/zinc/99/18/03/383991803.db2.gz BXFJMZCZXNXLCO-VIFPVBQESA-N 1 0 247.111 1.807 10 0 BDAERO Cc1nsc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000227737936 134385520 /nfs/dbraw/zinc/38/55/20/134385520.db2.gz XMQLNZDBAKHULV-VIFPVBQESA-N 1 0 228.365 1.656 10 0 BDAERO CN(C)Cc1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000050329877 383998681 /nfs/dbraw/zinc/99/86/81/383998681.db2.gz UWOMEEJKQBLETI-ZETCQYMHSA-N 1 0 211.334 1.541 10 0 BDAERO C[NH+](C)CCSc1cccc2nccn21 ZINC000089201309 383944451 /nfs/dbraw/zinc/94/44/51/383944451.db2.gz CAQODCQFONTAJF-UHFFFAOYSA-N 1 0 221.329 1.988 10 0 BDAERO C[NH+](C)CCNCc1cc(F)ccc1F ZINC000037228214 383961390 /nfs/dbraw/zinc/96/13/90/383961390.db2.gz SEEQOAOLFPPSBA-UHFFFAOYSA-N 1 0 214.259 1.616 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000050394059 384017240 /nfs/dbraw/zinc/01/72/40/384017240.db2.gz IJEGTSGFIFTXJD-SECBINFHSA-N 1 0 210.302 1.116 10 0 BDAERO Cc1cccc(NC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000643615215 384018721 /nfs/dbraw/zinc/01/87/21/384018721.db2.gz XSNSNCIHFCKWEK-LLVKDONJSA-N 1 0 234.299 1.170 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000401791556 384019851 /nfs/dbraw/zinc/01/98/51/384019851.db2.gz NYGSXZVAWSAULS-JHJVBQTASA-N 1 0 228.380 1.730 10 0 BDAERO COC[C@]1(C(=O)N2CCCC[C@H]2C)CCC[NH2+]1 ZINC000643617051 384010780 /nfs/dbraw/zinc/01/07/80/384010780.db2.gz PHMJRRVOAYJVKI-YPMHNXCESA-N 1 0 240.347 1.156 10 0 BDAERO Cc1ccc(C[N@H+]2C[C@H](O)CC[C@@H]2C)cn1 ZINC000405690480 384051385 /nfs/dbraw/zinc/05/13/85/384051385.db2.gz KWWZJXDCTWXZDU-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO O=c1[nH]c(N[C@@H]2CCC[NH2+]C2)nc2ccccc21 ZINC000073668265 384027574 /nfs/dbraw/zinc/02/75/74/384027574.db2.gz RVSVXARJXAGLKO-SECBINFHSA-N 1 0 244.298 1.087 10 0 BDAERO CO[C@@H]1CC[N@@H+]2[C@H]3C=CC4=CC(=O)O[C@@]4(C3)[C@H]2C1 ZINC000090506278 384052851 /nfs/dbraw/zinc/05/28/51/384052851.db2.gz YKLWRYOORWTCQQ-FMCLSXCISA-N 1 0 247.294 1.030 10 0 BDAERO Nc1ccc(C[NH3+])cc1I ZINC000038591690 384088216 /nfs/dbraw/zinc/08/82/16/384088216.db2.gz XAEMKYWFXUEWGD-UHFFFAOYSA-N 1 0 248.067 1.332 10 0 BDAERO Clc1cc(N2CC[NH2+]CC2)cc(Cl)n1 ZINC000090484050 384054202 /nfs/dbraw/zinc/05/42/02/384054202.db2.gz WMAKIYREEWLXSV-UHFFFAOYSA-N 1 0 232.114 1.798 10 0 BDAERO COc1ncccc1NC1CC[NH2+]CC1 ZINC000038041183 384060999 /nfs/dbraw/zinc/06/09/99/384060999.db2.gz CERGECBLZYUYHZ-UHFFFAOYSA-N 1 0 207.277 1.254 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2cccn2)o1 ZINC000038097535 384069345 /nfs/dbraw/zinc/06/93/45/384069345.db2.gz VLLIVWNWKRPIJA-VXGBXAGGSA-N 1 0 249.314 1.496 10 0 BDAERO CCO[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000039099956 384102919 /nfs/dbraw/zinc/10/29/19/384102919.db2.gz AFTFWZMXYMSIDT-VXGBXAGGSA-N 1 0 213.321 1.666 10 0 BDAERO Cc1c(O)ccc(N2CC[NH2+]CC2)c1C ZINC000091363838 384120563 /nfs/dbraw/zinc/12/05/63/384120563.db2.gz BARVKZLPUITBIV-UHFFFAOYSA-N 1 0 206.289 1.419 10 0 BDAERO C[C@@H](C[NH3+])CNc1ncnc2sccc21 ZINC000084901575 384127392 /nfs/dbraw/zinc/12/73/92/384127392.db2.gz WSUOCVNPXXEWRQ-ZETCQYMHSA-N 1 0 222.317 1.698 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000334744801 384170237 /nfs/dbraw/zinc/17/02/37/384170237.db2.gz AELHYDFPQJUVCJ-ZWNOBZJWSA-N 1 0 248.326 1.773 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000080993959 384177894 /nfs/dbraw/zinc/17/78/94/384177894.db2.gz LACRAJXUNOXTLB-MWLCHTKSSA-N 1 0 210.321 1.433 10 0 BDAERO c1ccc([C@@H]2CC3(CC[NH2+]2)OCCO3)cc1 ZINC000041232425 384183121 /nfs/dbraw/zinc/18/31/21/384183121.db2.gz LFVKIMZWPUTFMF-LBPRGKRZSA-N 1 0 219.284 1.854 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H](C(=[NH2+])NO)C1 ZINC000072266102 384203509 /nfs/dbraw/zinc/20/35/09/384203509.db2.gz ICMRUAQEVGWING-ZETCQYMHSA-N 1 0 229.280 1.199 10 0 BDAERO Cc1ccnc(N[C@@H]2CCCNC2=O)c1 ZINC000050396583 384204385 /nfs/dbraw/zinc/20/43/85/384204385.db2.gz JOMJHIBEGMLDOX-SECBINFHSA-N 1 0 205.261 1.081 10 0 BDAERO C[NH2+][C@@H](C)[C@H](C)N1CCOC(C)(C)C1 ZINC000043897787 384188550 /nfs/dbraw/zinc/18/85/50/384188550.db2.gz HUJOXCAFYKPZTD-UWVGGRQHSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+][C@@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000041611471 384194846 /nfs/dbraw/zinc/19/48/46/384194846.db2.gz FHGNUKAARRYOMM-VIFPVBQESA-N 1 0 203.285 1.966 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1cccs1)n1cncn1 ZINC000043106963 384199899 /nfs/dbraw/zinc/19/98/99/384199899.db2.gz HXWRAVRDQNQKRV-APPZFPTMSA-N 1 0 208.290 1.276 10 0 BDAERO CCN1CCC[C@H]1C[N@H+](C)CC(C)(C)O ZINC000082491730 384234885 /nfs/dbraw/zinc/23/48/85/384234885.db2.gz NTDNJPCWVUKQDR-NSHDSACASA-N 1 0 214.353 1.173 10 0 BDAERO CC[S@](=O)Cc1nccn1C(C)C ZINC000133299193 384240021 /nfs/dbraw/zinc/24/00/21/384240021.db2.gz YHILATUCDGHUMQ-CYBMUJFWSA-N 1 0 200.307 1.733 10 0 BDAERO CCC(CC)(CC)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643714378 384240360 /nfs/dbraw/zinc/24/03/60/384240360.db2.gz RTUVSZKPNGMJJX-NSHDSACASA-N 1 0 242.363 1.307 10 0 BDAERO CC[C@@H]([NH3+])CNc1ncnc2ccsc21 ZINC000082579301 384243027 /nfs/dbraw/zinc/24/30/27/384243027.db2.gz SWPKFFLPULFDRD-SSDOTTSWSA-N 1 0 222.317 1.841 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000044135912 384315834 /nfs/dbraw/zinc/31/58/34/384315834.db2.gz VYUIWLMJPDHWQQ-NEPJUHHUSA-N 1 0 219.284 1.553 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cccnc1 ZINC000282447709 384281116 /nfs/dbraw/zinc/28/11/16/384281116.db2.gz SEYKRRKLOXFHGP-HOSYDEDBSA-N 1 0 233.315 1.399 10 0 BDAERO CCCCOCCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048014 384285275 /nfs/dbraw/zinc/28/52/75/384285275.db2.gz GTEAZGCJQKUYOP-WDEREUQCSA-N 1 0 200.326 1.082 10 0 BDAERO CC[N@H+](Cc1c(C)nn(C)c1OC)C1CC1 ZINC000133322802 384285561 /nfs/dbraw/zinc/28/55/61/384285561.db2.gz YGIVUNIAXATDJS-UHFFFAOYSA-N 1 0 223.320 1.721 10 0 BDAERO CCC[C@H](C(=O)Nc1ccc(F)cn1)[NH+](C)C ZINC000094018403 384287216 /nfs/dbraw/zinc/28/72/16/384287216.db2.gz FHTJHWBDBHCHBD-SNVBAGLBSA-N 1 0 239.294 1.890 10 0 BDAERO Clc1nccnc1CNC[C@@H]1CCCC[NH2+]1 ZINC000095070369 384336676 /nfs/dbraw/zinc/33/66/76/384336676.db2.gz DSMZVMVUHTZYBW-VIFPVBQESA-N 1 0 240.738 1.362 10 0 BDAERO Clc1nccc(COC[C@H]2CC[NH2+]C2)n1 ZINC000095070313 384337097 /nfs/dbraw/zinc/33/70/97/384337097.db2.gz ULLCBSKIIVNEMW-QMMMGPOBSA-N 1 0 227.695 1.256 10 0 BDAERO CN(c1nc2cccnc2[nH]1)[C@H]1CCC[NH2+]C1 ZINC000095070570 384337316 /nfs/dbraw/zinc/33/73/16/384337316.db2.gz TWLNXLLSPAGIBO-VIFPVBQESA-N 1 0 231.303 1.098 10 0 BDAERO Cn1c2ccccc2nc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000335576304 384337447 /nfs/dbraw/zinc/33/74/47/384337447.db2.gz BDVLRICBUCDOGZ-MNOVXSKESA-N 1 0 244.342 1.535 10 0 BDAERO Clc1ccc(CO[C@@H]2CCC[NH2+]C2)nn1 ZINC000095070490 384337499 /nfs/dbraw/zinc/33/74/99/384337499.db2.gz HFSYPHAAJJARRE-SECBINFHSA-N 1 0 227.695 1.399 10 0 BDAERO Cc1ccnc(N(C)C[C@H]2CCC[NH2+]C2)n1 ZINC000095071083 384339400 /nfs/dbraw/zinc/33/94/00/384339400.db2.gz NSNLQUAXOODLBX-NSHDSACASA-N 1 0 220.320 1.221 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095071101 384339453 /nfs/dbraw/zinc/33/94/53/384339453.db2.gz MFBAXKMETBNTRM-VIFPVBQESA-N 1 0 211.334 1.579 10 0 BDAERO CN(CC(=O)c1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000095071276 384341344 /nfs/dbraw/zinc/34/13/44/384341344.db2.gz UANSLNMEEOYSBG-SNVBAGLBSA-N 1 0 238.356 1.472 10 0 BDAERO [NH3+][C@@H]1CCN(Cc2cnc(Cl)nc2Cl)C1 ZINC000095072114 384341815 /nfs/dbraw/zinc/34/18/15/384341815.db2.gz XRPOVPGMFNTXIH-SSDOTTSWSA-N 1 0 247.129 1.316 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1nc2cccnc2[nH]1 ZINC000095072432 384342877 /nfs/dbraw/zinc/34/28/77/384342877.db2.gz IMPGVYBJTYTXSX-VIFPVBQESA-N 1 0 231.303 1.227 10 0 BDAERO OCC[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000075767747 384343279 /nfs/dbraw/zinc/34/32/79/384343279.db2.gz HHWDWTLOEXKDRO-JTQLQIEISA-N 1 0 240.734 1.939 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCc1cncs1 ZINC000095072299 384343218 /nfs/dbraw/zinc/34/32/18/384343218.db2.gz LHGLULYPUPRVBK-VHSXEESVSA-N 1 0 211.334 1.503 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1Nc1nc2cccnc2[nH]1 ZINC000095072245 384343508 /nfs/dbraw/zinc/34/35/08/384343508.db2.gz QYJNKHFFUDOQDT-RKDXNWHRSA-N 1 0 231.303 1.640 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCC(=O)c1cccs1 ZINC000095072260 384343878 /nfs/dbraw/zinc/34/38/78/384343878.db2.gz KDEWQNUJBRUZIN-UWVGGRQHSA-N 1 0 238.356 1.790 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCC(=O)c1ccc[nH]1 ZINC000095072252 384344019 /nfs/dbraw/zinc/34/40/19/384344019.db2.gz ACAJSXNPYXYJEC-UWVGGRQHSA-N 1 0 221.304 1.057 10 0 BDAERO O=C(COC[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000095072868 384345945 /nfs/dbraw/zinc/34/59/45/384345945.db2.gz MCNXVOWQCCWVDT-SECBINFHSA-N 1 0 240.328 1.485 10 0 BDAERO O=[S@](c1nc2ccccc2o1)[C@@H]1CC[NH2+]C1 ZINC000095072999 384346221 /nfs/dbraw/zinc/34/62/21/384346221.db2.gz FJMPFDCZZVHSMU-VPTHRUTESA-N 1 0 236.296 1.297 10 0 BDAERO O=[S@@](c1nc2ccccc2[nH]1)C1CC[NH2+]CC1 ZINC000095073419 384347533 /nfs/dbraw/zinc/34/75/33/384347533.db2.gz ZLCAANZKSNHBLE-KRWDZBQOSA-N 1 0 249.339 1.423 10 0 BDAERO O=[S@](C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000095073613 384347546 /nfs/dbraw/zinc/34/75/46/384347546.db2.gz HWERYQSXJZJHBZ-CLAHSXSESA-N 1 0 230.358 1.250 10 0 BDAERO O=[S@](c1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000095073390 384347934 /nfs/dbraw/zinc/34/79/34/384347934.db2.gz WFUIYFJQEJYKGO-FUXBKTLASA-N 1 0 216.331 1.003 10 0 BDAERO Oc1cccnc1NC[C@H]1CCCC[NH2+]1 ZINC000095073829 384350803 /nfs/dbraw/zinc/35/08/03/384350803.db2.gz RNHOFGWRMCDLKL-SECBINFHSA-N 1 0 207.277 1.341 10 0 BDAERO Oc1cccnc1NC[C@@H]1CCC[NH2+]C1 ZINC000095073832 384351344 /nfs/dbraw/zinc/35/13/44/384351344.db2.gz KUHRPBZHVBAIPA-SECBINFHSA-N 1 0 207.277 1.199 10 0 BDAERO CSc1nccnc1C[N@@H+]1CCC[C@@H]1CO ZINC000095076786 384352179 /nfs/dbraw/zinc/35/21/79/384352179.db2.gz MKOMQDNPPMABCI-SECBINFHSA-N 1 0 239.344 1.155 10 0 BDAERO FC(F)(F)N1CCC([NH2+]C2CC2)CC1 ZINC000095076972 384352977 /nfs/dbraw/zinc/35/29/77/384352977.db2.gz IDASFRJXEYDMLE-UHFFFAOYSA-N 1 0 208.227 1.723 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000076072851 384356152 /nfs/dbraw/zinc/35/61/52/384356152.db2.gz ZYSNKCAWWTYNKL-GRYCIOLGSA-N 1 0 239.363 1.426 10 0 BDAERO c1ccc2c(c1)CN([C@H]1CC[NH2+]C1)C=[NH+]2 ZINC000095081073 384357506 /nfs/dbraw/zinc/35/75/06/384357506.db2.gz PCRZVTQUCCNQDX-NSHDSACASA-N 1 0 201.273 1.524 10 0 BDAERO Cc1cnc(CC[N@@H+]2C[C@@H](C)C[C@H](O)C2)c(C)c1 ZINC000335593203 384358034 /nfs/dbraw/zinc/35/80/34/384358034.db2.gz YZYRCMKJKSMUAN-JSGCOSHPSA-N 1 0 248.370 1.944 10 0 BDAERO CC(=O)N(C[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000095082782 384360854 /nfs/dbraw/zinc/36/08/54/384360854.db2.gz AMGWYACZPKEDMR-MRVPVSSYSA-N 1 0 224.226 1.497 10 0 BDAERO c1ncc(CS[C@H]2CC[NH2+]C2)s1 ZINC000095092715 384363241 /nfs/dbraw/zinc/36/32/41/384363241.db2.gz MHUWNSKVHLUDKE-ZETCQYMHSA-N 1 0 200.332 1.738 10 0 BDAERO Cc1ccnc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000335598864 384363952 /nfs/dbraw/zinc/36/39/52/384363952.db2.gz YJMHFGGLRVAIIC-QWRGUYRKSA-N 1 0 233.315 1.717 10 0 BDAERO Cc1cnn(CC[N@H+]2CCC[C@@H](O)[C@H]2C)c1 ZINC000335596262 384365639 /nfs/dbraw/zinc/36/56/39/384365639.db2.gz HBOYGFARCFGOBS-VXGBXAGGSA-N 1 0 223.320 1.037 10 0 BDAERO Cc1cnc(S[C@H]2CC[NH2+]C2)nc1Cl ZINC000095068727 384329575 /nfs/dbraw/zinc/32/95/75/384329575.db2.gz DGFBKBCWASWYFB-ZETCQYMHSA-N 1 0 229.736 1.892 10 0 BDAERO Cc1ccc([S@@](=O)[C@@H]2CCC[NH2+]C2)nc1 ZINC000095069046 384333019 /nfs/dbraw/zinc/33/30/19/384333019.db2.gz MTKNDDTUDNCKPO-MEBBXXQBSA-N 1 0 224.329 1.250 10 0 BDAERO O=[S@@](Cc1ccc(Cl)nc1)[C@@H]1CC[NH2+]C1 ZINC000095069887 384334650 /nfs/dbraw/zinc/33/46/50/384334650.db2.gz YFAXUISGTPIHMD-RFAUZJTJSA-N 1 0 244.747 1.346 10 0 BDAERO C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000095883669 384405872 /nfs/dbraw/zinc/40/58/72/384405872.db2.gz KUQTVSBIBUEQNN-VIFPVBQESA-N 1 0 214.309 1.509 10 0 BDAERO [NH3+]CCN1C[C@H](c2cnno2)Cc2ccccc21 ZINC000616674153 384411496 /nfs/dbraw/zinc/41/14/96/384411496.db2.gz YFAYCBJQFXTEDL-LLVKDONJSA-N 1 0 244.298 1.175 10 0 BDAERO O=C1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000076914457 384386606 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ZINC000335895494 384578149 /nfs/dbraw/zinc/57/81/49/384578149.db2.gz WEURJSRNJZSXKT-WCQYABFASA-N 1 0 232.327 1.843 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccccn2)C1 ZINC000334746504 384565037 /nfs/dbraw/zinc/56/50/37/384565037.db2.gz QYPDHJLYOVMGJX-ZYHUDNBSSA-N 1 0 206.289 1.284 10 0 BDAERO C[C@]1(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)CCCC[NH2+]1 ZINC000403257440 384610555 /nfs/dbraw/zinc/61/05/55/384610555.db2.gz WFNNLSRNINOWKJ-CIQGVGRVSA-N 1 0 236.359 1.823 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103320900 384615095 /nfs/dbraw/zinc/61/50/95/384615095.db2.gz YZKSKJZYZOZJLH-PWSUYJOCSA-N 1 0 239.363 1.426 10 0 BDAERO C[NH+](C)CCn1cccc1[C@H](N)C(F)(F)F ZINC000011848774 384619514 /nfs/dbraw/zinc/61/95/14/384619514.db2.gz NDUVWISDDJRLHC-VIFPVBQESA-N 1 0 235.253 1.612 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403295372 384623018 /nfs/dbraw/zinc/62/30/18/384623018.db2.gz NJQQWZXAYJJZTF-YBXAARCKSA-N 1 0 222.332 1.147 10 0 BDAERO CCC[C@H](C[NH2+]C1CC[NH2+]CC1)OC ZINC000356324098 384623827 /nfs/dbraw/zinc/62/38/27/384623827.db2.gz SMKNKMSOJNOWOK-LLVKDONJSA-N 1 0 200.326 1.143 10 0 BDAERO COC[C@@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000103432228 384625851 /nfs/dbraw/zinc/62/58/51/384625851.db2.gz VJEHYWBANDGUJW-VXGBXAGGSA-N 1 0 244.379 1.361 10 0 BDAERO COC[C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000103430305 384626650 /nfs/dbraw/zinc/62/66/50/384626650.db2.gz LFFUZUOFISWPML-NWDGAFQWSA-N 1 0 242.363 1.260 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]2C)[nH]1 ZINC000086329687 384638750 /nfs/dbraw/zinc/63/87/50/384638750.db2.gz QTCNNAQLAHQOQU-XCBNKYQSSA-N 1 0 208.261 1.299 10 0 BDAERO [NH3+]CC1CCN(c2nccnc2Cl)CC1 ZINC000073737302 384653843 /nfs/dbraw/zinc/65/38/43/384653843.db2.gz UEHQCAIAQUNBNL-UHFFFAOYSA-N 1 0 226.711 1.305 10 0 BDAERO Cc1nc(-c2cccnc2)[nH+]c(NN)c1C ZINC000051153650 384659581 /nfs/dbraw/zinc/65/95/81/384659581.db2.gz RPTLMRBCRJEOOD-UHFFFAOYSA-N 1 0 215.260 1.441 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000082285405 384659778 /nfs/dbraw/zinc/65/97/78/384659778.db2.gz GWVTWDGOWVXMHH-LBPRGKRZSA-N 1 0 248.326 1.228 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccsc1 ZINC000049185201 384675972 /nfs/dbraw/zinc/67/59/72/384675972.db2.gz OXCRGWQYHYGRGL-MWLCHTKSSA-N 1 0 240.372 1.923 10 0 BDAERO Cc1ccc(CCC[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185136123 384685622 /nfs/dbraw/zinc/68/56/22/384685622.db2.gz ZEPZPHXGWNBJNU-CABCVRRESA-N 1 0 249.354 1.355 10 0 BDAERO [NH3+]CCc1nnc(-c2c[nH]c3ccccc23)o1 ZINC000082541077 384690018 /nfs/dbraw/zinc/69/00/18/384690018.db2.gz USJAKSJMWLNQEY-UHFFFAOYSA-N 1 0 228.255 1.719 10 0 BDAERO [NH3+]CCOc1ccc2c(c1)CCCC2=O ZINC000082639765 384698833 /nfs/dbraw/zinc/69/88/33/384698833.db2.gz FOMXHNSRSALCOO-UHFFFAOYSA-N 1 0 205.257 1.543 10 0 BDAERO Clc1ccc(OCC[C@@H]2CCC[NH2+]C2)nn1 ZINC000051918723 384699534 /nfs/dbraw/zinc/69/95/34/384699534.db2.gz TVXHQUSQNXDXJH-VIFPVBQESA-N 1 0 241.722 1.899 10 0 BDAERO c1ccc2oc(OC[C@H]3CC[NH2+]C3)nc2c1 ZINC000051888783 384701669 /nfs/dbraw/zinc/70/16/69/384701669.db2.gz RXEFNEIXHWGMBC-VIFPVBQESA-N 1 0 218.256 1.816 10 0 BDAERO c1cncc(COCC[C@@H]2CCC[NH2+]C2)c1 ZINC000051917954 384701891 /nfs/dbraw/zinc/70/18/91/384701891.db2.gz GGCGWMPTMPUMMO-LBPRGKRZSA-N 1 0 220.316 1.988 10 0 BDAERO Cc1cnc(CN2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000173652502 384706733 /nfs/dbraw/zinc/70/67/33/384706733.db2.gz VCWJMAALZSNISI-LLVKDONJSA-N 1 0 221.304 1.263 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1nc(C(C)C)cs1 ZINC000054076619 384731788 /nfs/dbraw/zinc/73/17/88/384731788.db2.gz DCCCGDCKOMCBFN-SSDOTTSWSA-N 1 0 227.333 1.813 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]CCF)C12CCOCC2 ZINC000309979428 384759402 /nfs/dbraw/zinc/75/94/02/384759402.db2.gz VMODLGUYLVKQEM-MNOVXSKESA-N 1 0 231.311 1.520 10 0 BDAERO [NH3+][C@@H](CO)c1ccc2c(c1)OC(F)(F)O2 ZINC000072198317 384815595 /nfs/dbraw/zinc/81/55/95/384815595.db2.gz XRHHQBSWMJPLHM-LURJTMIESA-N 1 0 217.171 1.000 10 0 BDAERO CCc1cnc(CN2CC[C@@H]([NH3+])[C@H]2C)s1 ZINC000335662263 384820679 /nfs/dbraw/zinc/82/06/79/384820679.db2.gz LNTGUNKOTIGWSY-PSASIEDQSA-N 1 0 225.361 1.627 10 0 BDAERO CSC[C@@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000108994256 384822497 /nfs/dbraw/zinc/82/24/97/384822497.db2.gz MLQHLFFMNPWASR-NXEZZACHSA-N 1 0 230.377 1.148 10 0 BDAERO CN(C(=O)[C@@H]1CC12CC2)[C@H]1CCC[NH2+]CC1 ZINC000335414872 384824496 /nfs/dbraw/zinc/82/44/96/384824496.db2.gz UAWXNKWIKSJHEE-QWRGUYRKSA-N 1 0 222.332 1.387 10 0 BDAERO N[C@@H](CC[NH+]1CCCCC1)c1ccncc1 ZINC000084012018 384829020 /nfs/dbraw/zinc/82/90/20/384829020.db2.gz XQYMRAZQIUWEOO-ZDUSSCGKSA-N 1 0 219.332 1.957 10 0 BDAERO CCn1cncc1C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000335598056 384784212 /nfs/dbraw/zinc/78/42/12/384784212.db2.gz RRHWKJTWYCESLO-JQWIXIFHSA-N 1 0 223.320 1.248 10 0 BDAERO Cc1nnc2c(NC3(C[NH3+])CCCC3)nccn12 ZINC000083735497 384793664 /nfs/dbraw/zinc/79/36/64/384793664.db2.gz UDYDCYMIHFNEJS-UHFFFAOYSA-N 1 0 246.318 1.116 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2O)C1 ZINC000390008493 384796393 /nfs/dbraw/zinc/79/63/93/384796393.db2.gz SAQANYQXPQWBOZ-LBPRGKRZSA-N 1 0 248.326 1.145 10 0 BDAERO Cc1nc(SC[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000043471818 384836890 /nfs/dbraw/zinc/83/68/90/384836890.db2.gz AVIVSXJNOLGJOW-QMMMGPOBSA-N 1 0 212.322 1.205 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)CC(F)F ZINC000648193657 384808188 /nfs/dbraw/zinc/80/81/88/384808188.db2.gz HLJAYZKLALLPCK-HTQZYQBOSA-N 1 0 222.279 1.521 10 0 BDAERO [NH3+][C@@H](CO)c1c(F)cc(Cl)cc1F ZINC000072198061 384811582 /nfs/dbraw/zinc/81/15/82/384811582.db2.gz QCORVCRDCJQOGW-ZETCQYMHSA-N 1 0 207.607 1.610 10 0 BDAERO [NH3+][C@@H](CO)c1c(F)cccc1Br ZINC000072198739 384813917 /nfs/dbraw/zinc/81/39/17/384813917.db2.gz ZHKRICXGDQWTMX-ZETCQYMHSA-N 1 0 234.068 1.580 10 0 BDAERO COC(=O)C1(Cc2ccccc2)CC[NH2+]CC1 ZINC000084518024 384877364 /nfs/dbraw/zinc/87/73/64/384877364.db2.gz MIKVPOWIJNZEHO-UHFFFAOYSA-N 1 0 233.311 1.772 10 0 BDAERO c1cc(CNC[C@@H]2CC[NH2+]C2)c2c(c1)OCCO2 ZINC000398278665 384881804 /nfs/dbraw/zinc/88/18/04/384881804.db2.gz CNGMLVOCINDHIJ-LLVKDONJSA-N 1 0 248.326 1.157 10 0 BDAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000105871008 384885163 /nfs/dbraw/zinc/88/51/63/384885163.db2.gz LYQNKMQTAPKPNQ-AAEUAGOBSA-N 1 0 242.326 1.944 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)N=c1[nH]c2ccccc2[nH]1 ZINC000336097135 384887112 /nfs/dbraw/zinc/88/71/12/384887112.db2.gz SOXJPYCZCCUBAS-SFYZADRCSA-N 1 0 204.277 1.132 10 0 BDAERO COC(=O)[C@@]1(C)CCCN1C/C=C/Cl ZINC000186370940 384838381 /nfs/dbraw/zinc/83/83/81/384838381.db2.gz ZAZBYDDDZYVOJC-DFVUYQKZSA-N 1 0 217.696 1.766 10 0 BDAERO COC(=O)[C@@]1(C)CCC[N@@H+]1CCSC ZINC000186378174 384838597 /nfs/dbraw/zinc/83/85/97/384838597.db2.gz UNTBPXDMHOHZTG-SNVBAGLBSA-N 1 0 217.334 1.377 10 0 BDAERO Cc1nc(SC[C@H]2CCCC[NH2+]2)n[nH]1 ZINC000043495582 384854968 /nfs/dbraw/zinc/85/49/68/384854968.db2.gz APTMGCUYKYUIHG-MRVPVSSYSA-N 1 0 212.322 1.347 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CC2CCC(C)CC2)C1 ZINC000310145079 384858210 /nfs/dbraw/zinc/85/82/10/384858210.db2.gz NTAAXXOEVBZYKP-NWINJMCUSA-N 1 0 241.375 1.894 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(N(C)C)s1 ZINC000127318322 384860083 /nfs/dbraw/zinc/86/00/83/384860083.db2.gz JOFBMSWKTKKEIF-WCBMZHEXSA-N 1 0 241.360 1.476 10 0 BDAERO c1ccc2oc(SC3C[NH2+]C3)nc2c1 ZINC000054931764 384862153 /nfs/dbraw/zinc/86/21/53/384862153.db2.gz FKOSZDMIGLKXTM-UHFFFAOYSA-N 1 0 206.270 1.892 10 0 BDAERO Cc1ccc2c(c1)NC(=O)[C@]21CC[NH2+]C1 ZINC000107144444 384951887 /nfs/dbraw/zinc/95/18/87/384951887.db2.gz GKKYZSZUOCKPHT-LBPRGKRZSA-N 1 0 202.257 1.178 10 0 BDAERO C(N1CCO[C@@H]2CCCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992581 384895610 /nfs/dbraw/zinc/89/56/10/384895610.db2.gz USLSCUCRKJVHNE-CEUNDQEZSA-N 1 0 236.359 1.382 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])Cn2c(Br)cnc21 ZINC000156231121 384896310 /nfs/dbraw/zinc/89/63/10/384896310.db2.gz YYTZYVHNURYVOH-RITPCOANSA-N 1 0 230.109 1.480 10 0 BDAERO [NH3+]C[C@H]1COc2ccc(Br)cc21 ZINC000084783576 384899898 /nfs/dbraw/zinc/89/98/98/384899898.db2.gz KHQPWMKLXVVNNU-LURJTMIESA-N 1 0 228.089 1.884 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2CC2)C1 ZINC000156638214 384903566 /nfs/dbraw/zinc/90/35/66/384903566.db2.gz ZZRXBNOAICXQDK-PWSUYJOCSA-N 1 0 239.363 1.424 10 0 BDAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000106423988 384917285 /nfs/dbraw/zinc/91/72/85/384917285.db2.gz HFJLFTWZDCLHLZ-AWEZNQCLSA-N 1 0 246.354 1.782 10 0 BDAERO Cn1c2ccccc2nc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000335578765 384929942 /nfs/dbraw/zinc/92/99/42/384929942.db2.gz GSFFXPCOWWJUMF-MNOVXSKESA-N 1 0 244.342 1.677 10 0 BDAERO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(Cl)o1 ZINC000644519586 384932363 /nfs/dbraw/zinc/93/23/63/384932363.db2.gz QFIFFPCNZMVWQO-VIFPVBQESA-N 1 0 247.722 1.809 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](N=c2[nH]c3ccccc3o2)C1 ZINC000335579854 384932379 /nfs/dbraw/zinc/93/23/79/384932379.db2.gz JKXGHJDYEXUYCX-VHSXEESVSA-N 1 0 231.299 1.932 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[NH2+]C[C@H]12 ZINC000057219113 384935548 /nfs/dbraw/zinc/93/55/48/384935548.db2.gz ZEPBJFKMOKRPMT-LPEHRKFASA-N 1 0 226.320 1.509 10 0 BDAERO COCC[C@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368002203 384945138 /nfs/dbraw/zinc/94/51/38/384945138.db2.gz USUQXVLKXAHIOX-UWVGGRQHSA-N 1 0 223.320 1.282 10 0 BDAERO COc1ccc(C)cc1CNC[C@@H]1CC[NH2+]C1 ZINC000258838469 384946199 /nfs/dbraw/zinc/94/61/99/384946199.db2.gz GUZWXWCSNIWSMV-GFCCVEGCSA-N 1 0 234.343 1.703 10 0 BDAERO COc1ccc(CC2CC[NH2+]CC2)cn1 ZINC000150230779 384970155 /nfs/dbraw/zinc/97/01/55/384970155.db2.gz IJNSDVVTPRUQAI-UHFFFAOYSA-N 1 0 206.289 1.632 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)sn1 ZINC000404461169 385010251 /nfs/dbraw/zinc/01/02/51/385010251.db2.gz RKVMKPNJVVUXPL-PSASIEDQSA-N 1 0 239.344 1.208 10 0 BDAERO CC(C)C1([NH2+]C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000339515064 385010491 /nfs/dbraw/zinc/01/04/91/385010491.db2.gz YOJKYSGFBHBCET-LLVKDONJSA-N 1 0 245.388 1.589 10 0 BDAERO COC(C)(C)CN(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000404235658 384962827 /nfs/dbraw/zinc/96/28/27/384962827.db2.gz KWXJEECIZYNJBO-LLVKDONJSA-N 1 0 242.363 1.402 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccns1 ZINC000404280986 384964354 /nfs/dbraw/zinc/96/43/54/384964354.db2.gz DYAPSEYCXDBECE-WDEREUQCSA-N 1 0 237.372 1.812 10 0 BDAERO Cc1cc2c(NC[C@H](C)C[NH3+])nccn2n1 ZINC000157028137 385049742 /nfs/dbraw/zinc/04/97/42/385049742.db2.gz ZWSCQXCUAZABKX-MRVPVSSYSA-N 1 0 219.292 1.044 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+]C1CCSCC1)C2 ZINC000377489892 385073517 /nfs/dbraw/zinc/07/35/17/385073517.db2.gz ATSPGEQNLRNPPT-LLVKDONJSA-N 1 0 237.372 1.683 10 0 BDAERO CN[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711558 385073730 /nfs/dbraw/zinc/07/37/30/385073730.db2.gz GTXHNPWDYKJJAG-MRVPVSSYSA-N 1 0 204.195 1.323 10 0 BDAERO CN(Cc1ccns1)[C@H]1CCC[NH2+]CC1 ZINC000404513127 385025842 /nfs/dbraw/zinc/02/58/42/385025842.db2.gz SDQBNWPUAFZQSA-JTQLQIEISA-N 1 0 225.361 1.717 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CC12CC2 ZINC000423601451 385034801 /nfs/dbraw/zinc/03/48/01/385034801.db2.gz GRCXGHAGDRVHNC-IVZWLZJFSA-N 1 0 208.305 1.043 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2[C@H]2CCCC[C@@H]2O)cn1 ZINC000245620985 385036531 /nfs/dbraw/zinc/03/65/31/385036531.db2.gz NRHLXIMVEDHILI-IHRRRGAJSA-N 1 0 249.358 1.861 10 0 BDAERO Cc1ccnc(OCC2CC[NH2+]CC2)n1 ZINC000061859904 385142196 /nfs/dbraw/zinc/14/21/96/385142196.db2.gz LJNMTCZCCRVONG-UHFFFAOYSA-N 1 0 207.277 1.163 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647302806 385134723 /nfs/dbraw/zinc/13/47/23/385134723.db2.gz SCULRCIFMYRFNM-SCZZXKLOSA-N 1 0 246.301 1.821 10 0 BDAERO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000309133083 385105477 /nfs/dbraw/zinc/10/54/77/385105477.db2.gz RKFIIQMCVGMKGO-DTWKUNHWSA-N 1 0 212.293 1.263 10 0 BDAERO Cc1nnc(-c2cccc(NC(=O)[C@H](C)[NH3+])c2)o1 ZINC000157361879 385151695 /nfs/dbraw/zinc/15/16/95/385151695.db2.gz CFPGLQNDDRGYOW-ZETCQYMHSA-N 1 0 246.270 1.331 10 0 BDAERO Nc1ccc(OCC[NH+]2CCCCC2)cc1N ZINC000165995596 385214071 /nfs/dbraw/zinc/21/40/71/385214071.db2.gz FBAVZLKNFCQLJV-UHFFFAOYSA-N 1 0 235.331 1.716 10 0 BDAERO CCOC[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000044723407 385218722 /nfs/dbraw/zinc/21/87/22/385218722.db2.gz XPHCHYIRIRLCTH-TUAOUCFPSA-N 1 0 215.337 1.695 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2c[nH]nc2C2CC2)C1 ZINC000190287044 385229288 /nfs/dbraw/zinc/22/92/88/385229288.db2.gz AIXFBYKCMQUTCE-SNVBAGLBSA-N 1 0 248.330 1.063 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000308927813 385290544 /nfs/dbraw/zinc/29/05/44/385290544.db2.gz QKQZMWGGWDMNJM-IJLUTSLNSA-N 1 0 207.321 1.826 10 0 BDAERO Cc1nc([C@@H]2C[NH2+]C[C@@H]2c2ccncc2)no1 ZINC000409424465 385331314 /nfs/dbraw/zinc/33/13/14/385331314.db2.gz VLUGGYJZENTSNB-GHMZBOCLSA-N 1 0 230.271 1.244 10 0 BDAERO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@H]1CCCO1 ZINC000308986717 385331985 /nfs/dbraw/zinc/33/19/85/385331985.db2.gz JYJDLCXNOPMPBB-NOOOWODRSA-N 1 0 212.337 1.094 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)C1CCC1 ZINC000308991589 385336335 /nfs/dbraw/zinc/33/63/35/385336335.db2.gz LGWWHMOQVJKAIW-NGZCFLSTSA-N 1 0 210.321 1.432 10 0 BDAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000643984532 385350842 /nfs/dbraw/zinc/35/08/42/385350842.db2.gz VQNLYKKRPGMDCV-VXNVDRBHSA-N 1 0 232.274 1.146 10 0 BDAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000643984530 385351854 /nfs/dbraw/zinc/35/18/54/385351854.db2.gz VQNLYKKRPGMDCV-CBAPKCEASA-N 1 0 232.274 1.146 10 0 BDAERO CCC[C@H](C(=O)N[C@H](C)C1CC1)[NH+](C)C ZINC000179267439 385372205 /nfs/dbraw/zinc/37/22/05/385372205.db2.gz RSQXETBNFQMQPF-MWLCHTKSSA-N 1 0 212.337 1.631 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000291280215 385382102 /nfs/dbraw/zinc/38/21/02/385382102.db2.gz UPKRTIBJGXOGPK-HTRCEHHLSA-N 1 0 215.247 1.856 10 0 BDAERO COCC[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000371896741 385391814 /nfs/dbraw/zinc/39/18/14/385391814.db2.gz ADXVWWUEEQOZBF-WDEREUQCSA-N 1 0 223.320 1.213 10 0 BDAERO Cc1sccc1C[NH2+][C@@H]1CCCNC1=O ZINC000309090673 385411990 /nfs/dbraw/zinc/41/19/90/385411990.db2.gz DKCQOMIKMBUHMO-SNVBAGLBSA-N 1 0 224.329 1.425 10 0 BDAERO CCN(CC[NH3+])c1nc2ccccc2[nH]1 ZINC000165937170 385426248 /nfs/dbraw/zinc/42/62/48/385426248.db2.gz LOUYVZULAQYCHK-UHFFFAOYSA-N 1 0 204.277 1.348 10 0 BDAERO Cc1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1C ZINC000179173517 385448223 /nfs/dbraw/zinc/44/82/23/385448223.db2.gz NRTNQWMSCMUPOE-GFCCVEGCSA-N 1 0 232.331 1.378 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000156421237 385450477 /nfs/dbraw/zinc/45/04/77/385450477.db2.gz QTJZLDBYPKAORP-NSHDSACASA-N 1 0 205.305 1.619 10 0 BDAERO Cc1ccsc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170863675 385451722 /nfs/dbraw/zinc/45/17/22/385451722.db2.gz HLLGGUHTQHUAMT-JTQLQIEISA-N 1 0 238.356 1.833 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000295157479 385464711 /nfs/dbraw/zinc/46/47/11/385464711.db2.gz KEHTWPLFTAYBRX-GRYCIOLGSA-N 1 0 223.320 1.347 10 0 BDAERO CCC1(O)CC[NH+](CC2(O)CCC2)CC1 ZINC000336470934 385495666 /nfs/dbraw/zinc/49/56/66/385495666.db2.gz IXGJXAIJLWFTIH-UHFFFAOYSA-N 1 0 213.321 1.138 10 0 BDAERO CCOC(=O)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183108422 385508511 /nfs/dbraw/zinc/50/85/11/385508511.db2.gz LJIYQLAWHJTGSK-GHMZBOCLSA-N 1 0 229.320 1.487 10 0 BDAERO [NH3+][C@@H]1CCN(c2ncc(Cl)s2)C1 ZINC000642989074 385489855 /nfs/dbraw/zinc/48/98/55/385489855.db2.gz PYXNZUJANLFFES-RXMQYKEDSA-N 1 0 203.698 1.334 10 0 BDAERO CCn1cc(C[NH3+])nc1Br ZINC000258175799 385547049 /nfs/dbraw/zinc/54/70/49/385547049.db2.gz MPQWDXQLGRPJIH-UHFFFAOYSA-N 1 0 204.071 1.124 10 0 BDAERO c1cc2cc([C@@H]3C[NH2+]CCO3)ccc2cn1 ZINC000258015505 385522819 /nfs/dbraw/zinc/52/28/19/385522819.db2.gz IUFCGHHGBAHYQM-ZDUSSCGKSA-N 1 0 214.268 1.896 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)C1CC1 ZINC000309365620 385550342 /nfs/dbraw/zinc/55/03/42/385550342.db2.gz BEBSYQAPRREBCW-QWRKXWFKSA-N 1 0 222.332 1.432 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000336730975 385554176 /nfs/dbraw/zinc/55/41/76/385554176.db2.gz IPHGBEWUNRTZIB-DCQANWLSSA-N 1 0 229.364 1.797 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@H](CO)C1CCCC1 ZINC000309399972 385563230 /nfs/dbraw/zinc/56/32/30/385563230.db2.gz WAPRJQZGPSKFAW-NEPJUHHUSA-N 1 0 229.364 1.534 10 0 BDAERO Cc1[nH]nc(-c2cccs2)c1CC[NH3+] ZINC000082532882 385563450 /nfs/dbraw/zinc/56/34/50/385563450.db2.gz ZQZHFGZCSWLTBV-UHFFFAOYSA-N 1 0 207.302 1.948 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)c1cccs1 ZINC000054075422 385594129 /nfs/dbraw/zinc/59/41/29/385594129.db2.gz HAQACLHIAZVKHL-RKDXNWHRSA-N 1 0 226.345 1.875 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000054077028 385594576 /nfs/dbraw/zinc/59/45/76/385594576.db2.gz BIIXYJQBGAULBO-SSDOTTSWSA-N 1 0 244.697 1.703 10 0 BDAERO CC[C@@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)OC ZINC000309419160 385579487 /nfs/dbraw/zinc/57/94/87/385579487.db2.gz XTAIOJPWFFKEDD-OLZOCXBDSA-N 1 0 226.364 1.582 10 0 BDAERO CCc1ncc(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000308551777 385579765 /nfs/dbraw/zinc/57/97/65/385579765.db2.gz XSLYOINTHCUKIV-IONNQARKSA-N 1 0 212.318 1.176 10 0 BDAERO Cc1n[nH]c(C)c1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306114 385616813 /nfs/dbraw/zinc/61/68/13/385616813.db2.gz XLEFBYDKFCVDLP-JTQLQIEISA-N 1 0 236.319 1.355 10 0 BDAERO CN(CC(C)(C)C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292309 385611874 /nfs/dbraw/zinc/61/18/74/385611874.db2.gz QRDHKCRRCPYRGU-NSHDSACASA-N 1 0 226.364 1.881 10 0 BDAERO CO[C@@H](C)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000182177848 385640218 /nfs/dbraw/zinc/64/02/18/385640218.db2.gz JBBBEMHIJPLLQH-QWRGUYRKSA-N 1 0 223.320 1.244 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cnn1C ZINC000414517275 385641749 /nfs/dbraw/zinc/64/17/49/385641749.db2.gz QLIXXRNGROYCRS-DLOVCJGASA-N 1 0 237.347 1.632 10 0 BDAERO C[NH+](C)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000005043917 385646307 /nfs/dbraw/zinc/64/63/07/385646307.db2.gz DIQLACZWUWDQIQ-UHFFFAOYSA-N 1 0 236.359 1.489 10 0 BDAERO FC1(F)CCC[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000307152728 385661745 /nfs/dbraw/zinc/66/17/45/385661745.db2.gz AMKDIYGKYKBDCE-IUCAKERBSA-N 1 0 204.264 1.373 10 0 BDAERO c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000309525893 385662881 /nfs/dbraw/zinc/66/28/81/385662881.db2.gz CDTRIYSSPFOIBQ-TXEJJXNPSA-N 1 0 217.316 1.517 10 0 BDAERO COC(=O)c1ccc2c(c1)[C@@H](C)[NH2+]CC2 ZINC000060053734 385681525 /nfs/dbraw/zinc/68/15/25/385681525.db2.gz FECPVEISYOJZBN-MRVPVSSYSA-N 1 0 205.257 1.680 10 0 BDAERO Fc1cccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000309546925 385682408 /nfs/dbraw/zinc/68/24/08/385682408.db2.gz DRWWGGPZRCAMOT-XYYAHUGASA-N 1 0 221.275 1.808 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2sccc2OC)C1 ZINC000414533191 385689884 /nfs/dbraw/zinc/68/98/84/385689884.db2.gz BMYHADMTCYUSEW-SNVBAGLBSA-N 1 0 240.372 1.941 10 0 BDAERO C[C@H]([NH3+])c1cccc(CN2CCOCC2)c1 ZINC000075845051 385690703 /nfs/dbraw/zinc/69/07/03/385690703.db2.gz AWJOEFPHBLIHQW-NSHDSACASA-N 1 0 220.316 1.539 10 0 BDAERO [NH3+][C@@H]1COc2c(Cl)cc(Cl)cc2[C@H]1O ZINC000211939760 385701500 /nfs/dbraw/zinc/70/15/00/385701500.db2.gz UCGVHYJDMIEGIJ-HTQZYQBOSA-N 1 0 234.082 1.747 10 0 BDAERO CCCN(CC(C)C)C(=O)[C@@H](C)[NH2+]C ZINC000308470315 385703217 /nfs/dbraw/zinc/70/32/17/385703217.db2.gz IONRVZCKMGORII-SNVBAGLBSA-N 1 0 200.326 1.489 10 0 BDAERO C[C@@H](C[NH2+]C[C@H]1CCSC1)N1CCOCC1 ZINC000309530333 385666871 /nfs/dbraw/zinc/66/68/71/385666871.db2.gz DGRZOOYSKIREBY-NWDGAFQWSA-N 1 0 244.404 1.050 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000309611145 385739712 /nfs/dbraw/zinc/73/97/12/385739712.db2.gz AFKDAMUJYGRVMW-FOGDFJRCSA-N 1 0 221.304 1.375 10 0 BDAERO Cc1cnn(Cc2csc(C[NH3+])n2)c1 ZINC000052576921 385741643 /nfs/dbraw/zinc/74/16/43/385741643.db2.gz AEWPOQFJWIXIJL-UHFFFAOYSA-N 1 0 208.290 1.155 10 0 BDAERO CCC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186193834 385752888 /nfs/dbraw/zinc/75/28/88/385752888.db2.gz LOISEULTQKJXCY-NEPJUHHUSA-N 1 0 227.348 1.960 10 0 BDAERO COC[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)OC ZINC000309681676 385786861 /nfs/dbraw/zinc/78/68/61/385786861.db2.gz ZPVXLHWBCLHVAT-WOPDTQHZSA-N 1 0 233.327 1.766 10 0 BDAERO Cc1nc([C@@H]([NH3+])C2(CO)CCC2)cs1 ZINC000306812373 385805117 /nfs/dbraw/zinc/80/51/17/385805117.db2.gz ZBGRNEQNSDMILW-SECBINFHSA-N 1 0 212.318 1.614 10 0 BDAERO C/C(=C\Cl)CN1CC[NH2+]C[C@@H](C)C1 ZINC000307312189 385842531 /nfs/dbraw/zinc/84/25/31/385842531.db2.gz GFXBNDADPAPSSF-NAZIUFLLSA-N 1 0 202.729 1.670 10 0 BDAERO CC(C)(O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000271595753 385848680 /nfs/dbraw/zinc/84/86/80/385848680.db2.gz SYGNPKZULLCRHG-CYBMUJFWSA-N 1 0 235.327 1.349 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1F ZINC000215990529 385855159 /nfs/dbraw/zinc/85/51/59/385855159.db2.gz WIFXOHJUEUAOFL-MWLCHTKSSA-N 1 0 237.274 1.692 10 0 BDAERO C[C@H]1CC[C@](C[NH3+])(N2CCC2)CS1 ZINC000575535529 385900966 /nfs/dbraw/zinc/90/09/66/385900966.db2.gz WYCBHQGQRKYWKJ-VHSXEESVSA-N 1 0 200.351 1.305 10 0 BDAERO C[C@@]1(C[C@H]2CCOC2)[NH2+]CCCS1 ZINC000575534955 385902075 /nfs/dbraw/zinc/90/20/75/385902075.db2.gz YYYIEIPGRYGYAV-NXEZZACHSA-N 1 0 201.335 1.856 10 0 BDAERO CC(C)c1nsc(N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000308827868 385878669 /nfs/dbraw/zinc/87/86/69/385878669.db2.gz IKHLFFGJPDWLMG-SFYZADRCSA-N 1 0 226.349 1.587 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1CNC(=O)C(F)(F)F ZINC000575539247 385939243 /nfs/dbraw/zinc/93/92/43/385939243.db2.gz UYSIXVCKKSLWLA-RQJHMYQMSA-N 1 0 224.226 1.053 10 0 BDAERO FC(F)c1nnc(NCC[NH2+]C2CC2)s1 ZINC000309066593 385950643 /nfs/dbraw/zinc/95/06/43/385950643.db2.gz ZWADSTJVUYFSTG-UHFFFAOYSA-N 1 0 234.275 1.640 10 0 BDAERO CC/C=C\CC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000342205009 385955760 /nfs/dbraw/zinc/95/57/60/385955760.db2.gz PMSFDMOGGAQPMJ-NQHOJNORSA-N 1 0 249.358 1.940 10 0 BDAERO Cc1nc(C)c(C[N@H+]2C[C@@H](O)CC[C@@H]2C)o1 ZINC000643254814 385993931 /nfs/dbraw/zinc/99/39/31/385993931.db2.gz QZSLCYZXTUQTFV-KWQFWETISA-N 1 0 224.304 1.637 10 0 BDAERO 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CCCC[C@@H](COC)[NH2+][C@@H](C(=O)NC)C(C)C ZINC000187812955 387215015 /nfs/dbraw/zinc/21/50/15/387215015.db2.gz VRNVHBGHSNQKBH-NWDGAFQWSA-N 1 0 244.379 1.552 10 0 BDAERO Cc1nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c[nH]1 ZINC000265085110 387226416 /nfs/dbraw/zinc/22/64/16/387226416.db2.gz RHVSTJRCLWXDQP-KOLCDFICSA-N 1 0 248.330 1.027 10 0 BDAERO C[C@@H]([C@@H]1CCC[NH2+]1)n1cc(Br)cn1 ZINC000575484198 387197652 /nfs/dbraw/zinc/19/76/52/387197652.db2.gz XSTKFVDHCAJFSS-CBAPKCEASA-N 1 0 244.136 1.959 10 0 BDAERO Cn1cc(Br)c([C@@H]([NH3+])C2CCC2)n1 ZINC000575484416 387198659 /nfs/dbraw/zinc/19/86/59/387198659.db2.gz UVFWSOZWWWSEOK-QMMMGPOBSA-N 1 0 244.136 1.983 10 0 BDAERO CC[C@@H](C)C[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000121229540 387316896 /nfs/dbraw/zinc/31/68/96/387316896.db2.gz PMVDGIPPFVWYGM-CHWSQXEVSA-N 1 0 228.380 1.421 10 0 BDAERO CCC[C@H](C(=O)N[C@H](C)CCOC)[NH+](C)C ZINC000161901082 387280216 /nfs/dbraw/zinc/28/02/16/387280216.db2.gz HPRXCACERHCVHR-GHMZBOCLSA-N 1 0 230.352 1.258 10 0 BDAERO COc1cccc(OCC2CC2)c1C[NH3+] ZINC000575601346 387362220 /nfs/dbraw/zinc/36/22/20/387362220.db2.gz AORRWYMTTJBZMP-UHFFFAOYSA-N 1 0 207.273 1.943 10 0 BDAERO Cn1c(Cl)ncc1[C@@H](N)C(C)(F)F ZINC000575506724 387372124 /nfs/dbraw/zinc/37/21/24/387372124.db2.gz HSFJNZPSUXBJBE-RXMQYKEDSA-N 1 0 209.627 1.729 10 0 BDAERO CCc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)nc1 ZINC000393096468 387320614 /nfs/dbraw/zinc/32/06/14/387320614.db2.gz OEXAOXYLYWLLMF-GWCFXTLKSA-N 1 0 247.342 1.401 10 0 BDAERO C[C@@H]1C[C@@](O)(C(F)(F)Br)CC[NH2+]1 ZINC000575512328 387385082 /nfs/dbraw/zinc/38/50/82/387385082.db2.gz NGHBWHGZMCPQAS-PHDIDXHHSA-N 1 0 244.079 1.477 10 0 BDAERO CCN(CC)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000108644892 387345503 /nfs/dbraw/zinc/34/55/03/387345503.db2.gz ISMNBBBVTLLXIL-LBPRGKRZSA-N 1 0 239.363 1.618 10 0 BDAERO C[C@@H]1C[NH2+]C[C@](F)(c2cncs2)C1 ZINC000575518351 387437727 /nfs/dbraw/zinc/43/77/27/387437727.db2.gz NMLPFKSCAWUKMW-CBAPKCEASA-N 1 0 200.282 1.937 10 0 BDAERO CC1(C)C[C@]2(CC[NH2+]1)NCCCS2 ZINC000575512334 387385646 /nfs/dbraw/zinc/38/56/46/387385646.db2.gz NKGFBRMVLRNOAT-SNVBAGLBSA-N 1 0 200.351 1.571 10 0 BDAERO [NH3+][C@@H](c1cncs1)[C@H]1CSCCS1 ZINC000575513739 387386999 /nfs/dbraw/zinc/38/69/99/387386999.db2.gz FYLCMKHCEHNIEY-SFYZADRCSA-N 1 0 232.399 1.992 10 0 BDAERO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000648080237 387511041 /nfs/dbraw/zinc/51/10/41/387511041.db2.gz LWJZQGHEEJITNE-INTQDDNPSA-N 1 0 210.321 1.419 10 0 BDAERO CC[C@@H](C[N@@H+]1CCC[C@H]1CCCO)OC ZINC000396999694 387532096 /nfs/dbraw/zinc/53/20/96/387532096.db2.gz FKCUSYHITMVWDT-RYUDHWBXSA-N 1 0 215.337 1.648 10 0 BDAERO [NH3+]C1CCC(C(=O)NC2(C3CC3)CC2)CC1 ZINC000648084750 387532407 /nfs/dbraw/zinc/53/24/07/387532407.db2.gz WRVIHSGXBZSNMP-UHFFFAOYSA-N 1 0 222.332 1.563 10 0 BDAERO C[C@H](NC1=[NH+]CCS1)c1cscn1 ZINC000575526708 387535705 /nfs/dbraw/zinc/53/57/05/387535705.db2.gz WZADIQWZMKXFSE-LURJTMIESA-N 1 0 213.331 1.897 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000310278564 387536581 /nfs/dbraw/zinc/53/65/81/387536581.db2.gz VLZAGSNHBDNJCN-ZDUSSCGKSA-N 1 0 241.375 1.896 10 0 BDAERO C/C(=C/Cl)C[C@@]1([NH3+])CCS(=O)(=O)C1 ZINC000575528644 387538430 /nfs/dbraw/zinc/53/84/30/387538430.db2.gz UCMXVJKFKWTCPF-TVSKSKRASA-N 1 0 223.725 1.035 10 0 BDAERO CC(C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000396783848 387491130 /nfs/dbraw/zinc/49/11/30/387491130.db2.gz ORODBYCKYZMNJK-JHJVBQTASA-N 1 0 238.375 1.879 10 0 BDAERO C[NH+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000192788202 387493364 /nfs/dbraw/zinc/49/33/64/387493364.db2.gz BHWPHQLSPAFMJD-ZDUSSCGKSA-N 1 0 232.327 1.742 10 0 BDAERO COC(=O)c1cc(C[NH2+][C@H]2C[C@H]2C)n(C)c1C ZINC000291251514 387581479 /nfs/dbraw/zinc/58/14/79/387581479.db2.gz RKSXXGQUAVZSQK-PELKAZGASA-N 1 0 236.315 1.618 10 0 BDAERO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)C1CC1 ZINC000123522416 387583609 /nfs/dbraw/zinc/58/36/09/387583609.db2.gz XRAYYBHMEJBSJK-AAEUAGOBSA-N 1 0 226.364 1.485 10 0 BDAERO CCCn1cc(C[NH2+]CCn2cc(C)cn2)cn1 ZINC000116916850 387549604 /nfs/dbraw/zinc/54/96/04/387549604.db2.gz NHCXRQOHRBWPPQ-UHFFFAOYSA-N 1 0 247.346 1.588 10 0 BDAERO C[C@H]1CC[C@H]([NH2+]C2CN(C)C2)CS1 ZINC000575533662 387554303 /nfs/dbraw/zinc/55/43/03/387554303.db2.gz CPFJKPYXIBDYSY-IUCAKERBSA-N 1 0 200.351 1.174 10 0 BDAERO Cc1nc(N(C)Cc2ccccc2)nc(NN)[nH+]1 ZINC000575548688 387645951 /nfs/dbraw/zinc/64/59/51/387645951.db2.gz FZVOBBKPBZCRHK-UHFFFAOYSA-N 1 0 244.302 1.102 10 0 BDAERO CC(C)[C@H]1C[NH2+]CCN1C1CSC1 ZINC000575548758 387646517 /nfs/dbraw/zinc/64/65/17/387646517.db2.gz GQCZBCXPRLGWTR-SNVBAGLBSA-N 1 0 200.351 1.032 10 0 BDAERO Cc1csc(CC2([NH3+])CSC2)n1 ZINC000575549155 387647767 /nfs/dbraw/zinc/64/77/67/387647767.db2.gz IDQSXMMQKBUPJU-UHFFFAOYSA-N 1 0 200.332 1.438 10 0 BDAERO C(CN1CC[N@@H+]2CCC[C@@H]2C1)OC1CCC1 ZINC000376554170 387651814 /nfs/dbraw/zinc/65/18/14/387651814.db2.gz PSJSXDPUZZDKKI-GFCCVEGCSA-N 1 0 224.348 1.336 10 0 BDAERO [NH3+]C1(Cc2cncc(Cl)c2)CSC1 ZINC000575553841 387658756 /nfs/dbraw/zinc/65/87/56/387658756.db2.gz KHGYKXMLQPRAIO-UHFFFAOYSA-N 1 0 214.721 1.722 10 0 BDAERO Cc1cc(C[NH2+]CCN2CC=CCC2)ccn1 ZINC000527700941 387666212 /nfs/dbraw/zinc/66/62/12/387666212.db2.gz MEWWGFODJCVGGZ-UHFFFAOYSA-N 1 0 231.343 1.742 10 0 BDAERO C[C@@H]1[C@@H](CC[NH3+])CN1C(=O)OC(C)(C)C ZINC000575447760 387692436 /nfs/dbraw/zinc/69/24/36/387692436.db2.gz SZBDDZNBOAMQKF-BDAKNGLRSA-N 1 0 214.309 1.591 10 0 BDAERO CC(C)[C@H]([NH3+])CCN(C)c1ncc(F)cn1 ZINC000128527531 387749404 /nfs/dbraw/zinc/74/94/04/387749404.db2.gz JCRUJFBZJIPADS-SNVBAGLBSA-N 1 0 226.299 1.425 10 0 BDAERO C[C@H]1CSC[C@]1([NH3+])Cc1cncs1 ZINC000575562434 387704514 /nfs/dbraw/zinc/70/45/14/387704514.db2.gz ZPOURHVNHXDYKY-IONNQARKSA-N 1 0 214.359 1.766 10 0 BDAERO [NH3+][C@@]1(c2ccc(Cl)s2)CCOC1 ZINC000575566845 387734747 /nfs/dbraw/zinc/73/47/47/387734747.db2.gz GTIXRDCAMHADFU-QMMMGPOBSA-N 1 0 203.694 1.976 10 0 BDAERO [NH3+]C1CC(Oc2ccc(Br)nn2)C1 ZINC000575567078 387734785 /nfs/dbraw/zinc/73/47/85/387734785.db2.gz JAOFBIHWVZDRMH-UHFFFAOYSA-N 1 0 244.092 1.108 10 0 BDAERO CC1CC(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000309509983 387812068 /nfs/dbraw/zinc/81/20/68/387812068.db2.gz XAJHAZQRBTVCSW-VGRIYTJTSA-N 1 0 210.321 1.371 10 0 BDAERO C[C@@H](CN[C@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422979564 387788732 /nfs/dbraw/zinc/78/87/32/387788732.db2.gz JVGDLZQUFWCTPE-RYUDHWBXSA-N 1 0 220.316 1.405 10 0 BDAERO C[C@@H](CN[C@@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422979562 387789601 /nfs/dbraw/zinc/78/96/01/387789601.db2.gz JVGDLZQUFWCTPE-NWDGAFQWSA-N 1 0 220.316 1.405 10 0 BDAERO C=Cn1cc(CN(C)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000193923143 387811075 /nfs/dbraw/zinc/81/10/75/387811075.db2.gz WOTMQFPRXCUNIZ-AWEZNQCLSA-N 1 0 248.374 1.900 10 0 BDAERO CC(=O)c1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062116233 387850397 /nfs/dbraw/zinc/85/03/97/387850397.db2.gz KPFMANBEPQPEHB-NSHDSACASA-N 1 0 232.283 1.437 10 0 BDAERO CCOC1CC(CCN[C@@H]2CC[NH2+]C2)C1 ZINC000423074802 387874043 /nfs/dbraw/zinc/87/40/43/387874043.db2.gz VIZAVTWUZBCMKL-MOENNCHZSA-N 1 0 212.337 1.143 10 0 BDAERO CC(=O)c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000062116232 387850681 /nfs/dbraw/zinc/85/06/81/387850681.db2.gz KPFMANBEPQPEHB-LLVKDONJSA-N 1 0 232.283 1.437 10 0 BDAERO Cc1c(C[NH2+]CCOC(F)(F)F)cnn1C ZINC000235754994 387855544 /nfs/dbraw/zinc/85/55/44/387855544.db2.gz KUOUXTSTJRSIAT-UHFFFAOYSA-N 1 0 237.225 1.355 10 0 BDAERO CC[C@@H]([NH3+])CNc1ncc(Cl)cn1 ZINC000158697218 134824501 /nfs/dbraw/zinc/82/45/01/134824501.db2.gz KIJHXXKOFDXEJW-SSDOTTSWSA-N 1 0 200.673 1.279 10 0 BDAERO CCCCCC(=O)NC[C@@H]1CN(C)CCO1 ZINC000194634932 387887715 /nfs/dbraw/zinc/88/77/15/387887715.db2.gz LWKMKUDPPZBAAN-LLVKDONJSA-N 1 0 228.336 1.014 10 0 BDAERO CC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509410 387918891 /nfs/dbraw/zinc/91/88/91/387918891.db2.gz URRGMLRVPCGEFL-UHFFFAOYSA-N 1 0 223.320 1.075 10 0 BDAERO COCCO[C@@H]1CC[C@H](C(F)(F)F)C[C@H]1[NH3+] ZINC000238850462 387935981 /nfs/dbraw/zinc/93/59/81/387935981.db2.gz BTHKLTHNADHFKV-DJLDLDEBSA-N 1 0 241.253 1.708 10 0 BDAERO CC[N@@H+]1CC[C@@]2(C1)NCC[C@@H](C)S2 ZINC000306154627 387926656 /nfs/dbraw/zinc/92/66/56/387926656.db2.gz BLMHQQYZGCTRAQ-NXEZZACHSA-N 1 0 200.351 1.523 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccn1C ZINC000245729723 387979330 /nfs/dbraw/zinc/97/93/30/387979330.db2.gz JMABKBOBCLTKEB-OCCSQVGLSA-N 1 0 233.359 1.694 10 0 BDAERO CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000245997530 388001472 /nfs/dbraw/zinc/00/14/72/388001472.db2.gz JHYXEAWAHCUMAU-PWSUYJOCSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000246216556 388021050 /nfs/dbraw/zinc/02/10/50/388021050.db2.gz KZEDPDMOSNGLPT-MELADBBJSA-N 1 0 242.407 1.810 10 0 BDAERO CCCCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000082559508 388036432 /nfs/dbraw/zinc/03/64/32/388036432.db2.gz IOIHUQDXXNKLHE-ZYHUDNBSSA-N 1 0 224.348 1.633 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000156821610 388036958 /nfs/dbraw/zinc/03/69/58/388036958.db2.gz SWYXFWANOYCVPG-SRVKXCTJSA-N 1 0 215.337 1.552 10 0 BDAERO COCCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000082725337 388040074 /nfs/dbraw/zinc/04/00/74/388040074.db2.gz ZYSSEGNFPHNCKU-QWHCGFSZSA-N 1 0 226.364 1.582 10 0 BDAERO [NH3+][C@H]1CC(=O)N(Cc2ccc(Cl)s2)C1 ZINC000070600854 388059976 /nfs/dbraw/zinc/05/99/76/388059976.db2.gz HBMKYOXSIIPXRI-LURJTMIESA-N 1 0 230.720 1.461 10 0 BDAERO CC1CCC(C[NH2+]C[C@@H]2COCCO2)CC1 ZINC000084339327 388076843 /nfs/dbraw/zinc/07/68/43/388076843.db2.gz AVUJICDWPNYMKK-WXRRBKDZSA-N 1 0 227.348 1.818 10 0 BDAERO CCCCOC[C@H](O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000195178618 388115231 /nfs/dbraw/zinc/11/52/31/388115231.db2.gz JIINIMLYJIFLQJ-RWMBFGLXSA-N 1 0 245.363 1.273 10 0 BDAERO CC[C@@H]([NH2+]C[C@H](O)CN(C)C)C(C)(C)C ZINC000336660223 388089642 /nfs/dbraw/zinc/08/96/42/388089642.db2.gz BTWWSIJNJVMMRF-WDEREUQCSA-N 1 0 216.369 1.323 10 0 BDAERO O=C1CC[NH2+]C[C@H]1Cc1ccc(F)cc1 ZINC000071510265 388096411 /nfs/dbraw/zinc/09/64/11/388096411.db2.gz QIDDAWDOCZVXKI-SNVBAGLBSA-N 1 0 207.248 1.547 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCCc1ccccn1 ZINC000646256714 388170732 /nfs/dbraw/zinc/17/07/32/388170732.db2.gz FKIFAMMUBRNVBN-CYBMUJFWSA-N 1 0 249.358 1.504 10 0 BDAERO CN(C(=O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000646089961 388140329 /nfs/dbraw/zinc/14/03/29/388140329.db2.gz ORXGZOBMNRJZEI-MVWJERBFSA-N 1 0 222.332 1.385 10 0 BDAERO C[C@@H]1CC[C@H](C)N(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000084049767 256564601 /nfs/dbraw/zinc/56/46/01/256564601.db2.gz IIKRZRPXLICNFR-MDZLAQPJSA-N 1 0 224.348 1.776 10 0 BDAERO C[NH+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000152751562 388344509 /nfs/dbraw/zinc/34/45/09/388344509.db2.gz AFBVFBXNASHDDC-VXGBXAGGSA-N 1 0 224.348 1.729 10 0 BDAERO Cc1c(C[NH2+]C2CC(F)(F)C2)cnn1C ZINC000277614187 388354290 /nfs/dbraw/zinc/35/42/90/388354290.db2.gz JLWZKWVCDNOZEJ-UHFFFAOYSA-N 1 0 215.247 1.616 10 0 BDAERO CC(=O)[C@@]1(N)CC[N@H+](Cc2ccccc2)C1 ZINC000575524924 388358754 /nfs/dbraw/zinc/35/87/54/388358754.db2.gz UARAMFBYTNHSFE-CYBMUJFWSA-N 1 0 218.300 1.179 10 0 BDAERO C[C@@H]1OCC[C@H]1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000300373023 388363768 /nfs/dbraw/zinc/36/37/68/388363768.db2.gz GNYIVHUFNVLBGQ-AVGNSLFASA-N 1 0 224.348 1.191 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCNC(=O)C1 ZINC000300387964 388364489 /nfs/dbraw/zinc/36/44/89/388364489.db2.gz QEOIOGASEYMUCN-MXWKQRLJSA-N 1 0 210.321 1.433 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccon1 ZINC000328176773 388405741 /nfs/dbraw/zinc/40/57/41/388405741.db2.gz LLWRLDIDBBTPAY-ONGXEEELSA-N 1 0 210.277 1.315 10 0 BDAERO C[C@@H]([NH3+])CNc1ccc(OC(F)F)cn1 ZINC000327598792 388379534 /nfs/dbraw/zinc/37/95/34/388379534.db2.gz IJESAXWIUXMILC-ZCFIWIBFSA-N 1 0 217.219 1.442 10 0 BDAERO Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000164802774 388384678 /nfs/dbraw/zinc/38/46/78/388384678.db2.gz DRHGHMHYUZSFGI-NSHDSACASA-N 1 0 233.315 1.718 10 0 BDAERO COC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000228639907 388386817 /nfs/dbraw/zinc/38/68/17/388386817.db2.gz CQYCCBIRTFAKLY-CABZTGNLSA-N 1 0 241.287 1.163 10 0 BDAERO COC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000228639922 388386889 /nfs/dbraw/zinc/38/68/89/388386889.db2.gz CQYCCBIRTFAKLY-SKDRFNHKSA-N 1 0 241.287 1.163 10 0 BDAERO FC(F)Oc1ccc(NCC[NH2+]C2CC2)nc1 ZINC000327873258 388394349 /nfs/dbraw/zinc/39/43/49/388394349.db2.gz KHSMKCKIMZCNPE-UHFFFAOYSA-N 1 0 243.257 1.847 10 0 BDAERO C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000300984908 388396786 /nfs/dbraw/zinc/39/67/86/388396786.db2.gz SNNITBVOBHPVAZ-UTLUCORTSA-N 1 0 218.291 1.701 10 0 BDAERO CC(C)OC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000308759953 388449059 /nfs/dbraw/zinc/44/90/59/388449059.db2.gz WVPJUSUJQWOAIV-UHFFFAOYSA-N 1 0 228.336 1.995 10 0 BDAERO C[NH+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000026980456 388450946 /nfs/dbraw/zinc/45/09/46/388450946.db2.gz DYZHJGYWAJRDAJ-UHFFFAOYSA-N 1 0 232.283 1.234 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCc2cccnc2)C1 ZINC000335587922 388451307 /nfs/dbraw/zinc/45/13/07/388451307.db2.gz BIMNKRXEBCCFSO-DGCLKSJQSA-N 1 0 220.316 1.327 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C1CC(F)(F)C1 ZINC000336122202 388456170 /nfs/dbraw/zinc/45/61/70/388456170.db2.gz NLNLAPSNIIJXJX-IONNQARKSA-N 1 0 232.274 1.275 10 0 BDAERO CC[C@H]([NH3+])CNC(=O)OCc1ccccc1 ZINC000039952288 388411006 /nfs/dbraw/zinc/41/10/06/388411006.db2.gz AIGKIQKESHOKBW-NSHDSACASA-N 1 0 222.288 1.650 10 0 BDAERO Cc1cnccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000295729282 388413537 /nfs/dbraw/zinc/41/35/37/388413537.db2.gz OBZRUHGCIQYRSD-STQMWFEESA-N 1 0 220.316 1.641 10 0 BDAERO C[NH+](C)CCOc1ccc(F)cc1C=O ZINC000040541780 388420720 /nfs/dbraw/zinc/42/07/20/388420720.db2.gz BSPSHWZATHPVPS-UHFFFAOYSA-N 1 0 211.236 1.579 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)[C@H]2C[C@H]2C)c1 ZINC000322291105 388430348 /nfs/dbraw/zinc/43/03/48/388430348.db2.gz CDXDYBIPXZQBHQ-UTUOFQBUSA-N 1 0 207.321 1.826 10 0 BDAERO C[C@H]1Oc2ccccc2C=C1[C@H](C[NH3+])N(C)C ZINC000041166618 388431717 /nfs/dbraw/zinc/43/17/17/388431717.db2.gz NEQZSYHZFHWQLS-MFKMUULPSA-N 1 0 232.327 1.740 10 0 BDAERO Cc1ccc([C@@H](O)C[NH+]2CCC(O)CC2)cc1C ZINC000070459834 388437243 /nfs/dbraw/zinc/43/72/43/388437243.db2.gz VZCLQNYWWADQFI-HNNXBMFYSA-N 1 0 249.354 1.794 10 0 BDAERO O=C(CN1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000070459543 388437384 /nfs/dbraw/zinc/43/73/84/388437384.db2.gz KOIJIQOYQXOCFK-UHFFFAOYSA-N 1 0 240.253 1.053 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CC1(C)C ZINC000397573804 388480142 /nfs/dbraw/zinc/48/01/42/388480142.db2.gz CUNJRXAVUQLGIN-UPJWGTAASA-N 1 0 240.391 1.731 10 0 BDAERO COC[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000034936854 388493118 /nfs/dbraw/zinc/49/31/18/388493118.db2.gz MEXIMSZYETZZMI-MNOVXSKESA-N 1 0 242.363 1.448 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccnc2cccnc21 ZINC000341021006 388493554 /nfs/dbraw/zinc/49/35/54/388493554.db2.gz VRGNDWNAXQAHRX-QWRGUYRKSA-N 1 0 242.326 1.604 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ccnc2cccnc21 ZINC000341018444 388493793 /nfs/dbraw/zinc/49/37/93/388493793.db2.gz RCKYDARPYDZOSV-GHMZBOCLSA-N 1 0 242.326 1.591 10 0 BDAERO CCC[C@H](C)C[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344070820 388504761 /nfs/dbraw/zinc/50/47/61/388504761.db2.gz VRLSAXUXUTZPBP-QJPTWQEYSA-N 1 0 215.337 1.504 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC(F)(F)F)C1 ZINC000344704408 388508704 /nfs/dbraw/zinc/50/87/04/388508704.db2.gz AABGWSQXHXRHPV-YUMQZZPRSA-N 1 0 227.226 1.020 10 0 BDAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378809451 388509854 /nfs/dbraw/zinc/50/98/54/388509854.db2.gz ZCJDDSCOFCVJTA-MLGHIDQZSA-N 1 0 208.349 1.715 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC000135864928 388513057 /nfs/dbraw/zinc/51/30/57/388513057.db2.gz XOLQMVKBJOOVNJ-MNOVXSKESA-N 1 0 210.321 1.243 10 0 BDAERO CCC[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)OC ZINC000378833495 388517742 /nfs/dbraw/zinc/51/77/42/388517742.db2.gz TZSWPTMSIGWCGT-QWRGUYRKSA-N 1 0 217.353 1.798 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000085359163 256770431 /nfs/dbraw/zinc/77/04/31/256770431.db2.gz NIRSJYIVZQIELI-HZSPNIEDSA-N 1 0 244.338 1.918 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000528495835 388536000 /nfs/dbraw/zinc/53/60/00/388536000.db2.gz WLNMKGHYOMGBJS-MWLCHTKSSA-N 1 0 224.348 1.679 10 0 BDAERO CO[C@H](CN1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000379205719 388597918 /nfs/dbraw/zinc/59/79/18/388597918.db2.gz LSGLPAAWMYAWCW-IACUBPJLSA-N 1 0 234.343 1.653 10 0 BDAERO C[NH2+][C@H](c1cccs1)[C@H]1COCCO1 ZINC000055299453 388598111 /nfs/dbraw/zinc/59/81/11/388598111.db2.gz FNPIRDXMXHBSMC-SCZZXKLOSA-N 1 0 213.302 1.424 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC000082432341 388615619 /nfs/dbraw/zinc/61/56/19/388615619.db2.gz DTQZSBVWAXTUTB-JTQLQIEISA-N 1 0 228.336 1.805 10 0 BDAERO CC[C@@H](C)[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000361130768 388559937 /nfs/dbraw/zinc/55/99/37/388559937.db2.gz ZSDFDDKPBRHGMT-PSASIEDQSA-N 1 0 208.309 1.289 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+][C@@H]1CCCSC1)C2 ZINC000367821052 388566501 /nfs/dbraw/zinc/56/65/01/388566501.db2.gz MSEIXDNUCQUKEK-GHMZBOCLSA-N 1 0 237.372 1.683 10 0 BDAERO c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CCCSC1)C2 ZINC000367821062 388566583 /nfs/dbraw/zinc/56/65/83/388566583.db2.gz MSEIXDNUCQUKEK-WDEREUQCSA-N 1 0 237.372 1.683 10 0 BDAERO Cc1nccnc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517722175 256832002 /nfs/dbraw/zinc/83/20/02/256832002.db2.gz QIZNFPUTYHDLGP-CYBMUJFWSA-N 1 0 232.331 1.365 10 0 BDAERO C[C@@H]1C[C@@H]2[NH2+]CCCS[C@H]2[C@@H](C)O1 ZINC000252141100 388623196 /nfs/dbraw/zinc/62/31/96/388623196.db2.gz NFJOHEIOFXRZKK-IMSYWVGJSA-N 1 0 201.335 1.647 10 0 BDAERO C[C@@H]1COC[C@H](C)N1C[C@H](O)CC(F)(F)F ZINC000189377264 388632157 /nfs/dbraw/zinc/63/21/57/388632157.db2.gz XTZAXUHYSXVNHH-HRDYMLBCSA-N 1 0 241.253 1.409 10 0 BDAERO COC[C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246392642 388634687 /nfs/dbraw/zinc/63/46/87/388634687.db2.gz DSTWQVHFXZSWHL-SDDRHHMPSA-N 1 0 242.363 1.258 10 0 BDAERO C[C@@H]1CN(Cc2ncccc2Cl)C[C@@H]1[NH3+] ZINC000530227042 388635900 /nfs/dbraw/zinc/63/59/00/388635900.db2.gz QXUBZQNRHFDRFM-SCZZXKLOSA-N 1 0 225.723 1.514 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000249937044 388735458 /nfs/dbraw/zinc/73/54/58/388735458.db2.gz SIHVTQLSQQCBLT-VXGBXAGGSA-N 1 0 238.335 1.198 10 0 BDAERO CCn1nccc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000126695207 388699081 /nfs/dbraw/zinc/69/90/81/388699081.db2.gz PPUOAOXKDVIOQM-QWHCGFSZSA-N 1 0 248.374 1.572 10 0 BDAERO CCC[C@@H](C(=O)NCc1cscn1)[NH+](C)C ZINC000127165044 388716824 /nfs/dbraw/zinc/71/68/24/388716824.db2.gz NRCICGMOTWVALP-JTQLQIEISA-N 1 0 241.360 1.490 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)C ZINC000127555082 388727699 /nfs/dbraw/zinc/72/76/99/388727699.db2.gz HACMGQCVYLMBQP-NSHDSACASA-N 1 0 228.336 1.948 10 0 BDAERO CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000128819320 388795899 /nfs/dbraw/zinc/79/58/99/388795899.db2.gz WQUYHWZNSRTBJM-NSHDSACASA-N 1 0 227.352 1.522 10 0 BDAERO CC(C)OC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000253168903 388806707 /nfs/dbraw/zinc/80/67/07/388806707.db2.gz BDWSWVHPBVPEIJ-MNOVXSKESA-N 1 0 226.320 1.700 10 0 BDAERO CCOc1cccc(C[NH2+]CC2CC(O)C2)c1 ZINC000091415521 388763031 /nfs/dbraw/zinc/76/30/31/388763031.db2.gz YFRGOJQXGHDSIV-UHFFFAOYSA-N 1 0 235.327 1.946 10 0 BDAERO CO[C@H](C)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227982747 388764525 /nfs/dbraw/zinc/76/45/25/388764525.db2.gz WFLCWXHQDHPISB-TUAOUCFPSA-N 1 0 212.337 1.190 10 0 BDAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc2c(c1)OCO2 ZINC000091525613 388765225 /nfs/dbraw/zinc/76/52/25/388765225.db2.gz BUTNYXQXJSYNMB-GRZMOONWSA-N 1 0 249.310 1.837 10 0 BDAERO C[C@H](CC[NH3+])Nc1nc(C(F)(F)F)ns1 ZINC000228811997 388775033 /nfs/dbraw/zinc/77/50/33/388775033.db2.gz IJNXWEYZXQIYCC-SCSAIBSYSA-N 1 0 240.254 1.706 10 0 BDAERO CC(=O)CC1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000253381250 388817350 /nfs/dbraw/zinc/81/73/50/388817350.db2.gz DDRVPWBMTDQBFV-UHFFFAOYSA-N 1 0 213.321 1.637 10 0 BDAERO CO[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000230254633 388822866 /nfs/dbraw/zinc/82/28/66/388822866.db2.gz RHHSJHFFYIEVJM-GRYCIOLGSA-N 1 0 240.347 1.012 10 0 BDAERO [NH3+]C1(Cc2cncs2)CCSCC1 ZINC000575462605 388826592 /nfs/dbraw/zinc/82/65/92/388826592.db2.gz ZVUVABXVQIPWER-UHFFFAOYSA-N 1 0 214.359 1.910 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(C)o2)C1 ZINC000284546698 388829259 /nfs/dbraw/zinc/82/92/59/388829259.db2.gz LEHNNGXIHCCEJS-CMPLNLGQSA-N 1 0 225.288 1.170 10 0 BDAERO c1cncc(CCN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000093952641 388856756 /nfs/dbraw/zinc/85/67/56/388856756.db2.gz DWPVAKWUNNEIMB-OAHLLOKOSA-N 1 0 245.370 1.794 10 0 BDAERO CC1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000232845762 388860116 /nfs/dbraw/zinc/86/01/16/388860116.db2.gz VRMPCYXCABSNBO-JTQLQIEISA-N 1 0 210.321 1.292 10 0 BDAERO CC[C@@H]1COC[C@]12[NH2+]CC[C@@H](C)S2 ZINC000575479679 388862017 /nfs/dbraw/zinc/86/20/17/388862017.db2.gz FADRZDHCLIVEHJ-OPRDCNLKSA-N 1 0 201.335 1.854 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@]1(C)CO ZINC000555823507 388862186 /nfs/dbraw/zinc/86/21/86/388862186.db2.gz PYKVPCVSNUOHCE-QWHCGFSZSA-N 1 0 245.363 1.011 10 0 BDAERO C[C@H]1CC[NH2+]C[C@@H]1C(=O)NCc1ccccc1 ZINC000575488946 388881964 /nfs/dbraw/zinc/88/19/64/388881964.db2.gz UESLLHJCQDOHMG-AAEUAGOBSA-N 1 0 232.327 1.548 10 0 BDAERO C[C@@H](F)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000564859962 388895627 /nfs/dbraw/zinc/89/56/27/388895627.db2.gz LATCRSIYUYEHHP-MNOVXSKESA-N 1 0 245.294 1.495 10 0 BDAERO C[C@@H]1C[NH2+]CCN1CC1SCCS1 ZINC000575486734 388875482 /nfs/dbraw/zinc/87/54/82/388875482.db2.gz GVARDANTQBJEPO-MRVPVSSYSA-N 1 0 218.391 1.086 10 0 BDAERO Cc1ncc([C@]2(F)CCC[NH2+]C2)s1 ZINC000575490476 388911747 /nfs/dbraw/zinc/91/17/47/388911747.db2.gz FXABCNGRLUERQU-VIFPVBQESA-N 1 0 200.282 2.000 10 0 BDAERO CCN1CCC[C@H]([NH2+]C[C@@H](C)COC)C1 ZINC000153362456 388966907 /nfs/dbraw/zinc/96/69/07/388966907.db2.gz MQVGOUVMEXLWSO-NEPJUHHUSA-N 1 0 214.353 1.343 10 0 BDAERO CC(C)[S@@](=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000575493092 388944236 /nfs/dbraw/zinc/94/42/36/388944236.db2.gz MRXAIKKHGLLOGS-KYFFJNGRSA-N 1 0 201.335 1.427 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000566099247 388987054 /nfs/dbraw/zinc/98/70/54/388987054.db2.gz FABSYDYQURMEBP-RSJDFQLWSA-N 1 0 224.348 1.761 10 0 BDAERO Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCn1cncn1 ZINC000268804645 389004595 /nfs/dbraw/zinc/00/45/95/389004595.db2.gz GZGBIHXGIINAAD-ZDUSSCGKSA-N 1 0 246.289 1.694 10 0 BDAERO CC[C@@H]1CS[C@]2(CC[NH2+][C@H](C)C2)N1 ZINC000575511528 389007865 /nfs/dbraw/zinc/00/78/65/389007865.db2.gz FQUFPUKVWBSGLK-BBBLOLIVSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@H](CC[NH3+])N1CC(=O)Nc2ccccc21 ZINC000041042528 132349285 /nfs/dbraw/zinc/34/92/85/132349285.db2.gz YUQTWUQRCSKYDP-SECBINFHSA-N 1 0 219.288 1.182 10 0 BDAERO [NH3+][C@H]1CCCN(c2nccc(Cl)n2)C1 ZINC000043220428 132352822 /nfs/dbraw/zinc/35/28/22/132352822.db2.gz VCFMMLFXVNKUQY-ZETCQYMHSA-N 1 0 212.684 1.058 10 0 BDAERO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc(F)cn1 ZINC000053704755 132363332 /nfs/dbraw/zinc/36/33/32/132363332.db2.gz VDNCKOBMAQYDDQ-UWVGGRQHSA-N 1 0 223.295 1.784 10 0 BDAERO C[C@H]1CN(c2ncccc2Cl)C[C@H](C)[NH2+]1 ZINC000053711484 132363360 /nfs/dbraw/zinc/36/33/60/132363360.db2.gz JNDSEHKYIAOJCW-IUCAKERBSA-N 1 0 225.723 1.922 10 0 BDAERO C[C@H]([NH3+])Cc1cnc(N2CCCCC2)nc1 ZINC000054857939 132364989 /nfs/dbraw/zinc/36/49/89/132364989.db2.gz SYVONFHJXYLRAB-JTQLQIEISA-N 1 0 220.320 1.357 10 0 BDAERO CN1C[C@@H]([NH3+])Cc2cc(Br)ccc21 ZINC000096988462 132242452 /nfs/dbraw/zinc/24/24/52/132242452.db2.gz NAYUAYKIKMHGIU-VIFPVBQESA-N 1 0 241.132 1.769 10 0 BDAERO c1[nH]c2cccc3c2c1C[C@@H]1C[NH2+]CCN31 ZINC000118359241 132294884 /nfs/dbraw/zinc/29/48/84/132294884.db2.gz FSAALEHYCCSDSA-SNVBAGLBSA-N 1 0 213.284 1.502 10 0 BDAERO COC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037196347 132295391 /nfs/dbraw/zinc/29/53/91/132295391.db2.gz LSLRMXIQWAGTRC-CMPLNLGQSA-N 1 0 248.326 1.719 10 0 BDAERO [NH3+]CC1CCN(c2ccc(Cl)nn2)CC1 ZINC000044514714 132298334 /nfs/dbraw/zinc/29/83/34/132298334.db2.gz NPBQGXDFRIGMMT-UHFFFAOYSA-N 1 0 226.711 1.305 10 0 BDAERO [NH3+]C1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000045948098 132298814 /nfs/dbraw/zinc/29/88/14/132298814.db2.gz HXMWVNUUIWPTJZ-UHFFFAOYSA-N 1 0 247.346 1.004 10 0 BDAERO CC(C)CCNc1ccnc(N2CC[NH2+]CC2)n1 ZINC000057330456 132300959 /nfs/dbraw/zinc/30/09/59/132300959.db2.gz SXZWSDLWTYYZQX-UHFFFAOYSA-N 1 0 249.362 1.344 10 0 BDAERO CCc1nc(N2CCCCC2)[nH+]c(NN)c1C ZINC000057331567 132301183 /nfs/dbraw/zinc/30/11/83/132301183.db2.gz SDKDSQYOWGZAIG-UHFFFAOYSA-N 1 0 235.335 1.623 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncccn1 ZINC000301285016 132308392 /nfs/dbraw/zinc/30/83/92/132308392.db2.gz NZEOVRMGWLGDOZ-WDEREUQCSA-N 1 0 218.304 1.150 10 0 BDAERO Cc1ccc2c(c1)O[C@H](C1=[NH+]CCN1)CN2C ZINC000003917464 132315902 /nfs/dbraw/zinc/31/59/02/132315902.db2.gz NMIOWUYTWNFIQG-LBPRGKRZSA-N 1 0 231.299 1.194 10 0 BDAERO C[C@H]1Oc2ccccc2N(CCC[NH3+])C1=O ZINC000011568787 132319746 /nfs/dbraw/zinc/31/97/46/132319746.db2.gz SYLUTXGCFUSPON-SECBINFHSA-N 1 0 220.272 1.149 10 0 BDAERO C[C@@H](C[NH3+])N1CCN(c2ccccc2F)CC1 ZINC000019779172 132327220 /nfs/dbraw/zinc/32/72/20/132327220.db2.gz OWLGCAZZWKUNCS-NSHDSACASA-N 1 0 237.322 1.295 10 0 BDAERO O=C1Nc2c(Cl)cccc2N2CC[NH2+]C[C@H]12 ZINC000026153696 132333732 /nfs/dbraw/zinc/33/37/32/132333732.db2.gz WZZWZWUWJPVHJR-SECBINFHSA-N 1 0 237.690 1.070 10 0 BDAERO Cc1cc(N2CCCCC2)n[nH+]c1NN ZINC000033638930 132336017 /nfs/dbraw/zinc/33/60/17/132336017.db2.gz NIPMIDGUMALDHC-UHFFFAOYSA-N 1 0 207.281 1.061 10 0 BDAERO c1ccc(N2CCN(CC[NH2+]C3CC3)CC2)cc1 ZINC000037608823 132344957 /nfs/dbraw/zinc/34/49/57/132344957.db2.gz ZHWYDMKKDSWVDK-UHFFFAOYSA-N 1 0 245.370 1.561 10 0 BDAERO c1cnc(N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000037918328 132345894 /nfs/dbraw/zinc/34/58/94/132345894.db2.gz HAEHVLPYSIXVEB-RYUDHWBXSA-N 1 0 232.331 1.445 10 0 BDAERO CC[N@H+](C)[C@H]1Cc2ccccc2N(C)C1 ZINC000039105301 132346394 /nfs/dbraw/zinc/34/63/94/132346394.db2.gz DQTACQIFFZHMQB-LBPRGKRZSA-N 1 0 204.317 1.999 10 0 BDAERO [NH3+]CC(=O)N1CCSc2ccccc21 ZINC000040418741 132347319 /nfs/dbraw/zinc/34/73/19/132347319.db2.gz VYCNNNUIJWLTDX-UHFFFAOYSA-N 1 0 208.286 1.084 10 0 BDAERO COc1ccc(OC)c(N2CC[NH2+]C[C@H]2C)c1 ZINC000041271013 132349911 /nfs/dbraw/zinc/34/99/11/132349911.db2.gz UORBRAZSLKSXJF-SNVBAGLBSA-N 1 0 236.315 1.502 10 0 BDAERO CN(C)c1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC000043470490 132353034 /nfs/dbraw/zinc/35/30/34/132353034.db2.gz IZSBJFMYVNGOMR-LLVKDONJSA-N 1 0 219.332 1.680 10 0 BDAERO [NH3+][C@H]1CCCN(c2cc(F)cc(F)c2)C1 ZINC000043470498 132353087 /nfs/dbraw/zinc/35/30/87/132353087.db2.gz ZZOJPVBXMIQUEZ-JTQLQIEISA-N 1 0 212.243 1.892 10 0 BDAERO Cc1ccc(C(N)=[NH2+])c(N2CCCCC2)n1 ZINC000043400999 132353136 /nfs/dbraw/zinc/35/31/36/132353136.db2.gz WDWQSXISSLHURB-UHFFFAOYSA-N 1 0 218.304 1.664 10 0 BDAERO Clc1cc(Cl)nc(N2CC[NH2+]CC2)n1 ZINC000044116766 132353753 /nfs/dbraw/zinc/35/37/53/132353753.db2.gz BNMHSJKRWZNYTF-UHFFFAOYSA-N 1 0 233.102 1.193 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1nncc2ccccc21 ZINC000044559672 132354276 /nfs/dbraw/zinc/35/42/76/132354276.db2.gz MCJPELFLIRQVQQ-LBPRGKRZSA-N 1 0 242.326 1.947 10 0 BDAERO Cc1ccc(N2CCCC[C@@H]2C[NH3+])nc1 ZINC000044559479 132354448 /nfs/dbraw/zinc/35/44/48/132354448.db2.gz JTGAGOWGRSWENF-LLVKDONJSA-N 1 0 205.305 1.708 10 0 BDAERO COC1CCN(c2ccnc(C[NH3+])c2)CC1 ZINC000051396788 132360463 /nfs/dbraw/zinc/36/04/63/132360463.db2.gz MEJSEXMOVIEGGY-UHFFFAOYSA-N 1 0 221.304 1.156 10 0 BDAERO CC[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000051399187 132360756 /nfs/dbraw/zinc/36/07/56/132360756.db2.gz FYDKZBJZPYRCIA-UHFFFAOYSA-N 1 0 221.304 1.028 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCO[C@H](C)C2)c1 ZINC000051400140 132360936 /nfs/dbraw/zinc/36/09/36/132360936.db2.gz NQQMEKNFCUTCFC-SNVBAGLBSA-N 1 0 221.304 1.026 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCOC[C@@H]2C)c1 ZINC000051444002 132360979 /nfs/dbraw/zinc/36/09/79/132360979.db2.gz HEKZGMKLXXTVQS-JTQLQIEISA-N 1 0 221.304 1.026 10 0 BDAERO c1cc(C[NH2+]C2CC2)nc(N2CCSCC2)c1 ZINC000051437880 132361015 /nfs/dbraw/zinc/36/10/15/132361015.db2.gz OLSWPEWIBIMYJY-UHFFFAOYSA-N 1 0 249.383 1.887 10 0 BDAERO C[NH2+]Cc1cccc(N2CCCCC2)n1 ZINC000051435984 132361059 /nfs/dbraw/zinc/36/10/59/132361059.db2.gz LVFHOWUBGXHROC-UHFFFAOYSA-N 1 0 205.305 1.791 10 0 BDAERO Cc1ccc(C(N)=[NH2+])c(N2CCOC[C@@H]2C)c1 ZINC000051579224 132361649 /nfs/dbraw/zinc/36/16/49/132361649.db2.gz IGQUNBRBLNTGIX-JTQLQIEISA-N 1 0 233.315 1.504 10 0 BDAERO Clc1ccc(N2C[C@H]3C[C@@H](C2)[NH2+]3)cn1 ZINC000052551998 132362275 /nfs/dbraw/zinc/36/22/75/132362275.db2.gz FEXJEKNXTSHUSJ-OCAPTIKFSA-N 1 0 209.680 1.286 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C)nn1 ZINC000053706834 132363305 /nfs/dbraw/zinc/36/33/05/132363305.db2.gz OSCVJRCSYNYOHL-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1cccc(C)n1 ZINC000053706772 132363365 /nfs/dbraw/zinc/36/33/65/132363365.db2.gz GBKHNGBKIUQVLX-LBPRGKRZSA-N 1 0 219.332 1.968 10 0 BDAERO Cc1ccc(N2C[C@@H](C[NH3+])CC[C@@H]2C)nn1 ZINC000053704743 132363366 /nfs/dbraw/zinc/36/33/66/132363366.db2.gz WLONUFACSRUOQW-WDEREUQCSA-N 1 0 220.320 1.349 10 0 BDAERO Cc1cccnc1N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000053712665 132363618 /nfs/dbraw/zinc/36/36/18/132363618.db2.gz XGLKWCHEAGRBSJ-QWRGUYRKSA-N 1 0 205.305 1.577 10 0 BDAERO C[C@@H]1CCCN(c2ccnc(C(N)=[NH2+])c2)[C@@H]1C ZINC000061814356 132387182 /nfs/dbraw/zinc/38/71/82/132387182.db2.gz PXMVXXYZGBQGJJ-NXEZZACHSA-N 1 0 232.331 1.990 10 0 BDAERO COc1ccnc(N2CCCC[C@H]2[C@H](C)[NH3+])n1 ZINC000063196590 132389500 /nfs/dbraw/zinc/38/95/00/132389500.db2.gz DRZDUESXKQXRSU-UWVGGRQHSA-N 1 0 236.319 1.191 10 0 BDAERO COc1cccc(N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000071522600 132393114 /nfs/dbraw/zinc/39/31/14/132393114.db2.gz FVVUQJITYMGKON-QWRGUYRKSA-N 1 0 220.316 1.882 10 0 BDAERO C[C@@H]1CN(c2ccc(N(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000071537771 132393784 /nfs/dbraw/zinc/39/37/84/132393784.db2.gz JYACNAKXUKLVEY-VXGBXAGGSA-N 1 0 233.359 1.939 10 0 BDAERO COCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023417 133544925 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134257825 /nfs/dbraw/zinc/25/78/25/134257825.db2.gz QKFSOAXSXONCHL-GXSJLCMTSA-N 1 0 236.319 1.219 10 0 BDAERO Cc1ccc(C)c(C(=O)NC2C[NH2+]C2)c1 ZINC000085255690 134262026 /nfs/dbraw/zinc/26/20/26/134262026.db2.gz AGNNLIVARXQCNI-UHFFFAOYSA-N 1 0 204.273 1.005 10 0 BDAERO CN1C(=O)C[C@@H]([N@@H+]2CCC3(CCCC3)C2)C1=O ZINC000172950940 134271173 /nfs/dbraw/zinc/27/11/73/134271173.db2.gz VPAWSFVQZGBARD-SNVBAGLBSA-N 1 0 236.315 1.010 10 0 BDAERO O[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000175710930 134286612 /nfs/dbraw/zinc/28/66/12/134286612.db2.gz FNUNRSVWZHZPQY-KGLIPLIRSA-N 1 0 228.295 1.763 10 0 BDAERO CC(C)=CC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177229886 134296324 /nfs/dbraw/zinc/29/63/24/134296324.db2.gz SYKQAAGFVXHERF-KBPBESRZSA-N 1 0 238.375 1.605 10 0 BDAERO O[C@]12CCCC[C@@H]1C[N@H+](C[C@@H]1CCOC1)CC2 ZINC000220382665 134306023 /nfs/dbraw/zinc/30/60/23/134306023.db2.gz HAJAEHDJQMUFBD-MJBXVCDLSA-N 1 0 239.359 1.650 10 0 BDAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(C)(C)O ZINC000178324461 134308398 /nfs/dbraw/zinc/30/83/98/134308398.db2.gz KVMOWVIZIRVKBX-GFCCVEGCSA-N 1 0 237.347 1.427 10 0 BDAERO Cc1cnc([C@H](C)NC2CC[NH+](C)CC2)o1 ZINC000220948749 134314859 /nfs/dbraw/zinc/31/48/59/134314859.db2.gz TZWWFDLHGQJKLJ-JTQLQIEISA-N 1 0 223.320 1.728 10 0 BDAERO C1=C(CN2CCC[N@@H+](C3CC3)CC2)COCC1 ZINC000179732700 134320873 /nfs/dbraw/zinc/32/08/73/134320873.db2.gz KXUQXAQORWRJPD-UHFFFAOYSA-N 1 0 236.359 1.503 10 0 BDAERO CO[C@H](C)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000182148880 134342263 /nfs/dbraw/zinc/34/22/63/134342263.db2.gz PQICXJGHYUKAHX-OLZOCXBDSA-N 1 0 237.347 1.863 10 0 BDAERO C[C@H](O)CCC[N@@H+]1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000226094429 134358367 /nfs/dbraw/zinc/35/83/67/134358367.db2.gz XRCIQKINIDFXJV-WOPDTQHZSA-N 1 0 214.353 1.029 10 0 BDAERO CCc1nnc(CN2CCC[N@@H+](C3CC3)CC2)[nH]1 ZINC000184576522 134363462 /nfs/dbraw/zinc/36/34/62/134363462.db2.gz DEABDRMTXZXJRP-UHFFFAOYSA-N 1 0 249.362 1.037 10 0 BDAERO CO[C@H](C[NH3+])C(=O)Nc1cnc2ccccc2c1 ZINC000227355078 134378752 /nfs/dbraw/zinc/37/87/52/134378752.db2.gz KCEYPFLAKNSDBG-GFCCVEGCSA-N 1 0 245.282 1.147 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)C(C)(C)C ZINC000227474921 134384367 /nfs/dbraw/zinc/38/43/67/134384367.db2.gz DWLRLKUFZLXQQH-JHJVBQTASA-N 1 0 240.391 1.562 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCCSCC1 ZINC000227905904 134398773 /nfs/dbraw/zinc/39/87/73/134398773.db2.gz UZJKIDRMGSNBQK-LBPRGKRZSA-N 1 0 247.404 1.603 10 0 BDAERO C[C@@H]1CC[C@H](C[NH2+]CC2CCOCC2)O1 ZINC000148711445 134448212 /nfs/dbraw/zinc/44/82/12/134448212.db2.gz HGHQJSMMZWXNNU-ZYHUDNBSSA-N 1 0 213.321 1.570 10 0 BDAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2C)CCO1 ZINC000134535556 134714105 /nfs/dbraw/zinc/71/41/05/134714105.db2.gz GBCUXOBXLUEVMA-NDBYEHHHSA-N 1 0 227.348 1.957 10 0 BDAERO C[C@H](C[NH3+])C(=O)Nc1cccc(-c2cnco2)c1 ZINC000054340316 134761549 /nfs/dbraw/zinc/76/15/49/134761549.db2.gz FVBDAXKEVTYMOS-SECBINFHSA-N 1 0 245.282 1.875 10 0 BDAERO CC(C)[NH+](CCNCc1cncnc1)C(C)C ZINC000054766857 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C[C@@H]1COC[C@@H](C)N1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261873072 135259379 /nfs/dbraw/zinc/25/93/79/135259379.db2.gz YCBDRBWPTNTNHF-WISYIIOYSA-N 1 0 240.347 1.140 10 0 BDAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1C[C@H]1C1CC1 ZINC000262031434 135274112 /nfs/dbraw/zinc/27/41/12/135274112.db2.gz SJUVLCFJZGCAPB-LSKIRQOJSA-N 1 0 222.332 1.228 10 0 BDAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccccc1Cl ZINC000262188893 135284998 /nfs/dbraw/zinc/28/49/98/135284998.db2.gz YBVVTEVNSVYZKM-PWSUYJOCSA-N 1 0 240.734 1.010 10 0 BDAERO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C1C[NH2+]C1 ZINC000262218450 135285411 /nfs/dbraw/zinc/28/54/11/135285411.db2.gz JYTLLTVLZOKPFL-BXUZGUMPSA-N 1 0 244.338 1.610 10 0 BDAERO NC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000262277984 135289529 /nfs/dbraw/zinc/28/95/29/135289529.db2.gz VBLRGSRJMKLWLD-XRGYYRRGSA-N 1 0 211.215 1.304 10 0 BDAERO CCCC1(CNC(=O)[C@H](C)C2C[NH2+]C2)CCC1 ZINC000262303560 135292274 /nfs/dbraw/zinc/29/22/74/135292274.db2.gz BWWKPIILVIXONV-LLVKDONJSA-N 1 0 238.375 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249.358 1.893 10 0 BDAERO C[C@]1(CO)CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000334370576 135375356 /nfs/dbraw/zinc/37/53/56/135375356.db2.gz WFFPKJZVGSAXID-QWHCGFSZSA-N 1 0 227.348 1.792 10 0 BDAERO C[C@@H]1C[NH+](CCC(C)(C)O)C[C@@H](C)O1 ZINC000081643040 135388435 /nfs/dbraw/zinc/38/84/35/135388435.db2.gz OXGKEWKXRFNEFD-NXEZZACHSA-N 1 0 201.310 1.257 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]C1CCOCC1 ZINC000077204661 135391487 /nfs/dbraw/zinc/39/14/87/135391487.db2.gz CCKBNROMTXJANY-JQWIXIFHSA-N 1 0 213.321 1.306 10 0 BDAERO Cc1nn(C)c(C)c1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000335035761 135407524 /nfs/dbraw/zinc/40/75/24/135407524.db2.gz YSIZEWIIUXQQRK-KWQFWETISA-N 1 0 222.336 1.447 10 0 BDAERO Cc1cnccc1CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000335592621 135417742 /nfs/dbraw/zinc/41/77/42/135417742.db2.gz QDIDBQRYUPFHDI-BXUZGUMPSA-N 1 0 234.343 1.635 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])nc1 ZINC000082920340 135442005 /nfs/dbraw/zinc/44/20/05/135442005.db2.gz YYLDESDXZPWPRX-UWVGGRQHSA-N 1 0 219.288 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C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000382346588 397936286 /nfs/dbraw/zinc/93/62/86/397936286.db2.gz FIWNWVAJHVEDQW-FPYNETTCSA-N 1 0 227.348 1.836 10 0 BDAERO C[C@@H]1CSC[C@]1([NH3+])c1cscn1 ZINC000575463862 397946601 /nfs/dbraw/zinc/94/66/01/397946601.db2.gz GNGMSKXXKDEZIT-HTRCEHHLSA-N 1 0 200.332 1.680 10 0 BDAERO CN(C)c1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000111366298 397905736 /nfs/dbraw/zinc/90/57/36/397905736.db2.gz MSNPAUBGXDDQST-ZDUSSCGKSA-N 1 0 247.342 1.316 10 0 BDAERO Cn1c(N)[nH+]c2cccc(Br)c21 ZINC000149788883 397912097 /nfs/dbraw/zinc/91/20/97/397912097.db2.gz FQBUUUIKMZYPJZ-UHFFFAOYSA-N 1 0 226.077 1.918 10 0 BDAERO CCc1nocc1C[NH2+]CC[C@@H]1CCCO1 ZINC000382158488 397916014 /nfs/dbraw/zinc/91/60/14/397916014.db2.gz RZQMBLZAZSUPDC-NSHDSACASA-N 1 0 224.304 1.896 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@@H](OC)C2CC2)C1 ZINC000382169606 397916573 /nfs/dbraw/zinc/91/65/73/397916573.db2.gz VZUAYYYAXUOGEL-VXGBXAGGSA-N 1 0 212.337 1.095 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cn[nH]n2)CC1 ZINC000616686320 397926950 /nfs/dbraw/zinc/92/69/50/397926950.db2.gz IJNCTNKOAXVUKE-JTQLQIEISA-N 1 0 224.308 1.367 10 0 BDAERO O=C1CC[C@@H](C[NH2+]C2(C3CCC3)CCC2)N1 ZINC000649627816 398009097 /nfs/dbraw/zinc/00/90/97/398009097.db2.gz WNCYBXLRHPMXNO-NSHDSACASA-N 1 0 222.332 1.577 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000389044827 398010363 /nfs/dbraw/zinc/01/03/63/398010363.db2.gz RIOXVJCMPUUSLH-GRYCIOLGSA-N 1 0 242.363 1.291 10 0 BDAERO [NH3+]CC1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCCC1 ZINC000251271975 398046638 /nfs/dbraw/zinc/04/66/38/398046638.db2.gz LZLBKGNJNNYMOU-ZSBIGDGJSA-N 1 0 236.359 1.810 10 0 BDAERO NC[C@@H](C1CC1)[N@@H+]1CCCSCC1 ZINC000042443456 398015647 /nfs/dbraw/zinc/01/56/47/398015647.db2.gz ZGWFJEXKUHDAMV-JTQLQIEISA-N 1 0 200.351 1.163 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000054074864 398023378 /nfs/dbraw/zinc/02/33/78/398023378.db2.gz MYAOQAADZOKGPO-ZJUUUORDSA-N 1 0 238.306 1.953 10 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CC(C)Oc1ccc([C@@](C)([NH3+])C(N)=O)cc1 ZINC000037460050 167301153 /nfs/dbraw/zinc/30/11/53/167301153.db2.gz UVMLBGUOUBEZRE-GFCCVEGCSA-N 1 0 222.288 1.133 10 0 BDAERO C[C@@H](NC(=O)c1ccc(C[NH3+])o1)C1CC1 ZINC000087046081 487600465 /nfs/dbraw/zinc/60/04/65/487600465.db2.gz SDIVRXFZTMFVSJ-SSDOTTSWSA-N 1 0 208.261 1.267 10 0 BDAERO CC(C)S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000037657692 167319597 /nfs/dbraw/zinc/31/95/97/167319597.db2.gz VERBJABGSNCBSZ-UHFFFAOYSA-N 1 0 248.392 1.366 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CC[C@@H]1O ZINC000309769710 487609150 /nfs/dbraw/zinc/60/91/50/487609150.db2.gz OINDMWPHHYGJQS-NDBYEHHHSA-N 1 0 227.348 1.240 10 0 BDAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000309761526 487609278 /nfs/dbraw/zinc/60/92/78/487609278.db2.gz MRCVXUOLSQCCPI-LOWDOPEQSA-N 1 0 227.348 1.240 10 0 BDAERO COC(C)(C)C[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000309772727 487610243 /nfs/dbraw/zinc/61/02/43/487610243.db2.gz OYXXDKVNVGNARD-VXGBXAGGSA-N 1 0 229.364 1.894 10 0 BDAERO C[C@H]1OCC[C@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662512541 409740933 /nfs/dbraw/zinc/74/09/33/409740933.db2.gz SAZXVAYGMIAOEY-NOZJJQNGSA-N 1 0 246.310 1.197 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000662706494 409858724 /nfs/dbraw/zinc/85/87/24/409858724.db2.gz WKLFDJYFJGEECX-GARJFASQSA-N 1 0 210.321 1.228 10 0 BDAERO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000049842516 409928172 /nfs/dbraw/zinc/92/81/72/409928172.db2.gz UNEJPBKVGUETPR-GHMZBOCLSA-N 1 0 224.348 1.681 10 0 BDAERO COc1cc(NC(=O)[C@]2(C)CCCC[NH2+]2)ccn1 ZINC000311022765 487612620 /nfs/dbraw/zinc/61/26/20/487612620.db2.gz VELOUZSTNMVBOX-ZDUSSCGKSA-N 1 0 249.314 1.561 10 0 BDAERO CC[C@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)CCS1 ZINC000132988292 410076161 /nfs/dbraw/zinc/07/61/61/410076161.db2.gz TXRXUBNUECNINH-QWRGUYRKSA-N 1 0 244.404 1.714 10 0 BDAERO CCCc1nccnc1NCC[NH2+]C1CC1 ZINC000663271007 410091066 /nfs/dbraw/zinc/09/10/66/410091066.db2.gz VGYWBKDHGPCNNE-UHFFFAOYSA-N 1 0 220.320 1.593 10 0 BDAERO CCCc1nccnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000663274945 410092479 /nfs/dbraw/zinc/09/24/79/410092479.db2.gz SCEDAZIIIZRIHS-UWVGGRQHSA-N 1 0 220.320 1.213 10 0 BDAERO C=CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000236169400 410101002 /nfs/dbraw/zinc/10/10/02/410101002.db2.gz QHBYOQITZKIWPR-UHFFFAOYSA-N 1 0 204.273 1.160 10 0 BDAERO Brc1ccnn1[C@@H]1CC[NH2+]C1 ZINC000082370063 166102467 /nfs/dbraw/zinc/10/24/67/166102467.db2.gz CMFGFPGIZALQIZ-ZCFIWIBFSA-N 1 0 216.082 1.180 10 0 BDAERO Cc1ccc2[nH]c([C@@H]3CC[NH2+]C3)nc2c1 ZINC000062119363 410179069 /nfs/dbraw/zinc/17/90/69/410179069.db2.gz WJXKQTAQBUTNOA-SECBINFHSA-N 1 0 201.273 1.948 10 0 BDAERO CC[C@H](C)[C@@H](C[NH2+]CCn1cc(C)cn1)OC ZINC000394453492 410329086 /nfs/dbraw/zinc/32/90/86/410329086.db2.gz QEYUMTJIQQKUAI-QWHCGFSZSA-N 1 0 239.363 1.842 10 0 BDAERO COCC[NH2+]C[C@H](O)CO[C@H]1CCCC[C@H]1C ZINC000248000930 410300231 /nfs/dbraw/zinc/30/02/31/410300231.db2.gz DGQXSWOOUKILCE-AGIUHOORSA-N 1 0 245.363 1.179 10 0 BDAERO CO[C@](C)(C[NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000393241861 410316072 /nfs/dbraw/zinc/31/60/72/410316072.db2.gz OXZNBHZXFGPTKH-FPMFFAJLSA-N 1 0 241.375 1.942 10 0 BDAERO c1ccc(-c2ncncc2N2CC[NH2+]CC2)cc1 ZINC000142040458 410520148 /nfs/dbraw/zinc/52/01/48/410520148.db2.gz OSYBHWBWIUFZBU-UHFFFAOYSA-N 1 0 240.310 1.553 10 0 BDAERO CC(=O)c1cc(C)n(CC[NH+](C)C)c1C ZINC000009246062 166443098 /nfs/dbraw/zinc/44/30/98/166443098.db2.gz XCHWEKJANASBJE-UHFFFAOYSA-N 1 0 208.305 1.869 10 0 BDAERO CC(C)(C)NC(=O)[C@H](CCC[NH3+])c1ccccn1 ZINC000076635840 166626365 /nfs/dbraw/zinc/62/63/65/166626365.db2.gz NGHAXOMHJIIMCI-LLVKDONJSA-N 1 0 249.358 1.819 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]2C[C@@H]([NH3+])C[C@@H]21 ZINC000076675021 166654571 /nfs/dbraw/zinc/65/45/71/166654571.db2.gz SIDLVNZIPCOTFU-AEJSXWLSSA-N 1 0 226.320 1.733 10 0 BDAERO C[C@@H]1CCC[N@H+](C[C@@H]2CCCN2C)[C@H]1CCO ZINC000661490584 410703746 /nfs/dbraw/zinc/70/37/46/410703746.db2.gz FDJVROCXUMZOEP-RDBSUJKOSA-N 1 0 240.391 1.564 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@H]1[NH2+]C[C@H]2C[C@H]21 ZINC000096300523 166662736 /nfs/dbraw/zinc/66/27/36/166662736.db2.gz UEHVMSBUAJMNRH-HLTSFMKQSA-N 1 0 212.293 1.119 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC1=CCCOC1 ZINC000124720889 166699566 /nfs/dbraw/zinc/69/95/66/166699566.db2.gz KYWVOJIUVBLZJB-NSHDSACASA-N 1 0 213.321 1.330 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C)C[C@@H](C)C1=O ZINC000661540303 410738778 /nfs/dbraw/zinc/73/87/78/410738778.db2.gz ZGACLHHTCGYOCC-UTUOFQBUSA-N 1 0 224.348 1.238 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@H]1CCCO1 ZINC000308790747 410745416 /nfs/dbraw/zinc/74/54/16/410745416.db2.gz IETWSZOTACSHDZ-GHMZBOCLSA-N 1 0 215.337 1.552 10 0 BDAERO NC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000393364413 410678425 /nfs/dbraw/zinc/67/84/25/410678425.db2.gz DXNIBIMXJGDIJI-MVWJERBFSA-N 1 0 237.347 1.308 10 0 BDAERO CC[NH2+]CC1CCN(c2ncccc2OC)CC1 ZINC000128474195 410762967 /nfs/dbraw/zinc/76/29/67/410762967.db2.gz BBBLWRPAJJPSGE-UHFFFAOYSA-N 1 0 249.358 1.916 10 0 BDAERO CC(C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000037481717 166845314 /nfs/dbraw/zinc/84/53/14/166845314.db2.gz KNVAWBHPDIGWTN-UHFFFAOYSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)CCO[C@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000236762345 166881814 /nfs/dbraw/zinc/88/18/14/166881814.db2.gz OQIIUMZSQNYAFK-LBPRGKRZSA-N 1 0 242.363 1.389 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000395245944 410843933 /nfs/dbraw/zinc/84/39/33/410843933.db2.gz MGMTWPZTXUWVIK-HOSYDEDBSA-N 1 0 224.348 1.631 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCOc2ccccc2C1 ZINC000040677861 410884692 /nfs/dbraw/zinc/88/46/92/410884692.db2.gz COTVUYYORIJMMT-GFCCVEGCSA-N 1 0 248.326 1.535 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC000040408638 167006720 /nfs/dbraw/zinc/00/67/20/167006720.db2.gz YBLNWACMDYYWAR-AWEZNQCLSA-N 1 0 218.344 1.947 10 0 BDAERO CC(C)C[NH2+]Cc1cnc(-c2ncccn2)nc1 ZINC000054856551 167010307 /nfs/dbraw/zinc/01/03/07/167010307.db2.gz NJPCAQPGYOKGLB-UHFFFAOYSA-N 1 0 243.314 1.679 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccon2)C1 ZINC000158881407 167027649 /nfs/dbraw/zinc/02/76/49/167027649.db2.gz OKOMWLQUWYDNDS-KOLCDFICSA-N 1 0 237.303 1.133 10 0 BDAERO CC(C)[NH2+]C1CCN(C(F)(F)F)CC1 ZINC000095088398 167095496 /nfs/dbraw/zinc/09/54/96/167095496.db2.gz BBCBHOKFJBPEGX-UHFFFAOYSA-N 1 0 210.243 1.969 10 0 BDAERO CC(C)NC(=O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000036852811 167061107 /nfs/dbraw/zinc/06/11/07/167061107.db2.gz RTZXGMSMEZCACY-LBPRGKRZSA-N 1 0 248.326 1.494 10 0 BDAERO CC(C)[NH2+]CC(=O)N1CC[C@H](C)C[C@@H]1C ZINC000051733155 167097710 /nfs/dbraw/zinc/09/77/10/167097710.db2.gz PFHHYJGILRCRDP-QWRGUYRKSA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)[NH2+]CC(=O)N[C@H]1CCc2ccccc21 ZINC000037609836 167098001 /nfs/dbraw/zinc/09/80/01/167098001.db2.gz DTKYNMGEZRVLDY-ZDUSSCGKSA-N 1 0 232.327 1.788 10 0 BDAERO CC(C)[NH2+]CC1CCN(c2cccnn2)CC1 ZINC000053664755 167099620 /nfs/dbraw/zinc/09/96/20/167099620.db2.gz UAUSGYJHGLJGQR-UHFFFAOYSA-N 1 0 234.347 1.691 10 0 BDAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccncc1 ZINC000037618312 167099809 /nfs/dbraw/zinc/09/98/09/167099809.db2.gz KTTUYRHOTFGFRA-NSHDSACASA-N 1 0 235.331 1.647 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1CCCC[C@H]1CCO ZINC000037618237 167100558 /nfs/dbraw/zinc/10/05/58/167100558.db2.gz FBSXUVZYQRSYCX-LBPRGKRZSA-N 1 0 242.363 1.138 10 0 BDAERO CC(C)[NH2+]CCCc1nc2cccnc2n1C ZINC000104304427 167102782 /nfs/dbraw/zinc/10/27/82/167102782.db2.gz JXWXRIJWIJKTPD-UHFFFAOYSA-N 1 0 232.331 1.899 10 0 BDAERO CC(C)[NH2+]CCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000309654970 167107092 /nfs/dbraw/zinc/10/70/92/167107092.db2.gz YVAGZOWYYAXKNI-YPMHNXCESA-N 1 0 226.364 1.484 10 0 BDAERO CC(C)[NH2+]CCn1cnc2ccsc2c1=O ZINC000042410351 167109118 /nfs/dbraw/zinc/10/91/18/167109118.db2.gz DHLSZMTVIRDBNB-UHFFFAOYSA-N 1 0 237.328 1.456 10 0 BDAERO CC(C)[NH2+]CCn1ccc(=O)c2ccccc21 ZINC000043373701 167109326 /nfs/dbraw/zinc/10/93/26/167109326.db2.gz HHQJPDXWDYFKEE-UHFFFAOYSA-N 1 0 230.311 2.000 10 0 BDAERO CC(C)[NH2+]CCc1nc2cc(O)ccc2[nH]1 ZINC000074325384 167109926 /nfs/dbraw/zinc/10/99/26/167109926.db2.gz LYJSHQMSYOBKAJ-UHFFFAOYSA-N 1 0 219.288 1.809 10 0 BDAERO CC(C)[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000019436188 167117839 /nfs/dbraw/zinc/11/78/39/167117839.db2.gz KLLGOOUXHKUZRS-UHFFFAOYSA-N 1 0 210.252 1.423 10 0 BDAERO CC(C)[NH2+]Cc1nnc(C2CCCC2)[nH]1 ZINC000041058796 167121643 /nfs/dbraw/zinc/12/16/43/167121643.db2.gz VMHSLVHIMGVOKP-UHFFFAOYSA-N 1 0 208.309 1.960 10 0 BDAERO CC(C)[NH2+]Cc1nc(-c2ccncc2)c[nH]1 ZINC000037477450 167122107 /nfs/dbraw/zinc/12/21/07/167122107.db2.gz TVDNCQPBQJQGGW-UHFFFAOYSA-N 1 0 216.288 1.970 10 0 BDAERO CC(C)[NH2+]Cc1nncn1C1CCCC1 ZINC000054526355 167124412 /nfs/dbraw/zinc/12/44/12/167124412.db2.gz FPWISPYMKWEXPB-UHFFFAOYSA-N 1 0 208.309 1.891 10 0 BDAERO CC(C)[NH2+][C@@H](CO)c1ccc2c(c1)OCO2 ZINC000038115821 167131783 /nfs/dbraw/zinc/13/17/83/167131783.db2.gz PLZPPEDMIQSLAZ-JTQLQIEISA-N 1 0 223.272 1.447 10 0 BDAERO CC(C)OC(=O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000062071200 167158943 /nfs/dbraw/zinc/15/89/43/167158943.db2.gz XZEWBNWJDNEOLT-LBPRGKRZSA-N 1 0 242.363 1.260 10 0 BDAERO CC(C)OC(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000044239854 167162490 /nfs/dbraw/zinc/16/24/90/167162490.db2.gz PNJSBOLNDJSEDN-VIFPVBQESA-N 1 0 200.282 1.215 10 0 BDAERO CC[NH+](CC)CCOc1ccc(OC)cc1N ZINC000022177109 169782968 /nfs/dbraw/zinc/78/29/68/169782968.db2.gz MMALNDQKLSXSAY-UHFFFAOYSA-N 1 0 238.331 1.998 10 0 BDAERO CC(C)OCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000161299394 167237003 /nfs/dbraw/zinc/23/70/03/167237003.db2.gz PBLZQRHLBJQNCU-RYUDHWBXSA-N 1 0 242.363 1.435 10 0 BDAERO CC(C)OCC[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339509642 167251257 /nfs/dbraw/zinc/25/12/57/167251257.db2.gz SWWSNMVSANLZBM-GFCCVEGCSA-N 1 0 229.364 1.941 10 0 BDAERO CC(C)Oc1ccc([C@@](C)(O)C[NH3+])cc1 ZINC000032012228 167300546 /nfs/dbraw/zinc/30/05/46/167300546.db2.gz QIDQMGFHBXGWQV-LBPRGKRZSA-N 1 0 209.289 1.640 10 0 BDAERO C[C@@]1(CNC(=O)C2CCC([NH3+])CC2)CCOC1 ZINC000397242374 410919247 /nfs/dbraw/zinc/91/92/47/410919247.db2.gz YQIOSXMRAJEONX-XIVSLSHWSA-N 1 0 240.347 1.047 10 0 BDAERO CC(C)S[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043238406 167335552 /nfs/dbraw/zinc/33/55/52/167335552.db2.gz JDZWJZWCTKDQQA-PSASIEDQSA-N 1 0 213.350 1.950 10 0 BDAERO CC(C)[C@@H](C)NC(=O)CN(CCC[NH3+])C(C)C ZINC000049307603 167373203 /nfs/dbraw/zinc/37/32/03/167373203.db2.gz YSJUOQMLWZNHOR-GFCCVEGCSA-N 1 0 243.395 1.206 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000335701938 167384058 /nfs/dbraw/zinc/38/40/58/167384058.db2.gz MHXDKKVEBVSWHC-NXEZZACHSA-N 1 0 212.337 1.678 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000122696144 167384684 /nfs/dbraw/zinc/38/46/84/167384684.db2.gz LOXYLTOTBNBRNI-NXEZZACHSA-N 1 0 208.309 1.747 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000122696576 167385173 /nfs/dbraw/zinc/38/51/73/167385173.db2.gz LOXYLTOTBNBRNI-ZJUUUORDSA-N 1 0 208.309 1.747 10 0 BDAERO CC(C)[C@@H](CN(C)C)[NH2+]CCCn1ccnc1 ZINC000049328144 167394430 /nfs/dbraw/zinc/39/44/30/167394430.db2.gz SVBRNZKRLQXHRS-CYBMUJFWSA-N 1 0 238.379 1.449 10 0 BDAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccccc1N ZINC000049191816 167394936 /nfs/dbraw/zinc/39/49/36/167394936.db2.gz NJISILGGRQLPRE-CYBMUJFWSA-N 1 0 249.358 1.585 10 0 BDAERO CC(C)[C@@H](C[NH2+]C1CC1)N1CCOCC1(C)C ZINC000052546013 167399748 /nfs/dbraw/zinc/39/97/48/167399748.db2.gz GNVFPFWVYGTQRL-CYBMUJFWSA-N 1 0 240.391 1.874 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CC1CCSCC1 ZINC000309333509 410924377 /nfs/dbraw/zinc/92/43/77/410924377.db2.gz SZOMSJKWGMJKBV-MWLCHTKSSA-N 1 0 242.388 1.468 10 0 BDAERO COc1ccc(CNC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000398421133 410965322 /nfs/dbraw/zinc/96/53/22/410965322.db2.gz YKERVUFSUHRDLH-SNVBAGLBSA-N 1 0 238.306 1.533 10 0 BDAERO CC(C)[C@H]1CN(Cc2ccc(O)cc2)CC[NH2+]1 ZINC000083361279 167487815 /nfs/dbraw/zinc/48/78/15/167487815.db2.gz WRMQOUGYGQKOAF-CQSZACIVSA-N 1 0 234.343 1.822 10 0 BDAERO CC(C)[C@H]1CN(Cc2ccncc2)[C@H](C)C[NH2+]1 ZINC000068694981 167491407 /nfs/dbraw/zinc/49/14/07/167491407.db2.gz PRZOWBTYDMDBPK-TZMCWYRMSA-N 1 0 233.359 1.900 10 0 BDAERO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H](O)C1)[C@H](C)[NH3+] ZINC000399525372 411048410 /nfs/dbraw/zinc/04/84/10/411048410.db2.gz SCLVNRYVWMGUFI-QCNOEVLYSA-N 1 0 242.363 1.026 10 0 BDAERO CC(C)[C@]1(C)CC(=O)N(C[C@H](C)C[NH3+])C1=O ZINC000054140507 167537977 /nfs/dbraw/zinc/53/79/77/167537977.db2.gz ATGYQZOQEGWJFZ-SKDRFNHKSA-N 1 0 226.320 1.002 10 0 BDAERO C[C@H](Cc1ccccn1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000655499390 411029568 /nfs/dbraw/zinc/02/95/68/411029568.db2.gz KMFNWSNAHNKBEQ-UTUOFQBUSA-N 1 0 247.342 1.256 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCc1cnn(C)c1 ZINC000399317511 411033869 /nfs/dbraw/zinc/03/38/69/411033869.db2.gz GMTVSBNDQOWZPW-WCQYABFASA-N 1 0 237.347 1.198 10 0 BDAERO CC(C)SCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000591583207 411128677 /nfs/dbraw/zinc/12/86/77/411128677.db2.gz OOIPCFCRFMYFRA-RKDXNWHRSA-N 1 0 216.350 1.076 10 0 BDAERO COc1ccc(NC2CCC([NH3+])CC2)nc1 ZINC000212465907 411147298 /nfs/dbraw/zinc/14/72/98/411147298.db2.gz YBQVJSBWIKWXPI-UHFFFAOYSA-N 1 0 221.304 1.772 10 0 BDAERO COc1ncc(C[NH2+][C@@H](C)[C@H]2CCCO2)s1 ZINC000309359339 411108085 /nfs/dbraw/zinc/10/80/85/411108085.db2.gz NUHWDNGTMTZBHZ-WCBMZHEXSA-N 1 0 242.344 1.809 10 0 BDAERO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])c(C)s1 ZINC000309375905 411114030 /nfs/dbraw/zinc/11/40/30/411114030.db2.gz CQLDHYDOVNAGNJ-SSDOTTSWSA-N 1 0 226.345 1.832 10 0 BDAERO CC1(C)C[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000300358755 411118281 /nfs/dbraw/zinc/11/82/81/411118281.db2.gz LBGRVSHYVNSZQR-HBNTYKKESA-N 1 0 224.348 1.524 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000300359582 411118397 /nfs/dbraw/zinc/11/83/97/411118397.db2.gz KTKDMRFHQBCERO-ZNSHCXBVSA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H](N[C@H]1C[NH2+]C[C@@H](C)C1)[C@H]1CCCO1 ZINC000401712668 411170312 /nfs/dbraw/zinc/17/03/12/411170312.db2.gz FNANWURRNNPLCP-IRCOFANPSA-N 1 0 212.337 1.142 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC(=O)C2)o1 ZINC000111826008 411181519 /nfs/dbraw/zinc/18/15/19/411181519.db2.gz NRWGYPYWFOELRD-GHMZBOCLSA-N 1 0 236.315 1.907 10 0 BDAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](Sc2nc[nH]n2)C1 ZINC000227905788 411181612 /nfs/dbraw/zinc/18/16/12/411181612.db2.gz AYZTVUNPAYJKND-PRJMDXOYSA-N 1 0 212.322 1.413 10 0 BDAERO CC[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000128964211 411192883 /nfs/dbraw/zinc/19/28/83/411192883.db2.gz NZHPUHLCCXDOCN-MNOVXSKESA-N 1 0 212.337 1.761 10 0 BDAERO CCC(CC)(CC)C(=O)NC[C@@H](C)[NH2+]C ZINC000310033004 411194293 /nfs/dbraw/zinc/19/42/93/411194293.db2.gz RSLDINNVDYJMEL-SNVBAGLBSA-N 1 0 214.353 1.927 10 0 BDAERO Cc1cccc(CC(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000061883829 411194719 /nfs/dbraw/zinc/19/47/19/411194719.db2.gz JNWMIXQDMXYGCP-UONOGXRCSA-N 1 0 246.354 1.781 10 0 BDAERO CC(C)n1ccnc(N[C@@H]2CCC[C@@H]2[NH3+])c1=O ZINC000063177165 167770568 /nfs/dbraw/zinc/77/05/68/167770568.db2.gz USKLVDGKFWPDSV-VHSXEESVSA-N 1 0 236.319 1.116 10 0 BDAERO Cc1cnc(CCN[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000656201134 411206042 /nfs/dbraw/zinc/20/60/42/411206042.db2.gz SSEYVGGLDRUAHF-GFCCVEGCSA-N 1 0 219.332 1.192 10 0 BDAERO C[C@H](O)C1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000310099249 411210386 /nfs/dbraw/zinc/21/03/86/411210386.db2.gz AVDOJSXPOMUKSR-SGMGOOAPSA-N 1 0 241.375 1.630 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1nccs1 ZINC000129055734 411216952 /nfs/dbraw/zinc/21/69/52/411216952.db2.gz WZWFTGAXBYLVIR-VIFPVBQESA-N 1 0 241.360 1.175 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCSC[C@@H]1C ZINC000129076689 411218210 /nfs/dbraw/zinc/21/82/10/411218210.db2.gz JRYGGAVRESYQFM-UWVGGRQHSA-N 1 0 230.377 1.324 10 0 BDAERO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000658052442 411219678 /nfs/dbraw/zinc/21/96/78/411219678.db2.gz KSWJDFUJFGLMHG-IJLUTSLNSA-N 1 0 224.348 1.679 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CC=CCC1 ZINC000129113005 411230136 /nfs/dbraw/zinc/23/01/36/411230136.db2.gz LQJRMGSSEITURO-QWRGUYRKSA-N 1 0 210.321 1.585 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccc(N)nc2)C1 ZINC000616634300 411240200 /nfs/dbraw/zinc/24/02/00/411240200.db2.gz QKPZNCONGQYKMN-NSHDSACASA-N 1 0 234.347 1.409 10 0 BDAERO CC(C)[C@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000070541614 411240873 /nfs/dbraw/zinc/24/08/73/411240873.db2.gz URXHSYUZPSMSKD-NSHDSACASA-N 1 0 234.343 1.962 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(F)(F)F ZINC000128878830 411271639 /nfs/dbraw/zinc/27/16/39/411271639.db2.gz HBEHNOKEKMZFNY-LURJTMIESA-N 1 0 212.215 1.038 10 0 BDAERO Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]C2)o1 ZINC000054309099 411272557 /nfs/dbraw/zinc/27/25/57/411272557.db2.gz OEFHSVXIVVLJOX-LLVKDONJSA-N 1 0 236.315 1.594 10 0 BDAERO C[C@H](C[NH3+])C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000054338340 411296387 /nfs/dbraw/zinc/29/63/87/411296387.db2.gz OPKUKOHUGJNKAT-HTQZYQBOSA-N 1 0 242.269 1.737 10 0 BDAERO CC1(C)CC([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000309515583 167889301 /nfs/dbraw/zinc/88/93/01/167889301.db2.gz YPOBQHKHYOTMSK-VIFPVBQESA-N 1 0 220.320 1.371 10 0 BDAERO C[C@H](N[C@H]1C[NH2+]C[C@@H](C)C1)[C@H]1CCCO1 ZINC000401712671 411299178 /nfs/dbraw/zinc/29/91/78/411299178.db2.gz FNANWURRNNPLCP-NNYUYHANSA-N 1 0 212.337 1.142 10 0 BDAERO C[NH2+][C@H](C)Cc1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000656560978 411301205 /nfs/dbraw/zinc/30/12/05/411301205.db2.gz NUNGYMQQIWGTFE-DOLQZWNJSA-N 1 0 221.304 1.734 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ncnc2c1CCCC2 ZINC000656608741 411307523 /nfs/dbraw/zinc/30/75/23/411307523.db2.gz LOVCRKYRELOKSO-UHFFFAOYSA-N 1 0 234.347 1.529 10 0 BDAERO Cc1cnc(C)c(N(C)CC(C)(C)[NH3+])n1 ZINC000656608392 411307680 /nfs/dbraw/zinc/30/76/80/411307680.db2.gz FANQBTUSJGBWBR-UHFFFAOYSA-N 1 0 208.309 1.267 10 0 BDAERO [NH3+]C1(CNc2ncncc2Cl)CCCC1 ZINC000656610707 411308783 /nfs/dbraw/zinc/30/87/83/411308783.db2.gz PSPVDPJYXCUNDG-UHFFFAOYSA-N 1 0 226.711 1.813 10 0 BDAERO CCc1cc(CC)nc(N2CC3CC2(C[NH3+])C3)n1 ZINC000656610842 411308907 /nfs/dbraw/zinc/30/89/07/411308907.db2.gz MSMLMWYKMFGKEO-UHFFFAOYSA-N 1 0 246.358 1.529 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658243369 411309918 /nfs/dbraw/zinc/30/99/18/411309918.db2.gz CSVANRRIPHGAGD-DCAQKATOSA-N 1 0 212.337 1.489 10 0 BDAERO CN1C[C@H](C[NH2+][C@H]2CCCSCC2)CC1=O ZINC000658243278 411310208 /nfs/dbraw/zinc/31/02/08/411310208.db2.gz ZLVPCHZYLDVIRA-QWRGUYRKSA-N 1 0 242.388 1.340 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccs1 ZINC000658243688 411310285 /nfs/dbraw/zinc/31/02/85/411310285.db2.gz FXERDUMLSZUDCG-VHSXEESVSA-N 1 0 238.356 1.877 10 0 BDAERO CN1C[C@H](C[NH2+][C@@H]2CCc3ccccc32)CC1=O ZINC000658245171 411310551 /nfs/dbraw/zinc/31/05/51/411310551.db2.gz PTTSFTVGDDVEQB-SMDDNHRTSA-N 1 0 244.338 1.742 10 0 BDAERO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658246413 411311201 /nfs/dbraw/zinc/31/12/01/411311201.db2.gz ZGLJSSISQBAKHX-GRYCIOLGSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402826135 411317660 /nfs/dbraw/zinc/31/76/60/411317660.db2.gz QFHNVHSJWFBACE-RGDJUOJXSA-N 1 0 248.370 1.845 10 0 BDAERO CC1(C)CC[NH+]([C@H](CN)[C@@H]2CCOC2)CC1 ZINC000061819023 167922926 /nfs/dbraw/zinc/92/29/26/167922926.db2.gz IZXXIEIFJPUCLM-VXGBXAGGSA-N 1 0 226.364 1.472 10 0 BDAERO C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@H](O)C1 ZINC000309798460 411248961 /nfs/dbraw/zinc/24/89/61/411248961.db2.gz VYPQIVXFZADLIP-AGIUHOORSA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)(C)c1cnc(Cn2cc(C[NH3+])nn2)o1 ZINC000050224967 411254279 /nfs/dbraw/zinc/25/42/79/411254279.db2.gz WKNIKJDDQITWRT-UHFFFAOYSA-N 1 0 235.291 1.071 10 0 BDAERO C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]1(C)C(=O)[O-] ZINC000652480400 411254315 /nfs/dbraw/zinc/25/43/15/411254315.db2.gz DYXFYOWLKIVASA-AAEUAGOBSA-N 1 0 240.347 1.410 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000128870426 411259450 /nfs/dbraw/zinc/25/94/50/411259450.db2.gz XYRILHQCBIXQSP-TUAOUCFPSA-N 1 0 226.364 1.864 10 0 BDAERO CCC[C@H](CCO)C[NH2+]C[C@H](O)C(C)(C)C ZINC000304246997 411354868 /nfs/dbraw/zinc/35/48/68/411354868.db2.gz PQXQBORACRZAGU-NEPJUHHUSA-N 1 0 231.380 1.782 10 0 BDAERO C[NH2+][C@H](C)CNc1ncnc2ccccc21 ZINC000304247784 411355547 /nfs/dbraw/zinc/35/55/47/411355547.db2.gz GFYOVLQZCJLEOX-SECBINFHSA-N 1 0 216.288 1.650 10 0 BDAERO CC1(C)CN([C@@H]2CCCC[NH2+]C2)CCO1 ZINC000054135087 167962407 /nfs/dbraw/zinc/96/24/07/167962407.db2.gz LBFWMVGCBDVTFW-LLVKDONJSA-N 1 0 212.337 1.239 10 0 BDAERO CC(C)CCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403988182 411371303 /nfs/dbraw/zinc/37/13/03/411371303.db2.gz IGTAYZGFVJTTDW-RYUDHWBXSA-N 1 0 240.347 1.012 10 0 BDAERO CC1(C)[C@H]([NH2+]CCCCCO)[C@H]2CCO[C@H]21 ZINC000300229827 168004783 /nfs/dbraw/zinc/00/47/83/168004783.db2.gz IABUFZGNGHFVNJ-IJLUTSLNSA-N 1 0 227.348 1.552 10 0 BDAERO CC1(C2=[NH+]CCN2)Oc2ccccc2O1 ZINC000027647820 168015031 /nfs/dbraw/zinc/01/50/31/168015031.db2.gz PZLKTJZFGMMDNF-UHFFFAOYSA-N 1 0 204.229 1.176 10 0 BDAERO CC1(C[C@H]([NH3+])c2ccc(F)cc2)OCCO1 ZINC000041245505 168051372 /nfs/dbraw/zinc/05/13/72/168051372.db2.gz QZAPALOZOYWJQA-NSHDSACASA-N 1 0 225.263 1.979 10 0 BDAERO CC1(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCCCC1 ZINC000094571028 168058959 /nfs/dbraw/zinc/05/89/59/168058959.db2.gz VWTMWTQKTSFCHY-MNOVXSKESA-N 1 0 240.347 1.332 10 0 BDAERO CC1([NH2+][C@@H]2CCOC[C@H]2N)CCCCC1 ZINC000091691216 168064801 /nfs/dbraw/zinc/06/48/01/168064801.db2.gz UGIKJLOXFBHPJV-GHMZBOCLSA-N 1 0 212.337 1.415 10 0 BDAERO CC1(c2nc(-c3cnccn3)no2)CC[NH2+]CC1 ZINC000062843311 168072847 /nfs/dbraw/zinc/07/28/47/168072847.db2.gz VLBHZUXCMOMEID-UHFFFAOYSA-N 1 0 245.286 1.168 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2ccoc2)C1 ZINC000659361615 411377284 /nfs/dbraw/zinc/37/72/84/411377284.db2.gz RFBCCKTULWJUHV-WDEREUQCSA-N 1 0 222.288 1.066 10 0 BDAERO CC1=CC(=O)O[C@@]2(C1)C[C@H]1CC[C@@H]2C[N@H+]1C ZINC000000001311 168092546 /nfs/dbraw/zinc/09/25/46/168092546.db2.gz YBQKKTNDAXVYGX-WZRBSPASSA-N 1 0 221.300 1.733 10 0 endogenous,in-man BDAERO CC[C@@H](NC(=O)[C@]1(COC)CCC[NH2+]1)C(C)C ZINC000659250793 411381580 /nfs/dbraw/zinc/38/15/80/411381580.db2.gz PARSILHMRMPXHL-DGCLKSJQSA-N 1 0 242.363 1.306 10 0 BDAERO CC(C)[C@@H]([NH3+])C(=O)NC1(CO)CCC(C)CC1 ZINC000053127351 168157235 /nfs/dbraw/zinc/15/72/35/168157235.db2.gz JSWYQXLHGUNVNU-QWKFWESOSA-N 1 0 242.363 1.027 10 0 BDAERO CC1CCC([NH2+]C2CCCC2)(C(N)=O)CC1 ZINC000037968825 168162699 /nfs/dbraw/zinc/16/26/99/168162699.db2.gz RSRCDYPCDXXJRW-UHFFFAOYSA-N 1 0 224.348 1.953 10 0 BDAERO CC1CCC([NH2+]CC2CC2)(C(N)=O)CC1 ZINC000038000897 168163321 /nfs/dbraw/zinc/16/33/21/168163321.db2.gz USQQLTGIGZGLOX-UHFFFAOYSA-N 1 0 210.321 1.420 10 0 BDAERO CC1CCN(C(=O)[C@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000019518898 168176014 /nfs/dbraw/zinc/17/60/14/168176014.db2.gz OPBXMFGXSYMUHA-VXGBXAGGSA-N 1 0 224.348 1.776 10 0 BDAERO CC1CCN(C(=O)[C@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000019518900 168176037 /nfs/dbraw/zinc/17/60/37/168176037.db2.gz OPBXMFGXSYMUHA-NWDGAFQWSA-N 1 0 224.348 1.776 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCCc1ccoc1 ZINC000659361233 411376755 /nfs/dbraw/zinc/37/67/55/411376755.db2.gz NJNWMLSRRJLCTA-GFCCVEGCSA-N 1 0 236.315 1.328 10 0 BDAERO CC1CC[NH+](CCn2cc(N)ccc2=O)CC1 ZINC000037065058 168183505 /nfs/dbraw/zinc/18/35/05/168183505.db2.gz SFEFBMYEDKBGAA-UHFFFAOYSA-N 1 0 235.331 1.162 10 0 BDAERO CC1CCN(Cc2csc(CC[NH3+])n2)CC1 ZINC000033468805 168184117 /nfs/dbraw/zinc/18/41/17/168184117.db2.gz URBYTGOLPXXILJ-UHFFFAOYSA-N 1 0 239.388 1.876 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C[C@H](C)O1 ZINC000659374505 411388366 /nfs/dbraw/zinc/38/83/66/411388366.db2.gz MAJPVXBSVXVTAL-NTZNESFSSA-N 1 0 240.347 1.154 10 0 BDAERO C[N@@H+](Cc1cc[nH]n1)C[C@H]1CCC[C@@H](O)C1 ZINC000659919241 411382722 /nfs/dbraw/zinc/38/27/22/411382722.db2.gz BHLNLPJQSVZAMV-CMPLNLGQSA-N 1 0 223.320 1.393 10 0 BDAERO CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000054403831 168267742 /nfs/dbraw/zinc/26/77/42/168267742.db2.gz DDNOBZPHSNEHFD-NXEZZACHSA-N 1 0 212.337 1.809 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1O ZINC000052015036 168289871 /nfs/dbraw/zinc/28/98/71/168289871.db2.gz HODGJECTTMKYBP-WDEREUQCSA-N 1 0 242.363 1.184 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000019426675 168293949 /nfs/dbraw/zinc/29/39/49/168293949.db2.gz VFYOWBDVHYYHKM-LBPRGKRZSA-N 1 0 234.343 1.861 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@@H]1C[NH3+] ZINC000104315591 168294056 /nfs/dbraw/zinc/29/40/56/168294056.db2.gz DCDWDXVICAJKMO-GHMZBOCLSA-N 1 0 241.379 1.103 10 0 BDAERO C[C@H]1CN(C(=O)CCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000069633411 411457413 /nfs/dbraw/zinc/45/74/13/411457413.db2.gz ORCDJGUYPBOBFY-UWVGGRQHSA-N 1 0 228.336 1.140 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CO1 ZINC000657309082 411458002 /nfs/dbraw/zinc/45/80/02/411458002.db2.gz ILGCCZFEKAUGJJ-YFKTTZPYSA-N 1 0 213.321 1.711 10 0 BDAERO Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCCO2)[nH]c1C ZINC000657310049 411459121 /nfs/dbraw/zinc/45/91/21/411459121.db2.gz VXOFIHQDSJYJIF-QWRGUYRKSA-N 1 0 223.320 1.684 10 0 BDAERO OCCc1ccccc1[C@@H]1CCC[NH2+]C1 ZINC000616617762 411395753 /nfs/dbraw/zinc/39/57/53/411395753.db2.gz JRDVRKLYUPYVME-GFCCVEGCSA-N 1 0 205.301 1.688 10 0 BDAERO O=C(c1ccncc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186537263 411410561 /nfs/dbraw/zinc/41/05/61/411410561.db2.gz HJKCWDUNKRJSSH-GFCCVEGCSA-N 1 0 245.326 1.438 10 0 BDAERO Cc1cc(C(C)C)nc(N2CC[C@H](C[NH3+])C2)n1 ZINC000122555235 411432892 /nfs/dbraw/zinc/43/28/92/411432892.db2.gz YQXRPBLXHHCHLJ-LLVKDONJSA-N 1 0 234.347 1.693 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CC(F)F ZINC000122469904 411433166 /nfs/dbraw/zinc/43/31/66/411433166.db2.gz UXCUHXDYZZWPBJ-SSDOTTSWSA-N 1 0 208.252 1.083 10 0 BDAERO CC[C@H]1CN(c2nccc(C)n2)CC[C@@H]1[NH3+] ZINC000122955248 411436219 /nfs/dbraw/zinc/43/62/19/411436219.db2.gz CRMYXTUYEVTFDP-QWRGUYRKSA-N 1 0 220.320 1.349 10 0 BDAERO CC[C@@H]1CN(c2nc(C)cc(C)n2)CC[C@@H]1[NH3+] ZINC000123030995 411437518 /nfs/dbraw/zinc/43/75/18/411437518.db2.gz YPXBSXXZKJFNRK-NEPJUHHUSA-N 1 0 234.347 1.657 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000070533079 411440702 /nfs/dbraw/zinc/44/07/02/411440702.db2.gz AZMARVILIBBNKY-CABZTGNLSA-N 1 0 218.300 1.326 10 0 BDAERO CC[C@H](C)N(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000128898856 411441717 /nfs/dbraw/zinc/44/17/17/411441717.db2.gz FKLVLSOITTUWSQ-UWVGGRQHSA-N 1 0 200.326 1.617 10 0 BDAERO CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000128897586 411441872 /nfs/dbraw/zinc/44/18/72/411441872.db2.gz RBCUUEIVEGSEFH-LLVKDONJSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@@H]([NH3+])CCNCc1ncc(Cl)s1 ZINC000414823016 411448866 /nfs/dbraw/zinc/44/88/66/411448866.db2.gz OBLSCONBSQLTNK-ZCFIWIBFSA-N 1 0 219.741 1.623 10 0 BDAERO CCN(Cc1ccncc1)C[C@@H]([NH3+])CCOC ZINC000052810878 169925397 /nfs/dbraw/zinc/92/53/97/169925397.db2.gz ZGMSRQIAOAPYCC-ZDUSSCGKSA-N 1 0 237.347 1.267 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)o1 ZINC000053038344 411474591 /nfs/dbraw/zinc/47/45/91/411474591.db2.gz QHKRNBNNIRBZMU-JTQLQIEISA-N 1 0 222.288 1.204 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407272031 411476859 /nfs/dbraw/zinc/47/68/59/411476859.db2.gz PXFZBYNEEWKTCV-WKJUBOCMSA-N 1 0 208.305 1.042 10 0 BDAERO OCC[N@H+](CC1CC1)C[C@H]1CCC[C@@H](O)C1 ZINC000659858986 411480116 /nfs/dbraw/zinc/48/01/16/411480116.db2.gz WBCNGFGPIKXPBH-QWHCGFSZSA-N 1 0 227.348 1.242 10 0 BDAERO Cc1nc(C[NH2+][C@H]2CCO[C@H]2C)[nH]c1C ZINC000657420306 411501607 /nfs/dbraw/zinc/50/16/07/411501607.db2.gz CWTFHAZYLWXJRT-UWVGGRQHSA-N 1 0 209.293 1.294 10 0 BDAERO CCC1(O)CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659959366 411512276 /nfs/dbraw/zinc/51/22/76/411512276.db2.gz DCPRCFKVEYXZTM-GHMZBOCLSA-N 1 0 213.321 1.137 10 0 BDAERO CCN1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000056894787 170000508 /nfs/dbraw/zinc/00/05/08/170000508.db2.gz AZLZNHHURYNMMC-GFCCVEGCSA-N 1 0 208.280 1.792 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H]2CCOC2(C)C)C1 ZINC000336327049 170014519 /nfs/dbraw/zinc/01/45/19/170014519.db2.gz CGMNOPFIWMHSLZ-GHMZBOCLSA-N 1 0 212.337 1.238 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2nccc(C)n2)C1 ZINC000061859025 170016069 /nfs/dbraw/zinc/01/60/69/170016069.db2.gz CDEPJQGJXPSMOY-LLVKDONJSA-N 1 0 220.320 1.539 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000037484457 170016166 /nfs/dbraw/zinc/01/61/66/170016166.db2.gz JCFJIYRPNVXJRY-LLVKDONJSA-N 1 0 205.305 1.835 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2nccs2)C1 ZINC000037484451 170017096 /nfs/dbraw/zinc/01/70/96/170017096.db2.gz UVTONRRUMOBEJQ-SECBINFHSA-N 1 0 211.334 1.897 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(O)c(C)c2)C1 ZINC000334576650 170021056 /nfs/dbraw/zinc/02/10/56/170021056.db2.gz APDRJLOBNKABCJ-LBPRGKRZSA-N 1 0 248.326 1.525 10 0 BDAERO CC[N@@H+]1CCc2[nH]c(=S)sc2C1 ZINC000070598253 170025438 /nfs/dbraw/zinc/02/54/38/170025438.db2.gz VHBLTGQBYGKIJJ-UHFFFAOYSA-N 1 0 200.332 1.810 10 0 BDAERO CCN1C[C@H]([NH2+]C2CCSCC2)[C@@H](C)C1 ZINC000336773368 170035850 /nfs/dbraw/zinc/03/58/50/170035850.db2.gz YOVWBIYHLOKCJX-JQWIXIFHSA-N 1 0 228.405 1.812 10 0 BDAERO CCN1C[C@H]([NH2+]Cc2cccn2C)[C@@H](C)C1 ZINC000336675681 170036705 /nfs/dbraw/zinc/03/67/05/170036705.db2.gz BCLSDWOGDITOQN-AAEUAGOBSA-N 1 0 221.348 1.455 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000657522625 411540833 /nfs/dbraw/zinc/54/08/33/411540833.db2.gz IRCUYGQGETVODB-CYBMUJFWSA-N 1 0 230.311 1.542 10 0 BDAERO CCN1c2ccccc2C[C@H]1C1=[NH+]CCN1 ZINC000029321157 170041435 /nfs/dbraw/zinc/04/14/35/170041435.db2.gz FDMPLCLPGYUBGT-LBPRGKRZSA-N 1 0 215.300 1.439 10 0 BDAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000657524558 411541912 /nfs/dbraw/zinc/54/19/12/411541912.db2.gz SVQLAJJQAZAYEC-ZMLRMANQSA-N 1 0 222.332 1.457 10 0 BDAERO CCNC(=O)C[C@@H]([NH3+])c1cccc(OCC)c1 ZINC000041270893 170069063 /nfs/dbraw/zinc/06/90/63/170069063.db2.gz YEKSSVVSQJNJNO-GFCCVEGCSA-N 1 0 236.315 1.611 10 0 BDAERO CCNC(=O)Cn1c2ccc(N)cc2[nH+]c1CC ZINC000052852959 170071020 /nfs/dbraw/zinc/07/10/20/170071020.db2.gz ZSNKKZGEQRLYHZ-UHFFFAOYSA-N 1 0 246.314 1.317 10 0 BDAERO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC)C2)CO1 ZINC000657495655 411535522 /nfs/dbraw/zinc/53/55/22/411535522.db2.gz KOHIGHHOSBJDGG-QJPTWQEYSA-N 1 0 212.337 1.238 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccccn1 ZINC000076610714 170089735 /nfs/dbraw/zinc/08/97/35/170089735.db2.gz VHRQGNPLQUXPAH-JTQLQIEISA-N 1 0 221.304 1.040 10 0 BDAERO CCNC(=O)[C@@H](CC[NH3+])c1ccc(CC)cc1 ZINC000076616313 170090027 /nfs/dbraw/zinc/09/00/27/170090027.db2.gz NOYHQYFUCOBQPY-ZDUSSCGKSA-N 1 0 234.343 1.818 10 0 BDAERO CCNC(=O)[C@@]1(c2ccccc2)C[C@H]1C[NH3+] ZINC000001846955 170092453 /nfs/dbraw/zinc/09/24/53/170092453.db2.gz UVKUMJGXPDEXSQ-WCQYABFASA-N 1 0 218.300 1.039 10 0 BDAERO CC[NH2+]C(C)(C)CN1C[C@H](C)OC[C@@H]1C ZINC000061299683 170107385 /nfs/dbraw/zinc/10/73/85/170107385.db2.gz KLYNCLPARYSGMM-QWRGUYRKSA-N 1 0 214.353 1.484 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCCO[C@@H](C)C1 ZINC000061934314 170107682 /nfs/dbraw/zinc/10/76/82/170107682.db2.gz MWMVHEZJVDIHMV-NSHDSACASA-N 1 0 214.353 1.485 10 0 BDAERO CC[NH2+]C1CCN([C@H](C)[C@@H]2CCCO2)CC1 ZINC000035735968 170109751 /nfs/dbraw/zinc/10/97/51/170109751.db2.gz KYKGSAUACLDJBE-YPMHNXCESA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+]CCC(=O)Nc1ccc(C)cc1OC ZINC000061293808 170111431 /nfs/dbraw/zinc/11/14/31/170111431.db2.gz JGILDLMFHYOJOC-UHFFFAOYSA-N 1 0 236.315 1.942 10 0 BDAERO CC[NH2+]CCC(=O)N(C)Cc1ccc(C)cc1 ZINC000061288349 170111766 /nfs/dbraw/zinc/11/17/66/170111766.db2.gz GNCOKPQDDRSRKC-UHFFFAOYSA-N 1 0 234.343 1.953 10 0 BDAERO CC[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000061278568 170112138 /nfs/dbraw/zinc/11/21/38/170112138.db2.gz NQDQJIBKAAOPDR-UHFFFAOYSA-N 1 0 238.356 1.632 10 0 BDAERO CC[NH2+]CCCNc1ccc(C(N)=O)cc1F ZINC000038043507 170112613 /nfs/dbraw/zinc/11/26/13/170112613.db2.gz SMGZYUAELLMJGH-UHFFFAOYSA-N 1 0 239.294 1.336 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(CCO)C(CC)CC ZINC000061267845 170118151 /nfs/dbraw/zinc/11/81/51/170118151.db2.gz CBMQNPXCELTYSV-LLVKDONJSA-N 1 0 244.379 1.242 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccoc1C ZINC000061267645 170118252 /nfs/dbraw/zinc/11/82/52/170118252.db2.gz ZAUFDTLTBKAUSI-SNVBAGLBSA-N 1 0 238.331 1.792 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCC[C@@H]1C ZINC000061227000 170118354 /nfs/dbraw/zinc/11/83/54/170118354.db2.gz QURRWZYXPKJUAX-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]C[C@@H](C)c1nnc2ccc(C)nn21 ZINC000061219798 170118952 /nfs/dbraw/zinc/11/89/52/170118952.db2.gz HUAUOPVNBQFDMI-MRVPVSSYSA-N 1 0 219.292 1.146 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cccc(C)c1C ZINC000032014560 170119011 /nfs/dbraw/zinc/11/90/11/170119011.db2.gz WCLSQCZYBBDKEE-GFCCVEGCSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@@H](O)c1cc(OC)c(C)cc1OC ZINC000071549485 170120056 /nfs/dbraw/zinc/12/00/56/170120056.db2.gz ZTXVTUCKXXWCHW-LLVKDONJSA-N 1 0 239.315 1.655 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1cc(C)ccn1 ZINC000053697061 170120143 /nfs/dbraw/zinc/12/01/43/170120143.db2.gz PDBVTNNQFCIISU-LBPRGKRZSA-N 1 0 219.332 1.968 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc(OCC)c(F)c1 ZINC000071533181 170120184 /nfs/dbraw/zinc/12/01/84/170120184.db2.gz RGQOHCXQUKMOHL-LLVKDONJSA-N 1 0 227.279 1.867 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1cccc(OC)c1 ZINC000071511703 170122481 /nfs/dbraw/zinc/12/24/81/170122481.db2.gz OCFDTHYCDJHUHZ-LLVKDONJSA-N 1 0 209.289 1.208 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1cccc(C)n1 ZINC000053696880 170122695 /nfs/dbraw/zinc/12/26/95/170122695.db2.gz ZIBBYFAWLXQNDV-GFCCVEGCSA-N 1 0 219.332 1.968 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2ncccn2)C1 ZINC000053695902 170122796 /nfs/dbraw/zinc/12/27/96/170122796.db2.gz ZTDGQQOKKYVLRA-LLVKDONJSA-N 1 0 220.320 1.303 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2nccn2C)C1 ZINC000053696211 170122800 /nfs/dbraw/zinc/12/28/00/170122800.db2.gz PZEQQGRKUOYGGY-LLVKDONJSA-N 1 0 222.336 1.246 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1ccccc1Cl ZINC000071518924 170122964 /nfs/dbraw/zinc/12/29/64/170122964.db2.gz ZZCSHJZCOLDYFX-SNVBAGLBSA-N 1 0 213.708 1.853 10 0 BDAERO CC[NH2+]Cc1ccc(-n2cc(Cl)cn2)nn1 ZINC000051492755 170126796 /nfs/dbraw/zinc/12/67/96/170126796.db2.gz BQTTYGDFNMJIJK-UHFFFAOYSA-N 1 0 237.694 1.425 10 0 BDAERO CC[NH2+]Cc1cccc(Br)n1 ZINC000060170562 170128176 /nfs/dbraw/zinc/12/81/76/170128176.db2.gz IAIHYSLJWQCFHF-UHFFFAOYSA-N 1 0 215.094 1.954 10 0 BDAERO CC[NH2+]Cc1cccc(-n2cc(C)cn2)n1 ZINC000051491915 170128206 /nfs/dbraw/zinc/12/82/06/170128206.db2.gz VYYAERPBRKVNQD-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1cccc(-n2ccnc2C)n1 ZINC000051490845 170128280 /nfs/dbraw/zinc/12/82/80/170128280.db2.gz SZAPFGWTCBGKMB-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1cccc(OC)c1OCCOC ZINC000035413659 170128471 /nfs/dbraw/zinc/12/84/71/170128471.db2.gz NJBJROLBEYHPJO-UHFFFAOYSA-N 1 0 239.315 1.830 10 0 BDAERO CC[NH2+]Cc1ccccc1N1CC[C@@H](O)C1 ZINC000061711291 170129707 /nfs/dbraw/zinc/12/97/07/170129707.db2.gz OJEVESJOSJSOEJ-GFCCVEGCSA-N 1 0 220.316 1.367 10 0 BDAERO CC[NH2+]Cc1cnn(-c2ccccn2)c1 ZINC000040932425 170131026 /nfs/dbraw/zinc/13/10/26/170131026.db2.gz VLVGOQZBRYMACD-UHFFFAOYSA-N 1 0 202.261 1.377 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H]1CCC[C@H](C)[C@@H]1C ZINC000054745855 170131524 /nfs/dbraw/zinc/13/15/24/170131524.db2.gz OAVAZFWNRZKEKL-DCAQKATOSA-N 1 0 237.351 1.780 10 0 BDAERO CC[NH2+]Cc1nc2cc(C)ccc2n1C ZINC000044623751 170131580 /nfs/dbraw/zinc/13/15/80/170131580.db2.gz LYYKEZGVQZEPDV-UHFFFAOYSA-N 1 0 203.289 1.991 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N(C)C[C@H]1CCCCO1 ZINC000061274083 170139492 /nfs/dbraw/zinc/13/94/92/170139492.db2.gz VGUFPRKYGYUTDL-NWDGAFQWSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+][C@@H](C)c1nnc(-c2cscn2)o1 ZINC000062362155 170142836 /nfs/dbraw/zinc/14/28/36/170142836.db2.gz OGSFJFGMGITBPA-LURJTMIESA-N 1 0 224.289 1.864 10 0 BDAERO CC[NH2+][C@@H](CC)[C@H](C)c1nc(CCOC)no1 ZINC000104168143 170144237 /nfs/dbraw/zinc/14/42/37/170144237.db2.gz RZUZQOBNTSMWPB-UWVGGRQHSA-N 1 0 241.335 1.750 10 0 BDAERO CC[NH2+][C@@H](CCO)c1ccc2c(c1)OCO2 ZINC000083617471 170145439 /nfs/dbraw/zinc/14/54/39/170145439.db2.gz WTSCGGVAHIPKEF-JTQLQIEISA-N 1 0 223.272 1.448 10 0 BDAERO CC[NH2+][C@@H](CC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000062443512 170145598 /nfs/dbraw/zinc/14/55/98/170145598.db2.gz AODWTWXIYMBVQV-SRVKXCTJSA-N 1 0 242.363 1.702 10 0 BDAERO CC[NH2+][C@@H]1CC(C)(C)Cc2nc(N)ncc21 ZINC000050101228 170150077 /nfs/dbraw/zinc/15/00/77/170150077.db2.gz DMRMOXMVDKKPSX-SECBINFHSA-N 1 0 220.320 1.682 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1N1CCCOCC1 ZINC000061918051 170150314 /nfs/dbraw/zinc/15/03/14/170150314.db2.gz RPSMELOLIBSKBX-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+][C@@H]1CCCCC[C@@H]1S(C)(=O)=O ZINC000054930358 170150645 /nfs/dbraw/zinc/15/06/45/170150645.db2.gz LFOLMFYYASNPKQ-ZJUUUORDSA-N 1 0 219.350 1.342 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cccc(C)c2)C1=O ZINC000049648853 170151975 /nfs/dbraw/zinc/15/19/75/170151975.db2.gz GKVKSQDIIUSUEY-CYBMUJFWSA-N 1 0 232.327 1.705 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccc(C)o2)C1=O ZINC000049649222 170152045 /nfs/dbraw/zinc/15/20/45/170152045.db2.gz VDMCPYQMNJUXCE-WDEREUQCSA-N 1 0 236.315 1.859 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccccn2)C1=O ZINC000049648723 170152429 /nfs/dbraw/zinc/15/24/29/170152429.db2.gz CJGCYQGTUJREOD-CMPLNLGQSA-N 1 0 233.315 1.353 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1=O ZINC000049647675 170152751 /nfs/dbraw/zinc/15/27/51/170152751.db2.gz HLXXCDFQNOSPFY-SNVBAGLBSA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC000037483655 170152760 /nfs/dbraw/zinc/15/27/60/170152760.db2.gz JSGIOLXFDFQECZ-NWDGAFQWSA-N 1 0 219.332 1.826 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(F)cc2C)C1=O ZINC000049647635 170152969 /nfs/dbraw/zinc/15/29/69/170152969.db2.gz VNNUAZCMZLEHPM-LLVKDONJSA-N 1 0 236.290 1.849 10 0 BDAERO CC[NH2+][C@@]1(C(N)=O)C[C@H](C)CC(C)(C)C1 ZINC000037869532 170156291 /nfs/dbraw/zinc/15/62/91/170156291.db2.gz SZOJLIMLGFJDAC-SKDRFNHKSA-N 1 0 212.337 1.666 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCc2ccccc2C1 ZINC000061269024 170157068 /nfs/dbraw/zinc/15/70/68/170157068.db2.gz ZZZKKXVVYDJGIK-GFCCVEGCSA-N 1 0 246.354 1.959 10 0 BDAERO CC[NH2+][C@H](C)CN1CCCO[C@H](C)C1 ZINC000061917188 170157130 /nfs/dbraw/zinc/15/71/30/170157130.db2.gz ACECCNFOTYZTEB-GHMZBOCLSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+][C@H](C)c1nnc(-c2cscn2)o1 ZINC000062362157 170159859 /nfs/dbraw/zinc/15/98/59/170159859.db2.gz OGSFJFGMGITBPA-ZCFIWIBFSA-N 1 0 224.289 1.864 10 0 BDAERO CC[NH2+][C@H](CO)c1ccc(OC)c(CC)c1 ZINC000071531122 170162446 /nfs/dbraw/zinc/16/24/46/170162446.db2.gz LHGAJUVBNSKEIY-GFCCVEGCSA-N 1 0 223.316 1.901 10 0 BDAERO CC[NH2+][C@H]([C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000043300870 170162956 /nfs/dbraw/zinc/16/29/56/170162956.db2.gz OONNVIRKLWZWNL-NXEZZACHSA-N 1 0 233.377 1.445 10 0 BDAERO CC[NH2+][C@H](c1cccs1)[C@H]1COCCO1 ZINC000055300030 170164769 /nfs/dbraw/zinc/16/47/69/170164769.db2.gz UCCXUJFEKPUVHW-KOLCDFICSA-N 1 0 227.329 1.814 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@H]1CN1CCOCC1 ZINC000060720693 170166300 /nfs/dbraw/zinc/16/63/00/170166300.db2.gz OYPXHFVSDOOYBK-STQMWFEESA-N 1 0 226.364 1.487 10 0 BDAERO CC[NH2+][C@H]1CCN(CC2CCCC2)C1=O ZINC000049648082 170166715 /nfs/dbraw/zinc/16/67/15/170166715.db2.gz PMXCGBCKERVNGO-NSHDSACASA-N 1 0 210.321 1.387 10 0 BDAERO CC[NH2+][C@H]1CCC[C@@H]1N(C)C[C@@H]1CCCOC1 ZINC000104194847 170166854 /nfs/dbraw/zinc/16/68/54/170166854.db2.gz JAMZZDIQSVGSMH-IHRRRGAJSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cccc(OC)c2)C1=O ZINC000049647918 170167830 /nfs/dbraw/zinc/16/78/30/170167830.db2.gz MOMJIQPLWGCWQS-LBPRGKRZSA-N 1 0 234.299 1.410 10 0 BDAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(F)c(Cl)c1 ZINC000037447711 170170480 /nfs/dbraw/zinc/17/04/80/170170480.db2.gz OOOYHSBKBSVYEK-NSHDSACASA-N 1 0 244.697 1.789 10 0 BDAERO CCOC(=O)C(CC)(CC)N1CCC[NH2+]CC1 ZINC000037959578 170188341 /nfs/dbraw/zinc/18/83/41/170188341.db2.gz DYCJCGXWOOHAGQ-UHFFFAOYSA-N 1 0 242.363 1.404 10 0 BDAERO CCOC(=O)CC[NH2+]CCOc1ccccc1 ZINC000041570497 170208733 /nfs/dbraw/zinc/20/87/33/170208733.db2.gz UNVIAYNXIYKXKS-UHFFFAOYSA-N 1 0 237.299 1.608 10 0 BDAERO CCOC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000035735556 170210267 /nfs/dbraw/zinc/21/02/67/170210267.db2.gz LOBCQVNQEYKTIY-ZJUUUORDSA-N 1 0 215.293 1.097 10 0 BDAERO CCOC(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000019843879 170237479 /nfs/dbraw/zinc/23/74/79/170237479.db2.gz VNBALPZCGGENNJ-JTQLQIEISA-N 1 0 214.309 1.607 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1c(F)cccc1F ZINC000019415311 170242757 /nfs/dbraw/zinc/24/27/57/170242757.db2.gz PIVBNRQYHUKIGD-VIFPVBQESA-N 1 0 244.241 1.711 10 0 BDAERO CCOC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000036263648 170243233 /nfs/dbraw/zinc/24/32/33/170243233.db2.gz LQQJWGBHEXSMEZ-SECBINFHSA-N 1 0 212.293 1.407 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])Cc1c(C)cccc1C ZINC000076159987 170251910 /nfs/dbraw/zinc/25/19/10/170251910.db2.gz ZNYURDPILQWGJH-GFCCVEGCSA-N 1 0 235.327 1.984 10 0 BDAERO CCOC(=O)[C@@](C)(O)C[NH2+]C1(C(C)C)CC1 ZINC000339510251 170262731 /nfs/dbraw/zinc/26/27/31/170262731.db2.gz VYFAVAUTKNBWCB-NSHDSACASA-N 1 0 229.320 1.079 10 0 BDAERO CCOC(=O)c1ccc([C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000034946311 170298154 /nfs/dbraw/zinc/29/81/54/170298154.db2.gz DMIGPVCYWKGEJJ-OCCSQVGLSA-N 1 0 231.295 1.724 10 0 BDAERO CCOC(=O)c1ccccc1NC(=O)[C@H](C)[NH3+] ZINC000011958199 170300146 /nfs/dbraw/zinc/30/01/46/170300146.db2.gz YYCARHWVPZHNAZ-QMMMGPOBSA-N 1 0 236.271 1.149 10 0 BDAERO CCOC(=O)c1ccccc1NC(=O)CC[NH3+] ZINC000011755278 170300361 /nfs/dbraw/zinc/30/03/61/170300361.db2.gz XIDJLQFYGZJQKU-UHFFFAOYSA-N 1 0 236.271 1.151 10 0 BDAERO CCOC(=O)c1cnc([C@@H](C)[NH3+])s1 ZINC000097757631 170302608 /nfs/dbraw/zinc/30/26/08/170302608.db2.gz NVCNZNGSQJKWES-RXMQYKEDSA-N 1 0 200.263 1.340 10 0 BDAERO Cc1c(C[NH2+]C[C@@]2(C)CC2(F)F)cnn1C ZINC000657667032 411573222 /nfs/dbraw/zinc/57/32/22/411573222.db2.gz WWNGXXOAGVWYIO-SNVBAGLBSA-N 1 0 229.274 1.863 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@H](C)O2)cnn1C ZINC000657669440 411574466 /nfs/dbraw/zinc/57/44/66/411574466.db2.gz ZFLUNMGMXQOFPD-GWCFXTLKSA-N 1 0 237.347 1.776 10 0 BDAERO CCOCCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000123540389 170363764 /nfs/dbraw/zinc/36/37/64/170363764.db2.gz UYMFYQXPEZBKLI-UHFFFAOYSA-N 1 0 248.326 1.697 10 0 BDAERO CCOCCC[N@@H+]1C[C@H](CC)NC[C@@H]1CC ZINC000083088812 170375860 /nfs/dbraw/zinc/37/58/60/170375860.db2.gz ZYMUENHAXFUWGK-STQMWFEESA-N 1 0 228.380 1.875 10 0 BDAERO CCOCCC[NH2+]CCN1C[C@@H](C)C[C@H](C)C1 ZINC000053344544 170380416 /nfs/dbraw/zinc/38/04/16/170380416.db2.gz NPTAIGVYGMQYPP-KBPBESRZSA-N 1 0 242.407 1.981 10 0 BDAERO CCOCCC[NH2+]C[C@H](C)OC[C@@H]1CCCO1 ZINC000053556728 170380530 /nfs/dbraw/zinc/38/05/30/170380530.db2.gz MKNDWGDFBVYKES-STQMWFEESA-N 1 0 245.363 1.587 10 0 BDAERO CCOCCC[NH2+][C@H](C)C(=O)N(CC)CC ZINC000034938535 170382268 /nfs/dbraw/zinc/38/22/68/170382268.db2.gz MVAKPYVTPLPBID-LLVKDONJSA-N 1 0 230.352 1.260 10 0 BDAERO CCOCCN(CC)C(=O)[C@H]1[NH2+]CCC[C@@H]1C ZINC000104196833 170393812 /nfs/dbraw/zinc/39/38/12/170393812.db2.gz CMYTZWIOIXSKKD-RYUDHWBXSA-N 1 0 242.363 1.260 10 0 BDAERO CCOCC[N@H+](CC)[C@@H]1CCCC[C@@H]1O ZINC000082537490 170396241 /nfs/dbraw/zinc/39/62/41/170396241.db2.gz CIVNWXMFXQOASN-NEPJUHHUSA-N 1 0 215.337 1.648 10 0 BDAERO CCOCCOC[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052604424 170419175 /nfs/dbraw/zinc/41/91/75/170419175.db2.gz JPSGWXRWPBFUDG-STQMWFEESA-N 1 0 243.347 1.339 10 0 BDAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c(C)c1 ZINC000657693981 411579717 /nfs/dbraw/zinc/57/97/17/411579717.db2.gz HZDNGNWXTKIECY-CYBMUJFWSA-N 1 0 246.354 1.871 10 0 BDAERO Cc1ccsc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657695023 411581164 /nfs/dbraw/zinc/58/11/64/411581164.db2.gz SZHIMSQGNZXKIP-SNVBAGLBSA-N 1 0 238.356 1.624 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694790 411581377 /nfs/dbraw/zinc/58/13/77/411581377.db2.gz GPHQFJMMUQSKQW-UTUOFQBUSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@H]1CC1(C)C ZINC000657695467 411581410 /nfs/dbraw/zinc/58/14/10/411581410.db2.gz MMEFXABYFBSGGK-GARJFASQSA-N 1 0 224.348 1.489 10 0 BDAERO CN1C[C@@H](C[NH2+]Cc2ccc(Cl)o2)CC1=O ZINC000657695220 411581468 /nfs/dbraw/zinc/58/14/68/411581468.db2.gz WFOYWHHCOFCIIE-MRVPVSSYSA-N 1 0 242.706 1.501 10 0 BDAERO CCOC[C@H](C)NC(=O)C1(CC)CC[NH2+]CC1 ZINC000062850102 170444411 /nfs/dbraw/zinc/44/44/11/170444411.db2.gz XCHHJYSABOXWLS-NSHDSACASA-N 1 0 242.363 1.307 10 0 BDAERO OCC1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000657808872 411600750 /nfs/dbraw/zinc/60/07/50/411600750.db2.gz PWFHBSNCIRPDEH-UHFFFAOYSA-N 1 0 209.264 1.686 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH3+])C(c2ccccc2)=NO1 ZINC000039098913 170482106 /nfs/dbraw/zinc/48/21/06/170482106.db2.gz XYBHDDKGYLCICX-MNOVXSKESA-N 1 0 220.272 1.501 10 0 BDAERO CCO[C@H]1C[C@H]([NH3+])[C@@H]1Oc1ccccc1 ZINC000095883805 170510265 /nfs/dbraw/zinc/51/02/65/170510265.db2.gz JRKQERSGLFDFAY-SRVKXCTJSA-N 1 0 207.273 1.570 10 0 BDAERO CCOc1c(OC)cc(C[C@H](C)[NH3+])cc1OC ZINC000027301716 170515880 /nfs/dbraw/zinc/51/58/80/170515880.db2.gz AHLXCGRWNKUNTQ-VIFPVBQESA-N 1 0 239.315 1.992 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000660900536 411665240 /nfs/dbraw/zinc/66/52/40/411665240.db2.gz IZQHNLMVCJCQBO-KKOKHZNYSA-N 1 0 211.305 1.011 10 0 BDAERO CCOc1cc([C@H](O)C[NH2+]C)ccc1OC ZINC000032014994 170529375 /nfs/dbraw/zinc/52/93/75/170529375.db2.gz LDVYFRFTTBXDTJ-SNVBAGLBSA-N 1 0 225.288 1.347 10 0 BDAERO CCOc1ccc(C[C@@H](O)CC[NH3+])cc1 ZINC000041218599 170547747 /nfs/dbraw/zinc/54/77/47/170547747.db2.gz QLTJQKXYSFZBRL-NSHDSACASA-N 1 0 209.289 1.338 10 0 BDAERO CCOc1ccc([C@@H](O)CC[NH2+]C)cc1 ZINC000049814568 170559999 /nfs/dbraw/zinc/55/99/99/170559999.db2.gz XEZVDHNIRKDUBG-LBPRGKRZSA-N 1 0 209.289 1.728 10 0 BDAERO CCOc1cccc(OCC[C@H](O)C[NH3+])c1 ZINC000019668530 170583683 /nfs/dbraw/zinc/58/36/83/170583683.db2.gz UGKFQUJNPVDQII-JTQLQIEISA-N 1 0 225.288 1.174 10 0 BDAERO CCOc1ccccc1[C@H](O)C[NH2+]C1CC1 ZINC000032013876 170600200 /nfs/dbraw/zinc/60/02/00/170600200.db2.gz AWVXLWIHCXBARH-GFCCVEGCSA-N 1 0 221.300 1.871 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661169981 411725916 /nfs/dbraw/zinc/72/59/16/411725916.db2.gz VWZIUIGVANCFCH-QWHCGFSZSA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)(C)[NH+]1CCC(n2ccc(N)n2)CC1 ZINC000616619129 411864041 /nfs/dbraw/zinc/86/40/41/411864041.db2.gz FIJQJGYRLXPIAW-UHFFFAOYSA-N 1 0 222.336 1.901 10 0 BDAERO C[C@@H]1C[NH+]([C@@H]2CCC[C@H]2O)C[C@@H](C)C1=O ZINC000661539240 411797558 /nfs/dbraw/zinc/79/75/58/411797558.db2.gz ORFZPZIMQAYKKO-GWOFURMSSA-N 1 0 211.305 1.057 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](n2ccc(N)n2)CC1 ZINC000616592593 411865720 /nfs/dbraw/zinc/86/57/20/411865720.db2.gz CRHSDTPWHACDMC-LLVKDONJSA-N 1 0 224.308 1.095 10 0 BDAERO CC[C@](C)(O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661630385 411823586 /nfs/dbraw/zinc/82/35/86/411823586.db2.gz ZWTKETDQYBNZEF-FOGDFJRCSA-N 1 0 215.337 1.096 10 0 BDAERO CC[N@@H+]1CCCC[C@H](c2cc(N)n[nH]2)C1 ZINC000616602250 411856677 /nfs/dbraw/zinc/85/66/77/411856677.db2.gz JJHNCDMDCUIXAQ-VIFPVBQESA-N 1 0 208.309 1.581 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1c[nH]nc1N ZINC000616606974 411860692 /nfs/dbraw/zinc/86/06/92/411860692.db2.gz AKVCHJKTNACJTP-VIFPVBQESA-N 1 0 208.309 1.927 10 0 BDAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1c[nH]nc1N ZINC000616596833 411862824 /nfs/dbraw/zinc/86/28/24/411862824.db2.gz INEAGGXMBWXUTJ-JTQLQIEISA-N 1 0 238.335 1.554 10 0 BDAERO CCOC(=O)N1CC[C@H](c2ccnc(N)c2)C1 ZINC000616610685 411863102 /nfs/dbraw/zinc/86/31/02/411863102.db2.gz SZDGLIPWNBBKFG-JTQLQIEISA-N 1 0 235.287 1.610 10 0 BDAERO CCOC(=O)N1CCC[C@@H]1c1ccc(N)nc1 ZINC000616607634 411863655 /nfs/dbraw/zinc/86/36/55/411863655.db2.gz WDQJGKZFFSABHK-SNVBAGLBSA-N 1 0 235.287 1.957 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)c1cccc2cc[nH]c21 ZINC000133682895 411895315 /nfs/dbraw/zinc/89/53/15/411895315.db2.gz YFKQYSQFZZYHCQ-JTQLQIEISA-N 1 0 243.310 1.507 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000324471306 487621106 /nfs/dbraw/zinc/62/11/06/487621106.db2.gz HBGOJMMDLOBCLE-OLZOCXBDSA-N 1 0 243.391 1.924 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2cc(N)n[nH]2)C1 ZINC000616653905 411870248 /nfs/dbraw/zinc/87/02/48/411870248.db2.gz YUSATHDSXLBTPT-SNVBAGLBSA-N 1 0 224.308 1.164 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@H](n2ccc(N)n2)C1 ZINC000616617439 411871761 /nfs/dbraw/zinc/87/17/61/411871761.db2.gz XSBJOKFDBWTFFX-SNVBAGLBSA-N 1 0 208.309 1.511 10 0 BDAERO Cc1ccc(CC(=O)NC[C@H]2CC[NH2+]C2)cc1C ZINC000133632602 411872577 /nfs/dbraw/zinc/87/25/77/411872577.db2.gz VRABLUUYSHIEJE-AWEZNQCLSA-N 1 0 246.354 1.572 10 0 BDAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccnc(N)c1 ZINC000616637306 411872587 /nfs/dbraw/zinc/87/25/87/411872587.db2.gz JMYGEJRISWSHLV-LLVKDONJSA-N 1 0 220.320 1.019 10 0 BDAERO CC[C@@H]([NH3+])C(=O)c1cc(C)ccc1OC ZINC000032011728 170864142 /nfs/dbraw/zinc/86/41/42/170864142.db2.gz CVLQZIFKWPJNJG-SNVBAGLBSA-N 1 0 207.273 1.924 10 0 BDAERO CC[C@@H]([NH3+])Cc1nccn1CCc1ccccn1 ZINC000062803124 170865978 /nfs/dbraw/zinc/86/59/78/170865978.db2.gz OYKNGCBSQXHPCA-GFCCVEGCSA-N 1 0 244.342 1.801 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCOC1)c1cnn(C)c1 ZINC000104155329 170866902 /nfs/dbraw/zinc/86/69/02/170866902.db2.gz MBNKIUUNUIYYKT-UTUOFQBUSA-N 1 0 239.319 1.004 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(O)c(Cl)c1 ZINC000043476862 170867268 /nfs/dbraw/zinc/86/72/68/170867268.db2.gz RMPNEFMRZGEJRF-SCZZXKLOSA-N 1 0 215.680 1.816 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)n1cncn1 ZINC000042915830 170867666 /nfs/dbraw/zinc/86/76/66/170867666.db2.gz CRYPYXNMCKTMKN-VXGBXAGGSA-N 1 0 234.278 1.744 10 0 BDAERO CC[C@@H]([NH2+]CCCS(C)(=O)=O)C(C)(C)C ZINC000309190407 170894923 /nfs/dbraw/zinc/89/49/23/170894923.db2.gz PPOPMYIVVJWOLZ-SNVBAGLBSA-N 1 0 235.393 1.835 10 0 BDAERO C[C@@H]([NH3+])CNc1ccc(C(F)(F)F)nn1 ZINC000132512018 412017427 /nfs/dbraw/zinc/01/74/27/412017427.db2.gz MGVDFTASLQVHEV-RXMQYKEDSA-N 1 0 220.198 1.255 10 0 BDAERO Cn1c(N)[nH+]c2ccc(F)c(Br)c21 ZINC000575510762 411946251 /nfs/dbraw/zinc/94/62/51/411946251.db2.gz MKTSDQDSXACIPW-UHFFFAOYSA-N 1 0 244.067 2.057 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000336747105 171043593 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ZINC000083361412 171103030 /nfs/dbraw/zinc/10/30/30/171103030.db2.gz STXYEWLSNSKAER-DGCLKSJQSA-N 1 0 234.343 1.965 10 0 BDAERO CC[C@@H]1COCCN1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052481343 171108244 /nfs/dbraw/zinc/10/82/44/171108244.db2.gz GEUKFVVODIPWEI-KGLIPLIRSA-N 1 0 240.391 1.874 10 0 BDAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccccn1 ZINC000036325772 171108829 /nfs/dbraw/zinc/10/88/29/171108829.db2.gz PJAPWHLYLAPJFH-YPMHNXCESA-N 1 0 235.331 1.192 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1C(=O)C(C)(C)[NH2+]C ZINC000061300500 171109746 /nfs/dbraw/zinc/10/97/46/171109746.db2.gz DJPGLGPWHCQYIB-NXEZZACHSA-N 1 0 228.336 1.010 10 0 BDAERO CC[C@@](C)(CN)[N@@H+]1CCCSCC1 ZINC000042443580 171167543 /nfs/dbraw/zinc/16/75/43/171167543.db2.gz YMVNSXWWLMTMMR-JTQLQIEISA-N 1 0 202.367 1.553 10 0 BDAERO CC[C@@](C)([NH2+]C[C@H]1CCC(F)(F)C1)C(N)=O ZINC000304531762 171176002 /nfs/dbraw/zinc/17/60/02/171176002.db2.gz GZAFXBYHEIHDRN-WCBMZHEXSA-N 1 0 234.290 1.665 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000339750734 171179078 /nfs/dbraw/zinc/17/90/78/171179078.db2.gz BZPOOPXNYOPBNP-NWDGAFQWSA-N 1 0 215.337 1.242 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCN(C2CCC2)CC1 ZINC000336887733 171179121 /nfs/dbraw/zinc/17/91/21/171179121.db2.gz DMIJCQKSXULNHX-CYBMUJFWSA-N 1 0 226.364 1.318 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000336235962 171180120 /nfs/dbraw/zinc/18/01/20/171180120.db2.gz BEILJAFDTXAWJI-WCQYABFASA-N 1 0 229.364 1.630 10 0 BDAERO CC[C@@]1(C(=O)NC[C@H](C)COC)CCC[NH2+]C1 ZINC000062860543 171196361 /nfs/dbraw/zinc/19/63/61/171196361.db2.gz DIBLWZFAQGNGBY-WCQYABFASA-N 1 0 242.363 1.165 10 0 BDAERO CC[C@@]1(c2ccc(OC)cc2)C[C@@]1(C[NH3+])CO ZINC000070553607 171216643 /nfs/dbraw/zinc/21/66/43/171216643.db2.gz OWSGUVOKJQKBAH-KGLIPLIRSA-N 1 0 235.327 1.684 10 0 BDAERO CC[C@@]1(c2ccc(OC)cc2)C[C@]1(C[NH3+])CO ZINC000070553609 171217164 /nfs/dbraw/zinc/21/71/64/171217164.db2.gz OWSGUVOKJQKBAH-KBPBESRZSA-N 1 0 235.327 1.684 10 0 BDAERO CC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000061679212 171242692 /nfs/dbraw/zinc/24/26/92/171242692.db2.gz HLTXPSAFVOVOHR-HBNTYKKESA-N 1 0 212.337 1.761 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000120441156 171281600 /nfs/dbraw/zinc/28/16/00/171281600.db2.gz BUCFGTLFHHNJSQ-YNEHKIRRSA-N 1 0 228.380 1.419 10 0 BDAERO CC[C@H](C)[N@H+](C)[C@]1(CN)CN2CCC1CC2 ZINC000037109817 171309165 /nfs/dbraw/zinc/30/91/65/171309165.db2.gz XGSZBKPGQUEYLA-WCQYABFASA-N 1 0 225.380 1.140 10 0 BDAERO CC[C@H](C)N(CCOC)c1ccnc(N)n1 ZINC000087824390 171315086 /nfs/dbraw/zinc/31/50/86/171315086.db2.gz CQGRKAAWQZWGDV-VIFPVBQESA-N 1 0 224.308 1.310 10 0 BDAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1ccco1 ZINC000076611739 171327275 /nfs/dbraw/zinc/32/72/75/171327275.db2.gz RBKXIKTVQFXDAQ-UWVGGRQHSA-N 1 0 224.304 1.627 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCOCC1(C)C ZINC000042463026 171339827 /nfs/dbraw/zinc/33/98/27/171339827.db2.gz ZGMSOSRMXCSNTN-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccoc1 ZINC000163192503 171371313 /nfs/dbraw/zinc/37/13/13/171371313.db2.gz OKLASHPLMSIORS-WCBMZHEXSA-N 1 0 210.277 1.269 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nccs1 ZINC000019487215 171372207 /nfs/dbraw/zinc/37/22/07/171372207.db2.gz FIJPRORIPKQYTL-NKWVEPMBSA-N 1 0 213.306 1.455 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1nnc2cnccn21 ZINC000035452457 171372530 /nfs/dbraw/zinc/37/25/30/171372530.db2.gz CQGSULYGXALKDG-IONNQARKSA-N 1 0 205.265 1.170 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C)no1 ZINC000077558571 171372835 /nfs/dbraw/zinc/37/28/35/171372835.db2.gz FGKXAGXQFZTSOZ-IMTBSYHQSA-N 1 0 211.265 1.295 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)CC ZINC000037110287 171393037 /nfs/dbraw/zinc/39/30/37/171393037.db2.gz PRZUBFJCHUJKSK-GUBZILKMSA-N 1 0 200.326 1.617 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CN1CCOC(C)(C)C1 ZINC000036232699 171397027 /nfs/dbraw/zinc/39/70/27/171397027.db2.gz NPLJBTRORFUSPC-WDEREUQCSA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@H](C)c1noc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000104213370 171415387 /nfs/dbraw/zinc/41/53/87/171415387.db2.gz IVCLBXVSCWUGRW-VHSXEESVSA-N 1 0 238.335 1.549 10 0 BDAERO CC[C@H](C1CCCCC1)N1CC[C@H]([NH3+])C1=O ZINC000052340536 171418358 /nfs/dbraw/zinc/41/83/58/171418358.db2.gz RGDICBCSHDQKRU-NWDGAFQWSA-N 1 0 224.348 1.905 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000662351015 412119944 /nfs/dbraw/zinc/11/99/44/412119944.db2.gz KLPDVGNUPXNPSZ-VXGBXAGGSA-N 1 0 248.326 1.624 10 0 BDAERO C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1cscn1 ZINC000665241086 412182866 /nfs/dbraw/zinc/18/28/66/412182866.db2.gz ZMMWVXRLZZCNNO-GUBZILKMSA-N 1 0 225.361 1.792 10 0 BDAERO C[C@@H](N[C@@H](C)c1cscn1)[C@H]1CC[NH2+]C1 ZINC000665241089 412183060 /nfs/dbraw/zinc/18/30/60/412183060.db2.gz ZMMWVXRLZZCNNO-UTLUCORTSA-N 1 0 225.361 1.792 10 0 BDAERO CC[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000662467340 412185041 /nfs/dbraw/zinc/18/50/41/412185041.db2.gz UIKSTKGECXDJFM-JHJVBQTASA-N 1 0 232.327 1.991 10 0 BDAERO CC[C@@H](NC(=O)[C@H](CC)[NH2+]C)C(C)C ZINC000662409040 412154712 /nfs/dbraw/zinc/15/47/12/412154712.db2.gz DTXKFZKCFDHYOQ-ZJUUUORDSA-N 1 0 200.326 1.535 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1Nc1nc(Cl)cs1 ZINC000575550808 412155094 /nfs/dbraw/zinc/15/50/94/412155094.db2.gz WETRDUVYVSALTH-WDSKDSINSA-N 1 0 217.725 1.959 10 0 BDAERO [NH3+]C[C@H]1CCCN1C(=O)C1CCC2(CC2)CC1 ZINC000662425355 412165522 /nfs/dbraw/zinc/16/55/22/412165522.db2.gz GABGOQMVZLSCBQ-GFCCVEGCSA-N 1 0 236.359 1.907 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662647789 412255134 /nfs/dbraw/zinc/25/51/34/412255134.db2.gz ROZGPDPJLIDXBY-GHMZBOCLSA-N 1 0 236.359 1.953 10 0 BDAERO CC[C@H](O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106386948 171566402 /nfs/dbraw/zinc/56/64/02/171566402.db2.gz NODPYEBRGFPZAM-ZDUSSCGKSA-N 1 0 237.347 1.366 10 0 BDAERO CC(C)(F)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000662662857 412262558 /nfs/dbraw/zinc/26/25/58/412262558.db2.gz JTFBURRRQPOFQY-GFCCVEGCSA-N 1 0 230.327 1.773 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@]1(C)CC1(F)F ZINC000662665587 412264803 /nfs/dbraw/zinc/26/48/03/412264803.db2.gz KDQJYNLHVQRQJT-APPZFPTMSA-N 1 0 220.263 1.275 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@@H](CCF)C1 ZINC000662689692 412272194 /nfs/dbraw/zinc/27/21/94/412272194.db2.gz WAXTXFXBJAKFIJ-RYUDHWBXSA-N 1 0 242.338 1.584 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cscn1 ZINC000662634020 412250040 /nfs/dbraw/zinc/25/00/40/412250040.db2.gz CNGHDOVCDIOLKV-YUMQZZPRSA-N 1 0 227.333 1.448 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC(C2CCC2)CC1 ZINC000662631345 412250277 /nfs/dbraw/zinc/25/02/77/412250277.db2.gz RTOUUXUERZBSCA-SNVBAGLBSA-N 1 0 224.348 1.633 10 0 BDAERO CC[C@H]1CN(C(=O)C2C[C@H]3C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000134114766 171649826 /nfs/dbraw/zinc/64/98/26/171649826.db2.gz MJNVPTVXDYRQSW-UVYIHGJDSA-N 1 0 236.359 1.618 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1cscn1 ZINC000662636873 412252165 /nfs/dbraw/zinc/25/21/65/412252165.db2.gz SPXUJQLXSMARRN-RKDXNWHRSA-N 1 0 241.360 1.694 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cscn1 ZINC000662636866 412252566 /nfs/dbraw/zinc/25/25/66/412252566.db2.gz SPXUJQLXSMARRN-BDAKNGLRSA-N 1 0 241.360 1.694 10 0 BDAERO CC[C@H]1CN(Cc2cccnc2)CC[NH2+]1 ZINC000082925159 171662226 /nfs/dbraw/zinc/66/22/26/171662226.db2.gz HJGBGYDDDFRATM-LBPRGKRZSA-N 1 0 205.305 1.265 10 0 BDAERO CC[C@H]1C[NH2+]CCN1Cc1ccc2c(c1)OCO2 ZINC000083378812 171668883 /nfs/dbraw/zinc/66/88/83/171668883.db2.gz GZVJTDTZZJPPBJ-LBPRGKRZSA-N 1 0 248.326 1.599 10 0 BDAERO COCC1(N(C)C(=O)C2CCC([NH3+])CC2)CC1 ZINC000662849030 412321673 /nfs/dbraw/zinc/32/16/73/412321673.db2.gz DZHCFGUARFCTIE-UHFFFAOYSA-N 1 0 240.347 1.141 10 0 BDAERO CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662855487 412325459 /nfs/dbraw/zinc/32/54/59/412325459.db2.gz VERMNHGZIMBQOK-GHMZBOCLSA-N 1 0 242.363 1.163 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC2CC3(CCC3)C2)C1 ZINC000662908256 412342230 /nfs/dbraw/zinc/34/22/30/412342230.db2.gz HQFCQNXRJPWWIF-WDEREUQCSA-N 1 0 236.359 1.953 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NC2CC3(CCC3)C2)C1 ZINC000662909480 412342569 /nfs/dbraw/zinc/34/25/69/412342569.db2.gz MOOCTOWHIQMDGF-UWVGGRQHSA-N 1 0 222.332 1.563 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CN(c2nc3ccccc3[nH]2)CCO1 ZINC000132887889 412344042 /nfs/dbraw/zinc/34/40/42/412344042.db2.gz ZALPXQFBOCFGQK-BXKDBHETSA-N 1 0 246.314 1.115 10 0 BDAERO CCCOc1nccnc1N[C@@H]1CC[NH2+]C1 ZINC000630509365 412360140 /nfs/dbraw/zinc/36/01/40/412360140.db2.gz XFSJKKDMBYHDGH-SECBINFHSA-N 1 0 222.292 1.039 10 0 BDAERO CCC[C@H](C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662975585 412361472 /nfs/dbraw/zinc/36/14/72/412361472.db2.gz IWKCZKZZKXZYNT-YUMQZZPRSA-N 1 0 240.269 1.771 10 0 BDAERO CN(C(=O)c1ccccn1)[C@@H](C[NH3+])C(F)(F)F ZINC000662980467 412362520 /nfs/dbraw/zinc/36/25/20/412362520.db2.gz IBPLDYWAOWEPKL-QMMMGPOBSA-N 1 0 247.220 1.043 10 0 BDAERO CCCc1nccnc1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000663270218 412403654 /nfs/dbraw/zinc/40/36/54/412403654.db2.gz IJHQUEAJJUIIKL-MNOVXSKESA-N 1 0 234.347 1.603 10 0 BDAERO CCCc1nccnc1N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000663271213 412403762 /nfs/dbraw/zinc/40/37/62/412403762.db2.gz ZKDOWTBQTWQGKQ-NEPJUHHUSA-N 1 0 248.374 1.993 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000663270217 412403833 /nfs/dbraw/zinc/40/38/33/412403833.db2.gz IJHQUEAJJUIIKL-GHMZBOCLSA-N 1 0 234.347 1.603 10 0 BDAERO CCCc1nccnc1N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000663273504 412404742 /nfs/dbraw/zinc/40/47/42/412404742.db2.gz GNTQZFGUQXDKQA-BXUZGUMPSA-N 1 0 248.374 1.850 10 0 BDAERO CCCc1nccnc1N[C@@H](C)CCC[NH3+] ZINC000663275299 412405224 /nfs/dbraw/zinc/40/52/24/412405224.db2.gz VPZIUVJMHQRAPJ-JTQLQIEISA-N 1 0 222.336 1.968 10 0 BDAERO CCc1ccc(C[C@H](O)C[NH2+]C2CC2)cc1 ZINC000071521614 171814658 /nfs/dbraw/zinc/81/46/58/171814658.db2.gz HNIKQACUZKZNKK-AWEZNQCLSA-N 1 0 219.328 1.904 10 0 BDAERO CCc1ccc(OC)c(C[NH2+][C@H](C)CO)c1 ZINC000098124828 171825039 /nfs/dbraw/zinc/82/50/39/171825039.db2.gz OAHDLARBUQMNAI-SNVBAGLBSA-N 1 0 223.316 1.728 10 0 BDAERO CCc1ccc([C@@H](CC[NH3+])C(=O)NC2CC2)cc1 ZINC000076631530 171833555 /nfs/dbraw/zinc/83/35/55/171833555.db2.gz IYSMFLQJNMMWHA-CQSZACIVSA-N 1 0 246.354 1.960 10 0 BDAERO CCc1ccc([C@]2(C)OC[C@@H](C[NH3+])O2)cc1 ZINC000049818432 171846165 /nfs/dbraw/zinc/84/61/65/171846165.db2.gz OLRXMLCMGXRGKE-CHWSQXEVSA-N 1 0 221.300 1.796 10 0 BDAERO CCc1csc(OC[C@H]2CC[NH2+]C2)n1 ZINC000061895109 171933976 /nfs/dbraw/zinc/93/39/76/171933976.db2.gz JGJJSALESAJIIK-QMMMGPOBSA-N 1 0 212.318 1.694 10 0 BDAERO CCc1[nH+]c2cc(N)ccc2n1CCC(N)=O ZINC000052852862 172009895 /nfs/dbraw/zinc/00/98/95/172009895.db2.gz KFXDWMGXOKOAKN-UHFFFAOYSA-N 1 0 232.287 1.056 10 0 BDAERO CCc1nnc(CN2CCC(C[NH2+]C)CC2)o1 ZINC000063166141 172048104 /nfs/dbraw/zinc/04/81/04/172048104.db2.gz ZOAHGYDOEXSPAN-UHFFFAOYSA-N 1 0 238.335 1.063 10 0 BDAERO CCc1nnc(CN2CC[C@@H](CC)C2)n1C ZINC000125567937 172051262 /nfs/dbraw/zinc/05/12/62/172051262.db2.gz SSBOEQHIRSVJID-SNVBAGLBSA-N 1 0 222.336 1.609 10 0 BDAERO CCc1nnc(C[NH2+][C@@H]2CSC[C@@H]2C)n1C ZINC000309938667 172053064 /nfs/dbraw/zinc/05/30/64/172053064.db2.gz AYAUTQHCDWVRQH-DTWKUNHWSA-N 1 0 240.376 1.219 10 0 BDAERO CCc1nnc(COc2cccc(CC[NH3+])c2)o1 ZINC000037721274 172055682 /nfs/dbraw/zinc/05/56/82/172055682.db2.gz QMSTZAOYSQRNAK-UHFFFAOYSA-N 1 0 247.298 1.712 10 0 BDAERO CCc1nsc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000250274997 172104029 /nfs/dbraw/zinc/10/40/29/172104029.db2.gz WVAIWGPZXGFZIA-RKDXNWHRSA-N 1 0 240.376 1.664 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@H]1CSC[C@@H]1C ZINC000309944998 172140749 /nfs/dbraw/zinc/14/07/49/172140749.db2.gz CZGGSWGTLQFEEA-WPRPVWTQSA-N 1 0 240.376 1.448 10 0 BDAERO CCn1cc(CC2(C[NH3+])CCOCC2)cn1 ZINC000061673961 172158715 /nfs/dbraw/zinc/15/87/15/172158715.db2.gz PQDNWMBKAPXHBL-UHFFFAOYSA-N 1 0 223.320 1.201 10 0 BDAERO CCn1cc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)cn1 ZINC000295051347 172164269 /nfs/dbraw/zinc/16/42/69/172164269.db2.gz PPBBAUYNTHYPKG-JQWIXIFHSA-N 1 0 223.320 1.248 10 0 BDAERO CCn1cc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000051360264 172164437 /nfs/dbraw/zinc/16/44/37/172164437.db2.gz AKNVFSIYJUALNZ-UONOGXRCSA-N 1 0 248.374 1.619 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000227561162 172207719 /nfs/dbraw/zinc/20/77/19/172207719.db2.gz AFHIZOVTHHCKEA-YPMHNXCESA-N 1 0 222.332 1.759 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)CN(C)C ZINC000130189387 172209045 /nfs/dbraw/zinc/20/90/45/172209045.db2.gz ZMJSBALYGSMGNO-NSHDSACASA-N 1 0 209.337 1.548 10 0 BDAERO CCn1ccnc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000054743909 172220011 /nfs/dbraw/zinc/22/00/11/172220011.db2.gz WLQWQTUXXAFLEI-GFCCVEGCSA-N 1 0 237.347 1.640 10 0 BDAERO CCn1ccnc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000051923444 172224655 /nfs/dbraw/zinc/22/46/55/172224655.db2.gz ZZMVKNALVXGWLF-MNOVXSKESA-N 1 0 223.320 1.296 10 0 BDAERO CCn1ccnc1[C@H]([NH3+])c1cccc(OC)c1 ZINC000011735712 172229508 /nfs/dbraw/zinc/22/95/08/172229508.db2.gz LSEQOGCHRCMJQH-GFCCVEGCSA-N 1 0 231.299 1.960 10 0 BDAERO CCn1ccnc1[C@H]([NH3+])C1CCOCC1 ZINC000083719388 172229640 /nfs/dbraw/zinc/22/96/40/172229640.db2.gz SCXKMOCMBYWNMM-SNVBAGLBSA-N 1 0 209.293 1.329 10 0 BDAERO CCn1cnnc1CC[C@H]1CCC[NH2+]C1 ZINC000054497668 172234698 /nfs/dbraw/zinc/23/46/98/172234698.db2.gz BREDSGAMMKLITO-SNVBAGLBSA-N 1 0 208.309 1.230 10 0 BDAERO CCn1cnnc1CC[C@@H]1CCCC[NH2+]1 ZINC000054497744 172235095 /nfs/dbraw/zinc/23/50/95/172235095.db2.gz CGNQDBRAAALBQH-JTQLQIEISA-N 1 0 208.309 1.373 10 0 BDAERO CCn1cnnc1CC[C@H]1CCCC[NH2+]1 ZINC000054497745 172235752 /nfs/dbraw/zinc/23/57/52/172235752.db2.gz CGNQDBRAAALBQH-SNVBAGLBSA-N 1 0 208.309 1.373 10 0 BDAERO CCn1cnnc1[C@@]1([NH3+])CCC[C@H](C)C1 ZINC000054497766 172239557 /nfs/dbraw/zinc/23/95/57/172239557.db2.gz NJKUEBYKWQCVOD-GXSJLCMTSA-N 1 0 208.309 1.662 10 0 BDAERO CN(C(=O)[C@H]1CCCCO1)c1ccc(C[NH3+])cc1 ZINC000050958406 172332677 /nfs/dbraw/zinc/33/26/77/172332677.db2.gz ZQICOZHKYWSMAR-CYBMUJFWSA-N 1 0 248.326 1.677 10 0 BDAERO CN(C(=O)c1cccc(C[NH3+])c1)c1ccccn1 ZINC000019812157 172340872 /nfs/dbraw/zinc/34/08/72/172340872.db2.gz DNMKCHQABDWLLF-UHFFFAOYSA-N 1 0 241.294 1.817 10 0 BDAERO CN(C(=O)c1cccc2cccnc21)C1C[NH2+]C1 ZINC000090289660 172342451 /nfs/dbraw/zinc/34/24/51/172342451.db2.gz UOWQTFBAKFVGHB-UHFFFAOYSA-N 1 0 241.294 1.279 10 0 BDAERO CN(C(=O)c1cccnc1)c1ccc(C[NH3+])cc1 ZINC000020224989 172343131 /nfs/dbraw/zinc/34/31/31/172343131.db2.gz IQTQLELYVODCFU-UHFFFAOYSA-N 1 0 241.294 1.817 10 0 BDAERO CN(C(=O)c1coc2ccccc12)C1C[NH2+]C1 ZINC000090289668 172347812 /nfs/dbraw/zinc/34/78/12/172347812.db2.gz WYXSUUJFQFKDBZ-UHFFFAOYSA-N 1 0 230.267 1.477 10 0 BDAERO CN(C)C(=O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162149 172370231 /nfs/dbraw/zinc/37/02/31/172370231.db2.gz CXGRSZNAHVXBTG-UHFFFAOYSA-N 1 0 236.359 1.489 10 0 BDAERO CN(C)C(=O)C[NH2+][C@H]1CCCc2sccc21 ZINC000061325649 172371854 /nfs/dbraw/zinc/37/18/54/172371854.db2.gz MXASFUPGVGOGGH-JTQLQIEISA-N 1 0 238.356 1.803 10 0 BDAERO CN(C)C(=O)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000033426534 172377643 /nfs/dbraw/zinc/37/76/43/172377643.db2.gz MHESWLCWELFXLD-GFCCVEGCSA-N 1 0 225.336 1.134 10 0 BDAERO C[NH+](C)CCCNc1ccc(C(N)=O)cc1 ZINC000041570650 172443283 /nfs/dbraw/zinc/44/32/83/172443283.db2.gz YDXHBBGJVRGHCS-UHFFFAOYSA-N 1 0 221.304 1.149 10 0 BDAERO C[NH+](C)CCCNc1nncc2ccccc21 ZINC000035121046 172443926 /nfs/dbraw/zinc/44/39/26/172443926.db2.gz SSYVBQBPVDZETK-UHFFFAOYSA-N 1 0 230.315 1.993 10 0 BDAERO CN(C)CC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000032100871 172464971 /nfs/dbraw/zinc/46/49/71/172464971.db2.gz PKHYRZIYHZJJTF-GFCCVEGCSA-N 1 0 242.750 1.525 10 0 BDAERO CN(C)[C@@H](C[NH2+]CC1CC1)c1ccco1 ZINC000036882423 172521380 /nfs/dbraw/zinc/52/13/80/172521380.db2.gz UPQAOTRHQIXJMD-NSHDSACASA-N 1 0 208.305 1.882 10 0 BDAERO CN(CC1CCCCC1)C(=O)n1cc[n+](C)c1 ZINC000042494064 172660802 /nfs/dbraw/zinc/66/08/02/172660802.db2.gz QKMACTFPQYRLRV-UHFFFAOYSA-N 1 0 236.339 1.793 10 0 BDAERO Cn1ccc(NCC2CC[NH+](C)CC2)n1 ZINC000054242779 172986427 /nfs/dbraw/zinc/98/64/27/172986427.db2.gz BRPKRUSCMBKIMY-UHFFFAOYSA-N 1 0 208.309 1.174 10 0 BDAERO C[NH+]1CCC(n2c(=S)[nH]c3cccnc32)CC1 ZINC000075953867 173002344 /nfs/dbraw/zinc/00/23/44/173002344.db2.gz HAAXVVLHBNDFOA-UHFFFAOYSA-N 1 0 248.355 1.987 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CC[NH+](CC(=O)[O-])C1CC1 ZINC000037598274 173003851 /nfs/dbraw/zinc/00/38/51/173003851.db2.gz GUHLHVVLFDSRBR-LLVKDONJSA-N 1 0 240.347 1.410 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]Cc1cncnc1 ZINC000054768160 173004543 /nfs/dbraw/zinc/00/45/43/173004543.db2.gz CAPIJADJCOGNOW-GFCCVEGCSA-N 1 0 220.320 1.051 10 0 BDAERO CN1CCCC[C@H]1c1nnc(CCC[NH3+])o1 ZINC000095828884 173009422 /nfs/dbraw/zinc/00/94/22/173009422.db2.gz UBJYQLMNAJPRLL-VIFPVBQESA-N 1 0 224.308 1.118 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2N)C1 ZINC000040715735 173020364 /nfs/dbraw/zinc/02/03/64/173020364.db2.gz SWNZMXPDOHGZBT-SNVBAGLBSA-N 1 0 223.295 1.914 10 0 BDAERO CN(c1ccc(N)cn1)[C@H]1CCC[N@H+](C)C1 ZINC000053205884 173044686 /nfs/dbraw/zinc/04/46/86/173044686.db2.gz KMDAHKCZTLTKPX-NSHDSACASA-N 1 0 220.320 1.194 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ccnc(Cl)n2)C1 ZINC000051849653 173046324 /nfs/dbraw/zinc/04/63/24/173046324.db2.gz IURSNVRUEJOQGB-QMMMGPOBSA-N 1 0 226.711 1.636 10 0 BDAERO CN1CCC[C@]([NH3+])(c2cccc(F)c2)C1 ZINC000084387309 173061242 /nfs/dbraw/zinc/06/12/42/173061242.db2.gz SLWOCFLMQQMZMM-GFCCVEGCSA-N 1 0 208.280 1.705 10 0 BDAERO CN1CC[NH+](C[C@@H]2CNc3ccccc32)CC1 ZINC000083074422 173084918 /nfs/dbraw/zinc/08/49/18/173084918.db2.gz WXOBYPPZWBRKLB-LBPRGKRZSA-N 1 0 231.343 1.443 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2cc(N)cc(F)c2)C1 ZINC000037668095 173117595 /nfs/dbraw/zinc/11/75/95/173117595.db2.gz PHWFKBXPUSWTHW-VIFPVBQESA-N 1 0 223.295 1.772 10 0 BDAERO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccccc2N)C1 ZINC000042550076 173122034 /nfs/dbraw/zinc/12/20/34/173122034.db2.gz BKORHAPVIPYBLF-GFCCVEGCSA-N 1 0 247.342 1.022 10 0 BDAERO C[N@@H+]1CC[C@]2(C1)Cc1ccccc1NC2=O ZINC000096091993 173140737 /nfs/dbraw/zinc/14/07/37/173140737.db2.gz PYTPBVNDYPHIKU-CYBMUJFWSA-N 1 0 216.284 1.503 10 0 BDAERO CN(Cc1cccn1C)C[C@H]1CC[N@H+](C)C1 ZINC000162272488 173142998 /nfs/dbraw/zinc/14/29/98/173142998.db2.gz NWRUFFSISYQZRQ-LBPRGKRZSA-N 1 0 221.348 1.409 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccco1 ZINC000112826861 173143110 /nfs/dbraw/zinc/14/31/10/173143110.db2.gz RYEVJTCOXHXWRR-JTQLQIEISA-N 1 0 222.288 1.303 10 0 BDAERO C[N@@H+]1CC[C@H](NCc2nccn2C(F)F)C1 ZINC000042547291 173155281 /nfs/dbraw/zinc/15/52/81/173155281.db2.gz NZMCNPUSQUIBTB-QMMMGPOBSA-N 1 0 230.262 1.072 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2cccnc2N2CCCC2)C1 ZINC000061985051 173155692 /nfs/dbraw/zinc/15/56/92/173155692.db2.gz GYGCKLRSPKJLSE-LBPRGKRZSA-N 1 0 246.358 1.798 10 0 BDAERO C[N@@H+]1CC[C@]2(CCN(c3cccnc3)C2)C1 ZINC000090504968 173168411 /nfs/dbraw/zinc/16/84/11/173168411.db2.gz ALQBQIXPAIIETO-ZDUSSCGKSA-N 1 0 217.316 1.614 10 0 BDAERO CN1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)CC1=O ZINC000309979570 173195152 /nfs/dbraw/zinc/19/51/52/173195152.db2.gz VNTLDRDDPQBEHR-GMTAPVOTSA-N 1 0 228.311 1.335 10 0 BDAERO C[N@@H+]1C[C@](C)(O)[C@H](O)C[C@@H]1c1ccccc1 ZINC000255967474 173200372 /nfs/dbraw/zinc/20/03/72/173200372.db2.gz CPDAVIZHKGVASM-UPJWGTAASA-N 1 0 221.300 1.175 10 0 BDAERO CN1c2ccccc2C[C@@H]1C1=[NH+]CCN1 ZINC000029333622 173208066 /nfs/dbraw/zinc/20/80/66/173208066.db2.gz IDOHPYFJXXCMEX-LLVKDONJSA-N 1 0 201.273 1.049 10 0 BDAERO CNC(=O)C[N@H+](C)[C@H](C)c1ccc(N)cc1 ZINC000040908815 173270897 /nfs/dbraw/zinc/27/08/97/173270897.db2.gz JNKANCRXSSOMHL-SECBINFHSA-N 1 0 221.304 1.008 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000042561593 173295813 /nfs/dbraw/zinc/29/58/13/173295813.db2.gz HRKJAZOEOOGZHT-KCJUWKMLSA-N 1 0 234.299 1.104 10 0 BDAERO CNC(=O)[C@H](C)[N@H+](Cc1cccc(N)c1)C(C)C ZINC000035064897 173301969 /nfs/dbraw/zinc/30/19/69/173301969.db2.gz VRCBTIILERXHDZ-NSHDSACASA-N 1 0 249.358 1.614 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1Cl ZINC000042303029 173304332 /nfs/dbraw/zinc/30/43/32/173304332.db2.gz OHYLCCCVXZFBPH-ZETCQYMHSA-N 1 0 242.706 1.312 10 0 BDAERO CNC(=O)[C@H](C)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000041721739 173304461 /nfs/dbraw/zinc/30/44/61/173304461.db2.gz PZSAXKJEEDCFPH-WPRPVWTQSA-N 1 0 221.304 1.131 10 0 BDAERO CNC(=O)[C@H](CCC[NH3+])c1cccc(OC)c1 ZINC000076619114 173304876 /nfs/dbraw/zinc/30/48/76/173304876.db2.gz HKVZUZXZLHLSHT-GFCCVEGCSA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)c1cccc(NC2CC[NH+](C)CC2)c1 ZINC000020124566 173311771 /nfs/dbraw/zinc/31/17/71/173311771.db2.gz XGNCLISEBXYLON-UHFFFAOYSA-N 1 0 247.342 1.552 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000061317154 173317861 /nfs/dbraw/zinc/31/78/61/173317861.db2.gz UOEOYQYEKJQPHZ-VIFPVBQESA-N 1 0 214.353 1.877 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccccc1 ZINC000061300157 173317359 /nfs/dbraw/zinc/31/73/59/173317359.db2.gz LWBBKRRAQSVWTB-UHFFFAOYSA-N 1 0 220.316 1.643 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1cnc(C)s1 ZINC000061317426 173317673 /nfs/dbraw/zinc/31/76/73/173317673.db2.gz MRPZEQAZLYCIMW-UHFFFAOYSA-N 1 0 241.360 1.408 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@]1(CO)CCC[C@@H](C)C1 ZINC000061319320 173318215 /nfs/dbraw/zinc/31/82/15/173318215.db2.gz SVEDIWRZKUDTAC-MFKMUULPSA-N 1 0 242.363 1.042 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC1CCC(C)CC1 ZINC000061300247 173318267 /nfs/dbraw/zinc/31/82/67/173318267.db2.gz QRFQJYCSQNTLMY-UHFFFAOYSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1cnc(C)s1 ZINC000061318753 173318345 /nfs/dbraw/zinc/31/83/45/173318345.db2.gz HVNQPJWTXJUGIL-UHFFFAOYSA-N 1 0 227.333 1.066 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccccc1 ZINC000061300066 173318528 /nfs/dbraw/zinc/31/85/28/173318528.db2.gz UMCRFFOGSWWCMF-UHFFFAOYSA-N 1 0 206.289 1.301 10 0 BDAERO C[NH2+]C(C)(C)CN1CCCO[C@H](C)C1 ZINC000061934317 173319719 /nfs/dbraw/zinc/31/97/19/173319719.db2.gz AQHCDICTNAJHGN-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO C[NH2+]C(C)(C)c1nnc2n1CCCCC2 ZINC000061151280 173320676 /nfs/dbraw/zinc/32/06/76/173320676.db2.gz VSJACRHZHPUWLC-UHFFFAOYSA-N 1 0 208.309 1.459 10 0 BDAERO C[NH2+]C1CCN(Cc2nccnc2Cl)CC1 ZINC000095071580 173322829 /nfs/dbraw/zinc/32/28/29/173322829.db2.gz QPGHQVRSPVXLQN-UHFFFAOYSA-N 1 0 240.738 1.314 10 0 BDAERO C[NH2+]C1Cc2cc(OC)c(OC)cc2C1 ZINC000029232645 173324003 /nfs/dbraw/zinc/32/40/03/173324003.db2.gz QQCVBHPIVJRYKQ-UHFFFAOYSA-N 1 0 207.273 1.390 10 0 BDAERO C[NH2+]CC(=O)N(C)[C@H](C)c1ccc(C)s1 ZINC000037822002 173325002 /nfs/dbraw/zinc/32/50/02/173325002.db2.gz PEMFHWQFFFXEEJ-SECBINFHSA-N 1 0 226.345 1.795 10 0 BDAERO C[NH2+]CC(=O)NCCCc1ccc2ncoc2c1 ZINC000077416756 173328670 /nfs/dbraw/zinc/32/86/70/173328670.db2.gz SOUIZBWGPABLRN-UHFFFAOYSA-N 1 0 247.298 1.096 10 0 BDAERO C[NH2+]CC(=O)NCCN(C)c1ccc(C)c(C)c1 ZINC000077429262 173329254 /nfs/dbraw/zinc/32/92/54/173329254.db2.gz OXDAVDSOCQGMSB-UHFFFAOYSA-N 1 0 249.358 1.075 10 0 BDAERO C[NH2+]CC(=O)NCCc1cc(C(C)C)ccc1C ZINC000077424686 173329679 /nfs/dbraw/zinc/32/96/79/173329679.db2.gz DMHXMCZPASDDNW-UHFFFAOYSA-N 1 0 248.370 1.997 10 0 BDAERO C[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000035052184 173333616 /nfs/dbraw/zinc/33/36/16/173333616.db2.gz WJOKWXPNZQHTDU-UHFFFAOYSA-N 1 0 242.662 1.227 10 0 BDAERO C[NH2+]CCC(=O)c1ccc2c(c1)OCO2 ZINC000033899064 173342753 /nfs/dbraw/zinc/34/27/53/173342753.db2.gz MNMSIKOLAUVHTO-UHFFFAOYSA-N 1 0 207.229 1.208 10 0 BDAERO C[NH2+]CCCC(=O)N[C@@]1(CO)CCC[C@H](C)C1 ZINC000053128110 173344809 /nfs/dbraw/zinc/34/48/09/173344809.db2.gz OVVMCXJNWWHMSH-AAEUAGOBSA-N 1 0 242.363 1.043 10 0 BDAERO C[NH2+]CCCNCc1ccc(Br)o1 ZINC000083376233 173348918 /nfs/dbraw/zinc/34/89/18/173348918.db2.gz OFJYNNBFCACJTD-UHFFFAOYSA-N 1 0 247.136 1.741 10 0 BDAERO C[NH2+]CCCc1nnc(-c2ccc(C)nc2C)o1 ZINC000055331758 173350963 /nfs/dbraw/zinc/35/09/63/173350963.db2.gz YADZZLFUBUCWQO-UHFFFAOYSA-N 1 0 246.314 1.900 10 0 BDAERO C[NH2+]CCN(C)C(=O)C[C@H](C)C(C)C ZINC000237290743 173351165 /nfs/dbraw/zinc/35/11/65/173351165.db2.gz KAMOZSGUXPGADR-JTQLQIEISA-N 1 0 200.326 1.346 10 0 BDAERO C[NH2+]CCN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000120284809 173352089 /nfs/dbraw/zinc/35/20/89/173352089.db2.gz JWQIBTFQUBTBLF-ZIAGYGMSSA-N 1 0 246.354 1.776 10 0 BDAERO C[NH2+]CCN1C(=O)C(=O)c2cccc(Cl)c21 ZINC000042410634 173354208 /nfs/dbraw/zinc/35/42/08/173354208.db2.gz OTSCBLXJCWFINX-UHFFFAOYSA-N 1 0 238.674 1.089 10 0 BDAERO C[NH2+]CCNc1ccccc1C(=O)OC ZINC000077301769 173356737 /nfs/dbraw/zinc/35/67/37/173356737.db2.gz CEBUFAVCHKQGDW-UHFFFAOYSA-N 1 0 208.261 1.105 10 0 BDAERO C[NH2+]CCOc1nc2ccccc2s1 ZINC000051866816 173357490 /nfs/dbraw/zinc/35/74/90/173357490.db2.gz NLGOWGBNJUCCMU-UHFFFAOYSA-N 1 0 208.286 1.895 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1ccc(Cl)cc1 ZINC000077391701 173358083 /nfs/dbraw/zinc/35/80/83/173358083.db2.gz RMFRQBIYKXXZTC-GFCCVEGCSA-N 1 0 242.750 1.747 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1ccc(F)cc1 ZINC000077340126 173358218 /nfs/dbraw/zinc/35/82/18/173358218.db2.gz WVNNRMXRBCYXNQ-GFCCVEGCSA-N 1 0 226.295 1.232 10 0 BDAERO C[NH2+]CCc1c[nH]c2nc(Cl)ccc12 ZINC000002004783 173359819 /nfs/dbraw/zinc/35/98/19/173359819.db2.gz JJFBKFALHJUHDN-UHFFFAOYSA-N 1 0 209.680 1.978 10 0 BDAERO C[NH2+]C[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000041215928 173364828 /nfs/dbraw/zinc/36/48/28/173364828.db2.gz NFEVWYXDQGSKLO-SECBINFHSA-N 1 0 207.273 1.781 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ncccc1Cl ZINC000051867252 173365198 /nfs/dbraw/zinc/36/51/98/173365198.db2.gz CLJDOCUGGWDPPU-SSDOTTSWSA-N 1 0 200.669 1.722 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000062721120 173365810 /nfs/dbraw/zinc/36/58/10/173365810.db2.gz JKZGZJXITKYTLA-MRVPVSSYSA-N 1 0 205.179 1.357 10 0 BDAERO C[NH2+]C[C@@H](c1ccccc1)N(C)CCCOC ZINC000062036120 173367061 /nfs/dbraw/zinc/36/70/61/173367061.db2.gz GBNIHTJUOMYDCJ-AWEZNQCLSA-N 1 0 236.359 1.915 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C(=O)c2cccn2C(C)C)C1 ZINC000071143272 173369580 /nfs/dbraw/zinc/36/95/80/173369580.db2.gz BZDRPALMHFZZTQ-LBPRGKRZSA-N 1 0 249.358 1.751 10 0 BDAERO C[NH2+]C[C@@](C)(O)Cc1ccc(OC)cc1OC ZINC000019684571 173372495 /nfs/dbraw/zinc/37/24/95/173372495.db2.gz PPGDIVKLOLWPPI-ZDUSSCGKSA-N 1 0 239.315 1.217 10 0 BDAERO C[NH2+]C[C@H](C(C)C)n1nnc2ccccc21 ZINC000052576778 173373119 /nfs/dbraw/zinc/37/31/19/173373119.db2.gz JBUUVMITGBQKAW-GFCCVEGCSA-N 1 0 218.304 1.848 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc2c(c1)OCCCO2 ZINC000036163949 173373164 /nfs/dbraw/zinc/37/31/64/173373164.db2.gz XMCMXEJYKARFEV-CYBMUJFWSA-N 1 0 237.299 1.275 10 0 BDAERO C[NH2+]C[C@H](C(C)C)n1cc(Cl)cn1 ZINC000052577360 173373337 /nfs/dbraw/zinc/37/33/37/173373337.db2.gz FRZVSIGHTPRXEF-SECBINFHSA-N 1 0 201.701 1.953 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(Cl)c(N)c1 ZINC000082534097 173377336 /nfs/dbraw/zinc/37/73/36/173377336.db2.gz DQMGNVUVFXIUHF-VIFPVBQESA-N 1 0 200.669 1.175 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(O)c(Cl)c1 ZINC000082915009 173377530 /nfs/dbraw/zinc/37/75/30/173377530.db2.gz RBIFBDKGKDODRS-VIFPVBQESA-N 1 0 201.653 1.298 10 0 BDAERO C[NH2+]C[C@H](O)c1cccc2c1OCCC2 ZINC000082940282 173377668 /nfs/dbraw/zinc/37/76/68/173377668.db2.gz VKTQCQMBFRPJKD-NSHDSACASA-N 1 0 207.273 1.264 10 0 BDAERO C[NH2+]C[C@H]1CCCN([C@@H]2CCCC2=O)C1 ZINC000050158873 173378660 /nfs/dbraw/zinc/37/86/60/173378660.db2.gz UGRQPHDEBWEZCF-GHMZBOCLSA-N 1 0 210.321 1.039 10 0 BDAERO C[NH2+]C[C@H]1CC[C@H](Cn2nc(C)cc2C)O1 ZINC000052575909 173382850 /nfs/dbraw/zinc/38/28/50/173382850.db2.gz ZOYDLYINZWJCTM-VXGBXAGGSA-N 1 0 223.320 1.267 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccccc1OC(C)C ZINC000032014597 173383090 /nfs/dbraw/zinc/38/30/90/173383090.db2.gz FWTKLUKOVKEIOH-ZDUSSCGKSA-N 1 0 223.316 1.901 10 0 BDAERO C[NH2+]Cc1c(C)nc(C[C@H]2CCCO2)nc1C ZINC000054854043 173383688 /nfs/dbraw/zinc/38/36/88/173383688.db2.gz WVZZIQSUTQQMRL-LLVKDONJSA-N 1 0 235.331 1.534 10 0 BDAERO C[NH2+]C[C@]1(CC2CCOCC2)CCCOC1 ZINC000062193664 173384122 /nfs/dbraw/zinc/38/41/22/173384122.db2.gz IZUBXDJKZVEWGX-CYBMUJFWSA-N 1 0 227.348 1.819 10 0 BDAERO C[NH2+]Cc1c(C)nn(C[C@@H]2CCCO2)c1C ZINC000053338485 173384821 /nfs/dbraw/zinc/38/48/21/173384821.db2.gz HYNSGPNYPZHOJP-NSHDSACASA-N 1 0 223.320 1.398 10 0 BDAERO C[NH2+]Cc1c(C)nn(CCn2ccnc2C)c1C ZINC000049331274 173384848 /nfs/dbraw/zinc/38/48/48/173384848.db2.gz ZCDPFEKZFRNLPP-UHFFFAOYSA-N 1 0 247.346 1.424 10 0 BDAERO C[NH2+]Cc1cc2c(cc1OCC(F)F)OCO2 ZINC000042874387 173386583 /nfs/dbraw/zinc/38/65/83/173386583.db2.gz LQPCZTFZUIEXSK-UHFFFAOYSA-N 1 0 245.225 1.779 10 0 BDAERO C[NH2+]Cc1cc2c(cc1OC(C)C)OCO2 ZINC000042874082 173386865 /nfs/dbraw/zinc/38/68/65/173386865.db2.gz ZVSAOGXNMWFBDB-UHFFFAOYSA-N 1 0 223.272 1.922 10 0 BDAERO C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000035113618 173387420 /nfs/dbraw/zinc/38/74/20/173387420.db2.gz JWMVDRRAQCYEHJ-UHFFFAOYSA-N 1 0 244.088 1.897 10 0 BDAERO C[NH2+]Cc1ccc(-n2nc(C)nc2C)cc1 ZINC000041062869 173388528 /nfs/dbraw/zinc/38/85/28/173388528.db2.gz NEKMPMPMYZRQDV-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1ccc(OCCC(=O)N(C)C)cc1 ZINC000037897604 173389229 /nfs/dbraw/zinc/38/92/29/173389229.db2.gz QDHRVRJYDULZOK-UHFFFAOYSA-N 1 0 236.315 1.263 10 0 BDAERO C[NH2+]Cc1cccc(N2CC[C@H](C)C2)n1 ZINC000051448254 173389716 /nfs/dbraw/zinc/38/97/16/173389716.db2.gz BYKKIZQXDKQEEF-JTQLQIEISA-N 1 0 205.305 1.647 10 0 BDAERO C[NH2+]Cc1ccnc(Cc2cccs2)n1 ZINC000054791135 173391395 /nfs/dbraw/zinc/39/13/95/173391395.db2.gz OHCFOSUAENOTRX-UHFFFAOYSA-N 1 0 219.313 1.848 10 0 BDAERO C[NH2+]Cc1cnc(-n2ccnc2)c(Cl)c1 ZINC000051490124 173392022 /nfs/dbraw/zinc/39/20/22/173392022.db2.gz FKTBTCMFVIUYFG-UHFFFAOYSA-N 1 0 222.679 1.640 10 0 BDAERO C[NH2+]Cc1cnc(N(C)Cc2ccncc2)s1 ZINC000054904334 173392348 /nfs/dbraw/zinc/39/23/48/173392348.db2.gz GMGDVABWMPWCNE-UHFFFAOYSA-N 1 0 248.355 1.894 10 0 BDAERO C[NH2+]Cc1cnn([C@H]2CCCC[C@H]2O)c1C ZINC000054600032 173393026 /nfs/dbraw/zinc/39/30/26/173393026.db2.gz RCBRWZGIRBEIAQ-NWDGAFQWSA-N 1 0 223.320 1.387 10 0 BDAERO C[NH2+]Cc1coc(CN2CCOC[C@@H]2C)c1 ZINC000052475974 173393319 /nfs/dbraw/zinc/39/33/19/173393319.db2.gz VETJOOOHAPHGHG-JTQLQIEISA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+]Cc1nnc(C)n1C1CCCCC1 ZINC000042039360 173397436 /nfs/dbraw/zinc/39/74/36/173397436.db2.gz BVIXYNGKYQIZGL-UHFFFAOYSA-N 1 0 208.309 1.811 10 0 BDAERO C[NH2+]Cc1nnc(-c2c(F)cccc2F)o1 ZINC000050615331 173397762 /nfs/dbraw/zinc/39/77/62/173397762.db2.gz YKYOUYQRPWAJJZ-UHFFFAOYSA-N 1 0 225.198 1.734 10 0 BDAERO C[NH2+]Cc1nccn1CC1CCOCC1 ZINC000052174726 173397870 /nfs/dbraw/zinc/39/78/70/173397870.db2.gz AMFUHGJKCYNDTB-UHFFFAOYSA-N 1 0 209.293 1.029 10 0 BDAERO C[NH2+]Cc1nncn1Cc1ccccc1 ZINC000082531706 173398213 /nfs/dbraw/zinc/39/82/13/173398213.db2.gz CFTVZHVJEMYHJJ-UHFFFAOYSA-N 1 0 202.261 1.046 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc(Cl)cc1 ZINC000054744176 173398772 /nfs/dbraw/zinc/39/87/72/173398772.db2.gz IVSLZZNONOVXSO-UHFFFAOYSA-N 1 0 223.667 1.035 10 0 BDAERO C[NH2+][C@@H](C)c1sc(N2CCOCC2)nc1C ZINC000054900017 173421680 /nfs/dbraw/zinc/42/16/80/173421680.db2.gz YEGCWRIBTICNSC-QMMMGPOBSA-N 1 0 241.360 1.569 10 0 BDAERO C[NH2+][C@@H](CCO)c1ccc2c(c1)OCO2 ZINC000071511433 173422494 /nfs/dbraw/zinc/42/24/94/173422494.db2.gz NVQXFOKAVPDZFI-VIFPVBQESA-N 1 0 209.245 1.058 10 0 BDAERO C[NH2+][C@@H]([C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000043300372 173426690 /nfs/dbraw/zinc/42/66/90/173426690.db2.gz AUROXNXJPBJOGU-IUCAKERBSA-N 1 0 219.350 1.055 10 0 BDAERO C[NH2+][C@@H]1CCCCCC[C@@H]1n1cncn1 ZINC000043991889 173431759 /nfs/dbraw/zinc/43/17/59/173431759.db2.gz VSEHXQWEXKQQRJ-MNOVXSKESA-N 1 0 208.309 1.761 10 0 BDAERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1cnn(C)c1 ZINC000050540744 173431889 /nfs/dbraw/zinc/43/18/89/173431889.db2.gz JYIHQCDWOLYSNG-VXGBXAGGSA-N 1 0 207.321 1.741 10 0 BDAERO C[NH2+][C@H](CS(C)(=O)=O)c1cc(C)ccc1C ZINC000053303452 173452531 /nfs/dbraw/zinc/45/25/31/173452531.db2.gz KOEOTOCGGDKEOB-GFCCVEGCSA-N 1 0 241.356 1.609 10 0 BDAERO C[NH2+][C@H](Cc1cnn(C)c1)c1ncccc1C ZINC000050543233 173455331 /nfs/dbraw/zinc/45/53/31/173455331.db2.gz OCQZHUIXMDVYNV-GFCCVEGCSA-N 1 0 230.315 1.627 10 0 BDAERO C[NH2+][C@H]1CCCN(Cc2nccnc2Cl)C1 ZINC000095071508 173461826 /nfs/dbraw/zinc/46/18/26/173461826.db2.gz MIMOGADCTDGVES-VIFPVBQESA-N 1 0 240.738 1.314 10 0 BDAERO C[NH2+][C@H]1CCN(c2ccc(C)cc2F)C1 ZINC000037242215 173466710 /nfs/dbraw/zinc/46/67/10/173466710.db2.gz ILVKQMRVWIHYNX-JTQLQIEISA-N 1 0 208.280 1.932 10 0 BDAERO C[NH2+][C@H]1CCOC[C@H]1Oc1ccccc1F ZINC000044052695 173467035 /nfs/dbraw/zinc/46/70/35/173467035.db2.gz YSXOQSCDVRUADQ-CMPLNLGQSA-N 1 0 225.263 1.581 10 0 BDAERO CC1(C)CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000087253422 487626683 /nfs/dbraw/zinc/62/66/83/487626683.db2.gz JQTKDAPDRGRANU-WDEREUQCSA-N 1 0 224.348 1.620 10 0 BDAERO COC(=O)CC[NH2+]Cc1ccc2ncccc2c1 ZINC000037753078 173562646 /nfs/dbraw/zinc/56/26/46/173562646.db2.gz FOICEMJSBUKYAO-UHFFFAOYSA-N 1 0 244.294 1.888 10 0 BDAERO COC(=O)CC[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038058262 173566713 /nfs/dbraw/zinc/56/67/13/173566713.db2.gz UYENVESZOFXWFC-LBPRGKRZSA-N 1 0 249.310 1.965 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000062705976 173624673 /nfs/dbraw/zinc/62/46/73/173624673.db2.gz VXHMQZBQCWMACJ-MRVPVSSYSA-N 1 0 233.189 1.667 10 0 BDAERO COC(=O)C[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000036779563 173633515 /nfs/dbraw/zinc/63/35/15/173633515.db2.gz GTQMYVQVSXQRRD-JTQLQIEISA-N 1 0 239.290 1.909 10 0 BDAERO COC(=O)[C@@]1(N2CC[NH2+]CC2)CCC[C@H](C)C1 ZINC000037963648 173759392 /nfs/dbraw/zinc/75/93/92/173759392.db2.gz MSFVDIWAQFMMDH-WCQYABFASA-N 1 0 240.347 1.014 10 0 BDAERO COC1(C[NH2+]C[C@H](O)C(C)(C)C)CCCC1 ZINC000336751964 174001914 /nfs/dbraw/zinc/00/19/14/174001914.db2.gz DBYHIGOALCUCFL-NSHDSACASA-N 1 0 229.364 1.942 10 0 BDAERO COC1CCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC000054135023 174029977 /nfs/dbraw/zinc/02/99/77/174029977.db2.gz PNGYBMOCBBCHEQ-LLVKDONJSA-N 1 0 212.337 1.239 10 0 BDAERO COCCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186545889 174161555 /nfs/dbraw/zinc/16/15/55/174161555.db2.gz SKWQNDZSRRKOJU-NSHDSACASA-N 1 0 240.347 1.156 10 0 BDAERO COCCCCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000105924116 174177000 /nfs/dbraw/zinc/17/70/00/174177000.db2.gz KOYKZXWFKYRAJE-CYBMUJFWSA-N 1 0 244.379 1.066 10 0 BDAERO COCCCCNC(=O)[C@H]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000055138269 174199000 /nfs/dbraw/zinc/19/90/00/174199000.db2.gz SKZMLDKBCGIBEE-SRVKXCTJSA-N 1 0 242.363 1.293 10 0 BDAERO COCCC[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000092537265 174217788 /nfs/dbraw/zinc/21/77/88/174217788.db2.gz SGZRYPVLLKYMFO-UHFFFAOYSA-N 1 0 241.335 1.205 10 0 BDAERO COCCCN(C)c1cc(C)c(N)c[nH+]1 ZINC000077303505 174220777 /nfs/dbraw/zinc/22/07/77/174220777.db2.gz ROUIWVIPALLKES-UHFFFAOYSA-N 1 0 209.293 1.445 10 0 BDAERO COCCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699259 174235407 /nfs/dbraw/zinc/23/54/07/174235407.db2.gz QRMPFMKVWULYTB-NWDGAFQWSA-N 1 0 212.337 1.191 10 0 BDAERO COCCC[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033730 174247282 /nfs/dbraw/zinc/24/72/82/174247282.db2.gz VTIFKAVERORZEN-ZACCUICWSA-N 1 0 201.310 1.569 10 0 BDAERO COCCC[NH2+]CCN(C)C[C@@H]1CCCCO1 ZINC000053391668 174247441 /nfs/dbraw/zinc/24/74/41/174247441.db2.gz HAKNVVSJUNYCIT-ZDUSSCGKSA-N 1 0 244.379 1.113 10 0 BDAERO COCCC[NH2+]CC(=O)c1ccc2c(c1)CCN2 ZINC000041619323 174247625 /nfs/dbraw/zinc/24/76/25/174247625.db2.gz QKXMQDVZUAUMOS-UHFFFAOYSA-N 1 0 248.326 1.463 10 0 BDAERO COCCC[NH2+]Cc1ccc(O)c(OC)c1 ZINC000020142111 174247826 /nfs/dbraw/zinc/24/78/26/174247826.db2.gz ZWEDTHJSZPQTLG-UHFFFAOYSA-N 1 0 225.288 1.527 10 0 BDAERO COCCCNc1ccc(F)cc1C[NH3+] ZINC000071518539 174252392 /nfs/dbraw/zinc/25/23/92/174252392.db2.gz FUNFYSRDEWZLNU-UHFFFAOYSA-N 1 0 212.268 1.733 10 0 BDAERO COCCCOc1cc(CC[NH3+])ccc1OC ZINC000037754274 174256770 /nfs/dbraw/zinc/25/67/70/174256770.db2.gz JVKZBYJOSGBANG-UHFFFAOYSA-N 1 0 239.315 1.612 10 0 BDAERO COCCC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309643434 174263651 /nfs/dbraw/zinc/26/36/51/174263651.db2.gz LJICXLZGLMCKJZ-GARJFASQSA-N 1 0 228.336 1.058 10 0 BDAERO COCCCn1nccc1C[NH2+][C@H]1C[C@@H]1C ZINC000282651280 174267740 /nfs/dbraw/zinc/26/77/40/174267740.db2.gz 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1.580 10 0 BDAERO COCC[NH2+]C[C@@H](O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000037849319 174333379 /nfs/dbraw/zinc/33/33/79/174333379.db2.gz DMSBXUTZFDRSHU-JHJVBQTASA-N 1 0 245.363 1.179 10 0 BDAERO COCC[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009929 174334151 /nfs/dbraw/zinc/33/41/51/174334151.db2.gz BGKFKDIZCZNOPB-LLVKDONJSA-N 1 0 207.273 1.226 10 0 BDAERO COCC[NH2+]Cc1cnc(-c2ccncc2)nc1 ZINC000054856833 174335456 /nfs/dbraw/zinc/33/54/56/174335456.db2.gz PIOAWNSNGYEUDV-UHFFFAOYSA-N 1 0 244.298 1.275 10 0 BDAERO COCC[NH2+][C@H](C)c1ccc(O)c(F)c1 ZINC000020551086 174339838 /nfs/dbraw/zinc/33/98/38/174339838.db2.gz BUKSNHKEKZDJGG-MRVPVSSYSA-N 1 0 213.252 1.828 10 0 BDAERO COCC[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000019881605 174340448 /nfs/dbraw/zinc/34/04/48/174340448.db2.gz SPGUQWFNALRZEK-SECBINFHSA-N 1 0 225.288 1.698 10 0 BDAERO COCCO[C@@H](c1ccc(OC)cc1)[C@H](C)[NH3+] ZINC000042962938 174365608 /nfs/dbraw/zinc/36/56/08/174365608.db2.gz HKKCFZJHQLJLHN-GXFFZTMASA-N 1 0 239.315 1.747 10 0 BDAERO COCCO[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000020262755 174365857 /nfs/dbraw/zinc/36/58/57/174365857.db2.gz OQDPPJCZIMDAOT-CHWSQXEVSA-N 1 0 221.300 1.664 10 0 BDAERO COCCOc1ccc(-c2c[nH]c(C[NH3+])n2)cc1 ZINC000071561690 174367594 /nfs/dbraw/zinc/36/75/94/174367594.db2.gz GTCCYQLUFBBEBI-UHFFFAOYSA-N 1 0 247.298 1.561 10 0 BDAERO COCCOc1cc(C[NH3+])cc2occc21 ZINC000073739560 174367779 /nfs/dbraw/zinc/36/77/79/174367779.db2.gz VDKNATUUBGJOGC-UHFFFAOYSA-N 1 0 221.256 1.917 10 0 BDAERO COC[C@](C)(C[NH3+])N1CCc2ccccc21 ZINC000053197796 174615530 /nfs/dbraw/zinc/61/55/30/174615530.db2.gz GPKNFHUARQSPDV-ZDUSSCGKSA-N 1 0 220.316 1.413 10 0 BDAERO COCc1cccc(-n2nnc([C@@H](C)[NH3+])c2C)c1 ZINC000049511459 174627471 /nfs/dbraw/zinc/62/74/71/174627471.db2.gz ZOWHVHAJKOATDR-SECBINFHSA-N 1 0 246.314 1.742 10 0 BDAERO CO[C@@H]1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000095347498 174762593 /nfs/dbraw/zinc/76/25/93/174762593.db2.gz XPNGYPONHJYIPU-NXEZZACHSA-N 1 0 244.335 1.278 10 0 BDAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCN(C)C)C12CCC2 ZINC000365122947 174784362 /nfs/dbraw/zinc/78/43/62/174784362.db2.gz FLCYVJVGAYLYAV-IJLUTSLNSA-N 1 0 226.364 1.341 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000309410756 174842614 /nfs/dbraw/zinc/84/26/14/174842614.db2.gz BTHNOIBZYDXGGF-UTUOFQBUSA-N 1 0 227.348 1.816 10 0 BDAERO COc1c2c(ccc1C[C@@H](C)[NH3+])OCO2 ZINC000006036833 174929283 /nfs/dbraw/zinc/92/92/83/174929283.db2.gz OSJXZWMDUMAITM-SSDOTTSWSA-N 1 0 209.245 1.314 10 0 BDAERO COc1c(Cl)cc(F)cc1[C@@H](N)C[NH3+] ZINC000044475210 174929819 /nfs/dbraw/zinc/92/98/19/174929819.db2.gz KBDDLTBFNPWRJZ-QMMMGPOBSA-N 1 0 218.659 1.446 10 0 BDAERO COc1cc(N[C@H](C)CCCC[NH3+])ncn1 ZINC000309443392 175004526 /nfs/dbraw/zinc/00/45/26/175004526.db2.gz MHWAYRWRDYYXPW-SECBINFHSA-N 1 0 224.308 1.415 10 0 BDAERO COc1cc(OC)cc([C@@H](O)[C@@H](C)[NH3+])c1 ZINC000020216968 175011008 /nfs/dbraw/zinc/01/10/08/175011008.db2.gz MYXXJIQFBCNQJU-HQJQHLMTSA-N 1 0 211.261 1.084 10 0 BDAERO COc1cc(OCCC[NH3+])c(OC)cc1C ZINC000107287917 175011820 /nfs/dbraw/zinc/01/18/20/175011820.db2.gz PRZUVAXUNULRHW-UHFFFAOYSA-N 1 0 225.288 1.740 10 0 BDAERO COc1cc([C@H](C)N2CC[NH2+]CC2)ccc1O ZINC000038086684 175015714 /nfs/dbraw/zinc/01/57/14/175015714.db2.gz GMOLLIAUCSBZBD-JTQLQIEISA-N 1 0 236.315 1.367 10 0 BDAERO COc1cc2c(c(OC)c1)C[C@H]([NH3+])CC2 ZINC000057938567 175019292 /nfs/dbraw/zinc/01/92/92/175019292.db2.gz HWHWNVDZGARYOI-SECBINFHSA-N 1 0 207.273 1.520 10 0 BDAERO COc1ccc(-c2[nH+]c(N)[nH]c2C)cc1OC ZINC000082546949 175039934 /nfs/dbraw/zinc/03/99/34/175039934.db2.gz UQLUWMZHHGLUMU-UHFFFAOYSA-N 1 0 233.271 1.985 10 0 BDAERO CCCN1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324569764 487629872 /nfs/dbraw/zinc/62/98/72/487629872.db2.gz WFWJHUVCBHXBMB-NWDGAFQWSA-N 1 0 228.380 1.467 10 0 BDAERO COc1ccc(C(=O)[C@H]2CCC[NH2+]2)cc1OC ZINC000011630670 175066413 /nfs/dbraw/zinc/06/64/13/175066413.db2.gz DKNUWUDMJFEQFO-SNVBAGLBSA-N 1 0 235.283 1.639 10 0 BDAERO COc1ccc(C)cc1N1CCC[NH2+]CC1 ZINC000049660550 175076891 /nfs/dbraw/zinc/07/68/91/175076891.db2.gz ZAADFVXPSDSKOC-UHFFFAOYSA-N 1 0 220.316 1.803 10 0 BDAERO COc1ccc(C)cc1N1C[C@H](C[NH3+])CC1=O ZINC000019669567 175077020 /nfs/dbraw/zinc/07/70/20/175077020.db2.gz QWAZYNQKVUAPIR-JTQLQIEISA-N 1 0 234.299 1.315 10 0 BDAERO COc1ccc(C)cc1[C@@H]1C[NH2+]CCO1 ZINC000037405072 175080643 /nfs/dbraw/zinc/08/06/43/175080643.db2.gz TXESORBSPLTBFD-LBPRGKRZSA-N 1 0 207.273 1.665 10 0 BDAERO COc1ccc(C)cc1[C@H]([NH3+])CN(C)C ZINC000023071700 175082256 /nfs/dbraw/zinc/08/22/56/175082256.db2.gz JUAPPAAXGCSEEM-LLVKDONJSA-N 1 0 208.305 1.565 10 0 BDAERO COc1ccc(C)cc1[C@]1(C)C[C@@]1(C[NH3+])CO ZINC000070553666 175082947 /nfs/dbraw/zinc/08/29/47/175082947.db2.gz QYCLBDJNRKDTKJ-UONOGXRCSA-N 1 0 235.327 1.602 10 0 BDAERO COc1ccc(CCN(C)CC[NH3+])cc1C ZINC000077334585 175089396 /nfs/dbraw/zinc/08/93/96/175089396.db2.gz XVXIGCMBJJEHHH-UHFFFAOYSA-N 1 0 222.332 1.437 10 0 BDAERO COc1ccc(CCC[NH3+])c(OC)c1OC ZINC000043559352 175089687 /nfs/dbraw/zinc/08/96/87/175089687.db2.gz CCAZRKNCFCHFKS-UHFFFAOYSA-N 1 0 225.288 1.604 10 0 BDAERO COc1ccc(CC[NH3+])c(SC)c1OC ZINC000028765616 175090729 /nfs/dbraw/zinc/09/07/29/175090729.db2.gz NJNFCDQQEIAOIF-UHFFFAOYSA-N 1 0 227.329 1.927 10 0 BDAERO COc1ccc(CC[NH2+]C2COC2)cc1 ZINC000076641097 175091336 /nfs/dbraw/zinc/09/13/36/175091336.db2.gz KCGBOQPUDSERCO-UHFFFAOYSA-N 1 0 207.273 1.226 10 0 BDAERO COc1ccc(CCOCC[NH3+])cc1OC ZINC000057953005 175092540 /nfs/dbraw/zinc/09/25/40/175092540.db2.gz WLNJIVLWKDLVCU-UHFFFAOYSA-N 1 0 225.288 1.222 10 0 BDAERO COc1ccc(CC[C@@H](O)[C@H]2CCC[NH2+]2)cc1 ZINC000071546214 175092861 /nfs/dbraw/zinc/09/28/61/175092861.db2.gz WKLFAGZVIOSZSZ-ZIAGYGMSSA-N 1 0 235.327 1.741 10 0 BDAERO COc1ccc(C[NH3+])cc1OCCn1cccn1 ZINC000049313550 175097897 /nfs/dbraw/zinc/09/78/97/175097897.db2.gz OXOUKTVUBQBSMG-UHFFFAOYSA-N 1 0 247.298 1.429 10 0 BDAERO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282393731 175112021 /nfs/dbraw/zinc/11/20/21/175112021.db2.gz PDILEJSVCWVYAF-GWCFXTLKSA-N 1 0 248.326 1.452 10 0 BDAERO COc1ccc(COCCCC(N)=[NH2+])cc1 ZINC000019965686 175113302 /nfs/dbraw/zinc/11/33/02/175113302.db2.gz XAZPIQFVNIXEGF-UHFFFAOYSA-N 1 0 222.288 1.928 10 0 BDAERO COc1ccc(C[C@H](C[NH3+])N(C)C)c(OC)c1 ZINC000041280514 175117144 /nfs/dbraw/zinc/11/71/44/175117144.db2.gz CLEUYIFMLDSMIZ-LLVKDONJSA-N 1 0 238.331 1.135 10 0 BDAERO COc1ccc(C[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000041237451 175117727 /nfs/dbraw/zinc/11/77/27/175117727.db2.gz IFFIFTJLTJQLQG-LLVKDONJSA-N 1 0 221.300 1.998 10 0 BDAERO COc1ccc(Cl)cc1-n1cnc(C[NH3+])c1 ZINC000082549033 175119514 /nfs/dbraw/zinc/11/95/14/175119514.db2.gz VEHMSCXUIXHGAC-UHFFFAOYSA-N 1 0 237.690 1.993 10 0 BDAERO COc1ccc(Cl)cc1[C@@H]([NH3+])CCO ZINC000071519489 175121991 /nfs/dbraw/zinc/12/19/91/175121991.db2.gz IISZDTLKLXOCDP-VIFPVBQESA-N 1 0 215.680 1.731 10 0 BDAERO COc1ccc(Cl)cc1[C@H]([NH3+])CO ZINC000041210919 175123005 /nfs/dbraw/zinc/12/30/05/175123005.db2.gz QURGNXDDBWLYOV-MRVPVSSYSA-N 1 0 201.653 1.341 10 0 BDAERO COc1ccc(Cl)cc1[C@H]([NH3+])CN(C)C ZINC000071533856 175123088 /nfs/dbraw/zinc/12/30/88/175123088.db2.gz VEKRJRJROHNVOA-SNVBAGLBSA-N 1 0 228.723 1.910 10 0 BDAERO COc1ccc(F)cc1[C@@H]([NH3+])[C@H]1CCOC1 ZINC000048622940 175132555 /nfs/dbraw/zinc/13/25/55/175132555.db2.gz LIABPGZZEOEISV-UFBFGSQYSA-N 1 0 225.263 1.871 10 0 BDAERO COc1ccc(NC[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000041270940 175151877 /nfs/dbraw/zinc/15/18/77/175151877.db2.gz DYEZVJLSIGRJLB-JTQLQIEISA-N 1 0 236.315 1.868 10 0 BDAERO COc1ccc(N[C@H]2CCC[NH2+]C2)cc1O ZINC000043326874 175155317 /nfs/dbraw/zinc/15/53/17/175155317.db2.gz PAIKENIISOFYCI-JTQLQIEISA-N 1 0 222.288 1.565 10 0 BDAERO COc1ccc(OC)c(C(=O)C[NH2+]C2CC2)c1 ZINC000041613988 175164275 /nfs/dbraw/zinc/16/42/75/175164275.db2.gz NPZCILTVASKSTC-UHFFFAOYSA-N 1 0 235.283 1.639 10 0 BDAERO COc1ccc(OC)c(C(=O)CC[NH+](C)C)c1 ZINC000049828707 175164352 /nfs/dbraw/zinc/16/43/52/175164352.db2.gz CDJGCDDVYIDRSE-UHFFFAOYSA-N 1 0 237.299 1.838 10 0 BDAERO COc1ccc(OC)c(N2CC[C@H]([NH3+])C2)c1 ZINC000037240742 175166285 /nfs/dbraw/zinc/16/62/85/175166285.db2.gz INGMAPNGCVTJEG-VIFPVBQESA-N 1 0 222.288 1.241 10 0 BDAERO COc1ccc(OC)c(COC[C@H](C)[NH3+])c1 ZINC000098124981 175166305 /nfs/dbraw/zinc/16/63/05/175166305.db2.gz GBHYLVBCGUXKPA-VIFPVBQESA-N 1 0 225.288 1.568 10 0 BDAERO COc1ccc(OC)c([C@@H]2C[NH2+][C@@H](C)CO2)c1 ZINC000033466007 175167895 /nfs/dbraw/zinc/16/78/95/175167895.db2.gz UPYHMHWXHIDIRU-ZANVPECISA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc(OC)c([C@@H](O)CC[NH+](C)C)c1 ZINC000041629443 175168286 /nfs/dbraw/zinc/16/82/86/175168286.db2.gz VXTLZRWWTUGFKY-LBPRGKRZSA-N 1 0 239.315 1.689 10 0 BDAERO COc1ccc(OC)c([C@H](O)CC[NH3+])c1 ZINC000019674824 175168894 /nfs/dbraw/zinc/16/88/94/175168894.db2.gz SLQHAMPPJYSSAA-SNVBAGLBSA-N 1 0 211.261 1.086 10 0 BDAERO COc1ccc(OC)c([C@]2(C)CC[NH2+]C2)c1 ZINC000051955355 175169838 /nfs/dbraw/zinc/16/98/38/175169838.db2.gz BBKADVIFLXEMPY-CYBMUJFWSA-N 1 0 221.300 1.955 10 0 BDAERO COc1ccc(OC)c2c1CC[C@@H]1[NH2+]CCO[C@H]21 ZINC000005054930 175170603 /nfs/dbraw/zinc/17/06/03/175170603.db2.gz IWIOMGBNNCSSIO-HZMBPMFUSA-N 1 0 249.310 1.680 10 0 BDAERO COc1ccc(OC)c2c1C[NH2+]C[C@H]2C ZINC000057494560 175170673 /nfs/dbraw/zinc/17/06/73/175170673.db2.gz HHQONHUAQWPXAE-MRVPVSSYSA-N 1 0 207.273 1.911 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)cc1OC ZINC000033466027 175181198 /nfs/dbraw/zinc/18/11/98/175181198.db2.gz WSWKTLCHYZCUSI-GXFFZTMASA-N 1 0 237.299 1.489 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000001644086 175181418 /nfs/dbraw/zinc/18/14/18/175181418.db2.gz LVNIMCPYSKQYIW-QWHCGFSZSA-N 1 0 221.300 1.871 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@H](C)O2)cc1 ZINC000032011714 175184612 /nfs/dbraw/zinc/18/46/12/175184612.db2.gz IIBBIKJONCCHEH-CABZTGNLSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@@H]2C[C@@]2(C[NH3+])CO)cc1C ZINC000070500453 175185633 /nfs/dbraw/zinc/18/56/33/175185633.db2.gz CXWFALREAJPTML-WCQYABFASA-N 1 0 221.300 1.428 10 0 BDAERO COc1ccc([C@@]2(C)OC[C@@H](C[NH3+])O2)cc1F ZINC000049830457 175186883 /nfs/dbraw/zinc/18/68/83/175186883.db2.gz YXKFTWOLYVIKBP-SKDRFNHKSA-N 1 0 241.262 1.381 10 0 BDAERO COc1ccc([C@H](C)[NH2+]C2COC2)cc1 ZINC000085300100 175188262 /nfs/dbraw/zinc/18/82/62/175188262.db2.gz QODVMGDMBHXFEY-VIFPVBQESA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@H]([NH3+])CO)c(Cl)c1 ZINC000071508325 175191814 /nfs/dbraw/zinc/19/18/14/175191814.db2.gz RKFJULZVYGOVPL-SECBINFHSA-N 1 0 201.653 1.341 10 0 BDAERO COc1ccc([C@H]2C[NH2+][C@H](C)CO2)cc1 ZINC000032011703 175196307 /nfs/dbraw/zinc/19/63/07/175196307.db2.gz CFKIYIHDMWNNLB-BXKDBHETSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@H]2C[NH2+][C@@H](C)CO2)cc1F ZINC000036986506 175196967 /nfs/dbraw/zinc/19/69/67/175196967.db2.gz SNKNVRXDXPREBO-QPUJVOFHSA-N 1 0 225.263 1.884 10 0 BDAERO COc1ccc2c(c1)CC[C@@H](OC)[C@H]2[NH3+] ZINC000019398925 175210097 /nfs/dbraw/zinc/21/00/97/175210097.db2.gz HFMPATQDLPRZHD-NEPJUHHUSA-N 1 0 207.273 1.656 10 0 BDAERO COc1ccc2c(c1)C[C@@]1(C[NH+]=CN1)CC2 ZINC000013743731 175211431 /nfs/dbraw/zinc/21/14/31/175211431.db2.gz PCMFDIVLXLOWGP-CYBMUJFWSA-N 1 0 216.284 1.554 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](C)CS2(=O)=O ZINC000035755738 175215815 /nfs/dbraw/zinc/21/58/15/175215815.db2.gz BWPLOEXCSADIBN-WRWORJQWSA-N 1 0 241.312 1.118 10 0 BDAERO COc1ccc2c(c1OC)CC[N@@H+](C)C2 ZINC000001999223 175222217 /nfs/dbraw/zinc/22/22/17/175222217.db2.gz HHVOIBSWCXRZJW-UHFFFAOYSA-N 1 0 207.273 1.692 10 0 BDAERO COc1ccc2cc([C@H]([NH3+])CO)ccc2c1 ZINC000038124656 175226047 /nfs/dbraw/zinc/22/60/47/175226047.db2.gz XERYRVFWRFUBIZ-CYBMUJFWSA-N 1 0 217.268 1.841 10 0 BDAERO COc1ccc2[nH]c(SCC(N)=[NH2+])nc2c1 ZINC000019863482 175229206 /nfs/dbraw/zinc/22/92/06/175229206.db2.gz MSALIEPXTONFCS-UHFFFAOYSA-N 1 0 236.300 1.600 10 0 BDAERO COc1ccc2oc(N3CC[NH2+]CC3)nc2c1 ZINC000062530946 175230764 /nfs/dbraw/zinc/23/07/64/175230764.db2.gz YNFLBODUIFLTDT-UHFFFAOYSA-N 1 0 233.271 1.246 10 0 BDAERO COc1cccc(C(=O)N(C)C[C@H](C)C[NH3+])c1 ZINC000042454929 175242849 /nfs/dbraw/zinc/24/28/49/175242849.db2.gz IJJAEJATGKRRRA-SNVBAGLBSA-N 1 0 236.315 1.362 10 0 BDAERO COc1cccc(C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000041213534 175247484 /nfs/dbraw/zinc/24/74/84/175247484.db2.gz BZKUPRFWTQRBBV-NSHDSACASA-N 1 0 205.257 1.630 10 0 BDAERO COc1cccc(C[NH3+])c1O[C@H]1CCCOC1 ZINC000076683796 175256684 /nfs/dbraw/zinc/25/66/84/175256684.db2.gz ZNOPTZNZBVQMBX-NSHDSACASA-N 1 0 237.299 1.712 10 0 BDAERO COc1cccc(C[C@@H]2C[NH2+]CC[C@@H]2O)c1 ZINC000071522983 175271695 /nfs/dbraw/zinc/27/16/95/175271695.db2.gz WMSRQUZBKIYXOX-YPMHNXCESA-N 1 0 221.300 1.208 10 0 BDAERO COc1cccc(C[C@H]([NH3+])c2cnn(C)c2)c1 ZINC000034957643 175272098 /nfs/dbraw/zinc/27/20/98/175272098.db2.gz TUVLMVGTCAEJDH-ZDUSSCGKSA-N 1 0 231.299 1.671 10 0 BDAERO COc1cccc(Nc2nc[nH+]c(NN)c2N)c1 ZINC000040688066 175280449 /nfs/dbraw/zinc/28/04/49/175280449.db2.gz KAYKSPRYNTVCSL-UHFFFAOYSA-N 1 0 246.274 1.097 10 0 BDAERO COc1cccc(O[C@@H](C)C2=[NH+]CCN2)c1C ZINC000027710192 175284268 /nfs/dbraw/zinc/28/42/68/175284268.db2.gz FUXVROBXJAUSTA-JTQLQIEISA-N 1 0 234.299 1.773 10 0 BDAERO COc1cccc([C@@H](O)CC[NH+](C)C)c1 ZINC000041629318 175288519 /nfs/dbraw/zinc/28/85/19/175288519.db2.gz MPPDIUIGJXVRJU-LBPRGKRZSA-N 1 0 209.289 1.680 10 0 BDAERO COc1cccc([C@@]2(O)CC[N@@H+](C3CC3)C2)c1 ZINC000061988460 175291376 /nfs/dbraw/zinc/29/13/76/175291376.db2.gz LHVADWVZAVGRJA-CQSZACIVSA-N 1 0 233.311 1.751 10 0 BDAERO COc1cccc([C@H](C[NH3+])NC(C)C)c1OC ZINC000050270854 175294287 /nfs/dbraw/zinc/29/42/87/175294287.db2.gz VCJODOQNZSITSE-NSHDSACASA-N 1 0 238.331 1.702 10 0 BDAERO COc1cccc([C@H](C[NH3+])n2nc(C)nc2C)c1 ZINC000043028979 175294566 /nfs/dbraw/zinc/29/45/66/175294566.db2.gz KTRYELAXYOYNED-ZDUSSCGKSA-N 1 0 246.314 1.452 10 0 BDAERO COc1cccc([C@](C)(O)[C@@H]2CCC[NH2+]C2)c1 ZINC000071545745 175296850 /nfs/dbraw/zinc/29/68/50/175296850.db2.gz YPZVOSGOKDDYAF-OCCSQVGLSA-N 1 0 235.327 1.902 10 0 BDAERO COc1cccc2c1C[C@H]1CC[NH2+][C@@H]1C2 ZINC000013826584 175303546 /nfs/dbraw/zinc/30/35/46/175303546.db2.gz OBGADVDRELNMHY-ZYHUDNBSSA-N 1 0 203.285 1.772 10 0 BDAERO COc1cccc2c1S(=O)(=O)C[C@@H](C)[C@H]2[NH3+] ZINC000041030814 175304585 /nfs/dbraw/zinc/30/45/85/175304585.db2.gz RXEMWPVYLZDJGI-GMSGAONNSA-N 1 0 241.312 1.118 10 0 BDAERO COc1cccc2c1[C@@H](O)[C@H]([NH3+])CCC2 ZINC000019795516 175305318 /nfs/dbraw/zinc/30/53/18/175305318.db2.gz CWKINACSCKGYJT-SKDRFNHKSA-N 1 0 207.273 1.392 10 0 BDAERO COc1ccccc1C(=O)c1ccc(C[NH3+])o1 ZINC000041256972 175319945 /nfs/dbraw/zinc/31/99/45/175319945.db2.gz DLMDBMBFDGZKQE-UHFFFAOYSA-N 1 0 231.251 1.978 10 0 BDAERO COc1ccccc1C1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000002545017 175320571 /nfs/dbraw/zinc/32/05/71/175320571.db2.gz OSNWWHCHTLEKOW-BVUQATHDSA-N 1 0 233.311 1.797 10 0 BDAERO COc1ccccc1N[C@@H]1CCC[NH2+]C1 ZINC000034566149 175338755 /nfs/dbraw/zinc/33/87/55/175338755.db2.gz GBBPIIWZBMKROE-SNVBAGLBSA-N 1 0 206.289 1.859 10 0 BDAERO COc1ccccc1[C@@H]([NH3+])Cn1cccn1 ZINC000011848817 175346836 /nfs/dbraw/zinc/34/68/36/175346836.db2.gz FPBMJASKOLFDBT-NSHDSACASA-N 1 0 217.272 1.592 10 0 BDAERO COc1ccccc1[C@@H](N)C[NH+]1CCCC1 ZINC000023067693 175347373 /nfs/dbraw/zinc/34/73/73/175347373.db2.gz XJQWGNQUZKBZKS-LBPRGKRZSA-N 1 0 220.316 1.791 10 0 BDAERO COc1ccccc1[C@@H]([NH2+]CC(C)C)C(N)=O ZINC000037946171 175347588 /nfs/dbraw/zinc/34/75/88/175347588.db2.gz NUMRIJLKDCTJKT-GFCCVEGCSA-N 1 0 236.315 1.467 10 0 BDAERO COc1ccccc1[C@H]([NH3+])c1cncnc1 ZINC000052886889 175353177 /nfs/dbraw/zinc/35/31/77/175353177.db2.gz MBGMUXDDQPKUSB-GFCCVEGCSA-N 1 0 215.256 1.533 10 0 BDAERO COc1ccccc1[C@H]([NH3+])CN1CCCC1=O ZINC000022566428 175353641 /nfs/dbraw/zinc/35/36/41/175353641.db2.gz AESPHWXYILTHDT-LLVKDONJSA-N 1 0 234.299 1.317 10 0 BDAERO COc1ccccc1[C@H](O)C1CC[NH2+]CC1 ZINC000019674943 175354469 /nfs/dbraw/zinc/35/44/69/175354469.db2.gz GVEWAUPLTLZANP-CYBMUJFWSA-N 1 0 221.300 1.728 10 0 BDAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C ZINC000043096924 175354507 /nfs/dbraw/zinc/35/45/07/175354507.db2.gz FFTFVDJCTSTFSW-SKDRFNHKSA-N 1 0 208.305 1.645 10 0 BDAERO COc1ccccc1[S@](=O)C[C@H]1CC[NH2+]C1 ZINC000083319643 175356076 /nfs/dbraw/zinc/35/60/76/175356076.db2.gz WZWKTGFIKAAJEF-QFYYESIMSA-N 1 0 239.340 1.412 10 0 BDAERO COc1nc(C)c(C[NH2+]C[C@H]2CCCO2)s1 ZINC000045205495 175389666 /nfs/dbraw/zinc/38/96/66/175389666.db2.gz RXEDSHYZQGLWJE-SECBINFHSA-N 1 0 242.344 1.729 10 0 BDAERO COc1nc(NC2CC[NH+](C)CC2)ccc1N ZINC000037267270 175395649 /nfs/dbraw/zinc/39/56/49/175395649.db2.gz JFAUQUVLHMLSPR-UHFFFAOYSA-N 1 0 236.319 1.179 10 0 BDAERO Cc1nc(N2CCO[C@@H]([C@H](C)[NH3+])C2)sc1C ZINC000228376167 487630646 /nfs/dbraw/zinc/63/06/46/487630646.db2.gz YCHORTHJVFKUIX-OIBJUYFYSA-N 1 0 241.360 1.312 10 0 BDAERO CSc1nccnc1COC1CC[NH2+]CC1 ZINC000095071945 175590550 /nfs/dbraw/zinc/59/05/50/175590550.db2.gz MCXKLLVJUHKJRL-UHFFFAOYSA-N 1 0 239.344 1.467 10 0 BDAERO C[C@@H](C[NH3+])Sc1ccc(F)cc1N ZINC000082638749 175712312 /nfs/dbraw/zinc/71/23/12/175712312.db2.gz ACLAZPRUKVALGH-LURJTMIESA-N 1 0 200.282 1.847 10 0 BDAERO C[C@@H](CO)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671399 175757951 /nfs/dbraw/zinc/75/79/51/175757951.db2.gz XOGBDKRJSSWZPP-ZFWWWQNUSA-N 1 0 248.370 1.274 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccc1F ZINC000037764246 175803263 /nfs/dbraw/zinc/80/32/63/175803263.db2.gz OYQGWXRKTGJRER-RKDXNWHRSA-N 1 0 224.279 1.740 10 0 BDAERO C[C@@H]([NH3+])Cc1ccc(OC[C@H]2CCOC2)cc1 ZINC000049689873 175807133 /nfs/dbraw/zinc/80/71/33/175807133.db2.gz CMZCJAICBQJYRV-YPMHNXCESA-N 1 0 235.327 1.992 10 0 BDAERO C[C@@H]([NH3+])Cc1noc(Cc2ccsc2)n1 ZINC000054161484 175807776 /nfs/dbraw/zinc/80/77/76/175807776.db2.gz XWZZYKLAZMKCTQ-SSDOTTSWSA-N 1 0 223.301 1.612 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000034498988 175810299 /nfs/dbraw/zinc/81/02/99/175810299.db2.gz RBRVCTUMEAJWIH-ZYHUDNBSSA-N 1 0 218.300 1.382 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1cc(Br)ccc1F ZINC000020216784 175812328 /nfs/dbraw/zinc/81/23/28/175812328.db2.gz SCNWDVZQHMFFEI-ANLVUFKYSA-N 1 0 248.095 1.969 10 0 BDAERO C[C@@H]([NH3+])c1ccc(NC(=O)N2CC[C@H](O)C2)cc1 ZINC000061713739 175817694 /nfs/dbraw/zinc/81/76/94/175817694.db2.gz IQYGBSATVOUNNZ-SKDRFNHKSA-N 1 0 249.314 1.305 10 0 BDAERO C[C@@H](NC(=[NH2+])NC1CC1)c1ccncc1 ZINC000052041837 175823138 /nfs/dbraw/zinc/82/31/38/175823138.db2.gz OLAYNSYGQRPQRS-MRVPVSSYSA-N 1 0 204.277 1.419 10 0 BDAERO C[C@@H](NC(=O)C1(C[NH3+])CCCC1)c1cccnc1 ZINC000044762623 175825867 /nfs/dbraw/zinc/82/58/67/175825867.db2.gz KTVBHTJBAFRDGC-LLVKDONJSA-N 1 0 247.342 1.778 10 0 BDAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000042166083 175833245 /nfs/dbraw/zinc/83/32/45/175833245.db2.gz VKQXJCRLXJEFAN-ZYHUDNBSSA-N 1 0 233.315 1.401 10 0 BDAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000062853753 175844891 /nfs/dbraw/zinc/84/48/91/175844891.db2.gz QPBSKMDKBZTAIR-RISCZKNCSA-N 1 0 247.342 1.649 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)C(=O)N(C)C ZINC000036852825 175917930 /nfs/dbraw/zinc/91/79/30/175917930.db2.gz QFHMNKHOXQWMNE-BXKDBHETSA-N 1 0 248.326 1.446 10 0 BDAERO C[C@@H](O)c1ccccc1NC(=O)CC[NH2+]C1CC1 ZINC000049547450 175999843 /nfs/dbraw/zinc/99/98/43/175999843.db2.gz XYHOHCREBNSVHU-SNVBAGLBSA-N 1 0 248.326 1.821 10 0 BDAERO C[C@@H](O)c1ccccc1NC(=O)CC[NH3+] ZINC000049547288 176000235 /nfs/dbraw/zinc/00/02/35/176000235.db2.gz CWHXOJVJZLLXCT-MRVPVSSYSA-N 1 0 208.261 1.027 10 0 BDAERO C[C@@H](OC[C@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068475 176002970 /nfs/dbraw/zinc/00/29/70/176002970.db2.gz QOAHLQTYHOZDIL-GHMZBOCLSA-N 1 0 221.304 1.696 10 0 BDAERO C[C@@H]([NH3+])c1ccc(O[C@H](C)C(=O)NC2CC2)cc1 ZINC000020419253 176004780 /nfs/dbraw/zinc/00/47/80/176004780.db2.gz HQRVLQRKCJYOJR-NXEZZACHSA-N 1 0 248.326 1.752 10 0 BDAERO C[C@@H]([C@H]1CC[NH2+]C1)N(C)C(=O)OC(C)(C)C ZINC000034181937 176012006 /nfs/dbraw/zinc/01/20/06/176012006.db2.gz HVVIYRKKUMDWRP-UWVGGRQHSA-N 1 0 228.336 1.851 10 0 BDAERO C[C@@H]([C@H]1CCCC[NH2+]1)N1CCCCC1=O ZINC000035690821 176012151 /nfs/dbraw/zinc/01/21/51/176012151.db2.gz HGYDRQIAGVCCIE-WDEREUQCSA-N 1 0 210.321 1.530 10 0 BDAERO C[C@@H](c1ccc(Cl)cc1)N1C[C@@H]([NH3+])CC1=O ZINC000049526768 176014111 /nfs/dbraw/zinc/01/41/11/176014111.db2.gz MWSNELBVEYLQFD-KWQFWETISA-N 1 0 238.718 1.961 10 0 BDAERO C[C@@H](c1ccc2c(c1)OCO2)N(C)CC[NH3+] ZINC000054416776 176016518 /nfs/dbraw/zinc/01/65/18/176016518.db2.gz SWAMHZPWSGEKNZ-VIFPVBQESA-N 1 0 222.288 1.367 10 0 BDAERO C[C@@H](c1cnccn1)N(C)C[C@@H]1CCCC[NH2+]1 ZINC000095068206 176036321 /nfs/dbraw/zinc/03/63/21/176036321.db2.gz WXKZFLIKDXSUIL-RYUDHWBXSA-N 1 0 234.347 1.612 10 0 BDAERO C[C@@H](c1nncn1C)n1ccc2c1CCC[C@H]2[NH3+] ZINC000050422285 176040412 /nfs/dbraw/zinc/04/04/12/176040412.db2.gz AHRNNBBDVWJHAX-GXSJLCMTSA-N 1 0 245.330 1.562 10 0 BDAERO C[C@@H]1CCC(=O)[C@@H](C[NH+]2CCC(CO)CC2)C1 ZINC000053924593 176061016 /nfs/dbraw/zinc/06/10/16/176061016.db2.gz SJPGJEVAWKMEEZ-DGCLKSJQSA-N 1 0 239.359 1.696 10 0 BDAERO C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000246870167 176068599 /nfs/dbraw/zinc/06/85/99/176068599.db2.gz JLVKGSOSLWMVHQ-GMTAPVOTSA-N 1 0 210.321 1.515 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCCC(=O)[O-] ZINC000037286510 176071253 /nfs/dbraw/zinc/07/12/53/176071253.db2.gz XEJWWMNMWBDMSC-GFCCVEGCSA-N 1 0 242.363 1.705 10 0 BDAERO C[C@@H]1CCCC[C@@]1(CN)[N@@H+]1CCCOCC1 ZINC000061916630 176083658 /nfs/dbraw/zinc/08/36/58/176083658.db2.gz USYUVGCYBUFSNN-OLZOCXBDSA-N 1 0 226.364 1.616 10 0 BDAERO C[C@@H]1CCCC[C@@]1([NH3+])C(=O)OC1CCC1 ZINC000050929373 176083713 /nfs/dbraw/zinc/08/37/13/176083713.db2.gz OMWBSUOSERHSRN-SKDRFNHKSA-N 1 0 211.305 1.990 10 0 BDAERO C[C@@H]1CCCC[C@]1(C[NH3+])N1CCOCC1 ZINC000019517425 176090217 /nfs/dbraw/zinc/09/02/17/176090217.db2.gz LYKFITVJWCMUFF-VXGBXAGGSA-N 1 0 212.337 1.226 10 0 BDAERO C[C@@H]1CCCC[C@]1([NH3+])CCS(C)(=O)=O ZINC000053753666 176091466 /nfs/dbraw/zinc/09/14/66/176091466.db2.gz ZFXMLCTVYPWEJL-ZJUUUORDSA-N 1 0 219.350 1.329 10 0 BDAERO C[C@@H]1CCCN(c2ncc(C[NH3+])s2)C1 ZINC000054864275 176103995 /nfs/dbraw/zinc/10/39/95/176103995.db2.gz HGQOOQPELQYCLP-MRVPVSSYSA-N 1 0 211.334 1.838 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCC1CCCC1 ZINC000051792646 176111401 /nfs/dbraw/zinc/11/14/01/176111401.db2.gz FJFRWJUUUZSHEP-PWSUYJOCSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H]1CCC[C@](CO)([NH2+]Cc2cnccn2)C1 ZINC000054766797 176152484 /nfs/dbraw/zinc/15/24/84/176152484.db2.gz XLYCOYSTIZKMLD-YPMHNXCESA-N 1 0 235.331 1.507 10 0 BDAERO C[C@@H]1CCN(Cc2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000235341269 176176976 /nfs/dbraw/zinc/17/69/76/176176976.db2.gz SHEOKYHDYYLYJN-PWSUYJOCSA-N 1 0 237.322 1.637 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncccc1F ZINC000335657223 176186106 /nfs/dbraw/zinc/18/61/06/176186106.db2.gz OWMQTFYUBVFCCG-PSASIEDQSA-N 1 0 209.268 1.631 10 0 BDAERO C[C@@H]1CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000216678603 176186961 /nfs/dbraw/zinc/18/69/61/176186961.db2.gz NNGQHFTWMLQAJL-VWYCJHECSA-N 1 0 240.347 1.994 10 0 BDAERO C[C@@H]1CN(C(=O)CCCCCC[NH3+])C[C@@H](C)O1 ZINC000019427995 176245719 /nfs/dbraw/zinc/24/57/19/176245719.db2.gz UXMWTORIJSUVBL-VXGBXAGGSA-N 1 0 242.363 1.531 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H]1[NH3+] ZINC000235376178 176261253 /nfs/dbraw/zinc/26/12/53/176261253.db2.gz CMQWDQMKGUDXPP-SKDRFNHKSA-N 1 0 246.310 1.041 10 0 BDAERO C[C@@H]1CN(C)[C@H](Cc2ccccc2)C[NH2+]1 ZINC000062569163 176279693 /nfs/dbraw/zinc/27/96/93/176279693.db2.gz RBJGTNLLRAUFMO-DGCLKSJQSA-N 1 0 204.317 1.521 10 0 BDAERO C[C@@H]1C[N@H+](C2Cc3ccccc3C2)[C@H](C)CN1 ZINC000083357670 176283237 /nfs/dbraw/zinc/28/32/37/176283237.db2.gz UMRZZTXIWMIQIW-VXGBXAGGSA-N 1 0 230.355 1.836 10 0 BDAERO C[C@@H]1CN(CC2(C[NH3+])CCCC2)C[C@@H](C)O1 ZINC000051209689 176284338 /nfs/dbraw/zinc/28/43/38/176284338.db2.gz GRTNXBMYPJZGEI-VXGBXAGGSA-N 1 0 226.364 1.615 10 0 BDAERO C[C@@H]1CN(Cc2cccc(O)c2)C[C@@H]1[NH+](C)C ZINC000131472316 176306634 /nfs/dbraw/zinc/30/66/34/176306634.db2.gz FYLHWMXWCPVJLD-RISCZKNCSA-N 1 0 234.343 1.774 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC1 ZINC000113575520 176322497 /nfs/dbraw/zinc/32/24/97/176322497.db2.gz HLIHGAUSNVGCNK-MWLCHTKSSA-N 1 0 223.320 1.027 10 0 BDAERO C[C@@H]1C[NH2+]CCN(Cc2ccc(F)cc2)C1 ZINC000049661665 176325300 /nfs/dbraw/zinc/32/53/00/176325300.db2.gz OYNRUAZHUBCWLX-LLVKDONJSA-N 1 0 222.307 1.867 10 0 BDAERO C[C@@H]1COCC[N@@H+]1CCc1ccccc1N ZINC000052918295 176335293 /nfs/dbraw/zinc/33/52/93/176335293.db2.gz QPCZNOIZZDCKSP-LLVKDONJSA-N 1 0 220.316 1.532 10 0 BDAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1cccs1 ZINC000035775105 176337864 /nfs/dbraw/zinc/33/78/64/176337864.db2.gz RGROQSUVZWFKTN-ZJUUUORDSA-N 1 0 226.345 1.469 10 0 BDAERO C[C@@H]1CSC(NCCc2cccnc2)=[NH+]1 ZINC000037718687 176348926 /nfs/dbraw/zinc/34/89/26/176348926.db2.gz UMLYLVHFQJZMHE-SECBINFHSA-N 1 0 221.329 1.705 10 0 BDAERO C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000309459269 176356219 /nfs/dbraw/zinc/35/62/19/176356219.db2.gz OJKPMMPBZKTJSK-OUAUKWLOSA-N 1 0 247.404 1.504 10 0 BDAERO C[C@@H]1C[C@@H](C)C[NH+](CCC(N)=S)C1 ZINC000019513260 176360592 /nfs/dbraw/zinc/36/05/92/176360592.db2.gz JSTNLVNSPLKLLC-RKDXNWHRSA-N 1 0 200.351 1.641 10 0 BDAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000020075321 176361488 /nfs/dbraw/zinc/36/14/88/176361488.db2.gz SDEFAJJMNSTIIT-WZRBSPASSA-N 1 0 236.363 1.398 10 0 BDAERO C[C@@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000073657447 176370783 /nfs/dbraw/zinc/37/07/83/176370783.db2.gz LZDVHMLKYPUGAN-ZJUUUORDSA-N 1 0 228.336 1.994 10 0 BDAERO C[C@@H]1C[C@@H](NN)CC[N@@H+]1Cc1ccccc1 ZINC000073656477 176378258 /nfs/dbraw/zinc/37/82/58/176378258.db2.gz TVOVGLAGYWFFAX-YPMHNXCESA-N 1 0 219.332 1.503 10 0 BDAERO C[C@@](O)(C[NH3+])c1cccc(Br)c1 ZINC000055032541 176516030 /nfs/dbraw/zinc/51/60/30/176516030.db2.gz HZTWHHWNUJWXGR-SECBINFHSA-N 1 0 230.105 1.615 10 0 BDAERO C[C@@]1(c2ccc(F)cc2F)C[C@]1(C[NH3+])CO ZINC000070500842 176546654 /nfs/dbraw/zinc/54/66/54/176546654.db2.gz KKPDBOURAAEWBP-RYUDHWBXSA-N 1 0 227.254 1.564 10 0 BDAERO C[C@H](CC1CC1)NC(=O)C[NH2+]CC1CC1 ZINC000069668820 176611461 /nfs/dbraw/zinc/61/14/61/176611461.db2.gz ZTRXWWQZDHGWMS-SECBINFHSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@H]([NH3+])C(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000040768744 176749654 /nfs/dbraw/zinc/74/96/54/176749654.db2.gz WQJOALGKEAYSMJ-VIFPVBQESA-N 1 0 244.298 1.040 10 0 BDAERO C[C@H]([NH3+])Cc1noc(-c2cccnc2)n1 ZINC000054161335 176763039 /nfs/dbraw/zinc/76/30/39/176763039.db2.gz KZTXTQLBOPHVBG-ZETCQYMHSA-N 1 0 204.233 1.021 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC000063193192 176766003 /nfs/dbraw/zinc/76/60/03/176766003.db2.gz JSRQYYKLASWUPA-UWVGGRQHSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@H]([NH3+])c1cc2[nH]c(=O)[nH]c2cc1Cl ZINC000058117905 176775551 /nfs/dbraw/zinc/77/55/51/176775551.db2.gz UTRRJGFXYPMQFG-BYPYZUCNSA-N 1 0 211.652 1.529 10 0 BDAERO C[C@H]([NH2+]C1(C)CCCC1)C(=O)N1CCCC1 ZINC000042187481 176826954 /nfs/dbraw/zinc/82/69/54/176826954.db2.gz VCOZLXODOSEOAC-NSHDSACASA-N 1 0 224.348 1.920 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CCCOC1 ZINC000336747858 176858255 /nfs/dbraw/zinc/85/82/55/176858255.db2.gz SIBKANPAEFAFIS-QJPTWQEYSA-N 1 0 229.364 1.798 10 0 BDAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ncccc1F)C2 ZINC000383530394 487636339 /nfs/dbraw/zinc/63/63/39/487636339.db2.gz QRJKYOGUBGICRJ-GWCFXTLKSA-N 1 0 235.306 1.786 10 0 BDAERO C[C@H](OCC1CC[NH2+]CC1)c1cnccn1 ZINC000095068560 177020811 /nfs/dbraw/zinc/02/08/11/177020811.db2.gz DPMRJXJQLJAFBX-JTQLQIEISA-N 1 0 221.304 1.554 10 0 BDAERO C[C@H](OC[C@H]1CCC[NH2+]C1)C(=O)N1CCCC1 ZINC000051815246 177021431 /nfs/dbraw/zinc/02/14/31/177021431.db2.gz DJONMUDBDAVNHZ-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@H](Oc1cccc(N)c1)C1=[NH+]CCN1 ZINC000027704935 177023712 /nfs/dbraw/zinc/02/37/12/177023712.db2.gz YGOMUSUVXCIYMV-QMMMGPOBSA-N 1 0 205.261 1.038 10 0 BDAERO C[C@H](SCC[NH3+])C(=O)c1ccccc1 ZINC000058249411 177026889 /nfs/dbraw/zinc/02/68/89/177026889.db2.gz OUDFUPYTQVHSKY-VIFPVBQESA-N 1 0 209.314 1.950 10 0 BDAERO C[C@H](c1ccc(C[NH3+])cc1)N1CCOC1=O ZINC000037748198 177032728 /nfs/dbraw/zinc/03/27/28/177032728.db2.gz DVIHLQHDJXVWHN-SECBINFHSA-N 1 0 220.272 1.659 10 0 BDAERO C[C@H](c1ccc(Cl)s1)n1nnnc1C[NH3+] ZINC000054747295 177033233 /nfs/dbraw/zinc/03/32/33/177033233.db2.gz ILOQHIQDDYGAHX-RXMQYKEDSA-N 1 0 243.723 1.456 10 0 BDAERO C[C@H](c1ccccc1)[C@@H]([NH3+])c1ncon1 ZINC000041046476 177040193 /nfs/dbraw/zinc/04/01/93/177040193.db2.gz QFHVKHICVMKZFZ-PSASIEDQSA-N 1 0 203.245 1.873 10 0 BDAERO C[C@H](c1ccccc1F)N1C[C@H]([NH3+])CC1=O ZINC000049531915 177041493 /nfs/dbraw/zinc/04/14/93/177041493.db2.gz QCTWODCKFIOEOA-RKDXNWHRSA-N 1 0 222.263 1.446 10 0 BDAERO C[C@H](c1ccncc1)N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037823872 177050559 /nfs/dbraw/zinc/05/05/59/177050559.db2.gz DRHXPMOSUXZFMZ-PWSUYJOCSA-N 1 0 233.315 1.353 10 0 BDAERO C[C@H](c1ccncc1)N1CCC[NH2+]CCC1 ZINC000049666715 177051467 /nfs/dbraw/zinc/05/14/67/177051467.db2.gz WYMIRQYIKIMBFN-GFCCVEGCSA-N 1 0 219.332 1.828 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2C)[NH2+]1 ZINC000019482584 177073027 /nfs/dbraw/zinc/07/30/27/177073027.db2.gz UOYLXUJPVCKPBU-GRYCIOLGSA-N 1 0 224.348 1.918 10 0 BDAERO C[C@H](C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C(=O)[O-] ZINC000035757864 177074802 /nfs/dbraw/zinc/07/48/02/177074802.db2.gz SJOZVHGQGQRPRO-NEPJUHHUSA-N 1 0 242.363 1.561 10 0 BDAERO C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000037982733 177083069 /nfs/dbraw/zinc/08/30/69/177083069.db2.gz IOENNKZTKYNLJT-SRVKXCTJSA-N 1 0 245.388 1.589 10 0 BDAERO C[C@H]1CCCC[C@]1([NH3+])CCS(C)(=O)=O ZINC000053753669 177090170 /nfs/dbraw/zinc/09/01/70/177090170.db2.gz ZFXMLCTVYPWEJL-UWVGGRQHSA-N 1 0 219.350 1.329 10 0 BDAERO C[C@H]1CCC[NH2+][C@@H]1CNC(=O)c1cccc(O)c1 ZINC000071338549 177112574 /nfs/dbraw/zinc/11/25/74/177112574.db2.gz MDVHSGRAGKOXPY-GXFFZTMASA-N 1 0 248.326 1.510 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C)[NH2+]2)C[C@H](C)O1 ZINC000019440262 177112794 /nfs/dbraw/zinc/11/27/94/177112794.db2.gz HOKSZIMQQLURMJ-YFKTTZPYSA-N 1 0 240.347 1.153 10 0 BDAERO C[C@H]1CCC[C@@H](CNC(=O)C2CCC2)[NH2+]1 ZINC000051572939 177119195 /nfs/dbraw/zinc/11/91/95/177119195.db2.gz GYLZRKCUSSCZJD-ONGXEEELSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@H]1CCC[C@H](CNC(=O)C2CCC2)[NH2+]1 ZINC000051572935 177133123 /nfs/dbraw/zinc/13/31/23/177133123.db2.gz GYLZRKCUSSCZJD-GXSJLCMTSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@H]1CCC[C@H](CN2C(=O)CCCCC2=O)[NH2+]1 ZINC000051574809 177133676 /nfs/dbraw/zinc/13/36/76/177133676.db2.gz MYSSAJLDJVJMCH-WDEREUQCSA-N 1 0 238.331 1.446 10 0 BDAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CCC[NH3+] ZINC000019471243 177135031 /nfs/dbraw/zinc/13/50/31/177135031.db2.gz XWKSBDUQCMCPSY-AXFHLTTASA-N 1 0 212.337 1.666 10 0 BDAERO C[C@H]1CCC[C@]([NH3+])(Cc2cnn(C)c2)C1 ZINC000050541563 177143419 /nfs/dbraw/zinc/14/34/19/177143419.db2.gz DCZAPEUOQXWQHF-CMPLNLGQSA-N 1 0 207.321 1.870 10 0 BDAERO C[C@H]1CCC[C@]([NH2+]C[C@@H]2CCCO2)(C(N)=O)C1 ZINC000037942947 177143855 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CC[C@H]1CN(c2nc(C)cnc2C)CC[C@H]1[NH3+] ZINC000251641373 487781109 /nfs/dbraw/zinc/78/11/09/487781109.db2.gz FYSCHELKWQWVDK-NWDGAFQWSA-N 1 0 234.347 1.657 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)C1CCC1 ZINC000322282561 487792439 /nfs/dbraw/zinc/79/24/39/487792439.db2.gz OGEHYYIFFYUCSW-KGLIPLIRSA-N 1 0 240.391 1.875 10 0 BDAERO CC[C@@H]1CN(c2ccccn2)CC[C@H]1[NH3+] ZINC000251852056 487802396 /nfs/dbraw/zinc/80/23/96/487802396.db2.gz RWJJIOSJBZUGMA-GHMZBOCLSA-N 1 0 205.305 1.645 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC1CCOCC1 ZINC000107065559 487804059 /nfs/dbraw/zinc/80/40/59/487804059.db2.gz LXJKJUDLNOPGKI-ZYHUDNBSSA-N 1 0 242.363 1.245 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC1CCOCC1 ZINC000107065562 487804138 /nfs/dbraw/zinc/80/41/38/487804138.db2.gz LXJKJUDLNOPGKI-CMPLNLGQSA-N 1 0 242.363 1.245 10 0 BDAERO CC[C@H]1CN(c2ncc(C)cn2)CC[C@H]1[NH3+] ZINC000251873128 487804951 /nfs/dbraw/zinc/80/49/51/487804951.db2.gz UONYVHREWTZEMF-WDEREUQCSA-N 1 0 220.320 1.349 10 0 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200.326 1.522 10 0 BDAERO C[C@@H]([NH3+])CCNCc1nc2c(s1)CCC2 ZINC000666775566 487878644 /nfs/dbraw/zinc/87/86/44/487878644.db2.gz XDVKZWQWOJYOOC-MRVPVSSYSA-N 1 0 225.361 1.459 10 0 BDAERO CC1(C)C[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000227428139 487879616 /nfs/dbraw/zinc/87/96/16/487879616.db2.gz LBGRVSHYVNSZQR-MXWKQRLJSA-N 1 0 224.348 1.524 10 0 BDAERO [NH3+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000054716759 487883466 /nfs/dbraw/zinc/88/34/66/487883466.db2.gz XOMAWZBKHPAAGM-UHFFFAOYSA-N 1 0 205.236 1.529 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)C1CCCC1 ZINC000336753701 487889939 /nfs/dbraw/zinc/88/99/39/487889939.db2.gz WMTGMOOZLLVSMR-HOSYDEDBSA-N 1 0 224.348 1.822 10 0 BDAERO C[NH2+][C@@H](C)CNCc1nc2c(s1)CCC2 ZINC000666896861 487899236 /nfs/dbraw/zinc/89/92/36/487899236.db2.gz FNKMODFZQXDZMO-QMMMGPOBSA-N 1 0 225.361 1.329 10 0 BDAERO CCC[C@@H](C)NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000668541985 487912075 /nfs/dbraw/zinc/91/20/75/487912075.db2.gz YTLHNJWXQPAWBI-NEPJUHHUSA-N 1 0 241.379 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[NH3+][C@@]1(c2ccccc2Br)C[C@@H](O)C1 ZINC000536961462 323974954 /nfs/dbraw/zinc/97/49/54/323974954.db2.gz ZRPMSUMOCFTEIJ-WKFQBHICSA-N 1 0 242.116 1.758 10 0 BDAERO CC[NH+](CC)C[C@H](C)NC(=O)OC(C)C ZINC000127227784 324755656 /nfs/dbraw/zinc/75/56/56/324755656.db2.gz MHLYBLCMBFLJQF-JTQLQIEISA-N 1 0 216.325 1.851 10 0 BDAERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1ncc[nH]1 ZINC000130746422 325082985 /nfs/dbraw/zinc/08/29/85/325082985.db2.gz UNCZOSRFMLJPQN-GFCCVEGCSA-N 1 0 236.363 1.620 10 0 BDAERO CC[N@H+](CC(=O)N[C@H](C)[C@@H]1CCCO1)C1CC1 ZINC000131027633 325108923 /nfs/dbraw/zinc/10/89/23/325108923.db2.gz XQHGZZUHIIIJFY-PWSUYJOCSA-N 1 0 240.347 1.154 10 0 BDAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000134541942 325364660 /nfs/dbraw/zinc/36/46/60/325364660.db2.gz YCCCMFUYRUJDNU-GMTAPVOTSA-N 1 0 228.336 1.058 10 0 BDAERO OC1CC(C[NH2+]Cc2cnn3ccccc23)C1 ZINC000091538769 325687698 /nfs/dbraw/zinc/68/76/98/325687698.db2.gz HWYUJQGOGWATEQ-UHFFFAOYSA-N 1 0 231.299 1.195 10 0 BDAERO COc1ccncc1CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566732298 326077251 /nfs/dbraw/zinc/07/72/51/326077251.db2.gz WWOPZIQZEOKJRI-NEPJUHHUSA-N 1 0 249.358 1.568 10 0 BDAERO CCC(C)(C)OCC[NH2+]CC(C)(C)O ZINC000308688536 326137457 /nfs/dbraw/zinc/13/74/57/326137457.db2.gz DNHUGUGTIDBMDK-UHFFFAOYSA-N 1 0 203.326 1.552 10 0 BDAERO O[C@@H](CC[NH2+][C@@H]1CCCC[C@H]1O)C(F)(F)F ZINC000567179443 326130524 /nfs/dbraw/zinc/13/05/24/326130524.db2.gz FQRUQKWOUYREAT-HLTSFMKQSA-N 1 0 241.253 1.193 10 0 BDAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)C1CCCC1 ZINC000070619475 487984931 /nfs/dbraw/zinc/98/49/31/487984931.db2.gz ODDJQTHHDICBCV-GXFFZTMASA-N 1 0 224.348 1.823 10 0 BDAERO Cc1ncsc1CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161611714 487988355 /nfs/dbraw/zinc/98/83/55/487988355.db2.gz NQYQFNXCGMQZGA-NSHDSACASA-N 1 0 240.372 1.698 10 0 BDAERO CO[C@@H]([C@@H](C)[NH2+]CC(C)(C)O)C1CC1 ZINC000388240843 487994081 /nfs/dbraw/zinc/99/40/81/487994081.db2.gz QRBZLSGVYFVLNP-SCZZXKLOSA-N 1 0 201.310 1.160 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@]1(C)CCCO1 ZINC000309610193 487995254 /nfs/dbraw/zinc/99/52/54/487995254.db2.gz ZSGFUCTVQYDOFC-RNJOBUHISA-N 1 0 227.348 1.837 10 0 BDAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000659248805 488005034 /nfs/dbraw/zinc/00/50/34/488005034.db2.gz MZMNHDSNULAESB-RYUDHWBXSA-N 1 0 236.359 1.907 10 0 BDAERO Cc1c(C[NH2+]CC2=CCCC2)cnn1C ZINC000401180234 488018936 /nfs/dbraw/zinc/01/89/36/488018936.db2.gz XZMLZIIZEWKHKY-UHFFFAOYSA-N 1 0 205.305 1.928 10 0 BDAERO Cn1cc(C[N@H+](C)C[C@@H]2CCC[C@H](O)C2)cn1 ZINC000310450956 488024306 /nfs/dbraw/zinc/02/43/06/488024306.db2.gz VPXJTSVMOAFJJM-YPMHNXCESA-N 1 0 237.347 1.403 10 0 BDAERO CCN(CC[NH3+])c1nccc(C(F)(F)F)n1 ZINC000081588558 488028917 /nfs/dbraw/zinc/02/89/17/488028917.db2.gz LUEFBEUWLBVHDF-UHFFFAOYSA-N 1 0 234.225 1.280 10 0 BDAERO O=C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000401479306 488029710 /nfs/dbraw/zinc/02/97/10/488029710.db2.gz UDZVQBDCXPMQFX-YVECIDJPSA-N 1 0 248.370 1.823 10 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BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCC(F)(F)F ZINC000084310862 488044707 /nfs/dbraw/zinc/04/47/07/488044707.db2.gz WDCANSFUSDZFGA-SFYZADRCSA-N 1 0 238.253 1.430 10 0 BDAERO CCN(CC1CC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084311025 488045156 /nfs/dbraw/zinc/04/51/56/488045156.db2.gz ZQSVNZRSIVTQDX-RYUDHWBXSA-N 1 0 224.348 1.620 10 0 BDAERO Cc1cnccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000129064893 488072082 /nfs/dbraw/zinc/07/20/82/488072082.db2.gz QTXCTIOPMPXSHA-JTQLQIEISA-N 1 0 221.304 1.702 10 0 BDAERO Cc1cc(CO)cc(N2C[C@H](C)C[C@@H](O)C2)n1 ZINC000401948964 488074338 /nfs/dbraw/zinc/07/43/38/488074338.db2.gz KNNIEDKUVINKGA-BXKDBHETSA-N 1 0 236.315 1.089 10 0 BDAERO Cc1ncc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000257713177 488083498 /nfs/dbraw/zinc/08/34/98/488083498.db2.gz SGBCLCIJRUVVKB-ONGXEEELSA-N 1 0 234.303 1.099 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2ncncc2Cl)C1 ZINC000389233508 488084052 /nfs/dbraw/zinc/08/40/52/488084052.db2.gz BFRJUDDQYRXICJ-MRVPVSSYSA-N 1 0 226.711 1.636 10 0 BDAERO 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BDAERO C[C@H](CO)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121245107 490079909 /nfs/dbraw/zinc/07/99/09/490079909.db2.gz JFKDNTXHFDSQMB-YNEHKIRRSA-N 1 0 227.348 1.242 10 0 BDAERO OC[C@H]1COCC[N@@H+]1CCC1CCCC1 ZINC000300768701 487531532 /nfs/dbraw/zinc/53/15/32/487531532.db2.gz PEYXVTQWZWVOTM-LBPRGKRZSA-N 1 0 213.321 1.260 10 0 BDAERO CC[C@@H]1CN(c2cc(OC)ncn2)CC[C@H]1[NH3+] ZINC000251525047 487533613 /nfs/dbraw/zinc/53/36/13/487533613.db2.gz ACUMNJRADFWLCZ-NXEZZACHSA-N 1 0 236.319 1.049 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)C[C@@H]1C ZINC000086013599 487471663 /nfs/dbraw/zinc/47/16/63/487471663.db2.gz CUJKVMLDNRJUSC-JYBOHDQNSA-N 1 0 224.348 1.618 10 0 BDAERO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000231743150 487472228 /nfs/dbraw/zinc/47/22/28/487472228.db2.gz PGXKKSFEWLEJHC-IONNQARKSA-N 1 0 225.292 1.016 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)C(C)(C)C[NH3+])o1 ZINC000231743322 487472259 /nfs/dbraw/zinc/47/22/59/487472259.db2.gz YHSBZPDYYVMERM-QMMMGPOBSA-N 1 0 225.292 1.145 10 0 BDAERO C[NH2+]CCCC(=O)N[C@@H](C)c1ncc(C)o1 ZINC000231744403 487474331 /nfs/dbraw/zinc/47/43/31/487474331.db2.gz HKGWVLQWCXZKPH-VIFPVBQESA-N 1 0 225.292 1.160 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1O ZINC000093655119 487482612 /nfs/dbraw/zinc/48/26/12/487482612.db2.gz QXQRQCFPZJEMAE-UWVGGRQHSA-N 1 0 234.299 1.767 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CC1=CCCCC1 ZINC000380554674 487479089 /nfs/dbraw/zinc/47/90/89/487479089.db2.gz KPIMLFLOMIAXSJ-CMPLNLGQSA-N 1 0 222.332 1.825 10 0 BDAERO Cn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC2)cn1 ZINC000086247243 487492227 /nfs/dbraw/zinc/49/22/27/487492227.db2.gz WTVWKNPHZWJZRM-JOYOIKCWSA-N 1 0 221.304 1.250 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)CCC(C)(C)C ZINC000399733604 487496399 /nfs/dbraw/zinc/49/63/99/487496399.db2.gz SFTBLTFKEPJTJN-SECBINFHSA-N 1 0 200.326 1.489 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@@H]1CO ZINC000381116464 487497526 /nfs/dbraw/zinc/49/75/26/487497526.db2.gz HIFIWJAWMGIYII-FVCCEPFGSA-N 1 0 227.348 1.240 10 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IBQQBACJRUIYQE-UHFFFAOYSA-N 1 0 238.335 1.125 10 0 BDAERO CC1(C(=O)NC2C3CC4CC(C3)CC2C4)C[NH2+]C1 ZINC000399243319 490092326 /nfs/dbraw/zinc/09/23/26/490092326.db2.gz JFLLIISJDMXHOR-UHFFFAOYSA-N 1 0 248.370 1.537 10 0 BDAERO Cn1cccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000050595842 490162488 /nfs/dbraw/zinc/16/24/88/490162488.db2.gz MSLOJSBPWTYNJR-PWSUYJOCSA-N 1 0 208.305 1.418 10 0 BDAERO CCc1nn(C)cc1C[NH2+]CCn1cc(C)cn1 ZINC000220978660 490163195 /nfs/dbraw/zinc/16/31/95/490163195.db2.gz PPFJIHQIYQIISL-UHFFFAOYSA-N 1 0 247.346 1.277 10 0 BDAERO CC[C@]1(C[NH3+])COc2c(F)ccc(F)c2O1 ZINC000536953969 490235657 /nfs/dbraw/zinc/23/56/57/490235657.db2.gz JRRHDHASNALZCO-NSHDSACASA-N 1 0 229.226 1.844 10 0 BDAERO C[C@@H](O)C[NH2+][C@@H](C)COCc1ccccc1 ZINC000307016328 490251623 /nfs/dbraw/zinc/25/16/23/490251623.db2.gz VADABKBLKMAHFL-NWDGAFQWSA-N 1 0 223.316 1.562 10 0 BDAERO C[C@@H](NC(=O)c1cccc2c1CC[NH2+]C2)C1CC1 ZINC000124134948 490295109 /nfs/dbraw/zinc/29/51/09/490295109.db2.gz LBGMKJBOGDCPPC-SNVBAGLBSA-N 1 0 244.338 1.861 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336738356 490301264 /nfs/dbraw/zinc/30/12/64/490301264.db2.gz OCXISJBIDBKFKA-MXWKQRLJSA-N 1 0 224.348 1.822 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)CC1=CCCCC1 ZINC000168857672 490303857 /nfs/dbraw/zinc/30/38/57/490303857.db2.gz GRUIAOAGMFCKIR-LBPRGKRZSA-N 1 0 222.332 1.827 10 0 BDAERO OCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000125215544 490420072 /nfs/dbraw/zinc/42/00/72/490420072.db2.gz MVUIHOKBNPLKOE-HUUCEWRRSA-N 1 0 249.354 1.820 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309049451 491051983 /nfs/dbraw/zinc/05/19/83/491051983.db2.gz QAHXJOFZPZOGKM-CMPLNLGQSA-N 1 0 207.321 1.445 10 0 BDAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000226884355 491052582 /nfs/dbraw/zinc/05/25/82/491052582.db2.gz MDUUQQKESLDIED-MVWJERBFSA-N 1 0 237.347 1.683 10 0 BDAERO CC[C@H](C)C[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004686 491056172 /nfs/dbraw/zinc/05/61/72/491056172.db2.gz YUWRZMYFUJAQPF-RYUDHWBXSA-N 1 0 214.353 1.343 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000038997085 491069581 /nfs/dbraw/zinc/06/95/81/491069581.db2.gz LPDKINPSBQKRBR-MRVPVSSYSA-N 1 0 208.261 1.242 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000228160511 491091249 /nfs/dbraw/zinc/09/12/49/491091249.db2.gz LSEWZLSZNAADRB-UTUOFQBUSA-N 1 0 213.321 1.305 10 0 BDAERO COCC[C@@H](C)[N@@H+]1CC[C@@H](CCO)C1 ZINC000228267558 491092979 /nfs/dbraw/zinc/09/29/79/491092979.db2.gz OQKTZNLUBOZYEN-MNOVXSKESA-N 1 0 201.310 1.116 10 0 BDAERO CCC(CC)[C@@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757147503 582531776 /nfs/dbraw/zinc/53/17/76/582531776.db2.gz CEZFZFJSWBXVMP-NSHDSACASA-N 1 0 248.392 1.176 10 0 BDAERO CC1(C)C[C@]2(CO1)[NH2+][C@H](C1CC1)CCO2 ZINC000757148575 582532922 /nfs/dbraw/zinc/53/29/22/582532922.db2.gz VHUAXIDARJTVMN-JQWIXIFHSA-N 1 0 211.305 1.670 10 0 BDAERO CC(C)c1nsc(N2CC[C@@H]2C[NH3+])n1 ZINC000757150176 582534364 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/nfs/dbraw/zinc/86/75/33/517867533.db2.gz OTDCIFHFJZYULV-IUCAKERBSA-N 1 0 236.319 1.048 10 0 BDAERO C[NH2+][C@@H](C)c1ccccc1N1CCOCC1 ZINC000034837329 536350695 /nfs/dbraw/zinc/35/06/95/536350695.db2.gz AEJKTGHYFRQLET-NSHDSACASA-N 1 0 220.316 1.804 10 0 BDAERO CC(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088022779 534725237 /nfs/dbraw/zinc/72/52/37/534725237.db2.gz JILKLFWQCHOHPS-OLZOCXBDSA-N 1 0 225.332 1.593 10 0 BDAERO C[C@@H](C[NH3+])NC(=O)c1c[nH]c2ccccc12 ZINC000082577988 524585848 /nfs/dbraw/zinc/58/58/48/524585848.db2.gz YDTBGRMLYOCFOO-QMMMGPOBSA-N 1 0 217.272 1.245 10 0 BDAERO Cc1ccc(F)cc1C(=O)NCCCCC[NH3+] ZINC000079867693 524844612 /nfs/dbraw/zinc/84/46/12/524844612.db2.gz LYWLVHLQHVRBRS-UHFFFAOYSA-N 1 0 238.306 1.993 10 0 BDAERO Cc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)n1C ZINC000229003217 525886861 /nfs/dbraw/zinc/88/68/61/525886861.db2.gz NRYZCHLZDMTLQD-JTQLQIEISA-N 1 0 246.314 1.851 10 0 BDAERO CC1(C)C[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261731262 534905096 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CC[C@@H]1C[C@H](C[NH2+][C@H](C)[C@@H](C)O)CCO1 ZINC000336736159 635256755 /nfs/dbraw/zinc/25/67/55/635256755.db2.gz PAYGFCZOFZHEEL-DDHJBXDOSA-N 1 0 215.337 1.551 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000336777380 635287920 /nfs/dbraw/zinc/28/79/20/635287920.db2.gz IHAFRPZKABHZBR-IUCAKERBSA-N 1 0 243.376 1.064 10 0 BDAERO C([C@H]1CCC[NH2+]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000221032572 635321422 /nfs/dbraw/zinc/32/14/22/635321422.db2.gz NVBGWDLYLMMBEU-FRRDWIJNSA-N 1 0 224.348 1.382 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@H]2Cc3ccccc3O2)n1 ZINC000054158626 635775130 /nfs/dbraw/zinc/77/51/30/635775130.db2.gz DMHKZMHCHPCANW-LDYMZIIASA-N 1 0 245.282 1.808 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1cncc(Cl)n1 ZINC000126475693 635836018 /nfs/dbraw/zinc/83/60/18/635836018.db2.gz ZNJOMLPVVIBUPW-VIFPVBQESA-N 1 0 240.738 1.708 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000342187400 636327472 /nfs/dbraw/zinc/32/74/72/636327472.db2.gz FWEXSLHMNNEIIR-VHSXEESVSA-N 1 0 246.310 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BDAERO NC1=[NH+]CC[C@@H](c2ccc(F)cc2F)N1 ZINC000149745086 639109834 /nfs/dbraw/zinc/10/98/34/639109834.db2.gz WUJRLWRZCJZPHQ-VIFPVBQESA-N 1 0 211.215 1.314 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)c1cc(F)ncn1 ZINC000150083176 639300904 /nfs/dbraw/zinc/30/09/04/639300904.db2.gz WELNZIDXXJIDCT-VIFPVBQESA-N 1 0 224.283 1.004 10 0 BDAERO CC(C)[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC000129449041 640171409 /nfs/dbraw/zinc/17/14/09/640171409.db2.gz RDLZQXSACQJTTL-ZJUUUORDSA-N 1 0 214.353 1.911 10 0 BDAERO CCc1nc(-c2cccc(C[NH3+])c2)n(C)n1 ZINC000054696939 640305161 /nfs/dbraw/zinc/30/51/61/640305161.db2.gz QCCVUUPYFVAPNJ-UHFFFAOYSA-N 1 0 216.288 1.503 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])c1nc(C(C)C)nn1C ZINC000054697779 640305565 /nfs/dbraw/zinc/30/55/65/640305565.db2.gz ZMQXPWOGDOKYFE-RKDXNWHRSA-N 1 0 210.325 1.984 10 0 BDAERO CC(C)Cc1nc([C@H]2CCC[NH2+]2)n(C)n1 ZINC000054699025 640319276 /nfs/dbraw/zinc/31/92/76/640319276.db2.gz UCLDURYBWFETSF-SECBINFHSA-N 1 0 208.309 1.438 10 0 BDAERO CC[NH2+]Cc1nc(C2CCCC2)nn1C ZINC000054699276 640321384 /nfs/dbraw/zinc/32/13/84/640321384.db2.gz FKTQYDGUTGIFHA-UHFFFAOYSA-N 1 0 208.309 1.582 10 0 BDAERO [NH3+]Cc1cccc(C(=O)NCC[C@@H]2CCCO2)c1 ZINC000044510162 640395552 /nfs/dbraw/zinc/39/55/52/640395552.db2.gz YSIVCXRGUIYQFD-ZDUSSCGKSA-N 1 0 248.326 1.444 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000055087284 640434010 /nfs/dbraw/zinc/43/40/10/640434010.db2.gz HCHAPZRSXNZLBO-WISYIIOYSA-N 1 0 240.347 1.188 10 0 BDAERO CCOc1cccc([C@@H]2C[NH2+]C[C@H]2C(=O)OC)c1 ZINC000166513454 640645650 /nfs/dbraw/zinc/64/56/50/640645650.db2.gz NPFFISHVODSEER-QWHCGFSZSA-N 1 0 249.310 1.561 10 0 BDAERO Cc1ccnc(N2C3CCC2(C[NH3+])CC3)c1 ZINC000722988241 711493974 /nfs/dbraw/zinc/49/39/74/711493974.db2.gz XMLTXYYMBWFWCD-UHFFFAOYSA-N 1 0 217.316 1.850 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cn1 ZINC000158180086 640819377 /nfs/dbraw/zinc/81/93/77/640819377.db2.gz JEAYTKXRXSVOIO-CHWSQXEVSA-N 1 0 220.316 1.783 10 0 BDAERO CO[C@@H](c1noc(CC2([NH3+])CCC2)n1)C1CC1 ZINC000227328978 640827848 /nfs/dbraw/zinc/82/78/48/640827848.db2.gz WWTXJIDLMGESFV-SNVBAGLBSA-N 1 0 237.303 1.591 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)nc1 ZINC000227421191 640833122 /nfs/dbraw/zinc/83/31/22/640833122.db2.gz KTFFFDAGNKOMBY-WCBMZHEXSA-N 1 0 237.278 1.534 10 0 BDAERO Cc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)ncn1 ZINC000227644618 640843505 /nfs/dbraw/zinc/84/35/05/640843505.db2.gz UFHRQNPTJGPPPJ-ZJUUUORDSA-N 1 0 206.293 1.324 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2nc(C[C@@H]3CCCO3)no2)C1 ZINC000227883146 640852634 /nfs/dbraw/zinc/85/26/34/640852634.db2.gz STVRXTAVVKNPPX-BBBLOLIVSA-N 1 0 237.303 1.386 10 0 BDAERO CC(C)(CO)[NH2+]CCCOc1ccccc1 ZINC000060533375 640866836 /nfs/dbraw/zinc/86/68/36/640866836.db2.gz RSDWDXWIORDTDE-UHFFFAOYSA-N 1 0 223.316 1.816 10 0 BDAERO CCCOc1ccnc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000228269550 640867635 /nfs/dbraw/zinc/86/76/35/640867635.db2.gz PDMVHMBPMBNFMW-UWVGGRQHSA-N 1 0 238.335 1.803 10 0 BDAERO CCCc1noc(C[C@@H]([NH3+])CC(C)C)n1 ZINC000087527000 640909241 /nfs/dbraw/zinc/90/92/41/640909241.db2.gz JVIRWOKXQZHUPI-VIFPVBQESA-N 1 0 211.309 1.938 10 0 BDAERO C[C@H](CC[S@@](C)=O)[NH2+]CCc1ccccc1 ZINC000229153780 640928304 /nfs/dbraw/zinc/92/83/04/640928304.db2.gz HHJSQZMXDOQBNM-MLGOLLRUSA-N 1 0 239.384 1.976 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000229271855 640941507 /nfs/dbraw/zinc/94/15/07/640941507.db2.gz KFOPQZVZLQLMKA-NSHDSACASA-N 1 0 227.348 1.839 10 0 BDAERO COC1CC(NC(=[NH2+])NC2CCCC2)C1 ZINC000230579626 641069625 /nfs/dbraw/zinc/06/96/25/641069625.db2.gz QEQXIBMKEVQAHC-UHFFFAOYSA-N 1 0 211.309 1.220 10 0 BDAERO C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000062861636 641100497 /nfs/dbraw/zinc/10/04/97/641100497.db2.gz HXGALBRIHKWGFP-JHJVBQTASA-N 1 0 226.364 1.485 10 0 BDAERO C[C@]1(c2nc(Cc3ccncc3)no2)CC[NH2+]C1 ZINC000062919280 641111997 /nfs/dbraw/zinc/11/19/97/641111997.db2.gz VBBHEDVKLOMZFA-ZDUSSCGKSA-N 1 0 244.298 1.306 10 0 BDAERO Cc1cccc([C@@H](O)CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000062968070 641112506 /nfs/dbraw/zinc/11/25/06/641112506.db2.gz YWFKCDZVCXKXER-GJZGRUSLSA-N 1 0 248.370 1.664 10 0 BDAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1N ZINC000062964208 641116190 /nfs/dbraw/zinc/11/61/90/641116190.db2.gz JWYQPDIMSPHAST-GFCCVEGCSA-N 1 0 247.342 1.353 10 0 BDAERO CCCCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084522 641127685 /nfs/dbraw/zinc/12/76/85/641127685.db2.gz DVGJHXBFTAOOTM-JTQLQIEISA-N 1 0 223.320 1.954 10 0 BDAERO CCOCCc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084433 641127879 /nfs/dbraw/zinc/12/78/79/641127879.db2.gz SKSSELBZIKLQJL-SNVBAGLBSA-N 1 0 239.319 1.191 10 0 BDAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000088003808 641223240 /nfs/dbraw/zinc/22/32/40/641223240.db2.gz CAIGCUNTFSCTKF-DTWKUNHWSA-N 1 0 242.344 1.207 10 0 BDAERO CC(C)CNC(=O)Nc1nc(C[NH3+])cs1 ZINC000675074265 641325540 /nfs/dbraw/zinc/32/55/40/641325540.db2.gz ZCHAXEHMBKVNGN-UHFFFAOYSA-N 1 0 228.321 1.379 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2ccncn2)no1 ZINC000156311563 641605983 /nfs/dbraw/zinc/60/59/83/641605983.db2.gz DRGJMRLMGJZKSM-DTWKUNHWSA-N 1 0 245.286 1.369 10 0 BDAERO O=C(NCCC1CCC1)[C@H]1CCC[NH2+]C1 ZINC000157682037 641623099 /nfs/dbraw/zinc/62/30/99/641623099.db2.gz WMIRWECMODHTEW-NSHDSACASA-N 1 0 210.321 1.292 10 0 BDAERO CSC(C)(C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000158801936 641652583 /nfs/dbraw/zinc/65/25/83/641652583.db2.gz NVDPQWRYGWJHAA-UWVGGRQHSA-N 1 0 244.404 1.619 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1ccncc1 ZINC000089454462 641765211 /nfs/dbraw/zinc/76/52/11/641765211.db2.gz WLFIZLIGLXNWCF-CHWSQXEVSA-N 1 0 247.342 1.115 10 0 BDAERO C[C@@H]([NH2+]Cc1ccc(F)nc1)[C@@H]1CCCO1 ZINC000188987746 641782028 /nfs/dbraw/zinc/78/20/28/641782028.db2.gz FIZURGSHMTXLRD-KOLCDFICSA-N 1 0 224.279 1.878 10 0 BDAERO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccccc1O ZINC000189099180 641785776 /nfs/dbraw/zinc/78/57/76/641785776.db2.gz OOUAGZAOVDVIOP-SNVBAGLBSA-N 1 0 234.299 1.103 10 0 BDAERO COC(=O)/C(C)=C/C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324641775 641885062 /nfs/dbraw/zinc/88/50/62/641885062.db2.gz XPMCUBXOTOICQK-OLKPEBQYSA-N 1 0 229.320 1.102 10 0 BDAERO CN1CCO[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000078641594 641941053 /nfs/dbraw/zinc/94/10/53/641941053.db2.gz JNELHNGOOMKAJY-CQSZACIVSA-N 1 0 234.343 1.149 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000077331165 642375568 /nfs/dbraw/zinc/37/55/68/642375568.db2.gz MHQZVEAEXKMAFD-LLVKDONJSA-N 1 0 220.316 1.874 10 0 BDAERO c1ccc(N2CC[C@]3(C2)CCCC[NH2+]3)nc1 ZINC000257652463 642487540 /nfs/dbraw/zinc/48/75/40/642487540.db2.gz AJKMPFWEFVCJHM-ZDUSSCGKSA-N 1 0 217.316 1.804 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1ccccc1)C(N)=O ZINC000041041939 642509242 /nfs/dbraw/zinc/50/92/42/642509242.db2.gz CSDMAPGPCQYXCM-LLVKDONJSA-N 1 0 206.289 1.286 10 0 BDAERO C[C@@H]([NH2+]Cc1occc1Br)[C@H](C)O ZINC000308272583 642520002 /nfs/dbraw/zinc/52/00/02/642520002.db2.gz SWLGDFULZZJZQM-RQJHMYQMSA-N 1 0 248.120 1.901 10 0 BDAERO CCCCCC[C@](C)(C[NH3+])OCCO ZINC000232936582 642576190 /nfs/dbraw/zinc/57/61/90/642576190.db2.gz ZCRQFUBPTGWUFW-LLVKDONJSA-N 1 0 203.326 1.683 10 0 BDAERO CC[C@@H](C)C[C@](CC)(C[NH3+])OCCO ZINC000233831239 642699361 /nfs/dbraw/zinc/69/93/61/642699361.db2.gz GAVFFPDLUYYBMP-GHMZBOCLSA-N 1 0 203.326 1.539 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237546068 642714248 /nfs/dbraw/zinc/71/42/48/642714248.db2.gz NHICECBHLQZPSB-YPMHNXCESA-N 1 0 232.327 1.425 10 0 BDAERO [NH3+]C[C@H]1c2ccccc2CCN1C[C@@H]1CCCO1 ZINC000069311629 642849840 /nfs/dbraw/zinc/84/98/40/642849840.db2.gz NTPCMBMKRDTZSB-ZFWWWQNUSA-N 1 0 246.354 1.724 10 0 BDAERO Cc1ccnc(N2CCC[C@@H](C)[C@@H]2C[NH3+])n1 ZINC000069727435 642898185 /nfs/dbraw/zinc/89/81/85/642898185.db2.gz OKRGVTVFIKUYNV-KOLCDFICSA-N 1 0 220.320 1.349 10 0 BDAERO c1cc(COC2C[NH2+]C2)cc2c1CCC2 ZINC000070063455 642962722 /nfs/dbraw/zinc/96/27/22/642962722.db2.gz FHFPTLIWJFCEOZ-UHFFFAOYSA-N 1 0 203.285 1.664 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1COc2ccccc21 ZINC000070530553 643033714 /nfs/dbraw/zinc/03/37/14/643033714.db2.gz PBRKFJLGWNGWSS-VXGBXAGGSA-N 1 0 248.326 1.610 10 0 BDAERO O=C1C[C@H]([NH2+][C@@H]2COc3ccccc32)CCCN1 ZINC000070529509 643033800 /nfs/dbraw/zinc/03/38/00/643033800.db2.gz QOVHCFHGCYAGRG-ZYHUDNBSSA-N 1 0 246.310 1.378 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000071373071 643133897 /nfs/dbraw/zinc/13/38/97/643133897.db2.gz GZOSZBFGYZNFBA-OLZOCXBDSA-N 1 0 245.326 1.727 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1CCCCCCO ZINC000175774631 643280405 /nfs/dbraw/zinc/28/04/05/643280405.db2.gz ZIAAOTQCPASZFA-VXGBXAGGSA-N 1 0 215.337 1.648 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[Si](C)(C)C ZINC000306923638 643290519 /nfs/dbraw/zinc/29/05/19/643290519.db2.gz GJNQBUREBGJHCY-IUCAKERBSA-N 1 0 214.385 1.121 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CSC1(C)C ZINC000306950223 643300034 /nfs/dbraw/zinc/30/00/34/643300034.db2.gz YDSVYWFLBZATAV-LPEHRKFASA-N 1 0 214.378 1.611 10 0 BDAERO CC1(C)C[C@@]2(CO1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757141955 643303382 /nfs/dbraw/zinc/30/33/82/643303382.db2.gz ASBYEVPLVMPTNN-ZYHUDNBSSA-N 1 0 211.305 1.528 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000306486084 643329373 /nfs/dbraw/zinc/32/93/73/643329373.db2.gz OCNXXDZOIXNISL-ZYHUDNBSSA-N 1 0 225.332 1.918 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cccc(F)c1F ZINC000082522855 643334625 /nfs/dbraw/zinc/33/46/25/643334625.db2.gz SZQXFDYPSDEMOG-QMMMGPOBSA-N 1 0 215.199 1.528 10 0 BDAERO CC[C@H]([NH3+])CS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000757149522 643336443 /nfs/dbraw/zinc/33/64/43/643336443.db2.gz DDSNDWJWGMLIQO-MXWKQRLJSA-N 1 0 248.392 1.031 10 0 BDAERO CC[C@@H]1CC[NH2+][C@@]2(CCCSC2)O1 ZINC000757149631 643336879 /nfs/dbraw/zinc/33/68/79/643336879.db2.gz WRXDSGDCNYRPRA-ZJUUUORDSA-N 1 0 201.335 1.998 10 0 BDAERO CC[C@H](C)c1noc(C[C@H]([NH3+])C2CC2)n1 ZINC000082563175 643342578 /nfs/dbraw/zinc/34/25/78/643342578.db2.gz WMJKETWWYFZRTL-CBAPKCEASA-N 1 0 209.293 1.863 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1cnc2ccccc2n1 ZINC000082592641 643352147 /nfs/dbraw/zinc/35/21/47/643352147.db2.gz BINFDSFOBNNZQS-SECBINFHSA-N 1 0 216.288 1.413 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@]12CCSC2 ZINC000757183246 643359283 /nfs/dbraw/zinc/35/92/83/643359283.db2.gz ADQNBQLXGZSKAK-JOYOIKCWSA-N 1 0 243.372 1.671 10 0 BDAERO CC[C@H]1CC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400446721 643388371 /nfs/dbraw/zinc/38/83/71/643388371.db2.gz IBBXGJGHMQXGGZ-CABZTGNLSA-N 1 0 205.305 1.961 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H](C2(C[NH3+])CC2)C1 ZINC000083339317 643434446 /nfs/dbraw/zinc/43/44/46/643434446.db2.gz AFJGFQNSAJLARW-JTQLQIEISA-N 1 0 240.347 1.982 10 0 BDAERO Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)cs1 ZINC000336655976 643442182 /nfs/dbraw/zinc/44/21/82/643442182.db2.gz OEANNUJMRSWFJT-FXQIFTODSA-N 1 0 214.334 1.871 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000083454164 643453924 /nfs/dbraw/zinc/45/39/24/643453924.db2.gz AAPARUNKIXGEIC-SECBINFHSA-N 1 0 239.706 1.103 10 0 BDAERO CC(C)n1nccc1C[NH2+][C@@H](C)[C@H](C)O ZINC000336763681 643461027 /nfs/dbraw/zinc/46/10/27/643461027.db2.gz PJZBWZUDQRUKHN-UWVGGRQHSA-N 1 0 211.309 1.323 10 0 BDAERO Cc1cccc(OCCc2nc(CC[NH3+])no2)c1 ZINC000041201702 643492576 /nfs/dbraw/zinc/49/25/76/643492576.db2.gz PDOSZIOWDMFLOW-UHFFFAOYSA-N 1 0 247.298 1.501 10 0 BDAERO c1nc(-c2noc([C@@H]3CCC[NH2+]3)n2)cs1 ZINC000083307277 643530249 /nfs/dbraw/zinc/53/02/49/643530249.db2.gz SGBDMYCEGMOHIK-LURJTMIESA-N 1 0 222.273 1.618 10 0 BDAERO CO[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000083526577 643536397 /nfs/dbraw/zinc/53/63/97/643536397.db2.gz RXLCQOZJTCRFOA-SDDRHHMPSA-N 1 0 213.321 1.713 10 0 BDAERO CCOCCC[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000083551357 643537190 /nfs/dbraw/zinc/53/71/90/643537190.db2.gz RFXFZYDDKCPCQZ-LBPRGKRZSA-N 1 0 213.321 1.714 10 0 BDAERO C[C@H]([NH2+]CCc1ccccc1)C(C)(C)O ZINC000083725029 643542682 /nfs/dbraw/zinc/54/26/82/643542682.db2.gz WEWYWSHYBQESMR-NSHDSACASA-N 1 0 207.317 1.978 10 0 BDAERO Cc1cc(N[C@@H](C)[C@H]2CCCO2)nc(N)[nH+]1 ZINC000046015525 643567435 /nfs/dbraw/zinc/56/74/35/643567435.db2.gz OVAHJXWHKCNNEX-DTWKUNHWSA-N 1 0 222.292 1.347 10 0 BDAERO CC(C)[C@H]([NH3+])c1noc(-c2cnns2)n1 ZINC000083592932 643591176 /nfs/dbraw/zinc/59/11/76/643591176.db2.gz KIIKQGOQJQCRJE-LURJTMIESA-N 1 0 225.277 1.244 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH3+])[C@H](OC)CC2 ZINC000086119291 643628355 /nfs/dbraw/zinc/62/83/55/643628355.db2.gz GLKZLMXELQFUOC-VXGBXAGGSA-N 1 0 207.273 1.656 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]CC1(O)CCCCC1 ZINC000084237596 643652620 /nfs/dbraw/zinc/65/26/20/643652620.db2.gz DAFNKSKILISHSN-RYUDHWBXSA-N 1 0 227.348 1.432 10 0 BDAERO C[C@H]([NH3+])CN(C)c1nc2ccccc2[nH]1 ZINC000074204853 643653058 /nfs/dbraw/zinc/65/30/58/643653058.db2.gz ZQDVODBOKNTKHY-QMMMGPOBSA-N 1 0 204.277 1.346 10 0 BDAERO Cc1nn(C)c(C[NH2+][C@@H]2C[C@H]2C)c1Cl ZINC000084270711 643655330 /nfs/dbraw/zinc/65/53/30/643655330.db2.gz PFTBUJLQJIGNJK-HTRCEHHLSA-N 1 0 213.712 1.880 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCC(F)(F)F ZINC000084301467 643657426 /nfs/dbraw/zinc/65/74/26/643657426.db2.gz XBEQKTXWTMBVKG-YUMQZZPRSA-N 1 0 238.253 1.430 10 0 BDAERO C[C@@H](CCO)C[NH2+]CCc1ccccc1 ZINC000085126811 643684518 /nfs/dbraw/zinc/68/45/18/643684518.db2.gz BDANIALDDDTDOH-LBPRGKRZSA-N 1 0 207.317 1.837 10 0 BDAERO CN1CCO[C@H](C[NH2+]CC2(C)CCCC2)C1 ZINC000086005523 643882184 /nfs/dbraw/zinc/88/21/84/643882184.db2.gz VDSNJGATQKTCJJ-GFCCVEGCSA-N 1 0 226.364 1.487 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CCC(C)(C)O)C1 ZINC000086236475 643962616 /nfs/dbraw/zinc/96/26/16/643962616.db2.gz AQASJMHGAUXDDO-NSHDSACASA-N 1 0 213.321 1.448 10 0 BDAERO CC[C@H]([NH2+]CCC[S@](C)=O)[C@H]1C[C@@H]1C ZINC000321913149 644180847 /nfs/dbraw/zinc/18/08/47/644180847.db2.gz PXEXRZIYIGWWSK-RMIALFOJSA-N 1 0 217.378 1.779 10 0 BDAERO CC[C@H]([NH2+]CCC[S@](C)=O)[C@H]1C[C@H]1C ZINC000321913151 644181814 /nfs/dbraw/zinc/18/18/14/644181814.db2.gz PXEXRZIYIGWWSK-ZHPDPMBESA-N 1 0 217.378 1.779 10 0 BDAERO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCCCC1 ZINC000193204627 644223935 /nfs/dbraw/zinc/22/39/35/644223935.db2.gz MZTXUACJVJUKOG-VXGBXAGGSA-N 1 0 248.326 1.381 10 0 BDAERO CCN(CC)[C@@H](C)C[NH2+]C[C@H]1CCC=CO1 ZINC000194194994 644308299 /nfs/dbraw/zinc/30/82/99/644308299.db2.gz QBONNLSYLRYJIK-QWHCGFSZSA-N 1 0 226.364 1.999 10 0 BDAERO COCc1noc([C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000084300354 644423963 /nfs/dbraw/zinc/42/39/63/644423963.db2.gz MQZSKULYRRGMIW-RKDXNWHRSA-N 1 0 225.292 1.449 10 0 BDAERO CC(C)(CO)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085173049 644436186 /nfs/dbraw/zinc/43/61/86/644436186.db2.gz XCRGFVNGRGNLSZ-UHFFFAOYSA-N 1 0 237.347 1.859 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ccnc(N(C)C)n1 ZINC000085432133 644441151 /nfs/dbraw/zinc/44/11/51/644441151.db2.gz ZILGEQIQOOKMCQ-LLVKDONJSA-N 1 0 249.362 1.121 10 0 BDAERO COc1csc(-c2nc([C@@H](C)C[NH3+])no2)c1 ZINC000088032595 644507829 /nfs/dbraw/zinc/50/78/29/644507829.db2.gz QOBLUGVXKYEZIQ-LURJTMIESA-N 1 0 239.300 1.869 10 0 BDAERO [NH3+]CCCCCCC(=O)NC[C@@H]1CCC[C@@H]1O ZINC000089169890 644537845 /nfs/dbraw/zinc/53/78/45/644537845.db2.gz RSIBUWIBSMCWPB-RYUDHWBXSA-N 1 0 242.363 1.173 10 0 BDAERO COc1ncccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091542037 644629481 /nfs/dbraw/zinc/62/94/81/644629481.db2.gz YXEOWFLQPGAXKI-BDAKNGLRSA-N 1 0 235.287 1.156 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094937368 644735765 /nfs/dbraw/zinc/73/57/65/644735765.db2.gz YCWDMYWBAKDLSH-IUCAKERBSA-N 1 0 247.302 1.692 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(Cl)nc1Cl ZINC000095638703 644761675 /nfs/dbraw/zinc/76/16/75/644761675.db2.gz LHJCRNANLPBZLM-ZCFIWIBFSA-N 1 0 221.087 1.771 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1ccncc1Cl ZINC000095638116 644761776 /nfs/dbraw/zinc/76/17/76/644761776.db2.gz FHMWHZHZVRKSQV-MRVPVSSYSA-N 1 0 214.652 1.298 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccncc1Cl ZINC000095638415 644762428 /nfs/dbraw/zinc/76/24/28/644762428.db2.gz FHMWHZHZVRKSQV-QMMMGPOBSA-N 1 0 214.652 1.298 10 0 BDAERO C[NH2+][C@@H]1CCN([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000250705283 644776859 /nfs/dbraw/zinc/77/68/59/644776859.db2.gz DSSIJUVNKPLREL-MCIONIFRSA-N 1 0 216.328 1.836 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000251084589 644792647 /nfs/dbraw/zinc/79/26/47/644792647.db2.gz IUEZSGUTPSTKSO-MAUMQABQSA-N 1 0 207.277 1.645 10 0 BDAERO CN(CC(F)(F)C(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000303744237 644842086 /nfs/dbraw/zinc/84/20/86/644842086.db2.gz RRBQHJAVCCBMNU-MRVPVSSYSA-N 1 0 242.260 1.961 10 0 BDAERO CSCC[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252687183 644880635 /nfs/dbraw/zinc/88/06/35/644880635.db2.gz KVGYLBKKZYSFQI-GARJFASQSA-N 1 0 244.404 1.619 10 0 BDAERO CO[C@H]1CCC[C@H]1[NH2+]CCn1cc(C)cn1 ZINC000304309548 644889717 /nfs/dbraw/zinc/88/97/17/644889717.db2.gz ASZVDJYATJFALU-NEPJUHHUSA-N 1 0 223.320 1.349 10 0 BDAERO C[C@@]1(c2nc(CC3CCC3)no2)CC[NH2+]C1 ZINC000304577665 644918267 /nfs/dbraw/zinc/91/82/67/644918267.db2.gz JBPRRIOTJXBDOC-GFCCVEGCSA-N 1 0 221.304 1.663 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(CC2CCC2)no1 ZINC000304575355 644918271 /nfs/dbraw/zinc/91/82/71/644918271.db2.gz ISGLUSKUVYLHPK-PSASIEDQSA-N 1 0 221.304 1.735 10 0 BDAERO C[C@@H]1CCN(c2cncc(Cl)n2)C[C@H]1C[NH3+] ZINC000253183087 644941482 /nfs/dbraw/zinc/94/14/82/644941482.db2.gz GFTJJIVSXLTONP-RKDXNWHRSA-N 1 0 240.738 1.551 10 0 BDAERO Cc1nsc(N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723883731 711543334 /nfs/dbraw/zinc/54/33/34/711543334.db2.gz PIUWFXHWIRHNMO-VXNVDRBHSA-N 1 0 226.349 1.268 10 0 BDAERO CC[C@H](C)c1noc([C@]2(C)C[C@@H](OC)C[NH2+]2)n1 ZINC000702720350 712060140 /nfs/dbraw/zinc/06/01/40/712060140.db2.gz SPGUNZPAAWBBMO-SBMIAAHKSA-N 1 0 239.319 1.807 10 0 BDAERO CC[C@H](C)c1noc([C@@]2(C)C[C@H](OC)C[NH2+]2)n1 ZINC000702720347 712059919 /nfs/dbraw/zinc/05/99/19/712059919.db2.gz SPGUNZPAAWBBMO-HOTUBEGUSA-N 1 0 239.319 1.807 10 0 BDAERO CCCCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000706758080 712154676 /nfs/dbraw/zinc/15/46/76/712154676.db2.gz UZGIZEBRFQTEFM-SRVKXCTJSA-N 1 0 215.337 1.695 10 0 BDAERO Cc1nccnc1N(C)CCCCCC[NH3+] ZINC000710759538 712256448 /nfs/dbraw/zinc/25/64/48/712256448.db2.gz NZMILFRHKMWEQT-UHFFFAOYSA-N 1 0 222.336 1.740 10 0 BDAERO CC[C@@]1(O)CCC[N@H+](CC2CC(OC)C2)C1 ZINC000710662981 712265254 /nfs/dbraw/zinc/26/52/54/712265254.db2.gz UUVYETOSWJAYCL-WXRRBKDZSA-N 1 0 227.348 1.648 10 0 BDAERO COC1(OC)CC[C@H]1[NH2+][C@@H](C)C(C)C ZINC000710955434 712267910 /nfs/dbraw/zinc/26/79/10/712267910.db2.gz CIDFORIDVWOXFN-VHSXEESVSA-N 1 0 201.310 1.772 10 0 BDAERO OCC1CC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711006648 712274591 /nfs/dbraw/zinc/27/45/91/712274591.db2.gz BVQFKGWCERJCQL-RQEIOUPZSA-N 1 0 209.333 1.926 10 0 BDAERO CC[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000711110465 712281488 /nfs/dbraw/zinc/28/14/88/712281488.db2.gz QJINKFXKUNIPKY-GRYCIOLGSA-N 1 0 213.321 1.570 10 0 BDAERO COC(=O)CC[N@H+](C)C1(CN)CCCCC1 ZINC000713350587 712458524 /nfs/dbraw/zinc/45/85/24/712458524.db2.gz CNPWVXLGHQIATP-UHFFFAOYSA-N 1 0 228.336 1.143 10 0 BDAERO COCC1CC([NH2+]Cc2ccc(CO)o2)C1 ZINC000713915852 712472876 /nfs/dbraw/zinc/47/28/76/712472876.db2.gz HWCHOXWPZKVDDN-UHFFFAOYSA-N 1 0 225.288 1.287 10 0 BDAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CO[C@H](C[NH3+])C1 ZINC000713823269 712472960 /nfs/dbraw/zinc/47/29/60/712472960.db2.gz SPBDMMLWVFOAJF-RHYQMDGZSA-N 1 0 240.347 1.045 10 0 BDAERO COCC1CC([NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000714004978 712476918 /nfs/dbraw/zinc/47/69/18/712476918.db2.gz DRZHFXSLKPXEKC-WHXUTIOJSA-N 1 0 215.337 1.815 10 0 BDAERO COCC1CC([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000713994983 712477150 /nfs/dbraw/zinc/47/71/50/712477150.db2.gz CRMWFIAPJAVPGA-AMDVSUOASA-N 1 0 241.253 1.314 10 0 BDAERO CC(C)c1noc([C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714078382 712477856 /nfs/dbraw/zinc/47/78/56/712477856.db2.gz XKXDMMGLQAHOMA-SFYZADRCSA-N 1 0 211.265 1.024 10 0 BDAERO Cn1cc(Cl)cc1C(=O)NCC1CC([NH3+])C1 ZINC000715091101 712507880 /nfs/dbraw/zinc/50/78/80/712507880.db2.gz FXIGDLXCAVUOPJ-UHFFFAOYSA-N 1 0 241.722 1.146 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ncnc3c2CCC3)C1 ZINC000715146631 712512330 /nfs/dbraw/zinc/51/23/30/712512330.db2.gz OOZDPUXBZFKQPO-DTORHVGOSA-N 1 0 218.304 1.115 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1[NH3+] ZINC000715505601 712523696 /nfs/dbraw/zinc/52/36/96/712523696.db2.gz XZKGNJBYVQSIEK-IXOXFDKPSA-N 1 0 224.348 1.223 10 0 BDAERO COC1(C[NH2+]C2CC(C(N)=O)C2)CCCCC1 ZINC000716704584 712570321 /nfs/dbraw/zinc/57/03/21/712570321.db2.gz DSAKERNUKHSAHW-UHFFFAOYSA-N 1 0 240.347 1.189 10 0 BDAERO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CCCC[C@H]1O ZINC000716876870 712579814 /nfs/dbraw/zinc/57/98/14/712579814.db2.gz SBHOYJPLWQWSAW-IRCOFANPSA-N 1 0 215.337 1.429 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]1CC(C)(C)CO1 ZINC000717091505 712630031 /nfs/dbraw/zinc/63/00/31/712630031.db2.gz LTVBUBULQHXMMD-OUAUKWLOSA-N 1 0 240.347 1.140 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000380018960 712671290 /nfs/dbraw/zinc/67/12/90/712671290.db2.gz VLPPIBPKGRKQQZ-LRHRNSLUSA-N 1 0 219.275 1.923 10 0 BDAERO COCC(C)(C)CC[NH2+]CC(C)(C)O ZINC000718706809 712778320 /nfs/dbraw/zinc/77/83/20/712778320.db2.gz HCEPYKCEPBGXOM-UHFFFAOYSA-N 1 0 203.326 1.410 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000037888264 712780983 /nfs/dbraw/zinc/78/09/83/712780983.db2.gz WPCVWAOHRVJPSG-LLVKDONJSA-N 1 0 245.269 1.359 10 0 BDAERO C[NH2+][C@H](C)CNc1ccnc2ncccc12 ZINC000718988049 712792470 /nfs/dbraw/zinc/79/24/70/712792470.db2.gz XVXJMXDLORZLNO-SECBINFHSA-N 1 0 216.288 1.650 10 0 BDAERO C[NH2+]CCCCC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000719713851 712823364 /nfs/dbraw/zinc/82/33/64/712823364.db2.gz CAVBVDGYIIBDFT-QWRGUYRKSA-N 1 0 228.336 1.060 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000720964278 712883639 /nfs/dbraw/zinc/88/36/39/712883639.db2.gz RGDCVABIJYQHHO-ZNSHCXBVSA-N 1 0 210.321 1.003 10 0 BDAERO CSCCCCc1nc([C@@H](C)C[NH3+])no1 ZINC000381342417 710625592 /nfs/dbraw/zinc/62/55/92/710625592.db2.gz XWCRGCYXDCYIBV-QMMMGPOBSA-N 1 0 229.349 1.818 10 0 BDAERO CC(C)[C@H](C)NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000722553856 710715926 /nfs/dbraw/zinc/71/59/26/710715926.db2.gz LBDAOBTXXQUVCM-OUAUKWLOSA-N 1 0 212.337 1.393 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000724385353 710739780 /nfs/dbraw/zinc/73/97/80/710739780.db2.gz NRANJQVEYQLMMJ-PEBLQZBPSA-N 1 0 241.375 1.893 10 0 BDAERO c1cc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cnc[nH]1 ZINC000381201762 710609292 /nfs/dbraw/zinc/60/92/92/710609292.db2.gz FJYQQXAKVYQCJS-LBPRGKRZSA-N 1 0 216.288 1.905 10 0 BDAERO COC[C@H](C[N@@H+]1CCC[C@@H](O)[C@@H]1C)C(C)C ZINC000721990195 710694114 /nfs/dbraw/zinc/69/41/14/710694114.db2.gz QYPXWOYOQSNZOX-RWMBFGLXSA-N 1 0 229.364 1.750 10 0 BDAERO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000723094375 710725598 /nfs/dbraw/zinc/72/55/98/710725598.db2.gz QMCLURNXYSEHCX-VLEAKVRGSA-N 1 0 210.321 1.289 10 0 BDAERO CC(C)NC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724461430 710740516 /nfs/dbraw/zinc/74/05/16/710740516.db2.gz WTOZRQJRKJLVPD-JGPRNRPPSA-N 1 0 227.352 1.712 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2CCO[C@H]2C)n1 ZINC000252660096 711448732 /nfs/dbraw/zinc/44/87/32/711448732.db2.gz PVLRUIPJWVORTM-GJMOJQLCSA-N 1 0 211.265 1.024 10 0 BDAERO CN1C[C@@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)CC1=O ZINC000722754274 711470171 /nfs/dbraw/zinc/47/01/71/711470171.db2.gz QXQWFFASJDKYMP-MFKMUULPSA-N 1 0 238.375 1.879 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)[C@H]1CCCOC1 ZINC000723989178 711550963 /nfs/dbraw/zinc/55/09/63/711550963.db2.gz TVFFUZOIXWZAJS-MJBXVCDLSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1cnc(C[NH2+][C@H]2CCO[C@@H]2C)c(C)c1 ZINC000724023305 711556886 /nfs/dbraw/zinc/55/68/86/711556886.db2.gz MUYPNWOEQDVELX-NEPJUHHUSA-N 1 0 220.316 1.965 10 0 BDAERO c1ccc(CC[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000724543642 711588352 /nfs/dbraw/zinc/58/83/52/711588352.db2.gz OEUFYWDBQWVCGZ-ILXRZTDVSA-N 1 0 247.338 1.623 10 0 BDAERO CC(C)C1([NH2+]CCO[C@@H]2CCOC2)CC1 ZINC000724986992 711640811 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ZINC000701922633 712033250 /nfs/dbraw/zinc/03/32/50/712033250.db2.gz PUWMYKDQSRWSSY-ZCFIWIBFSA-N 1 0 200.673 1.150 10 0 BDAERO FCCOCC[NH2+]CCc1ccccc1 ZINC000702634090 712058155 /nfs/dbraw/zinc/05/81/55/712058155.db2.gz ZNUBONVNVAPXJA-UHFFFAOYSA-N 1 0 211.280 1.805 10 0 BDAERO CO[C@@H]1C[NH2+][C@](C)(c2nc([C@@H]3C[C@H]3C)no2)C1 ZINC000702715258 712059829 /nfs/dbraw/zinc/05/98/29/712059829.db2.gz BUKAAZIJXJMAJR-SREGZZRCSA-N 1 0 237.303 1.417 10 0 BDAERO CO[C@H]1C[NH2+][C@](C)(c2nc(CC(C)C)no2)C1 ZINC000702718700 712059954 /nfs/dbraw/zinc/05/99/54/712059954.db2.gz MQVBKGSGFVSNIQ-SKDRFNHKSA-N 1 0 239.319 1.492 10 0 BDAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(CC3CC3)no2)C1 ZINC000702721077 712060693 /nfs/dbraw/zinc/06/06/93/712060693.db2.gz WSMMLMBHTHDFTB-BXKDBHETSA-N 1 0 237.303 1.246 10 0 BDAERO OCC1CC([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000705187312 712125668 /nfs/dbraw/zinc/12/56/68/712125668.db2.gz OVEHYRDPDMTNKS-UHFFFAOYSA-N 1 0 225.263 1.392 10 0 BDAERO CC1(C)CN(c2ncnc3[nH]ccc32)C[C@H]1[NH3+] ZINC000705260361 712126927 /nfs/dbraw/zinc/12/69/27/712126927.db2.gz JOSMNFRDQAYISK-SECBINFHSA-N 1 0 231.303 1.131 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCCCCO ZINC000705304217 712127721 /nfs/dbraw/zinc/12/77/21/712127721.db2.gz CKSPFUODABNGLU-VXGBXAGGSA-N 1 0 215.337 1.384 10 0 BDAERO COC1CC(C[N@@H+]2CCNC[C@@H]2C(C)C)C1 ZINC000705503115 712132039 /nfs/dbraw/zinc/13/20/39/712132039.db2.gz VFLKVVQIIFCLRQ-WXRRBKDZSA-N 1 0 226.364 1.341 10 0 BDAERO CSC1CC([NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000706920430 712160806 /nfs/dbraw/zinc/16/08/06/712160806.db2.gz XCVHJYRSTCLELM-UHFFFAOYSA-N 1 0 249.401 1.047 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@]23C[C@@H]2CCCC3)C[C@H]1C[NH3+] ZINC000708063178 712173137 /nfs/dbraw/zinc/17/31/37/712173137.db2.gz HTCVZILEVWHADI-NMKXLXIOSA-N 1 0 236.359 1.620 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C[C@H]1CO ZINC000708685666 712196831 /nfs/dbraw/zinc/19/68/31/712196831.db2.gz DQLGNDTZFLDAON-PEBLQZBPSA-N 1 0 239.359 1.504 10 0 BDAERO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)sn1 ZINC000708685698 712196899 /nfs/dbraw/zinc/19/68/99/712196899.db2.gz FMNZXMXEUWQKFG-BDAKNGLRSA-N 1 0 242.344 1.212 10 0 BDAERO C[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1CO ZINC000708685547 712196952 /nfs/dbraw/zinc/19/69/52/712196952.db2.gz AUTOPSRPYQQFTF-UPJWGTAASA-N 1 0 227.348 1.363 10 0 BDAERO CC/C=C(\C)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708828098 712200089 /nfs/dbraw/zinc/20/00/89/712200089.db2.gz LHBUQRAVVLNUTF-VREQRIBMSA-N 1 0 210.321 1.396 10 0 BDAERO C[C@H]1CN(Cc2cccnc2Cl)C[C@@H]1C[NH3+] ZINC000708894083 712202468 /nfs/dbraw/zinc/20/24/68/712202468.db2.gz PTRQBCUXJWLLHF-ONGXEEELSA-N 1 0 239.750 1.762 10 0 BDAERO C[C@@H]1CN(Cc2cccnc2Cl)C[C@@H]1C[NH3+] ZINC000708894077 712202690 /nfs/dbraw/zinc/20/26/90/712202690.db2.gz PTRQBCUXJWLLHF-KOLCDFICSA-N 1 0 239.750 1.762 10 0 BDAERO C[C@@H](C[N@@H+]1CCO[C@@H](CO)C1)CC(C)(C)C ZINC000709161762 712211141 /nfs/dbraw/zinc/21/11/41/712211141.db2.gz HLKSTASQVITBGF-VXGBXAGGSA-N 1 0 229.364 1.752 10 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VGTSFVVVRXATPU-AEJSXWLSSA-N 1 0 243.314 1.274 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cn(C)cn1 ZINC000709895105 712231245 /nfs/dbraw/zinc/23/12/45/712231245.db2.gz FLTDGAIBHOBEGZ-TUAOUCFPSA-N 1 0 237.347 1.622 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCc1ccns1 ZINC000709935346 712233743 /nfs/dbraw/zinc/23/37/43/712233743.db2.gz TZWMDYCXTNQKFX-JTQLQIEISA-N 1 0 228.361 1.682 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2ncnc(F)c2C)C1 ZINC000710168530 712246876 /nfs/dbraw/zinc/24/68/76/712246876.db2.gz YRZAUNPOBPKHDQ-SNVBAGLBSA-N 1 0 238.310 1.820 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1cncc2ccccc21 ZINC000710392512 712253120 /nfs/dbraw/zinc/25/31/20/712253120.db2.gz SGDWZGQSMXLWQQ-CYBMUJFWSA-N 1 0 241.294 1.213 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710997931 712274015 /nfs/dbraw/zinc/27/40/15/712274015.db2.gz DEBOOXDFJBUFRA-KIJLLGNVSA-N 1 0 236.359 1.822 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](CF)C1 ZINC000711449028 712302094 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712459544 /nfs/dbraw/zinc/45/95/44/712459544.db2.gz OAKAXFZHYMMLBV-SECBINFHSA-N 1 0 241.253 1.617 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCOC(F)(F)F ZINC000713448644 712460910 /nfs/dbraw/zinc/46/09/10/712460910.db2.gz XPPVXMPRYZDDBM-IUCAKERBSA-N 1 0 241.253 1.758 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2CO[C@@H](C[NH3+])C2)c1C ZINC000713771060 712472318 /nfs/dbraw/zinc/47/23/18/712472318.db2.gz FYBCZQHQRSZQDZ-VXGBXAGGSA-N 1 0 248.326 1.606 10 0 BDAERO CCc1ccccc1NC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713786351 712472553 /nfs/dbraw/zinc/47/25/53/712472553.db2.gz WPTFRZGAUXWRDL-NEPJUHHUSA-N 1 0 248.326 1.551 10 0 BDAERO CC(C)CC[C@H](C)NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713806974 712472825 /nfs/dbraw/zinc/47/28/25/712472825.db2.gz XBGWIWRUOZJXGK-QJPTWQEYSA-N 1 0 242.363 1.291 10 0 BDAERO CC[C@@H]1COC[C@@H]1[NH2+]C1CC(COC)C1 ZINC000713983908 712475923 /nfs/dbraw/zinc/47/59/23/712475923.db2.gz GSHLRFDLWIZETO-RSJDFQLWSA-N 1 0 213.321 1.426 10 0 BDAERO [NH3+]C[C@H]1CCCN1C(=O)C[C@@H]1CCCC1(F)F ZINC000713984954 712475946 /nfs/dbraw/zinc/47/59/46/712475946.db2.gz RSKBEDUGEOAWOO-VHSXEESVSA-N 1 0 246.301 1.762 10 0 BDAERO COCC1CC(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000713983532 712476102 /nfs/dbraw/zinc/47/61/02/712476102.db2.gz NOZCYOKIBCPCTM-HBIQZDMRSA-N 1 0 242.363 1.147 10 0 BDAERO C[C@H]([NH3+])CCNC(=O)C[C@H]1CCCC1(F)F ZINC000713987313 712476573 /nfs/dbraw/zinc/47/65/73/712476573.db2.gz GOPSYHGCBHPZTQ-DTWKUNHWSA-N 1 0 234.290 1.665 10 0 BDAERO [NH3+]C[C@H]1C[C@H](c2nc(CC3CCC3)no2)CO1 ZINC000714059727 712477990 /nfs/dbraw/zinc/47/79/90/712477990.db2.gz PCSHKTOUFFQDHV-VHSXEESVSA-N 1 0 237.303 1.243 10 0 BDAERO CC(C)Cc1noc([C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714060693 712478086 /nfs/dbraw/zinc/47/80/86/712478086.db2.gz SOSLIHULAILWFD-BDAKNGLRSA-N 1 0 225.292 1.099 10 0 BDAERO COC[C@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000714490332 712492315 /nfs/dbraw/zinc/49/23/15/712492315.db2.gz XLSUUUMEXMHSQU-OUAUKWLOSA-N 1 0 215.337 1.408 10 0 BDAERO CCC1([NH3+])CCN(c2ncnc3nc[nH]c32)CC1 ZINC000714752785 712497437 /nfs/dbraw/zinc/49/74/37/712497437.db2.gz PFGHILHLZFHCLS-UHFFFAOYSA-N 1 0 246.318 1.061 10 0 BDAERO CCC1([NH3+])CCN([C@H](C)c2cnn(C)c2)CC1 ZINC000714757641 712497670 /nfs/dbraw/zinc/49/76/70/712497670.db2.gz JCVZLURSEJNJKD-LLVKDONJSA-N 1 0 236.363 1.684 10 0 BDAERO CC1(C)C[C@H]1c1noc([C@@H]2C[C@@H]2C[NH3+])n1 ZINC000714812610 712498464 /nfs/dbraw/zinc/49/84/64/712498464.db2.gz RYALDFSAKKVWTB-PRJMDXOYSA-N 1 0 207.277 1.645 10 0 BDAERO COCC1CC([NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000715067694 712505585 /nfs/dbraw/zinc/50/55/85/712505585.db2.gz YFSSQJFOGWHVGR-ILDUYXDCSA-N 1 0 229.320 1.153 10 0 BDAERO [NH3+]C1CC(CNC(=O)/C=C\c2ccco2)C1 ZINC000715081740 712507120 /nfs/dbraw/zinc/50/71/20/712507120.db2.gz MWXGMSXAIXPINW-ARJAWSKDSA-N 1 0 220.272 1.146 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ncnc3c2CCCC3)C1 ZINC000715086373 712507666 /nfs/dbraw/zinc/50/76/66/712507666.db2.gz SVECAFJDVVZGMJ-MGCOHNPYSA-N 1 0 232.331 1.505 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccncc2Cl)C1 ZINC000715090703 712507974 /nfs/dbraw/zinc/50/79/74/712507974.db2.gz AGTGQWOCXKABNH-UHFFFAOYSA-N 1 0 239.706 1.202 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000715103901 712508970 /nfs/dbraw/zinc/50/89/70/712508970.db2.gz CAAWMDUERYGYEH-UBHSHLNASA-N 1 0 244.338 1.775 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2nc3ccccc3[nH]2)C1 ZINC000715124522 712510887 /nfs/dbraw/zinc/51/08/87/712510887.db2.gz BNUWJBGLTVETCL-DTORHVGOSA-N 1 0 216.288 1.712 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C[C@H]1CO ZINC000715406681 712516758 /nfs/dbraw/zinc/51/67/58/712516758.db2.gz YUFKJSHQRMNFKY-CABNGKKXSA-N 1 0 239.359 1.504 10 0 BDAERO Cc1c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cnn1C ZINC000715471719 712520156 /nfs/dbraw/zinc/52/01/56/712520156.db2.gz JZYMUICPUNDBPF-KGLIPLIRSA-N 1 0 249.358 1.776 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cn(C)nn1 ZINC000715892725 712540656 /nfs/dbraw/zinc/54/06/56/712540656.db2.gz NVBBGBSXBQCUHK-HBNTYKKESA-N 1 0 238.335 1.017 10 0 BDAERO CCCn1cc([C@H](C)[NH2+]CC2CC(O)C2)nn1 ZINC000715935735 712544121 /nfs/dbraw/zinc/54/41/21/712544121.db2.gz OYENSWDNDAJSRU-WHXUTIOJSA-N 1 0 238.335 1.110 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CCCS1 ZINC000715978482 712550847 /nfs/dbraw/zinc/55/08/47/712550847.db2.gz XWLHLADTEJWMSS-OUAUKWLOSA-N 1 0 242.388 1.244 10 0 BDAERO CC(C)[C@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716137760 712552053 /nfs/dbraw/zinc/55/20/53/712552053.db2.gz LMHVEWCMIISXGZ-IDKOKCKLSA-N 1 0 219.350 1.196 10 0 BDAERO C[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000716492092 712566249 /nfs/dbraw/zinc/56/62/49/712566249.db2.gz XPUODCJBKYNCHU-MJYBNVITSA-N 1 0 236.359 1.332 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2CCCSCC2)C1 ZINC000716721882 712570649 /nfs/dbraw/zinc/57/06/49/712570649.db2.gz FYTDYFSCBNYFPP-KYHHOPLUSA-N 1 0 228.361 1.126 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2coc3ccccc23)C1 ZINC000716717106 712570890 /nfs/dbraw/zinc/57/08/90/712570890.db2.gz ONLRBALJGQORAU-UHFFFAOYSA-N 1 0 244.294 1.786 10 0 BDAERO NC(=O)C1CC([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000716723863 712571044 /nfs/dbraw/zinc/57/10/44/712571044.db2.gz RSQUUTABHUBIRR-JXQTWKCFSA-N 1 0 244.338 1.991 10 0 BDAERO NC(=O)C1CC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000716733224 712571691 /nfs/dbraw/zinc/57/16/91/712571691.db2.gz YRMRAVIHKSCHNP-QZWZXBRZSA-N 1 0 222.332 1.276 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)C1CCCCC1 ZINC000716759713 712572616 /nfs/dbraw/zinc/57/26/16/712572616.db2.gz IXOZNXISVBZREF-GCVQQVDUSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H](C[NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716775317 712573135 /nfs/dbraw/zinc/57/31/35/712573135.db2.gz PVNKZSLUWWJMJM-QFWMXSHPSA-N 1 0 232.327 1.644 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cccc(F)c1 ZINC000716782688 712573186 /nfs/dbraw/zinc/57/31/86/712573186.db2.gz JGOUDVYHFPNEPI-JNHNWMDNSA-N 1 0 236.290 1.740 10 0 BDAERO C[C@H]1CN(c2nccc3cccnc32)C[C@@H]1C[NH3+] ZINC000716899720 712581024 /nfs/dbraw/zinc/58/10/24/712581024.db2.gz LYTDEXRTLQDSKR-JQWIXIFHSA-N 1 0 242.326 1.661 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2nccc3cccnc32)C1 ZINC000716900455 712581353 /nfs/dbraw/zinc/58/13/53/712581353.db2.gz QOXHPWBHPBAQRK-HOMQSWHASA-N 1 0 228.299 1.779 10 0 BDAERO Fc1cccnc1NC[C@H]1C[NH2+]CCC1(F)F ZINC000717022100 712605236 /nfs/dbraw/zinc/60/52/36/712605236.db2.gz QUPKHGHQQFTGNN-MRVPVSSYSA-N 1 0 245.248 1.877 10 0 BDAERO CC1(C)CO[C@@H](CC(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000717098466 712630739 /nfs/dbraw/zinc/63/07/39/712630739.db2.gz WXBIFNIRRFDBCX-QWRGUYRKSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(Cc2ccc(F)cc2)no1 ZINC000037453241 712638929 /nfs/dbraw/zinc/63/89/29/712638929.db2.gz TZTNLQAXJMUDHC-MRVPVSSYSA-N 1 0 235.262 1.689 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717626919 712661668 /nfs/dbraw/zinc/66/16/68/712661668.db2.gz ROODHOVSLDWGTQ-ZJUUUORDSA-N 1 0 228.336 1.045 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000717626909 712661698 /nfs/dbraw/zinc/66/16/98/712661698.db2.gz ROODHOVSLDWGTQ-UWVGGRQHSA-N 1 0 228.336 1.045 10 0 BDAERO CC(C)C(=O)N1C[C@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000380062913 712684450 /nfs/dbraw/zinc/68/44/50/712684450.db2.gz HGSQWBCXSGDOAO-GHMZBOCLSA-N 1 0 210.321 1.053 10 0 BDAERO CC(=O)[C@H]1CCC[N@@H+](CCCC(=O)N(C)C)C1 ZINC000111690110 712688285 /nfs/dbraw/zinc/68/82/85/712688285.db2.gz IVSBOZYCLPKOGI-LBPRGKRZSA-N 1 0 240.347 1.156 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000718027077 712736379 /nfs/dbraw/zinc/73/63/79/712736379.db2.gz HCHAPZRSXNZLBO-DDHJBXDOSA-N 1 0 240.347 1.188 10 0 BDAERO Cc1coc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c1 ZINC000718068326 712740817 /nfs/dbraw/zinc/74/08/17/712740817.db2.gz SXSAHWDCPGRBRP-KOLCDFICSA-N 1 0 222.288 1.345 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000037859494 712776082 /nfs/dbraw/zinc/77/60/82/712776082.db2.gz URPHQQZNEXLIKA-LLVKDONJSA-N 1 0 243.734 1.734 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccnc2ncccc21 ZINC000718981495 712790978 /nfs/dbraw/zinc/79/09/78/712790978.db2.gz KFKGTFYIDONFOI-WDEREUQCSA-N 1 0 242.326 1.816 10 0 BDAERO CC1(C)CN(c2ccnc3ncccc23)C[C@H]1[NH3+] ZINC000718983226 712791692 /nfs/dbraw/zinc/79/16/92/712791692.db2.gz NIMSSSDHMLNOOB-GFCCVEGCSA-N 1 0 242.326 1.803 10 0 BDAERO CCCc1noc(Cc2csc(C[NH3+])n2)n1 ZINC000719096817 712796865 /nfs/dbraw/zinc/79/68/65/712796865.db2.gz PXKXAFSAUPYKPF-UHFFFAOYSA-N 1 0 238.316 1.528 10 0 BDAERO CO[C@@]1(C[NH2+]C[C@H](O)C(C)(C)C)CCSC1 ZINC000719241410 712801189 /nfs/dbraw/zinc/80/11/89/712801189.db2.gz PDQGXRWNEJXDQT-CMPLNLGQSA-N 1 0 247.404 1.505 10 0 BDAERO C[C@@H](NCc1ncc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000719402617 712807571 /nfs/dbraw/zinc/80/75/71/712807571.db2.gz SSKNPCABJFESLO-HTQZYQBOSA-N 1 0 245.779 1.884 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCc1ncc(Cl)s1 ZINC000719447210 712808260 /nfs/dbraw/zinc/80/82/60/712808260.db2.gz QWDXPWRTZLOSTL-LURJTMIESA-N 1 0 247.751 1.540 10 0 BDAERO c1cnc(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cn1 ZINC000720238266 712829397 /nfs/dbraw/zinc/82/93/97/712829397.db2.gz NNEUKRKEZFCWMD-NSHDSACASA-N 1 0 248.330 1.047 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)C1(C)CC(F)(F)C1 ZINC000720466917 712845060 /nfs/dbraw/zinc/84/50/60/712845060.db2.gz RFYIOSYDBPSUAO-SSDOTTSWSA-N 1 0 220.263 1.275 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720560728 712851101 /nfs/dbraw/zinc/85/11/01/712851101.db2.gz IGGRPDFQLJLMOQ-XUXIUFHCSA-N 1 0 239.359 1.648 10 0 BDAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000720584194 712854876 /nfs/dbraw/zinc/85/48/76/712854876.db2.gz RCJBEOXCSZXPIS-IRCOFANPSA-N 1 0 240.347 1.045 10 0 BDAERO CCOc1cc(N(CC[NH2+]C)C(C)C)ncn1 ZINC000720711623 712861920 /nfs/dbraw/zinc/86/19/20/712861920.db2.gz BKRDRAIYBADWQQ-UHFFFAOYSA-N 1 0 238.335 1.310 10 0 BDAERO CC(C)(C)Cc1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000721146149 712892830 /nfs/dbraw/zinc/89/28/30/712892830.db2.gz JSOGTGUOJZIXFW-YWVKMMECSA-N 1 0 235.331 1.981 10 0 BDAERO CC[C@@H](C(=O)[O-])[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709774234 955011851 /nfs/dbraw/zinc/01/18/51/955011851.db2.gz YAZSNYMFGDLMRE-JTQLQIEISA-N 1 0 228.336 1.266 10 0 BDAERO C[NH+](C)C1(C)CC[NH+](CCCCC(=O)[O-])CC1 ZINC000709785435 955013864 /nfs/dbraw/zinc/01/38/64/955013864.db2.gz DNYAFADMZJBNPT-UHFFFAOYSA-N 1 0 242.363 1.657 10 0 BDAERO C[NH+](C)C1(C)CC[NH+]([C@H](C(=O)[O-])C2CC2)CC1 ZINC000709788291 955014104 /nfs/dbraw/zinc/01/41/04/955014104.db2.gz ZLTPINAEGPSSIO-NSHDSACASA-N 1 0 240.347 1.266 10 0 BDAERO C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396494723 968226997 /nfs/dbraw/zinc/22/69/97/968226997.db2.gz QUSDZKXDDAURRV-UWVGGRQHSA-N 1 0 228.336 1.170 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C(C)C)C[C@H]1[NH3+] ZINC000685953879 538898366 /nfs/dbraw/zinc/89/83/66/538898366.db2.gz JFHXMNRRIDLHHK-HBNTYKKESA-N 1 0 233.377 1.573 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@@H](C)C[C@@H]1[NH3+] ZINC000685954593 538899101 /nfs/dbraw/zinc/89/91/01/538899101.db2.gz OPONBNKGUQUCOA-KXUCPTDWSA-N 1 0 219.350 1.326 10 0 BDAERO CC(C)N1CCC(=O)C12CC[NH+](C)CC2 ZINC000685954785 538899292 /nfs/dbraw/zinc/89/92/92/538899292.db2.gz PBTBADNZEIEHAQ-UHFFFAOYSA-N 1 0 210.321 1.134 10 0 BDAERO CC(C)[C@@H]1CC[C@@H](S(C)(=O)=O)[C@@H]([NH3+])C1 ZINC000685954850 538900043 /nfs/dbraw/zinc/90/00/43/538900043.db2.gz QAYJRUWFMFVGTR-KXUCPTDWSA-N 1 0 219.350 1.183 10 0 BDAERO CC(C)N1CCC(=O)[C@@]12C[NH+]1CCC2CC1 ZINC000685955349 538900655 /nfs/dbraw/zinc/90/06/55/538900655.db2.gz XZBQAKIDPVZSIU-ZDUSSCGKSA-N 1 0 222.332 1.134 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@H]1C[NH3+] ZINC000685955439 538901108 /nfs/dbraw/zinc/90/11/08/538901108.db2.gz ZJVZFWXGACVYFT-WDEREUQCSA-N 1 0 247.404 1.965 10 0 BDAERO CC(C)[NH2+]CC[C@H](CO)[C@H]1CCOC1 ZINC000685960858 538907574 /nfs/dbraw/zinc/90/75/74/538907574.db2.gz FTWGLJQTCOIHJO-MNOVXSKESA-N 1 0 201.310 1.020 10 0 BDAERO OC[C@@H](CC[NH2+]C1CCC1)[C@H]1CCCOC1 ZINC000685963241 538908269 /nfs/dbraw/zinc/90/82/69/538908269.db2.gz KBEXDZRCXBVNDB-NEPJUHHUSA-N 1 0 227.348 1.554 10 0 BDAERO CN(C)c1nc2c(n1C1CCC1)CC[NH2+]C2 ZINC000685962735 538909591 /nfs/dbraw/zinc/90/95/91/538909591.db2.gz ROQUBPJTKWFDIE-UHFFFAOYSA-N 1 0 220.320 1.320 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@@H](CO)[C@@H]1CCCOC1 ZINC000685963516 538910192 /nfs/dbraw/zinc/91/01/92/538910192.db2.gz RAFOJKPUYBZABV-RWMBFGLXSA-N 1 0 229.364 1.800 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C)C[C@@H]1[NH3+] ZINC000685952996 538896302 /nfs/dbraw/zinc/89/63/02/538896302.db2.gz FEUFUAQZLDXWQY-LPEHRKFASA-N 1 0 219.350 1.327 10 0 BDAERO CC(C)(C)OC(=O)NC[C@H]1C[C@H]2C[NH2+][C@H](C2)C1 ZINC000685952443 538896503 /nfs/dbraw/zinc/89/65/03/538896503.db2.gz LICUESMVTBQMOG-OUAUKWLOSA-N 1 0 240.347 1.899 10 0 BDAERO COC1(C[C@H](C)[NH2+][C@@H]2C[C@H]2CO)CCC1 ZINC000378683198 346807579 /nfs/dbraw/zinc/80/75/79/346807579.db2.gz YVVJJVSTYZJMAS-GARJFASQSA-N 1 0 213.321 1.305 10 0 BDAERO CCN(Cc1ccncc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000062115259 349437997 /nfs/dbraw/zinc/43/79/97/349437997.db2.gz GOEGSWWUPOZSJN-LBPRGKRZSA-N 1 0 233.315 1.040 10 0 BDAERO CCC[NH2+]CC[C@H](CO)[C@H]1COC(C)(C)O1 ZINC000685963914 538910862 /nfs/dbraw/zinc/91/08/62/538910862.db2.gz ZLHKSYNUUBFHJC-GHMZBOCLSA-N 1 0 231.336 1.136 10 0 BDAERO CCc1cccc([C@@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685965723 538912372 /nfs/dbraw/zinc/91/23/72/538912372.db2.gz QADZDZMSSONZEY-STQMWFEESA-N 1 0 204.317 1.653 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000685965714 538912656 /nfs/dbraw/zinc/91/26/56/538912656.db2.gz PVSUGRKRGOEANZ-GHMZBOCLSA-N 1 0 210.708 1.744 10 0 BDAERO CCC(CC)(C[NH3+])Nc1cc(C)cc2ncnn21 ZINC000111823028 168324503 /nfs/dbraw/zinc/32/45/03/168324503.db2.gz DREQCVOAKHXVOS-UHFFFAOYSA-N 1 0 247.346 1.967 10 0 BDAERO CCC(CC)(C[NH3+])N1C[C@H](C)OC[C@@H]1C ZINC000035783519 168323162 /nfs/dbraw/zinc/32/31/62/168323162.db2.gz VXHJPNUTGAFSFD-QWRGUYRKSA-N 1 0 214.353 1.613 10 0 BDAERO CCC(CC)(CO)NC(=O)C1([NH3+])CCCCC1 ZINC000053072204 168328404 /nfs/dbraw/zinc/32/84/04/168328404.db2.gz GVQQYHJLAIQXSJ-UHFFFAOYSA-N 1 0 242.363 1.315 10 0 BDAERO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[NH2+]C2 ZINC000071373402 398148024 /nfs/dbraw/zinc/14/80/24/398148024.db2.gz IZLGOGRHBJIRNU-AOOOYVTPSA-N 1 0 226.320 1.748 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)CN1C1CC1 ZINC000309732803 398149270 /nfs/dbraw/zinc/14/92/70/398149270.db2.gz BOISKBSEOCCNNE-RKDXNWHRSA-N 1 0 230.302 1.999 10 0 BDAERO COC(=O)c1ccc(NC2CC[NH+](C)CC2)o1 ZINC000299805192 398152808 /nfs/dbraw/zinc/15/28/08/398152808.db2.gz CCLHFHDCODEKLU-UHFFFAOYSA-N 1 0 238.287 1.572 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000379573475 398153228 /nfs/dbraw/zinc/15/32/28/398153228.db2.gz XKKDYJGEGFGVAI-OUAUKWLOSA-N 1 0 224.348 1.474 10 0 BDAERO Cc1cc(CNC(=O)[C@@H]([NH3+])c2ccccc2)on1 ZINC000045007001 178014419 /nfs/dbraw/zinc/01/44/19/178014419.db2.gz QHLHFKHVSCEDFK-LBPRGKRZSA-N 1 0 245.282 1.299 10 0 BDAERO CC1(C)CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000063072066 349505766 /nfs/dbraw/zinc/50/57/66/349505766.db2.gz FNBXHKRDGQBUMK-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO CCC(CC)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000036287538 168336226 /nfs/dbraw/zinc/33/62/26/168336226.db2.gz PNUNGHNSWPICHW-WDEREUQCSA-N 1 0 210.321 1.243 10 0 BDAERO Cc1cc(COC[C@H]2CCC[NH2+]C2)no1 ZINC000020443178 178049386 /nfs/dbraw/zinc/04/93/86/178049386.db2.gz RNEKREMTTRGVGC-JTQLQIEISA-N 1 0 210.277 1.499 10 0 BDAERO Cc1cc(COC[C@H]2CCC[NH2+]C2)on1 ZINC000051815199 178049597 /nfs/dbraw/zinc/04/95/97/178049597.db2.gz NOXNUWLQNPXEAW-JTQLQIEISA-N 1 0 210.277 1.499 10 0 BDAERO C[C@H](C[NH3+])Nc1cncc(Br)c1 ZINC000300763999 398160449 /nfs/dbraw/zinc/16/04/49/398160449.db2.gz NSRKSDYCVIOJML-ZCFIWIBFSA-N 1 0 230.109 1.603 10 0 BDAERO CC(C)(C[NH3+])Nc1cncc(Br)c1 ZINC000300758834 398160922 /nfs/dbraw/zinc/16/09/22/398160922.db2.gz MYAAPLZRODGDTL-UHFFFAOYSA-N 1 0 244.136 1.993 10 0 BDAERO Cc1cnc(N2CCC([C@H](C)[NH3+])CC2)nc1C ZINC000386401660 398164281 /nfs/dbraw/zinc/16/42/81/398164281.db2.gz DOMARURBNXKOFD-JTQLQIEISA-N 1 0 234.347 1.657 10 0 BDAERO Cc1cc(Cl)nc(N2CCC[NH2+]CC2)n1 ZINC000095068918 178071945 /nfs/dbraw/zinc/07/19/45/178071945.db2.gz SMOMKVDUHAGXMN-UHFFFAOYSA-N 1 0 226.711 1.238 10 0 BDAERO Cc1cc(Cn2cnc(C)c2C)oc1C[NH3+] ZINC000052593588 178074809 /nfs/dbraw/zinc/07/48/09/178074809.db2.gz MYORGYUQTFUONN-UHFFFAOYSA-N 1 0 219.288 1.908 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000649374721 398186242 /nfs/dbraw/zinc/18/62/42/398186242.db2.gz DHDPWJZOASSNIY-FOGDFJRCSA-N 1 0 242.363 1.432 10 0 BDAERO Cc1cc(F)ccc1-c1nnc(CC[NH3+])o1 ZINC000083351085 178080172 /nfs/dbraw/zinc/08/01/72/178080172.db2.gz MQUNVRSSNROINT-UHFFFAOYSA-N 1 0 221.235 1.685 10 0 BDAERO [NH3+]C[C@@H]1CCO[C@H]1c1cnn(C2CC2)c1 ZINC000536959914 398199376 /nfs/dbraw/zinc/19/93/76/398199376.db2.gz WXJMPYPTOANARD-GZMMTYOYSA-N 1 0 207.277 1.254 10 0 BDAERO Cc1cc(F)ccc1[C@@H]([NH2+]C(C)C)C(N)=O ZINC000050579628 178092531 /nfs/dbraw/zinc/09/25/31/178092531.db2.gz FCMDMTSVDYSQBI-LLVKDONJSA-N 1 0 224.279 1.659 10 0 BDAERO Cc1cc(F)ccc1[C@H](CO)N1CC[NH2+]CC1 ZINC000050580801 178092580 /nfs/dbraw/zinc/09/25/80/178092580.db2.gz PUZLFSMSKPGDLS-ZDUSSCGKSA-N 1 0 238.306 1.073 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1ccnc1 ZINC000161867807 349516575 /nfs/dbraw/zinc/51/65/75/349516575.db2.gz GAJWMAFGAXZBOK-CHWSQXEVSA-N 1 0 234.347 1.052 10 0 BDAERO COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000393824201 343982830 /nfs/dbraw/zinc/98/28/30/343982830.db2.gz CQAQMLPVXBZAAX-IJLUTSLNSA-N 1 0 243.347 1.278 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1F ZINC000117531846 136219844 /nfs/dbraw/zinc/21/98/44/136219844.db2.gz OIUJTHGEWAFCET-NXEZZACHSA-N 1 0 241.237 1.441 10 0 BDAERO O=Cc1ccc(Cl)cc1N1CC[NH2+]CC1 ZINC000163045158 538925837 /nfs/dbraw/zinc/92/58/37/538925837.db2.gz GRADGQLBRBGFTG-UHFFFAOYSA-N 1 0 224.691 1.562 10 0 BDAERO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000054290384 178134756 /nfs/dbraw/zinc/13/47/56/178134756.db2.gz QXWMCVGVYARALV-SNVBAGLBSA-N 1 0 236.319 1.057 10 0 BDAERO Cc1cc(C)n(CC[N@@H+]2CC[C@@H](CCO)C2)n1 ZINC000336717542 398214182 /nfs/dbraw/zinc/21/41/82/398214182.db2.gz WJICFWHYQPMSLY-ZDUSSCGKSA-N 1 0 237.347 1.204 10 0 BDAERO CC[C@H]1CN(c2ncc(C)c(C)n2)CC[C@@H]1[NH3+] ZINC000386641230 398214727 /nfs/dbraw/zinc/21/47/27/398214727.db2.gz INKFEEWPHSLEKQ-RYUDHWBXSA-N 1 0 234.347 1.657 10 0 BDAERO Cc1cc(NC(=O)[C@H]([NH3+])C(C)(C)C)on1 ZINC000077488026 178147651 /nfs/dbraw/zinc/14/76/51/178147651.db2.gz YACXXJPTYBZUOO-QMMMGPOBSA-N 1 0 211.265 1.295 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)n(C)n1 ZINC000019435189 178147773 /nfs/dbraw/zinc/14/77/73/178147773.db2.gz DDOWCAXCPJOOGU-SCZZXKLOSA-N 1 0 236.319 1.055 10 0 BDAERO Cc1cc(N[C@@H]2CC[N@@H+](C)C2)nc(Cl)n1 ZINC000052814588 178182481 /nfs/dbraw/zinc/18/24/81/178182481.db2.gz LJJQNBNVBQSYBS-MRVPVSSYSA-N 1 0 226.711 1.554 10 0 BDAERO C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]2C)CCC1 ZINC000386964841 398223403 /nfs/dbraw/zinc/22/34/03/398223403.db2.gz ZUHLCDZGQIUPIV-GHMZBOCLSA-N 1 0 224.348 1.681 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000382031076 361741396 /nfs/dbraw/zinc/74/13/96/361741396.db2.gz UFXVFISYJVOAKM-NWDGAFQWSA-N 1 0 228.405 1.956 10 0 BDAERO Cc1cc(O[C@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000095068978 178214079 /nfs/dbraw/zinc/21/40/79/178214079.db2.gz MXCXAXFHTRMRFM-ZETCQYMHSA-N 1 0 213.668 1.179 10 0 BDAERO Cc1cc(OCCN2CC[NH2+]CC2)ccc1F ZINC000082607754 178211393 /nfs/dbraw/zinc/21/13/93/178211393.db2.gz QPVZMVYUCFXXNO-UHFFFAOYSA-N 1 0 238.306 1.418 10 0 BDAERO Cc1cc(OC[C@@H]2CCC[NH2+]C2)ncn1 ZINC000051883213 178211740 /nfs/dbraw/zinc/21/17/40/178211740.db2.gz ZYYVKLDIZOHBBS-SNVBAGLBSA-N 1 0 207.277 1.163 10 0 BDAERO Cc1cc(OC[C@H]2CCC[NH2+]C2)nc(C)n1 ZINC000051873197 178212071 /nfs/dbraw/zinc/21/20/71/178212071.db2.gz XJCMSLDKAOXJLN-NSHDSACASA-N 1 0 221.304 1.472 10 0 BDAERO Cc1cc(OC[C@H]2CCCC[NH2+]2)ncn1 ZINC000051883532 178212444 /nfs/dbraw/zinc/21/24/44/178212444.db2.gz IBWSAMJWNQRBSY-SNVBAGLBSA-N 1 0 207.277 1.306 10 0 BDAERO Cc1cc(SC2CC[NH2+]CC2)ncn1 ZINC000020274755 178218099 /nfs/dbraw/zinc/21/80/99/178218099.db2.gz WYAWEFXBTCFULA-UHFFFAOYSA-N 1 0 209.318 1.629 10 0 BDAERO Cc1cc([C@@H](C)N2CC[C@H]([NH3+])C2=O)c(C)s1 ZINC000049649274 178220616 /nfs/dbraw/zinc/22/06/16/178220616.db2.gz IOPODAITHORLEQ-KCJUWKMLSA-N 1 0 238.356 1.986 10 0 BDAERO COCc1nc(C[NH2+]CC[C@@H](C)O)cs1 ZINC000164579093 538933607 /nfs/dbraw/zinc/93/36/07/538933607.db2.gz SSWGIHABDNMMIB-MRVPVSSYSA-N 1 0 230.333 1.150 10 0 BDAERO C[C@H](C[S@](C)=O)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336774246 398235150 /nfs/dbraw/zinc/23/51/50/398235150.db2.gz ZKANBELHOAQRRE-OZWUEAAUSA-N 1 0 235.368 1.871 10 0 BDAERO Cc1cc([C@@H]([NH3+])[C@H]2COCCO2)c(C)o1 ZINC000055301206 178238181 /nfs/dbraw/zinc/23/81/81/178238181.db2.gz DABKWGQRZQBYBU-GHMZBOCLSA-N 1 0 211.261 1.312 10 0 BDAERO Cc1cc([C@H](C)[NH2+]CC(N)=O)ccc1F ZINC000271830742 178245659 /nfs/dbraw/zinc/24/56/59/178245659.db2.gz WXDKSHBEVONNRC-QMMMGPOBSA-N 1 0 210.252 1.270 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)c1ccnn1-c1ccccc1 ZINC000229470179 538939562 /nfs/dbraw/zinc/93/95/62/538939562.db2.gz MDCYXPZGBDSPKG-CQSZACIVSA-N 1 0 245.326 1.904 10 0 BDAERO Cc1cc([C@H](CO)[NH2+]C2CC2)cc(C)c1O ZINC000038124338 178260815 /nfs/dbraw/zinc/26/08/15/178260815.db2.gz VVIDOTUHIKHWQQ-LBPRGKRZSA-N 1 0 221.300 1.794 10 0 BDAERO Cc1cc([C@H]2C[C@@]2(C[NH3+])CO)ccc1F ZINC000070500470 178268907 /nfs/dbraw/zinc/26/89/07/178268907.db2.gz GRYJBZZLCPLQSP-ZYHUDNBSSA-N 1 0 209.264 1.559 10 0 BDAERO Cc1cc2c(ncnc2NCCC[NH3+])s1 ZINC000020323103 178279924 /nfs/dbraw/zinc/27/99/24/178279924.db2.gz XBWYVLYPVKSUON-UHFFFAOYSA-N 1 0 222.317 1.760 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)C[C@@H](C)[C@@H]2[NH3+] ZINC000035755715 178286004 /nfs/dbraw/zinc/28/60/04/178286004.db2.gz RDMYCBHAQNSTPW-SKDRFNHKSA-N 1 0 239.340 1.727 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2(C)C)[C@H]1C ZINC000336778175 398244090 /nfs/dbraw/zinc/24/40/90/398244090.db2.gz KNVNARWZNKCKBF-VPOLOUISSA-N 1 0 224.348 1.678 10 0 BDAERO CCC(CC)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000308935567 168365354 /nfs/dbraw/zinc/36/53/54/168365354.db2.gz KTBXUIJKRZIKNF-KOLCDFICSA-N 1 0 212.337 1.679 10 0 BDAERO OC1CC(C[NH2+]CCC2CCOCC2)C1 ZINC000380352443 398249988 /nfs/dbraw/zinc/24/99/88/398249988.db2.gz VRGFGXUSNIXEEW-UHFFFAOYSA-N 1 0 213.321 1.164 10 0 BDAERO Cc1cc2ncn(CC(N)=[NH2+])c2cc1C ZINC000019430614 178306175 /nfs/dbraw/zinc/30/61/75/178306175.db2.gz XJPVYDLDMGYOMK-UHFFFAOYSA-N 1 0 202.261 1.589 10 0 BDAERO Cc1cc2nnc(C[NH2+]CC(C)C)n2cn1 ZINC000062743473 178306863 /nfs/dbraw/zinc/30/68/63/178306863.db2.gz GQWWLKKZNRZVPJ-UHFFFAOYSA-N 1 0 219.292 1.178 10 0 BDAERO Cc1ccc(-c2c[nH]c(CC[NH3+])n2)s1 ZINC000036876256 178318195 /nfs/dbraw/zinc/31/81/95/178318195.db2.gz AKFLXLKFORICFN-UHFFFAOYSA-N 1 0 207.302 1.948 10 0 BDAERO Cc1ccc(-c2nc(C[C@H](C)[NH3+])no2)s1 ZINC000054161432 178335814 /nfs/dbraw/zinc/33/58/14/178335814.db2.gz SMLFJVKXKJLEFP-LURJTMIESA-N 1 0 223.301 1.996 10 0 BDAERO COC[C@@]1(C)CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000381426432 398257317 /nfs/dbraw/zinc/25/73/17/398257317.db2.gz BOBKYIFOKYNFDP-UTUOFQBUSA-N 1 0 213.321 1.258 10 0 BDAERO CC1CC(C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000381495583 398257789 /nfs/dbraw/zinc/25/77/89/398257789.db2.gz BBTFIUICEJJTIE-ILDUYXDCSA-N 1 0 210.321 1.291 10 0 BDAERO Cc1ccc(-n2cc(C[NH3+])nn2)c(Cl)c1 ZINC000050224116 178345636 /nfs/dbraw/zinc/34/56/36/178345636.db2.gz TZRGOOVWHAZZTJ-UHFFFAOYSA-N 1 0 222.679 1.688 10 0 BDAERO CN(C[C@H]1CCCCC1(F)F)C1C[NH2+]C1 ZINC000381750829 398254862 /nfs/dbraw/zinc/25/48/62/398254862.db2.gz VXCZSTOOHLPXSA-SECBINFHSA-N 1 0 218.291 1.716 10 0 BDAERO Cc1ccc(=O)n(CC[NH2+]C2CCC(C)CC2)n1 ZINC000061811094 178361493 /nfs/dbraw/zinc/36/14/93/178361493.db2.gz QMZYSQTVADPQPD-UHFFFAOYSA-N 1 0 249.358 1.720 10 0 BDAERO Cc1ccc(Br)cc1[C@H](N)C[NH3+] ZINC000072201229 178362290 /nfs/dbraw/zinc/36/22/90/178362290.db2.gz VDJWBIHLYMAQPS-SECBINFHSA-N 1 0 229.121 1.716 10 0 BDAERO CCC(CC)N(CC[NH3+])[C@H]1CCCCNC1=O ZINC000104318462 168372161 /nfs/dbraw/zinc/37/21/61/168372161.db2.gz BJHVYWARYDINKZ-LBPRGKRZSA-N 1 0 241.379 1.104 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@H](C)C[NH3+])cc1F ZINC000042454971 178377938 /nfs/dbraw/zinc/37/79/38/178377938.db2.gz DKTDZIAEMGBZTM-SECBINFHSA-N 1 0 238.306 1.801 10 0 BDAERO CCCCNC(=O)NC[C@H]([NH3+])C(C)(C)C ZINC000324770400 538951374 /nfs/dbraw/zinc/95/13/74/538951374.db2.gz YZRPFPHNXITMGG-VIFPVBQESA-N 1 0 215.341 1.459 10 0 BDAERO Cc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]C2)cc1O ZINC000037540971 178381126 /nfs/dbraw/zinc/38/11/26/178381126.db2.gz DEPYSCZZTZKQEH-LBPRGKRZSA-N 1 0 248.326 1.525 10 0 BDAERO Cc1ccc(C(=O)N(CC[NH3+])C2CC2)cc1 ZINC000041056703 178382242 /nfs/dbraw/zinc/38/22/42/178382242.db2.gz SQZUTQYACRWDEN-UHFFFAOYSA-N 1 0 218.300 1.558 10 0 BDAERO Cc1ccc(C(N)=[NH2+])c(N(C)C[C@@H]2CCCO2)c1 ZINC000051579390 178368331 /nfs/dbraw/zinc/36/83/31/178368331.db2.gz RXUYTUNISSOAHE-NSHDSACASA-N 1 0 247.342 1.894 10 0 BDAERO Cc1ccc(C(=O)CN2CC[C@@H]([NH3+])C2)cc1 ZINC000050242344 178373077 /nfs/dbraw/zinc/37/30/77/178373077.db2.gz YNZGSYXDXBLSEB-GFCCVEGCSA-N 1 0 218.300 1.211 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)o1 ZINC000170861780 178397500 /nfs/dbraw/zinc/39/75/00/178397500.db2.gz MBVMRXBZNRDTIF-JTQLQIEISA-N 1 0 222.288 1.364 10 0 BDAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cn1 ZINC000378780950 346833056 /nfs/dbraw/zinc/83/30/56/346833056.db2.gz JMHJDCVEMNTGGS-GMTAPVOTSA-N 1 0 221.304 1.613 10 0 BDAERO c1ccc(COCC[C@@H]2C[NH2+]CCN2)cc1 ZINC000199786136 342688914 /nfs/dbraw/zinc/68/89/14/342688914.db2.gz SXGQUYGSJGHSLV-CYBMUJFWSA-N 1 0 220.316 1.155 10 0 BDAERO CC[C@@H](O)C[N@H+]1[C@H](C)CSC[C@@H]1C ZINC000306649982 361843216 /nfs/dbraw/zinc/84/32/16/361843216.db2.gz FIUURNVGUCKOJU-KXUCPTDWSA-N 1 0 203.351 1.583 10 0 BDAERO c1oc(N2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000144231586 342716099 /nfs/dbraw/zinc/71/60/99/342716099.db2.gz MSILUZJJXKYVGR-UHFFFAOYSA-N 1 0 229.283 1.751 10 0 BDAERO O[C@H]1CC[NH2+]C[C@@H]1Cc1sccc1Cl ZINC000306652994 361860242 /nfs/dbraw/zinc/86/02/42/361860242.db2.gz GSQZTNQDABTKDH-CBAPKCEASA-N 1 0 231.748 1.914 10 0 BDAERO COCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000246858769 323010949 /nfs/dbraw/zinc/01/09/49/323010949.db2.gz CWPOEXDYDTXFAT-SDDRHHMPSA-N 1 0 215.337 1.959 10 0 BDAERO COc1cccc([C@@H](CO)[NH2+]CC(C)C)c1 ZINC000038122192 538965208 /nfs/dbraw/zinc/96/52/08/538965208.db2.gz WYKXTWCULHHXIO-CYBMUJFWSA-N 1 0 223.316 1.974 10 0 BDAERO [NH3+]CC[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000083557730 398283707 /nfs/dbraw/zinc/28/37/07/398283707.db2.gz GPUWXURZOVOAJT-RFMXUXEOSA-N 1 0 209.333 1.913 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1OC ZINC000008699296 342802277 /nfs/dbraw/zinc/80/22/77/342802277.db2.gz MWUXRQCQIMGGAO-GHMZBOCLSA-N 1 0 235.283 1.171 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC000131001783 323012423 /nfs/dbraw/zinc/01/24/23/323012423.db2.gz YEEGDKJTVSQVGY-JTQLQIEISA-N 1 0 227.352 1.378 10 0 BDAERO CCC[C@@H](C)C[NH2+]C1CCN(CCO)CC1 ZINC000379440572 538977925 /nfs/dbraw/zinc/97/79/25/538977925.db2.gz JSKJKCACMKTKDP-GFCCVEGCSA-N 1 0 228.380 1.469 10 0 BDAERO CCC(CC)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336758811 168392532 /nfs/dbraw/zinc/39/25/32/168392532.db2.gz JZCCTNGYTAWRMU-JTQLQIEISA-N 1 0 212.337 1.822 10 0 BDAERO [NH3+]CC1(Nc2ncccc2Br)CC1 ZINC000127032403 342815183 /nfs/dbraw/zinc/81/51/83/342815183.db2.gz NSLBIAXMCUHMKO-UHFFFAOYSA-N 1 0 242.120 1.747 10 0 BDAERO CNC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000035976890 342818364 /nfs/dbraw/zinc/81/83/64/342818364.db2.gz NJJDAPSMXVKKMD-UHFFFAOYSA-N 1 0 232.327 1.588 10 0 BDAERO C[C@@H](CO)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000380261348 538988113 /nfs/dbraw/zinc/98/81/13/538988113.db2.gz RMUGDFOWPKOKGM-QMMMGPOBSA-N 1 0 226.345 1.492 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](O)CC2)C1 ZINC000381976785 398291041 /nfs/dbraw/zinc/29/10/41/398291041.db2.gz ALDWUDUMNXLKJZ-YNEHKIRRSA-N 1 0 227.348 1.384 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccccn2)C1 ZINC000379979754 538983149 /nfs/dbraw/zinc/98/31/49/538983149.db2.gz GSHMIUWWXNBUNW-WDEREUQCSA-N 1 0 205.305 1.834 10 0 BDAERO CC(C)NC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000380030483 538984361 /nfs/dbraw/zinc/98/43/61/538984361.db2.gz QCUAKTDDLPAKMT-SNVBAGLBSA-N 1 0 213.325 1.084 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000381482887 539001712 /nfs/dbraw/zinc/00/17/12/539001712.db2.gz FVQCPHUTSMACFB-WCFLWFBJSA-N 1 0 237.730 1.778 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)no1 ZINC000381716561 539006516 /nfs/dbraw/zinc/00/65/16/539006516.db2.gz LFWIXZBQXGVPKG-AXFHLTTASA-N 1 0 224.304 1.937 10 0 BDAERO C([NH2+]C1CCCCC1)[C@@H]1CSCCN1 ZINC000127074837 342835929 /nfs/dbraw/zinc/83/59/29/342835929.db2.gz QJEIXAVDEKFDIH-LLVKDONJSA-N 1 0 214.378 1.614 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccncc2Cl)C1 ZINC000381344088 538998484 /nfs/dbraw/zinc/99/84/84/538998484.db2.gz YJZXCJVOXKSKNA-SKDRFNHKSA-N 1 0 239.750 1.909 10 0 BDAERO CC[N@H+]1C[C@H](Nc2ccncc2Cl)[C@@H](C)C1 ZINC000381344086 538998812 /nfs/dbraw/zinc/99/88/12/538998812.db2.gz YJZXCJVOXKSKNA-CABZTGNLSA-N 1 0 239.750 1.909 10 0 BDAERO c1nnn([C@@H]2CCC[NH2+]CC2)c1-c1cccnn1 ZINC000725266219 539027117 /nfs/dbraw/zinc/02/71/17/539027117.db2.gz ZPKBBDCIKVIQAT-SNVBAGLBSA-N 1 0 244.302 1.050 10 0 BDAERO CC1(C)CN(C(=O)NC2CCCC2)C[C@@H]1[NH3+] ZINC000388021358 539014567 /nfs/dbraw/zinc/01/45/67/539014567.db2.gz BIKQRIWZDGLHGD-JTQLQIEISA-N 1 0 225.336 1.308 10 0 BDAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CSC1 ZINC000389202018 539015413 /nfs/dbraw/zinc/01/54/13/539015413.db2.gz DUPYVFVELYPUGI-ONGXEEELSA-N 1 0 215.362 1.753 10 0 BDAERO [NH3+][C@H](C(=O)N[C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000037001042 398298682 /nfs/dbraw/zinc/29/86/82/398298682.db2.gz AOJADTGCKFALGY-AGIUHOORSA-N 1 0 248.326 1.106 10 0 BDAERO COCCC[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000389901998 539018488 /nfs/dbraw/zinc/01/84/88/539018488.db2.gz CTGGNNPPLGISDB-NEPJUHHUSA-N 1 0 215.337 1.960 10 0 BDAERO C[C@@H](C[NH3+])c1nc([C@@H]2CCOC2)cs1 ZINC000164981505 342863046 /nfs/dbraw/zinc/86/30/46/342863046.db2.gz NAUPYHAJXMFHCE-JGVFFNPUSA-N 1 0 212.318 1.709 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2nc(Cl)cs2)C1 ZINC000165001763 342865841 /nfs/dbraw/zinc/86/58/41/342865841.db2.gz YNUCEGMDNFLJJS-ZCFIWIBFSA-N 1 0 217.725 1.913 10 0 BDAERO C[C@H]1C[N@H+](C)C[C@]1(O)c1ccccc1F ZINC000521401612 398305085 /nfs/dbraw/zinc/30/50/85/398305085.db2.gz KICOMTJUROYLGS-JOYOIKCWSA-N 1 0 209.264 1.595 10 0 BDAERO C[C@H]1C[N@H+](C)C[C@@]1(O)c1ccccc1F ZINC000521401610 398305276 /nfs/dbraw/zinc/30/52/76/398305276.db2.gz KICOMTJUROYLGS-CABZTGNLSA-N 1 0 209.264 1.595 10 0 BDAERO CC(C)C1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000232623359 342867847 /nfs/dbraw/zinc/86/78/47/342867847.db2.gz ZVPZLNWLDFPRJH-LBPRGKRZSA-N 1 0 238.375 1.929 10 0 BDAERO [NH3+][C@H]1CSC[C@H]1Cc1cccc(O)c1 ZINC000134572539 342869224 /nfs/dbraw/zinc/86/92/24/342869224.db2.gz INSNTIVNVJPVBD-KOLCDFICSA-N 1 0 209.314 1.625 10 0 BDAERO C[C@@H]1CSC(N[C@H]2CCO[C@@H]2C)=[NH+]1 ZINC000134578776 342869726 /nfs/dbraw/zinc/86/97/26/342869726.db2.gz HGIOMHBZZCIKAN-PRJMDXOYSA-N 1 0 200.307 1.245 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2CCO[C@@H]2C)=[NH+]1 ZINC000134578729 342869793 /nfs/dbraw/zinc/86/97/93/342869793.db2.gz HGIOMHBZZCIKAN-BWZBUEFSSA-N 1 0 200.307 1.245 10 0 BDAERO [NH3+][C@H]1CSC[C@@H]1Cc1ccncc1Cl ZINC000134580036 342870324 /nfs/dbraw/zinc/87/03/24/342870324.db2.gz LSMQKIMCZHEYQW-WPRPVWTQSA-N 1 0 228.748 1.968 10 0 BDAERO C[NH2+][C@@H]1CSC[C@H]1Cc1nccs1 ZINC000134587388 342871242 /nfs/dbraw/zinc/87/12/42/342871242.db2.gz DVAOETMFKKTACI-HTQZYQBOSA-N 1 0 214.359 1.637 10 0 BDAERO C[C@H]1C[C@@H](NOC(C)(C)C)CC[N@@H+]1C ZINC000134481885 342857757 /nfs/dbraw/zinc/85/77/57/342857757.db2.gz GLMUPZGMMKNFFO-UWVGGRQHSA-N 1 0 200.326 1.789 10 0 BDAERO CN[C@@]1(C(F)F)C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000229950359 342858687 /nfs/dbraw/zinc/85/86/87/342858687.db2.gz VRJPXBJTZZOSHQ-XCBNKYQSSA-N 1 0 204.264 1.466 10 0 BDAERO CN(C)c1cccc(Br)c1C[NH3+] ZINC000164937882 342859209 /nfs/dbraw/zinc/85/92/09/342859209.db2.gz MUNNIDWQNCDDLU-UHFFFAOYSA-N 1 0 229.121 1.974 10 0 BDAERO CC[C@@H](CO)[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000233881940 342894067 /nfs/dbraw/zinc/89/40/67/342894067.db2.gz STMOOGPMSVPRQS-ZJUUUORDSA-N 1 0 246.351 1.260 10 0 BDAERO [NH3+]C[C@@H]1CCCN(c2nc(Cl)cs2)C1 ZINC000165290529 342896763 /nfs/dbraw/zinc/89/67/63/342896763.db2.gz FHDYOUZWQSLDDP-ZETCQYMHSA-N 1 0 231.752 1.972 10 0 BDAERO CCOC1CC2(C1)[NH2+]C[C@@H](C)CS2 ZINC000233734430 342879378 /nfs/dbraw/zinc/87/93/78/342879378.db2.gz DDRNENZXKGLJCN-XNWIYYODSA-N 1 0 201.335 1.854 10 0 BDAERO CCOC1CC2(C1)[NH2+][C@H](C)CCS2 ZINC000233734586 342879434 /nfs/dbraw/zinc/87/94/34/342879434.db2.gz OUQFKERIWOMONJ-XNWIYYODSA-N 1 0 201.335 1.997 10 0 BDAERO CCCNC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000134760374 342883559 /nfs/dbraw/zinc/88/35/59/342883559.db2.gz ITDUGDVVZWWTJE-RYUDHWBXSA-N 1 0 239.363 1.665 10 0 BDAERO O=C(CC(F)(F)F)NCCC[NH2+]C1CC1 ZINC000036262772 342905205 /nfs/dbraw/zinc/90/52/05/342905205.db2.gz BPSFSKGKAJPAIW-UHFFFAOYSA-N 1 0 224.226 1.197 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000167448295 136246456 /nfs/dbraw/zinc/24/64/56/136246456.db2.gz POPVEGJBJXNIIM-SCVCMEIPSA-N 1 0 224.348 1.679 10 0 BDAERO OC1(C#Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000165365980 342925774 /nfs/dbraw/zinc/92/57/74/342925774.db2.gz NVIIZYORAIKDHV-UHFFFAOYSA-N 1 0 219.259 1.292 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCCCC1 ZINC000134890127 342917588 /nfs/dbraw/zinc/91/75/88/342917588.db2.gz YVWGESUIRGHYBD-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@H]1C[NH2+]CCC12CN(C(=O)OC(C)(C)C)C2 ZINC000575440825 398328166 /nfs/dbraw/zinc/32/81/66/398328166.db2.gz JOLHQICFIFKJQI-JTQLQIEISA-N 1 0 240.347 1.853 10 0 BDAERO C[C@@H]1CCN(c2nccs2)[C@@H](C[NH3+])C1 ZINC000235389328 398337243 /nfs/dbraw/zinc/33/72/43/398337243.db2.gz CLMFQCUELUGBHO-RKDXNWHRSA-N 1 0 211.334 1.707 10 0 BDAERO CC(C)(C)[C@@H]1C[NH2+]CCN1C(=O)C(F)(F)F ZINC000407361970 342940196 /nfs/dbraw/zinc/94/01/96/342940196.db2.gz HZCGMBCNTGDNDE-ZETCQYMHSA-N 1 0 238.253 1.395 10 0 BDAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000037607785 398332428 /nfs/dbraw/zinc/33/24/28/398332428.db2.gz HGZIRBSSGRBHCV-JGVFFNPUSA-N 1 0 242.269 1.879 10 0 BDAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCOc2ccccc21 ZINC000037608389 398332472 /nfs/dbraw/zinc/33/24/72/398332472.db2.gz XBTORAGQZDSZHO-ONGXEEELSA-N 1 0 234.299 1.364 10 0 BDAERO Cc1scc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1C ZINC000335522667 398341637 /nfs/dbraw/zinc/34/16/37/398341637.db2.gz WYWMFILVFBJGLD-HQJQHLMTSA-N 1 0 238.356 1.784 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000308682504 346896764 /nfs/dbraw/zinc/89/67/64/346896764.db2.gz YCYDJIROCIBUDD-GMTAPVOTSA-N 1 0 201.310 1.567 10 0 BDAERO CCC[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000053485909 346902155 /nfs/dbraw/zinc/90/21/55/346902155.db2.gz CRACBFFWVLRGJV-RYUDHWBXSA-N 1 0 214.353 1.485 10 0 BDAERO CC[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000053485874 346902183 /nfs/dbraw/zinc/90/21/83/346902183.db2.gz AKZIZMMKOBXFIH-MNOVXSKESA-N 1 0 200.326 1.095 10 0 BDAERO CCC[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000053485904 346902369 /nfs/dbraw/zinc/90/23/69/346902369.db2.gz CRACBFFWVLRGJV-NWDGAFQWSA-N 1 0 214.353 1.485 10 0 BDAERO OC[C@@H]1CSCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000335902061 136259495 /nfs/dbraw/zinc/25/94/95/136259495.db2.gz VRSKNRBGTIUDTI-CHWSQXEVSA-N 1 0 249.379 1.736 10 0 BDAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCCO2)C1 ZINC000335908010 136261051 /nfs/dbraw/zinc/26/10/51/136261051.db2.gz FTLSGEJCLOHMLU-WDEREUQCSA-N 1 0 241.335 1.206 10 0 BDAERO Nc1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000022176890 343042918 /nfs/dbraw/zinc/04/29/18/343042918.db2.gz IGIGYPNZDJXGOS-ZDUSSCGKSA-N 1 0 245.326 1.093 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000303798878 168420056 /nfs/dbraw/zinc/42/00/56/168420056.db2.gz WNLYDFIAUCZTNP-NSHDSACASA-N 1 0 229.364 1.630 10 0 BDAERO CCN(C(=O)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000309486221 259343331 /nfs/dbraw/zinc/34/33/31/259343331.db2.gz GMEVLCYUYRWWEV-NSHDSACASA-N 1 0 210.321 1.387 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195223544 534932836 /nfs/dbraw/zinc/93/28/36/534932836.db2.gz XXWPLRVIJXDQNJ-UTUOFQBUSA-N 1 0 224.348 1.346 10 0 BDAERO C[NH2+]C[C@H](O)CN(C(=O)OC(C)(C)C)C(C)C ZINC000584881014 343081987 /nfs/dbraw/zinc/08/19/87/343081987.db2.gz UTCCGRQELIGCKY-JTQLQIEISA-N 1 0 246.351 1.212 10 0 BDAERO COc1cc2[nH+]cc(N)c(N)c2c(OC)c1OC ZINC000584881869 343083840 /nfs/dbraw/zinc/08/38/40/343083840.db2.gz GEDMIQCTAADZNJ-UHFFFAOYSA-N 1 0 249.270 1.425 10 0 BDAERO C[C@@](O)(C[C@@H](O)C[NH3+])C1CCCCC1 ZINC000584883320 343086203 /nfs/dbraw/zinc/08/62/03/343086203.db2.gz MKZCPMIRVZHDFL-GHMZBOCLSA-N 1 0 201.310 1.027 10 0 BDAERO CC[NH2+]C[C@H](O)C[C@@](C)(O)C1CCCCC1 ZINC000584883477 343086240 /nfs/dbraw/zinc/08/62/40/343086240.db2.gz PGILNEANGNCZHI-CHWSQXEVSA-N 1 0 229.364 1.678 10 0 BDAERO CCOC(=O)CS[C@H](C[NH3+])C(F)(F)F ZINC000037178246 343074827 /nfs/dbraw/zinc/07/48/27/343074827.db2.gz MNRAASCLGBSEMP-RXMQYKEDSA-N 1 0 231.239 1.172 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000037014952 343074987 /nfs/dbraw/zinc/07/49/87/343074987.db2.gz SSNIKDDEBCPLFI-WRWORJQWSA-N 1 0 242.269 1.879 10 0 BDAERO COc1ccc([C@H](O)[C@H]([NH3+])C(C)C)cc1F ZINC000071533169 362008176 /nfs/dbraw/zinc/00/81/76/362008176.db2.gz PEUFJBHIOCDXLQ-NEPJUHHUSA-N 1 0 227.279 1.851 10 0 BDAERO CC(C)(C)OC(=O)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000238097962 343076616 /nfs/dbraw/zinc/07/66/16/343076616.db2.gz JCUJOIBNKHIOMX-JOYOIKCWSA-N 1 0 211.305 1.860 10 0 BDAERO CC(C)(C)OC(=O)NCC[C@@]1(O)CCC[NH2+]C1 ZINC000214447939 343077508 /nfs/dbraw/zinc/07/75/08/343077508.db2.gz DQDKZMOVMYXPGV-LBPRGKRZSA-N 1 0 244.335 1.016 10 0 BDAERO c1nnc(S[C@@H]2CCC[NH2+]C2)s1 ZINC000043501623 343098374 /nfs/dbraw/zinc/09/83/74/343098374.db2.gz GVNNPURQULYQII-ZCFIWIBFSA-N 1 0 201.320 1.382 10 0 BDAERO C[C@H](C(N)=S)[N@H+](C)[C@@H]1CCSC1 ZINC000043514032 343115703 /nfs/dbraw/zinc/11/57/03/343115703.db2.gz VHFVSPSQKZYHKJ-RNFRBKRXSA-N 1 0 204.364 1.098 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000049753018 343116875 /nfs/dbraw/zinc/11/68/75/343116875.db2.gz YLDCMDHQRJBMDD-LNFKQOIKSA-N 1 0 212.337 1.535 10 0 BDAERO C[C@@H](c1nccs1)N1CC[C@H](C[NH3+])C1 ZINC000070634700 343141473 /nfs/dbraw/zinc/14/14/73/343141473.db2.gz AXCMZDZIGLGXPP-DTWKUNHWSA-N 1 0 211.334 1.485 10 0 BDAERO OCC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000037888010 343144693 /nfs/dbraw/zinc/14/46/93/343144693.db2.gz PSBDIRGGMGCIHJ-CQSZACIVSA-N 1 0 231.295 1.455 10 0 BDAERO OCC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000037888011 343144927 /nfs/dbraw/zinc/14/49/27/343144927.db2.gz PSBDIRGGMGCIHJ-AWEZNQCLSA-N 1 0 231.295 1.455 10 0 BDAERO C[C@]1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000094802512 343157210 /nfs/dbraw/zinc/15/72/10/343157210.db2.gz FHSQFJWANCPRLP-WCQYABFASA-N 1 0 240.347 1.061 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000126049112 343168531 /nfs/dbraw/zinc/16/85/31/343168531.db2.gz YBMCTLAEBBFJKA-WOPDTQHZSA-N 1 0 226.364 1.925 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000126135458 343169026 /nfs/dbraw/zinc/16/90/26/343169026.db2.gz WKMLNECPVKRTKW-SFYZADRCSA-N 1 0 227.333 1.237 10 0 BDAERO OC1(Cn2cc(C(F)(F)F)cn2)CC[NH2+]CC1 ZINC000156573990 343198800 /nfs/dbraw/zinc/19/88/00/343198800.db2.gz LOTLMRVKLLXDSV-UHFFFAOYSA-N 1 0 249.236 1.016 10 0 BDAERO CCOC(=O)c1csc2nccc[n+]12 ZINC000032105925 343230192 /nfs/dbraw/zinc/23/01/92/343230192.db2.gz GTTVUMSXFXOPFF-UHFFFAOYSA-N 1 0 209.250 1.059 10 0 BDAERO c1cc2c(ncnc2NC2CC[NH2+]CC2)s1 ZINC000032540684 343237469 /nfs/dbraw/zinc/23/74/69/343237469.db2.gz DCAKDXFEWJBJRE-UHFFFAOYSA-N 1 0 234.328 1.855 10 0 BDAERO CC1(O)CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000088022875 136284162 /nfs/dbraw/zinc/28/41/62/136284162.db2.gz DCPFCSWHJGORNI-MNOVXSKESA-N 1 0 213.321 1.137 10 0 BDAERO CCC[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162553761 136277388 /nfs/dbraw/zinc/27/73/88/136277388.db2.gz SSBDLONNTJXCJY-KXNHARMFSA-N 1 0 227.348 1.551 10 0 BDAERO COCCn1cc(CC[NH3+])c2ccccc21 ZINC000034077109 343264407 /nfs/dbraw/zinc/26/44/07/343264407.db2.gz RHRRGCXULCOXHW-UHFFFAOYSA-N 1 0 218.300 1.789 10 0 BDAERO C[N@@H+]1CC=C(c2ccc(F)cc2)[C@@H](CO)C1 ZINC000034103881 343264722 /nfs/dbraw/zinc/26/47/22/343264722.db2.gz MXIFCNZZUPFATE-LLVKDONJSA-N 1 0 221.275 1.763 10 0 BDAERO C[NH+]1CCC2(CC1)c1ccccc1NC2=O ZINC000034165106 343265546 /nfs/dbraw/zinc/26/55/46/343265546.db2.gz XHXBJVCQZDBGRQ-UHFFFAOYSA-N 1 0 216.284 1.602 10 0 BDAERO COc1cc([C@H](O)C[NH3+])ccc1Cl ZINC000034183938 343266014 /nfs/dbraw/zinc/26/60/14/343266014.db2.gz LBNVNODDDSSXCY-MRVPVSSYSA-N 1 0 201.653 1.341 10 0 BDAERO Cc1nc([C@@H]2CCCN2C(=O)C[NH3+])cs1 ZINC000083885894 136286910 /nfs/dbraw/zinc/28/69/10/136286910.db2.gz DTJFTNKKJFNIFM-VIFPVBQESA-N 1 0 225.317 1.074 10 0 BDAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC000035793219 343304503 /nfs/dbraw/zinc/30/45/03/343304503.db2.gz FPAOELVJKZYPOD-ZJUUUORDSA-N 1 0 236.315 1.610 10 0 BDAERO CCc1ccc([C@H]2OC[C@@H](C[NH3+])O2)s1 ZINC000134994448 343363805 /nfs/dbraw/zinc/36/38/05/343363805.db2.gz JYEGMDJQFGIRDA-XCBNKYQSSA-N 1 0 213.302 1.683 10 0 BDAERO CC(C)(C)CC[NH2+]CCN1CCOCC1 ZINC000037488730 343347358 /nfs/dbraw/zinc/34/73/58/343347358.db2.gz DCXVWHBHSCNKQF-UHFFFAOYSA-N 1 0 214.353 1.344 10 0 BDAERO CCCc1cc(N)c(C(=O)OC)c(C)[nH+]1 ZINC000039087071 343382063 /nfs/dbraw/zinc/38/20/63/343382063.db2.gz AWQUIKADTYZJPK-UHFFFAOYSA-N 1 0 208.261 1.711 10 0 BDAERO CCc1cnc(OC2CC[NH2+]CC2)nc1 ZINC000039101219 343384109 /nfs/dbraw/zinc/38/41/09/343384109.db2.gz LMBMTBHVEKCQPM-UHFFFAOYSA-N 1 0 207.277 1.170 10 0 BDAERO CC(C)[N@H+](C)C[C@]1(O)CCOC(C)(C)C1 ZINC000039109646 343385017 /nfs/dbraw/zinc/38/50/17/343385017.db2.gz GPRLCNNBEUWACC-LBPRGKRZSA-N 1 0 215.337 1.647 10 0 BDAERO CC[NH+](CC)[C@@H]1C(=O)O[C@@]2(C)CCOC[C@@H]12 ZINC000039111039 343385472 /nfs/dbraw/zinc/38/54/72/343385472.db2.gz CZJYXHOMMHIACO-NHCYSSNCSA-N 1 0 227.304 1.049 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)C1CC1 ZINC000323709973 488217858 /nfs/dbraw/zinc/21/78/58/488217858.db2.gz KKJIXJGNUFRVGW-NEPJUHHUSA-N 1 0 229.364 1.941 10 0 BDAERO Cc1cc(N[C@H](C[NH3+])CC(C)C)ncn1 ZINC000082593024 343450307 /nfs/dbraw/zinc/45/03/07/343450307.db2.gz FRSLJKXUGJBJSS-JTQLQIEISA-N 1 0 208.309 1.570 10 0 BDAERO CCC[C@H](C)[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000378473737 136366421 /nfs/dbraw/zinc/36/64/21/136366421.db2.gz PPGDXXSVUBDBDR-GXSJLCMTSA-N 1 0 222.336 1.680 10 0 BDAERO CC(C)c1nsc(NCCC[NH3+])n1 ZINC000083651578 343494260 /nfs/dbraw/zinc/49/42/60/343494260.db2.gz GUTFTUMSLUSRHY-UHFFFAOYSA-N 1 0 200.311 1.422 10 0 BDAERO CCC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000083704068 343495549 /nfs/dbraw/zinc/49/55/49/343495549.db2.gz SNPJJLVIUIPMJK-QWRGUYRKSA-N 1 0 210.321 1.482 10 0 BDAERO CCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000083704069 343495682 /nfs/dbraw/zinc/49/56/82/343495682.db2.gz SNPJJLVIUIPMJK-WDEREUQCSA-N 1 0 210.321 1.482 10 0 BDAERO CC[C@H](COC)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082991522 343469862 /nfs/dbraw/zinc/46/98/62/343469862.db2.gz XAIJMRKWQIBDAY-TUAOUCFPSA-N 1 0 215.337 1.552 10 0 BDAERO CO[C@@H]1CCC[C@@H](OC[C@H]2CC[NH2+]C2)C1 ZINC000250486747 343528524 /nfs/dbraw/zinc/52/85/24/343528524.db2.gz ZNDRQSRMNOZUNG-QJPTWQEYSA-N 1 0 213.321 1.570 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2cocn2)C1 ZINC000616649438 343531038 /nfs/dbraw/zinc/53/10/38/343531038.db2.gz JQHDQCGOQSZPRU-NSHDSACASA-N 1 0 210.277 1.846 10 0 BDAERO CCc1nc([C@]2([NH3+])CCS[C@H]2C)no1 ZINC000234170172 343532991 /nfs/dbraw/zinc/53/29/91/343532991.db2.gz IEPWYXQOXUCXEN-RCOVLWMOSA-N 1 0 213.306 1.311 10 0 BDAERO CC(=O)[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616669615 343534343 /nfs/dbraw/zinc/53/43/43/343534343.db2.gz KOMUQAFZAJKTCG-LBPRGKRZSA-N 1 0 218.300 1.356 10 0 BDAERO CCOC(=O)[C@H]1Cc2ccccc2N(CC[NH3+])C1 ZINC000616671095 343534988 /nfs/dbraw/zinc/53/49/88/343534988.db2.gz GOYHNOGXGCDVQS-LBPRGKRZSA-N 1 0 248.326 1.187 10 0 BDAERO CC(C)CC[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624235414 343578464 /nfs/dbraw/zinc/57/84/64/343578464.db2.gz JWHYCGUAACRUJJ-SDDRHHMPSA-N 1 0 215.337 1.551 10 0 BDAERO CNC(=O)C[C@@H]1[NH2+]CCc2ccsc21 ZINC000712515954 537787982 /nfs/dbraw/zinc/78/79/82/537787982.db2.gz PGQDRHSTQZXSLG-QMMMGPOBSA-N 1 0 210.302 1.071 10 0 BDAERO c1cc2c(s1)[C@]1(CC[N@H+]3CCC[C@@H]31)NCC2 ZINC000712513191 537786606 /nfs/dbraw/zinc/78/66/06/537786606.db2.gz QBBAOHYQNPOFLW-DGCLKSJQSA-N 1 0 234.368 1.957 10 0 BDAERO CCc1nn(C)cc1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400526896 529768965 /nfs/dbraw/zinc/76/89/65/529768965.db2.gz QIVZOQYESRLYHQ-VHSXEESVSA-N 1 0 222.336 1.392 10 0 BDAERO C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000399207719 488226717 /nfs/dbraw/zinc/22/67/17/488226717.db2.gz DUFOGPMXHPLDPC-LPWJVIDDSA-N 1 0 227.348 1.383 10 0 BDAERO CN(C)C(=O)C[C@@H]1[NH2+]CCc2ccsc21 ZINC000712516082 537790305 /nfs/dbraw/zinc/79/03/05/537790305.db2.gz RHFLGHUWRGQQID-VIFPVBQESA-N 1 0 224.329 1.413 10 0 BDAERO [NH2+]=C(NCC(F)(F)F)NC1CCCC1 ZINC000052046860 343631450 /nfs/dbraw/zinc/63/14/50/343631450.db2.gz QFLPXWRXBZZWNV-UHFFFAOYSA-N 1 0 209.215 1.605 10 0 BDAERO c1cc2c(s1)[C@H]([C@H]1CCOC1)[NH2+]CC2 ZINC000712581986 537795353 /nfs/dbraw/zinc/79/53/53/537795353.db2.gz QWRCRVCEHQTNLN-UWVGGRQHSA-N 1 0 209.314 1.971 10 0 BDAERO C[C@H]1CC[N@H+](C[Si](C)(C)C)C[C@H]1N ZINC000401834543 343736063 /nfs/dbraw/zinc/73/60/63/343736063.db2.gz DKGROMFQRKJBTK-VHSXEESVSA-N 1 0 200.402 1.533 10 0 BDAERO C[C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000082628055 133504263 /nfs/dbraw/zinc/50/42/63/133504263.db2.gz JZCYDPBALFQZAD-GHMZBOCLSA-N 1 0 226.364 1.927 10 0 BDAERO CO[C@]1(c2ccc(Cl)cc2)CC[NH2+]C[C@H]1O ZINC000059715984 343712676 /nfs/dbraw/zinc/71/26/76/343712676.db2.gz IALQWAMTXUIBPM-NEPJUHHUSA-N 1 0 241.718 1.536 10 0 BDAERO C[C@H](CC(=O)NC[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000082628545 133504360 /nfs/dbraw/zinc/50/43/60/133504360.db2.gz WDAMKZWFSVNVLG-MNOVXSKESA-N 1 0 226.364 1.927 10 0 BDAERO CCCn1cc(C[NH2+][C@H]2CCC[C@H](O)C2)cn1 ZINC000227285284 343722607 /nfs/dbraw/zinc/72/26/07/343722607.db2.gz DTFKQNDNUUVYSB-STQMWFEESA-N 1 0 237.347 1.686 10 0 BDAERO [NH3+][C@@H]1CCCN(CC(=O)c2ccc(F)cc2)C1 ZINC000050149653 343782698 /nfs/dbraw/zinc/78/26/98/343782698.db2.gz CKJRVYSAOJIXGF-GFCCVEGCSA-N 1 0 236.290 1.432 10 0 BDAERO CC(C)(C)C(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000050132096 343782816 /nfs/dbraw/zinc/78/28/16/343782816.db2.gz JITAGPWOAMNGCM-JTQLQIEISA-N 1 0 213.321 1.306 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000082639422 537813443 /nfs/dbraw/zinc/81/34/43/537813443.db2.gz JCNDLGPDCZPNQZ-VIFPVBQESA-N 1 0 203.644 1.861 10 0 BDAERO CCOC[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000313224032 343791356 /nfs/dbraw/zinc/79/13/56/343791356.db2.gz DGUYSZIOKZDDTF-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@H]1CCC[C@H]1[NH3+] ZINC000215314458 343792690 /nfs/dbraw/zinc/79/26/90/343792690.db2.gz HMAUGCHVYGNMEL-BDAKNGLRSA-N 1 0 214.309 1.733 10 0 BDAERO [NH3+][C@@H]1CCCN(c2cc(-c3ccco3)[nH]n2)C1 ZINC000229645434 343793540 /nfs/dbraw/zinc/79/35/40/343793540.db2.gz FEAOILAFENWLOX-SECBINFHSA-N 1 0 232.287 1.597 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[NH2+]1)C1CCSCC1 ZINC000409426822 343798880 /nfs/dbraw/zinc/79/88/80/343798880.db2.gz DAYLBEOZYNDRAW-NSHDSACASA-N 1 0 242.388 1.483 10 0 BDAERO CN(C(=O)[C@H]1CCCC[NH2+]1)C1CCSCC1 ZINC000403770962 343812012 /nfs/dbraw/zinc/81/20/12/343812012.db2.gz JSRQPYLUEGLQLO-LLVKDONJSA-N 1 0 242.388 1.483 10 0 BDAERO [NH3+][C@@H]1CCc2nnc(N3CCCCC3)cc2C1 ZINC000409422842 343814406 /nfs/dbraw/zinc/81/44/06/343814406.db2.gz KWGSHNQSRPJQNT-LLVKDONJSA-N 1 0 232.331 1.283 10 0 BDAERO [NH3+]CCc1nc2cccnc2n1CC1CC1 ZINC000409423129 343814810 /nfs/dbraw/zinc/81/48/10/343814810.db2.gz OYHIUSUAEFXTKX-UHFFFAOYSA-N 1 0 216.288 1.343 10 0 BDAERO Cc1cc2cc(C[NH3+])c(=O)n(C)c2cc1C ZINC000409423318 343815228 /nfs/dbraw/zinc/81/52/28/343815228.db2.gz PTXSQUIEORJLCR-UHFFFAOYSA-N 1 0 216.284 1.614 10 0 BDAERO C=Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000409423993 343816705 /nfs/dbraw/zinc/81/67/05/343816705.db2.gz SHLQFAHFMZYDJE-CYBMUJFWSA-N 1 0 203.285 1.896 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC[C@@H](C(F)F)C1 ZINC000409426189 343821791 /nfs/dbraw/zinc/82/17/91/343821791.db2.gz HTRMNDZIZPCFOX-RKDXNWHRSA-N 1 0 232.274 1.100 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC[C@@H](C(F)F)C1 ZINC000409426186 343822099 /nfs/dbraw/zinc/82/20/99/343822099.db2.gz HTRMNDZIZPCFOX-DTWKUNHWSA-N 1 0 232.274 1.100 10 0 BDAERO O=C([C@H]1CCCC[NH2+]1)N1CCC[C@@H](C(F)F)C1 ZINC000409431866 343822841 /nfs/dbraw/zinc/82/28/41/343822841.db2.gz UBAVPIVIKCDDBA-NXEZZACHSA-N 1 0 246.301 1.632 10 0 BDAERO Nc1cc(F)c(Br)cc1NCC[NH3+] ZINC000159040493 346983889 /nfs/dbraw/zinc/98/38/89/346983889.db2.gz CVOUDQCCNRJQOZ-UHFFFAOYSA-N 1 0 248.099 1.541 10 0 BDAERO O=Cc1ccc(N2CC[NH2+]CC2)cc1Cl ZINC000145374691 537818072 /nfs/dbraw/zinc/81/80/72/537818072.db2.gz ZGKIIMCNXBVFSH-UHFFFAOYSA-N 1 0 224.691 1.562 10 0 BDAERO COC[C@]12C[N@H+](CCN)C[C@H]1CCCC2 ZINC000409428579 343804089 /nfs/dbraw/zinc/80/40/89/343804089.db2.gz GSMRAJKGWCETMD-NEPJUHHUSA-N 1 0 212.337 1.084 10 0 BDAERO COC[C@@]12C[N@H+](CCN)C[C@@H]1CCCC2 ZINC000409428582 343804229 /nfs/dbraw/zinc/80/42/29/343804229.db2.gz GSMRAJKGWCETMD-NWDGAFQWSA-N 1 0 212.337 1.084 10 0 BDAERO COc1cccc([C@H]2C[C@H](CO)C[N@@H+]2C)c1 ZINC000409440626 343853073 /nfs/dbraw/zinc/85/30/73/343853073.db2.gz LRKOVRPDELWYFR-GXFFZTMASA-N 1 0 221.300 1.680 10 0 BDAERO CC(C)Cc1n[nH]cc1CN1CC[NH2+]CC1 ZINC000409439894 343853428 /nfs/dbraw/zinc/85/34/28/343853428.db2.gz KMRFBCSUKYLYQC-UHFFFAOYSA-N 1 0 222.336 1.013 10 0 BDAERO c1cn(C[C@H]2CCC[NH2+]2)nc1-c1cccnc1 ZINC000409442210 343857315 /nfs/dbraw/zinc/85/73/15/343857315.db2.gz XOPZDUFJKLUVKI-GFCCVEGCSA-N 1 0 228.299 1.697 10 0 BDAERO NC(=[NH2+])CCc1c[nH]nc1-c1cccnc1 ZINC000409441057 343854898 /nfs/dbraw/zinc/85/48/98/343854898.db2.gz PQNWLYCIKTZWMT-UHFFFAOYSA-N 1 0 215.260 1.340 10 0 BDAERO CCn1nc([C@H]2CCC[NH2+]C2)c2c1CCC2 ZINC000409441133 343855657 /nfs/dbraw/zinc/85/56/57/343855657.db2.gz WQXYMLFSQFTMGP-JTQLQIEISA-N 1 0 219.332 1.859 10 0 BDAERO CCOC[C@H]1C[N@H+](CCO)CC12CCCC2 ZINC000409434573 343834187 /nfs/dbraw/zinc/83/41/87/343834187.db2.gz PXOAOCZCFXNYPM-GFCCVEGCSA-N 1 0 227.348 1.507 10 0 BDAERO Cn1ccn2nc(-c3ccccc3)c(C[NH3+])c12 ZINC000409437209 343842423 /nfs/dbraw/zinc/84/24/23/343842423.db2.gz DOJPYEZOZSPSLO-UHFFFAOYSA-N 1 0 226.283 1.799 10 0 BDAERO [NH3+]CCn1ccn2nc(-c3ccoc3)cc12 ZINC000409437190 343842452 /nfs/dbraw/zinc/84/24/52/343842452.db2.gz DCNSQTKQBYYXAW-UHFFFAOYSA-N 1 0 216.244 1.355 10 0 BDAERO CCn1cc(C(N)=[NH2+])c(-c2ccccn2)n1 ZINC000409437518 343843635 /nfs/dbraw/zinc/84/36/35/343843635.db2.gz HOYBCKBZWKZMBM-UHFFFAOYSA-N 1 0 215.260 1.249 10 0 BDAERO Nc1cc(C(F)(F)F)nn1CC1CC[NH2+]CC1 ZINC000409437491 343843703 /nfs/dbraw/zinc/84/37/03/343843703.db2.gz HDPJRFOOINDHLD-UHFFFAOYSA-N 1 0 248.252 1.484 10 0 BDAERO c1ccc(-c2n[nH]c3c2CC[NH2+]CC3)cc1 ZINC000409438499 343844267 /nfs/dbraw/zinc/84/42/67/343844267.db2.gz CWCOSSAMGYKZCU-UHFFFAOYSA-N 1 0 213.284 1.765 10 0 BDAERO [NH3+]Cc1c(C2CC2)[nH]nc1C(F)(F)F ZINC000409438747 343845355 /nfs/dbraw/zinc/84/53/55/343845355.db2.gz FNZLNUUNKHEGSV-UHFFFAOYSA-N 1 0 205.183 1.765 10 0 BDAERO OCC[N@@H+]1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409438798 343845467 /nfs/dbraw/zinc/84/54/67/343845467.db2.gz OXHBYQYZZIERST-IUCAKERBSA-N 1 0 205.248 1.346 10 0 BDAERO [NH3+][C@H](C[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)[O-] ZINC000409438940 343846102 /nfs/dbraw/zinc/84/61/02/343846102.db2.gz FDERBAPGJDUIQS-CHWSQXEVSA-N 1 0 248.326 1.626 10 0 BDAERO CCn1cc(CC[NH2+]C)c(-c2cccnc2)n1 ZINC000409439506 343847450 /nfs/dbraw/zinc/84/74/50/343847450.db2.gz PMDUCFMZDGSVKK-UHFFFAOYSA-N 1 0 230.315 1.727 10 0 BDAERO c1cc(-c2n[nH]c3c2C[NH2+]CC3)cs1 ZINC000409437893 343849473 /nfs/dbraw/zinc/84/94/73/343849473.db2.gz JQACRKLGHKOCER-UHFFFAOYSA-N 1 0 205.286 1.784 10 0 BDAERO Cc1nc(C[NH3+])cc(Cc2ccccc2)n1 ZINC000409438325 343850379 /nfs/dbraw/zinc/85/03/79/343850379.db2.gz LSCLNITVQPZQPB-UHFFFAOYSA-N 1 0 213.284 1.835 10 0 BDAERO CC(C)c1[nH]nc(C2CCOCC2)c1CC[NH3+] ZINC000409438264 343850381 /nfs/dbraw/zinc/85/03/81/343850381.db2.gz BWQVDBIJBJVUDR-UHFFFAOYSA-N 1 0 237.347 1.928 10 0 BDAERO [NH3+]C[C@H](O)c1ccc(N2CCCCCC2)o1 ZINC000409442112 343857192 /nfs/dbraw/zinc/85/71/92/343857192.db2.gz SYFLAUQCOPZXDX-JTQLQIEISA-N 1 0 224.304 1.652 10 0 BDAERO [NH3+]CC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000127164241 343883882 /nfs/dbraw/zinc/88/38/82/343883882.db2.gz CBDQGABHBVXVCG-RNFRBKRXSA-N 1 0 209.211 1.883 10 0 BDAERO [NH3+]Cc1cn(CC2CC2)nc1C(F)(F)F ZINC000409441401 343859071 /nfs/dbraw/zinc/85/90/71/343859071.db2.gz XLYZYFFDNGHVSQ-UHFFFAOYSA-N 1 0 219.210 1.771 10 0 BDAERO CC1CCN(c2cncc(C[NH3+])c2)CC1 ZINC000409441652 343860442 /nfs/dbraw/zinc/86/04/42/343860442.db2.gz QEQBKDXBCAZADR-UHFFFAOYSA-N 1 0 205.305 1.777 10 0 BDAERO CCn1nc(-c2ccncc2)cc1C(N)=[NH2+] ZINC000409443672 343862201 /nfs/dbraw/zinc/86/22/01/343862201.db2.gz RGLDLTQTBLWXBW-UHFFFAOYSA-N 1 0 215.260 1.249 10 0 BDAERO NC(=[NH2+])c1cc(-c2ccncc2)nn1CCF ZINC000409443822 343862883 /nfs/dbraw/zinc/86/28/83/343862883.db2.gz UZBLMLRCLUJCFL-UHFFFAOYSA-N 1 0 233.250 1.199 10 0 BDAERO [NH3+]CCc1cc(C(F)(F)F)nn1C(F)F ZINC000409443020 343865679 /nfs/dbraw/zinc/86/56/79/343865679.db2.gz FPSDFVVXAJGURL-UHFFFAOYSA-N 1 0 229.152 1.798 10 0 BDAERO [NH3+]CCc1cc(-c2ccccn2)nn1CCF ZINC000409443376 343867294 /nfs/dbraw/zinc/86/72/94/343867294.db2.gz LYSQZIYJWOLSFZ-UHFFFAOYSA-N 1 0 234.278 1.416 10 0 BDAERO Cn1nc(-c2ccsc2)cc1C(N)=[NH2+] ZINC000409443498 343867725 /nfs/dbraw/zinc/86/77/25/343867725.db2.gz NXOIOHJNWIBEBK-UHFFFAOYSA-N 1 0 206.274 1.433 10 0 BDAERO c1ccc2oc(NCC[NH2+]C3CC3)nc2c1 ZINC000054267945 343885023 /nfs/dbraw/zinc/88/50/23/343885023.db2.gz QDSBXZIXRXZCNV-UHFFFAOYSA-N 1 0 217.272 1.992 10 0 BDAERO COC(=O)c1nccc(N)c1OC(F)(F)F ZINC000309561440 343872974 /nfs/dbraw/zinc/87/29/74/343872974.db2.gz OWDYSPBZXNYKRH-UHFFFAOYSA-N 1 0 236.149 1.349 10 0 BDAERO C[C@@H]1SCC[C@]1(CN)[N@H+](C)C1CCC1 ZINC000235387146 343972134 /nfs/dbraw/zinc/97/21/34/343972134.db2.gz FXXLMMMAYHMHLE-GXSJLCMTSA-N 1 0 214.378 1.694 10 0 BDAERO Cc1c[nH+]c2c(N)cc(Br)cn12 ZINC000036242308 343973545 /nfs/dbraw/zinc/97/35/45/343973545.db2.gz MESSAJAXEYKKLJ-UHFFFAOYSA-N 1 0 226.077 1.987 10 0 BDAERO CCc1nnc(C[N@@H+]2CCCC[C@@H](C)C2)n1C ZINC000187944435 259371829 /nfs/dbraw/zinc/37/18/29/259371829.db2.gz BYAIRURZEUMRLG-LLVKDONJSA-N 1 0 236.363 2.000 10 0 BDAERO CS[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC000307635343 343955799 /nfs/dbraw/zinc/95/57/99/343955799.db2.gz RJVUIHOZVKLDHG-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1C(F)(F)F ZINC000220139861 344050749 /nfs/dbraw/zinc/05/07/49/344050749.db2.gz LVQKNRZUYHJZLN-ZETCQYMHSA-N 1 0 210.243 1.621 10 0 BDAERO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccc[nH]1 ZINC000257353947 344106196 /nfs/dbraw/zinc/10/61/96/344106196.db2.gz UTRSHGDRNPLYBR-GMTAPVOTSA-N 1 0 208.305 1.969 10 0 BDAERO Cc1cc2cccc(N3CC[NH2+]CC3)c2[nH]1 ZINC000220227117 344118389 /nfs/dbraw/zinc/11/83/89/344118389.db2.gz GWFHJMYCBUXQEX-UHFFFAOYSA-N 1 0 215.300 1.886 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCCC(C)(C)C ZINC000313488441 344080994 /nfs/dbraw/zinc/08/09/94/344080994.db2.gz UJEAWBMXULEIDK-SECBINFHSA-N 1 0 200.326 1.537 10 0 BDAERO CC(C)C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(C)C ZINC000616569235 344169768 /nfs/dbraw/zinc/16/97/68/344169768.db2.gz HGDSCYXDEIJOSJ-RYUDHWBXSA-N 1 0 226.364 1.783 10 0 BDAERO Cc1ccn([C@@H](C[NH3+])C(F)(F)C(F)(F)F)n1 ZINC000616569314 344169871 /nfs/dbraw/zinc/16/98/71/344169871.db2.gz JFJDQHMHGZOVTE-LURJTMIESA-N 1 0 243.179 1.889 10 0 BDAERO C[C@H]([NH3+])CNc1cc(Cl)nnc1Cl ZINC000127307098 344128511 /nfs/dbraw/zinc/12/85/11/344128511.db2.gz KZYQMOQNUDEPGV-BYPYZUCNSA-N 1 0 221.091 1.543 10 0 BDAERO CN(C)C(=O)CCC[N@@H+]1CCC[C@H]1CCCO ZINC000052762374 344129199 /nfs/dbraw/zinc/12/91/99/344129199.db2.gz RAVIGYYZHXDGQR-LBPRGKRZSA-N 1 0 242.363 1.092 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCCC(F)(F)CC1 ZINC000634738386 344144535 /nfs/dbraw/zinc/14/45/35/344144535.db2.gz OBXRVYQFMZHTRE-MRVPVSSYSA-N 1 0 220.263 1.242 10 0 BDAERO C/C=C/C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000384888961 344208846 /nfs/dbraw/zinc/20/88/46/344208846.db2.gz SUPWCHZEYPWPLX-KXMPLOMGSA-N 1 0 225.288 1.323 10 0 BDAERO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H]2CCCC(=O)C2)C1 ZINC000165927718 344233873 /nfs/dbraw/zinc/23/38/73/344233873.db2.gz VOZHDLNMGFKKGS-HBNTYKKESA-N 1 0 211.305 1.201 10 0 BDAERO CCC(=O)N1CC[C@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616573256 344186103 /nfs/dbraw/zinc/18/61/03/344186103.db2.gz ZLWAWOFWAKWLJH-MNOVXSKESA-N 1 0 212.337 1.618 10 0 BDAERO COC1CC(NC2=[NH+][C@H](C)CS2)C1 ZINC000234676102 344189364 /nfs/dbraw/zinc/18/93/64/344189364.db2.gz VGHVUTPWVZQJHC-JECWYVHBSA-N 1 0 200.307 1.245 10 0 BDAERO [NH3+]C1CC(Oc2cc(Cl)nnc2Cl)C1 ZINC000127338732 344190504 /nfs/dbraw/zinc/19/05/04/344190504.db2.gz MBRIUTHKNRKTPU-UHFFFAOYSA-N 1 0 234.086 1.652 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384860592 344192315 /nfs/dbraw/zinc/19/23/15/344192315.db2.gz DHDSFUMLJBBKPS-UMSGYPCISA-N 1 0 245.363 1.320 10 0 BDAERO O=C1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000060720395 344198753 /nfs/dbraw/zinc/19/87/53/344198753.db2.gz GRMGYECUDBZPSO-GHMZBOCLSA-N 1 0 211.305 1.202 10 0 BDAERO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000157869135 344205374 /nfs/dbraw/zinc/20/53/74/344205374.db2.gz UDXXNWDRSSZGOJ-DDHJBXDOSA-N 1 0 224.348 1.631 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccoc1 ZINC000180596931 347034103 /nfs/dbraw/zinc/03/41/03/347034103.db2.gz DVHLMFVRWMUGPU-GXSJLCMTSA-N 1 0 232.287 1.537 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634761709 344251983 /nfs/dbraw/zinc/25/19/83/344251983.db2.gz HIUUZEXKKJTLBI-MNXVOIDGSA-N 1 0 236.359 1.681 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000132291191 344297474 /nfs/dbraw/zinc/29/74/74/344297474.db2.gz CWYCCSVQRIUYKQ-HBNTYKKESA-N 1 0 233.377 1.588 10 0 BDAERO Cc1ccncc1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765985 344277664 /nfs/dbraw/zinc/27/76/64/344277664.db2.gz MPCSNXNRYDUWRO-FZMZJTMJSA-N 1 0 245.326 1.718 10 0 BDAERO O=C(NC1CC2(CCC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771657 344287216 /nfs/dbraw/zinc/28/72/16/344287216.db2.gz DANWPJCPESTBGR-NHYWBVRUSA-N 1 0 248.370 1.825 10 0 BDAERO O=C(NCC1CC=CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772504 344287991 /nfs/dbraw/zinc/28/79/91/344287991.db2.gz OCMWUUJRKRSTNW-JSGCOSHPSA-N 1 0 234.343 1.459 10 0 BDAERO C[C@@H](C1CC1)N(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772351 344288552 /nfs/dbraw/zinc/28/85/52/344288552.db2.gz HUCXQKPPTZCDJT-JKOKRWQUSA-N 1 0 236.359 1.633 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1nc(C2CC2)ns1 ZINC000384991741 344288664 /nfs/dbraw/zinc/28/86/64/344288664.db2.gz MQJXBFMJYLMEIY-POYBYMJQSA-N 1 0 224.333 1.341 10 0 BDAERO Cc1csc([C@]2(N)C[C@@H](C)[N@@H+](C)C2)n1 ZINC000127396968 344291571 /nfs/dbraw/zinc/29/15/71/344291571.db2.gz ACGWILRITJIOKF-SCZZXKLOSA-N 1 0 211.334 1.330 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncnc2ccccc21 ZINC000385158288 344356157 /nfs/dbraw/zinc/35/61/57/344356157.db2.gz AOCXJVZKTXVKEP-VHSXEESVSA-N 1 0 228.299 1.556 10 0 BDAERO C[N@H+]1CC=C(c2ccccc2CO)CC1 ZINC000028264672 344357211 /nfs/dbraw/zinc/35/72/11/344357211.db2.gz QJKWRUMWDHFPCF-UHFFFAOYSA-N 1 0 203.285 1.898 10 0 BDAERO Cc1ccc(Cl)cc1C(=O)N(C)C1C[NH2+]C1 ZINC000125060392 178660668 /nfs/dbraw/zinc/66/06/68/178660668.db2.gz VZZHXADKIQIIMD-UHFFFAOYSA-N 1 0 238.718 1.692 10 0 BDAERO C[C@@H](c1ccncc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096477900 344376119 /nfs/dbraw/zinc/37/61/19/344376119.db2.gz DLEYEUYUBOIEKI-GXTWGEPZSA-N 1 0 231.343 1.923 10 0 BDAERO Cc1csc2c1ncnc2N1C[C@H]([NH3+])C[C@H]1C ZINC000385225822 344378370 /nfs/dbraw/zinc/37/83/70/344378370.db2.gz HYMQTUFPVCFBSB-RKDXNWHRSA-N 1 0 248.355 1.926 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C(F)(F)F)nn1 ZINC000385259939 344384803 /nfs/dbraw/zinc/38/48/03/344384803.db2.gz PXOQHHRFOYOTIL-RNFRBKRXSA-N 1 0 246.236 1.421 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000380721105 344434860 /nfs/dbraw/zinc/43/48/60/344434860.db2.gz FZVKWDCAPAQLIL-IJLUTSLNSA-N 1 0 224.348 1.633 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000143407571 344407102 /nfs/dbraw/zinc/40/71/02/344407102.db2.gz AODHHHHJHRBGHB-ZJUUUORDSA-N 1 0 226.320 1.591 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043426796 344505393 /nfs/dbraw/zinc/50/53/93/344505393.db2.gz RFFKFECHDRMLGS-SRVKXCTJSA-N 1 0 213.321 1.401 10 0 BDAERO CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)C(C)C ZINC000042592727 344460189 /nfs/dbraw/zinc/46/01/89/344460189.db2.gz YLOACXCROLKXQS-VHSXEESVSA-N 1 0 200.326 1.521 10 0 BDAERO CSCCC[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000381404452 344501571 /nfs/dbraw/zinc/50/15/71/344501571.db2.gz SBCAVYVLGJGMPJ-JQWIXIFHSA-N 1 0 244.404 1.586 10 0 BDAERO Cn1c2c(nc1C(F)F)C[C@@H]([NH3+])CC2 ZINC000127605140 344573302 /nfs/dbraw/zinc/57/33/02/344573302.db2.gz STDPWCMDLGOKGM-YFKPBYRVSA-N 1 0 201.220 1.174 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000109497291 344528574 /nfs/dbraw/zinc/52/85/74/344528574.db2.gz VJNNMPFPAOHOGI-ZJUUUORDSA-N 1 0 244.298 1.987 10 0 BDAERO Cc1nc(CC2(F)CC([NH3+])C2)cs1 ZINC000158159192 344556475 /nfs/dbraw/zinc/55/64/75/344556475.db2.gz LUAKSNYCVIMLIG-UHFFFAOYSA-N 1 0 200.282 1.823 10 0 BDAERO [NH3+][C@H]1CC[C@@](F)(Cc2nccs2)C1 ZINC000158287088 344580677 /nfs/dbraw/zinc/58/06/77/344580677.db2.gz DUMPOESVWFCKNI-CBAPKCEASA-N 1 0 200.282 1.905 10 0 BDAERO Cc1ccc(N(C)CC2CC[NH2+]CC2)nn1 ZINC000086704007 178699191 /nfs/dbraw/zinc/69/91/91/178699191.db2.gz SHCSFKSUEZPNOM-UHFFFAOYSA-N 1 0 220.320 1.221 10 0 BDAERO C[C@@H](c1ccc(Cl)s1)N1C[C@@H]([NH3+])C1=O ZINC000227621168 344660600 /nfs/dbraw/zinc/66/06/00/344660600.db2.gz ZAVSERGSTRMFEP-NTSWFWBYSA-N 1 0 230.720 1.632 10 0 BDAERO CC[C@@H](O)[C@@H](C)[N@@H+]1CCOCC1(C)C ZINC000044178237 344675189 /nfs/dbraw/zinc/67/51/89/344675189.db2.gz RSTPIIRQWYPPEA-NXEZZACHSA-N 1 0 201.310 1.257 10 0 BDAERO C[C@H]1C[C@@H](n2cc[nH]c2=S)CC[N@@H+]1C ZINC000158555964 344676574 /nfs/dbraw/zinc/67/65/74/344676574.db2.gz NHBKSGHVFCBXHS-IUCAKERBSA-N 1 0 211.334 1.827 10 0 BDAERO CCc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc(C)n1 ZINC000248417580 537853688 /nfs/dbraw/zinc/85/36/88/537853688.db2.gz JPBBWGKMYFYFLI-ZDUSSCGKSA-N 1 0 246.358 1.632 10 0 BDAERO COCc1cc(N[C@H]2CCC[NH2+]C2)nc(C)n1 ZINC000045955264 192075407 /nfs/dbraw/zinc/07/54/07/192075407.db2.gz BBDHESBTDAYKRT-JTQLQIEISA-N 1 0 236.319 1.095 10 0 BDAERO C[C@@H](NC1=[NH+][C@H](C)CS1)[C@@H]1CCOC1 ZINC000158700792 344726619 /nfs/dbraw/zinc/72/66/19/344726619.db2.gz BXOFGVXCJUVDAM-IWSPIJDZSA-N 1 0 214.334 1.492 10 0 BDAERO CC[C@@H]([NH3+])[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000221306777 344726989 /nfs/dbraw/zinc/72/69/89/344726989.db2.gz YSVXSLRZQRLRCM-GZMMTYOYSA-N 1 0 232.283 1.408 10 0 BDAERO C[C@@H](NC1=[NH+]CCS1)[C@H]1CCOC1 ZINC000158709504 344728378 /nfs/dbraw/zinc/72/83/78/344728378.db2.gz MCMPTHUPWNJGIX-SFYZADRCSA-N 1 0 200.307 1.104 10 0 BDAERO C1=CCN(CC[C@H]2CSCC[NH2+]2)CC1 ZINC000166125004 344742553 /nfs/dbraw/zinc/74/25/53/344742553.db2.gz BYGUNHNGBNAJHY-NSHDSACASA-N 1 0 212.362 1.343 10 0 BDAERO CC[C@H]([NH3+])CC(=O)OCc1ccccc1 ZINC000127956257 344693935 /nfs/dbraw/zinc/69/39/35/344693935.db2.gz BNZHUCJGPRLDBQ-NSHDSACASA-N 1 0 207.273 1.857 10 0 BDAERO Cn1ncnc1S[C@H]1CCC[C@@H]1C[NH3+] ZINC000127960019 344694302 /nfs/dbraw/zinc/69/43/02/344694302.db2.gz AIJHJLGZRLJISM-SFYZADRCSA-N 1 0 212.322 1.035 10 0 BDAERO C[N@H+](C[C@H]1C[C@@H](O)C1)C[C@H]1CCC[C@@H](O)C1 ZINC000626046553 344697358 /nfs/dbraw/zinc/69/73/58/344697358.db2.gz IOVMTYQPWZYPDG-WUHRBBMRSA-N 1 0 227.348 1.240 10 0 BDAERO Cc1nn([C@@H](C)C(N)=[NH2+])c(C)c1Cl ZINC000050586922 344715823 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ZEHTUOQGRSZPJR-ZCFIWIBFSA-N 1 0 237.122 1.072 10 0 BDAERO C[NH+](C)CCn1ccc2c1cccc2N ZINC000070569146 537872162 /nfs/dbraw/zinc/87/21/62/537872162.db2.gz WYQOJGUOIKJZOT-UHFFFAOYSA-N 1 0 203.289 1.785 10 0 BDAERO C[C@H](O)c1cc(N2CC[NH2+]CC2)ccc1F ZINC000166491521 344907499 /nfs/dbraw/zinc/90/74/99/344907499.db2.gz TWOKQLVBAYZEIY-VIFPVBQESA-N 1 0 224.279 1.289 10 0 BDAERO O[C@H]([C@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000224643625 344961255 /nfs/dbraw/zinc/96/12/55/344961255.db2.gz DGRMMOITTYMAGV-LPEHRKFASA-N 1 0 201.335 1.243 10 0 BDAERO C[C@H]1CCN(C(=O)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000235578748 344947827 /nfs/dbraw/zinc/94/78/27/344947827.db2.gz SJKVJYDOWXNSNU-NKWVEPMBSA-N 1 0 224.226 1.135 10 0 BDAERO CCOc1ccc([C@H]([NH3+])CCO)cc1OC ZINC000044232245 344988151 /nfs/dbraw/zinc/98/81/51/344988151.db2.gz XTSSUEXZEBKVEZ-SNVBAGLBSA-N 1 0 225.288 1.476 10 0 BDAERO [NH3+][C@@H](CCO)c1cc(F)c(F)cc1F ZINC000044233004 344988508 /nfs/dbraw/zinc/98/85/08/344988508.db2.gz HBCCKHNJWLUYHT-VIFPVBQESA-N 1 0 205.179 1.486 10 0 BDAERO [NH3+][C@@H](CCO)c1cc(F)cc(Cl)c1 ZINC000044235439 344989654 /nfs/dbraw/zinc/98/96/54/344989654.db2.gz DUDHOHOEVZWHLU-VIFPVBQESA-N 1 0 203.644 1.861 10 0 BDAERO CS(=O)(=O)c1ccc([C@H]2CC[NH2+]2)cc1 ZINC000044257969 344994062 /nfs/dbraw/zinc/99/40/62/344994062.db2.gz GBWOJLOAKBXWMM-SNVBAGLBSA-N 1 0 211.286 1.125 10 0 BDAERO COc1cccnc1N1CC[C@@](C)(C[NH3+])C1 ZINC000234946683 537882727 /nfs/dbraw/zinc/88/27/27/537882727.db2.gz BYOXZSZLKBWOGY-LBPRGKRZSA-N 1 0 221.304 1.265 10 0 BDAERO C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC[C@H]1O ZINC000248140314 345053508 /nfs/dbraw/zinc/05/35/08/345053508.db2.gz TVCKUIRPRSAEMK-ZIAGYGMSSA-N 1 0 234.343 1.089 10 0 BDAERO CC1(C)CN(Cc2ccccc2)C[C@H](C[NH3+])O1 ZINC000011886488 345050762 /nfs/dbraw/zinc/05/07/62/345050762.db2.gz DSQYMFUJKJXVSW-ZDUSSCGKSA-N 1 0 234.343 1.625 10 0 BDAERO Cc1c(C[NH3+])ccnc1OC(F)(F)F ZINC000238453936 345052100 /nfs/dbraw/zinc/05/21/00/345052100.db2.gz FKHKKCVTYQSONW-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO COc1cc(F)c([C@H]([NH3+])CF)c(F)c1 ZINC000238350297 345027433 /nfs/dbraw/zinc/02/74/33/345027433.db2.gz URXKXQBEHYSDCH-MRVPVSSYSA-N 1 0 205.179 1.943 10 0 BDAERO N[C@@H](C[NH3+])c1sccc1Br ZINC000044469787 345085237 /nfs/dbraw/zinc/08/52/37/345085237.db2.gz GGMVOSNBTJKNNF-YFKPBYRVSA-N 1 0 221.123 1.469 10 0 BDAERO Cc1ccc(OC[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000052649571 178813737 /nfs/dbraw/zinc/81/37/37/178813737.db2.gz GIKHCQHKAHXXTQ-OLZOCXBDSA-N 1 0 221.300 1.880 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H]1Sc1ncnn1C ZINC000128123646 345062450 /nfs/dbraw/zinc/06/24/50/345062450.db2.gz DJFMTRVACLGTIU-YUMQZZPRSA-N 1 0 212.322 1.048 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156184413 345132099 /nfs/dbraw/zinc/13/20/99/345132099.db2.gz SAUHQKILTFIOJY-GXFFZTMASA-N 1 0 232.327 1.886 10 0 BDAERO O=C(CC1CC1)N1CCC([NH2+]C2CCC2)CC1 ZINC000675054062 537890574 /nfs/dbraw/zinc/89/05/74/537890574.db2.gz CLSLPDNJSCFCAV-UHFFFAOYSA-N 1 0 236.359 1.920 10 0 BDAERO C([NH2+]C1CCCCC1)[C@H]1CSCCN1 ZINC000127075093 345154615 /nfs/dbraw/zinc/15/46/15/345154615.db2.gz QJEIXAVDEKFDIH-NSHDSACASA-N 1 0 214.378 1.614 10 0 BDAERO CO[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000381284582 345241516 /nfs/dbraw/zinc/24/15/16/345241516.db2.gz MDERCCKCHGNGGI-NWDGAFQWSA-N 1 0 242.363 1.163 10 0 BDAERO C[C@@H]1CN(C(=O)COC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000158583677 345351904 /nfs/dbraw/zinc/35/19/04/345351904.db2.gz MVQVAZMQWQGYBI-MNOVXSKESA-N 1 0 242.363 1.210 10 0 BDAERO COc1ccc(C[NH2+]CC2CC(O)C2)c(F)c1 ZINC000228599316 323086998 /nfs/dbraw/zinc/08/69/98/323086998.db2.gz CXNYIBABIXYMHZ-UHFFFAOYSA-N 1 0 239.290 1.695 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCCCC(F)(F)F ZINC000133738597 345386190 /nfs/dbraw/zinc/38/61/90/345386190.db2.gz MLZQMOWGLOZJQE-JGVFFNPUSA-N 1 0 238.253 1.301 10 0 BDAERO CC1(C)CCSC[C@]12OC[C@@H](C[NH3+])O2 ZINC000134982616 345428376 /nfs/dbraw/zinc/42/83/76/345428376.db2.gz DCKVYYCQHXITIP-PSASIEDQSA-N 1 0 217.334 1.220 10 0 BDAERO CCOCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159554526 345440411 /nfs/dbraw/zinc/44/04/11/345440411.db2.gz MTHZRILJYHFPQH-GFCCVEGCSA-N 1 0 228.336 1.061 10 0 BDAERO C[C@@H]1SCC[NH2+][C@@H]1c1ccc(F)cn1 ZINC000158815501 345506888 /nfs/dbraw/zinc/50/68/88/345506888.db2.gz LEQVQLXAADVMRK-XVKPBYJWSA-N 1 0 212.293 1.987 10 0 BDAERO Cc1ccc([C@@H]([C@H](C)[NH3+])n2cncn2)s1 ZINC000043243418 178870839 /nfs/dbraw/zinc/87/08/39/178870839.db2.gz DNWLUWVFASQHJY-WCBMZHEXSA-N 1 0 222.317 1.585 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(N(C)C)cc1 ZINC000381355719 345468492 /nfs/dbraw/zinc/46/84/92/345468492.db2.gz IZXICGBIEGWRQU-ZJUUUORDSA-N 1 0 235.331 1.218 10 0 BDAERO Nc1ccc(SC2C[NH2+]C2)c(Cl)c1 ZINC000054931828 345561621 /nfs/dbraw/zinc/56/16/21/345561621.db2.gz NTBWODFPISOKPF-UHFFFAOYSA-N 1 0 214.721 1.986 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+]2)cc1F ZINC000336314097 178887270 /nfs/dbraw/zinc/88/72/70/178887270.db2.gz MRSULAVQRXJCGK-JOYOIKCWSA-N 1 0 236.290 1.673 10 0 BDAERO Fc1cccc(C2(N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000215641055 345742788 /nfs/dbraw/zinc/74/27/88/345742788.db2.gz WPCBSNNNYPCHIK-GFCCVEGCSA-N 1 0 220.291 1.766 10 0 BDAERO C[C@@H](CO)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000168503374 345813798 /nfs/dbraw/zinc/81/37/98/345813798.db2.gz NNDNBYFBNUFIIB-ZDUSSCGKSA-N 1 0 234.343 1.185 10 0 BDAERO CCO[C@@H]1C[NH2+]C[C@@H](Oc2ccccc2)C1 ZINC000136433624 345814001 /nfs/dbraw/zinc/81/40/01/345814001.db2.gz YYLSEMWMLWYJPP-STQMWFEESA-N 1 0 221.300 1.832 10 0 BDAERO COc1ccc2c(c1)C1=CCC[NH2+][C@@H]1CO2 ZINC000034237200 345819806 /nfs/dbraw/zinc/81/98/06/345819806.db2.gz VLLIRPQFOOTYGY-GFCCVEGCSA-N 1 0 217.268 1.833 10 0 BDAERO C[C@H]1C[N@H+](CC2(O)CCCC2)CCS1 ZINC000158899901 345770830 /nfs/dbraw/zinc/77/08/30/345770830.db2.gz KRJFSUYSOZIRHE-JTQLQIEISA-N 1 0 215.362 1.729 10 0 BDAERO C[N@@H+]1CC[C@@H](N2CCCc3cc(N)ccc32)C1 ZINC000167563039 345793503 /nfs/dbraw/zinc/79/35/03/345793503.db2.gz JJUGUQRXPTVMCE-CYBMUJFWSA-N 1 0 231.343 1.726 10 0 BDAERO NC(=O)C1(C2CCCCC2)CC[NH2+]CC1 ZINC000082952492 345795680 /nfs/dbraw/zinc/79/56/80/345795680.db2.gz IYERIGDTNAIIBQ-UHFFFAOYSA-N 1 0 210.321 1.422 10 0 BDAERO Cc1ccc([C@H]([C@H](C)[NH3+])N2CCOCC2)cc1 ZINC000042907763 178917457 /nfs/dbraw/zinc/91/74/57/178917457.db2.gz JCQIMZPNUAWLHM-JSGCOSHPSA-N 1 0 234.343 1.716 10 0 BDAERO CC[N@H+](C)CCN1CCCc2cc(N)ccc21 ZINC000167743332 345799255 /nfs/dbraw/zinc/79/92/55/345799255.db2.gz LCWXPBIPCPTEFK-UHFFFAOYSA-N 1 0 233.359 1.973 10 0 BDAERO Cc1ccc([C@H]2NC(=O)CC[C@H]2[NH3+])c(C)c1 ZINC000070647497 178923860 /nfs/dbraw/zinc/92/38/60/178923860.db2.gz JLXVFCVLGUNRAY-DGCLKSJQSA-N 1 0 218.300 1.582 10 0 BDAERO COc1ccc2onc(CN3CC[NH2+]CC3)c2c1 ZINC000075079904 345839566 /nfs/dbraw/zinc/83/95/66/345839566.db2.gz GPYDRBKOOIMBPT-UHFFFAOYSA-N 1 0 247.298 1.242 10 0 BDAERO [NH3+]CC1([C@H](O)c2occc2Br)CC1 ZINC000306574902 537915456 /nfs/dbraw/zinc/91/54/56/537915456.db2.gz RZZHVDBJNOTBLC-MRVPVSSYSA-N 1 0 246.104 1.814 10 0 BDAERO C[C@H]1[C@@H](C)N(CC(F)(F)CN)C[C@H]1C ZINC000307499337 537923240 /nfs/dbraw/zinc/92/32/40/537923240.db2.gz LIHDAWTXLCFNEI-IWSPIJDZSA-N 1 0 206.280 1.557 10 0 BDAERO CC1(C)OC[C@H]([C@@H]2CCCCC[NH2+]2)C1=O ZINC000307498993 537923311 /nfs/dbraw/zinc/92/33/11/537923311.db2.gz GZXBNFIUQZFADR-ZJUUUORDSA-N 1 0 211.305 1.513 10 0 BDAERO C1COC2(CCCC[C@@]23CCC[NH2+]C3)O1 ZINC000083296894 345915620 /nfs/dbraw/zinc/91/56/20/345915620.db2.gz PNSQVEMYTSIHPK-NSHDSACASA-N 1 0 211.305 1.673 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000082790930 537922979 /nfs/dbraw/zinc/92/29/79/537922979.db2.gz JVXUCADGPIMUOZ-UWVGGRQHSA-N 1 0 219.350 1.327 10 0 BDAERO [NH3+]C1CN(Cc2cccc(Br)c2)C1 ZINC000083634527 345919558 /nfs/dbraw/zinc/91/95/58/345919558.db2.gz OIMZCNYINWCRFW-UHFFFAOYSA-N 1 0 241.132 1.592 10 0 BDAERO CCOC[C@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000083904229 345920249 /nfs/dbraw/zinc/92/02/49/345920249.db2.gz VSFUCMTZLULLGZ-GFCCVEGCSA-N 1 0 240.347 1.014 10 0 BDAERO Cc1ccc(F)c([C@H]([NH3+])CC2OCCO2)c1 ZINC000235871069 345956234 /nfs/dbraw/zinc/95/62/34/345956234.db2.gz XMFACWPJYLXTJD-LLVKDONJSA-N 1 0 225.263 1.897 10 0 BDAERO O=CC1C[NH+](CCCOCCc2ccccc2)C1 ZINC000147754161 346030161 /nfs/dbraw/zinc/03/01/61/346030161.db2.gz FKJIIDMFVFTACT-UHFFFAOYSA-N 1 0 247.338 1.767 10 0 BDAERO CCC(CC)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000120145844 537939550 /nfs/dbraw/zinc/93/95/50/537939550.db2.gz UOXORRWXTMGPNB-VIFPVBQESA-N 1 0 200.326 1.631 10 0 BDAERO [NH3+]Cc1cc([N+](=O)[O-])ncc1OC(F)(F)F ZINC000390557060 346107340 /nfs/dbraw/zinc/10/73/40/346107340.db2.gz IVGHLVLYQAKHPT-UHFFFAOYSA-N 1 0 237.137 1.347 10 0 BDAERO CC(C)[NH+]1CCC(CO)(C[C@H]2CO2)CC1 ZINC000669372055 537948044 /nfs/dbraw/zinc/94/80/44/537948044.db2.gz HLPVPLVJZJGIQP-NSHDSACASA-N 1 0 213.321 1.258 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000149507940 346117822 /nfs/dbraw/zinc/11/78/22/346117822.db2.gz DQLZRSFTEKUHDH-JQWIXIFHSA-N 1 0 243.310 1.897 10 0 BDAERO [NH3+]C1CN(Cc2occc2Br)C1 ZINC000236171927 346204920 /nfs/dbraw/zinc/20/49/20/346204920.db2.gz CPSKWAZDNGPKBS-UHFFFAOYSA-N 1 0 231.093 1.185 10 0 BDAERO O=CN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034155300 346211369 /nfs/dbraw/zinc/21/13/69/346211369.db2.gz QRFDJNLDLPTOBX-GFCCVEGCSA-N 1 0 204.273 1.007 10 0 BDAERO O=C(N[C@@H]1[C@@H]2CC[NH2+][C@H]12)OCc1ccccc1 ZINC000306901766 229559195 /nfs/dbraw/zinc/55/91/95/229559195.db2.gz OVCCDIUQXZKDDD-GRYCIOLGSA-N 1 0 232.283 1.273 10 0 BDAERO Cn1nnc(Br)c1[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236124759 346193894 /nfs/dbraw/zinc/19/38/94/346193894.db2.gz NLTBQFIFTATSSD-PHDIDXHHSA-N 1 0 245.124 1.172 10 0 BDAERO Nc1ncc([C@H](F)[C@@H]2CCC[NH2+]2)s1 ZINC000236384112 346232914 /nfs/dbraw/zinc/23/29/14/346232914.db2.gz XWEVMEIHINARRZ-CAHLUQPWSA-N 1 0 201.270 1.488 10 0 BDAERO Cc1cccc(C(=O)N(C)[C@H]2CCC[NH2+]C2)c1O ZINC000037540909 179005771 /nfs/dbraw/zinc/00/57/71/179005771.db2.gz OWWLSROMARIBHQ-NSHDSACASA-N 1 0 248.326 1.525 10 0 BDAERO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000148534094 346304401 /nfs/dbraw/zinc/30/44/01/346304401.db2.gz YIWVMHCEGJARCH-CHWSQXEVSA-N 1 0 220.316 1.235 10 0 BDAERO Cc1nc(CN2CC[C@H]([NH+](C)C)C2)[nH]c1C ZINC000628278396 346288303 /nfs/dbraw/zinc/28/83/03/346288303.db2.gz OWKMRXKXZIUGJJ-NSHDSACASA-N 1 0 222.336 1.162 10 0 BDAERO Cc1cccc(C)c1N(C)C(=O)CC[NH3+] ZINC000020262273 179038551 /nfs/dbraw/zinc/03/85/51/179038551.db2.gz FEBCJESVHROXGW-UHFFFAOYSA-N 1 0 206.289 1.615 10 0 BDAERO Cc1cccc(C)c1OCC[C@H](C[NH3+])N(C)C ZINC000019663820 179046316 /nfs/dbraw/zinc/04/63/16/179046316.db2.gz FYUJANJUMYWVNV-CYBMUJFWSA-N 1 0 236.359 1.961 10 0 BDAERO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C1CC1 ZINC000033465448 179047725 /nfs/dbraw/zinc/04/77/25/179047725.db2.gz ZQGUZKYFTVBXDM-CYBMUJFWSA-N 1 0 235.327 1.795 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245915660 537967027 /nfs/dbraw/zinc/96/70/27/537967027.db2.gz GIDIZNDRRIUQHD-PWSUYJOCSA-N 1 0 236.363 1.853 10 0 BDAERO Cc1cccc(CC(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000052136849 179052707 /nfs/dbraw/zinc/05/27/07/179052707.db2.gz WBBKYNDOEHAJPT-UONOGXRCSA-N 1 0 246.354 1.924 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000161586787 346338010 /nfs/dbraw/zinc/33/80/10/346338010.db2.gz JYVPXQGBWCSBJF-VXGBXAGGSA-N 1 0 213.321 1.260 10 0 BDAERO Cc1cc(C[N@@H+]2CC[C@@H](CCO)C2)on1 ZINC000161584768 346338346 /nfs/dbraw/zinc/33/83/46/346338346.db2.gz JFZUNLBXMDFKFF-JTQLQIEISA-N 1 0 210.277 1.187 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1C(=O)C1CC(C)C1 ZINC000381577497 346380290 /nfs/dbraw/zinc/38/02/90/346380290.db2.gz CWEHGOWLPCXNFT-ILDUYXDCSA-N 1 0 210.321 1.243 10 0 BDAERO CCC[NH2+][C@@H]1CCNC(=O)c2ccccc21 ZINC000669378805 537971700 /nfs/dbraw/zinc/97/17/00/537971700.db2.gz NZXFFJTUIUVALG-GFCCVEGCSA-N 1 0 218.300 1.861 10 0 BDAERO CC(C)NC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669379249 537976771 /nfs/dbraw/zinc/97/67/71/537976771.db2.gz ARTTWXLCUPGNED-VIFPVBQESA-N 1 0 223.267 1.067 10 0 BDAERO Cc1cccc(CN2CCC[NH2+][C@@H](C)CC2)n1 ZINC000051577669 179073975 /nfs/dbraw/zinc/07/39/75/179073975.db2.gz QCFPSGDCERYOPT-LBPRGKRZSA-N 1 0 233.359 1.964 10 0 BDAERO CCCCS(=O)(=O)N(C)CC[NH2+]C(C)C ZINC000669378973 537975704 /nfs/dbraw/zinc/97/57/04/537975704.db2.gz QWGLBSCNXJCZGT-UHFFFAOYSA-N 1 0 236.381 1.046 10 0 BDAERO Cc1cccc(CN2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000051576630 179078387 /nfs/dbraw/zinc/07/83/87/179078387.db2.gz KFCUSVLWUGXAFV-NWDGAFQWSA-N 1 0 219.332 1.702 10 0 BDAERO CC(C)C[NH2+]Cc1nc(CO)cs1 ZINC000669379526 537979673 /nfs/dbraw/zinc/97/96/73/537979673.db2.gz FJHQPNBLPYSWQG-UHFFFAOYSA-N 1 0 200.307 1.381 10 0 BDAERO COc1ccc(C[C@@H]2[NH2+]C[C@H]3C[C@H]32)cc1 ZINC000575153725 346436086 /nfs/dbraw/zinc/43/60/86/346436086.db2.gz KKFLKPXKVMFCDL-RTXFEEFZSA-N 1 0 203.285 1.846 10 0 BDAERO Cc1cccc(CN2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000051576628 179082709 /nfs/dbraw/zinc/08/27/09/179082709.db2.gz KFCUSVLWUGXAFV-RYUDHWBXSA-N 1 0 219.332 1.702 10 0 BDAERO C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000563434076 323125352 /nfs/dbraw/zinc/12/53/52/323125352.db2.gz UZNIWKDFHOQWIM-REWJHTLYSA-N 1 0 240.391 1.752 10 0 BDAERO Cc1cccc(CN2C[C@H](C[NH3+])OC(C)(C)C2)c1 ZINC000011886507 179084079 /nfs/dbraw/zinc/08/40/79/179084079.db2.gz CAJJANKXGOJBCM-AWEZNQCLSA-N 1 0 248.370 1.933 10 0 BDAERO CC(C)C[C@@H]1CSC(NN(C)C)=[NH+]1 ZINC000148807729 346449592 /nfs/dbraw/zinc/44/95/92/346449592.db2.gz GSZGQLABJBZIQK-MRVPVSSYSA-N 1 0 201.339 1.570 10 0 BDAERO CC[N@@H+]1CCC[C@H](C2=NO[C@@H]3NCCCC=C23)C1 ZINC000215987958 349965265 /nfs/dbraw/zinc/96/52/65/349965265.db2.gz FBJLHTILZIGRLY-FZMZJTMJSA-N 1 0 249.358 1.740 10 0 BDAERO O=C(C1CCC1)N1CCC[NH2+]CC12CC2 ZINC000725241878 537981038 /nfs/dbraw/zinc/98/10/38/537981038.db2.gz VCNPODUGTFKCJW-UHFFFAOYSA-N 1 0 208.305 1.141 10 0 BDAERO COc1cc(N)ccc1OC1CC[NH+](C)CC1 ZINC000167669561 346469167 /nfs/dbraw/zinc/46/91/67/346469167.db2.gz JLZQYWSJMSPOEC-UHFFFAOYSA-N 1 0 236.315 1.750 10 0 BDAERO Cc1nccnc1NCCC[NH2+]C(C)C ZINC000574976520 346477460 /nfs/dbraw/zinc/47/74/60/346477460.db2.gz DLGPAVLTJCKYMD-UHFFFAOYSA-N 1 0 208.309 1.585 10 0 BDAERO Cc1cccc(Cn2cnc(CC[NH3+])c2)c1 ZINC000071519336 179109961 /nfs/dbraw/zinc/10/99/61/179109961.db2.gz UHGPFUVFPISCFW-UHFFFAOYSA-N 1 0 215.300 1.741 10 0 BDAERO [NH3+]C[C@](O)(C1=CCC(F)(F)CC1)C(F)(F)F ZINC000675055118 537984748 /nfs/dbraw/zinc/98/47/48/537984748.db2.gz YPQHPXYPHLGQKI-QMMMGPOBSA-N 1 0 245.191 1.984 10 0 BDAERO C[C@H]1CC[C@@]([NH3+])(C(N)=O)c2ccccc21 ZINC000163869631 346580971 /nfs/dbraw/zinc/58/09/71/346580971.db2.gz VOOZSOLMXHIVOI-UFBFGSQYSA-N 1 0 204.273 1.223 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589644392 346724724 /nfs/dbraw/zinc/72/47/24/346724724.db2.gz JKWSLPPHQMOUAD-GHMZBOCLSA-N 1 0 245.326 1.956 10 0 BDAERO CCC[C@H](C)[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000590000254 346761149 /nfs/dbraw/zinc/76/11/49/346761149.db2.gz CEVXLXWGGYPBNS-NWDGAFQWSA-N 1 0 214.353 1.437 10 0 BDAERO CC[C@@H]1CC[C@]2(C1)[NH2+]CCc1ncn(C)c12 ZINC000725242770 537986774 /nfs/dbraw/zinc/98/67/74/537986774.db2.gz RXXFNRQCHKXEBO-ZWNOBZJWSA-N 1 0 219.332 1.971 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCC12CCOCC2 ZINC000378671102 346800998 /nfs/dbraw/zinc/80/09/98/346800998.db2.gz KCAXVDNCYJSTFC-IJLUTSLNSA-N 1 0 225.332 1.713 10 0 BDAERO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]1CO ZINC000378679944 346805625 /nfs/dbraw/zinc/80/56/25/346805625.db2.gz UURWJXCRRDOTSW-SUZMYJTESA-N 1 0 223.291 1.727 10 0 BDAERO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)CF)c1 ZINC000040380291 179171315 /nfs/dbraw/zinc/17/13/15/179171315.db2.gz DIYDLIFSZIZBCW-RYUDHWBXSA-N 1 0 241.306 1.682 10 0 BDAERO C[C@@H](CCC[NH3+])NC(=O)CC(F)(F)F ZINC000087361995 365874566 /nfs/dbraw/zinc/87/45/66/365874566.db2.gz JUFAMZYIDMQFIK-LURJTMIESA-N 1 0 212.215 1.182 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N2CCOC[C@@H]2C)c1 ZINC000035774627 179184563 /nfs/dbraw/zinc/18/45/63/179184563.db2.gz ICPIOIAYFBYOFZ-GXTWGEPZSA-N 1 0 234.343 1.716 10 0 BDAERO Cc1cccc([C@@H]([NH3+])CS(C)(=O)=O)c1C ZINC000053330332 179185240 /nfs/dbraw/zinc/18/52/40/179185240.db2.gz XEFORQRDWBPWJW-NSHDSACASA-N 1 0 227.329 1.348 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000310006530 347217884 /nfs/dbraw/zinc/21/78/84/347217884.db2.gz GXNKHJWXSLXQTJ-IJLUTSLNSA-N 1 0 247.404 1.505 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000310006532 347218073 /nfs/dbraw/zinc/21/80/73/347218073.db2.gz GXNKHJWXSLXQTJ-TUAOUCFPSA-N 1 0 247.404 1.505 10 0 BDAERO CC[S@](=O)[C@H]1CCCC(C)(C)[C@H]1[NH2+]C ZINC000250249040 362796666 /nfs/dbraw/zinc/79/66/66/362796666.db2.gz RFOAVORQUQRXJQ-BHDSKKPTSA-N 1 0 217.378 1.922 10 0 BDAERO CC[S@](=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000250245633 362796808 /nfs/dbraw/zinc/79/68/08/362796808.db2.gz OZTVDEDDOWILPD-NRUUGDAUSA-N 1 0 203.351 1.805 10 0 BDAERO CC[S@](=O)[C@@H]1CCCC(C)(C)[C@H]1[NH2+]C ZINC000250249035 362796996 /nfs/dbraw/zinc/79/69/96/362796996.db2.gz RFOAVORQUQRXJQ-BFVZDQMLSA-N 1 0 217.378 1.922 10 0 BDAERO C[C@@H](N[C@H]1CC[N@H+](C)C[C@H]1C)C(F)F ZINC000299894828 347247351 /nfs/dbraw/zinc/24/73/51/347247351.db2.gz ATBYEEZXRHWCLD-HLTSFMKQSA-N 1 0 206.280 1.570 10 0 BDAERO C[NH+](C)[C@H]1CCCN([C@H]2CCCC2=O)C1 ZINC000250354713 362800916 /nfs/dbraw/zinc/80/09/16/362800916.db2.gz MMFYAQQGFMDSIK-QWRGUYRKSA-N 1 0 210.321 1.134 10 0 BDAERO CC1CCC(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188864826 347291587 /nfs/dbraw/zinc/29/15/87/347291587.db2.gz JNWGBOXAZWCMDC-MMVSWEMESA-N 1 0 242.338 1.629 10 0 BDAERO Cc1ccccc1C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189105497 347296011 /nfs/dbraw/zinc/29/60/11/347296011.db2.gz HPKGHGMKUVJGHO-GFCCVEGCSA-N 1 0 232.327 1.705 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000120420770 347358943 /nfs/dbraw/zinc/35/89/43/347358943.db2.gz PVVIKSGTNLOUMM-GRYCIOLGSA-N 1 0 212.337 1.238 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC[C@@H](C)O)C12CCC2 ZINC000390455639 347358016 /nfs/dbraw/zinc/35/80/16/347358016.db2.gz CPYVOWWSIVTQFP-NOOOWODRSA-N 1 0 227.348 1.551 10 0 BDAERO COC1CC([C@@H]2[NH2+]CCc3ncn(C)c32)C1 ZINC000725242849 537989590 /nfs/dbraw/zinc/98/95/90/537989590.db2.gz ZVGQOOGAYZBNIW-AMUVOQDHSA-N 1 0 221.304 1.032 10 0 BDAERO CCCC(=O)N[C@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616568612 347450214 /nfs/dbraw/zinc/45/02/14/347450214.db2.gz BZLOINQAVPSYME-RYUDHWBXSA-N 1 0 226.364 1.927 10 0 BDAERO CC[C@@H]1CCN(C(=O)CC(C)C)C[C@@H]1[NH3+] ZINC000616568627 347450305 /nfs/dbraw/zinc/45/03/05/347450305.db2.gz CEFZGIKWTUSQDM-MNOVXSKESA-N 1 0 212.337 1.618 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(C)CC1 ZINC000616568441 347446801 /nfs/dbraw/zinc/44/68/01/347446801.db2.gz BNPMIFGNOZNLQM-NXEZZACHSA-N 1 0 210.321 1.291 10 0 BDAERO CC[NH2+][C@H](CC)c1cn(Cc2cccnc2)nn1 ZINC000616568523 347447769 /nfs/dbraw/zinc/44/77/69/347447769.db2.gz CBBUCCOMAHNECF-GFCCVEGCSA-N 1 0 245.330 1.782 10 0 BDAERO CCC(=O)[C@@H](C)[N@@H+]1CCSC[C@H]1C ZINC000251198300 362844724 /nfs/dbraw/zinc/84/47/24/362844724.db2.gz FTXXHXXDYHWPST-RKDXNWHRSA-N 1 0 201.335 1.791 10 0 BDAERO Cc1ccccc1C(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000062966742 179246410 /nfs/dbraw/zinc/24/64/10/179246410.db2.gz UFVOTFRQCGPKNB-ZDUSSCGKSA-N 1 0 246.354 1.814 10 0 BDAERO Cc1ccc(F)c2c1[C@@H](CC[NH3+])C(=O)N2 ZINC000616569071 347521653 /nfs/dbraw/zinc/52/16/53/347521653.db2.gz HQQWRYOTUYBILJ-SSDOTTSWSA-N 1 0 208.236 1.519 10 0 BDAERO Cc1ccccc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038048899 179252157 /nfs/dbraw/zinc/25/21/57/179252157.db2.gz MDELMYDAVJYMAO-OLZOCXBDSA-N 1 0 232.327 1.995 10 0 BDAERO COC[C@@H](C)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000390644872 259396440 /nfs/dbraw/zinc/39/64/40/259396440.db2.gz NPRYWDVCUYKZQQ-UWVGGRQHSA-N 1 0 223.320 1.139 10 0 BDAERO Cc1ccccc1CCC(=O)N(C)C1C[NH2+]C1 ZINC000090289728 179260122 /nfs/dbraw/zinc/26/01/22/179260122.db2.gz RXDDRYMXGRSGCU-UHFFFAOYSA-N 1 0 232.327 1.358 10 0 BDAERO O=[N+]([O-])c1cccc([C@@H]2C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC000197437752 347575042 /nfs/dbraw/zinc/57/50/42/347575042.db2.gz DPELSNFBACLHNP-DLOVCJGASA-N 1 0 218.256 1.918 10 0 BDAERO Cc1ccccc1N(CCC[NH3+])[C@@H]1CCOC1 ZINC000070072051 179296216 /nfs/dbraw/zinc/29/62/16/179296216.db2.gz KDYVSGWLDWRJPM-CYBMUJFWSA-N 1 0 234.343 1.939 10 0 BDAERO Cc1ccccc1N(C)C(=O)C(C)(C)[NH3+] ZINC000049989193 179295220 /nfs/dbraw/zinc/29/52/20/179295220.db2.gz QSVLEQAVZBKGGX-UHFFFAOYSA-N 1 0 206.289 1.695 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616569728 347816721 /nfs/dbraw/zinc/81/67/21/347816721.db2.gz CMIWWPLTNKHKSF-UWVGGRQHSA-N 1 0 210.321 1.385 10 0 BDAERO Cc1ccccc1C[C@H]1C[NH2+]CCC1=O ZINC000071508641 179292350 /nfs/dbraw/zinc/29/23/50/179292350.db2.gz VYLQBRBRKMTVGL-LBPRGKRZSA-N 1 0 203.285 1.716 10 0 BDAERO Cc1ccccc1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000083296117 179315171 /nfs/dbraw/zinc/31/51/71/179315171.db2.gz FUYYZRALHMKZMJ-NSHDSACASA-N 1 0 239.340 1.521 10 0 BDAERO CCC[C@H](C)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC000616570119 347902824 /nfs/dbraw/zinc/90/28/24/347902824.db2.gz FDFPEPJTYJGPBE-NSHDSACASA-N 1 0 224.348 1.635 10 0 BDAERO Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037166224 348024846 /nfs/dbraw/zinc/02/48/46/348024846.db2.gz IDZMJIRUOYXYMX-GHMZBOCLSA-N 1 0 209.293 1.111 10 0 BDAERO CC1(C(=O)N2CC[C@H]3[NH2+]CCC[C@H]32)CC1 ZINC000616570685 348079806 /nfs/dbraw/zinc/07/98/06/348079806.db2.gz HQYJGSQXVMFZCX-NXEZZACHSA-N 1 0 208.305 1.139 10 0 BDAERO CC(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616570635 348079917 /nfs/dbraw/zinc/07/99/17/348079917.db2.gz HCRRDWREFLHAPT-JGVFFNPUSA-N 1 0 238.253 1.299 10 0 BDAERO C/C=C\C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000616570330 348033417 /nfs/dbraw/zinc/03/34/17/348033417.db2.gz FSJLHSDPOYKFDO-BXETVTBUSA-N 1 0 236.359 1.991 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])n1cncn1 ZINC000043037677 179342039 /nfs/dbraw/zinc/34/20/39/179342039.db2.gz JSWJMZVBJYGRDC-NSHDSACASA-N 1 0 202.261 1.135 10 0 BDAERO Cc1ccccc1[C@](C)([NH2+]C(C)C)C(N)=O ZINC000037446564 179350690 /nfs/dbraw/zinc/35/06/90/179350690.db2.gz XYPDGINNNFIPDP-ZDUSSCGKSA-N 1 0 220.316 1.694 10 0 BDAERO Cc1ccccc1[C@](C)(O)C[NH2+]C1CC1 ZINC000055033196 179350955 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362879137 /nfs/dbraw/zinc/87/91/37/362879137.db2.gz DNTNHNLACRNFEQ-DCAQKATOSA-N 1 0 214.378 1.694 10 0 BDAERO Cc1cccnc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129059025 179392049 /nfs/dbraw/zinc/39/20/49/179392049.db2.gz JLTVPTAFQOFUIC-SECBINFHSA-N 1 0 219.288 1.184 10 0 BDAERO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000037321415 348319845 /nfs/dbraw/zinc/31/98/45/348319845.db2.gz IFFDJOXKDQNAID-QWHCGFSZSA-N 1 0 248.326 1.179 10 0 BDAERO CC(C)[C@H]([NH3+])CN1C[C@@H](C)O[C@H](C)C1 ZINC000251741771 362903182 /nfs/dbraw/zinc/90/31/82/362903182.db2.gz RJIKSUQLRVKBAC-GMTAPVOTSA-N 1 0 200.326 1.079 10 0 BDAERO CC[C@]1(C(=O)OC)O[C@]1(C)CC[NH+](C)C ZINC000669382691 538005490 /nfs/dbraw/zinc/00/54/90/538005490.db2.gz JAZQCUHENSBYAJ-GHMZBOCLSA-N 1 0 215.293 1.049 10 0 BDAERO Cc1ccc([C@@]2(O)CC[N@@H+](C)[C@@H]2C)cc1 ZINC000205063916 348445432 /nfs/dbraw/zinc/44/54/32/348445432.db2.gz CERVKVQTOIGOHT-DGCLKSJQSA-N 1 0 205.301 1.907 10 0 BDAERO CCSC1(CN[C@H]2CC[NH2+]C2)CC1 ZINC000596651348 348606251 /nfs/dbraw/zinc/60/62/51/348606251.db2.gz NENRMWYPAOWHFG-VIFPVBQESA-N 1 0 200.351 1.224 10 0 BDAERO Cc1cnc(N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000063049068 179620987 /nfs/dbraw/zinc/62/09/87/179620987.db2.gz UKFSNKXBYAIUAD-NWDGAFQWSA-N 1 0 232.331 1.506 10 0 BDAERO Cc1noc(CC[NH2+][C@H]2CCC2(C)C)n1 ZINC000308835632 348771343 /nfs/dbraw/zinc/77/13/43/348771343.db2.gz LBNRXCOIDHTYTM-VIFPVBQESA-N 1 0 209.293 1.699 10 0 BDAERO COc1ccc2c(c1OC)[C@]1(C[C@@H]1[NH3+])CN2 ZINC000725247090 538011209 /nfs/dbraw/zinc/01/12/09/538011209.db2.gz GVXDJLNWHRCJIC-JOYOIKCWSA-N 1 0 220.272 1.098 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1nccn1C ZINC000070007759 490193953 /nfs/dbraw/zinc/19/39/53/490193953.db2.gz BDNMJRMTMJOSDG-AXFHLTTASA-N 1 0 223.320 1.374 10 0 BDAERO CCCc1nc([C@H]2CC[NH2+]C2)cc(=O)[nH]1 ZINC000669383685 538010766 /nfs/dbraw/zinc/01/07/66/538010766.db2.gz WYVFYPITLSVXLI-QMMMGPOBSA-N 1 0 207.277 1.212 10 0 BDAERO CN(C)c1ccc2c(c1)NC[C@@]21C[C@@H]1[NH3+] ZINC000725247137 538012359 /nfs/dbraw/zinc/01/23/59/538012359.db2.gz IPWOQVKMKPCIFH-RYUDHWBXSA-N 1 0 203.289 1.147 10 0 BDAERO CCCC1(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000226384805 168596771 /nfs/dbraw/zinc/59/67/71/168596771.db2.gz MBHZSPHRITYLJP-QWRGUYRKSA-N 1 0 224.348 1.810 10 0 BDAERO CCOc1ccc2c(c1)[C@@]1(C[C@@H]1[NH3+])CN2 ZINC000725247172 538014570 /nfs/dbraw/zinc/01/45/70/538014570.db2.gz JQJVMTCTBXSBMK-NWDGAFQWSA-N 1 0 204.273 1.480 10 0 BDAERO CCCC[C@@H](CC)CNC(=O)[C@@H](C)[NH2+]C ZINC000054076131 348878614 /nfs/dbraw/zinc/87/86/14/348878614.db2.gz NOGMDPZVMQVMBG-GHMZBOCLSA-N 1 0 214.353 1.927 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cccc(COC)c1 ZINC000054072892 348888661 /nfs/dbraw/zinc/88/86/61/348888661.db2.gz MCOSYMZZKFYDIL-SECBINFHSA-N 1 0 222.288 1.379 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NC(C1CC1)C1CC1 ZINC000054308679 348974837 /nfs/dbraw/zinc/97/48/37/348974837.db2.gz IGIMALGVUMPKDA-JTQLQIEISA-N 1 0 236.359 1.681 10 0 BDAERO Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000054305763 348979071 /nfs/dbraw/zinc/97/90/71/348979071.db2.gz FVXZNLZJEIGCQV-NSHDSACASA-N 1 0 233.315 1.718 10 0 BDAERO COc1ccc([C@@H]2C[C@H]([NH3+])CCN2C)cc1 ZINC000250607604 538020126 /nfs/dbraw/zinc/02/01/26/538020126.db2.gz LSCGLSNJHNUZCK-YPMHNXCESA-N 1 0 220.316 1.789 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](C)COC ZINC000246439428 349098200 /nfs/dbraw/zinc/09/82/00/349098200.db2.gz HRPWSAAWDDZUFN-MJBXVCDLSA-N 1 0 240.391 1.828 10 0 BDAERO C/C=C/C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616571805 349061191 /nfs/dbraw/zinc/06/11/91/349061191.db2.gz SAIASDZWJICAKF-QVUUGQCCSA-N 1 0 244.338 1.906 10 0 BDAERO CC(C)C(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616572891 349063820 /nfs/dbraw/zinc/06/38/20/349063820.db2.gz QGPRGOGXLBVXBZ-JTQLQIEISA-N 1 0 220.316 1.979 10 0 BDAERO CC(C)=CC(=O)N1CCC2(C[NH2+]C2)CC1 ZINC000616571960 349064488 /nfs/dbraw/zinc/06/44/88/349064488.db2.gz OVGNVGNGZUFVHK-UHFFFAOYSA-N 1 0 208.305 1.165 10 0 BDAERO CC[C@H]1CCN(C(=O)CC2CC2)C[C@H]1[NH3+] ZINC000616573013 349064549 /nfs/dbraw/zinc/06/45/49/349064549.db2.gz YKZGQIPHHZVJCE-WDEREUQCSA-N 1 0 210.321 1.372 10 0 BDAERO COCCC[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616577844 349119160 /nfs/dbraw/zinc/11/91/60/349119160.db2.gz MZMZTWYZUOXUNI-LBPRGKRZSA-N 1 0 224.348 1.239 10 0 BDAERO Cc1csc(NC(=O)C[C@@H]2CCC[NH2+]C2)n1 ZINC000054305688 179785086 /nfs/dbraw/zinc/78/50/86/179785086.db2.gz LHOFEWXONVBPPW-VIFPVBQESA-N 1 0 239.344 1.780 10 0 BDAERO Cc1cc(=O)c(OC2CC[NH2+]CC2)co1 ZINC000616581078 349261108 /nfs/dbraw/zinc/26/11/08/349261108.db2.gz NGDHTZDHWIBUNU-UHFFFAOYSA-N 1 0 209.245 1.079 10 0 BDAERO c1cc2[nH]nc3c2c(c1)[C@H]1CCC[NH2+][C@@H]1C3 ZINC000060039917 349264122 /nfs/dbraw/zinc/26/41/22/349264122.db2.gz ZFOZPCILROUMEK-LDYMZIIASA-N 1 0 213.284 1.955 10 0 BDAERO C[C@H]1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1 ZINC000211672948 349279235 /nfs/dbraw/zinc/27/92/35/349279235.db2.gz KJUJFXNZAAIFQZ-UWVGGRQHSA-N 1 0 228.336 1.899 10 0 BDAERO CCN(CCO)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382251094 349331677 /nfs/dbraw/zinc/33/16/77/349331677.db2.gz VCKSETJRNAXSRJ-XQQFMLRXSA-N 1 0 226.364 1.079 10 0 BDAERO CC(=O)N1C[C@@H](CC[NH3+])Nc2ccccc21 ZINC000616583312 349307868 /nfs/dbraw/zinc/30/78/68/349307868.db2.gz HHVIHGSKUCGXCD-SNVBAGLBSA-N 1 0 219.288 1.182 10 0 BDAERO C[C@H](C[NH3+])Nc1ccnc(C(F)(F)F)c1 ZINC000212242839 349312141 /nfs/dbraw/zinc/31/21/41/349312141.db2.gz OBYNOXYAQKXPIE-ZCFIWIBFSA-N 1 0 219.210 1.860 10 0 BDAERO CCCC1(O)CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000336554595 168603386 /nfs/dbraw/zinc/60/33/86/168603386.db2.gz JFFGWOUPFVIPAJ-STQMWFEESA-N 1 0 241.375 1.917 10 0 BDAERO Cc1nc(C)n(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000041671554 179921595 /nfs/dbraw/zinc/92/15/95/179921595.db2.gz DTEMSKSCFJLCRG-NSHDSACASA-N 1 0 208.309 1.427 10 0 BDAERO Cc1nc(C)n([C@@H](C[NH3+])c2cccc(F)c2)n1 ZINC000042973259 179923032 /nfs/dbraw/zinc/92/30/32/179923032.db2.gz PDHFHKKEXIQNIW-LBPRGKRZSA-N 1 0 234.278 1.582 10 0 BDAERO CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000124009057 490270755 /nfs/dbraw/zinc/27/07/55/490270755.db2.gz HDHVSAMYZPVSLB-NEPJUHHUSA-N 1 0 237.347 1.376 10 0 BDAERO C[C@@H]1CC[N@H+](CCC(N)=S)[C@H](C)C1 ZINC000051731995 350079596 /nfs/dbraw/zinc/07/95/96/350079596.db2.gz ARHPFUQXUGOUMK-RKDXNWHRSA-N 1 0 200.351 1.783 10 0 BDAERO CC(C)CN1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000051770378 350104589 /nfs/dbraw/zinc/10/45/89/350104589.db2.gz VISJHKSACUGVTO-KBPBESRZSA-N 1 0 240.391 1.564 10 0 BDAERO CC(C)(C)C(=[NH2+])NC[C@H]1COCCO1 ZINC000062991402 350112123 /nfs/dbraw/zinc/11/21/23/350112123.db2.gz RLMGDJDSXSSBLH-QMMMGPOBSA-N 1 0 200.282 1.015 10 0 BDAERO Cc1nc(N)sc1S[C@@H]1CCC[NH2+]C1 ZINC000043501729 180001437 /nfs/dbraw/zinc/00/14/37/180001437.db2.gz DHGMVJWAPILPGH-SSDOTTSWSA-N 1 0 229.374 1.878 10 0 BDAERO Cc1nc(N2CCO[C@@H](C)C2)sc1C[NH3+] ZINC000054995682 180003013 /nfs/dbraw/zinc/00/30/13/180003013.db2.gz RMMUYDKYLHRYFQ-ZETCQYMHSA-N 1 0 227.333 1.135 10 0 BDAERO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1C[NH3+] ZINC000054995430 180003313 /nfs/dbraw/zinc/00/33/13/180003313.db2.gz PZMPUDOKOVMHMP-OCAPTIKFSA-N 1 0 241.360 1.524 10 0 BDAERO CC(C)Oc1cncc(N2CCC[NH2+]CC2)n1 ZINC000071175190 350089963 /nfs/dbraw/zinc/08/99/63/350089963.db2.gz TULBCVWOMHVBTL-UHFFFAOYSA-N 1 0 236.319 1.064 10 0 BDAERO CCNC(=O)NC[C@H]([NH3+])C1CCC(C)(C)CC1 ZINC000725255019 538049953 /nfs/dbraw/zinc/04/99/53/538049953.db2.gz OHGKSTNKPZNQFW-NSHDSACASA-N 1 0 241.379 1.849 10 0 BDAERO Cc1nc2cc([C@@H](O)C[NH3+])ccc2s1 ZINC000082594617 180086209 /nfs/dbraw/zinc/08/62/09/180086209.db2.gz YMGZVPBBSIKGBW-VIFPVBQESA-N 1 0 208.286 1.597 10 0 BDAERO COCCC1(C[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000304224955 350145230 /nfs/dbraw/zinc/14/52/30/350145230.db2.gz ISXDQPBHALSKJC-LLVKDONJSA-N 1 0 229.364 1.800 10 0 BDAERO CCc1nc(C)cc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000304375755 350156191 /nfs/dbraw/zinc/15/61/91/350156191.db2.gz VOAIVVHNOTYDIW-DTWKUNHWSA-N 1 0 222.336 1.885 10 0 BDAERO CC(C)OCCC[NH+]1[C@H](C)COC[C@H]1C ZINC000133181080 191038249 /nfs/dbraw/zinc/03/82/49/191038249.db2.gz VBGRTQZGQOJEAV-VXGBXAGGSA-N 1 0 215.337 1.911 10 0 BDAERO C[N@@H+]1C[C@](C)(O)[C@](C)(O)C[C@H]1c1ccccc1 ZINC000033886339 350168202 /nfs/dbraw/zinc/16/82/02/350168202.db2.gz ZHQCINFMVJHYIV-MJBXVCDLSA-N 1 0 235.327 1.565 10 0 BDAERO CCC(CC)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257501 538063602 /nfs/dbraw/zinc/06/36/02/538063602.db2.gz OUXPJUSCVGFQGL-UHFFFAOYSA-N 1 0 248.334 1.498 10 0 BDAERO Cc1ncc(C[N@H+]2CCC[C@H](O)[C@H]2C)s1 ZINC000295025680 180142717 /nfs/dbraw/zinc/14/27/17/180142717.db2.gz NMEIIZIPYCJMRQ-KCJUWKMLSA-N 1 0 226.345 1.797 10 0 BDAERO CC(C)=CC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000309607032 191062879 /nfs/dbraw/zinc/06/28/79/191062879.db2.gz LNUHOMYKIGAQLA-AAEUAGOBSA-N 1 0 222.332 1.599 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCC[C@H](O)C2)s1 ZINC000037797599 180156813 /nfs/dbraw/zinc/15/68/13/180156813.db2.gz UAYPUCONWTVJOW-ZJUUUORDSA-N 1 0 226.345 1.845 10 0 BDAERO [NH3+]Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000220924607 350190622 /nfs/dbraw/zinc/19/06/22/350190622.db2.gz MMQCDYDLQBMCQE-UHFFFAOYSA-N 1 0 221.228 1.142 10 0 BDAERO Cc1nccc(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000129208111 180192303 /nfs/dbraw/zinc/19/23/03/180192303.db2.gz GIUUDMYVJLZZNR-GXFFZTMASA-N 1 0 246.358 1.500 10 0 BDAERO Cc1nccc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000054937497 180207653 /nfs/dbraw/zinc/20/76/53/180207653.db2.gz QOQFMBZRZIPYPS-NSHDSACASA-N 1 0 221.304 1.554 10 0 BDAERO Cc1nccc(C[NH2+]CCOC2CCCC2)n1 ZINC000111635210 180189696 /nfs/dbraw/zinc/18/96/96/180189696.db2.gz VNHOEQZGSBFNAZ-UHFFFAOYSA-N 1 0 235.331 1.834 10 0 BDAERO Cc1ncccc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335596296 180227064 /nfs/dbraw/zinc/22/70/64/180227064.db2.gz JQSNHSKFRNOHGH-ONGXEEELSA-N 1 0 233.315 1.717 10 0 BDAERO Clc1ccnc2c1cnn2C1C[NH2+]C1 ZINC000725258832 538077209 /nfs/dbraw/zinc/07/72/09/538077209.db2.gz FMWWTTFHMUBBII-UHFFFAOYSA-N 1 0 208.652 1.229 10 0 BDAERO COC1(OC)CCC2(COC2)C[C@@H]1CC[NH3+] ZINC000725261673 538086975 /nfs/dbraw/zinc/08/69/75/538086975.db2.gz BEPDVXHOEKOREB-JTQLQIEISA-N 1 0 229.320 1.141 10 0 BDAERO Cc1nccn1Cc1csc(C[NH3+])n1 ZINC000052576125 180268746 /nfs/dbraw/zinc/26/87/46/180268746.db2.gz INWUKJNJQVNGLO-UHFFFAOYSA-N 1 0 208.290 1.155 10 0 BDAERO Cc1nccn1Cc1cccc(C(N)=[NH2+])c1 ZINC000019426727 180269662 /nfs/dbraw/zinc/26/96/62/180269662.db2.gz OTFFWQFXFVOGTP-UHFFFAOYSA-N 1 0 214.272 1.524 10 0 BDAERO CCCc1nsc(NC[C@@H]([NH3+])CC)n1 ZINC000083670831 350285572 /nfs/dbraw/zinc/28/55/72/350285572.db2.gz QRTGYTYFNAJRHA-ZETCQYMHSA-N 1 0 214.338 1.640 10 0 BDAERO Cc1nccn1[C@H](C[NH3+])c1ccc(F)cc1 ZINC000042915852 180270725 /nfs/dbraw/zinc/27/07/25/180270725.db2.gz YPHRCPHFHOTUKG-GFCCVEGCSA-N 1 0 219.263 1.879 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CS1 ZINC000324403870 350296284 /nfs/dbraw/zinc/29/62/84/350296284.db2.gz IEMVNYVNOJGMCA-KXUCPTDWSA-N 1 0 217.378 1.877 10 0 BDAERO Cc1ncn([C@H](c2cnn(C)c2)[C@@H](C)[NH3+])c1C ZINC000051925762 180288815 /nfs/dbraw/zinc/28/88/15/180288815.db2.gz LVJAJKGQJFBQTJ-PELKAZGASA-N 1 0 233.319 1.170 10 0 BDAERO Cc1nccnc1SC[C@H]1CCC[NH2+]1 ZINC000095068815 180279965 /nfs/dbraw/zinc/27/99/65/180279965.db2.gz RLJVRPRTMUWYDK-SECBINFHSA-N 1 0 209.318 1.629 10 0 BDAERO Cc1nccnc1OCCC1CC[NH2+]CC1 ZINC000095069469 180280078 /nfs/dbraw/zinc/28/00/78/180280078.db2.gz VPINGDCQCORAOD-UHFFFAOYSA-N 1 0 221.304 1.554 10 0 BDAERO Cc1nccnc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000095069444 180280261 /nfs/dbraw/zinc/28/02/61/180280261.db2.gz YKZUVXXQQWXMLU-UWVGGRQHSA-N 1 0 206.293 1.467 10 0 BDAERO CC[C@@H]1CCCN1C(=O)n1cc[n+](C)c1 ZINC000037914819 350290930 /nfs/dbraw/zinc/29/09/30/350290930.db2.gz KSFJKXLATMKCPM-SNVBAGLBSA-N 1 0 208.285 1.155 10 0 BDAERO Cc1ncn(-c2ccc(C[NH3+])cn2)c1C ZINC000051925512 180285732 /nfs/dbraw/zinc/28/57/32/180285732.db2.gz ORKDGVLUQZQRAR-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO OC[C@@H]1CCC[N@@H+]([C@@H]2CCOC23CCCC3)C1 ZINC000725263863 538090484 /nfs/dbraw/zinc/09/04/84/538090484.db2.gz SSCYZQZWFKQBFM-CHWSQXEVSA-N 1 0 239.359 1.792 10 0 BDAERO O=C(N[C@H]1CCCC12CC[NH2+]CC2)C1CCC1 ZINC000725264076 538090596 /nfs/dbraw/zinc/09/05/96/538090596.db2.gz IMXCWKQLHMABBJ-LBPRGKRZSA-N 1 0 236.359 1.825 10 0 BDAERO O[C@@]1(c2cccc(Br)c2)CC[NH2+]C1 ZINC000212586190 538089935 /nfs/dbraw/zinc/08/99/35/538089935.db2.gz CUESKQLGGLPUKC-JTQLQIEISA-N 1 0 242.116 1.630 10 0 BDAERO Cc1ncsc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335913148 180303234 /nfs/dbraw/zinc/30/32/34/180303234.db2.gz CRRBBYRBTSLFJE-JGVFFNPUSA-N 1 0 225.317 1.013 10 0 BDAERO Cc1ccccc1[C@H](C)NC(=O)C[NH2+]C1CC1 ZINC000040419333 350363110 /nfs/dbraw/zinc/36/31/10/350363110.db2.gz ASIISQRLQIYNJC-NSHDSACASA-N 1 0 232.327 1.924 10 0 BDAERO Cc1ncsc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038049437 180308164 /nfs/dbraw/zinc/30/81/64/180308164.db2.gz VTWKZLBWSYMOKE-BDAKNGLRSA-N 1 0 239.344 1.451 10 0 BDAERO Cc1nn(-c2cc(C[NH3+])ccn2)c(C)c1Cl ZINC000050585724 180326461 /nfs/dbraw/zinc/32/64/61/180326461.db2.gz 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UDLCTACRBZOSQT-GFCCVEGCSA-N 1 0 226.364 1.318 10 0 BDAERO [NH3+][C@@H]1CC=C(C(=O)c2ccccc2F)C1 ZINC000226562712 350440727 /nfs/dbraw/zinc/44/07/27/350440727.db2.gz DPSDELVPBGMLCR-DTWKUNHWSA-N 1 0 205.232 1.912 10 0 BDAERO Cc1coc(-c2cnnn2[C@@H]2CCC[NH2+]CC2)n1 ZINC000725266045 538093798 /nfs/dbraw/zinc/09/37/98/538093798.db2.gz HNZDAFAZBJYOIP-SNVBAGLBSA-N 1 0 247.302 1.556 10 0 BDAERO Fc1ccc(-c2cnnn2[C@H]2CC[NH2+]C2)cn1 ZINC000725266159 538093816 /nfs/dbraw/zinc/09/38/16/538093816.db2.gz QWSWGRYPZHINLU-VIFPVBQESA-N 1 0 233.250 1.014 10 0 BDAERO Cc1nn2ccn(C3CCCC3)c2c1C(N)=[NH2+] ZINC000409437244 350480289 /nfs/dbraw/zinc/48/02/89/350480289.db2.gz FHEMYQXZXWZFRM-UHFFFAOYSA-N 1 0 231.303 1.843 10 0 BDAERO COc1ccc([C@@H]2C[C@H](CO)C[N@@H+]2C)cc1 ZINC000409438983 350481063 /nfs/dbraw/zinc/48/10/63/350481063.db2.gz FKCYFHAVLYRXJN-GWCFXTLKSA-N 1 0 221.300 1.680 10 0 BDAERO Cc1nn([C@H]2COCC[C@H]2[NH3+])c(C)c1C ZINC000040729333 180393110 /nfs/dbraw/zinc/39/31/10/180393110.db2.gz OMWCMAUBNWDRNR-MNOVXSKESA-N 1 0 209.293 1.097 10 0 BDAERO Cc1ccc(C[N@@H+]2CC[C@H](CCO)C2)o1 ZINC000163081428 350501910 /nfs/dbraw/zinc/50/19/10/350501910.db2.gz UPKCVMGDKHZNGA-LLVKDONJSA-N 1 0 209.289 1.792 10 0 BDAERO Cc1nn(CCO)c2ncc(C[NH2+]C(C)C)cc12 ZINC000104323467 180389401 /nfs/dbraw/zinc/38/94/01/180389401.db2.gz SJLIAFLOZHQALY-UHFFFAOYSA-N 1 0 248.330 1.230 10 0 BDAERO Cc1nn(C[C@H]2CCOC2)c(C)c1[C@H](C)[NH3+] ZINC000054716544 180390592 /nfs/dbraw/zinc/39/05/92/180390592.db2.gz POGDWTQGABNQME-GZMMTYOYSA-N 1 0 223.320 1.556 10 0 BDAERO Cc1nn(C[C@@H](C)C[NH3+])c(C)c1Cl ZINC000020313444 180390757 /nfs/dbraw/zinc/39/07/57/180390757.db2.gz ZYPVPSYQJRGGIV-LURJTMIESA-N 1 0 201.701 1.748 10 0 BDAERO CC(C)[C@H](CO)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000348300566 323378364 /nfs/dbraw/zinc/37/83/64/323378364.db2.gz HAPXQMWCXNDXNP-UMSGYPCISA-N 1 0 241.375 1.654 10 0 BDAERO Cc1nnc(C[C@@H](C)[NH3+])n1C1CCCC1 ZINC000042039101 180417556 /nfs/dbraw/zinc/41/75/56/180417556.db2.gz YTXHNYQHSWNCRK-MRVPVSSYSA-N 1 0 208.309 1.591 10 0 BDAERO COc1ccc2[nH]c(C[C@H](C)[NH3+])nc2c1 ZINC000083187335 538095703 /nfs/dbraw/zinc/09/57/03/538095703.db2.gz TXRFXVOQKFYPSR-ZETCQYMHSA-N 1 0 205.261 1.461 10 0 BDAERO CCN1CCC(=O)C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266465 538095877 /nfs/dbraw/zinc/09/58/77/538095877.db2.gz UWAXAVSGHBOCSF-UHFFFAOYSA-N 1 0 238.375 1.961 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2ccnnc2)CC1 ZINC000616593701 350584266 /nfs/dbraw/zinc/58/42/66/350584266.db2.gz ATAKYTXIYMMYOF-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO Cc1nnc(Sc2ccc(C[NH3+])cc2)o1 ZINC000051038296 180440503 /nfs/dbraw/zinc/44/05/03/180440503.db2.gz AOASCRBNCMLMRG-UHFFFAOYSA-N 1 0 221.285 1.988 10 0 BDAERO c1ccc2c(c1)nncc2[C@H]1CC[NH2+]CCO1 ZINC000616594523 350596239 /nfs/dbraw/zinc/59/62/39/350596239.db2.gz QIWJGKUXMDMTBZ-CYBMUJFWSA-N 1 0 229.283 1.681 10 0 BDAERO CC(C)(C[NH3+])NC(=O)C(C)(C)c1ccccc1 ZINC000063020232 350597206 /nfs/dbraw/zinc/59/72/06/350597206.db2.gz HIPNWWNDJKOKDL-UHFFFAOYSA-N 1 0 234.343 1.818 10 0 BDAERO OC[C@H](CC[NH2+]C1CCCCC1)[C@H]1CCOC1 ZINC000725266767 538097041 /nfs/dbraw/zinc/09/70/41/538097041.db2.gz CDDDLZCFKHFQKM-STQMWFEESA-N 1 0 241.375 1.944 10 0 BDAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000575185329 350618898 /nfs/dbraw/zinc/61/88/98/350618898.db2.gz VTODAFSXZLGBCH-IYKVGLELSA-N 1 0 240.347 1.186 10 0 BDAERO CCN1CC[NH+](C[C@H]2C[C@@]2(CO)C(C)C)CC1 ZINC000725267251 538097288 /nfs/dbraw/zinc/09/72/88/538097288.db2.gz QLWTWGVXIWMMSA-ZIAGYGMSSA-N 1 0 240.391 1.279 10 0 BDAERO C[C@@H]1C[S@](=O)[C@H]2CCCCC[C@@H]2[NH2+]1 ZINC000251869494 362971993 /nfs/dbraw/zinc/97/19/93/362971993.db2.gz TXIFGPICWRUUJA-QYTUQVAYSA-N 1 0 201.335 1.428 10 0 BDAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384896443 350624071 /nfs/dbraw/zinc/62/40/71/350624071.db2.gz MJDXFEZOGUBRCL-WDEREUQCSA-N 1 0 242.363 1.136 10 0 BDAERO Cc1nnc([C@H]2C[NH2+]C[C@H]2C)n1-c1ccccc1 ZINC000104211242 180447260 /nfs/dbraw/zinc/44/72/60/180447260.db2.gz MGDOSGPWIOPCPB-MFKMUULPSA-N 1 0 242.326 1.899 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@@H]1COC(C)(C)O1 ZINC000725266878 538097414 /nfs/dbraw/zinc/09/74/14/538097414.db2.gz KYQRZQUNARWBGI-TUAOUCFPSA-N 1 0 245.363 1.525 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2nc[nH]n2)CC1 ZINC000616595416 350607697 /nfs/dbraw/zinc/60/76/97/350607697.db2.gz LKXZHGBRXQIPBQ-SECBINFHSA-N 1 0 224.308 1.367 10 0 BDAERO C[N@@H+]1CCOC[C@@H](c2cccc3ccnnc32)C1 ZINC000616596851 350637754 /nfs/dbraw/zinc/63/77/54/350637754.db2.gz CUMDIKUJNKUCEV-LBPRGKRZSA-N 1 0 243.310 1.675 10 0 BDAERO Nc1ccc([C@@H]2COCCC[N@@H+]2CCO)cc1 ZINC000616596649 350634311 /nfs/dbraw/zinc/63/43/11/350634311.db2.gz GNFFHNFWRBRJSG-ZDUSSCGKSA-N 1 0 236.315 1.025 10 0 BDAERO CC(=O)Nc1ccccc1[C@@H]1COCCC[NH2+]1 ZINC000616597067 350636442 /nfs/dbraw/zinc/63/64/42/350636442.db2.gz MHHZQCIZTQANKL-ZDUSSCGKSA-N 1 0 234.299 1.696 10 0 BDAERO c1cnc2ccc([C@H]3C[NH2+]CCOC3)cc2c1 ZINC000616597755 350653735 /nfs/dbraw/zinc/65/37/35/350653735.db2.gz KTAWUOLMKSCCFB-ZDUSSCGKSA-N 1 0 228.295 1.938 10 0 BDAERO Nc1ccc([C@@H]2CCOCC[N@@H+]2CCO)cc1 ZINC000616598740 350688059 /nfs/dbraw/zinc/68/80/59/350688059.db2.gz VBYOAOFDALJYBJ-ZDUSSCGKSA-N 1 0 236.315 1.025 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+]C[C@H](C)[S@@](=O)[C@H]2C1 ZINC000251896002 362979938 /nfs/dbraw/zinc/97/99/38/362979938.db2.gz SDWANRATIRKIFV-STDGDXHASA-N 1 0 201.335 1.284 10 0 BDAERO OCCc1ccc([C@@H]2CC[N@@H+](CCO)C2)cc1 ZINC000616614021 350819566 /nfs/dbraw/zinc/81/95/66/350819566.db2.gz ABCUTIOVCDWVOO-CQSZACIVSA-N 1 0 235.327 1.003 10 0 BDAERO Nc1ccccc1[C@H]1CCC[N@H+](CCO)CC1 ZINC000616601895 350786865 /nfs/dbraw/zinc/78/68/65/350786865.db2.gz VMIRWCKHGPRFMH-LBPRGKRZSA-N 1 0 234.343 1.831 10 0 BDAERO Nc1ccccc1[C@H]1CCCN(CC[NH3+])CC1 ZINC000616601900 350789813 /nfs/dbraw/zinc/78/98/13/350789813.db2.gz VQMCLEQJYPKUPW-LBPRGKRZSA-N 1 0 233.359 1.797 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2ccccc2CO)CC1 ZINC000616602304 350790941 /nfs/dbraw/zinc/79/09/41/350790941.db2.gz XDNMCDFDGHGXEV-CYBMUJFWSA-N 1 0 248.370 1.707 10 0 BDAERO C[C@H](O)C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000306674295 350822992 /nfs/dbraw/zinc/82/29/92/350822992.db2.gz QCONZSAGQGFNEB-GUBZILKMSA-N 1 0 246.351 1.259 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2ccno2)C1 ZINC000616605262 350794133 /nfs/dbraw/zinc/79/41/33/350794133.db2.gz WQRIYTMNODSYIL-JTQLQIEISA-N 1 0 210.277 1.236 10 0 BDAERO OCC[N@@H+]1CCCCC[C@@H]1c1cnc[nH]1 ZINC000616605287 350794368 /nfs/dbraw/zinc/79/43/68/350794368.db2.gz JOBNROQRXZSPIW-LLVKDONJSA-N 1 0 209.293 1.319 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616606322 350797551 /nfs/dbraw/zinc/79/75/51/350797551.db2.gz BLDZWYGOOMENNX-GFCCVEGCSA-N 1 0 218.300 1.942 10 0 BDAERO C[N@@H+]1CCC[C@H]1c1ccc(CCO)cc1 ZINC000616607639 350801928 /nfs/dbraw/zinc/80/19/28/350801928.db2.gz WGPCARBESMRMBU-ZDUSSCGKSA-N 1 0 205.301 1.988 10 0 BDAERO NC(NCc1ccccc1)=[NH+]N1CCCCC1 ZINC000306677546 350830406 /nfs/dbraw/zinc/83/04/06/350830406.db2.gz ZCWNJJHGKBIULA-UHFFFAOYSA-N 1 0 232.331 1.701 10 0 BDAERO C[C@@H]1OCC[C@]1(C)NC(=[NH2+])NCc1ccccc1 ZINC000306695170 350846589 /nfs/dbraw/zinc/84/65/89/350846589.db2.gz USUQVKMIMDLHID-FZMZJTMJSA-N 1 0 247.342 1.868 10 0 BDAERO C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000248035621 350854623 /nfs/dbraw/zinc/85/46/23/350854623.db2.gz JKXQRHRSEWMWBN-KBPBESRZSA-N 1 0 234.343 1.089 10 0 BDAERO CC1(C)CS[C@](C)([C@H]2CCCO2)[NH2+]1 ZINC000306708373 350856546 /nfs/dbraw/zinc/85/65/46/350856546.db2.gz OFZSFRSGSDMIQH-PSASIEDQSA-N 1 0 201.335 1.997 10 0 BDAERO CC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251684687 350901183 /nfs/dbraw/zinc/90/11/83/350901183.db2.gz HZFUBBKKQCFBQD-PWSUYJOCSA-N 1 0 210.321 1.134 10 0 BDAERO C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[S@](=O)C(C)C ZINC000251779184 350903015 /nfs/dbraw/zinc/90/30/15/350903015.db2.gz FKITVJGQWLDORK-BBGACYKPSA-N 1 0 217.378 1.920 10 0 BDAERO NC(=[NH2+])Nc1ccc(F)cc1Br ZINC000052091883 350917512 /nfs/dbraw/zinc/91/75/12/350917512.db2.gz ODFQJTMPNBJWRP-UHFFFAOYSA-N 1 0 232.056 1.894 10 0 BDAERO [NH3+]CCN1CCC(c2ccc(CCO)cc2)CC1 ZINC000616619104 350926478 /nfs/dbraw/zinc/92/64/78/350926478.db2.gz CPFPFPYEXSUGOZ-UHFFFAOYSA-N 1 0 248.370 1.360 10 0 BDAERO Cc1ccc(C[N@@H+](C)CCN(C)CCO)cc1 ZINC000623091576 350876137 /nfs/dbraw/zinc/87/61/37/350876137.db2.gz IUBCCEAHZFGYNC-UHFFFAOYSA-N 1 0 236.359 1.351 10 0 BDAERO C[C@@H](NC(N)=[NH2+])c1ccc(Cl)s1 ZINC000052020358 350888790 /nfs/dbraw/zinc/88/87/90/350888790.db2.gz MCNUOOBBFBLIRX-SCSAIBSYSA-N 1 0 203.698 1.946 10 0 BDAERO C[C@@H]([NH3+])c1csc(-c2cn(C)cn2)n1 ZINC000306724791 350894214 /nfs/dbraw/zinc/89/42/14/350894214.db2.gz JFWRUIHUUVQTDH-ZCFIWIBFSA-N 1 0 208.290 1.563 10 0 BDAERO O[C@@H](c1ccc(Cl)s1)[C@@H]1C=CC[NH2+]1 ZINC000306725228 350894816 /nfs/dbraw/zinc/89/48/16/350894816.db2.gz KEBCWLRXGPLFJL-IMTBSYHQSA-N 1 0 215.705 1.963 10 0 BDAERO CNc1ccccc1C1CC[NH+](CCO)CC1 ZINC000616620372 350939235 /nfs/dbraw/zinc/93/92/35/350939235.db2.gz YAMOEYDNLARNEX-UHFFFAOYSA-N 1 0 234.343 1.900 10 0 BDAERO O=[S@@](CC1C[NH2+]C1)C1CCCCCC1 ZINC000129058313 350973408 /nfs/dbraw/zinc/97/34/08/350973408.db2.gz BWUGJXZDMYDHMG-CQSZACIVSA-N 1 0 215.362 1.677 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000052287416 350978653 /nfs/dbraw/zinc/97/86/53/350978653.db2.gz PYJATDZWCKTVRI-CMPLNLGQSA-N 1 0 218.300 1.301 10 0 BDAERO COc1ccc(C(=O)[C@@H]2C[NH2+]C[C@@H]2C)s1 ZINC000306770637 351003732 /nfs/dbraw/zinc/00/37/32/351003732.db2.gz BVOVNYJKKXNQQL-JGVFFNPUSA-N 1 0 225.313 1.795 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000616620646 350945380 /nfs/dbraw/zinc/94/53/80/350945380.db2.gz JLPGEOCLIZPBEP-HNNXBMFYSA-N 1 0 248.370 1.360 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2ccc(F)cc2)C1 ZINC000616620886 350945399 /nfs/dbraw/zinc/94/53/99/350945399.db2.gz NCGHLZPJICYUBU-LBPRGKRZSA-N 1 0 222.307 1.964 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H](CO)CC(F)(F)F ZINC000577610350 366017483 /nfs/dbraw/zinc/01/74/83/366017483.db2.gz FLHZAZOPXOWVMK-HTQZYQBOSA-N 1 0 243.269 1.296 10 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CC1(C)[C@H](NC(=O)NCc2ccccc2)C[C@@H]1[NH3+] ZINC000232308266 352614693 /nfs/dbraw/zinc/61/46/93/352614693.db2.gz USQKMDAXOYFDHO-NWDGAFQWSA-N 1 0 247.342 1.612 10 0 BDAERO Fc1ccc(Br)c(NC2C[NH2+]C2)c1 ZINC000232239819 352562194 /nfs/dbraw/zinc/56/21/94/352562194.db2.gz XLWNFQPWTQXMJO-UHFFFAOYSA-N 1 0 245.095 1.972 10 0 BDAERO C/C(=C\Cl)CN1CC[C@H](C)[C@H]([NH3+])C1 ZINC000300401354 352562799 /nfs/dbraw/zinc/56/27/99/352562799.db2.gz WJWQHBJCNRSDNV-AIYFBYTFSA-N 1 0 202.729 1.798 10 0 BDAERO C[C@@H]1CCS[C@]2(CCOC[C@H]2C)[NH2+]1 ZINC000300950569 352579942 /nfs/dbraw/zinc/57/99/42/352579942.db2.gz FKZFAWBORNNTFS-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO C[NH+]1CC(CNc2ccnc(Cl)n2)C1 ZINC000307405002 352580663 /nfs/dbraw/zinc/58/06/63/352580663.db2.gz CRVSZUFUXVPIEQ-UHFFFAOYSA-N 1 0 212.684 1.104 10 0 BDAERO [NH3+][C@@H]1CC[C@H](Cn2cc(Br)cn2)C1 ZINC000307535685 352641064 /nfs/dbraw/zinc/64/10/64/352641064.db2.gz OYGWKCMLOTUGKT-IONNQARKSA-N 1 0 244.136 1.773 10 0 BDAERO 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236.359 1.810 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC12CC2 ZINC000638808363 352985196 /nfs/dbraw/zinc/98/51/96/352985196.db2.gz ORDGANSHJHMBFD-WDEREUQCSA-N 1 0 224.348 1.810 10 0 BDAERO CC(C)[C@H](C)[NH+]1CCN(CC(C)(C)O)CC1 ZINC000318999177 538106181 /nfs/dbraw/zinc/10/61/81/538106181.db2.gz MNMMTPCTEHSJMD-LBPRGKRZSA-N 1 0 228.380 1.419 10 0 BDAERO CCc1nn(C)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000092393282 538106700 /nfs/dbraw/zinc/10/67/00/538106700.db2.gz MXQILWAIONHLKE-QWHCGFSZSA-N 1 0 237.347 1.376 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000638890211 353058172 /nfs/dbraw/zinc/05/81/72/353058172.db2.gz COMFUCPIMZAMQB-CABZTGNLSA-N 1 0 233.315 1.057 10 0 BDAERO Cc1ncccc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638891662 353059634 /nfs/dbraw/zinc/05/96/34/353059634.db2.gz GXWMYEVIOQYBBY-GXSJLCMTSA-N 1 0 233.315 1.057 10 0 BDAERO CC[C@@H]1C[S@](=O)C[C@H]([C@@H]2C[C@@H]2C)[NH2+]1 ZINC000307362529 353070907 /nfs/dbraw/zinc/07/09/07/353070907.db2.gz 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JKLGJJYCKQVJML-NWDGAFQWSA-N 1 0 214.353 1.341 10 0 BDAERO CC(=O)N(C[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000095082784 188318933 /nfs/dbraw/zinc/31/89/33/188318933.db2.gz BHFRKNWGITYJMN-SSDOTTSWSA-N 1 0 210.199 1.107 10 0 BDAERO CC(C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106425035 188324981 /nfs/dbraw/zinc/32/49/81/188324981.db2.gz VGBVGFUQXZXEHU-AWEZNQCLSA-N 1 0 248.370 1.932 10 0 BDAERO Cc1cc(N)n([C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000045658285 188325994 /nfs/dbraw/zinc/32/59/94/188325994.db2.gz GTLOEYLLLYCFKQ-SNVBAGLBSA-N 1 0 208.309 1.429 10 0 BDAERO CCOCCC1(CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000237040300 188326217 /nfs/dbraw/zinc/32/62/17/188326217.db2.gz WJWMLIADVJGWNP-NSHDSACASA-N 1 0 240.347 1.061 10 0 BDAERO Cn1cc[nH+]c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000050606564 188329223 /nfs/dbraw/zinc/32/92/23/188329223.db2.gz AXECLOGKBTZAFQ-JTQLQIEISA-N 1 0 208.309 1.174 10 0 BDAERO c1nc2n(n1)C[C@@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000122340339 188329446 /nfs/dbraw/zinc/32/94/46/188329446.db2.gz IHGGUAXTHLQONU-NEPJUHHUSA-N 1 0 232.331 1.539 10 0 BDAERO Cc1cccc([C@@H]2NC(=O)CC[C@H]2[NH3+])c1 ZINC000057492426 188355979 /nfs/dbraw/zinc/35/59/79/188355979.db2.gz INMIOKQUJKWLGG-PWSUYJOCSA-N 1 0 204.273 1.273 10 0 BDAERO C1=[NH+]C[C@H](CC2=Cc3ccccc3OC2)N1 ZINC000013862097 188343655 /nfs/dbraw/zinc/34/36/55/188343655.db2.gz AHXKOBNBPUNQDW-LBPRGKRZSA-N 1 0 214.268 1.853 10 0 BDAERO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CN(C)CCO1 ZINC000300859109 188348442 /nfs/dbraw/zinc/34/84/42/188348442.db2.gz GFZNEOBUGSJZTF-OLZOCXBDSA-N 1 0 228.380 1.589 10 0 BDAERO CC(C)C[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC000300989455 188350121 /nfs/dbraw/zinc/35/01/21/188350121.db2.gz VJGGBECANNUSGO-WDEREUQCSA-N 1 0 212.337 1.537 10 0 BDAERO C1CC[C@H]2[C@H](C1)OCCN2[C@@H]1CCCC[NH2+]C1 ZINC000054135448 188352567 /nfs/dbraw/zinc/35/25/67/188352567.db2.gz UUJIDHVTWPWIEF-RDBSUJKOSA-N 1 0 238.375 1.772 10 0 BDAERO COc1ccc([C@H](O)[C@@H](C)[NH3+])cc1OC ZINC000020216847 188352758 /nfs/dbraw/zinc/35/27/58/188352758.db2.gz JTIPLNDENHDFNZ-RDDDGLTNSA-N 1 0 211.261 1.084 10 0 BDAERO CC(C)Cn1cnnc1C1CC[NH2+]CC1 ZINC000054526214 188355025 /nfs/dbraw/zinc/35/50/25/188355025.db2.gz RAWIBCOEDNDILR-UHFFFAOYSA-N 1 0 208.309 1.401 10 0 BDAERO CC(C)Cn1cnnc1[C@H]([NH3+])C(C)(C)C ZINC000054526280 188355096 /nfs/dbraw/zinc/35/50/96/188355096.db2.gz WVLNPMWKOQWROI-VIFPVBQESA-N 1 0 210.325 1.980 10 0 BDAERO CC[C@@H]1CN(c2cc(C)ncc2C#N)CC[C@@H]1[NH3+] ZINC000398984935 353421414 /nfs/dbraw/zinc/42/14/14/353421414.db2.gz HPFXUYVBZSXGHM-YPMHNXCESA-N 1 0 244.342 1.825 10 0 BDAERO C[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000034652731 188359693 /nfs/dbraw/zinc/35/96/93/188359693.db2.gz FYQWWJQPDAXXJX-UHFFFAOYSA-N 1 0 206.224 1.126 10 0 BDAERO CC(C)(C)[C@]1(C)CC2(CC[NH2+]1)OCCO2 ZINC000077305879 188402920 /nfs/dbraw/zinc/40/29/20/188402920.db2.gz NNLZVJLZHUMGCM-NSHDSACASA-N 1 0 213.321 1.918 10 0 BDAERO O=C(C1CCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000226383126 353519822 /nfs/dbraw/zinc/51/98/22/353519822.db2.gz ZIBAJFIIHGBTCX-VIFPVBQESA-N 1 0 221.222 1.898 10 0 BDAERO N#Cc1cnccc1NC1CCC([NH3+])CC1 ZINC000399000724 353548429 /nfs/dbraw/zinc/54/84/29/353548429.db2.gz SBISJODJBASMMJ-UHFFFAOYSA-N 1 0 216.288 1.057 10 0 BDAERO Fc1ccc2c(c1)[C@H]1C[NH2+]CCN1CC2 ZINC000019788455 180989931 /nfs/dbraw/zinc/98/99/31/180989931.db2.gz QGTCUEUPELDMPN-GFCCVEGCSA-N 1 0 206.264 1.328 10 0 BDAERO Fc1cccc2c1CC[C@@H]2[NH2+]C1COC1 ZINC000167645738 181005806 /nfs/dbraw/zinc/00/58/06/181005806.db2.gz VBFUGJXDEPKJJT-LBPRGKRZSA-N 1 0 207.248 1.801 10 0 BDAERO CC[C@@H]1CS[C@]2(CO[C@@H](C)[C@@H]2C)[NH2+]1 ZINC000405559686 353867873 /nfs/dbraw/zinc/86/78/73/353867873.db2.gz XCHVWECVKHDRRA-QEYWKRMJSA-N 1 0 201.335 1.853 10 0 BDAERO C/C(=C/Cl)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000308109166 353887711 /nfs/dbraw/zinc/88/77/11/353887711.db2.gz KNNXUGIWTZISIY-YXCTTXFESA-N 1 0 202.729 1.811 10 0 BDAERO Cc1cccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000577946710 366124824 /nfs/dbraw/zinc/12/48/24/366124824.db2.gz FZONCHJMYRBGGE-OLZOCXBDSA-N 1 0 233.359 1.868 10 0 BDAERO CO[C@@H]1CN(Cc2ccns2)[C@@](C)(C[NH3+])C1 ZINC000630079756 363291180 /nfs/dbraw/zinc/29/11/80/363291180.db2.gz ZSUWUZDRTMNNBV-GXSJLCMTSA-N 1 0 241.360 1.081 10 0 BDAERO CC[NH+]1CCC(CO)(Nc2ccccc2)CC1 ZINC000038112693 358484277 /nfs/dbraw/zinc/48/42/77/358484277.db2.gz ZSWUZEYXPUNCCA-UHFFFAOYSA-N 1 0 234.343 1.945 10 0 BDAERO C[C@H](C[NH2+][C@H]1CCOC[C@H]1O)C(C)(C)C ZINC000628467589 358484543 /nfs/dbraw/zinc/48/45/43/358484543.db2.gz ZFEJZCPEKWGXFU-OUAUKWLOSA-N 1 0 215.337 1.408 10 0 BDAERO CC(C)OC1CC[NH+](CC2(O)CCC2)CC1 ZINC000578061946 366208240 /nfs/dbraw/zinc/20/82/40/366208240.db2.gz UGLBJPMZPFPMAT-UHFFFAOYSA-N 1 0 227.348 1.791 10 0 BDAERO CCN1CCC[N@@H+]([C@H]2CC[C@H](C)C2)CC1=O ZINC000335929192 134009788 /nfs/dbraw/zinc/00/97/88/134009788.db2.gz SDWXOTPQVNBEIB-RYUDHWBXSA-N 1 0 224.348 1.729 10 0 BDAERO C[C@H]([NH3+])C(=O)Nc1cccc(F)c1F ZINC000040230979 358489210 /nfs/dbraw/zinc/48/92/10/358489210.db2.gz LUIDFZDUYRQMQW-YFKPBYRVSA-N 1 0 200.188 1.251 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)o1 ZINC000235343133 363442081 /nfs/dbraw/zinc/44/20/81/363442081.db2.gz UBLYWUYHCZDGFO-APPZFPTMSA-N 1 0 208.261 1.007 10 0 BDAERO O[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]21)CC(F)(F)F ZINC000346443705 354940363 /nfs/dbraw/zinc/94/03/63/354940363.db2.gz KFDLVQUHCWNQEM-CIUDSAMLSA-N 1 0 223.238 1.784 10 0 BDAERO O[C@H](C[N@@H+]1C[C@H]2CCC[C@@H]21)CC(F)(F)F ZINC000346443707 354940949 /nfs/dbraw/zinc/94/09/49/354940949.db2.gz KFDLVQUHCWNQEM-VGMNWLOBSA-N 1 0 223.238 1.784 10 0 BDAERO C[C@@]1([NH3+])CCN(c2nc(Cl)cs2)C1 ZINC000405721774 354961466 /nfs/dbraw/zinc/96/14/66/354961466.db2.gz INBXZYNSZATDHY-MRVPVSSYSA-N 1 0 217.725 1.724 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccns1 ZINC000639227174 355059346 /nfs/dbraw/zinc/05/93/46/355059346.db2.gz IICXCFKBYSIDGL-SCZZXKLOSA-N 1 0 212.318 1.488 10 0 BDAERO C[C@]1(c2ccccc2Cl)COC(=[NH2+])N1 ZINC000083964817 355122272 /nfs/dbraw/zinc/12/22/72/355122272.db2.gz DHXYGMYUXSOEGU-SNVBAGLBSA-N 1 0 210.664 1.900 10 0 BDAERO CC(C)c1nccnc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000413167275 191360549 /nfs/dbraw/zinc/36/05/49/191360549.db2.gz VGPRUPDIQMHWQK-NEPJUHHUSA-N 1 0 248.374 1.917 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2nccnc2C(C)C)C1 ZINC000413078894 191354010 /nfs/dbraw/zinc/35/40/10/191354010.db2.gz WPIFJGZLALJIDA-LBPRGKRZSA-N 1 0 248.374 1.918 10 0 BDAERO C[C@@]1([NH3+])CCN(C/C(Cl)=C/Cl)C1 ZINC000405832508 355329601 /nfs/dbraw/zinc/32/96/01/355329601.db2.gz UBCFRQIOTPKAEU-RBMBQVQZSA-N 1 0 209.120 1.729 10 0 BDAERO NC(=[NH2+])c1c(F)cccc1-n1cccn1 ZINC000062564798 181192240 /nfs/dbraw/zinc/19/22/40/181192240.db2.gz GWWJDLJNAXLJKP-UHFFFAOYSA-N 1 0 204.208 1.295 10 0 BDAERO NC(=[NH2+])c1c(F)cccc1OC[C@H]1CCCO1 ZINC000036307586 181192890 /nfs/dbraw/zinc/19/28/90/181192890.db2.gz DQBVONLZEUEKRQ-MRVPVSSYSA-N 1 0 238.262 1.668 10 0 BDAERO NC(=[NH2+])[C@H](O)c1c(Cl)cccc1Cl ZINC000039135056 181193089 /nfs/dbraw/zinc/19/30/89/181193089.db2.gz QMBAGCQJEIOWQI-SSDOTTSWSA-N 1 0 219.071 1.963 10 0 BDAERO NC(=[NH2+])c1ccc(N(CCO)C2CCCC2)nc1 ZINC000042508044 181195197 /nfs/dbraw/zinc/19/51/97/181195197.db2.gz PNAMIFXFGMTTSR-UHFFFAOYSA-N 1 0 248.330 1.107 10 0 BDAERO NC(=[NH2+])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000019431444 181195290 /nfs/dbraw/zinc/19/52/90/181195290.db2.gz NAGISWNWBFMPCF-NSHDSACASA-N 1 0 220.272 1.528 10 0 BDAERO NC(=[NH2+])c1cccc(COCC2CC2)c1 ZINC000019871432 181196151 /nfs/dbraw/zinc/19/61/51/181196151.db2.gz UANJRFKQXOJZNU-UHFFFAOYSA-N 1 0 204.273 1.897 10 0 BDAERO NC(=[NH2+])c1cccc(COC[C@@H]2CCCO2)c1 ZINC000019425049 181196195 /nfs/dbraw/zinc/19/61/95/181196195.db2.gz XXDPWYVNUDHHCD-LBPRGKRZSA-N 1 0 234.299 1.666 10 0 BDAERO NC(=[NH2+])c1ncccc1CSc1cnccn1 ZINC000104365078 181197795 /nfs/dbraw/zinc/19/77/95/181197795.db2.gz HAYNZRODHKOWEM-UHFFFAOYSA-N 1 0 245.311 1.448 10 0 BDAERO CC[NH2+][C@H](C)c1cn(Cc2ccncc2)nn1 ZINC000383869271 355528608 /nfs/dbraw/zinc/52/86/08/355528608.db2.gz APVIIZQQGKCOJX-SNVBAGLBSA-N 1 0 231.303 1.392 10 0 BDAERO CC(C)(C)OCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398654410 355586391 /nfs/dbraw/zinc/58/63/91/355586391.db2.gz BXTNJDFYYZPJNQ-AVGNSLFASA-N 1 0 241.375 1.894 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000389069140 355606056 /nfs/dbraw/zinc/60/60/56/355606056.db2.gz LWCMFWQSUDNILN-AVGNSLFASA-N 1 0 226.364 1.485 10 0 BDAERO CC(C)(C)S(=O)(=O)C/C=C1\CC[NH2+]C1 ZINC000308460224 355645049 /nfs/dbraw/zinc/64/50/49/355645049.db2.gz BCVVRMGRGIVFKH-WEVVVXLNSA-N 1 0 217.334 1.119 10 0 BDAERO Cc1nc(C)c(CNC(=O)[C@]2(C)CCC[NH2+]2)o1 ZINC000393962412 355679650 /nfs/dbraw/zinc/67/96/50/355679650.db2.gz VQCCQHLHDNMUFB-LBPRGKRZSA-N 1 0 237.303 1.050 10 0 BDAERO [NH2+]=C1c2ccccc2CN1C[C@H]1COCCO1 ZINC000038062698 181208027 /nfs/dbraw/zinc/20/80/27/181208027.db2.gz KSQIFQRCDGTTBM-NSHDSACASA-N 1 0 232.283 1.243 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccnn2C)C1 ZINC000389174751 355756974 /nfs/dbraw/zinc/75/69/74/355756974.db2.gz OSDIJGGYBIHLHL-GHMZBOCLSA-N 1 0 222.336 1.165 10 0 BDAERO [NH3+]C[C@H]1CN(c2cc(F)cc(F)c2)C(=O)O1 ZINC000168398074 355770943 /nfs/dbraw/zinc/77/09/43/355770943.db2.gz YIQYODKIWKWHIM-VIFPVBQESA-N 1 0 228.198 1.249 10 0 BDAERO NC(=O)C1([NH2+]C2CCCC2)Cc2ccccc2C1 ZINC000037969116 181214440 /nfs/dbraw/zinc/21/44/40/181214440.db2.gz WRMPOFCFLPIYAB-UHFFFAOYSA-N 1 0 244.338 1.542 10 0 BDAERO NC(=O)C1([NH2+]C2CCCCC2)CCSCC1 ZINC000041048804 181214488 /nfs/dbraw/zinc/21/44/88/181214488.db2.gz HTQJXHUKTOLOKD-UHFFFAOYSA-N 1 0 242.388 1.660 10 0 BDAERO C=Cn1cc(C[NH2+][C@H]2CCN(CC)C2)cn1 ZINC000389245309 355934778 /nfs/dbraw/zinc/93/47/78/355934778.db2.gz ALXQSHPBGPBZMK-LBPRGKRZSA-N 1 0 220.320 1.167 10 0 BDAERO NC(=O)CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000032758718 181224375 /nfs/dbraw/zinc/22/43/75/181224375.db2.gz IVKHMTKMMZHYLN-GHMZBOCLSA-N 1 0 210.321 1.374 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2cc(C)ncn2)C1 ZINC000389268397 355943515 /nfs/dbraw/zinc/94/35/15/355943515.db2.gz JYULJRBGLSGJEN-SNVBAGLBSA-N 1 0 206.293 1.291 10 0 BDAERO NC(=O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000035149341 181225208 /nfs/dbraw/zinc/22/52/08/181225208.db2.gz KVZURLFQSFDRBI-UHFFFAOYSA-N 1 0 246.232 1.670 10 0 BDAERO NC(=O)CC[C@H]([NH3+])c1ccc(Cl)s1 ZINC000037483861 181227613 /nfs/dbraw/zinc/22/76/13/181227613.db2.gz DDDVXDAWWXHBOD-YFKPBYRVSA-N 1 0 218.709 1.667 10 0 BDAERO NC(=O)CC[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000037483855 181227865 /nfs/dbraw/zinc/22/78/65/181227865.db2.gz JGUXVRURLXQNNJ-QMMMGPOBSA-N 1 0 232.205 1.369 10 0 BDAERO NC(=O)CC[C@H]([NH3+])c1cc(F)ccc1F ZINC000037483753 181228126 /nfs/dbraw/zinc/22/81/26/181228126.db2.gz IFGIUFDCFRZTPW-VIFPVBQESA-N 1 0 214.215 1.230 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020578100 181242058 /nfs/dbraw/zinc/24/20/58/181242058.db2.gz JTUQGZMWWBXOFU-MRVPVSSYSA-N 1 0 233.098 1.869 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000020577915 181245341 /nfs/dbraw/zinc/24/53/41/181245341.db2.gz SHULCBKTACHQLU-QMMMGPOBSA-N 1 0 232.205 1.581 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1cccc2ccccc21 ZINC000020578031 181245409 /nfs/dbraw/zinc/24/54/09/181245409.db2.gz QTYOKKZUNQSOAD-LBPRGKRZSA-N 1 0 214.268 1.715 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc(Cl)s1 ZINC000036906851 181245454 /nfs/dbraw/zinc/24/54/54/181245454.db2.gz WDQWAIVRBUOAHL-BYPYZUCNSA-N 1 0 204.682 1.277 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCC2)C1 ZINC000150852869 356222428 /nfs/dbraw/zinc/22/24/28/356222428.db2.gz RDWYOSZREQOHPZ-NEPJUHHUSA-N 1 0 239.363 1.521 10 0 BDAERO C[C@]1(C[NH3+])CCN(c2ncnc3[nH]ccc32)C1 ZINC000420242907 192184272 /nfs/dbraw/zinc/18/42/72/192184272.db2.gz NMPSWYUGHCHSBT-GFCCVEGCSA-N 1 0 231.303 1.133 10 0 BDAERO CCC(C)(C)CCN(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000420349866 192217524 /nfs/dbraw/zinc/21/75/24/192217524.db2.gz QVGAGQCWYKQDOZ-QWRGUYRKSA-N 1 0 214.353 1.077 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCc2occc21 ZINC000040831850 358503154 /nfs/dbraw/zinc/50/31/54/358503154.db2.gz GEUPTWHNKGRGDX-WDEREUQCSA-N 1 0 236.315 1.901 10 0 BDAERO NC(=O)[C@@]1([NH2+]CC2CC2)CCCc2ccccc21 ZINC000038000930 181275080 /nfs/dbraw/zinc/27/50/80/181275080.db2.gz AASYZBGNHMPTPF-OAHLLOKOSA-N 1 0 244.338 1.703 10 0 BDAERO CCC1(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000158802620 535306235 /nfs/dbraw/zinc/30/62/35/535306235.db2.gz PJPRCIJJQHGTSH-GHMZBOCLSA-N 1 0 224.348 1.810 10 0 BDAERO NC(=O)[C@H]([NH3+])c1csc2ccccc21 ZINC000054464819 181277310 /nfs/dbraw/zinc/27/73/10/181277310.db2.gz QHBGHJSABZSAOI-SECBINFHSA-N 1 0 206.270 1.386 10 0 BDAERO C[NH+](C)CCn1ccc(Br)cc1=O ZINC000144801572 356480066 /nfs/dbraw/zinc/48/00/66/356480066.db2.gz AYNUDBSQRXLTKU-UHFFFAOYSA-N 1 0 245.120 1.172 10 0 BDAERO C[C@H](C[NH+](C)C)NC(=O)OCc1ccccc1 ZINC000142075740 356468199 /nfs/dbraw/zinc/46/81/99/356468199.db2.gz MQLSTZVJOALXMT-LLVKDONJSA-N 1 0 236.315 1.863 10 0 BDAERO NC(=O)[C@H]1CCCN(CC(=O)c2ccccc2)C1 ZINC000035036821 181280464 /nfs/dbraw/zinc/28/04/64/181280464.db2.gz GSIZURUIVQWPDL-LBPRGKRZSA-N 1 0 246.310 1.067 10 0 BDAERO CCc1nnc(CN2CC[C@@H](C)[C@H](C)C2)n1C ZINC000179690989 366285514 /nfs/dbraw/zinc/28/55/14/366285514.db2.gz HVVBGWSXYGSZNJ-GHMZBOCLSA-N 1 0 236.363 1.855 10 0 BDAERO Cc1cocc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630089674 363488707 /nfs/dbraw/zinc/48/87/07/363488707.db2.gz GGJXKOBHZNAOGN-WCBMZHEXSA-N 1 0 222.288 1.255 10 0 BDAERO CC(C)OCCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261632432 535319137 /nfs/dbraw/zinc/31/91/37/535319137.db2.gz ADPOSLQXEUDHLC-VXGBXAGGSA-N 1 0 242.363 1.387 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccns3)C[C@H]2C1 ZINC000639677446 356593719 /nfs/dbraw/zinc/59/37/19/356593719.db2.gz PJGZOSBYXCJJAC-GMTAPVOTSA-N 1 0 238.356 1.736 10 0 BDAERO CC(C)(C)OC(=O)c1cc(C2C[NH2+]C2)[nH]n1 ZINC000675057065 538479195 /nfs/dbraw/zinc/47/91/95/538479195.db2.gz UXDQMEFGWCIPPH-UHFFFAOYSA-N 1 0 223.276 1.052 10 0 BDAERO CCCC(=O)N1CCO[C@](C[NH3+])(CCC)C1 ZINC000675058964 538481860 /nfs/dbraw/zinc/48/18/60/538481860.db2.gz DVGBXDDMVRUMDJ-LBPRGKRZSA-N 1 0 228.336 1.143 10 0 BDAERO COc1ccc(C2([NH3+])CC(O)C2)cc1OC ZINC000675058694 538481932 /nfs/dbraw/zinc/48/19/32/538481932.db2.gz SOXOMHVMJDMYSX-UHFFFAOYSA-N 1 0 223.272 1.013 10 0 BDAERO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CC[C@H](CO)O2)C1 ZINC000675059094 538483403 /nfs/dbraw/zinc/48/34/03/538483403.db2.gz KEFAAQKCGKYXCL-QNWHQSFQSA-N 1 0 227.348 1.504 10 0 BDAERO CCCC(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051562 538474895 /nfs/dbraw/zinc/47/48/95/538474895.db2.gz NSWAMYHPCQCPFJ-PWSUYJOCSA-N 1 0 210.321 1.435 10 0 BDAERO CC(C)(C)C(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051725 538475141 /nfs/dbraw/zinc/47/51/41/538475141.db2.gz RKJDVABZHNVXHV-MFKMUULPSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@H](CO)CCC[NH2+]C[C@H](O)C(C)(C)C ZINC000389410544 356642613 /nfs/dbraw/zinc/64/26/13/356642613.db2.gz OSOFSYORUSLJKH-QWRGUYRKSA-N 1 0 217.353 1.392 10 0 BDAERO CC1(C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000675056448 538478318 /nfs/dbraw/zinc/47/83/18/538478318.db2.gz QJFOSTUNRAZWJQ-ZWNOBZJWSA-N 1 0 222.332 1.435 10 0 BDAERO CCC(C)(C)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000675057126 538478826 /nfs/dbraw/zinc/47/88/26/538478826.db2.gz WIIOCTRDPIBPAG-WDEREUQCSA-N 1 0 239.363 1.568 10 0 BDAERO CC1(C(=O)N2CC[C@@]3(C[NH3+])CCC[C@@H]23)CC1 ZINC000675056789 538478925 /nfs/dbraw/zinc/47/89/25/538478925.db2.gz WYHFYNADKVGTCI-ZWNOBZJWSA-N 1 0 222.332 1.516 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675068464 538496846 /nfs/dbraw/zinc/49/68/46/538496846.db2.gz ABZVTSLWQYRORE-DMDPSCGWSA-N 1 0 239.363 1.472 10 0 BDAERO CCC[C@]1(C[NH3+])CN(C(=O)C2CCC2)CCO1 ZINC000675059624 538485477 /nfs/dbraw/zinc/48/54/77/538485477.db2.gz SMAIZQGIKYKUTG-ZDUSSCGKSA-N 1 0 240.347 1.143 10 0 BDAERO CCCC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675070065 538499770 /nfs/dbraw/zinc/49/97/70/538499770.db2.gz KWNYJHBRMSTJAH-LMLFDSFASA-N 1 0 210.321 1.276 10 0 BDAERO [NH3+][C@@H]1C[C@@H]2C[C@@H](CNC(=O)CC3CC3)C[C@@H]12 ZINC000675070759 538500884 /nfs/dbraw/zinc/50/08/84/538500884.db2.gz SLZBGIYNYUMMJZ-WRWGMCAJSA-N 1 0 222.332 1.276 10 0 BDAERO [NH3+][C@@H]1C[C@@H]2C[C@H](CNC(=O)C3CCC3)C[C@@H]12 ZINC000675070650 538500960 /nfs/dbraw/zinc/50/09/60/538500960.db2.gz RDCCTVHEDDFLQO-OHBODLIOSA-N 1 0 222.332 1.276 10 0 BDAERO CCS(=O)(=O)NCCCC1([NH3+])CCCCC1 ZINC000675072671 538504468 /nfs/dbraw/zinc/50/44/68/538504468.db2.gz CHADONGPAKCFSR-UHFFFAOYSA-N 1 0 248.392 1.368 10 0 BDAERO CC(C)CC[NH2+]C[C@@H]1CCCCNC1=O ZINC000675074812 538508037 /nfs/dbraw/zinc/50/80/37/538508037.db2.gz AYLHJOBALIUHHV-NSHDSACASA-N 1 0 212.337 1.538 10 0 BDAERO CC[C@H](C)C[NH2+]C[C@H]1CCCCNC1=O ZINC000675075656 538509916 /nfs/dbraw/zinc/50/99/16/538509916.db2.gz SYICYSONUNSCNK-WDEREUQCSA-N 1 0 212.337 1.538 10 0 BDAERO Cc1cc(C)nc(-c2cnn3c2C[NH2+]CC3)n1 ZINC000675076254 538510510 /nfs/dbraw/zinc/51/05/10/538510510.db2.gz MNSVFKUXKMPOLF-UHFFFAOYSA-N 1 0 229.287 1.060 10 0 BDAERO CC(C)NC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675069451 538498374 /nfs/dbraw/zinc/49/83/74/538498374.db2.gz HNMGIANVSWINLO-XWLWVQCSSA-N 1 0 225.336 1.067 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675069313 538498477 /nfs/dbraw/zinc/49/84/77/538498477.db2.gz GVXQBUURFYVNLB-DOLQZWNJSA-N 1 0 211.305 1.702 10 0 BDAERO N[C@@H]1C=C(c2ccc(C3CC3)s2)C[NH2+]C1 ZINC000675077739 538513274 /nfs/dbraw/zinc/51/32/74/538513274.db2.gz HVEGWGWNCTVQIJ-SNVBAGLBSA-N 1 0 220.341 1.939 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(Br)cc1F ZINC000083557723 538513640 /nfs/dbraw/zinc/51/36/40/538513640.db2.gz WGHNAERNXDZBFN-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO N[C@H]1C=C(Cc2ccsc2Cl)C[NH2+]C1 ZINC000675077419 538514354 /nfs/dbraw/zinc/51/43/54/538514354.db2.gz DYFXETWSNPTFIF-VIFPVBQESA-N 1 0 228.748 1.801 10 0 BDAERO O[C@@H]1C=C(c2ccccc2Cl)C[NH2+]C1 ZINC000675078176 538515433 /nfs/dbraw/zinc/51/54/33/538515433.db2.gz WPURWTWLGYPZTL-SECBINFHSA-N 1 0 209.676 1.688 10 0 BDAERO O[C@@H]1C=C(Cc2ccccc2Cl)C[NH2+]C1 ZINC000675078109 538515571 /nfs/dbraw/zinc/51/55/71/538515571.db2.gz WBBRFTAUCPKXIH-LLVKDONJSA-N 1 0 223.703 1.773 10 0 BDAERO N[C@@H]1C=C(C[C@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675078840 538515815 /nfs/dbraw/zinc/51/58/15/538515815.db2.gz URNNAOKQCKSRIQ-NXEZZACHSA-N 1 0 216.275 1.669 10 0 BDAERO O[C@H]1C=C(CCC2CCOCC2)C[NH2+]C1 ZINC000675078521 538516563 /nfs/dbraw/zinc/51/65/63/538516563.db2.gz YVMLBCWZTZRIOS-LBPRGKRZSA-N 1 0 211.305 1.084 10 0 BDAERO CC(C)(C)OC(=O)N1CC(C2CC2)=C[C@@H]([NH3+])C1 ZINC000675079032 538517745 /nfs/dbraw/zinc/51/77/45/538517745.db2.gz VDLNDMMWCQTRHC-LLVKDONJSA-N 1 0 238.331 1.901 10 0 BDAERO CC(C)CC(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000675078948 538517913 /nfs/dbraw/zinc/51/79/13/538517913.db2.gz CKZFMXSJXGVBOV-JSGCOSHPSA-N 1 0 232.327 1.773 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)c2nccnc2C)C1 ZINC000389501827 356695613 /nfs/dbraw/zinc/69/56/13/356695613.db2.gz CHGFBMLZNIYUHV-RYUDHWBXSA-N 1 0 234.347 1.530 10 0 BDAERO CC[N@@H+]1CC[C@H](Nc2ncc(F)cn2)C1 ZINC000389467233 356682312 /nfs/dbraw/zinc/68/23/12/356682312.db2.gz UCVSHXILEYQIJO-VIFPVBQESA-N 1 0 210.256 1.122 10 0 BDAERO CCc1ccccc1C1=C[C@@H](N)C[NH2+]C1 ZINC000675077751 538513095 /nfs/dbraw/zinc/51/30/95/538513095.db2.gz HYDSIJMDKTXIMG-GFCCVEGCSA-N 1 0 202.301 1.563 10 0 BDAERO COc1ccc(N2C[C@@H]([NH3+])CCC2=O)cc1 ZINC000084012587 538526097 /nfs/dbraw/zinc/52/60/97/538526097.db2.gz QQKZXNFMYZAVMP-VIFPVBQESA-N 1 0 220.272 1.149 10 0 BDAERO C[C@H]1CC[NH2+][C@H](CC(=O)C(F)(F)F)C1 ZINC000130343132 538588025 /nfs/dbraw/zinc/58/80/25/538588025.db2.gz MWLUNMZEMJUPMS-BQBZGAKWSA-N 1 0 209.211 1.896 10 0 BDAERO CN(c1ccnc2cccnc21)C1CC([NH3+])C1 ZINC000385033404 356871257 /nfs/dbraw/zinc/87/12/57/356871257.db2.gz QCMHVLKDNIBZFK-UHFFFAOYSA-N 1 0 228.299 1.556 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000225544059 491104392 /nfs/dbraw/zinc/10/43/92/491104392.db2.gz VMZPVWQYBIJRKQ-RSJDFQLWSA-N 1 0 224.348 1.809 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000389531890 356970727 /nfs/dbraw/zinc/97/07/27/356970727.db2.gz IPCTYCPTZOLLDK-LBPRGKRZSA-N 1 0 207.321 1.209 10 0 BDAERO NC(=O)c1cc(F)ccc1OC[C@H]1CCC[NH2+]1 ZINC000104230380 181289592 /nfs/dbraw/zinc/28/95/92/181289592.db2.gz KAXHEQUOFJBVFZ-SECBINFHSA-N 1 0 238.262 1.055 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000152307192 357023688 /nfs/dbraw/zinc/02/36/88/357023688.db2.gz OOTLDCMHXHKGLT-VHSXEESVSA-N 1 0 226.345 1.784 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncc(Cl)cn1 ZINC000389740563 357023705 /nfs/dbraw/zinc/02/37/05/357023705.db2.gz YVXWFDIKZAAHJR-VXNVDRBHSA-N 1 0 226.711 1.540 10 0 BDAERO Cc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)ncn1 ZINC000389716787 357018763 /nfs/dbraw/zinc/01/87/63/357018763.db2.gz AMDWENGWMDALJE-PSASIEDQSA-N 1 0 206.293 1.195 10 0 BDAERO Cc1cnc(N[C@H]2C[NH2+]CC[C@H]2C)nc1 ZINC000389722848 357020161 /nfs/dbraw/zinc/02/01/61/357020161.db2.gz IGRXPBMLAHCWRD-ZJUUUORDSA-N 1 0 206.293 1.195 10 0 BDAERO N#Cc1cc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccn1 ZINC000385278970 357070083 /nfs/dbraw/zinc/07/00/83/357070083.db2.gz JTPLLOSHKDZGNN-FZMZJTMJSA-N 1 0 242.326 1.518 10 0 BDAERO Cn1cc(C(C)(C)[NH2+]CC(C)(C)O)cn1 ZINC000389975387 357076578 /nfs/dbraw/zinc/07/65/78/357076578.db2.gz FFKVQSHGOBIYOU-UHFFFAOYSA-N 1 0 211.309 1.016 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1 ZINC000137679195 357232655 /nfs/dbraw/zinc/23/26/55/357232655.db2.gz BGMCQJVBSSMYHQ-QWHCGFSZSA-N 1 0 247.342 1.756 10 0 BDAERO CCc1nc(CC[NH2+][C@@H]2CCC2(C)C)no1 ZINC000381451343 357183504 /nfs/dbraw/zinc/18/35/04/357183504.db2.gz HLCOYJYTXWWJFT-SECBINFHSA-N 1 0 223.320 1.953 10 0 BDAERO CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CO)CS1 ZINC000393448961 357309379 /nfs/dbraw/zinc/30/93/79/357309379.db2.gz VMONDKDVTLNTKU-LNFKQOIKSA-N 1 0 215.362 1.487 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000393776144 357298700 /nfs/dbraw/zinc/29/87/00/357298700.db2.gz MULDBQIAPRFISJ-GFCCVEGCSA-N 1 0 227.348 1.696 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CSC1(C)C ZINC000393850826 357303328 /nfs/dbraw/zinc/30/33/28/357303328.db2.gz WXROGQSUJVSVRH-WDEREUQCSA-N 1 0 247.404 1.648 10 0 BDAERO Cn1nnc(Br)c1C1CC[NH2+]CC1 ZINC000217495077 357261114 /nfs/dbraw/zinc/26/11/14/357261114.db2.gz MLBYHWOFAUJZBT-UHFFFAOYSA-N 1 0 245.124 1.045 10 0 BDAERO Cc1cnccc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392898313 357262371 /nfs/dbraw/zinc/26/23/71/357262371.db2.gz RBELEMUOBQAKOT-JQWIXIFHSA-N 1 0 233.315 1.147 10 0 BDAERO Cc1cnccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392898311 357262621 /nfs/dbraw/zinc/26/26/21/357262621.db2.gz RBELEMUOBQAKOT-CMPLNLGQSA-N 1 0 233.315 1.147 10 0 BDAERO CC/C=C\C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000395100029 357412006 /nfs/dbraw/zinc/41/20/06/357412006.db2.gz CJAUFSRRARWTRL-VSQXVHSFSA-N 1 0 239.315 1.713 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCC1(CO)CC1 ZINC000395793576 357455882 /nfs/dbraw/zinc/45/58/82/357455882.db2.gz LFALBRZLTPOAEN-SNVBAGLBSA-N 1 0 215.337 1.146 10 0 BDAERO CCOc1nccnc1N[C@@H](C)CCCC[NH3+] ZINC000583015009 357460820 /nfs/dbraw/zinc/46/08/20/357460820.db2.gz COVPYYIFFKKWNR-JTQLQIEISA-N 1 0 238.335 1.227 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@H]2CCCC[NH2+]2)o1 ZINC000231742966 357623535 /nfs/dbraw/zinc/62/35/35/357623535.db2.gz CVKPOHZXODLJRP-VHSXEESVSA-N 1 0 237.303 1.302 10 0 BDAERO Cn1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC000230948583 357585041 /nfs/dbraw/zinc/58/50/41/357585041.db2.gz FANDPXTWVXWZFH-LBPRGKRZSA-N 1 0 235.331 1.174 10 0 BDAERO O=C(NC[C@@H]1CC=CCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188868773 357593580 /nfs/dbraw/zinc/59/35/80/357593580.db2.gz SCJYQGSMPREYTI-OUAUKWLOSA-N 1 0 226.295 1.159 10 0 BDAERO Cc1cnccc1CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000397645886 357618747 /nfs/dbraw/zinc/61/87/47/357618747.db2.gz UUWATEXIPGPHOT-ZDUSSCGKSA-N 1 0 234.343 1.637 10 0 BDAERO C/C=C/C(=O)N1CC[C@@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000685939269 538886242 /nfs/dbraw/zinc/88/62/42/538886242.db2.gz PAWPFJIVQQTICV-XMXMHJJKSA-N 1 0 224.348 1.784 10 0 BDAERO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)CC1CC1 ZINC000685946700 538886799 /nfs/dbraw/zinc/88/67/99/538886799.db2.gz MJOVEHJEJRZFDI-ZYHUDNBSSA-N 1 0 208.305 1.126 10 0 BDAERO Cc1cc(C)cc([C@H]2C[NH2+]C[C@]2(C)N)c1 ZINC000685945870 538886870 /nfs/dbraw/zinc/88/68/70/538886870.db2.gz CYNDZIVRLDWZLB-OLZOCXBDSA-N 1 0 204.317 1.708 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000685945802 538886948 /nfs/dbraw/zinc/88/69/48/538886948.db2.gz BFDIPAVCMBFFLE-STQMWFEESA-N 1 0 220.316 1.490 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1C ZINC000685945820 538887330 /nfs/dbraw/zinc/88/73/30/538887330.db2.gz BQERXUYRJXPKFE-DGCLKSJQSA-N 1 0 220.316 1.408 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000685945912 538887705 /nfs/dbraw/zinc/88/77/05/538887705.db2.gz FWNLSDUMLMDMLS-LPEHRKFASA-N 1 0 231.315 1.112 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685945909 538887709 /nfs/dbraw/zinc/88/77/09/538887709.db2.gz FWNLSDUMLMDMLS-AEJSXWLSSA-N 1 0 231.315 1.112 10 0 BDAERO CC(C)(C)OC(=O)[C@@H](C[NH3+])C(F)(F)F ZINC000685946793 538888061 /nfs/dbraw/zinc/88/80/61/538888061.db2.gz NKSCGLVUFYYXOV-RXMQYKEDSA-N 1 0 213.199 1.465 10 0 BDAERO O=C(N[C@H]1CCCC12CC[NH2+]CC2)C1CC1 ZINC000685947042 538888675 /nfs/dbraw/zinc/88/86/75/538888675.db2.gz QNFSKTNSRXSLAZ-NSHDSACASA-N 1 0 222.332 1.435 10 0 BDAERO CC(C)CC(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947208 538888728 /nfs/dbraw/zinc/88/87/28/538888728.db2.gz HAMZFSDRHBOXQD-UHFFFAOYSA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)CNC(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000685947201 538888746 /nfs/dbraw/zinc/88/87/46/538888746.db2.gz GONHHQJDYZEQJJ-LLVKDONJSA-N 1 0 213.325 1.084 10 0 BDAERO CC(C)CC(=O)NC[C@]12CC[C@@H]1CC[NH2+]2 ZINC000685947259 538888851 /nfs/dbraw/zinc/88/88/51/538888851.db2.gz SSCWWFAGHGATKR-ZYHUDNBSSA-N 1 0 210.321 1.291 10 0 BDAERO CCOc1ccccc1[C@H](N)CC[NH2+]C ZINC000685947836 538889455 /nfs/dbraw/zinc/88/94/55/538889455.db2.gz RPICCYUAMMGGFQ-LLVKDONJSA-N 1 0 208.305 1.695 10 0 BDAERO CCC(C)(C)NC(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000685947752 538889537 /nfs/dbraw/zinc/88/95/37/538889537.db2.gz PAQUQDSRLPNRRB-LBPRGKRZSA-N 1 0 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ZINC000041047648 361188798 /nfs/dbraw/zinc/18/87/98/361188798.db2.gz KZAXFKLXIKTLJS-SCSAIBSYSA-N 1 0 207.155 1.498 10 0 BDAERO Cc1ccc([S@@](=O)C2C[NH2+]C2)c(C)c1 ZINC000306618215 361193496 /nfs/dbraw/zinc/19/34/96/361193496.db2.gz SAWABXBOYKZTEP-AWEZNQCLSA-N 1 0 209.314 1.383 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(CCC3)C2)C1 ZINC000158885181 361214019 /nfs/dbraw/zinc/21/40/19/361214019.db2.gz PDKIBILZGBGHMK-WDEREUQCSA-N 1 0 222.332 1.516 10 0 BDAERO CC1(C[NH2+][C@@H]2CCc3ncnn3C2)CCC1 ZINC000309753436 491155575 /nfs/dbraw/zinc/15/55/75/491155575.db2.gz HFKXHWUELUVHNX-SNVBAGLBSA-N 1 0 220.320 1.373 10 0 BDAERO Cc1nnsc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000394709776 361306641 /nfs/dbraw/zinc/30/66/41/361306641.db2.gz RLBXRCOQBBFDDA-IUCAKERBSA-N 1 0 227.333 1.240 10 0 BDAERO Cn1cnc(C[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000309762136 491156057 /nfs/dbraw/zinc/15/60/57/491156057.db2.gz MUNUSQZDARCGGC-ZYHUDNBSSA-N 1 0 223.320 1.061 10 0 BDAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000309813470 491157095 /nfs/dbraw/zinc/15/70/95/491157095.db2.gz UTSHNKRRTPXIKR-MNOVXSKESA-N 1 0 219.332 1.976 10 0 BDAERO [NH3+]C1(C(=O)OCC2CCOCC2)CCCC1 ZINC000052145957 181330055 /nfs/dbraw/zinc/33/00/55/181330055.db2.gz JHXYVNLWHRMWMM-UHFFFAOYSA-N 1 0 227.304 1.228 10 0 BDAERO O=C(CC1CC[NH2+]CC1)c1ccsn1 ZINC000306632522 361364743 /nfs/dbraw/zinc/36/47/43/361364743.db2.gz CCDMEEDVUBXZHC-UHFFFAOYSA-N 1 0 210.302 1.716 10 0 BDAERO CCOC1CC([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000162842339 361367947 /nfs/dbraw/zinc/36/79/47/361367947.db2.gz OVVVROGSLXYFSL-XKGSQUFQSA-N 1 0 213.321 1.711 10 0 BDAERO NC1([NH3+])C=CC(C(=O)Nc2ccccc2)=CC1 ZINC000083411033 181331778 /nfs/dbraw/zinc/33/17/78/181331778.db2.gz INSQMADOBZFAJV-UHFFFAOYSA-N 1 0 229.283 1.125 10 0 BDAERO [NH3+]C1(COc2ccc(Br)nc2)CC1 ZINC000098177525 181332327 /nfs/dbraw/zinc/33/23/27/181332327.db2.gz AVHVSUSDHDTTPI-UHFFFAOYSA-N 1 0 243.104 1.714 10 0 BDAERO CC(C)[C@@H](C)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757411 361395825 /nfs/dbraw/zinc/39/58/25/361395825.db2.gz CVQUWXQHHMILBH-NEPJUHHUSA-N 1 0 226.364 1.927 10 0 BDAERO CC[C@H](C)[N@H+](C)CCNCc1cnn(C)c1C ZINC000161782604 201113090 /nfs/dbraw/zinc/11/30/90/201113090.db2.gz GJMJFCKHGOXAJS-NSHDSACASA-N 1 0 238.379 1.548 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000181124600 366787632 /nfs/dbraw/zinc/78/76/32/366787632.db2.gz MSCUWZWIAXAGNM-VXGBXAGGSA-N 1 0 214.353 1.437 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000432729965 201163319 /nfs/dbraw/zinc/16/33/19/201163319.db2.gz JADLHLGLFHCUOF-YNEHKIRRSA-N 1 0 227.348 1.648 10 0 BDAERO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2O)C1 ZINC000151986447 201188368 /nfs/dbraw/zinc/18/83/68/201188368.db2.gz MLBLPAFLOBRKAB-TUAOUCFPSA-N 1 0 241.331 1.175 10 0 BDAERO NC1=C(Cl)[C@@H]2C[NH2+]CC[C@H]2C(Cl)=C1 ZINC000100004573 181337942 /nfs/dbraw/zinc/33/79/42/181337942.db2.gz JCTADJFYXZGJBO-PHDIDXHHSA-N 1 0 219.115 1.758 10 0 BDAERO [NH3+][C@@H]1CCCN(CCc2ccsc2)C1 ZINC000070559392 361536254 /nfs/dbraw/zinc/53/62/54/361536254.db2.gz RLIQUONXHKHIKD-LLVKDONJSA-N 1 0 210.346 1.714 10 0 BDAERO O[C@]1(c2ccsn2)CC[N@@H+]2CCC[C@@H]21 ZINC000306637715 361570216 /nfs/dbraw/zinc/57/02/16/361570216.db2.gz FVWMYOWAAQPCCA-ZJUUUORDSA-N 1 0 210.302 1.199 10 0 BDAERO Cc1c(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cnn1C ZINC000629662647 361595626 /nfs/dbraw/zinc/59/56/26/361595626.db2.gz DUWVERJDMHDHJY-OKILXGFUSA-N 1 0 248.374 1.160 10 0 BDAERO [NH3+]C1CC(NC(=O)NC2CCCCC2)C1 ZINC000036263529 181340269 /nfs/dbraw/zinc/34/02/69/181340269.db2.gz NIHXPTIBLFTDQX-UHFFFAOYSA-N 1 0 211.309 1.108 10 0 BDAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(-c3ccco3)no2)C1 ZINC000629687617 361612208 /nfs/dbraw/zinc/61/22/08/361612208.db2.gz YENOYHQTHRWAOG-PRHODGIISA-N 1 0 249.270 1.553 10 0 BDAERO C[C@H]([NH3+])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000036881010 361576602 /nfs/dbraw/zinc/57/66/02/361576602.db2.gz KXHWBXMYCADRCH-QMMMGPOBSA-N 1 0 218.256 1.360 10 0 BDAERO C[C@@]1(CNCc2ccccc2)CCC[NH2+]1 ZINC000070619690 361643043 /nfs/dbraw/zinc/64/30/43/361643043.db2.gz OCMYBRZNJJHWKF-ZDUSSCGKSA-N 1 0 204.317 1.918 10 0 BDAERO [NH3+]C1CCC(CC(=O)N2CCCOCC2)CC1 ZINC000061940129 181341101 /nfs/dbraw/zinc/34/11/01/181341101.db2.gz ODGMYGDYPAJFQD-UHFFFAOYSA-N 1 0 240.347 1.143 10 0 BDAERO Cc1coc(-c2cnn(CCC[NH3+])c2)c1 ZINC000629735674 361671759 /nfs/dbraw/zinc/67/17/59/361671759.db2.gz CRODRMBPAVFZKG-UHFFFAOYSA-N 1 0 205.261 1.800 10 0 BDAERO [NH3+]C1CCN(CC(=O)c2cccc(F)c2)CC1 ZINC000050158333 181343676 /nfs/dbraw/zinc/34/36/76/181343676.db2.gz GXVJAGOAGLDOCH-UHFFFAOYSA-N 1 0 236.290 1.432 10 0 BDAERO [NH3+]C1CCN([C@H]2CCCCCC2=O)CC1 ZINC000062749604 181344443 /nfs/dbraw/zinc/34/44/43/181344443.db2.gz VQRRPYSUKJPBKA-NSHDSACASA-N 1 0 210.321 1.311 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)o1 ZINC000037164869 361711779 /nfs/dbraw/zinc/71/17/79/361711779.db2.gz QBGBRZLVNYISCA-QWRGUYRKSA-N 1 0 209.289 1.981 10 0 BDAERO CN(c1nc(C[NH3+])cs1)[C@H]1CCSC1 ZINC000070681686 361714791 /nfs/dbraw/zinc/71/47/91/361714791.db2.gz IIANOKASJBCCHH-QMMMGPOBSA-N 1 0 229.374 1.544 10 0 BDAERO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000252542582 363881728 /nfs/dbraw/zinc/88/17/28/363881728.db2.gz GAYZMAMUNHSIBS-MCIONIFRSA-N 1 0 240.391 1.875 10 0 BDAERO Nc1ccn(CCC[NH+]2CCCCC2)n1 ZINC000070917720 541310313 /nfs/dbraw/zinc/31/03/13/541310313.db2.gz DKRGQANTNALWAY-UHFFFAOYSA-N 1 0 208.309 1.341 10 0 BDAERO [NH3+]CC(=O)NCc1ccc(F)cc1Cl ZINC000083348768 181353331 /nfs/dbraw/zinc/35/33/31/181353331.db2.gz FMFWMNMGBBLZAO-UHFFFAOYSA-N 1 0 216.643 1.054 10 0 BDAERO CO[C@H]1C[N@H+](CCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356696 364077576 /nfs/dbraw/zinc/07/75/76/364077576.db2.gz TVWSCADFCNKHTD-VXGBXAGGSA-N 1 0 214.353 1.471 10 0 BDAERO [NH3+]CC(=O)NCc1cccc2ccccc21 ZINC000052062485 181354663 /nfs/dbraw/zinc/35/46/63/181354663.db2.gz OGUHTUAGFAJFHX-UHFFFAOYSA-N 1 0 214.268 1.415 10 0 BDAERO O=C(C1CC1)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263429 541336656 /nfs/dbraw/zinc/33/66/56/541336656.db2.gz GFWCFIMGTPPFIR-IPYPFGDCSA-N 1 0 248.370 1.777 10 0 BDAERO [NH3+]CC(=O)Nc1ccc2ncccc2c1 ZINC000054108611 181355885 /nfs/dbraw/zinc/35/58/85/181355885.db2.gz ZEEQYCHJEVMHQU-UHFFFAOYSA-N 1 0 201.229 1.132 10 0 BDAERO C[C@H](c1cnn(CC2CCC2)c1)N1CC[NH2+]CC1 ZINC000725264553 541337489 /nfs/dbraw/zinc/33/74/89/541337489.db2.gz WIRVGMUBFZXKGI-GFCCVEGCSA-N 1 0 248.374 1.649 10 0 BDAERO CCn1cc(C(F)F)c(C2([NH3+])CC2)n1 ZINC000725269749 541339256 /nfs/dbraw/zinc/33/92/56/541339256.db2.gz CQOYBNVZZOSMAD-UHFFFAOYSA-N 1 0 201.220 1.788 10 0 BDAERO C[C@H]1C[NH2+]CC[C@H]1CNC(=O)CC1CC1 ZINC000725271564 541339809 /nfs/dbraw/zinc/33/98/09/541339809.db2.gz PRSDECJOJOIRPW-ONGXEEELSA-N 1 0 210.321 1.148 10 0 BDAERO CC(C)C(=O)Nc1ccc2[nH]c(C[NH3+])nc2c1 ZINC000725271547 541339912 /nfs/dbraw/zinc/33/99/12/541339912.db2.gz PCQRLMBRHMJPPI-UHFFFAOYSA-N 1 0 232.287 1.616 10 0 BDAERO CCCOc1nccnc1N[C@H](C)C[C@H](C)[NH3+] ZINC000630516376 364200765 /nfs/dbraw/zinc/20/07/65/364200765.db2.gz MMWOMNPYGILIKI-VHSXEESVSA-N 1 0 238.335 1.225 10 0 BDAERO CCCOc1nccnc1N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000630515135 364200947 /nfs/dbraw/zinc/20/09/47/364200947.db2.gz PJNQUCHCWOFHHW-UWVGGRQHSA-N 1 0 236.319 1.049 10 0 BDAERO Cc1cccc(NC(=O)C2CCC([NH3+])CC2)n1 ZINC000257719301 370744175 /nfs/dbraw/zinc/74/41/75/370744175.db2.gz UMOFYLPOBQEZKF-UHFFFAOYSA-N 1 0 233.315 1.846 10 0 BDAERO Cc1nnc(N[C@H]2CC[C@H](C)[NH2+]C2)nc1C ZINC000630533036 364223053 /nfs/dbraw/zinc/22/30/53/364223053.db2.gz MVEYGZGIUKKZNV-XVKPBYJWSA-N 1 0 221.308 1.041 10 0 BDAERO [NH3+]CC1(C(=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000096896435 181359052 /nfs/dbraw/zinc/35/90/52/181359052.db2.gz AIYNKZFCCGADHX-UHFFFAOYSA-N 1 0 248.326 1.312 10 0 BDAERO COc1ccnc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630535721 364231407 /nfs/dbraw/zinc/23/14/07/364231407.db2.gz ZHOGIIRZSOABIO-BDAKNGLRSA-N 1 0 222.292 1.038 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(Cl)cn1 ZINC000630543916 364238545 /nfs/dbraw/zinc/23/85/45/364238545.db2.gz FXKQLCPXMSDUBH-IONNQARKSA-N 1 0 211.696 1.897 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1nccc2occc21 ZINC000630545776 364241083 /nfs/dbraw/zinc/24/10/83/364241083.db2.gz PNRAKBOVYHCPRN-WCBMZHEXSA-N 1 0 217.272 1.990 10 0 BDAERO C[C@@H]1CN(c2ccc3nccnc3n2)C[C@@H]1C[NH3+] ZINC000630576698 364275160 /nfs/dbraw/zinc/27/51/60/364275160.db2.gz YZYUIBJZPSBZGK-ZJUUUORDSA-N 1 0 243.314 1.056 10 0 BDAERO C[C@@H]1CN(c2nccc3occc32)C[C@H]1C[NH3+] ZINC000630554502 364250370 /nfs/dbraw/zinc/25/03/70/364250370.db2.gz PPYCNJBOTVKDBD-NXEZZACHSA-N 1 0 231.299 1.859 10 0 BDAERO C[C@@H]1CN(c2nc3ccccc3n2C)C[C@H]1C[NH3+] ZINC000630555009 364253046 /nfs/dbraw/zinc/25/30/46/364253046.db2.gz XZSFWANMSZWGMR-GHMZBOCLSA-N 1 0 244.342 1.604 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1nc2ccccc2[nH]1 ZINC000630558281 364257214 /nfs/dbraw/zinc/25/72/14/364257214.db2.gz SULGJANQALTODA-DTWKUNHWSA-N 1 0 216.288 1.489 10 0 BDAERO [NH3+][C@H](CCNc1cnccn1)Cc1ccccc1 ZINC000630576712 364273294 /nfs/dbraw/zinc/27/32/94/364273294.db2.gz ZFYUKPAKMLQGNP-CYBMUJFWSA-N 1 0 242.326 1.849 10 0 BDAERO COc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)ncn1 ZINC000630531774 364224691 /nfs/dbraw/zinc/22/46/91/364224691.db2.gz DEMGCTJOJWEUIO-BDAKNGLRSA-N 1 0 222.292 1.038 10 0 BDAERO Cc1noc2ncnc(N[C@@H]3CC[C@@H](C)[NH2+]C3)c12 ZINC000630533548 364225927 /nfs/dbraw/zinc/22/59/27/364225927.db2.gz CXEYAPWJCKTDAN-VXNVDRBHSA-N 1 0 247.302 1.479 10 0 BDAERO Cc1ccnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000630533926 364227060 /nfs/dbraw/zinc/22/70/60/364227060.db2.gz HPIRJGWKKXJWAN-GHMZBOCLSA-N 1 0 205.305 1.942 10 0 BDAERO [NH3+]CC1CCC(C(=O)N2CCCOCC2)CC1 ZINC000061940227 181363939 /nfs/dbraw/zinc/36/39/39/181363939.db2.gz UTKYDLGXTIHOPA-UHFFFAOYSA-N 1 0 240.347 1.000 10 0 BDAERO [NH3+]CC1(c2nc3ccccc3[nH]2)CCC1 ZINC000082913036 181364079 /nfs/dbraw/zinc/36/40/79/181364079.db2.gz JZXPCMLPQSPJHR-UHFFFAOYSA-N 1 0 201.273 1.943 10 0 BDAERO [NH3+]CC1(c2nc3cccnc3[nH]2)CCCC1 ZINC000082971271 181363490 /nfs/dbraw/zinc/36/34/90/181363490.db2.gz LKVZNYFNNXHGDO-UHFFFAOYSA-N 1 0 216.288 1.728 10 0 BDAERO [NH3+]CCC(=O)N(Cc1ccco1)C1CCCC1 ZINC000033465781 181366220 /nfs/dbraw/zinc/36/62/20/181366220.db2.gz BDRBVKVKWVQBSG-UHFFFAOYSA-N 1 0 236.315 1.900 10 0 BDAERO CC(C)OCCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247491448 364623431 /nfs/dbraw/zinc/62/34/31/364623431.db2.gz UGYUCQLKLSWGSV-KGLIPLIRSA-N 1 0 240.391 1.970 10 0 BDAERO [NH3+]CCC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000061118067 181368520 /nfs/dbraw/zinc/36/85/20/181368520.db2.gz FMQMRVCSIHIXFV-UHFFFAOYSA-N 1 0 218.178 1.391 10 0 BDAERO [NH3+]CCC(=O)Nc1cccc(-n2cccn2)c1 ZINC000037004072 181368807 /nfs/dbraw/zinc/36/88/07/181368807.db2.gz CLTJOTHIJWKAAB-UHFFFAOYSA-N 1 0 230.271 1.160 10 0 BDAERO [NH3+]CCC(=O)Nc1cc(Cl)ccc1F ZINC000035284650 181369044 /nfs/dbraw/zinc/36/90/44/181369044.db2.gz VFEOOMGWQHIDMJ-UHFFFAOYSA-N 1 0 216.643 1.766 10 0 BDAERO [NH3+]CCCC(=O)N[C@H]1CCc2ccccc21 ZINC000034551841 181372722 /nfs/dbraw/zinc/37/27/22/181372722.db2.gz NXZDWVQGGKWABB-LBPRGKRZSA-N 1 0 218.300 1.529 10 0 BDAERO [NH3+]CCCCOCCOc1ccccc1 ZINC000019390196 181377262 /nfs/dbraw/zinc/37/72/62/181377262.db2.gz JXOLEOGFFDLPNI-UHFFFAOYSA-N 1 0 209.289 1.821 10 0 BDAERO [NH3+]CCCN(Cc1cccnc1)C(=O)C1CCC1 ZINC000019811561 181379537 /nfs/dbraw/zinc/37/95/37/181379537.db2.gz ITTAUQVYTQDKTE-UHFFFAOYSA-N 1 0 247.342 1.559 10 0 BDAERO [NH3+]CCCNc1nncc2ccccc21 ZINC000035663595 181383038 /nfs/dbraw/zinc/38/30/38/181383038.db2.gz KUHYUWXNEQOXJD-UHFFFAOYSA-N 1 0 202.261 1.391 10 0 BDAERO [NH3+]CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000022171160 181384978 /nfs/dbraw/zinc/38/49/78/181384978.db2.gz YAOHNSRQLRUDTR-UHFFFAOYSA-N 1 0 220.272 1.299 10 0 BDAERO [NH3+]CCCSc1nnnn1-c1ccccc1 ZINC000002538857 181385051 /nfs/dbraw/zinc/38/50/51/181385051.db2.gz WIIAGCDXRXREFC-UHFFFAOYSA-N 1 0 235.316 1.103 10 0 BDAERO [NH3+]CCC[C@H](C(=O)NC1CC1)c1ccco1 ZINC000076611167 181385856 /nfs/dbraw/zinc/38/58/56/181385856.db2.gz XXGDQRIRVNIKRR-JTQLQIEISA-N 1 0 222.288 1.381 10 0 BDAERO [NH3+]CCCc1noc(-c2c(F)cccc2F)n1 ZINC000054139086 181388666 /nfs/dbraw/zinc/38/86/66/181388666.db2.gz VPUPBBXBQFNLNN-UHFFFAOYSA-N 1 0 239.225 1.906 10 0 BDAERO [NH3+]CCN(C(=O)c1ccccc1F)C1CC1 ZINC000041056779 181390344 /nfs/dbraw/zinc/39/03/44/181390344.db2.gz QMWRIHNRRDFGNE-UHFFFAOYSA-N 1 0 222.263 1.389 10 0 BDAERO [NH3+]CCN(C(=O)c1ccc(O)cc1)C1CCCC1 ZINC000070943684 181390566 /nfs/dbraw/zinc/39/05/66/181390566.db2.gz LHORUTGAYCDUGO-UHFFFAOYSA-N 1 0 248.326 1.736 10 0 BDAERO [NH3+]CCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000032014832 181390782 /nfs/dbraw/zinc/39/07/82/181390782.db2.gz DFCSLLVBDUWNQD-GFCCVEGCSA-N 1 0 224.304 1.219 10 0 BDAERO [NH3+]CCN(Cc1ccco1)Cc1cccnc1 ZINC000076614642 181390807 /nfs/dbraw/zinc/39/08/07/181390807.db2.gz WXZLEDQSPUMSHL-UHFFFAOYSA-N 1 0 231.299 1.636 10 0 BDAERO [NH3+]CCCn1nnnc1C1(c2ccccc2)CC1 ZINC000062782040 181390941 /nfs/dbraw/zinc/39/09/41/181390941.db2.gz VOJZTNFDJZXGDF-UHFFFAOYSA-N 1 0 243.314 1.102 10 0 BDAERO [NH3+]CCNC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000037921556 181395863 /nfs/dbraw/zinc/39/58/63/181395863.db2.gz ABFALPHNBWHMQU-STQMWFEESA-N 1 0 248.326 1.229 10 0 BDAERO NC(=O)c1ccc(NCC[NH3+])cc1C(F)(F)F ZINC000037902521 181398464 /nfs/dbraw/zinc/39/84/64/181398464.db2.gz PKXYBSRNGOIINX-UHFFFAOYSA-N 1 0 247.220 1.175 10 0 BDAERO Nc1ccc(NCC[NH3+])c(C(F)(F)F)c1 ZINC000034365010 181398662 /nfs/dbraw/zinc/39/86/62/181398662.db2.gz AHNPMHWRADPLTC-UHFFFAOYSA-N 1 0 219.210 1.658 10 0 BDAERO [NH3+]CCOC[C@H]1CCCCN1C(F)(F)F ZINC000095077607 181399166 /nfs/dbraw/zinc/39/91/66/181399166.db2.gz WDEPLLZHOWGMEI-MRVPVSSYSA-N 1 0 226.242 1.336 10 0 BDAERO [NH3+]CCOCc1ccc2ccccc2n1 ZINC000051864085 181399246 /nfs/dbraw/zinc/39/92/46/181399246.db2.gz MHNDGWANSQIGCN-UHFFFAOYSA-N 1 0 202.257 1.710 10 0 BDAERO [NH3+]CCOCc1sccc1Br ZINC000051864662 181399355 /nfs/dbraw/zinc/39/93/55/181399355.db2.gz JIILQUNOZBWNQA-UHFFFAOYSA-N 1 0 236.134 1.986 10 0 BDAERO [NH3+]CCOCc1ccc2ncccc2c1 ZINC000051864111 181399398 /nfs/dbraw/zinc/39/93/98/181399398.db2.gz MEIKWCSVWSWKEI-UHFFFAOYSA-N 1 0 202.257 1.710 10 0 BDAERO [NH3+]CCOCCOc1cccc2cccnc21 ZINC000041258889 181399526 /nfs/dbraw/zinc/39/95/26/181399526.db2.gz QSPZNZQOBBDYDP-UHFFFAOYSA-N 1 0 232.283 1.589 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000085916114 181407604 /nfs/dbraw/zinc/40/76/04/181407604.db2.gz XOBIXOGNHHLXHZ-VIFPVBQESA-N 1 0 235.205 1.967 10 0 BDAERO [NH3+]CCc1ccc2c(c1)NC(=O)CS2 ZINC000082594611 181412460 /nfs/dbraw/zinc/41/24/60/181412460.db2.gz GHWVLKONKBGASI-UHFFFAOYSA-N 1 0 208.286 1.232 10 0 BDAERO [NH3+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000071790304 181412727 /nfs/dbraw/zinc/41/27/27/181412727.db2.gz XTPXCQGSYYHOKN-UHFFFAOYSA-N 1 0 205.236 1.513 10 0 BDAERO [NH3+]C[C@@H](c1cccnc1)N1CCCSCC1 ZINC000044383130 181425881 /nfs/dbraw/zinc/42/58/81/181425881.db2.gz VZJBZTGUAVBLSI-LBPRGKRZSA-N 1 0 237.372 1.520 10 0 BDAERO [NH3+]C[C@@H]1C(=O)Nc2cc(Br)ccc21 ZINC000105381450 181427168 /nfs/dbraw/zinc/42/71/68/181427168.db2.gz ORSGZURBRJWHAR-ZETCQYMHSA-N 1 0 241.088 1.444 10 0 in-vitro BDAERO [NH3+]C[C@@H]1CCCCN1Cc1ccc(Cl)nn1 ZINC000095072452 181427591 /nfs/dbraw/zinc/42/75/91/181427591.db2.gz FMXLYVWYDXLEOW-JTQLQIEISA-N 1 0 240.738 1.443 10 0 BDAERO CCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000174603882 365498324 /nfs/dbraw/zinc/49/83/24/365498324.db2.gz FZWVBCRGLVUVDB-VXGBXAGGSA-N 1 0 242.363 1.090 10 0 BDAERO Cc1ccc(C)c2[nH]c(=O)c(C[NH3+])cc12 ZINC000011980044 541481609 /nfs/dbraw/zinc/48/16/09/541481609.db2.gz UASWVKWDZWSKCA-UHFFFAOYSA-N 1 0 202.257 1.604 10 0 BDAERO CCc1nn2c(c1C)NC[C@H]1C[NH2+]CC[C@H]12 ZINC000234187245 541511558 /nfs/dbraw/zinc/51/15/58/541511558.db2.gz WKFVHNJXOSUACH-MWLCHTKSSA-N 1 0 220.320 1.330 10 0 BDAERO CC(C)c1cc2n(n1)[C@H]1CC[NH2+]C[C@@H]1CN2 ZINC000232769940 541508018 /nfs/dbraw/zinc/50/80/18/541508018.db2.gz DNDNKHQCXRXZHB-KOLCDFICSA-N 1 0 220.320 1.583 10 0 BDAERO CO[C@@H]([C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000579822391 367023757 /nfs/dbraw/zinc/02/37/57/367023757.db2.gz GVKHLIROASEFIM-IMIFBBOLSA-N 1 0 240.391 1.778 10 0 BDAERO CC[C@@](C)(O)CN[C@H](C)c1nnc(C)o1 ZINC000380308257 367175435 /nfs/dbraw/zinc/17/54/35/367175435.db2.gz GHAOWMCGNFGOQJ-GMSGAONNSA-N 1 0 213.281 1.190 10 0 BDAERO CC[C@@H]([NH2+]C[C@](C)(O)COC)C(C)(C)C ZINC000380344456 367188591 /nfs/dbraw/zinc/18/85/91/367188591.db2.gz SSHHCYRTBVFWHG-PWSUYJOCSA-N 1 0 217.353 1.798 10 0 BDAERO CC[C@@H](CO)[NH2+]C[C@H](O)C1CCCCC1 ZINC000380348702 367189643 /nfs/dbraw/zinc/18/96/43/367189643.db2.gz URVWLDRKSUQXMR-RYUDHWBXSA-N 1 0 215.337 1.288 10 0 BDAERO CC(C)OC1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000581189500 367287940 /nfs/dbraw/zinc/28/79/40/367287940.db2.gz SSXWHGAWGVERJL-LLVKDONJSA-N 1 0 240.347 1.012 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000381419207 367399115 /nfs/dbraw/zinc/39/91/15/367399115.db2.gz AEBYQTZDMLGEGO-NEPJUHHUSA-N 1 0 215.337 1.506 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@](C)(COC)C1 ZINC000381419209 367399335 /nfs/dbraw/zinc/39/93/35/367399335.db2.gz AEBYQTZDMLGEGO-NWDGAFQWSA-N 1 0 215.337 1.506 10 0 BDAERO Cc1nnsc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000381430441 367401486 /nfs/dbraw/zinc/40/14/86/367401486.db2.gz WPPUZJHMNWFBFQ-SNVBAGLBSA-N 1 0 241.360 1.583 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000382188190 367496478 /nfs/dbraw/zinc/49/64/78/367496478.db2.gz BZPZIPCWVDPFJS-QNWHQSFQSA-N 1 0 209.333 1.926 10 0 BDAERO COC(=O)[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000383203639 367606776 /nfs/dbraw/zinc/60/67/76/367606776.db2.gz ZSTCKMQQYBAWFJ-SNVBAGLBSA-N 1 0 247.285 1.917 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCCC(=O)NC1CC1 ZINC000384140301 367673268 /nfs/dbraw/zinc/67/32/68/367673268.db2.gz MTNLTBYNDCUCLR-LLVKDONJSA-N 1 0 242.363 1.042 10 0 BDAERO Cc1nnsc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000384268875 367680224 /nfs/dbraw/zinc/68/02/24/367680224.db2.gz RANWQUABLHVIKD-IUCAKERBSA-N 1 0 226.349 1.206 10 0 BDAERO Cc1nnsc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000384268879 367680478 /nfs/dbraw/zinc/68/04/78/367680478.db2.gz RANWQUABLHVIKD-RKDXNWHRSA-N 1 0 226.349 1.206 10 0 BDAERO CC(C)(O)c1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000384982041 367769853 /nfs/dbraw/zinc/76/98/53/367769853.db2.gz NOZMQPIIMCRCPJ-UHFFFAOYSA-N 1 0 249.354 1.775 10 0 BDAERO COC(C)(C)CC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384832707 367739203 /nfs/dbraw/zinc/73/92/03/367739203.db2.gz HCIBSKBXNFPYPL-QWRGUYRKSA-N 1 0 215.337 1.647 10 0 BDAERO C[C@H](CC(C)(C)C)[NH2+]CCn1cncn1 ZINC000384870998 367747261 /nfs/dbraw/zinc/74/72/61/367747261.db2.gz GFUQHNZLYKTCQQ-SNVBAGLBSA-N 1 0 210.325 1.692 10 0 BDAERO OC[C@H]([NH2+][C@H]1CCn2ccnc21)C1CCCCC1 ZINC000386177022 367923681 /nfs/dbraw/zinc/92/36/81/367923681.db2.gz NYTYXHBAXSGTMG-STQMWFEESA-N 1 0 249.358 1.859 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCS1 ZINC000087668355 367963072 /nfs/dbraw/zinc/96/30/72/367963072.db2.gz ABQGSZIOHXCJRS-MNOVXSKESA-N 1 0 242.388 1.388 10 0 BDAERO Cc1cnc(N2CCC[C@H]([C@H](C)[NH3+])C2)nc1C ZINC000386471795 367978186 /nfs/dbraw/zinc/97/81/86/367978186.db2.gz PBDNNBNHRIPHRW-JQWIXIFHSA-N 1 0 234.347 1.657 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CC(F)F)C1CC1 ZINC000387103031 368050596 /nfs/dbraw/zinc/05/05/96/368050596.db2.gz XNLPWFOJGYJMMU-WCBMZHEXSA-N 1 0 246.301 1.631 10 0 BDAERO Cc1cnc(N2CCC(CC[NH3+])CC2)nc1C ZINC000386637954 368005177 /nfs/dbraw/zinc/00/51/77/368005177.db2.gz IAPCIFBGNXBEDF-UHFFFAOYSA-N 1 0 234.347 1.659 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H](C)O ZINC000386761484 368019063 /nfs/dbraw/zinc/01/90/63/368019063.db2.gz IMBHYZPVDOILAE-UKKRHICBSA-N 1 0 201.310 1.039 10 0 BDAERO C[C@@H]1CC[NH2+][C@@](C)([C@H]2CCOC2)S1 ZINC000252954188 368171163 /nfs/dbraw/zinc/17/11/63/368171163.db2.gz QOEVWZOYLLPPKM-KXUCPTDWSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC12CCCCC2 ZINC000387290554 368142651 /nfs/dbraw/zinc/14/26/51/368142651.db2.gz NYCUNESOEMIFIO-UTUOFQBUSA-N 1 0 236.359 1.681 10 0 BDAERO CCOC(=O)c1ccc2c(cnn2CCC[NH3+])c1 ZINC000034458604 368323649 /nfs/dbraw/zinc/32/36/49/368323649.db2.gz IATWVJIVOHIRTP-UHFFFAOYSA-N 1 0 247.298 1.562 10 0 BDAERO COc1ccc([C@H]([NH3+])C2CCOCC2)cn1 ZINC000095825705 368338554 /nfs/dbraw/zinc/33/85/54/368338554.db2.gz GBTBYAXJZGYIEA-GFCCVEGCSA-N 1 0 222.288 1.517 10 0 BDAERO c1csc(-c2nc3n(n2)CCNC3)c1 ZINC000218740116 368398315 /nfs/dbraw/zinc/39/83/15/368398315.db2.gz KIYRUCDLOKXSLS-UHFFFAOYSA-N 1 0 206.274 1.110 10 0 BDAERO [NH3+]C[C@@H]1CCN(c2ncnc3ccccc32)C1 ZINC000050249919 181435492 /nfs/dbraw/zinc/43/54/92/181435492.db2.gz XEBMOLPVQWKSOQ-JTQLQIEISA-N 1 0 228.299 1.415 10 0 BDAERO C[C@H](C[NH3+])CNc1ncnc2ccccc21 ZINC000083387636 368771373 /nfs/dbraw/zinc/77/13/73/368771373.db2.gz PXSZWANNPGMRDH-SECBINFHSA-N 1 0 216.288 1.637 10 0 BDAERO CC(C)c1nsc(N2CC[C@@H]([NH3+])C2)n1 ZINC000083670253 368801516 /nfs/dbraw/zinc/80/15/16/368801516.db2.gz VBGVNCNISSJRKU-SSDOTTSWSA-N 1 0 212.322 1.199 10 0 BDAERO CC1CC(C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000567261109 326152357 /nfs/dbraw/zinc/15/23/57/326152357.db2.gz BEHKAGYTGXOUAI-GCZXYKMCSA-N 1 0 224.348 1.538 10 0 BDAERO CO[C@@H]1CCC[C@H](O[C@H]2CCC[NH2+]C2)C1 ZINC000085383737 368864215 /nfs/dbraw/zinc/86/42/15/368864215.db2.gz JNPSEKOSYILCGY-WOPDTQHZSA-N 1 0 213.321 1.713 10 0 BDAERO CC[NH2+]CCCNc1cc(OCC)ncn1 ZINC000085482527 368865784 /nfs/dbraw/zinc/86/57/84/368865784.db2.gz RPSWOBIXZHUDFP-UHFFFAOYSA-N 1 0 224.308 1.287 10 0 BDAERO C(c1nc([C@H]2CCCO2)no1)[C@@H]1CCC[NH2+]C1 ZINC000087801421 368897788 /nfs/dbraw/zinc/89/77/88/368897788.db2.gz AXLJVPGTIYMFSR-VHSXEESVSA-N 1 0 237.303 1.463 10 0 BDAERO CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C ZINC000250224018 368903075 /nfs/dbraw/zinc/90/30/75/368903075.db2.gz FEOJQPMXCUMWEV-RVMXOQNASA-N 1 0 236.359 1.585 10 0 BDAERO CC[C@@H]1CCC[C@@]12C[NH2+]C[C@H]2C(=O)OC ZINC000253258591 368904770 /nfs/dbraw/zinc/90/47/70/368904770.db2.gz HDDVDKNOESXSAV-JFGNBEQYSA-N 1 0 211.305 1.575 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(F)cn1 ZINC000088248505 368908544 /nfs/dbraw/zinc/90/85/44/368908544.db2.gz TWVWNDXAFVXJIF-VIFPVBQESA-N 1 0 237.278 1.549 10 0 BDAERO CN1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC000114480632 368942558 /nfs/dbraw/zinc/94/25/58/368942558.db2.gz WHRBBWJHEWDMJS-UHFFFAOYSA-N 1 0 243.354 1.958 10 0 BDAERO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000623766330 369001142 /nfs/dbraw/zinc/00/11/42/369001142.db2.gz DNUVGMITCQWARZ-RQJABVFESA-N 1 0 241.375 1.942 10 0 BDAERO Cc1cc[n+](NC(=O)c2ccccc2)cc1 ZINC000005379758 369026045 /nfs/dbraw/zinc/02/60/45/369026045.db2.gz BKCJEFFBFUEEQD-UHFFFAOYSA-O 1 0 213.260 1.666 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cs1 ZINC000623766584 369030654 /nfs/dbraw/zinc/03/06/54/369030654.db2.gz IQVXOOGVYCIUDT-MNOVXSKESA-N 1 0 227.329 1.296 10 0 BDAERO COc1cc(C)c(OC)c2c1C[C@H]([NH3+])C=C2 ZINC000006069896 369031620 /nfs/dbraw/zinc/03/16/20/369031620.db2.gz KDQRIFZRBIPQEW-SECBINFHSA-N 1 0 219.284 1.909 10 0 BDAERO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070500158 181441600 /nfs/dbraw/zinc/44/16/00/181441600.db2.gz PVMUHBGYQLLMPJ-LDYMZIIASA-N 1 0 229.682 1.904 10 0 BDAERO CC(C)COCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838665 369120110 /nfs/dbraw/zinc/12/01/10/369120110.db2.gz SMWIZYVRIVSOGD-NEPJUHHUSA-N 1 0 214.353 1.186 10 0 BDAERO CNc1ccccc1[C@@H]1CN(CC[NH3+])CCCO1 ZINC000616680223 369111322 /nfs/dbraw/zinc/11/13/22/369111322.db2.gz POXMRDTWBMBPNZ-AWEZNQCLSA-N 1 0 249.358 1.450 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cocn1 ZINC000616691793 369114395 /nfs/dbraw/zinc/11/43/95/369114395.db2.gz OBXDJCUZIRDCKA-CYBMUJFWSA-N 1 0 244.298 1.607 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Cn2cc(Cl)cn2)O1 ZINC000052577218 181465901 /nfs/dbraw/zinc/46/59/01/181465901.db2.gz BVAKRDYJESUPES-RKDXNWHRSA-N 1 0 215.684 1.043 10 0 BDAERO [NH3+]Cc1c(F)cccc1N1CCOC1=O ZINC000036158733 181472848 /nfs/dbraw/zinc/47/28/48/181472848.db2.gz REXFRSHRQNDQBW-UHFFFAOYSA-N 1 0 210.208 1.241 10 0 BDAERO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(O)cc2)C1 ZINC000044528512 181459453 /nfs/dbraw/zinc/45/94/53/181459453.db2.gz ZHENWMYYGDAHFT-SNVBAGLBSA-N 1 0 234.299 1.203 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cncc(F)c1 ZINC000623766941 369215703 /nfs/dbraw/zinc/21/57/03/369215703.db2.gz NVHMHMCNKFSMQY-UWJYBYFXSA-N 1 0 240.278 1.021 10 0 BDAERO CC[C@@H](c1ccc(C)o1)N1CC[NH2+]CC1 ZINC000106890602 369215819 /nfs/dbraw/zinc/21/58/19/369215819.db2.gz COEBJUUSQHAZBD-NSHDSACASA-N 1 0 208.305 1.944 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cncc(F)c1 ZINC000623766939 369216180 /nfs/dbraw/zinc/21/61/80/369216180.db2.gz NVHMHMCNKFSMQY-AXTRIDKLSA-N 1 0 240.278 1.021 10 0 BDAERO CSC[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000400137015 369343209 /nfs/dbraw/zinc/34/32/09/369343209.db2.gz VSXXJDYYIOKNKG-GMTAPVOTSA-N 1 0 242.388 1.196 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCC[C@H]1CCOC1 ZINC000400686709 369353196 /nfs/dbraw/zinc/35/31/96/369353196.db2.gz XVRRHCLRLFJSNM-RYUDHWBXSA-N 1 0 229.364 1.800 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000623767249 369375384 /nfs/dbraw/zinc/37/53/84/369375384.db2.gz SNLWLQGHNRCGCF-CABCVRRESA-N 1 0 247.338 1.803 10 0 BDAERO c1ccc(CC[N@@H+]2CC[C@@H]3OCCN[C@@H]3C2)cc1 ZINC000404042278 369417125 /nfs/dbraw/zinc/41/71/25/369417125.db2.gz AQTNTCQIULLCDO-CABCVRRESA-N 1 0 246.354 1.292 10 0 BDAERO [NH3+]Cc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC000035327287 181482132 /nfs/dbraw/zinc/48/21/32/181482132.db2.gz FIUWJPBHTCNGGL-UHFFFAOYSA-N 1 0 232.283 1.184 10 0 BDAERO [NH3+]Cc1ccc(C(=O)NN2CCCCC2)cc1 ZINC000159920514 181480942 /nfs/dbraw/zinc/48/09/42/181480942.db2.gz LAYLIURTSHNNJJ-UHFFFAOYSA-N 1 0 233.315 1.276 10 0 BDAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250552907 369545948 /nfs/dbraw/zinc/54/59/48/369545948.db2.gz AODCBNIVMGCIKL-YVECIDJPSA-N 1 0 236.359 1.585 10 0 BDAERO [NH3+]Cc1ccnc(N(CCO)C2CCCC2)c1 ZINC000042482775 181490515 /nfs/dbraw/zinc/49/05/15/181490515.db2.gz MBNPDDFWCXVUOO-UHFFFAOYSA-N 1 0 235.331 1.282 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NCCCC2CC2)C1 ZINC000158446958 326322679 /nfs/dbraw/zinc/32/26/79/326322679.db2.gz WZORDFSWLQMGSL-QWRGUYRKSA-N 1 0 210.321 1.420 10 0 BDAERO CS[C@H](C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252788513 370131333 /nfs/dbraw/zinc/13/13/33/370131333.db2.gz XCRPBJYHCVUMIM-UTLUCORTSA-N 1 0 230.377 1.229 10 0 BDAERO CC[NH+](CC)CCCNC(=O)N[C@H]1C[C@@H]1C ZINC000076050340 370206188 /nfs/dbraw/zinc/20/61/88/370206188.db2.gz UCEWSEQJWGJFOE-QWRGUYRKSA-N 1 0 227.352 1.426 10 0 BDAERO COC(=O)c1ccc(N2CC[C@H]([NH3+])[C@H]2C)nc1C ZINC000310750367 370363001 /nfs/dbraw/zinc/36/30/01/370363001.db2.gz HZVXHDRVZXXMBR-KOLCDFICSA-N 1 0 249.314 1.103 10 0 BDAERO C[N@@H+]1CC[C@H](c2ccccc2CCO)C1 ZINC000215288262 370418270 /nfs/dbraw/zinc/41/82/70/370418270.db2.gz IQFMPZRNOPKPGX-LBPRGKRZSA-N 1 0 205.301 1.641 10 0 BDAERO COC(=O)C[C@@]1([NH3+])CCN(Cc2ccccc2)C1 ZINC000215292493 370441164 /nfs/dbraw/zinc/44/11/64/370441164.db2.gz WBHLCJSVESYTRY-AWEZNQCLSA-N 1 0 248.326 1.153 10 0 BDAERO COC(=O)C[C@]1([NH3+])CCN(Cc2ccccc2)C1 ZINC000215292453 370441882 /nfs/dbraw/zinc/44/18/82/370441882.db2.gz WBHLCJSVESYTRY-CQSZACIVSA-N 1 0 248.326 1.153 10 0 BDAERO [NH3+]Cc1nccn1CC(=O)Nc1ccc(F)cc1 ZINC000051004166 181502374 /nfs/dbraw/zinc/50/23/74/181502374.db2.gz PZNXGTGJZHMPSU-UHFFFAOYSA-N 1 0 248.261 1.120 10 0 BDAERO Cc1nccnc1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000621716607 370465106 /nfs/dbraw/zinc/46/51/06/370465106.db2.gz GXFQRMZFCAHYOL-DGCLKSJQSA-N 1 0 246.358 1.454 10 0 BDAERO c1cn(CCOc2ccc3c(c2)C[NH2+]C3)cn1 ZINC000113592772 370439302 /nfs/dbraw/zinc/43/93/02/370439302.db2.gz MWBLRUURBRGEIH-UHFFFAOYSA-N 1 0 229.283 1.565 10 0 BDAERO CC1=[N+]([O-])C(C)(C)[N+](O)=C1c1ccc(F)cc1 ZINC000225400961 370546241 /nfs/dbraw/zinc/54/62/41/370546241.db2.gz XYRDOJHQQYTKNM-UHFFFAOYSA-N 1 0 238.262 1.629 10 0 BDAERO [NH3+][C@@H](CO)Cc1ccccc1Br ZINC000044463645 181547734 /nfs/dbraw/zinc/54/77/34/181547734.db2.gz QDTJZOHATDYRIN-MRVPVSSYSA-N 1 0 230.105 1.311 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccco1 ZINC000038049155 181573992 /nfs/dbraw/zinc/57/39/92/181573992.db2.gz HYALAXLGXXPRQI-LASXONHFSA-N 1 0 234.299 1.679 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](CC(=O)N2CCCC2)C1 ZINC000055091681 181580450 /nfs/dbraw/zinc/58/04/50/181580450.db2.gz BHNKSRQKRIGROM-GHMZBOCLSA-N 1 0 210.321 1.516 10 0 BDAERO [NH3+][C@H]1CCc2c1cccc2O[C@@H]1CCOC1=O ZINC000062798586 181654874 /nfs/dbraw/zinc/65/48/74/181654874.db2.gz RSIZTYHRVJGPAC-CMPLNLGQSA-N 1 0 233.267 1.327 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)C1CCCCC1 ZINC000038048861 181641511 /nfs/dbraw/zinc/64/15/11/181641511.db2.gz ZAHIJVSMZVWKPA-RYUDHWBXSA-N 1 0 224.348 1.953 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000041064634 181642582 /nfs/dbraw/zinc/64/25/82/181642582.db2.gz ILZVDZXGAFHHND-NWDGAFQWSA-N 1 0 244.294 1.553 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000624235387 371422324 /nfs/dbraw/zinc/42/23/24/371422324.db2.gz JPQKRIPZQNDPIQ-FPMFFAJLSA-N 1 0 235.327 1.795 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccco1 ZINC000624235483 371423200 /nfs/dbraw/zinc/42/32/00/371423200.db2.gz KYSHWXUPYWNRPK-AEJSXWLSSA-N 1 0 211.261 1.080 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)C1CCCC1 ZINC000624236708 371425165 /nfs/dbraw/zinc/42/51/65/371425165.db2.gz IHFVWKDOVSXNAT-DLOVCJGASA-N 1 0 213.321 1.305 10 0 BDAERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCOC[C@H]1O ZINC000624239052 371427579 /nfs/dbraw/zinc/42/75/79/371427579.db2.gz BZCNKXLHJBXPAU-MROQNXINSA-N 1 0 227.348 1.695 10 0 BDAERO CCOC1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624239028 371427665 /nfs/dbraw/zinc/42/76/65/371427665.db2.gz BOUJFDTWMOFJGM-TUUUFIMRSA-N 1 0 243.347 1.074 10 0 BDAERO O[C@@]1(C(F)(F)Br)CCC[NH2+]CC1 ZINC000225663659 371564411 /nfs/dbraw/zinc/56/44/11/371564411.db2.gz GZKSMZKTMLLTED-LURJTMIESA-N 1 0 244.079 1.479 10 0 BDAERO FC(F)(Br)[C@]1(F)CC[NH2+]C1 ZINC000225683995 371565717 /nfs/dbraw/zinc/56/57/17/371565717.db2.gz WKXCYEOSABTPMV-BYPYZUCNSA-N 1 0 218.016 1.676 10 0 BDAERO [NH3+]CC[C@H](F)C(F)(F)Br ZINC000225685118 371566174 /nfs/dbraw/zinc/56/61/74/371566174.db2.gz AWJHKFRZBMJVQY-VKHMYHEASA-N 1 0 206.005 1.661 10 0 BDAERO C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000161799018 371566366 /nfs/dbraw/zinc/56/63/66/371566366.db2.gz KWOIEJRACTXEDJ-SECBINFHSA-N 1 0 248.095 1.841 10 0 BDAERO CC(C)(C[NH3+])CNC(=O)OCc1ccccc1 ZINC000002525362 371568562 /nfs/dbraw/zinc/56/85/62/371568562.db2.gz BREMQJGDPINLKN-UHFFFAOYSA-N 1 0 236.315 1.898 10 0 BDAERO C[NH2+]Cc1nnc([C@H]2CO[C@H](C)C2)s1 ZINC000161859507 371572474 /nfs/dbraw/zinc/57/24/74/371572474.db2.gz OHEIFZOYVRREFF-RNFRBKRXSA-N 1 0 213.306 1.150 10 0 BDAERO CC(C)[C@](C)(C[NH3+])N1C(=O)c2ccccc2C1=O ZINC000131284898 371581388 /nfs/dbraw/zinc/58/13/88/371581388.db2.gz JGEPOECTGVXWBC-AWEZNQCLSA-N 1 0 246.310 1.656 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1OCc1cncs1 ZINC000131487401 371609826 /nfs/dbraw/zinc/60/98/26/371609826.db2.gz UERDFUNPHPUESU-VHSXEESVSA-N 1 0 212.318 1.930 10 0 BDAERO Cc1ncc(C[C@]2(CO)CCC[NH2+]2)s1 ZINC000215666571 371612728 /nfs/dbraw/zinc/61/27/28/371612728.db2.gz GEPRTVFGQRQMRI-JTQLQIEISA-N 1 0 212.318 1.109 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)c1cncnc1 ZINC000226475053 371672644 /nfs/dbraw/zinc/67/26/44/371672644.db2.gz QAGIQMHJLVKMSO-VHSXEESVSA-N 1 0 205.261 1.177 10 0 BDAERO CN(c1nccs1)[C@H]1CCC[NH2+]CC1 ZINC000226481399 371676402 /nfs/dbraw/zinc/67/64/02/371676402.db2.gz QCCHABVSMBMTLZ-VIFPVBQESA-N 1 0 211.334 1.721 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)Cc1cncs1 ZINC000226485050 371676756 /nfs/dbraw/zinc/67/67/56/371676756.db2.gz HTERLZSIQSVWOF-BDAKNGLRSA-N 1 0 210.302 1.382 10 0 BDAERO c1ccc2c(c1)cncc2[C@@H]1C[NH2+]CCO1 ZINC000215732751 371621022 /nfs/dbraw/zinc/62/10/22/371621022.db2.gz SZPGMBNTIAZATR-ZDUSSCGKSA-N 1 0 214.268 1.896 10 0 BDAERO [NH3+][C@H]1CCCCC[C@H]1Oc1nncs1 ZINC000131564892 371625005 /nfs/dbraw/zinc/62/50/05/371625005.db2.gz ILLBSZRWESEOJY-JGVFFNPUSA-N 1 0 213.306 1.577 10 0 BDAERO [NH3+][C@H]1CCCCC[C@H]1Oc1ncns1 ZINC000131577357 371626973 /nfs/dbraw/zinc/62/69/73/371626973.db2.gz BJANQPNODFBRDE-JGVFFNPUSA-N 1 0 213.306 1.577 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1Oc1ccncc1Cl ZINC000131617447 371634789 /nfs/dbraw/zinc/63/47/89/371634789.db2.gz FVXUEHJXTZTOSR-WCBMZHEXSA-N 1 0 212.680 1.994 10 0 BDAERO c1ncc(CNC2=[NH+]CCCS2)s1 ZINC000131649713 371641303 /nfs/dbraw/zinc/64/13/03/371641303.db2.gz VXWKRSJSHRRQSU-UHFFFAOYSA-N 1 0 213.331 1.726 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1C(=O)c1cncc(F)c1 ZINC000226689276 371724794 /nfs/dbraw/zinc/72/47/94/371724794.db2.gz CHDJVGJRWAAQGI-OIBJUYFYSA-N 1 0 208.236 1.401 10 0 BDAERO C[C@]([NH3+])(CCO)c1ccc(Br)o1 ZINC000131868977 371700147 /nfs/dbraw/zinc/70/01/47/371700147.db2.gz TUPRNFLPZLZVST-QMMMGPOBSA-N 1 0 234.093 1.598 10 0 BDAERO [NH3+]C1(C(=O)Cc2ccccc2F)CCC1 ZINC000226780116 371743486 /nfs/dbraw/zinc/74/34/86/371743486.db2.gz PDNYMDZXQNWEHY-UHFFFAOYSA-N 1 0 207.248 1.819 10 0 BDAERO Cc1ccc(C(=O)C2(C[NH3+])CCC2)cn1 ZINC000226790359 371744575 /nfs/dbraw/zinc/74/45/75/371744575.db2.gz YDXWBHNFTLVTJY-UHFFFAOYSA-N 1 0 204.273 1.702 10 0 BDAERO [NH3+]CC1(C(=O)c2cccnc2)CCCC1 ZINC000226794179 371744727 /nfs/dbraw/zinc/74/47/27/371744727.db2.gz KTGCZOABNXIHCE-UHFFFAOYSA-N 1 0 204.273 1.783 10 0 BDAERO O=C(Nc1cccc2c1CC[NH2+]C2)C(F)(F)F ZINC000132314401 371791386 /nfs/dbraw/zinc/79/13/86/371791386.db2.gz AXHFGGWBNBTSRO-UHFFFAOYSA-N 1 0 244.216 1.833 10 0 BDAERO CCC[C@@H]1CC[C@H]([NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000226801041 371746530 /nfs/dbraw/zinc/74/65/30/371746530.db2.gz IDMVHFGGCHNXNX-UTLUCORTSA-N 1 0 219.350 1.327 10 0 BDAERO Cn1ccnc1S[C@H]1CCCC[NH2+]C1 ZINC000132131545 371755964 /nfs/dbraw/zinc/75/59/64/371755964.db2.gz IEQNDICXKAKSIP-VIFPVBQESA-N 1 0 211.334 1.654 10 0 BDAERO Cc1nnc(N2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000227078000 371781476 /nfs/dbraw/zinc/78/14/76/371781476.db2.gz HKCAYYJNHOVCBO-XPUUQOCRSA-N 1 0 212.322 1.020 10 0 BDAERO C[C@@H]1CCS[C@]2(CC[C@@H](C)OC2)[NH2+]1 ZINC000401668406 371799825 /nfs/dbraw/zinc/79/98/25/371799825.db2.gz PPYSJXGLIZZNMG-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO CC(C)NC(=[NH2+])N1CCS[C@@H](C)[C@@H]1C ZINC000132445546 371824171 /nfs/dbraw/zinc/82/41/71/371824171.db2.gz BRGDRWFMMGBESF-IUCAKERBSA-N 1 0 215.366 1.745 10 0 BDAERO [NH3+]CCc1ncc(Cl)cc1Br ZINC000162872897 371872794 /nfs/dbraw/zinc/87/27/94/371872794.db2.gz HOVZMMSVOYVENG-UHFFFAOYSA-N 1 0 235.512 1.999 10 0 BDAERO C[C@@H]([NH3+])CCCNC(=O)NCc1ccccc1 ZINC000227621880 371908544 /nfs/dbraw/zinc/90/85/44/371908544.db2.gz GHUHFXFIZHGCPI-LLVKDONJSA-N 1 0 235.331 1.613 10 0 BDAERO C[C@H]1CN(CC=C(Cl)Cl)C[C@H]1[NH3+] ZINC000403314935 371989086 /nfs/dbraw/zinc/98/90/86/371989086.db2.gz AVUBLYYHTHPIIG-NKWVEPMBSA-N 1 0 209.120 1.584 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H](C)CSC ZINC000227896431 371954870 /nfs/dbraw/zinc/95/48/70/371954870.db2.gz MQBUQDRXTBNLEL-GHMZBOCLSA-N 1 0 235.393 1.505 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1ccc(F)cc1Br ZINC000217907907 372025842 /nfs/dbraw/zinc/02/58/42/372025842.db2.gz YVYKTMVEOJKLKO-ANLVUFKYSA-N 1 0 248.095 1.969 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1cc(F)ccc1Br ZINC000217907450 372026418 /nfs/dbraw/zinc/02/64/18/372026418.db2.gz SNCAMALNQBADQZ-CDUCUWFYSA-N 1 0 248.095 1.969 10 0 BDAERO CC[C@]1(C)CCSC(NN(C)C)=[NH+]1 ZINC000228523799 372042264 /nfs/dbraw/zinc/04/22/64/372042264.db2.gz MPYHUAYIRWRDBX-SECBINFHSA-N 1 0 201.339 1.714 10 0 BDAERO CC[C@@H]1CSC(NCc2csnn2)=[NH+]1 ZINC000306596255 372043646 /nfs/dbraw/zinc/04/36/46/372043646.db2.gz YSEWUFZIPMHIPY-ZCFIWIBFSA-N 1 0 228.346 1.509 10 0 BDAERO c1csc([C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000228573794 372050200 /nfs/dbraw/zinc/05/02/00/372050200.db2.gz HJSJOYYWWUIOGD-DTWKUNHWSA-N 1 0 210.302 1.679 10 0 BDAERO [NH3+][C@H](c1ccsn1)[C@@H]1CSCCS1 ZINC000307282572 372107868 /nfs/dbraw/zinc/10/78/68/372107868.db2.gz LEUMVAUYEJCAMJ-JGVFFNPUSA-N 1 0 232.399 1.992 10 0 BDAERO CC(C)[S@](=O)N1CCCCC[C@@H]1[NH3+] ZINC000306813258 372070056 /nfs/dbraw/zinc/07/00/56/372070056.db2.gz CLVQCLFSLJUKIL-RNCFNFMXSA-N 1 0 204.339 1.219 10 0 BDAERO O[C@]1(c2sccc2Cl)CCC[NH2+]C1 ZINC000228773142 372078805 /nfs/dbraw/zinc/07/88/05/372078805.db2.gz UGBKUFPHOSVCJP-SECBINFHSA-N 1 0 217.721 1.973 10 0 BDAERO C[C@@H]1C[NH+]=C(NCc2ccns2)S1 ZINC000404334267 372081640 /nfs/dbraw/zinc/08/16/40/372081640.db2.gz BLYUDYZXTKGFJG-ZCFIWIBFSA-N 1 0 213.331 1.724 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)N1CCC=C(Br)C1 ZINC000404334510 372082419 /nfs/dbraw/zinc/08/24/19/372082419.db2.gz BKFZZPZVPDEGDX-SFYZADRCSA-N 1 0 233.153 1.707 10 0 BDAERO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(N)=[NH2+] ZINC000058681098 372082968 /nfs/dbraw/zinc/08/29/68/372082968.db2.gz CWTWRBZROUUNLF-MRVPVSSYSA-N 1 0 229.324 1.862 10 0 BDAERO O=C1C[C@@H]([NH2+]Cc2cc(Cl)cs2)CN1 ZINC000228987819 372100832 /nfs/dbraw/zinc/10/08/32/372100832.db2.gz HCLPVLPYRQRYCI-SSDOTTSWSA-N 1 0 230.720 1.380 10 0 BDAERO CO[C@@H](C)[C@](C)([NH3+])c1nc(C)c(C)s1 ZINC000229409405 372150132 /nfs/dbraw/zinc/15/01/32/372150132.db2.gz IFJLZTKTVHQCBL-WPRPVWTQSA-N 1 0 214.334 1.969 10 0 BDAERO C(NC1=[NH+]CCS1)[C@H]1CSCCS1 ZINC000229625438 372174336 /nfs/dbraw/zinc/17/43/36/372174336.db2.gz KOUCIWKCAVIYQH-ZETCQYMHSA-N 1 0 234.415 1.527 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@H](O)c1ccc[nH]1 ZINC000307473903 372124104 /nfs/dbraw/zinc/12/41/04/372124104.db2.gz WFQDGYOIJSTUDV-NXEZZACHSA-N 1 0 212.318 1.095 10 0 BDAERO CC1(C)OCC[C@@H]1NC1=[NH+]CCCS1 ZINC000307486938 372125291 /nfs/dbraw/zinc/12/52/91/372125291.db2.gz BOJWZOSGBXDYCD-QMMMGPOBSA-N 1 0 214.334 1.636 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1O)[C@@H]1CC1(C)C ZINC000631751093 372552537 /nfs/dbraw/zinc/55/25/37/372552537.db2.gz TWEKYFOMPZMQFZ-IRCOFANPSA-N 1 0 227.348 1.551 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]C1)Nc1cnoc1 ZINC000061684993 181925686 /nfs/dbraw/zinc/92/56/86/181925686.db2.gz YMZCHEASBCDZIF-SECBINFHSA-N 1 0 223.276 1.393 10 0 BDAERO Cc1nccnc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000631823427 372600000 /nfs/dbraw/zinc/60/00/00/372600000.db2.gz DKSYLYMKQWQCBO-GFCCVEGCSA-N 1 0 234.347 1.359 10 0 BDAERO Cc1nc(CN2C[C@H](C)[C@H](C[NH3+])C2)oc1C ZINC000631840015 372635323 /nfs/dbraw/zinc/63/53/23/372635323.db2.gz OHFOFPPZTQAWFJ-GZMMTYOYSA-N 1 0 223.320 1.318 10 0 BDAERO C[C@H]1CN(Cc2nnsc2Cl)C[C@@H]1C[NH3+] ZINC000631841460 372639051 /nfs/dbraw/zinc/63/90/51/372639051.db2.gz KUQYEEFSOZOZHN-BQBZGAKWSA-N 1 0 246.767 1.218 10 0 BDAERO O=C(C[NH2+]CC1CC1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819617 181976774 /nfs/dbraw/zinc/97/67/74/181976774.db2.gz FLDZDOSHTWJWFZ-CYBMUJFWSA-N 1 0 247.342 1.678 10 0 BDAERO O=C(C[NH2+]C[C@@H]1CCOC1)N1CCCCCC1 ZINC000038094157 181978640 /nfs/dbraw/zinc/97/86/40/181978640.db2.gz NQFKHCSPXIKUMI-LBPRGKRZSA-N 1 0 240.347 1.015 10 0 BDAERO O=C(C[NH2+][C@H]1CC[C@H](O)CC1)c1ccccn1 ZINC000100279983 181981978 /nfs/dbraw/zinc/98/19/78/181981978.db2.gz MAIPYAIWLJRBDY-PHIMTYICSA-N 1 0 234.299 1.157 10 0 BDAERO O=C(C[C@@H]1CCCC[NH2+]1)NC[C@H]1CCCCO1 ZINC000042824954 182016781 /nfs/dbraw/zinc/01/67/81/182016781.db2.gz MWIPAOVHSWWCIF-NWDGAFQWSA-N 1 0 240.347 1.204 10 0 BDAERO O=C(CSc1cccs1)N1CC[NH2+]CC1 ZINC000019686551 182010264 /nfs/dbraw/zinc/01/02/64/182010264.db2.gz XECMQUCEBDSDHP-UHFFFAOYSA-N 1 0 242.369 1.272 10 0 BDAERO CCCCN1C[C@@H](CC[NH2+]C)OC1=O ZINC000077296867 168834503 /nfs/dbraw/zinc/83/45/03/168834503.db2.gz GMZGUYSSJQQCHJ-SECBINFHSA-N 1 0 200.282 1.217 10 0 BDAERO O[C@@H]1C[NH2+]C[C@H]1Oc1ccc(Cl)cc1 ZINC000039599252 372999695 /nfs/dbraw/zinc/99/96/95/372999695.db2.gz JJBVQZMGJOHVOD-NXEZZACHSA-N 1 0 213.664 1.052 10 0 BDAERO O=C(Cc1ccccc1)NCC[C@@H]1CCCC[NH2+]1 ZINC000019503961 182044248 /nfs/dbraw/zinc/04/42/48/182044248.db2.gz RDSMXYRNQJKLNH-AWEZNQCLSA-N 1 0 246.354 1.878 10 0 BDAERO CC1CC(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000632863295 373197370 /nfs/dbraw/zinc/19/73/70/373197370.db2.gz ZBARPVSKJJLGPT-POOIEITISA-N 1 0 236.359 1.633 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NCc2csnn2)C1 ZINC000040502722 373360062 /nfs/dbraw/zinc/36/00/62/373360062.db2.gz YNKVSUIAOGDICJ-SECBINFHSA-N 1 0 226.349 1.112 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C)on1 ZINC000175341135 205568954 /nfs/dbraw/zinc/56/89/54/205568954.db2.gz NXNBNLWZELNAHD-ZDUSSCGKSA-N 1 0 237.347 1.899 10 0 BDAERO O=C(NCC1CC1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019482485 182140501 /nfs/dbraw/zinc/14/05/01/182140501.db2.gz JRDKRLLYRCORFG-GRYCIOLGSA-N 1 0 222.332 1.433 10 0 BDAERO C[C@H]1CCCN(C(=O)C(F)(F)F)[C@H]1C[NH3+] ZINC000069726272 373654200 /nfs/dbraw/zinc/65/42/00/373654200.db2.gz RMPJGAZBVNXROO-BQBZGAKWSA-N 1 0 224.226 1.135 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)C(F)(F)F ZINC000069728475 373659002 /nfs/dbraw/zinc/65/90/02/373659002.db2.gz FVUGBAARDQTUGQ-RNFRBKRXSA-N 1 0 224.226 1.135 10 0 BDAERO O=C(NCC[NH2+]C1CC1)c1c[nH]c2ccccc12 ZINC000054265675 182188892 /nfs/dbraw/zinc/18/88/92/182188892.db2.gz FIKFNNHKYGKTAQ-UHFFFAOYSA-N 1 0 243.310 1.650 10 0 BDAERO O=C(NCC[C@@H]1CCC[NH2+]C1)C1[C@@H]2CCC[C@H]12 ZINC000132702310 182198792 /nfs/dbraw/zinc/19/87/92/182198792.db2.gz KUBRXKIBONWBBJ-ACJTYDJDSA-N 1 0 236.359 1.538 10 0 BDAERO O=C(NCC[C@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000061671308 182200572 /nfs/dbraw/zinc/20/05/72/182200572.db2.gz WCIVMHMKEJBWBY-GFCCVEGCSA-N 1 0 240.347 1.061 10 0 BDAERO Cc1nn(C[C@@H](C)C(N)=[NH2+])cc1Cl ZINC000070689596 374178649 /nfs/dbraw/zinc/17/86/49/374178649.db2.gz ZPJZMEMKAWUWBN-RXMQYKEDSA-N 1 0 200.673 1.417 10 0 BDAERO C[NH+](C)Cc1ccc(F)cc1C(N)=S ZINC000070850026 374204909 /nfs/dbraw/zinc/20/49/09/374204909.db2.gz SRCWWLSXBXGHFU-UHFFFAOYSA-N 1 0 212.293 1.522 10 0 BDAERO COC(=O)N=c1[nH]c([C@@H](C)[NH3+])cs1 ZINC000070885747 374222828 /nfs/dbraw/zinc/22/28/28/374222828.db2.gz PYRSEKXAVRRKAW-SCSAIBSYSA-N 1 0 201.251 1.341 10 0 BDAERO CCNC(=O)Nc1nc([C@H](C)[NH3+])cs1 ZINC000070885773 374223017 /nfs/dbraw/zinc/22/30/17/374223017.db2.gz JBWLCCHRPWZNAX-YFKPBYRVSA-N 1 0 214.294 1.304 10 0 BDAERO C1CO[C@H](c2noc([C@]34CCC[C@H]3C[NH2+]C4)n2)C1 ZINC000634558191 374316104 /nfs/dbraw/zinc/31/61/04/374316104.db2.gz RZMDUZAXGAWPSE-KWBADKCTSA-N 1 0 249.314 1.562 10 0 BDAERO O=C(Nc1ccc(Cl)cn1)[C@H]1CC[NH2+]C1 ZINC000062112598 182354395 /nfs/dbraw/zinc/35/43/95/182354395.db2.gz FWDKWSWEKFSXAM-ZETCQYMHSA-N 1 0 225.679 1.283 10 0 BDAERO O=C(Nc1c(F)cccc1F)[C@H]1CCC[NH2+]1 ZINC000020476432 182346042 /nfs/dbraw/zinc/34/60/42/182346042.db2.gz AWHPRLLPTYRHEW-SECBINFHSA-N 1 0 226.226 1.655 10 0 BDAERO O=C(N[C@]12CC[C@H]1C[NH2+]C2)OCc1ccccc1 ZINC000091304337 182346574 /nfs/dbraw/zinc/34/65/74/182346574.db2.gz ATIGQRMQHOITAW-JSGCOSHPSA-N 1 0 246.310 1.665 10 0 BDAERO O=C(Nc1cccc2n[nH]cc21)[C@H]1CCCC[NH2+]1 ZINC000037769531 182373847 /nfs/dbraw/zinc/37/38/47/182373847.db2.gz DCKPIUFORKQGRH-GFCCVEGCSA-N 1 0 244.298 1.644 10 0 BDAERO O=C(Nc1ccncc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049444067 182386023 /nfs/dbraw/zinc/38/60/23/182386023.db2.gz KLILGEKVELMDDS-LBPRGKRZSA-N 1 0 246.314 1.394 10 0 BDAERO O=C(Nc1nc2c(s1)C[NH2+]CC2)C1CC=CC1 ZINC000085160124 182398584 /nfs/dbraw/zinc/39/85/84/182398584.db2.gz LVBIPIURLHZYFK-UHFFFAOYSA-N 1 0 249.339 1.694 10 0 BDAERO O=C(Nc1ncccc1O)[C@@H]1CC12CC[NH2+]CC2 ZINC000128605789 182399696 /nfs/dbraw/zinc/39/96/96/182399696.db2.gz XWQXIPYHRWCTHN-VIFPVBQESA-N 1 0 247.298 1.115 10 0 BDAERO O=C(c1c[nH]c2ncccc12)C1CC[NH2+]CC1 ZINC000020431141 182647325 /nfs/dbraw/zinc/64/73/25/182647325.db2.gz GIYPQWAGUBIWBL-UHFFFAOYSA-N 1 0 229.283 1.745 10 0 BDAERO O=S(=O)(c1ccc(F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000083313701 182904589 /nfs/dbraw/zinc/90/45/89/182904589.db2.gz IWVNOAIIGCZMRM-QMMMGPOBSA-N 1 0 247.266 1.100 10 0 BDAERO O=[S@@](c1nc2ccccc2[nH]1)[C@H]1CC[NH2+]C1 ZINC000095073020 182965249 /nfs/dbraw/zinc/96/52/49/182965249.db2.gz VGKHKDFEJZQGLE-PWJLMRLQSA-N 1 0 235.312 1.032 10 0 BDAERO O=[S@](Cc1ccccn1)C[C@@H]1CCC[NH2+]1 ZINC000095073568 182967026 /nfs/dbraw/zinc/96/70/26/182967026.db2.gz MJXYHVFAXOJMKV-NHYWBVRUSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](Cc1cccnc1)C[C@@H]1CCC[NH2+]C1 ZINC000095073632 182967429 /nfs/dbraw/zinc/96/74/29/182967429.db2.gz RBOGTFXHDYMKQG-WBMJQRKESA-N 1 0 238.356 1.330 10 0 BDAERO OC1(C[NH2+]C[C@@H]2CCOC2)CCCCC1 ZINC000038094561 183020689 /nfs/dbraw/zinc/02/06/89/183020689.db2.gz NAOUGLOIOFIUMR-NSHDSACASA-N 1 0 213.321 1.308 10 0 BDAERO CC(C)(C)NC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000020256993 166621963 /nfs/dbraw/zinc/62/19/63/166621963.db2.gz ZDUWXXORAFKETG-SNVBAGLBSA-N 1 0 227.352 1.616 10 0 BDAERO O=C1NCC[C@H]1N1CC[C@H](Oc2ccncc2)C1 ZINC000328685592 183025912 /nfs/dbraw/zinc/02/59/12/183025912.db2.gz XPKJAEGMZZRHHY-NWDGAFQWSA-N 1 0 247.298 1.264 10 0 BDAERO OCCCCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107794787 183049461 /nfs/dbraw/zinc/04/94/61/183049461.db2.gz DSTZQWIMRXOCEP-CQSZACIVSA-N 1 0 240.391 1.709 10 0 BDAERO OCC1([NH2+]Cc2ccc[nH]2)CCCCC1 ZINC000053096708 183037749 /nfs/dbraw/zinc/03/77/49/183037749.db2.gz OCNBISJNVUJCJS-UHFFFAOYSA-N 1 0 208.305 1.800 10 0 BDAERO OCC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000059716514 183039245 /nfs/dbraw/zinc/03/92/45/183039245.db2.gz AUGCXCXLTNNARE-UHFFFAOYSA-N 1 0 225.719 1.954 10 0 BDAERO OCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483694 183055279 /nfs/dbraw/zinc/05/52/79/183055279.db2.gz PDFZBEFEVOCQCS-LLVKDONJSA-N 1 0 209.293 1.319 10 0 BDAERO OCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852515 183058218 /nfs/dbraw/zinc/05/82/18/183058218.db2.gz UGTOZWCNOOZOEF-LLVKDONJSA-N 1 0 207.273 1.352 10 0 BDAERO OCCC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037236639 183060479 /nfs/dbraw/zinc/06/04/79/183060479.db2.gz ZHZFERMIGKFPKF-GFCCVEGCSA-N 1 0 223.341 1.947 10 0 BDAERO OCC[C@@H]([NH2+]C1CC1)c1cccc2c1OCCO2 ZINC000095078767 183090510 /nfs/dbraw/zinc/09/05/10/183090510.db2.gz WKJHFPFNMIMEMB-GFCCVEGCSA-N 1 0 249.310 1.633 10 0 BDAERO OCC[C@H]([NH2+]C1CC1)c1cccnc1Cl ZINC000095078770 183097073 /nfs/dbraw/zinc/09/70/73/183097073.db2.gz XSWGLTITCBFDQS-JTQLQIEISA-N 1 0 226.707 1.911 10 0 BDAERO OC[C@@H]1C[C@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000102132640 183131475 /nfs/dbraw/zinc/13/14/75/183131475.db2.gz HJLGUUVMFQJKHJ-MNOVXSKESA-N 1 0 242.322 1.907 10 0 BDAERO CCCCc1nc(Cl)c(C[NH2+]C[C@H](C)O)[nH]1 ZINC000083374658 169026571 /nfs/dbraw/zinc/02/65/71/169026571.db2.gz TYFLEBVZJICPOW-QMMMGPOBSA-N 1 0 245.754 1.876 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000124306255 183147737 /nfs/dbraw/zinc/14/77/37/183147737.db2.gz VQOLUVQMRLPVFU-MWLCHTKSSA-N 1 0 226.345 1.784 10 0 BDAERO OC[C@H]1[NH2+]CCc2ccc(Br)cc21 ZINC000083705905 183156152 /nfs/dbraw/zinc/15/61/52/183156152.db2.gz GMGDYNCOIUJSST-SNVBAGLBSA-N 1 0 242.116 1.628 10 0 BDAERO CCCN(C(=O)NC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000054457084 169043917 /nfs/dbraw/zinc/04/39/17/169043917.db2.gz UIULYXQKORCDMU-LLVKDONJSA-N 1 0 225.336 1.322 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)c1ccc2c(c1)OCCO2 ZINC000033465344 183177206 /nfs/dbraw/zinc/17/72/06/183177206.db2.gz OUNOIEZMABHHCK-NSHDSACASA-N 1 0 235.283 1.243 10 0 BDAERO O[C@@H](c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000032012156 183184607 /nfs/dbraw/zinc/18/46/07/183184607.db2.gz AVPGEEKLECYXEB-PWSUYJOCSA-N 1 0 209.264 1.859 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000040505155 183196731 /nfs/dbraw/zinc/19/67/31/183196731.db2.gz ZHBSPODMTZYOTL-WCBMZHEXSA-N 1 0 212.318 1.536 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@H]1Cc1cccc(Cl)c1 ZINC000071532585 183200015 /nfs/dbraw/zinc/20/00/15/183200015.db2.gz ZZKLJYLFAGJFJF-ZYHUDNBSSA-N 1 0 225.719 1.853 10 0 BDAERO CCC[N@H+](C)CC[C@@H](NC(C)C)C(=O)OCC ZINC000062445298 169077488 /nfs/dbraw/zinc/07/74/88/169077488.db2.gz ZKSSJGRLSQCUJZ-GFCCVEGCSA-N 1 0 244.379 1.648 10 0 BDAERO O[C@@H](c1ccccc1)[C@@H]1CSCC[NH2+]1 ZINC000082374849 183185554 /nfs/dbraw/zinc/18/55/54/183185554.db2.gz SHWXUJIXFGXOOY-QWRGUYRKSA-N 1 0 209.314 1.425 10 0 BDAERO O[C@@H]1COCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000295421722 183207840 /nfs/dbraw/zinc/20/78/40/183207840.db2.gz CLCAQTAQCGITEV-STQMWFEESA-N 1 0 233.311 1.019 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cncs1 ZINC000084223514 183195303 /nfs/dbraw/zinc/19/53/03/183195303.db2.gz QMPFRFYHJQMRCJ-PSASIEDQSA-N 1 0 212.318 1.394 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000129888556 183195756 /nfs/dbraw/zinc/19/57/56/183195756.db2.gz BIYURIIHEUDOCY-UONOGXRCSA-N 1 0 217.312 1.657 10 0 BDAERO O[C@H](CC[NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000049827544 183218895 /nfs/dbraw/zinc/21/88/95/183218895.db2.gz NPASHXWIRBSVQW-UONOGXRCSA-N 1 0 235.327 1.879 10 0 BDAERO O[C@H](C[NH2+]C1CC1)Cc1cccc(Cl)c1 ZINC000071532633 183222979 /nfs/dbraw/zinc/22/29/79/183222979.db2.gz DREDXSIJMYSVBN-LBPRGKRZSA-N 1 0 225.719 1.995 10 0 BDAERO O[C@H](C[NH2+][C@H]1CCN2CCC[C@H]12)c1ccco1 ZINC000103355277 183225009 /nfs/dbraw/zinc/22/50/09/183225009.db2.gz LOOAEPLFIYJNTH-QJPTWQEYSA-N 1 0 236.315 1.139 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000037490748 183231179 /nfs/dbraw/zinc/23/11/79/183231179.db2.gz SJSVKMPIYVXGHR-STQMWFEESA-N 1 0 220.316 1.517 10 0 BDAERO O[C@H](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000041242373 183227743 /nfs/dbraw/zinc/22/77/43/183227743.db2.gz MEDKEXYVIDVXAM-CYBMUJFWSA-N 1 0 223.291 1.729 10 0 BDAERO O[C@H](c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000033465356 183229680 /nfs/dbraw/zinc/22/96/80/183229680.db2.gz XBMLDFPPZMYVLY-GXFFZTMASA-N 1 0 235.283 1.243 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH+]1CCN(CC2CC2)CC1 ZINC000042490928 183231713 /nfs/dbraw/zinc/23/17/13/183231713.db2.gz FFFBRKAGVZNTDP-KBPBESRZSA-N 1 0 238.375 1.318 10 0 BDAERO CCCN([C@@H](C)C(=O)OCC)C1CC[NH2+]CC1 ZINC000043638428 169091298 /nfs/dbraw/zinc/09/12/98/169091298.db2.gz MKCDBKUKTKEKKW-NSHDSACASA-N 1 0 242.363 1.402 10 0 BDAERO CCC[N@H+](CC(=O)NC)[C@@H](C)c1ccc(N)cc1 ZINC000042403614 169096102 /nfs/dbraw/zinc/09/61/02/169096102.db2.gz AWVNVMGCPCFUOQ-NSHDSACASA-N 1 0 249.358 1.788 10 0 BDAERO CCCN(CC(=O)NC)[C@@H](C[NH3+])c1ccccc1 ZINC000042899368 169097000 /nfs/dbraw/zinc/09/70/00/169097000.db2.gz CQIICNGWJMKSEL-ZDUSSCGKSA-N 1 0 249.358 1.144 10 0 BDAERO O[C@H]1C[NH2+]C[C@@H]1N1CCC2(CCCCC2)CC1 ZINC000104252397 183245128 /nfs/dbraw/zinc/24/51/28/183245128.db2.gz SLUGHIBCDOEJAZ-STQMWFEESA-N 1 0 238.375 1.365 10 0 BDAERO O[C@]1(C[NH2+][C@@H]2CCC[C@H]2CCF)CCOC1 ZINC000336676376 183251395 /nfs/dbraw/zinc/25/13/95/183251395.db2.gz LRNCIYCYBUXCMH-TUAOUCFPSA-N 1 0 231.311 1.256 10 0 BDAERO O[C@]1(C[NH2+][C@H]2CCC[C@@H]2CCF)CCOC1 ZINC000336676378 183251567 /nfs/dbraw/zinc/25/15/67/183251567.db2.gz LRNCIYCYBUXCMH-WOPDTQHZSA-N 1 0 231.311 1.256 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cncnc1 ZINC000082991187 183232818 /nfs/dbraw/zinc/23/28/18/183232818.db2.gz CAGDERBYQONEKQ-RYUDHWBXSA-N 1 0 221.304 1.117 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000037490639 183234376 /nfs/dbraw/zinc/23/43/76/183234376.db2.gz ZQCZBBFXWIQEAE-NEPJUHHUSA-N 1 0 206.289 1.475 10 0 BDAERO O[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009877 183236986 /nfs/dbraw/zinc/23/69/86/183236986.db2.gz RHJQDJXBSTYYLS-AVGNSLFASA-N 1 0 233.311 1.493 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000037164881 183237077 /nfs/dbraw/zinc/23/70/77/183237077.db2.gz ZAMFTYUUEJJCKW-RYUDHWBXSA-N 1 0 206.289 1.475 10 0 BDAERO O[C@H]1CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000037871593 183237094 /nfs/dbraw/zinc/23/70/94/183237094.db2.gz MXOZNAKGSNANNT-RYUDHWBXSA-N 1 0 206.289 1.127 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000037689910 183237753 /nfs/dbraw/zinc/23/77/53/183237753.db2.gz CXCUVHCZPOSFHA-MNOVXSKESA-N 1 0 211.330 1.794 10 0 BDAERO CCC[NH+](CCC)Cc1ccc(C(N)=O)cc1N ZINC000037272307 169149561 /nfs/dbraw/zinc/14/95/61/169149561.db2.gz DUYWUZPUNJSKSD-UHFFFAOYSA-N 1 0 249.358 1.990 10 0 BDAERO Oc1ccc2c(c1)O[C@]1(CC[NH2+]C1)CC2 ZINC000036142045 183281563 /nfs/dbraw/zinc/28/15/63/183281563.db2.gz SQUPXPXHINUMFD-LBPRGKRZSA-N 1 0 205.257 1.449 10 0 BDAERO CCCN(CCC[NH3+])CC(=O)NC(CC)CC ZINC000049285399 169156489 /nfs/dbraw/zinc/15/64/89/169156489.db2.gz ZTFRKSITYZAZJP-UHFFFAOYSA-N 1 0 243.395 1.352 10 0 BDAERO CCCN(CCC[NH3+])C(=O)Cc1ccccc1 ZINC000036731210 169156531 /nfs/dbraw/zinc/15/65/31/169156531.db2.gz BZPLMOUPQPULEY-UHFFFAOYSA-N 1 0 234.343 1.817 10 0 BDAERO CCCN(CC[NH3+])C(=O)c1ccc(C)c(F)c1 ZINC000041160556 169157815 /nfs/dbraw/zinc/15/78/15/169157815.db2.gz RSCXVDKBZMFYSH-UHFFFAOYSA-N 1 0 238.306 1.945 10 0 BDAERO CCCN(CC[NH3+])C(=O)c1ccc(F)cc1F ZINC000041160551 169158623 /nfs/dbraw/zinc/15/86/23/169158623.db2.gz KLEQJTXRDRGOMB-UHFFFAOYSA-N 1 0 242.269 1.776 10 0 BDAERO CCCN(CC[NH2+]C)c1cc(C)cc2ncnn21 ZINC000053707413 169159847 /nfs/dbraw/zinc/15/98/47/169159847.db2.gz IORRTZMGHNEMGB-UHFFFAOYSA-N 1 0 247.346 1.474 10 0 BDAERO Oc1cccnc1NC[C@H]1CCC[NH2+]C1 ZINC000095073833 183305205 /nfs/dbraw/zinc/30/52/05/183305205.db2.gz KUHRPBZHVBAIPA-VIFPVBQESA-N 1 0 207.277 1.199 10 0 BDAERO CCCN1C(=O)C[C@@H]([NH2+][C@H](CC)C(C)C)C1=O ZINC000103326071 169184572 /nfs/dbraw/zinc/18/45/72/169184572.db2.gz BRPCQAKMSFYKLB-GHMZBOCLSA-N 1 0 240.347 1.548 10 0 BDAERO c1c2nc([C@H]3CCC[NH2+]3)[nH]c2cc2c1OCCO2 ZINC000034939141 183321410 /nfs/dbraw/zinc/32/14/10/183321410.db2.gz KGIUCCIXLOTHJD-MRVPVSSYSA-N 1 0 245.282 1.759 10 0 BDAERO CCC[NH+]1CCC(Nc2ccncn2)CC1 ZINC000049558052 169190036 /nfs/dbraw/zinc/19/00/36/169190036.db2.gz WNSQALVSJSQBRA-UHFFFAOYSA-N 1 0 220.320 1.763 10 0 BDAERO c1cc(-c2nc([C@H]3CC[NH2+]C3)no2)ccn1 ZINC000169676343 183331052 /nfs/dbraw/zinc/33/10/52/183331052.db2.gz JBDNVXGLNFCPBG-VIFPVBQESA-N 1 0 216.244 1.209 10 0 BDAERO CCCN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000106954227 169202340 /nfs/dbraw/zinc/20/23/40/169202340.db2.gz GBXSBKJZDFWLKS-AWEZNQCLSA-N 1 0 240.391 1.708 10 0 BDAERO CCC[NH+]1CCN(Cc2ccnc(N)c2)CC1 ZINC000052709705 169203217 /nfs/dbraw/zinc/20/32/17/169203217.db2.gz KVDFZMLSPKDYSA-UHFFFAOYSA-N 1 0 234.347 1.191 10 0 BDAERO CCCNC(=O)Cc1ccc(C[NH3+])cc1 ZINC000082473355 169233750 /nfs/dbraw/zinc/23/37/50/169233750.db2.gz UVUBNETYSVMRBC-UHFFFAOYSA-N 1 0 206.289 1.214 10 0 BDAERO CCCNC(=O)C[NH2+]C1Cc2ccccc2C1 ZINC000036780999 169225977 /nfs/dbraw/zinc/22/59/77/169225977.db2.gz IOXBEIGINAFTAE-UHFFFAOYSA-N 1 0 232.327 1.270 10 0 BDAERO c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)on1 ZINC000226201323 183343901 /nfs/dbraw/zinc/34/39/01/183343901.db2.gz LWEUMDUZQDHWLU-LLVKDONJSA-N 1 0 221.304 1.345 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1cccc(C)c1 ZINC000057524355 169232210 /nfs/dbraw/zinc/23/22/10/169232210.db2.gz GOQAPWXJFBJHPX-CYBMUJFWSA-N 1 0 234.343 1.954 10 0 BDAERO c1cc(C[NH2+][C@H]2CN3CCC2CC3)ccn1 ZINC000019946315 183353106 /nfs/dbraw/zinc/35/31/06/183353106.db2.gz TWLXDNVYUJXSHD-ZDUSSCGKSA-N 1 0 217.316 1.265 10 0 BDAERO c1cc(COCC2CC[NH2+]CC2)ccn1 ZINC000051815030 183355161 /nfs/dbraw/zinc/35/51/61/183355161.db2.gz BHIWHBOJOPJEBZ-UHFFFAOYSA-N 1 0 206.289 1.598 10 0 BDAERO c1cc(Cc2noc(C[C@H]3CCC[NH2+]3)n2)ccn1 ZINC000053129703 183356102 /nfs/dbraw/zinc/35/61/02/183356102.db2.gz LFBWBJKZLUTSLZ-LLVKDONJSA-N 1 0 244.298 1.350 10 0 BDAERO c1nc2c(nccc2[C@H]2CC[NH2+]C2)s1 ZINC000074189246 183363482 /nfs/dbraw/zinc/36/34/82/183363482.db2.gz TYZVGPUDNJVPQD-ZETCQYMHSA-N 1 0 205.286 1.768 10 0 BDAERO c1cc2nc(CC[C@@H]3CCC[NH2+]C3)nc-2c[nH]1 ZINC000071166725 183364011 /nfs/dbraw/zinc/36/40/11/183364011.db2.gz MNFAFSZABFBRPX-JTQLQIEISA-N 1 0 230.315 1.890 10 0 BDAERO CCC[NH2+]CC(=O)Cc1ccccc1OC ZINC000077008964 169255515 /nfs/dbraw/zinc/25/55/15/169255515.db2.gz GMXUKEMKSAHAJX-UHFFFAOYSA-N 1 0 221.300 1.806 10 0 BDAERO CCC[NH2+]CC(=O)Nc1ccccc1F ZINC000020056570 169255743 /nfs/dbraw/zinc/25/57/43/169255743.db2.gz AFXZWWYPNQRTDQ-UHFFFAOYSA-N 1 0 210.252 1.764 10 0 BDAERO CCC[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000044647036 169256241 /nfs/dbraw/zinc/25/62/41/169256241.db2.gz OVJHROGQIAGCMF-WDEREUQCSA-N 1 0 212.337 1.681 10 0 BDAERO CCC[NH2+]CCCCOC[C@@H]1CCOC1 ZINC000052703842 169257338 /nfs/dbraw/zinc/25/73/38/169257338.db2.gz GYVQMIYCCGBPSC-LBPRGKRZSA-N 1 0 215.337 1.819 10 0 BDAERO c1cc(CC[NH2+]C2COC2)cc2c1OCC2 ZINC000087195455 183368192 /nfs/dbraw/zinc/36/81/92/183368192.db2.gz IQWUFPCHGSXSRX-UHFFFAOYSA-N 1 0 219.284 1.152 10 0 BDAERO c1cc2c(cc1NCC1CC[NH2+]CC1)OCCO2 ZINC000041301110 183368979 /nfs/dbraw/zinc/36/89/79/183368979.db2.gz DLCLKLWBVKZBQG-UHFFFAOYSA-N 1 0 248.326 1.869 10 0 BDAERO c1cc2c(cc1NC[C@@H]1CCC[NH2+]1)OCCO2 ZINC000041262985 183369103 /nfs/dbraw/zinc/36/91/03/183369103.db2.gz LLVREZCOWZLUND-NSHDSACASA-N 1 0 234.299 1.622 10 0 BDAERO c1cc2c(cc1S[C@H]1CC[NH2+]C1)OCCO2 ZINC000071548029 183370057 /nfs/dbraw/zinc/37/00/57/183370057.db2.gz SWEJYGGNTRXBOB-JTQLQIEISA-N 1 0 237.324 1.912 10 0 BDAERO CCC[NH2+]CCc1ccc(OC)c(O)c1 ZINC000082954798 169261647 /nfs/dbraw/zinc/26/16/47/169261647.db2.gz MEAJUIQHGONOJL-UHFFFAOYSA-N 1 0 209.289 1.943 10 0 BDAERO CCCNC(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000034653678 169234470 /nfs/dbraw/zinc/23/44/70/169234470.db2.gz LNCWQIYGGZYMTG-UHFFFAOYSA-N 1 0 221.304 1.701 10 0 BDAERO c1cc([C@@H]2CSCC[NH2+]2)cc2c1OCO2 ZINC000041242574 183371375 /nfs/dbraw/zinc/37/13/75/183371375.db2.gz ARUJCSBYYHQGPN-VIFPVBQESA-N 1 0 223.297 1.793 10 0 BDAERO c1cc([C@@H]2COCC[NH2+]2)cc2c1OCC2 ZINC000082929990 183372003 /nfs/dbraw/zinc/37/20/03/183372003.db2.gz IZXGILAWHXJMPK-NSHDSACASA-N 1 0 205.257 1.282 10 0 BDAERO CCCNC(=O)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000035691099 169238180 /nfs/dbraw/zinc/23/81/80/169238180.db2.gz HQNWHLVDEHXTQW-ZJUUUORDSA-N 1 0 213.325 1.226 10 0 BDAERO c1ccc(-c2n[nH]c(CC[NH2+]C3CC3)n2)cc1 ZINC000042013571 183382454 /nfs/dbraw/zinc/38/24/54/183382454.db2.gz VAHZNTXICXUUQU-UHFFFAOYSA-N 1 0 228.299 1.766 10 0 BDAERO CCC[NH2+][C@@]1(CO)CCc2ccccc2C1 ZINC000038123509 169283969 /nfs/dbraw/zinc/28/39/69/169283969.db2.gz WRQKMXVGOPIUOV-AWEZNQCLSA-N 1 0 219.328 1.906 10 0 BDAERO CCCN[C@@](C)(C(N)=O)c1c(F)cccc1F ZINC000037513846 169284394 /nfs/dbraw/zinc/28/43/94/169284394.db2.gz YIRXQEUOAHSVEY-GFCCVEGCSA-N 1 0 242.269 1.665 10 0 BDAERO CCC[NH2+][C@H](CC[N@H+](CCC)C1CC1)C(=O)[O-] ZINC000062447348 169289167 /nfs/dbraw/zinc/28/91/67/169289167.db2.gz NJCHPHCHCNCFCP-GFCCVEGCSA-N 1 0 242.363 1.704 10 0 BDAERO CCCN[C@H](CC[N@H+](C)C1CC1)C(=O)OCC ZINC000062445647 169289350 /nfs/dbraw/zinc/28/93/50/169289350.db2.gz SMMMVQOHZPULFV-GFCCVEGCSA-N 1 0 242.363 1.402 10 0 BDAERO CCC[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944754 169269906 /nfs/dbraw/zinc/26/99/06/169269906.db2.gz CRIDCTFANDVRPL-UHFFFAOYSA-N 1 0 230.315 1.982 10 0 BDAERO CCC[NH2+][C@@H]1CCN(CCc2cccnc2)C1=O ZINC000049648831 169282495 /nfs/dbraw/zinc/28/24/95/169282495.db2.gz DFROEIOJAYWYOS-CYBMUJFWSA-N 1 0 247.342 1.225 10 0 BDAERO CCCOCCO[C@@H]1CCCC[C@@H]1[NH3+] ZINC000082528487 169309651 /nfs/dbraw/zinc/30/96/51/169309651.db2.gz ZPQMOXQWCGYACI-WDEREUQCSA-N 1 0 201.310 1.700 10 0 BDAERO CCCOCCOc1nc(C)cc(C)c1C[NH3+] ZINC000104249979 169309997 /nfs/dbraw/zinc/30/99/97/169309997.db2.gz QIBYIJIGKBQLJP-UHFFFAOYSA-N 1 0 238.331 1.963 10 0 BDAERO CCCOCc1nc(C)cc(C[C@@H]([NH3+])CC)n1 ZINC000054835679 169311344 /nfs/dbraw/zinc/31/13/44/169311344.db2.gz RAHOBFGCJCYULC-NSHDSACASA-N 1 0 237.347 1.991 10 0 BDAERO CCC[NH2+][C@H]1CCC[C@@H]1N1CCCOCC1 ZINC000061918072 169290926 /nfs/dbraw/zinc/29/09/26/169290926.db2.gz HABKTABWWIIDAM-STQMWFEESA-N 1 0 226.364 1.629 10 0 BDAERO CCC[NH2+][C@H]1CCN(c2cnn(CC)c2)C1=O ZINC000049648212 169292069 /nfs/dbraw/zinc/29/20/69/169292069.db2.gz SIMQESYMBGXRLX-NSHDSACASA-N 1 0 236.319 1.008 10 0 BDAERO CCC[NH2+][C@@H]1Cc2cnn3cccc(c23)C1 ZINC000029247953 169292495 /nfs/dbraw/zinc/29/24/95/169292495.db2.gz VYXFGMDFSNPGEX-LBPRGKRZSA-N 1 0 215.300 1.801 10 0 BDAERO CCCNc1c2n[nH]cc2ncc1C[NH3+] ZINC000082058286 169293392 /nfs/dbraw/zinc/29/33/92/169293392.db2.gz QNIUYYDTBMKOFM-UHFFFAOYSA-N 1 0 205.265 1.239 10 0 BDAERO CCC[NH2+][C@](C)(C(N)=O)c1ccc(F)c(F)c1 ZINC000037513811 169293721 /nfs/dbraw/zinc/29/37/21/169293721.db2.gz GUAZYJRHVOXOSB-LBPRGKRZSA-N 1 0 242.269 1.665 10 0 BDAERO CCCOc1ccc(C[NH2+]CCO)cc1OC ZINC000020930960 169318384 /nfs/dbraw/zinc/31/83/84/169318384.db2.gz WQDTZVHDGRKZRE-UHFFFAOYSA-N 1 0 239.315 1.566 10 0 BDAERO CCCOc1ccc(OC[C@@H](O)C[NH3+])cc1 ZINC000034957291 169320740 /nfs/dbraw/zinc/32/07/40/169320740.db2.gz VGONYGOUUQLEOY-JTQLQIEISA-N 1 0 225.288 1.174 10 0 BDAERO CCCS(=O)(=O)C[C@H]([NH3+])C(C)(C)C ZINC000075417438 169329542 /nfs/dbraw/zinc/32/95/42/169329542.db2.gz LTGNFRYOPKQMFU-QMMMGPOBSA-N 1 0 207.339 1.185 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)COC ZINC000034938801 169368851 /nfs/dbraw/zinc/36/88/51/169368851.db2.gz BMAAABZZMAYNDY-VWYCJHECSA-N 1 0 230.352 1.304 10 0 BDAERO CCC[C@@H](C(=O)N[C@H](C)c1ccccn1)[NH+](C)C ZINC000135339904 169345444 /nfs/dbraw/zinc/34/54/44/169345444.db2.gz ZKJQEAMJDKLHPY-YPMHNXCESA-N 1 0 249.358 1.989 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1ccc(O)c(F)c1 ZINC000083368090 169390143 /nfs/dbraw/zinc/39/01/43/169390143.db2.gz PTMUGNAUKZDHIR-SNVBAGLBSA-N 1 0 240.278 1.275 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccccc1 ZINC000062189016 169390247 /nfs/dbraw/zinc/39/02/47/169390247.db2.gz ACYFXZGJTFYXPM-DGCLKSJQSA-N 1 0 234.343 1.861 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(-c2cn[nH]c2)n1 ZINC000062779879 169394390 /nfs/dbraw/zinc/39/43/90/169394390.db2.gz CCQIGWJRWWJZDY-SSDOTTSWSA-N 1 0 207.237 1.260 10 0 BDAERO CCC[C@@H]([NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC000036949902 169393866 /nfs/dbraw/zinc/39/38/66/169393866.db2.gz BFWJCFDPOBAOJL-SECBINFHSA-N 1 0 220.272 1.817 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCF ZINC000180844221 134331791 /nfs/dbraw/zinc/33/17/91/134331791.db2.gz FJWMIMJQAGWVAT-NWDGAFQWSA-N 1 0 214.328 1.905 10 0 BDAERO c1nnc(SC[C@@H]2CC[NH2+]C2)s1 ZINC000051890892 183552328 /nfs/dbraw/zinc/55/23/28/183552328.db2.gz JAZWGFJVQZKYDU-ZCFIWIBFSA-N 1 0 201.320 1.240 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCN(CCOC)C1 ZINC000310022069 169441828 /nfs/dbraw/zinc/44/18/28/169441828.db2.gz NWCGLVUGZRVFNI-FRRDWIJNSA-N 1 0 226.364 1.485 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1COc2ccccc21 ZINC000070530629 169502763 /nfs/dbraw/zinc/50/27/63/169502763.db2.gz SYKNHTTZIVRKBG-WDEREUQCSA-N 1 0 234.299 1.364 10 0 BDAERO CCC[C@H](CC[NH3+])C(=O)NC1CCCC1 ZINC000076585478 169497853 /nfs/dbraw/zinc/49/78/53/169497853.db2.gz HKJDDGLZRUTBCD-SNVBAGLBSA-N 1 0 212.337 1.810 10 0 BDAERO CC[C@@H](C)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261536351 535457881 /nfs/dbraw/zinc/45/78/81/535457881.db2.gz RILXVXQBSNQLSU-ZJUUUORDSA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[NH2+]C[C@@H]21 ZINC000057219111 166667701 /nfs/dbraw/zinc/66/77/01/166667701.db2.gz ZEPBJFKMOKRPMT-KXUCPTDWSA-N 1 0 226.320 1.509 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1C(F)F ZINC000328579525 166674092 /nfs/dbraw/zinc/67/40/92/166674092.db2.gz NELXAXGZHDIZMC-RQJHMYQMSA-N 1 0 221.247 1.429 10 0 BDAERO CCCc1nc(COC)c(C[NH3+])s1 ZINC000082445272 169590789 /nfs/dbraw/zinc/59/07/89/169590789.db2.gz PDKIKAALGJZAPQ-UHFFFAOYSA-N 1 0 200.307 1.701 10 0 BDAERO CCN(C(=O)NC(C)(C)C)C1CC[NH2+]CC1 ZINC000037469462 169641615 /nfs/dbraw/zinc/64/16/15/169641615.db2.gz IHEMLVOYXQYCNB-UHFFFAOYSA-N 1 0 227.352 1.568 10 0 BDAERO C[C@@H]([NH2+][C@@H]1C[C@H]1C)C1CCS(=O)(=O)CC1 ZINC000250096814 259639201 /nfs/dbraw/zinc/63/92/01/259639201.db2.gz QWPJDUJUTZUZQE-FXPVBKGRSA-N 1 0 231.361 1.198 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])CSc1ncccn1 ZINC000087541457 383850217 /nfs/dbraw/zinc/85/02/17/383850217.db2.gz SFKLTUQISSYCQY-RKDXNWHRSA-N 1 0 211.334 1.942 10 0 BDAERO c1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CCOC1 ZINC000070068766 383859225 /nfs/dbraw/zinc/85/92/25/383859225.db2.gz WVGVSMMNJQMJBB-ONGXEEELSA-N 1 0 205.257 1.499 10 0 BDAERO C[NH+](C)CCOc1cnc(Br)cn1 ZINC000035635804 383866422 /nfs/dbraw/zinc/86/64/22/383866422.db2.gz LFQBTTPOSIUZPM-UHFFFAOYSA-N 1 0 246.108 1.180 10 0 BDAERO [NH3+]C[C@H](CO)c1cccc(Br)c1 ZINC000071534506 383874008 /nfs/dbraw/zinc/87/40/08/383874008.db2.gz HVDURYQJOJOLLH-MRVPVSSYSA-N 1 0 230.105 1.484 10 0 BDAERO C[C@]([NH3+])(CO)c1ccccc1Br ZINC000038124541 383979465 /nfs/dbraw/zinc/97/94/65/383979465.db2.gz HYMVIYDMZAFEPS-VIFPVBQESA-N 1 0 230.105 1.615 10 0 BDAERO CCc1ccc(C(=O)CN2CC[C@@H]([NH3+])C2)cc1 ZINC000050242516 383985087 /nfs/dbraw/zinc/98/50/87/383985087.db2.gz XRXQUTJKHZYQAJ-CYBMUJFWSA-N 1 0 232.327 1.465 10 0 BDAERO NCc1nc(C2([NH3+])CCCCCC2)no1 ZINC000068577220 383998748 /nfs/dbraw/zinc/99/87/48/383998748.db2.gz MNZRAVQPHGIDBI-UHFFFAOYSA-N 1 0 210.281 1.037 10 0 BDAERO CCN([C@H]1CCCC1=O)C1CC[NH2+]CC1 ZINC000050157749 383944594 /nfs/dbraw/zinc/94/45/94/383944594.db2.gz BGOUGMPNVDVGTO-NSHDSACASA-N 1 0 210.321 1.182 10 0 BDAERO [NH3+]CCc1cc(Br)cc2c[nH]nc21 ZINC000089197166 383944886 /nfs/dbraw/zinc/94/48/86/383944886.db2.gz RPVRHQVAVGGZKS-UHFFFAOYSA-N 1 0 240.104 1.827 10 0 BDAERO NC(=O)c1c2c(c[nH+]c1N1CCCCC1)CCN2 ZINC000089212449 383948782 /nfs/dbraw/zinc/94/87/82/383948782.db2.gz SFVFCADOOCBBGK-UHFFFAOYSA-N 1 0 246.314 1.139 10 0 BDAERO Cc1cncc(N2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000089212887 383950268 /nfs/dbraw/zinc/95/02/68/383950268.db2.gz WDCXMVFVTSAPPE-SNVBAGLBSA-N 1 0 220.320 1.349 10 0 BDAERO [NH3+]C[C@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000089223886 383951961 /nfs/dbraw/zinc/95/19/61/383951961.db2.gz RHCUYMJXJPFWAA-SECBINFHSA-N 1 0 231.303 1.133 10 0 BDAERO Cc1ccc([C@@H]([NH3+])[C@@H]2COCCO2)s1 ZINC000055298796 383967629 /nfs/dbraw/zinc/96/76/29/383967629.db2.gz POOIGDLVBFMTNJ-WPRPVWTQSA-N 1 0 213.302 1.472 10 0 BDAERO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643614709 384016950 /nfs/dbraw/zinc/01/69/50/384016950.db2.gz ILUBFQZFVDXJFL-UTUOFQBUSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)c(C)c1 ZINC000643614814 384017704 /nfs/dbraw/zinc/01/77/04/384017704.db2.gz MLJFXBOHZUQRPV-GFCCVEGCSA-N 1 0 248.326 1.478 10 0 BDAERO CCc1cccc(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000643616381 384005720 /nfs/dbraw/zinc/00/57/20/384005720.db2.gz SWHDQCJZIIJGGQ-LBPRGKRZSA-N 1 0 248.326 1.424 10 0 BDAERO CC(C)CC[C@H](C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643616561 384010669 /nfs/dbraw/zinc/01/06/69/384010669.db2.gz ZGSZLWCVPGWRLU-RYUDHWBXSA-N 1 0 242.363 1.163 10 0 BDAERO C[C@H](C[NH2+]CCn1cncn1)c1ccccc1 ZINC000278622236 384050805 /nfs/dbraw/zinc/05/08/05/384050805.db2.gz FWAFEUCWCDDOJY-GFCCVEGCSA-N 1 0 230.315 1.671 10 0 BDAERO Cc1ccsc1[C@H](C)[NH2+]CC(=O)N(C)C ZINC000069636231 384054078 /nfs/dbraw/zinc/05/40/78/384054078.db2.gz UWVOUGQWCXMDDX-VIFPVBQESA-N 1 0 226.345 1.795 10 0 BDAERO CO[C@@H](C)c1nsc(NC2CC[NH2+]CC2)n1 ZINC000304249438 384099058 /nfs/dbraw/zinc/09/90/58/384099058.db2.gz GSOQUULFHLZWRI-ZETCQYMHSA-N 1 0 242.348 1.409 10 0 BDAERO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1[C@H](C)[NH3+] ZINC000072415715 384103401 /nfs/dbraw/zinc/10/34/01/384103401.db2.gz JCIBAGKWYBRFFH-VIFPVBQESA-N 1 0 245.330 1.916 10 0 BDAERO Cc1csc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000293785746 384106751 /nfs/dbraw/zinc/10/67/51/384106751.db2.gz WKKGMIBYBRVHJV-JTQLQIEISA-N 1 0 238.356 1.833 10 0 BDAERO CC1([NH2+]CCN2CCOCC2)CCCC1 ZINC000042187417 168063313 /nfs/dbraw/zinc/06/33/13/168063313.db2.gz IZHDPOVUGDOUTM-UHFFFAOYSA-N 1 0 212.337 1.241 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](C/C=C/Cl)C2)cn1 ZINC000116408025 384133708 /nfs/dbraw/zinc/13/37/08/384133708.db2.gz GLDTVIIBEYGXPI-YWNRKNDBSA-N 1 0 225.723 1.962 10 0 BDAERO C(C1CCSCC1)N1CC[NH2+]CC1 ZINC000098099855 384126259 /nfs/dbraw/zinc/12/62/59/384126259.db2.gz WTFITOHQUQECLR-UHFFFAOYSA-N 1 0 200.351 1.035 10 0 BDAERO Cn1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cn1 ZINC000116311602 384127673 /nfs/dbraw/zinc/12/76/73/384127673.db2.gz SZEIFZNHMWAHHY-GFCCVEGCSA-N 1 0 245.330 1.143 10 0 BDAERO [NH3+]CC[S@](=O)c1ccc(F)cc1F ZINC000040954862 384170495 /nfs/dbraw/zinc/17/04/95/384170495.db2.gz NNVOZNQLGZHCAI-CYBMUJFWSA-N 1 0 205.229 1.031 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CO1 ZINC000401877193 384187687 /nfs/dbraw/zinc/18/76/87/384187687.db2.gz FXDBNZYCRLKZQH-WISYIIOYSA-N 1 0 213.321 1.305 10 0 BDAERO CCC(CC)CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643629284 384192343 /nfs/dbraw/zinc/19/23/43/384192343.db2.gz YSTJFKPCXLDKHW-ZDUSSCGKSA-N 1 0 242.363 1.307 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000227907366 134398304 /nfs/dbraw/zinc/39/83/04/134398304.db2.gz JZSLHBBGCFILGA-XQQFMLRXSA-N 1 0 229.364 1.752 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)Cc1ccoc1 ZINC000227905933 134398312 /nfs/dbraw/zinc/39/83/12/134398312.db2.gz VGBLIHNKBFLGKP-CYBMUJFWSA-N 1 0 241.331 1.889 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1cccs1)n1ccnc1 ZINC000043106999 384199157 /nfs/dbraw/zinc/19/91/57/384199157.db2.gz JKCXSVVELOGKFU-PSASIEDQSA-N 1 0 207.302 1.881 10 0 BDAERO [NH3+][C@H](CO)c1ccc(C(F)(F)F)c(F)c1 ZINC000072198451 384200121 /nfs/dbraw/zinc/20/01/21/384200121.db2.gz RHPCYPZQMMYPPR-MRVPVSSYSA-N 1 0 223.169 1.837 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCc3cnccn3)C[C@@H]2C1 ZINC000402901935 384239369 /nfs/dbraw/zinc/23/93/69/384239369.db2.gz HYTTZMONXCZUGE-SGMGOOAPSA-N 1 0 247.342 1.112 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@@H](C)COC)CCN1CCOC ZINC000173680464 384250739 /nfs/dbraw/zinc/25/07/39/384250739.db2.gz LMBIMUPJMXFZHT-QWHCGFSZSA-N 1 0 244.379 1.064 10 0 BDAERO Cc1c(C[NH2+]CCc2ccncc2)cnn1C ZINC000093650001 384258495 /nfs/dbraw/zinc/25/84/95/384258495.db2.gz YGNGQPAXBMBRMZ-UHFFFAOYSA-N 1 0 230.315 1.456 10 0 BDAERO Cc1nc(F)ccc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000278871716 384269916 /nfs/dbraw/zinc/26/99/16/384269916.db2.gz YQZDMTXSJCKEGV-KOLCDFICSA-N 1 0 224.279 1.796 10 0 BDAERO COc1ccc(CN2C[C@@H]3C([NH3+])[C@@H]3C2)cc1 ZINC000074082569 384274518 /nfs/dbraw/zinc/27/45/18/384274518.db2.gz SGOHAKLJRYWYME-FUNVUKJBSA-N 1 0 218.300 1.084 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H](c2ccc(OC)cc2)C1 ZINC000044135826 384316248 /nfs/dbraw/zinc/31/62/48/384316248.db2.gz XGBHVYZXKNJOOZ-VXGBXAGGSA-N 1 0 249.310 1.561 10 0 BDAERO Cc1cnn(C)c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000352760243 384317703 /nfs/dbraw/zinc/31/77/03/384317703.db2.gz APGCCEJQESKYEV-AAEUAGOBSA-N 1 0 237.347 1.369 10 0 BDAERO CCN(CC(C)C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643644150 384280845 /nfs/dbraw/zinc/28/08/45/384280845.db2.gz ITZILUYYCQRMSW-ZDUSSCGKSA-N 1 0 242.363 1.260 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1(O)CCC1 ZINC000335477054 384294872 /nfs/dbraw/zinc/29/48/72/384294872.db2.gz TURWUPNEMNTDAC-QWHCGFSZSA-N 1 0 238.375 1.460 10 0 BDAERO Cc1ccsc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282502187 384300791 /nfs/dbraw/zinc/30/07/91/384300791.db2.gz WSSXIWHRJSPSHD-ZJUUUORDSA-N 1 0 238.356 1.813 10 0 BDAERO Cc1c(C[NH2+]CCCCCCO)cnn1C ZINC000133613804 384303457 /nfs/dbraw/zinc/30/34/57/384303457.db2.gz KNTFXHUPYAJJKV-UHFFFAOYSA-N 1 0 225.336 1.371 10 0 BDAERO CN(c1nc2ccccc2[nH]1)[C@H]1CCC[NH2+]C1 ZINC000095070569 384336483 /nfs/dbraw/zinc/33/64/83/384336483.db2.gz QZGFRQOVVKZGOV-JTQLQIEISA-N 1 0 230.315 1.751 10 0 BDAERO Clc1nccc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000095070325 384336875 /nfs/dbraw/zinc/33/68/75/384336875.db2.gz FHSQMNRYDVAQFJ-ZETCQYMHSA-N 1 0 212.684 1.294 10 0 BDAERO Clc1nccc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000095070338 384336948 /nfs/dbraw/zinc/33/69/48/384336948.db2.gz BWLYBOZXNWJSAG-QMMMGPOBSA-N 1 0 227.695 1.508 10 0 BDAERO Clc1ccc(COC[C@@H]2CC[NH2+]C2)nn1 ZINC000095070499 384337011 /nfs/dbraw/zinc/33/70/11/384337011.db2.gz XCPOTRWQPFORBI-MRVPVSSYSA-N 1 0 227.695 1.256 10 0 BDAERO Clc1nccnc1CO[C@@H]1CCC[NH2+]C1 ZINC000095070378 384337043 /nfs/dbraw/zinc/33/70/43/384337043.db2.gz LTECOYFBRKVLBO-MRVPVSSYSA-N 1 0 227.695 1.399 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)c1ccc(Cl)nn1 ZINC000095071193 384338724 /nfs/dbraw/zinc/33/87/24/384338724.db2.gz DGVGWTQSRVKTRZ-QMMMGPOBSA-N 1 0 226.711 1.176 10 0 BDAERO Cc1cc(C)nc(N(C)C[C@@H]2CCC[NH2+]2)n1 ZINC000095070916 384339079 /nfs/dbraw/zinc/33/90/79/384339079.db2.gz DQGXJMPHKNGSIZ-NSHDSACASA-N 1 0 220.320 1.282 10 0 BDAERO CN(Cc1nccnc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000095070738 384339501 /nfs/dbraw/zinc/33/95/01/384339501.db2.gz CTXGXYUXVTYQKO-SECBINFHSA-N 1 0 240.738 1.314 10 0 BDAERO C[NH2+]C1CCN(c2nccc(Cl)n2)CC1 ZINC000095071531 384340859 /nfs/dbraw/zinc/34/08/59/384340859.db2.gz MUCAJVBZFTXOKF-UHFFFAOYSA-N 1 0 226.711 1.318 10 0 BDAERO [NH3+][C@H]1CCN(c2cccc(Br)n2)C1 ZINC000095072142 384341244 /nfs/dbraw/zinc/34/12/44/384341244.db2.gz DSQUERSHYXQQEG-ZETCQYMHSA-N 1 0 242.120 1.382 10 0 BDAERO CSc1nccnc1CO[C@H]1CCC[NH2+]C1 ZINC000095071943 384341329 /nfs/dbraw/zinc/34/13/29/384341329.db2.gz HXTOPBUZCLYATF-VIFPVBQESA-N 1 0 239.344 1.467 10 0 BDAERO CNc1nc2ccccc2nc1N1CC[NH2+]CC1 ZINC000095071377 384341462 /nfs/dbraw/zinc/34/14/62/384341462.db2.gz NCRISQNHLFVWSX-UHFFFAOYSA-N 1 0 243.314 1.081 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nccc(Cl)n1 ZINC000095072220 384342785 /nfs/dbraw/zinc/34/27/85/384342785.db2.gz BIOZUNIZLPQNOU-YUMQZZPRSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@@H]1CCCN(Cc2nccnc2Cl)C1 ZINC000095072378 384342809 /nfs/dbraw/zinc/34/28/09/384342809.db2.gz PAXJIAHSAKALDO-MRVPVSSYSA-N 1 0 226.711 1.053 10 0 BDAERO [NH3+][C@@H]1CCCN(c2ccnc(Cl)n2)C1 ZINC000095072316 384342921 /nfs/dbraw/zinc/34/29/21/384342921.db2.gz FYFHWUPQHZUGJX-SSDOTTSWSA-N 1 0 212.684 1.058 10 0 BDAERO [NH3+]C[C@H]1CCCCN1CC(=O)c1cccs1 ZINC000095072439 384342997 /nfs/dbraw/zinc/34/29/97/384342997.db2.gz AJNQUUZBHXYFIF-SNVBAGLBSA-N 1 0 238.356 1.744 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCC(=O)c1ccc[nH]1 ZINC000095072254 384343155 /nfs/dbraw/zinc/34/31/55/384343155.db2.gz ACAJSXNPYXYJEC-ZJUUUORDSA-N 1 0 221.304 1.057 10 0 BDAERO Nc1nc2ccccc2nc1O[C@H]1CCC[NH2+]C1 ZINC000095072181 384343233 /nfs/dbraw/zinc/34/32/33/384343233.db2.gz FSJMSRISDIGUQB-VIFPVBQESA-N 1 0 244.298 1.343 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1nccc(Cl)n1 ZINC000095072416 384343449 /nfs/dbraw/zinc/34/34/49/384343449.db2.gz TVYLRWHVYXMLHB-QMMMGPOBSA-N 1 0 226.711 1.448 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1Nc1nccc(Cl)n1 ZINC000095072221 384343473 /nfs/dbraw/zinc/34/34/73/384343473.db2.gz BIOZUNIZLPQNOU-HTQZYQBOSA-N 1 0 226.711 1.812 10 0 BDAERO O=C(COCC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095072917 384345980 /nfs/dbraw/zinc/34/59/80/384345980.db2.gz LGOOPYOMPJXPSO-LBPRGKRZSA-N 1 0 248.326 1.813 10 0 BDAERO O=[S@](Cc1ccncc1)C[C@H]1CCCC[NH2+]1 ZINC000095073518 384347972 /nfs/dbraw/zinc/34/79/72/384347972.db2.gz AWIJXBQBGOELJV-WBMJQRKESA-N 1 0 238.356 1.472 10 0 BDAERO O=[S@@](Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC000095073441 384348318 /nfs/dbraw/zinc/34/83/18/384348318.db2.gz RDKISHKNSBAKSH-XHDPSFHLSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](Cc1cncs1)C[C@@H]1CCC[NH2+]C1 ZINC000095073640 384348904 /nfs/dbraw/zinc/34/89/04/384348904.db2.gz RTBHKRMSHBDZGZ-RFAUZJTJSA-N 1 0 244.385 1.391 10 0 BDAERO COC(=O)C[C@H](O)C1C[NH+](Cc2ccccc2)C1 ZINC000095076226 384352501 /nfs/dbraw/zinc/35/25/01/384352501.db2.gz SSWPIEBNYAZAGH-ZDUSSCGKSA-N 1 0 249.310 1.042 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccncc1 ZINC000134401380 384355745 /nfs/dbraw/zinc/35/57/45/384355745.db2.gz NPFKNXREPUVZFU-CKYFFXLPSA-N 1 0 206.289 1.910 10 0 BDAERO CC(C)(C)OC(=O)Nc1cncnc1C[NH3+] ZINC000095087061 384360258 /nfs/dbraw/zinc/36/02/58/384360258.db2.gz XKLKFTYLOCIKML-UHFFFAOYSA-N 1 0 224.264 1.282 10 0 BDAERO Cc1ccnc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000335598865 384364055 /nfs/dbraw/zinc/36/40/55/384364055.db2.gz YJMHFGGLRVAIIC-WDEREUQCSA-N 1 0 233.315 1.717 10 0 BDAERO c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CCSC1)CC2 ZINC000308829966 384328627 /nfs/dbraw/zinc/32/86/27/384328627.db2.gz ADJQVXZANAYDDZ-RKDXNWHRSA-N 1 0 223.345 1.362 10 0 BDAERO O=C1CCC([N@@H+]2CCCSCC2)CC1 ZINC000157223628 384328844 /nfs/dbraw/zinc/32/88/44/384328844.db2.gz XASMUAWHHUDZCA-UHFFFAOYSA-N 1 0 213.346 1.937 10 0 BDAERO Cc1ccnc([S@](=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000095069210 384331710 /nfs/dbraw/zinc/33/17/10/384331710.db2.gz ZLNHEVXQVVSRJS-BMIGLBTASA-N 1 0 224.329 1.250 10 0 BDAERO Cc1ccc([S@@](=O)C[C@H]2CC[NH2+]C2)nc1 ZINC000095069066 384333082 /nfs/dbraw/zinc/33/30/82/384333082.db2.gz RBPYRHRFLGZJRA-ZUZCIYMTSA-N 1 0 224.329 1.107 10 0 BDAERO Clc1ccc(S[C@H]2CCC[NH2+]C2)nn1 ZINC000095069979 384334069 /nfs/dbraw/zinc/33/40/69/384334069.db2.gz DZRGLICCLOBJCI-ZETCQYMHSA-N 1 0 229.736 1.974 10 0 BDAERO O=[S@@](Cc1ccc(Cl)nc1)[C@H]1CC[NH2+]C1 ZINC000095069889 384334105 /nfs/dbraw/zinc/33/41/05/384334105.db2.gz YFAXUISGTPIHMD-BJOHPYRUSA-N 1 0 244.747 1.346 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOC(C)C ZINC000175350151 384424425 /nfs/dbraw/zinc/42/44/25/384424425.db2.gz LRJDGQYAOISOQB-CYBMUJFWSA-N 1 0 228.380 1.828 10 0 BDAERO COC(=O)[C@H](c1ccc(O)cc1)[C@H]1CCCC[NH2+]1 ZINC000028227802 384379643 /nfs/dbraw/zinc/37/96/43/384379643.db2.gz XVXFNANJMMTNSO-CHWSQXEVSA-N 1 0 249.310 1.791 10 0 BDAERO Cc1cc[nH+]c(NC[C@@H]2CCC[C@@H]2O)c1 ZINC000084233684 384382948 /nfs/dbraw/zinc/38/29/48/384382948.db2.gz PIESFWYXROXAOU-QWRGUYRKSA-N 1 0 206.289 1.963 10 0 BDAERO FC1(F)CCCC[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000335662168 384466589 /nfs/dbraw/zinc/46/65/89/384466589.db2.gz ITTWREWQLMOMAF-UWVGGRQHSA-N 1 0 218.291 1.763 10 0 BDAERO FC1(F)CCCC[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000335662167 384468478 /nfs/dbraw/zinc/46/84/78/384468478.db2.gz ITTWREWQLMOMAF-NXEZZACHSA-N 1 0 218.291 1.763 10 0 BDAERO Cc1ccnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000122615929 384496761 /nfs/dbraw/zinc/49/67/61/384496761.db2.gz ONIOMVUAOANVGI-GFCCVEGCSA-N 1 0 232.331 1.460 10 0 BDAERO C[C@H](CC[NH3+])Nc1nc2ccccc2[nH]1 ZINC000308953025 384487358 /nfs/dbraw/zinc/48/73/58/384487358.db2.gz YGFIPWNIOOUAEX-MRVPVSSYSA-N 1 0 204.277 1.712 10 0 BDAERO Cn1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000085604744 384542123 /nfs/dbraw/zinc/54/21/23/384542123.db2.gz WVTYQSRTLAUUAM-VXGBXAGGSA-N 1 0 208.305 1.276 10 0 BDAERO CC(C)[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236632331 384542484 /nfs/dbraw/zinc/54/24/84/384542484.db2.gz NEPWSPVRCVCOQZ-IJLUTSLNSA-N 1 0 226.364 1.912 10 0 BDAERO Cc1cc(C)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000184002515 384550501 /nfs/dbraw/zinc/55/05/01/384550501.db2.gz WRMSUYTZJKNMBZ-KGLIPLIRSA-N 1 0 235.327 1.231 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000085579469 384540000 /nfs/dbraw/zinc/54/00/00/384540000.db2.gz XDHWPBRQKZCZCQ-LBPRGKRZSA-N 1 0 207.321 1.589 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CN(C)C ZINC000336745699 384583515 /nfs/dbraw/zinc/58/35/15/384583515.db2.gz VXAIFECSCHPYJQ-AGIUHOORSA-N 1 0 228.380 1.467 10 0 BDAERO CC(C)CCC[NH2+]C[C@@H]1CN(C)CCO1 ZINC000086005337 384585511 /nfs/dbraw/zinc/58/55/11/384585511.db2.gz KNWBRLHWFZPRSJ-GFCCVEGCSA-N 1 0 214.353 1.343 10 0 BDAERO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cn1 ZINC000334746185 384566560 /nfs/dbraw/zinc/56/65/60/384566560.db2.gz OSNFJBUUGMMNEV-ZWNOBZJWSA-N 1 0 220.316 1.593 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccccn2)C1 ZINC000334746501 384566850 /nfs/dbraw/zinc/56/68/50/384566850.db2.gz QYPDHJLYOVMGJX-CMPLNLGQSA-N 1 0 206.289 1.284 10 0 BDAERO [NH3+]C[C@@H]1CC[N@@H+](C2CCSCC2)C1 ZINC000050245539 384608948 /nfs/dbraw/zinc/60/89/48/384608948.db2.gz QAFCTUSMHXOKLU-VIFPVBQESA-N 1 0 200.351 1.163 10 0 BDAERO Cn1cnc(C[NH2+][C@@H]2CCC[C@@H]2CCF)n1 ZINC000309600860 384619314 /nfs/dbraw/zinc/61/93/14/384619314.db2.gz WLVRLDVEXVUMKA-NXEZZACHSA-N 1 0 226.299 1.433 10 0 BDAERO OC1CC(C[NH2+]Cc2cccc(F)c2F)C1 ZINC000084446055 384620412 /nfs/dbraw/zinc/62/04/12/384620412.db2.gz RFZSKSSGLYBQQP-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H](C)CC(C)(C)OC ZINC000020524746 384621683 /nfs/dbraw/zinc/62/16/83/384621683.db2.gz KBQCZHCLPZZVFO-VHSXEESVSA-N 1 0 203.326 1.551 10 0 BDAERO COC[C@H](C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000103430614 384625383 /nfs/dbraw/zinc/62/53/83/384625383.db2.gz GCAXBUPXYXVLNH-NEPJUHHUSA-N 1 0 242.363 1.117 10 0 BDAERO CCn1cc([C@@H](C)[NH2+]CC2CC(O)C2)cn1 ZINC000084448058 384627139 /nfs/dbraw/zinc/62/71/39/384627139.db2.gz ATHMRDCYVFEAIC-GRZMOONWSA-N 1 0 223.320 1.325 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC(C)(C)OC ZINC000404362095 384598298 /nfs/dbraw/zinc/59/82/98/384598298.db2.gz KHJLNGSDNPULCB-VHSXEESVSA-N 1 0 230.352 1.243 10 0 BDAERO CO[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000647538427 384666345 /nfs/dbraw/zinc/66/63/45/384666345.db2.gz RCPNLTSOEXQKGK-STQMWFEESA-N 1 0 226.364 1.487 10 0 BDAERO CO[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000647538424 384667751 /nfs/dbraw/zinc/66/77/51/384667751.db2.gz RCPNLTSOEXQKGK-CHWSQXEVSA-N 1 0 226.364 1.487 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309816887 384637278 /nfs/dbraw/zinc/63/72/78/384637278.db2.gz VKUJPJJQLXQUIQ-AXFHLTTASA-N 1 0 224.348 1.822 10 0 BDAERO c1cncc(-c2ccc(C3=[NH+]CCN3)cn2)c1 ZINC000035033800 384677089 /nfs/dbraw/zinc/67/70/89/384677089.db2.gz WMFAKEYNFFICND-UHFFFAOYSA-N 1 0 224.267 1.493 10 0 BDAERO Cc1ccc(N(C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000082500043 384685175 /nfs/dbraw/zinc/68/51/75/384685175.db2.gz WNGVZELKYHDXQB-LLVKDONJSA-N 1 0 205.305 1.578 10 0 BDAERO Cc1ccc(OC[C@@H]2CCC[NH2+]C2)nn1 ZINC000051883223 384697402 /nfs/dbraw/zinc/69/74/02/384697402.db2.gz JTBHPOGDSBYXIJ-SNVBAGLBSA-N 1 0 207.277 1.163 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104796124 384708135 /nfs/dbraw/zinc/70/81/35/384708135.db2.gz AFDHSGSFWXEHGA-PWSUYJOCSA-N 1 0 239.363 1.568 10 0 BDAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000262739067 384711019 /nfs/dbraw/zinc/71/10/19/384711019.db2.gz HMGFIPRXHQTBQS-NOOOWODRSA-N 1 0 240.347 1.140 10 0 BDAERO CC[C@@H]1CCN(C(=O)C=C(C)C)C[C@H]1[NH3+] ZINC000616568435 384715683 /nfs/dbraw/zinc/71/56/83/384715683.db2.gz BNCIONJJPAXDEQ-GHMZBOCLSA-N 1 0 210.321 1.538 10 0 BDAERO Cc1ccc(CNC2CC[NH2+]CC2)nc1C ZINC000313931202 384722711 /nfs/dbraw/zinc/72/27/11/384722711.db2.gz MRKLFMABISZUFU-UHFFFAOYSA-N 1 0 219.332 1.540 10 0 BDAERO CC(=O)CC[NH+]1CCC(c2ccnn2C)CC1 ZINC000103473434 384776592 /nfs/dbraw/zinc/77/65/92/384776592.db2.gz FXGIBBQQBLGTJM-UHFFFAOYSA-N 1 0 235.331 1.579 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000054074756 384731045 /nfs/dbraw/zinc/73/10/45/384731045.db2.gz KNQOADKEMQQAMZ-SSDOTTSWSA-N 1 0 246.763 1.968 10 0 BDAERO C[C@@H]([NH3+])Cc1ccncc1Br ZINC000044461746 384731133 /nfs/dbraw/zinc/73/11/33/384731133.db2.gz NQMRSVHXISSICR-ZCFIWIBFSA-N 1 0 215.094 1.734 10 0 BDAERO O=c1[nH]c2cccc(C3CC[NH2+]CC3)c2[nH]1 ZINC000082975769 384731364 /nfs/dbraw/zinc/73/13/64/384731364.db2.gz CAADAVXPSDFRQV-UHFFFAOYSA-N 1 0 217.272 1.323 10 0 BDAERO N[C@H](C[NH3+])c1ccc(F)cc1Br ZINC000044470344 384733081 /nfs/dbraw/zinc/73/30/81/384733081.db2.gz DAPFBRCCNZYDCI-MRVPVSSYSA-N 1 0 233.084 1.547 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291472 384734478 /nfs/dbraw/zinc/73/44/78/384734478.db2.gz UNMDHSVPIMNYIZ-SRVKXCTJSA-N 1 0 226.364 1.927 10 0 BDAERO CC(C)=CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173938439 384735517 /nfs/dbraw/zinc/73/55/17/384735517.db2.gz KGWHIXDGVYNLBT-CYBMUJFWSA-N 1 0 224.348 1.359 10 0 BDAERO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1 ZINC000083117734 384741570 /nfs/dbraw/zinc/74/15/70/384741570.db2.gz VACVPDFFRSEHPU-MNOVXSKESA-N 1 0 214.353 1.220 10 0 BDAERO N[C@@H](C[NH3+])c1cc(OC(F)(F)F)ccc1F ZINC000044473157 384742802 /nfs/dbraw/zinc/74/28/02/384742802.db2.gz FMVZANJOPWWEPI-QMMMGPOBSA-N 1 0 238.184 1.683 10 0 BDAERO OC1(CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CCC1 ZINC000335477078 384743010 /nfs/dbraw/zinc/74/30/10/384743010.db2.gz VMIIYLLZQCEDCN-CHWSQXEVSA-N 1 0 239.359 1.935 10 0 BDAERO c1nc2cccnc2n1C[C@H]1CCC[NH2+]C1 ZINC000082656193 384745040 /nfs/dbraw/zinc/74/50/40/384745040.db2.gz FUPOFXRNSSJMQH-JTQLQIEISA-N 1 0 216.288 1.431 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)c(C)n1 ZINC000334937688 384756173 /nfs/dbraw/zinc/75/61/73/384756173.db2.gz PJGQOYBBAGDHHA-DGCLKSJQSA-N 1 0 220.316 1.965 10 0 BDAERO O=C(O[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000086229660 384771224 /nfs/dbraw/zinc/77/12/24/384771224.db2.gz AENADFGFGIIQCU-JTQLQIEISA-N 1 0 212.293 1.361 10 0 BDAERO O=C(O[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000086229658 384772344 /nfs/dbraw/zinc/77/23/44/384772344.db2.gz AENADFGFGIIQCU-SNVBAGLBSA-N 1 0 212.293 1.361 10 0 BDAERO CC(C)(O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105903892 384815953 /nfs/dbraw/zinc/81/59/53/384815953.db2.gz LMOBIPHTPNLXTI-UHFFFAOYSA-N 1 0 237.347 1.366 10 0 BDAERO Cc1cc(Br)ccc1[C@H]([NH3+])CO ZINC000072198662 384816381 /nfs/dbraw/zinc/81/63/81/384816381.db2.gz APVGIIBNVUYYIO-SECBINFHSA-N 1 0 230.105 1.750 10 0 BDAERO Cc1cc(Br)ccc1[C@@H](N)C[NH3+] ZINC000072201228 384816395 /nfs/dbraw/zinc/81/63/95/384816395.db2.gz JRSNNRLUXPUAAS-VIFPVBQESA-N 1 0 229.121 1.716 10 0 BDAERO O=C1COc2ccc(CC3CC[NH2+]CC3)cc2N1 ZINC000062534872 384828395 /nfs/dbraw/zinc/82/83/95/384828395.db2.gz XFJHVVOIFKVWBM-UHFFFAOYSA-N 1 0 246.310 1.560 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1Cl ZINC000048775556 384787065 /nfs/dbraw/zinc/78/70/65/384787065.db2.gz IFZNTKYPHCPDTI-SSDOTTSWSA-N 1 0 212.680 1.886 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])CC(F)F ZINC000648193649 384808015 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/nfs/dbraw/zinc/85/21/26/384852126.db2.gz FIZGQOZZMQMOQI-JGVFFNPUSA-N 1 0 200.282 1.262 10 0 BDAERO CC[C@H]([NH3+])c1nc(-c2cccs2)n[nH]1 ZINC000054700113 384852462 /nfs/dbraw/zinc/85/24/62/384852462.db2.gz QFUVMOUUUHINSG-LURJTMIESA-N 1 0 208.290 1.943 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403699303 384852645 /nfs/dbraw/zinc/85/26/45/384852645.db2.gz BYVLZLKBUPQLFE-AAVRWANBSA-N 1 0 241.375 1.942 10 0 BDAERO C[C@H]1[NH2+]CC[C@H]1NC(=O)OC(C)(C)C ZINC000084237381 384852569 /nfs/dbraw/zinc/85/25/69/384852569.db2.gz FIZGQOZZMQMOQI-HTQZYQBOSA-N 1 0 200.282 1.262 10 0 BDAERO O=C1c2ccccc2C(=O)N1C[C@H]1CCC[NH2+]1 ZINC000043496008 384855345 /nfs/dbraw/zinc/85/53/45/384855345.db2.gz ZVNDTFFBORBYMW-SECBINFHSA-N 1 0 230.267 1.035 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CC2CCC(C)CC2)C1 ZINC000310145077 384857921 /nfs/dbraw/zinc/85/79/21/384857921.db2.gz NTAAXXOEVBZYKP-HOAMVYINSA-N 1 0 241.375 1.894 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643729315 384864910 /nfs/dbraw/zinc/86/49/10/384864910.db2.gz WNRYJGXIZXKUPF-NTZNESFSSA-N 1 0 240.347 1.060 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2CCC(C)(C)O)cn1 ZINC000310300565 384960634 /nfs/dbraw/zinc/96/06/34/384960634.db2.gz BLWDILYJISYAIC-LBPRGKRZSA-N 1 0 237.347 1.718 10 0 BDAERO COC(=O)[C@@H](C[NH3+])c1ccccc1Cl ZINC000057496935 384951609 /nfs/dbraw/zinc/95/16/09/384951609.db2.gz JLYFVFOEDLOTCB-QMMMGPOBSA-N 1 0 213.664 1.555 10 0 BDAERO COC[C@H](C)[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000368438279 384953575 /nfs/dbraw/zinc/95/35/75/384953575.db2.gz KJGDQWBJNPARKD-WDEREUQCSA-N 1 0 223.320 1.070 10 0 BDAERO COC[C@H](C)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086930961 384894195 /nfs/dbraw/zinc/89/41/95/384894195.db2.gz XTGWLWQJAHMTIY-FRRDWIJNSA-N 1 0 226.364 1.437 10 0 BDAERO COC[C@@H](C)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086930956 384895343 /nfs/dbraw/zinc/89/53/43/384895343.db2.gz MAUWKSARUNZHPP-NWDGAFQWSA-N 1 0 212.337 1.049 10 0 BDAERO Cc1nnc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)s1 ZINC000301612774 384905123 /nfs/dbraw/zinc/90/51/23/384905123.db2.gz SQCWWZIXFGPKSS-WPRPVWTQSA-N 1 0 240.376 1.987 10 0 BDAERO C[C@@H](C(=O)N[C@H]1COc2ccccc21)C1C[NH2+]C1 ZINC000164569461 384934246 /nfs/dbraw/zinc/93/42/46/384934246.db2.gz YQRUYSPPKNBDPM-SKDRFNHKSA-N 1 0 246.310 1.092 10 0 BDAERO CC(=O)NC1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000177278400 384934471 /nfs/dbraw/zinc/93/44/71/384934471.db2.gz MXWHOAKCHCQKLT-UHEGKEBESA-N 1 0 224.348 1.822 10 0 BDAERO C[NH+](C)[C@H]1CC[C@@H](Nc2ncccn2)C1 ZINC000301917382 384945988 /nfs/dbraw/zinc/94/59/88/384945988.db2.gz HOOMWHIVENFPCJ-ZJUUUORDSA-N 1 0 206.293 1.371 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccsc1 ZINC000085790246 384967933 /nfs/dbraw/zinc/96/79/33/384967933.db2.gz SKRUULCQRWTTAB-JQWIXIFHSA-N 1 0 240.372 1.729 10 0 BDAERO [NH3+][C@@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1 ZINC000070460252 384993470 /nfs/dbraw/zinc/99/34/70/384993470.db2.gz YDVICFBNERGNNY-MRVPVSSYSA-N 1 0 234.328 1.676 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1nc(C2CC2)ns1 ZINC000307400161 385009009 /nfs/dbraw/zinc/00/90/09/385009009.db2.gz ZFMWSCYHSZYGOB-RITPCOANSA-N 1 0 212.322 1.563 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)sn1 ZINC000404460706 385009400 /nfs/dbraw/zinc/00/94/00/385009400.db2.gz NXZGAULAFXGYFH-ZJUUUORDSA-N 1 0 226.345 1.845 10 0 BDAERO CC(C)C[C@@H](C)C[N@@H+]1CCO[C@H](CO)C1 ZINC000300887886 385020185 /nfs/dbraw/zinc/02/01/85/385020185.db2.gz JNWGTOHGCDKORD-NEPJUHHUSA-N 1 0 215.337 1.362 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CO ZINC000245931426 385082860 /nfs/dbraw/zinc/08/28/60/385082860.db2.gz JHOCWMQQVVMNEA-BJDJZHNGSA-N 1 0 213.321 1.305 10 0 BDAERO COc1cc(C)nc(NC[C@H]([NH3+])C(C)C)n1 ZINC000166462934 385027928 /nfs/dbraw/zinc/02/79/28/385027928.db2.gz LYSQMEOXPWQUOQ-VIFPVBQESA-N 1 0 224.308 1.189 10 0 BDAERO C[C@H](CCCC[NH3+])Nc1ccnc(N(C)C)n1 ZINC000310390426 385028789 /nfs/dbraw/zinc/02/87/89/385028789.db2.gz ITXTVYVOVHSUJK-SNVBAGLBSA-N 1 0 237.351 1.472 10 0 BDAERO CN(CC1CC[NH2+]CC1)c1nccs1 ZINC000086703986 385041069 /nfs/dbraw/zinc/04/10/69/385041069.db2.gz VJTNMRXFVHRDHY-UHFFFAOYSA-N 1 0 211.334 1.579 10 0 BDAERO C[C@H](CCCC[NH3+])Nc1nccn2cnnc12 ZINC000310544561 385110527 /nfs/dbraw/zinc/11/05/27/385110527.db2.gz RXAODXYZUJNTRU-SECBINFHSA-N 1 0 234.307 1.054 10 0 BDAERO Cc1cnc(Cl)c(NC(=O)CN(C)C)c1 ZINC000234239470 385115789 /nfs/dbraw/zinc/11/57/89/385115789.db2.gz WMKNHXSIOOUOSX-UHFFFAOYSA-N 1 0 227.695 1.544 10 0 BDAERO Cc1ccnc(NCC2CC[NH2+]CC2)n1 ZINC000061859624 385140487 /nfs/dbraw/zinc/14/04/87/385140487.db2.gz AUZDFBCUDJTKQP-UHFFFAOYSA-N 1 0 206.293 1.197 10 0 BDAERO c1nnc([C@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)[nH]1 ZINC000407948929 385094572 /nfs/dbraw/zinc/09/45/72/385094572.db2.gz BBOKPJNJCFSJRB-MNOVXSKESA-N 1 0 236.319 1.021 10 0 BDAERO [NH3+]Cc1ccc(NCCO)cc1Cl ZINC000061846413 385141296 /nfs/dbraw/zinc/14/12/96/385141296.db2.gz YHNZRRFQSKTTEP-UHFFFAOYSA-N 1 0 200.669 1.203 10 0 BDAERO CCc1cc(CC)nc(NC[C@@H](C)[NH3+])n1 ZINC000308824267 385187605 /nfs/dbraw/zinc/18/76/05/385187605.db2.gz RONWPBFAVWAJHD-MRVPVSSYSA-N 1 0 208.309 1.361 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@@H+]([C@H]2C=CCCC2)C1 ZINC000308803794 385177555 /nfs/dbraw/zinc/17/75/55/385177555.db2.gz AFHFGONUCNVBRU-SDDRHHMPSA-N 1 0 211.305 1.177 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCC(C)C)C1 ZINC000344065203 385250312 /nfs/dbraw/zinc/25/03/12/385250312.db2.gz SEMYJCPGEBPGNY-NWDGAFQWSA-N 1 0 215.337 1.504 10 0 BDAERO FC(F)(F)c1ccn(C[C@@H]2CCC[NH2+]C2)n1 ZINC000043472201 385306719 /nfs/dbraw/zinc/30/67/19/385306719.db2.gz JYCBSKZSTKOIMM-MRVPVSSYSA-N 1 0 233.237 1.902 10 0 BDAERO [NH3+]Cc1cn(-c2ccc(Cl)cc2F)nn1 ZINC000050224127 385311859 /nfs/dbraw/zinc/31/18/59/385311859.db2.gz VQEFVARIEHMXIZ-UHFFFAOYSA-N 1 0 226.642 1.519 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)cn1 ZINC000246983813 385269078 /nfs/dbraw/zinc/26/90/78/385269078.db2.gz LADFQCYBXQZUHS-TZMCWYRMSA-N 1 0 249.358 1.779 10 0 BDAERO C[C@H]1CC[C@@H](NC(=O)CC(F)(F)F)C[NH2+]1 ZINC000164690622 385270522 /nfs/dbraw/zinc/27/05/22/385270522.db2.gz WNWMHHDNGQTNER-NKWVEPMBSA-N 1 0 224.226 1.196 10 0 BDAERO CC(C)[NH+]1CCC(c2cc(N)n[nH]2)CC1 ZINC000259336301 385283700 /nfs/dbraw/zinc/28/37/00/385283700.db2.gz SSRAAPYQQHKUTH-UHFFFAOYSA-N 1 0 208.309 1.580 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2c(C)cccc2C)C1 ZINC000344753853 385292991 /nfs/dbraw/zinc/29/29/91/385292991.db2.gz WGVACUNDDDSMKN-ZIAGYGMSSA-N 1 0 249.354 1.885 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCc2ccccc2)C1 ZINC000311164115 385347605 /nfs/dbraw/zinc/34/76/05/385347605.db2.gz ZHFSQMSALIXGRK-GJZGRUSLSA-N 1 0 249.354 1.701 10 0 BDAERO COC1(C(=O)N[C@@H](C)CC2CC2)CC[NH2+]CC1 ZINC000158176422 385358414 /nfs/dbraw/zinc/35/84/14/385358414.db2.gz XPDYATWHSVNUPS-JTQLQIEISA-N 1 0 240.347 1.060 10 0 BDAERO Cn1cc([C@@H]2CCCN2Cc2ccnn2C)cn1 ZINC000131927766 385369805 /nfs/dbraw/zinc/36/98/05/385369805.db2.gz IGSSJBPRLIAESS-ZDUSSCGKSA-N 1 0 245.330 1.491 10 0 BDAERO COCCCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161593211 385375499 /nfs/dbraw/zinc/37/54/99/385375499.db2.gz PZFGQVFDPBOALU-LLVKDONJSA-N 1 0 201.310 1.117 10 0 BDAERO CC[C@H]1CN(c2nnc(C)c(C)n2)CC[C@@H]1[NH3+] ZINC000165383077 385383780 /nfs/dbraw/zinc/38/37/80/385383780.db2.gz BCDRBTWSVZLHKJ-QWRGUYRKSA-N 1 0 235.335 1.052 10 0 BDAERO C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)C1CCCC1 ZINC000644051925 385398950 /nfs/dbraw/zinc/39/89/50/385398950.db2.gz LVUXMIXHRDRBFX-ONGXEEELSA-N 1 0 224.348 1.679 10 0 BDAERO COCc1noc([C@H](C)[NH2+][C@H](C)C(C)C)n1 ZINC000181325465 385405803 /nfs/dbraw/zinc/40/58/03/385405803.db2.gz NPKKGRLEXPGROJ-BDAKNGLRSA-N 1 0 227.308 1.911 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(C)(C)C ZINC000114474918 385416272 /nfs/dbraw/zinc/41/62/72/385416272.db2.gz ATKVGAFFPCCHNV-WDEREUQCSA-N 1 0 214.353 1.341 10 0 BDAERO COC(=O)[C@H](N)COc1ccc(Cl)cc1 ZINC000169726697 385418406 /nfs/dbraw/zinc/41/84/06/385418406.db2.gz UEUOCMPYNOPRAU-SECBINFHSA-N 1 0 229.663 1.219 10 0 BDAERO COC(=O)[C@H](N)[C@H](C)Sc1ccccc1 ZINC000169726742 385418411 /nfs/dbraw/zinc/41/84/11/385418411.db2.gz VQTQAAZZNGBWGM-WCBMZHEXSA-N 1 0 225.313 1.668 10 0 BDAERO COC(=O)[C@H](N)[C@@H](C)Sc1ccccn1 ZINC000169726771 385418713 /nfs/dbraw/zinc/41/87/13/385418713.db2.gz OKSQTGRVKYZMNK-VXNVDRBHSA-N 1 0 226.301 1.063 10 0 BDAERO [NH3+]Cc1cnn(-c2ccc(Cl)cc2)n1 ZINC000051174660 385445367 /nfs/dbraw/zinc/44/53/67/385445367.db2.gz NAUVBGJSZZUFKM-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(N)=O ZINC000309201350 385475756 /nfs/dbraw/zinc/47/57/56/385475756.db2.gz RILIGEYBYFNMMS-GMTAPVOTSA-N 1 0 212.337 1.809 10 0 BDAERO Cc1n[nH]c(C)c1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000257678126 385485411 /nfs/dbraw/zinc/48/54/11/385485411.db2.gz KGYBQBKEQDQUKP-CYBMUJFWSA-N 1 0 234.347 1.354 10 0 BDAERO [NH3+][C@H]1CCCN(c2ncc(Cl)s2)C1 ZINC000642986940 385492349 /nfs/dbraw/zinc/49/23/49/385492349.db2.gz RDSMXFGVAIAZCS-LURJTMIESA-N 1 0 217.725 1.724 10 0 BDAERO Cc1cc(NCCC[NH2+]C(C)C)n2ncnc2n1 ZINC000643003153 385500064 /nfs/dbraw/zinc/50/00/64/385500064.db2.gz XBKQQCBFVWHQIJ-UHFFFAOYSA-N 1 0 248.334 1.233 10 0 BDAERO CC[C@H]1C[N@H+](CCSC)CCN1CCOC ZINC000171630769 385501010 /nfs/dbraw/zinc/50/10/10/385501010.db2.gz NAWGFYRCIZIUKL-LBPRGKRZSA-N 1 0 246.420 1.392 10 0 BDAERO CC(C)[NH2+]CCCNc1ncncc1Cl ZINC000643003623 385502225 /nfs/dbraw/zinc/50/22/25/385502225.db2.gz FFUMNFORVPWDBJ-UHFFFAOYSA-N 1 0 228.727 1.352 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)c2nccn2C)c1 ZINC000183148951 385510129 /nfs/dbraw/zinc/51/01/29/385510129.db2.gz GZTPXWOUTORJQU-NSHDSACASA-N 1 0 233.319 1.276 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000171925379 385533653 /nfs/dbraw/zinc/53/36/53/385533653.db2.gz JPDKKPLSJGGBAA-LLVKDONJSA-N 1 0 232.331 1.494 10 0 BDAERO c1cc2ccc([C@@H]3C[NH2+]CCO3)cc2cn1 ZINC000258094547 385537832 /nfs/dbraw/zinc/53/78/32/385537832.db2.gz QLXHELYDGUSCJO-ZDUSSCGKSA-N 1 0 214.268 1.896 10 0 BDAERO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CCF)C(N)=O ZINC000309351944 385543506 /nfs/dbraw/zinc/54/35/06/385543506.db2.gz NAJZVPZQACFDKD-VHSXEESVSA-N 1 0 230.327 1.616 10 0 BDAERO CC1([NH3+])CCN(c2ccnc3cccnc32)CC1 ZINC000643028512 385523721 /nfs/dbraw/zinc/52/37/21/385523721.db2.gz LZNZUFPBQLDHBK-UHFFFAOYSA-N 1 0 242.326 1.947 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000181125534 385564033 /nfs/dbraw/zinc/56/40/33/385564033.db2.gz KTYWLPDWJRYWTK-NEPJUHHUSA-N 1 0 223.320 1.382 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccoc1C ZINC000054076549 385594612 /nfs/dbraw/zinc/59/46/12/385594612.db2.gz XPDADHZVMKHHNH-MRVPVSSYSA-N 1 0 210.277 1.154 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(F)c1 ZINC000037030526 385595576 /nfs/dbraw/zinc/59/55/76/385595576.db2.gz NREUMTXCZKXVQU-RXMQYKEDSA-N 1 0 216.643 1.765 10 0 BDAERO C[C@H](C[NH3+])Nc1ccc(Br)cn1 ZINC000082576164 385580543 /nfs/dbraw/zinc/58/05/43/385580543.db2.gz ZQVZCVQWGXWOBR-ZCFIWIBFSA-N 1 0 230.109 1.603 10 0 BDAERO [NH3+][C@@H]1C[C@H]1CN1c2ccc(F)cc2CC1=O ZINC000211938334 385701199 /nfs/dbraw/zinc/70/11/99/385701199.db2.gz DSRXLRNYOIBCSQ-WCBMZHEXSA-N 1 0 220.247 1.062 10 0 BDAERO CC(=O)c1ccc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)nc1 ZINC000212862943 385743980 /nfs/dbraw/zinc/74/39/80/385743980.db2.gz KADCFFUCUSURTK-GWCFXTLKSA-N 1 0 247.342 1.671 10 0 BDAERO CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)C(C)(C)C ZINC000309620002 385752071 /nfs/dbraw/zinc/75/20/71/385752071.db2.gz CYNDYWCTTSCSLP-GMXVVIOVSA-N 1 0 229.364 1.941 10 0 BDAERO Cc1nc(-c2cnccn2)sc1C[NH3+] ZINC000052329991 385724318 /nfs/dbraw/zinc/72/43/18/385724318.db2.gz HOYQGSDZPQHLLK-UHFFFAOYSA-N 1 0 206.274 1.367 10 0 BDAERO CC1CC(C(=O)N(C)[C@H](C[NH3+])C2CC2)C1 ZINC000521424343 385806153 /nfs/dbraw/zinc/80/61/53/385806153.db2.gz RDGUKXDEYGPPDK-BOBPJJCASA-N 1 0 210.321 1.228 10 0 BDAERO Clc1cc(NCC[NH+]2CCCC2)ncn1 ZINC000054109628 385851226 /nfs/dbraw/zinc/85/12/26/385851226.db2.gz QLEKEWBPNRRETG-UHFFFAOYSA-N 1 0 226.711 1.638 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1cccc(OC)c1 ZINC000215989792 385855659 /nfs/dbraw/zinc/85/56/59/385855659.db2.gz QZZWHIDLXDKUIR-OLZOCXBDSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1c1cccc(C)c1 ZINC000215989314 385855882 /nfs/dbraw/zinc/85/58/82/385855882.db2.gz HVHLJCLQPLVMMN-CHWSQXEVSA-N 1 0 233.311 1.861 10 0 BDAERO CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000231354551 385796547 /nfs/dbraw/zinc/79/65/47/385796547.db2.gz NKJBHGKTTHVRFF-JTQLQIEISA-N 1 0 237.372 1.717 10 0 BDAERO C[C@@H]1CC[C@@]2(C[C@@]2(C[NH3+])CO)CS1 ZINC000575534880 385895181 /nfs/dbraw/zinc/89/51/81/385895181.db2.gz NTEBAPZENFRSOW-OPRDCNLKSA-N 1 0 201.335 1.229 10 0 BDAERO C[C@@H]1C[NH2+][C@@](C)(C[C@H]2CCCO2)S1 ZINC000575534778 385899297 /nfs/dbraw/zinc/89/92/97/385899297.db2.gz YMQMAJAHBHDJQD-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]1C[C@@H](NC2=[NH+]CCS2)[C@@H](C)O1 ZINC000307095596 385904498 /nfs/dbraw/zinc/90/44/98/385904498.db2.gz CKUXSDZVGMGOGQ-BWZBUEFSSA-N 1 0 200.307 1.245 10 0 BDAERO CCC(C)(C)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335020996 385981473 /nfs/dbraw/zinc/98/14/73/385981473.db2.gz JMPMJZQBLNKJAJ-WDEREUQCSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1nscc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000335023304 385985325 /nfs/dbraw/zinc/98/53/25/385985325.db2.gz KPGLNRCEIYHEOE-PSASIEDQSA-N 1 0 239.344 1.322 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2CCSC2)c1 ZINC000124111061 385990928 /nfs/dbraw/zinc/99/09/28/385990928.db2.gz QMCZNKBUDMOJDI-SNVBAGLBSA-N 1 0 211.334 1.287 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]12 ZINC000309405458 386007804 /nfs/dbraw/zinc/00/78/04/386007804.db2.gz VWBOUHQPOBLXMQ-MROQNXINSA-N 1 0 224.348 1.225 10 0 BDAERO CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)C(C)(C)C ZINC000336729544 386123665 /nfs/dbraw/zinc/12/36/65/386123665.db2.gz HSTJEERMKIKPGD-DGCLKSJQSA-N 1 0 228.380 1.467 10 0 BDAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NC(N)=O)cc1 ZINC000037977100 386110021 /nfs/dbraw/zinc/11/00/21/386110021.db2.gz CTVMGYVSHYRJPH-SECBINFHSA-N 1 0 249.314 1.095 10 0 BDAERO C[NH2+][C@]1(CO)CCSc2ccccc21 ZINC000038121127 386124336 /nfs/dbraw/zinc/12/43/36/386124336.db2.gz VKQLQCBCSGSWSC-NSHDSACASA-N 1 0 209.314 1.589 10 0 BDAERO COC[C@@H](C)[NH2+]Cc1cc(C)nc(C)n1 ZINC000336772163 386062833 /nfs/dbraw/zinc/06/28/33/386062833.db2.gz XOIIELNRPIXUEL-SECBINFHSA-N 1 0 209.293 1.218 10 0 BDAERO CC(C)n1nccc1CN1CC[C@@H]([NH3+])[C@@H]1C ZINC000334592275 386096067 /nfs/dbraw/zinc/09/60/67/386096067.db2.gz JGRIZWYLUBLZFW-CMPLNLGQSA-N 1 0 222.336 1.386 10 0 BDAERO Cc1ncccc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000310247322 386168817 /nfs/dbraw/zinc/16/88/17/386168817.db2.gz FCCCPRMQKBVNLE-UHFFFAOYSA-N 1 0 231.303 1.224 10 0 BDAERO [NH3+]C1(c2cscn2)CCSCC1 ZINC000575575280 386177326 /nfs/dbraw/zinc/17/73/26/386177326.db2.gz FIHVODOMEVQOKC-UHFFFAOYSA-N 1 0 200.332 1.824 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)COC ZINC000026513590 386130222 /nfs/dbraw/zinc/13/02/22/386130222.db2.gz PPMLWBXRWMMXBC-NXEZZACHSA-N 1 0 230.352 1.304 10 0 BDAERO Cc1ccnc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)n1 ZINC000425525904 386311521 /nfs/dbraw/zinc/31/15/21/386311521.db2.gz IPDAKCBLOHSFMF-AVGNSLFASA-N 1 0 247.342 1.378 10 0 BDAERO Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cn1 ZINC000425526214 386311576 /nfs/dbraw/zinc/31/15/76/386311576.db2.gz JBBBTPSANYVWDR-SGMGOOAPSA-N 1 0 247.342 1.378 10 0 BDAERO Cc1noc(CCC[N@@H+]2CC[C@@H](CCO)C2)n1 ZINC000336686003 386344301 /nfs/dbraw/zinc/34/43/01/386344301.db2.gz FUOKJXNXUNJMMW-NSHDSACASA-N 1 0 239.319 1.015 10 0 BDAERO Cc1noc(C)c1CC[N@@H+]1CC[C@H](CCO)C1 ZINC000336676818 386327447 /nfs/dbraw/zinc/32/74/47/386327447.db2.gz AQKNRQBZPMIAQS-GFCCVEGCSA-N 1 0 238.331 1.538 10 0 BDAERO CC[NH+]1CCC(N)(C(=O)OC(C)(C)C)CC1 ZINC000521400268 386443750 /nfs/dbraw/zinc/44/37/50/386443750.db2.gz CWOUGGWCZJMJJX-UHFFFAOYSA-N 1 0 228.336 1.141 10 0 BDAERO C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)C(C)(C)C ZINC000399185946 386444368 /nfs/dbraw/zinc/44/43/68/386444368.db2.gz TXIWPYWBBNBDQQ-UTLUCORTSA-N 1 0 212.337 1.474 10 0 BDAERO BrC1(Br)[C@H]2C[NH2+]C[C@H]21 ZINC000521399003 386425156 /nfs/dbraw/zinc/42/51/56/386425156.db2.gz ABURLYYXXXDZKZ-ZXZARUISSA-N 1 0 240.926 1.322 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C12CCC2 ZINC000521399815 386433876 /nfs/dbraw/zinc/43/38/76/386433876.db2.gz SXJWLOYSKBKCIE-SECBINFHSA-N 1 0 226.320 1.877 10 0 BDAERO COCCCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399260279 386471016 /nfs/dbraw/zinc/47/10/16/386471016.db2.gz OJLPNFLPFYYKQN-WDEREUQCSA-N 1 0 201.310 1.258 10 0 BDAERO Cc1ncsc1CC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399264320 386471119 /nfs/dbraw/zinc/47/11/19/386471119.db2.gz UYTKRMOZTZYVOF-ONGXEEELSA-N 1 0 240.372 1.839 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCN1CCCCC1 ZINC000399214134 386457125 /nfs/dbraw/zinc/45/71/25/386457125.db2.gz HHHUIFYMDOLSQN-STQMWFEESA-N 1 0 226.364 1.318 10 0 BDAERO COc1ncccc1C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399217350 386458142 /nfs/dbraw/zinc/45/81/42/386458142.db2.gz UYYHQZRWOLOFMJ-CMPLNLGQSA-N 1 0 236.315 1.435 10 0 BDAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1Cc1ccccc1 ZINC000238855030 386537252 /nfs/dbraw/zinc/53/72/52/386537252.db2.gz QEZGAANBMURYQX-MRVWCRGKSA-N 1 0 216.328 1.869 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ncccc1O ZINC000160914434 386539256 /nfs/dbraw/zinc/53/92/56/386539256.db2.gz MZHWNJMVANNJSV-VXNVDRBHSA-N 1 0 223.276 1.099 10 0 BDAERO CCC[C@@H](C(=O)N1CCC[C@H](OC)C1)[NH+](C)C ZINC000179184261 386624655 /nfs/dbraw/zinc/62/46/55/386624655.db2.gz QEPMNTXINQPEAW-RYUDHWBXSA-N 1 0 242.363 1.354 10 0 BDAERO CC[C@]1(C(=O)N[C@H](C)C(C)C)CC[NH2+]C1 ZINC000062890142 386633932 /nfs/dbraw/zinc/63/39/32/386633932.db2.gz GOMHVVBXGFEQHT-PWSUYJOCSA-N 1 0 212.337 1.537 10 0 BDAERO FCCNC1=[NH+]C2(CS1)CCOCC2 ZINC000307428061 386650169 /nfs/dbraw/zinc/65/01/69/386650169.db2.gz ZZMIWTUTLNQVFM-UHFFFAOYSA-N 1 0 218.297 1.198 10 0 BDAERO Cc1ccccc1[C@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000647907314 386655313 /nfs/dbraw/zinc/65/53/13/386655313.db2.gz NWWOXKJWMRRDCS-SDDRHHMPSA-N 1 0 232.327 1.910 10 0 BDAERO C[C@@H](C[N@H+](C)[C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000320661693 386671565 /nfs/dbraw/zinc/67/15/65/386671565.db2.gz LRWBCVRNLUEIGE-QWRGUYRKSA-N 1 0 243.347 1.685 10 0 BDAERO CCN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCC1 ZINC000648088642 386680868 /nfs/dbraw/zinc/68/08/68/386680868.db2.gz WMFPVUXOGHWDME-JQWIXIFHSA-N 1 0 224.348 1.762 10 0 BDAERO CC[C@H]([NH2+]CC(=O)NC1CC1)[C@@H]1C[C@H]1C ZINC000321109869 386687903 /nfs/dbraw/zinc/68/79/03/386687903.db2.gz QITDVDZMPOOOBO-IEBDPFPHSA-N 1 0 210.321 1.289 10 0 BDAERO CO[C@@H](C)CN(C(=O)C[C@H]([NH3+])C(C)C)C(C)C ZINC000648089576 386690480 /nfs/dbraw/zinc/69/04/80/386690480.db2.gz WFOIYBGKVFYUBS-RYUDHWBXSA-N 1 0 244.379 1.632 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000307596135 386748433 /nfs/dbraw/zinc/74/84/33/386748433.db2.gz LPNZGAMQYOJTNE-ZNSHCXBVSA-N 1 0 215.362 1.631 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000307596133 386749855 /nfs/dbraw/zinc/74/98/55/386749855.db2.gz LPNZGAMQYOJTNE-RCWTZXSCSA-N 1 0 215.362 1.631 10 0 BDAERO C[N@@H+]1C[C@](C)(O)[C@@](C)(O)C[C@H]1c1ccccc1 ZINC000575448979 386770794 /nfs/dbraw/zinc/77/07/94/386770794.db2.gz ZHQCINFMVJHYIV-IHRRRGAJSA-N 1 0 235.327 1.565 10 0 BDAERO C[C@@H]1CSC[C@@]1([NH3+])c1ccsn1 ZINC000575450811 386786112 /nfs/dbraw/zinc/78/61/12/386786112.db2.gz JVFCCYPMNOEKST-SVRRBLITSA-N 1 0 200.332 1.680 10 0 BDAERO COc1nc([C@]2([NH3+])CCSC2)cs1 ZINC000575451411 386809350 /nfs/dbraw/zinc/80/93/50/386809350.db2.gz IHWLPKPRBDYWGZ-QMMMGPOBSA-N 1 0 216.331 1.443 10 0 BDAERO COc1nc([C@@]2([NH3+])CCSC2)cs1 ZINC000575451410 386809776 /nfs/dbraw/zinc/80/97/76/386809776.db2.gz IHWLPKPRBDYWGZ-MRVPVSSYSA-N 1 0 216.331 1.443 10 0 BDAERO c1cn([C@H]2CC[N@@H+](CC3CCCC3)C2)nn1 ZINC000585380314 386853069 /nfs/dbraw/zinc/85/30/69/386853069.db2.gz VIDVTWARKXVARD-LBPRGKRZSA-N 1 0 220.320 1.715 10 0 BDAERO CC(C)(C)[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398709010 386958499 /nfs/dbraw/zinc/95/84/99/386958499.db2.gz OBLYHHAHAVFHOX-UMSGYPCISA-N 1 0 241.375 1.486 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC000398771602 386988429 /nfs/dbraw/zinc/98/84/29/386988429.db2.gz HEJDFEJWMHOODK-YRGRVCCFSA-N 1 0 232.327 1.674 10 0 BDAERO C[N@@H+](Cc1cnccn1)C[C@H]1CCC[C@@H](O)C1 ZINC000647966239 386989506 /nfs/dbraw/zinc/98/95/06/386989506.db2.gz HSFDDIMYEHOCSU-WCQYABFASA-N 1 0 235.331 1.460 10 0 BDAERO CC(C)(O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398802951 386995899 /nfs/dbraw/zinc/99/58/99/386995899.db2.gz RWAHJKWWHXZGJK-SDDRHHMPSA-N 1 0 227.348 1.240 10 0 BDAERO C[C@@H]1CC[C@H](C)N1C(=O)C1CCC([NH3+])CC1 ZINC000648101637 387002461 /nfs/dbraw/zinc/00/24/61/387002461.db2.gz LLVRIUSPRBKJRM-ZYANWLCNSA-N 1 0 224.348 1.903 10 0 BDAERO [NH3+][C@H]1CO[C@H](c2cncc(Br)c2)C1 ZINC000575461402 387030483 /nfs/dbraw/zinc/03/04/83/387030483.db2.gz DYDYWGOGQIJPHT-BDAKNGLRSA-N 1 0 243.104 1.633 10 0 BDAERO [NH3+][C@@]1(c2ccsn2)CCCSC1 ZINC000575457759 387031332 /nfs/dbraw/zinc/03/13/32/387031332.db2.gz XINUKRLKDSCIKO-QMMMGPOBSA-N 1 0 200.332 1.824 10 0 BDAERO C[C@H]1CCN[C@@]2(CCC[NH2+]CC2)S1 ZINC000575577481 387036593 /nfs/dbraw/zinc/03/65/93/387036593.db2.gz ZAGHNZMZBMKXBL-UWVGGRQHSA-N 1 0 200.351 1.571 10 0 BDAERO N[C@@H](C[NH3+])c1ccsc1Br ZINC000575583472 387057448 /nfs/dbraw/zinc/05/74/48/387057448.db2.gz LWMGBTGWWDHZTN-YFKPBYRVSA-N 1 0 221.123 1.469 10 0 BDAERO C[C@@H]1CN([C@@]2(C[NH3+])CCSC2)[C@H]1C ZINC000575582760 387060971 /nfs/dbraw/zinc/06/09/71/387060971.db2.gz HPQJJGYVZZTTQK-KXUCPTDWSA-N 1 0 200.351 1.161 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000368809195 387013302 /nfs/dbraw/zinc/01/33/02/387013302.db2.gz HGOBHIXJJHWXJY-NEPJUHHUSA-N 1 0 213.321 1.258 10 0 BDAERO CCSCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398890516 387013715 /nfs/dbraw/zinc/01/37/15/387013715.db2.gz ZHGNPMPCICJZSD-SRVKXCTJSA-N 1 0 229.389 1.832 10 0 BDAERO C[C@]1(CNC(=O)N2CC[C@@H](F)C2)CCC[NH2+]C1 ZINC000334943752 387022020 /nfs/dbraw/zinc/02/20/20/387022020.db2.gz IMGCQDVWTIHIFF-PWSUYJOCSA-N 1 0 243.326 1.130 10 0 BDAERO CC(C)c1cc(NCC[C@H](C)[NH3+])ncn1 ZINC000063171371 134524320 /nfs/dbraw/zinc/52/43/20/134524320.db2.gz RTDUSGPJFUJAML-VIFPVBQESA-N 1 0 208.309 1.749 10 0 BDAERO [NH3+]C1(Cc2ccc(Cl)s2)COC1 ZINC000575458136 387024874 /nfs/dbraw/zinc/02/48/74/387024874.db2.gz PHYGSNNJPVYYIS-UHFFFAOYSA-N 1 0 203.694 1.672 10 0 BDAERO OC[C@H]1C[C@H](F)C[N@@H+]1CC1CC(F)(F)C1 ZINC000336255940 387087881 /nfs/dbraw/zinc/08/78/81/387087881.db2.gz DLICTSWFFVASEU-DTWKUNHWSA-N 1 0 223.238 1.436 10 0 BDAERO COc1cc([C@]2([NH3+])CCSC2)sn1 ZINC000575468747 387088845 /nfs/dbraw/zinc/08/88/45/387088845.db2.gz AHHHPILYMQSNLO-QMMMGPOBSA-N 1 0 216.331 1.443 10 0 BDAERO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC1 ZINC000228494894 387091191 /nfs/dbraw/zinc/09/11/91/387091191.db2.gz MZXZMLLCYNUEST-YIYPIFLZSA-N 1 0 239.359 1.791 10 0 BDAERO NC(=[NH2+])c1cc(N)ccc1Br ZINC000575468792 387093194 /nfs/dbraw/zinc/09/31/94/387093194.db2.gz MELPVIBLOBPOQB-UHFFFAOYSA-N 1 0 214.066 1.315 10 0 BDAERO CCOCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186500515 387099535 /nfs/dbraw/zinc/09/95/35/387099535.db2.gz MXPQJUBFQBUECU-NSHDSACASA-N 1 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BDAERO CC[C@@]1(C)C[NH2+]C[C@H]1c1cc(C)n(C)n1 ZINC000536951752 387163230 /nfs/dbraw/zinc/16/32/30/387163230.db2.gz VOCQXZKTNIGFHU-JQWIXIFHSA-N 1 0 207.321 1.832 10 0 BDAERO CN(C)c1ccc([C@H](C[NH3+])C2(CO)CCC2)cc1 ZINC000536952113 387164936 /nfs/dbraw/zinc/16/49/36/387164936.db2.gz AXYRXJBSPHFIPA-AWEZNQCLSA-N 1 0 248.370 1.958 10 0 BDAERO COCCn1ccnc1[C@H]1[NH2+]CC12CCCC2 ZINC000536956326 387169293 /nfs/dbraw/zinc/16/92/93/387169293.db2.gz YEBHTPBPTXDUDQ-LLVKDONJSA-N 1 0 235.331 1.734 10 0 BDAERO CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](CCO)C1 ZINC000229430253 387171128 /nfs/dbraw/zinc/17/11/28/387171128.db2.gz WVOCUMFAYZKHQC-QWRGUYRKSA-N 1 0 229.320 1.032 10 0 BDAERO Cc1cc(N2CC[NH+](CC3CC3)CC2)n[nH]1 ZINC000187181142 387174052 /nfs/dbraw/zinc/17/40/52/387174052.db2.gz COJVOUQGPIOSNP-UHFFFAOYSA-N 1 0 220.320 1.250 10 0 BDAERO Cc1cc(N2CC[NH+](CCC(C)C)CC2)n[nH]1 ZINC000187203745 387179630 /nfs/dbraw/zinc/17/96/30/387179630.db2.gz NLVJWFLDAABDTF-UHFFFAOYSA-N 1 0 236.363 1.886 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000229588657 387184565 /nfs/dbraw/zinc/18/45/65/387184565.db2.gz PYLZYGBGVXDMPW-ZIAGYGMSSA-N 1 0 240.391 1.564 10 0 BDAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000120673268 387191878 /nfs/dbraw/zinc/19/18/78/387191878.db2.gz OTZORJCOBWPOOG-LMLFDSFASA-N 1 0 228.336 1.057 10 0 BDAERO O=C1NCCCC[C@@H]1[N@@H+]1CCC2(CCC2)C1 ZINC000120258529 387216809 /nfs/dbraw/zinc/21/68/09/387216809.db2.gz PRSOXTWLDUDUOQ-NSHDSACASA-N 1 0 222.332 1.531 10 0 BDAERO C[C@@H]1CN(C[C@H]2CSCC[NH2+]2)[C@@H]1C ZINC000575591900 387217315 /nfs/dbraw/zinc/21/73/15/387217315.db2.gz MYWUBQAOEVEMIO-BBBLOLIVSA-N 1 0 200.351 1.032 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCCc2ccccc2)C1 ZINC000284754691 387221432 /nfs/dbraw/zinc/22/14/32/387221432.db2.gz ZHFSQMSALIXGRK-LSDHHAIUSA-N 1 0 249.354 1.701 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000284554424 387196352 /nfs/dbraw/zinc/19/63/52/387196352.db2.gz LUTBSCLSYITYRL-LSDHHAIUSA-N 1 0 249.354 1.885 10 0 BDAERO C[C@H]([C@@H]1CCC[NH2+]1)n1cc(Br)cn1 ZINC000575484197 387198126 /nfs/dbraw/zinc/19/81/26/387198126.db2.gz XSTKFVDHCAJFSS-APPZFPTMSA-N 1 0 244.136 1.959 10 0 BDAERO CC[C@@H]1COC[C@@H]1NC1=[NH+]CCS1 ZINC000575484352 387199328 /nfs/dbraw/zinc/19/93/28/387199328.db2.gz IGIPNCLVKVDVEO-SFYZADRCSA-N 1 0 200.307 1.104 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@H]1C[C@H]1C ZINC000321885733 387310323 /nfs/dbraw/zinc/31/03/23/387310323.db2.gz KLAJLQLTFPJDRK-NMUGVGKYSA-N 1 0 210.321 1.288 10 0 BDAERO [NH3+][C@@H]1CC[C@@](F)(Cc2ccns2)C1 ZINC000575489708 387262527 /nfs/dbraw/zinc/26/25/27/387262527.db2.gz IGFYYNWWLZAORI-APPZFPTMSA-N 1 0 200.282 1.905 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1cscc1Br ZINC000575491099 387277092 /nfs/dbraw/zinc/27/70/92/387277092.db2.gz BWLLAAZDTKLNTQ-CLZZGJSISA-N 1 0 236.134 1.891 10 0 BDAERO CO[C@@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121091838 387293595 /nfs/dbraw/zinc/29/35/95/387293595.db2.gz MAIKWYZSRVJRDZ-NSHDSACASA-N 1 0 240.347 1.108 10 0 BDAERO CC(C)CCOCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392932977 387303032 /nfs/dbraw/zinc/30/30/32/387303032.db2.gz PZODJFJYLMKHMD-VXGBXAGGSA-N 1 0 242.363 1.306 10 0 BDAERO CCO[C@@H]1C[C@@H]([N@H+](C)CC(N)=O)C12CCCC2 ZINC000121156146 387303928 /nfs/dbraw/zinc/30/39/28/387303928.db2.gz VZNJVFJXLUUFMB-GHMZBOCLSA-N 1 0 240.347 1.141 10 0 BDAERO CNNc1cc(Br)nc(C)[nH+]1 ZINC000575599609 387354397 /nfs/dbraw/zinc/35/43/97/387354397.db2.gz WGQFCIGPHHAVKT-UHFFFAOYSA-N 1 0 217.070 1.094 10 0 BDAERO CC[NH2+][C@@H]1COC2(C1)CCSCC2 ZINC000575511089 387384105 /nfs/dbraw/zinc/38/41/05/387384105.db2.gz LJTHEHOGICDLJI-VIFPVBQESA-N 1 0 201.335 1.651 10 0 BDAERO C[NH2+][C@@H]1CCCN([C@@H](C)C(F)(F)F)C1 ZINC000306555391 387343415 /nfs/dbraw/zinc/34/34/15/387343415.db2.gz LSFHLHQNAXROSY-JGVFFNPUSA-N 1 0 210.243 1.621 10 0 BDAERO [NH3+]Cc1csc(N2CC[C@@H](F)C2)n1 ZINC000575517899 387433272 /nfs/dbraw/zinc/43/32/72/387433272.db2.gz OASIPERPYVMDEH-ZCFIWIBFSA-N 1 0 201.270 1.150 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N1CC[C@H](F)C1 ZINC000575518532 387440026 /nfs/dbraw/zinc/44/00/26/387440026.db2.gz YEKDDRHIXDFIPG-NSHDSACASA-N 1 0 221.279 1.755 10 0 BDAERO C[C@@H]1COC[C@H](C)N1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000516087804 387457361 /nfs/dbraw/zinc/45/73/61/387457361.db2.gz BRWGUNQMVZFPRQ-GRYCIOLGSA-N 1 0 240.347 1.012 10 0 BDAERO [NH3+]C[C@@H]1CCN1[C@H]1CCCSCC1 ZINC000575513656 387386799 /nfs/dbraw/zinc/38/67/99/387386799.db2.gz DRKRHAOHQPLIMA-UWVGGRQHSA-N 1 0 200.351 1.305 10 0 BDAERO Cc1nnc2c(NCCC[NH2+]C(C)C)nccn12 ZINC000515622107 387402876 /nfs/dbraw/zinc/40/28/76/387402876.db2.gz VSPMIZHMESWZJR-UHFFFAOYSA-N 1 0 248.334 1.233 10 0 BDAERO C[NH+](C)C[C@H]1CN(C/C=C/Cl)CCO1 ZINC000105927244 387527574 /nfs/dbraw/zinc/52/75/74/387527574.db2.gz OKDQNGHQRGYQHM-FSIBCCDJSA-N 1 0 218.728 1.001 10 0 BDAERO C[C@@H]1CN(C/C=C/Cl)C[C@H](C)[C@H]1[NH3+] ZINC000575526852 387530516 /nfs/dbraw/zinc/53/05/16/387530516.db2.gz ZSEOENUUHBVPGT-LNVBCAAZSA-N 1 0 202.729 1.654 10 0 BDAERO C[C@@]1(C[C@@H]2CCCO2)[NH2+]CCCS1 ZINC000575530046 387537930 /nfs/dbraw/zinc/53/79/30/387537930.db2.gz AZMALKIIJFTJHZ-VHSXEESVSA-N 1 0 201.335 1.998 10 0 BDAERO CC(C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000396783847 387490122 /nfs/dbraw/zinc/49/01/22/387490122.db2.gz ORODBYCKYZMNJK-FRRDWIJNSA-N 1 0 238.375 1.879 10 0 BDAERO CC(C)C1([NH2+]CC(=O)Nc2nncs2)CC1 ZINC000293169567 387587866 /nfs/dbraw/zinc/58/78/66/387587866.db2.gz WBBOLORIUZVYFZ-UHFFFAOYSA-N 1 0 240.332 1.255 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000124105888 387605023 /nfs/dbraw/zinc/60/50/23/387605023.db2.gz CRHAVRLUMUVYKF-CHWSQXEVSA-N 1 0 248.374 1.406 10 0 BDAERO Cc1cc(C[N@H+]2CCC[C@H](O)[C@H]2C)ccn1 ZINC000527540714 387611270 /nfs/dbraw/zinc/61/12/70/387611270.db2.gz VFNMIPKOISSYNL-YPMHNXCESA-N 1 0 220.316 1.735 10 0 BDAERO C[C@@H]1CS[C@](C)(C[C@@H]2CCOC2)[NH2+]1 ZINC000575534507 387556394 /nfs/dbraw/zinc/55/63/94/387556394.db2.gz XBYRRKVNSZCHDC-KXUCPTDWSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]1C[NH2+][C@](C)(C[C@H]2CCCO2)S1 ZINC000575534774 387575448 /nfs/dbraw/zinc/57/54/48/387575448.db2.gz YMQMAJAHBHDJQD-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]1CC[C@H](NC2=[NH+]CCS2)CS1 ZINC000575535109 387575529 /nfs/dbraw/zinc/57/55/29/387575529.db2.gz RSUBVTBMPBERRD-SFYZADRCSA-N 1 0 216.375 1.963 10 0 BDAERO C[C@@H]1CC[C@@]2(C[C@]2(C[NH3+])CO)CS1 ZINC000575534850 387575561 /nfs/dbraw/zinc/57/55/61/387575561.db2.gz NTEBAPZENFRSOW-BBBLOLIVSA-N 1 0 201.335 1.229 10 0 BDAERO C[C@H]1SCCC[C@@H]1[NH2+]C1CSC1 ZINC000575545080 387627968 /nfs/dbraw/zinc/62/79/68/387627968.db2.gz IBOIQEIMHQHDNR-APPZFPTMSA-N 1 0 203.376 1.976 10 0 BDAERO CC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)C(C)C ZINC000042586189 387634357 /nfs/dbraw/zinc/63/43/57/387634357.db2.gz GUNXSNDCAVSBAW-LLVKDONJSA-N 1 0 227.352 1.554 10 0 BDAERO Cc1[nH+]ccc(NC2CSC2)c1Cl ZINC000575550131 387641995 /nfs/dbraw/zinc/64/19/95/387641995.db2.gz PIAUIGRTFCPYSD-UHFFFAOYSA-N 1 0 214.721 1.993 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1C1CSC1 ZINC000575550200 387644180 /nfs/dbraw/zinc/64/41/80/387644180.db2.gz QFQSXXKWYAMUGE-RKDXNWHRSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@H]1C[NH2+]C(C)(C)CN1C1CSC1 ZINC000575549729 387647461 /nfs/dbraw/zinc/64/74/61/387647461.db2.gz MHKQLQLFZFUTPV-QMMMGPOBSA-N 1 0 200.351 1.174 10 0 BDAERO CO[C@@H]1CCCC[C@]12[NH2+]C[C@H](C)S2 ZINC000300214030 387651040 /nfs/dbraw/zinc/65/10/40/387651040.db2.gz IVEVHZRTJNGCDU-IVZWLZJFSA-N 1 0 201.335 1.997 10 0 BDAERO CC(C)=CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000306058896 387672133 /nfs/dbraw/zinc/67/21/33/387672133.db2.gz VWUYKBIMCSHXKX-UONOGXRCSA-N 1 0 244.338 1.906 10 0 BDAERO C[C@H]1C[C@@]([NH3+])(c2cnsc2)CS1 ZINC000575572858 387744329 /nfs/dbraw/zinc/74/43/29/387744329.db2.gz QQLRBDLLSPIXOB-XPUUQOCRSA-N 1 0 200.332 1.823 10 0 BDAERO CC[C@H]1C[N@H+](CCCF)CCN1CCOC ZINC000128331247 387745121 /nfs/dbraw/zinc/74/51/21/387745121.db2.gz IZFDOQHHOHLYBO-LBPRGKRZSA-N 1 0 232.343 1.389 10 0 BDAERO C[C@@H]1CSC[C@]1([NH3+])Cc1nccs1 ZINC000575560994 387698446 /nfs/dbraw/zinc/69/84/46/387698446.db2.gz MHHGBTODXRCLJD-VXNVDRBHSA-N 1 0 214.359 1.766 10 0 BDAERO Brc1ncccc1NCC1C[NH2+]C1 ZINC000575560513 387699585 /nfs/dbraw/zinc/69/95/85/387699585.db2.gz USAZNXPCJMMJMZ-UHFFFAOYSA-N 1 0 242.120 1.475 10 0 BDAERO C[C@@H]1CSC[C@@]1([NH3+])c1cncs1 ZINC000575562327 387703533 /nfs/dbraw/zinc/70/35/33/387703533.db2.gz YTBWMSSYNUAGIN-SVRRBLITSA-N 1 0 200.332 1.680 10 0 BDAERO CC[C@@H](CO)[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045168806 387705520 /nfs/dbraw/zinc/70/55/20/387705520.db2.gz JOVJITOWHUMHFX-SKDRFNHKSA-N 1 0 239.363 1.941 10 0 BDAERO [NH3+][C@@]1(Cc2ccns2)CCSC1 ZINC000575564080 387706505 /nfs/dbraw/zinc/70/65/05/387706505.db2.gz BIHKFWIUVMFRNQ-MRVPVSSYSA-N 1 0 200.332 1.520 10 0 BDAERO [NH3+][C@]1(Cc2ccns2)CCSC1 ZINC000575564081 387706793 /nfs/dbraw/zinc/70/67/93/387706793.db2.gz BIHKFWIUVMFRNQ-QMMMGPOBSA-N 1 0 200.332 1.520 10 0 BDAERO Cc1nc(N(C)C2CC([NH3+])C2)sc1C ZINC000306804669 387711559 /nfs/dbraw/zinc/71/15/59/387711559.db2.gz YJASFRFHYGPQMB-UHFFFAOYSA-N 1 0 211.334 1.686 10 0 BDAERO Cn1c(Cl)cnc1CC1([NH3+])CSC1 ZINC000575566967 387733450 /nfs/dbraw/zinc/73/34/50/387733450.db2.gz VUIPOVPMNUWECH-UHFFFAOYSA-N 1 0 217.725 1.060 10 0 BDAERO Fc1cccc(CCN[C@@H]2CC[NH2+]C2)c1F ZINC000422958586 387812358 /nfs/dbraw/zinc/81/23/58/387812358.db2.gz PNWVHXXKLXDJBB-SNVBAGLBSA-N 1 0 226.270 1.459 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CN(c2ncccc2Cl)CCO1 ZINC000169205719 387793077 /nfs/dbraw/zinc/79/30/77/387793077.db2.gz DLNTXDHSVGBLLS-PSASIEDQSA-N 1 0 241.722 1.287 10 0 BDAERO COc1cc([C@@](C)(F)C[NH3+])cc(OC)c1OC ZINC000575623135 387806686 /nfs/dbraw/zinc/80/66/86/387806686.db2.gz BWMBUGKPASKCHZ-LBPRGKRZSA-N 1 0 243.278 1.856 10 0 BDAERO Cc1c(C[NH2+]C[C@H](C)N(C)C2CC2)cnn1C ZINC000162009169 387810849 /nfs/dbraw/zinc/81/08/49/387810849.db2.gz LJXPANPSQDRCCL-JTQLQIEISA-N 1 0 236.363 1.301 10 0 BDAERO C[C@@H](CC[NH3+])Nc1ccc(OC(F)F)cn1 ZINC000328107643 387873530 /nfs/dbraw/zinc/87/35/30/387873530.db2.gz XAYZBDQZCZPRAK-ZETCQYMHSA-N 1 0 231.246 1.832 10 0 BDAERO C[C@@H]1CN(CC[N@@H+]2CCS[C@@H](C)C2)CCO1 ZINC000248999398 387839942 /nfs/dbraw/zinc/83/99/42/387839942.db2.gz HDOFFEDWHQBWQM-NEPJUHHUSA-N 1 0 244.404 1.144 10 0 BDAERO Cc1cc(C)c(OCC[C@H]([NH3+])CO)c(C)c1 ZINC000071531349 177869821 /nfs/dbraw/zinc/86/98/21/177869821.db2.gz CFHTWLQQKBJYLR-LBPRGKRZSA-N 1 0 223.316 1.700 10 0 BDAERO Cc1cc(C)c(N2C[C@H](C[NH3+])CC2=O)c(C)c1 ZINC000019669500 177865238 /nfs/dbraw/zinc/86/52/38/177865238.db2.gz VGANRTRUKOCWKZ-LBPRGKRZSA-N 1 0 232.327 1.923 10 0 BDAERO CN1CCO[C@H](CNC(=O)CC2CCCC2)C1 ZINC000194633617 387887536 /nfs/dbraw/zinc/88/75/36/387887536.db2.gz LDQDOXNZJXNBPG-GFCCVEGCSA-N 1 0 240.347 1.014 10 0 BDAERO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC000152773633 387887507 /nfs/dbraw/zinc/88/75/07/387887507.db2.gz NKZAYGQLBJCHHV-NRUUGDAUSA-N 1 0 234.299 1.505 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195090170 387905430 /nfs/dbraw/zinc/90/54/30/387905430.db2.gz MGLGLZRFQYUOMG-UTUOFQBUSA-N 1 0 222.332 1.339 10 0 BDAERO Cc1cc(C)c(C)c(OCCN2CC[NH2+]CC2)c1 ZINC000043500241 177854133 /nfs/dbraw/zinc/85/41/33/177854133.db2.gz OMELXEWKHTYUQG-UHFFFAOYSA-N 1 0 248.370 1.896 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000195518166 387921891 /nfs/dbraw/zinc/92/18/91/387921891.db2.gz MOSMYQVQCLSVRT-JTQLQIEISA-N 1 0 209.293 1.652 10 0 BDAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1cnn(C)c1 ZINC000396646504 387927820 /nfs/dbraw/zinc/92/78/20/387927820.db2.gz CGOSDLDIDVUVIE-HOSYDEDBSA-N 1 0 222.336 1.211 10 0 BDAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnc(F)c1 ZINC000237816544 387928772 /nfs/dbraw/zinc/92/87/72/387928772.db2.gz YCJVBCJPEYWYPB-ZACCUICWSA-N 1 0 249.289 1.234 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000237875008 387928846 /nfs/dbraw/zinc/92/88/46/387928846.db2.gz VFULEHBQDASHLY-NEPJUHHUSA-N 1 0 236.359 1.907 10 0 BDAERO O=c1cc(-c2ccccc2)cc2n1CC[NH2+]2 ZINC000101169465 387942599 /nfs/dbraw/zinc/94/25/99/387942599.db2.gz CWOWGQFIFRQBJY-UHFFFAOYSA-N 1 0 212.252 1.941 10 0 BDAERO CO[C@@H]1CCC[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000245950845 387995688 /nfs/dbraw/zinc/99/56/88/387995688.db2.gz XARZFOPETNWHAJ-VHDGCEQUSA-N 1 0 247.338 1.756 10 0 BDAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C)O2)C1 ZINC000245953766 387997057 /nfs/dbraw/zinc/99/70/57/387997057.db2.gz BPRDLICOHFZPBB-QJPTWQEYSA-N 1 0 240.347 1.012 10 0 BDAERO CC[C@@H](C)C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000246182845 388017093 /nfs/dbraw/zinc/01/70/93/388017093.db2.gz HEZIIFSSIWQQOR-OLZOCXBDSA-N 1 0 228.380 1.685 10 0 BDAERO CCCCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1C)C1CC1 ZINC000082559506 388037301 /nfs/dbraw/zinc/03/73/01/388037301.db2.gz IOIHUQDXXNKLHE-CMPLNLGQSA-N 1 0 224.348 1.633 10 0 BDAERO CSC[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246276107 388027119 /nfs/dbraw/zinc/02/71/19/388027119.db2.gz ROIFUDXQXZKCCU-MNOVXSKESA-N 1 0 242.388 1.292 10 0 BDAERO CC1(C)CN(C[C@H]2CSCC[NH2+]2)C1 ZINC000306407000 388052750 /nfs/dbraw/zinc/05/27/50/388052750.db2.gz WQOPHPLLAJLMQF-VIFPVBQESA-N 1 0 200.351 1.033 10 0 BDAERO [NH3+]CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000083888581 388064601 /nfs/dbraw/zinc/06/46/01/388064601.db2.gz UTOMSACJPNVHSY-NSHDSACASA-N 1 0 247.323 1.307 10 0 BDAERO Cc1cccnc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000084381656 388076640 /nfs/dbraw/zinc/07/66/40/388076640.db2.gz UAZASHBNHDGWFB-JTQLQIEISA-N 1 0 219.288 1.328 10 0 BDAERO Cc1cccnc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085009539 388082746 /nfs/dbraw/zinc/08/27/46/388082746.db2.gz OMSYMLHQVZGQIF-UWVGGRQHSA-N 1 0 219.288 1.456 10 0 BDAERO Cc1cccnc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085009542 388083212 /nfs/dbraw/zinc/08/32/12/388083212.db2.gz OMSYMLHQVZGQIF-NXEZZACHSA-N 1 0 219.288 1.456 10 0 BDAERO C[NH2+][C@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000071508415 388096598 /nfs/dbraw/zinc/09/65/98/388096598.db2.gz NBPRBKHRAWWHFV-MRVPVSSYSA-N 1 0 202.257 1.959 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC[C@@H](C)O ZINC000086189934 388100893 /nfs/dbraw/zinc/10/08/93/388100893.db2.gz TVJPSJPXZROOCE-CHWSQXEVSA-N 1 0 228.380 1.564 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOC ZINC000086930743 388111490 /nfs/dbraw/zinc/11/14/90/388111490.db2.gz FHJJFYYLTWPDRG-CHWSQXEVSA-N 1 0 226.364 1.582 10 0 BDAERO CCC[C@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)CCO1 ZINC000646274091 388174668 /nfs/dbraw/zinc/17/46/68/388174668.db2.gz XHSJSHWLJUMKLJ-RYUDHWBXSA-N 1 0 242.363 1.387 10 0 BDAERO CC(C)C[S@](=O)[C@H]1CCC(C)(C)[C@H]1[NH3+] ZINC000250556910 388177483 /nfs/dbraw/zinc/17/74/83/388177483.db2.gz DJPWXYKEPVJBHE-BHDSKKPTSA-N 1 0 217.378 1.907 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089447 388140326 /nfs/dbraw/zinc/14/03/26/388140326.db2.gz ULPBRMHKHIBEAM-REWJHTLYSA-N 1 0 241.375 1.942 10 0 BDAERO CC[C@](C)(CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)OC ZINC000323238930 388255730 /nfs/dbraw/zinc/25/57/30/388255730.db2.gz QEPFZGUIXHVNKW-MELADBBJSA-N 1 0 240.391 1.970 10 0 BDAERO O=C(Cc1cncs1)[C@@H]1CCCCC[NH2+]1 ZINC000226521378 388352019 /nfs/dbraw/zinc/35/20/19/388352019.db2.gz QKIZKQUWQFRWQB-JTQLQIEISA-N 1 0 224.329 1.787 10 0 BDAERO C[C@@H]1CS[C@](C)([C@H]2CCC[NH2+]C2)N1 ZINC000575518235 388355352 /nfs/dbraw/zinc/35/53/52/388355352.db2.gz RJTGZRDOQQLQQD-KXUCPTDWSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@@H]1CC[C@@H](C[NH3+])N(C(=O)C(F)(F)F)[C@@H]1C ZINC000575519440 388356246 /nfs/dbraw/zinc/35/62/46/388356246.db2.gz VQHQKTYUNGTZIA-PRJMDXOYSA-N 1 0 238.253 1.523 10 0 BDAERO Cn1nccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000305734865 388374310 /nfs/dbraw/zinc/37/43/10/388374310.db2.gz PCRXUORBVVUEDD-JSGCOSHPSA-N 1 0 249.358 1.547 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000294112214 388395286 /nfs/dbraw/zinc/39/52/86/388395286.db2.gz NIEFXNRWSJEMIR-LLVKDONJSA-N 1 0 231.303 1.123 10 0 BDAERO Cc1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C)o1 ZINC000294716744 388403509 /nfs/dbraw/zinc/40/35/09/388403509.db2.gz CHFWTFMVNPDKLK-JQWIXIFHSA-N 1 0 209.289 1.933 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C(C)(C)CN(C)C ZINC000308639041 388445642 /nfs/dbraw/zinc/44/56/42/388445642.db2.gz YJGJAWQHOYZBOK-LBPRGKRZSA-N 1 0 246.395 1.094 10 0 BDAERO CN(C)CC(C)(C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000308638610 388445682 /nfs/dbraw/zinc/44/56/82/388445682.db2.gz VFBDKERQFBBINU-LLVKDONJSA-N 1 0 246.395 1.092 10 0 BDAERO Cc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)n1 ZINC000335586396 388451486 /nfs/dbraw/zinc/45/14/86/388451486.db2.gz NUNWSRRNUINYGH-ZWNOBZJWSA-N 1 0 220.316 1.593 10 0 BDAERO Cc1cnccc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000335595622 388451507 /nfs/dbraw/zinc/45/15/07/388451507.db2.gz FGPDODVZUPFFDU-MNOVXSKESA-N 1 0 233.315 1.139 10 0 BDAERO CCc1nocc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000378669688 388481027 /nfs/dbraw/zinc/48/10/27/388481027.db2.gz IZOCXPNMZBQBAZ-GHMZBOCLSA-N 1 0 224.304 1.630 10 0 BDAERO C[C@H](C[C@H](C)[NH3+])Nc1ccnc(N(C)C)n1 ZINC000165731939 388410343 /nfs/dbraw/zinc/41/03/43/388410343.db2.gz ZTJJLXWWAVVRHG-DTWKUNHWSA-N 1 0 223.324 1.080 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000328371081 388413009 /nfs/dbraw/zinc/41/30/09/388413009.db2.gz SDRSFUAJRAXDRK-STQMWFEESA-N 1 0 226.364 1.485 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2CCCSC2)c1 ZINC000134810493 388479024 /nfs/dbraw/zinc/47/90/24/388479024.db2.gz DVYHPFRZSVHUNI-LLVKDONJSA-N 1 0 225.361 1.677 10 0 BDAERO C[C@@H]([NH3+])c1cncc(Br)c1 ZINC000040543355 388420811 /nfs/dbraw/zinc/42/08/11/388420811.db2.gz JVXAQAZTSXAUQX-RXMQYKEDSA-N 1 0 201.067 1.864 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC000307483690 388423384 /nfs/dbraw/zinc/42/33/84/388423384.db2.gz AVCYAXOJAYKPCH-GARJFASQSA-N 1 0 201.285 1.439 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@H]2CCCC23CC3)C1 ZINC000573138494 388424271 /nfs/dbraw/zinc/42/42/71/388424271.db2.gz MOLSWRQBMIGHDT-RYUDHWBXSA-N 1 0 224.348 1.239 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1ccccn1 ZINC000298028286 388433973 /nfs/dbraw/zinc/43/39/73/388433973.db2.gz BWIYUMKEWFPSKM-WCQYABFASA-N 1 0 220.316 1.469 10 0 BDAERO [NH3+][C@@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000070460199 388436806 /nfs/dbraw/zinc/43/68/06/388436806.db2.gz ZOEMEIKMWNHCMJ-LLVKDONJSA-N 1 0 246.289 1.753 10 0 BDAERO [NH3+]Cc1cnnn1-c1cc(F)cc(F)c1 ZINC000070460940 388437283 /nfs/dbraw/zinc/43/72/83/388437283.db2.gz RXLCLSKBHMJMBG-UHFFFAOYSA-N 1 0 210.187 1.004 10 0 BDAERO CC[C@H]([NH3+])CN1C[C@H](C)OC(C)(C)C1 ZINC000041681584 388439091 /nfs/dbraw/zinc/43/90/91/388439091.db2.gz YPWIAEINWYWKLM-UWVGGRQHSA-N 1 0 200.326 1.223 10 0 BDAERO CC(C)C1([NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000339518664 388485464 /nfs/dbraw/zinc/48/54/64/388485464.db2.gz YELMKBFYRSNTSO-LBPRGKRZSA-N 1 0 226.364 1.220 10 0 BDAERO C[C@H](CCO)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000397781588 388498621 /nfs/dbraw/zinc/49/86/21/388498621.db2.gz OXFMQEMKUSHTHX-WUHRBBMRSA-N 1 0 241.375 1.798 10 0 BDAERO CCCCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000135556643 388500691 /nfs/dbraw/zinc/50/06/91/388500691.db2.gz SUXRKGSVTJYWCA-GFCCVEGCSA-N 1 0 241.379 1.912 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccsc2)C1 ZINC000343986588 388503914 /nfs/dbraw/zinc/50/39/14/388503914.db2.gz REZRZITUOIXHEF-QWRGUYRKSA-N 1 0 227.329 1.330 10 0 BDAERO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000378788665 388504009 /nfs/dbraw/zinc/50/40/09/388504009.db2.gz MJPFJSKCVYZQEW-GWOFURMSSA-N 1 0 210.321 1.289 10 0 BDAERO CCSCC[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000344868265 388510079 /nfs/dbraw/zinc/51/00/79/388510079.db2.gz VPUIACQHGIDLLQ-RKDXNWHRSA-N 1 0 207.314 1.144 10 0 BDAERO CN(c1ncc(C[NH3+])s1)[C@@H]1CCSC1 ZINC000054895332 388595140 /nfs/dbraw/zinc/59/51/40/388595140.db2.gz SEEWNAQHIWTVFQ-SSDOTTSWSA-N 1 0 229.374 1.544 10 0 BDAERO O=C1Nc2ccccc2C[N@@H+]2CCC[C@@H]12 ZINC000028956383 388610717 /nfs/dbraw/zinc/61/07/17/388610717.db2.gz UPCFVLAXIRKPNN-NSHDSACASA-N 1 0 202.257 1.603 10 0 BDAERO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000365719940 388564755 /nfs/dbraw/zinc/56/47/55/388564755.db2.gz SMKVEDPKRMGPQI-NWBUJAPZSA-N 1 0 241.375 1.797 10 0 BDAERO COCCN1CC[N@@H+]([C@@H]2C=CCCC2)C[C@@H]1C ZINC000246215297 388623430 /nfs/dbraw/zinc/62/34/30/388623430.db2.gz BXVPQJYLUNJPCG-UONOGXRCSA-N 1 0 238.375 1.748 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N(C)C(C)C ZINC000190828902 388657105 /nfs/dbraw/zinc/65/71/05/388657105.db2.gz FKWBYEDPUYIECK-LBPRGKRZSA-N 1 0 241.379 1.863 10 0 BDAERO c1cn2c(n1)CC[C@H](C[NH2+]CC1CCOCC1)C2 ZINC000328656946 388739306 /nfs/dbraw/zinc/73/93/06/388739306.db2.gz ZVKBSRXMQXPFBC-CYBMUJFWSA-N 1 0 249.358 1.462 10 0 BDAERO C[NH2+]C[C@H]1CCN(C)[C@H]1c1cccnc1 ZINC000250721347 388700893 /nfs/dbraw/zinc/70/08/93/388700893.db2.gz IHKBPCQCLHTOOZ-NEPJUHHUSA-N 1 0 205.305 1.294 10 0 BDAERO C[N@@H+]1CCC[C@H]1[C@](C)(O)c1ccc(O)cc1 ZINC000399817705 388702185 /nfs/dbraw/zinc/70/21/85/388702185.db2.gz NCOJGMWSQHQPRG-QWHCGFSZSA-N 1 0 221.300 1.694 10 0 BDAERO C[NH2+]C[C@H]1C[C@H](F)CN1Cc1cccs1 ZINC000396467100 388702740 /nfs/dbraw/zinc/70/27/40/388702740.db2.gz LZSOOHQKHRQAII-VHSXEESVSA-N 1 0 228.336 1.880 10 0 BDAERO 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135113750 /nfs/dbraw/zinc/11/37/50/135113750.db2.gz HMBRMCMQFGXJIS-RWMBFGLXSA-N 1 0 227.348 1.384 10 0 BDAERO C[C@H](O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252855397 135113908 /nfs/dbraw/zinc/11/39/08/135113908.db2.gz HMBRMCMQFGXJIS-AVGNSLFASA-N 1 0 227.348 1.384 10 0 BDAERO CCONC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000253187887 135123632 /nfs/dbraw/zinc/12/36/32/135123632.db2.gz CYUYMPQCYFSUJE-QWRGUYRKSA-N 1 0 241.335 1.206 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]CCC[S@](C)=O)C1 ZINC000253195654 135123875 /nfs/dbraw/zinc/12/38/75/135123875.db2.gz RXGSPPYXLOHKCO-GYSYKLTISA-N 1 0 217.378 1.923 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]CCC[S@](C)=O)C1 ZINC000253195655 135124059 /nfs/dbraw/zinc/12/40/59/135124059.db2.gz RXGSPPYXLOHKCO-SUNKGSAMSA-N 1 0 217.378 1.923 10 0 BDAERO C[C@@H](CCCO)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000087358685 135125162 /nfs/dbraw/zinc/12/51/62/135125162.db2.gz PCNJCHWIMLXXSJ-YFKTTZPYSA-N 1 0 227.348 1.551 10 0 BDAERO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000253354860 135127117 /nfs/dbraw/zinc/12/71/17/135127117.db2.gz MULLOUSDGBOQSW-BPLDGKMQSA-N 1 0 245.322 1.927 10 0 BDAERO C[C@H]1CCN(Cc2nccs2)[C@H](C[NH3+])C1 ZINC000261531503 135160504 /nfs/dbraw/zinc/16/05/04/135160504.db2.gz GUIJTJGGBIXJEF-UWVGGRQHSA-N 1 0 225.361 1.702 10 0 BDAERO C[C@@H]1CCCN(C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000087655055 135162127 /nfs/dbraw/zinc/16/21/27/135162127.db2.gz NFXYMIWVMBCHAM-MNOVXSKESA-N 1 0 225.336 1.037 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCS1 ZINC000087668722 135163431 /nfs/dbraw/zinc/16/34/31/135163431.db2.gz SEUVUNPWHQJHEG-IVZWLZJFSA-N 1 0 228.361 1.126 10 0 BDAERO Cc1ccnc(N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000261533652 135164813 /nfs/dbraw/zinc/16/48/13/135164813.db2.gz JFRMTPFSQBBFEW-ONGXEEELSA-N 1 0 220.320 1.349 10 0 BDAERO Cc1ccc(CN2CC[C@H](C)C[C@H]2C[NH3+])nc1 ZINC000261541280 135181090 /nfs/dbraw/zinc/18/10/90/135181090.db2.gz JIXOSYYUDOKCPV-FZMZJTMJSA-N 1 0 233.359 1.949 10 0 BDAERO C[C@@H]1CCN(Cc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000261544447 135185087 /nfs/dbraw/zinc/18/50/87/135185087.db2.gz YDZSYFWUFORZKW-YPMHNXCESA-N 1 0 234.343 1.951 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NC1CC[NH2+]CC1 ZINC000261549516 135188083 /nfs/dbraw/zinc/18/80/83/135188083.db2.gz OTTHBDODRVQVHP-JTQLQIEISA-N 1 0 212.337 1.537 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1nccc(C(C)(C)C)n1 ZINC000261554198 135193677 /nfs/dbraw/zinc/19/36/77/135193677.db2.gz OPWLCYVFERZVJR-JTQLQIEISA-N 1 0 234.347 1.572 10 0 BDAERO C[C@H](C[NH3+])N(C)Cc1ccn(C(F)F)n1 ZINC000261556551 135196859 /nfs/dbraw/zinc/19/68/59/135196859.db2.gz WBGZDLHNYOTHBO-SSDOTTSWSA-N 1 0 218.251 1.057 10 0 BDAERO CC1(C)CN(C(=O)c2ccoc2)CC[C@@H]1[NH3+] ZINC000261561199 135202144 /nfs/dbraw/zinc/20/21/44/135202144.db2.gz ALROTPGKEANLSP-JTQLQIEISA-N 1 0 222.288 1.479 10 0 BDAERO CC1(C)CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC[C@H]1[NH3+] ZINC000261562528 135204638 /nfs/dbraw/zinc/20/46/38/135204638.db2.gz WJGVMFBXCMBBIF-KXNHARMFSA-N 1 0 236.359 1.618 10 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RDQUMQPTINBFQJ-HLTSFMKQSA-N 1 0 248.330 1.243 10 0 BDAERO CS[C@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261584186 135224820 /nfs/dbraw/zinc/22/48/20/135224820.db2.gz PNIUBLKUOHFDEX-RKDXNWHRSA-N 1 0 230.377 1.324 10 0 BDAERO Cc1cc(C)c(C(=O)NC(C)(C)C[NH3+])[nH]1 ZINC000261585457 135226765 /nfs/dbraw/zinc/22/67/65/135226765.db2.gz QJRBHCDOGBXOML-UHFFFAOYSA-N 1 0 209.293 1.099 10 0 BDAERO C[C@@H](C[NH3+])C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261587646 135228438 /nfs/dbraw/zinc/22/84/38/135228438.db2.gz RXEZHARFVUHHII-GARJFASQSA-N 1 0 210.321 1.230 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccccc1 ZINC000261590317 135231384 /nfs/dbraw/zinc/23/13/84/135231384.db2.gz UMMBDQPHYNISHT-PWSUYJOCSA-N 1 0 218.300 1.177 10 0 BDAERO CCC1(CN2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000261592745 135233292 /nfs/dbraw/zinc/23/32/92/135233292.db2.gz WDFUCFBNOLWNOW-LBPRGKRZSA-N 1 0 226.364 1.616 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCC1CC1 ZINC000261594923 135235368 /nfs/dbraw/zinc/23/53/68/135235368.db2.gz 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397968171 /nfs/dbraw/zinc/96/81/71/397968171.db2.gz FGZRSVXKLPSNHU-UTLUCORTSA-N 1 0 201.335 1.853 10 0 BDAERO C[C@@H]([NH2+]CCN1CCOCC1)c1cccs1 ZINC000019954290 397962735 /nfs/dbraw/zinc/96/27/35/397962735.db2.gz NZHKPEWHIYKYPR-LLVKDONJSA-N 1 0 240.372 1.731 10 0 BDAERO CNc1ccc([C@@H]2C[NH2+]CCOC2)cc1 ZINC000616662721 397916589 /nfs/dbraw/zinc/91/65/89/397916589.db2.gz KQVKPXPYWNQQJW-LLVKDONJSA-N 1 0 206.289 1.432 10 0 BDAERO Clc1csc(O[C@@H]2CC[NH2+]C2)n1 ZINC000165379255 397964003 /nfs/dbraw/zinc/96/40/03/397964003.db2.gz CEWNHXQVTSPYMW-RXMQYKEDSA-N 1 0 204.682 1.537 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ncc(Cl)s2)C1 ZINC000306866054 397922502 /nfs/dbraw/zinc/92/25/02/397922502.db2.gz MYCZRGBGQSETGV-ZCFIWIBFSA-N 1 0 217.725 1.913 10 0 BDAERO C[C@H]1C[C@H](N)C[N@@H+]1[C@H]1CCS[C@H]1C ZINC000575592407 397990851 /nfs/dbraw/zinc/99/08/51/397990851.db2.gz RLPISWKGEPOMSZ-XKNYDFJKSA-N 1 0 200.351 1.302 10 0 BDAERO CC(C)[C@@H]([NH3+])c1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000383022212 397995414 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533674595 /nfs/dbraw/zinc/67/45/95/533674595.db2.gz IFQIZTYJFCRVEA-UPJWGTAASA-N 1 0 243.347 1.232 10 0 BDAERO C/C=C\C=C/C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000216716965 398094160 /nfs/dbraw/zinc/09/41/60/398094160.db2.gz KPIYELOGKQVWBB-JTKKVQRISA-N 1 0 208.305 1.187 10 0 BDAERO CC[C@@H]1CS[C@H]([C@H]2CC[C@@H](C)O2)[NH2+]1 ZINC000251386518 398079443 /nfs/dbraw/zinc/07/94/43/398079443.db2.gz XALZUDQNTVWYKX-ZYUZMQFOSA-N 1 0 201.335 1.995 10 0 BDAERO C[N@@H+]1CCCC[C@H]1[C@@H](O)COc1ccccc1 ZINC000584627464 398080144 /nfs/dbraw/zinc/08/01/44/398080144.db2.gz QQNBBEGWAYXFQS-KBPBESRZSA-N 1 0 235.327 1.911 10 0 BDAERO CC(C)C[NH+]1CCC(n2cc(C=O)nn2)CC1 ZINC000409423515 398085379 /nfs/dbraw/zinc/08/53/79/398085379.db2.gz CBBXSQOTMPUSOQ-UHFFFAOYSA-N 1 0 236.319 1.384 10 0 BDAERO CC(C)c1nccc(N[C@@H]2CC[NH2+]C2)n1 ZINC000107201600 322862002 /nfs/dbraw/zinc/86/20/02/322862002.db2.gz BFXRERVMVKJOIV-SECBINFHSA-N 1 0 206.293 1.374 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)[C@H](C)O1 ZINC000384958173 398120805 /nfs/dbraw/zinc/12/08/05/398120805.db2.gz RZOAOGLWWLPUMO-BLFANLJRSA-N 1 0 240.347 1.201 10 0 BDAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cnccn1 ZINC000070024847 398123378 /nfs/dbraw/zinc/12/33/78/398123378.db2.gz DPDHHLSGAMGNQF-NHCYSSNCSA-N 1 0 221.304 1.695 10 0 BDAERO CC(C)(C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000130033475 322863845 /nfs/dbraw/zinc/86/38/45/322863845.db2.gz DLJKVQSHSADVAV-LLVKDONJSA-N 1 0 226.364 1.929 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C(=O)[O-])C2(C1)CC[NH+](C)CC2 ZINC000008698677 167028145 /nfs/dbraw/zinc/02/81/45/167028145.db2.gz RKILODZPRNVTEJ-NSHDSACASA-N 1 0 240.347 1.123 10 0 BDAERO CC(C)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044753699 167037851 /nfs/dbraw/zinc/03/78/51/167037851.db2.gz WVCXTXAEQLCOCY-UHFFFAOYSA-N 1 0 212.337 1.810 10 0 BDAERO CC(C)NC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916201 167068770 /nfs/dbraw/zinc/06/87/70/167068770.db2.gz CSPYIFIKVKTKIN-NEPJUHHUSA-N 1 0 239.363 1.568 10 0 BDAERO CC(C)[NH2+]CCCC(=O)NC[C@H]1CCCCO1 ZINC000042823640 167100050 /nfs/dbraw/zinc/10/00/50/167100050.db2.gz BKNLMDORFJTQGT-GFCCVEGCSA-N 1 0 242.363 1.450 10 0 BDAERO CC(C)[NH2+]CCN1C[C@H](C)OC(C)(C)C1 ZINC000045685030 167106633 /nfs/dbraw/zinc/10/66/33/167106633.db2.gz PTJGKBZFDLICFX-NSHDSACASA-N 1 0 214.353 1.484 10 0 BDAERO CC(C)[NH2+]CCNc1nccn(C(C)C)c1=O ZINC000061768455 167106657 /nfs/dbraw/zinc/10/66/57/167106657.db2.gz UMLZADZFIIVJOC-UHFFFAOYSA-N 1 0 238.335 1.234 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000053302329 167112531 /nfs/dbraw/zinc/11/25/31/167112531.db2.gz DLFJFOXUKNMNDJ-SNVBAGLBSA-N 1 0 239.340 1.556 10 0 BDAERO C[C@@H]1CN(c2ncnc3c2CCCC3)[C@@H](C)C[NH2+]1 ZINC000094872552 487561925 /nfs/dbraw/zinc/56/19/25/487561925.db2.gz CEYJMUQVVBIVTR-MNOVXSKESA-N 1 0 246.358 1.542 10 0 BDAERO Clc1cnccc1NCC[NH2+]C1CC1 ZINC000086839822 487562475 /nfs/dbraw/zinc/56/24/75/487562475.db2.gz RZMICPWPEBKNTK-UHFFFAOYSA-N 1 0 211.696 1.899 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccncc1 ZINC000084447629 322913409 /nfs/dbraw/zinc/91/34/09/322913409.db2.gz ZEBGMYCOEWJAMW-BMQDGWLCSA-N 1 0 206.289 1.503 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CS1 ZINC000086936331 487592039 /nfs/dbraw/zinc/59/20/39/487592039.db2.gz ABMWLNIOKCBKFW-RCWTZXSCSA-N 1 0 215.362 1.631 10 0 BDAERO CC(C)Oc1ccc([C@](C)([NH3+])C(N)=O)cc1 ZINC000037460049 167301776 /nfs/dbraw/zinc/30/17/76/167301776.db2.gz UVMLBGUOUBEZRE-LBPRGKRZSA-N 1 0 222.288 1.133 10 0 BDAERO CC(C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000058261484 167316609 /nfs/dbraw/zinc/31/66/09/167316609.db2.gz KKEIXYDDVLBLPU-UHFFFAOYSA-N 1 0 227.329 1.469 10 0 BDAERO CCn1ccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000305950591 487604293 /nfs/dbraw/zinc/60/42/93/487604293.db2.gz HEBPKWQDJBYZCA-ZJUUUORDSA-N 1 0 236.319 1.230 10 0 BDAERO CC(C)[C@H](C)[N@@H+]1CCCO[C@H](CN)C1 ZINC000306300622 487608085 /nfs/dbraw/zinc/60/80/85/487608085.db2.gz HQJFQLRRLRDYEF-WDEREUQCSA-N 1 0 200.326 1.081 10 0 BDAERO CC(C)SCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000308519920 167325845 /nfs/dbraw/zinc/32/58/45/167325845.db2.gz HDYNVSRDEMHDMO-NSHDSACASA-N 1 0 217.378 1.832 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662667343 409825959 /nfs/dbraw/zinc/82/59/59/409825959.db2.gz XPXWSZUBOFKWHB-NSHDSACASA-N 1 0 212.337 1.810 10 0 BDAERO CC[C@H](NC(=O)CCCC[NH3+])C(C)C ZINC000069733871 409789121 /nfs/dbraw/zinc/78/91/21/409789121.db2.gz RLOKIGJFVJJUQQ-JTQLQIEISA-N 1 0 200.326 1.666 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3C[C@H]3C2)C1 ZINC000662706442 409855985 /nfs/dbraw/zinc/85/59/85/409855985.db2.gz VWTHCAOADSOOEO-FIQHERPVSA-N 1 0 222.332 1.372 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000308790756 409904741 /nfs/dbraw/zinc/90/47/41/409904741.db2.gz IETWSZOTACSHDZ-QWRGUYRKSA-N 1 0 215.337 1.552 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662708767 409861283 /nfs/dbraw/zinc/86/12/83/409861283.db2.gz ZZZRHIZSKWUUNZ-MFKMUULPSA-N 1 0 224.348 1.823 10 0 BDAERO CO[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000662835485 409945956 /nfs/dbraw/zinc/94/59/56/409945956.db2.gz OTKSQLGOVSQJFE-SDDRHHMPSA-N 1 0 240.347 1.141 10 0 BDAERO CC[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000653177449 410151856 /nfs/dbraw/zinc/15/18/56/410151856.db2.gz YDFSNKZYDZLBKF-SRVKXCTJSA-N 1 0 240.347 1.012 10 0 BDAERO Brc1cccc(C2=[NH+]CCN2)c1 ZINC000071532011 166102126 /nfs/dbraw/zinc/10/21/26/166102126.db2.gz NSMYHGSCYFJDKS-UHFFFAOYSA-N 1 0 225.089 1.799 10 0 BDAERO Brc1ccoc1CN1CC[NH2+]CC1 ZINC000096879631 166103129 /nfs/dbraw/zinc/10/31/29/166103129.db2.gz CCYZNFNFGGTLIU-UHFFFAOYSA-N 1 0 245.120 1.447 10 0 BDAERO Brc1ccnc2c1C[NH2+]CC2 ZINC000088190160 166103200 /nfs/dbraw/zinc/10/32/00/166103200.db2.gz GRXWPDYHZGKUHH-UHFFFAOYSA-N 1 0 213.078 1.490 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000309044081 410204899 /nfs/dbraw/zinc/20/48/99/410204899.db2.gz NDXRXRWWLFDCAT-JZRPKSSGSA-N 1 0 210.365 1.961 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NC1(C2CC2)CC1 ZINC000655437097 410260143 /nfs/dbraw/zinc/26/01/43/410260143.db2.gz XFCFYJLQRKHRFH-SNVBAGLBSA-N 1 0 222.332 1.435 10 0 BDAERO CC(C)(C)CNC(=O)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000055162056 166585646 /nfs/dbraw/zinc/58/56/46/166585646.db2.gz HSBZUKJVHMWIRU-MNOVXSKESA-N 1 0 226.364 1.914 10 0 BDAERO Clc1cnc(N2CCC[NH2+]CC2)s1 ZINC000642990093 410692447 /nfs/dbraw/zinc/69/24/47/410692447.db2.gz UQTBYSQFQFBZJO-UHFFFAOYSA-N 1 0 217.725 1.596 10 0 BDAERO CCN1CC[C@@H]([NH2+]CC2(COC)CCC2)C1 ZINC000393376701 410679874 /nfs/dbraw/zinc/67/98/74/410679874.db2.gz LVSJIHIQXMLOAO-GFCCVEGCSA-N 1 0 226.364 1.487 10 0 BDAERO C[N@@H+](C[C@@H]1CCC[C@H](O)C1)C[C@@H]1CCCOC1 ZINC000393819861 410763543 /nfs/dbraw/zinc/76/35/43/410763543.db2.gz AIAXQNKWZHUDCD-RDBSUJKOSA-N 1 0 241.375 1.896 10 0 BDAERO CC(C)CC[NH2+]CC(=O)N(C)C(C)C ZINC000020047223 166856834 /nfs/dbraw/zinc/85/68/34/166856834.db2.gz PMRDJKNRTJMNDH-UHFFFAOYSA-N 1 0 200.326 1.489 10 0 BDAERO CC(C)CC[C@@H](C)[NH2+]CCn1cnccc1=O ZINC000104273050 166892291 /nfs/dbraw/zinc/89/22/91/166892291.db2.gz YZJYMNOTPVSBGK-GFCCVEGCSA-N 1 0 237.347 1.658 10 0 BDAERO COc1nccc(C[NH2+]CC[C@@H]2CCCO2)n1 ZINC000395224844 410842843 /nfs/dbraw/zinc/84/28/43/410842843.db2.gz NRVWXGHXSLHXAY-NSHDSACASA-N 1 0 237.303 1.144 10 0 BDAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCCSCC2)C1 ZINC000308925265 410820872 /nfs/dbraw/zinc/82/08/72/410820872.db2.gz PYGDTRDJVDARCZ-NEPJUHHUSA-N 1 0 229.389 1.976 10 0 BDAERO CC(C)C[NH2+]CCN(C)c1ncnc2nc[nH]c21 ZINC000053692663 167004163 /nfs/dbraw/zinc/00/41/63/167004163.db2.gz KUSSSSMETMBKCS-UHFFFAOYSA-N 1 0 248.334 1.035 10 0 BDAERO CC(C)C[NH2+]CC[C@@H](O)c1cccc(N)c1 ZINC000098124780 167004174 /nfs/dbraw/zinc/00/41/74/167004174.db2.gz PQVPHOHAKMBGJW-CYBMUJFWSA-N 1 0 222.332 1.938 10 0 BDAERO CC(C)C[NH2+][C@H](C(N)=O)c1cccc(O)c1 ZINC000037946212 167013845 /nfs/dbraw/zinc/01/38/45/167013845.db2.gz MKFUKLUTNORVSH-NSHDSACASA-N 1 0 222.288 1.164 10 0 BDAERO CC(C)C[NH2+][C@]1(C(N)=O)CCC[C@@H](C)C1 ZINC000037946105 167015674 /nfs/dbraw/zinc/01/56/74/167015674.db2.gz XJHRORSQWCYRIO-ZYHUDNBSSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccn2)C1 ZINC000155489362 167027099 /nfs/dbraw/zinc/02/70/99/167027099.db2.gz MGEVRMWLWIJOLB-YPMHNXCESA-N 1 0 247.342 1.540 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](n2ncc(Cl)c2N)C1 ZINC000045658290 167028017 /nfs/dbraw/zinc/02/80/17/167028017.db2.gz KCGVCTMPKKTREY-QMMMGPOBSA-N 1 0 228.727 1.774 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccccn2)[C@@H](C)C1 ZINC000155489475 167033613 /nfs/dbraw/zinc/03/36/13/167033613.db2.gz MGEVRMWLWIJOLB-AAEUAGOBSA-N 1 0 247.342 1.540 10 0 BDAERO CC(C)NC(=O)COc1cccc([C@@H](C)[NH3+])c1 ZINC000022165541 167063219 /nfs/dbraw/zinc/06/32/19/167063219.db2.gz GQNRJXQDUVLWRF-SNVBAGLBSA-N 1 0 236.315 1.610 10 0 BDAERO CC(C)NC(=O)[C@@H](CCC[NH3+])c1ccncc1 ZINC000076618252 167082048 /nfs/dbraw/zinc/08/20/48/167082048.db2.gz SLPWKXOTQAFYOH-LBPRGKRZSA-N 1 0 235.331 1.429 10 0 BDAERO CC(C)[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@@H]23 ZINC000039287383 167099390 /nfs/dbraw/zinc/09/93/90/167099390.db2.gz GBTQINHCVZUEAU-SMDDNHRTSA-N 1 0 244.338 1.638 10 0 BDAERO CC(C)[NH2+]CCN(C)CCc1ccncc1 ZINC000044342046 167102880 /nfs/dbraw/zinc/10/28/80/167102880.db2.gz MGRMTOFQKDOMDI-UHFFFAOYSA-N 1 0 221.348 1.554 10 0 BDAERO CC(C)[NH2+]CCN(C)c1nc2ccccc2[nH]1 ZINC000053706864 167103548 /nfs/dbraw/zinc/10/35/48/167103548.db2.gz JZJXYQUPTYDATO-UHFFFAOYSA-N 1 0 232.331 1.997 10 0 BDAERO CC(C)[NH2+]CCNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000054264803 167106832 /nfs/dbraw/zinc/10/68/32/167106832.db2.gz VSSPKWHIOXIHRJ-XQQFMLRXSA-N 1 0 238.375 1.927 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@@]2(C1)CCCOC2 ZINC000309422726 167106890 /nfs/dbraw/zinc/10/68/90/167106890.db2.gz BFIUVIGVWKEMDZ-CYBMUJFWSA-N 1 0 226.364 1.487 10 0 BDAERO CC(C)[NH2+]CCS(=O)(=O)c1cccs1 ZINC000071537028 167108492 /nfs/dbraw/zinc/10/84/92/167108492.db2.gz XEMKSGJLOBPWNI-UHFFFAOYSA-N 1 0 233.358 1.520 10 0 BDAERO CC(C)[NH2+]C[C@@H](C)N1CCOC(C)(C)C1 ZINC000052481732 167112047 /nfs/dbraw/zinc/11/20/47/167112047.db2.gz NMRIKGATBLWKMY-LLVKDONJSA-N 1 0 214.353 1.484 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN1c1cnccn1 ZINC000053693935 167113108 /nfs/dbraw/zinc/11/31/08/167113108.db2.gz HBFPNFQATGFXRX-NSHDSACASA-N 1 0 220.320 1.443 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCN1CCn1cccn1 ZINC000053649086 167114661 /nfs/dbraw/zinc/11/46/61/167114661.db2.gz WPQDRQSRGSOETE-CYBMUJFWSA-N 1 0 236.363 1.346 10 0 BDAERO CC(C)[NH2+]Cc1cc(-n2ccnc2)ccn1 ZINC000051490077 167116638 /nfs/dbraw/zinc/11/66/38/167116638.db2.gz GFVWOKZISVIWFI-UHFFFAOYSA-N 1 0 216.288 1.765 10 0 BDAERO CC(C)[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000051489958 167121933 /nfs/dbraw/zinc/12/19/33/167121933.db2.gz XARGTHAXDWKARC-UHFFFAOYSA-N 1 0 216.288 1.765 10 0 BDAERO CC(C)[NH2+][C@H](C(N)=O)c1cccc(Cl)c1 ZINC000037869374 167138287 /nfs/dbraw/zinc/13/82/87/167138287.db2.gz JYHMSALVMRMWTF-JTQLQIEISA-N 1 0 226.707 1.864 10 0 BDAERO CC(C)[NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000036852934 167141112 /nfs/dbraw/zinc/14/11/12/167141112.db2.gz HQDSBADMXHAPAR-JTQLQIEISA-N 1 0 224.304 1.055 10 0 BDAERO CC(C)Nc1cc(Cl)n[nH+]c1NN ZINC000143091014 167145783 /nfs/dbraw/zinc/14/57/83/167145783.db2.gz XNISYRYJYZTGDW-UHFFFAOYSA-N 1 0 201.661 1.236 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000044240680 167163794 /nfs/dbraw/zinc/16/37/94/167163794.db2.gz YBOHMRDKJMXPFA-RKDXNWHRSA-N 1 0 200.282 1.391 10 0 BDAERO CC(C)OCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000120841496 167238014 /nfs/dbraw/zinc/23/80/14/167238014.db2.gz QTWPNVHGPPWPFQ-PHIMTYICSA-N 1 0 201.310 1.521 10 0 BDAERO CC(C)Oc1cnc(C[NH3+])cc1OC1CC1 ZINC000095737839 167313123 /nfs/dbraw/zinc/31/31/23/167313123.db2.gz LXYSVNARTLPRSH-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)Oc1ncccc1NC(=O)[C@@H](C)[NH3+] ZINC000042392541 167314238 /nfs/dbraw/zinc/31/42/38/167314238.db2.gz AEKCNAODTAJFRQ-MRVPVSSYSA-N 1 0 223.276 1.155 10 0 BDAERO CC(C)Oc1ncccc1NC(=O)[C@H](C)[NH3+] ZINC000042392544 167314359 /nfs/dbraw/zinc/31/43/59/167314359.db2.gz AEKCNAODTAJFRQ-QMMMGPOBSA-N 1 0 223.276 1.155 10 0 BDAERO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1N ZINC000036786407 167367595 /nfs/dbraw/zinc/36/75/95/167367595.db2.gz XUAVZESGBXRACH-SNVBAGLBSA-N 1 0 249.358 1.844 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105075830 167374578 /nfs/dbraw/zinc/37/45/78/167374578.db2.gz DWHKJCDPOCSNMP-VXGBXAGGSA-N 1 0 241.379 1.767 10 0 BDAERO CC(C)[C@@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037249858 167380860 /nfs/dbraw/zinc/38/08/60/167380860.db2.gz RSJSGJYYQLBISR-SECBINFHSA-N 1 0 213.325 1.164 10 0 BDAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(N)c1 ZINC000049191828 167394526 /nfs/dbraw/zinc/39/45/26/167394526.db2.gz KDPBTBBPLHPVIQ-CYBMUJFWSA-N 1 0 249.358 1.585 10 0 BDAERO CC(C)[C@@H](CN)[N@@H+]1CCCSCC1 ZINC000042443764 167396611 /nfs/dbraw/zinc/39/66/11/167396611.db2.gz ZBOIPGYJRHWSIM-SNVBAGLBSA-N 1 0 202.367 1.409 10 0 BDAERO CC(C)[C@@H](C[NH3+])CC(=O)NCc1ccccn1 ZINC000076618180 167397101 /nfs/dbraw/zinc/39/71/01/167397101.db2.gz IYWAERMLLHNBLG-LLVKDONJSA-N 1 0 235.331 1.319 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000398098480 410943196 /nfs/dbraw/zinc/94/31/96/410943196.db2.gz VXFBJHIDECHRER-YNEHKIRRSA-N 1 0 245.363 1.321 10 0 BDAERO C[C@H](CCO)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000397717787 410932667 /nfs/dbraw/zinc/93/26/67/410932667.db2.gz UENHDIKJIWGNOV-QWRGUYRKSA-N 1 0 217.353 1.392 10 0 BDAERO CN1CCC[C@@H]1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398795010 410990515 /nfs/dbraw/zinc/99/05/15/410990515.db2.gz PAEXZCWWPNESBP-IGQOVBAYSA-N 1 0 238.375 1.173 10 0 BDAERO C[C@@H](Cc1ccccn1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000655498889 411011578 /nfs/dbraw/zinc/01/15/78/411011578.db2.gz GGFBLGSBEWYHGW-SMDDNHRTSA-N 1 0 247.342 1.271 10 0 BDAERO CCCCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000044761928 411139740 /nfs/dbraw/zinc/13/97/40/411139740.db2.gz PYUCARBUAZCXEX-UHFFFAOYSA-N 1 0 228.336 1.048 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(-c2cnccn2)no1 ZINC000109506987 411150994 /nfs/dbraw/zinc/15/09/94/411150994.db2.gz IDAMJWVJQDXMMA-MRVPVSSYSA-N 1 0 233.275 1.052 10 0 BDAERO COc1cc(NCCC2CC[NH2+]CC2)ncn1 ZINC000212985057 411151000 /nfs/dbraw/zinc/15/10/00/411151000.db2.gz RXSJPLRANLPJDC-UHFFFAOYSA-N 1 0 236.319 1.287 10 0 BDAERO c1nc2c(c(NC[C@H]3CCC[NH2+]3)n1)CCC2 ZINC000061277728 411155885 /nfs/dbraw/zinc/15/58/85/411155885.db2.gz UGBNVTCZZCNGRE-SECBINFHSA-N 1 0 218.304 1.129 10 0 BDAERO CCC[C@H](N)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000309515108 411157437 /nfs/dbraw/zinc/15/74/37/411157437.db2.gz YLAUFDHSQWEDKO-YUMQZZPRSA-N 1 0 210.281 1.294 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657911800 411164738 /nfs/dbraw/zinc/16/47/38/411164738.db2.gz OGPNYQZRUFNCIJ-RYUDHWBXSA-N 1 0 244.404 1.192 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1Cc2ccc(OC)cc2C1 ZINC000655502482 411111784 /nfs/dbraw/zinc/11/17/84/411111784.db2.gz NKNZDZRUEOSIGJ-CYBMUJFWSA-N 1 0 248.326 1.665 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000657944384 411176908 /nfs/dbraw/zinc/17/69/08/411176908.db2.gz AAJQEDHOXUOLFG-CHWSQXEVSA-N 1 0 238.375 1.629 10 0 BDAERO COCC1(C[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000656155314 411185943 /nfs/dbraw/zinc/18/59/43/411185943.db2.gz QTMVUYRUJWHISU-JTQLQIEISA-N 1 0 215.337 1.410 10 0 BDAERO Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c(O)c1 ZINC000061883452 411194963 /nfs/dbraw/zinc/19/49/63/411194963.db2.gz MEKDLMUMRKHYDC-JQWIXIFHSA-N 1 0 248.326 1.558 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(O)c1 ZINC000128984230 411195591 /nfs/dbraw/zinc/19/55/91/411195591.db2.gz QSLIXKBONCILNT-NSHDSACASA-N 1 0 222.288 1.704 10 0 BDAERO C[C@H](O)C1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000310099248 411210542 /nfs/dbraw/zinc/21/05/42/411210542.db2.gz AVDOJSXPOMUKSR-SCRDCRAPSA-N 1 0 241.375 1.630 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000658036808 411212620 /nfs/dbraw/zinc/21/26/20/411212620.db2.gz RONVKNQJUJCUHP-NEPJUHHUSA-N 1 0 228.405 1.956 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCNC1=O)CC2 ZINC000658053045 411219809 /nfs/dbraw/zinc/21/98/09/411219809.db2.gz JSKYVIMPTKWVCJ-QWHCGFSZSA-N 1 0 246.310 1.161 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCNC1=O)[C@H]1CC1(C)C ZINC000658052850 411220085 /nfs/dbraw/zinc/22/00/85/411220085.db2.gz POHKJMXENOCZLG-UTLUCORTSA-N 1 0 210.321 1.289 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccsc1 ZINC000658052228 411220112 /nfs/dbraw/zinc/22/01/12/411220112.db2.gz IKIBBSDPGAPJCR-NXEZZACHSA-N 1 0 224.329 1.677 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)C(C)C ZINC000129094643 411223683 /nfs/dbraw/zinc/22/36/83/411223683.db2.gz YZWGITFLVUDVOS-GHMZBOCLSA-N 1 0 214.353 1.768 10 0 BDAERO COC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C(C)C ZINC000129102783 411224594 /nfs/dbraw/zinc/22/45/94/411224594.db2.gz MOPIBQXMDFHFGU-MNOVXSKESA-N 1 0 230.352 1.147 10 0 BDAERO Cc1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cn1 ZINC000129151885 411232354 /nfs/dbraw/zinc/23/23/54/411232354.db2.gz BVNQRMZBCOXVEK-NSHDSACASA-N 1 0 221.304 1.702 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 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226.364 1.879 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658245288 411310761 /nfs/dbraw/zinc/31/07/61/411310761.db2.gz WSJHLNQIUQQTCO-WDEREUQCSA-N 1 0 224.348 1.633 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402814997 411317515 /nfs/dbraw/zinc/31/75/15/411317515.db2.gz MGKIPSHKFQRTTD-ITGHMWBKSA-N 1 0 248.370 1.832 10 0 BDAERO C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC[C@H](O)C1 ZINC000309798461 411249012 /nfs/dbraw/zinc/24/90/12/411249012.db2.gz VYPQIVXFZADLIP-FRRDWIJNSA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccn1 ZINC000128871328 411260707 /nfs/dbraw/zinc/26/07/07/411260707.db2.gz IFVZTWAXXVYMBQ-NSHDSACASA-N 1 0 221.304 1.071 10 0 BDAERO C[NH2+][C@H](C)CNc1ccc2nccnc2n1 ZINC000304299931 411358120 /nfs/dbraw/zinc/35/81/20/411358120.db2.gz OUVZHRAEZJIYCA-MRVPVSSYSA-N 1 0 217.276 1.045 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403856700 411363004 /nfs/dbraw/zinc/36/30/04/411363004.db2.gz 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/nfs/dbraw/zinc/44/24/08/411442408.db2.gz FKLVLSOITTUWSQ-NXEZZACHSA-N 1 0 200.326 1.617 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407222157 411474358 /nfs/dbraw/zinc/47/43/58/411474358.db2.gz MXGQLCLANDSKEE-MVWJERBFSA-N 1 0 224.348 1.678 10 0 BDAERO CC(C)n1ccnc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000657360132 411476602 /nfs/dbraw/zinc/47/66/02/411476602.db2.gz XMJOCVYQHDYZMG-NSHDSACASA-N 1 0 239.363 1.961 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C1CC1 ZINC000407286145 411477066 /nfs/dbraw/zinc/47/70/66/411477066.db2.gz WDZKELNKGYAGBM-XXILOJSOSA-N 1 0 222.332 1.432 10 0 BDAERO [NH3+][C@@H](c1ccccc1)C1(O)CCOCC1 ZINC000218470710 411491903 /nfs/dbraw/zinc/49/19/03/411491903.db2.gz HTBWYNUHIPFGDA-NSHDSACASA-N 1 0 207.273 1.228 10 0 BDAERO FC1(F)C[C@@H]1OCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000659901394 411492672 /nfs/dbraw/zinc/49/26/72/411492672.db2.gz PLBLBMAIELEMSW-QWRGUYRKSA-N 1 0 246.301 1.191 10 0 BDAERO CC[C@H](C)CC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638892470 411513296 /nfs/dbraw/zinc/51/32/96/411513296.db2.gz JJGGHKHFQIWNEZ-DCAQKATOSA-N 1 0 212.337 1.476 10 0 BDAERO COC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000659989046 411520733 /nfs/dbraw/zinc/52/07/33/411520733.db2.gz AKCGKPOHZCOBOP-RWMBFGLXSA-N 1 0 227.348 1.648 10 0 BDAERO CCN1CC[NH2+]C[C@H]1c1ccccc1F ZINC000071511131 170000101 /nfs/dbraw/zinc/00/01/01/170000101.db2.gz UZQDFTGDONAAIC-LBPRGKRZSA-N 1 0 208.280 1.792 10 0 BDAERO CCN1CC[NH2+][C@H](c2cccc(C)c2)C1 ZINC000056894843 170000110 /nfs/dbraw/zinc/00/01/10/170000110.db2.gz XTVAJXVOESNBJU-ZDUSSCGKSA-N 1 0 204.317 1.961 10 0 BDAERO CC(C)n1ccnc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000657327595 411465721 /nfs/dbraw/zinc/46/57/21/411465721.db2.gz WTAWSHMUISPIOW-RYUDHWBXSA-N 1 0 237.347 1.857 10 0 BDAERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(O)cc2)C1 ZINC000037644941 170015378 /nfs/dbraw/zinc/01/53/78/170015378.db2.gz BBNCIFWNIOCBQX-LLVKDONJSA-N 1 0 248.326 1.464 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2cc(C)no2)C1 ZINC000336672133 170032168 /nfs/dbraw/zinc/03/21/68/170032168.db2.gz ACVSUPYBQCWTKG-BXKDBHETSA-N 1 0 223.320 1.413 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000657524116 411540669 /nfs/dbraw/zinc/54/06/69/411540669.db2.gz JFECPCZZFOQGSU-CYBMUJFWSA-N 1 0 230.311 1.542 10 0 BDAERO CCNC(=O)CC[NH2+][C@]1(CO)CCC[C@H](C)C1 ZINC000053125498 170052807 /nfs/dbraw/zinc/05/28/07/170052807.db2.gz RINNFYMDONAWEF-WCQYABFASA-N 1 0 242.363 1.043 10 0 BDAERO CCNC(=O)CCOc1cccc([C@@H](C)[NH3+])c1 ZINC000051756819 170053422 /nfs/dbraw/zinc/05/34/22/170053422.db2.gz KIZOZKYYOCKCNA-SNVBAGLBSA-N 1 0 236.315 1.611 10 0 BDAERO CCNC(=O)C[N@H+](C)Cc1cccc(N)c1C ZINC000049725882 170054929 /nfs/dbraw/zinc/05/49/29/170054929.db2.gz GCANVADMYUPKBB-UHFFFAOYSA-N 1 0 235.331 1.145 10 0 BDAERO CCNC(=O)COc1cc(Cl)ccc1C[NH3+] ZINC000128862222 170067373 /nfs/dbraw/zinc/06/73/73/170067373.db2.gz HPWVPSNFQDDIJB-UHFFFAOYSA-N 1 0 242.706 1.314 10 0 BDAERO CCNC(=O)COc1ccc([C@@H]([NH3+])CC)cc1 ZINC000022216141 170067467 /nfs/dbraw/zinc/06/74/67/170067467.db2.gz YRQHHXKCCIGRNO-LBPRGKRZSA-N 1 0 236.315 1.611 10 0 BDAERO CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1CCCC1 ZINC000037251914 170079052 /nfs/dbraw/zinc/07/90/52/170079052.db2.gz WUQKMPZDBBCJRX-VIFPVBQESA-N 1 0 241.335 1.000 10 0 BDAERO CCNC(=O)Oc1ccc2c(c1)[C@@H]([NH3+])CC2 ZINC000013492209 170085387 /nfs/dbraw/zinc/08/53/87/170085387.db2.gz AAHXNWIGTPUBBQ-NSHDSACASA-N 1 0 220.272 1.741 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555852 170088491 /nfs/dbraw/zinc/08/84/91/170088491.db2.gz VXPVCSODUXJEGO-NEPJUHHUSA-N 1 0 243.395 1.077 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+][C@H](CC)C(C)(C)C ZINC000336766206 170089127 /nfs/dbraw/zinc/08/91/27/170089127.db2.gz RLMDOTXKQSSEIO-NXEZZACHSA-N 1 0 214.353 1.925 10 0 BDAERO CCNC(=O)[C@@H](CC[NH3+])c1cccc(OC)c1 ZINC000076618950 170090176 /nfs/dbraw/zinc/09/01/76/170090176.db2.gz KYTMTJZBSSUWIT-LBPRGKRZSA-N 1 0 236.315 1.264 10 0 BDAERO CCNC(=O)c1c(N)sc2c1CC[N@H+](C)C2 ZINC000036225011 170100348 /nfs/dbraw/zinc/10/03/48/170100348.db2.gz UJNGTGZHIIUZSB-UHFFFAOYSA-N 1 0 239.344 1.068 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(C)C1CCCC1 ZINC000061288750 170106034 /nfs/dbraw/zinc/10/60/34/170106034.db2.gz YRPOSPQUJYUBAP-UHFFFAOYSA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(CCOC)CC(C)C ZINC000061295021 170106427 /nfs/dbraw/zinc/10/64/27/170106427.db2.gz FNNCIUTYRZJAIJ-UHFFFAOYSA-N 1 0 244.379 1.506 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCOC[C@@H]1CC ZINC000061289753 170106642 /nfs/dbraw/zinc/10/66/42/170106642.db2.gz JXHWGRACNYCSMV-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000061289315 170107829 /nfs/dbraw/zinc/10/78/29/170107829.db2.gz KWASDPOEMFXOKB-NXEZZACHSA-N 1 0 228.336 1.010 10 0 BDAERO CC[NH2+]C1(c2nc(C)cs2)CCN(C)CC1 ZINC000041061059 170108203 /nfs/dbraw/zinc/10/82/03/170108203.db2.gz MJBHVZBIYAPDQP-UHFFFAOYSA-N 1 0 239.388 1.982 10 0 BDAERO CC[NH2+]CC(C)(C)[C@H]1CCS(=O)(=O)C1 ZINC000054637982 170110961 /nfs/dbraw/zinc/11/09/61/170110961.db2.gz NAUUQCUCTUFEMI-VIFPVBQESA-N 1 0 219.350 1.057 10 0 BDAERO CC[NH2+]CCC(=O)N1CCc2ccccc21 ZINC000061287646 170111928 /nfs/dbraw/zinc/11/19/28/170111928.db2.gz RQOJAFMNYXXADT-UHFFFAOYSA-N 1 0 218.300 1.575 10 0 BDAERO CC[NH2+]CCC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000061299293 170112166 /nfs/dbraw/zinc/11/21/66/170112166.db2.gz MQYGXTJHDBVEKE-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]CC1CCN(c2nccn2CC)CC1 ZINC000053664488 170112190 /nfs/dbraw/zinc/11/21/90/170112190.db2.gz RSFDCDVCXLDFIQ-UHFFFAOYSA-N 1 0 236.363 1.729 10 0 BDAERO CC[NH2+]CCOc1ccc(C(=O)OCC)cn1 ZINC000051869011 170116482 /nfs/dbraw/zinc/11/64/82/170116482.db2.gz YCLCRPZSJJNNJA-UHFFFAOYSA-N 1 0 238.287 1.247 10 0 BDAERO CC[NH2+]CC[C@@H](O)c1cc(F)ccc1OC ZINC000049820802 170117256 /nfs/dbraw/zinc/11/72/56/170117256.db2.gz CVHOGSUXJUNULB-LLVKDONJSA-N 1 0 227.279 1.867 10 0 BDAERO CC[NH2+]CC[C@@H](O)c1ccc(OC)c(N)c1 ZINC000098124952 170117539 /nfs/dbraw/zinc/11/75/39/170117539.db2.gz KIABJISMHYDSCL-LLVKDONJSA-N 1 0 224.304 1.310 10 0 BDAERO CC[NH2+]CCc1nnc(-c2ccccc2OC)o1 ZINC000050619678 170117916 /nfs/dbraw/zinc/11/79/16/170117916.db2.gz ZOPHJQLAJHNGBO-UHFFFAOYSA-N 1 0 247.298 1.897 10 0 BDAERO CC[NH2+]CCc1nc(-c2cc(C)ccn2)no1 ZINC000104411117 170117957 /nfs/dbraw/zinc/11/79/57/170117957.db2.gz XXJDJHIAXQBHRY-UHFFFAOYSA-N 1 0 232.287 1.592 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1N(C)C ZINC000061233161 170118714 /nfs/dbraw/zinc/11/87/14/170118714.db2.gz BQFQLTJBEIHBGW-LLVKDONJSA-N 1 0 249.358 1.937 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1CC(=O)OC(C)C ZINC000104415980 170120472 /nfs/dbraw/zinc/12/04/72/170120472.db2.gz LAPQACBJAWDYBC-LBPRGKRZSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccncc1 ZINC000061229532 170121594 /nfs/dbraw/zinc/12/15/94/170121594.db2.gz CVAVDBALAPVECN-QWRGUYRKSA-N 1 0 235.331 1.504 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccccc1CC ZINC000032014549 170122031 /nfs/dbraw/zinc/12/20/31/170122031.db2.gz UKKLQFZMEPZOIU-LBPRGKRZSA-N 1 0 223.316 1.598 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1C[C@H](C)OC[C@@H]1CC ZINC000061229929 170122280 /nfs/dbraw/zinc/12/22/80/170122280.db2.gz WDWCANUZEQJKAM-SRVKXCTJSA-N 1 0 242.363 1.258 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc2c(c1)CCO2 ZINC000055027934 170122630 /nfs/dbraw/zinc/12/26/30/170122630.db2.gz PNBZYTSUDMKQCN-NSHDSACASA-N 1 0 207.273 1.264 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1c(F)cccc1F ZINC000055032792 170123711 /nfs/dbraw/zinc/12/37/11/170123711.db2.gz VOGNOKCENNWBIW-NSHDSACASA-N 1 0 215.243 1.782 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1nccs1 ZINC000053696571 170122862 /nfs/dbraw/zinc/12/28/62/170122862.db2.gz TUEKRNKEYVFHFS-SECBINFHSA-N 1 0 211.334 1.721 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccccc1OCC ZINC000032012209 170122871 /nfs/dbraw/zinc/12/28/71/170122871.db2.gz ZCPWHWWNNDOOJC-NSHDSACASA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]C[C@]1(O)CCc2ccccc2C1 ZINC000055027956 170123829 /nfs/dbraw/zinc/12/38/29/170123829.db2.gz IIGIEGDGKYLCSG-ZDUSSCGKSA-N 1 0 205.301 1.516 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1ccc(F)c(C)c1 ZINC000032012545 170123835 /nfs/dbraw/zinc/12/38/35/170123835.db2.gz GYNXBWOCVKCEED-LBPRGKRZSA-N 1 0 211.280 1.951 10 0 BDAERO CC[NH2+]Cc1c(C)nn(C)c1-n1cccn1 ZINC000034825183 170124260 /nfs/dbraw/zinc/12/42/60/170124260.db2.gz UPXPQMUSMZCVEC-UHFFFAOYSA-N 1 0 219.292 1.024 10 0 BDAERO CC[NH2+]Cc1c(C)nn(CCn2cccn2)c1C ZINC000049326224 170124582 /nfs/dbraw/zinc/12/45/82/170124582.db2.gz RRJVEQZABHIFCW-UHFFFAOYSA-N 1 0 247.346 1.506 10 0 BDAERO CC[NH2+]Cc1cc(F)ccc1N(C)C[C@@H](C)O ZINC000051839288 170125237 /nfs/dbraw/zinc/12/52/37/170125237.db2.gz ZJKTWIWGHCXJAG-SNVBAGLBSA-N 1 0 240.322 1.752 10 0 BDAERO CC[NH2+]Cc1cc(C)nc(Cc2ccccn2)n1 ZINC000054831213 170125375 /nfs/dbraw/zinc/12/53/75/170125375.db2.gz BBDBLQDYXGFJBC-UHFFFAOYSA-N 1 0 242.326 1.880 10 0 BDAERO CC[NH2+]Cc1ccc(N2CCC[C@@H]2C)nn1 ZINC000051398884 170127816 /nfs/dbraw/zinc/12/78/16/170127816.db2.gz IQJXSQXCUDTMAZ-JTQLQIEISA-N 1 0 220.320 1.575 10 0 BDAERO CC[NH2+]Cc1ccc(OC[C@@H]2CCOC2)nn1 ZINC000051572136 170127849 /nfs/dbraw/zinc/12/78/49/170127849.db2.gz QWVZTAMDOUIVKL-SNVBAGLBSA-N 1 0 237.303 1.001 10 0 BDAERO CC[NH2+]Cc1cccc(N(C)[C@@H](C)COC)n1 ZINC000051482588 170128619 /nfs/dbraw/zinc/12/86/19/170128619.db2.gz GLVMDMXBUQOCPI-NSHDSACASA-N 1 0 237.347 1.662 10 0 BDAERO CC[NH2+]Cc1cccc(OC[C@H](C)C(N)=O)c1 ZINC000037226854 170128664 /nfs/dbraw/zinc/12/86/64/170128664.db2.gz YMZGQLHTYIMHQF-JTQLQIEISA-N 1 0 236.315 1.296 10 0 BDAERO CC[NH2+]Cc1ccnc(-c2ncccn2)n1 ZINC000054791359 170129225 /nfs/dbraw/zinc/12/92/25/170129225.db2.gz MRUMZIIKBMSFCD-UHFFFAOYSA-N 1 0 215.260 1.043 10 0 BDAERO CC[NH2+]Cc1ccnc(-c2ccncc2)n1 ZINC000054791321 170129253 /nfs/dbraw/zinc/12/92/53/170129253.db2.gz CZAIYRNVEDVXPX-UHFFFAOYSA-N 1 0 214.272 1.648 10 0 BDAERO CC[NH2+]Cc1ccnc(-c2cnccn2)n1 ZINC000054791373 170129532 /nfs/dbraw/zinc/12/95/32/170129532.db2.gz PSSMCHBTXHRTLQ-UHFFFAOYSA-N 1 0 215.260 1.043 10 0 BDAERO CC[NH2+]Cc1cnc(N2CCCOCC2)s1 ZINC000061936818 170130316 /nfs/dbraw/zinc/13/03/16/170130316.db2.gz DKJOIVAEVDWJBT-UHFFFAOYSA-N 1 0 241.360 1.479 10 0 BDAERO CC[NH2+]Cc1cnn([C@H]2CCCC[C@H]2O)c1C ZINC000054600036 170130322 /nfs/dbraw/zinc/13/03/22/170130322.db2.gz YPRYOIUXQQCXIQ-QWHCGFSZSA-N 1 0 237.347 1.777 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H]1C[C@H]1c1ccccc1 ZINC000054747506 170131504 /nfs/dbraw/zinc/13/15/04/170131504.db2.gz GYDMAKBIFKPEQA-RYUDHWBXSA-N 1 0 243.314 1.511 10 0 BDAERO CC[NH2+][C@@H](C)C(=O)c1ccc(OC)cc1OC ZINC000071547789 170137653 /nfs/dbraw/zinc/13/76/53/170137653.db2.gz LLMGWNXODANNKT-VIFPVBQESA-N 1 0 237.299 1.885 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1cccc(C)c1C ZINC000043315293 170138138 /nfs/dbraw/zinc/13/81/38/170138138.db2.gz ZFXRKTTVIYYECV-LLVKDONJSA-N 1 0 206.289 1.439 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N(C)C[C@@H]1CCCCO1 ZINC000061274081 170138870 /nfs/dbraw/zinc/13/88/70/170138870.db2.gz VGUFPRKYGYUTDL-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+][C@@H](C)c1cnc(N2CCOCC2)s1 ZINC000054900079 170142894 /nfs/dbraw/zinc/14/28/94/170142894.db2.gz VMQVEIYSIVBODN-VIFPVBQESA-N 1 0 241.360 1.650 10 0 BDAERO CC[NH2+][C@@H](CC)[C@@H](C)c1nc(CCOC)no1 ZINC000104168137 170143762 /nfs/dbraw/zinc/14/37/62/170143762.db2.gz RZUZQOBNTSMWPB-ZJUUUORDSA-N 1 0 241.335 1.750 10 0 BDAERO CC[NH2+][C@@H](CO)c1ccc(OC)c(Cl)c1 ZINC000071534350 170144606 /nfs/dbraw/zinc/14/46/06/170144606.db2.gz HFHXLXSFYYKJQV-JTQLQIEISA-N 1 0 229.707 1.992 10 0 BDAERO CC[NH2+][C@@H](CCO)[C@H]1COc2ccccc2O1 ZINC000095091418 170145164 /nfs/dbraw/zinc/14/51/64/170145164.db2.gz CTHHDISIMLYCNP-GXFFZTMASA-N 1 0 237.299 1.187 10 0 BDAERO CC[NH2+][C@@H](Cc1cnn(C)c1)c1cnccn1 ZINC000050542919 170146435 /nfs/dbraw/zinc/14/64/35/170146435.db2.gz IGZQPOLAKPJAGE-NSHDSACASA-N 1 0 231.303 1.103 10 0 BDAERO CC[NH2+][C@@H](c1cccs1)[C@H]1COCCO1 ZINC000055300028 170148393 /nfs/dbraw/zinc/14/83/93/170148393.db2.gz UCCXUJFEKPUVHW-MWLCHTKSSA-N 1 0 227.329 1.814 10 0 BDAERO CC[NH2+][C@@H]1C(=O)Nc2cc(-n3ccnc3)ccc21 ZINC000103966832 170148999 /nfs/dbraw/zinc/14/89/99/170148999.db2.gz HRTBKCUCUYJYAP-LBPRGKRZSA-N 1 0 242.282 1.475 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1N1CCOCC1(C)C ZINC000043916968 170150707 /nfs/dbraw/zinc/15/07/07/170150707.db2.gz JPTFANCYELUTEB-NEPJUHHUSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C1 ZINC000049533893 170151647 /nfs/dbraw/zinc/15/16/47/170151647.db2.gz KEBRKMNRJSLRBZ-SNVBAGLBSA-N 1 0 225.361 1.635 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)Cc2ccco2)C1=O ZINC000049649083 170151891 /nfs/dbraw/zinc/15/18/91/170151891.db2.gz FOHFUHHIAYUIHQ-CMPLNLGQSA-N 1 0 236.315 1.421 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000049647297 170152083 /nfs/dbraw/zinc/15/20/83/170152083.db2.gz UJDBZYKTJQRJMI-CYBMUJFWSA-N 1 0 248.326 1.406 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccccc2CC)C1=O ZINC000049647628 170152769 /nfs/dbraw/zinc/15/27/69/170152769.db2.gz CGUBLKFTZWLOOX-GFCCVEGCSA-N 1 0 232.327 1.964 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000049647925 170153259 /nfs/dbraw/zinc/15/32/59/170153259.db2.gz JKOWDBXSNYIHJJ-GFCCVEGCSA-N 1 0 218.300 1.710 10 0 BDAERO CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1c1ccccc1 ZINC000004226957 170153765 /nfs/dbraw/zinc/15/37/65/170153765.db2.gz HNHXENQBLPHYQU-VXGBXAGGSA-N 1 0 239.340 1.177 10 0 BDAERO CC[NH2+][C@@H]1C[C@H](C)S(=O)(=O)c2ccccc21 ZINC000035760611 170154043 /nfs/dbraw/zinc/15/40/43/170154043.db2.gz KAOVCPXFAMDGOZ-GXSJLCMTSA-N 1 0 239.340 1.903 10 0 BDAERO CCN[C@@](C)(C(N)=O)c1cc(F)ccc1F ZINC000037447620 170155070 /nfs/dbraw/zinc/15/50/70/170155070.db2.gz FDQMKONXGIHSDX-LLVKDONJSA-N 1 0 228.242 1.275 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cccc(CC)c2)C1=O ZINC000049647837 170167744 /nfs/dbraw/zinc/16/77/44/170167744.db2.gz LZWWULSRKIHLDR-ZDUSSCGKSA-N 1 0 232.327 1.964 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000049647622 170167899 /nfs/dbraw/zinc/16/78/99/170167899.db2.gz CNQFLQDHEYREOR-NSHDSACASA-N 1 0 222.263 1.541 10 0 BDAERO CC[NH2+][C@H]1CC[S@@](=O)c2ccccc21 ZINC000040973498 170168833 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PWZHBOIAEVGJPS-LBPRGKRZSA-N 1 0 242.363 1.404 10 0 BDAERO CCOC(=O)C[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000062052991 170233162 /nfs/dbraw/zinc/23/31/62/170233162.db2.gz WRJPUMRMELVPGS-NSHDSACASA-N 1 0 236.315 1.821 10 0 BDAERO CCOC(=O)C[C@H]1[NH2+]CCc2[nH]ccc21 ZINC000100905807 170234571 /nfs/dbraw/zinc/23/45/71/170234571.db2.gz OGEZBHZJNPISEC-SNVBAGLBSA-N 1 0 208.261 1.155 10 0 BDAERO CCOC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916193 170239394 /nfs/dbraw/zinc/23/93/94/170239394.db2.gz SXXARKFROTZFTE-MNOVXSKESA-N 1 0 226.320 1.607 10 0 BDAERO CCOC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000062568585 170239856 /nfs/dbraw/zinc/23/98/56/170239856.db2.gz ZOYMGCKQHLGTEG-SECBINFHSA-N 1 0 200.282 1.073 10 0 BDAERO CCOC(=O)[C@@H](CC[N@H+](CC)CC(C)C)NC ZINC000062445056 170251108 /nfs/dbraw/zinc/25/11/08/170251108.db2.gz QHXZVKXDVZEVJV-GFCCVEGCSA-N 1 0 244.379 1.506 10 0 BDAERO CCOC(=O)[C@H](CC[N@H+](CC)CC(C)C)NC ZINC000062445053 170272423 /nfs/dbraw/zinc/27/24/23/170272423.db2.gz QHXZVKXDVZEVJV-LBPRGKRZSA-N 1 0 244.379 1.506 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])Cc1cc(F)cc(F)c1 ZINC000076160007 170273056 /nfs/dbraw/zinc/27/30/56/170273056.db2.gz ZTGPDDILXDHROO-VIFPVBQESA-N 1 0 243.253 1.645 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000084943616 170273523 /nfs/dbraw/zinc/27/35/23/170273523.db2.gz IFYPGGQCKJUNTN-SNVBAGLBSA-N 1 0 211.236 1.431 10 0 BDAERO CCOC(=O)[C@H]1CC(C)(C)S[C@@H]1[NH3+] ZINC000039085267 170278919 /nfs/dbraw/zinc/27/89/19/170278919.db2.gz YCWQMFBKHOYJJH-BQBZGAKWSA-N 1 0 203.307 1.366 10 0 BDAERO CCOC(=O)[C@](C)(N)C[NH+]1CCC(C)(C)CC1 ZINC000061821944 170284375 /nfs/dbraw/zinc/28/43/75/170284375.db2.gz GPEFPLXWTFHYDO-CYBMUJFWSA-N 1 0 242.363 1.389 10 0 BDAERO CCOC1CCN([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000040689308 170332816 /nfs/dbraw/zinc/33/28/16/170332816.db2.gz VHXCRSYSYGZXKK-NWDGAFQWSA-N 1 0 212.337 1.367 10 0 BDAERO CCOCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037915829 170340354 /nfs/dbraw/zinc/34/03/54/170340354.db2.gz RTNVJLSDQGPPCR-VXGBXAGGSA-N 1 0 240.347 1.014 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000660322912 411568755 /nfs/dbraw/zinc/56/87/55/411568755.db2.gz OHZSOAXXUDIGTA-UTUOFQBUSA-N 1 0 211.305 1.011 10 0 BDAERO CCOCCCNC(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055123952 170378744 /nfs/dbraw/zinc/37/87/44/170378744.db2.gz PYUBTIFHFSANRS-TUAOUCFPSA-N 1 0 242.363 1.293 10 0 BDAERO CCOCCC[NH2+]CCN1CCCCC1 ZINC000041626626 170380204 /nfs/dbraw/zinc/38/02/04/170380204.db2.gz OIDYBLWMCNDJEL-UHFFFAOYSA-N 1 0 214.353 1.489 10 0 BDAERO CCOCCC[NH2+][C@@H](C)C(=O)N(CC)CC ZINC000034938536 170381418 /nfs/dbraw/zinc/38/14/18/170381418.db2.gz MVAKPYVTPLPBID-NSHDSACASA-N 1 0 230.352 1.260 10 0 BDAERO CCOCCC[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000019963052 170382468 /nfs/dbraw/zinc/38/24/68/170382468.db2.gz RXYKDTFVZXCWJQ-GFCCVEGCSA-N 1 0 237.299 1.842 10 0 BDAERO CCOCCCn1c(C[NH3+])nc2ccccc21 ZINC000040163808 170385868 /nfs/dbraw/zinc/38/58/68/170385868.db2.gz VTJRQUNFDRNUKN-UHFFFAOYSA-N 1 0 233.315 1.922 10 0 BDAERO CCOCCN(CC)[C@H](C)C[NH2+]CCCOC ZINC000104195578 170395959 /nfs/dbraw/zinc/39/59/59/170395959.db2.gz WQCDUEULKFQMQL-CYBMUJFWSA-N 1 0 246.395 1.359 10 0 BDAERO CCOCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105919538 170397419 /nfs/dbraw/zinc/39/74/19/170397419.db2.gz WTWXFRCNKCGHTM-GFCCVEGCSA-N 1 0 238.335 1.027 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCOC1(C)C ZINC000663371719 411638743 /nfs/dbraw/zinc/63/87/43/411638743.db2.gz VXFRYMAXEKPMLP-WDEREUQCSA-N 1 0 229.364 1.798 10 0 BDAERO Cc1cccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000657693988 411579786 /nfs/dbraw/zinc/57/97/86/411579786.db2.gz IFUOCEVLYWRESP-CYBMUJFWSA-N 1 0 232.327 1.563 10 0 BDAERO CN1C[C@@H](C[NH2+]C[C@H]2CC=CCC2)CC1=O ZINC000657695304 411581082 /nfs/dbraw/zinc/58/10/82/411581082.db2.gz XQIYPPZXEJNDLO-NWDGAFQWSA-N 1 0 222.332 1.411 10 0 BDAERO Cc1cccc(C)c1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657695857 411581223 /nfs/dbraw/zinc/58/12/23/411581223.db2.gz POOGVHAMPOLZDC-CYBMUJFWSA-N 1 0 246.354 1.871 10 0 BDAERO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657698343 411581662 /nfs/dbraw/zinc/58/16/62/411581662.db2.gz VXOAIQOGTGHNBO-OUAUKWLOSA-N 1 0 210.321 1.243 10 0 BDAERO Cc1cc(C)cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000657697623 411581698 /nfs/dbraw/zinc/58/16/98/411581698.db2.gz QNOOMBCFJHMFIX-CQSZACIVSA-N 1 0 246.354 1.871 10 0 BDAERO Cc1nc(C[NH2+]C2CC(CO)C2)cs1 ZINC000657808353 411600719 /nfs/dbraw/zinc/60/07/19/411600719.db2.gz GKLJOZCZEIWCKL-UHFFFAOYSA-N 1 0 212.318 1.312 10 0 BDAERO O[C@@H]1C[NH2+][C@H](c2nc(C3CCCCC3)no2)C1 ZINC000131711002 411601285 /nfs/dbraw/zinc/60/12/85/411601285.db2.gz LMBNWVPIIRLYRH-UWVGGRQHSA-N 1 0 237.303 1.513 10 0 BDAERO Cc1cccc(C[NH2+]C2CC(CO)C2)c1 ZINC000657808930 411601666 /nfs/dbraw/zinc/60/16/66/411601666.db2.gz QPBJVKHYSJUBDH-UHFFFAOYSA-N 1 0 205.301 1.856 10 0 BDAERO COc1ccc(F)cc1C[NH2+]C1CC(CO)C1 ZINC000657810332 411602534 /nfs/dbraw/zinc/60/25/34/411602534.db2.gz BABYGHRFPQIVSQ-UHFFFAOYSA-N 1 0 239.290 1.695 10 0 BDAERO Cc1cc(C[NH2+]C2CC(CO)C2)ccc1F ZINC000657812035 411603628 /nfs/dbraw/zinc/60/36/28/411603628.db2.gz CRFNRBLTMVEFFI-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO CCO[C@H](C[NH3+])CCN1CCc2ccccc21 ZINC000062740732 170503643 /nfs/dbraw/zinc/50/36/43/170503643.db2.gz FMJWDXMNRBBCJL-ZDUSSCGKSA-N 1 0 234.343 1.803 10 0 BDAERO CCOc1cc2c(cc1[C@@H]([NH3+])CO)O[C@H](C)C2 ZINC000038124665 170530514 /nfs/dbraw/zinc/53/05/14/170530514.db2.gz IGAJMSNTZWONCH-KCJUWKMLSA-N 1 0 237.299 1.401 10 0 BDAERO CCOc1ccc(-c2cn(C3C[NH2+]C3)nn2)cc1 ZINC000095829371 170532076 /nfs/dbraw/zinc/53/20/76/170532076.db2.gz YBEDPCKLIGBEMB-UHFFFAOYSA-N 1 0 244.298 1.488 10 0 BDAERO CCOc1ccc([C@@](O)(C[NH3+])C2CC2)cc1 ZINC000049818482 170561013 /nfs/dbraw/zinc/56/10/13/170561013.db2.gz FBIMJPPGVAGUSX-CYBMUJFWSA-N 1 0 221.300 1.642 10 0 BDAERO CCOc1ccc([C@H](CC[NH3+])C(=O)NC)cc1 ZINC000076618931 170562894 /nfs/dbraw/zinc/56/28/94/170562894.db2.gz NNQCXRVYLBTZOR-LBPRGKRZSA-N 1 0 236.315 1.264 10 0 BDAERO CCOc1ccccc1OC(=O)NCC[NH3+] ZINC000071531589 170596685 /nfs/dbraw/zinc/59/66/85/170596685.db2.gz JZTFAELDFFNGJH-UHFFFAOYSA-N 1 0 224.260 1.132 10 0 BDAERO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN1C ZINC000661434139 411772966 /nfs/dbraw/zinc/77/29/66/411772966.db2.gz CHYAPIAKXPUDJO-HZSPNIEDSA-N 1 0 240.391 1.564 10 0 BDAERO OCC1([NH2+]C[C@H]2CCC[C@@H](O)C2)CCCCC1 ZINC000383436839 487620763 /nfs/dbraw/zinc/62/07/63/487620763.db2.gz CVVISHKHFJESEY-QWHCGFSZSA-N 1 0 241.375 1.822 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](CCF)C1 ZINC000661689466 411838746 /nfs/dbraw/zinc/83/87/46/411838746.db2.gz QTADZNBQGNJTGC-IJLUTSLNSA-N 1 0 215.312 1.971 10 0 BDAERO CC[C@@H](C)NC(=O)[C@@H](CC[NH3+])C(C)C ZINC000076582781 170744956 /nfs/dbraw/zinc/74/49/56/170744956.db2.gz ZMPVJRKWCHCACJ-ZJUUUORDSA-N 1 0 200.326 1.522 10 0 BDAERO CC[C@@H](C)[NH2+]CC(=O)N(CCOC)CC(C)C ZINC000037809122 170751023 /nfs/dbraw/zinc/75/10/23/170751023.db2.gz OCUMAQNMENAZHP-GFCCVEGCSA-N 1 0 244.379 1.506 10 0 BDAERO CC[C@@H](C)[NH2+]C[C@@H](C)N(C)Cc1cnn(C)c1 ZINC000053497417 170751696 /nfs/dbraw/zinc/75/16/96/170751696.db2.gz KSGHHVXSZPXFBG-VXGBXAGGSA-N 1 0 238.379 1.629 10 0 BDAERO CC[N@@H+]1CCCCC[C@@H]1c1cc(N)n[nH]1 ZINC000616622585 411857358 /nfs/dbraw/zinc/85/73/58/411857358.db2.gz FNSDPBXEWXPQEI-SNVBAGLBSA-N 1 0 208.309 1.929 10 0 BDAERO CC[N@@H+]1CCOC[C@H](c2ccnc(N)c2)C1 ZINC000616660766 411857956 /nfs/dbraw/zinc/85/79/56/411857956.db2.gz QEUWUGKWPABRSI-LLVKDONJSA-N 1 0 221.304 1.100 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2c[nH]nc2N)C1 ZINC000616649902 411863778 /nfs/dbraw/zinc/86/37/78/411863778.db2.gz OTFDBPDCYNHCTM-JTQLQIEISA-N 1 0 238.335 1.554 10 0 BDAERO C[N@@H+]1CCOCC[C@H]1c1ccnc(N)c1 ZINC000616660273 411897518 /nfs/dbraw/zinc/89/75/18/411897518.db2.gz WPSFJCMKJKUCBW-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO Cc1cccc(CCC(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000133696242 411908673 /nfs/dbraw/zinc/90/86/73/411908673.db2.gz AWBUANHCWMOLAX-AWEZNQCLSA-N 1 0 246.354 1.653 10 0 BDAERO CC[C@@H](C1CCCCC1)N1CC[C@H]([NH3+])C1=O ZINC000052340535 170810773 /nfs/dbraw/zinc/81/07/73/170810773.db2.gz RGDICBCSHDQKRU-RYUDHWBXSA-N 1 0 224.348 1.905 10 0 BDAERO CCc1nnc(C[NH2+][C@H](CC)C2CC2)n1C ZINC000661758387 411868898 /nfs/dbraw/zinc/86/88/98/411868898.db2.gz MJXBOEUAWALPDZ-SNVBAGLBSA-N 1 0 222.336 1.656 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000020195421 170841836 /nfs/dbraw/zinc/84/18/36/170841836.db2.gz GJFMORGCAPEBDK-ONGXEEELSA-N 1 0 239.315 1.822 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2ccc(N)nc2)C1 ZINC000616660648 411872445 /nfs/dbraw/zinc/87/24/45/411872445.db2.gz OXMIOWUWWLRAEL-GFCCVEGCSA-N 1 0 235.331 1.488 10 0 BDAERO CC[C@@H]([NH3+])Cc1cccc(O[C@@H](C)C(N)=O)c1 ZINC000037726961 170866463 /nfs/dbraw/zinc/86/64/63/170866463.db2.gz NWWODVOALPHKPD-GXSJLCMTSA-N 1 0 236.315 1.219 10 0 BDAERO CC[C@@H]([NH3+])Cn1cc(Cl)cc(Cl)c1=O ZINC000057834885 170866880 /nfs/dbraw/zinc/86/68/80/170866880.db2.gz VFWKAWILJYABTE-SSDOTTSWSA-N 1 0 235.114 1.892 10 0 BDAERO c1nc2c(c(NC[C@@H]3CC[NH2+]C3)n1)CCCC2 ZINC000133836281 411973900 /nfs/dbraw/zinc/97/39/00/411973900.db2.gz OYSQMODZUPJGJY-SNVBAGLBSA-N 1 0 232.331 1.377 10 0 BDAERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(C)C ZINC000085789977 170901207 /nfs/dbraw/zinc/90/12/07/170901207.db2.gz NRGKECVPMPDBCE-NWDGAFQWSA-N 1 0 214.353 1.341 10 0 BDAERO CC[C@@H]([NH2+][C@H]1CC(=O)NC1=O)c1cccs1 ZINC000104818238 170913465 /nfs/dbraw/zinc/91/34/65/170913465.db2.gz OBLWXPAIJSLOEG-SFYZADRCSA-N 1 0 238.312 1.204 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000225544085 487621365 /nfs/dbraw/zinc/62/13/65/487621365.db2.gz VMZPVWQYBIJRKQ-ADPBJBESSA-N 1 0 224.348 1.809 10 0 BDAERO Nc1ccc([C@@H]2CCC[N@H+](CCO)CC2)cn1 ZINC000616628347 411959354 /nfs/dbraw/zinc/95/93/54/411959354.db2.gz QDUPOKVFCYAIRS-LLVKDONJSA-N 1 0 235.331 1.226 10 0 BDAERO CC[C@@H]1CCN(Cc2ccccn2)CC[NH2+]1 ZINC000049662102 171012645 /nfs/dbraw/zinc/01/26/45/171012645.db2.gz AVCFMPLXWAGIRZ-GFCCVEGCSA-N 1 0 219.332 1.656 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336726735 171045533 /nfs/dbraw/zinc/04/55/33/171045533.db2.gz GZFQHJCJWXLICV-DBIOUOCHSA-N 1 0 210.321 1.432 10 0 BDAERO CC[C@@H]1CN(C2(C[NH3+])CCCC2)CCO1 ZINC000036769520 171074076 /nfs/dbraw/zinc/07/40/76/171074076.db2.gz COEQZZOCJOAMNY-LLVKDONJSA-N 1 0 212.337 1.369 10 0 BDAERO CC[C@@H]1CN([C@@H](C[NH3+])C(C)C)CCO1 ZINC000036769366 171093662 /nfs/dbraw/zinc/09/36/62/171093662.db2.gz CAFFNDWPGZWKIC-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO CC[C@@H]1CN([C@@H](C[NH3+])c2cccs2)CCO1 ZINC000036769340 171094046 /nfs/dbraw/zinc/09/40/46/171094046.db2.gz WGXCXMFQARRILB-MNOVXSKESA-N 1 0 240.372 1.859 10 0 BDAERO CC[C@@H]1CN([C@@H](C[NH3+])C(C)(C)C)CCO1 ZINC000041051594 171094450 /nfs/dbraw/zinc/09/44/50/171094450.db2.gz CDTUSYMQAJWIJF-MNOVXSKESA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@@H]1CN(c2ncc([C@@H](C)[NH3+])s2)CCO1 ZINC000054895636 171098027 /nfs/dbraw/zinc/09/80/27/171098027.db2.gz ILWSYEZXKSGWFT-RKDXNWHRSA-N 1 0 241.360 1.778 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCO1 ZINC000083368698 171100877 /nfs/dbraw/zinc/10/08/77/171100877.db2.gz SRDJDJNEJHUHPQ-HZSPNIEDSA-N 1 0 240.391 1.874 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1CC[NH2+]CCCOC ZINC000053441648 171111693 /nfs/dbraw/zinc/11/16/93/171111693.db2.gz WKQTVYQBBVDVNQ-CHWSQXEVSA-N 1 0 244.379 1.112 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1c1ncc(C[NH3+])s1 ZINC000054898155 171113789 /nfs/dbraw/zinc/11/37/89/171113789.db2.gz LAIVRABKESBATQ-RKDXNWHRSA-N 1 0 241.360 1.606 10 0 BDAERO CC[C@@H]1Nc2ccccc2NC2=[NH+]CCN21 ZINC000100261325 171150707 /nfs/dbraw/zinc/15/07/07/171150707.db2.gz ACUDNXQIDZIIQZ-LLVKDONJSA-N 1 0 216.288 1.741 10 0 BDAERO CC[C@@](C)(C[NH+]1CCC([NH+](C)C)CC1)C(=O)[O-] ZINC000051288028 171167551 /nfs/dbraw/zinc/16/75/51/171167551.db2.gz ROQMLQXGJRPFGQ-ZDUSSCGKSA-N 1 0 242.363 1.513 10 0 BDAERO CC[C@@](C)(C[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000054660277 171167592 /nfs/dbraw/zinc/16/75/92/171167592.db2.gz NFDHGBJQGPEDGC-UWVGGRQHSA-N 1 0 219.350 1.057 10 0 BDAERO CC[C@@]([NH3+])(C(N)=O)c1ccc(Cl)cc1 ZINC000037460000 171192896 /nfs/dbraw/zinc/19/28/96/171192896.db2.gz NCZFYGZSSGLCFW-JTQLQIEISA-N 1 0 212.680 1.389 10 0 BDAERO CC[C@@]1(C(=O)N[C@H](C)c2cccnc2)CCC[NH2+]1 ZINC000122361058 171198098 /nfs/dbraw/zinc/19/80/98/171198098.db2.gz WGEWMRZCRDSPSN-RISCZKNCSA-N 1 0 247.342 1.791 10 0 BDAERO CC[C@@]1(C)C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000246365842 171205771 /nfs/dbraw/zinc/20/57/71/171205771.db2.gz ADXPBHNKEMPGFF-MCRNWEMVSA-N 1 0 236.359 1.822 10 0 BDAERO CC[C@@]1(C)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000246365807 171207852 /nfs/dbraw/zinc/20/78/52/171207852.db2.gz ADXPBHNKEMPGFF-GTJHKJRQSA-N 1 0 236.359 1.822 10 0 BDAERO CC[C@@]1(c2ccc(C)cc2)C[C@]1(C[NH3+])CO ZINC000070500898 171216051 /nfs/dbraw/zinc/21/60/51/171216051.db2.gz NGIWRQIVXMXTJG-KBPBESRZSA-N 1 0 219.328 1.984 10 0 BDAERO CC[C@H](C(N)=O)N(CCC[NH3+])c1cccc(C)c1 ZINC000061676091 171243558 /nfs/dbraw/zinc/24/35/58/171243558.db2.gz WVIPWDGKEDMQDL-CYBMUJFWSA-N 1 0 249.358 1.414 10 0 BDAERO CC[C@H](C)C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000120539102 171287415 /nfs/dbraw/zinc/28/74/15/171287415.db2.gz SPXRCEVZICMVNL-VHSXEESVSA-N 1 0 208.309 1.229 10 0 BDAERO CC[C@H](C)C[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000309721023 171288067 /nfs/dbraw/zinc/28/80/67/171288067.db2.gz WAPQZTORFBEGIW-ONGXEEELSA-N 1 0 222.336 1.537 10 0 BDAERO CC[C@H](C)N(CC)c1c(CC[NH3+])c(C)nn1C ZINC000104280105 171312460 /nfs/dbraw/zinc/31/24/60/171312460.db2.gz LGLYPQCYQRCPCT-JTQLQIEISA-N 1 0 238.379 1.855 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc[nH]c1 ZINC000086252217 171334627 /nfs/dbraw/zinc/33/46/27/171334627.db2.gz VBBUVBZPBPLXFM-UWVGGRQHSA-N 1 0 223.320 1.408 10 0 BDAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CCOc2ccccc21 ZINC000038065007 171346910 /nfs/dbraw/zinc/34/69/10/171346910.db2.gz VWTDEUAKYDPMAC-HZMBPMFUSA-N 1 0 248.326 1.538 10 0 BDAERO CC[C@H](C)[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000037149159 171347925 /nfs/dbraw/zinc/34/79/25/171347925.db2.gz WVSIAKIMMLDDGZ-DTWKUNHWSA-N 1 0 208.309 1.673 10 0 BDAERO CC[C@H](C)[C@H](C[NH3+])N1CCn2ccnc2C1 ZINC000062248657 171391941 /nfs/dbraw/zinc/39/19/41/171391941.db2.gz HHJXCJLRFCUVMX-QWRGUYRKSA-N 1 0 222.336 1.072 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(CCOC)CC(C)C ZINC000037809096 171394151 /nfs/dbraw/zinc/39/41/51/171394151.db2.gz KMMWQJGJQJAWIZ-RYUDHWBXSA-N 1 0 244.379 1.491 10 0 BDAERO CC[C@H](C[NH3+])Oc1cc(OC)cc(OC)c1 ZINC000068844598 171431575 /nfs/dbraw/zinc/43/15/75/171431575.db2.gz YOQDZCCROCZEIE-SECBINFHSA-N 1 0 225.288 1.820 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000020195423 171452228 /nfs/dbraw/zinc/45/22/28/171452228.db2.gz GJFMORGCAPEBDK-GXSJLCMTSA-N 1 0 239.315 1.822 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000309910457 171453300 /nfs/dbraw/zinc/45/33/00/171453300.db2.gz MKRXGKJUOFFYLS-KKOKHZNYSA-N 1 0 227.348 1.551 10 0 BDAERO COc1cccc(OC)c1CN[C@@H]1CC[NH2+]C1 ZINC000665237786 412178903 /nfs/dbraw/zinc/17/89/03/412178903.db2.gz JWQHXQXWKRILPF-SNVBAGLBSA-N 1 0 236.315 1.155 10 0 BDAERO CC[C@H]([NH3+])COc1ccc(Cl)nc1 ZINC000013819731 171485418 /nfs/dbraw/zinc/48/54/18/171485418.db2.gz BJOGSPGIBBYBNS-ZETCQYMHSA-N 1 0 200.669 1.851 10 0 BDAERO CC[C@H]([NH3+])Cc1cccc(OCC(=O)OC)c1 ZINC000037726764 171486650 /nfs/dbraw/zinc/48/66/50/171486650.db2.gz XXIYFROSDHBZGI-NSHDSACASA-N 1 0 237.299 1.518 10 0 BDAERO CC[C@H]([NH3+])[C@@H](C)N1CCOCC1(C)C ZINC000042461908 171486972 /nfs/dbraw/zinc/48/69/72/171486972.db2.gz AXMKYENRJMYIKC-ZJUUUORDSA-N 1 0 200.326 1.223 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(F)c(F)c1 ZINC000036779163 171487604 /nfs/dbraw/zinc/48/76/04/171487604.db2.gz YZPGQAJYCUKURN-UWVGGRQHSA-N 1 0 201.216 1.736 10 0 BDAERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)n1cncn1 ZINC000042973137 171487998 /nfs/dbraw/zinc/48/79/98/171487998.db2.gz QIGWMMLEJZMARX-NWDGAFQWSA-N 1 0 234.278 1.744 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](Nc2cc[nH]n2)C1 ZINC000616659861 412199290 /nfs/dbraw/zinc/19/92/90/412199290.db2.gz FXEPGWBFPPGWFM-JTQLQIEISA-N 1 0 238.335 1.321 10 0 BDAERO C[C@H]1CC[C@@H](Nc2ccnc(N(C)C)n2)C[NH2+]1 ZINC000630533814 412261024 /nfs/dbraw/zinc/26/10/24/412261024.db2.gz RRDLMAVVMCSHLW-VHSXEESVSA-N 1 0 235.335 1.095 10 0 BDAERO C[C@@]1(CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1(F)F ZINC000662665385 412263143 /nfs/dbraw/zinc/26/31/43/412263143.db2.gz INAIPWCCERLPHC-QWRGUYRKSA-N 1 0 246.301 1.680 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000662666930 412264502 /nfs/dbraw/zinc/26/45/02/412264502.db2.gz PZSVEBKIPWAEMX-IJLUTSLNSA-N 1 0 242.363 1.434 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1=CCCC1 ZINC000662709247 412278229 /nfs/dbraw/zinc/27/82/29/412278229.db2.gz XZFUNARNXRYXQS-NSHDSACASA-N 1 0 210.321 1.586 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC[C@@H](C2CCC2)C1 ZINC000662711913 412279810 /nfs/dbraw/zinc/27/98/10/412279810.db2.gz CMSJJWOWSSZVGQ-QWHCGFSZSA-N 1 0 236.359 1.635 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCc1cccnc1 ZINC000132785121 412283587 /nfs/dbraw/zinc/28/35/87/412283587.db2.gz GGWALHLZKPMYGE-CHWSQXEVSA-N 1 0 247.342 1.258 10 0 BDAERO CC[C@H]1CCCCN1C(=O)n1cc[n+](C)c1 ZINC000037083692 171607053 /nfs/dbraw/zinc/60/70/53/171607053.db2.gz WXUCXBBVRKLOJK-NSHDSACASA-N 1 0 222.312 1.545 10 0 BDAERO C[NH+]1CCC(c2nccc(NC3CC3)n2)CC1 ZINC000575601392 412248312 /nfs/dbraw/zinc/24/83/12/412248312.db2.gz DGMHSYOCNPAXOI-UHFFFAOYSA-N 1 0 232.331 1.860 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cscn1 ZINC000662634016 412249796 /nfs/dbraw/zinc/24/97/96/412249796.db2.gz CNGHDOVCDIOLKV-HTQZYQBOSA-N 1 0 227.333 1.448 10 0 BDAERO CO[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000662834020 412315766 /nfs/dbraw/zinc/31/57/66/412315766.db2.gz CHLCWYSYALBPEH-VXGBXAGGSA-N 1 0 242.363 1.387 10 0 BDAERO CC(C)(F)CCNC(=O)C1CCC([NH3+])CC1 ZINC000662872585 412330771 /nfs/dbraw/zinc/33/07/71/412330771.db2.gz NQTHHEDDQRPPBS-UHFFFAOYSA-N 1 0 230.327 1.758 10 0 BDAERO CC[C@](C)([NH3+])c1noc([C@H]2CCCOC2)n1 ZINC000062243496 171696890 /nfs/dbraw/zinc/69/68/90/171696890.db2.gz VNBCVOLMWPEKTB-KWQFWETISA-N 1 0 225.292 1.548 10 0 BDAERO O=C(NC1CC2(CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000662907394 412342385 /nfs/dbraw/zinc/34/23/85/412342385.db2.gz UNXHHNHXPANREN-SECBINFHSA-N 1 0 208.305 1.045 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC(C)(C1CC1)C1CC1 ZINC000662914543 412343565 /nfs/dbraw/zinc/34/35/65/412343565.db2.gz BLMGMAZYRMSEIG-BXKDBHETSA-N 1 0 236.359 1.537 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC1(CC(C)C)CC1 ZINC000662927026 412347914 /nfs/dbraw/zinc/34/79/14/412347914.db2.gz YXLNKVDILQPPDK-JTQLQIEISA-N 1 0 212.337 1.809 10 0 BDAERO CCCOc1nccnc1N[C@H](C)C[NH2+]C ZINC000630518319 412359377 /nfs/dbraw/zinc/35/93/77/412359377.db2.gz GLURLBQUFGOIKS-SECBINFHSA-N 1 0 224.308 1.285 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000662970965 412360240 /nfs/dbraw/zinc/36/02/40/412360240.db2.gz VYZHFYQLGQYHOY-VHSXEESVSA-N 1 0 236.319 1.055 10 0 BDAERO CCCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662974982 412361303 /nfs/dbraw/zinc/36/13/03/412361303.db2.gz CJFXOPSRCFMDLZ-ZCFIWIBFSA-N 1 0 212.215 1.135 10 0 BDAERO CC(C)CCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662976910 412361496 /nfs/dbraw/zinc/36/14/96/412361496.db2.gz HVNKUUVEBQNTQV-MRVPVSSYSA-N 1 0 240.269 1.771 10 0 BDAERO CC(C)CC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662977768 412361755 /nfs/dbraw/zinc/36/17/55/412361755.db2.gz WLMWLKZOIZJMSV-SSDOTTSWSA-N 1 0 226.242 1.381 10 0 BDAERO CC1CC(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000662982908 412363010 /nfs/dbraw/zinc/36/30/10/412363010.db2.gz ZAQQEPQVQKFUAQ-RRQHEKLDSA-N 1 0 238.253 1.381 10 0 BDAERO CC[C@@H](C)CC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662983599 412363317 /nfs/dbraw/zinc/36/33/17/412363317.db2.gz DIPQWYDFDIKWKC-HTQZYQBOSA-N 1 0 240.269 1.771 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616617206 412296674 /nfs/dbraw/zinc/29/66/74/412296674.db2.gz NFHVMLFFSUMALH-SNVBAGLBSA-N 1 0 208.309 1.694 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ncccc1Br ZINC000663279208 412402867 /nfs/dbraw/zinc/40/28/67/412402867.db2.gz PVZUTADNFQYSGG-ZETCQYMHSA-N 1 0 244.136 1.864 10 0 BDAERO CCCc1nccnc1N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000663271214 412403350 /nfs/dbraw/zinc/40/33/50/412403350.db2.gz ZKDOWTBQTWQGKQ-NWDGAFQWSA-N 1 0 248.374 1.993 10 0 BDAERO c1cc2c(ncnc2NCC23CC(C2)C[NH2+]3)s1 ZINC000663274052 412404389 /nfs/dbraw/zinc/40/43/89/412404389.db2.gz LQGYFWCBJWMPDY-UHFFFAOYSA-N 1 0 246.339 1.855 10 0 BDAERO CCCc1nccnc1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000663273169 412404599 /nfs/dbraw/zinc/40/45/99/412404599.db2.gz XRJSVLTVOVMJKR-WDEREUQCSA-N 1 0 234.347 1.603 10 0 BDAERO CC(C)c1cc(NCC23CC(C2)C[NH2+]3)ncn1 ZINC000663274524 412404989 /nfs/dbraw/zinc/40/49/89/412404989.db2.gz SDWJVBYGCGIODB-UHFFFAOYSA-N 1 0 232.331 1.764 10 0 BDAERO Clc1cnccc1NCC12CC(C1)C[NH2+]2 ZINC000663275283 412405130 /nfs/dbraw/zinc/40/51/30/412405130.db2.gz UWNIJXQFBUQMIF-UHFFFAOYSA-N 1 0 223.707 1.321 10 0 BDAERO CC(C)[C@H]([NH3+])CCNc1ncnc2[nH]ccc21 ZINC000663276400 412406485 /nfs/dbraw/zinc/40/64/85/412406485.db2.gz WABSYZICPZNDED-SNVBAGLBSA-N 1 0 233.319 1.743 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ccc(C(F)(F)F)nn1 ZINC000663276728 412406822 /nfs/dbraw/zinc/40/68/22/412406822.db2.gz ACHPDVNMHITKMM-LURJTMIESA-N 1 0 234.225 1.515 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nc2ccccc2nc1C ZINC000663278623 412407325 /nfs/dbraw/zinc/40/73/25/412407325.db2.gz KWEXKBJVDVYZRQ-SECBINFHSA-N 1 0 230.315 1.958 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nc(C(F)(F)F)ns1 ZINC000663278023 412407568 /nfs/dbraw/zinc/40/75/68/412407568.db2.gz BKTBXQBILRXIAM-BYPYZUCNSA-N 1 0 240.254 1.577 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nccc(C(F)(F)F)n1 ZINC000663281119 412409170 /nfs/dbraw/zinc/40/91/70/412409170.db2.gz QMBLZWRIQWXZMY-LURJTMIESA-N 1 0 234.225 1.515 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ncc(Cl)cc1F ZINC000663281041 412409485 /nfs/dbraw/zinc/40/94/85/412409485.db2.gz NSZHUNBTBLWDMG-LURJTMIESA-N 1 0 217.675 1.894 10 0 BDAERO CCc1ccc(N(C)C[C@H](O)CC[NH3+])cc1 ZINC000077334553 171816208 /nfs/dbraw/zinc/81/62/08/171816208.db2.gz PSCYEXMRJLALGW-CYBMUJFWSA-N 1 0 222.332 1.395 10 0 BDAERO CCc1ccc([C@H]2C[C@]2(C[NH3+])CO)cc1 ZINC000070500195 171846036 /nfs/dbraw/zinc/84/60/36/171846036.db2.gz UZYJKJJTRQANDA-OLZOCXBDSA-N 1 0 205.301 1.674 10 0 BDAERO CCc1ccccc1N(C)C[C@@H](O)C[NH2+]C ZINC000077334507 171883627 /nfs/dbraw/zinc/88/36/27/171883627.db2.gz LNRKIUWZINGKRE-LBPRGKRZSA-N 1 0 222.332 1.266 10 0 BDAERO CCc1ccccc1NC(=O)[C@@H](C)[NH2+]C ZINC000052395648 171886644 /nfs/dbraw/zinc/88/66/44/171886644.db2.gz GKBOQRKVXQMQEB-SECBINFHSA-N 1 0 206.289 1.795 10 0 BDAERO C[C@H]1CN(CCOCc2ccccc2)C[C@@H]1[NH3+] ZINC000306635825 487623846 /nfs/dbraw/zinc/62/38/46/487623846.db2.gz ALVPRXZEJRPGFM-JSGCOSHPSA-N 1 0 234.343 1.482 10 0 BDAERO CCc1nc2n(n1)C[C@H]([NH2+]CCC(C)C)CC2 ZINC000237063870 172015100 /nfs/dbraw/zinc/01/51/00/172015100.db2.gz DIQNWCBNBONPOS-LLVKDONJSA-N 1 0 236.363 1.791 10 0 BDAERO CCc1nnc(CN2CCC([C@@H](C)[NH3+])CC2)o1 ZINC000104140779 172047666 /nfs/dbraw/zinc/04/76/66/172047666.db2.gz SPRSILPDNBLSBZ-SECBINFHSA-N 1 0 238.335 1.191 10 0 BDAERO CCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2C)n1C ZINC000309953718 172054088 /nfs/dbraw/zinc/05/40/88/172054088.db2.gz HIJFADQNYURYKG-VHSXEESVSA-N 1 0 222.336 1.656 10 0 BDAERO CCn1c(C)nnc1C[NH2+]C1CCCC1 ZINC000042029785 172139022 /nfs/dbraw/zinc/13/90/22/172139022.db2.gz UGCOXEDGGIBEBO-UHFFFAOYSA-N 1 0 208.309 1.639 10 0 BDAERO CCn1c(C)nnc1[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070501963 172142224 /nfs/dbraw/zinc/14/22/24/172142224.db2.gz FDWDBJPIVLTFHG-VHSXEESVSA-N 1 0 208.309 1.591 10 0 BDAERO CCn1c(CC[NH2+]C)nc2ccc(F)cc21 ZINC000052124620 172144892 /nfs/dbraw/zinc/14/48/92/172144892.db2.gz NUKVEECYSGARHY-UHFFFAOYSA-N 1 0 221.279 1.957 10 0 BDAERO CCn1cc(C[C@H]2CCCC[C@@H]2[NH3+])cn1 ZINC000050540741 172177344 /nfs/dbraw/zinc/17/73/44/172177344.db2.gz PQMWROOZUBUMLH-NEPJUHHUSA-N 1 0 207.321 1.963 10 0 BDAERO CCn1cc([C@H]([NH3+])Cc2cccnc2)cn1 ZINC000053130936 172199707 /nfs/dbraw/zinc/19/97/07/172199707.db2.gz MJJQZOZNURJYEW-GFCCVEGCSA-N 1 0 216.288 1.541 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)CCCO ZINC000087358458 172209141 /nfs/dbraw/zinc/20/91/41/172209141.db2.gz CXNUPXMZBNCOTN-NSHDSACASA-N 1 0 210.321 1.759 10 0 BDAERO CCn1ccnc1CN1CCCC[C@@H]1C[NH3+] ZINC000054743838 172219045 /nfs/dbraw/zinc/21/90/45/172219045.db2.gz RNAMMAPVAMZEBR-LLVKDONJSA-N 1 0 222.336 1.216 10 0 BDAERO CCn1cnnc1C1([NH3+])CCCCCC1 ZINC000054497763 172233034 /nfs/dbraw/zinc/23/30/34/172233034.db2.gz WAPNFWGVNKKDTA-UHFFFAOYSA-N 1 0 208.309 1.806 10 0 BDAERO CCn1cnnc1[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000054497787 172239323 /nfs/dbraw/zinc/23/93/23/172239323.db2.gz LUPDGCUGEMTCLZ-LBPRGKRZSA-N 1 0 249.362 1.187 10 0 BDAERO CCn1nc(C)c(CN2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000307972437 172245134 /nfs/dbraw/zinc/24/51/34/172245134.db2.gz KXENEMCXFJMKOE-WCQYABFASA-N 1 0 236.363 1.441 10 0 BDAERO CCn1ncnc1CC1(C[NH3+])CCCCC1 ZINC000054499050 172279468 /nfs/dbraw/zinc/27/94/68/172279468.db2.gz RSIROPCHLKSJJA-UHFFFAOYSA-N 1 0 222.336 1.750 10 0 BDAERO CN(C(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000037470254 172318297 /nfs/dbraw/zinc/31/82/97/172318297.db2.gz JUGYNPFKPIXCNJ-SECBINFHSA-N 1 0 213.325 1.178 10 0 BDAERO CN(C(=O)c1ccc(C[NH3+])cn1)C1CCCCC1 ZINC000104216701 172339051 /nfs/dbraw/zinc/33/90/51/172339051.db2.gz LAXGRSYCHFMUOI-UHFFFAOYSA-N 1 0 247.342 1.945 10 0 BDAERO CN(C(=O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000037540974 172340631 /nfs/dbraw/zinc/34/06/31/172340631.db2.gz RNPGBFKFMKGEDA-GFCCVEGCSA-N 1 0 236.290 1.650 10 0 BDAERO CN(C(=O)c1ccc2c(c1)CCC2)C1C[NH2+]C1 ZINC000090289807 172341581 /nfs/dbraw/zinc/34/15/81/172341581.db2.gz MVFZEYRLXNBJBV-UHFFFAOYSA-N 1 0 230.311 1.219 10 0 BDAERO CN(C(=O)c1ccoc1)[C@@H]1CCC[NH2+]C1 ZINC000037470148 172345364 /nfs/dbraw/zinc/34/53/64/172345364.db2.gz ZNZFCDKIYNVIMV-SNVBAGLBSA-N 1 0 208.261 1.104 10 0 BDAERO CN(C(=O)c1nccc2ccccc21)C1C[NH2+]C1 ZINC000090289672 172348882 /nfs/dbraw/zinc/34/88/82/172348882.db2.gz JFCBVNGNZPCDGX-UHFFFAOYSA-N 1 0 241.294 1.279 10 0 BDAERO CN(C)C(=O)CC[NH2+][C@@H]1CCOc2ccccc21 ZINC000037751680 172360744 /nfs/dbraw/zinc/36/07/44/172360744.db2.gz MOEDIDFANZTRQS-GFCCVEGCSA-N 1 0 248.326 1.578 10 0 BDAERO CN(C)C(=O)c1ccccc1NC1CC[NH2+]CC1 ZINC000038041329 172392587 /nfs/dbraw/zinc/39/25/87/172392587.db2.gz VRFOLAOTEMCUFG-UHFFFAOYSA-N 1 0 247.342 1.552 10 0 BDAERO C[NH+](C)CCCNC(=O)c1ccc(C=O)cc1 ZINC000039320561 172438821 /nfs/dbraw/zinc/43/88/21/172438821.db2.gz MFXQNSYMWLHFOQ-UHFFFAOYSA-N 1 0 234.299 1.181 10 0 BDAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(N)cn1 ZINC000061642766 172485695 /nfs/dbraw/zinc/48/56/95/172485695.db2.gz NUFFECHVUWPVPF-NSHDSACASA-N 1 0 220.320 1.194 10 0 BDAERO C[NH+](C)C[C@H]1CCCN1c1ccc(N)nc1 ZINC000061642870 172496116 /nfs/dbraw/zinc/49/61/16/172496116.db2.gz IKNFGDLNPROVIP-LLVKDONJSA-N 1 0 220.320 1.194 10 0 BDAERO CN(C)[C@@](C)(C[NH3+])c1ccc(F)cc1F ZINC000082642459 172531908 /nfs/dbraw/zinc/53/19/08/172531908.db2.gz UVEJHVFXFZDDBZ-NSHDSACASA-N 1 0 214.259 1.700 10 0 BDAERO CN(C)c1ccc([C@@H](O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000041264031 172558987 /nfs/dbraw/zinc/55/89/87/172558987.db2.gz ZDRCYXFZUYLILC-UONOGXRCSA-N 1 0 234.343 1.928 10 0 BDAERO CN(CC1CCOCC1)c1cc[nH+]cc1N ZINC000052173250 172663885 /nfs/dbraw/zinc/66/38/85/172663885.db2.gz QUDZVVISGXHGRE-UHFFFAOYSA-N 1 0 221.304 1.527 10 0 BDAERO CN(CC[NH2+]C[C@H]1CCOC1)Cc1cccnc1 ZINC000053383482 172746300 /nfs/dbraw/zinc/74/63/00/172746300.db2.gz RXNSOCUJJCEMFR-CQSZACIVSA-N 1 0 249.358 1.140 10 0 BDAERO CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037823186 172855663 /nfs/dbraw/zinc/85/56/63/172855663.db2.gz ZBRPXBIFQSQOQK-GFCCVEGCSA-N 1 0 248.326 1.350 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000054243338 173004958 /nfs/dbraw/zinc/00/49/58/173004958.db2.gz CCZPDKAYDYYGKD-QWHCGFSZSA-N 1 0 226.364 1.487 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CNCc1ncccn1 ZINC000054459642 173004982 /nfs/dbraw/zinc/00/49/82/173004982.db2.gz WANARAOPZLXMJQ-LLVKDONJSA-N 1 0 220.320 1.051 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1c1cccc(C(N)=O)c1 ZINC000075906917 173007944 /nfs/dbraw/zinc/00/79/44/173007944.db2.gz JEJIUJTYOOTBNZ-GFCCVEGCSA-N 1 0 218.300 1.942 10 0 BDAERO CN1CCCC[C@H]1C[NH2+]Cc1cnccn1 ZINC000054766706 173009355 /nfs/dbraw/zinc/00/93/55/173009355.db2.gz BTLCRIHFQLMMIK-LBPRGKRZSA-N 1 0 220.320 1.051 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CNc1ccc(N)cn1 ZINC000044563719 173010180 /nfs/dbraw/zinc/01/01/80/173010180.db2.gz WVEMCVKMZMZMQB-NSHDSACASA-N 1 0 220.320 1.560 10 0 BDAERO C[N@@H+]1CCCN(c2ccc(C(N)=S)cc2)CC1 ZINC000020246584 173016099 /nfs/dbraw/zinc/01/60/99/173016099.db2.gz OXTFGKHKYFORDH-UHFFFAOYSA-N 1 0 249.383 1.463 10 0 BDAERO C[N@@H+]1CCCNC(=O)C[C@@H]1c1ccccc1 ZINC000147121281 173019500 /nfs/dbraw/zinc/01/95/00/173019500.db2.gz JJXMWFHHPADLCT-GFCCVEGCSA-N 1 0 218.300 1.570 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2cccc(F)n2)C1 ZINC000040716513 173020308 /nfs/dbraw/zinc/02/03/08/173020308.db2.gz QAPZMZXYYQWZBB-SECBINFHSA-N 1 0 209.268 1.727 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CCO)C1 ZINC000336697134 173029455 /nfs/dbraw/zinc/02/94/55/173029455.db2.gz HVXSSAVIFAXPEG-CHWSQXEVSA-N 1 0 226.364 1.175 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ccc(Cl)nn2)C1 ZINC000040673515 173045652 /nfs/dbraw/zinc/04/56/52/173045652.db2.gz ILUHVNXWJVYYJT-QMMMGPOBSA-N 1 0 226.711 1.636 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ncccc2F)C1 ZINC000054700725 173046515 /nfs/dbraw/zinc/04/65/15/173046515.db2.gz HHBAVYJHBXNFLT-VIFPVBQESA-N 1 0 209.268 1.727 10 0 BDAERO CN1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000310105393 173084871 /nfs/dbraw/zinc/08/48/71/173084871.db2.gz ZYOMXNHFWXZSBT-CYBMUJFWSA-N 1 0 232.327 1.238 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000245449513 173101605 /nfs/dbraw/zinc/10/16/05/173101605.db2.gz NUHQTFFIXOKKCO-ZFWWWQNUSA-N 1 0 246.354 1.594 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2cc(Cl)ncn2)C1 ZINC000048631296 173118555 /nfs/dbraw/zinc/11/85/55/173118555.db2.gz FPWPUCYKBCJGFG-QMMMGPOBSA-N 1 0 226.711 1.494 10 0 BDAERO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(N)c2)C1 ZINC000042549551 173121217 /nfs/dbraw/zinc/12/12/17/173121217.db2.gz KPXIUKMSTOKUJG-LLVKDONJSA-N 1 0 234.303 1.094 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc3ncccc3c2N)C1 ZINC000042545074 173126174 /nfs/dbraw/zinc/12/61/74/173126174.db2.gz SCIQXHANTUAVKT-SNVBAGLBSA-N 1 0 242.326 1.933 10 0 BDAERO C[N@@H+]1CC[C@@](CO)(Nc2ccc(Cl)cc2)C1 ZINC000061992170 173136906 /nfs/dbraw/zinc/13/69/06/173136906.db2.gz HSHLTOCNKSHCCI-GFCCVEGCSA-N 1 0 240.734 1.819 10 0 BDAERO CN(Cc1cccc(O)c1)C[C@H]1CC[N@H+](C)C1 ZINC000156019694 173143805 /nfs/dbraw/zinc/14/38/05/173143805.db2.gz JYLRGWZQWNELMO-ZDUSSCGKSA-N 1 0 234.343 1.776 10 0 BDAERO C[N@@H+]1CC[C@](CO)(Nc2cccc(F)c2)C1 ZINC000061992167 173162277 /nfs/dbraw/zinc/16/22/77/173162277.db2.gz ZESOUQVHAWRQDW-LBPRGKRZSA-N 1 0 224.279 1.304 10 0 BDAERO CN1C[C@H](c2cccc(Cl)c2)NC1=[NH2+] ZINC000206944124 173196244 /nfs/dbraw/zinc/19/62/44/173196244.db2.gz OUAGNCXOFNAFLZ-SECBINFHSA-N 1 0 209.680 1.641 10 0 BDAERO C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(-c3nc[nH]n3)sc12 ZINC000061844250 173207270 /nfs/dbraw/zinc/20/72/70/173207270.db2.gz SSNYJASUBWXZOW-POYBYMJQSA-N 1 0 247.327 1.620 10 0 BDAERO CNC(=[NH2+])N(C)Cc1cccc(OC)c1 ZINC000052018783 173210087 /nfs/dbraw/zinc/21/00/87/173210087.db2.gz DNGXFQJMMFFJII-UHFFFAOYSA-N 1 0 207.277 1.281 10 0 BDAERO CNC(=[NH2+])N[C@@H](C)CCc1ccccc1 ZINC000052036021 173210562 /nfs/dbraw/zinc/21/05/62/173210562.db2.gz ACGZCJSJXPAMFQ-JTQLQIEISA-N 1 0 205.305 1.751 10 0 BDAERO CNC(=O)C[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000036846190 173277115 /nfs/dbraw/zinc/27/71/15/173277115.db2.gz SONVBVSXXKLGLZ-UHFFFAOYSA-N 1 0 232.327 1.577 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000037207633 173277559 /nfs/dbraw/zinc/27/75/59/173277559.db2.gz SZSGZEGMJXRCKX-NSHDSACASA-N 1 0 220.316 1.700 10 0 BDAERO CNC(=O)CNc1cc(C)nc(C(C)C)n1 ZINC000035121397 173278522 /nfs/dbraw/zinc/27/85/22/173278522.db2.gz CRKSRRYGEAAWTE-UHFFFAOYSA-N 1 0 222.292 1.066 10 0 BDAERO CNC(=O)COc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746608 173279167 /nfs/dbraw/zinc/27/91/67/173279167.db2.gz YINANIYYYSJDFG-QMMMGPOBSA-N 1 0 240.278 1.231 10 0 BDAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000120020889 173287923 /nfs/dbraw/zinc/28/79/23/173287923.db2.gz DFCMMXGWBGICMI-JTQLQIEISA-N 1 0 249.314 1.101 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)nc1C ZINC000042562044 173295527 /nfs/dbraw/zinc/29/55/27/173295527.db2.gz NTHZVLHFGFDNDE-VXGBXAGGSA-N 1 0 249.358 1.792 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000042562039 173295859 /nfs/dbraw/zinc/29/58/59/173295859.db2.gz KIXGPAIDNIANBH-NXEZZACHSA-N 1 0 248.326 1.407 10 0 BDAERO CNC(=O)[C@@H](CCC[NH3+])c1ccc(OC)cc1 ZINC000076619119 173296295 /nfs/dbraw/zinc/29/62/95/173296295.db2.gz OHFJZPLIQXVBKG-LBPRGKRZSA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043534345 173302491 /nfs/dbraw/zinc/30/24/91/173302491.db2.gz DIZCIWUBEUYAFZ-NEPJUHHUSA-N 1 0 234.343 1.904 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000042561587 173303466 /nfs/dbraw/zinc/30/34/66/173303466.db2.gz HRKJAZOEOOGZHT-GZMMTYOYSA-N 1 0 234.299 1.104 10 0 BDAERO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037320735 173304670 /nfs/dbraw/zinc/30/46/70/173304670.db2.gz RBHQDXCEGRDLBG-XQHKEYJVSA-N 1 0 236.359 1.701 10 0 BDAERO CNC(=O)c1ccc(NC2CC[NH2+]CC2)c(C)c1 ZINC000038041341 173310812 /nfs/dbraw/zinc/31/08/12/173310812.db2.gz VPLFIWPWTSOXKU-UHFFFAOYSA-N 1 0 247.342 1.519 10 0 BDAERO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C)C2)cc1 ZINC000061985209 173311292 /nfs/dbraw/zinc/31/12/92/173311292.db2.gz OIAOOPIUUBJFSL-GFCCVEGCSA-N 1 0 233.315 1.162 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000061316311 173318238 /nfs/dbraw/zinc/31/82/38/173318238.db2.gz ORZGDMYRHFWJQG-UHFFFAOYSA-N 1 0 232.287 1.499 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1cccs1 ZINC000061300456 173318656 /nfs/dbraw/zinc/31/86/56/173318656.db2.gz OSMXJUBMSFZMAG-QMMMGPOBSA-N 1 0 226.345 1.923 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1nc(C)cc(C)n1 ZINC000061300297 173318930 /nfs/dbraw/zinc/31/89/30/173318930.db2.gz TZMCLMGJYPMUBB-UHFFFAOYSA-N 1 0 222.292 1.030 10 0 BDAERO C[NH2+]C(C)(C)CN1C[C@@H](C)OC(C)(C)C1 ZINC000061319799 173319247 /nfs/dbraw/zinc/31/92/47/173319247.db2.gz NEFIVFZJBGBRAF-SNVBAGLBSA-N 1 0 214.353 1.484 10 0 BDAERO C[NH2+]C(C)(C)c1nc(-c2cccs2)n[nH]1 ZINC000061152176 173320945 /nfs/dbraw/zinc/32/09/45/173320945.db2.gz NWKINHWRTRWLFZ-UHFFFAOYSA-N 1 0 222.317 1.988 10 0 BDAERO C[NH2+]C1CCC(NC(=O)CC(C)C)CC1 ZINC000036880531 173322334 /nfs/dbraw/zinc/32/23/34/173322334.db2.gz ZSVPAMREFRUGFL-UHFFFAOYSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]CC(=O)NCCN(C)c1ccc(C)cc1C ZINC000077429257 173328880 /nfs/dbraw/zinc/32/88/80/173328880.db2.gz GQXSGGBUMBCJTN-UHFFFAOYSA-N 1 0 249.358 1.075 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](C)c1ccccc1F ZINC000037495881 173331881 /nfs/dbraw/zinc/33/18/81/173331881.db2.gz ZBDBONSJIIDYRL-QMMMGPOBSA-N 1 0 210.252 1.222 10 0 BDAERO C[NH2+]CC(=O)Nc1c(C)nn(C(C)C)c1C ZINC000037771070 173332822 /nfs/dbraw/zinc/33/28/22/173332822.db2.gz SDAHEYGVHUWTEQ-UHFFFAOYSA-N 1 0 224.308 1.239 10 0 BDAERO C[NH2+]CC(=O)c1cc(C)c(OC)cc1C ZINC000041215961 173335271 /nfs/dbraw/zinc/33/52/71/173335271.db2.gz JACXWTVUYUZOCX-UHFFFAOYSA-N 1 0 207.273 1.714 10 0 BDAERO C[NH2+]CC(=O)Nc1cccc(F)c1F ZINC000040231007 173335321 /nfs/dbraw/zinc/33/53/21/173335321.db2.gz ZEAYRWVMYJFZDK-UHFFFAOYSA-N 1 0 200.188 1.123 10 0 BDAERO C[NH2+]CC(=O)c1ccc(Br)s1 ZINC000041262188 173335885 /nfs/dbraw/zinc/33/58/85/173335885.db2.gz YVMMWXNAPLCCIP-UHFFFAOYSA-N 1 0 234.118 1.913 10 0 BDAERO C[NH2+]CC(=O)c1cccc(Br)c1 ZINC000041619315 173336129 /nfs/dbraw/zinc/33/61/29/173336129.db2.gz DPBNPCJUVQDXIP-UHFFFAOYSA-N 1 0 228.089 1.851 10 0 BDAERO C[NH2+]CC(=O)c1ccc2scnc2c1 ZINC000082593896 173336976 /nfs/dbraw/zinc/33/69/76/173336976.db2.gz UHHGVINUDFUWFI-UHFFFAOYSA-N 1 0 206.270 1.698 10 0 BDAERO C[NH2+]CCC(=O)NCCc1ccc2ncoc2c1 ZINC000077416816 173340876 /nfs/dbraw/zinc/34/08/76/173340876.db2.gz KBIZQWURSSCWOI-UHFFFAOYSA-N 1 0 247.298 1.096 10 0 BDAERO C[NH2+]CCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000043600397 173341538 /nfs/dbraw/zinc/34/15/38/173341538.db2.gz KIDCBMKBDOFZFN-UHFFFAOYSA-N 1 0 244.298 1.420 10 0 BDAERO C[NH2+]CCCC(=O)N(CCOC)[C@@H](C)C1CC1 ZINC000037814783 173342549 /nfs/dbraw/zinc/34/25/49/173342549.db2.gz SXEVJHAFPCJFSX-NSHDSACASA-N 1 0 242.363 1.260 10 0 BDAERO C[NH2+]CCCC(=O)NC1(CO)CCC(C)CC1 ZINC000053127436 173343603 /nfs/dbraw/zinc/34/36/03/173343603.db2.gz MQQPUSDGQUOCMG-UHFFFAOYSA-N 1 0 242.363 1.043 10 0 BDAERO C[NH2+]CCCCC(=O)N(C)C1CCCC1 ZINC000077305131 173345200 /nfs/dbraw/zinc/34/52/00/173345200.db2.gz HECLUARKEUYZQA-UHFFFAOYSA-N 1 0 212.337 1.777 10 0 BDAERO C[NH2+]CCCC(=O)Nc1cccc2c[nH]nc21 ZINC000037611470 173345405 /nfs/dbraw/zinc/34/54/05/173345405.db2.gz NKIULLUXQOZGHZ-UHFFFAOYSA-N 1 0 232.287 1.501 10 0 BDAERO C[NH2+]CCCNCc1ccncc1Cl ZINC000083347683 173349955 /nfs/dbraw/zinc/34/99/55/173349955.db2.gz PIEFWKMIZZVUPU-UHFFFAOYSA-N 1 0 213.712 1.434 10 0 BDAERO C[NH2+]CCC[C@H](O)c1ccc(OC)cc1OC ZINC000076858217 173350539 /nfs/dbraw/zinc/35/05/39/173350539.db2.gz IBJHVOSAFYTZOB-LBPRGKRZSA-N 1 0 239.315 1.737 10 0 BDAERO C[NH2+]CCCc1nc2ccc(F)cc2n1C ZINC000052124405 173351615 /nfs/dbraw/zinc/35/16/15/173351615.db2.gz JDZCLQSCIKCPFE-UHFFFAOYSA-N 1 0 221.279 1.864 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc(F)c(C)c1 ZINC000077337243 173352807 /nfs/dbraw/zinc/35/28/07/173352807.db2.gz BNLWBHPVFYMJAE-UHFFFAOYSA-N 1 0 224.323 1.828 10 0 BDAERO C[NH2+]CCSc1nc2ccccc2[nH]1 ZINC000010382564 173357488 /nfs/dbraw/zinc/35/74/88/173357488.db2.gz JFZLIOWRUXLIJR-UHFFFAOYSA-N 1 0 207.302 1.874 10 0 BDAERO C[NH2+]CC[C@H](C)N1C[C@@H](C)OC(C)(C)C1 ZINC000052543469 173358577 /nfs/dbraw/zinc/35/85/77/173358577.db2.gz DVJKYUWEIHSFGQ-WDEREUQCSA-N 1 0 214.353 1.484 10 0 BDAERO C[NH2+]CC[C@H](O)c1cc(OC)ccc1OC ZINC000049820065 173359086 /nfs/dbraw/zinc/35/90/86/173359086.db2.gz KGJCXCATYVNZHQ-NSHDSACASA-N 1 0 225.288 1.347 10 0 BDAERO C[NH2+]CCc1ccc(O)c(Br)c1 ZINC000083071109 173359684 /nfs/dbraw/zinc/35/96/84/173359684.db2.gz AINJSQXLMHMVIX-UHFFFAOYSA-N 1 0 230.105 1.917 10 0 BDAERO C[NH2+]CCc1nc(C)cc(C(C)(C)C)n1 ZINC000070951141 173360875 /nfs/dbraw/zinc/36/08/75/173360875.db2.gz JVRQVARAAFACQS-UHFFFAOYSA-N 1 0 207.321 1.844 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1cccc(F)c1F ZINC000062654381 173364843 /nfs/dbraw/zinc/36/48/43/173364843.db2.gz LUXVRHDCMPYHIQ-SSDOTTSWSA-N 1 0 201.216 1.952 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000055027266 173366075 /nfs/dbraw/zinc/36/60/75/173366075.db2.gz YUPMHTVXODILBC-SECBINFHSA-N 1 0 248.095 1.841 10 0 BDAERO C[NH2+]C[C@@H](O)c1cnc2ccccc2c1 ZINC000071494373 173366508 /nfs/dbraw/zinc/36/65/08/173366508.db2.gz TUIPVDABRXGPHU-GFCCVEGCSA-N 1 0 202.257 1.488 10 0 BDAERO C[NH2+]C[C@@H](c1ccccc1)n1cncn1 ZINC000052575270 173367122 /nfs/dbraw/zinc/36/71/22/173367122.db2.gz HMYJRBPIIBUROO-NSHDSACASA-N 1 0 202.261 1.087 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1Cc1cn2ccccc2n1 ZINC000042390290 173369939 /nfs/dbraw/zinc/36/99/39/173369939.db2.gz HZVVCVGPDSFNFD-ZDUSSCGKSA-N 1 0 244.342 1.518 10 0 BDAERO C[NH2+]C[C@@H]1CN(C2CCCCCC2)CCO1 ZINC000071532960 173371403 /nfs/dbraw/zinc/37/14/03/173371403.db2.gz QYXILABFVYLXDL-CYBMUJFWSA-N 1 0 226.364 1.629 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc2c(c1)CCO2 ZINC000036155009 173373181 /nfs/dbraw/zinc/37/31/81/173373181.db2.gz SVPXZDRFTWAGKL-GFCCVEGCSA-N 1 0 207.273 1.048 10 0 BDAERO C[NH2+]C[C@H](O)CSc1ccc(C)cc1 ZINC000019686865 173376499 /nfs/dbraw/zinc/37/64/99/173376499.db2.gz CNFRTXJNPDNFRP-JTQLQIEISA-N 1 0 211.330 1.667 10 0 BDAERO C[NH2+]C[C@H](O)CSc1ccc(OC)cc1 ZINC000019686881 173376760 /nfs/dbraw/zinc/37/67/60/173376760.db2.gz RBDSBUCCXZRLBF-VIFPVBQESA-N 1 0 227.329 1.368 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc2c(c1)OCCCO2 ZINC000041242173 173377162 /nfs/dbraw/zinc/37/71/62/173377162.db2.gz JKNFCXGGMGSSNA-JTQLQIEISA-N 1 0 223.272 1.101 10 0 BDAERO C[NH2+]C[C@H]1CCCN(C(=O)C2[C@@H]3CCC[C@H]23)C1 ZINC000125832657 173379153 /nfs/dbraw/zinc/37/91/53/173379153.db2.gz DMJNVBQKEHWJBF-FKJOKYEKSA-N 1 0 236.359 1.491 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000011892218 173381672 /nfs/dbraw/zinc/38/16/72/173381672.db2.gz YKIHUQBKALNEAY-SNVBAGLBSA-N 1 0 208.280 1.871 10 0 BDAERO C[NH2+]C[C@H]1CN(c2ccccc2F)C(=O)O1 ZINC000077336759 173382502 /nfs/dbraw/zinc/38/25/02/173382502.db2.gz JQBPZVKUUCRFSM-QMMMGPOBSA-N 1 0 224.235 1.370 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc(Cl)s1 ZINC000036157851 173383041 /nfs/dbraw/zinc/38/30/41/173383041.db2.gz YMTBHEPBURDONG-QMMMGPOBSA-N 1 0 205.710 1.828 10 0 BDAERO C[NH2+]C[C@](C)(O)c1cccc(Br)c1 ZINC000055032662 173383563 /nfs/dbraw/zinc/38/35/63/173383563.db2.gz TUNOIFCNDNYLAT-JTQLQIEISA-N 1 0 244.132 1.876 10 0 BDAERO C[NH2+]C[C@](C)(O)c1cc(OC)ccc1OC ZINC000001996179 173383598 /nfs/dbraw/zinc/38/35/98/173383598.db2.gz BWLTUONQPSGLSS-LBPRGKRZSA-N 1 0 225.288 1.131 10 0 BDAERO C[NH2+]Cc1c(Cl)cccc1N1CC[C@H](O)C1 ZINC000061711216 173384703 /nfs/dbraw/zinc/38/47/03/173384703.db2.gz HASXQXDTAFHBLK-VIFPVBQESA-N 1 0 240.734 1.630 10 0 BDAERO C[NH2+]Cc1cc(OC2CCOCC2)ccn1 ZINC000051522240 173386981 /nfs/dbraw/zinc/38/69/81/173386981.db2.gz OQWXQURKTGZEKP-UHFFFAOYSA-N 1 0 222.288 1.359 10 0 BDAERO C[NH2+]Cc1cc(Cn2ccnc2C)oc1C ZINC000052576072 173386995 /nfs/dbraw/zinc/38/69/95/173386995.db2.gz SCBKYWFYCAYFCH-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+]Cc1cc(N2CCC[C@@H]2C)ccn1 ZINC000051398839 173387276 /nfs/dbraw/zinc/38/72/76/173387276.db2.gz QHEOUHAMMRIHFE-JTQLQIEISA-N 1 0 205.305 1.790 10 0 BDAERO C[NH2+]Cc1ccc(N2CCCSCC2)nc1 ZINC000051520809 173388555 /nfs/dbraw/zinc/38/85/55/173388555.db2.gz KELXUOVDUZMRKS-UHFFFAOYSA-N 1 0 237.372 1.744 10 0 BDAERO C[NH2+]Cc1ccc(N2CCC[C@@H]2C)nc1 ZINC000051398867 173388732 /nfs/dbraw/zinc/38/87/32/173388732.db2.gz XUMCYDLVONZVQH-JTQLQIEISA-N 1 0 205.305 1.790 10 0 BDAERO C[NH2+]Cc1ccc(N2CCCCCC2)nn1 ZINC000051400075 173388976 /nfs/dbraw/zinc/38/89/76/173388976.db2.gz PNUMLSHSGPVGKJ-UHFFFAOYSA-N 1 0 220.320 1.576 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)c2cc(C)on2)c1 ZINC000036282349 173389601 /nfs/dbraw/zinc/38/96/01/173389601.db2.gz QKVYZKAUIAJGFX-UHFFFAOYSA-N 1 0 245.282 1.955 10 0 BDAERO C[NH2+]Cc1cccc(O[C@H]2CCC[C@H]2O)c1 ZINC000037703867 173389632 /nfs/dbraw/zinc/38/96/32/173389632.db2.gz CSWXTKLFLBUVAK-OLZOCXBDSA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1ccnc(-c2ccsc2)n1 ZINC000054791203 173391775 /nfs/dbraw/zinc/39/17/75/173391775.db2.gz WLRAHCHJJXIMLT-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1cnc(N(C)Cc2ccccn2)s1 ZINC000054903873 173392506 /nfs/dbraw/zinc/39/25/06/173392506.db2.gz GMWZQPBUDOEVAM-UHFFFAOYSA-N 1 0 248.355 1.894 10 0 BDAERO C[NH2+]Cc1cnn(Cc2cccc(C)c2)c1 ZINC000054719138 173393505 /nfs/dbraw/zinc/39/35/05/173393505.db2.gz QRODZYXITIHMFH-UHFFFAOYSA-N 1 0 215.300 1.959 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc(SC)cc1 ZINC000054745403 173398301 /nfs/dbraw/zinc/39/83/01/173398301.db2.gz VRDQVIZFMFSGLT-UHFFFAOYSA-N 1 0 235.316 1.104 10 0 BDAERO C[NH2+]Cc1oc(Cn2cccn2)cc1C ZINC000052574985 173399772 /nfs/dbraw/zinc/39/97/72/173399772.db2.gz ITRREJQDQNZKSK-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+][C@@H](C)CCc1ccc2c(c1)OCCO2 ZINC000011631397 173414542 /nfs/dbraw/zinc/41/45/42/173414542.db2.gz KMYZBSCSOUGUCD-JTQLQIEISA-N 1 0 221.300 1.998 10 0 BDAERO C[NH2+][C@@H](C)c1nc2ccc(F)cc2n1C ZINC000054053081 173420809 /nfs/dbraw/zinc/42/08/09/173420809.db2.gz MHKVYLXLWGBRKW-ZETCQYMHSA-N 1 0 207.252 1.993 10 0 BDAERO CN[C@@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000062439486 173423097 /nfs/dbraw/zinc/42/30/97/173423097.db2.gz LWSILQLEGSJXMP-TUAOUCFPSA-N 1 0 242.363 1.115 10 0 BDAERO C[NH2+][C@@H](CO)CCc1ccc(OC)cc1 ZINC000071511664 173423601 /nfs/dbraw/zinc/42/36/01/173423601.db2.gz AISOXWZAQVAYAR-LLVKDONJSA-N 1 0 209.289 1.208 10 0 BDAERO C[NH2+][C@@H]1CCN(c2cccc(F)c2F)C1 ZINC000040230841 173437660 /nfs/dbraw/zinc/43/76/60/173437660.db2.gz HBXUIMDEYYVKFJ-MRVPVSSYSA-N 1 0 212.243 1.763 10 0 BDAERO C[NH2+][C@@H]1CCN(c2ccc(C)c(C)c2)C1=O ZINC000049647802 173437948 /nfs/dbraw/zinc/43/79/48/173437948.db2.gz CUMULRATMZYPKW-GFCCVEGCSA-N 1 0 218.300 1.628 10 0 BDAERO C[NH2+][C@H](C)c1cc2c(cc1F)NC(=O)CC2 ZINC000035506855 173448734 /nfs/dbraw/zinc/44/87/34/173448734.db2.gz FNLGTJYGDCXTTM-SSDOTTSWSA-N 1 0 222.263 1.991 10 0 BDAERO C[NH2+][C@H](c1cnn(C)c1)c1ccccn1 ZINC000043462246 173458503 /nfs/dbraw/zinc/45/85/03/173458503.db2.gz XUBZHYFSWKCTJB-LLVKDONJSA-N 1 0 202.261 1.124 10 0 BDAERO C[NH2+][C@H]1CCN(Cc2cccc(C)n2)C1 ZINC000051576591 173464744 /nfs/dbraw/zinc/46/47/44/173464744.db2.gz VCCHOOQGLJYXRH-NSHDSACASA-N 1 0 205.305 1.184 10 0 BDAERO C[NH2+][C@H]1CCN(c2cccc(Cl)c2C)C1=O ZINC000049648411 173466900 /nfs/dbraw/zinc/46/69/00/173466900.db2.gz JFNGFHNTANXAES-JTQLQIEISA-N 1 0 238.718 1.973 10 0 BDAERO C[NH2+][C@H]1CCN(c2ccc(F)cc2OC)C1 ZINC000049568604 173467247 /nfs/dbraw/zinc/46/72/47/173467247.db2.gz DSNSTVPSRBVOSC-JTQLQIEISA-N 1 0 224.279 1.632 10 0 BDAERO COC(=O)[C@@H](C)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000107050410 173676212 /nfs/dbraw/zinc/67/62/12/173676212.db2.gz BKFQOFXANZLMRR-DCAQKATOSA-N 1 0 213.321 1.964 10 0 BDAERO COC(=O)[C@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000043625203 173789435 /nfs/dbraw/zinc/78/94/35/173789435.db2.gz NLLLWALZRGKKLY-ZJUUUORDSA-N 1 0 237.299 1.955 10 0 BDAERO COC(=O)[C@H](C)n1c(N)[nH+]c2ccccc21 ZINC000042322071 173790388 /nfs/dbraw/zinc/79/03/88/173790388.db2.gz DNHPPRHIHLBZFG-ZETCQYMHSA-N 1 0 219.244 1.353 10 0 BDAERO COC(=O)c1c(F)ccc(C[NH3+])c1F ZINC000075927988 173844749 /nfs/dbraw/zinc/84/47/49/173844749.db2.gz XUCIOBSAXQIGMF-UHFFFAOYSA-N 1 0 201.172 1.210 10 0 BDAERO COC(=O)c1ccccc1N(C)[C@@H](C)C[NH3+] ZINC000071048242 173899957 /nfs/dbraw/zinc/89/99/57/173899957.db2.gz VRYPGTIYJORMMU-VIFPVBQESA-N 1 0 222.288 1.257 10 0 BDAERO COC1CC([NH2+]C[C@@H]2CCO[C@H]2C(C)C)C1 ZINC000309961470 174019061 /nfs/dbraw/zinc/01/90/61/174019061.db2.gz LJAIJMSOHOGVJZ-WTIISPKJSA-N 1 0 227.348 1.815 10 0 BDAERO COC1CC[NH+]([C@H](CN)C(C)(C)C)CC1 ZINC000041051578 174030178 /nfs/dbraw/zinc/03/01/78/174030178.db2.gz CFODEKIFQVQKQA-LLVKDONJSA-N 1 0 214.353 1.471 10 0 BDAERO COC1CC[NH+]([C@@H]([C@H](C)N)C(C)(C)C)CC1 ZINC000043292254 174030363 /nfs/dbraw/zinc/03/03/63/174030363.db2.gz KRTKAFJQKQGWSA-JQWIXIFHSA-N 1 0 228.380 1.859 10 0 BDAERO COC1CC[NH+]([C@@H](CN)C(C)C)CC1 ZINC000037265812 174031259 /nfs/dbraw/zinc/03/12/59/174031259.db2.gz VVIBDFXEVYUQHJ-NSHDSACASA-N 1 0 200.326 1.081 10 0 BDAERO COCC(C)(C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000336693100 174073218 /nfs/dbraw/zinc/07/32/18/174073218.db2.gz NGDDBNULUTVMDQ-JTQLQIEISA-N 1 0 217.353 1.656 10 0 BDAERO COCCCN(C)c1ccc(C(N)=[NH2+])cc1F ZINC000062031856 174220799 /nfs/dbraw/zinc/22/07/99/174220799.db2.gz UTDRBJODVNWMCE-UHFFFAOYSA-N 1 0 239.294 1.582 10 0 BDAERO COCCCN1CCCC[C@H]1C[NH2+]CCOC ZINC000053653652 174228198 /nfs/dbraw/zinc/22/81/98/174228198.db2.gz JLEGNEFIMHSEER-ZDUSSCGKSA-N 1 0 244.379 1.113 10 0 BDAERO COCCCN1C[C@H](C(C)C)[NH2+]C[C@@H]1C ZINC000082926510 174234373 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COCC[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000019881674 174339202 /nfs/dbraw/zinc/33/92/02/174339202.db2.gz KCVYXDANVQVYJO-SNVBAGLBSA-N 1 0 209.245 1.062 10 0 BDAERO COCCNc1cc2ccccc2c(=O)[nH]1 ZINC000037757117 174340664 /nfs/dbraw/zinc/34/06/64/174340664.db2.gz IKKFFXMBKOPZLK-UHFFFAOYSA-N 1 0 218.256 1.586 10 0 BDAERO COCCN[C@]1(C[NH3+])CCCc2ccccc21 ZINC000053255907 174341127 /nfs/dbraw/zinc/34/11/27/174341127.db2.gz GMSQSINTYIAMDD-AWEZNQCLSA-N 1 0 234.343 1.413 10 0 BDAERO COCCOCc1ccc(C(N)=[NH2+])cc1F ZINC000019486043 174364080 /nfs/dbraw/zinc/36/40/80/174364080.db2.gz WWYZFOWMONGLBX-UHFFFAOYSA-N 1 0 226.251 1.273 10 0 BDAERO COCCO[C@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043099381 174367125 /nfs/dbraw/zinc/36/71/25/174367125.db2.gz WIBXACUWZCMOQR-MFKMUULPSA-N 1 0 239.315 1.747 10 0 BDAERO COCCOc1ccc(C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000071564240 174368070 /nfs/dbraw/zinc/36/80/70/174368070.db2.gz VKYPHDCAECXMKP-CYBMUJFWSA-N 1 0 249.310 1.647 10 0 BDAERO COCCOc1ccc(F)cc1[C@@H](C)[NH3+] 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ZINC000104214787 174969014 /nfs/dbraw/zinc/96/90/14/174969014.db2.gz ITBDKJWPAIBTNI-WDEREUQCSA-N 1 0 248.326 1.798 10 0 BDAERO COc1cc(OC)c([C@@H]2C[C@H]2C[NH3+])cc1OC ZINC000054586831 175007794 /nfs/dbraw/zinc/00/77/94/175007794.db2.gz FGOCTTJENQYEJA-DTWKUNHWSA-N 1 0 237.299 1.775 10 0 BDAERO COc1cc(OC)c2c(c1)OCC[C@H]2[NH3+] ZINC000036204559 175009049 /nfs/dbraw/zinc/00/90/49/175009049.db2.gz TVMVIJPIRBELNT-MRVPVSSYSA-N 1 0 209.245 1.486 10 0 BDAERO COc1cc(OC)cc(O[C@@H](C)CC[NH3+])c1 ZINC000041245788 175010059 /nfs/dbraw/zinc/01/00/59/175010059.db2.gz AAXNHYUVLIKUOK-VIFPVBQESA-N 1 0 225.288 1.820 10 0 BDAERO COc1cc([C@@H](O)C[NH3+])c(OC)cc1C ZINC000037627757 175014101 /nfs/dbraw/zinc/01/41/01/175014101.db2.gz WCURBUJUIMRCCJ-VIFPVBQESA-N 1 0 211.261 1.004 10 0 BDAERO COc1cc([C@H]2C[C@H]2[NH3+])cc(OC)c1OC ZINC000002018187 175016715 /nfs/dbraw/zinc/01/67/15/175016715.db2.gz HNYWYOQSLRJIMG-RKDXNWHRSA-N 1 0 223.272 1.527 10 0 BDAERO COc1cc2c(c(OC)c1OC)C[NH2+][C@@H](C)C2 ZINC000011597101 175020227 /nfs/dbraw/zinc/02/02/27/175020227.db2.gz FEYLXIOBBDHVBL-QMMMGPOBSA-N 1 0 237.299 1.747 10 0 BDAERO COc1cc2[nH+]c(N)n(C)c2cc1OC ZINC000075415212 175027985 /nfs/dbraw/zinc/02/79/85/175027985.db2.gz CZAZUXLKAFVQFP-UHFFFAOYSA-N 1 0 207.233 1.173 10 0 BDAERO COc1cc2nc(CCC[NH3+])n(C)c2cc1OC ZINC000011567876 175028358 /nfs/dbraw/zinc/02/83/58/175028358.db2.gz PRVMTFXPPWYISZ-UHFFFAOYSA-N 1 0 249.314 1.482 10 0 BDAERO COc1ccc(-c2n[nH]c(C)c2C[NH3+])cc1 ZINC000066135268 175028960 /nfs/dbraw/zinc/02/89/60/175028960.db2.gz KRSZBGCVEGRWCV-UHFFFAOYSA-N 1 0 217.272 1.852 10 0 BDAERO COc1ccc(-c2cc(C[NH3+])nc(C)n2)cc1 ZINC000020384133 175031373 /nfs/dbraw/zinc/03/13/73/175031373.db2.gz RPEUTSRUCCFXGO-UHFFFAOYSA-N 1 0 229.283 1.919 10 0 BDAERO COc1ccc(-c2ncc(C[NH3+])cn2)cc1 ZINC000054855274 175040443 /nfs/dbraw/zinc/04/04/43/175040443.db2.gz XTKKODVWWJVSLQ-UHFFFAOYSA-N 1 0 215.256 1.611 10 0 BDAERO COc1ccc(C(=O)CN2CC[C@H](C[NH3+])C2)cc1 ZINC000050250218 175053468 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/nfs/dbraw/zinc/08/29/26/175082926.db2.gz MNPPPMBQTMKTEC-CQSZACIVSA-N 1 0 235.327 1.963 10 0 BDAERO COc1ccc(C)cc1[C@](C)([NH3+])CCO ZINC000082533264 175082933 /nfs/dbraw/zinc/08/29/33/175082933.db2.gz CXYGZJHIAJYNIO-GFCCVEGCSA-N 1 0 209.289 1.560 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000225812906 487629643 /nfs/dbraw/zinc/62/96/43/487629643.db2.gz CXLQKNYXTXYBDI-MXWKQRLJSA-N 1 0 212.337 1.665 10 0 BDAERO COc1ccc(C2=[NH+]CCN2)cc1OC ZINC000034530543 175085255 /nfs/dbraw/zinc/08/52/55/175085255.db2.gz NXHHUAOYFMCRFK-UHFFFAOYSA-N 1 0 206.245 1.054 10 0 in-vivo BDAERO COc1ccc(CC[NH3+])cc1OC(C)C ZINC000031892874 175090680 /nfs/dbraw/zinc/09/06/80/175090680.db2.gz LHTUBVWQDMVGHL-UHFFFAOYSA-N 1 0 209.289 1.984 10 0 BDAERO COc1ccc(CC[NH2+][C@@H](C)CO)cc1OC ZINC000059196031 175091341 /nfs/dbraw/zinc/09/13/41/175091341.db2.gz VIDWIHBJUDYRDO-JTQLQIEISA-N 1 0 239.315 1.217 10 0 BDAERO COc1ccc(CC[NH2+]CCCO)cc1 ZINC000041582133 175091513 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WSNGIKCGZWULPD-UHFFFAOYSA-N 1 0 237.328 1.673 10 0 BDAERO COc1ccc(CO)cc1C[NH+]1CCCC1 ZINC000045206449 175113543 /nfs/dbraw/zinc/11/35/43/175113543.db2.gz LLXGPRJYEPNIER-UHFFFAOYSA-N 1 0 221.300 1.783 10 0 BDAERO COc1ccc(COC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000040430375 175113549 /nfs/dbraw/zinc/11/35/49/175113549.db2.gz DMGZLVNYEGGGLS-GFCCVEGCSA-N 1 0 235.283 1.490 10 0 BDAERO COc1ccc(C[C@@H]([NH3+])[C@@H]2CCOC2)cc1 ZINC000048627529 175115909 /nfs/dbraw/zinc/11/59/09/175115909.db2.gz SOEYODRPVBQSDW-DGCLKSJQSA-N 1 0 221.300 1.602 10 0 BDAERO COc1ccc(C[C@@]2(C)OC[C@H](C[NH3+])O2)cc1 ZINC000019729890 175116391 /nfs/dbraw/zinc/11/63/91/175116391.db2.gz HFXKDBIFKGVOEM-STQMWFEESA-N 1 0 237.299 1.328 10 0 BDAERO COc1ccc(Cl)cc1CNCCC[NH3+] ZINC000038051614 175120361 /nfs/dbraw/zinc/12/03/61/175120361.db2.gz LBQDXYUEBJDZSQ-UHFFFAOYSA-N 1 0 228.723 1.787 10 0 BDAERO COc1ccc(Cl)cc1CC[NH2+][C@@H](C)CO ZINC000098126736 175120515 /nfs/dbraw/zinc/12/05/15/175120515.db2.gz JMTQEHGKKQPYKD-VIFPVBQESA-N 1 0 243.734 1.862 10 0 BDAERO COc1ccc(F)cc1[C@@H](O)[C@@H]([NH3+])C(C)C ZINC000071533176 175133479 /nfs/dbraw/zinc/13/34/79/175133479.db2.gz YOANPAJBXWSNJD-NWDGAFQWSA-N 1 0 227.279 1.851 10 0 BDAERO COc1ccc(N2C[C@H]([NH3+])CC2=O)cc1C ZINC000049531922 175140106 /nfs/dbraw/zinc/14/01/06/175140106.db2.gz KCIYSJSBRJEDBO-SECBINFHSA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(NCCN2CC[NH+](C)CC2)cc1 ZINC000041304607 175150990 /nfs/dbraw/zinc/15/09/90/175150990.db2.gz CMSMSLQGSZTUBD-UHFFFAOYSA-N 1 0 249.358 1.355 10 0 BDAERO COc1ccc(N[C@H]2CC[N@H+](C)C2)cc1O ZINC000061988547 175155761 /nfs/dbraw/zinc/15/57/61/175155761.db2.gz PBIQGVVFVDKCRG-JTQLQIEISA-N 1 0 222.288 1.517 10 0 BDAERO COc1ccc(OC)c(C[C@](C)(C[NH3+])CO)c1 ZINC000011978966 175166243 /nfs/dbraw/zinc/16/62/43/175166243.db2.gz PQHCBYLGJNAVHE-CYBMUJFWSA-N 1 0 239.315 1.204 10 0 BDAERO COc1ccc(OC)c([C@@H](C[NH3+])OC)c1 ZINC000038812591 175166704 /nfs/dbraw/zinc/16/67/04/175166704.db2.gz HRQOYIJXQHSHOE-LLVKDONJSA-N 1 0 211.261 1.350 10 0 BDAERO COc1ccc(OC)c(NC2CC[NH2+]CC2)c1 ZINC000038040538 175166956 /nfs/dbraw/zinc/16/69/56/175166956.db2.gz YKQIKLKFPGXUPE-UHFFFAOYSA-N 1 0 236.315 1.868 10 0 BDAERO COc1ccc(OC)c([C@@H]([NH3+])[C@H]2CCCO2)c1 ZINC000019967584 175167755 /nfs/dbraw/zinc/16/77/55/175167755.db2.gz KUWYBDHSXZYAGG-CHWSQXEVSA-N 1 0 237.299 1.883 10 0 BDAERO COc1ccc(OC)c([C@H](O)C[NH+](C)C)c1 ZINC000001998685 175168873 /nfs/dbraw/zinc/16/88/73/175168873.db2.gz WIUPSOMVTZKAQS-LLVKDONJSA-N 1 0 225.288 1.299 10 0 BDAERO COc1ccc(OC)c([C@H]2C[NH2+][C@@H](C)CO2)c1 ZINC000033466008 175169253 /nfs/dbraw/zinc/16/92/53/175169253.db2.gz UPYHMHWXHIDIRU-TVQRCGJNSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc(OC)c2c1CCC[C@H]([NH3+])C2 ZINC000029220737 175170289 /nfs/dbraw/zinc/17/02/89/175170289.db2.gz FZDVPFDXWGHMGC-VIFPVBQESA-N 1 0 221.300 1.910 10 0 BDAERO COc1ccc(OC)c2c1CC[C@H]([NH3+])C2 ZINC000029213615 175170522 /nfs/dbraw/zinc/17/05/22/175170522.db2.gz ZBZBZZQOTZTHIC-QMMMGPOBSA-N 1 0 207.273 1.520 10 0 BDAERO COc1ccc([C@@H]([NH3+])CN2CCCC2)cc1F ZINC000020260099 175179941 /nfs/dbraw/zinc/17/99/41/175179941.db2.gz WJCQYCBKNJPVHC-LBPRGKRZSA-N 1 0 238.306 1.930 10 0 BDAERO COc1ccc([C@@H](O)CCC[NH3+])cc1OC ZINC000019674905 175180740 /nfs/dbraw/zinc/18/07/40/175180740.db2.gz YNNUBMCSQDFKMA-JTQLQIEISA-N 1 0 225.288 1.476 10 0 BDAERO COc1ccc([C@@H]2NC(=O)CC[C@H]2[NH3+])cc1F ZINC000076684430 175185699 /nfs/dbraw/zinc/18/56/99/175185699.db2.gz ZXHLTXCQKZQFBR-SKDRFNHKSA-N 1 0 238.262 1.113 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H]2CCOC2)cc1 ZINC000040941975 175191830 /nfs/dbraw/zinc/19/18/30/175191830.db2.gz JMLSPRQIEUPOJC-PWSUYJOCSA-N 1 0 207.273 1.732 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H](C)O)c(OC)c1 ZINC000041225509 175192365 /nfs/dbraw/zinc/19/23/65/175192365.db2.gz NSMUMAQWGCHTAT-RDDDGLTNSA-N 1 0 211.261 1.084 10 0 BDAERO COc1ccc([C@H](O)CC[NH+](C)C)cc1F ZINC000049820800 175193214 /nfs/dbraw/zinc/19/32/14/175193214.db2.gz KTHPEJZBVPGTGU-LLVKDONJSA-N 1 0 227.279 1.819 10 0 BDAERO COc1ccc([C@H]2C[NH2+][C@@H](C)CO2)c(OC)c1 ZINC000033466012 175196693 /nfs/dbraw/zinc/19/66/93/175196693.db2.gz WILLWMGGWYBKHU-TVQRCGJNSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@H]2NC(=O)CC[C@@H]2[NH3+])cc1C ZINC000076680848 175198170 /nfs/dbraw/zinc/19/81/70/175198170.db2.gz MJSCBDCGFNYALB-GXFFZTMASA-N 1 0 234.299 1.282 10 0 BDAERO COc1ccc([C@]2(C)C[C@H]2[NH3+])c(OC)c1 ZINC000052126407 175200391 /nfs/dbraw/zinc/20/03/91/175200391.db2.gz QXFPBWXQBCMCNL-NEPJUHHUSA-N 1 0 207.273 1.693 10 0 BDAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)C(N)=O ZINC000035792976 175209095 /nfs/dbraw/zinc/20/90/95/175209095.db2.gz FQDFTRYWINZAAZ-NOZJJQNGSA-N 1 0 248.326 1.536 10 0 BDAERO COc1ccc2c(c1)O[C@@]1(CC[NH2+]C1)CC2 ZINC000036142032 175213801 /nfs/dbraw/zinc/21/38/01/175213801.db2.gz QBFMPDNLJNKWPP-CYBMUJFWSA-N 1 0 219.284 1.752 10 0 BDAERO COc1ccc2nc(CC[NH3+])sc2c1 ZINC000031895007 175228727 /nfs/dbraw/zinc/22/87/27/175228727.db2.gz KHQLERRKWMBCAV-UHFFFAOYSA-N 1 0 208.286 1.806 10 0 BDAERO COc1cccc(CC[NH3+])c1OCc1ncon1 ZINC000037721647 175251795 /nfs/dbraw/zinc/25/17/95/175251795.db2.gz BHZIGRILELRUON-UHFFFAOYSA-N 1 0 249.270 1.158 10 0 BDAERO COc1cccc(CC[C@H](C)[NH3+])c1OC ZINC000062153451 175253643 /nfs/dbraw/zinc/25/36/43/175253643.db2.gz XQXYOHHUXKKBRB-VIFPVBQESA-N 1 0 209.289 1.984 10 0 BDAERO COc1cccc(C[NH2+][C@H]2CCO[C@@H]2C)n1 ZINC000121010711 175267840 /nfs/dbraw/zinc/26/78/40/175267840.db2.gz ZGQFNZRSKAMPRY-KOLCDFICSA-N 1 0 222.288 1.357 10 0 BDAERO COc1cccc(C[C@@H](O)[C@@H]2CCC[NH2+]C2)c1 ZINC000041266108 175271550 /nfs/dbraw/zinc/27/15/50/175271550.db2.gz YTLMKGFRGUXKGL-TZMCWYRMSA-N 1 0 235.327 1.598 10 0 BDAERO COc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000063174362 175276055 /nfs/dbraw/zinc/27/60/55/175276055.db2.gz LMBZCFANOBIDGD-NWDGAFQWSA-N 1 0 249.314 1.697 10 0 BDAERO COc1cccc(OC)c1OCCCC(N)=[NH2+] ZINC000019472457 175281636 /nfs/dbraw/zinc/28/16/36/175281636.db2.gz COLNPYGIKJOXQJ-UHFFFAOYSA-N 1 0 238.287 1.799 10 0 BDAERO COc1cccc(OCC[C@](C)(O)C[NH3+])c1 ZINC000019668222 175283041 /nfs/dbraw/zinc/28/30/41/175283041.db2.gz UGVKSSLDZAYPPN-LBPRGKRZSA-N 1 0 225.288 1.174 10 0 BDAERO COc1cccc(OCC[C@@H](C)[NH3+])c1OC ZINC000032015030 175283522 /nfs/dbraw/zinc/28/35/22/175283522.db2.gz MREJCAKLEBGEDL-SECBINFHSA-N 1 0 225.288 1.820 10 0 BDAERO COc1cccc([C@@H](C[NH3+])n2cc(C)cn2)c1 ZINC000043028859 175287471 /nfs/dbraw/zinc/28/74/71/175287471.db2.gz IKVDXAUOOUMCLP-CYBMUJFWSA-N 1 0 231.299 1.748 10 0 BDAERO COc1cccc([C@@]2(C)C[C@@]2(C[NH3+])CO)c1 ZINC000070501072 175291919 /nfs/dbraw/zinc/29/19/19/175291919.db2.gz PAJBSKKLHBYYCX-CHWSQXEVSA-N 1 0 221.300 1.294 10 0 BDAERO COc1cccc([C@H](C[NH3+])n2ccnc2C)c1 ZINC000043028772 175294207 /nfs/dbraw/zinc/29/42/07/175294207.db2.gz GJCWRKPLTQONTM-ZDUSSCGKSA-N 1 0 231.299 1.748 10 0 BDAERO COc1cccc([C@H]([NH3+])Cn2cccn2)c1 ZINC000011849911 175294277 /nfs/dbraw/zinc/29/42/77/175294277.db2.gz GCXQMLSKYMILGY-GFCCVEGCSA-N 1 0 217.272 1.592 10 0 BDAERO COc1cccc([C@H]([NH3+])[C@H](C)S(C)(=O)=O)c1 ZINC000075429471 175294976 /nfs/dbraw/zinc/29/49/76/175294976.db2.gz YFJYDLNIGUCVTJ-GZMMTYOYSA-N 1 0 243.328 1.128 10 0 BDAERO COc1cccc([C@H]2C[NH2+][C@H](C)CO2)c1 ZINC000032011699 175295830 /nfs/dbraw/zinc/29/58/30/175295830.db2.gz UMZZZGCYPUGUQI-BXKDBHETSA-N 1 0 207.273 1.745 10 0 BDAERO COc1cccc([C@](O)(C[NH3+])C(F)(F)F)c1 ZINC000039042077 175296759 /nfs/dbraw/zinc/29/67/59/175296759.db2.gz VXRGJURWSZDMMK-SECBINFHSA-N 1 0 235.205 1.404 10 0 BDAERO COc1cccc2c1[S@](=O)CCC[C@H]2[NH3+] ZINC000041031237 175305549 /nfs/dbraw/zinc/30/55/49/175305549.db2.gz GXKQAVDLCYLXGH-PSLIRLAXSA-N 1 0 225.313 1.596 10 0 BDAERO COc1ccccc1C(=O)N[C@@H]1CCC[C@H]1[NH3+] ZINC000063173900 175318704 /nfs/dbraw/zinc/31/87/04/175318704.db2.gz VSOCAJATJFTRCY-GHMZBOCLSA-N 1 0 234.299 1.305 10 0 BDAERO COc1ccccc1CCc1n[nH]c(CC[NH3+])n1 ZINC000077402163 175324572 /nfs/dbraw/zinc/32/45/72/175324572.db2.gz DIXBXJANADZFDS-UHFFFAOYSA-N 1 0 246.314 1.100 10 0 BDAERO COc1ccccc1C[C@@H](O)[C@H]1CCC[NH2+]1 ZINC000041237413 175332385 /nfs/dbraw/zinc/33/23/85/175332385.db2.gz GRHBIHILGWTKLE-VXGBXAGGSA-N 1 0 221.300 1.351 10 0 BDAERO COc1ccccc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000019409620 175337188 /nfs/dbraw/zinc/33/71/88/175337188.db2.gz ITGFFCMHQXYHPW-LLVKDONJSA-N 1 0 234.299 1.776 10 0 BDAERO COc1ccccc1O[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305825 175342701 /nfs/dbraw/zinc/34/27/01/175342701.db2.gz RLESZIBZQLDCMH-JOYOIKCWSA-N 1 0 223.272 1.190 10 0 BDAERO COc1ccccc1[C@@]1(C)OC[C@@H](C[NH3+])O1 ZINC000049819280 175349600 /nfs/dbraw/zinc/34/96/00/175349600.db2.gz KBBQTCXLMPGZKN-SKDRFNHKSA-N 1 0 223.272 1.242 10 0 BDAERO COc1ccccc1[C@H](C)N(C)C(=O)CC[NH3+] ZINC000037808299 175350949 /nfs/dbraw/zinc/35/09/49/175350949.db2.gz VCYKSMBXNHIHHN-JTQLQIEISA-N 1 0 236.315 1.563 10 0 BDAERO COc1ccccc1[S@](=O)C[C@@H]1CC[NH2+]C1 ZINC000083319638 175356177 /nfs/dbraw/zinc/35/61/77/175356177.db2.gz WZWKTGFIKAAJEF-HWPZZCPQSA-N 1 0 239.340 1.412 10 0 BDAERO COc1ccccc1[S@](=O)C[C@@H]1CCC[NH2+]1 ZINC000083319617 175356365 /nfs/dbraw/zinc/35/63/65/175356365.db2.gz HXEBXKFYQSXKNX-QFYYESIMSA-N 1 0 239.340 1.555 10 0 BDAERO COc1ccnc(OCC[C@H]2CCC[NH2+]C2)n1 ZINC000051918343 175368803 /nfs/dbraw/zinc/36/88/03/175368803.db2.gz YGUALTVEYJITRX-SNVBAGLBSA-N 1 0 237.303 1.254 10 0 BDAERO COc1ncc(C)cc1NC(=O)C1CC[NH2+]CC1 ZINC000237121061 175397754 /nfs/dbraw/zinc/39/77/54/175397754.db2.gz MLZFVEACUHWITD-UHFFFAOYSA-N 1 0 249.314 1.337 10 0 BDAERO COc1ncccc1-c1nnc(CCC[NH3+])o1 ZINC000061446859 175404117 /nfs/dbraw/zinc/40/41/17/175404117.db2.gz ADKHOGOBHUYYNT-UHFFFAOYSA-N 1 0 234.259 1.032 10 0 BDAERO CSCC[C@@H]([NH2+]C1CCCCCC1)C(N)=O ZINC000037970770 175504100 /nfs/dbraw/zinc/50/41/00/175504100.db2.gz BSZTXSRKHIFANT-LLVKDONJSA-N 1 0 244.404 1.906 10 0 BDAERO CSCc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000054493949 175533815 /nfs/dbraw/zinc/53/38/15/175533815.db2.gz VKEQTJIDFGXJJC-SSDOTTSWSA-N 1 0 213.306 1.400 10 0 BDAERO C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1cccc(F)c1 ZINC000044806375 175706088 /nfs/dbraw/zinc/70/60/88/175706088.db2.gz YWCALXSHKZHHJD-DTWKUNHWSA-N 1 0 224.279 1.598 10 0 BDAERO C[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000200480853 175771836 /nfs/dbraw/zinc/77/18/36/175771836.db2.gz VKXDOYHNTVZOHB-GXFFZTMASA-N 1 0 248.326 1.191 10 0 BDAERO C[C@@H](Cc1ccco1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000035252069 175774438 /nfs/dbraw/zinc/77/44/38/175774438.db2.gz FYYYSCIWPJHUGB-GXSJLCMTSA-N 1 0 222.288 1.079 10 0 BDAERO C[C@@H]([NH3+])Cc1ccnc(-c2cccnc2)n1 ZINC000054834053 175807534 /nfs/dbraw/zinc/80/75/34/175807534.db2.gz NLSYBBKLYXQGDL-SECBINFHSA-N 1 0 214.272 1.428 10 0 BDAERO C[C@@H]([NH3+])Cc1cnc(C[C@H]2CCCO2)nc1 ZINC000054857823 175807913 /nfs/dbraw/zinc/80/79/13/175807913.db2.gz NQCAZJRDAXCYPL-MWLCHTKSSA-N 1 0 221.304 1.088 10 0 BDAERO C[C@@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1ccccc1 ZINC000042904452 175809609 /nfs/dbraw/zinc/80/96/09/175809609.db2.gz ZLBWSZYIMCPAGB-PSASIEDQSA-N 1 0 234.328 1.985 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccccn1)n1cccn1 ZINC000043341238 175814000 /nfs/dbraw/zinc/81/40/00/175814000.db2.gz CKQKBCQXITWZLW-MWLCHTKSSA-N 1 0 202.261 1.215 10 0 BDAERO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccon2)cc1 ZINC000044585834 175817625 /nfs/dbraw/zinc/81/76/25/175817625.db2.gz BONUZAFGYNREDJ-MRVPVSSYSA-N 1 0 231.255 1.947 10 0 BDAERO C[C@@H](O)c1ccccc1NC(=O)C(C)(C)[NH3+] ZINC000049547212 176000078 /nfs/dbraw/zinc/00/00/78/176000078.db2.gz HVHXHZIWCLWDQY-MRVPVSSYSA-N 1 0 222.288 1.416 10 0 BDAERO C[C@@H](OCC[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068607 176002532 /nfs/dbraw/zinc/00/25/32/176002532.db2.gz KDXOYHQZBAXXHK-VXGBXAGGSA-N 1 0 235.331 1.944 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)N(C)C ZINC000020419517 176006279 /nfs/dbraw/zinc/00/62/79/176006279.db2.gz AUTNIZAVTWCBHH-NXEZZACHSA-N 1 0 236.315 1.562 10 0 BDAERO C[C@@H]([C@@H]1CCCC[NH2+]1)N1CCCOC1=O ZINC000043373328 176011861 /nfs/dbraw/zinc/01/18/61/176011861.db2.gz TUIMARQJMVPOJG-UWVGGRQHSA-N 1 0 212.293 1.359 10 0 BDAERO C[C@@H]([C@H]([NH3+])c1ccccc1)N1CCOC[C@H]1C ZINC000035775668 176012483 /nfs/dbraw/zinc/01/24/83/176012483.db2.gz JTFCSYGRHBXHKG-DYEKYZERSA-N 1 0 234.343 1.796 10 0 BDAERO C[C@@H](c1ccc[nH]1)N1CCCC[C@@H]1C[NH3+] ZINC000095068296 176016656 /nfs/dbraw/zinc/01/66/56/176016656.db2.gz IQQMOMUKMGXIKN-WDEREUQCSA-N 1 0 207.321 1.889 10 0 BDAERO C[C@@H](c1ccc2c(c1)OCO2)N1CCC[NH2+]CC1 ZINC000022101721 176016980 /nfs/dbraw/zinc/01/69/80/176016980.db2.gz OEBBLUMERXFIQH-NSHDSACASA-N 1 0 248.326 1.772 10 0 BDAERO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286247169 176021805 /nfs/dbraw/zinc/02/18/05/176021805.db2.gz QIYFZHWJNMWGCA-FZMZJTMJSA-N 1 0 248.326 1.060 10 0 BDAERO C[C@@H](c1ccccc1)[C@@H]([NH3+])c1nnn[n-]1 ZINC000041046535 176022863 /nfs/dbraw/zinc/02/28/63/176022863.db2.gz HMRALZWAXGNQKU-IONNQARKSA-N 1 0 203.249 1.003 10 0 BDAERO C[C@@H](c1ccccn1)N1CC[NH2+][C@H](C)CC1 ZINC000049662174 176027504 /nfs/dbraw/zinc/02/75/04/176027504.db2.gz UPBCRYOKAMZKHR-NEPJUHHUSA-N 1 0 219.332 1.826 10 0 BDAERO C[C@@H](c1nccs1)N1CCC[C@H]([NH3+])C1 ZINC000043220353 176038967 /nfs/dbraw/zinc/03/89/67/176038967.db2.gz ZPHHAXPORGYSEL-IUCAKERBSA-N 1 0 211.334 1.627 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@](C[NH3+])(N2CCOCC2)C1 ZINC000019435789 176052203 /nfs/dbraw/zinc/05/22/03/176052203.db2.gz YNXXLWSDNICBRK-OCCSQVGLSA-N 1 0 240.391 1.862 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1C1(CN)CCOCC1 ZINC000036304771 176069813 /nfs/dbraw/zinc/06/98/13/176069813.db2.gz MXWYJLFVKGROCT-LLVKDONJSA-N 1 0 212.337 1.369 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1[C@]1(CN)CCSC1 ZINC000034651160 176074813 /nfs/dbraw/zinc/07/48/13/176074813.db2.gz GUDJDOZNNRSRCN-MNOVXSKESA-N 1 0 214.378 1.695 10 0 BDAERO C[C@@H]1CCCC[C@@]1(C[NH3+])N1CCOCC1 ZINC000019517421 176083508 /nfs/dbraw/zinc/08/35/08/176083508.db2.gz LYKFITVJWCMUFF-NEPJUHHUSA-N 1 0 212.337 1.226 10 0 BDAERO C[C@@H]1CCCC[C@]1([NH3+])C(=O)OC[C@@H]1CCOC1 ZINC000049688384 176091047 /nfs/dbraw/zinc/09/10/47/176091047.db2.gz UGDIFWGGNQTXGA-NQBHXWOUSA-N 1 0 241.331 1.474 10 0 BDAERO C[C@@H]1CCCN1C(=O)C1(C[NH3+])CCCCC1 ZINC000044763110 176104589 /nfs/dbraw/zinc/10/45/89/176104589.db2.gz JUBFUMKVDREJHN-LLVKDONJSA-N 1 0 224.348 1.907 10 0 BDAERO C[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(N)c1 ZINC000037909977 176110261 /nfs/dbraw/zinc/11/02/61/176110261.db2.gz SLSHJJGCTNGOTQ-SECBINFHSA-N 1 0 206.289 1.959 10 0 BDAERO C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccncc1 ZINC000043353877 176110704 /nfs/dbraw/zinc/11/07/04/176110704.db2.gz NYRAXXZGKGPGBG-PWSUYJOCSA-N 1 0 205.305 1.566 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)N2CCCCC2)[NH2+]1 ZINC000019508523 176135890 /nfs/dbraw/zinc/13/58/90/176135890.db2.gz QDGSIXXSUQHRLE-GHMZBOCLSA-N 1 0 210.321 1.530 10 0 BDAERO C[C@@H]1CCC[C@]([NH3+])(C(=O)OCC2CC2)C1 ZINC000041036804 176152197 /nfs/dbraw/zinc/15/21/97/176152197.db2.gz OJSUOOOYZMPOPK-BXKDBHETSA-N 1 0 211.305 1.847 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000157381337 176159521 /nfs/dbraw/zinc/15/95/21/176159521.db2.gz IHKKAOJTJQTPOF-MXWKQRLJSA-N 1 0 236.315 1.926 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084310114 176160637 /nfs/dbraw/zinc/16/06/37/176160637.db2.gz JMWFDMDPAFIIGM-GMTAPVOTSA-N 1 0 210.321 1.230 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@]2(CN)CCSC2)C1 ZINC000040717266 176180666 /nfs/dbraw/zinc/18/06/66/176180666.db2.gz QDWJCWZVZIOOBA-ZJUUUORDSA-N 1 0 200.351 1.163 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CCc3ccccc32)C[NH2+]1 ZINC000019518113 176219426 /nfs/dbraw/zinc/21/94/26/176219426.db2.gz SWUHGAJSIVZESK-YPMHNXCESA-N 1 0 244.338 1.964 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NCc2ccccc2)C[NH2+]1 ZINC000019504761 176221317 /nfs/dbraw/zinc/22/13/17/176221317.db2.gz ZVDVUYXZDPIGFP-YPMHNXCESA-N 1 0 232.327 1.691 10 0 BDAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000309750807 176274716 /nfs/dbraw/zinc/27/47/16/176274716.db2.gz GQTDRISCAZHIJC-XQHKEYJVSA-N 1 0 226.364 1.077 10 0 BDAERO C[C@@H]1CN(CC(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000051209630 176284080 /nfs/dbraw/zinc/28/40/80/176284080.db2.gz RVMJFDFLPKYDOR-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@@H]1CN(Cc2ccc(O)cc2)[C@H](C)C[NH2+]1 ZINC000083125526 176304516 /nfs/dbraw/zinc/30/45/16/176304516.db2.gz GNXGEDWYGLTZQO-GHMZBOCLSA-N 1 0 220.316 1.574 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccsc2)CCO1 ZINC000022164839 176316004 /nfs/dbraw/zinc/31/60/04/176316004.db2.gz HFARBRMWQBIHLZ-KOLCDFICSA-N 1 0 226.345 1.469 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2F)CCO1 ZINC000019270819 176316077 /nfs/dbraw/zinc/31/60/77/176316077.db2.gz GCPRQJQTQWVKMF-MFKMUULPSA-N 1 0 238.306 1.546 10 0 BDAERO C[C@@H]1CN(c2ccc3c(n2)CCCC3=O)C[C@@H]1[NH3+] ZINC000333498336 176318934 /nfs/dbraw/zinc/31/89/34/176318934.db2.gz FDGDHJWANBTUHD-KOLCDFICSA-N 1 0 245.326 1.384 10 0 BDAERO C[C@@H]1CN(c2ccc(F)c(F)c2F)CC[NH2+]1 ZINC000061837899 176319017 /nfs/dbraw/zinc/31/90/17/176319017.db2.gz LRCOFCJXWIOEJJ-SSDOTTSWSA-N 1 0 230.233 1.902 10 0 BDAERO C[C@@H]1CN(c2ccc(F)cn2)C[C@@]1(C)C[NH3+] ZINC000309476444 176319364 /nfs/dbraw/zinc/31/93/64/176319364.db2.gz YGLAXERCOXGURU-BXKDBHETSA-N 1 0 223.295 1.642 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1 ZINC000246749123 176322762 /nfs/dbraw/zinc/32/27/62/176322762.db2.gz ACGNAWJAGXLOBZ-YPMHNXCESA-N 1 0 245.326 1.390 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccco1 ZINC000083550463 176323215 /nfs/dbraw/zinc/32/32/15/176323215.db2.gz KSHDKZRFFOPHKE-GHMZBOCLSA-N 1 0 234.299 1.588 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccn(C)c1 ZINC000268689754 176323435 /nfs/dbraw/zinc/32/34/35/176323435.db2.gz OMYZGPACHILPIU-DGCLKSJQSA-N 1 0 247.342 1.334 10 0 BDAERO C[C@@H]1C[NH2+]CCN(c2cccc(F)c2)C1 ZINC000049660730 176326155 /nfs/dbraw/zinc/32/61/55/176326155.db2.gz OJPDBEGPRFQPNE-SNVBAGLBSA-N 1 0 208.280 1.871 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N(C)CC1CCCCC1 ZINC000104407981 176329254 /nfs/dbraw/zinc/32/92/54/176329254.db2.gz WVNFVXZNUQJBOJ-YPMHNXCESA-N 1 0 238.375 1.881 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](c2ccc3c(c2)OCCO3)O1 ZINC000033465354 176330232 /nfs/dbraw/zinc/33/02/32/176330232.db2.gz GXPDNSXEQCFCSH-NOZJJQNGSA-N 1 0 235.283 1.507 10 0 BDAERO C[C@@H]1COCCN1C1(C[NH3+])CCCCCC1 ZINC000035774970 176335939 /nfs/dbraw/zinc/33/59/39/176335939.db2.gz PYZNAKZNZCUTAE-GFCCVEGCSA-N 1 0 226.364 1.759 10 0 BDAERO C[C@@H]1COCCN1[C@@H](C[NH3+])C(C)(C)C ZINC000041051590 176337391 /nfs/dbraw/zinc/33/73/91/176337391.db2.gz RLIRWFOXZKKYFE-ZJUUUORDSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](C1CC1)N(C)C ZINC000309762593 176341430 /nfs/dbraw/zinc/34/14/30/176341430.db2.gz JAKRGUOAUNOXFS-KGYLQXTDSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1COc2ccccc2[C@@H]1N1CC[NH2+]CC1 ZINC000071489741 176348320 /nfs/dbraw/zinc/34/83/20/176348320.db2.gz SJWNRVSFQJJFAI-BXUZGUMPSA-N 1 0 232.327 1.661 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2ccc(F)cc2[C@@H]1[NH3+] ZINC000035755664 176349203 /nfs/dbraw/zinc/34/92/03/176349203.db2.gz XJRGUSPBQJCUAT-LHLIQPBNSA-N 1 0 229.276 1.249 10 0 BDAERO C[C@@H]1C[C@@H](C)C[NH+](C[C@]2(CO)CCCOC2)C1 ZINC000104323268 176361247 /nfs/dbraw/zinc/36/12/47/176361247.db2.gz XFVPYDUUDMNERW-MCIONIFRSA-N 1 0 241.375 1.753 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cncs2)C1 ZINC000307227061 176381270 /nfs/dbraw/zinc/38/12/70/176381270.db2.gz CNTFJWXUWVYRDA-RKDXNWHRSA-N 1 0 212.318 1.346 10 0 BDAERO C[C@@H]1Cc2ccccc2N[C@@H]1C1=[NH+]CCN1 ZINC000029339493 176452882 /nfs/dbraw/zinc/45/28/82/176452882.db2.gz FPCYPOVQLFREHV-SKDRFNHKSA-N 1 0 215.300 1.661 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C1CCC1 ZINC000335594308 176457317 /nfs/dbraw/zinc/45/73/17/176457317.db2.gz ZGJNWACIXYJLLH-ONGXEEELSA-N 1 0 210.321 1.385 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CSC(C)(C)C ZINC000129452684 176459526 /nfs/dbraw/zinc/45/95/26/176459526.db2.gz RQPXEYMFJYHDQZ-VHSXEESVSA-N 1 0 244.404 1.775 10 0 BDAERO C[C@H](C1CC1)[N@H+](C)CCn1cc(N)ccc1=O ZINC000036783040 176592938 /nfs/dbraw/zinc/59/29/38/176592938.db2.gz LFYWIRRHBIJRIL-SNVBAGLBSA-N 1 0 235.331 1.161 10 0 BDAERO C[C@H](C[NH3+])NC(=O)c1cccc2cccnc21 ZINC000104220116 176661339 /nfs/dbraw/zinc/66/13/39/176661339.db2.gz CKYRUUGMSHMDEK-SECBINFHSA-N 1 0 229.283 1.312 10 0 BDAERO C[C@H](C[NH3+])Sc1nnc2n1CCCCC2 ZINC000043514678 176662832 /nfs/dbraw/zinc/66/28/32/176662832.db2.gz COGJODUZVKRGEP-MRVPVSSYSA-N 1 0 226.349 1.444 10 0 BDAERO C[C@H](C[NH3+])c1noc(-c2cccs2)n1 ZINC000054158720 176663671 /nfs/dbraw/zinc/66/36/71/176663671.db2.gz XWXUKLOJTLWJIP-ZCFIWIBFSA-N 1 0 209.274 1.860 10 0 BDAERO C[C@H](CNc1c(N)ccc(F)c1F)[NH+](C)C ZINC000053167433 176686260 /nfs/dbraw/zinc/68/62/60/176686260.db2.gz BXHWZNBPEFOFEZ-SSDOTTSWSA-N 1 0 229.274 1.909 10 0 BDAERO C[C@H](Cc1ccccc1)N1CC[NH2+]CC1 ZINC000019729161 176724162 /nfs/dbraw/zinc/72/41/62/176724162.db2.gz VHWUWURPJISUNJ-GFCCVEGCSA-N 1 0 204.317 1.523 10 0 BDAERO C[C@H]([NH3+])CSc1nc2cccnc2[nH]1 ZINC000075954823 176760616 /nfs/dbraw/zinc/76/06/16/176760616.db2.gz LGZFVSOWZXIWFZ-LURJTMIESA-N 1 0 208.290 1.397 10 0 BDAERO C[C@H]([NH3+])Cc1noc(-c2ccccn2)n1 ZINC000054161417 176763047 /nfs/dbraw/zinc/76/30/47/176763047.db2.gz KDCNONBOIYGGOK-ZETCQYMHSA-N 1 0 204.233 1.021 10 0 BDAERO C[C@H]([NH3+])c1ccc(O[C@@H]2CCCCNC2=O)cc1 ZINC000019813275 176776942 /nfs/dbraw/zinc/77/69/42/176776942.db2.gz XDCJDALPBIVMOB-GXFFZTMASA-N 1 0 248.326 1.754 10 0 BDAERO C[C@H]([NH2+]C1CCCC1)C(=O)N1CCCCC1 ZINC000026515066 176829433 /nfs/dbraw/zinc/82/94/33/176829433.db2.gz LPOQKJQDABDDEU-NSHDSACASA-N 1 0 224.348 1.920 10 0 BDAERO C[C@H]([NH2+]CC1CC1)C(=O)NC1CCCCC1 ZINC000034939887 176837309 /nfs/dbraw/zinc/83/73/09/176837309.db2.gz UBAPVOGVYOCWLB-JTQLQIEISA-N 1 0 224.348 1.823 10 0 BDAERO C[C@H]([NH2+]C[C@H](O)c1ccc2c(c1)OCO2)C1CC1 ZINC000037889627 176867167 /nfs/dbraw/zinc/86/71/67/176867167.db2.gz BLRVJTNARUCXLL-CABZTGNLSA-N 1 0 249.310 1.837 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cscn1 ZINC000282451104 176893093 /nfs/dbraw/zinc/89/30/93/176893093.db2.gz VAXFXPCZSSQSBA-XHNCKOQMSA-N 1 0 239.344 1.461 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)[C@@H]1CCCCO1 ZINC000308978595 176901708 /nfs/dbraw/zinc/90/17/08/176901708.db2.gz HIPQGSDGAWQPRK-YFKTTZPYSA-N 1 0 213.321 1.711 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000336697867 176913535 /nfs/dbraw/zinc/91/35/35/176913535.db2.gz OKXANMIKUHERRQ-WRWGMCAJSA-N 1 0 213.321 1.711 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000003897128 177006367 /nfs/dbraw/zinc/00/63/67/177006367.db2.gz PULVSAYBLQBLAR-LTAPRMEXSA-N 1 0 209.333 1.911 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000041252133 177006606 /nfs/dbraw/zinc/00/66/06/177006606.db2.gz RTRKBXOMILNDHA-IMTBSYHQSA-N 1 0 230.105 1.830 10 0 BDAERO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)C(C)(C)C ZINC000336663378 177014950 /nfs/dbraw/zinc/01/49/50/177014950.db2.gz BRTGKDHWVDJRPO-TUAOUCFPSA-N 1 0 229.364 1.629 10 0 BDAERO C[C@H](OC(=O)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000062132536 177020252 /nfs/dbraw/zinc/02/02/52/177020252.db2.gz ICRINWYVXVTFLS-JQWIXIFHSA-N 1 0 219.284 1.900 10 0 BDAERO C[C@H](OC1CC[NH2+]CC1)c1ccccn1 ZINC000095068450 177020481 /nfs/dbraw/zinc/02/04/81/177020481.db2.gz OISMJZGRCNBZAV-JTQLQIEISA-N 1 0 206.289 1.911 10 0 BDAERO C[C@H](c1ccc[nH]1)N(C)[C@@H]1CCC[NH2+]C1 ZINC000095068167 177035700 /nfs/dbraw/zinc/03/57/00/177035700.db2.gz VAHGJVVJTPYPEC-GHMZBOCLSA-N 1 0 207.321 1.760 10 0 BDAERO C[C@H](c1cccc(N)c1)[NH+]1CCN(C)CC1 ZINC000019730864 177036134 /nfs/dbraw/zinc/03/61/34/177036134.db2.gz CMHMMEFOGWIGIK-LLVKDONJSA-N 1 0 219.332 1.577 10 0 BDAERO C[C@H](c1ccccc1)S(=O)(=O)CCC[NH3+] ZINC000058250720 177039761 /nfs/dbraw/zinc/03/97/61/177039761.db2.gz FCCUSZZBQCVCKE-SNVBAGLBSA-N 1 0 227.329 1.511 10 0 BDAERO C[C@H](c1ccccc1)N1C[C@H]([NH3+])CC1=O ZINC000020274638 177040377 /nfs/dbraw/zinc/04/03/77/177040377.db2.gz BRBZUFYNCDRBQV-MWLCHTKSSA-N 1 0 204.273 1.307 10 0 BDAERO C[C@H](c1nncn1C)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000050422283 177054996 /nfs/dbraw/zinc/05/49/96/177054996.db2.gz AHRNNBBDVWJHAX-KOLCDFICSA-N 1 0 245.330 1.562 10 0 BDAERO C[C@@H](c1ccc(C[NH3+])cc1)N1C(=O)C[C@H](C)C1=O ZINC000103102886 177062250 /nfs/dbraw/zinc/06/22/50/177062250.db2.gz ADWHOZSYOGVYJT-UWVGGRQHSA-N 1 0 246.310 1.601 10 0 BDAERO C[C@H]1CCC(=O)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000053925901 177068793 /nfs/dbraw/zinc/06/87/93/177068793.db2.gz GTQNMXJGXRRGNH-STQMWFEESA-N 1 0 238.375 1.629 10 0 BDAERO C[C@H]1CCCCN1C(=O)CSCC[NH3+] ZINC000037035936 177072217 /nfs/dbraw/zinc/07/22/17/177072217.db2.gz OVVIDRVUWSKYFZ-VIFPVBQESA-N 1 0 216.350 1.079 10 0 BDAERO C[C@H]1CCCC[N@@H+]1C1(CN)CCOCC1 ZINC000036304774 177073707 /nfs/dbraw/zinc/07/37/07/177073707.db2.gz MXWYJLFVKGROCT-NSHDSACASA-N 1 0 212.337 1.369 10 0 BDAERO C[C@H]1CCCC[N@@H+]1CCCC(N)=S ZINC000019519493 177074962 /nfs/dbraw/zinc/07/49/62/177074962.db2.gz SZVLITODCONTSS-VIFPVBQESA-N 1 0 200.351 1.927 10 0 BDAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1cccnc1 ZINC000022220104 177078984 /nfs/dbraw/zinc/07/89/84/177078984.db2.gz UUSFDSHCVAQPRZ-AAEUAGOBSA-N 1 0 219.332 1.956 10 0 BDAERO C[C@H]1CCCC[C@@]1([NH2+]C[C@@H]1CCCO1)C(N)=O ZINC000037942933 177085368 /nfs/dbraw/zinc/08/53/68/177085368.db2.gz NGMIDCRKFVQZQO-GVXVVHGQSA-N 1 0 240.347 1.189 10 0 BDAERO C[C@H]1CCCC[C@H]1[NH2+]CCn1cccnc1=O ZINC000053500145 177088559 /nfs/dbraw/zinc/08/85/59/177088559.db2.gz KZVSCBASBHHLCP-NWDGAFQWSA-N 1 0 235.331 1.412 10 0 BDAERO C[C@H]1CCC[N@@H+](C2(CN)CCSCC2)C1 ZINC000042334910 177096551 /nfs/dbraw/zinc/09/65/51/177096551.db2.gz RKCHOZVZISAKIA-NSHDSACASA-N 1 0 228.405 1.943 10 0 BDAERO C[C@H]1CCC[N@H+](CCC2CS(=O)(=O)C2)CC1 ZINC000336250727 177098719 /nfs/dbraw/zinc/09/87/19/177098719.db2.gz NVKFXIGPLXLAKX-NSHDSACASA-N 1 0 245.388 1.543 10 0 BDAERO C[C@H]1CCCN(c2ccc(C(N)=[NH2+])cn2)CC1 ZINC000104353475 177105336 /nfs/dbraw/zinc/10/53/36/177105336.db2.gz NNHXSUMVVMMPJH-JTQLQIEISA-N 1 0 232.331 1.992 10 0 BDAERO C[C@@H]1CCC[C@H](C)N1C(=O)C(C)(C)C[NH3+] ZINC000044751184 177114810 /nfs/dbraw/zinc/11/48/10/177114810.db2.gz GOGSSVPMRBESTA-AOOOYVTPSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@H]1CCC[C@@H](CNC(=O)C(C)(C)C)[NH2+]1 ZINC000051573087 177119334 /nfs/dbraw/zinc/11/93/34/177119334.db2.gz KFTDCTKSGQLOSN-UWVGGRQHSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@H]1CCC[C@@]([NH3+])(C(=O)OC[C@@H]2CCOC2)C1 ZINC000049688383 177127743 /nfs/dbraw/zinc/12/77/43/177127743.db2.gz HUALMHHHIRIPFA-LOWVWBTDSA-N 1 0 241.331 1.474 10 0 BDAERO C[C@H]1CCC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000019899790 177136841 /nfs/dbraw/zinc/13/68/41/177136841.db2.gz BGVIAZJRSOFSEF-GARJFASQSA-N 1 0 231.361 1.342 10 0 BDAERO C[C@H]1CCN([C@@H](C[NH3+])c2ccncc2)C1 ZINC000043353932 177170492 /nfs/dbraw/zinc/17/04/92/177170492.db2.gz CRFHSTVMUAYGTJ-JQWIXIFHSA-N 1 0 205.305 1.423 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000034651170 177181469 /nfs/dbraw/zinc/18/14/69/177181469.db2.gz XOPADWNKDLZWMV-GRYCIOLGSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@H]1CC[C@@H](C[NH3+])CN1Cc1ncccn1 ZINC000054460298 177189951 /nfs/dbraw/zinc/18/99/51/177189951.db2.gz AMZXIBDOSNOIKW-QWRGUYRKSA-N 1 0 220.320 1.036 10 0 BDAERO C[C@H]1CC[C@H](C(=O)NCC(F)(F)F)C[NH2+]1 ZINC000019437330 177197251 /nfs/dbraw/zinc/19/72/51/177197251.db2.gz RUUQGGKRTVGJRL-BQBZGAKWSA-N 1 0 224.226 1.053 10 0 BDAERO C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCn1ccnc1 ZINC000042427520 177201384 /nfs/dbraw/zinc/20/13/84/177201384.db2.gz NSKIDNQVPWKJAO-QWHCGFSZSA-N 1 0 236.363 1.332 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1[NH3+] ZINC000235691161 177227123 /nfs/dbraw/zinc/22/71/23/177227123.db2.gz CMQWDQMKGUDXPP-JOYOIKCWSA-N 1 0 246.310 1.041 10 0 BDAERO C[C@H]1CN(C(=O)c2ccccc2O)C[C@@H]1[NH+](C)C ZINC000089710427 177228130 /nfs/dbraw/zinc/22/81/30/177228130.db2.gz LGATWLARFSXIJS-JQWIXIFHSA-N 1 0 248.326 1.414 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCSCC2)C[C@H](C)O1 ZINC000042334902 177241160 /nfs/dbraw/zinc/24/11/60/177241160.db2.gz VMAMFUGCWMBGTK-PHIMTYICSA-N 1 0 244.404 1.320 10 0 BDAERO C[C@@H]1CN(CC2(C[NH3+])CCCC2)C[C@H](C)O1 ZINC000051209686 177244752 /nfs/dbraw/zinc/24/47/52/177244752.db2.gz 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/nfs/dbraw/zinc/27/50/62/177275062.db2.gz BYRYREXZIYTFKH-WDEREUQCSA-N 1 0 212.337 1.238 10 0 BDAERO C[C@H]([NH3+])[C@H](N1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000133202915 177275523 /nfs/dbraw/zinc/27/55/23/177275523.db2.gz TZMCARCFSUVHAG-KZVJFYERSA-N 1 0 240.269 1.374 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccoc1 ZINC000124484388 177279859 /nfs/dbraw/zinc/27/98/59/177279859.db2.gz YLAIIJGEDIMJNO-WCQYABFASA-N 1 0 248.326 1.517 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccoc1 ZINC000247478372 177280092 /nfs/dbraw/zinc/28/00/92/177280092.db2.gz SLAPPDZKZHCVOY-JQWIXIFHSA-N 1 0 234.299 1.588 10 0 BDAERO C[C@H]1C[NH+]=C(NCCc2ccco2)S1 ZINC000042592160 177281397 /nfs/dbraw/zinc/28/13/97/177281397.db2.gz FNOMXAUOFJOUEL-QMMMGPOBSA-N 1 0 210.302 1.903 10 0 BDAERO C[C@H]1C[NH+]=C(NCCc2ccccn2)S1 ZINC000035287039 177281479 /nfs/dbraw/zinc/28/14/79/177281479.db2.gz LDLOEPRLPGRDDD-VIFPVBQESA-N 1 0 221.329 1.705 10 0 BDAERO C[C@H]1C[NH2+]CCCN(CCC(F)(F)F)C1 ZINC000063101196 177281682 /nfs/dbraw/zinc/28/16/82/177281682.db2.gz GTZBSCKLILWNNQ-VIFPVBQESA-N 1 0 224.270 1.870 10 0 BDAERO C[C@H]1C[NH2+]CCN1CCc1ccccc1F ZINC000041240771 177284268 /nfs/dbraw/zinc/28/42/68/177284268.db2.gz NJKOMFALPVXRDT-NSHDSACASA-N 1 0 222.307 1.662 10 0 BDAERO C[C@H]1COCCN1CC1(C[NH3+])CCCCC1 ZINC000051216748 177291358 /nfs/dbraw/zinc/29/13/58/177291358.db2.gz IBFPOXHRMGDRPL-LBPRGKRZSA-N 1 0 226.364 1.616 10 0 BDAERO C[C@H]1COCCN1[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000035775387 177293226 /nfs/dbraw/zinc/29/32/26/177293226.db2.gz FVAIICCXXNRBAR-GLQYFDAESA-N 1 0 246.354 1.722 10 0 BDAERO C[C@H]1COCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000307000220 177294431 /nfs/dbraw/zinc/29/44/31/177294431.db2.gz HLSUKMKXEOYSCO-CBAPKCEASA-N 1 0 205.248 1.799 10 0 BDAERO C[C@H]1COC[C@H](C)N1CC[NH+]1CCCCC1 ZINC000120903925 177299773 /nfs/dbraw/zinc/29/97/73/177299773.db2.gz NXFWTBJTVIZPDL-STQMWFEESA-N 1 0 226.364 1.582 10 0 BDAERO C[C@H]1CSC(NC[C@@H]2CCOC2)=[NH+]1 ZINC000061147022 177303237 /nfs/dbraw/zinc/30/32/37/177303237.db2.gz BSJBWVPYEFWKHO-YUMQZZPRSA-N 1 0 200.307 1.104 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN(Cc2ccccc2)C1 ZINC000068593218 177327936 /nfs/dbraw/zinc/32/79/36/177327936.db2.gz ZIGFEJOVAYQSSS-WCQYABFASA-N 1 0 204.317 1.856 10 0 BDAERO C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226341995 177340253 /nfs/dbraw/zinc/34/02/53/177340253.db2.gz XYOHEPPCIUBUHN-RCWTZXSCSA-N 1 0 210.321 1.228 10 0 BDAERO C[C@H]1C[C@@H]1CN(C)c1nc2ccccn2c1C[NH3+] ZINC000104422140 177342525 /nfs/dbraw/zinc/34/25/25/177342525.db2.gz XVWJTWVTXLNWCS-WDEREUQCSA-N 1 0 244.342 1.885 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)C1(C[NH3+])CCCCC1 ZINC000052277159 177346511 /nfs/dbraw/zinc/34/65/11/177346511.db2.gz BODAHRZHOWRPMO-UWVGGRQHSA-N 1 0 210.321 1.420 10 0 BDAERO C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N(C)C)o1 ZINC000019258517 177351492 /nfs/dbraw/zinc/35/14/92/177351492.db2.gz JDXKIMHEYWBRJN-LPEHRKFASA-N 1 0 208.305 1.964 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]C2CCOCC2)C[C@H](C)O1 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C[C@H]1[NH2+]CCC[C@@H]1NCc1cscn1 ZINC000307272169 177395093 /nfs/dbraw/zinc/39/50/93/177395093.db2.gz NWBLEYDTEHEFII-SCZZXKLOSA-N 1 0 211.334 1.373 10 0 BDAERO Cc1n[nH]cc1CCC[NH2+]Cc1cnn(C)c1C ZINC000093650216 177548304 /nfs/dbraw/zinc/54/83/04/177548304.db2.gz XHZUECCTLYIAJG-UHFFFAOYSA-N 1 0 247.346 1.482 10 0 BDAERO Cc1c(Br)cccc1[C@H]([NH3+])CO ZINC000072198658 177556088 /nfs/dbraw/zinc/55/60/88/177556088.db2.gz NNPQDKMHHVJPQI-SECBINFHSA-N 1 0 230.105 1.750 10 0 BDAERO Cc1c(C[NH2+]CCC2(O)CCC2)cnn1C ZINC000283805807 177591275 /nfs/dbraw/zinc/59/12/75/177591275.db2.gz BBFQWAFNDXERLR-UHFFFAOYSA-N 1 0 223.320 1.123 10 0 BDAERO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000393453384 487643199 /nfs/dbraw/zinc/64/31/99/487643199.db2.gz FWMHBTRMXHDLCQ-IJLUTSLNSA-N 1 0 229.364 1.677 10 0 BDAERO CO[C@H](C[N@@H+]1CCC[C@@H](O)[C@H]1C)C1CC1 ZINC000400160932 226333002 /nfs/dbraw/zinc/33/30/02/226333002.db2.gz GWDGOQLYPUGXOL-YUSALJHKSA-N 1 0 213.321 1.257 10 0 BDAERO 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[NH3+]Cc1cnc(Cl)cc1Br ZINC000575432190 487678262 /nfs/dbraw/zinc/67/82/62/487678262.db2.gz NPSOOBHMMLDIKB-UHFFFAOYSA-N 1 0 221.485 1.956 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ncc[nH]1 ZINC000668866277 487679667 /nfs/dbraw/zinc/67/96/67/487679667.db2.gz OHCNBUIMGQEPSK-GHMZBOCLSA-N 1 0 248.330 1.109 10 0 BDAERO CCN(CC[NH3+])c1cccc(C(F)(F)F)n1 ZINC000082592019 487686296 /nfs/dbraw/zinc/68/62/96/487686296.db2.gz IJTUNGUJUXGHPZ-UHFFFAOYSA-N 1 0 233.237 1.885 10 0 BDAERO CC(C)[C@H](C(=O)N(C)C[C@H]1CCCO1)[C@@H](C)[NH3+] ZINC000399539396 262838477 /nfs/dbraw/zinc/83/84/77/262838477.db2.gz XZKUJCKCOCUGQT-UTUOFQBUSA-N 1 0 242.363 1.243 10 0 BDAERO Cc1cnccc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000228693614 487712293 /nfs/dbraw/zinc/71/22/93/487712293.db2.gz HMPRRGQQAKPMJE-AAEUAGOBSA-N 1 0 247.342 1.381 10 0 BDAERO CC[C@@H]([NH2+][C@H]1CCCNC(=O)C1)C(C)C ZINC000082667477 487714456 /nfs/dbraw/zinc/71/44/56/487714456.db2.gz GONDZRFPPXGJLK-WDEREUQCSA-N 1 0 212.337 1.679 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(C1CC1)C1CC1 ZINC000088457109 487728634 /nfs/dbraw/zinc/72/86/34/487728634.db2.gz UJDRJRKLOFBZSY-NOZJJQNGSA-N 1 0 238.375 1.912 10 0 BDAERO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250363062 487730137 /nfs/dbraw/zinc/73/01/37/487730137.db2.gz KHBYZOGPBAZQOA-ZSBIGDGJSA-N 1 0 238.375 1.737 10 0 BDAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000250379956 487731515 /nfs/dbraw/zinc/73/15/15/487731515.db2.gz JBDLLKXFVPIJEA-JGPRNRPPSA-N 1 0 222.332 1.243 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC[C@H]1CCCO1 ZINC000250654001 487737738 /nfs/dbraw/zinc/73/77/38/487737738.db2.gz NIDUXHVOQVFJQV-QJPTWQEYSA-N 1 0 240.347 1.047 10 0 BDAERO CCOC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C(C)C ZINC000233750615 487740609 /nfs/dbraw/zinc/74/06/09/487740609.db2.gz CBSQBOSLVKCUHN-IJLUTSLNSA-N 1 0 215.337 1.551 10 0 BDAERO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251258454 487752329 /nfs/dbraw/zinc/75/23/29/487752329.db2.gz VOYIBLYXLAJKEW-WISYIIOYSA-N 1 0 224.348 1.489 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCc1cnn(C)c1 ZINC000384873678 487752507 /nfs/dbraw/zinc/75/25/07/487752507.db2.gz PFMCTIPUNSWZCT-YPMHNXCESA-N 1 0 237.347 1.198 10 0 BDAERO CC[C@H](NC(=O)CC[NH2+]C1CC1)C(C)C ZINC000042592977 487761937 /nfs/dbraw/zinc/76/19/37/487761937.db2.gz LZLNLRUZPFKERD-NSHDSACASA-N 1 0 212.337 1.679 10 0 BDAERO COCC1(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)CCC1 ZINC000385078283 487764942 /nfs/dbraw/zinc/76/49/42/487764942.db2.gz WKPRZIDZNRIEPY-NWDGAFQWSA-N 1 0 227.348 1.648 10 0 BDAERO CCc1csc(NC[C@H]2COCC[NH2+]2)n1 ZINC000234195245 487770993 /nfs/dbraw/zinc/77/09/93/487770993.db2.gz SQCJSXIKPUXVRD-VIFPVBQESA-N 1 0 227.333 1.106 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N(C)c1ccccc1OC ZINC000223528827 487780212 /nfs/dbraw/zinc/78/02/12/487780212.db2.gz KQVFOVIXNVKWBU-JTQLQIEISA-N 1 0 236.315 1.785 10 0 BDAERO OCC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000163084361 487800107 /nfs/dbraw/zinc/80/01/07/487800107.db2.gz KMBWPSHZEUTTRZ-JTQLQIEISA-N 1 0 211.330 1.952 10 0 BDAERO CC[C@H]1CN(c2cc(C)ncn2)CC[C@H]1[NH3+] ZINC000251847576 487803288 /nfs/dbraw/zinc/80/32/88/487803288.db2.gz RKTUSLJEHNPDHE-WDEREUQCSA-N 1 0 220.320 1.349 10 0 BDAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000385869751 487811051 /nfs/dbraw/zinc/81/10/51/487811051.db2.gz IZUMJKDOPRSTAW-ZOBORPQBSA-N 1 0 241.375 1.630 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc([C@@H]2CCCO2)no1 ZINC000089431482 487814617 /nfs/dbraw/zinc/81/46/17/487814617.db2.gz WWWIULZWQKCSQT-AEJSXWLSSA-N 1 0 237.303 1.764 10 0 BDAERO Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089449735 487816911 /nfs/dbraw/zinc/81/69/11/487816911.db2.gz VBEUDSBTTXUHHZ-UONOGXRCSA-N 1 0 246.354 1.986 10 0 BDAERO CCn1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000089450751 487817984 /nfs/dbraw/zinc/81/79/84/487817984.db2.gz DITLBMQZUUFKDR-KOLCDFICSA-N 1 0 236.319 1.217 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000089462855 487823294 /nfs/dbraw/zinc/82/32/94/487823294.db2.gz HGADXMJUWRVJSC-CMPLNLGQSA-N 1 0 233.315 1.419 10 0 BDAERO C[C@H]1CCCN(c2ccnc(N(C)C)n2)[C@H]1C[NH3+] ZINC000252218842 487823392 /nfs/dbraw/zinc/82/33/92/487823392.db2.gz YMNFTKFQBOYRKO-QWRGUYRKSA-N 1 0 249.362 1.106 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1Cc2ccccc2C1 ZINC000089461433 487823856 /nfs/dbraw/zinc/82/38/56/487823856.db2.gz LBEVOMOXWSLURE-FZMZJTMJSA-N 1 0 244.338 1.904 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC=CCC1 ZINC000227372454 487825338 /nfs/dbraw/zinc/82/53/38/487825338.db2.gz SLKSTZDZBQPLGB-QJPTWQEYSA-N 1 0 222.332 1.586 10 0 BDAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCNC1=O ZINC000676234487 487825401 /nfs/dbraw/zinc/82/54/01/487825401.db2.gz ZULCZDZGQBMBTH-WCQYABFASA-N 1 0 232.327 1.486 10 0 BDAERO O=C1NCC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000676235023 487825900 /nfs/dbraw/zinc/82/59/00/487825900.db2.gz YWTMEMIAZVLVOO-CMPLNLGQSA-N 1 0 246.310 1.031 10 0 BDAERO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252686435 487829527 /nfs/dbraw/zinc/82/95/27/487829527.db2.gz JSOHPVCRTLDTAH-NOHGZBONSA-N 1 0 224.348 1.522 10 0 BDAERO C[C@@](C[NH3+])(NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000252684862 487829706 /nfs/dbraw/zinc/82/97/06/487829706.db2.gz HFACEUQNWDFXJD-WJZNIJOASA-N 1 0 222.332 1.276 10 0 BDAERO CC1(C)CC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000395281175 487848844 /nfs/dbraw/zinc/84/88/44/487848844.db2.gz CPKOMKPWAUKJSY-DTWKUNHWSA-N 1 0 210.321 1.419 10 0 BDAERO CC1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]CC1 ZINC000253176471 487857239 /nfs/dbraw/zinc/85/72/39/487857239.db2.gz GCLGCHUEOIAEQH-JGPRNRPPSA-N 1 0 222.332 1.291 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCCC[C@H]1C(C)C ZINC000395736871 487867803 /nfs/dbraw/zinc/86/78/03/487867803.db2.gz RKJLUJHZIPQCGP-MNOVXSKESA-N 1 0 212.337 1.631 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000682029752 487883276 /nfs/dbraw/zinc/88/32/76/487883276.db2.gz VEIVWBCBWZRFAF-SCZZXKLOSA-N 1 0 207.264 1.734 10 0 BDAERO [NH3+]Cc1cnn(Cc2cccc(F)c2)c1 ZINC000054716758 487883035 /nfs/dbraw/zinc/88/30/35/487883035.db2.gz WBHAYEXRVHUNPA-UHFFFAOYSA-N 1 0 205.236 1.529 10 0 BDAERO COc1cccc(CN2C[C@H]([NH3+])[C@@H](C)C2)c1F ZINC000234981259 487899162 /nfs/dbraw/zinc/89/91/62/487899162.db2.gz KMQWNEPDPUEDRA-ONGXEEELSA-N 1 0 238.306 1.613 10 0 BDAERO C[NH2+][C@H](C)CNCc1nc2c(s1)CCC2 ZINC000666896860 487899526 /nfs/dbraw/zinc/89/95/26/487899526.db2.gz FNKMODFZQXDZMO-MRVPVSSYSA-N 1 0 225.361 1.329 10 0 BDAERO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000164846283 487902451 /nfs/dbraw/zinc/90/24/51/487902451.db2.gz DTJPCMDIEFVWGU-CMPLNLGQSA-N 1 0 233.315 1.704 10 0 BDAERO CCC[C@@H](C)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000668541295 487910272 /nfs/dbraw/zinc/91/02/72/487910272.db2.gz MDGGRUCOGMWAGM-GHMZBOCLSA-N 1 0 227.352 1.616 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000668541925 487913643 /nfs/dbraw/zinc/91/36/43/487913643.db2.gz XCXMIPZDWAPPJF-GUBZILKMSA-N 1 0 213.325 1.164 10 0 BDAERO CC(C)([NH3+])c1cn(CC[C@@H]2CCCO2)nn1 ZINC000083530635 487918717 /nfs/dbraw/zinc/91/87/17/487918717.db2.gz VIOWSFRZHMAKNR-VIFPVBQESA-N 1 0 224.308 1.041 10 0 BDAERO CC(C)c1nsc(NC[C@@H](C)[NH3+])n1 ZINC000083670788 487926442 /nfs/dbraw/zinc/92/64/42/487926442.db2.gz QCGZEQBWZYNGNA-ZCFIWIBFSA-N 1 0 200.311 1.421 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000667007661 487927925 /nfs/dbraw/zinc/92/79/25/487927925.db2.gz NCXAGDQSOMNRDF-SDDRHHMPSA-N 1 0 228.380 1.371 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncnc2c1CCCC2 ZINC000229596600 487929145 /nfs/dbraw/zinc/92/91/45/487929145.db2.gz GRDXWGVCHSKDDD-JQWIXIFHSA-N 1 0 246.358 1.908 10 0 BDAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)C1CC1 ZINC000083862931 487953305 /nfs/dbraw/zinc/95/33/05/487953305.db2.gz BWVABNSHANFLSO-QWRGUYRKSA-N 1 0 226.364 1.912 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1ncnc2ccccc21 ZINC000044559801 322842694 /nfs/dbraw/zinc/84/26/94/322842694.db2.gz ALEHJZPOFPQUJU-LLVKDONJSA-N 1 0 242.326 1.947 10 0 BDAERO CC(C)N1C[C@H]([NH2+]CC2=CCCOC2)[C@@H](C)C1 ZINC000127854989 323005811 /nfs/dbraw/zinc/00/58/11/323005811.db2.gz YSTANZRNDZXVRM-JSGCOSHPSA-N 1 0 238.375 1.651 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1ccc2n[nH]cc2c1 ZINC000570162755 323051556 /nfs/dbraw/zinc/05/15/56/323051556.db2.gz PJPPPRXJKUZDGN-MRVPVSSYSA-N 1 0 232.287 1.030 10 0 BDAERO Cc1cc(C)nc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000165737008 323069644 /nfs/dbraw/zinc/06/96/44/323069644.db2.gz QJJMSZDIQGHRGJ-SFYZADRCSA-N 1 0 208.309 1.631 10 0 BDAERO CCOc1cncc(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000165742214 323069774 /nfs/dbraw/zinc/06/97/74/323069774.db2.gz NGGNCIBIXXVHSQ-RKDXNWHRSA-N 1 0 224.308 1.413 10 0 BDAERO COC[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000228295140 323082157 /nfs/dbraw/zinc/08/21/57/323082157.db2.gz XMVJPTFBBLXTJR-SDDRHHMPSA-N 1 0 214.353 1.340 10 0 BDAERO C[C@H]1CCCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000394773440 323108651 /nfs/dbraw/zinc/10/86/51/323108651.db2.gz GPFPMCWNJNTWPS-IUCAKERBSA-N 1 0 249.305 1.410 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCCO[C@@H]1CCOC1 ZINC000563430991 323125046 /nfs/dbraw/zinc/12/50/46/323125046.db2.gz CAKBLQONNUCSBA-JHJVBQTASA-N 1 0 243.347 1.075 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cscn1 ZINC000563451208 323126435 /nfs/dbraw/zinc/12/64/35/323126435.db2.gz MFTJBIKPIIXLJG-BDAKNGLRSA-N 1 0 239.344 1.320 10 0 BDAERO CC[C@@H]1C[NH+](CC(C)(C)O)C[C@@H](CC)O1 ZINC000398578168 323186703 /nfs/dbraw/zinc/18/67/03/323186703.db2.gz KWGCSWVTAGJPPU-GHMZBOCLSA-N 1 0 215.337 1.647 10 0 BDAERO Cc1c(CNCC[N@H+]2CC[C@H](C)C2)cnn1C ZINC000535958415 323194954 /nfs/dbraw/zinc/19/49/54/323194954.db2.gz FOFZWIVPDOJFHO-NSHDSACASA-N 1 0 236.363 1.160 10 0 BDAERO C[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)C(C)(C)C ZINC000399110900 323196937 /nfs/dbraw/zinc/19/69/37/323196937.db2.gz BSZHDOZIRGATAS-IVZWLZJFSA-N 1 0 212.337 1.617 10 0 BDAERO Cc1nccn1CC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399239187 323201412 /nfs/dbraw/zinc/20/14/12/323201412.db2.gz IBZLQTXVQNLXBN-JQWIXIFHSA-N 1 0 223.320 1.037 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000399330112 323203917 /nfs/dbraw/zinc/20/39/17/323203917.db2.gz YAFOQJBIHSCEHD-GXFFZTMASA-N 1 0 248.326 1.131 10 0 BDAERO C[C@@H](N[C@H]1CCC[NH2+][C@H]1C)[C@@H]1CCCO1 ZINC000396615116 323393891 /nfs/dbraw/zinc/39/38/91/323393891.db2.gz SCECPDZUQGNGNQ-USZNOCQGSA-N 1 0 212.337 1.284 10 0 BDAERO C[C@@H]([NH2+]C1(C(N)=O)CC1)C1C(C)(C)C1(C)C ZINC000309603013 323431659 /nfs/dbraw/zinc/43/16/59/323431659.db2.gz YBFLABQDHINZHV-MRVPVSSYSA-N 1 0 224.348 1.665 10 0 BDAERO [NH3+]C[C@H](c1ccccc1O)C1(CO)CCCC1 ZINC000536955434 323965300 /nfs/dbraw/zinc/96/53/00/323965300.db2.gz ZODLFVWPGXHLDE-GFCCVEGCSA-N 1 0 235.327 1.987 10 0 BDAERO C[NH2+][C@H](C)c1nc(N(C(C)C)C(C)C)n[nH]1 ZINC000536958165 323969681 /nfs/dbraw/zinc/96/96/81/323969681.db2.gz WPQJSPZSQHSJGQ-SECBINFHSA-N 1 0 225.340 1.708 10 0 BDAERO CC(C)Cn1cc([C@@H]2[NH2+]C[C@]23CCOC3)cn1 ZINC000536959835 323972938 /nfs/dbraw/zinc/97/29/38/323972938.db2.gz LUMOQRQZPPRTAG-STQMWFEESA-N 1 0 235.331 1.590 10 0 BDAERO c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000253596437 324191760 /nfs/dbraw/zinc/19/17/60/324191760.db2.gz RELYYHJESFSLRE-AAEUAGOBSA-N 1 0 233.315 1.405 10 0 BDAERO C[C@H]1CN(Cc2ncccc2Cl)C[C@H]1[NH3+] ZINC000530227043 324547547 /nfs/dbraw/zinc/54/75/47/324547547.db2.gz QXUBZQNRHFDRFM-WCBMZHEXSA-N 1 0 225.723 1.514 10 0 BDAERO c1ccc2c(c1)ncnc2N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000037715815 324573217 /nfs/dbraw/zinc/57/32/17/324573217.db2.gz CNNAXRWGBVHQKP-GXFFZTMASA-N 1 0 240.310 1.428 10 0 BDAERO CC(C)OC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000127592572 324777351 /nfs/dbraw/zinc/77/73/51/324777351.db2.gz HNHNBJBKEOWPIB-VHSXEESVSA-N 1 0 214.309 1.413 10 0 BDAERO CC(C)C[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000133399862 325293304 /nfs/dbraw/zinc/29/33/04/325293304.db2.gz KPRVNUDCSUVHRZ-NWDGAFQWSA-N 1 0 241.379 1.767 10 0 BDAERO CS[C@@H](C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000133855032 325323902 /nfs/dbraw/zinc/32/39/02/325323902.db2.gz ZTCMIUUYZSVDSF-UWVGGRQHSA-N 1 0 245.392 1.083 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1(C)C ZINC000134076679 325341436 /nfs/dbraw/zinc/34/14/36/325341436.db2.gz QVBYQOZJGRFSQH-WYUUTHIRSA-N 1 0 227.348 1.957 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)C1(C)C ZINC000134076911 325341780 /nfs/dbraw/zinc/34/17/80/325341780.db2.gz QVBYQOZJGRFSQH-DDHJBXDOSA-N 1 0 227.348 1.957 10 0 BDAERO CCC[C@H](C(=O)NCc1cncc(C)c1)[NH+](C)C ZINC000134350033 325354836 /nfs/dbraw/zinc/35/48/36/325354836.db2.gz XVRKZRMMNAGSJB-CYBMUJFWSA-N 1 0 249.358 1.737 10 0 BDAERO CCC[C@H](C(=O)N1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000246591313 325572787 /nfs/dbraw/zinc/57/27/87/325572787.db2.gz OEFINLWGVNBLFF-SDDRHHMPSA-N 1 0 242.363 1.353 10 0 BDAERO COCCC[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000248122563 325600919 /nfs/dbraw/zinc/60/09/19/325600919.db2.gz NOKSZYZGQFYSLJ-YNEHKIRRSA-N 1 0 229.364 1.942 10 0 BDAERO Fc1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000567717600 326250765 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YSZHJYLAMFNARI-RYUDHWBXSA-N 1 0 242.363 1.245 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC2(CCC2)CC1 ZINC000308705866 488215351 /nfs/dbraw/zinc/21/53/51/488215351.db2.gz IWXFDICDMJSRKV-LLVKDONJSA-N 1 0 222.332 1.389 10 0 BDAERO c1ccc2c(c1)ccnc2CNC[C@@H]1CC[NH2+]C1 ZINC000398360981 488217128 /nfs/dbraw/zinc/21/71/28/488217128.db2.gz JJLKWSAFEKWAOH-GFCCVEGCSA-N 1 0 241.338 1.934 10 0 BDAERO O=C1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3O)CN1 ZINC000398338007 488217324 /nfs/dbraw/zinc/21/73/24/488217324.db2.gz FCELMGURLGNYNG-JOYOIKCWSA-N 1 0 246.310 1.105 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNC(=O)C2)o1 ZINC000398363611 488217430 /nfs/dbraw/zinc/21/74/30/488217430.db2.gz KJVNWJFNEHIDDB-ZJUUUORDSA-N 1 0 222.288 1.375 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC2(CCC2)CC1 ZINC000308711976 488217435 /nfs/dbraw/zinc/21/74/35/488217435.db2.gz PJMPCTUURRKKLF-LLVKDONJSA-N 1 0 224.348 1.907 10 0 BDAERO c1n[nH]cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000678218845 488219099 /nfs/dbraw/zinc/21/90/99/488219099.db2.gz MWFTVSVPTYDLIV-GFCCVEGCSA-N 1 0 220.320 1.080 10 0 BDAERO C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668196192 488220657 /nfs/dbraw/zinc/22/06/57/488220657.db2.gz FXPFXVZWVAXQGE-ZZVYKPCYSA-N 1 0 239.359 1.695 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000054071765 490191403 /nfs/dbraw/zinc/19/14/03/490191403.db2.gz KNNGGFZWNZACDC-SSDOTTSWSA-N 1 0 235.312 1.843 10 0 BDAERO CC[NH2+]Cc1ccc(N2CCSCC2)nn1 ZINC000051438029 535477931 /nfs/dbraw/zinc/47/79/31/535477931.db2.gz AXBDTZGTKIEQPN-UHFFFAOYSA-N 1 0 238.360 1.139 10 0 BDAERO CN(c1ncnc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071311658 490221944 /nfs/dbraw/zinc/22/19/44/490221944.db2.gz DRWKIYBRLANYNE-JTQLQIEISA-N 1 0 228.299 1.428 10 0 BDAERO CCOC[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000222654490 490654327 /nfs/dbraw/zinc/65/43/27/490654327.db2.gz JGIUVYUKGCQFCO-HBNTYKKESA-N 1 0 201.310 1.305 10 0 BDAERO COCC[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000086929402 491065149 /nfs/dbraw/zinc/06/51/49/491065149.db2.gz UGRVKCFLWHOZPI-QWHCGFSZSA-N 1 0 226.364 1.582 10 0 BDAERO COc1cc(NC(=O)CC[C@H]2CCC[NH2+]2)ccn1 ZINC000310940349 491062815 /nfs/dbraw/zinc/06/28/15/491062815.db2.gz JKRLBUIOFMQALO-SNVBAGLBSA-N 1 0 249.314 1.561 10 0 BDAERO [NH3+][C@H]1c2c(cc(Cl)cc2Cl)C[C@H]1O ZINC000039941449 491110655 /nfs/dbraw/zinc/11/06/55/491110655.db2.gz IJHKJZKBSPGVQB-VXNVDRBHSA-N 1 0 218.083 1.910 10 0 BDAERO C[C@@](O)(CO)C[NH2+]Cc1ccnc2ccccc12 ZINC000090285990 491124322 /nfs/dbraw/zinc/12/43/22/491124322.db2.gz GIBSMPRDKLPVEE-AWEZNQCLSA-N 1 0 246.310 1.068 10 0 BDAERO COc1cc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)ccn1 ZINC000395236202 491125692 /nfs/dbraw/zinc/12/56/92/491125692.db2.gz JLXYIBQFQTXRPY-KOLCDFICSA-N 1 0 249.314 1.417 10 0 BDAERO C[C@@H]1CC(C[NH2+]C2CSC2)C[C@@H](C)O1 ZINC000307696977 491134253 /nfs/dbraw/zinc/13/42/53/491134253.db2.gz FRJZOOWLZBWSDU-RKDXNWHRSA-N 1 0 215.362 1.895 10 0 BDAERO CC[C@H](C)C[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000309699017 491154685 /nfs/dbraw/zinc/15/46/85/491154685.db2.gz 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1 0 210.321 1.246 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1ncccc1Br ZINC000757145881 582528758 /nfs/dbraw/zinc/52/87/58/582528758.db2.gz LYPPODDITBNKFM-ZETCQYMHSA-N 1 0 242.120 1.382 10 0 BDAERO CC[C@@H]1[NH2+]CC(C)(C)[C@@]2(CCCOC2)O1 ZINC000757146955 582530542 /nfs/dbraw/zinc/53/05/42/582530542.db2.gz RNGOKFABKHRAIG-PWSUYJOCSA-N 1 0 213.321 1.918 10 0 BDAERO CC(C)[C@@H]1[NH2+][C@@]2(CCN(C)C2)OCC1(C)C ZINC000757147716 582531388 /nfs/dbraw/zinc/53/13/88/582531388.db2.gz MNQAJHYFMQBHCV-AAEUAGOBSA-N 1 0 226.364 1.689 10 0 BDAERO CN1CC[C@@]2(C1)[NH2+]CC1(CCCCC1)CO2 ZINC000757148999 582533473 /nfs/dbraw/zinc/53/34/73/582533473.db2.gz PCAUANZCGWUHDQ-CYBMUJFWSA-N 1 0 224.348 1.589 10 0 BDAERO Cc1ccoc1CSC[C@](C)(O)C[NH3+] ZINC000757166930 582547350 /nfs/dbraw/zinc/54/73/50/582547350.db2.gz TUUHICRHTNUTFZ-SNVBAGLBSA-N 1 0 215.318 1.531 10 0 BDAERO CCc1ccc(CSC[C@H]([NH3+])CO)o1 ZINC000757168508 582549301 /nfs/dbraw/zinc/54/93/01/582549301.db2.gz ALJHMWREVNGKGZ-MRVPVSSYSA-N 1 0 215.318 1.395 10 0 BDAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2c2cccs2)N1 ZINC000235435491 582580169 /nfs/dbraw/zinc/58/01/69/582580169.db2.gz NEKHQQHYTYXEMT-BDAKNGLRSA-N 1 0 221.329 1.843 10 0 BDAERO C/C(=C/c1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000229017947 518413934 /nfs/dbraw/zinc/41/39/34/518413934.db2.gz DINOKLNQCKNBJX-PRWOLLLXSA-N 1 0 230.311 1.650 10 0 BDAERO FC(F)(F)C[C@H]1CN(c2ccccn2)CC[NH2+]1 ZINC000504719084 534396329 /nfs/dbraw/zinc/39/63/29/534396329.db2.gz GGIKIQIRVVLTGA-VIFPVBQESA-N 1 0 245.248 1.812 10 0 BDAERO C[NH+](C)[C@]1(CO)CCN(Cc2ccccc2)C1 ZINC000095533123 522110120 /nfs/dbraw/zinc/11/01/20/522110120.db2.gz SEJPFZLKANOSNT-CQSZACIVSA-N 1 0 234.343 1.185 10 0 BDAERO CC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091547622 534867422 /nfs/dbraw/zinc/86/74/22/534867422.db2.gz IQDFDCTUAFJWAQ-NWDGAFQWSA-N 1 0 246.310 1.955 10 0 BDAERO CCOC(=O)c1ccc(C[NH3+])cc1OC ZINC000261148422 582901026 /nfs/dbraw/zinc/90/10/26/582901026.db2.gz QXOKFBCHCQTGQY-UHFFFAOYSA-N 1 0 209.245 1.331 10 0 BDAERO C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1scnc1C ZINC000309493366 536469030 /nfs/dbraw/zinc/46/90/30/536469030.db2.gz BRAOFWDNFJKUMG-NXEZZACHSA-N 1 0 243.351 1.583 10 0 BDAERO [NH3+][C@@H]1CCO[C@@H]1c1ccnn1-c1ccccc1 ZINC000238851135 527363860 /nfs/dbraw/zinc/36/38/60/527363860.db2.gz FHFZBXDOKCTNNY-YPMHNXCESA-N 1 0 229.283 1.661 10 0 BDAERO CC(C)[C@H]([NH3+])CCN(C)c1ccccn1 ZINC000227738372 535067847 /nfs/dbraw/zinc/06/78/47/535067847.db2.gz QDLUIEMFWKCEMU-LLVKDONJSA-N 1 0 207.321 1.891 10 0 BDAERO CC(C)(C)c1ccnc(NCCC[NH3+])n1 ZINC000258067773 535134446 /nfs/dbraw/zinc/13/44/46/535134446.db2.gz GXZTWHPMJRFIFA-UHFFFAOYSA-N 1 0 208.309 1.535 10 0 BDAERO CC(C)(C[NH2+]C1COC1)c1ccccc1 ZINC000082488140 535146097 /nfs/dbraw/zinc/14/60/97/535146097.db2.gz SIISCIVEAWYTJH-UHFFFAOYSA-N 1 0 205.301 1.953 10 0 BDAERO CC(C)n1nnnc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177546927 535169760 /nfs/dbraw/zinc/16/97/60/535169760.db2.gz HMKUCZYHHRNMNE-VXGBXAGGSA-N 1 0 249.362 1.876 10 0 BDAERO CC(C)COCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000253082559 535177058 /nfs/dbraw/zinc/17/70/58/535177058.db2.gz XHFMDJMEONGBCO-KGLIPLIRSA-N 1 0 240.391 1.828 10 0 BDAERO CC(C)[NH+]1CCN(c2cc(F)ccc2N)CC1 ZINC000052120621 535201188 /nfs/dbraw/zinc/20/11/88/535201188.db2.gz ADFQTVAPPJYQGI-UHFFFAOYSA-N 1 0 237.322 1.938 10 0 BDAERO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000235396777 535251069 /nfs/dbraw/zinc/25/10/69/535251069.db2.gz NDLATCGFQCJUOD-CYZMBNFOSA-N 1 0 236.359 1.847 10 0 BDAERO CC(C)(O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253099525 535304369 /nfs/dbraw/zinc/30/43/69/535304369.db2.gz VCDJFBPVHLDLSU-UPJWGTAASA-N 1 0 241.375 1.773 10 0 BDAERO CC1(C)CN(C(=O)C2CC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000262036365 535332849 /nfs/dbraw/zinc/33/28/49/535332849.db2.gz PTRPFRBSEZTGLJ-VIFPVBQESA-N 1 0 246.301 1.618 10 0 BDAERO CC[NH2+]Cc1cc(N2CCSCC2)ccn1 ZINC000051437967 535478146 /nfs/dbraw/zinc/47/81/46/535478146.db2.gz QIECIMVPWJPTNS-UHFFFAOYSA-N 1 0 237.372 1.744 10 0 BDAERO CCOC(=O)[C@H](CC)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567070 535647360 /nfs/dbraw/zinc/64/73/60/535647360.db2.gz ZMRFKQWEODNRRR-QWRGUYRKSA-N 1 0 242.363 1.387 10 0 BDAERO CCOC(=O)[C@H](CC)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567071 535647710 /nfs/dbraw/zinc/64/77/10/535647710.db2.gz ZMRFKQWEODNRRR-WDEREUQCSA-N 1 0 242.363 1.387 10 0 BDAERO CCOC[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000250577392 535690409 /nfs/dbraw/zinc/69/04/09/535690409.db2.gz XPHCHYIRIRLCTH-QJPTWQEYSA-N 1 0 215.337 1.695 10 0 BDAERO CCN(Cc1ccccc1)C(=O)C1C[NH2+]C1 ZINC000084408605 535787764 /nfs/dbraw/zinc/78/77/64/535787764.db2.gz VVIURXRZBNKWRM-UHFFFAOYSA-N 1 0 218.300 1.255 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000085790124 535804696 /nfs/dbraw/zinc/80/46/96/535804696.db2.gz IVVYUTLHGCENRG-VXGBXAGGSA-N 1 0 212.337 1.095 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000249143288 535845677 /nfs/dbraw/zinc/84/56/77/535845677.db2.gz WQNKWMRQLAPMJR-NEPJUHHUSA-N 1 0 238.335 1.076 10 0 BDAERO CCc1cnc(CN2CC[C@H]([NH3+])[C@H]2C)s1 ZINC000335662265 536037039 /nfs/dbraw/zinc/03/70/39/536037039.db2.gz LNTGUNKOTIGWSY-SCZZXKLOSA-N 1 0 225.361 1.627 10 0 BDAERO CCc1c(C)nc(N2CCC(C)CC2)[nH+]c1NN ZINC000057331596 536069872 /nfs/dbraw/zinc/06/98/72/536069872.db2.gz FIWWRUDBVMWXIC-UHFFFAOYSA-N 1 0 249.362 1.869 10 0 BDAERO CCn1cccc1C[NH2+][C@H](C)C[C@@H](C)O ZINC000164632560 536102343 /nfs/dbraw/zinc/10/23/43/536102343.db2.gz OCGOXDUYLMFTAL-GHMZBOCLSA-N 1 0 210.321 1.757 10 0 BDAERO CCc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc(C)n1 ZINC000234156038 536147811 /nfs/dbraw/zinc/14/78/11/536147811.db2.gz FGIJBMOROSHGLO-ZWNOBZJWSA-N 1 0 248.374 1.911 10 0 BDAERO CCc1ncnc(N2CCC(C[NH3+])CC2)c1C ZINC000045954856 536175333 /nfs/dbraw/zinc/17/53/33/536175333.db2.gz NXCZFPBYKNXVLI-UHFFFAOYSA-N 1 0 234.347 1.523 10 0 BDAERO CCc1ccc(Cn2cc[nH+]c2N)nc1 ZINC000702617030 582926543 /nfs/dbraw/zinc/92/65/43/582926543.db2.gz GIAQORFRNKZCNS-UHFFFAOYSA-N 1 0 202.261 1.471 10 0 BDAERO COC1(C[N@@H+]2CC[C@](C)(F)C2)CCC1 ZINC000336199274 536628619 /nfs/dbraw/zinc/62/86/19/536628619.db2.gz WVFXGTQHASHMLI-JTQLQIEISA-N 1 0 201.285 1.989 10 0 BDAERO COc1ccc2nc(N3CC[NH2+]CC3)ccc2c1 ZINC000058020078 537054810 /nfs/dbraw/zinc/05/48/10/537054810.db2.gz CAQRXQFEWPUTBK-UHFFFAOYSA-N 1 0 243.310 1.653 10 0 BDAERO C[C@@H]1C[NH2+]C[C@]12CN(C(C)(C)C)CCC2=O ZINC000725245686 538003237 /nfs/dbraw/zinc/00/32/37/538003237.db2.gz LPCQLUWVRAXSLB-MFKMUULPSA-N 1 0 224.348 1.285 10 0 BDAERO CN1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000224430051 566322667 /nfs/dbraw/zinc/32/26/67/566322667.db2.gz GPLDXEWTCNLGQJ-RVMXOQNASA-N 1 0 238.375 1.484 10 0 BDAERO COCC(=O)N1c2ccccc2CCC[C@H]1C[NH3+] ZINC000725262692 566308956 /nfs/dbraw/zinc/30/89/56/566308956.db2.gz LTLCHEZGIWJBPU-LBPRGKRZSA-N 1 0 248.326 1.330 10 0 BDAERO C[C@H]1CN(Cc2ccnc(Cl)c2)C[C@H]1[NH3+] ZINC000300049366 582483623 /nfs/dbraw/zinc/48/36/23/582483623.db2.gz REWZUUTYRLOVJS-WCBMZHEXSA-N 1 0 225.723 1.514 10 0 BDAERO CC(C)(F)[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757124666 582499374 /nfs/dbraw/zinc/49/93/74/582499374.db2.gz CJTMXZFATSOPGV-ZETCQYMHSA-N 1 0 218.297 1.426 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@]12CCCN2CC(F)F ZINC000757125495 582500569 /nfs/dbraw/zinc/50/05/69/582500569.db2.gz DXAGCRISPUIYPV-GXSJLCMTSA-N 1 0 218.291 1.858 10 0 BDAERO COCCN1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757128142 582502616 /nfs/dbraw/zinc/50/26/16/582502616.db2.gz IYJPTKYWGGZPFC-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO C[C@H](F)CN1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757133891 582510166 /nfs/dbraw/zinc/51/01/66/582510166.db2.gz VMMPYNOTRYCLQZ-SDDRHHMPSA-N 1 0 214.328 1.808 10 0 BDAERO CC(C)n1nnc(C[NH3+])c1C1CCOCC1 ZINC000757136241 582515456 /nfs/dbraw/zinc/51/54/56/582515456.db2.gz CPMBMIZJYUQGFZ-UHFFFAOYSA-N 1 0 224.308 1.212 10 0 BDAERO C[C@@H]1[NH2+][C@]2(CCCOCC2)OCC12CC2 ZINC000757139181 582519701 /nfs/dbraw/zinc/51/97/01/582519701.db2.gz GEOFQRMJRAFOHN-CMPLNLGQSA-N 1 0 211.305 1.672 10 0 BDAERO [NH3+]C[C@H]1CCN1Cc1cc(F)cc(F)c1 ZINC000757140709 582520790 /nfs/dbraw/zinc/52/07/90/582520790.db2.gz AVFJTOXPDRGLTC-LLVKDONJSA-N 1 0 212.243 1.498 10 0 BDAERO [NH3+]C[C@@H]1CCN1CCSc1ccccc1 ZINC000757140632 582520865 /nfs/dbraw/zinc/52/08/65/582520865.db2.gz AFBTZOOCPACEPQ-NSHDSACASA-N 1 0 222.357 1.812 10 0 BDAERO CC(C)(C)[C@H]1CCO[C@]2(CN3CCC2CC3)[NH2+]1 ZINC000757140443 582520954 /nfs/dbraw/zinc/52/09/54/582520954.db2.gz MOGTXAPQJJYYEG-OCCSQVGLSA-N 1 0 238.375 1.833 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1nccc2occc21 ZINC000757140846 582521706 /nfs/dbraw/zinc/52/17/06/582521706.db2.gz FQQOBMJEUKMSKT-QMMMGPOBSA-N 1 0 203.245 1.365 10 0 BDAERO c1ccc([C@@H]2CCO[C@@]3(CCC[NH2+]C3)N2)cc1 ZINC000757144447 582525866 /nfs/dbraw/zinc/52/58/66/582525866.db2.gz OBNVJDMQQUWQCJ-UONOGXRCSA-N 1 0 232.327 1.817 10 0 BDAERO c1ccc([C@H]2CCO[C@]3(CCC[NH2+]C3)N2)cc1 ZINC000757144446 582525980 /nfs/dbraw/zinc/52/59/80/582525980.db2.gz OBNVJDMQQUWQCJ-KGLIPLIRSA-N 1 0 232.327 1.817 10 0 BDAERO C[C@@H]1O[C@]2(COC(C)(C)C2)[NH2+]CC1(C)C ZINC000757145282 582527252 /nfs/dbraw/zinc/52/72/52/582527252.db2.gz IGNXGFPTHUTERO-JOYOIKCWSA-N 1 0 213.321 1.916 10 0 BDAERO c1ccc(C[C@@H]2CCO[C@@]3(CCC[NH2+]C3)N2)cc1 ZINC000757145188 582527881 /nfs/dbraw/zinc/52/78/81/582527881.db2.gz HYGYADBFCZPILP-LSDHHAIUSA-N 1 0 246.354 1.687 10 0 BDAERO CC(C)[C@@H]1C[NH2+][C@@]2(CN3CCC2CC3)OC1 ZINC000757146914 582530374 /nfs/dbraw/zinc/53/03/74/582530374.db2.gz LSXCCLSGYOLHQV-YPMHNXCESA-N 1 0 224.348 1.300 10 0 BDAERO CCC(CC)[C@H]([NH3+])CS(=O)(=O)N1CCCC1 ZINC000757147501 582532115 /nfs/dbraw/zinc/53/21/15/582532115.db2.gz CEZFZFJSWBXVMP-LLVKDONJSA-N 1 0 248.392 1.176 10 0 BDAERO C1CCC2(C1)C[NH2+][C@@]1(CN3CCC1CC3)OC2 ZINC000757148439 582532766 /nfs/dbraw/zinc/53/27/66/582532766.db2.gz VBAIOSNHYBKRMJ-AWEZNQCLSA-N 1 0 236.359 1.589 10 0 BDAERO CC1(C)CC[NH2+]C2(CCSCC2)O1 ZINC000757152668 582537443 /nfs/dbraw/zinc/53/74/43/582537443.db2.gz UUQKAPMCBGOHPO-UHFFFAOYSA-N 1 0 201.335 1.998 10 0 BDAERO Cc1ccoc1CSC[C@H](O)C[NH3+] ZINC000757165340 582546955 /nfs/dbraw/zinc/54/69/55/582546955.db2.gz KDMAVVWDCWFYAN-MRVPVSSYSA-N 1 0 201.291 1.141 10 0 BDAERO C[NH2+][C@@H](CO)[C@H](C)SCc1occc1C ZINC000757166488 582547604 /nfs/dbraw/zinc/54/76/04/582547604.db2.gz VUKFHPMEIYOAQM-UWVGGRQHSA-N 1 0 229.345 1.790 10 0 BDAERO Cc1ccoc1CSC[C@](C)([NH3+])CO ZINC000757166046 582548137 /nfs/dbraw/zinc/54/81/37/582548137.db2.gz RAMKYBQCLMNZQQ-SNVBAGLBSA-N 1 0 215.318 1.531 10 0 BDAERO C[C@@H](SCc1ccc(Cl)o1)[C@H]([NH3+])C(N)=O ZINC000757171690 582551470 /nfs/dbraw/zinc/55/14/70/582551470.db2.gz VIXANZLJIZANII-XRGYYRRGSA-N 1 0 248.735 1.367 10 0 BDAERO [NH3+][C@@H](CO)Cc1cn(C2CCCCC2)cn1 ZINC000757185256 582554716 /nfs/dbraw/zinc/55/47/16/582554716.db2.gz BYKYYRKTDCSNOU-SNVBAGLBSA-N 1 0 223.320 1.250 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(N)cc1 ZINC000757185385 582554734 /nfs/dbraw/zinc/55/47/34/582554734.db2.gz TXGSXMZPYCAJHO-VXGBXAGGSA-N 1 0 234.299 1.135 10 0 BDAERO Cc1nn(-c2cccc(C)n2)cc1C[NH3+] ZINC000757191438 582556429 /nfs/dbraw/zinc/55/64/29/582556429.db2.gz PIUPOVGNQNMKMZ-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO C[C@@H]1CCNc2cc(C3CC[NH2+]CC3)nn21 ZINC000235334076 582560226 /nfs/dbraw/zinc/56/02/26/582560226.db2.gz DNURRPUKCSVTDI-SECBINFHSA-N 1 0 220.320 1.727 10 0 BDAERO C[C@@H]1CC[C@H]([C@@H]2CCn3cc[nH+]c3N2)O1 ZINC000235376582 582570146 /nfs/dbraw/zinc/57/01/46/582570146.db2.gz XAWPONVXJYBTFW-KXUCPTDWSA-N 1 0 207.277 1.635 10 0 BDAERO Nc1[nH+]ccn1CCOc1ccccc1 ZINC000236347185 582652845 /nfs/dbraw/zinc/65/28/45/582652845.db2.gz VIJIIPGVOQNAMQ-UHFFFAOYSA-N 1 0 203.245 1.544 10 0 BDAERO c1cc2c(s1)CC[NH2+][C@H]2[C@H]1CCOC1 ZINC000306555990 582652978 /nfs/dbraw/zinc/65/29/78/582652978.db2.gz FQTHGNKANUMURE-KWQFWETISA-N 1 0 209.314 1.971 10 0 BDAERO Fc1cccc(-c2cnnn2[C@@H]2CC[NH2+]C2)c1 ZINC000258471253 582712059 /nfs/dbraw/zinc/71/20/59/582712059.db2.gz IOKCIKGBHQUEKU-LLVKDONJSA-N 1 0 232.262 1.619 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000127822875 582821533 /nfs/dbraw/zinc/82/15/33/582821533.db2.gz UDYHVCIRBBPKEX-AAEUAGOBSA-N 1 0 232.327 1.343 10 0 BDAERO c1nc2c([nH]1)[C@@H]([C@H]1CCCOC1)[NH2+]CC2 ZINC000259479064 582834337 /nfs/dbraw/zinc/83/43/37/582834337.db2.gz NCZYTMRHQUMHGQ-WCBMZHEXSA-N 1 0 207.277 1.023 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@H](C)CCCCO)C1 ZINC000394581314 582995206 /nfs/dbraw/zinc/99/52/06/582995206.db2.gz ZDCVDLBIRRZREU-CHWSQXEVSA-N 1 0 228.380 1.611 10 0 BDAERO O=C1O[C@@]2(CN1C1CCCC1)CCC[NH2+]C2 ZINC000221838440 583109885 /nfs/dbraw/zinc/10/98/85/583109885.db2.gz KJPQORDNTQXYTI-LBPRGKRZSA-N 1 0 224.304 1.503 10 0 BDAERO CC1(C)CCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000398971784 583168762 /nfs/dbraw/zinc/16/87/62/583168762.db2.gz WQXZYRTXBCITKC-ZDUSSCGKSA-N 1 0 240.391 1.611 10 0 BDAERO [NH3+][C@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 ZINC000399490060 583174634 /nfs/dbraw/zinc/17/46/34/583174634.db2.gz DGHIZVKGQDKHJR-WDEREUQCSA-N 1 0 207.277 1.082 10 0 BDAERO C=Cn1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cn1 ZINC000236534960 583203983 /nfs/dbraw/zinc/20/39/83/583203983.db2.gz RPWANCCCFPKXEE-VXGBXAGGSA-N 1 0 221.304 1.377 10 0 BDAERO FC(F)[C@@H]1CC[NH+]=C2N[C@H]3CCCC[C@@H]3N21 ZINC000236125799 583211236 /nfs/dbraw/zinc/21/12/36/583211236.db2.gz HLSQARBKHPTUTI-CIUDSAMLSA-N 1 0 229.274 1.596 10 0 BDAERO CCn1nccc1[C@H]1OCCC[C@H]1C[NH3+] ZINC000399859209 583213472 /nfs/dbraw/zinc/21/34/72/583213472.db2.gz VYEOVTOVVBEVJI-ONGXEEELSA-N 1 0 209.293 1.329 10 0 BDAERO COC(=O)C[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000097430467 584932258 /nfs/dbraw/zinc/93/22/58/584932258.db2.gz FGENCGHSZYJFTR-LLVKDONJSA-N 1 0 235.283 1.227 10 0 BDAERO CC(C)[N@@H+]1CCC=C(c2cnnn2C)C1 ZINC000757566054 586305759 /nfs/dbraw/zinc/30/57/59/586305759.db2.gz KATQBBCBGHBDOA-UHFFFAOYSA-N 1 0 206.293 1.313 10 0 BDAERO CC(C)(C)[C@H]1CCO[C@@]2(CCC[NH2+]C2)N1 ZINC000757138954 586427559 /nfs/dbraw/zinc/42/75/59/586427559.db2.gz AEVAMCDCKKJHKY-ZYHUDNBSSA-N 1 0 212.337 1.491 10 0 BDAERO c1ccc([C@@H]2CCO[C@]3(CC[NH2+]C3)N2)cc1 ZINC000757139666 586427874 /nfs/dbraw/zinc/42/78/74/586427874.db2.gz IPGSYUYJIYFANZ-STQMWFEESA-N 1 0 218.300 1.427 10 0 BDAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NCCCO2 ZINC000757138960 586427891 /nfs/dbraw/zinc/42/78/91/586427891.db2.gz AJANKLKOMOMROE-UHFFFAOYSA-N 1 0 212.337 1.633 10 0 BDAERO FC1(F)CCC2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757152878 586429771 /nfs/dbraw/zinc/42/97/71/586429771.db2.gz VCYVVYPHHJYWFK-UHFFFAOYSA-N 1 0 233.258 1.671 10 0 BDAERO Cc1cc(C[C@H](O)C2C[NH2+]C2)ccc1Cl ZINC000757161419 586431090 /nfs/dbraw/zinc/43/10/90/586431090.db2.gz VIRNFESLBMZFLF-LBPRGKRZSA-N 1 0 225.719 1.771 10 0 BDAERO COc1cc2c(cc1F)[C@H](C[NH3+])CC(=O)N2 ZINC000757175954 586433126 /nfs/dbraw/zinc/43/31/26/586433126.db2.gz PAHIJDIFPDONQF-LURJTMIESA-N 1 0 224.235 1.219 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cc(C)cc(F)c1 ZINC000757184343 586433874 /nfs/dbraw/zinc/43/38/74/586433874.db2.gz LFJLFWOLLZJKGM-RYUDHWBXSA-N 1 0 237.274 1.610 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccnc(Cl)c1 ZINC000757185898 586434251 /nfs/dbraw/zinc/43/42/51/586434251.db2.gz BJRCPQSLFQBTSD-IUCAKERBSA-N 1 0 240.690 1.211 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1csc(C)n1 ZINC000757187788 586434995 /nfs/dbraw/zinc/43/49/95/586434995.db2.gz HYVUAXQCSWLNGK-RKDXNWHRSA-N 1 0 240.328 1.318 10 0 BDAERO Cc1cc(C2(C[NH3+])CC(F)(F)C2)nc(C)n1 ZINC000757190695 586435670 /nfs/dbraw/zinc/43/56/70/586435670.db2.gz NWOGITZTIKROQC-UHFFFAOYSA-N 1 0 227.258 1.719 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ncccc1F ZINC000757192349 586436043 /nfs/dbraw/zinc/43/60/43/586436043.db2.gz YRUTZQLNOKLNNW-RKDXNWHRSA-N 1 0 238.262 1.087 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN[C@H]1c1cccc(N)c1 ZINC000757208646 586437886 /nfs/dbraw/zinc/43/78/86/586437886.db2.gz AKIQZIONGWSEJP-JFUSQASVSA-N 1 0 205.305 1.267 10 0 BDAERO [NH3+]C[C@H]1CC[NH2+][C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757208642 586438031 /nfs/dbraw/zinc/43/80/31/586438031.db2.gz AKAGHPRTAIRORE-JOYOIKCWSA-N 1 0 234.299 1.384 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2[NH2+]CCC[C@@H]2C(=O)[O-])c1 ZINC000757210898 586438780 /nfs/dbraw/zinc/43/87/80/586438780.db2.gz HNMHVSDKMJMWCB-RYUDHWBXSA-N 1 0 234.299 1.271 10 0 BDAERO NC[C@H]1C[C@H](c2cccc(N)c2)CC[NH2+]1 ZINC000757213371 586439218 /nfs/dbraw/zinc/43/92/18/586439218.db2.gz JRUBCPXZXHHPHJ-ZYHUDNBSSA-N 1 0 205.305 1.063 10 0 BDAERO CC(=O)c1ccc([C@@H]2CC[C@@H]([NH3+])CN2)cc1 ZINC000757215037 586440228 /nfs/dbraw/zinc/44/02/28/586440228.db2.gz MGLLWJBADLJQJV-OLZOCXBDSA-N 1 0 218.300 1.641 10 0 BDAERO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cccc(C(=O)[O-])c2)[NH2+]1 ZINC000757215179 586440445 /nfs/dbraw/zinc/44/04/45/586440445.db2.gz MSLZNFHSHVQSMC-JIMOISOXSA-N 1 0 248.326 1.773 10 0 BDAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](c2cccc(C=O)c2)N1 ZINC000757216800 586441130 /nfs/dbraw/zinc/44/11/30/586441130.db2.gz QCDGGOYPNRXIBO-JIMOISOXSA-N 1 0 218.300 1.639 10 0 BDAERO C[C@@H]1N[C@H](c2cccc(C=O)c2)CC[C@H]1[NH3+] ZINC000757217455 586441679 /nfs/dbraw/zinc/44/16/79/586441679.db2.gz RUMWKIWYBQBFRZ-BIMULSAOSA-N 1 0 218.300 1.639 10 0 BDAERO [NH3+][C@H]1CC[C@H](c2ccc(C=O)s2)NC1 ZINC000757220808 586442041 /nfs/dbraw/zinc/44/20/41/586442041.db2.gz ZNUHAIHLLBYYAY-IONNQARKSA-N 1 0 210.302 1.312 10 0 BDAERO CCOC(=O)[C@H]1CCC[NH2+][C@H]1c1cnn(C)c1 ZINC000757237967 586443628 /nfs/dbraw/zinc/44/36/28/586443628.db2.gz QYXYSMVOGCCJKK-QWRGUYRKSA-N 1 0 237.303 1.024 10 0 BDAERO CCOC(=O)[C@H]1CCC[NH2+][C@@H]1c1cnn(C)c1 ZINC000757237968 586443646 /nfs/dbraw/zinc/44/36/46/586443646.db2.gz QYXYSMVOGCCJKK-WDEREUQCSA-N 1 0 237.303 1.024 10 0 BDAERO c1nc2n(n1)C[C@H]([NH2+]C1CCCC1)CC2 ZINC000105906502 588229598 /nfs/dbraw/zinc/22/95/98/588229598.db2.gz VGUTYVDHRACRHL-SNVBAGLBSA-N 1 0 206.293 1.125 10 0 BDAERO FC(F)(F)SCCOC1C[NH2+]C1 ZINC000123517437 589741306 /nfs/dbraw/zinc/74/13/06/589741306.db2.gz QQTFAAVEIQNYFX-UHFFFAOYSA-N 1 0 201.213 1.228 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N1CC[NH2+]C[C@H]1C ZINC000124395226 589984475 /nfs/dbraw/zinc/98/44/75/589984475.db2.gz PVYUJJXCUQZPDI-QWHCGFSZSA-N 1 0 246.354 1.686 10 0 BDAERO [NH3+]C[C@@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000126470229 590314778 /nfs/dbraw/zinc/31/47/78/590314778.db2.gz KCNMQALDMLTFLO-QMMMGPOBSA-N 1 0 226.711 1.305 10 0 BDAERO Clc1cncc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000126481339 590319943 /nfs/dbraw/zinc/31/99/43/590319943.db2.gz FPTQJQCFMQHZHA-SSDOTTSWSA-N 1 0 212.684 1.294 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127822666 590792371 /nfs/dbraw/zinc/79/23/71/590792371.db2.gz UDYHVCIRBBPKEX-DGCLKSJQSA-N 1 0 232.327 1.343 10 0 BDAERO c1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCSC1 ZINC000128319677 590978448 /nfs/dbraw/zinc/97/84/48/590978448.db2.gz ZKKAPTPXOISOBM-NXEZZACHSA-N 1 0 238.360 1.598 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC000211221058 591149260 /nfs/dbraw/zinc/14/92/60/591149260.db2.gz NHNAMJZTOJKGTK-NWPZZWLHSA-N 1 0 203.713 1.976 10 0 BDAERO C[NH2+]CCc1noc(-c2cccc(C)c2F)n1 ZINC000132281565 591698074 /nfs/dbraw/zinc/69/80/74/591698074.db2.gz IEYVONUIVOAPQX-UHFFFAOYSA-N 1 0 235.262 1.946 10 0 BDAERO O=C(N1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000134523181 591934468 /nfs/dbraw/zinc/93/44/68/591934468.db2.gz HUGOZFVVQRZQCE-LBPRGKRZSA-N 1 0 237.347 1.372 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1C ZINC000219826460 592251259 /nfs/dbraw/zinc/25/12/59/592251259.db2.gz XALHBVYWGIRCLR-WCBMZHEXSA-N 1 0 240.328 1.384 10 0 BDAERO C[C@@H](O)c1c(F)cccc1OCC[NH+](C)C ZINC000071372295 592265381 /nfs/dbraw/zinc/26/53/81/592265381.db2.gz NJMYSFPGWUYLAQ-SECBINFHSA-N 1 0 227.279 1.819 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC000220133324 592283021 /nfs/dbraw/zinc/28/30/21/592283021.db2.gz QALCUWLKYRHCII-ZIAGYGMSSA-N 1 0 234.343 1.356 10 0 BDAERO CS[C@@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000300358076 592507109 /nfs/dbraw/zinc/50/71/09/592507109.db2.gz BFPGXUYOIOLITQ-XWLWVQCSSA-N 1 0 242.388 1.514 10 0 BDAERO C[C@H]1CN(c2nccnc2Cl)C[C@@H]1[NH+](C)C ZINC000124735416 634432548 /nfs/dbraw/zinc/43/25/48/634432548.db2.gz BWLLPBBYHJFCDR-IUCAKERBSA-N 1 0 240.738 1.516 10 0 BDAERO c1cnc(N2CC[C@@]3(C2)CCCC[NH2+]3)cn1 ZINC000257699119 634472866 /nfs/dbraw/zinc/47/28/66/634472866.db2.gz KWCBAZXCXPPIIM-GFCCVEGCSA-N 1 0 218.304 1.199 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000082123425 635409133 /nfs/dbraw/zinc/40/91/33/635409133.db2.gz SWXKQKRTYYRLEM-MNOVXSKESA-N 1 0 240.347 1.995 10 0 BDAERO Cc1cc2c(NCCCCCC[NH3+])nccn2n1 ZINC000235863429 635586631 /nfs/dbraw/zinc/58/66/31/635586631.db2.gz AUJVKZLJVQWGGG-UHFFFAOYSA-N 1 0 247.346 1.969 10 0 BDAERO Cc1cccc(N2CCC[C@@]23CC[NH2+]C3)n1 ZINC000257764045 631217376 /nfs/dbraw/zinc/21/73/76/631217376.db2.gz YVUZTPMUQKUBBY-ZDUSSCGKSA-N 1 0 217.316 1.722 10 0 BDAERO CO[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)C12CCC2 ZINC000308367816 631304959 /nfs/dbraw/zinc/30/49/59/631304959.db2.gz MLDRUNHCITZNOQ-MMVSWEMESA-N 1 0 225.332 1.305 10 0 BDAERO Cc1nnc([C@@]2([NH3+])CCC[C@@H](C)C2)n1C ZINC000042013718 631352362 /nfs/dbraw/zinc/35/23/62/631352362.db2.gz GXXNXZGQUSWVJD-LDYMZIIASA-N 1 0 208.309 1.488 10 0 BDAERO COC(=O)[C@H]1C[N@H+](Cc2cncs2)C[C@H]1C ZINC000093762364 631361545 /nfs/dbraw/zinc/36/15/45/631361545.db2.gz XALHBVYWGIRCLR-SCZZXKLOSA-N 1 0 240.328 1.384 10 0 BDAERO CC[C@@H]([NH3+])Cc1ncc(Br)cn1 ZINC000082425478 631404317 /nfs/dbraw/zinc/40/43/17/631404317.db2.gz LEVSCSMPBWXYQB-SSDOTTSWSA-N 1 0 230.109 1.519 10 0 BDAERO [NH3+]C1CC(CNC(=O)[C@H]2Cc3ccccc32)C1 ZINC000090987236 631486168 /nfs/dbraw/zinc/48/61/68/631486168.db2.gz MPYBEPYVGKXOGO-OCTTZUBCSA-N 1 0 230.311 1.180 10 0 BDAERO CN(Cc1cnns1)[C@H]1CCC[NH2+]CC1 ZINC000308808699 631511868 /nfs/dbraw/zinc/51/18/68/631511868.db2.gz AVIPNVSRUXXDIZ-VIFPVBQESA-N 1 0 226.349 1.112 10 0 BDAERO CCN(c1ccc2nccnc2n1)[C@H]1CC[NH2+]C1 ZINC000094726402 631579729 /nfs/dbraw/zinc/57/97/29/631579729.db2.gz UYHGWRBGSBRQIO-JTQLQIEISA-N 1 0 243.314 1.213 10 0 BDAERO CCC(=CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)CC ZINC000248606674 635677558 /nfs/dbraw/zinc/67/75/58/635677558.db2.gz KAYJTZWAHYOSFK-RWMBFGLXSA-N 1 0 236.359 1.929 10 0 BDAERO CC[C@@H](SC)c1nc([C@@H](C)C[NH3+])no1 ZINC000308822698 631675348 /nfs/dbraw/zinc/67/53/48/631675348.db2.gz CNUWAZUECVSBRF-NKWVEPMBSA-N 1 0 215.322 1.946 10 0 BDAERO C[C@H](C[NH2+][C@H]1CC[C@H]1C)N1CCOCC1 ZINC000308845189 631690660 /nfs/dbraw/zinc/69/06/60/631690660.db2.gz LZNYAUSSXTXYDV-UTUOFQBUSA-N 1 0 212.337 1.095 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CNC(=O)O2)o1 ZINC000291547108 631740940 /nfs/dbraw/zinc/74/09/40/631740940.db2.gz AHVCKJLKAQIESE-IUCAKERBSA-N 1 0 224.260 1.347 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000309062891 631829834 /nfs/dbraw/zinc/82/98/34/631829834.db2.gz XSHKTSJSVNBGIP-GMTAPVOTSA-N 1 0 211.309 1.021 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc(C)c(OC)c2)n1 ZINC000051850726 631964024 /nfs/dbraw/zinc/96/40/24/631964024.db2.gz BAEKQKZQTXFETL-UHFFFAOYSA-N 1 0 247.298 1.816 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\c1ccco1 ZINC000309313502 631990404 /nfs/dbraw/zinc/99/04/04/631990404.db2.gz OREKORDRKSPNOT-KGASVMDVSA-N 1 0 220.272 1.241 10 0 BDAERO CCn1cc[nH+]c1NCc1cc(C)on1 ZINC000050614287 632038368 /nfs/dbraw/zinc/03/83/68/632038368.db2.gz WUWHLYFBSZFEOQ-UHFFFAOYSA-N 1 0 206.249 1.812 10 0 BDAERO C[NH2+]CCc1noc(CCc2cccc(C)c2)n1 ZINC000051986479 632038829 /nfs/dbraw/zinc/03/88/29/632038829.db2.gz AVXUTUMURCYMCI-UHFFFAOYSA-N 1 0 245.326 1.925 10 0 BDAERO COc1ccccc1CC(=O)NCC1CC([NH3+])C1 ZINC000091526052 632052960 /nfs/dbraw/zinc/05/29/60/632052960.db2.gz KGUPBYNBZSMSJD-UHFFFAOYSA-N 1 0 248.326 1.091 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178787468 635702389 /nfs/dbraw/zinc/70/23/89/635702389.db2.gz XIZNWXMGJROVSY-JSGCOSHPSA-N 1 0 246.354 1.733 10 0 BDAERO Cn1ncc(C[NH2+][C@H]2CCC[C@@H]2CCF)n1 ZINC000309524401 632467813 /nfs/dbraw/zinc/46/78/13/632467813.db2.gz APEAEHMLNFZBQZ-KOLCDFICSA-N 1 0 226.299 1.433 10 0 BDAERO C/C=C\C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000228166881 632540251 /nfs/dbraw/zinc/54/02/51/632540251.db2.gz MWJGJEIFPVWZBE-JMEBYUIHSA-N 1 0 212.337 1.655 10 0 BDAERO COC[C@@H](C)[NH2+]Cc1ccnc(N(C)C)c1 ZINC000309628009 632591262 /nfs/dbraw/zinc/59/12/62/632591262.db2.gz HBCWYXAWJHQXBN-SNVBAGLBSA-N 1 0 223.320 1.272 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+]Cc1ccoc1)C2 ZINC000309632276 632593094 /nfs/dbraw/zinc/59/30/94/632593094.db2.gz RKZKIULHPUJWAG-LLVKDONJSA-N 1 0 217.272 1.581 10 0 BDAERO CCOC(=O)/C=C\C[N@@H+]1CCC[C@H]1CCCO ZINC000310023826 632694266 /nfs/dbraw/zinc/69/42/66/632694266.db2.gz POWXKBUQPKIKBM-LDJOOVGUSA-N 1 0 241.331 1.343 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCNC1=O)C1CCCCC1 ZINC000310020556 632694994 /nfs/dbraw/zinc/69/49/94/632694994.db2.gz NBQGZILPBLCFAD-NWDGAFQWSA-N 1 0 224.348 1.823 10 0 BDAERO COc1ccc2c(c1OC)[C@@H](C[NH3+])CC(=O)N2 ZINC000057954682 632775754 /nfs/dbraw/zinc/77/57/54/632775754.db2.gz LULZXKWXWSOBFJ-SSDOTTSWSA-N 1 0 236.271 1.088 10 0 BDAERO Cc1cccc(C)c1C(=O)NCC1CC([NH3+])C1 ZINC000235785241 632828874 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/nfs/dbraw/zinc/12/60/00/633126000.db2.gz DJVYZEUACWBFLU-UHFFFAOYSA-N 1 0 246.236 1.645 10 0 BDAERO CC[C@@H](C)c1noc([C@@]2(F)CC[NH2+]C2)n1 ZINC000309483370 633160919 /nfs/dbraw/zinc/16/09/19/633160919.db2.gz FJKARYVCUGDZJP-GMSGAONNSA-N 1 0 213.256 1.741 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000309588646 633208683 /nfs/dbraw/zinc/20/86/83/633208683.db2.gz TWNCTGPMZVICIX-BBBLOLIVSA-N 1 0 221.304 1.878 10 0 BDAERO Cc1ccc([C@H](O)C[NH2+]CC(C)(C)O)cc1 ZINC000309719159 633231550 /nfs/dbraw/zinc/23/15/50/633231550.db2.gz VGDOBLBZAWQCLA-GFCCVEGCSA-N 1 0 223.316 1.389 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[Si](C)(C)C ZINC000306923637 635978019 /nfs/dbraw/zinc/97/80/19/635978019.db2.gz GJNQBUREBGJHCY-DTWKUNHWSA-N 1 0 214.385 1.121 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000237549181 633749424 /nfs/dbraw/zinc/74/94/24/633749424.db2.gz OQXTXNPWBSBIGQ-OCCSQVGLSA-N 1 0 246.354 1.733 10 0 BDAERO Cc1cc(C[NH2+][C@@H](C)[C@H](C)O)cc(C)c1O ZINC000309972097 634004002 /nfs/dbraw/zinc/00/40/02/634004002.db2.gz QADVNJFMLUDHKS-QWRGUYRKSA-N 1 0 223.316 1.868 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000309977864 634012889 /nfs/dbraw/zinc/01/28/89/634012889.db2.gz UOUDXERZRSOONW-XSPKLOCKSA-N 1 0 241.253 1.455 10 0 BDAERO [NH3+][C@H](CC(F)F)CN1CCO[C@H]2CCCC[C@H]21 ZINC000310088870 634069931 /nfs/dbraw/zinc/06/99/31/634069931.db2.gz PQEJSKXJTGWQES-MXWKQRLJSA-N 1 0 248.317 1.612 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000233484889 635154955 /nfs/dbraw/zinc/15/49/55/635154955.db2.gz UGLJXJBALBJTKS-LBPRGKRZSA-N 1 0 226.364 1.487 10 0 BDAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3ccc(F)cn3)no2)C1 ZINC000094043846 635170582 /nfs/dbraw/zinc/17/05/82/635170582.db2.gz ZSVCKNHATOPPGK-APPZFPTMSA-N 1 0 248.261 1.866 10 0 BDAERO Cc1ccc(CN(C)C(=O)C2CC([NH3+])C2)cc1 ZINC000258797428 635200239 /nfs/dbraw/zinc/20/02/39/635200239.db2.gz VPDUYMHUMIJIBN-UHFFFAOYSA-N 1 0 232.327 1.691 10 0 BDAERO Cc1cccc(CCNC(=O)C2CC([NH3+])C2)c1 ZINC000258788810 635203837 /nfs/dbraw/zinc/20/38/37/635203837.db2.gz UNAJYIKKYISYLR-UHFFFAOYSA-N 1 0 232.327 1.391 10 0 BDAERO [NH3+]C1CC(C(=O)NCCc2ccc(F)cc2)C1 ZINC000258824225 635208727 /nfs/dbraw/zinc/20/87/27/635208727.db2.gz YKXXPHOSMRMWON-UHFFFAOYSA-N 1 0 236.290 1.222 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2ccc(Cl)nc2)C1 ZINC000062965451 635466918 /nfs/dbraw/zinc/46/69/18/635466918.db2.gz BYWZESWTMVAUMR-LLVKDONJSA-N 1 0 239.750 1.871 10 0 BDAERO C[C@@H](C[NH3+])c1noc(CCOc2ccccc2)n1 ZINC000054158551 635775339 /nfs/dbraw/zinc/77/53/39/635775339.db2.gz MRNUYGUYNACUOB-JTQLQIEISA-N 1 0 247.298 1.753 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000342187389 636328569 /nfs/dbraw/zinc/32/85/69/636328569.db2.gz FWEXSLHMNNEIIR-NXEZZACHSA-N 1 0 246.310 1.799 10 0 BDAERO Cn1ncnc1[C@@](C)([NH3+])c1ccccc1 ZINC000054498539 636743657 /nfs/dbraw/zinc/74/36/57/636743657.db2.gz BSXYLNIADPHEKA-NSHDSACASA-N 1 0 202.261 1.037 10 0 BDAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H](C)O)cc1 ZINC000348322388 639043821 /nfs/dbraw/zinc/04/38/21/639043821.db2.gz IXIJKHPEGVTBRG-QJPTWQEYSA-N 1 0 237.343 1.985 10 0 BDAERO NC1=[NH+]CC[C@H](c2ccc(F)cc2F)N1 ZINC000149745295 639109684 /nfs/dbraw/zinc/10/96/84/639109684.db2.gz WUJRLWRZCJZPHQ-SECBINFHSA-N 1 0 211.215 1.314 10 0 BDAERO Cn1nc(C2CC2)nc1C[C@H]1CCC[NH2+]C1 ZINC000054698083 640305304 /nfs/dbraw/zinc/30/53/04/640305304.db2.gz HYFSZZBTASLFSL-SECBINFHSA-N 1 0 220.320 1.235 10 0 BDAERO CCc1nc(CCC2CC[NH2+]CC2)n(C)n1 ZINC000054696824 640305886 /nfs/dbraw/zinc/30/58/86/640305886.db2.gz AMKUVPUCZPZKKT-UHFFFAOYSA-N 1 0 222.336 1.310 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(C2CCCC2)nn1C ZINC000054699264 640322177 /nfs/dbraw/zinc/32/21/77/640322177.db2.gz ZAQJTLPMVAKWBK-MRVPVSSYSA-N 1 0 208.309 1.362 10 0 BDAERO Cn1nc(-c2cccs2)nc1CC[NH3+] ZINC000054699848 640322274 /nfs/dbraw/zinc/32/22/74/640322274.db2.gz CYSMARZMJZGVOJ-UHFFFAOYSA-N 1 0 208.290 1.045 10 0 BDAERO C[C@@]1(C(=O)NCCC2CCC2)CCCC[NH2+]1 ZINC000163701081 640410812 /nfs/dbraw/zinc/41/08/12/640410812.db2.gz FHSFLVFPQKPFGK-ZDUSSCGKSA-N 1 0 224.348 1.825 10 0 BDAERO CCCOc1ccnc(NCCC[NH3+])n1 ZINC000166494953 640646913 /nfs/dbraw/zinc/64/69/13/640646913.db2.gz SDYHUQVLRCPGGG-UHFFFAOYSA-N 1 0 210.281 1.026 10 0 BDAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](O)CO)cc1 ZINC000078430101 640673845 /nfs/dbraw/zinc/67/38/45/640673845.db2.gz OJRCSDJBBXOKDU-FZMZJTMJSA-N 1 0 237.343 1.814 10 0 BDAERO Cc1nc(CC[C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000054499514 640705969 /nfs/dbraw/zinc/70/59/69/640705969.db2.gz NHAUXXUDZMRFMR-JTQLQIEISA-N 1 0 208.309 1.056 10 0 BDAERO Cc1cnc(-c2noc([C@H]3CC[C@@H]([NH3+])C3)n2)nc1 ZINC000167209511 640707392 /nfs/dbraw/zinc/70/73/92/640707392.db2.gz UPFAGOLEEZWBEJ-DTWKUNHWSA-N 1 0 245.286 1.430 10 0 BDAERO CC(C)[C@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698680 640711275 /nfs/dbraw/zinc/71/12/75/640711275.db2.gz RFDNCZZDRQYZPV-QMMMGPOBSA-N 1 0 210.325 1.768 10 0 BDAERO C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCS1 ZINC000226334733 640747741 /nfs/dbraw/zinc/74/77/41/640747741.db2.gz BAZTULFOFKZQEZ-HBNTYKKESA-N 1 0 242.388 1.468 10 0 BDAERO C[NH+]1CCC(C)(CNC(=O)n2ccnc2)CC1 ZINC000226362354 640751354 /nfs/dbraw/zinc/75/13/54/640751354.db2.gz ZLYVFGZIUHEVGR-UHFFFAOYSA-N 1 0 236.319 1.173 10 0 BDAERO CCN1CCC[C@H]1C[N@H+](C)CCCCCCO ZINC000226839364 640801559 /nfs/dbraw/zinc/80/15/59/640801559.db2.gz RDOBWLITDKXJHM-AWEZNQCLSA-N 1 0 242.407 1.955 10 0 BDAERO C[C@@H](C[NH3+])Nc1nccc2ccccc21 ZINC000168723427 640823108 /nfs/dbraw/zinc/82/31/08/640823108.db2.gz YMPBZRDBWUJYRM-VIFPVBQESA-N 1 0 201.273 1.994 10 0 BDAERO CC(C)OCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000158280744 640826747 /nfs/dbraw/zinc/82/67/47/640826747.db2.gz CAEFUMDLYWPJAX-JTQLQIEISA-N 1 0 239.319 1.537 10 0 BDAERO COc1cc(C)nc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000227643259 640842745 /nfs/dbraw/zinc/84/27/45/640842745.db2.gz FCLRRNKPAPMFPA-ZJUUUORDSA-N 1 0 236.319 1.333 10 0 BDAERO CSCC[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000228943876 640905979 /nfs/dbraw/zinc/90/59/79/640905979.db2.gz YRVVBCMJSSLIDI-WDEREUQCSA-N 1 0 244.404 1.634 10 0 BDAERO CC1(c2noc(C[C@H]3CCC[NH2+]C3)n2)CC1 ZINC000087548613 640922475 /nfs/dbraw/zinc/92/24/75/640922475.db2.gz MPKIKDQLHXXGHU-SECBINFHSA-N 1 0 221.304 1.663 10 0 BDAERO C(OC1C[NH2+]C1)[C@@H]1CCC2(CCCC2)O1 ZINC000229345935 640948944 /nfs/dbraw/zinc/94/89/44/640948944.db2.gz KMAKEWUNTWRGDP-JTQLQIEISA-N 1 0 211.305 1.467 10 0 BDAERO C[C@]1([NH2+]CCc2ccccc2)CCOC1 ZINC000229447365 640955703 /nfs/dbraw/zinc/95/57/03/640955703.db2.gz YAADYYXUTGSSLW-ZDUSSCGKSA-N 1 0 205.301 1.998 10 0 BDAERO CCOc1ccc2c(c1)C[C@H]([C@H](C)[NH3+])CO2 ZINC000675064405 640962203 /nfs/dbraw/zinc/96/22/03/640962203.db2.gz ZNHHQXNZIZFYNC-ONGXEEELSA-N 1 0 221.300 1.984 10 0 BDAERO COC(=O)[C@@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000171737075 641010231 /nfs/dbraw/zinc/01/02/31/641010231.db2.gz KTUKHTMYYSQHFP-SNVBAGLBSA-N 1 0 229.396 1.749 10 0 BDAERO CC(C)(C)n1ncc2c1ncnc2NCCC[NH3+] ZINC000062202064 641025968 /nfs/dbraw/zinc/02/59/68/641025968.db2.gz ZWYFLKJZSJWBJM-UHFFFAOYSA-N 1 0 248.334 1.342 10 0 BDAERO c1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2CCCO2)cc1 ZINC000062621982 641065483 /nfs/dbraw/zinc/06/54/83/641065483.db2.gz DVXVPBKOSUVBRJ-GJZGRUSLSA-N 1 0 246.354 1.812 10 0 BDAERO COC1CC([NH2+][C@H](C)c2nccs2)C1 ZINC000230672903 641078267 /nfs/dbraw/zinc/07/82/67/641078267.db2.gz KCCXSMCFAFHDFM-AFPNSQJFSA-N 1 0 212.318 1.971 10 0 BDAERO C[C@@]1(c2nc(Cc3ccncc3)no2)CC[NH2+]C1 ZINC000062919282 641111410 /nfs/dbraw/zinc/11/14/10/641111410.db2.gz VBBHEDVKLOMZFA-CYBMUJFWSA-N 1 0 244.298 1.306 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000062965469 641116561 /nfs/dbraw/zinc/11/65/61/641116561.db2.gz MBFPHUJIPHOXKL-LLVKDONJSA-N 1 0 239.750 1.871 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2cnc(Cl)cn2)C1 ZINC000231281064 641152439 /nfs/dbraw/zinc/15/24/39/641152439.db2.gz MMZJUMRBVTZRNL-SNVBAGLBSA-N 1 0 240.738 1.266 10 0 BDAERO C[C@H](O)C1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000232227179 641254278 /nfs/dbraw/zinc/25/42/78/641254278.db2.gz HMHAXRQODKYQSW-NSHDSACASA-N 1 0 242.363 1.125 10 0 BDAERO CCON(Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000675074287 641324638 /nfs/dbraw/zinc/32/46/38/641324638.db2.gz SOJFHZDFXSSPKD-ZDUSSCGKSA-N 1 0 220.316 1.802 10 0 BDAERO CSCC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158808564 641652546 /nfs/dbraw/zinc/65/25/46/641652546.db2.gz KVGYLBKKZYSFQI-HBNTYKKESA-N 1 0 244.404 1.619 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)C=C2CCC2)[C@@H](C)C1 ZINC000158969645 641659386 /nfs/dbraw/zinc/65/93/86/641659386.db2.gz FDQJAVOADMKLKK-AAEUAGOBSA-N 1 0 236.359 1.942 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc([C@H]2C[C@@H]2C)no1 ZINC000227505676 641732875 /nfs/dbraw/zinc/73/28/75/641732875.db2.gz HLBISXHTTHYZJF-XHNCKOQMSA-N 1 0 209.293 1.719 10 0 BDAERO O=C(C[C@H]1CC[NH2+]C1)N[C@H]1COc2ccccc21 ZINC000089748486 642111901 /nfs/dbraw/zinc/11/19/01/642111901.db2.gz JXHDWCNFBXYCKX-PWSUYJOCSA-N 1 0 246.310 1.236 10 0 BDAERO C[C@H](O)C[N@@H+]1CCN(C/C=C\Cl)C[C@H]1C ZINC000255277436 642331883 /nfs/dbraw/zinc/33/18/83/642331883.db2.gz AHGURURQEXMHEZ-CJOPTALJSA-N 1 0 232.755 1.126 10 0 BDAERO CCCCCCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000232959509 642638031 /nfs/dbraw/zinc/63/80/31/642638031.db2.gz NPFWLYOVGAGNFU-WDEREUQCSA-N 1 0 212.337 1.762 10 0 BDAERO CCOc1cc(NCCCCCC[NH3+])ncn1 ZINC000233788856 642695075 /nfs/dbraw/zinc/69/50/75/642695075.db2.gz PVUKWMMZUWKYHR-UHFFFAOYSA-N 1 0 238.335 1.806 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ccoc2)no1 ZINC000069947440 642944849 /nfs/dbraw/zinc/94/48/49/642944849.db2.gz ZDYKSVGSJFXWPN-SECBINFHSA-N 1 0 221.260 1.855 10 0 BDAERO CC[C@H](O)C[NH2+][C@H]1COc2ccccc21 ZINC000070068897 642965664 /nfs/dbraw/zinc/96/56/64/642965664.db2.gz BLAYPIJHBDEGQC-ONGXEEELSA-N 1 0 207.273 1.481 10 0 BDAERO [NH3+]CCCCCC(=O)N[C@@H]1COc2ccccc21 ZINC000070530475 643033409 /nfs/dbraw/zinc/03/34/09/643033409.db2.gz ZZYGXPREIVSMHI-GFCCVEGCSA-N 1 0 248.326 1.755 10 0 BDAERO O=C(C[NH2+]CCc1ccccc1)NC1CCCC1 ZINC000020050783 643051512 /nfs/dbraw/zinc/05/15/12/643051512.db2.gz XTQYJDWELQNINB-UHFFFAOYSA-N 1 0 246.354 1.878 10 0 BDAERO CCOC(=O)[C@H]([NH3+])CCn1cc(Cl)c(C)n1 ZINC000070704298 643063384 /nfs/dbraw/zinc/06/33/84/643063384.db2.gz MUJKTOKDHNGGKM-SECBINFHSA-N 1 0 245.710 1.125 10 0 BDAERO CCN(c1ccc(Cl)cn1)[C@H]1CC[NH2+]C1 ZINC000070901303 643082329 /nfs/dbraw/zinc/08/23/29/643082329.db2.gz DPPAPLSHYXLVMC-JTQLQIEISA-N 1 0 225.723 1.923 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000072265901 643233192 /nfs/dbraw/zinc/23/31/92/643233192.db2.gz ZMHVOVQAUQAVMY-VXGBXAGGSA-N 1 0 234.299 1.793 10 0 BDAERO CCC(=CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)CC ZINC000185043044 643259247 /nfs/dbraw/zinc/25/92/47/643259247.db2.gz KAYJTZWAHYOSFK-XQQFMLRXSA-N 1 0 236.359 1.929 10 0 BDAERO CCC1(C)CCN(S(=O)(=O)C[C@H](C)[NH3+])CC1 ZINC000757154084 643346249 /nfs/dbraw/zinc/34/62/49/643346249.db2.gz VPVVREMHUSITOC-JTQLQIEISA-N 1 0 248.392 1.176 10 0 BDAERO Cc1c([C@H](C)[NH3+])cnn1-c1ccc(O)cc1 ZINC000757171267 643354316 /nfs/dbraw/zinc/35/43/16/643354316.db2.gz QXANROFPKVCCMV-QMMMGPOBSA-N 1 0 217.272 1.906 10 0 BDAERO CC(C)(C)Cc1noc([C@@H]2CC[NH2+]C2)n1 ZINC000082673412 643365446 /nfs/dbraw/zinc/36/54/46/643365446.db2.gz ZPHAFOLYNQIHTG-MRVPVSSYSA-N 1 0 209.293 1.735 10 0 BDAERO CC[C@H]1CCCC[C@]1(C[NH3+])OCCO ZINC000234066767 643424542 /nfs/dbraw/zinc/42/45/42/643424542.db2.gz DEITVGQDQAQLQD-WDEREUQCSA-N 1 0 201.310 1.293 10 0 BDAERO COc1cc2c(c(OC)c1)[C@H]([NH3+])[C@H](C)O2 ZINC000068875185 643433803 /nfs/dbraw/zinc/43/38/03/643433803.db2.gz LPYMPWNCZSNXQP-UPONEAKYSA-N 1 0 209.245 1.485 10 0 BDAERO CCCC1CCC(C[NH3+])(OCCO)CC1 ZINC000083401817 643445615 /nfs/dbraw/zinc/44/56/15/643445615.db2.gz MGPJZPDISJVUNV-UHFFFAOYSA-N 1 0 215.337 1.683 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336754534 643460180 /nfs/dbraw/zinc/46/01/80/643460180.db2.gz IGYJSOYKKWGTKC-JGVFFNPUSA-N 1 0 226.345 1.879 10 0 BDAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cc(Cl)cn1 ZINC000082800516 643525875 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/nfs/dbraw/zinc/61/46/34/643614634.db2.gz GSOUWZCMRQIVMF-VIFPVBQESA-N 1 0 234.234 1.695 10 0 BDAERO CCC[C@H](N)c1nc([C@@H]2CCCOC2)no1 ZINC000083720202 643623010 /nfs/dbraw/zinc/62/30/10/643623010.db2.gz GCPCRWBSKCRGHG-BDAKNGLRSA-N 1 0 225.292 1.764 10 0 BDAERO C[NH2+]CCc1noc(-c2cncc(C)c2)n1 ZINC000083892720 643628570 /nfs/dbraw/zinc/62/85/70/643628570.db2.gz SHIHJCIBDYRLRP-UHFFFAOYSA-N 1 0 218.260 1.202 10 0 BDAERO CC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084301163 643657984 /nfs/dbraw/zinc/65/79/84/643657984.db2.gz RNHQUVBTRCPPRJ-AXFHLTTASA-N 1 0 212.337 1.666 10 0 BDAERO [NH3+][C@@H]1CC[C@H](c2nc(-c3ccoc3)no2)C1 ZINC000085007964 643677759 /nfs/dbraw/zinc/67/77/59/643677759.db2.gz INKBZQBTNOHUAM-IONNQARKSA-N 1 0 219.244 1.924 10 0 BDAERO CC[C@H]([NH2+]CCC[S@](C)=O)[C@@H]1C[C@H]1C ZINC000321913147 644180815 /nfs/dbraw/zinc/18/08/15/644180815.db2.gz PXEXRZIYIGWWSK-PUHVVEEASA-N 1 0 217.378 1.779 10 0 BDAERO C[C@@]1(C(=O)N[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000079521749 644186843 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/nfs/dbraw/zinc/73/23/52/644732352.db2.gz SVECAFJDVVZGMJ-UHFFFAOYSA-N 1 0 232.331 1.505 10 0 BDAERO CCCN(C[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000249981679 644744511 /nfs/dbraw/zinc/74/45/11/644744511.db2.gz MFMKAULXIJFOBV-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000250646228 644773686 /nfs/dbraw/zinc/77/36/86/644773686.db2.gz JZYXBJZBOQTROS-QJPTWQEYSA-N 1 0 211.305 1.572 10 0 BDAERO C[NH2+]CCc1noc(C(C2CC2)C2CC2)n1 ZINC000303676544 644834404 /nfs/dbraw/zinc/83/44/04/644834404.db2.gz WVLUZJWBTPISDK-UHFFFAOYSA-N 1 0 221.304 1.735 10 0 BDAERO C/C=C(/C)C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000096833413 644840373 /nfs/dbraw/zinc/84/03/73/644840373.db2.gz JGGXYSGOTQHFTC-MBNGJLNHSA-N 1 0 236.359 1.897 10 0 BDAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3ncccn3)no2)C1 ZINC000097067884 644868511 /nfs/dbraw/zinc/86/85/11/644868511.db2.gz OCWGQLGZODPELL-SFYZADRCSA-N 1 0 231.259 1.121 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)c1ccsc1 ZINC000304260146 644884408 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645910762 /nfs/dbraw/zinc/91/07/62/645910762.db2.gz DRZVPEVKYBECFT-GBVBUYCNSA-N 1 0 232.327 1.982 10 0 BDAERO Cc1cn(C)nc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000724001490 711553968 /nfs/dbraw/zinc/55/39/68/711553968.db2.gz VLHJXPCYLIVZAN-CMPLNLGQSA-N 1 0 223.320 1.074 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](Nc2cccc(F)n2)C1 ZINC000724090413 711560176 /nfs/dbraw/zinc/56/01/76/711560176.db2.gz RANVTZNWJSOKTF-RKDXNWHRSA-N 1 0 209.268 1.760 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2C[C@H](C)CO2)n1 ZINC000718425048 711657372 /nfs/dbraw/zinc/65/73/72/711657372.db2.gz FBICHUNWKFPKFL-RNJXMRFFSA-N 1 0 211.265 1.229 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)CCS1 ZINC000725619829 711667195 /nfs/dbraw/zinc/66/71/95/711667195.db2.gz QMBNMRABJUPEQW-BDAKNGLRSA-N 1 0 203.351 1.631 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2CCCC23CC3)n1 ZINC000706281824 712144220 /nfs/dbraw/zinc/14/42/20/712144220.db2.gz FVFGLUPCPJQXFX-VIFPVBQESA-N 1 0 221.304 1.879 10 0 BDAERO [NH3+]C1CC(C(=O)NC[C@H]2CCCC23CC3)C1 ZINC000707010666 712163599 /nfs/dbraw/zinc/16/35/99/712163599.db2.gz FVCQUOPKBPACLJ-HSOILSAZSA-N 1 0 222.332 1.420 10 0 BDAERO CCn1cncc1C[NH2+]C1CC(SC)C1 ZINC000708259573 712184667 /nfs/dbraw/zinc/18/46/67/712184667.db2.gz ZFCMJEMRXOYPKN-UHFFFAOYSA-N 1 0 225.361 1.887 10 0 BDAERO CSC1CC([NH2+]C[C@H](O)COC(C)C)C1 ZINC000708306988 712186621 /nfs/dbraw/zinc/18/66/21/712186621.db2.gz PXHMQZQCHLFINV-YVNMAJEFSA-N 1 0 233.377 1.256 10 0 BDAERO C[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1CO ZINC000708686189 712196971 /nfs/dbraw/zinc/19/69/71/712196971.db2.gz GKUKKCZKLXNSHG-SFYZADRCSA-N 1 0 224.131 1.866 10 0 BDAERO CC/C=C(/C)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708828102 712200256 /nfs/dbraw/zinc/20/02/56/712200256.db2.gz LHBUQRAVVLNUTF-ZUBHOKJJSA-N 1 0 210.321 1.396 10 0 BDAERO CC1(C)CO[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000710693215 712254785 /nfs/dbraw/zinc/25/47/85/712254785.db2.gz RDHSOZUIMIFZLV-IJLUTSLNSA-N 1 0 227.348 1.695 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC1(OC)OC ZINC000710956326 712267785 /nfs/dbraw/zinc/26/77/85/712267785.db2.gz FGHYWFJYAYQWLS-MXWKQRLJSA-N 1 0 213.321 1.916 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCC2(OC)OC)C1 ZINC000710954691 712267836 /nfs/dbraw/zinc/26/78/36/712267836.db2.gz BCLCMKMDEOSZOH-VXGBXAGGSA-N 1 0 242.363 1.212 10 0 BDAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711020420 712275116 /nfs/dbraw/zinc/27/51/16/712275116.db2.gz FDTWUFRRXASLFH-CDECOKDKSA-N 1 0 240.347 1.140 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000712085905 712340271 /nfs/dbraw/zinc/34/02/71/712340271.db2.gz UEWLJMIXOZLLSG-NUGNTBJXSA-N 1 0 222.332 1.371 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(N)=O ZINC000229809527 712354889 /nfs/dbraw/zinc/35/48/89/712354889.db2.gz CHQFJMYCSHSIGH-LLVKDONJSA-N 1 0 242.269 1.564 10 0 BDAERO OC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000378699956 712358295 /nfs/dbraw/zinc/35/82/95/712358295.db2.gz MUPRKSGDWKAOCI-RDBSUJKOSA-N 1 0 241.375 1.632 10 0 BDAERO Cn1ncc(C[NH2+]C[C@H](O)C(C)(C)C)c1Cl ZINC000378861016 712364030 /nfs/dbraw/zinc/36/40/30/712364030.db2.gz QCHUVCZENFQTKH-VIFPVBQESA-N 1 0 245.754 1.570 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](C(=O)NCC2CCCCC2)CO1 ZINC000713928895 712381219 /nfs/dbraw/zinc/38/12/19/712381219.db2.gz NVOURINIZGZQPN-NEPJUHHUSA-N 1 0 240.347 1.047 10 0 BDAERO COCC(COC)[NH2+]C1(C(C)C)CC1 ZINC000379462631 712384718 /nfs/dbraw/zinc/38/47/18/712384718.db2.gz GLZXCSKEENNWCS-UHFFFAOYSA-N 1 0 201.310 1.426 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000713608415 712466835 /nfs/dbraw/zinc/46/68/35/712466835.db2.gz YPLUADZVWPZHBH-JTQLQIEISA-N 1 0 215.337 1.552 10 0 BDAERO CC[C@]1(C(=O)NC2CC(COC)C2)CCC[NH2+]1 ZINC000713947186 712474806 /nfs/dbraw/zinc/47/48/06/712474806.db2.gz WDDVLFMYJCPKDJ-GCZXYKMCSA-N 1 0 240.347 1.060 10 0 BDAERO COCC1CC([NH2+]Cc2ccn(C)c2)C1 ZINC000713994461 712476681 /nfs/dbraw/zinc/47/66/81/712476681.db2.gz AYJAVCSRQVAHKU-UHFFFAOYSA-N 1 0 208.305 1.540 10 0 BDAERO COCC1CC([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000714007066 712476800 /nfs/dbraw/zinc/47/68/00/712476800.db2.gz LLFOSFTVJXOGIS-RUXDESIVSA-N 1 0 241.375 1.942 10 0 BDAERO CCCc1nccnc1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715146609 712512336 /nfs/dbraw/zinc/51/23/36/712512336.db2.gz OGOOGSPDLXBMOQ-MGCOHNPYSA-N 1 0 220.320 1.578 10 0 BDAERO COc1ncc(Cl)c(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715153635 712512998 /nfs/dbraw/zinc/51/29/98/712512998.db2.gz YBFGIVKFXCGRAA-KNVOCYPGSA-N 1 0 242.710 1.288 10 0 BDAERO CCc1nsc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715113732 712510069 /nfs/dbraw/zinc/51/00/69/712510069.db2.gz JWUSZCSNXOMPLO-KNVOCYPGSA-N 1 0 212.322 1.250 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716296520 712553847 /nfs/dbraw/zinc/55/38/47/712553847.db2.gz XDRHTOQMMKUZPJ-NSHDSACASA-N 1 0 227.348 1.696 10 0 BDAERO CC(C)CCCC[NH2+]C1CC(C(N)=O)C1 ZINC000716741564 712571890 /nfs/dbraw/zinc/57/18/90/712571890.db2.gz SAEMEBDEWFWPFS-UHFFFAOYSA-N 1 0 212.337 1.666 10 0 BDAERO CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716760122 712572578 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/nfs/dbraw/zinc/59/55/85/710595585.db2.gz ABYSNBWCYRQKIS-AWEZNQCLSA-N 1 0 219.328 1.980 10 0 BDAERO CC1(C)C[NH2+]C[C@@H]1Nc1ccncc1Cl ZINC000721923655 710692629 /nfs/dbraw/zinc/69/26/29/710692629.db2.gz AYDDVWJIENODOC-JTQLQIEISA-N 1 0 225.723 1.567 10 0 BDAERO CCCNC(=[NH2+])NCC1C[C@@H](C)O[C@H](C)C1 ZINC000724459916 710740582 /nfs/dbraw/zinc/74/05/82/710740582.db2.gz DUUPYSMGIHOGGU-NXEZZACHSA-N 1 0 227.352 1.714 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)C[C@@H]1C ZINC000722904854 711492360 /nfs/dbraw/zinc/49/23/60/711492360.db2.gz KYHXMIFCBCNRJZ-VPOLOUISSA-N 1 0 211.305 1.383 10 0 BDAERO [NH3+]CC12CCC(CC1)N2c1ncc(F)cn1 ZINC000722987838 711494111 /nfs/dbraw/zinc/49/41/11/711494111.db2.gz VVPSDIABBYIBKL-UHFFFAOYSA-N 1 0 222.267 1.076 10 0 BDAERO Cc1coc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000723589746 711521676 /nfs/dbraw/zinc/52/16/76/711521676.db2.gz MBXIERMGXRLATK-JTQLQIEISA-N 1 0 222.288 1.156 10 0 BDAERO COC[C@H](C)[NH2+]Cc1cc(C)cc(C)n1 ZINC000723606780 711525064 /nfs/dbraw/zinc/52/50/64/711525064.db2.gz CWHRDVADYLAVRR-NSHDSACASA-N 1 0 208.305 1.823 10 0 BDAERO Cc1noc2ncnc(N3CC[C@@H](CC[NH3+])C3)c12 ZINC000723671999 711533223 /nfs/dbraw/zinc/53/32/23/711533223.db2.gz IHYVVNRGIYLQMG-SECBINFHSA-N 1 0 247.302 1.101 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ccnc2ncccc12 ZINC000723780500 711537022 /nfs/dbraw/zinc/53/70/22/711537022.db2.gz ACVGIBMQEIDDEY-MNOVXSKESA-N 1 0 242.326 1.897 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000724194080 711568432 /nfs/dbraw/zinc/56/84/32/711568432.db2.gz PSXJRTYWGLUQLI-DCAQKATOSA-N 1 0 201.310 1.257 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=S)NC2CC2)C1 ZINC000136152102 711688004 /nfs/dbraw/zinc/68/80/04/711688004.db2.gz AHEPKDBMZZTDNW-JTQLQIEISA-N 1 0 227.377 1.097 10 0 BDAERO CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]2CO)C[C@@H]1OC ZINC000310003225 711702189 /nfs/dbraw/zinc/70/21/89/711702189.db2.gz FNVGJCSIVUNRHD-QCNOEVLYSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@@H](C[NH3+])c1noc(-c2ccc3c(c2)CCO3)n1 ZINC000054158497 711766219 /nfs/dbraw/zinc/76/62/19/711766219.db2.gz KZMDRKSURCBDGD-QMMMGPOBSA-N 1 0 245.282 1.734 10 0 BDAERO c1csc([C@@H]2CCNc3[nH+]ccn32)n1 ZINC000232463696 711776944 /nfs/dbraw/zinc/77/69/44/711776944.db2.gz MPMMQMQLBIJSCI-ZETCQYMHSA-N 1 0 206.274 1.745 10 0 BDAERO CC1(C)C[NH2+]C[C@H]1Nc1ncnc2c1CCC2 ZINC000721863097 711791903 /nfs/dbraw/zinc/79/19/03/711791903.db2.gz HVOBXRPYYTVKCX-LLVKDONJSA-N 1 0 232.331 1.375 10 0 BDAERO CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000721262516 711804027 /nfs/dbraw/zinc/80/40/27/711804027.db2.gz QHGKDSHJFFCPFI-QNWHQSFQSA-N 1 0 243.347 1.074 10 0 BDAERO C[C@@H]([NH2+]Cc1cn(C)nc1C(C)(C)C)[C@H](C)O ZINC000349335325 711825637 /nfs/dbraw/zinc/82/56/37/711825637.db2.gz UPVCSNYVCIPZQX-ZJUUUORDSA-N 1 0 239.363 1.577 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1C ZINC000227824025 711833122 /nfs/dbraw/zinc/83/31/22/711833122.db2.gz UCFIEMDXTNNKPZ-SDDRHHMPSA-N 1 0 241.331 1.296 10 0 BDAERO C[S@](=O)CC[NH2+]CCc1ccccc1 ZINC000229104975 711837697 /nfs/dbraw/zinc/83/76/97/711837697.db2.gz UTMJTGOCMQZLLZ-AWEZNQCLSA-N 1 0 211.330 1.197 10 0 BDAERO CC1(C)C[NH2+]C[C@H]1Nc1ccnc2cccnc21 ZINC000721971026 711853802 /nfs/dbraw/zinc/85/38/02/711853802.db2.gz GRNGTUWNNUZKIE-GFCCVEGCSA-N 1 0 242.326 1.462 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1CSCCS1 ZINC000229598112 711865453 /nfs/dbraw/zinc/86/54/53/711865453.db2.gz ZRXAPRAZVLCWKS-MRVPVSSYSA-N 1 0 221.391 1.196 10 0 BDAERO C[NH+](C)C1CCN(C(=O)N2CCCCC2)CC1 ZINC000131546419 711928066 /nfs/dbraw/zinc/92/80/66/711928066.db2.gz PKCBHGAMZPDYTA-UHFFFAOYSA-N 1 0 239.363 1.618 10 0 BDAERO COC[C@@H](C[NH2+]CC1(O)CCOCC1)C(C)C ZINC000721949978 711947462 /nfs/dbraw/zinc/94/74/62/711947462.db2.gz MCAKUJGDWBLQGG-GFCCVEGCSA-N 1 0 245.363 1.036 10 0 BDAERO [NH3+]Cc1nc(-c2nc([C@@H]3CC34CC4)no2)cs1 ZINC000700442884 711993702 /nfs/dbraw/zinc/99/37/02/711993702.db2.gz MRLHNSQQSKPTAZ-LURJTMIESA-N 1 0 248.311 1.919 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000700480223 711994810 /nfs/dbraw/zinc/99/48/10/711994810.db2.gz NYBBGYGQUHSAMA-OUAUKWLOSA-N 1 0 233.315 1.769 10 0 BDAERO Cc1cc(=O)[nH]c(C[NH2+][C@H](C)[C@@H]2CCOC2)n1 ZINC000700462767 711995823 /nfs/dbraw/zinc/99/58/23/711995823.db2.gz QLSNGAZNXMRNGQ-NXEZZACHSA-N 1 0 237.303 1.005 10 0 BDAERO C(c1nc([C@H]2CC23CC3)no1)C1CC[NH2+]CC1 ZINC000700539231 711996519 /nfs/dbraw/zinc/99/65/19/711996519.db2.gz FMDJCANVYAHTEL-SNVBAGLBSA-N 1 0 233.315 1.879 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)/C=C\c1cccc(F)c1 ZINC000700537989 711996862 /nfs/dbraw/zinc/99/68/62/711996862.db2.gz OSBPUFWTWIOYTG-JYESYGNLSA-N 1 0 236.290 1.563 10 0 BDAERO C[NH2+]CCc1noc([C@@H](C)Oc2ccccc2)n1 ZINC000700677632 712001982 /nfs/dbraw/zinc/00/19/82/712001982.db2.gz RCFRSIPRUUQGQV-SNVBAGLBSA-N 1 0 247.298 1.972 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Cl)nc1 ZINC000700612829 712002118 /nfs/dbraw/zinc/00/21/18/712002118.db2.gz XRNPIQNOGKASCL-IONNQARKSA-N 1 0 239.706 1.297 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2ccccc2F)C[C@@H]1[NH3+] ZINC000700751070 712004535 /nfs/dbraw/zinc/00/45/35/712004535.db2.gz AGSMRFHOAZJGHR-KMZNDYGISA-N 1 0 248.301 1.645 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1ccccc1F ZINC000700750822 712004561 /nfs/dbraw/zinc/00/45/61/712004561.db2.gz XWEVFYFFSXXOMH-JYESYGNLSA-N 1 0 236.290 1.692 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(CO)cc1 ZINC000700769573 712005906 /nfs/dbraw/zinc/00/59/06/712005906.db2.gz SBTXZVOWMIKGQA-ZDUSSCGKSA-N 1 0 248.326 1.132 10 0 BDAERO CO[C@H](c1nc([C@@H](C)C[NH3+])no1)C1CCC1 ZINC000701373665 712021614 /nfs/dbraw/zinc/02/16/14/712021614.db2.gz UOOSMTSFHFOYOS-CBAPKCEASA-N 1 0 225.292 1.619 10 0 BDAERO CO[C@@H](c1nc([C@@H](C)C[NH3+])no1)C1CCC1 ZINC000701373668 712021663 /nfs/dbraw/zinc/02/16/63/712021663.db2.gz UOOSMTSFHFOYOS-IONNQARKSA-N 1 0 225.292 1.619 10 0 BDAERO c1cc(-c2noc([C@@]34CCC[C@@H]3C[NH2+]C4)n2)co1 ZINC000701691499 712028147 /nfs/dbraw/zinc/02/81/47/712028147.db2.gz CXTVHYGGIFYKMB-ZWNOBZJWSA-N 1 0 245.282 1.971 10 0 BDAERO c1cnnc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000701793483 712029365 /nfs/dbraw/zinc/02/93/65/712029365.db2.gz YSKRPVDAVLXJPV-VIFPVBQESA-N 1 0 245.286 1.069 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](Cc2ccncc2C)C[C@@H]1C ZINC000705346295 712129318 /nfs/dbraw/zinc/12/93/18/712129318.db2.gz LSDSCPDPGIGLAQ-WCQYABFASA-N 1 0 248.326 1.631 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000706713585 712152450 /nfs/dbraw/zinc/15/24/50/712152450.db2.gz VFIUUZLIOXWJHZ-ZJUUUORDSA-N 1 0 247.747 1.641 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000706718098 712152695 /nfs/dbraw/zinc/15/26/95/712152695.db2.gz OMSAVHZMFLOVGS-STQMWFEESA-N 1 0 227.348 1.839 10 0 BDAERO CC(C)CCCC[NH2+][C@H]1CCOC[C@@H]1O ZINC000706789825 712155458 /nfs/dbraw/zinc/15/54/58/712155458.db2.gz PIXFJKRCRSGYQA-RYUDHWBXSA-N 1 0 215.337 1.552 10 0 BDAERO CSC1CC([NH2+]Cc2c(C)cnn2C)C1 ZINC000706864820 712157270 /nfs/dbraw/zinc/15/72/70/712157270.db2.gz GJFXVEYVTUBDBU-UHFFFAOYSA-N 1 0 225.361 1.712 10 0 BDAERO CCOC(=O)/C=C/C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000706914787 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ZINC000708874098 712201703 /nfs/dbraw/zinc/20/17/03/712201703.db2.gz CQRDVBPAGNVFIW-MNOVXSKESA-N 1 0 237.347 1.825 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2ccccc2)C[C@@H]1C[NH3+] ZINC000708868386 712201839 /nfs/dbraw/zinc/20/18/39/712201839.db2.gz OVNJEHZTRVLTMK-QJPJPVNKSA-N 1 0 244.338 1.753 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@]12C[C@H]1CCCC2 ZINC000709109175 712209374 /nfs/dbraw/zinc/20/93/74/712209374.db2.gz GYWWXKAHGOGGJP-SFTQSGBHSA-N 1 0 236.359 1.681 10 0 BDAERO C[C@@H]1C[N@H+](Cc2cccc(N)c2)C[C@H]1CO ZINC000709356923 712220200 /nfs/dbraw/zinc/22/02/00/712220200.db2.gz KCIPEBPDQCUELK-PWSUYJOCSA-N 1 0 220.316 1.329 10 0 BDAERO O=C(CCC1C[NH2+]C1)N[C@H]1COc2ccccc21 ZINC000709401384 712220833 /nfs/dbraw/zinc/22/08/33/712220833.db2.gz OPOUBKWSVFJGNX-LBPRGKRZSA-N 1 0 246.310 1.236 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000709622015 712225739 /nfs/dbraw/zinc/22/57/39/712225739.db2.gz NUMAYXVNDBLQMV-VXNVDRBHSA-N 1 0 238.253 1.395 10 0 BDAERO 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712542053 /nfs/dbraw/zinc/54/20/53/712542053.db2.gz YNZSIFDTNXAOFQ-UWVGGRQHSA-N 1 0 224.308 1.035 10 0 BDAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1cn(C)nn1 ZINC000715919502 712542297 /nfs/dbraw/zinc/54/22/97/712542297.db2.gz HASHDKNTELZJQX-UTLUCORTSA-N 1 0 240.376 1.750 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)[C@@H]1CCCCO1 ZINC000715920828 712542709 /nfs/dbraw/zinc/54/27/09/712542709.db2.gz JMEYXGLQCTWWBM-UMNHJUIQSA-N 1 0 238.335 1.423 10 0 BDAERO NC(=O)C1CCC([NH2+]CCc2ccccc2)CC1 ZINC000037152270 712547619 /nfs/dbraw/zinc/54/76/19/712547619.db2.gz DBLHIIHXPZAEFZ-UHFFFAOYSA-N 1 0 246.354 1.863 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716035354 712547834 /nfs/dbraw/zinc/54/78/34/712547834.db2.gz AAPWXUYRHYQRMN-OFLUOSHYSA-N 1 0 242.388 1.385 10 0 BDAERO CS(=O)(=O)C1CC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000716088542 712550015 /nfs/dbraw/zinc/55/00/15/712550015.db2.gz LLCUFPBNLLVWSP-NPDAHYRHSA-N 1 0 243.372 1.340 10 0 BDAERO CC(C)(O)C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716296518 712553603 /nfs/dbraw/zinc/55/36/03/712553603.db2.gz XDRHTOQMMKUZPJ-LLVKDONJSA-N 1 0 227.348 1.696 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1[NH3+] ZINC000716295886 712553757 /nfs/dbraw/zinc/55/37/57/712553757.db2.gz SLRNDOHPFULNNP-AGIUHOORSA-N 1 0 238.375 1.615 10 0 BDAERO CN1CCC[C@H]1C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716390445 712558201 /nfs/dbraw/zinc/55/82/01/712558201.db2.gz AWFPRZWMGVZNFG-ZDUSSCGKSA-N 1 0 240.391 1.564 10 0 BDAERO C[C@@H]1C[C@H]1[C@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000716492101 712566003 /nfs/dbraw/zinc/56/60/03/712566003.db2.gz XPUODCJBKYNCHU-OJEZURLMSA-N 1 0 236.359 1.332 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cncc(F)c1 ZINC000716681113 712569790 /nfs/dbraw/zinc/56/97/90/712569790.db2.gz YJLAPSZOJQMQAS-JYPKXMCJSA-N 1 0 237.278 1.135 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(C(N)=O)C1 ZINC000716684519 712569841 /nfs/dbraw/zinc/56/98/41/712569841.db2.gz OHNXUGMTMRYZLX-QYNFOATHSA-N 1 0 224.348 1.666 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000716723186 712571344 /nfs/dbraw/zinc/57/13/44/712571344.db2.gz MWHHSCTYFSEKHN-HTAVTVPLSA-N 1 0 245.326 1.313 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C2CC(C(N)=O)C2)C[C@H]1C ZINC000716759047 712572504 /nfs/dbraw/zinc/57/25/04/712572504.db2.gz DTMZEARFSFQHLO-HBUVQDDESA-N 1 0 224.348 1.665 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716754666 712572549 /nfs/dbraw/zinc/57/25/49/712572549.db2.gz JHTRVYVCAKORHC-GCVQQVDUSA-N 1 0 218.300 1.601 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716774135 712573119 /nfs/dbraw/zinc/57/31/19/712573119.db2.gz CPVSXRFHSOIONE-UNXYVOJBSA-N 1 0 232.327 1.910 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1F ZINC000716782579 712573322 /nfs/dbraw/zinc/57/33/22/712573322.db2.gz FESYLNYUQDXHAL-XNWIYYODSA-N 1 0 236.290 1.740 10 0 BDAERO Cc1ccc(F)c(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716782646 712573364 /nfs/dbraw/zinc/57/33/64/712573364.db2.gz HLBXDPQJGXUZHU-UHFFFAOYSA-N 1 0 236.290 1.488 10 0 BDAERO COc1cccc(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716783730 712573579 /nfs/dbraw/zinc/57/35/79/712573579.db2.gz YUNVRIGYAYSTSI-UHFFFAOYSA-N 1 0 234.299 1.049 10 0 BDAERO C[C@H]1CN(c2nccc3cccnc32)C[C@H]1C[NH3+] ZINC000716899718 712581388 /nfs/dbraw/zinc/58/13/88/712581388.db2.gz LYTDEXRTLQDSKR-CMPLNLGQSA-N 1 0 242.326 1.661 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nccc2cccnc21 ZINC000716922882 712596076 /nfs/dbraw/zinc/59/60/76/712596076.db2.gz SDSMDVCEKOIEHU-VIFPVBQESA-N 1 0 216.288 1.650 10 0 BDAERO [NH3+]CC[C@@H]1CCN(c2nccc3cccnc32)C1 ZINC000716932174 712596977 /nfs/dbraw/zinc/59/69/77/712596977.db2.gz KURBAYDLJRAENP-LLVKDONJSA-N 1 0 242.326 1.805 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@H](C)O ZINC000379944451 712634814 /nfs/dbraw/zinc/63/48/14/712634814.db2.gz QDXCBUNIJGKOFD-XPUUQOCRSA-N 1 0 231.727 1.241 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)O)cc1C ZINC000717384769 712652973 /nfs/dbraw/zinc/65/29/73/712652973.db2.gz FIIIYWZAMMYAGV-OUCADQQQSA-N 1 0 237.343 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HDNQILBBGYWLJC-OPRDCNLKSA-N 1 0 219.350 1.185 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000685953473 538897942 /nfs/dbraw/zinc/89/79/42/538897942.db2.gz HLUZRBWQYYLRQX-GMTAPVOTSA-N 1 0 233.377 1.573 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C(C)C)C[C@@H]1C[NH3+] ZINC000685953914 538898371 /nfs/dbraw/zinc/89/83/71/538898371.db2.gz JNFYFMRURJNULB-QJPTWQEYSA-N 1 0 247.404 1.821 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)CC)C[C@H]1C ZINC000685954508 538899382 /nfs/dbraw/zinc/89/93/82/538899382.db2.gz NQYBBZZTRYQLHX-GMTAPVOTSA-N 1 0 233.377 1.588 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@@H]1[NH3+] ZINC000685955112 538900052 /nfs/dbraw/zinc/90/00/52/538900052.db2.gz TZEXHALHDNKGOX-GRYCIOLGSA-N 1 0 247.404 1.963 10 0 BDAERO CNCC(F)(F)CN1C[C@H](C)[C@@H](C)C1 ZINC000685956484 538902905 /nfs/dbraw/zinc/90/29/05/538902905.db2.gz BXLWQOQTIIRVLP-IUCAKERBSA-N 1 0 206.280 1.429 10 0 BDAERO CCC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685961754 538908384 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398204260 /nfs/dbraw/zinc/20/42/60/398204260.db2.gz YYTCCZFITYEGCM-MNOVXSKESA-N 1 0 223.320 1.728 10 0 BDAERO COc1cc(NC2=[NH+]CCN2)ccc1F ZINC000162919823 538925644 /nfs/dbraw/zinc/92/56/44/538925644.db2.gz QXVIXXWRQHMPJO-UHFFFAOYSA-N 1 0 209.224 1.205 10 0 BDAERO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN1C ZINC000386364428 398206391 /nfs/dbraw/zinc/20/63/91/398206391.db2.gz WYTORFWYATUXLL-MJBXVCDLSA-N 1 0 240.391 1.706 10 0 BDAERO C[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)[C@H]1C ZINC000380812364 398208807 /nfs/dbraw/zinc/20/88/07/398208807.db2.gz SZRORXYQQBGLGS-JYBOHDQNSA-N 1 0 224.348 1.761 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@H](CO)C1CCCCC1 ZINC000386684748 398216473 /nfs/dbraw/zinc/21/64/73/398216473.db2.gz YBRRUDJNTWZLST-UONOGXRCSA-N 1 0 240.391 1.611 10 0 BDAERO Cc1cc(NCC[NH+]2CCCC2)nc(Cl)n1 ZINC000054109626 178161959 /nfs/dbraw/zinc/16/19/59/178161959.db2.gz LDONFJJAVQAVKR-UHFFFAOYSA-N 1 0 240.738 1.946 10 0 BDAERO C[C@H]([NH3+])c1cncn1[C@@H]1CSC[C@@H]1C ZINC000306578994 398213101 /nfs/dbraw/zinc/21/31/01/398213101.db2.gz MOUXXKZOTCKZMB-OYNCUSHFSA-N 1 0 211.334 1.827 10 0 BDAERO Cc1cc(NN)[nH+]c(Nc2ccccc2)n1 ZINC000057331443 178177527 /nfs/dbraw/zinc/17/75/27/178177527.db2.gz FABVLJSFMWCWRR-UHFFFAOYSA-N 1 0 215.260 1.236 10 0 BDAERO Cc1cc2ncnn2c(N[C@H](C)CC[NH+](C)C)c1 ZINC000049558636 178186381 /nfs/dbraw/zinc/18/63/81/178186381.db2.gz DZGWNQGMJYWRTR-LLVKDONJSA-N 1 0 247.346 1.790 10 0 BDAERO CC[C@](C[NH3+])(C(=O)OC)c1ccccc1 ZINC000075614545 398224010 /nfs/dbraw/zinc/22/40/10/398224010.db2.gz LBFXXUAFPNZGHQ-GFCCVEGCSA-N 1 0 207.273 1.466 10 0 BDAERO CCC[C@H](C(=O)N(C)C[C@@H]1CCCO1)[NH+](C)C ZINC000161947364 349520031 /nfs/dbraw/zinc/52/00/31/349520031.db2.gz QGRPRGYATNCODX-NWDGAFQWSA-N 1 0 242.363 1.354 10 0 BDAERO Cc1cc(OC2CCC([NH3+])CC2)n2ncnc2n1 ZINC000055143594 178207767 /nfs/dbraw/zinc/20/77/67/178207767.db2.gz NXRKKUCZMIOYEQ-UHFFFAOYSA-N 1 0 247.302 1.081 10 0 BDAERO Cc1cc(OC[C@H]([NH3+])C(C)C)cc(=O)o1 ZINC000169726478 178212052 /nfs/dbraw/zinc/21/20/52/178212052.db2.gz CEJMSCOVYVQMTO-JTQLQIEISA-N 1 0 211.261 1.310 10 0 BDAERO Cc1cc(SC2CC[NH2+]CC2)n(C)n1 ZINC000052311679 178218187 /nfs/dbraw/zinc/21/81/87/178218187.db2.gz WEKLFMRDWNADOC-UHFFFAOYSA-N 1 0 211.334 1.573 10 0 BDAERO C[C@H]1C[NH2+]CCN(Cc2nccs2)C1 ZINC000306642535 361772082 /nfs/dbraw/zinc/77/20/82/361772082.db2.gz TZUKCMCSABNHLP-VIFPVBQESA-N 1 0 211.334 1.184 10 0 BDAERO CCC[C@@H](C(=O)NC[C@@H]1CCCOC1)[NH+](C)C ZINC000179571787 259304464 /nfs/dbraw/zinc/30/44/64/259304464.db2.gz IPYVFMCXRWQUNY-RYUDHWBXSA-N 1 0 242.363 1.260 10 0 BDAERO Cc1cc([C@@H]([NH3+])Cn2ccnc2)cs1 ZINC000306642893 361774530 /nfs/dbraw/zinc/77/45/30/361774530.db2.gz VEGRTMDTOLAUGB-JTQLQIEISA-N 1 0 207.302 1.953 10 0 BDAERO C[C@](O)(C[C@@H]1CCC[NH2+]1)c1ccsn1 ZINC000306643444 361781232 /nfs/dbraw/zinc/78/12/32/361781232.db2.gz WRHNHVGOYFWLIN-WPRPVWTQSA-N 1 0 212.318 1.493 10 0 BDAERO Cc1cc([C@@H]([NH3+])[C@@H]2COCCO2)c(C)s1 ZINC000055298961 178237126 /nfs/dbraw/zinc/23/71/26/178237126.db2.gz LYHPVXIMYZSIGH-WDEREUQCSA-N 1 0 227.329 1.780 10 0 BDAERO Cc1cc([C@@H](O)[C@H](C)[NH3+])c2ccccc2n1 ZINC000083300111 178240013 /nfs/dbraw/zinc/24/00/13/178240013.db2.gz WRSCWSLBULGBKC-ZANVPECISA-N 1 0 216.284 1.924 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)nn1C ZINC000282057622 178254947 /nfs/dbraw/zinc/25/49/47/178254947.db2.gz GPXOBIRLKNCRRL-GARJFASQSA-N 1 0 223.320 1.557 10 0 BDAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C1CC1 ZINC000165549769 136227257 /nfs/dbraw/zinc/22/72/57/136227257.db2.gz IQTSDHCODBIZOL-GZMMTYOYSA-N 1 0 220.320 1.810 10 0 BDAERO Cc1cc([C@H](N)C[NH3+])ccc1Br ZINC000072201219 178262911 /nfs/dbraw/zinc/26/29/11/178262911.db2.gz LIAPTMOWUWQWNN-SECBINFHSA-N 1 0 229.121 1.716 10 0 BDAERO Cc1cc([C@H]([NH2+]CC2CC2)C(N)=O)c(C)s1 ZINC000049687618 178263253 /nfs/dbraw/zinc/26/32/53/178263253.db2.gz NIDCFMJSVHDEFH-NSHDSACASA-N 1 0 238.356 1.891 10 0 BDAERO Cc1cc([C@H](O)C[NH3+])ccc1Br ZINC000082541925 178264763 /nfs/dbraw/zinc/26/47/63/178264763.db2.gz ZNTDAZZTVVKZAD-SECBINFHSA-N 1 0 230.105 1.750 10 0 BDAERO CCC(CC)C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000122373273 168361825 /nfs/dbraw/zinc/36/18/25/168361825.db2.gz DXNQJHZRZOKLBR-AWEZNQCLSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1cc2c(ncn(CCC[NH3+])c2=O)s1 ZINC000032541267 178278582 /nfs/dbraw/zinc/27/85/82/178278582.db2.gz UFHLSHLDFWRXGN-UHFFFAOYSA-N 1 0 223.301 1.115 10 0 BDAERO CCOc1nccnc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000576494249 365610734 /nfs/dbraw/zinc/61/07/34/365610734.db2.gz ZIPVCKNSLLZQJL-QWRGUYRKSA-N 1 0 248.330 1.064 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)CC[C@@H]2[NH3+] ZINC000034975118 178286546 /nfs/dbraw/zinc/28/65/46/178286546.db2.gz IJAXIBCUJNGHDV-JTQLQIEISA-N 1 0 225.313 1.481 10 0 BDAERO CC(F)(F)CCC[NH2+]CC1(O)CCOCC1 ZINC000576578295 365624559 /nfs/dbraw/zinc/62/45/59/365624559.db2.gz KEKISOOEQLVNQI-UHFFFAOYSA-N 1 0 237.290 1.553 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1[C@H](C)CC[C@H]1C ZINC000381297290 398250341 /nfs/dbraw/zinc/25/03/41/398250341.db2.gz GYNHLJUPORATHQ-GMTAPVOTSA-N 1 0 212.337 1.759 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCC(F)(F)F ZINC000306864582 259310427 /nfs/dbraw/zinc/31/04/27/259310427.db2.gz LMECATIUYPKMMS-YUMQZZPRSA-N 1 0 211.227 1.784 10 0 BDAERO CCC(CC)N(C)C(=O)N1CC[NH2+]CC1 ZINC000036788869 168367708 /nfs/dbraw/zinc/36/77/08/168367708.db2.gz VRJPAYCZRMIVGQ-UHFFFAOYSA-N 1 0 213.325 1.132 10 0 BDAERO CCC(CC)N(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062890923 168367439 /nfs/dbraw/zinc/36/74/39/168367439.db2.gz HIFGCTKCJALTCT-LBPRGKRZSA-N 1 0 212.337 1.633 10 0 BDAERO Cc1ccc(-c2nc(C[C@H](C)[NH3+])no2)o1 ZINC000054161474 178335726 /nfs/dbraw/zinc/33/57/26/178335726.db2.gz PFDMPQOVYDLBMI-LURJTMIESA-N 1 0 207.233 1.528 10 0 BDAERO Cc1ccc(-c2nc([C@@H](C)C[NH3+])no2)cn1 ZINC000054158789 178335830 /nfs/dbraw/zinc/33/58/30/178335830.db2.gz QNMVALMLLPNXHT-ZETCQYMHSA-N 1 0 218.260 1.502 10 0 BDAERO Cc1ccc(-c2nccc(CC[NH3+])n2)cc1 ZINC000054833637 178338574 /nfs/dbraw/zinc/33/85/74/178338574.db2.gz CTNKFQDEKVXKCO-UHFFFAOYSA-N 1 0 213.284 1.953 10 0 BDAERO Cc1ccc(-c2nnc(CC[NH3+])o2)cc1F ZINC000050283728 178340782 /nfs/dbraw/zinc/34/07/82/178340782.db2.gz KCIACCSYXNSOIV-UHFFFAOYSA-N 1 0 221.235 1.685 10 0 BDAERO Cc1ccc(-c2nnc(C[NH3+])n2C)cc1C ZINC000057497867 178341575 /nfs/dbraw/zinc/34/15/75/178341575.db2.gz JXVTUOVMPPDXAI-UHFFFAOYSA-N 1 0 216.288 1.558 10 0 BDAERO Cc1ccc(-c2nnsc2C[NH3+])cc1 ZINC000082379517 178342178 /nfs/dbraw/zinc/34/21/78/178342178.db2.gz GDTBWBYBRVQRLT-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1csc(C)n1 ZINC000381463425 398258705 /nfs/dbraw/zinc/25/87/05/398258705.db2.gz LVBMKTMDAUNRGZ-HTRCEHHLSA-N 1 0 227.333 1.366 10 0 BDAERO Cc1ccc(=O)n(Cc2ccc(C[NH3+])cc2F)n1 ZINC000061810056 178361756 /nfs/dbraw/zinc/36/17/56/178361756.db2.gz FJIDBUOBSJAMKX-UHFFFAOYSA-N 1 0 247.273 1.198 10 0 BDAERO Cc1ccc(Br)cc1[C@H](O)C[NH3+] ZINC000083256336 178362362 /nfs/dbraw/zinc/36/23/62/178362362.db2.gz PUMQBDKVAPURBC-SECBINFHSA-N 1 0 230.105 1.750 10 0 BDAERO CC(C)(C)NC(=O)NC[C@H]([NH3+])C(C)(C)C ZINC000324719561 538951063 /nfs/dbraw/zinc/95/10/63/538951063.db2.gz FMPMIEALSISIIJ-QMMMGPOBSA-N 1 0 215.341 1.458 10 0 BDAERO Cc1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]C2)cc1O ZINC000037540970 178379942 /nfs/dbraw/zinc/37/99/42/178379942.db2.gz DEPYSCZZTZKQEH-GFCCVEGCSA-N 1 0 248.326 1.525 10 0 BDAERO Cc1ccc(C(=O)N(CC[NH3+])C(C)C)cc1 ZINC000020183211 178382159 /nfs/dbraw/zinc/38/21/59/178382159.db2.gz HRQJJZLJTCMXNM-UHFFFAOYSA-N 1 0 220.316 1.804 10 0 BDAERO Cc1ncc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)s1 ZINC000334744840 136232257 /nfs/dbraw/zinc/23/22/57/136232257.db2.gz ARALDWNUNFNGER-WPRPVWTQSA-N 1 0 226.345 1.654 10 0 BDAERO Cc1ccc(C(=O)CN2CC[C@@H]([NH3+])C2)cc1C ZINC000050242563 178373477 /nfs/dbraw/zinc/37/34/77/178373477.db2.gz FWLFZTVKZVIITR-CYBMUJFWSA-N 1 0 232.327 1.519 10 0 BDAERO Cc1ccc(C(=O)N2CCC[C@H]2CCC[NH3+])o1 ZINC000104308342 178391221 /nfs/dbraw/zinc/39/12/21/178391221.db2.gz WJZKJEJDACMPAO-LLVKDONJSA-N 1 0 236.315 1.932 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000038417895 178394950 /nfs/dbraw/zinc/39/49/50/178394950.db2.gz HYDLSKBUKARAOX-GFCCVEGCSA-N 1 0 233.315 1.166 10 0 BDAERO Cc1ccc(CCC[NH2+][C@@H]2C[C@H]2CO)cn1 ZINC000378795945 346835118 /nfs/dbraw/zinc/83/51/18/346835118.db2.gz QNOKEKQPCXQRCR-QWHCGFSZSA-N 1 0 220.316 1.293 10 0 BDAERO CCC(CC)NC(=O)C[NH2+][C@@H](CO)CC(C)C ZINC000049285751 168377593 /nfs/dbraw/zinc/37/75/93/168377593.db2.gz MKYFCWWDGLAYJM-GFCCVEGCSA-N 1 0 244.379 1.288 10 0 BDAERO CCC[C@@H]([NH2+]Cc1ccccc1)C(N)=O ZINC000058018637 346852911 /nfs/dbraw/zinc/85/29/11/346852911.db2.gz LLFVLTDSGHWCDG-LLVKDONJSA-N 1 0 206.289 1.430 10 0 BDAERO C[C@@H]1COC[C@H](C)[N@H+]1[C@@H]1CCSC1 ZINC000306651530 361856291 /nfs/dbraw/zinc/85/62/91/361856291.db2.gz GBKFMEUDQXPVFU-KXUCPTDWSA-N 1 0 201.335 1.601 10 0 BDAERO CSC[C@H](C)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000602590675 349614001 /nfs/dbraw/zinc/61/40/01/349614001.db2.gz DCHWDMDDTWPTSH-GUBZILKMSA-N 1 0 230.377 1.039 10 0 BDAERO C[C@@H](CO)Nc1cc(N)[nH+]cc1Br ZINC000306655650 361861785 /nfs/dbraw/zinc/86/17/85/361861785.db2.gz KQPVRWFHFJNBLE-YFKPBYRVSA-N 1 0 246.108 1.219 10 0 BDAERO CC(C)SCC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000602592129 349615157 /nfs/dbraw/zinc/61/51/57/349615157.db2.gz HIOIVYCHSXAVCH-VHSXEESVSA-N 1 0 230.377 1.181 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCCCN1CC1(F)CC1 ZINC000306657057 361867057 /nfs/dbraw/zinc/86/70/57/361867057.db2.gz HRFLBYWLAYPEML-NXEZZACHSA-N 1 0 200.301 1.690 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1cncc(Cl)n1 ZINC000306659556 361869395 /nfs/dbraw/zinc/86/93/95/361869395.db2.gz LSRVJYZHGUWALT-PHDIDXHHSA-N 1 0 200.673 1.278 10 0 BDAERO [NH3+]C1(CN=S2(=O)CCCC2)CCC1 ZINC000306659664 361870035 /nfs/dbraw/zinc/87/00/35/361870035.db2.gz PJBZHRBWLJGKGQ-UHFFFAOYSA-N 1 0 202.323 1.130 10 0 BDAERO [NH3+]C[C@H]1Cc2c(ccc3c2CCCC3)O1 ZINC000138045040 342749637 /nfs/dbraw/zinc/74/96/37/342749637.db2.gz HCWJNAPAXCNOJT-SNVBAGLBSA-N 1 0 203.285 1.828 10 0 BDAERO Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])o1 ZINC000038049049 178431418 /nfs/dbraw/zinc/43/14/18/178431418.db2.gz AZLYGLGLSOKHTR-UWVGGRQHSA-N 1 0 222.288 1.588 10 0 BDAERO CNC(=O)[C@H]([NH2+][C@H](C)c1ccccn1)C(C)C ZINC000183211854 538965912 /nfs/dbraw/zinc/96/59/12/538965912.db2.gz ZFNLEMYCXFLJOO-ZYHUDNBSSA-N 1 0 235.331 1.503 10 0 BDAERO CC(C)[C@H](C[NH3+])N1C[C@@H](C)OC[C@H]1C ZINC000035783241 342758999 /nfs/dbraw/zinc/75/89/99/342758999.db2.gz RNNMLPMFMPAYGE-MXWKQRLJSA-N 1 0 200.326 1.079 10 0 BDAERO C[C@H](c1ccc(O)c(F)c1)N1CC[NH2+]CC1 ZINC000396719670 349617141 /nfs/dbraw/zinc/61/71/41/349617141.db2.gz HWYGMFANDLIJJO-SECBINFHSA-N 1 0 224.279 1.498 10 0 BDAERO Cc1ccnc(N2CC[C@H]([NH3+])[C@H]2C)c1Cl ZINC000335610138 136236867 /nfs/dbraw/zinc/23/68/67/136236867.db2.gz SVNFVNZANUFLMJ-BDAKNGLRSA-N 1 0 225.723 1.969 10 0 BDAERO Cc1cncc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000232077461 342777547 /nfs/dbraw/zinc/77/75/47/342777547.db2.gz ZMZLWMPZJJDWHJ-LLVKDONJSA-N 1 0 233.315 1.718 10 0 BDAERO C[C@H]([NH2+]CCC(N)=O)c1ccc(Cl)s1 ZINC000036746756 398287447 /nfs/dbraw/zinc/28/74/47/398287447.db2.gz AWAJDODZPSTBEQ-LURJTMIESA-N 1 0 232.736 1.928 10 0 BDAERO CCSCC[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000309678440 342783047 /nfs/dbraw/zinc/78/30/47/342783047.db2.gz YSOXYHDKJSLUKP-ZYHUDNBSSA-N 1 0 244.404 1.586 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1cccs1)n1cncn1 ZINC000043106961 342798242 /nfs/dbraw/zinc/79/82/42/342798242.db2.gz HXWRAVRDQNQKRV-CBAPKCEASA-N 1 0 208.290 1.276 10 0 BDAERO c1cn(C[C@@H]2CCC[N@@H+]2CC2=CCCOC2)cn1 ZINC000188413893 538978876 /nfs/dbraw/zinc/97/88/76/538978876.db2.gz GMRPAQMFBNFHEJ-AWEZNQCLSA-N 1 0 247.342 1.694 10 0 BDAERO Cc1nsc(N2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000127029228 342815130 /nfs/dbraw/zinc/81/51/30/342815130.db2.gz TWUSUOOPCYXVEB-XPUUQOCRSA-N 1 0 212.322 1.020 10 0 BDAERO Cc1ccc(C(=O)[C@@H](C)N2CC[NH2+]CC2)cc1C ZINC000021952554 178444859 /nfs/dbraw/zinc/44/48/59/178444859.db2.gz OKMZWMUUTIGYSI-CYBMUJFWSA-N 1 0 246.354 1.780 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000380242391 538988232 /nfs/dbraw/zinc/98/82/32/538988232.db2.gz NLSIBJRFNPPKGM-GARJFASQSA-N 1 0 212.337 1.665 10 0 BDAERO CC[NH2+][C@@]1(c2nc(C)cs2)CCOC1 ZINC000070993150 361925544 /nfs/dbraw/zinc/92/55/44/361925544.db2.gz JSDFZKOHVMYHQH-JTQLQIEISA-N 1 0 212.318 1.677 10 0 BDAERO [NH3+][C@H]1CC=C(C(=O)c2ccncc2F)C1 ZINC000226563518 342829891 /nfs/dbraw/zinc/82/98/91/342829891.db2.gz PADQTYGHQOKUSH-SFYZADRCSA-N 1 0 206.220 1.307 10 0 BDAERO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000380616730 538991060 /nfs/dbraw/zinc/99/10/60/538991060.db2.gz ZNJBUJAYHUIUQF-LSCVPOLPSA-N 1 0 222.332 1.230 10 0 BDAERO COC[C@H](C)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000189503553 538983134 /nfs/dbraw/zinc/98/31/34/538983134.db2.gz AZRDMJZRSXLUNQ-GMTAPVOTSA-N 1 0 201.310 1.378 10 0 BDAERO O=C1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000074153821 259322474 /nfs/dbraw/zinc/32/24/74/259322474.db2.gz BIGKDCGMCDWOSL-SECBINFHSA-N 1 0 209.676 1.986 10 0 BDAERO Cc1cnn(C)c1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000381552165 539003488 /nfs/dbraw/zinc/00/34/88/539003488.db2.gz NCXWCJYUKQLNPA-QWRGUYRKSA-N 1 0 223.320 1.122 10 0 BDAERO CC[N@H+]1C[C@H](NCc2ncc(C)s2)[C@@H](C)C1 ZINC000381775301 539006789 /nfs/dbraw/zinc/00/67/89/539006789.db2.gz WUFUHNPQDGPJQL-ONGXEEELSA-N 1 0 239.388 1.881 10 0 BDAERO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000390441465 539021418 /nfs/dbraw/zinc/02/14/18/539021418.db2.gz VRNHBXFMCWGAIV-UTUOFQBUSA-N 1 0 219.332 1.691 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000390458609 539022007 /nfs/dbraw/zinc/02/20/07/539022007.db2.gz DWWDBXHOFSRZFJ-WCQYABFASA-N 1 0 224.348 1.799 10 0 BDAERO CCCC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000390590188 539026260 /nfs/dbraw/zinc/02/62/60/539026260.db2.gz ZDSXUIOZILTDNU-GHMZBOCLSA-N 1 0 248.392 1.046 10 0 BDAERO CC(=O)N1CC[C@@H]([NH2+]C2CCCC2)[C@@H](C)C1 ZINC000390653996 539027075 /nfs/dbraw/zinc/02/70/75/539027075.db2.gz QAMLDILLYALSAH-GXFFZTMASA-N 1 0 224.348 1.776 10 0 BDAERO [NH3+]CC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000108377108 539027650 /nfs/dbraw/zinc/02/76/50/539027650.db2.gz QIZAXUZPMOIQQE-SECBINFHSA-N 1 0 203.644 1.861 10 0 BDAERO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)s1 ZINC000391894549 398297915 /nfs/dbraw/zinc/29/79/15/398297915.db2.gz ARZPPFDIYGOOMX-SCZZXKLOSA-N 1 0 240.376 1.591 10 0 BDAERO [NH3+]C1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCCCC1 ZINC000037001031 398298888 /nfs/dbraw/zinc/29/88/88/398298888.db2.gz SWDCEOKSRFMRJU-WDEREUQCSA-N 1 0 240.347 1.068 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000037015103 398299340 /nfs/dbraw/zinc/29/93/40/398299340.db2.gz HDOMYASWRIUMFZ-RDDDGLTNSA-N 1 0 242.269 1.879 10 0 BDAERO CSC[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000157739205 342846571 /nfs/dbraw/zinc/84/65/71/342846571.db2.gz VUGVRXGDAKCWAQ-XNWIYYODSA-N 1 0 230.377 1.372 10 0 BDAERO C[NH2+][C@@H](C)Cc1cc2c(c(O)c1)OCO2 ZINC000238318696 259325628 /nfs/dbraw/zinc/32/56/28/259325628.db2.gz JZNYYUIEDIOJRD-ZETCQYMHSA-N 1 0 209.245 1.271 10 0 BDAERO CCC[C@@H]([NH3+])c1nc2nccnc2s1 ZINC000233293097 342854795 /nfs/dbraw/zinc/85/47/95/342854795.db2.gz CGBHGPLPSWWCGF-ZCFIWIBFSA-N 1 0 208.290 1.886 10 0 BDAERO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000232574222 342860782 /nfs/dbraw/zinc/86/07/82/342860782.db2.gz CHJKTQVNKBQENF-GHMZBOCLSA-N 1 0 243.347 1.611 10 0 BDAERO COC(C)(C)CNC1=[NH+][C@@H](C)CS1 ZINC000165026096 342869847 /nfs/dbraw/zinc/86/98/47/342869847.db2.gz YNWGRQLZKZLKGQ-ZETCQYMHSA-N 1 0 202.323 1.492 10 0 BDAERO COc1cccc(Br)c1C(N)=[NH2+] ZINC000165050489 342872460 /nfs/dbraw/zinc/87/24/60/342872460.db2.gz GJKAVIXRVHDYJR-UHFFFAOYSA-N 1 0 229.077 1.742 10 0 BDAERO C[C@H]1C[C@]2(C[N@@H+]1C1CC1)NCCCS2 ZINC000229949728 342858293 /nfs/dbraw/zinc/85/82/93/342858293.db2.gz PXUCTXMYNIJBTH-ONGXEEELSA-N 1 0 212.362 1.666 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H]1CCC ZINC000233002213 342894418 /nfs/dbraw/zinc/89/44/18/342894418.db2.gz DKNZWOYFEFRTPL-YNEHKIRRSA-N 1 0 229.364 1.942 10 0 BDAERO CC(C)n1ccnc1CN1CCC[C@@H]([NH3+])C1 ZINC000336297640 398317796 /nfs/dbraw/zinc/31/77/96/398317796.db2.gz OJWJHSGBRZCVKB-LLVKDONJSA-N 1 0 222.336 1.387 10 0 BDAERO CCCNC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000134760397 342883451 /nfs/dbraw/zinc/88/34/51/342883451.db2.gz ITDUGDVVZWWTJE-NWDGAFQWSA-N 1 0 239.363 1.665 10 0 BDAERO Cn1nncc1[C@H]([NH3+])[C@]1(C)CCCS1 ZINC000165219295 342883494 /nfs/dbraw/zinc/88/34/94/342883494.db2.gz STTHFGSFNOIKME-IUCAKERBSA-N 1 0 212.322 1.101 10 0 BDAERO CC1(C)C[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000232812880 342886087 /nfs/dbraw/zinc/88/60/87/342886087.db2.gz LXOFPTIZIQACQO-QWRGUYRKSA-N 1 0 224.348 1.538 10 0 BDAERO CC1(C)C[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000232875437 342888110 /nfs/dbraw/zinc/88/81/10/342888110.db2.gz LXOFPTIZIQACQO-WDEREUQCSA-N 1 0 224.348 1.538 10 0 BDAERO CCC1(CNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000232988551 342891408 /nfs/dbraw/zinc/89/14/08/342891408.db2.gz VNDHZLOWFHZKBQ-LLVKDONJSA-N 1 0 224.348 1.683 10 0 BDAERO C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CCC[C@@H]1O ZINC000042308766 398323096 /nfs/dbraw/zinc/32/30/96/398323096.db2.gz HTUVPURMLAMSLU-TUAOUCFPSA-N 1 0 213.321 1.401 10 0 BDAERO COC(=O)CC[NH2+][C@H](C)c1cccs1 ZINC000036891776 342913821 /nfs/dbraw/zinc/91/38/21/342913821.db2.gz WVVQGUJWMHAEMB-MRVPVSSYSA-N 1 0 213.302 1.962 10 0 BDAERO CC(C)(C[NH3+])Nc1nc(Cl)cs1 ZINC000165296734 342900597 /nfs/dbraw/zinc/90/05/97/342900597.db2.gz VWKNWTVQPRAJGR-UHFFFAOYSA-N 1 0 205.714 1.946 10 0 BDAERO CN(c1nc(Cl)cs1)[C@H]1CC[NH2+]C1 ZINC000165304408 342904081 /nfs/dbraw/zinc/90/40/81/342904081.db2.gz DCCBZYBKIPBTPC-LURJTMIESA-N 1 0 217.725 1.595 10 0 BDAERO CS[C@H]1C[NH2+]C[C@@H]1N1CCCCC1 ZINC000134890111 342917470 /nfs/dbraw/zinc/91/74/70/342917470.db2.gz YVWGESUIRGHYBD-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccncc1 ZINC000105780764 398324909 /nfs/dbraw/zinc/32/49/09/398324909.db2.gz SNHGFOVRNVVXCE-AAEUAGOBSA-N 1 0 235.331 1.063 10 0 BDAERO C[C@H](CCO)C[NH2+]C[C@H](O)C(C)(C)C ZINC000308547571 346882946 /nfs/dbraw/zinc/88/29/46/346882946.db2.gz OPCZBHNTVJMYQM-ZJUUUORDSA-N 1 0 203.326 1.002 10 0 BDAERO CC(C)COC[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000038096615 398336038 /nfs/dbraw/zinc/33/60/38/398336038.db2.gz JZEDZVQSPISIKI-OLZOCXBDSA-N 1 0 245.363 1.179 10 0 BDAERO COCCCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000234707206 342939447 /nfs/dbraw/zinc/93/94/47/342939447.db2.gz XWDKHNHZBQXHAT-GFCCVEGCSA-N 1 0 242.363 1.309 10 0 BDAERO Clc1ccc(CN[C@@H]2CC[NH2+]C2)nc1 ZINC000334786587 398345136 /nfs/dbraw/zinc/34/51/36/398345136.db2.gz WDFSMJLIGSERAK-SNVBAGLBSA-N 1 0 211.696 1.187 10 0 BDAERO [NH3+]C1(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000398048178 488190556 /nfs/dbraw/zinc/19/05/56/488190556.db2.gz CBFMNQNLDNVKDY-WDEREUQCSA-N 1 0 238.331 1.038 10 0 BDAERO C[C@@H]1CN(C(=O)C(F)(F)F)[C@@H](C)[C@H](C)[NH2+]1 ZINC000404341229 342956987 /nfs/dbraw/zinc/95/69/87/342956987.db2.gz FUJHXSNPABNFHS-VQVTYTSYSA-N 1 0 224.226 1.146 10 0 BDAERO [NH3+][C@H]1Cc2cc(Cl)cc(Cl)c2[C@H]1O ZINC000019795400 342957791 /nfs/dbraw/zinc/95/77/91/342957791.db2.gz UIPIGMAGKVZZEZ-CBAPKCEASA-N 1 0 218.083 1.910 10 0 BDAERO [NH3+][C@@H]1Cc2cccc(Br)c2[C@@H]1O ZINC000019795389 342957803 /nfs/dbraw/zinc/95/78/03/342957803.db2.gz LDNYPLJRFAEWDF-VXNVDRBHSA-N 1 0 228.089 1.366 10 0 BDAERO [NH3+]CCN1C[C@H]2CCCN2C2=C(F)C=CC[C@H]21 ZINC000216791848 342958251 /nfs/dbraw/zinc/95/82/51/342958251.db2.gz FUQZCNOSUPKGOV-ZYHUDNBSSA-N 1 0 237.322 1.235 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171299707 534929679 /nfs/dbraw/zinc/92/96/79/534929679.db2.gz ZVGIGFIOZIGWSX-CHWSQXEVSA-N 1 0 238.375 1.975 10 0 BDAERO [NH3+][C@@H](CCN1CCOCC1)c1cccs1 ZINC000020274149 342979632 /nfs/dbraw/zinc/97/96/32/342979632.db2.gz NTJHRILHJCZCGF-JTQLQIEISA-N 1 0 226.345 1.470 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@@H]1[NH3+] ZINC000235329691 343010293 /nfs/dbraw/zinc/01/02/93/343010293.db2.gz ROVZVXHGSCWCGY-VWYCJHECSA-N 1 0 208.305 1.148 10 0 BDAERO CCOC(=O)[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC000260518930 349727669 /nfs/dbraw/zinc/72/76/69/349727669.db2.gz RASRWNIZIJLXBP-RQJHMYQMSA-N 1 0 225.210 1.338 10 0 BDAERO C[C@@H](O)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308741568 259340379 /nfs/dbraw/zinc/34/03/79/259340379.db2.gz OZUSUKNCLIPNSU-GMTAPVOTSA-N 1 0 203.301 1.875 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H]1[NH3+] ZINC000235376922 343011273 /nfs/dbraw/zinc/01/12/73/343011273.db2.gz ZSPRRTQIGARZOU-SKDRFNHKSA-N 1 0 243.310 1.587 10 0 BDAERO C[C@H]([NH3+])[C@@H](N1CCSCC1)C(C)(C)C ZINC000043291934 343037444 /nfs/dbraw/zinc/03/74/44/343037444.db2.gz LQTSIOVIYHHEFU-VHSXEESVSA-N 1 0 216.394 1.797 10 0 BDAERO C[C@@H]1CN(c2ncnc3ccccc32)C[C@@H]1[NH3+] ZINC000235401805 343037494 /nfs/dbraw/zinc/03/74/94/343037494.db2.gz UEZAGQMLSMZFLY-KOLCDFICSA-N 1 0 228.299 1.413 10 0 BDAERO CCOc1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000048775611 343059235 /nfs/dbraw/zinc/05/92/35/343059235.db2.gz RSBBJDOIFUJOQS-SECBINFHSA-N 1 0 222.288 1.632 10 0 BDAERO c1cc(-c2cncnc2)nc(C2CC[NH2+]CC2)n1 ZINC000584879930 343080360 /nfs/dbraw/zinc/08/03/60/343080360.db2.gz WTEPUCMHRNDFOX-UHFFFAOYSA-N 1 0 241.298 1.401 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCc1ccccc1C ZINC000082435551 362019240 /nfs/dbraw/zinc/01/92/40/362019240.db2.gz WKXDNURFWWPLQL-LLVKDONJSA-N 1 0 220.316 1.262 10 0 BDAERO C[C@@H]1[NH2+]CCN(C/C(Cl)=C/Cl)[C@H]1C ZINC000306664966 362022648 /nfs/dbraw/zinc/02/26/48/362022648.db2.gz SPXRQBWQAPAQRO-YBXZGVKSSA-N 1 0 223.147 1.988 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCSC2)CO1 ZINC000401912320 344027117 /nfs/dbraw/zinc/02/71/17/344027117.db2.gz MCSGWZDXKITVFH-OPRDCNLKSA-N 1 0 201.335 1.649 10 0 BDAERO CNc1c(N)c[nH+]c2ccc(OC)c(F)c21 ZINC000584882247 343084757 /nfs/dbraw/zinc/08/47/57/343084757.db2.gz WSEODPNIYYQKSL-UHFFFAOYSA-N 1 0 221.235 1.428 10 0 BDAERO COc1cc2c(N)c(N)c[nH+]c2cc1F ZINC000584882524 343085233 /nfs/dbraw/zinc/08/52/33/343085233.db2.gz JLTOEQKKLBWDKC-UHFFFAOYSA-N 1 0 207.208 1.377 10 0 BDAERO C[C@@](O)(C[C@H](O)C[NH3+])C1CCCCC1 ZINC000584883324 343086309 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343212368 /nfs/dbraw/zinc/21/23/68/343212368.db2.gz WYCQPJTXIDNYIF-HTQZYQBOSA-N 1 0 210.281 1.023 10 0 BDAERO c1nc2c(c(N3CC[C@H]4CC[C@@H](C3)[NH2+]4)n1)CCC2 ZINC000132511896 343188141 /nfs/dbraw/zinc/18/81/41/343188141.db2.gz GMDKJXFUKGOEBG-MNOVXSKESA-N 1 0 244.342 1.296 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000134818794 343195525 /nfs/dbraw/zinc/19/55/25/343195525.db2.gz OXLRJJOILQJXMM-VWYCJHECSA-N 1 0 210.321 1.385 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H]1c1nc(C2CC2)no1 ZINC000071001073 343224699 /nfs/dbraw/zinc/22/46/99/343224699.db2.gz FCDLUEZWGMUSET-IUCAKERBSA-N 1 0 207.277 1.803 10 0 BDAERO c1ccc2c(c1)CC[NH2+][C@H]2CN1CCC1 ZINC000238006897 343237625 /nfs/dbraw/zinc/23/76/25/343237625.db2.gz CNMVMIJHXHCKIP-ZDUSSCGKSA-N 1 0 202.301 1.579 10 0 BDAERO CC1(C)[C@@H]([NH2+]CC2(O)CCC2)[C@@H]2CCO[C@@H]21 ZINC000162551534 136277617 /nfs/dbraw/zinc/27/76/17/136277617.db2.gz ZBDOAMFGKMGACZ-DCAQKATOSA-N 1 0 225.332 1.305 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](COc2ccccc2)OC1 ZINC000146006610 343277590 /nfs/dbraw/zinc/27/75/90/343277590.db2.gz KCBYMILXUKIHQJ-WCQYABFASA-N 1 0 221.300 1.819 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000083885899 136286965 /nfs/dbraw/zinc/28/69/65/136286965.db2.gz XVHVKLIGAZHYMP-SNVBAGLBSA-N 1 0 239.344 1.334 10 0 BDAERO C[NH2+][C@@H](C)c1cn(Cc2nccn2C(C)C)nn1 ZINC000641050574 362164456 /nfs/dbraw/zinc/16/44/56/362164456.db2.gz AUYRPWCAYYZWFN-JTQLQIEISA-N 1 0 248.334 1.384 10 0 BDAERO CCc1ccc([C@@H]2OC[C@@H](C[NH3+])O2)s1 ZINC000134994427 343363719 /nfs/dbraw/zinc/36/37/19/343363719.db2.gz JYEGMDJQFGIRDA-GMSGAONNSA-N 1 0 213.302 1.683 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Cc1ccsc1 ZINC000038048644 343367703 /nfs/dbraw/zinc/36/77/03/343367703.db2.gz DSRMIYXZPNWRSH-WDEREUQCSA-N 1 0 238.356 1.677 10 0 BDAERO COc1ccc([C@@H]([NH3+])CO)cc1Br ZINC000038124751 343371882 /nfs/dbraw/zinc/37/18/82/343371882.db2.gz ONXLTZSDNHKCBK-QMMMGPOBSA-N 1 0 246.104 1.450 10 0 BDAERO Cc1ccc(CC(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038048719 178522665 /nfs/dbraw/zinc/52/26/65/178522665.db2.gz CLSRUZASHPWXBR-KGLIPLIRSA-N 1 0 246.354 1.924 10 0 BDAERO O=C1CC2(CC[NH2+]CC2)Oc2ncccc21 ZINC000148229484 343390347 /nfs/dbraw/zinc/39/03/47/343390347.db2.gz BLJXUHIBHPRBMU-UHFFFAOYSA-N 1 0 218.256 1.169 10 0 BDAERO C[NH+](C)CCOC(=O)C(C)(C)Br ZINC000148648714 343393259 /nfs/dbraw/zinc/39/32/59/343393259.db2.gz NYJOTRIACWNFIP-UHFFFAOYSA-N 1 0 238.125 1.265 10 0 BDAERO [NH3+]CC(=O)Cc1ccc(F)c(Br)c1 ZINC000167753738 346936397 /nfs/dbraw/zinc/93/63/97/346936397.db2.gz SNEHCMPUWPZJAX-UHFFFAOYSA-N 1 0 246.079 1.659 10 0 BDAERO Cc1ccc(N[C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC000041045214 343413505 /nfs/dbraw/zinc/41/35/05/343413505.db2.gz PVHRKWHMCYONPU-NXEZZACHSA-N 1 0 206.293 1.467 10 0 BDAERO CC1(C)CC(NC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000395292468 488216747 /nfs/dbraw/zinc/21/67/47/488216747.db2.gz LENZOODIFNZOPY-CYBMUJFWSA-N 1 0 224.348 1.823 10 0 BDAERO CCc1nc(C)cc(NC[C@@H]([NH3+])CC)n1 ZINC000308924149 346941733 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/nfs/dbraw/zinc/57/72/19/343577219.db2.gz DVNFRNWTKZBXNT-FPMFFAJLSA-N 1 0 235.327 1.795 10 0 BDAERO c1csc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404202016 343557529 /nfs/dbraw/zinc/55/75/29/343557529.db2.gz QEFXAIWWAPMYHI-VXGBXAGGSA-N 1 0 238.356 1.311 10 0 BDAERO c1csc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404202009 343557630 /nfs/dbraw/zinc/55/76/30/343557630.db2.gz QEFXAIWWAPMYHI-NWDGAFQWSA-N 1 0 238.356 1.311 10 0 BDAERO c1nc2c([nH]1)[C@@]1(C[C@@H]3CCCC[C@@H]31)[NH2+]CC2 ZINC000712471480 537786967 /nfs/dbraw/zinc/78/69/67/537786967.db2.gz WVCUGRLNAOUWSV-KWBADKCTSA-N 1 0 217.316 1.961 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)o1 ZINC000624235421 343578630 /nfs/dbraw/zinc/57/86/30/343578630.db2.gz JXPHFBVSNNPMJK-AXFHLTTASA-N 1 0 225.288 1.388 10 0 BDAERO FC(F)(F)c1ccnc([C@H]2CC[NH2+]C2)n1 ZINC000147381048 537794180 /nfs/dbraw/zinc/79/41/80/537794180.db2.gz BSKVXERQVWIOBC-LURJTMIESA-N 1 0 217.194 1.572 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000380000343 365790367 /nfs/dbraw/zinc/79/03/67/365790367.db2.gz MGONLZXWYNFBJU-GZMMTYOYSA-N 1 0 213.227 1.435 10 0 BDAERO Cc1cc2c(cc1C)[S@@](=O)[C@@H](C)[C@@H]2[NH3+] ZINC000043636959 343633366 /nfs/dbraw/zinc/63/33/66/343633366.db2.gz CHISEBQKBWTMFD-YLGCSUCGSA-N 1 0 209.314 1.813 10 0 BDAERO Cc1ccc2c(c1)[C@H]([NH3+])[C@@H](C)S2(=O)=O ZINC000043636385 343633744 /nfs/dbraw/zinc/63/37/44/343633744.db2.gz RTNAGBLYCSGMLL-GMSGAONNSA-N 1 0 211.286 1.171 10 0 BDAERO C1CC1[C@H]1CC[NH+]=C2N[C@@H]3CCCC[C@H]3N21 ZINC000300019330 537802103 /nfs/dbraw/zinc/80/21/03/537802103.db2.gz ZOIHCXKZEKQGAY-IJLUTSLNSA-N 1 0 219.332 1.741 10 0 BDAERO c1ccc2c(c1)cncc2[C@@H]1C[NH2+]CCN1 ZINC000309515449 343661743 /nfs/dbraw/zinc/66/17/43/343661743.db2.gz XTWVGAZKKSBQRB-ZDUSSCGKSA-N 1 0 213.284 1.469 10 0 BDAERO CC[C@@H]([NH3+])CNc1ccc(S(C)(=O)=O)cc1 ZINC000082579277 133502692 /nfs/dbraw/zinc/50/26/92/133502692.db2.gz JJNAORKJWFTMAY-SECBINFHSA-N 1 0 242.344 1.239 10 0 BDAERO COCCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178330061 346952189 /nfs/dbraw/zinc/95/21/89/346952189.db2.gz ZSVGVKCAPMOWIY-ZDUSSCGKSA-N 1 0 237.347 1.692 10 0 BDAERO CC(C)([NH3+])COc1ccc(-n2ccnc2)cc1 ZINC000199574002 343700626 /nfs/dbraw/zinc/70/06/26/343700626.db2.gz FRWLKZPQIVLQEQ-UHFFFAOYSA-N 1 0 231.299 1.988 10 0 BDAERO CS[C@H]1CCC[C@@H]1N1CC[NH2+]CC1 ZINC000235084477 343738690 /nfs/dbraw/zinc/73/86/90/343738690.db2.gz WBECDCPDFNKYSC-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]CC1=CCCOC1 ZINC000127728057 343743679 /nfs/dbraw/zinc/74/36/79/343743679.db2.gz YBYBFPYCSYPXKP-UONOGXRCSA-N 1 0 239.359 1.984 10 0 BDAERO COc1cc(O)cc(OC)c1[C@H]1CCC[NH2+]1 ZINC000309543544 343724249 /nfs/dbraw/zinc/72/42/49/343724249.db2.gz HVUINAKHPMCXOX-SECBINFHSA-N 1 0 223.272 1.834 10 0 BDAERO CC1(C)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000335869392 344036657 /nfs/dbraw/zinc/03/66/57/344036657.db2.gz YCEXPBHRPRMZGN-SNVBAGLBSA-N 1 0 222.332 1.530 10 0 BDAERO CSCC[NH2+]Cc1cnc2ccnn2c1 ZINC000309076429 349854997 /nfs/dbraw/zinc/85/49/97/349854997.db2.gz KYJLHJOUBBLBPZ-UHFFFAOYSA-N 1 0 222.317 1.182 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@H]1C1CC1 ZINC000143476256 343785294 /nfs/dbraw/zinc/78/52/94/343785294.db2.gz RYNAGLMDQOVNMK-UWVGGRQHSA-N 1 0 226.320 1.509 10 0 BDAERO c1ccc2c(c1)cncc2[C@H]1C[NH2+]CCN1 ZINC000309158933 346973601 /nfs/dbraw/zinc/97/36/01/346973601.db2.gz XTWVGAZKKSBQRB-CYBMUJFWSA-N 1 0 213.284 1.469 10 0 BDAERO [NH3+][C@H]1CCN(c2cc(-c3ccsc3)[nH]n2)C1 ZINC000129665009 343788048 /nfs/dbraw/zinc/78/80/48/343788048.db2.gz VZPDUZGWVNPQPT-VIFPVBQESA-N 1 0 234.328 1.676 10 0 BDAERO C[NH2+]CCCc1cnn(-c2ccccn2)c1 ZINC000054670238 343789523 /nfs/dbraw/zinc/78/95/23/343789523.db2.gz VUJDEIPBIWWZEA-UHFFFAOYSA-N 1 0 216.288 1.419 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N1CCC(C(F)F)CC1 ZINC000307892785 343790098 /nfs/dbraw/zinc/79/00/98/343790098.db2.gz UJKBOAPIUPOZLX-VIFPVBQESA-N 1 0 232.274 1.242 10 0 BDAERO COc1cccc2c1OCCN(CCC[NH3+])C2 ZINC000214326620 343792274 /nfs/dbraw/zinc/79/22/74/343792274.db2.gz JLKVQTVNBMNASZ-UHFFFAOYSA-N 1 0 236.315 1.238 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1[NH3+] ZINC000215314409 343792531 /nfs/dbraw/zinc/79/25/31/343792531.db2.gz HMAUGCHVYGNMEL-RKDXNWHRSA-N 1 0 214.309 1.733 10 0 BDAERO CO[C@H]1CCCN(c2cc(N)cc[nH+]2)C1 ZINC000230219977 343793533 /nfs/dbraw/zinc/79/35/33/343793533.db2.gz LMYOQJYFIUCTHY-JTQLQIEISA-N 1 0 207.277 1.279 10 0 BDAERO CC(C)N1C[C@H](COC2CC[NH2+]CC2)CC1=O ZINC000231563153 343794214 /nfs/dbraw/zinc/79/42/14/343794214.db2.gz FFWXJVIHWLASDC-LLVKDONJSA-N 1 0 240.347 1.012 10 0 BDAERO [NH3+]CCc1nnc2n1CCC[C@H]2C(F)(F)F ZINC000409428252 343802960 /nfs/dbraw/zinc/80/29/60/343802960.db2.gz MHUQOSNPMDXVQV-ZCFIWIBFSA-N 1 0 234.225 1.219 10 0 BDAERO Cc1ccc(CN2CC([NH3+])C2)c(Cl)c1 ZINC000235868726 343795727 /nfs/dbraw/zinc/79/57/27/343795727.db2.gz RBLKJHOEFRJVDM-UHFFFAOYSA-N 1 0 210.708 1.791 10 0 BDAERO O=c1c2sccc2ncn1[C@@H]1CCC[NH2+]C1 ZINC000409423274 343815433 /nfs/dbraw/zinc/81/54/33/343815433.db2.gz PGXNICGIKWVIRP-MRVPVSSYSA-N 1 0 235.312 1.383 10 0 BDAERO C[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409423730 343815685 /nfs/dbraw/zinc/81/56/85/343815685.db2.gz AIGGJANGYDBPEA-YIZRAAEISA-N 1 0 232.274 1.227 10 0 BDAERO Cc1nc([C@H]2C[NH2+]C[C@H]2c2ccccn2)no1 ZINC000409424077 343816759 /nfs/dbraw/zinc/81/67/59/343816759.db2.gz SXBBLFRKMLHZFF-ZJUUUORDSA-N 1 0 230.271 1.244 10 0 BDAERO CCOC[C@H]1CN(CC[NH3+])C[C@@H]1C(F)(F)F ZINC000409425715 343820552 /nfs/dbraw/zinc/82/05/52/343820552.db2.gz BEHBLPCGCMVSIZ-BDAKNGLRSA-N 1 0 240.269 1.092 10 0 BDAERO [NH2+]=C(CN1CCC[C@@H]1c1cccnc1)NO ZINC000409426073 343821310 /nfs/dbraw/zinc/82/13/10/343821310.db2.gz CPRFIMGSWVQIRV-SNVBAGLBSA-N 1 0 220.276 1.175 10 0 BDAERO CC[NH+]1CCC(CCn2cc(C=O)nn2)CC1 ZINC000409426346 343822504 /nfs/dbraw/zinc/82/25/04/343822504.db2.gz QJXHVAAKVRYLCK-UHFFFAOYSA-N 1 0 236.319 1.213 10 0 BDAERO [NH2+]=C(NO)[C@H](c1cccnc1)N1CCCCC1 ZINC000409442141 343857325 /nfs/dbraw/zinc/85/73/25/343857325.db2.gz TUTKGMLPZHXUPZ-NSHDSACASA-N 1 0 234.303 1.565 10 0 BDAERO Cc1nn2ccn(CC3CCC3)c2c1C(N)=[NH2+] ZINC000409440004 343854104 /nfs/dbraw/zinc/85/41/04/343854104.db2.gz VADIJGNULQZMQO-UHFFFAOYSA-N 1 0 231.303 1.528 10 0 BDAERO CCc1[nH]nc(-c2cnccn2)c1C[NH2+]C ZINC000409440737 343854425 /nfs/dbraw/zinc/85/44/25/343854425.db2.gz OPKPPBCSVNLHBJ-UHFFFAOYSA-N 1 0 217.276 1.149 10 0 BDAERO NC(=[NH2+])Cn1nc(-c2ccccc2)cc1N ZINC000409441114 343855062 /nfs/dbraw/zinc/85/50/62/343855062.db2.gz WKSNHYIFCDCKLX-UHFFFAOYSA-N 1 0 215.260 1.068 10 0 BDAERO [NH3+]Cc1cncc(N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000409441248 343855598 /nfs/dbraw/zinc/85/55/98/343855598.db2.gz OHQFJAYHRMKPDG-VXGBXAGGSA-N 1 0 217.316 1.777 10 0 BDAERO [NH3+]Cc1cc(-c2cccnc2)nc(C2CC2)n1 ZINC000409440835 343856032 /nfs/dbraw/zinc/85/60/32/343856032.db2.gz ZXAKPBTWZJXLRY-UHFFFAOYSA-N 1 0 226.283 1.875 10 0 BDAERO CCOC[C@H]1CN(C(N)=[NH2+])C[C@@H]1C(F)(F)F ZINC000409433006 343828855 /nfs/dbraw/zinc/82/88/55/343828855.db2.gz MBRQQSQCULYXAW-RQJHMYQMSA-N 1 0 239.241 1.027 10 0 BDAERO Cc1[nH]nc(-c2ccncc2)c1CC[NH3+] ZINC000409442184 343857451 /nfs/dbraw/zinc/85/74/51/343857451.db2.gz XHVFJTLLRKIKLQ-UHFFFAOYSA-N 1 0 202.261 1.281 10 0 BDAERO CC1(CF)CCN(CC(=[NH2+])NO)CC1 ZINC000409435073 343836000 /nfs/dbraw/zinc/83/60/00/343836000.db2.gz SDRWIASOKPKDLR-UHFFFAOYSA-N 1 0 203.261 1.014 10 0 BDAERO Cc1ccc(CNC(=O)[C@@](C)([NH3+])C2CC2)o1 ZINC000053038563 178597113 /nfs/dbraw/zinc/59/71/13/178597113.db2.gz CQWFPWVRYSNHAP-LBPRGKRZSA-N 1 0 222.288 1.332 10 0 BDAERO C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H]1CCCO1 ZINC000392765165 349876084 /nfs/dbraw/zinc/87/60/84/349876084.db2.gz SHGKNUYQTQSBHV-ONGXEEELSA-N 1 0 222.288 1.444 10 0 BDAERO OCc1ccc2c(c1)N(C1CC[NH2+]CC1)CC2 ZINC000409435755 343840127 /nfs/dbraw/zinc/84/01/27/343840127.db2.gz WJYMVFCAKAPBLQ-UHFFFAOYSA-N 1 0 232.327 1.293 10 0 BDAERO CCN(C(=O)[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000409435726 343840133 /nfs/dbraw/zinc/84/01/33/343840133.db2.gz WHNAQTUBXNDVAL-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO [NH2+]=C(CN(C1CC1)C1CCSCC1)NO ZINC000409435776 343840287 /nfs/dbraw/zinc/84/02/87/343840287.db2.gz WMMMSRIATLYYHT-UHFFFAOYSA-N 1 0 229.349 1.302 10 0 BDAERO COc1ccc([C@H]2C[C@@H](CO)C[N@@H+]2C)cc1 ZINC000409438988 343845829 /nfs/dbraw/zinc/84/58/29/343845829.db2.gz FKCYFHAVLYRXJN-ZWNOBZJWSA-N 1 0 221.300 1.680 10 0 BDAERO [NH3+]CCn1ccn2nc(-c3cccs3)cc12 ZINC000409439323 343846857 /nfs/dbraw/zinc/84/68/57/343846857.db2.gz QVZYFWMOKYTSFJ-UHFFFAOYSA-N 1 0 232.312 1.823 10 0 BDAERO CCn1cc(C[NH2+]C)c(-c2ccncc2)n1 ZINC000409439805 343848486 /nfs/dbraw/zinc/84/84/86/343848486.db2.gz QTHWBWBQSGJORH-UHFFFAOYSA-N 1 0 216.288 1.684 10 0 BDAERO C[N@@H+]1C[C@H](CO)C[C@H]1c1ccc(F)cc1 ZINC000409437787 343849042 /nfs/dbraw/zinc/84/90/42/343849042.db2.gz BGACITNEZTWFQD-SKDRFNHKSA-N 1 0 209.264 1.811 10 0 BDAERO Cn1cc(CC[NH3+])c(-c2ccsc2)n1 ZINC000409437843 343849057 /nfs/dbraw/zinc/84/90/57/343849057.db2.gz JGAJWTDFEBHRLZ-UHFFFAOYSA-N 1 0 207.302 1.650 10 0 BDAERO C[NH2+]Cc1cn(CCF)nc1-c1cccnc1 ZINC000409437898 343849371 /nfs/dbraw/zinc/84/93/71/343849371.db2.gz JQSZHKSOVUTIPG-UHFFFAOYSA-N 1 0 234.278 1.634 10 0 BDAERO CC(C)Cn1cc(C[NH3+])c(-c2cnccn2)n1 ZINC000409440615 343852876 /nfs/dbraw/zinc/85/28/76/343852876.db2.gz USIBQFLWQLWFGA-UHFFFAOYSA-N 1 0 231.303 1.455 10 0 BDAERO C[C@]1(NC=O)CC[N@H+](Cc2ccccc2)C1 ZINC000405964186 343881100 /nfs/dbraw/zinc/88/11/00/343881100.db2.gz QGMUBZCSINPZAS-ZDUSSCGKSA-N 1 0 218.300 1.397 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1c1noc(C2CC2)n1 ZINC000409441380 343859041 /nfs/dbraw/zinc/85/90/41/343859041.db2.gz PDLSCSZKSRVXJY-BDAKNGLRSA-N 1 0 207.277 1.803 10 0 BDAERO CCNC1=[NH+]C2(CS1)CCOCC2 ZINC000230731714 347000172 /nfs/dbraw/zinc/00/01/72/347000172.db2.gz IUISORJTGOKNEH-UHFFFAOYSA-N 1 0 200.307 1.248 10 0 BDAERO [NH2+]=C(COc1ccc2c(c1)OCCCO2)NO ZINC000409442931 343865166 /nfs/dbraw/zinc/86/51/66/343865166.db2.gz DKZGGTHIFACMTJ-UHFFFAOYSA-N 1 0 238.243 1.183 10 0 BDAERO NC(=[NH2+])c1cc(C(F)(F)F)nn1CC1CC1 ZINC000409443279 343866625 /nfs/dbraw/zinc/86/66/25/343866625.db2.gz KIIPWOXXJOJYQH-UHFFFAOYSA-N 1 0 232.209 1.596 10 0 BDAERO CC[C@@H]1CN(CC[NH2+]CCC(C)C)CCO1 ZINC000053382493 133507893 /nfs/dbraw/zinc/50/78/93/133507893.db2.gz ICURTHFBRAAFOA-CYBMUJFWSA-N 1 0 228.380 1.733 10 0 BDAERO COc1cc(OC2CC([NH3+])C2)ccc1F ZINC000396432580 347002617 /nfs/dbraw/zinc/00/26/17/347002617.db2.gz HVEKPIMBOGFEQF-UHFFFAOYSA-N 1 0 211.236 1.703 10 0 BDAERO C[C@H](C[NH3+])[C@@H](O)C1CCC(F)(F)CC1 ZINC000127171858 343886976 /nfs/dbraw/zinc/88/69/76/343886976.db2.gz UEUHUSOYOIVSCQ-VXNVDRBHSA-N 1 0 207.264 1.768 10 0 BDAERO CC(C)(C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000157054092 343905445 /nfs/dbraw/zinc/90/54/45/343905445.db2.gz HWOTWORTQDUVTA-UHFFFAOYSA-N 1 0 216.325 1.899 10 0 BDAERO CCC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723654 343920598 /nfs/dbraw/zinc/92/05/98/343920598.db2.gz ADOLEXFDDCOLJR-IJLUTSLNSA-N 1 0 215.337 1.431 10 0 BDAERO C[N@H+](C1CCC1)[C@@]1(CN)CCCSC1 ZINC000127219730 344042303 /nfs/dbraw/zinc/04/23/03/344042303.db2.gz FTBAGJWKNMYXBL-LLVKDONJSA-N 1 0 214.378 1.695 10 0 BDAERO O=C(c1cc(F)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000036158745 343952936 /nfs/dbraw/zinc/95/29/36/343952936.db2.gz HSJICOUDPCMEMK-JTQLQIEISA-N 1 0 211.211 1.900 10 0 BDAERO CS[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC000307635345 343955836 /nfs/dbraw/zinc/95/58/36/343955836.db2.gz RJVUIHOZVKLDHG-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccn1 ZINC000234433374 343966889 /nfs/dbraw/zinc/96/68/89/343966889.db2.gz BIETXGHPZOOHCR-ZCFIWIBFSA-N 1 0 213.668 1.281 10 0 BDAERO O=C(C[NH2+][C@H]1CC[C@H](O)CC1)c1nccs1 ZINC000257351768 344105983 /nfs/dbraw/zinc/10/59/83/344105983.db2.gz GZTDGVLLHZFPRS-KYZUINATSA-N 1 0 240.328 1.219 10 0 BDAERO C[C@@H]1C[C@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634740946 344163353 /nfs/dbraw/zinc/16/33/53/344163353.db2.gz NPLXMNUBGJGGHL-BLFANLJRSA-N 1 0 222.332 1.148 10 0 BDAERO CCC(=O)N[C@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616568902 344168551 /nfs/dbraw/zinc/16/85/51/344168551.db2.gz DZJBCOQXONQGFA-MNOVXSKESA-N 1 0 212.337 1.537 10 0 BDAERO [NH3+]C[C@H](N1CCCC1=O)C(F)(F)C(F)(F)F ZINC000616569191 344169498 /nfs/dbraw/zinc/16/94/98/344169498.db2.gz ISIGYHHFTZRVKI-YFKPBYRVSA-N 1 0 246.179 1.134 10 0 BDAERO CCCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735269 344122238 /nfs/dbraw/zinc/12/22/38/344122238.db2.gz ASHSKZUTXBQGKV-JQWIXIFHSA-N 1 0 210.321 1.292 10 0 BDAERO C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C[C@H]1C ZINC000634754543 344210108 /nfs/dbraw/zinc/21/01/08/344210108.db2.gz DOMMNKJEONYIBW-NMKXLXIOSA-N 1 0 236.359 1.491 10 0 BDAERO CCc1nc(CC[NH2+][C@@H](C)C(C)C)no1 ZINC000129294145 344212030 /nfs/dbraw/zinc/21/20/30/344212030.db2.gz NJVALJHOZBRDBF-VIFPVBQESA-N 1 0 211.309 1.809 10 0 BDAERO CC(C)c1nsc(N2CC[C@H]([NH3+])C2)n1 ZINC000083670251 344181445 /nfs/dbraw/zinc/18/14/45/344181445.db2.gz VBGVNCNISSJRKU-ZETCQYMHSA-N 1 0 212.322 1.199 10 0 BDAERO CC(C)C[C@H]1CCN(C(=O)C2CC2)C[C@@H]1[NH3+] ZINC000616572463 344184116 /nfs/dbraw/zinc/18/41/16/344184116.db2.gz WAKMITHLZPYJGH-NEPJUHHUSA-N 1 0 224.348 1.618 10 0 BDAERO CCC(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616574150 344186776 /nfs/dbraw/zinc/18/67/76/344186776.db2.gz XMXKDKAJVXYOKM-VIFPVBQESA-N 1 0 206.289 1.733 10 0 BDAERO Cc1ccc(N)c(C)c1C[NH2+][C@H](C)CO ZINC000616574844 344189387 /nfs/dbraw/zinc/18/93/87/344189387.db2.gz ZCJFXFGZTYNPIV-SECBINFHSA-N 1 0 208.305 1.356 10 0 BDAERO C[C@H]1C[N@H+](C[C@@H]2CCCCC2=O)CCO1 ZINC000060719904 344198170 /nfs/dbraw/zinc/19/81/70/344198170.db2.gz FKCOILHQYCFIKG-QWRGUYRKSA-N 1 0 211.305 1.466 10 0 BDAERO CC[C@@H](C)CN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634750810 344201441 /nfs/dbraw/zinc/20/14/41/344201441.db2.gz FKHINOXTTJWXKT-DYEKYZERSA-N 1 0 238.375 1.881 10 0 BDAERO CNc1cc(Br)ccc1C[NH3+] ZINC000165953442 344247614 /nfs/dbraw/zinc/24/76/14/344247614.db2.gz UCQTYLFJWUDGCP-UHFFFAOYSA-N 1 0 215.094 1.950 10 0 BDAERO CO[C@@H]1CCCC[C@@]12[NH2+]C[C@@H](C)S2 ZINC000234771014 344252734 /nfs/dbraw/zinc/25/27/34/344252734.db2.gz IVEVHZRTJNGCDU-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO Cc1ccc(Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000058054097 178654955 /nfs/dbraw/zinc/65/49/55/178654955.db2.gz HJABLZXHDWMGDM-UHFFFAOYSA-N 1 0 229.283 1.128 10 0 BDAERO O=C(N[C@H]1CC=CCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771915 344287204 /nfs/dbraw/zinc/28/72/04/344287204.db2.gz OMJGVXUKNNJUHD-OBJOEFQTSA-N 1 0 234.343 1.601 10 0 BDAERO O[C@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3COC[C@@H]3C2)C1 ZINC000634779610 344312023 /nfs/dbraw/zinc/31/20/23/344312023.db2.gz XBZPPRFTXDRTOZ-NDBYEHHHSA-N 1 0 225.332 1.116 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccnc2cccnc21 ZINC000385105364 344326731 /nfs/dbraw/zinc/32/67/31/344326731.db2.gz QPIPMYZOTCRKOH-VHSXEESVSA-N 1 0 228.299 1.556 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2sccc21 ZINC000385182529 344365678 /nfs/dbraw/zinc/36/56/78/344365678.db2.gz JIGNJZIPFJBUGA-HTQZYQBOSA-N 1 0 234.328 1.617 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1ncnc2ccccc21 ZINC000385158287 344355903 /nfs/dbraw/zinc/35/59/03/344355903.db2.gz AOCXJVZKTXVKEP-UWVGGRQHSA-N 1 0 228.299 1.556 10 0 BDAERO Cc1cnccc1CN1CC[C@H]([NH3+])[C@H]1C ZINC000385029692 344300554 /nfs/dbraw/zinc/30/05/54/344300554.db2.gz KIJIYRBEGZJRIW-PWSUYJOCSA-N 1 0 205.305 1.312 10 0 BDAERO O=[S@@](C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000223181732 344370807 /nfs/dbraw/zinc/37/08/07/344370807.db2.gz PFPDGQVDOUENDF-YGRLFVJLSA-N 1 0 209.314 1.546 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C(F)(F)F)nn1 ZINC000385259937 344384872 /nfs/dbraw/zinc/38/48/72/344384872.db2.gz PXOQHHRFOYOTIL-NKWVEPMBSA-N 1 0 246.236 1.421 10 0 BDAERO [NH3+]C1CN(Cc2cnc(Cl)cc2Cl)C1 ZINC000166028541 344394079 /nfs/dbraw/zinc/39/40/79/344394079.db2.gz ZNUQBUVSMFPHJL-UHFFFAOYSA-N 1 0 232.114 1.531 10 0 BDAERO CC(C)(O)c1ccccc1N1CC[NH2+]CC1 ZINC000215822068 344407289 /nfs/dbraw/zinc/40/72/89/344407289.db2.gz YXDKCBWVZCUGHZ-UHFFFAOYSA-N 1 0 220.316 1.324 10 0 BDAERO C([NH2+][C@H]1CCCSC1)[C@H]1CCOCO1 ZINC000220718561 344570429 /nfs/dbraw/zinc/57/04/29/344570429.db2.gz UKYUILQXIHNMKA-VHSXEESVSA-N 1 0 217.334 1.235 10 0 BDAERO [NH3+][C@@H]1COC[C@H]1c1cccc(Br)c1 ZINC000217116768 344516453 /nfs/dbraw/zinc/51/64/53/344516453.db2.gz KIAQEABBQFJVNP-VHSXEESVSA-N 1 0 242.116 1.890 10 0 BDAERO CCOCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152494204 344581232 /nfs/dbraw/zinc/58/12/32/344581232.db2.gz WFYJBRXZUMUVQL-ZDUSSCGKSA-N 1 0 236.315 1.571 10 0 BDAERO CCC[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000388682508 344657352 /nfs/dbraw/zinc/65/73/52/344657352.db2.gz HQMHETBQHICSPE-VHSXEESVSA-N 1 0 203.326 1.144 10 0 BDAERO C[C@H](c1ccc(Cl)s1)N1C[C@H]([NH3+])C1=O ZINC000227621184 344660646 /nfs/dbraw/zinc/66/06/46/344660646.db2.gz ZAVSERGSTRMFEP-RITPCOANSA-N 1 0 230.720 1.632 10 0 BDAERO CC[C@@H]([NH3+])Cc1nc2cccnc2s1 ZINC000127748449 344639778 /nfs/dbraw/zinc/63/97/78/344639778.db2.gz WFOUORDFKHLVIM-SSDOTTSWSA-N 1 0 207.302 1.971 10 0 BDAERO NC[C@](F)(C1CC1)[C@H]1CCCCC[NH2+]1 ZINC000158411781 344645539 /nfs/dbraw/zinc/64/55/39/344645539.db2.gz YLFVSPRDXFJRMN-MNOVXSKESA-N 1 0 200.301 1.596 10 0 BDAERO Cn1ncnc1S[C@H]1CCCC[C@H]1[NH3+] ZINC000128090730 344734668 /nfs/dbraw/zinc/73/46/68/344734668.db2.gz MVXAGYDEXQPULH-SFYZADRCSA-N 1 0 212.322 1.177 10 0 BDAERO c1nc2c([nH]1)[C@@H]([C@@H]1CC=CCC1)[NH2+]CC2 ZINC000400404145 537855251 /nfs/dbraw/zinc/85/52/51/537855251.db2.gz RZGGRXUMSJHYSW-MWLCHTKSSA-N 1 0 203.289 1.953 10 0 BDAERO C[N@H+](C[C@H]1C[C@@H](O)C1)C[C@@H]1CCC[C@H](O)C1 ZINC000626046552 344696866 /nfs/dbraw/zinc/69/68/66/344696866.db2.gz IOVMTYQPWZYPDG-NDBYEHHHSA-N 1 0 227.348 1.240 10 0 BDAERO C[C@@H]1CCC[N@H+](CCC(N)=S)[C@@H]1C ZINC000050564864 344711375 /nfs/dbraw/zinc/71/13/75/344711375.db2.gz OHBHENDPIBDJRU-RKDXNWHRSA-N 1 0 200.351 1.783 10 0 BDAERO [NH3+]Cc1coc(-n2cc(Br)cn2)n1 ZINC000166193613 344779573 /nfs/dbraw/zinc/77/95/73/344779573.db2.gz MAFGHEICDDIPBF-UHFFFAOYSA-N 1 0 243.064 1.082 10 0 BDAERO CS[C@H]1CC[C@H]([NH+]2CCC(=O)CC2)C1 ZINC000235082879 344774843 /nfs/dbraw/zinc/77/48/43/344774843.db2.gz GIWQZJIZYUDASM-ONGXEEELSA-N 1 0 213.346 1.935 10 0 BDAERO CS[C@H]1CCC[C@@H]1[NH+]1CCC([NH3+])CC1 ZINC000235083707 344774911 /nfs/dbraw/zinc/77/49/11/344774911.db2.gz XQUJUONLZGFRQJ-QWRGUYRKSA-N 1 0 214.378 1.694 10 0 BDAERO C[C@@H](CO)Nc1c(N)c[nH+]cc1Br ZINC000235134208 344805919 /nfs/dbraw/zinc/80/59/19/344805919.db2.gz AJEWIXZIHNUSAG-YFKPBYRVSA-N 1 0 246.108 1.219 10 0 BDAERO CN(C(=O)C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000062810258 347082381 /nfs/dbraw/zinc/08/23/81/347082381.db2.gz MCJWAGLTRWLPRN-DHBOJHSNSA-N 1 0 236.237 1.290 10 0 BDAERO Cc1nc(C)c([C@H](O)[C@@H](C)C[NH3+])s1 ZINC000235141659 344818798 /nfs/dbraw/zinc/81/87/98/344818798.db2.gz BXRCRNOMLZSARH-YLWLKBPMSA-N 1 0 200.307 1.388 10 0 BDAERO Cc1ccc(NC(=O)[C@H](C)[NH3+])c2cccnc12 ZINC000037044595 178747006 /nfs/dbraw/zinc/74/70/06/178747006.db2.gz CJLMGBAMSZSVEH-VIFPVBQESA-N 1 0 229.283 1.829 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H](C)[NH2+]1 ZINC000307526735 344852219 /nfs/dbraw/zinc/85/22/19/344852219.db2.gz IPQYEIDFNYVNKF-BBBLOLIVSA-N 1 0 228.336 1.992 10 0 BDAERO CS[C@H]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000235244647 344856848 /nfs/dbraw/zinc/85/68/48/344856848.db2.gz NLTZBSGTKMMXKW-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]1OCC[C@H]1SC1CC[NH2+]CC1 ZINC000235291827 344875095 /nfs/dbraw/zinc/87/50/95/344875095.db2.gz VRAXTDYSBNFXAL-WCBMZHEXSA-N 1 0 201.335 1.649 10 0 BDAERO Cc1nc(C)c([C@H](O)[C@H](C)C[NH3+])s1 ZINC000235437101 344911525 /nfs/dbraw/zinc/91/15/25/344911525.db2.gz BXRCRNOMLZSARH-SVGQVSJJSA-N 1 0 200.307 1.388 10 0 BDAERO C[C@@H]1SCC[C@@]1([NH3+])c1nccs1 ZINC000235341831 344890068 /nfs/dbraw/zinc/89/00/68/344890068.db2.gz QOGNCCVRXUNQIW-XPUUQOCRSA-N 1 0 200.332 1.823 10 0 BDAERO C[C@@H]1SCC[C@]1([NH3+])c1nccs1 ZINC000235395813 344901505 /nfs/dbraw/zinc/90/15/05/344901505.db2.gz QOGNCCVRXUNQIW-POYBYMJQSA-N 1 0 200.332 1.823 10 0 BDAERO Cc1ccnc(N[C@H](C)C[NH3+])c1Br ZINC000235470848 344922565 /nfs/dbraw/zinc/92/25/65/344922565.db2.gz YFOLUFHEFDBHBZ-SSDOTTSWSA-N 1 0 244.136 1.912 10 0 BDAERO Cc1ccc(N[C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000041045213 178778287 /nfs/dbraw/zinc/77/82/87/178778287.db2.gz PVHRKWHMCYONPU-UWVGGRQHSA-N 1 0 206.293 1.467 10 0 BDAERO C[C@H]1SCC[C@@]1(CN)[NH+]1CCCC1 ZINC000235621656 344959002 /nfs/dbraw/zinc/95/90/02/344959002.db2.gz AAKJVOSNXWLKGZ-ZJUUUORDSA-N 1 0 200.351 1.305 10 0 BDAERO CCC1(c2nncn2CC(C)C)CC[NH2+]CC1 ZINC000062846083 168507554 /nfs/dbraw/zinc/50/75/54/168507554.db2.gz HCUAVGBIFKUFNO-UHFFFAOYSA-N 1 0 236.363 1.965 10 0 BDAERO [NH3+][C@@H](CCO)c1cc2c(cc1Cl)OCO2 ZINC000044236261 344987225 /nfs/dbraw/zinc/98/72/25/344987225.db2.gz HWFDEAFLXZTRBW-QMMMGPOBSA-N 1 0 229.663 1.451 10 0 BDAERO CCOc1ccc([C@@H]([NH3+])CCO)cc1OC ZINC000044232249 344988194 /nfs/dbraw/zinc/98/81/94/344988194.db2.gz XTSSUEXZEBKVEZ-JTQLQIEISA-N 1 0 225.288 1.476 10 0 BDAERO Cc1ccc(F)c([C@H]([NH3+])CCO)c1F ZINC000044233444 344989178 /nfs/dbraw/zinc/98/91/78/344989178.db2.gz UTCXAJNUSREWOW-MRVPVSSYSA-N 1 0 201.216 1.655 10 0 BDAERO CCC(CC)C[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000153889501 344994237 /nfs/dbraw/zinc/99/42/37/344994237.db2.gz FWIGSXIYCHBDPV-AWEZNQCLSA-N 1 0 242.407 1.811 10 0 BDAERO CCC1CCC(C[NH2+]C[C@@H](O)CN(C)C)CC1 ZINC000037905514 168515122 /nfs/dbraw/zinc/51/51/22/168515122.db2.gz JGDWXBCUNNNNMG-JXQTWKCFSA-N 1 0 242.407 1.715 10 0 BDAERO C[NH2+]CCC(=O)Nc1cnccc1Cl ZINC000166734764 345003493 /nfs/dbraw/zinc/00/34/93/345003493.db2.gz HOIFPXRJTXFSLW-UHFFFAOYSA-N 1 0 213.668 1.283 10 0 BDAERO C[C@@H](c1nccs1)N(C)C[C@H]1CC[NH2+]C1 ZINC000248081888 345035784 /nfs/dbraw/zinc/03/57/84/345035784.db2.gz QIPBCQADTVKWCS-UWVGGRQHSA-N 1 0 225.361 1.745 10 0 BDAERO Cc1ccc(OC[C@H](C)O)c([C@H](C)[NH3+])c1 ZINC000037710512 178813346 /nfs/dbraw/zinc/81/33/46/178813346.db2.gz HQOWFFVCCLLIRN-UWVGGRQHSA-N 1 0 209.289 1.774 10 0 BDAERO COc1ccc([C@H](C)[C@@H]2[NH2+]C[C@@H]3O[C@@H]32)cc1 ZINC000238395930 345039007 /nfs/dbraw/zinc/03/90/07/345039007.db2.gz PIBGCGCBKINTID-WTFGDDLMSA-N 1 0 219.284 1.538 10 0 BDAERO [NH3+]Cc1nc(F)ccc1OC(F)(F)F ZINC000238588807 345083661 /nfs/dbraw/zinc/08/36/61/345083661.db2.gz SSARZNIBXYZEJJ-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO [NH3+]Cc1nc(OC(F)(F)F)ccc1F ZINC000238594583 345086532 /nfs/dbraw/zinc/08/65/32/345086532.db2.gz NHNRMZZTJCWMAD-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO C[C@H]1CCC[N@@H+]1C1CCN(c2cnccn2)CC1 ZINC000154907721 345056837 /nfs/dbraw/zinc/05/68/37/345056837.db2.gz WEZKPKSHEDEVBN-LBPRGKRZSA-N 1 0 246.358 1.930 10 0 BDAERO Cc1ccc([C@@H](C)N2C[C@H]([NH3+])CC2=O)cc1 ZINC000049559897 178834788 /nfs/dbraw/zinc/83/47/88/178834788.db2.gz AVHGBHDFOKEGDD-ZYHUDNBSSA-N 1 0 218.300 1.616 10 0 BDAERO CC(C)CC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675053998 537890520 /nfs/dbraw/zinc/89/05/20/537890520.db2.gz BQIRTKSZASQSFI-UHFFFAOYSA-N 1 0 240.347 1.012 10 0 BDAERO COc1ccccc1C1=C[C@H](N)C[NH2+]C1 ZINC000675077336 537893904 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345422470 /nfs/dbraw/zinc/42/24/70/345422470.db2.gz CDXWUEFAGCUZJL-HZSPNIEDSA-N 1 0 244.338 1.691 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC2)C1 ZINC000136145338 345480922 /nfs/dbraw/zinc/48/09/22/345480922.db2.gz FIULFIOSYDJNDR-NSHDSACASA-N 1 0 225.336 1.276 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1S(C)(=O)=O ZINC000054930350 345562788 /nfs/dbraw/zinc/56/27/88/345562788.db2.gz WIRDZOQTTQPRJU-BBBLOLIVSA-N 1 0 219.350 1.198 10 0 BDAERO CN(CCC[NH3+])c1nc2c(cccc2F)o1 ZINC000212549644 345739670 /nfs/dbraw/zinc/73/96/70/345739670.db2.gz AROGHAHADVASJR-UHFFFAOYSA-N 1 0 223.251 1.752 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000225635464 345749995 /nfs/dbraw/zinc/74/99/95/345749995.db2.gz KBCAHPSNHQROAZ-GXSJLCMTSA-N 1 0 211.692 1.810 10 0 BDAERO C[C@H](Oc1cc(F)cc(F)c1)C(N)=[NH2+] ZINC000054933206 345720380 /nfs/dbraw/zinc/72/03/80/345720380.db2.gz YEIXIJHGZZVFPX-YFKPBYRVSA-N 1 0 200.188 1.668 10 0 BDAERO CN(CC[NH3+])c1ccnc2c(F)cccc12 ZINC000212274549 345726447 /nfs/dbraw/zinc/72/64/47/345726447.db2.gz QBTDTQGERHWNOS-UHFFFAOYSA-N 1 0 219.263 1.769 10 0 BDAERO Cc1ccc([C@H]2C[NH2+]C[C@H](C(N)=O)C2)cc1 ZINC000082163224 178921979 /nfs/dbraw/zinc/92/19/79/178921979.db2.gz AUOMSSOSEDEQLU-VXGBXAGGSA-N 1 0 218.300 1.173 10 0 BDAERO C[C@@H](C[NH3+])CNc1ccncc1Br ZINC000160027415 345787666 /nfs/dbraw/zinc/78/76/66/345787666.db2.gz GNJAGKSWKJSQFO-ZETCQYMHSA-N 1 0 244.136 1.851 10 0 BDAERO CC(C)([NH3+])C(=O)Cc1c(F)cccc1F ZINC000166785507 345798481 /nfs/dbraw/zinc/79/84/81/345798481.db2.gz HHCPJVDXCMJFCP-UHFFFAOYSA-N 1 0 213.227 1.814 10 0 BDAERO Cc1ccc([C@H]([C@H](C)[NH3+])n2cncn2)cc1 ZINC000042910080 178918060 /nfs/dbraw/zinc/91/80/60/178918060.db2.gz HAMJNTDPYSAGMS-JQWIXIFHSA-N 1 0 216.288 1.523 10 0 BDAERO O[C@H]1Cc2ccccc2C[C@@H]1[NH+]1CCCC1 ZINC000034373089 345822661 /nfs/dbraw/zinc/82/26/61/345822661.db2.gz MTDZUVZPKJFUGP-KBPBESRZSA-N 1 0 217.312 1.611 10 0 BDAERO C[C@H]1C[C@H](N2C(=O)c3ccccc3C2=O)CC[NH2+]1 ZINC000235761978 345852006 /nfs/dbraw/zinc/85/20/06/345852006.db2.gz BXTGJBJFUZQMGV-VHSXEESVSA-N 1 0 244.294 1.423 10 0 BDAERO CN(C)[C@H]1C[NH2+]C[C@@H]1Cc1ccccc1 ZINC000142855120 345864500 /nfs/dbraw/zinc/86/45/00/345864500.db2.gz GWHHWCKWPIVWJM-STQMWFEESA-N 1 0 204.317 1.379 10 0 BDAERO C[C@H](c1cccc2ncccc21)[C@@H](N)C[NH3+] ZINC000141796399 345861389 /nfs/dbraw/zinc/86/13/89/345861389.db2.gz WGOAVGXHEPZJMZ-SKDRFNHKSA-N 1 0 215.300 1.624 10 0 BDAERO CC(C)[C@H]([C@@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000061686345 345824998 /nfs/dbraw/zinc/82/49/98/345824998.db2.gz URNQCTPRKGQLOL-OPRDCNLKSA-N 1 0 219.350 1.041 10 0 BDAERO CN(CC[NH3+])Cc1cncc(-c2cccnc2)c1 ZINC000137011654 345829625 /nfs/dbraw/zinc/82/96/25/345829625.db2.gz AYAOOWNQJDHKCT-UHFFFAOYSA-N 1 0 242.326 1.534 10 0 BDAERO Cc1ccc([C@H]2NC(=O)CC[C@@H]2[NH3+])cc1C ZINC000070647483 178923682 /nfs/dbraw/zinc/92/36/82/178923682.db2.gz SWLOSRWOAMSUSZ-WCQYABFASA-N 1 0 218.300 1.582 10 0 BDAERO CC(C)(C)Nc1cccnc1N1CC[NH2+]CC1 ZINC000034614170 345837679 /nfs/dbraw/zinc/83/76/79/345837679.db2.gz MRCYTVQIYAKOLJ-UHFFFAOYSA-N 1 0 234.347 1.702 10 0 BDAERO O=c1ccc2cc(N3CC[NH2+]CC3)ccc2o1 ZINC000034752115 345840211 /nfs/dbraw/zinc/84/02/11/345840211.db2.gz PNAPEVZJBOBING-UHFFFAOYSA-N 1 0 230.267 1.203 10 0 BDAERO COc1ccc2c(c1)Cc1cnn(C[C@H](C)[NH3+])c1-2 ZINC000143406908 345865326 /nfs/dbraw/zinc/86/53/26/345865326.db2.gz QBBVUZGMSDMERN-VIFPVBQESA-N 1 0 243.310 1.810 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](COCc2ccccc2)CO1 ZINC000143594879 345866191 /nfs/dbraw/zinc/86/61/91/345866191.db2.gz UBILNVRZPUVBHN-KGLIPLIRSA-N 1 0 235.327 1.957 10 0 BDAERO Cc1ccc2c(c1)C(=O)N(C[C@H]([NH3+])C1CC1)C2=O ZINC000104311427 178944177 /nfs/dbraw/zinc/94/41/77/178944177.db2.gz QZKGNJFVHCTZAM-LBPRGKRZSA-N 1 0 244.294 1.328 10 0 BDAERO CC1(C)OC[C@@H]([C@H]2CCCCC[NH2+]2)C1=O ZINC000307498988 537922911 /nfs/dbraw/zinc/92/29/11/537922911.db2.gz GZXBNFIUQZFADR-VHSXEESVSA-N 1 0 211.305 1.513 10 0 BDAERO O=C1c2ccccc2C(=O)N1CC[C@H]1CCC[NH2+]1 ZINC000166928463 345953567 /nfs/dbraw/zinc/95/35/67/345953567.db2.gz WHOKGIHUVUUMFT-SNVBAGLBSA-N 1 0 244.294 1.425 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccnn1C ZINC000235535465 537934938 /nfs/dbraw/zinc/93/49/38/537934938.db2.gz SYDGEACIRQCKGV-GARJFASQSA-N 1 0 223.320 1.374 10 0 BDAERO Cc1cn(CC[NH+]2CCCCC2)nc1N ZINC000723465772 537935217 /nfs/dbraw/zinc/93/52/17/537935217.db2.gz BOZKPWBVYAKSIM-UHFFFAOYSA-N 1 0 208.309 1.260 10 0 BDAERO C[C@@H]1OCC[C@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000148438504 346124447 /nfs/dbraw/zinc/12/44/47/346124447.db2.gz YQEIUSSVCWDZPK-FZMZJTMJSA-N 1 0 245.326 1.365 10 0 BDAERO Cc1nn(CC(F)(F)C[NH3+])c(C)c1C ZINC000685956785 537944058 /nfs/dbraw/zinc/94/40/58/537944058.db2.gz JOZLSJQBIRCLTJ-UHFFFAOYSA-N 1 0 203.236 1.402 10 0 BDAERO Cc1nc(C[C@H](O)[C@H]2CCC[NH2+]2)cs1 ZINC000235946584 346173800 /nfs/dbraw/zinc/17/38/00/346173800.db2.gz WRLVRIRHYHKOSH-ZJUUUORDSA-N 1 0 212.318 1.107 10 0 BDAERO Cc1csc(N2CC[C@@](C)(C[NH3+])C2)n1 ZINC000235947050 346173860 /nfs/dbraw/zinc/17/38/60/346173860.db2.gz ZIZRPQBAQMOQNT-JTQLQIEISA-N 1 0 211.334 1.627 10 0 BDAERO Clc1cncc(NC[C@H]2CCC[NH2+]2)n1 ZINC000034061922 346192411 /nfs/dbraw/zinc/19/24/11/346192411.db2.gz SLXDIMMRQGAAEO-SSDOTTSWSA-N 1 0 212.684 1.294 10 0 BDAERO O=[S@@](c1ccccc1)C1CC[NH2+]CC1 ZINC000034103810 346194578 /nfs/dbraw/zinc/19/45/78/346194578.db2.gz MDRDWCJWPQFHTK-CQSZACIVSA-N 1 0 209.314 1.546 10 0 BDAERO Cc1cccc(=O)n1C[C@@H]([NH3+])C(C)(C)C ZINC000037670146 179003409 /nfs/dbraw/zinc/00/34/09/179003409.db2.gz HXGBJBSMZUSAAY-SNVBAGLBSA-N 1 0 208.305 1.530 10 0 BDAERO Cc1cccc(C(=O)N(CC[NH3+])C(C)C)c1 ZINC000020183210 179006271 /nfs/dbraw/zinc/00/62/71/179006271.db2.gz KDZHAFMRAQNZII-UHFFFAOYSA-N 1 0 220.316 1.804 10 0 BDAERO Cc1cccc(C(=O)N2CCC[N@@H+](C)CC2)c1N ZINC000020217552 179008177 /nfs/dbraw/zinc/00/81/77/179008177.db2.gz DYPLCJUSDHBSKP-UHFFFAOYSA-N 1 0 247.342 1.355 10 0 BDAERO [NH3+][C@H]1C[C@H]1c1occc1Br ZINC000236320441 346224998 /nfs/dbraw/zinc/22/49/98/346224998.db2.gz XRNFERKGTFFQOC-XINAWCOVSA-N 1 0 202.051 1.857 10 0 BDAERO Cc1cccc(=O)n1C[C@H]1CCC[NH2+]C1 ZINC000043472150 179003123 /nfs/dbraw/zinc/00/31/23/179003123.db2.gz NQBROCJXILXQLD-NSHDSACASA-N 1 0 206.289 1.156 10 0 BDAERO O[C@H](c1occc1Br)[C@@H]1CCC[NH2+]1 ZINC000236548425 346248489 /nfs/dbraw/zinc/24/84/89/346248489.db2.gz LFKVGKNYGDOUQU-YUMQZZPRSA-N 1 0 246.104 1.828 10 0 BDAERO CC[C@H](C)n1ncc2c1nc[nH+]c2NN ZINC000669377349 537964245 /nfs/dbraw/zinc/96/42/45/537964245.db2.gz NAMZBPXFYIQJIX-LURJTMIESA-N 1 0 206.253 1.083 10 0 BDAERO Cc1nc2c(cnn2CC(C)C)c(NN)[nH+]1 ZINC000669377627 537964757 /nfs/dbraw/zinc/96/47/57/537964757.db2.gz VJAIOPQYINFOMX-UHFFFAOYSA-N 1 0 220.280 1.076 10 0 BDAERO CC(C)(C[NH3+])[C@](C)(O)COCc1ccccc1 ZINC000669377495 537964763 /nfs/dbraw/zinc/96/47/63/537964763.db2.gz RMKYELLPVLZXMV-CQSZACIVSA-N 1 0 237.343 1.939 10 0 BDAERO CC1(C)CN(CC(F)(F)F)CCC[NH2+]1 ZINC000062570255 346281571 /nfs/dbraw/zinc/28/15/71/346281571.db2.gz PFJPVWNUJGSGHT-UHFFFAOYSA-N 1 0 210.243 1.623 10 0 BDAERO Cc1nc(CC(=O)[C@H]2CCC[NH2+]2)cs1 ZINC000167657044 346298476 /nfs/dbraw/zinc/29/84/76/346298476.db2.gz OMBONWCJSRTGBT-SECBINFHSA-N 1 0 210.302 1.315 10 0 BDAERO CC(C)[C@H](C)C(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669378230 537967174 /nfs/dbraw/zinc/96/71/74/537967174.db2.gz AGENHVIPMVZCLL-GZMMTYOYSA-N 1 0 236.306 1.767 10 0 BDAERO Cc1cccc(C)c1N1C[C@H]([NH3+])CC1=O ZINC000035679878 179039613 /nfs/dbraw/zinc/03/96/13/179039613.db2.gz SIBROWQADOHSED-SNVBAGLBSA-N 1 0 204.273 1.367 10 0 BDAERO Cc1cccc(C)c1NCCN1CC[NH+](C)CC1 ZINC000041300022 179043766 /nfs/dbraw/zinc/04/37/66/179043766.db2.gz LSZJJRIHFRHBGT-UHFFFAOYSA-N 1 0 247.386 1.963 10 0 BDAERO CCC[C@@H](C)C(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669378633 537970913 /nfs/dbraw/zinc/97/09/13/537970913.db2.gz KOFXOHUQXMMYTO-KCJUWKMLSA-N 1 0 236.306 1.911 10 0 BDAERO Cc1cccc(CCC[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185155960 179054785 /nfs/dbraw/zinc/05/47/85/179054785.db2.gz YWKUUTSVGYWJRF-CABCVRRESA-N 1 0 249.354 1.355 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000161586683 346338142 /nfs/dbraw/zinc/33/81/42/346338142.db2.gz JYVPXQGBWCSBJF-NEPJUHHUSA-N 1 0 213.321 1.260 10 0 BDAERO CCSCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161584099 346338261 /nfs/dbraw/zinc/33/82/61/346338261.db2.gz JKKCVGIUJZRDGE-SNVBAGLBSA-N 1 0 203.351 1.444 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NC(C)(C)CCC[NH3+])O1 ZINC000381568755 346368644 /nfs/dbraw/zinc/36/86/44/346368644.db2.gz UQIGTOQHPAQHAO-NXEZZACHSA-N 1 0 228.336 1.188 10 0 BDAERO CCC(C)(C)NC(=O)N1CCC2(C[NH2+]C2)C1 ZINC000675054776 537974294 /nfs/dbraw/zinc/97/42/94/537974294.db2.gz YWQFACSAMDDYQT-UHFFFAOYSA-N 1 0 225.336 1.180 10 0 BDAERO C[C@]([NH3+])(CCNC(=O)C1CCC1)C(F)F ZINC000669379063 537974932 /nfs/dbraw/zinc/97/49/32/537974932.db2.gz VJFPDYSVRMXVOU-JTQLQIEISA-N 1 0 220.263 1.275 10 0 BDAERO CCCC(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669379097 537975309 /nfs/dbraw/zinc/97/53/09/537975309.db2.gz XABBWBDSTUFASQ-VIFPVBQESA-N 1 0 208.252 1.275 10 0 BDAERO Cc1cccc(CN2C[C@@H](C[NH3+])O[C@@H](C)C2)c1 ZINC000071544593 179085144 /nfs/dbraw/zinc/08/51/44/179085144.db2.gz LVYRFDIWWATGGD-GXTWGEPZSA-N 1 0 234.343 1.543 10 0 BDAERO Cc1cccc(CNC(=O)c2ccc(C[NH3+])o2)c1 ZINC000011628019 179088307 /nfs/dbraw/zinc/08/83/07/179088307.db2.gz MKGQWYRIEQSVSD-UHFFFAOYSA-N 1 0 244.294 1.977 10 0 BDAERO Cc1cc(-n2cc(Cl)c(N)n2)cc[nH+]1 ZINC000229582398 346440066 /nfs/dbraw/zinc/44/00/66/346440066.db2.gz JHPJGORQJAGLLN-UHFFFAOYSA-N 1 0 208.652 1.811 10 0 BDAERO [NH3+][C@@H]1CCCN(C2(C(F)(F)F)CC2)C1 ZINC000229755449 346459640 /nfs/dbraw/zinc/45/96/40/346459640.db2.gz ZRCLYXAPULIROR-SSDOTTSWSA-N 1 0 208.227 1.504 10 0 BDAERO CC(C)NC(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669379576 537980562 /nfs/dbraw/zinc/98/05/62/537980562.db2.gz FVUZRROWZFQIQP-VIFPVBQESA-N 1 0 223.267 1.067 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241648 537981900 /nfs/dbraw/zinc/98/19/00/537981900.db2.gz KRPHZGYUOLWOCS-LLVKDONJSA-N 1 0 239.363 1.568 10 0 BDAERO C[NH2+]Cc1cnn(CC[C@H]2COC(C)(C)O2)c1 ZINC000725241810 537982137 /nfs/dbraw/zinc/98/21/37/537982137.db2.gz QTONPCUTUYTZAB-NSHDSACASA-N 1 0 239.319 1.144 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000069909698 349968468 /nfs/dbraw/zinc/96/84/68/349968468.db2.gz GUELJAYSQLZCBR-KXUCPTDWSA-N 1 0 230.377 1.466 10 0 BDAERO Cc1cccc(C[C@H](C[NH3+])C(=O)NC(C)C)c1C ZINC000050304293 179104829 /nfs/dbraw/zinc/10/48/29/179104829.db2.gz INWBHEWQDXITNJ-CQSZACIVSA-N 1 0 248.370 1.945 10 0 BDAERO Cc1cccc(C[C@H]2C[NH2+]CCC2=O)c1 ZINC000071508643 179105591 /nfs/dbraw/zinc/10/55/91/179105591.db2.gz WEPQGWPRUIDLHH-LBPRGKRZSA-N 1 0 203.285 1.716 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000187188780 346558350 /nfs/dbraw/zinc/55/83/50/346558350.db2.gz SIHVTQLSQQCBLT-NEPJUHHUSA-N 1 0 238.335 1.198 10 0 BDAERO N#Cc1ccc(N[C@@H](C[NH3+])C2CCCCC2)nn1 ZINC000396907669 349974723 /nfs/dbraw/zinc/97/47/23/349974723.db2.gz GFMHBKDRZVZAKS-LBPRGKRZSA-N 1 0 245.330 1.090 10 0 BDAERO Cc1cccc(N)c1C(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000042543581 179119178 /nfs/dbraw/zinc/11/91/78/179119178.db2.gz AWGUJQZAYHDQKR-JTQLQIEISA-N 1 0 233.315 1.011 10 0 BDAERO Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CCOC2)c1 ZINC000038094135 179127656 /nfs/dbraw/zinc/12/76/56/179127656.db2.gz XMVCHTZVOLGEEW-LBPRGKRZSA-N 1 0 248.326 1.560 10 0 BDAERO C[C@@H]([NH3+])[C@H](N1CCCCO1)C(F)(F)F ZINC000164196313 346595919 /nfs/dbraw/zinc/59/59/19/346595919.db2.gz MWCYYBMJXPNWCD-RQJHMYQMSA-N 1 0 212.215 1.292 10 0 BDAERO Cc1cnc([C@H]2CN(C)CCN2C)s1 ZINC000164748977 346622922 /nfs/dbraw/zinc/62/29/22/346622922.db2.gz VSEZGBYVTSYCRI-SECBINFHSA-N 1 0 211.334 1.370 10 0 BDAERO Cc1cccc(NC(=O)CSCC[NH3+])c1 ZINC000019475897 179129776 /nfs/dbraw/zinc/12/97/76/179129776.db2.gz AOGRJUOIDKJMKD-UHFFFAOYSA-N 1 0 224.329 1.625 10 0 BDAERO O=C1NCCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000124022813 537984850 /nfs/dbraw/zinc/98/48/50/537984850.db2.gz DZCSZNLBQHFZPO-GHMZBOCLSA-N 1 0 234.299 1.525 10 0 BDAERO COC[C@H](C)NC1=[NH+][C@H](C)C[C@H](C)S1 ZINC000164950336 346634479 /nfs/dbraw/zinc/63/44/79/346634479.db2.gz WADSLHGWFFDWPW-VGMNWLOBSA-N 1 0 216.350 1.881 10 0 BDAERO CSC[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308153301 346706282 /nfs/dbraw/zinc/70/62/82/346706282.db2.gz RWPCZDXXZXMWNO-DTWKUNHWSA-N 1 0 205.367 1.735 10 0 BDAERO CC(C)C1CC2(C1)[NH2+]CCc1ncn(C)c12 ZINC000725242582 537985525 /nfs/dbraw/zinc/98/55/25/537985525.db2.gz ISMKAMAYARIVNS-UHFFFAOYSA-N 1 0 219.332 1.827 10 0 BDAERO CC(C)C[C@@H](C)[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000590000294 346761328 /nfs/dbraw/zinc/76/13/28/346761328.db2.gz XLSHWQNLBLYTOY-OLZOCXBDSA-N 1 0 228.380 1.683 10 0 BDAERO Nc1ccc(C[NH3+])cc1-c1cncnc1 ZINC000669380031 537985882 /nfs/dbraw/zinc/98/58/82/537985882.db2.gz FZMFJCBSHYGGMR-UHFFFAOYSA-N 1 0 200.245 1.185 10 0 BDAERO CCC(F)(F)CN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000641818447 362770643 /nfs/dbraw/zinc/77/06/43/362770643.db2.gz FLLDCGNPNATVEK-NXEZZACHSA-N 1 0 236.306 1.470 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C2CC2)C1 ZINC000062641973 347105344 /nfs/dbraw/zinc/10/53/44/347105344.db2.gz WLKAUSWJKBQQFH-PWSUYJOCSA-N 1 0 239.363 1.568 10 0 BDAERO Cc1cccc(OCCn2cc(C[NH3+])nn2)c1 ZINC000050224735 179169987 /nfs/dbraw/zinc/16/99/87/179169987.db2.gz PUCUALBHNQZWNR-UHFFFAOYSA-N 1 0 232.287 1.124 10 0 BDAERO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]1CO ZINC000378679945 346805451 /nfs/dbraw/zinc/80/54/51/346805451.db2.gz UURWJXCRRDOTSW-XHVZSJERSA-N 1 0 223.291 1.727 10 0 BDAERO Cc1cccc(N[C@]2(CO)CC[N@@H+](C)C2)c1 ZINC000061992122 179158678 /nfs/dbraw/zinc/15/86/78/179158678.db2.gz OBSKNHNXGZKCRO-CYBMUJFWSA-N 1 0 220.316 1.474 10 0 BDAERO Cc1cccc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000051883506 179172336 /nfs/dbraw/zinc/17/23/36/179172336.db2.gz UVOMAUWXFHZIQJ-LLVKDONJSA-N 1 0 206.289 1.911 10 0 BDAERO C1C[C@@H](N2CCC[C@@H]3C[NH2+]C[C@H]32)CS1 ZINC000299893450 347150382 /nfs/dbraw/zinc/15/03/82/347150382.db2.gz LJIXFYUVSQOBFD-GMTAPVOTSA-N 1 0 212.362 1.176 10 0 BDAERO Cc1cccc(O[C@H]2COCC[C@@H]2[NH3+])c1C ZINC000036305698 179175526 /nfs/dbraw/zinc/17/55/26/179175526.db2.gz BMSKRKHOMUHNLG-AAEUAGOBSA-N 1 0 221.300 1.798 10 0 BDAERO CCN(C1C[NH2+]C1)[C@H]1CS[C@H](C)C1 ZINC000250086460 362786414 /nfs/dbraw/zinc/78/64/14/362786414.db2.gz VTCHFBBXFLFJCH-RKDXNWHRSA-N 1 0 200.351 1.174 10 0 BDAERO Cl/C=C/CN1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000221821276 347222485 /nfs/dbraw/zinc/22/24/85/347222485.db2.gz ZXEOCLQAVIMOLO-WMSLEYKJSA-N 1 0 200.713 1.423 10 0 BDAERO Cc1cnc(N)c(C(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000167820295 347227113 /nfs/dbraw/zinc/22/71/13/347227113.db2.gz OMTYTXVNZAZHQO-VIFPVBQESA-N 1 0 207.277 1.138 10 0 BDAERO CC[S@](=O)[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000250257561 362796910 /nfs/dbraw/zinc/79/69/10/362796910.db2.gz XJWNUCIZAIXXDA-ZDMBXUJBSA-N 1 0 203.351 1.661 10 0 BDAERO Cc1cccc([C@H](C)NC(=O)C(C)(C)[NH3+])c1 ZINC000077331324 179194550 /nfs/dbraw/zinc/19/45/50/179194550.db2.gz NDBVNQRCTACUKM-JTQLQIEISA-N 1 0 220.316 1.910 10 0 BDAERO O[C@@H](CCC1(O)CCC1)C[NH+]1CCCC1 ZINC000669380266 537988333 /nfs/dbraw/zinc/98/83/33/537988333.db2.gz WHHXLDITHBDZRF-NSHDSACASA-N 1 0 213.321 1.138 10 0 BDAERO Cc1nc(CN(C)C(=O)[C@H](C)[C@H](C)[NH3+])cs1 ZINC000165392983 133655912 /nfs/dbraw/zinc/65/59/12/133655912.db2.gz GMBGUGJSERMYKC-SFYZADRCSA-N 1 0 241.360 1.393 10 0 BDAERO C[N@@H+]1CCN[C@H]2c3ccccc3CC[C@H]21 ZINC000250390039 362802771 /nfs/dbraw/zinc/80/27/71/362802771.db2.gz PBVULOJRRLHXHG-OLZOCXBDSA-N 1 0 202.301 1.578 10 0 BDAERO C[N@H+](C[C@H]1CCCOC1)[C@H]1CCCC1=O ZINC000250435011 362805195 /nfs/dbraw/zinc/80/51/95/362805195.db2.gz RUXGGFSINMTAHH-MNOVXSKESA-N 1 0 211.305 1.466 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N(CCO)C2CC2)c1 ZINC000042967506 179198240 /nfs/dbraw/zinc/19/82/40/179198240.db2.gz ZWVNYFBKUHYLDB-AWEZNQCLSA-N 1 0 234.343 1.452 10 0 BDAERO Cc1cccc([C@H](C[NH3+])Sc2nnnn2C)c1 ZINC000042969554 179199136 /nfs/dbraw/zinc/19/91/36/179199136.db2.gz NHHVZTNUNCOIID-JTQLQIEISA-N 1 0 249.343 1.311 10 0 BDAERO Cc1cccc([C@H]([NH3+])Cc2ncc[nH]2)c1 ZINC000036946829 179201084 /nfs/dbraw/zinc/20/10/84/179201084.db2.gz VBDYWRCQTQAQKN-LLVKDONJSA-N 1 0 201.273 1.961 10 0 BDAERO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCC(O)CC2)c1 ZINC000042965538 179203558 /nfs/dbraw/zinc/20/35/58/179203558.db2.gz ULPGOYGYUWCLID-WFASDCNBSA-N 1 0 248.370 1.840 10 0 BDAERO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCC[C@H](O)C2)c1 ZINC000042966420 179203758 /nfs/dbraw/zinc/20/37/58/179203758.db2.gz UMJVJPQPRDDAME-QEJZJMRPSA-N 1 0 248.370 1.840 10 0 BDAERO CN(C)C(=O)[C@H]1CCC[NH+]1CC[C@@H]1CCCO1 ZINC000188686766 323142435 /nfs/dbraw/zinc/14/24/35/323142435.db2.gz TXCAZSDDZPVVBR-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO Cc1cccc2c1N(CC1=[NH+]CCN1)CC2 ZINC000211639394 179218426 /nfs/dbraw/zinc/21/84/26/179218426.db2.gz KOBANQMPMMTYCU-UHFFFAOYSA-N 1 0 215.300 1.359 10 0 BDAERO NC[C@H]1CCCC[N@@H+]1[C@H]1CCCSC1 ZINC000250850405 362823580 /nfs/dbraw/zinc/82/35/80/362823580.db2.gz OCLRFILAMODRSO-MNOVXSKESA-N 1 0 214.378 1.695 10 0 BDAERO Cc1ccccc1-c1nc(CC[NH3+])c[nH]1 ZINC000039105030 179238570 /nfs/dbraw/zinc/23/85/70/179238570.db2.gz FUEFWEDOTVUALD-UHFFFAOYSA-N 1 0 201.273 1.886 10 0 BDAERO CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000616568278 347444492 /nfs/dbraw/zinc/44/44/92/347444492.db2.gz AGBREGFCWPWSMO-STQMWFEESA-N 1 0 236.290 1.407 10 0 BDAERO Cc1ccc(F)cc1N1C[C@@H](C[NH3+])OC1=O ZINC000616568524 347447852 /nfs/dbraw/zinc/44/78/52/347447852.db2.gz JWQFLNVAGMFQES-SECBINFHSA-N 1 0 224.235 1.418 10 0 BDAERO Cc1c([C@@H](C)[NH3+])nnn1-c1ccccc1C ZINC000036917128 179243504 /nfs/dbraw/zinc/24/35/04/179243504.db2.gz ATOSMCOZHCSOHB-SECBINFHSA-N 1 0 216.288 1.904 10 0 BDAERO Cc1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000082281693 179248241 /nfs/dbraw/zinc/24/82/41/179248241.db2.gz PADYWMKQSXPART-LBPRGKRZSA-N 1 0 232.327 1.771 10 0 BDAERO Cc1ccccc1C1(N2CC[NH2+]CC2)CC1 ZINC000051943587 179255641 /nfs/dbraw/zinc/25/56/41/179255641.db2.gz IHAQLOWBGUNJJH-UHFFFAOYSA-N 1 0 216.328 1.889 10 0 BDAERO Cc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)on1 ZINC000082462966 347603245 /nfs/dbraw/zinc/60/32/45/347603245.db2.gz XHMXZUJICYNOHX-LLVKDONJSA-N 1 0 221.304 1.263 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000036779344 347578078 /nfs/dbraw/zinc/57/80/78/347578078.db2.gz JQGPMZIHMZDYAL-RYUDHWBXSA-N 1 0 225.288 1.475 10 0 BDAERO COc1c[nH]c(C[NH+]2CCC(C)CC2)cc1=O ZINC000026423555 347601981 /nfs/dbraw/zinc/60/19/81/347601981.db2.gz LELVLJUFKXBNTQ-UHFFFAOYSA-N 1 0 236.315 1.615 10 0 BDAERO CC[NH2+][C@H](CC)c1cn(C2CCOCC2)nn1 ZINC000616569327 347648739 /nfs/dbraw/zinc/64/87/39/347648739.db2.gz JNWVOXPOYPZIFG-LLVKDONJSA-N 1 0 238.335 1.690 10 0 BDAERO Cc1nc(C[NH3+])sc1-c1cncnc1 ZINC000669380866 537991688 /nfs/dbraw/zinc/99/16/88/537991688.db2.gz QVYOPUPNCAHHEH-UHFFFAOYSA-N 1 0 206.274 1.367 10 0 BDAERO CC(C)[N@H+](C[C@@H](C)O)C[C@@H]1CCCN1C ZINC000591918084 347709105 /nfs/dbraw/zinc/70/91/05/347709105.db2.gz ZQVSDLKLPNEWIP-NEPJUHHUSA-N 1 0 214.353 1.172 10 0 BDAERO Cc1ccccc1C[NH2+][C@@H]1CCCNC1=O ZINC000050393902 179282516 /nfs/dbraw/zinc/28/25/16/179282516.db2.gz VNJSPGYXCWOWDX-GFCCVEGCSA-N 1 0 218.300 1.363 10 0 BDAERO CCNc1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000669380815 537992704 /nfs/dbraw/zinc/99/27/04/537992704.db2.gz WZPYCUQDHZVIDL-LBPRGKRZSA-N 1 0 205.305 1.352 10 0 BDAERO Cc1ccccc1N(C)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052542939 179294608 /nfs/dbraw/zinc/29/46/08/179294608.db2.gz FROZUOVZYHJGES-OLZOCXBDSA-N 1 0 234.343 1.938 10 0 BDAERO CC(C)=CC(=O)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000616569607 347806886 /nfs/dbraw/zinc/80/68/86/347806886.db2.gz AVSGOIGBNAKRIB-MNOVXSKESA-N 1 0 208.305 1.306 10 0 BDAERO CC[NH+](CC)[C@@H](c1ccccc1)C(CO)CO ZINC000196151693 347810594 /nfs/dbraw/zinc/81/05/94/347810594.db2.gz FRPMWFDQHYLQPT-AWEZNQCLSA-N 1 0 237.343 1.670 10 0 BDAERO OCC(CO)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000196151711 347810608 /nfs/dbraw/zinc/81/06/08/347810608.db2.gz IVCSPMQFLAKKTF-AWEZNQCLSA-N 1 0 235.327 1.424 10 0 BDAERO Cc1ccccc1C[C@@H](O)C[NH2+]C(C)C ZINC000071510618 179289588 /nfs/dbraw/zinc/28/95/88/179289588.db2.gz BMRGNWJMXYTMRM-CYBMUJFWSA-N 1 0 207.317 1.896 10 0 BDAERO Cc1ccccc1Cc1nc([C@@H](C)[NH3+])no1 ZINC000041052153 179293159 /nfs/dbraw/zinc/29/31/59/179293159.db2.gz FVJYRUWDXLANMH-SECBINFHSA-N 1 0 217.272 1.989 10 0 BDAERO Cc1cccnc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000161871267 362849042 /nfs/dbraw/zinc/84/90/42/362849042.db2.gz YOKJUVPWGLQRTJ-UHFFFAOYSA-N 1 0 231.303 1.224 10 0 BDAERO CC[C@@H]([NH3+])CNc1ccc(Br)cn1 ZINC000082579247 347853647 /nfs/dbraw/zinc/85/36/47/347853647.db2.gz LOMXIKMTOXEYQQ-MRVPVSSYSA-N 1 0 244.136 1.993 10 0 BDAERO COC1=NCCCC[C@H]1C1CC[NH2+]CC1 ZINC000616569948 347880795 /nfs/dbraw/zinc/88/07/95/347880795.db2.gz OZXUJWNMBVHEEL-NSHDSACASA-N 1 0 210.321 1.831 10 0 BDAERO Cc1ccccc1S(=O)(=O)C[C@@H]1CC[NH2+]C1 ZINC000083296146 179313521 /nfs/dbraw/zinc/31/35/21/179313521.db2.gz HVLJFLDJTMTBPO-LLVKDONJSA-N 1 0 239.340 1.378 10 0 BDAERO Cc1ccccc1[C@@H](C)N1C[C@H]([NH3+])CC1=O ZINC000049526774 179317299 /nfs/dbraw/zinc/31/72/99/179317299.db2.gz NKNAUYTWBDGGPV-GHMZBOCLSA-N 1 0 218.300 1.616 10 0 BDAERO C[C@H]1C[C@H](CN2CCOCC2)[NH2+][C@@H](C)C1 ZINC000669381449 537994870 /nfs/dbraw/zinc/99/48/70/537994870.db2.gz KDZZVAZWIAEFCR-GRYCIOLGSA-N 1 0 212.337 1.095 10 0 BDAERO COC(=O)[C@@]1(c2cc(F)ccc2F)CC[NH2+]C1 ZINC000616570251 347966595 /nfs/dbraw/zinc/96/65/95/347966595.db2.gz FVTNTYDRXWNMIJ-LBPRGKRZSA-N 1 0 241.237 1.369 10 0 BDAERO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037163676 348027781 /nfs/dbraw/zinc/02/77/81/348027781.db2.gz DJFIWUAMQIZICV-NWDGAFQWSA-N 1 0 237.347 1.430 10 0 BDAERO Cc1ccccc1[C@@H]1NC(=O)CC[C@@H]1[NH3+] ZINC000057492421 179331800 /nfs/dbraw/zinc/33/18/00/179331800.db2.gz YLFMEIOGDGFVIH-JQWIXIFHSA-N 1 0 204.273 1.273 10 0 BDAERO CN(C(=O)OC1CC1)C1CC[NH+](C)CC1 ZINC000669381617 537996114 /nfs/dbraw/zinc/99/61/14/537996114.db2.gz PMBQVNAAVKVERU-UHFFFAOYSA-N 1 0 212.293 1.311 10 0 BDAERO Cc1ccccc1[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000037459578 179333480 /nfs/dbraw/zinc/33/34/80/179333480.db2.gz YMRZPZUTENGJJZ-CYBMUJFWSA-N 1 0 218.300 1.448 10 0 BDAERO C/C=C(\C)C(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000616570683 348079668 /nfs/dbraw/zinc/07/96/68/348079668.db2.gz HLLAQNMCFUZMLS-XCVCLJGOSA-N 1 0 208.305 1.165 10 0 BDAERO Cc1ccccc1[C@H](CN)[N@@H+]1CCC[C@@H]1CO ZINC000043036035 179341534 /nfs/dbraw/zinc/34/15/34/179341534.db2.gz WBVKKMIBNXMKKY-OCCSQVGLSA-N 1 0 234.343 1.452 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])N1CCC(O)CC1 ZINC000020178952 179341731 /nfs/dbraw/zinc/34/17/31/179341731.db2.gz NSOKMOBKAVFSRG-AWEZNQCLSA-N 1 0 234.343 1.452 10 0 BDAERO Cc1cccnc1-c1nccc(CC[NH3+])n1 ZINC000054833558 179355828 /nfs/dbraw/zinc/35/58/28/179355828.db2.gz SYWNDVLJWFTZDA-UHFFFAOYSA-N 1 0 214.272 1.348 10 0 BDAERO Cc1ccccc1[S@](=O)[C@@H]1CC[NH2+]C1 ZINC000083296180 179351665 /nfs/dbraw/zinc/35/16/65/179351665.db2.gz FXHIYZWOGFEOBJ-YGRLFVJLSA-N 1 0 209.314 1.465 10 0 BDAERO CCc1ccc(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000308602848 323176184 /nfs/dbraw/zinc/17/61/84/323176184.db2.gz OUESRVJGJRCGSE-GZMMTYOYSA-N 1 0 211.330 1.781 10 0 BDAERO C/C=C\C(=O)N1CC[C@H](CC(C)C)[C@H]([NH3+])C1 ZINC000616571056 348095481 /nfs/dbraw/zinc/09/54/81/348095481.db2.gz PAWPFJIVQQTICV-XLMCQVRKSA-N 1 0 224.348 1.784 10 0 BDAERO C/C=C(\C)C(=O)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616571578 348199642 /nfs/dbraw/zinc/19/96/42/348199642.db2.gz MDHDGXPHVRHTGO-WSAUGYEQSA-N 1 0 208.305 1.306 10 0 BDAERO O=C(Cc1ccccc1)N[C@]12CC[C@H]1C[NH2+]C2 ZINC000616571455 348201471 /nfs/dbraw/zinc/20/14/71/348201471.db2.gz GTUUKPUEOJRSCG-JSGCOSHPSA-N 1 0 230.311 1.097 10 0 BDAERO CCSC1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000595260084 348206258 /nfs/dbraw/zinc/20/62/58/348206258.db2.gz UFATYMYRNQBYFG-VHSXEESVSA-N 1 0 242.388 1.516 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000308839379 323179810 /nfs/dbraw/zinc/17/98/10/323179810.db2.gz XYWVOVKKFPPWCO-HBNTYKKESA-N 1 0 215.337 1.144 10 0 BDAERO COC(=O)[C@@]1(C(C)C)O[C@]1(C)CC[NH+](C)C ZINC000669382250 538000393 /nfs/dbraw/zinc/00/03/93/538000393.db2.gz BZGRBRURAZDGAN-VXGBXAGGSA-N 1 0 229.320 1.295 10 0 BDAERO CC(C)(C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000020269658 535072632 /nfs/dbraw/zinc/07/26/32/535072632.db2.gz ONVLTMJQOJHOHZ-UHFFFAOYSA-N 1 0 234.343 1.760 10 0 BDAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCOC1 ZINC000122580648 490152954 /nfs/dbraw/zinc/15/29/54/490152954.db2.gz RRAUVJKXRINSKZ-JHJVBQTASA-N 1 0 227.348 1.816 10 0 BDAERO CC[C@@H]1CC[C@@H](C)[N@@H+]1[C@H](C)C(N)=S ZINC000251462903 362877882 /nfs/dbraw/zinc/87/78/82/362877882.db2.gz AUJZYEXFDXTBJO-IWSPIJDZSA-N 1 0 200.351 1.924 10 0 BDAERO C[C@@H]1C[S@](=O)[C@@H]2CCCC(C)(C)[C@H]2[NH2+]1 ZINC000251678861 362896866 /nfs/dbraw/zinc/89/68/66/362896866.db2.gz HSPKIUXSUDXIII-RBQUTUCGSA-N 1 0 215.362 1.674 10 0 BDAERO CC[C@H]1COCC[N@@H+]1[C@H]1CCCC(=O)C1 ZINC000251558754 362886103 /nfs/dbraw/zinc/88/61/03/362886103.db2.gz BKGPPTOTRRSUBV-QWRGUYRKSA-N 1 0 211.305 1.609 10 0 BDAERO CC[C@@H]1N[C@H](C(=O)OC)CS[C@H]1C ZINC000251567910 362887445 /nfs/dbraw/zinc/88/74/45/362887445.db2.gz IVDGFUSZQHMXKB-FXQIFTODSA-N 1 0 203.307 1.032 10 0 BDAERO C[C@@H]1C[NH2+]CCN1C[C@H]1CCCS1 ZINC000251604236 362889392 /nfs/dbraw/zinc/88/93/92/362889392.db2.gz DFGRGIUPNNHCBN-NXEZZACHSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]1C[C@@](O)(C(C)(C)C[NH3+])C[C@H](C)O1 ZINC000251774979 362911102 /nfs/dbraw/zinc/91/11/02/362911102.db2.gz FFLVKLJSGBXNGS-JZYVYDRUSA-N 1 0 201.310 1.290 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000251784799 362918313 /nfs/dbraw/zinc/91/83/13/362918313.db2.gz WMOIQWWPMWSNTQ-JGVFFNPUSA-N 1 0 216.350 1.160 10 0 BDAERO CC(C)c1nc([C@H]2CC[N@H+](C)C2)cc(=O)[nH]1 ZINC000669382070 538002694 /nfs/dbraw/zinc/00/26/94/538002694.db2.gz FQXNKVRBAGSISM-VIFPVBQESA-N 1 0 221.304 1.725 10 0 BDAERO CSCCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000596006732 348412119 /nfs/dbraw/zinc/41/21/19/348412119.db2.gz ZJUUGLOKQWNJCS-ZCFIWIBFSA-N 1 0 244.282 1.088 10 0 BDAERO CC(C)[C@H]([NH3+])CN1CCSC[C@H]1C ZINC000251813519 362928638 /nfs/dbraw/zinc/92/86/38/362928638.db2.gz OPBGRSYPHXHKTQ-NXEZZACHSA-N 1 0 202.367 1.407 10 0 BDAERO Cc1ccnc([S@@](=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000095069227 179469290 /nfs/dbraw/zinc/46/92/90/179469290.db2.gz MTLNFXKPDLPWAZ-MEBBXXQBSA-N 1 0 224.329 1.107 10 0 BDAERO CC1(C)CCN(c2cc(N)c(N)c[nH+]2)CC1 ZINC000669383063 538007025 /nfs/dbraw/zinc/00/70/25/538007025.db2.gz WVLAQJOIULTOQM-UHFFFAOYSA-N 1 0 220.320 1.872 10 0 BDAERO CSC[C@](C)(O)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597057619 348654023 /nfs/dbraw/zinc/65/40/23/348654023.db2.gz NSVCVIRPCBWMDJ-SDDRHHMPSA-N 1 0 245.388 1.258 10 0 BDAERO [NH3+][C@H]1C[C@@]12CNc1c2c(Cl)ccc1F ZINC000725246933 538009216 /nfs/dbraw/zinc/00/92/16/538009216.db2.gz BHDRKHKJCDAVLQ-OIBJUYFYSA-N 1 0 212.655 1.873 10 0 BDAERO C[C@@]([NH3+])(C(N)=O)c1ccccc1Br ZINC000037460077 348614239 /nfs/dbraw/zinc/61/42/39/348614239.db2.gz BCENPLXHAAKBHL-VIFPVBQESA-N 1 0 243.104 1.108 10 0 BDAERO C[C@@]([NH3+])(C(N)=O)c1ccc(Cl)cc1Cl ZINC000037459993 348614672 /nfs/dbraw/zinc/61/46/72/348614672.db2.gz CXTUEBXFFAQJRZ-VIFPVBQESA-N 1 0 233.098 1.653 10 0 BDAERO CC(C)C(=O)N[C@@H]1CCC[C@@H]2C[NH2+]CC[C@H]12 ZINC000669383341 538010247 /nfs/dbraw/zinc/01/02/47/538010247.db2.gz TVTPQOGOLQNZEB-GRYCIOLGSA-N 1 0 224.348 1.537 10 0 BDAERO Cc1cnc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)s1 ZINC000335597174 179629879 /nfs/dbraw/zinc/62/98/79/179629879.db2.gz NLKDZYZFAYWWQP-BDAKNGLRSA-N 1 0 239.344 1.778 10 0 BDAERO Cc1cnc(Sc2ccc(C[NH3+])cn2)nc1 ZINC000042404841 179645852 /nfs/dbraw/zinc/64/58/52/179645852.db2.gz UTAFCJLVLAORIX-UHFFFAOYSA-N 1 0 232.312 1.790 10 0 BDAERO CC[C@H]1CN(c2nccs2)CC[C@H]1[NH3+] ZINC000251830372 362931677 /nfs/dbraw/zinc/93/16/77/362931677.db2.gz PXVFGFHOKJYXHT-DTWKUNHWSA-N 1 0 211.334 1.707 10 0 BDAERO COc1ccc(OC)c2c1NC[C@]21C[C@H]1[NH3+] ZINC000725247486 538014416 /nfs/dbraw/zinc/01/44/16/538014416.db2.gz OFKMSOPHRVQJRO-SKDRFNHKSA-N 1 0 220.272 1.098 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000054075332 348877780 /nfs/dbraw/zinc/87/77/80/348877780.db2.gz ZGHUOBCTUUQQIQ-YPMHNXCESA-N 1 0 248.326 1.194 10 0 BDAERO CCN(Cc1ccncc1)C(=O)[C@@H](C)[NH2+]C ZINC000054075463 348878022 /nfs/dbraw/zinc/87/80/22/348878022.db2.gz GBTMWYZIGGCIFP-SNVBAGLBSA-N 1 0 221.304 1.038 10 0 BDAERO CC[C@H]1C[N@@H+]([C@H]2CCCC(=O)C2)CCO1 ZINC000251833303 362932523 /nfs/dbraw/zinc/93/25/23/362932523.db2.gz QDJUCBDXOYWWCY-JQWIXIFHSA-N 1 0 211.305 1.609 10 0 BDAERO CCCC[C@H](CC)CNC(=O)[C@@H](C)[NH2+]C ZINC000054076132 348878795 /nfs/dbraw/zinc/87/87/95/348878795.db2.gz NOGMDPZVMQVMBG-MNOVXSKESA-N 1 0 214.353 1.927 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@H]2CCCC(=O)C2)CCO1 ZINC000251833300 362932662 /nfs/dbraw/zinc/93/26/62/362932662.db2.gz QDJUCBDXOYWWCY-CMPLNLGQSA-N 1 0 211.305 1.609 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000054072767 348888434 /nfs/dbraw/zinc/88/84/34/348888434.db2.gz MKACXHZOGKDQEE-MRVPVSSYSA-N 1 0 247.298 1.118 10 0 BDAERO Cc1cnn(CC[N@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000399251697 323201991 /nfs/dbraw/zinc/20/19/91/323201991.db2.gz MTWLTTGOIMIMQK-RYUDHWBXSA-N 1 0 223.320 1.037 10 0 BDAERO CC[C@@H]1COCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290962 348962863 /nfs/dbraw/zinc/96/28/63/348962863.db2.gz NMCKNQNBGNWHJE-VXGBXAGGSA-N 1 0 240.347 1.014 10 0 BDAERO CC(C)C[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290784 348962908 /nfs/dbraw/zinc/96/29/08/348962908.db2.gz VVVDJNYTMNRPDE-VXGBXAGGSA-N 1 0 226.364 1.927 10 0 BDAERO CC(C)C[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290780 348962994 /nfs/dbraw/zinc/96/29/94/348962994.db2.gz VVVDJNYTMNRPDE-NEPJUHHUSA-N 1 0 226.364 1.927 10 0 BDAERO OC[C@@]1(c2cc(F)ccc2F)CC[NH2+]C1 ZINC000616573698 349072097 /nfs/dbraw/zinc/07/20/97/349072097.db2.gz KGFUIWXYOODQDW-LLVKDONJSA-N 1 0 213.227 1.188 10 0 BDAERO CCC(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616574149 349076323 /nfs/dbraw/zinc/07/63/23/349076323.db2.gz XMXKDKAJVXYOKM-SECBINFHSA-N 1 0 206.289 1.733 10 0 BDAERO COC(=O)[C@@]1(c2cc(C)ccc2C)CC[NH2+]C1 ZINC000616574875 349082222 /nfs/dbraw/zinc/08/22/22/349082222.db2.gz ZJVROFRLJOAYBS-AWEZNQCLSA-N 1 0 233.311 1.708 10 0 BDAERO CCC[C@@H](C)C(=O)N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000616571881 349061334 /nfs/dbraw/zinc/06/13/34/349061334.db2.gz IOWICGZJHOTHCB-MXWKQRLJSA-N 1 0 212.337 1.809 10 0 BDAERO [NH3+]Cc1cccc2c1CCCN2C(=O)C1CC1 ZINC000616572618 349061991 /nfs/dbraw/zinc/06/19/91/349061991.db2.gz TWLZVKRKZVMKFD-UHFFFAOYSA-N 1 0 230.311 1.835 10 0 BDAERO COCC(=O)N1CCCc2c(C[NH3+])cccc21 ZINC000616572354 349065662 /nfs/dbraw/zinc/06/56/62/349065662.db2.gz RQJPTYSPNXHISP-UHFFFAOYSA-N 1 0 234.299 1.071 10 0 BDAERO COC(=O)CCCC[N@H+]1C[C@H](N(C)C)[C@@H](C)C1 ZINC000599338201 349150899 /nfs/dbraw/zinc/15/08/99/349150899.db2.gz QMBBPLCGXJWOLM-RYUDHWBXSA-N 1 0 242.363 1.212 10 0 BDAERO [NH3+]Cc1ccc(Br)nc1F ZINC000616578384 349124610 /nfs/dbraw/zinc/12/46/10/349124610.db2.gz NWYAOWJQERJWPO-UHFFFAOYSA-N 1 0 205.030 1.442 10 0 BDAERO CCC[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000616578795 349126994 /nfs/dbraw/zinc/12/69/94/349126994.db2.gz QCURNGHIGKOWQM-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO COc1cccc(O[C@H]2CC[NH2+]CC[C@@H]2O)c1 ZINC000616579289 349130407 /nfs/dbraw/zinc/13/04/07/349130407.db2.gz QAUMPWOJJJMXJJ-STQMWFEESA-N 1 0 237.299 1.187 10 0 BDAERO COC(=O)CCCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000599299942 349141111 /nfs/dbraw/zinc/14/11/11/349141111.db2.gz QKNGMTBQVYBTFW-NSHDSACASA-N 1 0 229.320 1.034 10 0 BDAERO Cc1csc(Cc2noc(C[C@H](C)[NH3+])n2)n1 ZINC000055266306 179781506 /nfs/dbraw/zinc/78/15/06/179781506.db2.gz XESWRAWMBSCVOU-LURJTMIESA-N 1 0 238.316 1.315 10 0 BDAERO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000252691268 349210257 /nfs/dbraw/zinc/21/02/57/349210257.db2.gz XKQSUEXEHQFRTM-GMXVVIOVSA-N 1 0 242.363 1.434 10 0 BDAERO CC1(C)OC[C@@H](C[NH2+]Cc2ccccc2)O1 ZINC000059129955 349203476 /nfs/dbraw/zinc/20/34/76/349203476.db2.gz MORYQQDCTDTLST-GFCCVEGCSA-N 1 0 221.300 1.928 10 0 BDAERO Cc1cc(C(F)F)nc(C[C@H](C)[NH3+])n1 ZINC000616580621 349258925 /nfs/dbraw/zinc/25/89/25/349258925.db2.gz ZGRILKPZZCVELT-YFKPBYRVSA-N 1 0 201.220 1.612 10 0 BDAERO CN(C)c1cc(CC[C@H]2C[NH2+]CCO2)ccn1 ZINC000616580647 349258940 /nfs/dbraw/zinc/25/89/40/349258940.db2.gz YSMJBUZKYIBNFI-LBPRGKRZSA-N 1 0 235.331 1.069 10 0 BDAERO F[C@@H]1COC[C@H]1[NH2+]CCc1ccccc1 ZINC000616581105 349262002 /nfs/dbraw/zinc/26/20/02/349262002.db2.gz FPZSLOPFIWQZGK-VXGBXAGGSA-N 1 0 209.264 1.556 10 0 BDAERO F[C@@H]1COC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000616581463 349264471 /nfs/dbraw/zinc/26/44/71/349264471.db2.gz SLCFSFDBFGCDOB-CHWSQXEVSA-N 1 0 221.275 1.480 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccnn1[C@H](C)CC ZINC000725253693 538038779 /nfs/dbraw/zinc/03/87/79/538038779.db2.gz VXOMTQUZTUVRDM-KOLCDFICSA-N 1 0 211.309 1.497 10 0 BDAERO Cc1nc(CN(C)C(=O)[C@@H]([NH3+])C(C)C)cs1 ZINC000044609752 179944508 /nfs/dbraw/zinc/94/45/08/179944508.db2.gz PFCXMKATAUGWKJ-JTQLQIEISA-N 1 0 241.360 1.393 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)[C@@H]1C ZINC000070619247 350029395 /nfs/dbraw/zinc/02/93/95/350029395.db2.gz JMCSXCIZHQUZIG-WZRBSPASSA-N 1 0 224.348 1.776 10 0 BDAERO c1nc2c(c(N[C@@H]3CCC[NH2+]C3)n1)CCC2 ZINC000070950430 350076137 /nfs/dbraw/zinc/07/61/37/350076137.db2.gz LRPNRDSSKKCRCZ-SECBINFHSA-N 1 0 218.304 1.129 10 0 BDAERO Cc1cc(C[NH2+]C[C@H](O)C(C)(C)C)n(C)n1 ZINC000324548420 323241041 /nfs/dbraw/zinc/24/10/41/323241041.db2.gz UHSRGFGXGGMBCR-NSHDSACASA-N 1 0 225.336 1.225 10 0 BDAERO Cc1nc(CN[C@@H](C[NH+](C)C)C(C)C)oc1C ZINC000049204085 179972216 /nfs/dbraw/zinc/97/22/16/179972216.db2.gz JRFRBAQVTRLZKW-LBPRGKRZSA-N 1 0 239.363 1.967 10 0 BDAERO Cc1nc(C[C@H]2CCCO2)ncc1[C@@H](C)[NH3+] ZINC000054962619 179983537 /nfs/dbraw/zinc/98/35/37/179983537.db2.gz XEQDPFLDUCEFBK-PSASIEDQSA-N 1 0 221.304 1.526 10 0 BDAERO CC(C)CCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559532 490290300 /nfs/dbraw/zinc/29/03/00/490290300.db2.gz FBAWXUGXBYXZDP-GHMZBOCLSA-N 1 0 212.337 1.346 10 0 BDAERO CCc1ccc([C@@H]([NH3+])CC(=O)OC)s1 ZINC000051716745 350066129 /nfs/dbraw/zinc/06/61/29/350066129.db2.gz ILQNYZPBMRZEBN-QMMMGPOBSA-N 1 0 213.302 1.873 10 0 BDAERO C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000070834448 350067963 /nfs/dbraw/zinc/06/79/63/350067963.db2.gz QFIYMSZKYXBEPD-WOPDTQHZSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)(C)OC(=O)N1CC([NH3+])([C@H]2CCCO2)C1 ZINC000725254989 538050128 /nfs/dbraw/zinc/05/01/28/538050128.db2.gz MPACYNPJVLNAEY-SECBINFHSA-N 1 0 242.319 1.114 10 0 BDAERO CC(C)(C)C(=[NH2+])NC[C@@H]1COCCO1 ZINC000062991401 350111895 /nfs/dbraw/zinc/11/18/95/350111895.db2.gz RLMGDJDSXSSBLH-MRVPVSSYSA-N 1 0 200.282 1.015 10 0 BDAERO Cc1nc(N2CCCCC2)sc1C[NH3+] ZINC000045206741 180001303 /nfs/dbraw/zinc/00/13/03/180001303.db2.gz SSSMOQMMHTZINF-UHFFFAOYSA-N 1 0 211.334 1.901 10 0 BDAERO Cc1nc(NCCC(C)C)[nH+]c(NN)c1C ZINC000057331720 180017248 /nfs/dbraw/zinc/01/72/48/180017248.db2.gz ZCAMMAXPJHBPJC-UHFFFAOYSA-N 1 0 223.324 1.837 10 0 BDAERO Cc1nc([C@@H]([NH2+]CCO)C2CC2)sc1C ZINC000045205778 180040915 /nfs/dbraw/zinc/04/09/15/180040915.db2.gz SGSNRLXPPADZFL-JTQLQIEISA-N 1 0 226.345 1.793 10 0 BDAERO Cc1nc([C@H]2[C@@H](C[NH3+])CCN2C)cs1 ZINC000082964339 180058405 /nfs/dbraw/zinc/05/84/05/180058405.db2.gz ZZULXWVXPBMBQU-PSASIEDQSA-N 1 0 211.334 1.403 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000132146320 191025092 /nfs/dbraw/zinc/02/50/92/191025092.db2.gz RUVNLDCXDFOMHF-ZNSHCXBVSA-N 1 0 231.361 1.340 10 0 BDAERO Cc1nc2c(n1Cc1ccccc1)C[NH2+]CC2 ZINC000071494098 180072144 /nfs/dbraw/zinc/07/21/44/180072144.db2.gz SGMRLAOQGNJGSQ-UHFFFAOYSA-N 1 0 227.311 1.886 10 0 BDAERO Cc1nc2cc(Br)ccn2c1C[NH3+] ZINC000082694849 180076535 /nfs/dbraw/zinc/07/65/35/180076535.db2.gz RBVKEPWEPJIAMD-UHFFFAOYSA-N 1 0 240.104 1.864 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC(C)(C)CCCO ZINC000304216612 350145101 /nfs/dbraw/zinc/14/51/01/350145101.db2.gz GLLIETQLMCXGLC-NSHDSACASA-N 1 0 231.380 1.782 10 0 BDAERO Cc1nc2ccccc2n(C[C@@H]2CC[NH2+]C2)c1=O ZINC000052099195 180101779 /nfs/dbraw/zinc/10/17/79/180101779.db2.gz CBXXOXLHSUKOHN-LLVKDONJSA-N 1 0 243.310 1.314 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)s1 ZINC000282365500 180155176 /nfs/dbraw/zinc/15/51/76/180155176.db2.gz NNCOBXPKERJLMP-OIBJUYFYSA-N 1 0 239.344 1.208 10 0 BDAERO C[C@@H](C[NH3+])CNc1ncc(Br)cn1 ZINC000083387663 350192709 /nfs/dbraw/zinc/19/27/09/350192709.db2.gz DKDPFVPTKSSRQL-LURJTMIESA-N 1 0 245.124 1.246 10 0 BDAERO Fc1cc(Cl)cc(NC2=[NH+]CCN2)c1 ZINC000230000966 538069031 /nfs/dbraw/zinc/06/90/31/538069031.db2.gz YUKADTAUKGKATP-UHFFFAOYSA-N 1 0 213.643 1.850 10 0 BDAERO Cc1ncc2c(c1Br)C[NH2+]C2 ZINC000082965685 180175955 /nfs/dbraw/zinc/17/59/55/180175955.db2.gz QGAYHLKMTYPWIV-UHFFFAOYSA-N 1 0 213.078 1.756 10 0 BDAERO Cc1nccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)n1 ZINC000054790187 180190871 /nfs/dbraw/zinc/19/08/71/180190871.db2.gz FOIFTRZWMGSNEZ-CABZTGNLSA-N 1 0 221.304 1.442 10 0 BDAERO Cc1ncc([C@H]2C[NH+]3CCC2CC3)nc1C ZINC000013448175 180176754 /nfs/dbraw/zinc/17/67/54/180176754.db2.gz HZLFTADBJNHGTM-LBPRGKRZSA-N 1 0 217.316 1.903 10 0 BDAERO Cc1nccc(C[NH2+]C(C)(C)CCO)n1 ZINC000125625892 180188350 /nfs/dbraw/zinc/18/83/50/180188350.db2.gz BDEZEBJACJAYHO-UHFFFAOYSA-N 1 0 209.293 1.036 10 0 BDAERO CCOCC1(C)CC[NH+](CCO)CC1 ZINC000144394033 350252539 /nfs/dbraw/zinc/25/25/39/350252539.db2.gz UQQRZKKUUDMNSK-UHFFFAOYSA-N 1 0 201.310 1.117 10 0 BDAERO Cc1nccn1CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000049330236 180260487 /nfs/dbraw/zinc/26/04/87/180260487.db2.gz CAZZULDTTGQSOB-CYBMUJFWSA-N 1 0 248.374 1.265 10 0 BDAERO Cc1nccn1CC[NH2+]CCc1cccnc1 ZINC000049330195 180260656 /nfs/dbraw/zinc/26/06/56/180260656.db2.gz OVFNQTAPJWEUAA-UHFFFAOYSA-N 1 0 230.315 1.419 10 0 BDAERO Cc1nccn1CC[NH2+]CC1CCOCC1 ZINC000082544659 180260738 /nfs/dbraw/zinc/26/07/38/180260738.db2.gz GNNBGGHJKCCVCB-UHFFFAOYSA-N 1 0 223.320 1.208 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CCC[NH2+]C[C@@H]1F ZINC000725262169 538087724 /nfs/dbraw/zinc/08/77/24/538087724.db2.gz ZXTBMZBJOXFOMB-IUCAKERBSA-N 1 0 232.299 1.601 10 0 BDAERO Cc1nsc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000083649201 350268893 /nfs/dbraw/zinc/26/88/93/350268893.db2.gz CPYRKPLLWAVDRZ-SSDOTTSWSA-N 1 0 200.311 1.242 10 0 BDAERO Cc1nccn1Cc1ccccc1C(N)=[NH2+] ZINC000019503916 180269694 /nfs/dbraw/zinc/26/96/94/180269694.db2.gz BWKISYJRBCFCNW-UHFFFAOYSA-N 1 0 214.272 1.524 10 0 BDAERO CN(CC(F)(F)F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000037664432 350286354 /nfs/dbraw/zinc/28/63/54/350286354.db2.gz LRUDURRJVIEBAT-JGVFFNPUSA-N 1 0 210.243 1.750 10 0 BDAERO CC[C@H](c1ccc(O)cc1)N1CC[NH2+]CC1 ZINC000038086651 350304373 /nfs/dbraw/zinc/30/43/73/350304373.db2.gz DLLKUFBVEFCCLF-CYBMUJFWSA-N 1 0 220.316 1.749 10 0 BDAERO COC1(OC)CC[C@@H](CCO)C[C@H]1CC[NH3+] ZINC000725261891 538088114 /nfs/dbraw/zinc/08/81/14/538088114.db2.gz MCDQJVZYFVJYBT-WDEREUQCSA-N 1 0 231.336 1.123 10 0 BDAERO Cc1nccnc1SC[C@@H]1CC[NH2+]C1 ZINC000095068818 180279765 /nfs/dbraw/zinc/27/97/65/180279765.db2.gz JBJVFPBKDRVLJL-SECBINFHSA-N 1 0 209.318 1.487 10 0 BDAERO Cc1nccnc1SC1CC[NH2+]CC1 ZINC000095068811 180280045 /nfs/dbraw/zinc/28/00/45/180280045.db2.gz FNYLGZUKMIAMFN-UHFFFAOYSA-N 1 0 209.318 1.629 10 0 BDAERO Cc1nccnc1SC[C@@H]1CCC[NH2+]C1 ZINC000095068816 180280799 /nfs/dbraw/zinc/28/07/99/180280799.db2.gz SHSZUBVJJMKBPY-SNVBAGLBSA-N 1 0 223.345 1.877 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCOC(F)(F)F ZINC000324314095 350291736 /nfs/dbraw/zinc/29/17/36/350291736.db2.gz FTYKAOZGQXFWPJ-SSDOTTSWSA-N 1 0 229.242 1.519 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000324333876 350293511 /nfs/dbraw/zinc/29/35/11/350293511.db2.gz KTMKUEHMDKEYND-MXWKQRLJSA-N 1 0 215.337 1.287 10 0 BDAERO CC[C@]1([NH3+])CCCN(C(=O)N[C@H](C)C(C)C)C1 ZINC000725264252 538090494 /nfs/dbraw/zinc/09/04/94/538090494.db2.gz RRPKJEWHIVOLCS-YPMHNXCESA-N 1 0 241.379 1.944 10 0 BDAERO O=C(N[C@@H]1CCCC12CC[NH2+]CC2)C1CCC1 ZINC000725264075 538090692 /nfs/dbraw/zinc/09/06/92/538090692.db2.gz IMXCWKQLHMABBJ-GFCCVEGCSA-N 1 0 236.359 1.825 10 0 BDAERO COc1nc(C)ccc1C1CC[NH2+]CC1 ZINC000225279546 350357410 /nfs/dbraw/zinc/35/74/10/350357410.db2.gz IJNWHTNENGNRMC-UHFFFAOYSA-N 1 0 206.289 1.866 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)CO ZINC000037258838 180326387 /nfs/dbraw/zinc/32/63/87/180326387.db2.gz QFWBJCNHNRCQGP-POYBYMJQSA-N 1 0 200.307 1.483 10 0 BDAERO Cc1nn(-c2ccccn2)c(C)c1C[NH3+] ZINC000019424938 180330089 /nfs/dbraw/zinc/33/00/89/180330089.db2.gz OWKOMKDDPORKDX-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO Cc1nn(-c2ncccc2C[NH3+])c(C)c1Cl ZINC000050585723 180332166 /nfs/dbraw/zinc/33/21/66/180332166.db2.gz JTTIRZXXRWAVGW-UHFFFAOYSA-N 1 0 236.706 1.996 10 0 BDAERO CC(C)NC(=O)c1cn[nH]c1[C@@H]1CCCC[NH2+]1 ZINC000725263944 538090765 /nfs/dbraw/zinc/09/07/65/538090765.db2.gz VVKDHAXPVCCSLZ-JTQLQIEISA-N 1 0 236.319 1.363 10 0 BDAERO C[C@@H]1C[C@]2(C[N@@H+]1C)NCC[C@@H](C)S2 ZINC000226163246 350404305 /nfs/dbraw/zinc/40/43/05/350404305.db2.gz JPLHSXSGFLXEGJ-BBBLOLIVSA-N 1 0 200.351 1.522 10 0 BDAERO Cc1nn(C)c(C)c1[C@@H](O)C1CC[NH2+]CC1 ZINC000036906374 180348209 /nfs/dbraw/zinc/34/82/09/180348209.db2.gz KDQUGURWQOGLII-LBPRGKRZSA-N 1 0 223.320 1.070 10 0 BDAERO [NH3+][C@H]1CC=C(C(=O)c2ccccc2F)C1 ZINC000226562716 350440759 /nfs/dbraw/zinc/44/07/59/350440759.db2.gz DPSDELVPBGMLCR-IUCAKERBSA-N 1 0 205.232 1.912 10 0 BDAERO O=Cc1ccc(-c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000725265635 538092814 /nfs/dbraw/zinc/09/28/14/538092814.db2.gz QRFXALQCBXKSPH-UHFFFAOYSA-N 1 0 227.267 1.535 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2cccc(C(N)=O)c2)CC1 ZINC000616592666 350468631 /nfs/dbraw/zinc/46/86/31/350468631.db2.gz FLJYNIPMPVSKAO-GFCCVEGCSA-N 1 0 234.299 1.179 10 0 BDAERO [NH3+]Cc1cc(COc2ccccc2)ncn1 ZINC000409436584 350479524 /nfs/dbraw/zinc/47/95/24/350479524.db2.gz LCZPCYXGLMKPAY-UHFFFAOYSA-N 1 0 215.256 1.514 10 0 BDAERO Nc1cccc(-c2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000725266170 538094067 /nfs/dbraw/zinc/09/40/67/538094067.db2.gz TZQMBTLFPJQFFB-GFCCVEGCSA-N 1 0 243.314 1.452 10 0 BDAERO Cc1nn(CC2CC2)c(C)c1C[C@H](C)[NH3+] ZINC000054741084 180385740 /nfs/dbraw/zinc/38/57/40/180385740.db2.gz ISPRGBPJEMUQLZ-QMMMGPOBSA-N 1 0 207.321 1.800 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000300861350 490571764 /nfs/dbraw/zinc/57/17/64/490571764.db2.gz NREIWWHXPKUASM-RHYQMDGZSA-N 1 0 213.321 1.305 10 0 BDAERO Nc1cccc(-c2cnnn2[C@@H]2CC[NH2+]C2)c1 ZINC000725266130 538094311 /nfs/dbraw/zinc/09/43/11/538094311.db2.gz PFZYCENCUMKPQY-LLVKDONJSA-N 1 0 229.287 1.062 10 0 BDAERO Cc1nn(CCn2ccnc2C)c(C)c1C[NH3+] ZINC000049331273 180389314 /nfs/dbraw/zinc/38/93/14/180389314.db2.gz RYILPKQNWZWNMY-UHFFFAOYSA-N 1 0 233.319 1.164 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000400661083 362963357 /nfs/dbraw/zinc/96/33/57/362963357.db2.gz WNWZYLJURPUZHK-CHWSQXEVSA-N 1 0 227.348 1.650 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000252649654 538096321 /nfs/dbraw/zinc/09/63/21/538096321.db2.gz XJKDCANLBBWNOS-AVGNSLFASA-N 1 0 228.380 1.731 10 0 BDAERO OC[C@@H](CC[NH2+]C1CCCCC1)[C@H]1CCOC1 ZINC000725266765 538096587 /nfs/dbraw/zinc/09/65/87/538096587.db2.gz CDDDLZCFKHFQKM-OLZOCXBDSA-N 1 0 241.375 1.944 10 0 BDAERO Cc1nnc(SCC[C@@H]2CCC[NH2+]C2)o1 ZINC000051920634 180439298 /nfs/dbraw/zinc/43/92/98/180439298.db2.gz RPLCDVFJMQXWLN-VIFPVBQESA-N 1 0 227.333 1.860 10 0 BDAERO OCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)CC1 ZINC000616595014 350598519 /nfs/dbraw/zinc/59/85/19/350598519.db2.gz JDYIWLJQRLBUGW-CYBMUJFWSA-N 1 0 239.290 1.581 10 0 BDAERO Cc1nnc([C@H]2CCCC[NH2+]2)n1C(C)C ZINC000042030998 180447464 /nfs/dbraw/zinc/44/74/64/180447464.db2.gz DHCLWCRJLRXZPY-SNVBAGLBSA-N 1 0 208.309 1.982 10 0 BDAERO CC(C)N(C(=O)O[C@@H]1CCC[NH2+]C1)C(C)C ZINC000231561774 350630543 /nfs/dbraw/zinc/63/05/43/350630543.db2.gz GYUHUXVBQNSVMW-LLVKDONJSA-N 1 0 228.336 1.994 10 0 BDAERO C[N@@H+]1CCOCC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616597643 350653728 /nfs/dbraw/zinc/65/37/28/350653728.db2.gz GOGGUNFSAZOZHN-LBPRGKRZSA-N 1 0 234.299 1.179 10 0 BDAERO [NH3+]CCN1CCOCC[C@H]1c1ccccc1F ZINC000616598113 350655014 /nfs/dbraw/zinc/65/50/14/350655014.db2.gz OOILSCKSGIILLP-ZDUSSCGKSA-N 1 0 238.306 1.548 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1nc(C2CC2)ns1 ZINC000384991740 350704575 /nfs/dbraw/zinc/70/45/75/350704575.db2.gz MQJXBFMJYLMEIY-HTRCEHHLSA-N 1 0 224.333 1.341 10 0 BDAERO CC1CC(c2nc(C3([NH3+])CCC3)no2)C1 ZINC000309508909 350685518 /nfs/dbraw/zinc/68/55/18/350685518.db2.gz WSPOBZLUTLQKQM-UHFFFAOYSA-N 1 0 207.277 1.921 10 0 BDAERO COCC[C@@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000162944329 365990624 /nfs/dbraw/zinc/99/06/24/365990624.db2.gz NYCOOIASHAJPPW-MRVPVSSYSA-N 1 0 212.297 1.069 10 0 BDAERO C[C@H]1CN(C[C@H]2CCCS2)CC[NH2+]1 ZINC000251887392 362975630 /nfs/dbraw/zinc/97/56/30/362975630.db2.gz VGGODLCNOXILKZ-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO CC(C)C(C[NH2+][C@@H]1CCOC[C@@H]1O)C(C)C ZINC000628466686 358457494 /nfs/dbraw/zinc/45/74/94/358457494.db2.gz GPQYZMZHXQPEIJ-OLZOCXBDSA-N 1 0 229.364 1.654 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1cccc(N)c1 ZINC000616599973 350777501 /nfs/dbraw/zinc/77/75/01/350777501.db2.gz UKNGOFMQBPQIID-GFCCVEGCSA-N 1 0 206.289 1.662 10 0 BDAERO CN1CC[NH2+][C@@H](c2cncc3ccccc32)C1 ZINC000616600139 350779444 /nfs/dbraw/zinc/77/94/44/350779444.db2.gz DKSNIJKMGQNOIX-CQSZACIVSA-N 1 0 227.311 1.811 10 0 BDAERO CC(=O)N[C@@H]1CCC[N@@H+](C(C)(C)C)CC1 ZINC000616600843 350780330 /nfs/dbraw/zinc/78/03/30/350780330.db2.gz IDLUQUJMRRCLGF-LLVKDONJSA-N 1 0 212.337 1.776 10 0 BDAERO c1cc2nnccc2c([C@H]2C[NH2+]CCO2)c1 ZINC000616601580 350782258 /nfs/dbraw/zinc/78/22/58/350782258.db2.gz DEVDGRDJPUBMID-GFCCVEGCSA-N 1 0 215.256 1.291 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2ncco2)C1 ZINC000616603258 350788978 /nfs/dbraw/zinc/78/89/78/350788978.db2.gz FEVQPYVUPWGCJQ-JTQLQIEISA-N 1 0 210.277 1.236 10 0 BDAERO Nc1cccc([C@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616603760 350790216 /nfs/dbraw/zinc/79/02/16/350790216.db2.gz HXGWTGRWQIFHQV-ZDUSSCGKSA-N 1 0 234.343 1.831 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2cnco2)CC1 ZINC000616602154 350790662 /nfs/dbraw/zinc/79/06/62/350790662.db2.gz SWRLPMRNYPUAMC-SNVBAGLBSA-N 1 0 209.293 1.203 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2ccccn2)CC1 ZINC000616602051 350790744 /nfs/dbraw/zinc/79/07/44/350790744.db2.gz QMUPQQSOXSTQMX-GFCCVEGCSA-N 1 0 219.332 1.610 10 0 BDAERO CCN1CC[NH2+][C@@H](c2ccccc2NC(C)=O)C1 ZINC000616602247 350791096 /nfs/dbraw/zinc/79/10/96/350791096.db2.gz ZBQZMHOFGJTCIT-CQSZACIVSA-N 1 0 247.342 1.611 10 0 BDAERO OCc1cccc([C@H]2COCCC[NH2+]2)c1 ZINC000616602432 350792097 /nfs/dbraw/zinc/79/20/97/350792097.db2.gz KCOPXSWSECFAHW-GFCCVEGCSA-N 1 0 207.273 1.230 10 0 BDAERO CNc1cccc([C@H]2COCCC[NH2+]2)c1 ZINC000616604723 350793369 /nfs/dbraw/zinc/79/33/69/350793369.db2.gz YYGMSEYIZCJRSU-GFCCVEGCSA-N 1 0 206.289 1.779 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2ccncn2)C1 ZINC000616605046 350794194 /nfs/dbraw/zinc/79/41/94/350794194.db2.gz WHRJADFTGORZGW-NSHDSACASA-N 1 0 220.320 1.005 10 0 BDAERO [NH3+]CCN1CCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616606679 350798145 /nfs/dbraw/zinc/79/81/45/350798145.db2.gz DHBPWRSUCUJGEV-CQSZACIVSA-N 1 0 242.326 1.725 10 0 BDAERO OCC[N@@H+]1CCC[C@H]1c1cc2ccccc2nn1 ZINC000616608421 350804485 /nfs/dbraw/zinc/80/44/85/350804485.db2.gz UOYJMDGLCGKIIX-AWEZNQCLSA-N 1 0 243.310 1.759 10 0 BDAERO OCC[N@@H+]1CCC[C@H]1c1ccc(CO)cc1 ZINC000616608438 350804898 /nfs/dbraw/zinc/80/48/98/350804898.db2.gz VFHLJNAQXZRJCU-ZDUSSCGKSA-N 1 0 221.300 1.308 10 0 BDAERO C[C@@H]1SCC[C@]1(CN)[N@H+](C)C(C)(C)C ZINC000306680078 350834957 /nfs/dbraw/zinc/83/49/57/350834957.db2.gz JPZAOPCUHPRCHZ-GXSJLCMTSA-N 1 0 216.394 1.940 10 0 BDAERO CC[C@@H]1C[S@](=O)[C@H](C)[C@@H](C2CC2)[NH2+]1 ZINC000251922609 362986246 /nfs/dbraw/zinc/98/62/46/362986246.db2.gz YOUQSJDJXZZCOV-PZWLIILKSA-N 1 0 201.335 1.284 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616614574 350835562 /nfs/dbraw/zinc/83/55/62/350835562.db2.gz VKBFJRDGJPHEOF-CQSZACIVSA-N 1 0 235.327 1.698 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Cc1ccoc1 ZINC000306681698 350838330 /nfs/dbraw/zinc/83/83/30/350838330.db2.gz OWYPTPIAKZVULI-ONGXEEELSA-N 1 0 207.273 1.779 10 0 BDAERO C[C@H]1OCC[C@@]1(C)NC(=[NH2+])NCc1ccccc1 ZINC000306695169 350846902 /nfs/dbraw/zinc/84/69/02/350846902.db2.gz USUQVKMIMDLHID-BXUZGUMPSA-N 1 0 247.342 1.868 10 0 BDAERO C[C@@H]1[C@H](C)[NH2+]CCN1[C@@H]1CCSC1 ZINC000306698642 350847765 /nfs/dbraw/zinc/84/77/65/350847765.db2.gz HRDYNHLYDGNTON-IVZWLZJFSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@H]1[C@@H]([NH2+]C2CSC2)CCCN1C ZINC000306700400 350848653 /nfs/dbraw/zinc/84/86/53/350848653.db2.gz FPTAKRDUFMPEQP-WPRPVWTQSA-N 1 0 200.351 1.174 10 0 BDAERO NC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616615861 350849543 /nfs/dbraw/zinc/84/95/43/350849543.db2.gz CRYNCGWYGIKNFB-ZDUSSCGKSA-N 1 0 248.326 1.305 10 0 BDAERO NC(=O)c1ccccc1[C@@H]1CCCCN1CC[NH3+] ZINC000616616453 350854927 /nfs/dbraw/zinc/85/49/27/350854927.db2.gz PMUCNKGITNXBFY-ZDUSSCGKSA-N 1 0 247.342 1.271 10 0 BDAERO OCCc1ccc([C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000616616856 350857606 /nfs/dbraw/zinc/85/76/06/350857606.db2.gz YSVHJUQYGWAYRQ-HNNXBMFYSA-N 1 0 249.354 1.741 10 0 BDAERO C[C@H]1CC([N@H+](C)CCN(C)CCO)C[C@H](C)C1 ZINC000623091036 350864410 /nfs/dbraw/zinc/86/44/10/350864410.db2.gz LGTZVMAUXAYIDJ-CHWSQXEVSA-N 1 0 242.407 1.667 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000252708529 538099566 /nfs/dbraw/zinc/09/95/66/538099566.db2.gz AIHOPASNBMYUIC-VLEAKVRGSA-N 1 0 201.310 1.303 10 0 BDAERO Nc1cccc(C2CC[NH+](CCO)CC2)c1 ZINC000616620370 350939332 /nfs/dbraw/zinc/93/93/32/350939332.db2.gz XSJMDSGIUZDDQF-UHFFFAOYSA-N 1 0 220.316 1.441 10 0 BDAERO [NH3+]C1CN(Cc2csc(Cl)c2)C1 ZINC000306731111 350899278 /nfs/dbraw/zinc/89/92/78/350899278.db2.gz QKURPFUOBUVURY-UHFFFAOYSA-N 1 0 202.710 1.544 10 0 BDAERO C[NH2+][C@@H]1CCN(CC(F)F)[C@H](C)[C@@H]1C ZINC000252721454 350914740 /nfs/dbraw/zinc/91/47/40/350914740.db2.gz NSWBUYZBGSKZBI-DJLDLDEBSA-N 1 0 206.280 1.570 10 0 BDAERO C[C@@H]1CN(C[C@H]2CCCC[NH2+]2)CCS1 ZINC000252981001 350917909 /nfs/dbraw/zinc/91/79/09/350917909.db2.gz PEQSZNXIFZXTMC-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO CNc1ccc([C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616619705 350928235 /nfs/dbraw/zinc/92/82/35/350928235.db2.gz AEAGTUKRHQWXQB-CYBMUJFWSA-N 1 0 234.343 1.900 10 0 BDAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ncnc2ccccc21 ZINC000216187207 350929618 /nfs/dbraw/zinc/92/96/18/350929618.db2.gz KUCNIRPTDAEZHP-GHMZBOCLSA-N 1 0 242.326 1.803 10 0 BDAERO CNc1ccc([C@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616620136 350933770 /nfs/dbraw/zinc/93/37/70/350933770.db2.gz FZSXDDBAPKNDMS-ZDUSSCGKSA-N 1 0 233.359 1.866 10 0 BDAERO CN(CCO)CC[N@H+](C)C1CCCCCC1 ZINC000623091880 350876070 /nfs/dbraw/zinc/87/60/70/350876070.db2.gz YJSZGKCLSLHSJW-UHFFFAOYSA-N 1 0 228.380 1.565 10 0 BDAERO COC(=O)N1CCC[C@@H](c2c[nH]cn2)C1 ZINC000616617952 350879832 /nfs/dbraw/zinc/87/98/32/350879832.db2.gz FTPPCMAOGSDPGR-MRVPVSSYSA-N 1 0 209.249 1.356 10 0 BDAERO CC1(C)C[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CCO1 ZINC000251209009 350892908 /nfs/dbraw/zinc/89/29/08/350892908.db2.gz XCQCHFUSXQXCCJ-IJLUTSLNSA-N 1 0 227.348 1.695 10 0 BDAERO O[C@H](c1ccc(Cl)s1)[C@@H]1C=CC[NH2+]1 ZINC000306725230 350894876 /nfs/dbraw/zinc/89/48/76/350894876.db2.gz KEBCWLRXGPLFJL-RCOVLWMOSA-N 1 0 215.705 1.963 10 0 BDAERO C[C@H]([C@H](C)N)[N@@H+]1CCSCC[C@H]1C ZINC000306756165 350969912 /nfs/dbraw/zinc/96/99/12/350969912.db2.gz RCELMQIBSDNQOL-KXUCPTDWSA-N 1 0 202.367 1.550 10 0 BDAERO C[C@H](CN(C)C)[NH2+]CCOCc1ccccc1 ZINC000306766998 351003028 /nfs/dbraw/zinc/00/30/28/351003028.db2.gz BXZQCQHNVJOQLJ-CYBMUJFWSA-N 1 0 236.359 1.743 10 0 BDAERO [NH3+]C[C@@]1(Cc2cncs2)CCC[C@H]1O ZINC000159810237 351003459 /nfs/dbraw/zinc/00/34/59/351003459.db2.gz YNKHDRBAFSORSI-ZJUUUORDSA-N 1 0 212.318 1.176 10 0 BDAERO CNc1cccc([C@@H]2CCCN(CC[NH3+])C2)c1 ZINC000616621226 351004010 /nfs/dbraw/zinc/00/40/10/351004010.db2.gz QGTRNNNDYXBILT-CYBMUJFWSA-N 1 0 233.359 1.866 10 0 BDAERO [NH3+]C[C@]1(Cc2cncs2)CCCS1 ZINC000159811756 351005326 /nfs/dbraw/zinc/00/53/26/351005326.db2.gz GIDVASXKWJKOBV-SECBINFHSA-N 1 0 214.359 1.910 10 0 BDAERO COc1cc(OC)c([C@@H]([NH3+])CCO)cc1OC ZINC000052126864 350951380 /nfs/dbraw/zinc/95/13/80/350951380.db2.gz YGXFYFMUZWDBNY-VIFPVBQESA-N 1 0 241.287 1.095 10 0 BDAERO O=CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000306774733 351015684 /nfs/dbraw/zinc/01/56/84/351015684.db2.gz KJEDJTDIMCZWLG-RBSFLKMASA-N 1 0 244.338 1.643 10 0 BDAERO Nc1ncc([C@]2(F)CCC[NH2+]CC2)s1 ZINC000159901785 351020462 /nfs/dbraw/zinc/02/04/62/351020462.db2.gz LNLZGCSAQQVGQO-VIFPVBQESA-N 1 0 215.297 1.664 10 0 BDAERO CS[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000382869617 351058759 /nfs/dbraw/zinc/05/87/59/351058759.db2.gz CIUNGMAYLPJXBZ-GRYCIOLGSA-N 1 0 229.389 1.975 10 0 BDAERO CCOC(=O)N1CCC[C@@H](CC[NH3+])CC1 ZINC000616631459 351105413 /nfs/dbraw/zinc/10/54/13/351105413.db2.gz VZMCAWCVBUWFRC-JTQLQIEISA-N 1 0 214.309 1.594 10 0 BDAERO CC(C)[N@@H+]1CCN[C@@H](c2ccc(CCO)cc2)C1 ZINC000616631826 351108405 /nfs/dbraw/zinc/10/84/05/351108405.db2.gz FVZMDVQOAADCSW-OAHLLOKOSA-N 1 0 248.370 1.576 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2ccc(CCO)cc2)C1 ZINC000616631833 351109189 /nfs/dbraw/zinc/10/91/89/351109189.db2.gz GJLSVFLPDPTVKA-CQSZACIVSA-N 1 0 234.343 1.188 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccncn2)C1 ZINC000616632078 351109559 /nfs/dbraw/zinc/10/95/59/351109559.db2.gz LACWPVFOTQJLJP-LLVKDONJSA-N 1 0 220.320 1.221 10 0 BDAERO c1coc([C@@H]2C[N@H+](Cc3ccccc3)CCN2)n1 ZINC000616632097 351109573 /nfs/dbraw/zinc/10/95/73/351109573.db2.gz MOJCXNYCLOGKAH-ZDUSSCGKSA-N 1 0 243.310 1.821 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2ccc(CO)cc2)C1 ZINC000616632690 351112009 /nfs/dbraw/zinc/11/20/09/351112009.db2.gz XOGPIYRGFKIVLT-CYBMUJFWSA-N 1 0 220.316 1.145 10 0 BDAERO c1n[nH]cc1[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000616632907 351113825 /nfs/dbraw/zinc/11/38/25/351113825.db2.gz DMJIMCGHGJIWGP-CQSZACIVSA-N 1 0 242.326 1.556 10 0 BDAERO CC(=O)Nc1ccccc1[C@@H]1CCC[N@@H+]1CCO ZINC000616634551 351117001 /nfs/dbraw/zinc/11/70/01/351117001.db2.gz SVLHFWZLJCFWQS-AWEZNQCLSA-N 1 0 248.326 1.774 10 0 BDAERO Nc1ncccc1[C@H]1CCCCCN1CC[NH3+] ZINC000616623891 351090288 /nfs/dbraw/zinc/09/02/88/351090288.db2.gz LGWGTDGXYGXDHA-GFCCVEGCSA-N 1 0 234.347 1.540 10 0 BDAERO OCC[N@@H+]1CCCCC[C@H]1c1ccncn1 ZINC000616624631 351091741 /nfs/dbraw/zinc/09/17/41/351091741.db2.gz DMLSGYOLTCIASK-LBPRGKRZSA-N 1 0 221.304 1.386 10 0 BDAERO [NH3+]CCN1CCCC[C@@H](Nc2ccccn2)C1 ZINC000616627448 351095422 /nfs/dbraw/zinc/09/54/22/351095422.db2.gz FBCYQOKGQLZWID-GFCCVEGCSA-N 1 0 234.347 1.307 10 0 BDAERO Nc1ncccc1[C@@H]1CCCN(CC[NH3+])CC1 ZINC000616628050 351096442 /nfs/dbraw/zinc/09/64/42/351096442.db2.gz LYNNGZRTCRLHQZ-LLVKDONJSA-N 1 0 234.347 1.192 10 0 BDAERO Nc1cccc([C@H]2CCC[N@H+](CCO)CC2)c1 ZINC000616627718 351096729 /nfs/dbraw/zinc/09/67/29/351096729.db2.gz LJNUSLXRJOXYEK-LBPRGKRZSA-N 1 0 234.343 1.831 10 0 BDAERO Nc1ccccc1[C@H]1CCCC[N@H+](CCO)C1 ZINC000616628604 351098332 /nfs/dbraw/zinc/09/83/32/351098332.db2.gz PHGKPTAUKFQKFW-LBPRGKRZSA-N 1 0 234.343 1.831 10 0 BDAERO C[C@]1(C[NH3+])CCN([C@H]2CCCCC2=O)C1 ZINC000306831062 351146174 /nfs/dbraw/zinc/14/61/74/351146174.db2.gz JYLUDWZVYNGQDS-CMPLNLGQSA-N 1 0 210.321 1.169 10 0 BDAERO COc1cccc([C@@H]2COCCN2CC[NH3+])c1 ZINC000616641282 351147939 /nfs/dbraw/zinc/14/79/39/351147939.db2.gz XNZITWVGQIRCLU-ZDUSSCGKSA-N 1 0 236.315 1.027 10 0 BDAERO CCOC(=O)c1ccccc1[C@H]1C[NH2+]CCO1 ZINC000616644020 351160786 /nfs/dbraw/zinc/16/07/86/351160786.db2.gz BOAXDLHCESUKAL-GFCCVEGCSA-N 1 0 235.283 1.524 10 0 BDAERO C[NH2+][C@H](C)c1nnnn1-c1ccsc1 ZINC000231717894 351163321 /nfs/dbraw/zinc/16/33/21/351163321.db2.gz BKIWISWASLXJSY-ZCFIWIBFSA-N 1 0 209.278 1.004 10 0 BDAERO c1cc2cc([C@H]3C[NH2+]CCO3)ccc2nn1 ZINC000616645108 351166674 /nfs/dbraw/zinc/16/66/74/351166674.db2.gz ZCXKCRWHQNYCER-GFCCVEGCSA-N 1 0 215.256 1.291 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1cccc(N)n1 ZINC000616647373 351167019 /nfs/dbraw/zinc/16/70/19/351167019.db2.gz ZQAKUQAWHRJHOZ-SNVBAGLBSA-N 1 0 207.277 1.057 10 0 BDAERO CCOC(=O)c1ccccc1[C@@H]1COCCC[NH2+]1 ZINC000616645773 351168487 /nfs/dbraw/zinc/16/84/87/351168487.db2.gz AJAWHQNIGOBZPX-ZDUSSCGKSA-N 1 0 249.310 1.914 10 0 BDAERO CNc1ccccc1[C@@H]1COCCCN1CC[NH3+] ZINC000616645919 351169605 /nfs/dbraw/zinc/16/96/05/351169605.db2.gz QRDRUZVNUMMLMO-AWEZNQCLSA-N 1 0 249.358 1.450 10 0 BDAERO CC[N@@H+]1CCCOC[C@@H]1c1ccccc1C(N)=O ZINC000616646621 351171246 /nfs/dbraw/zinc/17/12/46/351171246.db2.gz RNXJNZIXESQCSN-CYBMUJFWSA-N 1 0 248.326 1.569 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2ncco2)C1 ZINC000616650072 351173581 /nfs/dbraw/zinc/17/35/81/351173581.db2.gz SEDGFSIAILQUFE-JTQLQIEISA-N 1 0 210.277 1.846 10 0 BDAERO CC[N@@H+]1CCCO[C@@H](c2ccccn2)C1 ZINC000616653660 351193978 /nfs/dbraw/zinc/19/39/78/351193978.db2.gz SLSZEORHYPELTG-GFCCVEGCSA-N 1 0 206.289 1.865 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2cc[nH]n2)C1 ZINC000616649881 351179929 /nfs/dbraw/zinc/17/99/29/351179929.db2.gz NHJKVVDICQHPMO-NSHDSACASA-N 1 0 223.320 1.972 10 0 BDAERO OCc1ccc([C@H]2C[NH2+]CCCO2)cc1 ZINC000616650659 351184676 /nfs/dbraw/zinc/18/46/76/351184676.db2.gz COOOFGWIXXFBGO-GFCCVEGCSA-N 1 0 207.273 1.230 10 0 BDAERO CC[N@@H+]1CCCO[C@@H](c2cccc(N)n2)C1 ZINC000616653298 351185275 /nfs/dbraw/zinc/18/52/75/351185275.db2.gz LGZDVQHZSKHFHP-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2cccnc2)C1 ZINC000616654056 351194543 /nfs/dbraw/zinc/19/45/43/351194543.db2.gz KWSLLYUZZYMVHI-CYBMUJFWSA-N 1 0 220.316 1.643 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](n2cccn2)C1 ZINC000616652732 351186247 /nfs/dbraw/zinc/18/62/47/351186247.db2.gz JHWUMPFKYKNOCG-LLVKDONJSA-N 1 0 209.293 1.512 10 0 BDAERO OCCc1cccc([C@H]2C[NH2+]CCCO2)c1 ZINC000616651777 351188737 /nfs/dbraw/zinc/18/87/37/351188737.db2.gz RREUBFNIGAPHCP-CYBMUJFWSA-N 1 0 221.300 1.272 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2ncco2)C1 ZINC000616652175 351189963 /nfs/dbraw/zinc/18/99/63/351189963.db2.gz FEVQPYVUPWGCJQ-SNVBAGLBSA-N 1 0 210.277 1.236 10 0 BDAERO c1ccc2nnc([C@H]3C[NH2+]CCCO3)cc2c1 ZINC000616651998 351190037 /nfs/dbraw/zinc/19/00/37/351190037.db2.gz SALGGTKHNWGELI-CYBMUJFWSA-N 1 0 229.283 1.681 10 0 BDAERO CC(C)(C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000616654816 351190842 /nfs/dbraw/zinc/19/08/42/351190842.db2.gz NFWSMJVPWZEQCS-SNVBAGLBSA-N 1 0 233.377 1.684 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1ccnnc1 ZINC000616637342 351132297 /nfs/dbraw/zinc/13/22/97/351132297.db2.gz KUTZEXSIGPHBRG-LLVKDONJSA-N 1 0 220.320 1.221 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cccnn1 ZINC000616637476 351133203 /nfs/dbraw/zinc/13/32/03/351133203.db2.gz NILYGHPPAXDBSY-NSHDSACASA-N 1 0 220.320 1.221 10 0 BDAERO CCN1CCOC[C@@H]1c1cccc(CCO)c1 ZINC000616637596 351134726 /nfs/dbraw/zinc/13/47/26/351134726.db2.gz NUHRBLZJJQOSQU-CQSZACIVSA-N 1 0 235.327 1.615 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1cccc(N)n1 ZINC000616637616 351134755 /nfs/dbraw/zinc/13/47/55/351134755.db2.gz OLZRJCQEVNWGHH-NSHDSACASA-N 1 0 220.320 1.019 10 0 BDAERO CCN1CC[NH2+]C[C@H]1c1cccc(N)c1 ZINC000616637908 351136529 /nfs/dbraw/zinc/13/65/29/351136529.db2.gz RZEARATZBLVWGV-LBPRGKRZSA-N 1 0 205.305 1.235 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](OC(F)(F)F)C1 ZINC000616654902 351191748 /nfs/dbraw/zinc/19/17/48/351191748.db2.gz RLVXDZSLCYXDEP-MRVPVSSYSA-N 1 0 227.226 1.370 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1ncc[nH]1 ZINC000616669657 351229506 /nfs/dbraw/zinc/22/95/06/351229506.db2.gz LAEBLYVKVKPHOK-ZDUSSCGKSA-N 1 0 242.326 1.862 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@H]1O ZINC000252715091 538100101 /nfs/dbraw/zinc/10/01/01/538100101.db2.gz UPIXUFKQAYTCNQ-LNFKQOIKSA-N 1 0 201.310 1.160 10 0 BDAERO OCCN1CCc2ccccc2[C@@H]1c1ccon1 ZINC000616678259 351246194 /nfs/dbraw/zinc/24/61/94/351246194.db2.gz DOJNXKCIKQXXTP-CQSZACIVSA-N 1 0 244.294 1.614 10 0 BDAERO CCOC(=O)c1cccc([C@H]2CN(C)CCO2)c1 ZINC000616678279 351246406 /nfs/dbraw/zinc/24/64/06/351246406.db2.gz WSFYZIUCOAFVMH-CYBMUJFWSA-N 1 0 249.310 1.866 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cc[nH]n1 ZINC000616681406 351249641 /nfs/dbraw/zinc/24/96/41/351249641.db2.gz XRXWBQZCABOSHB-AWEZNQCLSA-N 1 0 242.326 1.316 10 0 BDAERO CCN1C[C@@H](CC[NH3+])Nc2ccccc21 ZINC000616681869 351252142 /nfs/dbraw/zinc/25/21/42/351252142.db2.gz YOZPKGXTANHKFD-SNVBAGLBSA-N 1 0 205.305 1.656 10 0 BDAERO CC(C)N1C[C@H](C[NH3+])Nc2ccccc21 ZINC000616681971 351252214 /nfs/dbraw/zinc/25/22/14/351252214.db2.gz CGVOQXVBAZECAD-JTQLQIEISA-N 1 0 205.305 1.654 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@H]1C(F)F ZINC000616682666 351253589 /nfs/dbraw/zinc/25/35/89/351253589.db2.gz BDTJFLJAFKBENF-JTQLQIEISA-N 1 0 227.258 1.511 10 0 BDAERO [NH3+]CCN1C[C@H](c2cocn2)Nc2ccccc21 ZINC000616684688 351255808 /nfs/dbraw/zinc/25/58/08/351255808.db2.gz MNFPUWFUXJSESZ-LLVKDONJSA-N 1 0 244.298 1.607 10 0 BDAERO COC(=O)N1C[C@@H](CC[NH3+])Nc2ccccc21 ZINC000616686471 351256550 /nfs/dbraw/zinc/25/65/50/351256550.db2.gz MLLRHTVHMLNHLY-SECBINFHSA-N 1 0 235.287 1.402 10 0 BDAERO CCOC(=O)N1c2ccccc2NC[C@@H]1CC[NH3+] ZINC000616685445 351257522 /nfs/dbraw/zinc/25/75/22/351257522.db2.gz UTZAMJNUJIUFJL-JTQLQIEISA-N 1 0 249.314 1.792 10 0 BDAERO Nc1cccc([C@H]2CCOCC[N@@H+]2CCO)c1 ZINC000616656666 351196840 /nfs/dbraw/zinc/19/68/40/351196840.db2.gz XGIXNKVNGBCLGJ-CYBMUJFWSA-N 1 0 236.315 1.025 10 0 BDAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cnno1 ZINC000616656807 351197503 /nfs/dbraw/zinc/19/75/03/351197503.db2.gz OEUXGRBBXLAOGD-VIFPVBQESA-N 1 0 225.292 1.632 10 0 BDAERO C[N@@H+]1CCOC[C@H](c2cccc(CCO)c2)C1 ZINC000616657413 351198897 /nfs/dbraw/zinc/19/88/97/351198897.db2.gz FPOUNBAAXYWOAV-CQSZACIVSA-N 1 0 235.327 1.267 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@H]1c1cccc(N)n1 ZINC000616657873 351200156 /nfs/dbraw/zinc/20/01/56/351200156.db2.gz YJFUHXMVNASFFA-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](n2cccn2)C1 ZINC000616659345 351206864 /nfs/dbraw/zinc/20/68/64/351206864.db2.gz IQRRHWGXZPIHDG-LLVKDONJSA-N 1 0 209.293 1.165 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cccc(N)n2)C1 ZINC000616659929 351208982 /nfs/dbraw/zinc/20/89/82/351208982.db2.gz GUQCTTHZDUJXQC-NSHDSACASA-N 1 0 249.358 1.878 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2cnoc2)C1 ZINC000616661514 351209806 /nfs/dbraw/zinc/20/98/06/351209806.db2.gz TWJUXSGOTKRXST-LLVKDONJSA-N 1 0 210.277 1.499 10 0 BDAERO c1cc2cc([C@@H]3CCOCC[NH2+]3)ccc2nn1 ZINC000616660899 351212993 /nfs/dbraw/zinc/21/29/93/351212993.db2.gz SAUCNSDLIULVNT-LBPRGKRZSA-N 1 0 229.283 1.681 10 0 BDAERO c1ccc2c(c1)nncc2[C@H]1CCOCC[NH2+]1 ZINC000616660767 351213272 /nfs/dbraw/zinc/21/32/72/351213272.db2.gz WWZDOXBJNLFTFG-GFCCVEGCSA-N 1 0 229.283 1.681 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](n2ccnc2)C1 ZINC000616662027 351217644 /nfs/dbraw/zinc/21/76/44/351217644.db2.gz YYKKWIBWMPIKET-LLVKDONJSA-N 1 0 223.320 1.555 10 0 BDAERO c1ccc2c(c1)nncc2[C@@H]1CC[NH2+]CCO1 ZINC000616664620 351219849 /nfs/dbraw/zinc/21/98/49/351219849.db2.gz QIWJGKUXMDMTBZ-ZDUSSCGKSA-N 1 0 229.283 1.681 10 0 BDAERO CC(=O)Nc1ccc([C@H]2CC[NH2+]CCO2)cc1 ZINC000616664501 351220021 /nfs/dbraw/zinc/22/00/21/351220021.db2.gz WLNJKEFQXLKIIQ-CYBMUJFWSA-N 1 0 234.299 1.696 10 0 BDAERO OCCc1ccc([C@@H]2CC[NH2+]CCO2)cc1 ZINC000616664887 351221850 /nfs/dbraw/zinc/22/18/50/351221850.db2.gz DLFFOECKFSXYEA-ZDUSSCGKSA-N 1 0 221.300 1.272 10 0 BDAERO CC(C)(C)[C@@H]1CCN(CC[NH3+])CCO1 ZINC000616665713 351223404 /nfs/dbraw/zinc/22/34/04/351223404.db2.gz UXRYQCPCYVHHGO-JTQLQIEISA-N 1 0 200.326 1.082 10 0 BDAERO CC(C)(C[NH3+])Nc1ncc(Cl)cn1 ZINC000133571192 351298935 /nfs/dbraw/zinc/29/89/35/351298935.db2.gz BJBHJBCFCUBGDZ-UHFFFAOYSA-N 1 0 200.673 1.279 10 0 BDAERO C[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C)CS1 ZINC000306911659 351323541 /nfs/dbraw/zinc/32/35/41/351323541.db2.gz QZJRIVHCGVIOCW-IVZWLZJFSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@@H]1[C@@H](C)CCN1C1(C[NH3+])CSC1 ZINC000306879495 351271421 /nfs/dbraw/zinc/27/14/21/351271421.db2.gz GKCCHKQTCALSEX-DTWKUNHWSA-N 1 0 200.351 1.161 10 0 BDAERO CC(C)(O)C[NH2+]CCCOCC(F)(F)F ZINC000083464593 351368935 /nfs/dbraw/zinc/36/89/35/351368935.db2.gz OEPLHDQYNCXVHR-UHFFFAOYSA-N 1 0 229.242 1.316 10 0 BDAERO C[C@H]1CSC(N[C@H]2CSC2(C)C)=[NH+]1 ZINC000306985507 351402230 /nfs/dbraw/zinc/40/22/30/351402230.db2.gz WKJSBAKOGBOQBI-BQBZGAKWSA-N 1 0 216.375 1.961 10 0 BDAERO O[C@]1(c2sccc2Cl)CC[NH2+]C1 ZINC000228773496 351346549 /nfs/dbraw/zinc/34/65/49/351346549.db2.gz RPWRCBAJUGQAAX-MRVPVSSYSA-N 1 0 203.694 1.582 10 0 BDAERO CCCC[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000034936781 351350291 /nfs/dbraw/zinc/35/02/91/351350291.db2.gz OEXXJNOTMKCMHS-JTQLQIEISA-N 1 0 212.337 1.823 10 0 BDAERO Cn1cc([C@H]([NH3+])c2c(F)cccc2F)cn1 ZINC000034957644 351362778 /nfs/dbraw/zinc/36/27/78/351362778.db2.gz QXSQBDSKDVMZIL-NSHDSACASA-N 1 0 223.226 1.746 10 0 BDAERO Cc1nnsc1CNC1=[NH+]CCS1 ZINC000307053239 351453414 /nfs/dbraw/zinc/45/34/14/351453414.db2.gz 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352089651 /nfs/dbraw/zinc/08/96/51/352089651.db2.gz UDQBODRXSDBVGC-ACDNLYMZSA-N 1 0 201.335 1.142 10 0 BDAERO O[C@H](c1cc(Cl)cs1)[C@H]1C=CC[NH2+]1 ZINC000307345291 352093795 /nfs/dbraw/zinc/09/37/95/352093795.db2.gz NZJBZXRKRMTLLM-APPZFPTMSA-N 1 0 215.705 1.963 10 0 BDAERO C=COc1ccccc1O[C@H](C)C1=[NH+]CCN1 ZINC000073312427 187616359 /nfs/dbraw/zinc/61/63/59/187616359.db2.gz OKXLKFXGMFJJAL-SNVBAGLBSA-N 1 0 232.283 1.978 10 0 BDAERO Cn1cc(C(F)F)c(C2=CC[NH2+]CC2)n1 ZINC000725270477 538102136 /nfs/dbraw/zinc/10/21/36/538102136.db2.gz OJCAEVIKIQHXLW-UHFFFAOYSA-N 1 0 213.231 1.734 10 0 BDAERO CC(C)N(C)c1nc2c(cc1C[NH3+])CCC2 ZINC000043405038 187605788 /nfs/dbraw/zinc/60/57/88/187605788.db2.gz VDWASARGPUSYSE-UHFFFAOYSA-N 1 0 219.332 1.874 10 0 BDAERO Cc1cocc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000638330516 352148460 /nfs/dbraw/zinc/14/84/60/352148460.db2.gz HFWYBBPSXTVQQU-XCBNKYQSSA-N 1 0 208.261 1.007 10 0 BDAERO CC(C)C[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000085790071 187625486 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ZINC000307263298 353064362 /nfs/dbraw/zinc/06/43/62/353064362.db2.gz UYJDRVZMZURINF-BBBLOLIVSA-N 1 0 200.351 1.570 10 0 BDAERO CCC(C)(C)CC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638915699 353074505 /nfs/dbraw/zinc/07/45/05/353074505.db2.gz QUKLCYMTMPYOHC-WDEREUQCSA-N 1 0 226.364 1.866 10 0 BDAERO CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C[NH3+])C1 ZINC000536948270 323950770 /nfs/dbraw/zinc/95/07/70/323950770.db2.gz KKPUGHVSDJAPBW-BXKDBHETSA-N 1 0 244.335 1.360 10 0 BDAERO Cc1occc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638887882 353049533 /nfs/dbraw/zinc/04/95/33/353049533.db2.gz QRQCHWRZYLZSSO-WPRPVWTQSA-N 1 0 222.288 1.255 10 0 BDAERO Cc1ccccc1CC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638885282 353052143 /nfs/dbraw/zinc/05/21/43/353052143.db2.gz MZGBGEOLQMVMOO-GXTWGEPZSA-N 1 0 246.354 1.591 10 0 BDAERO Cc1ccsc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638885990 353052761 /nfs/dbraw/zinc/05/27/61/353052761.db2.gz PWEUYABJNYUWFO-ZJUUUORDSA-N 1 0 238.356 1.723 10 0 BDAERO Cc1ncc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000638892895 353054091 /nfs/dbraw/zinc/05/40/91/353054091.db2.gz KDISPKBJTFUPSP-VXNVDRBHSA-N 1 0 239.344 1.118 10 0 BDAERO CCc1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638893192 353054683 /nfs/dbraw/zinc/05/46/83/353054683.db2.gz MAMJYMFAMUDWFV-DGCLKSJQSA-N 1 0 246.354 1.916 10 0 BDAERO C[C@@H]1C[C@]2([NH2+]CC[C@@H](C)S2)[C@H](C)O1 ZINC000307719798 353108699 /nfs/dbraw/zinc/10/86/99/353108699.db2.gz NTXSLEMYLAWSTA-DOLQZWNJSA-N 1 0 201.335 1.995 10 0 BDAERO [NH3+][C@H](c1ccsn1)[C@@H]1CSCCO1 ZINC000307728397 353114479 /nfs/dbraw/zinc/11/44/79/353114479.db2.gz GFCYSEIPXRVAMX-JGVFFNPUSA-N 1 0 216.331 1.275 10 0 BDAERO O[C@@]12CCCC[C@@H]1CN(Cc1ncc[nH]1)CC2 ZINC000140429501 353124807 /nfs/dbraw/zinc/12/48/07/353124807.db2.gz QAFHVVBMQPQGTI-DGCLKSJQSA-N 1 0 235.331 1.537 10 0 BDAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccnc2cccnc21 ZINC000379099227 353133738 /nfs/dbraw/zinc/13/37/38/353133738.db2.gz DNMSDHFPSNYSQS-ZJUUUORDSA-N 1 0 230.315 1.589 10 0 BDAERO CC(C)([NH3+])CO[C@H]1CCCCC[C@@H]1O ZINC000232574178 353136381 /nfs/dbraw/zinc/13/63/81/353136381.db2.gz BDZVCXFDQPIXLQ-UWVGGRQHSA-N 1 0 201.310 1.434 10 0 BDAERO CC(C)[NH2+][C@]1(C(N)=O)C[C@H](C)C[C@H](C)C1 ZINC000252187574 363204984 /nfs/dbraw/zinc/20/49/84/363204984.db2.gz UNCFOJUWBYJRNM-PEGIJTEDSA-N 1 0 212.337 1.665 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H](N2CCC2)C1 ZINC000536957667 323968315 /nfs/dbraw/zinc/96/83/15/323968315.db2.gz CVFGRNLJPWBMJU-QWRGUYRKSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)c1ccccc1 ZINC000143069695 353156123 /nfs/dbraw/zinc/15/61/23/353156123.db2.gz LGDKQHGFWOMPFQ-GXSJLCMTSA-N 1 0 220.272 1.446 10 0 BDAERO FC(F)(F)C1(C(F)(F)F)[C@@H]2C[NH2+]C[C@@H]21 ZINC000057218794 180878313 /nfs/dbraw/zinc/87/83/13/180878313.db2.gz VSNWBMDUPGMOND-ZXZARUISSA-N 1 0 219.128 1.947 10 0 BDAERO FC(F)(F)N(CC1CC[NH2+]CC1)C1CC1 ZINC000095076949 180886745 /nfs/dbraw/zinc/88/67/45/180886745.db2.gz HVTBDRWUHQLIEU-UHFFFAOYSA-N 1 0 222.254 1.970 10 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COc1ccc([C@H](C)NC(N)=[NH2+])cc1OC ZINC000052020295 188258779 /nfs/dbraw/zinc/25/87/79/188258779.db2.gz LWUZHDBGKGNAFL-ZETCQYMHSA-N 1 0 223.276 1.248 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccnn1C ZINC000037167266 188254673 /nfs/dbraw/zinc/25/46/73/188254673.db2.gz JHOZBPLNQKNBSF-GFCCVEGCSA-N 1 0 238.379 1.486 10 0 BDAERO CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000199661120 188258877 /nfs/dbraw/zinc/25/88/77/188258877.db2.gz WNYDQNWUSLFCGX-RYUDHWBXSA-N 1 0 210.321 1.530 10 0 BDAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cocn1 ZINC000276959866 188266688 /nfs/dbraw/zinc/26/66/88/188266688.db2.gz CZDQVOWTFOZHAC-PWSUYJOCSA-N 1 0 224.304 1.825 10 0 BDAERO CC(C)([NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000082533866 188270551 /nfs/dbraw/zinc/27/05/51/188270551.db2.gz VZMSMBZHAHRACO-UHFFFAOYSA-N 1 0 213.302 1.284 10 0 BDAERO CC(C)[C@H](NC(=O)C[NH3+])c1cccs1 ZINC000035052197 188274522 /nfs/dbraw/zinc/27/45/22/188274522.db2.gz AWICPXYNHHUMAF-JTQLQIEISA-N 1 0 212.318 1.520 10 0 BDAERO CC(C)(C)c1nc([C@@](C)([NH3+])C2CC2)no1 ZINC000036764521 188278964 /nfs/dbraw/zinc/27/89/64/188278964.db2.gz XMYVYAAKANKDCS-NSHDSACASA-N 1 0 209.293 1.951 10 0 BDAERO Cc1cccc(S(=O)(=O)[C@@H](C)C[NH3+])c1 ZINC000011896621 188279143 /nfs/dbraw/zinc/27/91/43/188279143.db2.gz PDWGRFFVBXHVEX-VIFPVBQESA-N 1 0 213.302 1.116 10 0 BDAERO CC(=O)CC(=O)NCc1ccccc1C[NH+](C)C ZINC000019411408 188280878 /nfs/dbraw/zinc/28/08/78/188280878.db2.gz UJNUIZJMAGBSNY-UHFFFAOYSA-N 1 0 248.326 1.344 10 0 BDAERO CC(=O)Nc1ccc(C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000019420980 188281138 /nfs/dbraw/zinc/28/11/38/188281138.db2.gz WONMIMPHSSFHPS-LBPRGKRZSA-N 1 0 246.310 1.827 10 0 BDAERO Cc1cccc(Cc2nnc(CCC[NH3+])o2)c1 ZINC000019733072 188281358 /nfs/dbraw/zinc/28/13/58/188281358.db2.gz JIZGCJQWITWXFV-UHFFFAOYSA-N 1 0 231.299 1.860 10 0 BDAERO CC(C)([NH3+])[C@H](O)c1ccc2c(c1)OCCO2 ZINC000019684267 188281397 /nfs/dbraw/zinc/28/13/97/188281397.db2.gz MLQCTBMCFLYNPY-LLVKDONJSA-N 1 0 223.272 1.229 10 0 BDAERO [NH3+]Cc1ccccc1OCc1ncon1 ZINC000037699007 188282071 /nfs/dbraw/zinc/28/20/71/188282071.db2.gz VEXXTBNXZAUVSQ-UHFFFAOYSA-N 1 0 205.217 1.107 10 0 BDAERO [NH3+]Cc1ccccc1O[C@H]1CCC[C@H]1O ZINC000037698947 188282239 /nfs/dbraw/zinc/28/22/39/188282239.db2.gz IFKQLANDKDVMAY-PWSUYJOCSA-N 1 0 207.273 1.438 10 0 BDAERO C/C=C/C=C/C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038049135 188283217 /nfs/dbraw/zinc/28/32/17/188283217.db2.gz ATZVIVNZIGCZBS-DMZXDNFQSA-N 1 0 208.305 1.505 10 0 BDAERO CC(C)(C)[NH+]1CCN(c2cccccc2=O)CC1 ZINC000027992120 188283749 /nfs/dbraw/zinc/28/37/49/188283749.db2.gz MUWUINPEBHQZDX-UHFFFAOYSA-N 1 0 246.354 1.967 10 0 BDAERO Cc1ccc(CCC(=O)NCC[NH+](C)C)cc1N ZINC000032104831 188284331 /nfs/dbraw/zinc/28/43/31/188284331.db2.gz GASZIDLZPVISRZ-UHFFFAOYSA-N 1 0 249.358 1.188 10 0 BDAERO CC(C)N(C)C(=O)C[NH2+][C@@H](C)c1ccncc1 ZINC000035125258 188284784 /nfs/dbraw/zinc/28/47/84/188284784.db2.gz ZTZQYJIVPYLLCD-NSHDSACASA-N 1 0 235.331 1.599 10 0 BDAERO CC(C)N(C)C(=O)C[NH2+][C@H](C)c1ccncc1 ZINC000035125260 188285242 /nfs/dbraw/zinc/28/52/42/188285242.db2.gz ZTZQYJIVPYLLCD-LLVKDONJSA-N 1 0 235.331 1.599 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1OCc1ncon1 ZINC000037697754 188287458 /nfs/dbraw/zinc/28/74/58/188287458.db2.gz VMUYOXILSQLJBY-MRVPVSSYSA-N 1 0 219.244 1.668 10 0 BDAERO CC1(C)C[C@]2(CCS1)C[NH2+]CCN2 ZINC000039393173 188291900 /nfs/dbraw/zinc/29/19/00/188291900.db2.gz ZSURYFWAAAIHGK-SNVBAGLBSA-N 1 0 200.351 1.224 10 0 BDAERO CC[C@@]1(C)C[C@@]2(CCS1)C[NH2+]CCN2 ZINC000039393175 188291906 /nfs/dbraw/zinc/29/19/06/188291906.db2.gz XCIXVAUMIGROCR-QWRGUYRKSA-N 1 0 214.378 1.614 10 0 BDAERO CCc1cccc(CC)c1NC(=O)C[NH3+] ZINC000004201712 188292555 /nfs/dbraw/zinc/29/25/55/188292555.db2.gz NXCNEIVTXXRMOY-UHFFFAOYSA-N 1 0 206.289 1.709 10 0 BDAERO CC(C)Cc1nc(N(C)C)sc1C[NH3+] ZINC000082371441 188293523 /nfs/dbraw/zinc/29/35/23/188293523.db2.gz KRRIKQGVUDFKHJ-UHFFFAOYSA-N 1 0 213.350 1.866 10 0 BDAERO CC(=O)N1CCC[N@H+](Cc2ccccc2N)CC1 ZINC000042614093 188294567 /nfs/dbraw/zinc/29/45/67/188294567.db2.gz WZGHMGJVAOBSAT-UHFFFAOYSA-N 1 0 247.342 1.323 10 0 BDAERO CC(C)(C)[C@H](C[NH3+])Sc1nc(N)cc(N)n1 ZINC000043297913 188295398 /nfs/dbraw/zinc/29/53/98/188295398.db2.gz PCBXNLAZZHWATA-LURJTMIESA-N 1 0 241.364 1.107 10 0 BDAERO CC(C)CNC(=O)[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000049557806 188298578 /nfs/dbraw/zinc/29/85/78/188298578.db2.gz NLMDVEGOYMEWAH-RYUDHWBXSA-N 1 0 243.395 1.077 10 0 BDAERO CC(C)(C)c1csc(NC(=O)C[NH3+])n1 ZINC000049499967 188298699 /nfs/dbraw/zinc/29/86/99/188298699.db2.gz FFRTWRBNVCPXKZ-UHFFFAOYSA-N 1 0 213.306 1.338 10 0 BDAERO Cc1cccc(CCN2C[C@@H]([NH3+])CC2=O)c1 ZINC000051670790 188299522 /nfs/dbraw/zinc/29/95/22/188299522.db2.gz CAGMXTCXJFJBQG-LBPRGKRZSA-N 1 0 218.300 1.097 10 0 BDAERO Cn1cc(C[NH2+][C@@H]2C[C@@H]2c2ccccc2)nn1 ZINC000054861034 188300708 /nfs/dbraw/zinc/30/07/08/188300708.db2.gz JPUVKEOGBLCCDG-CHWSQXEVSA-N 1 0 228.299 1.461 10 0 BDAERO [NH3+]Cc1ccccc1CNC(=O)c1cccnc1 ZINC000061841091 188302172 /nfs/dbraw/zinc/30/21/72/188302172.db2.gz LJHOUJJWDHOJBA-UHFFFAOYSA-N 1 0 241.294 1.470 10 0 BDAERO CC(C)[N@@H+]1CCNC[C@@H]1Cc1ccccc1 ZINC000062609033 188303156 /nfs/dbraw/zinc/30/31/56/188303156.db2.gz WYALYRGRHIBIHO-AWEZNQCLSA-N 1 0 218.344 1.911 10 0 BDAERO Cc1ccc(CC(=O)NCC[C@@H](C)[NH3+])cc1C ZINC000063170028 188303958 /nfs/dbraw/zinc/30/39/58/188303958.db2.gz DKMACYRWQXJABX-GFCCVEGCSA-N 1 0 234.343 1.699 10 0 BDAERO CC(C)Cn1ccnc(NCC[C@@H](C)[NH3+])c1=O ZINC000063171390 188303993 /nfs/dbraw/zinc/30/39/93/188303993.db2.gz SFQILXRVTKCFHD-SNVBAGLBSA-N 1 0 238.335 1.049 10 0 BDAERO CC(C)C[C@@H](C)N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062895119 188304013 /nfs/dbraw/zinc/30/40/13/188304013.db2.gz YXKUNIYPIMVJCM-DGCLKSJQSA-N 1 0 226.364 1.879 10 0 BDAERO CC(C)Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000072236836 188307013 /nfs/dbraw/zinc/30/70/13/188307013.db2.gz KZXYXTBTESLQJT-UHFFFAOYSA-N 1 0 208.309 1.470 10 0 BDAERO CC(C)c1nc([C@@H]2COC[C@H]2[NH3+])cs1 ZINC000165346931 353306837 /nfs/dbraw/zinc/30/68/37/353306837.db2.gz HXJCAVSDWVXFKK-HTQZYQBOSA-N 1 0 212.318 1.708 10 0 BDAERO CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000095938231 188321469 /nfs/dbraw/zinc/32/14/69/188321469.db2.gz ZSKLMVSQCKNENQ-UHFFFAOYSA-N 1 0 244.338 1.741 10 0 BDAERO CC(=O)[C@@H]1[C@@H](c2ccccc2)[NH2+]CCN1C ZINC000098181195 188322416 /nfs/dbraw/zinc/32/24/16/188322416.db2.gz QTDQWURQPARVOC-CHWSQXEVSA-N 1 0 218.300 1.220 10 0 BDAERO C1=[NH+][C@H]2CCCC[C@H]2NC2=C1N1CCC2CC1 ZINC000100903648 188322773 /nfs/dbraw/zinc/32/27/73/188322773.db2.gz LEOWMPKJHUXVMG-NWDGAFQWSA-N 1 0 231.343 1.909 10 0 BDAERO C(CN1CCCSCC1)[NH2+]C1CC1 ZINC000042444536 188323490 /nfs/dbraw/zinc/32/34/90/188323490.db2.gz PXFMMZIVYTYPMZ-UHFFFAOYSA-N 1 0 200.351 1.177 10 0 BDAERO CCOC(=O)C[C@H](C)N1CC[N@H+](C)[C@H](CC)C1 ZINC000104126039 188323772 /nfs/dbraw/zinc/32/37/72/188323772.db2.gz BKTDMVJCKHMGSX-NWDGAFQWSA-N 1 0 242.363 1.354 10 0 BDAERO CC(C)CNC(=O)[C@H](CC[NH3+])c1ccco1 ZINC000076611709 188309634 /nfs/dbraw/zinc/30/96/34/188309634.db2.gz NNMNZDFFZSEAAF-SNVBAGLBSA-N 1 0 224.304 1.484 10 0 BDAERO COc1cc(C)cc(C)c1CCOCC[NH3+] ZINC000077336060 188310527 /nfs/dbraw/zinc/31/05/27/188310527.db2.gz ULTBYSBOEASDMC-UHFFFAOYSA-N 1 0 223.316 1.830 10 0 BDAERO CC(C)[C@@H]1CN(Cc2ccncc2)CC[NH2+]1 ZINC000082925378 188314379 /nfs/dbraw/zinc/31/43/79/188314379.db2.gz PWGBIDGVOVTLTQ-ZDUSSCGKSA-N 1 0 219.332 1.511 10 0 BDAERO C1CSCCOCCSCC[NH2+]1 ZINC000138026901 188318899 /nfs/dbraw/zinc/31/88/99/188318899.db2.gz TWXISWZVCABCLG-UHFFFAOYSA-N 1 0 207.364 1.073 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@H]2OCCC[C@H]21 ZINC000091304436 188319268 /nfs/dbraw/zinc/31/92/68/188319268.db2.gz NJLKXALZQYGBFI-OPRDCNLKSA-N 1 0 242.319 1.112 10 0 BDAERO CN(C)c1ccc(OC2CC2)c(N(C)C)[nH+]1 ZINC000095721771 188320429 /nfs/dbraw/zinc/32/04/29/188320429.db2.gz OIPGKLCZIMBHMC-UHFFFAOYSA-N 1 0 221.304 1.755 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H](Nc2ccn(C)n2)C1 ZINC000045654758 188325624 /nfs/dbraw/zinc/32/56/24/188325624.db2.gz AYXGLFBULKABMY-SNVBAGLBSA-N 1 0 208.309 1.315 10 0 BDAERO Cc1cccc2[nH]c([C@@H]([NH3+])[C@H](C)O)nc21 ZINC000043598376 188326427 /nfs/dbraw/zinc/32/64/27/188326427.db2.gz UXYSKTXTSZPJDC-CBAPKCEASA-N 1 0 205.261 1.252 10 0 BDAERO [NH3+][C@@H](C[C@H]1CCCO1)c1cncc(F)c1 ZINC000049576222 188327383 /nfs/dbraw/zinc/32/73/83/188327383.db2.gz CVDUFOGVSJSIHO-MNOVXSKESA-N 1 0 210.252 1.790 10 0 BDAERO C[NH2+]Cc1ccc(-n2ccc(C)n2)cc1 ZINC000052884733 188333405 /nfs/dbraw/zinc/33/34/05/188333405.db2.gz MYCBMZXSDLUYAE-UHFFFAOYSA-N 1 0 201.273 1.900 10 0 BDAERO Cc1c[nH+]c(N)n1Cc1ncc(Cl)s1 ZINC000223204137 353348970 /nfs/dbraw/zinc/34/89/70/353348970.db2.gz DSVZDNIEXAUDJK-UHFFFAOYSA-N 1 0 228.708 1.932 10 0 BDAERO CC(C)(C)[C@@H]1CCc2[nH+]c(N)nc(N)c2C1 ZINC000005881944 188337064 /nfs/dbraw/zinc/33/70/64/188337064.db2.gz ZNQWFSHAFZBMJV-SSDOTTSWSA-N 1 0 220.320 1.792 10 0 BDAERO COc1ccc(C[C@H](C)[NH3+])c(OC)c1C ZINC000006069028 188337916 /nfs/dbraw/zinc/33/79/16/188337916.db2.gz XCEORCNVPWLEAY-QMMMGPOBSA-N 1 0 209.289 1.902 10 0 BDAERO COc1ccc(C[C@@H]2CC[NH2+]C2)cc1F ZINC000057939070 188357038 /nfs/dbraw/zinc/35/70/38/188357038.db2.gz DGUHCPBDRNRLLY-JTQLQIEISA-N 1 0 209.264 1.986 10 0 BDAERO c1cc(C2=CCC[C@@H]3CC[C@H]2[NH2+]3)cnn1 ZINC000013472628 188343055 /nfs/dbraw/zinc/34/30/55/188343055.db2.gz SAOUDQKVCQGQDK-ZYHUDNBSSA-N 1 0 201.273 1.774 10 0 BDAERO CCC[N@H+](C[C@@H](O)C(C)(C)C)CC(C)(C)O ZINC000336663161 188358429 /nfs/dbraw/zinc/35/84/29/188358429.db2.gz AQUFPPCODRQPLW-LLVKDONJSA-N 1 0 231.380 1.876 10 0 BDAERO C(c1noc(C2CC2)n1)[C@H]1CCC[NH2+]C1 ZINC000060394281 188360409 /nfs/dbraw/zinc/36/04/09/188360409.db2.gz GRGOJLGWMXYOFU-MRVPVSSYSA-N 1 0 207.277 1.489 10 0 BDAERO CC(C)COC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000062571490 188361003 /nfs/dbraw/zinc/36/10/03/188361003.db2.gz FURZYKNURRTNAU-ZJUUUORDSA-N 1 0 214.309 1.461 10 0 BDAERO CC(C)[C@@H]([NH3+])c1noc(-c2cn[nH]c2)n1 ZINC000062779883 188361200 /nfs/dbraw/zinc/36/12/00/188361200.db2.gz QQXNGRZPVYIMKZ-SSDOTTSWSA-N 1 0 207.237 1.116 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000122696811 188363053 /nfs/dbraw/zinc/36/30/53/188363053.db2.gz LOXYLTOTBNBRNI-UWVGGRQHSA-N 1 0 208.309 1.747 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]2Cc3ccccc3C(=O)N21 ZINC000096908033 188366440 /nfs/dbraw/zinc/36/64/40/188366440.db2.gz WDTWEKIOAKMJSH-GXSJLCMTSA-N 1 0 216.284 1.045 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cscc1Cl ZINC000308417239 538116686 /nfs/dbraw/zinc/11/66/86/538116686.db2.gz RGFFWSBJUJJCBR-IMTBSYHQSA-N 1 0 217.721 1.872 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2nccn2C)C[C@H](C)O1 ZINC000341471768 188397941 /nfs/dbraw/zinc/39/79/41/188397941.db2.gz UGJYQGOEMRWGIY-QWRGUYRKSA-N 1 0 237.347 1.713 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2cnccn2)C1 ZINC000309036917 491051843 /nfs/dbraw/zinc/05/18/43/491051843.db2.gz IQTUWOWTEAOWCX-NXEZZACHSA-N 1 0 206.293 1.229 10 0 BDAERO CCN(CC[NH3+])c1cc(C)ncc1C#N ZINC000398995528 353495773 /nfs/dbraw/zinc/49/57/73/353495773.db2.gz ONIXAKKYJBDXKN-UHFFFAOYSA-N 1 0 204.277 1.047 10 0 BDAERO CC[C@@H]1CN(c2ccncc2C#N)CC[C@@H]1[NH3+] ZINC000398997918 353496858 /nfs/dbraw/zinc/49/68/58/353496858.db2.gz QNQDJZYPICAQMX-PWSUYJOCSA-N 1 0 230.315 1.517 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cnccn1 ZINC000226966786 491053231 /nfs/dbraw/zinc/05/32/31/491053231.db2.gz HPDBYUPQCQWMSG-HBNTYKKESA-N 1 0 221.304 1.431 10 0 BDAERO Fc1ccccc1CC[NH2+]C[C@@H]1CCOC1 ZINC000019912794 181011563 /nfs/dbraw/zinc/01/15/63/181011563.db2.gz BJGOSHXWPXNWKT-NSHDSACASA-N 1 0 223.291 1.994 10 0 BDAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000224736069 363263749 /nfs/dbraw/zinc/26/37/49/363263749.db2.gz IGPYLACGKUJFLA-VXGBXAGGSA-N 1 0 223.316 1.980 10 0 BDAERO CC[C@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004410 491056077 /nfs/dbraw/zinc/05/60/77/491056077.db2.gz NRNCOEMEMHQSHQ-WDEREUQCSA-N 1 0 200.326 1.095 10 0 BDAERO CCN(C(=O)CSC)[C@@H]1CCC[NH2+]CC1 ZINC000379428082 358484697 /nfs/dbraw/zinc/48/46/97/358484697.db2.gz CTPAARLACRRMHM-SNVBAGLBSA-N 1 0 230.377 1.340 10 0 BDAERO C[C@@H](C[NH3+])N(C)c1nc2ccccc2[nH]1 ZINC000074204752 354182701 /nfs/dbraw/zinc/18/27/01/354182701.db2.gz YKNVRMHNVXOCNT-QMMMGPOBSA-N 1 0 204.277 1.346 10 0 BDAERO CSCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113228274 354286192 /nfs/dbraw/zinc/28/61/92/354286192.db2.gz VLBGJIOJJPATPD-WDEREUQCSA-N 1 0 242.388 1.435 10 0 BDAERO CCCOCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113226965 354271112 /nfs/dbraw/zinc/27/11/12/354271112.db2.gz XTZDRZQRAJLQFO-RYUDHWBXSA-N 1 0 240.347 1.108 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC(C1CC1)C1CC1 ZINC000083894647 354434987 /nfs/dbraw/zinc/43/49/87/354434987.db2.gz YYZOIOOOKGQFEO-MRVPVSSYSA-N 1 0 210.321 1.147 10 0 BDAERO C[C@@H]1OC[C@H](NC(=[NH2+])NCc2ccccc2)[C@@H]1C ZINC000405675688 354645832 /nfs/dbraw/zinc/64/58/32/354645832.db2.gz RXWYNLCTWGOSPJ-MDZLAQPJSA-N 1 0 247.342 1.724 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000040502366 358493824 /nfs/dbraw/zinc/49/38/24/358493824.db2.gz MZAQLWACZQLBIF-CYBMUJFWSA-N 1 0 234.343 1.966 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000040502425 358494431 /nfs/dbraw/zinc/49/44/31/358494431.db2.gz DLACWPOPHURVIR-ZDUSSCGKSA-N 1 0 219.332 1.656 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](O)CN(C)C)[C@@H]1CC1(C)C ZINC000414080612 191428230 /nfs/dbraw/zinc/42/82/30/191428230.db2.gz DIFMPAMXTYLJIL-WOPDTQHZSA-N 1 0 228.380 1.323 10 0 BDAERO NC(=[NH2+])CCCC[C@H]1C(=O)O[C@H]2CCC[C@H]12 ZINC000026746717 181186716 /nfs/dbraw/zinc/18/67/16/181186716.db2.gz LLZNZOUKCHIYKS-BBBLOLIVSA-N 1 0 224.304 1.824 10 0 BDAERO N[NH+]=C(N)Cc1c(F)cccc1Cl ZINC000058575208 181185620 /nfs/dbraw/zinc/18/56/20/181185620.db2.gz MNSPTHSNSPNORU-UHFFFAOYSA-N 1 0 201.632 1.462 10 0 BDAERO C[C@]1([NH3+])CCN(C/C(Cl)=C/Cl)C1 ZINC000405832507 355329765 /nfs/dbraw/zinc/32/97/65/355329765.db2.gz UBCFRQIOTPKAEU-NZGHECTNSA-N 1 0 209.120 1.729 10 0 BDAERO NC(=[NH2+])c1ccc(-n2ccnc2)c(F)c1 ZINC000036887922 181194445 /nfs/dbraw/zinc/19/44/45/181194445.db2.gz WTYUKNKVCOVKBU-UHFFFAOYSA-N 1 0 204.208 1.295 10 0 BDAERO NC(=[NH2+])c1ccccc1CSc1nc[nH]n1 ZINC000019848035 181195893 /nfs/dbraw/zinc/19/58/93/181195893.db2.gz IVUWOPNIFPDGTO-UHFFFAOYSA-N 1 0 233.300 1.381 10 0 BDAERO NC(=[NH2+])c1cccc(COC[C@H]2CCOC2)c1 ZINC000049690357 181196125 /nfs/dbraw/zinc/19/61/25/181196125.db2.gz SPEWQXXTUPIMDJ-NSHDSACASA-N 1 0 234.299 1.524 10 0 BDAERO NC(=[NH2+])c1cccnc1-n1nnc2ccccc21 ZINC000034973577 181196609 /nfs/dbraw/zinc/19/66/09/181196609.db2.gz VYPSGIWHFCVULP-UHFFFAOYSA-N 1 0 238.254 1.100 10 0 BDAERO NC(=[NH2+])c1ccnc(-n2nnc3ccccc32)c1 ZINC000034973573 181197249 /nfs/dbraw/zinc/19/72/49/181197249.db2.gz XPMLVXPHIQJRCE-UHFFFAOYSA-N 1 0 238.254 1.100 10 0 BDAERO NC(=[NH2+])c1ccnc(N(CCO)C2CCCC2)c1 ZINC000042508047 181197867 /nfs/dbraw/zinc/19/78/67/181197867.db2.gz ONDJTLRKHDJTLN-UHFFFAOYSA-N 1 0 248.330 1.107 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)COC(C)(C)C)C1 ZINC000389154538 355739192 /nfs/dbraw/zinc/73/91/92/355739192.db2.gz KIGGPXRWTYDHQM-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO CC(C)(C)OC(=O)CN1C[C@@H]2CCC[C@H]21 ZINC000350731993 355751827 /nfs/dbraw/zinc/75/18/27/355751827.db2.gz IHPLFBXFNMFXCI-VHSXEESVSA-N 1 0 211.305 1.812 10 0 BDAERO C[C@H](C[NH2+][C@H]1CCOC[C@H]1O)C1CCCCC1 ZINC000639354326 355806099 /nfs/dbraw/zinc/80/60/99/355806099.db2.gz GVHIRQZMQWJMLO-KWCYVHTRSA-N 1 0 241.375 1.942 10 0 BDAERO Nc1ccc(OCC[NH+]2CCCC2)nc1 ZINC000040240049 355841203 /nfs/dbraw/zinc/84/12/03/355841203.db2.gz LCFYQZWRIKAIHW-UHFFFAOYSA-N 1 0 207.277 1.138 10 0 BDAERO C[C@H](C(=O)N1CC[C@@H](C)[C@H]([NH3+])C1)C(C)(C)C ZINC000399208153 355851681 /nfs/dbraw/zinc/85/16/81/355851681.db2.gz ODVZIGOFJIZZQL-GMTAPVOTSA-N 1 0 226.364 1.864 10 0 BDAERO C[NH2+]C1(C)CCN(c2nncs2)CC1 ZINC000168487457 355856179 /nfs/dbraw/zinc/85/61/79/355856179.db2.gz BBCLVDBPHNPPMJ-UHFFFAOYSA-N 1 0 212.322 1.116 10 0 BDAERO Cc1ccc(C[NH2+]C2CCN(CCO)CC2)cc1 ZINC000399225109 355865181 /nfs/dbraw/zinc/86/51/81/355865181.db2.gz MHOQOOOCBMSPLK-UHFFFAOYSA-N 1 0 248.370 1.541 10 0 BDAERO CC(C)[C@H](C(=O)NC[C@H](O)C(C)(C)C)[C@H](C)[NH3+] ZINC000399373915 355867522 /nfs/dbraw/zinc/86/75/22/355867522.db2.gz LLAPZIQHNMOLBM-DCAQKATOSA-N 1 0 244.379 1.129 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccc1F ZINC000035185116 355875653 /nfs/dbraw/zinc/87/56/53/355875653.db2.gz GGECNWWVQMACKB-RXMQYKEDSA-N 1 0 216.643 1.765 10 0 BDAERO COCCC[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000395357266 355955982 /nfs/dbraw/zinc/95/59/82/355955982.db2.gz CCMTWAWWMBTVRL-KPPDAEKUSA-N 1 0 201.310 1.162 10 0 BDAERO CC(C)[C@@H]([NH3+])CNc1ccc(C(F)(F)F)nn1 ZINC000167118394 355959296 /nfs/dbraw/zinc/95/92/96/355959296.db2.gz SFKIEFOOXYSUGT-ZETCQYMHSA-N 1 0 248.252 1.891 10 0 BDAERO NC(=O)CC[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000037483854 181227013 /nfs/dbraw/zinc/22/70/13/181227013.db2.gz JGUXVRURLXQNNJ-MRVPVSSYSA-N 1 0 232.205 1.369 10 0 BDAERO NC(=O)CC[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000037483799 181227460 /nfs/dbraw/zinc/22/74/60/181227460.db2.gz JDFIYHJBQCCPHV-VIFPVBQESA-N 1 0 214.215 1.230 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cccc(Br)c1 ZINC000020578013 181241234 /nfs/dbraw/zinc/24/12/34/181241234.db2.gz PZWWNIVOASGHHU-MRVPVSSYSA-N 1 0 243.104 1.324 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc2cc[nH]c2c1 ZINC000044255233 181242269 /nfs/dbraw/zinc/24/22/69/181242269.db2.gz MHHRWKNEOCPKNW-SECBINFHSA-N 1 0 203.245 1.043 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000020577981 181244712 /nfs/dbraw/zinc/24/47/12/181244712.db2.gz BEHNXAQCNKWIAD-QMMMGPOBSA-N 1 0 232.205 1.581 10 0 BDAERO NC(=O)N1CCC([NH2+]C2CCCCC2)CC1 ZINC000037185989 181251170 /nfs/dbraw/zinc/25/11/70/181251170.db2.gz YQOGPRIDZYSELA-UHFFFAOYSA-N 1 0 225.336 1.452 10 0 BDAERO CCCCOCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261709029 535298554 /nfs/dbraw/zinc/29/85/54/535298554.db2.gz BTGLGLSZPPXSLQ-NSHDSACASA-N 1 0 242.363 1.389 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncnc3[nH]ccc32)C1 ZINC000420269956 192194911 /nfs/dbraw/zinc/19/49/11/192194911.db2.gz JDMMGBYLEPVWLH-BDAKNGLRSA-N 1 0 231.303 1.497 10 0 BDAERO C[C@H](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[NH+](C)C ZINC000617760713 356322645 /nfs/dbraw/zinc/32/26/45/356322645.db2.gz DROLFRUIFCMJIJ-WISYIIOYSA-N 1 0 224.348 1.489 10 0 BDAERO CC1(C)CO[C@@H](CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000639480898 356293504 /nfs/dbraw/zinc/29/35/04/356293504.db2.gz QEAGFTFZXNTIAP-CHWSQXEVSA-N 1 0 238.375 1.582 10 0 BDAERO CC1(C)CO[C@@H](CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000639480900 356293575 /nfs/dbraw/zinc/29/35/75/356293575.db2.gz QEAGFTFZXNTIAP-QWHCGFSZSA-N 1 0 238.375 1.582 10 0 BDAERO CC1CC(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)C1 ZINC000379467758 358501450 /nfs/dbraw/zinc/50/14/50/358501450.db2.gz YVPHTEFXCGMRLG-WYNUPADASA-N 1 0 210.321 1.241 10 0 BDAERO [NH3+]CC[C@H](Nc1ncnc2[nH]ccc21)C(F)F ZINC000420289474 192202192 /nfs/dbraw/zinc/20/21/92/192202192.db2.gz SYEZSNISECBUKA-ZETCQYMHSA-N 1 0 241.245 1.352 10 0 BDAERO Cc1ccncc1C(=O)[C@](C)([NH3+])C1CC1 ZINC000168586472 356426534 /nfs/dbraw/zinc/42/65/34/356426534.db2.gz NYBCMMISPIMLBF-GFCCVEGCSA-N 1 0 204.273 1.700 10 0 BDAERO NC(=O)[C@@]1(Nc2ccccc2)C[NH+]2CCC1CC2 ZINC000037941970 181276358 /nfs/dbraw/zinc/27/63/58/181276358.db2.gz NRJMCGHXZIPCSJ-CQSZACIVSA-N 1 0 245.326 1.048 10 0 BDAERO NC(=O)[C@H]1CCC=CC[N@H+](Cc2ccccc2)C1 ZINC000020286469 181279309 /nfs/dbraw/zinc/27/93/09/181279309.db2.gz ANCWJWJAKYSJLJ-AWEZNQCLSA-N 1 0 244.338 1.940 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]1CC[NH3+] ZINC000142487853 356469440 /nfs/dbraw/zinc/46/94/40/356469440.db2.gz KHJAQTONQACTCR-MRVPVSSYSA-N 1 0 200.282 1.345 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCCC1)c1cccnc1 ZINC000037969784 181278128 /nfs/dbraw/zinc/27/81/28/181278128.db2.gz WLPBCGOPKFQZHY-GFCCVEGCSA-N 1 0 233.315 1.530 10 0 BDAERO C[C@H]1CCCN(C(=O)[C@@H]2CCCO2)[C@H]1CC[NH3+] ZINC000404292892 491093703 /nfs/dbraw/zinc/09/37/03/491093703.db2.gz VVAPUNOPGPCJBB-SRVKXCTJSA-N 1 0 240.347 1.141 10 0 BDAERO C[NH2+]CC(=O)c1cccc2ncccc21 ZINC000168181216 356530085 /nfs/dbraw/zinc/53/00/85/356530085.db2.gz QBXIFSMYQMHFLS-UHFFFAOYSA-N 1 0 200.241 1.637 10 0 BDAERO CC(C)n1ccnc1CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000336192996 134124350 /nfs/dbraw/zinc/12/43/50/134124350.db2.gz HPJGSGXIZRRSQN-RYUDHWBXSA-N 1 0 236.363 1.646 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOCC1CCC1 ZINC000421004958 192298875 /nfs/dbraw/zinc/29/88/75/192298875.db2.gz FZKOUSLJIJBNQY-AAEUAGOBSA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)OCCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000421015981 192301470 /nfs/dbraw/zinc/30/14/70/192301470.db2.gz LDGONHAAZZVKFC-NWDGAFQWSA-N 1 0 215.337 1.647 10 0 BDAERO Cc1nccn1CCC[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000421014928 192302287 /nfs/dbraw/zinc/30/22/87/192302287.db2.gz KUTYERRIHGCYSZ-WCQYABFASA-N 1 0 237.347 1.427 10 0 BDAERO CCCc1nccnc1N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630090594 363492672 /nfs/dbraw/zinc/49/26/72/363492672.db2.gz CIQSQMVEHZXISU-QWRGUYRKSA-N 1 0 234.347 1.460 10 0 BDAERO Cc1ccc(N)cc1OCCN1CC[NH+](C)CC1 ZINC000213801893 363490748 /nfs/dbraw/zinc/49/07/48/363490748.db2.gz QUYJRLFWDOJEER-UHFFFAOYSA-N 1 0 249.358 1.203 10 0 BDAERO COc1cccnc1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000630091489 363510145 /nfs/dbraw/zinc/51/01/45/363510145.db2.gz HILCHVDEEPNSKK-NXEZZACHSA-N 1 0 221.304 1.643 10 0 BDAERO C[C@H](CO)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000380340444 538466110 /nfs/dbraw/zinc/46/61/10/538466110.db2.gz RMUGDFOWPKOKGM-MRVPVSSYSA-N 1 0 226.345 1.492 10 0 BDAERO CN1CC[C@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000083288118 538466397 /nfs/dbraw/zinc/46/63/97/538466397.db2.gz FALAUYKCTAIKNT-RYUDHWBXSA-N 1 0 208.280 1.920 10 0 BDAERO CCC(=O)NC[C@@H]1[NH2+]CCOc2ccccc21 ZINC000675057456 538480010 /nfs/dbraw/zinc/48/00/10/538480010.db2.gz CBCCCGISNYISIX-NSHDSACASA-N 1 0 234.299 1.236 10 0 BDAERO COc1cccc([C@H]2CO[C@@H](C[NH3+])C2)c1 ZINC000675058454 538481636 /nfs/dbraw/zinc/48/16/36/538481636.db2.gz HDMXNDBGAOLCNR-ZYHUDNBSSA-N 1 0 207.273 1.526 10 0 BDAERO COc1ccccc1[C@@H]1CC[C@@H](C[NH3+])OC1 ZINC000675058574 538482487 /nfs/dbraw/zinc/48/24/87/538482487.db2.gz MGCSGYVIERNCJR-MNOVXSKESA-N 1 0 221.300 1.917 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1OC(=O)c1ccccc1 ZINC000675058781 538482939 /nfs/dbraw/zinc/48/29/39/538482939.db2.gz XNEPWALWHOJHLN-ONGXEEELSA-N 1 0 205.257 1.594 10 0 BDAERO C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H](CO)O2)[C@H]1C ZINC000675059071 538483048 /nfs/dbraw/zinc/48/30/48/538483048.db2.gz JDHNVPHAGVDVEE-ZDEQEGDKSA-N 1 0 227.348 1.647 10 0 BDAERO CCC[C@]1(C[NH3+])CN(C(=O)C2(C)CC2)CCO1 ZINC000675059084 538483185 /nfs/dbraw/zinc/48/31/85/538483185.db2.gz JWDMRVWUGIBAKP-ZDUSSCGKSA-N 1 0 240.347 1.143 10 0 BDAERO CCC[C@@]1(CNC(=O)C(C)(C)C)C[NH2+]CCO1 ZINC000675059324 538483431 /nfs/dbraw/zinc/48/34/31/538483431.db2.gz ODVCCPKFQKJOQI-ZDUSSCGKSA-N 1 0 242.363 1.307 10 0 BDAERO CC[C@@]1(C[NH3+])CN(C(=O)[C@H](C)C(C)C)CCO1 ZINC000675059120 538483437 /nfs/dbraw/zinc/48/34/37/538483437.db2.gz KUQJQRQYOXEPHB-DGCLKSJQSA-N 1 0 242.363 1.245 10 0 BDAERO [NH3+]C[C@]12C[C@H](CN1C(=O)C1CCC1)CCC2 ZINC000675051769 538475210 /nfs/dbraw/zinc/47/52/10/538475210.db2.gz SUMFIWZLEULRFS-MFKMUULPSA-N 1 0 222.332 1.516 10 0 BDAERO CC1CC(C(=O)N[C@@H](C[NH3+])C(C)(C)C)C1 ZINC000582235797 356652315 /nfs/dbraw/zinc/65/23/15/356652315.db2.gz MJRIJJJTAWRBFX-RTBKNWGFSA-N 1 0 212.337 1.522 10 0 BDAERO CC[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)OC ZINC000378673357 356652331 /nfs/dbraw/zinc/65/23/31/356652331.db2.gz MILGOWLVNLQKJI-BJDJZHNGSA-N 1 0 227.348 1.815 10 0 BDAERO CCCC[C@@H](COC)[NH2+]CCn1cc(C)cn1 ZINC000123893581 358509504 /nfs/dbraw/zinc/50/95/04/358509504.db2.gz OSMCGUCPVNYXFA-ZDUSSCGKSA-N 1 0 239.363 1.986 10 0 BDAERO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000389438428 356670787 /nfs/dbraw/zinc/67/07/87/356670787.db2.gz NDSZWJSXNGOUHA-SDDRHHMPSA-N 1 0 234.347 1.573 10 0 BDAERO COc1cc(C[NH2+]CC2CC(O)C2)sn1 ZINC000399099413 366325014 /nfs/dbraw/zinc/32/50/14/366325014.db2.gz ZWDFPWJMSXJYCH-UHFFFAOYSA-N 1 0 228.317 1.012 10 0 BDAERO CC(C)CNC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 ZINC000675071003 538501804 /nfs/dbraw/zinc/50/18/04/538501804.db2.gz VGQNSROVPGUDFI-WRWGMCAJSA-N 1 0 239.363 1.315 10 0 BDAERO C[C@H](C[NH3+])CNc1ncc(Cl)cn1 ZINC000168157272 134156198 /nfs/dbraw/zinc/15/61/98/134156198.db2.gz XOVUFXKWDKNNTM-ZCFIWIBFSA-N 1 0 200.673 1.137 10 0 BDAERO CCOc1cccc2c1OCC[NH2+][C@H]2CO ZINC000675072643 538503642 /nfs/dbraw/zinc/50/36/42/538503642.db2.gz BNNJQQLXVNNUFC-JTQLQIEISA-N 1 0 223.272 1.101 10 0 BDAERO Cc1cccc(CC2=C[C@@H](N)C[NH2+]C2)c1 ZINC000675076596 538511555 /nfs/dbraw/zinc/51/15/55/538511555.db2.gz DTQYHWYWYJPGRK-CYBMUJFWSA-N 1 0 202.301 1.394 10 0 BDAERO O[C@@H]1C=C(Cc2ccncc2Cl)C[NH2+]C1 ZINC000675076614 538511634 /nfs/dbraw/zinc/51/16/34/538511634.db2.gz FAYFWYIEHPXCAD-SNVBAGLBSA-N 1 0 224.691 1.168 10 0 BDAERO CC(C)C(=O)CCCN1CC[NH2+]C[C@H]1C ZINC000675075778 538510444 /nfs/dbraw/zinc/51/04/44/538510444.db2.gz VAYYUDUIWGDUIF-LLVKDONJSA-N 1 0 212.337 1.285 10 0 BDAERO CSCC[C@@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675069147 538497524 /nfs/dbraw/zinc/49/75/24/538497524.db2.gz WKYWAWDELYPUQT-JTQLQIEISA-N 1 0 225.361 1.979 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]2C[C@H](NC(=O)CC3CC3)[C@@H]2C1 ZINC000675068968 538497777 /nfs/dbraw/zinc/49/77/77/538497777.db2.gz FSAZUHGSQFEXGY-KKOKHZNYSA-N 1 0 222.332 1.276 10 0 BDAERO CC(C)(C)OC(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC000675069488 538498195 /nfs/dbraw/zinc/49/81/95/538498195.db2.gz HRFXXLQDQRBUCG-MRVPVSSYSA-N 1 0 237.303 1.632 10 0 BDAERO O[C@@H]1C=C(C[C@@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675077447 538513851 /nfs/dbraw/zinc/51/38/51/538513851.db2.gz MRSANDBDJNJHAC-VHSXEESVSA-N 1 0 217.259 1.702 10 0 BDAERO COCc1cc(C2=C[C@H]([NH3+])CNC2)cs1 ZINC000675077952 538514316 /nfs/dbraw/zinc/51/43/16/538514316.db2.gz KTDNGQPWDKETHX-JTQLQIEISA-N 1 0 224.329 1.208 10 0 BDAERO O[C@@H]1C=C(CC[C@@H]2CCCCO2)C[NH2+]C1 ZINC000675077864 538514860 /nfs/dbraw/zinc/51/48/60/538514860.db2.gz SNAOARGDCYFSEE-NEPJUHHUSA-N 1 0 211.305 1.226 10 0 BDAERO N[C@@H]1C=C(Cc2ncccc2Cl)C[NH2+]C1 ZINC000675078075 538515056 /nfs/dbraw/zinc/51/50/56/538515056.db2.gz MBVAIFDURYJKCN-SECBINFHSA-N 1 0 223.707 1.134 10 0 BDAERO [NH3+][C@H]1C=C(c2occc2Br)CNC1 ZINC000675078810 538516526 /nfs/dbraw/zinc/51/65/26/538516526.db2.gz TZPHETSRLSLQPY-ZETCQYMHSA-N 1 0 243.104 1.356 10 0 BDAERO Cc1csc(C)c1C1=C[C@@H]([NH3+])CNC1 ZINC000675079074 538517265 /nfs/dbraw/zinc/51/72/65/538517265.db2.gz VQVSYZOXANQNTI-SNVBAGLBSA-N 1 0 208.330 1.679 10 0 BDAERO CC(C)C(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000675079502 538518607 /nfs/dbraw/zinc/51/86/07/538518607.db2.gz HAJKIXBZJIGMNK-RYUDHWBXSA-N 1 0 218.300 1.383 10 0 BDAERO [NH3+][C@H](C1=CCCO1)[C@@H]1CSCCS1 ZINC000168231109 356693505 /nfs/dbraw/zinc/69/35/05/356693505.db2.gz DWQFPSLMKHAITN-DTWKUNHWSA-N 1 0 217.359 1.467 10 0 BDAERO O[C@H]1C=C(Cc2scnc2Cl)C[NH2+]C1 ZINC000675077046 538512035 /nfs/dbraw/zinc/51/20/35/538512035.db2.gz IVPJYYUEXJNWLH-ZETCQYMHSA-N 1 0 230.720 1.230 10 0 BDAERO [NH3+]CCCc1nc2c(s1)CC(=O)CC2 ZINC000675076865 538512105 /nfs/dbraw/zinc/51/21/05/538512105.db2.gz SXKLQRJFARUHEC-UHFFFAOYSA-N 1 0 210.302 1.092 10 0 BDAERO NC(=O)c1cc(Cl)ccc1NC1CC([NH3+])C1 ZINC000052858553 181288688 /nfs/dbraw/zinc/28/86/88/181288688.db2.gz RHJWFJHMRTZVHC-UHFFFAOYSA-N 1 0 239.706 1.341 10 0 BDAERO COc1ccccc1C1=C[C@H](O)C[NH2+]C1 ZINC000675076838 538512321 /nfs/dbraw/zinc/51/23/21/538512321.db2.gz GOWONSVXBDKAPW-JTQLQIEISA-N 1 0 205.257 1.043 10 0 BDAERO O[C@H]1C=C(CCc2ccsc2)C[NH2+]C1 ZINC000675077568 538512420 /nfs/dbraw/zinc/51/24/20/538512420.db2.gz OJQFMIXTNHYFEC-NSHDSACASA-N 1 0 209.314 1.571 10 0 BDAERO CSc1cccc(C2=C[C@@H](N)C[NH2+]C2)c1 ZINC000675077230 538512485 /nfs/dbraw/zinc/51/24/85/538512485.db2.gz BGMWWJCVEWPOFT-LLVKDONJSA-N 1 0 220.341 1.722 10 0 BDAERO O[C@@H]1C=C(c2ccc(Cl)s2)C[NH2+]C1 ZINC000675077369 538512585 /nfs/dbraw/zinc/51/25/85/538512585.db2.gz LXDQWXDDBNLRCH-SSDOTTSWSA-N 1 0 215.705 1.749 10 0 BDAERO O[C@@H]1C=C(CCc2ccsc2)C[NH2+]C1 ZINC000675077567 538512821 /nfs/dbraw/zinc/51/28/21/538512821.db2.gz OJQFMIXTNHYFEC-LLVKDONJSA-N 1 0 209.314 1.571 10 0 BDAERO C[NH+](C)C[C@@H](O)CCCc1ccccc1 ZINC000085794083 538546849 /nfs/dbraw/zinc/54/68/49/538546849.db2.gz UNNOTAUKYKRJAI-ZDUSSCGKSA-N 1 0 207.317 1.932 10 0 BDAERO CC[C@H](C[NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000085923502 538549027 /nfs/dbraw/zinc/54/90/27/538549027.db2.gz PMMBZZCUHWLJGY-SNVBAGLBSA-N 1 0 229.320 1.020 10 0 BDAERO Cn1cc(C(=O)C[C@H]2CCCC[NH2+]2)cn1 ZINC000086499754 538555944 /nfs/dbraw/zinc/55/59/44/538555944.db2.gz CZSWTZAZJZMSFL-SNVBAGLBSA-N 1 0 207.277 1.135 10 0 BDAERO CC(C)CC(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000129795196 538576612 /nfs/dbraw/zinc/57/66/12/538576612.db2.gz BMPFKGUAUDVKFK-MNOVXSKESA-N 1 0 212.337 1.394 10 0 BDAERO CC(C)CC(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000129794983 538576937 /nfs/dbraw/zinc/57/69/37/538576937.db2.gz BMPFKGUAUDVKFK-WDEREUQCSA-N 1 0 212.337 1.394 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)C(C)(C)C ZINC000129800449 538579173 /nfs/dbraw/zinc/57/91/73/538579173.db2.gz XIKVBJSDNIENRH-ZJUUUORDSA-N 1 0 212.337 1.394 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000129806215 538579221 /nfs/dbraw/zinc/57/92/21/538579221.db2.gz XTILTGCWDKBXIX-SRVKXCTJSA-N 1 0 226.364 1.784 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)c1ncc(Cl)s1 ZINC000223309664 538594450 /nfs/dbraw/zinc/59/44/50/538594450.db2.gz UKMXHFLADPOPLD-NJGYIYPDSA-N 1 0 206.698 1.425 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H]1C1=[NH+]CCN1 ZINC000224602302 538600157 /nfs/dbraw/zinc/60/01/57/538600157.db2.gz FGCYEDNAVRTJTQ-SECBINFHSA-N 1 0 239.319 1.388 10 0 BDAERO COCC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000163514724 538656114 /nfs/dbraw/zinc/65/61/14/538656114.db2.gz OURPCLMANIJSIU-UHFFFAOYSA-N 1 0 215.337 1.818 10 0 BDAERO CCCCNC(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000227619471 538699795 /nfs/dbraw/zinc/69/97/95/538699795.db2.gz CVSUWCYUWWIYNT-VHSXEESVSA-N 1 0 213.325 1.213 10 0 BDAERO COc1cccc([C@@H]2C[C@H]([NH3+])CCN2C)c1 ZINC000257588455 538737179 /nfs/dbraw/zinc/73/71/79/538737179.db2.gz TVLSUIGXKZKJHQ-YPMHNXCESA-N 1 0 220.316 1.789 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000389517748 356901558 /nfs/dbraw/zinc/90/15/58/356901558.db2.gz GIKZFHYHQPTRSN-LOWDOPEQSA-N 1 0 238.375 1.484 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000389531723 356969852 /nfs/dbraw/zinc/96/98/52/356969852.db2.gz INRYWCKOXZQXIW-AVGNSLFASA-N 1 0 237.391 1.295 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000389537771 356982520 /nfs/dbraw/zinc/98/25/20/356982520.db2.gz JODBXVXWTFLSPK-MXWKQRLJSA-N 1 0 200.326 1.094 10 0 BDAERO NC(=O)c1cc(F)ccc1N[C@H]1CCC[NH2+]C1 ZINC000104244525 181289598 /nfs/dbraw/zinc/28/95/98/181289598.db2.gz MMEBBRWZPVCZCU-VIFPVBQESA-N 1 0 237.278 1.089 10 0 BDAERO CCOc1cncc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389736326 357022078 /nfs/dbraw/zinc/02/20/78/357022078.db2.gz VCSWUWGEIPBQCQ-NXEZZACHSA-N 1 0 236.319 1.285 10 0 BDAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncc(Cl)cn1 ZINC000389740551 357023504 /nfs/dbraw/zinc/02/35/04/357023504.db2.gz YVXWFDIKZAAHJR-CBAPKCEASA-N 1 0 226.711 1.540 10 0 BDAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncc(F)cn1 ZINC000389742719 357023517 /nfs/dbraw/zinc/02/35/17/357023517.db2.gz CJKWAGKXUFFLPJ-CBAPKCEASA-N 1 0 210.256 1.026 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncc(F)cn1 ZINC000389742713 357023682 /nfs/dbraw/zinc/02/36/82/357023682.db2.gz CJKWAGKXUFFLPJ-APPZFPTMSA-N 1 0 210.256 1.026 10 0 BDAERO Cc1cnc(N[C@H]2C[NH2+]CC[C@@H]2C)nc1 ZINC000389722841 357020201 /nfs/dbraw/zinc/02/02/01/357020201.db2.gz IGRXPBMLAHCWRD-UWVGGRQHSA-N 1 0 206.293 1.195 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])c1ccccc1Cl ZINC000258556764 538790715 /nfs/dbraw/zinc/79/07/15/538790715.db2.gz JSMFPETXZQXZQA-VIFPVBQESA-N 1 0 227.691 1.945 10 0 BDAERO Cc1csc(N2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000160620529 357133087 /nfs/dbraw/zinc/13/30/87/357133087.db2.gz WUFAGFXZMDGRNW-BDAKNGLRSA-N 1 0 211.334 1.625 10 0 BDAERO O=Cc1cccn1[C@H]1C[NH+]2CCC1CC2 ZINC000035431344 357241267 /nfs/dbraw/zinc/24/12/67/357241267.db2.gz CEYRSNMWUWIPFX-LBPRGKRZSA-N 1 0 204.273 1.567 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@H](O)c1ccsc1 ZINC000300052714 357180760 /nfs/dbraw/zinc/18/07/60/357180760.db2.gz IIRCEWPHVASTKQ-NXEZZACHSA-N 1 0 229.370 1.829 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404033558 357381988 /nfs/dbraw/zinc/38/19/88/357381988.db2.gz XVIBXEPTYNDBIR-TUAOUCFPSA-N 1 0 240.347 1.012 10 0 BDAERO FC(F)COCCN1CCO[C@H]2CCCC[C@H]21 ZINC000188781151 357573974 /nfs/dbraw/zinc/57/39/74/357573974.db2.gz VDPGFUDDRSRPOM-MNOVXSKESA-N 1 0 249.301 1.912 10 0 BDAERO F[C@]1(C2CCOCC2)CCC[NH2+]CC1 ZINC000160726929 357517951 /nfs/dbraw/zinc/51/79/51/357517951.db2.gz UDLQJUUWACPXKZ-LLVKDONJSA-N 1 0 201.285 1.895 10 0 BDAERO CCOC(=O)c1cccnc1NCC[C@H](C)[NH3+] ZINC000063171633 357552585 /nfs/dbraw/zinc/55/25/85/357552585.db2.gz LEQWGAOCDGELIM-VIFPVBQESA-N 1 0 237.303 1.408 10 0 BDAERO CCc1nn(C)cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000231084649 357589370 /nfs/dbraw/zinc/58/93/70/357589370.db2.gz OTDCIFHFJZYULV-RKDXNWHRSA-N 1 0 236.319 1.048 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2CO)n(C)n1 ZINC000231312173 357612694 /nfs/dbraw/zinc/61/26/94/357612694.db2.gz FWUBYJOCWFEYPY-YPMHNXCESA-N 1 0 237.347 1.369 10 0 BDAERO CC(=O)C(C(C)=O)[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 ZINC000229134389 538881433 /nfs/dbraw/zinc/88/14/33/538881433.db2.gz SFSJBCBKIYHBLD-JBLDHEPKSA-N 1 0 209.289 1.169 10 0 BDAERO N[C@H]1C[NH2+]CC[C@H]1c1cccc2occc21 ZINC000685946575 538885682 /nfs/dbraw/zinc/88/56/82/538885682.db2.gz AWAJEHKMCVOQDG-JQWIXIFHSA-N 1 0 216.284 1.837 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1C ZINC000685945822 538887013 /nfs/dbraw/zinc/88/70/13/538887013.db2.gz BQERXUYRJXPKFE-YPMHNXCESA-N 1 0 220.316 1.408 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@H]1c1cccc(C)c1 ZINC000685945877 538887062 /nfs/dbraw/zinc/88/70/62/538887062.db2.gz DIMLXDSJCSIJRV-STQMWFEESA-N 1 0 204.317 1.789 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685945848 538887261 /nfs/dbraw/zinc/88/72/61/538887261.db2.gz CNEUZUNZWFNPKJ-GUBZILKMSA-N 1 0 216.300 1.176 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685945910 538887679 /nfs/dbraw/zinc/88/76/79/538887679.db2.gz FWNLSDUMLMDMLS-GUBZILKMSA-N 1 0 231.315 1.112 10 0 BDAERO CCC[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946305 538888151 /nfs/dbraw/zinc/88/81/51/538888151.db2.gz NSMDEBLYCHSXAV-IVZWLZJFSA-N 1 0 216.300 1.239 10 0 BDAERO CCNC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000685947086 538888514 /nfs/dbraw/zinc/88/85/14/538888514.db2.gz QXAWSZZRMLCATJ-JTQLQIEISA-N 1 0 225.336 1.228 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000685947057 538888891 /nfs/dbraw/zinc/88/88/91/538888891.db2.gz ZSAIEFIAYQBLSM-QWHCGFSZSA-N 1 0 204.317 1.789 10 0 BDAERO CC[C@@]1(NC(=O)[C@@H](C)C(C)C)CCC[NH2+]C1 ZINC000685947412 538889127 /nfs/dbraw/zinc/88/91/27/538889127.db2.gz MZSRBYMUWYFHOB-WCQYABFASA-N 1 0 226.364 1.927 10 0 BDAERO CC[C@@]1(NC(=O)[C@H](C)C(C)C)CCC[NH2+]C1 ZINC000685947410 538889331 /nfs/dbraw/zinc/88/93/31/538889331.db2.gz MZSRBYMUWYFHOB-DGCLKSJQSA-N 1 0 226.364 1.927 10 0 BDAERO CC(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000685947807 538889825 /nfs/dbraw/zinc/88/98/25/538889825.db2.gz RCGVLXXTHPBDQW-FRRDWIJNSA-N 1 0 222.332 1.387 10 0 BDAERO CCOc1ccc([C@H]2CC[NH2+]C[C@H]2N)cc1 ZINC000685948585 538891115 /nfs/dbraw/zinc/89/11/15/538891115.db2.gz QRAFEXXOVXNDQE-CHWSQXEVSA-N 1 0 220.316 1.490 10 0 BDAERO CC(C)(C)C(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685948858 538891693 /nfs/dbraw/zinc/89/16/93/538891693.db2.gz HJWAKQMEEHHGDM-GXFFZTMASA-N 1 0 224.348 1.823 10 0 BDAERO CCNC(=O)c1nc([C@H]2CCC[NH2+]2)sc1C ZINC000685948734 538891720 /nfs/dbraw/zinc/89/17/20/538891720.db2.gz DXPKZXYEZVGNRJ-MRVPVSSYSA-N 1 0 239.344 1.626 10 0 BDAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCNC[C@@H]2F)C1 ZINC000685948867 538891881 /nfs/dbraw/zinc/89/18/81/538891881.db2.gz UTCGODNJOQXBRD-USZNOCQGSA-N 1 0 214.328 1.664 10 0 BDAERO [NH3+][C@@]12CCN(C(=O)C3CCC3)[C@@H]1CCCC2 ZINC000685949173 538892437 /nfs/dbraw/zinc/89/24/37/538892437.db2.gz LCHNAMWUNGJBCI-YPMHNXCESA-N 1 0 222.332 1.659 10 0 BDAERO CC(C)[NH2+]Cc1nnc(-c2ccns2)o1 ZINC000685950715 538893860 /nfs/dbraw/zinc/89/38/60/538893860.db2.gz WOVGKJPJEQZBSX-UHFFFAOYSA-N 1 0 224.289 1.691 10 0 BDAERO CC[C@@H]1COCCN1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685950618 538893884 /nfs/dbraw/zinc/89/38/84/538893884.db2.gz BRBJKVKNQGHQBQ-SDDRHHMPSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)nc1 ZINC000189361036 357633489 /nfs/dbraw/zinc/63/34/89/357633489.db2.gz CRJPULDXXIJWEN-WCQYABFASA-N 1 0 249.333 1.889 10 0 BDAERO CO[C@@H]1C[C@@H](c2nc(C)no2)N(CC2CC2)C1 ZINC000190102890 357688715 /nfs/dbraw/zinc/68/87/15/357688715.db2.gz KUEXKAUAPOTLKI-MNOVXSKESA-N 1 0 237.303 1.550 10 0 BDAERO COc1cccnc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000160294965 357742264 /nfs/dbraw/zinc/74/22/64/357742264.db2.gz ONVHVXHCFDWNBS-UWVGGRQHSA-N 1 0 221.304 1.264 10 0 BDAERO CCOC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1C)C(C)C ZINC000233758758 357745435 /nfs/dbraw/zinc/74/54/35/357745435.db2.gz KOGYTUQFKAYCLL-SRVKXCTJSA-N 1 0 242.363 1.019 10 0 BDAERO c1ncn(C2CC[NH+](C[C@H]3CCC=CO3)CC2)n1 ZINC000191069936 357746222 /nfs/dbraw/zinc/74/62/22/357746222.db2.gz MAXUDWPSKQWVBL-CYBMUJFWSA-N 1 0 248.330 1.608 10 0 BDAERO C[C@H]1CCCC[C@H]1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191661272 357782243 /nfs/dbraw/zinc/78/22/43/357782243.db2.gz DIAKSWWVOXJOEI-STQMWFEESA-N 1 0 238.375 1.977 10 0 BDAERO Cc1cnn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192968908 357862424 /nfs/dbraw/zinc/86/24/24/357862424.db2.gz IOSZLJKRRWJOAJ-AGUYFDCRSA-N 1 0 248.374 1.406 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCCOC(F)F ZINC000398210968 357871328 /nfs/dbraw/zinc/87/13/28/357871328.db2.gz FKAWFXQJFXRVLF-MRVPVSSYSA-N 1 0 225.279 1.612 10 0 BDAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@@H](C)O ZINC000192979360 357863499 /nfs/dbraw/zinc/86/34/99/357863499.db2.gz SHAXECVZDGBRJQ-SKDRFNHKSA-N 1 0 237.347 1.555 10 0 BDAERO CCn1cc(C2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000192975021 357863532 /nfs/dbraw/zinc/86/35/32/357863532.db2.gz LQGLJAGMDRZFRI-NSHDSACASA-N 1 0 237.347 1.463 10 0 BDAERO CCN(CC[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000218469665 357925230 /nfs/dbraw/zinc/92/52/30/357925230.db2.gz BJCJYAKNSLOGRW-CHWSQXEVSA-N 1 0 226.364 1.364 10 0 BDAERO CO[C@@H](C[N@@H+]1CC[C@@H](O)C[C@H]1C)C1CC1 ZINC000639938573 357944571 /nfs/dbraw/zinc/94/45/71/357944571.db2.gz DIHWYUYKVWVEQW-JLLWLGSASA-N 1 0 213.321 1.257 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000219946524 358010762 /nfs/dbraw/zinc/01/07/62/358010762.db2.gz QCOVBSWGXPTTMY-CHWSQXEVSA-N 1 0 227.348 1.696 10 0 BDAERO C[NH2+]CCCNC(=O)c1ccc(N(C)C)cc1 ZINC000036279778 358024939 /nfs/dbraw/zinc/02/49/39/358024939.db2.gz JLKVBLLTVPAKIS-UHFFFAOYSA-N 1 0 235.331 1.092 10 0 BDAERO [NH3+]CCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037044289 358064303 /nfs/dbraw/zinc/06/43/03/358064303.db2.gz KUADXTDYSMGZHN-JGVFFNPUSA-N 1 0 238.253 1.573 10 0 BDAERO CC(C)CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897203 134259577 /nfs/dbraw/zinc/25/95/77/134259577.db2.gz QFXWLFNGQLNCOX-GFCCVEGCSA-N 1 0 239.363 1.522 10 0 BDAERO CC(C)CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171897204 134259729 /nfs/dbraw/zinc/25/97/29/134259729.db2.gz QFXWLFNGQLNCOX-LBPRGKRZSA-N 1 0 239.363 1.522 10 0 BDAERO CC[C@H](C)CN(CC)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000223391230 358224593 /nfs/dbraw/zinc/22/45/93/358224593.db2.gz CQNOLJXSSGOBFQ-QJPTWQEYSA-N 1 0 242.363 1.258 10 0 BDAERO NC(=O)c1ccc(C[NH2+]C2CCCC2)c(F)c1 ZINC000020037122 181296196 /nfs/dbraw/zinc/29/61/96/181296196.db2.gz RZKXZLNNANFRGF-UHFFFAOYSA-N 1 0 236.290 1.957 10 0 BDAERO COC[C@@H]([NH3+])c1ccc(-n2cccn2)cc1 ZINC000584595404 358252365 /nfs/dbraw/zinc/25/23/65/358252365.db2.gz OLPAVPMXSVCEKV-GFCCVEGCSA-N 1 0 217.272 1.519 10 0 BDAERO CC1(C)OCC([NH3+])(c2cccc(F)c2)CO1 ZINC000584615293 358279864 /nfs/dbraw/zinc/27/98/64/358279864.db2.gz WNXSLHOLUNWBNR-UHFFFAOYSA-N 1 0 225.263 1.763 10 0 BDAERO CCN(c1ccc(F)cc1C[NH3+])S(C)(=O)=O ZINC000584605427 358264693 /nfs/dbraw/zinc/26/46/93/358264693.db2.gz OCOZPYFYFPDZSI-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO Fc1cnc(Cl)nc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584631108 358268076 /nfs/dbraw/zinc/26/80/76/358268076.db2.gz DCHCARLOAXHHQU-KNVOCYPGSA-N 1 0 242.685 1.210 10 0 BDAERO [NH3+]Cc1sccc1-c1ncnc2[nH]cnc21 ZINC000584609488 358271322 /nfs/dbraw/zinc/27/13/22/358271322.db2.gz WYNSTTBOYOJJIS-UHFFFAOYSA-N 1 0 231.284 1.540 10 0 BDAERO CC[NH2+]CCc1cnc(Br)cn1 ZINC000584628923 358298569 /nfs/dbraw/zinc/29/85/69/358298569.db2.gz ZMSSVBHXFYLQQE-UHFFFAOYSA-N 1 0 230.109 1.391 10 0 BDAERO C[C@@H]1C[NH2+]Cc2cnc(-c3ccccn3)nc21 ZINC000584648858 358303372 /nfs/dbraw/zinc/30/33/72/358303372.db2.gz WEDBBIBBRZMVMQ-SECBINFHSA-N 1 0 226.283 1.745 10 0 BDAERO CC1(C)OC2(CC[NH2+]CC2)c2ncccc21 ZINC000584648774 358303597 /nfs/dbraw/zinc/30/35/97/358303597.db2.gz OKFHWJAICKOFNM-UHFFFAOYSA-N 1 0 218.300 1.926 10 0 BDAERO Cc1cccc(C(=O)N[n+]2ccccc2)c1 ZINC000584650509 358305019 /nfs/dbraw/zinc/30/50/19/358305019.db2.gz OYPXIIKMNYHJMB-UHFFFAOYSA-O 1 0 213.260 1.666 10 0 BDAERO CC[NH2+]CCc1ccc(C(C)(C)O)cn1 ZINC000584633834 358317375 /nfs/dbraw/zinc/31/73/75/358317375.db2.gz OEMGACMPMIYERG-UHFFFAOYSA-N 1 0 208.305 1.461 10 0 BDAERO Cc1ccccc1[C@@]1(O)CC[N@@H+](C)[C@H]1C ZINC000584635374 358319224 /nfs/dbraw/zinc/31/92/24/358319224.db2.gz WQWRKTBWRVBHIO-WCQYABFASA-N 1 0 205.301 1.907 10 0 BDAERO Cc1ccccc1[C@]1(O)CC[N@@H+](C)[C@H]1C ZINC000584635370 358319464 /nfs/dbraw/zinc/31/94/64/358319464.db2.gz WQWRKTBWRVBHIO-AAEUAGOBSA-N 1 0 205.301 1.907 10 0 BDAERO CCC[NH2+]CCc1nc(C(=O)OCC)c(C)o1 ZINC000584636008 358320567 /nfs/dbraw/zinc/32/05/67/358320567.db2.gz LZHQXICLGSQIEL-UHFFFAOYSA-N 1 0 240.303 1.702 10 0 BDAERO COc1ccc2c(c1)CC[C@H]([NH3+])C[C@H]2O ZINC000584640161 358326196 /nfs/dbraw/zinc/32/61/96/358326196.db2.gz KOWXACQIVDGRDV-JOYOIKCWSA-N 1 0 207.273 1.392 10 0 BDAERO Cc1cc[n+](NC(=O)c2ccccc2)cc1C ZINC000584642668 358328001 /nfs/dbraw/zinc/32/80/01/358328001.db2.gz HAFHLQBIIQXVGE-UHFFFAOYSA-O 1 0 227.287 1.975 10 0 BDAERO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227107 358335983 /nfs/dbraw/zinc/33/59/83/358335983.db2.gz FJEMOQLKFXHHKC-QJPTWQEYSA-N 1 0 215.337 1.287 10 0 BDAERO CN(C(=O)c1ncccc1O)[C@@H]1CCC[NH2+]CC1 ZINC000226456758 358340305 /nfs/dbraw/zinc/34/03/05/358340305.db2.gz HSZWBFGOSYJVDW-SNVBAGLBSA-N 1 0 249.314 1.001 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCCSC1 ZINC000227897068 358366027 /nfs/dbraw/zinc/36/60/27/358366027.db2.gz PZLBENZBOCVBMA-NWDGAFQWSA-N 1 0 247.404 1.649 10 0 BDAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000228714239 358384577 /nfs/dbraw/zinc/38/45/77/358384577.db2.gz MNTZZHILTARINH-IJLUTSLNSA-N 1 0 239.315 1.403 10 0 BDAERO Cc1csc(N2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000228085083 358566185 /nfs/dbraw/zinc/56/61/85/358566185.db2.gz YCPMDPOXDXSXLZ-RKDXNWHRSA-N 1 0 211.334 1.625 10 0 BDAERO C[C@@H]1CN(C(=O)NC(C)(C)C)C[C@H]1[NH+](C)C ZINC000131027125 358658279 /nfs/dbraw/zinc/65/82/79/358658279.db2.gz TYJBZNHYVCEZQK-NXEZZACHSA-N 1 0 227.352 1.376 10 0 BDAERO C[NH2+]Cc1cc2ccc(C)cc2n(C)c1=O ZINC000039288586 358710866 /nfs/dbraw/zinc/71/08/66/358710866.db2.gz DLZDHMSMFOAKRI-UHFFFAOYSA-N 1 0 216.284 1.566 10 0 BDAERO CCOC(=O)CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000132308772 358718133 /nfs/dbraw/zinc/71/81/33/358718133.db2.gz HUFGUAZTTBKKME-RYUDHWBXSA-N 1 0 243.347 1.829 10 0 BDAERO COc1ccc(C)cc1C[NH2+][C@@H]1CCCNC1=O ZINC000050394954 358726649 /nfs/dbraw/zinc/72/66/49/358726649.db2.gz HIRUINJCCQKGTB-GFCCVEGCSA-N 1 0 248.326 1.372 10 0 BDAERO C[C@H](C[NH3+])CNc1ccc(C(F)(F)F)nn1 ZINC000132526861 358727437 /nfs/dbraw/zinc/72/74/37/358727437.db2.gz UFCXYGBZPVVJNZ-ZCFIWIBFSA-N 1 0 234.225 1.502 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCO[C@H]1C ZINC000134548103 358795474 /nfs/dbraw/zinc/79/54/74/358795474.db2.gz RAXVNUURTVCDAW-VHSXEESVSA-N 1 0 228.336 1.058 10 0 BDAERO CC[C@]1(C(=O)Nc2ncccc2O)CC[NH2+]C1 ZINC000134760145 358804899 /nfs/dbraw/zinc/80/48/99/358804899.db2.gz QORBMUZZEHZGFF-LBPRGKRZSA-N 1 0 235.287 1.115 10 0 BDAERO CC[C@@]1(C(=O)Nc2ncccc2O)CC[NH2+]C1 ZINC000134760170 358805231 /nfs/dbraw/zinc/80/52/31/358805231.db2.gz QORBMUZZEHZGFF-GFCCVEGCSA-N 1 0 235.287 1.115 10 0 BDAERO C[C@H]([NH2+]CCn1cc(Cl)cn1)[C@H]1CCCO1 ZINC000053537911 358834552 /nfs/dbraw/zinc/83/45/52/358834552.db2.gz ICMHGIWPZKPIQP-GXSJLCMTSA-N 1 0 243.738 1.694 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000053534711 358835059 /nfs/dbraw/zinc/83/50/59/358835059.db2.gz BKBIDKWFVRBUSC-RYUDHWBXSA-N 1 0 223.320 1.349 10 0 BDAERO CC1(C)C[NH2+]CC[C@@]1(O)c1cscn1 ZINC000306152422 358915742 /nfs/dbraw/zinc/91/57/42/358915742.db2.gz ABPHISRDGIIHIQ-SNVBAGLBSA-N 1 0 212.318 1.350 10 0 BDAERO C[C@@H](CC(F)(F)F)N1CC[NH2+][C@H](C)C1 ZINC000300359092 358971276 /nfs/dbraw/zinc/97/12/76/358971276.db2.gz MRDYQXPXDHMOJL-SFYZADRCSA-N 1 0 210.243 1.621 10 0 BDAERO C[C@@H]1CCN(Cc2ccccc2)[C@H]1C[NH3+] ZINC000299979055 358972609 /nfs/dbraw/zinc/97/26/09/358972609.db2.gz RXLVACGMDNXSAR-YPMHNXCESA-N 1 0 204.317 1.856 10 0 BDAERO Cc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)o1 ZINC000061605673 358935179 /nfs/dbraw/zinc/93/51/79/358935179.db2.gz QAKRIORWXYHGNY-UHFFFAOYSA-N 1 0 248.326 1.898 10 0 BDAERO C[C@@H]1OCC[C@@H]1CNC1=[NH+]CCS1 ZINC000300372096 358977303 /nfs/dbraw/zinc/97/73/03/358977303.db2.gz FOYISPSLERVGHL-JGVFFNPUSA-N 1 0 200.307 1.104 10 0 BDAERO O=C(NC[C@@]12CCC[C@H]1C[NH2+]C2)C(F)(F)F ZINC000306158955 358953066 /nfs/dbraw/zinc/95/30/66/358953066.db2.gz CHWGSPSGUOZCEQ-CBAPKCEASA-N 1 0 236.237 1.055 10 0 BDAERO Nc1c(Br)cccc1NCC[NH3+] ZINC000306196250 359023970 /nfs/dbraw/zinc/02/39/70/359023970.db2.gz VTIYSOXNVRJJBQ-UHFFFAOYSA-N 1 0 230.109 1.402 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1nc2ccccc2[nH]1 ZINC000070010989 359037744 /nfs/dbraw/zinc/03/77/44/359037744.db2.gz FWXBREARPQHVIY-SECBINFHSA-N 1 0 218.304 1.958 10 0 BDAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000070070026 359040281 /nfs/dbraw/zinc/04/02/81/359040281.db2.gz RMUFTVKNKJQFIG-CHWSQXEVSA-N 1 0 245.363 1.009 10 0 BDAERO [NH3+]CCC(=O)Nc1ncccc1Br ZINC000306176765 358985917 /nfs/dbraw/zinc/98/59/17/358985917.db2.gz NUPBJNHSYJDQKV-UHFFFAOYSA-N 1 0 244.092 1.131 10 0 BDAERO c1cnn([C@@H]2CCCC[C@H]2[NH2+]Cc2cnc[nH]2)c1 ZINC000072746168 359090109 /nfs/dbraw/zinc/09/01/09/359090109.db2.gz XBQCBXKVHWSISY-CHWSQXEVSA-N 1 0 245.330 1.880 10 0 BDAERO CC[NH+](CC)CCN1CCO[C@@H]2CCCC[C@H]21 ZINC000246978617 359179699 /nfs/dbraw/zinc/17/96/99/359179699.db2.gz SFMFLENBGALHMR-ZIAGYGMSSA-N 1 0 240.391 1.972 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(F)F)C1 ZINC000247033341 359187121 /nfs/dbraw/zinc/18/71/21/359187121.db2.gz HUNAHNKJXGRZEX-RKDXNWHRSA-N 1 0 249.305 1.279 10 0 BDAERO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247073776 359193002 /nfs/dbraw/zinc/19/30/02/359193002.db2.gz IYELZUJPERIMJH-SDDRHHMPSA-N 1 0 242.363 1.114 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[C@@H]1CCCO1 ZINC000246501518 359132669 /nfs/dbraw/zinc/13/26/69/359132669.db2.gz NEJWLOYFZVTBMP-RDBSUJKOSA-N 1 0 238.375 1.724 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOCC1CC1 ZINC000246641752 359153648 /nfs/dbraw/zinc/15/36/48/359153648.db2.gz IFHBFQBCLZLFBZ-JSGCOSHPSA-N 1 0 238.375 1.582 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247886213 359246984 /nfs/dbraw/zinc/24/69/84/359246984.db2.gz DBFVJXTXONINMO-KBPBESRZSA-N 1 0 240.391 1.611 10 0 BDAERO CCCC[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000247246045 359202771 /nfs/dbraw/zinc/20/27/71/359202771.db2.gz SUFFKZBKZWMJPH-LBPRGKRZSA-N 1 0 214.353 1.439 10 0 BDAERO Cc1nnc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000247485012 359224114 /nfs/dbraw/zinc/22/41/14/359224114.db2.gz TTYQQECEOBDPHW-KOLCDFICSA-N 1 0 236.319 1.047 10 0 BDAERO C[NH2+][C@@]1(c2nccs2)CSC[C@H]1C ZINC000306204633 359293291 /nfs/dbraw/zinc/29/32/91/359293291.db2.gz UBPGTUFENXVCGM-APPZFPTMSA-N 1 0 214.359 1.941 10 0 BDAERO C[C@@]1(CO)CCC[C@@H]1[NH2+]C1CSC1 ZINC000306210901 359304599 /nfs/dbraw/zinc/30/45/99/359304599.db2.gz GVABDLXRFWZFJZ-UWVGGRQHSA-N 1 0 201.335 1.243 10 0 BDAERO CN(c1cccc(Cl)n1)[C@H]1CC[N@H+](C)C1 ZINC000306226775 359354610 /nfs/dbraw/zinc/35/46/10/359354610.db2.gz CFQUUENIVHXYFB-VIFPVBQESA-N 1 0 225.723 1.875 10 0 BDAERO C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000306229951 359363753 /nfs/dbraw/zinc/36/37/53/359363753.db2.gz KHFQOBTXQCZNFE-ZJUUUORDSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@@H](CO)CNc1c(N)c[nH+]cc1Cl ZINC000306215897 359322221 /nfs/dbraw/zinc/32/22/21/359322221.db2.gz IODPUBBIHNHEQS-ZCFIWIBFSA-N 1 0 215.684 1.358 10 0 BDAERO CC[C@@H](C[NH3+])N1CC(F)(F)C(F)(F)C1 ZINC000306221806 359343163 /nfs/dbraw/zinc/34/31/63/359343163.db2.gz JRHNWUBHLOYVDA-LURJTMIESA-N 1 0 214.206 1.310 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000623764243 359343169 /nfs/dbraw/zinc/34/31/69/359343169.db2.gz APTMQINUFBHBKV-NWDGAFQWSA-N 1 0 213.321 1.306 10 0 BDAERO CC[C@H](C[NH3+])N1CC(F)(F)C(F)(F)C1 ZINC000306221814 359343291 /nfs/dbraw/zinc/34/32/91/359343291.db2.gz JRHNWUBHLOYVDA-ZCFIWIBFSA-N 1 0 214.206 1.310 10 0 BDAERO C[C@H]([NH3+])C(C)(C)CN1CCC(F)(F)C1 ZINC000306222782 359345626 /nfs/dbraw/zinc/34/56/26/359345626.db2.gz KUGXWROAPWNMFU-QMMMGPOBSA-N 1 0 206.280 1.701 10 0 BDAERO [NH3+]C[C@@]1(c2ncncc2Cl)CCCS1 ZINC000306224780 359349267 /nfs/dbraw/zinc/34/92/67/359349267.db2.gz LAXKWAVKOJOBIP-SECBINFHSA-N 1 0 229.736 1.811 10 0 BDAERO C[C@H]([C@H](C)[NH3+])N1CC(F)(F)C(F)(F)C1 ZINC000306239864 359409764 /nfs/dbraw/zinc/40/97/64/359409764.db2.gz QNMWJKFEOTYUMP-NTSWFWBYSA-N 1 0 214.206 1.308 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1OCc1csnn1 ZINC000306234849 359392848 /nfs/dbraw/zinc/39/28/48/359392848.db2.gz NIWZBUZUPWVHOT-RKDXNWHRSA-N 1 0 213.306 1.325 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H](F)C1 ZINC000306290655 359527444 /nfs/dbraw/zinc/52/74/44/359527444.db2.gz PWDKRUDCBPHAHY-RKDXNWHRSA-N 1 0 202.273 1.074 10 0 BDAERO C[C@H]([NH3+])CC(=O)N1CCCC[C@H](F)C1 ZINC000306290654 359527746 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/nfs/dbraw/zinc/46/31/21/360463121.db2.gz BPJYUAKKGUQANW-ZETCQYMHSA-N 1 0 200.307 1.246 10 0 BDAERO O=[S@@](C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000306603434 360532298 /nfs/dbraw/zinc/53/22/98/360532298.db2.gz MQYRUIBZZQMXIK-GWCFXTLKSA-N 1 0 201.335 1.430 10 0 BDAERO C[C@H]1COCC[C@H]1NC1=[NH+]CCS1 ZINC000300815286 360517663 /nfs/dbraw/zinc/51/76/63/360517663.db2.gz AYJFINZORKHJMK-JGVFFNPUSA-N 1 0 200.307 1.104 10 0 BDAERO NC(=O)c1ccc2[nH]cc(C3=CC[NH2+]CC3)c2c1 ZINC000001482554 181302583 /nfs/dbraw/zinc/30/25/83/181302583.db2.gz ZFUVTKFRXQKWBA-UHFFFAOYSA-N 1 0 241.294 1.644 10 0 BDAERO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2CCF)nn1 ZINC000309544526 491150964 /nfs/dbraw/zinc/15/09/64/491150964.db2.gz ZHMZSFCHCUSHLP-GXSJLCMTSA-N 1 0 226.299 1.433 10 0 BDAERO COC[C@H](C)C[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000151731908 360712037 /nfs/dbraw/zinc/71/20/37/360712037.db2.gz DPYOCDNTDIEKOG-AGIUHOORSA-N 1 0 228.380 1.587 10 0 BDAERO CCOC(=O)CCCCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000149694458 200710474 /nfs/dbraw/zinc/71/04/74/200710474.db2.gz XOYCJYSPZJEIHN-VXGBXAGGSA-N 1 0 243.347 1.877 10 0 BDAERO NC(=S)CCC[NH+]1CCCCCC1 ZINC000019436147 181315046 /nfs/dbraw/zinc/31/50/46/181315046.db2.gz PZLSPTLLGPNEBC-UHFFFAOYSA-N 1 0 200.351 1.929 10 0 BDAERO NC(=S)C[N@@H+]1CCc2sccc2C1 ZINC000019504333 181316120 /nfs/dbraw/zinc/31/61/20/181316120.db2.gz CIWOZRIUZITXBJ-UHFFFAOYSA-N 1 0 212.343 1.392 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000309623597 491152934 /nfs/dbraw/zinc/15/29/34/491152934.db2.gz FEMRHCXNVHLPFQ-STQMWFEESA-N 1 0 219.332 1.970 10 0 BDAERO COc1c(C[NH3+])ccnc1OC(F)(F)F ZINC000238382891 360988685 /nfs/dbraw/zinc/98/86/85/360988685.db2.gz VOBAKGFYLMJLDR-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO COc1ccc(OC(F)(F)F)nc1C[NH3+] ZINC000238384901 360988727 /nfs/dbraw/zinc/98/87/27/360988727.db2.gz PLWOZTRVCQAEPM-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO [NH3+][C@@H](CO)c1cscc1Br ZINC000238595532 361161641 /nfs/dbraw/zinc/16/16/41/361161641.db2.gz LFMUODHVDOMYII-LURJTMIESA-N 1 0 222.107 1.503 10 0 BDAERO [NH3+]Cc1ccc(O)c(OC(F)(F)F)c1 ZINC000238681997 361178260 /nfs/dbraw/zinc/17/82/60/361178260.db2.gz NUHORGRDPLRISQ-UHFFFAOYSA-N 1 0 207.151 1.750 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000379723343 361359892 /nfs/dbraw/zinc/35/98/92/361359892.db2.gz NHWIOYURZJFRKO-YNEHKIRRSA-N 1 0 240.391 1.610 10 0 BDAERO CC[C@H](C)[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000181124568 366787554 /nfs/dbraw/zinc/78/75/54/366787554.db2.gz FFHYFCHQQJKGIB-QJPTWQEYSA-N 1 0 214.353 1.172 10 0 BDAERO CCC[C@@H](C(=O)N[C@@H](CC)CSC)[NH+](C)C ZINC000181199043 366793992 /nfs/dbraw/zinc/79/39/92/366793992.db2.gz MNFIZAJRAWJEND-QWRGUYRKSA-N 1 0 246.420 1.975 10 0 BDAERO CCOc1ccc([C@H]2C[NH2+]CCN2)cc1 ZINC000041215219 361464258 /nfs/dbraw/zinc/46/42/58/361464258.db2.gz MJQQNXVZSPTWGJ-GFCCVEGCSA-N 1 0 206.289 1.319 10 0 BDAERO CCN(Cc1ccoc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000629599899 361491154 /nfs/dbraw/zinc/49/11/54/361491154.db2.gz OEFDHQXSYBJTSV-RYUDHWBXSA-N 1 0 236.315 1.756 10 0 BDAERO CCN(Cc1ccoc1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000629600107 361491260 /nfs/dbraw/zinc/49/12/60/361491260.db2.gz SHYHEWBUOOOCEA-WDEREUQCSA-N 1 0 240.278 1.328 10 0 BDAERO OC1(c2ccsn2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000306637677 361570461 /nfs/dbraw/zinc/57/04/61/361570461.db2.gz BRTAQWAGIBGFQD-JWHQNHQBSA-N 1 0 210.302 1.245 10 0 BDAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(-c3ccco3)no2)C1 ZINC000629687621 361612302 /nfs/dbraw/zinc/61/23/02/361612302.db2.gz YENOYHQTHRWAOG-UFBFGSQYSA-N 1 0 249.270 1.553 10 0 BDAERO [NH2+]=C1NC[C@H](c2c(Cl)cccc2Cl)N1 ZINC000027704472 181339497 /nfs/dbraw/zinc/33/94/97/181339497.db2.gz FITBVWKJEYYNQR-SSDOTTSWSA-N 1 0 230.098 1.952 10 0 BDAERO [NH2+]=C1NCCc2cc(Cl)c(O)cc2N1 ZINC000045260197 181339559 /nfs/dbraw/zinc/33/95/59/181339559.db2.gz YESQZMGQCUWVJT-UHFFFAOYSA-N 1 0 211.652 1.328 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000434540371 201224921 /nfs/dbraw/zinc/22/49/21/201224921.db2.gz MHNRPNYHNGXRKX-OLZOCXBDSA-N 1 0 247.379 1.255 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C[C@H](C)O)C(C)C ZINC000434540373 201226717 /nfs/dbraw/zinc/22/67/17/201226717.db2.gz MHNRPNYHNGXRKX-QWHCGFSZSA-N 1 0 247.379 1.255 10 0 BDAERO [NH3+]C1CCC(C(=O)NCc2nccs2)CC1 ZINC000041013381 181340803 /nfs/dbraw/zinc/34/08/03/181340803.db2.gz CCXBGFLRKKJNIY-UHFFFAOYSA-N 1 0 239.344 1.277 10 0 BDAERO [NH2+]=C1N[C@@]2(CO1)CCc1ccccc1C2 ZINC000013743776 181340366 /nfs/dbraw/zinc/34/03/66/181340366.db2.gz ZFZUYTCCHMWWTD-LBPRGKRZSA-N 1 0 202.257 1.259 10 0 BDAERO [NH3+][C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000070626509 361666510 /nfs/dbraw/zinc/66/65/10/361666510.db2.gz URZOYUGHEWNMFZ-YFKPBYRVSA-N 1 0 205.183 1.175 10 0 BDAERO [NH3+]C1CCC(OCCc2ccccn2)CC1 ZINC000055143192 181342315 /nfs/dbraw/zinc/34/23/15/181342315.db2.gz LRFNDYSTQCIJDF-UHFFFAOYSA-N 1 0 220.316 1.911 10 0 BDAERO [NH3+]C1CCC(c2nnc(C3CC3)[nH]2)CC1 ZINC000041058695 181342576 /nfs/dbraw/zinc/34/25/76/181342576.db2.gz LPZCVPIOISCQLQ-UHFFFAOYSA-N 1 0 206.293 1.667 10 0 BDAERO Cc1nn(Cc2ccsc2)cc1C[NH3+] ZINC000070630892 361684099 /nfs/dbraw/zinc/68/40/99/361684099.db2.gz OEXAKDCTDMWSCB-UHFFFAOYSA-N 1 0 207.302 1.760 10 0 BDAERO C[C@@]([NH3+])(C(N)=O)c1ccc(F)cc1Cl ZINC000070652641 361698742 /nfs/dbraw/zinc/69/87/42/361698742.db2.gz BUXXVKPDEZLSJS-VIFPVBQESA-N 1 0 216.643 1.138 10 0 BDAERO [NH3+]CC(=O)Cc1c(F)cccc1Cl ZINC000082639031 181348769 /nfs/dbraw/zinc/34/87/69/181348769.db2.gz LWYMOYCHIUCVIK-UHFFFAOYSA-N 1 0 201.628 1.549 10 0 BDAERO [NH3+][C@H]1CC[C@@](O)(C(F)(F)Br)C1 ZINC000225658264 363857914 /nfs/dbraw/zinc/85/79/14/363857914.db2.gz JWAKJQMKBMAPQC-WHFBIAKZSA-N 1 0 230.052 1.216 10 0 BDAERO Cc1cn2c(/C=C\C[NH3+])c(C)nc2s1 ZINC000214887957 363877075 /nfs/dbraw/zinc/87/70/75/363877075.db2.gz HMLMILSJXZJSRF-ARJAWSKDSA-N 1 0 207.302 1.985 10 0 BDAERO C[C@@H](C[NH+](C)C)Nc1ccnc(Cl)n1 ZINC000130661150 363898831 /nfs/dbraw/zinc/89/88/31/363898831.db2.gz PUSPUPAHKDVBNS-ZETCQYMHSA-N 1 0 214.700 1.492 10 0 BDAERO CO[C@@H]1CN(Cc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630355750 364077356 /nfs/dbraw/zinc/07/73/56/364077356.db2.gz KIZIYTYRXCUOOD-UONOGXRCSA-N 1 0 234.343 1.625 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630359389 364078636 /nfs/dbraw/zinc/07/86/36/364078636.db2.gz CTJSPKXEPPLGQS-QJPTWQEYSA-N 1 0 214.353 1.471 10 0 BDAERO CCC[C@H](C)C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630360240 364081040 /nfs/dbraw/zinc/08/10/40/364081040.db2.gz GDTNTFLPHCBPOJ-GMXVVIOVSA-N 1 0 242.363 1.387 10 0 BDAERO CC(C)CNC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241517 541329653 /nfs/dbraw/zinc/32/96/53/541329653.db2.gz HFWMLNPPVPHSHA-UHFFFAOYSA-N 1 0 225.336 1.180 10 0 BDAERO C[C@@H]1CO[C@@H](C[NH3+])CN1Cc1ccccc1 ZINC000038673981 364051402 /nfs/dbraw/zinc/05/14/02/364051402.db2.gz SEZNKYANPTZLKD-YPMHNXCESA-N 1 0 220.316 1.235 10 0 BDAERO CO[C@H]1CN(Cc2cncc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364087 364083074 /nfs/dbraw/zinc/08/30/74/364083074.db2.gz CMPMYPOVNQWSOC-ZIAGYGMSSA-N 1 0 249.358 1.328 10 0 BDAERO CO[C@@H]1CN(Cc2ccc(C)nc2)[C@@](C)(C[NH3+])C1 ZINC000630366334 364086530 /nfs/dbraw/zinc/08/65/30/364086530.db2.gz KCXWXQYJUCFVCG-UONOGXRCSA-N 1 0 249.358 1.328 10 0 BDAERO CO[C@H]1CN(Cc2cccnc2C)[C@@](C)(C[NH3+])C1 ZINC000630368891 364086585 /nfs/dbraw/zinc/08/65/85/364086585.db2.gz UAPVRRMIWIYOFU-ZIAGYGMSSA-N 1 0 249.358 1.328 10 0 BDAERO CC[C@H](C)CC(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630373064 364088885 /nfs/dbraw/zinc/08/88/85/364088885.db2.gz IUQQXVBOOBZNQK-GMXVVIOVSA-N 1 0 242.363 1.387 10 0 BDAERO [NH3+]CC(=O)Nc1ccc(F)cc1Cl ZINC000020302437 181355760 /nfs/dbraw/zinc/35/57/60/181355760.db2.gz ZKMCXYDPJDZPLB-UHFFFAOYSA-N 1 0 202.616 1.376 10 0 BDAERO [NH3+]CC(=O)Nc1ccccc1OC(F)(F)F ZINC000019474347 181356053 /nfs/dbraw/zinc/35/60/53/181356053.db2.gz YZCRYCXFMLTHGL-UHFFFAOYSA-N 1 0 234.177 1.482 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000725263572 541336938 /nfs/dbraw/zinc/33/69/38/541336938.db2.gz RMPWDDMMCCPGKL-NEPJUHHUSA-N 1 0 241.379 1.801 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cn[nH]c(=O)c1Cl ZINC000630527044 364214267 /nfs/dbraw/zinc/21/42/67/364214267.db2.gz GRRQFKGHDULTOW-NKWVEPMBSA-N 1 0 242.710 1.388 10 0 BDAERO C[NH2+]CCOCCNc1nccc2ccccc21 ZINC000630527204 364214316 /nfs/dbraw/zinc/21/43/16/364214316.db2.gz KWZXVOFFKRSYLV-UHFFFAOYSA-N 1 0 245.326 1.883 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(F)cn1 ZINC000630529385 364217565 /nfs/dbraw/zinc/21/75/65/364217565.db2.gz SUZSLVQOOOBENL-VHSXEESVSA-N 1 0 209.268 1.773 10 0 BDAERO Cc1cnc(C)c(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630549302 364242333 /nfs/dbraw/zinc/24/23/33/364242333.db2.gz JWGDSSXJSMAGJD-GFCCVEGCSA-N 1 0 234.347 1.801 10 0 BDAERO Cc1cnc(N2CCCCC[C@H]([NH3+])C2)nc1 ZINC000630549849 364243846 /nfs/dbraw/zinc/24/38/46/364243846.db2.gz QFGFPJAPHQIKCI-NSHDSACASA-N 1 0 220.320 1.493 10 0 BDAERO Cc1nnc(N2CCCCC[C@@H]([NH3+])C2)s1 ZINC000630548704 364245234 /nfs/dbraw/zinc/24/52/34/364245234.db2.gz JGIHZUGCSJKAKW-SECBINFHSA-N 1 0 226.349 1.554 10 0 BDAERO CCc1cc(N2C[C@H](C)[C@H](C[NH3+])C2)nc(C)n1 ZINC000630552335 364246390 /nfs/dbraw/zinc/24/63/90/364246390.db2.gz CYAIBYQSEDVVPQ-GXSJLCMTSA-N 1 0 234.347 1.378 10 0 BDAERO CCc1cc(CC)nc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630552331 364246900 /nfs/dbraw/zinc/24/69/00/364246900.db2.gz CVHQCUANWOGGCW-MNOVXSKESA-N 1 0 248.374 1.632 10 0 BDAERO C[C@H]1CN(c2nnc(C(F)F)s2)C[C@H]1C[NH3+] ZINC000630554514 364250427 /nfs/dbraw/zinc/25/04/27/364250427.db2.gz PTQHZQVBSWAMGD-NTSWFWBYSA-N 1 0 248.302 1.507 10 0 BDAERO [NH3+]CC1(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000077368134 181359364 /nfs/dbraw/zinc/35/93/64/181359364.db2.gz RCFOOCJWTHCUKI-UHFFFAOYSA-N 1 0 234.255 1.093 10 0 BDAERO [NH3+][C@H](CCNc1ncccn1)Cc1ccccc1 ZINC000630565906 364263577 /nfs/dbraw/zinc/26/35/77/364263577.db2.gz BSQGTRIQUHPAHZ-CYBMUJFWSA-N 1 0 242.326 1.849 10 0 BDAERO Cc1noc2ncnc(N[C@H]3CC[C@H](C)[NH2+]C3)c12 ZINC000630533546 364226166 /nfs/dbraw/zinc/22/61/66/364226166.db2.gz CXEYAPWJCKTDAN-CBAPKCEASA-N 1 0 247.302 1.479 10 0 BDAERO C[C@@H]1CC[C@H](Nc2ccncc2Cl)C[NH2+]1 ZINC000630533875 364226597 /nfs/dbraw/zinc/22/65/97/364226597.db2.gz GRASBVBDWGSNPJ-BDAKNGLRSA-N 1 0 225.723 1.709 10 0 BDAERO C[C@H]1CC[C@@H](Nc2ccncc2Cl)C[NH2+]1 ZINC000630533876 364227426 /nfs/dbraw/zinc/22/74/26/364227426.db2.gz GRASBVBDWGSNPJ-DTWKUNHWSA-N 1 0 225.723 1.709 10 0 BDAERO CCOc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)ncn1 ZINC000630535627 364228552 /nfs/dbraw/zinc/22/85/52/364228552.db2.gz YERQLVPFCKNBNB-VHSXEESVSA-N 1 0 236.319 1.428 10 0 BDAERO C[C@H]1CC[C@@H](Nc2nc3ccccc3[nH]2)C[NH2+]1 ZINC000630534854 364229522 /nfs/dbraw/zinc/22/95/22/364229522.db2.gz PUMFWWOVMRUDFU-VHSXEESVSA-N 1 0 230.315 1.537 10 0 BDAERO C[C@H]1CC[C@H](Nc2nc3ccccc3[nH]2)C[NH2+]1 ZINC000630534852 364229529 /nfs/dbraw/zinc/22/95/29/364229529.db2.gz PUMFWWOVMRUDFU-UWVGGRQHSA-N 1 0 230.315 1.537 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000037622729 364337918 /nfs/dbraw/zinc/33/79/18/364337918.db2.gz WGIXVTMUOVTXBK-JYBOHDQNSA-N 1 0 240.347 1.140 10 0 BDAERO [NH3+]CC1(c2cc(F)ccc2F)OCCO1 ZINC000049815753 181361630 /nfs/dbraw/zinc/36/16/30/181361630.db2.gz WHCZUDYPQCZRQG-UHFFFAOYSA-N 1 0 215.199 1.123 10 0 BDAERO CC(C)CCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170829506 364380291 /nfs/dbraw/zinc/38/02/91/364380291.db2.gz ZVAHFBVZEIWQFI-LBPRGKRZSA-N 1 0 241.379 1.768 10 0 BDAERO [NH3+]CC1(c2ncc(Br)cn2)CC1 ZINC000095802959 181363932 /nfs/dbraw/zinc/36/39/32/181363932.db2.gz VYYMCCZXGBXARA-UHFFFAOYSA-N 1 0 228.093 1.229 10 0 BDAERO CC[C@H](C)[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170834102 364442509 /nfs/dbraw/zinc/44/25/09/364442509.db2.gz MGUNVSFIGKQLMA-TUAOUCFPSA-N 1 0 241.379 1.767 10 0 BDAERO CC(C)[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]2C)CC1 ZINC000170836859 364446431 /nfs/dbraw/zinc/44/64/31/364446431.db2.gz OQACSLKQFFLMFS-JQWIXIFHSA-N 1 0 239.363 1.567 10 0 BDAERO [NH3+]CC1CCC(C(=O)NCc2cccnc2)CC1 ZINC000042750761 181364523 /nfs/dbraw/zinc/36/45/23/181364523.db2.gz YVSCXIVQCHQOEM-UHFFFAOYSA-N 1 0 247.342 1.463 10 0 BDAERO C[C@@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH+](C)C)C1 ZINC000090815378 364534747 /nfs/dbraw/zinc/53/47/47/364534747.db2.gz ZENFBHBBYLJUDA-QWRGUYRKSA-N 1 0 242.363 1.353 10 0 BDAERO CCCSCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864862 364544887 /nfs/dbraw/zinc/54/48/87/364544887.db2.gz SIIATLKXIBITIJ-JTQLQIEISA-N 1 0 230.377 1.292 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCF)C1 ZINC000246741084 364609039 /nfs/dbraw/zinc/60/90/39/364609039.db2.gz GSYVXAKSQHXLLJ-GHMZBOCLSA-N 1 0 245.342 1.374 10 0 BDAERO CC(C)OCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247236195 364621074 /nfs/dbraw/zinc/62/10/74/364621074.db2.gz RVAGXTLUDHENDS-ZDUSSCGKSA-N 1 0 226.364 1.582 10 0 BDAERO [NH3+]CCC(=O)Nc1ccc(F)cc1F ZINC000011755210 181368883 /nfs/dbraw/zinc/36/88/83/181368883.db2.gz DPYOWZNAYKNWIE-UHFFFAOYSA-N 1 0 200.188 1.252 10 0 BDAERO CCSCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248359010 364629324 /nfs/dbraw/zinc/62/93/24/364629324.db2.gz RLPYLPMAPKYIKV-LBPRGKRZSA-N 1 0 228.405 1.910 10 0 BDAERO [NH3+]CCC(=O)OCCc1cc(Cl)ccc1F ZINC000077400469 181370790 /nfs/dbraw/zinc/37/07/90/181370790.db2.gz XFAILHSVUOKRLC-UHFFFAOYSA-N 1 0 245.681 1.914 10 0 BDAERO [NH3+]CCC1(c2ccc3c(c2)CCC3)OCCO1 ZINC000049825472 181369834 /nfs/dbraw/zinc/36/98/34/181369834.db2.gz ZHPLUNRGUNESEK-UHFFFAOYSA-N 1 0 233.311 1.724 10 0 BDAERO [NH3+]CCC1(c2ccc(Cl)cc2)OCCO1 ZINC000049821000 181370403 /nfs/dbraw/zinc/37/04/03/181370403.db2.gz UMQVAOOCFXUNPT-UHFFFAOYSA-N 1 0 227.691 1.888 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C ZINC000081941077 541383398 /nfs/dbraw/zinc/38/33/98/541383398.db2.gz SBNAQCQQUKJXSQ-WDEREUQCSA-N 1 0 247.404 1.978 10 0 BDAERO CCOC(=O)[C@H]1CNc2[nH+]c(CC)cn2C1 ZINC000233692761 541395263 /nfs/dbraw/zinc/39/52/63/541395263.db2.gz XWUDJDOPCQRDRT-QMMMGPOBSA-N 1 0 223.276 1.050 10 0 BDAERO [NH3+]CCCCCCC(=O)Nc1ncccc1O ZINC000134454856 181375529 /nfs/dbraw/zinc/37/55/29/181375529.db2.gz BXVLTBUCQZBJSZ-UHFFFAOYSA-N 1 0 237.303 1.635 10 0 BDAERO [NH3+]CCCCS(=O)(=O)c1ccccc1 ZINC000020223510 181378238 /nfs/dbraw/zinc/37/82/38/181378238.db2.gz BXNMAEZSZBRRKF-UHFFFAOYSA-N 1 0 213.302 1.199 10 0 BDAERO [NH3+]CCCCn1cc(C(F)(F)F)ccc1=O ZINC000057832525 181379579 /nfs/dbraw/zinc/37/95/79/181379579.db2.gz MDXFVKWLVOKRPV-UHFFFAOYSA-N 1 0 234.221 1.606 10 0 BDAERO [NH3+]CCCS(=O)(=O)Cc1ccc(F)cc1 ZINC000058250648 181385003 /nfs/dbraw/zinc/38/50/03/181385003.db2.gz ZUBAWVIBGVNGOG-UHFFFAOYSA-N 1 0 231.292 1.089 10 0 BDAERO [NH3+]CCC[S@@](=O)c1ccc2c(c1)CCC2 ZINC000040954837 181385529 /nfs/dbraw/zinc/38/55/29/181385529.db2.gz ALWCLIPVMYLTIM-HNNXBMFYSA-N 1 0 223.341 1.632 10 0 BDAERO [NH3+]CCCc1ccc(Br)nc1 ZINC000044280492 181386483 /nfs/dbraw/zinc/38/64/83/181386483.db2.gz SWOISGWRHVSWLC-UHFFFAOYSA-N 1 0 215.094 1.735 10 0 BDAERO [NH3+]CCCc1noc(-c2ccsc2)n1 ZINC000054139162 181388001 /nfs/dbraw/zinc/38/80/01/181388001.db2.gz UQDSZMXFYSMZHV-UHFFFAOYSA-N 1 0 209.274 1.689 10 0 BDAERO [NH3+]CCN(Cc1ccncc1)C1CCCC1 ZINC000042428171 181390962 /nfs/dbraw/zinc/39/09/62/181390962.db2.gz QBSJSKNDRTTYFD-UHFFFAOYSA-N 1 0 219.332 1.785 10 0 BDAERO [NH3+]CCNc1nccc(-c2ccc(F)cc2)n1 ZINC000002538427 181398640 /nfs/dbraw/zinc/39/86/40/181398640.db2.gz YRVDXXOCLOXBNZ-UHFFFAOYSA-N 1 0 232.262 1.653 10 0 BDAERO [NH3+]CCOCCc1ccc2c(c1)ncn2C1CC1 ZINC000077399921 181399488 /nfs/dbraw/zinc/39/94/88/181399488.db2.gz ARCAACWFCIUQRO-UHFFFAOYSA-N 1 0 245.326 1.889 10 0 BDAERO [NH3+]CCOCc1cc(Br)cs1 ZINC000051864651 181399593 /nfs/dbraw/zinc/39/95/93/181399593.db2.gz MNWDTWJDPAYJDD-UHFFFAOYSA-N 1 0 236.134 1.986 10 0 BDAERO [NH3+]CC[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC000095556617 181410838 /nfs/dbraw/zinc/41/08/38/181410838.db2.gz LJKUWGLQYXGUBX-NWDGAFQWSA-N 1 0 207.273 1.840 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccnc2ccccc21 ZINC000083284088 181403745 /nfs/dbraw/zinc/40/37/45/181403745.db2.gz WSBVNYHYBXOSSC-GFCCVEGCSA-N 1 0 202.257 1.617 10 0 BDAERO [NH3+]CC[C@@H](O)c1nc2ccccc2s1 ZINC000082945485 181403830 /nfs/dbraw/zinc/40/38/30/181403830.db2.gz DJAIDRCCQOVFKY-MRVPVSSYSA-N 1 0 208.286 1.679 10 0 BDAERO [NH3+]CCc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000041161476 181412026 /nfs/dbraw/zinc/41/20/26/181412026.db2.gz XLVZBUQDPVFZFI-UHFFFAOYSA-N 1 0 228.299 1.850 10 0 BDAERO [NH3+]CCc1csc(C2CCOCC2)n1 ZINC000082642017 181413462 /nfs/dbraw/zinc/41/34/62/181413462.db2.gz BABAGYCATXZAOE-UHFFFAOYSA-N 1 0 212.318 1.538 10 0 in-vitro BDAERO [NH3+]C[C@@H](CO)Cc1cccc2ccccc21 ZINC000019275427 181418429 /nfs/dbraw/zinc/41/84/29/181418429.db2.gz DXEYEAUODAELSA-NSHDSACASA-N 1 0 215.296 1.950 10 0 BDAERO [NH3+]C[C@@H](O)CSc1ccc(F)cc1 ZINC000019686716 181421794 /nfs/dbraw/zinc/42/17/94/181421794.db2.gz ZRNZGYBMYPXTDY-MRVPVSSYSA-N 1 0 201.266 1.237 10 0 BDAERO [NH3+]C[C@@H](O)c1ccccc1OC(F)F ZINC000021949265 181422957 /nfs/dbraw/zinc/42/29/57/181422957.db2.gz VJIIIIBLGLDHOO-SSDOTTSWSA-N 1 0 203.188 1.280 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)N(Cc2ccc(Cl)s2)C1 ZINC000070600968 181426850 /nfs/dbraw/zinc/42/68/50/181426850.db2.gz FPZNBLUVQVMOCK-ZETCQYMHSA-N 1 0 244.747 1.709 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000019669328 181427099 /nfs/dbraw/zinc/42/70/99/181427099.db2.gz YJCPFPUVZDODRO-JTQLQIEISA-N 1 0 222.263 1.133 10 0 BDAERO CC(=O)N1CC[C@@H]2CC[C@]21[C@H]1CCC[NH2+]C1 ZINC000685947525 541496674 /nfs/dbraw/zinc/49/66/74/541496674.db2.gz OYBXSFMBJKMTMO-RWMBFGLXSA-N 1 0 222.332 1.387 10 0 BDAERO CC(C)(C)c1cn2c(n1)nccc2C[NH3+] ZINC000232521493 541505276 /nfs/dbraw/zinc/50/52/76/541505276.db2.gz IICIGBSFNYIGAP-UHFFFAOYSA-N 1 0 204.277 1.486 10 0 BDAERO CCc1nn2c(c1C)NC[C@H]1C[NH2+]CC[C@@H]12 ZINC000234190444 541511118 /nfs/dbraw/zinc/51/11/18/541511118.db2.gz WKFVHNJXOSUACH-KOLCDFICSA-N 1 0 220.320 1.330 10 0 BDAERO CCc1nn2c(c1C)NC[C@@H]1C[NH2+]CC[C@@H]12 ZINC000234190492 541511512 /nfs/dbraw/zinc/51/15/12/541511512.db2.gz WKFVHNJXOSUACH-ONGXEEELSA-N 1 0 220.320 1.330 10 0 BDAERO CC(C)c1cc2ncc3c(n2n1)CC[NH2+]C3 ZINC000232776738 541507872 /nfs/dbraw/zinc/50/78/72/541507872.db2.gz VOWNQSHZTIUAHI-UHFFFAOYSA-N 1 0 216.288 1.498 10 0 BDAERO CCCCc1cc2n(n1)[C@H](C[NH3+])CCN2 ZINC000233005478 541508619 /nfs/dbraw/zinc/50/86/19/541508619.db2.gz WLNOUTJBTRNYOM-JTQLQIEISA-N 1 0 208.309 1.541 10 0 BDAERO CCCc1ccc([C@@H]2CC[NH+]=C(N)N2)cc1 ZINC000233405895 541509085 /nfs/dbraw/zinc/50/90/85/541509085.db2.gz SWMCACUTSONLTQ-LBPRGKRZSA-N 1 0 217.316 1.988 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000366124246 367065905 /nfs/dbraw/zinc/06/59/05/367065905.db2.gz LHFNGPCTLAMPDF-ZIAGYGMSSA-N 1 0 241.375 1.896 10 0 BDAERO CC[C@H]([NH2+]C[C@](C)(O)COC)C(C)(C)C ZINC000380344455 367188719 /nfs/dbraw/zinc/18/87/19/367188719.db2.gz SSHHCYRTBVFWHG-JQWIXIFHSA-N 1 0 217.353 1.798 10 0 BDAERO CCOCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000170850851 535447503 /nfs/dbraw/zinc/44/75/03/535447503.db2.gz GYYDBVZIPMRLBZ-UHFFFAOYSA-N 1 0 240.347 1.110 10 0 BDAERO Cc1ccc(F)c(C[NH2+][C@@H]2C[C@H]2CO)c1 ZINC000382195000 367496093 /nfs/dbraw/zinc/49/60/93/367496093.db2.gz CWBJJMZHUNTICZ-CMPLNLGQSA-N 1 0 209.264 1.605 10 0 BDAERO CCCC(=O)N(CC)[C@H]1CCC[NH2+]CC1 ZINC000381834070 367460663 /nfs/dbraw/zinc/46/06/63/367460663.db2.gz OKKQEAKHNLJDTH-NSHDSACASA-N 1 0 212.337 1.777 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000382851241 367563383 /nfs/dbraw/zinc/56/33/83/367563383.db2.gz JOKYEDLYPUCPCK-NEPJUHHUSA-N 1 0 247.379 1.255 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@](C)(O)C(F)(F)F ZINC000382272071 367502852 /nfs/dbraw/zinc/50/28/52/367502852.db2.gz ZJEKMMQKKNSQEX-PRJMDXOYSA-N 1 0 227.226 1.067 10 0 BDAERO CC(C)OCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000383363284 367616876 /nfs/dbraw/zinc/61/68/76/367616876.db2.gz DYVPRCHRYDKLAR-NWDGAFQWSA-N 1 0 242.363 1.306 10 0 BDAERO CSCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384588452 367703567 /nfs/dbraw/zinc/70/35/67/367703567.db2.gz VBYJBMAQLNKSHB-VHSXEESVSA-N 1 0 230.377 1.244 10 0 BDAERO CCOC(=O)c1ccc(N(C)C2CC([NH3+])C2)nc1 ZINC000384841944 367741521 /nfs/dbraw/zinc/74/15/21/367741521.db2.gz JFBZDJSWTGMSKI-UHFFFAOYSA-N 1 0 249.314 1.184 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000384853861 367744877 /nfs/dbraw/zinc/74/48/77/367744877.db2.gz LLMXKDLWFKKXNT-UTUOFQBUSA-N 1 0 213.321 1.401 10 0 BDAERO [NH3+]C[C@@H]1CCCN1c1ccnc(Cl)n1 ZINC000095072583 181430656 /nfs/dbraw/zinc/43/06/56/181430656.db2.gz JZYUFRRUXRRDAY-ZETCQYMHSA-N 1 0 212.684 1.058 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H](C(=O)NC2CCCC2)C1 ZINC000055144999 181432012 /nfs/dbraw/zinc/43/20/12/181432012.db2.gz SFOUUSBNWFXUKP-MNOVXSKESA-N 1 0 224.348 1.810 10 0 BDAERO CC(C)(CO)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000385894886 367878664 /nfs/dbraw/zinc/87/86/64/367878664.db2.gz NMWATSLQBBCYBW-IJLUTSLNSA-N 1 0 241.375 1.798 10 0 BDAERO CC(C)(C)c1ccnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000385388029 367825079 /nfs/dbraw/zinc/82/50/79/367825079.db2.gz RKFGFAHABVTVGO-MNOVXSKESA-N 1 0 246.358 1.572 10 0 BDAERO C[C@H](N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C)C1(C)CC1 ZINC000385432111 367828964 /nfs/dbraw/zinc/82/89/64/367828964.db2.gz JZZGLGNXPWFTPA-OUAUKWLOSA-N 1 0 224.348 1.489 10 0 BDAERO CC(C)(CO)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000385894887 367877709 /nfs/dbraw/zinc/87/77/09/367877709.db2.gz NMWATSLQBBCYBW-QJPTWQEYSA-N 1 0 241.375 1.798 10 0 BDAERO COc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)sn1 ZINC000399221736 367906953 /nfs/dbraw/zinc/90/69/53/367906953.db2.gz YYXMIWWTCWSTGU-IUCAKERBSA-N 1 0 242.344 1.545 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)C[NH2+]C3)O1 ZINC000386463858 367977332 /nfs/dbraw/zinc/97/73/32/367977332.db2.gz NTNBDFMWMCQNTH-NOZJJQNGSA-N 1 0 246.310 1.796 10 0 BDAERO Cc1cnc(N[C@@H](C)CCC[NH3+])nc1C ZINC000386489947 367980003 /nfs/dbraw/zinc/98/00/03/367980003.db2.gz SBNIHHKRXAQPLX-VIFPVBQESA-N 1 0 208.309 1.633 10 0 BDAERO Cc1cnc(N[C@H]2CCC[C@H]2C[NH3+])nc1C ZINC000386481034 367980083 /nfs/dbraw/zinc/98/00/83/367980083.db2.gz QJWSHPGRRREORO-QWRGUYRKSA-N 1 0 220.320 1.633 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncnc4c3CCC4)C[C@@H]12 ZINC000386732895 368014334 /nfs/dbraw/zinc/01/43/34/368014334.db2.gz BBWMHEUNGICZCQ-YUSALJHKSA-N 1 0 244.342 1.139 10 0 BDAERO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000581954961 368021187 /nfs/dbraw/zinc/02/11/87/368021187.db2.gz QNRKZYNNMSHQNN-FDYHWXHSSA-N 1 0 243.347 1.074 10 0 BDAERO COc1cccnc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252842156 368163560 /nfs/dbraw/zinc/16/35/60/368163560.db2.gz CLZVKODOCHQGRS-SRVKXCTJSA-N 1 0 247.342 1.654 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2CCOC2)=[NH+][C@H]1C ZINC000252947738 368171113 /nfs/dbraw/zinc/17/11/13/368171113.db2.gz NJTLGDVZMDCALQ-HRDYMLBCSA-N 1 0 214.334 1.492 10 0 BDAERO CC[NH2+][C@H](C)CNc1cc(C(C)C)ncn1 ZINC000387426226 368178963 /nfs/dbraw/zinc/17/89/63/368178963.db2.gz HHTVFZNUALVAIW-SNVBAGLBSA-N 1 0 222.336 1.432 10 0 BDAERO CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C[NH3+] ZINC000215055647 368144760 /nfs/dbraw/zinc/14/47/60/368144760.db2.gz ZBNRVIGHEROTFW-HLTSFMKQSA-N 1 0 212.293 1.343 10 0 BDAERO CC[NH2+][C@H](C)CNc1cncc(OCC)n1 ZINC000387469436 368224930 /nfs/dbraw/zinc/22/49/30/368224930.db2.gz SBFIQGAWUDYZHA-SECBINFHSA-N 1 0 224.308 1.285 10 0 BDAERO [NH3+]C[C@@H]1CCN(CC(=O)c2cccs2)C1 ZINC000050250137 181434984 /nfs/dbraw/zinc/43/49/84/181434984.db2.gz GNFWHQKKFHCAQE-VIFPVBQESA-N 1 0 224.329 1.211 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])[C@H]1CCCCS1(=O)=O ZINC000253021656 368303732 /nfs/dbraw/zinc/30/37/32/368303732.db2.gz BWAODFLKHUWTFX-IVZWLZJFSA-N 1 0 219.350 1.327 10 0 BDAERO Cc1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000146747249 368308727 /nfs/dbraw/zinc/30/87/27/368308727.db2.gz VRKWIBQFHZCGIB-YPMHNXCESA-N 1 0 202.301 1.793 10 0 BDAERO CC(C)(C)OC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000168584044 368397047 /nfs/dbraw/zinc/39/70/47/368397047.db2.gz ZOMNYTOUFQZSDZ-BXKDBHETSA-N 1 0 211.305 1.718 10 0 BDAERO CC[C@H]1CN([C@H]2CC[NH2+]C2)CCS1 ZINC000253069670 368443514 /nfs/dbraw/zinc/44/35/14/368443514.db2.gz LUPMJWWWWRRCSD-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO Cc1scc(CNC(=O)[C@@H]2CC[NH2+]C2)c1C ZINC000399850449 368615955 /nfs/dbraw/zinc/61/59/55/368615955.db2.gz YMCQZQJGASKGQN-SNVBAGLBSA-N 1 0 238.356 1.591 10 0 BDAERO O[C@@H](COC1CC[NH2+]CC1)c1ccccc1 ZINC000082003230 368629150 /nfs/dbraw/zinc/62/91/50/368629150.db2.gz FUMKRJQBFMUNJH-ZDUSSCGKSA-N 1 0 221.300 1.489 10 0 BDAERO C[C@@H]1CC[C@]2(C[NH2+]C[C@@H]2C(N)=O)[C@H](C)C1 ZINC000253237289 368659390 /nfs/dbraw/zinc/65/93/90/368659390.db2.gz FLJHIXLNXOGUMJ-BFLSOPEQSA-N 1 0 210.321 1.134 10 0 BDAERO COc1ccccc1CC[C@H]1C[NH2+]CCO1 ZINC000084013210 368846080 /nfs/dbraw/zinc/84/60/80/368846080.db2.gz PJNADVBYAIPEGD-LBPRGKRZSA-N 1 0 221.300 1.616 10 0 BDAERO CC(C)N(CC1CC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085012247 368861853 /nfs/dbraw/zinc/86/18/53/368861853.db2.gz QTLQDPNLYSKZJI-NWDGAFQWSA-N 1 0 224.348 1.761 10 0 BDAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)C ZINC000112462562 368872049 /nfs/dbraw/zinc/87/20/49/368872049.db2.gz PLDDKXMLWYYSFO-GHMZBOCLSA-N 1 0 241.379 1.767 10 0 BDAERO CC1(C)CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000087253373 368889952 /nfs/dbraw/zinc/88/99/52/368889952.db2.gz SYUWGHNPBRSCGA-GFCCVEGCSA-N 1 0 210.321 1.387 10 0 BDAERO CC[C@H]([NH3+])CNc1ccc2nccnc2n1 ZINC000087201210 368890536 /nfs/dbraw/zinc/89/05/36/368890536.db2.gz PLPODCQBYCBITQ-QMMMGPOBSA-N 1 0 217.276 1.174 10 0 BDAERO Fc1ccc2c(c1)C[C@@H](C[C@H]1C[NH+]=CN1)C2 ZINC000003993518 368891323 /nfs/dbraw/zinc/89/13/23/368891323.db2.gz HBMJQYDGBNSZMC-ZANVPECISA-N 1 0 218.275 1.931 10 0 in-vivo BDAERO C[C@H]([NH3+])c1nnc([C@H]2CO[C@H](C)C2)s1 ZINC000253362043 368939772 /nfs/dbraw/zinc/93/97/72/368939772.db2.gz FNRYEPDTAUCRFD-DSYKOEDSSA-N 1 0 213.306 1.450 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000623766315 369001615 /nfs/dbraw/zinc/00/16/15/369001615.db2.gz DJCJWSOWRQXCGI-IUCAKERBSA-N 1 0 247.747 1.641 10 0 BDAERO C[NH+]1CCN(c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000006381423 369046948 /nfs/dbraw/zinc/04/69/48/369046948.db2.gz HBHDAKJJVDSXKU-UHFFFAOYSA-N 1 0 243.310 1.280 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1OC(=O)N1CCCCCC1 ZINC000131784063 259535647 /nfs/dbraw/zinc/53/56/47/259535647.db2.gz NOEMGIYVJCVAMX-GHMZBOCLSA-N 1 0 226.320 1.879 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1OC(=O)N1CCCC1 ZINC000131800687 259535861 /nfs/dbraw/zinc/53/58/61/259535861.db2.gz WWNWEVOEEZRXDA-NXEZZACHSA-N 1 0 212.293 1.489 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1OC(=O)N1CCCC1 ZINC000131801087 259535993 /nfs/dbraw/zinc/53/59/93/259535993.db2.gz WWNWEVOEEZRXDA-VHSXEESVSA-N 1 0 212.293 1.489 10 0 BDAERO [NH3+]C[C@@]1(Cc2cc(F)ccc2F)CCOC1 ZINC000054637733 181441753 /nfs/dbraw/zinc/44/17/53/181441753.db2.gz NCHPRSLJOIWYRR-LBPRGKRZSA-N 1 0 227.254 1.873 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cnc3ccccc3c2)C1 ZINC000616611979 369102017 /nfs/dbraw/zinc/10/20/17/369102017.db2.gz IOOGMTGFYUKCLL-ZDUSSCGKSA-N 1 0 241.338 1.983 10 0 BDAERO [NH3+]C[C@H]1CNc2cc(Br)ccc21 ZINC000071483777 181467480 /nfs/dbraw/zinc/46/74/80/181467480.db2.gz OIYPJEMYLPAHEX-LURJTMIESA-N 1 0 227.105 1.917 10 0 BDAERO [NH3+]C[C@H]1CCCN1c1nccc(Cl)n1 ZINC000095072590 181461579 /nfs/dbraw/zinc/46/15/79/181461579.db2.gz BVCMYNVWGYVJRW-SSDOTTSWSA-N 1 0 212.684 1.058 10 0 BDAERO 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10 0 BDAERO CCc1nsc(O[C@H]2CCC[C@H]2[NH3+])n1 ZINC000131658287 371643475 /nfs/dbraw/zinc/64/34/75/371643475.db2.gz BPPLLGLMDZRXPX-RQJHMYQMSA-N 1 0 213.306 1.359 10 0 BDAERO C[C@H]1[NH2+]CC[C@H]1C(=O)Cc1ccccc1 ZINC000226682850 371722841 /nfs/dbraw/zinc/72/28/41/371722841.db2.gz BMLSTCQQEMCJRC-ZYHUDNBSSA-N 1 0 203.285 1.796 10 0 BDAERO O[C@@]1(c2cc(F)ccc2Cl)CC[NH2+]C1 ZINC000162621517 371730986 /nfs/dbraw/zinc/73/09/86/371730986.db2.gz SCEBLWQBWVKCRS-JTQLQIEISA-N 1 0 215.655 1.660 10 0 BDAERO Cc1nc(S[C@H]2CCCC[NH2+]C2)n[nH]1 ZINC000132156719 371757905 /nfs/dbraw/zinc/75/79/05/371757905.db2.gz CIRORRJYCNKQBI-QMMMGPOBSA-N 1 0 212.322 1.347 10 0 BDAERO O=C1CC[C@H]([N@H+]2CCCCC[C@@H]2CO)C1 ZINC000226939370 371760105 /nfs/dbraw/zinc/76/01/05/371760105.db2.gz UZJYEDQYOFOQNJ-WDEREUQCSA-N 1 0 211.305 1.345 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1[S@@](=O)C1CCCC1 ZINC000227052621 371775373 /nfs/dbraw/zinc/77/53/73/371775373.db2.gz XURMYIAIDBSGQK-SUNKGSAMSA-N 1 0 215.362 1.948 10 0 BDAERO C[C@@H]1CCS[C@]2(C[NH2+]C[C@@H](C)C2)N1 ZINC000401702758 371801042 /nfs/dbraw/zinc/80/10/42/371801042.db2.gz PQJXLFWECNNQLK-IVZWLZJFSA-N 1 0 200.351 1.427 10 0 BDAERO CC(C)([NH3+])C[S@@](=O)COCc1ccccc1 ZINC000230092152 371843916 /nfs/dbraw/zinc/84/39/16/371843916.db2.gz LGOUNZXQEBCQIB-MRXNPFEDSA-N 1 0 241.356 1.647 10 0 BDAERO Cc1cnc(CC[NH3+])c(Br)c1 ZINC000162775575 371847914 /nfs/dbraw/zinc/84/79/14/371847914.db2.gz PRPJCMQNPYTZGO-UHFFFAOYSA-N 1 0 215.094 1.654 10 0 BDAERO CN[C@H](C[NH3+])c1ccc(Cl)cc1F ZINC000162992236 371906241 /nfs/dbraw/zinc/90/62/41/371906241.db2.gz FXELIDRMRFZFIK-SECBINFHSA-N 1 0 202.660 1.698 10 0 BDAERO Cc1cc(CN2C[C@H]([NH3+])C2=O)sc1C ZINC000227625831 371908033 /nfs/dbraw/zinc/90/80/33/371908033.db2.gz FQDSCSJRTITSET-VIFPVBQESA-N 1 0 210.302 1.034 10 0 BDAERO Cc1ccc([C@@H](C)N2C[C@H]([NH3+])C2=O)s1 ZINC000227621312 371908495 /nfs/dbraw/zinc/90/84/95/371908495.db2.gz RTRSHHVSKWUVCA-SFYZADRCSA-N 1 0 210.302 1.287 10 0 BDAERO C[C@@H]1CSCCN1c1cc[nH+]c(N)c1 ZINC000227661472 371917891 /nfs/dbraw/zinc/91/78/91/371917891.db2.gz DBBHPEJOBWGMID-MRVPVSSYSA-N 1 0 209.318 1.606 10 0 BDAERO CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1COC1 ZINC000227723676 371926714 /nfs/dbraw/zinc/92/67/14/371926714.db2.gz UIYGUHWMMKINAY-SECBINFHSA-N 1 0 244.335 1.278 10 0 BDAERO CC[S@](=O)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000228010152 371967804 /nfs/dbraw/zinc/96/78/04/371967804.db2.gz GQUMWRWBDDYYEN-DYNIEEOBSA-N 1 0 217.378 1.907 10 0 BDAERO CC(C)(C)OC(=O)N1CCC(C[NH3+])(CF)CC1 ZINC000217554165 371978730 /nfs/dbraw/zinc/97/87/30/371978730.db2.gz OIMAAPGABVJIDK-UHFFFAOYSA-N 1 0 246.326 1.932 10 0 BDAERO [NH3+]C/C=C\Cn1cc(Br)ccc1=O ZINC000217652121 371993321 /nfs/dbraw/zinc/99/33/21/371993321.db2.gz LODFSXBDQRZSHD-UPHRSURJSA-N 1 0 243.104 1.126 10 0 BDAERO C[C@H]([NH3+])[C@@H](O)c1ccc(F)cc1Br ZINC000217907975 372026434 /nfs/dbraw/zinc/02/64/34/372026434.db2.gz YVYKTMVEOJKLKO-SSDLBLMSSA-N 1 0 248.095 1.969 10 0 BDAERO C[C@@H]([NH3+])[C@](C)(O)c1ccc(F)cc1F ZINC000306595401 372041396 /nfs/dbraw/zinc/04/13/96/372041396.db2.gz KZGNPZJZLVXWAL-LDWIPMOCSA-N 1 0 201.216 1.520 10 0 BDAERO Cn1ncc(Br)c1/C=C/C[NH3+] ZINC000306297414 372008103 /nfs/dbraw/zinc/00/81/03/372008103.db2.gz FBEXLIZOTQACLR-NSCUHMNNSA-N 1 0 216.082 1.155 10 0 BDAERO Cc1cnc([C@H](C)N2CC[C@@H]([NH3+])C2)s1 ZINC000229019008 372106315 /nfs/dbraw/zinc/10/63/15/372106315.db2.gz JSMNMZDCYAHDFY-DTWKUNHWSA-N 1 0 211.334 1.546 10 0 BDAERO Cc1nc([C@H](C)N2CC[NH2+]CC2)cs1 ZINC000229144389 372122712 /nfs/dbraw/zinc/12/27/12/372122712.db2.gz WEISXDPVMYZXMW-QMMMGPOBSA-N 1 0 211.334 1.418 10 0 BDAERO CSC(C)(C)C[N@@H+]1C[C@@H](C)NC[C@@H]1C ZINC000229142671 372122361 /nfs/dbraw/zinc/12/23/61/372122361.db2.gz YKFFVBQNWCWABW-ZJUUUORDSA-N 1 0 216.394 1.810 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccsc1Cl ZINC000306836138 372071973 /nfs/dbraw/zinc/07/19/73/372071973.db2.gz UDPCISRWRSEBMJ-RXMQYKEDSA-N 1 0 218.709 1.948 10 0 BDAERO CC[N@@H+]1CC[C@H](n2c(C)c[nH]c2=S)C1 ZINC000306885724 372074221 /nfs/dbraw/zinc/07/42/21/372074221.db2.gz RPLOSWDPHRPDCY-VIFPVBQESA-N 1 0 211.334 1.747 10 0 BDAERO [NH3+][C@@H](c1cnsc1)[C@H]1CSCCS1 ZINC000404597366 372095895 /nfs/dbraw/zinc/09/58/95/372095895.db2.gz SDQJXMPEIOTNEU-SFYZADRCSA-N 1 0 232.399 1.992 10 0 BDAERO Cn1ncc([C@@H]([NH3+])C2CCC2)c1Br ZINC000307220837 372098708 /nfs/dbraw/zinc/09/87/08/372098708.db2.gz IGDSNFPYQCKUGU-QMMMGPOBSA-N 1 0 244.136 1.983 10 0 BDAERO C[NH+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000133940126 372136612 /nfs/dbraw/zinc/13/66/12/372136612.db2.gz LRHHHRFWXQPNBB-UHFFFAOYSA-N 1 0 248.735 1.049 10 0 BDAERO [NH3+]C1CCN(C2(C(F)(F)F)CC2)CC1 ZINC000229676455 372181093 /nfs/dbraw/zinc/18/10/93/372181093.db2.gz IYCIKNRKUZZYFS-UHFFFAOYSA-N 1 0 208.227 1.504 10 0 BDAERO C[C@@H]1OC[C@]2([NH2+]C(C)(C)CS2)[C@H]1C ZINC000405563852 372171285 /nfs/dbraw/zinc/17/12/85/372171285.db2.gz ZLCUYUYSCACSEI-OYNCUSHFSA-N 1 0 201.335 1.853 10 0 BDAERO C[C@@H]1OC[C@@]2([NH2+]C(C)(C)CS2)[C@H]1C ZINC000405563850 372171344 /nfs/dbraw/zinc/17/13/44/372171344.db2.gz ZLCUYUYSCACSEI-NRPADANISA-N 1 0 201.335 1.853 10 0 BDAERO CC[C@@H]1CS[C@@](C)([C@@H]2CCOC2)[NH2+]1 ZINC000229666121 372179257 /nfs/dbraw/zinc/17/92/57/372179257.db2.gz ZONKTQPGLNTUGU-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C/C(Cl)=C/Cl ZINC000307593699 372130008 /nfs/dbraw/zinc/13/00/08/372130008.db2.gz HRLFBMYRHFBYOT-GLVSWVFDSA-N 1 0 209.120 1.727 10 0 BDAERO O[C@H](C[C@@H]1CCCC[NH2+]C1)C(F)(F)F ZINC000134218100 372182880 /nfs/dbraw/zinc/18/28/80/372182880.db2.gz GVLFOVKRIJONCO-JGVFFNPUSA-N 1 0 211.227 1.689 10 0 BDAERO CON[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000134231446 372184004 /nfs/dbraw/zinc/18/40/04/372184004.db2.gz PTVVNAXMZVPBBC-CYBMUJFWSA-N 1 0 220.316 1.802 10 0 BDAERO COC[C@H](C)NC1=[NH+][C@H](C)[C@@H](C)CS1 ZINC000229744492 372189302 /nfs/dbraw/zinc/18/93/02/372189302.db2.gz UZYYWTNUMXZDLG-XHNCKOQMSA-N 1 0 216.350 1.738 10 0 BDAERO CN1CCC[C@@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000134291985 372192694 /nfs/dbraw/zinc/19/26/94/372192694.db2.gz QFSYORYIVHJZSG-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO O=C(CCN1CC[NH2+]CC1)c1cccs1 ZINC000041244788 181917006 /nfs/dbraw/zinc/91/70/06/181917006.db2.gz VBORHXFXOADOLK-UHFFFAOYSA-N 1 0 224.329 1.226 10 0 BDAERO [NH3+]Cc1ccc(NC(=O)C(F)(F)F)c(F)c1 ZINC000038264811 372528669 /nfs/dbraw/zinc/52/86/69/372528669.db2.gz DIRPYPGVMZIHAM-UHFFFAOYSA-N 1 0 236.168 1.785 10 0 BDAERO FC(F)(F)c1cncc(N2CC[NH2+]CC2)c1 ZINC000140362962 372584430 /nfs/dbraw/zinc/58/44/30/372584430.db2.gz BUNFVKBXJPYHIW-UHFFFAOYSA-N 1 0 231.221 1.510 10 0 BDAERO Cc1nocc1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836800 372625922 /nfs/dbraw/zinc/62/59/22/372625922.db2.gz HBRXHNLQVOBOFE-WPRPVWTQSA-N 1 0 209.293 1.010 10 0 BDAERO Cc1nc(CN2C[C@H](C)[C@@H](C[NH3+])C2)oc1C ZINC000631840017 372636295 /nfs/dbraw/zinc/63/62/95/372636295.db2.gz OHFOFPPZTQAWFJ-KWQFWETISA-N 1 0 223.320 1.318 10 0 BDAERO C[C@H]1CN(Cc2nnsc2Cl)C[C@H]1C[NH3+] ZINC000631841461 372637919 /nfs/dbraw/zinc/63/79/19/372637919.db2.gz KUQYEEFSOZOZHN-NKWVEPMBSA-N 1 0 246.767 1.218 10 0 BDAERO CC(C)n1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631841161 372638274 /nfs/dbraw/zinc/63/82/74/372638274.db2.gz YYBGFOJQDGTUAY-NWDGAFQWSA-N 1 0 236.363 1.491 10 0 BDAERO O=C(C[NH2+]C1CCCC1)NCC[C@@H]1CCCO1 ZINC000038096953 181976226 /nfs/dbraw/zinc/97/62/26/181976226.db2.gz RBKLTUWPSVEMHX-LBPRGKRZSA-N 1 0 240.347 1.204 10 0 BDAERO CCn1c2ccccc2cc(C[NH2+]CCO)c1=O ZINC000039287564 372930223 /nfs/dbraw/zinc/93/02/23/372930223.db2.gz RSEHUZFCUNFNIU-UHFFFAOYSA-N 1 0 246.310 1.103 10 0 BDAERO CCC(C)(C)N(C)[C@@H]1COCC[C@@H]1[NH3+] ZINC000068997325 373104420 /nfs/dbraw/zinc/10/44/20/373104420.db2.gz JOQWDPJVWMAHFN-VHSXEESVSA-N 1 0 200.326 1.223 10 0 BDAERO COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000178531560 205638901 /nfs/dbraw/zinc/63/89/01/205638901.db2.gz IIEGUMNNRTVSNN-YNEHKIRRSA-N 1 0 229.364 1.942 10 0 BDAERO Cc1csc(N[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000040673543 373592338 /nfs/dbraw/zinc/59/23/38/373592338.db2.gz IZWLWWHBXTVABG-SECBINFHSA-N 1 0 211.334 1.958 10 0 BDAERO C[C@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1[NH3+] ZINC000069718911 373647031 /nfs/dbraw/zinc/64/70/31/373647031.db2.gz PNZYAKYYQMDAJK-JQWIXIFHSA-N 1 0 224.348 1.762 10 0 BDAERO [NH3+]Cc1ccc([N+](=O)[O-])nc1OC(F)(F)F ZINC000380965667 373688172 /nfs/dbraw/zinc/68/81/72/373688172.db2.gz CNWXLDBAOTYAFP-UHFFFAOYSA-N 1 0 237.137 1.347 10 0 BDAERO C[C@H](NC(=O)C(C)(C)[NH3+])c1cc(F)ccc1F ZINC000040921310 373926742 /nfs/dbraw/zinc/92/67/42/373926742.db2.gz ICEOQPUGVBGESU-ZETCQYMHSA-N 1 0 242.269 1.879 10 0 BDAERO CC(C)[NH2+][C@@]1(CN)CCOC(C)(C)C1 ZINC000069892509 373970271 /nfs/dbraw/zinc/97/02/71/373970271.db2.gz AECYPMKJCMHDMX-NSHDSACASA-N 1 0 200.326 1.271 10 0 BDAERO [NH3+][C@H]1CCCCC[C@H]1N1CCSCC1 ZINC000040989037 373977270 /nfs/dbraw/zinc/97/72/70/373977270.db2.gz HEGNTSHAFWCHGC-WDEREUQCSA-N 1 0 214.378 1.695 10 0 BDAERO C[C@H]([NH3+])Cc1noc([C@@H]2CCCS2)n1 ZINC000070005046 374109292 /nfs/dbraw/zinc/10/92/92/374109292.db2.gz KQPHNBPMGKYDPF-BQBZGAKWSA-N 1 0 213.306 1.527 10 0 BDAERO C[C@@H](O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000041252135 374124482 /nfs/dbraw/zinc/12/44/82/374124482.db2.gz RTRKBXOMILNDHA-HZGVNTEJSA-N 1 0 230.105 1.830 10 0 BDAERO O=C(NC[C@H]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000045630989 182235342 /nfs/dbraw/zinc/23/53/42/182235342.db2.gz PHRNRWCQSSDQED-NWDGAFQWSA-N 1 0 222.332 1.601 10 0 BDAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1C[C@H]1C ZINC000246122242 374169769 /nfs/dbraw/zinc/16/97/69/374169769.db2.gz NQNACQIPGHKNAQ-UTUOFQBUSA-N 1 0 239.363 1.568 10 0 BDAERO C[C@@H](C[NH3+])c1nc(C(F)F)cc(=O)[nH]1 ZINC000070949251 374233347 /nfs/dbraw/zinc/23/33/47/374233347.db2.gz BBEFIQWOOPCIQQ-BYPYZUCNSA-N 1 0 203.192 1.182 10 0 BDAERO C[NH2+][C@@H](C)c1csc([C@H]2CCOC2)n1 ZINC000070842142 374204569 /nfs/dbraw/zinc/20/45/69/374204569.db2.gz TVIRBLBCKHZMBE-YUMQZZPRSA-N 1 0 212.318 1.927 10 0 BDAERO C[C@H]1C[NH+]=C(NCc2nccn2C)S1 ZINC000070853990 374206036 /nfs/dbraw/zinc/20/60/36/374206036.db2.gz SVSHECNODVMXTJ-ZETCQYMHSA-N 1 0 210.306 1.001 10 0 BDAERO Cn1cc(S[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000042406453 374267505 /nfs/dbraw/zinc/26/75/05/374267505.db2.gz UDLSEEKBGWYFBV-PSASIEDQSA-N 1 0 211.334 1.640 10 0 BDAERO O=C(NCc1nc2ccccc2s1)C1C[NH2+]C1 ZINC000091407385 182271689 /nfs/dbraw/zinc/27/16/89/182271689.db2.gz FGUCLJKLZDJTDZ-UHFFFAOYSA-N 1 0 247.323 1.132 10 0 BDAERO O=C(N[C@@H]1CCSc2ccccc21)C1C[NH2+]C1 ZINC000091395815 182308571 /nfs/dbraw/zinc/30/85/71/182308571.db2.gz ZEXCBOPDPCKEFV-LLVKDONJSA-N 1 0 248.351 1.559 10 0 BDAERO O=C(Nc1c(F)cccc1F)[C@@H]1CCC[NH2+]C1 ZINC000020269867 182346516 /nfs/dbraw/zinc/34/65/16/182346516.db2.gz ZIQJVKYLBLLPKW-MRVPVSSYSA-N 1 0 240.253 1.903 10 0 BDAERO O=C(Nc1cc(F)ccc1F)C1CC[NH2+]CC1 ZINC000019412353 182349986 /nfs/dbraw/zinc/34/99/86/182349986.db2.gz JJJHQMSWJODDDK-UHFFFAOYSA-N 1 0 240.253 1.903 10 0 BDAERO CCCC[NH2+]C[C@@H](C)N(C)Cc1cnn(C)c1 ZINC000053497427 168868120 /nfs/dbraw/zinc/86/81/20/168868120.db2.gz XJPXBZFDZMJBJD-GFCCVEGCSA-N 1 0 238.379 1.630 10 0 BDAERO CCNC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000084499604 170064892 /nfs/dbraw/zinc/06/48/92/170064892.db2.gz AKHPMILGLZTLPF-NSHDSACASA-N 1 0 220.316 1.782 10 0 BDAERO O=C(Nc1cnoc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104200177 182396710 /nfs/dbraw/zinc/39/67/10/182396710.db2.gz LTEQERKVNNIVAJ-QMMMGPOBSA-N 1 0 249.192 1.155 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1nccs1 ZINC000061278443 170107895 /nfs/dbraw/zinc/10/78/95/170107895.db2.gz STMHFOOFFHZPIY-UHFFFAOYSA-N 1 0 213.306 1.470 10 0 BDAERO O=C(c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000036158742 182660468 /nfs/dbraw/zinc/66/04/68/182660468.db2.gz MAWXECUBJCDNHD-SNVBAGLBSA-N 1 0 211.211 1.900 10 0 BDAERO O=C(c1ccco1)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051358707 182684897 /nfs/dbraw/zinc/68/48/97/182684897.db2.gz CNYFFFWNELXCMR-QWRGUYRKSA-N 1 0 234.299 1.636 10 0 BDAERO O=C1CCC2(CC[NH2+]CC2)CCN1CC1CC1 ZINC000169676372 182725697 /nfs/dbraw/zinc/72/56/97/182725697.db2.gz ZDJKBKHUTGCOCW-UHFFFAOYSA-N 1 0 236.359 1.779 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000308877020 182802715 /nfs/dbraw/zinc/80/27/15/182802715.db2.gz NVHAWFOPMYAUFP-SNVBAGLBSA-N 1 0 208.305 1.187 10 0 BDAERO O=[S@@](c1nc2ccccc2o1)[C@H]1CC[NH2+]C1 ZINC000095073022 182964190 /nfs/dbraw/zinc/96/41/90/182964190.db2.gz FJMPFDCZZVHSMU-PWJLMRLQSA-N 1 0 236.296 1.297 10 0 BDAERO O=[S@](Cc1cncs1)C[C@H]1CCC[NH2+]1 ZINC000095073582 182966959 /nfs/dbraw/zinc/96/69/59/182966959.db2.gz MPAZOMOQANUQSN-XLKFXECMSA-N 1 0 230.358 1.144 10 0 BDAERO O=[S@](Cc1ccccn1)C[C@@H]1CCCC[NH2+]1 ZINC000095073508 182966969 /nfs/dbraw/zinc/96/69/69/182966969.db2.gz BZLHGSNOSSSFKB-LRDDRELGSA-N 1 0 238.356 1.472 10 0 BDAERO O=[S@](Cc1ccncc1)C[C@H]1CCC[NH2+]1 ZINC000095073578 182967649 /nfs/dbraw/zinc/96/76/49/182967649.db2.gz DXVNHLGEDGPZEB-ABAIWWIYSA-N 1 0 224.329 1.082 10 0 BDAERO OC1(CC[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)CC1 ZINC000335155932 183015078 /nfs/dbraw/zinc/01/50/78/183015078.db2.gz FGQAZDFAPRBHPR-VXGBXAGGSA-N 1 0 237.343 1.402 10 0 BDAERO OC1(Cc2ccc(F)cc2F)CC[NH2+]CC1 ZINC000055189692 183022155 /nfs/dbraw/zinc/02/21/55/183022155.db2.gz FCRBHFYSQRBTGI-UHFFFAOYSA-N 1 0 227.254 1.622 10 0 BDAERO OC1(c2ccc3c(c2)OCCO3)CC[NH2+]CC1 ZINC000034439354 183022787 /nfs/dbraw/zinc/02/27/87/183022787.db2.gz PQFLPJWKVGZYRB-UHFFFAOYSA-N 1 0 235.283 1.029 10 0 BDAERO OCCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105920079 183048280 /nfs/dbraw/zinc/04/82/80/183048280.db2.gz YYNCETWHNKCFQC-UHFFFAOYSA-N 1 0 237.347 1.368 10 0 BDAERO OCC1(C[NH2+][C@H]2CCC[C@@H]2CCF)COC1 ZINC000336698751 183036657 /nfs/dbraw/zinc/03/66/57/183036657.db2.gz MXBSBHHJCFTPKD-MNOVXSKESA-N 1 0 231.311 1.113 10 0 BDAERO OCC1([NH2+]CC2(O)CCCCC2)CCCC1 ZINC000053069409 183036847 /nfs/dbraw/zinc/03/68/47/183036847.db2.gz CGMDPWWUWUYHAI-UHFFFAOYSA-N 1 0 227.348 1.576 10 0 BDAERO OCC1([NH2+][C@H]2CCCC[C@H]2O)CCCCC1 ZINC000053096892 183039128 /nfs/dbraw/zinc/03/91/28/183039128.db2.gz JWVVKGPXJHHOGU-NWDGAFQWSA-N 1 0 227.348 1.575 10 0 BDAERO OCC[N@H+](C[C@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000053923354 183068417 /nfs/dbraw/zinc/06/84/17/183068417.db2.gz JNAAHHAIGYIZQP-OCCSQVGLSA-N 1 0 241.375 1.774 10 0 BDAERO OCCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273144648 183060588 /nfs/dbraw/zinc/06/05/88/183060588.db2.gz VJEWXZSNIUPANR-LLVKDONJSA-N 1 0 229.707 1.345 10 0 BDAERO OCC[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000100282988 183097208 /nfs/dbraw/zinc/09/72/08/183097208.db2.gz VMVQZNDTDYGTMP-CABCVRRESA-N 1 0 249.354 1.642 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cscn1 ZINC000164267046 183148674 /nfs/dbraw/zinc/14/86/74/183148674.db2.gz OSNQVQIISQTKNX-KOLCDFICSA-N 1 0 226.345 1.784 10 0 BDAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000085576493 183149552 /nfs/dbraw/zinc/14/95/52/183149552.db2.gz RGADUQARIRPOHW-QWHCGFSZSA-N 1 0 217.312 1.783 10 0 BDAERO OC[C@]1(Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000085042196 183157616 /nfs/dbraw/zinc/15/76/16/183157616.db2.gz RBMGBWISOFISNU-LBPRGKRZSA-N 1 0 209.264 1.340 10 0 BDAERO OC[C@]1([NH2+]C2CCCC2)CCCSC1 ZINC000061590904 183158648 /nfs/dbraw/zinc/15/86/48/183158648.db2.gz BVCGEUNFXZAUDV-LLVKDONJSA-N 1 0 215.362 1.777 10 0 BDAERO OC[C@]1([NH2+]Cc2ccccc2)CCSC1 ZINC000038110753 183158689 /nfs/dbraw/zinc/15/86/89/183158689.db2.gz ATBDFRLJGIHJKB-GFCCVEGCSA-N 1 0 223.341 1.644 10 0 BDAERO CCCN(C(=O)NC(C)C)[C@H]1CCC[NH2+]C1 ZINC000037470279 169044241 /nfs/dbraw/zinc/04/42/41/169044241.db2.gz JYXMQTLCTHDBAH-NSHDSACASA-N 1 0 227.352 1.568 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)c1cc(F)c(F)c(F)c1 ZINC000062721138 183177658 /nfs/dbraw/zinc/17/76/58/183177658.db2.gz VKYKZFFSHWLMJM-JTQLQIEISA-N 1 0 231.217 1.889 10 0 BDAERO O[C@@H](C[NH2+]C[C@@H]1CCOC1)c1cccc(F)c1 ZINC000038094596 183179098 /nfs/dbraw/zinc/17/90/98/183179098.db2.gz ROSXCECWCHIJIK-GWCFXTLKSA-N 1 0 239.290 1.485 10 0 BDAERO CCCN(C(=O)c1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000104336169 169047807 /nfs/dbraw/zinc/04/78/07/169047807.db2.gz SDITXHFIFBMHOS-GFCCVEGCSA-N 1 0 247.342 1.686 10 0 BDAERO O[C@@H](c1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]1 ZINC000036159550 183184429 /nfs/dbraw/zinc/18/44/29/183184429.db2.gz MDSDHGXQZKSJTA-KBPBESRZSA-N 1 0 217.312 1.961 10 0 BDAERO OCc1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000051890696 183166255 /nfs/dbraw/zinc/16/62/55/183166255.db2.gz XTZARTTZFNLUMD-LLVKDONJSA-N 1 0 207.273 1.167 10 0 BDAERO O[C@@H]1C[NH2+]C[C@@H]1N1CCC2(CCCCC2)CC1 ZINC000104252406 183208359 /nfs/dbraw/zinc/20/83/59/183208359.db2.gz SLUGHIBCDOEJAZ-QWHCGFSZSA-N 1 0 238.375 1.365 10 0 BDAERO O[C@@H]1CCN(Cc2ccccc2)C[C@@]12CC[NH2+]C2 ZINC000096964515 183201254 /nfs/dbraw/zinc/20/12/54/183201254.db2.gz ROOKFJAPDXSMNG-CABCVRRESA-N 1 0 246.354 1.233 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]1 ZINC000033465359 183186152 /nfs/dbraw/zinc/18/61/52/183186152.db2.gz XBMLDFPPZMYVLY-MFKMUULPSA-N 1 0 235.283 1.243 10 0 BDAERO O[C@@H]1CCCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000037893142 183186556 /nfs/dbraw/zinc/18/65/56/183186556.db2.gz BVOFKSDXMBBSEQ-NWDGAFQWSA-N 1 0 213.321 1.449 10 0 BDAERO O[C@@H]1CCCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000042541194 183187590 /nfs/dbraw/zinc/18/75/90/183187590.db2.gz JKIYNILVZABBPJ-VXGBXAGGSA-N 1 0 223.320 1.166 10 0 BDAERO O[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000227475833 183191523 /nfs/dbraw/zinc/19/15/23/183191523.db2.gz SKNHKZRADAGNQL-QWHCGFSZSA-N 1 0 217.312 1.783 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000336886571 183191739 /nfs/dbraw/zinc/19/17/39/183191739.db2.gz GQQJUYROZKQDRS-MGPQQGTHSA-N 1 0 247.338 1.883 10 0 BDAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cc[nH]n1)CC2 ZINC000305741694 183217497 /nfs/dbraw/zinc/21/74/97/183217497.db2.gz GFWLFAJSBJBMOV-WCQYABFASA-N 1 0 235.331 1.537 10 0 BDAERO O[C@@]12CCCC[C@H]1C[N@H+](CCc1cn[nH]c1)CC2 ZINC000310989084 183218218 /nfs/dbraw/zinc/21/82/18/183218218.db2.gz VFBGJFNUTOHMHV-UONOGXRCSA-N 1 0 249.358 1.579 10 0 BDAERO O[C@H](CCN1CCC[NH2+]CC1)c1ccccc1 ZINC000076729256 183219095 /nfs/dbraw/zinc/21/90/95/183219095.db2.gz PQCLRPNTRVLJMX-CQSZACIVSA-N 1 0 234.343 1.405 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000037883808 183231979 /nfs/dbraw/zinc/23/19/79/183231979.db2.gz KIYLSNMNXJTGDP-STQMWFEESA-N 1 0 220.316 1.865 10 0 BDAERO O[C@H](C[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000019784904 183220540 /nfs/dbraw/zinc/22/05/40/183220540.db2.gz IBXXADUHACTRDU-GFCCVEGCSA-N 1 0 249.310 1.587 10 0 BDAERO O[C@H](C[NH2+]C1CC1)COc1cc(F)cc(F)c1 ZINC000054932976 183222745 /nfs/dbraw/zinc/22/27/45/183222745.db2.gz YNVAZBTVSUUPRZ-LLVKDONJSA-N 1 0 243.253 1.457 10 0 BDAERO O[C@H](C[NH2+]C1CC1)c1ccc2c(c1)OCO2 ZINC000032013825 183223027 /nfs/dbraw/zinc/22/30/27/183223027.db2.gz RAMQDKFQLRQRCC-SNVBAGLBSA-N 1 0 221.256 1.201 10 0 BDAERO O[C@H](C[NH2+]C[C@@H]1CCCOC1)c1cccs1 ZINC000038045490 183224387 /nfs/dbraw/zinc/22/43/87/183224387.db2.gz WULVUKNIVXHEQR-WDEREUQCSA-N 1 0 241.356 1.798 10 0 BDAERO O[C@H](COCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000026253172 183226362 /nfs/dbraw/zinc/22/63/62/183226362.db2.gz DCJOWWMUIMVZHV-UONOGXRCSA-N 1 0 235.327 1.706 10 0 BDAERO O[C@H](c1c[nH]c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000041229087 183228309 /nfs/dbraw/zinc/22/83/09/183228309.db2.gz CJSJWPZJKSOIBF-CHWSQXEVSA-N 1 0 216.284 1.953 10 0 BDAERO CCC[N@H+](CC(=O)N(C)C)Cc1ccccc1N ZINC000035064693 169093860 /nfs/dbraw/zinc/09/38/60/169093860.db2.gz YGDWXVIZLZMFFV-UHFFFAOYSA-N 1 0 249.358 1.569 10 0 BDAERO O[C@@H]1Cc2ccccc2[C@H]1CC1=[NH+]CCN1 ZINC000029567624 183213270 /nfs/dbraw/zinc/21/32/70/183213270.db2.gz QGSUYJRWNVAJNC-VXGBXAGGSA-N 1 0 216.284 1.079 10 0 BDAERO CCC[N@H+](CC(=O)OC)[C@@H]1CCCC[C@@H]1O ZINC000050065686 169101179 /nfs/dbraw/zinc/10/11/79/169101179.db2.gz RWAKFUPSPRCSCM-MNOVXSKESA-N 1 0 229.320 1.175 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000089162972 183237859 /nfs/dbraw/zinc/23/78/59/183237859.db2.gz ZOPZIHAAHOJYPR-FZMZJTMJSA-N 1 0 245.326 1.585 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000004262558 183238013 /nfs/dbraw/zinc/23/80/13/183238013.db2.gz XEFKGMPALYXZAW-STQMWFEESA-N 1 0 205.301 1.937 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]CC1=CCCOC1 ZINC000124786477 183238323 /nfs/dbraw/zinc/23/83/23/183238323.db2.gz KJIOXBPMGTWXQP-RYUDHWBXSA-N 1 0 211.305 1.084 10 0 BDAERO O[C@H]1CC[NH2+][C@H]1c1cccc(Br)c1 ZINC000096987607 183241096 /nfs/dbraw/zinc/24/10/96/183241096.db2.gz LIGGHZBXLFEUBA-UWVGGRQHSA-N 1 0 242.116 1.844 10 0 BDAERO O[C@]1(c2cccc3cnccc32)CCC[NH2+]C1 ZINC000104108247 183251765 /nfs/dbraw/zinc/25/17/65/183251765.db2.gz WKVCFZHYGMRHLU-CQSZACIVSA-N 1 0 228.295 1.806 10 0 BDAERO O[C@]1(Cc2ccccc2Cl)CCC[NH2+]C1 ZINC000071532578 183252056 /nfs/dbraw/zinc/25/20/56/183252056.db2.gz YGJMHOBJLUZWDX-LBPRGKRZSA-N 1 0 225.719 1.997 10 0 BDAERO O[C@H]1CCCC[C@H]1[N@@H+]1CCC2(C1)CCOCC2 ZINC000309983226 183232582 /nfs/dbraw/zinc/23/25/82/183232582.db2.gz KPARGKIBTJCJMP-OLZOCXBDSA-N 1 0 239.359 1.792 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000037164878 183235575 /nfs/dbraw/zinc/23/55/75/183235575.db2.gz ZAMFTYUUEJJCKW-NEPJUHHUSA-N 1 0 206.289 1.475 10 0 BDAERO Oc1ccc(-c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000082813785 183264773 /nfs/dbraw/zinc/26/47/73/183264773.db2.gz MZNUSKXRRVTVJS-UHFFFAOYSA-N 1 0 215.256 1.428 10 0 BDAERO CCC[NH+](CCC)[C@]1(CN)CCSC1 ZINC000019504868 169151981 /nfs/dbraw/zinc/15/19/81/169151981.db2.gz VOEDVBHBBPTOTM-NSHDSACASA-N 1 0 216.394 1.943 10 0 BDAERO Oc1ccc2[nH]c([C@H]3CCC[NH2+]C3)nc2c1 ZINC000076006041 183278817 /nfs/dbraw/zinc/27/88/17/183278817.db2.gz SWNWQDKFZIDPMH-QMMMGPOBSA-N 1 0 217.272 1.736 10 0 BDAERO O=c1ccnc(SC[C@@H]2CCCC[NH2+]2)[nH]1 ZINC000043495316 183305842 /nfs/dbraw/zinc/30/58/42/183305842.db2.gz YLIZBGDCPQDBCV-QMMMGPOBSA-N 1 0 225.317 1.416 10 0 BDAERO Oc1ccc2[nH]c([C@H]3CCC[NH2+]3)nc2c1 ZINC000040543291 183286243 /nfs/dbraw/zinc/28/62/43/183286243.db2.gz ODWPSUOQZBDRLI-SECBINFHSA-N 1 0 203.245 1.693 10 0 BDAERO CCC[N@@H+](Cc1cccc(N)c1)C[C@@H](C)C(N)=O ZINC000035064633 169176665 /nfs/dbraw/zinc/17/66/65/169176665.db2.gz CZRJAKOSZKXQIF-LLVKDONJSA-N 1 0 249.358 1.602 10 0 BDAERO Oc1cccc(-c2noc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000096875138 183287337 /nfs/dbraw/zinc/28/73/37/183287337.db2.gz AAPCVBDEMRYKJR-JTQLQIEISA-N 1 0 231.255 1.867 10 0 BDAERO Oc1cccc(C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000019947908 183291936 /nfs/dbraw/zinc/29/19/36/183291936.db2.gz XLEITCZQGSYQAY-AWEZNQCLSA-N 1 0 232.327 1.576 10 0 BDAERO CCCN(CC[NH3+])C(=O)c1cc(C)ccc1O ZINC000041160595 169158546 /nfs/dbraw/zinc/15/85/46/169158546.db2.gz JLUPXBNUPIYHEC-UHFFFAOYSA-N 1 0 236.315 1.512 10 0 BDAERO Oc1cccc2c1CC[C@@]1(CC[NH2+]C1)O2 ZINC000036142077 183294981 /nfs/dbraw/zinc/29/49/81/183294981.db2.gz OXYBEYBNGDBIIK-LBPRGKRZSA-N 1 0 205.257 1.449 10 0 BDAERO Oc1cccc2c1CC[C@H]2[NH2+]CCn1cccn1 ZINC000042539449 183295073 /nfs/dbraw/zinc/29/50/73/183295073.db2.gz FREJGQNYFNRUJN-CYBMUJFWSA-N 1 0 243.310 1.866 10 0 BDAERO CCCN(Cc1ccccn1)C(=O)CC[NH3+] ZINC000032013988 169179910 /nfs/dbraw/zinc/17/99/10/169179910.db2.gz UYVDUERHMAPIEK-UHFFFAOYSA-N 1 0 221.304 1.169 10 0 BDAERO c1c(C[NH2+][C@@H]2CCOC2)nc2n1CCCC2 ZINC000268081907 183322263 /nfs/dbraw/zinc/32/22/63/183322263.db2.gz GPXZYVALQBVSOU-SNVBAGLBSA-N 1 0 221.304 1.098 10 0 BDAERO c1cc(-c2n[nH]c3c2C[NH2+]CC3)ccn1 ZINC000077296810 183329227 /nfs/dbraw/zinc/32/92/27/183329227.db2.gz RSBUAFGRCFCONO-UHFFFAOYSA-N 1 0 200.245 1.117 10 0 BDAERO CCCNC(=O)COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798835 169231578 /nfs/dbraw/zinc/23/15/78/169231578.db2.gz FZKMOVQFLNDSIQ-GFCCVEGCSA-N 1 0 248.326 1.538 10 0 BDAERO CCCNC(=O)COc1cccc([C@@H](C)[NH3+])c1 ZINC000019397734 169232038 /nfs/dbraw/zinc/23/20/38/169232038.db2.gz IEHUYXUOBKRMMI-SNVBAGLBSA-N 1 0 236.315 1.611 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1ccccc1 ZINC000057501849 169232839 /nfs/dbraw/zinc/23/28/39/169232839.db2.gz FTHIKKRWHVKKQP-GFCCVEGCSA-N 1 0 220.316 1.645 10 0 BDAERO c1cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)ccn1 ZINC000308846765 183352779 /nfs/dbraw/zinc/35/27/79/183352779.db2.gz MMOTZVPQUAXQMP-CNDDSTCGSA-N 1 0 204.273 1.064 10 0 BDAERO c1cc(OCC[C@@H]2CCCC[NH2+]2)ncn1 ZINC000051871463 183358621 /nfs/dbraw/zinc/35/86/21/183358621.db2.gz RJLMPVULHUTZEW-JTQLQIEISA-N 1 0 207.277 1.388 10 0 BDAERO c1cc(OCC[C@H]2CCC[NH2+]C2)ncn1 ZINC000051918487 183358640 /nfs/dbraw/zinc/35/86/40/183358640.db2.gz WJSDCVWTSQDLFQ-SNVBAGLBSA-N 1 0 207.277 1.245 10 0 BDAERO CCCNC(=O)CN(C)Cc1ccc(C[NH3+])cc1 ZINC000037757944 169220019 /nfs/dbraw/zinc/22/00/19/169220019.db2.gz INJSOYJPERKXGA-UHFFFAOYSA-N 1 0 249.358 1.103 10 0 BDAERO CCC[NH2+]CC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000044647040 169255262 /nfs/dbraw/zinc/25/52/62/169255262.db2.gz OVJHROGQIAGCMF-QWRGUYRKSA-N 1 0 212.337 1.681 10 0 BDAERO CCC[NH2+]C1CCC(n2cnnc2)CC1 ZINC000055170226 169256272 /nfs/dbraw/zinc/25/62/72/169256272.db2.gz MJURVSDCVWASSK-UHFFFAOYSA-N 1 0 208.309 1.761 10 0 BDAERO c1cc(C[NH2+]C[C@@H]2CCCO2)cc2c1COC2 ZINC000104204713 183368460 /nfs/dbraw/zinc/36/84/60/183368460.db2.gz DMXFIWWPHATGNO-AWEZNQCLSA-N 1 0 233.311 1.985 10 0 BDAERO c1cc(NC2=[NH+]CCN2)cc2c1CCC2 ZINC000029132909 183369734 /nfs/dbraw/zinc/36/97/34/183369734.db2.gz CZSCICXNCPPBLX-UHFFFAOYSA-N 1 0 201.273 1.546 10 0 BDAERO CCC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000019913504 169261193 /nfs/dbraw/zinc/26/11/93/169261193.db2.gz VNECEFVWDZWLRM-UHFFFAOYSA-N 1 0 221.300 2.000 10 0 BDAERO c1cc(OC[C@@H]2C[NH2+]CCO2)cc2c1CCC2 ZINC000011587423 183370555 /nfs/dbraw/zinc/37/05/55/183370555.db2.gz IEJJSYQSEBZGFL-AWEZNQCLSA-N 1 0 233.311 1.543 10 0 BDAERO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CCCO ZINC000052762999 169241565 /nfs/dbraw/zinc/24/15/65/169241565.db2.gz UZYFNYMKXUDTIU-VXGBXAGGSA-N 1 0 242.363 1.138 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1cccnc1 ZINC000076610642 169243672 /nfs/dbraw/zinc/24/36/72/169243672.db2.gz PFFVXEMPDKBCKL-NSHDSACASA-N 1 0 221.304 1.040 10 0 BDAERO CCCNC(=O)[C@H](C)N(CC[NH3+])C1CCCC1 ZINC000070975591 169244864 /nfs/dbraw/zinc/24/48/64/169244864.db2.gz HOTAJSCACVRULU-NSHDSACASA-N 1 0 241.379 1.104 10 0 BDAERO c1cn(-c2ccccc2NC2CC[NH2+]CC2)nn1 ZINC000038040923 183386664 /nfs/dbraw/zinc/38/66/64/183386664.db2.gz ZJUIWYNSUVCSCD-UHFFFAOYSA-N 1 0 243.314 1.431 10 0 BDAERO CCCN[C@H](CC[N@H+](C)CC(C)C)C(=O)OC ZINC000062444789 169288781 /nfs/dbraw/zinc/28/87/81/169288781.db2.gz AFVUWOQFOUSKJX-GFCCVEGCSA-N 1 0 244.379 1.506 10 0 BDAERO CCC[NH2+][C@H](COCC1CCCCC1)C(N)=O ZINC000052157186 169289133 /nfs/dbraw/zinc/28/91/33/169289133.db2.gz UWFFBHXDXOQUBR-GFCCVEGCSA-N 1 0 242.363 1.437 10 0 BDAERO c1ccc(C2=N[C@@H]3CC[NH2+]C[C@@H]3S2)cc1 ZINC000064871440 183389477 /nfs/dbraw/zinc/38/94/77/183389477.db2.gz HNCGWLODEDWPHW-MNOVXSKESA-N 1 0 218.325 1.911 10 0 BDAERO CCC[NH2+]C[C@@]1(C[C@H]2CCCO2)CCOC1 ZINC000054664749 169263568 /nfs/dbraw/zinc/26/35/68/169263568.db2.gz VPGJKFOWKPTNIA-OLZOCXBDSA-N 1 0 227.348 1.962 10 0 BDAERO CCC[NH2+]Cc1ccccc1N(C)CC(N)=O ZINC000037268925 169267856 /nfs/dbraw/zinc/26/78/56/169267856.db2.gz WXDTWKYKKAFXQM-UHFFFAOYSA-N 1 0 235.331 1.108 10 0 BDAERO CCC[NH2+]Cc1sc(COC)nc1COC ZINC000082446614 169269647 /nfs/dbraw/zinc/26/96/47/169269647.db2.gz PQNPQPYQELMHSB-UHFFFAOYSA-N 1 0 244.360 1.936 10 0 BDAERO c1ccc(CN2CCN3CCC[NH2+]C[C@@H]3C2)cc1 ZINC000096895529 183399223 /nfs/dbraw/zinc/39/92/23/183399223.db2.gz QGKLHAVWMDZCGU-OAHLLOKOSA-N 1 0 245.370 1.166 10 0 BDAERO CCC[NH2+][C@@H](C)Cn1c(C)nc(C)cc1=O ZINC000082598763 169275751 /nfs/dbraw/zinc/27/57/51/169275751.db2.gz WLEAADYENMWLCT-JTQLQIEISA-N 1 0 223.320 1.248 10 0 BDAERO CCC[NH2+][C@@H](CC[N@H+](CCC)C1CC1)C(=O)[O-] ZINC000062447346 169277934 /nfs/dbraw/zinc/27/79/34/169277934.db2.gz NJCHPHCHCNCFCP-LBPRGKRZSA-N 1 0 242.363 1.704 10 0 BDAERO c1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000306690355 183404369 /nfs/dbraw/zinc/40/43/69/183404369.db2.gz MDWYEEMRBJBIDW-XYYAHUGASA-N 1 0 203.285 1.669 10 0 BDAERO CCC[NH2+][C@@H](c1cccnc1)c1cnccn1 ZINC000037762106 169280949 /nfs/dbraw/zinc/28/09/49/169280949.db2.gz MXAHOMFBDIIMFE-ZDUSSCGKSA-N 1 0 228.299 1.961 10 0 BDAERO CCC[NH2+][C@@H]1CCN(Cc2cccc(C)n2)C1 ZINC000051576599 169282006 /nfs/dbraw/zinc/28/20/06/169282006.db2.gz FYUMSNIKHPZXMA-CYBMUJFWSA-N 1 0 233.359 1.964 10 0 BDAERO CCC[NH2+][C@@H]1CCN(c2cccnc2)C1=O ZINC000049647141 169282931 /nfs/dbraw/zinc/28/29/31/169282931.db2.gz GXEJKVHHVFSWGQ-LLVKDONJSA-N 1 0 219.288 1.187 10 0 BDAERO CCCOCCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000070073450 169308706 /nfs/dbraw/zinc/30/87/06/169308706.db2.gz ZPYRCPIBEBNAID-LBPRGKRZSA-N 1 0 242.363 1.533 10 0 BDAERO CCCOCCOC[C@@H]1CC[C@@H](C[NH2+]CC)O1 ZINC000104239421 169309523 /nfs/dbraw/zinc/30/95/23/169309523.db2.gz OHWYFPZEBJYAEP-STQMWFEESA-N 1 0 245.363 1.587 10 0 BDAERO CCCOCCO[C@H]1CCCC[C@H]1[NH3+] ZINC000082528490 169310325 /nfs/dbraw/zinc/31/03/25/169310325.db2.gz ZPQMOXQWCGYACI-MNOVXSKESA-N 1 0 201.310 1.700 10 0 BDAERO CCCOCCO[C@H]1CCCC[C@@H]1[NH3+] ZINC000082528488 169310327 /nfs/dbraw/zinc/31/03/27/169310327.db2.gz ZPQMOXQWCGYACI-QWRGUYRKSA-N 1 0 201.310 1.700 10 0 BDAERO CCCO[C@@H]1CCC[N@H+](CCCC(=O)OC)C1 ZINC000042423207 169310667 /nfs/dbraw/zinc/31/06/67/169310667.db2.gz RWRNCKDGPDNVPA-GFCCVEGCSA-N 1 0 243.347 1.831 10 0 BDAERO CCCO[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000037024971 169313272 /nfs/dbraw/zinc/31/32/72/169313272.db2.gz HTCMEHRGWHVIIT-RYUDHWBXSA-N 1 0 207.273 1.874 10 0 BDAERO c1ccc([C@H]2COC3(CC[NH2+]CC3)O2)cc1 ZINC000019730575 183432884 /nfs/dbraw/zinc/43/28/84/183432884.db2.gz FPQJPXVBJUYYBO-GFCCVEGCSA-N 1 0 219.284 1.854 10 0 BDAERO CCC[NH2+][C@H]1CCN(C(C2CC2)C2CC2)C1=O ZINC000049649241 169292083 /nfs/dbraw/zinc/29/20/83/169292083.db2.gz FJAIMNCUSZGEGC-LBPRGKRZSA-N 1 0 236.359 1.776 10 0 BDAERO c1c(C[C@@H]2CCC[NH2+]2)nc2ccccn12 ZINC000082913037 183463279 /nfs/dbraw/zinc/46/32/79/183463279.db2.gz RDRIBJPMSYLUKF-JTQLQIEISA-N 1 0 201.273 1.629 10 0 BDAERO CCC[C@@H](C)NC(=O)CN[C@H](C)CC[NH+](C)C ZINC000049557079 169367413 /nfs/dbraw/zinc/36/74/13/169367413.db2.gz FRGWDHLCPZLAHB-VXGBXAGGSA-N 1 0 243.395 1.221 10 0 BDAERO CCC[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336765691 169371390 /nfs/dbraw/zinc/37/13/90/169371390.db2.gz RCBIDFWMNBCDOI-NXEZZACHSA-N 1 0 212.337 1.822 10 0 BDAERO CCC[C@@H](CC)NC(=O)[C@@H]1CC12C[NH2+]C2 ZINC000309829107 169377793 /nfs/dbraw/zinc/37/77/93/169377793.db2.gz JFCNYIBSVHQBNA-ZJUUUORDSA-N 1 0 210.321 1.291 10 0 BDAERO CCC[C@@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000019842531 169393729 /nfs/dbraw/zinc/39/37/29/169393729.db2.gz HXLJYHIWRGGQGN-MRVPVSSYSA-N 1 0 233.271 1.016 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cnnn1C ZINC000310040282 169419335 /nfs/dbraw/zinc/41/93/35/169419335.db2.gz XRUWTNHQLYMLSU-PWSUYJOCSA-N 1 0 222.336 1.874 10 0 BDAERO CCC[C@@H](C)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000182186086 134342747 /nfs/dbraw/zinc/34/27/47/134342747.db2.gz YBJSFVYTXIYSDU-TZMCWYRMSA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H]2C[NH2+]CC[C@H]2C1 ZINC000083339324 166651837 /nfs/dbraw/zinc/65/18/37/166651837.db2.gz LDCZQGWHLLGWAH-MNOVXSKESA-N 1 0 240.347 1.853 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CC[C@@H]2[NH3+])C1 ZINC000095836141 166654496 /nfs/dbraw/zinc/65/44/96/166654496.db2.gz RSNCULHDYLMJGK-DCAQKATOSA-N 1 0 240.347 1.981 10 0 BDAERO CCC[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037481695 169491703 /nfs/dbraw/zinc/49/17/03/169491703.db2.gz JJWMLTLBNCJNDY-WHXUTIOJSA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)(C)SCC(=O)N1CCC[C@H]1C[NH3+] ZINC000132883765 166688543 /nfs/dbraw/zinc/68/85/43/166688543.db2.gz NFXRUQOROUZUCD-VIFPVBQESA-N 1 0 230.377 1.468 10 0 BDAERO CC[C@H](NC(=O)[C@@H]1CC[C@@H](C[NH3+])O1)C(C)C ZINC000227226937 134376472 /nfs/dbraw/zinc/37/64/72/134376472.db2.gz KHQBAELUQHYCNZ-DCAQKATOSA-N 1 0 228.336 1.044 10 0 BDAERO C[C@H](CCCO)[NH2+]CCc1ccccc1 ZINC000087358076 383827434 /nfs/dbraw/zinc/82/74/34/383827434.db2.gz DZXHSKGSOVIPPX-GFCCVEGCSA-N 1 0 207.317 1.980 10 0 BDAERO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CCCO ZINC000087358178 383827476 /nfs/dbraw/zinc/82/74/76/383827476.db2.gz DIGWGMGIZRQQTK-QWRGUYRKSA-N 1 0 217.353 1.941 10 0 BDAERO C[C@]1(CN2CC[C@@H]([NH3+])C2)CCCS1 ZINC000227394502 383857737 /nfs/dbraw/zinc/85/77/37/383857737.db2.gz OEUFKOFGLBMHOZ-NXEZZACHSA-N 1 0 200.351 1.305 10 0 BDAERO Cc1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000066327954 383858802 /nfs/dbraw/zinc/85/88/02/383858802.db2.gz ALGAEHWMNZFLNJ-RYUDHWBXSA-N 1 0 202.301 1.651 10 0 BDAERO Cn1c2ccccc2nc1SCCC[NH3+] ZINC000111357161 383859621 /nfs/dbraw/zinc/85/96/21/383859621.db2.gz VDLZKNXYZOLKBI-UHFFFAOYSA-O 1 0 222.337 1.433 10 0 BDAERO CCC[C@H](C)[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000187687017 383881491 /nfs/dbraw/zinc/88/14/91/383881491.db2.gz AUEJNOYEMPWBED-STQMWFEESA-N 1 0 228.380 1.564 10 0 BDAERO CCc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)OC ZINC000067173387 383915616 /nfs/dbraw/zinc/91/56/16/383915616.db2.gz MBRQSGOXKYAVMC-OLZOCXBDSA-N 1 0 233.311 1.725 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C)o1 ZINC000037017762 383932824 /nfs/dbraw/zinc/93/28/24/383932824.db2.gz ZMOXCFNXKSOQBF-KOLCDFICSA-N 1 0 224.304 1.749 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN(Cc2ccccc2)C1 ZINC000068593207 384002019 /nfs/dbraw/zinc/00/20/19/384002019.db2.gz ZIGFEJOVAYQSSS-YPMHNXCESA-N 1 0 204.317 1.856 10 0 BDAERO F[C@H]1C[NH2+]CC[C@H]1c1ccc2[nH]ccc2n1 ZINC000089221319 383949152 /nfs/dbraw/zinc/94/91/52/383949152.db2.gz YPXJCORPWOMKNX-BDAKNGLRSA-N 1 0 219.263 1.978 10 0 BDAERO Cc1cncc(N2CCC([C@H](C)[NH3+])CC2)n1 ZINC000089212889 383950001 /nfs/dbraw/zinc/95/00/01/383950001.db2.gz WDCXMVFVTSAPPE-JTQLQIEISA-N 1 0 220.320 1.349 10 0 BDAERO O=c1c2ccc[nH]c-2cn1CC[NH+]1CCCCC1 ZINC000089223370 383951370 /nfs/dbraw/zinc/95/13/70/383951370.db2.gz FVWSKLLXUDIJRS-UHFFFAOYSA-N 1 0 245.326 1.523 10 0 BDAERO CC(C)(C)OC(=O)NC[C@H]1CSCC[NH2+]1 ZINC000068577517 384000600 /nfs/dbraw/zinc/00/06/00/384000600.db2.gz WBROBAGOGJAZOY-QMMMGPOBSA-N 1 0 232.349 1.216 10 0 BDAERO Cc1ocnc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113231037 383972452 /nfs/dbraw/zinc/97/24/52/383972452.db2.gz BKRQMNNEYHQKLZ-ONGXEEELSA-N 1 0 249.314 1.292 10 0 BDAERO COC[C@@]1(C(=O)N2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000643614548 384015903 /nfs/dbraw/zinc/01/59/03/384015903.db2.gz BOLDIXIHKVYLIH-WCQYABFASA-N 1 0 240.347 1.014 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000401791559 384020088 /nfs/dbraw/zinc/02/00/88/384020088.db2.gz NYGSXZVAWSAULS-XQQFMLRXSA-N 1 0 228.380 1.730 10 0 BDAERO COC[C@@]1(C(=O)N2CCCC[C@H]2C)CCC[NH2+]1 ZINC000643617049 384009746 /nfs/dbraw/zinc/00/97/46/384009746.db2.gz PHMJRRVOAYJVKI-DGCLKSJQSA-N 1 0 240.347 1.156 10 0 BDAERO C[C@H]([NH3+])Cc1csc([C@@H]2CCCO2)n1 ZINC000165584800 384032030 /nfs/dbraw/zinc/03/20/30/384032030.db2.gz ZTRAEHIBQSBEGY-CBAPKCEASA-N 1 0 212.318 1.884 10 0 BDAERO NC(=[NH2+])COc1cncc(Br)c1 ZINC000070043780 384075888 /nfs/dbraw/zinc/07/58/88/384075888.db2.gz KQGNJSYZHRQBDL-UHFFFAOYSA-N 1 0 230.065 1.159 10 0 BDAERO COC(=O)c1cccc2c1C(C)(C)C[NH2+]C2 ZINC000091351959 384120522 /nfs/dbraw/zinc/12/05/22/384120522.db2.gz MCIQHCXPHBZEEV-UHFFFAOYSA-N 1 0 219.284 1.854 10 0 BDAERO C[C@@H](NC[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000070634492 384127300 /nfs/dbraw/zinc/12/73/00/384127300.db2.gz BRXGKRMKDTYYFJ-RKDXNWHRSA-N 1 0 211.334 1.403 10 0 BDAERO C[C@H](C[NH3+])CNc1ncnc2sccc21 ZINC000084901577 384127660 /nfs/dbraw/zinc/12/76/60/384127660.db2.gz WSUOCVNPXXEWRQ-SSDOTTSWSA-N 1 0 222.317 1.698 10 0 BDAERO CC(=O)CC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116316955 384129037 /nfs/dbraw/zinc/12/90/37/384129037.db2.gz MIJMTVKLBYJREF-LLVKDONJSA-N 1 0 221.304 1.189 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000092055956 384162426 /nfs/dbraw/zinc/16/24/26/384162426.db2.gz FTNPZKSTFXGTAL-TZMCWYRMSA-N 1 0 234.343 1.668 10 0 BDAERO Cn1ccs/c1=N\C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000163228592 384179555 /nfs/dbraw/zinc/17/95/55/384179555.db2.gz YPCUXYKHRBIJAV-SMEOSRJESA-N 1 0 239.344 1.031 10 0 BDAERO [NH3+]CCCNc1nccc(C(F)(F)F)n1 ZINC000081586320 384189276 /nfs/dbraw/zinc/18/92/76/384189276.db2.gz VCBASKNTOHOHOX-UHFFFAOYSA-N 1 0 220.198 1.256 10 0 BDAERO C[C@@H](C[NH2+][C@@H](C)c1cccnc1)N1CCOCC1 ZINC000092737782 384191370 /nfs/dbraw/zinc/19/13/70/384191370.db2.gz XDXFEFIKOYJFQM-STQMWFEESA-N 1 0 249.358 1.453 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1cccs1)n1cccn1 ZINC000043106945 384199810 /nfs/dbraw/zinc/19/98/10/384199810.db2.gz GDVNFLZNEFXCBC-PSASIEDQSA-N 1 0 207.302 1.881 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1ccncc1 ZINC000282318747 384233442 /nfs/dbraw/zinc/23/34/42/384233442.db2.gz KXIXLXQLZRGPRV-HOSYDEDBSA-N 1 0 233.315 1.399 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)o1 ZINC000282338921 384236773 /nfs/dbraw/zinc/23/67/73/384236773.db2.gz MBGFEJSFEQRXSC-KOLCDFICSA-N 1 0 222.288 1.345 10 0 BDAERO CC(C)CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082559605 384237615 /nfs/dbraw/zinc/23/76/15/384237615.db2.gz HOYFOHLQSLZWIQ-QWRGUYRKSA-N 1 0 212.337 1.394 10 0 BDAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1cccs1 ZINC000081899153 384211759 /nfs/dbraw/zinc/21/17/59/384211759.db2.gz CCBQDUUHAGISBO-RKDXNWHRSA-N 1 0 247.385 1.832 10 0 BDAERO COCCN1CC[N@H+](CCCSC)C[C@H]1C ZINC000173678579 384247141 /nfs/dbraw/zinc/24/71/41/384247141.db2.gz LRGAYGXDYKKALA-GFCCVEGCSA-N 1 0 246.420 1.392 10 0 BDAERO C[C@@H](N(C)C(=O)[C@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000643642170 384266662 /nfs/dbraw/zinc/26/66/62/384266662.db2.gz WJXBFTUKJHUVKP-MNOVXSKESA-N 1 0 242.363 1.115 10 0 BDAERO [NH3+][C@@H]1CCOC[C@@H]1Cc1ccc(F)cc1 ZINC000074155770 384275545 /nfs/dbraw/zinc/27/55/45/384275545.db2.gz KHIBBEBUSYFDLL-CMPLNLGQSA-N 1 0 209.264 1.732 10 0 BDAERO Cc1ccoc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335552867 384319415 /nfs/dbraw/zinc/31/94/15/384319415.db2.gz LGVSDMHKXPQZSA-RKDXNWHRSA-N 1 0 208.261 1.150 10 0 BDAERO COC(=O)c1cncc([C@H]2CCCC[NH2+]2)c1 ZINC000097758661 384282191 /nfs/dbraw/zinc/28/21/91/384282191.db2.gz ZBTOUDNZFUFGRZ-LLVKDONJSA-N 1 0 220.272 1.683 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000097758738 384283521 /nfs/dbraw/zinc/28/35/21/384283521.db2.gz BOVQFQZKCCZQFQ-UHFFFAOYSA-N 1 0 226.320 1.749 10 0 BDAERO COc1ccc(/C=C\C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000214354086 384294911 /nfs/dbraw/zinc/29/49/11/384294911.db2.gz CSPMEEYMIRPBHC-UIJKISKDSA-N 1 0 248.326 1.562 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1sccc1Cl ZINC000335557159 384322181 /nfs/dbraw/zinc/32/21/81/384322181.db2.gz JTUWWXKQCFSSMC-MRVPVSSYSA-N 1 0 244.747 1.770 10 0 BDAERO Cc1cnc(OC[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000095069349 384335409 /nfs/dbraw/zinc/33/54/09/384335409.db2.gz BZYLTIPXXYTLFF-SECBINFHSA-N 1 0 241.722 1.817 10 0 BDAERO Clc1cc(SC[C@H]2CC[NH2+]C2)ncn1 ZINC000095070456 384336683 /nfs/dbraw/zinc/33/66/83/384336683.db2.gz KLGKNELDMDHABE-ZETCQYMHSA-N 1 0 229.736 1.832 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)c1cc(Cl)ncn1 ZINC000095070962 384338625 /nfs/dbraw/zinc/33/86/25/384338625.db2.gz YMMALYIPKMHXDH-QMMMGPOBSA-N 1 0 226.711 1.318 10 0 BDAERO Cc1ccc(N(C)C[C@H]2CCCC[NH2+]2)nn1 ZINC000095070771 384339058 /nfs/dbraw/zinc/33/90/58/384339058.db2.gz ZSLNCVIXFLQSPQ-LLVKDONJSA-N 1 0 220.320 1.363 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)c1ccnc(Cl)n1 ZINC000095070923 384339193 /nfs/dbraw/zinc/33/91/93/384339193.db2.gz DDVNVHZIDKOLCP-MRVPVSSYSA-N 1 0 226.711 1.318 10 0 BDAERO CN(C[C@@H]1CC[NH2+]C1)c1nccc(Cl)n1 ZINC000095071224 384339306 /nfs/dbraw/zinc/33/93/06/384339306.db2.gz CTDOFQPSHOXPMB-MRVPVSSYSA-N 1 0 226.711 1.176 10 0 BDAERO CN(C[C@@H]1CC[NH2+]C1)c1cc(Cl)ncn1 ZINC000095071242 384339355 /nfs/dbraw/zinc/33/93/55/384339355.db2.gz AZDWNDZAGLZLCK-MRVPVSSYSA-N 1 0 226.711 1.176 10 0 BDAERO Cc1cnc(N(C)C[C@H]2CC[NH2+]C2)nc1Cl ZINC000095071207 384339371 /nfs/dbraw/zinc/33/93/71/384339371.db2.gz GMOHOFWHAHINCA-VIFPVBQESA-N 1 0 240.738 1.484 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095070816 384339508 /nfs/dbraw/zinc/33/95/08/384339508.db2.gz BDVRVIBUPVLQPE-JTQLQIEISA-N 1 0 206.293 1.055 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)c1nc2ccccc2[nH]1 ZINC000095070981 384339614 /nfs/dbraw/zinc/33/96/14/384339614.db2.gz GBPZTIIGHCIADY-SNVBAGLBSA-N 1 0 230.315 1.751 10 0 BDAERO CN(Cc1ccnc(Cl)n1)C[C@H]1CC[NH2+]C1 ZINC000095071295 384340900 /nfs/dbraw/zinc/34/09/00/384340900.db2.gz NCDVWYXBSWPEND-VIFPVBQESA-N 1 0 240.738 1.171 10 0 BDAERO CSc1nccnc1CNC[C@@H]1CCC[NH2+]1 ZINC000095071934 384341641 /nfs/dbraw/zinc/34/16/41/384341641.db2.gz HMYITEABBGDDJQ-VIFPVBQESA-N 1 0 238.360 1.040 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc(Cl)nn1 ZINC000095072313 384343297 /nfs/dbraw/zinc/34/32/97/384343297.db2.gz MKYXLVKALSNTEO-NXEZZACHSA-N 1 0 240.738 1.490 10 0 BDAERO [NH3+]C[C@H]1CCCN(c2nc3cccnc3[nH]2)C1 ZINC000095072511 384343770 /nfs/dbraw/zinc/34/37/70/384343770.db2.gz ITADPOFIIMWIEQ-SECBINFHSA-N 1 0 231.303 1.085 10 0 BDAERO O=C(COCC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072925 384344988 /nfs/dbraw/zinc/34/49/88/384344988.db2.gz IBAZMVJMERHTRE-NSHDSACASA-N 1 0 237.299 1.869 10 0 BDAERO O=C(COC[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000095072886 384345117 /nfs/dbraw/zinc/34/51/17/384345117.db2.gz FYSSTYMPTYYXCV-JTQLQIEISA-N 1 0 239.340 1.947 10 0 BDAERO O=[S@@](c1cnc2ccccc2n1)[C@@H]1CC[NH2+]C1 ZINC000095072990 384345936 /nfs/dbraw/zinc/34/59/36/384345936.db2.gz ZVKQGLRLHYVDTR-XLFHBGCDSA-N 1 0 247.323 1.099 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncccc2F)C1 ZINC000335583353 384346266 /nfs/dbraw/zinc/34/62/66/384346266.db2.gz WHUVQVOSRXGYBP-BDAKNGLRSA-N 1 0 209.268 1.760 10 0 BDAERO O=[S@@](Cc1ccccn1)C[C@H]1CCCC[NH2+]1 ZINC000095073511 384347707 /nfs/dbraw/zinc/34/77/07/384347707.db2.gz BZLHGSNOSSSFKB-MLGOLLRUSA-N 1 0 238.356 1.472 10 0 BDAERO O=[S@](C[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000095073477 384348193 /nfs/dbraw/zinc/34/81/93/384348193.db2.gz DWPRWQSTMGDGMA-BONVTDFDSA-N 1 0 224.329 1.331 10 0 BDAERO O=[S@](Cc1cccnc1)C[C@H]1CCC[NH2+]1 ZINC000095073574 384348961 /nfs/dbraw/zinc/34/89/61/384348961.db2.gz RNGWWCDJLVPGRV-ABAIWWIYSA-N 1 0 224.329 1.082 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000235346300 384349546 /nfs/dbraw/zinc/34/95/46/384349546.db2.gz BVGLJNADZNVVMB-ONGXEEELSA-N 1 0 238.335 1.300 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](CCN2CCCCC2)C1 ZINC000335586889 384352654 /nfs/dbraw/zinc/35/26/54/384352654.db2.gz VUVRPMNTMUKYDT-QWHCGFSZSA-N 1 0 226.364 1.175 10 0 BDAERO FC(F)(F)N[C@H]1CCC[N@@H+](C2CC2)C1 ZINC000095077028 384353250 /nfs/dbraw/zinc/35/32/50/384353250.db2.gz IGYZYBBCZQXFJW-ZETCQYMHSA-N 1 0 208.227 1.723 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@H]1CNC(F)(F)F ZINC000095088271 384360106 /nfs/dbraw/zinc/36/01/06/384360106.db2.gz WYFIEWPSDNUCGT-MRVPVSSYSA-N 1 0 210.243 1.969 10 0 BDAERO c1cnc(COC[C@@H]2CCCC[NH2+]2)cn1 ZINC000095092699 384363671 /nfs/dbraw/zinc/36/36/71/384363671.db2.gz XYOSTQRKRGDQIT-JTQLQIEISA-N 1 0 207.277 1.135 10 0 BDAERO Cc1cnn(CC[N@H+]2CCC[C@H](O)[C@@H]2C)c1 ZINC000335596261 384363913 /nfs/dbraw/zinc/36/39/13/384363913.db2.gz HBOYGFARCFGOBS-RYUDHWBXSA-N 1 0 223.320 1.037 10 0 BDAERO CN1C(=O)C[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000095347711 384368488 /nfs/dbraw/zinc/36/84/88/384368488.db2.gz VPJNCUJVFAIGTH-JQWIXIFHSA-N 1 0 204.273 1.165 10 0 BDAERO CC[C@@H]1COCC[N@@H+]1C1CCC(=O)CC1 ZINC000157221467 384329601 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/nfs/dbraw/zinc/33/29/95/384332995.db2.gz RBPYRHRFLGZJRA-BMIGLBTASA-N 1 0 224.329 1.107 10 0 BDAERO Cc1ccc([S@@](=O)C2CC[NH2+]CC2)nc1 ZINC000095069050 384333098 /nfs/dbraw/zinc/33/30/98/384333098.db2.gz MHSPNHZOYUVYPW-OAHLLOKOSA-N 1 0 224.329 1.250 10 0 BDAERO Cc1cc(Cl)nc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000095069567 384334705 /nfs/dbraw/zinc/33/47/05/384334705.db2.gz QPASOSZHASWYBJ-QMMMGPOBSA-N 1 0 226.711 1.237 10 0 BDAERO Cc1c(Br)ccnc1C[NH3+] ZINC000095751469 384392803 /nfs/dbraw/zinc/39/28/03/384392803.db2.gz FCLQDRMNTKHGAL-UHFFFAOYSA-N 1 0 201.067 1.611 10 0 BDAERO O=S(=O)(Cc1ccco1)C[C@@H]1CCC[NH2+]C1 ZINC000095908553 384407874 /nfs/dbraw/zinc/40/78/74/384407874.db2.gz PTFLEPTZZJUNCG-SNVBAGLBSA-N 1 0 243.328 1.194 10 0 BDAERO Cn1ccnc1-c1cncnc1C1CC[NH2+]CC1 ZINC000095930165 384409603 /nfs/dbraw/zinc/40/96/03/384409603.db2.gz PVQJAYNEPXWVBL-UHFFFAOYSA-N 1 0 243.314 1.344 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NCc1cccc(O)c1 ZINC000335644699 384417874 /nfs/dbraw/zinc/41/78/74/384417874.db2.gz YBJTUMQHUUOVKP-GXFFZTMASA-N 1 0 220.316 1.622 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1CC=CC1 ZINC000084212601 384377530 /nfs/dbraw/zinc/37/75/30/384377530.db2.gz NSMUPUICJPGQMI-GHMZBOCLSA-N 1 0 208.305 1.196 10 0 BDAERO CC(C)[C@@H]1C[N@H+](CC(C)(C)O)CCCO1 ZINC000334174335 384378740 /nfs/dbraw/zinc/37/87/40/384378740.db2.gz AYIBHTOTMAONFN-NSHDSACASA-N 1 0 215.337 1.504 10 0 BDAERO Cc1nc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cs1 ZINC000084223518 384379473 /nfs/dbraw/zinc/37/94/73/384379473.db2.gz WPEALJWBISEZIT-ONGXEEELSA-N 1 0 226.345 1.702 10 0 BDAERO COC(=O)c1cc(C[NH3+])ccc1C(F)F ZINC000095643202 384425613 /nfs/dbraw/zinc/42/56/13/384425613.db2.gz HNQXNYNMTXJHQX-UHFFFAOYSA-N 1 0 215.199 1.870 10 0 BDAERO O=C1NC[C@@H](C[NH2+][C@@H]2CC3CCC2CC3)O1 ZINC000309835892 384435913 /nfs/dbraw/zinc/43/59/13/384435913.db2.gz LQNYZURFZMZFHO-JPPWEJMLSA-N 1 0 224.304 1.263 10 0 BDAERO CCC(CC)(CO)C[NH2+]Cc1cnn(C)c1C ZINC000229817375 384437320 /nfs/dbraw/zinc/43/73/20/384437320.db2.gz QLIVFOXVWPHJNM-UHFFFAOYSA-N 1 0 239.363 1.617 10 0 BDAERO Cc1c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cnn1C ZINC000335662323 384464795 /nfs/dbraw/zinc/46/47/95/384464795.db2.gz NUJOWGUVAISDSQ-PEGIJTEDSA-N 1 0 205.305 1.617 10 0 BDAERO C[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000149254952 384475198 /nfs/dbraw/zinc/47/51/98/384475198.db2.gz MVZWSLRCUZOVAA-JQWIXIFHSA-N 1 0 222.332 1.339 10 0 BDAERO c1nc2c(ccnc2N2CC[NH2+]CC2)s1 ZINC000079204850 384487468 /nfs/dbraw/zinc/48/74/68/384487468.db2.gz ZFSHCEPWKGEXRA-UHFFFAOYSA-N 1 0 220.301 1.101 10 0 BDAERO C[NH2+][C@H]1CCCCCC[C@@H]1S(C)(=O)=O ZINC000054930201 384512975 /nfs/dbraw/zinc/51/29/75/384512975.db2.gz LNWFNWKTAZRONK-UWVGGRQHSA-N 1 0 219.350 1.342 10 0 BDAERO CCSCC[NH2+][C@@H]1CCCn2ncnc21 ZINC000372461367 384514267 /nfs/dbraw/zinc/51/42/67/384514267.db2.gz BJABWYNKUQCYQU-SECBINFHSA-N 1 0 226.349 1.456 10 0 BDAERO CC[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643793827 384514607 /nfs/dbraw/zinc/51/46/07/384514607.db2.gz AOGIMRQLRNVYRQ-GRYCIOLGSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1ccnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000123017635 384529297 /nfs/dbraw/zinc/52/92/97/384529297.db2.gz GCGATOUAQNNYGU-RYUDHWBXSA-N 1 0 232.331 1.458 10 0 BDAERO COC(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)OC ZINC000161830010 384530013 /nfs/dbraw/zinc/53/00/13/384530013.db2.gz LAGLERMIQXGKGD-LLVKDONJSA-N 1 0 239.319 1.556 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000372897780 384537940 /nfs/dbraw/zinc/53/79/40/384537940.db2.gz QBUJISNOEAKAGD-LBPRGKRZSA-N 1 0 215.337 1.648 10 0 BDAERO CC(C)([NH3+])c1cn(CCC[C@H]2CCOC2)nn1 ZINC000400660957 384584916 /nfs/dbraw/zinc/58/49/16/384584916.db2.gz WLQODDOSRBGRFX-JTQLQIEISA-N 1 0 238.335 1.289 10 0 BDAERO O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000403132048 384566927 /nfs/dbraw/zinc/56/69/27/384566927.db2.gz SIQVNGCWAGVZAT-KKOKHZNYSA-N 1 0 222.332 1.148 10 0 BDAERO CCOC[C@@H]1C[C@@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000098181473 384602633 /nfs/dbraw/zinc/60/26/33/384602633.db2.gz ZWOQZIBNZLCVOU-ZJUUUORDSA-N 1 0 244.335 1.360 10 0 BDAERO Cc1ccc(CN2CC[C@H]([NH3+])C2=O)s1 ZINC000050225615 384609195 /nfs/dbraw/zinc/60/91/95/384609195.db2.gz NMEAUTVRSQFDPF-VIFPVBQESA-N 1 0 210.302 1.116 10 0 BDAERO CC(C)[C@@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000300859066 384611111 /nfs/dbraw/zinc/61/11/11/384611111.db2.gz IQKTVBQRWXGXIU-RYUDHWBXSA-N 1 0 215.337 1.240 10 0 BDAERO Cc1cnc(CN[C@@H](C)[C@H]2CCCO2)nc1 ZINC000309794755 384614796 /nfs/dbraw/zinc/61/47/96/384614796.db2.gz PWTRUVVPCWWEOX-WDEREUQCSA-N 1 0 221.304 1.442 10 0 BDAERO C[C@H](C[NH2+]C1CC(C)(C)C1)N1CCOCC1 ZINC000309598157 384614780 /nfs/dbraw/zinc/61/47/80/384614780.db2.gz WUCSDSFBLVTJJR-LLVKDONJSA-N 1 0 226.364 1.485 10 0 BDAERO COCCN1CC[N@H+](CCSC)C[C@@H]1C ZINC000171630473 384616608 /nfs/dbraw/zinc/61/66/08/384616608.db2.gz MDTOZZCKIIMIAG-NSHDSACASA-N 1 0 232.393 1.002 10 0 BDAERO COC[C@H](C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103428925 384623217 /nfs/dbraw/zinc/62/32/17/384623217.db2.gz OVENJIIIHDCGMI-JTQLQIEISA-N 1 0 240.347 1.012 10 0 BDAERO COc1ccc([C@@]2(CO)CC[NH2+]C2)cc1F ZINC000258601445 384623356 /nfs/dbraw/zinc/62/33/56/384623356.db2.gz AGLOWYNZZCWGPW-LBPRGKRZSA-N 1 0 225.263 1.058 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403293846 384623666 /nfs/dbraw/zinc/62/36/66/384623666.db2.gz KNVNUTNRCFHEHR-IYKVGLELSA-N 1 0 222.332 1.419 10 0 BDAERO [NH3+][C@H]1CC[C@H](Nc2cc(Cl)ncn2)CC1 ZINC000100267903 384628253 /nfs/dbraw/zinc/62/82/53/384628253.db2.gz JJFASFCKKYPCGL-OCAPTIKFSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+]Cc1ccc(I)s1 ZINC000098095772 384593160 /nfs/dbraw/zinc/59/31/60/384593160.db2.gz KFBPBNIKCOEEHY-UHFFFAOYSA-N 1 0 239.081 1.811 10 0 BDAERO C/C=C\CS(=O)(=O)Cc1nccn1CC ZINC000255498833 384664725 /nfs/dbraw/zinc/66/47/25/384664725.db2.gz LUHRELXKBJZYQY-HYXAFXHYSA-N 1 0 228.317 1.394 10 0 BDAERO COC(=O)C[C@@H]1Oc2ccccc2[C@H]1[NH3+] ZINC000082162613 384648078 /nfs/dbraw/zinc/64/80/78/384648078.db2.gz JUUWPGXFNPVDEV-GXSJLCMTSA-N 1 0 207.229 1.011 10 0 BDAERO COc1ccc(N2CC[NH2+]CC2)nc1Cl ZINC000141571144 384677985 /nfs/dbraw/zinc/67/79/85/384677985.db2.gz TVZIYEDUSCZFPV-UHFFFAOYSA-N 1 0 227.695 1.153 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCC(F)(F)F ZINC000335913199 384678422 /nfs/dbraw/zinc/67/84/22/384678422.db2.gz UQZAPTREJZFNAU-RNFRBKRXSA-N 1 0 224.226 1.277 10 0 BDAERO c1cnc(SC[C@@H]2CCC[NH2+]C2)cn1 ZINC000082433473 384681483 /nfs/dbraw/zinc/68/14/83/384681483.db2.gz BSRQOICPBSBAMA-SECBINFHSA-N 1 0 209.318 1.568 10 0 BDAERO CC(C)[C@H]1CN(CC(F)(F)F)CC[NH2+]1 ZINC000082925321 384726806 /nfs/dbraw/zinc/72/68/06/384726806.db2.gz VCJOQYHIIZAOGU-MRVPVSSYSA-N 1 0 210.243 1.479 10 0 BDAERO c1cnc(OCC[C@@H]2CCCC[NH2+]2)cn1 ZINC000051871236 384697553 /nfs/dbraw/zinc/69/75/53/384697553.db2.gz GBNOAYMMKSEVCK-JTQLQIEISA-N 1 0 207.277 1.388 10 0 BDAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]CC1(C)COC1 ZINC000309662802 384698793 /nfs/dbraw/zinc/69/87/93/384698793.db2.gz GNXHSDHTZAKWMW-VXGBXAGGSA-N 1 0 227.348 1.674 10 0 BDAERO [NH3+]C[C@H]1C[C@H]2Cc3c4ccccc4[nH]c3CN2C1 ZINC000102132643 384699207 /nfs/dbraw/zinc/69/92/07/384699207.db2.gz SWGYRTDBCKJJOX-MNOVXSKESA-N 1 0 241.338 1.873 10 0 BDAERO Cc1ccc2c(c1)[C@H](NC(=O)C[NH+](C)C)[C@H](C)C2 ZINC000162857773 384700144 /nfs/dbraw/zinc/70/01/44/384700144.db2.gz TZIBDVOEHHXIGL-IAQYHMDHSA-N 1 0 246.354 1.906 10 0 BDAERO CC[C@@H](C)CN(CC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643728032 384704917 /nfs/dbraw/zinc/70/49/17/384704917.db2.gz WTVUNQADNROJBL-VXGBXAGGSA-N 1 0 242.363 1.117 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+][C@H]1c1ccc(OC)cc1 ZINC000051971711 384708848 /nfs/dbraw/zinc/70/88/48/384708848.db2.gz ZIFNSVMYHQPTFI-NEPJUHHUSA-N 1 0 235.283 1.519 10 0 BDAERO c1cn(CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cn1 ZINC000163012051 384719844 /nfs/dbraw/zinc/71/98/44/384719844.db2.gz XOHCOCOAHIFELN-CYBMUJFWSA-N 1 0 245.330 1.833 10 0 BDAERO [NH3+][C@H](C(=O)N[C@@H]1COc2ccccc21)C1CCC1 ZINC000335021872 384773370 /nfs/dbraw/zinc/77/33/70/384773370.db2.gz JFAMIEIQOBCHRN-YPMHNXCESA-N 1 0 246.310 1.364 10 0 BDAERO C[C@H](C[NH3+])Nc1ncnc2sccc21 ZINC000082576109 384774458 /nfs/dbraw/zinc/77/44/58/384774458.db2.gz BHWICDAUKJJJKO-ZCFIWIBFSA-N 1 0 208.290 1.450 10 0 BDAERO [NH3+][C@@H](CO)Cc1ccc(Br)s1 ZINC000044463760 384734334 /nfs/dbraw/zinc/73/43/34/384734334.db2.gz QGJZINFJKJGNKD-RXMQYKEDSA-N 1 0 236.134 1.373 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CCO1 ZINC000300395810 384752169 /nfs/dbraw/zinc/75/21/69/384752169.db2.gz KCZIJQWLNRXMCR-XQHKEYJVSA-N 1 0 227.348 1.695 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]CCF)C12CCOCC2 ZINC000309979431 384758375 /nfs/dbraw/zinc/75/83/75/384758375.db2.gz VMODLGUYLVKQEM-WDEREUQCSA-N 1 0 231.311 1.520 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccn(C)n1 ZINC000309999478 384771419 /nfs/dbraw/zinc/77/14/19/384771419.db2.gz DHHQSXVKVWGKDF-DCAQKATOSA-N 1 0 223.320 1.638 10 0 BDAERO N[C@H](C[NH3+])c1c(F)cc(Cl)cc1F ZINC000072200695 384815992 /nfs/dbraw/zinc/81/59/92/384815992.db2.gz VXLOGQNZPYKBQU-SSDOTTSWSA-N 1 0 206.623 1.577 10 0 BDAERO CC(C)n1ccnc1C[NH2+]C(C)(C)CC(N)=O ZINC000186223871 384829558 /nfs/dbraw/zinc/82/95/58/384829558.db2.gz SZKYYIKYHMIFJW-UHFFFAOYSA-N 1 0 238.335 1.208 10 0 BDAERO CCCCC[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000308596871 384831755 /nfs/dbraw/zinc/83/17/55/384831755.db2.gz ZFWSFQRWXBMJLZ-MNOVXSKESA-N 1 0 201.310 1.258 10 0 BDAERO Fc1cc(F)c(CN[C@H]2CC[NH2+]C2)c(F)c1 ZINC000335009281 384792194 /nfs/dbraw/zinc/79/21/94/384792194.db2.gz VJXFXMWPVFMJPI-QMMMGPOBSA-N 1 0 230.233 1.555 10 0 BDAERO CC[C@@H]([NH2+]C(CO)CO)c1ccccc1 ZINC000083692415 384792975 /nfs/dbraw/zinc/79/29/75/384792975.db2.gz CUMMASILFLXDAG-GFCCVEGCSA-N 1 0 209.289 1.081 10 0 BDAERO [NH3+][C@@H](CO)c1c(F)c(F)cc(F)c1F ZINC000072198081 384812582 /nfs/dbraw/zinc/81/25/82/384812582.db2.gz PRNUMLVESTVYSK-YFKPBYRVSA-N 1 0 209.142 1.235 10 0 BDAERO CC[N@H+](C[C@H](C)OC)C[C@@](C)(O)CC ZINC000361558400 384813069 /nfs/dbraw/zinc/81/30/69/384813069.db2.gz HLWZAZJZZISEDI-QWRGUYRKSA-N 1 0 203.326 1.504 10 0 BDAERO [NH3+][C@@H](CO)c1cccc(F)c1Br ZINC000072198741 384814464 /nfs/dbraw/zinc/81/44/64/384814464.db2.gz KSTWIVUAXRGCID-ZETCQYMHSA-N 1 0 234.068 1.580 10 0 BDAERO CNc1ccc2c(CC[NH3+])cc(=O)oc2c1 ZINC000254286815 384876465 /nfs/dbraw/zinc/87/64/65/384876465.db2.gz XXAVEPYKEYQYMJ-UHFFFAOYSA-N 1 0 218.256 1.336 10 0 in-vitro BDAERO CC(C)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909798 384887963 /nfs/dbraw/zinc/88/79/63/384887963.db2.gz CQXMMQFENCFMPG-GFCCVEGCSA-N 1 0 234.347 1.786 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccnc(C)n1 ZINC000174924306 384850887 /nfs/dbraw/zinc/85/08/87/384850887.db2.gz RRBQDKASORYAHX-QWHCGFSZSA-N 1 0 246.358 1.848 10 0 BDAERO COc1ccsc1CNC[C@H]1CC[NH2+]C1 ZINC000398333547 384854486 /nfs/dbraw/zinc/85/44/86/384854486.db2.gz ANXVCNJWHINSKI-VIFPVBQESA-N 1 0 226.345 1.456 10 0 BDAERO CSC1(C[NH2+]C[C@@H](C)N2CCOCC2)CC1 ZINC000309835396 384866100 /nfs/dbraw/zinc/86/61/00/384866100.db2.gz AZXYNDGUUCJALL-LLVKDONJSA-N 1 0 244.404 1.192 10 0 BDAERO COC(=O)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000057496950 384949634 /nfs/dbraw/zinc/94/96/34/384949634.db2.gz OFTXIFNBTWHKFG-SECBINFHSA-N 1 0 213.664 1.555 10 0 BDAERO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000127416859 384893175 /nfs/dbraw/zinc/89/31/75/384893175.db2.gz MJPJLQCJMGOWGR-LLVKDONJSA-N 1 0 236.319 1.025 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCN(C)C)C12CCC2 ZINC000365122948 384903424 /nfs/dbraw/zinc/90/34/24/384903424.db2.gz FLCYVJVGAYLYAV-QJPTWQEYSA-N 1 0 226.364 1.341 10 0 BDAERO CC(C)c1noc(N2CCC[C@H]2C[NH3+])n1 ZINC000107211596 384914515 /nfs/dbraw/zinc/91/45/15/384914515.db2.gz GDVOPTQTUXXHLR-QMMMGPOBSA-N 1 0 210.281 1.121 10 0 BDAERO FC(F)(F)C(F)(F)O[C@H]1CCC[NH2+]C1 ZINC000057218983 384932311 /nfs/dbraw/zinc/93/23/11/384932311.db2.gz MZZLGEFPQPNLTA-YFKPBYRVSA-N 1 0 219.153 1.910 10 0 BDAERO c1cnc2ccc(OC3C[NH2+]C3)cc2c1 ZINC000106877899 384936381 /nfs/dbraw/zinc/93/63/81/384936381.db2.gz ILFFZSJVSDNGNP-UHFFFAOYSA-N 1 0 200.241 1.585 10 0 BDAERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH+](C)C ZINC000148437958 384937818 /nfs/dbraw/zinc/93/78/18/384937818.db2.gz MBFVKSDHAZSASS-NXEZZACHSA-N 1 0 228.336 1.803 10 0 BDAERO CNc1cccc(N2CC[NH+](C)CC2)c1 ZINC000106885696 384941354 /nfs/dbraw/zinc/94/13/54/384941354.db2.gz SUSOJIGIDAFUGK-UHFFFAOYSA-N 1 0 205.305 1.480 10 0 BDAERO CCc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)nc1 ZINC000339005544 384967462 /nfs/dbraw/zinc/96/74/62/384967462.db2.gz RPDMUESHEPWDLB-ZDUSSCGKSA-N 1 0 234.343 1.848 10 0 BDAERO C[C@H]([NH3+])CNC(=O)[C@H](C)OCc1ccccc1 ZINC000404383129 384973294 /nfs/dbraw/zinc/97/32/94/384973294.db2.gz DFFYQZIZUJSWNX-QWRGUYRKSA-N 1 0 236.315 1.055 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000187740842 384978486 /nfs/dbraw/zinc/97/84/86/384978486.db2.gz XZPIOHXWYXDETR-FYJFLYSWSA-N 1 0 233.315 1.190 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000404450855 385000040 /nfs/dbraw/zinc/00/00/40/385000040.db2.gz MMKGFVZPPIIQNT-JTQLQIEISA-N 1 0 225.361 1.717 10 0 BDAERO CC(C)C1([NH2+]C[C@H](C)CS(C)(=O)=O)CC1 ZINC000339512099 385010292 /nfs/dbraw/zinc/01/02/92/385010292.db2.gz WZDCUBHKULCJMU-JTQLQIEISA-N 1 0 233.377 1.445 10 0 BDAERO OC1CC(CNc2ccncc2Cl)C1 ZINC000086839520 385051504 /nfs/dbraw/zinc/05/15/04/385051504.db2.gz NRWZXMYURXOOMN-UHFFFAOYSA-N 1 0 212.680 1.918 10 0 BDAERO C[C@@H](CCCC[NH3+])Nc1ccnc(N(C)C)n1 ZINC000310390424 385028273 /nfs/dbraw/zinc/02/82/73/385028273.db2.gz ITXTVYVOVHSUJK-JTQLQIEISA-N 1 0 237.351 1.472 10 0 BDAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@]1(C)CCCO1 ZINC000340237313 385043121 /nfs/dbraw/zinc/04/31/21/385043121.db2.gz SJGWLKMKDUTMSR-GVXVVHGQSA-N 1 0 229.364 1.941 10 0 BDAERO C(c1noc([C@]23CCC[C@@H]2C[NH2+]C3)n1)C1CC1 ZINC000407986771 385111376 /nfs/dbraw/zinc/11/13/76/385111376.db2.gz IRMGZFTVWRORAB-MFKMUULPSA-N 1 0 233.315 1.663 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)c2nccs2)c1 ZINC000129242535 385127266 /nfs/dbraw/zinc/12/72/66/385127266.db2.gz MIJNELMFVIBTAN-SNVBAGLBSA-N 1 0 236.344 1.999 10 0 BDAERO Cc1cc(C)c(C(=O)N2CC[C@H]([NH+](C)C)C2)o1 ZINC000176455490 385092972 /nfs/dbraw/zinc/09/29/72/385092972.db2.gz MWOHAYHJPQVCEU-NSHDSACASA-N 1 0 236.315 1.673 10 0 BDAERO c1nnc([C@@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)[nH]1 ZINC000407948924 385095477 /nfs/dbraw/zinc/09/54/77/385095477.db2.gz BBOKPJNJCFSJRB-GHMZBOCLSA-N 1 0 236.319 1.021 10 0 BDAERO C[C@H](C[NH3+])Nc1nc2c(cccc2F)o1 ZINC000107207872 385189500 /nfs/dbraw/zinc/18/95/00/385189500.db2.gz YGJLWYUCAPTADC-ZCFIWIBFSA-N 1 0 209.224 1.726 10 0 BDAERO c1ccc(OCCCOC2C[NH2+]C2)cc1 ZINC000062809949 385190559 /nfs/dbraw/zinc/19/05/59/385190559.db2.gz BUDYVDBVQOWWCD-UHFFFAOYSA-N 1 0 207.273 1.444 10 0 BDAERO C[C@@H](Cc1ccccc1)N1CC[C@H]([NH3+])C1 ZINC000062179977 385162004 /nfs/dbraw/zinc/16/20/04/385162004.db2.gz VYCJCYWDYQWLCA-AAEUAGOBSA-N 1 0 204.317 1.651 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1ccc(Br)cc1 ZINC000259057478 385176498 /nfs/dbraw/zinc/17/64/98/385176498.db2.gz WYVXVMCFZCWHMI-JTQLQIEISA-N 1 0 241.132 1.987 10 0 BDAERO CCCC[C@H](COC)[NH2+]C[C@H]1CCC[C@H]1O ZINC000252711437 385208708 /nfs/dbraw/zinc/20/87/08/385208708.db2.gz JMJMJOBBVCBGIT-JHJVBQTASA-N 1 0 229.364 1.942 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000177308998 385218342 /nfs/dbraw/zinc/21/83/42/385218342.db2.gz OOYMYIMGQPNHTH-WCQYABFASA-N 1 0 246.358 1.834 10 0 BDAERO CC(C)[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000305792815 385226429 /nfs/dbraw/zinc/22/64/29/385226429.db2.gz UMDXTLAUXVNUAY-FMCLSXCISA-N 1 0 241.375 1.797 10 0 BDAERO C[C@@H]1CC(C[NH2+]CC2(O)CCC2)C[C@@H](C)O1 ZINC000564864412 385226739 /nfs/dbraw/zinc/22/67/39/385226739.db2.gz QELMWUPBSJFYHK-GHMZBOCLSA-N 1 0 227.348 1.695 10 0 BDAERO [NH3+]C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000306562311 385240797 /nfs/dbraw/zinc/24/07/97/385240797.db2.gz CIMFTRHSKXRLOO-JGVFFNPUSA-N 1 0 215.297 1.014 10 0 BDAERO c1cnc2[nH]c([C@@H]3CCC[NH2+]C3)nc2c1 ZINC000044264147 385307876 /nfs/dbraw/zinc/30/78/76/385307876.db2.gz MVKDZTUDQNDEOE-MRVPVSSYSA-N 1 0 202.261 1.425 10 0 BDAERO Cc1c(F)cccc1-n1cc(C[NH3+])nn1 ZINC000050224202 385312551 /nfs/dbraw/zinc/31/25/51/385312551.db2.gz FZEHZDCXJDOYSN-UHFFFAOYSA-N 1 0 206.224 1.174 10 0 BDAERO O=C(c1cccc(F)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000131183783 385317619 /nfs/dbraw/zinc/31/76/19/385317619.db2.gz MUNSSHMMBQIHGR-SNVBAGLBSA-N 1 0 249.289 1.141 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052270674 385270680 /nfs/dbraw/zinc/27/06/80/385270680.db2.gz UABMFDDXPJPJDQ-JOYOIKCWSA-N 1 0 219.284 1.971 10 0 BDAERO Cc1nnc2c(N[C@H](C)CCCC[NH3+])nccn12 ZINC000311026766 385289821 /nfs/dbraw/zinc/28/98/21/385289821.db2.gz RYBKKIBMJDBHDK-SECBINFHSA-N 1 0 248.334 1.362 10 0 BDAERO [NH3+][C@H](CO)c1c(F)cc(Cl)cc1F ZINC000072198060 385296616 /nfs/dbraw/zinc/29/66/16/385296616.db2.gz QCORVCRDCJQOGW-SSDOTTSWSA-N 1 0 207.607 1.610 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1Cl ZINC000336407456 385356520 /nfs/dbraw/zinc/35/65/20/385356520.db2.gz DANKYVAPKNJVKB-LDYMZIIASA-N 1 0 238.718 1.879 10 0 BDAERO CCC[C@@H](C(=O)N[C@@H](C)C1CC1)[NH+](C)C ZINC000179267404 385371986 /nfs/dbraw/zinc/37/19/86/385371986.db2.gz RSQXETBNFQMQPF-ONGXEEELSA-N 1 0 212.337 1.631 10 0 BDAERO OCC[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000161593634 385374679 /nfs/dbraw/zinc/37/46/79/385374679.db2.gz BSIKMRIJBRLCND-LLVKDONJSA-N 1 0 213.321 1.117 10 0 BDAERO C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1cccs1 ZINC000644016493 385376997 /nfs/dbraw/zinc/37/69/97/385376997.db2.gz XHEPBNQWVPXDAG-PSASIEDQSA-N 1 0 238.356 1.923 10 0 BDAERO Cc1nc(OCC[NH3+])cc(N2CCCCC2)n1 ZINC000409431345 385327096 /nfs/dbraw/zinc/32/70/96/385327096.db2.gz PONWNBBWPHHRSC-UHFFFAOYSA-N 1 0 236.319 1.113 10 0 BDAERO COC[C@@]12CN(CC(=[NH2+])NO)C[C@H]1CCCC2 ZINC000409428912 385328441 /nfs/dbraw/zinc/32/84/41/385328441.db2.gz GYSWKIOTPULINP-ZYHUDNBSSA-N 1 0 241.335 1.081 10 0 BDAERO Cc1ccnc(N[C@@H](C)CCCC[NH3+])n1 ZINC000336708960 385395134 /nfs/dbraw/zinc/39/51/34/385395134.db2.gz SORNIFJMINIYSB-VIFPVBQESA-N 1 0 208.309 1.714 10 0 BDAERO Cc1nc(N2CCO[C@H]([C@@H](C)[NH3+])C2)sc1C ZINC000169217182 385410088 /nfs/dbraw/zinc/41/00/88/385410088.db2.gz YCHORTHJVFKUIX-XCBNKYQSSA-N 1 0 241.360 1.312 10 0 BDAERO C(SC1=NCCS1)[C@@H]1CCC[NH2+]1 ZINC000169724924 385416776 /nfs/dbraw/zinc/41/67/76/385416776.db2.gz PNEMWHYGZRYETP-ZETCQYMHSA-N 1 0 202.348 1.574 10 0 BDAERO COC(=O)[C@@H](N)[C@H](C)Oc1ccc(Cl)cc1 ZINC000169726792 385418257 /nfs/dbraw/zinc/41/82/57/385418257.db2.gz FCTACNBDFVWBLA-XVKPBYJWSA-N 1 0 243.690 1.608 10 0 BDAERO COC(=O)[C@H](N)[C@H](C)Oc1ccccc1F ZINC000169726734 385418487 /nfs/dbraw/zinc/41/84/87/385418487.db2.gz JFMXGMRORDTAKF-OIBJUYFYSA-N 1 0 227.235 1.093 10 0 BDAERO COC(=O)[C@H](N)COc1cccc(Cl)c1 ZINC000169726699 385418584 /nfs/dbraw/zinc/41/85/84/385418584.db2.gz RJFVOXSHEMGUQI-SECBINFHSA-N 1 0 229.663 1.219 10 0 BDAERO COC(=O)[C@@H](N)[C@H](C)Oc1ccc(F)cc1 ZINC000169726784 385418700 /nfs/dbraw/zinc/41/87/00/385418700.db2.gz SMFUZPGUYKRTRK-XVKPBYJWSA-N 1 0 227.235 1.093 10 0 BDAERO COC(=O)[C@@H](N)[C@H](C)Oc1ccccc1F ZINC000169726732 385419087 /nfs/dbraw/zinc/41/90/87/385419087.db2.gz JFMXGMRORDTAKF-XVKPBYJWSA-N 1 0 227.235 1.093 10 0 BDAERO Cc1ccsc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170863677 385450987 /nfs/dbraw/zinc/45/09/87/385450987.db2.gz HLLGGUHTQHUAMT-SNVBAGLBSA-N 1 0 238.356 1.833 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2cnc3ccccc3n2)C1 ZINC000170844142 385451551 /nfs/dbraw/zinc/45/15/51/385451551.db2.gz QXXNAFNVIIZFMH-NSHDSACASA-N 1 0 242.326 1.770 10 0 BDAERO Cc1cc(C)nc(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000170844095 385451966 /nfs/dbraw/zinc/45/19/66/385451966.db2.gz ZFIYCASFNQSPPM-LLVKDONJSA-N 1 0 220.320 1.234 10 0 BDAERO Cc1cnn([C@H]2CCC[N@@H+](C[C@@H](C)O)C2)c1 ZINC000194951524 385452652 /nfs/dbraw/zinc/45/26/52/385452652.db2.gz DZLMFMTYMXYBNK-NEPJUHHUSA-N 1 0 223.320 1.209 10 0 BDAERO Cc1cnn([C@@H]2CCC[N@@H+](C[C@@H](C)O)C2)c1 ZINC000194951509 385453939 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385490909 /nfs/dbraw/zinc/49/09/09/385490909.db2.gz VXFXIRUXBHKDGN-CMPLNLGQSA-N 1 0 210.321 1.433 10 0 BDAERO Cc1cncc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282043271 385490992 /nfs/dbraw/zinc/49/09/92/385490992.db2.gz ARQKWRPBBWSOTO-ZYHUDNBSSA-N 1 0 233.315 1.147 10 0 BDAERO [NH3+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000328579610 385491184 /nfs/dbraw/zinc/49/11/84/385491184.db2.gz QYPXKTOTFOLRID-LBPRGKRZSA-N 1 0 221.300 1.476 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](Cc3cnc[nH]3)C2)cn1 ZINC000179807294 385491441 /nfs/dbraw/zinc/49/14/41/385491441.db2.gz AIHUMKVSDHYUJV-JTQLQIEISA-N 1 0 231.303 1.133 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCC2CCCC2)C1 ZINC000309257245 385501835 /nfs/dbraw/zinc/50/18/35/385501835.db2.gz GVAAXDSAMDOTOC-CHWSQXEVSA-N 1 0 227.348 1.648 10 0 BDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000257849953 385502117 /nfs/dbraw/zinc/50/21/17/385502117.db2.gz AZPFTFAUELRFPV-SECBINFHSA-N 1 0 217.334 1.096 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CC2CCCCC2)C1 ZINC000309289123 385516148 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/nfs/dbraw/zinc/70/03/40/385700340.db2.gz WOBQUWWQRASFQH-WDEREUQCSA-N 1 0 216.284 1.231 10 0 BDAERO [NH3+]C[C@@]1(CC2CCCCC2)CNCCO1 ZINC000211950071 385701748 /nfs/dbraw/zinc/70/17/48/385701748.db2.gz FDIJUIRMUVBBAW-LBPRGKRZSA-N 1 0 212.337 1.274 10 0 BDAERO Cc1nc([C@](O)(C[NH3+])C(F)(F)F)cs1 ZINC000307000180 385815374 /nfs/dbraw/zinc/81/53/74/385815374.db2.gz BQLIVSRSUCHGDQ-ZCFIWIBFSA-N 1 0 226.223 1.160 10 0 BDAERO C[C@H]1CC2(C[C@H](C)O1)[NH2+]CCCS2 ZINC000133635018 385841221 /nfs/dbraw/zinc/84/12/21/385841221.db2.gz FTLSNUICLWMGNW-IUCAKERBSA-N 1 0 201.335 1.997 10 0 BDAERO C/C(=C\Cl)CN1CC[NH2+]C[C@H](C)C1 ZINC000307312184 385842744 /nfs/dbraw/zinc/84/27/44/385842744.db2.gz GFXBNDADPAPSSF-CYNRKNSPSA-N 1 0 202.729 1.670 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H](c2ccccc2OC)C1 ZINC000215988410 385855442 /nfs/dbraw/zinc/85/54/42/385855442.db2.gz XFAZMAUIINZKLQ-QWRGUYRKSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H](c2cccc(OC)c2)C1 ZINC000215987134 385855700 /nfs/dbraw/zinc/85/57/00/385855700.db2.gz KJPUEJXQNOKFSV-RYUDHWBXSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H](c2ccccc2OC)C1 ZINC000215988458 385855868 /nfs/dbraw/zinc/85/58/68/385855868.db2.gz XFAZMAUIINZKLQ-WDEREUQCSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000215984893 385855920 /nfs/dbraw/zinc/85/59/20/385855920.db2.gz REDZZAJVUJPRRR-NWDGAFQWSA-N 1 0 237.274 1.692 10 0 BDAERO CC(C)(O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088022867 385981543 /nfs/dbraw/zinc/98/15/43/385981543.db2.gz VHLVFENFJMWLFW-YPMHNXCESA-N 1 0 227.348 1.384 10 0 BDAERO CC[C@@H](COC)[NH2+]CCn1cc(C)cn1 ZINC000124010381 385984532 /nfs/dbraw/zinc/98/45/32/385984532.db2.gz PNHDYBXRNLCUBD-NSHDSACASA-N 1 0 211.309 1.206 10 0 BDAERO C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)N1CCOCC1 ZINC000336748989 385988278 /nfs/dbraw/zinc/98/82/78/385988278.db2.gz TUBUFBDUEJCMHM-VOAKCMCISA-N 1 0 226.364 1.341 10 0 BDAERO Fc1ccc(C2=[NH+]CCN2)cc1Br ZINC000307135672 385932898 /nfs/dbraw/zinc/93/28/98/385932898.db2.gz RLHZATHLDXVBDS-UHFFFAOYSA-N 1 0 243.079 1.938 10 0 BDAERO Cc1nc(CC[NH2+]C[C@H](O)C(C)(C)C)cs1 ZINC000304213457 385947049 /nfs/dbraw/zinc/94/70/49/385947049.db2.gz FRDBUYCSXWBCEY-NSHDSACASA-N 1 0 242.388 1.991 10 0 BDAERO COC(=O)c1cc(C[NH2+][C@H]2C[C@H]2C)cn1C ZINC000336746700 385961884 /nfs/dbraw/zinc/96/18/84/385961884.db2.gz WTEGABFIEMPBLM-SCZZXKLOSA-N 1 0 222.288 1.310 10 0 BDAERO C[C@H]1CSC[C@]1([NH3+])Cc1ccns1 ZINC000575558866 386004191 /nfs/dbraw/zinc/00/41/91/386004191.db2.gz DRDCUBQUYINMBW-IONNQARKSA-N 1 0 214.359 1.766 10 0 BDAERO C[C@H]1SCC[C@@]1([NH3+])C1CCOCC1 ZINC000575558889 386005086 /nfs/dbraw/zinc/00/50/86/386005086.db2.gz DQLHILJTQDIIIM-SCZZXKLOSA-N 1 0 201.335 1.636 10 0 BDAERO COC(=O)[C@]1(c2cccc(C)c2)CC[NH2+]C1 ZINC000261297754 386014873 /nfs/dbraw/zinc/01/48/73/386014873.db2.gz PDCTYVKORRQBBA-CYBMUJFWSA-N 1 0 219.284 1.399 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C)[C@]12CCCO2 ZINC000309916987 386034383 /nfs/dbraw/zinc/03/43/83/386034383.db2.gz PYVHMERJVFZCPB-UJPOAAIJSA-N 1 0 225.332 1.711 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C)[C@]12CCCO2 ZINC000309916985 386034876 /nfs/dbraw/zinc/03/48/76/386034876.db2.gz PYVHMERJVFZCPB-OBPIAQAESA-N 1 0 225.332 1.711 10 0 BDAERO C[C@@H]([NH2+][C@@H]1C[C@H]1C)C(C)(C)n1cncn1 ZINC000336773560 386107610 /nfs/dbraw/zinc/10/76/10/386107610.db2.gz YXYWPOYPZVITTI-OPRDCNLKSA-N 1 0 208.309 1.400 10 0 BDAERO C[C@@H]([NH3+])Cc1noc(-c2cccs2)n1 ZINC000054161326 386114131 /nfs/dbraw/zinc/11/41/31/386114131.db2.gz UNSVOFKTSQVZBT-ZCFIWIBFSA-N 1 0 209.274 1.688 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189775627 386088793 /nfs/dbraw/zinc/08/87/93/386088793.db2.gz DIEKEXLDXHEODZ-QWRGUYRKSA-N 1 0 239.363 1.521 10 0 BDAERO Cc1nc(Cl)cc(N[C@@H]2CC[N@@H+](C)C2)n1 ZINC000052836640 386095101 /nfs/dbraw/zinc/09/51/01/386095101.db2.gz VSMWUQXGLBIHGJ-MRVPVSSYSA-N 1 0 226.711 1.554 10 0 BDAERO CC(C)(C)c1cc(N2CCC([NH3+])CC2)n[nH]1 ZINC000129674518 386098117 /nfs/dbraw/zinc/09/81/17/386098117.db2.gz KHNKLXBXWXXZFW-UHFFFAOYSA-N 1 0 222.336 1.635 10 0 BDAERO C[NH2+][C@@]1(CO)CCSc2ccccc21 ZINC000038121128 386124917 /nfs/dbraw/zinc/12/49/17/386124917.db2.gz VKQLQCBCSGSWSC-LLVKDONJSA-N 1 0 209.314 1.589 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000347061056 386209445 /nfs/dbraw/zinc/20/94/45/386209445.db2.gz WEZKAZNMKHVAEB-NSHDSACASA-N 1 0 213.321 1.260 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300026758 386221715 /nfs/dbraw/zinc/22/17/15/386221715.db2.gz FSASGEGAIXYUNI-UONOGXRCSA-N 1 0 241.375 1.632 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CCC12CC([NH3+])C2 ZINC000263620130 386298250 /nfs/dbraw/zinc/29/82/50/386298250.db2.gz YQXBVCBCBXDETB-XEVUQIKYSA-N 1 0 226.320 1.781 10 0 BDAERO Cc1nnc(N(C)CC[C@H]([NH3+])C(C)C)s1 ZINC000125763341 386310948 /nfs/dbraw/zinc/31/09/48/386310948.db2.gz FEJXFYVYLNLOKA-VIFPVBQESA-N 1 0 228.365 1.656 10 0 BDAERO C[C@@H]1CCN1[C@@]1(C[NH3+])CCS[C@H]1C ZINC000575589080 386311382 /nfs/dbraw/zinc/31/13/82/386311382.db2.gz GKQRHCAGWWNUFP-KXUCPTDWSA-N 1 0 200.351 1.304 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2C1 ZINC000425527825 386317335 /nfs/dbraw/zinc/31/73/35/386317335.db2.gz ODFKYWHRLQYUTN-HOSYDEDBSA-N 1 0 222.288 1.267 10 0 BDAERO CC[C@H](CN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC)OC ZINC000336731371 386317449 /nfs/dbraw/zinc/31/74/49/386317449.db2.gz YQBLOUAVSXFKML-HZSPNIEDSA-N 1 0 240.391 1.970 10 0 BDAERO C[C@H]1CN(C(=O)N[C@@H]2CC[C@@H](C)CC2)C[C@@H]1[NH3+] ZINC000417552592 386357764 /nfs/dbraw/zinc/35/77/64/386357764.db2.gz DOZYERQQFSADRM-BJDJZHNGSA-N 1 0 239.363 1.554 10 0 BDAERO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000188259830 386334458 /nfs/dbraw/zinc/33/44/58/386334458.db2.gz PYZPOTVJFOPOCB-UWVGGRQHSA-N 1 0 229.345 1.963 10 0 BDAERO CCc1ccc(N)cc1NC1=[NH+]CCN1 ZINC000521400658 386448264 /nfs/dbraw/zinc/44/82/64/386448264.db2.gz CEZDGTPITYVWTK-UHFFFAOYSA-N 1 0 204.277 1.202 10 0 BDAERO Cc1noc(C)c1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399200588 386449972 /nfs/dbraw/zinc/44/99/72/386449972.db2.gz CFYFZXDIJNWYKW-GZMMTYOYSA-N 1 0 224.304 1.637 10 0 BDAERO Cc1noc(C)c1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399200600 386450520 /nfs/dbraw/zinc/45/05/20/386450520.db2.gz CFYFZXDIJNWYKW-KWQFWETISA-N 1 0 224.304 1.637 10 0 BDAERO COC(C)(C)CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000336694527 386391040 /nfs/dbraw/zinc/39/10/40/386391040.db2.gz LMHOZIDBIOWNPA-STQMWFEESA-N 1 0 240.391 1.970 10 0 BDAERO CCC(C)(C)CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335439641 386496750 /nfs/dbraw/zinc/49/67/50/386496750.db2.gz VSZUCVGRPSNPLE-ZJUUUORDSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@H]1CC[C@H](O)CN1CC(=O)Nc1ccccc1 ZINC000399322076 386502747 /nfs/dbraw/zinc/50/27/47/386502747.db2.gz VOCLSJBPNMZCJP-AAEUAGOBSA-N 1 0 248.326 1.470 10 0 BDAERO Cc1nc(C(=O)[C@@H]2CCC[C@H]2[NH3+])cs1 ZINC000307249736 386508415 /nfs/dbraw/zinc/50/84/15/386508415.db2.gz OUWUTRUTZKNCFM-HTQZYQBOSA-N 1 0 210.302 1.762 10 0 BDAERO CCOc1ccc(NC2=[NH+]CCN2)c(N)c1 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1.781 10 0 BDAERO Cn1c(Cl)ncc1[C@@]1(F)CC[NH2+]C1 ZINC000575464217 387045593 /nfs/dbraw/zinc/04/55/93/387045593.db2.gz ZAJKTTIZUPWYAX-MRVPVSSYSA-N 1 0 203.648 1.232 10 0 BDAERO [NH3+][C@]1(c2cscn2)CCCSC1 ZINC000575464707 387059886 /nfs/dbraw/zinc/05/98/86/387059886.db2.gz RTLHLSVFYNPTRO-MRVPVSSYSA-N 1 0 200.332 1.824 10 0 BDAERO OC[C@@H]1[NH2+]CC[C@@]12CCCSCC2 ZINC000575454645 387025665 /nfs/dbraw/zinc/02/56/65/387025665.db2.gz NUOQRWKLLQLKEP-VHSXEESVSA-N 1 0 201.335 1.244 10 0 BDAERO [NH3+]C1(Cc2cc(Br)cs2)COC1 ZINC000575469659 387091247 /nfs/dbraw/zinc/09/12/47/387091247.db2.gz IDXAISTWNWLXNG-UHFFFAOYSA-N 1 0 248.145 1.781 10 0 BDAERO CCOCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186500529 387100321 /nfs/dbraw/zinc/10/03/21/387100321.db2.gz MXPQJUBFQBUECU-LLVKDONJSA-N 1 0 240.347 1.156 10 0 BDAERO COC(=O)c1ccc(NC(=O)C[NH3+])c(Cl)c1 ZINC000575436918 387105652 /nfs/dbraw/zinc/10/56/52/387105652.db2.gz VYHFBFZTBGTYLK-UHFFFAOYSA-N 1 0 242.662 1.024 10 0 BDAERO c1ccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)cc1 ZINC000250648558 387121287 /nfs/dbraw/zinc/12/12/87/387121287.db2.gz NQOZBPSEWFZGRL-UONOGXRCSA-N 1 0 232.327 1.249 10 0 BDAERO CC[C@](C)(O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119399530 387125053 /nfs/dbraw/zinc/12/50/53/387125053.db2.gz YTUPOCQXIJXLAF-MXWKQRLJSA-N 1 0 201.310 1.257 10 0 BDAERO C[NH2+]Cc1nc(N(C(C)C)C(C)C)n[nH]1 ZINC000536956801 387129415 /nfs/dbraw/zinc/12/94/15/387129415.db2.gz AZLZFBYDXYZZSP-UHFFFAOYSA-N 1 0 211.313 1.147 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N(C)CC[N@H+](C)C2CC2)O1 ZINC000186805065 387142023 /nfs/dbraw/zinc/14/20/23/387142023.db2.gz IKGNCJDASUQZEA-ZYHUDNBSSA-N 1 0 240.347 1.107 10 0 BDAERO C1C[C@@H](S[C@@H]2CCC[NH2+]CC2)CO1 ZINC000575585900 387146695 /nfs/dbraw/zinc/14/66/95/387146695.db2.gz PGNMCVPMBVYPKO-NXEZZACHSA-N 1 0 201.335 1.651 10 0 BDAERO FC(F)(F)[C@]1(c2nc(C3CC3)no2)CC[NH2+]C1 ZINC000104194152 387153969 /nfs/dbraw/zinc/15/39/69/387153969.db2.gz KNPZIODWGOHSOV-SECBINFHSA-N 1 0 247.220 1.740 10 0 BDAERO C[C@@H](O)CN1CC[N@@H+](C2CCCC2)C[C@H]1C ZINC000120089997 387157296 /nfs/dbraw/zinc/15/72/96/387157296.db2.gz OPXZMFPGXFYYII-VXGBXAGGSA-N 1 0 226.364 1.316 10 0 BDAERO CC1(C)C[NH2+][C@H]1c1nccn1CC1CC1 ZINC000536948707 387160794 /nfs/dbraw/zinc/16/07/94/387160794.db2.gz FVOXWCLJSGPPHK-JTQLQIEISA-N 1 0 205.305 1.964 10 0 BDAERO Cc1ncc2c(n1)[C@@H]1CCCC[C@@H]1[NH2+]C2 ZINC000536952102 387165590 /nfs/dbraw/zinc/16/55/90/387165590.db2.gz GRQBIFADAKDGJT-MNOVXSKESA-N 1 0 203.289 1.914 10 0 BDAERO C[C@@H]1CSC[C@H]1N1CCC[C@H]([NH3+])C1 ZINC000306445653 387165628 /nfs/dbraw/zinc/16/56/28/387165628.db2.gz QZGVGLCNNAOBLE-KXUCPTDWSA-N 1 0 200.351 1.161 10 0 BDAERO CN1C(=O)c2cc(Cl)ccc2[C@H]1C[NH3+] ZINC000536954737 387167364 /nfs/dbraw/zinc/16/73/64/387167364.db2.gz LUMTVWCCZRHUMA-SECBINFHSA-N 1 0 210.664 1.425 10 0 BDAERO CCC[C@@H]1COC[C@]12[NH2+]C[C@@H](C)S2 ZINC000575480610 387172209 /nfs/dbraw/zinc/17/22/09/387172209.db2.gz KAIKCUVKKDPNRL-OPRDCNLKSA-N 1 0 201.335 1.854 10 0 BDAERO CCCC[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187165988 387173634 /nfs/dbraw/zinc/17/36/34/387173634.db2.gz GUZRTJSRYAPXAY-UHFFFAOYSA-N 1 0 222.336 1.640 10 0 BDAERO CC(C)[C@@H]([NH3+])c1nn(C)cc1Br ZINC000575481490 387188275 /nfs/dbraw/zinc/18/82/75/387188275.db2.gz GJCXKLYROKAOBD-SSDOTTSWSA-N 1 0 232.125 1.838 10 0 BDAERO CCc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)cc1 ZINC000284505092 387203358 /nfs/dbraw/zinc/20/33/58/387203358.db2.gz HNHDUSPQVXBQHQ-LSDHHAIUSA-N 1 0 249.354 1.831 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000284652023 387206604 /nfs/dbraw/zinc/20/66/04/387206604.db2.gz VHZAIOLHHLWBHH-AEGPPILISA-N 1 0 249.354 1.872 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000284652026 387207774 /nfs/dbraw/zinc/20/77/74/387207774.db2.gz VHZAIOLHHLWBHH-VHDGCEQUSA-N 1 0 249.354 1.872 10 0 BDAERO CC1(C)C[C@]1([NH3+])c1ncncc1Br ZINC000575593428 387226994 /nfs/dbraw/zinc/22/69/94/387226994.db2.gz DYVPCVJOBWWHLR-VIFPVBQESA-N 1 0 242.120 1.823 10 0 BDAERO COc1nsc(CC[NH3+])c1Br ZINC000575484644 387251958 /nfs/dbraw/zinc/25/19/58/387251958.db2.gz ZVQVGCWBWLDNKU-UHFFFAOYSA-N 1 0 237.122 1.415 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2C1 ZINC000514933033 387315994 /nfs/dbraw/zinc/31/59/94/387315994.db2.gz GFIFBHJXXAFGHW-REWJHTLYSA-N 1 0 239.359 1.506 10 0 BDAERO CCCCOCCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188200385 387256736 /nfs/dbraw/zinc/25/67/36/387256736.db2.gz APBHETOJVLHBKP-WDEREUQCSA-N 1 0 246.326 1.009 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1occc1Br ZINC000575492072 387276802 /nfs/dbraw/zinc/27/68/02/387276802.db2.gz TXCVNZDGCMRJQX-XINAWCOVSA-N 1 0 220.066 1.423 10 0 BDAERO CC1CN([C@]2(C[NH3+])CS[C@@H](C)C2)C1 ZINC000575494428 387277962 /nfs/dbraw/zinc/27/79/62/387277962.db2.gz RLYJZYNNDZYXLC-VHSXEESVSA-N 1 0 200.351 1.161 10 0 BDAERO CC1CN([C@@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000575494430 387277988 /nfs/dbraw/zinc/27/79/88/387277988.db2.gz RLYJZYNNDZYXLC-ZJUUUORDSA-N 1 0 200.351 1.161 10 0 BDAERO C[C@H]1[NH2+]CCc2c1ncn2-c1ccc(F)cn1 ZINC000575601357 387362377 /nfs/dbraw/zinc/36/23/77/387362377.db2.gz AXDVYIFGBRKVII-MRVPVSSYSA-N 1 0 232.262 1.613 10 0 BDAERO C/C(=C\c1cc(Br)nn1C)C[NH3+] ZINC000575502036 387353512 /nfs/dbraw/zinc/35/35/12/387353512.db2.gz LYNHIVIVXWZIFH-ZZXKWVIFSA-N 1 0 230.109 1.545 10 0 BDAERO C[N@H+](Cc1cccc(C(N)=O)c1)[C@@H]1CCC[C@@H]1O ZINC000352661991 387426719 /nfs/dbraw/zinc/42/67/19/387426719.db2.gz WCUIQUWPVJGFLY-OLZOCXBDSA-N 1 0 248.326 1.131 10 0 BDAERO C[C@H]1CCC[N@@H+]1C[C@@H]1CNCCS1 ZINC000575522375 387441719 /nfs/dbraw/zinc/44/17/19/387441719.db2.gz BZLHUOKKNDRPQJ-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO CCOc1cc(OCC)c(OC)cc1C[NH3+] ZINC000575721236 387443456 /nfs/dbraw/zinc/44/34/56/387443456.db2.gz FZZYHOMTNZBWPQ-UHFFFAOYSA-N 1 0 225.288 1.951 10 0 BDAERO CC[C@@H]1CS[C@H]([C@@H]2CCCCO2)[NH2+]1 ZINC000575523434 387454198 /nfs/dbraw/zinc/45/41/98/387454198.db2.gz SXMRHASQZRDDRJ-KXUCPTDWSA-N 1 0 201.335 1.997 10 0 BDAERO C[NH2+][C@@H]1CO[C@]2(C1)CC[C@H](C)SC2 ZINC000575509295 387391481 /nfs/dbraw/zinc/39/14/81/387391481.db2.gz WGMSOKPCGYTYLJ-GUBZILKMSA-N 1 0 201.335 1.649 10 0 BDAERO CC[C@]1(C(=O)N[C@H](C)c2ccncc2)CCC[NH2+]1 ZINC000122361769 387517070 /nfs/dbraw/zinc/51/70/70/387517070.db2.gz GVNISOJOQBYNKB-BXUZGUMPSA-N 1 0 247.342 1.791 10 0 BDAERO c1cc2c(ncnc2NCC[C@H]2CC[NH2+]C2)[nH]1 ZINC000516555919 387523013 /nfs/dbraw/zinc/52/30/13/387523013.db2.gz LWFMIUCLDWGZRH-SECBINFHSA-N 1 0 231.303 1.321 10 0 BDAERO CC[C@@H](C[N@@H+]1CCC[C@@H](C(=O)OC)C1)OC ZINC000396979574 387525697 /nfs/dbraw/zinc/52/56/97/387525697.db2.gz MPPDSRGMVFKKBR-MNOVXSKESA-N 1 0 229.320 1.296 10 0 BDAERO CCC[C@H](C(=O)NCc1ccc[nH]1)[NH+](C)C ZINC000122191111 387488701 /nfs/dbraw/zinc/48/87/01/387488701.db2.gz PRCVSEBSCFIHBG-LLVKDONJSA-N 1 0 223.320 1.361 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)C)CC(C)(C)C1 ZINC000304502846 387490911 /nfs/dbraw/zinc/49/09/11/387490911.db2.gz GOBPLNCMYZWZTJ-FRRDWIJNSA-N 1 0 242.407 1.713 10 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CCSCC[NH+]1CCC(n2cncn2)CC1 ZINC000122993165 387621464 /nfs/dbraw/zinc/62/14/64/387621464.db2.gz YPOXBYQVEFUHHI-UHFFFAOYSA-N 1 0 240.376 1.668 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399530464 387553102 /nfs/dbraw/zinc/55/31/02/387553102.db2.gz RRWMZZKGKANTED-DCAQKATOSA-N 1 0 214.353 1.767 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399530494 387553543 /nfs/dbraw/zinc/55/35/43/387553543.db2.gz RRWMZZKGKANTED-VWYCJHECSA-N 1 0 214.353 1.767 10 0 BDAERO C[C@@H]1C[NH2+][C@](C)(C[C@@H]2CCOC2)S1 ZINC000575534127 387556239 /nfs/dbraw/zinc/55/62/39/387556239.db2.gz UZQZWSNUQUBUMQ-UTLUCORTSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@@H]1CC[C@](C[NH3+])(N2CCC2)CS1 ZINC000575535525 387574638 /nfs/dbraw/zinc/57/46/38/387574638.db2.gz WYCBHQGQRKYWKJ-NXEZZACHSA-N 1 0 200.351 1.305 10 0 BDAERO C[C@H]1CC[C@@H]([NH2+]C2CC(O)C2)CS1 ZINC000575535564 387576488 /nfs/dbraw/zinc/57/64/88/387576488.db2.gz QNHCAFVNJQYCFL-AFWXGSBKSA-N 1 0 201.335 1.383 10 0 BDAERO CCc1ccc([C@H]2CCCCN2CC(N)=O)o1 ZINC000124826375 387634097 /nfs/dbraw/zinc/63/40/97/387634097.db2.gz KGCYIJJUMCLCEZ-LLVKDONJSA-N 1 0 236.315 1.854 10 0 BDAERO CO[C@@H]1CCC[C@]2(C1)[NH2+][C@H](C)CS2 ZINC000300213963 387650891 /nfs/dbraw/zinc/65/08/91/387650891.db2.gz HKCDGGXSMLHCEX-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000306033648 387672570 /nfs/dbraw/zinc/67/25/70/387672570.db2.gz QKYGSXQZQPYKHV-MGPQQGTHSA-N 1 0 241.375 1.630 10 0 BDAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1cscn1 ZINC000643525270 387742601 /nfs/dbraw/zinc/74/26/01/387742601.db2.gz PUBJPXXIFSSNDR-KXUCPTDWSA-N 1 0 225.361 1.934 10 0 BDAERO CCOCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128460847 387747850 /nfs/dbraw/zinc/74/78/50/387747850.db2.gz CDNSCJJIJDXDCE-CHWSQXEVSA-N 1 0 237.347 1.993 10 0 BDAERO C[C@H]1C[C@]([NH3+])(c2ccsn2)CS1 ZINC000575573905 387748899 /nfs/dbraw/zinc/74/88/99/387748899.db2.gz ZVIIEJYYJRNOML-POYBYMJQSA-N 1 0 200.332 1.823 10 0 BDAERO C[C@@H]1SCC[C@]1([NH3+])Cc1nccs1 ZINC000575558915 387699254 /nfs/dbraw/zinc/69/92/54/387699254.db2.gz DRYNLAUQSOLQRI-CBAPKCEASA-N 1 0 214.359 1.909 10 0 BDAERO C[C@@H]1CSC[C@]1([NH3+])c1cncs1 ZINC000575562325 387700820 /nfs/dbraw/zinc/70/08/20/387700820.db2.gz YTBWMSSYNUAGIN-HTRCEHHLSA-N 1 0 200.332 1.680 10 0 BDAERO C[C@@H]1SCC[C@@]1([NH3+])Cc1cncs1 ZINC000575561187 387700946 /nfs/dbraw/zinc/70/09/46/387700946.db2.gz OZPNGVDUIZDLCK-IONNQARKSA-N 1 0 214.359 1.909 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000123482540 387701341 /nfs/dbraw/zinc/70/13/41/387701341.db2.gz XMCAPGUUVIXYES-ZDUSSCGKSA-N 1 0 237.347 1.750 10 0 BDAERO C[C@H]1SCC[C@]1([NH3+])Cc1cncs1 ZINC000575561185 387701437 /nfs/dbraw/zinc/70/14/37/387701437.db2.gz OZPNGVDUIZDLCK-APPZFPTMSA-N 1 0 214.359 1.909 10 0 BDAERO [NH3+][C@@]1(CC2CCOCC2)CCSC1 ZINC000575565420 387720829 /nfs/dbraw/zinc/72/08/29/387720829.db2.gz ONUPSPNKBNGFGX-SNVBAGLBSA-N 1 0 201.335 1.638 10 0 BDAERO 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224.348 1.777 10 0 BDAERO CNC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000334596161 387983580 /nfs/dbraw/zinc/98/35/80/387983580.db2.gz LJCCQIIEZKMJNC-NEPJUHHUSA-N 1 0 233.315 1.000 10 0 BDAERO CCc1nn(C)cc1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400526899 388002692 /nfs/dbraw/zinc/00/26/92/388002692.db2.gz QIVZOQYESRLYHQ-ZJUUUORDSA-N 1 0 222.336 1.392 10 0 BDAERO C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N(C)C ZINC000082944217 388042668 /nfs/dbraw/zinc/04/26/68/388042668.db2.gz JOJXIZGFYNPMLN-KXNHARMFSA-N 1 0 226.364 1.340 10 0 BDAERO COC(=O)CCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000083705006 388060733 /nfs/dbraw/zinc/06/07/33/388060733.db2.gz WPBZPUXPTMIBIN-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO [NH3+]CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000083888582 388064958 /nfs/dbraw/zinc/06/49/58/388064958.db2.gz UTOMSACJPNVHSY-LLVKDONJSA-N 1 0 247.323 1.307 10 0 BDAERO CC(C)n1nnnc1CN1CCCC[C@@H]1C ZINC000195011632 388082965 /nfs/dbraw/zinc/08/29/65/388082965.db2.gz QGWCWZFCESFHPU-JTQLQIEISA-N 1 0 223.324 1.628 10 0 BDAERO CC[C@@H]([NH3+])CNc1cc(OC(C)C)ncn1 ZINC000085483451 388089795 /nfs/dbraw/zinc/08/97/95/388089795.db2.gz PXYVSEQMURAUAA-SECBINFHSA-N 1 0 224.308 1.413 10 0 BDAERO OC[C@H]1CC[N@H+](C[C@H]2Cc3ccccc3O2)C1 ZINC000085681975 388094484 /nfs/dbraw/zinc/09/44/84/388094484.db2.gz MCFPFSMITYQUJK-WCQYABFASA-N 1 0 233.311 1.304 10 0 BDAERO O=C1CC[NH2+]CCN1c1ccc(F)cc1 ZINC000071510998 388095943 /nfs/dbraw/zinc/09/59/43/388095943.db2.gz AXYXCGXJDBLXQN-UHFFFAOYSA-N 1 0 208.236 1.152 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2[NH2+]CC2(C)C)o1 ZINC000646297348 388178303 /nfs/dbraw/zinc/17/83/03/388178303.db2.gz BMUUDJIHFKBMBC-IUCAKERBSA-N 1 0 237.303 1.158 10 0 BDAERO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646093712 388141601 /nfs/dbraw/zinc/14/16/01/388141601.db2.gz HOWKTMBBQODLRX-NNYUYHANSA-N 1 0 224.348 1.679 10 0 BDAERO Cc1cc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])on1 ZINC000235620558 177766184 /nfs/dbraw/zinc/76/61/84/177766184.db2.gz LSHBAOMFHWGNME-WPRPVWTQSA-N 1 0 237.303 1.182 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1cc(C)c(O)c(C)c1 ZINC000036779336 388261082 /nfs/dbraw/zinc/26/10/82/388261082.db2.gz NEQKXWPFJSCGNH-JQWIXIFHSA-N 1 0 209.289 1.780 10 0 BDAERO CC(=O)c1cc2c(cc1C(C)=O)C[NH2+]CC2 ZINC000071250859 388274686 /nfs/dbraw/zinc/27/46/86/388274686.db2.gz MSIOYGONZIQTMR-UHFFFAOYSA-N 1 0 217.268 1.738 10 0 BDAERO C[C@H]1C[NH2+]C[C@@](F)(c2cncs2)C1 ZINC000575518353 388355732 /nfs/dbraw/zinc/35/57/32/388355732.db2.gz NMLPFKSCAWUKMW-VXNVDRBHSA-N 1 0 200.282 1.937 10 0 BDAERO C[C@](F)(c1cncs1)[C@H]1CC[NH2+]C1 ZINC000575519019 388355796 /nfs/dbraw/zinc/35/57/96/388355796.db2.gz YHCLHEASLXVWGL-IONNQARKSA-N 1 0 200.282 1.937 10 0 BDAERO CC1(C)CS[C@@H]([C@@H]2CCCCO2)[NH2+]1 ZINC000575522364 388358680 /nfs/dbraw/zinc/35/86/80/388358680.db2.gz BJOSEWSXUXTSKH-IUCAKERBSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]([C@H]2CCCCO2)SC1 ZINC000575523176 388358691 /nfs/dbraw/zinc/35/86/91/388358691.db2.gz NNLUQGDRPZOSJD-OPRDCNLKSA-N 1 0 201.335 1.854 10 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203.301 1.875 10 0 BDAERO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)C1CC1 ZINC000309801778 388465684 /nfs/dbraw/zinc/46/56/84/388465684.db2.gz RGSJROUIRFMTGU-SECBINFHSA-N 1 0 220.320 1.431 10 0 BDAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccnc(OC)n1 ZINC000295653575 388413605 /nfs/dbraw/zinc/41/36/05/388413605.db2.gz IZARJFYCEYQMPK-ONGXEEELSA-N 1 0 221.304 1.763 10 0 BDAERO COC(C)(C)CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000404352349 388420417 /nfs/dbraw/zinc/42/04/17/388420417.db2.gz FELPMYBFXBJKFA-JTQLQIEISA-N 1 0 230.352 1.243 10 0 BDAERO C[C@H]1CC[C@H](O)CN1Cc1cscn1 ZINC000307489482 388424452 /nfs/dbraw/zinc/42/44/52/388424452.db2.gz DYEAIPNTFXYMSC-WPRPVWTQSA-N 1 0 212.318 1.488 10 0 BDAERO CC(C)C1([NH2+]C[C@H](O)c2cccnc2)CC1 ZINC000296812189 388426498 /nfs/dbraw/zinc/42/64/98/388426498.db2.gz UZBVGUZCVUQDJB-LBPRGKRZSA-N 1 0 220.316 1.893 10 0 BDAERO CC(C)C1([NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000339518663 388484863 /nfs/dbraw/zinc/48/48/63/388484863.db2.gz YELMKBFYRSNTSO-GFCCVEGCSA-N 1 0 226.364 1.220 10 0 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1.679 10 0 BDAERO CN(c1ncc(C[NH3+])s1)C1CCCC1 ZINC000054895096 388595526 /nfs/dbraw/zinc/59/55/26/388595526.db2.gz XCUOVUXNZCWDHE-UHFFFAOYSA-N 1 0 211.334 1.981 10 0 BDAERO CC[C@H](C)[S@@](=O)C1CCC([NH3+])CC1 ZINC000055144819 388596502 /nfs/dbraw/zinc/59/65/02/388596502.db2.gz FIJLOPGXOCWZIU-XFDZKNAHSA-N 1 0 203.351 1.804 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000379291033 388605670 /nfs/dbraw/zinc/60/56/70/388605670.db2.gz JWVUDTRDXLWWSK-FRRDWIJNSA-N 1 0 226.364 1.628 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000379291032 388605813 /nfs/dbraw/zinc/60/58/13/388605813.db2.gz JWVUDTRDXLWWSK-AVGNSLFASA-N 1 0 226.364 1.628 10 0 BDAERO CC/C=C/CC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000184452150 388578562 /nfs/dbraw/zinc/57/85/62/388578562.db2.gz ZYJHAFIWLQPISM-IHVVCDCBSA-N 1 0 224.348 1.943 10 0 BDAERO CC(C)C[C@H]([NH3+])[C@H](O)c1cccc(O)c1 ZINC000054929235 388582953 /nfs/dbraw/zinc/58/29/53/388582953.db2.gz ZXQAYFOTJOCJOQ-NWDGAFQWSA-N 1 0 209.289 1.799 10 0 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238.375 1.748 10 0 BDAERO CCC[C@@H](C(=O)N(C)C(C)C)[NH+](C)C ZINC000192942201 388690235 /nfs/dbraw/zinc/69/02/35/388690235.db2.gz LKEOYHOCICIZHA-JTQLQIEISA-N 1 0 200.326 1.584 10 0 BDAERO C[C@H]1C[N@H+](CCO[C@H]2CCCCO2)CCS1 ZINC000248750077 388692228 /nfs/dbraw/zinc/69/22/28/388692228.db2.gz GPMMICIMXQXCCU-RYUDHWBXSA-N 1 0 245.388 1.967 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)C2(C)CC2)[C@@H](C)C1 ZINC000127359345 388721434 /nfs/dbraw/zinc/72/14/34/388721434.db2.gz IQMMDHSMFWBERV-QWRGUYRKSA-N 1 0 224.348 1.631 10 0 BDAERO C[C@@H]1CN(C[C@@H](O)CC(F)(F)F)C[C@@H](C)O1 ZINC000249489873 388724672 /nfs/dbraw/zinc/72/46/72/388724672.db2.gz VCPXTHIACJXBQE-HLTSFMKQSA-N 1 0 241.253 1.409 10 0 BDAERO CCN(C(=O)N[C@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000194176288 388725832 /nfs/dbraw/zinc/72/58/32/388725832.db2.gz ICFSIIUKZCCJDT-NSHDSACASA-N 1 0 239.363 1.665 10 0 BDAERO O[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000227749432 388757110 /nfs/dbraw/zinc/75/71/10/388757110.db2.gz GFQJVQICVKSDLB-UMSGYPCISA-N 1 0 227.348 1.431 10 0 BDAERO COC(=O)[C@@H]1CCC[N@H+](Cc2cnoc2C)C1 ZINC000128469521 388763057 /nfs/dbraw/zinc/76/30/57/388763057.db2.gz KJQATLGTLGTPAZ-SNVBAGLBSA-N 1 0 238.287 1.368 10 0 BDAERO OC1CC(C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000091424954 388763810 /nfs/dbraw/zinc/76/38/10/388763810.db2.gz NAAPFPLYNZUDOX-WPBUFGDCSA-N 1 0 231.339 1.904 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000252352428 388765236 /nfs/dbraw/zinc/76/52/36/388765236.db2.gz BYNZJEDTUKWZBV-RYUDHWBXSA-N 1 0 223.320 1.328 10 0 BDAERO C[C@H]1CSC[C@]1([NH3+])c1cscn1 ZINC000575463863 388831378 /nfs/dbraw/zinc/83/13/78/388831378.db2.gz GNGMSKXXKDEZIT-POYBYMJQSA-N 1 0 200.332 1.680 10 0 BDAERO CC[C@@H](SC)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000129577277 388853697 /nfs/dbraw/zinc/85/36/97/388853697.db2.gz YDPPTPSMTPRTDS-VHSXEESVSA-N 1 0 230.377 1.291 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC000566099246 388987017 /nfs/dbraw/zinc/98/70/17/388987017.db2.gz FABSYDYQURMEBP-POSLAHMBSA-N 1 0 224.348 1.761 10 0 BDAERO CC(C)[C@H]1C[C@]2(CO1)[NH2+]C[C@@H](C)S2 ZINC000575500751 388990218 /nfs/dbraw/zinc/99/02/18/388990218.db2.gz HXWBOVHWYXDUTA-BBBLOLIVSA-N 1 0 201.335 1.853 10 0 BDAERO C[C@@H]1C[C@@]2(CC[NH2+]1)NC(C)(C)CS2 ZINC000575511824 389010356 /nfs/dbraw/zinc/01/03/56/389010356.db2.gz JQUUOTHALADLAD-SCZZXKLOSA-N 1 0 200.351 1.570 10 0 BDAERO O[C@]1([C@@H]2CCC[NH2+]2)CCCSCC1 ZINC000575513281 389016930 /nfs/dbraw/zinc/01/69/30/389016930.db2.gz LJZVUEHPLMQGMJ-VHSXEESVSA-N 1 0 201.335 1.387 10 0 BDAERO CCOc1ccccc1N1CC[NH2+]C[C@H]1C ZINC000016944962 132323656 /nfs/dbraw/zinc/32/36/56/132323656.db2.gz QAXZBNPIVAFIII-LLVKDONJSA-N 1 0 220.316 1.883 10 0 BDAERO CC1(C)CN(c2cc(C[NH3+])ccn2)CCO1 ZINC000036231769 132340991 /nfs/dbraw/zinc/34/09/91/132340991.db2.gz XHICECZKKZPDMX-UHFFFAOYSA-N 1 0 221.304 1.156 10 0 BDAERO C[C@@H]1CCCN(c2ccc(C[NH3+])nn2)C1 ZINC000051396211 132360176 /nfs/dbraw/zinc/36/01/76/132360176.db2.gz UXVJHFNEKFSWEE-SECBINFHSA-N 1 0 206.293 1.172 10 0 BDAERO Cc1nc(N2CCCCC2)nc(C)c1CC[NH3+] ZINC000054836701 132365032 /nfs/dbraw/zinc/36/50/32/132365032.db2.gz CUKQBPANRXARLO-UHFFFAOYSA-N 1 0 234.347 1.585 10 0 BDAERO CCN(C)C(=O)COc1ccccc1CC[NH3+] ZINC000037720599 169677908 /nfs/dbraw/zinc/67/79/08/169677908.db2.gz ROVZTLVCTHEGQA-UHFFFAOYSA-N 1 0 236.315 1.045 10 0 BDAERO COCCCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401595913 533258360 /nfs/dbraw/zinc/25/83/60/533258360.db2.gz VLXVTSZKKKZTGM-QWRGUYRKSA-N 1 0 201.310 1.116 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2CC(O)C2)[C@@H]2CCO[C@@H]21 ZINC000084447569 322836094 /nfs/dbraw/zinc/83/60/94/322836094.db2.gz JGTVTKGEEWAMKP-KYKAPZLASA-N 1 0 225.332 1.160 10 0 BDAERO CCc1nc(C)nc(N2CCC(C[NH3+])CC2)c1C ZINC000045954886 132299319 /nfs/dbraw/zinc/29/93/19/132299319.db2.gz MPOIJNKFVQARJP-UHFFFAOYSA-N 1 0 248.374 1.831 10 0 BDAERO C[C@@H]1CCCN(c2cnccn2)[C@H]1C[NH3+] ZINC000252187828 132303737 /nfs/dbraw/zinc/30/37/37/132303737.db2.gz RCUJVSBEUNBOMY-ZJUUUORDSA-N 1 0 206.293 1.040 10 0 BDAERO c1cnc(N2CC[N@H+]3CCCC[C@H]3C2)nc1 ZINC000298271467 132308238 /nfs/dbraw/zinc/30/82/38/132308238.db2.gz AVIHRIHWKBFPNU-NSHDSACASA-N 1 0 218.304 1.151 10 0 BDAERO C[C@@H]1CN(c2ccnc3cccnc32)[C@@H](C)C[NH2+]1 ZINC000341041766 132310739 /nfs/dbraw/zinc/31/07/39/132310739.db2.gz YMONWECADDUIOJ-MNOVXSKESA-N 1 0 242.326 1.816 10 0 BDAERO Cc1cnc(C)c(N2C[C@@H](C)[NH2+]C[C@@H]2C)n1 ZINC000003716195 132315740 /nfs/dbraw/zinc/31/57/40/132315740.db2.gz QHIXNBLHEFAUEX-ZJUUUORDSA-N 1 0 220.320 1.280 10 0 BDAERO CC[C@](C)(C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000019424055 132324817 /nfs/dbraw/zinc/32/48/17/132324817.db2.gz OTAPAWWSPXVAOY-CQSZACIVSA-N 1 0 248.374 1.331 10 0 BDAERO CC1CCN(c2ccc(C(N)=[NH2+])cn2)CC1 ZINC000019422414 132324974 /nfs/dbraw/zinc/32/49/74/132324974.db2.gz UUUDARHNSHJNGT-UHFFFAOYSA-N 1 0 218.304 1.602 10 0 BDAERO COc1ccc(C)cc1N1CCC([NH3+])CC1 ZINC000019517180 132326064 /nfs/dbraw/zinc/32/60/64/132326064.db2.gz ZEUWFVZDOKINMT-UHFFFAOYSA-N 1 0 220.316 1.931 10 0 BDAERO CC[NH+]1CCN(c2ccccc2C(N)=S)CC1 ZINC000020077188 132329689 /nfs/dbraw/zinc/32/96/89/132329689.db2.gz PUYHOQVEORAGIF-UHFFFAOYSA-N 1 0 249.383 1.463 10 0 BDAERO CC(C)CC[NH+]1CCN(c2ncccc2N)CC1 ZINC000035081372 132337513 /nfs/dbraw/zinc/33/75/13/132337513.db2.gz REOKRRRJUIJSPV-UHFFFAOYSA-N 1 0 248.374 1.832 10 0 BDAERO [NH3+]CCOc1ccccc1N1C(=O)CCCC1=O ZINC000036988031 132343307 /nfs/dbraw/zinc/34/33/07/132343307.db2.gz WKRWCFXZNLHCPM-UHFFFAOYSA-N 1 0 248.282 1.068 10 0 BDAERO CC(C)[NH2+]CCN1CCN(c2ccccn2)CC1 ZINC000037610416 132345165 /nfs/dbraw/zinc/34/51/65/132345165.db2.gz VPCFQNNWAQUPRO-UHFFFAOYSA-N 1 0 248.374 1.202 10 0 BDAERO CN1c2ccccc2C2(CC[NH2+]CC2)OC1=O ZINC000039381802 132346797 /nfs/dbraw/zinc/34/67/97/132346797.db2.gz LNASWFTUMGUWPM-UHFFFAOYSA-N 1 0 232.283 1.852 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1CCSc2ccccc21 ZINC000040430919 132347598 /nfs/dbraw/zinc/34/75/98/132347598.db2.gz MEASIEQFZNXESG-MRVPVSSYSA-N 1 0 222.313 1.473 10 0 BDAERO CC[C@H]([NH3+])C(=O)N1CCSc2ccccc21 ZINC000040855026 132348501 /nfs/dbraw/zinc/34/85/01/132348501.db2.gz FIPKBHSPLYMHMC-VIFPVBQESA-N 1 0 236.340 1.863 10 0 BDAERO [NH3+]CCCC(=O)N1CCSc2ccccc21 ZINC000040854964 132348603 /nfs/dbraw/zinc/34/86/03/132348603.db2.gz YZMMAJZHWFAPAH-UHFFFAOYSA-N 1 0 236.340 1.864 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCCOC1=O ZINC000041054608 132349231 /nfs/dbraw/zinc/34/92/31/132349231.db2.gz RMKWEIMCPWMOJO-UHFFFAOYSA-N 1 0 220.272 1.753 10 0 BDAERO C[NH+](C)CC1CCN(c2ccc(CO)cn2)CC1 ZINC000042396183 132351226 /nfs/dbraw/zinc/35/12/26/132351226.db2.gz AVIKTNAZORDQMO-UHFFFAOYSA-N 1 0 249.358 1.352 10 0 BDAERO C[NH2+]CCN1c2ccccc2O[C@@H](C)C1=O ZINC000042410324 132351478 /nfs/dbraw/zinc/35/14/78/132351478.db2.gz UJSYADUKIJUTBO-VIFPVBQESA-N 1 0 220.272 1.020 10 0 BDAERO Cc1ccc(C[NH3+])c(N2CCOC[C@@H]2C)n1 ZINC000043395643 132353173 /nfs/dbraw/zinc/35/31/73/132353173.db2.gz CJVOADOGQPBCRG-JTQLQIEISA-N 1 0 221.304 1.074 10 0 BDAERO CCc1cc(N2CCC[C@@H](C[NH3+])C2)ncn1 ZINC000044532166 132354329 /nfs/dbraw/zinc/35/43/29/132354329.db2.gz BKKQRJRDGXNVLW-JTQLQIEISA-N 1 0 220.320 1.214 10 0 BDAERO Cc1[nH+]c(N2CCCCC2)nc(N)c1C ZINC000045628400 132354648 /nfs/dbraw/zinc/35/46/48/132354648.db2.gz UFIVJFNNSZCIKD-UHFFFAOYSA-N 1 0 206.293 1.666 10 0 BDAERO C[C@H]1CN(c2ncc(C[NH3+])cc2Cl)CCO1 ZINC000051396234 132360125 /nfs/dbraw/zinc/36/01/25/132360125.db2.gz SLDRCPRJSAKHHQ-QMMMGPOBSA-N 1 0 241.722 1.419 10 0 BDAERO C[C@H]1CCCN(c2ccc(C[NH3+])nn2)C1 ZINC000051396212 132360155 /nfs/dbraw/zinc/36/01/55/132360155.db2.gz UXVJHFNEKFSWEE-VIFPVBQESA-N 1 0 206.293 1.172 10 0 BDAERO C[C@@H]1CN(c2ccnc(C[NH3+])c2)C[C@H](C)O1 ZINC000051396181 132360225 /nfs/dbraw/zinc/36/02/25/132360225.db2.gz GGYUQQAUPZJTPO-AOOOYVTPSA-N 1 0 221.304 1.154 10 0 BDAERO Nc1cnc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC000052061145 132361933 /nfs/dbraw/zinc/36/19/33/132361933.db2.gz XRJDLYJJBASOSP-UHFFFAOYSA-N 1 0 247.346 1.123 10 0 BDAERO CC[C@H](C[NH2+]C)N1CCN(c2ccccc2)CC1 ZINC000052417279 132362151 /nfs/dbraw/zinc/36/21/51/132362151.db2.gz NQOLDGHZERHITH-CQSZACIVSA-N 1 0 247.386 1.807 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](CN2CCCc3ccccc32)O1 ZINC000052421545 132362183 /nfs/dbraw/zinc/36/21/83/132362183.db2.gz RLJOSXVHSRFKCI-KGLIPLIRSA-N 1 0 246.354 1.946 10 0 BDAERO CCc1cc(N2CCC[C@H]([NH2+]C)C2)ncn1 ZINC000053205018 132362874 /nfs/dbraw/zinc/36/28/74/132362874.db2.gz ICMFRGVLHUCVLM-NSHDSACASA-N 1 0 220.320 1.227 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1c1cnccn1 ZINC000053698134 132363146 /nfs/dbraw/zinc/36/31/46/132363146.db2.gz JPCGQVBDFUNDSN-LLVKDONJSA-N 1 0 220.320 1.445 10 0 BDAERO Cc1ccc(N2C[C@H](C[NH3+])CC[C@@H]2C)nc1 ZINC000053704266 132363185 /nfs/dbraw/zinc/36/31/85/132363185.db2.gz OBZCMVQYEVSPCB-RYUDHWBXSA-N 1 0 219.332 1.954 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1cnccn1 ZINC000053706557 132363467 /nfs/dbraw/zinc/36/34/67/132363467.db2.gz UGTQDUDVDYUNQY-JTQLQIEISA-N 1 0 206.293 1.055 10 0 BDAERO Cc1cnc(C)c(N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC000053712143 132363533 /nfs/dbraw/zinc/36/35/33/132363533.db2.gz LMOJDLBGBUPSBU-NXEZZACHSA-N 1 0 220.320 1.280 10 0 BDAERO C[C@@H]1CN(c2cc(F)cc(F)c2)CC[NH2+]1 ZINC000054348209 132364071 /nfs/dbraw/zinc/36/40/71/132364071.db2.gz PESDXOPBJAMQIS-MRVPVSSYSA-N 1 0 212.243 1.763 10 0 BDAERO Cc1nccc(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC000054937687 132365420 /nfs/dbraw/zinc/36/54/20/132365420.db2.gz NOTYCRGONVEYMG-GXSJLCMTSA-N 1 0 220.320 1.349 10 0 BDAERO COc1ccc(C)cc1N1CC[NH2+][C@H](C)C1 ZINC000055261727 132365711 /nfs/dbraw/zinc/36/57/11/132365711.db2.gz JJWNRHQCLOUSDD-LLVKDONJSA-N 1 0 220.316 1.802 10 0 BDAERO COc1ccnc(N2CCCC[C@@H]2[C@@H](C)[NH3+])n1 ZINC000063196593 132389350 /nfs/dbraw/zinc/38/93/50/132389350.db2.gz DRZDUESXKQXRSU-NXEZZACHSA-N 1 0 236.319 1.191 10 0 BDAERO c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)ncn1 ZINC000063201340 132389587 /nfs/dbraw/zinc/38/95/87/132389587.db2.gz OHRUHBYBQXSXFG-LBPRGKRZSA-N 1 0 232.331 1.445 10 0 BDAERO Cc1cnc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc1 ZINC000235380875 132395350 /nfs/dbraw/zinc/39/53/50/132395350.db2.gz ZIWQUOIZTVJEDJ-MWLCHTKSSA-N 1 0 220.320 1.349 10 0 BDAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1cccnc1 ZINC000083085024 132419281 /nfs/dbraw/zinc/41/92/81/132419281.db2.gz DAPPPOGOEPNHOF-QWRGUYRKSA-N 1 0 205.305 1.658 10 0 BDAERO Cc1cc(C)nc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000227202193 132440184 /nfs/dbraw/zinc/44/01/84/132440184.db2.gz PFTYMFCYEGKRDQ-JOYOIKCWSA-N 1 0 234.347 1.657 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC3(CCCC3)C2)C1 ZINC000157430674 133486496 /nfs/dbraw/zinc/48/64/96/133486496.db2.gz XWLICAJVSMVVLP-VXGBXAGGSA-N 1 0 236.359 1.907 10 0 BDAERO CC[C@H]([NH3+])CNc1nc(C2CC2)ns1 ZINC000083670837 133529349 /nfs/dbraw/zinc/52/93/49/133529349.db2.gz VPIMOKVYIIWQGX-ZETCQYMHSA-N 1 0 212.322 1.565 10 0 BDAERO Cc1nnc(N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000172640855 134266676 /nfs/dbraw/zinc/26/66/76/134266676.db2.gz KCZLSEVHCMICLM-SECBINFHSA-N 1 0 224.333 1.131 10 0 BDAERO Cc1cc(C(=O)N(C)C2C[NH2+]C2)ccc1F ZINC000085257580 134268952 /nfs/dbraw/zinc/26/89/52/134268952.db2.gz CZGDXRSQISEKKH-UHFFFAOYSA-N 1 0 222.263 1.178 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOCCOC ZINC000175788412 134288928 /nfs/dbraw/zinc/28/89/28/134288928.db2.gz MMZAXEKTEMFJRF-CYBMUJFWSA-N 1 0 244.379 1.066 10 0 BDAERO CC[C@H](C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176925666 134294794 /nfs/dbraw/zinc/29/47/94/134294794.db2.gz QLLFQKLZMYEBTM-SDDRHHMPSA-N 1 0 241.379 1.813 10 0 BDAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCCO ZINC000178317547 134308540 /nfs/dbraw/zinc/30/85/40/134308540.db2.gz LXGLNOAMXPZMES-ZDUSSCGKSA-N 1 0 237.347 1.428 10 0 BDAERO C[C@H]1CN(C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000178984593 134313950 /nfs/dbraw/zinc/31/39/50/134313950.db2.gz MMXYCJIIOIICPK-LBPRGKRZSA-N 1 0 238.375 1.724 10 0 BDAERO CCC[C@@H](C(=O)N1CCCO[C@@H](C)C1)[NH+](C)C ZINC000179166479 134318115 /nfs/dbraw/zinc/31/81/15/134318115.db2.gz GPUYEJUWSHFYKV-RYUDHWBXSA-N 1 0 242.363 1.354 10 0 BDAERO c1csc(CN2CCC[N@@H+](C3CC3)CC2)n1 ZINC000179204361 134318614 /nfs/dbraw/zinc/31/86/14/134318614.db2.gz XAPGNYXOEDYLGZ-UHFFFAOYSA-N 1 0 237.372 1.813 10 0 BDAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CCCN(C2CC2)CC1 ZINC000179282577 134319552 /nfs/dbraw/zinc/31/95/52/134319552.db2.gz BXKTUGYWSJFBDC-ZIAGYGMSSA-N 1 0 238.375 1.460 10 0 BDAERO c1ncc(CN2CCC[N@@H+](C3CC3)CC2)cn1 ZINC000179727744 134320421 /nfs/dbraw/zinc/32/04/21/134320421.db2.gz HCTCBTQWBJZEMU-UHFFFAOYSA-N 1 0 232.331 1.147 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222740294 134333975 /nfs/dbraw/zinc/33/39/75/134333975.db2.gz NTHXGKWLTCSAOI-IRCOFANPSA-N 1 0 214.353 1.482 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+]C2(CO)CCC2)C12CCC2 ZINC000182440543 134342108 /nfs/dbraw/zinc/34/21/08/134342108.db2.gz BQCWPXCIYNRVQW-RYUDHWBXSA-N 1 0 239.359 1.839 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000225432293 134353514 /nfs/dbraw/zinc/35/35/14/134353514.db2.gz XAPQUCVELRGAGN-DTWKUNHWSA-N 1 0 241.253 1.147 10 0 BDAERO CCC(O)(CC)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000226014057 134358538 /nfs/dbraw/zinc/35/85/38/134358538.db2.gz ZMGAWVIBKKBBBP-LLVKDONJSA-N 1 0 229.364 1.630 10 0 BDAERO C[C@H](c1cnccn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000184487543 134364808 /nfs/dbraw/zinc/36/48/08/134364808.db2.gz OTWARQZPAVOKOD-GFCCVEGCSA-N 1 0 246.358 1.708 10 0 BDAERO CCOc1cc(NC[C@H]([NH3+])C(C)C)ncn1 ZINC000085482605 134379029 /nfs/dbraw/zinc/37/90/29/134379029.db2.gz MBRBUYCWKAKPTA-VIFPVBQESA-N 1 0 224.308 1.271 10 0 BDAERO CO[C@@H](C[NH3+])C(=O)Nc1ccc2ncccc2c1 ZINC000227381268 134379425 /nfs/dbraw/zinc/37/94/25/134379425.db2.gz IKDPJGVQLYBWMO-LBPRGKRZSA-N 1 0 245.282 1.147 10 0 BDAERO CC(=O)CCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000185454298 134380636 /nfs/dbraw/zinc/38/06/36/134380636.db2.gz PPNZYOQNDVQPNN-LBPRGKRZSA-N 1 0 238.331 1.052 10 0 BDAERO COCCCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227528349 134382591 /nfs/dbraw/zinc/38/25/91/134382591.db2.gz WAFCFDJUUPKDON-KBPBESRZSA-N 1 0 240.391 1.972 10 0 BDAERO Cc1nccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)n1 ZINC000227558880 134383207 /nfs/dbraw/zinc/38/32/07/134383207.db2.gz JDBGNYSOMKFAFC-CMPLNLGQSA-N 1 0 221.304 1.036 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@@]2(C)CCCO2)[C@@H]2CCO[C@H]21 ZINC000227471366 134384085 /nfs/dbraw/zinc/38/40/85/134384085.db2.gz TZKUSFGCAPGQCD-FMCLSXCISA-N 1 0 239.359 1.959 10 0 BDAERO Cc1nsc(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000227737930 134386256 /nfs/dbraw/zinc/38/62/56/134386256.db2.gz XMQLNZDBAKHULV-SECBINFHSA-N 1 0 228.365 1.656 10 0 BDAERO CC[NH+](CC)CCNCc1cncs1 ZINC000054769997 134389051 /nfs/dbraw/zinc/38/90/51/134389051.db2.gz WYXKMOOVOAJZPZ-UHFFFAOYSA-N 1 0 213.350 1.575 10 0 BDAERO Cc1ccoc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000235633807 134596519 /nfs/dbraw/zinc/59/65/19/134596519.db2.gz IHLWUGZKYZENPF-DTWKUNHWSA-N 1 0 208.261 1.007 10 0 BDAERO CCOC(=O)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000134393508 134709600 /nfs/dbraw/zinc/70/96/00/134709600.db2.gz HAGWNUAVLYZRCR-NXEZZACHSA-N 1 0 215.293 1.097 10 0 BDAERO C[C@@H](CNC(=O)[C@H]1CC[C@@H](C)O1)[N@H+](C)C1CC1 ZINC000245977291 134873957 /nfs/dbraw/zinc/87/39/57/134873957.db2.gz GLRQUMPGVMPZLS-HOSYDEDBSA-N 1 0 240.347 1.153 10 0 BDAERO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccccc2)[nH]n1 ZINC000070378867 134916981 /nfs/dbraw/zinc/91/69/81/134916981.db2.gz OZRRAJCSPVXETE-LLVKDONJSA-N 1 0 244.298 1.148 10 0 BDAERO C[C@H]([NH3+])CCNC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000247333503 134979331 /nfs/dbraw/zinc/97/93/31/134979331.db2.gz VMSITGXAQYCMID-OUJBWJOFSA-N 1 0 248.326 1.405 10 0 BDAERO CO[C@@H](C)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000248429487 135008889 /nfs/dbraw/zinc/00/88/89/135008889.db2.gz PQICXJGHYUKAHX-STQMWFEESA-N 1 0 237.347 1.863 10 0 BDAERO CO[C@@H](C)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000248447553 135010911 /nfs/dbraw/zinc/01/09/11/135010911.db2.gz XDRVYJYFKIYJGD-AAEUAGOBSA-N 1 0 237.347 1.691 10 0 BDAERO CC(C)C[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248720494 135019266 /nfs/dbraw/zinc/01/92/66/135019266.db2.gz CHOQZCXZYMXCCJ-OLZOCXBDSA-N 1 0 238.375 1.975 10 0 BDAERO C=Cn1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000248882133 135025019 /nfs/dbraw/zinc/02/50/19/135025019.db2.gz LAQSPAGLJQCJRR-AWEZNQCLSA-N 1 0 246.358 1.654 10 0 BDAERO CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000248969822 135028107 /nfs/dbraw/zinc/02/81/07/135028107.db2.gz CHZNVSYOJFHCMF-UHTWSYAYSA-N 1 0 240.347 1.154 10 0 BDAERO C[C@@H]1CC[C@H](C[NH+]2[C@H](C)COC[C@H]2C)O1 ZINC000248990119 135029135 /nfs/dbraw/zinc/02/91/35/135029135.db2.gz XYGGTAKNZOTWMU-DDHJBXDOSA-N 1 0 213.321 1.663 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](C[C@H]3CCC=CO3)C2)cn1 ZINC000249058394 135032166 /nfs/dbraw/zinc/03/21/66/135032166.db2.gz ZHXVWJROQQHNDF-TZMCWYRMSA-N 1 0 247.342 1.902 10 0 BDAERO Cc1oncc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000249417343 135038915 /nfs/dbraw/zinc/03/89/15/135038915.db2.gz ZQBOXMVHDHOQAW-LBPRGKRZSA-N 1 0 221.304 1.263 10 0 BDAERO C[C@H](O)C[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249551704 135040683 /nfs/dbraw/zinc/04/06/83/135040683.db2.gz LCHCTBYVZAVSEI-ZMLRMANQSA-N 1 0 241.356 1.137 10 0 BDAERO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H]1CCC=CO1 ZINC000249656815 135043558 /nfs/dbraw/zinc/04/35/58/135043558.db2.gz ZSUNUNZUNISIPT-GMDXDWKASA-N 1 0 235.327 1.380 10 0 BDAERO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(F)nc3)[C@H]2C1 ZINC000249789524 135045345 /nfs/dbraw/zinc/04/53/45/135045345.db2.gz DYESJJMGPDEDSN-STQMWFEESA-N 1 0 249.333 1.747 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000250658095 135057212 /nfs/dbraw/zinc/05/72/12/135057212.db2.gz OTLAJPUGMCDFAC-OUAUKWLOSA-N 1 0 215.362 1.633 10 0 BDAERO Cc1nnc(N2CCC[N@@H+](C3CC3)CC2)s1 ZINC000077214062 135059614 /nfs/dbraw/zinc/05/96/14/135059614.db2.gz GWZVWECYFGSMTP-UHFFFAOYSA-N 1 0 238.360 1.521 10 0 BDAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000251044026 135061967 /nfs/dbraw/zinc/06/19/67/135061967.db2.gz WADZHKDKACBKLB-QJPTWQEYSA-N 1 0 240.347 1.012 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@@]2(C)CCCO2)[C@H]2CCO[C@@H]21 ZINC000251194577 135066056 /nfs/dbraw/zinc/06/60/56/135066056.db2.gz TZKUSFGCAPGQCD-NRWUCQMLSA-N 1 0 239.359 1.959 10 0 BDAERO C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)[C@H]1CCCO1 ZINC000251449642 135069734 /nfs/dbraw/zinc/06/97/34/135069734.db2.gz BPCZXSWDYDHSCH-QJPTWQEYSA-N 1 0 240.347 1.202 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000251951887 135081439 /nfs/dbraw/zinc/08/14/39/135081439.db2.gz UOLWPQWETCLQRY-VLEAKVRGSA-N 1 0 212.337 1.393 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CN2CCCC[C@H]2CO1 ZINC000252761982 135107068 /nfs/dbraw/zinc/10/70/68/135107068.db2.gz YOWCJGXHTLYWGU-NWDGAFQWSA-N 1 0 212.337 1.238 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000252786026 135109940 /nfs/dbraw/zinc/10/99/40/135109940.db2.gz PKSOCEOIZZRNPR-WDEREUQCSA-N 1 0 215.337 1.240 10 0 BDAERO C1OCC1[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000087195421 135111057 /nfs/dbraw/zinc/11/10/57/135111057.db2.gz GVBLHBYZSLTOOH-ONGXEEELSA-N 1 0 229.345 1.030 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+]C2COC2)C12CCCC2 ZINC000087194634 135111358 /nfs/dbraw/zinc/11/13/58/135111358.db2.gz SETZRKJUISFCBD-RYUDHWBXSA-N 1 0 225.332 1.713 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+]C2COC2)C12CCC2 ZINC000087195016 135112147 /nfs/dbraw/zinc/11/21/47/135112147.db2.gz DPOVITKBUWLRHD-QWRGUYRKSA-N 1 0 211.305 1.323 10 0 BDAERO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)C1CC1 ZINC000262035635 135114415 /nfs/dbraw/zinc/11/44/15/135114415.db2.gz FPFKCZJBALCTBJ-SCDSUCTJSA-N 1 0 236.359 1.681 10 0 BDAERO Cc1nccc(C[NH2+]C[C@]2(C)CCCO2)n1 ZINC000087234322 135114693 /nfs/dbraw/zinc/11/46/93/135114693.db2.gz INPXNMXPTSISQA-LBPRGKRZSA-N 1 0 221.304 1.444 10 0 BDAERO CC1(C)CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000087253561 135115660 /nfs/dbraw/zinc/11/56/60/135115660.db2.gz LTJZFEHTGQIZTK-UWVGGRQHSA-N 1 0 210.321 1.372 10 0 BDAERO CCC[C@@H](C(=O)OCC)[N@@H+]1CC[C@H](CCO)C1 ZINC000252891791 135116349 /nfs/dbraw/zinc/11/63/49/135116349.db2.gz LUWSEECGNCSODF-NEPJUHHUSA-N 1 0 243.347 1.423 10 0 BDAERO CC1(C)CN(Cc2cccnc2)CC[C@@H]1[NH3+] ZINC000258902520 135135786 /nfs/dbraw/zinc/13/57/86/135135786.db2.gz 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BDAERO C[C@@]1(c2ccc(Br)cn2)C[C@@H]1[NH3+] ZINC000575500346 397967906 /nfs/dbraw/zinc/96/79/06/397967906.db2.gz QPJJQZWRTQVRBD-IONNQARKSA-N 1 0 227.105 1.833 10 0 BDAERO Nc1[nH]cc(-c2cncc(Br)c2)[nH+]1 ZINC000575500352 397968325 /nfs/dbraw/zinc/96/83/25/397968325.db2.gz QVJAULNMBXSMSS-UHFFFAOYSA-N 1 0 239.076 1.647 10 0 BDAERO CC(C)C[C@@H](C[NH3+])Nc1ncnc2c1cnn2C ZINC000111377174 397906045 /nfs/dbraw/zinc/90/60/45/397906045.db2.gz PNCVJAODZBULMD-VIFPVBQESA-N 1 0 248.334 1.149 10 0 BDAERO C[C@H]1CCN1[C@@]1(C[NH3+])CCCSC1 ZINC000575592333 397990643 /nfs/dbraw/zinc/99/06/43/397990643.db2.gz SYUVIKQVJRGTGP-VHSXEESVSA-N 1 0 200.351 1.305 10 0 BDAERO Cc1cn[nH]c1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000336727582 397995823 /nfs/dbraw/zinc/99/58/23/397995823.db2.gz HKCGPZISCULRCH-SNVBAGLBSA-N 1 0 211.309 1.215 10 0 BDAERO C[Si](C)(C)c1cnc(Cl)c2cncn21 ZINC000211604985 398047615 /nfs/dbraw/zinc/04/76/15/398047615.db2.gz LUJSKYFHRSDLBJ-UHFFFAOYSA-N 1 0 225.755 1.928 10 0 BDAERO COCC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414776892 398035835 /nfs/dbraw/zinc/03/58/35/398035835.db2.gz CPCJCSPVISCSCD-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO CC[C@@H]1C[C@]2(CO1)[NH2+]C(C)(C)CS2 ZINC000575509986 397970551 /nfs/dbraw/zinc/97/05/51/397970551.db2.gz SBDAZDWASHFZGT-SCZZXKLOSA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(O)c(Cl)c1 ZINC000043476861 397982603 /nfs/dbraw/zinc/98/26/03/397982603.db2.gz RMPNEFMRZGEJRF-WPRPVWTQSA-N 1 0 215.680 1.816 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1ccsc1Cl ZINC000307142838 397988069 /nfs/dbraw/zinc/98/80/69/397988069.db2.gz FDSTUQWNSHRLAT-SCSAIBSYSA-N 1 0 204.682 1.687 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCC1CC1 ZINC000384487826 398093327 /nfs/dbraw/zinc/09/33/27/398093327.db2.gz RUSCSLNGNYQYKC-JQWIXIFHSA-N 1 0 224.348 1.681 10 0 BDAERO Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)o1 ZINC000384374788 398083817 /nfs/dbraw/zinc/08/38/17/398083817.db2.gz JOQURLAUOGHHRZ-ZYHUDNBSSA-N 1 0 236.315 1.592 10 0 BDAERO CC[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000146702335 398096777 /nfs/dbraw/zinc/09/67/77/398096777.db2.gz ZOGXFZQQONCZRF-UHFFFAOYSA-N 1 0 202.298 1.463 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)[C@H](C)O1 ZINC000384589228 398099007 /nfs/dbraw/zinc/09/90/07/398099007.db2.gz MDPPHQVINUUDON-RHYQMDGZSA-N 1 0 213.321 1.711 10 0 BDAERO CC(C)[C@@H]1C[C@@]2(CO1)[NH2+][C@H](C)CS2 ZINC000575500228 398105125 /nfs/dbraw/zinc/10/51/25/398105125.db2.gz FGZRSVXKLPSNHU-KXUCPTDWSA-N 1 0 201.335 1.853 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246228787 398121050 /nfs/dbraw/zinc/12/10/50/398121050.db2.gz MJOXSKOSCONCHJ-MJBXVCDLSA-N 1 0 240.391 1.685 10 0 BDAERO C[N@@H+]1CCSC[C@H]1[C@@H](O)C1CCCC1 ZINC000234355175 398123991 /nfs/dbraw/zinc/12/39/91/398123991.db2.gz LQPDGXLRCOJFJD-QWRGUYRKSA-N 1 0 215.362 1.585 10 0 BDAERO C[C@@H]1CC[C@H](Nc2ncnc3c2CCCC3)C[NH2+]1 ZINC000630531417 398131769 /nfs/dbraw/zinc/13/17/69/398131769.db2.gz BOALAHNTIXWHCG-MNOVXSKESA-N 1 0 246.358 1.908 10 0 BDAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncnc2c1CCCC2 ZINC000389721793 398129276 /nfs/dbraw/zinc/12/92/76/398129276.db2.gz HBABWPJVZOPMAQ-GWCFXTLKSA-N 1 0 246.358 1.765 10 0 BDAERO CCc1nnc(C[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000195008851 398129412 /nfs/dbraw/zinc/12/94/12/398129412.db2.gz AKJPTTHMTFUGMF-PHIMTYICSA-N 1 0 236.363 1.855 10 0 BDAERO Cc1cc2c(N[C@@H]3CC[C@H](C)[NH2+]C3)nccn2n1 ZINC000630531384 398131975 /nfs/dbraw/zinc/13/19/75/398131975.db2.gz BMNMKKAWIAAGJA-GXSJLCMTSA-N 1 0 245.330 1.012 10 0 BDAERO CC(C)C[NH2+]CCOc1cccc(N)c1 ZINC000041217955 167005244 /nfs/dbraw/zinc/00/52/44/167005244.db2.gz NKVSMJRBGJFGSI-UHFFFAOYSA-N 1 0 208.305 1.893 10 0 BDAERO CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000077391820 173304749 /nfs/dbraw/zinc/30/47/49/173304749.db2.gz HTZFHDNMULVBEG-MRVPVSSYSA-N 1 0 243.104 1.195 10 0 BDAERO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(O)cc1 ZINC000036781579 167061450 /nfs/dbraw/zinc/06/14/50/167061450.db2.gz WRYQAFYSTRRPPD-SNVBAGLBSA-N 1 0 236.315 1.567 10 0 BDAERO CC(C)NC(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037916275 167069755 /nfs/dbraw/zinc/06/97/55/167069755.db2.gz UTXAOKAYGWYKQE-GFCCVEGCSA-N 1 0 239.363 1.568 10 0 BDAERO CC(C)[NH2+]CCNc1ccc(F)cc1C(N)=O ZINC000104241150 167107110 /nfs/dbraw/zinc/10/71/10/167107110.db2.gz TXQMOWKCPDVCNR-UHFFFAOYSA-N 1 0 239.294 1.335 10 0 BDAERO CC(C)[NH2+][C@H](CO)c1cc(F)ccc1F ZINC000038115848 167139449 /nfs/dbraw/zinc/13/94/49/167139449.db2.gz ZSMDPDOUDMQZQX-LLVKDONJSA-N 1 0 215.243 1.996 10 0 BDAERO CC(C)CC1(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000659383384 487557533 /nfs/dbraw/zinc/55/75/33/487557533.db2.gz PWUATLIOAVNHSX-GHMZBOCLSA-N 1 0 224.348 1.537 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]CC[C@H]1CCCO1 ZINC000227889769 487562553 /nfs/dbraw/zinc/56/25/53/487562553.db2.gz RVQYMMPZJGNTNG-CHWSQXEVSA-N 1 0 245.363 1.323 10 0 BDAERO C[C@H](CCC[NH3+])Nc1ncnc2c1CCCC2 ZINC000094948049 487565158 /nfs/dbraw/zinc/56/51/58/487565158.db2.gz VZDBRNVKTGCTPI-SNVBAGLBSA-N 1 0 234.347 1.895 10 0 BDAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094956265 487565564 /nfs/dbraw/zinc/56/55/64/487565564.db2.gz BHPHARNZULCOEB-ZJUUUORDSA-N 1 0 238.306 1.919 10 0 BDAERO CCCn1nccc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000324274819 487567700 /nfs/dbraw/zinc/56/77/00/487567700.db2.gz MLWSMISJJFIVKO-LBPRGKRZSA-N 1 0 239.363 1.790 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000324295916 487570375 /nfs/dbraw/zinc/57/03/75/487570375.db2.gz BQCREZQTJWRKOY-IONNQARKSA-N 1 0 243.269 1.296 10 0 BDAERO CC(C)OCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193534875 167201682 /nfs/dbraw/zinc/20/16/82/167201682.db2.gz FSASNXVCBAWDKL-QWRGUYRKSA-N 1 0 228.336 1.058 10 0 BDAERO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH+](C)C ZINC000148438203 322921484 /nfs/dbraw/zinc/92/14/84/322921484.db2.gz MBFVKSDHAZSASS-VHSXEESVSA-N 1 0 228.336 1.803 10 0 BDAERO CC(C)S(=O)(=O)Nc1ccc(C[NH3+])cc1 ZINC000037657160 167319473 /nfs/dbraw/zinc/31/94/73/167319473.db2.gz YCJSLBQAAUIVMM-UHFFFAOYSA-N 1 0 228.317 1.295 10 0 BDAERO CC(C)S(=O)(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000037657492 167319672 /nfs/dbraw/zinc/31/96/72/167319672.db2.gz ZMZXARJBJQLNQX-VIFPVBQESA-N 1 0 242.344 1.856 10 0 BDAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000309761531 487609427 /nfs/dbraw/zinc/60/94/27/487609427.db2.gz MRCVXUOLSQCCPI-RVMXOQNASA-N 1 0 227.348 1.240 10 0 BDAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000309761537 487609567 /nfs/dbraw/zinc/60/95/67/487609567.db2.gz MRCVXUOLSQCCPI-UMSGYPCISA-N 1 0 227.348 1.240 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662441794 409721217 /nfs/dbraw/zinc/72/12/17/409721217.db2.gz MNEXDGRXSWRKMY-IONNQARKSA-N 1 0 236.340 1.532 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCS[C@H]1C ZINC000308506221 409766531 /nfs/dbraw/zinc/76/65/31/409766531.db2.gz FNMOTMZDBASBBH-XHNCKOQMSA-N 1 0 216.350 1.124 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662627324 409798680 /nfs/dbraw/zinc/79/86/80/409798680.db2.gz QHVAMPQWXDTWID-LPEHRKFASA-N 1 0 216.300 1.239 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](Nc2cc[nH]n2)CC1 ZINC000616666521 409880155 /nfs/dbraw/zinc/88/01/55/409880155.db2.gz WMCFTTXRGVKORS-LLVKDONJSA-N 1 0 224.308 1.278 10 0 BDAERO C[C@H](CCn1cc(C[NH3+])nn1)c1ccccc1 ZINC000409422733 409995885 /nfs/dbraw/zinc/99/58/85/409995885.db2.gz HTNLCDQSPPKPNC-LLVKDONJSA-N 1 0 230.315 1.931 10 0 BDAERO CN(C(=O)c1ccccc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662974819 410002327 /nfs/dbraw/zinc/00/23/27/410002327.db2.gz ARZLSIASEJJXPK-VIFPVBQESA-N 1 0 246.232 1.648 10 0 BDAERO CC(C)(C)CCCNC(=O)C1([NH3+])CCOCC1 ZINC000313471717 410068402 /nfs/dbraw/zinc/06/84/02/410068402.db2.gz QJFXMYSCVYMHOX-UHFFFAOYSA-N 1 0 242.363 1.437 10 0 BDAERO Brc1ccc(NC2=[NH+]CCN2)cc1 ZINC000138113583 166098587 /nfs/dbraw/zinc/09/85/87/166098587.db2.gz MPWTWQFOWHREDW-UHFFFAOYSA-N 1 0 240.104 1.820 10 0 BDAERO Brc1ccc([C@H]2CC[NH2+]C2)nc1 ZINC000083323825 166100105 /nfs/dbraw/zinc/10/01/05/166100105.db2.gz OYPHFHWCDFUATD-ZETCQYMHSA-N 1 0 227.105 1.921 10 0 BDAERO Brc1cccnc1OC1C[NH2+]C1 ZINC000062810097 166103099 /nfs/dbraw/zinc/10/30/99/166103099.db2.gz YNODYBUCGIXXOR-UHFFFAOYSA-N 1 0 229.077 1.195 10 0 BDAERO COc1cccnc1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000128324907 410249635 /nfs/dbraw/zinc/24/96/35/410249635.db2.gz JBPQFZCJCBLZGX-WDEREUQCSA-N 1 0 235.331 1.890 10 0 BDAERO Brc1cnn(C[C@@H]2CC[NH2+]C2)c1 ZINC000051890422 166106125 /nfs/dbraw/zinc/10/61/25/166106125.db2.gz KPOZXCHKFFFNBW-SSDOTTSWSA-N 1 0 230.109 1.255 10 0 BDAERO Brc1cnn(C[C@@H]2CCC[NH2+]2)c1 ZINC000043496143 166106729 /nfs/dbraw/zinc/10/67/29/166106729.db2.gz DWGNYWPLHBOTBH-QMMMGPOBSA-N 1 0 230.109 1.398 10 0 BDAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311200172 487614934 /nfs/dbraw/zinc/61/49/34/487614934.db2.gz HFYUGECMIFARNB-RVOPOGNISA-N 1 0 248.370 1.491 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)cn1 ZINC000335598204 410451258 /nfs/dbraw/zinc/45/12/58/410451258.db2.gz VMGOBUOBRIUKAB-PWSUYJOCSA-N 1 0 233.315 1.717 10 0 BDAERO CCN(CC)C(=O)C[C@H](C[NH3+])c1ccncc1 ZINC000076618217 169751150 /nfs/dbraw/zinc/75/11/50/169751150.db2.gz AEDSZOKAWMVDJB-GFCCVEGCSA-N 1 0 235.331 1.382 10 0 BDAERO CC(C)(C)CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055089445 166586666 /nfs/dbraw/zinc/58/66/66/166586666.db2.gz KBJHJPNFBYMEIC-UWVGGRQHSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)(C)C[C@@H](C[NH3+])N1CCOCC1 ZINC000061839634 166594699 /nfs/dbraw/zinc/59/46/99/166594699.db2.gz ZABDTCCKLBCCCB-JTQLQIEISA-N 1 0 200.326 1.082 10 0 BDAERO CC(C)C(=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000036262251 166712309 /nfs/dbraw/zinc/71/23/09/166712309.db2.gz DPSSYBZLTGISNX-OUAUKWLOSA-N 1 0 210.321 1.228 10 0 BDAERO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)COC ZINC000395705782 410861181 /nfs/dbraw/zinc/86/11/81/410861181.db2.gz HLXUUIXDQDRDBN-UWVGGRQHSA-N 1 0 230.352 1.162 10 0 BDAERO CCc1ncnc(NCCC2(C[NH3+])CC2)c1F ZINC000395939375 410865681 /nfs/dbraw/zinc/86/56/81/410865681.db2.gz IYGJPVKADMIJOA-UHFFFAOYSA-N 1 0 238.310 1.141 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000054597851 167006076 /nfs/dbraw/zinc/00/60/76/167006076.db2.gz UJBGUXZUWLXRAH-JQWIXIFHSA-N 1 0 207.321 1.769 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275662356 167007124 /nfs/dbraw/zinc/00/71/24/167007124.db2.gz VDNOVSYSGNATHT-NSHDSACASA-N 1 0 207.321 1.691 10 0 BDAERO CC(C)C[NH2+]Cc1nnnn1-c1cccc(F)c1 ZINC000054744165 167009846 /nfs/dbraw/zinc/00/98/46/167009846.db2.gz QBXQHZHPQWQNMG-UHFFFAOYSA-N 1 0 249.293 1.547 10 0 BDAERO CC(C)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000309086344 167011549 /nfs/dbraw/zinc/01/15/49/167011549.db2.gz YCFKSLROFDRRRK-PWSUYJOCSA-N 1 0 210.321 1.289 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ncccn2)C1 ZINC000129775661 167031391 /nfs/dbraw/zinc/03/13/91/167031391.db2.gz UPEFYRSUPBTXQD-MNOVXSKESA-N 1 0 220.320 1.617 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C(=O)[O-])C2(C1)CC[NH+](C)CC2 ZINC000008698676 167032811 /nfs/dbraw/zinc/03/28/11/167032811.db2.gz RKILODZPRNVTEJ-LLVKDONJSA-N 1 0 240.347 1.123 10 0 BDAERO CC(C)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(N)c1 ZINC000042601216 167049987 /nfs/dbraw/zinc/04/99/87/167049987.db2.gz ZMTAQDZRQCETKU-NSHDSACASA-N 1 0 249.358 1.786 10 0 BDAERO CC(C)NC(=O)C[NH2+]CCc1ccccc1 ZINC000020050629 167058659 /nfs/dbraw/zinc/05/86/59/167058659.db2.gz YBAMUJGPBMODPC-UHFFFAOYSA-N 1 0 220.316 1.343 10 0 BDAERO CC(C)NC(=O)COc1ccccc1[C@@H](C)[NH3+] ZINC000022212460 167063068 /nfs/dbraw/zinc/06/30/68/167063068.db2.gz UVGKRWLUBORXKC-SNVBAGLBSA-N 1 0 236.315 1.610 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1csc(C)n1 ZINC000041011362 410901445 /nfs/dbraw/zinc/90/14/45/410901445.db2.gz REGLEYQIUHJOCB-SECBINFHSA-N 1 0 227.333 1.195 10 0 BDAERO CC(C)NC(=O)c1cccc(OCCC[NH3+])c1 ZINC000020229073 167088169 /nfs/dbraw/zinc/08/81/69/167088169.db2.gz OTQLLVYPEACXBX-UHFFFAOYSA-N 1 0 236.315 1.552 10 0 BDAERO CC(C)[NH2+]CC(=O)Nc1ccc2c[nH]nc2c1 ZINC000037610276 167096938 /nfs/dbraw/zinc/09/69/38/167096938.db2.gz VOSBTQDBQRZUDV-UHFFFAOYSA-N 1 0 232.287 1.499 10 0 BDAERO CC(C)[NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000037815453 167097568 /nfs/dbraw/zinc/09/75/68/167097568.db2.gz ZYJMDLHORAZKKM-NEPJUHHUSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000038010084 167098179 /nfs/dbraw/zinc/09/81/79/167098179.db2.gz HNAUMOJQAHGUDW-LBPRGKRZSA-N 1 0 248.326 1.104 10 0 BDAERO CC(C)[NH2+]CC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819585 167098332 /nfs/dbraw/zinc/09/83/32/167098332.db2.gz NTRSDDVUVBCUAO-LBPRGKRZSA-N 1 0 235.331 1.676 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000037633292 167103040 /nfs/dbraw/zinc/10/30/40/167103040.db2.gz FAHKFOKVRDWNOG-RYUDHWBXSA-N 1 0 242.363 1.448 10 0 BDAERO CC(C)[NH2+]CCN(C)Cc1cn2ccccc2n1 ZINC000042691138 167104094 /nfs/dbraw/zinc/10/40/94/167104094.db2.gz IVHQEKWARZJIMH-UHFFFAOYSA-N 1 0 246.358 1.764 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@H]([C@H]2CCOC2)C1 ZINC000309641637 167106519 /nfs/dbraw/zinc/10/65/19/167106519.db2.gz UTBBOGKLZNWTOU-STQMWFEESA-N 1 0 226.364 1.343 10 0 BDAERO CC(C)[NH2+]CCOCC(=O)Nc1ccccc1 ZINC000051862905 167108278 /nfs/dbraw/zinc/10/82/78/167108278.db2.gz CJCSOHLVWKJDLR-UHFFFAOYSA-N 1 0 236.315 1.640 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000309676647 167112794 /nfs/dbraw/zinc/11/27/94/167112794.db2.gz LXRPJUVZDHINDX-QWHCGFSZSA-N 1 0 226.364 1.485 10 0 BDAERO CC(C)[NH2+][C@@H](C(N)=O)c1cccc(F)c1 ZINC000037869309 167130379 /nfs/dbraw/zinc/13/03/79/167130379.db2.gz JZFSQCWQSZMCBK-SNVBAGLBSA-N 1 0 210.252 1.350 10 0 BDAERO CC(C)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000021046559 167130998 /nfs/dbraw/zinc/13/09/98/167130998.db2.gz PMBIRWXXTKYZMB-VIFPVBQESA-N 1 0 242.344 1.393 10 0 BDAERO CC(C)[NH2+][C@@H]1CCCC[C@@H]1CN1CCOCC1 ZINC000026443106 167134866 /nfs/dbraw/zinc/13/48/66/167134866.db2.gz STGFCDLAXCCJKK-ZIAGYGMSSA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)OCCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236788280 167197366 /nfs/dbraw/zinc/19/73/66/167197366.db2.gz VJEUWFYGGHZVRB-FOSCPWQOSA-N 1 0 240.347 1.201 10 0 BDAERO CC(C)OCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000236791524 167200878 /nfs/dbraw/zinc/20/08/78/167200878.db2.gz ODYCVWXHFXJABA-QWRGUYRKSA-N 1 0 228.336 1.045 10 0 BDAERO CC(C)OCCn1nc(C[NH3+])c2ccccc21 ZINC000080052034 167253687 /nfs/dbraw/zinc/25/36/87/167253687.db2.gz IUENXCUTAUXVPZ-UHFFFAOYSA-N 1 0 233.315 1.920 10 0 BDAERO CC(C)Oc1ccc(SC[C@@H](O)C[NH3+])cc1 ZINC000019686847 167298586 /nfs/dbraw/zinc/29/85/86/167298586.db2.gz FMVNPJUYDMQDTA-JTQLQIEISA-N 1 0 241.356 1.886 10 0 BDAERO CC(C)Oc1ccccc1N(C)C[C@@H](O)C[NH3+] ZINC000077384006 167311496 /nfs/dbraw/zinc/31/14/96/167311496.db2.gz NFJNQBXVFALCGY-NSHDSACASA-N 1 0 238.331 1.230 10 0 BDAERO CC(C)Oc1c[nH+]cc(OC2CC2)c1N ZINC000095723668 167312845 /nfs/dbraw/zinc/31/28/45/167312845.db2.gz UKIBTANNOOXTPI-UHFFFAOYSA-N 1 0 208.261 1.992 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000137383469 167359065 /nfs/dbraw/zinc/35/90/65/167359065.db2.gz JFFBXXNXWXECRW-ONGXEEELSA-N 1 0 212.337 1.522 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290893 167364666 /nfs/dbraw/zinc/36/46/66/167364666.db2.gz LWBMULNRTYCKGR-VXGBXAGGSA-N 1 0 226.364 1.879 10 0 BDAERO CC(C)[C@@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC000336696747 167383331 /nfs/dbraw/zinc/38/33/31/167383331.db2.gz YYALFNUOKROXSX-SNVBAGLBSA-N 1 0 218.304 1.863 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000398098472 410942218 /nfs/dbraw/zinc/94/22/18/410942218.db2.gz VXFBJHIDECHRER-JHJVBQTASA-N 1 0 245.363 1.321 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C(C)C)C1CC1 ZINC000309312896 410922099 /nfs/dbraw/zinc/92/20/99/410922099.db2.gz XSJRKLCVUSRTRZ-NSHDSACASA-N 1 0 212.337 1.759 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1C[C@@H](C)O[C@H](C)C1 ZINC000037115953 167421469 /nfs/dbraw/zinc/42/14/69/167421469.db2.gz RJIKSUQLRVKBAC-MXWKQRLJSA-N 1 0 200.326 1.079 10 0 BDAERO CC(C)[C@@H]([NH3+])c1ccc2c(c1)oc(=O)n2C ZINC000051361974 167422846 /nfs/dbraw/zinc/42/28/46/167422846.db2.gz CGJQQAZQBUZRRS-LLVKDONJSA-N 1 0 220.272 1.787 10 0 BDAERO Cc1cnc([C@@H](C)[NH2+]CCCc2cncn2C)o1 ZINC000314761815 411054684 /nfs/dbraw/zinc/05/46/84/411054684.db2.gz SCVCQPXYMMWMJP-LLVKDONJSA-N 1 0 248.330 2.000 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000302407135 411137104 /nfs/dbraw/zinc/13/71/04/411137104.db2.gz KLLNMIVZWOWJGP-VXGBXAGGSA-N 1 0 244.379 1.110 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000302407133 411137259 /nfs/dbraw/zinc/13/72/59/411137259.db2.gz KLLNMIVZWOWJGP-RYUDHWBXSA-N 1 0 244.379 1.110 10 0 BDAERO CC(C)c1ccn(-c2ncccc2C[NH3+])n1 ZINC000052884134 167645398 /nfs/dbraw/zinc/64/53/98/167645398.db2.gz NVRLZCIYGJXJPX-UHFFFAOYSA-N 1 0 216.288 1.849 10 0 BDAERO CC(C)CCN(C)C(=O)C1(C[NH3+])CCOCC1 ZINC000044763316 411139785 /nfs/dbraw/zinc/13/97/85/411139785.db2.gz GQOCXKWEVIGQKG-UHFFFAOYSA-N 1 0 242.363 1.246 10 0 BDAERO C[C@@H]([NH3+])CNc1ccnc(C(F)(F)F)c1 ZINC000212242662 411144861 /nfs/dbraw/zinc/14/48/61/411144861.db2.gz JOVFJPLQJIZUAZ-ZCFIWIBFSA-N 1 0 219.210 1.860 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000659998798 411164028 /nfs/dbraw/zinc/16/40/28/411164028.db2.gz TUYDDOXIEYPHCM-UTUOFQBUSA-N 1 0 211.305 1.012 10 0 BDAERO CC(C)c1nc(CO[C@@H]2CCC[NH2+]C2)no1 ZINC000051787547 167665895 /nfs/dbraw/zinc/66/58/95/167665895.db2.gz WAXBISXGCPXLPM-SECBINFHSA-N 1 0 225.292 1.462 10 0 BDAERO c1cc2c(ccnc2N2CCCCN2)o1 ZINC000400663111 411159109 /nfs/dbraw/zinc/15/91/09/411159109.db2.gz PSDZRMNFATYXLB-UHFFFAOYSA-N 1 0 203.245 1.933 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CC1CCSCC1 ZINC000309333508 411102072 /nfs/dbraw/zinc/10/20/72/411102072.db2.gz SZOMSJKWGMJKBV-KOLCDFICSA-N 1 0 242.388 1.468 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)o1 ZINC000300713500 411125429 /nfs/dbraw/zinc/12/54/29/411125429.db2.gz XXLHPKSZNJNNIO-GUBZILKMSA-N 1 0 237.303 1.288 10 0 BDAERO CN1CC[NH+](Cc2cccc3c2CCN3)CC1 ZINC000216045980 411173588 /nfs/dbraw/zinc/17/35/88/411173588.db2.gz ABZBUWYXTJHJKI-UHFFFAOYSA-N 1 0 231.343 1.402 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cnn(C(C)C)c1 ZINC000061683537 411176526 /nfs/dbraw/zinc/17/65/26/411176526.db2.gz HCRUQZSUZXMIRS-MWLCHTKSSA-N 1 0 238.335 1.776 10 0 BDAERO CO[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000309792676 411248168 /nfs/dbraw/zinc/24/81/68/411248168.db2.gz USWIVLMSDKQTOH-YNEHKIRRSA-N 1 0 227.348 1.648 10 0 BDAERO OCC1CC([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000658353506 411244054 /nfs/dbraw/zinc/24/40/54/411244054.db2.gz NJIIDCCDHRCRHW-LDUAJXOISA-N 1 0 209.333 1.926 10 0 BDAERO CO[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000309792669 411248274 /nfs/dbraw/zinc/24/82/74/411248274.db2.gz USWIVLMSDKQTOH-JHJVBQTASA-N 1 0 227.348 1.648 10 0 BDAERO Cc1nc2ccc(N3CC[NH2+]CC3)cc2o1 ZINC000049816362 411245943 /nfs/dbraw/zinc/24/59/43/411245943.db2.gz HNXUQRBRBVCMMH-UHFFFAOYSA-N 1 0 217.272 1.546 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)c1cccnc1 ZINC000129077966 411218036 /nfs/dbraw/zinc/21/80/36/411218036.db2.gz KBGOPNHRCKDFSL-NSHDSACASA-N 1 0 221.304 1.418 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCNC1=O)c1cccc(F)c1 ZINC000658053645 411220744 /nfs/dbraw/zinc/22/07/44/411220744.db2.gz XWIHYWWQITYIBL-VXGBXAGGSA-N 1 0 236.290 1.755 10 0 BDAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCNC2=O)s1 ZINC000658054234 411224465 /nfs/dbraw/zinc/22/44/65/411224465.db2.gz OZLILBXOHJRIMG-PSASIEDQSA-N 1 0 238.356 1.850 10 0 BDAERO C[C@@H]1CCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000070834215 411227318 /nfs/dbraw/zinc/22/73/18/411227318.db2.gz LPPPUISAACJQOK-YYJSSNLHSA-N 1 0 224.348 1.809 10 0 BDAERO COC[C@H](NC(=O)C[C@H]([NH3+])C(C)C)C(C)C ZINC000129102988 411229837 /nfs/dbraw/zinc/22/98/37/411229837.db2.gz MOPIBQXMDFHFGU-QWRGUYRKSA-N 1 0 230.352 1.147 10 0 BDAERO COC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C(C)C ZINC000129103389 411229847 /nfs/dbraw/zinc/22/98/47/411229847.db2.gz MOPIBQXMDFHFGU-WDEREUQCSA-N 1 0 230.352 1.147 10 0 BDAERO Cc1cc(NC(=O)C[C@H]([NH3+])C(C)C)ccn1 ZINC000129127105 411231503 /nfs/dbraw/zinc/23/15/03/411231503.db2.gz UWGOSYZEYINUCQ-NSHDSACASA-N 1 0 221.304 1.702 10 0 BDAERO CCc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)n[nH]1 ZINC000129131817 411232004 /nfs/dbraw/zinc/23/20/04/411232004.db2.gz XCTPKBCJISUAQF-YUMQZZPRSA-N 1 0 222.292 1.038 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@]1(C)CCCS1 ZINC000129146270 411232948 /nfs/dbraw/zinc/23/29/48/411232948.db2.gz OPHLLKOWNOHDKD-JQWIXIFHSA-N 1 0 244.404 1.762 10 0 BDAERO CCN(CC)c1nnc(SCC[NH3+])s1 ZINC000057521179 169806500 /nfs/dbraw/zinc/80/65/00/169806500.db2.gz SRRUBKBDASUADS-UHFFFAOYSA-N 1 0 232.378 1.435 10 0 BDAERO Cc1cc2c(N(C)CC(C)(C)[NH3+])nccn2n1 ZINC000656608367 411307742 /nfs/dbraw/zinc/30/77/42/411307742.db2.gz CLSBJWVMHIBCFV-UHFFFAOYSA-N 1 0 233.319 1.211 10 0 BDAERO Cc1nc(N(C)CC(C)(C)[NH3+])sc1C ZINC000656609367 411307920 /nfs/dbraw/zinc/30/79/20/411307920.db2.gz ZBNPTFKEWLLHDM-UHFFFAOYSA-N 1 0 213.350 1.933 10 0 BDAERO CN1C[C@@H](C[NH2+][C@@H]2CCC2(C)C)CC1=O ZINC000658239719 411308156 /nfs/dbraw/zinc/30/81/56/411308156.db2.gz NBXWHYAPKHMXMH-NXEZZACHSA-N 1 0 210.321 1.243 10 0 BDAERO CCc1nsc(NCC2([NH3+])CCCC2)n1 ZINC000656610183 411308584 /nfs/dbraw/zinc/30/85/84/411308584.db2.gz DSPQGVXJXFFPRG-UHFFFAOYSA-N 1 0 226.349 1.784 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CCCC1 ZINC000658245286 411309971 /nfs/dbraw/zinc/30/99/71/411309971.db2.gz WSJHLNQIUQQTCO-QWRGUYRKSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C(C)(C)C ZINC000658242808 411310068 /nfs/dbraw/zinc/31/00/68/411310068.db2.gz KVZDXWAPLABNJX-NXEZZACHSA-N 1 0 212.337 1.489 10 0 BDAERO CCN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000402724636 411310121 /nfs/dbraw/zinc/31/01/21/411310121.db2.gz YRVGTJWSJASLTE-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO COc1cc(C)nc(NCC2([NH3+])CCCC2)n1 ZINC000656611055 411310109 /nfs/dbraw/zinc/31/01/09/411310109.db2.gz ZQIBLDWRLSHFKF-UHFFFAOYSA-N 1 0 236.319 1.477 10 0 BDAERO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658243898 411310290 /nfs/dbraw/zinc/31/02/90/411310290.db2.gz PKIBORVIOOHCSA-UTUOFQBUSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658246418 411311407 /nfs/dbraw/zinc/31/14/07/411311407.db2.gz ZGLJSSISQBAKHX-WOPDTQHZSA-N 1 0 224.348 1.633 10 0 BDAERO Nc1c[nH+]cc(Cl)c1NC1CSC1 ZINC000575468337 411312620 /nfs/dbraw/zinc/31/26/20/411312620.db2.gz FAOJCKVCDMOSDH-UHFFFAOYSA-N 1 0 215.709 1.266 10 0 BDAERO CC1(C)[C@H]([NH2+]Cc2ncccn2)[C@H]2CCO[C@@H]21 ZINC000658278309 411319418 /nfs/dbraw/zinc/31/94/18/411319418.db2.gz CVGHYUVWNRDDEE-JLLWLGSASA-N 1 0 233.315 1.380 10 0 BDAERO CC1(C)[C@H]([NH2+]Cc2ncccn2)[C@@H]2CCO[C@H]21 ZINC000658278310 411319795 /nfs/dbraw/zinc/31/97/95/411319795.db2.gz CVGHYUVWNRDDEE-MVWJERBFSA-N 1 0 233.315 1.380 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402957253 411323712 /nfs/dbraw/zinc/32/37/12/411323712.db2.gz STMQQXINWCTDAO-FVCCEPFGSA-N 1 0 234.343 1.314 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccnc1 ZINC000128854777 411253303 /nfs/dbraw/zinc/25/33/03/411253303.db2.gz LCKWKRRMIYYBGD-SNVBAGLBSA-N 1 0 207.277 1.394 10 0 BDAERO CO[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)C1CCC1 ZINC000660262713 411349976 /nfs/dbraw/zinc/34/99/76/411349976.db2.gz GPVDYNZZXIIWJG-RAIGVLPGSA-N 1 0 227.348 1.959 10 0 BDAERO C[C@@]([NH3+])(C(=O)NC1(C)CCCCC1)C1CC1 ZINC000045046948 168059866 /nfs/dbraw/zinc/05/98/66/168059866.db2.gz LLDCXNTYDRNDCF-ZDUSSCGKSA-N 1 0 224.348 1.953 10 0 BDAERO CC1(NC(=O)[C@H]2CCCC[NH2+]2)CCCC1 ZINC000042187954 168060396 /nfs/dbraw/zinc/06/03/96/168060396.db2.gz SKCRHWDOJVNBGA-SNVBAGLBSA-N 1 0 210.321 1.577 10 0 BDAERO CC1([NH2+][C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000042177125 168063919 /nfs/dbraw/zinc/06/39/19/168063919.db2.gz YDRAWLKHAIQSJP-VIFPVBQESA-N 1 0 217.334 1.096 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000659361918 411377686 /nfs/dbraw/zinc/37/76/86/411377686.db2.gz SGFJPUOXUGGJBD-VPOLOUISSA-N 1 0 210.321 1.147 10 0 BDAERO C[C@]1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1(F)F ZINC000659362415 411377740 /nfs/dbraw/zinc/37/77/40/411377740.db2.gz PHMSCKNGUJWDBE-IQJOONFLSA-N 1 0 246.301 1.523 10 0 BDAERO C[C@@H](CCC[NH3+])C(=O)N1CCC(C)CC1 ZINC000076585628 168175261 /nfs/dbraw/zinc/17/52/61/168175261.db2.gz ZYRJGJXLUNALIP-NSHDSACASA-N 1 0 212.337 1.620 10 0 BDAERO CC1CCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000037478676 168175843 /nfs/dbraw/zinc/17/58/43/168175843.db2.gz KWRZLOIJYSZZDJ-GFCCVEGCSA-N 1 0 210.321 1.372 10 0 BDAERO CC1CC[NH+](C2(CN)CCSCC2)CC1 ZINC000042334888 168177907 /nfs/dbraw/zinc/17/79/07/168177907.db2.gz UEWUNWRLLXUMGY-UHFFFAOYSA-N 1 0 228.405 1.943 10 0 BDAERO CCC(=O)N(CCC[NH3+])c1cccc(OC)c1 ZINC000020233625 168213620 /nfs/dbraw/zinc/21/36/20/168213620.db2.gz JHTUQSHISMCCTC-UHFFFAOYSA-N 1 0 236.315 1.787 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC2(CC2)C1 ZINC000659304426 411391825 /nfs/dbraw/zinc/39/18/25/411391825.db2.gz MKRCNPJRHAKBDQ-VXGBXAGGSA-N 1 0 236.359 1.683 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](CO)CC(C)C ZINC000049281848 168290737 /nfs/dbraw/zinc/29/07/37/168290737.db2.gz ZSXJDJRLANWURO-LLVKDONJSA-N 1 0 244.379 1.288 10 0 BDAERO CCC(C)(C)[NH2+]CC(=O)NC1CCCC1 ZINC000020036112 168297431 /nfs/dbraw/zinc/29/74/31/168297431.db2.gz WZBBXHQYCALVML-UHFFFAOYSA-N 1 0 212.337 1.823 10 0 BDAERO C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@H]1CCCO1 ZINC000657308788 411458154 /nfs/dbraw/zinc/45/81/54/411458154.db2.gz BTOSEFMMKOWZOW-ZYHUDNBSSA-N 1 0 235.331 1.486 10 0 BDAERO C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@H]1CCCO1 ZINC000657308782 411458440 /nfs/dbraw/zinc/45/84/40/411458440.db2.gz BTOSEFMMKOWZOW-CMPLNLGQSA-N 1 0 235.331 1.486 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[C@@H]2CCCO2)C1 ZINC000126807889 411459337 /nfs/dbraw/zinc/45/93/37/411459337.db2.gz ZVRWVNBVTLEHER-GRYCIOLGSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1CCC2(CC2)CC1 ZINC000659316050 411393157 /nfs/dbraw/zinc/39/31/57/411393157.db2.gz ZLSHBZVSFNTIIJ-CMPLNLGQSA-N 1 0 236.359 1.905 10 0 BDAERO COCC1(N(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000659337866 411397194 /nfs/dbraw/zinc/39/71/94/411397194.db2.gz NFTZGVJCGVOHOU-MNOVXSKESA-N 1 0 240.347 1.141 10 0 BDAERO Cn1c2ccccc2[nH]c1=NCCC1(C[NH3+])CC1 ZINC000404543752 411400849 /nfs/dbraw/zinc/40/08/49/411400849.db2.gz ABHCKJAFPYRNDC-UHFFFAOYSA-N 1 0 244.342 1.536 10 0 BDAERO CC1(C)C[C@@]1(C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000659380167 411407304 /nfs/dbraw/zinc/40/73/04/411407304.db2.gz YPKNIRNPKAOQBD-GXFFZTMASA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)CC1(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000659381089 411407567 /nfs/dbraw/zinc/40/75/67/411407567.db2.gz CXMVBWMBSWLJRF-NSHDSACASA-N 1 0 224.348 1.681 10 0 BDAERO O=C(C1CCC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186540633 411409887 /nfs/dbraw/zinc/40/98/87/411409887.db2.gz YBOOTPJNJGCJJV-NSHDSACASA-N 1 0 222.332 1.530 10 0 BDAERO O=C(C1CCC1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186540654 411410322 /nfs/dbraw/zinc/41/03/22/411410322.db2.gz YBOOTPJNJGCJJV-LLVKDONJSA-N 1 0 222.332 1.530 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCCC(F)(F)C2)C1 ZINC000405096769 411416639 /nfs/dbraw/zinc/41/66/39/411416639.db2.gz ZPTPAAMLUFCCGQ-ZJUUUORDSA-N 1 0 246.301 1.762 10 0 BDAERO CC[C@@H]1CN(Cc2cnn(C)c2C)CC[C@@H]1[NH3+] ZINC000122375492 411431843 /nfs/dbraw/zinc/43/18/43/411431843.db2.gz GVGMREXICPWOLX-YPMHNXCESA-N 1 0 236.363 1.288 10 0 BDAERO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cn1 ZINC000405711878 411439672 /nfs/dbraw/zinc/43/96/72/411439672.db2.gz OVAUZMVVQMPBHS-SOUVJXGZSA-N 1 0 246.354 1.983 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000300359715 411489715 /nfs/dbraw/zinc/48/97/15/411489715.db2.gz QSTYUXDQZOUCRE-KXNHARMFSA-N 1 0 224.348 1.666 10 0 BDAERO C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000659900536 411490704 /nfs/dbraw/zinc/49/07/04/411490704.db2.gz JNCYKQWTKRJKAT-CRWXNKLISA-N 1 0 220.360 1.813 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC)C2)CO1 ZINC000657324518 411464942 /nfs/dbraw/zinc/46/49/42/411464942.db2.gz CFYCEUBLATVPTF-FRRDWIJNSA-N 1 0 226.364 1.628 10 0 BDAERO CC[N@@H+]1CCN[C@H](c2ccccc2C)C1 ZINC000056894856 170000267 /nfs/dbraw/zinc/00/02/67/170000267.db2.gz WJGQXEDWHZUMFG-ZDUSSCGKSA-N 1 0 204.317 1.961 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062569186 170000689 /nfs/dbraw/zinc/00/06/89/170000689.db2.gz HZNZHABUAGBYFX-ZDUSSCGKSA-N 1 0 204.317 1.523 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CO1 ZINC000657327062 411466136 /nfs/dbraw/zinc/46/61/36/411466136.db2.gz UIYRSWCOABUQGE-NOOOWODRSA-N 1 0 213.321 1.447 10 0 BDAERO CC[N@@H+]1CC[C@H]2[C@@H](CCC[C@@H]2C(=O)OC)C1 ZINC000100325788 170013986 /nfs/dbraw/zinc/01/39/86/170013986.db2.gz ULPTVDUQBTYMEY-SRVKXCTJSA-N 1 0 225.332 1.918 10 0 BDAERO CC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190691453 170014154 /nfs/dbraw/zinc/01/41/54/170014154.db2.gz PWTPSPQVCAYQBY-CQSZACIVSA-N 1 0 233.359 1.855 10 0 BDAERO CC[N@@H+]1CC[C@H](N2CCOCC2)C[C@@H]1C ZINC000073655784 170019392 /nfs/dbraw/zinc/01/93/92/170019392.db2.gz URLJAAPZDLRSOA-RYUDHWBXSA-N 1 0 212.337 1.191 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)CCOC)C1 ZINC000328143536 170022818 /nfs/dbraw/zinc/02/28/18/170022818.db2.gz BQHMZBXOKAXUOB-QWRGUYRKSA-N 1 0 200.326 1.095 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000336779875 170029181 /nfs/dbraw/zinc/02/91/81/170029181.db2.gz PQZAEZOLEJRCFM-YPMHNXCESA-N 1 0 224.348 1.263 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000309965421 170039349 /nfs/dbraw/zinc/03/93/49/170039349.db2.gz NFZKDXGVRUEQBF-QNWHQSFQSA-N 1 0 226.364 1.341 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1C ZINC000657523966 411540715 /nfs/dbraw/zinc/54/07/15/411540715.db2.gz VLTXIGWGCPFUCD-GFCCVEGCSA-N 1 0 218.300 1.282 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000307522473 170040117 /nfs/dbraw/zinc/04/01/17/170040117.db2.gz YGCPLVVNBQZBSX-HBNTYKKESA-N 1 0 214.378 1.422 10 0 BDAERO CCNC(=O)CC[NH2+][C@]1(CO)CCC[C@@H](C)C1 ZINC000053125501 170052983 /nfs/dbraw/zinc/05/29/83/170052983.db2.gz RINNFYMDONAWEF-DGCLKSJQSA-N 1 0 242.363 1.043 10 0 BDAERO CCNC(=O)CC[NH2+]Cc1ccc(OC)cc1 ZINC000051758089 170053446 /nfs/dbraw/zinc/05/34/46/170053446.db2.gz OKESSBTXWYPSAM-UHFFFAOYSA-N 1 0 236.315 1.311 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1cccnc1 ZINC000076610762 170054200 /nfs/dbraw/zinc/05/42/00/170054200.db2.gz NZXPXHVGEMMPJV-SNVBAGLBSA-N 1 0 221.304 1.040 10 0 BDAERO CCNC(=O)C[N@H+](CC)[C@@H](C)c1cccc(N)c1 ZINC000042367486 170056975 /nfs/dbraw/zinc/05/69/75/170056975.db2.gz ZGFXEQZNJQRWNK-NSHDSACASA-N 1 0 249.358 1.788 10 0 BDAERO CCNC(=O)C[N@H+](CC)[C@@H](C)c1ccc(N)cc1 ZINC000042367490 170057643 /nfs/dbraw/zinc/05/76/43/170057643.db2.gz CSPNXZRFPDVXEO-NSHDSACASA-N 1 0 249.358 1.788 10 0 BDAERO CCNC(=O)CN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268806 170060733 /nfs/dbraw/zinc/06/07/33/170060733.db2.gz DULVKONYQZVIJZ-UHFFFAOYSA-N 1 0 235.262 1.103 10 0 BDAERO CCNC(=O)COc1ccccc1[C@@H](C)[NH3+] ZINC000022218171 170068188 /nfs/dbraw/zinc/06/81/88/170068188.db2.gz UZEBEDGUWHVQDX-SECBINFHSA-N 1 0 222.288 1.221 10 0 BDAERO CCNC(=O)COc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798790 170068269 /nfs/dbraw/zinc/06/82/69/170068269.db2.gz CGHZNGYJRQBOOD-NSHDSACASA-N 1 0 234.299 1.148 10 0 BDAERO CCNC(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037916291 170073838 /nfs/dbraw/zinc/07/38/38/170073838.db2.gz SBXQFRMXXDSBBM-LLVKDONJSA-N 1 0 225.336 1.180 10 0 BDAERO CCNC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000036949270 170085006 /nfs/dbraw/zinc/08/50/06/170085006.db2.gz LWLIWJNLFSKNEY-QMMMGPOBSA-N 1 0 207.277 1.848 10 0 BDAERO CCNC(=O)[C@@H](C)n1c(C)[nH+]c2cc(N)ccc21 ZINC000052855449 170089943 /nfs/dbraw/zinc/08/99/43/170089943.db2.gz OIKTXXAFGVOGQK-MRVPVSSYSA-N 1 0 246.314 1.624 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555855 170095642 /nfs/dbraw/zinc/09/56/42/170095642.db2.gz VXPVCSODUXJEGO-NWDGAFQWSA-N 1 0 243.395 1.077 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCC(OC)CC1 ZINC000061288926 170105990 /nfs/dbraw/zinc/10/59/90/170105990.db2.gz JMQPSBJEVUOXGX-UHFFFAOYSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1cc(C)on1 ZINC000061289700 170106816 /nfs/dbraw/zinc/10/68/16/170106816.db2.gz FMSIEGSFQKPLOK-UHFFFAOYSA-N 1 0 239.319 1.330 10 0 BDAERO CC[NH2+]CCC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000061287695 170111552 /nfs/dbraw/zinc/11/15/52/170111552.db2.gz SJUQLQODAZTUDQ-GHMZBOCLSA-N 1 0 212.337 1.491 10 0 BDAERO CC[NH2+]CCCSc1nnc2ccccn21 ZINC000061407618 170112680 /nfs/dbraw/zinc/11/26/80/170112680.db2.gz FBNIXDWRYHVFOF-UHFFFAOYSA-N 1 0 236.344 1.821 10 0 BDAERO CC[NH2+]CCNc1ccc2c(c1)OCO2 ZINC000049474878 170116290 /nfs/dbraw/zinc/11/62/90/170116290.db2.gz MSGFYPVUZZSDGD-UHFFFAOYSA-N 1 0 208.261 1.437 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1ccc(F)c(F)c1 ZINC000071519235 170119202 /nfs/dbraw/zinc/11/92/02/170119202.db2.gz MISRFWLKDUOZJW-VIFPVBQESA-N 1 0 215.243 1.478 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(C(F)(F)F)C1 ZINC000095091539 170119714 /nfs/dbraw/zinc/11/97/14/170119714.db2.gz XURSQUOFINBUDJ-QMMMGPOBSA-N 1 0 210.243 1.828 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1Cc1cc(C)no1 ZINC000104411525 170119973 /nfs/dbraw/zinc/11/99/73/170119973.db2.gz QINFNQFDUXUKAI-LBPRGKRZSA-N 1 0 237.347 1.947 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(C)CCc1ccncc1 ZINC000061234363 170120799 /nfs/dbraw/zinc/12/07/99/170120799.db2.gz GFFSNYXWZSYAEH-LBPRGKRZSA-N 1 0 249.358 1.328 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1CCCCCC1 ZINC000061227123 170121297 /nfs/dbraw/zinc/12/12/97/170121297.db2.gz FRZOIOBMLRKECY-NSHDSACASA-N 1 0 212.337 1.635 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cccc(C)c1C ZINC000032014561 170121717 /nfs/dbraw/zinc/12/17/17/170121717.db2.gz WCLSQCZYBBDKEE-LBPRGKRZSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccncc1 ZINC000061229540 170122155 /nfs/dbraw/zinc/12/21/55/170122155.db2.gz CVAVDBALAPVECN-WDEREUQCSA-N 1 0 235.331 1.504 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2nccc(C)n2)C1 ZINC000061859969 170122454 /nfs/dbraw/zinc/12/24/54/170122454.db2.gz GJOXJPFCCNIYIW-GFCCVEGCSA-N 1 0 234.347 1.611 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1Cc1cc(C)no1 ZINC000104411527 170122944 /nfs/dbraw/zinc/12/29/44/170122944.db2.gz QINFNQFDUXUKAI-GFCCVEGCSA-N 1 0 237.347 1.947 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc2c(c1)OCCCO2 ZINC000049828702 170123047 /nfs/dbraw/zinc/12/30/47/170123047.db2.gz LHQUPWHKWQPYJR-NSHDSACASA-N 1 0 237.299 1.491 10 0 BDAERO CC[NH2+]C[C@]1(O)CCOc2ccccc21 ZINC000055027851 170123823 /nfs/dbraw/zinc/12/38/23/170123823.db2.gz NFMKKEOJALPVKY-GFCCVEGCSA-N 1 0 207.273 1.266 10 0 BDAERO CC[NH2+]Cc1cc(-n2ccc(C)n2)ccn1 ZINC000052885148 170124099 /nfs/dbraw/zinc/12/40/99/170124099.db2.gz RKZANJFVCSAADJ-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1ccc(N2CC[C@@H](C)C2)nn1 ZINC000051448474 170127397 /nfs/dbraw/zinc/12/73/97/170127397.db2.gz YACQSAMIZFAFRW-SNVBAGLBSA-N 1 0 220.320 1.432 10 0 BDAERO CC[NH2+]Cc1cccc(OC)c1OCCO ZINC000035413692 170128126 /nfs/dbraw/zinc/12/81/26/170128126.db2.gz CAHOFGODKCMDGO-UHFFFAOYSA-N 1 0 225.288 1.176 10 0 BDAERO CC[NH2+]Cc1cnn([C@@H]2CCCCC[C@H]2O)c1 ZINC000054600469 170130584 /nfs/dbraw/zinc/13/05/84/170130584.db2.gz IPVANFXABDLLGH-CHWSQXEVSA-N 1 0 237.347 1.859 10 0 BDAERO CC[NH2+]Cc1nc2ccccc2n1CCOC ZINC000052125569 170131598 /nfs/dbraw/zinc/13/15/98/170131598.db2.gz LJLNCCOKLZNPEH-UHFFFAOYSA-N 1 0 233.315 1.792 10 0 BDAERO CC[NH2+]Cc1occc1CN1CCOC[C@@H]1C ZINC000052475854 170132905 /nfs/dbraw/zinc/13/29/05/170132905.db2.gz WZYBCIHURCMTLE-NSHDSACASA-N 1 0 238.331 1.610 10 0 BDAERO CCNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000021019206 170137295 /nfs/dbraw/zinc/13/72/95/170137295.db2.gz CYQXCSCOMXYIOD-QMMMGPOBSA-N 1 0 228.317 1.005 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1cccc(OCC)c1 ZINC000037870904 170138413 /nfs/dbraw/zinc/13/84/13/170138413.db2.gz UPHKQNSAHWIRJE-LLVKDONJSA-N 1 0 222.288 1.221 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N(CC)Cc1ccncc1 ZINC000061272668 170139052 /nfs/dbraw/zinc/13/90/52/170139052.db2.gz VZSLXFBPFWGLIP-LBPRGKRZSA-N 1 0 249.358 1.818 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCCC[C@@H]1C ZINC000061268687 170139436 /nfs/dbraw/zinc/13/94/36/170139436.db2.gz OZVYYRUGYYBGNU-QWRGUYRKSA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)NCc1ccc(C)nc1 ZINC000062055391 170139439 /nfs/dbraw/zinc/13/94/39/170139439.db2.gz AROHVPQYZQCVQK-NSHDSACASA-N 1 0 235.331 1.394 10 0 BDAERO CC[NH2+][C@@H](C)[C@@H]1COc2ccccc2O1 ZINC000031623246 170141021 /nfs/dbraw/zinc/14/10/21/170141021.db2.gz MPOPVYQHZMQKRJ-CABZTGNLSA-N 1 0 207.273 1.824 10 0 BDAERO CC[NH2+][C@@H](CC1CCOCC1)c1ncccn1 ZINC000053829158 170143874 /nfs/dbraw/zinc/14/38/74/170143874.db2.gz KFZKJJCCJFUSCA-LBPRGKRZSA-N 1 0 235.331 1.944 10 0 BDAERO CCN[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711562 170144706 /nfs/dbraw/zinc/14/47/06/170144706.db2.gz IOFBSRKWXQGENB-VIFPVBQESA-N 1 0 218.222 1.713 10 0 BDAERO CC[NH2+][C@@H](c1nccs1)[C@@H]1CCOC1 ZINC000041060933 170149899 /nfs/dbraw/zinc/14/98/99/170149899.db2.gz NYLFAASNFHOHAO-RKDXNWHRSA-N 1 0 212.318 1.830 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@H]1N1CCCOCC1 ZINC000061917861 170150616 /nfs/dbraw/zinc/15/06/16/170150616.db2.gz LLTFYPKGVYQEAF-CHWSQXEVSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccccn2)C1 ZINC000037483454 170151640 /nfs/dbraw/zinc/15/16/40/170151640.db2.gz XUHFGXIJYATNHQ-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO CC[NH2+][C@@H]1CCN(CCOc2ccccc2)C1=O ZINC000042896756 170151801 /nfs/dbraw/zinc/15/18/01/170151801.db2.gz DCKREYYILBJYOK-CYBMUJFWSA-N 1 0 248.326 1.276 10 0 BDAERO CC[NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000049648861 170151806 /nfs/dbraw/zinc/15/18/06/170151806.db2.gz FILCVXICSHWSNR-CQSZACIVSA-N 1 0 246.354 1.830 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cccc(C)n2)C1 ZINC000051576595 170152089 /nfs/dbraw/zinc/15/20/89/170152089.db2.gz YYXSMVGDZKURNO-GFCCVEGCSA-N 1 0 219.332 1.574 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1=O ZINC000049647083 170152747 /nfs/dbraw/zinc/15/27/47/170152747.db2.gz UUZCICHXNIUNOC-GFCCVEGCSA-N 1 0 234.299 1.410 10 0 BDAERO CC[NH2+][C@@H]1C[C@@H](C)S(=O)(=O)c2ccccc21 ZINC000035760616 170154033 /nfs/dbraw/zinc/15/40/33/170154033.db2.gz KAOVCPXFAMDGOZ-MWLCHTKSSA-N 1 0 239.340 1.903 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1ccc(OC(C)C)cc1 ZINC000037895052 170155945 /nfs/dbraw/zinc/15/59/45/170155945.db2.gz GSDSSCFFPYEOPD-LBPRGKRZSA-N 1 0 236.315 1.610 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1cc(C)sc1C ZINC000049687600 170156376 /nfs/dbraw/zinc/15/63/76/170156376.db2.gz NONJEKBQVXIHTP-VIFPVBQESA-N 1 0 212.318 1.501 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCC(C)CC1 ZINC000061268674 170156772 /nfs/dbraw/zinc/15/67/72/170156772.db2.gz RDRHBIJMXUUKSM-LLVKDONJSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)Nc1nc(C)cc(C)n1 ZINC000061269254 170156794 /nfs/dbraw/zinc/15/67/94/170156794.db2.gz SAVASMMNPGQZSQ-MRVPVSSYSA-N 1 0 236.319 1.420 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N(C)C[C@@H]1CCCCO1 ZINC000061274082 170156846 /nfs/dbraw/zinc/15/68/46/170156846.db2.gz VGUFPRKYGYUTDL-NEPJUHHUSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+][C@H](C)Cc1nnc2ccccn21 ZINC000061212749 170158391 /nfs/dbraw/zinc/15/83/91/170158391.db2.gz RXEAUYVBPCBULO-SECBINFHSA-N 1 0 204.277 1.270 10 0 BDAERO CC[NH2+][C@H](C)[C@H](C)c1nc(-c2cnccn2)no1 ZINC000104072822 170158538 /nfs/dbraw/zinc/15/85/38/170158538.db2.gz XVAYGWKHBXFTBR-DTWKUNHWSA-N 1 0 247.302 1.628 10 0 BDAERO CC[NH2+][C@H](C)c1ccc(-n2cnnc2)cc1 ZINC000055170197 170158927 /nfs/dbraw/zinc/15/89/27/170158927.db2.gz CBXFCQXEBODILR-SNVBAGLBSA-N 1 0 216.288 1.938 10 0 BDAERO CC[NH2+][C@H](C)c1ccccc1-n1cncn1 ZINC000034665244 170160066 /nfs/dbraw/zinc/16/00/66/170160066.db2.gz YTFSCLVCTARJTH-SNVBAGLBSA-N 1 0 216.288 1.938 10 0 BDAERO CC[NH2+][C@H](CCN(C)CCO)c1ccccc1 ZINC000053933775 170161278 /nfs/dbraw/zinc/16/12/78/170161278.db2.gz AEURTMITPOWWEK-CQSZACIVSA-N 1 0 236.359 1.651 10 0 BDAERO CCN[C@H](CC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000062435982 170161396 /nfs/dbraw/zinc/16/13/96/170161396.db2.gz AUUMVLOHCYVHQQ-NWDGAFQWSA-N 1 0 242.363 1.402 10 0 BDAERO CCN[C@H](CC[N@H+](CC(C)C)C(C)C)C(N)=O ZINC000062525289 170161485 /nfs/dbraw/zinc/16/14/85/170161485.db2.gz NZCGMOYOBGZZFC-GFCCVEGCSA-N 1 0 243.395 1.206 10 0 BDAERO CC[NH2+][C@H](CCO)c1cccnc1Cl ZINC000095091365 170161654 /nfs/dbraw/zinc/16/16/54/170161654.db2.gz JMBLUZPRFOXZNT-SECBINFHSA-N 1 0 214.696 1.768 10 0 BDAERO CC[NH2+][C@H](Cn1ncccc1=O)c1ccccc1 ZINC000061402398 170162968 /nfs/dbraw/zinc/16/29/68/170162968.db2.gz QZPUZDOHKXIJBD-CYBMUJFWSA-N 1 0 243.310 1.594 10 0 BDAERO CC[NH2+][C@H](c1cnn(C)c1)c1cccc(C)n1 ZINC000104161606 170165189 /nfs/dbraw/zinc/16/51/89/170165189.db2.gz LIASBEAAMLXMLR-CYBMUJFWSA-N 1 0 230.315 1.822 10 0 BDAERO CC[NH2+][C@H]1CCCc2nc(N(C)C)ncc21 ZINC000050100903 170166500 /nfs/dbraw/zinc/16/65/00/170166500.db2.gz BRVHSWKVYAOAEO-JTQLQIEISA-N 1 0 220.320 1.530 10 0 BDAERO CC[NH2+][C@H]1CCC[C@@H]1n1nc(C)nc1C ZINC000044035126 170166561 /nfs/dbraw/zinc/16/65/61/170166561.db2.gz JBALZZJZOSDFNO-QWRGUYRKSA-N 1 0 208.309 1.598 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccccc2OC)C1=O ZINC000049647462 170167473 /nfs/dbraw/zinc/16/74/73/170167473.db2.gz KGTGTJXCMSNNAS-LBPRGKRZSA-N 1 0 248.326 1.406 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc(C)cc2F)C1=O ZINC000049647958 170167645 /nfs/dbraw/zinc/16/76/45/170167645.db2.gz POWLQFCBJVRCAM-NSHDSACASA-N 1 0 236.290 1.849 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccncc2)C[C@@H]1C ZINC000049712468 170167710 /nfs/dbraw/zinc/16/77/10/170167710.db2.gz DDPUSHHPHFFENM-JSGCOSHPSA-N 1 0 233.359 1.902 10 0 BDAERO CC[NH2+][C@H]1CCN(CCOc2ccccc2)C1 ZINC000042896736 170168025 /nfs/dbraw/zinc/16/80/25/170168025.db2.gz VJRXTWUXKIFYBX-ZDUSSCGKSA-N 1 0 234.343 1.749 10 0 BDAERO CC[NH2+][C@H]1CC[S@@](=O)c2ccc(OC)cc21 ZINC000040975779 170169080 /nfs/dbraw/zinc/16/90/80/170169080.db2.gz UHASEIWVDXQDHY-ZBEGNZNMSA-N 1 0 239.340 1.857 10 0 BDAERO CC[NH2+][C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000033966906 170169522 /nfs/dbraw/zinc/16/95/22/170169522.db2.gz CSXRPEGBUGCAHV-CBAPKCEASA-N 1 0 245.369 1.965 10 0 BDAERO CCNc1nc2c(s1)C[N@H+](CC)CC2 ZINC000061714366 170176945 /nfs/dbraw/zinc/17/69/45/170176945.db2.gz NNUYEEYMBQOIJU-UHFFFAOYSA-N 1 0 211.334 1.953 10 0 BDAERO CCOC(=O)C1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000119402693 170192954 /nfs/dbraw/zinc/19/29/54/170192954.db2.gz JEHUOSVRRUKYPI-CYBMUJFWSA-N 1 0 243.347 1.423 10 0 BDAERO CCOC(=O)CC1CC[NH+](C2CC2)CC1 ZINC000073653389 170197842 /nfs/dbraw/zinc/19/78/42/170197842.db2.gz YZZKFFMWBSVJAY-UHFFFAOYSA-N 1 0 211.305 1.814 10 0 BDAERO CCOC(=O)CC[NH2+]CCc1cccc(F)c1 ZINC000036779578 170209405 /nfs/dbraw/zinc/20/94/05/170209405.db2.gz XXOFUMSWYCOHHG-UHFFFAOYSA-N 1 0 239.290 1.911 10 0 BDAERO CCOC(=O)CN(C)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000103928658 170215846 /nfs/dbraw/zinc/21/58/46/170215846.db2.gz YKSVJLCRHAUBCT-NEPJUHHUSA-N 1 0 242.363 1.389 10 0 BDAERO CCOC(=O)N1C[C@@H](C)C([NH3+])[C@H](C)C1 ZINC000039084819 170240066 /nfs/dbraw/zinc/24/00/66/170240066.db2.gz SHTUTXIOXCCHBW-HTQZYQBOSA-N 1 0 200.282 1.058 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000019414878 170242216 /nfs/dbraw/zinc/24/22/16/170242216.db2.gz LBBUWUBXSJKTIR-JTQLQIEISA-N 1 0 244.241 1.711 10 0 BDAERO CCOC(=O)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000035691148 170243106 /nfs/dbraw/zinc/24/31/06/170243106.db2.gz YHDZCEDTUPBZRG-RKDXNWHRSA-N 1 0 200.282 1.263 10 0 BDAERO CCOC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000037372856 170244156 /nfs/dbraw/zinc/24/41/56/170244156.db2.gz GFRWFXOGZPXSSW-UHFFFAOYSA-N 1 0 220.272 1.901 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])Cc1cc(C)ccc1F ZINC000076159904 170251681 /nfs/dbraw/zinc/25/16/81/170251681.db2.gz CKLQALZJDXBTCH-LLVKDONJSA-N 1 0 239.290 1.815 10 0 BDAERO CCOC(=O)[C@@]1([NH3+])CC[C@@H](OC(C)(C)C)C1 ZINC000035630196 170263579 /nfs/dbraw/zinc/26/35/79/170263579.db2.gz UPTXHFIKMPXRKH-BXKDBHETSA-N 1 0 229.320 1.615 10 0 BDAERO CCOC(=O)[C@H](CC(C)C)N1CCC[NH2+]CC1 ZINC000037959661 170270474 /nfs/dbraw/zinc/27/04/74/170270474.db2.gz UUUCOMKYPZKNCH-LBPRGKRZSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC1CCN(CC[NH2+][C@H](C)C2CC2)CC1 ZINC000053389394 170332378 /nfs/dbraw/zinc/33/23/78/170332378.db2.gz SDCMHBIAPHKXPH-GFCCVEGCSA-N 1 0 240.391 1.875 10 0 BDAERO CCOCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000053733720 170358557 /nfs/dbraw/zinc/35/85/57/170358557.db2.gz HJGCHEJMLIJSCI-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO CCOCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1[NH3+] ZINC000104308242 170362043 /nfs/dbraw/zinc/36/20/43/170362043.db2.gz XXFBZFFJOFSBFN-GXTWGEPZSA-N 1 0 248.326 1.154 10 0 BDAERO CCOCCC[N@@H+]1C[C@@H](CC)NC[C@@H]1CC ZINC000083088808 170375513 /nfs/dbraw/zinc/37/55/13/170375513.db2.gz ZYMUENHAXFUWGK-OLZOCXBDSA-N 1 0 228.380 1.875 10 0 BDAERO CCOCCC[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000034938531 170382790 /nfs/dbraw/zinc/38/27/90/170382790.db2.gz OEIFIFXSAFDRMS-LLVKDONJSA-N 1 0 244.379 1.696 10 0 BDAERO CCOCCN1CC[N@H+](CCCF)C[C@H]1CC ZINC000128340013 170399198 /nfs/dbraw/zinc/39/91/98/170399198.db2.gz DCALZZICLYMUAY-CYBMUJFWSA-N 1 0 246.370 1.779 10 0 BDAERO OCC1CC([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000663375918 411640985 /nfs/dbraw/zinc/64/09/85/411640985.db2.gz XJFPDZHEESASTH-WXRRBKDZSA-N 1 0 227.348 1.288 10 0 BDAERO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cc1 ZINC000657693693 411580173 /nfs/dbraw/zinc/58/01/73/411580173.db2.gz FSIGQFHULZWRQO-CYBMUJFWSA-N 1 0 232.327 1.563 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@H]1C[C@H]1C ZINC000657695975 411581075 /nfs/dbraw/zinc/58/10/75/411581075.db2.gz DKIYHWNOWGEZPU-RCWTZXSCSA-N 1 0 210.321 1.099 10 0 BDAERO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696902 411582118 /nfs/dbraw/zinc/58/21/18/411582118.db2.gz XNAWLLRULVFTPI-AGIUHOORSA-N 1 0 238.375 1.881 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC23CCOCC3)C1 ZINC000660418551 411582374 /nfs/dbraw/zinc/58/23/74/411582374.db2.gz CHZORVQFSPURPB-CHWSQXEVSA-N 1 0 239.359 1.792 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCC=C(C)C)C1 ZINC000660508612 411595117 /nfs/dbraw/zinc/59/51/17/411595117.db2.gz SDQUGZRBBUBRTM-RYUDHWBXSA-N 1 0 213.321 1.424 10 0 BDAERO COCc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657813309 411603684 /nfs/dbraw/zinc/60/36/84/411603684.db2.gz SNXSZWYQENZHCN-UHFFFAOYSA-N 1 0 235.327 1.694 10 0 BDAERO COCc1cccc(C[NH2+]C2CC(CO)C2)c1 ZINC000657812068 411603692 /nfs/dbraw/zinc/60/36/92/411603692.db2.gz FLFNYKGAWZGWTF-UHFFFAOYSA-N 1 0 235.327 1.694 10 0 BDAERO Cc1nc2ccccn2c1C[NH2+]C1CC(CO)C1 ZINC000657812756 411603981 /nfs/dbraw/zinc/60/39/81/411603981.db2.gz NCVDDORHXGUTTD-UHFFFAOYSA-N 1 0 245.326 1.503 10 0 BDAERO CCSCC[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000129039711 170638664 /nfs/dbraw/zinc/63/86/64/170638664.db2.gz POXFQMGEXIBESM-BBBLOLIVSA-N 1 0 201.335 1.649 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)(C)C ZINC000133514013 411793954 /nfs/dbraw/zinc/79/39/54/411793954.db2.gz KBKMGMLFQCOBDH-GMTAPVOTSA-N 1 0 226.364 1.912 10 0 BDAERO CCOc1nccnc1N[C@@H]1CC[NH2+][C@H]1C ZINC000630546642 411719701 /nfs/dbraw/zinc/71/97/01/411719701.db2.gz ZSVNYDQSZNDOFH-DTWKUNHWSA-N 1 0 222.292 1.038 10 0 BDAERO CCOc1nccnc1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000630531955 411721117 /nfs/dbraw/zinc/72/11/17/411721117.db2.gz DNDMWUGSDVOSGD-NXEZZACHSA-N 1 0 236.319 1.428 10 0 BDAERO CC[C@@H](C)C[NH2+]C1CCS(=O)CC1 ZINC000054469560 170706508 /nfs/dbraw/zinc/70/65/08/170706508.db2.gz LRFRBISYOCSAIY-TTXORMCVSA-N 1 0 203.351 1.533 10 0 BDAERO CC[C@@H](C)N(Cc1ccncc1)C(=O)CC[NH3+] ZINC000033465564 170730911 /nfs/dbraw/zinc/73/09/11/170730911.db2.gz DPVIDFQAZZVKPE-LLVKDONJSA-N 1 0 235.331 1.558 10 0 BDAERO CC[C@@H](C)NC(=O)CNCCC[NH+](CC)CC ZINC000020052103 170740534 /nfs/dbraw/zinc/74/05/34/170740534.db2.gz HITGWWWGQJYDRM-GFCCVEGCSA-N 1 0 243.395 1.223 10 0 BDAERO CC[C@@H](C)NC(=O)C[C@@H](C[NH3+])c1cccnc1 ZINC000076618152 170741189 /nfs/dbraw/zinc/74/11/89/170741189.db2.gz DPXXZNMUTXRNRA-PWSUYJOCSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)c1ccncc1 ZINC000037823975 170750408 /nfs/dbraw/zinc/75/04/08/170750408.db2.gz HKZXIVJKAKADOT-NEPJUHHUSA-N 1 0 249.358 1.989 10 0 BDAERO CC[N@@H+]1CCCC[C@H](n2ccc(N)n2)C1 ZINC000616603489 411858796 /nfs/dbraw/zinc/85/87/96/411858796.db2.gz VFIZZBVAUTWZJI-JTQLQIEISA-N 1 0 208.309 1.512 10 0 BDAERO Cc1cc2c(N)noc2c(N2CC[C@@H]([NH3+])C2)c1 ZINC000584614373 411968624 /nfs/dbraw/zinc/96/86/24/411968624.db2.gz RHIAHPUZHYFWQJ-MRVPVSSYSA-N 1 0 232.287 1.256 10 0 BDAERO CC[C@@H]([NH3+])Cc1ccccc1OCc1ncon1 ZINC000037724727 170865990 /nfs/dbraw/zinc/86/59/90/170865990.db2.gz DRVMXUGXQGLFGQ-LLVKDONJSA-N 1 0 247.298 1.928 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(OC)c(O)c1 ZINC000036779153 170867978 /nfs/dbraw/zinc/86/79/78/170867978.db2.gz HFRAQEUMGOCMEK-LDYMZIIASA-N 1 0 211.261 1.172 10 0 BDAERO CC[C@@H]1CN(C2(C[NH3+])CCSCC2)CCO1 ZINC000042335060 171073914 /nfs/dbraw/zinc/07/39/14/171073914.db2.gz QXGFPNPKLXQPJZ-LLVKDONJSA-N 1 0 244.404 1.322 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1C1=NCCS1 ZINC000083347600 171100691 /nfs/dbraw/zinc/10/06/91/171100691.db2.gz PNNZHRZPGNZLTL-DTWKUNHWSA-N 1 0 213.350 1.162 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1c1nnc(C)s1 ZINC000083347098 171101823 /nfs/dbraw/zinc/10/18/23/171101823.db2.gz GAJYYDXVLUXLDX-MRVPVSSYSA-N 1 0 212.322 1.035 10 0 BDAERO CC[C@@H]1COCCN1CC1(C[NH3+])CCCC1 ZINC000051248528 171105648 /nfs/dbraw/zinc/10/56/48/171105648.db2.gz RHKQQFFTXHLPPR-GFCCVEGCSA-N 1 0 226.364 1.616 10 0 BDAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])C(C)C ZINC000036325728 171107643 /nfs/dbraw/zinc/10/76/43/171107643.db2.gz OXWBHBKWEPKKSI-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])C(C)(C)C ZINC000041051622 171108495 /nfs/dbraw/zinc/10/84/95/171108495.db2.gz IKPBQNLIXABLJQ-MNOVXSKESA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C[NH3+])o1 ZINC000052570955 171109752 /nfs/dbraw/zinc/10/97/52/171109752.db2.gz NKRAHZQCAUMBQJ-WDEREUQCSA-N 1 0 238.331 1.738 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1Cc1cc(C[NH3+])no1 ZINC000052571063 171114641 /nfs/dbraw/zinc/11/46/41/171114641.db2.gz WBHHHEPGPRBWKA-MWLCHTKSSA-N 1 0 239.319 1.133 10 0 BDAERO CC[C@H](CC(F)F)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000662276234 412068669 /nfs/dbraw/zinc/06/86/69/412068669.db2.gz HMZKEASJLDPVPA-IVZWLZJFSA-N 1 0 220.307 1.947 10 0 BDAERO CC[C@@](C)(CN)[N@H+](C)[C@@H]1CCSC1 ZINC000037174621 171166002 /nfs/dbraw/zinc/16/60/02/171166002.db2.gz FTSMDLABZZQJBU-ZJUUUORDSA-N 1 0 202.367 1.551 10 0 BDAERO CC[C@@](O)(C[NH2+]C)c1ccc(OC)c(OC)c1 ZINC000033468708 171195100 /nfs/dbraw/zinc/19/51/00/171195100.db2.gz CIUIKPGSJPPRLX-CYBMUJFWSA-N 1 0 239.315 1.521 10 0 BDAERO CC[C@@]1(C(=O)N2CCOC[C@@H]2C)CCC[NH2+]C1 ZINC000062853879 171196190 /nfs/dbraw/zinc/19/61/90/171196190.db2.gz ODPDNXZCVBEEMQ-WCQYABFASA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@@]1(C(=O)Nc2ncccc2C)CC[NH2+]C1 ZINC000062889833 171197549 /nfs/dbraw/zinc/19/75/49/171197549.db2.gz GYZZDXMXNSNTMC-CYBMUJFWSA-N 1 0 233.315 1.718 10 0 BDAERO CC[C@@]1(c2ccccc2)C[C@@]1(C[NH3+])CO ZINC000070501131 171216181 /nfs/dbraw/zinc/21/61/81/171216181.db2.gz VCUSVQPQEQFTDH-OLZOCXBDSA-N 1 0 205.301 1.676 10 0 BDAERO CC[C@H](C(=O)N(C)C1C[NH2+]C1)c1ccccc1 ZINC000090289823 171220143 /nfs/dbraw/zinc/22/01/43/171220143.db2.gz KQWXWXRKIDBFQF-ZDUSSCGKSA-N 1 0 232.327 1.610 10 0 BDAERO CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCCO1)[NH+](C)C ZINC000124783714 171231855 /nfs/dbraw/zinc/23/18/55/171231855.db2.gz GWOJKZZLDKZCQA-AXFHLTTASA-N 1 0 228.336 1.010 10 0 BDAERO C1=CCC(C[N@@H+]2CC[C@@H]3OCCN[C@@H]3C2)C1 ZINC000662283579 412074674 /nfs/dbraw/zinc/07/46/74/412074674.db2.gz AVNLJXJUGGLYMQ-OLZOCXBDSA-N 1 0 222.332 1.015 10 0 BDAERO CC(C)=CCC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000662283706 412075286 /nfs/dbraw/zinc/07/52/86/412075286.db2.gz CQTHHNDJIQJLSD-CHWSQXEVSA-N 1 0 224.348 1.405 10 0 BDAERO CC(C)=CCCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000662283853 412075413 /nfs/dbraw/zinc/07/54/13/412075413.db2.gz QNURBGKMIPTKCY-NWDGAFQWSA-N 1 0 210.321 1.015 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCc2ncnc(OC)c2C1 ZINC000119658279 171282257 /nfs/dbraw/zinc/28/22/57/171282257.db2.gz ABQHIDXGYHQKLA-JTQLQIEISA-N 1 0 235.331 1.889 10 0 BDAERO CC[C@H](C)N(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000037110285 171302757 /nfs/dbraw/zinc/30/27/57/171302757.db2.gz SHCXELGACFYPKS-JQWIXIFHSA-N 1 0 220.316 1.943 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)[C@H]([NH3+])CC(C)C ZINC000042591341 171315626 /nfs/dbraw/zinc/31/56/26/171315626.db2.gz SOLFAKICACQLEO-NWDGAFQWSA-N 1 0 244.379 1.633 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])c1ccccn1 ZINC000076618043 171335609 /nfs/dbraw/zinc/33/56/09/171335609.db2.gz JIWWUBQUDNTNBX-WDEREUQCSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H](C)NC(=O)c1cccc(OCC[NH3+])c1 ZINC000020228569 171337625 /nfs/dbraw/zinc/33/76/25/171337625.db2.gz CGPIPVALNOYFHH-JTQLQIEISA-N 1 0 236.315 1.552 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000037394508 171339467 /nfs/dbraw/zinc/33/94/67/171339467.db2.gz NUPJTNIWHHGTEC-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO CC[C@H](C)[NH2+]C1(C(N)=O)CCC(C)CC1 ZINC000038065177 171339577 /nfs/dbraw/zinc/33/95/77/171339577.db2.gz UYFSBTQEVHYGAW-YZRBJQDESA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc2c[nH]nc21 ZINC000037617796 171339685 /nfs/dbraw/zinc/33/96/85/171339685.db2.gz MTNYLZYMJJMIPC-VIFPVBQESA-N 1 0 246.314 1.890 10 0 BDAERO CC[C@H](C)[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000033465982 171341098 /nfs/dbraw/zinc/34/10/98/171341098.db2.gz IKNMEISMESLTIX-GXSJLCMTSA-N 1 0 237.299 1.837 10 0 BDAERO CC[C@H](C)[NH2+]C[C@@H](O)c1ccc(OC)c(N)c1 ZINC000098126461 171341516 /nfs/dbraw/zinc/34/15/16/171341516.db2.gz LTNFLOZUGNKEJE-JOYOIKCWSA-N 1 0 238.331 1.699 10 0 BDAERO CC[C@H](C)N[C@]1(C(=O)OC)CC[N@@H+](C2CC2)C1 ZINC000061991665 171348984 /nfs/dbraw/zinc/34/89/84/171348984.db2.gz YKTFKDSTLBNVJR-GXFFZTMASA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@H](C)[C@@H](C[NH3+])N1CCn2ccnc2C1 ZINC000062248651 171368712 /nfs/dbraw/zinc/36/87/12/171368712.db2.gz HHJXCJLRFCUVMX-WDEREUQCSA-N 1 0 222.336 1.072 10 0 BDAERO CC[C@H](C)[C@@H](CN)[N@@H+]1CCCSCC1 ZINC000042443436 171368798 /nfs/dbraw/zinc/36/87/98/171368798.db2.gz MSPKJCIKOXCHEE-WDEREUQCSA-N 1 0 216.394 1.799 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123248861 171388722 /nfs/dbraw/zinc/38/87/22/171388722.db2.gz GJVQENXURMJUAM-XQQFMLRXSA-N 1 0 228.380 1.731 10 0 BDAERO CC[C@H](C)[C@H](C[NH3+])N1CCCOCC1 ZINC000061916425 171392649 /nfs/dbraw/zinc/39/26/49/171392649.db2.gz PRMYJDOBCICDGT-QWRGUYRKSA-N 1 0 200.326 1.082 10 0 BDAERO CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)OC ZINC000362975359 171393595 /nfs/dbraw/zinc/39/35/95/171393595.db2.gz FCYDMKDRLFAJPW-AVGNSLFASA-N 1 0 228.380 1.779 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(O)c(OC)c1 ZINC000036779414 171487846 /nfs/dbraw/zinc/48/78/46/171487846.db2.gz BNUATSTXRYYKBT-KWQFWETISA-N 1 0 211.261 1.172 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1cc2c(c(Cl)c1)OCO2 ZINC000036779316 171487913 /nfs/dbraw/zinc/48/79/13/171487913.db2.gz MNYUKYFBPCTSAS-WPRPVWTQSA-N 1 0 243.690 1.839 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218876356 412210649 /nfs/dbraw/zinc/21/06/49/412210649.db2.gz OIPWYXVCNSXWTF-ADEWGFFLSA-N 1 0 224.348 1.761 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000662560722 412211679 /nfs/dbraw/zinc/21/16/79/412211679.db2.gz MWXGCRVUXFBYIG-LMLFDSFASA-N 1 0 210.321 1.147 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CC1 ZINC000129441658 171542057 /nfs/dbraw/zinc/54/20/57/171542057.db2.gz YSASFOLMIAYHHI-MNOVXSKESA-N 1 0 220.320 1.371 10 0 BDAERO CC1CC(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662650447 412256961 /nfs/dbraw/zinc/25/69/61/412256961.db2.gz WGRXJTGUZCTWQC-UHFFFAOYSA-N 1 0 210.321 1.420 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC1=CCCOC1 ZINC000662661627 412261413 /nfs/dbraw/zinc/26/14/13/412261413.db2.gz GBNMDGFEGVZWIX-CMPLNLGQSA-N 1 0 240.347 1.165 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@]1(C)CC1(F)F ZINC000662665225 412263183 /nfs/dbraw/zinc/26/31/83/412263183.db2.gz GUMNJDCCHFFILW-XKSSXDPKSA-N 1 0 234.290 1.521 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccccn1 ZINC000662606185 412237134 /nfs/dbraw/zinc/23/71/34/412237134.db2.gz PNCPWOPLVMTIAR-WOPDTQHZSA-N 1 0 247.342 1.429 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](OC)CC1 ZINC000662836201 412316555 /nfs/dbraw/zinc/31/65/55/412316555.db2.gz WUZRHLNYJVDXMU-GHMZBOCLSA-N 1 0 228.336 1.141 10 0 BDAERO CC[C@H]1COCCN1C[C@@H]1CCCC[NH2+]1 ZINC000036326892 171670867 /nfs/dbraw/zinc/67/08/67/171670867.db2.gz OXDIFUCKJFVSIR-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CC2(CCC2)C1 ZINC000662907790 412341931 /nfs/dbraw/zinc/34/19/31/412341931.db2.gz XOIYOIGONJBTTG-ZYHUDNBSSA-N 1 0 236.359 1.823 10 0 BDAERO CC(NC(=O)[C@H]1CC[C@@H]([NH3+])C1)(C1CC1)C1CC1 ZINC000662915068 412344433 /nfs/dbraw/zinc/34/44/33/412344433.db2.gz ITVHJXIRIMZRAN-JOYOIKCWSA-N 1 0 236.359 1.809 10 0 BDAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000662925326 412347241 /nfs/dbraw/zinc/34/72/41/412347241.db2.gz HMZOWQVRTWHVHB-AXFHLTTASA-N 1 0 228.336 1.044 10 0 BDAERO CCCOc1nccnc1N[C@@H](C)[C@H](C)[NH3+] ZINC000630518178 412359606 /nfs/dbraw/zinc/35/96/06/412359606.db2.gz RMIVKRFNRVXGIP-IUCAKERBSA-N 1 0 224.308 1.413 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000662971218 412360378 /nfs/dbraw/zinc/36/03/78/412360378.db2.gz ZYKFASWYNYRRBO-ZJUUUORDSA-N 1 0 236.319 1.042 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000662971215 412360423 /nfs/dbraw/zinc/36/04/23/412360423.db2.gz ZYKFASWYNYRRBO-UWVGGRQHSA-N 1 0 236.319 1.042 10 0 BDAERO CC1CC(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)C1 ZINC000662982906 412362444 /nfs/dbraw/zinc/36/24/44/412362444.db2.gz ZAQQEPQVQKFUAQ-KAVNDROISA-N 1 0 238.253 1.381 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ncnc2ccsc21 ZINC000663278355 412401364 /nfs/dbraw/zinc/40/13/64/412401364.db2.gz GUUPNQHKIVXYIV-ZETCQYMHSA-N 1 0 222.317 1.711 10 0 BDAERO CCCc1nccnc1N1CC[C@@H](C[NH2+]C)C1 ZINC000663270809 412403410 /nfs/dbraw/zinc/40/34/10/412403410.db2.gz QSSIXIGRWXSBCC-NSHDSACASA-N 1 0 234.347 1.475 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000663273266 412404583 /nfs/dbraw/zinc/40/45/83/412404583.db2.gz YQOPLEHGUKQTTA-NWDGAFQWSA-N 1 0 248.374 1.993 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000663274865 412405111 /nfs/dbraw/zinc/40/51/11/412405111.db2.gz QNBWSLPGCLPHTL-RYUDHWBXSA-N 1 0 246.358 1.617 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000663274859 412405311 /nfs/dbraw/zinc/40/53/11/412405311.db2.gz QNBWSLPGCLPHTL-NEPJUHHUSA-N 1 0 246.358 1.617 10 0 BDAERO Cc1cc(NCC[C@@H]([NH3+])C(C)C)n2ncnc2n1 ZINC000663276097 412405390 /nfs/dbraw/zinc/40/53/90/412405390.db2.gz KOJGCSREHXGPNY-SNVBAGLBSA-N 1 0 248.334 1.218 10 0 BDAERO Cc1cnc(NCC[C@@H]([NH3+])C(C)C)nc1 ZINC000663276440 412406860 /nfs/dbraw/zinc/40/68/60/412406860.db2.gz XSPFSJVPNZURII-SNVBAGLBSA-N 1 0 208.309 1.570 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1CCOC1(C)C ZINC000663308339 412414188 /nfs/dbraw/zinc/41/41/88/412414188.db2.gz MTABCFRAJQTDPJ-VIFPVBQESA-N 1 0 201.310 1.162 10 0 BDAERO CCc1cccc(OCCO[C@@H](C)C[NH3+])c1 ZINC000074527806 171866421 /nfs/dbraw/zinc/86/64/21/171866421.db2.gz KWUIIKBVRUAYTF-NSHDSACASA-N 1 0 223.316 1.992 10 0 BDAERO CCc1ccccc1O[C@H]1COCC[C@H]1[NH3+] ZINC000036306217 171891263 /nfs/dbraw/zinc/89/12/63/171891263.db2.gz GNUXGGPLJUVQJH-YPMHNXCESA-N 1 0 221.300 1.744 10 0 BDAERO CCc1ccccc1OC[C@H](O)C[NH2+]C1CC1 ZINC000033465442 171891372 /nfs/dbraw/zinc/89/13/72/171891372.db2.gz LFLRBXFRLRNQMI-CYBMUJFWSA-N 1 0 235.327 1.741 10 0 BDAERO C[C@H]1CN(CCOCc2ccccc2)C[C@H]1[NH3+] ZINC000306635819 487623525 /nfs/dbraw/zinc/62/35/25/487623525.db2.gz ALVPRXZEJRPGFM-GXTWGEPZSA-N 1 0 234.343 1.482 10 0 BDAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)CC)CC2 ZINC000129451212 172014920 /nfs/dbraw/zinc/01/49/20/172014920.db2.gz BZPCVAJSFHQGSA-NXEZZACHSA-N 1 0 222.336 1.543 10 0 BDAERO CCc1nccn1C[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000052593180 172025882 /nfs/dbraw/zinc/02/58/82/172025882.db2.gz WZQVZHVWQQTBHC-STQMWFEESA-N 1 0 249.358 1.745 10 0 BDAERO CCc1nccn1[C@H]1CCC[N@H+](CCOC)C1 ZINC000105897094 172029254 /nfs/dbraw/zinc/02/92/54/172029254.db2.gz MGSMNAMIXDWZQB-LBPRGKRZSA-N 1 0 237.347 1.729 10 0 BDAERO CCc1nnc2n1C[C@@H]([NH2+][C@H](C)CC)CC2 ZINC000369853456 172068953 /nfs/dbraw/zinc/06/89/53/172068953.db2.gz RAYSHUWOGHKFDC-ZJUUUORDSA-N 1 0 222.336 1.543 10 0 BDAERO CCc1noc([C@]2([NH3+])CCC[C@H](C)C2)n1 ZINC000041035624 172091975 /nfs/dbraw/zinc/09/19/75/172091975.db2.gz NDUBZZUOXJPAIU-KWQFWETISA-N 1 0 209.293 1.996 10 0 BDAERO CCn1c(C)nnc1[C@@]1([NH3+])CCC[C@H](C)C1 ZINC000042029709 172141800 /nfs/dbraw/zinc/14/18/00/172141800.db2.gz ILYJHTOJEWXMDT-JOYOIKCWSA-N 1 0 222.336 1.971 10 0 BDAERO CCn1c2ccccc2nc1C[C@H](C)[NH3+] ZINC000037436831 172144985 /nfs/dbraw/zinc/14/49/85/172144985.db2.gz GCXZGAVAXNNBDP-VIFPVBQESA-N 1 0 203.289 1.946 10 0 BDAERO CCn1c(SCC[NH3+])nnc1-c1ccco1 ZINC000003312565 172147008 /nfs/dbraw/zinc/14/70/08/172147008.db2.gz QPTMAYSSPJXOMY-UHFFFAOYSA-N 1 0 238.316 1.609 10 0 BDAERO CCn1cc(-c2cncc(C[NH3+])c2)cn1 ZINC000082639199 172148597 /nfs/dbraw/zinc/14/85/97/172148597.db2.gz LQZAMHSNRQUKFK-UHFFFAOYSA-N 1 0 202.261 1.424 10 0 BDAERO CCn1cc(-c2csc(C[NH2+]C)n2)cn1 ZINC000053294196 172148976 /nfs/dbraw/zinc/14/89/76/172148976.db2.gz OHQJKUNCIZBXAG-UHFFFAOYSA-N 1 0 222.317 1.746 10 0 BDAERO CCn1cc(CC2(C[NH3+])CCCC2)cn1 ZINC000054635695 172158344 /nfs/dbraw/zinc/15/83/44/172158344.db2.gz ATSXVPXCTDXEFA-UHFFFAOYSA-N 1 0 207.321 1.965 10 0 BDAERO CCn1cc(CN2CC[C@H](C)C[C@@H]2C[NH3+])cn1 ZINC000234207080 172165841 /nfs/dbraw/zinc/16/58/41/172165841.db2.gz YAYZOUONSZMXGD-WCQYABFASA-N 1 0 236.363 1.462 10 0 BDAERO CCn1cc(NCc2c[nH]c(C)n2)cn1 ZINC000054821631 172184894 /nfs/dbraw/zinc/18/48/94/172184894.db2.gz GHSNXXFXDMRYAQ-UHFFFAOYSA-N 1 0 205.265 1.547 10 0 BDAERO CCn1cc([C@@H]([NH3+])c2cccnc2)cn1 ZINC000043469147 172195162 /nfs/dbraw/zinc/19/51/62/172195162.db2.gz GVEZGJCBUMAVFS-NSHDSACASA-N 1 0 202.261 1.346 10 0 BDAERO CCn1cccc1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000227127699 172207692 /nfs/dbraw/zinc/20/76/92/172207692.db2.gz MIDYUCBTQHPSHW-WCQYABFASA-N 1 0 238.331 1.138 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000228708222 172209235 /nfs/dbraw/zinc/20/92/35/172209235.db2.gz IAKNVUMCXUMCRL-QWRGUYRKSA-N 1 0 210.321 1.615 10 0 BDAERO CCn1ccnc(N[C@H](C)CCCC[NH3+])c1=O ZINC000310313792 172212342 /nfs/dbraw/zinc/21/23/42/172212342.db2.gz FGWUUGHXMCJSRB-SNVBAGLBSA-N 1 0 238.335 1.193 10 0 BDAERO CCn1ccnc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000051923447 172223588 /nfs/dbraw/zinc/22/35/88/172223588.db2.gz ZZMVKNALVXGWLF-QWRGUYRKSA-N 1 0 223.320 1.296 10 0 BDAERO CCn1ccnc1[C@@H]([NH3+])c1ccc2c(c1)COC2 ZINC000104226644 172229860 /nfs/dbraw/zinc/22/98/60/172229860.db2.gz VCMKAMDBTHNFGF-ZDUSSCGKSA-N 1 0 243.310 1.981 10 0 BDAERO CCn1cnnc1[C@](C)([NH3+])c1ccccc1 ZINC000054497756 172239965 /nfs/dbraw/zinc/23/99/65/172239965.db2.gz FPVSUVRLDDWTNP-GFCCVEGCSA-N 1 0 216.288 1.520 10 0 BDAERO CN(C(=O)Nc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000037469967 172324348 /nfs/dbraw/zinc/32/43/48/172324348.db2.gz BLKXXWPUQWWYSP-LLVKDONJSA-N 1 0 219.288 1.512 10 0 BDAERO CN(C(=O)Oc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000037469952 172324722 /nfs/dbraw/zinc/32/47/22/172324722.db2.gz YGPMHQNNVBCTHY-JTQLQIEISA-N 1 0 220.272 1.479 10 0 BDAERO CN(C(=O)[C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000062116728 172329117 /nfs/dbraw/zinc/32/91/17/172329117.db2.gz PHSDNAAXFUZKBX-SECBINFHSA-N 1 0 222.263 1.398 10 0 BDAERO CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC000055086991 172333992 /nfs/dbraw/zinc/33/39/92/172333992.db2.gz FIFKJBPILHRAOO-NWDGAFQWSA-N 1 0 224.348 1.905 10 0 BDAERO CN(C(=O)c1cc2ccccc2o1)C1C[NH2+]C1 ZINC000090289680 172338254 /nfs/dbraw/zinc/33/82/54/172338254.db2.gz YZIPCHICQPJWSB-UHFFFAOYSA-N 1 0 230.267 1.477 10 0 BDAERO CN(C(=O)c1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000037540954 172342255 /nfs/dbraw/zinc/34/22/55/172342255.db2.gz YKYICYXDFZVGSH-GFCCVEGCSA-N 1 0 236.290 1.650 10 0 BDAERO CN(C(=O)c1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000037540955 172342589 /nfs/dbraw/zinc/34/25/89/172342589.db2.gz YKYICYXDFZVGSH-LBPRGKRZSA-N 1 0 236.290 1.650 10 0 BDAERO CN(C(=O)c1ccccn1)c1ccc(C[NH3+])cc1 ZINC000034653640 172343294 /nfs/dbraw/zinc/34/32/94/172343294.db2.gz SWEKGGYCAXOMBI-UHFFFAOYSA-N 1 0 241.294 1.817 10 0 BDAERO CN(C)C(=O)CCC[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104233091 172356165 /nfs/dbraw/zinc/35/61/65/172356165.db2.gz BKFBQNGGLRARJB-XQQFMLRXSA-N 1 0 238.375 1.881 10 0 BDAERO CN(C)C(=O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061325646 172369664 /nfs/dbraw/zinc/36/96/64/172369664.db2.gz MXASFUPGVGOGGH-SNVBAGLBSA-N 1 0 238.356 1.803 10 0 BDAERO CN(C)C(=O)COc1ccc(C[NH3+])cc1Cl ZINC000042303159 172372740 /nfs/dbraw/zinc/37/27/40/172372740.db2.gz IOPOEQIIPIOICX-UHFFFAOYSA-N 1 0 242.706 1.266 10 0 BDAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1N ZINC000036799048 172384185 /nfs/dbraw/zinc/38/41/85/172384185.db2.gz CDJVBGVSPFVFGV-ZDUSSCGKSA-N 1 0 247.342 1.321 10 0 BDAERO CN(CCC[NH+](C)C)c1ccc(CO)cc1F ZINC000104193468 172431196 /nfs/dbraw/zinc/43/11/96/172431196.db2.gz GSAWIRNUWDEDRO-UHFFFAOYSA-N 1 0 240.322 1.706 10 0 BDAERO C[NH+](C)CCCOc1nc2c(s1)CCOC2 ZINC000064540954 172444886 /nfs/dbraw/zinc/44/48/86/172444886.db2.gz KVAZTTURZSLTAA-UHFFFAOYSA-N 1 0 242.344 1.546 10 0 BDAERO C[NH+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000011993059 172445803 /nfs/dbraw/zinc/44/58/03/172445803.db2.gz VHLLKCDJAORTTL-UHFFFAOYSA-N 1 0 238.356 1.651 10 0 BDAERO CN(C)CC[NH2+]C[C@@H](O)c1ccc2c(c1)CCC2 ZINC000049836549 172465671 /nfs/dbraw/zinc/46/56/71/172465671.db2.gz VOWGFEIKIQUNBO-OAHLLOKOSA-N 1 0 248.370 1.360 10 0 BDAERO CN(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336776851 172493245 /nfs/dbraw/zinc/49/32/45/172493245.db2.gz GUZLAWNCQCWRHF-UTUOFQBUSA-N 1 0 232.343 1.027 10 0 BDAERO CN(CC[NH2+]Cc1ccccc1)C[C@H]1CCCO1 ZINC000053431185 172746953 /nfs/dbraw/zinc/74/69/53/172746953.db2.gz GQZJMQFSPYGXLM-OAHLLOKOSA-N 1 0 248.370 1.887 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1ccnc(Cl)n1 ZINC000095071063 172828896 /nfs/dbraw/zinc/82/88/96/172828896.db2.gz VTSSIBARHQSZSY-VIFPVBQESA-N 1 0 240.738 1.566 10 0 BDAERO CN(c1cc(N)cc[nH+]1)[C@H]1CCSC1 ZINC000043568869 172945434 /nfs/dbraw/zinc/94/54/34/172945434.db2.gz CKKXMPRMJCISKO-VIFPVBQESA-N 1 0 209.318 1.606 10 0 BDAERO CN(c1cccc(C[NH3+])c1)c1ncccn1 ZINC000061951074 172949162 /nfs/dbraw/zinc/94/91/62/172949162.db2.gz LCHDKOARIZEQGT-UHFFFAOYSA-N 1 0 214.272 1.703 10 0 BDAERO CN(c1nc2ccccc2nc1N)[C@@H]1CC[NH2+]C1 ZINC000095070547 172952829 /nfs/dbraw/zinc/95/28/29/172952829.db2.gz QXZOWLRIEKLPCN-SECBINFHSA-N 1 0 243.314 1.010 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 ZINC000044561697 173004996 /nfs/dbraw/zinc/00/49/96/173004996.db2.gz ABMRURFUQAYMPY-NWDGAFQWSA-N 1 0 212.337 1.097 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1C1=NO[C@H]2NCCCC=C12 ZINC000038805219 173005090 /nfs/dbraw/zinc/00/50/90/173005090.db2.gz NAJXCLWLRGXTNF-DGCLKSJQSA-N 1 0 235.331 1.493 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]Cc1ccncn1 ZINC000054789850 173005588 /nfs/dbraw/zinc/00/55/88/173005588.db2.gz JGGIENSYLDRKSB-GFCCVEGCSA-N 1 0 220.320 1.051 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2ccc(C(N)=O)cc2)C1 ZINC000075906441 173023613 /nfs/dbraw/zinc/02/36/13/173023613.db2.gz JLHTYNBOAKNERX-GFCCVEGCSA-N 1 0 218.300 1.595 10 0 BDAERO C[N@@H+]1CCC[C@H](CNC[C@H](O)c2ccco2)C1 ZINC000070141787 173042999 /nfs/dbraw/zinc/04/29/99/173042999.db2.gz KQQQYSQNYMNFLV-NEPJUHHUSA-N 1 0 238.331 1.244 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2cc(Cl)ncn2)C1 ZINC000048631319 173046855 /nfs/dbraw/zinc/04/68/55/173046855.db2.gz YENBFSOEOCHUJF-QMMMGPOBSA-N 1 0 226.711 1.636 10 0 BDAERO C[N@@H+]1CCC[C@H](c2cccc3[nH]c(=O)[nH]c32)C1 ZINC000034249529 173048532 /nfs/dbraw/zinc/04/85/32/173048532.db2.gz RLAGUNNVUNXECQ-VIFPVBQESA-N 1 0 231.299 1.665 10 0 BDAERO C[N@@H+]1CCC[C@H]1CCOc1ccc(N)cn1 ZINC000040240437 173053552 /nfs/dbraw/zinc/05/35/52/173053552.db2.gz YHUCIKDXNWDNFE-NSHDSACASA-N 1 0 221.304 1.527 10 0 BDAERO CN1CCN(Cc2cc(C[NH3+])ccc2F)C1=O ZINC000052885476 173086666 /nfs/dbraw/zinc/08/66/66/173086666.db2.gz AJOSROFJWZIGGS-UHFFFAOYSA-N 1 0 237.278 1.152 10 0 BDAERO CN1CC[NH2+][C@H](c2ccc3ncccc3c2)C1 ZINC000076187682 173098135 /nfs/dbraw/zinc/09/81/35/173098135.db2.gz KYRNFARVZAPHMH-AWEZNQCLSA-N 1 0 227.311 1.811 10 0 BDAERO CN1CC[NH2+][C@H](c2ccc(Cl)s2)C1 ZINC000049816195 173098821 /nfs/dbraw/zinc/09/88/21/173098821.db2.gz HZAWKQPJRJOZSU-ZETCQYMHSA-N 1 0 216.737 1.978 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000335596485 173108604 /nfs/dbraw/zinc/10/86/04/173108604.db2.gz OPJLQIBJALFXIB-VXGBXAGGSA-N 1 0 224.348 1.239 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000245449512 173109007 /nfs/dbraw/zinc/10/90/07/173109007.db2.gz NUHQTFFIXOKKCO-HIFRSBDPSA-N 1 0 246.354 1.594 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccccc2C(N)=S)C1 ZINC000042549342 173126265 /nfs/dbraw/zinc/12/62/65/173126265.db2.gz APIMYOJHVUGNPK-SECBINFHSA-N 1 0 235.356 1.437 10 0 BDAERO C[N@@H+]1CC[C@@](CO)(Nc2cccc(Cl)c2)C1 ZINC000061992108 173135053 /nfs/dbraw/zinc/13/50/53/173135053.db2.gz DLVSOKITEXSVLH-GFCCVEGCSA-N 1 0 240.734 1.819 10 0 BDAERO C[N@@H+]1CC[C@@]2(CCCN2c2cnccn2)C1 ZINC000038587355 173138656 /nfs/dbraw/zinc/13/86/56/173138656.db2.gz DDXYCPBDMOSPCU-LBPRGKRZSA-N 1 0 218.304 1.151 10 0 BDAERO C[N@@H+]1CC[C@H](CN2Cc3cccc(N)c3C2)C1 ZINC000037648102 173145050 /nfs/dbraw/zinc/14/50/50/173145050.db2.gz WCDPHBMOHBAIIR-NSHDSACASA-N 1 0 231.343 1.536 10 0 BDAERO C[N@@H+]1CC[C@H](CNC(=O)c2sccc2N)C1 ZINC000040305657 173147218 /nfs/dbraw/zinc/14/72/18/173147218.db2.gz VBAXTDWYUYUQAW-MRVPVSSYSA-N 1 0 239.344 1.012 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccccc2CO)C1 ZINC000061988539 173156809 /nfs/dbraw/zinc/15/68/09/173156809.db2.gz FYZPTCJKWXCMHQ-NSHDSACASA-N 1 0 206.289 1.295 10 0 BDAERO C[N@@H+]1CC[C@](N)(c2nc(C(C)(C)C)cs2)C1 ZINC000061991793 173162791 /nfs/dbraw/zinc/16/27/91/173162791.db2.gz MGAPTOOONIGILQ-GFCCVEGCSA-N 1 0 239.388 1.930 10 0 BDAERO CNC(=O)CCOc1cccc(C[C@H](C)[NH3+])c1 ZINC000051761991 173262157 /nfs/dbraw/zinc/26/21/57/173262157.db2.gz GEVRUNPLDXBYTC-JTQLQIEISA-N 1 0 236.315 1.091 10 0 BDAERO CNC(=O)C[N@H+](C)[C@@H](C)c1cccc(N)c1 ZINC000040908150 173270387 /nfs/dbraw/zinc/27/03/87/173270387.db2.gz ADMQYIXPJKDFRV-VIFPVBQESA-N 1 0 221.304 1.008 10 0 BDAERO CNC(=O)CN(C)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966098 173270733 /nfs/dbraw/zinc/27/07/33/173270733.db2.gz UHCQCIZNILFADH-BXUZGUMPSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)COc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746609 173279199 /nfs/dbraw/zinc/27/91/99/173279199.db2.gz YINANIYYYSJDFG-MRVPVSSYSA-N 1 0 240.278 1.231 10 0 BDAERO CNC(=O)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000299347803 173280508 /nfs/dbraw/zinc/28/05/08/173280508.db2.gz MUBPSKHCDWAYLW-LLVKDONJSA-N 1 0 220.316 1.343 10 0 BDAERO CNC(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000041708892 173293191 /nfs/dbraw/zinc/29/31/91/173293191.db2.gz ZVLUNHKRFUXLIT-MRVPVSSYSA-N 1 0 207.277 1.718 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000042560334 173295478 /nfs/dbraw/zinc/29/54/78/173295478.db2.gz KWRWUOBTXOARBC-NXEZZACHSA-N 1 0 236.315 1.480 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1Cl ZINC000042303032 173295929 /nfs/dbraw/zinc/29/59/29/173295929.db2.gz OHYLCCCVXZFBPH-SSDOTTSWSA-N 1 0 242.706 1.312 10 0 BDAERO CNC(=O)[C@@H](C)Oc1cccc(C[C@H](C)[NH3+])c1 ZINC000037726642 173295977 /nfs/dbraw/zinc/29/59/77/173295977.db2.gz GFNAGZXXHQRMSU-VHSXEESVSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@@H](C)n1c(N)[nH+]c2cc(F)ccc21 ZINC000042572352 173296153 /nfs/dbraw/zinc/29/61/53/173296153.db2.gz ZETAAWSKIOPVSZ-ZCFIWIBFSA-N 1 0 236.250 1.065 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042862210 173302451 /nfs/dbraw/zinc/30/24/51/173302451.db2.gz ZDVCFQYUWZUTAQ-VWYCJHECSA-N 1 0 212.337 1.537 10 0 BDAERO CNC(=O)[C@H](C[NH3+])Cc1c(C)cc(C)cc1C ZINC000050303826 173304802 /nfs/dbraw/zinc/30/48/02/173304802.db2.gz DSWZPCMCZHGSRV-LBPRGKRZSA-N 1 0 234.343 1.475 10 0 BDAERO CNC(=O)[C@H]([NH2+]CC1(C)CCC1)C(C)C ZINC000308933634 173305191 /nfs/dbraw/zinc/30/51/91/173305191.db2.gz NFAMMEYTCSXFPJ-SNVBAGLBSA-N 1 0 212.337 1.537 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1cccs1 ZINC000061300372 173318389 /nfs/dbraw/zinc/31/83/89/173318389.db2.gz MNJHOALSAFGEQT-UHFFFAOYSA-N 1 0 212.318 1.362 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC[C@H]1CC=CCC1 ZINC000061319095 173318505 /nfs/dbraw/zinc/31/85/05/173318505.db2.gz HIKOVOHHMQSFQK-JTQLQIEISA-N 1 0 210.321 1.457 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccccn1 ZINC000061300444 173318726 /nfs/dbraw/zinc/31/87/26/173318726.db2.gz MTMBEWMYCDTCOH-VIFPVBQESA-N 1 0 221.304 1.257 10 0 BDAERO C[NH2+]C1(/C=C/COc2cccnc2)CC1 ZINC000029127011 173321101 /nfs/dbraw/zinc/32/11/01/173321101.db2.gz PIRMHMOTVGYPPY-HWKANZROSA-N 1 0 204.273 1.769 10 0 in-vitro BDAERO C[NH2+]CC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000193131632 173327811 /nfs/dbraw/zinc/32/78/11/173327811.db2.gz PLOQJELBYCXOML-GHMZBOCLSA-N 1 0 236.315 1.799 10 0 BDAERO C[NH2+]CC(=O)NCCN(C)c1c(C)cccc1C ZINC000077429271 173328818 /nfs/dbraw/zinc/32/88/18/173328818.db2.gz VQEGOCHZVKCXAT-UHFFFAOYSA-N 1 0 249.358 1.075 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(OCC(C)C)cc1 ZINC000066225790 173333923 /nfs/dbraw/zinc/33/39/23/173333923.db2.gz VOCAHXVEHNHFJI-UHFFFAOYSA-N 1 0 236.315 1.879 10 0 BDAERO C[NH2+]CC(=O)c1sccc1Br ZINC000083333441 173336812 /nfs/dbraw/zinc/33/68/12/173336812.db2.gz ZQFGFTABDWVCGV-UHFFFAOYSA-N 1 0 234.118 1.913 10 0 BDAERO C[NH2+]CCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000043604360 173341495 /nfs/dbraw/zinc/34/14/95/173341495.db2.gz RSOVUNDRKIEFFD-UHFFFAOYSA-N 1 0 244.298 1.625 10 0 BDAERO C[NH2+]CCCC(=O)N1CCn2c(C)ccc2[C@@H]1C ZINC000037798457 173343737 /nfs/dbraw/zinc/34/37/37/173343737.db2.gz BJKAMNAMEBJBKF-LBPRGKRZSA-N 1 0 249.358 1.699 10 0 BDAERO C[NH2+]CCCS(=O)(=O)N(C)c1ccccc1 ZINC000077391104 173349640 /nfs/dbraw/zinc/34/96/40/173349640.db2.gz XZTRATHEZJGQGG-UHFFFAOYSA-N 1 0 242.344 1.062 10 0 BDAERO C[NH2+]CCN(C)CCc1cccc(C)c1 ZINC000077299974 173352680 /nfs/dbraw/zinc/35/26/80/173352680.db2.gz QYEXAFFLRMPYDI-UHFFFAOYSA-N 1 0 206.333 1.689 10 0 BDAERO C[NH2+]CCN(C)Cc1ccc2[nH]cnc2c1 ZINC000077327079 173353693 /nfs/dbraw/zinc/35/36/93/173353693.db2.gz XNAWSXNFYKCMND-UHFFFAOYSA-N 1 0 218.304 1.214 10 0 BDAERO C[NH2+]CCNc1ccc(C(=O)OC)cc1 ZINC000039087056 173356587 /nfs/dbraw/zinc/35/65/87/173356587.db2.gz SHYMWNSSVNWRNL-UHFFFAOYSA-N 1 0 208.261 1.105 10 0 BDAERO C[NH2+]CCOCCOc1ccccc1OC ZINC000041245737 173356962 /nfs/dbraw/zinc/35/69/62/173356962.db2.gz YGDSRKQGOXJKAE-UHFFFAOYSA-N 1 0 225.288 1.310 10 0 BDAERO C[NH2+]CC[C@H](C)n1cc(Br)cn1 ZINC000052577454 173358154 /nfs/dbraw/zinc/35/81/54/173358154.db2.gz ZCQUBNXGSPFUNG-ZETCQYMHSA-N 1 0 232.125 1.816 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1ccccc1 ZINC000077302203 173358924 /nfs/dbraw/zinc/35/89/24/173358924.db2.gz QCHWNZACTXSOSY-LBPRGKRZSA-N 1 0 208.305 1.093 10 0 BDAERO C[NH2+]CCc1nnc(-c2ccc(OC)cc2)o1 ZINC000050619666 173361935 /nfs/dbraw/zinc/36/19/35/173361935.db2.gz HTXMLLNRUQPYHM-UHFFFAOYSA-N 1 0 233.271 1.507 10 0 BDAERO C[NH2+]C[C@@H](C)Cn1cc(Br)cn1 ZINC000052577683 173364044 /nfs/dbraw/zinc/36/40/44/173364044.db2.gz LZYMRASNKCDECG-SSDOTTSWSA-N 1 0 232.125 1.501 10 0 BDAERO C[NH2+]C[C@@H](C)Sc1nc(C)cc(C)n1 ZINC000053624050 173364506 /nfs/dbraw/zinc/36/45/06/173364506.db2.gz QEZWDJOQOJXQOM-SECBINFHSA-N 1 0 211.334 1.793 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc(Br)cs1 ZINC000055027502 173365866 /nfs/dbraw/zinc/36/58/66/173365866.db2.gz YEAMGFQHEQMXLR-ZCFIWIBFSA-N 1 0 236.134 1.763 10 0 BDAERO C[NH2+]C[C@@H](O)c1nc2ccccc2s1 ZINC000082945484 173366149 /nfs/dbraw/zinc/36/61/49/173366149.db2.gz IACQCQNSTWKRFJ-MRVPVSSYSA-N 1 0 208.286 1.549 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1nccs1 ZINC000053706604 173367293 /nfs/dbraw/zinc/36/72/93/173367293.db2.gz OTMWPWGROCAMQC-VIFPVBQESA-N 1 0 211.334 1.721 10 0 BDAERO C[NH2+]C[C@@H]1CC[C@H](Cn2ncc3ccccc32)O1 ZINC000052574204 173371366 /nfs/dbraw/zinc/37/13/66/173371366.db2.gz UHCCOVSHLPVRRC-QWHCGFSZSA-N 1 0 245.326 1.803 10 0 BDAERO C[NH2+]C[C@@H]1CC[C@@H](Cn2cc(Cl)cn2)O1 ZINC000052577267 173371634 /nfs/dbraw/zinc/37/16/34/173371634.db2.gz OWUILADRVSUQFC-UWVGGRQHSA-N 1 0 229.711 1.304 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc(Br)cc1 ZINC000011803595 173372777 /nfs/dbraw/zinc/37/27/77/173372777.db2.gz WJPOEFHSGVINSC-SNVBAGLBSA-N 1 0 244.132 1.876 10 0 BDAERO C[NH2+]C[C@@]1(O)CCCc2cc(OC)ccc21 ZINC000055027398 173373693 /nfs/dbraw/zinc/37/36/93/173373693.db2.gz LCWHCCHCEJUTIG-ZDUSSCGKSA-N 1 0 221.300 1.439 10 0 BDAERO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1cccnc1 ZINC000086065685 173374942 /nfs/dbraw/zinc/37/49/42/173374942.db2.gz MDRGPVONMWMSQE-VHSXEESVSA-N 1 0 221.304 1.114 10 0 BDAERO C[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000019864744 173376629 /nfs/dbraw/zinc/37/66/29/173376629.db2.gz RUDCCPZRGNEEPQ-NSHDSACASA-N 1 0 223.316 1.769 10 0 BDAERO C[NH2+]C[C@H](O)Cc1ccc(Br)cc1 ZINC000041289841 173376647 /nfs/dbraw/zinc/37/66/47/173376647.db2.gz IZUDRHGMUUSSCY-SNVBAGLBSA-N 1 0 244.132 1.572 10 0 BDAERO C[NH2+]C[C@H](O)CSc1nc(C)cs1 ZINC000019865370 173376859 /nfs/dbraw/zinc/37/68/59/173376859.db2.gz MLDYFEAAGSWGSH-ZETCQYMHSA-N 1 0 218.347 1.124 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1nccs1 ZINC000053706606 173378707 /nfs/dbraw/zinc/37/87/07/173378707.db2.gz OTMWPWGROCAMQC-SECBINFHSA-N 1 0 211.334 1.721 10 0 BDAERO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccco2)C1 ZINC000053031204 173381641 /nfs/dbraw/zinc/38/16/41/173381641.db2.gz MIVYEMQRCJZDDO-WDEREUQCSA-N 1 0 208.305 1.882 10 0 BDAERO C[NH2+]Cc1c(-n2ccnc2)nc2ccccn21 ZINC000035449777 173384282 /nfs/dbraw/zinc/38/42/82/173384282.db2.gz NTWUSGXXFUUQBF-UHFFFAOYSA-N 1 0 227.271 1.239 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N1CCCC1 ZINC000034823016 173384756 /nfs/dbraw/zinc/38/47/56/173384756.db2.gz XJHSAFPRHUIDCB-UHFFFAOYSA-N 1 0 208.309 1.048 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1Sc1cnccn1 ZINC000104288688 173384948 /nfs/dbraw/zinc/38/49/48/173384948.db2.gz MASBHWCNMXMMAV-UHFFFAOYSA-N 1 0 249.343 1.389 10 0 BDAERO C[NH2+]Cc1cc(C)nc(-c2cccnc2)n1 ZINC000054830980 173385720 /nfs/dbraw/zinc/38/57/20/173385720.db2.gz XNSKOXFJWAAHMA-UHFFFAOYSA-N 1 0 214.272 1.566 10 0 BDAERO C[NH2+]Cc1ccc(O[C@H]2CCOC2)c(OC)c1 ZINC000070071558 173388980 /nfs/dbraw/zinc/38/89/80/173388980.db2.gz SVCAUYOOZJGRKJ-NSHDSACASA-N 1 0 237.299 1.582 10 0 BDAERO C[NH2+]Cc1cccc(OCCn2ccnc2C)c1 ZINC000049329432 173389476 /nfs/dbraw/zinc/38/94/76/173389476.db2.gz ZGAJCNUMVZHXIF-UHFFFAOYSA-N 1 0 245.326 1.990 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)c1cc(C)on1 ZINC000036280416 173390387 /nfs/dbraw/zinc/39/03/87/173390387.db2.gz ASZSDNYCBNIKDN-UHFFFAOYSA-N 1 0 245.282 1.955 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)Cn1cccn1 ZINC000036280386 173390677 /nfs/dbraw/zinc/39/06/77/173390677.db2.gz HEBPJKJHZYXZSD-UHFFFAOYSA-N 1 0 244.298 1.241 10 0 BDAERO C[NH2+]Cc1cccnc1N1CCCSCC1 ZINC000051520728 173391124 /nfs/dbraw/zinc/39/11/24/173391124.db2.gz PQHKQIGDQGHIEI-UHFFFAOYSA-N 1 0 237.372 1.744 10 0 BDAERO C[NH2+]Cc1cnn(Cc2ccc(C)cc2)c1 ZINC000040932535 173393616 /nfs/dbraw/zinc/39/36/16/173393616.db2.gz GDWZGECFHDSDRJ-UHFFFAOYSA-N 1 0 215.300 1.959 10 0 BDAERO C[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000053294117 173396877 /nfs/dbraw/zinc/39/68/77/173396877.db2.gz CLBQEFBJJIDTTR-UHFFFAOYSA-N 1 0 225.361 1.629 10 0 BDAERO C[NH2+]Cc1nccn1Cc1ccccc1F ZINC000051004535 173397196 /nfs/dbraw/zinc/39/71/96/173397196.db2.gz DYBIKHLEXCUDLF-UHFFFAOYSA-N 1 0 219.263 1.790 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H]1CCCC[C@H]1C ZINC000054745926 173398209 /nfs/dbraw/zinc/39/82/09/173398209.db2.gz TVYFEVVHVMZISK-RKDXNWHRSA-N 1 0 209.297 1.144 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc(F)c(Cl)c1 ZINC000054744988 173398622 /nfs/dbraw/zinc/39/86/22/173398622.db2.gz BBAVZLCURHFWCR-UHFFFAOYSA-N 1 0 241.657 1.174 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H]1CCCC[C@@H]1C ZINC000054745928 173398965 /nfs/dbraw/zinc/39/89/65/173398965.db2.gz TVYFEVVHVMZISK-DTWKUNHWSA-N 1 0 209.297 1.144 10 0 BDAERO C[NH2+][C@@H](CCO)c1ccc(OC)cc1OC ZINC000071532270 173423299 /nfs/dbraw/zinc/42/32/99/173423299.db2.gz GIOOCEOJVNVGLN-NSHDSACASA-N 1 0 225.288 1.347 10 0 BDAERO C[NH2+][C@@H]1CCN(c2cc(F)c(F)c(F)c2)C1 ZINC000061118316 173437031 /nfs/dbraw/zinc/43/70/31/173437031.db2.gz OLTIPOOMTGTMMA-SSDOTTSWSA-N 1 0 230.233 1.902 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1n1nc(C)c(C)c1C ZINC000044032795 173437328 /nfs/dbraw/zinc/43/73/28/173437328.db2.gz PDYOEGHEPZZWGA-NEPJUHHUSA-N 1 0 223.320 1.358 10 0 BDAERO C[NH2+][C@@H]1CCN(c2cccc(COC)c2)C1 ZINC000049508961 173437687 /nfs/dbraw/zinc/43/76/87/173437687.db2.gz TYVGHFJRHVKGFW-GFCCVEGCSA-N 1 0 220.316 1.631 10 0 BDAERO C[NH2+][C@H](CS(C)(=O)=O)C1CCCCC1 ZINC000052788886 173452650 /nfs/dbraw/zinc/45/26/50/173452650.db2.gz FTUDGYSUHNZKDN-SNVBAGLBSA-N 1 0 219.350 1.199 10 0 BDAERO C[NH2+][C@H](c1ccc2c(c1)NC(=O)CO2)[C@@H]1C[C@H]1C ZINC000035501783 173457561 /nfs/dbraw/zinc/45/75/61/173457561.db2.gz REIKUIUQYSUNCD-PJCOJXEDSA-N 1 0 246.310 1.934 10 0 BDAERO C[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1OC ZINC000044043274 173468679 /nfs/dbraw/zinc/46/86/79/173468679.db2.gz CVFMPDCTNDYNTF-STQMWFEESA-N 1 0 221.300 1.917 10 0 BDAERO COC(=O)CCCOCC[C@@H]1CCCC[NH2+]1 ZINC000074526144 173544327 /nfs/dbraw/zinc/54/43/27/173544327.db2.gz ZYZFFWJDXSUEST-NSHDSACASA-N 1 0 229.320 1.488 10 0 BDAERO COC(=O)CC[NH2+]Cc1ccc(C)c(C)c1 ZINC000037252201 173562257 /nfs/dbraw/zinc/56/22/57/173562257.db2.gz ZPSGMFRQSVGBOO-UHFFFAOYSA-N 1 0 221.300 1.956 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1Cc1ccccc1 ZINC000039941210 173823324 /nfs/dbraw/zinc/82/33/24/173823324.db2.gz LMVZEKLXVDVXNE-OLZOCXBDSA-N 1 0 233.311 1.628 10 0 BDAERO COC(=O)c1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC000077330534 173882249 /nfs/dbraw/zinc/88/22/49/173882249.db2.gz AMXILFZUXYTLPL-SNVBAGLBSA-N 1 0 220.272 1.011 10 0 BDAERO COC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000058041777 173891490 /nfs/dbraw/zinc/89/14/90/173891490.db2.gz FRXJKLTTZKCUKE-UHFFFAOYSA-N 1 0 232.283 1.777 10 0 BDAERO COC1CC([NH2+]C[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC000309961487 174019074 /nfs/dbraw/zinc/01/90/74/174019074.db2.gz LJAIJMSOHOGVJZ-YWPUVAFDSA-N 1 0 227.348 1.815 10 0 BDAERO COC1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000037265846 174030506 /nfs/dbraw/zinc/03/05/06/174030506.db2.gz AJJUHDYNDZPDHF-GFCCVEGCSA-N 1 0 240.372 1.859 10 0 BDAERO COCCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000103225465 174180108 /nfs/dbraw/zinc/18/01/08/174180108.db2.gz YWUOXOOAVQLVSB-VXGBXAGGSA-N 1 0 215.337 1.912 10 0 BDAERO COCCCCNC(=O)[C@@H]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000055138265 174197602 /nfs/dbraw/zinc/19/76/02/174197602.db2.gz SKZMLDKBCGIBEE-TUAOUCFPSA-N 1 0 242.363 1.293 10 0 BDAERO COCCCN(C)c1[nH+]c(C)cc(C)c1CO ZINC000062033444 174219814 /nfs/dbraw/zinc/21/98/14/174219814.db2.gz SXICOKGAZQFYKV-UHFFFAOYSA-N 1 0 238.331 1.663 10 0 BDAERO COCCC[NH2+][C@H](C)CC(C)(C)OC ZINC000034963719 174250056 /nfs/dbraw/zinc/25/00/56/174250056.db2.gz VFINEQANTSZXPS-SNVBAGLBSA-N 1 0 203.326 1.816 10 0 BDAERO COCCCOCc1ccc(C(N)=[NH2+])cc1F ZINC000037747435 174254850 /nfs/dbraw/zinc/25/48/50/174254850.db2.gz GVNCPJBPYPHKAX-UHFFFAOYSA-N 1 0 240.278 1.663 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000041241212 174282298 /nfs/dbraw/zinc/28/22/98/174282298.db2.gz XCYNDKTYDFJUJH-ZDUSSCGKSA-N 1 0 222.332 1.573 10 0 BDAERO COCC[N@H+](C)[C@H]1CNc2ccccc2C1 ZINC000042459412 174283706 /nfs/dbraw/zinc/28/37/06/174283706.db2.gz LOEUJEQHZYOFDQ-GFCCVEGCSA-N 1 0 220.316 1.601 10 0 BDAERO COCCN(CC(C)C)C(=O)C1([NH3+])CCCC1 ZINC000037809137 174286795 /nfs/dbraw/zinc/28/67/95/174286795.db2.gz PLRLSXVIDIQBLL-UHFFFAOYSA-N 1 0 242.363 1.389 10 0 BDAERO COCCN(C[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000042519634 174297774 /nfs/dbraw/zinc/29/77/74/174297774.db2.gz IWTODOHSHDSANR-CQSZACIVSA-N 1 0 248.370 1.667 10 0 BDAERO COCC[N@@H+]1CC(C)(C)NC[C@H]1CC(C)C ZINC000062614000 174304143 /nfs/dbraw/zinc/30/41/43/174304143.db2.gz UWMFRWBUMRTAKA-GFCCVEGCSA-N 1 0 228.380 1.731 10 0 BDAERO COCC[N@@H+]1CCN(Cc2ccco2)C[C@H]1C ZINC000120776378 174309656 /nfs/dbraw/zinc/30/96/56/174309656.db2.gz MHFDXVMOWARSFY-GFCCVEGCSA-N 1 0 238.331 1.432 10 0 BDAERO COCC[NH2+]CCN1CCCc2ccccc2C1 ZINC000062945812 174332126 /nfs/dbraw/zinc/33/21/26/174332126.db2.gz CVWLQXMOKCEMIN-UHFFFAOYSA-N 1 0 248.370 1.671 10 0 BDAERO COCC[NH2+]C[C@@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000037849308 174333061 /nfs/dbraw/zinc/33/30/61/174333061.db2.gz DGQXSWOOUKILCE-YNEHKIRRSA-N 1 0 245.363 1.179 10 0 BDAERO COCC[NH2+]C[C@H](O)c1ccc(C)c(C)c1 ZINC000049819402 174334143 /nfs/dbraw/zinc/33/41/43/174334143.db2.gz SMQCNQAWOHLQPD-ZDUSSCGKSA-N 1 0 223.316 1.573 10 0 BDAERO COCC[NH2+]C[C@](C)(O)c1ccccc1OC ZINC000033468619 174334176 /nfs/dbraw/zinc/33/41/76/174334176.db2.gz GFKQWTRNJAEBAU-ZDUSSCGKSA-N 1 0 239.315 1.139 10 0 BDAERO COCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000032015840 174334569 /nfs/dbraw/zinc/33/45/69/174334569.db2.gz PXSBKAWMNHIZKP-NSHDSACASA-N 1 0 229.707 1.609 10 0 BDAERO COCC[NH2+]C[C@H](O)COC1CCC(C)CC1 ZINC000037849375 174334913 /nfs/dbraw/zinc/33/49/13/174334913.db2.gz CGCUTZZXDBPMOE-CPCZMJQVSA-N 1 0 245.363 1.179 10 0 BDAERO COCC[NH2+]Cc1c(C)nc(C(C)C)nc1C ZINC000054854568 174334987 /nfs/dbraw/zinc/33/49/87/174334987.db2.gz BNAOSVDXAGXARL-UHFFFAOYSA-N 1 0 237.347 1.953 10 0 BDAERO COCC[NH2+]C[C@@]1(C[C@@H]2CCCO2)CCOC1 ZINC000054666653 174334990 /nfs/dbraw/zinc/33/49/90/174334990.db2.gz XDAOJMLGHHQUAC-STQMWFEESA-N 1 0 243.347 1.198 10 0 BDAERO COCC[NH2+]Cc1nc2ccc(F)cc2n1C ZINC000104313556 174337080 /nfs/dbraw/zinc/33/70/80/174337080.db2.gz POGUMPHDHZBYCD-UHFFFAOYSA-N 1 0 237.278 1.448 10 0 BDAERO COCC[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020085587 174340132 /nfs/dbraw/zinc/34/01/32/174340132.db2.gz IUUQXAORIXHPTL-MRVPVSSYSA-N 1 0 235.287 1.153 10 0 BDAERO COCCOCc1cc(C[NH2+]CC(C)C)no1 ZINC000052628227 174364277 /nfs/dbraw/zinc/36/42/77/174364277.db2.gz AZZPMMPIHYFQTJ-UHFFFAOYSA-N 1 0 242.319 1.583 10 0 BDAERO COCCOc1ccc(OC)cc1C[C@H](C)[NH3+] ZINC000037722614 174368274 /nfs/dbraw/zinc/36/82/74/174368274.db2.gz HLJFEQAZRJKINF-JTQLQIEISA-N 1 0 239.315 1.610 10 0 BDAERO COCCOc1cccc(C[NH2+]CC(C)C)n1 ZINC000051526747 174369793 /nfs/dbraw/zinc/36/97/93/174369793.db2.gz JSPHPROCWWLIDG-UHFFFAOYSA-N 1 0 238.331 1.852 10 0 BDAERO COCC[C@@H](C)[NH2+]Cc1ccnc(C)n1 ZINC000045037466 174384542 /nfs/dbraw/zinc/38/45/42/174384542.db2.gz IOBABZLKHAOSCL-SECBINFHSA-N 1 0 209.293 1.300 10 0 BDAERO COCC[C@@H]([NH3+])c1nc(-c2ccncc2)c[nH]1 ZINC000052811238 174393248 /nfs/dbraw/zinc/39/32/48/174393248.db2.gz YMENYTHAEWMAPL-SNVBAGLBSA-N 1 0 232.287 1.508 10 0 BDAERO COCC[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000081119541 174398538 /nfs/dbraw/zinc/39/85/38/174398538.db2.gz VQEFIDZUOYBKBU-SNVBAGLBSA-N 1 0 244.335 1.232 10 0 BDAERO COCc1ccccc1NC1CC[NH2+]CC1 ZINC000038040938 174635068 /nfs/dbraw/zinc/63/50/68/174635068.db2.gz NYVZGDOXBVTPRK-UHFFFAOYSA-N 1 0 220.316 1.997 10 0 BDAERO COCc1cnc(C[NH2+][C@H]2CCO[C@H]2C)s1 ZINC000348189599 174636893 /nfs/dbraw/zinc/63/68/93/174636893.db2.gz ORDWQZMERRHKIG-WPRPVWTQSA-N 1 0 242.344 1.557 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](O)CC(C)(C)C ZINC000225811855 487629205 /nfs/dbraw/zinc/62/92/05/487629205.db2.gz NAKPDMPXMLATOU-MNOVXSKESA-N 1 0 244.379 1.273 10 0 BDAERO COc1cc(NC2CC[NH+](C)CC2)ccc1N ZINC000104250619 175001399 /nfs/dbraw/zinc/00/13/99/175001399.db2.gz UZTKXTGYYCRCBW-UHFFFAOYSA-N 1 0 235.331 1.784 10 0 BDAERO COc1cc(OC)c([C@H]2C[C@@H]2C[NH3+])cc1OC ZINC000054586830 175007690 /nfs/dbraw/zinc/00/76/90/175007690.db2.gz FGOCTTJENQYEJA-BDAKNGLRSA-N 1 0 237.299 1.775 10 0 BDAERO COc1cc(OC)c([C@H](C)[NH3+])c(OC)c1 ZINC000019967905 175007961 /nfs/dbraw/zinc/00/79/61/175007961.db2.gz KJYGENJQDJPUEK-ZETCQYMHSA-N 1 0 211.261 1.732 10 0 BDAERO COc1cc([C@@H](O)C[NH2+]C(C)C)ccc1O ZINC000001846037 175015045 /nfs/dbraw/zinc/01/50/45/175015045.db2.gz XXCCGRRUBBGZRE-NSHDSACASA-N 1 0 225.288 1.432 10 0 in-man BDAERO COc1cc([C@H]([NH3+])CCO)cc(OC)c1OC ZINC000019784063 175016587 /nfs/dbraw/zinc/01/65/87/175016587.db2.gz ATIOELRQUMZKCZ-SECBINFHSA-N 1 0 241.287 1.095 10 0 BDAERO COc1cc(C[C@@H](C)[NH3+])c2c(c1)CCCO2 ZINC000005528909 175019509 /nfs/dbraw/zinc/01/95/09/175019509.db2.gz JFNZJASSBFVDDX-SECBINFHSA-N 1 0 221.300 1.910 10 0 BDAERO COc1cc2c(c(OC)c1OC)CC[C@@H]2[NH3+] ZINC000042405085 175020070 /nfs/dbraw/zinc/02/00/70/175020070.db2.gz VPBSMAZAIQHQIW-VIFPVBQESA-N 1 0 223.272 1.658 10 0 BDAERO COc1cc2c(c3c1OCO3)[C@H](C)[N@H+](C)CC2 ZINC000002017925 175020941 /nfs/dbraw/zinc/02/09/41/175020941.db2.gz PNFBXEKHLUDPIM-QMMMGPOBSA-N 1 0 235.283 1.973 10 0 biogenic,in-vitro BDAERO COc1cc2c(cc1C)CCC[C@H]([NH3+])C2=O ZINC000039110178 175021896 /nfs/dbraw/zinc/02/18/96/175021896.db2.gz FRRHJTAQJBZULD-NSHDSACASA-N 1 0 219.284 1.850 10 0 BDAERO COc1ccc(-c2nccc(C[NH3+])n2)cc1 ZINC000045206114 175040741 /nfs/dbraw/zinc/04/07/41/175040741.db2.gz CFWYTPFJURCRRM-UHFFFAOYSA-N 1 0 215.256 1.611 10 0 BDAERO COc1ccc(-c2noc3c2C[NH2+]CC3)cc1 ZINC000012957017 175043238 /nfs/dbraw/zinc/04/32/38/175043238.db2.gz VBGOCULLYKUKKQ-UHFFFAOYSA-N 1 0 230.267 1.996 10 0 BDAERO COc1ccc(-n2cncc2C[NH3+])cc1OC ZINC000076679867 175045113 /nfs/dbraw/zinc/04/51/13/175045113.db2.gz HFUGBMDTMZDUBJ-UHFFFAOYSA-N 1 0 233.271 1.348 10 0 BDAERO COc1ccc(-n2cncc2CC[NH3+])cc1 ZINC000076646312 175045151 /nfs/dbraw/zinc/04/51/51/175045151.db2.gz GTHCFQBIDACPKH-UHFFFAOYSA-N 1 0 217.272 1.382 10 0 BDAERO COc1ccc(Br)cc1NCC[NH3+] ZINC000082609870 175051550 /nfs/dbraw/zinc/05/15/50/175051550.db2.gz USTBMZGJSHWXGF-UHFFFAOYSA-N 1 0 245.120 1.828 10 0 BDAERO COc1ccc(C(=O)CCC[NH3+])c(C)c1 ZINC000075484181 175054049 /nfs/dbraw/zinc/05/40/49/175054049.db2.gz SNVNILMDWBOMLH-UHFFFAOYSA-N 1 0 207.273 1.925 10 0 BDAERO COc1ccc(C(=O)N(C)[C@@H](C)CC[NH3+])cc1 ZINC000063085665 175054691 /nfs/dbraw/zinc/05/46/91/175054691.db2.gz UAVKHLGNSRBFKP-JTQLQIEISA-N 1 0 236.315 1.505 10 0 BDAERO COc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038048835 175063629 /nfs/dbraw/zinc/06/36/29/175063629.db2.gz QZRFZQRYELXVSW-OLZOCXBDSA-N 1 0 248.326 1.695 10 0 BDAERO COc1ccc(C)cc1C(=O)N1CCC([NH3+])CC1 ZINC000052943275 175072848 /nfs/dbraw/zinc/07/28/48/175072848.db2.gz AKBZDLANHIVPEK-UHFFFAOYSA-N 1 0 248.326 1.567 10 0 BDAERO COc1ccc(C)cc1-n1cc(C[NH3+])nn1 ZINC000050224110 175073389 /nfs/dbraw/zinc/07/33/89/175073389.db2.gz MYAQXMUKXJZGID-UHFFFAOYSA-N 1 0 218.260 1.043 10 0 BDAERO COc1ccc(C)cc1C[C@H]1C[NH2+]CCC1=O ZINC000071536920 175077124 /nfs/dbraw/zinc/07/71/24/175077124.db2.gz MRXYCYVGVYVAAY-LBPRGKRZSA-N 1 0 233.311 1.725 10 0 BDAERO COc1ccc(C)cc1[C@@H](O)[C@H]1CCC[NH2+]1 ZINC000032013948 175080416 /nfs/dbraw/zinc/08/04/16/175080416.db2.gz ACRXLYJEYFNBLV-DGCLKSJQSA-N 1 0 221.300 1.789 10 0 BDAERO COc1ccc(CCN(C)CC[NH3+])cc1OC ZINC000049829377 175089366 /nfs/dbraw/zinc/08/93/66/175089366.db2.gz RCYQJSASQWXACC-UHFFFAOYSA-N 1 0 238.331 1.137 10 0 BDAERO COc1ccc(CCOCC[NH3+])c(OC)c1 ZINC000057953012 175092867 /nfs/dbraw/zinc/09/28/67/175092867.db2.gz WVIFQAITORMGNT-UHFFFAOYSA-N 1 0 225.288 1.222 10 0 BDAERO COc1ccc(C[C@@H](C)[NH2+]Cc2nnc[nH]2)cc1 ZINC000037919646 175115613 /nfs/dbraw/zinc/11/56/13/175115613.db2.gz BHGTUVFJQINUSW-SNVBAGLBSA-N 1 0 246.314 1.534 10 0 BDAERO COc1ccc(C[C@H](O)[C@@H]2CCC[NH2+]2)cc1F ZINC000041281776 175117050 /nfs/dbraw/zinc/11/70/50/175117050.db2.gz YLYHLDISLFBPOU-RYUDHWBXSA-N 1 0 239.290 1.490 10 0 BDAERO COc1ccc(Cl)cc1C(=O)[C@@H](C)[NH3+] ZINC000036159031 175120303 /nfs/dbraw/zinc/12/03/03/175120303.db2.gz NWPVQHHBFAQZES-ZCFIWIBFSA-N 1 0 213.664 1.879 10 0 BDAERO COc1ccc(Cl)cc1[C@H](O)CC[NH3+] ZINC000036159315 175123023 /nfs/dbraw/zinc/12/30/23/175123023.db2.gz KKCSHZDEMKHFGG-SECBINFHSA-N 1 0 215.680 1.731 10 0 BDAERO COc1ccc(F)cc1NC(=O)[C@H](C)[NH3+] ZINC000083930586 175131573 /nfs/dbraw/zinc/13/15/73/175131573.db2.gz ZXYUPYDFPKRXKV-LURJTMIESA-N 1 0 212.224 1.120 10 0 BDAERO COc1ccc(F)cc1[C@H]([NH3+])[C@@H]1CCOC1 ZINC000048622929 175134670 /nfs/dbraw/zinc/13/46/70/175134670.db2.gz LIABPGZZEOEISV-PRHODGIISA-N 1 0 225.263 1.871 10 0 BDAERO COc1ccc(NC(=O)C[C@H](C)[NH3+])cc1C ZINC000049532019 175142156 /nfs/dbraw/zinc/14/21/56/175142156.db2.gz UXBPHTQRKFXLOW-VIFPVBQESA-N 1 0 222.288 1.679 10 0 BDAERO COc1ccc(NC[C@@H]2CCC[NH2+]2)cc1OC ZINC000041270944 175151872 /nfs/dbraw/zinc/15/18/72/175151872.db2.gz BJHAZVYGDNINQJ-NSHDSACASA-N 1 0 236.315 1.868 10 0 BDAERO COc1ccc(OC)c(CC[C@H](C)[NH3+])c1 ZINC000011631322 175165703 /nfs/dbraw/zinc/16/57/03/175165703.db2.gz OFBBQEMYFASANF-VIFPVBQESA-N 1 0 209.289 1.984 10 0 BDAERO COc1ccc(OC)c([C@@H](CC[NH3+])N(C)C)c1 ZINC000019673461 175167166 /nfs/dbraw/zinc/16/71/66/175167166.db2.gz HQOWFAIGJAXWRX-GFCCVEGCSA-N 1 0 238.331 1.655 10 0 BDAERO COc1ccc(OC)c([C@@](C)([NH3+])CCO)c1 ZINC000082540095 175168059 /nfs/dbraw/zinc/16/80/59/175168059.db2.gz GHPMZVZMHUIRDK-LBPRGKRZSA-N 1 0 225.288 1.260 10 0 BDAERO COc1ccc(OC)c([C@H](C[NH3+])NC2CC2)c1 ZINC000050271236 175168998 /nfs/dbraw/zinc/16/89/98/175168998.db2.gz VCAIIDDMACLMLJ-LBPRGKRZSA-N 1 0 236.315 1.456 10 0 BDAERO COc1ccc(OCCC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000041303422 175171626 /nfs/dbraw/zinc/17/16/26/175171626.db2.gz XZGLLWHGTJWLFB-CYBMUJFWSA-N 1 0 249.310 1.785 10 0 BDAERO COc1ccc([C@@H](C)[NH3+])cc1Cn1cncn1 ZINC000037642512 175176410 /nfs/dbraw/zinc/17/64/10/175176410.db2.gz LDVXRSSCPBMFSC-SECBINFHSA-N 1 0 232.287 1.355 10 0 BDAERO COc1ccc([C@@H](O)C[NH3+])cc1OCC(C)C ZINC000033468637 175180781 /nfs/dbraw/zinc/18/07/81/175180781.db2.gz RJWTUMJNBAHMSZ-NSHDSACASA-N 1 0 239.315 1.722 10 0 BDAERO COc1ccc([C@@H](O)[C@@H](C)[NH3+])cc1Cl ZINC000071519475 175181171 /nfs/dbraw/zinc/18/11/71/175181171.db2.gz QRVGVTNWPNIGBJ-LDWIPMOCSA-N 1 0 215.680 1.729 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C)O2)cc1 ZINC000032011712 175183597 /nfs/dbraw/zinc/18/35/97/175183597.db2.gz IIBBIKJONCCHEH-SKDRFNHKSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CCCO2)c(OC)c1 ZINC000035598853 175183757 /nfs/dbraw/zinc/18/37/57/175183757.db2.gz DEIWVRUJUBIUBP-ZDUSSCGKSA-N 1 0 237.299 1.755 10 0 BDAERO COc1ccc([C@H]([NH3+])C[C@@H](C)CC(N)=O)cc1 ZINC000061830006 175192200 /nfs/dbraw/zinc/19/22/00/175192200.db2.gz DFAXQPDGMLNDET-BXKDBHETSA-N 1 0 236.315 1.597 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCCO2)cc1F ZINC000035598886 175195751 /nfs/dbraw/zinc/19/57/51/175195751.db2.gz HJMPQTVQWRCCDN-GFCCVEGCSA-N 1 0 225.263 1.885 10 0 BDAERO COc1ccc([C@H]2C[C@]2(C[NH3+])CO)cc1C ZINC000070500458 175198146 /nfs/dbraw/zinc/19/81/46/175198146.db2.gz CXWFALREAJPTML-YPMHNXCESA-N 1 0 221.300 1.428 10 0 BDAERO COc1ccc([C@]2(C)C[C@@H]2[NH3+])c(OC)c1 ZINC000052126405 175200378 /nfs/dbraw/zinc/20/03/78/175200378.db2.gz QXFPBWXQBCMCNL-RYUDHWBXSA-N 1 0 207.273 1.693 10 0 BDAERO COc1ccc2[nH]cc([C@@H]3C[C@@H]3[NH3+])c2c1 ZINC000013782226 175203237 /nfs/dbraw/zinc/20/32/37/175203237.db2.gz QAYBFLBZFYNCJH-KWQFWETISA-N 1 0 202.257 1.991 10 0 BDAERO COc1ccc2c(c1)CCN1CC[NH2+]C[C@@H]21 ZINC000019788462 175209231 /nfs/dbraw/zinc/20/92/31/175209231.db2.gz QXZGJWUEOVJBBU-ZDUSSCGKSA-N 1 0 218.300 1.198 10 0 BDAERO COc1ccc2c(c1)CC[C@H]2NC(N)=[NH2+] ZINC000169323206 175209730 /nfs/dbraw/zinc/20/97/30/175209730.db2.gz GAUOSQWYVHVVHK-SNVBAGLBSA-N 1 0 205.261 1.166 10 0 BDAERO COc1ccc2c(c1)[C@@H]([NH2+]CCO)CCO2 ZINC000037250656 175214182 /nfs/dbraw/zinc/21/41/82/175214182.db2.gz MCYFVLPTOYUBPK-NSHDSACASA-N 1 0 223.272 1.101 10 0 BDAERO COc1ccc2c(c1OC)C[C@H]([NH+](C)C)C2 ZINC000029224557 175222791 /nfs/dbraw/zinc/22/27/91/175222791.db2.gz YVMMRWDYSURUQY-SNVBAGLBSA-N 1 0 221.300 1.733 10 0 BDAERO COc1ccc2cc(C[C@@H](C[NH3+])CO)ccc2c1 ZINC000019264990 175225046 /nfs/dbraw/zinc/22/50/46/175225046.db2.gz NLOWRNIVENDFLU-LBPRGKRZSA-N 1 0 245.322 1.958 10 0 BDAERO COc1ccc2ncn([C@@H]3CCC[NH2+]C3)c2c1 ZINC000215810446 175229701 /nfs/dbraw/zinc/22/97/01/175229701.db2.gz KVUDSJIAMPAXMD-SNVBAGLBSA-N 1 0 231.299 1.969 10 0 BDAERO COc1cccc(-c2nc(C[C@H](C)[NH3+])no2)c1 ZINC000054161319 175236535 /nfs/dbraw/zinc/23/65/35/175236535.db2.gz VKARDVPBOZRFEA-QMMMGPOBSA-N 1 0 233.271 1.635 10 0 BDAERO COc1cccc(C(=O)[C@H]([NH3+])C(C)C)c1 ZINC000071510313 175247276 /nfs/dbraw/zinc/24/72/76/175247276.db2.gz GPXIOCMRGUDUPH-LLVKDONJSA-N 1 0 207.273 1.861 10 0 BDAERO COc1cccc(CCN2C[C@@H](C[NH3+])CC2=O)c1 ZINC000019669386 175251455 /nfs/dbraw/zinc/25/14/55/175251455.db2.gz CRXDFKUODURJIU-GFCCVEGCSA-N 1 0 248.326 1.045 10 0 BDAERO COc1cccc(C[NH3+])c1OCC1CC1 ZINC000036765260 175256535 /nfs/dbraw/zinc/25/65/35/175256535.db2.gz SBQGCMZKTGLOIM-UHFFFAOYSA-N 1 0 207.273 1.943 10 0 BDAERO COc1cccc(NC(=O)[C@@H](C)CC[NH3+])c1 ZINC000076611138 175277386 /nfs/dbraw/zinc/27/73/86/175277386.db2.gz HCUMCHPUKCQAAH-VIFPVBQESA-N 1 0 222.288 1.619 10 0 BDAERO COc1cccc([C@@](O)([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784490 175291713 /nfs/dbraw/zinc/29/17/13/175291713.db2.gz FYHDDOJBBLPKOM-XCBNKYQSSA-N 1 0 249.232 1.792 10 0 BDAERO COc1cccc([C@H](O)C[C@@H]2CC[NH2+]C2)c1 ZINC000134127671 175295189 /nfs/dbraw/zinc/29/51/89/175295189.db2.gz MQVNHHXGWCBFIB-GXFFZTMASA-N 1 0 221.300 1.728 10 0 BDAERO COc1ccccc1C(=O)CN1CCC[NH2+]CC1 ZINC000041301228 175316361 /nfs/dbraw/zinc/31/63/61/175316361.db2.gz TVENOAWKQBFEQA-UHFFFAOYSA-N 1 0 248.326 1.173 10 0 BDAERO COc1ccccc1C(=O)C[NH2+]C1CC1 ZINC000041613772 175316989 /nfs/dbraw/zinc/31/69/89/175316989.db2.gz MYZJGIPMQOQAFX-UHFFFAOYSA-N 1 0 205.257 1.630 10 0 BDAERO COc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063173898 175318734 /nfs/dbraw/zinc/31/87/34/175318734.db2.gz VSOCAJATJFTRCY-WDEREUQCSA-N 1 0 234.299 1.305 10 0 BDAERO COc1ccccc1C(=O)[C@H]([NH3+])C(C)C ZINC000032011733 175319732 /nfs/dbraw/zinc/31/97/32/175319732.db2.gz XLVGCWZOCPMTNY-LLVKDONJSA-N 1 0 207.273 1.861 10 0 BDAERO COc1ccccc1C[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000041266089 175332928 /nfs/dbraw/zinc/33/29/28/175332928.db2.gz RTCNRSXTKBKSSD-QWHCGFSZSA-N 1 0 235.327 1.598 10 0 BDAERO COc1ccccc1C[C@@](C)(CN)[NH2+]C(C)C ZINC000050271016 175333160 /nfs/dbraw/zinc/33/31/60/175333160.db2.gz IHMIFTWMDXWZMZ-AWEZNQCLSA-N 1 0 236.359 1.953 10 0 BDAERO COc1ccccc1N1CCC[C@H]1C[NH3+] ZINC000020439479 175336126 /nfs/dbraw/zinc/33/61/26/175336126.db2.gz AQOXGOVEMZWHIE-JTQLQIEISA-N 1 0 206.289 1.623 10 0 BDAERO COc1ccccc1OC[C@](C)(C[NH3+])N(C)C ZINC000019667441 175341982 /nfs/dbraw/zinc/34/19/82/175341982.db2.gz IZNQLNOBWGMEGX-ZDUSSCGKSA-N 1 0 238.331 1.353 10 0 BDAERO COc1ccccc1[C@@H]([NH3+])Cn1ccccc1=O ZINC000023068078 175347190 /nfs/dbraw/zinc/34/71/90/175347190.db2.gz RKHGXZTUXZMEOP-LBPRGKRZSA-N 1 0 244.294 1.557 10 0 BDAERO COc1ccccc1[C@@H]([NH2+]C1CCCC1)C(N)=O ZINC000037968852 175347565 /nfs/dbraw/zinc/34/75/65/175347565.db2.gz KPSDJLHBVKDQLW-CYBMUJFWSA-N 1 0 248.326 1.754 10 0 BDAERO COc1ccccc1[C@@]1(C)OC[C@H](C[NH3+])O1 ZINC000049819278 175350042 /nfs/dbraw/zinc/35/00/42/175350042.db2.gz KBBQTCXLMPGZKN-CABZTGNLSA-N 1 0 223.272 1.242 10 0 BDAERO COc1ccccc1[C@@](O)(C[NH3+])C(F)(F)F ZINC000062784305 175350360 /nfs/dbraw/zinc/35/03/60/175350360.db2.gz ZWTLAJIXEVPCOY-VIFPVBQESA-N 1 0 235.205 1.404 10 0 BDAERO COc1ccccc1[C@](C)(O)C[NH2+]C1CC1 ZINC000032013927 175356065 /nfs/dbraw/zinc/35/60/65/175356065.db2.gz UVBUVMKCZHHAAO-CYBMUJFWSA-N 1 0 221.300 1.655 10 0 BDAERO COc1ccccc1[S@@](=O)C[C@@H]1CC[NH2+]C1 ZINC000083319637 175356234 /nfs/dbraw/zinc/35/62/34/175356234.db2.gz WZWKTGFIKAAJEF-QLJPJBMISA-N 1 0 239.340 1.412 10 0 BDAERO COc1ccccc1[S@@](=O)[C@H]1CCC[NH2+]C1 ZINC000083319588 175356566 /nfs/dbraw/zinc/35/65/66/175356566.db2.gz AWHWDSCGJQMIDB-MGPLVRAMSA-N 1 0 239.340 1.555 10 0 BDAERO COc1ccnc(C[NH2+]C2CC2)c1OC ZINC000058824400 175360001 /nfs/dbraw/zinc/36/00/01/175360001.db2.gz XLLLDLVUZYVMCZ-UHFFFAOYSA-N 1 0 208.261 1.351 10 0 BDAERO COc1nc(C)c([C@@H]2CCC[NH2+]C2)s1 ZINC000082965265 175389236 /nfs/dbraw/zinc/38/92/36/175389236.db2.gz OTLOUHSFLAIEQN-MRVPVSSYSA-N 1 0 212.318 1.927 10 0 BDAERO CSCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172103123 175497770 /nfs/dbraw/zinc/49/77/70/175497770.db2.gz ZSLTXEMBRDSCPN-JTQLQIEISA-N 1 0 225.361 1.572 10 0 BDAERO C[C@@H](C(=O)N(C)C)N(C)c1cccc(C[NH3+])c1 ZINC000061951352 175599398 /nfs/dbraw/zinc/59/93/98/175599398.db2.gz KTVSSAHHICJMNR-JTQLQIEISA-N 1 0 235.331 1.058 10 0 BDAERO C[C@@H](CCC1CC1)[NH2+]CCn1cncn1 ZINC000336761171 175661408 /nfs/dbraw/zinc/66/14/08/175661408.db2.gz MZLZRRPJNFCLOT-JTQLQIEISA-N 1 0 208.309 1.446 10 0 BDAERO C[C@@H](C[NH3+])C(=O)Nc1cc(F)ccc1F ZINC000044798415 175706422 /nfs/dbraw/zinc/70/64/22/175706422.db2.gz CIESIVAOKXHGGU-LURJTMIESA-N 1 0 214.215 1.498 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)CSC(C)(C)C ZINC000063170719 175805023 /nfs/dbraw/zinc/80/50/23/175805023.db2.gz JOSZRMKCTWQGOV-MRVPVSSYSA-N 1 0 218.366 1.372 10 0 BDAERO C[C@@H]([NH3+])Cc1cnn(Cc2ccccc2)c1 ZINC000054741332 175808246 /nfs/dbraw/zinc/80/82/46/175808246.db2.gz PCUHNOBTNDRJAD-LLVKDONJSA-N 1 0 215.300 1.821 10 0 BDAERO C[C@@H](NC(=O)C(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000035690084 175824472 /nfs/dbraw/zinc/82/44/72/175824472.db2.gz SVTDALANECIIJC-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@@H](NC(=O)C1([NH3+])CCCC1)C1CCCC1 ZINC000069805789 175825293 /nfs/dbraw/zinc/82/52/93/175825293.db2.gz MGRLLLQKGJPPFJ-SNVBAGLBSA-N 1 0 224.348 1.953 10 0 BDAERO C[C@@H](NC(=O)CCCCC[NH3+])c1ccncc1 ZINC000035693651 175829889 /nfs/dbraw/zinc/82/98/89/175829889.db2.gz FDDXSADUCPLYCA-LLVKDONJSA-N 1 0 235.331 1.778 10 0 BDAERO C[C@@H](NC(=O)c1ccccc1O)[C@@H]1CCCC[NH2+]1 ZINC000035690658 175850468 /nfs/dbraw/zinc/85/04/68/175850468.db2.gz MVJHWEODNNBDHR-PWSUYJOCSA-N 1 0 248.326 1.653 10 0 BDAERO C[C@@H]([NH2+]CC1CCCC1)C(=O)N1CCCC1 ZINC000037251922 175870031 /nfs/dbraw/zinc/87/00/31/175870031.db2.gz PLOBIWVKFMZZFM-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@@H](O)c1ccccc1NC1CC[NH2+]CC1 ZINC000049543213 175999931 /nfs/dbraw/zinc/99/99/31/175999931.db2.gz BSDWJUKYVHHNJP-SNVBAGLBSA-N 1 0 220.316 1.904 10 0 BDAERO C[C@@H](O)c1ccccc1N[C@H]1CC[N@H+](C)C1 ZINC000061989646 176000096 /nfs/dbraw/zinc/00/00/96/176000096.db2.gz GWGJQCZQHOYYGZ-MNOVXSKESA-N 1 0 220.316 1.856 10 0 BDAERO C[C@@H](O[C@H]1CC[NH2+]C1)C(=O)NC1CCCCC1 ZINC000051782286 176004284 /nfs/dbraw/zinc/00/42/84/176004284.db2.gz NPVVNKPLJDJXQT-PWSUYJOCSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@H](c1ccccc1F)N1C[C@@H]([NH3+])CC1=O ZINC000049531916 176024638 /nfs/dbraw/zinc/02/46/38/176024638.db2.gz QCTWODCKFIOEOA-IUCAKERBSA-N 1 0 222.263 1.446 10 0 BDAERO C[C@@H](c1nccs1)N(C)[C@@H]1CC[NH2+]C1 ZINC000083143916 176039641 /nfs/dbraw/zinc/03/96/41/176039641.db2.gz RQFOXRXVMIGNKX-DTWKUNHWSA-N 1 0 211.334 1.498 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1C(=O)C[C@@H](C)C1=O ZINC000038051955 176049416 /nfs/dbraw/zinc/04/94/16/176049416.db2.gz CNZJAPUNDCWFKL-RKDXNWHRSA-N 1 0 232.283 1.606 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@]([NH2+]C2CC2)(C(N)=O)C1 ZINC000037870353 176052521 /nfs/dbraw/zinc/05/25/21/176052521.db2.gz VVRANXYRMGWSPZ-NOZJJQNGSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C[C@@H](C)O1 ZINC000339160909 176055470 /nfs/dbraw/zinc/05/54/70/176055470.db2.gz NQZAZPKYXSCYHP-DNRKLUKYSA-N 1 0 240.347 1.199 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccnc1 ZINC000062355376 176072685 /nfs/dbraw/zinc/07/26/85/176072685.db2.gz GBLGCQBLXGKQBW-YPMHNXCESA-N 1 0 220.316 1.989 10 0 BDAERO C[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000054290507 176092450 /nfs/dbraw/zinc/09/24/50/176092450.db2.gz LOGSIDOEKLXXOF-VXGBXAGGSA-N 1 0 224.348 1.635 10 0 BDAERO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1N ZINC000037909673 176108452 /nfs/dbraw/zinc/10/84/52/176108452.db2.gz PUCDNQGPVNRMQM-SNVBAGLBSA-N 1 0 233.315 1.692 10 0 BDAERO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(N)c1 ZINC000037909797 176109157 /nfs/dbraw/zinc/10/91/57/176109157.db2.gz RUQSLYQLUALUHP-SNVBAGLBSA-N 1 0 233.315 1.692 10 0 BDAERO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N(C)C2CC2)C1 ZINC000049304800 176123664 /nfs/dbraw/zinc/12/36/64/176123664.db2.gz DPQNORUYIDJLHI-GHMZBOCLSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@@H]1CCC[C@H](CN2C(=O)CCCCC2=O)[NH2+]1 ZINC000051574808 176137569 /nfs/dbraw/zinc/13/75/69/176137569.db2.gz MYSSAJLDJVJMCH-GHMZBOCLSA-N 1 0 238.331 1.446 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000104211583 176140094 /nfs/dbraw/zinc/14/00/94/176140094.db2.gz XFWUVAOBXIBTLL-MROQNXINSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)[C@@H]2CCOC2)C1 ZINC000104325834 176152383 /nfs/dbraw/zinc/15/23/83/176152383.db2.gz LIXUUCUKGPKNBJ-WZRBSPASSA-N 1 0 240.347 1.047 10 0 BDAERO C[C@@H]1CCN(C(=O)c2cccc(CC[NH3+])c2)C1 ZINC000053662407 176163120 /nfs/dbraw/zinc/16/31/20/176163120.db2.gz CTJDWPYFSMRJMS-LLVKDONJSA-N 1 0 232.327 1.670 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2=O)CC1(C)C ZINC000334562137 176172800 /nfs/dbraw/zinc/17/28/00/176172800.db2.gz JGYFFEPNSJZNDC-VXGBXAGGSA-N 1 0 238.375 1.881 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccncc1Cl ZINC000335657970 176184995 /nfs/dbraw/zinc/18/49/95/176184995.db2.gz QQBFJGVSFITYIN-KCJUWKMLSA-N 1 0 225.723 1.567 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000216678509 176187345 /nfs/dbraw/zinc/18/73/45/176187345.db2.gz NNGQHFTWMLQAJL-MXWKQRLJSA-N 1 0 240.347 1.994 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NC2CCCC2)C[NH2+]1 ZINC000019518020 176220477 /nfs/dbraw/zinc/22/04/77/176220477.db2.gz XHIVDERIVLNEGU-ZJUUUORDSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])N1Cc1ccccc1 ZINC000039318912 176223763 /nfs/dbraw/zinc/22/37/63/176223763.db2.gz PQXFFBLKACKRKM-DGCLKSJQSA-N 1 0 204.317 1.998 10 0 BDAERO C[C@@H]1C[NH+](CCc2cccc(N)c2)C[C@@H](C)O1 ZINC000041138835 176294063 /nfs/dbraw/zinc/29/40/63/176294063.db2.gz BZKKGADFIQBLJW-VXGBXAGGSA-N 1 0 234.343 1.921 10 0 BDAERO C[C@@H]1CN(Cc2ccc(CO)cc2)C[C@H]1[NH+](C)C ZINC000252752196 176303649 /nfs/dbraw/zinc/30/36/49/176303649.db2.gz BVFHGUKFENUFDP-IUODEOHRSA-N 1 0 248.370 1.561 10 0 BDAERO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cc2)CCCO1 ZINC000061918916 176319098 /nfs/dbraw/zinc/31/90/98/176319098.db2.gz GUVWUQUBXNURCP-SNVBAGLBSA-N 1 0 233.315 1.586 10 0 BDAERO C[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCCO1 ZINC000041226413 176324617 /nfs/dbraw/zinc/32/46/17/176324617.db2.gz YVIKGXWMHJJWJQ-MNOVXSKESA-N 1 0 212.337 1.238 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnns1 ZINC000309807420 176324664 /nfs/dbraw/zinc/32/46/64/176324664.db2.gz YBLVATVDENFSGS-ZJUUUORDSA-N 1 0 238.360 1.207 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000073655335 176328314 /nfs/dbraw/zinc/32/83/14/176328314.db2.gz NRLYFPRXDFXPKP-NXEZZACHSA-N 1 0 228.336 1.851 10 0 BDAERO C[C@@H]1COCCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055127603 176334005 /nfs/dbraw/zinc/33/40/05/176334005.db2.gz UZVQITOWJVKXNC-WOPDTQHZSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@@H]1COCCN1CC1([NH3+])CCCCC1 ZINC000035776834 176335667 /nfs/dbraw/zinc/33/56/67/176335667.db2.gz CXHVZPHOWWCCNL-LLVKDONJSA-N 1 0 212.337 1.369 10 0 BDAERO C[C@@H]1COCCN1C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000035776869 176337123 /nfs/dbraw/zinc/33/71/23/176337123.db2.gz YRSFRPQQBMZNFJ-RFGFWPKPSA-N 1 0 238.375 1.628 10 0 BDAERO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C1CC1)N(C)C ZINC000309762597 176344552 /nfs/dbraw/zinc/34/45/52/176344552.db2.gz JAKRGUOAUNOXFS-RTXFEEFZSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2ccc(Cl)cc2[C@H]1[NH3+] ZINC000035755646 176348745 /nfs/dbraw/zinc/34/87/45/176348745.db2.gz LRRJGTKKVAMGAP-LDWIPMOCSA-N 1 0 245.731 1.763 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2c(F)cccc2[C@H]1[NH3+] ZINC000035755760 176349518 /nfs/dbraw/zinc/34/95/18/176349518.db2.gz WRUKIUGSSPAMQU-MUWHJKNJSA-N 1 0 229.276 1.249 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])c2cc(F)cc(F)c2S1(=O)=O ZINC000035752396 176371049 /nfs/dbraw/zinc/37/10/49/176371049.db2.gz CNKMVOKUKGSTQI-MLUIRONXSA-N 1 0 247.266 1.531 10 0 BDAERO C[C@@H]1Cc2ccccc2N1CCC(N)=[NH2+] ZINC000019423903 176451820 /nfs/dbraw/zinc/45/18/20/176451820.db2.gz AJKWTLKDWOZFLQ-SECBINFHSA-N 1 0 203.289 1.764 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000309154787 176455409 /nfs/dbraw/zinc/45/54/09/176455409.db2.gz XCNDASYCJMTJKF-AEJSXWLSSA-N 1 0 228.361 1.139 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccco1 ZINC000282306725 176456172 /nfs/dbraw/zinc/45/61/72/176456172.db2.gz KDIZHOOFJQEYFM-WCBMZHEXSA-N 1 0 208.261 1.036 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1(C)CCC1 ZINC000335594225 176457615 /nfs/dbraw/zinc/45/76/15/176457615.db2.gz VSHNRSOEHDKDRE-QWRGUYRKSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H]1Oc2ccc(NCCC[NH3+])cc2NC1=O ZINC000082606448 176486502 /nfs/dbraw/zinc/48/65/02/176486502.db2.gz FFGBAIIHLRVTID-QMMMGPOBSA-N 1 0 235.287 1.167 10 0 BDAERO C[C@@H]1[C@H]([NH2+]C2COC2)CCN1Cc1ccccc1 ZINC000287289214 176503343 /nfs/dbraw/zinc/50/33/43/176503343.db2.gz KBGWDIFJBYIEFR-IUODEOHRSA-N 1 0 246.354 1.638 10 0 BDAERO C[C@H](C[NH3+])CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC000042455151 176658650 /nfs/dbraw/zinc/65/86/50/176658650.db2.gz JVOAAMWWSXRTOE-LLVKDONJSA-N 1 0 246.354 1.842 10 0 BDAERO C[C@@H](NC(=O)[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000037007684 176751963 /nfs/dbraw/zinc/75/19/63/176751963.db2.gz NDZBETUWQBQJPJ-NKWVEPMBSA-N 1 0 228.242 1.489 10 0 BDAERO C[C@H]([NH3+])CNc1c(C(N)=O)cnc2ccccc21 ZINC000104204630 176760475 /nfs/dbraw/zinc/76/04/75/176760475.db2.gz PJYPTYCMXCGWEW-QMMMGPOBSA-N 1 0 244.298 1.093 10 0 BDAERO C[C@H]([NH3+])Cc1ccccc1Sc1nncn1C ZINC000104296230 176762756 /nfs/dbraw/zinc/76/27/56/176762756.db2.gz SZFFDQJUBSZKLQ-VIFPVBQESA-N 1 0 248.355 1.856 10 0 BDAERO C[C@H]([NH3+])Cc1nncn1-c1ccccc1 ZINC000054526832 176763074 /nfs/dbraw/zinc/76/30/74/176763074.db2.gz FBPMXPVUQCEQCA-VIFPVBQESA-N 1 0 202.261 1.157 10 0 BDAERO C[C@H]([NH3+])[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000043388731 176765274 /nfs/dbraw/zinc/76/52/74/176765274.db2.gz ZJYZEGVTNYKEGB-SSDLBLMSSA-N 1 0 203.644 1.860 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1ccco1)N1CCCOCC1 ZINC000061914334 176766542 /nfs/dbraw/zinc/76/65/42/176766542.db2.gz VRQWYTNMVWCTOK-JQWIXIFHSA-N 1 0 224.304 1.390 10 0 BDAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)n1cncn1 ZINC000043254320 176771050 /nfs/dbraw/zinc/77/10/50/176771050.db2.gz PLNWHRUZXKPRTI-IMTBSYHQSA-N 1 0 242.735 1.930 10 0 BDAERO C[C@H]([NH3+])c1cccc(NC(=O)NC2CC2)c1 ZINC000041708713 176777193 /nfs/dbraw/zinc/77/71/93/176777193.db2.gz KQZUIXUMHSRSAA-QMMMGPOBSA-N 1 0 219.288 1.990 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCn2ncnc21)C1CC1 ZINC000122706815 176923308 /nfs/dbraw/zinc/92/33/08/176923308.db2.gz LTJCGRISOMYRFJ-WPRPVWTQSA-N 1 0 206.293 1.501 10 0 BDAERO C[C@H](O)[C@H]([NH3+])c1c(F)cccc1Cl ZINC000041212392 177012945 /nfs/dbraw/zinc/01/29/45/177012945.db2.gz PENSHPRZZMWWKP-CDUCUWFYSA-N 1 0 203.644 1.860 10 0 BDAERO C[C@H](OC[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000095068548 177020965 /nfs/dbraw/zinc/02/09/65/177020965.db2.gz JXCFBIXOUMEKNI-DTWKUNHWSA-N 1 0 212.318 1.830 10 0 BDAERO C[C@H](OC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095068540 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BDAERO C[C@H]1C[NH+](CCC2CS(=O)(=O)C2)C[C@@H]1C ZINC000335788913 177247555 /nfs/dbraw/zinc/24/75/55/177247555.db2.gz SAWBPZKOJMZTNW-UWVGGRQHSA-N 1 0 231.361 1.009 10 0 BDAERO C[C@H]1CN(CC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000020593521 177255004 /nfs/dbraw/zinc/25/50/04/177255004.db2.gz DMRUWCINOKHEND-RYUDHWBXSA-N 1 0 212.337 1.239 10 0 BDAERO C[C@H]1CN(Cc2ccc(C(N)=[NH2+])cc2)C[C@H](C)O1 ZINC000034689325 177262351 /nfs/dbraw/zinc/26/23/51/177262351.db2.gz FMCOVORRICXVPT-QWRGUYRKSA-N 1 0 247.342 1.580 10 0 BDAERO C[C@H]1CN([C@@H](C[NH3+])c2ccsc2)CCO1 ZINC000022164843 177274715 /nfs/dbraw/zinc/27/47/15/177274715.db2.gz HFARBRMWQBIHLZ-ONGXEEELSA-N 1 0 226.345 1.469 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc[nH]1 ZINC000113230551 177280549 /nfs/dbraw/zinc/28/05/49/177280549.db2.gz TYUIHZVXVGLOJV-WDEREUQCSA-N 1 0 233.315 1.323 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ccncc1 ZINC000083550972 177280871 /nfs/dbraw/zinc/28/08/71/177280871.db2.gz AYRVYUPFXNJZAP-DZGCQCFKSA-N 1 0 245.370 1.793 10 0 BDAERO C[C@H]1C[NH+]=C(N[C@@H]2CCCN(C)C2)S1 ZINC000040715975 177282078 /nfs/dbraw/zinc/28/20/78/177282078.db2.gz LPJGVQRHWRFWQT-DTWKUNHWSA-N 1 0 213.350 1.162 10 0 BDAERO C[C@H]1COCCN1Cc1cccc(C(N)=[NH2+])c1 ZINC000035776371 177292289 /nfs/dbraw/zinc/29/22/89/177292289.db2.gz HSEMNUZKBBPTFB-JTQLQIEISA-N 1 0 233.315 1.191 10 0 BDAERO C[C@H]1CS(=O)(=O)c2c(F)cc(F)cc2[C@H]1[NH3+] ZINC000035755821 177302614 /nfs/dbraw/zinc/30/26/14/177302614.db2.gz GNGSZNGEMIZZSA-CDUCUWFYSA-N 1 0 247.266 1.388 10 0 BDAERO C[C@H]1CSC(NC[C@H]2CCCOC2)=[NH+]1 ZINC000044982354 177302953 /nfs/dbraw/zinc/30/29/53/177302953.db2.gz BOBMEVZDWQHBSE-DTWKUNHWSA-N 1 0 214.334 1.494 10 0 BDAERO C[C@H]1CS(=O)(=O)c2cc(F)c(F)cc2[C@@H]1[NH3+] ZINC000035755774 177303506 /nfs/dbraw/zinc/30/35/06/177303506.db2.gz XPWYGQUFWXMGSM-XUOSJQGZSA-N 1 0 247.266 1.388 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])c2cc3c(cc21)OCCO3 ZINC000041213666 177327913 /nfs/dbraw/zinc/32/79/13/177327913.db2.gz RANODRAICBGDHT-OIBJUYFYSA-N 1 0 205.257 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CC(C)[C@H]([NH3+])CC(=O)NCC(C1CC1)C1CC1 ZINC000136478117 488180543 /nfs/dbraw/zinc/18/05/43/488180543.db2.gz SYORVEJRTMRTTO-CYBMUJFWSA-N 1 0 238.375 1.912 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000380237525 488181269 /nfs/dbraw/zinc/18/12/69/488181269.db2.gz MSAGEYQXJFUAPY-UTUOFQBUSA-N 1 0 215.337 1.693 10 0 BDAERO [NH3+]Cc1cn(C[C@H]2Cc3ccccc32)nn1 ZINC000085576549 488185029 /nfs/dbraw/zinc/18/50/29/488185029.db2.gz BFIVRZGXRJNJCN-SNVBAGLBSA-N 1 0 214.272 1.077 10 0 BDAERO COC(C)(C)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000308404675 488201782 /nfs/dbraw/zinc/20/17/82/488201782.db2.gz AQNVIVYPPCSLCI-NXEZZACHSA-N 1 0 201.310 1.257 10 0 BDAERO C[C@H](C[NH2+]C1CCN(CCO)CC1)C(C)(C)C ZINC000399104732 488227474 /nfs/dbraw/zinc/22/74/74/488227474.db2.gz XDCNWGLIOQOOOC-GFCCVEGCSA-N 1 0 242.407 1.715 10 0 BDAERO COC[C@@H](C)[NH2+]CCn1cc(Cl)cn1 ZINC000053537669 490156337 /nfs/dbraw/zinc/15/63/37/490156337.db2.gz DHKZODLDZFDOEI-MRVPVSSYSA-N 1 0 217.700 1.161 10 0 BDAERO CC[C@H]([NH3+])CNc1ncc(Br)cn1 ZINC000082662541 490164308 /nfs/dbraw/zinc/16/43/08/490164308.db2.gz OYSGIJKETGETRY-ZETCQYMHSA-N 1 0 245.124 1.388 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCCOC1 ZINC000070013395 490196423 /nfs/dbraw/zinc/19/64/23/490196423.db2.gz JTCUAKFEKZXZSJ-QWHCGFSZSA-N 1 0 228.380 1.731 10 0 BDAERO COc1cccc(C[NH2+]CC[C@@H]2CCCO2)n1 ZINC000070093358 490199911 /nfs/dbraw/zinc/19/99/11/490199911.db2.gz QMDMCKNXACKJMD-LBPRGKRZSA-N 1 0 236.315 1.749 10 0 BDAERO C[C@@H](C[NH2+]C(C1CC1)C1CC1)N1CCOCC1 ZINC000123285722 490212512 /nfs/dbraw/zinc/21/25/12/490212512.db2.gz IBVOSCJXWBDNNN-NSHDSACASA-N 1 0 238.375 1.485 10 0 BDAERO C[C@@]1(C[NH3+])COc2cc(F)c(F)cc2O1 ZINC000536953985 490235669 /nfs/dbraw/zinc/23/56/69/490235669.db2.gz JUYIZJKYBUESNK-SNVBAGLBSA-N 1 0 215.199 1.453 10 0 BDAERO CNc1cc(C)[nH+]c(N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000074934154 490309809 /nfs/dbraw/zinc/30/98/09/490309809.db2.gz DCKKKDGDBJIOBR-UWVGGRQHSA-N 1 0 236.319 1.440 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000300214454 490551446 /nfs/dbraw/zinc/55/14/46/490551446.db2.gz RPZQNDWERBYLAD-MROQNXINSA-N 1 0 227.348 1.837 10 0 BDAERO NC(=O)C[N@@H+]1CCC[C@H](c2ccccc2N)CC1 ZINC000141515395 490614447 /nfs/dbraw/zinc/61/44/47/490614447.db2.gz JAONYRKGGMHNSU-NSHDSACASA-N 1 0 247.342 1.324 10 0 BDAERO CC[C@H]1CN(c2ccnc(C)n2)CC[C@H]1[NH3+] ZINC000251729806 491079605 /nfs/dbraw/zinc/07/96/05/491079605.db2.gz KIQCTMDKZCHJAD-WDEREUQCSA-N 1 0 220.320 1.349 10 0 BDAERO CC[C@@H]1CN(c2ccnc(C)n2)CC[C@H]1[NH3+] ZINC000251729799 491079607 /nfs/dbraw/zinc/07/96/07/491079607.db2.gz KIQCTMDKZCHJAD-GHMZBOCLSA-N 1 0 220.320 1.349 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]C2CSC2)C[C@H](C)O1 ZINC000307696975 491134254 /nfs/dbraw/zinc/13/42/54/491134254.db2.gz FRJZOOWLZBWSDU-ILWJIGKKSA-N 1 0 215.362 1.895 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)nc1 ZINC000087782297 491092116 /nfs/dbraw/zinc/09/21/16/491092116.db2.gz ZMAAEJJJFPZNMS-DGCLKSJQSA-N 1 0 220.316 1.783 10 0 BDAERO COCC[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000088506252 491103789 /nfs/dbraw/zinc/10/37/89/491103789.db2.gz LHLRNOVFCGFVTA-UWVGGRQHSA-N 1 0 203.351 1.849 10 0 BDAERO CC[C@@H](C)C[NH2+][C@H]1CCCN(CCO)C1 ZINC000309236846 491146555 /nfs/dbraw/zinc/14/65/55/491146555.db2.gz XRKHNUSBWGTSOW-NEPJUHHUSA-N 1 0 214.353 1.079 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000224376787 491153717 /nfs/dbraw/zinc/15/37/17/491153717.db2.gz NPSVJZDKWHLVLU-GARJFASQSA-N 1 0 215.362 1.633 10 0 BDAERO Cc1nc([C@H](O)[C@@H]2C[C@H]2C)sc1CC[NH3+] ZINC000757129510 582504079 /nfs/dbraw/zinc/50/40/79/582504079.db2.gz NKPFULFCYOUQGG-GTNGPMTGSA-N 1 0 226.345 1.642 10 0 BDAERO FC(F)[C@H]1CC[NH2+][C@]2(CCSC2)O1 ZINC000757138372 582518087 /nfs/dbraw/zinc/51/80/87/582518087.db2.gz BRNVUHMZSGRYIK-HTRCEHHLSA-N 1 0 209.261 1.463 10 0 BDAERO CCCC1(CCC)[NH2+]CC2(COC2)CO1 ZINC000757139817 582520516 /nfs/dbraw/zinc/52/05/16/582520516.db2.gz IASZZZITWWKBCK-UHFFFAOYSA-N 1 0 213.321 1.919 10 0 BDAERO CC[C@@H](CC(F)F)CN1CC[C@H]1C[NH3+] ZINC000757146388 582529850 /nfs/dbraw/zinc/52/98/50/582529850.db2.gz NIFITUALVBMXDL-IUCAKERBSA-N 1 0 206.280 1.701 10 0 BDAERO C1CC1[C@H]1CCO[C@]2(CCCSC2)[NH2+]1 ZINC000757147270 582531650 /nfs/dbraw/zinc/53/16/50/582531650.db2.gz RYEOIIWPCUWEKH-MNOVXSKESA-N 1 0 213.346 1.998 10 0 BDAERO CCC[C@@H]1CC[NH2+][C@]2(CCSC2)O1 ZINC000757150092 582534037 /nfs/dbraw/zinc/53/40/37/582534037.db2.gz PBDRINRHRQNIQB-NXEZZACHSA-N 1 0 201.335 1.998 10 0 BDAERO CCCN(C)S(=O)(=O)C[C@H]([NH3+])[C@H](C)CC ZINC000757151549 582536183 /nfs/dbraw/zinc/53/61/83/582536183.db2.gz HQCBOMMZDSHSEI-ZJUUUORDSA-N 1 0 236.381 1.031 10 0 BDAERO CCOC(=O)C[C@](C)([NH3+])CSCC ZINC000757152919 582537266 /nfs/dbraw/zinc/53/72/66/582537266.db2.gz BRUNZWBFGLBTIG-VIFPVBQESA-N 1 0 205.323 1.410 10 0 BDAERO [NH3+]C[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC000757155942 582539802 /nfs/dbraw/zinc/53/98/02/582539802.db2.gz JDRQYOSDJRNKNY-IUCAKERBSA-N 1 0 204.264 1.455 10 0 BDAERO Cc1cc(C[C@](C)(O)C[NH3+])ccc1Cl ZINC000757158025 582540494 /nfs/dbraw/zinc/54/04/94/582540494.db2.gz NBQIQMKHWKBTQU-NSHDSACASA-N 1 0 213.708 1.901 10 0 BDAERO CCc1ccc(CSC[C@@H](O)C[NH2+]C)o1 ZINC000757164911 582546321 /nfs/dbraw/zinc/54/63/21/582546321.db2.gz JJBNPSZZETVZTE-VIFPVBQESA-N 1 0 229.345 1.656 10 0 BDAERO C[C@@](O)(C[NH3+])CSCc1ccc(Cl)o1 ZINC000757171013 582550675 /nfs/dbraw/zinc/55/06/75/582550675.db2.gz SDYNCEPKVXVGHO-SECBINFHSA-N 1 0 235.736 1.876 10 0 BDAERO C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2cncnc2)[NH2+]1 ZINC000757220280 582563885 /nfs/dbraw/zinc/56/38/85/582563885.db2.gz XYZYJPHEOKLBBJ-BSJXLVFVSA-N 1 0 220.320 1.111 10 0 BDAERO CC(=O)C[N@H+]1C[C@H](C)[C@@H]2C=CC=C[C@@H]2C1 ZINC000253589376 519422745 /nfs/dbraw/zinc/42/27/45/519422745.db2.gz FQGXTLVZGMQWOG-UHTWSYAYSA-N 1 0 205.301 1.886 10 0 BDAERO CC[NH2+]C[C@H](N)c1ccc2c(c1)CCO2 ZINC000259163307 582807234 /nfs/dbraw/zinc/80/72/34/582807234.db2.gz DQJRBQGMSNHLGY-NSHDSACASA-N 1 0 206.289 1.231 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]CC12CCCCC2 ZINC000225846987 521141116 /nfs/dbraw/zinc/14/11/16/521141116.db2.gz TWGIRPUXVYHUID-JTQLQIEISA-N 1 0 211.305 1.719 10 0 BDAERO CCc1nc2cccnc2n1[C@H]1CC[NH2+]C1 ZINC000258457967 522507353 /nfs/dbraw/zinc/50/73/53/522507353.db2.gz DIBWJHRHLIHDDD-VIFPVBQESA-N 1 0 216.288 1.528 10 0 BDAERO CCc1nc2cccnc2n1[C@@H]1CCC[NH2+]C1 ZINC000258653455 522507804 /nfs/dbraw/zinc/50/78/04/522507804.db2.gz LWCNQROEOYMYAW-SNVBAGLBSA-N 1 0 230.315 1.918 10 0 BDAERO CC(=O)CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183809611 534725629 /nfs/dbraw/zinc/72/56/29/534725629.db2.gz PTVBSMBBQKIPFZ-UHFFFAOYSA-N 1 0 247.342 1.573 10 0 BDAERO Cc1ccccc1CC(=O)NCCCCC[NH3+] ZINC000079867858 525095099 /nfs/dbraw/zinc/09/50/99/525095099.db2.gz GAJLMYLYDJCXFX-UHFFFAOYSA-N 1 0 234.343 1.783 10 0 BDAERO Cc1cc(NN)[nH+]c(NCCC(C)C)n1 ZINC000057331694 525285572 /nfs/dbraw/zinc/28/55/72/525285572.db2.gz MIBFNMUGYLQNAF-UHFFFAOYSA-N 1 0 209.297 1.529 10 0 BDAERO Cc1ccc(/C=C/C(=O)N2CC[C@H]([NH3+])C2)c(C)c1 ZINC000229018067 525949905 /nfs/dbraw/zinc/94/99/05/525949905.db2.gz OMAPSVNDMONRLY-GJBLVYBDSA-N 1 0 244.338 1.876 10 0 BDAERO C[NH2+]C[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000041045216 536465536 /nfs/dbraw/zinc/46/55/36/536465536.db2.gz NHQBXLOFNDFPGL-LLVKDONJSA-N 1 0 220.320 1.221 10 0 BDAERO C[NH2+]Cc1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000051399751 536468844 /nfs/dbraw/zinc/46/88/44/536468844.db2.gz OYCJCMBUCAQSNP-QWRGUYRKSA-N 1 0 235.331 1.415 10 0 BDAERO COC[C@@H](C)C[NH2+]Cc1ccnc(C)n1 ZINC000054790892 536508354 /nfs/dbraw/zinc/50/83/54/536508354.db2.gz UWNARRYWOMQYAJ-VIFPVBQESA-N 1 0 209.293 1.157 10 0 BDAERO Nc1ccccc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000245224270 527527478 /nfs/dbraw/zinc/52/74/78/527527478.db2.gz UERRZQCPQRIPHN-HAQNSBGRSA-N 1 0 220.316 1.662 10 0 BDAERO CCOC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCSC1 ZINC000494976907 527726584 /nfs/dbraw/zinc/72/65/84/527726584.db2.gz RDRARKUFDJCOKB-NXEZZACHSA-N 1 0 231.361 1.623 10 0 BDAERO COC[C@@H](C)N(C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261577596 536515220 /nfs/dbraw/zinc/51/52/20/536515220.db2.gz LEBSDUNVOYEERV-GHMZBOCLSA-N 1 0 228.336 1.012 10 0 BDAERO CCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COC ZINC000308910554 528381573 /nfs/dbraw/zinc/38/15/73/528381573.db2.gz DPIDDMVFMCNRMX-TUAOUCFPSA-N 1 0 215.337 1.552 10 0 BDAERO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401622369 528878727 /nfs/dbraw/zinc/87/87/27/528878727.db2.gz SBPUCFOOLMOYQZ-IJLUTSLNSA-N 1 0 243.347 1.421 10 0 BDAERO CC(C)[C@H](C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179123752 534929043 /nfs/dbraw/zinc/92/90/43/534929043.db2.gz WZEPMZMNCKMRLA-MNOVXSKESA-N 1 0 212.337 1.489 10 0 BDAERO CC(C)(C)c1ccnc(N2CC[C@@H](C[NH3+])C2)n1 ZINC000261547220 535133906 /nfs/dbraw/zinc/13/39/06/535133906.db2.gz HSABGUDWGGYYHD-JTQLQIEISA-N 1 0 234.347 1.559 10 0 BDAERO CC(C)n1nnnc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177546940 535168368 /nfs/dbraw/zinc/16/83/68/535168368.db2.gz HMKUCZYHHRNMNE-RYUDHWBXSA-N 1 0 249.362 1.876 10 0 BDAERO CC(C)[C@H]1CCCCN1C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262597831 535173976 /nfs/dbraw/zinc/17/39/76/535173976.db2.gz XHDCILWVJFJVAQ-DGCLKSJQSA-N 1 0 238.375 1.879 10 0 BDAERO CCCN(C(=O)[C@@H]1C[C@@H]1OCC)[C@H]1CC[NH2+]C1 ZINC000178934185 535232588 /nfs/dbraw/zinc/23/25/88/535232588.db2.gz AMZAPEZMASZXSS-TUAOUCFPSA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)NC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000171691626 535268251 /nfs/dbraw/zinc/26/82/51/535268251.db2.gz KNIVWPTUSXYNGQ-JTQLQIEISA-N 1 0 230.377 1.338 10 0 BDAERO CCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661990 535318255 /nfs/dbraw/zinc/31/82/55/535318255.db2.gz SNPJJLVIUIPMJK-GHMZBOCLSA-N 1 0 210.321 1.482 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)C(C)(C)C ZINC000220980303 535591396 /nfs/dbraw/zinc/59/13/96/535591396.db2.gz ZPLGXOBRTRGXRH-QWHCGFSZSA-N 1 0 242.407 1.810 10 0 BDAERO CC[C@@H](C)[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122653 535641977 /nfs/dbraw/zinc/64/19/77/535641977.db2.gz PTMXYAOBYAARJW-DDHJBXDOSA-N 1 0 226.364 1.925 10 0 BDAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](C)C(=O)OC ZINC000251852579 535853004 /nfs/dbraw/zinc/85/30/04/535853004.db2.gz RXWWUHKEKLIGCU-HBNTYKKESA-N 1 0 229.320 1.295 10 0 BDAERO CC[C@]1(C(=O)N[C@@H](C)[C@H]2CCCO2)CC[NH2+]C1 ZINC000251178118 535880420 /nfs/dbraw/zinc/88/04/20/535880420.db2.gz CQFBTADJAWCTOS-LOWVWBTDSA-N 1 0 240.347 1.060 10 0 BDAERO CC[C@]1(C(=O)N[C@@H](C)C2CC2)CC[NH2+]C1 ZINC000062890706 535880659 /nfs/dbraw/zinc/88/06/59/535880659.db2.gz ANYQYCFIGNGEMK-CABZTGNLSA-N 1 0 210.321 1.291 10 0 BDAERO CCn1cc(CN2CC[C@H](C)C[C@H]2C[NH3+])cn1 ZINC000261544431 536056439 /nfs/dbraw/zinc/05/64/39/536056439.db2.gz YAYZOUONSZMXGD-AAEUAGOBSA-N 1 0 236.363 1.462 10 0 BDAERO CC[C@H]1CO[C@H](C)CN1c1cc(C[NH3+])ccn1 ZINC000036794447 536171426 /nfs/dbraw/zinc/17/14/26/536171426.db2.gz KMRNVZIJAXPXQG-PWSUYJOCSA-N 1 0 235.331 1.544 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1Cc1cncc(F)c1 ZINC000231433691 536458541 /nfs/dbraw/zinc/45/85/41/536458541.db2.gz WGPKDCVFCSMMOM-LBPRGKRZSA-N 1 0 223.295 1.405 10 0 BDAERO COC(=O)[C@H](C)C[N@H+](C)[C@H]1CCCC[C@@H]1O ZINC000251122551 536606588 /nfs/dbraw/zinc/60/65/88/536606588.db2.gz RJLNCYMZZKAGTB-VWYCJHECSA-N 1 0 229.320 1.031 10 0 BDAERO CO[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000261542789 536705168 /nfs/dbraw/zinc/70/51/68/536705168.db2.gz PYHPOPYITSZHGD-NNYUYHANSA-N 1 0 240.347 1.058 10 0 BDAERO COC(C)(C)C(=O)C[C@H]1CCC[C@H](C)[NH2+]1 ZINC000301032573 537881419 /nfs/dbraw/zinc/88/14/19/537881419.db2.gz VLZMPTHFOINUMC-VHSXEESVSA-N 1 0 213.321 1.901 10 0 BDAERO C[NH2+]Cc1nnn(C(C)(C)C)c1-c1ccnn1C ZINC000725256860 538059890 /nfs/dbraw/zinc/05/98/90/538059890.db2.gz BWTCIDICGGERMQ-UHFFFAOYSA-N 1 0 248.334 1.153 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000725263121 538089136 /nfs/dbraw/zinc/08/91/36/538089136.db2.gz PIMPVDZKKYMZQX-DMDPSCGWSA-N 1 0 239.363 1.554 10 0 BDAERO C[C@H](CO)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000231636771 566314422 /nfs/dbraw/zinc/31/44/22/566314422.db2.gz PVJQHFWVYYSYBS-SDDRHHMPSA-N 1 0 213.321 1.258 10 0 BDAERO CCC1CCC2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000675052364 566374581 /nfs/dbraw/zinc/37/45/81/566374581.db2.gz DMKCOWQGLSAYLP-YZRBJQDESA-N 1 0 211.305 1.847 10 0 BDAERO CCC1CCC2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000675052363 566374792 /nfs/dbraw/zinc/37/47/92/566374792.db2.gz DMKCOWQGLSAYLP-SQLBVSGCSA-N 1 0 211.305 1.847 10 0 BDAERO CC(=O)N1[C@@H](CC[NH3+])CCC[C@@H]1C(F)(F)F ZINC000675073954 566454146 /nfs/dbraw/zinc/45/41/46/566454146.db2.gz VWELVIMKDMGCMH-RKDXNWHRSA-N 1 0 238.253 1.667 10 0 BDAERO CC(=O)N1[C@@H](C(F)(F)F)CCC[C@H]1CC[NH3+] ZINC000675073951 566454343 /nfs/dbraw/zinc/45/43/43/566454343.db2.gz VWELVIMKDMGCMH-DTWKUNHWSA-N 1 0 238.253 1.667 10 0 BDAERO Cc1oc2c(c(=O)c1C)[C@H]1CC[C@@H](C2)[N@H+]1C ZINC000000900472 560179573 /nfs/dbraw/zinc/17/95/73/560179573.db2.gz WBTZDCUVPGAROE-VHSXEESVSA-N 1 0 219.284 1.948 10 0 in-vitro BDAERO CC(C)CC(=O)O[C@@H]1C[C@H]2C[C@@H](O)[C@@H](C1)[N@@H+]2C ZINC000004098916 560196225 /nfs/dbraw/zinc/19/62/25/560196225.db2.gz APLLVFVOTXZBFO-IRCOFANPSA-N 1 0 241.331 1.172 10 0 in-vitro BDAERO CCC(C)(C)NC(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000395916953 583072480 /nfs/dbraw/zinc/07/24/80/583072480.db2.gz FXRYPPCTJCAVJD-LLVKDONJSA-N 1 0 241.379 1.945 10 0 BDAERO C[C@@H]1C[C@@]2(CN1C)[NH2+]CCc1sccc12 ZINC000397191922 583098110 /nfs/dbraw/zinc/09/81/10/583098110.db2.gz PCFMPLLGZGJXIH-SKDRFNHKSA-N 1 0 222.357 1.813 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc3c(c2)COC3)n1 ZINC000111306990 588741506 /nfs/dbraw/zinc/74/15/06/588741506.db2.gz UTQAPEXLWLZYEP-UHFFFAOYSA-N 1 0 245.282 1.529 10 0 BDAERO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1)C(N)=O ZINC000107322960 582459708 /nfs/dbraw/zinc/45/97/08/582459708.db2.gz HMAKOBNZHAYGNQ-NSHDSACASA-N 1 0 224.279 1.425 10 0 BDAERO CN1CCc2cc(NCC(F)(F)CO)ccc21 ZINC000757123861 582498806 /nfs/dbraw/zinc/49/88/06/582498806.db2.gz AWNNUMCCRUVBGR-UHFFFAOYSA-N 1 0 242.269 1.718 10 0 BDAERO CC(C)(F)[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757124642 582499479 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/nfs/dbraw/zinc/54/82/30/582548230.db2.gz PWCLRVNYBWNIQH-LLVKDONJSA-N 1 0 229.345 1.921 10 0 BDAERO [NH3+][C@H](CCO)CSCc1ccc(Cl)o1 ZINC000757169970 582549981 /nfs/dbraw/zinc/54/99/81/582549981.db2.gz NPUZCFRTYPTZMS-SSDOTTSWSA-N 1 0 235.736 1.876 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)Nc2c(F)ccc(Cl)c21 ZINC000757176006 582553186 /nfs/dbraw/zinc/55/31/86/582553186.db2.gz UWJDRFWLSHVAQF-YFKPBYRVSA-N 1 0 228.654 1.864 10 0 BDAERO CC(=O)c1ccc([C@H]2CC[NH2+][C@@H](CN)C2)cc1 ZINC000757216880 582561484 /nfs/dbraw/zinc/56/14/84/582561484.db2.gz QRVJTOUPOSEDHZ-UONOGXRCSA-N 1 0 232.327 1.684 10 0 BDAERO C[C@@H]1CC[C@@H]([C@@H]2CCNc3[nH+]ccn32)O1 ZINC000235383876 582574044 /nfs/dbraw/zinc/57/40/44/582574044.db2.gz IMMUCPZINQCNFT-UTLUCORTSA-N 1 0 207.277 1.807 10 0 BDAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2c2nccs2)N1 ZINC000235435625 582580300 /nfs/dbraw/zinc/58/03/00/582580300.db2.gz XPKZMDWSDCQPOE-SFYZADRCSA-N 1 0 222.317 1.238 10 0 BDAERO O=C(n1ccnc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000113427654 588838893 /nfs/dbraw/zinc/83/88/93/588838893.db2.gz CJKYVGUAOBMGQS-LBPRGKRZSA-N 1 0 248.330 1.411 10 0 BDAERO O=C(n1ccnc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000113427656 588838926 /nfs/dbraw/zinc/83/89/26/588838926.db2.gz CJKYVGUAOBMGQS-GFCCVEGCSA-N 1 0 248.330 1.411 10 0 BDAERO Cc1ccc([C@@H]2CC[NH+]=C(N)N2)cc1F ZINC000235881839 582618578 /nfs/dbraw/zinc/61/85/78/582618578.db2.gz BVKISIIGJMFIJY-JTQLQIEISA-N 1 0 207.252 1.483 10 0 BDAERO Cc1cn2c([nH+]1)N[C@@H]([C@H]1CCCO1)CC2 ZINC000236044537 582636849 /nfs/dbraw/zinc/63/68/49/582636849.db2.gz OZKXMWRZORLMKE-NXEZZACHSA-N 1 0 207.277 1.555 10 0 BDAERO [NH3+]C[C@H]1CCNc2c3ccccc3nn21 ZINC000236187516 582640921 /nfs/dbraw/zinc/64/09/21/582640921.db2.gz HQPBXAWFWAUXQD-MRVPVSSYSA-N 1 0 202.261 1.352 10 0 BDAERO [NH3+]Cc1ccnc2cc(-c3cccs3)nn21 ZINC000236211766 582641724 /nfs/dbraw/zinc/64/17/24/582641724.db2.gz RLKJLMTWRNFDMN-UHFFFAOYSA-N 1 0 230.296 1.917 10 0 BDAERO Nc1[nH+]ccn1CCOC1CCCCC1 ZINC000236347165 582653117 /nfs/dbraw/zinc/65/31/17/582653117.db2.gz NKTACSNIKSYYDM-UHFFFAOYSA-N 1 0 209.293 1.815 10 0 BDAERO Cc1cc2c(ncnc2N2CC[NH2+]C[C@@H]2C)s1 ZINC000104366903 582793248 /nfs/dbraw/zinc/79/32/48/582793248.db2.gz MLICVOSQHJECBY-QMMMGPOBSA-N 1 0 248.355 1.798 10 0 BDAERO C[C@H]1CN2C(=[NH+]1)N[C@H](C)C[C@H]2C(F)(F)F ZINC000389701389 582880920 /nfs/dbraw/zinc/88/09/20/582880920.db2.gz SKUIIIJHGXSXJR-VQVTYTSYSA-N 1 0 221.226 1.359 10 0 BDAERO C[C@H]([NH2+]C1CCN(CCO)CC1)C1CCC1 ZINC000393804246 582926746 /nfs/dbraw/zinc/92/67/46/582926746.db2.gz PCHHCJFMVUMSAZ-NSHDSACASA-N 1 0 226.364 1.221 10 0 BDAERO CCC[NH+](CCC)[C@H]1CCOC[C@@H]1O ZINC000706788087 582961135 /nfs/dbraw/zinc/96/11/35/582961135.db2.gz HMIMUYDWKGIWAI-QWRGUYRKSA-N 1 0 201.310 1.258 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000395937788 583073482 /nfs/dbraw/zinc/07/34/82/583073482.db2.gz CZBPWAUTRDGHNZ-QWRGUYRKSA-N 1 0 241.379 1.720 10 0 BDAERO COCCOC[C@@H]1[NH2+]CCc2sccc21 ZINC000397233799 583098796 /nfs/dbraw/zinc/09/87/96/583098796.db2.gz NZFJVOSTVDVAQQ-JTQLQIEISA-N 1 0 227.329 1.598 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000397816387 583109347 /nfs/dbraw/zinc/10/93/47/583109347.db2.gz JQYRNIANGQWHLC-XQQFMLRXSA-N 1 0 240.391 1.731 10 0 BDAERO C[C@H](CCC1CC1)[NH2+]C1CCN(CCO)CC1 ZINC000399007984 583169253 /nfs/dbraw/zinc/16/92/53/583169253.db2.gz VMHLOSVIRCHGCK-GFCCVEGCSA-N 1 0 240.391 1.611 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1ccc2[nH]ccc2c1 ZINC000104226056 583169756 /nfs/dbraw/zinc/16/97/56/583169756.db2.gz XBSMKOSFAQKUIT-SECBINFHSA-N 1 0 231.299 1.635 10 0 BDAERO CC[C@@H]1CN(c2cncc(Cl)n2)CC[C@@H]1[NH3+] ZINC000126511077 583313065 /nfs/dbraw/zinc/31/30/65/583313065.db2.gz LTEFVPWZFOZLNQ-BDAKNGLRSA-N 1 0 240.738 1.694 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC000211221002 583842500 /nfs/dbraw/zinc/84/25/00/583842500.db2.gz NHNAMJZTOJKGTK-XICOKMJESA-N 1 0 203.713 1.976 10 0 BDAERO c1cc2n(n1)[C@@H]([C@H]1CCC[NH2+]C1)CCN2 ZINC000232455972 585031106 /nfs/dbraw/zinc/03/11/06/585031106.db2.gz KCOYCLOIFJCFHP-VHSXEESVSA-N 1 0 206.293 1.239 10 0 BDAERO c1cc2n(n1)[C@H]([C@H]1CCC[NH2+]C1)CCN2 ZINC000232455857 585031122 /nfs/dbraw/zinc/03/11/22/585031122.db2.gz KCOYCLOIFJCFHP-UWVGGRQHSA-N 1 0 206.293 1.239 10 0 BDAERO Nc1cc2n(n1)CCC[C@H]2c1cccc(C[NH3+])c1 ZINC000757572941 586382708 /nfs/dbraw/zinc/38/27/08/586382708.db2.gz VRPRIFKKGIBOMA-LBPRGKRZSA-N 1 0 242.326 1.850 10 0 BDAERO C[NH2+]Cc1sc([C@H](O)[C@@H](C)OC)nc1C ZINC000757129767 586426036 /nfs/dbraw/zinc/42/60/36/586426036.db2.gz NZEBSJCSUKHAAR-VXNVDRBHSA-N 1 0 230.333 1.239 10 0 BDAERO [NH3+]CCc1csc([C@@H](O)C2CCC2)n1 ZINC000757134737 586427075 /nfs/dbraw/zinc/42/70/75/586427075.db2.gz YUINKDQKZZAGPZ-VIFPVBQESA-N 1 0 212.318 1.478 10 0 BDAERO C1CCC2(CC1)CCO[C@]1(CCC[NH2+]C1)N2 ZINC000757151705 586429590 /nfs/dbraw/zinc/42/95/90/586429590.db2.gz RGHBWAMSFWNANF-ZDUSSCGKSA-N 1 0 224.348 1.779 10 0 BDAERO Cc1ccoc1CSCC[C@](C)(O)C[NH3+] ZINC000757167239 586432696 /nfs/dbraw/zinc/43/26/96/586432696.db2.gz TZGMKPVYCBOOKW-NSHDSACASA-N 1 0 229.345 1.921 10 0 BDAERO CCc1ccc(CSC[C@@H](CO)[NH2+]C)o1 ZINC000757168527 586432780 /nfs/dbraw/zinc/43/27/80/586432780.db2.gz AQJYDJXZVXESFK-SECBINFHSA-N 1 0 229.345 1.656 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(C)cc(F)c1 ZINC000757184346 586434078 /nfs/dbraw/zinc/43/40/78/586434078.db2.gz LFJLFWOLLZJKGM-VXGBXAGGSA-N 1 0 237.274 1.610 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCS[C@H]2C ZINC000757185719 586434243 /nfs/dbraw/zinc/43/42/43/586434243.db2.gz RRUMTLJSRZZEAA-ATZCPNFKSA-N 1 0 229.345 1.281 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cnc(Cl)s1 ZINC000757192241 586436037 /nfs/dbraw/zinc/43/60/37/586436037.db2.gz WOXRFKFKYDLMJY-NTSWFWBYSA-N 1 0 246.719 1.273 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2CCC[C@H](C(=O)[O-])[NH2+]2)c1 ZINC000757208345 586437911 /nfs/dbraw/zinc/43/79/11/586437911.db2.gz CKAVDYKJYUEQNN-NWDGAFQWSA-N 1 0 234.299 1.413 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN[C@@H]1c1cccc(N)c1 ZINC000757208644 586438047 /nfs/dbraw/zinc/43/80/47/586438047.db2.gz AKIQZIONGWSEJP-FXAINCCUSA-N 1 0 205.305 1.267 10 0 BDAERO [NH3+]Cc1ccc([C@H]2[NH2+]CCC[C@@H]2C(=O)[O-])cc1 ZINC000757210795 586439130 /nfs/dbraw/zinc/43/91/30/586439130.db2.gz HDURMXLRLQQVEF-NWDGAFQWSA-N 1 0 234.299 1.271 10 0 BDAERO COC(=O)[C@H]1CC[NH2+][C@H](c2cccc(C=O)c2)C1 ZINC000757212314 586439642 /nfs/dbraw/zinc/43/96/42/586439642.db2.gz HZWNDWUVEPJJFW-STQMWFEESA-N 1 0 247.294 1.713 10 0 BDAERO [NH3+]Cc1ccc([C@H]2C[C@@H](C(=O)[O-])CC[NH2+]2)cc1 ZINC000757214520 586440218 /nfs/dbraw/zinc/44/02/18/586440218.db2.gz MOYNPDCRKUVXEV-NWDGAFQWSA-N 1 0 234.299 1.271 10 0 BDAERO [NH3+]C[C@H]1CCC[NH2+][C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757219436 586442047 /nfs/dbraw/zinc/44/20/47/586442047.db2.gz YREDPBPBJPOKGD-VXGBXAGGSA-N 1 0 234.299 1.384 10 0 BDAERO C[C@@H]1CCC[C@@]2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000757225313 586442519 /nfs/dbraw/zinc/44/25/19/586442519.db2.gz SRCBYUQYZRSUNW-SCVCMEIPSA-N 1 0 211.305 1.847 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN[C@H]1c1cnn(C(C)(C)C)c1 ZINC000757229298 586442777 /nfs/dbraw/zinc/44/27/77/586442777.db2.gz DPEMLNDRVLDJIO-ADEWGFFLSA-N 1 0 236.363 1.636 10 0 BDAERO CC(C)(C)n1cc([C@H]2CC[C@@H](CN)[NH2+]C2)cn1 ZINC000757227121 586442902 /nfs/dbraw/zinc/44/29/02/586442902.db2.gz AWFJZYPERWUJHL-JQWIXIFHSA-N 1 0 236.363 1.432 10 0 BDAERO [NH3+][C@@H]1CC[NH2+][C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757237886 586443702 /nfs/dbraw/zinc/44/37/02/586443702.db2.gz QRYGEFFUZBAEPJ-GHMZBOCLSA-N 1 0 220.272 1.137 10 0 BDAERO COCC[N@@H+]1CCN(C/C=C/Cl)C[C@H]1C ZINC000105913951 588229376 /nfs/dbraw/zinc/22/93/76/588229376.db2.gz ZMXOVRORHSCKKZ-PGLGOXFNSA-N 1 0 232.755 1.391 10 0 BDAERO CCOCCN1CC[N@H+](CCC(C)=O)C[C@@H]1C ZINC000106112886 588252380 /nfs/dbraw/zinc/25/23/80/588252380.db2.gz IVTGNCSIBGHMEH-LBPRGKRZSA-N 1 0 242.363 1.008 10 0 BDAERO CCC[C@H](N)c1nc(-c2nccn2C)no1 ZINC000122093634 589553874 /nfs/dbraw/zinc/55/38/74/589553874.db2.gz XRSWWPLGLAMWQP-ZETCQYMHSA-N 1 0 221.264 1.270 10 0 BDAERO CCC[C@H](C(=O)NCC(C)(C)SC)[NH+](C)C ZINC000125233363 590157120 /nfs/dbraw/zinc/15/71/20/590157120.db2.gz NHZMFGMOKLQVFG-SNVBAGLBSA-N 1 0 246.420 1.975 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1csc(C)n1 ZINC000125965663 590201651 /nfs/dbraw/zinc/20/16/51/590201651.db2.gz OLWRIWXUNMQFQV-LURJTMIESA-N 1 0 200.263 1.014 10 0 BDAERO C[C@H](Nc1cncc(Cl)n1)[C@H]1CCC[NH2+]C1 ZINC000126471459 590314958 /nfs/dbraw/zinc/31/49/58/590314958.db2.gz WLMJGYUUUFEBCG-IUCAKERBSA-N 1 0 240.738 1.930 10 0 BDAERO Clc1cncc(NCC[NH2+]C2CC2)n1 ZINC000126474431 590317343 /nfs/dbraw/zinc/31/73/43/590317343.db2.gz GRWHTVOENPKMPO-UHFFFAOYSA-N 1 0 212.684 1.294 10 0 BDAERO C[C@H]1CCCN(c2cncc(Cl)n2)[C@@H]1C[NH3+] ZINC000126491294 590320359 /nfs/dbraw/zinc/32/03/59/590320359.db2.gz KXXNECLEXWHNOJ-DTWKUNHWSA-N 1 0 240.738 1.694 10 0 BDAERO Cc1ccc(N(C)C(=O)C2([NH3+])CCOCC2)cc1 ZINC000127908306 590841757 /nfs/dbraw/zinc/84/17/57/590841757.db2.gz MZBRSXDJCNDBCG-UHFFFAOYSA-N 1 0 248.326 1.466 10 0 BDAERO 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CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC=CO1 ZINC000308826416 631673503 /nfs/dbraw/zinc/67/35/03/631673503.db2.gz AILPHFAQWAGHJA-GHMZBOCLSA-N 1 0 213.321 1.676 10 0 BDAERO CC(=O)[C@@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 ZINC000308819279 631674102 /nfs/dbraw/zinc/67/41/02/631674102.db2.gz BVPAFOVZDHTSGJ-ZYHUDNBSSA-N 1 0 213.321 1.448 10 0 BDAERO CO[C@H](C)C[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000308919955 631721836 /nfs/dbraw/zinc/72/18/36/631721836.db2.gz OSIIAWMSKHCQDT-IJLUTSLNSA-N 1 0 215.337 1.504 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCn2ncnc21 ZINC000309119371 631890171 /nfs/dbraw/zinc/89/01/71/631890171.db2.gz MXWVAZYCWXRVGO-OPRDCNLKSA-N 1 0 206.293 1.501 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC000091390615 631955613 /nfs/dbraw/zinc/95/56/13/631955613.db2.gz AIBFOSKTQTUFKF-ZYHUDNBSSA-N 1 0 246.310 1.451 10 0 BDAERO CCOc1ccc(-c2nc(CC[NH2+]C)no2)cc1 ZINC000051850692 631962740 /nfs/dbraw/zinc/96/27/40/631962740.db2.gz YABGIRMUVHWOEL-UHFFFAOYSA-N 1 0 247.298 1.897 10 0 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CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)O)n1 ZINC000309975133 632688441 /nfs/dbraw/zinc/68/84/41/632688441.db2.gz SFDSOIARADXCJR-VHSXEESVSA-N 1 0 224.304 1.339 10 0 BDAERO Cl/C=C\CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255679548 632696765 /nfs/dbraw/zinc/69/67/65/632696765.db2.gz XZCOKHJPZFNQQD-WUWIAWFRSA-N 1 0 200.713 1.519 10 0 BDAERO [NH3+][C@H](CC(F)F)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000310088872 632699497 /nfs/dbraw/zinc/69/94/97/632699497.db2.gz PQEJSKXJTGWQES-OUAUKWLOSA-N 1 0 248.317 1.612 10 0 BDAERO C(c1noc(C[C@@H]2CCC[NH2+]C2)n1)C1CCC1 ZINC000310125361 632702977 /nfs/dbraw/zinc/70/29/77/632702977.db2.gz DDMIFIHZZDRTPM-NSHDSACASA-N 1 0 235.331 1.954 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000310301503 632718407 /nfs/dbraw/zinc/71/84/07/632718407.db2.gz BPFPTZWQVGBHLM-MJBXVCDLSA-N 1 0 239.359 1.839 10 0 BDAERO Cc1nnc(NCCCCCC[NH3+])nc1C ZINC000235809365 632833049 /nfs/dbraw/zinc/83/30/49/632833049.db2.gz MWXVJLDMSSCCBF-UHFFFAOYSA-N 1 0 223.324 1.419 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)F ZINC000309252654 632844116 /nfs/dbraw/zinc/84/41/16/632844116.db2.gz BQWJNDXWPUZNSO-ZJUUUORDSA-N 1 0 228.311 1.430 10 0 BDAERO [NH3+]CCCCCCNc1ncnc2c1CCC2 ZINC000236173775 632892251 /nfs/dbraw/zinc/89/22/51/632892251.db2.gz IVVLYUMDOYALHI-UHFFFAOYSA-N 1 0 234.347 1.896 10 0 BDAERO Clc1cncc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000309300272 632910147 /nfs/dbraw/zinc/91/01/47/632910147.db2.gz SYUNIJGABWXVBF-BDAKNGLRSA-N 1 0 238.722 1.318 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NCCc1ccncc1 ZINC000310938319 633027797 /nfs/dbraw/zinc/02/77/97/633027797.db2.gz IYANMDCMUUJAER-CYBMUJFWSA-N 1 0 247.342 1.273 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000164269441 635897942 /nfs/dbraw/zinc/89/79/42/635897942.db2.gz PZUBRBNADSSOAW-NEPJUHHUSA-N 1 0 209.289 1.920 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2cncc(Cl)n2)C1 ZINC000309465842 633108550 /nfs/dbraw/zinc/10/85/50/633108550.db2.gz PIJMYXVSVISMBT-RKDXNWHRSA-N 1 0 240.738 1.882 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(F)ccc1F ZINC000166472419 633112890 /nfs/dbraw/zinc/11/28/90/633112890.db2.gz BQCICQPTCNJRBK-ZJUUUORDSA-N 1 0 241.237 1.441 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc(C)cc(C)c1 ZINC000166505771 633115879 /nfs/dbraw/zinc/11/58/79/633115879.db2.gz FAARJVQYRQPBQR-QWHCGFSZSA-N 1 0 233.311 1.779 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000166589120 633117271 /nfs/dbraw/zinc/11/72/71/633117271.db2.gz CHFKVMNETSUOJD-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000166588880 633117789 /nfs/dbraw/zinc/11/77/89/633117789.db2.gz DOMNZAIFOUDPJR-RYUDHWBXSA-N 1 0 237.274 1.692 10 0 BDAERO Clc1cccc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000307291701 635985927 /nfs/dbraw/zinc/98/59/27/635985927.db2.gz KFAWRCREZHWBLI-MRVPVSSYSA-N 1 0 211.696 1.756 10 0 BDAERO CCc1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@H](C)O ZINC000309412524 633915419 /nfs/dbraw/zinc/91/54/19/633915419.db2.gz BZNPXDDPWDVGNQ-YUMQZZPRSA-N 1 0 245.754 1.495 10 0 BDAERO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)O)cc(C)c1O ZINC000309972098 634003500 /nfs/dbraw/zinc/00/35/00/634003500.db2.gz QADVNJFMLUDHKS-WDEREUQCSA-N 1 0 223.316 1.868 10 0 BDAERO C[C@@H]1CCCC[C@H]1OCC[NH2+]C(C)(C)CO ZINC000309774723 634005626 /nfs/dbraw/zinc/00/56/26/634005626.db2.gz LKOQTEAQMSTZPE-VXGBXAGGSA-N 1 0 229.364 1.942 10 0 BDAERO COC1CC([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000309971941 634054284 /nfs/dbraw/zinc/05/42/84/634054284.db2.gz PXUVGHMGOJCMNC-NWGYLPEXSA-N 1 0 221.304 1.554 10 0 BDAERO Fc1cccc(NCC2CC[NH2+]CC2)n1 ZINC000162449868 634154726 /nfs/dbraw/zinc/15/47/26/634154726.db2.gz SYQUXCUBXDPZIT-UHFFFAOYSA-N 1 0 209.268 1.632 10 0 BDAERO Cc1ccccc1CCNC(=O)C1CC([NH3+])C1 ZINC000258618601 635177402 /nfs/dbraw/zinc/17/74/02/635177402.db2.gz BPKCRJLUCJROBK-UHFFFAOYSA-N 1 0 232.327 1.391 10 0 BDAERO Cc1ccc(CNC(=O)C2CC([NH3+])C2)cc1 ZINC000258704003 635190785 /nfs/dbraw/zinc/19/07/85/635190785.db2.gz KGVZTOXGCYMEOM-UHFFFAOYSA-N 1 0 218.300 1.349 10 0 BDAERO [NH3+]C1CC(C(=O)NCc2cc(F)ccc2F)C1 ZINC000258716512 635191784 /nfs/dbraw/zinc/19/17/84/635191784.db2.gz MTBQLNDANDTRGI-UHFFFAOYSA-N 1 0 240.253 1.318 10 0 BDAERO [NH3+]C1CC(C(=O)N2CCc3ccccc3C2)C1 ZINC000258747440 635193890 /nfs/dbraw/zinc/19/38/90/635193890.db2.gz OAVKDUHUGUFDQK-UHFFFAOYSA-N 1 0 230.311 1.309 10 0 BDAERO Cc1ccc(NC(=O)C2CC([NH3+])C2)cc1C ZINC000258764106 635196947 /nfs/dbraw/zinc/19/69/47/635196947.db2.gz PERFWSWHYXOQLK-UHFFFAOYSA-N 1 0 218.300 1.979 10 0 BDAERO [NH3+]C1CC(C(=O)N2CCCc3ccccc32)C1 ZINC000258778719 635198125 /nfs/dbraw/zinc/19/81/25/635198125.db2.gz QLHRLZJULSUTLB-UHFFFAOYSA-N 1 0 230.311 1.703 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)[C@H](C)O)C1CCSCC1 ZINC000336658390 635198833 /nfs/dbraw/zinc/19/88/33/635198833.db2.gz QIAGDQSZXAHPRB-AEJSXWLSSA-N 1 0 217.378 1.877 10 0 BDAERO Cc1nc([C@H](C)[NH2+][C@H](C)[C@H](C)O)cs1 ZINC000336655975 635202031 /nfs/dbraw/zinc/20/20/31/635202031.db2.gz OEANNUJMRSWFJT-CSMHCCOUSA-N 1 0 214.334 1.871 10 0 BDAERO Cc1nn(-c2cccc(F)c2)cc1C[NH3+] ZINC000082644615 636282165 /nfs/dbraw/zinc/28/21/65/636282165.db2.gz UXSNPVPSQICDRM-UHFFFAOYSA-N 1 0 205.236 1.779 10 0 BDAERO C[C@](C[NH3+])(OCCO)C1CCCCC1 ZINC000235722904 636713561 /nfs/dbraw/zinc/71/35/61/636713561.db2.gz NALUPTLTFLLCIC-LLVKDONJSA-N 1 0 201.310 1.293 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N1CCC([NH3+])CC1 ZINC000237346040 636715263 /nfs/dbraw/zinc/71/52/63/636715263.db2.gz OTPAHVSSZASCHS-LBPRGKRZSA-N 1 0 246.354 1.815 10 0 BDAERO Cc1nc([C@]2([NH3+])CCC[C@H](C)C2)n(C)n1 ZINC000054499171 636743340 /nfs/dbraw/zinc/74/33/40/636743340.db2.gz SWXKHLNKLGOABZ-KWQFWETISA-N 1 0 208.309 1.488 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCN(OC)CC1 ZINC000323127359 636900712 /nfs/dbraw/zinc/90/07/12/636900712.db2.gz OLKWIIAHSACPDC-PWSUYJOCSA-N 1 0 212.337 1.790 10 0 BDAERO CCON1CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000323389919 636925018 /nfs/dbraw/zinc/92/50/18/636925018.db2.gz RHLUJFYBUOHGHM-CMPLNLGQSA-N 1 0 228.336 1.169 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ncc(F)cn1 ZINC000128495203 637080151 /nfs/dbraw/zinc/08/01/51/637080151.db2.gz QNDFPRJWINGUAL-JTQLQIEISA-N 1 0 224.283 1.194 10 0 BDAERO C(C[NH2+]C1CC1)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000043427157 638317251 /nfs/dbraw/zinc/31/72/51/638317251.db2.gz HQPUSMQUEZYYLJ-ZIAGYGMSSA-N 1 0 238.375 1.772 10 0 BDAERO C[C@@H]1CN(Cc2csc(Cl)n2)C[C@@H]1[NH3+] ZINC000306715121 711460619 /nfs/dbraw/zinc/46/06/19/711460619.db2.gz RMFPVKSOFVTBMT-SVRRBLITSA-N 1 0 231.752 1.576 10 0 BDAERO CC[NH2+]CC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000044294446 640177406 /nfs/dbraw/zinc/17/74/06/640177406.db2.gz GBOZSQBNILOUFK-QMMMGPOBSA-N 1 0 242.269 1.752 10 0 BDAERO CCc1nc([C@]2([NH3+])CCC[C@H](C)C2)n(C)n1 ZINC000054696862 640305322 /nfs/dbraw/zinc/30/53/22/640305322.db2.gz JRPJMWCDCIWOOF-CABZTGNLSA-N 1 0 222.336 1.742 10 0 BDAERO CCc1nc(CC[C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000054697174 640306145 /nfs/dbraw/zinc/30/61/45/640306145.db2.gz CYMVENDBVCAOIU-JTQLQIEISA-N 1 0 222.336 1.310 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])c1nc(C(C)C)nn1C ZINC000054697775 640306511 /nfs/dbraw/zinc/30/65/11/640306511.db2.gz ZMQXPWOGDOKYFE-BDAKNGLRSA-N 1 0 210.325 1.984 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000164269549 640459021 /nfs/dbraw/zinc/45/90/21/640459021.db2.gz PZUBRBNADSSOAW-NWDGAFQWSA-N 1 0 209.289 1.920 10 0 BDAERO C[C@H](O)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000164565666 640491774 /nfs/dbraw/zinc/49/17/74/640491774.db2.gz HDFGQSNOUGFZGZ-RYUDHWBXSA-N 1 0 207.317 1.978 10 0 BDAERO CCCOc1ccnc(N2CCC[C@H]2C[NH3+])n1 ZINC000164841227 640509393 /nfs/dbraw/zinc/50/93/93/640509393.db2.gz RSWJVFHFZPIIQH-JTQLQIEISA-N 1 0 236.319 1.193 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1OC ZINC000166602016 640656838 /nfs/dbraw/zinc/65/68/38/640656838.db2.gz RUWDGQZVKIHZMF-RYUDHWBXSA-N 1 0 249.310 1.561 10 0 BDAERO [NH3+]C1CCC(C(=O)Nc2ccc(F)nc2)CC1 ZINC000225376413 640686987 /nfs/dbraw/zinc/68/69/87/640686987.db2.gz SYCYDDHYUFRTIZ-UHFFFAOYSA-N 1 0 237.278 1.677 10 0 BDAERO CCC[C@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698543 640710706 /nfs/dbraw/zinc/71/07/06/640710706.db2.gz SKEWLOUBWLOAOS-QMMMGPOBSA-N 1 0 210.325 1.913 10 0 BDAERO CC[C@H]1CC[NH2+][C@@H](C(C(C)=O)C(C)=O)C1 ZINC000167560569 640730891 /nfs/dbraw/zinc/73/08/91/640730891.db2.gz AMTHLLMLRGSSFO-WDEREUQCSA-N 1 0 211.305 1.559 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000226237809 640741357 /nfs/dbraw/zinc/74/13/57/640741357.db2.gz XNCKBKKHPLWPKI-GMTAPVOTSA-N 1 0 247.429 1.728 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CC[NH2+]C2)cnc1Cl ZINC000226354527 640750800 /nfs/dbraw/zinc/75/08/00/640750800.db2.gz VDIGCEUYJDSMHW-QMMMGPOBSA-N 1 0 239.706 1.591 10 0 BDAERO CS[C@@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000226374638 640753746 /nfs/dbraw/zinc/75/37/46/640753746.db2.gz BFPGXUYOIOLITQ-CHWFTXMASA-N 1 0 242.388 1.514 10 0 BDAERO CCCCCC[C@@H](O)CN1CC[NH2+]CC1 ZINC000059493067 640815424 /nfs/dbraw/zinc/81/54/24/640815424.db2.gz LUUAQPKEVQJZAI-GFCCVEGCSA-N 1 0 214.353 1.223 10 0 BDAERO CO[C@H](c1noc(C[C@H]2CC[NH2+]C2)n1)C1CC1 ZINC000227328823 640827767 /nfs/dbraw/zinc/82/77/67/640827767.db2.gz DDPPRQZQXUDXNR-KCJUWKMLSA-N 1 0 237.303 1.319 10 0 BDAERO CCCC[NH2+][C@@H]1C[C@H](OCC)[C@@H]1OC ZINC000169166180 640843177 /nfs/dbraw/zinc/84/31/77/640843177.db2.gz AFPDWPNTBDJOEO-OUAUKWLOSA-N 1 0 201.310 1.569 10 0 BDAERO CCc1ncnc(NC[C@@H]2CC[C@H]([NH3+])C2)c1F ZINC000227641629 640843626 /nfs/dbraw/zinc/84/36/26/640843626.db2.gz MXCIVYTWRBWBCS-BDAKNGLRSA-N 1 0 238.310 1.717 10 0 BDAERO [NH3+][C@@H]1CC[C@H](c2nc(C[C@@H]3CCCO3)no2)C1 ZINC000227883153 640852198 /nfs/dbraw/zinc/85/21/98/640852198.db2.gz STVRXTAVVKNPPX-AEJSXWLSSA-N 1 0 237.303 1.386 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2c[nH]cn2)C1 ZINC000228298747 640869201 /nfs/dbraw/zinc/86/92/01/640869201.db2.gz WMTPGFCANMVCTF-CMPLNLGQSA-N 1 0 222.336 1.228 10 0 BDAERO OCC[C@@H]1CC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000229222083 640933973 /nfs/dbraw/zinc/93/39/73/640933973.db2.gz GZBVDTUQIJVZBK-DZGCQCFKSA-N 1 0 249.354 1.814 10 0 BDAERO CC[C@@H]1CCCC[C@@]12C[NH2+]C[C@@H]2C(=O)OC ZINC000229209109 640934281 /nfs/dbraw/zinc/93/42/81/640934281.db2.gz IFDHKDLWGFNQEB-NQBHXWOUSA-N 1 0 225.332 1.965 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ncnc2c1CCC2 ZINC000061278371 640947997 /nfs/dbraw/zinc/94/79/97/640947997.db2.gz VYFDBZDHNQBICY-NSHDSACASA-N 1 0 246.358 1.544 10 0 BDAERO C[C@@H]([NH3+])Cc1nc([C@@H]2CCCS2)no1 ZINC000087699981 640977225 /nfs/dbraw/zinc/97/72/25/640977225.db2.gz IBINHYOIVREZSN-RQJHMYQMSA-N 1 0 213.306 1.527 10 0 BDAERO c1ccc(Cc2noc([C@@H]3CC[NH2+]C3)n2)nc1 ZINC000062119572 641023326 /nfs/dbraw/zinc/02/33/26/641023326.db2.gz FQRDSJIAVPYLST-SECBINFHSA-N 1 0 230.271 1.132 10 0 BDAERO Fc1ccc(Cc2noc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000062119644 641023726 /nfs/dbraw/zinc/02/37/26/641023726.db2.gz SDOFXOPXAALKSJ-SNVBAGLBSA-N 1 0 247.273 1.876 10 0 BDAERO CC(C)Cc1nc([C@H]2CC[NH2+]C2)n(C)n1 ZINC000062132830 641023892 /nfs/dbraw/zinc/02/38/92/641023892.db2.gz CTVFPXXXNXSYFA-VIFPVBQESA-N 1 0 208.309 1.091 10 0 BDAERO COc1ncc(Cl)c(NCC2CC([NH3+])C2)n1 ZINC000087799862 641048875 /nfs/dbraw/zinc/04/88/75/641048875.db2.gz YBFGIVKFXCGRAA-UHFFFAOYSA-N 1 0 242.710 1.288 10 0 BDAERO Cc1cnc([C@H](C)NCC[NH+]2CCCC2)o1 ZINC000230645213 641076025 /nfs/dbraw/zinc/07/60/25/641076025.db2.gz PERPVSJCVODWFM-NSHDSACASA-N 1 0 223.320 1.729 10 0 BDAERO COC1CC([NH2+]Cc2ccc(C)cn2)C1 ZINC000230689307 641087492 /nfs/dbraw/zinc/08/74/92/641087492.db2.gz BSVOLDYHGGLLCJ-UHFFFAOYSA-N 1 0 206.289 1.657 10 0 BDAERO Cc1ccc(N)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062964352 641115504 /nfs/dbraw/zinc/11/55/04/641115504.db2.gz KCJSNZNBUKGGGH-GFCCVEGCSA-N 1 0 247.342 1.353 10 0 BDAERO Cc1cnc(NCc2ccc(CC[NH3+])cc2)nc1 ZINC000063049072 641124108 /nfs/dbraw/zinc/12/41/08/641124108.db2.gz UZYZOOIPUQYHPH-UHFFFAOYSA-N 1 0 242.326 1.898 10 0 BDAERO CC(C)[C@H]1CCC[C@](C[NH3+])(OCCO)C1 ZINC000231020167 641125453 /nfs/dbraw/zinc/12/54/53/641125453.db2.gz XJSUERJWRIJUQD-RYUDHWBXSA-N 1 0 215.337 1.539 10 0 BDAERO CC(C)(C)CCS(=O)(=O)NCC1CC([NH3+])C1 ZINC000232507142 641288174 /nfs/dbraw/zinc/28/81/74/641288174.db2.gz TYRWHMMRONHGHV-UHFFFAOYSA-N 1 0 248.392 1.079 10 0 BDAERO CC(C)[C@H](C)NC(=O)Nc1nc(C[NH3+])cs1 ZINC000675074297 641324447 /nfs/dbraw/zinc/32/44/47/641324447.db2.gz ZQDIVAUBYSGETL-ZETCQYMHSA-N 1 0 242.348 1.768 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(Br)c(F)c1 ZINC000089063862 641422095 /nfs/dbraw/zinc/42/20/95/641422095.db2.gz KVCZSGBWSGPJON-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000089430886 641732026 /nfs/dbraw/zinc/73/20/26/641732026.db2.gz VGJMMFOIBADMHF-IUCAKERBSA-N 1 0 245.286 1.369 10 0 BDAERO Cn1cccc1[C@H]1NCC[NH+]=C1NC(C)(C)C ZINC000075567228 641762556 /nfs/dbraw/zinc/76/25/56/641762556.db2.gz FMVCHZXBMSWTRG-LLVKDONJSA-N 1 0 234.347 1.456 10 0 BDAERO c1cnc2c(c1)nc(N1CC[NH2+]CC1)n2C1CC1 ZINC000075951546 641780254 /nfs/dbraw/zinc/78/02/54/641780254.db2.gz LTOUFHAHLJQHFS-UHFFFAOYSA-N 1 0 243.314 1.176 10 0 BDAERO CON(C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000190141068 641845481 /nfs/dbraw/zinc/84/54/81/641845481.db2.gz NRWGOSMMQIFHOI-LLVKDONJSA-N 1 0 243.351 1.310 10 0 BDAERO C[C@H](O)C[N@@H+]1CCN(C/C=C\Cl)C[C@@H]1C ZINC000255277440 642331338 /nfs/dbraw/zinc/33/13/38/642331338.db2.gz AHGURURQEXMHEZ-WZQADMAKSA-N 1 0 232.755 1.126 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N(C1CC1)[C@H]1CCSC1 ZINC000409434534 642336943 /nfs/dbraw/zinc/33/69/43/642336943.db2.gz PQVTZHOZGVICBU-QWRGUYRKSA-N 1 0 240.372 1.235 10 0 BDAERO Cc1nsc(N(C)CC(C)(C)[NH3+])n1 ZINC000642857701 642882713 /nfs/dbraw/zinc/88/27/13/642882713.db2.gz AGDITUWMXQRYKF-UHFFFAOYSA-N 1 0 200.311 1.020 10 0 BDAERO Cc1ccc([C@@](C)(O)C[NH+]2CCC(O)CC2)cc1 ZINC000069616985 642884918 /nfs/dbraw/zinc/88/49/18/642884918.db2.gz IDVAJJGIMZZJLF-HNNXBMFYSA-N 1 0 249.354 1.659 10 0 BDAERO COC(OC)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000070622331 643047774 /nfs/dbraw/zinc/04/77/74/643047774.db2.gz CJIQCWYSGCUOMC-LLVKDONJSA-N 1 0 223.316 1.826 10 0 BDAERO COC(OC)[C@H](C)[NH2+]CCc1ccccc1 ZINC000070622330 643049177 /nfs/dbraw/zinc/04/91/77/643049177.db2.gz CJIQCWYSGCUOMC-NSHDSACASA-N 1 0 223.316 1.826 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2[C@H](C)O[C@H](C)[C@H]2C)n1 ZINC000252681480 643089752 /nfs/dbraw/zinc/08/97/52/643089752.db2.gz ICQPDAQXOPQPFY-VFCFLDTKSA-N 1 0 239.319 1.659 10 0 BDAERO CC(C)C1CCC(C[NH3+])(OCCO)CC1 ZINC000084902808 643124032 /nfs/dbraw/zinc/12/40/32/643124032.db2.gz XPGBNZZPOHMGCO-UHFFFAOYSA-N 1 0 215.337 1.539 10 0 BDAERO CCN(c1ncnc2onc(C)c21)[C@H]1CC[NH2+]C1 ZINC000071314123 643126158 /nfs/dbraw/zinc/12/61/58/643126158.db2.gz WDINRCTXMLXZQQ-VIFPVBQESA-N 1 0 247.302 1.114 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000071373072 643133169 /nfs/dbraw/zinc/13/31/69/643133169.db2.gz GZOSZBFGYZNFBA-STQMWFEESA-N 1 0 245.326 1.727 10 0 BDAERO CC1(C)CC2(C1)[NH2+]CC1(CCOCC1)CO2 ZINC000757141943 643304093 /nfs/dbraw/zinc/30/40/93/643304093.db2.gz LLZFKAFNUNUVTM-UHFFFAOYSA-N 1 0 225.332 1.919 10 0 BDAERO CCC[C@H]1CCO[C@]2(CN3CCC2CC3)[NH2+]1 ZINC000757147163 643326213 /nfs/dbraw/zinc/32/62/13/643326213.db2.gz RYAXMVYXOYROCM-STQMWFEESA-N 1 0 224.348 1.587 10 0 BDAERO CC[C@@H](C)c1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000082561146 643343403 /nfs/dbraw/zinc/34/34/03/643343403.db2.gz PWOJKVOPZPBXFI-RKDXNWHRSA-N 1 0 209.293 1.878 10 0 BDAERO CC1(C)CC2(C[NH2+]C[C@H]2C(=O)[O-])CC(C)(C)[NH2+]1 ZINC000757183649 643359380 /nfs/dbraw/zinc/35/93/80/643359380.db2.gz DSVKKTCGWASQGV-VIFPVBQESA-N 1 0 240.347 1.217 10 0 BDAERO COC(=O)[C@](C)([NH3+])C[C@H](C)n1ccc(C)n1 ZINC000082800581 643383018 /nfs/dbraw/zinc/38/30/18/643383018.db2.gz UDNJZWONWVSYJF-GXSJLCMTSA-N 1 0 225.292 1.033 10 0 BDAERO c1ncc(-c2noc([C@@H]3CCC[NH2+]3)n2)s1 ZINC000083037649 643404430 /nfs/dbraw/zinc/40/44/30/643404430.db2.gz ROFFGWPVEMJPQA-LURJTMIESA-N 1 0 222.273 1.618 10 0 BDAERO CCOC(=O)[C@H]([NH3+])CCn1ncc(Cl)c1C ZINC000070704493 643465418 /nfs/dbraw/zinc/46/54/18/643465418.db2.gz AUWVOAPZSLKPMG-SECBINFHSA-N 1 0 245.710 1.125 10 0 BDAERO Cn1nccc1[C@@H]1CCNc2[nH+]ccn21 ZINC000236085029 643587209 /nfs/dbraw/zinc/58/72/09/643587209.db2.gz LIEHSNGOFYIWDU-VIFPVBQESA-N 1 0 203.249 1.022 10 0 BDAERO C[NH2+]C[C@@H]1CCCN(c2nc(C)ns2)C1 ZINC000083648991 643603476 /nfs/dbraw/zinc/60/34/76/643603476.db2.gz UNOIMMPSBKGAFN-VIFPVBQESA-N 1 0 226.349 1.282 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC000086114415 643628483 /nfs/dbraw/zinc/62/84/83/643628483.db2.gz BUPVBDYJYYCLRE-LLVKDONJSA-N 1 0 239.750 1.871 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NC1CCCC1 ZINC000084301208 643657253 /nfs/dbraw/zinc/65/72/53/643657253.db2.gz XYJBZIKOEOJSQX-JQWIXIFHSA-N 1 0 224.348 1.810 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)NC1CCCC1 ZINC000084301195 643657320 /nfs/dbraw/zinc/65/73/20/643657320.db2.gz XYJBZIKOEOJSQX-ZYHUDNBSSA-N 1 0 224.348 1.810 10 0 BDAERO CC(C)CCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301392 643657684 /nfs/dbraw/zinc/65/76/84/643657684.db2.gz DUHCMRGMJBOBEN-RYUDHWBXSA-N 1 0 226.364 1.914 10 0 BDAERO OC1CC(C[NH2+]CC2(O)CCCCC2)C1 ZINC000084448693 643663745 /nfs/dbraw/zinc/66/37/45/643663745.db2.gz KQONHADLNAHUCH-UHFFFAOYSA-N 1 0 213.321 1.042 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCCCCCC2)C1 ZINC000085009611 643678800 /nfs/dbraw/zinc/67/88/00/643678800.db2.gz VHSDCTKITORGHB-RYUDHWBXSA-N 1 0 224.348 1.907 10 0 BDAERO COc1ccc(COC2C[NH2+]C2)c(F)c1 ZINC000228609115 644137510 /nfs/dbraw/zinc/13/75/10/644137510.db2.gz QKVGADVYRVERIY-UHFFFAOYSA-N 1 0 211.236 1.323 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000073995679 644153652 /nfs/dbraw/zinc/15/36/52/644153652.db2.gz LGMVLZSNPUHINU-VIFPVBQESA-N 1 0 227.235 1.397 10 0 BDAERO C[NH2+][C@H](C)c1nc(-c2ccc(F)cn2)no1 ZINC000086704132 644166104 /nfs/dbraw/zinc/16/61/04/644166104.db2.gz KKBGOIFCHVDVOB-ZCFIWIBFSA-N 1 0 222.223 1.551 10 0 BDAERO [NH3+]C1CC(CNc2ccncc2Cl)C1 ZINC000086841417 644186230 /nfs/dbraw/zinc/18/62/30/644186230.db2.gz KMSMNJGGDYXNHL-UHFFFAOYSA-N 1 0 211.696 1.884 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(C)c(F)c1 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[NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccccn1 ZINC000089386646 644548789 /nfs/dbraw/zinc/54/87/89/644548789.db2.gz RWKHREAMTBKPAJ-AAEUAGOBSA-N 1 0 247.342 1.463 10 0 BDAERO [NH3+]C1CC(CNC(=O)C2(c3ccccc3)CC2)C1 ZINC000091538856 644629188 /nfs/dbraw/zinc/62/91/88/644629188.db2.gz GBOOREAPZUATMT-UHFFFAOYSA-N 1 0 244.338 1.572 10 0 BDAERO C[C@@H]1CCC[N@@H+]1CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000247501261 644642402 /nfs/dbraw/zinc/64/24/02/644642402.db2.gz XJROUFIHIGIEIW-IJLUTSLNSA-N 1 0 248.326 1.379 10 0 BDAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000249074626 644711581 /nfs/dbraw/zinc/71/15/81/644711581.db2.gz ARNSEEIUQXMHOI-MCIONIFRSA-N 1 0 238.375 1.997 10 0 BDAERO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000249193781 644716572 /nfs/dbraw/zinc/71/65/72/644716572.db2.gz PJILEDKZWKUFMV-HBNTYKKESA-N 1 0 221.304 1.349 10 0 BDAERO CC1(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])COC1 ZINC000094754926 644726707 /nfs/dbraw/zinc/72/67/07/644726707.db2.gz YMIVUPZMZWHOHU-MNOVXSKESA-N 1 0 240.347 1.047 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(F)c(F)c1F ZINC000095638370 644759716 /nfs/dbraw/zinc/75/97/16/644759716.db2.gz QQFMMOBTPMHBNL-ZETCQYMHSA-N 1 0 233.189 1.667 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc([N+](=O)[O-])ccc1F ZINC000095638443 644762399 /nfs/dbraw/zinc/76/23/99/644762399.db2.gz TWXFRPKCMKAXKD-VIFPVBQESA-N 1 0 242.206 1.297 10 0 BDAERO C([C@@H]1CCCO1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250850963 644783567 /nfs/dbraw/zinc/78/35/67/644783567.db2.gz OERPJYRKGYWBIQ-BFHYXJOUSA-N 1 0 238.375 1.772 10 0 BDAERO C[C@H]1C[N@H+](CC2(O)CCCCC2)C[C@H]1N(C)C ZINC000252493830 644857134 /nfs/dbraw/zinc/85/71/34/644857134.db2.gz YQKHCDIXZMYHNO-QWHCGFSZSA-N 1 0 240.391 1.564 10 0 BDAERO CCCC[NH2+][C@@H]1C[C@@H](OCC)[C@H]1OC ZINC000252751726 644898561 /nfs/dbraw/zinc/89/85/61/644898561.db2.gz AFPDWPNTBDJOEO-MXWKQRLJSA-N 1 0 201.310 1.569 10 0 BDAERO CC(C)c1nccc(N(C)C[C@H](C)[NH3+])n1 ZINC000107207206 645911805 /nfs/dbraw/zinc/91/18/05/645911805.db2.gz XGGQPKNMUIIXRO-VIFPVBQESA-N 1 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241.722 1.381 10 0 BDAERO COC1CC(C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000705456867 712131866 /nfs/dbraw/zinc/13/18/66/712131866.db2.gz GKIOUCZONXTETP-WHXUTIOJSA-N 1 0 215.337 1.815 10 0 BDAERO C[NH2+]CCc1noc(C[C@H](C)C(F)(F)F)n1 ZINC000705469111 712132224 /nfs/dbraw/zinc/13/22/24/712132224.db2.gz CHFWABRMCHXGPD-LURJTMIESA-N 1 0 237.225 1.572 10 0 BDAERO CC(C)(C)SCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000707557693 712171947 /nfs/dbraw/zinc/17/19/47/712171947.db2.gz YCWQAYAKLBYTCZ-DTWKUNHWSA-N 1 0 248.367 1.334 10 0 BDAERO C[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1CO ZINC000708685544 712196855 /nfs/dbraw/zinc/19/68/55/712196855.db2.gz AUTOPSRPYQQFTF-AGIUHOORSA-N 1 0 227.348 1.363 10 0 BDAERO CO[C@H]1C[C@@H](CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000709070709 712207533 /nfs/dbraw/zinc/20/75/33/712207533.db2.gz FBHSNISVGVOXML-RWMBFGLXSA-N 1 0 224.348 1.191 10 0 BDAERO Cc1nsc(N(C)CCCCCC[NH3+])n1 ZINC000710750914 712256231 /nfs/dbraw/zinc/25/62/31/712256231.db2.gz PGMRCWNKGJUFLL-UHFFFAOYSA-N 1 0 228.365 1.802 10 0 BDAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000710963168 712269106 /nfs/dbraw/zinc/26/91/06/712269106.db2.gz COKICQRYXVWTBH-UTUOFQBUSA-N 1 0 243.347 1.279 10 0 BDAERO C[C@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)C1CCCC1 ZINC000711294757 712293305 /nfs/dbraw/zinc/29/33/05/712293305.db2.gz NHSCOTUQOZXIIT-CMPLNLGQSA-N 1 0 238.375 1.927 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](CF)C2)C1 ZINC000711473155 712303434 /nfs/dbraw/zinc/30/34/34/712303434.db2.gz XVPCILCGGZRVPQ-SDDRHHMPSA-N 1 0 215.312 1.829 10 0 BDAERO OC1(C[N@@H+]2CCC[C@H](CF)C2)CCC1 ZINC000711455339 712303989 /nfs/dbraw/zinc/30/39/89/712303989.db2.gz PAASTZOPVIMFQW-SNVBAGLBSA-N 1 0 201.285 1.583 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1C=CCC1 ZINC000711657483 712315057 /nfs/dbraw/zinc/31/50/57/712315057.db2.gz VYGNSCCFMFLEDA-CHWSQXEVSA-N 1 0 227.348 1.720 10 0 BDAERO Cn1ncc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1Cl ZINC000378734787 712359814 /nfs/dbraw/zinc/35/98/14/712359814.db2.gz FTCBJUJUMANICU-ZJUUUORDSA-N 1 0 243.738 1.467 10 0 BDAERO COC1CC([NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000378778735 712360762 /nfs/dbraw/zinc/36/07/62/712360762.db2.gz IQCJMFIOVAVAGU-XKGSQUFQSA-N 1 0 213.321 1.711 10 0 BDAERO CS[C@@H](C)c1nc([C@@H](C)C[NH3+])no1 ZINC000379626370 712390961 /nfs/dbraw/zinc/39/09/61/712390961.db2.gz KFQMTUNTHNZUQF-WDSKDSINSA-N 1 0 201.295 1.556 10 0 BDAERO COC[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713004989 712451045 /nfs/dbraw/zinc/45/10/45/712451045.db2.gz RNVJNWYQKCSTCZ-VHSXEESVSA-N 1 0 230.352 1.147 10 0 BDAERO C[C@H]1CN(CCCOC(F)(F)F)C[C@H]1[NH3+] ZINC000713398831 712459027 /nfs/dbraw/zinc/45/90/27/712459027.db2.gz QLWBHHRRYPDQHD-JGVFFNPUSA-N 1 0 226.242 1.192 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCOC(F)(F)F ZINC000713430636 712459732 /nfs/dbraw/zinc/45/97/32/712459732.db2.gz MGGJGROQXQVEJN-BDAKNGLRSA-N 1 0 241.253 1.758 10 0 BDAERO COCC1CC([NH2+]Cc2cccc(F)c2N)C1 ZINC000713915922 712472699 /nfs/dbraw/zinc/47/26/99/712472699.db2.gz NDNIMKQYMDVLLZ-UHFFFAOYSA-N 1 0 238.306 1.923 10 0 BDAERO COCC1CC([NH2+][C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000713930069 712473664 /nfs/dbraw/zinc/47/36/64/712473664.db2.gz ZIWZTEFOFROODK-QCXCNERSSA-N 1 0 226.364 1.484 10 0 BDAERO [NH3+]C[C@H]1C[C@@H](C(=O)N2CCCCCCC2)CO1 ZINC000713931634 712473826 /nfs/dbraw/zinc/47/38/26/712473826.db2.gz UEUFNBDSAHCWAE-VXGBXAGGSA-N 1 0 240.347 1.143 10 0 BDAERO COCC1CC([NH2+][C@@H](C)c2cn(C)cn2)C1 ZINC000713963753 712475190 /nfs/dbraw/zinc/47/51/90/712475190.db2.gz ZYROLOBGSAHIOH-WHXUTIOJSA-N 1 0 223.320 1.496 10 0 BDAERO CO[C@H](C[NH2+][C@@H](C)c1cn(C)nn1)C1CCC1 ZINC000715946388 712545081 /nfs/dbraw/zinc/54/50/81/712545081.db2.gz SLTMYQFYTDNIDA-JOYOIKCWSA-N 1 0 238.335 1.281 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC[C@H]2CCCS2)C1 ZINC000716056844 712548767 /nfs/dbraw/zinc/54/87/67/712548767.db2.gz ZEUZJCIENPIXGI-HBNTYKKESA-N 1 0 242.388 1.516 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716293365 712553797 /nfs/dbraw/zinc/55/37/97/712553797.db2.gz PEVWVJZDJORUFA-NSHDSACASA-N 1 0 227.348 1.696 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)C1(C)C ZINC000716688210 712570436 /nfs/dbraw/zinc/57/04/36/712570436.db2.gz VSADSBWXGCRKPJ-LXKPXOPUSA-N 1 0 240.347 1.044 10 0 BDAERO CC1(C)CC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716740780 712572009 /nfs/dbraw/zinc/57/20/09/712572009.db2.gz LZUWHCIHIHGEIS-HWOCKDDLSA-N 1 0 210.321 1.419 10 0 BDAERO Cc1ccc(C[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716744651 712572174 /nfs/dbraw/zinc/57/21/74/712572174.db2.gz FLWYBEVMZMKKGI-UHFFFAOYSA-N 1 0 224.329 1.410 10 0 BDAERO Cc1csc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)n1 ZINC000716741428 712572231 /nfs/dbraw/zinc/57/22/31/712572231.db2.gz QOMNOKPTOKXYGY-AFPNSQJFSA-N 1 0 239.344 1.366 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000380018963 712671287 /nfs/dbraw/zinc/67/12/87/712671287.db2.gz VLPPIBPKGRKQQZ-RGWUEKKESA-N 1 0 219.275 1.923 10 0 BDAERO Cc1nc(CNC(=O)C2CC([NH3+])C2)sc1C ZINC000719641421 712819557 /nfs/dbraw/zinc/81/95/57/712819557.db2.gz RQKFWGSBFGYNRD-UHFFFAOYSA-N 1 0 239.344 1.113 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719710784 712823564 /nfs/dbraw/zinc/82/35/64/712823564.db2.gz OLYALTGSUOEVGE-STQMWFEESA-N 1 0 240.391 1.564 10 0 BDAERO CCc1nnc(C[NH2+][C@H](C)C(C)(C)OC)n1C ZINC000720289004 712830101 /nfs/dbraw/zinc/83/01/01/712830101.db2.gz PQZCQVGYXJTPGE-SECBINFHSA-N 1 0 240.351 1.281 10 0 BDAERO CC(C)(CO)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720890677 712874943 /nfs/dbraw/zinc/87/49/43/712874943.db2.gz CNNVSUCRLTZZSU-VWYCJHECSA-N 1 0 213.321 1.305 10 0 BDAERO COC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000721114908 712891425 /nfs/dbraw/zinc/89/14/25/712891425.db2.gz XPCJOUXWJNOZCM-SDDRHHMPSA-N 1 0 241.331 1.296 10 0 BDAERO CSCCCCc1nc([C@H](C)C[NH3+])no1 ZINC000381342410 710625430 /nfs/dbraw/zinc/62/54/30/710625430.db2.gz XWCRGCYXDCYIBV-MRVPVSSYSA-N 1 0 229.349 1.818 10 0 BDAERO [NH3+]CC12CCC(CC1)N2c1ncnc2c1CCC2 ZINC000722987496 710723879 /nfs/dbraw/zinc/72/38/79/710723879.db2.gz VCGUUPDUONBIND-UHFFFAOYSA-N 1 0 244.342 1.425 10 0 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ZINC000161580575 349475621 /nfs/dbraw/zinc/47/56/21/349475621.db2.gz ODWUVMMYKSJHKE-LBPRGKRZSA-N 1 0 220.316 1.328 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC2(CCCC2)C1 ZINC000159585197 136214410 /nfs/dbraw/zinc/21/44/10/136214410.db2.gz YJPDINRVKJEZDZ-LLVKDONJSA-N 1 0 224.348 1.907 10 0 BDAERO C[C@@]1(C(=O)Nc2ccccn2)CCCC[NH2+]1 ZINC000159587314 136214456 /nfs/dbraw/zinc/21/44/56/136214456.db2.gz QKWXIGPUUHWJDH-LBPRGKRZSA-N 1 0 219.288 1.552 10 0 BDAERO COC(=O)CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190353 349501508 /nfs/dbraw/zinc/50/15/08/349501508.db2.gz WJKOJTPFKTYONB-RYUDHWBXSA-N 1 0 240.347 1.156 10 0 BDAERO CCC(CC)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116789527 168334880 /nfs/dbraw/zinc/33/48/80/168334880.db2.gz HAGCTLZMDYGKDY-GFCCVEGCSA-N 1 0 242.363 1.212 10 0 BDAERO Cc1cc(CN2C[C@@H](C)OC[C@@H]2C)oc1C[NH3+] ZINC000052476551 178006554 /nfs/dbraw/zinc/00/65/54/178006554.db2.gz MNBYIGOYIVNTFH-WDEREUQCSA-N 1 0 238.331 1.656 10 0 BDAERO [NH3+][C@@H]1CCO[C@@H]1c1ccncc1Br ZINC000575583066 398152558 /nfs/dbraw/zinc/15/25/58/398152558.db2.gz ITVWXPDRCVUSCT-RKDXNWHRSA-N 1 0 243.104 1.633 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](CN=S2(=O)CCCC2)C1 ZINC000307398371 398159605 /nfs/dbraw/zinc/15/96/05/398159605.db2.gz YBCGOEIQHXGRHL-NXEZZACHSA-N 1 0 216.350 1.376 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCNC2=O)cc(C)c1O ZINC000050394820 178033518 /nfs/dbraw/zinc/03/35/18/178033518.db2.gz JOTHYYWDLCUACP-GFCCVEGCSA-N 1 0 248.326 1.377 10 0 BDAERO Cc1cc(C[C@H](C)[NH3+])nc(Cc2cccnc2)n1 ZINC000054835082 178056611 /nfs/dbraw/zinc/05/66/11/178056611.db2.gz POYOCZGLUKTAPE-JTQLQIEISA-N 1 0 242.326 1.661 10 0 BDAERO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH3+] ZINC000008028893 178069148 /nfs/dbraw/zinc/06/91/48/178069148.db2.gz DGLFKLZBJWAYQV-VIFPVBQESA-N 1 0 215.680 1.347 10 0 BDAERO Cc1cc(Cl)nc(NC[C@H]2CCC[NH2+]2)n1 ZINC000095068934 178071730 /nfs/dbraw/zinc/07/17/30/178071730.db2.gz PYYGJRZWKABUEN-MRVPVSSYSA-N 1 0 226.711 1.602 10 0 BDAERO COCC[NH+](CCOC)C[C@@H]1CCC[C@H](O)C1 ZINC000380110056 398187490 /nfs/dbraw/zinc/18/74/90/398187490.db2.gz ZIGCCQZHQKTPLH-OLZOCXBDSA-N 1 0 245.363 1.132 10 0 BDAERO Cc1cc(N(C)C2CC[NH2+]CC2)nc(Cl)n1 ZINC000095070636 178095993 /nfs/dbraw/zinc/09/59/93/178095993.db2.gz AXMTUGGLJOSJKG-UHFFFAOYSA-N 1 0 240.738 1.627 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000309141723 136217772 /nfs/dbraw/zinc/21/77/72/136217772.db2.gz HIMZJUCJSKZUAB-TUAOUCFPSA-N 1 0 215.337 1.288 10 0 BDAERO Cc1cc(N(CC[NH3+])C2CCCC2)ncn1 ZINC000053706266 178102530 /nfs/dbraw/zinc/10/25/30/178102530.db2.gz UVRYVNXVTLWMLM-UHFFFAOYSA-N 1 0 220.320 1.493 10 0 BDAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H]1CCCOC1 ZINC000336747861 398196814 /nfs/dbraw/zinc/19/68/14/398196814.db2.gz SIBKANPAEFAFIS-TUAOUCFPSA-N 1 0 229.364 1.798 10 0 BDAERO Cc1cc(N)nc(NCc2cccnc2)[nH+]1 ZINC000058824261 178110258 /nfs/dbraw/zinc/11/02/58/178110258.db2.gz YRYUVOHCCLWLSK-UHFFFAOYSA-N 1 0 215.260 1.374 10 0 BDAERO Cc1cc(N2CCC[N@@H+](C)CC2)ccc1CO ZINC000050582623 178114460 /nfs/dbraw/zinc/11/44/60/178114460.db2.gz JAAVXORHZYEZRP-UHFFFAOYSA-N 1 0 234.343 1.629 10 0 BDAERO Cc1cc(N2CC[C@@H](N3CCOCC3)C2)cc[nH+]1 ZINC000302551388 178117133 /nfs/dbraw/zinc/11/71/33/178117133.db2.gz IKFYYGKCUYGCJU-CQSZACIVSA-N 1 0 247.342 1.301 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+]CCC1CCOCC1 ZINC000380647528 398205329 /nfs/dbraw/zinc/20/53/29/398205329.db2.gz OCVXBWXIOLFQQC-ZDUSSCGKSA-N 1 0 227.348 1.962 10 0 BDAERO CCOC(=O)N1CCCCC[C@H]1CC[NH3+] ZINC000616622088 398207295 /nfs/dbraw/zinc/20/72/95/398207295.db2.gz SZENHVHHEXSTFH-JTQLQIEISA-N 1 0 214.309 1.736 10 0 BDAERO CC(C)[C@@H](CCO)[NH2+]C[C@H]1CCCN1C ZINC000386375235 398207510 /nfs/dbraw/zinc/20/75/10/398207510.db2.gz ZMPPKLOPPQWGBX-VXGBXAGGSA-N 1 0 214.353 1.077 10 0 BDAERO Cc1cc(NC(=O)[C@@H]([NH3+])CC(C)C)on1 ZINC000040457932 178144644 /nfs/dbraw/zinc/14/46/44/178144644.db2.gz QVSPAMPJCASHLK-QMMMGPOBSA-N 1 0 211.265 1.295 10 0 BDAERO Cc1cc(NC2CC[NH2+]CC2)nc(Cl)n1 ZINC000072233151 178155376 /nfs/dbraw/zinc/15/53/76/178155376.db2.gz FSEAYDBXKGEISP-UHFFFAOYSA-N 1 0 226.711 1.602 10 0 BDAERO Cc1c(C[NH2+]CCOCC2CCC2)cnn1C ZINC000576323713 365565680 /nfs/dbraw/zinc/56/56/80/365565680.db2.gz SJZDFHFXZZJLBK-UHFFFAOYSA-N 1 0 237.347 1.635 10 0 BDAERO CC[C@@]1([NH2+]C[C@H]2CCCN2C)CCOC1 ZINC000386519740 398211765 /nfs/dbraw/zinc/21/17/65/398211765.db2.gz DMCXYYNGUBXGAY-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO COC[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000643512332 398224486 /nfs/dbraw/zinc/22/44/86/398224486.db2.gz IIBUZIXCQHFCKY-GRYCIOLGSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1cc(NC[C@H]2CCCC[NH2+]2)nc(Cl)n1 ZINC000095068970 178168195 /nfs/dbraw/zinc/16/81/95/178168195.db2.gz KSMINBGYGNRDAT-SECBINFHSA-N 1 0 240.738 1.992 10 0 BDAERO Cc1cc(NC[C@H]2CN(C)CCO2)cc[nH+]1 ZINC000167624856 178169627 /nfs/dbraw/zinc/16/96/27/178169627.db2.gz CLWGWYBUIXQXFG-LBPRGKRZSA-N 1 0 221.304 1.133 10 0 BDAERO Cc1cc(N[C@@H](C)C[NH+]2CCCC2)ncn1 ZINC000049184084 178178076 /nfs/dbraw/zinc/17/80/76/178178076.db2.gz YMYMXIAGZXVRGW-NSHDSACASA-N 1 0 220.320 1.681 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)NCc1cccs1 ZINC000082920453 136222087 /nfs/dbraw/zinc/22/20/87/136222087.db2.gz XNYSVBWTLGSEEG-ZJUUUORDSA-N 1 0 224.329 1.492 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCCCCCC1 ZINC000082920381 136222126 /nfs/dbraw/zinc/22/21/26/136222126.db2.gz WGRUSUWQLOFLID-NEPJUHHUSA-N 1 0 224.348 1.907 10 0 BDAERO Cc1cc(N[C@@H]2CCC(=O)N[C@@H]2C)cc[nH+]1 ZINC000281646360 178180481 /nfs/dbraw/zinc/18/04/81/178180481.db2.gz MZZNUCJSMPEEKW-MWLCHTKSSA-N 1 0 219.288 1.469 10 0 BDAERO C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC000386939300 398223163 /nfs/dbraw/zinc/22/31/63/398223163.db2.gz VKCNGICGFRNFKJ-JGPRNRPPSA-N 1 0 222.332 1.291 10 0 BDAERO Cc1cc(N[C@H]2CCc3ncnn3C2)cc[nH+]1 ZINC000274357383 178189964 /nfs/dbraw/zinc/18/99/64/178189964.db2.gz MHHHPUHIXMAVDF-NSHDSACASA-N 1 0 229.287 1.408 10 0 BDAERO Cc1cc(O[C@H]2C[NH2+]C[C@H]2O)ccc1C(C)C ZINC000104230967 178214216 /nfs/dbraw/zinc/21/42/16/178214216.db2.gz RBPQGJGNIIQIIN-KGLIPLIRSA-N 1 0 235.327 1.830 10 0 BDAERO Cc1cn[nH]c1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000421382944 192325528 /nfs/dbraw/zinc/32/55/28/192325528.db2.gz YZOOJDXUODKLMA-VHSXEESVSA-N 1 0 209.293 1.063 10 0 BDAERO Cc1cc(SC[C@@H]2CCC[NH2+]2)n(C)n1 ZINC000052311675 178218127 /nfs/dbraw/zinc/21/81/27/178218127.db2.gz OTMGMSOWXQNOGK-VIFPVBQESA-N 1 0 211.334 1.573 10 0 BDAERO CCC[C@H](C(=O)NC[C@@H]1CCCOC1)[NH+](C)C ZINC000179571800 259304459 /nfs/dbraw/zinc/30/44/59/259304459.db2.gz IPYVFMCXRWQUNY-NWDGAFQWSA-N 1 0 242.363 1.260 10 0 BDAERO C[C@H]1CCSCCN1C(=O)C(C)(C)[NH3+] ZINC000306642925 361773745 /nfs/dbraw/zinc/77/37/45/361773745.db2.gz VILDEDWLCFGOQU-QMMMGPOBSA-N 1 0 216.350 1.078 10 0 BDAERO Cc1csc(SC[C@@H]2C[NH2+]CCO2)n1 ZINC000070834311 361777909 /nfs/dbraw/zinc/77/79/09/361777909.db2.gz FJTYYUUECDSWKJ-QMMMGPOBSA-N 1 0 230.358 1.532 10 0 BDAERO Cc1cc([C@@H](N)C[NH3+])c(F)cc1Cl ZINC000072200610 178235334 /nfs/dbraw/zinc/23/53/34/178235334.db2.gz CKPIORYIQXECIO-VIFPVBQESA-N 1 0 202.660 1.746 10 0 BDAERO Cc1cc([C@@H]([NH3+])[C@H](C)S(C)(=O)=O)ccc1F ZINC000075429583 178236940 /nfs/dbraw/zinc/23/69/40/178236940.db2.gz MYJDYTTVKWHRHC-KWQFWETISA-N 1 0 245.319 1.567 10 0 BDAERO C[NH+]1CCC(Nc2ncccc2N)CC1 ZINC000037267290 361801340 /nfs/dbraw/zinc/80/13/40/361801340.db2.gz GDTAQBNDXYIEAO-UHFFFAOYSA-N 1 0 206.293 1.170 10 0 BDAERO Cc1cc([C@@H]([NH3+])[C@@H]2COCCO2)c(C)o1 ZINC000055301202 178237251 /nfs/dbraw/zinc/23/72/51/178237251.db2.gz DABKWGQRZQBYBU-WDEREUQCSA-N 1 0 211.261 1.312 10 0 BDAERO Cc1cc([C@@H]([NH2+]CC2CC2)C(N)=O)ccc1F ZINC000050558965 178237364 /nfs/dbraw/zinc/23/73/64/178237364.db2.gz KTOOLRSDVBYGJX-GFCCVEGCSA-N 1 0 236.290 1.660 10 0 BDAERO Cc1cc([C@@H]([NH2+]C2CC2)C(N)=O)ccc1F ZINC000050558960 178237561 /nfs/dbraw/zinc/23/75/61/178237561.db2.gz ZJUSBWKLWIWTOU-LLVKDONJSA-N 1 0 222.263 1.413 10 0 BDAERO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000165242085 538935044 /nfs/dbraw/zinc/93/50/44/538935044.db2.gz SPSSCESVILPWMS-MGPQQGTHSA-N 1 0 240.391 1.875 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccoc2)C1 ZINC000165245451 538935304 /nfs/dbraw/zinc/93/53/04/538935304.db2.gz XLLAOJWDEGTEGN-WCQYABFASA-N 1 0 238.331 1.651 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccnn1-c1ccccc1 ZINC000229470142 538939508 /nfs/dbraw/zinc/93/95/08/538939508.db2.gz HVAXTJFHLHLGHJ-ZDUSSCGKSA-N 1 0 231.299 1.515 10 0 BDAERO Cc1cc([C@H](C)n2nnnc2C[NH3+])c(C)s1 ZINC000054747088 178259588 /nfs/dbraw/zinc/25/95/88/178259588.db2.gz LTKYNAJNVJBJOO-ZETCQYMHSA-N 1 0 237.332 1.419 10 0 BDAERO CC1(C)c2ccc(C[NH3+])c(F)c2NC1=O ZINC000616571176 538938184 /nfs/dbraw/zinc/93/81/84/538938184.db2.gz PPOCMLFZYZWPHL-UHFFFAOYSA-N 1 0 208.236 1.514 10 0 BDAERO Cc1cc([C@H](O)CC[NH3+])c2ccccc2n1 ZINC000083300062 178264424 /nfs/dbraw/zinc/26/44/24/178264424.db2.gz BJWRAMJUWJBUEA-CYBMUJFWSA-N 1 0 216.284 1.925 10 0 BDAERO Cc1cc([C@]2(C)C[C@]2(C[NH3+])CO)c(C)o1 ZINC000070501125 178269597 /nfs/dbraw/zinc/26/95/97/178269597.db2.gz LDRSXVRLQNAALR-RYUDHWBXSA-N 1 0 209.289 1.495 10 0 BDAERO Cc1cc2c(cc1C)[S@](=O)CC[C@@H]2[NH3+] ZINC000040975004 178287174 /nfs/dbraw/zinc/28/71/74/178287174.db2.gz CMAJMYNFEVJZJH-HZMBPMFUSA-N 1 0 209.314 1.815 10 0 BDAERO Cc1cc2c(cc1C)[S@@](=O)CC[C@H]2[NH3+] ZINC000040975006 178287888 /nfs/dbraw/zinc/28/78/88/178287888.db2.gz CMAJMYNFEVJZJH-QMTHXVAHSA-N 1 0 209.314 1.815 10 0 BDAERO Cc1cnc(C)c(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000576570261 365627643 /nfs/dbraw/zinc/62/76/43/365627643.db2.gz LHCPKSPRIPZHLL-CQSZACIVSA-N 1 0 246.358 1.673 10 0 BDAERO Cc1cc2ncc(C[NH2+]C[C@@H]3CCCO3)cn2n1 ZINC000070165352 178304033 /nfs/dbraw/zinc/30/40/33/178304033.db2.gz GDJWCTHJYBYJSG-LBPRGKRZSA-N 1 0 246.314 1.306 10 0 BDAERO Cc1cc2ncn([C@@H]3C[NH2+]C[C@H]3O)c2cc1C ZINC000104253789 178304762 /nfs/dbraw/zinc/30/47/62/178304762.db2.gz HLUYWWGNOZFOCE-CHWSQXEVSA-N 1 0 231.299 1.158 10 0 BDAERO CC[N@H+](CCOCCO)C[C@@H]1Cc2ccccc21 ZINC000286710223 398250416 /nfs/dbraw/zinc/25/04/16/398250416.db2.gz BTBXRPFCZRDKLK-AWEZNQCLSA-N 1 0 249.354 1.657 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@H](OC)C2CC2)C1 ZINC000382169600 398256102 /nfs/dbraw/zinc/25/61/02/398256102.db2.gz VZUAYYYAXUOGEL-NEPJUHHUSA-N 1 0 212.337 1.095 10 0 BDAERO Cc1ccc(-c2nnc(CCC[NH3+])o2)cc1 ZINC000011585916 178339860 /nfs/dbraw/zinc/33/98/60/178339860.db2.gz SOXHNLQIHRAIGQ-UHFFFAOYSA-N 1 0 217.272 1.936 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000381397415 398255002 /nfs/dbraw/zinc/25/50/02/398255002.db2.gz PDCKADIDPQGYBK-YVECIDJPSA-N 1 0 226.364 1.341 10 0 BDAERO Cc1ccc(Br)cc1[C@@H](N)C[NH3+] ZINC000072201230 178362373 /nfs/dbraw/zinc/36/23/73/178362373.db2.gz VDJWBIHLYMAQPS-VIFPVBQESA-N 1 0 229.121 1.716 10 0 BDAERO Cc1ccc(-n2nncc2C[NH3+])cc1C ZINC000062236172 178350563 /nfs/dbraw/zinc/35/05/63/178350563.db2.gz ZGWYPTIBZVAGHH-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO CCC(CC)N(CCO)C(=O)C1([NH3+])CCCC1 ZINC000042526213 168371307 /nfs/dbraw/zinc/37/13/07/168371307.db2.gz MLPHDSOPTWTFML-UHFFFAOYSA-N 1 0 242.363 1.267 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@H](C)C[NH3+])cc1O ZINC000042454983 178378232 /nfs/dbraw/zinc/37/82/32/178378232.db2.gz MCMOTLGRJJYWTK-SECBINFHSA-N 1 0 236.315 1.367 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000042526135 168374080 /nfs/dbraw/zinc/37/40/80/168374080.db2.gz GGXIWUIUXNQTHK-PWSUYJOCSA-N 1 0 244.379 1.369 10 0 BDAERO CCCCNC(=O)NC[C@H]([NH3+])C(CC)CC ZINC000230630792 538950587 /nfs/dbraw/zinc/95/05/87/538950587.db2.gz KFACUFSTINJOSP-NSHDSACASA-N 1 0 229.368 1.849 10 0 BDAERO CCC(CC)N(CCO)c1ccc(C(N)=[NH2+])cc1 ZINC000042507925 168374851 /nfs/dbraw/zinc/37/48/51/168374851.db2.gz OYYLRUZOHJZLHG-UHFFFAOYSA-N 1 0 249.358 1.958 10 0 BDAERO Cc1ccsc1[C@H]([NH3+])[C@@H](C)S(C)(=O)=O ZINC000167674916 346828059 /nfs/dbraw/zinc/82/80/59/346828059.db2.gz JVHAQSSJFYXODE-HTQZYQBOSA-N 1 0 233.358 1.489 10 0 BDAERO CN(C[C@@H]1CCCCC1(F)F)C1C[NH2+]C1 ZINC000381750830 398270624 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/nfs/dbraw/zinc/88/61/51/342886151.db2.gz LXOFPTIZIQACQO-MNOVXSKESA-N 1 0 224.348 1.538 10 0 BDAERO CC(C)c1noc([C@@H]2CSC[C@@H]2[NH3+])n1 ZINC000134796252 342890294 /nfs/dbraw/zinc/89/02/94/342890294.db2.gz HBJKUTBPRKXAOO-RQJHMYQMSA-N 1 0 213.306 1.351 10 0 BDAERO Clc1csc(NC[C@H]2CCC[NH2+]2)n1 ZINC000165293919 342900631 /nfs/dbraw/zinc/90/06/31/342900631.db2.gz AZGSSNGKQWEFDQ-ZCFIWIBFSA-N 1 0 217.725 1.960 10 0 BDAERO CC[C@@H]1CS[C@@]2(CC[C@@H](C)OC2)[NH2+]1 ZINC000401688733 342903034 /nfs/dbraw/zinc/90/30/34/342903034.db2.gz ZAJXZFOVSABJSP-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@H]([NH3+])CNc1nc(Cl)cs1 ZINC000165307292 342903974 /nfs/dbraw/zinc/90/39/74/342903974.db2.gz HEMOLVZLNGNPRX-YFKPBYRVSA-N 1 0 205.714 1.946 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc2ncsc2c1 ZINC000234435276 342925417 /nfs/dbraw/zinc/92/54/17/342925417.db2.gz OMYWAYAXJQHQJN-SSDOTTSWSA-N 1 0 235.312 1.843 10 0 BDAERO COC(=O)CC[NH2+][C@H](C)c1ccc(C)o1 ZINC000036891764 342914004 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349750553 /nfs/dbraw/zinc/75/05/53/349750553.db2.gz LPWGCHWEQCBWGI-KXNHARMFSA-N 1 0 227.348 1.551 10 0 BDAERO C(CN1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000086930921 259341864 /nfs/dbraw/zinc/34/18/64/259341864.db2.gz RXLSQMBBGOBWIG-OLZOCXBDSA-N 1 0 224.348 1.336 10 0 BDAERO C[n+]1ccc(C2=NC(=S)SC2)cc1 ZINC000117702703 343013211 /nfs/dbraw/zinc/01/32/11/343013211.db2.gz KLYZRPWWEZXDGQ-UHFFFAOYSA-O 1 0 209.319 1.923 10 0 BDAERO CC1CC(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)C1 ZINC000309517268 259343311 /nfs/dbraw/zinc/34/33/11/259343311.db2.gz SDUCEQCBELFUIQ-LIZLNQBYSA-N 1 0 210.321 1.241 10 0 BDAERO C[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@@H]1[NH3+] ZINC000235688575 343055257 /nfs/dbraw/zinc/05/52/57/343055257.db2.gz ZWGOPRZKXZETLH-ONGXEEELSA-N 1 0 243.310 1.587 10 0 BDAERO Cc1ccc(C)c(OCCOCC[NH3+])c1 ZINC000020221428 178488711 /nfs/dbraw/zinc/48/87/11/178488711.db2.gz SYGIIXABCBVBCH-UHFFFAOYSA-N 1 0 209.289 1.658 10 0 BDAERO C[C@@H]([NH3+])[C@@H](N1CCSCC1)C(F)(F)F ZINC000043376804 343059786 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/nfs/dbraw/zinc/08/27/78/343082778.db2.gz RDKQARRQCDZYIK-UHFFFAOYSA-N 1 0 242.282 1.805 10 0 BDAERO Nc1cnccc1SC[C@@H]1CCC[NH2+]1 ZINC000043497522 343092208 /nfs/dbraw/zinc/09/22/08/343092208.db2.gz CBMKVHYUZOHRAV-QMMMGPOBSA-N 1 0 209.318 1.508 10 0 BDAERO C[N@H+](Cc1csc(=NN)[nH]1)C(C)(C)C ZINC000306668688 362027591 /nfs/dbraw/zinc/02/75/91/362027591.db2.gz GAEGIWALSUAOET-UHFFFAOYSA-N 1 0 214.338 1.659 10 0 BDAERO CCNc1c(N)c[nH+]c2ccc(C)cc21 ZINC000584882504 343085160 /nfs/dbraw/zinc/08/51/60/343085160.db2.gz ITAYMCXSVPZYAV-UHFFFAOYSA-N 1 0 201.273 1.979 10 0 BDAERO C[NH2+]C[C@H](O)C[C@@](C)(O)C1CCCCC1 ZINC000584883029 343085951 /nfs/dbraw/zinc/08/59/51/343085951.db2.gz DXQJQNMOLWNOCB-VXGBXAGGSA-N 1 0 215.337 1.288 10 0 BDAERO CO[C@@H]1CCC[N@@H+]([C@H]2CCCC(=O)C2)C1 ZINC000299906745 349794735 /nfs/dbraw/zinc/79/47/35/349794735.db2.gz HKFSLPILNFBIGZ-CMPLNLGQSA-N 1 0 211.305 1.609 10 0 BDAERO CC[NH2+]C[C@@H](O)C[C@@](C)(O)C(C)(C)C ZINC000196400146 343077309 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VOMUZWBJFMPEQU-UHFFFAOYSA-N 1 0 245.706 1.439 10 0 BDAERO CC[C@@H]1CCCC[N@@H+]1[C@@H](C)C(N)=S ZINC000043514001 343115609 /nfs/dbraw/zinc/11/56/09/343115609.db2.gz LEELKWUGPUOJIO-DTWKUNHWSA-N 1 0 200.351 1.926 10 0 BDAERO Cc1ccc(C)c([C@@H]2NC(=O)CC[C@@H]2[NH3+])c1 ZINC000070647496 178498439 /nfs/dbraw/zinc/49/84/39/178498439.db2.gz UPYPRPCKBNPMKS-AAEUAGOBSA-N 1 0 218.300 1.582 10 0 BDAERO Fc1ccc2cc(C[C@H]3CCC[NH2+]3)[nH]c2n1 ZINC000029130385 343136446 /nfs/dbraw/zinc/13/64/46/343136446.db2.gz NWXQBIGZOUYUBE-SECBINFHSA-N 1 0 219.263 1.997 10 0 BDAERO C[C@@]1(C(=O)N[C@@H]2CC=CCC2)CCCC[NH2+]1 ZINC000127531939 343178311 /nfs/dbraw/zinc/17/83/11/343178311.db2.gz JOYXVWSDKJATFX-YPMHNXCESA-N 1 0 222.332 1.744 10 0 BDAERO C[C@H]1CCCN(C(=O)C2([NH3+])CCOCC2)[C@H]1C ZINC000127912680 343179511 /nfs/dbraw/zinc/17/95/11/343179511.db2.gz RSXULJNGIMNLCC-QWRGUYRKSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@@H]1CC[C@H](C)CN1C(=O)C1([NH3+])CCOCC1 ZINC000127999316 343179783 /nfs/dbraw/zinc/17/97/83/343179783.db2.gz PARIFSZNSLEVEC-WDEREUQCSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@H](CCC[NH3+])NC(=O)c1ccc(N(C)C)cc1 ZINC000094947801 343154045 /nfs/dbraw/zinc/15/40/45/343154045.db2.gz XCHSCMVNTOCKFY-LLVKDONJSA-N 1 0 249.358 1.610 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](C)COC ZINC000094449364 343155967 /nfs/dbraw/zinc/15/59/67/343155967.db2.gz HRPWSAAWDDZUFN-MGPQQGTHSA-N 1 0 240.391 1.828 10 0 BDAERO C[C@H]1CN(c2ncnc3ccccc32)CC[C@@H]1[NH3+] ZINC000094342643 343156140 /nfs/dbraw/zinc/15/61/40/343156140.db2.gz WKBPGPFXGXKOJJ-JQWIXIFHSA-N 1 0 242.326 1.803 10 0 BDAERO Cc1cc2c(NCC3CC[NH2+]CC3)nccn2n1 ZINC000129758339 343185059 /nfs/dbraw/zinc/18/50/59/343185059.db2.gz XMSMMBAYAWQYMC-UHFFFAOYSA-N 1 0 245.330 1.449 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCS1 ZINC000123374886 343162228 /nfs/dbraw/zinc/16/22/28/343162228.db2.gz QOXXCIWRJNFVQN-GHMZBOCLSA-N 1 0 242.388 1.340 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCCC(F)(F)F ZINC000124322980 343167376 /nfs/dbraw/zinc/16/73/76/343167376.db2.gz HQMOTKZNRBYRDF-ZCFIWIBFSA-N 1 0 212.215 1.053 10 0 BDAERO Cc1cnc(C)c(N[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000165750309 343212104 /nfs/dbraw/zinc/21/21/04/343212104.db2.gz CZPVVLRHVBSZNO-HTQZYQBOSA-N 1 0 208.309 1.631 10 0 BDAERO COc1cc(N[C@@H](C)C[C@@H](C)[NH3+])ncn1 ZINC000165764126 343212265 /nfs/dbraw/zinc/21/22/65/343212265.db2.gz WYCQPJTXIDNYIF-SFYZADRCSA-N 1 0 210.281 1.023 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1c1nc(-c2ccco2)no1 ZINC000071001752 343225032 /nfs/dbraw/zinc/22/50/32/343225032.db2.gz UCXWAVZQCNPUCC-HTQZYQBOSA-N 1 0 219.244 1.924 10 0 BDAERO CC[C@H]([NH3+])CC(=O)Nc1ncc(C)s1 ZINC000127124732 343234275 /nfs/dbraw/zinc/23/42/75/343234275.db2.gz XZIAOZZJCWAGLL-ZETCQYMHSA-N 1 0 213.306 1.517 10 0 BDAERO CCOc1ccc(C(=O)CC[NH2+]C)cc1 ZINC000033893246 343262391 /nfs/dbraw/zinc/26/23/91/343262391.db2.gz ZXSAYNRSJSCKCC-UHFFFAOYSA-N 1 0 207.273 1.878 10 0 BDAERO Fc1ccc([C@]23CCC[NH2+]C[C@H](CO2)O3)cc1 ZINC000033886235 343262474 /nfs/dbraw/zinc/26/24/74/343262474.db2.gz GJLIAPBJAORBTB-CHWSQXEVSA-N 1 0 237.274 1.777 10 0 BDAERO NC(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000139044477 343277541 /nfs/dbraw/zinc/27/75/41/343277541.db2.gz GNBJIDHXFRZLKJ-UHFFFAOYSA-N 1 0 218.300 1.328 10 0 BDAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC000035793222 343304344 /nfs/dbraw/zinc/30/43/44/343304344.db2.gz FPAOELVJKZYPOD-UWVGGRQHSA-N 1 0 236.315 1.610 10 0 BDAERO CC(C)(C)[C@H]([NH3+])CN1CCSCC1 ZINC000157774195 343361915 /nfs/dbraw/zinc/36/19/15/343361915.db2.gz YNUXKLMLNIJYTC-SECBINFHSA-N 1 0 202.367 1.409 10 0 BDAERO C1=C2C(CC[NH+]3CCCCC3)=NO[C@@H]2NCCC1 ZINC000038805218 343379350 /nfs/dbraw/zinc/37/93/50/343379350.db2.gz QYEIOZGTCBEVQC-AWEZNQCLSA-N 1 0 249.358 1.885 10 0 BDAERO CC(=O)Nc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040563 343367276 /nfs/dbraw/zinc/36/72/76/343367276.db2.gz SNIVOWYQWQHPJW-UHFFFAOYSA-N 1 0 233.315 1.809 10 0 BDAERO CCOc1ccccc1[C@H](C)[NH2+]CC(=O)NC ZINC000037224786 343340284 /nfs/dbraw/zinc/34/02/84/343340284.db2.gz OMQYRIBLSXXXJC-JTQLQIEISA-N 1 0 236.315 1.482 10 0 BDAERO Cc1nnc(N2CC[C@@H](C)[C@H]2C[NH3+])s1 ZINC000299907214 349806091 /nfs/dbraw/zinc/80/60/91/349806091.db2.gz HAZARMOWDNSOMH-HTRCEHHLSA-N 1 0 212.322 1.020 10 0 BDAERO CCC(O)(CC)C[NH2+][C@H](CO)c1ccccc1 ZINC000166214804 136309495 /nfs/dbraw/zinc/30/94/95/136309495.db2.gz MSOWKUUUYWIGJE-CYBMUJFWSA-N 1 0 237.343 1.861 10 0 BDAERO CN1CC[NH+]=C1SCc1ccccn1 ZINC000039105642 343384850 /nfs/dbraw/zinc/38/48/50/343384850.db2.gz UKQYJNXDPQVSFD-UHFFFAOYSA-N 1 0 207.302 1.616 10 0 BDAERO Cc1ccc2nc3c(nc2c1)CC[NH2+]CC3 ZINC000039109440 343384946 /nfs/dbraw/zinc/38/49/46/343384946.db2.gz TZQIRYGNIXBZMO-UHFFFAOYSA-N 1 0 213.284 1.626 10 0 BDAERO [NH3+][C@@H](CCO)c1nc2c(cccc2Cl)[nH]1 ZINC000040710375 343408562 /nfs/dbraw/zinc/40/85/62/343408562.db2.gz SMHILOPKTLIQKX-ZETCQYMHSA-N 1 0 225.679 1.599 10 0 BDAERO c1ccc(CCCCNN2CC[NH2+]CC2)cc1 ZINC000040872696 343410594 /nfs/dbraw/zinc/41/05/94/343410594.db2.gz JQZLQAUUKBHMFG-UHFFFAOYSA-N 1 0 233.359 1.419 10 0 BDAERO CCC1(C(=O)OC[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000062845961 168442524 /nfs/dbraw/zinc/44/25/24/168442524.db2.gz LAYGMYDGDRLSBU-LLVKDONJSA-N 1 0 241.331 1.346 10 0 BDAERO CC(C)C[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082559159 343448189 /nfs/dbraw/zinc/44/81/89/343448189.db2.gz SYKOWODAMLDRGK-DCAQKATOSA-N 1 0 212.337 1.393 10 0 BDAERO Cc1cc(N(C)CC[NH+](C)C)ccc1N ZINC000082539841 343449228 /nfs/dbraw/zinc/44/92/28/343449228.db2.gz VCLBWMQZZJMWNI-UHFFFAOYSA-N 1 0 207.321 1.575 10 0 BDAERO CCC[C@@H](C)[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000378473739 136366453 /nfs/dbraw/zinc/36/64/53/136366453.db2.gz PPGDXXSVUBDBDR-MWLCHTKSSA-N 1 0 222.336 1.680 10 0 BDAERO COCCCC[NH2+]Cc1ccnc(C)n1 ZINC000054790870 136372912 /nfs/dbraw/zinc/37/29/12/136372912.db2.gz OZDYIBYYRXHZKF-UHFFFAOYSA-N 1 0 209.293 1.301 10 0 BDAERO Cc1nccc(CN[C@H](C)C[NH+]2CCCCC2)n1 ZINC000054790641 136373244 /nfs/dbraw/zinc/37/32/44/136373244.db2.gz OQTWVMUJEFYMRV-GFCCVEGCSA-N 1 0 248.374 1.749 10 0 BDAERO CC1(C)CN(C(=O)c2ccccc2)CC[C@H]1[NH3+] ZINC000258994927 136374175 /nfs/dbraw/zinc/37/41/75/136374175.db2.gz BRCRRJYPRNFNEO-GFCCVEGCSA-N 1 0 232.327 1.886 10 0 BDAERO O=C1c2ccccc2C(=O)N1C[C@@H]1CCC[NH2+]1 ZINC000043496004 343475918 /nfs/dbraw/zinc/47/59/18/343475918.db2.gz ZVNDTFFBORBYMW-VIFPVBQESA-N 1 0 230.267 1.035 10 0 BDAERO Cc1nsc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000083649153 343494233 /nfs/dbraw/zinc/49/42/33/343494233.db2.gz ODICVDRWJCRDQR-QMMMGPOBSA-N 1 0 214.338 1.632 10 0 BDAERO CCCc1nsc(NCC[C@@H](C)[NH3+])n1 ZINC000083670506 343494998 /nfs/dbraw/zinc/49/49/98/343494998.db2.gz KTOTUXVIKJVWNG-SSDOTTSWSA-N 1 0 214.338 1.640 10 0 BDAERO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](O)C2)n1 ZINC000112716787 343508159 /nfs/dbraw/zinc/50/81/59/343508159.db2.gz KADGRXOYAKNGGQ-QWRGUYRKSA-N 1 0 236.315 1.489 10 0 BDAERO CC[NH2+][C@H](C)CNc1nccc(C(F)(F)F)n1 ZINC000387612785 346945526 /nfs/dbraw/zinc/94/55/26/346945526.db2.gz ZDIQEDRIZZCDRS-SSDOTTSWSA-N 1 0 248.252 1.905 10 0 BDAERO [NH3+][C@H](CO)Cc1sccc1Br ZINC000044464255 343501618 /nfs/dbraw/zinc/50/16/18/343501618.db2.gz CLCBKOZNQANWHY-YFKPBYRVSA-N 1 0 236.134 1.373 10 0 BDAERO COC(C[C@H]1[NH2+]CCc2ccsc21)OC ZINC000712513115 537786980 /nfs/dbraw/zinc/78/69/80/537786980.db2.gz LVKLYWGVNBZTFY-SECBINFHSA-N 1 0 227.329 1.944 10 0 BDAERO C[NH+]1CCC(Nc2cc(Cl)ncn2)CC1 ZINC000048631223 343585462 /nfs/dbraw/zinc/58/54/62/343585462.db2.gz PQFYHKNOYWWMAC-UHFFFAOYSA-N 1 0 226.711 1.636 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000624235844 343579272 /nfs/dbraw/zinc/57/92/72/343579272.db2.gz QRXGAOSLVPLLIC-SOUVJXGZSA-N 1 0 247.338 1.803 10 0 BDAERO CC(C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624236920 343581652 /nfs/dbraw/zinc/58/16/52/343581652.db2.gz MUBGSXUBIQBXJU-PQAZSJQKSA-N 1 0 241.375 1.941 10 0 BDAERO CCCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000087121664 343637754 /nfs/dbraw/zinc/63/77/54/343637754.db2.gz MILPYWQPXALSGI-WDEREUQCSA-N 1 0 212.337 1.681 10 0 BDAERO C/C=C/[S@](=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000205683708 343642864 /nfs/dbraw/zinc/64/28/64/343642864.db2.gz YFDLCULDMNJDEQ-PXXTUZSDSA-N 1 0 223.341 1.839 10 0 BDAERO C[C@H]1C[C@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712581047 537794475 /nfs/dbraw/zinc/79/44/75/537794475.db2.gz BZASNTHSSOFQEC-GZMMTYOYSA-N 1 0 209.314 1.898 10 0 BDAERO Cn1cc([C@@H]2[NH2+]CCc3ccsc32)cn1 ZINC000712581958 537795051 /nfs/dbraw/zinc/79/50/51/537795051.db2.gz NDYBNIRZNZSFQG-JTQLQIEISA-N 1 0 219.313 1.717 10 0 BDAERO CC(C)(C)NC(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000227618451 537795501 /nfs/dbraw/zinc/79/55/01/537795501.db2.gz QXJYNJVXRSAFSW-IUCAKERBSA-N 1 0 213.325 1.212 10 0 BDAERO CC(C)[C@@H]1CC[NH+]=C2N[C@H]3CCCC[C@H]3N21 ZINC000300015115 537801629 /nfs/dbraw/zinc/80/16/29/537801629.db2.gz GFMIVHUVKWUHND-SDDRHHMPSA-N 1 0 221.348 1.987 10 0 BDAERO C[C@@H]1CN2C(=[NH+]1)N[C@H](C)C[C@H]2C(F)(F)F ZINC000300017751 537802119 /nfs/dbraw/zinc/80/21/19/537802119.db2.gz SKUIIIJHGXSXJR-QYNIQEEDSA-N 1 0 221.226 1.359 10 0 BDAERO Cc1c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccn1C ZINC000195246625 537803383 /nfs/dbraw/zinc/80/33/83/537803383.db2.gz HARAGFDYVDPWRW-GFCCVEGCSA-N 1 0 247.342 1.254 10 0 BDAERO CCc1nc([C@@]2([NH3+])CCS[C@H]2C)no1 ZINC000234227294 343709390 /nfs/dbraw/zinc/70/93/90/343709390.db2.gz IEPWYXQOXUCXEN-IMTBSYHQSA-N 1 0 213.306 1.311 10 0 BDAERO Cc1cc(NN)[nH+]c(-c2ccsc2)n1 ZINC000051152349 346963122 /nfs/dbraw/zinc/96/31/22/346963122.db2.gz IXCNSIABMDLVJN-UHFFFAOYSA-N 1 0 206.274 1.799 10 0 BDAERO C[C@@H](CC(=O)N[C@@H]1CCC[NH2+]C1)C(C)(C)C ZINC000082628054 133504267 /nfs/dbraw/zinc/50/42/67/133504267.db2.gz JZCYDPBALFQZAD-WDEREUQCSA-N 1 0 226.364 1.927 10 0 BDAERO Cc1nc(CC[NH+](C)C)nc(Cl)c1F ZINC000167762732 346966147 /nfs/dbraw/zinc/96/61/47/346966147.db2.gz WBCWZQPWFYWDMI-UHFFFAOYSA-N 1 0 217.675 1.682 10 0 BDAERO C[N@@H+]1CCCN(c2cc(Cl)ncn2)CC1 ZINC000048631174 343781857 /nfs/dbraw/zinc/78/18/57/343781857.db2.gz OCHGJMURGXQRCB-UHFFFAOYSA-N 1 0 226.711 1.272 10 0 BDAERO c1cnc2ccc([C@H]3C[NH2+]CCN3)cc2c1 ZINC000309151310 346971824 /nfs/dbraw/zinc/97/18/24/346971824.db2.gz IMUXJMFZZVTPHT-CYBMUJFWSA-N 1 0 213.284 1.469 10 0 BDAERO c1cc([C@@H]2[NH2+]CCS2)cc2c1OCC2 ZINC000050522911 343782803 /nfs/dbraw/zinc/78/28/03/343782803.db2.gz HZBYZMGGLZTYJU-LLVKDONJSA-N 1 0 207.298 1.957 10 0 BDAERO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCC[NH2+]1 ZINC000040458702 343783983 /nfs/dbraw/zinc/78/39/83/343783983.db2.gz UEAGUBDTFWOBST-MXWKQRLJSA-N 1 0 210.321 1.528 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCC(C(F)F)CC1 ZINC000307883287 343790179 /nfs/dbraw/zinc/79/01/79/343790179.db2.gz HFEJUARXCSBBJP-JTQLQIEISA-N 1 0 246.301 1.490 10 0 BDAERO Cc1ccc(Cn2cc(C[NH3+])nn2)c(Cl)c1 ZINC000235875903 343795528 /nfs/dbraw/zinc/79/55/28/343795528.db2.gz DGBUAGKSELLVTB-UHFFFAOYSA-N 1 0 236.706 1.747 10 0 BDAERO CCN(CC)C(=O)O[C@H]1CC[C@H]([NH3+])CC1 ZINC000299892149 343796909 /nfs/dbraw/zinc/79/69/09/343796909.db2.gz PFOSGPLWCKLBIN-MGCOHNPYSA-N 1 0 214.309 1.735 10 0 BDAERO CCOC[C@@H]1C[N@H+](CCN)CC12CCCC2 ZINC000409426418 343797867 /nfs/dbraw/zinc/79/78/67/343797867.db2.gz CGYXYSFICACJFO-LBPRGKRZSA-N 1 0 226.364 1.474 10 0 BDAERO Cc1nc(Cl)cc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000409426853 343798877 /nfs/dbraw/zinc/79/88/77/343798877.db2.gz GVPAWKDRWXBPKO-SECBINFHSA-N 1 0 240.738 1.614 10 0 BDAERO CCN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000409426937 343799553 /nfs/dbraw/zinc/79/95/53/343799553.db2.gz DFNZYNPHFNQJLH-QWRGUYRKSA-N 1 0 242.388 1.340 10 0 BDAERO [NH3+]Cc1ncn2c1CO[C@@H](c1ccsc1)C2 ZINC000409427256 343800533 /nfs/dbraw/zinc/80/05/33/343800533.db2.gz ILACBFVCWVVSNX-LLVKDONJSA-N 1 0 235.312 1.675 10 0 BDAERO Cc1cc(C)c2c(c1)cc(C[NH3+])c(=O)n2C ZINC000409422190 343812710 /nfs/dbraw/zinc/81/27/10/343812710.db2.gz CLPUZGYVIMZVFV-UHFFFAOYSA-N 1 0 216.284 1.614 10 0 BDAERO COCC[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000336652870 537820780 /nfs/dbraw/zinc/82/07/80/537820780.db2.gz LHLRNOVFCGFVTA-ZJUUUORDSA-N 1 0 203.351 1.849 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2ccnc(Cl)n2)C1 ZINC000062983251 349868985 /nfs/dbraw/zinc/86/89/85/349868985.db2.gz KAZUMNMMCSVCGS-QMMMGPOBSA-N 1 0 226.711 1.270 10 0 BDAERO CC(C)C[N@@H+]1CC[C@@H](Cn2cc(C=O)nn2)C1 ZINC000409423769 343816300 /nfs/dbraw/zinc/81/63/00/343816300.db2.gz CXPZDDWKFBZOIZ-LLVKDONJSA-N 1 0 236.319 1.069 10 0 BDAERO C[NH2+]Cc1nc(-c2cccn2CC(C)C)no1 ZINC000409424300 343817243 /nfs/dbraw/zinc/81/72/43/343817243.db2.gz XYMMNIGUBYGYCN-UHFFFAOYSA-N 1 0 234.303 1.914 10 0 BDAERO CC(C)C[N@@H+]1CCC[C@H](n2cc(C=O)nn2)C1 ZINC000409424792 343817625 /nfs/dbraw/zinc/81/76/25/343817625.db2.gz IGLNKMYUXRSPKP-LBPRGKRZSA-N 1 0 236.319 1.384 10 0 BDAERO CC1(CF)CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000409425662 343820419 /nfs/dbraw/zinc/82/04/19/343820419.db2.gz BBHDAPCNWXDGEH-UHFFFAOYSA-N 1 0 242.338 1.584 10 0 BDAERO O=C([C@@H]1CCCC[NH2+]1)N1CCC(CF)CC1 ZINC000409426167 343821471 /nfs/dbraw/zinc/82/14/71/343821471.db2.gz HQNLWXPTTBUQSA-NSHDSACASA-N 1 0 228.311 1.337 10 0 BDAERO [NH3+]Cc1nnn2c1CO[C@@H](c1ccccc1)C2 ZINC000409426165 343821487 /nfs/dbraw/zinc/82/14/87/343821487.db2.gz DMLQBARNFIFTGY-GFCCVEGCSA-N 1 0 230.271 1.008 10 0 BDAERO c1nn(CC2CC2)cc1C1CC[NH2+]CC1 ZINC000409426105 343821545 /nfs/dbraw/zinc/82/15/45/343821545.db2.gz ODLCEZLVYKHMQL-UHFFFAOYSA-N 1 0 205.305 1.760 10 0 BDAERO CC(F)(F)C1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000409432163 343825648 /nfs/dbraw/zinc/82/56/48/343825648.db2.gz UPDDLCCGBAHODO-SECBINFHSA-N 1 0 246.301 1.490 10 0 BDAERO CCOC[C@H]1CN(C(=O)CC[NH3+])CC12CCC2 ZINC000409432661 343826861 /nfs/dbraw/zinc/82/68/61/343826861.db2.gz LNRPTYYGKPVOPY-LLVKDONJSA-N 1 0 240.347 1.000 10 0 BDAERO [NH3+]CCN1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409429600 343806062 /nfs/dbraw/zinc/80/60/62/343806062.db2.gz OTQJLZQOJWJNRS-RKDXNWHRSA-N 1 0 204.264 1.312 10 0 BDAERO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000336658157 537819447 /nfs/dbraw/zinc/81/94/47/537819447.db2.gz IOEQGOXPIFHICF-AVGNSLFASA-N 1 0 226.364 1.341 10 0 BDAERO CCOC[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000409432744 343827535 /nfs/dbraw/zinc/82/75/35/343827535.db2.gz WHMRVQRYSUGWQL-RYUDHWBXSA-N 1 0 240.347 1.156 10 0 BDAERO [NH3+]CCc1c(-c2cccnc2)n[nH]c1C1CC1 ZINC000409441005 343854471 /nfs/dbraw/zinc/85/44/71/343854471.db2.gz PCWRDMHIKGQPLC-UHFFFAOYSA-N 1 0 228.299 1.850 10 0 BDAERO c1cn(C[C@H]2CCC[NH2+]2)nc1-c1ccncc1 ZINC000409441018 343854919 /nfs/dbraw/zinc/85/49/19/343854919.db2.gz PGJDOVBSGXOADK-GFCCVEGCSA-N 1 0 228.299 1.697 10 0 BDAERO Cc1cc(-c2ccsc2)nn1CC[NH3+] ZINC000409441084 343855214 /nfs/dbraw/zinc/85/52/14/343855214.db2.gz QDCFRNCADOFRMU-UHFFFAOYSA-N 1 0 207.302 1.879 10 0 BDAERO [NH2+]=C(NO)[C@@H]([C@H]1CCOC1)n1cccc1 ZINC000409440874 343856043 /nfs/dbraw/zinc/85/60/43/343856043.db2.gz MMDWPCFVBQKUPC-DTWKUNHWSA-N 1 0 209.249 1.022 10 0 BDAERO c1cn(C2CC[NH2+]CC2)nc1-c1ccccn1 ZINC000409441273 343856114 /nfs/dbraw/zinc/85/61/14/343856114.db2.gz QNTFMZJMNJSPRN-UHFFFAOYSA-N 1 0 228.299 1.870 10 0 BDAERO NC(=[NH2+])Cn1cc(-c2ccsc2)cn1 ZINC000409440822 343856302 /nfs/dbraw/zinc/85/63/02/343856302.db2.gz VBCVFNPUHBNTMK-UHFFFAOYSA-N 1 0 206.274 1.548 10 0 BDAERO OCc1ccc2c(c1)CCN2C1CC[NH2+]CC1 ZINC000409435952 343836072 /nfs/dbraw/zinc/83/60/72/343836072.db2.gz XLSPXWUQKMEWJN-UHFFFAOYSA-N 1 0 232.327 1.293 10 0 BDAERO [NH2+]=C(NO)[C@H](c1cccnc1)N1CCCC1 ZINC000409440895 343856756 /nfs/dbraw/zinc/85/67/56/343856756.db2.gz MTAJSFXMVINGFS-JTQLQIEISA-N 1 0 220.276 1.175 10 0 BDAERO CC(C)(C)c1cc2n(CCC[NH3+])ccn2n1 ZINC000409436981 343841722 /nfs/dbraw/zinc/84/17/22/343841722.db2.gz CXCILFVGULMVHF-UHFFFAOYSA-N 1 0 220.320 1.782 10 0 BDAERO Cc1nn2ccn(CC3CCC3)c2c1C[NH3+] ZINC000409437162 343842217 /nfs/dbraw/zinc/84/22/17/343842217.db2.gz CUCPYYLLFMQNKJ-UHFFFAOYSA-N 1 0 218.304 1.703 10 0 BDAERO NC(=[NH2+])Cn1ccn2nc(-c3ccsc3)cc12 ZINC000409437199 343842433 /nfs/dbraw/zinc/84/24/33/343842433.db2.gz DHISWKZHFHFNHD-UHFFFAOYSA-N 1 0 245.311 1.800 10 0 BDAERO CCc1cc2n(n1)CCN([C@H]1CCC[NH2+]C1)C2 ZINC000409437410 343842914 /nfs/dbraw/zinc/84/29/14/343842914.db2.gz GIULBVVOOPLRSW-LBPRGKRZSA-N 1 0 234.347 1.013 10 0 BDAERO CN[C@@H](c1noc(C2CC2)n1)c1ccncc1 ZINC000409438568 343844748 /nfs/dbraw/zinc/84/47/48/343844748.db2.gz DCSRXAZDNDVMFR-SNVBAGLBSA-N 1 0 230.271 1.651 10 0 BDAERO NC(=[NH2+])Cc1c[nH]nc1-c1ccsc1 ZINC000409438585 343844800 /nfs/dbraw/zinc/84/48/00/343844800.db2.gz LZBNRPUJPZMFGD-UHFFFAOYSA-N 1 0 206.274 1.617 10 0 BDAERO C[C@@H](c1noc(C2C[NH2+]C2)n1)n1cccc1 ZINC000409438907 343845972 /nfs/dbraw/zinc/84/59/72/343845972.db2.gz DZKOPTFCUIJNNR-QMMMGPOBSA-N 1 0 218.260 1.167 10 0 BDAERO Nc1cc(C(F)(F)F)nn1[C@H]1CCC[NH2+]C1 ZINC000409439201 343846825 /nfs/dbraw/zinc/84/68/25/343846825.db2.gz OIHMTGYOAJNAQO-LURJTMIESA-N 1 0 234.225 1.409 10 0 BDAERO NC(=[NH2+])CCc1c[nH]nc1-c1ccoc1 ZINC000409439225 343847038 /nfs/dbraw/zinc/84/70/38/343847038.db2.gz HPTLKRSHRNRYPJ-UHFFFAOYSA-N 1 0 204.233 1.538 10 0 BDAERO NC(=[NH2+])c1cn(CCF)nc1-c1ccccc1 ZINC000409437698 343848497 /nfs/dbraw/zinc/84/84/97/343848497.db2.gz IDBRWJZOBLUDDL-UHFFFAOYSA-N 1 0 232.262 1.804 10 0 BDAERO CCN(CC)c1ccc([C@@H](C[NH3+])N(C)C)o1 ZINC000409437705 343848504 /nfs/dbraw/zinc/84/85/04/343848504.db2.gz AWGFKMFPAMLQQH-SNVBAGLBSA-N 1 0 225.336 1.687 10 0 BDAERO C[N@@H+]1C[C@@H](CO)C[C@@H]1c1ccc(F)cc1 ZINC000409437785 343848938 /nfs/dbraw/zinc/84/89/38/343848938.db2.gz BGACITNEZTWFQD-JOYOIKCWSA-N 1 0 209.264 1.811 10 0 BDAERO CCn1nc(-c2cccnc2)c2c1CC[NH2+]C2 ZINC000409437870 343849345 /nfs/dbraw/zinc/84/93/45/343849345.db2.gz JMFWRNQUBMZANI-UHFFFAOYSA-N 1 0 228.299 1.611 10 0 BDAERO [NH3+]Cc1cn(CC2CC2)nc1-c1ccncc1 ZINC000409438243 343850336 /nfs/dbraw/zinc/85/03/36/343850336.db2.gz LEGVZNAPIOOKIJ-UHFFFAOYSA-N 1 0 228.299 1.814 10 0 BDAERO CN1C(=O)[C@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000409440382 343852014 /nfs/dbraw/zinc/85/20/14/343852014.db2.gz KOZJWIOYKHCNLP-ZJUUUORDSA-N 1 0 224.691 1.571 10 0 BDAERO Cn1cc(CC(N)=[NH2+])c(-c2ccccc2)n1 ZINC000409440394 343852019 /nfs/dbraw/zinc/85/20/19/343852019.db2.gz STLFMPACCOPXRL-UHFFFAOYSA-N 1 0 214.272 1.566 10 0 BDAERO COc1cccc([C@@H]2C[C@@H](CO)C[N@@H+]2C)c1 ZINC000409440627 343852823 /nfs/dbraw/zinc/85/28/23/343852823.db2.gz LRKOVRPDELWYFR-MFKMUULPSA-N 1 0 221.300 1.680 10 0 BDAERO CC(C)[NH+]1CCC(n2ccc(N)n2)CC1 ZINC000221385244 347004166 /nfs/dbraw/zinc/00/41/66/347004166.db2.gz AWSOSEPLAFGFNH-UHFFFAOYSA-N 1 0 208.309 1.511 10 0 BDAERO CC(C)(c1noc(C2C[NH2+]C2)n1)n1cccc1 ZINC000409442367 343857827 /nfs/dbraw/zinc/85/78/27/343857827.db2.gz VAJZDQLJIGHDML-UHFFFAOYSA-N 1 0 232.287 1.341 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H]1c1noc(C2CC2)n1 ZINC000409441383 343859099 /nfs/dbraw/zinc/85/90/99/343859099.db2.gz PDLSCSZKSRVXJY-IUCAKERBSA-N 1 0 207.277 1.803 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCOC1CCOCC1 ZINC000625457225 343859409 /nfs/dbraw/zinc/85/94/09/343859409.db2.gz JSRCQYPFLQVYCM-AAEUAGOBSA-N 1 0 243.347 1.027 10 0 BDAERO CC(C)NC1=[NH+]C2(CS1)CCOCC2 ZINC000230731637 347000332 /nfs/dbraw/zinc/00/03/32/347000332.db2.gz SOEPFQIAQMKSSR-UHFFFAOYSA-N 1 0 214.334 1.636 10 0 BDAERO CN1C(=O)[C@@H]([NH3+])C[C@@H]1c1cccc(F)c1 ZINC000409442605 343861235 /nfs/dbraw/zinc/86/12/35/343861235.db2.gz XXHXHWMTBRSUSL-VHSXEESVSA-N 1 0 208.236 1.056 10 0 BDAERO CN[C@@H](C[NH3+])c1cncc(Br)c1 ZINC000135129157 343940241 /nfs/dbraw/zinc/94/02/41/343940241.db2.gz WMMHEJGERUMIEK-QMMMGPOBSA-N 1 0 230.109 1.063 10 0 BDAERO CC1(C)CCN(C[C@H]2CSCC[NH2+]2)C1 ZINC000127173814 343918267 /nfs/dbraw/zinc/91/82/67/343918267.db2.gz HUQIZTNWHJADDD-JTQLQIEISA-N 1 0 214.378 1.423 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1cc(C#N)ncn1 ZINC000393789689 343929163 /nfs/dbraw/zinc/92/91/63/343929163.db2.gz VGCXMGKXQYPDBE-VIFPVBQESA-N 1 0 219.292 1.278 10 0 BDAERO C[C@@H]1C[C@@H]1C[NH2+]Cc1cnc2ccnn2c1 ZINC000309825523 343971403 /nfs/dbraw/zinc/97/14/03/343971403.db2.gz XHFONYIPCQJPJD-MWLCHTKSSA-N 1 0 216.288 1.475 10 0 BDAERO CC[NH2+]CCCNc1cncc(OCC)n1 ZINC000070580066 343953070 /nfs/dbraw/zinc/95/30/70/343953070.db2.gz PUEPLYZQBULGCT-UHFFFAOYSA-N 1 0 224.308 1.287 10 0 BDAERO CC1(C)[NH2+]C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000072416649 343953079 /nfs/dbraw/zinc/95/30/79/343953079.db2.gz YDNHAVCPDUSSTP-QWRGUYRKSA-N 1 0 244.294 1.174 10 0 BDAERO CCN([C@@H]1CCSC1)[C@H]1CC[NH2+]C1 ZINC000070897879 343957501 /nfs/dbraw/zinc/95/75/01/343957501.db2.gz MSWAWOKCLQEBBA-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO Brc1ccccc1NC1=[NH+]CCN1 ZINC000165686840 343963376 /nfs/dbraw/zinc/96/33/76/343963376.db2.gz XDLVMHJPEQGGTP-UHFFFAOYSA-N 1 0 240.104 1.820 10 0 BDAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)CC1(C)COC1 ZINC000625792280 344076115 /nfs/dbraw/zinc/07/61/15/344076115.db2.gz TXTVAZZLUDLLTA-NWDGAFQWSA-N 1 0 227.348 1.506 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](N2CCSCC2)C1 ZINC000401956747 344082906 /nfs/dbraw/zinc/08/29/06/344082906.db2.gz PBRGPUOWIPQJKO-VHSXEESVSA-N 1 0 200.351 1.033 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282349698 178632164 /nfs/dbraw/zinc/63/21/64/178632164.db2.gz MSPVVYFJQIIKRH-YPMHNXCESA-N 1 0 232.327 1.752 10 0 BDAERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000634741708 344163321 /nfs/dbraw/zinc/16/33/21/344163321.db2.gz MEOWUIOMFOHDKU-TZYSFKQOSA-N 1 0 248.370 1.491 10 0 BDAERO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CSCCN2)C1 ZINC000157925878 344120835 /nfs/dbraw/zinc/12/08/35/344120835.db2.gz DEKYFLDQVZWQRU-GMTAPVOTSA-N 1 0 214.378 1.422 10 0 BDAERO CCC(CC)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736783 344128612 /nfs/dbraw/zinc/12/86/12/344128612.db2.gz ZPHMYSUORUYKIG-GWCFXTLKSA-N 1 0 224.348 1.681 10 0 BDAERO CC[C@H]1CCN(C(=O)C2(C)CC2)C[C@@H]1[NH3+] ZINC000616571022 344177450 /nfs/dbraw/zinc/17/74/50/344177450.db2.gz OZGTVZVYWHZIQQ-UWVGGRQHSA-N 1 0 210.321 1.372 10 0 BDAERO C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC000634746802 344177747 /nfs/dbraw/zinc/17/77/47/344177747.db2.gz KXHCUPPHOCZWJF-JKOKRWQUSA-N 1 0 236.359 1.538 10 0 BDAERO CC[C@@H]1CCN(C(=O)C2(C)CC2)C[C@@H]1[NH3+] ZINC000616571025 344177874 /nfs/dbraw/zinc/17/78/74/344177874.db2.gz OZGTVZVYWHZIQQ-ZJUUUORDSA-N 1 0 210.321 1.372 10 0 BDAERO [NH3+]CC[C@H]1C(=O)Nc2c1c(F)ccc2F ZINC000135306057 344158541 /nfs/dbraw/zinc/15/85/41/344158541.db2.gz VNMFUBXMCOPCOU-RXMQYKEDSA-N 1 0 212.199 1.349 10 0 BDAERO C/C=C/C[NH2+]C[C@H](O)COCc1ccco1 ZINC000384888964 344208849 /nfs/dbraw/zinc/20/88/49/344208849.db2.gz SUPWCHZEYPWPLX-VUDBWIFFSA-N 1 0 225.288 1.323 10 0 BDAERO ONC1CC[NH+](Cc2ccccc2)CC1 ZINC000131956579 344211256 /nfs/dbraw/zinc/21/12/56/344211256.db2.gz CZOLOCAKMPJYKP-UHFFFAOYSA-N 1 0 206.289 1.630 10 0 BDAERO CC1(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCC1 ZINC000634757224 344220058 /nfs/dbraw/zinc/22/00/58/344220058.db2.gz NSGIJDOUZWMAIN-FZMZJTMJSA-N 1 0 236.359 1.683 10 0 BDAERO COCC(=O)Nc1ccc(C)c(C[NH3+])c1C ZINC000616573328 344186667 /nfs/dbraw/zinc/18/66/67/344186667.db2.gz RJMNCAMQMFLHLU-UHFFFAOYSA-N 1 0 222.288 1.347 10 0 BDAERO C[C@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000157869001 344205226 /nfs/dbraw/zinc/20/52/26/344205226.db2.gz UDXXNWDRSSZGOJ-NNYUYHANSA-N 1 0 224.348 1.631 10 0 BDAERO CC(C(=O)NCc1ccccc1)=C1C[NH2+]C1 ZINC000135440464 344275205 /nfs/dbraw/zinc/27/52/05/344275205.db2.gz OYTAOFAGDGCFMD-UHFFFAOYSA-N 1 0 216.284 1.223 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772352 344288890 /nfs/dbraw/zinc/28/88/90/344288890.db2.gz HUCXQKPPTZCDJT-OSMZGAPFSA-N 1 0 236.359 1.633 10 0 BDAERO CSC[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000400113264 344319681 /nfs/dbraw/zinc/31/96/81/344319681.db2.gz IBUHDKHCAQVSND-MNOVXSKESA-N 1 0 244.404 1.714 10 0 BDAERO CCOc1cc(N2C[C@@H]([NH3+])C[C@H]2C)nc(C)n1 ZINC000385158245 344355770 /nfs/dbraw/zinc/35/57/70/344355770.db2.gz ANPARSVENJIRMQ-SCZZXKLOSA-N 1 0 236.319 1.110 10 0 BDAERO [NH3+][C@@H](c1ccoc1Cl)c1cncnc1 ZINC000236335244 344356476 /nfs/dbraw/zinc/35/64/76/344356476.db2.gz UPXBHFCXQUUWHW-MRVPVSSYSA-N 1 0 209.636 1.771 10 0 BDAERO Cc1nc2ccccc2nc1N1C[C@@H]([NH3+])C[C@H]1C ZINC000385170613 344360463 /nfs/dbraw/zinc/36/04/63/344360463.db2.gz FQPYCPROQGPYBM-KOLCDFICSA-N 1 0 242.326 1.864 10 0 BDAERO COc1cc(C)c(OC)c2c1C[C@@H]([NH3+])CC2 ZINC000027764141 344303564 /nfs/dbraw/zinc/30/35/64/344303564.db2.gz CEHNNXHZTWZRJP-VIFPVBQESA-N 1 0 221.300 1.828 10 0 BDAERO CC(C)c1cn(-c2ccc(N)cn2)cn1 ZINC000145681832 344378740 /nfs/dbraw/zinc/37/87/40/344378740.db2.gz ZYQQTMFLCCVNEO-UHFFFAOYSA-N 1 0 202.261 1.973 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C(F)(F)F)nn1 ZINC000385259936 344384704 /nfs/dbraw/zinc/38/47/04/344384704.db2.gz PXOQHHRFOYOTIL-BQBZGAKWSA-N 1 0 246.236 1.421 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385282212 344387058 /nfs/dbraw/zinc/38/70/58/344387058.db2.gz VXRWFCDCBXZHCH-GHMZBOCLSA-N 1 0 234.347 1.834 10 0 BDAERO Cc1cocc1-c1cnn(CCC[NH3+])c1 ZINC000385326735 344394282 /nfs/dbraw/zinc/39/42/82/344394282.db2.gz JRABIPUFTGFXIV-UHFFFAOYSA-N 1 0 205.261 1.800 10 0 BDAERO CC[N@H+](C(C)C)[C@@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044128377 344398092 /nfs/dbraw/zinc/39/80/92/344398092.db2.gz OJCPFZWEKZLKOG-NEPJUHHUSA-N 1 0 243.347 1.373 10 0 BDAERO CC(C)(C)[NH2+]C[C@@H](O)COC(C1CC1)C1CC1 ZINC000028757630 344413459 /nfs/dbraw/zinc/41/34/59/344413459.db2.gz VEVOYGOKIZRJNA-GFCCVEGCSA-N 1 0 241.375 1.941 10 0 BDAERO CC(=O)[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616595612 344419155 /nfs/dbraw/zinc/41/91/55/344419155.db2.gz XAILRMVXCYDGLR-CQSZACIVSA-N 1 0 233.311 1.867 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000081981187 537846718 /nfs/dbraw/zinc/84/67/18/537846718.db2.gz BAAOWDDLWOIHLI-IUCAKERBSA-N 1 0 205.323 1.080 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616611217 344492869 /nfs/dbraw/zinc/49/28/69/344492869.db2.gz BMXYBHCMKXBAAL-OAHLLOKOSA-N 1 0 241.338 1.983 10 0 BDAERO COC[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)s1 ZINC000381302539 344493510 /nfs/dbraw/zinc/49/35/10/344493510.db2.gz GGYMYOKQDOYLEY-MRVPVSSYSA-N 1 0 243.328 1.659 10 0 BDAERO CO[C@@H]1CC[C@H](NC2=[NH+]CCS2)C1 ZINC000234944043 344494059 /nfs/dbraw/zinc/49/40/59/344494059.db2.gz TZKUIOIHKZFVRF-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO Cc1nn(C)c(C[C@@](C)(F)C[NH3+])c1Cl ZINC000158249918 344571883 /nfs/dbraw/zinc/57/18/83/344571883.db2.gz CULAISFUSIECTE-SECBINFHSA-N 1 0 219.691 1.611 10 0 BDAERO CO[C@@H]1CCC[N@H+](C[C@@H]2CCCC2=O)C1 ZINC000230342537 344526821 /nfs/dbraw/zinc/52/68/21/344526821.db2.gz ZNFHBFKKFWUSAY-WDEREUQCSA-N 1 0 211.305 1.466 10 0 BDAERO C[C@]1(O)CCC[N@@H+]([C@@H]2CCC(=O)C2)CC1 ZINC000230359652 344538044 /nfs/dbraw/zinc/53/80/44/344538044.db2.gz NQCIJBHWTMSJMX-PWSUYJOCSA-N 1 0 211.305 1.345 10 0 BDAERO CC[C@@H](C)[N@@H+]1CCC[C@@H](C(N)=S)C1 ZINC000227580175 344540024 /nfs/dbraw/zinc/54/00/24/344540024.db2.gz QZNAOLUJRKBLMB-RKDXNWHRSA-N 1 0 200.351 1.783 10 0 BDAERO CC[C@H](O)[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000044159915 344543956 /nfs/dbraw/zinc/54/39/56/344543956.db2.gz XSLXBDSGVFMBMS-UWVGGRQHSA-N 1 0 201.310 1.257 10 0 BDAERO C[C@H]1SCC[C@H]1[NH2+]CC1CCOCC1 ZINC000220670530 344567266 /nfs/dbraw/zinc/56/72/66/344567266.db2.gz NYTGOWFJVVNPSS-MWLCHTKSSA-N 1 0 215.362 1.897 10 0 BDAERO COc1cccc([C@@](C)(F)C[NH3+])c1F ZINC000158229636 344568096 /nfs/dbraw/zinc/56/80/96/344568096.db2.gz MVTDSRGROQZKJF-JTQLQIEISA-N 1 0 201.216 1.978 10 0 BDAERO Cc1ccc(F)cc1C1(O)CC[NH2+]CC1 ZINC000055193347 178683723 /nfs/dbraw/zinc/68/37/23/178683723.db2.gz WCRACQDJTBVBEK-UHFFFAOYSA-N 1 0 209.264 1.705 10 0 BDAERO [NH3+][C@@H]1CC[C@](F)(Cc2nccs2)C1 ZINC000158287538 344580757 /nfs/dbraw/zinc/58/07/57/344580757.db2.gz DUMPOESVWFCKNI-VXNVDRBHSA-N 1 0 200.282 1.905 10 0 BDAERO COc1cc(C[NH+](C)C)c([N+](=O)[O-])cc1N ZINC000396132939 344612076 /nfs/dbraw/zinc/61/20/76/344612076.db2.gz NEDHXBYTKQNGJS-UHFFFAOYSA-N 1 0 225.248 1.247 10 0 BDAERO CCC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000220986483 344654970 /nfs/dbraw/zinc/65/49/70/344654970.db2.gz ZPSNXLCMPUGMBN-IUCAKERBSA-N 1 0 201.335 1.791 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@@H](CCF)C2)C1 ZINC000626006386 344664871 /nfs/dbraw/zinc/66/48/71/344664871.db2.gz XIFAQASNVBZLNL-UPJWGTAASA-N 1 0 245.338 1.598 10 0 BDAERO CC(C)[C@@](F)(CN)[C@@H]1CCCCC[NH2+]1 ZINC000158388822 344640181 /nfs/dbraw/zinc/64/01/81/344640181.db2.gz IZYYHHIWWQWSKZ-QWRGUYRKSA-N 1 0 202.317 1.842 10 0 BDAERO O=C1CCCC[C@@H]1[N@H+]1CCCC[C@@H]1CO ZINC000050152122 344649315 /nfs/dbraw/zinc/64/93/15/344649315.db2.gz AXKBJYQZIPTIQS-MNOVXSKESA-N 1 0 211.305 1.345 10 0 BDAERO Cn1ccnc1C[C@H](O)C(F)(F)Cl ZINC000158715575 344730612 /nfs/dbraw/zinc/73/06/12/344730612.db2.gz DGECADBEOUNHSG-YFKPBYRVSA-N 1 0 210.611 1.155 10 0 BDAERO Cc1ccc(N)c(Cl)c1OCC[NH3+] ZINC000083343528 178703471 /nfs/dbraw/zinc/70/34/71/178703471.db2.gz PCFAIZRZGGFJEO-UHFFFAOYSA-N 1 0 200.669 1.568 10 0 BDAERO CS[C@H]1CC[C@@H](NC(=[NH2+])NC(C)C)C1 ZINC000235079253 344768795 /nfs/dbraw/zinc/76/87/95/344768795.db2.gz IFCQIFFKGLTODC-BDAKNGLRSA-N 1 0 215.366 1.793 10 0 BDAERO c1nc2c([nH]1)[C@]1(CC3CCC1CC3)[NH2+]CC2 ZINC000400414470 537856989 /nfs/dbraw/zinc/85/69/89/537856989.db2.gz UPCXRFPQLYBIGO-SRHKJQAYSA-N 1 0 217.316 1.961 10 0 BDAERO CN(C(=O)[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000153162587 344788656 /nfs/dbraw/zinc/78/86/56/344788656.db2.gz IVZCGGDGVYBTFS-MRVPVSSYSA-N 1 0 240.253 1.537 10 0 BDAERO CCc1nc(CC[NH2+]CC2(SC)CC2)no1 ZINC000309489337 347077514 /nfs/dbraw/zinc/07/75/14/347077514.db2.gz WNZYKYQBHJDWKB-UHFFFAOYSA-N 1 0 241.360 1.660 10 0 BDAERO C[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC000039091370 344805991 /nfs/dbraw/zinc/80/59/91/344805991.db2.gz VGFSVDUGQNCSSD-MRVPVSSYSA-N 1 0 202.298 1.639 10 0 BDAERO Fc1cccc(Cl)c1COC1C[NH2+]C1 ZINC000062809979 347082069 /nfs/dbraw/zinc/08/20/69/347082069.db2.gz PSOADRCCXCIVGA-UHFFFAOYSA-N 1 0 215.655 1.968 10 0 BDAERO C[C@@H]1CC[C@]2(CC(=O)O[C@H]2C[NH3+])C[C@@H]1C ZINC000675053361 537865245 /nfs/dbraw/zinc/86/52/45/537865245.db2.gz MZOHLKDUTCUDSY-FYLLDIAZSA-N 1 0 211.305 1.703 10 0 BDAERO O=C1CCc2ccccc2N1[C@H]1CC[NH2+]C1 ZINC000212747329 344822730 /nfs/dbraw/zinc/82/27/30/344822730.db2.gz IUFAVZZYHSSRON-NSHDSACASA-N 1 0 216.284 1.328 10 0 BDAERO CS[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000235240064 344853665 /nfs/dbraw/zinc/85/36/65/344853665.db2.gz DPMCXIPBFHNXNI-HTQZYQBOSA-N 1 0 216.350 1.124 10 0 BDAERO C[C@@H]1CC[C@]2(CC(=O)O[C@H]2C[NH3+])C[C@H]1C ZINC000675053363 537866276 /nfs/dbraw/zinc/86/62/76/537866276.db2.gz MZOHLKDUTCUDSY-MWGHHZFTSA-N 1 0 211.305 1.703 10 0 BDAERO CS[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](CO)C2)C1 ZINC000235259351 344859599 /nfs/dbraw/zinc/85/95/99/344859599.db2.gz BBVBAYNRGFEDHJ-GMTAPVOTSA-N 1 0 215.362 1.585 10 0 BDAERO CC[C@@H]1CCC(=O)[C@H]([C@@H]2COCC[NH2+]2)C1 ZINC000166435986 344896191 /nfs/dbraw/zinc/89/61/91/344896191.db2.gz SRXPIOJPBVWGAE-VWYCJHECSA-N 1 0 211.305 1.370 10 0 BDAERO C[C@@H]1[C@H](C)SCCN1C1(C[NH3+])CC1 ZINC000235375565 344897347 /nfs/dbraw/zinc/89/73/47/344897347.db2.gz NGRUAXCRKSMJOL-BDAKNGLRSA-N 1 0 200.351 1.304 10 0 BDAERO [NH3+]C[C@@]1(C[C@H]2CCCO2)CCCS1 ZINC000166488065 344907515 /nfs/dbraw/zinc/90/75/15/344907515.db2.gz ROPZFLKJOXJTMW-ZJUUUORDSA-N 1 0 201.335 1.780 10 0 BDAERO Cn1ccc(C[C@]2(C[NH3+])CCCS2)n1 ZINC000166519112 344918274 /nfs/dbraw/zinc/91/82/74/344918274.db2.gz WGHLPPNUNJHSGJ-JTQLQIEISA-N 1 0 211.334 1.187 10 0 BDAERO C[C@H]1CCN(c2nccs2)[C@@H](C[NH3+])C1 ZINC000235634705 344960914 /nfs/dbraw/zinc/96/09/14/344960914.db2.gz CLMFQCUELUGBHO-DTWKUNHWSA-N 1 0 211.334 1.707 10 0 BDAERO C[C@H]1CN(C)CC[N@@H+]1[C@@H]1CCCC(=O)C1 ZINC000235643538 344966389 /nfs/dbraw/zinc/96/63/89/344966389.db2.gz FUPVVKGPDAMDDB-WDEREUQCSA-N 1 0 210.321 1.134 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000061588926 344978793 /nfs/dbraw/zinc/97/87/93/344978793.db2.gz NUXWUUUKNVCCEB-NWDGAFQWSA-N 1 0 228.405 1.956 10 0 BDAERO CC(C)(C)OC(=O)N1CC(F)(F)[C@@H]2C[NH2+]C[C@H]21 ZINC000238172343 344981139 /nfs/dbraw/zinc/98/11/39/344981139.db2.gz PQXYSUUKESSQRK-HTQZYQBOSA-N 1 0 248.273 1.460 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(F)cc1Cl ZINC000044232917 344988559 /nfs/dbraw/zinc/98/85/59/344988559.db2.gz MYFORSILFWRWIU-SECBINFHSA-N 1 0 203.644 1.861 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(O)c(Br)c1 ZINC000044233832 344988968 /nfs/dbraw/zinc/98/89/68/344988968.db2.gz IFSGYFYSQORPFT-QMMMGPOBSA-N 1 0 246.104 1.537 10 0 BDAERO CCOc1cc([C@@H]([NH3+])CCO)ccc1OC ZINC000044233802 344989014 /nfs/dbraw/zinc/98/90/14/344989014.db2.gz OJRXGWPSOSXIDE-JTQLQIEISA-N 1 0 225.288 1.476 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(O)c2ccccc21 ZINC000044233894 344989223 /nfs/dbraw/zinc/98/92/23/344989223.db2.gz IOBFPSXJRLBXBD-GFCCVEGCSA-N 1 0 217.268 1.928 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc[nH]n1 ZINC000123453946 345000005 /nfs/dbraw/zinc/00/00/05/345000005.db2.gz RYRCDGCLGPQTRB-GFCCVEGCSA-N 1 0 222.336 1.326 10 0 BDAERO [NH3+][C@@H](Cn1cccn1)c1ccc2c(c1)OCO2 ZINC000011848831 345031470 /nfs/dbraw/zinc/03/14/70/345031470.db2.gz NEHJWCZHPOUERA-JTQLQIEISA-N 1 0 231.255 1.312 10 0 BDAERO N[C@H](C[NH3+])c1cscc1Br ZINC000044476951 345090654 /nfs/dbraw/zinc/09/06/54/345090654.db2.gz GEVZBYHRIOSVKZ-ZCFIWIBFSA-N 1 0 221.123 1.469 10 0 BDAERO COc1cc(C(F)(F)F)ccc1[C@@H](N)C[NH3+] ZINC000044473199 345090844 /nfs/dbraw/zinc/09/08/44/345090844.db2.gz DXIUYYWLUCNCBI-QMMMGPOBSA-N 1 0 234.221 1.673 10 0 BDAERO Cc1cc([C@@H](N)C[NH3+])sc1Br ZINC000044476980 345090953 /nfs/dbraw/zinc/09/09/53/345090953.db2.gz UHBZWSOKDDXDHO-YFKPBYRVSA-N 1 0 235.150 1.778 10 0 BDAERO CCOc1ccc(C[C@@H](C[NH3+])CO)cc1 ZINC000011978536 345096098 /nfs/dbraw/zinc/09/60/98/345096098.db2.gz FAKGSWWTXCYDOL-NSHDSACASA-N 1 0 209.289 1.195 10 0 BDAERO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000156104466 345125334 /nfs/dbraw/zinc/12/53/34/345125334.db2.gz RRGAMPRLZFOERA-GHMZBOCLSA-N 1 0 236.315 1.893 10 0 BDAERO C[N@H+](C[C@H]1CSCCN1)C1CCCC1 ZINC000127054530 345153310 /nfs/dbraw/zinc/15/33/10/345153310.db2.gz HMENKNTVQXTXEG-JTQLQIEISA-N 1 0 214.378 1.566 10 0 BDAERO Cc1ncsc1[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000225536119 345159882 /nfs/dbraw/zinc/15/98/82/345159882.db2.gz UKGMXTIKVQMHKZ-IUCAKERBSA-N 1 0 212.318 1.878 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]C2)o1 ZINC000037017744 178836785 /nfs/dbraw/zinc/83/67/85/178836785.db2.gz HWLHSSAVORYMMI-GHMZBOCLSA-N 1 0 236.315 1.765 10 0 BDAERO C[C@@H]1C[C@@H](CO)[N@H+](Cc2ccccc2)[C@@H]1CO ZINC000307218903 345239904 /nfs/dbraw/zinc/23/99/04/345239904.db2.gz VTWBLRRUWANBFE-KWCYVHTRSA-N 1 0 235.327 1.250 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[NH2+]2)c(C)c1 ZINC000335895493 178837535 /nfs/dbraw/zinc/83/75/35/178837535.db2.gz WEURJSRNJZSXKT-DGCLKSJQSA-N 1 0 232.327 1.843 10 0 BDAERO CCCC[NH2+]Cc1c(C)nn(C)c1N(C)C ZINC000381292014 345252358 /nfs/dbraw/zinc/25/23/58/345252358.db2.gz DNTHLMQZHIBDDK-UHFFFAOYSA-N 1 0 224.352 1.684 10 0 BDAERO CC[C@H]1CCN(CC(F)F)CCC[NH2+]1 ZINC000148038495 345193219 /nfs/dbraw/zinc/19/32/19/345193219.db2.gz ZKXMCQRUAUWEFV-VIFPVBQESA-N 1 0 206.280 1.716 10 0 BDAERO Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@]2(C)CO)[nH]1 ZINC000408470798 345324598 /nfs/dbraw/zinc/32/45/98/345324598.db2.gz XFEBPLCCKDYPQB-MKPLZMMCSA-N 1 0 238.335 1.315 10 0 BDAERO Cc1nc2c(n1CC(F)F)CC[NH2+]C2 ZINC000148112616 345257798 /nfs/dbraw/zinc/25/77/98/345257798.db2.gz XWCDJVXQZUMPQF-UHFFFAOYSA-N 1 0 201.220 1.102 10 0 BDAERO CS(=O)(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC000129616609 345259827 /nfs/dbraw/zinc/25/98/27/345259827.db2.gz MSUYKICUHJWWTL-JTQLQIEISA-N 1 0 219.350 1.329 10 0 BDAERO Cc1cccc([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000071518817 537895765 /nfs/dbraw/zinc/89/57/65/537895765.db2.gz WIVRHJAOSJVWGN-GFCCVEGCSA-N 1 0 213.284 1.953 10 0 BDAERO C[C@@H]1CCSC(N[C@@H]2CCN(C)C2)=[NH+]1 ZINC000133523947 345378522 /nfs/dbraw/zinc/37/85/22/345378522.db2.gz FTJQSJPZZGCTDX-RKDXNWHRSA-N 1 0 213.350 1.162 10 0 BDAERO C[C@H]1C[C@@H](NC2=[NH+]CCS2)CCO1 ZINC000235692477 345409258 /nfs/dbraw/zinc/40/92/58/345409258.db2.gz OKXAFKTZJYLSAJ-YUMQZZPRSA-N 1 0 200.307 1.246 10 0 BDAERO O=C(NCc1ccccc1)[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 ZINC000228961695 345422822 /nfs/dbraw/zinc/42/28/22/345422822.db2.gz CDXWUEFAGCUZJL-MELADBBJSA-N 1 0 244.338 1.691 10 0 BDAERO CCC1CCN([C@@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000043913317 168530152 /nfs/dbraw/zinc/53/01/52/168530152.db2.gz KODWOWDUWLIQFF-QWHCGFSZSA-N 1 0 226.364 1.485 10 0 BDAERO [NH3+][C@H](CCO)c1occc1Br ZINC000229299151 345485110 /nfs/dbraw/zinc/48/51/10/345485110.db2.gz ODMCBSDRZWODLF-ZCFIWIBFSA-N 1 0 220.066 1.424 10 0 BDAERO COc1ccc([C@H](O)[C@H]([NH3+])CC(C)C)cc1O ZINC000054929486 345566199 /nfs/dbraw/zinc/56/61/99/345566199.db2.gz DISDJOSYXLKKEY-MFKMUULPSA-N 1 0 239.315 1.808 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)C[C@@H](C)[NH3+])o1 ZINC000037476534 178885639 /nfs/dbraw/zinc/88/56/39/178885639.db2.gz GBMLKOKUYINBKT-APPZFPTMSA-N 1 0 210.277 1.503 10 0 BDAERO Cc1ccc([C@H]([NH3+])CCC(N)=O)cc1C ZINC000037483912 178906145 /nfs/dbraw/zinc/90/61/45/178906145.db2.gz VOBXWEPFGMFAOZ-LLVKDONJSA-N 1 0 206.289 1.569 10 0 BDAERO CCCc1nsc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000213617104 345741226 /nfs/dbraw/zinc/74/12/26/345741226.db2.gz ZUFKLFDEXUVYTC-BDAKNGLRSA-N 1 0 238.360 1.289 10 0 BDAERO CC(C)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000222834988 345748195 /nfs/dbraw/zinc/74/81/95/345748195.db2.gz XMPZSPSVBBZTPL-CYBMUJFWSA-N 1 0 232.327 1.786 10 0 BDAERO CC(C)c1nccc(N2CCC[C@@H]2C[NH3+])n1 ZINC000212411477 345733256 /nfs/dbraw/zinc/73/32/56/345733256.db2.gz LUPKKMGAZBQMFL-SNVBAGLBSA-N 1 0 220.320 1.528 10 0 BDAERO CC(C)c1nccc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000212403612 345733465 /nfs/dbraw/zinc/73/34/65/345733465.db2.gz VDXHGCQEYZRMBH-SNVBAGLBSA-N 1 0 220.320 1.398 10 0 BDAERO C[C@H]([NH3+])Cn1ncc2c1-c1cc(O)ccc1CC2 ZINC000034268825 345820196 /nfs/dbraw/zinc/82/01/96/345820196.db2.gz ZNRPGLPPNZYIRU-VIFPVBQESA-N 1 0 243.310 1.702 10 0 BDAERO C[C@@H]([NH3+])Cn1ncc2c1-c1cc(O)ccc1CC2 ZINC000034268826 345820430 /nfs/dbraw/zinc/82/04/30/345820430.db2.gz ZNRPGLPPNZYIRU-SECBINFHSA-N 1 0 243.310 1.702 10 0 BDAERO CC(C)OCc1[nH+]c(NN)ccc1Cl ZINC000061639952 345786151 /nfs/dbraw/zinc/78/61/51/345786151.db2.gz WUPYMIDFHSYRHO-UHFFFAOYSA-N 1 0 215.684 1.946 10 0 BDAERO CC[C@H](C)Nc1cc(N2CC[NH2+]CC2)ncn1 ZINC000258904100 345787128 /nfs/dbraw/zinc/78/71/28/345787128.db2.gz GSUBJWREUDDHGW-JTQLQIEISA-N 1 0 235.335 1.097 10 0 BDAERO COC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000166773172 345787265 /nfs/dbraw/zinc/78/72/65/345787265.db2.gz AAUAGDAATQAZCK-RCWTZXSCSA-N 1 0 213.321 1.914 10 0 BDAERO CC(C)[C@H](CO)N(C)CC(=O)OC(C)(C)C ZINC000167775095 345798956 /nfs/dbraw/zinc/79/89/56/345798956.db2.gz AXGAGXCIVGWBSH-JTQLQIEISA-N 1 0 231.336 1.277 10 0 BDAERO COc1cc2c(cc1OC)C[N+](=O)CC2 ZINC000034612210 345837850 /nfs/dbraw/zinc/83/78/50/345837850.db2.gz BXRVPMNYWUGNRA-UHFFFAOYSA-N 1 0 207.229 1.189 10 0 BDAERO CCc1cnc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000300404598 345838919 /nfs/dbraw/zinc/83/89/19/345838919.db2.gz HVPRDAHDJQNHAO-NEPJUHHUSA-N 1 0 249.358 1.906 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](COCc2ccccc2)CO1 ZINC000143594241 345866064 /nfs/dbraw/zinc/86/60/64/345866064.db2.gz UBILNVRZPUVBHN-KBPBESRZSA-N 1 0 235.327 1.957 10 0 BDAERO Cc1nc(Br)ccc1NC(=O)C[NH3+] ZINC000235794644 345904982 /nfs/dbraw/zinc/90/49/82/345904982.db2.gz SXILORQGGVQBJA-UHFFFAOYSA-N 1 0 244.092 1.050 10 0 BDAERO CSCC[C@@H]([NH3+])c1nc2cccnc2n1C ZINC000082583417 345910479 /nfs/dbraw/zinc/91/04/79/345910479.db2.gz MMEAYEMXOCOLHT-MRVPVSSYSA-N 1 0 236.344 1.721 10 0 BDAERO C[C@@H]1CC[NH2+][C@H]([C@H]2COC(C)(C)C2=O)C1 ZINC000307550334 537922789 /nfs/dbraw/zinc/92/27/89/537922789.db2.gz QYROAZKVYQGLDJ-BBBLOLIVSA-N 1 0 211.305 1.369 10 0 BDAERO Cc1cc(-c2ccccn2)nn1CC[NH3+] ZINC000083984878 345921316 /nfs/dbraw/zinc/92/13/16/345921316.db2.gz ZDFODPBQUYMYGW-UHFFFAOYSA-N 1 0 202.261 1.212 10 0 BDAERO CNc1cc(CCN2CC[NH2+]CC2)ccc1C#N ZINC000144521990 345921918 /nfs/dbraw/zinc/92/19/18/345921918.db2.gz NBFUEAKPOVIYPN-UHFFFAOYSA-N 1 0 244.342 1.048 10 0 BDAERO C[C@@H]1CN(CC(F)(F)CN)[C@@H](C)[C@H]1C ZINC000307499339 537923909 /nfs/dbraw/zinc/92/39/09/537923909.db2.gz LIHDAWTXLCFNEI-VGMNWLOBSA-N 1 0 206.280 1.557 10 0 BDAERO Cc1cc(Cl)ccc1[C@@H]([NH3+])CC(N)=O ZINC000235838256 345945023 /nfs/dbraw/zinc/94/50/23/345945023.db2.gz NLZYVWXPJPVVRC-VIFPVBQESA-N 1 0 212.680 1.524 10 0 BDAERO C[C@@H](C(N)=S)[NH+]1CCC(C)(C)CC1 ZINC000061820073 345953084 /nfs/dbraw/zinc/95/30/84/345953084.db2.gz UDCIAQCKDPQTTB-QMMMGPOBSA-N 1 0 200.351 1.783 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@H](CS)C2)C1 ZINC000095088890 346024572 /nfs/dbraw/zinc/02/45/72/346024572.db2.gz VLJYMRXGXDSNOY-NHCYSSNCSA-N 1 0 242.388 1.282 10 0 BDAERO CCc1nc(CC[NH2+][C@@H]2C[C@@H](C)[C@H]2C)no1 ZINC000381490334 346040649 /nfs/dbraw/zinc/04/06/49/346040649.db2.gz XHBSNFDVYUIQKC-OPRDCNLKSA-N 1 0 223.320 1.809 10 0 BDAERO CC[NH+]1CCC(C[C@@H]2CO2)(C(=O)OC)CC1 ZINC000669371911 537948464 /nfs/dbraw/zinc/94/84/64/537948464.db2.gz FDPTWOUUEDFLMM-SNVBAGLBSA-N 1 0 227.304 1.050 10 0 BDAERO Cc1ccc(-c2cncnc2)c(C[NH3+])n1 ZINC000669372711 537950333 /nfs/dbraw/zinc/95/03/33/537950333.db2.gz XKFCCXYLGKSQGJ-UHFFFAOYSA-N 1 0 200.245 1.306 10 0 BDAERO C[NH+]1CCC(n2cnc(Br)c2)CC1 ZINC000669374667 537952044 /nfs/dbraw/zinc/95/20/44/537952044.db2.gz MNRZGTFYYYEBLA-UHFFFAOYSA-N 1 0 244.136 1.912 10 0 BDAERO [NH3+]CCN(Cc1ncon1)Cc1ccccc1 ZINC000236189080 346204374 /nfs/dbraw/zinc/20/43/74/346204374.db2.gz NVCPGXPRZYXRRL-UHFFFAOYSA-N 1 0 232.287 1.031 10 0 BDAERO Cc1cc(N[C@@H](CC[NH3+])C(F)F)ncn1 ZINC000394773159 323108665 /nfs/dbraw/zinc/10/86/65/323108665.db2.gz GKFUOHYVTQOGRG-ZETCQYMHSA-N 1 0 216.235 1.179 10 0 BDAERO Cl/C=C/C[NH2+][C@@H]1CN2CCC1CC2 ZINC000236015151 346183242 /nfs/dbraw/zinc/18/32/42/346183242.db2.gz JJTBVMIGWGSAPT-YEQXMLPJSA-N 1 0 200.713 1.423 10 0 BDAERO [NH3+][C@H](c1ccoc1Cl)c1cncnc1 ZINC000236291574 346222877 /nfs/dbraw/zinc/22/28/77/346222877.db2.gz UPXBHFCXQUUWHW-QMMMGPOBSA-N 1 0 209.636 1.771 10 0 BDAERO Nc1nccnc1S[C@@H]1CCC[C@H]1[NH3+] ZINC000236303245 346225112 /nfs/dbraw/zinc/22/51/12/346225112.db2.gz IYLCTWRWZGDNIL-RNFRBKRXSA-N 1 0 210.306 1.031 10 0 BDAERO CC[C@@H](O)c1ccc(F)c(N2CC[NH2+]CC2)c1 ZINC000167343945 346237991 /nfs/dbraw/zinc/23/79/91/346237991.db2.gz IRCJSLGQPMBMGY-CYBMUJFWSA-N 1 0 238.306 1.679 10 0 BDAERO CCC[C@@H]1C[NH2+]C[C@H]1C(=O)OC(C)(C)C ZINC000724712793 537961625 /nfs/dbraw/zinc/96/16/25/537961625.db2.gz HBSNYEBVXFDPEP-NXEZZACHSA-N 1 0 213.321 1.964 10 0 BDAERO O=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000034327615 346245820 /nfs/dbraw/zinc/24/58/20/346245820.db2.gz CXEJLCGIRISACP-UHFFFAOYSA-N 1 0 218.300 1.397 10 0 BDAERO CC[C@@H](C[NH3+])[C@@]1(O)CCCC2(C1)OCCO2 ZINC000669377885 537967021 /nfs/dbraw/zinc/96/70/21/537967021.db2.gz IRYITQFRIBVERP-WDEREUQCSA-N 1 0 229.320 1.020 10 0 BDAERO CC1(C)C[C@@H](O)CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000395311010 537965883 /nfs/dbraw/zinc/96/58/83/537965883.db2.gz GXDFYPZWKHGNCY-QJPTWQEYSA-N 1 0 227.348 1.383 10 0 BDAERO Cc1cccc(C(C)(C)C)c1OC[C@@H](O)C[NH3+] ZINC000008028961 179027576 /nfs/dbraw/zinc/02/75/76/179027576.db2.gz MTBLBBRBCQFFMP-NSHDSACASA-N 1 0 237.343 1.991 10 0 BDAERO CC(C)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000167626377 346291968 /nfs/dbraw/zinc/29/19/68/346291968.db2.gz XXLZELTUTPMABS-GFCCVEGCSA-N 1 0 203.285 1.926 10 0 BDAERO CC(C)[NH2+][C@@H]1CCNC(=O)c2ccccc21 ZINC000669378356 537969542 /nfs/dbraw/zinc/96/95/42/537969542.db2.gz BAKDFJGZJRJKDC-GFCCVEGCSA-N 1 0 218.300 1.859 10 0 BDAERO CC(C)C(=O)NCC[C@@](C)([NH3+])C(F)F ZINC000669378624 537969642 /nfs/dbraw/zinc/96/96/42/537969642.db2.gz JVIJBSNZRLLHCR-SECBINFHSA-N 1 0 208.252 1.131 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000052761840 346373303 /nfs/dbraw/zinc/37/33/03/346373303.db2.gz RRGDAKMHDNPNSE-NEPJUHHUSA-N 1 0 213.321 1.402 10 0 BDAERO OCCc1ccccc1[C@H]1CC[N@@H+](CCO)C1 ZINC000616613520 349955432 /nfs/dbraw/zinc/95/54/32/349955432.db2.gz LCXGOTILQJERGI-ZDUSSCGKSA-N 1 0 235.327 1.003 10 0 BDAERO CC(C)CC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241417 537978729 /nfs/dbraw/zinc/97/87/29/537978729.db2.gz FFQHCEYUVCSUNI-UHFFFAOYSA-N 1 0 210.321 1.387 10 0 BDAERO CC(C)NC(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669379247 537977203 /nfs/dbraw/zinc/97/72/03/537977203.db2.gz ARTTWXLCUPGNED-SECBINFHSA-N 1 0 223.267 1.067 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ncccc2OC)C1 ZINC000160282714 346446023 /nfs/dbraw/zinc/44/60/23/346446023.db2.gz WMNHEOHPEKJSOK-JTQLQIEISA-N 1 0 221.304 1.136 10 0 BDAERO Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000048266309 179086396 /nfs/dbraw/zinc/08/63/96/179086396.db2.gz XZHNDJWXZFZZHO-TZMCWYRMSA-N 1 0 246.354 1.999 10 0 BDAERO CCC(CC)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000381617015 346441995 /nfs/dbraw/zinc/44/19/95/346441995.db2.gz VZGVSNQAFMARHQ-NWDGAFQWSA-N 1 0 212.337 1.095 10 0 BDAERO CCCN(C)Cc1nc(CO)cs1 ZINC000669379443 537979093 /nfs/dbraw/zinc/97/90/93/537979093.db2.gz BQDIAJBUOHFAQW-UHFFFAOYSA-N 1 0 200.307 1.477 10 0 BDAERO C[NH+](C)CCN[C@@H]1COc2ccccc21 ZINC000070068959 349965814 /nfs/dbraw/zinc/96/58/14/349965814.db2.gz CEOQCSQXOMTFQN-LLVKDONJSA-N 1 0 206.289 1.271 10 0 BDAERO C[C@@H]1CCC[C@H](C)N1NC1=[NH+]CCS1 ZINC000148830502 346464538 /nfs/dbraw/zinc/46/45/38/346464538.db2.gz YBXJUBSJZYUUMA-DTORHVGOSA-N 1 0 213.350 1.857 10 0 BDAERO Cc1cccc(C[NH2+]CCN(C)C)c1C ZINC000048241740 179092756 /nfs/dbraw/zinc/09/27/56/179092756.db2.gz SCPICJRSQBJYNX-UHFFFAOYSA-N 1 0 206.333 1.955 10 0 BDAERO CC1(C)C[N@@H+]([C@H]2CCCC[C@@H]2O)CCCO1 ZINC000309547024 347097865 /nfs/dbraw/zinc/09/78/65/347097865.db2.gz HCZDZZBLIZJJIL-RYUDHWBXSA-N 1 0 227.348 1.791 10 0 BDAERO Cc1cccc(C[C@@]2(C[NH3+])CCOC2)c1 ZINC000054637631 179104317 /nfs/dbraw/zinc/10/43/17/179104317.db2.gz CRRHZZKCYPEETG-CYBMUJFWSA-N 1 0 205.301 1.903 10 0 BDAERO Cc1cccc(C[C@H]([NH3+])c2cnn(C)c2)c1 ZINC000043561124 179105784 /nfs/dbraw/zinc/10/57/84/179105784.db2.gz YJMGVURHRAPNSX-ZDUSSCGKSA-N 1 0 215.300 1.971 10 0 BDAERO CC(C)C(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669379919 537981848 /nfs/dbraw/zinc/98/18/48/537981848.db2.gz INVPJBSSXUHSCJ-VIFPVBQESA-N 1 0 208.252 1.131 10 0 BDAERO Cc1cccc(N(CCC[NH3+])c2nnnn2C)c1 ZINC000062938733 179119075 /nfs/dbraw/zinc/11/90/75/179119075.db2.gz CJWJEAXBQSALIC-UHFFFAOYSA-N 1 0 246.318 1.005 10 0 BDAERO N#Cc1ccc(N[C@H](C[NH3+])C2CCCCC2)nn1 ZINC000396907665 349974999 /nfs/dbraw/zinc/97/49/99/349974999.db2.gz GFMHBKDRZVZAKS-GFCCVEGCSA-N 1 0 245.330 1.090 10 0 BDAERO Cc1cccc(Cn2cccc2C[NH3+])n1 ZINC000082639011 179109444 /nfs/dbraw/zinc/10/94/44/179109444.db2.gz JEIXXACBGIFNFA-UHFFFAOYSA-N 1 0 201.273 1.699 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000164727683 346621017 /nfs/dbraw/zinc/62/10/17/346621017.db2.gz UBUPIFJGBQLRKO-DTWKUNHWSA-N 1 0 200.282 1.262 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCCO1 ZINC000164160509 346593451 /nfs/dbraw/zinc/59/34/51/346593451.db2.gz VYOCASNNPMXWJP-SCZZXKLOSA-N 1 0 212.318 1.774 10 0 BDAERO Cc1ccsc1[C@H](C[NH3+])N1CCCO1 ZINC000164175894 346594008 /nfs/dbraw/zinc/59/40/08/346594008.db2.gz YJFALRQFKJFIFN-VIFPVBQESA-N 1 0 212.318 1.694 10 0 BDAERO c1csc(-c2cn(C3C[NH2+]C3)nn2)c1 ZINC000164568488 346610513 /nfs/dbraw/zinc/61/05/13/346610513.db2.gz YTQKYCSOEFZHCE-UHFFFAOYSA-N 1 0 206.274 1.151 10 0 BDAERO Cc1cccc(N)c1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037645574 179119641 /nfs/dbraw/zinc/11/96/41/179119641.db2.gz DDXZZUNRYOGOEG-NSHDSACASA-N 1 0 247.342 1.259 10 0 BDAERO Cc1nccn1CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000580641003 365838877 /nfs/dbraw/zinc/83/88/77/365838877.db2.gz JVIRANKSLXWAJT-GFCCVEGCSA-N 1 0 239.363 1.578 10 0 BDAERO Cc1cccc(NC(=O)C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000052287835 179128837 /nfs/dbraw/zinc/12/88/37/179128837.db2.gz WSTPDZIWXJRAQD-ZYHUDNBSSA-N 1 0 218.300 1.932 10 0 BDAERO Cc1cccc(NC(=O)Cn2cc(C[NH3+])cn2)c1 ZINC000063169626 179131200 /nfs/dbraw/zinc/13/12/00/179131200.db2.gz UCHQWLNEGULWPA-UHFFFAOYSA-N 1 0 244.298 1.289 10 0 BDAERO [NH3+][C@@H](Cc1cncs1)[C@H]1CCSC1 ZINC000164948896 346634302 /nfs/dbraw/zinc/63/43/02/346634302.db2.gz IWSQEPDUSORLPR-CBAPKCEASA-N 1 0 214.359 1.766 10 0 BDAERO Cc1cccc(NCCN2CC[NH+](C)CC2)c1 ZINC000041261888 179145267 /nfs/dbraw/zinc/14/52/67/179145267.db2.gz XUMKDADXLPDJET-UHFFFAOYSA-N 1 0 233.359 1.654 10 0 BDAERO CC(=O)N1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000221620963 346695264 /nfs/dbraw/zinc/69/52/64/346695264.db2.gz LOWDNTWQJJDMKY-LBPRGKRZSA-N 1 0 222.263 1.319 10 0 BDAERO Cc1cccc(NC[C@H]2CC[N@H+](CCO)C2)n1 ZINC000177698679 179148082 /nfs/dbraw/zinc/14/80/82/179148082.db2.gz LFPDTZUMWDVTDT-GFCCVEGCSA-N 1 0 235.331 1.116 10 0 BDAERO CC[C@]1(C(C)C)[NH2+]CCc2ncn(C)c21 ZINC000725242743 537985609 /nfs/dbraw/zinc/98/56/09/537985609.db2.gz OUKXZQKHCNZVPZ-GFCCVEGCSA-N 1 0 207.321 1.827 10 0 BDAERO COC[C@H](C)NC1=[NH+]CC(C)(C)CS1 ZINC000168723442 346741831 /nfs/dbraw/zinc/74/18/31/346741831.db2.gz BRFJRDPTNQXMJQ-QMMMGPOBSA-N 1 0 216.350 1.740 10 0 BDAERO Cc1cccc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000335656009 179157992 /nfs/dbraw/zinc/15/79/92/179157992.db2.gz HERPVCVMWQWZPU-ONGXEEELSA-N 1 0 205.305 1.800 10 0 BDAERO NC[C@H]([NH3+])C[C@H]1CCc2ccccc2C1 ZINC000169191936 346755277 /nfs/dbraw/zinc/75/52/77/346755277.db2.gz OVTZQVVSWMGEDH-GXFFZTMASA-N 1 0 204.317 1.468 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2CC(O)C2)[C@H]2CCCO[C@H]21 ZINC000228098902 346790776 /nfs/dbraw/zinc/79/07/76/346790776.db2.gz GSQTYEKJNDZADP-RKJHCZSYSA-N 1 0 239.359 1.551 10 0 BDAERO CN1N=C2CC[NH2+]C[C@@]2(Cc2ccccc2)C1=O ZINC000034586995 347119085 /nfs/dbraw/zinc/11/90/85/347119085.db2.gz SRIVSGVZUKSXSC-CQSZACIVSA-N 1 0 243.310 1.037 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1cnccn1 ZINC000184595586 347168758 /nfs/dbraw/zinc/16/87/58/347168758.db2.gz BJBJTCHUYAGPKQ-QWHCGFSZSA-N 1 0 248.374 1.954 10 0 BDAERO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000052286979 179172398 /nfs/dbraw/zinc/17/23/98/179172398.db2.gz LYOZJUIDKFKJLE-OUCADQQQSA-N 1 0 235.327 1.733 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000669380261 537986868 /nfs/dbraw/zinc/98/68/68/537986868.db2.gz JNRDOQUDFNTRQY-RNFRBKRXSA-N 1 0 241.257 1.220 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N(C)CC(=O)N(C)C)c1 ZINC000042966111 179185350 /nfs/dbraw/zinc/18/53/50/179185350.db2.gz LZTTZMBOIWIRHB-CYBMUJFWSA-N 1 0 249.358 1.015 10 0 BDAERO CCC[C@H](C(=O)OCC)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325450 347206691 /nfs/dbraw/zinc/20/66/91/347206691.db2.gz CLKPHZVEAHUHLY-QJPTWQEYSA-N 1 0 242.363 1.245 10 0 BDAERO CCCCCOC(=O)C[n+]1ccn(C)c1 ZINC000059110327 347227491 /nfs/dbraw/zinc/22/74/91/347227491.db2.gz KWQVWBZVDXLJMM-UHFFFAOYSA-N 1 0 211.285 1.046 10 0 BDAERO Cc1cccc([C@@H]2OCCc3cccc[n+]32)n1 ZINC000053626663 179191735 /nfs/dbraw/zinc/19/17/35/179191735.db2.gz CCTGZWQVZAHXQE-AWEZNQCLSA-N 1 0 226.279 1.807 10 0 BDAERO Cc1cccc([C@@](C)([NH3+])c2cnn(C)c2)c1 ZINC000043461970 179192170 /nfs/dbraw/zinc/19/21/70/179192170.db2.gz QGIDFDJIGIYFFM-CYBMUJFWSA-N 1 0 215.300 1.951 10 0 BDAERO Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[NH2+]CC2)c1 ZINC000037959080 179192984 /nfs/dbraw/zinc/19/29/84/179192984.db2.gz RBCNBOVDBDQJLP-CYBMUJFWSA-N 1 0 248.326 1.416 10 0 BDAERO CN1CCC[C@H]([N@H+](C)[C@H]2CCCC2=O)C1 ZINC000250630372 362813628 /nfs/dbraw/zinc/81/36/28/362813628.db2.gz QZNLOTVCKPBEBK-QWRGUYRKSA-N 1 0 210.321 1.134 10 0 BDAERO Cc1cccc2c1nc1n(c2=O)CCC[C@H]1[NH3+] ZINC000072266471 179208641 /nfs/dbraw/zinc/20/86/41/179208641.db2.gz QNGLPPUCAYQVDV-SNVBAGLBSA-N 1 0 229.283 1.499 10 0 BDAERO CN1CCC[C@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000250626538 362813500 /nfs/dbraw/zinc/81/35/00/362813500.db2.gz QFSYORYIVHJZSG-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO CO[C@@H]([C@H](C)[NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000388260899 347273255 /nfs/dbraw/zinc/27/32/55/347273255.db2.gz AGZWPWIJXLKEEB-DRZSPHRISA-N 1 0 226.364 1.532 10 0 BDAERO CN(c1nccs1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250662164 362815595 /nfs/dbraw/zinc/81/55/95/362815595.db2.gz YYMNZJALQSPBSA-DTWKUNHWSA-N 1 0 211.334 1.707 10 0 BDAERO C[NH2+]C[C@@H]1CCCN([C@H]2CCCC2=O)C1 ZINC000250769115 362819656 /nfs/dbraw/zinc/81/96/56/362819656.db2.gz UGRQPHDEBWEZCF-QWRGUYRKSA-N 1 0 210.321 1.039 10 0 BDAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191661256 347357447 /nfs/dbraw/zinc/35/74/47/347357447.db2.gz DIAKSWWVOXJOEI-OLZOCXBDSA-N 1 0 238.375 1.977 10 0 BDAERO Cc1cccc2c1cnn2CC1=[NH+]CCN1 ZINC000073258664 179225629 /nfs/dbraw/zinc/22/56/29/179225629.db2.gz YLQJBMBHXWXQBY-UHFFFAOYSA-N 1 0 214.272 1.346 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCSC1 ZINC000193245290 347393082 /nfs/dbraw/zinc/39/30/82/347393082.db2.gz UORPZZLWEDGUJO-NEPJUHHUSA-N 1 0 247.404 1.601 10 0 BDAERO Cn1cnc2c1[C@](C)(C1CCC1)[NH2+]CC2 ZINC000725242841 537989895 /nfs/dbraw/zinc/98/98/95/537989895.db2.gz YBCTZMYHXRVVSV-LBPRGKRZSA-N 1 0 205.305 1.581 10 0 BDAERO CC(C)[NH+]1CCC([S@@](C)(=N)=O)CC1 ZINC000616568054 347441049 /nfs/dbraw/zinc/44/10/49/347441049.db2.gz AUIHXQBBMMIGJI-ZDUSSCGKSA-N 1 0 204.339 1.536 10 0 BDAERO Brc1cnc([C@@H]2CC[NH2+]2)nc1 ZINC000205437432 347445428 /nfs/dbraw/zinc/44/54/28/347445428.db2.gz NRKFCUIALNREKM-LURJTMIESA-N 1 0 214.066 1.274 10 0 BDAERO Cc1ccccc1C(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000037540948 179245728 /nfs/dbraw/zinc/24/57/28/179245728.db2.gz UUPIATANLRUIPY-GFCCVEGCSA-N 1 0 232.327 1.819 10 0 BDAERO Cc1ccccc1C(=O)N(CCC[NH3+])C1CC1 ZINC000036731441 179245884 /nfs/dbraw/zinc/24/58/84/179245884.db2.gz PBMHKJDOFHWMJW-UHFFFAOYSA-N 1 0 232.327 1.948 10 0 BDAERO CC1=CC[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000390646351 259396284 /nfs/dbraw/zinc/39/62/84/259396284.db2.gz ODHWAXYCVIUZJS-WOPDTQHZSA-N 1 0 222.332 1.742 10 0 BDAERO Cc1nccn1[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569129 347575536 /nfs/dbraw/zinc/57/55/36/347575536.db2.gz ICFSJXACYJPGPQ-LURJTMIESA-N 1 0 243.179 1.889 10 0 BDAERO Cc1ccccc1CCC(=O)N[C@H]1C[C@@H]1[NH3+] ZINC000051986033 179261200 /nfs/dbraw/zinc/26/12/00/179261200.db2.gz BKFVCVVSCPXHQO-RYUDHWBXSA-N 1 0 218.300 1.143 10 0 BDAERO CCC[C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC ZINC000616569228 347592228 /nfs/dbraw/zinc/59/22/28/347592228.db2.gz GZNMLXUYCCHBMR-SDDRHHMPSA-N 1 0 226.364 1.927 10 0 BDAERO Cc1ccccc1CN(CC[NH3+])C[C@@H]1CCCO1 ZINC000032103941 179271463 /nfs/dbraw/zinc/27/14/63/179271463.db2.gz GPANQMPQLINUGV-HNNXBMFYSA-N 1 0 248.370 1.935 10 0 BDAERO Cc1ccccc1CN1C[C@@H](C[NH3+])CC1=O ZINC000019669302 179275659 /nfs/dbraw/zinc/27/56/59/179275659.db2.gz UTHQMIYCLSZKAF-LLVKDONJSA-N 1 0 218.300 1.302 10 0 BDAERO Cc1ccccc1CN1CC[C@@H]([NH3+])C1=O ZINC000049648852 179276110 /nfs/dbraw/zinc/27/61/10/179276110.db2.gz POELNELUODEVGI-LLVKDONJSA-N 1 0 204.273 1.055 10 0 BDAERO Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000048265956 179279813 /nfs/dbraw/zinc/27/98/13/179279813.db2.gz NIVBYKWIVCODQO-TZMCWYRMSA-N 1 0 246.354 1.999 10 0 BDAERO CCCc1cc2nc([C@H]3CCC[NH2+]3)nn2c(O)c1 ZINC000725243131 537992490 /nfs/dbraw/zinc/99/24/90/537992490.db2.gz LULFDKUTGFYMHS-SNVBAGLBSA-N 1 0 246.314 1.812 10 0 BDAERO Cc1ccccc1N(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062116721 179294718 /nfs/dbraw/zinc/29/47/18/179294718.db2.gz HHHSBNJTTCICGV-NSHDSACASA-N 1 0 218.300 1.567 10 0 BDAERO Cc1ccccc1C[C@@H]1COCC[C@@H]1[NH3+] ZINC000082379474 179290170 /nfs/dbraw/zinc/29/01/70/179290170.db2.gz PWIJBOWJQASTBJ-OLZOCXBDSA-N 1 0 205.301 1.901 10 0 BDAERO Cc1ccccc1C[C@@H]1C[NH2+]CC[C@@H]1O ZINC000071509465 179290254 /nfs/dbraw/zinc/29/02/54/179290254.db2.gz IUVKRKGTVVVPHD-OLZOCXBDSA-N 1 0 205.301 1.508 10 0 BDAERO Cc1ccccc1C[C@H]([NH3+])[C@@H]1CCOC1 ZINC000048627590 179291652 /nfs/dbraw/zinc/29/16/52/179291652.db2.gz YVGSBRMASIAFBA-OLZOCXBDSA-N 1 0 205.301 1.901 10 0 BDAERO CC(C)(C)c1cn(CC2CC([NH3+])C2)nn1 ZINC000616569819 347845912 /nfs/dbraw/zinc/84/59/12/347845912.db2.gz NQIIWBGMNXNLAQ-UHFFFAOYSA-N 1 0 208.309 1.313 10 0 BDAERO Cc1ccccc1NC(=O)CN(C)C[C@@H](C)C[NH3+] ZINC000042455920 179299465 /nfs/dbraw/zinc/29/94/65/179299465.db2.gz UPFWSWGJFXJWGB-NSHDSACASA-N 1 0 249.358 1.460 10 0 BDAERO Cc1ccccc1S(=O)(=O)C[C@H]1CC[NH2+]C1 ZINC000083296149 179313865 /nfs/dbraw/zinc/31/38/65/179313865.db2.gz HVLJFLDJTMTBPO-NSHDSACASA-N 1 0 239.340 1.378 10 0 BDAERO Cc1ccccc1[C@@H](C)N1CC[C@@H]([NH3+])C1=O ZINC000049659990 179317445 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/nfs/dbraw/zinc/00/45/43/538004543.db2.gz MPIQPBYIORBXCO-UHFFFAOYSA-N 1 0 214.334 1.350 10 0 BDAERO Cc1ccnc(N[C@@H]2CC[C@@H]([NH+](C)C)C2)n1 ZINC000301934583 179458384 /nfs/dbraw/zinc/45/83/84/179458384.db2.gz QVVLRWOQWZLNGC-GHMZBOCLSA-N 1 0 220.320 1.680 10 0 BDAERO Cc1ccnc(Sc2cc(C(N)=[NH2+])ccn2)n1 ZINC000051331665 179464719 /nfs/dbraw/zinc/46/47/19/179464719.db2.gz LLMMLXCTACWTGP-UHFFFAOYSA-N 1 0 245.311 1.615 10 0 BDAERO CCN(Cc1ccccc1)C[C@H]1C[C@@H](O)C[NH2+]1 ZINC000227955494 348552158 /nfs/dbraw/zinc/55/21/58/348552158.db2.gz TUSRVVSXDGXONL-ZIAGYGMSSA-N 1 0 234.343 1.231 10 0 BDAERO Cc1cnc(=O)n(CC[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000063050491 179570128 /nfs/dbraw/zinc/57/01/28/179570128.db2.gz NVMRJCCRSQJVFP-YPMHNXCESA-N 1 0 249.358 1.720 10 0 BDAERO C[NH2+]C[C@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000420115950 192162412 /nfs/dbraw/zinc/16/24/12/192162412.db2.gz FVDKDMAKDWTFIN-SNVBAGLBSA-N 1 0 245.330 1.394 10 0 BDAERO C[C@@]([NH3+])(CN1CCSCC1)C1CC1 ZINC000037479192 348617632 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/nfs/dbraw/zinc/88/82/59/348888259.db2.gz IJHVHAYLDSPAGH-YPMHNXCESA-N 1 0 232.327 1.958 10 0 BDAERO Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000054305765 348979128 /nfs/dbraw/zinc/97/91/28/348979128.db2.gz FVXZNLZJEIGCQV-LLVKDONJSA-N 1 0 233.315 1.718 10 0 BDAERO Cc1cnn([C@H](c2cccnc2)[C@@H](C)[NH3+])c1 ZINC000043348878 179748419 /nfs/dbraw/zinc/74/84/19/179748419.db2.gz YWMVHXBTBWQMHQ-PWSUYJOCSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000223153364 179740029 /nfs/dbraw/zinc/74/00/29/179740029.db2.gz XEPSOBWIDVWUPA-NWDGAFQWSA-N 1 0 223.320 1.349 10 0 BDAERO C[C@@H]1CCCN(c2ncnc3[nH]ccc32)[C@H]1C[NH3+] ZINC000420179444 192170264 /nfs/dbraw/zinc/17/02/64/192170264.db2.gz CBGWIORRMRUOSC-KOLCDFICSA-N 1 0 245.330 1.522 10 0 BDAERO Cc1cnn(Cc2ccccc2CC[NH3+])c1 ZINC000082968832 179744787 /nfs/dbraw/zinc/74/47/87/179744787.db2.gz VDSSCOFJTRXIDA-UHFFFAOYSA-N 1 0 215.300 1.741 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1ncnc2ccccc21 ZINC000054375302 349032119 /nfs/dbraw/zinc/03/21/19/349032119.db2.gz AUBJYNQRGWRBKC-JTQLQIEISA-N 1 0 228.299 1.428 10 0 BDAERO CC[NH2+]Cc1snc(OC)c1Cl ZINC000616574657 349080538 /nfs/dbraw/zinc/08/05/38/349080538.db2.gz VKEQTQQAYWAWNC-UHFFFAOYSA-N 1 0 206.698 1.915 10 0 BDAERO C[NH2+][C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000055421658 349093882 /nfs/dbraw/zinc/09/38/82/349093882.db2.gz XSFZTTRYGXOPJU-GWCFXTLKSA-N 1 0 232.327 1.788 10 0 BDAERO COC[C@H](C)C[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246164387 349094485 /nfs/dbraw/zinc/09/44/85/349094485.db2.gz DPYOCDNTDIEKOG-FRRDWIJNSA-N 1 0 228.380 1.587 10 0 BDAERO C1CC12[C@@H]([NH2+]C1CCC1)C1CCN2CC1 ZINC000616576854 349097222 /nfs/dbraw/zinc/09/72/22/349097222.db2.gz FXGKXEXVIBMRKQ-LBPRGKRZSA-N 1 0 206.333 1.755 10 0 BDAERO CC(=O)NCc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000616576582 349102277 /nfs/dbraw/zinc/10/22/77/349102277.db2.gz WDKRBRLTVPNMPS-NSHDSACASA-N 1 0 219.288 1.142 10 0 BDAERO CCC[C@H](C)C(=O)N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000616571880 349061097 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349124872 /nfs/dbraw/zinc/12/48/72/349124872.db2.gz FFHYFCHQQJKGIB-SDDRHHMPSA-N 1 0 214.353 1.172 10 0 BDAERO CC[C@H](C)[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248372979 349125241 /nfs/dbraw/zinc/12/52/41/349125241.db2.gz FFHYFCHQQJKGIB-SRVKXCTJSA-N 1 0 214.353 1.172 10 0 BDAERO Cc1csc(C(C)(C)N2CC[NH2+]CC2)n1 ZINC000049820236 179766980 /nfs/dbraw/zinc/76/69/80/179766980.db2.gz WLJQVXUEMNHAPC-UHFFFAOYSA-N 1 0 225.361 1.592 10 0 BDAERO CN1C[C@H]([NH3+])[C@@H](c2ccc(Cl)c(F)c2)C1 ZINC000250607687 349177095 /nfs/dbraw/zinc/17/70/95/349177095.db2.gz LTLMCCREECKIAJ-KCJUWKMLSA-N 1 0 228.698 1.835 10 0 BDAERO CCN1CCC[C@H]1C[N@H+](C)C[C@H](C)COC ZINC000249458949 349159255 /nfs/dbraw/zinc/15/92/55/349159255.db2.gz DYTRWTMEUSIULL-STQMWFEESA-N 1 0 228.380 1.685 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH3+])O1 ZINC000251796026 349191070 /nfs/dbraw/zinc/19/10/70/349191070.db2.gz LTPVOLWXNWUJGQ-GRYCIOLGSA-N 1 0 240.347 1.284 10 0 BDAERO COCC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000616579503 349164596 /nfs/dbraw/zinc/16/45/96/349164596.db2.gz ULVAMCZZWGPOPV-UHFFFAOYSA-N 1 0 243.690 1.805 10 0 BDAERO C[C@@H]1C[C@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000252951172 349216183 /nfs/dbraw/zinc/21/61/83/349216183.db2.gz DPDRDAKQBUUTAA-MXWKQRLJSA-N 1 0 210.321 1.148 10 0 BDAERO C[C@@H]1CCN(c2ncnc3c2CCC3)C[C@H]1C[NH3+] ZINC000253195823 349227984 /nfs/dbraw/zinc/22/79/84/349227984.db2.gz SATIAPNUCZFLHV-GHMZBOCLSA-N 1 0 246.358 1.386 10 0 BDAERO CO[C@H](C)c1nc2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253721 538039253 /nfs/dbraw/zinc/03/92/53/538039253.db2.gz WIHHKSNVZMTDLP-HTQZYQBOSA-N 1 0 209.293 1.464 10 0 BDAERO C[C@@H](O)C[NH2+][C@H](C)COCc1ccccc1 ZINC000307016329 490251101 /nfs/dbraw/zinc/25/11/01/490251101.db2.gz VADABKBLKMAHFL-VXGBXAGGSA-N 1 0 223.316 1.562 10 0 BDAERO COc1c2c(ccc1F)snc2C[NH3+] ZINC000725254146 538042478 /nfs/dbraw/zinc/04/24/78/538042478.db2.gz NGWASZLTYSOKQM-UHFFFAOYSA-N 1 0 212.249 1.903 10 0 BDAERO CC(C)N1c2ccccc2NC[C@@H]1C[NH3+] ZINC000616585455 349373694 /nfs/dbraw/zinc/37/36/94/349373694.db2.gz QOCPSMRTYOCTRR-JTQLQIEISA-N 1 0 205.305 1.654 10 0 BDAERO Cc1nc(CN(C)C[C@H]2CC[NH2+]C2)cs1 ZINC000051890097 179946396 /nfs/dbraw/zinc/94/63/96/179946396.db2.gz ICDCRPNBURSROT-JTQLQIEISA-N 1 0 225.361 1.493 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000070532776 350016829 /nfs/dbraw/zinc/01/68/29/350016829.db2.gz MPNSXELMPUMNGK-UTUOFQBUSA-N 1 0 226.364 1.927 10 0 BDAERO OC[C@@H]1C[N@@H+]([C@@H]2C=CCCCCC2)CCO1 ZINC000309135014 350080594 /nfs/dbraw/zinc/08/05/94/350080594.db2.gz DAESNDRTIFZDII-OLZOCXBDSA-N 1 0 225.332 1.568 10 0 BDAERO Cc1nc(COc2ccc(CC[NH3+])cc2)no1 ZINC000037720397 179979237 /nfs/dbraw/zinc/97/92/37/179979237.db2.gz OWLGBPHSPQKUEV-UHFFFAOYSA-N 1 0 233.271 1.458 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CNC(=O)NC(C)(C)C ZINC000725255073 538050002 /nfs/dbraw/zinc/05/00/02/538050002.db2.gz QMZIGHGEQOZRIE-IUCAKERBSA-N 1 0 215.341 1.458 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000392856553 350108333 /nfs/dbraw/zinc/10/83/33/350108333.db2.gz RYDVVAGTPOATHC-WCBMZHEXSA-N 1 0 208.261 1.054 10 0 BDAERO Cc1nc(N2CCCC2)nc2c1CC[N@H+](C)CC2 ZINC000096254530 180000830 /nfs/dbraw/zinc/00/08/30/180000830.db2.gz RXJKNTIXUGGESK-UHFFFAOYSA-N 1 0 246.358 1.416 10 0 BDAERO Cc1nc(N2CCC[NH2+]CC2)nc2c1CCCC2 ZINC000062203437 180002091 /nfs/dbraw/zinc/00/20/91/180002091.db2.gz HHQVVGIGJZMRNU-UHFFFAOYSA-N 1 0 246.358 1.464 10 0 BDAERO Cc1nc(N2CCO[C@@H](C)C2)sc1[C@@H](C)[NH3+] ZINC000054864315 180002616 /nfs/dbraw/zinc/00/26/16/180002616.db2.gz VKPDXGGFIOTNGM-JGVFFNPUSA-N 1 0 241.360 1.696 10 0 BDAERO Cc1nc(N2C[C@@H](C)O[C@H](C)C2)sc1C[NH3+] ZINC000054995432 180003764 /nfs/dbraw/zinc/00/37/64/180003764.db2.gz PZMPUDOKOVMHMP-HTQZYQBOSA-N 1 0 241.360 1.524 10 0 BDAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)NCc1ccccc1 ZINC000051791215 350116244 /nfs/dbraw/zinc/11/62/44/350116244.db2.gz JYERGSIPLQNFMS-AAEUAGOBSA-N 1 0 232.327 1.691 10 0 BDAERO C[S@@](=O)C[C@@H]([NH3+])CCCc1ccccc1 ZINC000725255397 538052158 /nfs/dbraw/zinc/05/21/58/538052158.db2.gz AOLQZYLDCZHBJF-SWLSCSKDSA-N 1 0 225.357 1.715 10 0 BDAERO Cc1nc2cc(CCCN(C)CC[NH3+])ccc2[nH]1 ZINC000077403828 180077846 /nfs/dbraw/zinc/07/78/46/180077846.db2.gz KQHBEEPYZVHYAS-UHFFFAOYSA-N 1 0 246.358 1.694 10 0 BDAERO C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)N(C)C1CC1 ZINC000304248911 350150246 /nfs/dbraw/zinc/15/02/46/350150246.db2.gz QHQHOFGKUPLWQO-JQWIXIFHSA-N 1 0 228.380 1.466 10 0 BDAERO CC[C@H](C)N(C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304230346 350146150 /nfs/dbraw/zinc/14/61/50/350146150.db2.gz KMIBSRSDJLSDLP-NWDGAFQWSA-N 1 0 230.396 1.713 10 0 BDAERO CCN(CC)C[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000304261241 350151996 /nfs/dbraw/zinc/15/19/96/350151996.db2.gz TWTHQOMQLSXFLP-NEPJUHHUSA-N 1 0 230.396 1.713 10 0 BDAERO Cc1nc2ccccc2n1C[C@H](O)C[NH2+]C1CC1 ZINC000036950732 180104401 /nfs/dbraw/zinc/10/44/01/180104401.db2.gz UFUDEJCDWDPEPZ-GFCCVEGCSA-N 1 0 245.326 1.458 10 0 BDAERO CC(=O)[C@@H](C[NH3+])Cc1ccc2c(c1)CCN2C ZINC000098096023 191061554 /nfs/dbraw/zinc/06/15/54/191061554.db2.gz DFIJMBWHIYANQN-CYBMUJFWSA-N 1 0 232.327 1.385 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2O)s1 ZINC000040998120 180157799 /nfs/dbraw/zinc/15/77/99/180157799.db2.gz YEVJATSYJVDYCI-WDEREUQCSA-N 1 0 226.345 1.845 10 0 BDAERO Cc1ncc(C[n+]2ccccc2)c(C)n1 ZINC000003274112 180161554 /nfs/dbraw/zinc/16/15/54/180161554.db2.gz AUSDVYOYHMQOCV-UHFFFAOYSA-N 1 0 200.265 1.429 10 0 BDAERO CC[C@H](C)Cn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257604 538068085 /nfs/dbraw/zinc/06/80/85/538068085.db2.gz SXUJOQOKDORIQH-VIFPVBQESA-N 1 0 248.334 1.183 10 0 BDAERO Cc1ncc([C@@H](C)N2CC[NH2+]CC2)s1 ZINC000071478589 180171667 /nfs/dbraw/zinc/17/16/67/180171667.db2.gz IYVHCYCKFNOSEF-MRVPVSSYSA-N 1 0 211.334 1.418 10 0 BDAERO [NH3+]C1CN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC000220775122 350186721 /nfs/dbraw/zinc/18/67/21/350186721.db2.gz QMYOIEXLVADRMO-UHFFFAOYSA-N 1 0 246.232 1.728 10 0 BDAERO C[C@H](C[NH3+])CNc1nccc(C(F)(F)F)n1 ZINC000083387516 350191358 /nfs/dbraw/zinc/19/13/58/350191358.db2.gz VMELRGHUYKSHFX-ZCFIWIBFSA-N 1 0 234.225 1.502 10 0 BDAERO Cc1ncc(CNC[C@H]2CC[N@@H+](C)C2)s1 ZINC000037797622 180151912 /nfs/dbraw/zinc/15/19/12/180151912.db2.gz HZMALAUCVPILNF-SNVBAGLBSA-N 1 0 225.361 1.493 10 0 BDAERO Cc1nccc(CNc2cc(N)cc[nH+]2)n1 ZINC000044987787 180192507 /nfs/dbraw/zinc/19/25/07/180192507.db2.gz JVIUZNAINYRSBC-UHFFFAOYSA-N 1 0 215.260 1.374 10 0 BDAERO Cc1nccnc1N[C@@H](C)CCCC[NH3+] ZINC000336676447 180180374 /nfs/dbraw/zinc/18/03/74/180180374.db2.gz HQHJVKVIUNRDGQ-VIFPVBQESA-N 1 0 208.309 1.136 10 0 BDAERO Cc1nccc(CN2CC[C@H](C[NH2+]C(C)C)C2)n1 ZINC000053034044 180185993 /nfs/dbraw/zinc/18/59/93/180185993.db2.gz GLXXGFKGUWFQEU-CYBMUJFWSA-N 1 0 248.374 1.605 10 0 BDAERO Cc1nccc(CNC2=[NH+]C[C@H](C3CC3)S2)n1 ZINC000071307802 180188098 /nfs/dbraw/zinc/18/80/98/180188098.db2.gz OEHZOMKVGIUWEH-LLVKDONJSA-N 1 0 248.355 1.756 10 0 BDAERO Cc1nccc(C[NH2+]C2(CO)CCCC2)n1 ZINC000054790926 180188240 /nfs/dbraw/zinc/18/82/40/180188240.db2.gz ZDGLSSYHYYSORN-UHFFFAOYSA-N 1 0 221.304 1.180 10 0 BDAERO Cc1ncccc1O[C@@H](C)C1=[NH+]CCN1 ZINC000027715450 180227367 /nfs/dbraw/zinc/22/73/67/180227367.db2.gz OCIJHICNVUUHJR-VIFPVBQESA-N 1 0 205.261 1.159 10 0 BDAERO Cc1nc(C)c(-c2cc(C[NH3+])ncn2)s1 ZINC000074074040 350237364 /nfs/dbraw/zinc/23/73/64/350237364.db2.gz NPVZRICBMXLNOO-UHFFFAOYSA-N 1 0 220.301 1.676 10 0 BDAERO Cc1nccn1CC[N@@H+](C)Cc1cccc(N)c1 ZINC000049330754 180250598 /nfs/dbraw/zinc/25/05/98/180250598.db2.gz HCVLTJYRAFSTTE-UHFFFAOYSA-N 1 0 244.342 1.906 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCCN[C@@H]1C)C(C)C ZINC000396603699 323312292 /nfs/dbraw/zinc/31/22/92/323312292.db2.gz BSPMKCZZFKQPHB-WOPDTQHZSA-N 1 0 214.353 1.388 10 0 BDAERO C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C[C@H]1F ZINC000725262039 538087904 /nfs/dbraw/zinc/08/79/04/538087904.db2.gz SJWXYVYEPBQNTO-ZJUUUORDSA-N 1 0 246.326 1.943 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CCC[NH2+]C[C@@H]1F ZINC000725262168 538087965 /nfs/dbraw/zinc/08/79/65/538087965.db2.gz ZXTBMZBJOXFOMB-DTWKUNHWSA-N 1 0 232.299 1.601 10 0 BDAERO Cc1ncnc(NCC2CC[NH2+]CC2)c1C ZINC000045954773 180291500 /nfs/dbraw/zinc/29/15/00/180291500.db2.gz QRFJVYMEVDTMOO-UHFFFAOYSA-N 1 0 220.320 1.505 10 0 BDAERO C[NH2+]CC/N=C/c1cccc(OC)c1O ZINC000038189169 350309485 /nfs/dbraw/zinc/30/94/85/350309485.db2.gz OADQMFAHYRJMNP-MDWZMJQESA-N 1 0 208.261 1.039 10 0 BDAERO Cc1nccnc1SC[C@@H]1CCC[NH2+]1 ZINC000095068814 180279479 /nfs/dbraw/zinc/27/94/79/180279479.db2.gz RLJVRPRTMUWYDK-VIFPVBQESA-N 1 0 209.318 1.629 10 0 BDAERO Cc1nccnc1SC[C@H]1CC[NH2+]C1 ZINC000095068819 180280145 /nfs/dbraw/zinc/28/01/45/180280145.db2.gz JBJVFPBKDRVLJL-VIFPVBQESA-N 1 0 209.318 1.487 10 0 BDAERO C[C@@H]1Cc2nc[nH]c2[C@](C)(c2ccccc2O)[NH2+]1 ZINC000038675857 350320178 /nfs/dbraw/zinc/32/01/78/350320178.db2.gz ZCXRZENIQDABSJ-OTYXRUKQSA-N 1 0 243.310 1.913 10 0 BDAERO CC(C)COC[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324280787 350289916 /nfs/dbraw/zinc/28/99/16/350289916.db2.gz ONGSQYLWTVZKAW-NWDGAFQWSA-N 1 0 247.379 1.017 10 0 BDAERO Cc1ncn(C[C@@H]([NH3+])c2ccco2)c1C ZINC000040544031 180287171 /nfs/dbraw/zinc/28/71/71/180287171.db2.gz PUTWFFZOMGPWIX-SNVBAGLBSA-N 1 0 205.261 1.793 10 0 BDAERO CC(C)NC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725264140 538090438 /nfs/dbraw/zinc/09/04/38/538090438.db2.gz LYUPYMNDRADKCY-NSHDSACASA-N 1 0 239.363 1.616 10 0 BDAERO CC(C)NC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725264238 538090627 /nfs/dbraw/zinc/09/06/27/538090627.db2.gz QUSFRXDPLZMMTG-NSHDSACASA-N 1 0 239.363 1.698 10 0 BDAERO C[C@@H]1[C@H](C2CCCCC2)OCC[N@@H+]1CCO ZINC000039110990 350332549 /nfs/dbraw/zinc/33/25/49/350332549.db2.gz HCSROBCNBKUTEE-DGCLKSJQSA-N 1 0 227.348 1.648 10 0 BDAERO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000389129661 350370825 /nfs/dbraw/zinc/37/08/25/350370825.db2.gz DXFCCQCQXMHYNL-USZNOCQGSA-N 1 0 222.332 1.243 10 0 BDAERO Cc1ncsc1[C@@H](C)N1CC[NH2+]CC1 ZINC000041626852 180327142 /nfs/dbraw/zinc/32/71/42/180327142.db2.gz XDPJSBRGPSHNBV-SECBINFHSA-N 1 0 211.334 1.418 10 0 BDAERO Cc1nn(-c2cccc(C[NH3+])n2)c(C)c1C ZINC000051493381 180329392 /nfs/dbraw/zinc/32/93/92/180329392.db2.gz QOFMIBWIZTZCET-UHFFFAOYSA-N 1 0 216.288 1.651 10 0 BDAERO CCN(C)[C@@H](C[NH3+])CCNC(=O)OC(C)(C)C ZINC000226184843 350405791 /nfs/dbraw/zinc/40/57/91/350405791.db2.gz AAKLFAUOOPSEEK-SNVBAGLBSA-N 1 0 245.367 1.180 10 0 BDAERO CSC[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000328376140 350399917 /nfs/dbraw/zinc/39/99/17/350399917.db2.gz KPPHPLQMVDFTLZ-QJPTWQEYSA-N 1 0 229.389 1.975 10 0 BDAERO Cc1cc(C(=O)CC2C[NH2+]C2)ccc1F ZINC000226518007 350437534 /nfs/dbraw/zinc/43/75/34/350437534.db2.gz HZKZOGXVRLFWMM-UHFFFAOYSA-N 1 0 207.248 1.926 10 0 BDAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCO ZINC000105922176 180350106 /nfs/dbraw/zinc/35/01/06/180350106.db2.gz QUNHXIWJHIUXCV-GFCCVEGCSA-N 1 0 237.347 1.556 10 0 BDAERO CCCCNC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000725264519 538092022 /nfs/dbraw/zinc/09/20/22/538092022.db2.gz TYZBXCMUHAMXIP-DGCLKSJQSA-N 1 0 239.363 1.842 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Cc1ccccc1 ZINC000226372647 350424963 /nfs/dbraw/zinc/42/49/63/350424963.db2.gz PDXUTZCBPJLPOG-PWSUYJOCSA-N 1 0 203.285 1.654 10 0 BDAERO Cc1nn(C)c(C)c1CN[C@@H](C)CC[NH+](C)C ZINC000049553565 180341027 /nfs/dbraw/zinc/34/10/27/180341027.db2.gz DERLIXGILWFWLR-JTQLQIEISA-N 1 0 238.379 1.467 10 0 BDAERO CC(C)(C)NC(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000725264932 538093348 /nfs/dbraw/zinc/09/33/48/538093348.db2.gz XNAXXBOMGWPABB-UHFFFAOYSA-N 1 0 247.289 1.035 10 0 BDAERO C[C@H](O)C(C)(C)C[N@@H+]1CCOC[C@@H]1C ZINC000227293207 350491065 /nfs/dbraw/zinc/49/10/65/350491065.db2.gz VCDXBTCIXXOXIP-UWVGGRQHSA-N 1 0 201.310 1.114 10 0 BDAERO COc1ccccc1[C@@H]1C[NH2+]C[C@@H]1CF ZINC000409424227 350475935 /nfs/dbraw/zinc/47/59/35/350475935.db2.gz XTGAQCUYTAYKRU-GXSJLCMTSA-N 1 0 209.264 1.968 10 0 BDAERO CC(C)(C)c1ccnc(N2CCC[C@H]([NH3+])C2)n1 ZINC000232521333 535133114 /nfs/dbraw/zinc/13/31/14/535133114.db2.gz CREURWYIOXXODS-JTQLQIEISA-N 1 0 234.347 1.702 10 0 BDAERO [NH3+]CCn1nc(-c2ccccn2)c2c1CCC2 ZINC000409436837 350479912 /nfs/dbraw/zinc/47/99/12/350479912.db2.gz BHQGBDSWUOCPET-UHFFFAOYSA-N 1 0 228.299 1.393 10 0 BDAERO NC(=[NH2+])Cc1c[nH]nc1-c1ccccc1 ZINC000409437287 350480423 /nfs/dbraw/zinc/48/04/23/350480423.db2.gz FSESNPZOYNKZEB-UHFFFAOYSA-N 1 0 200.245 1.555 10 0 BDAERO CCn1nc(C2CC[NH2+]CC2)c2c1CCC2 ZINC000409441185 350482114 /nfs/dbraw/zinc/48/21/14/350482114.db2.gz XHKMPRASTPDPCV-UHFFFAOYSA-N 1 0 219.332 1.859 10 0 BDAERO Cc1nn(C[C@H](C)C[NH3+])c(C)c1Br ZINC000020313536 180390552 /nfs/dbraw/zinc/39/05/52/180390552.db2.gz CGEFFDZQJVHOSK-ZCFIWIBFSA-N 1 0 246.152 1.857 10 0 BDAERO Cc1nn(C[C@H]2CCCC[NH2+]2)c(C)c1C ZINC000043494376 180390557 /nfs/dbraw/zinc/39/05/57/180390557.db2.gz HRTYKCQPUXHALC-GFCCVEGCSA-N 1 0 207.321 1.950 10 0 BDAERO Cc1nn(C[C@H]2CC[NH2+]C2)c(C)c1Cl ZINC000051890522 180390780 /nfs/dbraw/zinc/39/07/80/180390780.db2.gz HBISVUCMKGCYER-VIFPVBQESA-N 1 0 213.712 1.763 10 0 BDAERO Cc1nn(C[C@H](C)C[NH3+])c(C)c1Cl ZINC000020313447 180390783 /nfs/dbraw/zinc/39/07/83/180390783.db2.gz ZYPVPSYQJRGGIV-ZCFIWIBFSA-N 1 0 201.701 1.748 10 0 BDAERO Cc1nn(C[C@H]2CCC[NH2+]C2)c(C)c1C ZINC000043472188 180390998 /nfs/dbraw/zinc/39/09/98/180390998.db2.gz BCBKLJATUAVYCH-LBPRGKRZSA-N 1 0 207.321 1.808 10 0 BDAERO C/C(=C/Cl)CN1CC[C@H](C)[C@H]([NH3+])C1 ZINC000308115227 350529406 /nfs/dbraw/zinc/52/94/06/350529406.db2.gz WJWQHBJCNRSDNV-FGRQDEOASA-N 1 0 202.729 1.798 10 0 BDAERO COc1cccnc1NC[C@@H]1CCC[NH2+]C1 ZINC000159439705 350532669 /nfs/dbraw/zinc/53/26/69/350532669.db2.gz KLOWXDQGYLWOTH-SNVBAGLBSA-N 1 0 221.304 1.502 10 0 BDAERO O=Cc1ccc(-c2cnnn2[C@@H]2CC[NH2+]C2)cc1 ZINC000725266205 538095194 /nfs/dbraw/zinc/09/51/94/538095194.db2.gz XESVSBKTTNMLRW-GFCCVEGCSA-N 1 0 242.282 1.292 10 0 BDAERO O[C@@]1(C(F)(F)F)CC[N@@H+]2CCCC[C@@H]21 ZINC000227925604 350520258 /nfs/dbraw/zinc/52/02/58/350520258.db2.gz SNOXZNPBSVOVCG-SFYZADRCSA-N 1 0 209.211 1.538 10 0 BDAERO CC[C@@H]([NH2+][C@H](C)c1cccs1)C(N)=O ZINC000061676681 350523995 /nfs/dbraw/zinc/52/39/95/350523995.db2.gz OPZCZXNLIOLLCL-HTQZYQBOSA-N 1 0 212.318 1.663 10 0 BDAERO C(CN1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCOC1 ZINC000300360669 191112210 /nfs/dbraw/zinc/11/22/10/191112210.db2.gz YDUFHWFZHHVAAL-OLZOCXBDSA-N 1 0 224.348 1.193 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2cncnc2)CC1 ZINC000616593788 350585517 /nfs/dbraw/zinc/58/55/17/350585517.db2.gz LFOUIKYWQXKBRW-LBPRGKRZSA-N 1 0 221.304 1.648 10 0 BDAERO Cc1nnc(SC[C@H]2CC[NH2+]C2)s1 ZINC000051891048 180439670 /nfs/dbraw/zinc/43/96/70/180439670.db2.gz FKVLCXWUNOIHDQ-ZETCQYMHSA-N 1 0 215.347 1.548 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2cccnc2N)CC1 ZINC000616594745 350597172 /nfs/dbraw/zinc/59/71/72/350597172.db2.gz RESOIYJVMKUMKK-SNVBAGLBSA-N 1 0 207.277 1.057 10 0 BDAERO Cc1nnc([C@H]([NH3+])C2CC2)n1-c1ccccc1 ZINC000054504009 180446493 /nfs/dbraw/zinc/44/64/93/180446493.db2.gz WGNBVOZCRBNLQS-GFCCVEGCSA-N 1 0 228.299 1.986 10 0 BDAERO CC(C)(C)NC(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125061308 538097651 /nfs/dbraw/zinc/09/76/51/538097651.db2.gz CDONUNKFJLYTTJ-SNVBAGLBSA-N 1 0 227.352 1.698 10 0 BDAERO CC(C)NC(=O)N1CCCCC[C@@H]1C[NH3+] ZINC000125057072 538097693 /nfs/dbraw/zinc/09/76/93/538097693.db2.gz VNZZWXGXRUIKKX-SNVBAGLBSA-N 1 0 213.325 1.308 10 0 BDAERO C[N@@H+]1CCC[C@H]1CN(CCO)Cc1ccccc1 ZINC000386363951 362973665 /nfs/dbraw/zinc/97/36/65/362973665.db2.gz WUUHHXQXVBMHFB-HNNXBMFYSA-N 1 0 248.370 1.575 10 0 BDAERO CC[N@@H+]1CCOC[C@@H](c2ccccc2C(N)=O)C1 ZINC000616597570 350652671 /nfs/dbraw/zinc/65/26/71/350652671.db2.gz KRDOMVDHGOSVQA-NSHDSACASA-N 1 0 248.326 1.221 10 0 BDAERO c1ccc2c(c1)cncc2[C@H]1C[NH2+]CCOC1 ZINC000616597979 350654359 /nfs/dbraw/zinc/65/43/59/350654359.db2.gz MOHHIKOJSXXSCO-LBPRGKRZSA-N 1 0 228.295 1.938 10 0 BDAERO C[C@@H]1CC(C[NH2+]C2CCOCC2)C[C@@H](C)O1 ZINC000334522560 350675505 /nfs/dbraw/zinc/67/55/05/350675505.db2.gz QNDZGYZKHZIUAD-GHMZBOCLSA-N 1 0 227.348 1.959 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC000309508676 350679460 /nfs/dbraw/zinc/67/94/60/350679460.db2.gz OGMQORRALZOQAI-YVNMAJEFSA-N 1 0 210.321 1.100 10 0 BDAERO CC[N@@H+]1CCCOC[C@@H]1c1ccncn1 ZINC000616599685 350755014 /nfs/dbraw/zinc/75/50/14/350755014.db2.gz NCSWWZZJKGLEQG-LLVKDONJSA-N 1 0 207.277 1.260 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1ccccc1CO ZINC000616600038 350779356 /nfs/dbraw/zinc/77/93/56/350779356.db2.gz YUPMPUVNIQZMCG-CYBMUJFWSA-N 1 0 221.300 1.572 10 0 BDAERO CN1CC[NH2+][C@H](c2cnnc3ccccc32)C1 ZINC000616601390 350782197 /nfs/dbraw/zinc/78/21/97/350782197.db2.gz GTAFYTWYAYHROA-ZDUSSCGKSA-N 1 0 228.299 1.206 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2ccc(CO)cc2)C1 ZINC000616603754 350789709 /nfs/dbraw/zinc/78/97/09/350789709.db2.gz HNPSCLDXBWMYJN-HNNXBMFYSA-N 1 0 249.354 1.741 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ccnnc2)CC1 ZINC000616602053 350790827 /nfs/dbraw/zinc/79/08/27/350790827.db2.gz QODPCWKAFBCGDN-LLVKDONJSA-N 1 0 221.304 1.038 10 0 BDAERO CN1CC[NH2+][C@@H](c2cccc3ccncc32)C1 ZINC000616602090 350791030 /nfs/dbraw/zinc/79/10/30/350791030.db2.gz WOAXATYXXQTDRO-CQSZACIVSA-N 1 0 227.311 1.811 10 0 BDAERO NC(=O)c1ccc([C@H]2CCCC[NH2+]C2)cc1 ZINC000616604973 350794113 /nfs/dbraw/zinc/79/41/13/350794113.db2.gz IDOJYEHRHBMFIY-LBPRGKRZSA-N 1 0 218.300 1.643 10 0 BDAERO CCc1nnc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)n1C ZINC000177537337 366007153 /nfs/dbraw/zinc/00/71/53/366007153.db2.gz LDYUKCWFLKIYSC-VXGBXAGGSA-N 1 0 248.374 2.000 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@H](c2nn[nH]n2)C1 ZINC000616605394 350794980 /nfs/dbraw/zinc/79/49/80/350794980.db2.gz ZZYGUWZCPKUKRL-VIFPVBQESA-N 1 0 209.297 1.178 10 0 BDAERO OCC[N@@H+]1CCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616606379 350797209 /nfs/dbraw/zinc/79/72/09/350797209.db2.gz ADDDCTCEQHCWPZ-CQSZACIVSA-N 1 0 243.310 1.759 10 0 BDAERO [NH3+]CCN1CCC[C@H]1c1ccc2nnccc2c1 ZINC000616608188 350799602 /nfs/dbraw/zinc/79/96/02/350799602.db2.gz NHCOJFGAOJWUKG-AWEZNQCLSA-N 1 0 242.326 1.725 10 0 BDAERO Nc1ccccc1[C@@H]1CCC[N@@H+]1CCO ZINC000616608192 350800226 /nfs/dbraw/zinc/80/02/26/350800226.db2.gz NJZAGGFBYMOWIF-LBPRGKRZSA-N 1 0 206.289 1.398 10 0 BDAERO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616609550 350803506 /nfs/dbraw/zinc/80/35/06/350803506.db2.gz BDNCTPMVIHNOMH-CYBMUJFWSA-N 1 0 232.327 1.774 10 0 BDAERO Nc1cccc([C@H]2CCCN2CC[NH3+])c1 ZINC000616608372 350804851 /nfs/dbraw/zinc/80/48/51/350804851.db2.gz RWIUSXQGBSCHLW-GFCCVEGCSA-N 1 0 205.305 1.364 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H]1c1ccc(CO)cc1 ZINC000616614515 350835688 /nfs/dbraw/zinc/83/56/88/350835688.db2.gz SVKBNUBANJAECO-CQSZACIVSA-N 1 0 235.327 1.698 10 0 BDAERO Cc1nn(C)cc1C(=O)CC1([NH3+])CCC1 ZINC000306681992 350838803 /nfs/dbraw/zinc/83/88/03/350838803.db2.gz POHHOQKJNLVIQM-UHFFFAOYSA-N 1 0 207.277 1.183 10 0 BDAERO C[C@@H](c1cnccn1)N(C)C[C@H]1CCC[NH2+]1 ZINC000247721581 350849659 /nfs/dbraw/zinc/84/96/59/350849659.db2.gz AZOAFNBRGXFXCW-WDEREUQCSA-N 1 0 220.320 1.221 10 0 BDAERO C[C@@H](O)CNc1c(N)c[nH+]cc1Cl ZINC000306707164 350854980 /nfs/dbraw/zinc/85/49/80/350854980.db2.gz JJYIAAAXQGNFBB-RXMQYKEDSA-N 1 0 201.657 1.110 10 0 BDAERO OCC[N@@H+]1CCCC[C@H]1c1ccccc1CO ZINC000616616502 350856167 /nfs/dbraw/zinc/85/61/67/350856167.db2.gz QVXDNQQQHSIDTQ-AWEZNQCLSA-N 1 0 235.327 1.698 10 0 BDAERO C[C@@H]1CC[C@H]([N@H+](C)CCN(C)CCO)C[C@H]1C ZINC000623091020 350863315 /nfs/dbraw/zinc/86/33/15/350863315.db2.gz KINHFAYCGPQKAA-MCIONIFRSA-N 1 0 242.407 1.667 10 0 BDAERO CC[C@@H]1C[NH2+]C[C@H]1N(C)[C@H]1CCSC1 ZINC000251877854 350905456 /nfs/dbraw/zinc/90/54/56/350905456.db2.gz UZDMFRKPFDGTJS-OUAUKWLOSA-N 1 0 214.378 1.422 10 0 BDAERO CN(CC[N@H+](C)CCO)Cc1cccc(F)c1 ZINC000623091435 350875139 /nfs/dbraw/zinc/87/51/39/350875139.db2.gz BQAKFRVIRFWDTL-UHFFFAOYSA-N 1 0 240.322 1.182 10 0 BDAERO C[NH2+][C@H](C)c1ncncc1Br ZINC000306718114 350878343 /nfs/dbraw/zinc/87/83/43/350878343.db2.gz IGBWAIQMEKTMOW-RXMQYKEDSA-N 1 0 216.082 1.520 10 0 BDAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)COC ZINC000251248000 350893716 /nfs/dbraw/zinc/89/37/16/350893716.db2.gz BMAAABZZMAYNDY-AXFHLTTASA-N 1 0 230.352 1.304 10 0 BDAERO Cc1occc1C(=O)N1CC[C@@H]2CC[C@H](C1)[NH2+]2 ZINC000096058538 180536587 /nfs/dbraw/zinc/53/65/87/180536587.db2.gz QIVHNNPFFRYNAZ-WDEREUQCSA-N 1 0 234.299 1.555 10 0 BDAERO C[C@H](OCC[N@H+](C)Cc1ccccc1)C(N)=[NH2+] ZINC000306758921 350969580 /nfs/dbraw/zinc/96/95/80/350969580.db2.gz UTVPJESRWAVGSP-NSHDSACASA-N 1 0 235.331 1.459 10 0 BDAERO C[S@](=O)Cc1cccc(C[NH3+])c1F ZINC000222557796 350985216 /nfs/dbraw/zinc/98/52/16/350985216.db2.gz SPDZKHJTIXGWOS-ZDUSSCGKSA-N 1 0 201.266 1.163 10 0 BDAERO C1OCC1[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000309686245 191128154 /nfs/dbraw/zinc/12/81/54/191128154.db2.gz OGDYHBDBYZZFGE-QJPTWQEYSA-N 1 0 223.316 1.323 10 0 BDAERO [NH3+]C[C@H]1CSCCN1c1nccs1 ZINC000306776149 351018106 /nfs/dbraw/zinc/01/81/06/351018106.db2.gz YBJQEWGKISKQPT-ZETCQYMHSA-N 1 0 215.347 1.024 10 0 BDAERO Cc1cc(C(=O)C2([NH3+])CCCC2)sn1 ZINC000306786171 351033535 /nfs/dbraw/zinc/03/35/35/351033535.db2.gz UQPZKQQQGKBEHH-UHFFFAOYSA-N 1 0 210.302 1.906 10 0 BDAERO NC(=O)c1cccc([C@H]2CCCCC[NH2+]2)c1 ZINC000616621534 351043459 /nfs/dbraw/zinc/04/34/59/351043459.db2.gz GJJKHVSAUDPZQI-GFCCVEGCSA-N 1 0 218.300 1.990 10 0 BDAERO CCCNC(=[NH2+])N[C@@H]1CS[C@H](C)C1 ZINC000306773115 351010509 /nfs/dbraw/zinc/01/05/09/351010509.db2.gz IIOODUOGGWZSSK-SFYZADRCSA-N 1 0 201.339 1.404 10 0 BDAERO C[C@@](O)([C@H]1CCC[NH2+]1)C(F)(F)Br ZINC000306772883 351010629 /nfs/dbraw/zinc/01/06/29/351010629.db2.gz HURLVIICUYRDJW-PHDIDXHHSA-N 1 0 244.079 1.477 10 0 BDAERO [NH3+][C@@H]1CC[C@@](F)(Cc2cncs2)C1 ZINC000159842674 351013230 /nfs/dbraw/zinc/01/32/30/351013230.db2.gz MPMWNMPTYKGKBX-APPZFPTMSA-N 1 0 200.282 1.905 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCCSC2)[nH]1 ZINC000129233398 351014131 /nfs/dbraw/zinc/01/41/31/351014131.db2.gz UYCCTWPUWBSDQS-SECBINFHSA-N 1 0 211.334 1.703 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2cccc(CO)c2)C1 ZINC000616631789 351108478 /nfs/dbraw/zinc/10/84/78/351108478.db2.gz CSQOANDUXIMOFD-CQSZACIVSA-N 1 0 248.370 1.924 10 0 BDAERO CCN1CC[NH2+][C@@H](c2cccc(CO)c2)C1 ZINC000616631815 351108785 /nfs/dbraw/zinc/10/87/85/351108785.db2.gz FDHBXUWYOXNBNE-CYBMUJFWSA-N 1 0 220.316 1.145 10 0 BDAERO CC[N@@H+]1CCN[C@@H](c2cc3ccccc3nn2)C1 ZINC000616632098 351110169 /nfs/dbraw/zinc/11/01/69/351110169.db2.gz LJYNDGYHTOMGJI-CQSZACIVSA-N 1 0 242.326 1.596 10 0 BDAERO CC(C)[N@@H+]1CCN[C@H](c2ccccc2N)C1 ZINC000616632549 351112017 /nfs/dbraw/zinc/11/20/17/351112017.db2.gz LNOXYBBKUBNACI-ZDUSSCGKSA-N 1 0 219.332 1.624 10 0 BDAERO c1c[nH]c([C@H]2C[N@H+](Cc3ccccc3)CCN2)n1 ZINC000616632799 351113277 /nfs/dbraw/zinc/11/32/77/351113277.db2.gz ATTWGFVUEHTZSZ-CYBMUJFWSA-N 1 0 242.326 1.556 10 0 BDAERO CN1CC[NH2+][C@H](c2cccc3ccnnc32)C1 ZINC000616632942 351113878 /nfs/dbraw/zinc/11/38/78/351113878.db2.gz SLRNNRKCZMUBES-LBPRGKRZSA-N 1 0 228.299 1.206 10 0 BDAERO Cc1cocc1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000306812175 351081697 /nfs/dbraw/zinc/08/16/97/351081697.db2.gz YLWOXHXTDKPXGU-SECBINFHSA-N 1 0 209.245 1.149 10 0 BDAERO OCCc1cccc([C@@H]2CCC[N@@H+](CCO)C2)c1 ZINC000616621669 351083553 /nfs/dbraw/zinc/08/35/53/351083553.db2.gz VGUIGUWCKYKFCB-OAHLLOKOSA-N 1 0 249.354 1.393 10 0 BDAERO [NH3+]CCN1CCCCC[C@H]1c1ccon1 ZINC000616625896 351086724 /nfs/dbraw/zinc/08/67/24/351086724.db2.gz WXLIDOABPCWYAW-NSHDSACASA-N 1 0 209.293 1.550 10 0 BDAERO [NH3+]CCN1CCCCC[C@@H]1c1cncnc1 ZINC000616623805 351090200 /nfs/dbraw/zinc/09/02/00/351090200.db2.gz ICFRYZNSRKFDFJ-GFCCVEGCSA-N 1 0 220.320 1.352 10 0 BDAERO OCC[N@@H+]1CCCCC[C@@H]1c1cncnc1 ZINC000616625018 351093078 /nfs/dbraw/zinc/09/30/78/351093078.db2.gz UYCGUHJWMWJJGA-GFCCVEGCSA-N 1 0 221.304 1.386 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2ccno2)CC1 ZINC000616627373 351094595 /nfs/dbraw/zinc/09/45/95/351094595.db2.gz LARJQESBMWVMMU-SNVBAGLBSA-N 1 0 209.293 1.203 10 0 BDAERO Nc1ccc([C@@H]2CCCN(CC[NH3+])CC2)cc1 ZINC000616627321 351094709 /nfs/dbraw/zinc/09/47/09/351094709.db2.gz IEPXUUSFBWPNKT-GFCCVEGCSA-N 1 0 233.359 1.797 10 0 BDAERO OCC[N@@H+]1CCCCC[C@H]1c1cncnc1 ZINC000616625719 351094794 /nfs/dbraw/zinc/09/47/94/351094794.db2.gz UYCGUHJWMWJJGA-LBPRGKRZSA-N 1 0 221.304 1.386 10 0 BDAERO [NH3+]CCN1CCCC[C@@H](c2cccnn2)C1 ZINC000616628369 351097988 /nfs/dbraw/zinc/09/79/88/351097988.db2.gz KDQDKACLUNZOTD-LLVKDONJSA-N 1 0 220.320 1.005 10 0 BDAERO COc1ccccc1[C@H]1COCCN1CC[NH3+] ZINC000616640202 351145537 /nfs/dbraw/zinc/14/55/37/351145537.db2.gz UJOHBRVVRYDQDG-GFCCVEGCSA-N 1 0 236.315 1.027 10 0 BDAERO c1cc2ccnnc2c([C@@H]2C[NH2+]CCO2)c1 ZINC000616642946 351153470 /nfs/dbraw/zinc/15/34/70/351153470.db2.gz OESQNEFECJYCTG-NSHDSACASA-N 1 0 215.256 1.291 10 0 BDAERO CCc1csc(S[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000306846530 351158201 /nfs/dbraw/zinc/15/82/01/351158201.db2.gz KAIXMYJBYPPKQU-HTQZYQBOSA-N 1 0 230.358 1.130 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cnno2)C1 ZINC000616653870 351194978 /nfs/dbraw/zinc/19/49/78/351194978.db2.gz XDGKLPMJZALUGG-SNVBAGLBSA-N 1 0 225.292 1.632 10 0 BDAERO [NH3+]CCN1CCCOC[C@H]1c1ccccc1F ZINC000616645837 351168586 /nfs/dbraw/zinc/16/85/86/351168586.db2.gz PRWUOOLJRFYHDL-ZDUSSCGKSA-N 1 0 238.306 1.548 10 0 BDAERO CC[N@@H+]1CCCOC[C@@H]1c1cccc(N)n1 ZINC000616645939 351169511 /nfs/dbraw/zinc/16/95/11/351169511.db2.gz MGRSADLLHGDFPN-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO CC(C)(C)[C@H]1C[N@H+](CCO)CCCO1 ZINC000616653701 351193556 /nfs/dbraw/zinc/19/35/56/351193556.db2.gz VSECSOISFREPIL-SNVBAGLBSA-N 1 0 201.310 1.116 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2ccon2)C1 ZINC000616650096 351173104 /nfs/dbraw/zinc/17/31/04/351173104.db2.gz SUWMFLYGRWCLNO-NSHDSACASA-N 1 0 210.277 1.846 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2cnco2)C1 ZINC000616648738 351177159 /nfs/dbraw/zinc/17/71/59/351177159.db2.gz AVSWRVAZZWKLLE-NSHDSACASA-N 1 0 210.277 1.846 10 0 BDAERO COC(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616648822 351177170 /nfs/dbraw/zinc/17/71/70/351177170.db2.gz DEEVELJZKOKSJH-VIFPVBQESA-N 1 0 215.293 1.049 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@@H](CCO)C1 ZINC000616653633 351194020 /nfs/dbraw/zinc/19/40/20/351194020.db2.gz RHPSKQZYRRTMJZ-JTQLQIEISA-N 1 0 201.310 1.258 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2cccnn2)C1 ZINC000616654016 351195048 /nfs/dbraw/zinc/19/50/48/351195048.db2.gz JCUUCKXLCNBQTP-LLVKDONJSA-N 1 0 221.304 1.038 10 0 BDAERO OCc1ccc([C@@H]2C[NH2+]CCCO2)cc1 ZINC000616651611 351182953 /nfs/dbraw/zinc/18/29/53/351182953.db2.gz COOOFGWIXXFBGO-LBPRGKRZSA-N 1 0 207.273 1.230 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2cncnc2)C1 ZINC000616652118 351189587 /nfs/dbraw/zinc/18/95/87/351189587.db2.gz DPXKXFOMNIHVKC-LLVKDONJSA-N 1 0 221.304 1.038 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2ccncc2)C1 ZINC000616652069 351189918 /nfs/dbraw/zinc/18/99/18/351189918.db2.gz DIGSKABMTGQSJL-CYBMUJFWSA-N 1 0 220.316 1.643 10 0 BDAERO CNc1ccc([C@H]2C[NH2+]CCCO2)cc1 ZINC000616651996 351189982 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BRKYIELIKJFQCN-RXMQYKEDSA-N 1 0 202.304 1.226 10 0 BDAERO CC(C)[C@H]1[C@@H](C)[NH2+][C@H](C)CC[S@]1=O ZINC000307131366 351496101 /nfs/dbraw/zinc/49/61/01/351496101.db2.gz ZZVMDEJZACVFJA-ORXSELOVSA-N 1 0 203.351 1.530 10 0 BDAERO O[C@]1(Cc2ccc(Br)o2)CC[NH2+]C1 ZINC000307140102 351497208 /nfs/dbraw/zinc/49/72/08/351497208.db2.gz HTNGZXBWYFWYBO-VIFPVBQESA-N 1 0 246.104 1.309 10 0 BDAERO Clc1nccc(COCC2CC[NH2+]CC2)n1 ZINC000095070145 180601416 /nfs/dbraw/zinc/60/14/16/180601416.db2.gz JXYOLYZOMAVDOS-UHFFFAOYSA-N 1 0 241.722 1.646 10 0 BDAERO [NH3+]C[C@]1(C2CCOCC2)CCCS1 ZINC000307160685 351511799 /nfs/dbraw/zinc/51/17/99/351511799.db2.gz FFCHENBJAOYFFZ-JTQLQIEISA-N 1 0 201.335 1.638 10 0 BDAERO CN1CCC[C@@H]1C[NH2+][C@H]1CSC1(C)C ZINC000307163144 351528739 /nfs/dbraw/zinc/52/87/39/351528739.db2.gz LONOGMCKXVCWFC-ZJUUUORDSA-N 1 0 214.378 1.564 10 0 BDAERO Cn1ccc([C@@H]([NH3+])[C@]2(C)CCCS2)n1 ZINC000232013259 351529560 /nfs/dbraw/zinc/52/95/60/351529560.db2.gz CZYCPYJYXAWNPY-ZJUUUORDSA-N 1 0 211.334 1.706 10 0 BDAERO C[C@@H]1CN(C(C)(C)C(F)(F)F)CC[NH2+]1 ZINC000307167744 351541740 /nfs/dbraw/zinc/54/17/40/351541740.db2.gz SISNTARIKNRDAQ-SSDOTTSWSA-N 1 0 210.243 1.621 10 0 BDAERO COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)[C@@H](F)[C@@H]1CCC[N@@H+]21 ZINC000606304421 351563188 /nfs/dbraw/zinc/56/31/88/351563188.db2.gz YPPKYYKSDZTHDT-CSYMLDBXSA-N 1 0 241.306 1.760 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C1CCSCC1 ZINC000307211420 351611090 /nfs/dbraw/zinc/61/10/90/351611090.db2.gz NTQPOSCUYBDDHI-SCZZXKLOSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@@H]1CCN[C@@](C)([C@@H]2CCC[NH2+]2)S1 ZINC000307225308 351656955 /nfs/dbraw/zinc/65/69/55/351656955.db2.gz UKUOQYMAVWLRIX-KXUCPTDWSA-N 1 0 200.351 1.570 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)C1CCC=CCC1 ZINC000637860087 351721181 /nfs/dbraw/zinc/72/11/81/351721181.db2.gz UVKHPHBXDQXWEF-LBPRGKRZSA-N 1 0 222.332 1.683 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000037045342 358466444 /nfs/dbraw/zinc/46/64/44/358466444.db2.gz 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/nfs/dbraw/zinc/67/28/20/352672820.db2.gz OBSKDQXNMSFRLV-IONNQARKSA-N 1 0 212.322 1.021 10 0 BDAERO [NH2+]=C1CCCCN1C1CCS(=O)CC1 ZINC000229237749 352666506 /nfs/dbraw/zinc/66/65/06/352666506.db2.gz LGDXNHJOUPALOU-UHFFFAOYSA-N 1 0 214.334 1.361 10 0 BDAERO C[NH2+]Cc1csc(N2C[C@@H]3C[C@@H]3C2)n1 ZINC000307495642 352625368 /nfs/dbraw/zinc/62/53/68/352625368.db2.gz IPCMRQFSDDNJJW-OCAPTIKFSA-N 1 0 209.318 1.319 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N1C[C@@H]2C[C@@H]2C1 ZINC000307499018 352626590 /nfs/dbraw/zinc/62/65/90/352626590.db2.gz KUZSSFACCHFPQC-TXEJJXNPSA-N 1 0 215.300 1.663 10 0 BDAERO Cc1nnsc1CO[C@@H]1CCC[C@H]1[NH3+] ZINC000307499992 352626662 /nfs/dbraw/zinc/62/66/62/352626662.db2.gz MEXFHMLUOGVALT-HTQZYQBOSA-N 1 0 213.306 1.243 10 0 BDAERO Cc1cc(O)cc(NC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000638757109 352688297 /nfs/dbraw/zinc/68/82/97/352688297.db2.gz OBACOUAGOQFQLF-CYBMUJFWSA-N 1 0 234.299 1.781 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)N1CCc2sccc2C1 ZINC000307628938 352706162 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/nfs/dbraw/zinc/03/59/86/353035986.db2.gz ZRDUPHKGXMXZHL-KGLIPLIRSA-N 1 0 235.327 1.572 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCCC23CC3)C1 ZINC000638831393 353011109 /nfs/dbraw/zinc/01/11/09/353011109.db2.gz KIMAIUIPQOHWGE-TUAOUCFPSA-N 1 0 236.359 1.953 10 0 BDAERO O=C(N[C@H]1CCCC12CC2)[C@@H]1CC[NH2+]C1 ZINC000638831438 353011423 /nfs/dbraw/zinc/01/14/23/353011423.db2.gz LHDKPLUYXSJJFG-ZJUUUORDSA-N 1 0 208.305 1.045 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000638890210 353058159 /nfs/dbraw/zinc/05/81/59/353058159.db2.gz COMFUCPIMZAMQB-BXKDBHETSA-N 1 0 233.315 1.057 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC=CCC2)C[C@@H]1C[NH3+] ZINC000638899921 353062396 /nfs/dbraw/zinc/06/23/96/353062396.db2.gz DNRVCKVMFNNTLR-AAEUAGOBSA-N 1 0 236.359 1.786 10 0 BDAERO C[C@@H]1CN(C(=O)CC2=CCCCC2)C[C@H]1C[NH3+] ZINC000638907083 353068166 /nfs/dbraw/zinc/06/81/66/353068166.db2.gz ZBDBGPXMBSMWHD-DGCLKSJQSA-N 1 0 236.359 1.930 10 0 BDAERO CC(C)CC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000348111601 366085492 /nfs/dbraw/zinc/08/54/92/366085492.db2.gz AQHFTVGLZGXZNI-GRYCIOLGSA-N 1 0 215.337 1.551 10 0 BDAERO CCC[C@H](C)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638887926 353049310 /nfs/dbraw/zinc/04/93/10/353049310.db2.gz WQRWMPBRCSBIEL-GARJFASQSA-N 1 0 212.337 1.476 10 0 BDAERO C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@@H]1C[NH3+] ZINC000638887685 353049605 /nfs/dbraw/zinc/04/96/05/353049605.db2.gz MKGWXMFDKDJXCP-SCZZXKLOSA-N 1 0 249.314 1.219 10 0 BDAERO C[C@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@@H]1C[NH3+] ZINC000638887689 353049643 /nfs/dbraw/zinc/04/96/43/353049643.db2.gz MKGWXMFDKDJXCP-WPRPVWTQSA-N 1 0 249.314 1.219 10 0 BDAERO Cc1cccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000638889086 353050809 /nfs/dbraw/zinc/05/08/09/353050809.db2.gz CRBFLKKSTFPCFU-QWRGUYRKSA-N 1 0 248.326 1.367 10 0 BDAERO C[C@H]1CN(C(=O)C2CCCCC2)C[C@@H]1C[NH3+] ZINC000638883984 353050996 /nfs/dbraw/zinc/05/09/96/353050996.db2.gz DDLMHBZZFMSPSA-JQWIXIFHSA-N 1 0 224.348 1.620 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000638884779 353051899 /nfs/dbraw/zinc/05/18/99/353051899.db2.gz JSMKGUBYLDQOFJ-ZYHUDNBSSA-N 1 0 218.300 1.353 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000638884778 353052023 /nfs/dbraw/zinc/05/20/23/353052023.db2.gz JSMKGUBYLDQOFJ-PWSUYJOCSA-N 1 0 218.300 1.353 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1C[NH3+] ZINC000638886317 353053391 /nfs/dbraw/zinc/05/33/91/353053391.db2.gz QDXCWWPNIUNSRK-NXEZZACHSA-N 1 0 236.290 1.493 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CC[N@H+]1[C@H]1CCS[C@H]1C ZINC000307128791 353056582 /nfs/dbraw/zinc/05/65/82/353056582.db2.gz DMLJYOZOMSHUOH-KATARQTJSA-N 1 0 200.351 1.302 10 0 BDAERO Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638889596 353057763 /nfs/dbraw/zinc/05/77/63/353057763.db2.gz CFQWJJVFORGUIZ-PWSUYJOCSA-N 1 0 233.315 1.057 10 0 BDAERO CC1CCC(C[NH2+]Cc2ncn(C)n2)CC1 ZINC000092852070 538107868 /nfs/dbraw/zinc/10/78/68/538107868.db2.gz APPLVSFQFBDYCC-UHFFFAOYSA-N 1 0 222.336 1.731 10 0 BDAERO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC2(C1)OCCO2 ZINC000307716370 353107819 /nfs/dbraw/zinc/10/78/19/353107819.db2.gz HULIOYUMUURYCQ-DCAQKATOSA-N 1 0 243.372 1.766 10 0 BDAERO C[C@H]1SCC[C@H]1[NH2+]CC1(C)OCCO1 ZINC000307707857 353096257 /nfs/dbraw/zinc/09/62/57/353096257.db2.gz ZXHDGUZPOOFLCU-RKDXNWHRSA-N 1 0 217.334 1.233 10 0 BDAERO CC(C)n1nccc1[C@H](C[NH3+])C1(CO)CCC1 ZINC000536953842 323962038 /nfs/dbraw/zinc/96/20/38/323962038.db2.gz KXPTXQGQICEIIL-NSHDSACASA-N 1 0 237.347 1.669 10 0 BDAERO CN(c1c[nH+]ccc1N)[C@H]1CCSC1 ZINC000307732424 353121363 /nfs/dbraw/zinc/12/13/63/353121363.db2.gz PQCHPPCEIQOETQ-QMMMGPOBSA-N 1 0 209.318 1.606 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]([S@@](=O)c2cccs2)C1 ZINC000218775088 353158364 /nfs/dbraw/zinc/15/83/64/353158364.db2.gz NWYSHBXTKHBCCS-OTPXZMOZSA-N 1 0 215.343 1.736 10 0 BDAERO CC(C)NC(=[NH2+])[C@H]1CSCCN1C ZINC000232640129 353150762 /nfs/dbraw/zinc/15/07/62/353150762.db2.gz SJTAOGHGRQTXLD-MRVPVSSYSA-N 1 0 201.339 1.009 10 0 BDAERO [NH3+][C@@]1(c2ccc(F)cc2Cl)C[C@@H](O)C1 ZINC000536957213 323967855 /nfs/dbraw/zinc/96/78/55/323967855.db2.gz CPNQCWRNZKZOBO-WKFQBHICSA-N 1 0 215.655 1.788 10 0 BDAERO CC1(C)OC[C@H]([C@H]2CCSC2)[C@H]1[NH3+] ZINC000405283865 353157748 /nfs/dbraw/zinc/15/77/48/353157748.db2.gz VCQVJOORXAVQNU-DJLDLDEBSA-N 1 0 201.335 1.492 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@]12C[C@H]1CCCC2 ZINC000638972412 353177518 /nfs/dbraw/zinc/17/75/18/353177518.db2.gz HCTYWGJWWYHGEX-NQBHXWOUSA-N 1 0 224.348 1.809 10 0 BDAERO FC(F)Cn1nccc1[C@@H]1CCC[NH2+]1 ZINC000012397608 180905500 /nfs/dbraw/zinc/90/55/00/180905500.db2.gz QWAQNUHFLQJZCT-ZETCQYMHSA-N 1 0 201.220 1.573 10 0 BDAERO C[C@@H]1CC[C@H](CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)O1 ZINC000188550645 353253453 /nfs/dbraw/zinc/25/34/53/353253453.db2.gz UJHTXHXVXSYJJP-RFQIPJPRSA-N 1 0 238.375 1.722 10 0 BDAERO [NH3+]CC[C@@H](O)c1nc(Br)cs1 ZINC000127832663 353274400 /nfs/dbraw/zinc/27/44/00/353274400.db2.gz VQGQQIZUZUQPEV-SCSAIBSYSA-N 1 0 237.122 1.288 10 0 BDAERO Cn1ncnc1S[C@@H]1CCCC[C@H]1[NH3+] ZINC000128090533 353282608 /nfs/dbraw/zinc/28/26/08/353282608.db2.gz MVXAGYDEXQPULH-HTQZYQBOSA-N 1 0 212.322 1.177 10 0 BDAERO C=Cn1cc(C[NH2+]CCn2cc(C)cn2)cn1 ZINC000194298951 188258528 /nfs/dbraw/zinc/25/85/28/188258528.db2.gz PREMHODOEVFQKM-UHFFFAOYSA-N 1 0 231.303 1.278 10 0 BDAERO COC[C@H](C)[N@@H+]1C[C@@H](C)[NH2+]CC[C@H]1C ZINC000128393222 353290491 /nfs/dbraw/zinc/29/04/91/353290491.db2.gz XARJPOALGRMONI-MXWKQRLJSA-N 1 0 200.326 1.094 10 0 BDAERO CC(C)[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000375839893 188251619 /nfs/dbraw/zinc/25/16/19/188251619.db2.gz JUWXEGFOQLUDBK-WDEREUQCSA-N 1 0 207.321 1.832 10 0 BDAERO NCC(=O)c1ccccc1OC(F)F ZINC000038136793 188254648 /nfs/dbraw/zinc/25/46/48/188254648.db2.gz MESVXKMHBODRAI-UHFFFAOYSA-N 1 0 201.172 1.429 10 0 BDAERO Cc1nccc(CNCc2cccnc2)n1 ZINC000037997768 188255274 /nfs/dbraw/zinc/25/52/74/188255274.db2.gz YJHOVCZYAWEDFN-UHFFFAOYSA-N 1 0 214.272 1.470 10 0 BDAERO CC(C)([NH3+])C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000040921402 188256261 /nfs/dbraw/zinc/25/62/61/188256261.db2.gz BGXHYLDAZHIPDB-UHFFFAOYSA-N 1 0 244.298 1.548 10 0 BDAERO CC(C)(C)[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000343803876 188257638 /nfs/dbraw/zinc/25/76/38/188257638.db2.gz CPJRLMKXDUBYGR-AXFHLTTASA-N 1 0 211.349 1.981 10 0 BDAERO CC(=O)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC000036260887 188278538 /nfs/dbraw/zinc/27/85/38/188278538.db2.gz FHIMUCSOBCAYSB-LLVKDONJSA-N 1 0 210.321 1.577 10 0 BDAERO CC(C)COC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000036288186 188278586 /nfs/dbraw/zinc/27/85/86/188278586.db2.gz CFBHOQFVEBDEQX-VHSXEESVSA-N 1 0 212.293 1.073 10 0 BDAERO Cc1nn(Cc2cscn2)c(C)c1C[NH3+] ZINC000036868375 188278973 /nfs/dbraw/zinc/27/89/73/188278973.db2.gz DIJYXTPDAMALMO-UHFFFAOYSA-N 1 0 222.317 1.463 10 0 BDAERO Cc1cccc(S(=O)(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000011967440 188279413 /nfs/dbraw/zinc/27/94/13/188279413.db2.gz AYHNYBVWBYIGLT-LLVKDONJSA-N 1 0 239.340 1.521 10 0 BDAERO Cc1ccc(OCC[C@@H](C[NH3+])N(C)C)cc1 ZINC000019663674 188281573 /nfs/dbraw/zinc/28/15/73/188281573.db2.gz ZNMWEMCDPULQMN-LBPRGKRZSA-N 1 0 222.332 1.653 10 0 BDAERO CC[N@@H+]1CCC=C(c2csc(N)n2)C1 ZINC000026845072 188283395 /nfs/dbraw/zinc/28/33/95/188283395.db2.gz CSGZCYPSSIETMO-UHFFFAOYSA-N 1 0 209.318 1.834 10 0 BDAERO CCn1nc(C2=CCC[N@H+](C)C2)nc1C ZINC000036420689 188286177 /nfs/dbraw/zinc/28/61/77/188286177.db2.gz FGEUUVXYVMNCMR-UHFFFAOYSA-N 1 0 206.293 1.325 10 0 BDAERO CCCn1cccc1C(=O)NC1CC([NH3+])C1 ZINC000036855991 188286372 /nfs/dbraw/zinc/28/63/72/188286372.db2.gz SAWJOTNYGGZZTR-UHFFFAOYSA-N 1 0 221.304 1.118 10 0 BDAERO CN(C)c1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000037539586 188286941 /nfs/dbraw/zinc/28/69/41/188286941.db2.gz CIRYJOQFDBAINP-ZDUSSCGKSA-N 1 0 247.342 1.187 10 0 BDAERO CC(C)[C@H]([NH3+])[C@H](O)c1ccc(F)c(F)c1 ZINC000071519240 188288213 /nfs/dbraw/zinc/28/82/13/188288213.db2.gz QGCJHMBSJAFJOP-WDEREUQCSA-N 1 0 215.243 1.982 10 0 BDAERO COc1ccc([C@H](C[NH3+])N(C)C)cc1F ZINC000071518529 188288533 /nfs/dbraw/zinc/28/85/33/188288533.db2.gz VCQZQQFFIDVTTJ-JTQLQIEISA-N 1 0 212.268 1.396 10 0 BDAERO CC(=O)N1CCC([NH2+][C@@H](C)c2cc[nH]n2)CC1 ZINC000037908175 188289586 /nfs/dbraw/zinc/28/95/86/188289586.db2.gz SQSMLAKVGXBCRQ-VIFPVBQESA-N 1 0 236.319 1.071 10 0 BDAERO CC(C)=CC[NH+]1CCC(NCc2cn[nH]c2)CC1 ZINC000038006346 188289901 /nfs/dbraw/zinc/28/99/01/188289901.db2.gz ALMDOJBCSYYGDJ-UHFFFAOYSA-N 1 0 248.374 1.930 10 0 BDAERO C[C@H]1CSC[C@](C)(C[NH+](C)C)C1=O ZINC000039104990 188290819 /nfs/dbraw/zinc/29/08/19/188290819.db2.gz MGXGHHFGWDLUGY-WPRPVWTQSA-N 1 0 201.335 1.506 10 0 BDAERO CC(C)[C@@H]([NH3+])c1nc2c(s1)COCC2 ZINC000041059387 188292603 /nfs/dbraw/zinc/29/26/03/188292603.db2.gz YIEQHHYECPFGBG-SECBINFHSA-N 1 0 212.318 1.872 10 0 BDAERO Cc1nc(-c2nc[nH]n2)sc1[C@@H](C)[NH3+] ZINC000040993942 188292915 /nfs/dbraw/zinc/29/29/15/188292915.db2.gz NFEPUCGEEIUZHT-SCSAIBSYSA-N 1 0 209.278 1.256 10 0 BDAERO CC(C)[C@@H]([NH3+])c1noc(C(F)(F)F)n1 ZINC000041049610 188292995 /nfs/dbraw/zinc/29/29/95/188292995.db2.gz NMHKNWDPTVEUKJ-SCSAIBSYSA-N 1 0 209.171 1.744 10 0 BDAERO CC(C)C[C@@H](O)[C@H]([NH3+])Cc1ccccc1 ZINC000082377654 188293439 /nfs/dbraw/zinc/29/34/39/188293439.db2.gz KVYTXDWCOOJEQH-CHWSQXEVSA-N 1 0 207.317 1.963 10 0 BDAERO CC(C)C[C@H]1Nc2cc[nH+]cc2NC1=O ZINC000082379572 188294159 /nfs/dbraw/zinc/29/41/59/188294159.db2.gz QBBYEOBBSDUFSI-SECBINFHSA-N 1 0 205.261 1.860 10 0 BDAERO COc1ccc(Cl)c(N2CC[C@H]([NH3+])C2)c1 ZINC000043317979 188295227 /nfs/dbraw/zinc/29/52/27/188295227.db2.gz DQZHIWLWJGCUNR-QMMMGPOBSA-N 1 0 226.707 1.886 10 0 BDAERO CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000083037107 188295310 /nfs/dbraw/zinc/29/53/10/188295310.db2.gz LNKFRYLETBQMHR-NWDGAFQWSA-N 1 0 222.263 1.099 10 0 BDAERO Cc1cc(N)n(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000043664698 188295619 /nfs/dbraw/zinc/29/56/19/188295619.db2.gz VQQBVMXYPASVOK-ZACCUICWSA-N 1 0 220.320 1.571 10 0 BDAERO CC[C@@H]1CN(Cc2ccccn2)CC[NH2+]1 ZINC000082925156 188296023 /nfs/dbraw/zinc/29/60/23/188296023.db2.gz GHPMWOGCLXSGEN-LLVKDONJSA-N 1 0 205.305 1.265 10 0 BDAERO CC(C)(C[NH2+]Cc1ccc[nH]1)N1CCOCC1 ZINC000048436292 188297804 /nfs/dbraw/zinc/29/78/04/188297804.db2.gz OFCXGJYYXWLUTH-UHFFFAOYSA-N 1 0 237.347 1.215 10 0 BDAERO Cc1nccn1CC[NH2+][C@H](C)CN1CCCC1 ZINC000049330437 188298403 /nfs/dbraw/zinc/29/84/03/188298403.db2.gz IKCVBAYENFLBCY-GFCCVEGCSA-N 1 0 236.363 1.265 10 0 BDAERO COc1ncc(C)c([C@H]2CCC[NH2+]C2)n1 ZINC000049587271 188298808 /nfs/dbraw/zinc/29/88/08/188298808.db2.gz KGTJHUUUIJSMEA-VIFPVBQESA-N 1 0 207.277 1.261 10 0 BDAERO CCOC(=O)[C@@H](C)N1Cc2ccccc2C1=[NH2+] ZINC000049373946 188299157 /nfs/dbraw/zinc/29/91/57/188299157.db2.gz OLKLDNOMUXNNQJ-SECBINFHSA-N 1 0 232.283 1.779 10 0 BDAERO CC1(C)Cc2nc([C@H]3CCOC3)ncc2[C@H]([NH3+])C1 ZINC000051691520 188299531 /nfs/dbraw/zinc/29/95/31/188299531.db2.gz CVGNGJVGXOXGSA-GXSJLCMTSA-N 1 0 247.342 1.953 10 0 BDAERO CC(=O)Nc1ccc(NC(=[NH2+])NC2CC2)cc1 ZINC000052069112 188299793 /nfs/dbraw/zinc/29/97/93/188299793.db2.gz VGAGRBLOWABJGP-UHFFFAOYSA-N 1 0 232.287 1.744 10 0 BDAERO CC(=O)Nc1cccc(NC(=[NH2+])NC2CC2)c1 ZINC000052069577 188299968 /nfs/dbraw/zinc/29/99/68/188299968.db2.gz DZOZDEDCSGQATC-UHFFFAOYSA-N 1 0 232.287 1.744 10 0 BDAERO C([NH2+]C1CC1)[C@@H]1CCCCN1C[C@@H]1CCOC1 ZINC000053652304 188300213 /nfs/dbraw/zinc/30/02/13/188300213.db2.gz XDBODELKEKINSL-JSGCOSHPSA-N 1 0 238.375 1.629 10 0 BDAERO CN(c1ccc(N)nc1)[C@@H]1CCC[N@H+](C)C1 ZINC000053205893 188300505 /nfs/dbraw/zinc/30/05/05/188300505.db2.gz GCCVEFIRGXKBCH-LLVKDONJSA-N 1 0 220.320 1.194 10 0 BDAERO CC(C)Cn1cnnc1C[C@@H]1CCC[NH2+]C1 ZINC000054526112 188300542 /nfs/dbraw/zinc/30/05/42/188300542.db2.gz FBQKVBPRKYGRQI-NSHDSACASA-N 1 0 222.336 1.476 10 0 BDAERO CC(C)(C)[S@](=O)C1CCC([NH3+])CC1 ZINC000055144832 188300585 /nfs/dbraw/zinc/30/05/85/188300585.db2.gz ICVKYXUTGHQPLX-RPTIHFLNSA-N 1 0 203.351 1.804 10 0 BDAERO CC[C@H](CC[NH3+])NC(=O)c1ccc2c(c1)CCO2 ZINC000054161890 188300602 /nfs/dbraw/zinc/30/06/02/188300602.db2.gz QTMLLOHGVQCTJS-GFCCVEGCSA-N 1 0 248.326 1.479 10 0 BDAERO CC(C)COC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC000104201107 188300617 /nfs/dbraw/zinc/30/06/17/188300617.db2.gz PNLLIIRAQBOBFV-ZDUSSCGKSA-N 1 0 245.363 1.036 10 0 BDAERO CCCn1ccnc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000061880975 188302167 /nfs/dbraw/zinc/30/21/67/188302167.db2.gz BRGNBDCHIXVDJQ-NWDGAFQWSA-N 1 0 237.347 1.686 10 0 BDAERO CCCn1ccnc1CN[C@@H](C)CC[NH+](C)C ZINC000061880876 188302636 /nfs/dbraw/zinc/30/26/36/188302636.db2.gz BNXJGVPDHVHZLN-LBPRGKRZSA-N 1 0 238.379 1.723 10 0 BDAERO CC(C)CNC(=O)[C@H](CC[NH3+])c1ccccn1 ZINC000076618019 188309974 /nfs/dbraw/zinc/30/99/74/188309974.db2.gz LRMJMIZDDUEIDK-LLVKDONJSA-N 1 0 235.331 1.286 10 0 BDAERO CCCOc1cc(NCCC[NH+](C)C)ncn1 ZINC000082482310 188313011 /nfs/dbraw/zinc/31/30/11/188313011.db2.gz HNSXNDXNKGTXMJ-UHFFFAOYSA-N 1 0 238.335 1.629 10 0 BDAERO COc1cc(OC)cc(-c2nnc([C@H](C)[NH3+])[nH]2)c1 ZINC000082752526 188314519 /nfs/dbraw/zinc/31/45/19/188314519.db2.gz AKLHXFIYIASSRO-ZETCQYMHSA-N 1 0 248.286 1.509 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCc1ccccc1F ZINC000083366119 188316245 /nfs/dbraw/zinc/31/62/45/188316245.db2.gz WQGPSBCUHXHWGB-NSHDSACASA-N 1 0 238.306 1.815 10 0 BDAERO CC(C)[C@H](C)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166165 188324076 /nfs/dbraw/zinc/32/40/76/188324076.db2.gz JLARGBPXLGDCOC-QWRGUYRKSA-N 1 0 212.337 1.631 10 0 BDAERO C[C@H](C[NH2+][C@H](C)c1cccnc1)N1CCOCC1 ZINC000092737785 188318665 /nfs/dbraw/zinc/31/86/65/188318665.db2.gz XDXFEFIKOYJFQM-CHWSQXEVSA-N 1 0 249.358 1.453 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](C[NH3+])C1 ZINC000091692680 188318772 /nfs/dbraw/zinc/31/87/72/188318772.db2.gz RHXUKFGULJLRIL-IUCAKERBSA-N 1 0 232.299 1.540 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccccc1 ZINC000104222103 188324324 /nfs/dbraw/zinc/32/43/24/188324324.db2.gz PWGJAXSQTYVKMC-WCQYABFASA-N 1 0 232.327 1.201 10 0 BDAERO CN(C)c1[nH]c(N)cc1Br ZINC000106963195 188324700 /nfs/dbraw/zinc/32/47/00/188324700.db2.gz AZRWREFICKAUMC-UHFFFAOYSA-N 1 0 204.071 1.425 10 0 BDAERO [NH3+]Cc1ccccc1Oc1ccncn1 ZINC000043558642 188326044 /nfs/dbraw/zinc/32/60/44/188326044.db2.gz GHWLRIVLGJFRLI-UHFFFAOYSA-N 1 0 201.229 1.728 10 0 BDAERO Cc1cc2c(c(C)c1)S(=O)(=O)[C@@H](C)[C@H]2[NH3+] ZINC000043641064 188326245 /nfs/dbraw/zinc/32/62/45/188326245.db2.gz SNJJSWIEZOJNHN-WCBMZHEXSA-N 1 0 225.313 1.479 10 0 BDAERO C[NH2+][C@@H]1CCN(CCC2CCCC2)C1=O ZINC000049648873 188327012 /nfs/dbraw/zinc/32/70/12/188327012.db2.gz JCAFQBUVFIMEIB-LLVKDONJSA-N 1 0 210.321 1.387 10 0 BDAERO [NH3+][C@@H](C(=O)N1C[C@@H]2CC[C@H]1C2)c1ccccc1 ZINC000049716693 188327060 /nfs/dbraw/zinc/32/70/60/188327060.db2.gz YVEFQVBRCGODBB-KGYLQXTDSA-N 1 0 230.311 1.697 10 0 BDAERO Cc1cccnc1NC1CC[NH+](C)CC1 ZINC000051040903 188330349 /nfs/dbraw/zinc/33/03/49/188330349.db2.gz JENYKMCIDGAMFC-UHFFFAOYSA-N 1 0 205.305 1.896 10 0 BDAERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000336741166 188340568 /nfs/dbraw/zinc/34/05/68/188340568.db2.gz MYSVOKNNPBAYQD-SKDRFNHKSA-N 1 0 225.288 1.579 10 0 BDAERO Cc1cc(N)c[nH+]c1NC1CCOCC1 ZINC000052812859 188334104 /nfs/dbraw/zinc/33/41/04/188334104.db2.gz VNKIDFKFRQVDNR-UHFFFAOYSA-N 1 0 207.277 1.563 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])C(=O)NCCc1ccccn1 ZINC000161105889 188335093 /nfs/dbraw/zinc/33/50/93/188335093.db2.gz KXYNXVQMSAITSG-NSHDSACASA-N 1 0 235.331 1.114 10 0 BDAERO C(SC1=NCCS1)[C@H]1CCC[NH2+]1 ZINC000169724923 188338454 /nfs/dbraw/zinc/33/84/54/188338454.db2.gz PNEMWHYGZRYETP-SSDOTTSWSA-N 1 0 202.348 1.574 10 0 BDAERO CC(C)(O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336672640 188340846 /nfs/dbraw/zinc/34/08/46/188340846.db2.gz APZSYDPFDHSWFB-VHSXEESVSA-N 1 0 203.301 1.875 10 0 BDAERO CCCC[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000308844800 188341153 /nfs/dbraw/zinc/34/11/53/188341153.db2.gz OVCFSXHMTALPTR-GARJFASQSA-N 1 0 212.337 1.761 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H]1C1CC1 ZINC000082372548 188350959 /nfs/dbraw/zinc/35/09/59/188350959.db2.gz DHFVAVFRMCNCAG-BDAKNGLRSA-N 1 0 212.293 1.343 10 0 BDAERO Cc1nccn1-c1ccccc1C(N)=[NH2+] ZINC000020076215 188352397 /nfs/dbraw/zinc/35/23/97/188352397.db2.gz WIPRNBWMFDNVGM-UHFFFAOYSA-N 1 0 200.245 1.465 10 0 BDAERO CC(C)(C)c1ccc(C[C@@H]([NH3+])CO)cc1 ZINC000020268054 188353075 /nfs/dbraw/zinc/35/30/75/188353075.db2.gz YEGLJTBUJZHJCW-GFCCVEGCSA-N 1 0 207.317 1.846 10 0 BDAERO COc1ccc(OCCOCC[NH3+])cc1 ZINC000020221436 188353525 /nfs/dbraw/zinc/35/35/25/188353525.db2.gz PHDZSPZWWYXLOQ-UHFFFAOYSA-N 1 0 211.261 1.049 10 0 BDAERO CC(C)(C)[Si](C)(C)[NH+]1CCNCC1 ZINC000196292400 188353839 /nfs/dbraw/zinc/35/38/39/188353839.db2.gz SUQBVXFGGATXQO-UHFFFAOYSA-N 1 0 200.402 1.897 10 0 BDAERO CN(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000111366296 188353860 /nfs/dbraw/zinc/35/38/60/188353860.db2.gz MSNPAUBGXDDQST-CYBMUJFWSA-N 1 0 247.342 1.316 10 0 BDAERO Cc1cccc(Cc2nnc(C[NH3+])[nH]2)c1 ZINC000061843864 188360055 /nfs/dbraw/zinc/36/00/55/188360055.db2.gz GVTMKCBWSVZUHZ-UHFFFAOYSA-N 1 0 202.261 1.163 10 0 BDAERO CC(C)[C@H]1CC[C@H]([NH3+])[C@H](N2CCCOCC2)C1 ZINC000061917543 188360074 /nfs/dbraw/zinc/36/00/74/188360074.db2.gz CMYZVSWMWOXTGM-MELADBBJSA-N 1 0 240.391 1.861 10 0 BDAERO [NH2+]=C(NC1CC1)c1ccc(Br)cn1 ZINC000133376501 353416593 /nfs/dbraw/zinc/41/65/93/353416593.db2.gz YHAQXOXQMHAEBZ-UHFFFAOYSA-N 1 0 240.104 1.921 10 0 BDAERO CC/C=C/CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000184531880 535231762 /nfs/dbraw/zinc/23/17/62/535231762.db2.gz UUTXCTLLDXXACI-URWSZGRFSA-N 1 0 226.364 1.605 10 0 BDAERO CN1CC[C@H]([NH3+])[C@@H]1c1ncc(Cl)s1 ZINC000223270980 353595521 /nfs/dbraw/zinc/59/55/21/353595521.db2.gz BZVXVGIARFCDDF-CAHLUQPWSA-N 1 0 217.725 1.500 10 0 BDAERO [NH3+]C[C@@]1([C@H]2CCSC2)CCCCO1 ZINC000405511751 353726984 /nfs/dbraw/zinc/72/69/84/353726984.db2.gz TUDOQDLKGCPQRL-VHSXEESVSA-N 1 0 201.335 1.638 10 0 BDAERO Fc1ccccc1OCC[NH2+]C[C@H]1CCCO1 ZINC000041281771 181014161 /nfs/dbraw/zinc/01/41/61/181014161.db2.gz RVYIRZHYYJQQNZ-LLVKDONJSA-N 1 0 239.290 1.973 10 0 BDAERO Fc1cnc(OCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095072035 181018459 /nfs/dbraw/zinc/01/84/59/181018459.db2.gz UZKJXJVGQOKBLR-JTQLQIEISA-N 1 0 225.267 1.527 10 0 BDAERO CC[C@@H]1CS[C@]2(CO[C@H](C)[C@@H]2C)[NH2+]1 ZINC000405559684 353867845 /nfs/dbraw/zinc/86/78/45/353867845.db2.gz XCHVWECVKHDRRA-JLIMGVALSA-N 1 0 201.335 1.853 10 0 BDAERO Cl/C=C\C[NH2+][C@H]1CN2CCC1CC2 ZINC000308103391 353881941 /nfs/dbraw/zinc/88/19/41/353881941.db2.gz JJTBVMIGWGSAPT-GZXOQBQISA-N 1 0 200.713 1.423 10 0 BDAERO C/C(=C/Cl)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000308109165 353887556 /nfs/dbraw/zinc/88/75/56/353887556.db2.gz KNNXUGIWTZISIY-BBYBGLFNSA-N 1 0 202.729 1.811 10 0 BDAERO C[C@H]1CN(Cc2ccns2)C[C@@H]1C[NH3+] ZINC000630078809 363283574 /nfs/dbraw/zinc/28/35/74/363283574.db2.gz VRUQBEIOUIAJGQ-IUCAKERBSA-N 1 0 211.334 1.170 10 0 BDAERO CO[C@H]1CN(Cc2ccns2)[C@@](C)(C[NH3+])C1 ZINC000630079791 363288457 /nfs/dbraw/zinc/28/84/57/363288457.db2.gz ZSUWUZDRTMNNBV-MWLCHTKSSA-N 1 0 241.360 1.081 10 0 BDAERO COC(C)(C)[C@H](C)[N@@H+]1CCN[C@H](C)C1 ZINC000301024880 363337296 /nfs/dbraw/zinc/33/72/96/363337296.db2.gz RJUSMLBEDJADJO-ZJUUUORDSA-N 1 0 200.326 1.094 10 0 BDAERO C[C@@H]1OCC[C@]1(C)[NH2+][C@@H]1CCSC1 ZINC000308136258 354202085 /nfs/dbraw/zinc/20/20/85/354202085.db2.gz OKAXHNSCRLDXGK-AEJSXWLSSA-N 1 0 201.335 1.649 10 0 BDAERO CCOCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113227078 354271553 /nfs/dbraw/zinc/27/15/53/354271553.db2.gz LCDHARDNRXGMRX-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2nc(C)cc(C)n2)C1 ZINC000040503184 358493873 /nfs/dbraw/zinc/49/38/73/358493873.db2.gz VHAHMUWMZJPQDH-GFCCVEGCSA-N 1 0 234.347 1.990 10 0 BDAERO Cc1cc(Br)cnc1NCCC[NH3+] ZINC000034287973 355310981 /nfs/dbraw/zinc/31/09/81/355310981.db2.gz FZBIPRAFLGSQNV-UHFFFAOYSA-N 1 0 244.136 1.913 10 0 BDAERO N[NH+]=C(N)Cc1ccc(C(F)(F)F)cc1 ZINC000060094049 181185566 /nfs/dbraw/zinc/18/55/66/181185566.db2.gz DMXFUTXZELOVJJ-UHFFFAOYSA-N 1 0 217.194 1.688 10 0 BDAERO CC[C@H]1C[NH2+]CC[C@@]12NCCCS2 ZINC000229823269 355419634 /nfs/dbraw/zinc/41/96/34/355419634.db2.gz PIEFSPJPZJWQET-UWVGGRQHSA-N 1 0 200.351 1.429 10 0 BDAERO NC(=[NH2+])SCC(=O)Nc1ccc2c(c1)CCC2 ZINC000095082558 181190848 /nfs/dbraw/zinc/19/08/48/181190848.db2.gz UHJPDSYAUFVHSC-UHFFFAOYSA-N 1 0 249.339 1.740 10 0 BDAERO NC(N)=[NH+]N1CCC(c2ccccc2)CC1 ZINC000033824285 181191386 /nfs/dbraw/zinc/19/13/86/181191386.db2.gz CQIHNNLKNLZFPI-UHFFFAOYSA-N 1 0 218.304 1.264 10 0 BDAERO NC(=[NH2+])SC[C@@H]1CN=C(N2CCCC2)S1 ZINC000004110866 181191955 /nfs/dbraw/zinc/19/19/55/181191955.db2.gz SQWIQKXKQHCUOP-ZETCQYMHSA-N 1 0 244.389 1.180 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cnn1C ZINC000414517278 191525799 /nfs/dbraw/zinc/52/57/99/191525799.db2.gz QLIXXRNGROYCRS-WCQGTBRESA-N 1 0 237.347 1.632 10 0 BDAERO NC(=[NH2+])[C@H](O)c1ccccc1Br ZINC000033805018 181192917 /nfs/dbraw/zinc/19/29/17/181192917.db2.gz BTHUFTNYVHCVAF-SSDOTTSWSA-N 1 0 229.077 1.418 10 0 BDAERO C[C@@H]1C[NH2+][C@]2(CCCN(C)C2)SC1 ZINC000134357784 355502142 /nfs/dbraw/zinc/50/21/42/355502142.db2.gz PJHCLBWVNPFWRJ-NXEZZACHSA-N 1 0 200.351 1.381 10 0 BDAERO NC(=[NH2+])c1ccc(N2CCCC2)c(F)c1 ZINC000036887721 181195064 /nfs/dbraw/zinc/19/50/64/181195064.db2.gz DUHGIYRYXSUCKH-UHFFFAOYSA-N 1 0 207.252 1.710 10 0 BDAERO NC(=[NH2+])c1ccccc1-n1nnc2ccccc21 ZINC000034973569 181195871 /nfs/dbraw/zinc/19/58/71/181195871.db2.gz WKJMQDGOOVGQLL-UHFFFAOYSA-N 1 0 237.266 1.705 10 0 BDAERO NC(=[NH2+])c1ccccc1Sc1nc[nH]n1 ZINC000020076976 181196096 /nfs/dbraw/zinc/19/60/96/181196096.db2.gz YROUZVNXQLHLKY-UHFFFAOYSA-N 1 0 219.273 1.240 10 0 BDAERO NC(=[NH2+])c1nccn1Cc1ccccc1 ZINC000034597129 181197116 /nfs/dbraw/zinc/19/71/16/181197116.db2.gz FYDUTDCZGJRMCX-UHFFFAOYSA-N 1 0 200.245 1.215 10 0 BDAERO NC(=[NH2+])c1ccnc(OC[C@H]2CCCCO2)c1 ZINC000019428618 181197911 /nfs/dbraw/zinc/19/79/11/181197911.db2.gz WJXPPNYMUTZNFB-SNVBAGLBSA-N 1 0 235.287 1.314 10 0 BDAERO [NH2+]=C(Nc1ccccc1)N1CCN(C2CC2)CC1 ZINC000052045935 181200142 /nfs/dbraw/zinc/20/01/42/181200142.db2.gz QXXAIWYWPLZBIR-UHFFFAOYSA-N 1 0 244.342 1.813 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000389069141 355606105 /nfs/dbraw/zinc/60/61/05/355606105.db2.gz LWCMFWQSUDNILN-UPJWGTAASA-N 1 0 226.364 1.485 10 0 BDAERO c1cc(NC[C@H]2CCC[NH2+]2)nc(C2CC2)n1 ZINC000212229133 355579425 /nfs/dbraw/zinc/57/94/25/355579425.db2.gz KEKDLBPEBHFREI-SNVBAGLBSA-N 1 0 218.304 1.518 10 0 BDAERO NC1=[NH+]N(c2ccccc2)N(c2ccccc2)N1 ZINC000071790984 181207904 /nfs/dbraw/zinc/20/79/04/181207904.db2.gz MKRTWAXQZKPUCP-UHFFFAOYSA-N 1 0 239.282 1.872 10 0 BDAERO [NH2+]=C1c2ccccc2CN1C[C@@H]1COCCO1 ZINC000038062697 181208351 /nfs/dbraw/zinc/20/83/51/181208351.db2.gz KSQIFQRCDGTTBM-LLVKDONJSA-N 1 0 232.283 1.243 10 0 BDAERO CC[C@H](C[NH3+])N1C[C@@H](C)OC(C)(C)C1 ZINC000223362592 355773908 /nfs/dbraw/zinc/77/39/08/355773908.db2.gz QCHAGPQWLKQHFT-NXEZZACHSA-N 1 0 200.326 1.223 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)C1 ZINC000389139830 355730608 /nfs/dbraw/zinc/73/06/08/355730608.db2.gz GUKJVMRTDQAHTR-GHMZBOCLSA-N 1 0 214.353 1.484 10 0 BDAERO C[C@H]([C@H](C)[NH3+])N1C[C@@H](C)OC(C)(C)C1 ZINC000223376087 355803806 /nfs/dbraw/zinc/80/38/06/355803806.db2.gz PVTYKQLPBOVJQQ-KXUCPTDWSA-N 1 0 200.326 1.221 10 0 BDAERO CC[C@H]1CN(c2ccncc2C#N)CC[C@H]1[NH3+] ZINC000398997910 355814513 /nfs/dbraw/zinc/81/45/13/355814513.db2.gz QNQDJZYPICAQMX-CMPLNLGQSA-N 1 0 230.315 1.517 10 0 BDAERO C[C@H]([NH3+])C(=O)Nc1cc(Cl)ccc1F ZINC000035185115 355875603 /nfs/dbraw/zinc/87/56/03/355875603.db2.gz GGECNWWVQMACKB-YFKPBYRVSA-N 1 0 216.643 1.765 10 0 BDAERO NC(=O)CC1CC[NH+](Cc2ccccc2N)CC1 ZINC000042427202 181219578 /nfs/dbraw/zinc/21/95/78/181219578.db2.gz ANQQTFGFAMWXRG-UHFFFAOYSA-N 1 0 247.342 1.356 10 0 BDAERO NC(=O)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000032758717 181224169 /nfs/dbraw/zinc/22/41/69/181224169.db2.gz IVKHMTKMMZHYLN-WDEREUQCSA-N 1 0 210.321 1.374 10 0 BDAERO NC(=O)CCCC[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037636503 181221889 /nfs/dbraw/zinc/22/18/89/181221889.db2.gz URUVJTYHGZXGRM-GFCCVEGCSA-N 1 0 248.326 1.667 10 0 BDAERO NC(=O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000007338701 181235602 /nfs/dbraw/zinc/23/56/02/181235602.db2.gz MDESJEHOCHYOSG-UHFFFAOYSA-N 1 0 208.305 1.030 10 0 BDAERO NC(=O)CCNC1=[NH+][C@@H](c2ccccc2)CS1 ZINC000063001948 181225530 /nfs/dbraw/zinc/22/55/30/181225530.db2.gz CISWAALHNZFAFN-SNVBAGLBSA-N 1 0 249.339 1.296 10 0 BDAERO NC(=O)CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000036747076 181225697 /nfs/dbraw/zinc/22/56/97/181225697.db2.gz CZDOFLRIOKHPTK-UHFFFAOYSA-N 1 0 246.232 1.670 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccccc1OC(F)(F)F ZINC000020578121 181245470 /nfs/dbraw/zinc/24/54/70/181245470.db2.gz OONSPSFLCJYUKI-ZETCQYMHSA-N 1 0 248.204 1.460 10 0 BDAERO CCCN(c1ncnc2[nH]ccc21)[C@H]1CC[NH2+]C1 ZINC000420219081 192194475 /nfs/dbraw/zinc/19/44/75/192194475.db2.gz OIFOETQNFRMIIM-JTQLQIEISA-N 1 0 245.330 1.536 10 0 BDAERO Cc1nc2ccccc2nc1NC1C[NH2+]C1 ZINC000085256770 356299868 /nfs/dbraw/zinc/29/98/68/356299868.db2.gz QYMIVSQKIWLQOU-UHFFFAOYSA-N 1 0 214.272 1.322 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCC1)[C@@H]1CC=CCC1 ZINC000037968986 181264482 /nfs/dbraw/zinc/26/44/82/181264482.db2.gz MBJRCAZVXLPKMR-PWSUYJOCSA-N 1 0 222.332 1.729 10 0 BDAERO NC(=O)[C@@]1([NH2+]C2CCCCC2)CCSC1 ZINC000037969641 181275201 /nfs/dbraw/zinc/27/52/01/181275201.db2.gz RCXDGUBSITXTFA-LLVKDONJSA-N 1 0 228.361 1.270 10 0 BDAERO Cc1nsc(N[C@@](C)(C[NH3+])C2CC2)n1 ZINC000168584224 356426756 /nfs/dbraw/zinc/42/67/56/356426756.db2.gz WGAMUYZTFPGMCW-VIFPVBQESA-N 1 0 212.322 1.386 10 0 BDAERO NC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CC1 ZINC000038000887 181277409 /nfs/dbraw/zinc/27/74/09/181277409.db2.gz SRRMTZWLTNOFGF-LBPRGKRZSA-N 1 0 218.300 1.083 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000145898450 356483451 /nfs/dbraw/zinc/48/34/51/356483451.db2.gz GAUAJZGRSIDKSX-ZJUUUORDSA-N 1 0 244.294 1.553 10 0 BDAERO C[NH2+]CC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000142032964 356468598 /nfs/dbraw/zinc/46/85/98/356468598.db2.gz HHGZTIZUMKCUGM-UHFFFAOYSA-N 1 0 225.380 1.156 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCC1)c1cccc(F)c1 ZINC000037968675 181278139 /nfs/dbraw/zinc/27/81/39/181278139.db2.gz ZHCAQPJTNWORDF-GFCCVEGCSA-N 1 0 236.290 1.884 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCC1)c1cccnc1 ZINC000037968955 181278235 /nfs/dbraw/zinc/27/82/35/181278235.db2.gz QPXCUSCSYCMKGE-LLVKDONJSA-N 1 0 219.288 1.140 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CC1)c1cccc(F)c1 ZINC000037870406 181278299 /nfs/dbraw/zinc/27/82/99/181278299.db2.gz DNDAVQKDLIOGGL-SNVBAGLBSA-N 1 0 208.236 1.104 10 0 BDAERO NC(=O)[C@]1([NH2+]Cc2ccccc2)CCSC1 ZINC000037941216 181284675 /nfs/dbraw/zinc/28/46/75/181284675.db2.gz VFHSYZWNXDLKGL-LBPRGKRZSA-N 1 0 236.340 1.137 10 0 BDAERO NC(=O)[C@]1([NH3+])CCc2cccc(Cl)c2C1 ZINC000038435883 181284822 /nfs/dbraw/zinc/28/48/22/181284822.db2.gz LXWLBLVBZVLAJV-NSHDSACASA-N 1 0 224.691 1.012 10 0 BDAERO NC(=O)c1c(Cl)cccc1O[C@H]1CC[NH2+]C1 ZINC000052908552 181286180 /nfs/dbraw/zinc/28/61/80/181286180.db2.gz HOPLDPIKMNYIEW-ZETCQYMHSA-N 1 0 240.690 1.180 10 0 BDAERO CC(C)n1ccnc1CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000336192994 134124155 /nfs/dbraw/zinc/12/41/55/134124155.db2.gz HPJGSGXIZRRSQN-NEPJUHHUSA-N 1 0 236.363 1.646 10 0 BDAERO Cc1c(C[N@H+]2C[C@@H](O)CC[C@@H]2C)cnn1C ZINC000421021211 192306114 /nfs/dbraw/zinc/30/61/14/192306114.db2.gz PIYXVWRHNOUHSJ-CABZTGNLSA-N 1 0 223.320 1.074 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000384320919 356592172 /nfs/dbraw/zinc/59/21/72/356592172.db2.gz VIKNSQWIBLSCDZ-GXFFZTMASA-N 1 0 243.310 1.885 10 0 BDAERO COC(=O)C(C)(C)Oc1ccc(CC[NH3+])cc1 ZINC000090609073 363515227 /nfs/dbraw/zinc/51/52/27/363515227.db2.gz ZHPJLBQLCHSICY-UHFFFAOYSA-N 1 0 237.299 1.518 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@@H]1C[NH3+] ZINC000630092526 363515742 /nfs/dbraw/zinc/51/57/42/363515742.db2.gz KSBHFCGTYOQNOV-WOPDTQHZSA-N 1 0 236.359 1.620 10 0 BDAERO CC(C)(C)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056941 538479443 /nfs/dbraw/zinc/47/94/43/538479443.db2.gz RXABRTOOXBHQDV-UHFFFAOYSA-N 1 0 245.388 1.732 10 0 BDAERO CCCn1cc(CN2CC[NH2+]C[C@@H]2C)c(C)n1 ZINC000675057637 538480164 /nfs/dbraw/zinc/48/01/64/538480164.db2.gz GMZVRNVVZYJXOU-NSHDSACASA-N 1 0 236.363 1.395 10 0 BDAERO CCC(=O)N1CCOc2ccccc2[C@@H]1C[NH3+] ZINC000675058093 538480829 /nfs/dbraw/zinc/48/08/29/538480829.db2.gz SBAODJGKIXDRLO-NSHDSACASA-N 1 0 234.299 1.317 10 0 BDAERO Cc1cc(Cl)ccc1C1([NH3+])CC(O)C1 ZINC000675058727 538482455 /nfs/dbraw/zinc/48/24/55/538482455.db2.gz VMBFCEXAHVMCDS-UHFFFAOYSA-N 1 0 211.692 1.957 10 0 BDAERO [NH3+]C[C@H]1CCO[C@H]1c1cnn(C2CC2)c1 ZINC000675058766 538482494 /nfs/dbraw/zinc/48/24/94/538482494.db2.gz WXJMPYPTOANARD-LDYMZIIASA-N 1 0 207.277 1.254 10 0 BDAERO C[C@H]1[NH2+]CC[C@@H]1OC(=O)c1ccccc1 ZINC000675058779 538482974 /nfs/dbraw/zinc/48/29/74/538482974.db2.gz XNEPWALWHOJHLN-KOLCDFICSA-N 1 0 205.257 1.594 10 0 BDAERO C[NH2+]Cc1csc(-c2ccnnc2)n1 ZINC000675051116 538473901 /nfs/dbraw/zinc/47/39/01/538473901.db2.gz LTCKKRTYBCSCSH-UHFFFAOYSA-N 1 0 206.274 1.320 10 0 BDAERO CC(C)CC(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051774 538475303 /nfs/dbraw/zinc/47/53/03/538475303.db2.gz SWPJJTBGFJNUSC-YPMHNXCESA-N 1 0 224.348 1.681 10 0 BDAERO Cc1ccoc1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000384402208 356640299 /nfs/dbraw/zinc/64/02/99/356640299.db2.gz CUXWJPNTZBDHFS-GFCCVEGCSA-N 1 0 238.331 1.134 10 0 BDAERO CCCC(=O)NC[C@]1(CCC)C[NH2+]CCO1 ZINC000675059545 538483989 /nfs/dbraw/zinc/48/39/89/538483989.db2.gz SBKNQTYOQSKXJF-LBPRGKRZSA-N 1 0 228.336 1.061 10 0 BDAERO CC(C)(C)OC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000675056133 538477670 /nfs/dbraw/zinc/47/76/70/538477670.db2.gz DCZMPKKLVDZTBO-QMMMGPOBSA-N 1 0 237.303 1.442 10 0 BDAERO CCC[C@@H](C)C(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056657 538478647 /nfs/dbraw/zinc/47/86/47/538478647.db2.gz NWBDZXQPRLGNTN-WOPDTQHZSA-N 1 0 224.348 1.633 10 0 BDAERO CCOc1ccc([C@H](C)[NH2+]CCOC)o1 ZINC000675056718 538478850 /nfs/dbraw/zinc/47/88/50/538478850.db2.gz OLQVAVBCWFGHBS-VIFPVBQESA-N 1 0 213.277 1.975 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056654 538478860 /nfs/dbraw/zinc/47/88/60/538478860.db2.gz NWBDZXQPRLGNTN-SRVKXCTJSA-N 1 0 224.348 1.633 10 0 BDAERO CC(C)C(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056652 538479036 /nfs/dbraw/zinc/47/90/36/538479036.db2.gz UUXPVLJDCAWGDJ-ZYHUDNBSSA-N 1 0 210.321 1.372 10 0 BDAERO CC(C)C(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675068823 538496815 /nfs/dbraw/zinc/49/68/15/538496815.db2.gz DVRHMCKXJYVBEO-DBIOUOCHSA-N 1 0 210.321 1.132 10 0 BDAERO CCC[C@H](C)C(=O)N1CCO[C@](CC)(C[NH3+])C1 ZINC000675059935 538485063 /nfs/dbraw/zinc/48/50/63/538485063.db2.gz YKGVRVNUTMLQSP-WCQYABFASA-N 1 0 242.363 1.389 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@]12C[C@@H]1CCC[NH2+]2 ZINC000675068467 538497099 /nfs/dbraw/zinc/49/70/99/538497099.db2.gz ABZVTSLWQYRORE-GVXVVHGQSA-N 1 0 239.363 1.472 10 0 BDAERO COc1cc2c(cc1F)C[C@@H]([C@@H](C)[NH3+])CO2 ZINC000675063649 538489977 /nfs/dbraw/zinc/48/99/77/538489977.db2.gz JFYOXHONGSDFLA-VXNVDRBHSA-N 1 0 225.263 1.733 10 0 BDAERO C[C@H]([NH3+])[C@@H]1COc2cc(F)c(F)cc2C1 ZINC000675063453 538490052 /nfs/dbraw/zinc/49/00/52/538490052.db2.gz FICNJGSPKCVRBZ-XPUUQOCRSA-N 1 0 213.227 1.863 10 0 BDAERO CC1(C(=O)NC[C@@H]2C[C@@H]3C[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000675069034 538497416 /nfs/dbraw/zinc/49/74/16/538497416.db2.gz GALGUAPSSYCIFN-CHWFTXMASA-N 1 0 222.332 1.276 10 0 BDAERO COc1ccc(-c2c(N)cnn2C)c(C[NH3+])c1 ZINC000675069958 538498923 /nfs/dbraw/zinc/49/89/23/538498923.db2.gz JUFVSSAZNIQGJC-UHFFFAOYSA-N 1 0 232.287 1.137 10 0 BDAERO O[C@@H]1C=C(C[C@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076619 538511779 /nfs/dbraw/zinc/51/17/79/538511779.db2.gz FEPHHOSVVIFSII-PSASIEDQSA-N 1 0 217.259 1.702 10 0 BDAERO CC[C@H](C)N1CC[NH+](CC(O)(CC)CC)CC1 ZINC000168036406 134155756 /nfs/dbraw/zinc/15/57/56/134155756.db2.gz RBDCDUMDECJLMR-ZDUSSCGKSA-N 1 0 242.407 1.954 10 0 BDAERO CCCNC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675070660 538500995 /nfs/dbraw/zinc/50/09/95/538500995.db2.gz REYPNDMLKDJSSM-VPOLOUISSA-N 1 0 225.336 1.069 10 0 BDAERO [NH3+]C[C@]12C[C@H]1CCCN2C(=O)C1CCC1 ZINC000675070627 538501235 /nfs/dbraw/zinc/50/12/35/538501235.db2.gz QTKSVUKYYSTFRV-ZYHUDNBSSA-N 1 0 208.305 1.126 10 0 BDAERO CC(C)(C)NC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675070675 538501263 /nfs/dbraw/zinc/50/12/63/538501263.db2.gz RKPGNNLQXZXVMC-DBIOUOCHSA-N 1 0 239.363 1.458 10 0 BDAERO CC(C)CNC(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675071002 538501528 /nfs/dbraw/zinc/50/15/28/538501528.db2.gz VGQNSROVPGUDFI-NOOOWODRSA-N 1 0 239.363 1.315 10 0 BDAERO CCOC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000675070420 538501607 /nfs/dbraw/zinc/50/16/07/538501607.db2.gz XYZCHGAAHVRESQ-VWYCJHECSA-N 1 0 227.304 1.097 10 0 BDAERO Cc1cc2c(cc1C)[C@@H](CO)[NH2+]CCO2 ZINC000675072621 538503492 /nfs/dbraw/zinc/50/34/92/538503492.db2.gz AWPFPQIFAASBRY-LLVKDONJSA-N 1 0 207.273 1.319 10 0 BDAERO CC[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000166160576 491100499 /nfs/dbraw/zinc/10/04/99/491100499.db2.gz NATXNKLQOBHHLK-GHMZBOCLSA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675072931 538504407 /nfs/dbraw/zinc/50/44/07/538504407.db2.gz DSMWOYJCNJACPX-DMDPSCGWSA-N 1 0 224.348 1.618 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675072933 538504451 /nfs/dbraw/zinc/50/44/51/538504451.db2.gz DSMWOYJCNJACPX-GVXVVHGQSA-N 1 0 224.348 1.618 10 0 BDAERO CSCC[C@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675069154 538497692 /nfs/dbraw/zinc/49/76/92/538497692.db2.gz WKYWAWDELYPUQT-SNVBAGLBSA-N 1 0 225.361 1.979 10 0 BDAERO COc1cc(F)cc2cc(C[NH3+])c(OC)nc21 ZINC000675069028 538497889 /nfs/dbraw/zinc/49/78/89/538497889.db2.gz ANRVANHVIXWIKJ-UHFFFAOYSA-N 1 0 236.246 1.850 10 0 BDAERO CC(C)CNC(=O)N1CCC[C@H]2C[C@]21C[NH3+] ZINC000675069091 538498728 /nfs/dbraw/zinc/49/87/28/538498728.db2.gz GKRLPWKWUHHKMY-JQWIXIFHSA-N 1 0 225.336 1.165 10 0 BDAERO O[C@H]1C=C(c2ccccc2Cl)C[NH2+]C1 ZINC000675078177 538514667 /nfs/dbraw/zinc/51/46/67/538514667.db2.gz WPURWTWLGYPZTL-VIFPVBQESA-N 1 0 209.676 1.688 10 0 BDAERO O[C@H]1C=C(c2sccc2Cl)C[NH2+]C1 ZINC000675078008 538515653 /nfs/dbraw/zinc/51/56/53/538515653.db2.gz UPBOYWMETQSMLD-ZETCQYMHSA-N 1 0 215.705 1.749 10 0 BDAERO [NH3+][C@H]1C=C(c2ccc(Cl)cc2F)CNC1 ZINC000675079350 538517936 /nfs/dbraw/zinc/51/79/36/538517936.db2.gz XVTBDVTVHHOGHL-VIFPVBQESA-N 1 0 226.682 1.793 10 0 BDAERO CSc1ccc(C2=C[C@H](N)C[NH2+]C2)cc1 ZINC000675079298 538518186 /nfs/dbraw/zinc/51/81/86/538518186.db2.gz XMSJJVCUMQNPFU-NSHDSACASA-N 1 0 220.341 1.722 10 0 BDAERO [NH3+]C1CC(Oc2ncc(F)cc2F)C1 ZINC000160383985 356696673 /nfs/dbraw/zinc/69/66/73/356696673.db2.gz IXCYCEPJRJNHKM-UHFFFAOYSA-N 1 0 200.188 1.228 10 0 BDAERO Cn1nc(C(C)(C)C)nc1C[C@H]1CC[NH2+]C1 ZINC000084381290 538532497 /nfs/dbraw/zinc/53/24/97/538532497.db2.gz AJTVVONXDKYCKE-SECBINFHSA-N 1 0 222.336 1.265 10 0 BDAERO C(CN1C[C@@H]2CCC[C@@H]2C1)[NH2+]CC1CC1 ZINC000126303569 538532980 /nfs/dbraw/zinc/53/29/80/538532980.db2.gz CLCUXYNUUPVWLA-BETUJISGSA-N 1 0 208.349 1.718 10 0 BDAERO Cn1cnc2c1[C@@H](C1CCCC1)[NH2+]CC2 ZINC000083986047 538525533 /nfs/dbraw/zinc/52/55/33/538525533.db2.gz ASVJPRBGNFQDLX-LLVKDONJSA-N 1 0 205.305 1.797 10 0 BDAERO CCc1ccc(N2C[C@@H]([NH3+])CCC2=O)cc1 ZINC000084010914 538526072 /nfs/dbraw/zinc/52/60/72/538526072.db2.gz JGIUHUQJTFTLKI-NSHDSACASA-N 1 0 218.300 1.703 10 0 BDAERO [NH3+]CCc1c[nH]c2cc(Br)cnc12 ZINC000084308493 538529055 /nfs/dbraw/zinc/52/90/55/538529055.db2.gz ZZTLKABEAYIVFY-UHFFFAOYSA-N 1 0 240.104 1.827 10 0 BDAERO CC(C)CC(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000129795430 538577380 /nfs/dbraw/zinc/57/73/80/538577380.db2.gz BMPFKGUAUDVKFK-QWRGUYRKSA-N 1 0 212.337 1.394 10 0 BDAERO CCCCNC(=O)NC[C@@H]1CC[NH2+]C[C@H]1C ZINC000129808966 538579518 /nfs/dbraw/zinc/57/95/18/538579518.db2.gz XMSVVQWVCACROK-MNOVXSKESA-N 1 0 227.352 1.331 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H](CC(=O)[C@@H]2CCOC2)C1 ZINC000130383626 538590818 /nfs/dbraw/zinc/59/08/18/538590818.db2.gz LYYBIFIOFMSMBR-GMTAPVOTSA-N 1 0 211.305 1.370 10 0 BDAERO Cn1cncc1[C@H]1[C@@H](C[NH3+])CCCN1C1CC1 ZINC000090166654 538592469 /nfs/dbraw/zinc/59/24/69/538592469.db2.gz ZOZIDWDWOURKED-ZWNOBZJWSA-N 1 0 234.347 1.294 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000163072010 202169670 /nfs/dbraw/zinc/16/96/70/202169670.db2.gz LBMLOSWMSYIUDI-VXGBXAGGSA-N 1 0 229.364 1.773 10 0 BDAERO Cc1ccc(C[NH2+][C@H](C(N)=O)C(C)C)c(C)c1 ZINC000223962385 538596945 /nfs/dbraw/zinc/59/69/45/538596945.db2.gz SOTRXYATQJVRLV-ZDUSSCGKSA-N 1 0 234.343 1.903 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCC[C@H](O)C2)cn1 ZINC000390501389 356821520 /nfs/dbraw/zinc/82/15/20/356821520.db2.gz URSVMLOYHQNDKN-RYUDHWBXSA-N 1 0 221.304 1.178 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)ccn1 ZINC000623374147 356886490 /nfs/dbraw/zinc/88/64/90/356886490.db2.gz XQXLBDRKWWGUSV-CHWSQXEVSA-N 1 0 220.316 1.783 10 0 BDAERO COCC[C@H](C)[N@@H+]1CC[C@H](CCO)C1 ZINC000088535036 491104483 /nfs/dbraw/zinc/10/44/83/491104483.db2.gz OQKTZNLUBOZYEN-WDEREUQCSA-N 1 0 201.310 1.116 10 0 BDAERO CCc1ncnc(N[C@H]2C[NH2+]CC[C@H]2C)c1F ZINC000389737432 357022895 /nfs/dbraw/zinc/02/28/95/357022895.db2.gz VXKFADXXQJDQNM-SCZZXKLOSA-N 1 0 238.310 1.588 10 0 BDAERO CCOc1ccccc1[C@H](C)[NH2+]CC(N)=O ZINC000021967720 357054315 /nfs/dbraw/zinc/05/43/15/357054315.db2.gz DQYDZTDRMZTAQO-VIFPVBQESA-N 1 0 222.288 1.221 10 0 BDAERO O=c1ncccn1CC[NH2+]Cc1ccccc1 ZINC000053500176 357007123 /nfs/dbraw/zinc/00/71/23/357007123.db2.gz WFTXTRXFCLQRPW-UHFFFAOYSA-N 1 0 229.283 1.033 10 0 BDAERO c1ccc2oc(=NC[C@H]3C[NH2+]CCCO3)[nH]c2c1 ZINC000389891903 357060374 /nfs/dbraw/zinc/06/03/74/357060374.db2.gz KPEYBWITLBHTFQ-SNVBAGLBSA-N 1 0 247.298 1.040 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2csc(C=O)c2)C1 ZINC000160555125 357061023 /nfs/dbraw/zinc/06/10/23/357061023.db2.gz YEDPIPJTTIHDLF-SECBINFHSA-N 1 0 224.329 1.701 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2csc(C=O)c2)C1 ZINC000160555247 357062140 /nfs/dbraw/zinc/06/21/40/357062140.db2.gz YEDPIPJTTIHDLF-VIFPVBQESA-N 1 0 224.329 1.701 10 0 BDAERO CCc1nc(CC[NH2+]CC2(C)CC2)no1 ZINC000389993680 357080820 /nfs/dbraw/zinc/08/08/20/357080820.db2.gz PNQCGHIEHJVUQB-UHFFFAOYSA-N 1 0 209.293 1.564 10 0 BDAERO [NH3+]C1(C(=O)[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000226433565 357139705 /nfs/dbraw/zinc/13/97/05/357139705.db2.gz AKNGAXNYJKJZFZ-SECBINFHSA-N 1 0 209.289 1.396 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)C[C@H](C)OC ZINC000304531640 357167576 /nfs/dbraw/zinc/16/75/76/357167576.db2.gz BTUVKBYWHURXEO-RYUDHWBXSA-N 1 0 233.352 1.131 10 0 BDAERO COCCNC1=[NH+]CC(C)(C)CS1 ZINC000168719614 357195068 /nfs/dbraw/zinc/19/50/68/357195068.db2.gz LVBBJIAUTICZRS-UHFFFAOYSA-N 1 0 202.323 1.351 10 0 BDAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1c(Br)nnn1C ZINC000300053464 357180863 /nfs/dbraw/zinc/18/08/63/357180863.db2.gz RFKXVWORWCIXKJ-PBXRRBTRSA-N 1 0 245.124 1.233 10 0 BDAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CO)CS1 ZINC000393448963 357309210 /nfs/dbraw/zinc/30/92/10/357309210.db2.gz VMONDKDVTLNTKU-ZDCRXTMVSA-N 1 0 215.362 1.487 10 0 BDAERO C[S@](=O)C1(C[NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC000393701340 357293375 /nfs/dbraw/zinc/29/33/75/357293375.db2.gz CGMKPRIGZHKARQ-QFYYESIMSA-N 1 0 247.404 1.284 10 0 BDAERO COC1(C[NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC000393736573 357294863 /nfs/dbraw/zinc/29/48/63/357294863.db2.gz XBIXQMRRRYWFBB-JTQLQIEISA-N 1 0 215.337 1.552 10 0 BDAERO COC1(C[NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC000393736578 357294895 /nfs/dbraw/zinc/29/48/95/357294895.db2.gz XBIXQMRRRYWFBB-SNVBAGLBSA-N 1 0 215.337 1.552 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000393251283 357279670 /nfs/dbraw/zinc/27/96/70/357279670.db2.gz CAMPXDNTYPNYKN-IGQOVBAYSA-N 1 0 217.312 1.761 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1C[C@H]1CO)c1ccccc1 ZINC000393948114 357321485 /nfs/dbraw/zinc/32/14/85/357321485.db2.gz OZTFPRAMWDPQAC-WCFLWFBJSA-N 1 0 205.301 1.761 10 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Cc1cnc([C@H](C)[NH2+]CCc2ccnn2C)o1 ZINC000231030188 357595785 /nfs/dbraw/zinc/59/57/85/357595785.db2.gz ONQMTGUUBPHPFI-JTQLQIEISA-N 1 0 234.303 1.610 10 0 BDAERO Cc1cc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)ccc1O ZINC000188963469 357605863 /nfs/dbraw/zinc/60/58/63/357605863.db2.gz PMDUNXZBHKBJTC-WCBMZHEXSA-N 1 0 238.262 1.339 10 0 BDAERO O=C(c1ccon1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000231452390 357615329 /nfs/dbraw/zinc/61/53/29/357615329.db2.gz WEKKUQYBWVTTDV-SECBINFHSA-N 1 0 235.287 1.031 10 0 BDAERO CC(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000685945914 538887729 /nfs/dbraw/zinc/88/77/29/538887729.db2.gz FYSBOZYLJVISDC-JGVFFNPUSA-N 1 0 224.226 1.135 10 0 BDAERO CC(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000685945913 538887755 /nfs/dbraw/zinc/88/77/55/538887755.db2.gz FYSBOZYLJVISDC-HTQZYQBOSA-N 1 0 224.226 1.135 10 0 BDAERO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C1CCC1 ZINC000685946792 538888289 /nfs/dbraw/zinc/88/82/89/538888289.db2.gz NIHSACBUOYDNSB-ZYHUDNBSSA-N 1 0 208.305 1.126 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000685947058 538888659 /nfs/dbraw/zinc/88/86/59/538888659.db2.gz ZSAIEFIAYQBLSM-STQMWFEESA-N 1 0 204.317 1.789 10 0 BDAERO CC[C@]1(NC(=O)CC2CC2)CCC[NH2+]C1 ZINC000685947062 538888717 /nfs/dbraw/zinc/88/87/17/538888717.db2.gz IHCPMBXBGRJFMA-LBPRGKRZSA-N 1 0 210.321 1.435 10 0 BDAERO CC(C)CNC(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000685947733 538889857 /nfs/dbraw/zinc/88/98/57/538889857.db2.gz OOENBIQDZCDTQK-NSHDSACASA-N 1 0 213.325 1.165 10 0 BDAERO CC(C)[NH+](C(C)C)[C@H]1CCNC[C@H]1F ZINC000685948680 538890803 /nfs/dbraw/zinc/89/08/03/538890803.db2.gz TVDTXPOWZOBRGI-MNOVXSKESA-N 1 0 202.317 1.805 10 0 BDAERO C[C@H](O)C[N@H+](C)[C@H]1CCOC12CCCC2 ZINC000685949075 538891504 /nfs/dbraw/zinc/89/15/04/538891504.db2.gz JYELJNQCCBHVLW-QWRGUYRKSA-N 1 0 213.321 1.401 10 0 BDAERO [NH3+][C@@]12CCN(C(=O)C3CC3)[C@H]1CCCC2 ZINC000685949058 538891686 /nfs/dbraw/zinc/89/16/86/538891686.db2.gz JSDRXUXFVUZXOW-JQWIXIFHSA-N 1 0 208.305 1.269 10 0 BDAERO CC(C)NC(=O)c1ccc2c(c1)C[C@H]([NH3+])C2 ZINC000685948994 538891777 /nfs/dbraw/zinc/89/17/77/538891777.db2.gz HNWLACDIDRKCDQ-GFCCVEGCSA-N 1 0 218.300 1.251 10 0 BDAERO CC(C)C(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685949220 538892566 /nfs/dbraw/zinc/89/25/66/538892566.db2.gz MKCKSYBIIKEMBV-PWSUYJOCSA-N 1 0 210.321 1.515 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC1CC(C[NH3+])C1 ZINC000685949246 538892705 /nfs/dbraw/zinc/89/27/05/538892705.db2.gz NGGWXANRNBWELF-IDKOKCKLSA-N 1 0 213.325 1.067 10 0 BDAERO CC(C)C(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949896 538893185 /nfs/dbraw/zinc/89/31/85/538893185.db2.gz ZXLQOWHUHBMIMY-ZYHUDNBSSA-N 1 0 210.321 1.433 10 0 BDAERO NC(=O)c1ccc2cc(CC[NH3+])oc2c1 ZINC000685950425 538893855 /nfs/dbraw/zinc/89/38/55/538893855.db2.gz PNGGESIUWMNIDD-UHFFFAOYSA-N 1 0 204.229 1.033 10 0 BDAERO CC[C@H]1COCCN1[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685950617 538893979 /nfs/dbraw/zinc/89/39/79/538893979.db2.gz BRBJKVKNQGHQBQ-QNWHQSFQSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CC[C@H](F)C1 ZINC000685951443 538895292 /nfs/dbraw/zinc/89/52/92/538895292.db2.gz UPESPTKIXYWYQG-BBBLOLIVSA-N 1 0 200.301 1.274 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000392856558 357684574 /nfs/dbraw/zinc/68/45/74/357684574.db2.gz RYDVVAGTPOATHC-WPRPVWTQSA-N 1 0 208.261 1.054 10 0 BDAERO CCC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000190282445 357699406 /nfs/dbraw/zinc/69/94/06/357699406.db2.gz PGRZRLHPPYDCTQ-TZMCWYRMSA-N 1 0 239.359 1.983 10 0 BDAERO CCC[C@H](C(=O)N[C@@H](C)[C@H](C)OC)[NH+](C)C ZINC000190362118 357703944 /nfs/dbraw/zinc/70/39/44/357703944.db2.gz CVXWJGZAMUVRJX-GARJFASQSA-N 1 0 230.352 1.256 10 0 BDAERO CCn1nc(C)c([C@@H](C)[NH2+]CC[C@@H](C)O)c1C ZINC000085982860 357707337 /nfs/dbraw/zinc/70/73/37/357707337.db2.gz ZRNKKLOJSGHZQO-NXEZZACHSA-N 1 0 239.363 1.941 10 0 BDAERO CCCOCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000233221402 357708761 /nfs/dbraw/zinc/70/87/61/357708761.db2.gz YIPNXYJLMMAYMU-UHFFFAOYSA-N 1 0 248.326 1.697 10 0 BDAERO CCOC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000233755852 357744016 /nfs/dbraw/zinc/74/40/16/357744016.db2.gz KOGYTUQFKAYCLL-UTUOFQBUSA-N 1 0 242.363 1.019 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191661220 357781983 /nfs/dbraw/zinc/78/19/83/357781983.db2.gz DIAKSWWVOXJOEI-CHWSQXEVSA-N 1 0 238.375 1.977 10 0 BDAERO CC(C)[NH2+]CCN1CCCN(CC(F)F)CC1 ZINC000191604024 357788826 /nfs/dbraw/zinc/78/88/26/357788826.db2.gz DTKCWIMEDIYBAR-UHFFFAOYSA-N 1 0 249.349 1.257 10 0 BDAERO C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)O1 ZINC000398168044 357855802 /nfs/dbraw/zinc/85/58/02/357855802.db2.gz SPYAXENLMYNJSL-IRCOFANPSA-N 1 0 213.321 1.447 10 0 BDAERO COCCCCCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000234736002 357833322 /nfs/dbraw/zinc/83/33/22/357833322.db2.gz DRXKEMHGHRHBCZ-RYUDHWBXSA-N 1 0 242.363 1.307 10 0 BDAERO CC[C@@H](O)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000398529061 357887282 /nfs/dbraw/zinc/88/72/82/357887282.db2.gz AQQUJZPCMSIMMJ-GHMZBOCLSA-N 1 0 217.353 1.534 10 0 BDAERO CC[C@@H](C[N@@H+]1CC[C@@H](O)C[C@H]1C)OC ZINC000639938547 357944512 /nfs/dbraw/zinc/94/45/12/357944512.db2.gz CFACQEZMTZCLLO-MXWKQRLJSA-N 1 0 201.310 1.257 10 0 BDAERO Cc1nccn1CCC[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639939263 357946559 /nfs/dbraw/zinc/94/65/59/357946559.db2.gz BIYJUROKJPAZLQ-DGCLKSJQSA-N 1 0 237.347 1.427 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCC[C@H]1CCOC1 ZINC000639939154 357946686 /nfs/dbraw/zinc/94/66/86/357946686.db2.gz WNBKOFFLRCQUTO-FRRDWIJNSA-N 1 0 227.348 1.648 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCc1cccnc1 ZINC000639939166 357946708 /nfs/dbraw/zinc/94/67/08/357946708.db2.gz WYMOEXANLZUNNU-DGCLKSJQSA-N 1 0 220.316 1.469 10 0 BDAERO CCC[N@H+](CC)CCNCc1ccnc(C)n1 ZINC000217724209 134250314 /nfs/dbraw/zinc/25/03/14/134250314.db2.gz DYJQJBKTEYMQAE-UHFFFAOYSA-N 1 0 236.363 1.607 10 0 BDAERO Cn1cc(CCC[NH2+]Cc2ccccn2)cn1 ZINC000237778425 358099874 /nfs/dbraw/zinc/09/98/74/358099874.db2.gz NMEKHXWQFFFRPC-UHFFFAOYSA-N 1 0 230.315 1.538 10 0 BDAERO CC(C)OCCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000171500540 134258610 /nfs/dbraw/zinc/25/86/10/134258610.db2.gz RTHBBGIJJXXNGE-UHFFFAOYSA-N 1 0 240.391 1.972 10 0 BDAERO Cc1c(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cnn1C ZINC000163151805 202229401 /nfs/dbraw/zinc/22/94/01/202229401.db2.gz OMFXVLKACRHJIV-GXFFZTMASA-N 1 0 248.374 1.443 10 0 BDAERO O=C(NC1C[NH2+]C1)c1c(F)cccc1Cl ZINC000085255686 134261895 /nfs/dbraw/zinc/26/18/95/134261895.db2.gz ZIMOIGOOEPGIBH-UHFFFAOYSA-N 1 0 228.654 1.181 10 0 BDAERO CCCCOCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172380181 134265749 /nfs/dbraw/zinc/26/57/49/134265749.db2.gz BJVRAZGLRXPEKZ-LBPRGKRZSA-N 1 0 240.347 1.110 10 0 BDAERO Cc1ccnc(N2CCC[N@@H+](C3CC3)CC2)n1 ZINC000172409346 134265759 /nfs/dbraw/zinc/26/57/59/134265759.db2.gz MIRRHAVLDBTAEV-UHFFFAOYSA-N 1 0 232.331 1.460 10 0 BDAERO CC[C@H]1CC[C@H](CCN2CCOCC2)[N@H+](C)C1 ZINC000584607092 358267321 /nfs/dbraw/zinc/26/73/21/358267321.db2.gz BAJZBVGOCVSYOU-UONOGXRCSA-N 1 0 240.391 1.829 10 0 BDAERO CC[NH+](CC)CC[C@@H](OC)N1CCCC1=O ZINC000584607651 358268562 /nfs/dbraw/zinc/26/85/62/358268562.db2.gz ZCBUNYCYFTZCRI-GFCCVEGCSA-N 1 0 228.336 1.313 10 0 BDAERO CO[C@]1(c2ccccc2)O[C@@]12CCC[N@H+](C)C2 ZINC000584620608 358287929 /nfs/dbraw/zinc/28/79/29/358287929.db2.gz XNRQHTPAMDCAEW-ZIAGYGMSSA-N 1 0 233.311 1.980 10 0 BDAERO C[NH+](C)CCN1C(=O)CC2(CCCCC2)C1=O ZINC000584624959 358293609 /nfs/dbraw/zinc/29/36/09/358293609.db2.gz SBVMLBMNBDZSTR-UHFFFAOYSA-N 1 0 238.331 1.257 10 0 BDAERO Cc1c[nH+]c(NN)nc1OCC[Si](C)(C)C ZINC000584625702 358294771 /nfs/dbraw/zinc/29/47/71/358294771.db2.gz ZUHJNWZEHWJPGQ-UHFFFAOYSA-N 1 0 240.383 1.788 10 0 BDAERO Cc1cccc(C(=O)N(C)C2C[NH2+]C2)c1 ZINC000085257587 134268973 /nfs/dbraw/zinc/26/89/73/134268973.db2.gz KNLRTFMXUYGUFD-UHFFFAOYSA-N 1 0 204.273 1.039 10 0 BDAERO NC(=O)c1ccc(C[NH2+]CC2CC2)c(F)c1 ZINC000020037622 181296235 /nfs/dbraw/zinc/29/62/35/181296235.db2.gz CPKZJUTUCLJEGR-UHFFFAOYSA-N 1 0 222.263 1.424 10 0 BDAERO Cc1cnc2c(c1)COC21CC[NH2+]CC1 ZINC000584649836 358304575 /nfs/dbraw/zinc/30/45/75/358304575.db2.gz PNEWLXMUZLIUCT-UHFFFAOYSA-N 1 0 204.273 1.499 10 0 BDAERO C[Si](C)(C)CCOCn1nncc1CC[NH3+] ZINC000584617331 358281956 /nfs/dbraw/zinc/28/19/56/358281956.db2.gz UINAUMVUJZUCBD-UHFFFAOYSA-N 1 0 242.399 1.092 10 0 BDAERO CC(C)(C)C[C@@H](O)C[NH2+]CC(C)(C)O ZINC000226090160 358333631 /nfs/dbraw/zinc/33/36/31/358333631.db2.gz KIVBKXUILYOMAB-SECBINFHSA-N 1 0 203.326 1.144 10 0 BDAERO Cc1oc(C[C@H]2CCCC[NH2+]2)nc1C(C)(C)O ZINC000584636132 358320678 /nfs/dbraw/zinc/32/06/78/358320678.db2.gz ZKUUHZHEHHYROL-SNVBAGLBSA-N 1 0 238.331 1.895 10 0 BDAERO C[C@H](Nc1cc(C[NH3+])ccn1)C(F)F ZINC000584637377 358322929 /nfs/dbraw/zinc/32/29/29/358322929.db2.gz SNGHMHVTNBTNJT-LURJTMIESA-N 1 0 201.220 1.606 10 0 BDAERO CN(C(=O)c1cccc(Cl)c1)C1C[NH2+]C1 ZINC000085257617 134269500 /nfs/dbraw/zinc/26/95/00/134269500.db2.gz UDNUBGYHBYFAJV-UHFFFAOYSA-N 1 0 224.691 1.384 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](Nc2ncnc3[nH]ccc32)C1 ZINC000584640178 358326227 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CO[C@H](C)[C@@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000306230566 359366309 /nfs/dbraw/zinc/36/63/09/359366309.db2.gz ZRSKHLRHPVQVGV-OPRDCNLKSA-N 1 0 203.351 1.847 10 0 BDAERO CC(C)CCC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000404243742 359370493 /nfs/dbraw/zinc/37/04/93/359370493.db2.gz YVZNJYMDEOZAOZ-QWHCGFSZSA-N 1 0 226.364 1.485 10 0 BDAERO C[C@@H]([NH3+])C(C)(C)CN1CCC(F)(F)C1 ZINC000306222779 359345278 /nfs/dbraw/zinc/34/52/78/359345278.db2.gz KUGXWROAPWNMFU-MRVPVSSYSA-N 1 0 206.280 1.701 10 0 BDAERO C[C@@H]1C[S@](=O)[C@H](C)[C@@H](C2CCC2)[NH2+]1 ZINC000306223332 359345358 /nfs/dbraw/zinc/34/53/58/359345358.db2.gz YKKYSFFZPCMNLA-QKBQYUARSA-N 1 0 201.335 1.284 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000306242538 359425131 /nfs/dbraw/zinc/42/51/31/359425131.db2.gz LQTZDCFBQMQSGA-KHONBHQKSA-N 1 0 205.248 1.797 10 0 BDAERO C[C@@H]1CCC[C@@]([NH3+])(Cc2csnn2)C1 ZINC000306250207 359448149 /nfs/dbraw/zinc/44/81/49/359448149.db2.gz YLEHOFYLEIQGIM-SCZZXKLOSA-N 1 0 211.334 1.988 10 0 BDAERO 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C[C@H]([NH3+])c1cncn1[C@@H]1CCS[C@@H]1C ZINC000306329169 359610215 /nfs/dbraw/zinc/61/02/15/359610215.db2.gz OEIWVGNKERQEAU-DJLDLDEBSA-N 1 0 211.334 1.969 10 0 BDAERO C[C@H]1COC[C@@H](CC(=O)c2nccs2)[NH2+]1 ZINC000130356326 359611961 /nfs/dbraw/zinc/61/19/61/359611961.db2.gz YLRYAFVFZNYZCY-JGVFFNPUSA-N 1 0 226.301 1.093 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000623764546 359621226 /nfs/dbraw/zinc/62/12/26/359621226.db2.gz GJWZMOLFKVIIHL-OLZOCXBDSA-N 1 0 246.310 1.407 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1F ZINC000623764803 359631234 /nfs/dbraw/zinc/63/12/34/359631234.db2.gz KCZVFAAQYAZNPA-OLZOCXBDSA-N 1 0 239.290 1.374 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1F ZINC000623764805 359631446 /nfs/dbraw/zinc/63/14/46/359631446.db2.gz KCZVFAAQYAZNPA-STQMWFEESA-N 1 0 239.290 1.374 10 0 BDAERO [NH3+]CCNc1ccc(F)cc1Br ZINC000306346518 359666474 /nfs/dbraw/zinc/66/64/74/359666474.db2.gz PRXYHIJKDCQGJI-UHFFFAOYSA-N 1 0 233.084 1.959 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309049453 491143395 /nfs/dbraw/zinc/14/33/95/491143395.db2.gz QAHXJOFZPZOGKM-PWSUYJOCSA-N 1 0 207.321 1.445 10 0 BDAERO NNc1nc(NCCCF)c(Cl)c[nH+]1 ZINC000306376847 359714058 /nfs/dbraw/zinc/71/40/58/359714058.db2.gz DGEIPMYHYMKUTM-UHFFFAOYSA-N 1 0 219.651 1.187 10 0 BDAERO [NH3+][C@H]1CC[C@](F)(Cc2csnn2)C1 ZINC000306385281 359736383 /nfs/dbraw/zinc/73/63/83/359736383.db2.gz COBVESOCWLWITL-POYBYMJQSA-N 1 0 201.270 1.300 10 0 BDAERO [NH3+][C@H](c1ccsn1)[C@H]1CCSC1 ZINC000306387962 359741945 /nfs/dbraw/zinc/74/19/45/359741945.db2.gz QAACYBNTIXYBNN-XPUUQOCRSA-N 1 0 200.332 1.896 10 0 BDAERO CCOc1cc(N[C@@H](C)CCC[NH3+])ncn1 ZINC000087362229 359908419 /nfs/dbraw/zinc/90/84/19/359908419.db2.gz RHWFEVRQLICYIS-VIFPVBQESA-N 1 0 224.308 1.415 10 0 BDAERO Cc1cc(Br)c(C[NH3+])cc1N ZINC000306436173 359936508 /nfs/dbraw/zinc/93/65/08/359936508.db2.gz CLRRYJDCMXRUKG-UHFFFAOYSA-N 1 0 215.094 1.798 10 0 BDAERO [NH3+]C[C@]1([C@@H]2CCC[C@H]2O)CCCS1 ZINC000306436912 359945407 /nfs/dbraw/zinc/94/54/07/359945407.db2.gz HKKCFAZFGMHSGI-BBBLOLIVSA-N 1 0 201.335 1.372 10 0 BDAERO COCc1cccc(C[NH2+][C@@H]2CCCNC2=O)c1 ZINC000088553664 359966081 /nfs/dbraw/zinc/96/60/81/359966081.db2.gz ASFKTHOGNDQSHT-CYBMUJFWSA-N 1 0 248.326 1.201 10 0 BDAERO C[C@H]1[C@@H](NO)CC[N@@H+]1Cc1ccccc1 ZINC000306449565 360017713 /nfs/dbraw/zinc/01/77/13/360017713.db2.gz ARUVOZQVRBKJSO-JQWIXIFHSA-N 1 0 206.289 1.628 10 0 BDAERO OC1(C2CC2)C[NH+](C[C@H]2Cc3ccccc32)C1 ZINC000090981460 360095743 /nfs/dbraw/zinc/09/57/43/360095743.db2.gz RNDQAZBOKZBTRT-GFCCVEGCSA-N 1 0 229.323 1.783 10 0 BDAERO COc1cc([C@@H]([NH3+])[C@H]2CCOC2)sn1 ZINC000306464655 360077309 /nfs/dbraw/zinc/07/73/09/360077309.db2.gz AWGYVWXLPRPFNM-RCOVLWMOSA-N 1 0 214.290 1.188 10 0 BDAERO O[C@]1(Cc2sccc2Cl)CC[NH2+]C1 ZINC000306468013 360080959 /nfs/dbraw/zinc/08/09/59/360080959.db2.gz LZGRLRADHCJGSA-VIFPVBQESA-N 1 0 217.721 1.668 10 0 BDAERO C[C@@H]([NH3+])[C@@](C)(O)c1ccsc1Cl ZINC000306475171 360113846 /nfs/dbraw/zinc/11/38/46/360113846.db2.gz WWGQQAHZQOMTCI-SVGQVSJJSA-N 1 0 205.710 1.956 10 0 BDAERO [NH3+][C@H](c1cscn1)[C@@H]1CCSC1 ZINC000306483246 360151377 /nfs/dbraw/zinc/15/13/77/360151377.db2.gz MJXYYQNFWIBAHA-SVRRBLITSA-N 1 0 200.332 1.896 10 0 BDAERO Cn1nccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000092785221 360196510 /nfs/dbraw/zinc/19/65/10/360196510.db2.gz PTIAUQRKMBYWFM-NSHDSACASA-N 1 0 223.320 1.157 10 0 BDAERO CC[C@@H]1[C@H](C2CCC2)[NH2+]C[C@H](C)[S@@]1=O ZINC000306488283 360165831 /nfs/dbraw/zinc/16/58/31/360165831.db2.gz JZYAJBJYFCYEGD-ZMZKGCHWSA-N 1 0 215.362 1.674 10 0 BDAERO C[C@@]1(CC[NH3+])CC[C@H](c2csnn2)O1 ZINC000306492309 360205431 /nfs/dbraw/zinc/20/54/31/360205431.db2.gz PYLPEYONWCJYPR-BDAKNGLRSA-N 1 0 213.306 1.497 10 0 BDAERO CC(C)(C[NH3+])C[C@@H](O)COCc1ccccc1 ZINC000306493454 360212414 /nfs/dbraw/zinc/21/24/14/360212414.db2.gz ZDTYGLGHNACLGU-CYBMUJFWSA-N 1 0 237.343 1.939 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2CO)on1 ZINC000309392122 491147941 /nfs/dbraw/zinc/14/79/41/491147941.db2.gz HWEZKKZOSZAVJD-CMPLNLGQSA-N 1 0 224.304 1.624 10 0 BDAERO C[C@@H]1CN(OCc2ccccc2)CC[C@H]1[NH3+] ZINC000306499240 360258469 /nfs/dbraw/zinc/25/84/69/360258469.db2.gz IPBBGHWNNUXXNU-DGCLKSJQSA-N 1 0 220.316 1.787 10 0 BDAERO C[C@H]1CNC(C)(C)C[N@@H+]1[C@@H]1CCSC1 ZINC000231420055 360274239 /nfs/dbraw/zinc/27/42/39/360274239.db2.gz UZVGZNJUQJHOGQ-VHSXEESVSA-N 1 0 214.378 1.564 10 0 BDAERO CC1(C)CN([C@H]2CCSC2)CC[NH2+]1 ZINC000231426808 360335588 /nfs/dbraw/zinc/33/55/88/360335588.db2.gz BUHAAWHZCDOKFB-VIFPVBQESA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]([NH3+])/C=C/c1c(Br)cnn1C ZINC000306519344 360343846 /nfs/dbraw/zinc/34/38/46/360343846.db2.gz CJPATGCVXROMQO-FCJGRKLLSA-N 1 0 230.109 1.543 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccccn2)C1 ZINC000309449302 491148486 /nfs/dbraw/zinc/14/84/86/491148486.db2.gz KSEPKYFSCLYBFH-DGCLKSJQSA-N 1 0 219.332 1.511 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nccn1C ZINC000094449761 360308124 /nfs/dbraw/zinc/30/81/24/360308124.db2.gz MQZCTMQXPIZJRB-QWHCGFSZSA-N 1 0 248.374 1.479 10 0 BDAERO CC1(C)CC[C@@H]1[NH2+]C[C@H]1CSCCN1 ZINC000306523935 360361808 /nfs/dbraw/zinc/36/18/08/360361808.db2.gz WCQKAFYYIOSZQX-UWVGGRQHSA-N 1 0 214.378 1.470 10 0 BDAERO C[C@H]([NH3+])[C@@](C)(O)c1ccc(Cl)s1 ZINC000306530005 360374712 /nfs/dbraw/zinc/37/47/12/360374712.db2.gz JDGDCJNCEGZHAC-YLWLKBPMSA-N 1 0 205.710 1.956 10 0 BDAERO CSC1(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)CCC1 ZINC000306530069 360377000 /nfs/dbraw/zinc/37/70/00/360377000.db2.gz CUUCCQJQGRPRIQ-VHSXEESVSA-N 1 0 214.378 1.551 10 0 BDAERO COC[C@@H](C)[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000309456293 491148563 /nfs/dbraw/zinc/14/85/63/491148563.db2.gz MOOADEGENASCLH-MNOVXSKESA-N 1 0 228.336 1.012 10 0 BDAERO COC[C@@](C)([NH3+])c1c(F)cccc1F ZINC000069758945 360394755 /nfs/dbraw/zinc/39/47/55/360394755.db2.gz NCYINKCGEQSDBU-SNVBAGLBSA-N 1 0 201.216 1.785 10 0 BDAERO CC[C@](C)(C(C)=O)[N@@H+]1CCCO[C@@H](C)C1 ZINC000306565973 360444878 /nfs/dbraw/zinc/44/48/78/360444878.db2.gz YEXUJRLKABMUFD-CMPLNLGQSA-N 1 0 213.321 1.855 10 0 BDAERO C[C@@H]1C[C@@H](N2C(=O)c3ccccc3C2=O)C[NH2+]1 ZINC000306565427 360445708 /nfs/dbraw/zinc/44/57/08/360445708.db2.gz FKISWIBUHKPVHB-RKDXNWHRSA-N 1 0 230.267 1.033 10 0 BDAERO [NH3+]C[C@]1(c2ncc(F)cn2)CCCS1 ZINC000306554828 360427765 /nfs/dbraw/zinc/42/77/65/360427765.db2.gz CJCNWQCDEBDITI-VIFPVBQESA-N 1 0 213.281 1.297 10 0 BDAERO Cc1nc(NCCC(F)F)cc(N)[nH+]1 ZINC000306557404 360431568 /nfs/dbraw/zinc/43/15/68/360431568.db2.gz IYNXOQVCZZEXKT-UHFFFAOYSA-N 1 0 202.208 1.434 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000306558267 360431718 /nfs/dbraw/zinc/43/17/18/360431718.db2.gz OYVFAELARYMFSD-UWVGGRQHSA-N 1 0 244.294 1.410 10 0 BDAERO CC1(C)C[NH2+]CC[C@@]1(O)c1ccns1 ZINC000306580354 360471540 /nfs/dbraw/zinc/47/15/40/360471540.db2.gz NSTRSMZXYCXDTQ-SNVBAGLBSA-N 1 0 212.318 1.350 10 0 BDAERO C[C@@H]1C[NH2+][C@H]([C@H]2CC2(C)C)C[S@@]1=O ZINC000306579561 360472527 /nfs/dbraw/zinc/47/25/27/360472527.db2.gz NBAIETNLPBWGBJ-SKNMHBRKSA-N 1 0 201.335 1.142 10 0 BDAERO C[C@@H]1C[NH2+][C@H]([C@@H]2CC2(C)C)C[S@@]1=O ZINC000306579560 360473015 /nfs/dbraw/zinc/47/30/15/360473015.db2.gz NBAIETNLPBWGBJ-LWIGBJQBSA-N 1 0 201.335 1.142 10 0 BDAERO C[C@H]1CCCN(C2CSC2)[C@@H]1C[NH3+] ZINC000306577597 360466687 /nfs/dbraw/zinc/46/66/87/360466687.db2.gz LKWGWQOOUGDPCS-WCBMZHEXSA-N 1 0 200.351 1.161 10 0 BDAERO CC[C@@H]1CN(C(=O)C=C(C)C)CC[N@@H+]1C ZINC000300828871 360524134 /nfs/dbraw/zinc/52/41/34/360524134.db2.gz OFXKJBHILDHUFO-LLVKDONJSA-N 1 0 210.321 1.505 10 0 BDAERO CC[N@@H+]1CCC[C@@H](N[C@H](C)c2ncc[nH]2)C1 ZINC000309482749 491149527 /nfs/dbraw/zinc/14/95/27/491149527.db2.gz UIGGEKLNCITUPO-GHMZBOCLSA-N 1 0 222.336 1.545 10 0 BDAERO CN(C[C@H]1CCCC1(F)F)C1C[NH2+]C1 ZINC000306594694 360512371 /nfs/dbraw/zinc/51/23/71/360512371.db2.gz JXGJVSIQVNOKIN-MRVPVSSYSA-N 1 0 204.264 1.325 10 0 BDAERO C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC000306598141 360518560 /nfs/dbraw/zinc/51/85/60/360518560.db2.gz PBDHNXHLCOZVCS-ZNSHCXBVSA-N 1 0 214.378 1.550 10 0 BDAERO [NH3+][C@@H]1CCN(C2CC2)[C@@H]1c1cccs1 ZINC000069800130 360558375 /nfs/dbraw/zinc/55/83/75/360558375.db2.gz HUUZMJDCQIUYEV-KOLCDFICSA-N 1 0 208.330 1.985 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@]2([NH3+])CC[C@@H]2C1 ZINC000238127644 360596442 /nfs/dbraw/zinc/59/64/42/360596442.db2.gz HECFFYMRTNKTFF-SKDRFNHKSA-N 1 0 226.320 1.735 10 0 BDAERO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCNC1=O ZINC000309540374 491150784 /nfs/dbraw/zinc/15/07/84/491150784.db2.gz FSRURTRMVQJPGS-GXSJLCMTSA-N 1 0 238.356 1.547 10 0 BDAERO COC(=O)C1=C(O)CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000169676083 360856808 /nfs/dbraw/zinc/85/68/08/360856808.db2.gz XJSVHYPHSCRETF-QWRGUYRKSA-N 1 0 241.331 1.485 10 0 BDAERO CCC[C@H](C[NH2+]CC(C)(C)O)OCC ZINC000629251447 360975756 /nfs/dbraw/zinc/97/57/56/360975756.db2.gz YILTWHXSSQVDOQ-SNVBAGLBSA-N 1 0 203.326 1.552 10 0 BDAERO C[C@@H]1[C@H](C)[NH2+]CCN1C/C(Cl)=C\Cl ZINC000379472503 360952160 /nfs/dbraw/zinc/95/21/60/360952160.db2.gz SPXRQBWQAPAQRO-NLHCUKTESA-N 1 0 223.147 1.988 10 0 BDAERO COC(=O)c1ccc([C@H]2C[NH2+][C@@H](C)C2)cc1 ZINC000238402777 360995406 /nfs/dbraw/zinc/99/54/06/360995406.db2.gz GKBMCAXVTZGHQZ-JOYOIKCWSA-N 1 0 219.284 1.939 10 0 BDAERO [NH3+]C1(C(=O)N2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000237905714 181323698 /nfs/dbraw/zinc/32/36/98/181323698.db2.gz FGSMOMCPDMKSCH-UWVGGRQHSA-N 1 0 208.305 1.126 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CC23CC3)[C@@H]2CCO[C@H]21 ZINC000424333642 200916900 /nfs/dbraw/zinc/91/69/00/200916900.db2.gz YAGKINRCBDACLF-LNFKQOIKSA-N 1 0 207.317 1.942 10 0 BDAERO Cc1ccc([S@](=O)C2C[NH2+]C2)c(C)c1 ZINC000306618220 361193743 /nfs/dbraw/zinc/19/37/43/361193743.db2.gz SAWABXBOYKZTEP-CQSZACIVSA-N 1 0 209.314 1.383 10 0 BDAERO CC(C)[C@](C)(C[NH3+])N1CCOC[C@@H]1C ZINC000041053643 361209516 /nfs/dbraw/zinc/20/95/16/361209516.db2.gz UJUAHMFWZKGHCK-QWRGUYRKSA-N 1 0 200.326 1.081 10 0 BDAERO [NH3+]C1(C(=O)OC2CCOCC2)CCCCC1 ZINC000040991716 181328742 /nfs/dbraw/zinc/32/87/42/181328742.db2.gz SCYNOHSEPWLMMN-UHFFFAOYSA-N 1 0 227.304 1.370 10 0 BDAERO [NH3+]C1(C(=O)OC[C@@H]2CCCCO2)CCCC1 ZINC000048632881 181329145 /nfs/dbraw/zinc/32/91/45/181329145.db2.gz CQHOUVPMFYMRFA-JTQLQIEISA-N 1 0 227.304 1.370 10 0 BDAERO Oc1cc2ccccc2cc1C1=[NH+]CCN1 ZINC000238724950 361372212 /nfs/dbraw/zinc/37/22/12/361372212.db2.gz FLXNNWWFGVHTDN-UHFFFAOYSA-N 1 0 212.252 1.895 10 0 BDAERO [NH3+]C1(C(=O)OC[C@H]2CCCO2)CCCCC1 ZINC000048636796 181330331 /nfs/dbraw/zinc/33/03/31/181330331.db2.gz AAKXEGHMWVEQQS-SNVBAGLBSA-N 1 0 227.304 1.370 10 0 BDAERO C[C@H]1CN(CC2(C)C[NH2+]C2)CCS1 ZINC000306631868 361363188 /nfs/dbraw/zinc/36/31/88/361363188.db2.gz DSDCMYSPNIAGPK-VIFPVBQESA-N 1 0 200.351 1.033 10 0 BDAERO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000309813474 491157067 /nfs/dbraw/zinc/15/70/67/491157067.db2.gz UTSHNKRRTPXIKR-WDEREUQCSA-N 1 0 219.332 1.976 10 0 BDAERO CC[C@H](C)[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000181124702 366788114 /nfs/dbraw/zinc/78/81/14/366788114.db2.gz VBSWJDZFYQOHER-STQMWFEESA-N 1 0 228.380 1.828 10 0 BDAERO COCc1nc(CN[C@@H](C)C[NH+](C)C)cs1 ZINC000309904173 491157973 /nfs/dbraw/zinc/15/79/73/491157973.db2.gz JHFUNXMGWQOLJE-VIFPVBQESA-N 1 0 243.376 1.329 10 0 BDAERO COc1ccc(C)cc1C[NH2+][C@@H]1C[C@H]1CO ZINC000309906087 491158059 /nfs/dbraw/zinc/15/80/59/491158059.db2.gz KHJZEWWUHDWVTL-NWDGAFQWSA-N 1 0 221.300 1.474 10 0 BDAERO [NH3+]C1(c2nc(-c3nc(C4CC4)no3)c[nH]2)CCC1 ZINC000037605932 181335281 /nfs/dbraw/zinc/33/52/81/181335281.db2.gz IRARZHQJGBCAKW-UHFFFAOYSA-N 1 0 245.286 1.675 10 0 BDAERO [NH3+]C1(c2noc(-c3cc[nH]n3)n2)CCCCCC1 ZINC000062779914 181336473 /nfs/dbraw/zinc/33/64/73/181336473.db2.gz JDFAMNLXNAEFES-UHFFFAOYSA-N 1 0 247.302 1.968 10 0 BDAERO NC1=CSC2=N[C@@H](c3ccccc3)NC(=[NH2+])N12 ZINC000100904792 181337646 /nfs/dbraw/zinc/33/76/46/181337646.db2.gz MVOPXMJXVCDDKZ-VIFPVBQESA-N 1 0 245.311 1.176 10 0 BDAERO O[C@]1(c2ccsn2)CC[N@@H+]2CCC[C@H]21 ZINC000306637710 361570364 /nfs/dbraw/zinc/57/03/64/361570364.db2.gz FVWMYOWAAQPCCA-UWVGGRQHSA-N 1 0 210.302 1.199 10 0 BDAERO COC(=O)CC[NH2+]Cc1ccc(Cl)cc1 ZINC000036888728 361577511 /nfs/dbraw/zinc/57/75/11/361577511.db2.gz CHRQVZKXDGGIPE-UHFFFAOYSA-N 1 0 227.691 1.993 10 0 BDAERO NC(=[NH2+])CSc1ccc(Br)cn1 ZINC000070614995 361629278 /nfs/dbraw/zinc/62/92/78/361629278.db2.gz JDIBCHGWORHJDD-UHFFFAOYSA-N 1 0 246.133 1.872 10 0 BDAERO [NH3+]C1CC(NC(=O)c2ccc3ncccc3c2)C1 ZINC000061415998 181340326 /nfs/dbraw/zinc/34/03/26/181340326.db2.gz CVEBHJDZLBLTRS-UHFFFAOYSA-N 1 0 241.294 1.454 10 0 BDAERO [NH3+]C1CC(NC(=O)Cc2ccccc2Cl)C1 ZINC000036237302 181340593 /nfs/dbraw/zinc/34/05/93/181340593.db2.gz GOVGCPQNZIOFSG-UHFFFAOYSA-N 1 0 238.718 1.488 10 0 BDAERO [NH3+]C1CCC(CC(=O)NC2CCCC2)CC1 ZINC000055091278 181341186 /nfs/dbraw/zinc/34/11/86/181341186.db2.gz MVVYAXFJEBDNRV-UHFFFAOYSA-N 1 0 224.348 1.953 10 0 BDAERO [NH3+]C1CCC(C(=O)OCC2CCOCC2)CC1 ZINC000052146007 181341287 /nfs/dbraw/zinc/34/12/87/181341287.db2.gz ZWLMDWMVTFUCOR-UHFFFAOYSA-N 1 0 241.331 1.474 10 0 BDAERO Cc1ccn([C@H]([C@H](C)[NH3+])C(F)(F)F)n1 ZINC000070629253 361683203 /nfs/dbraw/zinc/68/32/03/361683203.db2.gz FGDZXDGAHXRYNF-NKWVEPMBSA-N 1 0 207.199 1.642 10 0 BDAERO c1csc(SC[C@@H]2C[NH2+]CCO2)c1 ZINC000070649805 361696178 /nfs/dbraw/zinc/69/61/78/361696178.db2.gz DLFWQPRRLQMYIU-QMMMGPOBSA-N 1 0 215.343 1.829 10 0 BDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1 ZINC000040749683 181344839 /nfs/dbraw/zinc/34/48/39/181344839.db2.gz MJVSCFUVCVQPMJ-AGUYFDCRSA-N 1 0 244.338 1.710 10 0 BDAERO [NH3+]CC(=O)N(Cc1ccco1)C1CCCC1 ZINC000032014225 181347274 /nfs/dbraw/zinc/34/72/74/181347274.db2.gz LXGXEUBMZFTRQW-UHFFFAOYSA-N 1 0 222.288 1.510 10 0 BDAERO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cn1 ZINC000156085516 201397213 /nfs/dbraw/zinc/39/72/13/201397213.db2.gz AJFLGADGEYDCAK-STQMWFEESA-N 1 0 220.316 1.641 10 0 BDAERO CCOC(=O)c1cccnc1N(CC)CC[NH3+] ZINC000122822508 363846389 /nfs/dbraw/zinc/84/63/89/363846389.db2.gz HFDHUDJVTXZQLA-UHFFFAOYSA-N 1 0 237.303 1.043 10 0 BDAERO C[C@H](C(=O)C1CCC1)[C@@H]1COC[C@@H](C)[NH2+]1 ZINC000306338218 541312792 /nfs/dbraw/zinc/31/27/92/541312792.db2.gz XNMUBAXALICFFV-YWVKMMECSA-N 1 0 211.305 1.369 10 0 BDAERO C[C@H]1C[C@]2(CS1)[NH2+]CCc1nc[nH]c12 ZINC000307091797 541314890 /nfs/dbraw/zinc/31/48/90/541314890.db2.gz RECFAUPUEGORKG-OIBJUYFYSA-N 1 0 209.318 1.276 10 0 BDAERO CCn1cccc1-c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000409422698 541317525 /nfs/dbraw/zinc/31/75/25/541317525.db2.gz JSGVLECPUITPCA-SECBINFHSA-N 1 0 232.287 1.635 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000124257015 541326220 /nfs/dbraw/zinc/32/62/20/541326220.db2.gz FGMYJVBDIYGTKM-ZANVPECISA-N 1 0 230.311 1.471 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000124256800 541326298 /nfs/dbraw/zinc/32/62/98/541326298.db2.gz FGMYJVBDIYGTKM-RNCFNFMXSA-N 1 0 230.311 1.471 10 0 BDAERO CO[C@H]1CN(CCCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356822 364077875 /nfs/dbraw/zinc/07/78/75/364077875.db2.gz BASGBNWXVAHBDQ-CHWSQXEVSA-N 1 0 244.379 1.240 10 0 BDAERO C=Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N)cc1 ZINC000725241575 541329868 /nfs/dbraw/zinc/32/98/68/541329868.db2.gz ZSGISOJMFBOCIA-QWHCGFSZSA-N 1 0 202.301 1.734 10 0 BDAERO [NH3+]CC(=O)Nc1cc(F)c(F)cc1F ZINC000061094324 181354880 /nfs/dbraw/zinc/35/48/80/181354880.db2.gz NFLPWEKYXHRSQE-UHFFFAOYSA-N 1 0 204.151 1.001 10 0 BDAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000037480187 364063756 /nfs/dbraw/zinc/06/37/56/364063756.db2.gz QFKXNJVALPMREG-QWRGUYRKSA-N 1 0 228.336 1.058 10 0 BDAERO CO[C@H]1CN(Cc2nccs2)[C@](C)(C[NH3+])C1 ZINC000630368665 364086142 /nfs/dbraw/zinc/08/61/42/364086142.db2.gz SPXDOQZPTXDAHM-KOLCDFICSA-N 1 0 241.360 1.081 10 0 BDAERO CO[C@@H]1CN(Cc2ccncc2C)[C@](C)(C[NH3+])C1 ZINC000630366455 364086753 /nfs/dbraw/zinc/08/67/53/364086753.db2.gz KQTIYVLMJIEPCF-KBPBESRZSA-N 1 0 249.358 1.328 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000725263574 541336638 /nfs/dbraw/zinc/33/66/38/541336638.db2.gz RMPWDDMMCCPGKL-RYUDHWBXSA-N 1 0 241.379 1.801 10 0 BDAERO [NH3+]CC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000037044635 181355845 /nfs/dbraw/zinc/35/58/45/181355845.db2.gz MUXMQXLSDILQKS-UHFFFAOYSA-N 1 0 235.674 1.785 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000725263651 541336781 /nfs/dbraw/zinc/33/67/81/541336781.db2.gz YRTABJYOZUIHPW-NWDGAFQWSA-N 1 0 241.379 1.720 10 0 BDAERO CC(C)(C)NC(=O)N[C@@]12CC[NH2+][C@H]1CCCC2 ZINC000725264570 541337664 /nfs/dbraw/zinc/33/76/64/541337664.db2.gz XDPMZMXJBZAZIH-GWCFXTLKSA-N 1 0 239.363 1.759 10 0 BDAERO CC[C@H](C)C[NH2+]C[C@@H](O)[C@H]1COC(C)(C)O1 ZINC000725269804 541339275 /nfs/dbraw/zinc/33/92/75/541339275.db2.gz ZDGIOCKKAXHWFE-HBNTYKKESA-N 1 0 231.336 1.135 10 0 BDAERO CCC(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725271264 541339607 /nfs/dbraw/zinc/33/96/07/541339607.db2.gz JYVHOJWBBLUFTR-SNVBAGLBSA-N 1 0 204.273 1.981 10 0 BDAERO [NH3+]CC/C=C/c1ccc2c(c1)OCCO2 ZINC000032010447 181357559 /nfs/dbraw/zinc/35/75/59/181357559.db2.gz UCESYCXCVQVHRE-HNQUOIGGSA-N 1 0 205.257 1.820 10 0 BDAERO C[NH2+]CCOCCNc1ncc(Cl)cc1F ZINC000630531587 364223942 /nfs/dbraw/zinc/22/39/42/364223942.db2.gz XMXJGEAHGFDZIP-UHFFFAOYSA-N 1 0 247.701 1.522 10 0 BDAERO CCCOc1nccnc1N1CC[C@H]([NH3+])[C@H]1C ZINC000630516404 364201036 /nfs/dbraw/zinc/20/10/36/364201036.db2.gz FJKOMJLNYGCFMS-ZJUUUORDSA-N 1 0 236.319 1.191 10 0 BDAERO CCOc1cncc(N[C@@H]2CC[NH2+][C@H]2CC)n1 ZINC000630525725 364209744 /nfs/dbraw/zinc/20/97/44/364209744.db2.gz KTUDAEGJSSSELE-VHSXEESVSA-N 1 0 236.319 1.428 10 0 BDAERO CCCc1nccnc1N(CC)CC[NH3+] ZINC000630524373 364211090 /nfs/dbraw/zinc/21/10/90/364211090.db2.gz MHAWHNOXJJKKCT-UHFFFAOYSA-N 1 0 208.309 1.214 10 0 BDAERO COc1cccnc1NCC1([NH3+])CCOCC1 ZINC000630524588 364211449 /nfs/dbraw/zinc/21/14/49/364211449.db2.gz RYRINKLGXSHOLU-UHFFFAOYSA-N 1 0 237.303 1.010 10 0 BDAERO [NH3+]C1(CNc2ncccc2F)CCOCC1 ZINC000630525109 364212335 /nfs/dbraw/zinc/21/23/35/364212335.db2.gz BMPOKIPQQKVJBC-UHFFFAOYSA-N 1 0 225.267 1.141 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C)cc(OC)n1 ZINC000630526640 364213458 /nfs/dbraw/zinc/21/34/58/364213458.db2.gz ZUKWWJISADKRHX-VHSXEESVSA-N 1 0 236.319 1.346 10 0 BDAERO [NH3+]CC1(C(=O)Nc2ccccn2)CCC1 ZINC000082639835 181358468 /nfs/dbraw/zinc/35/84/68/181358468.db2.gz ZSZDJHYNGLRDNS-UHFFFAOYSA-N 1 0 205.261 1.149 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C)ccn1 ZINC000630529454 364217548 /nfs/dbraw/zinc/21/75/48/364217548.db2.gz VGUDJWXLFZENAJ-WDEREUQCSA-N 1 0 205.305 1.942 10 0 BDAERO C[NH2+]CCOCCN(C)c1cccc(C)n1 ZINC000630530749 364220619 /nfs/dbraw/zinc/22/06/19/364220619.db2.gz OHZUDHSLKVDMGI-UHFFFAOYSA-N 1 0 223.320 1.062 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000092051956 541344876 /nfs/dbraw/zinc/34/48/76/541344876.db2.gz UVPRFIUXYUBEJI-BFHYXJOUSA-N 1 0 240.391 1.875 10 0 BDAERO [NH3+]CC1(CN2CCn3ccnc3C2)CCCCC1 ZINC000062322220 181358915 /nfs/dbraw/zinc/35/89/15/181358915.db2.gz CGIQPNDJUTVPQS-UHFFFAOYSA-N 1 0 248.374 1.608 10 0 BDAERO C[C@H]1CN(c2nc3ccccc3o2)C[C@H]1C[NH3+] ZINC000630576800 364274398 /nfs/dbraw/zinc/27/43/98/364274398.db2.gz ZSNRVVDYJMDFDU-VHSXEESVSA-N 1 0 231.299 1.859 10 0 BDAERO C[C@@H]1CN(c2ccc3nccnc3n2)C[C@H]1C[NH3+] ZINC000630576695 364274493 /nfs/dbraw/zinc/27/44/93/364274493.db2.gz YZYUIBJZPSBZGK-NXEZZACHSA-N 1 0 243.314 1.056 10 0 BDAERO Cc1nccnc1N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000630541921 364237938 /nfs/dbraw/zinc/23/79/38/364237938.db2.gz OCRJEEOJHQFJDB-BETUJISGSA-N 1 0 232.331 1.221 10 0 BDAERO CCc1cc(CC)nc(N[C@@H]2CC[NH2+][C@H]2C)n1 ZINC000630543289 364238827 /nfs/dbraw/zinc/23/88/27/364238827.db2.gz AUDZRZAPMGMCKK-JOYOIKCWSA-N 1 0 234.347 1.764 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1N=c1[nH]c2ccccc2o1 ZINC000630546198 364241075 /nfs/dbraw/zinc/24/10/75/364241075.db2.gz UWEXNZRZIRNWEP-DTWKUNHWSA-N 1 0 217.272 1.412 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1Cl ZINC000630546327 364241639 /nfs/dbraw/zinc/24/16/39/364241639.db2.gz PBQMCEUWDXBSPZ-IONNQARKSA-N 1 0 211.696 1.897 10 0 BDAERO Cc1cc(N2CCCCC[C@H]([NH3+])C2)nc(C)n1 ZINC000630549028 364242340 /nfs/dbraw/zinc/24/23/40/364242340.db2.gz HGWADNYNXPGWFM-LBPRGKRZSA-N 1 0 234.347 1.801 10 0 BDAERO [NH3+][C@@H]1CCCCCN(c2ccc(F)cn2)C1 ZINC000630550133 364243612 /nfs/dbraw/zinc/24/36/12/364243612.db2.gz QEYGNFANCIBHPN-LLVKDONJSA-N 1 0 223.295 1.928 10 0 BDAERO Cc1nnc(N2CCCCC[C@H]([NH3+])C2)s1 ZINC000630548705 364245248 /nfs/dbraw/zinc/24/52/48/364245248.db2.gz JGIHZUGCSJKAKW-VIFPVBQESA-N 1 0 226.349 1.554 10 0 BDAERO CCc1cc(CC)nc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630552333 364246682 /nfs/dbraw/zinc/24/66/82/364246682.db2.gz CVHQCUANWOGGCW-WDEREUQCSA-N 1 0 248.374 1.632 10 0 BDAERO Cc1cnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)nc1C ZINC000630554123 364249059 /nfs/dbraw/zinc/24/90/59/364249059.db2.gz OKRHYNTWOORRHH-KOLCDFICSA-N 1 0 220.320 1.124 10 0 BDAERO NCC1([N@@H+]2CCCSCC2)CCCC1 ZINC000042443588 181360047 /nfs/dbraw/zinc/36/00/47/181360047.db2.gz QMDUGTDOHRVQQY-UHFFFAOYSA-N 1 0 214.378 1.697 10 0 BDAERO [NH3+]CC1([NH+]2CCCC2)CCSCC1 ZINC000042334890 181360177 /nfs/dbraw/zinc/36/01/77/181360177.db2.gz COYJXFYYYHHUHW-UHFFFAOYSA-N 1 0 200.351 1.307 10 0 BDAERO C[C@H]1CN(c2nc3ccccc3[nH]2)C[C@H]1C[NH3+] ZINC000630575025 364273648 /nfs/dbraw/zinc/27/36/48/364273648.db2.gz WTIYIBPHOVUBCA-VHSXEESVSA-N 1 0 230.315 1.594 10 0 BDAERO Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)ncn1 ZINC000630533803 364225592 /nfs/dbraw/zinc/22/55/92/364225592.db2.gz RMQADUKMCFGPEL-WCBMZHEXSA-N 1 0 206.293 1.337 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2ncncc2Cl)C[NH2+]1 ZINC000630533754 364226344 /nfs/dbraw/zinc/22/63/44/364226344.db2.gz QXMJNGGSSXESMF-HTQZYQBOSA-N 1 0 226.711 1.682 10 0 BDAERO [NH3+]CCCOCCNc1ccc2ccccc2n1 ZINC000630533874 364227049 /nfs/dbraw/zinc/22/70/49/364227049.db2.gz GPIIZQORVVFWOO-UHFFFAOYSA-N 1 0 245.326 1.434 10 0 BDAERO Cc1nccc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630534303 364227414 /nfs/dbraw/zinc/22/74/14/364227414.db2.gz VRUGGZHGXJAOEG-WCBMZHEXSA-N 1 0 206.293 1.337 10 0 BDAERO Cc1ccnc(N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000630533929 364227468 /nfs/dbraw/zinc/22/74/68/364227468.db2.gz HPIRJGWKKXJWAN-QWRGUYRKSA-N 1 0 205.305 1.942 10 0 BDAERO C[C@H]1CC[C@@H](Nc2ncccc2F)C[NH2+]1 ZINC000630534329 364227777 /nfs/dbraw/zinc/22/77/77/364227777.db2.gz JVHRPSZDFBJODY-DTWKUNHWSA-N 1 0 209.268 1.773 10 0 BDAERO NCC1([NH+]2CCCCCC2)CCOCC1 ZINC000036304790 181360427 /nfs/dbraw/zinc/36/04/27/181360427.db2.gz YLCDXZOMIPREAC-UHFFFAOYSA-N 1 0 212.337 1.370 10 0 BDAERO CC(C)c1cc(N[C@H](C)CC[NH3+])ncn1 ZINC000134274858 364397163 /nfs/dbraw/zinc/39/71/63/364397163.db2.gz VASUCYBQBVOLDY-SECBINFHSA-N 1 0 208.309 1.749 10 0 BDAERO [NH3+]CC1(c2ccnc(Br)c2)CC1 ZINC000083323843 181363450 /nfs/dbraw/zinc/36/34/50/181363450.db2.gz SLTVGLWPTPTTBC-UHFFFAOYSA-N 1 0 227.105 1.834 10 0 BDAERO CC(C)CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861647 364533418 /nfs/dbraw/zinc/53/34/18/364533418.db2.gz RXUQOZBGEMNFMR-LLVKDONJSA-N 1 0 227.352 1.378 10 0 BDAERO C[C@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH+](C)C)C1 ZINC000090815379 364534582 /nfs/dbraw/zinc/53/45/82/364534582.db2.gz ZENFBHBBYLJUDA-MNOVXSKESA-N 1 0 242.363 1.353 10 0 BDAERO CCC[C@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170863970 364543944 /nfs/dbraw/zinc/54/39/44/364543944.db2.gz JLKLNHQEERKOOT-RYUDHWBXSA-N 1 0 226.364 1.975 10 0 BDAERO CC(C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247069826 364618560 /nfs/dbraw/zinc/61/85/60/364618560.db2.gz HMLYSYPAKWTXKP-MNOVXSKESA-N 1 0 210.321 1.338 10 0 BDAERO [NH3+]CCC(=O)Nc1cc(F)c(F)cc1F ZINC000061093936 181368902 /nfs/dbraw/zinc/36/89/02/181368902.db2.gz VKLPJYQQVGTTDN-UHFFFAOYSA-N 1 0 218.178 1.391 10 0 BDAERO CCOC(=O)C[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000038221947 364719782 /nfs/dbraw/zinc/71/97/82/364719782.db2.gz ONGSQPYHCQJKPP-JTQLQIEISA-N 1 0 241.262 1.787 10 0 BDAERO CCOc1nccnc1NCC[C@H](C)[NH3+] ZINC000573585963 364857649 /nfs/dbraw/zinc/85/76/49/364857649.db2.gz YUBHYFWIVQMTRF-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BDAERO CCN1CCO[C@H](C[NH2+]C2CC(C(C)C)C2)C1 ZINC000233516930 541384637 /nfs/dbraw/zinc/38/46/37/541384637.db2.gz VSOQTPMITTYAPF-JXQTWKCFSA-N 1 0 240.391 1.731 10 0 BDAERO N[C@@H]1C=C(Cc2ccc(Cl)cn2)C[NH2+]C1 ZINC000675078508 541390516 /nfs/dbraw/zinc/39/05/16/541390516.db2.gz QFMYXYQKZZQHKS-SNVBAGLBSA-N 1 0 223.707 1.134 10 0 BDAERO [NH3+]CCCC(=O)Nc1ccccc1-n1cccn1 ZINC000037026672 181374429 /nfs/dbraw/zinc/37/44/29/181374429.db2.gz ZRKOSMSHOAQXLI-UHFFFAOYSA-N 1 0 244.298 1.550 10 0 BDAERO [NH3+]CCCC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000037013518 181373713 /nfs/dbraw/zinc/37/37/13/181373713.db2.gz QYVQNMZTTWWZJP-UHFFFAOYSA-N 1 0 244.298 1.550 10 0 BDAERO [NH3+]CCCCCCNc1nsc2nccn12 ZINC000013641253 181375525 /nfs/dbraw/zinc/37/55/25/181375525.db2.gz LFQZVAJZFDJDEG-UHFFFAOYSA-N 1 0 239.348 1.722 10 0 BDAERO [NH3+]CCCCSc1nnnn1-c1ccccc1 ZINC000035724463 181378621 /nfs/dbraw/zinc/37/86/21/181378621.db2.gz PGUNFNNYQRFUFL-UHFFFAOYSA-N 1 0 249.343 1.493 10 0 BDAERO [NH3+]CCCCn1cnc2ccsc2c1=O ZINC000053529386 181379414 /nfs/dbraw/zinc/37/94/14/181379414.db2.gz WVQQQONDVVROKC-UHFFFAOYSA-N 1 0 223.301 1.197 10 0 BDAERO [NH3+]CCCNc1cnc2ccccc2n1 ZINC000052017432 181383571 /nfs/dbraw/zinc/38/35/71/181383571.db2.gz WPHIDRYLYXLWCG-UHFFFAOYSA-N 1 0 202.261 1.391 10 0 BDAERO [NH3+]CCCSCC(=O)Nc1ccc(F)cc1 ZINC000019953438 181384894 /nfs/dbraw/zinc/38/48/94/181384894.db2.gz JUVJQDOFKLBAMB-UHFFFAOYSA-N 1 0 242.319 1.846 10 0 BDAERO [NH3+]CCCc1noc(-c2ccccc2)n1 ZINC000019682240 181388104 /nfs/dbraw/zinc/38/81/04/181388104.db2.gz KVKJAEGWCGDSFA-UHFFFAOYSA-N 1 0 203.245 1.628 10 0 BDAERO [NH3+]CCCc1nnc(CCc2cccnc2)o1 ZINC000019733366 181388241 /nfs/dbraw/zinc/38/82/41/181388241.db2.gz ZPXCFDCAJIHDCN-UHFFFAOYSA-N 1 0 232.287 1.141 10 0 BDAERO [NH3+]CCCn1c2ccccc2[nH]c1=S ZINC000075952704 181389288 /nfs/dbraw/zinc/38/92/88/181389288.db2.gz SIZMAKFTDVTFNI-UHFFFAOYSA-N 1 0 207.302 1.674 10 0 BDAERO [NH3+]CCN(Cc1ccco1)Cc1ccncc1 ZINC000076614645 181390225 /nfs/dbraw/zinc/39/02/25/181390225.db2.gz RLBNXSNCDYUBTB-UHFFFAOYSA-N 1 0 231.299 1.636 10 0 BDAERO [NH3+]CC[C@@H](O)CCOc1ccc2c(c1)CCC2 ZINC000041266946 181403019 /nfs/dbraw/zinc/40/30/19/181403019.db2.gz WLAMGTZOZSSTFN-CYBMUJFWSA-N 1 0 235.327 1.654 10 0 BDAERO NCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000037712828 181396329 /nfs/dbraw/zinc/39/63/29/181396329.db2.gz MCDCXRPXGPCQNH-UHFFFAOYSA-N 1 0 208.280 1.620 10 0 BDAERO [NH3+]CCNCc1ccc(Cl)c(F)c1 ZINC000044419262 181398029 /nfs/dbraw/zinc/39/80/29/181398029.db2.gz KFADBNJSHSIGIJ-UHFFFAOYSA-N 1 0 202.660 1.527 10 0 BDAERO Nc1cc(Cl)c(OCC[NH3+])c(Cl)c1 ZINC000083350899 181399388 /nfs/dbraw/zinc/39/93/88/181399388.db2.gz ACXLQAFGQKXAEU-UHFFFAOYSA-N 1 0 221.087 1.913 10 0 BDAERO [NH3+]CCc1nnc(N2CCCc3ccccc32)o1 ZINC000011570384 181414623 /nfs/dbraw/zinc/41/46/23/181414623.db2.gz ILZVXXTXFXHANK-UHFFFAOYSA-N 1 0 244.298 1.655 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1[NH2+]C[C@@H]2CCC[C@H]21 ZINC000116545318 370803714 /nfs/dbraw/zinc/80/37/14/370803714.db2.gz NEKNRPZRUGJBHN-IVZWLZJFSA-N 1 0 211.305 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BDAERO CCCCOC[C@H](O)C[NH2+]Cc1occc1C ZINC000383890838 367658812 /nfs/dbraw/zinc/65/88/12/367658812.db2.gz LWWLIOCPLXTVTP-GFCCVEGCSA-N 1 0 241.331 1.855 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3CC4(CCC4)C3)C[C@H]12 ZINC000581665571 367665420 /nfs/dbraw/zinc/66/54/20/367665420.db2.gz TVOOLIHRONIHPN-WCFLWFBJSA-N 1 0 248.370 1.762 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)C[C@@H]12 ZINC000581665570 367665890 /nfs/dbraw/zinc/66/58/90/367665890.db2.gz TVOOLIHRONIHPN-RAIGVLPGSA-N 1 0 248.370 1.762 10 0 BDAERO Cc1nnsc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000384268871 367680118 /nfs/dbraw/zinc/68/01/18/367680118.db2.gz RANWQUABLHVIKD-DTWKUNHWSA-N 1 0 226.349 1.206 10 0 BDAERO CCN(CC1CC1)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384334883 367685642 /nfs/dbraw/zinc/68/56/42/367685642.db2.gz BFWGCXCWJOXFHP-PWSUYJOCSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000384521638 367696026 /nfs/dbraw/zinc/69/60/26/367696026.db2.gz BCJNTXIARUJKRO-VXGBXAGGSA-N 1 0 228.380 1.731 10 0 BDAERO C/C=C/C[NH2+]Cc1c(C)nn(C)c1OC ZINC000384745513 367724933 /nfs/dbraw/zinc/72/49/33/367724933.db2.gz MUMBCWBRYOCDEE-AATRIKPKSA-N 1 0 209.293 1.403 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)C(C)(C)C ZINC000384875154 367747187 /nfs/dbraw/zinc/74/71/87/367747187.db2.gz PMFLIFISCZARRR-VWYCJHECSA-N 1 0 215.337 1.239 10 0 BDAERO COCCCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384911989 367756230 /nfs/dbraw/zinc/75/62/30/367756230.db2.gz PYXMKUBCLWWEJV-QWRGUYRKSA-N 1 0 201.310 1.258 10 0 BDAERO CCc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)nc(C)n1 ZINC000384955223 367764009 /nfs/dbraw/zinc/76/40/09/367764009.db2.gz CGEYQZFJFQQWRC-WPRPVWTQSA-N 1 0 220.320 1.273 10 0 BDAERO OC[C@@H]1C[N@H+](CCC2=CCCCC2)CCO1 ZINC000385240347 367812304 /nfs/dbraw/zinc/81/23/04/367812304.db2.gz VIPJGOHIZYHQIV-ZDUSSCGKSA-N 1 0 225.332 1.570 10 0 BDAERO CN1CC[C@@H]([NH2+]C[C@H]2CSCCS2)C1 ZINC000252748430 367906628 /nfs/dbraw/zinc/90/66/28/367906628.db2.gz SVIJSKDMJDJFMX-ZJUUUORDSA-N 1 0 232.418 1.129 10 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1.039 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC000399300487 368091678 /nfs/dbraw/zinc/09/16/78/368091678.db2.gz JCIVDURMISXJRP-VIFPVBQESA-N 1 0 241.360 1.336 10 0 BDAERO Cc1ccc(F)c(C(=O)CC2C[NH2+]C2)c1 ZINC000226517017 368303424 /nfs/dbraw/zinc/30/34/24/368303424.db2.gz COGQVNVLLUSDEE-UHFFFAOYSA-N 1 0 207.248 1.926 10 0 BDAERO C[C@@H]1CC=C(C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000038417758 368326509 /nfs/dbraw/zinc/32/65/09/368326509.db2.gz BGNMLZYHZSAAQJ-LLVKDONJSA-N 1 0 230.311 1.693 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccccc2)C1 ZINC000114479173 368386203 /nfs/dbraw/zinc/38/62/03/368386203.db2.gz ADFBVTAJGJLTTL-AAEUAGOBSA-N 1 0 205.301 1.889 10 0 BDAERO C[NH+](C)C[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000204518123 368400096 /nfs/dbraw/zinc/40/00/96/368400096.db2.gz QEMPOWXQAVOYFY-SECBINFHSA-N 1 0 219.206 1.699 10 0 BDAERO C[C@H](C(N)=[NH2+])N1CCS[C@@H](C)[C@H]1C ZINC000253077065 368471431 /nfs/dbraw/zinc/47/14/31/368471431.db2.gz RUHKFWIASUNFBN-PRJMDXOYSA-N 1 0 201.339 1.137 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000253078781 368471549 /nfs/dbraw/zinc/47/15/49/368471549.db2.gz UAJAFEGHWSFKMT-IWSPIJDZSA-N 1 0 200.351 1.639 10 0 BDAERO COC[C@H]1[NH2+]CCc2cc(OC)ccc21 ZINC000107846706 368522109 /nfs/dbraw/zinc/52/21/09/368522109.db2.gz BCTXAEQYVUMNDX-GFCCVEGCSA-N 1 0 207.273 1.528 10 0 BDAERO C[C@@H]1CCC[C@@H](CC(=O)[C@H]2CCOC2)[NH2+]1 ZINC000253187503 368603024 /nfs/dbraw/zinc/60/30/24/368603024.db2.gz YNLWKKZBUBNXQO-VWYCJHECSA-N 1 0 211.305 1.513 10 0 BDAERO Cc1cc(C[NH2+]CC[C@@H](C)O)cc(C)c1O ZINC000082993876 368730762 /nfs/dbraw/zinc/73/07/62/368730762.db2.gz KKZKBYRHEFNDSK-LLVKDONJSA-N 1 0 223.316 1.870 10 0 BDAERO CN(C)C(=O)c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000084857296 368858943 /nfs/dbraw/zinc/85/89/43/368858943.db2.gz NHQGBXKPOFKEOS-UHFFFAOYSA-N 1 0 247.342 1.188 10 0 BDAERO C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122948 368889034 /nfs/dbraw/zinc/88/90/34/368889034.db2.gz XSQQHJAECRTDGP-IRCOFANPSA-N 1 0 224.348 1.679 10 0 BDAERO NC(=O)O[C@@H](C[NH3+])c1ccccc1Cl ZINC000113410299 368891681 /nfs/dbraw/zinc/89/16/81/368891681.db2.gz INJZLYLBSBRSCQ-QMMMGPOBSA-N 1 0 214.652 1.435 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCC[C@H]2C ZINC000253281994 368912644 /nfs/dbraw/zinc/91/26/44/368912644.db2.gz LDCLTTVXTQAGSG-SCVCMEIPSA-N 1 0 211.305 1.575 10 0 BDAERO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000623766332 369001221 /nfs/dbraw/zinc/00/12/21/369001221.db2.gz DNUVGMITCQWARZ-ZOBORPQBSA-N 1 0 241.375 1.942 10 0 BDAERO CC1CCC(C[NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000623766320 369001323 /nfs/dbraw/zinc/00/13/23/369001323.db2.gz DJDJYXBDDGFWKE-TYUFSLCMSA-N 1 0 227.348 1.552 10 0 BDAERO C[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1[NH3+] ZINC000107259376 259535334 /nfs/dbraw/zinc/53/53/34/259535334.db2.gz SRPCZFCRBYSYDY-AAEUAGOBSA-N 1 0 248.326 1.992 10 0 BDAERO CN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091546368 369014404 /nfs/dbraw/zinc/01/44/04/369014404.db2.gz WWZIHQVOPPCOOG-VXGBXAGGSA-N 1 0 248.326 1.478 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000623766701 369030727 /nfs/dbraw/zinc/03/07/27/369030727.db2.gz KYDKHPXJOIJLBO-KBPBESRZSA-N 1 0 246.310 1.407 10 0 BDAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1cccc(O)c1 ZINC000054686355 369087497 /nfs/dbraw/zinc/08/74/97/369087497.db2.gz HNXULIJRZDKYNQ-HUUCEWRRSA-N 1 0 243.306 1.996 10 0 BDAERO [NH3+]C[C@@H]1CO[C@H](c2ccccc2Cl)O1 ZINC000049815491 181438541 /nfs/dbraw/zinc/43/85/41/181438541.db2.gz UKGATQURCADFDJ-XCBNKYQSSA-N 1 0 213.664 1.713 10 0 BDAERO CC[N@@H+]1CCOCC[C@@H]1c1ccccn1 ZINC000616599912 369100492 /nfs/dbraw/zinc/10/04/92/369100492.db2.gz ZALZDSMNJPWQPB-GFCCVEGCSA-N 1 0 206.289 1.865 10 0 BDAERO CC(C)[N@@H+]1CCC[C@H](c2cn[nH]n2)CC1 ZINC000616602995 369100817 /nfs/dbraw/zinc/10/08/17/369100817.db2.gz UUZOFMPKVPWSNX-JTQLQIEISA-N 1 0 208.309 1.783 10 0 BDAERO [NH3+]C[C@H](CCC(=O)NC1CC1)c1ccccc1 ZINC000076615098 181443951 /nfs/dbraw/zinc/44/39/51/181443951.db2.gz SKDNFMGMWPKTOD-LBPRGKRZSA-N 1 0 232.327 1.788 10 0 BDAERO [NH3+]C[C@H](CO)c1ccnc2ccccc21 ZINC000063065252 181444029 /nfs/dbraw/zinc/44/40/29/181444029.db2.gz YCQVOICQCPGFFZ-SECBINFHSA-N 1 0 202.257 1.269 10 0 BDAERO [NH3+]C[C@](O)(c1ccc2c(c1)OCCO2)C1CC1 ZINC000049827278 181468788 /nfs/dbraw/zinc/46/87/88/181468788.db2.gz ZQIXGVRBTKGPDD-CYBMUJFWSA-N 1 0 235.283 1.014 10 0 BDAERO CCCc1noc(CN2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631841961 369358550 /nfs/dbraw/zinc/35/85/50/369358550.db2.gz SJGHTHQZAIVVAC-VHSXEESVSA-N 1 0 238.335 1.049 10 0 BDAERO Cc1ccc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)cc1 ZINC000404277645 369425965 /nfs/dbraw/zinc/42/59/65/369425965.db2.gz SPXGCQHBJMTPBB-HUUCEWRRSA-N 1 0 246.354 1.558 10 0 BDAERO COCCn1ccc2nccc(OC)c21 ZINC000117898245 370982114 /nfs/dbraw/zinc/98/21/14/370982114.db2.gz ADYAOKQXIJHIHI-UHFFFAOYSA-N 1 0 206.245 1.691 10 0 BDAERO [NH3+]Cc1ccc(Cn2nnc3ccccc32)cc1 ZINC000052576620 181483192 /nfs/dbraw/zinc/48/31/92/181483192.db2.gz SQHWFZCTQKYXAZ-UHFFFAOYSA-N 1 0 238.294 1.938 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000082278091 370979046 /nfs/dbraw/zinc/97/90/46/370979046.db2.gz UYBYMHNGDYLTJL-LLVKDONJSA-N 1 0 210.321 1.339 10 0 BDAERO [NH3+]Cc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000037698865 181485454 /nfs/dbraw/zinc/48/54/54/181485454.db2.gz JEFYKMGZQMJPNS-OLZOCXBDSA-N 1 0 221.300 1.828 10 0 BDAERO [NH3+]Cc1cccnc1SC1CCOCC1 ZINC000062055129 181490139 /nfs/dbraw/zinc/49/01/39/181490139.db2.gz INFWXFRURSJFLN-UHFFFAOYSA-N 1 0 224.329 1.811 10 0 BDAERO CC(C)[C@H]1CN(C(=O)C2CC(C)C2)CC[NH2+]1 ZINC000621155134 370126900 /nfs/dbraw/zinc/12/69/00/370126900.db2.gz ZQCCLLBOUINPLU-HTAVTVPLSA-N 1 0 224.348 1.489 10 0 BDAERO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]CCSC ZINC000310004661 370287969 /nfs/dbraw/zinc/28/79/69/370287969.db2.gz GCYUUQDXPBDXQT-RYUDHWBXSA-N 1 0 244.404 1.586 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623768513 370335710 /nfs/dbraw/zinc/33/57/10/370335710.db2.gz YMUWVIMHMQCBDZ-GXTWGEPZSA-N 1 0 246.310 1.407 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623768515 370335822 /nfs/dbraw/zinc/33/58/22/370335822.db2.gz YMUWVIMHMQCBDZ-OCCSQVGLSA-N 1 0 246.310 1.407 10 0 BDAERO CC1CC(CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000621672387 370422760 /nfs/dbraw/zinc/42/27/60/370422760.db2.gz CYFCZSIQMULSQY-HTAVTVPLSA-N 1 0 224.348 1.681 10 0 BDAERO CCN1CCO[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000113267020 370397366 /nfs/dbraw/zinc/39/73/66/370397366.db2.gz WRHKVQTZGLKNFB-OAHLLOKOSA-N 1 0 248.370 1.805 10 0 BDAERO COCCOCCOc1cccc2c1C[NH2+]C2 ZINC000113704613 370456253 /nfs/dbraw/zinc/45/62/53/370456253.db2.gz XOTHXKPESIZGAG-UHFFFAOYSA-N 1 0 237.299 1.332 10 0 BDAERO Cc1cc(CN(C)[C@@H]2CCC[NH2+]CC2)ccn1 ZINC000621775217 370521214 /nfs/dbraw/zinc/52/12/14/370521214.db2.gz IVEIOWZYTCHNGU-CQSZACIVSA-N 1 0 233.359 1.964 10 0 BDAERO C[C@H]1CN(Cc2cncc(Cl)c2)C[C@H]1[NH3+] ZINC000621776037 370524255 /nfs/dbraw/zinc/52/42/55/370524255.db2.gz AKQDFPVLWONMLT-GZMMTYOYSA-N 1 0 225.723 1.514 10 0 BDAERO O=C(c1cscc1Br)C1C[NH2+]C1 ZINC000226537588 370591309 /nfs/dbraw/zinc/59/13/09/370591309.db2.gz PDHWSSNNVWIWRJ-UHFFFAOYSA-N 1 0 246.129 1.913 10 0 BDAERO COc1cc(C2=CCC[N@H+](C)C2)ccc1N ZINC000118293668 371008686 /nfs/dbraw/zinc/00/86/86/371008686.db2.gz FSGANSVQVXPOCU-UHFFFAOYSA-N 1 0 218.300 1.996 10 0 BDAERO [NH3+]Cc1nnnn1-c1cccc(Cl)c1Cl ZINC000054744616 181508224 /nfs/dbraw/zinc/50/82/24/181508224.db2.gz GYBKXABGCDXWES-UHFFFAOYSA-N 1 0 244.085 1.428 10 0 BDAERO C[S@](=O)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378669999 371014078 /nfs/dbraw/zinc/01/40/78/371014078.db2.gz JELKHRDQMTYBSS-MIJXAVMKSA-N 1 0 215.362 1.533 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2C[C@H]2CO)c1C ZINC000378751141 371019598 /nfs/dbraw/zinc/01/95/98/371019598.db2.gz UWSOWQCNYNKSQQ-QWHCGFSZSA-N 1 0 205.301 1.774 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000623763688 371086081 /nfs/dbraw/zinc/08/60/81/371086081.db2.gz JVBBPZNYLKHQNQ-RYUDHWBXSA-N 1 0 225.263 1.065 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000623763854 371086306 /nfs/dbraw/zinc/08/63/06/371086306.db2.gz SNZSFWZPKACZEX-NEPJUHHUSA-N 1 0 243.253 1.204 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000623765973 371086437 /nfs/dbraw/zinc/08/64/37/371086437.db2.gz ZZOHGIUNJQYZQF-NWDGAFQWSA-N 1 0 241.718 1.579 10 0 BDAERO c1cc(CN(C[C@H]2CCC[NH2+]2)C2CC2)n[nH]1 ZINC000328646201 371133751 /nfs/dbraw/zinc/13/37/51/371133751.db2.gz SMZVEZLCIJIBKR-SNVBAGLBSA-N 1 0 220.320 1.126 10 0 BDAERO COC(=O)c1ccc(N2CCC[C@H]([NH3+])C2)nc1C ZINC000124429760 371189686 /nfs/dbraw/zinc/18/96/86/371189686.db2.gz SMQXVNDFWWYLMB-JTQLQIEISA-N 1 0 249.314 1.104 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@H]1CCCCO1 ZINC000623978004 371212963 /nfs/dbraw/zinc/21/29/63/371212963.db2.gz GTUCTIAGSJTHLX-FIQHERPVSA-N 1 0 240.347 1.201 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cccn1C1CC1 ZINC000038048794 181576099 /nfs/dbraw/zinc/57/60/99/181576099.db2.gz XNONYXFRDNAFCQ-VXGBXAGGSA-N 1 0 247.342 1.823 10 0 BDAERO OCCN1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000390797410 371236143 /nfs/dbraw/zinc/23/61/43/371236143.db2.gz UBCYAGWYMTYOJN-LBPRGKRZSA-N 1 0 240.372 1.294 10 0 BDAERO N#Cc1csc(C[NH2+][C@@H]2CCC[C@H](O)C2)n1 ZINC000390797491 371236299 /nfs/dbraw/zinc/23/62/99/371236299.db2.gz UDUUCDRTPWTFMC-SCZZXKLOSA-N 1 0 237.328 1.408 10 0 BDAERO [NH3+][C@H]1CC[C@H](Nc2ccnc(Cl)n2)CC1 ZINC000100267854 181592536 /nfs/dbraw/zinc/59/25/36/181592536.db2.gz XXNHZBQAIOYZJK-OCAPTIKFSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@H](CCc1ccccc1)c1ncon1 ZINC000061625799 181616022 /nfs/dbraw/zinc/61/60/22/181616022.db2.gz OGYMATWVGCAPCG-SNVBAGLBSA-N 1 0 203.245 1.702 10 0 BDAERO [NH3+][C@H](Cc1ccncc1)CC1CCOCC1 ZINC000060708888 181627399 /nfs/dbraw/zinc/62/73/99/181627399.db2.gz UJKSZIGKNIXUQZ-CYBMUJFWSA-N 1 0 220.316 1.768 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cncc(F)c1 ZINC000169242653 181640875 /nfs/dbraw/zinc/64/08/75/181640875.db2.gz LGCJLFGRVVWTFA-QWRGUYRKSA-N 1 0 237.278 1.220 10 0 BDAERO C[C@@H]([NH2+]CC1CC(O)C1)[C@@H]1CCCCO1 ZINC000624210425 371396841 /nfs/dbraw/zinc/39/68/41/371396841.db2.gz LTXRLIDSCFSQKG-YYJSSNLHSA-N 1 0 213.321 1.305 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)s1 ZINC000624235732 371420528 /nfs/dbraw/zinc/42/05/28/371420528.db2.gz OMVHBZQPIDHNPD-GARJFASQSA-N 1 0 241.356 1.857 10 0 BDAERO C[NH+](C)C[C@@H](NCc1cn[nH]c1)c1ccccc1 ZINC000624212246 371400027 /nfs/dbraw/zinc/40/00/27/371400027.db2.gz YJSNBMUGRKHGKU-CQSZACIVSA-N 1 0 244.342 1.802 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccc(O)c1 ZINC000624237530 371421587 /nfs/dbraw/zinc/42/15/87/371421587.db2.gz ZHDCGACZWFJVRO-XDTLVQLUSA-N 1 0 237.299 1.193 10 0 BDAERO C[C@H](Cc1cccs1)[NH2+][C@H]1CCOC[C@H]1O ZINC000624235143 371422609 /nfs/dbraw/zinc/42/26/09/371422609.db2.gz FJARTGFJHCNNGG-ADEWGFFLSA-N 1 0 241.356 1.419 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccs1 ZINC000624235263 371422928 /nfs/dbraw/zinc/42/29/28/371422928.db2.gz HLFMUBKNFOUPPV-LPEHRKFASA-N 1 0 227.329 1.549 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1cccs1 ZINC000624235274 371422947 /nfs/dbraw/zinc/42/29/47/371422947.db2.gz HSZZJFFSLFFXFE-DCAQKATOSA-N 1 0 241.356 1.939 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccsc1 ZINC000624239959 371428739 /nfs/dbraw/zinc/42/87/39/371428739.db2.gz XZVHUHOFOXPPPG-SDDRHHMPSA-N 1 0 241.356 1.939 10 0 BDAERO [NH3+][C@@H]1CC[C@@](O)(C(F)(F)Br)C1 ZINC000225658236 371563320 /nfs/dbraw/zinc/56/33/20/371563320.db2.gz JWAKJQMKBMAPQC-UHNVWZDZSA-N 1 0 230.052 1.216 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1OCc1cncs1 ZINC000131487630 371609651 /nfs/dbraw/zinc/60/96/51/371609651.db2.gz UERDFUNPHPUESU-UWVGGRQHSA-N 1 0 212.318 1.930 10 0 BDAERO CCc1csc(O[C@H]2CCC[C@@H]2[NH3+])n1 ZINC000131585922 371629386 /nfs/dbraw/zinc/62/93/86/371629386.db2.gz PCPJLBACQWTYNQ-IUCAKERBSA-N 1 0 212.318 1.964 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1Oc1ccc(Cl)nn1 ZINC000131672343 371646940 /nfs/dbraw/zinc/64/69/40/371646940.db2.gz NJGQCJNJRPGUJR-RQJHMYQMSA-N 1 0 213.668 1.389 10 0 BDAERO CNc1[nH+]c(NN)c(Cl)cc1Cl ZINC000226648958 371714939 /nfs/dbraw/zinc/71/49/39/371714939.db2.gz ZJZPMGFBCDHPSH-UHFFFAOYSA-N 1 0 207.064 1.716 10 0 BDAERO Cc1cc(C(=O)[C@H]2CC[C@H](C[NH3+])O2)cs1 ZINC000226650959 371717966 /nfs/dbraw/zinc/71/79/66/371717966.db2.gz FFNGZUMYHGZESN-NXEZZACHSA-N 1 0 225.313 1.746 10 0 BDAERO Cc1cc(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cs1 ZINC000226650954 371718265 /nfs/dbraw/zinc/71/82/65/371718265.db2.gz FFNGZUMYHGZESN-ZJUUUORDSA-N 1 0 225.313 1.746 10 0 BDAERO [NH3+]CC1(C(=O)c2c(F)cccc2F)CC1 ZINC000226796120 371744848 /nfs/dbraw/zinc/74/48/48/371744848.db2.gz NSKWSBNFTYORKC-UHFFFAOYSA-N 1 0 211.211 1.886 10 0 BDAERO Cc1cccc([S@](=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000227049974 371773748 /nfs/dbraw/zinc/77/37/48/371773748.db2.gz KTQPAGDBBCDGFS-PKFCDNJMSA-N 1 0 211.330 1.838 10 0 BDAERO CC(C)CC(=O)[C@H]1C[N@H+](C)CCCN1C ZINC000132257275 371777430 /nfs/dbraw/zinc/77/74/30/371777430.db2.gz ZQZILVQVTCOTJV-LLVKDONJSA-N 1 0 212.337 1.238 10 0 BDAERO C[C@@H]1NCC[N@H+](C[Si](C)(C)C)[C@H]1C ZINC000401799136 371820501 /nfs/dbraw/zinc/82/05/01/371820501.db2.gz MDTSCKLKAGOWET-UWVGGRQHSA-N 1 0 200.402 1.546 10 0 BDAERO C[C@H]1CNCC[N@H+](C[Si](C)(C)C)C1 ZINC000401807134 371821207 /nfs/dbraw/zinc/82/12/07/371821207.db2.gz QZACIXDIFIGWCJ-JTQLQIEISA-N 1 0 200.402 1.405 10 0 BDAERO C[C@H]1C[NH2+]C[C@](F)(c2ccsn2)C1 ZINC000401826272 371822305 /nfs/dbraw/zinc/82/23/05/371822305.db2.gz DISFPDMHANBSQG-APPZFPTMSA-N 1 0 200.282 1.937 10 0 BDAERO O=C1CCCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000227343615 371840291 /nfs/dbraw/zinc/84/02/91/371840291.db2.gz BZGOWTAIUAMUKP-GHMZBOCLSA-N 1 0 211.305 1.202 10 0 BDAERO [NH3+]C[C@@]1(c2cccc(Cl)c2)C[C@H]1CO ZINC000132845335 371935548 /nfs/dbraw/zinc/93/55/48/371935548.db2.gz JJYKPERKRHXLAM-GXSJLCMTSA-N 1 0 211.692 1.549 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])[C@@H]1CCCCS1(=O)=O ZINC000132868354 371939637 /nfs/dbraw/zinc/93/96/37/371939637.db2.gz BWAODFLKHUWTFX-GUBZILKMSA-N 1 0 219.350 1.327 10 0 BDAERO Cn1nccc1[C@H]([NH3+])[C@@]1(C)CCCS1 ZINC000163018370 371911160 /nfs/dbraw/zinc/91/11/60/371911160.db2.gz PNAKKMQYARHHHH-VHSXEESVSA-N 1 0 211.334 1.706 10 0 BDAERO Cc1csc(N2C[C@H]([NH3+])C[C@H](C)C2)n1 ZINC000227691445 371922328 /nfs/dbraw/zinc/92/23/28/371922328.db2.gz FDWMNHZXPDCTSO-IONNQARKSA-N 1 0 211.334 1.625 10 0 BDAERO C[C@@H]1CN(c2nc(Cl)cs2)[C@@H](C)C[NH2+]1 ZINC000163101986 371929189 /nfs/dbraw/zinc/92/91/89/371929189.db2.gz UXHZTFMHBWFFIY-RQJHMYQMSA-N 1 0 231.752 1.983 10 0 BDAERO CS[C@H](C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000163273469 371964180 /nfs/dbraw/zinc/96/41/80/371964180.db2.gz XCRPBJYHCVUMIM-BBBLOLIVSA-N 1 0 230.377 1.229 10 0 BDAERO [NH2+]=C1N[C@H](c2sccc2Br)CO1 ZINC000228023571 371978846 /nfs/dbraw/zinc/97/88/46/371978846.db2.gz MLWZWMJIIDXBKN-YFKPBYRVSA-N 1 0 247.117 1.897 10 0 BDAERO Cc1cnc(NC2C[NH2+]C2)c(Br)c1 ZINC000163494232 372003137 /nfs/dbraw/zinc/00/31/37/372003137.db2.gz HGHXPNCAVIRRAX-UHFFFAOYSA-N 1 0 242.120 1.536 10 0 BDAERO CCCC[C@@H](C(=O)OC)N1CC[C@@H]([NH+](C)C)C1 ZINC000227883057 371955113 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/nfs/dbraw/zinc/01/61/79/169016179.db2.gz XZFFXPWZADNAIZ-ZPPKWKGLSA-N 1 0 203.351 1.805 10 0 BDAERO OC[C@@H]1[NH2+]CCc2ccc(Br)cc21 ZINC000083705904 183131074 /nfs/dbraw/zinc/13/10/74/183131074.db2.gz GMGDYNCOIUJSST-JTQLQIEISA-N 1 0 242.116 1.628 10 0 BDAERO OC[C@@H]1[NH2+]CCc2cc(Cl)c(O)cc21 ZINC000075796436 183131292 /nfs/dbraw/zinc/13/12/92/183131292.db2.gz OVQHRMCWXJZTNC-VIFPVBQESA-N 1 0 213.664 1.225 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000165678815 183148530 /nfs/dbraw/zinc/14/85/30/183148530.db2.gz UCBQIDVPYGBHAB-VXGBXAGGSA-N 1 0 208.305 1.655 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cscn1 ZINC000164266931 183148563 /nfs/dbraw/zinc/14/85/63/183148563.db2.gz OSNQVQIISQTKNX-MWLCHTKSSA-N 1 0 226.345 1.784 10 0 BDAERO OC[C@H]1[NH2+]CCc2cc(Br)ccc21 ZINC000083692714 183156555 /nfs/dbraw/zinc/15/65/55/183156555.db2.gz LOVVRDCDWZVFDR-SNVBAGLBSA-N 1 0 242.116 1.628 10 0 BDAERO CCCN(C(=O)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000037470234 169040888 /nfs/dbraw/zinc/04/08/88/169040888.db2.gz CGDUVEAVXLRUGF-NSHDSACASA-N 1 0 210.321 1.387 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)COc1ccccc1Cl ZINC000032099991 183178421 /nfs/dbraw/zinc/17/84/21/183178421.db2.gz XUCTWXMKRSBWHV-JTQLQIEISA-N 1 0 241.718 1.832 10 0 BDAERO CCCN(C(C)C)[C@H]1COCC[C@@H]1[NH3+] ZINC000036305395 169048794 /nfs/dbraw/zinc/04/87/94/169048794.db2.gz BAHNGKGZYRNBMS-QWRGUYRKSA-N 1 0 200.326 1.223 10 0 BDAERO O[C@@H](COc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000034246849 183181815 /nfs/dbraw/zinc/18/18/15/183181815.db2.gz XYXMJNFELPKDTE-OLZOCXBDSA-N 1 0 221.300 1.568 10 0 BDAERO O[C@@H](CCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000071521965 183174241 /nfs/dbraw/zinc/17/42/41/183174241.db2.gz DYSCYQZQXFKBRE-KGLIPLIRSA-N 1 0 219.328 1.980 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000041303079 183186094 /nfs/dbraw/zinc/18/60/94/183186094.db2.gz IIWLEJZOOPNOAZ-FZMZJTMJSA-N 1 0 249.310 1.633 10 0 BDAERO O[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC000071396396 183186203 /nfs/dbraw/zinc/18/62/03/183186203.db2.gz OSSUJQNEICUQGN-QWRGUYRKSA-N 1 0 245.282 1.576 10 0 BDAERO O[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1cccnc1 ZINC000003966370 183186385 /nfs/dbraw/zinc/18/63/85/183186385.db2.gz CKDDUULIRPQPSS-CHWSQXEVSA-N 1 0 218.300 1.079 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000250975092 183187691 /nfs/dbraw/zinc/18/76/91/183187691.db2.gz AQGSAJDMJJERLZ-JHJVBQTASA-N 1 0 225.332 1.820 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccncc1 ZINC000082991805 183187706 /nfs/dbraw/zinc/18/77/06/183187706.db2.gz PMASIUCZKNGNRX-CHWSQXEVSA-N 1 0 220.316 1.722 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000080774168 183187817 /nfs/dbraw/zinc/18/78/17/183187817.db2.gz UJPYTEKPRJUWJY-VXGBXAGGSA-N 1 0 208.305 1.655 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000051769860 183190020 /nfs/dbraw/zinc/19/00/20/183190020.db2.gz ROAMHHYVBVCDLY-ZIAGYGMSSA-N 1 0 235.327 1.959 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000037490749 183190043 /nfs/dbraw/zinc/19/00/43/183190043.db2.gz SJSVKMPIYVXGHR-CHWSQXEVSA-N 1 0 220.316 1.517 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000300230766 183195015 /nfs/dbraw/zinc/19/50/15/183195015.db2.gz DFUYHBDEQNBPIF-GMTAPVOTSA-N 1 0 215.362 1.490 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000084227933 183195471 /nfs/dbraw/zinc/19/54/71/183195471.db2.gz WNZUHUGTGTUICP-VXGBXAGGSA-N 1 0 206.289 1.332 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000049181100 183195509 /nfs/dbraw/zinc/19/55/09/183195509.db2.gz IMYGKJUUHSDTLG-WDEREUQCSA-N 1 0 211.330 1.794 10 0 BDAERO O[C@H](C[NH2+]C1CC1)c1ccc2c(c1)OCCO2 ZINC000033465345 183223218 /nfs/dbraw/zinc/22/32/18/183223218.db2.gz OUNOIEZMABHHCK-LLVKDONJSA-N 1 0 235.283 1.243 10 0 BDAERO CCC[N@H+](CC(=O)NCC)Cc1ccccc1N ZINC000035064696 169096270 /nfs/dbraw/zinc/09/62/70/169096270.db2.gz IYXGRMOPXOQSAF-UHFFFAOYSA-N 1 0 249.358 1.617 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1F ZINC000037490165 183238046 /nfs/dbraw/zinc/23/80/46/183238046.db2.gz YHVHUGURPJPWFZ-NEPJUHHUSA-N 1 0 209.264 1.829 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccncc1 ZINC000084224600 183238389 /nfs/dbraw/zinc/23/83/89/183238389.db2.gz XKIJVBNFTJIPIL-RYUDHWBXSA-N 1 0 206.289 1.332 10 0 BDAERO O[C@H]1CC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000306931441 183239434 /nfs/dbraw/zinc/23/94/34/183239434.db2.gz BVNXALVHEFCIGI-IUCAKERBSA-N 1 0 205.248 1.488 10 0 BDAERO O[C@H]1CC[NH2+]C[C@@H]1Cc1c(F)cccc1Cl ZINC000071558151 183241378 /nfs/dbraw/zinc/24/13/78/183241378.db2.gz KAKBDWRMNZICBS-UFBFGSQYSA-N 1 0 243.709 1.992 10 0 BDAERO O[C@]12CCCC[C@@H]1C[N@H+](CCc1cn[nH]c1)CC2 ZINC000310989082 183252616 /nfs/dbraw/zinc/25/26/16/183252616.db2.gz VFBGJFNUTOHMHV-KGLIPLIRSA-N 1 0 249.358 1.579 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000038045294 183232769 /nfs/dbraw/zinc/23/27/69/183232769.db2.gz BBXSIPRAQQPRLG-TUAOUCFPSA-N 1 0 213.321 1.306 10 0 BDAERO O[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000085576451 183234391 /nfs/dbraw/zinc/23/43/91/183234391.db2.gz SKNHKZRADAGNQL-STQMWFEESA-N 1 0 217.312 1.783 10 0 BDAERO CCCN(CC(F)(F)F)C(=O)[C@H]1CC[NH2+]C1 ZINC000062114946 169106762 /nfs/dbraw/zinc/10/67/62/169106762.db2.gz WHLIZWIOLJJSFW-QMMMGPOBSA-N 1 0 238.253 1.397 10 0 BDAERO Oc1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019945975 183271070 /nfs/dbraw/zinc/27/10/70/183271070.db2.gz KDKKMKXTSYKGEY-AWEZNQCLSA-N 1 0 232.327 1.576 10 0 BDAERO Oc1ccc2c(c1F)OCC21CC[NH2+]CC1 ZINC000113563164 183282462 /nfs/dbraw/zinc/28/24/62/183282462.db2.gz SMSUEQQQNSMYBJ-UHFFFAOYSA-N 1 0 223.247 1.545 10 0 BDAERO CCCN(CC[NH3+])c1ccccc1OC ZINC000076584575 169157758 /nfs/dbraw/zinc/15/77/58/169157758.db2.gz DXOJBLHMRFOTTO-UHFFFAOYSA-N 1 0 208.305 1.870 10 0 BDAERO CCC[N@H+](CCN(C)C)C[C@@H]1CCCC[C@@H]1O ZINC000053923419 169157941 /nfs/dbraw/zinc/15/79/41/169157941.db2.gz MBCWSZDDDIKNNW-KBPBESRZSA-N 1 0 242.407 1.811 10 0 BDAERO Oc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1COCCO1 ZINC000038060840 183295561 /nfs/dbraw/zinc/29/55/61/183295561.db2.gz DGYIRPVJFAYGPX-GWCFXTLKSA-N 1 0 249.310 1.385 10 0 BDAERO Oc1cccnc1OCCCC1CC[NH2+]CC1 ZINC000095073860 183305290 /nfs/dbraw/zinc/30/52/90/183305290.db2.gz DAGAXPWGPJZQPG-UHFFFAOYSA-N 1 0 236.315 1.946 10 0 BDAERO CCCN1C(=O)C[C@@H]([NH2+][C@@H]2CCC[C@@H]2C)C1=O ZINC000071207050 169184364 /nfs/dbraw/zinc/18/43/64/169184364.db2.gz CVXKPLOESMJXBF-HBNTYKKESA-N 1 0 238.331 1.302 10 0 BDAERO CCCN1C(=O)C[C@@H]([NH2+]CCCC(C)C)C1=O ZINC000103120796 169184377 /nfs/dbraw/zinc/18/43/77/169184377.db2.gz AZYHPCHUGWTLPS-LLVKDONJSA-N 1 0 240.347 1.550 10 0 BDAERO CCC[NH+]1CCC(Nc2ccc(N)nc2)CC1 ZINC000049554939 169189703 /nfs/dbraw/zinc/18/97/03/169189703.db2.gz MFVQCSZQTBGOGZ-UHFFFAOYSA-N 1 0 234.347 1.950 10 0 BDAERO CCC[NH+]1CCC([NH2+][C@H](C)CC)(C(=O)[O-])CC1 ZINC000038065827 169190374 /nfs/dbraw/zinc/19/03/74/169190374.db2.gz ZOQJNRVRUFHJNJ-LLVKDONJSA-N 1 0 242.363 1.704 10 0 BDAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C(=O)[O-])C1 ZINC000049355960 169194162 /nfs/dbraw/zinc/19/41/62/169194162.db2.gz GIICBMOASSHYPM-GRYCIOLGSA-N 1 0 242.363 1.560 10 0 BDAERO c1sc(N2CC[NH2+]CC2)nc1-c1ccncc1 ZINC000044494097 183328622 /nfs/dbraw/zinc/32/86/22/183328622.db2.gz ZFJSJXQRFVKVOV-UHFFFAOYSA-N 1 0 246.339 1.615 10 0 BDAERO c1cnc2[nH]c(NC3CC[NH2+]CC3)nc2c1 ZINC000034613861 183329474 /nfs/dbraw/zinc/32/94/74/183329474.db2.gz GJSYDLQEDRMJPU-UHFFFAOYSA-N 1 0 217.276 1.073 10 0 BDAERO CCC[N@@H+]1CCC[C@H]2Cc3n[nH]cc3C[C@@H]21 ZINC000008584335 169201035 /nfs/dbraw/zinc/20/10/35/169201035.db2.gz FTSUPYGMFAPCFZ-GWCFXTLKSA-N 1 0 219.332 1.999 10 0 in-vitro BDAERO CCC[NH+]1CCN(C[C@@]2(CC)CC[NH2+]C2)CC1 ZINC000062910951 169202754 /nfs/dbraw/zinc/20/27/54/169202754.db2.gz VMNFFISAHVGMTQ-AWEZNQCLSA-N 1 0 239.407 1.404 10 0 BDAERO CCC[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892407 169204147 /nfs/dbraw/zinc/20/41/47/169204147.db2.gz RIIZTIOJEFCGPL-LBPRGKRZSA-N 1 0 223.320 1.302 10 0 BDAERO CCCNC(=O)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555983 169228645 /nfs/dbraw/zinc/22/86/45/169228645.db2.gz HPDKPVYVCKKALR-GFCCVEGCSA-N 1 0 243.395 1.079 10 0 BDAERO CCCNC(=O)C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000020055258 169228803 /nfs/dbraw/zinc/22/88/03/169228803.db2.gz WMWZOMRZESEETN-WOPDTQHZSA-N 1 0 226.364 1.927 10 0 BDAERO CCCNC(=O)COc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798834 169232031 /nfs/dbraw/zinc/23/20/31/169232031.db2.gz FZKMOVQFLNDSIQ-LBPRGKRZSA-N 1 0 248.326 1.538 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1cccs1 ZINC000057517458 169232246 /nfs/dbraw/zinc/23/22/46/169232246.db2.gz PHAQYRMCQSGVQN-SECBINFHSA-N 1 0 226.345 1.707 10 0 BDAERO CCCN1CCN(c2cccccc2=O)CC1 ZINC000028002630 169205992 /nfs/dbraw/zinc/20/59/92/169205992.db2.gz UDHRDAIHPPYHMD-UHFFFAOYSA-N 1 0 232.327 1.579 10 0 BDAERO CCCN1CCc2nc(C[NH2+]C)sc2C1 ZINC000053294029 169209157 /nfs/dbraw/zinc/20/91/57/169209157.db2.gz VHUJYSAXEBUIMP-UHFFFAOYSA-N 1 0 225.361 1.631 10 0 BDAERO CCCN1CCc2nc(C[NH3+])sc2C1 ZINC000019817746 169209284 /nfs/dbraw/zinc/20/92/84/169209284.db2.gz RQCTUDQZAXXBBD-UHFFFAOYSA-N 1 0 211.334 1.370 10 0 BDAERO c1cc(C[NH2+][C@H]2CN3CCC2CC3)cs1 ZINC000019946333 183354080 /nfs/dbraw/zinc/35/40/80/183354080.db2.gz HJHRWMPUNMESKC-LBPRGKRZSA-N 1 0 222.357 1.932 10 0 BDAERO c1cc(COCC[C@H]2CCC[NH2+]C2)ccn1 ZINC000051917655 183354934 /nfs/dbraw/zinc/35/49/34/183354934.db2.gz NUDKUXMMLJCFDG-GFCCVEGCSA-N 1 0 220.316 1.988 10 0 BDAERO CCC[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@H]23 ZINC000039287372 169256908 /nfs/dbraw/zinc/25/69/08/169256908.db2.gz AEQAHOSOCKPKPG-FZMZJTMJSA-N 1 0 244.338 1.639 10 0 BDAERO c1cc(C[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000070627890 183369300 /nfs/dbraw/zinc/36/93/00/183369300.db2.gz QZSBPGZVEQWFSG-NSHDSACASA-N 1 0 203.285 1.774 10 0 BDAERO CCC[NH2+]CC[C@H](O)c1ccc2c(c1)OCO2 ZINC000049828713 169261606 /nfs/dbraw/zinc/26/16/06/169261606.db2.gz FLXBJYXFGVNBFA-NSHDSACASA-N 1 0 237.299 1.838 10 0 BDAERO c1cc(OCC2CC[NH2+]CC2)cc2c1OCO2 ZINC000019843681 183370507 /nfs/dbraw/zinc/37/05/07/183370507.db2.gz YMEGCUDFIUSMDP-UHFFFAOYSA-N 1 0 235.283 1.794 10 0 BDAERO c1cc(OCC[NH2+]C2CC2)cc2c1OCO2 ZINC000020525448 183370566 /nfs/dbraw/zinc/37/05/66/183370566.db2.gz MUCCJFKXQWLUCR-UHFFFAOYSA-N 1 0 221.256 1.546 10 0 BDAERO CCCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917498 169234286 /nfs/dbraw/zinc/23/42/86/169234286.db2.gz VSMSUPMROJUXMK-NEPJUHHUSA-N 1 0 239.363 1.570 10 0 BDAERO c1cc2c(s1)CCN(C[C@@H]1CCC[NH2+]1)C2 ZINC000020072112 183373941 /nfs/dbraw/zinc/37/39/41/183373941.db2.gz CTXVCKILBDADJG-NSHDSACASA-N 1 0 222.357 1.858 10 0 BDAERO CCCNC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000036263644 169238273 /nfs/dbraw/zinc/23/82/73/169238273.db2.gz PEXIPKTVYGEYCA-SNVBAGLBSA-N 1 0 225.336 1.370 10 0 BDAERO CCCNC(=O)[C@@H](C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049203045 169242587 /nfs/dbraw/zinc/24/25/87/169242587.db2.gz IVCJPVJOLOVGFR-WOPDTQHZSA-N 1 0 242.363 1.184 10 0 BDAERO c1ccc(-c2nnc(CC[NH2+]C3CC3)o2)nc1 ZINC000050620499 183383833 /nfs/dbraw/zinc/38/38/33/183383833.db2.gz AOHRFNNDVKGUKP-UHFFFAOYSA-N 1 0 230.271 1.426 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1ccccc1OC ZINC000032012200 169262768 /nfs/dbraw/zinc/26/27/68/169262768.db2.gz FGZVDPYEWIQQOX-LLVKDONJSA-N 1 0 209.289 1.728 10 0 BDAERO CCCNC(=O)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000098091498 169251842 /nfs/dbraw/zinc/25/18/42/169251842.db2.gz HSRLHUMODGJSCO-CYBMUJFWSA-N 1 0 248.326 1.567 10 0 BDAERO c1nn(-c2ccccc2)cc1C1=[NH+]CCN1 ZINC000073168978 183386666 /nfs/dbraw/zinc/38/66/66/183386666.db2.gz XRLUTFWKMQEVFZ-UHFFFAOYSA-N 1 0 212.256 1.222 10 0 BDAERO CCCN[C@H](CC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000062444972 169289408 /nfs/dbraw/zinc/28/94/08/169289408.db2.gz WPCGSQUCIQEFKS-NWDGAFQWSA-N 1 0 244.379 1.648 10 0 BDAERO CCC[NH2+]C[C@@H]1Cc2ccccc2CN1 ZINC000040398000 169263153 /nfs/dbraw/zinc/26/31/53/169263153.db2.gz ZJIDNSUMNZHBCH-ZDUSSCGKSA-N 1 0 204.317 1.701 10 0 BDAERO CCC[NH2+]C[C@@](C)(O)c1ccccc1OC ZINC000032014582 169263539 /nfs/dbraw/zinc/26/35/39/169263539.db2.gz TZASWQRRAADDQF-CYBMUJFWSA-N 1 0 223.316 1.902 10 0 BDAERO CCC[NH2+]Cc1cc(F)ccc1N(C)CCO ZINC000037899539 169265838 /nfs/dbraw/zinc/26/58/38/169265838.db2.gz MPGFYPDGEDQXTH-UHFFFAOYSA-N 1 0 240.322 1.754 10 0 BDAERO c1ccc(C[N@@H+]2CCC[C@]3(COCCN3)C2)cc1 ZINC000096964517 183398198 /nfs/dbraw/zinc/39/81/98/183398198.db2.gz HFYRDSOICUEMSV-OAHLLOKOSA-N 1 0 246.354 1.641 10 0 BDAERO CCC[NH2+][C@@H]1CCN(CCc2ccccn2)C1 ZINC000037635781 169282298 /nfs/dbraw/zinc/28/22/98/169282298.db2.gz HHXKDTRVPYEUDG-CQSZACIVSA-N 1 0 233.359 1.698 10 0 BDAERO CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000049647561 169282319 /nfs/dbraw/zinc/28/23/19/169282319.db2.gz YLYQOXNMJWQBGK-CYBMUJFWSA-N 1 0 232.327 1.787 10 0 BDAERO CCC[NH2+][C@@H]1CCCc2nc(N)ncc21 ZINC000050101038 169282474 /nfs/dbraw/zinc/28/24/74/169282474.db2.gz UIRFBBHHDDSMKK-SECBINFHSA-N 1 0 206.293 1.436 10 0 BDAERO CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C1=O ZINC000049648529 169283125 /nfs/dbraw/zinc/28/31/25/169283125.db2.gz KSAANUOZINHCGH-GFCCVEGCSA-N 1 0 233.315 1.182 10 0 BDAERO CCCOCCC(=O)NC[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000054434679 169308847 /nfs/dbraw/zinc/30/88/47/169308847.db2.gz BXRVKGRTBDSGNF-RYUDHWBXSA-N 1 0 242.363 1.450 10 0 BDAERO CCC[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000049647778 169292150 /nfs/dbraw/zinc/29/21/50/169292150.db2.gz ILHPTWKQVUEGRC-LBPRGKRZSA-N 1 0 224.348 1.920 10 0 BDAERO CCCN[C@]1(C(=O)OCC)CC[N@@H+](C2CC2)C1 ZINC000061991287 169293400 /nfs/dbraw/zinc/29/34/00/169293400.db2.gz ALQIOQNCOMPEFS-CYBMUJFWSA-N 1 0 240.347 1.156 10 0 BDAERO CCCOc1ccc(OC[C@H](O)C[NH2+]C)cc1 ZINC000034957288 169320634 /nfs/dbraw/zinc/32/06/34/169320634.db2.gz HOBPVYKOUPKMSJ-LLVKDONJSA-N 1 0 239.315 1.435 10 0 BDAERO CCCOc1ccc([C@H]([NH3+])Cn2cncn2)cc1 ZINC000019260438 169322315 /nfs/dbraw/zinc/32/23/15/169322315.db2.gz ZIJGLOLRVAPYLK-CYBMUJFWSA-N 1 0 246.314 1.767 10 0 BDAERO c1ccc2c(c1)snc2[C@@H]1C[NH2+]CCN1 ZINC000022116708 183440055 /nfs/dbraw/zinc/44/00/55/183440055.db2.gz YCXYNGDEQWIKTP-VIFPVBQESA-N 1 0 219.313 1.530 10 0 BDAERO CCCOc1cccc(C[NH2+]CCC(N)=O)c1 ZINC000038038293 169325535 /nfs/dbraw/zinc/32/55/35/169325535.db2.gz SPUAVEHBKAHARC-UHFFFAOYSA-N 1 0 236.315 1.440 10 0 BDAERO CCC[C@@H](C)NC(=O)CN(CCC[NH3+])C(C)C ZINC000049287590 169367353 /nfs/dbraw/zinc/36/73/53/169367353.db2.gz FDFVPMLDZUVVPE-GFCCVEGCSA-N 1 0 243.395 1.350 10 0 BDAERO CCC[C@@H](C(=O)NCc1ncccc1C)[NH+](C)C ZINC000162021970 169345525 /nfs/dbraw/zinc/34/55/25/169345525.db2.gz CTNHHSKXHMRNOR-ZDUSSCGKSA-N 1 0 249.358 1.737 10 0 BDAERO CCC[C@@H](C)[C@@H](C[NH3+])N1CCn2ccnc2C1 ZINC000062248907 169372620 /nfs/dbraw/zinc/37/26/20/169372620.db2.gz BWWHEUKTVDHJLO-VXGBXAGGSA-N 1 0 236.363 1.462 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000037815446 169388391 /nfs/dbraw/zinc/38/83/91/169388391.db2.gz DFCQKRSUTMPPHX-GRYCIOLGSA-N 1 0 240.347 1.284 10 0 BDAERO CCC[C@@H](C[NH3+])C(=O)NCc1ncccc1C ZINC000071344260 169383064 /nfs/dbraw/zinc/38/30/64/169383064.db2.gz WUGDMCBBZKFQGU-NSHDSACASA-N 1 0 235.331 1.381 10 0 BDAERO CCC[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000076582857 169383447 /nfs/dbraw/zinc/38/34/47/169383447.db2.gz JAFXAPIQVMNJSS-SECBINFHSA-N 1 0 200.326 1.666 10 0 BDAERO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000179208447 134318346 /nfs/dbraw/zinc/31/83/46/134318346.db2.gz GKSIMYWTSDCGRQ-QCNOEVLYSA-N 1 0 240.347 1.044 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)COC2 ZINC000236807667 169392025 /nfs/dbraw/zinc/39/20/25/169392025.db2.gz STQSHTDDFKJDPP-GFCCVEGCSA-N 1 0 234.299 1.783 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)o1 ZINC000037017831 169392258 /nfs/dbraw/zinc/39/22/58/169392258.db2.gz IUDWMOAYWNOXFA-NXEZZACHSA-N 1 0 224.304 1.893 10 0 BDAERO CCC[C@@H]([NH3+])c1nc2ccccc2n1CCO ZINC000019734866 169393862 /nfs/dbraw/zinc/39/38/62/169393862.db2.gz COHAFNRCPIWZPE-SNVBAGLBSA-N 1 0 233.315 1.829 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(-c2ccnn2C)n1 ZINC000061665713 169395121 /nfs/dbraw/zinc/39/51/21/169395121.db2.gz AILNSAKFVVZJFW-SSDOTTSWSA-N 1 0 221.264 1.270 10 0 BDAERO c1csc(OCC[C@H]2CCC[NH2+]C2)n1 ZINC000051918354 183519962 /nfs/dbraw/zinc/51/99/62/183519962.db2.gz KKCSZHAAELAYEF-SECBINFHSA-N 1 0 212.318 1.912 10 0 BDAERO CCC[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000371480879 169494212 /nfs/dbraw/zinc/49/42/12/169494212.db2.gz RRLULBBKXOAGGM-WDEREUQCSA-N 1 0 207.321 1.976 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCc1ccc(O)c(F)c1 ZINC000236880774 169501871 /nfs/dbraw/zinc/50/18/71/169501871.db2.gz PTMUGNAUKZDHIR-JTQLQIEISA-N 1 0 240.278 1.275 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2C[NH3+] ZINC000091305085 166657404 /nfs/dbraw/zinc/65/74/04/166657404.db2.gz XKZNMNKZDDJEEL-HRDYMLBCSA-N 1 0 212.293 1.201 10 0 BDAERO CC(C)(C)OC(=O)N1[C@H]2COC[C@@H]1CC([NH3+])C2 ZINC000095629891 166658206 /nfs/dbraw/zinc/65/82/06/166658206.db2.gz PEAPNBGPRYMRNJ-PBINXNQUSA-N 1 0 242.319 1.112 10 0 BDAERO CCC[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224644855 134349570 /nfs/dbraw/zinc/34/95/70/134349570.db2.gz WKSFDCSZEIKTBI-OPDFLTKYSA-N 1 0 241.375 1.941 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])c1nnc2cnccn21 ZINC000035452296 166695530 /nfs/dbraw/zinc/69/55/30/166695530.db2.gz XJEXHOZGMJSGCY-QMMMGPOBSA-N 1 0 205.265 1.170 10 0 BDAERO CCN(C(=O)Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000104344874 169639017 /nfs/dbraw/zinc/63/90/17/169639017.db2.gz TVVNPTRIQNDGBO-ZDUSSCGKSA-N 1 0 247.342 1.225 10 0 BDAERO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000109430932 166705834 /nfs/dbraw/zinc/70/58/34/166705834.db2.gz RBEFZJFCQBFAMY-GFCCVEGCSA-N 1 0 240.347 1.012 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000226382135 134364730 /nfs/dbraw/zinc/36/47/30/134364730.db2.gz ZTBYJOCBJHJSHB-SDDRHHMPSA-N 1 0 229.389 1.880 10 0 BDAERO COC[C@]1(C(=O)N2CC[C@@H](C)[C@@H]2C)CCC[NH2+]1 ZINC000643730772 383849955 /nfs/dbraw/zinc/84/99/55/383849955.db2.gz BCPMOIIYTQSWMK-MDZLAQPJSA-N 1 0 240.347 1.012 10 0 BDAERO CC[C@@H]1CCN(C(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000643733391 383867380 /nfs/dbraw/zinc/86/73/80/383867380.db2.gz BIRJTRASJOCTRE-DGCLKSJQSA-N 1 0 240.347 1.014 10 0 BDAERO CN(Cc1ccccn1)C[C@H]1CCC[NH2+]1 ZINC000036777707 383911337 /nfs/dbraw/zinc/91/13/37/383911337.db2.gz OAZUWLNDPZXMKB-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO CN(CCc1ccccn1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000097092722 383986300 /nfs/dbraw/zinc/98/63/00/383986300.db2.gz PXSBMKIMJGKJEM-NEPJUHHUSA-N 1 0 247.342 1.210 10 0 BDAERO COCCc1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000050329920 383998552 /nfs/dbraw/zinc/99/85/52/383998552.db2.gz IVBGELMDSJUFQT-SSDOTTSWSA-N 1 0 212.318 1.668 10 0 BDAERO F[C@H]1C[NH2+]CC[C@@H]1c1nccc2[nH]ccc21 ZINC000089220694 383949552 /nfs/dbraw/zinc/94/95/52/383949552.db2.gz GPYLMZSBWKILCQ-WPRPVWTQSA-N 1 0 219.263 1.978 10 0 BDAERO COC[C@]1(C(=O)N2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000643614546 384017797 /nfs/dbraw/zinc/01/77/97/384017797.db2.gz BOLDIXIHKVYLIH-AAEUAGOBSA-N 1 0 240.347 1.014 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CC[C@H]2[NH3+])C1 ZINC000255189737 384023394 /nfs/dbraw/zinc/02/33/94/384023394.db2.gz RSNCULHDYLMJGK-GARJFASQSA-N 1 0 240.347 1.981 10 0 BDAERO CO[C@@H]1CCC[C@H]1NC1=[NH+]CCCS1 ZINC000050375872 384009369 /nfs/dbraw/zinc/00/93/69/384009369.db2.gz MSFDKLZJNHYNFD-RKDXNWHRSA-N 1 0 214.334 1.636 10 0 BDAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000090234917 384039560 /nfs/dbraw/zinc/03/95/60/384039560.db2.gz XQENYWWCKCSWAV-LPWJVIDDSA-N 1 0 226.364 1.482 10 0 BDAERO CCC[C@H](CCO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000634724699 384068936 /nfs/dbraw/zinc/06/89/36/384068936.db2.gz WCINVUXAFVQXEY-GHMZBOCLSA-N 1 0 217.353 1.534 10 0 BDAERO Cn1cc(C[C@H]([NH3+])c2ccsc2)cn1 ZINC000050542441 384078939 /nfs/dbraw/zinc/07/89/39/384078939.db2.gz RSKMVYITSMAQEF-JTQLQIEISA-N 1 0 207.302 1.724 10 0 BDAERO Cc1cc(C)nc(-n2ncc3c2CCC[C@@H]3[NH3+])n1 ZINC000072415656 384104829 /nfs/dbraw/zinc/10/48/29/384104829.db2.gz WWOLDQOFJSRKIV-NSHDSACASA-N 1 0 243.314 1.615 10 0 BDAERO Cc1ccc(C(=O)N[C@@H]([NH3+])C(C)C)cc1 ZINC000039105537 384106804 /nfs/dbraw/zinc/10/68/04/384106804.db2.gz PCIPCTLKWOCDRS-LLVKDONJSA-N 1 0 206.289 1.666 10 0 BDAERO CC(CO)(CO)[NH2+]Cc1ccc(Cl)cc1 ZINC000005902515 384137957 /nfs/dbraw/zinc/13/79/57/384137957.db2.gz MFMULPTYYOSYAG-UHFFFAOYSA-N 1 0 229.707 1.173 10 0 BDAERO CC(C)([NH3+])c1cn(C[C@H]2CCC(F)(F)C2)nn1 ZINC000302378889 384153418 /nfs/dbraw/zinc/15/34/18/384153418.db2.gz IAVFDWXXHOJKLZ-QMMMGPOBSA-N 1 0 244.289 1.907 10 0 BDAERO CCc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)o1 ZINC000091667349 384138438 /nfs/dbraw/zinc/13/84/38/384138438.db2.gz RNXZYXPTOYRPTG-CYBMUJFWSA-N 1 0 238.331 1.262 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCc3ccoc3)C[C@@H]12 ZINC000186924765 384171856 /nfs/dbraw/zinc/17/18/56/384171856.db2.gz BWZWWJVANFVCRA-JHJVBQTASA-N 1 0 248.326 1.408 10 0 BDAERO COC[C@]1(C(=O)NC[C@H](C)C(C)C)CCC[NH2+]1 ZINC000643710301 384170893 /nfs/dbraw/zinc/17/08/93/384170893.db2.gz ZUCPSASHJRVHKC-AAEUAGOBSA-N 1 0 242.363 1.163 10 0 BDAERO CN(Cc1ccccc1)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305266 384204429 /nfs/dbraw/zinc/20/44/29/384204429.db2.gz XNLUAOBZKGUMSD-QWHCGFSZSA-N 1 0 220.316 1.235 10 0 BDAERO [NH3+][C@H]1CCn2c1nc1cc(Cl)ccc1c2=O ZINC000072266478 384204581 /nfs/dbraw/zinc/20/45/81/384204581.db2.gz GJNCQAXGWSHLQK-QMMMGPOBSA-N 1 0 235.674 1.453 10 0 BDAERO CN(Cc1ccccc1)[C@H]1COCC[C@@H]1[NH3+] ZINC000036305269 384204723 /nfs/dbraw/zinc/20/47/23/384204723.db2.gz XNLUAOBZKGUMSD-STQMWFEESA-N 1 0 220.316 1.235 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000227907370 134399069 /nfs/dbraw/zinc/39/90/69/134399069.db2.gz JZSLHBBGCFILGA-FRRDWIJNSA-N 1 0 229.364 1.752 10 0 BDAERO Cc1ncc(C[N@H+]2C[C@H](O)C[C@H](C)C2)s1 ZINC000334744834 384197846 /nfs/dbraw/zinc/19/78/46/384197846.db2.gz ARALDWNUNFNGER-WCBMZHEXSA-N 1 0 226.345 1.654 10 0 BDAERO C[NH2+][C@@H](C)[C@@H](C)N1CCOCC1(C)C ZINC000043916906 384198202 /nfs/dbraw/zinc/19/82/02/384198202.db2.gz XZPYUZRHIVGVOK-VHSXEESVSA-N 1 0 200.326 1.094 10 0 BDAERO Cc1noc(C)c1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282308362 384231032 /nfs/dbraw/zinc/23/10/32/384231032.db2.gz KFIRDCXBBROESG-KCJUWKMLSA-N 1 0 237.303 1.048 10 0 BDAERO CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H]1C)C(C)C ZINC000082559864 384236152 /nfs/dbraw/zinc/23/61/52/384236152.db2.gz NBBGTRDREJKSAV-AXFHLTTASA-N 1 0 212.337 1.393 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCc3cnccn3)C[C@H]2C1 ZINC000402901934 384238592 /nfs/dbraw/zinc/23/85/92/384238592.db2.gz HYTTZMONXCZUGE-OUCADQQQSA-N 1 0 247.342 1.112 10 0 BDAERO COC[C@]1(C(=O)NCCCC(C)C)CCC[NH2+]1 ZINC000643634613 384209220 /nfs/dbraw/zinc/20/92/20/384209220.db2.gz WNOYGPSWSAHVRE-ZDUSSCGKSA-N 1 0 242.363 1.307 10 0 BDAERO CS[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000163273276 384212922 /nfs/dbraw/zinc/21/29/22/384212922.db2.gz XCRPBJYHCVUMIM-OPRDCNLKSA-N 1 0 230.377 1.229 10 0 BDAERO C[C@H](C[NH2+][C@H](C)c1ccccn1)N1CCOCC1 ZINC000158558283 384242553 /nfs/dbraw/zinc/24/25/53/384242553.db2.gz DVHJYDVMMNODAP-CHWSQXEVSA-N 1 0 249.358 1.453 10 0 BDAERO CC[C@@](C)(C[NH2+]CC1CC(O)C1)OC ZINC000319537951 384252575 /nfs/dbraw/zinc/25/25/75/384252575.db2.gz AZCGSXJKNKKTNY-ILDUYXDCSA-N 1 0 201.310 1.162 10 0 BDAERO CC[C@](C)(C[NH2+]CC1CC(O)C1)OC ZINC000319537952 384252633 /nfs/dbraw/zinc/25/26/33/384252633.db2.gz AZCGSXJKNKKTNY-VQXHTEKXSA-N 1 0 201.310 1.162 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2ncc[nH]2)C[C@@H](C)O1 ZINC000282381519 384262649 /nfs/dbraw/zinc/26/26/49/384262649.db2.gz XJSFOOWZMULXES-NXEZZACHSA-N 1 0 223.320 1.703 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000119395062 384267519 /nfs/dbraw/zinc/26/75/19/384267519.db2.gz AQHOOIHGPSNGHT-OAHLLOKOSA-N 1 0 248.370 1.970 10 0 BDAERO CC(=O)NCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000142833318 384313760 /nfs/dbraw/zinc/31/37/60/384313760.db2.gz UDTBIRIGUWPMBN-STQMWFEESA-N 1 0 240.347 1.156 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000044136032 384315731 /nfs/dbraw/zinc/31/57/31/384315731.db2.gz FVXJAQWPWCMEGC-NWDGAFQWSA-N 1 0 219.284 1.553 10 0 BDAERO COC(=O)c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000044135378 384315954 /nfs/dbraw/zinc/31/59/54/384315954.db2.gz XZRHSWHHASZAOL-NSHDSACASA-N 1 0 205.257 1.550 10 0 BDAERO CCC[C@@H](C(=O)N1CCC(C)(O)CC1)[NH+](C)C ZINC000179630699 384319715 /nfs/dbraw/zinc/31/97/15/384319715.db2.gz DPDXTRDRLMVZFT-NSHDSACASA-N 1 0 242.363 1.090 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccco1 ZINC000282453427 384288009 /nfs/dbraw/zinc/28/80/09/384288009.db2.gz VEIPDAZDQAEJMA-UTLUCORTSA-N 1 0 222.288 1.597 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)CCn2cccn2)c1 ZINC000158993355 384296046 /nfs/dbraw/zinc/29/60/46/384296046.db2.gz IFYVEYURQVJCOK-ZDUSSCGKSA-N 1 0 247.346 1.456 10 0 BDAERO Clc1nccc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000095070324 384336772 /nfs/dbraw/zinc/33/67/72/384336772.db2.gz QNKXDGSFBUJYRW-MRVPVSSYSA-N 1 0 226.711 1.684 10 0 BDAERO CN(c1nccc(Cl)n1)[C@@H]1CCC[NH2+]C1 ZINC000095070519 384336862 /nfs/dbraw/zinc/33/68/62/384336862.db2.gz PPMQFKNMLOKUGE-MRVPVSSYSA-N 1 0 226.711 1.318 10 0 BDAERO Clc1cc(S[C@H]2CCC[NH2+]C2)ncn1 ZINC000095070447 384337426 /nfs/dbraw/zinc/33/74/26/384337426.db2.gz XTLPVKXUWLGKHV-ZETCQYMHSA-N 1 0 229.736 1.974 10 0 BDAERO Clc1ccc(CO[C@H]2CCC[NH2+]C2)nn1 ZINC000095070492 384337510 /nfs/dbraw/zinc/33/75/10/384337510.db2.gz HFSYPHAAJJARRE-VIFPVBQESA-N 1 0 227.695 1.399 10 0 BDAERO Cc1ccc(N(C)C[C@H]2CCC[NH2+]C2)nc1 ZINC000095071069 384339065 /nfs/dbraw/zinc/33/90/65/384339065.db2.gz GCWRYAUDKPVCIQ-LBPRGKRZSA-N 1 0 219.332 1.826 10 0 BDAERO CN(CC(=O)c1ccc[nH]1)C[C@H]1CCCC[NH2+]1 ZINC000095070853 384339601 /nfs/dbraw/zinc/33/96/01/384339601.db2.gz MWJGPLMNYYTRRC-LLVKDONJSA-N 1 0 235.331 1.271 10 0 BDAERO CN(Cc1cnc(Cl)s1)C[C@H]1CC[NH2+]C1 ZINC000095071297 384340879 /nfs/dbraw/zinc/34/08/79/384340879.db2.gz AACOUCAXXMHSID-QMMMGPOBSA-N 1 0 245.779 1.838 10 0 BDAERO C[NH2+][C@@H]1CCCN(CC(=O)c2ccco2)C1 ZINC000095071489 384341533 /nfs/dbraw/zinc/34/15/33/384341533.db2.gz WFOVNDHTVFUNCG-SNVBAGLBSA-N 1 0 222.288 1.146 10 0 BDAERO CN(Cc1nccnc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000095071302 384341787 /nfs/dbraw/zinc/34/17/87/384341787.db2.gz ORABWIQFIDYWFL-SECBINFHSA-N 1 0 240.738 1.171 10 0 BDAERO C[NH2+]C1CCN(c2cc(C)nc(Cl)n2)CC1 ZINC000095071526 384341875 /nfs/dbraw/zinc/34/18/75/384341875.db2.gz SYMUVMVYLSHMPQ-UHFFFAOYSA-N 1 0 240.738 1.627 10 0 BDAERO Nc1nc2ccccc2nc1N1CCC[C@H]([NH3+])C1 ZINC000095072327 384343381 /nfs/dbraw/zinc/34/33/81/384343381.db2.gz QVGZWEBJSHZMFM-VIFPVBQESA-N 1 0 243.314 1.140 10 0 BDAERO O=C(CNC[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000095072795 384345215 /nfs/dbraw/zinc/34/52/15/384345215.db2.gz RRRCNBPKPBIUHF-SNVBAGLBSA-N 1 0 238.356 1.520 10 0 BDAERO O=C(COCC[C@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095072924 384345970 /nfs/dbraw/zinc/34/59/70/384345970.db2.gz RCLGNHKOXVQQJP-LLVKDONJSA-N 1 0 236.315 1.604 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2ccncc2Cl)C1 ZINC000335583375 384346763 /nfs/dbraw/zinc/34/67/63/384346763.db2.gz WODALGJGUCMNIC-IUCAKERBSA-N 1 0 225.723 1.696 10 0 BDAERO O=[S@](Cc1ccccn1)C[C@H]1CCCC[NH2+]1 ZINC000095073510 384347562 /nfs/dbraw/zinc/34/75/62/384347562.db2.gz BZLHGSNOSSSFKB-WBMJQRKESA-N 1 0 238.356 1.472 10 0 BDAERO O=[S@](Cc1ccccn1)C[C@H]1CCC[NH2+]1 ZINC000095073570 384347928 /nfs/dbraw/zinc/34/79/28/384347928.db2.gz MJXYHVFAXOJMKV-ABAIWWIYSA-N 1 0 224.329 1.082 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCN2CCCCC2)C1 ZINC000335586887 384352503 /nfs/dbraw/zinc/35/25/03/384352503.db2.gz VUVRPMNTMUKYDT-CHWSQXEVSA-N 1 0 226.364 1.175 10 0 BDAERO FC(F)(F)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000095076945 384353426 /nfs/dbraw/zinc/35/34/26/384353426.db2.gz GYELWFUBQGQXKR-MRVPVSSYSA-N 1 0 222.254 1.970 10 0 BDAERO c1ccc(CSC[C@H]2CC[NH2+]C2)nc1 ZINC000095092743 384362464 /nfs/dbraw/zinc/36/24/64/384362464.db2.gz FRGCYOISIGMRDI-JTQLQIEISA-N 1 0 208.330 1.924 10 0 BDAERO c1cnc(COCCC[C@@H]2CCCC[NH2+]2)cn1 ZINC000095092587 384362875 /nfs/dbraw/zinc/36/28/75/384362875.db2.gz PATDPLMMRCEJPT-LBPRGKRZSA-N 1 0 235.331 1.916 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)ccn1 ZINC000335598867 384364674 /nfs/dbraw/zinc/36/46/74/384364674.db2.gz YLFJGZAENGUQNJ-JQWIXIFHSA-N 1 0 233.315 1.139 10 0 BDAERO COC(=O)[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000095020547 384326309 /nfs/dbraw/zinc/32/63/09/384326309.db2.gz LKBRHDIUGOSNLJ-STQMWFEESA-N 1 0 245.322 1.821 10 0 BDAERO C[C@H](NC[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068374 384330695 /nfs/dbraw/zinc/33/06/95/384330695.db2.gz OPGHEEIQYQIDLS-QWRGUYRKSA-N 1 0 220.320 1.127 10 0 BDAERO Cc1cc(Cl)nc(N2CCC(C[NH3+])CC2)n1 ZINC000095068908 384332287 /nfs/dbraw/zinc/33/22/87/384332287.db2.gz AJDQBLSABLNQMM-UHFFFAOYSA-N 1 0 240.738 1.614 10 0 BDAERO Cc1cc(Cl)nc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000095068910 384332859 /nfs/dbraw/zinc/33/28/59/384332859.db2.gz YTDSWEDSZMFXDT-SECBINFHSA-N 1 0 240.738 1.614 10 0 BDAERO Cc1ccnc([S@](=O)[C@H]2CCC[NH2+]C2)c1 ZINC000095069212 384332873 /nfs/dbraw/zinc/33/28/73/384332873.db2.gz ZLNHEVXQVVSRJS-BONVTDFDSA-N 1 0 224.329 1.250 10 0 BDAERO Clc1cnc(OC[C@H]2CCCC[NH2+]2)nc1 ZINC000095070048 384334359 /nfs/dbraw/zinc/33/43/59/384334359.db2.gz MXEWJZNTTUZRSJ-SECBINFHSA-N 1 0 227.695 1.651 10 0 BDAERO Cc1ccnc(OCCC2CC[NH2+]CC2)n1 ZINC000095069412 384334470 /nfs/dbraw/zinc/33/44/70/384334470.db2.gz VYKDSECPCMMTLL-UHFFFAOYSA-N 1 0 221.304 1.554 10 0 BDAERO Cc1cnc(NC[C@@H]2CC[NH2+]C2)nc1Cl ZINC000095069338 384334741 /nfs/dbraw/zinc/33/47/41/384334741.db2.gz WPATUUWLUYPCJR-MRVPVSSYSA-N 1 0 226.711 1.460 10 0 BDAERO OC[C@H]1C[C@@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000095828942 384399603 /nfs/dbraw/zinc/39/96/03/384399603.db2.gz HJLGUUVMFQJKHJ-WDEREUQCSA-N 1 0 242.322 1.907 10 0 BDAERO CC(C)(C)C1=C[C@@](O)(C(F)(F)F)NC(=[NH2+])N1 ZINC000101378074 384404677 /nfs/dbraw/zinc/40/46/77/384404677.db2.gz FMSFSISNDCEIKF-MRVPVSSYSA-N 1 0 237.225 1.443 10 0 BDAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000095908551 384408731 /nfs/dbraw/zinc/40/87/31/384408731.db2.gz QTNYMKISNHWOMI-LLVKDONJSA-N 1 0 245.388 1.734 10 0 BDAERO c1ccc2[nH]c(C3=[NH+]CCCN3)nc2c1 ZINC000095923032 384411135 /nfs/dbraw/zinc/41/11/35/384411135.db2.gz FZPSOJVBLFKURO-UHFFFAOYSA-N 1 0 200.245 1.303 10 0 BDAERO C[C@@H](CCCO)[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033786 384424765 /nfs/dbraw/zinc/42/47/65/384424765.db2.gz UGFUXNYLRNKJRV-WSMDXJOWSA-N 1 0 215.337 1.693 10 0 BDAERO CC[C@H](C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000181061386 384435748 /nfs/dbraw/zinc/43/57/48/384435748.db2.gz PPCYTAQYVKRWEO-RYUDHWBXSA-N 1 0 222.336 1.789 10 0 BDAERO OCC[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000400593068 384511477 /nfs/dbraw/zinc/51/14/77/384511477.db2.gz BCEWMFAYBZYXTN-OLZOCXBDSA-N 1 0 227.348 1.507 10 0 BDAERO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000123119230 384535829 /nfs/dbraw/zinc/53/58/29/384535829.db2.gz PBXXVCOJZORQLK-GXTWGEPZSA-N 1 0 246.354 1.953 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000052395588 384535792 /nfs/dbraw/zinc/53/57/92/384535792.db2.gz CTCMRJJXIGUAPD-MRVPVSSYSA-N 1 0 224.329 1.955 10 0 BDAERO NC[C@@H]1CCCC[N@@H+]1[C@@H]1CCCSC1 ZINC000061590679 384520433 /nfs/dbraw/zinc/52/04/33/384520433.db2.gz OCLRFILAMODRSO-WDEREUQCSA-N 1 0 214.378 1.695 10 0 BDAERO CC[C@](C)(CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC000323238929 384532414 /nfs/dbraw/zinc/53/24/14/384532414.db2.gz QEPFZGUIXHVNKW-HZSPNIEDSA-N 1 0 240.391 1.970 10 0 BDAERO CN(C)C(C)(C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085630352 384550968 /nfs/dbraw/zinc/55/09/68/384550968.db2.gz ZDHITQDWNVBIEG-SRVKXCTJSA-N 1 0 240.391 1.730 10 0 BDAERO c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCSC1 ZINC000309714439 384557056 /nfs/dbraw/zinc/55/70/56/384557056.db2.gz YGDOCJONNLXZLH-UWVGGRQHSA-N 1 0 238.360 1.456 10 0 BDAERO C[C@H](C[NH3+])N(C)c1nc2ccccc2n1C ZINC000212220255 384562193 /nfs/dbraw/zinc/56/21/93/384562193.db2.gz BBBRINZIHIIGMZ-SECBINFHSA-N 1 0 218.304 1.357 10 0 BDAERO CC[C@@H](CO)[NH2+]C1CC(c2ccccn2)C1 ZINC000309729448 384562410 /nfs/dbraw/zinc/56/24/10/384562410.db2.gz ZIEDHVFWFVHUQV-CXQJBGSLSA-N 1 0 220.316 1.688 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000052395634 384537059 /nfs/dbraw/zinc/53/70/59/384537059.db2.gz YNIMZROZEHXTBX-SNVBAGLBSA-N 1 0 206.289 1.850 10 0 BDAERO CCN(CC)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000123167835 384538934 /nfs/dbraw/zinc/53/89/34/384538934.db2.gz JDHGNODYKVJAID-LLVKDONJSA-N 1 0 225.336 1.228 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccccc1C ZINC000052395666 384540785 /nfs/dbraw/zinc/54/07/85/384540785.db2.gz ROYMUMFFGWPGAE-SNVBAGLBSA-N 1 0 206.289 1.219 10 0 BDAERO CC[C@H]([NH2+][C@H](C)c1cncc(F)c1)C(N)=O ZINC000309721048 384563836 /nfs/dbraw/zinc/56/38/36/384563836.db2.gz WBVXJDMNHRRPQE-XCBNKYQSSA-N 1 0 225.267 1.135 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403293847 384621966 /nfs/dbraw/zinc/62/19/66/384621966.db2.gz KNVNUTNRCFHEHR-KKJSVHSVSA-N 1 0 222.332 1.419 10 0 BDAERO Cc1nc(C[NH2+]CC2CC(O)C2)cs1 ZINC000084447955 384623203 /nfs/dbraw/zinc/62/32/03/384623203.db2.gz ZNIDDLUSPVAABC-UHFFFAOYSA-N 1 0 212.318 1.312 10 0 BDAERO COC[C@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000103428363 384623422 /nfs/dbraw/zinc/62/34/22/384623422.db2.gz HWTNMLUCRHNOOU-LBPRGKRZSA-N 1 0 244.379 1.504 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)C1(C)C ZINC000084446795 384623890 /nfs/dbraw/zinc/62/38/90/384623890.db2.gz QRGCNZJLTCDUBB-KIDURHIOSA-N 1 0 227.348 1.551 10 0 BDAERO COC[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000103430309 384626702 /nfs/dbraw/zinc/62/67/02/384626702.db2.gz LFFUZUOFISWPML-VXGBXAGGSA-N 1 0 242.363 1.260 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)C(C)(C)[NH3+])o1 ZINC000040921558 384630193 /nfs/dbraw/zinc/63/01/93/384630193.db2.gz SRUDUYNCPHRWKI-MRVPVSSYSA-N 1 0 210.277 1.503 10 0 BDAERO O=C(C[NH2+][C@H]1CC[C@H](O)CC1)c1cccs1 ZINC000100279980 384630658 /nfs/dbraw/zinc/63/06/58/384630658.db2.gz RDDFIUVIJAIKNS-AOOOYVTPSA-N 1 0 239.340 1.824 10 0 BDAERO O=C1NC=N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]12 ZINC000101422359 384673539 /nfs/dbraw/zinc/67/35/39/384673539.db2.gz UCMFKIXRJBDWLN-OLZOCXBDSA-N 1 0 243.310 1.035 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000309816889 384636412 /nfs/dbraw/zinc/63/64/12/384636412.db2.gz VKUJPJJQLXQUIQ-GARJFASQSA-N 1 0 224.348 1.822 10 0 BDAERO CC[C@H]([NH3+])C[C@@H](N)C(=O)OCc1ccccc1 ZINC000141436466 384675034 /nfs/dbraw/zinc/67/50/34/384675034.db2.gz KEWAVIHAPYVGBK-NWDGAFQWSA-N 1 0 236.315 1.185 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]2C)[nH]1 ZINC000086329696 384640808 /nfs/dbraw/zinc/64/08/08/384640808.db2.gz QTCNNAQLAHQOQU-OIBJUYFYSA-N 1 0 208.261 1.299 10 0 BDAERO CO[C@@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000356432762 384643325 /nfs/dbraw/zinc/64/33/25/384643325.db2.gz XETINZWVOOCJGC-KGLIPLIRSA-N 1 0 238.375 1.582 10 0 BDAERO Cc1ccc([C@@H]2C[NH2+]C[C@H](C(N)=O)C2)cc1 ZINC000082163226 384648664 /nfs/dbraw/zinc/64/86/64/384648664.db2.gz AUOMSSOSEDEQLU-NWDGAFQWSA-N 1 0 218.300 1.173 10 0 BDAERO c1ccc2[nH]c(OC[C@H]3CCC[NH2+]3)nc2c1 ZINC000051865767 384694609 /nfs/dbraw/zinc/69/46/09/384694609.db2.gz XPLBHPFKIUKHFB-SECBINFHSA-N 1 0 217.272 1.694 10 0 BDAERO Cc1ccc(OC[C@H]2CCCC[NH2+]2)nc1 ZINC000051883338 384696894 /nfs/dbraw/zinc/69/68/94/384696894.db2.gz SXYPVUPHZSFEMK-LLVKDONJSA-N 1 0 206.289 1.911 10 0 BDAERO [NH3+][C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000125181346 384702566 /nfs/dbraw/zinc/70/25/66/384702566.db2.gz BIYWLJOOUXCBQB-DTWKUNHWSA-N 1 0 243.104 1.633 10 0 BDAERO CC(C)N1CCO[C@@H](c2nccs2)C1 ZINC000103478966 384776656 /nfs/dbraw/zinc/77/66/56/384776656.db2.gz PWSSPCLGBFKWPL-SECBINFHSA-N 1 0 212.318 1.925 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccc(C)s1 ZINC000054076887 384729986 /nfs/dbraw/zinc/72/99/86/384729986.db2.gz ACFHAWKLKXFWPT-MRVPVSSYSA-N 1 0 212.318 1.281 10 0 BDAERO CCN(C(=O)C[C@H]1CCC[NH2+]C1)C(C)C ZINC000054290706 384733394 /nfs/dbraw/zinc/73/33/94/384733394.db2.gz RYTZVNFIRLZQLQ-LLVKDONJSA-N 1 0 212.337 1.633 10 0 BDAERO COC(C)(C)C[C@H](C)[NH2+]CC[C@H](C)O ZINC000082993200 384733888 /nfs/dbraw/zinc/73/38/88/384733888.db2.gz OIVWFIVWYSVNCZ-UWVGGRQHSA-N 1 0 203.326 1.551 10 0 BDAERO CC[C@@H](C)CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290750 384733986 /nfs/dbraw/zinc/73/39/86/384733986.db2.gz DDAVPGWTDBVLHH-NEPJUHHUSA-N 1 0 226.364 1.881 10 0 BDAERO Cc1cc(C(F)(F)F)[nH]c(=O)c1C[NH3+] ZINC000020442993 384736998 /nfs/dbraw/zinc/73/69/98/384736998.db2.gz MSLXMOKWLPFQLV-UHFFFAOYSA-N 1 0 206.167 1.161 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncc(Cl)cn1 ZINC000307089187 384738428 /nfs/dbraw/zinc/73/84/28/384738428.db2.gz UQAWNTYVCGBQMY-POYBYMJQSA-N 1 0 212.684 1.056 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000055421457 384740542 /nfs/dbraw/zinc/74/05/42/384740542.db2.gz YCNFFNSEQQQOCX-GVDDXCRBSA-N 1 0 236.359 1.679 10 0 BDAERO C[NH+](C)CCNCc1c(F)cccc1F ZINC000022178114 384744766 /nfs/dbraw/zinc/74/47/66/384744766.db2.gz CUFDAHARTVORTP-UHFFFAOYSA-N 1 0 214.259 1.616 10 0 BDAERO C[C@@H](C[NH3+])Nc1nc2ccccc2n1C ZINC000070609147 384763170 /nfs/dbraw/zinc/76/31/70/384763170.db2.gz FQWBMVNECFNVHH-QMMMGPOBSA-N 1 0 204.277 1.332 10 0 BDAERO C[C@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCS1 ZINC000335008940 384769361 /nfs/dbraw/zinc/76/93/61/384769361.db2.gz FCMAXABWWNOART-WCBMZHEXSA-N 1 0 228.361 1.078 10 0 BDAERO CC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)C(C)(C)C ZINC000336670255 384820209 /nfs/dbraw/zinc/82/02/09/384820209.db2.gz ACIMVSGIQTXELS-LLVKDONJSA-N 1 0 247.404 1.835 10 0 BDAERO CN(C(=O)[C@@H]1CC12CC2)[C@@H]1CCC[NH2+]CC1 ZINC000335414863 384825735 /nfs/dbraw/zinc/82/57/35/384825735.db2.gz UAWXNKWIKSJHEE-MNOVXSKESA-N 1 0 222.332 1.387 10 0 BDAERO Cn1cc(CN2CCC[N@H+](CC3CC3)CC2)cn1 ZINC000156205834 384827232 /nfs/dbraw/zinc/82/72/32/384827232.db2.gz MIAANZMXMIDAFC-UHFFFAOYSA-N 1 0 248.374 1.338 10 0 BDAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(C)=O ZINC000375871494 384827234 /nfs/dbraw/zinc/82/72/34/384827234.db2.gz CTGQAUHKDMCVLU-RYUDHWBXSA-N 1 0 210.321 1.482 10 0 BDAERO Cc1ccoc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000126778026 384831580 /nfs/dbraw/zinc/83/15/80/384831580.db2.gz GLLWAEGHICNVEI-LLVKDONJSA-N 1 0 224.304 1.008 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000048775779 384789746 /nfs/dbraw/zinc/78/97/46/384789746.db2.gz MPMMDDPKAOXIRT-MRVPVSSYSA-N 1 0 210.252 1.050 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000310035661 384802430 /nfs/dbraw/zinc/80/24/30/384802430.db2.gz UBCMFWBBLJRHCP-QWRGUYRKSA-N 1 0 247.404 1.835 10 0 BDAERO CCCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000310039561 384810910 /nfs/dbraw/zinc/81/09/10/384810910.db2.gz XBWKKKZAWYIDGX-YPMHNXCESA-N 1 0 224.348 1.823 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(Br)c(F)c1 ZINC000072201280 384814121 /nfs/dbraw/zinc/81/41/21/384814121.db2.gz KPYUVYCUMYLLIX-QMMMGPOBSA-N 1 0 233.084 1.547 10 0 BDAERO N[C@@H](C[NH3+])c1cc(C(F)(F)F)ccc1F ZINC000072201032 384815038 /nfs/dbraw/zinc/81/50/38/384815038.db2.gz VZUUWURFTNDEIX-QMMMGPOBSA-N 1 0 222.185 1.803 10 0 BDAERO c1cc(CNC[C@H]2CC[NH2+]C2)c2c(c1)OCCO2 ZINC000398278666 384881303 /nfs/dbraw/zinc/88/13/03/384881303.db2.gz CNGMLVOCINDHIJ-NSHDSACASA-N 1 0 248.326 1.157 10 0 BDAERO CC(C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105909284 384887815 /nfs/dbraw/zinc/88/78/15/384887815.db2.gz ZCCDXEQTPQJTLP-UHFFFAOYSA-N 1 0 220.320 1.397 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000310109542 384842373 /nfs/dbraw/zinc/84/23/73/384842373.db2.gz DXRKLVKSSAZNTC-QJPTWQEYSA-N 1 0 243.347 1.026 10 0 BDAERO Cn1c2ccccc2nc1[C@@H]([NH3+])C1CC1 ZINC000054501707 384843553 /nfs/dbraw/zinc/84/35/53/384843553.db2.gz CFWVBKUOKSKEOC-NSHDSACASA-N 1 0 201.273 1.983 10 0 BDAERO C[C@@H]([NH3+])c1cnn(Cc2ccccc2)c1 ZINC000054716856 384852418 /nfs/dbraw/zinc/85/24/18/384852418.db2.gz WZDNLLJTIXLGDY-SNVBAGLBSA-N 1 0 201.273 1.951 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)c1ccccn1 ZINC000084227391 384852337 /nfs/dbraw/zinc/85/23/37/384852337.db2.gz VAZDSWFCATZIPK-GVXVVHGQSA-N 1 0 220.316 1.893 10 0 BDAERO c1cc2ccc([C@H]3C[NH2+]CCO3)cc2cn1 ZINC000258094543 384856447 /nfs/dbraw/zinc/85/64/47/384856447.db2.gz QLXHELYDGUSCJO-CYBMUJFWSA-N 1 0 214.268 1.896 10 0 BDAERO C#[N+][C@@H](C(=O)OC)c1ccc([N+](=O)[O-])cc1 ZINC000060149548 384861260 /nfs/dbraw/zinc/86/12/60/384861260.db2.gz QTSFMCCDOZDCPK-SECBINFHSA-N 1 0 220.184 1.728 10 0 BDAERO CN(Cc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000043501394 384861745 /nfs/dbraw/zinc/86/17/45/384861745.db2.gz LHDZYFLTYNGVSP-JTQLQIEISA-N 1 0 210.346 1.932 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643729313 384869647 /nfs/dbraw/zinc/86/96/47/384869647.db2.gz WNRYJGXIZXKUPF-MDZLAQPJSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cccnc2)C1 ZINC000334747688 384890384 /nfs/dbraw/zinc/89/03/84/384890384.db2.gz VILXUTIRKLWOLQ-CMPLNLGQSA-N 1 0 206.289 1.284 10 0 BDAERO C(N1CCO[C@H]2CCCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992582 384896691 /nfs/dbraw/zinc/89/66/91/384896691.db2.gz USLSCUCRKJVHNE-DKNRTOFZSA-N 1 0 236.359 1.382 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C1(CO)CCCC1 ZINC000336676303 384911904 /nfs/dbraw/zinc/91/19/04/384911904.db2.gz HODAEDNFEKEGIB-SNVBAGLBSA-N 1 0 215.337 1.288 10 0 BDAERO C[C@H]1C[N@H+](CC2CC2)C[C@@H]1N1CCOCC1 ZINC000156667302 384918402 /nfs/dbraw/zinc/91/84/02/384918402.db2.gz CSCYQFAMMRPTLE-AAEUAGOBSA-N 1 0 224.348 1.049 10 0 BDAERO Fc1ccccc1[C@@H]1CN(C2CC2)CC[NH2+]1 ZINC000056894961 384920822 /nfs/dbraw/zinc/92/08/22/384920822.db2.gz RIBQZXKPGOLJEX-ZDUSSCGKSA-N 1 0 220.291 1.934 10 0 BDAERO C[C@H]([NH3+])CCNc1cc(NC2CC2)ncn1 ZINC000258693556 384932147 /nfs/dbraw/zinc/93/21/47/384932147.db2.gz QLSATDXDTWXAMF-QMMMGPOBSA-N 1 0 221.308 1.200 10 0 BDAERO C[C@H](C[NH3+])c1noc(C(F)(F)Cl)n1 ZINC000156788036 384960317 /nfs/dbraw/zinc/96/03/17/384960317.db2.gz DZDKVAYWBDFTIO-GSVOUGTGSA-N 1 0 211.599 1.420 10 0 BDAERO O=c1ccc(Cl)cn1C[C@H]1CCC[NH2+]C1 ZINC000057871690 384969490 /nfs/dbraw/zinc/96/94/90/384969490.db2.gz LZRCRHMVCIQRRE-VIFPVBQESA-N 1 0 226.707 1.501 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCC2(OC)CCC2)C1 ZINC000339179956 384972286 /nfs/dbraw/zinc/97/22/86/384972286.db2.gz CJYBVKGKHMMJIJ-VXGBXAGGSA-N 1 0 243.347 1.027 10 0 BDAERO C[C@H]([NH3+])[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000062706013 384993710 /nfs/dbraw/zinc/99/37/10/384993710.db2.gz LXPVHKWAPVXVAA-AJAUBTJJSA-N 1 0 205.179 1.485 10 0 BDAERO [NH3+][C@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1 ZINC000070460249 384996048 /nfs/dbraw/zinc/99/60/48/384996048.db2.gz YDVICFBNERGNNY-QMMMGPOBSA-N 1 0 234.328 1.676 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccns1 ZINC000404458570 385002264 /nfs/dbraw/zinc/00/22/64/385002264.db2.gz OVCCCDKTJULYTG-SECBINFHSA-N 1 0 214.334 1.640 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC000404474284 385011432 /nfs/dbraw/zinc/01/14/32/385011432.db2.gz OYYCLNYIMLVIKR-SNVBAGLBSA-N 1 0 225.361 1.635 10 0 BDAERO C(c1noc([C@@]23CCC[C@H]2C[NH2+]C3)n1)C1CC1 ZINC000407986770 385110078 /nfs/dbraw/zinc/11/00/78/385110078.db2.gz IRMGZFTVWRORAB-GXFFZTMASA-N 1 0 233.315 1.663 10 0 BDAERO CSC1(C[NH2+][C@@H]2CCc3ncnn3C2)CC1 ZINC000377551448 385117915 /nfs/dbraw/zinc/11/79/15/385117915.db2.gz XTVKZEPNLHMHJF-SECBINFHSA-N 1 0 238.360 1.078 10 0 BDAERO CSC1(C[NH2+][C@H]2CCc3ncnn3C2)CC1 ZINC000377551449 385118742 /nfs/dbraw/zinc/11/87/42/385118742.db2.gz XTVKZEPNLHMHJF-VIFPVBQESA-N 1 0 238.360 1.078 10 0 BDAERO Cc1ccnc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000061859922 385141909 /nfs/dbraw/zinc/14/19/09/385141909.db2.gz BPOLLQZKARJRER-JTQLQIEISA-N 1 0 207.277 1.306 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647302808 385134435 /nfs/dbraw/zinc/13/44/35/385134435.db2.gz SCULRCIFMYRFNM-WPRPVWTQSA-N 1 0 246.301 1.821 10 0 BDAERO c1nnc([C@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)[nH]1 ZINC000407948931 385095782 /nfs/dbraw/zinc/09/57/82/385095782.db2.gz BBOKPJNJCFSJRB-QWRGUYRKSA-N 1 0 236.319 1.021 10 0 BDAERO Cc1ccnc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000061859920 385140899 /nfs/dbraw/zinc/14/08/99/385140899.db2.gz JDRDLHZEHBAEAO-JTQLQIEISA-N 1 0 207.277 1.163 10 0 BDAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccnc2cccnc21 ZINC000341022618 385102412 /nfs/dbraw/zinc/10/24/12/385102412.db2.gz WVFARYWMUNBNSD-GHMZBOCLSA-N 1 0 242.326 1.803 10 0 BDAERO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CNC(=O)O1 ZINC000309133081 385105711 /nfs/dbraw/zinc/10/57/11/385105711.db2.gz RKFIIQMCVGMKGO-BDAKNGLRSA-N 1 0 212.293 1.263 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC000062969371 385198050 /nfs/dbraw/zinc/19/80/50/385198050.db2.gz PGZRSXDVSKZXOG-GFCCVEGCSA-N 1 0 236.290 1.602 10 0 BDAERO CNc1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062984780 385199219 /nfs/dbraw/zinc/19/92/19/385199219.db2.gz BPYBOYOIWWLTKT-NSHDSACASA-N 1 0 247.342 1.504 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2ccncc2Cl)C1 ZINC000176918698 385157085 /nfs/dbraw/zinc/15/70/85/385157085.db2.gz KEMRJSCEHIQQBQ-SECBINFHSA-N 1 0 225.723 1.875 10 0 BDAERO CCc1ccc([C@@H](C)[NH2+]CC(N)=O)cc1 ZINC000019401920 385214960 /nfs/dbraw/zinc/21/49/60/385214960.db2.gz KANJBKRKCDYKGE-SECBINFHSA-N 1 0 206.289 1.385 10 0 BDAERO CC(C)=CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000308871026 385227326 /nfs/dbraw/zinc/22/73/26/385227326.db2.gz YYPRPFAOBXUPMN-GHMZBOCLSA-N 1 0 208.305 1.163 10 0 BDAERO [NH3+]Cc1cc(-c2cncnc2)ccc1F ZINC000052886564 385319818 /nfs/dbraw/zinc/31/98/18/385319818.db2.gz DJIYYQCJZLNYSV-UHFFFAOYSA-N 1 0 203.220 1.741 10 0 BDAERO CC(C)n1nccc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000280172519 385274915 /nfs/dbraw/zinc/27/49/15/385274915.db2.gz GETVPDSRXYCKLA-ZYHUDNBSSA-N 1 0 223.320 1.731 10 0 BDAERO Cc1nnc2c(N[C@@H](C)CCCC[NH3+])nccn12 ZINC000311026772 385290678 /nfs/dbraw/zinc/29/06/78/385290678.db2.gz RYBKKIBMJDBHDK-VIFPVBQESA-N 1 0 248.334 1.362 10 0 BDAERO COC[C@@]1(c2nc(C3CC3)no2)CCC[NH2+]1 ZINC000643935442 385296141 /nfs/dbraw/zinc/29/61/41/385296141.db2.gz OUUSIAIVTDHHSD-LLVKDONJSA-N 1 0 223.276 1.172 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC2(C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000409429217 385328681 /nfs/dbraw/zinc/32/86/81/385328681.db2.gz FOPOFNRLKGSPKE-ONXXMXGDSA-N 1 0 238.375 1.770 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307943427 385354280 /nfs/dbraw/zinc/35/42/80/385354280.db2.gz FPDVTTNXKMRAQX-BIIVOSGPSA-N 1 0 227.226 1.067 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(C)(F)F)C1 ZINC000409428817 385327185 /nfs/dbraw/zinc/32/71/85/385327185.db2.gz NJDSXDAZJGBWOQ-JGVFFNPUSA-N 1 0 220.263 1.227 10 0 BDAERO CC[C@H](C)C[NH2+]C[C@H](C)N1CCOCC1 ZINC000093054759 385400293 /nfs/dbraw/zinc/40/02/93/385400293.db2.gz QYPIMMVDJRJKMX-RYUDHWBXSA-N 1 0 214.353 1.343 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@@H]1c1cc(N)n[nH]1 ZINC000259403818 385425481 /nfs/dbraw/zinc/42/54/81/385425481.db2.gz XIUIYXVEVOTXKG-SNVBAGLBSA-N 1 0 208.309 1.927 10 0 BDAERO Cc1cnc(C[C@H]2CC[NH2+]C2)n1CC1CC1 ZINC000169676758 385416733 /nfs/dbraw/zinc/41/67/33/385416733.db2.gz HKSRFCXXYNMXJV-GFCCVEGCSA-N 1 0 219.332 1.754 10 0 BDAERO COC(=O)[C@H](N)[C@@H](C)Oc1ccccc1F ZINC000169726735 385418163 /nfs/dbraw/zinc/41/81/63/385418163.db2.gz JFMXGMRORDTAKF-GMSGAONNSA-N 1 0 227.235 1.093 10 0 BDAERO COC(=O)[C@@H](N)COc1ccccc1Cl ZINC000169726702 385418470 /nfs/dbraw/zinc/41/84/70/385418470.db2.gz WRXWJFUAHXXTOF-QMMMGPOBSA-N 1 0 229.663 1.219 10 0 BDAERO c1cnc2c(c1)cccc2OCC1C[NH2+]C1 ZINC000169726889 385420225 /nfs/dbraw/zinc/42/02/25/385420225.db2.gz UKLPVVCHWVKLMC-UHFFFAOYSA-N 1 0 214.268 1.833 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)c2ccccc2)C1 ZINC000194252279 385426416 /nfs/dbraw/zinc/42/64/16/385426416.db2.gz BFWQUCMSHNKDMC-GFCCVEGCSA-N 1 0 246.310 1.032 10 0 BDAERO CCC[C@H](C(=O)NCc1ccoc1)[NH+](C)C ZINC000179100839 385441576 /nfs/dbraw/zinc/44/15/76/385441576.db2.gz HEIUPHFYBNCPSM-LLVKDONJSA-N 1 0 224.304 1.626 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1CCCC1 ZINC000309135392 385428152 /nfs/dbraw/zinc/42/81/52/385428152.db2.gz SAQYKRKGBMMHJN-ONGXEEELSA-N 1 0 210.321 1.433 10 0 BDAERO CC(C)n1cc(C[NH2+][C@@H]2CCO[C@@H]2C)nn1 ZINC000309201299 385476199 /nfs/dbraw/zinc/47/61/99/385476199.db2.gz LLFPOZAIEAVNMJ-MWLCHTKSSA-N 1 0 224.308 1.126 10 0 BDAERO Cc1noc(C)c1CC[NH2+][C@H]1CCO[C@@H]1C ZINC000121071954 385463245 /nfs/dbraw/zinc/46/32/45/385463245.db2.gz PQQLZFCDCRHMKF-PWSUYJOCSA-N 1 0 224.304 1.601 10 0 BDAERO CCc1nnc(C[NH2+][C@H](C)[C@H](C)CC)n1C ZINC000183047883 385503871 /nfs/dbraw/zinc/50/38/71/385503871.db2.gz KXYVZRJWYOBBFS-NXEZZACHSA-N 1 0 224.352 1.902 10 0 BDAERO CCOc1nccnc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643013711 385511862 /nfs/dbraw/zinc/51/18/62/385511862.db2.gz KOAKDOYLJQRURZ-MNOVXSKESA-N 1 0 248.330 1.206 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C)o1 ZINC000282152457 385512754 /nfs/dbraw/zinc/51/27/54/385512754.db2.gz CTYYHQZYNKGIKU-VWYCJHECSA-N 1 0 236.315 1.906 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC2CCCCC2)C1 ZINC000309289124 385515270 /nfs/dbraw/zinc/51/52/70/385515270.db2.gz PPASRKRZABOZHW-QWHCGFSZSA-N 1 0 227.348 1.648 10 0 BDAERO NC1=[NH+][C@@H](c2ccc(Cl)cc2)COC1 ZINC000258079184 385534275 /nfs/dbraw/zinc/53/42/75/385534275.db2.gz METXRIMGSWARNI-SECBINFHSA-N 1 0 210.664 1.769 10 0 BDAERO c1cnc2ccc([C@@H]3C[NH2+]CCO3)cc2c1 ZINC000258096826 385536718 /nfs/dbraw/zinc/53/67/18/385536718.db2.gz QOPCRUQDNZWCMS-ZDUSSCGKSA-N 1 0 214.268 1.896 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000282242796 385539565 /nfs/dbraw/zinc/53/95/65/385539565.db2.gz GBTMJHNILGBFPS-AAEUAGOBSA-N 1 0 248.326 1.322 10 0 BDAERO CC1([NH3+])CCN(c2ncnc3c2CCCC3)CC1 ZINC000643029485 385524317 /nfs/dbraw/zinc/52/43/17/385524317.db2.gz YFFKVRIMOXSFPV-UHFFFAOYSA-N 1 0 246.358 1.673 10 0 BDAERO CCn1cc(C[NH2+]C)nc1Br ZINC000258038617 385524322 /nfs/dbraw/zinc/52/43/22/385524322.db2.gz FCFFDQYNYKDRDX-UHFFFAOYSA-N 1 0 218.098 1.385 10 0 BDAERO CC1([NH3+])CCN(c2ncncc2Cl)CC1 ZINC000643028825 385524351 /nfs/dbraw/zinc/52/43/51/385524351.db2.gz YIDIEAPXUWUPPB-UHFFFAOYSA-N 1 0 226.711 1.448 10 0 BDAERO CC(C)c1nsc(N2CCC(C)([NH3+])CC2)n1 ZINC000643029337 385524617 /nfs/dbraw/zinc/52/46/17/385524617.db2.gz QEPLLQBXUGENCL-UHFFFAOYSA-N 1 0 240.376 1.979 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCCNC1=O)C1CCSCC1 ZINC000309417860 385575423 /nfs/dbraw/zinc/57/54/23/385575423.db2.gz JMHKRWFLNOHUAU-MWLCHTKSSA-N 1 0 242.388 1.386 10 0 BDAERO CCC[C@H](C(=O)Nc1ncccc1O)[NH+](C)C ZINC000180993098 385558835 /nfs/dbraw/zinc/55/88/35/385558835.db2.gz JSIJSSHIHCVBBH-SECBINFHSA-N 1 0 237.303 1.456 10 0 BDAERO C[C@](O)(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C1CC1 ZINC000336678704 385615649 /nfs/dbraw/zinc/61/56/49/385615649.db2.gz CXQSGAYDOBXVFS-NMKXLXIOSA-N 1 0 239.359 1.551 10 0 BDAERO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC000309503871 385640188 /nfs/dbraw/zinc/64/01/88/385640188.db2.gz BNGIXMVQEYKKNK-ZYHUDNBSSA-N 1 0 224.348 1.823 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCCc2ccccc2C1 ZINC000062945911 385683931 /nfs/dbraw/zinc/68/39/31/385683931.db2.gz JFCPBWXVHCXCSL-ZDUSSCGKSA-N 1 0 244.338 1.571 10 0 BDAERO O=C1CC[C@H]([NH2+]CCCCF)[C@@H](C2CC2)N1 ZINC000309571991 385700925 /nfs/dbraw/zinc/70/09/25/385700925.db2.gz NEHVIHTXKRCJNM-CMPLNLGQSA-N 1 0 228.311 1.383 10 0 BDAERO c1cn2c(n1)C[C@H](C[NH2+][C@H]1CCSC1)CC2 ZINC000309594582 385718595 /nfs/dbraw/zinc/71/85/95/385718595.db2.gz HZUZXMFMUXGTHH-MNOVXSKESA-N 1 0 237.372 1.541 10 0 BDAERO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCF ZINC000309529940 385666865 /nfs/dbraw/zinc/66/68/65/385666865.db2.gz VTHAOKVAZQDYJF-VHSXEESVSA-N 1 0 216.300 1.096 10 0 BDAERO C[C@]1(C[NH3+])CCN(c2ncnc3c2CCC3)C1 ZINC000235736106 259675239 /nfs/dbraw/zinc/67/52/39/259675239.db2.gz BZHPRPSDYQJDTH-CYBMUJFWSA-N 1 0 232.331 1.140 10 0 BDAERO c1cn2c(n1)CC[C@H]([NH2+]Cc1cc[nH]c1)C2 ZINC000309650910 385769207 /nfs/dbraw/zinc/76/92/07/385769207.db2.gz XUZAFMMRWRKKQZ-NSHDSACASA-N 1 0 216.288 1.316 10 0 BDAERO COc1ccc(C(N)=[NH2+])c(Br)c1F ZINC000231860892 385829126 /nfs/dbraw/zinc/82/91/26/385829126.db2.gz UOLFGGCDMDRCNH-UHFFFAOYSA-N 1 0 247.067 1.881 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000215989621 385855318 /nfs/dbraw/zinc/85/53/18/385855318.db2.gz CRAFMMBFLQNKFY-NWDGAFQWSA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H](c2cccc(OC)c2)C1 ZINC000215987180 385855643 /nfs/dbraw/zinc/85/56/43/385855643.db2.gz KJPUEJXQNOKFSV-NWDGAFQWSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1c1cccc(OC)c1 ZINC000215989746 385855688 /nfs/dbraw/zinc/85/56/88/385855688.db2.gz QZZWHIDLXDKUIR-CHWSQXEVSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000215989526 385855759 /nfs/dbraw/zinc/85/57/59/385855759.db2.gz CRAFMMBFLQNKFY-VXGBXAGGSA-N 1 0 237.274 1.692 10 0 BDAERO C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336656844 385792182 /nfs/dbraw/zinc/79/21/82/385792182.db2.gz OZUSUKNCLIPNSU-GARJFASQSA-N 1 0 203.301 1.875 10 0 BDAERO C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336656847 385792762 /nfs/dbraw/zinc/79/27/62/385792762.db2.gz OZUSUKNCLIPNSU-HBNTYKKESA-N 1 0 203.301 1.875 10 0 BDAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H]1CSC1(C)C ZINC000393857170 385892900 /nfs/dbraw/zinc/89/29/00/385892900.db2.gz VRGMOVKIZZLYNG-OUAUKWLOSA-N 1 0 244.404 1.237 10 0 BDAERO CNC(=[NH2+])N(C)[C@H]1CC[C@H](C)SC1 ZINC000575534355 385894652 /nfs/dbraw/zinc/89/46/52/385894652.db2.gz IVRZDXCEOFFWQX-YUMQZZPRSA-N 1 0 201.339 1.356 10 0 BDAERO CCOC(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000260548493 385902608 /nfs/dbraw/zinc/90/26/08/385902608.db2.gz SNPUVSUVVISZTM-SNVBAGLBSA-N 1 0 219.284 1.940 10 0 BDAERO C[NH2+]Cc1csc(N2CC(C)(C)C2)n1 ZINC000307094151 385904931 /nfs/dbraw/zinc/90/49/31/385904931.db2.gz CAGQGFKFPVMOSX-UHFFFAOYSA-N 1 0 211.334 1.709 10 0 BDAERO Nc1cc[nH+]cc1Sc1nncs1 ZINC000307093784 385905102 /nfs/dbraw/zinc/90/51/02/385905102.db2.gz DLALABRAGZBLOV-UHFFFAOYSA-N 1 0 210.287 1.667 10 0 BDAERO C[C@@]1(O)CCCC[C@H]1[NH2+]C1CSC1 ZINC000575537076 385915442 /nfs/dbraw/zinc/91/54/42/385915442.db2.gz FVHSMZHGYWELLJ-NXEZZACHSA-N 1 0 201.335 1.385 10 0 BDAERO CS[C@@H]1CC[C@H]1N1CC[NH2+][C@H](C)C1 ZINC000575550976 385984722 /nfs/dbraw/zinc/98/47/22/385984722.db2.gz VGWXHRMBZMDAQC-OPRDCNLKSA-N 1 0 200.351 1.174 10 0 BDAERO CCc1nnc(CN2C[C@H](O)CC[C@@H]2C)s1 ZINC000643254817 385995296 /nfs/dbraw/zinc/99/52/96/385995296.db2.gz SJGAKTGWLPMPJA-DTWKUNHWSA-N 1 0 241.360 1.446 10 0 BDAERO CCc1cc(CC)nc(N(CC)CC[NH3+])n1 ZINC000309212116 385992541 /nfs/dbraw/zinc/99/25/41/385992541.db2.gz OFDPVFAICQUTSC-UHFFFAOYSA-N 1 0 222.336 1.386 10 0 BDAERO C[C@H]([NH3+])CCN1C(=O)c2ccccc2C1=O ZINC000057336800 385930939 /nfs/dbraw/zinc/93/09/39/385930939.db2.gz DZAIUOKVOOHPGY-QMMMGPOBSA-N 1 0 218.256 1.020 10 0 BDAERO c1ccc2c(c1)CC(CN[C@@H]1CC[NH2+]C1)C2 ZINC000335045006 385939278 /nfs/dbraw/zinc/93/92/78/385939278.db2.gz WZUZBTMAPPGTDW-CQSZACIVSA-N 1 0 216.328 1.353 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](O)CN(C)C)[C@H]1CC1(C)C ZINC000414080611 385952937 /nfs/dbraw/zinc/95/29/37/385952937.db2.gz DIFMPAMXTYLJIL-UTUOFQBUSA-N 1 0 228.380 1.323 10 0 BDAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCCO)C1(C)C ZINC000336752870 386021542 /nfs/dbraw/zinc/02/15/42/386021542.db2.gz GQJXPRTUCHMGSH-GMTAPVOTSA-N 1 0 215.337 1.408 10 0 BDAERO C[C@@H]1CSC[C@]1([NH3+])c1ccns1 ZINC000575561375 386022154 /nfs/dbraw/zinc/02/21/54/386022154.db2.gz OLTKLBVQGBECPE-HTRCEHHLSA-N 1 0 200.332 1.680 10 0 BDAERO C[C@@H](C[NH2+][C@H]1CCC1(C)C)N1CCOCC1 ZINC000336753436 386022645 /nfs/dbraw/zinc/02/26/45/386022645.db2.gz WINMUBZNYRDCCG-RYUDHWBXSA-N 1 0 226.364 1.485 10 0 BDAERO C[C@H]1SCC[C@]1([NH3+])c1cscn1 ZINC000575562123 386028180 /nfs/dbraw/zinc/02/81/80/386028180.db2.gz YIYCDQWGRMXDAA-HTRCEHHLSA-N 1 0 200.332 1.823 10 0 BDAERO C[C@H]([NH3+])c1cnc(-c2ncccn2)s1 ZINC000054159324 386111101 /nfs/dbraw/zinc/11/11/01/386111101.db2.gz BVRMKPOWEVYNIZ-LURJTMIESA-N 1 0 206.274 1.620 10 0 BDAERO C[C@@H](CO)[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000124633935 386116346 /nfs/dbraw/zinc/11/63/46/386116346.db2.gz YKHOTNLLCOWXRR-JQWIXIFHSA-N 1 0 205.301 1.639 10 0 BDAERO CO[C@H]1C[NH2+]CC[C@H]1Cc1ccncc1 ZINC000222941635 386070626 /nfs/dbraw/zinc/07/06/26/386070626.db2.gz PTPZLASYQPKBOW-RYUDHWBXSA-N 1 0 206.289 1.249 10 0 BDAERO c1nnc([C@H]2CCC[NH2+]C2)n1C1CCCC1 ZINC000054526438 386127647 /nfs/dbraw/zinc/12/76/47/386127647.db2.gz USRVFJSJCQJTCM-JTQLQIEISA-N 1 0 220.320 1.860 10 0 BDAERO [NH3+]C1(Cc2ccccc2Br)COC1 ZINC000575580505 386232894 /nfs/dbraw/zinc/23/28/94/386232894.db2.gz CMJSRRPBJJGZFL-UHFFFAOYSA-N 1 0 242.116 1.719 10 0 BDAERO C[C@H]1CN[C@@]2(CCC[NH2+]CC2)SC1 ZINC000575576847 386195258 /nfs/dbraw/zinc/19/52/58/386195258.db2.gz VYPXHASEMWSMNY-UWVGGRQHSA-N 1 0 200.351 1.429 10 0 BDAERO [NH3+][C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F ZINC000521399579 386434393 /nfs/dbraw/zinc/43/43/93/386434393.db2.gz AAMBEWXHCMJKOP-CBAPKCEASA-N 1 0 217.190 1.880 10 0 BDAERO COc1cc(Br)ncc1C[NH3+] ZINC000238460854 386482154 /nfs/dbraw/zinc/48/21/54/386482154.db2.gz LFZFJEBAQLXUOA-UHFFFAOYSA-N 1 0 217.066 1.311 10 0 BDAERO O=C1Nc2cccc(Cl)c2[C@@]12CC[NH2+]C2 ZINC000299889025 386494640 /nfs/dbraw/zinc/49/46/40/386494640.db2.gz CIZLXRXGIRYPFI-NSHDSACASA-N 1 0 222.675 1.523 10 0 BDAERO COCCn1c(C)nc2cc(C[NH3+])ccc21 ZINC000062214017 386500765 /nfs/dbraw/zinc/50/07/65/386500765.db2.gz RWLGUXNZCVTSAV-UHFFFAOYSA-N 1 0 219.288 1.450 10 0 BDAERO CC[C@@H](C)N(CCO)Cc1nnc(C)n1CC ZINC000336720608 386453392 /nfs/dbraw/zinc/45/33/92/386453392.db2.gz XAUWLGAVNAYHQO-SNVBAGLBSA-N 1 0 240.351 1.199 10 0 BDAERO CC(C)OCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399230422 386463716 /nfs/dbraw/zinc/46/37/16/386463716.db2.gz BXNDHGFBWSHEIW-WDEREUQCSA-N 1 0 201.310 1.257 10 0 BDAERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)C(N)=O ZINC000061676874 386532195 /nfs/dbraw/zinc/53/21/95/386532195.db2.gz DOYYVQNTRCRFNW-BDAKNGLRSA-N 1 0 210.277 1.503 10 0 BDAERO C[C@@H]1[C@@H]([NH2+]C2COC2)CCN1Cc1ccccc1 ZINC000287289211 386533004 /nfs/dbraw/zinc/53/30/04/386533004.db2.gz KBGWDIFJBYIEFR-DOMZBBRYSA-N 1 0 246.354 1.638 10 0 BDAERO Cc1nc(CN2C[C@H](F)C[C@@H]2C[NH3+])oc1C ZINC000238853180 386534418 /nfs/dbraw/zinc/53/44/18/386534418.db2.gz INJDHGSMDBFRCO-NXEZZACHSA-N 1 0 227.283 1.163 10 0 BDAERO C[C@@H]1C[NH2+]C[C@]1(C)CNC(=O)OC(C)(C)C ZINC000238854801 386536292 /nfs/dbraw/zinc/53/62/92/386536292.db2.gz PLLIFPFHFHXRNX-BXKDBHETSA-N 1 0 228.336 1.757 10 0 BDAERO COCC[C@H](COC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000519767281 386552914 /nfs/dbraw/zinc/55/29/14/386552914.db2.gz YKIJJXBEVXQYLO-JHJVBQTASA-N 1 0 244.379 1.016 10 0 BDAERO CCC(C)(C)CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000335499513 386625818 /nfs/dbraw/zinc/62/58/18/386625818.db2.gz IEFTTWVRNDKZKW-ZJUUUORDSA-N 1 0 212.337 1.618 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000335501763 386629596 /nfs/dbraw/zinc/62/95/96/386629596.db2.gz XNWKNFSAOSENHE-GZMMTYOYSA-N 1 0 244.298 1.125 10 0 BDAERO CC1CCC(O)(C[NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000408440367 386629618 /nfs/dbraw/zinc/62/96/18/386629618.db2.gz BCJBPOFKAVOKKI-LXVYMNJGSA-N 1 0 243.391 1.924 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000335501765 386630645 /nfs/dbraw/zinc/63/06/45/386630645.db2.gz XNWKNFSAOSENHE-LDYMZIIASA-N 1 0 244.298 1.125 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000335501764 386630889 /nfs/dbraw/zinc/63/08/89/386630889.db2.gz XNWKNFSAOSENHE-KCJUWKMLSA-N 1 0 244.298 1.125 10 0 BDAERO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)nn1C ZINC000644953151 386638215 /nfs/dbraw/zinc/63/82/15/386638215.db2.gz HFBSFEHDCDNSFS-SGMGOOAPSA-N 1 0 249.358 1.321 10 0 BDAERO CC[C@H](C)[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000179324268 386638776 /nfs/dbraw/zinc/63/87/76/386638776.db2.gz TVYHYWVGVDEXCD-VIFPVBQESA-N 1 0 225.336 1.967 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N(C)C(C)(C)C ZINC000306680467 386645692 /nfs/dbraw/zinc/64/56/92/386645692.db2.gz KXTGYVHVPXKSBM-DTWKUNHWSA-N 1 0 202.367 1.420 10 0 BDAERO C[C@@H]1CCCC[C@@H]1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000415147112 386645989 /nfs/dbraw/zinc/64/59/89/386645989.db2.gz ZKAQWZXATQPTGK-YIYPIFLZSA-N 1 0 238.375 1.485 10 0 BDAERO COC(C)(C)CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336759115 386648482 /nfs/dbraw/zinc/64/84/82/386648482.db2.gz IQKYWVJNHYQMDQ-VHSXEESVSA-N 1 0 228.336 1.058 10 0 BDAERO C[C@@H]1SCC[C@@H]1N1CC[NH2+]C[C@H]1C ZINC000307429539 386650231 /nfs/dbraw/zinc/65/02/31/386650231.db2.gz VINZSECNKMYVST-UTLUCORTSA-N 1 0 200.351 1.174 10 0 BDAERO C[C@@H]1SCC[C@H]1N1CC[NH2+]C[C@@H]1C ZINC000307429538 386650493 /nfs/dbraw/zinc/65/04/93/386650493.db2.gz VINZSECNKMYVST-LPEHRKFASA-N 1 0 200.351 1.174 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000050394239 386674674 /nfs/dbraw/zinc/67/46/74/386674674.db2.gz RSYRSALMVHJDKZ-LLVKDONJSA-N 1 0 238.718 1.708 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC000335480672 386706415 /nfs/dbraw/zinc/70/64/15/386706415.db2.gz SEUJQBFXCJBCIR-CMPLNLGQSA-N 1 0 236.359 1.823 10 0 BDAERO C[C@H](CN[C@@H](C)c1cncs1)C[NH+](C)C ZINC000293338586 386816037 /nfs/dbraw/zinc/81/60/37/386816037.db2.gz GLHPESFARXANIO-ZJUUUORDSA-N 1 0 227.377 1.991 10 0 BDAERO c1cn([C@H]2CC[N@@H+](C3CCCC3)C2)nn1 ZINC000585379653 386852423 /nfs/dbraw/zinc/85/24/23/386852423.db2.gz OCZCITFVNSLBMZ-NSHDSACASA-N 1 0 206.293 1.468 10 0 BDAERO Cc1cccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC000334818777 386946522 /nfs/dbraw/zinc/94/65/22/386946522.db2.gz FEURLEQPYOAVHU-LSDHHAIUSA-N 1 0 246.354 1.476 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCCc2c1cnn2C ZINC000396608675 386947402 /nfs/dbraw/zinc/94/74/02/386947402.db2.gz DALTUSMVXKMNLR-WCFLWFBJSA-N 1 0 248.374 1.528 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCCc2c1cnn2C ZINC000396608671 386947669 /nfs/dbraw/zinc/94/76/69/386947669.db2.gz DALTUSMVXKMNLR-DRZSPHRISA-N 1 0 248.374 1.528 10 0 BDAERO Cc1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c(C)c1 ZINC000334818874 386947845 /nfs/dbraw/zinc/94/78/45/386947845.db2.gz HOBMRNYHXTWFIN-LSDHHAIUSA-N 1 0 246.354 1.476 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1S[C@H]1CCOC1 ZINC000575574907 386979539 /nfs/dbraw/zinc/97/95/39/386979539.db2.gz CGQAONIJMAAKIM-RGOKHQFPSA-N 1 0 201.335 1.634 10 0 BDAERO CC(C)C[N@@H+]1Cc2ccoc2C[C@@H]1CO ZINC000575407893 387008380 /nfs/dbraw/zinc/00/83/80/387008380.db2.gz ICIDKUQWINTXSZ-LLVKDONJSA-N 1 0 209.289 1.655 10 0 BDAERO Nc1ccc(Cl)c(NC2=[NH+]CCN2)c1 ZINC000140005148 386993980 /nfs/dbraw/zinc/99/39/80/386993980.db2.gz FUOMPLGTAUDSFS-UHFFFAOYSA-N 1 0 210.668 1.293 10 0 BDAERO CC[C@@H]1CS[C@]2(CCC[NH2+]CC2)N1 ZINC000575575811 387004531 /nfs/dbraw/zinc/00/45/31/387004531.db2.gz NTCSWBWHMKXVBZ-ZJUUUORDSA-N 1 0 200.351 1.571 10 0 BDAERO [NH3+][C@H]1CCOc2ncc(Br)cc21 ZINC000238607769 387032588 /nfs/dbraw/zinc/03/25/88/387032588.db2.gz NXCZJKUGVZVXDB-ZETCQYMHSA-N 1 0 229.077 1.626 10 0 BDAERO Cn1nc(Br)cc1[C@H]1CC[NH2+]C1 ZINC000575462782 387033257 /nfs/dbraw/zinc/03/32/57/387033257.db2.gz REVVIFJJBGGVRI-LURJTMIESA-N 1 0 230.109 1.260 10 0 BDAERO [NH3+][C@H]1COC[C@H]1c1occc1Br ZINC000575462165 387033971 /nfs/dbraw/zinc/03/39/71/387033971.db2.gz WNXHIIAGWFIBMV-VDTYLAMSSA-N 1 0 232.077 1.483 10 0 BDAERO Cc1nnc(C[C@@H]2CSC[C@@H]2[NH3+])s1 ZINC000575459583 387035893 /nfs/dbraw/zinc/03/58/93/387035893.db2.gz HGJPPKUSWPNBEY-RQJHMYQMSA-N 1 0 215.347 1.079 10 0 BDAERO O[C@@H](c1ccsc1)[C@H]1CSCC[NH2+]1 ZINC000575463008 387043420 /nfs/dbraw/zinc/04/34/20/387043420.db2.gz ZZLMDQDLHJERQU-BDAKNGLRSA-N 1 0 215.343 1.487 10 0 BDAERO Cc1cc(N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc[nH+]1 ZINC000399064284 387051665 /nfs/dbraw/zinc/05/16/65/387051665.db2.gz JUBBQMPLWIQNSW-SGMGOOAPSA-N 1 0 232.327 1.987 10 0 BDAERO [NH3+]C1(Cc2sccc2Br)COC1 ZINC000575580843 387053596 /nfs/dbraw/zinc/05/35/96/387053596.db2.gz HOGLUUQLQNVERP-UHFFFAOYSA-N 1 0 248.145 1.781 10 0 BDAERO Cc1nc(C(=O)N2CCN3CCCC[C@H]3C2)c[nH]1 ZINC000264861840 387054768 /nfs/dbraw/zinc/05/47/68/387054768.db2.gz PMEFTMVSVDLKGS-NSHDSACASA-N 1 0 248.330 1.028 10 0 BDAERO Cn1c(Cl)ncc1[C@H]([NH3+])C1CSC1 ZINC000575465948 387062599 /nfs/dbraw/zinc/06/25/99/387062599.db2.gz MCKHQZRIQDJISZ-SSDOTTSWSA-N 1 0 217.725 1.436 10 0 BDAERO OC[C@H]1[NH2+]CC[C@@]12CCCSCC2 ZINC000575454641 387025594 /nfs/dbraw/zinc/02/55/94/387025594.db2.gz NUOQRWKLLQLKEP-NXEZZACHSA-N 1 0 201.335 1.244 10 0 BDAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1cc(Br)nn1C ZINC000575455524 387027783 /nfs/dbraw/zinc/02/77/83/387027783.db2.gz MKPHLKMNLWYBIK-LYFYHCNISA-N 1 0 244.136 1.633 10 0 BDAERO CC(C)n1ccnc1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000334983331 387070075 /nfs/dbraw/zinc/07/00/75/387070075.db2.gz HTABOPGIVABDQJ-RYUDHWBXSA-N 1 0 236.363 1.646 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000336235960 387073041 /nfs/dbraw/zinc/07/30/41/387073041.db2.gz BEILJAFDTXAWJI-AAEUAGOBSA-N 1 0 229.364 1.630 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2cccn2C)c1 ZINC000119126376 387096638 /nfs/dbraw/zinc/09/66/38/387096638.db2.gz XPWKFPSDGWSTMX-UHFFFAOYSA-N 1 0 218.304 1.320 10 0 BDAERO C[C@H]1CSC[C@@]1([NH3+])c1cnsc1 ZINC000575470979 387105630 /nfs/dbraw/zinc/10/56/30/387105630.db2.gz WGENKKGQUPYOPJ-XPUUQOCRSA-N 1 0 200.332 1.680 10 0 BDAERO CC(C)([NH3+])[C@H](O)c1cncc(Cl)c1 ZINC000575584931 387142789 /nfs/dbraw/zinc/14/27/89/387142789.db2.gz ZMNLWSUMYOKWRG-MRVPVSSYSA-N 1 0 200.669 1.506 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CC[C@@H]1O ZINC000186847465 387147439 /nfs/dbraw/zinc/14/74/39/387147439.db2.gz KPSNVGSKMNSJPE-RABLLNBGSA-N 1 0 247.338 1.347 10 0 BDAERO O=C1Nc2ccc(F)cc2[C@]12CC[NH2+]C2 ZINC000107147278 387153464 /nfs/dbraw/zinc/15/34/64/387153464.db2.gz REOJXDBSACKTOM-LLVKDONJSA-N 1 0 206.220 1.009 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(Cl)c(O)c1 ZINC000106880005 387154668 /nfs/dbraw/zinc/15/46/68/387154668.db2.gz RUWOZTMCZIHNET-SECBINFHSA-N 1 0 201.653 1.298 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CNc2[nH+]ccn2C1 ZINC000536948622 387160465 /nfs/dbraw/zinc/16/04/65/387160465.db2.gz BVSVVYZTILAZNT-MRVPVSSYSA-N 1 0 238.291 1.202 10 0 BDAERO CCC1(CC)C[NH2+]C[C@@H]1c1ccnn1C ZINC000536951000 387163766 /nfs/dbraw/zinc/16/37/66/387163766.db2.gz NMQWSVHGOYRFMP-SNVBAGLBSA-N 1 0 207.321 1.913 10 0 BDAERO CC(C)Oc1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000536953170 387165040 /nfs/dbraw/zinc/16/50/40/387165040.db2.gz HWRYYFYWUHQVAZ-SNVBAGLBSA-N 1 0 209.293 1.595 10 0 BDAERO COc1ccc([C@H](C[NH3+])C2(CO)CCC2)cc1 ZINC000536953818 387166605 /nfs/dbraw/zinc/16/66/05/387166605.db2.gz KCMWXMUGHLJTQB-ZDUSSCGKSA-N 1 0 235.327 1.900 10 0 BDAERO CC[C@]1(C(=O)N[C@H](C)c2ccncc2)CC[NH2+]C1 ZINC000062890660 387176957 /nfs/dbraw/zinc/17/69/57/387176957.db2.gz SDQQMZHXZGMCOS-RISCZKNCSA-N 1 0 247.342 1.649 10 0 BDAERO Cn1cc(Br)c([C@@H]([NH3+])C2CC2)n1 ZINC000575481553 387188776 /nfs/dbraw/zinc/18/87/76/387188776.db2.gz HGBYXZBWKHGUNA-ZETCQYMHSA-N 1 0 230.109 1.592 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCOC2)CC(C)(C)C1 ZINC000229636891 387190682 /nfs/dbraw/zinc/19/06/82/387190682.db2.gz DMUKWVQRQARHQV-BZPMIXESSA-N 1 0 241.375 1.942 10 0 BDAERO Clc1ccc2[nH]nc(C3=NCCN3)c2c1 ZINC000575441121 387137740 /nfs/dbraw/zinc/13/77/40/387137740.db2.gz BZZNVZNCWQVYIO-UHFFFAOYSA-N 1 0 220.663 1.566 10 0 BDAERO C[C@@H]1C[C@H](N)C[N@@H+]1[C@@H]1CCCSC1 ZINC000575590995 387204530 /nfs/dbraw/zinc/20/45/30/387204530.db2.gz IOYITDIOMCNVOG-KXUCPTDWSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000300422601 387211191 /nfs/dbraw/zinc/21/11/91/387211191.db2.gz JEEFFLXPCBKUKL-GVXVVHGQSA-N 1 0 245.363 1.320 10 0 BDAERO O=C1CN(C2CCC2)CCN1c1cccs1 ZINC000187727100 387231515 /nfs/dbraw/zinc/23/15/15/387231515.db2.gz WCFHOZSXBZCJJC-UHFFFAOYSA-N 1 0 236.340 1.949 10 0 BDAERO Cc1c(C[NH2+]C[C@@H](O)CC(C)(C)C)cnn1C ZINC000229811437 387200632 /nfs/dbraw/zinc/20/06/32/387200632.db2.gz YLAIFSPCMHKSOF-LBPRGKRZSA-N 1 0 239.363 1.615 10 0 BDAERO CCC[C@H](C(=O)NCc1cccc(C)n1)[NH+](C)C ZINC000161675532 387255478 /nfs/dbraw/zinc/25/54/78/387255478.db2.gz XQTJUFRYHFBABI-CYBMUJFWSA-N 1 0 249.358 1.737 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1F ZINC000188196783 387257502 /nfs/dbraw/zinc/25/75/02/387257502.db2.gz JKQFPFVRYLTDJG-GZMMTYOYSA-N 1 0 240.253 1.773 10 0 BDAERO CC(C)[C@@H]1C[C@]2(CO1)[NH2+]CCCS2 ZINC000575501642 387346556 /nfs/dbraw/zinc/34/65/56/387346556.db2.gz NLHJJMWPEPTRDT-UWVGGRQHSA-N 1 0 201.335 1.854 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](c2nc(C3CCCC3)no2)C1 ZINC000037756559 387442901 /nfs/dbraw/zinc/44/29/01/387442901.db2.gz PNBFXVNLHDOUGY-NXEZZACHSA-N 1 0 237.303 1.777 10 0 BDAERO COC(=O)c1cccnc1CN1CC[C@@H](C)C1 ZINC000304191595 387448064 /nfs/dbraw/zinc/44/80/64/387448064.db2.gz VBOKNLJCNDDVON-SNVBAGLBSA-N 1 0 234.299 1.710 10 0 BDAERO C[C@@H]1CS[C@@]2(CC[NH2+]C(C)(C)C2)N1 ZINC000575512889 387385560 /nfs/dbraw/zinc/38/55/60/387385560.db2.gz UUVSYVBUBWCCJH-PSASIEDQSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]1CC[C@@H](C)N1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000515500057 387391345 /nfs/dbraw/zinc/39/13/45/387391345.db2.gz PJHRISVMOCXFAR-UTUOFQBUSA-N 1 0 224.348 1.776 10 0 BDAERO Cc1ccc([C@@H]2C[C@@H](O)[C@@](C)(O)C[N@H+]2C)c(C)c1 ZINC000033895860 387398438 /nfs/dbraw/zinc/39/84/38/387398438.db2.gz BXHUHAQDRAWEPJ-ZNMIVQPWSA-N 1 0 249.354 1.792 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1ccccc1Br ZINC000575514963 387419873 /nfs/dbraw/zinc/41/98/73/387419873.db2.gz NKKHQYQUEAQLFX-QMMMGPOBSA-N 1 0 241.132 1.987 10 0 BDAERO C[N@H+](CCCn1ccnc1)[C@H]1CCC[C@H]1O ZINC000352657852 387422390 /nfs/dbraw/zinc/42/23/90/387422390.db2.gz HNFPYEBOZGDWPF-NWDGAFQWSA-N 1 0 223.320 1.118 10 0 BDAERO CCCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040458125 387498956 /nfs/dbraw/zinc/49/89/56/387498956.db2.gz URHADIBOYNHFGM-LBPRGKRZSA-N 1 0 236.315 1.178 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccccc2)C1 ZINC000040629300 387499299 /nfs/dbraw/zinc/49/92/99/387499299.db2.gz ZLOOSZKNSYWNBY-GHMZBOCLSA-N 1 0 220.272 1.002 10 0 BDAERO COC(=O)c1cc(F)cc2c1C[NH2+]CC2 ZINC000584640902 387507069 /nfs/dbraw/zinc/50/70/69/387507069.db2.gz MTPRGNHWPPYECH-UHFFFAOYSA-N 1 0 209.220 1.258 10 0 BDAERO Cc1noc(C)c1CNC[C@H]1CCC[NH2+]C1 ZINC000045949202 387513248 /nfs/dbraw/zinc/51/32/48/387513248.db2.gz ONHRKRXZTOAIAX-NSHDSACASA-N 1 0 223.320 1.381 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324717275 387513287 /nfs/dbraw/zinc/51/32/87/387513287.db2.gz FPVCACWGCXIVRM-ZIAGYGMSSA-N 1 0 238.375 1.485 10 0 BDAERO CCCCOC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000113164241 387544359 /nfs/dbraw/zinc/54/43/59/387544359.db2.gz HRBSZVSIZQAYTP-GFCCVEGCSA-N 1 0 240.347 1.110 10 0 BDAERO C[C@@H]1CN(C/C=C/Cl)C[C@@H](C)C1[NH3+] ZINC000575526850 387531184 /nfs/dbraw/zinc/53/11/84/387531184.db2.gz ZSEOENUUHBVPGT-HUGTUPKYSA-N 1 0 202.729 1.654 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1CNC(=O)C(F)(F)F ZINC000575539243 387583449 /nfs/dbraw/zinc/58/34/49/387583449.db2.gz UYSIXVCKKSLWLA-BQBZGAKWSA-N 1 0 224.226 1.053 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000123569586 387585537 /nfs/dbraw/zinc/58/55/37/387585537.db2.gz WQNKWMRQLAPMJR-RYUDHWBXSA-N 1 0 238.335 1.076 10 0 BDAERO CC[C@@H]([NH3+])CNc1ccc(OC(F)F)cn1 ZINC000327759596 387586837 /nfs/dbraw/zinc/58/68/37/387586837.db2.gz NMRZMYJUOOWFSI-SSDOTTSWSA-N 1 0 231.246 1.832 10 0 BDAERO C/C=C/[C@H]([NH3+])c1cnn(C)c1Br ZINC000575544398 387594134 /nfs/dbraw/zinc/59/41/34/387594134.db2.gz FIKLWKCGMYGEMP-SDLBARTOSA-N 1 0 230.109 1.759 10 0 BDAERO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cscn1 ZINC000643512562 387596412 /nfs/dbraw/zinc/59/64/12/387596412.db2.gz ZHXMUIDUBVPHRJ-GUBZILKMSA-N 1 0 225.361 1.921 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000124105439 387604461 /nfs/dbraw/zinc/60/44/61/387604461.db2.gz CRHAVRLUMUVYKF-QWHCGFSZSA-N 1 0 248.374 1.406 10 0 BDAERO C[NH2+][C@H]1COC[C@H]1c1occc1Br ZINC000575531730 387548190 /nfs/dbraw/zinc/54/81/90/387548190.db2.gz RVPWNXJTKUILOU-SVRRBLITSA-N 1 0 246.104 1.744 10 0 BDAERO [NH3+]C[C@H]1C[C@@H]1c1ccncc1Br ZINC000575546715 387632428 /nfs/dbraw/zinc/63/24/28/387632428.db2.gz ULJOHXDVCAIYEJ-SVRRBLITSA-N 1 0 227.105 1.906 10 0 BDAERO C[C@@H]1C[C@@]([NH3+])(c2cnsc2)CS1 ZINC000575572856 387743125 /nfs/dbraw/zinc/74/31/25/387743125.db2.gz QQLRBDLLSPIXOB-SVRRBLITSA-N 1 0 200.332 1.823 10 0 BDAERO C[C@H]1C[C@@]([NH3+])(C2CCOCC2)CS1 ZINC000575573450 387754265 /nfs/dbraw/zinc/75/42/65/387754265.db2.gz VXOOIMNAFGACIZ-WPRPVWTQSA-N 1 0 201.335 1.636 10 0 BDAERO C[C@H]1SCC[C@]1([NH3+])Cc1nccs1 ZINC000575558901 387699297 /nfs/dbraw/zinc/69/92/97/387699297.db2.gz DRYNLAUQSOLQRI-APPZFPTMSA-N 1 0 214.359 1.909 10 0 BDAERO Cc1nc(C[C@@H]2CCC[N@H+](CCCF)C2)no1 ZINC000127655587 387721630 /nfs/dbraw/zinc/72/16/30/387721630.db2.gz LUUFDMLSXMRYEZ-NSHDSACASA-N 1 0 241.310 1.992 10 0 BDAERO OC1CC(C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000527815684 387733692 /nfs/dbraw/zinc/73/36/92/387733692.db2.gz NXSRJWPYOVFWAV-UHFFFAOYSA-N 1 0 231.299 1.423 10 0 BDAERO C[C@H]([NH3+])CCNc1ccc(OC(F)F)cn1 ZINC000328104636 387873051 /nfs/dbraw/zinc/87/30/51/387873051.db2.gz WNDBBYKOPIECQH-ZETCQYMHSA-N 1 0 231.246 1.832 10 0 BDAERO CC(C)OCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194172972 387873824 /nfs/dbraw/zinc/87/38/24/387873824.db2.gz PYBJEUHOCCCNEF-FRRDWIJNSA-N 1 0 239.359 1.959 10 0 BDAERO Cc1nc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)oc1C ZINC000193654002 387859088 /nfs/dbraw/zinc/85/90/88/387859088.db2.gz JXEYXDPEIPGMIW-TXEJJXNPSA-N 1 0 235.331 1.285 10 0 BDAERO CC[C@H](C)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000151310589 387815315 /nfs/dbraw/zinc/81/53/15/387815315.db2.gz FJTSZYNZXUKCES-NWDGAFQWSA-N 1 0 214.353 1.221 10 0 BDAERO [NH3+]Cc1cc(=O)c(OCc2ccccc2)co1 ZINC000036259216 387892160 /nfs/dbraw/zinc/89/21/60/387892160.db2.gz CNWWNLNRJOUVKM-UHFFFAOYSA-N 1 0 231.251 1.678 10 0 BDAERO CCCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195066949 387902150 /nfs/dbraw/zinc/90/21/50/387902150.db2.gz KXIVTQNEJJMGQO-GFCCVEGCSA-N 1 0 224.348 1.873 10 0 BDAERO CCCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195066963 387903232 /nfs/dbraw/zinc/90/32/32/387903232.db2.gz KXIVTQNEJJMGQO-LBPRGKRZSA-N 1 0 224.348 1.873 10 0 BDAERO CC(C)[NH2+]CCCNc1ncnc2[nH]ccc21 ZINC000582775838 387910175 /nfs/dbraw/zinc/91/01/75/387910175.db2.gz OOJFABZJWMDBAR-UHFFFAOYSA-N 1 0 233.319 1.710 10 0 BDAERO CO[C@@H](C)CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195447310 387915508 /nfs/dbraw/zinc/91/55/08/387915508.db2.gz RMMCEKNNPOMFSU-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO Cn1cc(CN2CCC[N@@H+](C3CC3)CC2)cn1 ZINC000195432914 387916489 /nfs/dbraw/zinc/91/64/89/387916489.db2.gz QSIJSVPRTATJRM-UHFFFAOYSA-N 1 0 234.347 1.090 10 0 BDAERO Cc1cc(C)c(C(N)=[NH2+])c(O[C@H]2CCOC2)n1 ZINC000104117415 177839123 /nfs/dbraw/zinc/83/91/23/177839123.db2.gz XRPBVLUDMCHFLK-VIFPVBQESA-N 1 0 235.287 1.150 10 0 BDAERO CC[C@](C)(C[NH2+]C[C@@H]1CCCC[C@@H]1O)OC ZINC000322641516 387949186 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ZINC000085590948 388092026 /nfs/dbraw/zinc/09/20/26/388092026.db2.gz PNGXBVVDTNNIGD-CYBMUJFWSA-N 1 0 221.348 1.599 10 0 BDAERO O=C1CC[NH2+]C[C@@H]1Cc1ccccc1F ZINC000071510264 388096335 /nfs/dbraw/zinc/09/63/35/388096335.db2.gz CMBIGJYNZQVZJY-JTQLQIEISA-N 1 0 207.248 1.547 10 0 BDAERO CC(C)[C@@H]([NH3+])[C@@H](O)c1ccc2c(c1)OCO2 ZINC000071524870 388096888 /nfs/dbraw/zinc/09/68/88/388096888.db2.gz GBYVUMGRUZWNFF-NEPJUHHUSA-N 1 0 223.272 1.432 10 0 BDAERO CCOCCN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000086491042 388103269 /nfs/dbraw/zinc/10/32/69/388103269.db2.gz JXCLXAPWLHQXBM-CHWSQXEVSA-N 1 0 226.364 1.582 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOC ZINC000086930744 388111031 /nfs/dbraw/zinc/11/10/31/388111031.db2.gz FHJJFYYLTWPDRG-QWHCGFSZSA-N 1 0 226.364 1.582 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCc1ccccn1 ZINC000646256715 388170889 /nfs/dbraw/zinc/17/08/89/388170889.db2.gz FKIFAMMUBRNVBN-ZDUSSCGKSA-N 1 0 249.358 1.504 10 0 BDAERO CCc1noc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000646094018 388141637 /nfs/dbraw/zinc/14/16/37/388141637.db2.gz PKVGKLJSXAQEAH-IVZWLZJFSA-N 1 0 221.304 1.910 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000492012345 388331533 /nfs/dbraw/zinc/33/15/33/388331533.db2.gz XZPIOHXWYXDETR-FJOGCWAESA-N 1 0 233.315 1.190 10 0 BDAERO CC(C)([NH3+])CNc1ncnc2ccccc21 ZINC000096470252 256587454 /nfs/dbraw/zinc/58/74/54/256587454.db2.gz KKCJAABVSQJTIK-UHFFFAOYSA-N 1 0 216.288 1.779 10 0 BDAERO O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000409424122 256601445 /nfs/dbraw/zinc/60/14/45/256601445.db2.gz FFNMJVVJCULJJT-CYBMUJFWSA-N 1 0 246.310 1.776 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1cccc(Br)c1 ZINC000575515825 388349589 /nfs/dbraw/zinc/34/95/89/388349589.db2.gz UCHKHWGJXLVTCF-JTQLQIEISA-N 1 0 241.132 1.987 10 0 BDAERO C[NH2+][C@@H]1CO[C@@]2(C1)CCCSCC2 ZINC000575518839 388356076 /nfs/dbraw/zinc/35/60/76/388356076.db2.gz WPIOJFQTHATFFP-UWVGGRQHSA-N 1 0 201.335 1.651 10 0 BDAERO CCNC(=[NH2+])Nc1cnn(C)c1Cl ZINC000575522984 388359105 /nfs/dbraw/zinc/35/91/05/388359105.db2.gz LWMPQSVIFFCPRJ-UHFFFAOYSA-N 1 0 201.661 1.030 10 0 BDAERO C[C@@H]1CCC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000230173942 388362401 /nfs/dbraw/zinc/36/24/01/388362401.db2.gz OMFQSGFAIYJJRG-GHMZBOCLSA-N 1 0 224.348 1.633 10 0 BDAERO Cc1cn(-c2ccc(C[NH3+])cc2F)cn1 ZINC000230502022 388369637 /nfs/dbraw/zinc/36/96/37/388369637.db2.gz UHPRGLNDNQMUBR-UHFFFAOYSA-N 1 0 205.236 1.779 10 0 BDAERO CCC[C@@H](C(=O)N1CCC[C@@H](OC)C1)[NH+](C)C ZINC000179184289 256668053 /nfs/dbraw/zinc/66/80/53/256668053.db2.gz QEPMNTXINQPEAW-NEPJUHHUSA-N 1 0 242.363 1.354 10 0 BDAERO CC[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000059394565 388395616 /nfs/dbraw/zinc/39/56/16/388395616.db2.gz YAXQFMWHBFCHMM-STQMWFEESA-N 1 0 204.317 1.856 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)C[C@@H]1[NH3+] ZINC000300984900 388396532 /nfs/dbraw/zinc/39/65/32/388396532.db2.gz SNNITBVOBHPVAZ-BBBLOLIVSA-N 1 0 218.291 1.701 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@H]2CCO[C@H]21 ZINC000631669118 388402841 /nfs/dbraw/zinc/40/28/41/388402841.db2.gz CYSDEIBIROWNEK-IYKVGLELSA-N 1 0 225.332 1.160 10 0 BDAERO COC[C@H](C(C)C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000393813506 388443105 /nfs/dbraw/zinc/44/31/05/388443105.db2.gz DBPQGUXXKTYDDE-JHJVBQTASA-N 1 0 228.380 1.574 10 0 BDAERO C[C@](O)(c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000071518305 388444971 /nfs/dbraw/zinc/44/49/71/388444971.db2.gz OJBZEZWCQGJAJF-MWLCHTKSSA-N 1 0 211.330 1.955 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC1CCOCC1 ZINC000335598197 388451797 /nfs/dbraw/zinc/45/17/97/388451797.db2.gz VEVJQXUXXKCFLA-YPMHNXCESA-N 1 0 227.348 1.648 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](CCc2cccnc2)C1 ZINC000335587923 388451906 /nfs/dbraw/zinc/45/19/06/388451906.db2.gz BIMNKRXEBCCFSO-WCQYABFASA-N 1 0 220.316 1.327 10 0 BDAERO C[C@@H](Nc1nc2ccccc2n1C)[C@H](C)[NH3+] ZINC000335898810 388455419 /nfs/dbraw/zinc/45/54/19/388455419.db2.gz XAKSVTPTAMCTBI-DTWKUNHWSA-N 1 0 218.304 1.143 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1nc2ccccc2n1C ZINC000335898812 388455725 /nfs/dbraw/zinc/45/57/25/388455725.db2.gz XAKSVTPTAMCTBI-IUCAKERBSA-N 1 0 218.304 1.143 10 0 BDAERO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000309710944 388462128 /nfs/dbraw/zinc/46/21/28/388462128.db2.gz QPZFJDIQMZCRLD-OUAUKWLOSA-N 1 0 226.320 1.653 10 0 BDAERO CC[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)OC ZINC000336685496 388462230 /nfs/dbraw/zinc/46/22/30/388462230.db2.gz UGLLZFVMEAWYDA-YNEHKIRRSA-N 1 0 226.364 1.580 10 0 BDAERO CC[C@@](C)(O)C[N@H+](C)CCCCOC ZINC000397450104 388470171 /nfs/dbraw/zinc/47/01/71/388470171.db2.gz JROOECZBPFAXBZ-LLVKDONJSA-N 1 0 203.326 1.506 10 0 BDAERO CC[N@@H+]1CC[C@@H](Nc2nc(C)ns2)C1 ZINC000307276684 388422473 /nfs/dbraw/zinc/42/24/73/388422473.db2.gz QSRDWNKRIXWNLF-MRVPVSSYSA-N 1 0 212.322 1.353 10 0 BDAERO COCCC1CC[NH+](CC(C)(C)O)CC1 ZINC000528573267 388548141 /nfs/dbraw/zinc/54/81/41/388548141.db2.gz HXOKHPGFHQRWTG-UHFFFAOYSA-N 1 0 215.337 1.506 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378682637 388482903 /nfs/dbraw/zinc/48/29/03/388482903.db2.gz YBYKFYBUIFBXLV-ILAIQSSSSA-N 1 0 208.305 1.042 10 0 BDAERO CSC[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339507705 388484269 /nfs/dbraw/zinc/48/42/69/388484269.db2.gz MCHCDISQQXRPHX-SECBINFHSA-N 1 0 203.351 1.489 10 0 BDAERO CC(C)C1([NH2+]Cc2nnnn2C2CC2)CC1 ZINC000339518624 388484854 /nfs/dbraw/zinc/48/48/54/388484854.db2.gz XHWQXZKRJVJSLS-UHFFFAOYSA-N 1 0 221.308 1.286 10 0 BDAERO CC(C)C1([NH2+]CC(=O)NCC(F)(F)F)CC1 ZINC000339514654 388485604 /nfs/dbraw/zinc/48/56/04/388485604.db2.gz CKZRDUNBJQUBBP-UHFFFAOYSA-N 1 0 238.253 1.443 10 0 BDAERO c1cnc2c(c1)nccc2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000341020914 388494148 /nfs/dbraw/zinc/49/41/48/388494148.db2.gz VKFGYXITVDBKMJ-PHIMTYICSA-N 1 0 240.310 1.285 10 0 BDAERO COc1c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(C)nn1C ZINC000397750981 388496380 /nfs/dbraw/zinc/49/63/80/388496380.db2.gz MHFXEXPVAYUFFG-JGPRNRPPSA-N 1 0 235.331 1.625 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000344048933 388504689 /nfs/dbraw/zinc/50/46/89/388504689.db2.gz VHZAIOLHHLWBHH-NWANDNLSSA-N 1 0 249.354 1.872 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C/C=C\c2ccccc2)C1 ZINC000344093611 388504953 /nfs/dbraw/zinc/50/49/53/388504953.db2.gz GPJXKDGDMZDMEJ-DNWYELSFSA-N 1 0 247.338 1.781 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cocn1 ZINC000397997577 388515016 /nfs/dbraw/zinc/51/50/16/388515016.db2.gz QZWHACCQLXCKIL-YPMHNXCESA-N 1 0 235.331 1.733 10 0 BDAERO CCN(CC)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000136162140 388525032 /nfs/dbraw/zinc/52/50/32/388525032.db2.gz VDJIZHPUAZREMI-LLVKDONJSA-N 1 0 227.352 1.522 10 0 BDAERO C[NH+](C)CC[C@H]1CCc2ccccc2N1N ZINC000082288058 388586865 /nfs/dbraw/zinc/58/68/65/388586865.db2.gz KTMDJWZLKXCXDZ-GFCCVEGCSA-N 1 0 219.332 1.633 10 0 BDAERO CC[C@@H](C)[S@](=O)C1CCC([NH3+])CC1 ZINC000055144822 388596424 /nfs/dbraw/zinc/59/64/24/388596424.db2.gz FIJLOPGXOCWZIU-JOGKNCMKSA-N 1 0 203.351 1.804 10 0 BDAERO C[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1C(=O)OC(C)(C)C ZINC000253486172 388603482 /nfs/dbraw/zinc/60/34/82/388603482.db2.gz VEEZFCAEVMLWEO-KXUCPTDWSA-N 1 0 226.320 1.461 10 0 BDAERO CSC1(C[NH2+][C@H]2CCc3nccn3C2)CC1 ZINC000368566194 388569548 /nfs/dbraw/zinc/56/95/48/388569548.db2.gz HETZLPOMSWSZCF-JTQLQIEISA-N 1 0 237.372 1.683 10 0 BDAERO CC(C)CCOCC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000385059417 388573368 /nfs/dbraw/zinc/57/33/68/388573368.db2.gz UOCHBKGKPYYZIN-OLZOCXBDSA-N 1 0 229.364 1.894 10 0 BDAERO CC(C)CCOCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000385059419 388573772 /nfs/dbraw/zinc/57/37/72/388573772.db2.gz UOCHBKGKPYYZIN-STQMWFEESA-N 1 0 229.364 1.894 10 0 BDAERO CC(C)n1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000104227293 388582484 /nfs/dbraw/zinc/58/24/84/388582484.db2.gz MVXNHUABLPKDHF-MWLCHTKSSA-N 1 0 236.319 1.258 10 0 BDAERO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000224455974 388665361 /nfs/dbraw/zinc/66/53/61/388665361.db2.gz DLTIGWPASAOHGJ-IJLUTSLNSA-N 1 0 245.363 1.320 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246302016 388628641 /nfs/dbraw/zinc/62/86/41/388628641.db2.gz BGGOYOJRMHVQLJ-SVDPJWKOSA-N 1 0 237.347 1.319 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2cncn2C)C1 ZINC000247022180 388657896 /nfs/dbraw/zinc/65/78/96/388657896.db2.gz HLMNQKFDOHQEQZ-DGCLKSJQSA-N 1 0 236.363 1.238 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H]2CCCO2)[C@@H]2CCO[C@H]21 ZINC000227061928 388740301 /nfs/dbraw/zinc/74/03/01/388740301.db2.gz YNQBJWIDBLDZGN-WRWGMCAJSA-N 1 0 225.332 1.569 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000249097554 388708443 /nfs/dbraw/zinc/70/84/43/388708443.db2.gz MNSOPDOFODBEKM-MJBXVCDLSA-N 1 0 242.407 1.977 10 0 BDAERO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226230048 388711302 /nfs/dbraw/zinc/71/13/02/388711302.db2.gz HELPIYLUPXWOSZ-RBSFLKMASA-N 1 0 249.354 1.483 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)CSC ZINC000249275885 388713950 /nfs/dbraw/zinc/71/39/50/388713950.db2.gz 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SKBOBSWKZFJAMT-UHFFFAOYSA-N 1 0 249.310 1.318 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1[C@H]([NH3+])[C@H]2CCCO[C@H]21 ZINC000575454853 388778570 /nfs/dbraw/zinc/77/85/70/388778570.db2.gz ZSSLWNVEJLOZAO-ZYUZMQFOSA-N 1 0 242.319 1.016 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2CC[C@H](O)CC2)[C@@H]2CCO[C@H]21 ZINC000252744755 388779972 /nfs/dbraw/zinc/77/99/72/388779972.db2.gz TVXCGIPTSKSCQM-JZRPKSSGSA-N 1 0 239.359 1.693 10 0 BDAERO Cc1nccn1-c1ccc(C[NH3+])c(C)c1 ZINC000050585154 177696809 /nfs/dbraw/zinc/69/68/09/177696809.db2.gz VAZNGSQANFRVDA-UHFFFAOYSA-N 1 0 201.273 1.948 10 0 BDAERO CC1(C)OCC[C@@]1([NH3+])[C@@H]1CCSC1 ZINC000575464319 388831510 /nfs/dbraw/zinc/83/15/10/388831510.db2.gz JZVYAYCENCMVBN-PSASIEDQSA-N 1 0 201.335 1.636 10 0 BDAERO Cn1c(Cl)ncc1[C@@H](F)C1C[NH2+]C1 ZINC000575470677 388845110 /nfs/dbraw/zinc/84/51/10/388845110.db2.gz FTXFJBNXMVHENZ-ZETCQYMHSA-N 1 0 203.648 1.304 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2COC[C@@H]2C)S1 ZINC000575481739 388863479 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ZINC000261583050 135224365 /nfs/dbraw/zinc/22/43/65/135224365.db2.gz OUTJTNNGIDFBDP-VIFPVBQESA-N 1 0 205.305 1.369 10 0 BDAERO CO[C@@H](C)c1nsc(NC[C@H]([NH3+])C2CC2)n1 ZINC000261584564 135226153 /nfs/dbraw/zinc/22/61/53/135226153.db2.gz PYMALBSLWIVYJP-XPUUQOCRSA-N 1 0 242.348 1.395 10 0 BDAERO Cc1nccnc1N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261597429 135236456 /nfs/dbraw/zinc/23/64/56/135236456.db2.gz ZBHQUJGIYAEMDC-SNVBAGLBSA-N 1 0 220.320 1.349 10 0 BDAERO Clc1cncnc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261598501 135236794 /nfs/dbraw/zinc/23/67/94/135236794.db2.gz ZOZZJLVKJYZMPA-IUCAKERBSA-N 1 0 238.722 1.176 10 0 BDAERO Fc1cncc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261546229 135238337 /nfs/dbraw/zinc/23/83/37/135238337.db2.gz GRJAONUVJPJRNO-RYUDHWBXSA-N 1 0 235.306 1.262 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NCCC2CCOCC2)C1 ZINC000261546273 135238658 /nfs/dbraw/zinc/23/86/58/135238658.db2.gz GUJVNHCFXQNFIW-RYUDHWBXSA-N 1 0 240.347 1.047 10 0 BDAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccsc1Cl 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222.332 1.230 10 0 BDAERO CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262557585 135305243 /nfs/dbraw/zinc/30/52/43/135305243.db2.gz PUUAXERQFFWOHB-CKYFFXLPSA-N 1 0 224.348 1.489 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1ccnc2ccncc21 ZINC000262652234 135311417 /nfs/dbraw/zinc/31/14/17/135311417.db2.gz RQFMQRPQUMGKRY-JTQLQIEISA-N 1 0 244.298 1.696 10 0 BDAERO [NH3+]CCN1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000262964296 135324934 /nfs/dbraw/zinc/32/49/34/135324934.db2.gz LAKYMPCIIAQXNP-KBPBESRZSA-N 1 0 234.343 1.533 10 0 BDAERO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)C1C[NH2+]C1 ZINC000263240811 135341575 /nfs/dbraw/zinc/34/15/75/135341575.db2.gz CGHPEKWRUGEVMT-IINYFYTJSA-N 1 0 244.338 1.646 10 0 BDAERO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000263271889 135343367 /nfs/dbraw/zinc/34/33/67/135343367.db2.gz IFQZNUDOQWXZBS-ZIAGYGMSSA-N 1 0 244.338 1.658 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000080993931 135384452 /nfs/dbraw/zinc/38/44/52/135384452.db2.gz 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322861166 /nfs/dbraw/zinc/86/11/66/322861166.db2.gz URDXSEWUUAOVRR-ZCFIWIBFSA-N 1 0 219.210 1.860 10 0 BDAERO CCOCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151107237 397736028 /nfs/dbraw/zinc/73/60/28/397736028.db2.gz YXVLPYPMXVPXQY-CYBMUJFWSA-N 1 0 249.358 1.852 10 0 BDAERO Cn1c(C[NH3+])nnc1SC1CCCC1 ZINC000062152633 397734739 /nfs/dbraw/zinc/73/47/39/397734739.db2.gz LYCJLEWKWZWNRS-UHFFFAOYSA-N 1 0 212.322 1.309 10 0 BDAERO CC(C)[NH2+]CCCNc1ncnc2c1cnn2C ZINC000643003154 397830525 /nfs/dbraw/zinc/83/05/25/397830525.db2.gz XKWRQVCDOZSXKW-UHFFFAOYSA-N 1 0 248.334 1.163 10 0 BDAERO CO[C@H](C)C[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000408047189 397839998 /nfs/dbraw/zinc/83/99/98/397839998.db2.gz OLRACSBPXSSION-PSASIEDQSA-N 1 0 225.292 1.202 10 0 BDAERO Cc1cnn(CC[NH2+]C2CC(C)(C)C2)c1 ZINC000309100545 397849995 /nfs/dbraw/zinc/84/99/95/397849995.db2.gz GNEPYXMCICHPNP-UHFFFAOYSA-N 1 0 207.321 1.970 10 0 BDAERO C[NH+](C)CCC[C@@H]1CC[C@]2(O)CC=CC[C@]12O ZINC000039219916 397869541 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/nfs/dbraw/zinc/10/92/38/398109238.db2.gz DGFJONJRAVFWSF-KGLIPLIRSA-N 1 0 233.311 1.367 10 0 BDAERO CC(C)NC(=O)[C@@H](C[NH3+])Cc1ccc(O)cc1 ZINC000050304187 167082103 /nfs/dbraw/zinc/08/21/03/167082103.db2.gz QINSEZKIKJREDX-LLVKDONJSA-N 1 0 236.315 1.034 10 0 BDAERO CC(C)NC(=O)[C@H](CCC[NH3+])C(C)C ZINC000076582865 167083789 /nfs/dbraw/zinc/08/37/89/167083789.db2.gz QKCOKKOIFNXJRH-SNVBAGLBSA-N 1 0 200.326 1.522 10 0 BDAERO CC(C)[NH2+]C1(C(=O)[O-])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037183095 167093032 /nfs/dbraw/zinc/09/30/32/167093032.db2.gz AMHUNVRUKHGEGQ-DHHPTOIESA-N 1 0 226.320 1.064 10 0 BDAERO COCCCC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352667466 174188944 /nfs/dbraw/zinc/18/89/44/174188944.db2.gz KOPABZJXEIJHMN-MNOVXSKESA-N 1 0 201.310 1.258 10 0 BDAERO CC(C)[NH2+]CCCC(=O)NC1(CO)CCCC1 ZINC000053072057 167100679 /nfs/dbraw/zinc/10/06/79/167100679.db2.gz NSMBRQMBYXEBEN-UHFFFAOYSA-N 1 0 242.363 1.186 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000309641635 167105505 /nfs/dbraw/zinc/10/55/05/167105505.db2.gz UTBBOGKLZNWTOU-OLZOCXBDSA-N 1 0 226.364 1.343 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000041252121 177006931 /nfs/dbraw/zinc/00/69/31/177006931.db2.gz PAGDUQZADLZDNJ-IMTBSYHQSA-N 1 0 230.105 1.830 10 0 BDAERO CC(C)OCCN1CC(C)(C)[NH2+]CC1(C)C ZINC000062613996 167231259 /nfs/dbraw/zinc/23/12/59/167231259.db2.gz WKCHYMGANXNTLI-UHFFFAOYSA-N 1 0 228.380 1.874 10 0 BDAERO CC[N@H+](C[C@H](C)OC)[C@@H]1CCC[C@H]1O ZINC000383083004 487583257 /nfs/dbraw/zinc/58/32/57/487583257.db2.gz HIFBUUFSEXTEBN-HBNTYKKESA-N 1 0 201.310 1.257 10 0 BDAERO CCC[N@@H+]1CC[C@H](NCc2cnn(C)c2C)C1 ZINC000383093723 487586352 /nfs/dbraw/zinc/58/63/52/487586352.db2.gz XWMVVAPDWJSIJZ-ZDUSSCGKSA-N 1 0 236.363 1.302 10 0 BDAERO CC(C)[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000087045720 487600329 /nfs/dbraw/zinc/60/03/29/487600329.db2.gz LYRVNQZGCRCSTQ-QMMMGPOBSA-N 1 0 210.277 1.513 10 0 BDAERO CC(C)Oc1nc(C[NH3+])ccc1OC1CC1 ZINC000095738019 167311686 /nfs/dbraw/zinc/31/16/86/167311686.db2.gz NDOAVCGXFBDVQE-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO COc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)ccn1 ZINC000306099458 487606170 /nfs/dbraw/zinc/60/61/70/487606170.db2.gz OIZXGUODPYNZPX-JTQLQIEISA-N 1 0 249.314 1.418 10 0 BDAERO CC(C)[C@@H](C)[N@@H+]1CCCO[C@H](CN)C1 ZINC000306300619 487607558 /nfs/dbraw/zinc/60/75/58/487607558.db2.gz HQJFQLRRLRDYEF-GHMZBOCLSA-N 1 0 200.326 1.081 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC000662560343 409759854 /nfs/dbraw/zinc/75/98/54/409759854.db2.gz IFUWAOHWRKSARL-SNVBAGLBSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@]1(C)CC1(F)F ZINC000662665336 409826523 /nfs/dbraw/zinc/82/65/23/409826523.db2.gz HZWYPEDYDDCJKJ-WCBMZHEXSA-N 1 0 234.290 1.521 10 0 BDAERO Cc1ccncc1NC(=O)C1CCC([NH3+])CC1 ZINC000071414215 409980312 /nfs/dbraw/zinc/98/03/12/409980312.db2.gz XCBZPACQGKQQIH-UHFFFAOYSA-N 1 0 233.315 1.846 10 0 BDAERO COCCC[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000308912924 409937968 /nfs/dbraw/zinc/93/79/68/409937968.db2.gz MZQGSRUUGOIEPT-RYUDHWBXSA-N 1 0 215.337 1.506 10 0 BDAERO COc1cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)ccn1 ZINC000311022762 487612567 /nfs/dbraw/zinc/61/25/67/487612567.db2.gz VELOUZSTNMVBOX-CYBMUJFWSA-N 1 0 249.314 1.561 10 0 BDAERO Brc1cc2c(cn1)C[NH2+]CC2 ZINC000095774263 166095955 /nfs/dbraw/zinc/09/59/55/166095955.db2.gz LZIOMUZWWVKJDY-UHFFFAOYSA-N 1 0 213.078 1.490 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccn1 ZINC000128852112 410083853 /nfs/dbraw/zinc/08/38/53/410083853.db2.gz XXJATWYXDFKIKT-VIFPVBQESA-N 1 0 207.277 1.394 10 0 BDAERO CCC1(O)CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000653174574 410150267 /nfs/dbraw/zinc/15/02/67/410150267.db2.gz YIHXIGNAHSYUPP-NSHDSACASA-N 1 0 242.363 1.123 10 0 BDAERO CCCc1nccnc1NC[C@@H](C)[NH2+]C ZINC000663271965 410091277 /nfs/dbraw/zinc/09/12/77/410091277.db2.gz ITVRJFNOGWKPNC-SECBINFHSA-N 1 0 208.309 1.449 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000663278772 410092814 /nfs/dbraw/zinc/09/28/14/410092814.db2.gz LRTUFGCHAIMEDQ-SECBINFHSA-N 1 0 242.344 1.110 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nc([C@H](C)OC)ns1 ZINC000663278596 410093175 /nfs/dbraw/zinc/09/31/75/410093175.db2.gz KQFQSCUVHAHQCY-BQBZGAKWSA-N 1 0 230.337 1.265 10 0 BDAERO Brc1ccnn1[C@H]1CCC[NH2+]C1 ZINC000082348084 166102532 /nfs/dbraw/zinc/10/25/32/166102532.db2.gz KPHITIBIISKXEV-ZETCQYMHSA-N 1 0 230.109 1.570 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000309044083 410208705 /nfs/dbraw/zinc/20/87/05/410208705.db2.gz NDXRXRWWLFDCAT-KSSYENDESA-N 1 0 210.365 1.961 10 0 BDAERO Brc1cnccc1[C@@H]1CC[NH2+]C1 ZINC000211516701 166105534 /nfs/dbraw/zinc/10/55/34/166105534.db2.gz SJBCABNPLQVOGG-SSDOTTSWSA-N 1 0 227.105 1.921 10 0 BDAERO Brc1cnn(C[C@@H]2CCC[NH2+]C2)c1 ZINC000043472163 166106660 /nfs/dbraw/zinc/10/66/60/166106660.db2.gz APQUFACWYVNUFH-MRVPVSSYSA-N 1 0 244.136 1.645 10 0 BDAERO Brc1cncc([C@@H]2CC[NH2+]C2)c1 ZINC000211516898 166106932 /nfs/dbraw/zinc/10/69/32/166106932.db2.gz FNFPSSBFQIHSSV-SSDOTTSWSA-N 1 0 227.105 1.921 10 0 BDAERO CC[C@@H](C)N(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000128898642 410365556 /nfs/dbraw/zinc/36/55/56/410365556.db2.gz FKLVLSOITTUWSQ-ZJUUUORDSA-N 1 0 200.326 1.617 10 0 BDAERO CC(C)([NH3+])c1cn(CCc2cccnc2)nn1 ZINC000070118511 410665064 /nfs/dbraw/zinc/66/50/64/410665064.db2.gz ZYDBWJSORBRGMB-UHFFFAOYSA-N 1 0 231.303 1.110 10 0 BDAERO CC(C)(C)CC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038049024 166549361 /nfs/dbraw/zinc/54/93/61/166549361.db2.gz HQTLTPRMURVJIR-VHSXEESVSA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019487757 166625886 /nfs/dbraw/zinc/62/58/86/166625886.db2.gz HBEFDLUHDKKWJP-OUAUKWLOSA-N 1 0 224.348 1.822 10 0 BDAERO CC(C)(C)[NH2+]CCn1cc(Cl)cn1 ZINC000042410469 166631314 /nfs/dbraw/zinc/63/13/14/166631314.db2.gz UFUCQNCZQHXPIH-UHFFFAOYSA-N 1 0 201.701 1.925 10 0 BDAERO CC(C)(C)[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000033466046 166633385 /nfs/dbraw/zinc/63/33/85/166633385.db2.gz AGEZMDHREQLTLC-JTQLQIEISA-N 1 0 237.299 1.837 10 0 BDAERO CC(C)(C)OC(=O)NCC(=O)[C@@H]1CCC[NH2+]C1 ZINC000076686828 166659617 /nfs/dbraw/zinc/65/96/17/166659617.db2.gz FXPFMAUBDQTPEB-SECBINFHSA-N 1 0 242.319 1.080 10 0 BDAERO NC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000393345025 410677073 /nfs/dbraw/zinc/67/70/73/410677073.db2.gz DXNIBIMXJGDIJI-ADEWGFFLSA-N 1 0 237.347 1.308 10 0 BDAERO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc(F)cn1)C2 ZINC000393833453 410760625 /nfs/dbraw/zinc/76/06/25/410760625.db2.gz ODFRBHCJPRIUQW-GWCFXTLKSA-N 1 0 235.306 1.786 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCCc1ncc(C)cc1C ZINC000655488340 410792545 /nfs/dbraw/zinc/79/25/45/410792545.db2.gz FSJXKGRBRPINKV-LBPRGKRZSA-N 1 0 249.358 1.485 10 0 BDAERO CC[C@@H](C)[C@H](C[NH2+]CCn1cc(C)cn1)OC ZINC000394453491 410798251 /nfs/dbraw/zinc/79/82/51/410798251.db2.gz QEYUMTJIQQKUAI-OLZOCXBDSA-N 1 0 239.363 1.842 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000395241583 410843983 /nfs/dbraw/zinc/84/39/83/410843983.db2.gz KWDRJCBMEDZYFQ-FOGDFJRCSA-N 1 0 224.348 1.537 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@@H](CO)c1ccccc1 ZINC000395319725 410844560 /nfs/dbraw/zinc/84/45/60/410844560.db2.gz KXYYJDFQUORCAK-KBPBESRZSA-N 1 0 234.343 1.404 10 0 BDAERO CC(C)CN(CCC[NH3+])C(=O)[C@@H]1CCCCO1 ZINC000050958512 166956657 /nfs/dbraw/zinc/95/66/57/166956657.db2.gz PKLQYFZQTGZRCB-LBPRGKRZSA-N 1 0 242.363 1.389 10 0 BDAERO [NH3+]C1CCC(C(=O)Nc2cccc(O)c2)CC1 ZINC000040495326 410875994 /nfs/dbraw/zinc/87/59/94/410875994.db2.gz RAMOOLKNZBDVCM-UHFFFAOYSA-N 1 0 234.299 1.848 10 0 BDAERO CC(C)C[NH2+]Cc1cnc(-c2cnccn2)[nH]1 ZINC000062821646 167008191 /nfs/dbraw/zinc/00/81/91/167008191.db2.gz WIYBVNUJBJNMCR-UHFFFAOYSA-N 1 0 231.303 1.612 10 0 BDAERO CC(C)C[NH2+][C@H](C(N)=O)c1ccccc1F ZINC000037946262 167013365 /nfs/dbraw/zinc/01/33/65/167013365.db2.gz PSDZQCVCGKPWOB-NSHDSACASA-N 1 0 224.279 1.598 10 0 BDAERO CC(C)C[NH2+][C@H](C(N)=O)c1ccc(F)cc1F ZINC000037946159 167013715 /nfs/dbraw/zinc/01/37/15/167013715.db2.gz TWYGOVBPWGJVCM-NSHDSACASA-N 1 0 242.269 1.737 10 0 BDAERO CC(C)C[NH2+][C@](C)(CC(C)C)C(N)=O ZINC000037946158 167015073 /nfs/dbraw/zinc/01/50/73/167015073.db2.gz ONNBNYXVXQIJLQ-LLVKDONJSA-N 1 0 200.326 1.522 10 0 BDAERO CC(C)[N@H+]1C[C@H](Nc2ncccn2)[C@@H](C)C1 ZINC000129775871 167033086 /nfs/dbraw/zinc/03/30/86/167033086.db2.gz UPEFYRSUPBTXQD-QWRGUYRKSA-N 1 0 220.320 1.617 10 0 BDAERO CC(C)[N@H+]1C[C@H](Nc2cnccn2)[C@@H](C)C1 ZINC000129795208 167033514 /nfs/dbraw/zinc/03/35/14/167033514.db2.gz NQXYFWRSVNPUNC-QWRGUYRKSA-N 1 0 220.320 1.617 10 0 BDAERO CC(C)NC(=O)NC[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000051573944 167073082 /nfs/dbraw/zinc/07/30/82/167073082.db2.gz VFNQPVVKIANMIN-ZJUUUORDSA-N 1 0 213.325 1.225 10 0 BDAERO CC(C)NC(=O)[C@@H](CCC[NH3+])c1ccco1 ZINC000076611758 167081090 /nfs/dbraw/zinc/08/10/90/167081090.db2.gz ONVLBEVKKSQCFE-JTQLQIEISA-N 1 0 224.304 1.627 10 0 BDAERO CC(C)[NH2+]CCN1CCCC[C@@H](CO)C1 ZINC000309006052 167105393 /nfs/dbraw/zinc/10/53/93/167105393.db2.gz PVHISKPYFJUQBZ-GFCCVEGCSA-N 1 0 214.353 1.079 10 0 BDAERO CC(C)[NH2+]CCN1C[C@H](C)O[C@@H](C)C1 ZINC000037477245 167106262 /nfs/dbraw/zinc/10/62/62/167106262.db2.gz HDLRUPIMXHLSHU-QWRGUYRKSA-N 1 0 200.326 1.094 10 0 BDAERO CC(C)[NH2+]CCNC(=O)/C=C/c1ccccc1 ZINC000054264941 167107573 /nfs/dbraw/zinc/10/75/73/167107573.db2.gz CAWHNRHHUJSKHI-CMDGGOBGSA-N 1 0 232.327 1.814 10 0 BDAERO CC(C)[NH2+]CCN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000309654964 167107849 /nfs/dbraw/zinc/10/78/49/167107849.db2.gz YVAGZOWYYAXKNI-AAEUAGOBSA-N 1 0 226.364 1.484 10 0 BDAERO CC(C)[NH2+]CCn1nnc(-c2ccccc2)n1 ZINC000042409872 167109693 /nfs/dbraw/zinc/10/96/93/167109693.db2.gz PVVOMKWREKUMQK-UHFFFAOYSA-N 1 0 231.303 1.338 10 0 BDAERO CC(C)[NH2+]C[C@@H](C)N1CCCOCC1 ZINC000061935925 167110533 /nfs/dbraw/zinc/11/05/33/167110533.db2.gz SEGFTQNLFFKOCX-LLVKDONJSA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000054595398 167110708 /nfs/dbraw/zinc/11/07/08/167110708.db2.gz BCHBAUVIBVPERM-JTQLQIEISA-N 1 0 231.361 1.199 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)C1=COc2ccccc2O1 ZINC000028092935 167111728 /nfs/dbraw/zinc/11/17/28/167111728.db2.gz MVFCPJQIUSUSJO-SNVBAGLBSA-N 1 0 235.283 1.658 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCN(Cc2cnn(C)c2)C1 ZINC000053034442 167112921 /nfs/dbraw/zinc/11/29/21/167112921.db2.gz PLSDCXCCKAXUHG-LBPRGKRZSA-N 1 0 236.363 1.240 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN1Cc1cnn(C)c1 ZINC000053649165 167113372 /nfs/dbraw/zinc/11/33/72/167113372.db2.gz FDIDGRFJHCOJND-ZDUSSCGKSA-N 1 0 236.363 1.383 10 0 BDAERO CC(C)[NH2+]C[C@@]1(O)CCc2ccccc2C1 ZINC000055028879 167114145 /nfs/dbraw/zinc/11/41/45/167114145.db2.gz KCUVKBZMOUWMQW-CQSZACIVSA-N 1 0 219.328 1.904 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCN1C(F)(F)F ZINC000095088488 167114544 /nfs/dbraw/zinc/11/45/44/167114544.db2.gz YPKLURBNFWHMFN-MRVPVSSYSA-N 1 0 210.243 1.969 10 0 BDAERO CC(C)[NH2+]C[C@H](O)c1ccc2[nH]cnc2c1 ZINC000060024587 167114776 /nfs/dbraw/zinc/11/47/76/167114776.db2.gz AYYAZGVQQWKVRG-LBPRGKRZSA-N 1 0 219.288 1.594 10 0 BDAERO CC(C)[NH2+]C[C@]1(O)CCc2ccccc2C1 ZINC000055028877 167117438 /nfs/dbraw/zinc/11/74/38/167117438.db2.gz KCUVKBZMOUWMQW-AWEZNQCLSA-N 1 0 219.328 1.904 10 0 BDAERO CC(C)[NH2+]Cc1cccc(O[C@@H](C)C(N)=O)c1 ZINC000034816510 167119093 /nfs/dbraw/zinc/11/90/93/167119093.db2.gz JSKNOBIFCZPXLX-JTQLQIEISA-N 1 0 236.315 1.437 10 0 BDAERO CC(C)[NH2+]Cc1ccccc1N1CC[C@@H](O)C1 ZINC000061711245 167121017 /nfs/dbraw/zinc/12/10/17/167121017.db2.gz YJJZYBINIKZEFH-CYBMUJFWSA-N 1 0 234.343 1.756 10 0 BDAERO CC(C)[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000035760529 167141172 /nfs/dbraw/zinc/14/11/72/167141172.db2.gz FPVAAPDHRJERMZ-NSHDSACASA-N 1 0 239.340 1.903 10 0 BDAERO CC(C)OC(=O)NCc1ccc(C[NH3+])cc1F ZINC000103957451 167164539 /nfs/dbraw/zinc/16/45/39/167164539.db2.gz SUNJUXHCMQUFMG-UHFFFAOYSA-N 1 0 240.278 1.919 10 0 BDAERO CC(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1[NH3+] ZINC000104324292 167166229 /nfs/dbraw/zinc/16/62/29/167166229.db2.gz JMUXOOIUZGCXKL-VXGBXAGGSA-N 1 0 234.299 1.746 10 0 BDAERO CC(C)OCC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116314741 167235492 /nfs/dbraw/zinc/23/54/92/167235492.db2.gz CSZNTXZOFHGXSL-LBPRGKRZSA-N 1 0 237.347 1.634 10 0 BDAERO CC(C)OCCOc1ccc(C(N)=[NH2+])cc1 ZINC000019866245 167248381 /nfs/dbraw/zinc/24/83/81/167248381.db2.gz XOKKOVVFYCQSQV-UHFFFAOYSA-N 1 0 222.288 1.774 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@H]1CCO[C@H]1C ZINC000308682757 167258796 /nfs/dbraw/zinc/25/87/96/167258796.db2.gz YCYDJIROCIBUDD-VWYCJHECSA-N 1 0 201.310 1.567 10 0 BDAERO CC(C)Oc1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000061666013 167304474 /nfs/dbraw/zinc/30/44/74/167304474.db2.gz TWHWSDSHDODSKB-GFCCVEGCSA-N 1 0 248.326 1.566 10 0 BDAERO CC(C)S(=O)(=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095908531 167316419 /nfs/dbraw/zinc/31/64/19/167316419.db2.gz DTRGXBDMVQNFSY-ULKQDVFKSA-N 1 0 217.334 1.093 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236658077 167357035 /nfs/dbraw/zinc/35/70/35/167357035.db2.gz VIWJWJDSWWIEJC-NWDGAFQWSA-N 1 0 226.364 1.784 10 0 BDAERO CC(C)[C@@H](C)CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129273119 167360445 /nfs/dbraw/zinc/36/04/45/167360445.db2.gz ZIXJABYYEUZZDK-UWVGGRQHSA-N 1 0 212.337 1.250 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)[C@H]([NH3+])C(C)(C)C ZINC000077558828 167366090 /nfs/dbraw/zinc/36/60/90/167366090.db2.gz LOOFREAHJPMXQL-ZJUUUORDSA-N 1 0 214.353 1.863 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2O)o1 ZINC000397951705 410938980 /nfs/dbraw/zinc/93/89/80/410938980.db2.gz POBGLUVDXLUCTK-WDEREUQCSA-N 1 0 210.277 1.376 10 0 BDAERO C[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1csnn1 ZINC000398270462 410954798 /nfs/dbraw/zinc/95/47/98/410954798.db2.gz AVUZYEOEFNMFLG-BDAKNGLRSA-N 1 0 226.349 1.283 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC000309504609 410954840 /nfs/dbraw/zinc/95/48/40/410954840.db2.gz MQCNZTYMDHTIQV-NXEZZACHSA-N 1 0 212.337 1.537 10 0 BDAERO CN(C[C@H]1CCCO1)C(=O)C1CCC([NH3+])CC1 ZINC000042465818 411005840 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411245213 /nfs/dbraw/zinc/24/52/13/411245213.db2.gz VDXFAJUPNJKYGX-BPCQOVAHSA-N 1 0 239.359 1.696 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658033988 411209397 /nfs/dbraw/zinc/20/93/97/411209397.db2.gz FMJQUHCPUTZBFS-VXGBXAGGSA-N 1 0 224.348 1.382 10 0 BDAERO C[C@H]1C[N@H+](C)C[C@@]1(O)c1cccc(F)c1 ZINC000521401058 411211709 /nfs/dbraw/zinc/21/17/09/411211709.db2.gz FNEGSUOCMQHZAV-CABZTGNLSA-N 1 0 209.264 1.595 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)[C@H](C)CO1 ZINC000309720226 411218790 /nfs/dbraw/zinc/21/87/90/411218790.db2.gz BOHSOADOUBBOTJ-FDYHWXHSSA-N 1 0 227.348 1.647 10 0 BDAERO CC(C)[C@@H](C)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000129093969 411223424 /nfs/dbraw/zinc/22/34/24/411223424.db2.gz YZWGITFLVUDVOS-QWRGUYRKSA-N 1 0 214.353 1.768 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nccn3C2)[C@@H]1C ZINC000381043877 411284279 /nfs/dbraw/zinc/28/42/79/411284279.db2.gz CUGJXNQVHOKRKW-WYUUTHIRSA-N 1 0 219.332 1.832 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)C(C)C ZINC000128890237 411295278 /nfs/dbraw/zinc/29/52/78/411295278.db2.gz ABMQBXISQYKMPN-NXEZZACHSA-N 1 0 200.326 1.521 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@@H]12 ZINC000659305677 411299851 /nfs/dbraw/zinc/29/98/51/411299851.db2.gz JXRSTLLLSIPTEJ-LSUSWQKBSA-N 1 0 234.343 1.228 10 0 BDAERO [NH3+]C1(c2noc([C@@H]3C[C@H]4C[C@H]4C3)n2)CCC1 ZINC000656561030 411301094 /nfs/dbraw/zinc/30/10/94/411301094.db2.gz OSBIGMVOPNYAMQ-AYMMMOKOSA-N 1 0 219.288 1.921 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2O)o1 ZINC000311824715 411306398 /nfs/dbraw/zinc/30/63/98/411306398.db2.gz ZXHYOYUMBXXIJT-WDEREUQCSA-N 1 0 224.304 1.685 10 0 BDAERO CC(C)c1cc(N(C)CC(C)(C)[NH3+])ncn1 ZINC000656608424 411307233 /nfs/dbraw/zinc/30/72/33/411307233.db2.gz DKMHZGCKHITJIG-UHFFFAOYSA-N 1 0 222.336 1.774 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ccc2nccnc2n1 ZINC000656608756 411307734 /nfs/dbraw/zinc/30/77/34/411307734.db2.gz IAGIHQDIBORYIX-UHFFFAOYSA-N 1 0 231.303 1.198 10 0 BDAERO CCOc1cncc(NCC2([NH3+])CCCC2)n1 ZINC000656610413 411308820 /nfs/dbraw/zinc/30/88/20/411308820.db2.gz DTVNILCKUIECIS-UHFFFAOYSA-N 1 0 236.319 1.559 10 0 BDAERO Cc1cnc(NCC2([NH3+])CCCC2)nc1 ZINC000656610376 411308858 /nfs/dbraw/zinc/30/88/58/411308858.db2.gz BNCCEBFKNCOSJN-UHFFFAOYSA-N 1 0 206.293 1.468 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@H]1CC1(C)C ZINC000658242702 411309113 /nfs/dbraw/zinc/30/91/13/411309113.db2.gz SUPHBDDXEAPCQW-UTUOFQBUSA-N 1 0 238.375 1.879 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1ccncc1Cl ZINC000656611633 411309975 /nfs/dbraw/zinc/30/99/75/411309975.db2.gz DMJKUDNRYAXHGS-UHFFFAOYSA-N 1 0 223.707 1.663 10 0 BDAERO CN1C[C@@H](C[NH2+][C@@H]2CCCSCC2)CC1=O ZINC000658243276 411310089 /nfs/dbraw/zinc/31/00/89/411310089.db2.gz ZLVPCHZYLDVIRA-GHMZBOCLSA-N 1 0 242.388 1.340 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccco1 ZINC000658245261 411310659 /nfs/dbraw/zinc/31/06/59/411310659.db2.gz QUAICJBUWKBWEW-UWVGGRQHSA-N 1 0 222.288 1.409 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000070578178 411317425 /nfs/dbraw/zinc/31/74/25/411317425.db2.gz VXLFHJVVNQDHMR-QWRGUYRKSA-N 1 0 236.315 1.722 10 0 BDAERO OC[C@@H]1CCC[NH+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000309807709 411252767 /nfs/dbraw/zinc/25/27/67/411252767.db2.gz YBTWNPOBWUIYLQ-JHJVBQTASA-N 1 0 227.348 1.242 10 0 BDAERO CC1(C)CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000054290947 167946638 /nfs/dbraw/zinc/94/66/38/167946638.db2.gz KBEBGXNMUGVXCN-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000128870868 411260108 /nfs/dbraw/zinc/26/01/08/411260108.db2.gz XYRILHQCBIXQSP-UTUOFQBUSA-N 1 0 226.364 1.864 10 0 BDAERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ncnc2c1CCCC2 ZINC000216172737 411349594 /nfs/dbraw/zinc/34/95/94/411349594.db2.gz CXNWQGZWQRMDDA-MNOVXSKESA-N 1 0 246.358 1.529 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)C12CCC2 ZINC000658355945 411353482 /nfs/dbraw/zinc/35/34/82/411353482.db2.gz KWBYPKPZHLHAEI-IFWUJCSASA-N 1 0 239.359 1.695 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](CC)OC[C@@H]1C ZINC000403965941 411370050 /nfs/dbraw/zinc/37/00/50/411370050.db2.gz SVOCXBRBFUMXDR-AXFHLTTASA-N 1 0 228.336 1.140 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661968490 411336473 /nfs/dbraw/zinc/33/64/73/411336473.db2.gz YAQRKUHVEVXEFY-RWMBFGLXSA-N 1 0 227.348 1.506 10 0 BDAERO [NH3+]C1CCC(C(=O)NCCC(F)(F)F)CC1 ZINC000063100954 411340558 /nfs/dbraw/zinc/34/05/58/411340558.db2.gz WHTLEYMSYRVHEL-UHFFFAOYSA-N 1 0 238.253 1.573 10 0 BDAERO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CC[NH3+])C2 ZINC000037016242 168003683 /nfs/dbraw/zinc/00/36/83/168003683.db2.gz KNEUKERFYRGWLU-BREBYQMCSA-N 1 0 224.348 1.666 10 0 BDAERO CC1(C[C@H]([NH3+])c2cccnc2)OCCO1 ZINC000041217373 168050896 /nfs/dbraw/zinc/05/08/96/168050896.db2.gz VGKJWRQNDNZMCK-JTQLQIEISA-N 1 0 208.261 1.235 10 0 BDAERO CC1([NH2+]CC(=O)N2CCCC2)CCCCC1 ZINC000045045842 168063180 /nfs/dbraw/zinc/06/31/80/168063180.db2.gz BREQJPXFECMWEO-UHFFFAOYSA-N 1 0 224.348 1.921 10 0 BDAERO C[C@]1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1(F)F ZINC000659361704 411377218 /nfs/dbraw/zinc/37/72/18/411377218.db2.gz MJFPOXROXDYXDZ-QXFUBDJGSA-N 1 0 232.274 1.275 10 0 BDAERO CC1=CC[C@H]([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000309133643 168121618 /nfs/dbraw/zinc/12/16/18/168121618.db2.gz RNXSDZJUVXTFAJ-WDEREUQCSA-N 1 0 208.305 1.353 10 0 BDAERO CC1CC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000335594265 168144355 /nfs/dbraw/zinc/14/43/55/168144355.db2.gz XGVKHGKCMYLYTO-QONHTCSSSA-N 1 0 210.321 1.289 10 0 BDAERO CC1CCC(C[NH2+]C[C@]2(O)CCOC2)CC1 ZINC000127353664 168156057 /nfs/dbraw/zinc/15/60/57/168156057.db2.gz FVVMCYLZVGQNHT-WXRRBKDZSA-N 1 0 227.348 1.554 10 0 BDAERO CC1CCC(CO)([NH2+][C@H]2CCC[C@H]2O)CC1 ZINC000053118547 168156521 /nfs/dbraw/zinc/15/65/21/168156521.db2.gz JWHCBFDINJYDSV-CMOBGSAGSA-N 1 0 227.348 1.431 10 0 BDAERO O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000659359398 411375443 /nfs/dbraw/zinc/37/54/43/411375443.db2.gz RBCWWZHHTXTDPJ-KXNHARMFSA-N 1 0 222.332 1.148 10 0 BDAERO CC1CCC(N(C)[C@H]2COCC[C@@H]2[NH3+])CC1 ZINC000042487665 168159032 /nfs/dbraw/zinc/15/90/32/168159032.db2.gz TUONTXOLZJYWOC-TYUFSLCMSA-N 1 0 226.364 1.613 10 0 BDAERO CC1CCC([NH3+])(Cc2cnn(C)c2)CC1 ZINC000050541578 168160129 /nfs/dbraw/zinc/16/01/29/168160129.db2.gz CVZDEEOMKFSFKI-UHFFFAOYSA-N 1 0 207.321 1.870 10 0 BDAERO CC1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054290390 168172280 /nfs/dbraw/zinc/17/22/80/168172280.db2.gz ADGRGFGAQNSRNJ-GFCCVEGCSA-N 1 0 224.348 1.635 10 0 BDAERO CC1CCN(C(=O)[C@H]2[NH2+]CCC[C@H]2C)CC1 ZINC000051791878 168176735 /nfs/dbraw/zinc/17/67/35/168176735.db2.gz UFKNILTYTIDBOM-NEPJUHHUSA-N 1 0 224.348 1.633 10 0 BDAERO CC1CC[NH+](CCCC(N)=S)CC1 ZINC000019422204 168179230 /nfs/dbraw/zinc/17/92/30/168179230.db2.gz QIKHOQQSJIQEOO-UHFFFAOYSA-N 1 0 200.351 1.785 10 0 BDAERO C[C@]1(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1(F)F ZINC000659361051 411376626 /nfs/dbraw/zinc/37/66/26/411376626.db2.gz HVQVETKQFJMVFU-IQJOONFLSA-N 1 0 246.301 1.665 10 0 BDAERO COCC1(N(C)C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000659337268 411388017 /nfs/dbraw/zinc/38/80/17/411388017.db2.gz LGDDTLCZSIZWGY-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000659374359 411388383 /nfs/dbraw/zinc/38/83/83/411388383.db2.gz JLXGKWYJACZBLC-WRWGMCAJSA-N 1 0 240.347 1.140 10 0 BDAERO CCc1cccc(OCCn2cc(C[NH3+])nn2)c1 ZINC000052647852 411388521 /nfs/dbraw/zinc/38/85/21/411388521.db2.gz APUQPOFKSJFJFA-UHFFFAOYSA-N 1 0 246.314 1.378 10 0 BDAERO CCC(=O)CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000190221138 168199866 /nfs/dbraw/zinc/19/98/66/168199866.db2.gz DWXGBYROVZMGCO-UHFFFAOYSA-N 1 0 249.358 1.964 10 0 BDAERO CCC(=O)CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000190222095 168203550 /nfs/dbraw/zinc/20/35/50/168203550.db2.gz NSBKPWCKBCDPJR-NSHDSACASA-N 1 0 236.319 1.284 10 0 BDAERO CCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000309504246 168220183 /nfs/dbraw/zinc/22/01/83/168220183.db2.gz MOGLQYZQTVFWLC-WDEREUQCSA-N 1 0 210.321 1.387 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@H]1C[NH3+] ZINC000104315593 168295286 /nfs/dbraw/zinc/29/52/86/168295286.db2.gz DCDWDXVICAJKMO-WDEREUQCSA-N 1 0 241.379 1.103 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055086117 168295444 /nfs/dbraw/zinc/29/54/44/168295444.db2.gz XYALXMRKDIPWSO-VHSXEESVSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)CO1 ZINC000657303700 411457004 /nfs/dbraw/zinc/45/70/04/411457004.db2.gz FWAQCZMHZWWGDE-TUAOUCFPSA-N 1 0 213.321 1.713 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@H](C)[C@@H]2CCCO2)n1 ZINC000657310494 411459593 /nfs/dbraw/zinc/45/95/93/411459593.db2.gz YYQLDFZJDRVWIY-ZJUUUORDSA-N 1 0 209.293 1.375 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1 ZINC000126859425 411460306 /nfs/dbraw/zinc/46/03/06/411460306.db2.gz DBENCVYSUFTBSA-NSHDSACASA-N 1 0 206.289 1.999 10 0 BDAERO CCN(CC[NH3+])C(=O)N1CCCCCC1 ZINC000082642324 169838398 /nfs/dbraw/zinc/83/83/98/169838398.db2.gz LCBIHMGNQCURAF-UHFFFAOYSA-N 1 0 213.325 1.263 10 0 BDAERO CC[C@@H](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000659341692 411400082 /nfs/dbraw/zinc/40/00/82/411400082.db2.gz ZMMXXQQQORSODK-GMTAPVOTSA-N 1 0 212.337 1.394 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000659341693 411400289 /nfs/dbraw/zinc/40/02/89/411400289.db2.gz ZMMXXQQQORSODK-HBNTYKKESA-N 1 0 212.337 1.394 10 0 BDAERO Nc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cn1 ZINC000052763192 411404569 /nfs/dbraw/zinc/40/45/69/411404569.db2.gz VLNXLULVTMFMFU-LBPRGKRZSA-N 1 0 235.331 1.401 10 0 BDAERO CC[N@@H+]1CCCOC[C@H]1c1ccncc1 ZINC000616648267 411411413 /nfs/dbraw/zinc/41/14/13/411411413.db2.gz CXHTXVVEOYYMOK-LBPRGKRZSA-N 1 0 206.289 1.865 10 0 BDAERO c1ccc2c(c1)ccnc2[C@H]1C[NH2+]CCOC1 ZINC000616658602 411412292 /nfs/dbraw/zinc/41/22/92/411412292.db2.gz BENDGTVTTYWRHO-LBPRGKRZSA-N 1 0 228.295 1.938 10 0 BDAERO CC(=O)N1c2ccccc2NC[C@@H]1CC[NH3+] ZINC000616683845 411414975 /nfs/dbraw/zinc/41/49/75/411414975.db2.gz KAKYIYJYIKJJEC-JTQLQIEISA-N 1 0 219.288 1.182 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CC(F)F ZINC000122470166 411433458 /nfs/dbraw/zinc/43/34/58/411433458.db2.gz UXCUHXDYZZWPBJ-ZETCQYMHSA-N 1 0 208.252 1.083 10 0 BDAERO Cc1cc(C(C)C)nc(NC[C@H]2CC[NH2+]C2)n1 ZINC000122598127 411434405 /nfs/dbraw/zinc/43/44/05/411434405.db2.gz CEHWMRLIWOHHSD-NSHDSACASA-N 1 0 234.347 1.930 10 0 BDAERO CC[C@H]1CN(c2ncc(C)cn2)CC[C@@H]1[NH3+] ZINC000122923180 411436681 /nfs/dbraw/zinc/43/66/81/411436681.db2.gz UONYVHREWTZEMF-QWRGUYRKSA-N 1 0 220.320 1.349 10 0 BDAERO CC[C@@H]1CN(c2ccnc(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000122923816 411436860 /nfs/dbraw/zinc/43/68/60/411436860.db2.gz RSHYAHAEOHDNQR-MNOVXSKESA-N 1 0 249.362 1.106 10 0 BDAERO CC[C@H]1CN(c2cccc(C)n2)CC[C@@H]1[NH3+] ZINC000122968104 411437736 /nfs/dbraw/zinc/43/77/36/411437736.db2.gz YFGMBFXCVISTPZ-RYUDHWBXSA-N 1 0 219.332 1.954 10 0 BDAERO CCN(Cc1ccncc1)c1cc(C[NH3+])ccn1 ZINC000042515096 169927319 /nfs/dbraw/zinc/92/73/19/169927319.db2.gz CFVXZVORCHJYJR-UHFFFAOYSA-N 1 0 242.326 1.962 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2CO)n1C ZINC000657369901 411483554 /nfs/dbraw/zinc/48/35/54/411483554.db2.gz IPCYSOTURYEMKN-WCQYABFASA-N 1 0 237.347 1.369 10 0 BDAERO Cc1c[nH]c(C[NH2+]C[C@@H]2CCCC[C@@H]2O)n1 ZINC000657372775 411486414 /nfs/dbraw/zinc/48/64/14/411486414.db2.gz JYSXBBDDKVOHGE-QWRGUYRKSA-N 1 0 223.320 1.359 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307961364 411492145 /nfs/dbraw/zinc/49/21/45/411492145.db2.gz XGDGZJOAKOXXDL-HTQZYQBOSA-N 1 0 243.269 1.296 10 0 BDAERO CC(C)(C)CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000300906403 411492618 /nfs/dbraw/zinc/49/26/18/411492618.db2.gz RKOJWWRTXFPLAB-WDEREUQCSA-N 1 0 224.348 1.633 10 0 BDAERO CCOC[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000659982457 411518104 /nfs/dbraw/zinc/51/81/04/411518104.db2.gz NMWAVZVHEBFHJF-BFHYXJOUSA-N 1 0 241.375 1.896 10 0 BDAERO Cc1nc(C)c(CNC(=O)[C@H]([NH3+])CC(C)C)o1 ZINC000311768627 411522354 /nfs/dbraw/zinc/52/23/54/411522354.db2.gz GZKMLOVYKDKCTN-SNVBAGLBSA-N 1 0 239.319 1.281 10 0 BDAERO COCC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000655816636 411528054 /nfs/dbraw/zinc/52/80/54/411528054.db2.gz BMUJIJRHSJGFCU-QJPTWQEYSA-N 1 0 239.359 1.816 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2nccs2)C1 ZINC000037484452 170009824 /nfs/dbraw/zinc/00/98/24/170009824.db2.gz UVTONRRUMOBEJQ-VIFPVBQESA-N 1 0 211.334 1.897 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2ccc(Cl)nn2)C1 ZINC000037484442 170010222 /nfs/dbraw/zinc/01/02/22/170010222.db2.gz PLSQOKDOYANHJW-VIFPVBQESA-N 1 0 240.738 1.884 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000328286474 170012045 /nfs/dbraw/zinc/01/20/45/170012045.db2.gz SZSOZZLZYSUFOQ-GHMZBOCLSA-N 1 0 214.378 1.423 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000328215492 170012588 /nfs/dbraw/zinc/01/25/88/170012588.db2.gz WQDVFLYSFTWHIK-SNVBAGLBSA-N 1 0 225.361 1.635 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000336906244 170020444 /nfs/dbraw/zinc/02/04/44/170020444.db2.gz XTFQFDXCUMKFGA-JTQLQIEISA-N 1 0 225.361 1.635 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000328188896 170022306 /nfs/dbraw/zinc/02/23/06/170022306.db2.gz OXCYQFBMKKSDKF-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CC[N@@H+]1CC[C@H]2[C@@H](CCC[C@H]2C(=O)OC)C1 ZINC000100325792 170024543 /nfs/dbraw/zinc/02/45/43/170024543.db2.gz ULPTVDUQBTYMEY-SDDRHHMPSA-N 1 0 225.332 1.918 10 0 BDAERO CCN1CCc2nc(C[NH2+]C)sc2C1 ZINC000053294084 170025222 /nfs/dbraw/zinc/02/52/22/170025222.db2.gz YPPPSKRVASXTQP-UHFFFAOYSA-N 1 0 211.334 1.241 10 0 BDAERO CCN1CCc2nc([C@@H](C)[NH3+])sc2C1 ZINC000041059186 170025862 /nfs/dbraw/zinc/02/58/62/170025862.db2.gz CWROOVJLTOVRHP-SSDOTTSWSA-N 1 0 211.334 1.541 10 0 BDAERO CCN1C[C@H]([NH2+]C[C@@H](C)COC)[C@@H](C)C1 ZINC000309049427 170035173 /nfs/dbraw/zinc/03/51/73/170035173.db2.gz PZPHDFKJRYWDSI-WOPDTQHZSA-N 1 0 214.353 1.199 10 0 BDAERO Cc1sccc1C[NH2+][C@@H]1CCNC1=O ZINC000657522544 411540467 /nfs/dbraw/zinc/54/04/67/411540467.db2.gz HPQAQYHVHZKYJC-SECBINFHSA-N 1 0 210.302 1.035 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000309049425 170038276 /nfs/dbraw/zinc/03/82/76/170038276.db2.gz PZPHDFKJRYWDSI-SDDRHHMPSA-N 1 0 214.353 1.199 10 0 BDAERO CCNC(=O)CC[N@H+](CCO)C1CCCCC1 ZINC000051779589 170050157 /nfs/dbraw/zinc/05/01/57/170050157.db2.gz USXWWOABCSFTCQ-UHFFFAOYSA-N 1 0 242.363 1.140 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1cccs1 ZINC000076612216 170053620 /nfs/dbraw/zinc/05/36/20/170053620.db2.gz MNHUGPPNHGURBT-SECBINFHSA-N 1 0 226.345 1.707 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1ccc(C)cc1 ZINC000076616992 170054094 /nfs/dbraw/zinc/05/40/94/170054094.db2.gz HPKHUNPONAHZFL-CYBMUJFWSA-N 1 0 234.343 1.954 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCNC2=O)cs1 ZINC000657524590 411542409 /nfs/dbraw/zinc/54/24/09/411542409.db2.gz UIUPWBRUPVCFRX-SECBINFHSA-N 1 0 210.302 1.035 10 0 BDAERO CCNC(=O)CN(C)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000042906546 170055346 /nfs/dbraw/zinc/05/53/46/170055346.db2.gz OCYYQEOFAVZICI-CYBMUJFWSA-N 1 0 249.358 1.063 10 0 BDAERO CCNC(=O)C[NH2+]CCOc1cccc(C)c1 ZINC000049899780 170064627 /nfs/dbraw/zinc/06/46/27/170064627.db2.gz LOSXZRWCSAVSNH-UHFFFAOYSA-N 1 0 236.315 1.100 10 0 BDAERO CCNC(=O)C[C@H]([NH3+])c1ccc(OCC)cc1 ZINC000041270902 170070238 /nfs/dbraw/zinc/07/02/38/170070238.db2.gz HJMZVJQDNLZGER-LBPRGKRZSA-N 1 0 236.315 1.611 10 0 BDAERO CCNC(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000036949286 170071846 /nfs/dbraw/zinc/07/18/46/170071846.db2.gz TYVJBLKDPIUDOP-JTQLQIEISA-N 1 0 213.325 1.180 10 0 BDAERO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CC)C(C)C ZINC000042588929 170078338 /nfs/dbraw/zinc/07/83/38/170078338.db2.gz NGMSUUDERRZWBE-VHSXEESVSA-N 1 0 243.351 1.245 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+]Cc1cccn1CC ZINC000085608841 170087701 /nfs/dbraw/zinc/08/77/01/170087701.db2.gz YDDBKYQDKABRFT-SNVBAGLBSA-N 1 0 223.320 1.122 10 0 BDAERO CCNC(=O)[C@@H](C)Oc1ccccc1CC[NH3+] ZINC000037720562 170089682 /nfs/dbraw/zinc/08/96/82/170089682.db2.gz DOIDUMBGYQISII-SNVBAGLBSA-N 1 0 236.315 1.091 10 0 BDAERO C[N@@H+](Cc1cn[nH]c1)C[C@H]1CCC[C@H](O)C1 ZINC000660091288 411536550 /nfs/dbraw/zinc/53/65/50/411536550.db2.gz HKSNCEZNDOAKIY-JQWIXIFHSA-N 1 0 223.320 1.393 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177261 170095938 /nfs/dbraw/zinc/09/59/38/170095938.db2.gz UURFXYSZQNJMGP-FHUSYTEZSA-N 1 0 238.375 1.925 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309973933 170096133 /nfs/dbraw/zinc/09/61/33/170096133.db2.gz RIHIASWXSRDNPN-AXFHLTTASA-N 1 0 230.327 1.629 10 0 BDAERO CCNC(=O)c1cccc(OCCC[NH3+])c1 ZINC000020271560 170103730 /nfs/dbraw/zinc/10/37/30/170103730.db2.gz MMMDYERFENVVDL-UHFFFAOYSA-N 1 0 222.288 1.164 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(C)c1ccccn1 ZINC000061288215 170106648 /nfs/dbraw/zinc/10/66/48/170106648.db2.gz IDGFYXZPBLCBBV-UHFFFAOYSA-N 1 0 221.304 1.433 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCO[C@@H]2CCC[C@@H]21 ZINC000061299881 170107000 /nfs/dbraw/zinc/10/70/00/170107000.db2.gz SNCKHWCMTSHJEN-NWDGAFQWSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCOCC1(C)C ZINC000061299779 170107168 /nfs/dbraw/zinc/10/71/68/170107168.db2.gz NAOGPRYQPFURFK-UHFFFAOYSA-N 1 0 214.353 1.485 10 0 BDAERO CC[NH2+]C(C)(C)CN1C[C@@H](C)OC[C@@H]1C ZINC000061299684 170107666 /nfs/dbraw/zinc/10/76/66/170107666.db2.gz KLYNCLPARYSGMM-WDEREUQCSA-N 1 0 214.353 1.484 10 0 BDAERO CC[NH2+]C1CCN(c2cnn(CC)c2)CC1 ZINC000035781180 170109904 /nfs/dbraw/zinc/10/99/04/170109904.db2.gz OCGYVHJRMKAXTQ-UHFFFAOYSA-N 1 0 222.336 1.481 10 0 BDAERO CC[NH2+]CC(=O)c1ccc2c(c1)OCCO2 ZINC000041612669 170110914 /nfs/dbraw/zinc/11/09/14/170110914.db2.gz MVYINNMCQRZYNT-UHFFFAOYSA-N 1 0 221.256 1.250 10 0 BDAERO CC[NH2+]CCC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000061292634 170111762 /nfs/dbraw/zinc/11/17/62/170111762.db2.gz KFYWGMMAPIMLHP-UHFFFAOYSA-N 1 0 246.314 1.809 10 0 BDAERO CC[NH2+]CC1CCN(c2nccs2)CC1 ZINC000053664425 170111985 /nfs/dbraw/zinc/11/19/85/170111985.db2.gz ICWHCKJKFDYROD-UHFFFAOYSA-N 1 0 225.361 1.969 10 0 BDAERO CC[NH2+]CCCCn1c2ccccc2oc1=O ZINC000053522777 170112636 /nfs/dbraw/zinc/11/26/36/170112636.db2.gz XLLAAFRWPVCDIJ-UHFFFAOYSA-N 1 0 234.299 1.984 10 0 BDAERO CC[NH2+]CCc1c(OC)cc(OC)cc1OC ZINC000085696707 170117045 /nfs/dbraw/zinc/11/70/45/170117045.db2.gz HTGZWEMRVBBYRF-UHFFFAOYSA-N 1 0 239.315 1.864 10 0 BDAERO CC[NH2+]CCc1cc(OC)ccc1OC ZINC000055235044 170117493 /nfs/dbraw/zinc/11/74/93/170117493.db2.gz SYDJIZKGMYQBQK-UHFFFAOYSA-N 1 0 209.289 1.856 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000061265928 170118092 /nfs/dbraw/zinc/11/80/92/170118092.db2.gz LOQBPKOJGHQMNA-VXGBXAGGSA-N 1 0 249.358 1.847 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(CC)Cc1ccncc1 ZINC000061265859 170118125 /nfs/dbraw/zinc/11/81/25/170118125.db2.gz YBVZCSZGCXDDSW-GFCCVEGCSA-N 1 0 249.358 1.676 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(OC)c1 ZINC000061228171 170118746 /nfs/dbraw/zinc/11/87/46/170118746.db2.gz JHVCSKQRRWHZJK-SNVBAGLBSA-N 1 0 236.315 1.879 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)Cc1ccccc1 ZINC000062189119 170119573 /nfs/dbraw/zinc/11/95/73/170119573.db2.gz FWPGXWLTWVQPGN-OLZOCXBDSA-N 1 0 248.370 1.979 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc(OCC)cc1 ZINC000032012212 170120423 /nfs/dbraw/zinc/12/04/23/170120423.db2.gz DIIVBHRMIHUOSV-GFCCVEGCSA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1cc(F)ccc1F ZINC000055032784 170120773 /nfs/dbraw/zinc/12/07/73/170120773.db2.gz LBUSLMNIHHHFPP-LLVKDONJSA-N 1 0 215.243 1.782 10 0 BDAERO CC[NH2+]C[C@H](C(C)C)N(C)Cc1cnn(C)c1 ZINC000052570255 170120834 /nfs/dbraw/zinc/12/08/34/170120834.db2.gz AFVMPZXYIFVFJU-CYBMUJFWSA-N 1 0 238.379 1.486 10 0 BDAERO CC[NH2+]C[C@H](O)CN(Cc1ccco1)C1CC1 ZINC000042692945 170121615 /nfs/dbraw/zinc/12/16/15/170121615.db2.gz GTDHFYNAQPAWLI-LBPRGKRZSA-N 1 0 238.331 1.214 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000032014559 170121639 /nfs/dbraw/zinc/12/16/39/170121639.db2.gz QSCZCGCFNUCDDO-LBPRGKRZSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@H](CC)n1nnc(-c2ccccc2)n1 ZINC000052574743 170121827 /nfs/dbraw/zinc/12/18/27/170121827.db2.gz CSEOPOJOKGNEKU-LBPRGKRZSA-N 1 0 245.330 1.901 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccc(CC)cc1 ZINC000032014553 170121832 /nfs/dbraw/zinc/12/18/32/170121832.db2.gz NAEUWQAFMXGHDK-LBPRGKRZSA-N 1 0 223.316 1.598 10 0 BDAERO CC[NH2+]C[C@H](O)c1cc(CC)ccc1OC ZINC000071531132 170123093 /nfs/dbraw/zinc/12/30/93/170123093.db2.gz WKYTYBRYFTZOBK-LBPRGKRZSA-N 1 0 223.316 1.901 10 0 BDAERO CC[NH2+]Cc1c(C)cc(C)nc1-n1ccnc1 ZINC000051490091 170124321 /nfs/dbraw/zinc/12/43/21/170124321.db2.gz ZPEBXQDKHPLTJZ-UHFFFAOYSA-N 1 0 230.315 1.994 10 0 BDAERO CC[NH2+]Cc1cc(C)c(OCC(N)=O)c(C)c1 ZINC000034656840 170125442 /nfs/dbraw/zinc/12/54/42/170125442.db2.gz YCVQBKYCPBVSMP-UHFFFAOYSA-N 1 0 236.315 1.277 10 0 BDAERO CC[NH2+]Cc1ccc(-n2cc(C)cn2)nc1 ZINC000051492265 170126248 /nfs/dbraw/zinc/12/62/48/170126248.db2.gz WROCWTSQWLASTQ-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1cnc(-c2ncccn2)nc1 ZINC000054855619 170129594 /nfs/dbraw/zinc/12/95/94/170129594.db2.gz OMFHTDWUNRHIQE-UHFFFAOYSA-N 1 0 215.260 1.043 10 0 BDAERO CC[NH2+]Cc1csc(CCOC)n1 ZINC000042436693 170130120 /nfs/dbraw/zinc/13/01/20/170130120.db2.gz KSYBQSGVKBZGGS-UHFFFAOYSA-N 1 0 200.307 1.442 10 0 BDAERO CC[NH2+]Cc1cnn([C@@H]2CCC[C@H]2O)c1 ZINC000054599521 170130348 /nfs/dbraw/zinc/13/03/48/170130348.db2.gz JQZGKCGVCSAUAN-GHMZBOCLSA-N 1 0 209.293 1.079 10 0 BDAERO CC[NH2+]Cc1cnn(-c2cccc(F)c2)n1 ZINC000051174875 170130781 /nfs/dbraw/zinc/13/07/81/170130781.db2.gz OJJMIYQBMXJBFE-UHFFFAOYSA-N 1 0 220.251 1.516 10 0 BDAERO CC[NH2+]Cc1cnn(-c2ccc(F)cc2)n1 ZINC000051174739 170131009 /nfs/dbraw/zinc/13/10/09/170131009.db2.gz XBQZXVSYRVLLAM-UHFFFAOYSA-N 1 0 220.251 1.516 10 0 BDAERO CC[NH2+]Cc1sc(CN(C)C)nc1CC ZINC000082425491 170132511 /nfs/dbraw/zinc/13/25/11/170132511.db2.gz BOMRMXQONGQTSA-UHFFFAOYSA-N 1 0 227.377 1.877 10 0 BDAERO CC[NH2+]Cc1sc(N2CCOCC2)nc1C ZINC000045206748 170132912 /nfs/dbraw/zinc/13/29/12/170132912.db2.gz MWHZWPIDDOWHAT-UHFFFAOYSA-N 1 0 241.360 1.398 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000061270579 170139424 /nfs/dbraw/zinc/13/94/24/170139424.db2.gz WVVOOCOQKOAFCJ-VIFPVBQESA-N 1 0 246.314 1.890 10 0 BDAERO CC[NH2+][C@@H](C)Cc1nc(-c2cccc(C)n2)no1 ZINC000110473306 170140160 /nfs/dbraw/zinc/14/01/60/170140160.db2.gz LDCPJLKYOUZGBK-JTQLQIEISA-N 1 0 246.314 1.981 10 0 BDAERO CC[NH2+][C@@H](CC)Cc1nc(-c2cnccn2)no1 ZINC000104071681 170143803 /nfs/dbraw/zinc/14/38/03/170143803.db2.gz POOFKFUICKUQSX-VIFPVBQESA-N 1 0 247.302 1.457 10 0 BDAERO CCN[C@@H](CC[N@H+](CC(C)C)C(C)C)C(N)=O ZINC000062525285 170145221 /nfs/dbraw/zinc/14/52/21/170145221.db2.gz NZCGMOYOBGZZFC-LBPRGKRZSA-N 1 0 243.395 1.206 10 0 BDAERO CCN[C@@H](CC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000062435981 170145336 /nfs/dbraw/zinc/14/53/36/170145336.db2.gz AUUMVLOHCYVHQQ-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000035545881 170148694 /nfs/dbraw/zinc/14/86/94/170148694.db2.gz SVZAXTBLVOFMSD-GFCCVEGCSA-N 1 0 231.299 1.917 10 0 BDAERO CC[NH2+][C@@H]1CCN(CCc2cccc(C)c2)C1=O ZINC000051670335 170151519 /nfs/dbraw/zinc/15/15/19/170151519.db2.gz ZHRNEEQNNJHTMO-CQSZACIVSA-N 1 0 246.354 1.748 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cnn(C(C)C)c2)C1 ZINC000061683372 170152879 /nfs/dbraw/zinc/15/28/79/170152879.db2.gz JYSTUYJXXFIUHE-LLVKDONJSA-N 1 0 222.336 1.652 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cccc(OCC)c2)C1=O ZINC000049660411 170153162 /nfs/dbraw/zinc/15/31/62/170153162.db2.gz DVFZEXGPWSECHK-CYBMUJFWSA-N 1 0 248.326 1.800 10 0 BDAERO CC[NH2+][C@H](C)[C@@H](C)N1CCCOCC1 ZINC000061917903 170158217 /nfs/dbraw/zinc/15/82/17/170158217.db2.gz PXUDGYZWDVEPJE-GHMZBOCLSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+][C@H](C)[C@H](C)N1CCn2ccnc2C1 ZINC000062250460 170158291 /nfs/dbraw/zinc/15/82/91/170158291.db2.gz QPJMCYVOZGXOFE-MNOVXSKESA-N 1 0 222.336 1.085 10 0 BDAERO CC[NH2+][C@H]1CCC[C@@H]1CN1CCn2ccnc2C1 ZINC000062322312 170166371 /nfs/dbraw/zinc/16/63/71/170166371.db2.gz PXZLFBHJJARYDS-OLZOCXBDSA-N 1 0 248.374 1.477 10 0 BDAERO CC[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000049647776 170167042 /nfs/dbraw/zinc/16/70/42/170167042.db2.gz IOSMFWQMSZASOB-NSHDSACASA-N 1 0 210.321 1.530 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1N1CCOCC1(C)C ZINC000043916976 170167171 /nfs/dbraw/zinc/16/71/71/170167171.db2.gz JPTFANCYELUTEB-NWDGAFQWSA-N 1 0 226.364 1.628 10 0 BDAERO CC[NH2+][C@H]1CCN([C@H](C)c2ccco2)C1=O ZINC000049648196 170167509 /nfs/dbraw/zinc/16/75/09/170167509.db2.gz SWCDKAVHYMABAP-ZJUUUORDSA-N 1 0 222.288 1.551 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2nc(C)cs2)C1 ZINC000049533930 170167908 /nfs/dbraw/zinc/16/79/08/170167908.db2.gz MFLYLRRIFZMEST-JTQLQIEISA-N 1 0 225.361 1.635 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccccc2F)C1=O ZINC000049647668 170168071 /nfs/dbraw/zinc/16/80/71/170168071.db2.gz HFOVOUJXDJFDAW-JTQLQIEISA-N 1 0 222.263 1.541 10 0 BDAERO CC[NH2+][C@H]1CC[S@@](=O)c2c(F)cccc21 ZINC000040976231 170168598 /nfs/dbraw/zinc/16/85/98/170168598.db2.gz GPXDSWHYXPTLFR-BONVTDFDSA-N 1 0 227.304 1.988 10 0 BDAERO CC[NH2+][C@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976235 170168978 /nfs/dbraw/zinc/16/89/78/170168978.db2.gz GPXDSWHYXPTLFR-ZUZCIYMTSA-N 1 0 227.304 1.988 10 0 BDAERO CC[NH2+][C@H]1CC[S@](=O)c2ccc(F)cc21 ZINC000040974189 170169114 /nfs/dbraw/zinc/16/91/14/170169114.db2.gz PEEJRKCCHKMGME-ZUZCIYMTSA-N 1 0 227.304 1.988 10 0 BDAERO CC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C ZINC000043816039 170169312 /nfs/dbraw/zinc/16/93/12/170169312.db2.gz NXDFOHJJGBKOIR-OLZOCXBDSA-N 1 0 204.317 1.824 10 0 BDAERO CCOC(=O)C1(c2cccnc2)CC[NH2+]CC1 ZINC000091297107 170191245 /nfs/dbraw/zinc/19/12/45/170191245.db2.gz TVTNEVHQOGETRL-UHFFFAOYSA-N 1 0 234.299 1.266 10 0 BDAERO CCOC(=O)COc1ccc(Cl)cc1C[NH3+] ZINC000037701032 170228598 /nfs/dbraw/zinc/22/85/98/170228598.db2.gz AKWTZVFPNDKPOD-UHFFFAOYSA-N 1 0 243.690 1.741 10 0 BDAERO CCOC(=O)Cc1cc(C[NH3+])ccc1OC ZINC000016942323 170234927 /nfs/dbraw/zinc/23/49/27/170234927.db2.gz UJDURCDJIAQYIT-UHFFFAOYSA-N 1 0 223.272 1.260 10 0 BDAERO CCOC(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000019813335 170238298 /nfs/dbraw/zinc/23/82/98/170238298.db2.gz WYUSBJKMXZTOFK-UHFFFAOYSA-N 1 0 237.303 1.389 10 0 BDAERO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069725458 170239015 /nfs/dbraw/zinc/23/90/15/170239015.db2.gz GGPAWRCOUINSRY-RKDXNWHRSA-N 1 0 200.282 1.202 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1cccc(F)c1 ZINC000019421683 170242851 /nfs/dbraw/zinc/24/28/51/170242851.db2.gz BRHZYSVWTYASLS-JTQLQIEISA-N 1 0 226.251 1.572 10 0 BDAERO CCOC(=O)[C@@H](C[NH+](C)C)c1ccc(O)cc1 ZINC000077286497 170252000 /nfs/dbraw/zinc/25/20/00/170252000.db2.gz CETBJSBSTMXHOV-LBPRGKRZSA-N 1 0 237.299 1.601 10 0 in-vitro BDAERO CCOC(=O)[C@@H]([NH3+])CCn1cnc2ccccc21 ZINC000062535509 170252958 /nfs/dbraw/zinc/25/29/58/170252958.db2.gz FDIWSFOOWXGXJQ-JTQLQIEISA-N 1 0 247.298 1.317 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+][C@@H](c2ccccc2)C1 ZINC000095635257 170259752 /nfs/dbraw/zinc/25/97/52/170259752.db2.gz PBHVLJGBLGLONL-NWDGAFQWSA-N 1 0 219.284 1.900 10 0 BDAERO CCOC(=O)[C@@](C)(N)CC[N@@H+]1CCCC1(C)C ZINC000063072819 170260257 /nfs/dbraw/zinc/26/02/57/170260257.db2.gz HQMOWTYNFNVOKZ-ZDUSSCGKSA-N 1 0 242.363 1.531 10 0 BDAERO CCOC(=O)[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000043637571 170267482 /nfs/dbraw/zinc/26/74/82/170267482.db2.gz SJHCYNDZGYPHMM-JTQLQIEISA-N 1 0 230.352 1.115 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])Cc1ccc(O)c(F)c1 ZINC000076160687 170273212 /nfs/dbraw/zinc/27/32/12/170273212.db2.gz WAOJBHALRMTFIX-VIFPVBQESA-N 1 0 241.262 1.212 10 0 BDAERO CCOCCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000053733722 170358751 /nfs/dbraw/zinc/35/87/51/170358751.db2.gz HJGCHEJMLIJSCI-RYUDHWBXSA-N 1 0 240.347 1.156 10 0 BDAERO CCOCCCC[NH2+]CCN1CCO[C@@H](C)C1 ZINC000053343945 170369621 /nfs/dbraw/zinc/36/96/21/170369621.db2.gz LOXHGMFTNHBWTK-ZDUSSCGKSA-N 1 0 244.379 1.113 10 0 BDAERO CCOCCN(CC)C(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000104195609 170393840 /nfs/dbraw/zinc/39/38/40/170393840.db2.gz MPZKBGIWSABZDT-VXGBXAGGSA-N 1 0 242.363 1.402 10 0 BDAERO CCOCCNC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055145068 170410013 /nfs/dbraw/zinc/41/00/13/170410013.db2.gz RGZXAYBCTBUGPE-RYUDHWBXSA-N 1 0 242.363 1.294 10 0 BDAERO Cc1ccoc1C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696391 411581078 /nfs/dbraw/zinc/58/10/78/411581078.db2.gz JGAIJWSFRQDVHT-JTQLQIEISA-N 1 0 222.288 1.156 10 0 BDAERO CCC[C@@H](C)C[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657694564 411581080 /nfs/dbraw/zinc/58/10/80/411581080.db2.gz GADGCUFGLAGACE-MNOVXSKESA-N 1 0 212.337 1.491 10 0 BDAERO CN1C[C@@H](C[NH2+]Cc2ccccc2)CC1=O ZINC000657695073 411581085 /nfs/dbraw/zinc/58/10/85/411581085.db2.gz UNABWQYXSQUNIZ-GFCCVEGCSA-N 1 0 218.300 1.255 10 0 BDAERO Cc1sccc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696262 411581273 /nfs/dbraw/zinc/58/12/73/411581273.db2.gz TYZFOGFLXMLTJG-SNVBAGLBSA-N 1 0 238.356 1.624 10 0 BDAERO COC1(C[NH2+]C[C@H]2CC(=O)N(C)C2)CCCC1 ZINC000657697075 411581773 /nfs/dbraw/zinc/58/17/73/411581773.db2.gz ZKELGBSXOPGCMI-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@H](C[NH2+][C@H]1CCC(=O)N[C@H]1C)CC(F)F ZINC000660475586 411590298 /nfs/dbraw/zinc/59/02/98/411590298.db2.gz CBYHBRMIRQAJGG-GUBZILKMSA-N 1 0 248.317 1.925 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1CC=CC1 ZINC000660476832 411590591 /nfs/dbraw/zinc/59/05/91/411590591.db2.gz HLPVBJWABXMVMZ-ONGXEEELSA-N 1 0 208.305 1.209 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCC2CCC2)C1 ZINC000660508278 411595203 /nfs/dbraw/zinc/59/52/03/411595203.db2.gz PDKHADOOSANWKK-STQMWFEESA-N 1 0 227.348 1.648 10 0 BDAERO COc1ccccc1C[NH2+]C1CC(CO)C1 ZINC000657808380 411600869 /nfs/dbraw/zinc/60/08/69/411600869.db2.gz HIJCBGCEBKGZSH-UHFFFAOYSA-N 1 0 221.300 1.556 10 0 BDAERO Cc1cnccc1C[NH2+]C1CC(CO)C1 ZINC000657810574 411601014 /nfs/dbraw/zinc/60/10/14/411601014.db2.gz HMYPXIIHFDHAGG-UHFFFAOYSA-N 1 0 206.289 1.251 10 0 BDAERO Cc1ncsc1C[NH2+]C1CC(CO)C1 ZINC000657813498 411603503 /nfs/dbraw/zinc/60/35/03/411603503.db2.gz ZKWMGNQUHJRGPT-UHFFFAOYSA-N 1 0 212.318 1.312 10 0 BDAERO CCCn1cc(C[NH2+]C2CC(CO)C2)cn1 ZINC000657813342 411603658 /nfs/dbraw/zinc/60/36/58/411603658.db2.gz UAYMVPQVZNALRS-UHFFFAOYSA-N 1 0 223.320 1.154 10 0 BDAERO CCn1nc(C)c(C[NH2+]C2CC(CO)C2)c1C ZINC000657812746 411604345 /nfs/dbraw/zinc/60/43/45/411604345.db2.gz MYNPRQDFDLFDPX-UHFFFAOYSA-N 1 0 237.347 1.380 10 0 BDAERO CCOc1cccc(OC(=O)CC[NH3+])c1 ZINC000049814494 170582507 /nfs/dbraw/zinc/58/25/07/170582507.db2.gz MSNXJOXIFHIPGO-UHFFFAOYSA-N 1 0 209.245 1.340 10 0 BDAERO CCS(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000158993553 170623667 /nfs/dbraw/zinc/62/36/67/170623667.db2.gz ZLWTVKLWMYSFTL-UHFFFAOYSA-N 1 0 217.265 1.078 10 0 BDAERO CC[C@@H](C)[N@H+](C)[C@]1(CN)CCSC1 ZINC000037109826 170725713 /nfs/dbraw/zinc/72/57/13/170725713.db2.gz BTEILTHWXUKIGS-ZJUUUORDSA-N 1 0 202.367 1.551 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2ccnc(N(C)C)n2)C[NH2+]1 ZINC000630533810 411838522 /nfs/dbraw/zinc/83/85/22/411838522.db2.gz RRDLMAVVMCSHLW-NXEZZACHSA-N 1 0 235.335 1.095 10 0 BDAERO OC1(C[N@@H+]2CCC[C@H](CCF)C2)CCC1 ZINC000661690215 411839562 /nfs/dbraw/zinc/83/95/62/411839562.db2.gz ONQJWZCOMVVKBU-LLVKDONJSA-N 1 0 215.312 1.973 10 0 BDAERO CC[C@@H](C)NC(=O)[C@H](CC[NH3+])c1ccco1 ZINC000076611715 170746823 /nfs/dbraw/zinc/74/68/23/170746823.db2.gz VJQGKXVBCWRUKI-NXEZZACHSA-N 1 0 224.304 1.627 10 0 BDAERO CC[C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)c1ccncc1 ZINC000037823977 170750681 /nfs/dbraw/zinc/75/06/81/170750681.db2.gz HKZXIVJKAKADOT-VXGBXAGGSA-N 1 0 249.358 1.989 10 0 BDAERO CC[N@@H+]1CCC[C@@H](n2ccc(N)n2)CC1 ZINC000616612811 411856694 /nfs/dbraw/zinc/85/66/94/411856694.db2.gz ZXEJBBTXLKCEMM-SNVBAGLBSA-N 1 0 208.309 1.512 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@@H](n2ccc(N)n2)C1 ZINC000616653653 411862761 /nfs/dbraw/zinc/86/27/61/411862761.db2.gz SDZHUSBSYHYOHI-LLVKDONJSA-N 1 0 238.335 1.485 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000225545440 487620857 /nfs/dbraw/zinc/62/08/57/487620857.db2.gz GIFNHWBKGYAPFM-BFHYXJOUSA-N 1 0 246.354 1.861 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000225544111 487621000 /nfs/dbraw/zinc/62/10/00/487621000.db2.gz VMZPVWQYBIJRKQ-RUJICJSRSA-N 1 0 224.348 1.809 10 0 BDAERO CC[C@@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392422 170871156 /nfs/dbraw/zinc/87/11/56/170871156.db2.gz QUDSGEGRNRAZQI-SECBINFHSA-N 1 0 219.288 1.287 10 0 BDAERO Nc1n[nH]cc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000616675482 411985474 /nfs/dbraw/zinc/98/54/74/411985474.db2.gz FTHOTOBYKZEVME-LLVKDONJSA-N 1 0 214.272 1.227 10 0 BDAERO Nc1n[nH]cc1[C@H]1[NH2+]CCc2ccccc21 ZINC000616679611 411987832 /nfs/dbraw/zinc/98/78/32/411987832.db2.gz FTHOTOBYKZEVME-NSHDSACASA-N 1 0 214.272 1.227 10 0 BDAERO c1ccc2c(c1)ncnc2NC[C@@H]1CC[NH2+]C1 ZINC000133777669 411946654 /nfs/dbraw/zinc/94/66/54/411946654.db2.gz PYNHEDVNDLMOFT-SNVBAGLBSA-N 1 0 228.299 1.651 10 0 BDAERO CC[C@@H]1CCN(Cc2cccnc2)CC[NH2+]1 ZINC000049662125 171011026 /nfs/dbraw/zinc/01/10/26/171011026.db2.gz SJVVNLCIDUHANG-CYBMUJFWSA-N 1 0 219.332 1.656 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309720108 171061021 /nfs/dbraw/zinc/06/10/21/171061021.db2.gz VRTBAJMOPNRWSQ-GMTAPVOTSA-N 1 0 224.348 1.822 10 0 BDAERO CC[C@@H]1CN(CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000042172071 171083416 /nfs/dbraw/zinc/08/34/16/171083416.db2.gz ZNCHJKNXIICGLU-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1Cc1ccncc1 ZINC000082476509 171101298 /nfs/dbraw/zinc/10/12/98/171101298.db2.gz FISALOFZNTYTCN-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO CC[C@@H]1COCCN1c1ncc(C[NH3+])s1 ZINC000054896004 171108126 /nfs/dbraw/zinc/10/81/26/171108126.db2.gz TXTQKSCKAUJVAY-MRVPVSSYSA-N 1 0 227.333 1.217 10 0 BDAERO CC[C@@H]1COCCN1c1ncc(C[NH2+]C)s1 ZINC000054904652 171108418 /nfs/dbraw/zinc/10/84/18/171108418.db2.gz KBZHCFITDVFQKG-SECBINFHSA-N 1 0 241.360 1.478 10 0 BDAERO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCO[C@H]2C)CCO1 ZINC000309432043 171130709 /nfs/dbraw/zinc/13/07/09/171130709.db2.gz ABZCBMFPFOEOAU-UMSGYPCISA-N 1 0 227.348 1.959 10 0 BDAERO CC[C@@H]1c2nc[nH]c2CCN1C(=O)OC ZINC000045806174 171161880 /nfs/dbraw/zinc/16/18/80/171161880.db2.gz FNGIFNBDIURBMI-MRVPVSSYSA-N 1 0 209.249 1.485 10 0 BDAERO CC[C@@](C)([NH3+])c1nc(C)c(C(C)C)c(=O)[nH]1 ZINC000070948708 171172880 /nfs/dbraw/zinc/17/28/80/171172880.db2.gz BFIDUDSRNLSLDU-GFCCVEGCSA-N 1 0 223.320 1.786 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCOC(C)(C)C1 ZINC000119405593 171177870 /nfs/dbraw/zinc/17/78/70/171177870.db2.gz KFXYXISEFPOSHL-LLVKDONJSA-N 1 0 201.310 1.258 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339817189 171178256 /nfs/dbraw/zinc/17/82/56/171178256.db2.gz GIHLPTOMIDWEEE-CHWSQXEVSA-N 1 0 229.364 1.894 10 0 BDAERO CC[C@@]1(C)C[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000131807376 171205846 /nfs/dbraw/zinc/20/58/46/171205846.db2.gz ZIRMARLZNUOSPH-KMFOADKKSA-N 1 0 224.348 1.809 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000120583564 171281866 /nfs/dbraw/zinc/28/18/66/171281866.db2.gz MTPFMVRNWPJHCC-STQMWFEESA-N 1 0 237.347 1.630 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042591061 171315150 /nfs/dbraw/zinc/31/51/50/171315150.db2.gz HLMWTICOTXOIIH-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CC[C@H](C)N(CCOC)C[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000042593212 171316072 /nfs/dbraw/zinc/31/60/72/171316072.db2.gz KOAUFVBEHSMSBX-AVGNSLFASA-N 1 0 244.379 1.110 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000038014144 171322763 /nfs/dbraw/zinc/32/27/63/171322763.db2.gz FWWXAWLYWBGCFJ-QNWHQSFQSA-N 1 0 236.359 1.845 10 0 BDAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1ccncc1 ZINC000076618168 171327677 /nfs/dbraw/zinc/32/76/77/171327677.db2.gz YTQUUCIOOKKQCA-JQWIXIFHSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](CC[NH3+])c1cccnc1 ZINC000076618049 171333167 /nfs/dbraw/zinc/33/31/67/171333167.db2.gz ZSRRIVDGRCSWAX-JQWIXIFHSA-N 1 0 235.331 1.429 10 0 BDAERO C(CC1CCC1)C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000662285309 412078601 /nfs/dbraw/zinc/07/86/01/412078601.db2.gz JIJVGNNPGRNEKN-ZIAGYGMSSA-N 1 0 238.375 1.629 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N(CCOC)CC(C)C ZINC000037809123 171339037 /nfs/dbraw/zinc/33/90/37/171339037.db2.gz OCUMAQNMENAZHP-LBPRGKRZSA-N 1 0 244.379 1.506 10 0 BDAERO CC[C@H](C)NC1(C(=O)OC)CC[NH+](CC)CC1 ZINC000038067081 171339499 /nfs/dbraw/zinc/33/94/99/171339499.db2.gz RRJZKFNHORHYGT-NSHDSACASA-N 1 0 242.363 1.402 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N(CCOC)[C@@H](C)CC ZINC000042591438 171339717 /nfs/dbraw/zinc/33/97/17/171339717.db2.gz YKLKOLZIRRFXLV-RYUDHWBXSA-N 1 0 244.379 1.648 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCCSCC1 ZINC000042444758 171339733 /nfs/dbraw/zinc/33/97/33/171339733.db2.gz IWSYHTXBUBFUDX-JTQLQIEISA-N 1 0 230.377 1.340 10 0 BDAERO CC[C@H](C)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000019255321 171344762 /nfs/dbraw/zinc/34/47/62/171344762.db2.gz WJKLVLCNCSGZIT-VIFPVBQESA-N 1 0 242.344 1.222 10 0 BDAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1cccc(OC)c1 ZINC000038065277 171344958 /nfs/dbraw/zinc/34/49/58/171344958.db2.gz XFYDFJGUUGUZBL-JOYOIKCWSA-N 1 0 236.315 1.610 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC1(C)CCCC1 ZINC000042187917 171394803 /nfs/dbraw/zinc/39/48/03/171394803.db2.gz WLUHHTRZZKXBNY-UWVGGRQHSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1nnc2cc(C)ncn21 ZINC000050194550 171397968 /nfs/dbraw/zinc/39/79/68/171397968.db2.gz JMJPKMJGQVSDDK-XVKPBYJWSA-N 1 0 219.292 1.479 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1nnc2ncccn21 ZINC000036827937 171398061 /nfs/dbraw/zinc/39/80/61/171398061.db2.gz XXCKYYQGNXIXAA-YUMQZZPRSA-N 1 0 205.265 1.170 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)C1CCCC1 ZINC000662459866 412183080 /nfs/dbraw/zinc/18/30/80/412183080.db2.gz MTFKBAVDPHMXOI-KOLCDFICSA-N 1 0 212.337 1.679 10 0 BDAERO CC[C@H]([NH3+])CN1C(=O)c2ccccc2C1=O ZINC000050180263 171484247 /nfs/dbraw/zinc/48/42/47/171484247.db2.gz CSLHPAUTGWNVMU-QMMMGPOBSA-N 1 0 218.256 1.020 10 0 BDAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000662400880 412149118 /nfs/dbraw/zinc/14/91/18/412149118.db2.gz GBNUYKGUIYIIIW-ICQAVMKVSA-N 1 0 248.370 1.822 10 0 BDAERO COc1cccc(C(=O)N2CCC[C@@H]2C[NH3+])c1C ZINC000662426421 412165529 /nfs/dbraw/zinc/16/55/29/412165529.db2.gz YNGHOUWYDSRALP-LLVKDONJSA-N 1 0 248.326 1.567 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCCC(C)(C)F ZINC000662662329 412262444 /nfs/dbraw/zinc/26/24/44/412262444.db2.gz CMFLFUHRBRZKRI-QMMMGPOBSA-N 1 0 204.289 1.368 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@]1(C)CC1(C)C ZINC000662706300 412277397 /nfs/dbraw/zinc/27/73/97/412277397.db2.gz BQWGBXHMAOVOCZ-BXKDBHETSA-N 1 0 212.337 1.665 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)c1ccccn1 ZINC000662606007 412237157 /nfs/dbraw/zinc/23/71/57/412237157.db2.gz OMZPNUISABRGFJ-NWDGAFQWSA-N 1 0 249.358 1.675 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)c1ccccn1 ZINC000662605413 412237546 /nfs/dbraw/zinc/23/75/46/412237546.db2.gz KVNLXOPLBRYWFF-DMDPSCGWSA-N 1 0 249.358 1.675 10 0 BDAERO COc1cccc(CN[C@@H]2CC[NH2+]C2)c1C ZINC000665293781 412239039 /nfs/dbraw/zinc/23/90/39/412239039.db2.gz CLZYGRVUSPWDIO-GFCCVEGCSA-N 1 0 220.316 1.455 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1cscn1 ZINC000662634019 412250158 /nfs/dbraw/zinc/25/01/58/412250158.db2.gz CNGHDOVCDIOLKV-SFYZADRCSA-N 1 0 227.333 1.448 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)c1cscn1 ZINC000662637732 412252616 /nfs/dbraw/zinc/25/26/16/412252616.db2.gz XIKGNWDFZPDMIR-QXFUBDJGSA-N 1 0 241.360 1.694 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC1CC2(CCC2)C1 ZINC000662905840 412341169 /nfs/dbraw/zinc/34/11/69/412341169.db2.gz GLRFIQAUDOIWPC-LLVKDONJSA-N 1 0 224.348 1.809 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NC1CC2(CCC2)C1 ZINC000662905749 412341232 /nfs/dbraw/zinc/34/12/32/412341232.db2.gz DVQAYKCRIACVCZ-LLVKDONJSA-N 1 0 236.359 1.968 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662908154 412342278 /nfs/dbraw/zinc/34/22/78/412342278.db2.gz ZSCCUUQOIWJGSU-GXSJLCMTSA-N 1 0 224.348 1.809 10 0 BDAERO CC(NC(=O)[C@@H]1CC[C@H]([NH3+])C1)(C1CC1)C1CC1 ZINC000662915069 412344359 /nfs/dbraw/zinc/34/43/59/412344359.db2.gz ITVHJXIRIMZRAN-SKDRFNHKSA-N 1 0 236.359 1.809 10 0 BDAERO CC[C@](O)(C[NH3+])c1ccc(OC)cc1OC ZINC000036161684 171710609 /nfs/dbraw/zinc/71/06/09/171710609.db2.gz ZIEXHHCQTLTRHS-LBPRGKRZSA-N 1 0 225.288 1.260 10 0 BDAERO CN(C(=O)CC(C)(C)C)[C@@H](C[NH3+])C(F)(F)F ZINC000662975512 412353892 /nfs/dbraw/zinc/35/38/92/412353892.db2.gz IOSGCDBKLCIWLN-ZETCQYMHSA-N 1 0 240.269 1.771 10 0 BDAERO CCCOc1nccnc1NC[C@H](C)[NH3+] ZINC000630514395 412357121 /nfs/dbraw/zinc/35/71/21/412357121.db2.gz YGZRXAZDOMLCGM-QMMMGPOBSA-N 1 0 210.281 1.025 10 0 BDAERO CCCOc1nccnc1NC[C@@H](C)[NH2+]C ZINC000630512261 412357724 /nfs/dbraw/zinc/35/77/24/412357724.db2.gz KGBMBXDUFPKVDC-SECBINFHSA-N 1 0 224.308 1.285 10 0 BDAERO CC[C@]1(C)C[C@@]2(CCS1)C[NH2+]CCN2 ZINC000039393174 171720205 /nfs/dbraw/zinc/72/02/05/171720205.db2.gz XCIXVAUMIGROCR-MNOVXSKESA-N 1 0 214.378 1.614 10 0 BDAERO CN(C(=O)c1ccco1)[C@H](C[NH3+])C(F)(F)F ZINC000662976696 412362230 /nfs/dbraw/zinc/36/22/30/412362230.db2.gz POFODPODWTYLOI-SSDOTTSWSA-N 1 0 236.193 1.241 10 0 BDAERO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000132960274 412376206 /nfs/dbraw/zinc/37/62/06/412376206.db2.gz ZWLXSMZKMXCNFZ-MNOVXSKESA-N 1 0 224.348 1.538 10 0 BDAERO CCc1ccc(C(=O)[C@H](C)N2CC[NH2+]CC2)cc1 ZINC000021952172 171788093 /nfs/dbraw/zinc/78/80/93/171788093.db2.gz YYNPEMAHCRRYDR-LBPRGKRZSA-N 1 0 246.354 1.725 10 0 BDAERO CCCc1nccnc1NC[C@@H]([NH3+])C(C)C ZINC000663270205 412401274 /nfs/dbraw/zinc/40/12/74/412401274.db2.gz HYZKNOXGVUMMLN-SNVBAGLBSA-N 1 0 222.336 1.824 10 0 BDAERO CCCc1nccnc1NCC[NH2+]CCOC ZINC000663272377 412404153 /nfs/dbraw/zinc/40/41/53/412404153.db2.gz MTEDOJATVBJMQR-UHFFFAOYSA-N 1 0 238.335 1.077 10 0 BDAERO Cn1c2ccccc2nc1NCC12CC(C1)C[NH2+]2 ZINC000663273754 412404434 /nfs/dbraw/zinc/40/44/34/412404434.db2.gz HLPNQGHVDFWRSD-UHFFFAOYSA-N 1 0 242.326 1.737 10 0 BDAERO CCCc1nccnc1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000663273217 412404489 /nfs/dbraw/zinc/40/44/89/412404489.db2.gz YCLZLHNERHWZEO-QWRGUYRKSA-N 1 0 234.347 1.603 10 0 BDAERO c1ccc2nc(NCC34CC(C3)C[NH2+]4)cnc2c1 ZINC000663274517 412405528 /nfs/dbraw/zinc/40/55/28/412405528.db2.gz RWHHBYOBKCPOOX-UHFFFAOYSA-N 1 0 240.310 1.794 10 0 BDAERO CCCc1nccnc1N[C@@H](C)[C@@H](C)[NH3+] ZINC000663275264 412405589 /nfs/dbraw/zinc/40/55/89/412405589.db2.gz UJLKRFQVCATLCA-BDAKNGLRSA-N 1 0 208.309 1.577 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nnc(C(F)F)s1 ZINC000663277453 412406658 /nfs/dbraw/zinc/40/66/58/412406658.db2.gz PHWHOANVZNIQJL-BYPYZUCNSA-N 1 0 222.264 1.496 10 0 BDAERO CCc1ccc(C[C@@H](O)[C@H]2CCC[NH2+]2)cc1 ZINC000041232908 171814230 /nfs/dbraw/zinc/81/42/30/171814230.db2.gz ISVCYCUVKFAPAK-ZIAGYGMSSA-N 1 0 219.328 1.904 10 0 BDAERO CCc1ccc2c(c1)[C@@H](O)C[C@@H]([NH2+]C)CO2 ZINC000039102267 171848442 /nfs/dbraw/zinc/84/84/42/171848442.db2.gz AJXBVJNCSHOTDV-PWSUYJOCSA-N 1 0 221.300 1.653 10 0 BDAERO CCc1nnc([C@@H](C[NH3+])c2ccccc2)[nH]1 ZINC000061609568 172002135 /nfs/dbraw/zinc/00/21/35/172002135.db2.gz HQVNDDXGPWTKEI-JTQLQIEISA-N 1 0 216.288 1.458 10 0 BDAERO CCc1nc2scc(C[C@H](C)[NH3+])n2n1 ZINC000011595874 172015115 /nfs/dbraw/zinc/01/51/15/172015115.db2.gz VVCWAZKLUODRIM-LURJTMIESA-N 1 0 210.306 1.243 10 0 BDAERO CCc1nnc(NC2CCC([NH3+])CC2)nc1CC ZINC000097836855 172058858 /nfs/dbraw/zinc/05/88/58/172058858.db2.gz YYZLLCNNXVKQFH-UHFFFAOYSA-N 1 0 249.362 1.678 10 0 BDAERO CCc1nnc(NC[C@@H]2CC[NH2+]C2)nc1CC ZINC000097838064 172060289 /nfs/dbraw/zinc/06/02/89/172060289.db2.gz JICFRZCOZPWUKP-SECBINFHSA-N 1 0 235.335 1.018 10 0 BDAERO CCc1nocc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000339283323 172099779 /nfs/dbraw/zinc/09/97/79/172099779.db2.gz PINRXNCTKBCELQ-CABZTGNLSA-N 1 0 224.304 1.488 10 0 BDAERO CCc1nsc([C@H]2C[NH+]3CCC2CC3)n1 ZINC000000004100 172107467 /nfs/dbraw/zinc/10/74/67/172107467.db2.gz RTKRHFIPTZHVGQ-VIFPVBQESA-N 1 0 223.345 1.910 10 0 BDAERO CCn1c(CNCC[NH3+])nc2ccccc21 ZINC000038046865 172144457 /nfs/dbraw/zinc/14/44/57/172144457.db2.gz QKIUWWKMQZQOSU-UHFFFAOYSA-N 1 0 218.304 1.105 10 0 BDAERO CCn1cc([C@@H]([NH3+])Cc2csc(C)n2)cn1 ZINC000055294790 172194020 /nfs/dbraw/zinc/19/40/20/172194020.db2.gz FUMUNVZVXYIVCC-NSHDSACASA-N 1 0 236.344 1.910 10 0 BDAERO CCn1cc([C@](O)([C@H](C)[NH3+])C(F)(F)F)cn1 ZINC000062784822 172198764 /nfs/dbraw/zinc/19/87/64/172198764.db2.gz YNXARUSDJIXIQG-POYBYMJQSA-N 1 0 237.225 1.000 10 0 BDAERO CCn1cccc1C(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038048519 172202332 /nfs/dbraw/zinc/20/23/32/172202332.db2.gz JTMDJUIQBMKSLQ-MNOVXSKESA-N 1 0 235.331 1.508 10 0 BDAERO CCn1cccc1C[NH2+]CCn1cc(C)cn1 ZINC000234190561 172207949 /nfs/dbraw/zinc/20/79/49/172207949.db2.gz CZECOZLNWOIKBY-UHFFFAOYSA-N 1 0 232.331 1.803 10 0 BDAERO CCn1cccc1C[NH2+][C@H](C)CCCO ZINC000087358459 172208663 /nfs/dbraw/zinc/20/86/63/172208663.db2.gz CXNUPXMZBNCOTN-LLVKDONJSA-N 1 0 210.321 1.759 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)[C@H](CO)SC ZINC000228329196 172209121 /nfs/dbraw/zinc/20/91/21/172209121.db2.gz PIGFQXHZEKQFCV-JQWIXIFHSA-N 1 0 242.388 1.710 10 0 BDAERO CCn1cccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000085609462 172209939 /nfs/dbraw/zinc/20/99/39/172209939.db2.gz RUHPRAVHVNAGNS-QWHCGFSZSA-N 1 0 222.332 1.901 10 0 BDAERO CCn1ccnc1C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000303990233 172218853 /nfs/dbraw/zinc/21/88/53/172218853.db2.gz LCSPOGBAHJFJCQ-NWDGAFQWSA-N 1 0 237.347 1.638 10 0 BDAERO CCn1ccnc1N1CCC[C@@H]([NH2+]C)C1 ZINC000053204981 172226379 /nfs/dbraw/zinc/22/63/79/172226379.db2.gz GOHMVCSCWXELFP-SNVBAGLBSA-N 1 0 208.309 1.091 10 0 BDAERO CCn1cc[nH+]c1N[C@@H]1CCCC[C@@H]1O ZINC000052006187 172227578 /nfs/dbraw/zinc/22/75/78/172227578.db2.gz HUOCEJGYYDZUPU-ZJUUUORDSA-N 1 0 209.293 1.618 10 0 BDAERO CCn1ccnc1OC[C@H]1CCCC[NH2+]1 ZINC000051883520 172228100 /nfs/dbraw/zinc/22/81/00/172228100.db2.gz GDYZDYCUFLCCTE-SNVBAGLBSA-N 1 0 209.293 1.424 10 0 BDAERO CCn1ccnc1[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000050892632 172229580 /nfs/dbraw/zinc/22/95/80/172229580.db2.gz GZOFRDOENBMPEK-ZDUSSCGKSA-N 1 0 243.310 1.886 10 0 BDAERO CCn1ccnc1[C@H]([NH3+])c1ccc(OC)cc1 ZINC000011735156 172230245 /nfs/dbraw/zinc/23/02/45/172230245.db2.gz XXGLJRIEUVKHPY-GFCCVEGCSA-N 1 0 231.299 1.960 10 0 BDAERO CCn1nccc1C[NH2+][C@H]1CCCCC[C@H]1O ZINC000160199182 172272113 /nfs/dbraw/zinc/27/21/13/172272113.db2.gz HLXQTNFFLWWKKP-QWHCGFSZSA-N 1 0 237.347 1.686 10 0 BDAERO CN(C(=O)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000037470135 172299348 /nfs/dbraw/zinc/29/93/48/172299348.db2.gz NDENQMSCPMIYHJ-NSHDSACASA-N 1 0 210.321 1.387 10 0 BDAERO CN(C(=O)CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000037470159 172300677 /nfs/dbraw/zinc/30/06/77/172300677.db2.gz CICZFLCTQMJROZ-JTQLQIEISA-N 1 0 212.337 1.633 10 0 BDAERO CN(C(=O)CC[NH2+]C1CC1)c1ccncc1 ZINC000077328581 172304562 /nfs/dbraw/zinc/30/45/62/172304562.db2.gz LXUCMQKEILPEKK-UHFFFAOYSA-N 1 0 219.288 1.187 10 0 BDAERO CN(C(=O)C[NH3+])c1cccc(Cl)c1Cl ZINC000020262092 172308687 /nfs/dbraw/zinc/30/86/87/172308687.db2.gz YZZFTEUPHLYPNI-UHFFFAOYSA-N 1 0 233.098 1.915 10 0 BDAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000054305960 172314145 /nfs/dbraw/zinc/31/41/45/172314145.db2.gz RYYBPWIUXFPISA-GHMZBOCLSA-N 1 0 242.388 1.340 10 0 BDAERO CN(C(=O)[C@@H]1CCCCO1)c1ccc(C[NH3+])cc1 ZINC000050958403 172326703 /nfs/dbraw/zinc/32/67/03/172326703.db2.gz ZQICOZHKYWSMAR-ZDUSSCGKSA-N 1 0 248.326 1.677 10 0 BDAERO CN(C(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCc2ccccc21 ZINC000036136655 172327802 /nfs/dbraw/zinc/32/78/02/172327802.db2.gz AOYNQOQAEFOCMJ-KBPBESRZSA-N 1 0 244.338 1.884 10 0 BDAERO CN(C(=O)[C@H]([NH3+])C(C)(C)C)[C@@H]1CCSC1 ZINC000077488174 172331416 /nfs/dbraw/zinc/33/14/16/172331416.db2.gz PQPOJRVTNLBJIU-BDAKNGLRSA-N 1 0 230.377 1.324 10 0 BDAERO CN(C(=O)[C@H]1CCCO1)c1ccc(C[NH3+])cc1 ZINC000020224954 172333930 /nfs/dbraw/zinc/33/39/30/172333930.db2.gz YURHNGBCKNRBIY-GFCCVEGCSA-N 1 0 234.299 1.287 10 0 BDAERO CN(C(=O)c1ccc(C[NH3+])cc1)c1ccccn1 ZINC000019812148 172339055 /nfs/dbraw/zinc/33/90/55/172339055.db2.gz LZRKLUPFCYWVCG-UHFFFAOYSA-N 1 0 241.294 1.817 10 0 BDAERO CN(C(=O)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000082348254 172344243 /nfs/dbraw/zinc/34/42/43/172344243.db2.gz JFWZIQQISKGIDD-VIFPVBQESA-N 1 0 224.329 1.572 10 0 BDAERO CN(C)C(=O)CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000037751898 172360217 /nfs/dbraw/zinc/36/02/17/172360217.db2.gz TUAFNGIIUSCZEU-GFCCVEGCSA-N 1 0 248.326 1.447 10 0 BDAERO CN(C)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107722557 172377336 /nfs/dbraw/zinc/37/73/36/172377336.db2.gz JTMQMXVBFUEZJH-GFCCVEGCSA-N 1 0 239.363 1.618 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2ccnc(Cl)c2)C1 ZINC000125100371 172529736 /nfs/dbraw/zinc/52/97/36/172529736.db2.gz UNDWOVUEVJDBEL-SNVBAGLBSA-N 1 0 225.723 1.875 10 0 BDAERO CN(C)c1cccc(OC2CC[NH2+]CC2)c1 ZINC000020399689 172568306 /nfs/dbraw/zinc/56/83/06/172568306.db2.gz OFOQUEPXJZXXAX-UHFFFAOYSA-N 1 0 220.316 1.883 10 0 BDAERO CN(C1CCOCC1)[C@@H]1CCCC[NH2+]C1 ZINC000054135090 172599036 /nfs/dbraw/zinc/59/90/36/172599036.db2.gz POPYCIKJJGJYIQ-GFCCVEGCSA-N 1 0 212.337 1.239 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1ncccc1O ZINC000095070812 172808808 /nfs/dbraw/zinc/80/88/08/172808808.db2.gz UKLLXYOWLONXJI-JTQLQIEISA-N 1 0 221.304 1.366 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)C(=O)c1ccsc1 ZINC000095070901 172828474 /nfs/dbraw/zinc/82/84/74/172828474.db2.gz ONAOADSWBVLRIP-SNVBAGLBSA-N 1 0 224.329 1.572 10 0 BDAERO CN(Cc1ccccn1)C[C@H]1CCCC[NH2+]1 ZINC000036777702 172880268 /nfs/dbraw/zinc/88/02/68/172880268.db2.gz JAVPSYNOSZUOPL-CYBMUJFWSA-N 1 0 219.332 1.656 10 0 BDAERO CN(Cc1ccoc1)C[C@@H]1CCCC[NH2+]1 ZINC000042448865 172903469 /nfs/dbraw/zinc/90/34/69/172903469.db2.gz GQUVHCRIXMVXIC-LBPRGKRZSA-N 1 0 208.305 1.854 10 0 BDAERO CN(c1nccc(Cl)n1)[C@H]1CCC[NH2+]C1 ZINC000095070560 172954679 /nfs/dbraw/zinc/95/46/79/172954679.db2.gz PPMQFKNMLOKUGE-QMMMGPOBSA-N 1 0 226.711 1.318 10 0 BDAERO C[NH+]1CCC(c2c[nH]c3ccc(N)nc32)CC1 ZINC000013523619 173000396 /nfs/dbraw/zinc/00/03/96/173000396.db2.gz LAOHESRIMKGEEK-UHFFFAOYSA-N 1 0 230.315 1.954 10 0 BDAERO CN1CCCC[C@H]1CNC1=[NH+]CCS1 ZINC000044563789 173010157 /nfs/dbraw/zinc/01/01/57/173010157.db2.gz GTZBDVFGWZDXCH-VIFPVBQESA-N 1 0 213.350 1.163 10 0 BDAERO CN1CCCC[C@H]1CNC1=[NH+]CCCS1 ZINC000044563785 173010806 /nfs/dbraw/zinc/01/08/06/173010806.db2.gz YVQUANXORWPNSU-JTQLQIEISA-N 1 0 227.377 1.553 10 0 BDAERO C[N@@H+]1CCCN(c2ccccc2C=O)CC1 ZINC000012370642 173019622 /nfs/dbraw/zinc/01/96/22/173019622.db2.gz IWGWGWJWXSGXKV-UHFFFAOYSA-N 1 0 218.300 1.641 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2cccc3[nH]c(=O)[nH]c32)C1 ZINC000034249531 173023092 /nfs/dbraw/zinc/02/30/92/173023092.db2.gz RLAGUNNVUNXECQ-SECBINFHSA-N 1 0 231.299 1.665 10 0 BDAERO C[N@@H+]1CCC[C@@H]2c3cccc(O)c3OC[C@H]21 ZINC000027857894 173035285 /nfs/dbraw/zinc/03/52/85/173035285.db2.gz CXGQRIUDJGHMQS-MWLCHTKSSA-N 1 0 219.284 1.962 10 0 BDAERO CN1CCC[C@H]([NH3+])[C@@H]1Cc1ccccc1 ZINC000082380097 173043627 /nfs/dbraw/zinc/04/36/27/173043627.db2.gz KWWJPJLZQQDOGT-STQMWFEESA-N 1 0 204.317 1.651 10 0 BDAERO C[N@@H+]1CCC[C@H](c2noc3c2CCN3)C1 ZINC000003704192 173047274 /nfs/dbraw/zinc/04/72/74/173047274.db2.gz TWPKIMJGAPYLNS-QMMMGPOBSA-N 1 0 207.277 1.452 10 0 BDAERO CN1CC[NH+](CC2(CO)CCCCC2)CC1 ZINC000049820508 173080607 /nfs/dbraw/zinc/08/06/07/173080607.db2.gz RXOYZNLJRGNHBM-UHFFFAOYSA-N 1 0 226.364 1.177 10 0 BDAERO CN1CCN(C[C@H]([NH3+])c2ccccc2)C1=O ZINC000052885747 173084829 /nfs/dbraw/zinc/08/48/29/173084829.db2.gz XBQBCWBXMZOWTO-NSHDSACASA-N 1 0 219.288 1.054 10 0 BDAERO C[NH+]1CCN(Cc2ccc(Cl)c(N)c2)CC1 ZINC000020071663 173087094 /nfs/dbraw/zinc/08/70/94/173087094.db2.gz PGEOJDOZZXRBMP-UHFFFAOYSA-N 1 0 239.750 1.670 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000091667277 173103406 /nfs/dbraw/zinc/10/34/06/173103406.db2.gz NUHQTFFIXOKKCO-DZGCQCFKSA-N 1 0 246.354 1.594 10 0 BDAERO CN1CC[C@@H](n2ncc(Br)c2N)C1 ZINC000061989959 173128884 /nfs/dbraw/zinc/12/88/84/173128884.db2.gz OFGHLUNDMAMCQE-ZCFIWIBFSA-N 1 0 245.124 1.104 10 0 BDAERO C[N@@H+]1CC[C@@](CO)(Nc2cccc(F)c2)C1 ZINC000061992166 173136121 /nfs/dbraw/zinc/13/61/21/173136121.db2.gz ZESOUQVHAWRQDW-GFCCVEGCSA-N 1 0 224.279 1.304 10 0 BDAERO C[N@@H+]1CC[C@H](CNCC(=O)Nc2ccccc2)C1 ZINC000037647477 173146880 /nfs/dbraw/zinc/14/68/80/173146880.db2.gz IBEFTGJNJHNWES-GFCCVEGCSA-N 1 0 247.342 1.166 10 0 BDAERO CN1CC[C@](CN)([NH+]2CCCCCCC2)C1 ZINC000061990133 173163225 /nfs/dbraw/zinc/16/32/25/173163225.db2.gz RMWXCQAAECVQPE-CYBMUJFWSA-N 1 0 225.380 1.286 10 0 BDAERO C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1cncs1)C2 ZINC000076684112 173206931 /nfs/dbraw/zinc/20/69/31/173206931.db2.gz LIQWRTIVOAQFNA-FGWVZKOKSA-N 1 0 237.372 1.858 10 0 BDAERO CNC(=O)CCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309545533 173243869 /nfs/dbraw/zinc/24/38/69/173243869.db2.gz GVNSNURIAYGBQK-QWRGUYRKSA-N 1 0 230.327 1.631 10 0 BDAERO CNC(=O)C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037254194 173277899 /nfs/dbraw/zinc/27/78/99/173277899.db2.gz HCZHXKCEDXHTIR-LLVKDONJSA-N 1 0 236.340 1.310 10 0 BDAERO CNC(=O)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000037207897 173278207 /nfs/dbraw/zinc/27/82/07/173278207.db2.gz XRBXKSQZDJLBQL-SNVBAGLBSA-N 1 0 236.340 1.559 10 0 BDAERO CNC(=O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000037117156 173278789 /nfs/dbraw/zinc/27/87/89/173278789.db2.gz LEAGOFCASVQRGI-LBPRGKRZSA-N 1 0 218.300 1.400 10 0 BDAERO CNC(=O)C[C@H]([NH3+])c1ccccc1Cl ZINC000041226566 173283171 /nfs/dbraw/zinc/28/31/71/173283171.db2.gz DDEWKIRMKSNAGH-VIFPVBQESA-N 1 0 212.680 1.476 10 0 BDAERO CNC(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000041708871 173293149 /nfs/dbraw/zinc/29/31/49/173293149.db2.gz YEZWBEBQVQBQKK-QMMMGPOBSA-N 1 0 207.277 1.718 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]CCC1CCCCC1 ZINC000037741880 173295240 /nfs/dbraw/zinc/29/52/40/173295240.db2.gz HEYPVSMGFYUPCF-SNVBAGLBSA-N 1 0 212.337 1.681 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000042561562 173302585 /nfs/dbraw/zinc/30/25/85/173302585.db2.gz KDYLVQLLVJGSKC-HIFPTAJRSA-N 1 0 246.354 1.965 10 0 BDAERO CNC(=O)[C@H](CCC[NH3+])c1ccc(OC)cc1 ZINC000076619122 173304571 /nfs/dbraw/zinc/30/45/71/173304571.db2.gz OHFJZPLIQXVBKG-GFCCVEGCSA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)c1ccc(C[NH3+])c(OC2CC2)c1 ZINC000095737962 173310366 /nfs/dbraw/zinc/31/03/66/173310366.db2.gz JXTVPFDNGDMTLE-UHFFFAOYSA-N 1 0 220.272 1.046 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(N(C)C)cc1C ZINC000061300700 173318251 /nfs/dbraw/zinc/31/82/51/173318251.db2.gz VZTIJROHBCCHSI-UHFFFAOYSA-N 1 0 249.358 1.998 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccccc1C ZINC000061316597 173318315 /nfs/dbraw/zinc/31/83/15/173318315.db2.gz ZRBYGBKJBSHWFH-UHFFFAOYSA-N 1 0 220.316 1.609 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(C)nc1 ZINC000062055390 173318489 /nfs/dbraw/zinc/31/84/89/173318489.db2.gz OFMPGWIHXIHRTB-UHFFFAOYSA-N 1 0 221.304 1.004 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccccn1 ZINC000061300445 173318496 /nfs/dbraw/zinc/31/84/96/173318496.db2.gz MTMBEWMYCDTCOH-SECBINFHSA-N 1 0 221.304 1.257 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000061300255 173318704 /nfs/dbraw/zinc/31/87/04/173318704.db2.gz YDMJTJHSIAPNMI-NXEZZACHSA-N 1 0 212.337 1.774 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(O)c1 ZINC000061318204 173319200 /nfs/dbraw/zinc/31/92/00/173319200.db2.gz MMMVNWVSJDBNOQ-UHFFFAOYSA-N 1 0 208.261 1.329 10 0 BDAERO C[NH2+]C(C)(C)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000061319422 173319777 /nfs/dbraw/zinc/31/97/77/173319777.db2.gz BAMQDBVYQXNWCS-AOOOYVTPSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+]C(C)(C)c1nncn1-c1ccccc1 ZINC000061152134 173321202 /nfs/dbraw/zinc/32/12/02/173321202.db2.gz RHJGBLHLXNKPSB-UHFFFAOYSA-N 1 0 216.288 1.722 10 0 BDAERO C[NH2+]C1CCC(N2C(=O)CCCC2=O)CC1 ZINC000036881184 173322260 /nfs/dbraw/zinc/32/22/60/173322260.db2.gz NCTQXBMLUHSZGK-UHFFFAOYSA-N 1 0 224.304 1.056 10 0 BDAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cnn(C)c1 ZINC000054602640 173324270 /nfs/dbraw/zinc/32/42/70/173324270.db2.gz SXLOAZWCOOFOOR-AGUYFDCRSA-N 1 0 248.374 1.525 10 0 BDAERO C[NH2+]CC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000037808318 173324742 /nfs/dbraw/zinc/32/47/42/173324742.db2.gz LUIIQCHWPWMZAZ-SNVBAGLBSA-N 1 0 236.315 1.434 10 0 BDAERO C[NH2+]CC(=O)NCCCc1ccc(F)cc1 ZINC000077337021 173329244 /nfs/dbraw/zinc/32/92/44/173329244.db2.gz ZQWLMOQTSGTMRB-UHFFFAOYSA-N 1 0 224.279 1.094 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(Cl)s1 ZINC000077298268 173333454 /nfs/dbraw/zinc/33/34/54/173333454.db2.gz UDMZZKUAKUAWAY-UHFFFAOYSA-N 1 0 204.682 1.559 10 0 BDAERO C[NH2+]CC(=O)c1c(OC)cccc1OC ZINC000082948476 173334941 /nfs/dbraw/zinc/33/49/41/173334941.db2.gz WIBDBWPZFLKRKP-UHFFFAOYSA-N 1 0 209.245 1.106 10 0 BDAERO C[NH2+]CC(=O)c1cnc2ccccc2c1 ZINC000083283414 173335688 /nfs/dbraw/zinc/33/56/88/173335688.db2.gz RVUMPPDNXHPSBX-UHFFFAOYSA-N 1 0 200.241 1.637 10 0 BDAERO C[NH2+]CC(C)(C)CN1CCO[C@H]2CCC[C@@H]21 ZINC000051252601 173335754 /nfs/dbraw/zinc/33/57/54/173335754.db2.gz UCRLQBNUNFCMJK-RYUDHWBXSA-N 1 0 226.364 1.485 10 0 BDAERO C[NH2+]CC1(Cc2cnn(C)c2)CCCC1 ZINC000054655365 173337503 /nfs/dbraw/zinc/33/75/03/173337503.db2.gz ATBAYQWBTKQYHP-UHFFFAOYSA-N 1 0 207.321 1.742 10 0 BDAERO C[NH2+]CCC(=O)Nc1cccc(-c2cnco2)c1 ZINC000043604667 173341923 /nfs/dbraw/zinc/34/19/23/173341923.db2.gz HTOQYEIUSROZET-UHFFFAOYSA-N 1 0 245.282 1.890 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc(C)c(C)c1 ZINC000077332478 173341976 /nfs/dbraw/zinc/34/19/76/173341976.db2.gz NOVGBEHDYKPVES-UHFFFAOYSA-N 1 0 221.300 1.956 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc(C)cc1C ZINC000077332275 173342245 /nfs/dbraw/zinc/34/22/45/173342245.db2.gz RVHDCCQAKHUMRK-UHFFFAOYSA-N 1 0 221.300 1.956 10 0 BDAERO C[NH2+]CCCC(=O)N[C@@]1(CO)CCC[C@@H](C)C1 ZINC000053128106 173344722 /nfs/dbraw/zinc/34/47/22/173344722.db2.gz OVVMCXJNWWHMSH-YPMHNXCESA-N 1 0 242.363 1.043 10 0 BDAERO C[NH2+]CCCCNC(=O)OCc1ccccc1 ZINC000039952161 173345470 /nfs/dbraw/zinc/34/54/70/173345470.db2.gz QSCGJKXJNHJIRC-UHFFFAOYSA-N 1 0 236.315 1.912 10 0 BDAERO C[NH2+]CCCNC(=O)C[C@H](C)C(C)C ZINC000121721549 173348279 /nfs/dbraw/zinc/34/82/79/173348279.db2.gz UCJCMCQLDSRAII-JTQLQIEISA-N 1 0 200.326 1.394 10 0 BDAERO C[NH2+]CCN(C)Cc1cc(C)c(OC)cc1C ZINC000077373185 173353257 /nfs/dbraw/zinc/35/32/57/173353257.db2.gz QFSWFPFFTLFWSG-UHFFFAOYSA-N 1 0 236.359 1.963 10 0 BDAERO C[NH2+]CCNC(=O)c1c[nH]c2ccccc12 ZINC000054244211 173354896 /nfs/dbraw/zinc/35/48/96/173354896.db2.gz NAFSNLNXSPWWHQ-UHFFFAOYSA-N 1 0 217.272 1.117 10 0 BDAERO C[NH2+]CCS(=O)(=O)c1ccc(C)cc1C ZINC000071533371 173357545 /nfs/dbraw/zinc/35/75/45/173357545.db2.gz LWCNIQLWDYXPOA-UHFFFAOYSA-N 1 0 227.329 1.297 10 0 BDAERO C[NH2+]CCOc1cnc2ccccc2n1 ZINC000052018269 173357916 /nfs/dbraw/zinc/35/79/16/173357916.db2.gz SGHROLZLAXMMRP-UHFFFAOYSA-N 1 0 203.245 1.228 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1ccccc1C ZINC000077334561 173358460 /nfs/dbraw/zinc/35/84/60/173358460.db2.gz ZZETUMZTCIFQQU-GFCCVEGCSA-N 1 0 222.332 1.402 10 0 BDAERO C[NH2+]CC[C@H](O)c1cc(OC)c(OC)cc1C ZINC000107291472 173358846 /nfs/dbraw/zinc/35/88/46/173358846.db2.gz AFNCLJMKIUTTGV-NSHDSACASA-N 1 0 239.315 1.655 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1ccccc1C ZINC000077334565 173359205 /nfs/dbraw/zinc/35/92/05/173359205.db2.gz ZZETUMZTCIFQQU-LBPRGKRZSA-N 1 0 222.332 1.402 10 0 BDAERO C[NH2+]CCc1nnc(-c2cccs2)[nH]1 ZINC000054700132 173361351 /nfs/dbraw/zinc/36/13/51/173361351.db2.gz HWYVEULSUWZQPP-UHFFFAOYSA-N 1 0 208.290 1.295 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)N1CCSCC1 ZINC000052425430 173361891 /nfs/dbraw/zinc/36/18/91/173361891.db2.gz PLUNLJNWDPQCSM-JTQLQIEISA-N 1 0 202.367 1.279 10 0 BDAERO C[NH2+]CCc1noc(-c2cc(C)ccc2OC)n1 ZINC000052944032 173361971 /nfs/dbraw/zinc/36/19/71/173361971.db2.gz DVULDLHTOBQVIU-UHFFFAOYSA-N 1 0 247.298 1.816 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc3c(c2)CCC3)n1 ZINC000051850661 173361973 /nfs/dbraw/zinc/36/19/73/173361973.db2.gz CJYIHIHUIBZVSR-UHFFFAOYSA-N 1 0 243.310 1.987 10 0 BDAERO C[NH2+]CCc1nnc(-c2cc(F)ccc2F)o1 ZINC000050619532 173362082 /nfs/dbraw/zinc/36/20/82/173362082.db2.gz FPRALWQVPSCUIF-UHFFFAOYSA-N 1 0 239.225 1.777 10 0 BDAERO C[NH2+]CCc1noc(C2CCCCC2)n1 ZINC000049455658 173362192 /nfs/dbraw/zinc/36/21/92/173362192.db2.gz SVFUMENTLJJTLF-UHFFFAOYSA-N 1 0 209.293 1.879 10 0 BDAERO C[NH2+]C[C@@H](O)CN(C)c1cc(C)ccc1OC ZINC000077384009 173364495 /nfs/dbraw/zinc/36/44/95/173364495.db2.gz NAWOMXMPBMIPCV-LLVKDONJSA-N 1 0 238.331 1.020 10 0 BDAERO C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000082600486 173364739 /nfs/dbraw/zinc/36/47/39/173364739.db2.gz FKOPVGVEGJZLFZ-SECBINFHSA-N 1 0 227.329 1.413 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ncnc2ccccc21 ZINC000051867751 173364929 /nfs/dbraw/zinc/36/49/29/173364929.db2.gz WCWZHLRCFNFPPJ-SECBINFHSA-N 1 0 217.272 1.617 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1cccc(Br)c1 ZINC000041289822 173365361 /nfs/dbraw/zinc/36/53/61/173365361.db2.gz XPRSOSZLVZHYOM-JTQLQIEISA-N 1 0 244.132 1.572 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2OC)C1 ZINC000053032968 173370867 /nfs/dbraw/zinc/37/08/67/173370867.db2.gz VPXQNAQYCNSHDQ-JTQLQIEISA-N 1 0 238.306 1.880 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ccnc3cccnc32)C1 ZINC000341024414 173370918 /nfs/dbraw/zinc/37/09/18/173370918.db2.gz ZVNWPNYYTZPXRR-NSHDSACASA-N 1 0 242.326 1.676 10 0 BDAERO C[NH2+]C[C@@H]1CN(C2CCCCC2)CCO1 ZINC000071518563 173371628 /nfs/dbraw/zinc/37/16/28/173371628.db2.gz LKGIWHJNINUQKZ-GFCCVEGCSA-N 1 0 212.337 1.239 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc(F)c(Cl)c1 ZINC000055032724 173372281 /nfs/dbraw/zinc/37/22/81/173372281.db2.gz VAELVLGRNMJMJY-SNVBAGLBSA-N 1 0 217.671 1.906 10 0 BDAERO C[NH2+]C[C@@]1(Cc2cnc(C)s2)CCOC1 ZINC000062337780 173373039 /nfs/dbraw/zinc/37/30/39/173373039.db2.gz LFNUITXWXAEIFD-NSHDSACASA-N 1 0 226.345 1.620 10 0 BDAERO C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCOC1 ZINC000054663828 173373080 /nfs/dbraw/zinc/37/30/80/173373080.db2.gz BVOWKFDVJMOPPZ-ZDUSSCGKSA-N 1 0 223.291 1.994 10 0 BDAERO C[NH2+]C[C@@]1(CC2CCOCC2)CCOC1 ZINC000054663918 173373209 /nfs/dbraw/zinc/37/32/09/173373209.db2.gz MQPXYXHCHLAENH-LBPRGKRZSA-N 1 0 213.321 1.429 10 0 BDAERO C[NH2+]C[C@H](C)COc1ccc(OC)cc1 ZINC000041218749 173375272 /nfs/dbraw/zinc/37/52/72/173375272.db2.gz FRWNXECKNKMMQF-JTQLQIEISA-N 1 0 209.289 1.930 10 0 BDAERO C[NH2+]C[C@H](C)c1c(C)nc(CCOC)nc1C ZINC000054854738 173375986 /nfs/dbraw/zinc/37/59/86/173375986.db2.gz DNTKTEZRKADPFB-VIFPVBQESA-N 1 0 237.347 1.605 10 0 BDAERO C[NH2+]C[C@H](C)Oc1cccc(F)c1F ZINC000062654379 173376053 /nfs/dbraw/zinc/37/60/53/173376053.db2.gz LUXVRHDCMPYHIQ-ZETCQYMHSA-N 1 0 201.216 1.952 10 0 BDAERO C[NH2+]C[C@H](C)Cn1ncc2ccccc21 ZINC000052574318 173376114 /nfs/dbraw/zinc/37/61/14/173376114.db2.gz QUBGJGRGVXMWPN-JTQLQIEISA-N 1 0 203.289 1.892 10 0 BDAERO C[NH2+]C[C@H](O)COc1ccc2c(c1)CCCC2 ZINC000033465478 173376494 /nfs/dbraw/zinc/37/64/94/173376494.db2.gz HPSDGSFYFSBYHO-ZDUSSCGKSA-N 1 0 235.327 1.525 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(OC)c(OC(C)C)c1 ZINC000033468627 173377097 /nfs/dbraw/zinc/37/70/97/173377097.db2.gz DLKNHOSIRXEJPF-NSHDSACASA-N 1 0 239.315 1.735 10 0 BDAERO C[NH2+]C[C@H](c1ccccc1)N(C)CCCOC ZINC000062036121 173378048 /nfs/dbraw/zinc/37/80/48/173378048.db2.gz GBNIHTJUOMYDCJ-CQSZACIVSA-N 1 0 236.359 1.915 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cnoc1C ZINC000063167875 173378188 /nfs/dbraw/zinc/37/81/88/173378188.db2.gz XLBJPDLGGWNPDH-SNVBAGLBSA-N 1 0 237.303 1.197 10 0 BDAERO C[NH2+]C[C@H]1CN(c2ccc(F)cc2)C(=O)O1 ZINC000077336765 173382768 /nfs/dbraw/zinc/38/27/68/173382768.db2.gz FOOVECUOUIHCEI-JTQLQIEISA-N 1 0 224.235 1.370 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccccc1OCCOC ZINC000033468676 173383521 /nfs/dbraw/zinc/38/35/21/173383521.db2.gz OJFVSPMDZRROSF-ZDUSSCGKSA-N 1 0 239.315 1.139 10 0 BDAERO C[NH2+]C[C@](C)(O)c1c(C)cc(C)cc1OC ZINC000082539621 173383607 /nfs/dbraw/zinc/38/36/07/173383607.db2.gz AXSJZLFCVCXYMR-ZDUSSCGKSA-N 1 0 223.316 1.739 10 0 BDAERO C[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000040932419 173383755 /nfs/dbraw/zinc/38/37/55/173383755.db2.gz DHTSASJLSMXSTQ-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1c(-n2ccnc2C)nc2ccccn21 ZINC000035449836 173384155 /nfs/dbraw/zinc/38/41/55/173384155.db2.gz UGXWKTGKXJFNPB-UHFFFAOYSA-N 1 0 241.298 1.548 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N1CCSCC1 ZINC000034824406 173385473 /nfs/dbraw/zinc/38/54/73/173385473.db2.gz BXFXGQDQACNGSU-UHFFFAOYSA-N 1 0 240.376 1.001 10 0 BDAERO C[NH2+]Cc1cc(-c2ccccc2F)n[nH]1 ZINC000050478947 173386134 /nfs/dbraw/zinc/38/61/34/173386134.db2.gz FCHURXMGYPKVMY-UHFFFAOYSA-N 1 0 205.236 1.935 10 0 BDAERO C[NH2+]Cc1cc(-c2cncnc2)cs1 ZINC000052886563 173386151 /nfs/dbraw/zinc/38/61/51/173386151.db2.gz UTHCQTMXRZESGC-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1cc(F)c(-n2ccnc2)c(F)c1 ZINC000062719517 173386544 /nfs/dbraw/zinc/38/65/44/173386544.db2.gz MITJNJVJZHAXJY-UHFFFAOYSA-N 1 0 223.226 1.870 10 0 BDAERO C[NH2+]Cc1cc(Cn2cccn2)c(C)o1 ZINC000052574930 173386803 /nfs/dbraw/zinc/38/68/03/173386803.db2.gz NBULVXZPQCVDKS-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+]Cc1cc(Cn2cc(C)cn2)oc1C ZINC000052576851 173387625 /nfs/dbraw/zinc/38/76/25/173387625.db2.gz DXLKMOXJTSNMDK-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+]Cc1ccc(-n2cc(C)cn2)cc1 ZINC000037677767 173387825 /nfs/dbraw/zinc/38/78/25/173387825.db2.gz XRVXJUCYAKREMS-UHFFFAOYSA-N 1 0 201.273 1.900 10 0 BDAERO C[NH2+]Cc1ccc(N2CC[C@@H](C)C2)nc1 ZINC000051448446 173389041 /nfs/dbraw/zinc/38/90/41/173389041.db2.gz WOQZVLYLUSKISK-SNVBAGLBSA-N 1 0 205.305 1.647 10 0 BDAERO C[NH2+]Cc1ccc(O[C@@H](C)C(=O)NC2CC2)cc1 ZINC000034657318 173389179 /nfs/dbraw/zinc/38/91/79/173389179.db2.gz JZXVBCXWOGYXSR-JTQLQIEISA-N 1 0 248.326 1.452 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)c2cnns2)c1 ZINC000036282378 173389560 /nfs/dbraw/zinc/38/95/60/173389560.db2.gz WLAMNGJTRNMXBF-UHFFFAOYSA-N 1 0 248.311 1.510 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)c1cc[nH]n1 ZINC000062778112 173390138 /nfs/dbraw/zinc/39/01/38/173390138.db2.gz AFXDKNXYPBKJME-UHFFFAOYSA-N 1 0 230.271 1.381 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCC[C@H]2C)c1 ZINC000051398796 173390938 /nfs/dbraw/zinc/39/09/38/173390938.db2.gz WCMNJNBLAVUAGV-SNVBAGLBSA-N 1 0 205.305 1.790 10 0 BDAERO C[NH2+]Cc1cnn(Cc2ccccc2C)c1 ZINC000054719140 173393371 /nfs/dbraw/zinc/39/33/71/173393371.db2.gz XDUUOLGUGNBIFZ-UHFFFAOYSA-N 1 0 215.300 1.959 10 0 BDAERO C[NH2+]Cc1cnn(Cc2ccccc2)c1C ZINC000042355612 173393439 /nfs/dbraw/zinc/39/34/39/173393439.db2.gz KWMZNICTNYGZBO-UHFFFAOYSA-N 1 0 215.300 1.959 10 0 BDAERO C[NH2+]Cc1nc2ccccc2n1CCCOC ZINC000040163798 173396359 /nfs/dbraw/zinc/39/63/59/173396359.db2.gz QZRHZFYOLZIZIN-UHFFFAOYSA-N 1 0 233.315 1.792 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000049933645 173397083 /nfs/dbraw/zinc/39/70/83/173397083.db2.gz HRKWCZKFPLTMLY-UHFFFAOYSA-N 1 0 219.244 1.465 10 0 BDAERO C[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000048655217 173397418 /nfs/dbraw/zinc/39/74/18/173397418.db2.gz QEAIBVKUHIIHSF-UHFFFAOYSA-N 1 0 207.233 1.666 10 0 BDAERO C[NH2+]Cc1nc2cc(Br)cnc2[nH]1 ZINC000043460874 173397590 /nfs/dbraw/zinc/39/75/90/173397590.db2.gz YAAHMVKZZXRJSX-UHFFFAOYSA-N 1 0 241.092 1.440 10 0 BDAERO C[NH2+]Cc1nccn1Cc1cnc(C)s1 ZINC000062337173 173397801 /nfs/dbraw/zinc/39/78/01/173397801.db2.gz SBSYTZOZCLZLQH-UHFFFAOYSA-N 1 0 222.317 1.416 10 0 BDAERO C[NH2+]Cc1occc1CN1C[C@H](C)OC[C@H]1C ZINC000052476449 173399347 /nfs/dbraw/zinc/39/93/47/173399347.db2.gz RSPURWIFYNNBSW-MNOVXSKESA-N 1 0 238.331 1.608 10 0 BDAERO C[NH2+][C@@H](Cc1ccccc1)c1cnn(C)c1 ZINC000035500386 173425807 /nfs/dbraw/zinc/42/58/07/173425807.db2.gz PYFUVGDXPFHTSN-ZDUSSCGKSA-N 1 0 215.300 1.923 10 0 BDAERO C[NH2+][C@H](Cc1ncc[nH]1)Cc1ccc(OC)cc1 ZINC000035504309 173426092 /nfs/dbraw/zinc/42/60/92/173426092.db2.gz POMFNEREZXNNQE-LBPRGKRZSA-N 1 0 245.326 1.792 10 0 BDAERO C[NH2+][C@@]12C[C@@H]1CCN(C(=O)OC(C)(C)C)C2 ZINC000091304833 173441389 /nfs/dbraw/zinc/44/13/89/173441389.db2.gz NQHJRAWMDSJJCU-JOYOIKCWSA-N 1 0 226.320 1.605 10 0 BDAERO C[NH2+][C@H](C)[C@H](C)N1CCOCC1(C)C ZINC000043916915 173447460 /nfs/dbraw/zinc/44/74/60/173447460.db2.gz XZPYUZRHIVGVOK-ZJUUUORDSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+][C@H](C1CCC1)[C@H]1CCCCS1(=O)=O ZINC000157349416 173451268 /nfs/dbraw/zinc/45/12/68/173451268.db2.gz KMTTUMIOCBKVNY-GHMZBOCLSA-N 1 0 231.361 1.342 10 0 BDAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(N)ncc21 ZINC000050101145 173459663 /nfs/dbraw/zinc/45/96/63/173459663.db2.gz WTHKISMXKALHPZ-QMMMGPOBSA-N 1 0 206.293 1.292 10 0 BDAERO C[NH2+][C@H]1CCCCC[C@H]1c1nc(COC)no1 ZINC000104056170 173460824 /nfs/dbraw/zinc/46/08/24/173460824.db2.gz FOVROWLKMWRLKY-ZJUUUORDSA-N 1 0 239.319 1.852 10 0 BDAERO C[NH2+][C@H]1CCOC[C@H]1n1nc(C)cc1C ZINC000043994891 173467232 /nfs/dbraw/zinc/46/72/32/173467232.db2.gz XUTKZQFBXJHGAE-WDEREUQCSA-N 1 0 209.293 1.049 10 0 BDAERO COC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000035735533 173544224 /nfs/dbraw/zinc/54/42/24/173544224.db2.gz PUFXPBKUOMOWEP-UWVGGRQHSA-N 1 0 215.293 1.097 10 0 BDAERO COC(=O)[C@]1(N2CC[NH2+]CC2)CCCC[C@H]1C ZINC000037963641 173839293 /nfs/dbraw/zinc/83/92/93/173839293.db2.gz MAWSFEDRSMRKKL-YPMHNXCESA-N 1 0 240.347 1.014 10 0 BDAERO COC(=O)c1ccc(NC2CC[NH2+]CC2)c(C)c1 ZINC000038041259 173883451 /nfs/dbraw/zinc/88/34/51/173883451.db2.gz TUIKRLPSUKUZEZ-UHFFFAOYSA-N 1 0 248.326 1.946 10 0 BDAERO COC1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000037265845 174030606 /nfs/dbraw/zinc/03/06/06/174030606.db2.gz AJJUHDYNDZPDHF-LBPRGKRZSA-N 1 0 240.372 1.859 10 0 BDAERO COC1CCN(c2nc(C)c(C[NH3+])s2)CC1 ZINC000054997116 174031751 /nfs/dbraw/zinc/03/17/51/174031751.db2.gz DFXVONWWYDQHIO-UHFFFAOYSA-N 1 0 241.360 1.525 10 0 BDAERO COCCC[N@@H+]1CC(C)(C)NC[C@H]1C ZINC000041210390 174225450 /nfs/dbraw/zinc/22/54/50/174225450.db2.gz ZEALXLHTDPYXSG-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO COCCC[N@H+](CCOC)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042421833 174226107 /nfs/dbraw/zinc/22/61/07/174226107.db2.gz CYOMIXWCNCCQDN-STQMWFEESA-N 1 0 244.379 1.241 10 0 BDAERO COCCC[N@H+](CCOC)[C@H]1CCC[C@@H]1C[NH3+] ZINC000042408710 174227117 /nfs/dbraw/zinc/22/71/17/174227117.db2.gz DJRVSYGEUDBDEP-OLZOCXBDSA-N 1 0 244.379 1.099 10 0 BDAERO COCCC[NH2+]CCOc1ccccc1F ZINC000041248216 174246632 /nfs/dbraw/zinc/24/66/32/174246632.db2.gz NEEMHBSQTCLTFK-UHFFFAOYSA-N 1 0 227.279 1.831 10 0 BDAERO COCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000308555501 174263849 /nfs/dbraw/zinc/26/38/49/174263849.db2.gz ZDBZYUZSUCGMID-HBNTYKKESA-N 1 0 201.310 1.569 10 0 BDAERO COCCC[C@]1(C[NH2+]CCOC)CCCOC1 ZINC000062229825 174264556 /nfs/dbraw/zinc/26/45/56/174264556.db2.gz OGTZRROZXQDYLW-CYBMUJFWSA-N 1 0 245.363 1.446 10 0 BDAERO COCCN(C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000048924460 174283781 /nfs/dbraw/zinc/28/37/81/174283781.db2.gz OLMYVWJIYSUOLN-QWRGUYRKSA-N 1 0 200.326 1.225 10 0 BDAERO COCCN([C@@H](C)COC)C1(C[NH3+])CCCC1 ZINC000042606621 174302046 /nfs/dbraw/zinc/30/20/46/174302046.db2.gz JIDRJWQBZYXZKL-LBPRGKRZSA-N 1 0 244.379 1.241 10 0 BDAERO COCCN(c1cc[nH+]cc1N)[C@H](C)C1CC1 ZINC000042614579 174302096 /nfs/dbraw/zinc/30/20/96/174302096.db2.gz OBIQNMJBXQWYBH-SNVBAGLBSA-N 1 0 235.331 1.915 10 0 BDAERO COCCN1CC[N@H+](CCOC(C)C)C[C@@H]1C ZINC000105832820 174310159 /nfs/dbraw/zinc/31/01/59/174310159.db2.gz FVHDYBPSYAUJRM-ZDUSSCGKSA-N 1 0 244.379 1.064 10 0 BDAERO COCC[NH2+]CCCn1ncc2ccccc21 ZINC000053537110 174332236 /nfs/dbraw/zinc/33/22/36/174332236.db2.gz KHTAYIKITKJESL-UHFFFAOYSA-N 1 0 233.315 1.662 10 0 BDAERO COCC[NH2+]Cc1c[nH]c2ccccc12 ZINC000048408648 174334584 /nfs/dbraw/zinc/33/45/84/174334584.db2.gz NDZWMVMPWMBXCN-UHFFFAOYSA-N 1 0 204.273 1.904 10 0 BDAERO COCC[NH2+]Cc1c(C)[nH]c(C(=O)OC)c1C ZINC000070463093 174334830 /nfs/dbraw/zinc/33/48/30/174334830.db2.gz ORZBUAPHCNRPLR-UHFFFAOYSA-N 1 0 240.303 1.154 10 0 BDAERO COCC[NH2+]Cc1cccc(OCCCO)c1 ZINC000062731742 174336046 /nfs/dbraw/zinc/33/60/46/174336046.db2.gz KTQBQLWSRGBXRG-UHFFFAOYSA-N 1 0 239.315 1.184 10 0 BDAERO COCC[NH2+]Cc1cnn(CC(C)(C)C)c1 ZINC000073739529 174336285 /nfs/dbraw/zinc/33/62/85/174336285.db2.gz OFBUFDNQEDKLCX-UHFFFAOYSA-N 1 0 225.336 1.665 10 0 BDAERO COCC[NH2+][C@H](C)c1ccc(N)c(F)c1 ZINC000020550873 174339999 /nfs/dbraw/zinc/33/99/99/174339999.db2.gz UGUVTMTUISEKCD-MRVPVSSYSA-N 1 0 212.268 1.705 10 0 BDAERO COCCNc1ccc(CC[NH3+])cc1F ZINC000071518538 174341004 /nfs/dbraw/zinc/34/10/04/174341004.db2.gz KJXDQOPWNRHTLE-UHFFFAOYSA-N 1 0 212.268 1.385 10 0 BDAERO COCCOc1ccc2c(c1)CC[NH2+]C2 ZINC000071494764 174369879 /nfs/dbraw/zinc/36/98/79/174369879.db2.gz GRPUMXBYKZBGOO-UHFFFAOYSA-N 1 0 207.273 1.358 10 0 BDAERO COCC[C@@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368002202 174385470 /nfs/dbraw/zinc/38/54/70/174385470.db2.gz USUQXVLKXAHIOX-NXEZZACHSA-N 1 0 223.320 1.282 10 0 BDAERO COCC[C@@H]([NH3+])C(=O)N(C)c1cccc(F)c1 ZINC000052810374 174392156 /nfs/dbraw/zinc/39/21/56/174392156.db2.gz GOZCFOJMOFDXCZ-LLVKDONJSA-N 1 0 240.278 1.152 10 0 BDAERO COCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000090395208 174398517 /nfs/dbraw/zinc/39/85/17/174398517.db2.gz JVRFUAIQPLFAGT-SNVBAGLBSA-N 1 0 244.335 1.232 10 0 BDAERO COC[C@H](O)CN(C)c1cc[nH+]c2ccccc21 ZINC000042516679 174591322 /nfs/dbraw/zinc/59/13/22/174591322.db2.gz QYXBLOVBHZOTLX-LLVKDONJSA-N 1 0 246.310 1.678 10 0 BDAERO COCc1noc(C2([NH3+])CCC(C)CC2)n1 ZINC000049672039 174648609 /nfs/dbraw/zinc/64/86/09/174648609.db2.gz QPSDKZWUTDDWTP-UHFFFAOYSA-N 1 0 225.292 1.580 10 0 BDAERO CON(C)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972060 174660166 /nfs/dbraw/zinc/66/01/66/174660166.db2.gz PDFCUKBEAFUZST-KCJUWKMLSA-N 1 0 212.268 1.707 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCCO)C12CCC2 ZINC000373350711 174782807 /nfs/dbraw/zinc/78/28/07/174782807.db2.gz PAVWRXRBLZARPI-SDDRHHMPSA-N 1 0 227.348 1.552 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000309669782 174851637 /nfs/dbraw/zinc/85/16/37/174851637.db2.gz VOFMATZCYDGFQG-HBNTYKKESA-N 1 0 223.320 1.211 10 0 BDAERO COc1c(C[C@@H]2CCC[NH2+]2)c(C)nn1C ZINC000083289309 174929510 /nfs/dbraw/zinc/92/95/10/174929510.db2.gz BBJOPNZGVNVFOB-VIFPVBQESA-N 1 0 209.293 1.032 10 0 BDAERO COc1cc(OC)c(OC)c2c1CC[NH2+][C@H]2C ZINC000052095386 175007181 /nfs/dbraw/zinc/00/71/81/175007181.db2.gz HZPXHTUVDMRBPJ-QMMMGPOBSA-N 1 0 237.299 1.919 10 0 BDAERO COc1cc(OC)c([C@@H](O)[C@H](C)[NH3+])c(OC)c1 ZINC000037376581 175007936 /nfs/dbraw/zinc/00/79/36/175007936.db2.gz QXYNTIYYQANHBR-MADCSZMMSA-N 1 0 241.287 1.093 10 0 BDAERO COc1cc2cc[nH+]c(N)c2c(OC)c1 ZINC000071482611 175008649 /nfs/dbraw/zinc/00/86/49/175008649.db2.gz RNXHJFDRDVPGLR-UHFFFAOYSA-N 1 0 204.229 1.834 10 0 BDAERO COc1cc(OC)cc(OCC[C@@H](C)[NH3+])c1 ZINC000032015032 175010141 /nfs/dbraw/zinc/01/01/41/175010141.db2.gz WVFMKNYCVVZJQR-SECBINFHSA-N 1 0 225.288 1.820 10 0 BDAERO COc1cc([C@@H]2[NH2+]CCS2)ccc1O ZINC000060095388 175015444 /nfs/dbraw/zinc/01/54/44/175015444.db2.gz ARBGBCQCAFWNDH-SNVBAGLBSA-N 1 0 211.286 1.736 10 0 BDAERO COc1cc([C@H](C[NH3+])OC)ccc1Cl ZINC000095935573 175016089 /nfs/dbraw/zinc/01/60/89/175016089.db2.gz OQUJLTSLLVISOY-JTQLQIEISA-N 1 0 215.680 1.995 10 0 BDAERO COc1cc2[nH]cc(CC[NH3+])c2cc1OC ZINC000005661240 175018760 /nfs/dbraw/zinc/01/87/60/175018760.db2.gz RUBWDHXESZEALO-UHFFFAOYSA-N 1 0 220.272 1.686 10 0 BDAERO COc1cc2c(c(OC)c1)C[NH2+][C@@H](C)C2 ZINC000052095264 175019199 /nfs/dbraw/zinc/01/91/99/175019199.db2.gz KAQCHPCPKGHGLB-QMMMGPOBSA-N 1 0 207.273 1.738 10 0 BDAERO COc1cc2c(cc1C)CCC[C@@H]([NH3+])C2=O ZINC000039110177 175021454 /nfs/dbraw/zinc/02/14/54/175021454.db2.gz FRRHJTAQJBZULD-LLVKDONJSA-N 1 0 219.284 1.850 10 0 BDAERO COc1cc2c(cc1C[C@@H](C)[NH3+])OCC2 ZINC000013860958 175021700 /nfs/dbraw/zinc/02/17/00/175021700.db2.gz IUKWXRPAJLVHHN-MRVPVSSYSA-N 1 0 207.273 1.520 10 0 BDAERO COc1ccc(-c2ccc(C[NH3+])c(=O)[nH]2)cc1 ZINC000043404321 175033358 /nfs/dbraw/zinc/03/33/58/175033358.db2.gz NNGLVVXXIBHUAD-UHFFFAOYSA-N 1 0 230.267 1.509 10 0 BDAERO COc1ccc(-c2nnc(C[NH3+])[nH]2)cc1C ZINC000082543377 175039433 /nfs/dbraw/zinc/03/94/33/175039433.db2.gz HHRRFKHWXKPHNQ-UHFFFAOYSA-N 1 0 218.260 1.247 10 0 BDAERO COc1ccc(-n2nc(C)c(C[NH3+])c2C)cc1 ZINC000019732004 175045000 /nfs/dbraw/zinc/04/50/00/175045000.db2.gz DCMYIBSZXOTOIY-UHFFFAOYSA-N 1 0 231.299 1.956 10 0 BDAERO COc1ccc(C(=O)CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000050250220 175053589 /nfs/dbraw/zinc/05/35/89/175053589.db2.gz DWDBOIVCBOXNII-NSHDSACASA-N 1 0 248.326 1.159 10 0 BDAERO COc1ccc(C(=O)N(C)[C@H](C)CC[NH3+])cc1 ZINC000063085666 175054975 /nfs/dbraw/zinc/05/49/75/175054975.db2.gz UAVKHLGNSRBFKP-SNVBAGLBSA-N 1 0 236.315 1.505 10 0 BDAERO COc1ccc(C(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000036161267 175065354 /nfs/dbraw/zinc/06/53/54/175065354.db2.gz VWKUNXQVHQMUNY-JTQLQIEISA-N 1 0 223.247 1.769 10 0 BDAERO COc1ccc(C(=O)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000082721879 175066404 /nfs/dbraw/zinc/06/64/04/175066404.db2.gz NOGWFBRZXPGEMW-GFCCVEGCSA-N 1 0 219.284 1.938 10 0 BDAERO COc1ccc(C)cc1-c1nc(C[C@@H](C)[NH3+])no1 ZINC000054161115 175072013 /nfs/dbraw/zinc/07/20/13/175072013.db2.gz FIIDMURBXOABEC-SECBINFHSA-N 1 0 247.298 1.943 10 0 BDAERO COc1ccc(C)cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000052943381 175073094 /nfs/dbraw/zinc/07/30/94/175073094.db2.gz MFVAGBGWIBUDPG-LLVKDONJSA-N 1 0 248.326 1.438 10 0 BDAERO COc1ccc(C)cc1C(=O)[C@@H]1CCC[NH2+]1 ZINC000011630667 175074060 /nfs/dbraw/zinc/07/40/60/175074060.db2.gz UXKDCDXYMUXREK-NSHDSACASA-N 1 0 219.284 1.938 10 0 BDAERO COc1ccc(C)cc1C[C@@]1(O)CC[N@H+](C)C1 ZINC000061987051 175076619 /nfs/dbraw/zinc/07/66/19/175076619.db2.gz XDMVLFQILKFJPJ-AWEZNQCLSA-N 1 0 235.327 1.613 10 0 BDAERO COc1ccc(C)cc1[C@@H](O)C[NH2+]C1CC1 ZINC000037871916 175080229 /nfs/dbraw/zinc/08/02/29/175080229.db2.gz JZHQEUSOJBQJRH-LBPRGKRZSA-N 1 0 221.300 1.789 10 0 BDAERO COc1ccc(C)cc1[C@@H](O)C[NH+](C)C ZINC000042246100 175080261 /nfs/dbraw/zinc/08/02/61/175080261.db2.gz RJWYKUCTWFLJCT-NSHDSACASA-N 1 0 209.289 1.599 10 0 BDAERO COc1ccc(C)cc1[C@H]([NH3+])[C@H]1COCCO1 ZINC000055300869 175081747 /nfs/dbraw/zinc/08/17/47/175081747.db2.gz CYJXJMGKTXDINX-OLZOCXBDSA-N 1 0 237.299 1.419 10 0 BDAERO COc1ccc(C=O)c(OCC[NH+]2CCCC2)c1 ZINC000011803553 175086053 /nfs/dbraw/zinc/08/60/53/175086053.db2.gz PCIUPCACSJOKGA-UHFFFAOYSA-N 1 0 249.310 1.982 10 0 BDAERO COc1ccc(CCC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000071536975 175088478 /nfs/dbraw/zinc/08/84/78/175088478.db2.gz NTUGOAGLFJMZGX-CYBMUJFWSA-N 1 0 233.311 1.949 10 0 BDAERO COc1ccc(CC[NH3+])cc1OCc1ccno1 ZINC000037721772 175090618 /nfs/dbraw/zinc/09/06/18/175090618.db2.gz PLCUGTPWUUBQCC-UHFFFAOYSA-N 1 0 248.282 1.763 10 0 BDAERO COc1ccc(CC[NH2+]C[C@H](C)O)cc1C ZINC000098124833 175091395 /nfs/dbraw/zinc/09/13/95/175091395.db2.gz OTRISJINVVVWFQ-NSHDSACASA-N 1 0 223.316 1.517 10 0 BDAERO COc1ccc(C[NH3+])nc1C(F)(F)F ZINC000079066874 175096992 /nfs/dbraw/zinc/09/69/92/175096992.db2.gz YJVWSABLNRUKAC-UHFFFAOYSA-N 1 0 206.167 1.568 10 0 BDAERO COc1ccc(C[NH3+])c2cc(C(F)(F)F)nn21 ZINC000096028705 175097247 /nfs/dbraw/zinc/09/72/47/175097247.db2.gz IWYQXXHDLHDVFY-UHFFFAOYSA-N 1 0 245.204 1.820 10 0 BDAERO COc1ccc(C[NH3+])cc1Cn1ccnc1 ZINC000016942088 175097745 /nfs/dbraw/zinc/09/77/45/175097745.db2.gz UTUZVXLGYWXUDH-UHFFFAOYSA-N 1 0 217.272 1.399 10 0 BDAERO COc1ccc(CN2CC[NH2+]CC[C@H]2C)cc1 ZINC000071544636 175100596 /nfs/dbraw/zinc/10/05/96/175100596.db2.gz XWQCBDNWFDJVSQ-GFCCVEGCSA-N 1 0 234.343 1.879 10 0 BDAERO COc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000107933690 175102238 /nfs/dbraw/zinc/10/22/38/175102238.db2.gz LDWKWIWINRMZLC-ZDUSSCGKSA-N 1 0 235.327 1.900 10 0 BDAERO COc1ccc(COC(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000104222026 175113049 /nfs/dbraw/zinc/11/30/49/175113049.db2.gz VGTNJEFGZREDNQ-GWCFXTLKSA-N 1 0 249.310 1.594 10 0 BDAERO COc1ccc(C[C@@H]([NH3+])CN(C)C)cc1F ZINC000071532905 175115898 /nfs/dbraw/zinc/11/58/98/175115898.db2.gz KHTHCHXVTJDMOY-SNVBAGLBSA-N 1 0 226.295 1.266 10 0 BDAERO COc1ccc(F)cc1CNCC[NH+](C)C ZINC000057517399 175129894 /nfs/dbraw/zinc/12/98/94/175129894.db2.gz KQNBIUFYTCPJLY-UHFFFAOYSA-N 1 0 226.295 1.486 10 0 BDAERO COc1ccc(F)cc1NC(=O)[C@@H](C)[NH3+] ZINC000083930588 175130915 /nfs/dbraw/zinc/13/09/15/175130915.db2.gz ZXYUPYDFPKRXKV-ZCFIWIBFSA-N 1 0 212.224 1.120 10 0 BDAERO COc1ccc(F)cc1[C@@H]1C[NH2+]CCN1 ZINC000041224822 175133581 /nfs/dbraw/zinc/13/35/81/175133581.db2.gz JLKPVVPNWWHAAG-JTQLQIEISA-N 1 0 210.252 1.068 10 0 BDAERO COc1ccc(F)cc1[C@H](O)C[NH2+]C(C)C ZINC000049820794 175134014 /nfs/dbraw/zinc/13/40/14/175134014.db2.gz JEXSLEZLBYHFHW-LLVKDONJSA-N 1 0 227.279 1.866 10 0 BDAERO COc1ccc(N2CC[C@H]([NH3+])C2=O)cc1C ZINC000049660064 175139606 /nfs/dbraw/zinc/13/96/06/175139606.db2.gz ZGCYJJJNMBALEA-JTQLQIEISA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(N2CC[C@@]3(CCC[N@@H+]3C)C2)nn1 ZINC000090548205 175139660 /nfs/dbraw/zinc/13/96/60/175139660.db2.gz RBJGQPHCFSPHQY-ZDUSSCGKSA-N 1 0 248.330 1.160 10 0 BDAERO COc1ccc(NCC[NH3+])cc1Br ZINC000082609869 175150908 /nfs/dbraw/zinc/15/09/08/175150908.db2.gz WGSNXXKOIXARAS-UHFFFAOYSA-N 1 0 245.120 1.828 10 0 BDAERO COc1ccc(N[C@H]2CCC[NH2+]C2)cn1 ZINC000043323654 175155447 /nfs/dbraw/zinc/15/54/47/175155447.db2.gz OQQHWZYJALLASQ-VIFPVBQESA-N 1 0 207.277 1.254 10 0 BDAERO COc1ccc(OC)c(-c2c[nH+]c(N)n2C)c1 ZINC000022130286 175163410 /nfs/dbraw/zinc/16/34/10/175163410.db2.gz NBTVCWQGYSTGMV-UHFFFAOYSA-N 1 0 233.271 1.687 10 0 BDAERO COc1ccc(OC)c(OCCC[NH3+])c1 ZINC000107284518 175166947 /nfs/dbraw/zinc/16/69/47/175166947.db2.gz RTIJJXKIXUXPHM-UHFFFAOYSA-N 1 0 211.261 1.431 10 0 BDAERO COc1ccc(OC)c(NC2=[NH+]CCN2)c1 ZINC000039203739 175167110 /nfs/dbraw/zinc/16/71/10/175167110.db2.gz SMCXCISRDRUABG-UHFFFAOYSA-N 1 0 221.260 1.075 10 0 BDAERO COc1ccc(OC)c([C@@](O)(C[NH3+])C2CC2)c1 ZINC000049828759 175167561 /nfs/dbraw/zinc/16/75/61/175167561.db2.gz ZUTYZWKDCSPNAS-CYBMUJFWSA-N 1 0 237.299 1.260 10 0 BDAERO COc1ccc(OC)c([C@@]2(C)C[C@@H]2C[NH3+])c1 ZINC000054588161 175168264 /nfs/dbraw/zinc/16/82/64/175168264.db2.gz VHOPNHDLQFRVAF-RNCFNFMXSA-N 1 0 221.300 1.940 10 0 BDAERO COc1ccc(OC)c([C@H](O)[C@H]2CCC[NH2+]2)c1 ZINC000033466034 175169173 /nfs/dbraw/zinc/16/91/73/175169173.db2.gz HMRCSDPLBKIIFV-YPMHNXCESA-N 1 0 237.299 1.489 10 0 BDAERO COc1ccc(OC)c2c1C[NH2+][C@H](C)C2 ZINC000028429911 175170327 /nfs/dbraw/zinc/17/03/27/175170327.db2.gz SEFDKSVVEYYJTG-MRVPVSSYSA-N 1 0 207.273 1.738 10 0 BDAERO COc1ccc(OC)c2c1C[NH2+][C@@H](C)C2 ZINC000028429914 175170683 /nfs/dbraw/zinc/17/06/83/175170683.db2.gz SEFDKSVVEYYJTG-QMMMGPOBSA-N 1 0 207.273 1.738 10 0 BDAERO COc1ccc(OC)c2c1C[C@H]1[C@@H]([NH3+])[C@@H]21 ZINC000029221680 175170697 /nfs/dbraw/zinc/17/06/97/175170697.db2.gz JZCLEJOFDDWFDL-NZXMKCKXSA-N 1 0 205.257 1.301 10 0 BDAERO COc1ccc(OC)c2nc(C[NH3+])ccc12 ZINC000062608510 175171423 /nfs/dbraw/zinc/17/14/23/175171423.db2.gz PYYLDEUDUGVPTP-UHFFFAOYSA-N 1 0 218.256 1.711 10 0 BDAERO COc1ccc([C@@H](C[NH3+])OC)cc1Cl ZINC000049815913 175178770 /nfs/dbraw/zinc/17/87/70/175178770.db2.gz VKMMJWHFJDTCEB-SNVBAGLBSA-N 1 0 215.680 1.995 10 0 BDAERO COc1ccc([C@@H](O)[C@@H](C)[NH3+])c(OC)c1 ZINC000001998691 175181314 /nfs/dbraw/zinc/18/13/14/175181314.db2.gz ZWYOPUOIHUHDFO-HQJQHLMTSA-N 1 0 211.261 1.084 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CO2)c(Cl)c1 ZINC000082533885 175183518 /nfs/dbraw/zinc/18/35/18/175183518.db2.gz AHYZSBMOWUOLOT-JTQLQIEISA-N 1 0 213.664 1.967 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CCO2)cc1F ZINC000037405142 175183915 /nfs/dbraw/zinc/18/39/15/175183915.db2.gz ZXGAILBTOGPLLA-NSHDSACASA-N 1 0 211.236 1.495 10 0 BDAERO COc1ccc([C@@H]2OC[C@@H](C[NH3+])O2)cc1OC ZINC000049829549 175186395 /nfs/dbraw/zinc/18/63/95/175186395.db2.gz WYUPNGAMQASSGN-BXKDBHETSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc([C@@](C)(O)C[NH2+]C2CC2)cc1 ZINC000032013924 175186661 /nfs/dbraw/zinc/18/66/61/175186661.db2.gz GHHPZINVYUPYHJ-ZDUSSCGKSA-N 1 0 221.300 1.655 10 0 BDAERO COc1ccc([C@@]2(C)OC[C@H](C[NH3+])O2)cc1F ZINC000049830455 175186873 /nfs/dbraw/zinc/18/68/73/175186873.db2.gz YXKFTWOLYVIKBP-CABZTGNLSA-N 1 0 241.262 1.381 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H]2CCCO2)cc1 ZINC000019420747 175191719 /nfs/dbraw/zinc/19/17/19/175191719.db2.gz SBYQPDIFYBYBGG-RYUDHWBXSA-N 1 0 207.273 1.874 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H](C)S(C)(=O)=O)cc1 ZINC000054930026 175191741 /nfs/dbraw/zinc/19/17/41/175191741.db2.gz AHSGYIOTXZDVIZ-LDYMZIIASA-N 1 0 243.328 1.128 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@H](C)N(C)C)cc1 ZINC000022563775 175192333 /nfs/dbraw/zinc/19/23/33/175192333.db2.gz OLPNOBWVSFXTEO-JOYOIKCWSA-N 1 0 208.305 1.645 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@H]2COCCO2)cc1F ZINC000055299199 175192762 /nfs/dbraw/zinc/19/27/62/175192762.db2.gz GXYLSECWXSTGJD-NEPJUHHUSA-N 1 0 241.262 1.250 10 0 BDAERO COc1ccc([C@H](O)C[NH2+]C(C)C)cc1F ZINC000049820790 175193772 /nfs/dbraw/zinc/19/37/72/175193772.db2.gz FMRRSZZBBHVVIU-LLVKDONJSA-N 1 0 227.279 1.866 10 0 BDAERO COc1ccc([C@H]2C[NH2+][C@@H](C)CO2)cc1 ZINC000032011701 175196441 /nfs/dbraw/zinc/19/64/41/175196441.db2.gz CFKIYIHDMWNNLB-JOYOIKCWSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@H]2OC[C@@H](C[NH3+])O2)cc1OC ZINC000049829550 175199337 /nfs/dbraw/zinc/19/93/37/175199337.db2.gz WYUPNGAMQASSGN-SKDRFNHKSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc([C@]2(C)C[C@H]2C[NH3+])c(OC)c1 ZINC000054588049 175200457 /nfs/dbraw/zinc/20/04/57/175200457.db2.gz MKASIMAUQIDLMH-TVQRCGJNSA-N 1 0 221.300 1.940 10 0 BDAERO COc1ccc2c(c1)CC[C@H]([N@H+](C)CCO)C2 ZINC000029556567 175209736 /nfs/dbraw/zinc/20/97/36/175209736.db2.gz HGKHVESTVSKACG-ZDUSSCGKSA-N 1 0 235.327 1.477 10 0 BDAERO COc1ccc2c(c1)CC[NH2+][C@H]2c1cnn(C)c1 ZINC000083665996 175210014 /nfs/dbraw/zinc/21/00/14/175210014.db2.gz IHWGFGFAGHEAGU-AWEZNQCLSA-N 1 0 243.310 1.664 10 0 BDAERO COc1ccc2c(c1)C[C@@H](C1=[NH+]CCN1)O2 ZINC000027647265 175211023 /nfs/dbraw/zinc/21/10/23/175211023.db2.gz PLZFIFFVIZCKHL-NSHDSACASA-N 1 0 218.256 1.000 10 0 BDAERO COc1ccc2c(c1)O[C@@H](C1=[NH+]CCN1)C2 ZINC000027651531 175213370 /nfs/dbraw/zinc/21/33/70/175213370.db2.gz VUCUPTGHZRNLBZ-LLVKDONJSA-N 1 0 218.256 1.000 10 0 BDAERO COc1ccc2c(c1C[C@@H](C)[NH3+])OCO2 ZINC000027748125 175221188 /nfs/dbraw/zinc/22/11/88/175221188.db2.gz CMLBFORYSUACKE-SSDOTTSWSA-N 1 0 209.245 1.314 10 0 BDAERO COc1cccc(C(=O)N(CC[NH3+])C(C)C)c1 ZINC000020183225 175243921 /nfs/dbraw/zinc/24/39/21/175243921.db2.gz YYDIWUGVMWCXOM-UHFFFAOYSA-N 1 0 236.315 1.505 10 0 BDAERO COc1cccc(C(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000082379661 175247452 /nfs/dbraw/zinc/24/74/52/175247452.db2.gz QOVKBXMIFCSVHZ-SNVBAGLBSA-N 1 0 205.257 1.487 10 0 BDAERO COc1cccc(C[N@@H+]2CC[C@H](CCO)C2)c1 ZINC000107936386 175259553 /nfs/dbraw/zinc/25/95/53/175259553.db2.gz RQKHZOSEBGVFQN-GFCCVEGCSA-N 1 0 235.327 1.900 10 0 BDAERO COc1cccc(C[NH2+]CCc2nc(C)no2)c1 ZINC000105470216 175264398 /nfs/dbraw/zinc/26/43/98/175264398.db2.gz ZJPHOEFJBSONNJ-UHFFFAOYSA-N 1 0 247.298 1.719 10 0 BDAERO COc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C)n1 ZINC000121010385 175266564 /nfs/dbraw/zinc/26/65/64/175266564.db2.gz ZGQFNZRSKAMPRY-MWLCHTKSSA-N 1 0 222.288 1.357 10 0 BDAERO COc1cccc(C[C@@H]2CCC[NH2+]2)c1OC ZINC000096912204 175271678 /nfs/dbraw/zinc/27/16/78/175271678.db2.gz JKLSOJTZMSPSMI-NSHDSACASA-N 1 0 221.300 1.998 10 0 BDAERO COc1cccc(C[C@@H]([NH3+])[C@H]2CCOC2)c1 ZINC000048627564 175271910 /nfs/dbraw/zinc/27/19/10/175271910.db2.gz STFZLVALMOZVEU-WCQYABFASA-N 1 0 221.300 1.602 10 0 BDAERO COc1cccc(C[C@H](O)[C@@H]2CCC[NH2+]C2)c1 ZINC000041266105 175272775 /nfs/dbraw/zinc/27/27/75/175272775.db2.gz YTLMKGFRGUXKGL-OCCSQVGLSA-N 1 0 235.327 1.598 10 0 BDAERO COc1cccc(Cn2ccnc2C[C@H](C)[NH3+])c1 ZINC000062802805 175273850 /nfs/dbraw/zinc/27/38/50/175273850.db2.gz FGPNCHFEXKPOQL-NSHDSACASA-N 1 0 245.326 1.830 10 0 BDAERO COc1cccc(N(C)C(=O)[C@H](C)[NH3+])c1 ZINC000049972351 175275242 /nfs/dbraw/zinc/27/52/42/175275242.db2.gz XSOFINXVPGZLFO-QMMMGPOBSA-N 1 0 208.261 1.005 10 0 BDAERO COc1cccc(N(C)C(=O)[C@H]2CCC[NH2+]2)c1 ZINC000077369187 175275252 /nfs/dbraw/zinc/27/52/52/175275252.db2.gz WLHCZEDZPFXCGQ-GFCCVEGCSA-N 1 0 234.299 1.410 10 0 BDAERO COc1cccc(NC(=O)N[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000063174365 175276884 /nfs/dbraw/zinc/27/68/84/175276884.db2.gz LMBZCFANOBIDGD-VXGBXAGGSA-N 1 0 249.314 1.697 10 0 BDAERO COc1cccc(N[C@@H]2CC[N@H+](C)C2)c1 ZINC000061984686 175279798 /nfs/dbraw/zinc/27/97/98/175279798.db2.gz XDDMTVHDOOEAEH-LLVKDONJSA-N 1 0 206.289 1.811 10 0 BDAERO COc1cccc(OC)c1OCCC(N)=[NH2+] ZINC000019512710 175281568 /nfs/dbraw/zinc/28/15/68/175281568.db2.gz GMMFAUKOTSNCBB-UHFFFAOYSA-N 1 0 224.260 1.409 10 0 BDAERO COc1cccc(O[C@@H]2COCC[C@H]2[NH3+])c1 ZINC000036305710 175283806 /nfs/dbraw/zinc/28/38/06/175283806.db2.gz OOPUWYJAWZZNST-VXGBXAGGSA-N 1 0 223.272 1.190 10 0 BDAERO COc1cccc([C@@H](C[NH3+])n2nc(C)nc2C)c1 ZINC000043028982 175287361 /nfs/dbraw/zinc/28/73/61/175287361.db2.gz KTRYELAXYOYNED-CYBMUJFWSA-N 1 0 246.314 1.452 10 0 BDAERO COc1cccc([C@@H]([NH2+]CC(C)C)C(N)=O)c1 ZINC000037946205 175289257 /nfs/dbraw/zinc/28/92/57/175289257.db2.gz UEMGKHBORXPRPM-GFCCVEGCSA-N 1 0 236.315 1.467 10 0 BDAERO COc1cccc([C@@H]([C@H](C)[NH3+])N(C)CCO)c1 ZINC000043027246 175290196 /nfs/dbraw/zinc/29/01/96/175290196.db2.gz KSQDGZNVHWYBAO-GXFFZTMASA-N 1 0 238.331 1.008 10 0 BDAERO COc1cccc([C@H](CC[NH3+])C(=O)NC2CC2)c1 ZINC000076633740 175294420 /nfs/dbraw/zinc/29/44/20/175294420.db2.gz NMGGNWDINOPYHB-ZDUSSCGKSA-N 1 0 248.326 1.406 10 0 BDAERO COc1cccc2c1NC(=O)[C@H]2CC[NH3+] ZINC000071483492 175304265 /nfs/dbraw/zinc/30/42/65/175304265.db2.gz RGUZFROGAYVJQT-QMMMGPOBSA-N 1 0 206.245 1.080 10 0 BDAERO COc1cccc2c1[S@](=O)CCC[C@@H]2[NH3+] ZINC000041031235 175305520 /nfs/dbraw/zinc/30/55/20/175305520.db2.gz GXKQAVDLCYLXGH-VFZGTOFNSA-N 1 0 225.313 1.596 10 0 BDAERO COc1cccc2nc(CC[NH3+])sc21 ZINC000082376873 175307397 /nfs/dbraw/zinc/30/73/97/175307397.db2.gz IPRUDPCOYNZXQO-UHFFFAOYSA-N 1 0 208.286 1.806 10 0 BDAERO COc1ccccc1-c1nc([C@@H](C)[NH3+])no1 ZINC000041052248 175310537 /nfs/dbraw/zinc/31/05/37/175310537.db2.gz ZENOTNDIDWJWML-SSDOTTSWSA-N 1 0 219.244 1.765 10 0 BDAERO COc1ccccc1-n1nc(C)c(C[NH3+])c1C ZINC000041257489 175312578 /nfs/dbraw/zinc/31/25/78/175312578.db2.gz YFQKNFCHCUGGTJ-UHFFFAOYSA-N 1 0 231.299 1.956 10 0 BDAERO COc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049317 175318792 /nfs/dbraw/zinc/31/87/92/175318792.db2.gz OJSBKXGLPZYVNQ-RYUDHWBXSA-N 1 0 248.326 1.695 10 0 BDAERO COc1ccccc1CC[C@H](O)CC[NH3+] ZINC000041218539 175323348 /nfs/dbraw/zinc/32/33/48/175323348.db2.gz CRNIDYHOXUHCAQ-NSHDSACASA-N 1 0 209.289 1.338 10 0 BDAERO COc1ccccc1CN(C)C(=[NH2+])NC1CC1 ZINC000052038767 175324889 /nfs/dbraw/zinc/32/48/89/175324889.db2.gz VLRZLSUHZKLYRO-UHFFFAOYSA-N 1 0 233.315 1.814 10 0 BDAERO COc1ccccc1C[C@H]1C[NH2+]CC[C@@H]1O ZINC000071522976 175334165 /nfs/dbraw/zinc/33/41/65/175334165.db2.gz OFRGYTOBYRAXTE-RYUDHWBXSA-N 1 0 221.300 1.208 10 0 BDAERO COc1ccccc1N[C@@]1(CO)CC[N@H+](C)C1 ZINC000061992163 175338452 /nfs/dbraw/zinc/33/84/52/175338452.db2.gz OBYVRGZQHUGEQV-ZDUSSCGKSA-N 1 0 236.315 1.174 10 0 BDAERO COc1ccccc1OC[C@H]1CCC[NH2+]1 ZINC000038585881 175341857 /nfs/dbraw/zinc/34/18/57/175341857.db2.gz RKGKCHBDKRVJAV-SNVBAGLBSA-N 1 0 207.273 1.826 10 0 BDAERO COc1ccccc1O[C@@H]1CCC[C@@H]1[NH3+] ZINC000022563629 175343036 /nfs/dbraw/zinc/34/30/36/175343036.db2.gz PHWWMBAWCPINOL-VHSXEESVSA-N 1 0 207.273 1.954 10 0 BDAERO COc1ccccc1[C@@H](C)N(C)C(=O)CC[NH3+] ZINC000037808300 175344527 /nfs/dbraw/zinc/34/45/27/175344527.db2.gz VCYKSMBXNHIHHN-SNVBAGLBSA-N 1 0 236.315 1.563 10 0 BDAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)C ZINC000043096926 175348602 /nfs/dbraw/zinc/34/86/02/175348602.db2.gz FFTFVDJCTSTFSW-JOYOIKCWSA-N 1 0 208.305 1.645 10 0 BDAERO COc1ccccc1[C@@](C)([NH2+]CC1CC1)C(N)=O ZINC000037952145 175350245 /nfs/dbraw/zinc/35/02/45/175350245.db2.gz PQMSBSUCPBFOTA-CQSZACIVSA-N 1 0 248.326 1.395 10 0 BDAERO COc1ccccc1[C@](C)(O)[C@@H]1CCC[NH2+]C1 ZINC000071545731 175356044 /nfs/dbraw/zinc/35/60/44/175356044.db2.gz MLFVAKKWWUASBD-BXUZGUMPSA-N 1 0 235.327 1.902 10 0 BDAERO COc1nc2ccc(CC[NH3+])cc2s1 ZINC000045236602 175397105 /nfs/dbraw/zinc/39/71/05/175397105.db2.gz WTYVBLZNKUNKLW-UHFFFAOYSA-N 1 0 208.286 1.806 10 0 BDAERO C[C@@H](CC(N)=O)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309454020 175653151 /nfs/dbraw/zinc/65/31/51/175653151.db2.gz NENAEOILSIPVCG-MMWGEVLESA-N 1 0 228.336 1.044 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)C1(C[NH3+])CCCC1 ZINC000069666010 175654750 /nfs/dbraw/zinc/65/47/50/175654750.db2.gz LNTZMHDLSICKHB-JTQLQIEISA-N 1 0 224.348 1.810 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129253226 175655487 /nfs/dbraw/zinc/65/54/87/175655487.db2.gz BFICUORDGDRXHX-IUCAKERBSA-N 1 0 210.321 1.147 10 0 BDAERO C[C@@H](C[NH3+])CN(C)C(=O)Nc1ccc(F)cc1 ZINC000042455478 175706866 /nfs/dbraw/zinc/70/68/66/175706866.db2.gz ZVPGRHAPFJSLMF-VIFPVBQESA-N 1 0 239.294 1.884 10 0 BDAERO C[C@@H](C[NH3+])COc1ccc(F)cc1F ZINC000036678318 175708155 /nfs/dbraw/zinc/70/81/55/175708155.db2.gz QHDNRHKAXRRMQD-ZETCQYMHSA-N 1 0 201.216 1.938 10 0 BDAERO C[C@@H]([NH3+])C(=O)N(Cc1ccsc1)C1CC1 ZINC000040492090 175794687 /nfs/dbraw/zinc/79/46/87/175794687.db2.gz GEYGBINJHMYAGS-MRVPVSSYSA-N 1 0 224.329 1.586 10 0 BDAERO C[C@@H]([NH3+])Cc1cn2c(cccc2Cl)n1 ZINC000076792507 175808058 /nfs/dbraw/zinc/80/80/58/175808058.db2.gz PCBWVNPNVBENTP-SSDOTTSWSA-N 1 0 209.680 1.877 10 0 BDAERO C[C@@H]([NH3+])[C@@H](Sc1cnccn1)c1cnn(C)c1 ZINC000104351243 175809337 /nfs/dbraw/zinc/80/93/37/175809337.db2.gz CEEUTNTWCCTBRR-LDYMZIIASA-N 1 0 249.343 1.391 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccncc1)N1CCCOCC1 ZINC000061914597 175814025 /nfs/dbraw/zinc/81/40/25/175814025.db2.gz MVIUUHUPECYRCH-DGCLKSJQSA-N 1 0 235.331 1.192 10 0 BDAERO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccco1 ZINC000062853855 175844417 /nfs/dbraw/zinc/84/44/17/175844417.db2.gz IYCDRUXXCCAZIU-MFKMUULPSA-N 1 0 236.315 1.847 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000035733709 175844732 /nfs/dbraw/zinc/84/47/32/175844732.db2.gz MOVFQXCGYRGRLS-IXOXFDKPSA-N 1 0 236.359 1.822 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1cccc(O)c1 ZINC000037005080 175844952 /nfs/dbraw/zinc/84/49/52/175844952.db2.gz WCMHLXJDROUGET-BXKDBHETSA-N 1 0 234.299 1.321 10 0 BDAERO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccncc1 ZINC000035124959 175863595 /nfs/dbraw/zinc/86/35/95/175863595.db2.gz HSPGSSLPCMTWGI-LLVKDONJSA-N 1 0 233.315 1.355 10 0 BDAERO C[C@@H](O)COc1ccc(C[NH3+])cc1Cl ZINC000042303291 175984955 /nfs/dbraw/zinc/98/49/55/175984955.db2.gz SQMYYWRPSLFEGC-SSDOTTSWSA-N 1 0 215.680 1.558 10 0 BDAERO C[C@@H](O)c1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000049547246 176000017 /nfs/dbraw/zinc/00/00/17/176000017.db2.gz SPWVZPKJOYZNQA-GHMZBOCLSA-N 1 0 248.326 1.678 10 0 BDAERO C[C@@H](OC[C@@H](O)C[NH2+]C(C)(C)C)C1CC1 ZINC000028757621 176002450 /nfs/dbraw/zinc/00/24/50/176002450.db2.gz QKONUFFBHJDHPZ-KOLCDFICSA-N 1 0 215.337 1.551 10 0 BDAERO C[C@@H](SCC[NH3+])C(=O)N1CCCCC1 ZINC000020422269 176008328 /nfs/dbraw/zinc/00/83/28/176008328.db2.gz SDKJTJSUBBAMAL-SECBINFHSA-N 1 0 216.350 1.079 10 0 BDAERO C[C@@H]([C@H]1CCCC[NH2+]1)N1C(=O)CCCC1=O ZINC000035691820 176012098 /nfs/dbraw/zinc/01/20/98/176012098.db2.gz HRAXWYMKEQADEJ-VHSXEESVSA-N 1 0 224.304 1.056 10 0 BDAERO C[C@@H](c1ccc(C[NH3+])cc1)N1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000037748004 176014160 /nfs/dbraw/zinc/01/41/60/176014160.db2.gz IKICHZQRLILZII-KPXOXKRLSA-N 1 0 244.294 1.211 10 0 BDAERO C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000100248598 176017113 /nfs/dbraw/zinc/01/71/13/176017113.db2.gz ZYVAJPXYQVUHSA-WDEREUQCSA-N 1 0 208.305 1.780 10 0 BDAERO C[C@@H](c1cccc(N)c1)[NH+]1CCC(O)CC1 ZINC000040908055 176018149 /nfs/dbraw/zinc/01/81/49/176018149.db2.gz PQWYCUZINKGJAI-JTQLQIEISA-N 1 0 220.316 1.787 10 0 BDAERO C[C@@H](c1ccccc1)N1C[C@@H](C[NH3+])CC1=O ZINC000019669316 176021774 /nfs/dbraw/zinc/02/17/74/176021774.db2.gz MQWBTGPUOJDPOY-WDEREUQCSA-N 1 0 218.300 1.555 10 0 BDAERO C[C@@H](c1ccccc1)[C@H](C[NH3+])N1CCOCC1 ZINC000040240710 176022756 /nfs/dbraw/zinc/02/27/56/176022756.db2.gz JTYOBIFOTRXMRY-JSGCOSHPSA-N 1 0 234.343 1.450 10 0 BDAERO C[C@@H](c1cccnc1)N1CCC[NH2+]CCC1 ZINC000049666659 176029513 /nfs/dbraw/zinc/02/95/13/176029513.db2.gz OIXTVCCEEFVOMY-LBPRGKRZSA-N 1 0 219.332 1.828 10 0 BDAERO C[C@@H](c1ccncc1)N(C)C(=O)C(C)(C)[NH3+] ZINC000040924082 176034043 /nfs/dbraw/zinc/03/40/43/176034043.db2.gz HCNBOQAOIAFLQT-VIFPVBQESA-N 1 0 221.304 1.338 10 0 BDAERO C[C@@H](c1nncn1C)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000050422281 176040176 /nfs/dbraw/zinc/04/01/76/176040176.db2.gz AHRNNBBDVWJHAX-ONGXEEELSA-N 1 0 245.330 1.562 10 0 BDAERO C[C@@H](c1nncn1C)N1Cc2ccccc2C1=[NH2+] ZINC000050419695 176040748 /nfs/dbraw/zinc/04/07/48/176040748.db2.gz YJJGLELWVHMMEJ-VIFPVBQESA-N 1 0 241.298 1.717 10 0 BDAERO C[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000053924615 176061057 /nfs/dbraw/zinc/06/10/57/176061057.db2.gz JELPCSSXLCQPIV-FRRDWIJNSA-N 1 0 239.359 1.696 10 0 BDAERO C[C@@H]1CCCC[C@@]1([NH2+]C[C@@H]1CCCO1)C(N)=O ZINC000037942932 176083860 /nfs/dbraw/zinc/08/38/60/176083860.db2.gz NGMIDCRKFVQZQO-MDZLAQPJSA-N 1 0 240.347 1.189 10 0 BDAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)N1CC[NH2+]CC1 ZINC000042607018 176085476 /nfs/dbraw/zinc/08/54/76/176085476.db2.gz JZMNGTZNTMBRIS-VXGBXAGGSA-N 1 0 239.363 1.522 10 0 BDAERO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H](CN)[C@@H]1CCOC1 ZINC000042606831 176086583 /nfs/dbraw/zinc/08/65/83/176086583.db2.gz UGBOBJWYAZSABV-SYQHCUMBSA-N 1 0 240.391 1.861 10 0 BDAERO C[C@@H]1CCCC[C@]1([NH3+])C(=O)OC1CCC1 ZINC000050929369 176090251 /nfs/dbraw/zinc/09/02/51/176090251.db2.gz OMWBSUOSERHSRN-BXKDBHETSA-N 1 0 211.305 1.990 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@](C)([NH3+])C2CC2)C1 ZINC000037478729 176094645 /nfs/dbraw/zinc/09/46/45/176094645.db2.gz BCQSFQUNBFWNAB-BXKDBHETSA-N 1 0 210.321 1.372 10 0 BDAERO C[C@@H]1CCCN(CC(F)(F)F)[C@@H]1C[NH3+] ZINC000069726829 176097178 /nfs/dbraw/zinc/09/71/78/176097178.db2.gz MKOOOBJUHJNWLW-HTQZYQBOSA-N 1 0 210.243 1.608 10 0 BDAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccncc2)C1 ZINC000032021363 176103336 /nfs/dbraw/zinc/10/33/36/176103336.db2.gz MJAYBHLTRCGYOP-YPMHNXCESA-N 1 0 219.332 1.813 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1[NH3+] ZINC000055124404 176112470 /nfs/dbraw/zinc/11/24/70/176112470.db2.gz SAERYEFCZMYSHN-WRWGMCAJSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)NCc2ccccc2)[NH2+]1 ZINC000019506871 176113334 /nfs/dbraw/zinc/11/33/34/176113334.db2.gz HLFHOFZGFPGFBT-YPMHNXCESA-N 1 0 232.327 1.833 10 0 BDAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCC1CS(=O)(=O)C1 ZINC000336426939 176115858 /nfs/dbraw/zinc/11/58/58/176115858.db2.gz ZFRGOEZUGYMMSS-GHMZBOCLSA-N 1 0 245.388 1.684 10 0 BDAERO C[C@@H]1CCC[C@@H](N(C)c2ccc(C[NH3+])nn2)C1 ZINC000051397479 176121102 /nfs/dbraw/zinc/12/11/02/176121102.db2.gz SCNXYXHOFPGCGW-ZYHUDNBSSA-N 1 0 234.347 1.950 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)N(C)C2CCCC2)[NH2+]1 ZINC000037092985 176134800 /nfs/dbraw/zinc/13/48/00/176134800.db2.gz WTBJNXXCMUYLCR-ZYHUDNBSSA-N 1 0 224.348 1.918 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000336675421 176144476 /nfs/dbraw/zinc/14/44/76/176144476.db2.gz BAOGHEVUDUICQI-WISYIIOYSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]1CCC[C@](C[NH3+])(N2CCOCC2)C1 ZINC000019511841 176151263 /nfs/dbraw/zinc/15/12/63/176151263.db2.gz ZGOOFFOWCCIXBX-NEPJUHHUSA-N 1 0 212.337 1.226 10 0 BDAERO C[C@@H]1CCCc2sc([C@@H](O)C[NH3+])nc21 ZINC000083347082 176153934 /nfs/dbraw/zinc/15/39/34/176153934.db2.gz QKZXAYYOKYFOJV-RQJHMYQMSA-N 1 0 212.318 1.575 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000235318604 176161475 /nfs/dbraw/zinc/16/14/75/176161475.db2.gz DAVMQZRPMBCUGB-IJLUTSLNSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@@H]1CCN(CCc2ccncc2)CC[NH2+]1 ZINC000049662228 176169838 /nfs/dbraw/zinc/16/98/38/176169838.db2.gz XQSNKBUOPSMMPJ-GFCCVEGCSA-N 1 0 219.332 1.308 10 0 BDAERO C[C@@H]1CCN(Cc2ccccn2)CCC[NH2+]1 ZINC000049666507 176176298 /nfs/dbraw/zinc/17/62/98/176176298.db2.gz OZDYGFJBAUHIRX-GFCCVEGCSA-N 1 0 219.332 1.656 10 0 BDAERO C[C@@H]1CN(C(=O)C[NH2+]C2CCCC2)CCCO1 ZINC000061920382 176247326 /nfs/dbraw/zinc/24/73/26/176247326.db2.gz LNTMIQUOADHRAM-LLVKDONJSA-N 1 0 240.347 1.156 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccn2C2CC2)C[C@@H](C)[NH2+]1 ZINC000070076427 176262993 /nfs/dbraw/zinc/26/29/93/176262993.db2.gz KNMQSVJQDXBKLP-GHMZBOCLSA-N 1 0 247.342 1.645 10 0 BDAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CO ZINC000309750805 176274071 /nfs/dbraw/zinc/27/40/71/176274071.db2.gz GQTDRISCAZHIJC-NDBYEHHHSA-N 1 0 226.364 1.077 10 0 BDAERO C[C@@H]1CN(CC2(C[NH3+])CCCCC2)CCO1 ZINC000051210525 176285054 /nfs/dbraw/zinc/28/50/54/176285054.db2.gz SRNMAUPSPJSRHM-GFCCVEGCSA-N 1 0 226.364 1.616 10 0 BDAERO C[C@@H]1C[NH+](CCc2cccnc2)C[C@@H](C)O1 ZINC000172069804 176294527 /nfs/dbraw/zinc/29/45/27/176294527.db2.gz ZSWNLGHMWPKATA-VXGBXAGGSA-N 1 0 220.316 1.733 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2N)CCCO1 ZINC000061912958 176308037 /nfs/dbraw/zinc/30/80/37/176308037.db2.gz LOJQUARHOXWFNQ-LLVKDONJSA-N 1 0 220.316 1.880 10 0 BDAERO C[C@@H]1CN(Cc2csc(C[NH3+])n2)CCCO1 ZINC000061935609 176310291 /nfs/dbraw/zinc/31/02/91/176310291.db2.gz ISMCFDVPNKYTES-SECBINFHSA-N 1 0 241.360 1.213 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000019400102 176314980 /nfs/dbraw/zinc/31/49/80/176314980.db2.gz XJQVLRFZQAIJMF-BZPMIXESSA-N 1 0 234.343 1.796 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cscn1 ZINC000082699272 176322495 /nfs/dbraw/zinc/32/24/95/176322495.db2.gz NVAKNJHCQOUJMA-ZYHUDNBSSA-N 1 0 237.372 1.812 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCc1ccccn1 ZINC000247315991 176324246 /nfs/dbraw/zinc/32/42/46/176324246.db2.gz OIZOOTMMVCQNAW-HIFRSBDPSA-N 1 0 245.370 1.793 10 0 BDAERO C[C@@H]1COCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000307000227 176344569 /nfs/dbraw/zinc/34/45/69/176344569.db2.gz HLSUKMKXEOYSCO-VXNVDRBHSA-N 1 0 205.248 1.799 10 0 BDAERO C[C@H](C[NH+]1CCCCC1)NC1=[NH+][C@H](C)CS1 ZINC000049502358 176349234 /nfs/dbraw/zinc/34/92/34/176349234.db2.gz ZNOLHQBULNBZNM-GHMZBOCLSA-N 1 0 241.404 1.942 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000346984177 176382114 /nfs/dbraw/zinc/38/21/14/176382114.db2.gz OHRMJIJTSSVIQP-RAIGVLPGSA-N 1 0 217.312 1.781 10 0 BDAERO C[C@@H]1C[C@@H]1C[N@H+](C)CC(=O)Nc1ccccc1N ZINC000104412018 176392044 /nfs/dbraw/zinc/39/20/44/176392044.db2.gz HHAZJVLYSYMAIY-GHMZBOCLSA-N 1 0 247.342 1.795 10 0 BDAERO C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000055124370 176411060 /nfs/dbraw/zinc/41/10/60/176411060.db2.gz QZMDWFRAIXOBPU-WYUUTHIRSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000052287733 176446006 /nfs/dbraw/zinc/44/60/06/176446006.db2.gz QLUFQCAWBMNFAC-LDYMZIIASA-N 1 0 222.263 1.762 10 0 BDAERO C[C@@H]1C[C@](O)(C[NH3+])c2cc(Cl)ccc21 ZINC000041225978 176449295 /nfs/dbraw/zinc/44/92/95/176449295.db2.gz ZUQQMBWFYZRWNP-HQJQHLMTSA-N 1 0 211.692 1.994 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000282249428 176455692 /nfs/dbraw/zinc/45/56/92/176455692.db2.gz GMUINNZNIFDQDR-BPNCWPANSA-N 1 0 244.338 1.931 10 0 BDAERO C[C@@]([NH3+])(C(=O)Nc1ccccc1)C1CC1 ZINC000037478683 176510822 /nfs/dbraw/zinc/51/08/22/176510822.db2.gz FJJYAEPEYNKJEN-LBPRGKRZSA-N 1 0 204.273 1.753 10 0 BDAERO C[C@@](O)(C[NH3+])Cc1c(F)cccc1Cl ZINC000019684401 176516685 /nfs/dbraw/zinc/51/66/85/176516685.db2.gz GKJCSJQICOTGDG-JTQLQIEISA-N 1 0 217.671 1.731 10 0 BDAERO CC(C)Oc1cncc(N2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000232693219 487634341 /nfs/dbraw/zinc/63/43/41/487634341.db2.gz DVZTWZRCWFLJDP-UWVGGRQHSA-N 1 0 236.319 1.047 10 0 BDAERO C[C@@H](NC(=O)C[C@H](C)C[NH3+])c1ccccc1 ZINC000076610172 176657578 /nfs/dbraw/zinc/65/75/78/176657578.db2.gz LCZVLFJCPUSWLZ-WDEREUQCSA-N 1 0 220.316 1.849 10 0 BDAERO C[C@H]([NH3+])[C@H](O)Cc1cccc(Br)c1 ZINC000096985927 176769969 /nfs/dbraw/zinc/76/99/69/176769969.db2.gz SEWGHWTYHOOGIV-OIBJUYFYSA-N 1 0 244.132 1.700 10 0 BDAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000052272627 176930415 /nfs/dbraw/zinc/93/04/15/176930415.db2.gz QPFISSRNQFFJNH-FYBVGQRMSA-N 1 0 231.299 1.915 10 0 BDAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000052271242 176930573 /nfs/dbraw/zinc/93/05/73/176930573.db2.gz FFZWDEDOGVYQAN-NRUUGDAUSA-N 1 0 243.314 1.721 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])c1nc2cccc(Cl)c2n1C ZINC000037443569 177006708 /nfs/dbraw/zinc/00/67/08/177006708.db2.gz MXEKQJMRWXUWMJ-IMTBSYHQSA-N 1 0 239.706 1.607 10 0 BDAERO C[C@H](O)[C@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000020374764 177013611 /nfs/dbraw/zinc/01/36/11/177013611.db2.gz KIUDOGFTMJTAJK-CDUCUWFYSA-N 1 0 225.679 1.597 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000049547243 177018211 /nfs/dbraw/zinc/01/82/11/177018211.db2.gz SPWVZPKJOYZNQA-WDEREUQCSA-N 1 0 248.326 1.678 10 0 BDAERO C[C@H](O)c1ncc(C[NH2+][C@@H]2CCO[C@H]2C)s1 ZINC000279071850 177019388 /nfs/dbraw/zinc/01/93/88/177019388.db2.gz RRRXKCIIZFLFFA-OYNCUSHFSA-N 1 0 242.344 1.463 10 0 BDAERO C[C@H](OCC1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC000051814973 177021248 /nfs/dbraw/zinc/02/12/48/177021248.db2.gz XJICQGVCMKQOAU-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO C[C@H](Oc1cccc2ncccc21)C(=[NH2+])NO ZINC000038817481 177023797 /nfs/dbraw/zinc/02/37/97/177023797.db2.gz OWGWODBMJMXVSV-QMMMGPOBSA-N 1 0 231.255 1.958 10 0 BDAERO C[C@H]([C@@H]([NH3+])c1ccccc1)n1cncn1 ZINC000023067382 177031108 /nfs/dbraw/zinc/03/11/08/177031108.db2.gz WVLMQNXXFZIMQU-MWLCHTKSSA-N 1 0 202.261 1.539 10 0 BDAERO C[C@H](c1ccsc1)N1CC[C@@H]([NH3+])C1=O ZINC000061363865 177051007 /nfs/dbraw/zinc/05/10/07/177051007.db2.gz PAEBFIGJZGRXKK-VXNVDRBHSA-N 1 0 210.302 1.369 10 0 BDAERO 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/nfs/dbraw/zinc/76/81/88/487768188.db2.gz XCFYKTKCJFNLSC-YUMQZZPRSA-N 1 0 226.299 1.716 10 0 BDAERO C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000251626722 487779761 /nfs/dbraw/zinc/77/97/61/487779761.db2.gz QXAGYNYPZZSBPT-NWBUJAPZSA-N 1 0 236.359 1.537 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H](C)[NH2+]1 ZINC000251780967 487796354 /nfs/dbraw/zinc/79/63/54/487796354.db2.gz WCZJYAPUZHAYCN-PZWNZHSQSA-N 1 0 222.332 1.241 10 0 BDAERO CC(C)c1noc(NC2CC[NH2+]CC2)n1 ZINC000107211599 487811654 /nfs/dbraw/zinc/81/16/54/487811654.db2.gz ZMOOLYFQPIWZJD-UHFFFAOYSA-N 1 0 210.281 1.357 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2cnccn2)no1 ZINC000089430923 487814577 /nfs/dbraw/zinc/81/45/77/487814577.db2.gz YMMUONIHFHOWLE-DTWKUNHWSA-N 1 0 245.286 1.369 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089449737 487816870 /nfs/dbraw/zinc/81/68/70/487816870.db2.gz VBEUDSBTTXUHHZ-KBPBESRZSA-N 1 0 246.354 1.986 10 0 BDAERO Cc1ccncc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089462404 487822470 /nfs/dbraw/zinc/82/24/70/487822470.db2.gz LRCZILGGRSVRMJ-MNOVXSKESA-N 1 0 233.315 1.704 10 0 BDAERO Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000089461647 487823928 /nfs/dbraw/zinc/82/39/28/487823928.db2.gz BKWJQTGXVMYBED-CMPLNLGQSA-N 1 0 236.315 1.579 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252687253 487829659 /nfs/dbraw/zinc/82/96/59/487829659.db2.gz LAOATURSWUGOIN-RMPHRYRLSA-N 1 0 222.332 1.371 10 0 BDAERO CCc1csc(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000252684682 487829665 /nfs/dbraw/zinc/82/96/65/487829665.db2.gz GVILWFQKNFECOI-WCBMZHEXSA-N 1 0 241.360 1.258 10 0 BDAERO C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252687916 487829787 /nfs/dbraw/zinc/82/97/87/487829787.db2.gz MPTKOXMOAKYGCC-YTWAJWBKSA-N 1 0 210.321 1.134 10 0 BDAERO [NH3+]Cc1cnn(Cc2ccccc2F)c1 ZINC000054716767 487883896 /nfs/dbraw/zinc/88/38/96/487883896.db2.gz HZURZVOIPNRERN-UHFFFAOYSA-N 1 0 205.236 1.529 10 0 BDAERO COC[C@H](C)[NH2+]CCCCCn1cccn1 ZINC000309987126 487885964 /nfs/dbraw/zinc/88/59/64/487885964.db2.gz YUWJXDOPZZMJJI-LBPRGKRZSA-N 1 0 225.336 1.678 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1cnc2ccccc2n1 ZINC000663279501 487893281 /nfs/dbraw/zinc/89/32/81/487893281.db2.gz RTKWDISMJXPPKQ-SECBINFHSA-N 1 0 216.288 1.650 10 0 BDAERO CC(C)C1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000227430481 487898695 /nfs/dbraw/zinc/89/86/95/487898695.db2.gz FYZYTFUVNCTJDU-RYUDHWBXSA-N 1 0 238.375 1.914 10 0 BDAERO CC1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000227430745 487899012 /nfs/dbraw/zinc/89/90/12/487899012.db2.gz YJOWIMWABDPVJP-ZJUUUORDSA-N 1 0 210.321 1.278 10 0 BDAERO Cc1ccc(NC(=O)C2CCC([NH3+])CC2)cn1 ZINC000164816700 487899572 /nfs/dbraw/zinc/89/95/72/487899572.db2.gz FZUFLXMLVMBPFM-UHFFFAOYSA-N 1 0 233.315 1.846 10 0 BDAERO CCc1nsc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000083670155 487926562 /nfs/dbraw/zinc/92/65/62/487926562.db2.gz HKFUZCRYYFWZQC-MRVPVSSYSA-N 1 0 226.349 1.655 10 0 BDAERO CCn1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000302288512 487954807 /nfs/dbraw/zinc/95/48/07/487954807.db2.gz KECUUSQOGSRHCD-NXEZZACHSA-N 1 0 236.319 1.217 10 0 BDAERO COc1ccccc1OCCN[C@@H]1CC[NH2+]C1 ZINC000562958740 323035223 /nfs/dbraw/zinc/03/52/23/323035223.db2.gz QUOSUWGYMAPFIA-LLVKDONJSA-N 1 0 236.315 1.026 10 0 BDAERO C[C@@H]1CCCN(C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000394773441 323108634 /nfs/dbraw/zinc/10/86/34/323108634.db2.gz GPFPMCWNJNTWPS-RKDXNWHRSA-N 1 0 249.305 1.410 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1cscn1 ZINC000563451691 323126510 /nfs/dbraw/zinc/12/65/10/323126510.db2.gz PYJJYZAOZZDZAA-DJLDLDEBSA-N 1 0 239.344 1.448 10 0 BDAERO OC1CC(C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000310421752 323131605 /nfs/dbraw/zinc/13/16/05/323131605.db2.gz ZDDGBHZNNXBIME-UHFFFAOYSA-N 1 0 245.273 1.009 10 0 BDAERO C[C@@H]1C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)[C@@H](C)O1 ZINC000571432998 323144549 /nfs/dbraw/zinc/14/45/49/323144549.db2.gz MXBQGLNCHUPBGL-KKOKHZNYSA-N 1 0 229.364 1.797 10 0 BDAERO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052000787 323192043 /nfs/dbraw/zinc/19/20/43/323192043.db2.gz FKJDGEGNZDEKBX-FVCCEPFGSA-N 1 0 227.348 1.837 10 0 BDAERO CC[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000052497149 323193437 /nfs/dbraw/zinc/19/34/37/323193437.db2.gz ZUGBRNATMUHCDV-WDEREUQCSA-N 1 0 227.352 1.568 10 0 BDAERO CSCCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398857279 323193874 /nfs/dbraw/zinc/19/38/74/323193874.db2.gz OZYRXIKFPFGRIK-SRVKXCTJSA-N 1 0 229.389 1.832 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccno1 ZINC000052762775 323195353 /nfs/dbraw/zinc/19/53/53/323195353.db2.gz ZWEIZOSVPZQNAY-SNVBAGLBSA-N 1 0 210.277 1.412 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](O)CC[C@@H]2C)O1 ZINC000399169123 323198573 /nfs/dbraw/zinc/19/85/73/323198573.db2.gz NMVJJDKOVQCEPI-IRCOFANPSA-N 1 0 213.321 1.399 10 0 BDAERO CC(C)(C)OC[C@@H](O)C[NH2+]C1(C2CC2)CC1 ZINC000309400005 323372597 /nfs/dbraw/zinc/37/25/97/323372597.db2.gz WBOSYEQIBNBOOD-NSHDSACASA-N 1 0 227.348 1.695 10 0 BDAERO OC1(C[NH2+][C@@H](C2CC2)C2CCC2)CCOCC1 ZINC000572335288 323598467 /nfs/dbraw/zinc/59/84/67/323598467.db2.gz ZHDXMTAVPZCKMU-CYBMUJFWSA-N 1 0 239.359 1.696 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000121604293 324018881 /nfs/dbraw/zinc/01/88/81/324018881.db2.gz OQGDWLYINSQFEX-SBFPOUOMSA-N 1 0 224.348 1.379 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(F)cn3)C[C@@H]12 ZINC000310942605 325013242 /nfs/dbraw/zinc/01/32/42/325013242.db2.gz KDJGCYRHGHEYRV-FBIMIBRVSA-N 1 0 249.289 1.030 10 0 BDAERO CCC[C@H](C(=O)N1CC[C@H](C)[C@@H]1C)[NH+](C)C ZINC000131446169 325152323 /nfs/dbraw/zinc/15/23/23/325152323.db2.gz YDZJDUZRTZIPFR-SDDRHHMPSA-N 1 0 226.364 1.974 10 0 BDAERO C[C@H](C[NH3+])Nc1ccc(C(F)(F)F)nn1 ZINC000132512431 325222358 /nfs/dbraw/zinc/22/23/58/325222358.db2.gz ZVVUBSBPBCSNDD-RXMQYKEDSA-N 1 0 220.198 1.255 10 0 BDAERO Cc1nccnc1[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000235203685 325251972 /nfs/dbraw/zinc/25/19/72/325251972.db2.gz VIBWUWFRQXLSFJ-KPPDAEKUSA-N 1 0 221.304 1.207 10 0 BDAERO CCC[C@H](C(=O)N1CC[C@H](CC)C1)[NH+](C)C ZINC000153544677 326102092 /nfs/dbraw/zinc/10/20/92/326102092.db2.gz OEFIMJCZCCLEKO-NWDGAFQWSA-N 1 0 226.364 1.975 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCC(C)(C)C ZINC000313447284 326266550 /nfs/dbraw/zinc/26/65/50/326266550.db2.gz SQKWFWQDITZRFH-GHMZBOCLSA-N 1 0 226.364 1.784 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCOC[C@@H]1CCCO1 ZINC000568990647 326385372 /nfs/dbraw/zinc/38/53/72/326385372.db2.gz FQUXWIYRDQLTQW-RYUDHWBXSA-N 1 0 245.363 1.179 10 0 BDAERO CCC(CC)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000158758319 487974527 /nfs/dbraw/zinc/97/45/27/487974527.db2.gz VDCWDWLMRGTDNE-NWDGAFQWSA-N 1 0 226.364 1.914 10 0 BDAERO CC1(C)C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC[C@@H]1O ZINC000383670570 487974835 /nfs/dbraw/zinc/97/48/35/487974835.db2.gz LOUSHHHFJAUVPJ-UPJWGTAASA-N 1 0 241.375 1.630 10 0 BDAERO CN(CC(F)F)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000158775022 487975189 /nfs/dbraw/zinc/97/51/89/487975189.db2.gz PRKJGAGKXWJJLR-JGVFFNPUSA-N 1 0 220.263 1.085 10 0 BDAERO C[C@H]([NH3+])Cc1ccc(-c2ccnn2C)cc1 ZINC000235505670 487975296 /nfs/dbraw/zinc/97/52/96/487975296.db2.gz UFVGDIZFCGKKRM-JTQLQIEISA-N 1 0 215.300 1.977 10 0 BDAERO O[C@H](C[NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000309609553 487980392 /nfs/dbraw/zinc/98/03/92/487980392.db2.gz YZBCDQUZQRFPQF-CHWSQXEVSA-N 1 0 227.348 1.696 10 0 BDAERO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000307827216 487981980 /nfs/dbraw/zinc/98/19/80/487981980.db2.gz WHMBDCABHOPIEJ-VLEAKVRGSA-N 1 0 222.332 1.289 10 0 BDAERO Cc1cc(C(C)C)nc(NC[C@H](C)C[NH3+])n1 ZINC000229932778 487998896 /nfs/dbraw/zinc/99/88/96/487998896.db2.gz GQECPUYAPQLMFN-SECBINFHSA-N 1 0 222.336 1.915 10 0 BDAERO COc1cc(C[N@@H+]2CC[C@@H](CCO)C2)sn1 ZINC000401115476 488009011 /nfs/dbraw/zinc/00/90/11/488009011.db2.gz KYTKVZQSFVZQAK-VIFPVBQESA-N 1 0 242.344 1.356 10 0 BDAERO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000668616496 488010388 /nfs/dbraw/zinc/01/03/88/488010388.db2.gz NLZKOCCMJDRSEQ-VXGBXAGGSA-N 1 0 226.364 1.737 10 0 BDAERO CC(C)([NH3+])c1cn(C[C@H]2Cc3ccccc32)nn1 ZINC000090981483 488016166 /nfs/dbraw/zinc/01/61/66/488016166.db2.gz QWYZQXYOSXPVKS-LLVKDONJSA-N 1 0 242.326 1.812 10 0 BDAERO Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1O ZINC000091496568 488054322 /nfs/dbraw/zinc/05/43/22/488054322.db2.gz GOXIRKZJUHWPJY-ZYHUDNBSSA-N 1 0 248.326 1.571 10 0 BDAERO Cc1cc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)no1 ZINC000136167650 488083251 /nfs/dbraw/zinc/08/32/51/488083251.db2.gz VKWOVLLUPIKEQY-GFCCVEGCSA-N 1 0 237.303 1.131 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1c(C)noc1C ZINC000092329933 488089123 /nfs/dbraw/zinc/08/91/23/488089123.db2.gz BUOJEPWWZBDWKX-XVKPBYJWSA-N 1 0 239.319 1.596 10 0 BDAERO COc1cccnc1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000129539991 488091579 /nfs/dbraw/zinc/09/15/79/488091579.db2.gz SUZWYBZFMPOSPI-NXEZZACHSA-N 1 0 221.304 1.643 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CCc1ccncc1 ZINC000136365129 488099508 /nfs/dbraw/zinc/09/95/08/488099508.db2.gz VCXOWCSRBORTEE-ZDUSSCGKSA-N 1 0 249.358 1.456 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cnn(C(C)C)c1 ZINC000136455793 488103375 /nfs/dbraw/zinc/10/33/75/488103375.db2.gz FSAMBFGXUQJYBF-NSHDSACASA-N 1 0 238.335 1.776 10 0 BDAERO CCCn1nccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000160110346 488107390 /nfs/dbraw/zinc/10/73/90/488107390.db2.gz FUABPCIPTPBUBX-ZDUSSCGKSA-N 1 0 237.347 1.952 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667776672 488117827 /nfs/dbraw/zinc/11/78/27/488117827.db2.gz AGVJBFWLQKTKMH-AVGNSLFASA-N 1 0 225.332 1.713 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC000226966861 488124064 /nfs/dbraw/zinc/12/40/64/488124064.db2.gz FJRLOHRXMWAGMC-GRYCIOLGSA-N 1 0 222.332 1.586 10 0 BDAERO COCC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000382502520 487544141 /nfs/dbraw/zinc/54/41/41/487544141.db2.gz SSTCQWHYWLYYID-KBPBESRZSA-N 1 0 241.375 1.896 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000382518554 487545628 /nfs/dbraw/zinc/54/56/28/487545628.db2.gz SIESPRLZMBZEQK-ZIQFBCGOSA-N 1 0 222.332 1.276 10 0 BDAERO OC1(C[NH2+]C[C@@H]2Cc3ccccc32)CCOCC1 ZINC000162330496 487549005 /nfs/dbraw/zinc/54/90/05/487549005.db2.gz VMZOPWKRKCFCOC-ZDUSSCGKSA-N 1 0 247.338 1.457 10 0 BDAERO c1cnc2nc(NC3CC[NH2+]CC3)ccc2n1 ZINC000094726257 487556492 /nfs/dbraw/zinc/55/64/92/487556492.db2.gz YFVXXZQHHWRNKX-UHFFFAOYSA-N 1 0 229.287 1.189 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)CC(C)(C)[NH3+])o1 ZINC000231743014 487472319 /nfs/dbraw/zinc/47/23/19/487472319.db2.gz HIDRITCZASIWKJ-MRVPVSSYSA-N 1 0 225.292 1.288 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)c2ccc(C[NH3+])o2)o1 ZINC000231743020 487472466 /nfs/dbraw/zinc/47/24/66/487472466.db2.gz DJGOSBXPBBMZIQ-MRVPVSSYSA-N 1 0 249.270 1.526 10 0 BDAERO OC1(C[N@@H+]2CC[C@H](C(F)F)C2)CCC1 ZINC000677736673 487474403 /nfs/dbraw/zinc/47/44/03/487474403.db2.gz WHKZAVKWINBUHI-QMMMGPOBSA-N 1 0 205.248 1.488 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)C1CCCC1 ZINC000086272125 487496337 /nfs/dbraw/zinc/49/63/37/487496337.db2.gz LJRIIYDSRMGTQO-NHCYSSNCSA-N 1 0 224.348 1.679 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]1 ZINC000300223956 487505112 /nfs/dbraw/zinc/50/51/12/487505112.db2.gz IUDDSFQXVAPPFN-RMPHRYRLSA-N 1 0 222.332 1.289 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCNC1=O ZINC000658052033 487534183 /nfs/dbraw/zinc/53/41/83/487534183.db2.gz GYBVHVGANGBTFO-BBBLOLIVSA-N 1 0 210.321 1.289 10 0 BDAERO Cc1cc(N[C@@H](C)CCC[NH3+])nc(C)n1 ZINC000087362291 487646766 /nfs/dbraw/zinc/64/67/66/487646766.db2.gz JCHWWUPDVDSENT-QMMMGPOBSA-N 1 0 208.309 1.633 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000226379305 487726349 /nfs/dbraw/zinc/72/63/49/487726349.db2.gz CFHTVRMXKZNANO-WCBMZHEXSA-N 1 0 222.288 1.657 10 0 BDAERO Cc1ccc(CN(C)C[C@H]2CCC[NH2+]C2)nc1 ZINC000234358717 487804883 /nfs/dbraw/zinc/80/48/83/487804883.db2.gz JBFOQUNDWILWPW-ZDUSSCGKSA-N 1 0 233.359 1.821 10 0 BDAERO CCC(CC)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000158758184 487974340 /nfs/dbraw/zinc/97/43/40/487974340.db2.gz VDCWDWLMRGTDNE-NEPJUHHUSA-N 1 0 226.364 1.914 10 0 BDAERO CCc1cc(N[C@H](C)CC[NH3+])nc(C)n1 ZINC000134270428 487976834 /nfs/dbraw/zinc/97/68/34/487976834.db2.gz KYQCKCDHSHCAKN-MRVPVSSYSA-N 1 0 208.309 1.497 10 0 BDAERO CCCC[C@H](CC)C[N@@H+]1CCOC[C@@H]1CO ZINC000159303409 488021003 /nfs/dbraw/zinc/02/10/03/488021003.db2.gz BOMOUFOSSSJRSR-STQMWFEESA-N 1 0 229.364 1.896 10 0 BDAERO CCc1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n[nH]1 ZINC000135896499 488059238 /nfs/dbraw/zinc/05/92/38/488059238.db2.gz AZVJVZYFHMVCDL-PSASIEDQSA-N 1 0 236.319 1.286 10 0 BDAERO C[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000390245754 488143040 /nfs/dbraw/zinc/14/30/40/488143040.db2.gz JBOAHFOSSVKETQ-FRRDWIJNSA-N 1 0 227.348 1.506 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC000379745986 488149340 /nfs/dbraw/zinc/14/93/40/488149340.db2.gz UQZZNXXWKDQFMG-MWLCHTKSSA-N 1 0 234.299 1.262 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cccc2[nH]ccc21 ZINC000379740279 488149440 /nfs/dbraw/zinc/14/94/40/488149440.db2.gz JQQJVQIVQFGHRS-VIFPVBQESA-N 1 0 231.299 1.506 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657879049 488160934 /nfs/dbraw/zinc/16/09/34/488160934.db2.gz NGACUXMKVMXISN-MNOVXSKESA-N 1 0 227.348 1.695 10 0 BDAERO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000310558362 488162097 /nfs/dbraw/zinc/16/20/97/488162097.db2.gz ZJTVWWKACPIRCD-RFQIPJPRSA-N 1 0 241.375 1.773 10 0 BDAERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@H]1C[C@H]1C ZINC000322015857 488166075 /nfs/dbraw/zinc/16/60/75/488166075.db2.gz JRNKTFLVKSWTID-UTLUCORTSA-N 1 0 233.377 1.444 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000380025359 488168139 /nfs/dbraw/zinc/16/81/39/488168139.db2.gz YFPLPVVHFJEMFM-IRCOFANPSA-N 1 0 213.321 1.183 10 0 BDAERO c1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)on1 ZINC000667978577 488173590 /nfs/dbraw/zinc/17/35/90/488173590.db2.gz HQDHECCACJBIAA-ONGXEEELSA-N 1 0 208.261 1.332 10 0 BDAERO C[C@H](NC(=O)CC1([NH3+])CC1)c1cccs1 ZINC000398169140 488213415 /nfs/dbraw/zinc/21/34/15/488213415.db2.gz KPIGBJOZSNYCGI-QMMMGPOBSA-N 1 0 224.329 1.807 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000398549581 488221597 /nfs/dbraw/zinc/22/15/97/488221597.db2.gz YVJBFUPUBCQTBB-NWDGAFQWSA-N 1 0 214.353 1.221 10 0 BDAERO CC(C)(CO)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000122031670 490119196 /nfs/dbraw/zinc/11/91/96/490119196.db2.gz FXRNYWNLQYRQBP-DCAQKATOSA-N 1 0 227.348 1.408 10 0 BDAERO COC[C@@H](C)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220867383 490152327 /nfs/dbraw/zinc/15/23/27/490152327.db2.gz MTSNTLKTMCRGBA-WPRPVWTQSA-N 1 0 212.293 1.916 10 0 BDAERO CC[C@H](COC)[NH2+]CC[C@@H]1CCCO1 ZINC000070624198 490226980 /nfs/dbraw/zinc/22/69/80/490226980.db2.gz IULTZCAMVGASRE-MNOVXSKESA-N 1 0 201.310 1.570 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cncnc1 ZINC000123362669 490227914 /nfs/dbraw/zinc/22/79/14/490227914.db2.gz 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/nfs/dbraw/zinc/61/43/20/490614320.db2.gz JAONYRKGGMHNSU-LLVKDONJSA-N 1 0 247.342 1.324 10 0 BDAERO CC(C)[C@H](NC(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000324499202 491105318 /nfs/dbraw/zinc/10/53/18/491105318.db2.gz KPSONCUJMOQPBU-UHTWSYAYSA-N 1 0 238.375 1.925 10 0 BDAERO CCOC[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000132634351 491137502 /nfs/dbraw/zinc/13/75/02/491137502.db2.gz JGIUVYUKGCQFCO-AXFHLTTASA-N 1 0 201.310 1.305 10 0 BDAERO [NH3+][C@H]1c2cc(Br)ccc2CC[C@@H]1O ZINC000039941464 491110657 /nfs/dbraw/zinc/11/06/57/491110657.db2.gz UFBIQGKVIWRVFU-UWVGGRQHSA-N 1 0 242.116 1.756 10 0 BDAERO COc1cc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)ccn1 ZINC000395236204 491125708 /nfs/dbraw/zinc/12/57/08/491125708.db2.gz JLXYIBQFQTXRPY-MWLCHTKSSA-N 1 0 249.314 1.417 10 0 BDAERO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)on1 ZINC000083551030 491126434 /nfs/dbraw/zinc/12/64/34/491126434.db2.gz PKJPFBASNLCWKY-RYUDHWBXSA-N 1 0 235.331 1.652 10 0 BDAERO CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)C(C)C ZINC000090882912 491129883 /nfs/dbraw/zinc/12/98/83/491129883.db2.gz OWYAHWVFCIIPOE-GFCCVEGCSA-N 1 0 247.404 1.835 10 0 BDAERO CC[C@H](C)C[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309699019 491154727 /nfs/dbraw/zinc/15/47/27/491154727.db2.gz LXJSRXOBZCGDAO-GVXVVHGQSA-N 1 0 226.364 1.879 10 0 BDAERO CC(C)n1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)nn1 ZINC000310306170 491160994 /nfs/dbraw/zinc/16/09/94/491160994.db2.gz OWYFZAHDKDNFMP-ZYHUDNBSSA-N 1 0 238.335 1.252 10 0 BDAERO COCC[C@@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757127497 582502653 /nfs/dbraw/zinc/50/26/53/582502653.db2.gz IQKYOSYBFMEPCT-MRVPVSSYSA-N 1 0 230.333 1.023 10 0 BDAERO CC[C@@H](C)[C@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757134297 582510984 /nfs/dbraw/zinc/51/09/84/582510984.db2.gz YBFXJORDXKLIBI-MUWHJKNJSA-N 1 0 214.334 1.990 10 0 BDAERO C[C@H]1CC[C@@]2(CCCN2CC(F)F)C[NH2+]1 ZINC000757134648 582511838 /nfs/dbraw/zinc/51/18/38/582511838.db2.gz WWCFCDFNYMPXAB-ONGXEEELSA-N 1 0 218.291 1.858 10 0 BDAERO FC(F)[C@H]1CC[NH2+][C@@]2(CCCOC2)O1 ZINC000757139790 582520531 /nfs/dbraw/zinc/52/05/31/582520531.db2.gz HLVLZDAMFDHHGP-APPZFPTMSA-N 1 0 207.220 1.137 10 0 BDAERO CCC1(CC)CCNC2(CC[NH2+]CC2)O1 ZINC000757141074 582521569 /nfs/dbraw/zinc/52/15/69/582521569.db2.gz JJDRYRDHJLMLJW-UHFFFAOYSA-N 1 0 212.337 1.635 10 0 BDAERO C1CC[C@@H]2[NH2+]C3(CCOCC3)OC[C@@H]2C1 ZINC000757141760 582522372 /nfs/dbraw/zinc/52/23/72/582522372.db2.gz LDYAHQQENDSNEW-QWRGUYRKSA-N 1 0 211.305 1.672 10 0 BDAERO CC(C)c1cc(N2CC[C@@H]2C[NH3+])ncn1 ZINC000757150261 582534041 /nfs/dbraw/zinc/53/40/41/582534041.db2.gz PAMYHVYRJCCEFU-SECBINFHSA-N 1 0 206.293 1.137 10 0 BDAERO C[NH+]1CCC2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757153540 582538109 /nfs/dbraw/zinc/53/81/09/582538109.db2.gz XHACGRZVJQGOJZ-UHFFFAOYSA-N 1 0 226.364 1.833 10 0 BDAERO CC[C@H]([NH3+])[C@@H](CO)SCc1occc1C ZINC000757164009 582545759 /nfs/dbraw/zinc/54/57/59/582545759.db2.gz GNCMVRVIFHVYRH-GXSJLCMTSA-N 1 0 229.345 1.919 10 0 BDAERO C[C@H](NCc1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000400353398 533934092 /nfs/dbraw/zinc/93/40/92/533934092.db2.gz AGGBTMAKVHBFHQ-QWRGUYRKSA-N 1 0 222.307 1.913 10 0 BDAERO c1nc2c([nH]1)[C@H]([C@@H]1C[C@H]3C[C@H]3C1)[NH2+]CC2 ZINC000700030301 582747735 /nfs/dbraw/zinc/74/77/35/582747735.db2.gz OEUZHKDIBQAQDN-DKIAZLNASA-N 1 0 203.289 1.643 10 0 BDAERO C[C@@H]([N@H+](C)C[C@@H]1CNC(=O)O1)C(C)(C)C ZINC000495714892 534285155 /nfs/dbraw/zinc/28/51/55/534285155.db2.gz FMHNKFFKOFVVGF-BDAKNGLRSA-N 1 0 214.309 1.461 10 0 BDAERO CCCOC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000083862699 520215254 /nfs/dbraw/zinc/21/52/54/520215254.db2.gz NYYKBBLMUACATG-JTQLQIEISA-N 1 0 201.310 1.951 10 0 BDAERO C[NH2+][C@@H](C)CNc1nc(C(C)(C)C)ns1 ZINC000261530893 536344958 /nfs/dbraw/zinc/34/49/58/536344958.db2.gz DKZPTSXYNRLXJS-ZETCQYMHSA-N 1 0 228.365 1.855 10 0 BDAERO CCN1CCO[C@@H](C[NH3+])[C@H]1c1ccccc1 ZINC000238853082 521706124 /nfs/dbraw/zinc/70/61/24/521706124.db2.gz IHYHVOPKIDYLEC-QWHCGFSZSA-N 1 0 220.316 1.407 10 0 BDAERO C[NH2+]CCNC(=O)c1ccc2ncccc2c1 ZINC000061416419 522012539 /nfs/dbraw/zinc/01/25/39/522012539.db2.gz BSTNAQSAOKVKGP-UHFFFAOYSA-N 1 0 229.283 1.184 10 0 BDAERO CN[C@@]1(C(=O)OC)CC[N@H+](Cc2ccccc2)C1 ZINC000037447944 522434711 /nfs/dbraw/zinc/43/47/11/522434711.db2.gz NSEFJSWCGKYILQ-AWEZNQCLSA-N 1 0 248.326 1.024 10 0 BDAERO C[NH2+]Cc1cc(N2CCOC[C@@H]2C)ccn1 ZINC000051444058 536469001 /nfs/dbraw/zinc/46/90/01/536469001.db2.gz JGNSEWPMQDLZTF-JTQLQIEISA-N 1 0 221.304 1.026 10 0 BDAERO [NH3+]CCCCCNC(=O)CCc1ccco1 ZINC000070626789 527173769 /nfs/dbraw/zinc/17/37/69/527173769.db2.gz YYCNPRBVZXNWSA-UHFFFAOYSA-N 1 0 224.304 1.457 10 0 BDAERO Nc1ccc(C[NH3+])c(Br)c1 ZINC000228873902 527254555 /nfs/dbraw/zinc/25/45/55/527254555.db2.gz NADVLWHPLPJDGN-UHFFFAOYSA-N 1 0 201.067 1.490 10 0 BDAERO Cn1cccc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000229018627 527383115 /nfs/dbraw/zinc/38/31/15/527383115.db2.gz ACYSNYQMUBPUEH-VIFPVBQESA-N 1 0 232.287 1.542 10 0 BDAERO CC(C)(C)/C=C\C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000493108228 527552933 /nfs/dbraw/zinc/55/29/33/527552933.db2.gz RNTSQPWFPHCTJC-WWEWDWSQSA-N 1 0 236.359 1.784 10 0 BDAERO CC(C)OCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401595378 527963700 /nfs/dbraw/zinc/96/37/00/527963700.db2.gz VCXQXTWEZNYRHO-GHMZBOCLSA-N 1 0 201.310 1.114 10 0 BDAERO CCC[C@H](C)[N@H+](C)C[C@@H]1CNC(=O)O1 ZINC000496213494 528047564 /nfs/dbraw/zinc/04/75/64/528047564.db2.gz PINWSCCXROIQCH-IUCAKERBSA-N 1 0 200.282 1.215 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]C[C@@H](O)COC ZINC000308910544 528383740 /nfs/dbraw/zinc/38/37/40/528383740.db2.gz DPIDDMVFMCNRMX-QJPTWQEYSA-N 1 0 215.337 1.552 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]CC[C@@H]1CCOC1 ZINC000400553312 528501984 /nfs/dbraw/zinc/50/19/84/528501984.db2.gz KUUXBJNTEATBSB-ZIAGYGMSSA-N 1 0 242.407 1.979 10 0 BDAERO CCC1(CC)[C@H]([NH2+][C@@H](C)CO)[C@H](C)[C@@H]1OC ZINC000310001153 529111425 /nfs/dbraw/zinc/11/14/25/529111425.db2.gz DWHMVMLGEHQALB-YFKTTZPYSA-N 1 0 229.364 1.797 10 0 BDAERO CCC(CC)(CNC(=O)C1C[NH2+]C1)SC ZINC000230051625 534949464 /nfs/dbraw/zinc/94/94/64/534949464.db2.gz UUXCGBITYLBIRW-UHFFFAOYSA-N 1 0 230.377 1.244 10 0 BDAERO CCC(CC)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087121953 535075983 /nfs/dbraw/zinc/07/59/83/535075983.db2.gz SQRSQCOTEOAGJD-KOLCDFICSA-N 1 0 212.337 1.679 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)[C@@H]2CCO[C@H]21 ZINC000252770332 535079013 /nfs/dbraw/zinc/07/90/13/535079013.db2.gz KYAUGUVKBDFAHL-PREPNJAASA-N 1 0 239.359 1.549 10 0 BDAERO CC(C)(C)c1ccnc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000261542435 535135130 /nfs/dbraw/zinc/13/51/30/535135130.db2.gz CCSLVOCRECGZDK-SNVBAGLBSA-N 1 0 234.347 1.796 10 0 BDAERO CC1(F)CC(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000334954220 535172612 /nfs/dbraw/zinc/17/26/12/535172612.db2.gz VAHBJRCUGASJES-RKVXJDFWSA-N 1 0 243.326 1.446 10 0 BDAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(N)=O ZINC000021956742 535252981 /nfs/dbraw/zinc/25/29/81/535252981.db2.gz HZGOYRYWCVFNDO-VWYCJHECSA-N 1 0 212.337 1.522 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](CCO)C1CCC1 ZINC000227908186 535316742 /nfs/dbraw/zinc/31/67/42/535316742.db2.gz XWSBRWNZVAQPSE-CYBMUJFWSA-N 1 0 245.363 1.011 10 0 BDAERO CC1(C)CC[C@H](C[N@@H+]2CC[C@@H](CCO)C2)O1 ZINC000226064117 535325599 /nfs/dbraw/zinc/32/55/99/535325599.db2.gz NUSPFKXGODTBGQ-NWDGAFQWSA-N 1 0 227.348 1.648 10 0 BDAERO CCOC1CCN(c2cccc(C[NH3+])n2)CC1 ZINC000051397157 535400840 /nfs/dbraw/zinc/40/08/40/535400840.db2.gz DUYFLVRWDNFEID-UHFFFAOYSA-N 1 0 235.331 1.546 10 0 BDAERO CC[NH2+]Cc1cccc(N2C[C@H](C)OC[C@@H]2C)n1 ZINC000051444208 535479442 /nfs/dbraw/zinc/47/94/42/535479442.db2.gz YNRIVQJPJBZXKB-RYUDHWBXSA-N 1 0 249.358 1.805 10 0 BDAERO CCO[C@H]1CCCN(c2cccc(C[NH2+]C)n2)C1 ZINC000051521203 535621808 /nfs/dbraw/zinc/62/18/08/535621808.db2.gz BNGFAYBXJMHKGF-ZDUSSCGKSA-N 1 0 249.358 1.806 10 0 BDAERO CCN(C)C(=O)C[NH2+]CC1CCC(C)CC1 ZINC000063145589 535726897 /nfs/dbraw/zinc/72/68/97/535726897.db2.gz WCRBWANXVDZSDB-UHFFFAOYSA-N 1 0 226.364 1.881 10 0 BDAERO CC[N@H+](CCNCc1ccnc(C)n1)C1CC1 ZINC000217508387 535737819 /nfs/dbraw/zinc/73/78/19/535737819.db2.gz JGTUBBBGCDBNDC-UHFFFAOYSA-N 1 0 234.347 1.359 10 0 BDAERO CC[C@@H]1COCCN1c1cc(C[NH3+])ccn1 ZINC000036322208 535835694 /nfs/dbraw/zinc/83/56/94/535835694.db2.gz DAUGHFWXMIJFIW-LLVKDONJSA-N 1 0 221.304 1.156 10 0 BDAERO CC[C@]1(C(=O)NCc2ccn(C)c2)CC[NH2+]C1 ZINC000227759330 535881313 /nfs/dbraw/zinc/88/13/13/535881313.db2.gz UILSKLKTJLHOBG-ZDUSSCGKSA-N 1 0 235.331 1.031 10 0 BDAERO CCc1cc(N2CCC([NH3+])CC2)nc(CC)n1 ZINC000045951010 536145331 /nfs/dbraw/zinc/14/53/31/536145331.db2.gz FSPXENHFJMJACF-UHFFFAOYSA-N 1 0 234.347 1.529 10 0 BDAERO Nc1[nH+]ccn1[C@@H]1CCOC2(CCC2)C1 ZINC000702459348 582926638 /nfs/dbraw/zinc/92/66/38/582926638.db2.gz HJWAVEUUNLJZIJ-SECBINFHSA-N 1 0 207.277 1.740 10 0 BDAERO C[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC000151034129 536357194 /nfs/dbraw/zinc/35/71/94/536357194.db2.gz QLCVKPUORXISBE-VXGBXAGGSA-N 1 0 226.364 1.879 10 0 BDAERO CN(CC[NH2+]C1COC1)Cc1ccccc1 ZINC000306161261 536387008 /nfs/dbraw/zinc/38/70/08/536387008.db2.gz GJNQBYMENRAIEG-UHFFFAOYSA-N 1 0 220.316 1.107 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)CSC(C)(C)C ZINC000261527597 536392535 /nfs/dbraw/zinc/39/25/35/536392535.db2.gz DHYSOYGXNXNJAH-MRVPVSSYSA-N 1 0 218.366 1.242 10 0 BDAERO COC[C@@H]([NH3+])C(=O)Nc1cnc2ccccc2c1 ZINC000159664341 536674452 /nfs/dbraw/zinc/67/44/52/536674452.db2.gz YVQRHPPOKOTSDA-LLVKDONJSA-N 1 0 245.282 1.147 10 0 BDAERO C[NH2+]CCc1noc([C@H](C)CSC)n1 ZINC000300774806 582931284 /nfs/dbraw/zinc/93/12/84/582931284.db2.gz KZKBTZPSQHOGIL-SSDOTTSWSA-N 1 0 215.322 1.298 10 0 BDAERO COC[C@H](C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000175795475 536830683 /nfs/dbraw/zinc/83/06/83/536830683.db2.gz BIKVDESGJVYIOV-QWRGUYRKSA-N 1 0 244.379 1.361 10 0 BDAERO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000334744979 536862332 /nfs/dbraw/zinc/86/23/32/536862332.db2.gz BSLYMULEPVBOTB-AAEUAGOBSA-N 1 0 235.327 1.898 10 0 BDAERO COc1cccc2c1N(C(=O)CC[NH3+])CCC2 ZINC000037839075 536957572 /nfs/dbraw/zinc/95/75/72/536957572.db2.gz YVXSBCDZIDJFKX-UHFFFAOYSA-N 1 0 234.299 1.323 10 0 BDAERO COc1ccccc1N1CCN([C@@H](C)C[NH3+])CC1 ZINC000019795678 537069185 /nfs/dbraw/zinc/06/91/85/537069185.db2.gz BZDKNRCUIPEIJS-LBPRGKRZSA-N 1 0 249.358 1.164 10 0 BDAERO COc1cccc(N2CC[NH2+][C@H](C)C2)c1 ZINC000016944695 537125749 /nfs/dbraw/zinc/12/57/49/537125749.db2.gz BZWYIXIMMMTOBC-SNVBAGLBSA-N 1 0 206.289 1.493 10 0 BDAERO CCCCCn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257373 538064025 /nfs/dbraw/zinc/06/40/25/538064025.db2.gz LZVSIORHPFCVIY-UHFFFAOYSA-N 1 0 248.334 1.328 10 0 BDAERO C[C@@H]1C[C@@H](C)CN(Cc2nn(C)cc2C=O)C1 ZINC000675052860 566412057 /nfs/dbraw/zinc/41/20/57/566412057.db2.gz BTZKUVFPRKPOKY-GHMZBOCLSA-N 1 0 235.331 1.711 10 0 BDAERO c1c(C2CC[NH2+]CC2)nn2c1NCCC2 ZINC000232479014 566490627 /nfs/dbraw/zinc/49/06/27/566490627.db2.gz XSERKBMBASWUKQ-UHFFFAOYSA-N 1 0 206.293 1.166 10 0 BDAERO CC(C)n1nccc1[C@H]1OCC[C@@H]1C[NH3+] ZINC000399822474 583210347 /nfs/dbraw/zinc/21/03/47/583210347.db2.gz XIPHJERSRVHYKP-KOLCDFICSA-N 1 0 209.293 1.500 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@@H]2[NH3+] ZINC000110915332 582468135 /nfs/dbraw/zinc/46/81/35/582468135.db2.gz BYWZUQBXSAUYII-JOYOIKCWSA-N 1 0 242.319 1.114 10 0 BDAERO C[C@@H]1C[C@H]1C(=O)c1nc(CC[NH3+])cs1 ZINC000757125690 582500073 /nfs/dbraw/zinc/50/00/73/582500073.db2.gz SSRQNECKZOGVDE-HTRCEHHLSA-N 1 0 210.302 1.483 10 0 BDAERO CC(C)[C@@H]1[NH2+][C@]2(CCN(C)C2)OCC12CCC2 ZINC000757139287 582518958 /nfs/dbraw/zinc/51/89/58/582518958.db2.gz GNXXNJUCWAIKNR-GXTWGEPZSA-N 1 0 238.375 1.833 10 0 BDAERO CN1CC[C@]2(C1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757140616 582521018 /nfs/dbraw/zinc/52/10/18/582521018.db2.gz NOZFNEVJLDJQJQ-PWSUYJOCSA-N 1 0 212.337 1.443 10 0 BDAERO C[C@@H]1CCC[C@]2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757141349 582522035 /nfs/dbraw/zinc/52/20/35/582522035.db2.gz KREMGLTVDRHAAE-YPMHNXCESA-N 1 0 225.332 1.919 10 0 BDAERO CC(C)(C)[C@H]1CCOC2(CCOCC2)[NH2+]1 ZINC000757143885 582524618 /nfs/dbraw/zinc/52/46/18/582524618.db2.gz YUOVUDKPHXYPBD-SNVBAGLBSA-N 1 0 213.321 1.918 10 0 BDAERO C[C@H]1O[C@]2(COC(C)(C)C2)[NH2+]CC1(C)C ZINC000757145268 582527341 /nfs/dbraw/zinc/52/73/41/582527341.db2.gz IGNXGFPTHUTERO-BXKDBHETSA-N 1 0 213.321 1.916 10 0 BDAERO CN1CC[C@]2(C1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757145304 582527525 /nfs/dbraw/zinc/52/75/25/582527525.db2.gz OOMVZUSBJMYGRC-AWEZNQCLSA-N 1 0 236.359 1.731 10 0 BDAERO c1ccc(C[C@H]2CCO[C@@]3(CCC[NH2+]C3)N2)cc1 ZINC000757145174 582528192 /nfs/dbraw/zinc/52/81/92/582528192.db2.gz HYGYADBFCZPILP-HUUCEWRRSA-N 1 0 246.354 1.687 10 0 BDAERO CC1(C)CCC[C@@H](CN2CC[C@@H]2C[NH3+])O1 ZINC000757145509 582528213 /nfs/dbraw/zinc/52/82/13/582528213.db2.gz MUUHQTRUBOSGAX-MNOVXSKESA-N 1 0 212.337 1.367 10 0 BDAERO FCC1(CF)CC2(C1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757146256 582529835 /nfs/dbraw/zinc/52/98/35/582529835.db2.gz QSPKSEMHIAETPD-NSHDSACASA-N 1 0 247.285 1.571 10 0 BDAERO C1C[C@]2(CO1)CC[NH2+]C1(CCSCC1)O2 ZINC000757148877 582532886 /nfs/dbraw/zinc/53/28/86/582532886.db2.gz VOURDUOTNDFLGN-JTQLQIEISA-N 1 0 229.345 1.379 10 0 BDAERO C1CCC2(C1)C[NH2+][C@]1(CCCOC1)OC2 ZINC000757150843 582534634 /nfs/dbraw/zinc/53/46/34/582534634.db2.gz ZAPPAXQNBOXLIA-GFCCVEGCSA-N 1 0 211.305 1.673 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1ncc2sccc2n1 ZINC000757153950 582539003 /nfs/dbraw/zinc/53/90/03/582539003.db2.gz WNBUIYBRPDJXEI-ZETCQYMHSA-N 1 0 220.301 1.229 10 0 BDAERO c1ccc(C[C@@H]2CCO[C@@]3(CCOC3)[NH2+]2)cc1 ZINC000757153921 582539298 /nfs/dbraw/zinc/53/92/98/582539298.db2.gz YLSNLSAAIUGKQJ-UONOGXRCSA-N 1 0 233.311 1.724 10 0 BDAERO COC(=O)[C@H](C[NH3+])SCc1occc1C ZINC000757166300 582547790 /nfs/dbraw/zinc/54/77/90/582547790.db2.gz QERGIJOZXYHSDN-VIFPVBQESA-N 1 0 229.301 1.322 10 0 BDAERO CCCOc1cccc(N2CCC([NH3+])CC2)n1 ZINC000757168310 582549226 /nfs/dbraw/zinc/54/92/26/582549226.db2.gz BQCUMEGBYDMDAP-UHFFFAOYSA-N 1 0 235.331 1.798 10 0 BDAERO [NH3+]C[C@H]1C[NH2+]C[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757213273 582560514 /nfs/dbraw/zinc/56/05/14/582560514.db2.gz JCAHHMWMKFQLRZ-CABZTGNLSA-N 1 0 234.299 1.037 10 0 BDAERO NC[C@H]1C[C@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757218620 582561877 /nfs/dbraw/zinc/56/18/77/582561877.db2.gz VIWITIWZQKFIFR-RKDXNWHRSA-N 1 0 224.329 1.355 10 0 BDAERO CC(=O)c1ccc([C@@H]2C[C@@H](C)[C@@H]([NH3+])CN2)cc1 ZINC000757218520 582562605 /nfs/dbraw/zinc/56/26/05/582562605.db2.gz VNKGTEPDYZJKMY-IIMNLJJBSA-N 1 0 232.327 1.887 10 0 BDAERO CC1(C)CC[C@@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400366409 582568802 /nfs/dbraw/zinc/56/88/02/582568802.db2.gz DEHRUVILLDPYCG-LBPRGKRZSA-N 1 0 205.305 1.961 10 0 BDAERO Cc1ccc(F)cc1Cn1cc[nH+]c1N ZINC000235772565 582608303 /nfs/dbraw/zinc/60/83/03/582608303.db2.gz NOBPOIFTUNESHM-UHFFFAOYSA-N 1 0 205.236 1.961 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@H]2c1ccccn1 ZINC000236046459 582637473 /nfs/dbraw/zinc/63/74/73/582637473.db2.gz AIZIOSGAGRRVSZ-NSHDSACASA-N 1 0 214.272 1.992 10 0 BDAERO Cc1cccc(CCn2cc[nH+]c2N)n1 ZINC000702629848 582926598 /nfs/dbraw/zinc/92/65/98/582926598.db2.gz GZANDZRQBRBETQ-UHFFFAOYSA-N 1 0 202.261 1.411 10 0 BDAERO Nc1[nH+]ccn1Cc1ccc(Cl)cn1 ZINC000702554507 582927265 /nfs/dbraw/zinc/92/72/65/582927265.db2.gz ARZQTNKUZCXMAM-UHFFFAOYSA-N 1 0 208.652 1.562 10 0 BDAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)[C@H]1CC1(C)C ZINC000399010506 583169177 /nfs/dbraw/zinc/16/91/77/583169177.db2.gz XGWUINMBPNRTOT-DGCLKSJQSA-N 1 0 240.391 1.467 10 0 BDAERO [NH3+][C@H]1CCO[C@@H]1c1ccnn1CC1CC1 ZINC000399621353 583187467 /nfs/dbraw/zinc/18/74/67/583187467.db2.gz FPVNXBNJCSHELP-ONGXEEELSA-N 1 0 207.277 1.082 10 0 BDAERO Cc1cn2c([nH+]1)NC[C@@H](c1ccncc1)C2 ZINC000236045102 583210967 /nfs/dbraw/zinc/21/09/67/583210967.db2.gz WTTFFPBMEDIUKF-LLVKDONJSA-N 1 0 214.272 1.796 10 0 BDAERO [NH3+]C[C@@H]1[C@H]2CN(C(=O)C3CCCCC3)C[C@H]21 ZINC000675052802 583916013 /nfs/dbraw/zinc/91/60/13/583916013.db2.gz AUTNTBCMJRGWTG-CNDDSTCGSA-N 1 0 222.332 1.230 10 0 BDAERO CC/C=C\CC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000588564379 585024367 /nfs/dbraw/zinc/02/43/67/585024367.db2.gz GWFGUWSVKDUENW-DOGVGXBMSA-N 1 0 210.321 1.553 10 0 BDAERO CCC[N@@H+]1CCC=C(c2cnnn2C)C1 ZINC000757569667 586376656 /nfs/dbraw/zinc/37/66/56/586376656.db2.gz ZCVHUWPVEPCCCR-UHFFFAOYSA-N 1 0 206.293 1.314 10 0 BDAERO CC1(C)C[NH2+][C@@]2(CCCOC2)O[C@]12CCOC2 ZINC000757144154 586428111 /nfs/dbraw/zinc/42/81/11/586428111.db2.gz NFGQBRKKBGKOIP-STQMWFEESA-N 1 0 241.331 1.298 10 0 BDAERO CN1CC[C@]2(C1)[NH2+][C@H](Cc1ccccc1)CCO2 ZINC000757146404 586428822 /nfs/dbraw/zinc/42/88/22/586428822.db2.gz KTGVEDRQHGVFMZ-GJZGRUSLSA-N 1 0 246.354 1.639 10 0 BDAERO CCCSC[C@](C)([NH3+])CC(=O)OC ZINC000757159369 586430672 /nfs/dbraw/zinc/43/06/72/586430672.db2.gz TVYGFWALRGNDRA-SECBINFHSA-N 1 0 205.323 1.410 10 0 BDAERO Cc1cc(CN2CC([NH3+])C2)ccc1Cl ZINC000757160788 586432136 /nfs/dbraw/zinc/43/21/36/586432136.db2.gz UAHXBDHKZLCLCZ-UHFFFAOYSA-N 1 0 210.708 1.791 10 0 BDAERO Cc1ccoc1CSC[C@]1(O)CC[NH2+]C1 ZINC000757166685 586432527 /nfs/dbraw/zinc/43/25/27/586432527.db2.gz RIYBQGYLURENLY-NSHDSACASA-N 1 0 227.329 1.546 10 0 BDAERO O[C@@H]1C[NH2+]C[C@H]1SCc1ccc(Cl)o1 ZINC000757168523 586432719 /nfs/dbraw/zinc/43/27/19/586432719.db2.gz AOCLAJVOKSRELP-HTQZYQBOSA-N 1 0 233.720 1.499 10 0 BDAERO Cc1ccc(F)c2c1NC(=O)C[C@H]2C[NH3+] ZINC000757175474 586433123 /nfs/dbraw/zinc/43/31/23/586433123.db2.gz HYCVDPLBXAKVNT-ZETCQYMHSA-N 1 0 208.236 1.519 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12CCOCC2 ZINC000757186270 586434688 /nfs/dbraw/zinc/43/46/88/586434688.db2.gz WWAQEPXNWGERKX-SNVBAGLBSA-N 1 0 241.331 1.344 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1nccs1 ZINC000757189139 586434985 /nfs/dbraw/zinc/43/49/85/586434985.db2.gz MDQCZQUFVWACHZ-JGVFFNPUSA-N 1 0 226.301 1.009 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1csc(C)n1 ZINC000757187778 586435195 /nfs/dbraw/zinc/43/51/95/586435195.db2.gz HYVUAXQCSWLNGK-DTWKUNHWSA-N 1 0 240.328 1.318 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1cc[nH]n1 ZINC000757192354 586435956 /nfs/dbraw/zinc/43/59/56/586435956.db2.gz YVJRHQXUTINMNW-BDAKNGLRSA-N 1 0 237.303 1.054 10 0 BDAERO [NH3+][C@@H]1CC[NH2+]C[C@H]1c1cccc2cc[nH]c21 ZINC000757209007 586437697 /nfs/dbraw/zinc/43/76/97/586437697.db2.gz CZGFNQGGFRBQCS-NWDGAFQWSA-N 1 0 215.300 1.572 10 0 BDAERO CC(=O)c1ccc([C@H]2CC[C@H](CN)[NH2+]C2)cc1 ZINC000757215404 586440551 /nfs/dbraw/zinc/44/05/51/586440551.db2.gz NJSNLLNRFBCQGS-UONOGXRCSA-N 1 0 232.327 1.684 10 0 BDAERO CCOC(=O)[C@@H]1CC[C@@H](CC(C)C)[NH2+]C1 ZINC000757215300 586440717 /nfs/dbraw/zinc/44/07/17/586440717.db2.gz MYAYVSLVHWPJQM-MNOVXSKESA-N 1 0 213.321 1.964 10 0 BDAERO C[C@@H]1CN[C@@H](c2cccc(C=O)c2)[C@H]([NH3+])C1 ZINC000757217549 586441725 /nfs/dbraw/zinc/44/17/25/586441725.db2.gz SEHYQMFNGRZMKW-BIMULSAOSA-N 1 0 218.300 1.497 10 0 BDAERO CCOC(=O)[C@@H]1CC[C@H](c2cccc(N)c2)[NH2+]C1 ZINC000757217592 586441867 /nfs/dbraw/zinc/44/18/67/586441867.db2.gz SPLYMSZWEBWHQZ-DGCLKSJQSA-N 1 0 248.326 1.873 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2CC[NH2+][C@@H](C(=O)[O-])C2)cc1 ZINC000757217235 586441908 /nfs/dbraw/zinc/44/19/08/586441908.db2.gz RNZJSRUNTHKBEQ-VXGBXAGGSA-N 1 0 234.299 1.066 10 0 BDAERO CCOC(=O)[C@@H]1CCC[NH2+][C@@H]1c1cnn(C)c1 ZINC000757237962 586443578 /nfs/dbraw/zinc/44/35/78/586443578.db2.gz QYXYSMVOGCCJKK-GHMZBOCLSA-N 1 0 237.303 1.024 10 0 BDAERO Cc1ccc(N)cc1[C@H]1CC[C@H]([NH3+])CN1 ZINC000757236243 586443673 /nfs/dbraw/zinc/44/36/73/586443673.db2.gz NSAOPYPCUNZMRL-CMPLNLGQSA-N 1 0 205.305 1.329 10 0 BDAERO C[NH2+]CCCOc1ccc(-c2cnnn2C)cc1 ZINC000757567979 586461994 /nfs/dbraw/zinc/46/19/94/586461994.db2.gz QPGQHLASYBZDAO-UHFFFAOYSA-N 1 0 246.314 1.470 10 0 BDAERO [NH3+]Cc1cccc(C(=O)N[C@@H]2CCCOC2)c1 ZINC000109542883 588567268 /nfs/dbraw/zinc/56/72/68/588567268.db2.gz NTCVWCAXZYYYTP-GFCCVEGCSA-N 1 0 234.299 1.054 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000020306447 590096896 /nfs/dbraw/zinc/09/68/96/590096896.db2.gz CDTOYEQKULVVBS-LLVKDONJSA-N 1 0 220.316 1.343 10 0 BDAERO C[C@H]([NH2+]CCc1ccccc1)C(=O)N1CCCC1 ZINC000020299336 590097050 /nfs/dbraw/zinc/09/70/50/590097050.db2.gz WIUWNACEWNEFNC-ZDUSSCGKSA-N 1 0 246.354 1.830 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc(OC)cc(OC)c1 ZINC000020577460 590124771 /nfs/dbraw/zinc/12/47/71/590124771.db2.gz ILMPFVTZJSNUHY-NSHDSACASA-N 1 0 239.271 1.267 10 0 BDAERO CO[C@H](C[NH3+])c1cncc(Br)c1 ZINC000125158675 590127467 /nfs/dbraw/zinc/12/74/67/590127467.db2.gz OJBQZHXGVNZBJI-MRVPVSSYSA-N 1 0 231.093 1.490 10 0 BDAERO [NH3+]CC[C@H]1CCCN(c2cncc(Cl)n2)C1 ZINC000126489644 590320770 /nfs/dbraw/zinc/32/07/70/590320770.db2.gz RSPFRPJIAINPDA-SECBINFHSA-N 1 0 240.738 1.695 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1cncc(Cl)n1 ZINC000126519413 590323662 /nfs/dbraw/zinc/32/36/62/590323662.db2.gz XEEATLUYIQWETB-MRVPVSSYSA-N 1 0 226.711 1.318 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC1C(C)(C)C1(C)C ZINC000129130087 591259600 /nfs/dbraw/zinc/25/96/00/591259600.db2.gz OOHXWNILWMWFJI-VIFPVBQESA-N 1 0 226.364 1.911 10 0 BDAERO 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1.507 10 0 BDAERO CCc1ccc(C(=O)NCC2CC([NH3+])C2)cc1 ZINC000091525386 632054122 /nfs/dbraw/zinc/05/41/22/632054122.db2.gz BCADZCMEQZDHQP-UHFFFAOYSA-N 1 0 232.327 1.716 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CC1(Cl)Cl ZINC000237958480 632054214 /nfs/dbraw/zinc/05/42/14/632054214.db2.gz HYGABFOUCLUZAW-NKWVEPMBSA-N 1 0 237.130 1.130 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000091526071 632054799 /nfs/dbraw/zinc/05/47/99/632054799.db2.gz XVRWEBLVLVYPTI-UHFFFAOYSA-N 1 0 240.253 1.432 10 0 BDAERO C[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)CCS1 ZINC000123333511 632075541 /nfs/dbraw/zinc/07/55/41/632075541.db2.gz OJOGHSIBKZCFFT-JTQLQIEISA-N 1 0 244.404 1.729 10 0 BDAERO C[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CCS1 ZINC000308888516 632087209 /nfs/dbraw/zinc/08/72/09/632087209.db2.gz XJQYSQZCFHRYJN-WPRPVWTQSA-N 1 0 228.361 1.078 10 0 BDAERO O=C(NCC1CCC2(CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000829165314 632096245 /nfs/dbraw/zinc/09/62/45/632096245.db2.gz WWKQFCLHZVFZLN-LBPRGKRZSA-N 1 0 236.359 1.683 10 0 BDAERO CCC(=CC(=O)NC[C@@H]1CC[NH2+]C1)CC ZINC000309470592 632101437 /nfs/dbraw/zinc/10/14/37/632101437.db2.gz AKGMXVAYRHYSBR-LLVKDONJSA-N 1 0 210.321 1.459 10 0 BDAERO CCC(=CC(=O)NC[C@H]1CC[NH2+]C1)CC ZINC000309470593 632101740 /nfs/dbraw/zinc/10/17/40/632101740.db2.gz AKGMXVAYRHYSBR-NSHDSACASA-N 1 0 210.321 1.459 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000052270063 632113755 /nfs/dbraw/zinc/11/37/55/632113755.db2.gz HDUPQNMNCJEQQW-SKDRFNHKSA-N 1 0 234.299 1.049 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@]12CCC(C)(C)C2 ZINC000229207920 632528026 /nfs/dbraw/zinc/52/80/26/632528026.db2.gz YUHVKYWIHUEYMP-BXKDBHETSA-N 1 0 211.305 1.575 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)n(C)n1 ZINC000309562722 632533031 /nfs/dbraw/zinc/53/30/31/632533031.db2.gz LMKXERRWPJCOEV-GARJFASQSA-N 1 0 223.320 1.557 10 0 BDAERO OC[C@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CC1 ZINC000309563750 632533519 /nfs/dbraw/zinc/53/35/19/632533519.db2.gz KEVOYHOFBHQFCW-JSGCOSHPSA-N 1 0 217.312 1.687 10 0 BDAERO COC[C@H](C)[NH2+]Cc1ccnc(N(C)C)c1 ZINC000309628007 632592009 /nfs/dbraw/zinc/59/20/09/632592009.db2.gz HBCWYXAWJHQXBN-JTQLQIEISA-N 1 0 223.320 1.272 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2CCCS2)no1 ZINC000235272075 632600188 /nfs/dbraw/zinc/60/01/88/632600188.db2.gz VBZCKDBOZXTATR-IWSPIJDZSA-N 1 0 239.344 1.961 10 0 BDAERO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C ZINC000235290586 632612951 /nfs/dbraw/zinc/61/29/51/632612951.db2.gz DBXHNTCWQRFLJR-OUAUKWLOSA-N 1 0 226.364 1.640 10 0 BDAERO Cc1cc(F)ccc1C[NH2+][C@H](C)[C@H](C)O ZINC000309038948 632621333 /nfs/dbraw/zinc/62/13/33/632621333.db2.gz JYVLORQQLGTHEM-ZJUUUORDSA-N 1 0 211.280 1.993 10 0 BDAERO COCc1ccc(C[NH2+][C@@H](C)[C@@H](C)O)o1 ZINC000309073706 632633501 /nfs/dbraw/zinc/63/35/01/632633501.db2.gz HVUJVZILZUOQRR-DTWKUNHWSA-N 1 0 213.277 1.285 10 0 BDAERO C[C@@H]1COCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000309731409 632661140 /nfs/dbraw/zinc/66/11/40/632661140.db2.gz FHEMKRPFTILKRY-AVGNSLFASA-N 1 0 227.348 1.506 10 0 BDAERO C[C@@H]1COCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000309731411 632661846 /nfs/dbraw/zinc/66/18/46/632661846.db2.gz FHEMKRPFTILKRY-XQQFMLRXSA-N 1 0 227.348 1.506 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCN(C=O)CC1 ZINC000309173660 632663369 /nfs/dbraw/zinc/66/33/69/632663369.db2.gz LZKQZSRVCULOAL-PWSUYJOCSA-N 1 0 210.321 1.385 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCc1cccs1 ZINC000309818597 632673528 /nfs/dbraw/zinc/67/35/28/632673528.db2.gz VVOCTXKIHDRKSY-GXSJLCMTSA-N 1 0 238.356 1.547 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\c1cccs1 ZINC000309178320 632685269 /nfs/dbraw/zinc/68/52/69/632685269.db2.gz DQMBFDKOEWHKFA-KGASVMDVSA-N 1 0 236.340 1.709 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000310301499 632718790 /nfs/dbraw/zinc/71/87/90/632718790.db2.gz BPFPTZWQVGBHLM-MCIONIFRSA-N 1 0 239.359 1.839 10 0 BDAERO COc1ccc(OC)c2c1NC(=O)C[C@H]2C[NH3+] ZINC000057954683 632775188 /nfs/dbraw/zinc/77/51/88/632775188.db2.gz GEGPKAGSRLJDQT-ZETCQYMHSA-N 1 0 236.271 1.088 10 0 BDAERO CC(C)(CO)[NH2+]CCOc1ccccc1 ZINC000052684406 632878477 /nfs/dbraw/zinc/87/84/77/632878477.db2.gz YFYLZUYTDZBKDW-UHFFFAOYSA-N 1 0 209.289 1.426 10 0 BDAERO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]1CO ZINC000309367006 632979937 /nfs/dbraw/zinc/97/99/37/632979937.db2.gz BICCSMCHOFWTHP-SUZMYJTESA-N 1 0 223.291 1.727 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1c(C)cccc1C ZINC000166451733 633113660 /nfs/dbraw/zinc/11/36/60/633113660.db2.gz BZBJOOWDRIVBKA-NEPJUHHUSA-N 1 0 233.311 1.779 10 0 BDAERO CCOc1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC)cc1 ZINC000166502806 633115219 /nfs/dbraw/zinc/11/52/19/633115219.db2.gz CXMAHFXDVQWVEQ-STQMWFEESA-N 1 0 249.310 1.561 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000166588661 633117604 /nfs/dbraw/zinc/11/76/04/633117604.db2.gz DOMNZAIFOUDPJR-NEPJUHHUSA-N 1 0 237.274 1.692 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000166588549 633117716 /nfs/dbraw/zinc/11/77/16/633117716.db2.gz DOMNZAIFOUDPJR-VXGBXAGGSA-N 1 0 237.274 1.692 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(C)c1 ZINC000166614985 633119918 /nfs/dbraw/zinc/11/99/18/633119918.db2.gz JHIPIHFHCQEHKS-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000166616237 633119934 /nfs/dbraw/zinc/11/99/34/633119934.db2.gz BBFYOXHXINVYQZ-OLZOCXBDSA-N 1 0 249.310 1.561 10 0 BDAERO C[C@H]1CCN(c2cncc(Cl)n2)C[C@@H]1C[NH3+] ZINC000167685017 633133072 /nfs/dbraw/zinc/13/30/72/633133072.db2.gz GFTJJIVSXLTONP-IUCAKERBSA-N 1 0 240.738 1.551 10 0 BDAERO Brc1cnc([C@@H]2CC[NH2+]C2)nc1 ZINC000147440569 635920984 /nfs/dbraw/zinc/92/09/84/635920984.db2.gz NJRVMGMEUZMQJE-ZCFIWIBFSA-N 1 0 228.093 1.316 10 0 BDAERO CSCc1cnc(C[NH2+][C@@H](C)[C@H](C)O)s1 ZINC000339398204 636070494 /nfs/dbraw/zinc/07/04/94/636070494.db2.gz CMMAVXMPQSZPTI-YUMQZZPRSA-N 1 0 246.401 1.865 10 0 BDAERO CC[N@@H+](CC(=O)OC)C[C@H]1CCC[C@H](O)C1 ZINC000309240598 633873822 /nfs/dbraw/zinc/87/38/22/633873822.db2.gz APHSLCLMXQCEOM-QWRGUYRKSA-N 1 0 229.320 1.032 10 0 BDAERO Cc1ccc(CCC[NH2+][C@@H](C)[C@@H](C)O)cn1 ZINC000309915355 633936426 /nfs/dbraw/zinc/93/64/26/633936426.db2.gz OZEPDBYCCFLACT-NWDGAFQWSA-N 1 0 222.332 1.682 10 0 BDAERO C[C@@H]1C[C@H]1c1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000309588648 633960869 /nfs/dbraw/zinc/96/08/69/633960869.db2.gz TWNCTGPMZVICIX-OPRDCNLKSA-N 1 0 221.304 1.878 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000309941759 633965051 /nfs/dbraw/zinc/96/50/51/633965051.db2.gz BYGQPBGVHROLLI-DTWKUNHWSA-N 1 0 219.288 1.422 10 0 BDAERO COC1CC([NH2+][C@H](C)CCn2cccn2)C1 ZINC000309959386 633984151 /nfs/dbraw/zinc/98/41/51/633984151.db2.gz KFESUYROHIEIEP-VOMCLLRMSA-N 1 0 223.320 1.429 10 0 BDAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H](C)O ZINC000309974189 634008313 /nfs/dbraw/zinc/00/83/13/634008313.db2.gz RMHGVYSWPSEKOU-AEJSXWLSSA-N 1 0 230.352 1.039 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)CC ZINC000310021614 634079358 /nfs/dbraw/zinc/07/93/58/634079358.db2.gz NPBRDNNBXDIXJI-NWDGAFQWSA-N 1 0 247.404 1.980 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2cc(=O)[nH]c(C)n2)C1 ZINC000162654605 634255637 /nfs/dbraw/zinc/25/56/37/634255637.db2.gz GPXGARCSRMQGLW-SNVBAGLBSA-N 1 0 236.319 1.387 10 0 BDAERO CN(C)c1cc(NCCC(C)(C)[NH3+])ncn1 ZINC000258768591 635196980 /nfs/dbraw/zinc/19/69/80/635196980.db2.gz YOHJZFODLAFJRB-UHFFFAOYSA-N 1 0 223.324 1.082 10 0 BDAERO [NH3+]C1CC(C(=O)NCCc2ccccc2)C1 ZINC000258790508 635202369 /nfs/dbraw/zinc/20/23/69/635202369.db2.gz ROURSWAIECAOTN-UHFFFAOYSA-N 1 0 218.300 1.083 10 0 BDAERO COc1cccc(CNC(=O)C2CC([NH3+])C2)c1 ZINC000258808977 635205823 /nfs/dbraw/zinc/20/58/23/635205823.db2.gz WRWHGWAVQLQHSW-UHFFFAOYSA-N 1 0 234.299 1.049 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)[C@H](C)O ZINC000336762230 635284977 /nfs/dbraw/zinc/28/49/77/635284977.db2.gz NZXWMEYIHHGTGL-KHQFGBGNSA-N 1 0 209.293 1.146 10 0 BDAERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@H](C)O ZINC000336776473 635287411 /nfs/dbraw/zinc/28/74/11/635287411.db2.gz FXNZXZRWIRQGQO-UTLUCORTSA-N 1 0 231.336 1.466 10 0 BDAERO Cc1ccc(OCCN2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000235368001 635575497 /nfs/dbraw/zinc/57/54/97/635575497.db2.gz DNAJAMASFBJYQI-OCCSQVGLSA-N 1 0 234.343 1.653 10 0 BDAERO CC(=O)c1ccc(CN2CC[NH2+]CC2)cc1 ZINC000082643037 636280540 /nfs/dbraw/zinc/28/05/40/636280540.db2.gz IBOKFEDOILQBIB-UHFFFAOYSA-N 1 0 218.300 1.294 10 0 BDAERO CC(C)Cc1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000054301259 636348624 /nfs/dbraw/zinc/34/86/24/636348624.db2.gz CJVQQMABIZBEHR-SNVBAGLBSA-N 1 0 223.320 1.810 10 0 BDAERO CN1CCc2cc(NCC[NH+](C)C)ccc21 ZINC000082711035 636402824 /nfs/dbraw/zinc/40/28/24/636402824.db2.gz RNFOBRKNFPKNSF-UHFFFAOYSA-N 1 0 219.332 1.652 10 0 BDAERO CCC[N@H+](CC)C[C@@H](O)CCC1(O)CCC1 ZINC000669379655 636576312 /nfs/dbraw/zinc/57/63/12/636576312.db2.gz HIACBFWAYZHHER-LBPRGKRZSA-N 1 0 229.364 1.774 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179120806 636676759 /nfs/dbraw/zinc/67/67/59/636676759.db2.gz NLVWDSSVPSOULH-GXTWGEPZSA-N 1 0 246.354 1.686 10 0 BDAERO C[C@H]1OCC[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000149138789 638150057 /nfs/dbraw/zinc/15/00/57/638150057.db2.gz QEXYNXBOFWAMBI-BXKDBHETSA-N 1 0 234.299 1.053 10 0 BDAERO CCc1ccc([C@@H]2CC[NH+]=C(N)N2)cc1 ZINC000149496303 638538414 /nfs/dbraw/zinc/53/84/14/638538414.db2.gz KGSYWDMPLZKEIY-NSHDSACASA-N 1 0 203.289 1.598 10 0 BDAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H](C)O)cc1 ZINC000348322389 639043373 /nfs/dbraw/zinc/04/33/73/639043373.db2.gz IXIJKHPEGVTBRG-SDDRHHMPSA-N 1 0 237.343 1.985 10 0 BDAERO COc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@H](C)O ZINC000348327623 639058884 /nfs/dbraw/zinc/05/88/84/639058884.db2.gz OPOALTXYRULCQH-TUAOUCFPSA-N 1 0 237.343 1.985 10 0 BDAERO C[C@]1(C(=O)NCCC2CCC2)CCCC[NH2+]1 ZINC000163700959 640411170 /nfs/dbraw/zinc/41/11/70/640411170.db2.gz FHSFLVFPQKPFGK-CYBMUJFWSA-N 1 0 224.348 1.825 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc[nH]1 ZINC000164261279 640460009 /nfs/dbraw/zinc/46/00/09/640460009.db2.gz HWBWFNRGHOIVPQ-ONGXEEELSA-N 1 0 209.293 1.050 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000055421499 640470074 /nfs/dbraw/zinc/47/00/74/640470074.db2.gz DFRXXCYBTDEOMI-SECBINFHSA-N 1 0 221.304 1.299 10 0 BDAERO COCc1nc(CN[C@H]2CC[N@H+](C)C2)cs1 ZINC000164401193 640474133 /nfs/dbraw/zinc/47/41/33/640474133.db2.gz ALLFVCQBUIUABA-VIFPVBQESA-N 1 0 241.360 1.083 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1nnc(C)c(C)n1 ZINC000165361952 640565038 /nfs/dbraw/zinc/56/50/38/640565038.db2.gz BIABWANOZPYJAR-NSHDSACASA-N 1 0 235.335 1.067 10 0 BDAERO CC(C)(C)OC(=O)N1CC(CCCC[NH3+])C1 ZINC000166792269 640678200 /nfs/dbraw/zinc/67/82/00/640678200.db2.gz ARXILKDHBYZMHT-UHFFFAOYSA-N 1 0 228.336 1.982 10 0 BDAERO CN1CCN(C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000225318050 640682888 /nfs/dbraw/zinc/68/28/88/640682888.db2.gz PTTWVYREJTWOGB-HNNXBMFYSA-N 1 0 247.386 1.065 10 0 BDAERO CC(C)[C@@H]([NH3+])c1nc(C(C)(C)C)nn1C ZINC000054698682 640710802 /nfs/dbraw/zinc/71/08/02/640710802.db2.gz RFDNCZZDRQYZPV-MRVPVSSYSA-N 1 0 210.325 1.768 10 0 BDAERO CC[C@H]1CC[NH2+][C@H](C(C(C)=O)C(C)=O)C1 ZINC000167560363 640731754 /nfs/dbraw/zinc/73/17/54/640731754.db2.gz AMTHLLMLRGSSFO-QWRGUYRKSA-N 1 0 211.305 1.559 10 0 BDAERO CO[C@H](c1noc([C@]2(C)CC[NH2+]C2)n1)C1CC1 ZINC000227332056 640827840 /nfs/dbraw/zinc/82/78/40/640827840.db2.gz DLJCOSCSAFHWQQ-JOYOIKCWSA-N 1 0 237.303 1.418 10 0 BDAERO CCc1cc(NC[C@@H]2CC[C@H]([NH3+])C2)nc(C)n1 ZINC000227642903 640843403 /nfs/dbraw/zinc/84/34/03/640843403.db2.gz RWGWVNRPPCBJPX-MNOVXSKESA-N 1 0 234.347 1.887 10 0 BDAERO [NH3+][C@@H]1CC[C@H](CNc2ncncc2Cl)C1 ZINC000227645874 640843553 /nfs/dbraw/zinc/84/35/53/640843553.db2.gz FMXUFLZRRFFARG-JGVFFNPUSA-N 1 0 226.711 1.669 10 0 BDAERO CC(C)[C@H](O)CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000227843493 640851486 /nfs/dbraw/zinc/85/14/86/640851486.db2.gz SYOMSLPRYVSKFC-GMTAPVOTSA-N 1 0 201.310 1.160 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCCCCCO)C[C@@H]1C ZINC000228699211 640890633 /nfs/dbraw/zinc/89/06/33/640890633.db2.gz GUICXYLSYGVYOA-RYUDHWBXSA-N 1 0 243.347 1.280 10 0 BDAERO [NH3+][C@H]1CC[C@@H](c2nc(-c3cscn3)no2)C1 ZINC000087588667 640932891 /nfs/dbraw/zinc/93/28/91/640932891.db2.gz CEYZZCKFCFRIBM-RQJHMYQMSA-N 1 0 236.300 1.788 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(CC2CC2)no1 ZINC000087580432 640933077 /nfs/dbraw/zinc/93/30/77/640933077.db2.gz WBVZOXWWNAVHIX-ZJUUUORDSA-N 1 0 221.304 1.865 10 0 BDAERO C(OC1C[NH2+]C1)[C@H]1CCC2(CCCC2)O1 ZINC000229345947 640949892 /nfs/dbraw/zinc/94/98/92/640949892.db2.gz KMAKEWUNTWRGDP-SNVBAGLBSA-N 1 0 211.305 1.467 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc([C@@H]2CCCOC2)no1 ZINC000087815840 641054187 /nfs/dbraw/zinc/05/41/87/641054187.db2.gz IJLUNWIWDOZWIB-ZJUUUORDSA-N 1 0 239.319 1.489 10 0 BDAERO O[C@H](C[NH2+]C1CCCC1)CN1CCCCC1 ZINC000238120632 641153089 /nfs/dbraw/zinc/15/30/89/641153089.db2.gz XLHIIOKUHUHMQW-CYBMUJFWSA-N 1 0 226.364 1.365 10 0 BDAERO Cn1nc(C2CCCCC2)nc1CCC[NH3+] ZINC000054699415 641154394 /nfs/dbraw/zinc/15/43/94/641154394.db2.gz NBQBRTFTXKTAGH-UHFFFAOYSA-N 1 0 222.336 1.754 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)C[C@H]([NH3+])C2CC2)o1 ZINC000231744613 641201839 /nfs/dbraw/zinc/20/18/39/641201839.db2.gz BNXGQIYFQWGAQG-SCZZXKLOSA-N 1 0 237.303 1.288 10 0 BDAERO CCCCCC[C@H](C)NC(=O)[C@H]([NH3+])COC ZINC000088003120 641223389 /nfs/dbraw/zinc/22/33/89/641223389.db2.gz SBTIVPOMOIEQJT-WDEREUQCSA-N 1 0 230.352 1.435 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C)O2)C[C@@H]1C ZINC000232030181 641233978 /nfs/dbraw/zinc/23/39/78/641233978.db2.gz OQHMNQGRLBYUEH-WHOHXGKFSA-N 1 0 241.331 1.295 10 0 BDAERO CC[C@H](O)C[NH+]1CCN(C/C=C/Cl)CC1 ZINC000174086856 641240751 /nfs/dbraw/zinc/24/07/51/641240751.db2.gz VXRSVPKCQNYOPJ-UFFNRZRYSA-N 1 0 232.755 1.127 10 0 BDAERO CCC(=O)NC1(CCC[NH3+])CCCCC1 ZINC000675074432 641325659 /nfs/dbraw/zinc/32/56/59/641325659.db2.gz XIGYXCYIOCFSEN-UHFFFAOYSA-N 1 0 212.337 1.954 10 0 BDAERO [NH3+][C@H]1CC[C@H](c2nc(-c3ccncn3)no2)C1 ZINC000156261294 641602183 /nfs/dbraw/zinc/60/21/83/641602183.db2.gz DUEZVGHPLYNJMT-YUMQZZPRSA-N 1 0 231.259 1.121 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158544284 641639866 /nfs/dbraw/zinc/63/98/66/641639866.db2.gz RHHPMEDVWCEPPA-TZMCWYRMSA-N 1 0 246.354 1.815 10 0 BDAERO CCC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000190216382 641850634 /nfs/dbraw/zinc/85/06/34/641850634.db2.gz MLBDOMOSIVNJDZ-VIFPVBQESA-N 1 0 201.335 1.793 10 0 BDAERO CCCc1noc(CCC2CC[NH2+]CC2)n1 ZINC000050928202 642376367 /nfs/dbraw/zinc/37/63/67/642376367.db2.gz MRYCMIFXUMCWSP-UHFFFAOYSA-N 1 0 223.320 1.954 10 0 BDAERO C[C@@H]1CN(c2cccc(Cl)n2)[C@H](C)C[NH2+]1 ZINC000033906537 642441364 /nfs/dbraw/zinc/44/13/64/642441364.db2.gz IAEOFGLMAWBYPN-RKDXNWHRSA-N 1 0 225.723 1.922 10 0 BDAERO CC[C@@H]1OCC[C@@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000233933990 642711007 /nfs/dbraw/zinc/71/10/07/642711007.db2.gz HXDZQZPCFMZDMG-QWRGUYRKSA-N 1 0 240.347 1.012 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1cscn1 ZINC000306181772 642728248 /nfs/dbraw/zinc/72/82/48/642728248.db2.gz VLNCSQJEDYPCAC-CBAPKCEASA-N 1 0 215.297 1.014 10 0 BDAERO [NH3+]C[C@@H]1c2ccccc2CCN1C[C@@H]1CCCO1 ZINC000069311625 642850514 /nfs/dbraw/zinc/85/05/14/642850514.db2.gz NTPCMBMKRDTZSB-DZGCQCFKSA-N 1 0 246.354 1.724 10 0 BDAERO C[C@H]1CN(c2nccnc2Cl)C[C@H]1[NH+](C)C ZINC000251567493 642881071 /nfs/dbraw/zinc/88/10/71/642881071.db2.gz BWLLPBBYHJFCDR-DTWKUNHWSA-N 1 0 240.738 1.516 10 0 BDAERO CSCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000070004576 642950556 /nfs/dbraw/zinc/95/05/56/642950556.db2.gz OIHFUBWBPOHAJR-QMMMGPOBSA-N 1 0 227.333 1.475 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)[C@@H]1CCCO1 ZINC000279113797 643033057 /nfs/dbraw/zinc/03/30/57/643033057.db2.gz WLEDFQOUCHAZNG-UTLUCORTSA-N 1 0 209.293 1.628 10 0 BDAERO CCN(c1ncnc2sccc21)[C@H]1CC[NH2+]C1 ZINC000071314327 643126217 /nfs/dbraw/zinc/12/62/17/643126217.db2.gz ZTHPYWAFYCTFAW-VIFPVBQESA-N 1 0 248.355 1.880 10 0 BDAERO CNC(=O)[C@H]([NH2+]CCc1cccs1)C(C)C ZINC000183679314 643154781 /nfs/dbraw/zinc/15/47/81/643154781.db2.gz BDHJGAUDIRELFL-LLVKDONJSA-N 1 0 240.372 1.651 10 0 BDAERO CCC1(CC)C[NH2+][C@]2(CCN(C)C2)OC1 ZINC000757151984 643344059 /nfs/dbraw/zinc/34/40/59/643344059.db2.gz UNUFOEYPSMHXLW-GFCCVEGCSA-N 1 0 212.337 1.444 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ncccc1Br ZINC000082592602 643351382 /nfs/dbraw/zinc/35/13/82/643351382.db2.gz GLAHFNYCHKWKJH-ZETCQYMHSA-N 1 0 244.136 1.628 10 0 BDAERO CC(C)(C)OC(=O)C[C@H]([NH3+])Cc1nccs1 ZINC000757171222 643354353 /nfs/dbraw/zinc/35/43/53/643354353.db2.gz QNQMPBGNNCPSEB-MRVPVSSYSA-N 1 0 242.344 1.745 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000082644732 643360995 /nfs/dbraw/zinc/36/09/95/643360995.db2.gz STCMUQBNAQBYFW-LBPRGKRZSA-N 1 0 221.304 1.184 10 0 BDAERO CCOC(=O)[C@H]1CCC[NH2+][C@@H]1C1CCOCC1 ZINC000757211047 643370778 /nfs/dbraw/zinc/37/07/78/643370778.db2.gz IZVMQMCUFCGFPD-NWDGAFQWSA-N 1 0 241.331 1.344 10 0 BDAERO CCOC(=O)[C@](C)([NH3+])C[C@H](C)n1ccnc1 ZINC000082800121 643382805 /nfs/dbraw/zinc/38/28/05/643382805.db2.gz ARYQAEGUGFLWIS-GXSJLCMTSA-N 1 0 225.292 1.115 10 0 BDAERO CC[C@H]1CCCC[C@@]1(C[NH3+])OCCO ZINC000234063583 643393525 /nfs/dbraw/zinc/39/35/25/643393525.db2.gz DEITVGQDQAQLQD-QWRGUYRKSA-N 1 0 201.310 1.293 10 0 BDAERO C[C@H]1CC(C)(C)C[C@@](C[NH3+])(OCCO)C1 ZINC000235552168 643420805 /nfs/dbraw/zinc/42/08/05/643420805.db2.gz TZVJQZIIGGXGBJ-JQWIXIFHSA-N 1 0 215.337 1.539 10 0 BDAERO C/C=C/C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000082725318 643521043 /nfs/dbraw/zinc/52/10/43/643521043.db2.gz OVIJQMMWDYFWMY-NDYVEPOPSA-N 1 0 222.332 1.648 10 0 BDAERO C[C@@H](C[NH3+])c1noc(C(C)(Cl)Cl)n1 ZINC000307694601 643581510 /nfs/dbraw/zinc/58/15/10/643581510.db2.gz XJAOYYYDLBGEFP-BYPYZUCNSA-N 1 0 224.091 1.782 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1nnc(C)s1 ZINC000083584749 643590367 /nfs/dbraw/zinc/59/03/67/643590367.db2.gz XKLCYCQUOZOKFM-VIFPVBQESA-N 1 0 226.349 1.425 10 0 BDAERO C[NH2+]CC1CCN(c2nc(C)ns2)CC1 ZINC000083649068 643603296 /nfs/dbraw/zinc/60/32/96/643603296.db2.gz QHSBLYYCRWPLJO-UHFFFAOYSA-N 1 0 226.349 1.282 10 0 BDAERO C1C[C@@H](c2nc([C@@H]3CCCOC3)no2)C[NH2+]1 ZINC000083720305 643621813 /nfs/dbraw/zinc/62/18/13/643621813.db2.gz SZIZKPAQCUSMPP-RKDXNWHRSA-N 1 0 223.276 1.041 10 0 BDAERO CCC[C@@H](N)c1nc([C@@H]2CCCOC2)no1 ZINC000083720203 643622918 /nfs/dbraw/zinc/62/29/18/643622918.db2.gz GCPCRWBSKCRGHG-RKDXNWHRSA-N 1 0 225.292 1.764 10 0 BDAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)[C@H](C)O)o1 ZINC000349328797 643644941 /nfs/dbraw/zinc/64/49/41/643644941.db2.gz HMCKAMRYRWCNBQ-UWVGGRQHSA-N 1 0 249.314 1.837 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000084301011 643657801 /nfs/dbraw/zinc/65/78/01/643657801.db2.gz HCDUWILHJYLZGX-GHMZBOCLSA-N 1 0 210.321 1.374 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301156 643658202 /nfs/dbraw/zinc/65/82/02/643658202.db2.gz RNHQUVBTRCPPRJ-HBNTYKKESA-N 1 0 212.337 1.666 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1nc(C)cc(C)n1 ZINC000053706725 643662080 /nfs/dbraw/zinc/66/20/80/643662080.db2.gz YJZOTRNWWXDDMZ-GFCCVEGCSA-N 1 0 234.347 1.672 10 0 BDAERO [NH3+]C1CC(CNC(=O)CCC2CCCC2)C1 ZINC000084446970 643663226 /nfs/dbraw/zinc/66/32/26/643663226.db2.gz ZRYCLZDVMVCULL-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccccc2)C1 ZINC000084446882 643664224 /nfs/dbraw/zinc/66/42/24/643664224.db2.gz IINYVCGJKBQVJR-UHFFFAOYSA-N 1 0 204.273 1.154 10 0 BDAERO CC[N@@H+]1CCCN(C(=O)OC(C)C)[C@@H](C)C1 ZINC000320681873 643766643 /nfs/dbraw/zinc/76/66/43/643766643.db2.gz LKLGLJNXCCXPGC-NSHDSACASA-N 1 0 228.336 1.948 10 0 BDAERO C/C=C/C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000082303975 644366555 /nfs/dbraw/zinc/36/65/55/644366555.db2.gz CAQKDWHIXDRDPR-DGXRNCNBSA-N 1 0 208.305 1.259 10 0 BDAERO CC(C)(C)[C@@H](CN)[NH2+]C[C@@H]1CCCO1 ZINC000083774181 644408489 /nfs/dbraw/zinc/40/84/89/644408489.db2.gz KTNMXXMFJKIBMQ-VHSXEESVSA-N 1 0 200.326 1.128 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087222249 644481879 /nfs/dbraw/zinc/48/18/79/644481879.db2.gz JKDVPLSFVXQOGF-ZRUFSTJUSA-N 1 0 210.321 1.419 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087222244 644482210 /nfs/dbraw/zinc/48/22/10/644482210.db2.gz JKDVPLSFVXQOGF-VLEAKVRGSA-N 1 0 210.321 1.419 10 0 BDAERO CCC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000685946245 644517724 /nfs/dbraw/zinc/51/77/24/644517724.db2.gz GSSFFGCRBCANCO-SNVBAGLBSA-N 1 0 210.321 1.516 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000089386793 644546044 /nfs/dbraw/zinc/54/60/44/644546044.db2.gz LWJIBBUFTRTNMB-SRVKXCTJSA-N 1 0 240.347 1.047 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC000089752340 644564835 /nfs/dbraw/zinc/56/48/35/644564835.db2.gz ISGKZGXJRCWCLM-CMPLNLGQSA-N 1 0 246.310 1.451 10 0 BDAERO Cc1ccc(C)c(C(=O)NCC2CC([NH3+])C2)c1 ZINC000091525084 644630297 /nfs/dbraw/zinc/63/02/97/644630297.db2.gz KYKFRBYJKPLNEO-UHFFFAOYSA-N 1 0 232.327 1.771 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCc2ccccn2)C[C@H]1C ZINC000094996369 644735234 /nfs/dbraw/zinc/73/52/34/644735234.db2.gz UTEMXPIYKRVVBH-YPMHNXCESA-N 1 0 248.326 1.365 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCc2ccncc2)C[C@H]1C ZINC000094996858 644737392 /nfs/dbraw/zinc/73/73/92/644737392.db2.gz AFGYNKOOVXQYLP-YPMHNXCESA-N 1 0 248.326 1.365 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc(F)c(F)cc1F ZINC000095638369 644759825 /nfs/dbraw/zinc/75/98/25/644759825.db2.gz YWIOSOFNZVAHAR-VIFPVBQESA-N 1 0 233.189 1.667 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1C[C@H]1CCCO1 ZINC000250732225 644777366 /nfs/dbraw/zinc/77/73/66/644777366.db2.gz KTKSQRFEJTYOQG-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO [NH3+][C@@H]1Cc2ccccc2N(C[C@H]2CCCO2)C1 ZINC000250835541 644782745 /nfs/dbraw/zinc/78/27/45/644782745.db2.gz AFBBGSMRAKXTFP-CHWSQXEVSA-N 1 0 232.327 1.555 10 0 BDAERO C[C@@H]1CN([C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000251836171 644825632 /nfs/dbraw/zinc/82/56/32/644825632.db2.gz PZRLPKYKBIJCPZ-KWCYVHTRSA-N 1 0 216.328 1.836 10 0 BDAERO C[C@H]1CCCN(c2ncnc3c2CCC3)[C@H]1C[NH3+] ZINC000252214868 644841888 /nfs/dbraw/zinc/84/18/88/644841888.db2.gz XJLJJZGIZUUMAL-GWCFXTLKSA-N 1 0 246.358 1.529 10 0 BDAERO CC(C)Cc1noc(CC[C@H]2CCC[NH2+]2)n1 ZINC000096873930 644844182 /nfs/dbraw/zinc/84/41/82/644844182.db2.gz AZBZPOYJYFVVAB-SNVBAGLBSA-N 1 0 223.320 1.953 10 0 BDAERO CCCOc1ccnc(NC[C@@H](C)[NH2+]C)n1 ZINC000304299915 644889399 /nfs/dbraw/zinc/88/93/99/644889399.db2.gz OUIJCXRSBUEWIK-SECBINFHSA-N 1 0 224.308 1.285 10 0 BDAERO CO[C@H]1CCC[C@@H]1[NH2+]CCn1cc(C)cn1 ZINC000304309550 644890162 /nfs/dbraw/zinc/89/01/62/644890162.db2.gz ASZVDJYATJFALU-RYUDHWBXSA-N 1 0 223.320 1.349 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1(Cl)CC1 ZINC000723601064 711523539 /nfs/dbraw/zinc/52/35/39/711523539.db2.gz XSIVZKIPZGFRJR-RKDXNWHRSA-N 1 0 230.739 1.214 10 0 BDAERO [NH3+]C1CC(CNC(=O)C(C2CC2)C2CC2)C1 ZINC000304491931 644911344 /nfs/dbraw/zinc/91/13/44/644911344.db2.gz PLLWUNIUAQDWKR-UHFFFAOYSA-N 1 0 222.332 1.276 10 0 BDAERO Cc1nc(-c2noc([C@@H]3CC[NH2+]C3)n2)co1 ZINC000304497916 644912290 /nfs/dbraw/zinc/91/22/90/644912290.db2.gz MXRRFBIBQAKLFE-SSDOTTSWSA-N 1 0 220.232 1.110 10 0 BDAERO C[C@H]1[NH2+]CC[C@@H]1c1nc(CC2CCC2)no1 ZINC000304593222 644920128 /nfs/dbraw/zinc/92/01/28/644920128.db2.gz LIJGWPOPXDIGAA-SCZZXKLOSA-N 1 0 221.304 1.878 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1nnc(C(F)F)s1 ZINC000723825852 711537747 /nfs/dbraw/zinc/53/77/47/711537747.db2.gz GOXPHQMGKNKZCB-RITPCOANSA-N 1 0 248.302 1.743 10 0 BDAERO C[C@H]1CCC(=O)CN1C[C@H]1CCC[N@@H+]1C ZINC000725639801 711667464 /nfs/dbraw/zinc/66/74/64/711667464.db2.gz ZNSWADCYFMBBAM-WDEREUQCSA-N 1 0 210.321 1.134 10 0 BDAERO Cc1c(CNCC[C@H](C)[NH+](C)C)cnn1C ZINC000700562126 711846879 /nfs/dbraw/zinc/84/68/79/711846879.db2.gz ACWWHXBHWUJPDJ-JTQLQIEISA-N 1 0 224.352 1.158 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000700012896 711982981 /nfs/dbraw/zinc/98/29/81/711982981.db2.gz JPGXTQNKRGUBQF-OPRDCNLKSA-N 1 0 212.337 1.393 10 0 BDAERO CCC(CC)c1noc([C@H]2C[NH2+]CCOC2)n1 ZINC000700369880 711990798 /nfs/dbraw/zinc/99/07/98/711990798.db2.gz HTTKHOOXVMFVQQ-JTQLQIEISA-N 1 0 239.319 1.677 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2cnc(Cl)n2C)C1 ZINC000709236305 712218170 /nfs/dbraw/zinc/21/81/70/712218170.db2.gz YNHZEBXXSGTORK-VIFPVBQESA-N 1 0 242.754 1.257 10 0 BDAERO CN(CCCCCC[NH3+])C(=O)CC(F)(F)F ZINC000710696709 712254822 /nfs/dbraw/zinc/25/48/22/712254822.db2.gz ZZCCKJQZQFDULO-UHFFFAOYSA-N 1 0 240.269 1.916 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710883669 712261204 /nfs/dbraw/zinc/26/12/04/712261204.db2.gz NUJMEQNVORDPRM-GMTAPVOTSA-N 1 0 212.337 1.665 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC1(OC)OC ZINC000710956324 712267623 /nfs/dbraw/zinc/26/76/23/712267623.db2.gz FGHYWFJYAYQWLS-GMTAPVOTSA-N 1 0 213.321 1.916 10 0 BDAERO COC1(OC)CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CO ZINC000710963164 712268857 /nfs/dbraw/zinc/26/88/57/712268857.db2.gz COKICQRYXVWTBH-SRVKXCTJSA-N 1 0 243.347 1.279 10 0 BDAERO OC1CC(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711090315 712279702 /nfs/dbraw/zinc/27/97/02/712279702.db2.gz NHYUQBIOURIBQG-ZMFKDXALSA-N 1 0 209.333 1.926 10 0 BDAERO NC(=O)C1CC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711092182 712280350 /nfs/dbraw/zinc/28/03/50/712280350.db2.gz XLZXHNJFCBKXGK-NWBXKSJZSA-N 1 0 222.332 1.419 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCOC3CC3)C[C@@H]2C1 ZINC000711655073 712314250 /nfs/dbraw/zinc/31/42/50/712314250.db2.gz CDQBBJKOQLXMTO-SDDRHHMPSA-N 1 0 225.332 1.258 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000712085918 712340494 /nfs/dbraw/zinc/34/04/94/712340494.db2.gz UEWLJMIXOZLLSG-QTKMDUPCSA-N 1 0 222.332 1.371 10 0 BDAERO OC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000378699955 712358561 /nfs/dbraw/zinc/35/85/61/712358561.db2.gz MUPRKSGDWKAOCI-MGPQQGTHSA-N 1 0 241.375 1.632 10 0 BDAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)n(C)n1 ZINC000378786433 712361444 /nfs/dbraw/zinc/36/14/44/712361444.db2.gz LMKXERRWPJCOEV-GMTAPVOTSA-N 1 0 223.320 1.557 10 0 BDAERO C[C@@H]([NH2+]Cc1cnn(C)c1Cl)[C@H]1CCCO1 ZINC000378862282 712364259 /nfs/dbraw/zinc/36/42/59/712364259.db2.gz SPKVIVKSBIRXBP-PSASIEDQSA-N 1 0 243.738 1.731 10 0 BDAERO CC[N@@H+]1CC[C@H](NCc2cnn(C)c2Cl)C1 ZINC000712456779 712430617 /nfs/dbraw/zinc/43/06/17/712430617.db2.gz ZSMCGSHSPNEFFW-JTQLQIEISA-N 1 0 242.754 1.257 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712499096 712431012 /nfs/dbraw/zinc/43/10/12/712431012.db2.gz VTBZUFQWSSFYCN-CHWSQXEVSA-N 1 0 239.359 1.792 10 0 BDAERO CCN1CC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000712580668 712433566 /nfs/dbraw/zinc/43/35/66/712433566.db2.gz IYBGYDXZHOCVTQ-YVECIDJPSA-N 1 0 238.375 1.484 10 0 BDAERO C=C/C=C/CC[NH2+]Cc1c(C)nn(C)c1OC ZINC000713499755 712463689 /nfs/dbraw/zinc/46/36/89/712463689.db2.gz UQUYHRPZPZATNX-VOTSOKGWSA-N 1 0 235.331 1.959 10 0 BDAERO CC1(C)CC[C@@H](C[N@@H+]2CC[C@@H](CCO)C2)OC1 ZINC000713571832 712465447 /nfs/dbraw/zinc/46/54/47/712465447.db2.gz VMOKZSBNWGVVDT-STQMWFEESA-N 1 0 241.375 1.896 10 0 BDAERO CC1(C)CC[C@H](C[N@@H+]2CC[C@@H](CCO)C2)OC1 ZINC000713571830 712465620 /nfs/dbraw/zinc/46/56/20/712465620.db2.gz VMOKZSBNWGVVDT-QWHCGFSZSA-N 1 0 241.375 1.896 10 0 BDAERO CC(C)(CO)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000713608417 712466721 /nfs/dbraw/zinc/46/67/21/712466721.db2.gz YPLUADZVWPZHBH-SNVBAGLBSA-N 1 0 215.337 1.552 10 0 BDAERO C=C/C=C\CC[NH2+]CC1(O)CCOCC1 ZINC000713699818 712469499 /nfs/dbraw/zinc/46/94/99/712469499.db2.gz KJJFEMCBYFZXMR-ARJAWSKDSA-N 1 0 211.305 1.250 10 0 BDAERO COCC1CC([NH2+]Cc2cccc(OC)n2)C1 ZINC000713935781 712474236 /nfs/dbraw/zinc/47/42/36/712474236.db2.gz QGHIZRROATYBJT-UHFFFAOYSA-N 1 0 236.315 1.605 10 0 BDAERO CN(C(=O)[C@H]1CO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000713932490 712473815 /nfs/dbraw/zinc/47/38/15/712473815.db2.gz VNPHRHXSLQBLJJ-PWSUYJOCSA-N 1 0 240.347 1.141 10 0 BDAERO COCC1CC([NH2+]Cc2nc(C)c[nH]2)C1 ZINC000713983852 712475907 /nfs/dbraw/zinc/47/59/07/712475907.db2.gz FNXNRYQOUKJGPS-UHFFFAOYSA-N 1 0 209.293 1.233 10 0 BDAERO COCC1CC([NH2+][C@H]2CCC2(OC)OC)C1 ZINC000713962587 712475181 /nfs/dbraw/zinc/47/51/81/712475181.db2.gz TZPGDAUORLZGCS-ILDUYXDCSA-N 1 0 229.320 1.153 10 0 BDAERO CCCn1cc(C[NH2+][C@H](C)[C@H]2CCCO2)nn1 ZINC000714404996 712485058 /nfs/dbraw/zinc/48/50/58/712485058.db2.gz UJNOLBNGCMFGNY-ZYHUDNBSSA-N 1 0 238.335 1.345 10 0 BDAERO O=C(NCC(F)F)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715498359 712523414 /nfs/dbraw/zinc/52/34/14/712523414.db2.gz VGDZQNOQAMWOFQ-LDYMZIIASA-N 1 0 232.274 1.148 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cn(C)nn1 ZINC000715892723 712540770 /nfs/dbraw/zinc/54/07/70/712540770.db2.gz NVBBGBSXBQCUHK-GARJFASQSA-N 1 0 238.335 1.017 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)[C@@H]1CCCO1 ZINC000715913539 712541558 /nfs/dbraw/zinc/54/15/58/712541558.db2.gz RIPNHJLPEKLWJD-NGZCFLSTSA-N 1 0 224.308 1.033 10 0 BDAERO Cc1sccc1C[NH2+]C1CC(C(N)=O)C1 ZINC000716745137 712571866 /nfs/dbraw/zinc/57/18/66/712571866.db2.gz JPTJLTNNJKUVLK-UHFFFAOYSA-N 1 0 224.329 1.410 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1nccs1 ZINC000716746435 712571923 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230.315 1.722 10 0 BDAERO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)CCO1 ZINC000721593272 711656052 /nfs/dbraw/zinc/65/60/52/711656052.db2.gz JFNNKAAVJBVBAO-AXFHLTTASA-N 1 0 240.347 1.058 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@H]2C[C@H](C)CO2)n1 ZINC000718425049 711657433 /nfs/dbraw/zinc/65/74/33/711657433.db2.gz FBICHUNWKFPKFL-XLPZGREQSA-N 1 0 211.265 1.229 10 0 BDAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000309342550 711675212 /nfs/dbraw/zinc/67/52/12/711675212.db2.gz LBBNQGSLCSYQBP-QNWHQSFQSA-N 1 0 227.348 1.695 10 0 BDAERO CS/C=C\C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309381997 711677880 /nfs/dbraw/zinc/67/78/80/711677880.db2.gz DLQMNPJANFTCRV-KXEGTFGRSA-N 1 0 226.345 1.059 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000334207332 711714102 /nfs/dbraw/zinc/71/41/02/711714102.db2.gz BYXPJBBKASXBAC-WCQYABFASA-N 1 0 248.374 1.861 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000313544575 711727546 /nfs/dbraw/zinc/72/75/46/711727546.db2.gz AHFILCSCQRQMLI-KFWWJZLASA-N 1 0 249.354 1.861 10 0 BDAERO CC(=O)[C@H]1CCC[N@@H+](CCCc2cncn2C)C1 ZINC000314421042 711739285 /nfs/dbraw/zinc/73/92/85/711739285.db2.gz XQMPQRKUMOKSRK-ZDUSSCGKSA-N 1 0 249.358 1.654 10 0 BDAERO Cc1cc(N[C@H]2CNOC2)c2ccccc2[nH+]1 ZINC000722501467 711760108 /nfs/dbraw/zinc/76/01/08/711760108.db2.gz PRUGISBESAVECY-JTQLQIEISA-N 1 0 229.283 1.280 10 0 BDAERO COc1cccnc1N[C@H]1C[NH2+]CC1(C)C ZINC000721935961 711940711 /nfs/dbraw/zinc/94/07/11/711940711.db2.gz VQVUZAMKCKWZAZ-JTQLQIEISA-N 1 0 221.304 1.500 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000121125064 711945539 /nfs/dbraw/zinc/94/55/39/711945539.db2.gz QWPZDKVLKIEFRF-UMNHJUIQSA-N 1 0 210.321 1.433 10 0 BDAERO CCCc1nccnc1N(C)C[C@@H](C)[NH3+] ZINC000700212254 711988239 /nfs/dbraw/zinc/98/82/39/711988239.db2.gz QNXKDVOARSHKTI-SECBINFHSA-N 1 0 208.309 1.213 10 0 BDAERO C1CC12C[C@H]2c1noc([C@H]2C[NH2+]CCOC2)n1 ZINC000700371452 711990298 /nfs/dbraw/zinc/99/02/98/711990298.db2.gz 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/nfs/dbraw/zinc/01/49/09/712014909.db2.gz BVZJVHVMTUEDQQ-ULKQDVFKSA-N 1 0 249.289 1.234 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccnc1F ZINC000701095381 712015074 /nfs/dbraw/zinc/01/50/74/712015074.db2.gz RQYQBRPPHBBREZ-WCBMZHEXSA-N 1 0 237.278 1.091 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cccnc1F ZINC000701094253 712015084 /nfs/dbraw/zinc/01/50/84/712015084.db2.gz MBKFPPNJJUCNFU-PSASIEDQSA-N 1 0 237.278 1.078 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)n1 ZINC000701110638 712015634 /nfs/dbraw/zinc/01/56/34/712015634.db2.gz RTZZKXGQHCTIGX-IUCAKERBSA-N 1 0 237.278 1.078 10 0 BDAERO CO[C@H](c1nc([C@H](C)C[NH3+])no1)C1CCC1 ZINC000701373661 712021435 /nfs/dbraw/zinc/02/14/35/712021435.db2.gz UOOSMTSFHFOYOS-APPZFPTMSA-N 1 0 225.292 1.619 10 0 BDAERO C1CC12C[C@H]2c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000701643528 712025553 /nfs/dbraw/zinc/02/55/53/712025553.db2.gz ACXONLHYDWIMMO-BHDSKKPTSA-N 1 0 245.326 1.978 10 0 BDAERO C[C@H]1C[C@@H]1c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000701674289 712026502 /nfs/dbraw/zinc/02/65/02/712026502.db2.gz PLJFFJKYMBXUNI-YVNDNENWSA-N 1 0 233.315 1.834 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nccc(C(C)(C)C)n1 ZINC000701891520 712031978 /nfs/dbraw/zinc/03/19/78/712031978.db2.gz SFSNJGMXIHXZDN-SECBINFHSA-N 1 0 222.336 1.794 10 0 BDAERO CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)c1ccccc1 ZINC000702340271 712047701 /nfs/dbraw/zinc/04/77/01/712047701.db2.gz IKHLLBHZDXVYEH-QWHCGFSZSA-N 1 0 249.358 1.143 10 0 BDAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(-c3ccoc3)no2)C1 ZINC000702724297 712060756 /nfs/dbraw/zinc/06/07/56/712060756.db2.gz KMZOMOWEFZQTQJ-BXKDBHETSA-N 1 0 249.270 1.553 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000705487566 712131915 /nfs/dbraw/zinc/13/19/15/712131915.db2.gz NJISGECXWGYHAY-YUELXQCFSA-N 1 0 249.354 1.955 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000706718095 712152532 /nfs/dbraw/zinc/15/25/32/712152532.db2.gz OMSAVHZMFLOVGS-QWHCGFSZSA-N 1 0 227.348 1.839 10 0 BDAERO CSC1CC([NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000706765125 712154642 /nfs/dbraw/zinc/15/46/42/712154642.db2.gz MWFSIGZJCQRYFD-KYHHOPLUSA-N 1 0 231.361 1.622 10 0 BDAERO CSC1CC([NH2+]Cc2nc(C)c[nH]2)C1 ZINC000706818326 712156509 /nfs/dbraw/zinc/15/65/09/712156509.db2.gz YZYBCAPFHJQICY-UHFFFAOYSA-N 1 0 211.334 1.702 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000706991147 712164295 /nfs/dbraw/zinc/16/42/95/712164295.db2.gz JSNQIWXNHHAUMC-QJPTWQEYSA-N 1 0 213.321 1.258 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](O)C2)C[C@H]1CO ZINC000708713659 712197608 /nfs/dbraw/zinc/19/76/08/712197608.db2.gz DZLAJRJMUCPYBP-MROQNXINSA-N 1 0 227.348 1.098 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@@H]1C[NH3+] ZINC000708848475 712200581 /nfs/dbraw/zinc/20/05/81/712200581.db2.gz JREGDGMHQYENOH-KWKBKKAHSA-N 1 0 234.299 1.346 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2cccnc2)C[C@H]1C[NH3+] ZINC000708841542 712200738 /nfs/dbraw/zinc/20/07/38/712200738.db2.gz SBNFTPQRNMALPN-FTGSRHIXSA-N 1 0 245.326 1.148 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C/c2ccccc2)C[C@@H]1C[NH3+] ZINC000708868384 712201965 /nfs/dbraw/zinc/20/19/65/712201965.db2.gz OVNJEHZTRVLTMK-KHAURHHGSA-N 1 0 244.338 1.753 10 0 BDAERO C[C@H]1CN(Cc2ccc(Cl)cn2)C[C@@H]1C[NH3+] ZINC000708874102 712202147 /nfs/dbraw/zinc/20/21/47/712202147.db2.gz CRCDLJZNPJPNKJ-UWVGGRQHSA-N 1 0 239.750 1.762 10 0 BDAERO C[C@H](C[N@@H+]1CCO[C@@H](CO)C1)CC(C)(C)C ZINC000709161753 712211134 /nfs/dbraw/zinc/21/11/34/712211134.db2.gz HLKSTASQVITBGF-NWDGAFQWSA-N 1 0 229.364 1.752 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2ccccc2NC)C1 ZINC000709209745 712217952 /nfs/dbraw/zinc/21/79/52/712217952.db2.gz UVEHBCAHASMIRK-ZDUSSCGKSA-N 1 0 233.359 1.912 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2cnc(Cl)n2C)C1 ZINC000709236300 712218015 /nfs/dbraw/zinc/21/80/15/712218015.db2.gz YNHZEBXXSGTORK-SECBINFHSA-N 1 0 242.754 1.257 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC000709622012 712225760 /nfs/dbraw/zinc/22/57/60/712225760.db2.gz NUMAYXVNDBLQMV-APPZFPTMSA-N 1 0 238.253 1.395 10 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ZINC000720585221 712854524 /nfs/dbraw/zinc/85/45/24/712854524.db2.gz XJMJAIZSBNANCR-SECBINFHSA-N 1 0 217.276 1.114 10 0 BDAERO C[NH2+]CCc1noc([C@@H](C)[C@H]2CCCO2)n1 ZINC000720608638 712858752 /nfs/dbraw/zinc/85/87/52/712858752.db2.gz JTCLXNANGOYPOI-DTWKUNHWSA-N 1 0 225.292 1.114 10 0 BDAERO CC(C)(C[NH3+])Cc1nc(CC2CCC2)no1 ZINC000720849091 712870951 /nfs/dbraw/zinc/87/09/51/712870951.db2.gz DBLMSFJCEHTMGN-UHFFFAOYSA-N 1 0 223.320 1.940 10 0 BDAERO [NH3+]C[C@H]1CN(c2ncccn2)C[C@@H]1C(F)(F)F ZINC000720869262 712871771 /nfs/dbraw/zinc/87/17/71/712871771.db2.gz DWEJCSLJZHNBHU-YUMQZZPRSA-N 1 0 246.236 1.050 10 0 BDAERO [NH3+]C[C@@H]1CN(c2ncccn2)C[C@@H]1C(F)(F)F ZINC000720869258 712871906 /nfs/dbraw/zinc/87/19/06/712871906.db2.gz DWEJCSLJZHNBHU-SFYZADRCSA-N 1 0 246.236 1.050 10 0 BDAERO CCO[C@@H]1CCC[C@@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000721146543 712892810 /nfs/dbraw/zinc/89/28/10/712892810.db2.gz GOQTXZBDDYJZQP-RUJICJSRSA-N 1 0 240.347 1.188 10 0 BDAERO CCCC[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)C(=O)[O-] ZINC000700563858 976961444 /nfs/dbraw/zinc/96/14/44/976961444.db2.gz MWXQZWVQTHUNPT-MNOVXSKESA-N 1 0 230.352 1.560 10 0 BDAERO CC[NH2+]C1CCC(S(=O)(=O)CC)CC1 ZINC000685953517 538897835 /nfs/dbraw/zinc/89/78/35/538897835.db2.gz ICMQWQVOQRYXPB-UHFFFAOYSA-N 1 0 219.350 1.342 10 0 BDAERO CC(C)[C@@H]1CC[C@H](S(C)(=O)=O)[C@H](C[NH3+])C1 ZINC000685955341 538900454 /nfs/dbraw/zinc/90/04/54/538900454.db2.gz XVOIAEGMDFVTFO-VWYCJHECSA-N 1 0 233.377 1.431 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000685955178 538900892 /nfs/dbraw/zinc/90/08/92/538900892.db2.gz VQOZZSISPZWQMH-IVZWLZJFSA-N 1 0 219.350 1.327 10 0 BDAERO Cc1nc(C(=O)N2CCn3ccnc3C2)c(C)o1 ZINC000408008655 136208915 /nfs/dbraw/zinc/20/89/15/136208915.db2.gz IYZZOZZOQHHTCX-UHFFFAOYSA-N 1 0 246.270 1.144 10 0 BDAERO CCCN(C)CC(F)(F)CNC1CC1 ZINC000685957028 538903977 /nfs/dbraw/zinc/90/39/77/538903977.db2.gz QCRWLUGYLCZOGN-UHFFFAOYSA-N 1 0 206.280 1.716 10 0 BDAERO CCN(CC(F)(F)CN)[C@@H](C)C(C)C ZINC000685957662 538904711 /nfs/dbraw/zinc/90/47/11/538904711.db2.gz XDBFXOZEJAIBJX-VIFPVBQESA-N 1 0 208.296 1.947 10 0 BDAERO NCC(F)(F)CN1C[C@@H]2CCCC[C@H]21 ZINC000685957634 538905032 /nfs/dbraw/zinc/90/50/32/538905032.db2.gz WDLATWCSHMOHHX-DTWKUNHWSA-N 1 0 204.264 1.455 10 0 BDAERO C[C@@H]1CCN1CC(F)(F)CNC1CC1 ZINC000685957597 538905115 /nfs/dbraw/zinc/90/51/15/538905115.db2.gz CIWLYUFFBXYFJD-MRVPVSSYSA-N 1 0 204.264 1.468 10 0 BDAERO COCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960336 538907437 /nfs/dbraw/zinc/90/74/37/538907437.db2.gz GBHRIOSOSJQKKB-UHFFFAOYSA-N 1 0 207.273 1.382 10 0 BDAERO C[C@@H]1CC[C@](O)(C(=O)OC(C)(C)C)[C@@H]([NH3+])C1 ZINC000685960771 538907972 /nfs/dbraw/zinc/90/79/72/538907972.db2.gz BSRUPCXVWPNXGK-VDDIYKPWSA-N 1 0 229.320 1.207 10 0 BDAERO CC(C)[NH2+]CC[C@H](CO)[C@@H]1COC(C)(C)O1 ZINC000685961116 538908312 /nfs/dbraw/zinc/90/83/12/538908312.db2.gz OIJQDUSXRDSKLJ-MNOVXSKESA-N 1 0 231.336 1.135 10 0 BDAERO CCC[NH2+]CC[C@@H](CO)[C@H]1CCOC1 ZINC000685963256 538908457 /nfs/dbraw/zinc/90/84/57/538908457.db2.gz KDJKMSRVQCZYAW-QWRGUYRKSA-N 1 0 201.310 1.021 10 0 BDAERO CC(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685961862 538909239 /nfs/dbraw/zinc/90/92/39/538909239.db2.gz OWUDPCLDQKZFNA-CYBMUJFWSA-N 1 0 234.343 1.671 10 0 BDAERO OC[C@H](CC[NH2+]C1CC1)[C@H]1CCCOC1 ZINC000685963146 538909978 /nfs/dbraw/zinc/90/99/78/538909978.db2.gz HOVWFTZWQBERRR-QWRGUYRKSA-N 1 0 213.321 1.164 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C)C[C@H]1[NH3+] ZINC000685952997 538896313 /nfs/dbraw/zinc/89/63/13/538896313.db2.gz FEUFUAQZLDXWQY-OPRDCNLKSA-N 1 0 219.350 1.327 10 0 BDAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)CC)[C@H](C)C1 ZINC000685952667 538896596 /nfs/dbraw/zinc/89/65/96/538896596.db2.gz BLIUGYYZGXCAIT-MXWKQRLJSA-N 1 0 233.377 1.588 10 0 BDAERO Cc1nc(CN2C[C@@H](C)[C@@H]([NH3+])C2)oc1C ZINC000235328977 398139298 /nfs/dbraw/zinc/13/92/98/398139298.db2.gz LBUZHLWJFGAXTI-XCBNKYQSSA-N 1 0 209.293 1.070 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1cc(F)ccc1F ZINC000685965403 538912113 /nfs/dbraw/zinc/91/21/13/538912113.db2.gz CJUIBUKMBRNWRS-MWLCHTKSSA-N 1 0 212.243 1.369 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@@H]1c1ccc(C2CC2)cc1 ZINC000685965728 538912487 /nfs/dbraw/zinc/91/24/87/538912487.db2.gz QGNXEQZWGVTAJX-KGLIPLIRSA-N 1 0 216.328 1.968 10 0 BDAERO Cc1cc(C2CC2)nc(CN2CC[NH2+]CC2)n1 ZINC000104055556 177949401 /nfs/dbraw/zinc/94/94/01/177949401.db2.gz MZPCEQJJXIYKPF-UHFFFAOYSA-N 1 0 232.331 1.068 10 0 BDAERO CCC(CC)(CC)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129281722 168318223 /nfs/dbraw/zinc/31/82/23/168318223.db2.gz QOPCRFSCMVPTEL-SNVBAGLBSA-N 1 0 226.364 1.927 10 0 BDAERO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)nn1C ZINC000257667094 349471066 /nfs/dbraw/zinc/47/10/66/349471066.db2.gz FZKSICIJNDHKCX-JTQLQIEISA-N 1 0 236.319 1.057 10 0 BDAERO CCC(CC)(CO)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000104128663 168326820 /nfs/dbraw/zinc/32/68/20/168326820.db2.gz CUASQHHGOFXCFA-UHFFFAOYSA-N 1 0 242.407 1.811 10 0 BDAERO Nc1ccc([C@H]2CCN(CC[NH3+])C2)cc1 ZINC000616611840 349473793 /nfs/dbraw/zinc/47/37/93/349473793.db2.gz GWMKEFOSNISHPA-NSHDSACASA-N 1 0 205.305 1.017 10 0 BDAERO CCC[C@H](C[NH3+])[C@H](O)c1cncs1 ZINC000161778443 538918338 /nfs/dbraw/zinc/91/83/38/538918338.db2.gz DMCZWIIBUMSYQT-APPZFPTMSA-N 1 0 200.307 1.552 10 0 BDAERO Cc1nc(C[N@@H+]2CC[C@H](CCO)C2)oc1C ZINC000161592349 349481052 /nfs/dbraw/zinc/48/10/52/349481052.db2.gz FUJJTWKSZMAWJY-LLVKDONJSA-N 1 0 224.304 1.496 10 0 BDAERO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000158821421 136214009 /nfs/dbraw/zinc/21/40/09/136214009.db2.gz HUCBKXIJEIMAJJ-WRWGMCAJSA-N 1 0 224.348 1.618 10 0 BDAERO C[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000158821773 136214094 /nfs/dbraw/zinc/21/40/94/136214094.db2.gz HUCBKXIJEIMAJJ-IRCOFANPSA-N 1 0 224.348 1.618 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccno1 ZINC000616588643 349503860 /nfs/dbraw/zinc/50/38/60/349503860.db2.gz YLSGOYLQVLSMOY-GFCCVEGCSA-N 1 0 244.298 1.607 10 0 BDAERO Cc1cc(CNC(=O)c2ccc(C[NH3+])cc2)on1 ZINC000045006948 178015406 /nfs/dbraw/zinc/01/54/06/178015406.db2.gz QLDWFXIDAUEUMU-UHFFFAOYSA-N 1 0 245.282 1.372 10 0 BDAERO Cc1cc(C[NH2+]C2CC2)cc(C)c1OCCO ZINC000034657136 178018920 /nfs/dbraw/zinc/01/89/20/178018920.db2.gz OERVTWSPLCCTOT-UHFFFAOYSA-N 1 0 235.327 1.927 10 0 BDAERO Cc1cc(C[NH2+]C2CC2)nc(N2CCCC2)n1 ZINC000054831826 178019509 /nfs/dbraw/zinc/01/95/09/178019509.db2.gz MOWISFDLUCSOMP-UHFFFAOYSA-N 1 0 232.331 1.637 10 0 BDAERO Cc1cc(C[NH2+]C[C@H]2CN(C)CCO2)cs1 ZINC000336651014 178024252 /nfs/dbraw/zinc/02/42/52/178024252.db2.gz HTYLSQGUSVMDJS-LBPRGKRZSA-N 1 0 240.372 1.477 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1cnccn1 ZINC000390304466 398168542 /nfs/dbraw/zinc/16/85/42/398168542.db2.gz TYDWSACHKUXBMT-TZMCWYRMSA-N 1 0 246.358 1.188 10 0 BDAERO N#CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000306682400 398172573 /nfs/dbraw/zinc/17/25/73/398172573.db2.gz RAHXJWBHBLFDSQ-RRFJBIMHSA-N 1 0 241.338 1.968 10 0 BDAERO COC(C)(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000177143521 136216810 /nfs/dbraw/zinc/21/68/10/136216810.db2.gz QJFGQDNNZPPNDM-QWRGUYRKSA-N 1 0 242.363 1.256 10 0 BDAERO Cc1cc(C[C@@H](C[NH3+])CO)cc(C)c1O ZINC000020424075 178055249 /nfs/dbraw/zinc/05/52/49/178055249.db2.gz ALNGGSNYJGAVRP-NSHDSACASA-N 1 0 209.289 1.119 10 0 BDAERO Cc1cc(C[C@H](C[NH3+])CO)cc(C)c1O ZINC000020424077 178057937 /nfs/dbraw/zinc/05/79/37/178057937.db2.gz ALNGGSNYJGAVRP-LLVKDONJSA-N 1 0 209.289 1.119 10 0 BDAERO C[NH2+][C@@H](C)CNc1nc2ccccc2cc1C ZINC000379723548 398163236 /nfs/dbraw/zinc/16/32/36/398163236.db2.gz OFRBLFDYBKEDIR-NSHDSACASA-N 1 0 229.327 1.985 10 0 BDAERO CCc1nc(C)cc(N2CC[C@H]([NH3+])[C@@H](CC)C2)n1 ZINC000385458403 398164797 /nfs/dbraw/zinc/16/47/97/398164797.db2.gz SUESKIOCODAWHY-RYUDHWBXSA-N 1 0 248.374 1.911 10 0 BDAERO CCCN(CC(C)C)C(=O)[C@H]1CC[NH2+]C1 ZINC000379771913 398164977 /nfs/dbraw/zinc/16/49/77/398164977.db2.gz ATJXWNBACSHFCH-NSHDSACASA-N 1 0 212.337 1.491 10 0 BDAERO Cc1cc(Cl)nc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000095068949 178071111 /nfs/dbraw/zinc/07/11/11/178071111.db2.gz YDLWORJLIPSLIW-SECBINFHSA-N 1 0 241.722 1.817 10 0 BDAERO Cc1cc(Cl)nc(N(C)C[C@H]2CC[NH2+]C2)n1 ZINC000095071199 178071723 /nfs/dbraw/zinc/07/17/23/178071723.db2.gz QBOSNQXTGMCSGW-VIFPVBQESA-N 1 0 240.738 1.484 10 0 BDAERO Cc1n[nH]c(C)c1[C@H]1COCCN1C(C)C ZINC000536959702 398199520 /nfs/dbraw/zinc/19/95/20/398199520.db2.gz RWAVSJMYJRHJNO-LLVKDONJSA-N 1 0 223.320 1.808 10 0 BDAERO Cc1cc(N(C)[C@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000095070554 178101888 /nfs/dbraw/zinc/10/18/88/178101888.db2.gz SYSPSLKHAIWHNW-VIFPVBQESA-N 1 0 240.738 1.627 10 0 BDAERO Cc1ccc(C)c2c1OC[C@@](C)(C[NH3+])O2 ZINC000536954181 398198039 /nfs/dbraw/zinc/19/80/39/398198039.db2.gz KWHXUCSBQCQUST-GFCCVEGCSA-N 1 0 207.273 1.792 10 0 BDAERO CN(C[C@H]1CCOC1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180973208 136218453 /nfs/dbraw/zinc/21/84/53/136218453.db2.gz UZQZGIVLLQMVJT-DGCLKSJQSA-N 1 0 240.347 1.014 10 0 BDAERO Cc1cc(N2CC[C@@H]([NH+](C)C)C2)nc(C2CC2)n1 ZINC000116260871 178117431 /nfs/dbraw/zinc/11/74/31/178117431.db2.gz XWOOLBJDLMRMFN-GFCCVEGCSA-N 1 0 246.358 1.803 10 0 BDAERO Cc1cc(N2C[C@H]3CC[C@@H](C2)C(=O)N3C)cc[nH+]1 ZINC000095381284 178121220 /nfs/dbraw/zinc/12/12/20/178121220.db2.gz NRVAOWACLOZEME-WCQYABFASA-N 1 0 245.326 1.447 10 0 BDAERO Cc1nnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000307669986 398205989 /nfs/dbraw/zinc/20/59/89/398205989.db2.gz TYOYVFZOLDHQCU-HTRCEHHLSA-N 1 0 212.322 1.399 10 0 BDAERO Cc1cc(NC(=O)C[NH2+]C2CCCC2)on1 ZINC000037395820 178132587 /nfs/dbraw/zinc/13/25/87/178132587.db2.gz SEUINRRBQHGPOZ-UHFFFAOYSA-N 1 0 223.276 1.454 10 0 BDAERO CCN1CC[NH2+]C[C@H]1c1cccc(NC(C)=O)c1 ZINC000616637769 398213718 /nfs/dbraw/zinc/21/37/18/398213718.db2.gz QKAHOXYLCIAIFS-AWEZNQCLSA-N 1 0 247.342 1.611 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CCCC[NH2+]2)no1 ZINC000019408465 178145334 /nfs/dbraw/zinc/14/53/34/178145334.db2.gz NCLYJEXKMWSBJR-QMMMGPOBSA-N 1 0 209.249 1.064 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]2)ccc1O ZINC000148450538 178148106 /nfs/dbraw/zinc/14/81/06/178148106.db2.gz RFKYGTKEFXVZPR-SNVBAGLBSA-N 1 0 220.272 1.391 10 0 BDAERO COC[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000643512335 398224481 /nfs/dbraw/zinc/22/44/81/398224481.db2.gz IIBUZIXCQHFCKY-WOPDTQHZSA-N 1 0 240.347 1.012 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NC1CCCCCC1 ZINC000082920431 136222096 /nfs/dbraw/zinc/22/20/96/136222096.db2.gz BLFIWQVCQITDJK-VXGBXAGGSA-N 1 0 224.348 1.953 10 0 BDAERO CCSCC[C@H](O)[C@@](C)(CC)C[NH3+] ZINC000164109309 538931283 /nfs/dbraw/zinc/93/12/83/538931283.db2.gz SCDYNQIWLIRGLR-UWVGGRQHSA-N 1 0 205.367 1.866 10 0 BDAERO CCC(CC)C[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000308852619 168352702 /nfs/dbraw/zinc/35/27/02/168352702.db2.gz RRFKBCFAWQZTPS-NEPJUHHUSA-N 1 0 215.337 1.504 10 0 BDAERO Cc1cc(OCC[NH3+])nc2ccccc12 ZINC000039105086 178211194 /nfs/dbraw/zinc/21/11/94/178211194.db2.gz YRXQPPBXAQPQDE-UHFFFAOYSA-N 1 0 202.257 1.881 10 0 BDAERO Cc1cc(OC[C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC000051873195 178212422 /nfs/dbraw/zinc/21/24/22/178212422.db2.gz XJCMSLDKAOXJLN-LLVKDONJSA-N 1 0 221.304 1.472 10 0 BDAERO CCC(CC)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000308852620 168354020 /nfs/dbraw/zinc/35/40/20/168354020.db2.gz RRFKBCFAWQZTPS-NWDGAFQWSA-N 1 0 215.337 1.504 10 0 BDAERO CNc1nnc(S[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000306642663 361774225 /nfs/dbraw/zinc/77/42/25/361774225.db2.gz UJDQNGDTJHTNSV-WDSKDSINSA-N 1 0 230.362 1.552 10 0 BDAERO C[C@@H](CO)Nc1cc(Cl)ccc1C[NH3+] ZINC000070821534 361774303 /nfs/dbraw/zinc/77/43/03/361774303.db2.gz CUDPJYUFLPVYHE-ZETCQYMHSA-N 1 0 214.696 1.591 10 0 BDAERO Cc1cc([C@@H](O)[C@@H]2CCC[NH2+]2)ccc1F ZINC000032012158 178239324 /nfs/dbraw/zinc/23/93/24/178239324.db2.gz GRIFMZSIHLZGIF-NWDGAFQWSA-N 1 0 209.264 1.920 10 0 BDAERO Cc1cc([C@@H](O)[C@H]2CCC[NH2+]2)ccc1F ZINC000032012160 178239445 /nfs/dbraw/zinc/23/94/45/178239445.db2.gz GRIFMZSIHLZGIF-VXGBXAGGSA-N 1 0 209.264 1.920 10 0 BDAERO Cc1c(C[NH2+]CCc2cccc(C)n2)cnn1C ZINC000280509868 538937522 /nfs/dbraw/zinc/93/75/22/538937522.db2.gz GTUPZLZDIZWHOC-UHFFFAOYSA-N 1 0 244.342 1.764 10 0 BDAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C1CC1 ZINC000165549896 136227314 /nfs/dbraw/zinc/22/73/14/136227314.db2.gz IQTSDHCODBIZOL-KCJUWKMLSA-N 1 0 220.320 1.810 10 0 BDAERO Cc1cc([C@H](CO)N2CC[NH2+]CC2)c(C)s1 ZINC000049688071 178260996 /nfs/dbraw/zinc/26/09/96/178260996.db2.gz MHBRFFHHPQTRND-LBPRGKRZSA-N 1 0 240.372 1.304 10 0 BDAERO O=C(N[C@]12CC[C@@H]1C[NH2+]C2)C1CCCCC1 ZINC000616571182 538938122 /nfs/dbraw/zinc/93/81/22/538938122.db2.gz FEDDKUGBJAFHCS-YPMHNXCESA-N 1 0 222.332 1.435 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000165932448 538938361 /nfs/dbraw/zinc/93/83/61/538938361.db2.gz LMKMWLVTWQMYIL-AWEZNQCLSA-N 1 0 249.358 1.200 10 0 BDAERO COc1cc(NC[C@H](C)[NH3+])c([N+](=O)[O-])cc1C ZINC000393847398 343992321 /nfs/dbraw/zinc/99/23/21/343992321.db2.gz RKMGAAUGEAMFHB-QMMMGPOBSA-N 1 0 239.275 1.671 10 0 BDAERO CC(C)[NH2+]CCCNc1ccnc2cccnc21 ZINC000575783241 398240598 /nfs/dbraw/zinc/24/05/98/398240598.db2.gz UPKZQXFGJDWVEI-UHFFFAOYSA-N 1 0 244.342 1.852 10 0 BDAERO CO[C@H](CNC(=O)C[C@H]([NH3+])C(C)C)C(C)C ZINC000381283528 398247630 /nfs/dbraw/zinc/24/76/30/398247630.db2.gz LUJIYUHGEGPQGK-WDEREUQCSA-N 1 0 230.352 1.147 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1[C@H](C)CC[C@@H]1C ZINC000381297281 398250143 /nfs/dbraw/zinc/25/01/43/398250143.db2.gz GYNHLJUPORATHQ-AXFHLTTASA-N 1 0 212.337 1.759 10 0 BDAERO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCN(CC)C1)OC ZINC000381294748 398250298 /nfs/dbraw/zinc/25/02/98/398250298.db2.gz OVQYQPARFKFLIS-XQQFMLRXSA-N 1 0 228.380 1.731 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)c2ncc[nH]2)c1 ZINC000286378086 538943935 /nfs/dbraw/zinc/94/39/35/538943935.db2.gz ZWWKYFIWBAHDPZ-SNVBAGLBSA-N 1 0 219.292 1.265 10 0 BDAERO Cc1ccc(-c2cc(N3CC[C@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460194 178322121 /nfs/dbraw/zinc/32/21/21/178322121.db2.gz UMHVPFYGUHNGMB-LBPRGKRZSA-N 1 0 242.326 1.923 10 0 BDAERO Cc1ccc(-c2nc(CCC[NH3+])no2)cc1 ZINC000019682246 178333909 /nfs/dbraw/zinc/33/39/09/178333909.db2.gz GVFQJHDCQDTIEV-UHFFFAOYSA-N 1 0 217.272 1.936 10 0 BDAERO Cc1ccc(-c2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000058053899 178334913 /nfs/dbraw/zinc/33/49/13/178334913.db2.gz PMZRSVRHDNROTF-UHFFFAOYSA-N 1 0 215.256 1.204 10 0 BDAERO Cc1ccc(-c2nc(C[C@@H](C)[NH3+])no2)s1 ZINC000054161431 178336057 /nfs/dbraw/zinc/33/60/57/178336057.db2.gz SMLFJVKXKJLEFP-ZCFIWIBFSA-N 1 0 223.301 1.996 10 0 BDAERO Cc1ccc(-c2nnc(CCC[NH3+])o2)cc1O ZINC000050283693 178339480 /nfs/dbraw/zinc/33/94/80/178339480.db2.gz NICIGPNKRMELSH-UHFFFAOYSA-N 1 0 233.271 1.642 10 0 BDAERO Cc1ccc(-c2n[nH]c(CCC[NH3+])n2)cc1F ZINC000061844141 178340156 /nfs/dbraw/zinc/34/01/56/178340156.db2.gz SBGWAEOARMJVJC-UHFFFAOYSA-N 1 0 234.278 1.811 10 0 BDAERO Cc1ccc(-c2nnc(CC[NH3+])o2)cc1 ZINC000011585754 178340768 /nfs/dbraw/zinc/34/07/68/178340768.db2.gz LSKQFBCQNOUVRY-UHFFFAOYSA-N 1 0 203.245 1.546 10 0 BDAERO Cc1ccc(-c2nnc([C@@H](C)[NH3+])[nH]2)cc1F ZINC000061843908 178341307 /nfs/dbraw/zinc/34/13/07/178341307.db2.gz UGOQFEUNSKSSLO-SSDOTTSWSA-N 1 0 220.251 1.939 10 0 BDAERO CCC(CC)[N@H+](C)CC[C@@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062448932 168368787 /nfs/dbraw/zinc/36/87/87/168368787.db2.gz KSSYKDMKVNFTAN-GFCCVEGCSA-N 1 0 242.363 1.702 10 0 BDAERO Cc1ccc(=O)n(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000041631004 178360631 /nfs/dbraw/zinc/36/06/31/178360631.db2.gz HANZFUGRMQZBEC-NSHDSACASA-N 1 0 221.304 1.084 10 0 BDAERO Cc1ccc(Br)cc1C[NH2+]CCO ZINC000083372240 178362261 /nfs/dbraw/zinc/36/22/61/178362261.db2.gz AMTHBGZUJUKGLU-UHFFFAOYSA-N 1 0 244.132 1.839 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N(CC(F)F)C1CC1 ZINC000386248674 398264025 /nfs/dbraw/zinc/26/40/25/398264025.db2.gz VFHQNMKCKIHTGU-SCZZXKLOSA-N 1 0 246.301 1.618 10 0 BDAERO CN(CCC1CC1)C(=O)C1CCC([NH3+])CC1 ZINC000381564504 398264243 /nfs/dbraw/zinc/26/42/43/398264243.db2.gz RSBOGDAFCDRBKL-UHFFFAOYSA-N 1 0 224.348 1.762 10 0 BDAERO CCSCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000378732857 346820394 /nfs/dbraw/zinc/82/03/94/346820394.db2.gz LPJIFRATHATDOW-NXEZZACHSA-N 1 0 203.351 1.585 10 0 BDAERO CC(C)(C)NC(=O)NC[C@@H]([NH3+])C(C)(C)C ZINC000324719560 538951113 /nfs/dbraw/zinc/95/11/13/538951113.db2.gz FMPMIEALSISIIJ-MRVPVSSYSA-N 1 0 215.341 1.458 10 0 BDAERO C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]2C)CCC1 ZINC000386964848 398266706 /nfs/dbraw/zinc/26/67/06/398266706.db2.gz ZUHLCDZGQIUPIV-WDEREUQCSA-N 1 0 224.348 1.681 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@@H]([NH3+])CC(C)C ZINC000042526164 168374826 /nfs/dbraw/zinc/37/48/26/168374826.db2.gz JIWJGZDHKLWAAQ-LBPRGKRZSA-N 1 0 244.379 1.369 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)n1C ZINC000170857545 178395171 /nfs/dbraw/zinc/39/51/71/178395171.db2.gz MCMGSNVNNKBMIN-LLVKDONJSA-N 1 0 235.331 1.110 10 0 BDAERO [NH3+]CCN1CC[C@H](c2cncc3ccccc32)C1 ZINC000616612566 349581953 /nfs/dbraw/zinc/58/19/53/349581953.db2.gz PBLMHXLAXOPECA-ZDUSSCGKSA-N 1 0 241.338 1.983 10 0 BDAERO CC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000378782476 346834171 /nfs/dbraw/zinc/83/41/71/346834171.db2.gz KAUXHRWPURSSOG-GMTAPVOTSA-N 1 0 233.377 1.730 10 0 BDAERO O=C1Cc2ccccc2CN1C1CC[NH2+]CC1 ZINC000083071508 342693047 /nfs/dbraw/zinc/69/30/47/342693047.db2.gz OFGRIUZKFDDZPU-UHFFFAOYSA-N 1 0 230.311 1.323 10 0 BDAERO COc1ccc([C@@H](O)[C@H]2CCCC[NH2+]2)cc1 ZINC000001644084 342706756 /nfs/dbraw/zinc/70/67/56/342706756.db2.gz LVNIMCPYSKQYIW-CHWSQXEVSA-N 1 0 221.300 1.871 10 0 BDAERO CCC(CC)NC(=O)[C@@H](C)OC[C@@H]1CCC[NH2+]1 ZINC000051816315 168381970 /nfs/dbraw/zinc/38/19/70/168381970.db2.gz KKTXBGPFEPMJJZ-PWSUYJOCSA-N 1 0 242.363 1.448 10 0 BDAERO CC(C)SCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000602592128 349615038 /nfs/dbraw/zinc/61/50/38/349615038.db2.gz HIOIVYCHSXAVCH-UWVGGRQHSA-N 1 0 230.377 1.181 10 0 BDAERO C[C@@H]1C[C@@H]1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000167321013 361863468 /nfs/dbraw/zinc/86/34/68/361863468.db2.gz HXACBXXYHLIULC-XQHKEYJVSA-N 1 0 208.349 1.811 10 0 BDAERO C[C@@H]1C[C@H](C)[C@@H](CNC(=O)C(F)(F)F)C[NH2+]1 ZINC000306657404 361867172 /nfs/dbraw/zinc/86/71/72/361867172.db2.gz MUHXQUQZDSAMPE-XLPZGREQSA-N 1 0 238.253 1.299 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCCCN1CC1(F)CC1 ZINC000306657059 361867783 /nfs/dbraw/zinc/86/77/83/361867783.db2.gz HRFLBYWLAYPEML-VHSXEESVSA-N 1 0 200.301 1.690 10 0 BDAERO COc1cccc2c1C=C(C[C@@H]([NH3+])CN)CC2 ZINC000144288624 342728938 /nfs/dbraw/zinc/72/89/38/342728938.db2.gz SZXIIVFTOXYSMF-GFCCVEGCSA-N 1 0 232.327 1.701 10 0 BDAERO CC[N@@H+]1CCCC[C@@H]1c1[nH]nc2c1CCN2 ZINC000003708027 342736882 /nfs/dbraw/zinc/73/68/82/342736882.db2.gz SRZIAAYCDRKOMO-SNVBAGLBSA-N 1 0 220.320 1.925 10 0 BDAERO CCS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000003705660 342736990 /nfs/dbraw/zinc/73/69/90/342736990.db2.gz PECBAIJATAJPMN-MRVPVSSYSA-N 1 0 213.302 1.500 10 0 BDAERO CC[N@@H+]1CCC[C@@H](c2[nH]nc3c2CCN3)C1 ZINC000003708021 342737001 /nfs/dbraw/zinc/73/70/01/342737001.db2.gz LYFRXDYFVOSPDU-SECBINFHSA-N 1 0 220.320 1.577 10 0 BDAERO c1ccc(-c2nc[nH+]c3c2CCNN3)cc1 ZINC000147659164 342778315 /nfs/dbraw/zinc/77/83/15/342778315.db2.gz RKZMXZBTVFIBEO-UHFFFAOYSA-N 1 0 212.256 1.616 10 0 BDAERO Cc1sc(=O)n(C[C@H]2CC[NH2+]C2)c1C ZINC000070915208 361881442 /nfs/dbraw/zinc/88/14/42/361881442.db2.gz FZZXFEJQBLGSAS-VIFPVBQESA-N 1 0 212.318 1.136 10 0 BDAERO O[C@H]1c2ccccc2C[C@@H]1C[NH+]1CCOCC1 ZINC000147703043 342779613 /nfs/dbraw/zinc/77/96/13/342779613.db2.gz VUKIZLODRYPRCM-TZMCWYRMSA-N 1 0 233.311 1.225 10 0 BDAERO COC1=CCc2cccc(CC[NH3+])c2C1 ZINC000148131822 342788516 /nfs/dbraw/zinc/78/85/16/342788516.db2.gz VOPBIHUSOXQTRU-UHFFFAOYSA-N 1 0 203.285 1.817 10 0 BDAERO CCc1noc(C)c1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335437522 398287574 /nfs/dbraw/zinc/28/75/74/398287574.db2.gz PTLXEBBWQPBONJ-VXNVDRBHSA-N 1 0 237.303 1.107 10 0 BDAERO Cc1nsc(N2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000227076798 342816546 /nfs/dbraw/zinc/81/65/46/342816546.db2.gz WNJCFCDSBDBIME-POYBYMJQSA-N 1 0 212.322 1.020 10 0 BDAERO C[C@@H]1CCC[C@@H](C[NH3+])N1CC(F)(F)F ZINC000069723277 342823727 /nfs/dbraw/zinc/82/37/27/342823727.db2.gz HBCYLSFWMAIDPD-SFYZADRCSA-N 1 0 210.243 1.750 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@]1(CC)CCOC1 ZINC000378741501 538973961 /nfs/dbraw/zinc/97/39/61/538973961.db2.gz HOFAHZNFCLGSRQ-OLZOCXBDSA-N 1 0 245.363 1.323 10 0 BDAERO CCN(CC)[C@@H](C)C[NH2+]C[C@H](C)COC ZINC000187646133 538976588 /nfs/dbraw/zinc/97/65/88/538976588.db2.gz RLYDQXSYGBAYHX-RYUDHWBXSA-N 1 0 216.369 1.589 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000336652484 346864557 /nfs/dbraw/zinc/86/45/57/346864557.db2.gz IKSUCLIZZSFNFG-RWMBFGLXSA-N 1 0 226.364 1.628 10 0 BDAERO [NH3+][C@@H]1C=C[C@H](C(=O)Cc2cncs2)C1 ZINC000226564225 342830286 /nfs/dbraw/zinc/83/02/86/342830286.db2.gz IZWAAMLORZDTLM-JGVFFNPUSA-N 1 0 208.286 1.158 10 0 BDAERO C1C[NH+]=C(N[C@@H]2CCCOC2)SC1 ZINC000071023265 361930728 /nfs/dbraw/zinc/93/07/28/361930728.db2.gz VOISHHJJSGJTAJ-MRVPVSSYSA-N 1 0 200.307 1.248 10 0 BDAERO CC(=O)N1CC[C@@H]([NH2+]C2CC(C)C2)[C@@H](C)C1 ZINC000381460482 539001083 /nfs/dbraw/zinc/00/10/83/539001083.db2.gz JNFGVFFALQHYKP-KQXCDPHESA-N 1 0 224.348 1.631 10 0 BDAERO CCOC1CC([NH2+][C@H]2CN(CC)C[C@@H]2C)C1 ZINC000381458986 539001326 /nfs/dbraw/zinc/00/13/26/539001326.db2.gz KJKZNWBUFWMUOD-WTIISPKJSA-N 1 0 226.364 1.484 10 0 BDAERO CCc1nc([C@@H](O)[C@H](C)C[NH3+])cs1 ZINC000382264609 539008581 /nfs/dbraw/zinc/00/85/81/539008581.db2.gz XVALSZFKUIJQDG-MUWHJKNJSA-N 1 0 200.307 1.334 10 0 BDAERO Cc1cc2c(c(C)c1)NC(=O)[C@@H]2CC[NH3+] ZINC000100535889 539013614 /nfs/dbraw/zinc/01/36/14/539013614.db2.gz QBJRNSILCYUKJK-SECBINFHSA-N 1 0 204.273 1.688 10 0 BDAERO CCC(CC)[C@@H](C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000104438385 168399309 /nfs/dbraw/zinc/39/93/09/168399309.db2.gz DXNWBVUXECHFEU-SNVBAGLBSA-N 1 0 241.379 1.944 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCSC2)[C@H](C)C1 ZINC000381251812 538997433 /nfs/dbraw/zinc/99/74/33/538997433.db2.gz PQADREVMRRFFQS-JLLWLGSASA-N 1 0 242.388 1.338 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000381362700 538999062 /nfs/dbraw/zinc/99/90/62/538999062.db2.gz FZTBUTXFNHBTGS-JHJVBQTASA-N 1 0 226.364 1.485 10 0 BDAERO CC[C@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000381375734 538999351 /nfs/dbraw/zinc/99/93/51/538999351.db2.gz JRZJQDAVCSZNMT-VWYCJHECSA-N 1 0 248.392 1.045 10 0 BDAERO CC[C@@H]([NH2+]C1CCN(CCO)CC1)C1CC1 ZINC000381386760 538999973 /nfs/dbraw/zinc/99/99/73/538999973.db2.gz MYFLJPYMASTMEJ-CYBMUJFWSA-N 1 0 226.364 1.221 10 0 BDAERO CC[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000042307259 361979101 /nfs/dbraw/zinc/97/91/01/361979101.db2.gz DAXFZZZPVJGNCX-UHFFFAOYSA-N 1 0 232.283 1.282 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C1CCOCC1 ZINC000390548706 539026179 /nfs/dbraw/zinc/02/61/79/539026179.db2.gz NTCARLYWZQVXDR-UHTWSYAYSA-N 1 0 227.348 1.695 10 0 BDAERO CC[C@@H]1CN([C@@H]2CC[NH2+]C[C@@H]2F)C[C@H](CC)O1 ZINC000709445751 539027245 /nfs/dbraw/zinc/02/72/45/539027245.db2.gz NAQZZLMKNKLEBK-QNWHQSFQSA-N 1 0 244.354 1.576 10 0 BDAERO CC[C@@H]1CN([C@@H]2CC[NH2+]C[C@@H]2F)C[C@@H](CC)O1 ZINC000709445745 539027275 /nfs/dbraw/zinc/02/72/75/539027275.db2.gz NAQZZLMKNKLEBK-FVCCEPFGSA-N 1 0 244.354 1.576 10 0 BDAERO CC[C@@H]1CN([C@@H]2CC[NH2+]C[C@H]2F)C[C@H](CC)O1 ZINC000709445754 539027399 /nfs/dbraw/zinc/02/73/99/539027399.db2.gz NAQZZLMKNKLEBK-YVECIDJPSA-N 1 0 244.354 1.576 10 0 BDAERO COC[C@H](C)OCC[NH2+]Cc1ccccc1 ZINC000069757872 342839641 /nfs/dbraw/zinc/83/96/41/342839641.db2.gz JFVWGPIOFFESPH-LBPRGKRZSA-N 1 0 223.316 1.828 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2CCC(C)(C)CC2)C1 ZINC000061822617 539015759 /nfs/dbraw/zinc/01/57/59/539015759.db2.gz BQCBPSLUWPNQLD-RYUDHWBXSA-N 1 0 226.364 1.485 10 0 BDAERO [NH3+]C1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCCCC1 ZINC000037001030 398298665 /nfs/dbraw/zinc/29/86/65/398298665.db2.gz SWDCEOKSRFMRJU-GHMZBOCLSA-N 1 0 240.347 1.068 10 0 BDAERO C[C@H](C[N@@H+]1CCCSCC1)C(N)=S ZINC000042443960 362000116 /nfs/dbraw/zinc/00/01/16/362000116.db2.gz MSKFMJUPKLHGQN-MRVPVSSYSA-N 1 0 218.391 1.348 10 0 BDAERO C[C@@]1(NC(=[NH2+])NO)CC[N@H+](Cc2ccccc2)C1 ZINC000406093604 342848604 /nfs/dbraw/zinc/84/86/04/342848604.db2.gz DMKYFXGVIQQJSS-CYBMUJFWSA-N 1 0 248.330 1.154 10 0 BDAERO C[NH2+][C@H](C)Cc1cc2c(c(O)c1)OCO2 ZINC000238324921 259325618 /nfs/dbraw/zinc/32/56/18/259325618.db2.gz JZNYYUIEDIOJRD-SSDOTTSWSA-N 1 0 209.245 1.271 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H]1CC ZINC000300382011 259326873 /nfs/dbraw/zinc/32/68/73/259326873.db2.gz KDBNIBMWVCUBSO-IJLUTSLNSA-N 1 0 215.337 1.552 10 0 BDAERO C[C@@H]1C[N@H+](C)C[C@]1(O)c1ccccc1F ZINC000521401609 398305080 /nfs/dbraw/zinc/30/50/80/398305080.db2.gz KICOMTJUROYLGS-BXKDBHETSA-N 1 0 209.264 1.595 10 0 BDAERO Cc1cccc([C@]2(O)C[N@@H+](C)C[C@@H]2C)c1 ZINC000521401576 398305097 /nfs/dbraw/zinc/30/50/97/398305097.db2.gz JCXDJNFSKKWOCZ-AAEUAGOBSA-N 1 0 205.301 1.764 10 0 BDAERO C[C@H]1OCC[C@@H]1NC1=[NH+]CCCS1 ZINC000134578493 342869807 /nfs/dbraw/zinc/86/98/07/342869807.db2.gz BJSSXUVHOPRYEB-SFYZADRCSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@H]1CN([C@H](C[NH3+])C(F)(F)F)C[C@H]1C ZINC000219589025 342878315 /nfs/dbraw/zinc/87/83/15/342878315.db2.gz VCMLOJFUZZVIHQ-GJMOJQLCSA-N 1 0 210.243 1.464 10 0 BDAERO C[C@@H]1C[C@]2(C[N@@H+]1C1CC1)NCCCS2 ZINC000229949722 342858357 /nfs/dbraw/zinc/85/83/57/342858357.db2.gz PXUCTXMYNIJBTH-KOLCDFICSA-N 1 0 212.362 1.666 10 0 BDAERO CN[C@]1(C(F)F)C[C@H](C)[N@@H+](C2CC2)C1 ZINC000229950363 342858736 /nfs/dbraw/zinc/85/87/36/342858736.db2.gz VRJPXBJTZZOSHQ-OIBJUYFYSA-N 1 0 204.264 1.466 10 0 BDAERO COC[C@H](C)NC1=[NH+][C@@H](C)C[C@@H](C)S1 ZINC000164950718 342860473 /nfs/dbraw/zinc/86/04/73/342860473.db2.gz WADSLHGWFFDWPW-XHNCKOQMSA-N 1 0 216.350 1.881 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC(C)(C)c1nccs1 ZINC000234427745 342925424 /nfs/dbraw/zinc/92/54/24/342925424.db2.gz PMZJKJGEHPPMOD-SSDOTTSWSA-N 1 0 227.333 1.102 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCC(C)CC1 ZINC000134889428 342918142 /nfs/dbraw/zinc/91/81/42/342918142.db2.gz TVWXIYDFSLPVKP-GHMZBOCLSA-N 1 0 214.378 1.422 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CC(C)c1nsc(NCC[C@@H](C)[NH3+])n1 ZINC000083670510 343494853 /nfs/dbraw/zinc/49/48/53/343494853.db2.gz ZLHMFIPZAMMRKA-SSDOTTSWSA-N 1 0 214.338 1.811 10 0 BDAERO CC(C)c1nsc(NC[C@H]2CCC[NH2+]2)n1 ZINC000083670349 343494862 /nfs/dbraw/zinc/49/48/62/343494862.db2.gz KSNZUOYGWXFLLQ-MRVPVSSYSA-N 1 0 226.349 1.825 10 0 BDAERO CCCc1nsc(NC[C@H]([NH3+])C(C)C)n1 ZINC000083671002 343495136 /nfs/dbraw/zinc/49/51/36/343495136.db2.gz ITCCPLUAUOYIKQ-QMMMGPOBSA-N 1 0 228.365 1.886 10 0 BDAERO [NH3+][C@H](CCO)c1cc(F)ccc1Br ZINC000044233985 343496212 /nfs/dbraw/zinc/49/62/12/343496212.db2.gz KHLWOHZGHOSRLT-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cn[nH]c2)C1 ZINC000616634097 343528201 /nfs/dbraw/zinc/52/82/01/343528201.db2.gz LOBJWZYJFLQDLN-JTQLQIEISA-N 1 0 208.309 1.155 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](CCO)C1 ZINC000616661526 343533336 /nfs/dbraw/zinc/53/33/36/343533336.db2.gz UAQCTMUFGUDMRG-SNVBAGLBSA-N 1 0 201.310 1.116 10 0 BDAERO [NH3+][C@@H](CO)Cc1sccc1Br ZINC000044464257 343501760 /nfs/dbraw/zinc/50/17/60/343501760.db2.gz CLCBKOZNQANWHY-RXMQYKEDSA-N 1 0 236.134 1.373 10 0 BDAERO C[C@H]([NH3+])Cc1c(Br)cnn1C ZINC000044461002 343501888 /nfs/dbraw/zinc/50/18/88/343501888.db2.gz USDPFVWOGKEERE-YFKPBYRVSA-N 1 0 218.098 1.072 10 0 BDAERO CC1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624235372 343578117 /nfs/dbraw/zinc/57/81/17/343578117.db2.gz JESNVGNIWIZMMX-QQFIATSDSA-N 1 0 213.321 1.305 10 0 BDAERO CC1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624235369 343578242 /nfs/dbraw/zinc/57/82/42/343578242.db2.gz JESNVGNIWIZMMX-HCWSGVFWSA-N 1 0 213.321 1.305 10 0 BDAERO c1cc2c(s1)[C@H](c1ccncn1)[NH2+]CC2 ZINC000712501050 537787239 /nfs/dbraw/zinc/78/72/39/537787239.db2.gz GWYBOLVFKNNLJD-JTQLQIEISA-N 1 0 217.297 1.773 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000624238374 343585214 /nfs/dbraw/zinc/58/52/14/343585214.db2.gz PXXFHTKMMRYFLN-RWMBFGLXSA-N 1 0 248.326 1.198 10 0 BDAERO c1cc2c(s1)C1(COCCOC1)[NH2+]CC2 ZINC000712512366 537788103 /nfs/dbraw/zinc/78/81/03/537788103.db2.gz HKDPCWKFOQXTNU-UHFFFAOYSA-N 1 0 225.313 1.136 10 0 BDAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624236934 343581693 /nfs/dbraw/zinc/58/16/93/343581693.db2.gz MZABCOONKFFMOR-JLLWLGSASA-N 1 0 213.321 1.305 10 0 BDAERO CN1CCC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712541870 537791796 /nfs/dbraw/zinc/79/17/96/537791796.db2.gz GHSCZXLQNQELGF-LBPRGKRZSA-N 1 0 222.357 1.815 10 0 BDAERO CSCc1nc(C2([NH3+])CC2)cs1 ZINC000165517284 343607249 /nfs/dbraw/zinc/60/72/49/343607249.db2.gz BFAMOWYHDOPNKQ-UHFFFAOYSA-N 1 0 200.332 1.954 10 0 BDAERO CCN(CC[NH3+])c1ccc(C#N)c(C)n1 ZINC000379803500 343629596 /nfs/dbraw/zinc/62/95/96/343629596.db2.gz NANVZJKJLPOTTA-UHFFFAOYSA-N 1 0 204.277 1.047 10 0 BDAERO c1cc2c(s1)[C@]1(CN3CCC1CC3)[NH2+]CC2 ZINC000712588139 537795382 /nfs/dbraw/zinc/79/53/82/537795382.db2.gz UYWYECRIJTWJLS-CYBMUJFWSA-N 1 0 234.368 1.815 10 0 BDAERO C[C@H]1C[C@@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712581056 537795538 /nfs/dbraw/zinc/79/55/38/537795538.db2.gz BZASNTHSSOFQEC-KWQFWETISA-N 1 0 209.314 1.898 10 0 BDAERO C=Cn1cc(C[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000232570142 537800317 /nfs/dbraw/zinc/80/03/17/537800317.db2.gz AKOBEGNIRAXBQV-LBPRGKRZSA-N 1 0 221.304 1.642 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2ncc(C)cn2)C1 ZINC000390654011 537800912 /nfs/dbraw/zinc/80/09/12/537800912.db2.gz QBHUNAGZCKTGEW-WDEREUQCSA-N 1 0 220.320 1.537 10 0 BDAERO C[C@@H]1[C@H](N)c2cccc(F)c2S1(=O)=O ZINC000043641131 343652917 /nfs/dbraw/zinc/65/29/17/343652917.db2.gz DJOSWJIVEIMYCB-XRGYYRRGSA-N 1 0 215.249 1.001 10 0 BDAERO COc1ccc(C)cc1[C@@H]1CC[NH+]=C(N)N1 ZINC000300033560 537802457 /nfs/dbraw/zinc/80/24/57/537802457.db2.gz XPBRXMFBESXUIQ-JTQLQIEISA-N 1 0 219.288 1.353 10 0 BDAERO CC(C)(C)OC(=O)c1cc(C[NH3+])ccn1 ZINC000150028671 537803714 /nfs/dbraw/zinc/80/37/14/537803714.db2.gz XVOXIVVACVHQNE-UHFFFAOYSA-N 1 0 208.261 1.496 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(CO)o2)C1 ZINC000083924656 343685053 /nfs/dbraw/zinc/68/50/53/343685053.db2.gz GZRNIILDLNRGIJ-LLVKDONJSA-N 1 0 238.331 1.346 10 0 BDAERO Cc1cc(NN)[nH+]c(CC(F)(F)F)n1 ZINC000051152401 346963155 /nfs/dbraw/zinc/96/31/55/346963155.db2.gz KPZHEIXPNPSVIZ-UHFFFAOYSA-N 1 0 206.171 1.175 10 0 BDAERO CC1CC(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000621676597 343719352 /nfs/dbraw/zinc/71/93/52/343719352.db2.gz VABRHWYMQKCKAD-KIDURHIOSA-N 1 0 224.348 1.524 10 0 BDAERO CCCn1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cn1 ZINC000227285270 343722547 /nfs/dbraw/zinc/72/25/47/343722547.db2.gz DTFKQNDNUUVYSB-CHWSQXEVSA-N 1 0 237.347 1.686 10 0 BDAERO [NH3+][C@H]1CCCN(CC(=O)c2ccc(F)cc2)C1 ZINC000050149652 343782465 /nfs/dbraw/zinc/78/24/65/343782465.db2.gz CKJRVYSAOJIXGF-LBPRGKRZSA-N 1 0 236.290 1.432 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@H](C2CC2)C1 ZINC000144133241 343786171 /nfs/dbraw/zinc/78/61/71/343786171.db2.gz AODHHHHJHRBGHB-UWVGGRQHSA-N 1 0 226.320 1.591 10 0 BDAERO CNc1cc(NCc2cccnc2)nc(C)[nH+]1 ZINC000128687448 343787241 /nfs/dbraw/zinc/78/72/41/343787241.db2.gz SWIOGUXPPBRDBI-UHFFFAOYSA-N 1 0 229.287 1.834 10 0 BDAERO [NH3+][C@@H]1CCN(c2cc(-c3ccco3)[nH]n2)C1 ZINC000129670693 343788150 /nfs/dbraw/zinc/78/81/50/343788150.db2.gz QVBUWHBFGCTIFN-MRVPVSSYSA-N 1 0 218.260 1.207 10 0 BDAERO [NH3+]CCCc1cnn(CC(F)(F)F)c1 ZINC000307914352 343790035 /nfs/dbraw/zinc/79/00/35/343790035.db2.gz AVSHSTYPNOMRJX-UHFFFAOYSA-N 1 0 207.199 1.337 10 0 BDAERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336663674 537815970 /nfs/dbraw/zinc/81/59/70/537815970.db2.gz KXGNAYIWDMZNMD-BJDJZHNGSA-N 1 0 224.348 1.678 10 0 BDAERO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000336658158 537820481 /nfs/dbraw/zinc/82/04/81/537820481.db2.gz IOEQGOXPIFHICF-FRRDWIJNSA-N 1 0 226.364 1.341 10 0 BDAERO COc1cccc([C@H](F)CN2CC[NH2+]CC2)c1 ZINC000409422377 343813247 /nfs/dbraw/zinc/81/32/47/343813247.db2.gz DDJSIVLWPZEXLA-CYBMUJFWSA-N 1 0 238.306 1.611 10 0 BDAERO COc1ccccc1[C@H](F)CN1CC[NH2+]CC1 ZINC000409422380 343813404 /nfs/dbraw/zinc/81/34/04/343813404.db2.gz DGBRGWAQTGFJQM-GFCCVEGCSA-N 1 0 238.306 1.611 10 0 BDAERO Cc1cc(-c2nc([C@H]3CC[NH2+]C3)no2)no1 ZINC000409423288 343815344 /nfs/dbraw/zinc/81/53/44/343815344.db2.gz PNSUEBBIIOOLSB-ZETCQYMHSA-N 1 0 220.232 1.110 10 0 BDAERO COCc1cn(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000409423616 343815748 /nfs/dbraw/zinc/81/57/48/343815748.db2.gz CHFAYYXJMBLKBL-LBPRGKRZSA-N 1 0 232.287 1.125 10 0 BDAERO CC(C)(C)c1cc(N2CCC(C[NH3+])CC2)n[nH]1 ZINC000409424332 343817172 /nfs/dbraw/zinc/81/71/72/343817172.db2.gz YNYSCWJLVLNJSD-UHFFFAOYSA-N 1 0 236.363 1.882 10 0 BDAERO CCOC[C@@H]1CC(F)(F)CN1C1CC[NH2+]CC1 ZINC000409425938 343821017 /nfs/dbraw/zinc/82/10/17/343821017.db2.gz BIMDMTOZGLXRFE-NSHDSACASA-N 1 0 248.317 1.485 10 0 BDAERO CCCCNc1cc(OCC[NH3+])nc(C)n1 ZINC000409431424 343823315 /nfs/dbraw/zinc/82/33/15/343823315.db2.gz SQPIFYWYXQROAN-UHFFFAOYSA-N 1 0 224.308 1.335 10 0 BDAERO C/C=C(\C)c1cc(N2CC[NH2+]CC2)nc(C)n1 ZINC000409432194 343825763 /nfs/dbraw/zinc/82/57/63/343825763.db2.gz VBABNNCQBNAGTF-ONNFQVAWSA-N 1 0 232.331 1.618 10 0 BDAERO C[NH2+]CC(=O)N1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409428626 343804278 /nfs/dbraw/zinc/80/42/78/343804278.db2.gz MRBIEBCJSNLTDN-IUCAKERBSA-N 1 0 232.274 1.100 10 0 BDAERO Cc1[nH]nc(-c2cnccn2)c1CCC(N)=[NH2+] ZINC000409441043 343855189 /nfs/dbraw/zinc/85/51/89/343855189.db2.gz PLHFPFOQJLMUIS-UHFFFAOYSA-N 1 0 230.275 1.044 10 0 BDAERO OCc1nc(C[NH+]2CCCC2)c2ccccn21 ZINC000409441225 343855589 /nfs/dbraw/zinc/85/55/89/343855589.db2.gz NZTAEKZGZPDIGW-UHFFFAOYSA-N 1 0 231.299 1.422 10 0 BDAERO COC[C@]12CN(C(N)=[NH2+])C[C@H]1CCCC2 ZINC000409435621 343834209 /nfs/dbraw/zinc/83/42/09/343834209.db2.gz VUGHNVHASDIJKG-KOLCDFICSA-N 1 0 211.309 1.018 10 0 BDAERO COCc1ccc2c(c1)CCN2C(N)=[NH2+] ZINC000409435010 343835586 /nfs/dbraw/zinc/83/55/86/343835586.db2.gz RYXSODSVPMEEFC-UHFFFAOYSA-N 1 0 205.261 1.089 10 0 BDAERO CCN(C(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000409435964 343836582 /nfs/dbraw/zinc/83/65/82/343836582.db2.gz XMYHLYHCUUSHKU-MNOVXSKESA-N 1 0 242.388 1.483 10 0 BDAERO NC(=[NH2+])c1cn(CCF)nc1-c1ccccn1 ZINC000409436762 343837488 /nfs/dbraw/zinc/83/74/88/343837488.db2.gz AFTJOUGQUWQBIV-UHFFFAOYSA-N 1 0 233.250 1.199 10 0 BDAERO [NH2+]=C(NO)[C@@H](c1cccnc1)N1CCCC1 ZINC000409440896 343856725 /nfs/dbraw/zinc/85/67/25/343856725.db2.gz MTAJSFXMVINGFS-SNVBAGLBSA-N 1 0 220.276 1.175 10 0 BDAERO [NH3+]Cc1cc(CCc2ccccc2)ncn1 ZINC000409436552 343839287 /nfs/dbraw/zinc/83/92/87/343839287.db2.gz IIZSNTCZSFMRHX-UHFFFAOYSA-N 1 0 213.284 1.721 10 0 BDAERO CCn1cc(CC[NH3+])c(-c2ccccn2)n1 ZINC000409436965 343841775 /nfs/dbraw/zinc/84/17/75/343841775.db2.gz CTYQIMPDOIJZBJ-UHFFFAOYSA-N 1 0 216.288 1.466 10 0 BDAERO Cn1nc([C@@H]2CCCC[NH2+]2)c2c1CCOC2 ZINC000409437514 343843589 /nfs/dbraw/zinc/84/35/89/343843589.db2.gz HKZQNVFLTWCUSI-JTQLQIEISA-N 1 0 221.304 1.307 10 0 BDAERO CCc1[nH]nc(C(F)(F)F)c1CCC(N)=[NH2+] ZINC000409437496 343843898 /nfs/dbraw/zinc/84/38/98/343843898.db2.gz HEUXZDZTPZGNFZ-UHFFFAOYSA-N 1 0 234.225 1.859 10 0 BDAERO [NH3+]CCCn1ccn2nc(C3CC3)cc12 ZINC000409438835 343845239 /nfs/dbraw/zinc/84/52/39/343845239.db2.gz PCYQMOLROPKEAL-UHFFFAOYSA-N 1 0 204.277 1.362 10 0 BDAERO CC(C)Cc1n[nH]cc1CCN1CC[NH2+]CC1 ZINC000409438781 343845448 /nfs/dbraw/zinc/84/54/48/343845448.db2.gz FYSRBRMFPGPBON-UHFFFAOYSA-N 1 0 236.363 1.056 10 0 BDAERO Cn1nc(-c2ccsc2)c2c1CC[NH2+]C2 ZINC000409439017 343845872 /nfs/dbraw/zinc/84/58/72/343845872.db2.gz NOOGOZQEFKVHFE-UHFFFAOYSA-N 1 0 219.313 1.794 10 0 BDAERO c1nn(C[C@@H]2CCC[NH2+]2)cc1-c1ccccn1 ZINC000409438886 343846028 /nfs/dbraw/zinc/84/60/28/343846028.db2.gz MVIOPXGWXNYEDX-LBPRGKRZSA-N 1 0 228.299 1.697 10 0 BDAERO [NH3+]Cc1cn(CCF)nc1-c1ccccn1 ZINC000409439147 343846463 /nfs/dbraw/zinc/84/64/63/343846463.db2.gz NVUMVEJSMPJGOI-UHFFFAOYSA-N 1 0 220.251 1.373 10 0 BDAERO CC(C)(C)c1cc(N)n(C[C@H]2CCC[NH2+]2)n1 ZINC000409439234 343846837 /nfs/dbraw/zinc/84/68/37/343846837.db2.gz OLKXGLLWPLASJH-SECBINFHSA-N 1 0 222.336 1.515 10 0 BDAERO CC(C)(C)c1cc(N)n([C@H]2CCC[NH2+]C2)n1 ZINC000409439219 343847085 /nfs/dbraw/zinc/84/70/85/343847085.db2.gz OJMHIAZNZWWBQY-VIFPVBQESA-N 1 0 222.336 1.687 10 0 BDAERO Nc1cc(C2CC2)nn1C[C@@H]1CCC[NH2+]1 ZINC000409439639 343848024 /nfs/dbraw/zinc/84/80/24/343848024.db2.gz PWJONVNHDQSTNN-VIFPVBQESA-N 1 0 206.293 1.095 10 0 BDAERO [NH3+]Cc1c(C2CC2)[nH]nc1C1CCOCC1 ZINC000409437965 343849487 /nfs/dbraw/zinc/84/94/87/343849487.db2.gz BGVXFQRGJMCFJH-UHFFFAOYSA-N 1 0 221.304 1.640 10 0 BDAERO Nc1cc(C2CC2)nn1[C@H]1CCC[NH2+]C1 ZINC000409440412 343851819 /nfs/dbraw/zinc/85/18/19/343851819.db2.gz SXCJTZQUZKWPOS-VIFPVBQESA-N 1 0 206.293 1.267 10 0 BDAERO C[NH2+]Cc1cn(CCF)nc1-c1cnccn1 ZINC000409440467 343852469 /nfs/dbraw/zinc/85/24/69/343852469.db2.gz TZFCIEWUYJKNOG-UHFFFAOYSA-N 1 0 235.266 1.029 10 0 BDAERO c1coc(-c2cnn(C[C@H]3CCC[NH2+]3)c2)c1 ZINC000409441455 343858962 /nfs/dbraw/zinc/85/89/62/343858962.db2.gz XZORIYBPPYJBON-LLVKDONJSA-N 1 0 217.272 1.895 10 0 BDAERO C[C@]1(NCc2nnsc2Cl)CC[NH2+]C1 ZINC000230737309 346999655 /nfs/dbraw/zinc/99/96/55/346999655.db2.gz AFPSZTKCTGWCCX-QMMMGPOBSA-N 1 0 232.740 1.033 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)CC ZINC000081925477 537831437 /nfs/dbraw/zinc/83/14/37/537831437.db2.gz YDAKWBCAEDHZNL-NXEZZACHSA-N 1 0 219.350 1.342 10 0 BDAERO C[NH2+][C@@H]1CCC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000409442726 343864342 /nfs/dbraw/zinc/86/43/42/343864342.db2.gz ZTWAGRGEIDLVGH-NEPJUHHUSA-N 1 0 244.294 1.423 10 0 BDAERO CC(C)n1nc([C@@H]2CCC[NH2+]C2)cc1C(N)=O ZINC000409442935 343865161 /nfs/dbraw/zinc/86/51/61/343865161.db2.gz DLTULWYXSAGADA-SECBINFHSA-N 1 0 236.319 1.030 10 0 BDAERO Cn1nc(-c2ccccc2)cc1C(N)=[NH2+] ZINC000409443361 343867195 /nfs/dbraw/zinc/86/71/95/343867195.db2.gz LQCGTJQHSIUFRL-UHFFFAOYSA-N 1 0 200.245 1.371 10 0 BDAERO COCCn1nc(C(F)(F)F)cc1C[NH3+] ZINC000409443463 343867259 /nfs/dbraw/zinc/86/72/59/343867259.db2.gz NJINUJNQVFGGOX-UHFFFAOYSA-N 1 0 223.198 1.007 10 0 BDAERO CC[N@@H+]1CCC[C@H](N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000345363694 343909769 /nfs/dbraw/zinc/90/97/69/343909769.db2.gz WHNFSEROLFOWDY-RWMBFGLXSA-N 1 0 248.374 1.963 10 0 BDAERO CN[C@H](C[NH3+])c1cncc(Br)c1 ZINC000135129175 343940229 /nfs/dbraw/zinc/94/02/29/343940229.db2.gz WMMHEJGERUMIEK-MRVPVSSYSA-N 1 0 230.109 1.063 10 0 BDAERO C[C@@]1(NCc2nnc(Cl)s2)CC[NH2+]C1 ZINC000230744072 347014824 /nfs/dbraw/zinc/01/48/24/347014824.db2.gz LLLDMXCTIFSTIR-MRVPVSSYSA-N 1 0 232.740 1.033 10 0 BDAERO C[C@@H]1C[N@@H+](CC(N)=S)C[C@H](C)S1 ZINC000069908517 343944454 /nfs/dbraw/zinc/94/44/54/343944454.db2.gz NBNXYRJJUCRKBO-KNVOCYPGSA-N 1 0 204.364 1.098 10 0 BDAERO [NH3+][C@H]1CCCCC[C@H]1Nc1nncs1 ZINC000069967444 343945129 /nfs/dbraw/zinc/94/51/29/343945129.db2.gz FEVKSHWQWZDCPA-JGVFFNPUSA-N 1 0 212.322 1.610 10 0 BDAERO C[NH2+][C@H](C=C(C)C)[C@H]1CSCCN1C ZINC000234477907 343974099 /nfs/dbraw/zinc/97/40/99/343974099.db2.gz FTVLXXIBOGQCBL-GHMZBOCLSA-N 1 0 214.378 1.588 10 0 BDAERO C[N@H+](C1CCC1)[C@]1(CN)CCCSC1 ZINC000127219497 344042432 /nfs/dbraw/zinc/04/24/32/344042432.db2.gz FTBAGJWKNMYXBL-NSHDSACASA-N 1 0 214.378 1.695 10 0 BDAERO CC(C)[NH2+][C@@]1(C(N)=O)CCCC(C)(C)C1 ZINC000070629111 343953274 /nfs/dbraw/zinc/95/32/74/343953274.db2.gz XOKKPXPNDVDFEH-LBPRGKRZSA-N 1 0 212.337 1.809 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1[C@@H]1CCS[C@@H]1C ZINC000234393580 343963588 /nfs/dbraw/zinc/96/35/88/343963588.db2.gz WJHLQBSDOBGOST-OUAUKWLOSA-N 1 0 214.378 1.564 10 0 BDAERO CCCNC(=[NH2+])N1CCSC(C)(C)C1 ZINC000135214123 343968477 /nfs/dbraw/zinc/96/84/77/343968477.db2.gz BSTLCRGYKOCHSL-UHFFFAOYSA-N 1 0 215.366 1.748 10 0 BDAERO CC(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000135214817 343968682 /nfs/dbraw/zinc/96/86/82/343968682.db2.gz QXZXVJLRKZQWNS-MRVPVSSYSA-N 1 0 201.335 1.791 10 0 BDAERO [NH3+]C[C@@H](O)Cc1cccc(F)c1Br ZINC000157862650 344055847 /nfs/dbraw/zinc/05/58/47/344055847.db2.gz YREDSYLTNWHWGT-ZETCQYMHSA-N 1 0 248.095 1.450 10 0 BDAERO Cc1nc(C[C@@]2([NH3+])CCO[C@@H]2C)cs1 ZINC000127248137 344078765 /nfs/dbraw/zinc/07/87/65/344078765.db2.gz RJMGKKWATBIYGN-XCBNKYQSSA-N 1 0 212.318 1.500 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](N2CCSCC2)C1 ZINC000401956746 344082250 /nfs/dbraw/zinc/08/22/50/344082250.db2.gz PBRGPUOWIPQJKO-UWVGGRQHSA-N 1 0 200.351 1.033 10 0 BDAERO C/C=C\C[NH2+]Cc1c(C)nn(C)c1OC ZINC000384745514 344088024 /nfs/dbraw/zinc/08/80/24/344088024.db2.gz MUMBCWBRYOCDEE-WAYWQWQTSA-N 1 0 209.293 1.403 10 0 BDAERO O=C(NCc1ccccc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735759 344123226 /nfs/dbraw/zinc/12/32/26/344123226.db2.gz QCCWWMHJXNPKQQ-ZFWWWQNUSA-N 1 0 244.338 1.693 10 0 BDAERO C[C@@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC000634736196 344127027 /nfs/dbraw/zinc/12/70/27/344127027.db2.gz DEJZFILERVLIDX-CDMKHQONSA-N 1 0 222.332 1.291 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]1COC ZINC000683995494 488253960 /nfs/dbraw/zinc/25/39/60/488253960.db2.gz SUSTVXQDWPQIGU-QWHCGFSZSA-N 1 0 245.363 1.275 10 0 BDAERO O=C1CCCCC[C@@H]1[N@@H+]1CC[C@H](CO)C1 ZINC000165921141 344213498 /nfs/dbraw/zinc/21/34/98/344213498.db2.gz HOSDTKPUOZHNQY-QWRGUYRKSA-N 1 0 211.305 1.202 10 0 BDAERO COCCC(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000616570941 344179268 /nfs/dbraw/zinc/17/92/68/344179268.db2.gz IFWZOYLOBWZQHI-UHFFFAOYSA-N 1 0 242.363 1.246 10 0 BDAERO CC(C)(C[NH3+])c1nc(C(F)(F)F)n[nH]1 ZINC000616573702 344185991 /nfs/dbraw/zinc/18/59/91/344185991.db2.gz KJTQCGYMPHEMPH-UHFFFAOYSA-N 1 0 208.187 1.060 10 0 BDAERO COCCC[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000616577808 344201143 /nfs/dbraw/zinc/20/11/43/344201143.db2.gz MLPBOILRFJWZBJ-NEPJUHHUSA-N 1 0 244.404 1.192 10 0 BDAERO COCCC[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000616577814 344201316 /nfs/dbraw/zinc/20/13/16/344201316.db2.gz MLPBOILRFJWZBJ-RYUDHWBXSA-N 1 0 244.404 1.192 10 0 BDAERO Cn1c2cc(F)ccc2nc1NCCC[NH3+] ZINC000212503153 344263689 /nfs/dbraw/zinc/26/36/89/344263689.db2.gz XEDNSBKSWKRPTN-UHFFFAOYSA-N 1 0 222.267 1.473 10 0 BDAERO Cc1ccc(C[C@H]([NH3+])[C@@H]2CCOC2)cc1 ZINC000048627598 178652308 /nfs/dbraw/zinc/65/23/08/178652308.db2.gz UFQNCFDZBPYGNL-OLZOCXBDSA-N 1 0 205.301 1.901 10 0 BDAERO COC[C@H]1CCC[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000234837047 344273973 /nfs/dbraw/zinc/27/39/73/344273973.db2.gz VSQVPKJNPMZISO-WDEREUQCSA-N 1 0 211.305 1.466 10 0 BDAERO Cc1c(O[C@H](C)C2=[NH+]CCN2)cccc1N(C)C ZINC000027656083 344283957 /nfs/dbraw/zinc/28/39/57/344283957.db2.gz MJIPBMLKTQAHCQ-LLVKDONJSA-N 1 0 247.342 1.830 10 0 BDAERO CCc1nc(C)cc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000384989268 344285890 /nfs/dbraw/zinc/28/58/90/344285890.db2.gz LVVVOSHHQHOYJV-VHSXEESVSA-N 1 0 220.320 1.273 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1nc(C2CC2)ns1 ZINC000384991743 344288825 /nfs/dbraw/zinc/28/88/25/344288825.db2.gz MQJXBFMJYLMEIY-SVRRBLITSA-N 1 0 224.333 1.341 10 0 BDAERO Cc1csc([C@]2(N)C[C@H](C)[N@@H+](C)C2)n1 ZINC000127396502 344292156 /nfs/dbraw/zinc/29/21/56/344292156.db2.gz ACGWILRITJIOKF-WPRPVWTQSA-N 1 0 211.334 1.330 10 0 BDAERO CSC[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000400113269 344319680 /nfs/dbraw/zinc/31/96/80/344319680.db2.gz IBUHDKHCAQVSND-QWRGUYRKSA-N 1 0 244.404 1.714 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1nccc2occc21 ZINC000385090553 344322931 /nfs/dbraw/zinc/32/29/31/344322931.db2.gz LVMNVNUUYINQEG-IUCAKERBSA-N 1 0 217.272 1.754 10 0 BDAERO CCc1ncnc(N2C[C@H]([NH3+])C[C@@H]2C)c1F ZINC000385128299 344334112 /nfs/dbraw/zinc/33/41/12/344334112.db2.gz XSJWBXPUMZIBST-JGVFFNPUSA-N 1 0 224.283 1.104 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1cnc2ccccc2n1 ZINC000385157132 344355854 /nfs/dbraw/zinc/35/58/54/344355854.db2.gz AJBGSCVGYJCGRO-VHSXEESVSA-N 1 0 228.299 1.556 10 0 BDAERO Cc1ccc(C(=O)CN2CC[C@@H](O)C2)c(C)c1 ZINC000061711054 344357645 /nfs/dbraw/zinc/35/76/45/344357645.db2.gz TYIULOSMOZYEDR-GFCCVEGCSA-N 1 0 233.311 1.553 10 0 BDAERO Cn1nnc(Br)c1[C@H]1CC[C@H]([NH3+])C1 ZINC000236143145 344301169 /nfs/dbraw/zinc/30/11/69/344301169.db2.gz NLTBQFIFTATSSD-WDSKDSINSA-N 1 0 245.124 1.172 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@H]1c1cccnn1 ZINC000616597462 344424266 /nfs/dbraw/zinc/42/42/66/344424266.db2.gz FZUIXFARGXWPTD-LBPRGKRZSA-N 1 0 221.304 1.648 10 0 BDAERO Cc1cc(C)nc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385252099 344386357 /nfs/dbraw/zinc/38/63/57/344386357.db2.gz OCUVZMFSNVBQKE-ZJUUUORDSA-N 1 0 206.293 1.019 10 0 BDAERO O[C@@]1(c2scnc2Br)CC[NH2+]C1 ZINC000236527678 344395915 /nfs/dbraw/zinc/39/59/15/344395915.db2.gz GGRKDHAKIFYHEQ-ZETCQYMHSA-N 1 0 249.133 1.087 10 0 BDAERO COC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000042251379 344447931 /nfs/dbraw/zinc/44/79/31/344447931.db2.gz UCIIUEDTTDKXDL-WDEREUQCSA-N 1 0 227.304 1.193 10 0 BDAERO CC(C)(C)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000150304242 344450175 /nfs/dbraw/zinc/45/01/75/344450175.db2.gz QBRNUCMWGDCPDO-UHFFFAOYSA-N 1 0 219.350 1.294 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](c2cccc(N)n2)C1 ZINC000616613777 344523597 /nfs/dbraw/zinc/52/35/97/344523597.db2.gz QGLVPKJKAKRJQK-JTQLQIEISA-N 1 0 205.305 1.862 10 0 BDAERO CN(Cc1ccccc1)c1nc(C[NH3+])co1 ZINC000166103332 344524916 /nfs/dbraw/zinc/52/49/16/344524916.db2.gz YXKNJAYRKQDIPE-UHFFFAOYSA-N 1 0 217.272 1.770 10 0 BDAERO C[C@@H]1C[C@](O)(Cc2nccs2)C[N@@H+]1C ZINC000127472928 344547085 /nfs/dbraw/zinc/54/70/85/344547085.db2.gz JALCHFYJQGAOPI-SCZZXKLOSA-N 1 0 212.318 1.141 10 0 BDAERO C[C@H]1C[C@@](O)(Cc2nccs2)C[N@@H+]1C ZINC000127473595 344547330 /nfs/dbraw/zinc/54/73/30/344547330.db2.gz JALCHFYJQGAOPI-WCBMZHEXSA-N 1 0 212.318 1.141 10 0 BDAERO CC(C)Oc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)ncn1 ZINC000220543095 344547901 /nfs/dbraw/zinc/54/79/01/344547901.db2.gz FGIIGQZIWPFTAE-MNOVXSKESA-N 1 0 248.330 1.062 10 0 BDAERO F[C@H](C1CC[NH2+]CC1)C1CCOCC1 ZINC000158140969 344554924 /nfs/dbraw/zinc/55/49/24/344554924.db2.gz HZSUMFPYSOWSTR-LLVKDONJSA-N 1 0 201.285 1.751 10 0 BDAERO C[C@@H]1C[C@H](C)N(Cc2nnsc2N)C1 ZINC000158205930 344564031 /nfs/dbraw/zinc/56/40/31/344564031.db2.gz DBMSMDHLGXTPOM-RQJHMYQMSA-N 1 0 212.322 1.351 10 0 BDAERO [NH3+][C@H]1CCCN(CC(=O)C2CCCC2)C1 ZINC000158230463 344567762 /nfs/dbraw/zinc/56/77/62/344567762.db2.gz XNQSKRDIHZBRRN-NSHDSACASA-N 1 0 210.321 1.169 10 0 BDAERO [NH3+][C@H]1CN(Cc2cccc(Cl)c2)C1=O ZINC000227624258 344672552 /nfs/dbraw/zinc/67/25/52/344672552.db2.gz LCVAMTSMTBEHEX-VIFPVBQESA-N 1 0 210.664 1.010 10 0 BDAERO C[C@H]1C[C@@]2(C[N@@H+]1C)NCC[C@@H](C)S2 ZINC000127755880 344643443 /nfs/dbraw/zinc/64/34/43/344643443.db2.gz JPLHSXSGFLXEGJ-IVZWLZJFSA-N 1 0 200.351 1.522 10 0 BDAERO Cn1ncnc1S[C@@H]1CCCC[NH2+]C1 ZINC000128034268 344719677 /nfs/dbraw/zinc/71/96/77/344719677.db2.gz JBRIYZMHDHDUHY-MRVPVSSYSA-N 1 0 212.322 1.049 10 0 BDAERO C1C[C@H](N2CCC[C@@H]3C[NH2+]C[C@@H]32)CS1 ZINC000221359265 344734370 /nfs/dbraw/zinc/73/43/70/344734370.db2.gz LJIXFYUVSQOBFD-VWYCJHECSA-N 1 0 212.362 1.176 10 0 BDAERO C[C@@H]1C[S@@](=O)C[C@H](C2CCCCC2)[NH2+]1 ZINC000158676872 344715853 /nfs/dbraw/zinc/71/58/53/344715853.db2.gz HLABUTJTNJUIEK-UDZFHETQSA-N 1 0 215.362 1.676 10 0 BDAERO CSc1nccc(C(N)=[NH2+])c1Cl ZINC000235073558 344763092 /nfs/dbraw/zinc/76/30/92/344763092.db2.gz QSPUNZNAKUIYLM-UHFFFAOYSA-N 1 0 201.682 1.741 10 0 BDAERO Nc1ccnc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000117951859 344765568 /nfs/dbraw/zinc/76/55/68/344765568.db2.gz HGIIQAVLRPBQRH-UHFFFAOYSA-N 1 0 247.346 1.123 10 0 BDAERO c1c(C[NH2+]CC[C@@H]2CCCO2)nc2ccccn12 ZINC000038097293 344780432 /nfs/dbraw/zinc/78/04/32/344780432.db2.gz LDHZYXSKKKUYGY-ZDUSSCGKSA-N 1 0 245.326 1.993 10 0 BDAERO C[C@](O)(C[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000166176772 344766518 /nfs/dbraw/zinc/76/65/18/344766518.db2.gz PYNFRSPKBRJRGL-SFYZADRCSA-N 1 0 211.227 1.832 10 0 BDAERO c1nc2c([nH]1)[C@@H]([C@H]1CC=CCC1)[NH2+]CC2 ZINC000400404143 537855519 /nfs/dbraw/zinc/85/55/19/537855519.db2.gz RZGGRXUMSJHYSW-GXSJLCMTSA-N 1 0 203.289 1.953 10 0 BDAERO Cc1nc(C)c([C@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000400450862 537856240 /nfs/dbraw/zinc/85/62/40/537856240.db2.gz GDSDEODILMFNMP-JTQLQIEISA-N 1 0 234.328 1.718 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)c1ccnn1C(C)C ZINC000300733846 537856960 /nfs/dbraw/zinc/85/69/60/537856960.db2.gz FMTSGUOTJXRUNZ-LLVKDONJSA-N 1 0 211.309 1.495 10 0 BDAERO COC[C@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000309496559 347077433 /nfs/dbraw/zinc/07/74/33/347077433.db2.gz YNEMRIVEVSDNRK-NSHDSACASA-N 1 0 230.352 1.256 10 0 BDAERO Cc1nsc(N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000083649183 133528442 /nfs/dbraw/zinc/52/84/42/133528442.db2.gz GJZHQNNCHDFZRY-CBAPKCEASA-N 1 0 226.349 1.410 10 0 BDAERO CCCc1nsc(NCC[C@H](C)[NH3+])n1 ZINC000083670508 133529409 /nfs/dbraw/zinc/52/94/09/133529409.db2.gz KTOTUXVIKJVWNG-ZETCQYMHSA-N 1 0 214.338 1.640 10 0 BDAERO CSC1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC000235249163 344856823 /nfs/dbraw/zinc/85/68/23/344856823.db2.gz XPYOQPYWZVWXDW-WHXUTIOJSA-N 1 0 214.378 1.694 10 0 BDAERO C[C@@H]1C[C@@H](C(=O)NCc2ccccc2)CC[NH2+]1 ZINC000235385037 344899493 /nfs/dbraw/zinc/89/94/93/344899493.db2.gz YMYXCCSZUXZJMT-YPMHNXCESA-N 1 0 232.327 1.691 10 0 BDAERO Cc1nc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)[nH]c1C ZINC000628176162 344900631 /nfs/dbraw/zinc/90/06/31/344900631.db2.gz YNXBOFOLVJRIJF-MFKMUULPSA-N 1 0 248.374 1.695 10 0 BDAERO Cc1ncc(C[N@@H+]2CC[C@@H](CCO)C2)o1 ZINC000628176973 344905963 /nfs/dbraw/zinc/90/59/63/344905963.db2.gz FQTWXURDVCRJQS-JTQLQIEISA-N 1 0 210.277 1.187 10 0 BDAERO C[C@H]([NH3+])[C@H](C)c1c(Br)nnn1C ZINC000235493645 344925219 /nfs/dbraw/zinc/92/52/19/344925219.db2.gz ZINQZURMHRAZPI-WHFBIAKZSA-N 1 0 233.113 1.028 10 0 BDAERO C[NH2+][C@H]1CCC(C)(C)C[C@H]1S(C)(=O)=O ZINC000070623304 537873868 /nfs/dbraw/zinc/87/38/68/537873868.db2.gz ULLJHQFPRJPWFZ-DTWKUNHWSA-N 1 0 219.350 1.198 10 0 BDAERO C[C@H](C[NH3+])Nc1ccc(Br)nc1 ZINC000235466343 344921352 /nfs/dbraw/zinc/92/13/52/344921352.db2.gz KIHARAVGKLFGQY-ZCFIWIBFSA-N 1 0 230.109 1.603 10 0 BDAERO O=C1CCOC[C@H]1[C@H]1CCCCCC[NH2+]1 ZINC000301032305 537880250 /nfs/dbraw/zinc/88/02/50/537880250.db2.gz RVLUXTPKUDMDHR-WDEREUQCSA-N 1 0 211.305 1.514 10 0 BDAERO CO[C@@H](C)C[NH2+]CCNCc1ccccc1 ZINC000224611167 344956325 /nfs/dbraw/zinc/95/63/25/344956325.db2.gz IGFOFRFCHFZMNS-LBPRGKRZSA-N 1 0 222.332 1.401 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CC2)C[C@H](C)S1 ZINC000235638028 344961204 /nfs/dbraw/zinc/96/12/04/344961204.db2.gz MUXXUGOCSBODOG-DTORHVGOSA-N 1 0 200.351 1.304 10 0 BDAERO COC(=O)c1ccc(N2C[C@@H]([NH3+])C[C@H]2C)nc1C ZINC000600963557 344947880 /nfs/dbraw/zinc/94/78/80/344947880.db2.gz YCYAOHUTHJZMQE-SCZZXKLOSA-N 1 0 249.314 1.103 10 0 BDAERO [NH3+][C@H](CCO)c1cccc2c1OC(F)(F)O2 ZINC000044233379 344988925 /nfs/dbraw/zinc/98/89/25/344988925.db2.gz UOSMNBYRHURLON-SSDOTTSWSA-N 1 0 231.198 1.390 10 0 BDAERO COc1cccnc1N1CC[C@](C)(C[NH3+])C1 ZINC000234946871 537882524 /nfs/dbraw/zinc/88/25/24/537882524.db2.gz BYOXZSZLKBWOGY-GFCCVEGCSA-N 1 0 221.304 1.265 10 0 BDAERO CCOC(=O)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000238269301 345005112 /nfs/dbraw/zinc/00/51/12/345005112.db2.gz XJACCJHORRQXAX-NXEZZACHSA-N 1 0 212.293 1.217 10 0 BDAERO C[C@H](C(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)C(C)(C)C ZINC000675053559 537885207 /nfs/dbraw/zinc/88/52/07/537885207.db2.gz IIYZZVNCAJIFOA-DBIOUOCHSA-N 1 0 224.348 1.332 10 0 BDAERO COc1cc(F)c([C@@H]([NH3+])CF)c(F)c1 ZINC000238349887 345027052 /nfs/dbraw/zinc/02/70/52/345027052.db2.gz URXKXQBEHYSDCH-QMMMGPOBSA-N 1 0 205.179 1.943 10 0 BDAERO Cn1cccc1[C@H]([NH3+])c1cccc(O)c1 ZINC000011848704 345031344 /nfs/dbraw/zinc/03/13/44/345031344.db2.gz DJXGIYVUGOPMTN-GFCCVEGCSA-N 1 0 202.257 1.779 10 0 BDAERO [NH3+][C@H](Cn1cccn1)c1ccc2c(c1)OCCO2 ZINC000011849993 345033490 /nfs/dbraw/zinc/03/34/90/345033490.db2.gz QMHOCPQFCMBYEC-LLVKDONJSA-N 1 0 245.282 1.354 10 0 BDAERO FC(F)(F)c1cccnc1C1C[NH2+]C1 ZINC000238576197 345082577 /nfs/dbraw/zinc/08/25/77/345082577.db2.gz IBYYJLWMTKINIK-UHFFFAOYSA-N 1 0 202.179 1.787 10 0 BDAERO CCC1CCC([NH3+])(c2nc(COC)no2)CC1 ZINC000049672044 168518945 /nfs/dbraw/zinc/51/89/45/168518945.db2.gz LYARYVWNARKUAR-UHFFFAOYSA-N 1 0 239.319 1.970 10 0 BDAERO Cn1cc([C@@H]2CCCN2CC23CC(C2)C[NH2+]3)cn1 ZINC000634992168 345179998 /nfs/dbraw/zinc/17/99/98/345179998.db2.gz GKAPOVQXVPXNQV-QRMWWUJWSA-N 1 0 246.358 1.309 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634950414 345127488 /nfs/dbraw/zinc/12/74/88/345127488.db2.gz RCPOEIHPAFKDGW-GHMZBOCLSA-N 1 0 233.377 1.588 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634966810 345139595 /nfs/dbraw/zinc/13/95/95/345139595.db2.gz ZACUUUZOEQVJRV-WOPDTQHZSA-N 1 0 245.388 1.732 10 0 BDAERO Cc1ccc([C@@H](C)N2C[C@@H]([NH3+])CC2=O)s1 ZINC000049185899 178834413 /nfs/dbraw/zinc/83/44/13/178834413.db2.gz PBHCCTHXARQPDB-BDAKNGLRSA-N 1 0 224.329 1.677 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC[NH2+]C2)o1 ZINC000062113461 178837943 /nfs/dbraw/zinc/83/79/43/178837943.db2.gz GQGAHSATAAKJKY-NXEZZACHSA-N 1 0 222.288 1.375 10 0 BDAERO O=[n+]1c2cc(F)ccc2n(O)c2c1CCCC2 ZINC000377829930 345310419 /nfs/dbraw/zinc/31/04/19/345310419.db2.gz XBXYPJIMRHGYPX-UHFFFAOYSA-N 1 0 235.238 1.811 10 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CCN([C@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000249922019 362588079 /nfs/dbraw/zinc/58/80/79/362588079.db2.gz LLUIUSWLECRFLA-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO CCOC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000070243351 345549205 /nfs/dbraw/zinc/54/92/05/345549205.db2.gz ODYHJZDMCZBIAY-UHFFFAOYSA-N 1 0 214.309 1.605 10 0 BDAERO CC(C)C[C@@H]([NH3+])CN1CCn2ccnc2C1 ZINC000062321509 192089291 /nfs/dbraw/zinc/08/92/91/192089291.db2.gz SBRCOTHTCZQXRM-LLVKDONJSA-N 1 0 222.336 1.072 10 0 BDAERO CC(C)[C@H](C)CC(=O)NCC(C)(C)[NH3+] ZINC000236630636 192089348 /nfs/dbraw/zinc/08/93/48/192089348.db2.gz UROXZKFZBMVHHO-SECBINFHSA-N 1 0 200.326 1.522 10 0 BDAERO c1cc2c(s1)CC[NH2+][C@@]21CN2CCC1CC2 ZINC000403284664 537900190 /nfs/dbraw/zinc/90/01/90/537900190.db2.gz VHGOJFZFDSVARU-CYBMUJFWSA-N 1 0 234.368 1.815 10 0 BDAERO CCOC(=O)c1ccc2c(c1)CC[NH2+]C2 ZINC000115048123 537901262 /nfs/dbraw/zinc/90/12/62/537901262.db2.gz LBGFJGKENZDTIY-UHFFFAOYSA-N 1 0 205.257 1.509 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000236733813 192089574 /nfs/dbraw/zinc/08/95/74/192089574.db2.gz ZHOZVGZCXRVLHZ-LLVKDONJSA-N 1 0 220.320 1.457 10 0 BDAERO CC(C)=CC[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000236732700 192089576 /nfs/dbraw/zinc/08/95/76/192089576.db2.gz QONLZIBFPMAEKE-CYBMUJFWSA-N 1 0 224.348 1.405 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000161571937 345646967 /nfs/dbraw/zinc/64/69/67/345646967.db2.gz KSFAQTRQVIPVBG-QWRGUYRKSA-N 1 0 228.336 1.010 10 0 BDAERO CCOC(=O)C(C)(C)Oc1cccc(C[NH3+])c1 ZINC000088346746 345751675 /nfs/dbraw/zinc/75/16/75/345751675.db2.gz FXKCQNAXYWMJAD-UHFFFAOYSA-N 1 0 237.299 1.866 10 0 BDAERO COC1=Nc2ccccc2[C@@]12CC[N@H+](C)C2 ZINC000205743876 345756816 /nfs/dbraw/zinc/75/68/16/345756816.db2.gz ZUUAQWLDDHDCGQ-ZDUSSCGKSA-N 1 0 216.284 1.950 10 0 BDAERO COc1ccc2oc(N[C@H](C)C[NH3+])nc2c1 ZINC000212440249 345734034 /nfs/dbraw/zinc/73/40/34/345734034.db2.gz CIOXFTIFZDKPRP-SSDOTTSWSA-N 1 0 221.260 1.596 10 0 BDAERO C[C@@H]1CCn2cc([C@@H]3CCC[NH2+]C3)nc2C1 ZINC000258172741 345781109 /nfs/dbraw/zinc/78/11/09/345781109.db2.gz DZQRCSTZIUNKGO-GHMZBOCLSA-N 1 0 219.332 1.932 10 0 BDAERO C[C@@H](C(=O)[O-])[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000257753915 345781983 /nfs/dbraw/zinc/78/19/83/345781983.db2.gz METIVJCGGWAYOS-JTQLQIEISA-N 1 0 226.320 1.020 10 0 BDAERO [NH3+]CC1([C@H](O)c2ncc(Cl)s2)CC1 ZINC000306268876 537912041 /nfs/dbraw/zinc/91/20/41/537912041.db2.gz LGUGWMLBKQBVLZ-ZCFIWIBFSA-N 1 0 218.709 1.569 10 0 BDAERO Cc1cccc2c1C(=O)OC21CC[NH2+]CC1 ZINC000215507678 345847046 /nfs/dbraw/zinc/84/70/46/345847046.db2.gz OPBKEEQBQFWLPP-UHFFFAOYSA-N 1 0 217.268 1.744 10 0 BDAERO CN[C@H](C(=O)OC(C)(C)C)C(C)(C)C[NH2+]C ZINC000142290121 345867318 /nfs/dbraw/zinc/86/73/18/345867318.db2.gz VSZJJCBIFMECHX-SECBINFHSA-N 1 0 230.352 1.162 10 0 BDAERO OC1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000236468786 537916749 /nfs/dbraw/zinc/91/67/49/537916749.db2.gz HWVAJOUDAPCQOB-RSJDFQLWSA-N 1 0 213.321 1.183 10 0 BDAERO C[C@@H]1[C@@H](C)[C@H](C)CN1CC(F)(F)CN ZINC000307499336 537923327 /nfs/dbraw/zinc/92/33/27/537923327.db2.gz LIHDAWTXLCFNEI-HRDYMLBCSA-N 1 0 206.280 1.557 10 0 BDAERO CCn1c2ncccc2nc1C1CC[NH2+]CC1 ZINC000082542322 345909501 /nfs/dbraw/zinc/90/95/01/345909501.db2.gz GAIGANYWJQNBLB-UHFFFAOYSA-N 1 0 230.315 1.918 10 0 BDAERO Cc1cc(F)cc2c1NC(=O)[C@H]2CC[NH3+] ZINC000235807340 345917048 /nfs/dbraw/zinc/91/70/48/345917048.db2.gz JFTPKVSTNWISTH-QMMMGPOBSA-N 1 0 208.236 1.519 10 0 BDAERO [NH3+]C1CN(Cc2ccc(F)cc2Cl)C1 ZINC000083636489 345919553 /nfs/dbraw/zinc/91/95/53/345919553.db2.gz YGYYXDVPOWANDR-UHFFFAOYSA-N 1 0 214.671 1.622 10 0 BDAERO [NH3+]C1CN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000083635078 345919644 /nfs/dbraw/zinc/91/96/44/345919644.db2.gz IWRPIHVDNAEVNO-UHFFFAOYSA-N 1 0 228.654 1.262 10 0 BDAERO CCc1nc(CC[NH2+][C@H]2CCC2(C)C)no1 ZINC000381451344 345925001 /nfs/dbraw/zinc/92/50/01/345925001.db2.gz HLCOYJYTXWWJFT-VIFPVBQESA-N 1 0 223.320 1.953 10 0 BDAERO Cc1nc(NCc2cccnc2)cc(N)[nH+]1 ZINC000087808434 345941812 /nfs/dbraw/zinc/94/18/12/345941812.db2.gz BJAPWCPZYZFOBR-UHFFFAOYSA-N 1 0 215.260 1.374 10 0 BDAERO CNc1cc(NCCCOC)nc(C)[nH+]1 ZINC000087808456 345941928 /nfs/dbraw/zinc/94/19/28/345941928.db2.gz RHYWTMAHUJRCBM-UHFFFAOYSA-N 1 0 210.281 1.275 10 0 BDAERO CNc1cc(NC[C@@H]2CCCO2)nc(C)[nH+]1 ZINC000087808362 345942355 /nfs/dbraw/zinc/94/23/55/345942355.db2.gz VKNNAIFNOSHQQB-VIFPVBQESA-N 1 0 222.292 1.418 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCCC[C@@H]2CO)o1 ZINC000628218267 345948411 /nfs/dbraw/zinc/94/84/11/345948411.db2.gz ZPVAFKGUDFMOHS-PWSUYJOCSA-N 1 0 224.304 1.624 10 0 BDAERO C[C@H](C(=O)N1CC=CCN1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000628224697 345966346 /nfs/dbraw/zinc/96/63/46/345966346.db2.gz XDZNXBXRXMGTHP-GRYCIOLGSA-N 1 0 237.347 1.151 10 0 BDAERO CC(C)C[C@H]1CSC(NN(C)C)=[NH+]1 ZINC000148807932 346054038 /nfs/dbraw/zinc/05/40/38/346054038.db2.gz GSZGQLABJBZIQK-QMMMGPOBSA-N 1 0 201.339 1.570 10 0 BDAERO CCc1nc(CC[NH2+][C@@H]2C[C@H](C)[C@H]2C)no1 ZINC000381490331 346039986 /nfs/dbraw/zinc/03/99/86/346039986.db2.gz XHBSNFDVYUIQKC-IVZWLZJFSA-N 1 0 223.320 1.809 10 0 BDAERO C[NH2+]Cc1cc(OC)cc(C(=O)OC)c1 ZINC000148357384 346049208 /nfs/dbraw/zinc/04/92/08/346049208.db2.gz KAQCLAALVBCMHY-UHFFFAOYSA-N 1 0 209.245 1.201 10 0 BDAERO CCCOC[C@H]([NH3+])C(=O)NCc1ccccc1 ZINC000095559156 346071365 /nfs/dbraw/zinc/07/13/65/346071365.db2.gz RYSQWWYAZAJIIQ-LBPRGKRZSA-N 1 0 236.315 1.057 10 0 BDAERO [NH3+]Cc1ccnc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000390493309 346073400 /nfs/dbraw/zinc/07/34/00/346073400.db2.gz QEPRNBHQFAJMKX-UHFFFAOYSA-N 1 0 237.137 1.347 10 0 BDAERO [NH3+]CC(F)(F)COCc1ccccc1 ZINC000685956094 537943715 /nfs/dbraw/zinc/94/37/15/537943715.db2.gz XDAIBZPLXYPXQY-UHFFFAOYSA-N 1 0 201.216 1.797 10 0 BDAERO CC[C@H]1CC[C@@H](C)N1C(=O)n1cc[n+](C)c1 ZINC000136382903 346204363 /nfs/dbraw/zinc/20/43/63/346204363.db2.gz AFXYPNIPPAMHCT-MNOVXSKESA-N 1 0 222.312 1.544 10 0 BDAERO [NH3+]C1CN(c2ncc(Br)cc2F)C1 ZINC000236174740 346204952 /nfs/dbraw/zinc/20/49/52/346204952.db2.gz DWHGBNXGABYVAI-UHFFFAOYSA-N 1 0 246.083 1.131 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@H]2CCCCC2=O)CCCO1 ZINC000061919872 346180254 /nfs/dbraw/zinc/18/02/54/346180254.db2.gz KKEIZMCCYCWQEP-GHMZBOCLSA-N 1 0 211.305 1.609 10 0 BDAERO Cc1cccc(-c2nccc(CC[NH3+])n2)c1 ZINC000054833644 178997950 /nfs/dbraw/zinc/99/79/50/178997950.db2.gz OPNOJJRCJFPFJG-UHFFFAOYSA-N 1 0 213.284 1.953 10 0 BDAERO Cn1nnc(Br)c1[C@@H]1CCC[C@H]1[NH3+] ZINC000236124678 346193886 /nfs/dbraw/zinc/19/38/86/346193886.db2.gz YWFRQMOGWXQKIG-PHDIDXHHSA-N 1 0 245.124 1.172 10 0 BDAERO Cc1cccc(C(=O)N(C)C2C[NH2+]C2)c1Cl ZINC000129138847 179004047 /nfs/dbraw/zinc/00/40/47/179004047.db2.gz UHHLMXRQJFAXHU-UHFFFAOYSA-N 1 0 238.718 1.692 10 0 BDAERO [NH3+][C@H]1C[C@@H]1c1occc1Br ZINC000236318392 346224922 /nfs/dbraw/zinc/22/49/22/346224922.db2.gz XRNFERKGTFFQOC-NJGYIYPDSA-N 1 0 202.051 1.857 10 0 BDAERO [NH3+][C@@H]1c2cccc(Br)c2C[C@@H]1CO ZINC000236320610 346224965 /nfs/dbraw/zinc/22/49/65/346224965.db2.gz OSVSUBKJBMPALO-LDWIPMOCSA-N 1 0 242.116 1.614 10 0 BDAERO Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1O ZINC000038049201 179024988 /nfs/dbraw/zinc/02/49/88/179024988.db2.gz PJLVURBICVUVEX-RYUDHWBXSA-N 1 0 248.326 1.700 10 0 BDAERO [NH3+]C[C@](O)(C1=CCCCC1)C(F)(F)F ZINC000675052249 537962510 /nfs/dbraw/zinc/96/25/10/537962510.db2.gz CAFCTIBGOJTMIK-QMMMGPOBSA-N 1 0 209.211 1.739 10 0 BDAERO CC[C@@](C)(C[NH3+])C1(O)CC(SC)C1 ZINC000669378048 537965762 /nfs/dbraw/zinc/96/57/62/537965762.db2.gz RYONEQKVGKZHAU-KYHHOPLUSA-N 1 0 203.351 1.618 10 0 BDAERO CCC[C@H](C[NH3+])[C@@H](O)c1cnsc1 ZINC000669377790 537965935 /nfs/dbraw/zinc/96/59/35/537965935.db2.gz WJSUGWRLBWGHTM-VXNVDRBHSA-N 1 0 200.307 1.552 10 0 BDAERO [NH3+][C@@H](C1=CCCCO1)[C@H]1CSCCO1 ZINC000167620100 346289582 /nfs/dbraw/zinc/28/95/82/346289582.db2.gz PVONNTWETPTLGT-ZJUUUORDSA-N 1 0 215.318 1.140 10 0 BDAERO Cc1nc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)[nH]c1C ZINC000628279774 346290505 /nfs/dbraw/zinc/29/05/05/346290505.db2.gz YONDPUBERPTBOF-SKDRFNHKSA-N 1 0 236.363 1.408 10 0 BDAERO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000096811177 179037699 /nfs/dbraw/zinc/03/76/99/179037699.db2.gz GOLCDURLKNNVAA-CQSZACIVSA-N 1 0 248.370 1.724 10 0 BDAERO Cc1cccc(C)c1N1C[C@@H](C[NH3+])CC1=O ZINC000019669482 179039713 /nfs/dbraw/zinc/03/97/13/179039713.db2.gz BGJNNEADXFSBME-LLVKDONJSA-N 1 0 218.300 1.615 10 0 BDAERO CCC[C@@H](C)C(=O)N(C)CC[NH2+]C(C)C ZINC000669378590 537968262 /nfs/dbraw/zinc/96/82/62/537968262.db2.gz IJOFJTJCEPIQDO-LLVKDONJSA-N 1 0 214.353 1.879 10 0 BDAERO Cc1cccc(C)c1OCC[C@H]([NH3+])CO ZINC000071511931 179045886 /nfs/dbraw/zinc/04/58/86/179045886.db2.gz CAGGTBITRMFUCY-NSHDSACASA-N 1 0 209.289 1.392 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)NC2(C3CC3)CC2)C1 ZINC000381560352 346350822 /nfs/dbraw/zinc/35/08/22/346350822.db2.gz QEMCVWNBQPZFGT-SCZZXKLOSA-N 1 0 208.305 1.173 10 0 BDAERO CCC[C@H](C)C(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669378634 537970475 /nfs/dbraw/zinc/97/04/75/537970475.db2.gz KOFXOHUQXMMYTO-KWQFWETISA-N 1 0 236.306 1.911 10 0 BDAERO CC(C)NC(=O)N(C)CC[NH2+]C(C)C ZINC000669378757 537973501 /nfs/dbraw/zinc/97/35/01/537973501.db2.gz LTCJCJNQFOGRGM-UHFFFAOYSA-N 1 0 201.314 1.034 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000052761841 346373158 /nfs/dbraw/zinc/37/31/58/346373158.db2.gz RRGDAKMHDNPNSE-RYUDHWBXSA-N 1 0 213.321 1.402 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C1(C)CC1 ZINC000669378772 537972629 /nfs/dbraw/zinc/97/26/29/537972629.db2.gz MKECQPUDGMUXMB-NXEZZACHSA-N 1 0 210.321 1.148 10 0 BDAERO CC(C)[NH2+]CCN(C)C(=O)NC(C)(C)C ZINC000669378818 537971503 /nfs/dbraw/zinc/97/15/03/537971503.db2.gz OLTOFFKHOOAFHL-UHFFFAOYSA-N 1 0 215.341 1.424 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000669379110 537975106 /nfs/dbraw/zinc/97/51/06/537975106.db2.gz XQOXHNFEQAMQTN-UWVGGRQHSA-N 1 0 227.352 1.328 10 0 BDAERO Cc1cccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000051576611 179080267 /nfs/dbraw/zinc/08/02/67/179080267.db2.gz NNIPQDNDOSZGLB-ZWNOBZJWSA-N 1 0 219.332 1.559 10 0 BDAERO C[C@@H](C[NH3+])Sc1cc(F)ccc1N ZINC000160252339 346445818 /nfs/dbraw/zinc/44/58/18/346445818.db2.gz FVWKRFDVWKUKCF-LURJTMIESA-N 1 0 200.282 1.847 10 0 BDAERO CC(C)(C)OC(=O)c1ccn2c(N)c[nH+]c2c1 ZINC000725241873 537980346 /nfs/dbraw/zinc/98/03/46/537980346.db2.gz UWQODOMZXCVZOE-UHFFFAOYSA-N 1 0 233.271 1.872 10 0 BDAERO Cc1cccnc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170874747 346467541 /nfs/dbraw/zinc/46/75/41/346467541.db2.gz APRWOJVKFJBCNB-NSHDSACASA-N 1 0 248.330 1.558 10 0 BDAERO Cc1cccnc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170874748 346467711 /nfs/dbraw/zinc/46/77/11/346467711.db2.gz APRWOJVKFJBCNB-LLVKDONJSA-N 1 0 248.330 1.558 10 0 BDAERO CC(C)CC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241679 537981467 /nfs/dbraw/zinc/98/14/67/537981467.db2.gz MGAIDUFUVDKWIX-UHFFFAOYSA-N 1 0 210.321 1.387 10 0 BDAERO CCOc1nccnc1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000574976694 346477351 /nfs/dbraw/zinc/47/73/51/346477351.db2.gz UPUZCPLSXZBDLL-ZJUUUORDSA-N 1 0 236.319 1.049 10 0 BDAERO Cc1cccc(C[C@@H](O)C2CC[NH2+]CC2)c1 ZINC000041232881 179104438 /nfs/dbraw/zinc/10/44/38/179104438.db2.gz LYNINEUMALPHRL-CQSZACIVSA-N 1 0 219.328 1.898 10 0 BDAERO CC[C@](O)(C[N@H+](C)C1CC1)C(F)(F)F ZINC000669380166 537983942 /nfs/dbraw/zinc/98/39/42/537983942.db2.gz SKJZRPRJLLBFHQ-QMMMGPOBSA-N 1 0 211.227 1.784 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nnc(C)o1 ZINC000105846246 346560897 /nfs/dbraw/zinc/56/08/97/346560897.db2.gz IDWJQFLBFFVUNE-NSHDSACASA-N 1 0 238.335 1.294 10 0 BDAERO Cc1cccc(N(C)C(=O)[C@H]2C[NH2+]C[C@H]2C)c1 ZINC000104220742 179113707 /nfs/dbraw/zinc/11/37/07/179113707.db2.gz XXLKANWGVZVNQG-YPMHNXCESA-N 1 0 232.327 1.813 10 0 BDAERO CCC[S@](=O)[C@H]1CCC(C)(C)[C@H]1[NH3+] ZINC000250034504 362767706 /nfs/dbraw/zinc/76/77/06/362767706.db2.gz PLEOZZNKLZSANM-RVBZMBCESA-N 1 0 203.351 1.661 10 0 BDAERO Cc1cccc(N(CCC[NH3+])S(C)(=O)=O)c1 ZINC000020232735 179119039 /nfs/dbraw/zinc/11/90/39/179119039.db2.gz PAPXDXDNLOYZOL-UHFFFAOYSA-N 1 0 242.344 1.110 10 0 BDAERO [NH3+]CC1(CNc2ncncc2Cl)CC1 ZINC000163767940 346575754 /nfs/dbraw/zinc/57/57/54/346575754.db2.gz XHDPNGZCXLDOAN-UHFFFAOYSA-N 1 0 212.684 1.281 10 0 BDAERO Cc1nc(C[C@H]([NH3+])c2csnn2)cs1 ZINC000163803624 346577775 /nfs/dbraw/zinc/57/77/75/346577775.db2.gz WVOFQDVOSACYTI-ZETCQYMHSA-N 1 0 226.330 1.546 10 0 BDAERO [NH3+]C[C@H](c1cccs1)N1CCCCO1 ZINC000164215870 346596414 /nfs/dbraw/zinc/59/64/14/346596414.db2.gz FHLRPYCHVWQQAW-SECBINFHSA-N 1 0 212.318 1.775 10 0 BDAERO [NH3+]Cc1nnc(C(F)(F)F)n1C1CC1 ZINC000164598801 346611411 /nfs/dbraw/zinc/61/14/11/346611411.db2.gz ICEBLUOLEMUGQI-UHFFFAOYSA-N 1 0 206.171 1.091 10 0 BDAERO C=Cc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000203779840 346650131 /nfs/dbraw/zinc/65/01/31/346650131.db2.gz SVNGNYQEBCYIBV-UHFFFAOYSA-N 1 0 217.316 1.664 10 0 BDAERO CCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000601207923 346674213 /nfs/dbraw/zinc/67/42/13/346674213.db2.gz TVTOXIZZBHPYMK-NEPJUHHUSA-N 1 0 239.363 1.665 10 0 BDAERO Nc1ccc(OCC[NH+]2CCCC2)cc1F ZINC000168864098 346746887 /nfs/dbraw/zinc/74/68/87/346746887.db2.gz XDIAISPQRGLXQW-UHFFFAOYSA-N 1 0 224.279 1.883 10 0 BDAERO Cn1cnc2c1C1(CC(C)(C)C1)[NH2+]CC2 ZINC000725242593 537986633 /nfs/dbraw/zinc/98/66/33/537986633.db2.gz JOYRCYRRWVBANZ-UHFFFAOYSA-N 1 0 205.305 1.581 10 0 BDAERO c1csc(C[NH2+][C@@H]2CCc3nccn3C2)n1 ZINC000309624196 347123309 /nfs/dbraw/zinc/12/33/09/347123309.db2.gz PURYPGOSKPJCDL-SECBINFHSA-N 1 0 234.328 1.444 10 0 BDAERO Cc1cccc(O[C@H]2CC[NH2+]C[C@@H]2O)c1C ZINC000039416761 179175562 /nfs/dbraw/zinc/17/55/62/179175562.db2.gz ZHFIAFNZGWCLHU-AAEUAGOBSA-N 1 0 221.300 1.405 10 0 in-man BDAERO C[C@@H]1C[NH2+]C[C@@](F)(c2ccns2)C1 ZINC000401756293 362771908 /nfs/dbraw/zinc/77/19/08/362771908.db2.gz RKGLEYKJYZBZEC-IONNQARKSA-N 1 0 200.282 1.937 10 0 BDAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000252217391 133649198 /nfs/dbraw/zinc/64/91/98/133649198.db2.gz ZNMKPUGLOXGPJA-WRWGMCAJSA-N 1 0 224.348 1.618 10 0 BDAERO COc1cccc([C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000039343496 347190037 /nfs/dbraw/zinc/19/00/37/347190037.db2.gz UAQYYXHREPSVMZ-AWEZNQCLSA-N 1 0 233.311 1.608 10 0 BDAERO Cc1ccc([C@H](C(CO)CO)[NH+](C)C)cc1 ZINC000039215585 347186002 /nfs/dbraw/zinc/18/60/02/347186002.db2.gz OUDWUAOQGYWXOH-CYBMUJFWSA-N 1 0 223.316 1.199 10 0 BDAERO CCO[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000149471465 347236307 /nfs/dbraw/zinc/23/63/07/347236307.db2.gz YIWVMHCEGJARCH-STQMWFEESA-N 1 0 220.316 1.235 10 0 BDAERO CC[NH2+][C@H](C)[C@]1(O)CCCS[C@H]1C ZINC000250290069 362798436 /nfs/dbraw/zinc/79/84/36/362798436.db2.gz MXGFXJSAJSRVMA-KXUCPTDWSA-N 1 0 203.351 1.631 10 0 BDAERO Cl/C=C/CN1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000299894758 347247385 /nfs/dbraw/zinc/24/73/85/347247385.db2.gz ZXEOCLQAVIMOLO-QWZJGYIASA-N 1 0 200.713 1.423 10 0 BDAERO O=C1CCC2(CC1)[NH2+]CCc1ccoc12 ZINC000725242853 537988368 /nfs/dbraw/zinc/98/83/68/537988368.db2.gz ZZFVLAWMCHWMEB-UHFFFAOYSA-N 1 0 205.257 1.764 10 0 BDAERO CN([C@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000250373630 362801789 /nfs/dbraw/zinc/80/17/89/362801789.db2.gz HYAQEMZWGSOUSM-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H]1O)[C@@H]1CCSC1 ZINC000250393082 362802438 /nfs/dbraw/zinc/80/24/38/362802438.db2.gz LDADNQFNSYXPII-HBNTYKKESA-N 1 0 215.362 1.585 10 0 BDAERO c1cc2c(o1)CC[NH2+][C@@]21C[C@H]2COC[C@@H]21 ZINC000725242875 537988598 /nfs/dbraw/zinc/98/85/98/537988598.db2.gz NDQKJXXAAUYQJV-PEXQALLHSA-N 1 0 205.257 1.287 10 0 BDAERO CN1CCC[C@@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000250626534 362813450 /nfs/dbraw/zinc/81/34/50/362813450.db2.gz QFSYORYIVHJZSG-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO Cc1cccc2c1nc1n(c2=O)CCC[C@@H]1[NH3+] ZINC000072266470 179207947 /nfs/dbraw/zinc/20/79/47/179207947.db2.gz QNGLPPUCAYQVDV-JTQLQIEISA-N 1 0 229.283 1.499 10 0 BDAERO CO[C@@H]([C@H](C)[NH2+]CC(C)(C)O)C1CC1 ZINC000388240845 347258898 /nfs/dbraw/zinc/25/88/98/347258898.db2.gz QRBZLSGVYFVLNP-WPRPVWTQSA-N 1 0 201.310 1.160 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N2CCC(O)CC2)c1 ZINC000020178962 179198589 /nfs/dbraw/zinc/19/85/89/179198589.db2.gz PAIPBWRQUPSHDR-AWEZNQCLSA-N 1 0 234.343 1.452 10 0 BDAERO Cc1cccc([C@H]([NH3+])CS(C)(=O)=O)c1C ZINC000053330328 179201042 /nfs/dbraw/zinc/20/10/42/179201042.db2.gz XEFORQRDWBPWJW-LLVKDONJSA-N 1 0 227.329 1.348 10 0 BDAERO CO[C@@H]([C@H](C)[NH2+]Cc1cnn(C)c1C)C1CC1 ZINC000388269326 347280333 /nfs/dbraw/zinc/28/03/33/347280333.db2.gz FBSZMLJSSNIZRW-ZANVPECISA-N 1 0 237.347 1.632 10 0 BDAERO C[C@]1(C(=O)NCCC2CC2)CCCC[NH2+]1 ZINC000159582516 136731036 /nfs/dbraw/zinc/73/10/36/136731036.db2.gz WXZHYAISJHHVPU-GFCCVEGCSA-N 1 0 210.321 1.435 10 0 BDAERO CO[C@H]([C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000388322546 347318535 /nfs/dbraw/zinc/31/85/35/347318535.db2.gz XXYZGZNENQULBX-OJAKKHQRSA-N 1 0 227.348 1.693 10 0 BDAERO [NH3+][C@@H]1CCN(C[C@H]2CCCCS2)C1 ZINC000250893442 362825553 /nfs/dbraw/zinc/82/55/53/362825553.db2.gz XYXNCXROXRTUKF-NXEZZACHSA-N 1 0 200.351 1.305 10 0 BDAERO Cc1cccc2c1S(=O)(=O)[C@@H](C)[C@@H]2[NH3+] ZINC000043636703 179222602 /nfs/dbraw/zinc/22/26/02/179222602.db2.gz ARHCGLOEDBETPN-CBAPKCEASA-N 1 0 211.286 1.171 10 0 BDAERO Cc1cccc2c1C[C@@H](C1=[NH+]CCN1)O2 ZINC000027650275 179218711 /nfs/dbraw/zinc/21/87/11/179218711.db2.gz FYOYGWMLVZUIST-NSHDSACASA-N 1 0 202.257 1.300 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)Cc1ccco1 ZINC000193247123 347393099 /nfs/dbraw/zinc/39/30/99/347393099.db2.gz YDBCRLZISXNBCG-LBPRGKRZSA-N 1 0 241.331 1.889 10 0 BDAERO CC[C@@H](C[NH3+])[C@]1(O)C[C@@H](C)O[C@@H](C)C1 ZINC000251137461 362839682 /nfs/dbraw/zinc/83/96/82/362839682.db2.gz ZTCYIXSDMVIVKN-ZRUFSTJUSA-N 1 0 201.310 1.290 10 0 BDAERO CC[C@@H]1CCN(C(=O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000616568380 347447172 /nfs/dbraw/zinc/44/71/72/347447172.db2.gz BELXQOIASNONEZ-ZJUUUORDSA-N 1 0 212.337 1.618 10 0 BDAERO CSCc1nc2c(c(NN)n1)CCC2 ZINC000054497247 347492607 /nfs/dbraw/zinc/49/26/07/347492607.db2.gz RBCBZVKGLKOUQO-UHFFFAOYSA-N 1 0 210.306 1.114 10 0 BDAERO O=[S@](c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000216456554 347492674 /nfs/dbraw/zinc/49/26/74/347492674.db2.gz VEISMPMROMGSDK-CLAHSXSESA-N 1 0 229.732 1.810 10 0 BDAERO Cc1ccccc1C(=O)CN1CC[C@@H]([NH3+])C1 ZINC000050242636 179246151 /nfs/dbraw/zinc/24/61/51/179246151.db2.gz XONBUELOANFVAO-LLVKDONJSA-N 1 0 218.300 1.211 10 0 BDAERO CCC(=O)N[C@@H]1C[NH2+]CC[C@H]1CC(C)C ZINC000616568904 347473550 /nfs/dbraw/zinc/47/35/50/347473550.db2.gz DZJBCOQXONQGFA-WDEREUQCSA-N 1 0 212.337 1.537 10 0 BDAERO Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038048896 179250551 /nfs/dbraw/zinc/25/05/51/179250551.db2.gz MDELMYDAVJYMAO-QWHCGFSZSA-N 1 0 232.327 1.995 10 0 BDAERO Cc1ccccc1CC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038049394 179258342 /nfs/dbraw/zinc/25/83/42/179258342.db2.gz AFWXOUPAAMUUGW-UONOGXRCSA-N 1 0 246.354 1.924 10 0 BDAERO CC1=CC[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000390646350 259396482 /nfs/dbraw/zinc/39/64/82/259396482.db2.gz ODHWAXYCVIUZJS-SRVKXCTJSA-N 1 0 222.332 1.742 10 0 BDAERO CCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616569128 347575563 /nfs/dbraw/zinc/57/55/63/347575563.db2.gz GOKMGCQXOHNOKI-OLZOCXBDSA-N 1 0 232.327 1.658 10 0 BDAERO Cc1ccccc1CCC(=O)N[C@@H]1CCC[C@H]1[NH3+] ZINC000063172075 179262147 /nfs/dbraw/zinc/26/21/47/179262147.db2.gz NBSLAAQDCZCEKG-ZIAGYGMSSA-N 1 0 246.354 1.924 10 0 BDAERO CSCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462949 347599845 /nfs/dbraw/zinc/59/98/45/347599845.db2.gz ZIEBRQJTCBPLEA-SNVBAGLBSA-N 1 0 200.351 1.129 10 0 BDAERO Cc1ccccc1CN1C[C@H](C[NH3+])OC1=O ZINC000019668885 179276180 /nfs/dbraw/zinc/27/61/80/179276180.db2.gz IJVLPIRCOCPXFD-NSHDSACASA-N 1 0 220.272 1.275 10 0 BDAERO Cc1ccccc1N(C)C(=O)[C@@H](C)C[NH3+] ZINC000049987088 179293971 /nfs/dbraw/zinc/29/39/71/179293971.db2.gz CIIZFEOQXJLKKF-JTQLQIEISA-N 1 0 206.289 1.553 10 0 BDAERO CC[NH+](CC)[C@H](c1ccccc1)C(CO)CO ZINC000196151702 347810787 /nfs/dbraw/zinc/81/07/87/347810787.db2.gz FRPMWFDQHYLQPT-CQSZACIVSA-N 1 0 237.343 1.670 10 0 BDAERO Cc1ccccc1N(CCC[NH3+])CCC(N)=O ZINC000036925684 179295602 /nfs/dbraw/zinc/29/56/02/179295602.db2.gz ZFXSQCVRDJBSHR-UHFFFAOYSA-N 1 0 235.331 1.026 10 0 BDAERO Cc1ccccc1NC(=O)C1(C[NH3+])CC1 ZINC000082639581 179297258 /nfs/dbraw/zinc/29/72/58/179297258.db2.gz ZCDKSZICOPFSBU-UHFFFAOYSA-N 1 0 204.273 1.672 10 0 BDAERO CC[C@@H](O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000308565102 347871522 /nfs/dbraw/zinc/87/15/22/347871522.db2.gz YANVYMAERAPVFK-ZJUUUORDSA-N 1 0 203.326 1.144 10 0 BDAERO CC[C@H](O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000308565099 347871578 /nfs/dbraw/zinc/87/15/78/347871578.db2.gz YANVYMAERAPVFK-UWVGGRQHSA-N 1 0 203.326 1.144 10 0 BDAERO Cc1ccccc1OCC[C@H](C[NH3+])N(C)C ZINC000019663658 179311918 /nfs/dbraw/zinc/31/19/18/179311918.db2.gz LKRKPXJACSEERN-GFCCVEGCSA-N 1 0 222.332 1.653 10 0 BDAERO C[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000308607539 347909218 /nfs/dbraw/zinc/90/92/18/347909218.db2.gz OEVVYLXXAXGKDS-JGPRNRPPSA-N 1 0 224.348 1.489 10 0 BDAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(CCO)C1CC1 ZINC000043037120 179328005 /nfs/dbraw/zinc/32/80/05/179328005.db2.gz MFDFWDSDOIEKIJ-SWLSCSKDSA-N 1 0 248.370 1.840 10 0 BDAERO CCCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054289982 490122383 /nfs/dbraw/zinc/12/23/83/490122383.db2.gz GZBQKXWWLLPWOB-LLVKDONJSA-N 1 0 212.337 1.683 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC000050394292 179339031 /nfs/dbraw/zinc/33/90/31/179339031.db2.gz ASVNHFBYIRHZJN-WCQYABFASA-N 1 0 232.327 1.924 10 0 BDAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000070231091 349978063 /nfs/dbraw/zinc/97/80/63/349978063.db2.gz VVXLKNTZRLKJCL-NSHDSACASA-N 1 0 233.315 1.434 10 0 BDAERO Cc1ccccc1[C@@](C)([NH3+])c1cnn(C)c1 ZINC000043461962 179332911 /nfs/dbraw/zinc/33/29/11/179332911.db2.gz XREYHBLIICZMCP-ZDUSSCGKSA-N 1 0 215.300 1.951 10 0 BDAERO Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037166112 348024959 /nfs/dbraw/zinc/02/49/59/348024959.db2.gz QZBKSWJUKAHGNC-GHMZBOCLSA-N 1 0 224.304 1.685 10 0 BDAERO C=CC(=O)Nc1ccc(C)c(C[NH3+])c1C ZINC000616570750 348072668 /nfs/dbraw/zinc/07/26/68/348072668.db2.gz COOGHWVEMOBRFP-UHFFFAOYSA-N 1 0 204.273 1.887 10 0 BDAERO C/C=C/C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000616570338 348034392 /nfs/dbraw/zinc/03/43/92/348034392.db2.gz FSJLHSDPOYKFDO-ROLFPQFPSA-N 1 0 236.359 1.991 10 0 BDAERO Cc1ccccc1[C@H]([NH3+])CN1C(=O)CCC1=O ZINC000023071419 179343498 /nfs/dbraw/zinc/34/34/98/179343498.db2.gz QWCFCXQPTILFNJ-LLVKDONJSA-N 1 0 232.283 1.144 10 0 BDAERO Cc1ccccc1[C@H]([NH3+])CN1CCOC[C@@H]1C ZINC000035775515 179343921 /nfs/dbraw/zinc/34/39/21/179343921.db2.gz IZJXBXDLXBLZAY-GXTWGEPZSA-N 1 0 234.343 1.716 10 0 BDAERO [NH3+][C@@H]1CCCCC12CCN(C(=O)C1CC1)CC2 ZINC000616570920 348078717 /nfs/dbraw/zinc/07/87/17/348078717.db2.gz IBZZDLANIYFNML-GFCCVEGCSA-N 1 0 236.359 1.907 10 0 BDAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CC[C@H](O)C1 ZINC000061709866 179346648 /nfs/dbraw/zinc/34/66/48/179346648.db2.gz WTGNBOWSBSAQSB-DYEKYZERSA-N 1 0 234.343 1.450 10 0 BDAERO Cc1c2ccc(F)cc2nc(N)c1C[NH3+] ZINC000725244801 537997382 /nfs/dbraw/zinc/99/73/82/537997382.db2.gz XTIWFQVAOCXGPA-UHFFFAOYSA-N 1 0 205.236 1.723 10 0 BDAERO Cc1ccccc1[S@@](=O)[C@H]1CC[NH2+]C1 ZINC000083296183 179352383 /nfs/dbraw/zinc/35/23/83/179352383.db2.gz FXHIYZWOGFEOBJ-IINYFYTJSA-N 1 0 209.314 1.465 10 0 BDAERO Cc1cccnc1C[N@H+](C)CC1CC(O)C1 ZINC000167073918 179370378 /nfs/dbraw/zinc/37/03/78/179370378.db2.gz KXXLFNIWBMTANJ-UHFFFAOYSA-N 1 0 220.316 1.593 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC1(CCO)CC1 ZINC000308791586 323178158 /nfs/dbraw/zinc/17/81/58/323178158.db2.gz IPCYPYLKGIQCLW-JTQLQIEISA-N 1 0 215.337 1.146 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000669381961 538000094 /nfs/dbraw/zinc/00/00/94/538000094.db2.gz BUOXTMPXVSOPNN-GMTAPVOTSA-N 1 0 227.352 1.267 10 0 BDAERO CC(C)c1nc([C@H]2CC[NH2+]C2)cc(=O)[nH]1 ZINC000669381970 538000438 /nfs/dbraw/zinc/00/04/38/538000438.db2.gz CBMDZQMAZQNSIN-QMMMGPOBSA-N 1 0 207.277 1.383 10 0 BDAERO CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)CC1 ZINC000669382338 538000572 /nfs/dbraw/zinc/00/05/72/538000572.db2.gz KACUCAUDVAZDKX-LBPRGKRZSA-N 1 0 224.348 1.635 10 0 BDAERO Cc1cccnc1[C@@H]([NH3+])Cc1cnn(C)c1 ZINC000050543230 179398387 /nfs/dbraw/zinc/39/83/87/179398387.db2.gz FPYYLVFAZHNVEU-NSHDSACASA-N 1 0 216.288 1.366 10 0 BDAERO CC[C@@H]1CCC[N@@H+]([C@H](C)C(N)=S)C1 ZINC000251575632 362887379 /nfs/dbraw/zinc/88/73/79/362887379.db2.gz CBPMCPKJXJHPKF-RKDXNWHRSA-N 1 0 200.351 1.783 10 0 BDAERO COC1CC[NH+]([C@@H]2CCCCC2=O)CC1 ZINC000037337293 348341328 /nfs/dbraw/zinc/34/13/28/348341328.db2.gz GQFPKZJXMVNWBU-LLVKDONJSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+][C@H](C)C[S@@](=O)[C@@H]2C1 ZINC000251749460 362904941 /nfs/dbraw/zinc/90/49/41/362904941.db2.gz JQPXDDOLTMOKNA-OAZVDXGHSA-N 1 0 201.335 1.284 10 0 BDAERO CC[C@@]1(C(=O)OC)O[C@@]1(C)CC[NH+](C)C ZINC000669382693 538004982 /nfs/dbraw/zinc/00/49/82/538004982.db2.gz JAZQCUHENSBYAJ-QWRGUYRKSA-N 1 0 215.293 1.049 10 0 BDAERO FC(F)CN1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051359610 348440209 /nfs/dbraw/zinc/44/02/09/348440209.db2.gz ZGCPHUIWUXIDNM-RKDXNWHRSA-N 1 0 204.264 1.468 10 0 BDAERO FC(F)CN1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051359608 348440238 /nfs/dbraw/zinc/44/02/38/348440238.db2.gz ZGCPHUIWUXIDNM-BDAKNGLRSA-N 1 0 204.264 1.468 10 0 BDAERO FC(F)CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359609 348440294 /nfs/dbraw/zinc/44/02/94/348440294.db2.gz ZGCPHUIWUXIDNM-IUCAKERBSA-N 1 0 204.264 1.468 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H]1C[NH3+] ZINC000725246078 538005517 /nfs/dbraw/zinc/00/55/17/538005517.db2.gz QXWJIAKUWZOJAK-BDAKNGLRSA-N 1 0 232.299 1.683 10 0 BDAERO CCN(Cc1ccccc1)C[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000227955480 348551991 /nfs/dbraw/zinc/55/19/91/348551991.db2.gz TUSRVVSXDGXONL-UONOGXRCSA-N 1 0 234.343 1.231 10 0 BDAERO [NH3+][C@H]1C[C@]12CNc1c2c(Cl)ccc1F ZINC000725246935 538008143 /nfs/dbraw/zinc/00/81/43/538008143.db2.gz BHDRKHKJCDAVLQ-XVKPBYJWSA-N 1 0 212.655 1.873 10 0 BDAERO COC(=O)C(C)(C)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000597039885 348648094 /nfs/dbraw/zinc/64/80/94/348648094.db2.gz ZKYZYNLRXNPYHD-MNOVXSKESA-N 1 0 241.331 1.343 10 0 BDAERO Cc1cnc(C)c(OC[C@H]2CC[NH2+]C2)n1 ZINC000051889277 179582261 /nfs/dbraw/zinc/58/22/61/179582261.db2.gz HMFNCJAXDIHXAO-JTQLQIEISA-N 1 0 207.277 1.082 10 0 BDAERO CSCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398857277 323193807 /nfs/dbraw/zinc/19/38/07/323193807.db2.gz OZYRXIKFPFGRIK-QJPTWQEYSA-N 1 0 229.389 1.832 10 0 BDAERO [NH3+][C@@H]1C[C@@]12CNc1cc3c(cc12)OCCCO3 ZINC000725246964 538009671 /nfs/dbraw/zinc/00/96/71/538009671.db2.gz BSGVDPATPLJDBH-OLZOCXBDSA-N 1 0 232.283 1.242 10 0 BDAERO N#Cc1cccc2c1OCC21CC[NH2+]CC1 ZINC000206867013 348701520 /nfs/dbraw/zinc/70/15/20/348701520.db2.gz SAQZZUXCAMJSBB-UHFFFAOYSA-N 1 0 214.268 1.572 10 0 BDAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CO)CCO1 ZINC000308821021 348711155 /nfs/dbraw/zinc/71/11/55/348711155.db2.gz CAHGGTJIGZVNSE-QCNOEVLYSA-N 1 0 213.321 1.160 10 0 BDAERO C[C@@H]1CCC[N@@H+]1[C@@]1(CN)CCCSC1 ZINC000216491067 348782178 /nfs/dbraw/zinc/78/21/78/348782178.db2.gz JEUHZEMNUUGWGO-GHMZBOCLSA-N 1 0 214.378 1.695 10 0 BDAERO [NH3+][C@H]1C[C@@]12CNc1c2cc(Cl)cc1F ZINC000725247037 538011249 /nfs/dbraw/zinc/01/12/49/538011249.db2.gz FQBMBWFNRGVUKX-WPRPVWTQSA-N 1 0 212.655 1.873 10 0 BDAERO [NH3+][C@@H]1C[C@@]12CNc1cccc(Br)c12 ZINC000725247802 538013001 /nfs/dbraw/zinc/01/30/01/538013001.db2.gz YUOIWUKCMMIZIO-PSASIEDQSA-N 1 0 239.116 1.843 10 0 BDAERO CC(C)N1C[C@]2(C[C@H]2[NH3+])c2ccccc21 ZINC000725247765 538012795 /nfs/dbraw/zinc/01/27/95/538012795.db2.gz XNHUYAIGNDWBJC-CHWSQXEVSA-N 1 0 202.301 1.884 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(CCC(C)C)C1CC1 ZINC000054074999 348877109 /nfs/dbraw/zinc/87/71/09/348877109.db2.gz WIHBCEKZTOILIY-SNVBAGLBSA-N 1 0 212.337 1.631 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000054076768 348880358 /nfs/dbraw/zinc/88/03/58/348880358.db2.gz NQANLEYRZJBWMK-YUSALJHKSA-N 1 0 218.300 1.267 10 0 BDAERO Cc1cccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000399240455 323201326 /nfs/dbraw/zinc/20/13/26/323201326.db2.gz ILQCZZVDYSJZBB-AAEUAGOBSA-N 1 0 220.316 1.735 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NC(C1CC1)C1CC1 ZINC000054308678 348974576 /nfs/dbraw/zinc/97/45/76/348974576.db2.gz IGIMALGVUMPKDA-SNVBAGLBSA-N 1 0 236.359 1.681 10 0 BDAERO CC(=O)C[C@@H](C)[N@@H+]1CCSC[C@H]1C ZINC000251845163 362935293 /nfs/dbraw/zinc/93/52/93/362935293.db2.gz QWJRWHAPSMOZAG-RKDXNWHRSA-N 1 0 201.335 1.791 10 0 BDAERO CN(Cc1ccco1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306062 348979068 /nfs/dbraw/zinc/97/90/68/348979068.db2.gz LDVOHIXASPUHES-NSHDSACASA-N 1 0 236.315 1.628 10 0 BDAERO C=CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251842080 362935351 /nfs/dbraw/zinc/93/53/51/362935351.db2.gz QOJVNBHQXKPNHP-MNOVXSKESA-N 1 0 208.305 1.258 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000054290836 348962941 /nfs/dbraw/zinc/96/29/41/348962941.db2.gz INAFGPHPKWFWRM-UTUOFQBUSA-N 1 0 240.347 1.012 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)N1Cc2ccccc2C1 ZINC000054292778 348964594 /nfs/dbraw/zinc/96/45/94/348964594.db2.gz QUVRNYGFASKXCM-GFCCVEGCSA-N 1 0 244.338 1.919 10 0 BDAERO CC(C)(C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000616573492 349071522 /nfs/dbraw/zinc/07/15/22/349071522.db2.gz YUKUVEMYCLSXBB-ZJUUUORDSA-N 1 0 210.321 1.385 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000055421662 349093905 /nfs/dbraw/zinc/09/39/05/349093905.db2.gz XSFZTTRYGXOPJU-MFKMUULPSA-N 1 0 232.327 1.788 10 0 BDAERO Fc1ccnc(Nc2nccc(C3C[NH2+]C3)n2)c1 ZINC000616576630 349102855 /nfs/dbraw/zinc/10/28/55/349102855.db2.gz WZWONDWDYAFJRY-UHFFFAOYSA-N 1 0 245.261 1.441 10 0 BDAERO Cc1ncc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)o1 ZINC000397909813 362938079 /nfs/dbraw/zinc/93/80/79/362938079.db2.gz CLOHVWGDCDAQKE-JQWIXIFHSA-N 1 0 235.331 1.652 10 0 BDAERO O=C(C1CCC1)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000616571915 349061949 /nfs/dbraw/zinc/06/19/49/349061949.db2.gz OMDQINGSPFOISI-GHMZBOCLSA-N 1 0 208.305 1.139 10 0 BDAERO CC[C@@H]1CCN(C(=O)[C@@H](C)C(C)C)C[C@@H]1[NH3+] ZINC000616573044 349064635 /nfs/dbraw/zinc/06/46/35/349064635.db2.gz YQHKAQCWARKAPH-TUAOUCFPSA-N 1 0 226.364 1.864 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1nc(C(F)F)n[nH]1 ZINC000616572132 349065244 /nfs/dbraw/zinc/06/52/44/349065244.db2.gz VIKGZPQYZZFVSZ-WHFBIAKZSA-N 1 0 204.224 1.788 10 0 BDAERO [NH3+][C@H]1CN(C(=O)C2CC2)CC[C@H]1c1ccccc1 ZINC000616573197 349067875 /nfs/dbraw/zinc/06/78/75/349067875.db2.gz YYCVEJBJMOJUHI-KBPBESRZSA-N 1 0 244.338 1.740 10 0 BDAERO CCOC(=O)[C@@H]1CCC[N@@H+]1[Si](C)(C)C ZINC000248318006 349123548 /nfs/dbraw/zinc/12/35/48/349123548.db2.gz NUONDBVNAWMLQG-VIFPVBQESA-N 1 0 215.369 1.849 10 0 BDAERO CO[C@]1(COc2ccc(F)cc2)CCC[NH2+]C1 ZINC000616579015 349127791 /nfs/dbraw/zinc/12/77/91/349127791.db2.gz OGLVGGQMAZYJSF-CYBMUJFWSA-N 1 0 239.290 1.973 10 0 BDAERO COc1ccc([C@]2(O)CCC[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC000616579491 349163856 /nfs/dbraw/zinc/16/38/56/349163856.db2.gz REKLTKSSIUJAQZ-KCPJHIHWSA-N 1 0 247.338 1.902 10 0 BDAERO COC(=O)CCCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000599434488 349174437 /nfs/dbraw/zinc/17/44/37/349174437.db2.gz BKRYRZUJIZMDHS-GHMZBOCLSA-N 1 0 229.320 1.032 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccnn1C1CCCC1 ZINC000725253532 538037438 /nfs/dbraw/zinc/03/74/38/538037438.db2.gz QOVNLVCINYPDAT-LLVKDONJSA-N 1 0 209.293 1.251 10 0 BDAERO CC(C)(CNC(=O)C1C[NH2+]C1)Cc1ccccc1 ZINC000263336997 535096117 /nfs/dbraw/zinc/09/61/17/535096117.db2.gz WMBYCACTNSYSPX-UHFFFAOYSA-N 1 0 246.354 1.591 10 0 BDAERO CC(C)N1c2ccccc2NC[C@H]1C[NH3+] ZINC000616585486 349366727 /nfs/dbraw/zinc/36/67/27/349366727.db2.gz QOCPSMRTYOCTRR-SNVBAGLBSA-N 1 0 205.305 1.654 10 0 BDAERO Cc1nc(C)n([C@H](C)C[NH2+]C2CCCC2)n1 ZINC000053541786 179924797 /nfs/dbraw/zinc/92/47/97/179924797.db2.gz QVWONFTXCAEOGJ-SECBINFHSA-N 1 0 222.336 1.988 10 0 BDAERO C[NH2+][C@H](CO)c1sccc1Br ZINC000228015869 350011460 /nfs/dbraw/zinc/01/14/60/350011460.db2.gz USXIEEVSAJTXSP-ZCFIWIBFSA-N 1 0 236.134 1.763 10 0 BDAERO C[C@H]1CCCCCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619485 350030146 /nfs/dbraw/zinc/03/01/46/350030146.db2.gz AOTKRHHUEHPPOD-AAEUAGOBSA-N 1 0 224.348 1.920 10 0 BDAERO CN(C)c1c2ccccc2nnc1C[NH3+] ZINC000068577557 191002415 /nfs/dbraw/zinc/00/24/15/191002415.db2.gz ZTQDLCRXRJCONK-UHFFFAOYSA-N 1 0 202.261 1.155 10 0 BDAERO Cc1nc(C[C@@H]2CSC[C@@H]2[NH3+])cs1 ZINC000076644738 179984452 /nfs/dbraw/zinc/98/44/52/179984452.db2.gz GOIZOOZAVXJQRM-APPZFPTMSA-N 1 0 214.359 1.684 10 0 BDAERO Cc1nc(N)sc1SC[C@@H]1CC[NH2+]C1 ZINC000051891099 180001259 /nfs/dbraw/zinc/00/12/59/180001259.db2.gz HZLSKTFHGFFDGA-SSDOTTSWSA-N 1 0 229.374 1.735 10 0 BDAERO Cc1nc(N2CCOC[C@@H]2C)sc1[C@@H](C)[NH3+] ZINC000054895581 180002210 /nfs/dbraw/zinc/00/22/10/180002210.db2.gz VBEXBIYDRJRMPP-JGVFFNPUSA-N 1 0 241.360 1.696 10 0 BDAERO Cc1nc(NC(=O)[C@@H](C)C2C[NH2+]C2)sc1C ZINC000129185418 180009927 /nfs/dbraw/zinc/00/99/27/180009927.db2.gz DLHAPCSTVBEJMV-LURJTMIESA-N 1 0 239.344 1.554 10 0 BDAERO CC(C)Oc1cncc(NC[C@H]([NH3+])C(C)C)n1 ZINC000071176399 350090433 /nfs/dbraw/zinc/09/04/33/350090433.db2.gz XAFGRWOARQOJJH-JTQLQIEISA-N 1 0 238.335 1.659 10 0 BDAERO Cc1nc([C@@H]([NH3+])[C@@H]2CCOC2)sc1C ZINC000041059994 180039245 /nfs/dbraw/zinc/03/92/45/180039245.db2.gz PLGKTKDZZUXBOJ-BDAKNGLRSA-N 1 0 212.318 1.796 10 0 BDAERO CO[C@H](C[C@@H]([NH3+])c1ncccn1)C1CC1 ZINC000725255362 538051651 /nfs/dbraw/zinc/05/16/51/538051651.db2.gz ZYNONWJJPRZQCA-NXEZZACHSA-N 1 0 207.277 1.292 10 0 BDAERO Cc1nc2c(s1)CN(CCC[NH3+])CC2 ZINC000041583275 180075081 /nfs/dbraw/zinc/07/50/81/180075081.db2.gz URAAYDZEPMTWGF-UHFFFAOYSA-N 1 0 211.334 1.158 10 0 BDAERO O=C1Nc2c(F)cccc2C2(C[NH2+]C2)O1 ZINC000725255626 538053768 /nfs/dbraw/zinc/05/37/68/538053768.db2.gz GISCVBDHNZSCLN-UHFFFAOYSA-N 1 0 208.192 1.186 10 0 BDAERO CCN(CC)C[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000304261243 350152283 /nfs/dbraw/zinc/15/22/83/350152283.db2.gz TWTHQOMQLSXFLP-RYUDHWBXSA-N 1 0 230.396 1.713 10 0 BDAERO OCCC1(C[NH2+]CC2CCOCC2)CC1 ZINC000133072007 191036245 /nfs/dbraw/zinc/03/62/45/191036245.db2.gz BZMVSVCDPXROSA-UHFFFAOYSA-N 1 0 213.321 1.165 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCc1cncn1C ZINC000313846421 350166076 /nfs/dbraw/zinc/16/60/76/350166076.db2.gz BNQIPRPPHAYROL-YPMHNXCESA-N 1 0 237.347 1.198 10 0 BDAERO C[C@@H]1CN(c2cccc3c2OCCO3)C[C@H](C)[NH2+]1 ZINC000034458700 350171199 /nfs/dbraw/zinc/17/11/99/350171199.db2.gz SWDHAFVKSKKELV-PHIMTYICSA-N 1 0 248.326 1.644 10 0 BDAERO CSc1nccc(NC[C@H]2CC[NH2+]C2)n1 ZINC000095071864 191054067 /nfs/dbraw/zinc/05/40/67/191054067.db2.gz SWVANJCEJUADGX-QMMMGPOBSA-N 1 0 224.333 1.220 10 0 BDAERO CCc1cc(CC)nc(N(C)CCC[NH3+])n1 ZINC000309210586 350192325 /nfs/dbraw/zinc/19/23/25/350192325.db2.gz NSRHTGOQCMBVEU-UHFFFAOYSA-N 1 0 222.336 1.386 10 0 BDAERO Cc1ncc(C[NH2+]CC(=O)N2CCCC2)s1 ZINC000040437532 180149907 /nfs/dbraw/zinc/14/99/07/180149907.db2.gz OGDRPCKAZNBMEA-UHFFFAOYSA-N 1 0 239.344 1.164 10 0 BDAERO Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2O)cn1 ZINC000309731042 180151775 /nfs/dbraw/zinc/15/17/75/180151775.db2.gz ZZLLQZZGKPAGPL-NEPJUHHUSA-N 1 0 221.304 1.036 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H](O)C1CCC1 ZINC000316676925 350222530 /nfs/dbraw/zinc/22/25/30/350222530.db2.gz YPQMTWAXZOEYIM-MNOVXSKESA-N 1 0 215.337 1.144 10 0 BDAERO Cc1nccc(N[C@H](C)CCCC[NH3+])n1 ZINC000308877926 180205508 /nfs/dbraw/zinc/20/55/08/180205508.db2.gz DJIXCSVAFZUHNZ-SECBINFHSA-N 1 0 208.309 1.714 10 0 BDAERO Cc1nccc(CN2CC[C@@H](C[NH2+]C(C)C)C2)n1 ZINC000053034046 180186216 /nfs/dbraw/zinc/18/62/16/180186216.db2.gz GLXXGFKGUWFQEU-ZDUSSCGKSA-N 1 0 248.374 1.605 10 0 BDAERO Cc1nccc(C[NH2+]C(C)(C)[C@H](C)O)n1 ZINC000128155853 180187260 /nfs/dbraw/zinc/18/72/60/180187260.db2.gz XEIIKEMEWNARQA-QMMMGPOBSA-N 1 0 209.293 1.034 10 0 BDAERO Cc1nccn1[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043341295 180271772 /nfs/dbraw/zinc/27/17/72/180271772.db2.gz ZSUKPMAXDXATKC-JOYOIKCWSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1ncn(CC[NH2+]C2CCOCC2)c1C ZINC000062767970 180287660 /nfs/dbraw/zinc/28/76/60/180287660.db2.gz KREZWLXPKRTKHX-UHFFFAOYSA-N 1 0 223.320 1.269 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324624424 350308408 /nfs/dbraw/zinc/30/84/08/350308408.db2.gz QPCPTKCTTZFZPE-GHMZBOCLSA-N 1 0 214.353 1.077 10 0 BDAERO C[C@@H]1Cc2nc[nH]c2[C@@](C)(c2ccccc2O)[NH2+]1 ZINC000038675854 350320143 /nfs/dbraw/zinc/32/01/43/350320143.db2.gz ZCXRZENIQDABSJ-YMTOWFKASA-N 1 0 243.310 1.913 10 0 BDAERO Cc1ncn(-c2nc3ccccn3c2C[NH3+])c1C ZINC000051927452 180286373 /nfs/dbraw/zinc/28/63/73/180286373.db2.gz HFIRVUGUJSXBSH-UHFFFAOYSA-N 1 0 241.298 1.596 10 0 BDAERO Cc1c(C[NH2+][C@H](C)CO)ccc2c1OCCO2 ZINC000725264320 538090470 /nfs/dbraw/zinc/09/04/70/538090470.db2.gz ZSLJRYCGFLDYAQ-SECBINFHSA-N 1 0 237.299 1.237 10 0 BDAERO Cc1ncsc1CN(C)c1ncccc1C[NH3+] ZINC000104433112 180315778 /nfs/dbraw/zinc/31/57/78/180315778.db2.gz OPUAJCIHWRIYQO-UHFFFAOYSA-N 1 0 248.355 1.942 10 0 BDAERO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038049434 180304963 /nfs/dbraw/zinc/30/49/63/180304963.db2.gz VTWKZLBWSYMOKE-DTWKUNHWSA-N 1 0 239.344 1.451 10 0 BDAERO Cc1nn(-c2ccnc(C[NH3+])c2)c(C)c1C ZINC000051493389 180330249 /nfs/dbraw/zinc/33/02/49/180330249.db2.gz KQBUVGDPNMKRSP-UHFFFAOYSA-N 1 0 216.288 1.651 10 0 BDAERO Cc1nn(-c2cc[nH+]cc2)c(N)c1Cl ZINC000043665050 180330721 /nfs/dbraw/zinc/33/07/21/180330721.db2.gz OWHVAXXRHOEOMN-UHFFFAOYSA-N 1 0 208.652 1.811 10 0 BDAERO COCCC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725264045 538090985 /nfs/dbraw/zinc/09/09/85/538090985.db2.gz HYOXUYKJNMEGJX-NSHDSACASA-N 1 0 240.347 1.061 10 0 BDAERO Cc1csc(NC[C@H]2CCC[N@H+]2C)n1 ZINC000226103571 350400003 /nfs/dbraw/zinc/40/00/03/350400003.db2.gz SYTWMHMYBBVFFO-SECBINFHSA-N 1 0 211.334 1.958 10 0 BDAERO Cc1ncsc1C[NH2+][C@H]1CC[C@@H](O)C1 ZINC000307557801 180323332 /nfs/dbraw/zinc/32/33/32/180323332.db2.gz CDMVFWXESIAOPG-DTWKUNHWSA-N 1 0 212.318 1.455 10 0 BDAERO CC(C)CNC(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000725264472 538091333 /nfs/dbraw/zinc/09/13/33/538091333.db2.gz PNVYXKISNKNRIO-WCQYABFASA-N 1 0 239.363 1.698 10 0 BDAERO CN(c1nccs1)[C@@H]1CCC[NH2+]CC1 ZINC000226481392 350434986 /nfs/dbraw/zinc/43/49/86/350434986.db2.gz QCCHABVSMBMTLZ-SECBINFHSA-N 1 0 211.334 1.721 10 0 BDAERO Cc1nn(C)c(N[C@H](C[NH+](C)C)C(C)C)c1N ZINC000049194833 180360311 /nfs/dbraw/zinc/36/03/11/180360311.db2.gz IQUQPHVCVHYTKC-SNVBAGLBSA-N 1 0 239.367 1.309 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@H]1C ZINC000105437607 180351542 /nfs/dbraw/zinc/35/15/42/180351542.db2.gz MRNTUYMTCNZIDZ-MUWHJKNJSA-N 1 0 213.712 1.880 10 0 BDAERO Cc1nn(C)c(N(C)C)c1C[NH2+]C(C)(C)C ZINC000060394378 180352076 /nfs/dbraw/zinc/35/20/76/180352076.db2.gz QCLGVEWHIZYJMM-UHFFFAOYSA-N 1 0 224.352 1.683 10 0 BDAERO Cc1nn(C)c(Oc2ccccc2)c1C[NH3+] ZINC000020470278 180361696 /nfs/dbraw/zinc/36/16/96/180361696.db2.gz GZUNWNVJTPBMOQ-UHFFFAOYSA-N 1 0 217.272 1.980 10 0 BDAERO [NH3+][C@H]1CC=C(C(=O)c2ccccc2F)C1 ZINC000226562708 350439949 /nfs/dbraw/zinc/43/99/49/350439949.db2.gz DPSDELVPBGMLCR-BDAKNGLRSA-N 1 0 205.232 1.912 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226565272 350440714 /nfs/dbraw/zinc/44/07/14/350440714.db2.gz YNANNOWPRPARKX-GUBZILKMSA-N 1 0 212.362 1.926 10 0 BDAERO Fc1ccc(-c2cnnn2[C@@H]2CCC[NH2+]C2)cn1 ZINC000725266096 538093839 /nfs/dbraw/zinc/09/38/39/538093839.db2.gz LUZNNNDIQBCJBK-SNVBAGLBSA-N 1 0 247.277 1.404 10 0 BDAERO [NH3+]C[C@@H]1CCCCCN1C(=O)C1CCC1 ZINC000125036518 538093884 /nfs/dbraw/zinc/09/38/84/538093884.db2.gz VAOQXHFITGPWFL-NSHDSACASA-N 1 0 210.321 1.516 10 0 BDAERO NC(=[NH2+])Cc1c[nH]nc1-c1cccs1 ZINC000409441445 350482102 /nfs/dbraw/zinc/48/21/02/350482102.db2.gz XWZYVFDIJUAICX-UHFFFAOYSA-N 1 0 206.274 1.617 10 0 BDAERO Cc1[nH]nc(CC(C)C)c1CCC(N)=[NH2+] ZINC000409439904 350482340 /nfs/dbraw/zinc/48/23/40/350482340.db2.gz KPNFKMVHCBJJIS-UHFFFAOYSA-N 1 0 208.309 1.785 10 0 BDAERO Cc1nn(C)cc1[C@H](O)[C@@H]([NH3+])CC(C)C ZINC000082373219 180383592 /nfs/dbraw/zinc/38/35/92/180383592.db2.gz NKRKBLMQAFCGBU-QWRGUYRKSA-N 1 0 211.309 1.135 10 0 BDAERO [NH3+]C[C@H]1CCCCCN1C(=O)C1CCC1 ZINC000125036345 538093960 /nfs/dbraw/zinc/09/39/60/538093960.db2.gz VAOQXHFITGPWFL-LLVKDONJSA-N 1 0 210.321 1.516 10 0 BDAERO c1nnn([C@H]2CCC[NH2+]CC2)c1-c1ccncc1 ZINC000725266110 538094239 /nfs/dbraw/zinc/09/42/39/538094239.db2.gz NNKZVCNNZRSVED-LBPRGKRZSA-N 1 0 243.314 1.655 10 0 BDAERO Cc1nn(C[C@@H](C)[NH3+])c2cc(O)ccc12 ZINC000000009098 180390937 /nfs/dbraw/zinc/39/09/37/180390937.db2.gz OWSQIPLPGUOLGH-SSDOTTSWSA-N 1 0 205.261 1.398 10 0 BDAERO c1nnn([C@H]2CCC[NH2+]CC2)c1-c1cccnc1 ZINC000725266186 538095432 /nfs/dbraw/zinc/09/54/32/538095432.db2.gz UXLVMQZHLLZCAK-LBPRGKRZSA-N 1 0 243.314 1.655 10 0 BDAERO Cc1nnc(N(C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000125763517 180420735 /nfs/dbraw/zinc/42/07/35/180420735.db2.gz FEJXFYVYLNLOKA-SECBINFHSA-N 1 0 228.365 1.656 10 0 BDAERO C/C(=C/c1c(Br)c(C)nn1C)C[NH3+] ZINC000308139771 350579067 /nfs/dbraw/zinc/57/90/67/350579067.db2.gz RNEIQNKVJBTEOO-XQRVVYSFSA-N 1 0 244.136 1.853 10 0 BDAERO Cc1nnc(S[C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000051038335 180440391 /nfs/dbraw/zinc/44/03/91/180440391.db2.gz YXVVRAFVTYDVBJ-SFYZADRCSA-N 1 0 213.306 1.598 10 0 BDAERO C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000309490315 350582672 /nfs/dbraw/zinc/58/26/72/350582672.db2.gz ZODHFOTUJZNWBN-VWYCJHECSA-N 1 0 228.336 1.188 10 0 BDAERO Cc1nnc(N2CCC[C@H](C)[C@H]2C[NH3+])s1 ZINC000228065547 180425001 /nfs/dbraw/zinc/42/50/01/180425001.db2.gz GDTJKNZIKMNWKY-IONNQARKSA-N 1 0 226.349 1.410 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1cc[nH]n1 ZINC000616594315 350593945 /nfs/dbraw/zinc/59/39/45/350593945.db2.gz PFSPIGNHOYMJBI-AWEZNQCLSA-N 1 0 242.326 1.862 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000226403099 535147886 /nfs/dbraw/zinc/14/78/86/535147886.db2.gz TWVBXLBZDWUEFW-YNEHKIRRSA-N 1 0 227.348 1.647 10 0 BDAERO CC[N@@H+]1CCOCC[C@@H]1c1ccccc1C(N)=O ZINC000616597620 350653581 /nfs/dbraw/zinc/65/35/81/350653581.db2.gz DWHCDILUOPLDDD-CYBMUJFWSA-N 1 0 248.326 1.569 10 0 BDAERO Cc1noc(C)c1COCC1CC[NH2+]CC1 ZINC000051814938 180475250 /nfs/dbraw/zinc/47/52/50/180475250.db2.gz WVQMCOGGOUXKRR-UHFFFAOYSA-N 1 0 224.304 1.808 10 0 BDAERO CC[N@@H+]1CCOCC[C@@H]1c1ccncc1 ZINC000616598375 350660394 /nfs/dbraw/zinc/66/03/94/350660394.db2.gz LHKPWVAQMXRSEB-GFCCVEGCSA-N 1 0 206.289 1.865 10 0 BDAERO c1cc2c(ccnc2NC2CC[NH2+]CC2)o1 ZINC000232569976 350660861 /nfs/dbraw/zinc/66/08/61/350660861.db2.gz GTQBMFQGEIWGLG-UHFFFAOYSA-N 1 0 217.272 1.992 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000226403210 535149448 /nfs/dbraw/zinc/14/94/48/535149448.db2.gz FMGAMQFWUVPFLK-MELADBBJSA-N 1 0 240.391 1.562 10 0 BDAERO c1ccc2nnc([C@H]3COCCC[NH2+]3)cc2c1 ZINC000616598511 350674904 /nfs/dbraw/zinc/67/49/04/350674904.db2.gz CSRDXHFDRBRXOZ-CYBMUJFWSA-N 1 0 229.283 1.681 10 0 BDAERO CC(C)C[NH2+]CC[C@H](CO)[C@@H]1COC(C)(C)O1 ZINC000725267803 538099085 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CC(C)N1CC[NH2+]C[C@@H]1c1cccc(N)n1 ZINC000616637519 351134231 /nfs/dbraw/zinc/13/42/31/351134231.db2.gz OLZRJCQEVNWGHH-LLVKDONJSA-N 1 0 220.320 1.019 10 0 BDAERO CNc1cccc([C@@H]2C[NH2+]CCN2C(C)=O)c1 ZINC000616638040 351135407 /nfs/dbraw/zinc/13/54/07/351135407.db2.gz CKSOJQOFUVFOTH-ZDUSSCGKSA-N 1 0 233.315 1.221 10 0 BDAERO CCOC(=O)c1ccccc1[C@H]1C[NH2+]CCN1C ZINC000616638352 351138834 /nfs/dbraw/zinc/13/88/34/351138834.db2.gz WXPJSBMAMVOIOL-CYBMUJFWSA-N 1 0 248.326 1.439 10 0 BDAERO CC(C)N1CC[NH2+]C[C@@H]1c1ccccc1CO ZINC000616638328 351138912 /nfs/dbraw/zinc/13/89/12/351138912.db2.gz VRDONFIQPNTFNM-CQSZACIVSA-N 1 0 234.343 1.534 10 0 BDAERO O=c1[nH]c(C[NH2+][C@H]2CCSC2)cs1 ZINC000231699307 351142145 /nfs/dbraw/zinc/14/21/45/351142145.db2.gz CGPDQAAQJMZECW-LURJTMIESA-N 1 0 216.331 1.032 10 0 BDAERO CCN1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000616671402 351231102 /nfs/dbraw/zinc/23/11/02/351231102.db2.gz CUGIKUVUDVPJTN-LBPRGKRZSA-N 1 0 204.317 1.999 10 0 BDAERO CNc1cccc([C@H]2CN(C)CCO2)c1 ZINC000616675399 351242848 /nfs/dbraw/zinc/24/28/48/351242848.db2.gz AYKRWAOZVFOVNJ-GFCCVEGCSA-N 1 0 206.289 1.731 10 0 BDAERO CC[N@@H+]1CCc2ccccc2[C@H]1CCO ZINC000616680439 351246677 /nfs/dbraw/zinc/24/66/77/351246677.db2.gz UNYWOBKIMWOWIR-CYBMUJFWSA-N 1 0 205.301 1.988 10 0 BDAERO OCCN1CCc2ccccc2[C@@H]1c1ncco1 ZINC000616679267 351250567 /nfs/dbraw/zinc/25/05/67/351250567.db2.gz SHFDEBGEUYZCIT-CYBMUJFWSA-N 1 0 244.294 1.614 10 0 BDAERO [NH3+]CCN1C[C@H](c2ncco2)Nc2ccccc21 ZINC000616684760 351255746 /nfs/dbraw/zinc/25/57/46/351255746.db2.gz NJQHUXWWLKEYQV-LLVKDONJSA-N 1 0 244.298 1.607 10 0 BDAERO COC(=O)N1C[C@@H](C[NH3+])Nc2ccccc21 ZINC000616686593 351257054 /nfs/dbraw/zinc/25/70/54/351257054.db2.gz QLGBBJGKYNHVIE-MRVPVSSYSA-N 1 0 221.260 1.012 10 0 BDAERO C[N@@H+]1CCO[C@H](c2cccc(N)n2)CC1 ZINC000616687441 351258260 /nfs/dbraw/zinc/25/82/60/351258260.db2.gz YTHOKWWSASFSRE-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO C[N@@H+]1CCO[C@H](c2cccc(N)c2)CC1 ZINC000616687003 351258497 /nfs/dbraw/zinc/25/84/97/351258497.db2.gz PNEPQLBBAKGYGK-LBPRGKRZSA-N 1 0 206.289 1.662 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ncccn2)C1 ZINC000616658008 351199939 /nfs/dbraw/zinc/19/99/39/351199939.db2.gz AJRKIHMGTBYKIW-LLVKDONJSA-N 1 0 235.331 1.691 10 0 BDAERO C[N@@H+]1CCOCC[C@@H]1c1ccccc1N ZINC000616655935 351201323 /nfs/dbraw/zinc/20/13/23/351201323.db2.gz NDGLOHTYCPTVET-GFCCVEGCSA-N 1 0 206.289 1.662 10 0 BDAERO C[N@@H+]1CCOCC[C@@H]1c1cccnc1N ZINC000616656366 351202504 /nfs/dbraw/zinc/20/25/04/351202504.db2.gz UAGILRDMCVCLTK-SNVBAGLBSA-N 1 0 207.277 1.057 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccno2)C1 ZINC000616659005 351205125 /nfs/dbraw/zinc/20/51/25/351205125.db2.gz BBCIJQJEZABLHB-JTQLQIEISA-N 1 0 210.277 1.499 10 0 BDAERO [NH3+]C[C@@H]1CCOCCN1Cc1ccccc1 ZINC000616659562 351206811 /nfs/dbraw/zinc/20/68/11/351206811.db2.gz PAIINOBFQWGEJS-ZDUSSCGKSA-N 1 0 220.316 1.236 10 0 BDAERO C[N@@H+]1CCOC[C@@H](c2cnnc3ccccc32)C1 ZINC000616659663 351208166 /nfs/dbraw/zinc/20/81/66/351208166.db2.gz CYROPFJVHFKPRN-NSHDSACASA-N 1 0 243.310 1.675 10 0 BDAERO CNc1cccc([C@H]2COCC[N@H+](C)C2)c1 ZINC000616660241 351209648 /nfs/dbraw/zinc/20/96/48/351209648.db2.gz UNUOIPPCQDSOMN-GFCCVEGCSA-N 1 0 220.316 1.774 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](c2cocn2)C1 ZINC000616661452 351209793 /nfs/dbraw/zinc/20/97/93/351209793.db2.gz SEGOLIAGQIFLNH-JTQLQIEISA-N 1 0 210.277 1.499 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](Nc2ccccn2)C1 ZINC000616660840 351213556 /nfs/dbraw/zinc/21/35/56/351213556.db2.gz PQGFWHOXHDHVGL-LBPRGKRZSA-N 1 0 235.331 1.603 10 0 BDAERO OCc1ccc([C@H]2CC[NH2+]CCO2)cc1 ZINC000616663785 351216538 /nfs/dbraw/zinc/21/65/38/351216538.db2.gz OCLIYXSNDKFKGW-GFCCVEGCSA-N 1 0 207.273 1.230 10 0 BDAERO c1cnc2cc([C@@H]3C[NH2+]CCOC3)ccc2c1 ZINC000616664129 351216741 /nfs/dbraw/zinc/21/67/41/351216741.db2.gz UYODFAIGOCPZNA-CYBMUJFWSA-N 1 0 228.295 1.938 10 0 BDAERO c1ccc2c(c1)nccc2[C@@H]1C[NH2+]CCOC1 ZINC000616662484 351218431 /nfs/dbraw/zinc/21/84/31/351218431.db2.gz IGDZLIVETUGNFU-LLVKDONJSA-N 1 0 228.295 1.938 10 0 BDAERO OCCc1ccc([C@H]2CC[NH2+]CCO2)cc1 ZINC000616662731 351219049 /nfs/dbraw/zinc/21/90/49/351219049.db2.gz DLFFOECKFSXYEA-CYBMUJFWSA-N 1 0 221.300 1.272 10 0 BDAERO CC(C)(C)[C@H]1CC[N@H+](CCO)CCO1 ZINC000616666537 351226609 /nfs/dbraw/zinc/22/66/09/351226609.db2.gz XNVVBRIOMAIBNA-SNVBAGLBSA-N 1 0 201.310 1.116 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1cnno1 ZINC000616668687 351228096 /nfs/dbraw/zinc/22/80/96/351228096.db2.gz CPNZVBUQDBKZKA-LBPRGKRZSA-N 1 0 244.298 1.522 10 0 BDAERO O=[S@]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000306891223 351304689 /nfs/dbraw/zinc/30/46/89/351304689.db2.gz FYICEMSBYGEVHV-MFKMUULPSA-N 1 0 201.335 1.430 10 0 BDAERO CO[C@@H]1CCC[C@@H]([C@@H]2C[NH2+]CCC2=O)C1 ZINC000168152728 351325248 /nfs/dbraw/zinc/32/52/48/351325248.db2.gz UQZDXBNYRDSJRA-MXWKQRLJSA-N 1 0 211.305 1.370 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCS[C@H](C)C1 ZINC000168028306 351265952 /nfs/dbraw/zinc/26/59/52/351265952.db2.gz YQCHQHPGYUZMIX-MNOVXSKESA-N 1 0 217.378 1.831 10 0 BDAERO Nc1c(Cl)cc(NC(=O)C[NH3+])cc1Cl ZINC000306874663 351268836 /nfs/dbraw/zinc/26/88/36/351268836.db2.gz GHSDHBUWWREUOZ-UHFFFAOYSA-N 1 0 234.086 1.473 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(F)(F)F ZINC000063192242 351274640 /nfs/dbraw/zinc/27/46/40/351274640.db2.gz BRIUCVLKHNPYMT-RQJHMYQMSA-N 1 0 224.226 1.277 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(F)(F)F ZINC000063192244 351274662 /nfs/dbraw/zinc/27/46/62/351274662.db2.gz BRIUCVLKHNPYMT-RNFRBKRXSA-N 1 0 224.226 1.277 10 0 BDAERO C[C@@H]1CCN(C2CSC2)[C@@H](C[NH3+])C1 ZINC000306971860 351394565 /nfs/dbraw/zinc/39/45/65/351394565.db2.gz SUTXYLLYAGZQDR-RKDXNWHRSA-N 1 0 200.351 1.161 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1CN=S(C)(C)=O ZINC000306975274 351396182 /nfs/dbraw/zinc/39/61/82/351396182.db2.gz NEODQOXPGUSNMK-BDAKNGLRSA-N 1 0 204.339 1.102 10 0 BDAERO C[NH2+][C@@H]1CCN([C@@H]2CSC2(C)C)C1 ZINC000306976834 351396434 /nfs/dbraw/zinc/39/64/34/351396434.db2.gz FZHSMWFIPPRKEC-RKDXNWHRSA-N 1 0 200.351 1.174 10 0 BDAERO O[C@@H](c1occc1Br)C1C[NH2+]C1 ZINC000306990447 351406591 /nfs/dbraw/zinc/40/65/91/351406591.db2.gz IWLFVUZVCVHVSA-SSDOTTSWSA-N 1 0 232.077 1.295 10 0 BDAERO CN(Cc1ccccc1)[C@@]1(C)CC[NH2+]C1 ZINC000306979380 351397503 /nfs/dbraw/zinc/39/75/03/351397503.db2.gz DRFLATJPMJDMNN-ZDUSSCGKSA-N 1 0 204.317 1.870 10 0 BDAERO CON(C)C(=O)C12CCC([NH3+])(CC1)CC2 ZINC000404298371 351341489 /nfs/dbraw/zinc/34/14/89/351341489.db2.gz MDXQGZMYUGATRP-UHFFFAOYSA-N 1 0 212.293 1.058 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1C[C@@H](C)CC1(C)C ZINC000306929177 351345993 /nfs/dbraw/zinc/34/59/93/351345993.db2.gz AXBMTRDPDUIUPM-JGVFFNPUSA-N 1 0 200.351 1.781 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000034936748 351349971 /nfs/dbraw/zinc/34/99/71/351349971.db2.gz VXGLTGKYJXPUQA-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO CC(C)C[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000034936806 351350480 /nfs/dbraw/zinc/35/04/80/351350480.db2.gz LSDWDYRVGVCWSM-SNVBAGLBSA-N 1 0 212.337 1.679 10 0 BDAERO [NH3+][C@@H](CNc1ccc(Cl)nn1)C1CC1 ZINC000168242574 351351031 /nfs/dbraw/zinc/35/10/31/351351031.db2.gz ATDTUXCENQPGAM-ZETCQYMHSA-N 1 0 212.684 1.279 10 0 BDAERO COC[C@H]([NH3+])CCCOCc1ccccc1 ZINC000306932808 351358888 /nfs/dbraw/zinc/35/88/88/351358888.db2.gz FHKQUFOZSJKXHW-CYBMUJFWSA-N 1 0 223.316 1.957 10 0 BDAERO C[C@H]1C[NH+]=C(S[C@H]2CCCOC2)N1 ZINC000307029564 351430863 /nfs/dbraw/zinc/43/08/63/351430863.db2.gz MJUPCYKZVANOOM-YUMQZZPRSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@@H]1CN(C(N)=[NH2+])CCN1Cc1ccccc1 ZINC000307058066 351455302 /nfs/dbraw/zinc/45/53/02/351455302.db2.gz FLNHDEUOGTUOOU-LLVKDONJSA-N 1 0 232.331 1.086 10 0 BDAERO C[C@@H]1C[C@@H](NC(=[NH2+])NCc2ccccc2)CCO1 ZINC000306994902 351409687 /nfs/dbraw/zinc/40/96/87/351409687.db2.gz OQNDXXPQRFJNMA-YPMHNXCESA-N 1 0 247.342 1.868 10 0 BDAERO CC(C)([NH3+])c1noc(CC(C)(F)F)n1 ZINC000307012491 351420060 /nfs/dbraw/zinc/42/00/60/351420060.db2.gz QBVWQGRXXLBIOK-UHFFFAOYSA-N 1 0 205.208 1.461 10 0 BDAERO Clc1ccnc(OC[C@@H]2CC[NH2+]C2)n1 ZINC000095070161 180596475 /nfs/dbraw/zinc/59/64/75/180596475.db2.gz BKAIKNOLTCZGJU-SSDOTTSWSA-N 1 0 213.668 1.118 10 0 BDAERO Cc1cnn(Cc2nc(C[NH3+])cs2)c1 ZINC000307141539 351500537 /nfs/dbraw/zinc/50/05/37/351500537.db2.gz BROFZVHCJITXNE-UHFFFAOYSA-N 1 0 208.290 1.155 10 0 BDAERO C[C@H]1CSCCN1CC1(C)C[NH2+]C1 ZINC000307088729 351472068 /nfs/dbraw/zinc/47/20/68/351472068.db2.gz NCWIAYWLWFHKBT-VIFPVBQESA-N 1 0 200.351 1.033 10 0 BDAERO C[C@H]1OCC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307109140 351480114 /nfs/dbraw/zinc/48/01/14/351480114.db2.gz KHCVOUUDMYKYCK-PWSUYJOCSA-N 1 0 233.315 1.478 10 0 BDAERO C/C(=C\Cl)CN1CCC[NH2+][C@H](C)C1 ZINC000232014344 351528303 /nfs/dbraw/zinc/52/83/03/351528303.db2.gz QYEZPTNIQOPFCZ-OLKPEBQYSA-N 1 0 202.729 1.813 10 0 BDAERO Cc1nsc(N[C@H]2CCC[NH2+]CC2)n1 ZINC000226470328 363066055 /nfs/dbraw/zinc/06/60/55/363066055.db2.gz KQYOGONKWKZBSR-QMMMGPOBSA-N 1 0 212.322 1.401 10 0 BDAERO C[C@@H]1CSC[C@H]1NC1=[NH+]CCCS1 ZINC000307189748 351589801 /nfs/dbraw/zinc/58/98/01/351589801.db2.gz YTIRDGCVQCHFOK-HTQZYQBOSA-N 1 0 216.375 1.820 10 0 BDAERO C[C@H]1CSC[C@@H]1NC1=[NH+]CCCS1 ZINC000307189751 351590054 /nfs/dbraw/zinc/59/00/54/351590054.db2.gz YTIRDGCVQCHFOK-YUMQZZPRSA-N 1 0 216.375 1.820 10 0 BDAERO [NH3+][C@H](CO)[C@H](O)C1CCCCCCC1 ZINC000300866126 363076201 /nfs/dbraw/zinc/07/62/01/363076201.db2.gz OVPLTBZOLZNCQP-GHMZBOCLSA-N 1 0 201.310 1.027 10 0 BDAERO CC[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000307224100 351657622 /nfs/dbraw/zinc/65/76/22/351657622.db2.gz SCWRDULWPSSGCL-RKDXNWHRSA-N 1 0 216.325 1.898 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000577739705 366047663 /nfs/dbraw/zinc/04/76/63/366047663.db2.gz BGRRBZZFCCZMSE-OLZOCXBDSA-N 1 0 236.363 1.169 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000577739704 366048046 /nfs/dbraw/zinc/04/80/46/366048046.db2.gz BGRRBZZFCCZMSE-CHWSQXEVSA-N 1 0 236.363 1.169 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000577739706 366048127 /nfs/dbraw/zinc/04/81/27/366048127.db2.gz BGRRBZZFCCZMSE-QWHCGFSZSA-N 1 0 236.363 1.169 10 0 BDAERO C[C@@H](Nc1ccncc1Br)[C@H](C)[NH3+] ZINC000307231414 351686697 /nfs/dbraw/zinc/68/66/97/351686697.db2.gz BKDWMZUYOMAIPZ-NKWVEPMBSA-N 1 0 244.136 1.992 10 0 BDAERO CC[C@@H]1CS[C@]2(C[C@H](C)O[C@H]2C)[NH2+]1 ZINC000307225945 351663773 /nfs/dbraw/zinc/66/37/73/351663773.db2.gz VDFIOOQNFQTAKW-QEYWKRMJSA-N 1 0 201.335 1.995 10 0 BDAERO Cn1c2ccc(F)cc2nc1[C@H]([NH3+])CCO ZINC000040710284 180625395 /nfs/dbraw/zinc/62/53/95/180625395.db2.gz BOLTYACXMDPSQC-MRVPVSSYSA-N 1 0 223.251 1.095 10 0 BDAERO [NH3+][C@@H](c1ccns1)[C@H]1CCSC1 ZINC000307236515 351725118 /nfs/dbraw/zinc/72/51/18/351725118.db2.gz DWFSCWSKWWTQCI-POYBYMJQSA-N 1 0 200.332 1.896 10 0 BDAERO CCCCCC[C@H](C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037041909 358466824 /nfs/dbraw/zinc/46/68/24/358466824.db2.gz IKTFINDHHPKAFH-SDDRHHMPSA-N 1 0 242.363 1.184 10 0 BDAERO [NH3+]C[C@@H](O)CNc1ncc(Cl)cc1Cl ZINC000307253630 351781118 /nfs/dbraw/zinc/78/11/18/351781118.db2.gz VSNSARKAJVBUQQ-ZCFIWIBFSA-N 1 0 236.102 1.120 10 0 BDAERO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000637884902 351753986 /nfs/dbraw/zinc/75/39/86/351753986.db2.gz HTWPIIIIZNBMNV-DTWKUNHWSA-N 1 0 226.345 1.923 10 0 BDAERO C[C@@H](NC(=O)CCC1C[NH2+]C1)c1cccs1 ZINC000637884717 351754142 /nfs/dbraw/zinc/75/41/42/351754142.db2.gz FZWBEKCGBAHDAJ-SECBINFHSA-N 1 0 238.356 1.925 10 0 BDAERO Cc1nc(C(=O)[C@H]2CCC[C@@H]2[NH3+])cs1 ZINC000307249739 351755960 /nfs/dbraw/zinc/75/59/60/351755960.db2.gz OUWUTRUTZKNCFM-YUMQZZPRSA-N 1 0 210.302 1.762 10 0 BDAERO C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1cccs1 ZINC000637886541 351756902 /nfs/dbraw/zinc/75/69/02/351756902.db2.gz QZEQNVGWISOBOI-SCZZXKLOSA-N 1 0 236.340 1.973 10 0 BDAERO CC[C@@H]1[C@H](C2CC2)[NH2+]C[C@@H](C)[S@]1=O ZINC000307274728 351829254 /nfs/dbraw/zinc/82/92/54/351829254.db2.gz ODLZWWXHCKYGIL-SQFXPHBZSA-N 1 0 201.335 1.284 10 0 BDAERO C[C@@]1(O)CC[NH2+]C[C@@H]1Sc1cccs1 ZINC000300880035 363095496 /nfs/dbraw/zinc/09/54/96/363095496.db2.gz MPIQCFOWELWVPL-WCBMZHEXSA-N 1 0 229.370 1.953 10 0 BDAERO C[C@]1(O)CC[NH2+]C[C@@H]1Sc1cccs1 ZINC000300880037 363095538 /nfs/dbraw/zinc/09/55/38/363095538.db2.gz MPIQCFOWELWVPL-WPRPVWTQSA-N 1 0 229.370 1.953 10 0 BDAERO C[NH2+][C@@]1(CO)CCN(Cc2ccccc2)[C@@H]1C ZINC000307262142 351808435 /nfs/dbraw/zinc/80/84/35/351808435.db2.gz RKFXXEBUWPUUGD-TZMCWYRMSA-N 1 0 234.343 1.231 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000307282283 351846577 /nfs/dbraw/zinc/84/65/77/351846577.db2.gz KTTJXHAKOXTEML-OLZOCXBDSA-N 1 0 247.342 1.604 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638037114 351919393 /nfs/dbraw/zinc/91/93/93/351919393.db2.gz GADQIYZKFCUSJA-DCQANWLSSA-N 1 0 240.347 1.058 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638039226 351920438 /nfs/dbraw/zinc/92/04/38/351920438.db2.gz SHSSDCLXVLLVIE-NQBHXWOUSA-N 1 0 240.347 1.047 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]CC2(F)CCC2)CN1C ZINC000307304512 351931913 /nfs/dbraw/zinc/93/19/13/351931913.db2.gz CCBHPLFNKFYZJI-ZJUUUORDSA-N 1 0 200.301 1.561 10 0 BDAERO CC(C)CNC(=O)N1CCCCC[C@H]1C[NH3+] ZINC000725269532 538101655 /nfs/dbraw/zinc/10/16/55/538101655.db2.gz NBUFDCNQXPMWMF-NSHDSACASA-N 1 0 227.352 1.555 10 0 BDAERO C/C(=C\Cl)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000307296831 351906301 /nfs/dbraw/zinc/90/63/01/351906301.db2.gz RGVOELDXJKGCLH-PIOFTHJTSA-N 1 0 200.713 1.423 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@@H]1CC(F)(F)C(F)F ZINC000307296390 351906532 /nfs/dbraw/zinc/90/65/32/351906532.db2.gz QVYOWGWKWVZKJE-NTSWFWBYSA-N 1 0 215.190 1.247 10 0 BDAERO [NH3+]Cc1ccc(NC(=O)C(F)(F)F)cc1F ZINC000307315952 351991708 /nfs/dbraw/zinc/99/17/08/351991708.db2.gz MYRJEUSCDNPUBE-UHFFFAOYSA-N 1 0 236.168 1.785 10 0 BDAERO C[C@@H]([NH3+])c1cnc(C2CSC2)s1 ZINC000404731638 351994371 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/nfs/dbraw/zinc/22/20/04/352222004.db2.gz GVDOTDBYLRKGPD-MRVPVSSYSA-N 1 0 226.349 1.460 10 0 BDAERO CSC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000300928454 363146884 /nfs/dbraw/zinc/14/68/84/363146884.db2.gz ZLGKOHLVLNAYFW-GHMZBOCLSA-N 1 0 215.362 1.727 10 0 BDAERO CCC[C@H](CNC(=O)[C@@H]([NH3+])CCC)OCC ZINC000638459351 352270712 /nfs/dbraw/zinc/27/07/12/352270712.db2.gz XTQQDZKRARRPKB-MNOVXSKESA-N 1 0 230.352 1.435 10 0 BDAERO CCC[C@H](CNC(=O)[C@H]([NH3+])[C@@H](C)CC)OCC ZINC000638457007 352271365 /nfs/dbraw/zinc/27/13/65/352271365.db2.gz ILKMNUHPBMSCPA-QJPTWQEYSA-N 1 0 244.379 1.681 10 0 BDAERO CO[C@H]1CN(Cc2ccnc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630075864 363163044 /nfs/dbraw/zinc/16/30/44/363163044.db2.gz HEDHBBDIZJLOMA-ZIAGYGMSSA-N 1 0 249.358 1.328 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000224700885 363178725 /nfs/dbraw/zinc/17/87/25/363178725.db2.gz FVULMIVWUCSLQG-VGMNWLOBSA-N 1 0 200.351 1.781 10 0 BDAERO C[C@@H]1CCC[N@H+]([C@H]2CCSC2)[C@H]1CN ZINC000252157520 363182199 /nfs/dbraw/zinc/18/21/99/363182199.db2.gz NNYRWPSNYCJBGC-VWYCJHECSA-N 1 0 214.378 1.551 10 0 BDAERO CC(C)c1nsc(N2C[C@H](C)[NH2+]C[C@H]2C)n1 ZINC000083671089 352303926 /nfs/dbraw/zinc/30/39/26/352303926.db2.gz DMKLKAFSFOFAQP-DTWKUNHWSA-N 1 0 240.376 1.848 10 0 BDAERO CCCCCC[NH2+]CCCS(C)(=O)=O ZINC000038046948 168666916 /nfs/dbraw/zinc/66/69/16/168666916.db2.gz CAGFBDHLMIGHMR-UHFFFAOYSA-N 1 0 221.366 1.591 10 0 BDAERO [NH3+][C@H]1CCc2c1cccc2NC(=O)C1CC1 ZINC000725271370 538103082 /nfs/dbraw/zinc/10/30/82/538103082.db2.gz LAFUSBJQTQNRDF-NSHDSACASA-N 1 0 216.284 1.981 10 0 BDAERO CCCC[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336742310 352396035 /nfs/dbraw/zinc/39/60/35/352396035.db2.gz WSURDTIHYSBJPP-GARJFASQSA-N 1 0 212.337 1.822 10 0 BDAERO Cn1cccc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038049609 180723758 /nfs/dbraw/zinc/72/37/58/180723758.db2.gz SZJPGEKKOKHSON-UWVGGRQHSA-N 1 0 221.304 1.025 10 0 BDAERO C[C@@H]1CC[C@H]([N@@H+]2CCN(C(=O)C3CC3)C2)C1 ZINC000335189211 352409627 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538103567 /nfs/dbraw/zinc/10/35/67/538103567.db2.gz QZBHUDJNSBCNJV-JTQLQIEISA-N 1 0 240.328 1.394 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(N)=S ZINC000307388878 352548115 /nfs/dbraw/zinc/54/81/15/352548115.db2.gz PDSBVGQMLHVJFN-PWSUYJOCSA-N 1 0 249.383 1.340 10 0 BDAERO COC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)C(C)(C)C ZINC000725272451 538104154 /nfs/dbraw/zinc/10/41/54/538104154.db2.gz FPBTXKANNSFNDM-GHMZBOCLSA-N 1 0 242.363 1.115 10 0 BDAERO C[C@H]1CCCCN1C1(C[NH3+])CSC1 ZINC000307421573 352590705 /nfs/dbraw/zinc/59/07/05/352590705.db2.gz RQXXKADVONWPOS-VIFPVBQESA-N 1 0 200.351 1.305 10 0 BDAERO [NH3+][C@@H](c1cnsc1)[C@H]1CCSC1 ZINC000404846814 352590724 /nfs/dbraw/zinc/59/07/24/352590724.db2.gz NAIWNIDOAZBDEX-POYBYMJQSA-N 1 0 200.332 1.896 10 0 BDAERO C[NH+](C)C(C)(C)CNc1cnnc(Cl)c1 ZINC000229126054 352590749 /nfs/dbraw/zinc/59/07/49/352590749.db2.gz OVULOMJKTBQIKX-UHFFFAOYSA-N 1 0 228.727 1.882 10 0 BDAERO C[C@@H]1C[C@@H]1[C@H]1C[S@](=O)CC(C)(C)[NH2+]1 ZINC000307418630 352591387 /nfs/dbraw/zinc/59/13/87/352591387.db2.gz GQUKIWMWRXAYFH-VXFNFUGZSA-N 1 0 201.335 1.142 10 0 BDAERO CC[NH+]1CCN(c2cnnc(Cl)c2)CC1 ZINC000229123714 352591603 /nfs/dbraw/zinc/59/16/03/352591603.db2.gz JPLIUBKZZNTLBP-UHFFFAOYSA-N 1 0 226.711 1.272 10 0 BDAERO CNC(=O)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000044989398 187743856 /nfs/dbraw/zinc/74/38/56/187743856.db2.gz REVAPBLOBNHEAW-UHFFFAOYSA-N 1 0 236.359 1.537 10 0 BDAERO COC(C)(C)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000307426283 352593264 /nfs/dbraw/zinc/59/32/64/352593264.db2.gz FQGTXRBOFHUIAO-ZDUSSCGKSA-N 1 0 236.359 1.871 10 0 BDAERO CSC(C)(C)[C@@H]([NH3+])C1CCOCC1 ZINC000307431926 352594849 /nfs/dbraw/zinc/59/48/49/352594849.db2.gz YKDDUEQZRYHWDK-VIFPVBQESA-N 1 0 203.351 1.882 10 0 BDAERO CC(C)[NH+](C(C)C)[C@H]1CCOC[C@H]1O ZINC000725273060 538104420 /nfs/dbraw/zinc/10/44/20/538104420.db2.gz PZOKYICHPZSFHX-WDEREUQCSA-N 1 0 201.310 1.255 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]([C@@]2(C)CCCS2)O1 ZINC000307448679 352603002 /nfs/dbraw/zinc/60/30/02/352603002.db2.gz MCHQVHSPVSQDHR-KXUCPTDWSA-N 1 0 201.335 1.649 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H](Nc2ncns2)C1 ZINC000307460693 352609746 /nfs/dbraw/zinc/60/97/46/352609746.db2.gz FFLCGGDKEHDXQP-HTQZYQBOSA-N 1 0 212.322 1.468 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1NC(=O)NCc1ccccc1 ZINC000232304001 352610631 /nfs/dbraw/zinc/61/06/31/352610631.db2.gz QOZVKPROWFSDDL-PWSUYJOCSA-N 1 0 233.315 1.094 10 0 BDAERO O=C(NCc1ccccc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000232307010 352612245 /nfs/dbraw/zinc/61/22/45/352612245.db2.gz JIRGMCAILVSYJE-CHWSQXEVSA-N 1 0 245.326 1.047 10 0 BDAERO [NH3+][C@H](Cc1csnn1)[C@H]1CSCCS1 ZINC000307471377 352612763 /nfs/dbraw/zinc/61/27/63/352612763.db2.gz RFCZIWIGOKDOGB-HTQZYQBOSA-N 1 0 247.414 1.257 10 0 BDAERO CC(C)(NC(=O)NCc1ccccc1)C(N)=[NH2+] ZINC000232308352 352614459 /nfs/dbraw/zinc/61/44/59/352614459.db2.gz GLVQHAIKZVBYQQ-UHFFFAOYSA-N 1 0 234.303 1.200 10 0 BDAERO CC(C)(C)n1nnc2c1CC[C@@H](C[NH3+])C2 ZINC000498036371 352570025 /nfs/dbraw/zinc/57/00/25/352570025.db2.gz FEPGYKIENPVKQO-MRVPVSSYSA-N 1 0 208.309 1.097 10 0 BDAERO C[C@@](O)(C[NH3+])c1c(F)cccc1Cl ZINC000307397376 352573989 /nfs/dbraw/zinc/57/39/89/352573989.db2.gz VLSDLRNCUAPLIS-SECBINFHSA-N 1 0 203.644 1.645 10 0 BDAERO C[C@H]([NH3+])C[S@@](=O)CCOCc1ccccc1 ZINC000307405489 352580430 /nfs/dbraw/zinc/58/04/30/352580430.db2.gz FBDHFLQIVHSQGO-ZBEGNZNMSA-N 1 0 241.356 1.299 10 0 BDAERO Cc1nc(C)c(Br)c(C2([NH3+])CC2)n1 ZINC000307408156 352581845 /nfs/dbraw/zinc/58/18/45/352581845.db2.gz FILDXBAZFSXOHE-UHFFFAOYSA-N 1 0 242.120 1.804 10 0 BDAERO C[C@@H]1CSC[C@H]1N1CC[NH2+][C@H](C)C1 ZINC000307409210 352585264 /nfs/dbraw/zinc/58/52/64/352585264.db2.gz FJMOLTMCOOFFHD-OPRDCNLKSA-N 1 0 200.351 1.032 10 0 BDAERO C[C@@]1([NH2+]C[C@@H]2CCCSC2)CCOC1 ZINC000307536100 352641035 /nfs/dbraw/zinc/64/10/35/352641035.db2.gz PGSLXECJLNPBKA-WDEREUQCSA-N 1 0 215.362 1.898 10 0 BDAERO CC(C)(C)c1ccc([C@H](O)[C@@H]([NH3+])CO)cc1 ZINC000077335896 187792182 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1.045 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@]23C[C@@H]2CCCC3)C1 ZINC000638978136 353182880 /nfs/dbraw/zinc/18/28/80/353182880.db2.gz VPEUESKWXODWFP-KQXIARHKSA-N 1 0 222.332 1.563 10 0 BDAERO FC(F)(F)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000095076938 180887028 /nfs/dbraw/zinc/88/70/28/180887028.db2.gz ULVKCBSIYPFORD-SSDOTTSWSA-N 1 0 208.227 1.723 10 0 BDAERO C[C@H](CO)N(C)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412239452 191270288 /nfs/dbraw/zinc/27/02/88/191270288.db2.gz YYLPGZNWYXQLMF-YFKTTZPYSA-N 1 0 242.363 1.087 10 0 BDAERO C[C@H](CC1CCC1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638995553 353237739 /nfs/dbraw/zinc/23/77/39/353237739.db2.gz CYYNCUCCNFUWNA-ZWNOBZJWSA-N 1 0 224.348 1.823 10 0 BDAERO Cc1n[nH]cc1[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000134547805 538112829 /nfs/dbraw/zinc/11/28/29/538112829.db2.gz IGKBNTLEYDUVAN-ONGXEEELSA-N 1 0 223.320 1.938 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000134527937 538112909 /nfs/dbraw/zinc/11/29/09/538112909.db2.gz CGDJAIOWGNSTFT-KCJUWKMLSA-N 1 0 211.261 1.039 10 0 BDAERO FC(F)[C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC000091305191 180908987 /nfs/dbraw/zinc/90/89/87/180908987.db2.gz APMUCOGJSBXXEF-MRVPVSSYSA-N 1 0 205.248 1.800 10 0 BDAERO C[C@@H]1C[C@H](C)[C@@H]2[C@H](C1)[NH2+]C[C@H](C)[S@@]2=O ZINC000252194799 363210345 /nfs/dbraw/zinc/21/03/45/363210345.db2.gz VJOPYUXHEUIIKL-NUWDLMOVSA-N 1 0 215.362 1.530 10 0 BDAERO CC[NH2+][C@H]1CCCc2sc(CO)nc21 ZINC000127215004 353265130 /nfs/dbraw/zinc/26/51/30/353265130.db2.gz PJNKVVPSZQEXTJ-ZETCQYMHSA-N 1 0 212.318 1.622 10 0 BDAERO CN1CC[C@@H]([NH2+]C[C@@H]2CSCCS2)C1 ZINC000131146350 353363884 /nfs/dbraw/zinc/36/38/84/353363884.db2.gz SVIJSKDMJDJFMX-NXEZZACHSA-N 1 0 232.418 1.129 10 0 BDAERO CCc1nsc(O[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000131657706 353372297 /nfs/dbraw/zinc/37/22/97/353372297.db2.gz BPPLLGLMDZRXPX-NKWVEPMBSA-N 1 0 213.306 1.359 10 0 BDAERO CC(C)[C@H](C)S(=O)(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000232762412 353385718 /nfs/dbraw/zinc/38/57/18/353385718.db2.gz QETZXWQGOJIIJG-AEJSXWLSSA-N 1 0 219.350 1.326 10 0 BDAERO C[C@@H]1CC[C@@H](O[C@H]2CCSC2)C[NH2+]1 ZINC000405443286 353419828 /nfs/dbraw/zinc/41/98/28/353419828.db2.gz VYCFBLLLAOQPNO-BBBLOLIVSA-N 1 0 201.335 1.649 10 0 BDAERO C[NH2+]C[C@@H](C)N1CCSC(C)(C)C1 ZINC000133417646 353417897 /nfs/dbraw/zinc/41/78/97/353417897.db2.gz HYKDGXJOBPDLDJ-SECBINFHSA-N 1 0 202.367 1.422 10 0 BDAERO Fc1ccc([C@@]23CCC[NH2+]C[C@@H](CO2)O3)cc1 ZINC000033886236 180983839 /nfs/dbraw/zinc/98/38/39/180983839.db2.gz GJLIAPBJAORBTB-STQMWFEESA-N 1 0 237.274 1.777 10 0 BDAERO CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H]1C ZINC000297595156 188465101 /nfs/dbraw/zinc/46/51/01/188465101.db2.gz HUCOCUQSOYRTFL-TUAOUCFPSA-N 1 0 207.321 1.906 10 0 BDAERO Fc1ccc2c(c1)C[C@H](C[C@@H]1C[NH+]=CN1)C2 ZINC000013537155 180988032 /nfs/dbraw/zinc/98/80/32/180988032.db2.gz HBMJQYDGBNSZMC-NOZJJQNGSA-N 1 0 218.275 1.931 10 0 in-vivo BDAERO C[C@H]([NH3+])c1ccccc1N1CCC[C@@H]1CO ZINC000042432950 188476519 /nfs/dbraw/zinc/47/65/19/188476519.db2.gz HHWDWFFZGMAYCY-WDEREUQCSA-N 1 0 220.316 1.667 10 0 BDAERO [NH3+]CC1([C@@H](O)[C@H]2CCSC2)CCC1 ZINC000224723020 363244187 /nfs/dbraw/zinc/24/41/87/363244187.db2.gz RRFNQPRFPNOXPG-IUCAKERBSA-N 1 0 201.335 1.229 10 0 BDAERO CCCCC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000310039558 168721013 /nfs/dbraw/zinc/72/10/13/168721013.db2.gz XBWKKKZAWYIDGX-AAEUAGOBSA-N 1 0 224.348 1.823 10 0 BDAERO CC(C)(C[NH2+][C@H]1COC[C@H]1O)c1ccccc1 ZINC000037934985 188470432 /nfs/dbraw/zinc/47/04/32/188470432.db2.gz IUKBMHHDJXLKAE-QWHCGFSZSA-N 1 0 235.327 1.314 10 0 BDAERO CC(C)N(Cc1cccnc1)C(=O)C[C@@H](C)[NH3+] ZINC000037822217 188470638 /nfs/dbraw/zinc/47/06/38/188470638.db2.gz TVYXJWPIOQVWKT-LLVKDONJSA-N 1 0 235.331 1.556 10 0 BDAERO Fc1cccc2c1CC[C@H]2[NH2+]C1COC1 ZINC000167645854 181004910 /nfs/dbraw/zinc/00/49/10/181004910.db2.gz VBFUGJXDEPKJJT-GFCCVEGCSA-N 1 0 207.248 1.801 10 0 BDAERO CC1(C)CN(C(=O)OCc2ccccc2)C[C@@H]1[NH3+] ZINC000115446166 370660821 /nfs/dbraw/zinc/66/08/21/370660821.db2.gz OMWSSIGSQHJXRQ-LBPRGKRZSA-N 1 0 248.326 1.992 10 0 BDAERO Fc1cccc2c1CN(C1=[NH+]CCN1)C2 ZINC000095775543 181007231 /nfs/dbraw/zinc/00/72/31/181007231.db2.gz NRUBGXFQHXEWCA-UHFFFAOYSA-N 1 0 205.236 1.101 10 0 BDAERO Fc1cccc2cc(N3CC[NH2+]CC3)oc21 ZINC000083015021 181007919 /nfs/dbraw/zinc/00/79/19/181007919.db2.gz BTWPEMWXDAOXCB-UHFFFAOYSA-N 1 0 220.247 1.982 10 0 BDAERO Fc1ccccc1CC[NH2+]CCn1cccn1 ZINC000049314087 181011754 /nfs/dbraw/zinc/01/17/54/181011754.db2.gz XHJZWPRTVXADBW-UHFFFAOYSA-N 1 0 233.290 1.855 10 0 BDAERO Fc1cnc(SC[C@H]2CC[NH2+]C2)nc1 ZINC000095072057 181019146 /nfs/dbraw/zinc/01/91/46/181019146.db2.gz RYMHWKWREHBODG-ZETCQYMHSA-N 1 0 213.281 1.317 10 0 BDAERO CC(C)[N@H+](CC1CC1)C[C@@]1(CO)CCCOC1 ZINC000104316055 188505434 /nfs/dbraw/zinc/50/54/34/188505434.db2.gz LEFIXTHDYWRQMA-CQSZACIVSA-N 1 0 241.375 1.896 10 0 BDAERO CC[C@@H]1CS[C@]2(CO[C@@H](C)[C@H]2C)[NH2+]1 ZINC000405559687 353867818 /nfs/dbraw/zinc/86/78/18/353867818.db2.gz 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TYKMDIMNEACBIK-MNOVXSKESA-N 1 0 204.273 1.321 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Cc1ccccn1 ZINC000226487559 363415675 /nfs/dbraw/zinc/41/56/75/363415675.db2.gz TYKMDIMNEACBIK-GHMZBOCLSA-N 1 0 204.273 1.321 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Cc1ccccn1 ZINC000226487550 363415844 /nfs/dbraw/zinc/41/58/44/363415844.db2.gz TYKMDIMNEACBIK-WDEREUQCSA-N 1 0 204.273 1.321 10 0 BDAERO C[N@H+](Cc1cccc(O)c1)[C@@H]1CCC[C@H]1O ZINC000335220143 355060181 /nfs/dbraw/zinc/06/01/81/355060181.db2.gz DZIILYCYASQUQQ-CHWSQXEVSA-N 1 0 221.300 1.737 10 0 BDAERO NC(=[NH2+])CCCOc1ccc2c(c1)OCO2 ZINC000019843679 181186183 /nfs/dbraw/zinc/18/61/83/181186183.db2.gz QWFXEMIJUMWWTJ-UHFFFAOYSA-N 1 0 222.244 1.510 10 0 BDAERO NC(=[NH2+])CCN(C[C@@H]1CCCO1)c1ccccc1 ZINC000019519182 181186560 /nfs/dbraw/zinc/18/65/60/181186560.db2.gz ZIRUCYNZBUTLIX-ZDUSSCGKSA-N 1 0 247.342 1.998 10 0 BDAERO NC(=[NH2+])CCOc1ccc2c(c1)OCO2 ZINC000019843678 181187154 /nfs/dbraw/zinc/18/71/54/181187154.db2.gz 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GVIBIGBJHIQNGP-VXGBXAGGSA-N 1 0 236.363 1.646 10 0 BDAERO NC(=[NH2+])c1ccc(OCC(F)(F)F)cc1 ZINC000019426854 181195051 /nfs/dbraw/zinc/19/50/51/181195051.db2.gz RFJDXLNTNKZLJP-UHFFFAOYSA-N 1 0 218.178 1.912 10 0 BDAERO NC(=[NH2+])c1ccccc1OCCc1ccccn1 ZINC000034958509 181195919 /nfs/dbraw/zinc/19/59/19/181195919.db2.gz SOWRSOYHLWDROO-UHFFFAOYSA-N 1 0 241.294 1.987 10 0 BDAERO NC(=[NH2+])c1cccc(OCC(F)(F)F)c1 ZINC000019438840 181196604 /nfs/dbraw/zinc/19/66/04/181196604.db2.gz RLTVHDYJYAQCEP-UHFFFAOYSA-N 1 0 218.178 1.912 10 0 BDAERO CCc1ncnc(N[C@@H]2CC[N@@H+](CC)C2)c1F ZINC000389117208 355693473 /nfs/dbraw/zinc/69/34/73/355693473.db2.gz BKISMYOXAYFZNQ-SECBINFHSA-N 1 0 238.310 1.684 10 0 BDAERO CCOc1cc(N[C@H]2CC[N@H+](CC)C2)ncn1 ZINC000389113508 355684354 /nfs/dbraw/zinc/68/43/54/355684354.db2.gz AVXNZXLDMFNWKO-JTQLQIEISA-N 1 0 236.319 1.381 10 0 BDAERO C[C@H](C[NH3+])Sc1ccc(N)c(F)c1 ZINC000160253320 355760493 /nfs/dbraw/zinc/76/04/93/355760493.db2.gz HIGNRLINLRKHON-ZCFIWIBFSA-N 1 0 200.282 1.847 10 0 BDAERO Cc1nsc(NC2(C)CC[NH2+]CC2)n1 ZINC000129640931 355766209 /nfs/dbraw/zinc/76/62/09/355766209.db2.gz DEMWZFAJHQDBGD-UHFFFAOYSA-N 1 0 212.322 1.401 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)C(C)(C)OC)C1 ZINC000389139831 355730603 /nfs/dbraw/zinc/73/06/03/355730603.db2.gz GUKJVMRTDQAHTR-MNOVXSKESA-N 1 0 214.353 1.484 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)OCC(F)(F)F)C1 ZINC000389142983 355731268 /nfs/dbraw/zinc/73/12/68/355731268.db2.gz HQELSRCMNCKZND-SSDOTTSWSA-N 1 0 240.225 1.369 10 0 BDAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccccc1 ZINC000399161179 355777028 /nfs/dbraw/zinc/77/70/28/355777028.db2.gz CONWSCJHGBPTCU-CYBMUJFWSA-N 1 0 248.370 1.794 10 0 BDAERO C[C@H]([NH3+])[C@H](CC(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000584883532 355834870 /nfs/dbraw/zinc/83/48/70/355834870.db2.gz RPEKBDXMQVQZEK-DCAQKATOSA-N 1 0 243.347 1.861 10 0 BDAERO Cc1cnc(N)c([C@@]2(C)CCC(=O)C2)c1 ZINC000166836308 355853934 /nfs/dbraw/zinc/85/39/34/355853934.db2.gz SQBZFJWYCWRDDQ-LBPRGKRZSA-N 1 0 204.273 1.983 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]Cc2cccs2)CN1C ZINC000129681596 355867713 /nfs/dbraw/zinc/86/77/13/355867713.db2.gz ITWANVIRMGPACJ-ZJUUUORDSA-N 1 0 210.346 1.930 10 0 BDAERO CN1CCC[C@@H]([N@H+](C)[C@@H]2CCCC2=O)C1 ZINC000053246325 355869867 /nfs/dbraw/zinc/86/98/67/355869867.db2.gz QZNLOTVCKPBEBK-GHMZBOCLSA-N 1 0 210.321 1.134 10 0 BDAERO NC(=O)C1(Nc2ccccc2)CCC([NH3+])CC1 ZINC000102996450 181215736 /nfs/dbraw/zinc/21/57/36/181215736.db2.gz SJWWHOVNYVNQNA-UHFFFAOYSA-N 1 0 233.315 1.224 10 0 BDAERO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccc[nH]1 ZINC000167386996 355986353 /nfs/dbraw/zinc/98/63/53/355986353.db2.gz SDWJLCYAUIZXAM-UHFFFAOYSA-N 1 0 241.294 1.913 10 0 BDAERO CO[C@H](C)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167317770 355990422 /nfs/dbraw/zinc/99/04/22/355990422.db2.gz OWJBGHVTFLJKPK-SECBINFHSA-N 1 0 234.299 1.306 10 0 BDAERO O=C(NC[C@H]1CC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000216496419 355996613 /nfs/dbraw/zinc/99/66/13/355996613.db2.gz MVCGOKBPBJXIKY-VIFPVBQESA-N 1 0 246.301 1.538 10 0 BDAERO NC(=O)CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000065554642 181222506 /nfs/dbraw/zinc/22/25/06/181222506.db2.gz SAJJUYRTTQOCPJ-SSDOTTSWSA-N 1 0 224.226 1.136 10 0 BDAERO C[NH+]1C[C@H]2CN(c3ccc(Cl)nn3)C[C@@H]2C1 ZINC000114861987 355964329 /nfs/dbraw/zinc/96/43/29/355964329.db2.gz FGGZPKPZSOJWPE-IUCAKERBSA-N 1 0 238.722 1.128 10 0 BDAERO NC(=O)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000022148587 181237247 /nfs/dbraw/zinc/23/72/47/181237247.db2.gz HSIAHJPHVJLICA-GFCCVEGCSA-N 1 0 218.300 1.529 10 0 BDAERO NC(=O)CC[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038058267 181227763 /nfs/dbraw/zinc/22/77/63/181227763.db2.gz ZFQWMFBUAQPIJY-NSHDSACASA-N 1 0 234.299 1.277 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000020578185 181244541 /nfs/dbraw/zinc/24/45/41/181244541.db2.gz SKYABTBRMVMLTI-LBPRGKRZSA-N 1 0 214.268 1.715 10 0 BDAERO C[C@H](CCCC[NH3+])Nc1ncnc2[nH]ccc21 ZINC000420265577 192193033 /nfs/dbraw/zinc/19/30/33/192193033.db2.gz WEJLLMXNQOWWLT-SECBINFHSA-N 1 0 233.319 1.887 10 0 BDAERO CC1(C[N@@H+]2CC(=O)NCC2(C)C)CCC1 ZINC000336131646 134094690 /nfs/dbraw/zinc/09/46/90/134094690.db2.gz KDVLPZTVCZFYAK-UHFFFAOYSA-N 1 0 210.321 1.387 10 0 BDAERO NC(=O)[C@@]1([NH2+]Cc2ccccc2)CCSC1 ZINC000037941215 181275916 /nfs/dbraw/zinc/27/59/16/181275916.db2.gz VFHSYZWNXDLKGL-GFCCVEGCSA-N 1 0 236.340 1.137 10 0 BDAERO [NH3+]Cc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC000145609550 356481747 /nfs/dbraw/zinc/48/17/47/356481747.db2.gz VCEHBBQNHHAKIR-UHFFFAOYSA-N 1 0 249.039 1.955 10 0 BDAERO COC(=O)C[C@@H]1C[N@@H+]([C@H](C)C(C)C)CCO1 ZINC000319545560 356477238 /nfs/dbraw/zinc/47/72/38/356477238.db2.gz MYWOLDXVTHUSSX-GHMZBOCLSA-N 1 0 229.320 1.295 10 0 BDAERO Cc1noc(C)c1CC[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000421026511 192308415 /nfs/dbraw/zinc/30/84/15/192308415.db2.gz RYXMKVYIZQNOQX-JOYOIKCWSA-N 1 0 238.331 1.679 10 0 BDAERO Cc1cnc(N[C@H]2CC[C@@H](C)[NH2+]C2)nc1 ZINC000630091061 363494711 /nfs/dbraw/zinc/49/47/11/363494711.db2.gz FCMIZOFIAVCCKR-ZJUUUORDSA-N 1 0 206.293 1.337 10 0 BDAERO C[C@H](CO)C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000228200033 491099264 /nfs/dbraw/zinc/09/92/64/491099264.db2.gz ISNPOGMORXJGBD-AVGNSLFASA-N 1 0 226.364 1.173 10 0 BDAERO CCCc1noc([C@H]2OCC[C@@H]2C[NH3+])n1 ZINC000675058661 538481865 /nfs/dbraw/zinc/48/18/65/538481865.db2.gz RFPLSVGWWBXKIZ-APPZFPTMSA-N 1 0 211.265 1.058 10 0 BDAERO C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](CO)O2)[C@H]1C ZINC000675059069 538483422 /nfs/dbraw/zinc/48/34/22/538483422.db2.gz JDHNVPHAGVDVEE-MROQNXINSA-N 1 0 227.348 1.647 10 0 BDAERO CCOc1ccc([C@H](C)[NH2+][C@H](C)CO)o1 ZINC000675056153 538477947 /nfs/dbraw/zinc/47/79/47/538477947.db2.gz FEBCUSCWNJSCQZ-BDAKNGLRSA-N 1 0 213.277 1.710 10 0 BDAERO CON(C)C(=O)C[C@H]([NH3+])C1CCCCC1 ZINC000675060323 538485889 /nfs/dbraw/zinc/48/58/89/538485889.db2.gz DYZBPRZNBJJBBI-JTQLQIEISA-N 1 0 214.309 1.304 10 0 BDAERO CC1CC(C(=O)N[C@H](C[NH3+])C(C)(C)C)C1 ZINC000582235798 356652156 /nfs/dbraw/zinc/65/21/56/356652156.db2.gz MJRIJJJTAWRBFX-UDNWOFFPSA-N 1 0 212.337 1.522 10 0 BDAERO Cc1cn2c(n1)[C@@H]([C@@H]1CCOC1)[NH2+]CCC2 ZINC000675067335 538493599 /nfs/dbraw/zinc/49/35/99/538493599.db2.gz ALCOUQARDBWZTO-GHMZBOCLSA-N 1 0 221.304 1.262 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)C1CC1 ZINC000168003468 134155557 /nfs/dbraw/zinc/15/55/57/134155557.db2.gz RQLNNTCDEXOGQS-AGIUHOORSA-N 1 0 227.348 1.552 10 0 BDAERO N[C@H]1C=C(C[C@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076657 538511342 /nfs/dbraw/zinc/51/13/42/538511342.db2.gz FNOGBIFBDBWRQP-SCZZXKLOSA-N 1 0 216.275 1.669 10 0 BDAERO C[C@H]([NH3+])c1ccc(-c2c(N)cnn2C)cc1F ZINC000675071050 538501580 /nfs/dbraw/zinc/50/15/80/538501580.db2.gz WHJVPHRDPMSAAT-ZETCQYMHSA-N 1 0 234.278 1.828 10 0 BDAERO CCCC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675071060 538502154 /nfs/dbraw/zinc/50/21/54/538502154.db2.gz WKQWVVDJXRLCRX-GWOFURMSSA-N 1 0 210.321 1.276 10 0 BDAERO CCCC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675071061 538502173 /nfs/dbraw/zinc/50/21/73/538502173.db2.gz WKQWVVDJXRLCRX-ZNSHCXBVSA-N 1 0 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227.666 1.827 10 0 BDAERO [NH3+]CC[C@H](O)c1cc(F)ccc1Br ZINC000083557835 538513815 /nfs/dbraw/zinc/51/38/15/538513815.db2.gz DGBYFDARPIYUKA-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO CC1=C[C@@H](NC(=O)OC(C)(C)C)C[NH2+]C1 ZINC000675077808 538514026 /nfs/dbraw/zinc/51/40/26/538514026.db2.gz IXVDMLJXJQEJRI-SECBINFHSA-N 1 0 212.293 1.429 10 0 BDAERO N[C@H]1C=C(c2ccccc2Cl)C[NH2+]C1 ZINC000675077995 538515386 /nfs/dbraw/zinc/51/53/86/538515386.db2.gz LUDUYHFSQOTUTO-VIFPVBQESA-N 1 0 208.692 1.654 10 0 BDAERO Cc1ccc(C2=C[C@@H]([NH3+])CNC2)c(F)c1 ZINC000675078693 538516778 /nfs/dbraw/zinc/51/67/78/538516778.db2.gz RKCSMQUTXIUWRJ-SNVBAGLBSA-N 1 0 206.264 1.448 10 0 BDAERO CSc1ccc(C2=C[C@@H](N)C[NH2+]C2)cc1 ZINC000675079297 538517800 /nfs/dbraw/zinc/51/78/00/538517800.db2.gz XMSJJVCUMQNPFU-LLVKDONJSA-N 1 0 220.341 1.722 10 0 BDAERO CC(C)(C)OC(=O)c1nc2c([nH]1)C[NH2+]CC2 ZINC000675080019 538519751 /nfs/dbraw/zinc/51/97/51/538519751.db2.gz KXCBBLGSXLFJMT-UHFFFAOYSA-N 1 0 223.276 1.011 10 0 BDAERO 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10 0 BDAERO C[C@H](O)C1([NH+]2CCN(C)CC2)CCCCC1 ZINC000584601414 358258158 /nfs/dbraw/zinc/25/81/58/358258158.db2.gz NGWJMNFIFZLKPC-LBPRGKRZSA-N 1 0 226.364 1.318 10 0 BDAERO NC(=O)c1ccc([C@@H]2CCC[NH2+]C2)c2cc[nH]c21 ZINC000584619068 358285618 /nfs/dbraw/zinc/28/56/18/358285618.db2.gz CDBJHDBFGGGWEB-SECBINFHSA-N 1 0 243.310 1.734 10 0 BDAERO C[Si](C)(C)CCOCn1ncc(CC[NH3+])n1 ZINC000584625277 358294223 /nfs/dbraw/zinc/29/42/23/358294223.db2.gz IVYABWXLAKQRLO-UHFFFAOYSA-N 1 0 242.399 1.092 10 0 BDAERO Cc1cc2c(cn1)C1(CC[NH2+]CC1)OC2 ZINC000584648608 358303211 /nfs/dbraw/zinc/30/32/11/358303211.db2.gz MJOPDSJOVBHIGG-UHFFFAOYSA-N 1 0 204.273 1.499 10 0 BDAERO C[C@@]1(C(=O)N[C@H]2CCSC2)CCCC[NH2+]1 ZINC000227695457 358361220 /nfs/dbraw/zinc/36/12/20/358361220.db2.gz YGIPTKBRECIUPN-ONGXEEELSA-N 1 0 228.361 1.140 10 0 BDAERO CC(C)(CN)[N@@H+]1CCSC(C)(C)CC1 ZINC000231034168 358517377 /nfs/dbraw/zinc/51/73/77/358517377.db2.gz OTPVYYXANSVBPM-UHFFFAOYSA-N 1 0 216.394 1.941 10 0 BDAERO C[C@H](C[NH3+])N1CCSC(C)(C)CC1 ZINC000231036840 358518708 /nfs/dbraw/zinc/51/87/08/358518708.db2.gz STEDWVOZIYYRNE-SECBINFHSA-N 1 0 202.367 1.551 10 0 BDAERO CCN(CC)C[C@@H](C)[NH2+]CC(C)(C)O ZINC000045703582 358416161 /nfs/dbraw/zinc/41/61/61/358416161.db2.gz OJFWDDHJPQJINK-SNVBAGLBSA-N 1 0 202.342 1.077 10 0 BDAERO [NH3+][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000044232895 358547109 /nfs/dbraw/zinc/54/71/09/358547109.db2.gz GXJHQFQPGIMRQW-VIFPVBQESA-N 1 0 235.205 1.967 10 0 BDAERO COc1ccccc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392953794 259480207 /nfs/dbraw/zinc/48/02/07/259480207.db2.gz VLOWCSSLAMJMIA-PWSUYJOCSA-N 1 0 248.326 1.452 10 0 BDAERO CNC(=[NH2+])N1CCSC(C)(C)CC1 ZINC000231051154 358578814 /nfs/dbraw/zinc/57/88/14/358578814.db2.gz XSRKPVUZWSKTJQ-UHFFFAOYSA-N 1 0 201.339 1.358 10 0 BDAERO CO[C@@H]1CCCC[C@]12[NH2+][C@H](C)CS2 ZINC000300214899 358537041 /nfs/dbraw/zinc/53/70/41/358537041.db2.gz YTJYWRRTIUXASR-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO CCOC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175041286 134284400 /nfs/dbraw/zinc/28/44/00/134284400.db2.gz OHVQWXKDEMGEAP-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]Cc1cncnc1 ZINC000130648404 358638813 /nfs/dbraw/zinc/63/88/13/358638813.db2.gz NUQVBXHKRIHUIO-NEPJUHHUSA-N 1 0 221.304 1.260 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@@H](CN)[C@H]2CCSC2)C1 ZINC000300231745 358589396 /nfs/dbraw/zinc/58/93/96/358589396.db2.gz IPMXDPORYBBEMB-VWYCJHECSA-N 1 0 214.378 1.409 10 0 BDAERO CN1CC[C@H]([NH3+])[C@H]1c1ncc(Cl)s1 ZINC000300230653 358595045 /nfs/dbraw/zinc/59/50/45/358595045.db2.gz BZVXVGIARFCDDF-FSPLSTOPSA-N 1 0 217.725 1.500 10 0 BDAERO C[C@@H](C[NH3+])[C@@H](O)c1ccc(Br)cn1 ZINC000130191087 358750113 /nfs/dbraw/zinc/75/01/13/358750113.db2.gz XEADTJPPAVNSEI-IMTBSYHQSA-N 1 0 245.120 1.472 10 0 BDAERO Cc1cccc(C(=O)NC[C@@H]2CC[NH2+]C2)c1O ZINC000133615598 358761185 /nfs/dbraw/zinc/76/11/85/358761185.db2.gz DKCQEYCOJDSFST-SNVBAGLBSA-N 1 0 234.299 1.040 10 0 BDAERO 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O[C@@H]1CCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000308870481 491139241 /nfs/dbraw/zinc/13/92/41/491139241.db2.gz JKOGWBLUJTWSSI-QJPTWQEYSA-N 1 0 213.321 1.164 10 0 BDAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CCN2CCC[C@H]2C1 ZINC000246599618 359150193 /nfs/dbraw/zinc/15/01/93/359150193.db2.gz VTMJPONLCLXPRP-YNEHKIRRSA-N 1 0 224.348 1.070 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOCC1CC1 ZINC000246641774 359153373 /nfs/dbraw/zinc/15/33/73/359153373.db2.gz IFHBFQBCLZLFBZ-OCCSQVGLSA-N 1 0 238.375 1.582 10 0 BDAERO CCC(CC)C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404196414 359163900 /nfs/dbraw/zinc/16/39/00/359163900.db2.gz JFVFKQVFGVOJGU-OLZOCXBDSA-N 1 0 226.364 1.485 10 0 BDAERO CC[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246960868 359177037 /nfs/dbraw/zinc/17/70/37/359177037.db2.gz DJMCXMAPOZEOIF-TUAOUCFPSA-N 1 0 224.348 1.728 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247550540 359232965 /nfs/dbraw/zinc/23/29/65/359232965.db2.gz ZGAZTVBHMSOGCL-WYUUTHIRSA-N 1 0 222.332 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1.231 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1c1cncc(Cl)n1 ZINC000306211873 359305179 /nfs/dbraw/zinc/30/51/79/359305179.db2.gz VCIFIJGAAGQRBH-RNFRBKRXSA-N 1 0 212.684 1.056 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1c1cncc(Cl)n1 ZINC000306211874 359305246 /nfs/dbraw/zinc/30/52/46/359305246.db2.gz VCIFIJGAAGQRBH-RQJHMYQMSA-N 1 0 212.684 1.056 10 0 BDAERO [NH3+][C@@]1(c2ccncc2Br)CCOC1 ZINC000306214179 359314886 /nfs/dbraw/zinc/31/48/86/359314886.db2.gz WOMYJEYDZKWQTQ-VIFPVBQESA-N 1 0 243.104 1.418 10 0 BDAERO CCNC(=[NH2+])[C@H]1SCCS[C@@H]1C ZINC000228187190 359359854 /nfs/dbraw/zinc/35/98/54/359359854.db2.gz OOGTZMAYLUAIBY-RQJHMYQMSA-N 1 0 204.364 1.810 10 0 BDAERO C[C@H](C[NH3+])[C@@H](F)c1cc(Cl)cnc1N ZINC000306230405 359364767 /nfs/dbraw/zinc/36/47/67/359364767.db2.gz ZORWYZGKUJYGEL-SVGQVSJJSA-N 1 0 217.675 1.923 10 0 BDAERO COc1cccc([C@]23C[N@H+](C)C[C@H]2CC3=O)c1 ZINC000253712381 359329712 /nfs/dbraw/zinc/32/97/12/359329712.db2.gz VDOONFHZSIUWEA-BXUZGUMPSA-N 1 0 231.295 1.467 10 0 BDAERO 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Cc1ccc(C)c(C[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000623764728 359629900 /nfs/dbraw/zinc/62/99/00/359629900.db2.gz JHXVCNPVFFPJAY-KBPBESRZSA-N 1 0 235.327 1.543 10 0 BDAERO CCc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000623765187 359641909 /nfs/dbraw/zinc/64/19/09/359641909.db2.gz OWWJJLGGMUAFBC-UONOGXRCSA-N 1 0 235.327 1.488 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCO1 ZINC000309046525 491143368 /nfs/dbraw/zinc/14/33/68/491143368.db2.gz NMTFRJFQDZLPQJ-QCNOEVLYSA-N 1 0 213.321 1.447 10 0 BDAERO C[C@@H]1CCS[C@]2(COCC2(C)C)[NH2+]1 ZINC000306372242 359705086 /nfs/dbraw/zinc/70/50/86/359705086.db2.gz HYBXPJKMNQUREY-SCZZXKLOSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12COC(=[NH2+])N2 ZINC000306377616 359718159 /nfs/dbraw/zinc/71/81/59/359718159.db2.gz OCRLIHCMWXDVFT-BXUZGUMPSA-N 1 0 245.326 1.365 10 0 BDAERO FC(F)[C@@H]1C[NH2+]CCN1[C@H]1CCSC1 ZINC000306391171 359754920 /nfs/dbraw/zinc/75/49/20/359754920.db2.gz DBIWNZKBMPGUMB-YUMQZZPRSA-N 1 0 222.304 1.031 10 0 BDAERO C[C@H]1CN(C(=[NH2+])NCc2ccccc2)CCCO1 ZINC000306382508 359736723 /nfs/dbraw/zinc/73/67/23/359736723.db2.gz ZRUTZXKRLGBRHC-LBPRGKRZSA-N 1 0 247.342 1.822 10 0 BDAERO CC[C@]1([C@H]2CCOC2)[NH2+]CCCS1 ZINC000306410508 359795918 /nfs/dbraw/zinc/79/59/18/359795918.db2.gz LWCRSIRJAUNPCC-UWVGGRQHSA-N 1 0 201.335 1.856 10 0 BDAERO Cn1ncc(Br)c1C[C@@H]1CCC[NH2+]1 ZINC000306399401 359766381 /nfs/dbraw/zinc/76/63/81/359766381.db2.gz LELYEKBDUMYXFN-ZETCQYMHSA-N 1 0 244.136 1.477 10 0 BDAERO Cc1sccc1C[NH2+][C@H]1CCOC[C@H]1O ZINC000623766079 359815010 /nfs/dbraw/zinc/81/50/10/359815010.db2.gz ACTAJRSQGJFTBL-WDEREUQCSA-N 1 0 227.329 1.296 10 0 BDAERO CC1CC([NH2+][C@@H]2CCc3nccn3C2)C1 ZINC000309106245 491145014 /nfs/dbraw/zinc/14/50/14/491145014.db2.gz IAPZQMWBUWVDCG-HSOILSAZSA-N 1 0 205.305 1.586 10 0 BDAERO CC(C)n1ncc(Br)c1C1C[NH2+]C1 ZINC000306426296 359880531 /nfs/dbraw/zinc/88/05/31/359880531.db2.gz UTRFCQHRXAZSNV-UHFFFAOYSA-N 1 0 244.136 1.913 10 0 BDAERO CC1(C)CSC(N[C@@H]2CCSC2)=[NH+]1 ZINC000231359947 359916123 /nfs/dbraw/zinc/91/61/23/359916123.db2.gz IAJZXRBWKHXOST-SSDOTTSWSA-N 1 0 216.375 1.963 10 0 BDAERO CC1(C)CSC(N[C@H]2CCSC2)=[NH+]1 ZINC000231359950 359916182 /nfs/dbraw/zinc/91/61/82/359916182.db2.gz IAJZXRBWKHXOST-ZETCQYMHSA-N 1 0 216.375 1.963 10 0 BDAERO CCOC(=O)[C@@H](CC)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089709887 360035741 /nfs/dbraw/zinc/03/57/41/360035741.db2.gz QPZWPKUGDSSWGQ-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO CC[C@@H](COC)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090226286 360066817 /nfs/dbraw/zinc/06/68/17/360066817.db2.gz YJIQNJLGVMSFNS-QWRGUYRKSA-N 1 0 238.335 1.436 10 0 BDAERO COCC[C@@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090223434 360067062 /nfs/dbraw/zinc/06/70/62/360067062.db2.gz WZJYHBDLOFWDDU-KOLCDFICSA-N 1 0 238.335 1.436 10 0 BDAERO CC(C)[N@H+](CCO)C[C@@H]1Cc2ccccc2O1 ZINC000090876798 360091245 /nfs/dbraw/zinc/09/12/45/360091245.db2.gz XLIDWMCGYJBSOZ-ZDUSSCGKSA-N 1 0 235.327 1.693 10 0 BDAERO C[C@H]([NH3+])[C@](C)(O)c1ccsc1Cl ZINC000306475172 360113708 /nfs/dbraw/zinc/11/37/08/360113708.db2.gz WWGQQAHZQOMTCI-XNCJUZBTSA-N 1 0 205.710 1.956 10 0 BDAERO Cn1cccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000092785392 360196354 /nfs/dbraw/zinc/19/63/54/360196354.db2.gz VKHNJCGSAQPXJK-LBPRGKRZSA-N 1 0 222.332 1.762 10 0 BDAERO Cn1cccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092648228 360187893 /nfs/dbraw/zinc/18/78/93/360187893.db2.gz KZRVXGSPGNGALQ-UHFFFAOYSA-N 1 0 245.330 1.454 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCOC ZINC000092696105 360191141 /nfs/dbraw/zinc/19/11/41/360191141.db2.gz KWYDNKRYIGQLSI-UONOGXRCSA-N 1 0 240.391 1.972 10 0 BDAERO C[C@H](CC[NH3+])Nc1cncc(Cl)n1 ZINC000306496077 360223295 /nfs/dbraw/zinc/22/32/95/360223295.db2.gz WTFKMUCRZJREHY-ZCFIWIBFSA-N 1 0 200.673 1.279 10 0 BDAERO CCOCC[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000093312813 360228009 /nfs/dbraw/zinc/22/80/09/360228009.db2.gz KNLHVNUZFHTBCA-NSHDSACASA-N 1 0 233.352 1.131 10 0 BDAERO CCOCCN(C)Cc1nnc(C)n1CC ZINC000093313900 360229531 /nfs/dbraw/zinc/22/95/31/360229531.db2.gz WECYLUFRYDUBRB-UHFFFAOYSA-N 1 0 226.324 1.075 10 0 BDAERO c1ccc2c(c1)CCN2CCCN[C@H]1CC[NH2+]C1 ZINC000094075643 360295271 /nfs/dbraw/zinc/29/52/71/360295271.db2.gz FEMUWDVXGVTFKZ-AWEZNQCLSA-N 1 0 245.370 1.391 10 0 BDAERO Cc1c(C[NH2+]CCOCCC(C)C)cnn1C ZINC000093650209 360267500 /nfs/dbraw/zinc/26/75/00/360267500.db2.gz AFHRUJUNPBVIMR-UHFFFAOYSA-N 1 0 239.363 1.881 10 0 BDAERO C[C@@H]1CNC(C)(C)C[N@@H+]1[C@@H]1CCSC1 ZINC000231420034 360274607 /nfs/dbraw/zinc/27/46/07/360274607.db2.gz UZVGZNJUQJHOGQ-NXEZZACHSA-N 1 0 214.378 1.564 10 0 BDAERO C[C@@H]1C[C@@H](c2c(Cl)cnn2C)[C@@H](C)[NH2+]1 ZINC000306524356 360368616 /nfs/dbraw/zinc/36/86/16/360368616.db2.gz AGCYLHHULBAXDY-BWZBUEFSSA-N 1 0 213.712 1.927 10 0 BDAERO COC1([C@H]2[NH2+][C@H](C)CS2)CCCC1 ZINC000306538401 360400122 /nfs/dbraw/zinc/40/01/22/360400122.db2.gz MISQHWDEJBVOGT-BDAKNGLRSA-N 1 0 201.335 1.997 10 0 BDAERO C[NH+](C)[C@H]1CCO[C@]2(CCSC2)C1 ZINC000306536606 360395739 /nfs/dbraw/zinc/39/57/39/360395739.db2.gz QOGFKDZFHRUEMT-VHSXEESVSA-N 1 0 201.335 1.603 10 0 BDAERO [NH3+][C@@H]1CC[C@H](NC(=O)c2ccsc2)C1 ZINC000306534135 360395918 /nfs/dbraw/zinc/39/59/18/360395918.db2.gz DHKPMKYKGSLIMK-BDAKNGLRSA-N 1 0 210.302 1.358 10 0 BDAERO CC[C@H]1CN([C@@H](C)C(F)(F)F)CC[NH2+]1 ZINC000306535236 360398152 /nfs/dbraw/zinc/39/81/52/360398152.db2.gz FRWCQOAOHQWFCS-YUMQZZPRSA-N 1 0 210.243 1.621 10 0 BDAERO Cc1cc(C(=O)[C@@H](C)[C@H](C)[NH3+])cnc1C ZINC000306563588 360441778 /nfs/dbraw/zinc/44/17/78/360441778.db2.gz VQKCKZVNXLEQFQ-IUCAKERBSA-N 1 0 206.289 1.864 10 0 BDAERO CC[C@@H](C(N)=[NH2+])N1CCSC[C@@H]1C ZINC000069761054 360409370 /nfs/dbraw/zinc/40/93/70/360409370.db2.gz FGWBPIZKBJROKJ-YUMQZZPRSA-N 1 0 201.339 1.138 10 0 BDAERO [NH3+]Cc1cn(C[C@H]2CCCCS2)cn1 ZINC000300731095 360423975 /nfs/dbraw/zinc/42/39/75/360423975.db2.gz IQPURCSACHLOHO-SNVBAGLBSA-N 1 0 211.334 1.628 10 0 BDAERO Cc1sccc1[C@H]1[C@@H]([NH3+])CC(=O)N1C ZINC000306559893 360434964 /nfs/dbraw/zinc/43/49/64/360434964.db2.gz LXZMCIMPMLYCPP-WPRPVWTQSA-N 1 0 210.302 1.287 10 0 BDAERO C[C@@H]1CN[C@@](C)([C@@H]2CC[NH2+]C2)SC1 ZINC000306580326 360470862 /nfs/dbraw/zinc/47/08/62/360470862.db2.gz OKLCNHVYDSXTNV-OPRDCNLKSA-N 1 0 200.351 1.285 10 0 BDAERO NC(=O)c1ccc(N[C@H]2CCC[C@@H]2[NH3+])c(F)c1 ZINC000063176897 181301399 /nfs/dbraw/zinc/30/13/99/181301399.db2.gz OAAITFYWFGDKQM-ONGXEEELSA-N 1 0 237.278 1.216 10 0 BDAERO C[C@H]([NH3+])CNc1cncc(Br)c1 ZINC000300752303 360454978 /nfs/dbraw/zinc/45/49/78/360454978.db2.gz KTUVVODZPJVNBH-LURJTMIESA-N 1 0 230.109 1.603 10 0 BDAERO C[C@@H]1SCCC[C@]12CC[NH2+][C@@H]2CO ZINC000306593591 360514257 /nfs/dbraw/zinc/51/42/57/360514257.db2.gz DQKBPTPLFSQJIM-AEJSXWLSSA-N 1 0 201.335 1.243 10 0 BDAERO CS[C@H]1CCCN(C2C[NH2+]C2)CC1 ZINC000300802498 360514356 /nfs/dbraw/zinc/51/43/56/360514356.db2.gz FSFMXVOKMBBHIA-JTQLQIEISA-N 1 0 200.351 1.176 10 0 BDAERO C[C@@H]1SCCC[C@]12CC[NH2+][C@H]2CO ZINC000306593594 360514428 /nfs/dbraw/zinc/51/44/28/360514428.db2.gz DQKBPTPLFSQJIM-GUBZILKMSA-N 1 0 201.335 1.243 10 0 BDAERO C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000309536189 491150370 /nfs/dbraw/zinc/15/03/70/491150370.db2.gz FBHIWJQSZVGQIV-WOPDTQHZSA-N 1 0 223.320 1.165 10 0 BDAERO NC(=O)c1ccccc1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063214645 181305955 /nfs/dbraw/zinc/30/59/55/181305955.db2.gz RJJPMZMOUIFMCL-WCQYABFASA-N 1 0 247.342 1.857 10 0 BDAERO CC(C)[N@H+](C)[C@@]1(CN)CCO[C@H](C)C1 ZINC000069892006 360949587 /nfs/dbraw/zinc/94/95/87/360949587.db2.gz IAWRZVITVBQFFX-MNOVXSKESA-N 1 0 200.326 1.223 10 0 BDAERO C/C(=C/Cl)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000379470821 360953150 /nfs/dbraw/zinc/95/31/50/360953150.db2.gz QCVRJSOMYNEQDO-WMDQRADGSA-N 1 0 202.729 1.811 10 0 BDAERO C[C@H]1CN(C(C)(C)C[NH3+])C[C@H](C)S1 ZINC000069908327 361001185 /nfs/dbraw/zinc/00/11/85/361001185.db2.gz BJACPQHOENOKBT-IUCAKERBSA-N 1 0 202.367 1.550 10 0 BDAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H](C)CC2)C[C@@H]1[NH3+] ZINC000417552595 200809378 /nfs/dbraw/zinc/80/93/78/200809378.db2.gz DOZYERQQFSADRM-KKOKHZNYSA-N 1 0 239.363 1.554 10 0 BDAERO [NH3+][C@H]1CC[S@@](=O)c2ccc(Cl)cc21 ZINC000040973634 360985458 /nfs/dbraw/zinc/98/54/58/360985458.db2.gz HYJCWLHEQJBWNG-SDBXPKJASA-N 1 0 215.705 1.851 10 0 BDAERO CC(C)NC(=[NH2+])N1C[C@@H](C)S[C@@H](C)C1 ZINC000069910004 361017149 /nfs/dbraw/zinc/01/71/49/361017149.db2.gz AEDPJSUUCXENSC-DTORHVGOSA-N 1 0 215.366 1.745 10 0 BDAERO c1ccc2c(c1)CO[C@H](CN[C@@H]1CC[NH2+]C1)C2 ZINC000629514043 361110718 /nfs/dbraw/zinc/11/07/18/361110718.db2.gz OZOSLJOPSJGTOT-KGLIPLIRSA-N 1 0 232.327 1.079 10 0 BDAERO c1ccc2c(c1)CO[C@H](CN[C@H]1CC[NH2+]C1)C2 ZINC000629514042 361110882 /nfs/dbraw/zinc/11/08/82/361110882.db2.gz OZOSLJOPSJGTOT-KBPBESRZSA-N 1 0 232.327 1.079 10 0 BDAERO [NH3+]C1(C(=O)N2C[C@@H]3CCCCC[C@H]32)CC1 ZINC000309591128 181324233 /nfs/dbraw/zinc/32/42/33/181324233.db2.gz ZJKIBRDGGKLDCW-VHSXEESVSA-N 1 0 208.305 1.269 10 0 BDAERO [NH3+]C1(C(=O)NC[C@@H]2CCCOC2)CCCCC1 ZINC000038046102 181325340 /nfs/dbraw/zinc/32/53/40/181325340.db2.gz CMSJXEOGCJVDST-NSHDSACASA-N 1 0 240.347 1.191 10 0 BDAERO [NH3+][C@H](c1noc(C(F)(F)F)n1)C1CC1 ZINC000041047647 361188737 /nfs/dbraw/zinc/18/87/37/361188737.db2.gz KZAXFKLXIKTLJS-BYPYZUCNSA-N 1 0 207.155 1.498 10 0 BDAERO [NH3+]C1(C(=O)NCCc2ccco2)CCCC1 ZINC000037479480 181325533 /nfs/dbraw/zinc/32/55/33/181325533.db2.gz YHCPGECRHIVICM-UHFFFAOYSA-N 1 0 222.288 1.210 10 0 BDAERO C[NH2+]Cc1cn([C@H]2CCS[C@H]2C)cn1 ZINC000306618454 361194316 /nfs/dbraw/zinc/19/43/16/361194316.db2.gz SLPOXVNWKCRVRA-WPRPVWTQSA-N 1 0 211.334 1.669 10 0 BDAERO O[C@H](c1sccc1Br)C1C[NH2+]C1 ZINC000306615103 361164701 /nfs/dbraw/zinc/16/47/01/361164701.db2.gz MTDDACBRMVCGDW-ZETCQYMHSA-N 1 0 248.145 1.763 10 0 BDAERO [NH3+]C1(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCCC1 ZINC000237905687 181326050 /nfs/dbraw/zinc/32/60/50/181326050.db2.gz VMDSTQVCPYHSEF-TXEJJXNPSA-N 1 0 236.359 1.907 10 0 BDAERO CN([C@H]1CC[N@H+](C)C1)[C@@H]1CCCCC1=O ZINC000306623129 361244183 /nfs/dbraw/zinc/24/41/83/361244183.db2.gz DFDDHXHZDWFARY-WDEREUQCSA-N 1 0 210.321 1.134 10 0 BDAERO C[C@@H](CCCCO)[NH2+][C@@H](C)c1ncnn1C ZINC000309750995 491155555 /nfs/dbraw/zinc/15/55/55/491155555.db2.gz KNSPLGVAABUBLR-UWVGGRQHSA-N 1 0 226.324 1.017 10 0 BDAERO Cc1sc(=O)n(C[C@H](C)C[NH3+])c1C ZINC000070068537 361396637 /nfs/dbraw/zinc/39/66/37/361396637.db2.gz JAROUKCXOFQZJA-ZCFIWIBFSA-N 1 0 200.307 1.121 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@](C)(CO)C(C)C ZINC000352894971 366777341 /nfs/dbraw/zinc/77/73/41/366777341.db2.gz UTIHTDPNGYPFHB-OLZOCXBDSA-N 1 0 247.379 1.161 10 0 BDAERO [NH3+]C1(c2nc3cccnc3[nH]2)CCCC1 ZINC000044264461 181335005 /nfs/dbraw/zinc/33/50/05/181335005.db2.gz HLIPZJXXELBBRY-UHFFFAOYSA-N 1 0 202.261 1.686 10 0 BDAERO [NH3+]C1(c2nnc3cccnn32)CCCCC1 ZINC000082976004 181336815 /nfs/dbraw/zinc/33/68/15/181336815.db2.gz RTEWFERHNGGEHH-UHFFFAOYSA-N 1 0 217.276 1.242 10 0 BDAERO CCN(Cc1ccoc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000629599548 361487935 /nfs/dbraw/zinc/48/79/35/361487935.db2.gz JCAKIBLLCKEUKO-LBPRGKRZSA-N 1 0 236.315 1.628 10 0 BDAERO C[C@H]1C[C@](CO)([NH2+]Cc2ccccc2)CCO1 ZINC000070371771 361510858 /nfs/dbraw/zinc/51/08/58/361510858.db2.gz MVJURCJGZSAQEB-GXTWGEPZSA-N 1 0 235.327 1.706 10 0 BDAERO CO[C@H]1C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000629616736 361510968 /nfs/dbraw/zinc/51/09/68/361510968.db2.gz KHQOOHWKCBBXBF-AXFHLTTASA-N 1 0 215.337 1.408 10 0 BDAERO [NH2+]=C1N[C@]2(CO1)CCc1ccccc1C2 ZINC000013743775 181339264 /nfs/dbraw/zinc/33/92/64/181339264.db2.gz ZFZUYTCCHMWWTD-GFCCVEGCSA-N 1 0 202.257 1.259 10 0 BDAERO NC1=[NH+]N(c2ccc(Br)cc2)CC1 ZINC000034090136 181339356 /nfs/dbraw/zinc/33/93/56/181339356.db2.gz LZXKXJKLKIEWRU-UHFFFAOYSA-N 1 0 240.104 1.931 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000434540368 201226809 /nfs/dbraw/zinc/22/68/09/201226809.db2.gz MHNRPNYHNGXRKX-CHWSQXEVSA-N 1 0 247.379 1.255 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)C(C)C ZINC000153803046 201249706 /nfs/dbraw/zinc/24/97/06/201249706.db2.gz PPPRUVMMKSTMAS-AGIUHOORSA-N 1 0 229.364 1.798 10 0 BDAERO [NH3+]C1CCC(C(=O)NCC2CCCC2)CC1 ZINC000037482029 181340339 /nfs/dbraw/zinc/34/03/39/181340339.db2.gz JZMQSSNBWRYTJB-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO CC[C@@H](C)[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000309996824 491159656 /nfs/dbraw/zinc/15/96/56/491159656.db2.gz CIGHJFSJRBIPDA-NEPJUHHUSA-N 1 0 228.380 1.467 10 0 BDAERO [NH3+][C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000070626508 361666928 /nfs/dbraw/zinc/66/69/28/361666928.db2.gz URZOYUGHEWNMFZ-RXMQYKEDSA-N 1 0 205.183 1.175 10 0 BDAERO C[C@@H]1CC[C@]([NH2+]C2CCCC2)(C(N)=O)C1 ZINC000070644718 361693333 /nfs/dbraw/zinc/69/33/33/361693333.db2.gz IWAHXFQAAMPZOR-BXKDBHETSA-N 1 0 210.321 1.563 10 0 BDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1noc(C2CC2)n1 ZINC000049337918 181344705 /nfs/dbraw/zinc/34/47/05/181344705.db2.gz MWFSFTDBESIMEO-FGWVZKOKSA-N 1 0 248.330 1.401 10 0 BDAERO COC(OC)[C@@H]1CCNc2[nH+]c(C)cn21 ZINC000234578179 541311450 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/nfs/dbraw/zinc/38/26/02/541382602.db2.gz JTDINKSPWFVDQX-CHWSQXEVSA-N 1 0 240.391 1.875 10 0 BDAERO CCCS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CC ZINC000081940302 541383354 /nfs/dbraw/zinc/38/33/54/541383354.db2.gz FLGZUUGHVBSHHP-MNOVXSKESA-N 1 0 233.377 1.732 10 0 BDAERO CC[C@@H]1C[C@H](CC)[C@H](C(=O)OC)[C@@H](C)[NH2+]1 ZINC000669385122 541438419 /nfs/dbraw/zinc/43/84/19/541438419.db2.gz ZHWKVBGERQFXSU-LMLFDSFASA-N 1 0 213.321 1.962 10 0 BDAERO [NH3+]CCCCn1cccc(Br)c1=O ZINC000057832522 181379545 /nfs/dbraw/zinc/37/95/45/181379545.db2.gz NPUMSYWKOCPSPX-UHFFFAOYSA-N 1 0 245.120 1.350 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)c1scnc1Cl ZINC000669377053 541436544 /nfs/dbraw/zinc/43/65/44/541436544.db2.gz FKQBYJBIDSIMDX-PHDIDXHHSA-N 1 0 220.725 1.815 10 0 BDAERO [NH3+]CCCN1C(=O)CC2(CCCCC2)C1=O ZINC000051355125 181380079 /nfs/dbraw/zinc/38/00/79/181380079.db2.gz OGROFCGFTYXMSD-UHFFFAOYSA-N 1 0 224.304 1.045 10 0 BDAERO [NH3+]CCCNc1ccc2c(c1)NC(=O)CS2 ZINC000082607535 181383271 /nfs/dbraw/zinc/38/32/71/181383271.db2.gz NKLJBUQAHMAJJX-UHFFFAOYSA-N 1 0 237.328 1.492 10 0 BDAERO [NH3+]CCCOCc1ccc(F)c(F)c1 ZINC000077296961 181384692 /nfs/dbraw/zinc/38/46/92/181384692.db2.gz ZARSRWXWIJCKQT-UHFFFAOYSA-N 1 0 201.216 1.830 10 0 BDAERO [NH3+]CCCOc1cccc(C(=O)NC2CC2)c1 ZINC000020229074 181384987 /nfs/dbraw/zinc/38/49/87/181384987.db2.gz XHPBNEIUSBGKAF-UHFFFAOYSA-N 1 0 234.299 1.306 10 0 BDAERO [NH3+]CCCc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000061844208 181388047 /nfs/dbraw/zinc/38/80/47/181388047.db2.gz MDDUAADLEYBODZ-UHFFFAOYSA-N 1 0 238.241 1.641 10 0 BDAERO [NH3+]CCCc1nncn1-c1ccccc1 ZINC000054526786 181388209 /nfs/dbraw/zinc/38/82/09/181388209.db2.gz YYLOTVCUSYFYOQ-UHFFFAOYSA-N 1 0 202.261 1.159 10 0 BDAERO [NH3+]CCCc1nnc(Cc2ccccc2F)o1 ZINC000019733075 181388623 /nfs/dbraw/zinc/38/86/23/181388623.db2.gz KCIZCQIUNVLLRL-UHFFFAOYSA-N 1 0 235.262 1.691 10 0 BDAERO [NH3+]CCCn1ccc(=O)c2ccccc21 ZINC000043373419 181389201 /nfs/dbraw/zinc/38/92/01/181389201.db2.gz ZVAQJKWXGPRIRK-UHFFFAOYSA-N 1 0 202.257 1.350 10 0 BDAERO [NH3+]CCCn1cc(Cl)cc(Cl)c1=O ZINC000057832347 181389321 /nfs/dbraw/zinc/38/93/21/181389321.db2.gz QXEJNUDBWNVQPY-UHFFFAOYSA-N 1 0 221.087 1.504 10 0 BDAERO [NH3+]CCN(C(=O)c1cccnc1)C1CCCCC1 ZINC000020183564 181390918 /nfs/dbraw/zinc/39/09/18/181390918.db2.gz YPUVSGNBQLWESL-UHFFFAOYSA-N 1 0 247.342 1.815 10 0 BDAERO [NH3+]CC[C@@H](O)c1cc(Br)cs1 ZINC000071546909 181402731 /nfs/dbraw/zinc/40/27/31/181402731.db2.gz GQQPJLOJWHECNX-ZCFIWIBFSA-N 1 0 236.134 1.893 10 0 BDAERO [NH3+]CCNc1cc(Br)ccc1F ZINC000083256471 181396535 /nfs/dbraw/zinc/39/65/35/181396535.db2.gz PUGSIGRMHRQTLK-UHFFFAOYSA-N 1 0 233.084 1.959 10 0 BDAERO [NH3+]CCOCCc1cc(F)ccc1F ZINC000057937789 181399347 /nfs/dbraw/zinc/39/93/47/181399347.db2.gz LAQBCJOYSBDATJ-UHFFFAOYSA-N 1 0 201.216 1.483 10 0 BDAERO [NH3+]CCOC[C@@H]1CCCN(C(F)(F)F)C1 ZINC000095077609 181399472 /nfs/dbraw/zinc/39/94/72/181399472.db2.gz MQGLMJHEGUFZEM-MRVPVSSYSA-N 1 0 226.242 1.194 10 0 BDAERO [NH3+]CCOc1cc(Br)ccc1F ZINC000083256808 181399546 /nfs/dbraw/zinc/39/95/46/181399546.db2.gz NVOQLGVJGQWWCH-UHFFFAOYSA-N 1 0 234.068 1.926 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(Br)s1 ZINC000036163655 181408208 /nfs/dbraw/zinc/40/82/08/181408208.db2.gz ROBAKLCWJGTPMG-YFKPBYRVSA-N 1 0 236.134 1.893 10 0 BDAERO [NH3+]CCc1cnc(Cc2ccccc2)nc1 ZINC000054857417 181412856 /nfs/dbraw/zinc/41/28/56/181412856.db2.gz YPCDBNFMDUWUNT-UHFFFAOYSA-N 1 0 213.284 1.569 10 0 BDAERO [NH3+]CCc1nccc(-c2ccncc2)n1 ZINC000083283448 181414025 /nfs/dbraw/zinc/41/40/25/181414025.db2.gz VSGDBOJZUYBCQB-UHFFFAOYSA-N 1 0 200.245 1.040 10 0 BDAERO [NH3+]CCc1nccnc1-c1cccs1 ZINC000077298843 181414155 /nfs/dbraw/zinc/41/41/55/181414155.db2.gz TYECUWMQWFNSPK-UHFFFAOYSA-N 1 0 205.286 1.706 10 0 BDAERO [NH3+]CCc1nnc(-c2ccc(F)cc2)s1 ZINC000040541847 181414621 /nfs/dbraw/zinc/41/46/21/181414621.db2.gz RWTODMAPIZJMCU-UHFFFAOYSA-N 1 0 223.276 1.845 10 0 BDAERO [NH3+]CCc1nnc(-c2cccc(Cl)c2)o1 ZINC000011585766 181414660 /nfs/dbraw/zinc/41/46/60/181414660.db2.gz ZZNLTFVQWFKWHU-UHFFFAOYSA-N 1 0 223.663 1.891 10 0 BDAERO [NH3+]C[C@@H](Cc1ccco1)C(=O)N1CCCCC1 ZINC000050304975 181418879 /nfs/dbraw/zinc/41/88/79/181418879.db2.gz RXGBPWONEFHRGM-LLVKDONJSA-N 1 0 236.315 1.410 10 0 BDAERO [NH3+]C[C@@H](O)COc1cccc(Br)c1 ZINC000019258688 181421984 /nfs/dbraw/zinc/42/19/84/181421984.db2.gz YGRMRIVHTQPGQE-MRVPVSSYSA-N 1 0 246.104 1.148 10 0 BDAERO CO[C@@H](C)c1nsc(N(C)CCC[NH3+])n1 ZINC000379874034 365333330 /nfs/dbraw/zinc/33/33/30/365333330.db2.gz RVISVIBHSZVLOY-ZETCQYMHSA-N 1 0 230.337 1.031 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)CC2CCC2)C1 ZINC000173045798 365398640 /nfs/dbraw/zinc/39/86/40/365398640.db2.gz UCSBBJIBPVSSRX-LLVKDONJSA-N 1 0 210.321 1.339 10 0 BDAERO CCc1cnc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000576044403 365460935 /nfs/dbraw/zinc/46/09/35/365460935.db2.gz SGBPNIYXXACTFP-DLOVCJGASA-N 1 0 235.331 1.406 10 0 BDAERO CN(C)C(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC000685947508 541496658 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ZINC000209245559 368399040 /nfs/dbraw/zinc/39/90/40/368399040.db2.gz BLLWGNQEBCPHCJ-JQWIXIFHSA-N 1 0 234.274 1.260 10 0 BDAERO O=[N+]([O-])c1ccc([C@@H]2C[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC000034411017 368374565 /nfs/dbraw/zinc/37/45/65/368374565.db2.gz CDWPCUWAPIPTCY-USWWRNFRSA-N 1 0 218.256 1.918 10 0 BDAERO C[NH2+][C@@H](c1cncnc1)[C@@H]1CCSC1 ZINC000161417182 368516189 /nfs/dbraw/zinc/51/61/89/368516189.db2.gz QUQQWTGEIZRXIB-PSASIEDQSA-N 1 0 209.318 1.490 10 0 BDAERO CC(C)([NH3+])Cc1ccc2c(c1)CCS2(=O)=O ZINC000083133770 368744766 /nfs/dbraw/zinc/74/47/66/368744766.db2.gz KQZKBJSFLFCXTI-UHFFFAOYSA-N 1 0 239.340 1.296 10 0 BDAERO COc1cc(N2CC[N@H+](C)[C@@H](C)C2)ccc1N ZINC000111056552 368846257 /nfs/dbraw/zinc/84/62/57/368846257.db2.gz LXWWYPKAGCCBPW-JTQLQIEISA-N 1 0 235.331 1.418 10 0 BDAERO CC[NH2+]CCCNc1nc(C)ns1 ZINC000083648981 368799246 /nfs/dbraw/zinc/79/92/46/368799246.db2.gz YTEHIZYBZGGOKS-UHFFFAOYSA-N 1 0 200.311 1.258 10 0 BDAERO Cc1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)ccn1 ZINC000086114132 368874921 /nfs/dbraw/zinc/87/49/21/368874921.db2.gz ZFTUSRPQDHKNNH-GFCCVEGCSA-N 1 0 219.288 1.471 10 0 BDAERO CC(C)c1noc(C2=C[C@H](C)C[NH2+]C2)n1 ZINC000003796368 368882131 /nfs/dbraw/zinc/88/21/31/368882131.db2.gz DFPILLSJEIXHNK-QMMMGPOBSA-N 1 0 207.277 1.816 10 0 BDAERO C[C@H]1C=C(c2nc(C3CC3)no2)C[NH2+]C1 ZINC000003796371 368882803 /nfs/dbraw/zinc/88/28/03/368882803.db2.gz MGPLOJQFGKPHAX-ZETCQYMHSA-N 1 0 205.261 1.570 10 0 BDAERO COC[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)C(C)C ZINC000086698925 368883624 /nfs/dbraw/zinc/88/36/24/368883624.db2.gz MCAMQIVEUFDELK-NEPJUHHUSA-N 1 0 242.363 1.163 10 0 BDAERO C[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1[NH3+] ZINC000107259375 259535370 /nfs/dbraw/zinc/53/53/70/259535370.db2.gz SRPCZFCRBYSYDY-YPMHNXCESA-N 1 0 248.326 1.992 10 0 BDAERO CCN(Cc1ccncc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091543707 369013630 /nfs/dbraw/zinc/01/36/30/369013630.db2.gz VCGXUYIDNGDULU-QWHCGFSZSA-N 1 0 247.342 1.558 10 0 BDAERO Cc1occc1CN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091549087 369013846 /nfs/dbraw/zinc/01/38/46/369013846.db2.gz NUEFWJKYYJKLAY-JQWIXIFHSA-N 1 0 236.315 1.674 10 0 BDAERO COc1ccc(N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091540645 369014627 /nfs/dbraw/zinc/01/46/27/369014627.db2.gz ATAHKAFWOMYAPU-GHMZBOCLSA-N 1 0 248.326 1.785 10 0 BDAERO [NH3+]C[C@H](O)Cc1cccc(Br)c1 ZINC000041252127 181450275 /nfs/dbraw/zinc/45/02/75/181450275.db2.gz LNSPBZACGBMYHQ-SECBINFHSA-N 1 0 230.105 1.311 10 0 BDAERO [NH3+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000020216682 181451030 /nfs/dbraw/zinc/45/10/30/181451030.db2.gz UJBTVWSRZMUEEX-QMMMGPOBSA-N 1 0 234.068 1.580 10 0 BDAERO [NH3+]C[C@]1(Cc2cscn2)CCCOC1 ZINC000062193365 181470493 /nfs/dbraw/zinc/47/04/93/181470493.db2.gz MSCUEOWWYSRFHR-SNVBAGLBSA-N 1 0 212.318 1.441 10 0 BDAERO [NH3+]Cc1cc2c(c(Br)c1)NC(=O)C2 ZINC000062200835 181475893 /nfs/dbraw/zinc/47/58/93/181475893.db2.gz IXZOUXNUHOFZJE-UHFFFAOYSA-N 1 0 241.088 1.402 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000623766948 369215880 /nfs/dbraw/zinc/21/58/80/369215880.db2.gz NYLOOWGNOKMTIU-GJZGRUSLSA-N 1 0 247.338 1.803 10 0 BDAERO C[C@@H]([NH3+])c1cnn(C)c1Br ZINC000215195366 369303017 /nfs/dbraw/zinc/30/30/17/369303017.db2.gz UWJXHJKLXCOUNE-SCSAIBSYSA-N 1 0 204.071 1.202 10 0 BDAERO C[C@H]1CN(CC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000631843429 369375737 /nfs/dbraw/zinc/37/57/37/369375737.db2.gz NOLFNOZTHJEXBT-NWDGAFQWSA-N 1 0 247.342 1.152 10 0 BDAERO CCC[C@H](C)C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404230095 369424020 /nfs/dbraw/zinc/42/40/20/369424020.db2.gz PREMISMQDCVHHK-XQQFMLRXSA-N 1 0 226.364 1.485 10 0 BDAERO Cc1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1 ZINC000404277642 369425531 /nfs/dbraw/zinc/42/55/31/369425531.db2.gz SPXGCQHBJMTPBB-GJZGRUSLSA-N 1 0 246.354 1.558 10 0 BDAERO [NH3+]Cc1cccc(Br)c1OCCO ZINC000042411315 181487857 /nfs/dbraw/zinc/48/78/57/181487857.db2.gz LKHVBTLQDIQGAA-UHFFFAOYSA-N 1 0 246.104 1.279 10 0 BDAERO O[C@H](c1cncs1)[C@H]1CCCCC[NH2+]1 ZINC000161515816 369583375 /nfs/dbraw/zinc/58/33/75/369583375.db2.gz GGQVTWFRJYXKLP-SCZZXKLOSA-N 1 0 212.318 1.709 10 0 BDAERO C[C@@H]1CN(C(=O)NCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631000637 369599083 /nfs/dbraw/zinc/59/90/83/369599083.db2.gz HPGOZSGBJPZIPB-YPMHNXCESA-N 1 0 247.342 1.423 10 0 BDAERO C[C@@H](CCO)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000308547570 370144699 /nfs/dbraw/zinc/14/46/99/370144699.db2.gz OPCZBHNTVJMYQM-VHSXEESVSA-N 1 0 203.326 1.002 10 0 BDAERO CC[NH+](CC)CCCNC(=O)N[C@H]1C[C@H]1C ZINC000076050350 370206734 /nfs/dbraw/zinc/20/67/34/370206734.db2.gz UCEWSEQJWGJFOE-MNOVXSKESA-N 1 0 227.352 1.426 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(CCO)C2)C1 ZINC000309783710 370261117 /nfs/dbraw/zinc/26/11/17/370261117.db2.gz NMHTZZIMLKNFGN-UPJWGTAASA-N 1 0 226.364 1.221 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCC[C@H]2CC2(F)F)C1 ZINC000621671283 370421694 /nfs/dbraw/zinc/42/16/94/370421694.db2.gz NAHATTUYUMBQPS-LPEHRKFASA-N 1 0 246.301 1.665 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC[C@H]1CC1(F)F ZINC000621671578 370423515 /nfs/dbraw/zinc/42/35/15/370423515.db2.gz XVSFXANIFFGDMS-JGVFFNPUSA-N 1 0 220.263 1.275 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000113271727 370398077 /nfs/dbraw/zinc/39/80/77/370398077.db2.gz OEKLCPIRPMCOHB-JSGCOSHPSA-N 1 0 249.358 1.453 10 0 BDAERO COc1c(C[NH+]2CCC(C)CC2)c(C)nn1C ZINC000158859367 326344997 /nfs/dbraw/zinc/34/49/97/326344997.db2.gz YYQPTHDIEZVDSP-UHFFFAOYSA-N 1 0 237.347 1.969 10 0 BDAERO c1cc(OCCN2CCOCC2)cc2c1C[NH2+]C2 ZINC000113592254 370438996 /nfs/dbraw/zinc/43/89/96/370438996.db2.gz IQJUZNJDZYTMBU-UHFFFAOYSA-N 1 0 248.326 1.001 10 0 BDAERO Cc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)ccn1 ZINC000621776562 370524084 /nfs/dbraw/zinc/52/40/84/370524084.db2.gz ONLKCGPVGCIBDT-SKDRFNHKSA-N 1 0 205.305 1.169 10 0 BDAERO [NH3+]C1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000070216761 371016294 /nfs/dbraw/zinc/01/62/94/371016294.db2.gz GNDUOPZAICHLEN-UHFFFAOYSA-N 1 0 234.299 1.848 10 0 BDAERO CSC[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000153933993 371066502 /nfs/dbraw/zinc/06/65/02/371066502.db2.gz UUWHMCHCSKUDSA-NXEZZACHSA-N 1 0 245.392 1.083 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000623765241 371086764 /nfs/dbraw/zinc/08/67/64/371086764.db2.gz PNXBZKCTWDAOOP-GRYCIOLGSA-N 1 0 211.305 1.082 10 0 BDAERO [NH3+][C@@H](Cc1cccc(F)c1)c1cnccn1 ZINC000037467158 181554968 /nfs/dbraw/zinc/55/49/68/181554968.db2.gz DYXDILDGXIXKII-NSHDSACASA-N 1 0 217.247 1.858 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000391186803 371276409 /nfs/dbraw/zinc/27/64/09/371276409.db2.gz MNRYTAZLQBPNCK-AWEZNQCLSA-N 1 0 249.358 1.200 10 0 BDAERO [NH3+][C@H]1COC[C@H]1Cc1ccc(Cl)s1 ZINC000076646658 181656365 /nfs/dbraw/zinc/65/63/65/181656365.db2.gz BIDHQDODQIIFMO-SVRRBLITSA-N 1 0 217.721 1.918 10 0 BDAERO [NH3+][C@H]1CC(=O)N(c2cccc(F)c2F)C1 ZINC000040231137 181638698 /nfs/dbraw/zinc/63/86/98/181638698.db2.gz MAAYWTMNACUIJN-LURJTMIESA-N 1 0 212.199 1.029 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000055086383 181644987 /nfs/dbraw/zinc/64/49/87/181644987.db2.gz OFJCKWHUOFSQSQ-MNOVXSKESA-N 1 0 210.321 1.516 10 0 BDAERO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCOC[C@H]1O ZINC000624235474 371423115 /nfs/dbraw/zinc/42/31/15/371423115.db2.gz KRFVYNYCSMBXIW-QLFBSQMISA-N 1 0 249.354 1.747 10 0 BDAERO CC1(C)CC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000624237747 371426447 /nfs/dbraw/zinc/42/64/47/371426447.db2.gz CYHXOPRUKUPYKC-DCAQKATOSA-N 1 0 213.321 1.305 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@H]1C[C@H]1C ZINC000624240052 371428419 /nfs/dbraw/zinc/42/84/19/371428419.db2.gz ZYLBTQBQWPYGJU-IIRVCBMXSA-N 1 0 213.321 1.160 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@H]1C[C@@H]1C ZINC000624240054 371428992 /nfs/dbraw/zinc/42/89/92/371428992.db2.gz ZYLBTQBQWPYGJU-NGDQXYMTSA-N 1 0 213.321 1.160 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccsc1 ZINC000624239961 371429135 /nfs/dbraw/zinc/42/91/35/371429135.db2.gz XZVHUHOFOXPPPG-TUAOUCFPSA-N 1 0 241.356 1.939 10 0 BDAERO Nc1cccnc1SC[C@H]1CC[NH2+]C1 ZINC000051891159 181759209 /nfs/dbraw/zinc/75/92/09/181759209.db2.gz NOGIUKAQXVTIHJ-QMMMGPOBSA-N 1 0 209.318 1.365 10 0 BDAERO C[NH2+]CCc1cncc(Br)c1 ZINC000161760885 371560085 /nfs/dbraw/zinc/56/00/85/371560085.db2.gz MEUVYFAFASOLNY-UHFFFAOYSA-N 1 0 215.094 1.606 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC000225724865 371570064 /nfs/dbraw/zinc/57/00/64/371570064.db2.gz KRJQDHWXSYTXHA-HRDYMLBCSA-N 1 0 200.351 1.781 10 0 BDAERO CC(C)[C@@H]1C[NH+]=C(N[C@@H]2CCOC2)S1 ZINC000230009806 371632435 /nfs/dbraw/zinc/63/24/35/371632435.db2.gz VXFFQJWKFALWLM-BDAKNGLRSA-N 1 0 214.334 1.492 10 0 BDAERO Nc1cc[nH+]cc1C(=O)C[C@@H]1CCOC1 ZINC000162250828 371638677 /nfs/dbraw/zinc/63/86/77/371638677.db2.gz GQTWFDSWCXVNCA-QMMMGPOBSA-N 1 0 206.245 1.273 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCC[C@@H]1C ZINC000226656197 371717629 /nfs/dbraw/zinc/71/76/29/371717629.db2.gz FCCPPBZYRYRQAQ-IVZWLZJFSA-N 1 0 200.351 1.174 10 0 BDAERO [NH3+][C@@H]1C=C[C@H](C(=O)Cc2ccccn2)C1 ZINC000226566710 371698691 /nfs/dbraw/zinc/69/86/91/371698691.db2.gz BUCAYYPKTAWQTO-VHSXEESVSA-N 1 0 202.257 1.097 10 0 BDAERO Nc1nc2c(s1)CC[C@@H]1[NH2+]CCC[C@@H]21 ZINC000005134778 181791129 /nfs/dbraw/zinc/79/11/29/181791129.db2.gz BAHUCMQZRKBOSK-RQJHMYQMSA-N 1 0 209.318 1.507 10 0 BDAERO C[C@H]1C[NH2+]C[C@@]2(C1)NC(C)(C)CS2 ZINC000401697737 371800627 /nfs/dbraw/zinc/80/06/27/371800627.db2.gz MAWRYOGPOBWTBI-SCZZXKLOSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@@H]1C[NH2+]C[C@](F)(c2ccsn2)C1 ZINC000401826276 371822273 /nfs/dbraw/zinc/82/22/73/371822273.db2.gz DISFPDMHANBSQG-CBAPKCEASA-N 1 0 200.282 1.937 10 0 BDAERO CCO[C@@H]1C[C@H]1C(=O)NCC([NH3+])(CC)CC ZINC000178278644 134305562 /nfs/dbraw/zinc/30/55/62/134305562.db2.gz MURMDVMSYBXPCT-NXEZZACHSA-N 1 0 228.336 1.045 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1OCc1nccs1 ZINC000230197469 371869919 /nfs/dbraw/zinc/86/99/19/371869919.db2.gz NHEDICVZNCEXKK-BDAKNGLRSA-N 1 0 212.318 1.658 10 0 BDAERO 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XAHPEDPAGVCFHM-GHMZBOCLSA-N 1 0 213.321 1.185 10 0 BDAERO OCC1([NH2+]Cc2ccc(O)cc2)CCCC1 ZINC000053044330 183039017 /nfs/dbraw/zinc/03/90/17/183039017.db2.gz NGZJFMQOQXGNKF-UHFFFAOYSA-N 1 0 221.300 1.787 10 0 BDAERO OCC1(Nc2ccccc2Cl)CC[NH2+]CC1 ZINC000040695500 183039423 /nfs/dbraw/zinc/03/94/23/183039423.db2.gz LSTQFFPEDLVCCA-UHFFFAOYSA-N 1 0 240.734 1.866 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000120291474 183063890 /nfs/dbraw/zinc/06/38/90/183063890.db2.gz SRCCCXGYSHUDSI-CYBMUJFWSA-N 1 0 227.348 1.650 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000052762481 183064764 /nfs/dbraw/zinc/06/47/64/183064764.db2.gz CUIYZYZLPHKAQW-CQSZACIVSA-N 1 0 234.343 1.861 10 0 BDAERO OCCN(CCC[NH+]1CCCC1)CC(F)F ZINC000194854505 183066956 /nfs/dbraw/zinc/06/69/56/183066956.db2.gz NOTDDSMAGQCGNU-UHFFFAOYSA-N 1 0 236.306 1.032 10 0 BDAERO OCC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095078840 183091189 /nfs/dbraw/zinc/09/11/89/183091189.db2.gz ZHYWWSMQDHZFJQ-LSDHHAIUSA-N 1 0 249.354 1.784 10 0 BDAERO OCC[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000353724301 183094924 /nfs/dbraw/zinc/09/49/24/183094924.db2.gz VPLIMPMSTGTDRJ-NSHDSACASA-N 1 0 245.326 1.767 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000164264310 183116575 /nfs/dbraw/zinc/11/65/75/183116575.db2.gz AMDDSCNMPHCSLE-STQMWFEESA-N 1 0 220.316 1.722 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000353724299 183098878 /nfs/dbraw/zinc/09/88/78/183098878.db2.gz VPLIMPMSTGTDRJ-LLVKDONJSA-N 1 0 245.326 1.767 10 0 BDAERO OC[C@@H](CC1(CO)CC[NH2+]CC1)c1ccccc1 ZINC000095933430 183104235 /nfs/dbraw/zinc/10/42/35/183104235.db2.gz XZHLZUXWGDZXQY-CQSZACIVSA-N 1 0 249.354 1.515 10 0 BDAERO OC[C@@H]1[NH2+]CCc2cc(F)c(Cl)cc21 ZINC000075661363 183131171 /nfs/dbraw/zinc/13/11/71/183131171.db2.gz WJMNJXYSVLZFMJ-JTQLQIEISA-N 1 0 215.655 1.658 10 0 BDAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000179182053 183156075 /nfs/dbraw/zinc/15/60/75/183156075.db2.gz AOXFTNSWQMIPAD-NEPJUHHUSA-N 1 0 241.718 1.268 10 0 BDAERO OC[C@H]1C[C@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000102132638 183156358 /nfs/dbraw/zinc/15/63/58/183156358.db2.gz HJLGUUVMFQJKHJ-QWRGUYRKSA-N 1 0 242.322 1.907 10 0 BDAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCCc1ccccc1 ZINC000179170571 183157019 /nfs/dbraw/zinc/15/70/19/183157019.db2.gz ZJOIQRGLTIAQFN-KGLIPLIRSA-N 1 0 235.327 1.047 10 0 BDAERO OC[C@]1([NH2+]C2CCCC2)CCSC1 ZINC000038122650 183159249 /nfs/dbraw/zinc/15/92/49/183159249.db2.gz XVYMZPSLPODCJC-SNVBAGLBSA-N 1 0 201.335 1.387 10 0 BDAERO CCCN(C(=O)C[NH3+])c1ccc(OCC)cc1 ZINC000076619307 169042509 /nfs/dbraw/zinc/04/25/09/169042509.db2.gz LVTVCTSPAPTUEC-UHFFFAOYSA-N 1 0 236.315 1.787 10 0 BDAERO CCCN(C(=O)NC(C)C)[C@@H]1CCC[NH2+]C1 ZINC000037470278 169044255 /nfs/dbraw/zinc/04/42/55/169044255.db2.gz JYXMQTLCTHDBAH-LLVKDONJSA-N 1 0 227.352 1.568 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000071533048 183177521 /nfs/dbraw/zinc/17/75/21/183177521.db2.gz PCPQQSUWQXRQSZ-LLVKDONJSA-N 1 0 227.254 1.620 10 0 BDAERO OCc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC000043501588 183168185 /nfs/dbraw/zinc/16/81/85/183168185.db2.gz IFKVVULJNYLXNI-LBPRGKRZSA-N 1 0 207.273 1.310 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000054771200 183196574 /nfs/dbraw/zinc/19/65/74/183196574.db2.gz RHIBDUFVKIOUKY-DTWKUNHWSA-N 1 0 212.318 1.536 10 0 BDAERO O[C@@H]1CC[NH2+][C@@H]1c1ccc(Br)cc1 ZINC000096987594 183200101 /nfs/dbraw/zinc/20/01/01/183200101.db2.gz OZIKCIQMGZHCET-NXEZZACHSA-N 1 0 242.116 1.844 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@@H]1Cc1ccccc1F ZINC000071511535 183201040 /nfs/dbraw/zinc/20/10/40/183201040.db2.gz LANPFCNCHPJVHI-CMPLNLGQSA-N 1 0 209.264 1.339 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000011630798 183185865 /nfs/dbraw/zinc/18/58/65/183185865.db2.gz LKPSSJHDSMHEOF-CQSZACIVSA-N 1 0 249.310 1.491 10 0 BDAERO O[C@@H]1CCC2(C[C@H]1[NH+]1CCCCC1)OCCO2 ZINC000044119775 183187029 /nfs/dbraw/zinc/18/70/29/183187029.db2.gz FXYIXQRQOKKPPC-VXGBXAGGSA-N 1 0 241.331 1.129 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cocn1 ZINC000192317572 183187780 /nfs/dbraw/zinc/18/77/80/183187780.db2.gz MOSSUEZUJBSRHV-MWLCHTKSSA-N 1 0 210.277 1.315 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000049575099 183190412 /nfs/dbraw/zinc/19/04/12/183190412.db2.gz DGAXCJOMFRZPEO-CHWSQXEVSA-N 1 0 226.364 1.365 10 0 BDAERO CCC[N@H+](C)C1(CN)CCSCC1 ZINC000042335016 169065808 /nfs/dbraw/zinc/06/58/08/169065808.db2.gz XAADKSYHXRRQPG-UHFFFAOYSA-N 1 0 202.367 1.553 10 0 BDAERO O[C@@H]1CCC[NH2+][C@H]1[C@@H]1CCCSC1 ZINC000082381950 183194240 /nfs/dbraw/zinc/19/42/40/183194240.db2.gz VOVGRCQRIKFRRP-BBBLOLIVSA-N 1 0 201.335 1.243 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000054771199 183195273 /nfs/dbraw/zinc/19/52/73/183195273.db2.gz RHIBDUFVKIOUKY-RKDXNWHRSA-N 1 0 212.318 1.536 10 0 BDAERO O[C@H](CC[NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000049827546 183219321 /nfs/dbraw/zinc/21/93/21/183219321.db2.gz NPASHXWIRBSVQW-ZIAGYGMSSA-N 1 0 235.327 1.879 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000305464551 183231092 /nfs/dbraw/zinc/23/10/92/183231092.db2.gz WNGMGCLHOOMJIJ-QWRGUYRKSA-N 1 0 248.317 1.173 10 0 BDAERO O[C@H](C[NH2+]C1CC1)Cc1ccccc1F ZINC000071511572 183223033 /nfs/dbraw/zinc/22/30/33/183223033.db2.gz WGQABQJCNFPDFM-NSHDSACASA-N 1 0 209.264 1.481 10 0 BDAERO O[C@H](C[NH2+]C[C@H]1CCOC1)c1cccc(F)c1 ZINC000038094597 183224451 /nfs/dbraw/zinc/22/44/51/183224451.db2.gz ROSXCECWCHIJIK-ZWNOBZJWSA-N 1 0 239.290 1.485 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000037894917 183231350 /nfs/dbraw/zinc/23/13/50/183231350.db2.gz VFWSZNIUDCMVLH-KBPBESRZSA-N 1 0 234.343 1.907 10 0 BDAERO O[C@H](c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000013266085 183228332 /nfs/dbraw/zinc/22/83/32/183228332.db2.gz AVPGEEKLECYXEB-CMPLNLGQSA-N 1 0 209.264 1.859 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000037894790 183231598 /nfs/dbraw/zinc/23/15/98/183231598.db2.gz JGYQTTVMRWPTOV-KBPBESRZSA-N 1 0 234.343 1.907 10 0 BDAERO O[C@@H]1CC(CC[NH+]2CCCCC2)=CC[C@@H]1O ZINC000039096006 183230301 /nfs/dbraw/zinc/23/03/01/183230301.db2.gz RKFOWXUGAHAOMP-QWHCGFSZSA-N 1 0 225.332 1.304 10 0 BDAERO CCC[N@H+](CC(=O)NC)[C@H](C)c1ccc(N)cc1 ZINC000042403617 169096498 /nfs/dbraw/zinc/09/64/98/169096498.db2.gz AWVNVMGCPCFUOQ-LLVKDONJSA-N 1 0 249.358 1.788 10 0 BDAERO O[C@@H]1c2ccccc2C[C@H]1[NH+]1CCCC1 ZINC000044115336 183214615 /nfs/dbraw/zinc/21/46/15/183214615.db2.gz ISMATWVWTRGZDQ-CHWSQXEVSA-N 1 0 203.285 1.741 10 0 BDAERO O[C@H]1CC[NH2+][C@H](Cc2ccc(Cl)cc2)C1 ZINC000067175840 183241071 /nfs/dbraw/zinc/24/10/71/183241071.db2.gz YJFDTCMKBVEWIM-NEPJUHHUSA-N 1 0 225.719 1.995 10 0 BDAERO CCCN(CC)CC[NH2+]CC1CCOCC1 ZINC000119040379 169123609 /nfs/dbraw/zinc/12/36/09/169123609.db2.gz CUSXHXHJCKYZQP-UHFFFAOYSA-N 1 0 228.380 1.735 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccncc1 ZINC000082991800 183232914 /nfs/dbraw/zinc/23/29/14/183232914.db2.gz PMASIUCZKNGNRX-STQMWFEESA-N 1 0 220.316 1.722 10 0 BDAERO Oc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000051990035 183270169 /nfs/dbraw/zinc/27/01/69/183270169.db2.gz GXIRDUNIGZVAQR-OLZOCXBDSA-N 1 0 221.300 1.785 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038095710 183281152 /nfs/dbraw/zinc/28/11/52/183281152.db2.gz LVRKDTLIVKMEAB-AAEUAGOBSA-N 1 0 249.310 1.984 10 0 BDAERO Oc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC000040543294 183285834 /nfs/dbraw/zinc/28/58/34/183285834.db2.gz IKASKDHLBXPDRW-UHFFFAOYSA-N 1 0 217.272 1.736 10 0 BDAERO CCCN(CC[NH3+])C(=O)c1ccc(C)nc1C ZINC000055329961 169157369 /nfs/dbraw/zinc/15/73/69/169157369.db2.gz MJUWXIUDWOEQHC-UHFFFAOYSA-N 1 0 235.331 1.509 10 0 BDAERO S=C1Nc2ccccc2CN1C1CC[NH2+]CC1 ZINC000095078932 183313969 /nfs/dbraw/zinc/31/39/69/183313969.db2.gz XKYSPVYBXOQNOW-UHFFFAOYSA-N 1 0 247.367 1.951 10 0 BDAERO CCCN1C(=O)C[C@H]([NH2+][C@H](CC)C(C)C)C1=O ZINC000042587175 169184526 /nfs/dbraw/zinc/18/45/26/169184526.db2.gz BRPCQAKMSFYKLB-MNOVXSKESA-N 1 0 240.347 1.548 10 0 BDAERO CCCN1C(=O)C[C@@H]([NH2+][C@H]2CCC[C@@H]2C)C1=O ZINC000071207051 169184583 /nfs/dbraw/zinc/18/45/83/169184583.db2.gz CVXKPLOESMJXBF-GARJFASQSA-N 1 0 238.331 1.302 10 0 BDAERO c1c[nH]c(C[NH2+]C[C@@H]2CC23CCOCC3)n1 ZINC000309313247 183324493 /nfs/dbraw/zinc/32/44/93/183324493.db2.gz CKRLQFDRMJLBKW-JTQLQIEISA-N 1 0 221.304 1.316 10 0 BDAERO c1c[nH]c(C[NH2+]CCCn2ccnc2)c1 ZINC000048408718 183325150 /nfs/dbraw/zinc/32/51/50/183325150.db2.gz BILISPHQTMOECG-UHFFFAOYSA-N 1 0 204.277 1.391 10 0 BDAERO c1c[nH]c([C@@H](C2CC2)N2CC[NH2+]CC2)c1 ZINC000076583480 183326920 /nfs/dbraw/zinc/32/69/20/183326920.db2.gz MXHDLMNKZJUUOA-GFCCVEGCSA-N 1 0 205.305 1.371 10 0 BDAERO CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105884008 169195343 /nfs/dbraw/zinc/19/53/43/169195343.db2.gz JNNUQLRAYSMPSA-LLVKDONJSA-N 1 0 208.309 1.400 10 0 BDAERO CCCNC(=O)C[NH2+]Cc1cccn1CC ZINC000085608815 169227148 /nfs/dbraw/zinc/22/71/48/169227148.db2.gz FYJZVONKJQRWEK-UHFFFAOYSA-N 1 0 223.320 1.124 10 0 BDAERO c1cc(C[NH2+]CCN2CCSCC2)c[nH]1 ZINC000165670919 183349519 /nfs/dbraw/zinc/34/95/19/183349519.db2.gz XBLQVVQTCFSXOY-UHFFFAOYSA-N 1 0 225.361 1.153 10 0 BDAERO c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)ccn1 ZINC000087689726 183354061 /nfs/dbraw/zinc/35/40/61/183354061.db2.gz SWWDSYZISQBEDK-WOPDTQHZSA-N 1 0 204.273 1.491 10 0 BDAERO c1cc(N2CCCC2)nc(N[C@H]2CCC[NH2+]C2)n1 ZINC000045948395 183355837 /nfs/dbraw/zinc/35/58/37/183355837.db2.gz SKQMYQHKYHZMTC-NSHDSACASA-N 1 0 247.346 1.241 10 0 BDAERO CCCNC(=O)CN(C)c1ccccc1C[NH3+] ZINC000044384542 169219989 /nfs/dbraw/zinc/21/99/89/169219989.db2.gz KQKYHPNSRKCOEV-UHFFFAOYSA-N 1 0 235.331 1.108 10 0 BDAERO c1cc2nc(C[C@H]3CCC[NH2+]3)nc-2c[nH]1 ZINC000070801499 183363150 /nfs/dbraw/zinc/36/31/50/183363150.db2.gz DPCLOGGCGGPKRN-MRVPVSSYSA-N 1 0 202.261 1.252 10 0 BDAERO CCC[NH2+]CC(=O)c1ccc2c(c1)OCCO2 ZINC000041612660 169255158 /nfs/dbraw/zinc/25/51/58/169255158.db2.gz LQBJBTBGRPGDLT-UHFFFAOYSA-N 1 0 235.283 1.640 10 0 BDAERO CCC[NH2+]CC1CCN(Cc2ncccn2)CC1 ZINC000054460408 169256892 /nfs/dbraw/zinc/25/68/92/169256892.db2.gz DTLIXWBCWNONMH-UHFFFAOYSA-N 1 0 248.374 1.688 10 0 BDAERO c1cc2c(cc1C[C@@H]1CCC[NH2+]1)OCCO2 ZINC000011630864 183368911 /nfs/dbraw/zinc/36/89/11/183368911.db2.gz IQMSNYOBCGAHQJ-NSHDSACASA-N 1 0 219.284 1.752 10 0 BDAERO CCC[NH2+]CCOCc1ccccc1C(N)=O ZINC000051844832 169260628 /nfs/dbraw/zinc/26/06/28/169260628.db2.gz JZIZYKDMVJCUEU-UHFFFAOYSA-N 1 0 236.315 1.302 10 0 BDAERO c1cc2c(cc1C[C@@H]1CC[NH2+]C1)OCCO2 ZINC000070627874 183369784 /nfs/dbraw/zinc/36/97/84/183369784.db2.gz RAXLUFFYSJTLKJ-NSHDSACASA-N 1 0 219.284 1.610 10 0 BDAERO CCC[NH2+]CCc1ccc2c(c1)OCO2 ZINC000038339149 169261461 /nfs/dbraw/zinc/26/14/61/169261461.db2.gz ZMPURCOTDDRKJT-UHFFFAOYSA-N 1 0 207.273 1.957 10 0 BDAERO c1cc([C@@H]2C[NH2+]CCO2)cc2c1OCC2 ZINC000082303996 183370550 /nfs/dbraw/zinc/37/05/50/183370550.db2.gz MYPVQXCWUCGSCL-LBPRGKRZSA-N 1 0 205.257 1.282 10 0 BDAERO CCC[NH2+]C[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000052574700 169262323 /nfs/dbraw/zinc/26/23/23/169262323.db2.gz USCCDTAMICAWQH-LLVKDONJSA-N 1 0 245.330 1.901 10 0 BDAERO CCCNC(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037916279 169234387 /nfs/dbraw/zinc/23/43/87/169234387.db2.gz MJGTXKDNRVENAQ-GFCCVEGCSA-N 1 0 239.363 1.570 10 0 BDAERO CCCNC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916206 169234900 /nfs/dbraw/zinc/23/49/00/169234900.db2.gz RVKOTMIERFKABT-VXGBXAGGSA-N 1 0 239.363 1.570 10 0 BDAERO CCCNC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051359107 169235456 /nfs/dbraw/zinc/23/54/56/169235456.db2.gz IVFOCHDDGFIXPB-MNOVXSKESA-N 1 0 225.336 1.322 10 0 BDAERO CCCNC(=O)[C@@H](C)NC(=[NH2+])c1ccccc1 ZINC000062993865 169241981 /nfs/dbraw/zinc/24/19/81/169241981.db2.gz PQQZOXLEZZMQLW-SNVBAGLBSA-N 1 0 233.315 1.516 10 0 BDAERO CCCNC(=O)[C@@H](C)Oc1cccc(C[NH3+])c1 ZINC000020386956 169242736 /nfs/dbraw/zinc/24/27/36/169242736.db2.gz ZHXRAAFCNLNQJW-SNVBAGLBSA-N 1 0 236.315 1.439 10 0 BDAERO CCCNC(=O)[C@@H](C[NH3+])Cc1ccccc1CC ZINC000052200785 169243655 /nfs/dbraw/zinc/24/36/55/169243655.db2.gz NJPXWNPRBMWZAF-CQSZACIVSA-N 1 0 248.370 1.893 10 0 BDAERO CCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106425466 169243829 /nfs/dbraw/zinc/24/38/29/169243829.db2.gz ARWCJZWXEKIBBX-CYBMUJFWSA-N 1 0 234.343 1.686 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccccc1C ZINC000076616347 169244099 /nfs/dbraw/zinc/24/40/99/169244099.db2.gz ZQSYQGDARTZSAN-ZDUSSCGKSA-N 1 0 234.343 1.954 10 0 BDAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)CCC ZINC000034937648 169246200 /nfs/dbraw/zinc/24/62/00/169246200.db2.gz OMXNINMWYHSOBG-UWVGGRQHSA-N 1 0 200.326 1.679 10 0 BDAERO CCC[NH2+]C[C@@H](O)c1cc(OC)ccc1OC ZINC000033468570 169262708 /nfs/dbraw/zinc/26/27/08/169262708.db2.gz BBYHXRQVSYVWLV-GFCCVEGCSA-N 1 0 239.315 1.737 10 0 BDAERO CCC[NH2+][C@H](C)CN(C)Cc1ccncc1 ZINC000043894194 169286258 /nfs/dbraw/zinc/28/62/58/169286258.db2.gz GDZLNSWDARHQAY-GFCCVEGCSA-N 1 0 221.348 1.902 10 0 BDAERO c1ccc(C2CC([NH2+]C3COC3)C2)cc1 ZINC000087194755 183389400 /nfs/dbraw/zinc/38/94/00/183389400.db2.gz PIBZUZJFKZVPCW-UHFFFAOYSA-N 1 0 203.285 1.921 10 0 BDAERO c1nnc(C2(c3ccccc3)CC[NH2+]CC2)[nH]1 ZINC000042326681 183389553 /nfs/dbraw/zinc/38/95/53/183389553.db2.gz KPKNAMNCJPWBKD-UHFFFAOYSA-N 1 0 228.299 1.474 10 0 BDAERO CCC[NH2+]C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000032104644 169263301 /nfs/dbraw/zinc/26/33/01/169263301.db2.gz OETWIFKAXWHDGZ-AWEZNQCLSA-N 1 0 249.354 1.915 10 0 BDAERO CCC[NH2+]C[C@H]1CNc2ccccc2O1 ZINC000040398006 169264579 /nfs/dbraw/zinc/26/45/79/169264579.db2.gz FHPXDQIYMSEJEN-JTQLQIEISA-N 1 0 206.289 1.859 10 0 BDAERO c1ccc(CCc2ncc3c(n2)CC[NH2+]C3)cc1 ZINC000071335229 183395325 /nfs/dbraw/zinc/39/53/25/183395325.db2.gz VXTPYALKWVPQJI-UHFFFAOYSA-N 1 0 239.322 1.908 10 0 BDAERO CCC[NH2+]Cc1nccn1CC(=O)OC(C)C ZINC000051005126 169268973 /nfs/dbraw/zinc/26/89/73/169268973.db2.gz WMPUVUZBPITYAU-UHFFFAOYSA-N 1 0 239.319 1.334 10 0 BDAERO c1ccc(C[NH+]2C[C@H]3COC[C@@H]3C2)cc1 ZINC000114495782 183403878 /nfs/dbraw/zinc/40/38/78/183403878.db2.gz CVRHDLHYOBFXGB-STQMWFEESA-N 1 0 203.285 1.765 10 0 BDAERO CCCN[C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000050270538 169279271 /nfs/dbraw/zinc/27/92/71/169279271.db2.gz RWEKOQQCEASBRZ-AWEZNQCLSA-N 1 0 244.342 1.872 10 0 BDAERO c1ccc(COCC[NH2+]C[C@H]2CCOC2)cc1 ZINC000053543694 183407650 /nfs/dbraw/zinc/40/76/50/183407650.db2.gz QRAQEFXEEGYIJL-CQSZACIVSA-N 1 0 235.327 1.829 10 0 BDAERO CCCOCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068529337 169307214 /nfs/dbraw/zinc/30/72/14/169307214.db2.gz RRHIAYAFYJSWBR-GFCCVEGCSA-N 1 0 244.379 1.506 10 0 BDAERO CCCOCCOc1ccc(C[NH2+]CC)cn1 ZINC000104233433 169310118 /nfs/dbraw/zinc/31/01/18/169310118.db2.gz ZHMZYXMBCZJRPB-UHFFFAOYSA-N 1 0 238.331 1.997 10 0 BDAERO CCC[NH2+][C@H]1COc2cccc(C(N)=O)c2C1 ZINC000013809332 169292221 /nfs/dbraw/zinc/29/22/21/169292221.db2.gz KARBJGIUTPWBET-SECBINFHSA-N 1 0 234.299 1.089 10 0 BDAERO CCC[NH2+][C@](C)(CCCOC1CCC1)C(N)=O ZINC000050521666 169293519 /nfs/dbraw/zinc/29/35/19/169293519.db2.gz MZJIGMRNCIFPNC-CYBMUJFWSA-N 1 0 242.363 1.579 10 0 BDAERO c1nc2ccccc2n1CC[NH2+]C[C@@H]1CCOC1 ZINC000052345245 183456122 /nfs/dbraw/zinc/45/61/22/183456122.db2.gz KGEXJLRKLLLQTC-LBPRGKRZSA-N 1 0 245.326 1.662 10 0 BDAERO CCCOc1ccc([C@@H](O)[C@@H](C)[NH3+])cc1 ZINC000052919385 169321253 /nfs/dbraw/zinc/32/12/53/169321253.db2.gz LYPNBFCLXLXQAJ-SKDRFNHKSA-N 1 0 209.289 1.856 10 0 BDAERO CCCOc1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000033966939 169328003 /nfs/dbraw/zinc/32/80/03/169328003.db2.gz OHWQUEIYHPZQPN-TXEJJXNPSA-N 1 0 247.342 1.526 10 0 BDAERO CCCOc1ccccc1[C@H](O)C[NH2+]C ZINC000032012253 169328241 /nfs/dbraw/zinc/32/82/41/169328241.db2.gz URDNMBYUBOPROU-LLVKDONJSA-N 1 0 209.289 1.728 10 0 BDAERO CCCS(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000076981362 169329535 /nfs/dbraw/zinc/32/95/35/169329535.db2.gz ZWCQLUQXFSRGGU-UHFFFAOYSA-N 1 0 227.329 1.470 10 0 BDAERO CCC[C@@H](C(=O)NCC(C)(C)OC)[NH+](C)C ZINC000121311036 169344477 /nfs/dbraw/zinc/34/44/77/169344477.db2.gz NJAIOCCBPXKXTH-JTQLQIEISA-N 1 0 230.352 1.258 10 0 BDAERO c1nc2cccnc2n1C1CC[NH2+]CC1 ZINC000008608542 183486120 /nfs/dbraw/zinc/48/61/20/183486120.db2.gz OXMDBWQRWYRMRZ-UHFFFAOYSA-N 1 0 202.261 1.356 10 0 BDAERO CCC[C@@H](C)C(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000037470127 169347650 /nfs/dbraw/zinc/34/76/50/169347650.db2.gz UGWSOZZEKNKTTF-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO c1cncc(CSCCN2CC[NH2+]CC2)c1 ZINC000058827225 183495708 /nfs/dbraw/zinc/49/57/08/183495708.db2.gz MYXHJAOXLQYOIS-UHFFFAOYSA-N 1 0 237.372 1.220 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(-c2cccnc2)n1 ZINC000041052558 169394533 /nfs/dbraw/zinc/39/45/33/169394533.db2.gz SGXUOYJWFPOVEH-SECBINFHSA-N 1 0 218.260 1.932 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(-c2ccccn2)n1 ZINC000041052522 169394921 /nfs/dbraw/zinc/39/49/21/169394921.db2.gz TUNGGSSHSAHYAQ-MRVPVSSYSA-N 1 0 218.260 1.932 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CCC1 ZINC000180602414 134330324 /nfs/dbraw/zinc/33/03/24/134330324.db2.gz YCAZNNWYHVNQDO-MWLCHTKSSA-N 1 0 220.320 1.371 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H](C2C[NH2+]C2)C1 ZINC000091304856 166651794 /nfs/dbraw/zinc/65/17/94/166651794.db2.gz VJSCBCZNNHYGQH-SECBINFHSA-N 1 0 226.320 1.463 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@@H]1[NH2+]C2 ZINC000071373455 166667753 /nfs/dbraw/zinc/66/77/53/166667753.db2.gz LKMTYLUKCLIYBU-XHNCKOQMSA-N 1 0 212.293 1.262 10 0 BDAERO CCC[C@]1(C(=O)O[C@H]2CCOC2)CCC[NH2+]C1 ZINC000104106591 169555430 /nfs/dbraw/zinc/55/54/30/169555430.db2.gz DJQVYQQCQXYTBB-AAEUAGOBSA-N 1 0 241.331 1.488 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCSC1 ZINC000336702150 166700481 /nfs/dbraw/zinc/70/04/81/166700481.db2.gz YQYUVLVCQIQPLD-UWVGGRQHSA-N 1 0 217.378 1.736 10 0 BDAERO COC(=O)[C@H](C)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000227155258 134376295 /nfs/dbraw/zinc/37/62/95/134376295.db2.gz AHSNPFSNAYXLSC-GMTAPVOTSA-N 1 0 227.304 1.049 10 0 BDAERO CCN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CCSC1 ZINC000409435277 383837076 /nfs/dbraw/zinc/83/70/76/383837076.db2.gz UBIUELBUAJWAAK-VHSXEESVSA-N 1 0 228.361 1.092 10 0 BDAERO CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](CCO)C1 ZINC000227568178 134383168 /nfs/dbraw/zinc/38/31/68/134383168.db2.gz LUWSEECGNCSODF-NWDGAFQWSA-N 1 0 243.347 1.423 10 0 BDAERO CCOc1cncc(NC[C@H]([NH3+])CC)n1 ZINC000070580185 383935767 /nfs/dbraw/zinc/93/57/67/383935767.db2.gz DUXUITNRUYHSCX-MRVPVSSYSA-N 1 0 210.281 1.025 10 0 BDAERO COc1cc(C(N)=[NH2+])nc2ccccc21 ZINC000067173630 383915630 /nfs/dbraw/zinc/91/56/30/383915630.db2.gz SKPWTRZKGHKVGY-UHFFFAOYSA-N 1 0 201.229 1.527 10 0 BDAERO COCc1cnc(C[NH2+][C@@H]2CCO[C@H]2C)s1 ZINC000348189598 383931408 /nfs/dbraw/zinc/93/14/08/383931408.db2.gz ORDWQZMERRHKIG-WCBMZHEXSA-N 1 0 242.344 1.557 10 0 BDAERO CN(CCc1ccccn1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000097092727 383986150 /nfs/dbraw/zinc/98/61/50/383986150.db2.gz PXSBMKIMJGKJEM-NWDGAFQWSA-N 1 0 247.342 1.210 10 0 BDAERO CC1(C)C[N+](=O)[C@@H](c2ccccc2)N1O ZINC000003171653 383999576 /nfs/dbraw/zinc/99/95/76/383999576.db2.gz XHKYXXQKYTUJTK-SNVBAGLBSA-N 1 0 206.245 1.750 10 0 BDAERO Cc1cn2cnc(CC[NH3+])c2c(Cl)n1 ZINC000089195482 383941597 /nfs/dbraw/zinc/94/15/97/383941597.db2.gz NEKRIJJDTCXPKF-UHFFFAOYSA-N 1 0 210.668 1.192 10 0 BDAERO Cc1ncccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000091497135 383971362 /nfs/dbraw/zinc/97/13/62/383971362.db2.gz FJGZDJMQOHERJQ-LLVKDONJSA-N 1 0 233.315 1.718 10 0 BDAERO CCc1ccccc1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643617459 384010435 /nfs/dbraw/zinc/01/04/35/384010435.db2.gz DPPFAUVXMDFUFT-LBPRGKRZSA-N 1 0 248.326 1.424 10 0 BDAERO Cn1ccc2c1nccc2O[C@@H]1CC[NH2+]C1 ZINC000090397864 384044679 /nfs/dbraw/zinc/04/46/79/384044679.db2.gz BPMZMNWLFKLKHY-SECBINFHSA-N 1 0 217.272 1.314 10 0 BDAERO [NH3+]Cc1ccc([C@@H](O)c2ccoc2)s1 ZINC000090397625 384045131 /nfs/dbraw/zinc/04/51/31/384045131.db2.gz YMIVFQHLDCZDPY-JTQLQIEISA-N 1 0 209.270 1.882 10 0 BDAERO N[C@H](C[NH3+])c1ccc(Br)o1 ZINC000035677056 384087617 /nfs/dbraw/zinc/08/76/17/384087617.db2.gz PHQQZCQFDTVJTI-SCSAIBSYSA-N 1 0 205.055 1.001 10 0 BDAERO COC[C@]1(C(=O)N[C@H](C)CC(C)C)CCC[NH2+]1 ZINC000643779813 384059328 /nfs/dbraw/zinc/05/93/28/384059328.db2.gz RCCCOYYLUCPEKW-YPMHNXCESA-N 1 0 242.363 1.306 10 0 BDAERO Cc1csc([C@@]2([NH3+])CCO[C@H](C)C2)n1 ZINC000069894625 384069171 /nfs/dbraw/zinc/06/91/71/384069171.db2.gz WUDUYYBTVRRKAU-PSASIEDQSA-N 1 0 212.318 1.804 10 0 BDAERO CCC[C@H](CCO)[NH2+]C[C@H](O)C(C)(C)C ZINC000634724700 384069199 /nfs/dbraw/zinc/06/91/99/384069199.db2.gz WCINVUXAFVQXEY-MNOVXSKESA-N 1 0 217.353 1.534 10 0 BDAERO O=C(c1ccc(F)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000070083730 384076887 /nfs/dbraw/zinc/07/68/87/384076887.db2.gz XQNVDLWNGGIUOK-LLVKDONJSA-N 1 0 249.289 1.141 10 0 BDAERO Cn1cc(C[C@@H]([NH3+])c2cccs2)cn1 ZINC000050542370 384077834 /nfs/dbraw/zinc/07/78/34/384077834.db2.gz AZLLFDDWTWGNOG-SECBINFHSA-N 1 0 207.302 1.724 10 0 BDAERO C[C@@H](NC1=[NH+]CCS1)[C@@H]1CCCO1 ZINC000035736404 384097375 /nfs/dbraw/zinc/09/73/75/384097375.db2.gz OEYWDEJRXGHIFE-SFYZADRCSA-N 1 0 200.307 1.246 10 0 BDAERO CCCC[NH2+]CC(=O)Nc1c(C)noc1C ZINC000039110818 384106556 /nfs/dbraw/zinc/10/65/56/384106556.db2.gz CTRYYNSDHRORMM-UHFFFAOYSA-N 1 0 225.292 1.620 10 0 BDAERO C[C@@H]1[NH2+]CCCn2c1nnc2C(F)(F)F ZINC000039110198 384106818 /nfs/dbraw/zinc/10/68/18/384106818.db2.gz AYLCVQLRCMPZPD-YFKPBYRVSA-N 1 0 220.198 1.351 10 0 BDAERO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733557 384134158 /nfs/dbraw/zinc/13/41/58/384134158.db2.gz INTVECXUDRCWHR-NXEZZACHSA-N 1 0 225.361 1.793 10 0 BDAERO Cn1c2ccccc2nc1O[C@@H]1CC[NH2+]C1 ZINC000070609161 384124588 /nfs/dbraw/zinc/12/45/88/384124588.db2.gz ONNQQYULIBIOLY-SECBINFHSA-N 1 0 217.272 1.314 10 0 BDAERO CN[C@@H]([NH3+])CCCC(=O)OCc1ccccc1 ZINC000071186632 384154035 /nfs/dbraw/zinc/15/40/35/384154035.db2.gz ZVNBCOZHMBUFBH-GFCCVEGCSA-N 1 0 236.315 1.404 10 0 BDAERO CCn1ccnc1Cn1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000302318257 384140541 /nfs/dbraw/zinc/14/05/41/384140541.db2.gz JGMVBOSVGMQSRU-LBPRGKRZSA-N 1 0 248.334 1.199 10 0 BDAERO Clc1cc(NC2CC[NH2+]CC2)nc(Cl)n1 ZINC000116993330 384159025 /nfs/dbraw/zinc/15/90/25/384159025.db2.gz BHHIDLULAOJWJB-UHFFFAOYSA-N 1 0 247.129 1.947 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@@]1(O)c1cccc(O)c1 ZINC000002525882 384167496 /nfs/dbraw/zinc/16/74/96/384167496.db2.gz MJTYLDGVLFSXDG-WCQYABFASA-N 1 0 221.300 1.729 10 0 in-vitro BDAERO Cc1ccccc1OCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000643590031 384177451 /nfs/dbraw/zinc/17/74/51/384177451.db2.gz ULELHUFKVJRXON-NWDGAFQWSA-N 1 0 248.326 1.322 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080993619 384178581 /nfs/dbraw/zinc/17/85/81/384178581.db2.gz ABWZPFZONFBSEE-WDEREUQCSA-N 1 0 212.337 1.679 10 0 BDAERO c1ccc([C@H]2CC3(CC[NH2+]2)OCCO3)cc1 ZINC000041232426 384182418 /nfs/dbraw/zinc/18/24/18/384182418.db2.gz LFVKIMZWPUTFMF-GFCCVEGCSA-N 1 0 219.284 1.854 10 0 BDAERO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH3+])c1 ZINC000008028869 384191632 /nfs/dbraw/zinc/19/16/32/384191632.db2.gz RUOZNIMJTWSEGD-NSHDSACASA-N 1 0 209.289 1.310 10 0 BDAERO C[NH2+][C@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000041611473 384194750 /nfs/dbraw/zinc/19/47/50/384194750.db2.gz FHGNUKAARRYOMM-SECBINFHSA-N 1 0 203.285 1.966 10 0 BDAERO Cc1cn[nH]c1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000289495446 384195689 /nfs/dbraw/zinc/19/56/89/384195689.db2.gz LIVUYLXBBNCGTG-ZYHUDNBSSA-N 1 0 223.320 1.359 10 0 BDAERO Cc1noc(C)c1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282308369 384231404 /nfs/dbraw/zinc/23/14/04/384231404.db2.gz KFIRDCXBBROESG-LDYMZIIASA-N 1 0 237.303 1.048 10 0 BDAERO COc1c(C[N@H+](C)C2CCC2)c(C)nn1C ZINC000093475851 384241358 /nfs/dbraw/zinc/24/13/58/384241358.db2.gz YSEAXMJWBBWZHQ-UHFFFAOYSA-N 1 0 223.320 1.721 10 0 BDAERO CC[C@](C)(C[NH2+][C@@H]1CCC(=O)N[C@H]1C)OC ZINC000319246816 384224514 /nfs/dbraw/zinc/22/45/14/384224514.db2.gz XOBFJCSDTLSYEE-HOSYDEDBSA-N 1 0 228.336 1.058 10 0 BDAERO CC(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000083037113 384278389 /nfs/dbraw/zinc/27/83/89/384278389.db2.gz LNKFRYLETBQMHR-RYUDHWBXSA-N 1 0 222.263 1.099 10 0 BDAERO C[C@@H](C[NH2+][C@@H](C)c1ccccn1)N1CCOCC1 ZINC000158557885 384244802 /nfs/dbraw/zinc/24/48/02/384244802.db2.gz DVHJYDVMMNODAP-STQMWFEESA-N 1 0 249.358 1.453 10 0 BDAERO CSCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000173675879 384252894 /nfs/dbraw/zinc/25/28/94/384252894.db2.gz LCDFYIYUQPRCTC-NWDGAFQWSA-N 1 0 246.420 1.126 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)CC1CC[NH2+]CC1 ZINC000069668781 384262111 /nfs/dbraw/zinc/26/21/11/384262111.db2.gz DULYZNOMSBOAOL-JTQLQIEISA-N 1 0 224.348 1.681 10 0 BDAERO COc1c(C[N@H+](C)C(C)C)c(C)nn1C ZINC000158726186 384263581 /nfs/dbraw/zinc/26/35/81/384263581.db2.gz BRZFWBDDRGMUHV-UHFFFAOYSA-N 1 0 211.309 1.577 10 0 BDAERO C[C@@H](O)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082993999 384272897 /nfs/dbraw/zinc/27/28/97/384272897.db2.gz LISMKBHEWCTEIN-RCWTZXSCSA-N 1 0 213.321 1.160 10 0 BDAERO [NH3+]C[C@@H]1COc2c(Br)cccc2C1 ZINC000096987685 384274644 /nfs/dbraw/zinc/27/46/44/384274644.db2.gz XXNKGQZRJYDHHW-SSDOTTSWSA-N 1 0 242.116 1.959 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)COC2 ZINC000310785309 384307871 /nfs/dbraw/zinc/30/78/71/384307871.db2.gz PRTLDDGQYJCIIZ-RNCFNFMXSA-N 1 0 246.310 1.279 10 0 BDAERO COC(=O)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000044135374 384315622 /nfs/dbraw/zinc/31/56/22/384315622.db2.gz JIBSJYGJWVQJIM-NSHDSACASA-N 1 0 205.257 1.550 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000044135929 384317451 /nfs/dbraw/zinc/31/74/51/384317451.db2.gz DHIQDLYSUWUHPC-OLZOCXBDSA-N 1 0 249.310 1.561 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cscn1 ZINC000282451087 384282616 /nfs/dbraw/zinc/28/26/16/384282616.db2.gz VAXFXPCZSSQSBA-VGMNWLOBSA-N 1 0 239.344 1.461 10 0 BDAERO CCOc1ccc([C@@H](O)CC[NH3+])cc1OCC ZINC000074369299 384282668 /nfs/dbraw/zinc/28/26/68/384282668.db2.gz FMTYOYUKLVDMDT-NSHDSACASA-N 1 0 239.315 1.866 10 0 BDAERO FC(F)(F)c1ccnc2c1C[NH2+]CC2 ZINC000097758384 384283879 /nfs/dbraw/zinc/28/38/79/384283879.db2.gz JUKDABKUOSSHMR-UHFFFAOYSA-N 1 0 202.179 1.746 10 0 BDAERO Cc1ccoc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282457421 384286803 /nfs/dbraw/zinc/28/68/03/384286803.db2.gz SWDQHCVIRYEFRZ-UWVGGRQHSA-N 1 0 222.288 1.345 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000282467995 384292993 /nfs/dbraw/zinc/29/29/93/384292993.db2.gz ULTKIQXAXMQKBM-CABZTGNLSA-N 1 0 236.290 1.582 10 0 BDAERO Nc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)ccn1 ZINC000094442152 384302306 /nfs/dbraw/zinc/30/23/06/384302306.db2.gz FKMGETJFAKNAER-CYBMUJFWSA-N 1 0 246.358 1.334 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1nc2ccccc2nc1N ZINC000095069586 384335128 /nfs/dbraw/zinc/33/51/28/384335128.db2.gz SFRJBJAHQOVDPM-VIFPVBQESA-N 1 0 243.314 1.010 10 0 BDAERO Clc1nccc(SC[C@H]2CC[NH2+]C2)n1 ZINC000095070186 384336306 /nfs/dbraw/zinc/33/63/06/384336306.db2.gz UCYHCKCBJHXFCU-ZETCQYMHSA-N 1 0 229.736 1.832 10 0 BDAERO Clc1nccc(OC[C@H]2CCC[NH2+]2)n1 ZINC000095070336 384336339 /nfs/dbraw/zinc/33/63/39/384336339.db2.gz DQEBOMJQLPJLIP-SSDOTTSWSA-N 1 0 213.668 1.261 10 0 BDAERO Clc1nccc(CO[C@@H]2CCC[NH2+]C2)n1 ZINC000095070303 384336452 /nfs/dbraw/zinc/33/64/52/384336452.db2.gz UFQMOGJFLQRFDH-SECBINFHSA-N 1 0 227.695 1.399 10 0 BDAERO Clc1nccnc1CO[C@H]1CC[NH2+]C1 ZINC000095070381 384337188 /nfs/dbraw/zinc/33/71/88/384337188.db2.gz GERORGVWUSKRQX-ZETCQYMHSA-N 1 0 213.668 1.009 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000082279902 384337563 /nfs/dbraw/zinc/33/75/63/384337563.db2.gz ANYYKYMLGSGJAZ-LBPRGKRZSA-N 1 0 224.348 1.729 10 0 BDAERO CN(Cc1cncs1)C[C@@H]1CCC[NH2+]C1 ZINC000095071156 384338747 /nfs/dbraw/zinc/33/87/47/384338747.db2.gz GOVTURHONCZKSA-SNVBAGLBSA-N 1 0 225.361 1.575 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)c1nc2cccnc2[nH]1 ZINC000095070987 384338925 /nfs/dbraw/zinc/33/89/25/384338925.db2.gz GYDZDIQQJDETGW-SECBINFHSA-N 1 0 231.303 1.146 10 0 BDAERO CN(Cc1cncs1)C[C@H]1CCC[NH2+]1 ZINC000095071019 384338975 /nfs/dbraw/zinc/33/89/75/384338975.db2.gz SLHRQBDFDOCOGD-SECBINFHSA-N 1 0 211.334 1.327 10 0 BDAERO Cc1cnc(N(C)C[C@@H]2CCC[NH2+]2)nc1Cl ZINC000095070926 384339343 /nfs/dbraw/zinc/33/93/43/384339343.db2.gz LQQOHEXQMDMNQJ-VIFPVBQESA-N 1 0 240.738 1.627 10 0 BDAERO Cc1ccc(N(C)C[C@@H]2CCC[NH2+]C2)nn1 ZINC000095071050 384339386 /nfs/dbraw/zinc/33/93/86/384339386.db2.gz LPHJWUFPMPUAMO-LLVKDONJSA-N 1 0 220.320 1.221 10 0 BDAERO CN(Cc1cnc(Cl)s1)C[C@H]1CCC[NH2+]1 ZINC000095071017 384339528 /nfs/dbraw/zinc/33/95/28/384339528.db2.gz XRNAAONGTAJUDK-MRVPVSSYSA-N 1 0 245.779 1.980 10 0 BDAERO Cc1ccnc(N(C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000095071080 384339582 /nfs/dbraw/zinc/33/95/82/384339582.db2.gz XYZONIOFSLANNJ-GFCCVEGCSA-N 1 0 219.332 1.826 10 0 BDAERO CSc1nccnc1CO[C@@H]1CCC[NH2+]C1 ZINC000095071941 384340815 /nfs/dbraw/zinc/34/08/15/384340815.db2.gz HXTOPBUZCLYATF-SECBINFHSA-N 1 0 239.344 1.467 10 0 BDAERO CN(CC(=O)c1cccs1)C[C@H]1CC[NH2+]C1 ZINC000095071277 384340846 /nfs/dbraw/zinc/34/08/46/384340846.db2.gz UANSLNMEEOYSBG-JTQLQIEISA-N 1 0 238.356 1.472 10 0 BDAERO CC[C@H](C)[C@@H](C)NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643652431 384341116 /nfs/dbraw/zinc/34/11/16/384341116.db2.gz RVUOSRLHTVZLLJ-DMDPSCGWSA-N 1 0 242.363 1.306 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2nc3cccnc3[nH]2)C1 ZINC000095071451 384341421 /nfs/dbraw/zinc/34/14/21/384341421.db2.gz KEMMLYFVHSCGGZ-SECBINFHSA-N 1 0 231.303 1.146 10 0 BDAERO C[NH2+][C@H]1CCCN(Cc2ccc(Cl)nn2)C1 ZINC000095071502 384341568 /nfs/dbraw/zinc/34/15/68/384341568.db2.gz BRDMLHRZOOBEKB-VIFPVBQESA-N 1 0 240.738 1.314 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ccnc(Cl)n1 ZINC000095072210 384343350 /nfs/dbraw/zinc/34/33/50/384343350.db2.gz NPLFWUZACKCWCN-SFYZADRCSA-N 1 0 226.711 1.812 10 0 BDAERO Nc1nc2ccccc2nc1NC[C@H]1CC[NH2+]C1 ZINC000095072177 384343674 /nfs/dbraw/zinc/34/36/74/384343674.db2.gz JZUSEGSAJWMEAG-VIFPVBQESA-N 1 0 243.314 1.233 10 0 BDAERO O=[S@](Cc1cccnc1)C[C@@H]1CCCC[NH2+]1 ZINC000095073512 384348789 /nfs/dbraw/zinc/34/87/89/384348789.db2.gz DOHHRHDGFLSEFF-LRDDRELGSA-N 1 0 238.356 1.472 10 0 BDAERO CNS(=O)(=O)[C@H](C)c1nccn1C(C)C ZINC000095075992 384350145 /nfs/dbraw/zinc/35/01/45/384350145.db2.gz OYEUBDOLIYFEML-MRVPVSSYSA-N 1 0 231.321 1.074 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1Cc1cccc(F)c1 ZINC000095075918 384350234 /nfs/dbraw/zinc/35/02/34/384350234.db2.gz UBYRNKBJHLHKJR-WCQYABFASA-N 1 0 223.291 1.993 10 0 BDAERO O=[S@@](CC1CC[NH2+]CC1)c1ccccn1 ZINC000095073708 384350572 /nfs/dbraw/zinc/35/05/72/384350572.db2.gz PCZWPZVRONGYBO-OAHLLOKOSA-N 1 0 224.329 1.189 10 0 BDAERO O=C1C[C@@]2(CC[N@H+](Cc3ccccc3)C2)N1 ZINC000095077832 384352459 /nfs/dbraw/zinc/35/24/59/384352459.db2.gz CCNCRABQMVLYGO-CYBMUJFWSA-N 1 0 216.284 1.151 10 0 BDAERO FC(F)(F)N(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000095076911 384353058 /nfs/dbraw/zinc/35/30/58/384353058.db2.gz LWIKUVSTCQAXST-MRVPVSSYSA-N 1 0 208.227 1.723 10 0 BDAERO COC(=O)C[C@@H](O)C1C[NH+](Cc2ccccc2)C1 ZINC000095076227 384353260 /nfs/dbraw/zinc/35/32/60/384353260.db2.gz SSWPIEBNYAZAGH-CYBMUJFWSA-N 1 0 249.310 1.042 10 0 BDAERO FC(F)(F)N(C1CC1)C1CC[NH2+]CC1 ZINC000095076912 384353580 /nfs/dbraw/zinc/35/35/80/384353580.db2.gz ZPEKRXHSJVZJNP-UHFFFAOYSA-N 1 0 208.227 1.723 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CCC2CCOCC2)C1 ZINC000335589161 384355067 /nfs/dbraw/zinc/35/50/67/384355067.db2.gz GMNOFAZBNBIOJO-AAEUAGOBSA-N 1 0 227.348 1.506 10 0 BDAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000120535440 384359797 /nfs/dbraw/zinc/35/97/97/384359797.db2.gz ZSOGDJUIPYEEJN-NRUUGDAUSA-N 1 0 243.314 1.721 10 0 BDAERO c1ccc(COCCC2CC[NH2+]CC2)nc1 ZINC000095092507 384360843 /nfs/dbraw/zinc/36/08/43/384360843.db2.gz YDHISVHPBPWMLK-UHFFFAOYSA-N 1 0 220.316 1.988 10 0 BDAERO c1ncc(COCC2CC[NH2+]CC2)s1 ZINC000095092698 384362200 /nfs/dbraw/zinc/36/22/00/384362200.db2.gz FZPXTXFAAOAVNP-UHFFFAOYSA-N 1 0 212.318 1.659 10 0 BDAERO c1cnc2[nH]c(OC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092679 384362367 /nfs/dbraw/zinc/36/23/67/384362367.db2.gz WYSNQQHFWGZPEO-VIFPVBQESA-N 1 0 232.287 1.336 10 0 BDAERO c1cnc(COCCC2CC[NH2+]CC2)cn1 ZINC000095092511 384362431 /nfs/dbraw/zinc/36/24/31/384362431.db2.gz YTAXJMILAQFAMC-UHFFFAOYSA-N 1 0 221.304 1.383 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1cccnc1 ZINC000335597222 384362503 /nfs/dbraw/zinc/36/25/03/384362503.db2.gz QQMAEKQBGFHVKW-YPMHNXCESA-N 1 0 220.316 1.469 10 0 BDAERO O=C1NC(=O)c2c1cccc2C1CC[NH2+]CC1 ZINC000095093053 384362624 /nfs/dbraw/zinc/36/26/24/384362624.db2.gz KUPMEJNGWXKAHI-UHFFFAOYSA-N 1 0 230.267 1.037 10 0 BDAERO C[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000095347653 384369731 /nfs/dbraw/zinc/36/97/31/384369731.db2.gz WZYNYEJNHUTUMN-JSGCOSHPSA-N 1 0 234.343 1.495 10 0 BDAERO CC1(C)CC[C@H]1[NH2+][C@H]1CCCn2ncnc21 ZINC000335602587 384373052 /nfs/dbraw/zinc/37/30/52/384373052.db2.gz MXIFBJPMCQFNSA-VHSXEESVSA-N 1 0 220.320 1.891 10 0 BDAERO C[C@@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1ccc[nH]1 ZINC000095068305 384329864 /nfs/dbraw/zinc/32/98/64/384329864.db2.gz BNGCEMOQZAFMLM-JFGNBEQYSA-N 1 0 207.321 1.935 10 0 BDAERO Cc1cnc(S[C@@H]2CC[NH2+]C2)nc1Cl ZINC000095068726 384329910 /nfs/dbraw/zinc/32/99/10/384329910.db2.gz DGFBKBCWASWYFB-SSDOTTSWSA-N 1 0 229.736 1.892 10 0 BDAERO C([C@H]1CCSC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000300232089 384331270 /nfs/dbraw/zinc/33/12/70/384331270.db2.gz FYVMSBOAAUOJER-NEPJUHHUSA-N 1 0 226.389 1.520 10 0 BDAERO Cc1ccnc([S@@](=O)CC2CC[NH2+]CC2)c1 ZINC000095069231 384332623 /nfs/dbraw/zinc/33/26/23/384332623.db2.gz VTRRYRANMGHYKA-MRXNPFEDSA-N 1 0 238.356 1.497 10 0 BDAERO Cc1ccc(OCCC[C@H]2CCC[NH2+]C2)nn1 ZINC000095069139 384332750 /nfs/dbraw/zinc/33/27/50/384332750.db2.gz XCXJDNSIMBWMSN-GFCCVEGCSA-N 1 0 235.331 1.944 10 0 BDAERO Clc1ccc(S[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069978 384333832 /nfs/dbraw/zinc/33/38/32/384333832.db2.gz DZRGLICCLOBJCI-SSDOTTSWSA-N 1 0 229.736 1.974 10 0 BDAERO Clc1cnc(NCC2CC[NH2+]CC2)nc1 ZINC000095070042 384333880 /nfs/dbraw/zinc/33/38/80/384333880.db2.gz SXMZYFJADICNMP-UHFFFAOYSA-N 1 0 226.711 1.542 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ncc(C)o1 ZINC000175337853 384426266 /nfs/dbraw/zinc/42/62/66/384426266.db2.gz IBRLHWVDBYFDPJ-GFCCVEGCSA-N 1 0 237.347 1.899 10 0 BDAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000095908552 384407443 /nfs/dbraw/zinc/40/74/43/384407443.db2.gz QTNYMKISNHWOMI-NSHDSACASA-N 1 0 245.388 1.734 10 0 BDAERO CC(C)CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095908679 384408151 /nfs/dbraw/zinc/40/81/51/384408151.db2.gz AUVLDKHXOKISIG-ZACCUICWSA-N 1 0 231.361 1.340 10 0 BDAERO CN(C)CC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045946153 384414617 /nfs/dbraw/zinc/41/46/17/384414617.db2.gz CCSHGZUTZYZQRD-UHFFFAOYSA-N 1 0 231.343 1.830 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@@H]([NH3+])[C@@H]2C1 ZINC000095940656 384417268 /nfs/dbraw/zinc/41/72/68/384417268.db2.gz RMDALSIUARCJCV-IVZWLZJFSA-N 1 0 224.304 1.367 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H]1CCCCO1 ZINC000175345892 384427065 /nfs/dbraw/zinc/42/70/65/384427065.db2.gz RXMSXAVPIHTJEN-KGLIPLIRSA-N 1 0 240.391 1.972 10 0 BDAERO C[C@@H]([NH2+]C[C@@H](O)CO)c1ccc2ccccc2c1 ZINC000078430079 384444967 /nfs/dbraw/zinc/44/49/67/384444967.db2.gz WXJZXXCKWIXSGH-IAQYHMDHSA-N 1 0 245.322 1.844 10 0 BDAERO Cc1nccn1CC[NH2+]Cc1cnn(C)c1C ZINC000229807073 384434415 /nfs/dbraw/zinc/43/44/15/384434415.db2.gz RRZXOWARHWONHF-UHFFFAOYSA-N 1 0 233.319 1.023 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cncs1 ZINC000161580106 384505398 /nfs/dbraw/zinc/50/53/98/384505398.db2.gz YULMQPGXQNUFKC-UWVGGRQHSA-N 1 0 241.360 1.124 10 0 BDAERO NC[C@H]1CCCC[N@@H+]1[C@@H]1CCCSC1 ZINC000061590680 384519714 /nfs/dbraw/zinc/51/97/14/384519714.db2.gz OCLRFILAMODRSO-GHMZBOCLSA-N 1 0 214.378 1.695 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)N=c1[nH]c2ccccc2s1 ZINC000335846173 384526309 /nfs/dbraw/zinc/52/63/09/384526309.db2.gz IFIZFLZNOPETRR-HTQZYQBOSA-N 1 0 221.329 1.866 10 0 BDAERO COc1cc(C)nc(N[C@@H](C[NH3+])CC(C)C)n1 ZINC000164183829 384554342 /nfs/dbraw/zinc/55/43/42/384554342.db2.gz LJUBEAZIVIZTHJ-SNVBAGLBSA-N 1 0 238.335 1.579 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000052395767 384539771 /nfs/dbraw/zinc/53/97/71/384539771.db2.gz REBZTYHODAKGNE-SNVBAGLBSA-N 1 0 245.326 1.435 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC1CCCC1 ZINC000309789446 384603987 /nfs/dbraw/zinc/60/39/87/384603987.db2.gz OXNGDRVSNHCQEV-CMPLNLGQSA-N 1 0 224.348 1.823 10 0 BDAERO Cc1cccc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000184566453 384620374 /nfs/dbraw/zinc/62/03/74/384620374.db2.gz TYVOKRQTRNWQKM-GFCCVEGCSA-N 1 0 217.316 1.674 10 0 BDAERO Cc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000084447693 384625082 /nfs/dbraw/zinc/62/50/82/384625082.db2.gz GLQBSYDLNSZSLE-UHFFFAOYSA-N 1 0 205.301 1.856 10 0 BDAERO COc1cc(N)ccc1N1CC[NH+](C(C)C)CC1 ZINC000139666703 384625583 /nfs/dbraw/zinc/62/55/83/384625583.db2.gz MNBZTWHGWMYITR-UHFFFAOYSA-N 1 0 249.358 1.808 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309816890 384636402 /nfs/dbraw/zinc/63/64/02/384636402.db2.gz VKUJPJJQLXQUIQ-HBNTYKKESA-N 1 0 224.348 1.822 10 0 BDAERO C[C@]([NH3+])(CO)[C@H]1CCc2cc(O)ccc2C1 ZINC000082048717 384643812 /nfs/dbraw/zinc/64/38/12/384643812.db2.gz ROQUHQOMQGBKNK-AAEUAGOBSA-N 1 0 221.300 1.207 10 0 BDAERO COC(=O)c1ccccc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062112950 384657364 /nfs/dbraw/zinc/65/73/64/384657364.db2.gz MIIGQJWCTFLWBJ-VIFPVBQESA-N 1 0 248.282 1.021 10 0 BDAERO Cc1cc(C)c(C[NH+]2CCN(N)CC2)c(C)c1 ZINC000033825063 384658126 /nfs/dbraw/zinc/65/81/26/384658126.db2.gz XWJMTWOZGBEHIE-UHFFFAOYSA-N 1 0 233.359 1.603 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000082285404 384659854 /nfs/dbraw/zinc/65/98/54/384659854.db2.gz GWVTWDGOWVXMHH-GFCCVEGCSA-N 1 0 248.326 1.228 10 0 BDAERO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)s1 ZINC000082432936 384681738 /nfs/dbraw/zinc/68/17/38/384681738.db2.gz MEXQQRAOQNUFMW-LLVKDONJSA-N 1 0 240.372 1.477 10 0 BDAERO C[C@H](C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1)C(C)(C)C ZINC000647541212 384683855 /nfs/dbraw/zinc/68/38/55/384683855.db2.gz MIWRWKCTBJJIMR-AGIUHOORSA-N 1 0 240.391 1.731 10 0 BDAERO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000309883776 384691256 /nfs/dbraw/zinc/69/12/56/384691256.db2.gz WZNMSNRKNAZBAE-HOSYDEDBSA-N 1 0 225.336 1.857 10 0 BDAERO Clc1ccc(OC[C@H]2CCC[NH2+]2)nn1 ZINC000051865957 384694536 /nfs/dbraw/zinc/69/45/36/384694536.db2.gz KWANFKCWAAWCJO-SSDOTTSWSA-N 1 0 213.668 1.261 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1ccc(Br)s1 ZINC000043265245 384699380 /nfs/dbraw/zinc/69/93/80/384699380.db2.gz HVNFZFBKZWCUBR-CLZZGJSISA-N 1 0 236.134 1.891 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000309901955 384702066 /nfs/dbraw/zinc/70/20/66/384702066.db2.gz IEDHFMJYSKNFSK-ZYHUDNBSSA-N 1 0 221.304 1.375 10 0 BDAERO [NH3+][C@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000125181578 384702558 /nfs/dbraw/zinc/70/25/58/384702558.db2.gz BIYWLJOOUXCBQB-IUCAKERBSA-N 1 0 243.104 1.633 10 0 BDAERO c1ccc2nc(O[C@H]3CCC[NH2+]C3)cnc2c1 ZINC000052018312 384710355 /nfs/dbraw/zinc/71/03/55/384710355.db2.gz YUVUJOQVCDAQKS-JTQLQIEISA-N 1 0 229.283 1.761 10 0 BDAERO COC[C@@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000173779367 384720315 /nfs/dbraw/zinc/72/03/15/384720315.db2.gz NTYGPMWYHUHKJH-CHWSQXEVSA-N 1 0 249.358 1.850 10 0 BDAERO COC(C)(C)C[C@H](C)[NH2+]CC(C)(C)O ZINC000083461273 384774204 /nfs/dbraw/zinc/77/42/04/384774204.db2.gz KHWZAAHFPDJPQJ-VIFPVBQESA-N 1 0 203.326 1.551 10 0 BDAERO Cc1cnc(N[C@@H]2CCC[NH2+]C2)nc1C ZINC000107201587 384780716 /nfs/dbraw/zinc/78/07/16/384780716.db2.gz NLOHNNOCTFIJRY-SNVBAGLBSA-N 1 0 206.293 1.257 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncccc1Cl ZINC000307023088 384729205 /nfs/dbraw/zinc/72/92/05/384729205.db2.gz FNVPFBVLGYMRRW-JGVFFNPUSA-N 1 0 211.696 1.661 10 0 BDAERO C[C@H]([NH3+])Cc1ccc(Br)nc1 ZINC000044461733 384729227 /nfs/dbraw/zinc/72/92/27/384729227.db2.gz BZEVNEHKIHWDBD-LURJTMIESA-N 1 0 215.094 1.734 10 0 BDAERO C[C@H]([NH3+])CC(=O)c1ccc2c(c1)OCO2 ZINC000044461903 384730193 /nfs/dbraw/zinc/73/01/93/384730193.db2.gz NXZOFFVFNYVLEC-ZETCQYMHSA-N 1 0 207.229 1.335 10 0 BDAERO COC(C)(C)C[C@@H](C)[NH2+]CC[C@H](C)O ZINC000082993203 384734227 /nfs/dbraw/zinc/73/42/27/384734227.db2.gz OIVWFIVWYSVNCZ-ZJUUUORDSA-N 1 0 203.326 1.551 10 0 BDAERO Cc1cc(N2C[C@H](O)C[C@H](C)C2)cc[nH+]1 ZINC000334811972 384734863 /nfs/dbraw/zinc/73/48/63/384734863.db2.gz DWKSAEXZAZXRLR-JOYOIKCWSA-N 1 0 206.289 1.597 10 0 BDAERO C[C@@H]([NH3+])CC(=O)c1ccc2c(c1)OCO2 ZINC000044461904 384735371 /nfs/dbraw/zinc/73/53/71/384735371.db2.gz NXZOFFVFNYVLEC-SSDOTTSWSA-N 1 0 207.229 1.335 10 0 BDAERO COC(C)(C)C[C@@H](C)[NH2+]CC[C@@H](C)O ZINC000082993205 384735635 /nfs/dbraw/zinc/73/56/35/384735635.db2.gz OIVWFIVWYSVNCZ-NXEZZACHSA-N 1 0 203.326 1.551 10 0 BDAERO C[NH+](C)C[C@@H](NC(=O)C1CC1)c1ccccc1 ZINC000052555261 384735991 /nfs/dbraw/zinc/73/59/91/384735991.db2.gz VUSNSMFRFBPXFJ-CYBMUJFWSA-N 1 0 232.327 1.816 10 0 BDAERO O=C1NC[C@@H](c2ccc(F)cc2)C12CC[NH2+]CC2 ZINC000020446341 384739562 /nfs/dbraw/zinc/73/95/62/384739562.db2.gz ZDMQEPOFLRQVCV-LBPRGKRZSA-N 1 0 248.301 1.409 10 0 BDAERO N[C@@H](C[NH3+])Cc1ccc(Cl)c(F)c1F ZINC000044477385 384740063 /nfs/dbraw/zinc/74/00/63/384740063.db2.gz IBCFKDFFLJONHP-ZCFIWIBFSA-N 1 0 220.650 1.447 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1ncc(Cl)cn1 ZINC000307089189 384740739 /nfs/dbraw/zinc/74/07/39/384740739.db2.gz UQAWNTYVCGBQMY-XPUUQOCRSA-N 1 0 212.684 1.056 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(OC(F)(F)F)c(F)c1 ZINC000044473242 384741455 /nfs/dbraw/zinc/74/14/55/384741455.db2.gz LNEOOEDYRYWJCL-ZETCQYMHSA-N 1 0 238.184 1.683 10 0 BDAERO OC1(CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CCC1 ZINC000335477083 384744635 /nfs/dbraw/zinc/74/46/35/384744635.db2.gz VMIIYLLZQCEDCN-STQMWFEESA-N 1 0 239.359 1.935 10 0 BDAERO CC(C)c1nccc(N[C@H]2CC[NH2+]C2)n1 ZINC000107201602 384779658 /nfs/dbraw/zinc/77/96/58/384779658.db2.gz BFXRERVMVKJOIV-VIFPVBQESA-N 1 0 206.293 1.374 10 0 BDAERO Cc1cc(F)ccc1Cn1cc(C[NH3+])nn1 ZINC000163383741 384756709 /nfs/dbraw/zinc/75/67/09/384756709.db2.gz BLBOSXFEQIHNGP-UHFFFAOYSA-N 1 0 220.251 1.233 10 0 BDAERO [NH3+]Cc1nccc(-c2cccc(F)c2)n1 ZINC000083284398 384759097 /nfs/dbraw/zinc/75/90/97/384759097.db2.gz VSDNBSCZCLUTLO-UHFFFAOYSA-N 1 0 203.220 1.741 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000309984967 384763875 /nfs/dbraw/zinc/76/38/75/384763875.db2.gz XWUUSJCSUZKRQK-NWDGAFQWSA-N 1 0 227.348 1.818 10 0 BDAERO COC(C)(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000176776317 384765304 /nfs/dbraw/zinc/76/53/04/384765304.db2.gz YBVMYKXVXSIBAE-LLVKDONJSA-N 1 0 244.379 1.504 10 0 BDAERO CN(C)c1cccnc1C[NH2+][C@@H]1CCSC1 ZINC000289585435 384772238 /nfs/dbraw/zinc/77/22/38/384772238.db2.gz BQZVWZXNJZRBDY-SNVBAGLBSA-N 1 0 237.372 1.743 10 0 BDAERO [NH3+][C@H](CO)c1ccc(O)c(Br)c1 ZINC000072198712 384816199 /nfs/dbraw/zinc/81/61/99/384816199.db2.gz UUOKNTITOGGBKD-SSDOTTSWSA-N 1 0 232.077 1.147 10 0 BDAERO [NH3+]Cc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000061843822 384790304 /nfs/dbraw/zinc/79/03/04/384790304.db2.gz FHAXLWKUNIXOFY-UHFFFAOYSA-N 1 0 208.652 1.584 10 0 BDAERO C[C@@H](CC[NH+]1CC(O)C1)c1ccccc1 ZINC000297315717 384798550 /nfs/dbraw/zinc/79/85/50/384798550.db2.gz CGYATMYUEOVKDM-NSHDSACASA-N 1 0 205.301 1.857 10 0 BDAERO Cc1ccc(Cl)c([C@H](N)C[NH3+])c1F ZINC000072200607 384814379 /nfs/dbraw/zinc/81/43/79/384814379.db2.gz AJPZHCZKNBNFQU-SSDOTTSWSA-N 1 0 202.660 1.746 10 0 BDAERO [NH3+][C@H](CO)c1cccc(C(F)(F)F)c1F ZINC000072198437 384814458 /nfs/dbraw/zinc/81/44/58/384814458.db2.gz GOVQSPRLECVDKT-SSDOTTSWSA-N 1 0 223.169 1.837 10 0 BDAERO CCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000105890933 384814448 /nfs/dbraw/zinc/81/44/48/384814448.db2.gz MJCVUPGHZLFFJX-GFCCVEGCSA-N 1 0 223.320 1.384 10 0 BDAERO Cc1ccc(Cl)c([C@@H](N)C[NH3+])c1F ZINC000072200608 384815169 /nfs/dbraw/zinc/81/51/69/384815169.db2.gz AJPZHCZKNBNFQU-ZETCQYMHSA-N 1 0 202.660 1.746 10 0 BDAERO COC[C@]1(C(=O)NCCC2(C)CC2)CCC[NH2+]1 ZINC000643798898 384877398 /nfs/dbraw/zinc/87/73/98/384877398.db2.gz NUMNWXBDOZVZQW-ZDUSSCGKSA-N 1 0 240.347 1.061 10 0 BDAERO CC(C)n1cc(C[NH2+][C@@H]2CCO[C@H]2C)cn1 ZINC000127313630 384882196 /nfs/dbraw/zinc/88/21/96/384882196.db2.gz YJZQCRFDRRXRMI-CMPLNLGQSA-N 1 0 223.320 1.731 10 0 BDAERO COCc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)o1 ZINC000127328270 384885734 /nfs/dbraw/zinc/88/57/34/384885734.db2.gz LCZGCFZRLNOMHP-JOYOIKCWSA-N 1 0 225.288 1.693 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2ccccc2C)C1 ZINC000310153832 384858092 /nfs/dbraw/zinc/85/80/92/384858092.db2.gz PSSUBKVEFJJQCB-KGLIPLIRSA-N 1 0 235.327 1.577 10 0 BDAERO CC/C=C\CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309836271 384864061 /nfs/dbraw/zinc/86/40/61/384864061.db2.gz BGOHNBWBGDIHEF-GZTOBOFZSA-N 1 0 224.348 1.990 10 0 BDAERO COC[C@@H](C)[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000368438277 384954175 /nfs/dbraw/zinc/95/41/75/384954175.db2.gz KJGDQWBJNPARKD-MNOVXSKESA-N 1 0 223.320 1.070 10 0 BDAERO CC[C@H]([NH3+])CNc1cncc(Br)c1 ZINC000300812763 384955511 /nfs/dbraw/zinc/95/55/11/384955511.db2.gz YOUVAAVEQCJMMR-QMMMGPOBSA-N 1 0 244.136 1.993 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cccnc2)C1 ZINC000334747692 384891009 /nfs/dbraw/zinc/89/10/09/384891009.db2.gz VILXUTIRKLWOLQ-ZYHUDNBSSA-N 1 0 206.289 1.284 10 0 BDAERO COC(=O)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105923692 384892172 /nfs/dbraw/zinc/89/21/72/384892172.db2.gz BLBUPBLNLMFQSK-LLVKDONJSA-N 1 0 237.303 1.001 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])Cn2c(Br)cnc21 ZINC000156231354 384895993 /nfs/dbraw/zinc/89/59/93/384895993.db2.gz YYTZYVHNURYVOH-PHDIDXHHSA-N 1 0 230.109 1.480 10 0 BDAERO CCN(C(=O)[C@@H](C)[NH2+]C)c1ccccc1 ZINC000049753005 384898214 /nfs/dbraw/zinc/89/82/14/384898214.db2.gz LROVWUYQGZYIOJ-SNVBAGLBSA-N 1 0 206.289 1.647 10 0 BDAERO COCc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)o1 ZINC000128038570 384926234 /nfs/dbraw/zinc/92/62/34/384926234.db2.gz VMVJSGPLWXXFKI-QWHCGFSZSA-N 1 0 239.315 1.819 10 0 BDAERO [NH3+][C@H]1CCC[C@H](Nc2ccncc2Cl)C1 ZINC000335581044 384936031 /nfs/dbraw/zinc/93/60/31/384936031.db2.gz MBAXLSRXZRNBMI-IUCAKERBSA-N 1 0 225.723 1.839 10 0 BDAERO C[NH+](C)[C@@H]1CC[C@@H](Nc2ncccn2)C1 ZINC000301917377 384947276 /nfs/dbraw/zinc/94/72/76/384947276.db2.gz HOOMWHIVENFPCJ-NXEZZACHSA-N 1 0 206.293 1.371 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccns1 ZINC000404280979 384965279 /nfs/dbraw/zinc/96/52/79/384965279.db2.gz DYAPSEYCXDBECE-MNOVXSKESA-N 1 0 237.372 1.812 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccns1 ZINC000404280977 384966351 /nfs/dbraw/zinc/96/63/51/384966351.db2.gz DYAPSEYCXDBECE-GHMZBOCLSA-N 1 0 237.372 1.812 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccco1 ZINC000085790338 384967895 /nfs/dbraw/zinc/96/78/95/384967895.db2.gz CLAKSOMGAGJVLX-WDEREUQCSA-N 1 0 224.304 1.261 10 0 BDAERO COC(C)(C)CN(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000404304603 384970551 /nfs/dbraw/zinc/97/05/51/384970551.db2.gz JABZITGUTCEAPM-QWRGUYRKSA-N 1 0 242.363 1.258 10 0 BDAERO CCC[C@H]1C[C@@H]1Nc1cc[nH+]cc1C(N)=O ZINC000302182269 384979033 /nfs/dbraw/zinc/97/90/33/384979033.db2.gz ZBZAJGJTBLDNJI-KWQFWETISA-N 1 0 219.288 1.781 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)sn1 ZINC000404430284 384995996 /nfs/dbraw/zinc/99/59/96/384995996.db2.gz AICGIUQLDOQSPU-ONGXEEELSA-N 1 0 226.345 1.702 10 0 BDAERO C[C@@H](C[NH3+])c1noc(C(F)(F)Cl)n1 ZINC000156787914 384961353 /nfs/dbraw/zinc/96/13/53/384961353.db2.gz DZDKVAYWBDFTIO-VKHMYHEASA-N 1 0 211.599 1.420 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2cc(C)ns2)c1 ZINC000404493069 385021026 /nfs/dbraw/zinc/02/10/26/385021026.db2.gz XJBSWWLXVOERCD-UHFFFAOYSA-N 1 0 236.344 1.746 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccns3)C[C@H]12 ZINC000404506805 385025824 /nfs/dbraw/zinc/02/58/24/385025824.db2.gz MUHKJPXLTMLZNC-DVVUODLYSA-N 1 0 223.345 1.312 10 0 BDAERO Cc1ccc(N(C)CC2CC[NH2+]CC2)nc1 ZINC000086703961 385039776 /nfs/dbraw/zinc/03/97/76/385039776.db2.gz UVUHRKNSFKFFGL-UHFFFAOYSA-N 1 0 219.332 1.826 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccccc1O ZINC000157231837 385111396 /nfs/dbraw/zinc/11/13/96/385111396.db2.gz WXGOPYURHISLKX-PWSUYJOCSA-N 1 0 248.326 1.191 10 0 BDAERO COCCCC[N@@H+]1CCC[C@@H]1CCCO ZINC000157216056 385112656 /nfs/dbraw/zinc/11/26/56/385112656.db2.gz PPMMURUVOLPWFE-GFCCVEGCSA-N 1 0 215.337 1.650 10 0 BDAERO Cc1ccnc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000061859908 385142676 /nfs/dbraw/zinc/14/26/76/385142676.db2.gz VNMUGVAYIOEAAH-NSHDSACASA-N 1 0 221.304 1.696 10 0 BDAERO Cn1ncc(Cl)c1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000131515183 385089448 /nfs/dbraw/zinc/08/94/48/385089448.db2.gz UWFWSBGAWJJQBY-SNVBAGLBSA-N 1 0 245.754 1.570 10 0 BDAERO Cn1ncc(Cl)c1C[NH2+]C[C@H](O)C(C)(C)C ZINC000131515380 385089919 /nfs/dbraw/zinc/08/99/19/385089919.db2.gz UWFWSBGAWJJQBY-JTQLQIEISA-N 1 0 245.754 1.570 10 0 BDAERO COC[C@@H](O)CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000644686502 385105234 /nfs/dbraw/zinc/10/52/34/385105234.db2.gz NCHSJNPSBJUTJF-ZDUSSCGKSA-N 1 0 236.315 1.051 10 0 BDAERO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000309133084 385105486 /nfs/dbraw/zinc/10/54/86/385105486.db2.gz RKFIIQMCVGMKGO-IUCAKERBSA-N 1 0 212.293 1.263 10 0 BDAERO CC[C@H]1CN(C(=O)C2CC(C)C2)CC[C@@H]1[NH3+] ZINC000647013879 385146281 /nfs/dbraw/zinc/14/62/81/385146281.db2.gz QCNJMGZOVIKGRS-ADPBJBESSA-N 1 0 224.348 1.618 10 0 BDAERO Cc1noc(CC[NH2+][C@H](C)c2cncs2)n1 ZINC000129386544 385148902 /nfs/dbraw/zinc/14/89/02/385148902.db2.gz IQCMOAQROHEVLI-SSDOTTSWSA-N 1 0 238.316 1.728 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000308834500 385200107 /nfs/dbraw/zinc/20/01/07/385200107.db2.gz HOZFMIRTPXCUHN-UBHAPETDSA-N 1 0 205.305 1.796 10 0 BDAERO FC(F)(Cl)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000156824010 385162387 /nfs/dbraw/zinc/16/23/87/385162387.db2.gz VVJSQELTGIUTRY-SCSAIBSYSA-N 1 0 223.610 1.782 10 0 BDAERO Cc1ccn(C)c1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000189699638 385175851 /nfs/dbraw/zinc/17/58/51/385175851.db2.gz XYTMTGCVNZJURB-NSHDSACASA-N 1 0 235.331 1.110 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ccc(Br)cc1 ZINC000259057481 385177845 /nfs/dbraw/zinc/17/78/45/385177845.db2.gz WYVXVMCFZCWHMI-SNVBAGLBSA-N 1 0 241.132 1.987 10 0 BDAERO O=C(C1CC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107636279 385208317 /nfs/dbraw/zinc/20/83/17/385208317.db2.gz APEGOUSEINWGCE-ZDUSSCGKSA-N 1 0 236.359 1.873 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000177309012 385219448 /nfs/dbraw/zinc/21/94/48/385219448.db2.gz OOYMYIMGQPNHTH-DGCLKSJQSA-N 1 0 246.358 1.834 10 0 BDAERO CCCCOCCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000157908509 385305563 /nfs/dbraw/zinc/30/55/63/385305563.db2.gz PTLQBRWJTSBEBD-NWDGAFQWSA-N 1 0 242.363 1.165 10 0 BDAERO CC(C)c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054301272 385318648 /nfs/dbraw/zinc/31/86/48/385318648.db2.gz QLYJMXSZQAXRBH-VIFPVBQESA-N 1 0 209.293 1.735 10 0 BDAERO CCC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157708469 385261744 /nfs/dbraw/zinc/26/17/44/385261744.db2.gz QJOQIIVBTXYGKW-UHFFFAOYSA-N 1 0 247.342 1.885 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccncc3)C2)cn1 ZINC000130627975 385267325 /nfs/dbraw/zinc/26/73/25/385267325.db2.gz IZYNTKUCWZJZAH-CYBMUJFWSA-N 1 0 242.326 1.805 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000308945372 385301260 /nfs/dbraw/zinc/30/12/60/385301260.db2.gz RZMXXBNVZKRKBY-UWVGGRQHSA-N 1 0 210.321 1.433 10 0 BDAERO O=C(Nc1ccc(O[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000409424127 385331320 /nfs/dbraw/zinc/33/13/20/385331320.db2.gz FFNMJVVJCULJJT-ZDUSSCGKSA-N 1 0 246.310 1.776 10 0 BDAERO CCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247476423 385342271 /nfs/dbraw/zinc/34/22/71/385342271.db2.gz SEQJBBHINKAOJD-VXGBXAGGSA-N 1 0 224.348 1.872 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cc(C)ccc2C)C1 ZINC000311148615 385342781 /nfs/dbraw/zinc/34/27/81/385342781.db2.gz VJGRFLXOKHHIJB-HUUCEWRRSA-N 1 0 249.354 1.885 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000294969069 385344706 /nfs/dbraw/zinc/34/47/06/385344706.db2.gz IWVIHPGATXWTAC-WCQYABFASA-N 1 0 245.326 1.680 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000307943429 385353004 /nfs/dbraw/zinc/35/30/04/385353004.db2.gz FPDVTTNXKMRAQX-RNJXMRFFSA-N 1 0 227.226 1.067 10 0 BDAERO CC[C@@H](C)C[NH2+][C@H]1CCc2ncnn2C1 ZINC000120539264 385361086 /nfs/dbraw/zinc/36/10/86/385361086.db2.gz SPXRCEVZICMVNL-ZJUUUORDSA-N 1 0 208.309 1.229 10 0 BDAERO CC[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000309000941 385362548 /nfs/dbraw/zinc/36/25/48/385362548.db2.gz ROPCDBSAXFZDDM-RYUDHWBXSA-N 1 0 212.337 1.191 10 0 BDAERO Cc1nnc(N2CCC[C@H](C)[C@@H]2C[NH3+])nc1C ZINC000165367614 385379873 /nfs/dbraw/zinc/37/98/73/385379873.db2.gz UAHZGPDQKYHYDQ-KWQFWETISA-N 1 0 235.335 1.052 10 0 BDAERO CC[C@@H]([NH2+]CCCC(=O)NC)C(C)(C)C ZINC000309093879 385406213 /nfs/dbraw/zinc/40/62/13/385406213.db2.gz DDALFFUOCXIXKP-SNVBAGLBSA-N 1 0 214.353 1.927 10 0 BDAERO Cc1c(C[NH2+][C@H](C)CC(C)(C)O)cnn1C ZINC000295055320 385409917 /nfs/dbraw/zinc/40/99/17/385409917.db2.gz NUHOXBRHGPKDFD-SECBINFHSA-N 1 0 225.336 1.368 10 0 BDAERO C[C@H]1C[C@H]([NH2+]Cc2nccs2)CN1C ZINC000155830998 385416277 /nfs/dbraw/zinc/41/62/77/385416277.db2.gz WAOLHCGYMKLVIA-IUCAKERBSA-N 1 0 211.334 1.325 10 0 BDAERO COC(=O)[C@@H](N)[C@@H](C)Oc1ccccc1Cl ZINC000169726737 385418556 /nfs/dbraw/zinc/41/85/56/385418556.db2.gz XGCQEASCQUKHDJ-XCBNKYQSSA-N 1 0 243.690 1.608 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)c1 ZINC000160228065 385421840 /nfs/dbraw/zinc/42/18/40/385421840.db2.gz BJYKGTKLXPBFRA-NXEZZACHSA-N 1 0 249.314 1.229 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccsc2)C1 ZINC000170863442 385450907 /nfs/dbraw/zinc/45/09/07/385450907.db2.gz ZGBVTSHTOGBZHH-LLVKDONJSA-N 1 0 238.356 1.453 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ncnn1C ZINC000335608018 385437284 /nfs/dbraw/zinc/43/72/84/385437284.db2.gz WEDUEXWERSOLJC-RKDXNWHRSA-N 1 0 208.309 1.654 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000171047915 385464582 /nfs/dbraw/zinc/46/45/82/385464582.db2.gz VMFRGKZKOHRSOY-MFKMUULPSA-N 1 0 232.327 1.886 10 0 BDAERO C[C@@H]1CS[C@@]2(CC[N@H+](C)[C@H](C)C2)N1 ZINC000156983429 385478914 /nfs/dbraw/zinc/47/89/14/385478914.db2.gz ZFGVOHFYUDSZBE-OPRDCNLKSA-N 1 0 200.351 1.522 10 0 BDAERO Cc1cccc(NC[C@@H]2CC[N@H+](CCCO)C2)n1 ZINC000171651461 385503517 /nfs/dbraw/zinc/50/35/17/385503517.db2.gz JFNNFODAYLYUHQ-ZDUSSCGKSA-N 1 0 249.358 1.506 10 0 BDAERO CCc1cc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)ccc1C ZINC000302334766 385513620 /nfs/dbraw/zinc/51/36/20/385513620.db2.gz SSXUBCWRBJTSSX-CHWSQXEVSA-N 1 0 248.326 1.219 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCOc1ccccc1 ZINC000282242802 385539430 /nfs/dbraw/zinc/53/94/30/385539430.db2.gz GBTMJHNILGBFPS-WCQYABFASA-N 1 0 248.326 1.322 10 0 BDAERO FC1(F)CCC[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000307152726 385662383 /nfs/dbraw/zinc/66/23/83/385662383.db2.gz AMKDIYGKYKBDCE-BDAKNGLRSA-N 1 0 204.264 1.373 10 0 BDAERO [NH3+]Cc1nc2ncccc2n1Cc1ccccc1 ZINC000253563318 385682175 /nfs/dbraw/zinc/68/21/75/385682175.db2.gz FHQRWVYAXLRLGB-UHFFFAOYSA-N 1 0 238.294 1.938 10 0 BDAERO Cc1cnc(N2C[C@H](C)[C@H]([NH+](C)C)C2)nc1 ZINC000270305905 385695637 /nfs/dbraw/zinc/69/56/37/385695637.db2.gz REQJHDWCNUHFCK-WDEREUQCSA-N 1 0 220.320 1.171 10 0 BDAERO Cc1cnc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)nc1 ZINC000270305903 385696121 /nfs/dbraw/zinc/69/61/21/385696121.db2.gz REQJHDWCNUHFCK-QWRGUYRKSA-N 1 0 220.320 1.171 10 0 BDAERO CS(=O)(=O)C[C@H]([NH2+]Cc1ccoc1)C1CC1 ZINC000284038639 385743111 /nfs/dbraw/zinc/74/31/11/385743111.db2.gz JTCNRLDUZORTOU-NSHDSACASA-N 1 0 243.328 1.192 10 0 BDAERO COC[C@H]1CCCCN(CC[NH2+]C(C)C)C1 ZINC000309635210 385757861 /nfs/dbraw/zinc/75/78/61/385757861.db2.gz JCRXZLRVIYQIAH-ZDUSSCGKSA-N 1 0 228.380 1.733 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N(Cc1ccccn1)C1CC1 ZINC000062114675 385761342 /nfs/dbraw/zinc/76/13/42/385761342.db2.gz HSVGJMJLRSHYGG-LLVKDONJSA-N 1 0 245.326 1.182 10 0 BDAERO C[C@@H]([NH2+]Cc1cncc(F)c1)[C@@H]1CCCO1 ZINC000230938692 385770153 /nfs/dbraw/zinc/77/01/53/385770153.db2.gz SIEJUMBFWDFUGP-SKDRFNHKSA-N 1 0 224.279 1.878 10 0 BDAERO c1nc(N2CCCCC2)nc2c1CC[NH2+]C2 ZINC000215683667 385848198 /nfs/dbraw/zinc/84/81/98/385848198.db2.gz WRCNLMCHIYBPJZ-UHFFFAOYSA-N 1 0 218.304 1.113 10 0 BDAERO CO[C@@H]1COCC[C@@]12[NH2+]C[C@H](C)CS2 ZINC000307314293 385848592 /nfs/dbraw/zinc/84/85/92/385848592.db2.gz VIZPYMGSBJGDBW-AEJSXWLSSA-N 1 0 217.334 1.091 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@H]1c1ccc(C)cc1 ZINC000215988953 385855256 /nfs/dbraw/zinc/85/52/56/385855256.db2.gz ROFCTNBPHUFVEO-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@@H]1c1ccccc1C ZINC000215990350 385855669 /nfs/dbraw/zinc/85/56/69/385855669.db2.gz BKLKSUIVDTXUPT-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CSC1(C)C ZINC000393857167 385892754 /nfs/dbraw/zinc/89/27/54/385892754.db2.gz VRGMOVKIZZLYNG-GMTAPVOTSA-N 1 0 244.404 1.237 10 0 BDAERO C[C@H]1CC[C@@](C[NH3+])(N2CCC2)CS1 ZINC000575535527 385901304 /nfs/dbraw/zinc/90/13/04/385901304.db2.gz WYCBHQGQRKYWKJ-UWVGGRQHSA-N 1 0 200.351 1.305 10 0 BDAERO C[C@@H](CC1CC1)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336746601 385956986 /nfs/dbraw/zinc/95/69/86/385956986.db2.gz RNBFGVXVLXZECF-ONGXEEELSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000336727695 386001597 /nfs/dbraw/zinc/00/15/97/386001597.db2.gz WBCLTXKTABMHQN-MJBXVCDLSA-N 1 0 241.375 1.774 10 0 BDAERO C[NH2+][C@H](C)CNc1cc(C(C)(C)C)ncn1 ZINC000309331673 386007562 /nfs/dbraw/zinc/00/75/62/386007562.db2.gz SNDDPMXIVJHKES-SECBINFHSA-N 1 0 222.336 1.794 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCN(C)C)C1(C)C ZINC000336752104 386012324 /nfs/dbraw/zinc/01/23/24/386012324.db2.gz FUMAWWCNPJZQSH-OUAUKWLOSA-N 1 0 214.353 1.197 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCN(C)C)C1(C)C ZINC000336752091 386012895 /nfs/dbraw/zinc/01/28/95/386012895.db2.gz FUMAWWCNPJZQSH-GARJFASQSA-N 1 0 214.353 1.197 10 0 BDAERO C[NH2+][C@H]1CCN(C2CSC2)C[C@H]1C ZINC000575565090 386056694 /nfs/dbraw/zinc/05/66/94/386056694.db2.gz CLGLAHHNBGDJPS-SCZZXKLOSA-N 1 0 200.351 1.032 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)F ZINC000253184273 386071926 /nfs/dbraw/zinc/07/19/26/386071926.db2.gz NELXAXGZHDIZMC-RNFRBKRXSA-N 1 0 221.247 1.429 10 0 BDAERO C[C@H]([NH2+]CCn1cncn1)C1CCSCC1 ZINC000336728827 386085749 /nfs/dbraw/zinc/08/57/49/386085749.db2.gz CSIBNCIYRAMTHG-JTQLQIEISA-N 1 0 240.376 1.399 10 0 BDAERO C[C@H](CF)Nc1ncnc(N)c1Br ZINC000575572510 386160315 /nfs/dbraw/zinc/16/03/15/386160315.db2.gz OYWWBRKQXGJFJR-SCSAIBSYSA-N 1 0 249.087 1.591 10 0 BDAERO C1C[C@@H](S[C@@H]2CCCC[NH2+]C2)CO1 ZINC000575575259 386176519 /nfs/dbraw/zinc/17/65/19/386176519.db2.gz FBBHUJCWBUCOON-NXEZZACHSA-N 1 0 201.335 1.651 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cnc2ccccc2c1 ZINC000310639069 386220838 /nfs/dbraw/zinc/22/08/38/386220838.db2.gz ARYDDFZYVVLMHA-SNVBAGLBSA-N 1 0 243.310 1.573 10 0 BDAERO C[C@@H]1CN[C@@]2(CCC[NH2+]CC2)SC1 ZINC000575576870 386196242 /nfs/dbraw/zinc/19/62/42/386196242.db2.gz VYPXHASEMWSMNY-ZJUUUORDSA-N 1 0 200.351 1.429 10 0 BDAERO C[C@@H]1C[C@H](N2C[C@@H]([NH3+])C[C@@H]2C)CS1 ZINC000575593057 386358894 /nfs/dbraw/zinc/35/88/94/386358894.db2.gz VMGHHFNQADQFJQ-JXUBOQSCSA-N 1 0 200.351 1.302 10 0 BDAERO FC1(F)CCCC[C@H]1CN1CC[NH2+]CC1 ZINC000327595559 386469246 /nfs/dbraw/zinc/46/92/46/386469246.db2.gz HSIUNGXALYSQJK-JTQLQIEISA-N 1 0 218.291 1.717 10 0 BDAERO CC(C)(C)CC[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000187708664 386584357 /nfs/dbraw/zinc/58/43/57/386584357.db2.gz MRHBVEZSVYERQN-ZDUSSCGKSA-N 1 0 242.407 1.859 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cccc(N)n1 ZINC000616599880 386531944 /nfs/dbraw/zinc/53/19/44/386531944.db2.gz YJFUHXMVNASFFA-GFCCVEGCSA-N 1 0 235.331 1.836 10 0 BDAERO Cc1nnc(SC[C@@H]2CC[NH2+]C2)s1 ZINC000051891046 386626009 /nfs/dbraw/zinc/62/60/09/386626009.db2.gz FKVLCXWUNOIHDQ-SSDOTTSWSA-N 1 0 215.347 1.548 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCc1cccs1 ZINC000335499683 386626007 /nfs/dbraw/zinc/62/60/07/386626007.db2.gz JUEJJTOFMJPIDY-KOLCDFICSA-N 1 0 238.356 1.629 10 0 BDAERO COCc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000335499856 386627901 /nfs/dbraw/zinc/62/79/01/386627901.db2.gz LSSLEIBBMWMRKV-MFKMUULPSA-N 1 0 248.326 1.395 10 0 BDAERO C[C@](O)(C[N@@H+]1C[C@H]2CCC[C@H]21)C(F)(F)F ZINC000337179548 386635444 /nfs/dbraw/zinc/63/54/44/386635444.db2.gz LHNVDANULNIWEI-HLTSFMKQSA-N 1 0 223.238 1.784 10 0 BDAERO Clc1sccc1CNC1=[NH+]CCN1 ZINC000307415103 386645331 /nfs/dbraw/zinc/64/53/31/386645331.db2.gz XMTCOTQRKMZMHB-UHFFFAOYSA-N 1 0 215.709 1.450 10 0 BDAERO NC(=O)c1cccc([C@H]2CCCC[N@@H+]2CCO)c1 ZINC000616614503 386647041 /nfs/dbraw/zinc/64/70/41/386647041.db2.gz SEOBLMWUAYXVMD-CYBMUJFWSA-N 1 0 248.326 1.305 10 0 BDAERO Cc1nc(CN[C@H](C)[C@H]2CC[NH2+]C2)sc1C ZINC000415082508 386599311 /nfs/dbraw/zinc/59/93/11/386599311.db2.gz OMHULAOSKHUOSW-KOLCDFICSA-N 1 0 239.388 1.848 10 0 BDAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000050394606 386674868 /nfs/dbraw/zinc/67/48/68/386674868.db2.gz KJIARKJQMRQDGO-UONOGXRCSA-N 1 0 244.338 1.932 10 0 BDAERO CC[C@H](O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000247384515 386711377 /nfs/dbraw/zinc/71/13/77/386711377.db2.gz PIGTWTSQBYTPTC-STQMWFEESA-N 1 0 249.358 1.586 10 0 BDAERO [NH3+]CC1(c2ncc(Br)cc2F)CC1 ZINC000307496966 386688905 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ZINC000425340760 386842537 /nfs/dbraw/zinc/84/25/37/386842537.db2.gz FHYZZWUQMKPNKF-WDEREUQCSA-N 1 0 225.361 1.675 10 0 BDAERO [NH3+]C1(c2ccsn2)CCSCC1 ZINC000575454456 386843521 /nfs/dbraw/zinc/84/35/21/386843521.db2.gz JELWUQDLLJQFIJ-UHFFFAOYSA-N 1 0 200.332 1.824 10 0 BDAERO Clc1ccc(CN[C@H]2CC[NH2+]C2)nc1 ZINC000334786585 386847866 /nfs/dbraw/zinc/84/78/66/386847866.db2.gz WDFSMJLIGSERAK-JTQLQIEISA-N 1 0 211.696 1.187 10 0 BDAERO CC[C@H]([NH2+]CCNC(=O)C1CC1)C(C)(C)C ZINC000336675581 386852178 /nfs/dbraw/zinc/85/21/78/386852178.db2.gz BLSGNNRMVMNEHB-NSHDSACASA-N 1 0 226.364 1.927 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2cn(C)nn2)C[C@@H](C)O1 ZINC000341495904 386911337 /nfs/dbraw/zinc/91/13/37/386911337.db2.gz YVHFTNLMVPFZDV-NXEZZACHSA-N 1 0 238.335 1.108 10 0 BDAERO CC(C)C(=O)Nc1ccccc1OCC[NH3+] ZINC000036987948 166731312 /nfs/dbraw/zinc/73/13/12/166731312.db2.gz KPJDIBKPQUOJOW-UHFFFAOYSA-N 1 0 222.288 1.619 10 0 BDAERO Cn1nccc1CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398760414 386986209 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387179012 /nfs/dbraw/zinc/17/90/12/387179012.db2.gz WOWRNIFONSKNIL-WCQYABFASA-N 1 0 240.347 1.014 10 0 BDAERO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CSC1(C)C ZINC000575481943 387181268 /nfs/dbraw/zinc/18/12/68/387181268.db2.gz QMSVNNOTVANJAH-HRDYMLBCSA-N 1 0 201.335 1.505 10 0 BDAERO C[C@@H]1C[C@@H](N)C[N@@H+]1C[C@H]1CCSC1 ZINC000575588317 387184210 /nfs/dbraw/zinc/18/42/10/387184210.db2.gz AJDDXYGNDHXMGQ-OPRDCNLKSA-N 1 0 200.351 1.161 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2c(C)cccc2C)C1 ZINC000284724094 387213983 /nfs/dbraw/zinc/21/39/83/387213983.db2.gz WGVACUNDDDSMKN-UONOGXRCSA-N 1 0 249.354 1.885 10 0 BDAERO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000424620799 387222388 /nfs/dbraw/zinc/22/23/88/387222388.db2.gz ORJYKFANGJRMKG-IVZWLZJFSA-N 1 0 217.378 1.877 10 0 BDAERO C[C@H]1C[NH2+]C[C@]2(CCCSCC2)O1 ZINC000575484898 387253084 /nfs/dbraw/zinc/25/30/84/387253084.db2.gz JMUGQQYFICBNJZ-VHSXEESVSA-N 1 0 201.335 1.651 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1nc(Cl)cs1 ZINC000575593246 387225484 /nfs/dbraw/zinc/22/54/84/387225484.db2.gz ZNCYZGYWWZOVIQ-NTSWFWBYSA-N 1 0 217.725 1.722 10 0 BDAERO CCOC[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000120354707 387231857 /nfs/dbraw/zinc/23/18/57/387231857.db2.gz UDVQCRHTSYLVED-CHWSQXEVSA-N 1 0 230.396 1.977 10 0 BDAERO CC(C)=CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000300744524 387240934 /nfs/dbraw/zinc/24/09/34/387240934.db2.gz LRFNKHGTKZOIIJ-GFCCVEGCSA-N 1 0 222.332 1.649 10 0 BDAERO C[C@]1(O)CC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000230202697 387247669 /nfs/dbraw/zinc/24/76/69/387247669.db2.gz AKZOADIKCSHSAE-JSGCOSHPSA-N 1 0 233.311 1.447 10 0 BDAERO CC(C)COCC[NH2+][C@@H]1CCO[C@H]1C ZINC000120598524 387254090 /nfs/dbraw/zinc/25/40/90/387254090.db2.gz YDELOFNKZUJISV-WDEREUQCSA-N 1 0 201.310 1.426 10 0 BDAERO CCS[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2C[C@H]1O ZINC000575485416 387254430 /nfs/dbraw/zinc/25/44/30/387254430.db2.gz OPDLQOSGGDMSKW-SGIHWFKDSA-N 1 0 201.335 1.098 10 0 BDAERO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)OC(C)(C)C 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387854447 /nfs/dbraw/zinc/85/44/47/387854447.db2.gz GRASJRVIMOTHSG-ZDUSSCGKSA-N 1 0 238.375 1.726 10 0 BDAERO Cc1cc(C)c(N2C[C@@H]([NH3+])CC2=O)c(C)c1 ZINC000035679620 177865198 /nfs/dbraw/zinc/86/51/98/177865198.db2.gz ZPLNGLSNWMJWAN-NSHDSACASA-N 1 0 218.300 1.676 10 0 BDAERO Cc1cc(C)c(C[C@H](C[NH3+])CO)c(C)c1 ZINC000019407875 177863582 /nfs/dbraw/zinc/86/35/82/177863582.db2.gz ZQTFJRKQNSEXHJ-GFCCVEGCSA-N 1 0 207.317 1.722 10 0 BDAERO COCCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195054253 387901493 /nfs/dbraw/zinc/90/14/93/387901493.db2.gz AAGJKWDLGNVFJM-GFCCVEGCSA-N 1 0 240.347 1.110 10 0 BDAERO CCOCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195513349 387921202 /nfs/dbraw/zinc/92/12/02/387921202.db2.gz UJSROCIKLIIZQR-UHFFFAOYSA-N 1 0 223.320 1.626 10 0 BDAERO CC[N@@H+]1CC[C@@]2(C1)NCC[C@H](C)S2 ZINC000306154637 387926985 /nfs/dbraw/zinc/92/69/85/387926985.db2.gz BLMHQQYZGCTRAQ-VHSXEESVSA-N 1 0 200.351 1.523 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCNC1=O)[C@@H]1C[C@H]1C ZINC000321155551 387952573 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OC[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000085681978 388094157 /nfs/dbraw/zinc/09/41/57/388094157.db2.gz MCFPFSMITYQUJK-AAEUAGOBSA-N 1 0 233.311 1.304 10 0 BDAERO CC(C)[C@@H]([NH3+])[C@H](O)c1cc(F)ccc1F ZINC000071519237 388097729 /nfs/dbraw/zinc/09/77/29/388097729.db2.gz VKXYHYGDRKMRDK-GHMZBOCLSA-N 1 0 215.243 1.982 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447849189 388097918 /nfs/dbraw/zinc/09/79/18/388097918.db2.gz OUXXSUSGVGEFCA-WCQYABFASA-N 1 0 229.364 1.894 10 0 BDAERO Cn1nccc1-c1cccc(CC[NH3+])c1 ZINC000313938902 388100144 /nfs/dbraw/zinc/10/01/44/388100144.db2.gz WXFBVQGTCTUMLE-UHFFFAOYSA-N 1 0 201.273 1.588 10 0 BDAERO O[C@@H](CNCc1ccco1)C[NH+]1CCCCC1 ZINC000195422441 388163726 /nfs/dbraw/zinc/16/37/26/388163726.db2.gz NAXYQPKFLXWCOB-LBPRGKRZSA-N 1 0 238.331 1.216 10 0 BDAERO CC(C)n1ncnc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324475298 388120987 /nfs/dbraw/zinc/12/09/87/388120987.db2.gz HTVRHKRRYROOBR-SNVBAGLBSA-N 1 0 240.351 1.356 10 0 BDAERO CN(C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000646089504 388140143 /nfs/dbraw/zinc/14/01/43/388140143.db2.gz WKUMNESDURCBIS-IGHBBLSQSA-N 1 0 238.375 1.220 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646092452 388140952 /nfs/dbraw/zinc/14/09/52/388140952.db2.gz ZSYAXISYKJFKBL-HBNTYKKESA-N 1 0 235.335 1.532 10 0 BDAERO CCCC[N@H+](C)Cc1ccc(=O)n(C)c1 ZINC000065285849 388255318 /nfs/dbraw/zinc/25/53/18/388255318.db2.gz TVJRXCWXXGUHQS-UHFFFAOYSA-N 1 0 208.305 1.617 10 0 BDAERO C[NH2+][C@H]1CO[C@@]2(C1)CCCSCC2 ZINC000575518841 388356183 /nfs/dbraw/zinc/35/61/83/388356183.db2.gz WPIOJFQTHATFFP-ZJUUUORDSA-N 1 0 201.335 1.651 10 0 BDAERO C[NH2+][C@@H]1CO[C@]2(C1)CCCSCC2 ZINC000575518840 388356310 /nfs/dbraw/zinc/35/63/10/388356310.db2.gz WPIOJFQTHATFFP-VHSXEESVSA-N 1 0 201.335 1.651 10 0 BDAERO C[C@H]1CCC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000230173948 388362782 /nfs/dbraw/zinc/36/27/82/388362782.db2.gz OMFQSGFAIYJJRG-WDEREUQCSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@@]1(C[NH3+])CCN(c2ncnc3c2CCC3)C1 ZINC000235418547 388368648 /nfs/dbraw/zinc/36/86/48/388368648.db2.gz BZHPRPSDYQJDTH-ZDUSSCGKSA-N 1 0 232.331 1.140 10 0 BDAERO C[C@@H]1CCS[C@@]2(CC[N@@H+]3CCC[C@H]32)N1 ZINC000228032403 388376640 /nfs/dbraw/zinc/37/66/40/388376640.db2.gz OLJLTEKYPDIBRQ-OUAUKWLOSA-N 1 0 212.362 1.666 10 0 BDAERO CCCn1ncc(C2=CCC[N@H+](C)C2)n1 ZINC000013739810 388405921 /nfs/dbraw/zinc/40/59/21/388405921.db2.gz ZYLDIOUZTVCBBN-UHFFFAOYSA-N 1 0 206.293 1.407 10 0 BDAERO CCCn1nccc1C[NH2+]CC1CC(O)C1 ZINC000164850668 388387053 /nfs/dbraw/zinc/38/70/53/388387053.db2.gz CSFPWAQYSZMJFV-UHFFFAOYSA-N 1 0 223.320 1.154 10 0 BDAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CCOC1(C)C ZINC000336906549 388442397 /nfs/dbraw/zinc/44/23/97/388442397.db2.gz XYRONSLWTGZGKW-MNOVXSKESA-N 1 0 245.363 1.320 10 0 BDAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CCOC1(C)C ZINC000336906548 388442609 /nfs/dbraw/zinc/44/26/09/388442609.db2.gz XYRONSLWTGZGKW-GHMZBOCLSA-N 1 0 245.363 1.320 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1CCSCC1 ZINC000335439660 388451021 /nfs/dbraw/zinc/45/10/21/388451021.db2.gz VWRFHUOMPWWFNR-SCZZXKLOSA-N 1 0 228.361 1.078 10 0 BDAERO C[C@]1(CNC(=O)[C@@]2(C)CCCC[NH2+]2)CCOC1 ZINC000335801319 388453537 /nfs/dbraw/zinc/45/35/37/388453537.db2.gz KOSKGMSTOTWISG-CHWSQXEVSA-N 1 0 240.347 1.061 10 0 BDAERO COc1ccc([C@H](C)C(=O)NC[C@H](C)[NH3+])cc1 ZINC000194918893 388455957 /nfs/dbraw/zinc/45/59/57/388455957.db2.gz OHRYUJLZJRXZKP-UWVGGRQHSA-N 1 0 236.315 1.262 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNC(=O)O2)[C@H]1C ZINC000309598909 388459127 /nfs/dbraw/zinc/45/91/27/388459127.db2.gz JIZUAFNDASCGMF-RCWTZXSCSA-N 1 0 226.320 1.509 10 0 BDAERO CCc1cc(N[C@@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000649246406 388467656 /nfs/dbraw/zinc/46/76/56/388467656.db2.gz XLSLYXCBKAFVMG-YPMHNXCESA-N 1 0 220.316 1.781 10 0 BDAERO CCc1cc(N[C@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000649246403 388467707 /nfs/dbraw/zinc/46/77/07/388467707.db2.gz XLSLYXCBKAFVMG-AAEUAGOBSA-N 1 0 220.316 1.781 10 0 BDAERO CCc1cc(N[C@@H]2CCC[C@@H](O)C2)cc[nH+]1 ZINC000649246404 388468008 /nfs/dbraw/zinc/46/80/08/388468008.db2.gz XLSLYXCBKAFVMG-DGCLKSJQSA-N 1 0 220.316 1.781 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCn1ccnc1 ZINC000296086032 388416558 /nfs/dbraw/zinc/41/65/58/388416558.db2.gz HFRPVTYXOKVUDI-NEPJUHHUSA-N 1 0 223.320 1.118 10 0 BDAERO [NH3+]Cc1cnnn1-c1ccc(C(F)(F)F)cc1 ZINC000070460941 388436685 /nfs/dbraw/zinc/43/66/85/388436685.db2.gz WIIDTAWYQLLWJQ-UHFFFAOYSA-N 1 0 242.204 1.745 10 0 BDAERO Cc1cc(-n2nncc2C[NH3+])ccc1F ZINC000070460946 388436800 /nfs/dbraw/zinc/43/68/00/388436800.db2.gz CQXNPDKNRQBECO-UHFFFAOYSA-N 1 0 206.224 1.174 10 0 BDAERO Cc1c(CN[C@H](C)C[N@H+](C)C(C)C)cnn1C ZINC000353100515 388540846 /nfs/dbraw/zinc/54/08/46/388540846.db2.gz ZESBSOHECAGBFH-LLVKDONJSA-N 1 0 238.379 1.547 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCC(CCOC)CC1 ZINC000528577817 388547941 /nfs/dbraw/zinc/54/79/41/388547941.db2.gz RFBHOTTYFKHVQS-ZDUSSCGKSA-N 1 0 229.364 1.896 10 0 BDAERO COC[C@H](C)[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000034936855 388492857 /nfs/dbraw/zinc/49/28/57/388492857.db2.gz MEXIMSZYETZZMI-WDEREUQCSA-N 1 0 242.363 1.448 10 0 BDAERO CN(c1ccnc2cccnc21)C1C[NH2+]C1 ZINC000341015985 388494543 /nfs/dbraw/zinc/49/45/43/388494543.db2.gz NIHBHHABZXTUAI-UHFFFAOYSA-N 1 0 214.272 1.038 10 0 BDAERO C[C@H](CCO)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000397781586 388498752 /nfs/dbraw/zinc/49/87/52/388498752.db2.gz OXFMQEMKUSHTHX-RVMXOQNASA-N 1 0 241.375 1.798 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](C/C=C/c2ccccc2)C1 ZINC000344093647 388504604 /nfs/dbraw/zinc/50/46/04/388504604.db2.gz GPJXKDGDMZDMEJ-VZLFFANISA-N 1 0 247.338 1.781 10 0 BDAERO CCC[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)OC ZINC000378833496 388517656 /nfs/dbraw/zinc/51/76/56/388517656.db2.gz TZSWPTMSIGWCGT-WDEREUQCSA-N 1 0 217.353 1.798 10 0 BDAERO CCCCNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000136143154 388524399 /nfs/dbraw/zinc/52/43/99/388524399.db2.gz CTMIPOOGGHNRSZ-LLVKDONJSA-N 1 0 227.352 1.570 10 0 BDAERO C[C@@]1(C(=O)N2CCCCC2)CCCC[NH2+]1 ZINC000136191997 388526198 /nfs/dbraw/zinc/52/61/98/388526198.db2.gz WXHUTDOSGICDHZ-LBPRGKRZSA-N 1 0 210.321 1.531 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]CCCc1ccncc1 ZINC000348188445 388526785 /nfs/dbraw/zinc/52/67/85/388526785.db2.gz LAABTAUUFTYTIK-DGCLKSJQSA-N 1 0 220.316 1.781 10 0 BDAERO CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079440981 388533686 /nfs/dbraw/zinc/53/36/86/388533686.db2.gz FEDMCGXZJBTQIL-SNVBAGLBSA-N 1 0 215.341 1.282 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)c2nccn21 ZINC000379165301 388592928 /nfs/dbraw/zinc/59/29/28/388592928.db2.gz NJMIETIERAXPCU-AGVGLQIMSA-N 1 0 221.304 1.249 10 0 BDAERO [NH3+]C[C@@H]1CCCN(c2ccnc3cccnc32)C1 ZINC000379200184 388598671 /nfs/dbraw/zinc/59/86/71/388598671.db2.gz HOEXBANVVOYHKA-NSHDSACASA-N 1 0 242.326 1.805 10 0 BDAERO CC1CCC(C[N@@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000184010794 388573911 /nfs/dbraw/zinc/57/39/11/388573911.db2.gz KBYZHLWWFHDYTR-FIYWTHMPSA-N 1 0 227.348 1.240 10 0 BDAERO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000245471584 388582407 /nfs/dbraw/zinc/58/24/07/388582407.db2.gz OBCHSPGVAQHPTP-WDEREUQCSA-N 1 0 244.404 1.679 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CC2CCCC2)C1 ZINC000104359876 388582656 /nfs/dbraw/zinc/58/26/56/388582656.db2.gz QKDFCMUNGXTDAE-VXGBXAGGSA-N 1 0 240.347 1.012 10 0 BDAERO CN(C)c1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000104319416 388582660 /nfs/dbraw/zinc/58/26/60/388582660.db2.gz WBGAXTPGCCZHAY-ZDUSSCGKSA-N 1 0 247.342 1.220 10 0 BDAERO Cc1cc(Br)ccc1C[C@H](O)C[NH3+] ZINC000071558643 177722575 /nfs/dbraw/zinc/72/25/75/177722575.db2.gz NBOZYVCRTNSNBU-JTQLQIEISA-N 1 0 244.132 1.620 10 0 BDAERO CC[C@@H](O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000086189613 388683391 /nfs/dbraw/zinc/68/33/91/388683391.db2.gz ZVSLJPWMLFJYDJ-NWDGAFQWSA-N 1 0 214.353 1.173 10 0 BDAERO CCC(CC)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189079825 388618752 /nfs/dbraw/zinc/61/87/52/388618752.db2.gz SBVGAOUDMYEWMI-SNVBAGLBSA-N 1 0 212.337 1.633 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CC[C@@H]1CCCO1 ZINC000189495934 388634594 /nfs/dbraw/zinc/63/45/94/388634594.db2.gz DJHVMIYVMUCGJZ-KBPBESRZSA-N 1 0 240.391 1.972 10 0 BDAERO COC[C@H](C)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246489269 388639593 /nfs/dbraw/zinc/63/95/93/388639593.db2.gz MAUWKSARUNZHPP-NEPJUHHUSA-N 1 0 212.337 1.049 10 0 BDAERO c1ccc([C@H]2C[N@@H+]3CCC[C@@H]3CN2)cc1 ZINC000062568931 388653504 /nfs/dbraw/zinc/65/35/04/388653504.db2.gz VVTXUMOBQPCULI-CHWSQXEVSA-N 1 0 202.301 1.795 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCF ZINC000123902821 388658901 /nfs/dbraw/zinc/65/89/01/388658901.db2.gz GFGZCTTWAYHXEX-LLVKDONJSA-N 1 0 245.342 1.472 10 0 BDAERO COc1c(C[NH2+]C[C@H](C)SC)c(C)nn1C ZINC000128074560 388737895 /nfs/dbraw/zinc/73/78/95/388737895.db2.gz MTAHJQJWSZDXID-QMMMGPOBSA-N 1 0 243.376 1.578 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)OCC2CC2)C1 ZINC000248731834 388690575 /nfs/dbraw/zinc/69/05/75/388690575.db2.gz LLZQZVFPTQWGHE-CMPLNLGQSA-N 1 0 240.347 1.851 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)OCC2CC2)C1 ZINC000248731839 388690613 /nfs/dbraw/zinc/69/06/13/388690613.db2.gz LLZQZVFPTQWGHE-ZYHUDNBSSA-N 1 0 240.347 1.851 10 0 BDAERO C[NH2+]C[C@H]1CCCN(C)[C@H]1c1cncn1C ZINC000250705347 388700728 /nfs/dbraw/zinc/70/07/28/388700728.db2.gz DTXKSRFYXPSZIY-ZYHUDNBSSA-N 1 0 222.336 1.022 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000521399066 388704414 /nfs/dbraw/zinc/70/44/14/388704414.db2.gz XLKQNJITZONLDY-BXKDBHETSA-N 1 0 226.320 1.735 10 0 BDAERO CC(C)OC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000127591925 388727033 /nfs/dbraw/zinc/72/70/33/388727033.db2.gz HNHNBJBKEOWPIB-ZJUUUORDSA-N 1 0 214.309 1.413 10 0 BDAERO CN(Cc1ccccc1)[C@H]1CC[NH2+]C[C@@H]1F ZINC000575458651 388800713 /nfs/dbraw/zinc/80/07/13/388800713.db2.gz KMNKVEKMMUFWDN-STQMWFEESA-N 1 0 222.307 1.818 10 0 BDAERO C[C@@H]([C@@H]1CCC[NH2+]1)n1nncc1Br ZINC000575459402 388805794 /nfs/dbraw/zinc/80/57/94/388805794.db2.gz ZKIDMUDRCYFSPO-BQBZGAKWSA-N 1 0 245.124 1.354 10 0 BDAERO C[C@H](CO)[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000252817706 388785330 /nfs/dbraw/zinc/78/53/30/388785330.db2.gz YKHOTNLLCOWXRR-ZYHUDNBSSA-N 1 0 205.301 1.639 10 0 BDAERO C[NH2+]Cc1snc(OC)c1Br ZINC000575463410 388829211 /nfs/dbraw/zinc/82/92/11/388829211.db2.gz ZWHROXYSJTXVKT-UHFFFAOYSA-N 1 0 237.122 1.634 10 0 BDAERO C[C@H]1CSC[C@@]1([NH3+])c1cscn1 ZINC000575463865 388831684 /nfs/dbraw/zinc/83/16/84/388831684.db2.gz GNGMSKXXKDEZIT-XPUUQOCRSA-N 1 0 200.332 1.680 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)c1cscn1 ZINC000229130370 388834216 /nfs/dbraw/zinc/83/42/16/388834216.db2.gz UZWKIXAAWXROKG-UEJVZZJDSA-N 1 0 212.318 1.565 10 0 BDAERO C[C@@H]([NH3+])COc1nc(Br)cs1 ZINC000575479841 388861817 /nfs/dbraw/zinc/86/18/17/388861817.db2.gz IEKKBDZZPOZCRU-SCSAIBSYSA-N 1 0 237.122 1.632 10 0 BDAERO [NH3+][C@@]1(Cc2cnsn2)CCCSC1 ZINC000575470487 388847467 /nfs/dbraw/zinc/84/74/67/388847467.db2.gz RHSBFTWVGQRFNQ-MRVPVSSYSA-N 1 0 215.347 1.305 10 0 BDAERO [NH3+][C@@H]1CC[C@](F)(Cc2ccns2)C1 ZINC000575489713 388896132 /nfs/dbraw/zinc/89/61/32/388896132.db2.gz IGFYYNWWLZAORI-VXNVDRBHSA-N 1 0 200.282 1.905 10 0 BDAERO FCCCCC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404142847 388949515 /nfs/dbraw/zinc/94/95/15/388949515.db2.gz HCFRXOYXKNQXPY-NEPJUHHUSA-N 1 0 230.327 1.189 10 0 BDAERO CC1CN([C@@]2(C[NH3+])CSC[C@@H]2C)C1 ZINC000575494713 388954814 /nfs/dbraw/zinc/95/48/14/388954814.db2.gz XMDRXUNRRZMKGX-UWVGGRQHSA-N 1 0 200.351 1.019 10 0 BDAERO CC1(C)CCSC[C@]12C[C@H]([NH3+])CO2 ZINC000575508732 389002409 /nfs/dbraw/zinc/00/24/09/389002409.db2.gz OCPPSKWBSLWTOD-WCBMZHEXSA-N 1 0 201.335 1.636 10 0 BDAERO C[C@@](O)(C[NH3+])c1cncc(Br)c1 ZINC000575499442 388989886 /nfs/dbraw/zinc/98/98/86/388989886.db2.gz LAXKCNUTERLHME-MRVPVSSYSA-N 1 0 231.093 1.010 10 0 BDAERO C[C@@H]1C[C@@H](c2cc(Br)nn2C)C[NH2+]1 ZINC000575502104 388990450 /nfs/dbraw/zinc/99/04/50/388990450.db2.gz NBDMKJFYJMDHIO-RNFRBKRXSA-N 1 0 244.136 1.648 10 0 BDAERO [NH3+]C1CC(C(=O)c2occc2Br)C1 ZINC000575506202 388992169 /nfs/dbraw/zinc/99/21/69/388992169.db2.gz HJTQLTVDOZWJFG-UHFFFAOYSA-N 1 0 244.088 1.962 10 0 BDAERO Cc1cc(N2C[C@@H](C)O[C@H](C)C2)[nH+]cc1N ZINC000036250865 132341637 /nfs/dbraw/zinc/34/16/37/132341637.db2.gz BUXXQVCOSZXBGX-NXEZZACHSA-N 1 0 221.304 1.586 10 0 BDAERO CC[NH2+]Cc1cnc(N2CCCCC2)nc1 ZINC000054855651 132365080 /nfs/dbraw/zinc/36/50/80/132365080.db2.gz ZMFCUKLFXUPBHC-UHFFFAOYSA-N 1 0 220.320 1.576 10 0 BDAERO CC(=O)c1ccc(N2CC[NH2+]CC2)c(Cl)c1 ZINC000058826122 132368640 /nfs/dbraw/zinc/36/86/40/132368640.db2.gz AQHWJXQBTGNROA-UHFFFAOYSA-N 1 0 238.718 1.952 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nccc(C)n1 ZINC000267204857 132188842 /nfs/dbraw/zinc/18/88/42/132188842.db2.gz ATPUNAIZOAOWRI-CHWSQXEVSA-N 1 0 246.358 1.848 10 0 BDAERO C[NH+]1CCN(c2nncc3ccccc32)CC1 ZINC000013777202 132243902 /nfs/dbraw/zinc/24/39/02/132243902.db2.gz HOIJQKGHMCZWPW-UHFFFAOYSA-N 1 0 228.299 1.382 10 0 BDAERO Cc1cc(C)nc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000301258373 132252362 /nfs/dbraw/zinc/25/23/62/132252362.db2.gz ULXHNWCLVPYKAP-CYBMUJFWSA-N 1 0 246.358 1.768 10 0 BDAERO CCCc1cc(N2CCC([NH3+])CC2)ncn1 ZINC000040765388 132296547 /nfs/dbraw/zinc/29/65/47/132296547.db2.gz KWSMFPCIUGDJJW-UHFFFAOYSA-N 1 0 220.320 1.357 10 0 BDAERO CC1(C)CN(c2ccnc3cccnc32)CC[NH2+]1 ZINC000341033245 132297670 /nfs/dbraw/zinc/29/76/70/132297670.db2.gz LPQUVHHAEFYKDA-UHFFFAOYSA-N 1 0 242.326 1.818 10 0 BDAERO C[C@@H]1CCCN(c2nc3c(c(NN)[nH+]2)CCC3)C1 ZINC000057328571 132300914 /nfs/dbraw/zinc/30/09/14/132300914.db2.gz VPDUZISOKOMDCR-SECBINFHSA-N 1 0 247.346 1.487 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncccn1 ZINC000301285011 132308204 /nfs/dbraw/zinc/30/82/04/132308204.db2.gz NZEOVRMGWLGDOZ-MNOVXSKESA-N 1 0 218.304 1.150 10 0 BDAERO c1cnc(N2CC[N@H+]3CCCC[C@@H]3C2)cn1 ZINC000298739313 132308418 /nfs/dbraw/zinc/30/84/18/132308418.db2.gz RPOMEMYQBFYRGU-LLVKDONJSA-N 1 0 218.304 1.151 10 0 BDAERO [NH3+]C1CCN(c2cc(F)ccc2F)CC1 ZINC000019436907 132325177 /nfs/dbraw/zinc/32/51/77/132325177.db2.gz HBWMZVPOUAKINW-UHFFFAOYSA-N 1 0 212.243 1.892 10 0 BDAERO Cc1cccc(N2CCN(CCC(N)=[NH2+])CC2)c1 ZINC000019485299 132325524 /nfs/dbraw/zinc/32/55/24/132325524.db2.gz QPNXVCGGLVFTCO-UHFFFAOYSA-N 1 0 246.358 1.443 10 0 BDAERO C[NH2+]CCN1CCN(c2ccccc2OC)CC1 ZINC000019685489 132326281 /nfs/dbraw/zinc/32/62/81/132326281.db2.gz HDUXEPDOQODVQU-UHFFFAOYSA-N 1 0 249.358 1.037 10 0 BDAERO NC(=[NH2+])c1ccc(N2CCCC[C@@H]2CCO)cc1 ZINC000019865910 132328080 /nfs/dbraw/zinc/32/80/80/132328080.db2.gz FRQFIHHDMRSNOA-GFCCVEGCSA-N 1 0 247.342 1.712 10 0 BDAERO COCCC[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265201 132330552 /nfs/dbraw/zinc/33/05/52/132330552.db2.gz PHZIIHXVEATUGR-UHFFFAOYSA-N 1 0 249.358 1.427 10 0 BDAERO [NH3+][C@H]1CCN(c2ccc(N3CCOCC3)cc2)C1 ZINC000033426930 132335786 /nfs/dbraw/zinc/33/57/86/132335786.db2.gz FBWRUQRTHBWRJG-LBPRGKRZSA-N 1 0 247.342 1.061 10 0 BDAERO COC(=O)[C@@H]([NH3+])C1CCN(c2ccccc2)CC1 ZINC000035630184 132338512 /nfs/dbraw/zinc/33/85/12/132338512.db2.gz DZGSDEYDHPFMLR-ZDUSSCGKSA-N 1 0 248.326 1.403 10 0 BDAERO CC[NH+]1CCN(c2ccccc2[C@@H](C)O)CC1 ZINC000035650497 132338840 /nfs/dbraw/zinc/33/88/40/132338840.db2.gz QGOGTZWOJDOVCV-GFCCVEGCSA-N 1 0 234.343 1.882 10 0 BDAERO CC[C@@H]1CN(c2ccc(F)cc2C[NH3+])CCO1 ZINC000036770419 132342767 /nfs/dbraw/zinc/34/27/67/132342767.db2.gz DHDDDCVWZVUJQS-GFCCVEGCSA-N 1 0 238.306 1.900 10 0 BDAERO CC[C@H](CO)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037238947 132343940 /nfs/dbraw/zinc/34/39/40/132343940.db2.gz YFVYRFXGNALDMY-PWSUYJOCSA-N 1 0 248.326 1.455 10 0 BDAERO COc1ccc(OC)c(N2CC[NH2+]C[C@@H]2C)c1 ZINC000041271016 132350117 /nfs/dbraw/zinc/35/01/17/132350117.db2.gz UORBRAZSLKSXJF-JTQLQIEISA-N 1 0 236.315 1.502 10 0 BDAERO C[NH+](C)CC1CCN(c2ccccc2CO)CC1 ZINC000042395002 132351219 /nfs/dbraw/zinc/35/12/19/132351219.db2.gz JOSULSZADCJHFO-UHFFFAOYSA-N 1 0 248.370 1.957 10 0 BDAERO CCO[C@@H]1CCCN(c2ncccc2C[NH3+])C1 ZINC000042408119 132351370 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OMNBCGFKMQLBSL-UHFFFAOYSA-N 1 0 206.293 1.817 10 0 BDAERO [NH3+]Cc1cc(N2CCSCC2)ccn1 ZINC000051396556 132360114 /nfs/dbraw/zinc/36/01/14/132360114.db2.gz RJFMVCHMCLFAPM-UHFFFAOYSA-N 1 0 209.318 1.094 10 0 BDAERO CC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000051399224 132360722 /nfs/dbraw/zinc/36/07/22/132360722.db2.gz SPLFERGPOGEUBS-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO C[NH2+]Cc1cccc(N2CCO[C@@H](C)C2)n1 ZINC000051400097 132360813 /nfs/dbraw/zinc/36/08/13/132360813.db2.gz FIVVNRZAACINJG-JTQLQIEISA-N 1 0 221.304 1.026 10 0 BDAERO CC(C)[NH2+]Cc1cc(N2CCO[C@H](C)C2)ccn1 ZINC000051400176 132361040 /nfs/dbraw/zinc/36/10/40/132361040.db2.gz FKZFGXISIMNWQK-GFCCVEGCSA-N 1 0 249.358 1.805 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCOC(C)(C)C2)c1 ZINC000051447081 132361321 /nfs/dbraw/zinc/36/13/21/132361321.db2.gz TVVSBPJAXZGYMA-UHFFFAOYSA-N 1 0 235.331 1.416 10 0 BDAERO CC[NH2+]Cc1cccnc1N1CCOC[C@@H]1CC ZINC000051446808 132361327 /nfs/dbraw/zinc/36/13/27/132361327.db2.gz UZVHEKHAKIKNBL-ZDUSSCGKSA-N 1 0 249.358 1.806 10 0 BDAERO Cc1cccnc1N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000053704098 132363110 /nfs/dbraw/zinc/36/31/10/132363110.db2.gz IMHOHZAAAOCBSL-NWDGAFQWSA-N 1 0 219.332 1.954 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ncccn1 ZINC000053706572 132363355 /nfs/dbraw/zinc/36/33/55/132363355.db2.gz ZPYNWDIBRAKWLJ-SNVBAGLBSA-N 1 0 206.293 1.055 10 0 BDAERO C[NH2+]Cc1cnc(N2CCCCC2)nc1 ZINC000054855462 132365063 /nfs/dbraw/zinc/36/50/63/132365063.db2.gz TWVHDFLLWIISAY-UHFFFAOYSA-N 1 0 206.293 1.186 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ncccc1F ZINC000054701334 132365173 /nfs/dbraw/zinc/36/51/73/132365173.db2.gz XGOWRMZPTOLZQD-SNVBAGLBSA-N 1 0 223.295 1.799 10 0 BDAERO Cc1nc(N2CCCCC2)ncc1[C@@H](C)[NH3+] ZINC000054962546 132365328 /nfs/dbraw/zinc/36/53/28/132365328.db2.gz RTGAVWFPAWVFBJ-SECBINFHSA-N 1 0 220.320 1.795 10 0 BDAERO COc1ccnc(N2CC[C@H](C)C[C@@H]2C[NH3+])n1 ZINC000235010635 132368686 /nfs/dbraw/zinc/36/86/86/132368686.db2.gz XDTHFXWOXBCZRT-VHSXEESVSA-N 1 0 236.319 1.049 10 0 BDAERO [NH3+]C1CCN(c2cnnc3ccccc32)CC1 ZINC000062202801 132387530 /nfs/dbraw/zinc/38/75/30/132387530.db2.gz SGTLORABMYPWRD-UHFFFAOYSA-N 1 0 228.299 1.557 10 0 BDAERO c1cc2c(c(N3CC[NH2+]CC3)c1)OCCC2 ZINC000062527044 132387671 /nfs/dbraw/zinc/38/76/71/132387671.db2.gz KHYGOQFBXDRXCE-UHFFFAOYSA-N 1 0 218.300 1.421 10 0 BDAERO [NH3+]Cc1ccc(Cl)cc1N1CCC(O)CC1 ZINC000062786732 132388749 /nfs/dbraw/zinc/38/87/49/132388749.db2.gz OEXDBEDMVXJQRH-UHFFFAOYSA-N 1 0 240.734 1.760 10 0 BDAERO Cc1ccnc(N2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000235339998 132390857 /nfs/dbraw/zinc/39/08/57/132390857.db2.gz BLTGOXQSFJTQTP-VXGBXAGGSA-N 1 0 219.332 1.954 10 0 BDAERO Cc1nnc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc1C ZINC000235391571 132395182 /nfs/dbraw/zinc/39/51/82/132395182.db2.gz GIYAFHLOJGRWTI-LDYMZIIASA-N 1 0 235.335 1.052 10 0 BDAERO C[C@@H]1CCN(c2ncccn2)[C@@H](C[NH3+])C1 ZINC000235388750 132395496 /nfs/dbraw/zinc/39/54/96/132395496.db2.gz NPCQWHHCZSBZMM-NXEZZACHSA-N 1 0 206.293 1.040 10 0 BDAERO Nc1cc[nH+]cc1C(=O)NCc1nccs1 ZINC000088112518 133549996 /nfs/dbraw/zinc/54/99/96/133549996.db2.gz CZYLUHFKOCDSTL-UHFFFAOYSA-N 1 0 234.284 1.050 10 0 BDAERO Cc1ccc(OCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000335499584 133868251 /nfs/dbraw/zinc/86/82/51/133868251.db2.gz HAJFVRCZBBREJR-WCQYABFASA-N 1 0 248.326 1.322 10 0 BDAERO C1OCC1NC1CC[NH+](C2CCCCC2)CC1 ZINC000336038951 134060503 /nfs/dbraw/zinc/06/05/03/134060503.db2.gz HSYYASYAGJLIIF-UHFFFAOYSA-N 1 0 238.375 1.772 10 0 BDAERO CCC1(C)CC[NH+]([C@H]2COC[C@@H]2OC)CC1 ZINC000336186892 134121486 /nfs/dbraw/zinc/12/14/86/134121486.db2.gz HNFWNMKEZUZOON-RYUDHWBXSA-N 1 0 227.348 1.912 10 0 BDAERO Cn1cncc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000177034088 134293799 /nfs/dbraw/zinc/29/37/99/134293799.db2.gz FXDKXULAICWZJY-UHFFFAOYSA-N 1 0 245.330 1.523 10 0 BDAERO CCO[C@@H]1C[C@H]([N@H+](C)CCO)C12CCCC2 ZINC000177796785 134299754 /nfs/dbraw/zinc/29/97/54/134299754.db2.gz FWXBMHHLQRSUII-NWDGAFQWSA-N 1 0 227.348 1.648 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000177697459 134301235 /nfs/dbraw/zinc/30/12/35/134301235.db2.gz COYZROMCYDEYIL-SECBINFHSA-N 1 0 212.318 1.315 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccno1)CC2 ZINC000220385255 134305972 /nfs/dbraw/zinc/30/59/72/134305972.db2.gz GAFNKUOXGOSGRW-AAEUAGOBSA-N 1 0 236.315 1.802 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(F)(F)C(F)F ZINC000178149239 134306972 /nfs/dbraw/zinc/30/69/72/134306972.db2.gz ADVRJQMBHPPJOH-RITPCOANSA-N 1 0 242.216 1.130 10 0 BDAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(C)(C)O ZINC000178324450 134308469 /nfs/dbraw/zinc/30/84/69/134308469.db2.gz KVMOWVIZIRVKBX-LBPRGKRZSA-N 1 0 237.347 1.427 10 0 BDAERO COCCC[C@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000178357140 134308644 /nfs/dbraw/zinc/30/86/44/134308644.db2.gz JKURANMQAXYQKV-WDEREUQCSA-N 1 0 238.335 1.518 10 0 BDAERO [NH3+]CC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000178760879 134310908 /nfs/dbraw/zinc/31/09/08/134310908.db2.gz ZXVXAFSZDACTOS-CQSZACIVSA-N 1 0 241.294 1.246 10 0 BDAERO CC1(C)C[C@@H]1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178768081 134311299 /nfs/dbraw/zinc/31/12/99/134311299.db2.gz IXKZQXSAGUSPKW-GFCCVEGCSA-N 1 0 236.359 1.729 10 0 BDAERO CCO[C@H]1C[C@@H]1C(=O)NC(CC)(CC)C[NH3+] ZINC000179168410 134318053 /nfs/dbraw/zinc/31/80/53/134318053.db2.gz JSXHUGMJMQKRPE-UWVGGRQHSA-N 1 0 228.336 1.045 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C1CCC1 ZINC000180602445 134330451 /nfs/dbraw/zinc/33/04/51/134330451.db2.gz YCAZNNWYHVNQDO-KOLCDFICSA-N 1 0 220.320 1.371 10 0 BDAERO CO[C@@H](C)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000182108517 134342138 /nfs/dbraw/zinc/34/21/38/134342138.db2.gz JIJHTFYORRRALH-JTQLQIEISA-N 1 0 223.320 1.624 10 0 BDAERO CCN1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000223865359 134342817 /nfs/dbraw/zinc/34/28/17/134342817.db2.gz OEIBJNPWABBFFY-GXTWGEPZSA-N 1 0 240.391 1.611 10 0 BDAERO CCC[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000223949427 134343403 /nfs/dbraw/zinc/34/34/03/134343403.db2.gz QGUIUSFDHDKMGL-RWMBFGLXSA-N 1 0 227.348 1.791 10 0 BDAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000224205260 134345514 /nfs/dbraw/zinc/34/55/14/134345514.db2.gz MIMWEKVLNOIGGS-GXFFZTMASA-N 1 0 239.363 1.786 10 0 BDAERO c1cn(CCC[N@@H+]2CCN3CCCC[C@@H]3C2)cn1 ZINC000182920134 134349630 /nfs/dbraw/zinc/34/96/30/134349630.db2.gz FNBJXDUATUOKJL-CQSZACIVSA-N 1 0 248.374 1.443 10 0 BDAERO COCC[C@H](C)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000225620492 134353016 /nfs/dbraw/zinc/35/30/16/134353016.db2.gz WGEXFBNUFRIQEG-AAEUAGOBSA-N 1 0 234.343 1.801 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCc2ccc(F)cc21 ZINC000225411355 134353490 /nfs/dbraw/zinc/35/34/90/134353490.db2.gz GWSVZMYVHAEWOT-LLVKDONJSA-N 1 0 236.290 1.842 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc[nH]n1 ZINC000184054513 134359795 /nfs/dbraw/zinc/35/97/95/134359795.db2.gz CYZRHBXBBJUWPO-QWHCGFSZSA-N 1 0 234.347 1.468 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000226382127 134364796 /nfs/dbraw/zinc/36/47/96/134364796.db2.gz ZTBYJOCBJHJSHB-SRVKXCTJSA-N 1 0 229.389 1.880 10 0 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BDAERO C[C@@H]1C[C@H]1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186518881 134422374 /nfs/dbraw/zinc/42/23/74/134422374.db2.gz FFLSGKBGWMXIEB-JFGNBEQYSA-N 1 0 222.332 1.385 10 0 BDAERO C[C@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)C1CC1 ZINC000186558209 134423352 /nfs/dbraw/zinc/42/33/52/134423352.db2.gz TXMJZUBZWJUEQB-JQWIXIFHSA-N 1 0 236.359 1.776 10 0 BDAERO CC[C@@]1(C(=O)N[C@@H](C)C2CC2)CC[NH2+]C1 ZINC000062890707 134457119 /nfs/dbraw/zinc/45/71/19/134457119.db2.gz ANYQYCFIGNGEMK-JOYOIKCWSA-N 1 0 210.321 1.291 10 0 BDAERO CC(C)n1cc(C[NH2+]C[C@H]2CCC[C@H]2O)cn1 ZINC000230702415 134533881 /nfs/dbraw/zinc/53/38/81/134533881.db2.gz MKBKJDGDYVZNOI-CHWSQXEVSA-N 1 0 237.347 1.715 10 0 BDAERO CC(C)[NH2+]CCN1CCC(n2ccnc2)CC1 ZINC000191537545 134574702 /nfs/dbraw/zinc/57/47/02/134574702.db2.gz GNWTYIWZUDXHTO-UHFFFAOYSA-N 1 0 236.363 1.518 10 0 BDAERO C[C@H]([NH3+])CCNc1nccc2occc21 ZINC000235490125 134592898 /nfs/dbraw/zinc/59/28/98/134592898.db2.gz WMTCAIHTQGXVIL-QMMMGPOBSA-N 1 0 205.261 1.977 10 0 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135239481 /nfs/dbraw/zinc/23/94/81/135239481.db2.gz LPWNTTKNAMTFCQ-IUCAKERBSA-N 1 0 246.763 1.071 10 0 BDAERO C[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCS1 ZINC000261631172 135241567 /nfs/dbraw/zinc/24/15/67/135241567.db2.gz BVDJAWCWGISASO-GARJFASQSA-N 1 0 242.388 1.468 10 0 BDAERO C[C@H](c1cccs1)N(C)C(=O)C1C[NH2+]C1 ZINC000084410181 135247172 /nfs/dbraw/zinc/24/71/72/135247172.db2.gz IENSFCNPBIWGGR-MRVPVSSYSA-N 1 0 224.329 1.487 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261733041 135248294 /nfs/dbraw/zinc/24/82/94/135248294.db2.gz OOHDKOTWDFCLEO-MROQNXINSA-N 1 0 236.359 1.491 10 0 BDAERO C[C@@H]([NH3+])CC(=O)NCc1cnc2ccccc2c1 ZINC000261742096 135248880 /nfs/dbraw/zinc/24/88/80/135248880.db2.gz IMTMDVOJHIPKNP-SNVBAGLBSA-N 1 0 243.310 1.588 10 0 BDAERO C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261799510 135253906 /nfs/dbraw/zinc/25/39/06/135253906.db2.gz QSZJFTOTUKGVGD-DDHJBXDOSA-N 1 0 224.348 1.761 10 0 BDAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])[C@@H]1COc2ccccc21 ZINC000261807645 135254279 /nfs/dbraw/zinc/25/42/79/135254279.db2.gz GGHVJEAMBWEJCM-UMNHJUIQSA-N 1 0 248.326 1.405 10 0 BDAERO O=C([C@H]1C[C@@H]1C1CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261833069 135256544 /nfs/dbraw/zinc/25/65/44/135256544.db2.gz OYWAOVPWWUTLOU-RQJABVFESA-N 1 0 248.370 1.491 10 0 BDAERO C[C@H](c1cnn(C)c1)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000262034420 135275270 /nfs/dbraw/zinc/27/52/70/135275270.db2.gz OJYKYJQUNAGERT-YPMHNXCESA-N 1 0 236.363 1.413 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccn(C(F)F)n1 ZINC000262103616 135278429 /nfs/dbraw/zinc/27/84/29/135278429.db2.gz VUXFFAJLBMQVNB-DTWKUNHWSA-N 1 0 244.289 1.460 10 0 BDAERO O=C(NCC1(c2cccc(F)c2)CC1)C1C[NH2+]C1 ZINC000262247864 135287495 /nfs/dbraw/zinc/28/74/95/135287495.db2.gz OZHASTHAPTVRAT-UHFFFAOYSA-N 1 0 248.301 1.193 10 0 BDAERO Cc1cc(C)c2c(c1)N(C(=O)C1C[NH2+]C1)CCC2 ZINC000262274625 135288894 /nfs/dbraw/zinc/28/88/94/135288894.db2.gz UMFYMGDBQLLNBM-UHFFFAOYSA-N 1 0 244.338 1.802 10 0 BDAERO C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000262540306 135304453 /nfs/dbraw/zinc/30/44/53/135304453.db2.gz RKUZOZYEBDAQRG-MVWJERBFSA-N 1 0 224.348 1.666 10 0 BDAERO CCCCCN(CCO)C(=O)[C@@](C)([NH3+])CCC ZINC000262565487 135306698 /nfs/dbraw/zinc/30/66/98/135306698.db2.gz LDYAZJCSFOYOSF-ZDUSSCGKSA-N 1 0 244.379 1.515 10 0 BDAERO [NH3+]CCN1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000262964297 135324730 /nfs/dbraw/zinc/32/47/30/135324730.db2.gz LAKYMPCIIAQXNP-KGLIPLIRSA-N 1 0 234.343 1.533 10 0 BDAERO CC[C@@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263224633 135340661 /nfs/dbraw/zinc/34/06/61/135340661.db2.gz MOSMWIFGSWDKEB-RKDXNWHRSA-N 1 0 224.308 1.159 10 0 BDAERO C[C@H](Cc1ccccc1F)NC(=O)C1C[NH2+]C1 ZINC000263232194 135341147 /nfs/dbraw/zinc/34/11/47/135341147.db2.gz AZVZFGWQVGUBBC-SECBINFHSA-N 1 0 236.290 1.092 10 0 BDAERO CCC1(c2nc([C@@H]3C[NH2+]CCN3C)no2)CC1 ZINC000263251818 135342350 /nfs/dbraw/zinc/34/23/50/135342350.db2.gz PZZDWFGIYXTDQS-VIFPVBQESA-N 1 0 236.319 1.087 10 0 BDAERO C[C@@H](NC(=O)C1C[NH2+]C1)[C@@H](C)C1CCCCC1 ZINC000263306932 135345680 /nfs/dbraw/zinc/34/56/80/135345680.db2.gz OMYFPCAGBGYVIR-GHMZBOCLSA-N 1 0 238.375 1.927 10 0 BDAERO O=C(NCCOC1CCCCCC1)C1C[NH2+]C1 ZINC000263308903 135346014 /nfs/dbraw/zinc/34/60/14/135346014.db2.gz OWAUSPXNMUMYCK-UHFFFAOYSA-N 1 0 240.347 1.061 10 0 BDAERO C[C@H](Nc1ccc2n[nH]cc2c1)[C@H]1CC[NH2+]C1 ZINC000334863267 135405534 /nfs/dbraw/zinc/40/55/34/135405534.db2.gz MKQHRPGWRGIKNW-UWVGGRQHSA-N 1 0 230.315 1.973 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000082920166 135441989 /nfs/dbraw/zinc/44/19/89/135441989.db2.gz KUSYUNQKARWEGZ-MNOVXSKESA-N 1 0 222.263 1.892 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000082921242 135442154 /nfs/dbraw/zinc/44/21/54/135442154.db2.gz CFRQOIIKTOSBJI-MNOVXSKESA-N 1 0 220.272 1.458 10 0 BDAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1ccccc1Cl ZINC000084411004 135471291 /nfs/dbraw/zinc/47/12/91/135471291.db2.gz RWEFOJLJEXXSAT-MRVPVSSYSA-N 1 0 238.718 1.737 10 0 BDAERO CC1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000085009370 135477674 /nfs/dbraw/zinc/47/76/74/135477674.db2.gz ZSPNQUZBNGGCKG-LVFLEHKBSA-N 1 0 224.348 1.809 10 0 BDAERO Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085365225 135482792 /nfs/dbraw/zinc/48/27/92/135482792.db2.gz QBFWDSVOZANKQG-CHWSQXEVSA-N 1 0 232.327 1.739 10 0 BDAERO CN(Cc1cccnc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085358625 135483142 /nfs/dbraw/zinc/48/31/42/135483142.db2.gz QJVXCCCKQZOJAS-RYUDHWBXSA-N 1 0 233.315 1.167 10 0 BDAERO CC(C)n1ccnc1CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000334983329 135857571 /nfs/dbraw/zinc/85/75/71/135857571.db2.gz HTABOPGIVABDQJ-NWDGAFQWSA-N 1 0 236.363 1.646 10 0 BDAERO CC(C)n1ccnc1CN1CCC[C@H](O)[C@H]1C ZINC000335376812 136085847 /nfs/dbraw/zinc/08/58/47/136085847.db2.gz WSPGPUUDOJPGIJ-NEPJUHHUSA-N 1 0 237.347 1.809 10 0 BDAERO CC(C)n1ccnc1CN1CCC[C@@H](O)[C@H]1C ZINC000335376815 136085925 /nfs/dbraw/zinc/08/59/25/136085925.db2.gz WSPGPUUDOJPGIJ-VXGBXAGGSA-N 1 0 237.347 1.809 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1(C)CC1 ZINC000335593726 136103852 /nfs/dbraw/zinc/10/38/52/136103852.db2.gz MGNCXLTVROPSSL-UWVGGRQHSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccco1 ZINC000335595276 136104591 /nfs/dbraw/zinc/10/45/91/136104591.db2.gz ARULXABFAYRLIG-CMPLNLGQSA-N 1 0 236.315 1.626 10 0 BDAERO C[C@H](C[NH3+])Nc1ccc(C(F)(F)F)cn1 ZINC000082576132 322861211 /nfs/dbraw/zinc/86/12/11/322861211.db2.gz ITDXQRWCTIBBMU-ZCFIWIBFSA-N 1 0 219.210 1.860 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CN(c2ncccc2Cl)CCO1 ZINC000169205538 397810467 /nfs/dbraw/zinc/81/04/67/397810467.db2.gz DLNTXDHSVGBLLS-SCZZXKLOSA-N 1 0 241.722 1.287 10 0 BDAERO CC[NH2+][C@H](C)CNc1ncccc1OC ZINC000387689928 397856261 /nfs/dbraw/zinc/85/62/61/397856261.db2.gz UZSMECNKSXNKJU-SECBINFHSA-N 1 0 209.293 1.500 10 0 BDAERO CO[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000382111210 397869804 /nfs/dbraw/zinc/86/98/04/397869804.db2.gz KLJNFGMAHDYBHI-RWMBFGLXSA-N 1 0 227.348 1.552 10 0 BDAERO O[C@@H](c1cccs1)[C@@H]1C[NH2+]CCS1 ZINC000575462698 397943176 /nfs/dbraw/zinc/94/31/76/397943176.db2.gz PHEUZCYLAYBYOO-IUCAKERBSA-N 1 0 215.343 1.487 10 0 BDAERO CC[C@@](C)(C[NH2+]C[C@@H](O)C(C)(C)C)OC ZINC000322838107 397949759 /nfs/dbraw/zinc/94/97/59/397949759.db2.gz FANSJCCMFPQNOF-PWSUYJOCSA-N 1 0 217.353 1.798 10 0 BDAERO C[C@H]([NH3+])Cc1cc(Br)nn1C ZINC000575500083 397967524 /nfs/dbraw/zinc/96/75/24/397967524.db2.gz QOSBHLUTWMOTQX-YFKPBYRVSA-N 1 0 218.098 1.072 10 0 BDAERO C[N@@H+]1CCC[C@H](c2cccc(CO)c2)C1 ZINC000259576826 397960273 /nfs/dbraw/zinc/96/02/73/397960273.db2.gz UDEMZDVRJYLWFF-ZDUSSCGKSA-N 1 0 205.301 1.988 10 0 BDAERO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN1C ZINC000649522638 397915866 /nfs/dbraw/zinc/91/58/66/397915866.db2.gz ZONYWVWCPLBARU-AVGNSLFASA-N 1 0 226.364 1.316 10 0 BDAERO CO[C@H]1c2ccccc2CCN1CCO ZINC000616678222 397921490 /nfs/dbraw/zinc/92/14/90/397921490.db2.gz CIQMMFFIHKLDRL-LBPRGKRZSA-N 1 0 207.273 1.182 10 0 BDAERO NC(=S)C1CC[NH+](C2CCCC2)CC1 ZINC000070664096 397990936 /nfs/dbraw/zinc/99/09/36/397990936.db2.gz MFTHTCRLMKVIKS-UHFFFAOYSA-N 1 0 212.362 1.927 10 0 BDAERO c1ccc2c(c1)ncnc2N1CCC[NH2+]CC1 ZINC000037715713 397994942 /nfs/dbraw/zinc/99/49/42/397994942.db2.gz DNXKXLPSRGAVGZ-UHFFFAOYSA-N 1 0 228.299 1.430 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@]1(F)c1cncs1 ZINC000575470899 398002569 /nfs/dbraw/zinc/00/25/69/398002569.db2.gz JGMDDWOPNZANHC-CBAPKCEASA-N 1 0 200.282 1.937 10 0 BDAERO N[C@@H](CC[NH3+])c1c(F)cccc1Br ZINC000307174949 398005958 /nfs/dbraw/zinc/00/59/58/398005958.db2.gz RLRDPZWVLFDAGR-QMMMGPOBSA-N 1 0 247.111 1.937 10 0 BDAERO C[C@]1(C(=O)N2CCCOC(C)(C)C2)CCC[NH2+]1 ZINC000383929178 398050851 /nfs/dbraw/zinc/05/08/51/398050851.db2.gz BKBYNEXNBKJDCH-CYBMUJFWSA-N 1 0 240.347 1.156 10 0 BDAERO CC(C)(C)[C@H](CN)[N@@H+]1CCCSCC1 ZINC000042443503 398015668 /nfs/dbraw/zinc/01/56/68/398015668.db2.gz CTZNHAIDDOUIRE-JTQLQIEISA-N 1 0 216.394 1.799 10 0 BDAERO CC(C)[C@@H]([NH3+])c1cnn(C)c1Br ZINC000307265698 398047181 /nfs/dbraw/zinc/04/71/81/398047181.db2.gz BIYFMLSPMPFQIG-SSDOTTSWSA-N 1 0 232.125 1.838 10 0 BDAERO C[C@@](F)([C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000575518917 397975362 /nfs/dbraw/zinc/97/53/62/397975362.db2.gz BSULWFDNCORLFN-NTSWFWBYSA-N 1 0 201.163 1.265 10 0 BDAERO NC1=[NH+]CC2(CSC2)N1Cc1ccccc1 ZINC000307079221 397977346 /nfs/dbraw/zinc/97/73/46/397977346.db2.gz FUQQHGSUUDUFPA-UHFFFAOYSA-N 1 0 233.340 1.303 10 0 BDAERO CC[C@@H]1CS[C@H]([C@H]2CC[C@H](C)O2)[NH2+]1 ZINC000251386096 398079445 /nfs/dbraw/zinc/07/94/45/398079445.db2.gz XALZUDQNTVWYKX-SGIHWFKDSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCC1CC1 ZINC000384378250 398084541 /nfs/dbraw/zinc/08/45/41/398084541.db2.gz KQTOWPUTEMNZHP-KOLCDFICSA-N 1 0 210.321 1.291 10 0 BDAERO CC(C)CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186551713 398054675 /nfs/dbraw/zinc/05/46/75/398054675.db2.gz JOLDTCVOZUNZNZ-LLVKDONJSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@@]1(c2ccc(Br)cn2)C[C@H]1[NH3+] ZINC000575500348 398104935 /nfs/dbraw/zinc/10/49/35/398104935.db2.gz QPJJQZWRTQVRBD-VXNVDRBHSA-N 1 0 227.105 1.833 10 0 BDAERO Clc1cnccc1NCCC1CC[NH2+]CC1 ZINC000650312102 398096910 /nfs/dbraw/zinc/09/69/10/398096910.db2.gz LYWGBOZXTCDGDV-UHFFFAOYSA-N 1 0 239.750 1.959 10 0 BDAERO Cc1cnc(C)c(NCCC2CC[NH2+]CC2)n1 ZINC000650312232 398096913 /nfs/dbraw/zinc/09/69/13/398096913.db2.gz RKIIAPJYPVYLTD-UHFFFAOYSA-N 1 0 234.347 1.895 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)[C@@H]1CCCO1 ZINC000309120214 398115373 /nfs/dbraw/zinc/11/53/73/398115373.db2.gz SYHWJWQBTNXODZ-BJDJZHNGSA-N 1 0 213.321 1.569 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)[C@@H](C)O1 ZINC000384958174 398120855 /nfs/dbraw/zinc/12/08/55/398120855.db2.gz RZOAOGLWWLPUMO-DCQANWLSSA-N 1 0 240.347 1.201 10 0 BDAERO Cn1cc(CCC[NH2+]C[C@H](O)C(C)(C)C)cn1 ZINC000314744326 398111840 /nfs/dbraw/zinc/11/18/40/398111840.db2.gz QFZOUGUOBORECT-LBPRGKRZSA-N 1 0 239.363 1.349 10 0 BDAERO C[N@@H+]1CCSC[C@H]1[C@@H](O)C(C)(C)C ZINC000234355110 398123845 /nfs/dbraw/zinc/12/38/45/398123845.db2.gz GPQVLTUAOFTVLZ-DTWKUNHWSA-N 1 0 203.351 1.441 10 0 BDAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)CC(C)(C)O ZINC000389716586 398127389 /nfs/dbraw/zinc/12/73/89/398127389.db2.gz ODPMHXOUXPPGJY-QWRGUYRKSA-N 1 0 215.337 1.240 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1c1nc(Cl)cs1 ZINC000306233423 398134292 /nfs/dbraw/zinc/13/42/92/398134292.db2.gz LTTPIKFAFACGQS-NTSWFWBYSA-N 1 0 217.725 1.722 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CC[C@H](Cn2cncn2)O1 ZINC000052575238 167006186 /nfs/dbraw/zinc/00/61/86/167006186.db2.gz SHJRWLCBUHCWFU-NWDGAFQWSA-N 1 0 238.335 1.071 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000157813719 322864353 /nfs/dbraw/zinc/86/43/53/322864353.db2.gz XDWCEMAHDGXQFC-GRYCIOLGSA-N 1 0 240.347 1.012 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000020308357 173294912 /nfs/dbraw/zinc/29/49/12/173294912.db2.gz OQAKJVFHLWUIPH-SNVBAGLBSA-N 1 0 212.337 1.823 10 0 BDAERO CC(C)NC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000020209445 167073314 /nfs/dbraw/zinc/07/33/14/167073314.db2.gz YUHBVNPUHGFSOM-SNVBAGLBSA-N 1 0 213.325 1.226 10 0 BDAERO CC(C)[NH2+]CCCOCC(=O)N1CCCCC1 ZINC000051863756 167102477 /nfs/dbraw/zinc/10/24/77/167102477.db2.gz RXQMPCFQJHIKKV-UHFFFAOYSA-N 1 0 242.363 1.404 10 0 BDAERO CSc1ccc(CCN[C@H]2CC[NH2+]C2)cc1 ZINC000259032275 322881150 /nfs/dbraw/zinc/88/11/50/322881150.db2.gz OUJIAGAAABRBEP-LBPRGKRZSA-N 1 0 236.384 1.903 10 0 BDAERO Cc1ccsc1CCN[C@@H]1CC[NH2+]C1 ZINC000259174218 322882320 /nfs/dbraw/zinc/88/23/20/322882320.db2.gz VWJSAUKQOMGESA-SNVBAGLBSA-N 1 0 210.346 1.551 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000676234908 487563942 /nfs/dbraw/zinc/56/39/42/487563942.db2.gz SUNVIQUZVIZEDZ-LLVKDONJSA-N 1 0 230.267 1.411 10 0 BDAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCO[C@@H]1C ZINC000149722190 487566405 /nfs/dbraw/zinc/56/64/05/487566405.db2.gz CXMHVEITRCUMIO-GRYCIOLGSA-N 1 0 242.363 1.291 10 0 BDAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCO[C@H]1C ZINC000149722418 487566822 /nfs/dbraw/zinc/56/68/22/487566822.db2.gz CXMHVEITRCUMIO-SDDRHHMPSA-N 1 0 242.363 1.291 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000052762027 487568145 /nfs/dbraw/zinc/56/81/45/487568145.db2.gz HUFMTWADHHFOLE-LLVKDONJSA-N 1 0 226.345 1.880 10 0 BDAERO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000393469727 487576085 /nfs/dbraw/zinc/57/60/85/487576085.db2.gz FKJDGEGNZDEKBX-FDYHWXHSSA-N 1 0 227.348 1.837 10 0 BDAERO CC(C)OCCC[NH2+]CCN1CCO[C@H](C)C1 ZINC000053343976 167220779 /nfs/dbraw/zinc/22/07/79/167220779.db2.gz JWJYYURSCSAVPB-CYBMUJFWSA-N 1 0 244.379 1.112 10 0 BDAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000336651495 167270168 /nfs/dbraw/zinc/27/01/68/167270168.db2.gz VIIZLLNOHKPFKW-QJPTWQEYSA-N 1 0 213.321 1.257 10 0 BDAERO CC1(C)C[C@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000225470003 487592415 /nfs/dbraw/zinc/59/24/15/487592415.db2.gz DBYHNROLYSBADV-YVNMAJEFSA-N 1 0 224.348 1.666 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NC[C@@]2(C)CCC[NH2+]C2)O1 ZINC000228173668 487596935 /nfs/dbraw/zinc/59/69/35/487596935.db2.gz XSPXHGVUHAHAMO-WZRBSPASSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC[C@@H]1O ZINC000309769709 487609047 /nfs/dbraw/zinc/60/90/47/487609047.db2.gz OINDMWPHHYGJQS-LPWJVIDDSA-N 1 0 227.348 1.240 10 0 BDAERO COC(C)(C)C[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000309772724 487610133 /nfs/dbraw/zinc/61/01/33/487610133.db2.gz OYXXDKVNVGNARD-NWDGAFQWSA-N 1 0 229.364 1.894 10 0 BDAERO C[C@]1(C(=O)N2CC[C@@H]3C[C@@H]3C2)CCCC[NH2+]1 ZINC000662702913 409852884 /nfs/dbraw/zinc/85/28/84/409852884.db2.gz DLPOLQGLIYOWLZ-NQBHXWOUSA-N 1 0 222.332 1.387 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)CC1CCSCC1 ZINC000308781572 409905901 /nfs/dbraw/zinc/90/59/01/409905901.db2.gz CXEFJVAZPPKJOM-SECBINFHSA-N 1 0 230.377 1.244 10 0 BDAERO CCN(CC)[C@H](C)C[NH2+]CC(C)(C)O ZINC000308626613 409893062 /nfs/dbraw/zinc/89/30/62/409893062.db2.gz WXGRWOJYGNNVRR-SNVBAGLBSA-N 1 0 202.342 1.077 10 0 BDAERO c1cnc(NCCC2CC[NH2+]CC2)nc1 ZINC000035259167 410011154 /nfs/dbraw/zinc/01/11/54/410011154.db2.gz BCXUCINOMUYVOV-UHFFFAOYSA-N 1 0 206.293 1.278 10 0 BDAERO CN(C(=O)c1ccco1)[C@@H](C[NH3+])C(F)(F)F ZINC000662976697 410003238 /nfs/dbraw/zinc/00/32/38/410003238.db2.gz POFODPODWTYLOI-ZETCQYMHSA-N 1 0 236.193 1.241 10 0 BDAERO Cc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])ncn1 ZINC000227201343 487612427 /nfs/dbraw/zinc/61/24/27/487612427.db2.gz LAMYQRZMKNZQQZ-MWLCHTKSSA-N 1 0 220.320 1.349 10 0 BDAERO CC(C)[N@H+](CCO)C[C@H]1CCC[C@H](O)C1 ZINC000308953566 410073396 /nfs/dbraw/zinc/07/33/96/410073396.db2.gz YKRGEMITJIJPAF-RYUDHWBXSA-N 1 0 215.337 1.240 10 0 BDAERO Brc1cc2c(o1)CC[NH2+]C2 ZINC000082381915 166096456 /nfs/dbraw/zinc/09/64/56/166096456.db2.gz IOJMEMOXPAOJPW-UHFFFAOYSA-N 1 0 202.051 1.688 10 0 BDAERO CCCc1nccnc1N1CCC[C@H]([NH2+]C)C1 ZINC000663270459 410091351 /nfs/dbraw/zinc/09/13/51/410091351.db2.gz MCOXGFRRNNMCFB-NSHDSACASA-N 1 0 234.347 1.617 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ncnc2sccc21 ZINC000663279212 410094571 /nfs/dbraw/zinc/09/45/71/410094571.db2.gz PXWKENJUDRAEFZ-SSDOTTSWSA-N 1 0 222.317 1.711 10 0 BDAERO Brc1ccc(OC2C[NH2+]C2)nc1 ZINC000062810155 166097076 /nfs/dbraw/zinc/09/70/76/166097076.db2.gz MMRNQLTXIVQONY-UHFFFAOYSA-N 1 0 229.077 1.195 10 0 BDAERO Brc1ccc(CC2=[NH+]CCN2)cc1 ZINC000005513488 166097903 /nfs/dbraw/zinc/09/79/03/166097903.db2.gz OVVBCXBJCFCPLW-UHFFFAOYSA-N 1 0 239.116 1.993 10 0 BDAERO Brc1cccnc1[C@H]1CC[NH2+]C1 ZINC000083323815 166103166 /nfs/dbraw/zinc/10/31/66/166103166.db2.gz APPFUFBDZRACPI-ZETCQYMHSA-N 1 0 227.105 1.921 10 0 BDAERO Brc1cccnc1[C@@H]1CC[NH2+]C1 ZINC000083323812 166103445 /nfs/dbraw/zinc/10/34/45/166103445.db2.gz APPFUFBDZRACPI-SSDOTTSWSA-N 1 0 227.105 1.921 10 0 BDAERO Brc1cnc([C@@H]2CC[NH2+]C2)cn1 ZINC000044122249 166104523 /nfs/dbraw/zinc/10/45/23/166104523.db2.gz BQFXOXMWMUKPCU-ZCFIWIBFSA-N 1 0 228.093 1.316 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1C=CCC1 ZINC000309039307 410206064 /nfs/dbraw/zinc/20/60/64/410206064.db2.gz IQTXMPWNOJUOAA-VWYCJHECSA-N 1 0 208.305 1.291 10 0 BDAERO Brc1csc(N2CC[NH2+]CC2)c1 ZINC000071561437 166106410 /nfs/dbraw/zinc/10/64/10/166106410.db2.gz LCQLRWYJFWSLPT-UHFFFAOYSA-N 1 0 247.161 1.920 10 0 BDAERO CO[C@](C)(C[NH2+]C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000393241865 410316281 /nfs/dbraw/zinc/31/62/81/410316281.db2.gz OXZNBHZXFGPTKH-MRVWCRGKSA-N 1 0 241.375 1.942 10 0 BDAERO C[C@@H](C[NH3+])N(C)c1ncnc2c1CCCC2 ZINC000125466368 410316997 /nfs/dbraw/zinc/31/69/97/410316997.db2.gz YREBZEJWBYMCBC-VIFPVBQESA-N 1 0 220.320 1.139 10 0 BDAERO Cc1cc(NC(=O)C[C@H]([NH3+])C(C)C)n(C)n1 ZINC000128873335 410365027 /nfs/dbraw/zinc/36/50/27/410365027.db2.gz HCIZSRUZTIHQGG-VIFPVBQESA-N 1 0 224.308 1.040 10 0 BDAERO COc1cccnc1N[C@H]1CCC[NH2+][C@H]1C ZINC000129540644 410378045 /nfs/dbraw/zinc/37/80/45/410378045.db2.gz SUZWYBZFMPOSPI-UWVGGRQHSA-N 1 0 221.304 1.643 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)C[C@@H](C)O ZINC000393597661 410453015 /nfs/dbraw/zinc/45/30/15/410453015.db2.gz 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LMTLVJNXKJYPEG-LLVKDONJSA-N 1 0 240.347 1.061 10 0 BDAERO CC(C)CCNC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019436998 166851962 /nfs/dbraw/zinc/85/19/62/166851962.db2.gz ZDGIPHWGFQRQFI-GHMZBOCLSA-N 1 0 212.337 1.537 10 0 BDAERO CC(C)CCNC(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051791289 166854461 /nfs/dbraw/zinc/85/44/61/166854461.db2.gz LZKKEMVGPRRCIR-WDEREUQCSA-N 1 0 212.337 1.537 10 0 BDAERO [NH3+]CC[C@@H](Nc1ncncc1Cl)C(F)F ZINC000394818929 410824247 /nfs/dbraw/zinc/82/42/47/410824247.db2.gz SIWKEXPPIAAOGA-ZCFIWIBFSA-N 1 0 236.653 1.524 10 0 BDAERO Cc1ncc(NC(=O)C[C@@H]([NH3+])C(C)C)cn1 ZINC000395158932 410840826 /nfs/dbraw/zinc/84/08/26/410840826.db2.gz MGEIEYHTWHQWLD-SNVBAGLBSA-N 1 0 222.292 1.097 10 0 BDAERO C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000395246440 410843888 /nfs/dbraw/zinc/84/38/88/410843888.db2.gz MGMTWPZTXUWVIK-JBLDHEPKSA-N 1 0 224.348 1.631 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCNC2=O)o1 ZINC000395880460 410865192 /nfs/dbraw/zinc/86/51/92/410865192.db2.gz BWSZPYNCTOHJAH-GHMZBOCLSA-N 1 0 236.315 1.765 10 0 BDAERO [NH3+]CC1(CCNc2ncc(Cl)cn2)CC1 ZINC000395907663 410866123 /nfs/dbraw/zinc/86/61/23/410866123.db2.gz NLZBSZIKKPCEQQ-UHFFFAOYSA-N 1 0 226.711 1.093 10 0 BDAERO CC(C)C[NH2+]Cc1ccc(-n2cccn2)nn1 ZINC000051489354 167008249 /nfs/dbraw/zinc/00/82/49/167008249.db2.gz GGYMUDTYYIXRGC-UHFFFAOYSA-N 1 0 231.303 1.408 10 0 BDAERO CC(C)C[NH2+][C@]1(C(N)=O)CCCC[C@@H]1C ZINC000037946094 167015718 /nfs/dbraw/zinc/01/57/18/167015718.db2.gz HUQVVIAMAUSNFB-CMPLNLGQSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)COC(=O)N1CC[NH2+]C[C@H]1C ZINC000054370825 167020768 /nfs/dbraw/zinc/02/07/68/167020768.db2.gz XBFJHEIXXSZEFV-SECBINFHSA-N 1 0 200.282 1.073 10 0 BDAERO CC(C)N1CC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000045650315 167025277 /nfs/dbraw/zinc/02/52/77/167025277.db2.gz JNDKTYFQSLKDKY-CPCZMJQVSA-N 1 0 226.364 1.362 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2ncc[nH]2)C1 ZINC000154073865 167028468 /nfs/dbraw/zinc/02/84/68/167028468.db2.gz SVQIYOXFMGFNIH-MNOVXSKESA-N 1 0 222.336 1.228 10 0 BDAERO CC(C)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000082639664 167028610 /nfs/dbraw/zinc/02/86/10/167028610.db2.gz XCXKWOYEMFJWJR-ZDUSSCGKSA-N 1 0 204.317 1.953 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc[nH]c2)[C@@H](C)C1 ZINC000159108727 167032296 /nfs/dbraw/zinc/03/22/96/167032296.db2.gz IUGXLBIGDMXONU-JQWIXIFHSA-N 1 0 235.331 1.473 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc[nH]2)[C@@H](C)C1 ZINC000159090975 167033196 /nfs/dbraw/zinc/03/31/96/167033196.db2.gz IQHPMKZQTNPWCV-JQWIXIFHSA-N 1 0 235.331 1.473 10 0 BDAERO CCC(C)(C)[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000651297135 410903317 /nfs/dbraw/zinc/90/33/17/410903317.db2.gz NRWGGZMICJKBQG-LBPRGKRZSA-N 1 0 242.407 1.857 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)CN1CCCCCCC1=O ZINC000036950835 167111850 /nfs/dbraw/zinc/11/18/50/167111850.db2.gz JJRNWBYMLMZUCN-GFCCVEGCSA-N 1 0 242.363 1.138 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCN1c1nccn1C ZINC000053694340 167114598 /nfs/dbraw/zinc/11/45/98/167114598.db2.gz MVNLASODTGDKLK-LLVKDONJSA-N 1 0 222.336 1.387 10 0 BDAERO CC(C)[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000033465978 167114888 /nfs/dbraw/zinc/11/48/88/167114888.db2.gz QCWJOJWHTBIWFT-NSHDSACASA-N 1 0 237.299 1.489 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCN(Cc2cnn(C)c2)C1 ZINC000053034444 167115565 /nfs/dbraw/zinc/11/55/65/167115565.db2.gz PLSDCXCCKAXUHG-GFCCVEGCSA-N 1 0 236.363 1.240 10 0 BDAERO CC(C)[NH2+]Cc1cc(F)ccc1N(C)CCO ZINC000037899540 167116684 /nfs/dbraw/zinc/11/66/84/167116684.db2.gz POINLEIFZLSTHE-UHFFFAOYSA-N 1 0 240.322 1.752 10 0 BDAERO CC(C)[NH2+][C@@H](CO)c1ccc(F)c(F)c1 ZINC000038115689 167132427 /nfs/dbraw/zinc/13/24/27/167132427.db2.gz KRWGLSPQVNZXPU-NSHDSACASA-N 1 0 215.243 1.996 10 0 BDAERO CC(C)OCCC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352660496 167213956 /nfs/dbraw/zinc/21/39/56/167213956.db2.gz SRJQVKAKVLNQLP-RYUDHWBXSA-N 1 0 215.337 1.647 10 0 BDAERO CC(C)OCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309343720 167224315 /nfs/dbraw/zinc/22/43/15/167224315.db2.gz LASBLARRMRUEQR-WDEREUQCSA-N 1 0 228.336 1.058 10 0 BDAERO CC(C)OCCO[C@@H](C)C[NH2+]C[C@H]1CCCO1 ZINC000053556345 167248679 /nfs/dbraw/zinc/24/86/79/167248679.db2.gz BHLBORTWDDLDTG-QWHCGFSZSA-N 1 0 245.363 1.585 10 0 BDAERO CC(C)Oc1cc(OC2CC2)cnc1C[NH3+] ZINC000095722581 167288801 /nfs/dbraw/zinc/28/88/01/167288801.db2.gz RZSXDBJLEHLOKC-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)Oc1ccc(N2C[C@@H](C[NH3+])CC2=O)cc1 ZINC000019669569 167295713 /nfs/dbraw/zinc/29/57/13/167295713.db2.gz CYUONPUCUUBUSQ-LLVKDONJSA-N 1 0 248.326 1.785 10 0 BDAERO CC(C)[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037481905 167370573 /nfs/dbraw/zinc/37/05/73/167370573.db2.gz NUJMEQNVORDPRM-KPPDAEKUSA-N 1 0 212.337 1.665 10 0 BDAERO CC(C)[C@@H](C)NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000020597567 167373645 /nfs/dbraw/zinc/37/36/45/167373645.db2.gz ZRKCTYBFEJZRBS-GHMZBOCLSA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NCC[N@H+](C)C(C)C ZINC000101974168 167374949 /nfs/dbraw/zinc/37/49/49/167374949.db2.gz XZKGOMWGPGBXID-LLVKDONJSA-N 1 0 229.368 1.670 10 0 BDAERO CC(C)[C@@H](CN(C)C)[NH2+]CC(=O)NC(C)(C)C ZINC000049205757 167395079 /nfs/dbraw/zinc/39/50/79/167395079.db2.gz RPEXRSFURKGSNK-LLVKDONJSA-N 1 0 243.395 1.077 10 0 BDAERO CC(C)[C@@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000037769539 167418784 /nfs/dbraw/zinc/41/87/84/167418784.db2.gz MNBXHSFLEKOZCT-LLVKDONJSA-N 1 0 232.287 1.485 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC000309504612 410955851 /nfs/dbraw/zinc/95/58/51/410955851.db2.gz MQCNZTYMDHTIQV-VHSXEESVSA-N 1 0 212.337 1.537 10 0 BDAERO CC[C@@H](O)CCCNC(=O)C1CCC([NH3+])CC1 ZINC000398466541 410967483 /nfs/dbraw/zinc/96/74/83/410967483.db2.gz MODBBCSOEPLQMM-HTAVTVPLSA-N 1 0 242.363 1.171 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](OCC)C1 ZINC000042424927 411003172 /nfs/dbraw/zinc/00/31/72/411003172.db2.gz GFGOMDHABWCFMZ-MNOVXSKESA-N 1 0 228.336 1.141 10 0 BDAERO CN(C[C@@H]1CCCO1)C(=O)C1CCC([NH3+])CC1 ZINC000042465817 411005462 /nfs/dbraw/zinc/00/54/62/411005462.db2.gz ZIMFNQKKWDULAE-MCIGGMRASA-N 1 0 240.347 1.141 10 0 BDAERO COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)c(F)c1 ZINC000300048681 411076585 /nfs/dbraw/zinc/07/65/85/411076585.db2.gz LRGKWONTHPYNJP-TVQRCGJNSA-N 1 0 238.306 1.613 10 0 BDAERO CC(C)c1nsc(N2C[C@@H](C)[C@H]([NH3+])C2)n1 ZINC000300046833 411077516 /nfs/dbraw/zinc/07/75/16/411077516.db2.gz AKPYPFXRQZOTCZ-HTQZYQBOSA-N 1 0 226.349 1.445 10 0 BDAERO C[C@H](Cc1ccccn1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000655499389 411029179 /nfs/dbraw/zinc/02/91/79/411029179.db2.gz KMFNWSNAHNKBEQ-IJLUTSLNSA-N 1 0 247.342 1.256 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cccc(N)c1 ZINC000399385609 411036178 /nfs/dbraw/zinc/03/61/78/411036178.db2.gz ZFNXSPSFRRWVGU-GWCFXTLKSA-N 1 0 220.316 1.614 10 0 BDAERO CC(C)c1ccc2c(c1)[C@H]([NH3+])CCS2(=O)=O ZINC000020437215 167625392 /nfs/dbraw/zinc/62/53/92/167625392.db2.gz DRCXMBNIKAIFMX-LLVKDONJSA-N 1 0 239.340 1.987 10 0 BDAERO CC(C)c1ccccc1N1C[C@@H]([NH3+])CC1=O ZINC000035679676 167639913 /nfs/dbraw/zinc/63/99/13/167639913.db2.gz QFWGJOFETMODQD-JTQLQIEISA-N 1 0 218.300 1.874 10 0 BDAERO CC(C)n1cc(Cl)cc1C(=O)N(C)CC[NH3+] ZINC000054417286 167752913 /nfs/dbraw/zinc/75/29/13/167752913.db2.gz MDSQXFNGSLSRAG-UHFFFAOYSA-N 1 0 243.738 1.753 10 0 BDAERO CCC(C)(C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128843006 411243949 /nfs/dbraw/zinc/24/39/49/411243949.db2.gz QVIBQMUVKXNPID-SECBINFHSA-N 1 0 200.326 1.665 10 0 BDAERO COCC1(CC(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000401298195 411190359 /nfs/dbraw/zinc/19/03/59/411190359.db2.gz QZPSPNWMRHEKJU-QWRGUYRKSA-N 1 0 240.347 1.047 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CC(F)(F)F ZINC000128948013 411194200 /nfs/dbraw/zinc/19/42/00/411194200.db2.gz SQDGDAZPBRXWAE-SSDOTTSWSA-N 1 0 226.242 1.381 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1O ZINC000129084579 411220496 /nfs/dbraw/zinc/22/04/96/411220496.db2.gz HJQKHJCZYHKSJX-SECBINFHSA-N 1 0 222.288 1.704 10 0 BDAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCNC1=O ZINC000658055769 411222285 /nfs/dbraw/zinc/22/22/85/411222285.db2.gz VVTMTNQMHOKGNP-MWLCHTKSSA-N 1 0 222.288 1.079 10 0 BDAERO Cc1ncccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129124333 411232014 /nfs/dbraw/zinc/23/20/14/411232014.db2.gz HQRUGDTYZBTYMU-SNVBAGLBSA-N 1 0 221.304 1.702 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCS1 ZINC000129143194 411232421 /nfs/dbraw/zinc/23/24/21/411232421.db2.gz LWYZUXCGRQKFQN-ZJUUUORDSA-N 1 0 230.377 1.372 10 0 BDAERO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000660112884 411236428 /nfs/dbraw/zinc/23/64/28/411236428.db2.gz OROPZMGSZQPSCO-AVGNSLFASA-N 1 0 241.375 1.773 10 0 BDAERO CO[C@@H](C(=O)N1CCCC[C@H]1C[NH3+])C1CCC1 ZINC000659296353 411240297 /nfs/dbraw/zinc/24/02/97/411240297.db2.gz XZGWGFPANLGUEZ-NWDGAFQWSA-N 1 0 240.347 1.141 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccnc(N)c2)C1 ZINC000616657976 411240668 /nfs/dbraw/zinc/24/06/68/411240668.db2.gz ABAKGDSWIIFVKR-GFCCVEGCSA-N 1 0 249.358 1.878 10 0 BDAERO CO[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000309792665 411248009 /nfs/dbraw/zinc/24/80/09/411248009.db2.gz USWIVLMSDKQTOH-FRRDWIJNSA-N 1 0 227.348 1.648 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000657910161 411165292 /nfs/dbraw/zinc/16/52/92/411165292.db2.gz LECCMPACVOTTPT-LBPRGKRZSA-N 1 0 235.331 1.493 10 0 BDAERO C[C@@H](C[NH3+])N(C)c1nc2cccc(F)c2o1 ZINC000212548688 411242176 /nfs/dbraw/zinc/24/21/76/411242176.db2.gz WWXYIAPKFMLMGL-ZETCQYMHSA-N 1 0 223.251 1.750 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccncc1 ZINC000128873801 411268589 /nfs/dbraw/zinc/26/85/89/411268589.db2.gz KPJXBHZCDWWLQQ-SNVBAGLBSA-N 1 0 207.277 1.394 10 0 BDAERO C[C@H]1SCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000309842254 411277007 /nfs/dbraw/zinc/27/70/07/411277007.db2.gz QGRYBTAYQGDIKW-AGVGLQIMSA-N 1 0 242.388 1.514 10 0 BDAERO CCC1(O)CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000656507621 411287398 /nfs/dbraw/zinc/28/73/98/411287398.db2.gz VTPXINGNDAHLAN-CEUNDQEZSA-N 1 0 241.375 1.963 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000310928001 411291048 /nfs/dbraw/zinc/29/10/48/411291048.db2.gz LAMXTGJLSCEJEK-BXKDBHETSA-N 1 0 243.310 1.730 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)c1cccc(O)c1 ZINC000658357094 411303582 /nfs/dbraw/zinc/30/35/82/411303582.db2.gz RJRSHXFZPXMRCY-BMQDGWLCSA-N 1 0 221.300 1.814 10 0 BDAERO COCCC[C@H](C)[NH2+]C1CC(CO)C1 ZINC000658356902 411303672 /nfs/dbraw/zinc/30/36/72/411303672.db2.gz QABOALFBPOGQCJ-WHXUTIOJSA-N 1 0 201.310 1.162 10 0 BDAERO CCc1nsc(N(C)CC(C)(C)[NH3+])n1 ZINC000656609758 411308706 /nfs/dbraw/zinc/30/87/06/411308706.db2.gz TVPKIZUMSIWXCX-UHFFFAOYSA-N 1 0 214.338 1.274 10 0 BDAERO [NH3+]C1(CNc2ccc3nccnc3n2)CCCC1 ZINC000656610982 411308955 /nfs/dbraw/zinc/30/89/55/411308955.db2.gz XNJIRMVPGXEQLB-UHFFFAOYSA-N 1 0 243.314 1.082 10 0 BDAERO [NH3+]C1(CNc2ccc(F)cn2)CCCC1 ZINC000656610510 411309011 /nfs/dbraw/zinc/30/90/11/411309011.db2.gz HUUFBOQIXNZPKP-UHFFFAOYSA-N 1 0 209.268 1.904 10 0 BDAERO CN1C[C@@H](C[NH2+][C@H]2CCC2(C)C)CC1=O ZINC000658239724 411309268 /nfs/dbraw/zinc/30/92/68/411309268.db2.gz NBXWHYAPKHMXMH-ZJUUUORDSA-N 1 0 210.321 1.243 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1ncc(Cl)cn1 ZINC000656611721 411309930 /nfs/dbraw/zinc/30/99/30/411309930.db2.gz HXWDBWFZHLAUPO-UHFFFAOYSA-N 1 0 224.695 1.058 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)o1 ZINC000658243637 411310390 /nfs/dbraw/zinc/31/03/90/411310390.db2.gz FCUMDTLCYCCJJS-WDEREUQCSA-N 1 0 236.315 1.717 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000658245043 411310690 /nfs/dbraw/zinc/31/06/90/411310690.db2.gz OSGBUQZVHWFUKY-RYUDHWBXSA-N 1 0 232.327 1.816 10 0 BDAERO CCCc1nsc(N2CC3CC2(C[NH3+])C3)n1 ZINC000656611097 411310702 /nfs/dbraw/zinc/31/07/02/411310702.db2.gz TVXWVLMYAUYDTE-UHFFFAOYSA-N 1 0 238.360 1.418 10 0 BDAERO [NH3+][C@H](C(=O)N[C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000129363256 411254765 /nfs/dbraw/zinc/25/47/65/411254765.db2.gz AOJADTGCKFALGY-UPJWGTAASA-N 1 0 248.326 1.106 10 0 BDAERO [NH3+]Cc1cn(CCSc2ccccc2)nn1 ZINC000050224460 411254947 /nfs/dbraw/zinc/25/49/47/411254947.db2.gz YLSNEIBDIDWFRI-UHFFFAOYSA-N 1 0 234.328 1.529 10 0 BDAERO CCn1nc(C)c([C@@H](C)[NH2+]C/C=C\CO)c1C ZINC000658132533 411256897 /nfs/dbraw/zinc/25/68/97/411256897.db2.gz IFVOYMZPTKRPOW-JYESYGNLSA-N 1 0 237.347 1.719 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1cccs1 ZINC000128870008 411259906 /nfs/dbraw/zinc/25/99/06/411259906.db2.gz YKTIKKKNWSOAME-LLVKDONJSA-N 1 0 240.372 1.780 10 0 BDAERO C[C@H](C[NH3+])N(C)c1ncnc2c1CCCC2 ZINC000125466561 411374185 /nfs/dbraw/zinc/37/41/85/411374185.db2.gz YREBZEJWBYMCBC-SECBINFHSA-N 1 0 220.320 1.139 10 0 BDAERO Cc1cccc(N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000069727425 411359482 /nfs/dbraw/zinc/35/94/82/411359482.db2.gz GJVSWMYSRXNVLH-JQWIXIFHSA-N 1 0 219.332 1.954 10 0 BDAERO CC1(C)C[N@@H+]([C@H]2CCCC[C@H]2O)CCCO1 ZINC000309547023 167964690 /nfs/dbraw/zinc/96/46/90/167964690.db2.gz HCZDZZBLIZJJIL-NWDGAFQWSA-N 1 0 227.348 1.791 10 0 BDAERO CCC(C)(C)[C@@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000659340326 411367766 /nfs/dbraw/zinc/36/77/66/411367766.db2.gz STVISAUQNNKSEV-NXEZZACHSA-N 1 0 212.337 1.537 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)C)[C@H](C)CO1 ZINC000403942645 411369502 /nfs/dbraw/zinc/36/95/02/411369502.db2.gz JTRFHIWDHHBFFQ-IJLUTSLNSA-N 1 0 242.363 1.386 10 0 BDAERO COc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000659314124 411340024 /nfs/dbraw/zinc/34/00/24/411340024.db2.gz IIZUBEWLOCYOTN-PWSUYJOCSA-N 1 0 248.326 1.565 10 0 BDAERO O=C(Nc1cccc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000062112114 411346356 /nfs/dbraw/zinc/34/63/56/411346356.db2.gz FHIJGVHDWBSQEU-NSHDSACASA-N 1 0 241.294 1.783 10 0 BDAERO CC1(CNc2ncnc3nc[nH]c32)CC[NH2+]CC1 ZINC000129431953 168049684 /nfs/dbraw/zinc/04/96/84/168049684.db2.gz GSFFAGOKKCNTLI-UHFFFAOYSA-N 1 0 246.318 1.155 10 0 BDAERO CC1(NC(=O)C[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000054308900 168056363 /nfs/dbraw/zinc/05/63/63/168056363.db2.gz XQKPLSDPMQOXTF-NSHDSACASA-N 1 0 224.348 1.825 10 0 BDAERO CC(C)(C)[C@H]([NH3+])C(=O)NC1(C)CCCC1 ZINC000042187919 168058477 /nfs/dbraw/zinc/05/84/77/168058477.db2.gz SKQBSMCXSSLPEN-SECBINFHSA-N 1 0 212.337 1.809 10 0 BDAERO CC1([NH2+]CC(=O)NC2CCCC2)CCCC1 ZINC000042187405 168062987 /nfs/dbraw/zinc/06/29/87/168062987.db2.gz GRROPCCZPXTPMG-UHFFFAOYSA-N 1 0 224.348 1.968 10 0 BDAERO CC1CCC(C[N@@H+]2CCO[C@H](CO)C2)CC1 ZINC000128408315 168153204 /nfs/dbraw/zinc/15/32/04/168153204.db2.gz DOFHMOIXQHVJAW-BPCQOVAHSA-N 1 0 227.348 1.506 10 0 BDAERO CC1CCC(C[N@@H+]2CCO[C@@H](CO)C2)CC1 ZINC000128408553 168153724 /nfs/dbraw/zinc/15/37/24/168153724.db2.gz DOFHMOIXQHVJAW-WXRRBKDZSA-N 1 0 227.348 1.506 10 0 BDAERO CC1CCC(C[NH2+]C[C@@]2(O)CCOC2)CC1 ZINC000127353887 168155360 /nfs/dbraw/zinc/15/53/60/168155360.db2.gz FVVMCYLZVGQNHT-BPCQOVAHSA-N 1 0 227.348 1.554 10 0 BDAERO CC1CCC(c2n[nH]c(CCC[NH3+])n2)CC1 ZINC000061844205 168169454 /nfs/dbraw/zinc/16/94/54/168169454.db2.gz OGVKYTPYRHXPQQ-UHFFFAOYSA-N 1 0 222.336 1.990 10 0 BDAERO CC1CCN(C(=O)[C@H]([NH3+])C(C)(C)C)CC1 ZINC000077458756 168175926 /nfs/dbraw/zinc/17/59/26/168175926.db2.gz LTNYIYWAAZGZOD-JTQLQIEISA-N 1 0 212.337 1.618 10 0 BDAERO C[C@@H](C[NH+]1CCC(C)CC1)C(N)=S ZINC000036677556 168182199 /nfs/dbraw/zinc/18/21/99/168182199.db2.gz UYWMXBHKZZQAIT-VIFPVBQESA-N 1 0 200.351 1.641 10 0 BDAERO CC1CC[NH+](Cc2ccc(C(N)=O)cc2N)CC1 ZINC000037271953 168184294 /nfs/dbraw/zinc/18/42/94/168184294.db2.gz UXBAPQRVADHKIF-UHFFFAOYSA-N 1 0 247.342 1.600 10 0 BDAERO CC1CC[NH+]([C@]2(CN)CCSC2)CC1 ZINC000019519377 168188008 /nfs/dbraw/zinc/18/80/08/168188008.db2.gz YWRXYRPHCNQVMP-NSHDSACASA-N 1 0 214.378 1.553 10 0 BDAERO CCC(=O)C1(c2cccc(O)c2)CC[NH2+]CC1 ZINC000005768043 168198368 /nfs/dbraw/zinc/19/83/68/168198368.db2.gz BJTDPLRIKDSWIS-UHFFFAOYSA-N 1 0 233.311 1.993 10 0 BDAERO CCC(=O)CCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000300064163 168199390 /nfs/dbraw/zinc/19/93/90/168199390.db2.gz LLPUSIHHUOSAKD-LBPRGKRZSA-N 1 0 224.348 1.526 10 0 BDAERO CCC(=O)CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000190237284 168202099 /nfs/dbraw/zinc/20/20/99/168202099.db2.gz VGVCVRFDJFHIFM-NSHDSACASA-N 1 0 235.331 1.579 10 0 BDAERO CCC(C)(C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000054403848 168262266 /nfs/dbraw/zinc/26/22/66/168262266.db2.gz GUDMVUNDQXHTGI-SNVBAGLBSA-N 1 0 212.337 1.762 10 0 BDAERO CCC(C)(C)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000054402033 168263374 /nfs/dbraw/zinc/26/33/74/168263374.db2.gz IRJBFTGUNVDHPE-VHSXEESVSA-N 1 0 210.321 1.243 10 0 BDAERO CCC(C)(C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116789126 168263900 /nfs/dbraw/zinc/26/39/00/168263900.db2.gz IKILQOKUPVDRLK-LLVKDONJSA-N 1 0 242.363 1.212 10 0 BDAERO COC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000404248988 411386274 /nfs/dbraw/zinc/38/62/74/411386274.db2.gz XUWDTWRAXJFTJU-WDEREUQCSA-N 1 0 242.363 1.245 10 0 BDAERO CCC(C)(C)NC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000336237486 168293003 /nfs/dbraw/zinc/29/30/03/168293003.db2.gz BQRSEAQXIPYNHG-UWVGGRQHSA-N 1 0 227.352 1.615 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051791942 168295728 /nfs/dbraw/zinc/29/57/28/168295728.db2.gz AOJQFOMXNYJNJS-VHSXEESVSA-N 1 0 212.337 1.679 10 0 BDAERO Cc1nc(C[NH2+][C@H](C)[C@@H]2CCCO2)[nH]c1C ZINC000657310047 411459403 /nfs/dbraw/zinc/45/94/03/411459403.db2.gz VXOFIHQDSJYJIF-MNOVXSKESA-N 1 0 223.320 1.684 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1=CCCC1 ZINC000659379143 411392637 /nfs/dbraw/zinc/39/26/37/411392637.db2.gz ACFKACHMKBUFLL-MWLCHTKSSA-N 1 0 208.305 1.068 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000659340926 411400235 /nfs/dbraw/zinc/40/02/35/411400235.db2.gz PCJGHWLBGPDZJM-SRVKXCTJSA-N 1 0 226.364 1.914 10 0 BDAERO CCN(CC[NH2+][C@@H](C)COC)Cc1ccco1 ZINC000053443039 169845648 /nfs/dbraw/zinc/84/56/48/169845648.db2.gz IFJLGGZFCGNSMO-LBPRGKRZSA-N 1 0 240.347 1.726 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000659361309 411403256 /nfs/dbraw/zinc/40/32/56/411403256.db2.gz OCSVTCRQHCLLOF-JZRPKSSGSA-N 1 0 236.359 1.666 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1ccoc1 ZINC000659360126 411403294 /nfs/dbraw/zinc/40/32/94/411403294.db2.gz FGBGWXCFDRURJE-PWSUYJOCSA-N 1 0 236.315 1.326 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1ccc2ccncc2c1 ZINC000653047805 411404031 /nfs/dbraw/zinc/40/40/31/411404031.db2.gz VJXNOKVDTQNYCE-SNVBAGLBSA-N 1 0 243.310 1.702 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1=CCCC1 ZINC000659379199 411406526 /nfs/dbraw/zinc/40/65/26/411406526.db2.gz BSANGAVXDPVWRK-JQWIXIFHSA-N 1 0 222.332 1.601 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1=CCCC1 ZINC000659379201 411406635 /nfs/dbraw/zinc/40/66/35/411406635.db2.gz BSANGAVXDPVWRK-ZYHUDNBSSA-N 1 0 222.332 1.601 10 0 BDAERO CC(C)CC1(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000659382734 411407914 /nfs/dbraw/zinc/40/79/14/411407914.db2.gz OICJSIPFCKFFRQ-QWRGUYRKSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H]([NH3+])CNc1nc2ccccc2n1C ZINC000070609145 411414988 /nfs/dbraw/zinc/41/49/88/411414988.db2.gz BBQQWWLLKQHKEX-QMMMGPOBSA-N 1 0 204.277 1.332 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC(F)(F)C1 ZINC000405056400 411415718 /nfs/dbraw/zinc/41/57/18/411415718.db2.gz NGDVMCYJLNEQLU-VIFPVBQESA-N 1 0 234.290 1.618 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(C(C)(C)C)no1 ZINC000070999691 411428624 /nfs/dbraw/zinc/42/86/24/411428624.db2.gz ZVQXMIQUTAGYLZ-QMMMGPOBSA-N 1 0 211.309 1.893 10 0 BDAERO CC[C@H]1CN(c2ccccn2)CC[C@@H]1[NH3+] ZINC000122960872 411436981 /nfs/dbraw/zinc/43/69/81/411436981.db2.gz RWJJIOSJBZUGMA-QWRGUYRKSA-N 1 0 205.305 1.645 10 0 BDAERO CCc1nsc(N2CC[C@H]([NH3+])[C@H](CC)C2)n1 ZINC000123019874 411437476 /nfs/dbraw/zinc/43/74/76/411437476.db2.gz YDYXJLFJTQNJBH-BDAKNGLRSA-N 1 0 240.376 1.664 10 0 BDAERO O[C@H]1CCC[C@H](C[NH+]2CCSCC2)C1 ZINC000306211121 411438326 /nfs/dbraw/zinc/43/83/26/411438326.db2.gz PPOPAICECNFANY-QWRGUYRKSA-N 1 0 215.362 1.586 10 0 BDAERO CC(C)[C@H](C)[NH2+]Cc1cnc2n1CCC2 ZINC000657292124 411453405 /nfs/dbraw/zinc/45/34/05/411453405.db2.gz DMIZMNBPRJTTMW-JTQLQIEISA-N 1 0 207.321 1.963 10 0 BDAERO CCN(Cc1ccccc1C[NH3+])c1cnccn1 ZINC000037757518 169918985 /nfs/dbraw/zinc/91/89/85/169918985.db2.gz MRRAGDVYQVGVLO-UHFFFAOYSA-N 1 0 242.326 1.962 10 0 BDAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2CO)[nH]c1C ZINC000657369648 411483731 /nfs/dbraw/zinc/48/37/31/411483731.db2.gz AUSCJISYQYMKOV-VXGBXAGGSA-N 1 0 237.347 1.667 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657371633 411485039 /nfs/dbraw/zinc/48/50/39/411485039.db2.gz XSYLNRWIZZCOOO-YPMHNXCESA-N 1 0 249.358 1.470 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657422336 411502591 /nfs/dbraw/zinc/50/25/91/411502591.db2.gz WDLONJOKVIJASD-ONGXEEELSA-N 1 0 221.304 1.096 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657422334 411503066 /nfs/dbraw/zinc/50/30/66/411503066.db2.gz WDLONJOKVIJASD-MWLCHTKSSA-N 1 0 221.304 1.096 10 0 BDAERO CCOC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000659982458 411517818 /nfs/dbraw/zinc/51/78/18/411517818.db2.gz NMWAVZVHEBFHJF-MCIONIFRSA-N 1 0 241.375 1.896 10 0 BDAERO C[N@H+](C[C@@H](O)C1CC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000659995065 411522851 /nfs/dbraw/zinc/52/28/51/411522851.db2.gz QLLQAMNIDWLGIE-RAIGVLPGSA-N 1 0 227.348 1.240 10 0 BDAERO C[N@H+](C[C@H](O)C1CC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000659995066 411523218 /nfs/dbraw/zinc/52/32/18/411523218.db2.gz QLLQAMNIDWLGIE-RTXFEEFZSA-N 1 0 227.348 1.240 10 0 BDAERO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC)C2)CO1 ZINC000657324519 411464953 /nfs/dbraw/zinc/46/49/53/411464953.db2.gz CFYCEUBLATVPTF-JHJVBQTASA-N 1 0 226.364 1.628 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@H]2CCC[C@@H](O)C2)n1 ZINC000657324663 411465047 /nfs/dbraw/zinc/46/50/47/411465047.db2.gz ARCFFZPRGXLMJY-VHSXEESVSA-N 1 0 209.293 1.111 10 0 BDAERO CCN1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000056894910 170000987 /nfs/dbraw/zinc/00/09/87/170000987.db2.gz PPTYMQWKKFYFPV-GFCCVEGCSA-N 1 0 208.280 1.792 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2cnccn2)C1 ZINC000037484448 170009567 /nfs/dbraw/zinc/00/95/67/170009567.db2.gz GZKAEFDKJDMCQI-JTQLQIEISA-N 1 0 206.293 1.230 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H](C)CCOC)C1 ZINC000328143534 170013679 /nfs/dbraw/zinc/01/36/79/170013679.db2.gz BQHMZBXOKAXUOB-GHMZBOCLSA-N 1 0 200.326 1.095 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@H](C)C2CCOCC2)C1 ZINC000328352587 170014023 /nfs/dbraw/zinc/01/40/23/170014023.db2.gz NVUWBKPBBKDLBR-DGCLKSJQSA-N 1 0 226.364 1.485 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000328337772 170022325 /nfs/dbraw/zinc/02/23/25/170022325.db2.gz JTONUJVNDFGAKW-GRYCIOLGSA-N 1 0 212.337 1.238 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](NCc2nc(C)cs2)C1 ZINC000309648221 170031870 /nfs/dbraw/zinc/03/18/70/170031870.db2.gz NAIODJFGKMYWDN-MWLCHTKSSA-N 1 0 239.388 1.881 10 0 BDAERO CCN1C[C@H]([NH2+][C@@H]2CCCSC2)[C@@H](C)C1 ZINC000336769309 170037336 /nfs/dbraw/zinc/03/73/36/170037336.db2.gz USYBSEHLQDEFFB-TUAOUCFPSA-N 1 0 228.405 1.812 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000657524277 411540769 /nfs/dbraw/zinc/54/07/69/411540769.db2.gz WMQOHNIXLDEIRO-CYBMUJFWSA-N 1 0 241.294 1.213 10 0 BDAERO CCNC(=[NH2+])N[C@H](C(=O)OC)c1ccccc1 ZINC000052042359 170041524 /nfs/dbraw/zinc/04/15/24/170041524.db2.gz VWCFYMMILYCTGK-JTQLQIEISA-N 1 0 235.287 1.035 10 0 BDAERO CCNC(=O)CC[NH2+]Cc1ccccc1OC ZINC000051757974 170053250 /nfs/dbraw/zinc/05/32/50/170053250.db2.gz LAXUSVZLBPHLBZ-UHFFFAOYSA-N 1 0 236.315 1.311 10 0 BDAERO CCNC(=O)CC[C@H](C[NH3+])c1ccccc1 ZINC000076610315 170053794 /nfs/dbraw/zinc/05/37/94/170053794.db2.gz NLWBYVCIHZNZKJ-GFCCVEGCSA-N 1 0 220.316 1.645 10 0 BDAERO CCNC(=O)C[NH2+]CCc1ccccc1F ZINC000020047619 170064422 /nfs/dbraw/zinc/06/44/22/170064422.db2.gz XBGPMKPFCBRIGW-UHFFFAOYSA-N 1 0 224.279 1.094 10 0 BDAERO CCNC(=O)C[NH2+]CCCN(C)c1ccccc1 ZINC000020043923 170064848 /nfs/dbraw/zinc/06/48/48/170064848.db2.gz QKASDOYKHKNHSQ-UHFFFAOYSA-N 1 0 249.358 1.239 10 0 BDAERO CCNC(=O)COc1ccc([C@H](C)[NH2+]C)cc1 ZINC000034819159 170067399 /nfs/dbraw/zinc/06/73/99/170067399.db2.gz WBSKKHVRTSTLDW-JTQLQIEISA-N 1 0 236.315 1.482 10 0 BDAERO CCNC(=O)C[C@H]([NH3+])c1cccc(OCC)c1 ZINC000041270889 170070505 /nfs/dbraw/zinc/07/05/05/170070505.db2.gz YEKSSVVSQJNJNO-LBPRGKRZSA-N 1 0 236.315 1.611 10 0 BDAERO CCNC(=O)NC1(C[NH3+])CCCCCC1 ZINC000070626852 170078637 /nfs/dbraw/zinc/07/86/37/170078637.db2.gz DADJNIWQKNRLGG-UHFFFAOYSA-N 1 0 213.325 1.357 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC)C2)CO1 ZINC000657495657 411535567 /nfs/dbraw/zinc/53/55/67/411535567.db2.gz KOHIGHHOSBJDGG-SDDRHHMPSA-N 1 0 212.337 1.238 10 0 BDAERO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177258 170087664 /nfs/dbraw/zinc/08/76/64/170087664.db2.gz UURFXYSZQNJMGP-QWQWKMKNSA-N 1 0 238.375 1.925 10 0 BDAERO CCNC(=O)[C@H](C)n1c(N)[nH+]c2cc(C)ccc21 ZINC000049220725 170097482 /nfs/dbraw/zinc/09/74/82/170097482.db2.gz RCJDWTFCEQPUAT-VIFPVBQESA-N 1 0 246.314 1.624 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCO[C@H](C)C1 ZINC000061299594 170107257 /nfs/dbraw/zinc/10/72/57/170107257.db2.gz IQXPYHDGMACNQP-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000061278535 170107453 /nfs/dbraw/zinc/10/74/53/170107453.db2.gz NNRISWBZPKYZRM-NXEZZACHSA-N 1 0 228.336 1.010 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000061289310 170107673 /nfs/dbraw/zinc/10/76/73/170107673.db2.gz KWASDPOEMFXOKB-VHSXEESVSA-N 1 0 228.336 1.010 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)NCCOCCC(C)C ZINC000061299272 170107823 /nfs/dbraw/zinc/10/78/23/170107823.db2.gz FIJYWRNQLCPCJO-UHFFFAOYSA-N 1 0 244.379 1.553 10 0 BDAERO CCNC1(c2nccs2)CC[NH2+]CC1 ZINC000041060997 170108548 /nfs/dbraw/zinc/10/85/48/170108548.db2.gz IUBLYDRWSDLDNM-UHFFFAOYSA-N 1 0 211.334 1.331 10 0 BDAERO CC[NH2+]C1CCN(C[C@H]2CCCCO2)CC1 ZINC000037469353 170108827 /nfs/dbraw/zinc/10/88/27/170108827.db2.gz GBSYTYNKPGCDCU-CYBMUJFWSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+]CC1(CN2CCO[C@H](C)C2)CCCC1 ZINC000051210495 170110849 /nfs/dbraw/zinc/11/08/49/170110849.db2.gz JHNUKKTVARPNCO-CYBMUJFWSA-N 1 0 240.391 1.877 10 0 BDAERO CC[NH2+]CCC(=O)c1ccc(OC)cc1OC ZINC000049828710 170111519 /nfs/dbraw/zinc/11/15/19/170111519.db2.gz HPDRJQJNEROUSY-UHFFFAOYSA-N 1 0 237.299 1.886 10 0 BDAERO CC[NH2+]CCCc1ccc(S(C)(=O)=O)cc1 ZINC000098126662 170113544 /nfs/dbraw/zinc/11/35/44/170113544.db2.gz ZNKDPIWLBSJBFF-UHFFFAOYSA-N 1 0 241.356 1.632 10 0 BDAERO CC[NH2+]CCc1ccc(OC)cc1OC ZINC000055233112 170117104 /nfs/dbraw/zinc/11/71/04/170117104.db2.gz GBXXCLXHPUEZKR-UHFFFAOYSA-N 1 0 209.289 1.856 10 0 BDAERO CC[NH2+]CCc1ccc(OC)c(OC)c1OC ZINC000083231171 170117336 /nfs/dbraw/zinc/11/73/36/170117336.db2.gz JUBFUAVNZDMFGC-UHFFFAOYSA-N 1 0 239.315 1.864 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)CC ZINC000061229137 170117923 /nfs/dbraw/zinc/11/79/23/170117923.db2.gz ZJRTXSCJJWPIQZ-ZJUUUORDSA-N 1 0 200.326 1.489 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC(C)(C)CC1 ZINC000061821106 170118428 /nfs/dbraw/zinc/11/84/28/170118428.db2.gz NINPTBNKAPSKRN-LLVKDONJSA-N 1 0 226.364 1.881 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccncc1 ZINC000061229534 170118784 /nfs/dbraw/zinc/11/87/84/170118784.db2.gz CVAVDBALAPVECN-GHMZBOCLSA-N 1 0 235.331 1.504 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000032101461 170118888 /nfs/dbraw/zinc/11/88/88/170118888.db2.gz PHOKQQBYQCIYTM-SNVBAGLBSA-N 1 0 243.734 1.998 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)NC1(CO)CCCCC1 ZINC000061268347 170119263 /nfs/dbraw/zinc/11/92/63/170119263.db2.gz ZYFDOZICURWAKR-LLVKDONJSA-N 1 0 242.363 1.043 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1ccc(F)cn1 ZINC000053697012 170119890 /nfs/dbraw/zinc/11/98/90/170119890.db2.gz FTJDXJRYWQTUMK-NSHDSACASA-N 1 0 223.295 1.799 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1ncccc1F ZINC000054701288 170119986 /nfs/dbraw/zinc/11/99/86/170119986.db2.gz ZMKMWTNDMGJMJE-JTQLQIEISA-N 1 0 223.295 1.799 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000061227001 170121369 /nfs/dbraw/zinc/12/13/69/170121369.db2.gz QURRWZYXPKJUAX-QWRGUYRKSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1ccccc1OCC ZINC000032014612 170121023 /nfs/dbraw/zinc/12/10/23/170121023.db2.gz FLJRKMUHJMWYSI-CYBMUJFWSA-N 1 0 223.316 1.902 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1c(F)cccc1F ZINC000055032794 170121246 /nfs/dbraw/zinc/12/12/46/170121246.db2.gz VOGNOKCENNWBIW-LLVKDONJSA-N 1 0 215.243 1.782 10 0 BDAERO CC[NH2+]C[C@H](C)c1nnc2n1CCCCC2 ZINC000061219751 170121530 /nfs/dbraw/zinc/12/15/30/170121530.db2.gz REDGPMGNEVNSGL-JTQLQIEISA-N 1 0 222.336 1.718 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1CCc2ncccc2C1 ZINC000061234177 170121584 /nfs/dbraw/zinc/12/15/84/170121584.db2.gz SGILAEXHLFLHFL-NSHDSACASA-N 1 0 247.342 1.212 10 0 BDAERO CC[NH2+]C[C@H](C)c1nnc2ccc(C)nn21 ZINC000061219799 170121772 /nfs/dbraw/zinc/12/17/72/170121772.db2.gz HUAUOPVNBQFDMI-QMMMGPOBSA-N 1 0 219.292 1.146 10 0 BDAERO CC[NH2+]C[C@H](C)n1cc(Br)cn1 ZINC000052577603 170122005 /nfs/dbraw/zinc/12/20/05/170122005.db2.gz VTBHDJCMRRTSKG-ZETCQYMHSA-N 1 0 232.125 1.816 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1c1nccn1CC ZINC000053698437 170122478 /nfs/dbraw/zinc/12/24/78/170122478.db2.gz KPJBFRPUXJAWCI-GFCCVEGCSA-N 1 0 236.363 1.871 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2nc(C)cc(C)n2)C1 ZINC000053696128 170122818 /nfs/dbraw/zinc/12/28/18/170122818.db2.gz AZUBDPULOBQFBZ-CYBMUJFWSA-N 1 0 248.374 1.919 10 0 BDAERO CC[NH2+]Cc1cc(C)nc(C[C@H]2CCCO2)n1 ZINC000054831230 170125201 /nfs/dbraw/zinc/12/52/01/170125201.db2.gz AHFIVBPZOFYNTA-GFCCVEGCSA-N 1 0 235.331 1.616 10 0 BDAERO CC[NH2+]Cc1cc(C)nc(Cc2ccncc2)n1 ZINC000054831241 170125518 /nfs/dbraw/zinc/12/55/18/170125518.db2.gz MXLVSQSCHOZDCO-UHFFFAOYSA-N 1 0 242.326 1.880 10 0 BDAERO CC[NH2+]Cc1nc2c(s1)CN(C)CC2 ZINC000053294223 170131488 /nfs/dbraw/zinc/13/14/88/170131488.db2.gz HEKGMPLYFROJAM-UHFFFAOYSA-N 1 0 211.334 1.241 10 0 BDAERO CC[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000041054408 170128321 /nfs/dbraw/zinc/12/83/21/170128321.db2.gz ZNSYCQSMGQQTNX-UHFFFAOYSA-N 1 0 220.272 1.753 10 0 BDAERO CC[NH2+]Cc1cnn(-c2ccc(Cl)nn2)c1 ZINC000040932408 170130682 /nfs/dbraw/zinc/13/06/82/170130682.db2.gz GGVHCRHJFPFWLI-UHFFFAOYSA-N 1 0 237.694 1.425 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1cc(F)ccc1C ZINC000054744609 170132010 /nfs/dbraw/zinc/13/20/10/170132010.db2.gz HJXDLPLSDNQRPM-UHFFFAOYSA-N 1 0 235.266 1.219 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000054745856 170132205 /nfs/dbraw/zinc/13/22/05/170132205.db2.gz OAVAZFWNRZKEKL-OUAUKWLOSA-N 1 0 237.351 1.780 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1cc(C)ccc1C ZINC000049670720 170137802 /nfs/dbraw/zinc/13/78/02/170137802.db2.gz YWHDILZNGKYGIM-LLVKDONJSA-N 1 0 206.289 1.439 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCCSCC1 ZINC000061274059 170138685 /nfs/dbraw/zinc/13/86/85/170138685.db2.gz SCBFEHLQUNGVAV-JTQLQIEISA-N 1 0 230.377 1.340 10 0 BDAERO CC[NH2+][C@@H](C)Cn1c(=O)cnc2ccccc21 ZINC000044472735 170139894 /nfs/dbraw/zinc/13/98/94/170139894.db2.gz CFCMYJLACVCRAB-JTQLQIEISA-N 1 0 231.299 1.395 10 0 BDAERO CC[NH2+][C@@H](C)[C@H](C)N1CCn2ccnc2C1 ZINC000062250459 170141403 /nfs/dbraw/zinc/14/14/03/170141403.db2.gz QPJMCYVOZGXOFE-QWRGUYRKSA-N 1 0 222.336 1.085 10 0 BDAERO CC[NH2+][C@@H](CO)c1ccc2c(c1)OCCO2 ZINC000038120444 170145098 /nfs/dbraw/zinc/14/50/98/170145098.db2.gz BLDPHPRBUFSMIU-JTQLQIEISA-N 1 0 223.272 1.101 10 0 BDAERO CC[NH2+][C@@H](CCN(C)CCO)c1ccccc1 ZINC000053933773 170145317 /nfs/dbraw/zinc/14/53/17/170145317.db2.gz AEURTMITPOWWEK-AWEZNQCLSA-N 1 0 236.359 1.651 10 0 BDAERO CCN[C@@H](CC[N@H+](C)C1CCCCC1)C(N)=O ZINC000062442909 170145519 /nfs/dbraw/zinc/14/55/19/170145519.db2.gz JTWJMWAKVPZHMX-LBPRGKRZSA-N 1 0 241.379 1.104 10 0 BDAERO CC[NH2+][C@@H]([C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000043300871 170146720 /nfs/dbraw/zinc/14/67/20/170146720.db2.gz OONNVIRKLWZWNL-UWVGGRQHSA-N 1 0 233.377 1.445 10 0 BDAERO CC[NH2+][C@@H]1CCCCCC[C@H]1S(C)(=O)=O ZINC000054930368 170150904 /nfs/dbraw/zinc/15/09/04/170150904.db2.gz XXJXTSLUYOEPFG-GHMZBOCLSA-N 1 0 233.377 1.732 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cccs2)C1=O ZINC000049648686 170151244 /nfs/dbraw/zinc/15/12/44/170151244.db2.gz GPKIGCUKZVUQEE-SNVBAGLBSA-N 1 0 224.329 1.459 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC000037240647 170152284 /nfs/dbraw/zinc/15/22/84/170152284.db2.gz ZZTIYBOMUOSHCE-CYBMUJFWSA-N 1 0 234.343 1.879 10 0 BDAERO CC[NH2+][C@@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976233 170154270 /nfs/dbraw/zinc/15/42/70/170154270.db2.gz GPXDSWHYXPTLFR-MEBBXXQBSA-N 1 0 227.304 1.988 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1cccc(OCC)c1 ZINC000037870902 170156152 /nfs/dbraw/zinc/15/61/52/170156152.db2.gz UPHKQNSAHWIRJE-NSHDSACASA-N 1 0 222.288 1.221 10 0 BDAERO CCN[C@H](CC[N@H+](C)C1CCCCC1)C(N)=O ZINC000062442911 170161776 /nfs/dbraw/zinc/16/17/76/170161776.db2.gz JTWJMWAKVPZHMX-GFCCVEGCSA-N 1 0 241.379 1.104 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@@H]1n1nc(C)nc1C ZINC000044034471 170165573 /nfs/dbraw/zinc/16/55/73/170165573.db2.gz KEPUBYTWISAGIJ-RYUDHWBXSA-N 1 0 222.336 1.988 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@@H]1CN1CCOCC1 ZINC000060720691 170166199 /nfs/dbraw/zinc/16/61/99/170166199.db2.gz OYPXHFVSDOOYBK-OLZOCXBDSA-N 1 0 226.364 1.487 10 0 BDAERO CC[NH2+][C@H]1CCN(CCc2cccnc2)C[C@@H]1C ZINC000049712936 170167440 /nfs/dbraw/zinc/16/74/40/170167440.db2.gz OUORSNMPJNNZIG-ZFWWWQNUSA-N 1 0 247.386 1.944 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2csc(C)n2)C1=O ZINC000049660157 170167718 /nfs/dbraw/zinc/16/77/18/170167718.db2.gz OKOHZHRWPKCIGI-JTQLQIEISA-N 1 0 239.344 1.162 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccccc2OC)C1=O ZINC000049647170 170168660 /nfs/dbraw/zinc/16/86/60/170168660.db2.gz BJLSZPSFPFRPBF-JTQLQIEISA-N 1 0 234.299 1.410 10 0 BDAERO CC[NH2+][C@]1(CO)CCc2ccccc2C1 ZINC000038120478 170170090 /nfs/dbraw/zinc/17/00/90/170170090.db2.gz RCFAJOYCCIUERU-CYBMUJFWSA-N 1 0 205.301 1.516 10 0 BDAERO CCOC(=O)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000070072899 170192992 /nfs/dbraw/zinc/19/29/92/170192992.db2.gz AMKWISBUBCSFOG-LLVKDONJSA-N 1 0 227.304 1.050 10 0 BDAERO CCOC(=O)CC[NH2+]Cc1ccc(O)c(F)c1 ZINC000083369138 170209163 /nfs/dbraw/zinc/20/91/63/170209163.db2.gz QNAQAMGKGVFTSZ-UHFFFAOYSA-N 1 0 241.262 1.574 10 0 BDAERO CCOC(=O)COCC[N@@H+]1CCS[C@@H](C)C1 ZINC000123549576 170228105 /nfs/dbraw/zinc/22/81/05/170228105.db2.gz MEZDDGYQRQBOCX-JTQLQIEISA-N 1 0 247.360 1.003 10 0 BDAERO CCOC(=O)C[C@H]1[NH2+]C(C)(C)C[C@@H](C)O1 ZINC000038271934 170234565 /nfs/dbraw/zinc/23/45/65/170234565.db2.gz UEMUMNBCXDLAIU-BDAKNGLRSA-N 1 0 215.293 1.443 10 0 BDAERO CCOC(=O)Cc1ccc(NCC[NH3+])cc1 ZINC000066348041 170235323 /nfs/dbraw/zinc/23/53/23/170235323.db2.gz POYRVPVRIKLHQR-UHFFFAOYSA-N 1 0 222.288 1.163 10 0 BDAERO CCOC(=O)N(CC[NH3+])Cc1ccccc1F ZINC000253576515 170238748 /nfs/dbraw/zinc/23/87/48/170238748.db2.gz VXYXTGSFHFZBBP-UHFFFAOYSA-N 1 0 240.278 1.743 10 0 BDAERO CCOC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359113 170239100 /nfs/dbraw/zinc/23/91/00/170239100.db2.gz DQAOUJGPSRMJQM-UWVGGRQHSA-N 1 0 212.293 1.359 10 0 BDAERO CCOC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000062568602 170240183 /nfs/dbraw/zinc/24/01/83/170240183.db2.gz ZDSBXZOKZPFZLV-VIFPVBQESA-N 1 0 200.282 1.073 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1cccc(C)c1 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/nfs/dbraw/zinc/41/20/29/170412029.db2.gz AZYMDTSIMZCWSW-CHWSQXEVSA-N 1 0 247.379 1.425 10 0 BDAERO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)s1 ZINC000657693965 411580007 /nfs/dbraw/zinc/58/00/07/411580007.db2.gz HPFMTBYQVHARDE-JTQLQIEISA-N 1 0 238.356 1.624 10 0 BDAERO Cc1cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cs1 ZINC000657694307 411580712 /nfs/dbraw/zinc/58/07/12/411580712.db2.gz CMHDFACMTKXSQD-SNVBAGLBSA-N 1 0 238.356 1.624 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@H]1C[C@H]1C ZINC000657695968 411581065 /nfs/dbraw/zinc/58/10/65/411581065.db2.gz DKIYHWNOWGEZPU-DBIOUOCHSA-N 1 0 210.321 1.099 10 0 BDAERO CN1C[C@@H](C[NH2+]Cc2cccc(F)c2)CC1=O ZINC000657694926 411581210 /nfs/dbraw/zinc/58/12/10/411581210.db2.gz SFYFVNBXGHIYJJ-LLVKDONJSA-N 1 0 236.290 1.394 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CS1 ZINC000657696755 411581401 /nfs/dbraw/zinc/58/14/01/411581401.db2.gz LZRWTEJPXMURJM-VWYCJHECSA-N 1 0 242.388 1.338 10 0 BDAERO Cc1cc(C)cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 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/nfs/dbraw/zinc/81/66/03/411816603.db2.gz HKFOKGZASLDELP-UHFFFAOYSA-N 1 0 234.347 1.935 10 0 BDAERO CC[C@@H](C)N(CCOC)C(=O)C1CC[NH2+]CC1 ZINC000042591111 170731074 /nfs/dbraw/zinc/73/10/74/170731074.db2.gz DJWALLKIBAHBGX-LLVKDONJSA-N 1 0 242.363 1.260 10 0 BDAERO CC(=O)N1CCC[C@@H](c2ccnc(N)c2)CC1 ZINC000616627346 411854150 /nfs/dbraw/zinc/85/41/50/411854150.db2.gz JPJUVNYMQVDCOF-LLVKDONJSA-N 1 0 233.315 1.780 10 0 BDAERO CC[N@@H+]1CCCC[C@@H](n2ccc(N)n2)C1 ZINC000616656283 411854748 /nfs/dbraw/zinc/85/47/48/411854748.db2.gz VFIZZBVAUTWZJI-SNVBAGLBSA-N 1 0 208.309 1.512 10 0 BDAERO CC[N@@H+]1CCCCC[C@H]1c1cc(N)n[nH]1 ZINC000616620269 411857200 /nfs/dbraw/zinc/85/72/00/411857200.db2.gz FNSDPBXEWXPQEI-JTQLQIEISA-N 1 0 208.309 1.929 10 0 BDAERO CC[N@@H+]1CCOCC[C@H]1c1ccnc(N)c1 ZINC000616598176 411857477 /nfs/dbraw/zinc/85/74/77/411857477.db2.gz MAQUPBDXVPDYTC-NSHDSACASA-N 1 0 221.304 1.447 10 0 BDAERO CC(C)(C)[N@@H+]1CC[C@H](c2cc(N)n[nH]2)C1 ZINC000616613944 411862462 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/nfs/dbraw/zinc/09/86/96/171098696.db2.gz MJKCMUCPYCVBCX-ZIAGYGMSSA-N 1 0 248.374 1.479 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1C1=NCCS1 ZINC000083347598 171101100 /nfs/dbraw/zinc/10/11/00/171101100.db2.gz PNNZHRZPGNZLTL-RKDXNWHRSA-N 1 0 213.350 1.162 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1Cc1cn2ccccc2n1 ZINC000104139545 171101443 /nfs/dbraw/zinc/10/14/43/171101443.db2.gz RLRQKISDBMNHIB-CYBMUJFWSA-N 1 0 244.342 1.518 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1CCCO1 ZINC000082934925 171102086 /nfs/dbraw/zinc/10/20/86/171102086.db2.gz SQRKFEWJRGWHAM-TUAOUCFPSA-N 1 0 212.337 1.238 10 0 BDAERO CC[C@@H]1COCCN1[C@@H]1CCCC[NH2+]C1 ZINC000054135092 171108397 /nfs/dbraw/zinc/10/83/97/171108397.db2.gz BFNWKEKBEKYCSA-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1C(=O)C1([NH3+])CCCC1 ZINC000037616160 171110218 /nfs/dbraw/zinc/11/02/18/171110218.db2.gz XEYRXORTAMLCEA-GHMZBOCLSA-N 1 0 240.347 1.284 10 0 BDAERO CC[C@@](C)(C[NH3+])N1CCOC(C)(C)C1 ZINC000036232264 171167345 /nfs/dbraw/zinc/16/73/45/171167345.db2.gz KIPWOWGZWWUZNW-NSHDSACASA-N 1 0 200.326 1.225 10 0 BDAERO CC[C@@](C)([NH2+]C[C@@H]1Cc2ccccc21)C(N)=O ZINC000310175362 171176559 /nfs/dbraw/zinc/17/65/59/171176559.db2.gz QUNJHISYIGLTCU-SMDDNHRTSA-N 1 0 232.327 1.570 10 0 BDAERO CC[C@@]1(C)OC[C@H](CSC(N)=[NH2+])O1 ZINC000039100909 171209095 /nfs/dbraw/zinc/20/90/95/171209095.db2.gz RXZLZYPRCHRNQH-SVRRBLITSA-N 1 0 204.295 1.155 10 0 BDAERO CC[C@H](C)C(=O)N[C@@H]1c2ccccc2C[C@@H]1[NH3+] ZINC000104308275 171253914 /nfs/dbraw/zinc/25/39/14/171253914.db2.gz WIEOEJZJVHDQEV-TVYUQYBPSA-N 1 0 232.327 1.773 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344026910 171283220 /nfs/dbraw/zinc/28/32/20/171283220.db2.gz JPGKKKAYZCVFNC-HBNTYKKESA-N 1 0 201.310 1.114 10 0 BDAERO CC[C@H](C)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290733 171301790 /nfs/dbraw/zinc/30/17/90/171301790.db2.gz JPKRQADYFORQRR-WDEREUQCSA-N 1 0 212.337 1.633 10 0 BDAERO CC[C@H](C)N(CC[NH3+])Cc1ccncc1 ZINC000076584320 171313364 /nfs/dbraw/zinc/31/33/64/171313364.db2.gz HUNZSJKHKHDLOC-NSHDSACASA-N 1 0 207.321 1.641 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)n1cc[n+](C)c1 ZINC000042589366 171315282 /nfs/dbraw/zinc/31/52/82/171315282.db2.gz WKZFTYIRBPEJQT-NSHDSACASA-N 1 0 240.327 1.028 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000026513293 171335157 /nfs/dbraw/zinc/33/51/57/171335157.db2.gz IMFPTRAWUOMEFA-DCAQKATOSA-N 1 0 228.336 1.058 10 0 BDAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(OC)cc1 ZINC000038065349 171345008 /nfs/dbraw/zinc/34/50/08/171345008.db2.gz LGBXKOVBLBFKQY-JOYOIKCWSA-N 1 0 236.315 1.610 10 0 BDAERO CC[C@H](C)[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000361130770 171346845 /nfs/dbraw/zinc/34/68/45/171346845.db2.gz ZSDFDDKPBRHGMT-WCBMZHEXSA-N 1 0 208.309 1.289 10 0 BDAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(O)cc1 ZINC000038065687 171346881 /nfs/dbraw/zinc/34/68/81/171346881.db2.gz FLBYCIPEPMFPOA-TVQRCGJNSA-N 1 0 236.315 1.481 10 0 BDAERO CC[C@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000036852943 171347453 /nfs/dbraw/zinc/34/74/53/171347453.db2.gz JCOSWFJIQADHCY-CMPLNLGQSA-N 1 0 246.310 1.707 10 0 BDAERO CC[C@H](C)N[C@@]1(C(=O)OC)CC[N@@H+](C2CC2)C1 ZINC000061991667 171347534 /nfs/dbraw/zinc/34/75/34/171347534.db2.gz YKTFKDSTLBNVJR-GWCFXTLKSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@H](C)[NH2+][C@H](C(N)=O)c1ccccc1OC ZINC000038065207 171347896 /nfs/dbraw/zinc/34/78/96/171347896.db2.gz HVDDYCNBFCZZJS-CABZTGNLSA-N 1 0 236.315 1.610 10 0 BDAERO CC[C@H](C)[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000035687804 171348586 /nfs/dbraw/zinc/34/85/86/171348586.db2.gz FVPJDDDUUMVYGH-ONGXEEELSA-N 1 0 239.340 1.903 10 0 BDAERO CC[C@H](C)[C@@H](C[NH3+])N(CCOC)[C@@H](C)COC ZINC000042602967 171368310 /nfs/dbraw/zinc/36/83/10/171368310.db2.gz WBWSRJCQQMXQDN-RWMBFGLXSA-N 1 0 246.395 1.343 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1nnc2cc(C)ncn21 ZINC000050194553 171372756 /nfs/dbraw/zinc/37/27/56/171372756.db2.gz JMJPKMJGQVSDDK-OIBJUYFYSA-N 1 0 219.292 1.479 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309193717 171390547 /nfs/dbraw/zinc/39/05/47/171390547.db2.gz QCFFQQGYXOBFSE-XWLWVQCSSA-N 1 0 212.337 1.678 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309193714 171391184 /nfs/dbraw/zinc/39/11/84/171391184.db2.gz QCFFQQGYXOBFSE-MMWGEVLESA-N 1 0 212.337 1.678 10 0 BDAERO CC[C@H](C)[C@H](CN)[N@H+](CCCOC)CCOC ZINC000042420766 171392338 /nfs/dbraw/zinc/39/23/38/171392338.db2.gz IAYUIOJHAQQMTR-STQMWFEESA-N 1 0 246.395 1.345 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1cccs1 ZINC000662339752 412108364 /nfs/dbraw/zinc/10/83/64/412108364.db2.gz OHUSLFKGEAECGH-BDAKNGLRSA-N 1 0 226.345 1.923 10 0 BDAERO CC[C@H](C[NH3+])NC(=O)[C@H]1COc2ccccc2C1 ZINC000104327123 171430695 /nfs/dbraw/zinc/43/06/95/171430695.db2.gz OZUWVDIGMYCGEM-VXGBXAGGSA-N 1 0 248.326 1.091 10 0 BDAERO O=C(N[C@@H]1CCCOC1)c1cccc2c1C[NH2+]C2 ZINC000662448749 412178231 /nfs/dbraw/zinc/17/82/31/412178231.db2.gz RFSTWWUXHBMWHB-LLVKDONJSA-N 1 0 246.310 1.199 10 0 BDAERO C[C@@H](N[C@@H](C)c1cscn1)[C@@H]1CC[NH2+]C1 ZINC000665241087 412182465 /nfs/dbraw/zinc/18/24/65/412182465.db2.gz ZMMWVXRLZZCNNO-KXUCPTDWSA-N 1 0 225.361 1.792 10 0 BDAERO CC[C@H]([NH3+])Cn1ncc(=O)c2ccccc21 ZINC000050180512 171487572 /nfs/dbraw/zinc/48/75/72/171487572.db2.gz VOBOESCLMXWIQX-VIFPVBQESA-N 1 0 217.272 1.134 10 0 BDAERO CC[C@H]([NH2+][C@@H](CCO)COC)C(C)(C)C ZINC000336769331 171539128 /nfs/dbraw/zinc/53/91/28/171539128.db2.gz UUNNZUYSKJAVRW-QWRGUYRKSA-N 1 0 217.353 1.798 10 0 BDAERO O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662662974 412262753 /nfs/dbraw/zinc/26/27/53/412262753.db2.gz AYWUPRNQRWEDCZ-WTPMCQDGSA-N 1 0 240.322 1.239 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000662696554 412274704 /nfs/dbraw/zinc/27/47/04/412274704.db2.gz NRCUJUJUXXWVEI-WOPDTQHZSA-N 1 0 242.363 1.386 10 0 BDAERO CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000082350207 171629876 /nfs/dbraw/zinc/62/98/76/171629876.db2.gz NRDKNHCJVIZZSP-UWVGGRQHSA-N 1 0 228.336 1.981 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)c1ccccn1 ZINC000662605674 412237165 /nfs/dbraw/zinc/23/71/65/412237165.db2.gz MTAAYSRPOKUTHX-WDEREUQCSA-N 1 0 235.331 1.429 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccccn1 ZINC000662606181 412237417 /nfs/dbraw/zinc/23/74/17/412237417.db2.gz PNCPWOPLVMTIAR-GRYCIOLGSA-N 1 0 247.342 1.429 10 0 BDAERO CC[C@H](C)CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000662855315 412325478 /nfs/dbraw/zinc/32/54/78/412325478.db2.gz HGXZSMNPGKENNU-NSHDSACASA-N 1 0 242.363 1.294 10 0 BDAERO C[C@]1(C(=O)N2CCC[C@H](CCF)C2)CCC[NH2+]1 ZINC000662881044 412334525 /nfs/dbraw/zinc/33/45/25/412334525.db2.gz SQEZFTVBOXAZSX-DGCLKSJQSA-N 1 0 242.338 1.727 10 0 BDAERO C[C@@]1(C(=O)NC2CC3(CCC3)C2)CCCC[NH2+]1 ZINC000662905353 412340917 /nfs/dbraw/zinc/34/09/17/412340917.db2.gz AYIDLHFKKVZLFI-ZDUSSCGKSA-N 1 0 236.359 1.968 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](C(=O)NC2CC3(CCC3)C2)C1 ZINC000662908252 412342293 /nfs/dbraw/zinc/34/22/93/412342293.db2.gz HQFCQNXRJPWWIF-MNOVXSKESA-N 1 0 236.359 1.953 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1CC2(CCC2)C1 ZINC000662908138 412342337 /nfs/dbraw/zinc/34/23/37/412342337.db2.gz ZFLHAAFPJOGAQP-PWSUYJOCSA-N 1 0 236.359 1.810 10 0 BDAERO CN(C(=O)CCC1CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662985392 412362870 /nfs/dbraw/zinc/36/28/70/412362870.db2.gz XHROBBQXNOYSQF-QMMMGPOBSA-N 1 0 238.253 1.525 10 0 BDAERO CN(C(=O)c1cccnc1)[C@H](C[NH3+])C(F)(F)F ZINC000662981405 412362933 /nfs/dbraw/zinc/36/29/33/412362933.db2.gz PTASXABWIYPGRQ-MRVPVSSYSA-N 1 0 247.220 1.043 10 0 BDAERO C[NH2+]CCOCCNc1ccc(Cl)cn1 ZINC000630530002 412292237 /nfs/dbraw/zinc/29/22/37/412292237.db2.gz FEMKFVXLGCBHAZ-UHFFFAOYSA-N 1 0 229.711 1.383 10 0 BDAERO CCc1c(C[NH3+])nnn1-c1cccc(F)c1 ZINC000062239875 171743308 /nfs/dbraw/zinc/74/33/08/171743308.db2.gz RWTXNVFSHXGWHV-UHFFFAOYSA-N 1 0 220.251 1.428 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)CCS1 ZINC000132988097 412384407 /nfs/dbraw/zinc/38/44/07/412384407.db2.gz TXRXUBNUECNINH-MNOVXSKESA-N 1 0 244.404 1.714 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)C1CC1 ZINC000132988887 412385092 /nfs/dbraw/zinc/38/50/92/412385092.db2.gz OSNGWIXSURWLGU-GXSJLCMTSA-N 1 0 212.337 1.522 10 0 BDAERO CCCc1nccnc1N1CCC([C@@H](C)[NH3+])CC1 ZINC000663270283 412403618 /nfs/dbraw/zinc/40/36/18/412403618.db2.gz JYSJFACZQJCTNK-LLVKDONJSA-N 1 0 248.374 1.993 10 0 BDAERO CCCc1nccnc1NC[C@@H]1CCC[NH2+]C1 ZINC000663270888 412403651 /nfs/dbraw/zinc/40/36/51/412403651.db2.gz SVPLNSFJBLYBMI-LLVKDONJSA-N 1 0 234.347 1.841 10 0 BDAERO CCCc1nccnc1N1CCC[C@H]([NH3+])C1 ZINC000663270840 412403701 /nfs/dbraw/zinc/40/37/01/412403701.db2.gz RTGUTVXCBIHXLW-JTQLQIEISA-N 1 0 220.320 1.357 10 0 BDAERO c1ccc2oc(NCC34CC(C3)C[NH2+]4)nc2c1 ZINC000663273300 412404344 /nfs/dbraw/zinc/40/43/44/412404344.db2.gz DFNDYMOLAUBOGY-UHFFFAOYSA-N 1 0 229.283 1.992 10 0 BDAERO Cc1cnc(C)c(NCC[C@@H]([NH3+])C(C)C)n1 ZINC000663275681 412405643 /nfs/dbraw/zinc/40/56/43/412405643.db2.gz BHEIOTPCVULPFJ-LLVKDONJSA-N 1 0 222.336 1.879 10 0 BDAERO CCCc1nccnc1NC[C@@H]([NH3+])CC ZINC000663275469 412405721 /nfs/dbraw/zinc/40/57/21/412405721.db2.gz XRHVMSKHAIOYPJ-VIFPVBQESA-N 1 0 208.309 1.578 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ncnc2c1CCCC2 ZINC000663278342 412407202 /nfs/dbraw/zinc/40/72/02/412407202.db2.gz GNKWNJOFPLFQQH-SECBINFHSA-N 1 0 220.320 1.375 10 0 BDAERO CCc1ccc(N2C[C@H]([NH3+])CC2=O)cc1 ZINC000020384477 171816545 /nfs/dbraw/zinc/81/65/45/171816545.db2.gz ONOVJRHJJAPVIE-SNVBAGLBSA-N 1 0 204.273 1.313 10 0 BDAERO CCc1ccc(OC[C@H](O)CC[NH3+])cc1 ZINC000020399777 171827713 /nfs/dbraw/zinc/82/77/13/171827713.db2.gz JXKNENWLGZQGOT-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO CCc1ccc(SC[C@H](O)C[NH2+]C)cc1 ZINC000019686897 171829176 /nfs/dbraw/zinc/82/91/76/171829176.db2.gz ZXGOMGNVWSCTMP-LLVKDONJSA-N 1 0 225.357 1.921 10 0 BDAERO C[C@@H]1CN(CCOCc2ccccc2)C[C@@H]1[NH3+] ZINC000306635830 487623788 /nfs/dbraw/zinc/62/37/88/487623788.db2.gz ALVPRXZEJRPGFM-OCCSQVGLSA-N 1 0 234.343 1.482 10 0 BDAERO CCc1nc(CC[NH2+][C@@H](CC)C2CC2)no1 ZINC000129288607 171969990 /nfs/dbraw/zinc/96/99/90/171969990.db2.gz AAAXHLZZCUNSKH-JTQLQIEISA-N 1 0 223.320 1.953 10 0 BDAERO CCc1nnc([C@@]2([NH3+])CCC[C@H](C)C2)[nH]1 ZINC000041036529 172004220 /nfs/dbraw/zinc/00/42/20/172004220.db2.gz JWFRFAMUQYOBPG-GZMMTYOYSA-N 1 0 208.309 1.731 10 0 BDAERO CCc1nc2c(s1)CN(CC[NH3+])CC2 ZINC000041583303 172008917 /nfs/dbraw/zinc/00/89/17/172008917.db2.gz HTKYHDFFKUMOFM-UHFFFAOYSA-N 1 0 211.334 1.022 10 0 BDAERO CCc1ncc(C[NH2+]C[C@H]2CCC[C@H]2O)s1 ZINC000084230286 172018225 /nfs/dbraw/zinc/01/82/25/172018225.db2.gz CXZIJLBRVFFPDA-MWLCHTKSSA-N 1 0 240.372 1.956 10 0 BDAERO CCc1nccn1Cc1ccccc1C[NH3+] ZINC000042419644 172028219 /nfs/dbraw/zinc/02/82/19/172028219.db2.gz MVWHAXXERAEKFK-UHFFFAOYSA-N 1 0 215.300 1.953 10 0 BDAERO CCc1nnc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])s1 ZINC000226298949 172058744 /nfs/dbraw/zinc/05/87/44/172058744.db2.gz ODVPCPIAFNVOSQ-BQBZGAKWSA-N 1 0 240.332 1.166 10 0 BDAERO CCc1noc(C2CCC(C[NH3+])CC2)n1 ZINC000045894425 172081925 /nfs/dbraw/zinc/08/19/25/172081925.db2.gz SCVPJLGOWAXHFI-UHFFFAOYSA-N 1 0 209.293 1.865 10 0 BDAERO CCc1nsc(N[C@@H]2CC[C@@H]([NH+](C)C)C2)n1 ZINC000301914928 172106395 /nfs/dbraw/zinc/10/63/95/172106395.db2.gz GBWRAFSXYIEVFP-RKDXNWHRSA-N 1 0 240.376 1.995 10 0 BDAERO CCn1c(C)nnc1-c1cccc(C[NH3+])c1 ZINC000042029828 172138465 /nfs/dbraw/zinc/13/84/65/172138465.db2.gz FAJQDCTZFRYPJA-UHFFFAOYSA-N 1 0 216.288 1.732 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@H]1CCC[C@H]1C ZINC000336779680 172138626 /nfs/dbraw/zinc/13/86/26/172138626.db2.gz PDUWIOCANBATQV-KOLCDFICSA-N 1 0 222.336 1.885 10 0 BDAERO CCn1cc(-c2c[nH]c([C@H](C)[NH3+])n2)cn1 ZINC000044496908 172149281 /nfs/dbraw/zinc/14/92/81/172149281.db2.gz HHBAPGJYMJMSAK-ZETCQYMHSA-N 1 0 205.265 1.313 10 0 BDAERO CCn1cc(CC[NH2+][C@@H]2CCO[C@@H]2C)cn1 ZINC000292382435 172160548 /nfs/dbraw/zinc/16/05/48/172160548.db2.gz RSHXJGDKVMBUAN-ZYHUDNBSSA-N 1 0 223.320 1.213 10 0 BDAERO CCn1cc(CN2CCC[C@H]2C[NH2+]C2CC2)cn1 ZINC000053649571 172165807 /nfs/dbraw/zinc/16/58/07/172165807.db2.gz KWSWEHWNCDCTJX-AWEZNQCLSA-N 1 0 248.374 1.619 10 0 BDAERO CCn1cc(C[C@@H]([NH3+])c2ccco2)cn1 ZINC000054446370 172176709 /nfs/dbraw/zinc/17/67/09/172176709.db2.gz SNMFWQCTCJOVGH-SNVBAGLBSA-N 1 0 205.261 1.739 10 0 BDAERO CCn1cc(Cn2ccnc2C[C@H](C)[NH3+])cn1 ZINC000062802898 172178510 /nfs/dbraw/zinc/17/85/10/172178510.db2.gz SJADIYXNNDHYLA-JTQLQIEISA-N 1 0 233.319 1.038 10 0 BDAERO CCn1cc([C@@H]([NH3+])c2ccncc2)cn1 ZINC000043469155 172195316 /nfs/dbraw/zinc/19/53/16/172195316.db2.gz NDSJHHVAISCHON-NSHDSACASA-N 1 0 202.261 1.346 10 0 BDAERO CCn1cnnc1C1CC[NH+](CCOC)CC1 ZINC000105928909 172234816 /nfs/dbraw/zinc/23/48/16/172234816.db2.gz JBHOEASEWJUSGV-UHFFFAOYSA-N 1 0 238.335 1.124 10 0 BDAERO CCn1nc(C)c(-c2c[nH]c(C[NH3+])n2)c1C ZINC000045169271 172242007 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/nfs/dbraw/zinc/47/76/51/172477651.db2.gz FZFHBMMTKKWEQH-UHFFFAOYSA-N 1 0 204.273 1.978 10 0 BDAERO C[NH+](C)CCn1cccc1[C@@H](N)C(F)(F)F ZINC000011848773 172480389 /nfs/dbraw/zinc/48/03/89/172480389.db2.gz NDUVWISDDJRLHC-SECBINFHSA-N 1 0 235.253 1.612 10 0 BDAERO CN(C)Nc1[nH+]cnc(Nc2ccccc2)c1N ZINC000040759944 172509488 /nfs/dbraw/zinc/50/94/88/172509488.db2.gz PUEULPZSRAWJDK-UHFFFAOYSA-N 1 0 244.302 1.691 10 0 BDAERO C[N@H+](C1CCOCC1)[C@](C)(CN)C1CC1 ZINC000036320801 172599120 /nfs/dbraw/zinc/59/91/20/172599120.db2.gz XRAHTLLWECTGQT-GFCCVEGCSA-N 1 0 212.337 1.225 10 0 BDAERO CN(CCCn1ccnc1)c1cc[nH+]cc1N ZINC000049328444 172722886 /nfs/dbraw/zinc/72/28/86/172722886.db2.gz AYBXQFFTLIFPCU-UHFFFAOYSA-N 1 0 231.303 1.387 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)c1ccc(Cl)nn1 ZINC000095070912 172809456 /nfs/dbraw/zinc/80/94/56/172809456.db2.gz NXBVFSDRVSFBMB-QMMMGPOBSA-N 1 0 226.711 1.318 10 0 BDAERO CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)n1cc[n+](C)c1 ZINC000104243972 172834414 /nfs/dbraw/zinc/83/44/14/172834414.db2.gz TWYXVDARVMBIEI-YNEHKIRRSA-N 1 0 248.350 1.649 10 0 BDAERO CN(Cc1cccnc1)[C@H](C[NH3+])c1cccnc1 ZINC000036770885 172885811 /nfs/dbraw/zinc/88/58/11/172885811.db2.gz CEHVZNGWPPGGSD-CQSZACIVSA-N 1 0 242.326 1.608 10 0 BDAERO CN(c1nc2ccccc2[nH]1)C1CC[NH2+]CC1 ZINC000095070663 172952679 /nfs/dbraw/zinc/95/26/79/172952679.db2.gz NCOKCXDCJZVYRD-UHFFFAOYSA-N 1 0 230.315 1.751 10 0 BDAERO C[NH+]1CCC2(CC1)Cc1ccccc1C(=O)N2 ZINC000039294220 173003627 /nfs/dbraw/zinc/00/36/27/173003627.db2.gz VJAVBQMQGUUBRN-UHFFFAOYSA-N 1 0 230.311 1.437 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CNc1cccc(C(N)=O)c1 ZINC000054240125 173004661 /nfs/dbraw/zinc/00/46/61/173004661.db2.gz PPEIXUXUOVTLLP-CYBMUJFWSA-N 1 0 247.342 1.682 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CC[NH+](CC(=O)[O-])C1CC1 ZINC000037598275 173007507 /nfs/dbraw/zinc/00/75/07/173007507.db2.gz GUHLHVVLFDSRBR-NSHDSACASA-N 1 0 240.347 1.410 10 0 BDAERO C[N@@H+]1CCCN(c2ccc(CO)cc2F)CC1 ZINC000034956837 173015806 /nfs/dbraw/zinc/01/58/06/173015806.db2.gz NJTGXZACKHSOHP-UHFFFAOYSA-N 1 0 238.306 1.460 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ccc(N)nc2)C1 ZINC000040715739 173020878 /nfs/dbraw/zinc/02/08/78/173020878.db2.gz KRLFFUVRCAMURN-SNVBAGLBSA-N 1 0 206.293 1.170 10 0 BDAERO C[N@@H+]1CCC[C@H](CNc2ccnc(Cl)n2)C1 ZINC000051850208 173041827 /nfs/dbraw/zinc/04/18/27/173041827.db2.gz OGQUDGHRSZEUOK-SECBINFHSA-N 1 0 240.738 1.884 10 0 BDAERO CN(c1cccc(N)c1)[C@H]1CCC[N@H+](C)C1 ZINC000053205880 173044818 /nfs/dbraw/zinc/04/48/18/173044818.db2.gz WUUWITUYFSXCRW-ZDUSSCGKSA-N 1 0 219.332 1.799 10 0 BDAERO C[N@@H+]1CCN(CC2CC2)c2ncccc2C1 ZINC000096198932 173078572 /nfs/dbraw/zinc/07/85/72/173078572.db2.gz PVYXHMVYKJJHOH-UHFFFAOYSA-N 1 0 217.316 1.743 10 0 BDAERO C[NH+]1CCN(Cc2ccc(Cl)cc2N)CC1 ZINC000050442815 173087653 /nfs/dbraw/zinc/08/76/53/173087653.db2.gz KJDRNNUBJYFRRJ-UHFFFAOYSA-N 1 0 239.750 1.670 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000308837286 173102311 /nfs/dbraw/zinc/10/23/11/173102311.db2.gz WVCVYMDURMYFKD-WDEREUQCSA-N 1 0 212.337 1.095 10 0 BDAERO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC23CCCC3)C1 ZINC000336327431 173109406 /nfs/dbraw/zinc/10/94/06/173109406.db2.gz FSOSOAXPLLWAGR-VXGBXAGGSA-N 1 0 236.359 1.777 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)c1cncc(Cl)n1 ZINC000070823818 173113632 /nfs/dbraw/zinc/11/36/32/173113632.db2.gz DGZCGISPFNSQQH-SECBINFHSA-N 1 0 240.738 1.518 10 0 BDAERO C[N@@H+]1CC[C@@H](CNCc2ccc(Cl)o2)C1 ZINC000037655382 173115100 /nfs/dbraw/zinc/11/51/00/173115100.db2.gz GKKGERROKQJLLH-VIFPVBQESA-N 1 0 228.723 1.974 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2ccc(Cl)nn2)C1 ZINC000037485164 173117751 /nfs/dbraw/zinc/11/77/51/173117751.db2.gz RMVGTXCBHPDQDA-QMMMGPOBSA-N 1 0 226.711 1.494 10 0 BDAERO CN1CC[C@@H]([NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000238855707 173120720 /nfs/dbraw/zinc/12/07/20/173120720.db2.gz SSVHXBQGSQFNJU-GHMZBOCLSA-N 1 0 212.243 1.669 10 0 BDAERO CN1CC[C@@H]([NH2+]Cc2ccccc2)C1=O ZINC000070582756 173124752 /nfs/dbraw/zinc/12/47/52/173124752.db2.gz ZPTOOHYQYOSSLV-LLVKDONJSA-N 1 0 204.273 1.007 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2c(N)ccc(F)c2F)C1 ZINC000053166233 173125754 /nfs/dbraw/zinc/12/57/54/173125754.db2.gz SHXADIXUQAZSHU-SSDOTTSWSA-N 1 0 227.258 1.663 10 0 BDAERO CN(C)c1ccc(N[C@@H]2CC[N@H+](C)C2)cc1 ZINC000061984994 173126660 /nfs/dbraw/zinc/12/66/60/173126660.db2.gz QMHYHAQMNWMDRC-GFCCVEGCSA-N 1 0 219.332 1.869 10 0 BDAERO C[N@@H+]1CC[C@@H](n2c(N)[nH+]c3ccc(F)cc32)C1 ZINC000052123002 173127587 /nfs/dbraw/zinc/12/75/87/173127587.db2.gz OHUBACVWBJFDHZ-SECBINFHSA-N 1 0 234.278 1.634 10 0 BDAERO C[N@@H+]1CC[C@@H]2Nc3ccc(O)cc3[C@@H]2C1 ZINC000028572609 173133552 /nfs/dbraw/zinc/13/35/52/173133552.db2.gz PFJAOABNQDBFHO-JQWIXIFHSA-N 1 0 204.273 1.605 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc(N)c3ncccc23)C1 ZINC000042545016 173154965 /nfs/dbraw/zinc/15/49/65/173154965.db2.gz OVKHJFKKVKXJPG-JTQLQIEISA-N 1 0 242.326 1.933 10 0 BDAERO CN1Cc2nc([C@H]3CCC[NH2+]3)sc2C1 ZINC000082374819 173201537 /nfs/dbraw/zinc/20/15/37/173201537.db2.gz XRWROTRNBOPEPD-SSDOTTSWSA-N 1 0 209.318 1.513 10 0 BDAERO CN1c2ccc(O)cc2[C@]2(C)CC[NH2+][C@H]12 ZINC000026384221 173208168 /nfs/dbraw/zinc/20/81/68/173208168.db2.gz FFIJQGXPIZOIHM-NEPJUHHUSA-N 1 0 204.273 1.419 10 0 BDAERO CNC(=O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020038151 173276943 /nfs/dbraw/zinc/27/69/43/173276943.db2.gz WCGROHAQIGJQOO-UHFFFAOYSA-N 1 0 222.332 1.291 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C[NH3+] ZINC000036894910 173295894 /nfs/dbraw/zinc/29/58/94/173295894.db2.gz OJYCUZNZWPLPCA-SSDOTTSWSA-N 1 0 242.706 1.312 10 0 BDAERO CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000077391816 173296250 /nfs/dbraw/zinc/29/62/50/173296250.db2.gz OKTCQXXXIWTYOI-QMMMGPOBSA-N 1 0 243.104 1.195 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627262 173302909 /nfs/dbraw/zinc/30/29/09/173302909.db2.gz DJZZGSMTKUJBGY-QMMMGPOBSA-N 1 0 238.356 1.461 10 0 BDAERO CNC(=O)[C@H](C)Oc1cccc([C@H](C)[NH2+]C)c1 ZINC000034821947 173304508 /nfs/dbraw/zinc/30/45/08/173304508.db2.gz OPYGWMVXFBVRTD-UWVGGRQHSA-N 1 0 236.315 1.480 10 0 BDAERO CNC(=O)c1cc(N[C@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000038050757 173309881 /nfs/dbraw/zinc/30/98/81/173309881.db2.gz FXVVOPZJIBXLLU-MNOVXSKESA-N 1 0 248.330 1.123 10 0 BDAERO CNC(=O)c1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040659 173311769 /nfs/dbraw/zinc/31/17/69/173311769.db2.gz KBLOGKCBTRSWKR-UHFFFAOYSA-N 1 0 233.315 1.210 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)C[C@@H]1CCCCO1 ZINC000061318811 173317320 /nfs/dbraw/zinc/31/73/20/173317320.db2.gz SZSOQPPZLXGENP-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(C)cc1 ZINC000061300232 173318242 /nfs/dbraw/zinc/31/82/42/173318242.db2.gz HHGSRWXFSFEYLM-UHFFFAOYSA-N 1 0 220.316 1.609 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccccc1F ZINC000061300211 173318439 /nfs/dbraw/zinc/31/84/39/173318439.db2.gz HSOBWJAUIIEHGV-UHFFFAOYSA-N 1 0 224.279 1.440 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccncc1 ZINC000061300443 173318608 /nfs/dbraw/zinc/31/86/08/173318608.db2.gz NWXDULQHDLBGBV-SECBINFHSA-N 1 0 221.304 1.257 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccccc1 ZINC000061300039 173318662 /nfs/dbraw/zinc/31/86/62/173318662.db2.gz ZNHOOOQGBLSJRY-JTQLQIEISA-N 1 0 220.316 1.862 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC[C@@H]1CC=CCC1 ZINC000061319096 173318680 /nfs/dbraw/zinc/31/86/80/173318680.db2.gz HIKOVOHHMQSFQK-SNVBAGLBSA-N 1 0 210.321 1.457 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccsc1 ZINC000061366077 173318748 /nfs/dbraw/zinc/31/87/48/173318748.db2.gz VZCVFSVXWXDNCT-MRVPVSSYSA-N 1 0 226.345 1.923 10 0 BDAERO C[NH2+]C1CCN(C(=O)OC(C)C)CC1 ZINC000044238565 173323376 /nfs/dbraw/zinc/32/33/76/173323376.db2.gz BXGGNNNDVURZMC-UHFFFAOYSA-N 1 0 200.282 1.215 10 0 BDAERO C[NH2+]CC(=O)NCCCc1ccc(C)c(C)c1 ZINC000077369816 173329293 /nfs/dbraw/zinc/32/92/93/173329293.db2.gz CPIKFBALXHGBQX-UHFFFAOYSA-N 1 0 234.343 1.572 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000037045350 173334011 /nfs/dbraw/zinc/33/40/11/173334011.db2.gz HRSAVRJNLDHZQG-UHFFFAOYSA-N 1 0 230.271 1.235 10 0 BDAERO C[NH2+]CC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000049500011 173335072 /nfs/dbraw/zinc/33/50/72/173335072.db2.gz SYEXTXJAHSPDJX-UHFFFAOYSA-N 1 0 227.333 1.599 10 0 BDAERO C[NH2+]CC(=O)c1cc(F)ccc1Cl ZINC000082913430 173336494 /nfs/dbraw/zinc/33/64/94/173336494.db2.gz GAGRZIGCRAWFKJ-UHFFFAOYSA-N 1 0 201.628 1.881 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc2oc(C)nc2c1 ZINC000077421101 173342222 /nfs/dbraw/zinc/34/22/22/173342222.db2.gz QEFCYGOWEYBXLT-UHFFFAOYSA-N 1 0 248.282 1.789 10 0 BDAERO C[NH2+]CCCNC(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000121534719 173348934 /nfs/dbraw/zinc/34/89/34/173348934.db2.gz PHIIEIUTBAIXTF-KBPBESRZSA-N 1 0 246.354 1.824 10 0 BDAERO C[NH2+]CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000062367577 173349766 /nfs/dbraw/zinc/34/97/66/173349766.db2.gz ZJIFNSCMSCEDMA-UHFFFAOYSA-N 1 0 234.299 1.560 10 0 BDAERO C[NH2+]CCN(C)Cc1cc(C)cc(C)c1OC ZINC000077373187 173352976 /nfs/dbraw/zinc/35/29/76/173352976.db2.gz OVIQZGKQAWUAAE-UHFFFAOYSA-N 1 0 236.359 1.963 10 0 BDAERO C[NH2+]CCN1c2ccccc2CCCC1=O ZINC000042410336 173354183 /nfs/dbraw/zinc/35/41/83/173354183.db2.gz HWEIQUALPVURBJ-UHFFFAOYSA-N 1 0 218.300 1.575 10 0 BDAERO C[NH2+]CCOCCc1ccc2ncoc2c1 ZINC000077330721 173356955 /nfs/dbraw/zinc/35/69/55/173356955.db2.gz IJKMXZPCFGNOCI-UHFFFAOYSA-N 1 0 220.272 1.606 10 0 BDAERO C[NH2+]CCNc1cc(OC)ccc1OC ZINC000058839935 173357013 /nfs/dbraw/zinc/35/70/13/173357013.db2.gz AEVYZLVNZWVEMQ-UHFFFAOYSA-N 1 0 210.277 1.335 10 0 BDAERO C[NH2+]CCOCCc1c[nH]c2ccccc12 ZINC000077326751 173357089 /nfs/dbraw/zinc/35/70/89/173357089.db2.gz UZAHVBQUYASIMR-UHFFFAOYSA-N 1 0 218.300 1.946 10 0 BDAERO C[NH2+]CCS(=O)(=O)Cc1ccccc1Cl ZINC000058827199 173357831 /nfs/dbraw/zinc/35/78/31/173357831.db2.gz PYLNAQQWJFYZAO-UHFFFAOYSA-N 1 0 247.747 1.474 10 0 BDAERO C[NH2+]CCc1nnc(-c2ccccc2C)o1 ZINC000050619465 173361742 /nfs/dbraw/zinc/36/17/42/173361742.db2.gz WQCDFLNKZSPIDB-UHFFFAOYSA-N 1 0 217.272 1.807 10 0 BDAERO C[NH2+]CCc1nnc(-c2ccc(F)cc2)o1 ZINC000050619673 173362172 /nfs/dbraw/zinc/36/21/72/173362172.db2.gz OLOOYLOHPWEGJJ-UHFFFAOYSA-N 1 0 221.235 1.638 10 0 BDAERO C[NH2+]C[C@@H](C)CN1CCc2sccc2C1 ZINC000052382911 173363837 /nfs/dbraw/zinc/36/38/37/173363837.db2.gz WBSDKEJITXYGAO-SNVBAGLBSA-N 1 0 224.373 1.962 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1ccccc1Br ZINC000071558637 173365708 /nfs/dbraw/zinc/36/57/08/173365708.db2.gz ZDGWJRHDBAKBAP-VIFPVBQESA-N 1 0 244.132 1.572 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1ccc(C)cc1 ZINC000019686863 173365326 /nfs/dbraw/zinc/36/53/26/173365326.db2.gz CNFRTXJNPDNFRP-SNVBAGLBSA-N 1 0 211.330 1.667 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1ccc(C(C)C)cc1 ZINC000041216301 173365509 /nfs/dbraw/zinc/36/55/09/173365509.db2.gz OWKXZYBARVELRZ-ZDUSSCGKSA-N 1 0 207.317 1.933 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1ccc(F)cc1 ZINC000019686867 173365575 /nfs/dbraw/zinc/36/55/75/173365575.db2.gz IWRJDSUQUXWYQL-SECBINFHSA-N 1 0 215.293 1.498 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1nc2ccccc2[nH]1 ZINC000019865186 173365776 /nfs/dbraw/zinc/36/57/76/173365776.db2.gz WOJKMBMYIUYCJL-MRVPVSSYSA-N 1 0 237.328 1.235 10 0 BDAERO C[NH2+]C[C@@H]1CN(CCc2ccccc2)CCO1 ZINC000071544651 173371795 /nfs/dbraw/zinc/37/17/95/173371795.db2.gz JRKBBPJSEVLWAB-CQSZACIVSA-N 1 0 234.343 1.149 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc(Cl)s1 ZINC000036157848 173372367 /nfs/dbraw/zinc/37/23/67/173372367.db2.gz YMTBHEPBURDONG-MRVPVSSYSA-N 1 0 205.710 1.828 10 0 BDAERO C[NH2+]C[C@@H]1Cc2cc(OC)c(OC)cc21 ZINC000022007316 173372570 /nfs/dbraw/zinc/37/25/70/173372570.db2.gz SAVVFXUMMFHSJC-VIFPVBQESA-N 1 0 207.273 1.563 10 0 BDAERO C[NH2+]C[C@@](C)(O)Cc1c(F)cccc1Cl ZINC000019684546 173372630 /nfs/dbraw/zinc/37/26/30/173372630.db2.gz UQKFSMWZNSBDTO-NSHDSACASA-N 1 0 231.698 1.992 10 0 BDAERO C[NH2+]C[C@@]1(Cc2ccccc2F)CCOC1 ZINC000054663735 173373334 /nfs/dbraw/zinc/37/33/34/173373334.db2.gz CYQRSOCPYQQKKX-ZDUSSCGKSA-N 1 0 223.291 1.994 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ccc2c(c1)OCO2 ZINC000052648860 173375957 /nfs/dbraw/zinc/37/59/57/173375957.db2.gz XDJFOAVPQBJHKO-QMMMGPOBSA-N 1 0 209.245 1.402 10 0 BDAERO C[NH2+]C[C@H](C)OCc1cnn(-c2ccccc2)c1 ZINC000051842319 173376194 /nfs/dbraw/zinc/37/61/94/173376194.db2.gz AAXFQWZATJMSOL-LBPRGKRZSA-N 1 0 245.326 1.997 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ncnc2ccsc21 ZINC000051867544 173376291 /nfs/dbraw/zinc/37/62/91/173376291.db2.gz WEKWMAJGBICGPE-ZETCQYMHSA-N 1 0 223.301 1.678 10 0 BDAERO C[NH2+]C[C@H](O)COc1ccc(Cl)cc1C ZINC000019864738 173376781 /nfs/dbraw/zinc/37/67/81/173376781.db2.gz BEKLGKUXXPFJTC-JTQLQIEISA-N 1 0 229.707 1.608 10 0 BDAERO C[NH2+]C[C@H](O)Cc1cccc(Br)c1 ZINC000041289819 173376791 /nfs/dbraw/zinc/37/67/91/173376791.db2.gz XPRSOSZLVZHYOM-SNVBAGLBSA-N 1 0 244.132 1.572 10 0 BDAERO C[NH2+]C[C@H](O)c1cc2cccc(C)c2o1 ZINC000082934364 173377235 /nfs/dbraw/zinc/37/72/35/173377235.db2.gz HINXBAQUUFBAPM-JTQLQIEISA-N 1 0 205.257 1.994 10 0 BDAERO C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000055027362 173377338 /nfs/dbraw/zinc/37/73/38/173377338.db2.gz ITXZTKCVIMELEV-VIFPVBQESA-N 1 0 219.206 1.958 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1ccnc2cccnc21 ZINC000341009650 173380946 /nfs/dbraw/zinc/38/09/46/173380946.db2.gz BTRVJDKVQIGSBT-LLVKDONJSA-N 1 0 242.326 1.818 10 0 BDAERO C[NH2+]C[C@H]1CN(c2ccc(C)cc2)C(=O)O1 ZINC000077330570 173382688 /nfs/dbraw/zinc/38/26/88/173382688.db2.gz DVVQMRYNKHQGOE-NSHDSACASA-N 1 0 220.272 1.540 10 0 BDAERO C[NH2+]C[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000054588896 173382855 /nfs/dbraw/zinc/38/28/55/173382855.db2.gz YQCIHASCUVORFM-MNOVXSKESA-N 1 0 219.284 1.781 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N(C)C1CCCC1 ZINC000034824797 173383882 /nfs/dbraw/zinc/38/38/82/173383882.db2.gz MMCBXWLTLLPZFP-UHFFFAOYSA-N 1 0 236.363 1.827 10 0 BDAERO C[NH2+]Cc1c(C)cc(C)nc1-n1ccnc1 ZINC000051490089 173383920 /nfs/dbraw/zinc/38/39/20/173383920.db2.gz PAPJBQMTNLQQNU-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1c(-n2ccc(C)n2)nc2ccccn21 ZINC000052884774 173384439 /nfs/dbraw/zinc/38/44/39/173384439.db2.gz BKNAKAGUCJBVTM-UHFFFAOYSA-N 1 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C[NH2+]Cc1cccc(N2CCCSCC2)n1 ZINC000051520724 173389723 /nfs/dbraw/zinc/38/97/23/173389723.db2.gz JDQDFPZNINFAPR-UHFFFAOYSA-N 1 0 237.372 1.744 10 0 BDAERO C[NH2+]Cc1cccnc1N1CCCOCC1 ZINC000061935315 173391227 /nfs/dbraw/zinc/39/12/27/173391227.db2.gz YOJJTUIYAFTERQ-UHFFFAOYSA-N 1 0 221.304 1.028 10 0 BDAERO C[NH2+]Cc1ccnc(N(C)[C@@H]2CCSC2)c1 ZINC000051442050 173391303 /nfs/dbraw/zinc/39/13/03/173391303.db2.gz AKYKQNQRPBPJNO-LLVKDONJSA-N 1 0 237.372 1.743 10 0 BDAERO C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000051522210 173391398 /nfs/dbraw/zinc/39/13/98/173391398.db2.gz WLODRBTWLDMVQF-UHFFFAOYSA-N 1 0 222.288 1.359 10 0 BDAERO C[NH2+]Cc1cccnc1N(C)[C@@H]1CCSC1 ZINC000051441947 173391494 /nfs/dbraw/zinc/39/14/94/173391494.db2.gz RLKKBENBPQASEK-LLVKDONJSA-N 1 0 237.372 1.743 10 0 BDAERO C[NH2+]Cc1cccnc1N(C)Cc1cnn(C)c1 ZINC000051518254 173391547 /nfs/dbraw/zinc/39/15/47/173391547.db2.gz WLYODCTZNQSEEN-UHFFFAOYSA-N 1 0 245.330 1.171 10 0 BDAERO C[NH2+]Cc1cnc(-n2cccn2)c(Cl)c1 ZINC000051489326 173392019 /nfs/dbraw/zinc/39/20/19/173392019.db2.gz KJHHNDVDVWWDJS-UHFFFAOYSA-N 1 0 222.679 1.640 10 0 BDAERO C[NH2+]Cc1cnc(COc2ccccc2)nc1 ZINC000054855547 173392341 /nfs/dbraw/zinc/39/23/41/173392341.db2.gz XQIRUVAKZKPPPK-UHFFFAOYSA-N 1 0 229.283 1.775 10 0 BDAERO C[NH2+]Cc1cnc(Cc2ccccn2)s1 ZINC000040996557 173392372 /nfs/dbraw/zinc/39/23/72/173392372.db2.gz GFQCTKWSDZFCAH-UHFFFAOYSA-N 1 0 219.313 1.848 10 0 BDAERO C[NH2+]Cc1cnc(N2CCCO[C@@H](C)C2)s1 ZINC000061936769 173392395 /nfs/dbraw/zinc/39/23/95/173392395.db2.gz DCKYSMWURDAXRK-VIFPVBQESA-N 1 0 241.360 1.478 10 0 BDAERO C[NH2+]Cc1cnc(-c2c(C)nn(C)c2C)s1 ZINC000040996951 173392676 /nfs/dbraw/zinc/39/26/76/173392676.db2.gz FPQBASSMZYDXIH-UHFFFAOYSA-N 1 0 236.344 1.880 10 0 BDAERO C[NH2+]Cc1cnc(C(C)C)nc1CN(C)C ZINC000026510637 173392708 /nfs/dbraw/zinc/39/27/08/173392708.db2.gz PFWYVZJKZVJBHF-UHFFFAOYSA-N 1 0 222.336 1.381 10 0 BDAERO C[NH2+]Cc1cnn(C)c1-c1ccccc1 ZINC000042188598 173392829 /nfs/dbraw/zinc/39/28/29/173392829.db2.gz 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COc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C)cc1 ZINC000042960477 175182004 /nfs/dbraw/zinc/18/20/04/175182004.db2.gz LDYNNRVMIGQPSS-BXKDBHETSA-N 1 0 208.305 1.645 10 0 BDAERO COc1ccc([C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000019785226 175183096 /nfs/dbraw/zinc/18/30/96/175183096.db2.gz PUBGSDVLCDCFCI-SECBINFHSA-N 1 0 207.273 1.781 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@H](C)O2)cc1F ZINC000036673348 175184388 /nfs/dbraw/zinc/18/43/88/175184388.db2.gz IEEFFDPQSXXIDG-PELKAZGASA-N 1 0 225.263 1.884 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@H](C)O2)cc1OC ZINC000033466017 175184658 /nfs/dbraw/zinc/18/46/58/175184658.db2.gz FTTZCTQTVKSJGY-ZANVPECISA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@@H]2C[C@H]2[NH3+])c(OC)c1OC ZINC000037381594 175185211 /nfs/dbraw/zinc/18/52/11/175185211.db2.gz APGMXKAKJSUGRK-DTWKUNHWSA-N 1 0 223.272 1.527 10 0 BDAERO COc1ccc([C@@](C)(O)C[NH2+]C(C)C)cc1 ZINC000032014572 175186565 /nfs/dbraw/zinc/18/65/65/175186565.db2.gz QQRMIOSYMSCQFA-ZDUSSCGKSA-N 1 0 223.316 1.901 10 0 BDAERO COc1ccc([C@H]([NH3+])Cc2ncc[nH]2)cc1OC ZINC000034977387 175191594 /nfs/dbraw/zinc/19/15/94/175191594.db2.gz CEQNCKPHRHFFSL-SNVBAGLBSA-N 1 0 247.298 1.669 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H](C)N(C)C)cc1 ZINC000022563766 175191693 /nfs/dbraw/zinc/19/16/93/175191693.db2.gz OLPNOBWVSFXTEO-BXKDBHETSA-N 1 0 208.305 1.645 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H]2CCCO2)cc1OC ZINC000019415769 175192384 /nfs/dbraw/zinc/19/23/84/175192384.db2.gz QEJIXLOMDCEHNS-AAEUAGOBSA-N 1 0 237.299 1.883 10 0 BDAERO COc1ccc([C@H](O)CC[NH+](C)C)c(OC)c1 ZINC000041148467 175193261 /nfs/dbraw/zinc/19/32/61/175193261.db2.gz VKMCEYQIRIKUGO-GFCCVEGCSA-N 1 0 239.315 1.689 10 0 BDAERO COc1ccc([C@](C)([NH2+]C(C)C)C(N)=O)cc1 ZINC000037446540 175199878 /nfs/dbraw/zinc/19/98/78/175199878.db2.gz DCPPCFLWEAVUBJ-ZDUSSCGKSA-N 1 0 236.315 1.394 10 0 BDAERO COc1ccc([C@]2(C)C[C@]2(C[NH3+])CO)cc1 ZINC000070500916 175200174 /nfs/dbraw/zinc/20/01/74/175200174.db2.gz UQYWBAXDOVWLAT-STQMWFEESA-N 1 0 221.300 1.294 10 0 BDAERO COc1ccc2[nH]c([C@H](C)C[NH3+])nc2c1 ZINC000076015056 175201724 /nfs/dbraw/zinc/20/17/24/175201724.db2.gz CEUUEINQYLIBKY-SSDOTTSWSA-N 1 0 205.261 1.634 10 0 BDAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC(N)=O ZINC000033856741 175207859 /nfs/dbraw/zinc/20/78/59/175207859.db2.gz FKGKOECHTPVTHB-CYBMUJFWSA-N 1 0 248.326 1.538 10 0 BDAERO COc1ccc2c(c1)CC[C@H]([NH2+]CCO)C2 ZINC000029556575 175209662 /nfs/dbraw/zinc/20/96/62/175209662.db2.gz OWJHZDHNMQVOOK-LBPRGKRZSA-N 1 0 221.300 1.134 10 0 BDAERO COc1ccc2c(c1)CC[C@H](n1cncn1)[C@H]2[NH3+] ZINC000019387242 175209924 /nfs/dbraw/zinc/20/99/24/175209924.db2.gz KHTXMAXOISOTLI-STQMWFEESA-N 1 0 244.298 1.474 10 0 BDAERO COc1ccc2c(c1)C[C@H](C[NH3+])CS2 ZINC000082375869 175210968 /nfs/dbraw/zinc/21/09/68/175210968.db2.gz OFEZWPJMPMXUGW-MRVPVSSYSA-N 1 0 209.314 1.918 10 0 BDAERO COc1ccc2cc([C@@H](O)C[NH3+])ccc2c1 ZINC000020216679 175225162 /nfs/dbraw/zinc/22/51/62/175225162.db2.gz BCEXJMFVZFCSNH-ZDUSSCGKSA-N 1 0 217.268 1.841 10 0 BDAERO COc1ccc2nc(CC[NH3+])ccc2c1 ZINC000062568904 175228184 /nfs/dbraw/zinc/22/81/84/175228184.db2.gz MQKHRESMSISHBQ-UHFFFAOYSA-N 1 0 202.257 1.745 10 0 BDAERO COc1ccc2[nH]c(CC[NH2+]C3CC3)nc2c1 ZINC000074326240 175229429 /nfs/dbraw/zinc/22/94/29/175229429.db2.gz HSORVDIDDSZXHN-UHFFFAOYSA-N 1 0 231.299 1.866 10 0 BDAERO COc1ccc2nsnc2c1CC[NH3+] ZINC000096869366 175230440 /nfs/dbraw/zinc/23/04/40/175230440.db2.gz PGMDYNFNYODRMI-UHFFFAOYSA-N 1 0 209.274 1.201 10 0 BDAERO COc1cccc(C[C@H]2C[NH2+]CC[C@@H]2O)c1 ZINC000071522984 175272859 /nfs/dbraw/zinc/27/28/59/175272859.db2.gz WMSRQUZBKIYXOX-AAEUAGOBSA-N 1 0 221.300 1.208 10 0 BDAERO COc1cccc(N(C)C[C@H]2C[NH2+]C[C@H]2C)c1 ZINC000104216465 175275420 /nfs/dbraw/zinc/27/54/20/175275420.db2.gz XKBQEONELQFXLJ-VXGBXAGGSA-N 1 0 234.343 1.987 10 0 BDAERO COc1cccc(OC)c1OC(C)(C)C[NH3+] ZINC000020398652 175281822 /nfs/dbraw/zinc/28/18/22/175281822.db2.gz YDULIBHSLCRNSU-UHFFFAOYSA-N 1 0 225.288 1.820 10 0 BDAERO COc1cccc(OC)c1O[C@@H](C)C[NH3+] ZINC000011946541 175282491 /nfs/dbraw/zinc/28/24/91/175282491.db2.gz MWVUHMBCADDENS-QMMMGPOBSA-N 1 0 211.261 1.430 10 0 BDAERO COc1cccc(OC)c1OCC[C@@H](C)[NH3+] ZINC000032015028 175282820 /nfs/dbraw/zinc/28/28/20/175282820.db2.gz BEWBGVYXRKZXGL-SECBINFHSA-N 1 0 225.288 1.820 10 0 BDAERO COc1cccc(O[C@@H](C)CC[NH3+])c1OC ZINC000041245773 175284399 /nfs/dbraw/zinc/28/43/99/175284399.db2.gz XYWUUFXAVMXRAL-VIFPVBQESA-N 1 0 225.288 1.820 10 0 BDAERO COc1cccc(O[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000019262301 175284806 /nfs/dbraw/zinc/28/48/06/175284806.db2.gz RPIWFVMXBVYBGI-RYUDHWBXSA-N 1 0 207.273 1.954 10 0 BDAERO COc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C)c1 ZINC000043025962 175289584 /nfs/dbraw/zinc/28/95/84/175289584.db2.gz GPWGPSVFBWKMIQ-BXKDBHETSA-N 1 0 208.305 1.645 10 0 BDAERO COc1cccc([C@@H]2C[NH2+][C@H](C)CO2)c1 ZINC000032011698 175290373 /nfs/dbraw/zinc/29/03/73/175290373.db2.gz UMZZZGCYPUGUQI-SKDRFNHKSA-N 1 0 207.273 1.745 10 0 BDAERO COc1cccc([C@H]([NH3+])Cn2ccnc2C)c1 ZINC000038827596 175294085 /nfs/dbraw/zinc/29/40/85/175294085.db2.gz IZCSFBBNGYJHRT-CYBMUJFWSA-N 1 0 231.299 1.900 10 0 BDAERO COc1cccc([C@H]([NH2+]C2CCCC2)C(N)=O)c1 ZINC000037968905 175295289 /nfs/dbraw/zinc/29/52/89/175295289.db2.gz VLNIBBCHUJYTNI-ZDUSSCGKSA-N 1 0 248.326 1.754 10 0 BDAERO COc1cccc([C@H]([C@H](C)[NH3+])N(C)C)c1 ZINC000043025955 175296364 /nfs/dbraw/zinc/29/63/64/175296364.db2.gz GPWGPSVFBWKMIQ-CABZTGNLSA-N 1 0 208.305 1.645 10 0 BDAERO COc1cccc([C@](O)([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784488 175296957 /nfs/dbraw/zinc/29/69/57/175296957.db2.gz FYHDDOJBBLPKOM-GMSGAONNSA-N 1 0 249.232 1.792 10 0 BDAERO COc1ccccc1-c1c[nH]c(C[C@@H](C)[NH3+])n1 ZINC000037608954 175310159 /nfs/dbraw/zinc/31/01/59/175310159.db2.gz WEABLBNQEOCUCQ-SECBINFHSA-N 1 0 231.299 1.975 10 0 BDAERO COc1ccccc1-c1n[nH]c(CCC[NH3+])n1 ZINC000072236600 175310672 /nfs/dbraw/zinc/31/06/72/175310672.db2.gz SJIZHQGLDMUMNX-UHFFFAOYSA-N 1 0 232.287 1.372 10 0 BDAERO COc1ccccc1-c1nnc(CC[NH3+])s1 ZINC000057525706 175311679 /nfs/dbraw/zinc/31/16/79/175311679.db2.gz YTVZZYVTVPONOI-UHFFFAOYSA-N 1 0 235.312 1.715 10 0 BDAERO COc1ccccc1CC(=O)[C@H]1CCC[NH2+]1 ZINC000041232480 175321862 /nfs/dbraw/zinc/32/18/62/175321862.db2.gz IYNVSNZSTLRWPF-LLVKDONJSA-N 1 0 219.284 1.559 10 0 BDAERO COc1ccccc1C[C@](C)([NH3+])c1ncon1 ZINC000037735042 175334179 /nfs/dbraw/zinc/33/41/79/175334179.db2.gz PPQMQZKKVNIABG-LBPRGKRZSA-N 1 0 233.271 1.495 10 0 BDAERO COc1ccccc1Cc1nc(C[NH3+])c[nH]1 ZINC000062820780 175334937 /nfs/dbraw/zinc/33/49/37/175334937.db2.gz SHPKHAHIWNLIMJ-UHFFFAOYSA-N 1 0 217.272 1.468 10 0 BDAERO COc1ccccc1N(C)[C@H]1CCC[NH2+]C1 ZINC000049966654 175336077 /nfs/dbraw/zinc/33/60/77/175336077.db2.gz WDFFGNWEVZNFGI-NSHDSACASA-N 1 0 220.316 1.883 10 0 BDAERO COc1ccccc1NCCN1CC[NH+](C)CC1 ZINC000041304602 175337377 /nfs/dbraw/zinc/33/73/77/175337377.db2.gz JOMGHCPSYCATEP-UHFFFAOYSA-N 1 0 249.358 1.355 10 0 BDAERO COc1ccccc1OCCSCC[NH3+] ZINC000020399335 175341694 /nfs/dbraw/zinc/34/16/94/175341694.db2.gz YLEDQJCHDPSVJM-UHFFFAOYSA-N 1 0 227.329 1.766 10 0 BDAERO COc1ccccc1[C@@H](C)NC(=O)C1C[NH2+]C1 ZINC000091408991 175345400 /nfs/dbraw/zinc/34/54/00/175345400.db2.gz OWIZLQZJWOATKL-SECBINFHSA-N 1 0 234.299 1.092 10 0 BDAERO COc1ccccc1[C@@H](C[NH3+])n1ccnc1 ZINC000043098664 175346110 /nfs/dbraw/zinc/34/61/10/175346110.db2.gz QKXYJIMKKQVHTR-LLVKDONJSA-N 1 0 217.272 1.440 10 0 BDAERO COc1ccccc1[C@@H]([NH3+])Cc1ncc[nH]1 ZINC000034977385 175347169 /nfs/dbraw/zinc/34/71/69/175347169.db2.gz XLCWSOQQFVAPFV-JTQLQIEISA-N 1 0 217.272 1.661 10 0 BDAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)CCO ZINC000043097751 175348778 /nfs/dbraw/zinc/34/87/78/175348778.db2.gz LROPVRZTWDFDTL-GXFFZTMASA-N 1 0 238.331 1.008 10 0 BDAERO COc1ccccc1[S@](=O)[C@@H]1CCC[NH2+]C1 ZINC000083319587 175356571 /nfs/dbraw/zinc/35/65/71/175356571.db2.gz AWHWDSCGJQMIDB-HWPZZCPQSA-N 1 0 239.340 1.555 10 0 BDAERO COc1cncc(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000290080715 175386227 /nfs/dbraw/zinc/38/62/27/175386227.db2.gz WQIHZPBOPQOZES-ZWNOBZJWSA-N 1 0 236.315 1.747 10 0 BDAERO COc1cncc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC000003796754 175386625 /nfs/dbraw/zinc/38/66/25/175386625.db2.gz BRQJOEFGGNGXAA-SNVBAGLBSA-N 1 0 219.288 1.294 10 0 BDAERO COc1ncc(C[NH3+])cc1C(F)(F)F ZINC000079066865 175397666 /nfs/dbraw/zinc/39/76/66/175397666.db2.gz PWSHJJFFNJOKHY-UHFFFAOYSA-N 1 0 206.167 1.568 10 0 BDAERO CSCC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000309492399 175457532 /nfs/dbraw/zinc/45/75/32/175457532.db2.gz SNKYNESDNNHFRT-ONGXEEELSA-N 1 0 228.361 1.079 10 0 BDAERO CSCC[NH+]1CCC2(CCO2)CC1 ZINC000307076965 175494333 /nfs/dbraw/zinc/49/43/33/175494333.db2.gz OWVZGWWTKYRPFP-UHFFFAOYSA-N 1 0 201.335 1.604 10 0 BDAERO CSC[C@@H](O)C[NH2+][C@H](C)c1csc(C)n1 ZINC000336736666 175516905 /nfs/dbraw/zinc/51/69/05/175516905.db2.gz POGILUKCPHLKKD-APPZFPTMSA-N 1 0 246.401 1.826 10 0 BDAERO C[C@@H]([NH3+])C(=O)N[C@@H](C)CCc1ccco1 ZINC000040824881 175686786 /nfs/dbraw/zinc/68/67/86/175686786.db2.gz PWJNSIYYKKXZPW-DTWKUNHWSA-N 1 0 210.277 1.064 10 0 BDAERO C[C@@H](C[NH3+])C(=O)Nc1cccc2cccnc21 ZINC000044797756 175705931 /nfs/dbraw/zinc/70/59/31/175705931.db2.gz GYFJHCLVKFLSAI-VIFPVBQESA-N 1 0 229.283 1.768 10 0 BDAERO C[C@@H](CN1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000053937493 175720197 /nfs/dbraw/zinc/72/01/97/175720197.db2.gz JAJDNVHTGNADOR-GXTWGEPZSA-N 1 0 234.343 1.655 10 0 BDAERO C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819593 175802893 /nfs/dbraw/zinc/80/28/93/175802893.db2.gz VZBTWLKQMZXMGH-MWLCHTKSSA-N 1 0 221.304 1.416 10 0 BDAERO C[C@@H]([NH3+])CCN1C(=O)C[C@H](c2ccccc2)C1=O ZINC000063171825 175805354 /nfs/dbraw/zinc/80/53/54/175805354.db2.gz SWIXNZIROAJVSI-ZYHUDNBSSA-N 1 0 246.310 1.266 10 0 BDAERO C[C@@H]([NH3+])COc1ccc(F)c(F)c1F ZINC000075881381 175806438 /nfs/dbraw/zinc/80/64/38/175806438.db2.gz KTLUUIFCNVIRJQ-RXMQYKEDSA-N 1 0 205.179 1.830 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCCC1 ZINC000043345388 175810303 /nfs/dbraw/zinc/81/03/03/175810303.db2.gz JJGLKFZQOIAYTF-PWSUYJOCSA-N 1 0 205.305 1.566 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1ccc(OC(F)F)cc1 ZINC000020216894 175812287 /nfs/dbraw/zinc/81/22/87/175812287.db2.gz HEMMXABPHKVKKG-MUWHJKNJSA-N 1 0 217.215 1.669 10 0 BDAERO C[C@@H]([NH3+])c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000022175913 175818175 /nfs/dbraw/zinc/81/81/75/175818175.db2.gz MJELEASGZNDQKA-BXKDBHETSA-N 1 0 234.299 1.824 10 0 BDAERO C[C@@H](O)c1ccccc1NC(=O)C1CC[NH2+]CC1 ZINC000049547241 176000360 /nfs/dbraw/zinc/00/03/60/176000360.db2.gz VUJIIMXMCAEQSN-SNVBAGLBSA-N 1 0 248.326 1.678 10 0 BDAERO C[C@@H](OC1CC[NH2+]CC1)c1ccccn1 ZINC000095068451 176002643 /nfs/dbraw/zinc/00/26/43/176002643.db2.gz OISMJZGRCNBZAV-SNVBAGLBSA-N 1 0 206.289 1.911 10 0 BDAERO C[C@@H](OC[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000095068501 176003235 /nfs/dbraw/zinc/00/32/35/176003235.db2.gz MCAGVHCMQNFRRY-BDAKNGLRSA-N 1 0 212.318 1.973 10 0 BDAERO C[C@@H](Oc1ccc(C[NH3+])cc1)C(=O)NC1CC1 ZINC000020386061 176003716 /nfs/dbraw/zinc/00/37/16/176003716.db2.gz WHLAFPQAAMQGRM-SECBINFHSA-N 1 0 234.299 1.191 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)NC1CC1 ZINC000020419413 176006112 /nfs/dbraw/zinc/00/61/12/176006112.db2.gz SAFXGTCVGBBIGE-NXEZZACHSA-N 1 0 248.326 1.752 10 0 BDAERO C[C@@H](SCC[NH3+])C(=O)c1ccccc1 ZINC000058249412 176008025 /nfs/dbraw/zinc/00/80/25/176008025.db2.gz OUDFUPYTQVHSKY-SECBINFHSA-N 1 0 209.314 1.950 10 0 BDAERO C[C@@H](c1ccc(F)cc1)N1C[C@@H](C[NH3+])CC1=O ZINC000019669376 176015449 /nfs/dbraw/zinc/01/54/49/176015449.db2.gz DOTUKBPILVOROC-VHSXEESVSA-N 1 0 236.290 1.694 10 0 BDAERO C[C@@H](c1cccc(O)c1)N1CCC[C@H]([NH3+])C1 ZINC000041027865 176019196 /nfs/dbraw/zinc/01/91/96/176019196.db2.gz GKPJBVUBJZRBSP-JQWIXIFHSA-N 1 0 220.316 1.876 10 0 BDAERO C[C@@H](c1ccccc1Cl)N1CC[C@H]([NH3+])C1=O ZINC000049659868 176025120 /nfs/dbraw/zinc/02/51/20/176025120.db2.gz HJYWYZFGOCVZLQ-KWQFWETISA-N 1 0 238.718 1.961 10 0 BDAERO C[C@@H](c1nc2c(cccc2F)[nH]1)N1CC[NH2+]CC1 ZINC000051640007 176039396 /nfs/dbraw/zinc/03/93/96/176039396.db2.gz JYEVXFOTCHAIJT-VIFPVBQESA-N 1 0 248.305 1.668 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1N ZINC000037272012 176072708 /nfs/dbraw/zinc/07/27/08/176072708.db2.gz OTLOGSNBLOYEKR-SNVBAGLBSA-N 1 0 247.342 1.742 10 0 BDAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccccn1 ZINC000019395299 176075138 /nfs/dbraw/zinc/07/51/38/176075138.db2.gz DERWKDBUCYVDDO-YPMHNXCESA-N 1 0 219.332 1.956 10 0 BDAERO C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000246901891 176079633 /nfs/dbraw/zinc/07/96/33/176079633.db2.gz LNNKPTXAJYUCBX-KXNHARMFSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CCCC[C@H]1Oc1nccnc1C[NH3+] ZINC000054378516 176090489 /nfs/dbraw/zinc/09/04/89/176090489.db2.gz AOTMRUVECCZFGO-MWLCHTKSSA-N 1 0 221.304 1.893 10 0 BDAERO C[C@@H]1CCC[N@H+](CCC2CS(=O)(=O)C2)CC1 ZINC000336250726 176097711 /nfs/dbraw/zinc/09/77/11/176097711.db2.gz NVKFXIGPLXLAKX-LLVKDONJSA-N 1 0 245.388 1.543 10 0 BDAERO C[C@@H]1CCC[N@@H+]1C1(CN)Cc2ccccc2C1 ZINC000037910239 176107573 /nfs/dbraw/zinc/10/75/73/176107573.db2.gz NQJHVDUSVGKUHI-GFCCVEGCSA-N 1 0 230.355 1.967 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCCCCC1 ZINC000051792113 176112401 /nfs/dbraw/zinc/11/24/01/176112401.db2.gz IBVKKYUVWWSLME-VXGBXAGGSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)NCC2CCCC2)[NH2+]1 ZINC000037258988 176112409 /nfs/dbraw/zinc/11/24/09/176112409.db2.gz NBGIVENMUMDBKO-PWSUYJOCSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)NCc2ccco2)[NH2+]1 ZINC000019504222 176113395 /nfs/dbraw/zinc/11/33/95/176113395.db2.gz OBIXGKHDSOQSKK-KOLCDFICSA-N 1 0 222.288 1.426 10 0 BDAERO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094564328 176115872 /nfs/dbraw/zinc/11/58/72/176115872.db2.gz NGMDKMUUTJSSPH-KKOKHZNYSA-N 1 0 240.347 1.282 10 0 BDAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@H](CO)C2)C1 ZINC000309454898 176117527 /nfs/dbraw/zinc/11/75/27/176117527.db2.gz PKGFAPYCBPRLBF-UPJWGTAASA-N 1 0 227.348 1.506 10 0 BDAERO C[C@@H]1CCC[C@@H](CNC(=O)C(C)(C)C)[NH2+]1 ZINC000051573086 176118699 /nfs/dbraw/zinc/11/86/99/176118699.db2.gz 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/nfs/dbraw/zinc/17/05/45/176170545.db2.gz BKOYOEVYLDJWNX-GFCCVEGCSA-N 1 0 219.332 1.308 10 0 BDAERO C[C@@H]1CCN(Cc2ccncc2)[C@@H](C[NH3+])C1 ZINC000235339546 176177407 /nfs/dbraw/zinc/17/74/07/176177407.db2.gz LNJFYCTWRFQUJI-DGCLKSJQSA-N 1 0 219.332 1.641 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(F)cn1 ZINC000335658705 176185916 /nfs/dbraw/zinc/18/59/16/176185916.db2.gz WWIXFEUDGSQRLL-PSASIEDQSA-N 1 0 209.268 1.631 10 0 BDAERO C[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2N1C(=O)OC(C)(C)C ZINC000082327472 176218134 /nfs/dbraw/zinc/21/81/34/176218134.db2.gz JQSLRDLAGDXLPP-MXWKQRLJSA-N 1 0 240.347 1.994 10 0 BDAERO C[C@@H]1CN(C(=O)CSC(C)(C)C)C[C@@H]1[NH3+] ZINC000235269730 176247150 /nfs/dbraw/zinc/24/71/50/176247150.db2.gz KKHYZPHITMOFLG-BDAKNGLRSA-N 1 0 230.377 1.324 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)[C@H](C)CO1 ZINC000035787168 176257891 /nfs/dbraw/zinc/25/78/91/176257891.db2.gz WCQGUAHJKGLTMJ-NQBHXWOUSA-N 1 0 248.326 1.322 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCCCC2)[C@H](C)CO1 ZINC000035783543 176280231 /nfs/dbraw/zinc/28/02/31/176280231.db2.gz RFFQWWQVJZZLON-VXGBXAGGSA-N 1 0 226.364 1.757 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCCC2)C[C@@H](C)O1 ZINC000019434360 176280290 /nfs/dbraw/zinc/28/02/90/176280290.db2.gz PJDOVJXOBKETJS-GHMZBOCLSA-N 1 0 212.337 1.367 10 0 BDAERO C[C@@H]1C[N@H+](CC2(O)CCCC2)C[C@@H]1N(C)C ZINC000124738076 176285333 /nfs/dbraw/zinc/28/53/33/176285333.db2.gz OPADIWDHIPXNSS-NEPJUHHUSA-N 1 0 226.364 1.173 10 0 BDAERO C[C@@H]1C[NH+](CCCC(N)=S)C[C@@H](C)O1 ZINC000019503263 176288045 /nfs/dbraw/zinc/28/80/45/176288045.db2.gz KSBZDLRMBWDBID-RKDXNWHRSA-N 1 0 216.350 1.162 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)C[C@@H]1O ZINC000347011655 176299811 /nfs/dbraw/zinc/29/98/11/176299811.db2.gz RQGWNKCKPCBIGL-QKCSRTOESA-N 1 0 217.312 1.639 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCO[C@H](C)C1 ZINC000042900656 176315889 /nfs/dbraw/zinc/31/58/89/176315889.db2.gz YQCJOVBPPHOURZ-YRGRVCCFSA-N 1 0 234.343 1.796 10 0 BDAERO C[C@@H]1CN([C@H](C[NH3+])Cc2ccccc2)C[C@@H](C)O1 ZINC000019255117 176317425 /nfs/dbraw/zinc/31/74/25/176317425.db2.gz ULIQBOLDBNRGCE-NFAWXSAZSA-N 1 0 248.370 1.666 10 0 BDAERO C[C@@H]1CN(c2ncccc2F)C[C@@]1(C)C[NH3+] ZINC000335285661 176321511 /nfs/dbraw/zinc/32/15/11/176321511.db2.gz PXHSBSDPQHBSOI-BXKDBHETSA-N 1 0 223.295 1.642 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1 ZINC000083550492 176322717 /nfs/dbraw/zinc/32/27/17/176322717.db2.gz HIVYGXCZJGPJGL-TZMCWYRMSA-N 1 0 244.338 1.995 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]cn1 ZINC000245766243 176324506 /nfs/dbraw/zinc/32/45/06/176324506.db2.gz QWCLIKYQQOGTGU-PWSUYJOCSA-N 1 0 220.320 1.078 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000073655331 176328224 /nfs/dbraw/zinc/32/82/24/176328224.db2.gz NRLYFPRXDFXPKP-ZJUUUORDSA-N 1 0 228.336 1.851 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000104222127 176328688 /nfs/dbraw/zinc/32/86/88/176328688.db2.gz LCWUNIRFHCRPBC-SKDRFNHKSA-N 1 0 236.290 1.297 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccccn2)no1 ZINC000104228509 176330244 /nfs/dbraw/zinc/33/02/44/176330244.db2.gz LSHPJFBRPNLOEB-RKDXNWHRSA-N 1 0 230.271 1.455 10 0 BDAERO C[C@@H]1C[NH2+][C@H]1COc1ccc(Cl)nc1 ZINC000026721640 176331177 /nfs/dbraw/zinc/33/11/77/176331177.db2.gz MGXJUPBXJVPJCA-APPZFPTMSA-N 1 0 212.680 1.722 10 0 BDAERO C[C@@H]1COCCN1C1(C[NH3+])CCCCC1 ZINC000035774947 176335886 /nfs/dbraw/zinc/33/58/86/176335886.db2.gz LIXPLRADKHSHHM-LLVKDONJSA-N 1 0 212.337 1.369 10 0 BDAERO C[C@@H]1CSC(NCc2ccccn2)=[NH+]1 ZINC000035295038 176348725 /nfs/dbraw/zinc/34/87/25/176348725.db2.gz AJHDWBFEOFCGSN-MRVPVSSYSA-N 1 0 207.302 1.663 10 0 BDAERO C[C@@H]1CS(=O)(=O)c2c(F)ccc(F)c2[C@H]1[NH3+] ZINC000035755837 176349436 /nfs/dbraw/zinc/34/94/36/176349436.db2.gz IKHOOMSVWYMTLH-ANLVUFKYSA-N 1 0 247.266 1.388 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000336656891 176352944 /nfs/dbraw/zinc/35/29/44/176352944.db2.gz PDNLYHDDAVTTNB-KXUCPTDWSA-N 1 0 217.378 1.735 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]CC(=O)NC1CCCCCC1 ZINC000053341395 176403933 /nfs/dbraw/zinc/40/39/33/176403933.db2.gz GPZLNEMFZBTFHG-PWSUYJOCSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000282483651 176455362 /nfs/dbraw/zinc/45/53/62/176455362.db2.gz VNTDGPONMOKGBD-CABZTGNLSA-N 1 0 236.290 1.582 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC(F)(F)F ZINC000336757250 176456004 /nfs/dbraw/zinc/45/60/04/176456004.db2.gz JYJHDSPULMRBRA-NKWVEPMBSA-N 1 0 224.226 1.196 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccncc1 ZINC000335597158 176457262 /nfs/dbraw/zinc/45/72/62/176457262.db2.gz NBVSAWBUCWTBMF-JQWIXIFHSA-N 1 0 233.315 1.086 10 0 BDAERO C[C@@]([NH3+])(C(=O)NCC1CCCCC1)C1CC1 ZINC000037478937 176510803 /nfs/dbraw/zinc/51/08/03/176510803.db2.gz FMONNUQXTURVID-ZDUSSCGKSA-N 1 0 224.348 1.810 10 0 BDAERO C[C@@]([NH3+])(C(=O)NCc1cccs1)C1CC1 ZINC000037478887 176511171 /nfs/dbraw/zinc/51/11/71/176511171.db2.gz UNTRYKQPEXCWNY-NSHDSACASA-N 1 0 224.329 1.492 10 0 BDAERO C[C@H](CC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1)C(C)(C)C ZINC000104447865 176598942 /nfs/dbraw/zinc/59/89/42/176598942.db2.gz RNNQZVXQEGCZPL-GRYCIOLGSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@H](CC[NH3+])Nc1cncc(Br)c1 ZINC000306192669 176628113 /nfs/dbraw/zinc/62/81/13/176628113.db2.gz CAQKRNBRMAWBRV-SSDOTTSWSA-N 1 0 244.136 1.993 10 0 BDAERO C[C@H](C[NH3+])c1noc(-c2ccccc2)n1 ZINC000054158744 176663638 /nfs/dbraw/zinc/66/36/38/176663638.db2.gz POKYMVXPJZKDDF-MRVPVSSYSA-N 1 0 203.245 1.799 10 0 BDAERO C[C@H]([NH3+])C(=O)NCc1ccc(Br)o1 ZINC000083376212 176749419 /nfs/dbraw/zinc/74/94/19/176749419.db2.gz KAHPKYJXMMYCDY-YFKPBYRVSA-N 1 0 247.092 1.006 10 0 BDAERO C[C@H]([NH3+])Cc1c2c(cc3c1OCC3)OCC2 ZINC000013757082 176761717 /nfs/dbraw/zinc/76/17/17/176761717.db2.gz QTMQYHDNFFQCRI-QMMMGPOBSA-N 1 0 219.284 1.446 10 0 BDAERO C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000249110488 176769123 /nfs/dbraw/zinc/76/91/23/176769123.db2.gz VVFZYKJWGKLVDT-BJDJZHNGSA-N 1 0 224.348 1.618 10 0 BDAERO C[C@H]([NH3+])c1ccc(-n2cncn2)c(Cl)c1 ZINC000061698289 176775914 /nfs/dbraw/zinc/77/59/14/176775914.db2.gz XXHRVXIWARYULF-ZETCQYMHSA-N 1 0 222.679 1.940 10 0 BDAERO C[C@H]([NH3+])c1ccc(O[C@H]2CCCCNC2=O)cc1 ZINC000019813279 176776611 /nfs/dbraw/zinc/77/66/11/176776611.db2.gz XDCJDALPBIVMOB-GWCFXTLKSA-N 1 0 248.326 1.754 10 0 BDAERO C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1cccs1 ZINC000129095759 176807129 /nfs/dbraw/zinc/80/71/29/176807129.db2.gz MIBUAZGMOHGNLI-IUCAKERBSA-N 1 0 238.356 1.781 10 0 BDAERO COCCOCC[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000383536202 487635696 /nfs/dbraw/zinc/63/56/96/487635696.db2.gz SGWPRWPPCCQAPL-OLZOCXBDSA-N 1 0 245.363 1.132 10 0 BDAERO C[N@H+](CCN1CCCC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000383529136 487635803 /nfs/dbraw/zinc/63/58/03/487635803.db2.gz QJDNQAXGJYJRRH-ZIAGYGMSSA-N 1 0 240.391 1.565 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1CC1(C)C ZINC000309373056 176862941 /nfs/dbraw/zinc/86/29/41/176862941.db2.gz CGLMQAXKVMUPGO-TUAOUCFPSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C1CC1 ZINC000309365622 176892874 /nfs/dbraw/zinc/89/28/74/176892874.db2.gz BEBSYQAPRREBCW-RLCGTCKNSA-N 1 0 222.332 1.432 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000336697865 176912846 /nfs/dbraw/zinc/91/28/46/176912846.db2.gz OKXANMIKUHERRQ-USZNOCQGSA-N 1 0 213.321 1.711 10 0 BDAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000052271245 176929411 /nfs/dbraw/zinc/92/94/11/176929411.db2.gz FFZWDEDOGVYQAN-KWBADKCTSA-N 1 0 243.314 1.721 10 0 BDAERO C[C@H](O)c1ncc(C[NH2+][C@H]2C[C@H]2C)s1 ZINC000290530502 177019762 /nfs/dbraw/zinc/01/97/62/177019762.db2.gz YCWJACDCKCOOGX-FJXKBIBVSA-N 1 0 212.318 1.694 10 0 BDAERO C[C@H](Oc1ccccc1CC[NH3+])C(=O)NC1CC1 ZINC000037720564 177024543 /nfs/dbraw/zinc/02/45/43/177024543.db2.gz YJGSVICALIVNAI-JTQLQIEISA-N 1 0 248.326 1.234 10 0 BDAERO C[C@H]([C@@H]1COc2ccccc2O1)[NH+](C)C ZINC000137916208 177030949 /nfs/dbraw/zinc/03/09/49/177030949.db2.gz KMGDYWOLQIXFAK-SKDRFNHKSA-N 1 0 207.273 1.777 10 0 BDAERO C[C@H](c1ccc(Cl)cc1)N1C[C@@H]([NH3+])CC1=O ZINC000049526769 177032605 /nfs/dbraw/zinc/03/26/05/177032605.db2.gz MWSNELBVEYLQFD-KCJUWKMLSA-N 1 0 238.718 1.961 10 0 BDAERO C[C@H](c1ccc(F)cc1)N1C[C@H](C[NH3+])CC1=O ZINC000019669378 177034364 /nfs/dbraw/zinc/03/43/64/177034364.db2.gz DOTUKBPILVOROC-ZJUUUORDSA-N 1 0 236.290 1.694 10 0 BDAERO C[C@H](c1ccc[nH]1)N(C)C[C@@H]1CC[NH2+]C1 ZINC000095068231 177035228 /nfs/dbraw/zinc/03/52/28/177035228.db2.gz GVLVCDMZIGEUFQ-GHMZBOCLSA-N 1 0 207.321 1.617 10 0 BDAERO C[C@H](c1ccc[nH]1)N(C)C1CC[NH2+]CC1 ZINC000095068195 177035238 /nfs/dbraw/zinc/03/52/38/177035238.db2.gz ZRZZRXMEEUZHAS-SNVBAGLBSA-N 1 0 207.321 1.760 10 0 BDAERO C[C@H](c1cccc(Cl)c1)N1CC[C@@H]([NH3+])C1=O ZINC000049659904 177036051 /nfs/dbraw/zinc/03/60/51/177036051.db2.gz WCBWTZVTPQIMTL-LDYMZIIASA-N 1 0 238.718 1.961 10 0 BDAERO C[C@H](c1ccccc1)N1C[C@@H](C[NH3+])CC1=O ZINC000019669314 177040491 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215.337 1.693 10 0 BDAERO CCOC1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136424063 490562592 /nfs/dbraw/zinc/56/25/92/490562592.db2.gz REBXCOJTPDAYII-GFCCVEGCSA-N 1 0 242.363 1.387 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000235314703 491067544 /nfs/dbraw/zinc/06/75/44/491067544.db2.gz SPUYHSVJVSYORR-DDHJBXDOSA-N 1 0 224.348 1.489 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C(C)C ZINC000087478852 491088920 /nfs/dbraw/zinc/08/89/20/491088920.db2.gz VKBFNRCPXJONKO-WOPDTQHZSA-N 1 0 215.337 1.551 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)nc1 ZINC000087782293 491092020 /nfs/dbraw/zinc/09/20/20/491092020.db2.gz ZMAAEJJJFPZNMS-YPMHNXCESA-N 1 0 220.316 1.783 10 0 BDAERO OC1(C[NH+]2CCCC2)CCSCC1 ZINC000221508319 491093624 /nfs/dbraw/zinc/09/36/24/491093624.db2.gz CMPZAKVBCCUXJF-UHFFFAOYSA-N 1 0 201.335 1.340 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@]1(C)CC1(F)F ZINC000659363027 491104681 /nfs/dbraw/zinc/10/46/81/491104681.db2.gz ZFHAYRXFUOVRHX-NQMVMOMDSA-N 1 0 232.274 1.003 10 0 BDAERO CCN(CC1CC1)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643692884 491116658 /nfs/dbraw/zinc/11/66/58/491116658.db2.gz UFDLMQWRCUGEDQ-ZDUSSCGKSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cnccn1 ZINC000070025313 491117483 /nfs/dbraw/zinc/11/74/83/491117483.db2.gz HPDBYUPQCQWMSG-DCAQKATOSA-N 1 0 221.304 1.431 10 0 BDAERO CC(C)OC1CC([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC000309422696 491149046 /nfs/dbraw/zinc/14/90/46/491149046.db2.gz AGLCJBMQGKAXIR-CQLXCSJHSA-N 1 0 227.348 1.836 10 0 BDAERO C[C@@H](CO)C[NH2+][C@H]1CCc2c1cccc2O ZINC000083219310 491160622 /nfs/dbraw/zinc/16/06/22/491160622.db2.gz IHNLBYBLNSINRM-SKDRFNHKSA-N 1 0 221.300 1.598 10 0 BDAERO C[NH2+]Cc1sc(C(=O)C2CC2)nc1C ZINC000757123961 582499017 /nfs/dbraw/zinc/49/90/17/582499017.db2.gz MFIZFOQJJRVMHL-UHFFFAOYSA-N 1 0 210.302 1.764 10 0 BDAERO CC[C@@H](C)[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757131680 582505199 /nfs/dbraw/zinc/50/51/99/582505199.db2.gz SKRGHSFQOYLURC-APPZFPTMSA-N 1 0 214.334 1.724 10 0 BDAERO C1CC12C[NH2+][C@@]1(CCCOC1)OC21CCC1 ZINC000757140503 582520741 /nfs/dbraw/zinc/52/07/41/582520741.db2.gz JHVQWJQAYXHLIG-ZDUSSCGKSA-N 1 0 223.316 1.816 10 0 BDAERO CCOC(=O)[C@@H]1[C@@H](C)c2ccccc2[C@@H]1[NH3+] ZINC000757140621 582520757 /nfs/dbraw/zinc/52/07/57/582520757.db2.gz NQHBFFGCKZXDKC-AXTRIDKLSA-N 1 0 219.284 1.983 10 0 BDAERO C[NH2+]C[C@@H](O)CSCc1occc1C ZINC000757162761 582545278 /nfs/dbraw/zinc/54/52/78/582545278.db2.gz AXXKEQFAMVZXIV-SECBINFHSA-N 1 0 215.318 1.402 10 0 BDAERO Cc1ccoc1CSCC[C@@H](O)C[NH3+] ZINC000757167886 582549214 /nfs/dbraw/zinc/54/92/14/582549214.db2.gz ZCRUEJMAPRVCOB-SECBINFHSA-N 1 0 215.318 1.531 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccco1 ZINC000757188099 582555024 /nfs/dbraw/zinc/55/50/24/582555024.db2.gz JSIIWQJNINCVIH-ZJUUUORDSA-N 1 0 237.299 1.924 10 0 BDAERO CCOC(=O)/C=C1/CC[N@@H+]2CCC[C@@H]2C1 ZINC000757189110 582555200 /nfs/dbraw/zinc/55/52/00/582555200.db2.gz FHMCWLLCFZOEPS-DWOQACPDSA-N 1 0 209.289 1.734 10 0 BDAERO C[C@H]1CCn2nc(C3CC[NH2+]CC3)cc2N1 ZINC000235714079 582605003 /nfs/dbraw/zinc/60/50/03/582605003.db2.gz HCOUOKAOMIZHII-VIFPVBQESA-N 1 0 220.320 1.554 10 0 BDAERO OCC[C@H]1CNc2[nH+]c3c(n2C1)CCCC3 ZINC000236502898 582657177 /nfs/dbraw/zinc/65/71/77/582657177.db2.gz VQDHREKAQZEIGM-VIFPVBQESA-N 1 0 221.304 1.186 10 0 BDAERO CC[C@@H]1COCCN1c1ccnc(C[NH3+])c1 ZINC000051397049 535836801 /nfs/dbraw/zinc/83/68/01/535836801.db2.gz JOMXBZQZAWSEGP-LLVKDONJSA-N 1 0 221.304 1.156 10 0 BDAERO Cc1cnc(N2CCC(C[NH3+])CC2)nc1C ZINC000212410837 518191693 /nfs/dbraw/zinc/19/16/93/518191693.db2.gz LMVHASONONGLBB-UHFFFAOYSA-N 1 0 220.320 1.269 10 0 BDAERO OCC[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000400629178 534373842 /nfs/dbraw/zinc/37/38/42/534373842.db2.gz MTGWKVSTCGVPQZ-VXGBXAGGSA-N 1 0 213.321 1.117 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1[NH3+] ZINC000403327219 534378927 /nfs/dbraw/zinc/37/89/27/534378927.db2.gz OVZPVKPZDYJXGQ-OOCWMUITSA-N 1 0 222.332 1.228 10 0 BDAERO CC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000227157912 534725175 /nfs/dbraw/zinc/72/51/75/534725175.db2.gz GUXMJDIBNNZLCA-NEPJUHHUSA-N 1 0 211.305 1.609 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCC(OC)CC2)c1 ZINC000051443001 536470504 /nfs/dbraw/zinc/47/05/04/536470504.db2.gz JIDHMDRASWVJCH-UHFFFAOYSA-N 1 0 235.331 1.416 10 0 BDAERO C[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC000179027116 536467319 /nfs/dbraw/zinc/46/73/19/536467319.db2.gz YLXMIQJFOXPAAW-VXGBXAGGSA-N 1 0 226.364 1.737 10 0 BDAERO C[NH2+]Cc1cc(N2CCO[C@@H](C)C2)ccn1 ZINC000051400171 536468801 /nfs/dbraw/zinc/46/88/01/536468801.db2.gz LPCQBZYWSNTPGL-JTQLQIEISA-N 1 0 221.304 1.026 10 0 BDAERO C[NH2+]Cc1cc(N2CCO[C@H](C)C2)ccn1 ZINC000051400170 536468947 /nfs/dbraw/zinc/46/89/47/536468947.db2.gz LPCQBZYWSNTPGL-SNVBAGLBSA-N 1 0 221.304 1.026 10 0 BDAERO COC(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)OC ZINC000227589320 536505912 /nfs/dbraw/zinc/50/59/12/536505912.db2.gz XSHYSWUJEYFVLB-GHMZBOCLSA-N 1 0 229.320 1.249 10 0 BDAERO CCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCSC1 ZINC000494976913 527725602 /nfs/dbraw/zinc/72/56/02/527725602.db2.gz RDRARKUFDJCOKB-ZJUUUORDSA-N 1 0 231.361 1.623 10 0 BDAERO CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCSC1 ZINC000494976909 527955129 /nfs/dbraw/zinc/95/51/29/527955129.db2.gz RDRARKUFDJCOKB-UWVGGRQHSA-N 1 0 231.361 1.623 10 0 BDAERO CO[C@H](C)c1nsc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000261585193 536532152 /nfs/dbraw/zinc/53/21/52/536532152.db2.gz QITVIBQESVIJOL-HTQZYQBOSA-N 1 0 242.348 1.409 10 0 BDAERO CCOCCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401585944 528671051 /nfs/dbraw/zinc/67/10/51/528671051.db2.gz MWKCOYPDGUURDW-GHMZBOCLSA-N 1 0 201.310 1.116 10 0 BDAERO CCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177274227 534964091 /nfs/dbraw/zinc/96/40/91/534964091.db2.gz ZPAVJPXJNFBTPZ-VXGBXAGGSA-N 1 0 212.337 1.049 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)[C@@H]2CCO[C@H]21 ZINC000227072501 535076110 /nfs/dbraw/zinc/07/61/10/535076110.db2.gz HPRVCTIXZCOLSP-OBPIAQAESA-N 1 0 239.359 1.693 10 0 BDAERO CCC(CC)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087121959 535076529 /nfs/dbraw/zinc/07/65/29/535076529.db2.gz SQRSQCOTEOAGJD-ONGXEEELSA-N 1 0 212.337 1.679 10 0 BDAERO CCC(CC)[C@@H](O)C[NH2+]Cc1cnn(C)c1C ZINC000229810130 535119628 /nfs/dbraw/zinc/11/96/28/535119628.db2.gz AZRRNBSUWNTKPJ-ZDUSSCGKSA-N 1 0 239.363 1.615 10 0 BDAERO CC(C)N1C[C@H]([NH2+][C@H]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249242991 535265802 /nfs/dbraw/zinc/26/58/02/535265802.db2.gz DIANSCLMPCDHTI-CRWXNKLISA-N 1 0 240.391 1.730 10 0 BDAERO CC[NH2+]C1CCN(c2cc(C)ncn2)CC1 ZINC000040726714 535451283 /nfs/dbraw/zinc/45/12/83/535451283.db2.gz YNFCICNUJYYRHF-UHFFFAOYSA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000051399166 535479411 /nfs/dbraw/zinc/47/94/11/535479411.db2.gz IIEIQVIIJWAFBV-UHFFFAOYSA-N 1 0 221.304 1.028 10 0 BDAERO CCCc1nsc(N2CCC(C[NH3+])CC2)n1 ZINC000083651303 535568269 /nfs/dbraw/zinc/56/82/69/535568269.db2.gz UJISGLKWNRQJSV-UHFFFAOYSA-N 1 0 240.376 1.666 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000262107498 535677654 /nfs/dbraw/zinc/67/76/54/535677654.db2.gz GBYJAEBMLFSNCV-UKKRHICBSA-N 1 0 242.363 1.290 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CCC1 ZINC000334268146 535689756 /nfs/dbraw/zinc/68/97/56/535689756.db2.gz PKGMARBJRUTLBI-ZYHUDNBSSA-N 1 0 224.348 1.776 10 0 BDAERO CC[NH+]1CCN(c2ccc([C@H](C)O)cc2)CC1 ZINC000035631445 535748179 /nfs/dbraw/zinc/74/81/79/535748179.db2.gz SNGXZIHXPGXBTQ-LBPRGKRZSA-N 1 0 234.343 1.882 10 0 BDAERO CC[N@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000249712797 535784709 /nfs/dbraw/zinc/78/47/09/535784709.db2.gz GAFAFWOQSJKHNA-VWYCJHECSA-N 1 0 211.305 1.812 10 0 BDAERO CC[C@@H]1COCCN1c1cccc(C[NH3+])n1 ZINC000051397043 535837071 /nfs/dbraw/zinc/83/70/71/535837071.db2.gz BVDVKXLSPGOCSQ-LLVKDONJSA-N 1 0 221.304 1.156 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1c1cccc(C[NH3+])n1 ZINC000051397958 535843263 /nfs/dbraw/zinc/84/32/63/535843263.db2.gz KGLWCFODCUFIGW-CMPLNLGQSA-N 1 0 235.331 1.544 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251886741 536003762 /nfs/dbraw/zinc/00/37/62/536003762.db2.gz WECMQBFORVGJQW-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO CC[C@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263224630 536026989 /nfs/dbraw/zinc/02/69/89/536026989.db2.gz MOSMWIFGSWDKEB-DTWKUNHWSA-N 1 0 224.308 1.159 10 0 BDAERO CC[C@H]1CC[C@@H]([NH2+]CCc2ncn(C)n2)C1 ZINC000087416294 536094674 /nfs/dbraw/zinc/09/46/74/536094674.db2.gz AXXPFBHXWLJPNL-WDEREUQCSA-N 1 0 222.336 1.526 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)C(=O)NC(C)C ZINC000228947476 536102297 /nfs/dbraw/zinc/10/22/97/536102297.db2.gz DWYFNPAYJFSFKZ-NSHDSACASA-N 1 0 237.347 1.511 10 0 BDAERO CC[C@H]([NH3+])C(=O)N1CCCc2c(N)cccc21 ZINC000261731013 536140604 /nfs/dbraw/zinc/14/06/04/536140604.db2.gz HDALEIHTBVHUNS-JTQLQIEISA-N 1 0 233.315 1.285 10 0 BDAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC000248713424 536174287 /nfs/dbraw/zinc/17/42/87/536174287.db2.gz DIHDSBNJRMSJBD-NWDGAFQWSA-N 1 0 237.347 1.463 10 0 BDAERO CN(c1nc(C(C)(C)C)ns1)C1C[NH2+]C1 ZINC000085258410 536302262 /nfs/dbraw/zinc/30/22/62/536302262.db2.gz ZYKVMUARGLMTCJ-UHFFFAOYSA-N 1 0 226.349 1.244 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2ccnc3cccnc32)C1 ZINC000341036509 536366185 /nfs/dbraw/zinc/36/61/85/536366185.db2.gz QDSHABFBTPHHGR-LLVKDONJSA-N 1 0 242.326 1.818 10 0 BDAERO C[NH2+][C@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000231425258 536413604 /nfs/dbraw/zinc/41/36/04/536413604.db2.gz XNFUDCOOOSFVBO-LBPRGKRZSA-N 1 0 223.295 1.405 10 0 BDAERO COCCOCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000079402642 536500818 /nfs/dbraw/zinc/50/08/18/536500818.db2.gz MPXFHXBWEMAQBU-QWHCGFSZSA-N 1 0 243.347 1.293 10 0 BDAERO COC1(C[N@@H+]2C[C@H](C)OC[C@H]2C)CCC1 ZINC000336196800 536630786 /nfs/dbraw/zinc/63/07/86/536630786.db2.gz YTZVNABBJRREBB-MNOVXSKESA-N 1 0 213.321 1.665 10 0 BDAERO COC1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000037265602 536756409 /nfs/dbraw/zinc/75/64/09/536756409.db2.gz LVLPELVMSUVNSN-UHFFFAOYSA-N 1 0 221.304 1.156 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)C1CC1 ZINC000168003282 536879203 /nfs/dbraw/zinc/87/92/03/536879203.db2.gz RQLNNTCDEXOGQS-UPJWGTAASA-N 1 0 227.348 1.552 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)C1CC1 ZINC000252851371 536879295 /nfs/dbraw/zinc/87/92/95/536879295.db2.gz FQOIFPDACPILSO-FRRDWIJNSA-N 1 0 227.348 1.695 10 0 BDAERO COc1ccccc1N1C[C@H](C)[NH2+]C[C@H]1C ZINC000071522588 537076872 /nfs/dbraw/zinc/07/68/72/537076872.db2.gz LVOBGFRXNPCNHM-WDEREUQCSA-N 1 0 220.316 1.882 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000081981766 537846781 /nfs/dbraw/zinc/84/67/81/537846781.db2.gz SIKRINWNVOTJAT-UWVGGRQHSA-N 1 0 233.377 1.716 10 0 BDAERO CCC(CC)n1ncc2c1nc[nH+]c2NN ZINC000669377310 566385648 /nfs/dbraw/zinc/38/56/48/566385648.db2.gz MFQMSCWDBKEMJX-UHFFFAOYSA-N 1 0 220.280 1.473 10 0 BDAERO CC[C@@H](C[NH3+])[C@H](O)c1scnc1Cl ZINC000669377055 566423994 /nfs/dbraw/zinc/42/39/94/566423994.db2.gz FKQBYJBIDSIMDX-WDSKDSINSA-N 1 0 220.725 1.815 10 0 BDAERO [NH3+]Cc1ccc(-c2cscn2)nc1F ZINC000669380900 566424843 /nfs/dbraw/zinc/42/48/43/566424843.db2.gz ROAWOWZDVLFHGV-UHFFFAOYSA-N 1 0 209.249 1.803 10 0 BDAERO CC(=O)NC[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000669380691 566425762 /nfs/dbraw/zinc/42/57/62/566425762.db2.gz SYYPTHXFBODNRN-WOPDTQHZSA-N 1 0 210.321 1.291 10 0 BDAERO Cc1coc(-c2cc(C[NH3+])ccc2N)n1 ZINC000669380740 566425815 /nfs/dbraw/zinc/42/58/15/566425815.db2.gz VCMBRIIEABTEMS-UHFFFAOYSA-N 1 0 203.245 1.691 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)CCCOC)C1 ZINC000395429080 583057705 /nfs/dbraw/zinc/05/77/05/583057705.db2.gz YKXYLOICMKPTAB-STQMWFEESA-N 1 0 244.379 1.112 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC1(C)CCC([NH3+])CC1 ZINC000725263376 566308883 /nfs/dbraw/zinc/30/88/83/566308883.db2.gz UKLUPJTVBVLWEV-ZBOXLXRLSA-N 1 0 241.379 1.990 10 0 BDAERO CCCCS(=O)(=O)Nc1cccc(C[NH3+])n1 ZINC000074377913 566302513 /nfs/dbraw/zinc/30/25/13/566302513.db2.gz RGZMZYIWRJDHLS-UHFFFAOYSA-N 1 0 243.332 1.082 10 0 BDAERO Cc1cc2c(ncnc2N2CCC[C@H]([NH3+])C2)s1 ZINC000111237563 588731605 /nfs/dbraw/zinc/73/16/05/588731605.db2.gz SXWPRJPYRPPMRF-VIFPVBQESA-N 1 0 248.355 1.927 10 0 BDAERO COCCC[NH2+]CC(C)(C)CCOC ZINC000234594760 582461184 /nfs/dbraw/zinc/46/11/84/582461184.db2.gz SKEQSFKCUOAMFC-UHFFFAOYSA-N 1 0 203.326 1.675 10 0 BDAERO C[NH2+]Cc1sc([C@H](O)[C@H]2C[C@H]2C)nc1C ZINC000757123877 582498933 /nfs/dbraw/zinc/49/89/33/582498933.db2.gz BFVZVDFGVGCXJL-KDILMLJESA-N 1 0 226.345 1.860 10 0 BDAERO C[C@@H]1CC[C@]2(CCCN2CCCF)C[NH2+]1 ZINC000757125398 582499802 /nfs/dbraw/zinc/49/98/02/582499802.db2.gz DJZNJGVPDDQOAZ-VXGBXAGGSA-N 1 0 214.328 1.953 10 0 BDAERO CC[C@H](O)c1nc(C)c(C[NH2+]C)s1 ZINC000757125027 582499901 /nfs/dbraw/zinc/49/99/01/582499901.db2.gz DVASMIQUALRTLD-ZETCQYMHSA-N 1 0 200.307 1.614 10 0 BDAERO Cc1nc(C(=O)C(C)(C)F)sc1C[NH3+] ZINC000757125686 582500099 /nfs/dbraw/zinc/50/00/99/582500099.db2.gz SSJFNHWCTWHROE-UHFFFAOYSA-N 1 0 216.281 1.841 10 0 BDAERO C[NH2+]Cc1csc([C@H](O)C(F)(F)F)n1 ZINC000757128151 582502386 /nfs/dbraw/zinc/50/23/86/582502386.db2.gz JWFNSRDUNYNCRO-YFKPBYRVSA-N 1 0 226.223 1.458 10 0 BDAERO FC(F)CN1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129224 582504727 /nfs/dbraw/zinc/50/47/27/582504727.db2.gz KYQWFSKDFJTYJD-LBPRGKRZSA-N 1 0 230.302 1.812 10 0 BDAERO CCOC(=O)c1ccc(OC)c2c1CC[NH2+]CC2 ZINC000757131138 582506011 /nfs/dbraw/zinc/50/60/11/582506011.db2.gz DTHRSBNUUIWGPP-UHFFFAOYSA-N 1 0 249.310 1.560 10 0 BDAERO C[C@H](F)CN1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757133890 582510255 /nfs/dbraw/zinc/51/02/55/582510255.db2.gz VMMPYNOTRYCLQZ-GRYCIOLGSA-N 1 0 214.328 1.808 10 0 BDAERO C[C@H](F)CN1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757133892 582510281 /nfs/dbraw/zinc/51/02/81/582510281.db2.gz VMMPYNOTRYCLQZ-SRVKXCTJSA-N 1 0 214.328 1.808 10 0 BDAERO C[C@H](F)CN1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757134074 582510374 /nfs/dbraw/zinc/51/03/74/582510374.db2.gz WAMSSILPBQNZQR-TUAOUCFPSA-N 1 0 214.328 1.951 10 0 BDAERO CC[C@H](C)[C@H](O)c1nc(C)c(C[NH3+])s1 ZINC000757134301 582511451 /nfs/dbraw/zinc/51/14/51/582511451.db2.gz YBFXJORDXKLIBI-RCOVLWMOSA-N 1 0 214.334 1.990 10 0 BDAERO C[NH2+]Cc1csc([C@@H](O)C(F)F)n1 ZINC000757134917 582513348 /nfs/dbraw/zinc/51/33/48/582513348.db2.gz ZHPLJHARHVTLGY-YFKPBYRVSA-N 1 0 208.233 1.161 10 0 BDAERO CC1(C)CCC[C@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757138194 582517035 /nfs/dbraw/zinc/51/70/35/582517035.db2.gz BBBXRJVXQMWQNE-ZDUSSCGKSA-N 1 0 225.332 1.919 10 0 BDAERO CC(C)[C@@H]1O[C@]2(CCOC2)[NH2+]CC12CC2 ZINC000757139320 582519157 /nfs/dbraw/zinc/51/91/57/582519157.db2.gz GSTOHYLYSIJLCO-JQWIXIFHSA-N 1 0 211.305 1.528 10 0 BDAERO [NH3+]C[C@H]1CCN1c1nnc(C(F)F)s1 ZINC000757142787 582522801 /nfs/dbraw/zinc/52/28/01/582522801.db2.gz GIPDKWBJXYJFAC-SCSAIBSYSA-N 1 0 220.248 1.013 10 0 BDAERO CCc1ccc(CN2CC[C@@H]2C[NH3+])nc1 ZINC000757142884 582522894 /nfs/dbraw/zinc/52/28/94/582522894.db2.gz FYACOTZYVYHJEE-GFCCVEGCSA-N 1 0 205.305 1.177 10 0 BDAERO CC(C)[C@@H]1OC2(CCOCC2)[NH2+]CC12CC2 ZINC000757143829 582524577 /nfs/dbraw/zinc/52/45/77/582524577.db2.gz MYCUIZIMVKSJQB-NSHDSACASA-N 1 0 225.332 1.918 10 0 BDAERO C1CC2(C1)C[NH2+][C@]1(CCCOCC1)OC2 ZINC000757144587 582525521 /nfs/dbraw/zinc/52/55/21/582525521.db2.gz OVQJKMUGHUISTA-GFCCVEGCSA-N 1 0 211.305 1.673 10 0 BDAERO CCC1(CC)CN[C@@]2(CCC[NH2+]C2)OC1 ZINC000757145121 582527794 /nfs/dbraw/zinc/52/77/94/582527794.db2.gz HUBLIHICEIKEHI-LBPRGKRZSA-N 1 0 212.337 1.492 10 0 BDAERO FCC1(CF)CC2(C1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757146251 582529923 /nfs/dbraw/zinc/52/99/23/582529923.db2.gz QSPKSEMHIAETPD-LLVKDONJSA-N 1 0 247.285 1.571 10 0 BDAERO CC(C)[C@H]1OC2(CC[NH2+]CC2)NCC12CC2 ZINC000757148285 582533297 /nfs/dbraw/zinc/53/32/97/582533297.db2.gz TZFWYUNFGJSQCZ-LLVKDONJSA-N 1 0 224.348 1.491 10 0 BDAERO CC1(C)CC[NH2+][C@@]2(CN3CCC2CC3)O1 ZINC000757150249 582533819 /nfs/dbraw/zinc/53/38/19/582533819.db2.gz QMHXJJPEQAXZEU-LBPRGKRZSA-N 1 0 210.321 1.197 10 0 BDAERO CCCN(C)S(=O)(=O)C[C@H]([NH3+])[C@@H](C)CC ZINC000757151546 582536059 /nfs/dbraw/zinc/53/60/59/582536059.db2.gz HQCBOMMZDSHSEI-UWVGGRQHSA-N 1 0 236.381 1.031 10 0 BDAERO CCOc1cccc(N2CC[C@@H]2C[NH3+])n1 ZINC000757152911 582537457 /nfs/dbraw/zinc/53/74/57/582537457.db2.gz RYYCRBZFVBLHIW-SECBINFHSA-N 1 0 207.277 1.018 10 0 BDAERO CC(C)[C@H]1O[C@]2(CCN(C)C2)[NH2+]CC1(C)C ZINC000757153812 582538829 /nfs/dbraw/zinc/53/88/29/582538829.db2.gz XQAGABIKOFPJMF-YPMHNXCESA-N 1 0 226.364 1.689 10 0 BDAERO [NH3+]C[C@@H]1CCN1Cc1sccc1Cl ZINC000757159562 582541171 /nfs/dbraw/zinc/54/11/71/582541171.db2.gz QIQPXNAZHGLDLP-ZETCQYMHSA-N 1 0 216.737 1.935 10 0 BDAERO Cc1cc(C[C@@H](O)CC[NH3+])ccc1Cl ZINC000757159899 582541445 /nfs/dbraw/zinc/54/14/45/582541445.db2.gz QPJYZDRSBROAJF-JTQLQIEISA-N 1 0 213.708 1.901 10 0 BDAERO Cc1ccoc1CS[C@H]1COCC[C@@H]1[NH3+] ZINC000757162683 582545642 /nfs/dbraw/zinc/54/56/42/582545642.db2.gz ANVWHBJZVNIUQE-ONGXEEELSA-N 1 0 227.329 1.937 10 0 BDAERO CCc1ccc(CSC[C@H](O)CC[NH3+])o1 ZINC000757163944 582545667 /nfs/dbraw/zinc/54/56/67/582545667.db2.gz FXUFCVZOMWCCDN-SECBINFHSA-N 1 0 229.345 1.785 10 0 BDAERO Cc1ccoc1CS[C@@H](C)[C@@H](O)C[NH3+] ZINC000757164803 582546560 /nfs/dbraw/zinc/54/65/60/582546560.db2.gz ISVWIJVUEATUAL-IUCAKERBSA-N 1 0 215.318 1.529 10 0 BDAERO C[NH2+]C[C@@H](O)CCSCc1occc1C ZINC000757165568 582547101 /nfs/dbraw/zinc/54/71/01/582547101.db2.gz MJVFOXUSAJARSI-JTQLQIEISA-N 1 0 229.345 1.792 10 0 BDAERO C[NH2+][C@@H](CO)[C@@H](C)SCc1occc1C ZINC000757166497 582547641 /nfs/dbraw/zinc/54/76/41/582547641.db2.gz VUKFHPMEIYOAQM-ZJUUUORDSA-N 1 0 229.345 1.790 10 0 BDAERO CC[NH2+][C@@H](CO)CSCc1occc1C ZINC000757166034 582548216 /nfs/dbraw/zinc/54/82/16/582548216.db2.gz QYIMRYIWOGPTCB-JTQLQIEISA-N 1 0 229.345 1.792 10 0 BDAERO CCc1ccc(CS[C@@H](CO)[C@H](C)[NH3+])o1 ZINC000757167280 582548837 /nfs/dbraw/zinc/54/88/37/582548837.db2.gz UGYWADBIBIVJOU-KWQFWETISA-N 1 0 229.345 1.783 10 0 BDAERO C[C@](O)(C[NH3+])CSCc1ccc(Cl)o1 ZINC000757171042 582550719 /nfs/dbraw/zinc/55/07/19/582550719.db2.gz SDYNCEPKVXVGHO-VIFPVBQESA-N 1 0 235.736 1.876 10 0 BDAERO CCc1ccc(CSCC[C@H](O)C[NH3+])o1 ZINC000757172741 582551779 /nfs/dbraw/zinc/55/17/79/582551779.db2.gz YXEAFXZAUZJGDN-VIFPVBQESA-N 1 0 229.345 1.785 10 0 BDAERO [NH3+]CC[C@@H](O)CSCc1ccc(Cl)o1 ZINC000757171961 582552048 /nfs/dbraw/zinc/55/20/48/582552048.db2.gz WKVJZHJGNIPZJI-SSDOTTSWSA-N 1 0 235.736 1.876 10 0 BDAERO CC(C)C[NH+]1CCC2(C[NH2+]C[C@H]2C(=O)[O-])CC1 ZINC000757184571 582554393 /nfs/dbraw/zinc/55/43/93/582554393.db2.gz LYYDUGLNDXIKGL-NSHDSACASA-N 1 0 240.347 1.029 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1N ZINC000757185115 582554759 /nfs/dbraw/zinc/55/47/59/582554759.db2.gz RRORZSMMDLQWIX-QWRGUYRKSA-N 1 0 234.299 1.135 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)o1 ZINC000757192522 582556904 /nfs/dbraw/zinc/55/69/04/582556904.db2.gz ZFEMSYOEGUMBJW-SFYZADRCSA-N 1 0 243.690 1.799 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)o1 ZINC000757192521 582556991 /nfs/dbraw/zinc/55/69/91/582556991.db2.gz ZFEMSYOEGUMBJW-JGVFFNPUSA-N 1 0 243.690 1.799 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2CC[C@H](C(=O)[O-])C[NH2+]2)cc1 ZINC000757207721 582559014 /nfs/dbraw/zinc/55/90/14/582559014.db2.gz BPMNMJGGUUKDRT-RYUDHWBXSA-N 1 0 234.299 1.271 10 0 BDAERO CC(=O)c1cccc([C@@H]2NC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000757218533 582562831 /nfs/dbraw/zinc/56/28/31/582562831.db2.gz VQYPNSVNZLEOLW-BIGNPOOSSA-N 1 0 232.327 1.887 10 0 BDAERO CC(=O)c1cccc([C@@H]2NC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000757218534 582562920 /nfs/dbraw/zinc/56/29/20/582562920.db2.gz VQYPNSVNZLEOLW-CUOATXAZSA-N 1 0 232.327 1.887 10 0 BDAERO C[C@@H]1C[C@H](c2cccc(N)c2)NC[C@@H]1[NH3+] ZINC000757219592 582563600 /nfs/dbraw/zinc/56/36/00/582563600.db2.gz YZGQIVIUTCPPDS-JFUSQASVSA-N 1 0 205.305 1.267 10 0 BDAERO C[C@H]1CN2C[C@@H](c3ccccc3)CNC2=[NH+]1 ZINC000235693834 582603376 /nfs/dbraw/zinc/60/33/76/582603376.db2.gz LOCJRBQMDVKPFZ-JQWIXIFHSA-N 1 0 215.300 1.434 10 0 BDAERO Cc1cc(C)cc([C@@H]2CC[NH+]=C(N)N2)c1 ZINC000235827455 582614298 /nfs/dbraw/zinc/61/42/98/582614298.db2.gz OJNUBKFBTZXWJL-NSHDSACASA-N 1 0 203.289 1.653 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@H]2[C@H]1CCOC1 ZINC000236046232 582637337 /nfs/dbraw/zinc/63/73/37/582637337.db2.gz OFQZSJSQGJJEQM-UWVGGRQHSA-N 1 0 207.277 1.585 10 0 BDAERO Fc1ccc([C@@H]2CCNC3=[NH+]CCN32)cc1 ZINC000236199816 582640834 /nfs/dbraw/zinc/64/08/34/582640834.db2.gz FOSMQIZHGOXNAJ-NSHDSACASA-N 1 0 219.263 1.532 10 0 BDAERO Fc1ccc([C@H]2CCn3cc[nH+]c3N2)nc1 ZINC000236244732 582643406 /nfs/dbraw/zinc/64/34/06/582643406.db2.gz ZUSJQDCIRXMOOI-SNVBAGLBSA-N 1 0 218.235 1.974 10 0 BDAERO CC(C)[C@H]([NH2+]Cc1cccc(Cl)c1)C(N)=O ZINC000107323054 582804990 /nfs/dbraw/zinc/80/49/90/582804990.db2.gz FEZLSRBIXTVBAB-NSHDSACASA-N 1 0 240.734 1.940 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000111689946 582861203 /nfs/dbraw/zinc/86/12/03/582861203.db2.gz PJVWYPHIGBLHTR-CYBMUJFWSA-N 1 0 232.327 1.925 10 0 BDAERO COC(=O)[C@@H](CC(C)C)n1cc[nH+]c1N ZINC000702655549 582926483 /nfs/dbraw/zinc/92/64/83/582926483.db2.gz ZBDXXQAUEUAGHL-MRVPVSSYSA-N 1 0 211.265 1.226 10 0 BDAERO C[C@H](C(=O)C(F)(F)F)[C@@H]1COC[C@@H](C)[NH2+]1 ZINC000702914114 582929908 /nfs/dbraw/zinc/92/99/08/582929908.db2.gz MSQXLNGHIBYRAN-VQVTYTSYSA-N 1 0 225.210 1.131 10 0 BDAERO CCC[NH+](CCC)[C@@H]1CCOC[C@@H]1O ZINC000706788084 582961204 /nfs/dbraw/zinc/96/12/04/582961204.db2.gz HMIMUYDWKGIWAI-MNOVXSKESA-N 1 0 201.310 1.258 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000396029903 583076438 /nfs/dbraw/zinc/07/64/38/583076438.db2.gz VNHWERJTUJCOTR-GFCCVEGCSA-N 1 0 227.352 1.616 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)CCC2CC2)C1 ZINC000398182074 583123937 /nfs/dbraw/zinc/12/39/37/583123937.db2.gz SYPDOWGSLIHRHY-TZMCWYRMSA-N 1 0 240.391 1.875 10 0 BDAERO C[C@H](C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000399142785 583171025 /nfs/dbraw/zinc/17/10/25/583171025.db2.gz GPZFOAUHTMXWPL-MXWKQRLJSA-N 1 0 226.364 1.912 10 0 BDAERO C[C@H]([NH2+]C1CCN(CCO)CC1)c1ccco1 ZINC000399202641 583171905 /nfs/dbraw/zinc/17/19/05/583171905.db2.gz UNNAOBLIZIZCLX-NSHDSACASA-N 1 0 238.331 1.387 10 0 BDAERO c1cc([C@@H]2CCNC3=[NH+]CCN32)cs1 ZINC000232463219 585030913 /nfs/dbraw/zinc/03/09/13/585030913.db2.gz XKCJFEVVPCGUPG-VIFPVBQESA-N 1 0 207.302 1.454 10 0 BDAERO Cn1c(NC2CC[NH2+]CC2)nc2cccnc21 ZINC000757569666 586376570 /nfs/dbraw/zinc/37/65/70/586376570.db2.gz UVAXAJIHLBUIMS-UHFFFAOYSA-N 1 0 231.303 1.132 10 0 BDAERO [NH3+]CCc1csc([C@H](O)C2CCC2)n1 ZINC000757134733 586427142 /nfs/dbraw/zinc/42/71/42/586427142.db2.gz YUINKDQKZZAGPZ-SECBINFHSA-N 1 0 212.318 1.478 10 0 BDAERO CC1(C)CC[C@@]2(C1)NC1(C[NH2+]C1)CCO2 ZINC000757146421 586428942 /nfs/dbraw/zinc/42/89/42/586428942.db2.gz KLKAETQTFQJEOO-GFCCVEGCSA-N 1 0 210.321 1.245 10 0 BDAERO O[C@H]1C[NH2+]C[C@H]1SCc1ccc(Cl)o1 ZINC000757168524 586432546 /nfs/dbraw/zinc/43/25/46/586432546.db2.gz AOCLAJVOKSRELP-JGVFFNPUSA-N 1 0 233.720 1.499 10 0 BDAERO Cc1ccoc1CSCC[C@@](C)(O)C[NH3+] ZINC000757167232 586432757 /nfs/dbraw/zinc/43/27/57/586432757.db2.gz TZGMKPVYCBOOKW-LLVKDONJSA-N 1 0 229.345 1.921 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@]2([NH3+])C[C@H]2C1 ZINC000757175252 586433084 /nfs/dbraw/zinc/43/30/84/586433084.db2.gz KVKXZCMOLBVQBH-CABZTGNLSA-N 1 0 226.320 1.735 10 0 BDAERO CC(=O)c1ccc([C@H]2NCCC[C@H]2[NH3+])cc1 ZINC000757211000 586437535 /nfs/dbraw/zinc/43/75/35/586437535.db2.gz FFSUSPLQSQMTOG-CHWSQXEVSA-N 1 0 218.300 1.641 10 0 BDAERO C[C@@H]1CCN[C@H](c2ccc(C=O)s2)[C@@H]1[NH3+] ZINC000757207204 586437743 /nfs/dbraw/zinc/43/77/43/586437743.db2.gz BHDRYEKVERJLIK-AVPPRXQKSA-N 1 0 224.329 1.558 10 0 BDAERO [NH3+]C[C@H]1CC[NH2+][C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757208674 586437884 /nfs/dbraw/zinc/43/78/84/586437884.db2.gz AOXUCPOYMVEGAI-CABZTGNLSA-N 1 0 234.299 1.384 10 0 BDAERO Nc1ccc(-c2cncnc2)c2c1C[NH2+]CC2 ZINC000757208456 586438092 /nfs/dbraw/zinc/43/80/92/586438092.db2.gz CTOVRVSQPZEIKF-UHFFFAOYSA-N 1 0 226.283 1.372 10 0 BDAERO [NH3+]Cc1cccc([C@H]2CCC[NH2+][C@@H]2C(=O)[O-])c1 ZINC000757210590 586438311 /nfs/dbraw/zinc/43/83/11/586438311.db2.gz GAVXQFRADSYVHO-NEPJUHHUSA-N 1 0 234.299 1.066 10 0 BDAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2ccc(C(=O)[O-])cc2)[NH2+]1 ZINC000757213341 586439148 /nfs/dbraw/zinc/43/91/48/586439148.db2.gz JPWTZLKDYHZUGS-ICCXJUOJSA-N 1 0 248.326 1.773 10 0 BDAERO [NH3+][C@@H]1CCCN[C@H]1c1ccc(C=O)s1 ZINC000757213032 586439177 /nfs/dbraw/zinc/43/91/77/586439177.db2.gz KSXGGGSFEFLJLI-PSASIEDQSA-N 1 0 210.302 1.312 10 0 BDAERO [NH3+][C@H]1CCCN[C@H]1c1ccc(C=O)s1 ZINC000757213071 586439541 /nfs/dbraw/zinc/43/95/41/586439541.db2.gz KSXGGGSFEFLJLI-WCBMZHEXSA-N 1 0 210.302 1.312 10 0 BDAERO NC[C@H]1C[C@@H](c2cccc(C=O)c2)CC[NH2+]1 ZINC000757213646 586439798 /nfs/dbraw/zinc/43/97/98/586439798.db2.gz LHPJEQIZGJDZIB-QWHCGFSZSA-N 1 0 218.300 1.293 10 0 BDAERO NC[C@@H]1C[C@@H](c2cccc(C=O)c2)CC[NH2+]1 ZINC000757213647 586439979 /nfs/dbraw/zinc/43/99/79/586439979.db2.gz LHPJEQIZGJDZIB-STQMWFEESA-N 1 0 218.300 1.293 10 0 BDAERO [NH3+][C@@H]1CCCN[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757215080 586440220 /nfs/dbraw/zinc/44/02/20/586440220.db2.gz MJLHVVUKMNVBAP-GHMZBOCLSA-N 1 0 220.272 1.137 10 0 BDAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cccc(C(=O)[O-])c2)[NH2+]1 ZINC000757215175 586440235 /nfs/dbraw/zinc/44/02/35/586440235.db2.gz MSLZNFHSHVQSMC-ICCXJUOJSA-N 1 0 248.326 1.773 10 0 BDAERO [NH3+]CC[C@H]1CC[C@@H](c2cccc(C(=O)[O-])c2)[NH2+]C1 ZINC000757216065 586440715 /nfs/dbraw/zinc/44/07/15/586440715.db2.gz OYEZZXAYJIWLQB-MFKMUULPSA-N 1 0 248.326 1.774 10 0 BDAERO N[C@H]1C[NH2+]CC[C@@H]1c1cccc2cc[nH]c21 ZINC000757217126 586441096 /nfs/dbraw/zinc/44/10/96/586441096.db2.gz RHZGYLSYUNJAPZ-PWSUYJOCSA-N 1 0 215.300 1.572 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)cc1 ZINC000757217131 586441435 /nfs/dbraw/zinc/44/14/35/586441435.db2.gz RITIINJTCYGUIS-NEPJUHHUSA-N 1 0 234.299 1.066 10 0 BDAERO C[C@@H]1C[C@H](c2cccc(C=O)c2)NC[C@@H]1[NH3+] ZINC000757217190 586441436 /nfs/dbraw/zinc/44/14/36/586441436.db2.gz RIFOAGZGZQTXEI-JIMOISOXSA-N 1 0 218.300 1.497 10 0 BDAERO [NH3+]C[C@H]1CCC[NH2+][C@H]1c1cccc(C(=O)[O-])c1 ZINC000757219403 586442411 /nfs/dbraw/zinc/44/24/11/586442411.db2.gz YREDPBPBJPOKGD-NEPJUHHUSA-N 1 0 234.299 1.384 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN[C@H]1c1cnn(C(C)(C)C)c1 ZINC000757229327 586442857 /nfs/dbraw/zinc/44/28/57/586442857.db2.gz DPEMLNDRVLDJIO-YUSALJHKSA-N 1 0 236.363 1.636 10 0 BDAERO Cc1sc([C@@H]2C[NH2+]C[C@@H]([NH3+])C2)cc1C(=O)[O-] ZINC000757231256 586443317 /nfs/dbraw/zinc/44/33/17/586443317.db2.gz HJESKODEAQBJCP-YUMQZZPRSA-N 1 0 240.328 1.159 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1[NH2+]C[C@H](C)C[C@H]1N ZINC000757239275 586444201 /nfs/dbraw/zinc/44/42/01/586444201.db2.gz TYJODZGDBZHUEM-WQHBLYJGSA-N 1 0 219.332 1.575 10 0 BDAERO Cc1ccc(N)cc1[C@H]1CC[NH2+][C@@H](CN)C1 ZINC000757239494 586444212 /nfs/dbraw/zinc/44/42/12/586444212.db2.gz UKMJQEHCVUGBCN-CMPLNLGQSA-N 1 0 219.332 1.372 10 0 BDAERO CC[C@@]1([NH3+])CC=C(c2cnnn2C)CC1 ZINC000757568284 586462055 /nfs/dbraw/zinc/46/20/55/586462055.db2.gz QVIOVIMXVHSNTN-LLVKDONJSA-N 1 0 206.293 1.490 10 0 BDAERO CCCCCCn1nnc2c1nc[nH+]c2NN ZINC000757570520 586462328 /nfs/dbraw/zinc/46/23/28/586462328.db2.gz XFJAPBIDZLSHRS-UHFFFAOYSA-N 1 0 235.295 1.087 10 0 BDAERO COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1nccc1C ZINC000203546993 589246992 /nfs/dbraw/zinc/24/69/92/589246992.db2.gz DZGCZVIDBWKQHW-KOLCDFICSA-N 1 0 225.292 1.033 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)N2CCCCC2)C1 ZINC000122402352 589586149 /nfs/dbraw/zinc/58/61/49/589586149.db2.gz JXQBARRDGKERFS-NSHDSACASA-N 1 0 225.336 1.228 10 0 BDAERO C[C@@H]1CN(c2ccc(Cl)nn2)C[C@@H]1[NH+](C)C ZINC000124755539 590081008 /nfs/dbraw/zinc/08/10/08/590081008.db2.gz NSSKGUOBIVFKAR-BDAKNGLRSA-N 1 0 240.738 1.516 10 0 BDAERO Clc1cncc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000126469197 590314090 /nfs/dbraw/zinc/31/40/90/590314090.db2.gz BBYQDPWSAPPJOD-MRVPVSSYSA-N 1 0 226.711 1.542 10 0 BDAERO C[C@@H](Nc1cncc(Cl)n1)[C@H]1CCC[NH2+]C1 ZINC000126471708 590315665 /nfs/dbraw/zinc/31/56/65/590315665.db2.gz WLMJGYUUUFEBCG-BDAKNGLRSA-N 1 0 240.738 1.930 10 0 BDAERO COc1ccc2oc(N[C@@H](C)C[NH3+])nc2c1 ZINC000212440187 591395101 /nfs/dbraw/zinc/39/51/01/591395101.db2.gz CIOXFTIFZDKPRP-ZETCQYMHSA-N 1 0 221.260 1.596 10 0 BDAERO Cc1cc2c(NCC3CC([NH3+])C3)nccn2n1 ZINC000130421400 591466775 /nfs/dbraw/zinc/46/67/75/591466775.db2.gz LZZHERSICAEFBJ-UHFFFAOYSA-N 1 0 231.303 1.187 10 0 BDAERO CCC[C@H](OC)c1noc([C@H](N)COC)n1 ZINC000131170760 591565029 /nfs/dbraw/zinc/56/50/29/591565029.db2.gz PICIMSUVDCMKCN-SFYZADRCSA-N 1 0 229.280 1.203 10 0 BDAERO CO[C@H](c1noc([C@@H]2CCC[NH2+]2)n1)C1CC1 ZINC000131262056 591580002 /nfs/dbraw/zinc/58/00/02/591580002.db2.gz JSGNCPHDRRULAJ-IUCAKERBSA-N 1 0 223.276 1.592 10 0 BDAERO c1ccc2c(c1)OC[C@@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000132265596 591697170 /nfs/dbraw/zinc/69/71/70/591697170.db2.gz RFQRFQNKMXYSAS-YPMHNXCESA-N 1 0 232.327 1.709 10 0 BDAERO CCCc1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000134612464 591941850 /nfs/dbraw/zinc/94/18/50/591941850.db2.gz WVMWRTBYSHWZED-SECBINFHSA-N 1 0 209.293 1.564 10 0 BDAERO CNC(=O)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134651697 591945553 /nfs/dbraw/zinc/94/55/53/591945553.db2.gz UUFCCSQZWIYUQC-UHFFFAOYSA-N 1 0 226.707 1.484 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]CCCNC(=O)OC(C)(C)C ZINC000135300942 592003561 /nfs/dbraw/zinc/00/35/61/592003561.db2.gz MYUPFJPEPFJBQX-UWVGGRQHSA-N 1 0 228.336 1.899 10 0 BDAERO COC(=O)/C(C)=C/C[N@@H+]1CCS[C@@H](C)C1 ZINC000135355379 592009411 /nfs/dbraw/zinc/00/94/11/592009411.db2.gz LKWPYHMXEGRDGG-LLGDCAAFSA-N 1 0 229.345 1.543 10 0 BDAERO COc1ncccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136348435 592107600 /nfs/dbraw/zinc/10/76/00/592107600.db2.gz QDDIXUOEQWKOOK-SECBINFHSA-N 1 0 237.303 1.402 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1COc2ccccc21 ZINC000136468044 592128754 /nfs/dbraw/zinc/12/87/54/592128754.db2.gz NUMQLDDWPULUBS-RYUDHWBXSA-N 1 0 248.326 1.610 10 0 BDAERO C[NH+](C)[C@H]1CCN(CC[C@@H](O)c2ccccc2)C1 ZINC000220286188 592299826 /nfs/dbraw/zinc/29/98/26/592299826.db2.gz HFAFTKBEVDTUDE-LSDHHAIUSA-N 1 0 248.370 1.746 10 0 BDAERO COCC[C@@H](CO)[NH2+]CCc1ccccc1 ZINC000300915452 592524802 /nfs/dbraw/zinc/52/48/02/592524802.db2.gz SNOHKBKWVYQFLS-ZDUSSCGKSA-N 1 0 223.316 1.216 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H]2COCC2(C)C)C1 ZINC000313071234 634444992 /nfs/dbraw/zinc/44/49/92/634444992.db2.gz FFMLCQXLHSNYRO-GHMZBOCLSA-N 1 0 212.337 1.095 10 0 BDAERO [NH3+]CC[C@H]1CCN(c2ncnc3ccsc32)C1 ZINC000125463525 634509273 /nfs/dbraw/zinc/50/92/73/634509273.db2.gz NSIIHWHFVBFJRE-VIFPVBQESA-N 1 0 248.355 1.866 10 0 BDAERO [NH3+][C@@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 ZINC000399718989 635453254 /nfs/dbraw/zinc/45/32/54/635453254.db2.gz DGHIZVKGQDKHJR-GHMZBOCLSA-N 1 0 207.277 1.082 10 0 BDAERO C[C@H]1CN(CCC[NH2+]C2CC2)CCS1 ZINC000123522581 635514244 /nfs/dbraw/zinc/51/42/44/635514244.db2.gz LUEBNQOQUIJTOT-JTQLQIEISA-N 1 0 214.378 1.566 10 0 BDAERO CCCOc1ccnc(N2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000233252581 635527318 /nfs/dbraw/zinc/52/73/18/635527318.db2.gz FEYHAOPRBPZBEU-ZJUUUORDSA-N 1 0 236.319 1.049 10 0 BDAERO CCOCC[N@@H+]1CCN(C/C=C\Cl)C[C@@H]1C ZINC000255336048 631286954 /nfs/dbraw/zinc/28/69/54/631286954.db2.gz XKOCKOUOXSSMSC-RXNFCKPNSA-N 1 0 246.782 1.782 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@@H]2CCCO2)no1 ZINC000083710473 631427038 /nfs/dbraw/zinc/42/70/38/631427038.db2.gz BKFPFDUFXLICSF-HLTSFMKQSA-N 1 0 223.276 1.244 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000235272587 631481897 /nfs/dbraw/zinc/48/18/97/631481897.db2.gz PQHKQPFWYVGYTM-LURQLKTLSA-N 1 0 207.277 1.516 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc(C)cc2F)n1 ZINC000094921510 631582402 /nfs/dbraw/zinc/58/24/02/631582402.db2.gz QQTIFYCKDXPRLG-UHFFFAOYSA-N 1 0 235.262 1.946 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCCCF)C[C@H]1C ZINC000308823876 631676103 /nfs/dbraw/zinc/67/61/03/631676103.db2.gz RNBXEVIUJBVXQT-ZJUUUORDSA-N 1 0 217.284 1.477 10 0 BDAERO CCc1nc(CC[NH2+][C@H]2CC[C@@H]2C)no1 ZINC000309028368 631809380 /nfs/dbraw/zinc/80/93/80/631809380.db2.gz CDUWNMXPYHFZPB-IUCAKERBSA-N 1 0 209.293 1.563 10 0 BDAERO CS[C@@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000235056869 631912133 /nfs/dbraw/zinc/91/21/33/631912133.db2.gz SOKUXUHDPWWZFM-HBNTYKKESA-N 1 0 242.388 1.386 10 0 BDAERO C[NH2+]CCc1noc(Cc2cccc(OC)c2)n1 ZINC000051850835 631965409 /nfs/dbraw/zinc/96/54/09/631965409.db2.gz DQKMFUIIXPGEPM-UHFFFAOYSA-N 1 0 247.298 1.431 10 0 BDAERO Cc1ccc(F)c(-c2cnn(CC[NH3+])c2)c1 ZINC000309439490 632047367 /nfs/dbraw/zinc/04/73/67/632047367.db2.gz NPJPUKCOULCMJE-UHFFFAOYSA-N 1 0 219.263 1.956 10 0 BDAERO Cc1nc([C@@H](C)[NH2+]CCC2OCCO2)cs1 ZINC000309459820 632100092 /nfs/dbraw/zinc/10/00/92/632100092.db2.gz OLWWPTBKOADEFR-MRVPVSSYSA-N 1 0 242.344 1.865 10 0 BDAERO OCC[C@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000161625828 632108099 /nfs/dbraw/zinc/10/80/99/632108099.db2.gz PZPILDFJMJSJBJ-GFCCVEGCSA-N 1 0 227.348 1.386 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2cc(NC)ncn2)C1 ZINC000130906394 632450261 /nfs/dbraw/zinc/45/02/61/632450261.db2.gz ZJSJYFTZJMJWMK-SNVBAGLBSA-N 1 0 235.335 1.415 10 0 BDAERO COc1ncccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136348476 632552257 /nfs/dbraw/zinc/55/22/57/632552257.db2.gz QDDIXUOEQWKOOK-VIFPVBQESA-N 1 0 237.303 1.402 10 0 BDAERO C[C@@H]1C[C@H]1c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000235271885 632599763 /nfs/dbraw/zinc/59/97/63/632599763.db2.gz PQHKQPFWYVGYTM-FNCVBFRFSA-N 1 0 207.277 1.516 10 0 BDAERO O=C(/C=C\c1cccs1)NC[C@@H]1CC[NH2+]C1 ZINC000309051719 632626725 /nfs/dbraw/zinc/62/67/25/632626725.db2.gz YIPSGYLEOHGYCD-UMBAGQNISA-N 1 0 236.340 1.487 10 0 BDAERO O=C(/C=C\c1ccco1)NC[C@@H]1CC[NH2+]C1 ZINC000309051173 632631300 /nfs/dbraw/zinc/63/13/00/632631300.db2.gz AAQNZVREKVZNJC-UMBAGQNISA-N 1 0 220.272 1.019 10 0 BDAERO C[C@H](Cc1nc([C@@H](C)C[NH3+])no1)C1CC1 ZINC000309759247 632666172 /nfs/dbraw/zinc/66/61/72/632666172.db2.gz IHYMLVDSOCCRMT-SFYZADRCSA-N 1 0 209.293 1.720 10 0 BDAERO C[C@@H]1CN(Cc2cccc(Cl)n2)C[C@@H]1[NH3+] ZINC000235370109 632679035 /nfs/dbraw/zinc/67/90/35/632679035.db2.gz CXPJFBLFLDXGBR-SCZZXKLOSA-N 1 0 225.723 1.514 10 0 BDAERO C[S@@](=O)C1(C[NH2+]CCc2ccccc2)CC1 ZINC000309907015 632679197 /nfs/dbraw/zinc/67/91/97/632679197.db2.gz KVNUCVMGRXVLMC-MRXNPFEDSA-N 1 0 237.368 1.730 10 0 BDAERO C[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000235418591 632718750 /nfs/dbraw/zinc/71/87/50/632718750.db2.gz DALCCXVIANOVJC-UTUOFQBUSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@@H]([NH3+])CC2CC2)o1 ZINC000310478921 632744969 /nfs/dbraw/zinc/74/49/69/632744969.db2.gz CKRDQCDEEKOBTE-WPRPVWTQSA-N 1 0 237.303 1.288 10 0 BDAERO COCc1nc(C[NH2+][C@@H](C)C[C@H](C)O)cs1 ZINC000309835409 632854529 /nfs/dbraw/zinc/85/45/29/632854529.db2.gz AUMCQPIKFGGZPD-IUCAKERBSA-N 1 0 244.360 1.539 10 0 BDAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000310845514 633010397 /nfs/dbraw/zinc/01/03/97/633010397.db2.gz LKPMMBRSSNKVNJ-CLLJXQQHSA-N 1 0 248.370 1.635 10 0 BDAERO c1cc(-c2noc(CC[C@H]3CCC[NH2+]3)n2)ncn1 ZINC000311100008 633067977 /nfs/dbraw/zinc/06/79/77/633067977.db2.gz PNTRJYIFCSLURM-SECBINFHSA-N 1 0 245.286 1.211 10 0 BDAERO CC[N@H+]1C[C@H](Nc2cccc(F)n2)[C@@H](C)C1 ZINC000309461628 633095152 /nfs/dbraw/zinc/09/51/52/633095152.db2.gz OCAQXRMPKZDQGO-UWVGGRQHSA-N 1 0 223.295 1.973 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000166589234 633117043 /nfs/dbraw/zinc/11/70/43/633117043.db2.gz CHFKVMNETSUOJD-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccccc1F ZINC000166536875 633117219 /nfs/dbraw/zinc/11/72/19/633117219.db2.gz CEYHBABYDYDRGP-QWRGUYRKSA-N 1 0 237.274 1.692 10 0 BDAERO CC[C@@H]1C[C@H](C[NH2+]C2CC(OC)C2)CCO1 ZINC000309620996 633213419 /nfs/dbraw/zinc/21/34/19/633213419.db2.gz DICPCSXGSUKABO-CQLXCSJHSA-N 1 0 227.348 1.959 10 0 BDAERO COC1CC([NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000308253395 633221520 /nfs/dbraw/zinc/22/15/20/633221520.db2.gz HEMQLPZBUIWXAJ-QLEHZGMVSA-N 1 0 201.335 1.647 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1cncs1 ZINC000307060599 635980197 /nfs/dbraw/zinc/98/01/97/635980197.db2.gz JWBFJLDIMUOLQO-YUMQZZPRSA-N 1 0 215.297 1.014 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Br)nn1C ZINC000307468541 635989124 /nfs/dbraw/zinc/98/91/24/635989124.db2.gz MIOOFGSDPUMLME-POYBYMJQSA-N 1 0 244.136 1.681 10 0 BDAERO CC(C)(CO)[NH2+]CCCOCC(F)(F)F ZINC000049312307 636057907 /nfs/dbraw/zinc/05/79/07/636057907.db2.gz OTGSWNDHFWNUSW-UHFFFAOYSA-N 1 0 229.242 1.316 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](CCCSC)C[C@@H]1C ZINC000228273969 633919132 /nfs/dbraw/zinc/91/91/32/633919132.db2.gz QQIUHOMYNXGNAM-VHSXEESVSA-N 1 0 231.361 1.480 10 0 BDAERO Cn1ncc(C[NH2+][C@@H]2CCC[C@H]2CCF)n1 ZINC000309524396 633944812 /nfs/dbraw/zinc/94/48/12/633944812.db2.gz APEAEHMLNFZBQZ-GXSJLCMTSA-N 1 0 226.299 1.433 10 0 BDAERO N[C@H]1C[NH2+]C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000396831676 634097254 /nfs/dbraw/zinc/09/72/54/634097254.db2.gz UKXSRKLWZMOXFU-ZJUUUORDSA-N 1 0 230.233 1.720 10 0 BDAERO Fc1cccc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000162435323 634149025 /nfs/dbraw/zinc/14/90/25/634149025.db2.gz DCHSDOQEUFYJIC-SECBINFHSA-N 1 0 209.268 1.632 10 0 BDAERO CC[S@@](=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162552155 634190219 /nfs/dbraw/zinc/19/02/19/634190219.db2.gz IAUCGXDXNIISDZ-BBKSZCTCSA-N 1 0 245.388 1.158 10 0 BDAERO CC[S@@](=O)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162552394 634190325 /nfs/dbraw/zinc/19/03/25/634190325.db2.gz IAUCGXDXNIISDZ-YPIXOSSWSA-N 1 0 245.388 1.158 10 0 BDAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)c1 ZINC000308972047 635133392 /nfs/dbraw/zinc/13/33/92/635133392.db2.gz AELSGAWETUTQFT-GARJFASQSA-N 1 0 208.305 1.810 10 0 BDAERO [NH3+][C@H](CC1CCOCC1)c1ncccn1 ZINC000053820575 635140633 /nfs/dbraw/zinc/14/06/33/635140633.db2.gz GKCIBDOPZIZWLN-SNVBAGLBSA-N 1 0 207.277 1.293 10 0 BDAERO [NH3+]C1CC(C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000258704980 635190771 /nfs/dbraw/zinc/19/07/71/635190771.db2.gz LMJKCMOEXOQEJQ-UHFFFAOYSA-N 1 0 230.311 1.851 10 0 BDAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H](C)O)CS1 ZINC000336691175 635221241 /nfs/dbraw/zinc/22/12/41/635221241.db2.gz PIQIUZFCDPSIDP-RCWTZXSCSA-N 1 0 217.378 1.875 10 0 BDAERO [NH3+]C1(Cc2nc(Cc3ccncc3)no2)CCC1 ZINC000094291934 635276653 /nfs/dbraw/zinc/27/66/53/635276653.db2.gz CPRYOVUXUMPFKD-UHFFFAOYSA-N 1 0 244.298 1.479 10 0 BDAERO OC1CC(C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094374672 635317949 /nfs/dbraw/zinc/31/79/49/635317949.db2.gz MGPVZYZTFWOQQA-OTTFEQOBSA-N 1 0 239.359 1.839 10 0 BDAERO COC[C@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000094648636 635378500 /nfs/dbraw/zinc/37/85/00/635378500.db2.gz YZLBQWCFCZTBOE-SRVKXCTJSA-N 1 0 242.363 1.162 10 0 BDAERO COc1ccc(Cc2nc([C@@H](C)C[NH3+])no2)cc1 ZINC000054158589 635775046 /nfs/dbraw/zinc/77/50/46/635775046.db2.gz CBHBRWASINOSNP-VIFPVBQESA-N 1 0 247.298 1.731 10 0 BDAERO CCn1nc(C[NH2+][C@@H](C)[C@H](C)O)c2ccccc21 ZINC000342195781 636332377 /nfs/dbraw/zinc/33/23/77/636332377.db2.gz GAXPISCHLDNPGF-QWRGUYRKSA-N 1 0 247.342 1.915 10 0 BDAERO Cc1nc([C@]2([NH3+])CCC[C@@H](C)C2)n(C)n1 ZINC000054499175 636742546 /nfs/dbraw/zinc/74/25/46/636742546.db2.gz SWXKHLNKLGOABZ-KCJUWKMLSA-N 1 0 208.309 1.488 10 0 BDAERO CCn1ncnc1CC[C@@H]1CCCC[NH2+]1 ZINC000054498745 636743328 /nfs/dbraw/zinc/74/33/28/636743328.db2.gz SEAWIFGOECGOJE-JTQLQIEISA-N 1 0 208.309 1.373 10 0 BDAERO [NH3+]C[C@@H]1CCc2ccccc2N1C[C@H]1CCCO1 ZINC000250836144 636755138 /nfs/dbraw/zinc/75/51/38/636755138.db2.gz AWYXQXLZQOMHRH-UONOGXRCSA-N 1 0 246.354 1.946 10 0 BDAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237462257 636784835 /nfs/dbraw/zinc/78/48/35/636784835.db2.gz QHPQFGRSHBFWIM-DDHJBXDOSA-N 1 0 240.347 1.140 10 0 BDAERO O=C1CC[C@H](C[NH2+]Cc2cccc(F)c2F)N1 ZINC000079927978 636861709 /nfs/dbraw/zinc/86/17/09/636861709.db2.gz JBBGGZCROJUDAY-SECBINFHSA-N 1 0 240.253 1.333 10 0 BDAERO CCON1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000323128631 636900845 /nfs/dbraw/zinc/90/08/45/636900845.db2.gz PODDPTBZKLWZIV-CHWSQXEVSA-N 1 0 242.363 1.295 10 0 BDAERO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@H](C)O)CC2 ZINC000348314933 639043224 /nfs/dbraw/zinc/04/32/24/639043224.db2.gz HVXATSAWRXNNDO-UHIISALHSA-N 1 0 249.354 1.911 10 0 BDAERO Cn1nc(C2CC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000054698315 640304113 /nfs/dbraw/zinc/30/41/13/640304113.db2.gz KVUHWKJXDGNCEW-SECBINFHSA-N 1 0 206.293 1.160 10 0 BDAERO CC(C)Cc1nc([C@H]2CCCC[NH2+]2)n(C)n1 ZINC000054699027 640319341 /nfs/dbraw/zinc/31/93/41/640319341.db2.gz WNDHZBLADUQURF-SNVBAGLBSA-N 1 0 222.336 1.828 10 0 BDAERO CC[C@H]([NH2+]C)c1nc(C(C)(C)C)nn1C ZINC000054698820 640319659 /nfs/dbraw/zinc/31/96/59/640319659.db2.gz UJZGORMFGVXLIL-QMMMGPOBSA-N 1 0 210.325 1.783 10 0 BDAERO CC(C)Cc1nc([C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000054699005 640319837 /nfs/dbraw/zinc/31/98/37/640319837.db2.gz ONQINCZBIYOUMN-SNVBAGLBSA-N 1 0 222.336 1.481 10 0 BDAERO CC[NH2+]Cc1nc(-c2cccs2)nn1C ZINC000054699881 640321477 /nfs/dbraw/zinc/32/14/77/640321477.db2.gz PRLMOXKQZJOHIH-UHFFFAOYSA-N 1 0 222.317 1.653 10 0 BDAERO [NH3+]CCCn1cc(-c2cccc(O)c2)cn1 ZINC000221670387 640416513 /nfs/dbraw/zinc/41/65/13/640416513.db2.gz CVNKFGAMLZYHJH-UHFFFAOYSA-N 1 0 217.272 1.605 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000055089197 640430846 /nfs/dbraw/zinc/43/08/46/640430846.db2.gz IBPPTUVQWNNSQM-SDDRHHMPSA-N 1 0 240.347 1.189 10 0 BDAERO CCCOc1ccnc(NCC2CC([NH3+])C2)n1 ZINC000164943853 640521086 /nfs/dbraw/zinc/52/10/86/640521086.db2.gz JKTFABLYRMYCKK-UHFFFAOYSA-N 1 0 236.319 1.415 10 0 BDAERO C[NH+]1CCN(c2cncc3cccnc32)CC1 ZINC000223138146 640537534 /nfs/dbraw/zinc/53/75/34/640537534.db2.gz BXWRKLZKYGDGQW-UHFFFAOYSA-N 1 0 228.299 1.382 10 0 BDAERO COCC[C@H](C)[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000225612326 640703989 /nfs/dbraw/zinc/70/39/89/640703989.db2.gz QUGGRGIPDNJDID-CMPLNLGQSA-N 1 0 213.321 1.712 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000227171663 640817037 /nfs/dbraw/zinc/81/70/37/640817037.db2.gz JYPTUFOBVKVQHA-XJFOESAGSA-N 1 0 238.375 1.485 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)nc1 ZINC000227421188 640833144 /nfs/dbraw/zinc/83/31/44/640833144.db2.gz KTFFFDAGNKOMBY-SCZZXKLOSA-N 1 0 237.278 1.534 10 0 BDAERO Cc1nccc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000227644571 640843350 /nfs/dbraw/zinc/84/33/50/640843350.db2.gz IZMNWFXTNNPVGD-ZJUUUORDSA-N 1 0 206.293 1.324 10 0 BDAERO CC(C)C[C@@H](O)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227695669 640846134 /nfs/dbraw/zinc/84/61/34/640846134.db2.gz JFLLADCTFKILNG-DGCLKSJQSA-N 1 0 242.363 1.042 10 0 BDAERO CCCNC(=S)N[C@H]1CCC[N@H+](CC)C1 ZINC000060432102 640860158 /nfs/dbraw/zinc/86/01/58/640860158.db2.gz JLCBZCBNZDOFLM-JTQLQIEISA-N 1 0 229.393 1.345 10 0 BDAERO CC[C@H](C)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228696961 640890233 /nfs/dbraw/zinc/89/02/33/640890233.db2.gz FYTMWDHQWNNKSL-AXFHLTTASA-N 1 0 213.321 1.773 10 0 BDAERO CSCC[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000228946050 640906969 /nfs/dbraw/zinc/90/69/69/640906969.db2.gz MELNIROLNCDERW-ZJUUUORDSA-N 1 0 232.393 1.618 10 0 BDAERO CC(C)(C)SCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000087654827 640957182 /nfs/dbraw/zinc/95/71/82/640957182.db2.gz PYWHRUMKINZCLP-SECBINFHSA-N 1 0 230.377 1.244 10 0 BDAERO CCOc1ccc2c(c1)C[C@@H]([C@@H](C)[NH3+])CO2 ZINC000675064403 640962792 /nfs/dbraw/zinc/96/27/92/640962792.db2.gz ZNHHQXNZIZFYNC-MWLCHTKSSA-N 1 0 221.300 1.984 10 0 BDAERO Cc1nnc([C@@H](C[NH3+])c2ccccc2)n1C ZINC000061609589 640976737 /nfs/dbraw/zinc/97/67/37/640976737.db2.gz IOTSJOIKGDYWLA-NSHDSACASA-N 1 0 216.288 1.214 10 0 BDAERO C[C@@H]1C[NH+](C[Si](C)(C)C)C[C@@H](C)O1 ZINC000171709074 641003444 /nfs/dbraw/zinc/00/34/44/641003444.db2.gz ORFNNZIHDQSQAH-NXEZZACHSA-N 1 0 201.386 1.973 10 0 BDAERO c1ccc(Cc2noc([C@H]3CC[NH2+]C3)n2)nc1 ZINC000062119573 641024443 /nfs/dbraw/zinc/02/44/43/641024443.db2.gz FQRDSJIAVPYLST-VIFPVBQESA-N 1 0 230.271 1.132 10 0 BDAERO CC(C)Cc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084736 641127156 /nfs/dbraw/zinc/12/71/56/641127156.db2.gz KKUICWGTGIMPDC-JTQLQIEISA-N 1 0 223.320 1.810 10 0 BDAERO CC(C)NC(=O)[C@@]1([NH3+])C[C@H]1c1ccccc1 ZINC000238154211 641159368 /nfs/dbraw/zinc/15/93/68/641159368.db2.gz NPNJJXDASPTAMP-WCQYABFASA-N 1 0 218.300 1.396 10 0 BDAERO COc1csc(C(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000088028962 641253191 /nfs/dbraw/zinc/25/31/91/641253191.db2.gz SKCMLGPNWFOVNC-QMMMGPOBSA-N 1 0 240.328 1.096 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCSC ZINC000157692642 641623265 /nfs/dbraw/zinc/62/32/65/641623265.db2.gz SSIKESKLGYLKOY-DTWKUNHWSA-N 1 0 218.366 1.372 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158543851 641639974 /nfs/dbraw/zinc/63/99/74/641639974.db2.gz RHHPMEDVWCEPPA-JSGCOSHPSA-N 1 0 246.354 1.815 10 0 BDAERO CN(C)c1noc(C2CCC([NH3+])CC2)n1 ZINC000159090166 641663944 /nfs/dbraw/zinc/66/39/44/641663944.db2.gz UHUZHBAXFRCFIO-UHFFFAOYSA-N 1 0 210.281 1.121 10 0 BDAERO CCC[C@@H](C)C[N@@H+]1CCOC[C@@H]1CO ZINC000159278258 641674576 /nfs/dbraw/zinc/67/45/76/641674576.db2.gz KBYLGSBWJPBIBB-MNOVXSKESA-N 1 0 201.310 1.116 10 0 BDAERO C[C@H]([NH2+]Cc1ccc(F)nc1)[C@@H]1CCCO1 ZINC000188987728 641781814 /nfs/dbraw/zinc/78/18/14/641781814.db2.gz FIZURGSHMTXLRD-ONGXEEELSA-N 1 0 224.279 1.878 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCCSC(C)(C)C ZINC000153826857 641899873 /nfs/dbraw/zinc/89/98/73/641899873.db2.gz UPOYHIXOZDYTIW-VIFPVBQESA-N 1 0 232.393 1.762 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000078642194 641940518 /nfs/dbraw/zinc/94/05/18/641940518.db2.gz UKYNYUPMMLREKE-HNNXBMFYSA-N 1 0 248.370 1.539 10 0 BDAERO CCN(c1ncnc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071314214 642454802 /nfs/dbraw/zinc/45/48/02/642454802.db2.gz GXBODVVVPSFFSS-LLVKDONJSA-N 1 0 242.326 1.818 10 0 BDAERO CC[C@@H]1CCC[C@](C[NH3+])(OCCO)C1 ZINC000233917060 642706532 /nfs/dbraw/zinc/70/65/32/642706532.db2.gz XDTNONFAISEEDP-MNOVXSKESA-N 1 0 201.310 1.293 10 0 BDAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCF ZINC000306198053 642731591 /nfs/dbraw/zinc/73/15/91/642731591.db2.gz UJHYSTIKYKMAGY-GHMZBOCLSA-N 1 0 200.301 1.515 10 0 BDAERO Cc1nnc(N(C)CC(C)(C)[NH3+])s1 ZINC000642858350 642883232 /nfs/dbraw/zinc/88/32/32/642883232.db2.gz XNWKZIPSGXNMEM-UHFFFAOYSA-N 1 0 200.311 1.020 10 0 BDAERO Cc1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)no1 ZINC000090254626 643084580 /nfs/dbraw/zinc/08/45/80/643084580.db2.gz LSZZGLDIVVACJO-VIFPVBQESA-N 1 0 248.286 1.575 10 0 BDAERO CCCCOC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183132734 643090127 /nfs/dbraw/zinc/09/01/27/643090127.db2.gz VCSHNMCLGLVWIZ-NEPJUHHUSA-N 1 0 243.347 1.877 10 0 BDAERO CCN(c1cc(C(C)C)ncn1)[C@@H]1CC[NH2+]C1 ZINC000071314132 643123792 /nfs/dbraw/zinc/12/37/92/643123792.db2.gz HEUNOWRPGVUJEE-LLVKDONJSA-N 1 0 234.347 1.788 10 0 BDAERO CCCCCC[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183679470 643156116 /nfs/dbraw/zinc/15/61/16/643156116.db2.gz LMVYPJJSOAXTMG-LLVKDONJSA-N 1 0 214.353 1.927 10 0 BDAERO Cc1nnc(N2C[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000306948939 643299576 /nfs/dbraw/zinc/29/95/76/643299576.db2.gz AIHOUKXGCZWCLR-SSDOTTSWSA-N 1 0 212.322 1.020 10 0 BDAERO CC1(C)C[C@]2(CO1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757141935 643303829 /nfs/dbraw/zinc/30/38/29/643303829.db2.gz ASBYEVPLVMPTNN-JQWIXIFHSA-N 1 0 211.305 1.528 10 0 BDAERO CC[C@@H]1CC[NH2+][C@]2(CCCSC2)O1 ZINC000757149114 643333990 /nfs/dbraw/zinc/33/39/90/643333990.db2.gz WRXDSGDCNYRPRA-NXEZZACHSA-N 1 0 201.335 1.998 10 0 BDAERO CC[C@H](C)c1noc(CC[NH2+]C2CC2)n1 ZINC000082561133 643342851 /nfs/dbraw/zinc/34/28/51/643342851.db2.gz PZFPWLYFHDILCT-QMMMGPOBSA-N 1 0 209.293 1.878 10 0 BDAERO CCC1(C)CCN(S(=O)(=O)C[C@@H](C)[NH3+])CC1 ZINC000757154085 643346940 /nfs/dbraw/zinc/34/69/40/643346940.db2.gz VPVVREMHUSITOC-SNVBAGLBSA-N 1 0 248.392 1.176 10 0 BDAERO Cc1cc2c(ncnc2N(C)C[C@@H](C)[NH3+])s1 ZINC000082592440 643350769 /nfs/dbraw/zinc/35/07/69/643350769.db2.gz YSHXQEVFQDMDQN-SSDOTTSWSA-N 1 0 236.344 1.783 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ccc(C(F)(F)F)cn1 ZINC000082592451 643351982 /nfs/dbraw/zinc/35/19/82/643351982.db2.gz IAFGUVZQTQBENU-ZETCQYMHSA-N 1 0 233.237 1.884 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccncc1F ZINC000757191139 643362489 /nfs/dbraw/zinc/36/24/89/643362489.db2.gz RWKVXQGBICELOM-UWVGGRQHSA-N 1 0 238.262 1.087 10 0 BDAERO C[C@@H]1C[C@H]([C@@H]2C[C@H](C(=O)[O-])C[C@H](C)[NH2+]2)CC[NH2+]1 ZINC000757238190 643373797 /nfs/dbraw/zinc/37/37/97/643373797.db2.gz RRWMYPUHEHMEJT-ROHXPCBUSA-N 1 0 240.347 1.216 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1cccc(F)n1 ZINC000083345839 643435489 /nfs/dbraw/zinc/43/54/89/643435489.db2.gz SZGAQBGMEKHJEU-DTWKUNHWSA-N 1 0 209.268 1.407 10 0 BDAERO CC[C@](CCCn1ccnc1)([NH2+]C)C(=O)[O-] ZINC000234082928 643451649 /nfs/dbraw/zinc/45/16/49/643451649.db2.gz NBSPJTGIRLHYSB-LLVKDONJSA-N 1 0 225.292 1.116 10 0 BDAERO CSCCc1nc([C@H](C)C[NH3+])no1 ZINC000070005029 643454431 /nfs/dbraw/zinc/45/44/31/643454431.db2.gz HBEFXZLTATWYLP-ZCFIWIBFSA-N 1 0 201.295 1.037 10 0 BDAERO COc1ccc(-c2cnn(CC[NH3+])c2)c(OC)c1 ZINC000049835338 643475751 /nfs/dbraw/zinc/47/57/51/643475751.db2.gz LVXCTRIVXSACLJ-UHFFFAOYSA-N 1 0 247.298 1.526 10 0 BDAERO Cc1nsc(NCCCCCC[NH3+])n1 ZINC000235817529 643504777 /nfs/dbraw/zinc/50/47/77/643504777.db2.gz AFNZRLORYDIFTQ-UHFFFAOYSA-N 1 0 214.338 1.778 10 0 BDAERO Cc1cc(N[C@@H](C)[C@@H]2CCCO2)nc(N)[nH+]1 ZINC000046015521 643566599 /nfs/dbraw/zinc/56/65/99/643566599.db2.gz OVAHJXWHKCNNEX-IUCAKERBSA-N 1 0 222.292 1.347 10 0 BDAERO C[C@@H](C[NH3+])c1noc(CC[C@@H]2CCCO2)n1 ZINC000083525236 643583793 /nfs/dbraw/zinc/58/37/93/643583793.db2.gz VICWIAOECWVADB-IUCAKERBSA-N 1 0 225.292 1.243 10 0 BDAERO C[C@@H](C[NH3+])c1noc(CC[C@H]2CCCO2)n1 ZINC000083525238 643584401 /nfs/dbraw/zinc/58/44/01/643584401.db2.gz VICWIAOECWVADB-DTWKUNHWSA-N 1 0 225.292 1.243 10 0 BDAERO C1C[C@H](c2nc([C@@H]3CCCOC3)no2)C[NH2+]1 ZINC000083720310 643620538 /nfs/dbraw/zinc/62/05/38/643620538.db2.gz SZIZKPAQCUSMPP-DTWKUNHWSA-N 1 0 223.276 1.041 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])[C@@H](OC)CC2 ZINC000086119294 643629954 /nfs/dbraw/zinc/62/99/54/643629954.db2.gz GLKZLMXELQFUOC-RYUDHWBXSA-N 1 0 207.273 1.656 10 0 BDAERO CC(C)N(C)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301423 643657988 /nfs/dbraw/zinc/65/79/88/643657988.db2.gz RYXWOLVDPMNVCI-QWRGUYRKSA-N 1 0 212.337 1.618 10 0 BDAERO CC(C)Cc1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000085007808 643677681 /nfs/dbraw/zinc/67/76/81/643677681.db2.gz NFSWYVULZJXHHS-DTWKUNHWSA-N 1 0 209.293 1.863 10 0 BDAERO CC[C@@H](C)c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000085610420 643763409 /nfs/dbraw/zinc/76/34/09/643763409.db2.gz JKFXAQXJMFCHGJ-RKDXNWHRSA-N 1 0 241.360 1.831 10 0 BDAERO C/C=C/C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000082303974 644364855 /nfs/dbraw/zinc/36/48/55/644364855.db2.gz CAQKDWHIXDRDPR-XGQHYKRYSA-N 1 0 208.305 1.259 10 0 BDAERO c1coc(-c2nc(C[C@H]3CCC[NH2+]3)no2)c1 ZINC000083303356 644404141 /nfs/dbraw/zinc/40/41/41/644404141.db2.gz PXEHRDXFDGNJDY-MRVPVSSYSA-N 1 0 219.244 1.624 10 0 BDAERO Cc1nc(C[NH2+]CC2CC(O)C2)sc1C ZINC000087376333 644491904 /nfs/dbraw/zinc/49/19/04/644491904.db2.gz UZACSJSUPWNLMU-UHFFFAOYSA-N 1 0 226.345 1.620 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000685946288 644518176 /nfs/dbraw/zinc/51/81/76/644518176.db2.gz NCZNFOVODVZZLY-RYUDHWBXSA-N 1 0 208.280 1.620 10 0 BDAERO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1C[C@H]1CO ZINC000382331664 644535567 /nfs/dbraw/zinc/53/55/67/644535567.db2.gz WQVLWTJKNGGBTI-ZMLRMANQSA-N 1 0 213.321 1.162 10 0 BDAERO Cn1nccc1NC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089397058 644548362 /nfs/dbraw/zinc/54/83/62/644548362.db2.gz SYFDQTXTNMGCOV-ZJUUUORDSA-N 1 0 236.319 1.124 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000089430648 644550332 /nfs/dbraw/zinc/55/03/32/644550332.db2.gz VVYGCCHAUQWKJH-VHSXEESVSA-N 1 0 244.298 1.974 10 0 BDAERO Clc1cnn(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247156302 644623958 /nfs/dbraw/zinc/62/39/58/644623958.db2.gz SIFJFDQHGRZODC-NSHDSACASA-N 1 0 240.738 1.274 10 0 BDAERO CC(C)Oc1cncc(NCC2CC([NH3+])C2)n1 ZINC000091525799 644628891 /nfs/dbraw/zinc/62/88/91/644628891.db2.gz FSXCXIDJYHVIJU-UHFFFAOYSA-N 1 0 236.319 1.413 10 0 BDAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1O ZINC000250799250 644780454 /nfs/dbraw/zinc/78/04/54/644780454.db2.gz BRXAYIHHNSEDOI-SGMGOOAPSA-N 1 0 249.358 1.691 10 0 BDAERO C[C@H](O)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000250902631 644786058 /nfs/dbraw/zinc/78/60/58/644786058.db2.gz OSMBMEREFTWCLZ-AAEUAGOBSA-N 1 0 247.342 1.419 10 0 BDAERO C[C@@H]1C[C@@H]1c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000252131890 644836440 /nfs/dbraw/zinc/83/64/40/644836440.db2.gz MCLATGKPUBCITE-BBBLOLIVSA-N 1 0 221.304 1.735 10 0 BDAERO CC(C)Cc1nc(C[C@H]2CCC[NH2+]2)no1 ZINC000096892443 644847471 /nfs/dbraw/zinc/84/74/71/644847471.db2.gz JQQRFPJAILSBMG-SECBINFHSA-N 1 0 209.293 1.563 10 0 BDAERO C/C=C/C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661745 644873868 /nfs/dbraw/zinc/87/38/68/644873868.db2.gz OVIJQMMWDYFWMY-ZBWCZXCSSA-N 1 0 222.332 1.648 10 0 BDAERO O=S1(=O)CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000304583565 644920002 /nfs/dbraw/zinc/92/00/02/644920002.db2.gz OLDSYINXKMSJDG-MVWJERBFSA-N 1 0 243.372 1.342 10 0 BDAERO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253103208 644936713 /nfs/dbraw/zinc/93/67/13/644936713.db2.gz ROLZZANBHVVKSO-RCZSTQMZSA-N 1 0 222.332 1.275 10 0 BDAERO Cc1nc(N2CC[N@@H+]3CCCC[C@H]3C2)cc(=O)[nH]1 ZINC000253102515 644937198 /nfs/dbraw/zinc/93/71/98/644937198.db2.gz RFNOHEIEANPINN-NSHDSACASA-N 1 0 248.330 1.165 10 0 BDAERO CCc1ccccc1[C@@H]1CC[NH2+]C[C@@H]1N ZINC000669384790 711790234 /nfs/dbraw/zinc/79/02/34/711790234.db2.gz GJKUXNJHBZCHMH-STQMWFEESA-N 1 0 204.317 1.653 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cccc(Cl)n1 ZINC000701101884 711856610 /nfs/dbraw/zinc/85/66/10/711856610.db2.gz OTWSTRKVUYPRPQ-HTQZYQBOSA-N 1 0 239.706 1.297 10 0 BDAERO CCCCSCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000701009614 712011549 /nfs/dbraw/zinc/01/15/49/712011549.db2.gz ZDIOZKCNWYGJCX-NXEZZACHSA-N 1 0 230.377 1.325 10 0 BDAERO COC1CC(C[N@@H+]2CCNC[C@H]2C(C)C)C1 ZINC000705503112 712132167 /nfs/dbraw/zinc/13/21/67/712132167.db2.gz VFLKVVQIIFCLRQ-BPCQOVAHSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@H]1CC[C@H](NC(=O)NCC2CC([NH3+])C2)CC1 ZINC000705705153 712134314 /nfs/dbraw/zinc/13/43/14/712134314.db2.gz BOPBFYSOJUPCTG-ICDREFFPSA-N 1 0 239.363 1.602 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000378842859 712362396 /nfs/dbraw/zinc/36/23/96/712362396.db2.gz YYNVJKUXJTXKBH-VXNVDRBHSA-N 1 0 229.711 1.341 10 0 BDAERO C[C@@H]([NH2+]Cc1cnn(C)c1Cl)[C@@H]1CCCO1 ZINC000378862283 712364097 /nfs/dbraw/zinc/36/40/97/712364097.db2.gz SPKVIVKSBIRXBP-SCZZXKLOSA-N 1 0 243.738 1.731 10 0 BDAERO C=C/C=C/CC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000713743998 712471500 /nfs/dbraw/zinc/47/15/00/712471500.db2.gz HQSFQRPNOAJTLS-CYLBZQBVSA-N 1 0 223.316 1.860 10 0 BDAERO COC[C@@H]([NH2+]C1CC(COC)C1)C1CC1 ZINC000714009829 712477322 /nfs/dbraw/zinc/47/73/22/712477322.db2.gz QUMMQNLLMYCXOE-QEWOUOOISA-N 1 0 213.321 1.426 10 0 BDAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000714479588 712491955 /nfs/dbraw/zinc/49/19/55/712491955.db2.gz 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ZINC000724459914 710741141 /nfs/dbraw/zinc/74/11/41/710741141.db2.gz DUUPYSMGIHOGGU-JGPRNRPPSA-N 1 0 227.352 1.714 10 0 BDAERO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1(O)CCC1 ZINC000717439917 711490768 /nfs/dbraw/zinc/49/07/68/711490768.db2.gz IBVOCMHLDFDDNE-NWDGAFQWSA-N 1 0 224.348 1.070 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)C[C@@H]1C ZINC000722904856 711492200 /nfs/dbraw/zinc/49/22/00/711492200.db2.gz KYHXMIFCBCNRJZ-XWLWVQCSSA-N 1 0 211.305 1.383 10 0 BDAERO [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000722979755 711493799 /nfs/dbraw/zinc/49/37/99/711493799.db2.gz QAWJRNPEAQSFKR-KMXFUREMSA-N 1 0 234.343 1.515 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncnc2ccsc21 ZINC000723787757 711537379 /nfs/dbraw/zinc/53/73/79/711537379.db2.gz BIFCOBBCYJLMGB-BDAKNGLRSA-N 1 0 248.355 1.959 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CNc1cn[nH]c(=O)c1Cl ZINC000723827337 711537613 /nfs/dbraw/zinc/53/76/13/711537613.db2.gz YGTQBZAVLYXBNS-RQJHMYQMSA-N 1 0 242.710 1.103 10 0 BDAERO C[C@@H]1CN(c2nc3ccccc3[nH]2)C[C@H]1CC[NH3+] ZINC000723901581 711543706 /nfs/dbraw/zinc/54/37/06/711543706.db2.gz RGFHTHYVOQLUEZ-GHMZBOCLSA-N 1 0 244.342 1.984 10 0 BDAERO Cc1ccnc(N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723887948 711543748 /nfs/dbraw/zinc/54/37/48/711543748.db2.gz ZTLXUYJPXGFTNH-MWLCHTKSSA-N 1 0 220.320 1.206 10 0 BDAERO CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000724192822 711568311 /nfs/dbraw/zinc/56/83/11/711568311.db2.gz MWYHFZNODNEVBZ-QNWHQSFQSA-N 1 0 227.348 1.647 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2cnccn2)C[C@H](C)O1 ZINC000724307185 711573892 /nfs/dbraw/zinc/57/38/92/711573892.db2.gz FNUYFGITYAKXGT-QWRGUYRKSA-N 1 0 235.331 1.770 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCN1CCCC1 ZINC000052762777 711636876 /nfs/dbraw/zinc/63/68/76/711636876.db2.gz DJKNJKVSVJDOEP-CYBMUJFWSA-N 1 0 226.364 1.319 10 0 BDAERO Cc1ccnc(N(C)C2(C[NH3+])CCOCC2)c1 ZINC000725020341 711643681 /nfs/dbraw/zinc/64/36/81/711643681.db2.gz CFLMONVBACKAIC-UHFFFAOYSA-N 1 0 235.331 1.334 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@@H]2C[C@H](C)CO2)n1 ZINC000718425047 711657415 /nfs/dbraw/zinc/65/74/15/711657415.db2.gz FBICHUNWKFPKFL-FXQIFTODSA-N 1 0 211.265 1.229 10 0 BDAERO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)CCO1 ZINC000721624411 711671540 /nfs/dbraw/zinc/67/15/40/711671540.db2.gz WDRWCKDOKRPUDV-PYNQCMFNSA-N 1 0 241.375 1.941 10 0 BDAERO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)CCO1 ZINC000721624405 711671673 /nfs/dbraw/zinc/67/16/73/711671673.db2.gz WDRWCKDOKRPUDV-KPFVRQRISA-N 1 0 241.375 1.941 10 0 BDAERO Nc1ccc([C@@H]2CCNc3[nH+]ccn32)cc1 ZINC000236394040 711761789 /nfs/dbraw/zinc/76/17/89/711761789.db2.gz QFQGYWYJWWGFCI-NSHDSACASA-N 1 0 214.272 1.870 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cccnc1F ZINC000701094255 712015106 /nfs/dbraw/zinc/01/51/06/712015106.db2.gz MBKFPPNJJUCNFU-WCBMZHEXSA-N 1 0 237.278 1.078 10 0 BDAERO CC(C)(C)c1ccnc(NCC23CC(C2)C[NH2+]3)n1 ZINC000701867347 712030705 /nfs/dbraw/zinc/03/07/05/712030705.db2.gz KQXCHLVMBUCFOF-UHFFFAOYSA-N 1 0 246.358 1.938 10 0 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1.081 10 0 BDAERO CC/C=C(/C)C(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708964469 712204302 /nfs/dbraw/zinc/20/43/02/712204302.db2.gz URJNILKWSNOGAQ-LGFRJGPESA-N 1 0 240.347 1.307 10 0 BDAERO CO[C@H]1C[C@@H](CN2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000709069816 712207814 /nfs/dbraw/zinc/20/78/14/712207814.db2.gz CIRGSMUAUUZUEO-MELADBBJSA-N 1 0 238.375 1.582 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@H]1COc2ccccc21 ZINC000709356857 712220264 /nfs/dbraw/zinc/22/02/64/712220264.db2.gz OZJZYCCORFKGHD-MNOVXSKESA-N 1 0 234.299 1.234 10 0 BDAERO CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CO ZINC000711112683 712281300 /nfs/dbraw/zinc/28/13/00/712281300.db2.gz VWQQGULMWDACNG-NDBYEHHHSA-N 1 0 227.348 1.552 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C1CC1 ZINC000711752014 712325017 /nfs/dbraw/zinc/32/50/17/712325017.db2.gz MPBZQOLZNLVJMM-WCQYABFASA-N 1 0 249.358 1.859 10 0 BDAERO OC[C@@H]([NH2+]CCOC1CC1)c1ccccc1 ZINC000711785972 712330136 /nfs/dbraw/zinc/33/01/36/712330136.db2.gz MAFBRCCPTJOTOJ-CYBMUJFWSA-N 1 0 221.300 1.489 10 0 BDAERO [NH3+]C[C@H]1CCCN1Cc1nccn1C1CC1 ZINC000711799672 712331576 /nfs/dbraw/zinc/33/15/76/712331576.db2.gz KQKNYRIKWFNGIR-LLVKDONJSA-N 1 0 220.320 1.141 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000711948178 712339607 /nfs/dbraw/zinc/33/96/07/712339607.db2.gz JLSGVVXKJAPGPQ-LPTSXCQYSA-N 1 0 236.359 1.679 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000711944273 712340025 /nfs/dbraw/zinc/34/00/25/712340025.db2.gz UYWRKAUUYKVPCV-AVGNSLFASA-N 1 0 236.359 1.762 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000378669520 712356688 /nfs/dbraw/zinc/35/66/88/712356688.db2.gz IXWCSAXSRCBFRF-WDEREUQCSA-N 1 0 223.320 1.359 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)C[C@H]1CO ZINC000712525839 712441170 /nfs/dbraw/zinc/44/11/70/712441170.db2.gz VHSCHMFEAOWAFK-AGIUHOORSA-N 1 0 239.359 1.648 10 0 BDAERO C=C/C=C\CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000713643128 712467952 /nfs/dbraw/zinc/46/79/52/712467952.db2.gz 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712496865 /nfs/dbraw/zinc/49/68/65/712496865.db2.gz PZHAVYYEAFDEST-AVGNSLFASA-N 1 0 245.363 1.179 10 0 BDAERO NC[C@@H]1CCC[N@@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000714783407 712498489 /nfs/dbraw/zinc/49/84/89/712498489.db2.gz SHZZMFDMTHAGRQ-AGIUHOORSA-N 1 0 208.349 1.846 10 0 BDAERO Cc1cc2c(NC[C@H]3C[C@@H]([NH3+])C3)nccn2n1 ZINC000715067260 712505518 /nfs/dbraw/zinc/50/55/18/712505518.db2.gz LZZHERSICAEFBJ-AOOOYVTPSA-N 1 0 231.303 1.187 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ncnc3ccccc32)C1 ZINC000715068052 712505858 /nfs/dbraw/zinc/50/58/58/712505858.db2.gz SLETYWYCXMPZLI-AOOOYVTPSA-N 1 0 228.299 1.779 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ncnc3ccsc32)C1 ZINC000715082078 712506970 /nfs/dbraw/zinc/50/69/70/712506970.db2.gz NWKDMTHIRIAPDD-ZKCHVHJHSA-N 1 0 234.328 1.841 10 0 BDAERO Cc1cscc1C(=O)NCC1CC([NH3+])C1 ZINC000715081688 712506998 /nfs/dbraw/zinc/50/69/98/712506998.db2.gz KZQMCSOGNKWHOC-UHFFFAOYSA-N 1 0 224.329 1.524 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2cnc3ccccc3n2)C1 ZINC000715085215 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712549210 /nfs/dbraw/zinc/54/92/10/712549210.db2.gz RYAVWKAALTZLOZ-ILDUYXDCSA-N 1 0 233.377 1.586 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000716457729 712562563 /nfs/dbraw/zinc/56/25/63/712562563.db2.gz AVBACQRICGJVAL-LLNNUEBPSA-N 1 0 248.370 1.678 10 0 BDAERO COC1CC([NH2+]Cc2[nH]nc(C)c2C)C1 ZINC000716480922 712565458 /nfs/dbraw/zinc/56/54/58/712565458.db2.gz CSWPRAXEBBJHGX-UHFFFAOYSA-N 1 0 209.293 1.294 10 0 BDAERO CCC[C@@H]([NH2+]C1CC(C(N)=O)C1)C1CCC1 ZINC000716682244 712569770 /nfs/dbraw/zinc/56/97/70/712569770.db2.gz ANLSZOUUDLPGBG-HTAVTVPLSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1cncc(F)c1 ZINC000716681114 712569862 /nfs/dbraw/zinc/56/98/62/712569862.db2.gz YJLAPSZOJQMQAS-OBEAGUGNSA-N 1 0 237.278 1.135 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2ccc(F)cc2F)C1 ZINC000716682283 712569881 /nfs/dbraw/zinc/56/98/81/712569881.db2.gz BJFZTCAUJLGMCS-UHFFFAOYSA-N 1 0 240.253 1.318 10 0 BDAERO C[C@@H](Cc1cccs1)[NH2+]C1CC(C(N)=O)C1 ZINC000716706250 712570488 /nfs/dbraw/zinc/57/04/88/712570488.db2.gz NRJHWHFBKFSUOG-IDKOKCKLSA-N 1 0 238.356 1.533 10 0 BDAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CC1(C)C ZINC000716715563 712570684 /nfs/dbraw/zinc/57/06/84/712570684.db2.gz IBUHIFLIXXVVLK-TVUZUIDESA-N 1 0 224.348 1.665 10 0 BDAERO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC(C(N)=O)C1 ZINC000716729782 712571093 /nfs/dbraw/zinc/57/10/93/712571093.db2.gz AQBQFOUOOIYGGR-OIKLOGQESA-N 1 0 248.326 1.177 10 0 BDAERO CCOc1cccc(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716729823 712571200 /nfs/dbraw/zinc/57/12/00/712571200.db2.gz BUHHBZHJKUXFAY-UHFFFAOYSA-N 1 0 248.326 1.439 10 0 BDAERO CC[C@H](Cc1ccccc1)[NH2+]C1CC(C(N)=O)C1 ZINC000716724279 712571346 /nfs/dbraw/zinc/57/13/46/712571346.db2.gz UUMFLZURFLZJEL-ROKHWSDSSA-N 1 0 246.354 1.861 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716739932 712571506 /nfs/dbraw/zinc/57/15/06/712571506.db2.gz HEFUPICWKWOFBC-VKAADOFISA-N 1 0 210.321 1.419 10 0 BDAERO C[C@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716739936 712571705 /nfs/dbraw/zinc/57/17/05/712571705.db2.gz HEFUPICWKWOFBC-XEAZBWPWSA-N 1 0 210.321 1.419 10 0 BDAERO CCc1ccc(C[NH2+]C2CC(C(N)=O)C2)s1 ZINC000716768735 712572812 /nfs/dbraw/zinc/57/28/12/712572812.db2.gz DMUDJWJEGIFPII-UHFFFAOYSA-N 1 0 238.356 1.664 10 0 BDAERO Cc1cc(C[NH2+]C2CC(C(N)=O)C2)c(C)s1 ZINC000716769919 712572834 /nfs/dbraw/zinc/57/28/34/712572834.db2.gz LQAQGLZVKHBJLO-UHFFFAOYSA-N 1 0 238.356 1.718 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCCc3occc32)C1 ZINC000716782947 712573107 /nfs/dbraw/zinc/57/31/07/712573107.db2.gz LHRKUOOIYQKFHV-NWGYLPEXSA-N 1 0 234.299 1.511 10 0 BDAERO Cc1ccccc1[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716774149 712573250 /nfs/dbraw/zinc/57/32/50/712573250.db2.gz CPVSXRFHSOIONE-VOMCLLRMSA-N 1 0 232.327 1.910 10 0 BDAERO CC1(C)CN(c2nccc3cccnc32)C[C@@H]1[NH3+] ZINC000716901104 712581029 /nfs/dbraw/zinc/58/10/29/712581029.db2.gz UVAKGLZEYXJIQE-NSHDSACASA-N 1 0 242.326 1.803 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1nccc2cccnc21 ZINC000716897710 712581380 /nfs/dbraw/zinc/58/13/80/712581380.db2.gz YWLVUHWJBCWIDE-IUCAKERBSA-N 1 0 216.288 1.777 10 0 BDAERO FC1(F)CC[NH2+]C[C@@H]1CNc1cnccn1 ZINC000717013431 712604661 /nfs/dbraw/zinc/60/46/61/712604661.db2.gz NZYHHPFVGVTYBM-MRVPVSSYSA-N 1 0 228.246 1.133 10 0 BDAERO CC(C)(C[NH3+])c1nc(CC2CCC2)no1 ZINC000379943230 712634626 /nfs/dbraw/zinc/63/46/26/712634626.db2.gz ZURGEDKVWFICGY-UHFFFAOYSA-N 1 0 209.293 1.649 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H](C)O)cc1C ZINC000717384771 712652959 /nfs/dbraw/zinc/65/29/59/712652959.db2.gz FIIIYWZAMMYAGV-SGMGOOAPSA-N 1 0 237.343 1.696 10 0 BDAERO C[C@H](O)[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000717422324 712657265 /nfs/dbraw/zinc/65/72/65/712657265.db2.gz OBMZMAFTTCJFEY-YVZVNANGSA-N 1 0 245.269 1.357 10 0 BDAERO C(C[C@@H]1CC[NH2+]C1)c1nc(CC2CCC2)no1 ZINC000380012150 712670007 /nfs/dbraw/zinc/67/00/07/712670007.db2.gz KZYBFUAYNWAZRK-LLVKDONJSA-N 1 0 235.331 1.954 10 0 BDAERO CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000380195045 712710642 /nfs/dbraw/zinc/71/06/42/712710642.db2.gz QNOVNOMRSKPVIF-SDDRHHMPSA-N 1 0 214.328 1.808 10 0 BDAERO NC(=O)CC1CC([NH2+]CCc2ccccc2)C1 ZINC000718425331 712760664 /nfs/dbraw/zinc/76/06/64/712760664.db2.gz HQEVWYXPSIFOGN-UHFFFAOYSA-N 1 0 232.327 1.473 10 0 BDAERO Cc1coc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000718474355 712764671 /nfs/dbraw/zinc/76/46/71/712764671.db2.gz AEOSQYPTMTYLJP-ZJUUUORDSA-N 1 0 222.288 1.458 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000718808943 712783565 /nfs/dbraw/zinc/78/35/65/712783565.db2.gz CYFADYSBNLUEHQ-QNWHQSFQSA-N 1 0 243.347 1.074 10 0 BDAERO c1cnc2nccc(NCC[NH2+]C3CC3)c2c1 ZINC000718930722 712788631 /nfs/dbraw/zinc/78/86/31/712788631.db2.gz QGQHKOMWFPCXPN-UHFFFAOYSA-N 1 0 228.299 1.794 10 0 BDAERO C[C@@H]([NH3+])CCNc1ccnc2ncccc12 ZINC000718984965 712791653 /nfs/dbraw/zinc/79/16/53/712791653.db2.gz HTOSSPPCXZVVJU-SECBINFHSA-N 1 0 216.288 1.779 10 0 BDAERO CCN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719375266 712807132 /nfs/dbraw/zinc/80/71/32/712807132.db2.gz YUWFQBDZIICGKD-NXEZZACHSA-N 1 0 213.325 1.130 10 0 BDAERO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CCN1C ZINC000719603601 712816080 /nfs/dbraw/zinc/81/60/80/712816080.db2.gz UGBWZPLLHRZSNP-OUAUKWLOSA-N 1 0 214.353 1.076 10 0 BDAERO O[C@H](C[NH2+]C[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000250816046 712834551 /nfs/dbraw/zinc/83/45/51/712834551.db2.gz OPLZUCGTPMFGIL-MGPQQGTHSA-N 1 0 235.327 1.471 10 0 BDAERO Cc1cc(CN(C)[C@H]2CCC[NH2+]CC2)c(C)nn1 ZINC000720583851 712854496 /nfs/dbraw/zinc/85/44/96/712854496.db2.gz RCLYPCADPDUHOQ-AWEZNQCLSA-N 1 0 248.374 1.667 10 0 BDAERO COC[C@@H](C)[NH2+]Cc1cc(C)nnc1C ZINC000720593109 712856066 /nfs/dbraw/zinc/85/60/66/712856066.db2.gz UMWXYCLRGXAHFY-SECBINFHSA-N 1 0 209.293 1.218 10 0 BDAERO C[NH2+]CCc1noc([C@@H](C)[C@@H]2CCCO2)n1 ZINC000720608640 712858391 /nfs/dbraw/zinc/85/83/91/712858391.db2.gz JTCLXNANGOYPOI-IUCAKERBSA-N 1 0 225.292 1.114 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720788255 712865368 /nfs/dbraw/zinc/86/53/68/712865368.db2.gz IUZIJSBIPIDZJG-VOAKCMCISA-N 1 0 224.348 1.367 10 0 BDAERO C[NH2+]CCN(c1nc(C)ns1)C(C)C ZINC000720792149 712865895 /nfs/dbraw/zinc/86/58/95/712865895.db2.gz UHMVHJYVKDTCNP-UHFFFAOYSA-N 1 0 214.338 1.281 10 0 BDAERO C[NH2+]CCN(c1ncccc1F)C(C)C ZINC000720827764 712868681 /nfs/dbraw/zinc/86/86/81/712868681.db2.gz QYPKFSFHMZDSHO-UHFFFAOYSA-N 1 0 211.284 1.655 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720862919 712871207 /nfs/dbraw/zinc/87/12/07/712871207.db2.gz WMRNARSIOCXCMR-WUHRBBMRSA-N 1 0 241.375 1.941 10 0 BDAERO [NH3+][C@@H]1CN(c2ccc(F)cn2)C[C@H]1C(F)(F)F ZINC000720889816 712874628 /nfs/dbraw/zinc/87/46/28/712874628.db2.gz FYUDLBXLZOAPID-HTQZYQBOSA-N 1 0 249.211 1.547 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)C[C@@H]1C ZINC000721109598 712891106 /nfs/dbraw/zinc/89/11/06/712891106.db2.gz FYMVXFMSEFVVOU-NNYUYHANSA-N 1 0 241.331 1.152 10 0 BDAERO CC[C@H](C)c1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000721151015 712892877 /nfs/dbraw/zinc/89/28/77/712892877.db2.gz XBARUTLJRZNBRG-QCLAVDOMSA-N 1 0 221.304 1.906 10 0 BDAERO CO[C@@H](c1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1)C1CC1 ZINC000721162387 712893456 /nfs/dbraw/zinc/89/34/56/712893456.db2.gz SWDAOQLZKWVSMA-VPOLOUISSA-N 1 0 249.314 1.490 10 0 BDAERO [NH3+]C[C@H]1CC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000689169651 976237617 /nfs/dbraw/zinc/23/76/17/976237617.db2.gz WFLJFFOXTICSHU-MRVPVSSYSA-N 1 0 240.328 1.227 10 0 BDAERO C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)[O-])C1 ZINC000692663875 976531779 /nfs/dbraw/zinc/53/17/79/976531779.db2.gz ZJUDSXXNTBOUOL-RYUDHWBXSA-N 1 0 240.347 1.267 10 0 BDAERO COCCC[NH2+]CC[C@@H](CO)C1CCCC1 ZINC000685963720 538910392 /nfs/dbraw/zinc/91/03/92/538910392.db2.gz WAWJAXYLTNLZNU-ZDUSSCGKSA-N 1 0 229.364 1.801 10 0 BDAERO Cc1cc(C)cc(OCC[C@@H](O)CC[NH3+])c1 ZINC000041243115 177912759 /nfs/dbraw/zinc/91/27/59/177912759.db2.gz QRKOMKPOONJWLH-LBPRGKRZSA-N 1 0 223.316 1.782 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000685954122 538899458 /nfs/dbraw/zinc/89/94/58/538899458.db2.gz LIKXDRSXLHVKGI-NXEZZACHSA-N 1 0 219.350 1.329 10 0 BDAERO CC(C)[C@@H]1CC[C@@H](S(=O)(=O)C(C)C)[C@H]([NH3+])C1 ZINC000685954899 538899735 /nfs/dbraw/zinc/89/97/35/538899735.db2.gz QEXIKFTZQUAOKB-IJLUTSLNSA-N 1 0 247.404 1.962 10 0 BDAERO CSC[C@H](C)COCC(F)(F)C[NH3+] ZINC000685955696 538901047 /nfs/dbraw/zinc/90/10/47/538901047.db2.gz OWINYSLYNWBAQR-SSDOTTSWSA-N 1 0 213.293 1.596 10 0 BDAERO CCOC(=O)C(F)(F)CSC[C@@H](C)[NH3+] ZINC000685955669 538901385 /nfs/dbraw/zinc/90/13/85/538901385.db2.gz NOBUVARMMGCZCZ-ZCFIWIBFSA-N 1 0 227.276 1.265 10 0 BDAERO CNCC(F)(F)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000685955608 538901452 /nfs/dbraw/zinc/90/14/52/538901452.db2.gz KXCPYJYGMWCVIE-IUCAKERBSA-N 1 0 204.264 1.183 10 0 BDAERO CNCC(F)(F)CN(C)CC1(C)CC1 ZINC000685955903 538901760 /nfs/dbraw/zinc/90/17/60/538901760.db2.gz SPMCVJUDHYWDTO-UHFFFAOYSA-N 1 0 206.280 1.573 10 0 BDAERO CCOC(=O)C(F)(F)CSCC[NH2+]C ZINC000685955878 538901808 /nfs/dbraw/zinc/90/18/08/538901808.db2.gz RZLCRTNLPKWZIR-UHFFFAOYSA-N 1 0 227.276 1.137 10 0 BDAERO CCCC[NH2+]CC[C@@H](CO)[C@@H]1CCOC1 ZINC000685963683 538910566 /nfs/dbraw/zinc/91/05/66/538910566.db2.gz VOUZNGXJDOORPR-NWDGAFQWSA-N 1 0 215.337 1.411 10 0 BDAERO CCC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685961751 538908685 /nfs/dbraw/zinc/90/86/85/538908685.db2.gz NTFCGJNWWKFEEC-GXFFZTMASA-N 1 0 221.300 1.898 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@H](CO)C1CCOCC1 ZINC000685963308 538909678 /nfs/dbraw/zinc/90/96/78/538909678.db2.gz LRTMNBJISRLQCB-WCQYABFASA-N 1 0 229.364 1.800 10 0 BDAERO c1cc(-c2cnnn2[C@@H]2CCC[NH2+]C2)cs1 ZINC000685952181 538896483 /nfs/dbraw/zinc/89/64/83/538896483.db2.gz ZLAKNZZKDVGEOT-SNVBAGLBSA-N 1 0 234.328 1.931 10 0 BDAERO C[NH2+][C@@H]1C[C@H](C(C)C)CC[C@H]1S(C)(=O)=O ZINC000685953093 538896799 /nfs/dbraw/zinc/89/67/99/538896799.db2.gz GABUKAKYZZWWFX-GMTAPVOTSA-N 1 0 233.377 1.444 10 0 BDAERO Cc1cc(C)n2cc(CSCC[NH3+])nc2n1 ZINC000041638837 177933930 /nfs/dbraw/zinc/93/39/30/177933930.db2.gz UHFHGUQHDHZFMW-UHFFFAOYSA-N 1 0 236.344 1.538 10 0 BDAERO COC1(C[C@@H](C)[NH2+][C@@H]2C[C@H]2CO)CCC1 ZINC000378683199 346807330 /nfs/dbraw/zinc/80/73/30/346807330.db2.gz YVVJJVSTYZJMAS-OUAUKWLOSA-N 1 0 213.321 1.305 10 0 BDAERO CCC(CC)[NH2+]CC[C@@H](CO)[C@H]1CCOC1 ZINC000685963882 538910728 /nfs/dbraw/zinc/91/07/28/538910728.db2.gz ZALFQIWDWLFNRP-RYUDHWBXSA-N 1 0 229.364 1.800 10 0 BDAERO C=C(OCC)c1c(C[NH2+]CC)cnn1C ZINC000685965131 538911561 /nfs/dbraw/zinc/91/15/61/538911561.db2.gz PQMVCMLLZCUINP-UHFFFAOYSA-N 1 0 209.293 1.537 10 0 BDAERO C=C(OCC)c1cnn(C)c1C[NH2+]CCC ZINC000685965108 538911600 /nfs/dbraw/zinc/91/16/00/538911600.db2.gz PCUCCZJRPKWPJH-UHFFFAOYSA-N 1 0 223.320 1.927 10 0 BDAERO Cc1cc(F)c([C@@H]2C[NH2+]C[C@]2(C)N)cc1F ZINC000685965390 538911751 /nfs/dbraw/zinc/91/17/51/538911751.db2.gz CEXXPLQZQWJIBG-CABZTGNLSA-N 1 0 226.270 1.677 10 0 BDAERO COc1cc(C=O)cc2cc(CC[NH3+])oc21 ZINC000685965490 538911789 /nfs/dbraw/zinc/91/17/89/538911789.db2.gz GXWSEQJGGISHHT-UHFFFAOYSA-N 1 0 219.240 1.755 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000685965812 538911876 /nfs/dbraw/zinc/91/18/76/538911876.db2.gz UMTPMPALSYUOGK-KOLCDFICSA-N 1 0 210.708 1.744 10 0 BDAERO CSC1(C[NH2+]CC2CC(O)C2)CC1 ZINC000308153346 346808937 /nfs/dbraw/zinc/80/89/37/346808937.db2.gz RXQIOFYXZKTOQD-UHFFFAOYSA-N 1 0 201.335 1.243 10 0 BDAERO C[C@@H](C[NH3+])c1ncc(Br)cn1 ZINC000070949290 398142639 /nfs/dbraw/zinc/14/26/39/398142639.db2.gz NUYMGWSTFFDQGD-YFKPBYRVSA-N 1 0 216.082 1.301 10 0 BDAERO CCC(CC)(C[NH3+])CN(C)Cc1cnn(C)c1 ZINC000051257286 168322259 /nfs/dbraw/zinc/32/22/59/168322259.db2.gz XKCCDHABPSGDEO-UHFFFAOYSA-N 1 0 238.379 1.617 10 0 BDAERO CCC(CC)(CN[C@H]1CC[NH2+]C1)SC ZINC000232953635 168326872 /nfs/dbraw/zinc/32/68/72/168326872.db2.gz AERFRVHLAODMEU-JTQLQIEISA-N 1 0 216.394 1.860 10 0 BDAERO Cc1cccc(C[N@@H+]2CC[C@H](CCO)C2)n1 ZINC000161618857 349476944 /nfs/dbraw/zinc/47/69/44/349476944.db2.gz JAXXPGHQISLPFC-GFCCVEGCSA-N 1 0 220.316 1.594 10 0 BDAERO CC(C)Oc1cncc(N[C@H]2CCC[NH2+]C2)n1 ZINC000071176253 398144440 /nfs/dbraw/zinc/14/44/40/398144440.db2.gz UXDSETSQCTWGOR-JTQLQIEISA-N 1 0 236.319 1.428 10 0 BDAERO CCC(CC)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236894 168335755 /nfs/dbraw/zinc/33/57/55/168335755.db2.gz PSOSGHATYRCVHX-WDEREUQCSA-N 1 0 210.321 1.243 10 0 BDAERO CSCC[C@H](C)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000158817302 136214080 /nfs/dbraw/zinc/21/40/80/136214080.db2.gz AWLDKOTUPHTJIQ-DCAQKATOSA-N 1 0 244.404 1.442 10 0 BDAERO COC(=O)CCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190352 349501744 /nfs/dbraw/zinc/50/17/44/349501744.db2.gz WJKOJTPFKTYONB-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC(C)(C)C(C)C ZINC000390278229 398169214 /nfs/dbraw/zinc/16/92/14/398169214.db2.gz UKAAKJYIJSWCSX-JTQLQIEISA-N 1 0 214.353 1.911 10 0 BDAERO NC1=NC(=O)O[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000307476642 398170574 /nfs/dbraw/zinc/17/05/74/398170574.db2.gz ADPOGYYWRIIBJU-ZDUSSCGKSA-N 1 0 245.282 1.139 10 0 BDAERO CC1(Nc2ncc(Br)cn2)C[NH2+]C1 ZINC000307505676 398173471 /nfs/dbraw/zinc/17/34/71/398173471.db2.gz QEJUIKSXNVOYSQ-UHFFFAOYSA-N 1 0 243.108 1.013 10 0 BDAERO C[C@@]1(CO)CCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000309156558 136217715 /nfs/dbraw/zinc/21/77/15/136217715.db2.gz XPDNTABPAGDKND-MNOVXSKESA-N 1 0 213.321 1.042 10 0 BDAERO Cc1cc(COC[C@@H]2CCCC[NH2+]2)on1 ZINC000051815692 178049686 /nfs/dbraw/zinc/04/96/86/178049686.db2.gz OZEHNDOHBCOKDZ-JTQLQIEISA-N 1 0 210.277 1.642 10 0 BDAERO Cc1cc(C[C@@H](C)[NH3+])cc(C)c1OCC(N)=O ZINC000037723208 178053440 /nfs/dbraw/zinc/05/34/40/178053440.db2.gz AVUXWMRXNKQZIH-SNVBAGLBSA-N 1 0 236.315 1.057 10 0 BDAERO C[C@](O)(C[NH2+]CC[C@@H]1CCCO1)C(F)(F)F ZINC000390139932 398161602 /nfs/dbraw/zinc/16/16/02/398161602.db2.gz ODBADIZLJHXGTD-IUCAKERBSA-N 1 0 241.253 1.458 10 0 BDAERO Cc1cc(Cl)nc(O[C@@H]2CCC[NH2+]C2)n1 ZINC000095068940 178071376 /nfs/dbraw/zinc/07/13/76/178071376.db2.gz IHZSZDOBUDVNFP-MRVPVSSYSA-N 1 0 227.695 1.569 10 0 BDAERO Cc1cc(F)ccc1-n1cc(C[NH3+])nn1 ZINC000050224123 178080961 /nfs/dbraw/zinc/08/09/61/178080961.db2.gz JDLOKQKVUYPSFN-UHFFFAOYSA-N 1 0 206.224 1.174 10 0 BDAERO Cc1cc(F)ccc1N1CC[C@H](C[NH3+])C1 ZINC000019503655 178087748 /nfs/dbraw/zinc/08/77/48/178087748.db2.gz MSCQUCSITVLHBB-SNVBAGLBSA-N 1 0 208.280 1.919 10 0 BDAERO Cc1cc(F)ccc1[C@@H]1C[C@]1(C[NH3+])CO ZINC000070500511 178091687 /nfs/dbraw/zinc/09/16/87/178091687.db2.gz UTFMPECBEZTCCI-RYUDHWBXSA-N 1 0 209.264 1.559 10 0 BDAERO Cc1cc(N(C)CC[NH2+]C(C)(C)C)nc(C)n1 ZINC000053692235 178099087 /nfs/dbraw/zinc/09/90/87/178099087.db2.gz KGFWMNVWSWTVCO-UHFFFAOYSA-N 1 0 236.363 1.918 10 0 BDAERO CN1CCC[C@H]1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000386220515 398200167 /nfs/dbraw/zinc/20/01/67/398200167.db2.gz JOVHTAJZHTWPPK-LSDHHAIUSA-N 1 0 248.370 1.578 10 0 BDAERO Cc1cnn(C)c1[C@H](C[NH3+])C1(CO)CCCC1 ZINC000536953995 398197992 /nfs/dbraw/zinc/19/79/92/398197992.db2.gz MRUONMSPNGXMNG-NSHDSACASA-N 1 0 237.347 1.324 10 0 BDAERO C[C@H]1OCCN(C(=O)C2CCC([NH3+])CC2)[C@H]1C ZINC000380569438 398200653 /nfs/dbraw/zinc/20/06/53/398200653.db2.gz QZCZQBDTHMRPDH-DMOGRIERSA-N 1 0 240.347 1.140 10 0 BDAERO COC(=O)[C@H](C)C[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000393824205 343982599 /nfs/dbraw/zinc/98/25/99/343982599.db2.gz CQAQMLPVXBZAAX-WOPDTQHZSA-N 1 0 243.347 1.278 10 0 BDAERO Cc1cc(N2C[C@@H]3C[NH2+][C@@H]3C2)cnc1C ZINC000028866030 178121102 /nfs/dbraw/zinc/12/11/02/178121102.db2.gz QEYUSQRGGVRBMY-CMPLNLGQSA-N 1 0 203.289 1.106 10 0 BDAERO Cc1cc(N2C[C@H]([NH3+])CC2=O)ccc1F ZINC000061121520 178122042 /nfs/dbraw/zinc/12/20/42/178122042.db2.gz JXGFGKWMLNHTPE-MRVPVSSYSA-N 1 0 208.236 1.198 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000386275876 398204371 /nfs/dbraw/zinc/20/43/71/398204371.db2.gz CPPDAVBFJDGYOP-OLZOCXBDSA-N 1 0 226.364 1.175 10 0 BDAERO 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Cc1cc(OC[C@@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000095068986 178212542 /nfs/dbraw/zinc/21/25/42/178212542.db2.gz CCDNNPZGKDVMBD-MRVPVSSYSA-N 1 0 227.695 1.427 10 0 BDAERO Cc1ncsc1CNC1=[NH+]CCS1 ZINC000070837370 361781044 /nfs/dbraw/zinc/78/10/44/361781044.db2.gz GCGCHEZVOOKWMU-UHFFFAOYSA-N 1 0 213.331 1.644 10 0 BDAERO C[C@H]([NH3+])c1csc(-c2ccncn2)n1 ZINC000070840391 361783930 /nfs/dbraw/zinc/78/39/30/361783930.db2.gz MQEAIVFNIMWTAQ-LURJTMIESA-N 1 0 206.274 1.620 10 0 BDAERO Cc1cc([C@@H]2C[C@@]2(C[NH3+])CO)c(C)s1 ZINC000070500164 178242508 /nfs/dbraw/zinc/24/25/08/178242508.db2.gz IXLBXDNKZQHRAT-WDEREUQCSA-N 1 0 211.330 1.790 10 0 BDAERO Cc1cc([C@@H]2C[C@]2(C[NH3+])CO)c(C)s1 ZINC000070500169 178243091 /nfs/dbraw/zinc/24/30/91/178243091.db2.gz IXLBXDNKZQHRAT-QWRGUYRKSA-N 1 0 211.330 1.790 10 0 BDAERO Cc1cc([C@H](C)N2CC[C@@H]([NH3+])C2=O)c(C)s1 ZINC000049649277 178244439 /nfs/dbraw/zinc/24/44/39/178244439.db2.gz IOPODAITHORLEQ-GZMMTYOYSA-N 1 0 238.356 1.986 10 0 BDAERO Cc1cc([C@H](C)[NH2+]C(C)(C)C(N)=O)c(C)o1 ZINC000040674419 178245148 /nfs/dbraw/zinc/24/51/48/178245148.db2.gz BFEHIQIAUSYWHF-QMMMGPOBSA-N 1 0 224.304 1.811 10 0 BDAERO C=CC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000616571193 538938179 /nfs/dbraw/zinc/93/81/79/538938179.db2.gz PQZIFXTVMCJDEP-CHWSQXEVSA-N 1 0 248.301 1.655 10 0 BDAERO Cc1cc([C@H]([NH2+]C2CC2)C(N)=O)ccc1F ZINC000050558958 178262853 /nfs/dbraw/zinc/26/28/53/178262853.db2.gz ZJUSBWKLWIWTOU-NSHDSACASA-N 1 0 222.263 1.413 10 0 BDAERO C[C@@H]1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000379784410 398238634 /nfs/dbraw/zinc/23/86/34/398238634.db2.gz HHVNCHFLRSMXRH-ZJUUUORDSA-N 1 0 208.309 1.563 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)[C@H](C)C[C@H]2[NH3+] ZINC000035752221 178286667 /nfs/dbraw/zinc/28/66/67/178286667.db2.gz LJVNWGRTNCLBBV-MWLCHTKSSA-N 1 0 239.340 1.869 10 0 BDAERO CCn1c(C)nnc1COc1ccc(C[NH3+])cc1 ZINC000576628207 365642199 /nfs/dbraw/zinc/64/21/99/365642199.db2.gz RIQKQOBLYTYFRV-UHFFFAOYSA-N 1 0 246.314 1.644 10 0 BDAERO CN(C(=O)C1(C)CCC1)[C@H]1CCC[NH2+]CC1 ZINC000576627478 365642703 /nfs/dbraw/zinc/64/27/03/365642703.db2.gz UKJSOWNTUDIJTO-NSHDSACASA-N 1 0 224.348 1.777 10 0 BDAERO Cc1c(C[NH3+])nnn1-c1ccc(C)cc1 ZINC000020390930 178349655 /nfs/dbraw/zinc/34/96/55/178349655.db2.gz PHKLJCNPXAXCAM-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO C[C@]1(O)CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000381392087 398255141 /nfs/dbraw/zinc/25/51/41/398255141.db2.gz NPUSPNFYDQWGPS-UPJWGTAASA-N 1 0 227.348 1.384 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cncs1 ZINC000295003659 398264344 /nfs/dbraw/zinc/26/43/44/398264344.db2.gz LNZCZQDIAUJCCX-SCZZXKLOSA-N 1 0 212.318 1.488 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)O1 ZINC000384723796 398259907 /nfs/dbraw/zinc/25/99/07/398259907.db2.gz ISEQNLCNGALKFN-OOCWMUITSA-N 1 0 240.347 1.057 10 0 BDAERO CC(C)C[C@H]([NH3+])[C@@H](O)C(=O)OC(C)(C)C ZINC000138852437 538949699 /nfs/dbraw/zinc/94/96/99/538949699.db2.gz QQTDLBZDUYMEBT-DTWKUNHWSA-N 1 0 217.309 1.062 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1COc2ccccc21 ZINC000385055225 398261059 /nfs/dbraw/zinc/26/10/59/398261059.db2.gz DMSRUYUVVZDXQS-ADEWGFFLSA-N 1 0 246.310 1.111 10 0 BDAERO CCC(=O)C(C(=O)CC)[C@H]1CCCC[NH2+]1 ZINC000230798246 538951059 /nfs/dbraw/zinc/95/10/59/538951059.db2.gz RDHOMWRYSJTWJK-SECBINFHSA-N 1 0 211.305 1.703 10 0 BDAERO CCC(CC)N(CC[NH3+])C(=O)c1ccnn1C ZINC000104303108 168372550 /nfs/dbraw/zinc/37/25/50/168372550.db2.gz UDLWRBWINIKELY-UHFFFAOYSA-N 1 0 238.335 1.010 10 0 BDAERO CCC(CC)N(CCO)C(=O)[C@H]([NH3+])CC(C)C ZINC000042526163 168374711 /nfs/dbraw/zinc/37/47/11/168374711.db2.gz JIWJGZDHKLWAAQ-GFCCVEGCSA-N 1 0 244.379 1.369 10 0 BDAERO CNc1ccc([C@H]2CCN(CC[NH3+])C2)cc1 ZINC000616612708 349578658 /nfs/dbraw/zinc/57/86/58/349578658.db2.gz QZWNXGGRJDNNAY-LBPRGKRZSA-N 1 0 219.332 1.476 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)o1 ZINC000335552829 178395699 /nfs/dbraw/zinc/39/56/99/178395699.db2.gz DYXXXRUXDURAHZ-DTWKUNHWSA-N 1 0 208.261 1.150 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)o1 ZINC000335552828 178397317 /nfs/dbraw/zinc/39/73/17/178397317.db2.gz DYXXXRUXDURAHZ-BDAKNGLRSA-N 1 0 208.261 1.150 10 0 BDAERO [NH3+]C1(CNC(=O)N2CC[C@@H](F)C2)CCCCC1 ZINC000334925110 398274116 /nfs/dbraw/zinc/27/41/16/398274116.db2.gz LAIWQTPDTFUXPL-SNVBAGLBSA-N 1 0 243.326 1.401 10 0 BDAERO C[C@]([NH3+])(C[NH3+])CCOCc1ccccc1 ZINC000143964338 342691191 /nfs/dbraw/zinc/69/11/91/342691191.db2.gz VFAPWFGSMRBOKK-GFCCVEGCSA-N 1 0 208.305 1.269 10 0 BDAERO CCCN(CC)[C@@H](CC[NH3+])C(F)(F)F ZINC000037178523 538961958 /nfs/dbraw/zinc/96/19/58/538961958.db2.gz AMHYAPHOFPFEEH-QMMMGPOBSA-N 1 0 212.259 1.998 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CCSCC1 ZINC000335604355 136236135 /nfs/dbraw/zinc/23/61/35/136236135.db2.gz YJBWGEIIHJMUPP-WPRPVWTQSA-N 1 0 228.361 1.139 10 0 BDAERO [NH3+][C@H](CCO)c1cc(Br)cs1 ZINC000002530224 342722950 /nfs/dbraw/zinc/72/29/50/342722950.db2.gz ANJLLLOSQAQWOO-ZCFIWIBFSA-N 1 0 236.134 1.893 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385282216 342727785 /nfs/dbraw/zinc/72/77/85/342727785.db2.gz VXRWFCDCBXZHCH-QWRGUYRKSA-N 1 0 234.347 1.834 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000309598808 342731909 /nfs/dbraw/zinc/73/19/09/342731909.db2.gz VTQSSCDMHGXIQA-UONOGXRCSA-N 1 0 217.312 1.372 10 0 BDAERO [NH3+][C@@H]1COc2c1cc(Br)cc2F ZINC000035653903 342754140 /nfs/dbraw/zinc/75/41/40/342754140.db2.gz BTJQGWSPHDYUSF-SSDOTTSWSA-N 1 0 232.052 1.980 10 0 BDAERO C[C@H]1CCN(CCC(F)(F)F)C[C@@H]1[NH3+] ZINC000070914858 361880115 /nfs/dbraw/zinc/88/01/15/361880115.db2.gz DGVHSYBDKAQLFC-YUMQZZPRSA-N 1 0 210.243 1.608 10 0 BDAERO O=C(NC1(C2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000309650182 342775051 /nfs/dbraw/zinc/77/50/51/342775051.db2.gz SJFBKZLPMJCKQW-VIFPVBQESA-N 1 0 208.305 1.045 10 0 BDAERO [NH3+][C@H]1Cc2ccc(Br)cc2[C@@H]1O ZINC000008699398 342802578 /nfs/dbraw/zinc/80/25/78/342802578.db2.gz BBGSZWVDGBNSFX-IUCAKERBSA-N 1 0 228.089 1.366 10 0 BDAERO C[C@@H]1CN(CC(C)(C)C[NH3+])[C@@H](C)CO1 ZINC000225238554 398285005 /nfs/dbraw/zinc/28/50/05/398285005.db2.gz AJBBGKDSFRPANV-VHSXEESVSA-N 1 0 200.326 1.081 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)C1CCOCC1 ZINC000226545622 342789040 /nfs/dbraw/zinc/78/90/40/342789040.db2.gz SXHMCOZRTDMIPJ-QWRGUYRKSA-N 1 0 211.305 1.357 10 0 BDAERO CN(C(=O)CC[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000381907901 398285687 /nfs/dbraw/zinc/28/56/87/398285687.db2.gz FLRRBAXCOLEVPN-SNVBAGLBSA-N 1 0 212.337 1.776 10 0 BDAERO COCCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037232491 536589902 /nfs/dbraw/zinc/58/99/02/536589902.db2.gz OEKZGJSLAJXIQP-GFCCVEGCSA-N 1 0 248.326 1.720 10 0 BDAERO Cc1[nH+]ccc(N[C@@H]2CCOC[C@H]2O)c1Cl ZINC000624687900 342816570 /nfs/dbraw/zinc/81/65/70/342816570.db2.gz RCSPGKXETUQENB-PSASIEDQSA-N 1 0 242.706 1.027 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@]1(CC)CCOC1 ZINC000378741502 538973934 /nfs/dbraw/zinc/97/39/34/538973934.db2.gz HOFAHZNFCLGSRQ-QWHCGFSZSA-N 1 0 245.363 1.323 10 0 BDAERO CCN1CCC[C@H]([NH3+])[C@@H]1c1cscn1 ZINC000126924328 342805214 /nfs/dbraw/zinc/80/52/14/342805214.db2.gz SXXVXLJAWRQTET-WCBMZHEXSA-N 1 0 211.334 1.627 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000336652481 346864400 /nfs/dbraw/zinc/86/44/00/346864400.db2.gz IKSUCLIZZSFNFG-AGIUHOORSA-N 1 0 226.364 1.628 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000380340420 538989327 /nfs/dbraw/zinc/98/93/27/538989327.db2.gz RLAUFLBPXCCDLA-NXEZZACHSA-N 1 0 209.293 1.111 10 0 BDAERO C[C@H]([NH2+]CCCS(N)(=O)=O)c1cccs1 ZINC000045066578 538990671 /nfs/dbraw/zinc/99/06/71/538990671.db2.gz CIPJOKSJXIYBFY-QMMMGPOBSA-N 1 0 248.373 1.077 10 0 BDAERO C[C@H]1CSC(N[C@H]2CCCOC2)=[NH+]1 ZINC000071023303 361930866 /nfs/dbraw/zinc/93/08/66/361930866.db2.gz BXJANARJDVCTDK-YUMQZZPRSA-N 1 0 200.307 1.246 10 0 BDAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](O)CC2)C1 ZINC000381976781 398291172 /nfs/dbraw/zinc/29/11/72/398291172.db2.gz ALDWUDUMNXLKJZ-UPJWGTAASA-N 1 0 227.348 1.384 10 0 BDAERO CC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000379965106 538982766 /nfs/dbraw/zinc/98/27/66/538982766.db2.gz YJTCKHLOECSILF-SCVCMEIPSA-N 1 0 212.337 1.631 10 0 BDAERO Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000381552157 539003821 /nfs/dbraw/zinc/00/38/21/539003821.db2.gz NCXWCJYUKQLNPA-GHMZBOCLSA-N 1 0 223.320 1.122 10 0 BDAERO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](CC)C(C)C ZINC000385622692 342837772 /nfs/dbraw/zinc/83/77/72/342837772.db2.gz FJFHAOBJQOOQNP-RYUDHWBXSA-N 1 0 245.363 1.715 10 0 BDAERO C[C@H]([NH2+]C1CCN(CCO)CC1)C(C)(C)C ZINC000381152440 538995223 /nfs/dbraw/zinc/99/52/23/538995223.db2.gz BBXCQFWEEUBZIV-NSHDSACASA-N 1 0 228.380 1.467 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+]CCC(C)C)[C@@H](C)C1 ZINC000390150813 539019833 /nfs/dbraw/zinc/01/98/33/539019833.db2.gz UBKQFWRJFLTJRU-AAEUAGOBSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CCOCC1 ZINC000390548705 539026011 /nfs/dbraw/zinc/02/60/11/539026011.db2.gz NTCARLYWZQVXDR-DRZSPHRISA-N 1 0 227.348 1.695 10 0 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CC1CC(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)C1 ZINC000584047581 343306532 /nfs/dbraw/zinc/30/65/32/343306532.db2.gz UAOUWHXFYJTEMR-DRYUAMBJSA-N 1 0 238.375 1.864 10 0 BDAERO CC(C)COC(=O)N1[C@H]2C[NH2+]C[C@@H]2C[C@@H]1C ZINC000036263667 343313614 /nfs/dbraw/zinc/31/36/14/343313614.db2.gz RYIGOQFWMTVKTB-DCAQKATOSA-N 1 0 226.320 1.461 10 0 BDAERO COC(=O)CC[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000037483846 343346886 /nfs/dbraw/zinc/34/68/86/343346886.db2.gz FNRCVPUVUWZSSY-LLVKDONJSA-N 1 0 223.272 1.648 10 0 BDAERO COc1ccc(C[C@H]2C[NH2+]CCN2)cc1C ZINC000039110259 343384862 /nfs/dbraw/zinc/38/48/62/343384862.db2.gz BWZQFKWZXXKFMY-LBPRGKRZSA-N 1 0 220.316 1.108 10 0 BDAERO [NH3+][C@@H](CCO)c1nc2c(cccc2F)[nH]1 ZINC000040710343 343408413 /nfs/dbraw/zinc/40/84/13/343408413.db2.gz NDNNXDWQGQTKQJ-ZETCQYMHSA-N 1 0 209.224 1.084 10 0 BDAERO O=C(c1ccnc(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000041040023 343413329 /nfs/dbraw/zinc/41/33/29/343413329.db2.gz JIOBBHBGHYLCHM-LLVKDONJSA-N 1 0 249.289 1.141 10 0 BDAERO CC[C@H](C)CN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082559129 343448333 /nfs/dbraw/zinc/44/83/33/343448333.db2.gz GSCLIHRTDBDOLI-DCAQKATOSA-N 1 0 212.337 1.346 10 0 BDAERO CC(C)([NH3+])c1cn(C[C@H]2CC(C)(C)CO2)nn1 ZINC000641094595 362222578 /nfs/dbraw/zinc/22/25/78/362222578.db2.gz VRWWWHOSXXFVIK-SECBINFHSA-N 1 0 238.335 1.287 10 0 BDAERO CC[C@H]([NH3+])CNc1ncnc2sccc21 ZINC000082579433 343452559 /nfs/dbraw/zinc/45/25/59/343452559.db2.gz NEZQZUCEIQOSAY-ZETCQYMHSA-N 1 0 222.317 1.841 10 0 BDAERO Cc1nccc(CN[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000054790640 136372963 /nfs/dbraw/zinc/37/29/63/136372963.db2.gz OQTWVMUJEFYMRV-LBPRGKRZSA-N 1 0 248.374 1.749 10 0 BDAERO Cc1nccc(C[NH2+]CCc2ccc(O)cc2)n1 ZINC000054790822 136373030 /nfs/dbraw/zinc/37/30/30/136373030.db2.gz LKUDQPGEDWMUPD-UHFFFAOYSA-N 1 0 243.310 1.823 10 0 BDAERO C[NH+]1CCC(Oc2cc(N)ccn2)CC1 ZINC000043569643 343477703 /nfs/dbraw/zinc/47/77/03/343477703.db2.gz QZAFLGODJMSZDR-UHFFFAOYSA-N 1 0 207.277 1.137 10 0 BDAERO NC(=[NH2+])Cc1cc(Br)cs1 ZINC000043687512 343480733 /nfs/dbraw/zinc/48/07/33/343480733.db2.gz OZXXHDNXCSUQSD-UHFFFAOYSA-N 1 0 219.107 1.989 10 0 BDAERO CCOCCC[N@@H+]1CCC[C@H]1CCCO ZINC000083552973 343490169 /nfs/dbraw/zinc/49/01/69/343490169.db2.gz VJRPGXQJNQUHTQ-LBPRGKRZSA-N 1 0 215.337 1.650 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000044136072 343493016 /nfs/dbraw/zinc/49/30/16/343493016.db2.gz YIXXFPABOISYEV-CHWSQXEVSA-N 1 0 249.310 1.561 10 0 BDAERO CCCc1nsc(NC[C@H](C)C[NH3+])n1 ZINC000083675947 343495623 /nfs/dbraw/zinc/49/56/23/343495623.db2.gz AWKOFKUUGHNQGM-SSDOTTSWSA-N 1 0 214.338 1.497 10 0 BDAERO C[C@H]([NH3+])[C@H](N1CCCCC1)C(F)(F)F ZINC000043376315 343469069 /nfs/dbraw/zinc/46/90/69/343469069.db2.gz UWXBBFKOZRFVLJ-YUMQZZPRSA-N 1 0 210.243 1.750 10 0 BDAERO CC1(C)[C@@H]([NH2+]C2CCOCC2)[C@@H]2CCO[C@@H]21 ZINC000082944126 343472105 /nfs/dbraw/zinc/47/21/05/343472105.db2.gz UVBJRJKGDHYLTE-SRVKXCTJSA-N 1 0 225.332 1.569 10 0 BDAERO Cc1[nH+]ccc(NCC2CC(O)C2)c1Cl ZINC000379943889 365756166 /nfs/dbraw/zinc/75/61/66/365756166.db2.gz ILCRXQRXDONPFI-UHFFFAOYSA-N 1 0 226.707 1.648 10 0 BDAERO C[NH+](C)[C@@H]1CCN(CCO)c2ccccc21 ZINC000616587324 343517784 /nfs/dbraw/zinc/51/77/84/343517784.db2.gz PWVQVJPRXOUUDC-GFCCVEGCSA-N 1 0 220.316 1.492 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ccon2)CC1 ZINC000616602235 343519589 /nfs/dbraw/zinc/51/95/89/343519589.db2.gz VKVHPRXWYKIGEY-SNVBAGLBSA-N 1 0 210.277 1.236 10 0 BDAERO COC(=O)[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000310533506 343527971 /nfs/dbraw/zinc/52/79/71/343527971.db2.gz QNBWSYUBGVYQKM-QJPTWQEYSA-N 1 0 241.331 1.032 10 0 BDAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cnno1 ZINC000616655964 343532000 /nfs/dbraw/zinc/53/20/00/343532000.db2.gz OEUXGRBBXLAOGD-SECBINFHSA-N 1 0 225.292 1.632 10 0 BDAERO CCc1[nH+]c2cc(N)cc3c2-c1c[nH][nH]c3=O ZINC000045806439 343535040 /nfs/dbraw/zinc/53/50/40/343535040.db2.gz BOBRJSOBPBRADS-UHFFFAOYSA-N 1 0 228.255 1.549 10 0 BDAERO C[C@@H](O)C[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945078 343536135 /nfs/dbraw/zinc/53/61/35/343536135.db2.gz MBIYFNMXPINHDP-SNVBAGLBSA-N 1 0 218.300 1.649 10 0 BDAERO [NH3+][C@H](CO)Cc1cc(Br)ccc1F ZINC000044464175 343501913 /nfs/dbraw/zinc/50/19/13/343501913.db2.gz DAQSBVNCJRPPAZ-QMMMGPOBSA-N 1 0 248.095 1.450 10 0 BDAERO CN1CC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712536981 537788836 /nfs/dbraw/zinc/78/88/36/537788836.db2.gz SBFAOCOASJVODY-LLVKDONJSA-N 1 0 208.330 1.425 10 0 BDAERO CCN1CC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712553189 537792258 /nfs/dbraw/zinc/79/22/58/537792258.db2.gz FIWOZDCHIUPMTQ-GFCCVEGCSA-N 1 0 222.357 1.815 10 0 BDAERO COC1(CNC2=[NH+]CCS2)CCC1 ZINC000234706459 343639169 /nfs/dbraw/zinc/63/91/69/343639169.db2.gz BLUHSMKYXQSOJT-UHFFFAOYSA-N 1 0 200.307 1.248 10 0 BDAERO Cc1cnc(C)c(N[C@@H](C)CCC[NH3+])n1 ZINC000087362249 343645514 /nfs/dbraw/zinc/64/55/14/343645514.db2.gz AMGAKAJQPOKBNY-QMMMGPOBSA-N 1 0 208.309 1.633 10 0 BDAERO COc1c(C[NH2+]CCSC)c(C)nn1C ZINC000135054934 343660098 /nfs/dbraw/zinc/66/00/98/343660098.db2.gz HVNUJHODCHRGKB-UHFFFAOYSA-N 1 0 229.349 1.190 10 0 BDAERO CCc1nc([C@@]2([NH3+])CCS[C@@H]2C)no1 ZINC000234227238 343709539 /nfs/dbraw/zinc/70/95/39/343709539.db2.gz IEPWYXQOXUCXEN-HZGVNTEJSA-N 1 0 213.306 1.311 10 0 BDAERO COc1ccnc(N[C@H](C[NH3+])CC(C)C)n1 ZINC000082592970 133503151 /nfs/dbraw/zinc/50/31/51/133503151.db2.gz TWTCLTXIUIMADM-VIFPVBQESA-N 1 0 224.308 1.271 10 0 BDAERO C[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)C(C)(C)C ZINC000082628538 133504349 /nfs/dbraw/zinc/50/43/49/133504349.db2.gz TYNGOQAYGGWLTF-VHSXEESVSA-N 1 0 212.337 1.618 10 0 BDAERO CN(C(=O)[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000154309468 343713640 /nfs/dbraw/zinc/71/36/40/343713640.db2.gz RNSXKGLKMDJBMY-QMMMGPOBSA-N 1 0 225.317 1.106 10 0 BDAERO CC1CC(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000621676598 343719221 /nfs/dbraw/zinc/71/92/21/343719221.db2.gz VABRHWYMQKCKAD-MMVSWEMESA-N 1 0 224.348 1.524 10 0 BDAERO C[C@H]([NH3+])C(C)(C)CN1CCO[C@@H](C)C1 ZINC000227285857 343722653 /nfs/dbraw/zinc/72/26/53/343722653.db2.gz ZBRHWOUHXJJJLE-UWVGGRQHSA-N 1 0 200.326 1.081 10 0 BDAERO CSC1(CN2CC[NH2+]C[C@@H]2C)CC1 ZINC000235053799 343726391 /nfs/dbraw/zinc/72/63/91/343726391.db2.gz YZHPHQYFVBUBIC-VIFPVBQESA-N 1 0 200.351 1.176 10 0 BDAERO [NH3+]CCNc1nccc(N2CCCCCC2)n1 ZINC000003960679 343771483 /nfs/dbraw/zinc/77/14/83/343771483.db2.gz JCUKFHHQQDCCBU-UHFFFAOYSA-N 1 0 235.335 1.228 10 0 BDAERO C[N@@H+]1CCCN(c2ccccc2N)CC1 ZINC000020217459 343774858 /nfs/dbraw/zinc/77/48/58/343774858.db2.gz OFQOYFRMFJYACE-UHFFFAOYSA-N 1 0 205.305 1.411 10 0 BDAERO Cc1ccc(F)c(NC(=O)C[NH3+])c1F ZINC000215069443 349855013 /nfs/dbraw/zinc/85/50/13/349855013.db2.gz OTJJIXGSFBFSJT-UHFFFAOYSA-N 1 0 200.188 1.170 10 0 BDAERO C[NH2+][C@@H]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000109497283 343786247 /nfs/dbraw/zinc/78/62/47/343786247.db2.gz VJNNMPFPAOHOGI-VHSXEESVSA-N 1 0 244.298 1.987 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H]1C1CC1 ZINC000118246274 343786907 /nfs/dbraw/zinc/78/69/07/343786907.db2.gz RYNAGLMDQOVNMK-NXEZZACHSA-N 1 0 226.320 1.509 10 0 BDAERO CNc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000127965001 343787219 /nfs/dbraw/zinc/78/72/19/343787219.db2.gz KZDNSHQZLXFOPK-IUCAKERBSA-N 1 0 236.319 1.440 10 0 BDAERO CNc1cc(N2CCC(CO)CC2)nc(C)[nH+]1 ZINC000127204682 343787792 /nfs/dbraw/zinc/78/77/92/343787792.db2.gz ZUYPMFCGEVQSDL-UHFFFAOYSA-N 1 0 236.319 1.035 10 0 BDAERO CCc1cc(CC)n(C[C@H]2CCC[NH2+]2)n1 ZINC000134218365 343788316 /nfs/dbraw/zinc/78/83/16/343788316.db2.gz WRNRCFOZOTUMKQ-LLVKDONJSA-N 1 0 207.321 1.760 10 0 BDAERO Cn1nc(-c2ccccc2)cc1CC[NH3+] ZINC000219933191 343793059 /nfs/dbraw/zinc/79/30/59/343793059.db2.gz ZXELNULYEYFILH-UHFFFAOYSA-N 1 0 201.273 1.588 10 0 BDAERO CCOC[C@H]1C[N@H+](CCO)CC12CCCCC2 ZINC000409428292 343802972 /nfs/dbraw/zinc/80/29/72/343802972.db2.gz GFLIVOQXBRPARZ-CYBMUJFWSA-N 1 0 241.375 1.898 10 0 BDAERO [NH3+]Cc1cnn(CCOCc2ccccc2)c1 ZINC000306205060 343797328 /nfs/dbraw/zinc/79/73/28/343797328.db2.gz RCYZYRQXZDWWAV-UHFFFAOYSA-N 1 0 231.299 1.559 10 0 BDAERO O=C([C@@H]1CCC[NH2+]C1)N1CCC(CF)CC1 ZINC000409426430 343798040 /nfs/dbraw/zinc/79/80/40/343798040.db2.gz IAXFHSHDDXZUED-LLVKDONJSA-N 1 0 228.311 1.194 10 0 BDAERO COCc1cccc2c1CCN2C(=O)[C@@H](C)[NH3+] ZINC000409426799 343799087 /nfs/dbraw/zinc/79/90/87/343799087.db2.gz DALMQSYOHQRDBR-SECBINFHSA-N 1 0 234.299 1.069 10 0 BDAERO CCCCC[N@@H+]1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409422028 343812766 /nfs/dbraw/zinc/81/27/66/343812766.db2.gz BQXYZOFUTPDURS-QWRGUYRKSA-N 1 0 229.320 1.032 10 0 BDAERO CCCCC[N@@H+]1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409422026 343812892 /nfs/dbraw/zinc/81/28/92/343812892.db2.gz BQXYZOFUTPDURS-MNOVXSKESA-N 1 0 229.320 1.032 10 0 BDAERO CCOCc1ccc2c(c1)C[NH2+]CCO2 ZINC000409422834 343814394 /nfs/dbraw/zinc/81/43/94/343814394.db2.gz KMFZSCJWNSOGIZ-UHFFFAOYSA-N 1 0 207.273 1.705 10 0 BDAERO O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@@H](F)C1 ZINC000409423054 343814712 /nfs/dbraw/zinc/81/47/12/343814712.db2.gz KYZMJCCNCFBDPS-ZJUUUORDSA-N 1 0 214.284 1.089 10 0 BDAERO COc1cccc([C@@H]2C[NH2+]C[C@@H]2CF)c1 ZINC000409423294 343815353 /nfs/dbraw/zinc/81/53/53/343815353.db2.gz PRCBWHQGYLDTLR-JQWIXIFHSA-N 1 0 209.264 1.968 10 0 BDAERO NC(=[NH2+])N1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409425482 343819180 /nfs/dbraw/zinc/81/91/80/343819180.db2.gz GCZCORFCBNIOQD-RQJHMYQMSA-N 1 0 203.236 1.247 10 0 BDAERO CCOC[C@H]1C[N@H+](CCN)CC12CCCCC2 ZINC000409425676 343820360 /nfs/dbraw/zinc/82/03/60/343820360.db2.gz BCHXTKZDPYZKPF-CYBMUJFWSA-N 1 0 240.391 1.864 10 0 BDAERO COC[C@@]12CN(C(=O)CC[NH3+])C[C@H]1CCCC2 ZINC000409426307 343821866 /nfs/dbraw/zinc/82/18/66/343821866.db2.gz BXWUHPZJHMBTFT-DGCLKSJQSA-N 1 0 240.347 1.000 10 0 BDAERO Cc1nc(NCCC(C)C)cc(OCC[NH3+])n1 ZINC000409431386 343823677 /nfs/dbraw/zinc/82/36/77/343823677.db2.gz RBVHICMYOKNAAH-UHFFFAOYSA-N 1 0 238.335 1.581 10 0 BDAERO C[NH2+]CC(=O)N1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409428624 343804104 /nfs/dbraw/zinc/80/41/04/343804104.db2.gz MRBIEBCJSNLTDN-DTWKUNHWSA-N 1 0 232.274 1.100 10 0 BDAERO CC1CCN(c2cc(OCC[NH3+])ncn2)CC1 ZINC000409429055 343804666 /nfs/dbraw/zinc/80/46/66/343804666.db2.gz AQOXBUPZPNJZAK-UHFFFAOYSA-N 1 0 236.319 1.050 10 0 BDAERO CCN1CCC2(C[C@H]3CC[C@@H](C2)[NH2+]3)OC1=O ZINC000409430867 343809088 /nfs/dbraw/zinc/80/90/88/343809088.db2.gz HZXSJXDYIDLLFO-DHHPTOIESA-N 1 0 224.304 1.502 10 0 BDAERO [NH3+]CCc1c(-c2cnccn2)n[nH]c1C1CC1 ZINC000409440573 343853057 /nfs/dbraw/zinc/85/30/57/343853057.db2.gz NKEMXMZIVPNQEA-UHFFFAOYSA-N 1 0 229.287 1.245 10 0 BDAERO Nc1cc(C(F)(F)F)nn1C[C@H]1CCCC[NH2+]1 ZINC000409441203 343855736 /nfs/dbraw/zinc/85/57/36/343855736.db2.gz XKHXYXQFXJWNFD-SSDOTTSWSA-N 1 0 248.252 1.626 10 0 BDAERO c1ncc(CN2CCC[N@@H+](C3CC3)CC2)s1 ZINC000179728749 346995222 /nfs/dbraw/zinc/99/52/22/346995222.db2.gz OLGXBPNUCQDPGR-UHFFFAOYSA-N 1 0 237.372 1.813 10 0 BDAERO CCOC[C@@H]1CN(C(=O)C[NH3+])CC12CCCC2 ZINC000409433739 343830350 /nfs/dbraw/zinc/83/03/50/343830350.db2.gz NHNQMZWDJUKUSN-NSHDSACASA-N 1 0 240.347 1.000 10 0 BDAERO CCO[C@@]1(C(F)(F)F)CCN(CCC[NH3+])C1 ZINC000409434553 343832119 /nfs/dbraw/zinc/83/21/19/343832119.db2.gz PUHSFJAWBULANT-VIFPVBQESA-N 1 0 240.269 1.379 10 0 BDAERO CC[NH2+][C@@H]1CCCc2sc(CO)nc21 ZINC000127214742 344041662 /nfs/dbraw/zinc/04/16/62/344041662.db2.gz PJNKVVPSZQEXTJ-SSDOTTSWSA-N 1 0 212.318 1.622 10 0 BDAERO O=[N+]([O-])c1ccc(C[C@H](O)[C@H]2CCC[NH2+]2)cc1 ZINC000215368743 349876089 /nfs/dbraw/zinc/87/60/89/349876089.db2.gz CBURWGINZWRUOM-NEPJUHHUSA-N 1 0 236.271 1.250 10 0 BDAERO c1ncn([C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000179570788 346989125 /nfs/dbraw/zinc/98/91/25/346989125.db2.gz YIIIKGFGFFZJDQ-NSHDSACASA-N 1 0 206.293 1.468 10 0 BDAERO [NH3+]CCc1cn(CCF)nc1-c1ccncc1 ZINC000409436960 343841849 /nfs/dbraw/zinc/84/18/49/343841849.db2.gz CRXOPUBZZQTBMJ-UHFFFAOYSA-N 1 0 234.278 1.416 10 0 BDAERO OCCn1nc([C@@H]2CCCC[NH2+]2)c2c1CCC2 ZINC000409437083 343842389 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CC(C)SCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000309459835 347067577 /nfs/dbraw/zinc/06/75/77/347067577.db2.gz OMESXLZRVLQJIT-ZJUUUORDSA-N 1 0 230.377 1.372 10 0 BDAERO O=[S@@]1CCC[NH2+][C@@H](C2CCCC2)C1 ZINC000158680761 344716524 /nfs/dbraw/zinc/71/65/24/344716524.db2.gz XQEWAWKDLXJLGF-MFKMUULPSA-N 1 0 201.335 1.287 10 0 BDAERO O=[S@]1CCC[NH2+][C@@H](C2CCCC2)C1 ZINC000158680475 344716680 /nfs/dbraw/zinc/71/66/80/344716680.db2.gz XQEWAWKDLXJLGF-ZWNOBZJWSA-N 1 0 201.335 1.287 10 0 BDAERO Cc1ccc(N)cc1NC[C@@H](C)[NH+](C)C ZINC000053735532 178710027 /nfs/dbraw/zinc/71/00/27/178710027.db2.gz NUQSISOPOAMAHG-SNVBAGLBSA-N 1 0 207.321 1.939 10 0 BDAERO C[C@@H](C[NH3+])Nc1nccc(C(C)(C)C)n1 ZINC000380287846 344791201 /nfs/dbraw/zinc/79/12/01/344791201.db2.gz AXBGVBIBTFKCCQ-QMMMGPOBSA-N 1 0 208.309 1.533 10 0 BDAERO O=C(N1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000062810279 347082311 /nfs/dbraw/zinc/08/23/11/347082311.db2.gz YHYMTHQDJLMSAU-HTQZYQBOSA-N 1 0 236.237 1.292 10 0 BDAERO C[C@@H](NC(=O)NCC[NH+](C)C)C(C)(C)C ZINC000133670929 344816907 /nfs/dbraw/zinc/81/69/07/344816907.db2.gz LWNBJQQQWXDBKJ-SECBINFHSA-N 1 0 215.341 1.282 10 0 BDAERO CC(C)(C)C(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675068870 537864002 /nfs/dbraw/zinc/86/40/02/537864002.db2.gz FHIIKYOYTDCHTM-GWOFURMSSA-N 1 0 224.348 1.522 10 0 BDAERO C[C@H]([NH3+])C(=O)Nc1cc(Cl)nc(Cl)n1 ZINC000235503211 344927430 /nfs/dbraw/zinc/92/74/30/344927430.db2.gz NYNKWBCXAXTLRJ-VKHMYHEASA-N 1 0 235.074 1.069 10 0 BDAERO C[C@H]1SCC[C@@]1(CN)[NH+]1CCCCC1 ZINC000235621726 344958945 /nfs/dbraw/zinc/95/89/45/344958945.db2.gz OUNAVTYMLHULMT-MNOVXSKESA-N 1 0 214.378 1.695 10 0 BDAERO C[C@H]1OCC[C@]1(C)NC1=[NH+]CCS1 ZINC000235637177 344961611 /nfs/dbraw/zinc/96/16/11/344961611.db2.gz ORVYSPHPZMTXES-APPZFPTMSA-N 1 0 200.307 1.246 10 0 BDAERO COc1cccc(C[NH2+][C@H]2CCC[C@H](O)C2)n1 ZINC000235003750 537883346 /nfs/dbraw/zinc/88/33/46/537883346.db2.gz FZOQNDZRFCIZPA-JQWIXIFHSA-N 1 0 236.315 1.483 10 0 BDAERO Nc1[nH+]ccn1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715390568 537883436 /nfs/dbraw/zinc/88/34/36/537883436.db2.gz FGTFVDFLNMIPFG-UWVGGRQHSA-N 1 0 207.277 1.423 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(F)c(F)c1F ZINC000044233015 344988160 /nfs/dbraw/zinc/98/81/60/344988160.db2.gz YLUQSZPRZNNUNP-ZETCQYMHSA-N 1 0 205.179 1.486 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1sccc1Br ZINC000044251488 344994742 /nfs/dbraw/zinc/99/47/42/344994742.db2.gz VVRVFJGWAMNALR-YFKPBYRVSA-N 1 0 249.133 1.386 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1cc(Cl)ccc1F ZINC000044255580 344995825 /nfs/dbraw/zinc/99/58/25/344995825.db2.gz ZWDNJIJDXVZSRO-QMMMGPOBSA-N 1 0 216.643 1.354 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000044254886 344995884 /nfs/dbraw/zinc/99/58/84/344995884.db2.gz QDMHMZLDVWFXDY-SCSAIBSYSA-N 1 0 239.127 1.930 10 0 BDAERO COc1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)n1 ZINC000235000441 537883180 /nfs/dbraw/zinc/88/31/80/537883180.db2.gz FZOQNDZRFCIZPA-PWSUYJOCSA-N 1 0 236.315 1.483 10 0 BDAERO C(CN1CCOC2(CCC2)C1)C[NH+]1CCCC1 ZINC000154360022 345027766 /nfs/dbraw/zinc/02/77/66/345027766.db2.gz QUVXZTCQFBZGRT-UHFFFAOYSA-N 1 0 238.375 1.727 10 0 BDAERO Cc1ccc(O[C@@H](C)C(N)=O)c([C@H](C)[NH3+])c1 ZINC000035629311 178817725 /nfs/dbraw/zinc/81/77/25/178817725.db2.gz CFBPBKXXUKOVLR-IUCAKERBSA-N 1 0 222.288 1.267 10 0 BDAERO [NH3+][C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000044466107 345082425 /nfs/dbraw/zinc/08/24/25/345082425.db2.gz ZJYBOKXQUMIBJQ-VIFPVBQESA-N 1 0 248.095 1.450 10 0 BDAERO COc1ccc(Br)c([C@H](N)C[NH3+])c1 ZINC000044470275 345085702 /nfs/dbraw/zinc/08/57/02/345085702.db2.gz UALNOARXEQNUOL-SECBINFHSA-N 1 0 245.120 1.416 10 0 BDAERO C[C@@H](C[NH3+])S(=O)(=O)c1ccc(Cl)cc1 ZINC000011896493 345057518 /nfs/dbraw/zinc/05/75/18/345057518.db2.gz KYNJCUALTJLHPT-ZETCQYMHSA-N 1 0 233.720 1.461 10 0 BDAERO CC[NH2+]C[C@H]1CN(Cc2ccccc2)CC[C@H]1O ZINC000248248264 345088356 /nfs/dbraw/zinc/08/83/56/345088356.db2.gz KRFQBCLKCBRFQB-LSDHHAIUSA-N 1 0 248.370 1.479 10 0 BDAERO CCOCCN1CC[N@H+](CC2CC2)C[C@@H]1CC ZINC000156167073 345131064 /nfs/dbraw/zinc/13/10/64/345131064.db2.gz VFFVKQJZJMYQRG-AWEZNQCLSA-N 1 0 240.391 1.829 10 0 BDAERO C[C@H]1C[N@H+](CC(C)(C)CO)[C@@H](C)CO1 ZINC000225328054 345142562 /nfs/dbraw/zinc/14/25/62/345142562.db2.gz XKHODVMOGSVAIY-UWVGGRQHSA-N 1 0 201.310 1.114 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2ccon2)C[C@H](C)O1 ZINC000634979658 345159915 /nfs/dbraw/zinc/15/99/15/345159915.db2.gz KYDNEAQLSILIIW-UWVGGRQHSA-N 1 0 224.304 1.968 10 0 BDAERO CCc1cnc(CN2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998459 345198350 /nfs/dbraw/zinc/19/83/50/345198350.db2.gz FZBFDZLBJQDTSG-VHSXEESVSA-N 1 0 239.388 1.732 10 0 BDAERO C[C@]1(CO)CCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000408465065 345312602 /nfs/dbraw/zinc/31/26/02/345312602.db2.gz HVXLIKBKAMGHSX-VXGBXAGGSA-N 1 0 227.348 1.432 10 0 BDAERO CCC(CC)CNC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000158909261 345389161 /nfs/dbraw/zinc/38/91/61/345389161.db2.gz ZLDSMRJHHIKWIU-ZDUSSCGKSA-N 1 0 226.364 1.929 10 0 BDAERO CCOCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159554391 345440884 /nfs/dbraw/zinc/44/08/84/345440884.db2.gz MTHZRILJYHFPQH-LBPRGKRZSA-N 1 0 228.336 1.061 10 0 BDAERO CCOC(=O)c1cccnc1NC[C@H](C)[NH3+] ZINC000082584562 345445018 /nfs/dbraw/zinc/44/50/18/345445018.db2.gz BNQXVEUHQCNIHA-QMMMGPOBSA-N 1 0 223.276 1.017 10 0 BDAERO CCOC(=O)c1cccnc1NC[C@@H](C)[NH3+] ZINC000082584561 345445126 /nfs/dbraw/zinc/44/51/26/345445126.db2.gz BNQXVEUHQCNIHA-MRVPVSSYSA-N 1 0 223.276 1.017 10 0 BDAERO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158963941 345392322 /nfs/dbraw/zinc/39/23/22/345392322.db2.gz SMJYTLNHMOWHAJ-SDDRHHMPSA-N 1 0 226.364 1.877 10 0 BDAERO Cc1ccc([C@@H](O)C[NH2+]CCN(C)C)cc1C ZINC000049828306 178865623 /nfs/dbraw/zinc/86/56/23/178865623.db2.gz KHDAVXXLAIFWET-AWEZNQCLSA-N 1 0 236.359 1.488 10 0 BDAERO [NH3+]CCN1C[C@@H](c2cnno2)Nc2ccccc21 ZINC000616691971 345545338 /nfs/dbraw/zinc/54/53/38/345545338.db2.gz GTZBFGRTYKXWON-JTQLQIEISA-N 1 0 245.286 1.002 10 0 BDAERO [NH3+]CCN1C[C@@H](c2ccon2)Nc2ccccc21 ZINC000616692741 345558600 /nfs/dbraw/zinc/55/86/00/345558600.db2.gz OYZLEDYEXCLIEW-LBPRGKRZSA-N 1 0 244.298 1.607 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](S(C)(=O)=O)C1 ZINC000054930208 345562637 /nfs/dbraw/zinc/56/26/37/345562637.db2.gz MOZFUAXFGJUUSO-KXUCPTDWSA-N 1 0 219.350 1.198 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](C(=O)Nc2cccnc2)CC1 ZINC000252891532 345592202 /nfs/dbraw/zinc/59/22/02/345592202.db2.gz KYLXQSSTAJYSGY-XYPYZODXSA-N 1 0 233.315 1.785 10 0 BDAERO CCOC(=O)[C@H](CC1CC[NH+](C)CC1)C(C)=O ZINC000137578216 345656028 /nfs/dbraw/zinc/65/60/28/345656028.db2.gz AEFGWRXPDHGSAH-GFCCVEGCSA-N 1 0 241.331 1.487 10 0 BDAERO CC(C)c1noc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000212608909 345739776 /nfs/dbraw/zinc/73/97/76/345739776.db2.gz DGOWWBOAXGGWJQ-VIFPVBQESA-N 1 0 224.308 1.368 10 0 BDAERO Fc1ccccc1C1(N[C@@H]2CC[NH2+]C2)CC1 ZINC000215640555 345742867 /nfs/dbraw/zinc/74/28/67/345742867.db2.gz FJXWXDFKJLEZMP-SNVBAGLBSA-N 1 0 220.291 1.766 10 0 BDAERO C=CC[NH2+][C@H](C)C(=O)NCCCc1ccccc1 ZINC000034147416 345818268 /nfs/dbraw/zinc/81/82/68/345818268.db2.gz JRVYXVRUEUJPNN-CYBMUJFWSA-N 1 0 246.354 1.900 10 0 BDAERO O[C@H]1CC[C@H]([NH2+]Cc2ccnc(Cl)n2)CC1 ZINC000257351181 345773704 /nfs/dbraw/zinc/77/37/04/345773704.db2.gz CMGNLDZJKDZSAF-CZMCAQCFSA-N 1 0 241.722 1.523 10 0 BDAERO CCNc1cc(N2CCCC[C@@H]2C[NH3+])ncn1 ZINC000258698164 345782708 /nfs/dbraw/zinc/78/27/08/345782708.db2.gz KGEWZLLTBBKJPF-SNVBAGLBSA-N 1 0 235.335 1.226 10 0 BDAERO Cc1ccc([C@]2(C)OC[C@@H](C[NH3+])O2)c(C)c1 ZINC000049818468 178925741 /nfs/dbraw/zinc/92/57/41/178925741.db2.gz JJFDLMXGSANTHV-DGCLKSJQSA-N 1 0 221.300 1.850 10 0 BDAERO COc1cccc2c1CC[NH2+][C@@H]2CN1CCCC1 ZINC000034426611 345832694 /nfs/dbraw/zinc/83/26/94/345832694.db2.gz ZSXWORDDSQLEBA-CQSZACIVSA-N 1 0 246.354 1.978 10 0 BDAERO [NH3+]CCCCc1ccc(OCCCO)cc1 ZINC000034604755 345836978 /nfs/dbraw/zinc/83/69/78/345836978.db2.gz DALGVQWXTSJZQT-UHFFFAOYSA-N 1 0 223.316 1.729 10 0 BDAERO CCc1cnc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)o1 ZINC000300404599 345838882 /nfs/dbraw/zinc/83/88/82/345838882.db2.gz HVPRDAHDJQNHAO-VXGBXAGGSA-N 1 0 249.358 1.906 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H](CC(=O)[C@H]2CCCO2)C1 ZINC000306723917 537916787 /nfs/dbraw/zinc/91/67/87/537916787.db2.gz HVKJEXCZZUHQIZ-CKYFFXLPSA-N 1 0 211.305 1.513 10 0 BDAERO CCOc1ccc(CN2CC([NH3+])C2)cc1 ZINC000083634532 345919436 /nfs/dbraw/zinc/91/94/36/345919436.db2.gz WESXDMRIFMCREZ-UHFFFAOYSA-N 1 0 206.289 1.228 10 0 BDAERO CC(C)[N@@H+]1CCc2nc(CO)sc2C1 ZINC000061801951 345953857 /nfs/dbraw/zinc/95/38/57/345953857.db2.gz BTSARJAORBEERY-UHFFFAOYSA-N 1 0 212.318 1.402 10 0 BDAERO Cc1occc1SC[C@H]1C[NH2+]CCO1 ZINC000235827885 345938940 /nfs/dbraw/zinc/93/89/40/345938940.db2.gz FSXXLTASHAABHO-SECBINFHSA-N 1 0 213.302 1.669 10 0 BDAERO CNc1cc(N2CCCC2)nc(C2CC2)[nH+]1 ZINC000087908871 345940119 /nfs/dbraw/zinc/94/01/19/345940119.db2.gz MBSPQJDCXNCQQD-UHFFFAOYSA-N 1 0 218.304 1.996 10 0 BDAERO Cc1nc(N2C[C@H](C)C[C@@H](C)C2)cc(N)[nH+]1 ZINC000087805631 345941260 /nfs/dbraw/zinc/94/12/60/345941260.db2.gz MEXMOMIMIZWBPD-RKDXNWHRSA-N 1 0 220.320 1.850 10 0 BDAERO C[C@H](C(=O)N1CC=CCN1)[NH+]1[C@H](C)CC[C@H]1C ZINC000628224698 345966365 /nfs/dbraw/zinc/96/63/65/345966365.db2.gz XDZNXBXRXMGTHP-IJLUTSLNSA-N 1 0 237.347 1.151 10 0 BDAERO Nc1cccc(-c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000082813780 537932857 /nfs/dbraw/zinc/93/28/57/537932857.db2.gz MGOCCSLWGQVKES-UHFFFAOYSA-N 1 0 214.272 1.305 10 0 BDAERO CC[NH2+]Cc1cc(Br)c[nH]1 ZINC000148362038 346061768 /nfs/dbraw/zinc/06/17/68/346061768.db2.gz AIEBQKMPQWVASU-UHFFFAOYSA-N 1 0 203.083 1.887 10 0 BDAERO CCCS(=O)(=O)C1CCC(C[NH3+])CC1 ZINC000685954994 537942779 /nfs/dbraw/zinc/94/27/79/537942779.db2.gz RJTDTDGOTODOEY-UHFFFAOYSA-N 1 0 219.350 1.329 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccnn1C1CCC1 ZINC000724492449 537953917 /nfs/dbraw/zinc/95/39/17/537953917.db2.gz VXWUUZLBBKQIBN-NSHDSACASA-N 1 0 209.293 1.251 10 0 BDAERO CC[C@H](O)[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061932727 346177305 /nfs/dbraw/zinc/17/73/05/346177305.db2.gz PCWDUSZGWYHZHH-MXWKQRLJSA-N 1 0 201.310 1.257 10 0 BDAERO Cc1ncsc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000084149276 537951980 /nfs/dbraw/zinc/95/19/80/537951980.db2.gz OTBWZYMWRPEIIR-ZJUUUORDSA-N 1 0 226.345 1.845 10 0 BDAERO Cc1ncsc1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000084149278 537952018 /nfs/dbraw/zinc/95/20/18/537952018.db2.gz OTBWZYMWRPEIIR-NXEZZACHSA-N 1 0 226.345 1.845 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H]1n1cnc(Br)c1 ZINC000669375183 537953249 /nfs/dbraw/zinc/95/32/49/537953249.db2.gz USRQDYKXAVUURU-BQBZGAKWSA-N 1 0 230.109 1.426 10 0 BDAERO C[N@@H+]1CC[C@](O)(c2cccc(Cl)c2)C1 ZINC000061986777 346186350 /nfs/dbraw/zinc/18/63/50/346186350.db2.gz LMJKTIZEJGDOSB-LLVKDONJSA-N 1 0 211.692 1.863 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H]1CCNC(=O)OC(C)(C)C ZINC000147614775 537954621 /nfs/dbraw/zinc/95/46/21/537954621.db2.gz LWHMXZHAXMXJDX-UWVGGRQHSA-N 1 0 228.336 1.757 10 0 BDAERO Cc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000082281563 179011633 /nfs/dbraw/zinc/01/16/33/179011633.db2.gz UPFUDUJKQDNNLS-CYBMUJFWSA-N 1 0 232.327 1.771 10 0 BDAERO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1O ZINC000310362335 179011748 /nfs/dbraw/zinc/01/17/48/179011748.db2.gz KRHRYAPWYKVNOR-GXSJLCMTSA-N 1 0 234.299 1.262 10 0 BDAERO C[NH2+]C[C@@H](C)c1nc2c(s1)COCC2 ZINC000167378195 346242022 /nfs/dbraw/zinc/24/20/22/346242022.db2.gz MWAJMZZZXDVCKR-SSDOTTSWSA-N 1 0 212.318 1.539 10 0 BDAERO C[C@@H](Nc1nc(C2CC2)ns1)[C@H](C)[NH3+] ZINC000307400159 229562813 /nfs/dbraw/zinc/56/28/13/229562813.db2.gz ZFMWSCYHSZYGOB-NTSWFWBYSA-N 1 0 212.322 1.563 10 0 BDAERO CSc1cnc([C@H](O)[C@@H](C)C[NH3+])s1 ZINC000669377632 537964925 /nfs/dbraw/zinc/96/49/25/537964925.db2.gz VMBWJFZJSPJDDX-CAHLUQPWSA-N 1 0 218.347 1.493 10 0 BDAERO CSc1cnc([C@@H](O)[C@H](C)C[NH3+])s1 ZINC000669377635 537964945 /nfs/dbraw/zinc/96/49/45/537964945.db2.gz VMBWJFZJSPJDDX-VDTYLAMSSA-N 1 0 218.347 1.493 10 0 BDAERO C[C@H](C[NH3+])[C@@H](O)c1ccncc1Br ZINC000669377696 537965476 /nfs/dbraw/zinc/96/54/76/537965476.db2.gz BQZWZOXYEDTNPC-HZGVNTEJSA-N 1 0 245.120 1.472 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000082327499 537968563 /nfs/dbraw/zinc/96/85/63/537968563.db2.gz SWXKQKRTYYRLEM-WDEREUQCSA-N 1 0 240.347 1.995 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000069677102 349952491 /nfs/dbraw/zinc/95/24/91/349952491.db2.gz AGMKTRYGIJAXGK-LNFKQOIKSA-N 1 0 212.337 1.535 10 0 BDAERO CC(C)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155550425 346349947 /nfs/dbraw/zinc/34/99/47/346349947.db2.gz GYGDZJNEWAKUAV-NEPJUHHUSA-N 1 0 226.364 1.877 10 0 BDAERO CCCNC(=O)N(C)CC[NH2+]C(C)C ZINC000669378548 537969526 /nfs/dbraw/zinc/96/95/26/537969526.db2.gz GHJCNDRYYSJQMC-UHFFFAOYSA-N 1 0 201.314 1.036 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000669379112 537974634 /nfs/dbraw/zinc/97/46/34/537974634.db2.gz XQOXHNFEQAMQTN-ZJUUUORDSA-N 1 0 227.352 1.328 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241220 537976531 /nfs/dbraw/zinc/97/65/31/537976531.db2.gz BNHDYEBGNVYNAP-NSHDSACASA-N 1 0 224.348 1.633 10 0 BDAERO C[C@](CC[NH3+])(NC(=O)C1(C)CC1)C(F)F ZINC000669379339 537977516 /nfs/dbraw/zinc/97/75/16/537977516.db2.gz CDDBPBITPUUJEV-SNVBAGLBSA-N 1 0 220.263 1.275 10 0 BDAERO CCC[C@@H](C)C(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669379258 537977543 /nfs/dbraw/zinc/97/75/43/537977543.db2.gz ASPIUKRUWBDNIO-KCJUWKMLSA-N 1 0 236.306 1.911 10 0 BDAERO COCCC[NH2+][C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000725241366 537979128 /nfs/dbraw/zinc/97/91/28/537979128.db2.gz DXJJSZAFPLDZGD-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CC(C)CNC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241305 537979352 /nfs/dbraw/zinc/97/93/52/537979352.db2.gz CYJWMODFNITEDH-UHFFFAOYSA-N 1 0 225.336 1.180 10 0 BDAERO CC(C)[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000669379374 537979625 /nfs/dbraw/zinc/97/96/25/537979625.db2.gz ZIKQKVBRPNLEFX-GRYCIOLGSA-N 1 0 226.364 1.722 10 0 BDAERO OC1CCN([C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241814 537980289 /nfs/dbraw/zinc/98/02/89/537980289.db2.gz QWNAINPHELQFCE-VXGBXAGGSA-N 1 0 224.348 1.070 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000252647428 537978914 /nfs/dbraw/zinc/97/89/14/537978914.db2.gz UFGHGXPWDNPGSC-JHJVBQTASA-N 1 0 226.364 1.485 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)C)C1 ZINC000170833809 346456282 /nfs/dbraw/zinc/45/62/82/346456282.db2.gz UWWZFLYFHDXZQA-SNVBAGLBSA-N 1 0 227.352 1.378 10 0 BDAERO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)no1 ZINC000170874814 346467470 /nfs/dbraw/zinc/46/74/70/346467470.db2.gz PKMSZNGLKMCCEQ-SECBINFHSA-N 1 0 238.291 1.151 10 0 BDAERO CCC(F)(F)CN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000641798252 362739988 /nfs/dbraw/zinc/73/99/88/362739988.db2.gz CWSWNRVGGRGBMS-NXEZZACHSA-N 1 0 234.290 1.094 10 0 BDAERO C[C@@H]1C[C@@]2(C[N@@H+]1C1CC1)NCCCS2 ZINC000229949712 346483626 /nfs/dbraw/zinc/48/36/26/346483626.db2.gz PXUCTXMYNIJBTH-MWLCHTKSSA-N 1 0 212.362 1.666 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1[C@H](C)COC[C@H]1C ZINC000161572067 346492753 /nfs/dbraw/zinc/49/27/53/346492753.db2.gz KSFAQTRQVIPVBG-GHMZBOCLSA-N 1 0 228.336 1.010 10 0 BDAERO C[NH2+]Cc1cnn(CC[C@@H]2COC(C)(C)O2)c1 ZINC000725241809 537981735 /nfs/dbraw/zinc/98/17/35/537981735.db2.gz QTONPCUTUYTZAB-LLVKDONJSA-N 1 0 239.319 1.144 10 0 BDAERO Cc1cccc(C[C@H]2C[NH2+]CC[C@H]2O)c1 ZINC000071509478 179106248 /nfs/dbraw/zinc/10/62/48/179106248.db2.gz BFVUDLQETVYXCS-QWHCGFSZSA-N 1 0 205.301 1.508 10 0 BDAERO CC(C)C(=O)N[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669379774 537983224 /nfs/dbraw/zinc/98/32/24/537983224.db2.gz CLFODILWEDLXMT-RXMQYKEDSA-N 1 0 248.195 1.284 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000187188761 346558319 /nfs/dbraw/zinc/55/83/19/346558319.db2.gz SIHVTQLSQQCBLT-RYUDHWBXSA-N 1 0 238.335 1.198 10 0 BDAERO CC[C@](O)(C[NH+]1CCCC1)C(F)(F)F ZINC000669379956 537982992 /nfs/dbraw/zinc/98/29/92/537982992.db2.gz NHZCDAISVKIJHG-QMMMGPOBSA-N 1 0 211.227 1.786 10 0 BDAERO [NH3+][C@H](Cc1ccncc1)c1cnns1 ZINC000163844432 346579136 /nfs/dbraw/zinc/57/91/36/346579136.db2.gz FCOIYXMOBZEPAU-MRVPVSSYSA-N 1 0 206.274 1.176 10 0 BDAERO C[C@H]1CSC(N[C@]2(C)CCOC2)=[NH+]1 ZINC000164054312 346588081 /nfs/dbraw/zinc/58/80/81/346588081.db2.gz QDRFAJDUNDYETA-IONNQARKSA-N 1 0 200.307 1.246 10 0 BDAERO Cc1cccc(N2C[C@H]([NH3+])CC2=O)c1C ZINC000020383239 179123791 /nfs/dbraw/zinc/12/37/91/179123791.db2.gz LXQVHUUDHCAZIX-SNVBAGLBSA-N 1 0 204.273 1.367 10 0 BDAERO C[C@H]([NH3+])[C@H](N1CCCCO1)C(C)(C)C ZINC000164194827 346595392 /nfs/dbraw/zinc/59/53/92/346595392.db2.gz UNQGKCUSDHGBDH-UWVGGRQHSA-N 1 0 200.326 1.776 10 0 BDAERO C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000164400363 346602919 /nfs/dbraw/zinc/60/29/19/346602919.db2.gz MPMNLNHDIACNPG-YPMHNXCESA-N 1 0 204.317 1.726 10 0 BDAERO Cc1cccc(N)c1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049551432 179119685 /nfs/dbraw/zinc/11/96/85/179119685.db2.gz VSEDDNZHVFLMBU-NSHDSACASA-N 1 0 249.358 1.647 10 0 BDAERO COC[C@H](C)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187332675 346568076 /nfs/dbraw/zinc/56/80/76/346568076.db2.gz UWWVKMGBNIGHOC-NEPJUHHUSA-N 1 0 237.347 1.492 10 0 BDAERO [NH3+]C1CCN(c2nc(Cl)cs2)CC1 ZINC000165283005 346646659 /nfs/dbraw/zinc/64/66/59/346646659.db2.gz JRJGDKHLQRANLR-UHFFFAOYSA-N 1 0 217.725 1.724 10 0 BDAERO Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000063174530 179136182 /nfs/dbraw/zinc/13/61/82/179136182.db2.gz AVPHXDBKUCJIQS-NWDGAFQWSA-N 1 0 233.315 1.996 10 0 BDAERO Cc1cccc(NC(=O)[C@@H](C)CC[NH3+])c1 ZINC000076583650 179137708 /nfs/dbraw/zinc/13/77/08/179137708.db2.gz NYXCBPLGEOMVKO-JTQLQIEISA-N 1 0 206.289 1.918 10 0 BDAERO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C)C2)c1 ZINC000042547576 179128820 /nfs/dbraw/zinc/12/88/20/179128820.db2.gz RPJNQMRYFIHWBL-CYBMUJFWSA-N 1 0 247.342 1.227 10 0 BDAERO Cc1cccc(NC(=O)C[NH2+][C@H]2CCN(C)C2)c1 ZINC000042547579 179128882 /nfs/dbraw/zinc/12/88/82/179128882.db2.gz RPJNQMRYFIHWBL-ZDUSSCGKSA-N 1 0 247.342 1.227 10 0 BDAERO C[C@@H]1CC[C@@H](N2C(=O)c3ccccc3C2=O)C[NH2+]1 ZINC000164786126 346625539 /nfs/dbraw/zinc/62/55/39/346625539.db2.gz PXRDPOUVFRMJHW-NXEZZACHSA-N 1 0 244.294 1.423 10 0 BDAERO Cn1cnc2c1[C@](C)(CC1CCC1)[NH2+]CC2 ZINC000725242750 537985335 /nfs/dbraw/zinc/98/53/35/537985335.db2.gz PVXMCUIPQAILPH-ZDUSSCGKSA-N 1 0 219.332 1.971 10 0 BDAERO Cc1cccc(NC[C@H]2CC[N@H+](CCCO)C2)n1 ZINC000171651462 179147615 /nfs/dbraw/zinc/14/76/15/179147615.db2.gz JFNNFODAYLYUHQ-CYBMUJFWSA-N 1 0 249.358 1.506 10 0 BDAERO Cc1cccc(N[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000040673497 179155503 /nfs/dbraw/zinc/15/55/03/179155503.db2.gz ZCJAFBUHOLQBOL-LLVKDONJSA-N 1 0 205.305 1.896 10 0 BDAERO Cn1cnc2c1[C@@](C)(CC1CC1)[NH2+]CC2 ZINC000725242534 537986123 /nfs/dbraw/zinc/98/61/23/537986123.db2.gz CKJJFLWEMJHQPP-GFCCVEGCSA-N 1 0 205.305 1.581 10 0 BDAERO C1C[C@H](N2CCC[C@@H]3C[NH2+]C[C@H]32)CS1 ZINC000299893451 347150903 /nfs/dbraw/zinc/15/09/03/347150903.db2.gz LJIXFYUVSQOBFD-OUAUKWLOSA-N 1 0 212.362 1.176 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)C1CC1 ZINC000165303997 133648231 /nfs/dbraw/zinc/64/82/31/133648231.db2.gz VPAFITMQECIRRO-ZWNOBZJWSA-N 1 0 224.348 1.238 10 0 BDAERO Cc1cccc([C@@H](N)C[NH3+])c1Br ZINC000072201222 179184909 /nfs/dbraw/zinc/18/49/09/179184909.db2.gz CKVUQQTVFYCJHJ-QMMMGPOBSA-N 1 0 229.121 1.716 10 0 BDAERO c1nc2c([nH]1)[C@]1(C[C@@H]3CCC[C@@H]31)[NH2+]CC2 ZINC000725242903 537988051 /nfs/dbraw/zinc/98/80/51/537988051.db2.gz VWRAIKALEBQLGH-HOTUBEGUSA-N 1 0 203.289 1.571 10 0 BDAERO c1cc2c(s1)CC[NH2+][C@@]21C[C@@H]2COC[C@@H]21 ZINC000725242891 537988101 /nfs/dbraw/zinc/98/81/01/537988101.db2.gz SRHFOJQKGJYICU-QRTLGDNMSA-N 1 0 221.325 1.755 10 0 BDAERO CN(Cc1ccccc1)[C@H]1CCC[C@H]1[NH3+] ZINC000250243640 362797358 /nfs/dbraw/zinc/79/73/58/362797358.db2.gz RZVSOYGQEATDPB-OLZOCXBDSA-N 1 0 204.317 1.998 10 0 BDAERO Cc1nc(C)n([C@@H](C[NH3+])c2cccc(C)c2)n1 ZINC000042967860 179200074 /nfs/dbraw/zinc/20/00/74/179200074.db2.gz YIFQJDXVPPRABB-ZDUSSCGKSA-N 1 0 230.315 1.751 10 0 BDAERO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCC(O)CC2)c1 ZINC000042965535 179203380 /nfs/dbraw/zinc/20/33/80/179203380.db2.gz ULPGOYGYUWCLID-DOMZBBRYSA-N 1 0 248.370 1.840 10 0 BDAERO CC1CC(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000581483431 347311616 /nfs/dbraw/zinc/31/16/16/347311616.db2.gz LUZZEYHIKKMGOF-XQEWSXQJSA-N 1 0 222.332 1.228 10 0 BDAERO C[C@@H](C[NH2+]CCN(C)C)c1ccccc1 ZINC000020083525 347406532 /nfs/dbraw/zinc/40/65/32/347406532.db2.gz KCMZESDPERHUMC-LBPRGKRZSA-N 1 0 206.333 1.941 10 0 BDAERO CSCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000193885194 347407311 /nfs/dbraw/zinc/40/73/11/347407311.db2.gz JMDFSFMPBBYMGX-WDEREUQCSA-N 1 0 215.362 1.993 10 0 BDAERO Cc1cccc2c1ncn2CC1=[NH+]CCN1 ZINC000073198092 179225268 /nfs/dbraw/zinc/22/52/68/179225268.db2.gz DZHVMYHLRMNWSH-UHFFFAOYSA-N 1 0 214.272 1.346 10 0 BDAERO [NH3+]Cc1cnc([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000393812413 347363932 /nfs/dbraw/zinc/36/39/32/347363932.db2.gz YBDBKUBQHJLROK-UHFFFAOYSA-N 1 0 237.137 1.347 10 0 BDAERO O=C1CCC[C@@H]1[N@H+]1CCCC[C@H]1CCO ZINC000250796052 362822153 /nfs/dbraw/zinc/82/21/53/362822153.db2.gz AMKWBIWVFZYJQK-QWRGUYRKSA-N 1 0 211.305 1.345 10 0 BDAERO CCc1c(Cl)nc[nH+]c1NN(C)C ZINC000149621605 347381902 /nfs/dbraw/zinc/38/19/02/347381902.db2.gz RJTRPWRKHXPJAX-UHFFFAOYSA-N 1 0 200.673 1.581 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCSC[C@@H]1C ZINC000193250926 347393632 /nfs/dbraw/zinc/39/36/32/347393632.db2.gz PDIXUCXYBRIBIZ-RYUDHWBXSA-N 1 0 247.404 1.601 10 0 BDAERO N[C@]1(c2ncon2)CC[N@H+](Cc2ccccc2)C1 ZINC000036761913 347451197 /nfs/dbraw/zinc/45/11/97/347451197.db2.gz WMNSXGYVENYNMB-CYBMUJFWSA-N 1 0 244.298 1.130 10 0 BDAERO OC[C@@H]1CC[N@H+](C[C@H]2CCCS2)C1 ZINC000251090069 362837446 /nfs/dbraw/zinc/83/74/46/362837446.db2.gz IEMTUJLKQJCZDE-NXEZZACHSA-N 1 0 201.335 1.196 10 0 BDAERO O=C1CCCC[C@@H]1[N@H+]1CCCC[C@H]1CO ZINC000250977082 362829014 /nfs/dbraw/zinc/82/90/14/362829014.db2.gz AXKBJYQZIPTIQS-QWRGUYRKSA-N 1 0 211.305 1.345 10 0 BDAERO Cc1ccc(F)cc1N1C[C@H](C[NH3+])OC1=O ZINC000616568525 347447883 /nfs/dbraw/zinc/44/78/83/347447883.db2.gz JWQFLNVAGMFQES-VIFPVBQESA-N 1 0 224.235 1.418 10 0 BDAERO Cc1ccccc1C(=O)NC1CC([NH3+])C1 ZINC000036237073 179249888 /nfs/dbraw/zinc/24/98/88/179249888.db2.gz UXWDQMLEAIRGTG-UHFFFAOYSA-N 1 0 204.273 1.215 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CCCC1 ZINC000616569064 347521842 /nfs/dbraw/zinc/52/18/42/347521842.db2.gz FZACUGNNOVIJKZ-ZYHUDNBSSA-N 1 0 224.348 1.681 10 0 BDAERO Cc1ccccc1CC(=O)[C@H]1CCC[NH2+]1 ZINC000041211763 179260534 /nfs/dbraw/zinc/26/05/34/179260534.db2.gz LOCZKXMQLKMNDT-GFCCVEGCSA-N 1 0 203.285 1.859 10 0 BDAERO Cc1ccccc1CCN1CCC[C@@H]([NH3+])C1 ZINC000057939515 179262924 /nfs/dbraw/zinc/26/29/24/179262924.db2.gz LMYIIQZDVACHSC-CQSZACIVSA-N 1 0 218.344 1.961 10 0 BDAERO Cc1ccccc1CCN1C[C@@H](C[NH3+])CC1=O ZINC000077364388 179264117 /nfs/dbraw/zinc/26/41/17/179264117.db2.gz VCRWFLUVUKLZEL-GFCCVEGCSA-N 1 0 232.327 1.345 10 0 BDAERO Cc1ccccc1CCN1CC[NH2+][C@@H](C)C1 ZINC000077327326 179264541 /nfs/dbraw/zinc/26/45/41/179264541.db2.gz MBSYFVZDUALTGN-ZDUSSCGKSA-N 1 0 218.344 1.831 10 0 BDAERO Cc1ccccc1CN1CCC[NH2+][C@H](C)C1=O ZINC000063215097 179273843 /nfs/dbraw/zinc/27/38/43/179273843.db2.gz YSPJKFNBHXSHEK-GFCCVEGCSA-N 1 0 232.327 1.705 10 0 BDAERO CC(C)[S@](=N)(=O)C1CC[NH+](C)CC1 ZINC000616569461 347699541 /nfs/dbraw/zinc/69/95/41/347699541.db2.gz UPGJYKPNYVAVBF-ZDUSSCGKSA-N 1 0 204.339 1.536 10 0 BDAERO [NH3+]CC[C@@H]1C(=O)Nc2c1ccc(F)c2F ZINC000616569472 347699636 /nfs/dbraw/zinc/69/96/36/347699636.db2.gz LOTGKRKJWRMXCU-LURJTMIESA-N 1 0 212.199 1.349 10 0 BDAERO Cc1ccccc1CN1C[C@H](C[NH3+])CC1=O ZINC000019669304 179276708 /nfs/dbraw/zinc/27/67/08/179276708.db2.gz UTHQMIYCLSZKAF-NSHDSACASA-N 1 0 218.300 1.302 10 0 BDAERO Cc1ccccc1CNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104209701 179279073 /nfs/dbraw/zinc/27/90/73/179279073.db2.gz KUDFKIKIGUZTON-AAEUAGOBSA-N 1 0 232.327 1.467 10 0 BDAERO Cc1ccccc1CS(=O)(=O)CCCC[NH3+] ZINC000058251575 179286878 /nfs/dbraw/zinc/28/68/78/179286878.db2.gz FMPUFGJOAXIRRF-UHFFFAOYSA-N 1 0 241.356 1.649 10 0 BDAERO C=CC(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616569709 347806203 /nfs/dbraw/zinc/80/62/03/347806203.db2.gz CFKULODLOJHCLA-UHFFFAOYSA-N 1 0 210.321 1.314 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000616569617 347806863 /nfs/dbraw/zinc/80/68/63/347806863.db2.gz BCYSEBSVLRACGU-TUAOUCFPSA-N 1 0 224.348 1.631 10 0 BDAERO Cc1ccccc1[C@H](C(CO)CO)[NH+](C)C ZINC000196151570 347810885 /nfs/dbraw/zinc/81/08/85/347810885.db2.gz HTJPHQDBXXDOHA-ZDUSSCGKSA-N 1 0 223.316 1.199 10 0 BDAERO Cc1ccccc1C[C@H](O)[C@@H]1CCC[NH2+]C1 ZINC000041232870 179292238 /nfs/dbraw/zinc/29/22/38/179292238.db2.gz GIEABJNJEUYXCA-KGLIPLIRSA-N 1 0 219.328 1.898 10 0 BDAERO Cc1ccccc1C[C@H](O)C1CC[NH2+]CC1 ZINC000041232866 179292343 /nfs/dbraw/zinc/29/23/43/179292343.db2.gz ZFTPGONHIQWCER-AWEZNQCLSA-N 1 0 219.328 1.898 10 0 BDAERO CC[C@H]1CCN(C(=O)C2CCCC2)C[C@@H]1[NH3+] ZINC000616569789 347832979 /nfs/dbraw/zinc/83/29/79/347832979.db2.gz KERZJYVFOUODKU-JQWIXIFHSA-N 1 0 224.348 1.762 10 0 BDAERO CC[C@H](O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000308565101 347871386 /nfs/dbraw/zinc/87/13/86/347871386.db2.gz YANVYMAERAPVFK-VHSXEESVSA-N 1 0 203.326 1.144 10 0 BDAERO OC[C@@]1(c2cccc(F)c2F)CC[NH2+]C1 ZINC000616569967 347880563 /nfs/dbraw/zinc/88/05/63/347880563.db2.gz BIDLDEFHJAGYKB-LLVKDONJSA-N 1 0 213.227 1.188 10 0 BDAERO Cc1ccccc1OCC[NH2+]CCN(C)C ZINC000041241321 179310946 /nfs/dbraw/zinc/31/09/46/179310946.db2.gz YJMFWKHLYCZFND-UHFFFAOYSA-N 1 0 222.332 1.525 10 0 BDAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCOCC1 ZINC000043033286 179328373 /nfs/dbraw/zinc/32/83/73/179328373.db2.gz KAWNVLZWFVEUGW-GXTWGEPZSA-N 1 0 234.343 1.716 10 0 BDAERO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037163674 348027783 /nfs/dbraw/zinc/02/77/83/348027783.db2.gz DJFIWUAMQIZICV-VXGBXAGGSA-N 1 0 237.347 1.430 10 0 BDAERO C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[C@H]1CO ZINC000308646760 347989077 /nfs/dbraw/zinc/98/90/77/347989077.db2.gz IAAQZFUMTLLCRF-DVVUODLYSA-N 1 0 211.330 1.650 10 0 BDAERO C/C=C/C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616570624 348079303 /nfs/dbraw/zinc/07/93/03/348079303.db2.gz NTMBXHZODBKSDL-QVUUGQCCSA-N 1 0 244.338 1.824 10 0 BDAERO Cc1ccccc1[C@H]([NH3+])CN1CCO[C@H](C)C1 ZINC000023070593 179344148 /nfs/dbraw/zinc/34/41/48/179344148.db2.gz GGFYRMWTTUKLMI-TZMCWYRMSA-N 1 0 234.343 1.716 10 0 BDAERO Cc1ccccc1[C@H](O)CC[N@@H+]1CC[C@H](O)C1 ZINC000061712172 179345252 /nfs/dbraw/zinc/34/52/52/179345252.db2.gz JUGIXCCOFXDJQY-GXTWGEPZSA-N 1 0 235.327 1.485 10 0 BDAERO O=C(N[C@@]12CC[C@H]1C[NH2+]C2)C1CCCCC1 ZINC000616571181 348173376 /nfs/dbraw/zinc/17/33/76/348173376.db2.gz FEDDKUGBJAFHCS-WCQYABFASA-N 1 0 222.332 1.435 10 0 BDAERO CCSC1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000595260085 348206230 /nfs/dbraw/zinc/20/62/30/348206230.db2.gz UFATYMYRNQBYFG-ZJUUUORDSA-N 1 0 242.388 1.516 10 0 BDAERO CC(C)c1nc([C@@H]2CC[NH2+]C2)cc(=O)[nH]1 ZINC000669381969 538000469 /nfs/dbraw/zinc/00/04/69/538000469.db2.gz CBMDZQMAZQNSIN-MRVPVSSYSA-N 1 0 207.277 1.383 10 0 BDAERO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037321413 348319952 /nfs/dbraw/zinc/31/99/52/348319952.db2.gz IFFDJOXKDQNAID-STQMWFEESA-N 1 0 248.326 1.179 10 0 BDAERO C[C@@H]1CC[C@@H]([C@@H]2[NH2+][C@H](C)CCS2)O1 ZINC000251761547 362909242 /nfs/dbraw/zinc/90/92/42/362909242.db2.gz UEOBAWXJTWGIMP-DOLQZWNJSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+][C@H](C)CC[S@@](=O)[C@H]2C1 ZINC000251788199 362919030 /nfs/dbraw/zinc/91/90/30/362919030.db2.gz LKWDELZYDNCXAO-NPIHSRPLSA-N 1 0 215.362 1.674 10 0 BDAERO O=C(N[C@@H]1CCC[C@H]2C[NH2+]CC[C@H]21)C1CC1 ZINC000669382006 538003324 /nfs/dbraw/zinc/00/33/24/538003324.db2.gz DRPRNMPNQCTYHB-QJPTWQEYSA-N 1 0 222.332 1.291 10 0 BDAERO Cc1ccnc(N2CCC[C@@H](C[NH2+]C3CC3)C2)n1 ZINC000061860000 179430559 /nfs/dbraw/zinc/43/05/59/179430559.db2.gz KWACFQUHBZFRKO-LBPRGKRZSA-N 1 0 246.358 1.753 10 0 BDAERO Cc1ccnc(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC000061860018 179433486 /nfs/dbraw/zinc/43/34/86/179433486.db2.gz HCENXIWZECQYDS-WDEREUQCSA-N 1 0 220.320 1.349 10 0 BDAERO COC(=O)[C@]1(Cl)O[C@@]12CCC[C@@H]([NH+](C)C)C2 ZINC000669382702 538004818 /nfs/dbraw/zinc/00/48/18/538004818.db2.gz JMVDZDXPSSMDIY-IEBDPFPHSA-N 1 0 247.722 1.368 10 0 BDAERO COC(=O)[C@]1(Cl)O[C@]12CCC[C@H]([NH+](C)C)C2 ZINC000669382703 538005098 /nfs/dbraw/zinc/00/50/98/538005098.db2.gz JMVDZDXPSSMDIY-LSJOCFKGSA-N 1 0 247.722 1.368 10 0 BDAERO C[C@@H]([NH3+])C[S@](=O)c1ccc(F)c(Cl)c1 ZINC000227958137 348564629 /nfs/dbraw/zinc/56/46/29/348564629.db2.gz VLXCSNLOGLEXLB-RCNPXXIZSA-N 1 0 235.711 1.934 10 0 BDAERO Cc1cnc(=O)n(CC[NH2+]C2CCCCCC2)c1 ZINC000063050566 179570244 /nfs/dbraw/zinc/57/02/44/179570244.db2.gz WPHKPICPNXQODE-UHFFFAOYSA-N 1 0 249.358 1.864 10 0 BDAERO Cc1n[nH]c(=S)n1C[C@@H]1CC[N@@H+](C)C1 ZINC000037485215 348621563 /nfs/dbraw/zinc/62/15/63/348621563.db2.gz SYLOZORWHOEQSJ-MRVPVSSYSA-N 1 0 212.322 1.201 10 0 BDAERO CSC1(C[NH2+]C[C@@H]2CC(=O)N(C)C2)CCC1 ZINC000597213864 348681376 /nfs/dbraw/zinc/68/13/76/348681376.db2.gz PNCLULCWWWGKBZ-JTQLQIEISA-N 1 0 242.388 1.340 10 0 BDAERO COc1cc2c(cc1OC)[C@]1(C[C@H]1[NH3+])CN2 ZINC000725247131 538010725 /nfs/dbraw/zinc/01/07/25/538010725.db2.gz INFBBXKMQRNMIE-NEPJUHHUSA-N 1 0 220.272 1.098 10 0 BDAERO Cc1cnccc1-c1nnc(CCC[NH3+])o1 ZINC000083349364 179687894 /nfs/dbraw/zinc/68/78/94/179687894.db2.gz WIGBWKHVBAQBSJ-UHFFFAOYSA-N 1 0 218.260 1.331 10 0 BDAERO COc1cc2c(cc1F)[C@]1(C[C@@H]1[NH3+])CN2 ZINC000725247633 538012808 /nfs/dbraw/zinc/01/28/08/538012808.db2.gz SNHFPBAKCHRYHS-QWRGUYRKSA-N 1 0 208.236 1.229 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000054074972 348876864 /nfs/dbraw/zinc/87/68/64/348876864.db2.gz ONMRJRUKYLHIFR-MRVPVSSYSA-N 1 0 242.269 1.531 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)CCC(C)C ZINC000054072418 348888522 /nfs/dbraw/zinc/88/85/22/348888522.db2.gz MRZYXLFZCTZZGD-VHSXEESVSA-N 1 0 200.326 1.535 10 0 BDAERO CCOc1cc(F)ccc1NC(=O)[C@@H](C)[NH2+]C ZINC000054074322 348889320 /nfs/dbraw/zinc/88/93/20/348889320.db2.gz ZVKAOLQGNWHIBJ-MRVPVSSYSA-N 1 0 240.278 1.771 10 0 BDAERO c1cnc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)cn1 ZINC000054301466 348978495 /nfs/dbraw/zinc/97/84/95/348978495.db2.gz FXNYEBGXVCQNBV-VIFPVBQESA-N 1 0 245.286 1.069 10 0 BDAERO CCCCN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054289991 348961535 /nfs/dbraw/zinc/96/15/35/348961535.db2.gz MRYBZDCXFKIJQP-NSHDSACASA-N 1 0 212.337 1.635 10 0 BDAERO CC(C)CN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290727 348962899 /nfs/dbraw/zinc/96/28/99/348962899.db2.gz XTPDEMXPYDXWDJ-LLVKDONJSA-N 1 0 212.337 1.491 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000070624114 490227084 /nfs/dbraw/zinc/22/70/84/490227084.db2.gz NJCKUOWPYKEDGY-MXWKQRLJSA-N 1 0 201.310 1.305 10 0 BDAERO C=CC(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616573776 349073122 /nfs/dbraw/zinc/07/31/22/349073122.db2.gz SZPBSTSDIQIPGO-SECBINFHSA-N 1 0 204.273 1.509 10 0 BDAERO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+]C ZINC000055421611 349093621 /nfs/dbraw/zinc/09/36/21/349093621.db2.gz IMPFREXOGKRIJE-LLVKDONJSA-N 1 0 220.316 1.643 10 0 BDAERO CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616572903 349063626 /nfs/dbraw/zinc/06/36/26/349063626.db2.gz XJNMOUCNVNZVQN-QWHCGFSZSA-N 1 0 218.300 1.268 10 0 BDAERO C/C=C(/C)C(=O)N1CC[C@H](CC)[C@@H]([NH3+])C1 ZINC000616572877 349063768 /nfs/dbraw/zinc/06/37/68/349063768.db2.gz XDVGIYOSGWNOKZ-XXLCQIKASA-N 1 0 210.321 1.538 10 0 BDAERO [NH3+][C@]12CC[C@@H]1CN(C(=O)C1CCCCC1)C2 ZINC000616572835 349063857 /nfs/dbraw/zinc/06/38/57/349063857.db2.gz PIUJVQVTPWXZPS-YPMHNXCESA-N 1 0 222.332 1.516 10 0 BDAERO CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616572991 349064369 /nfs/dbraw/zinc/06/43/69/349064369.db2.gz VTUWDBIEUSFBLL-NKWVEPMBSA-N 1 0 224.226 1.053 10 0 BDAERO CCCC(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616572243 349065670 /nfs/dbraw/zinc/06/56/70/349065670.db2.gz QKZJYVKVFQCVGG-UHFFFAOYSA-N 1 0 226.364 1.929 10 0 BDAERO COCCC(=O)Nc1ccc(C)c(C[NH3+])c1C ZINC000616572419 349065956 /nfs/dbraw/zinc/06/59/56/349065956.db2.gz MIKCKRCYRDZFMX-UHFFFAOYSA-N 1 0 236.315 1.737 10 0 BDAERO COC(=O)CCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000599290389 349148132 /nfs/dbraw/zinc/14/81/32/349148132.db2.gz UYKUCPLULJWTEB-GFCCVEGCSA-N 1 0 240.347 1.110 10 0 BDAERO O=C1NCCC[C@@H]2[NH2+][C@H](c3ccc(F)cc3)C[C@@H]12 ZINC000616578216 349123846 /nfs/dbraw/zinc/12/38/46/349123846.db2.gz KIOTUPVNGBLCJC-AGIUHOORSA-N 1 0 248.301 1.755 10 0 BDAERO Cc1csc(=O)n1C[C@H]1CCCC[NH2+]1 ZINC000043494314 179763263 /nfs/dbraw/zinc/76/32/63/179763263.db2.gz DKMNOUZPIQQVMU-SECBINFHSA-N 1 0 212.318 1.360 10 0 BDAERO COC(=O)CCCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000599299707 349141007 /nfs/dbraw/zinc/14/10/07/349141007.db2.gz NJIJKAYRQZASNE-QWRGUYRKSA-N 1 0 229.320 1.439 10 0 BDAERO COC(=O)CCCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000599440879 349178664 /nfs/dbraw/zinc/17/86/64/349178664.db2.gz UNFNUWFTSKWOTJ-GHMZBOCLSA-N 1 0 229.320 1.175 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000251039289 349181976 /nfs/dbraw/zinc/18/19/76/349181976.db2.gz NQANLEYRZJBWMK-ADEWGFFLSA-N 1 0 218.300 1.267 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000251976487 349194380 /nfs/dbraw/zinc/19/43/80/349194380.db2.gz YLDCMDHQRJBMDD-UKKRHICBSA-N 1 0 212.337 1.535 10 0 BDAERO Cn1c2cccc(N)c2c2c1C[NH2+]CC2 ZINC000725253784 538039682 /nfs/dbraw/zinc/03/96/82/538039682.db2.gz LNYRRPZHFZFDSB-UHFFFAOYSA-N 1 0 201.273 1.406 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccnn1[C@@H](C)CC ZINC000725253689 538039792 /nfs/dbraw/zinc/03/97/92/538039792.db2.gz VXOMTQUZTUVRDM-GXSJLCMTSA-N 1 0 211.309 1.497 10 0 BDAERO C[NH+](C)CCc1nc2c(s1)CCCC2=O ZINC000167943603 349375042 /nfs/dbraw/zinc/37/50/42/349375042.db2.gz QMXSATGGVCWEDW-UHFFFAOYSA-N 1 0 224.329 1.766 10 0 BDAERO Cc1nc(C)n(-c2ccc(C[NH3+])cc2Cl)n1 ZINC000062793216 179921244 /nfs/dbraw/zinc/92/12/44/179921244.db2.gz HHMXWLZSDSGALR-UHFFFAOYSA-N 1 0 236.706 1.996 10 0 BDAERO Cc1nc(C)n([C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])n1 ZINC000042915997 179922934 /nfs/dbraw/zinc/92/29/34/179922934.db2.gz VVXMYVXTECDQLZ-AMIZOPFISA-N 1 0 248.305 1.971 10 0 BDAERO Cc1nc(CN(C)C(=O)[C@H](C)C[NH3+])cs1 ZINC000054345452 179945602 /nfs/dbraw/zinc/94/56/02/179945602.db2.gz COYXPPSDQPGEIR-SSDOTTSWSA-N 1 0 227.333 1.005 10 0 BDAERO CCCCNC(=O)NC[C@@H]([NH3+])C1CCCCC1 ZINC000725254888 538049371 /nfs/dbraw/zinc/04/93/71/538049371.db2.gz IRDZNYUXWKGXIF-GFCCVEGCSA-N 1 0 241.379 1.993 10 0 BDAERO CN(C(=O)[C@@]1(C)CCC[NH2+]1)C1CCCC1 ZINC000070652830 350039076 /nfs/dbraw/zinc/03/90/76/350039076.db2.gz GSQDMVSHTYYHSX-GFCCVEGCSA-N 1 0 210.321 1.530 10 0 BDAERO CC(C)Oc1cncc(N[C@H](C)C[NH3+])n1 ZINC000070652154 350039370 /nfs/dbraw/zinc/03/93/70/350039370.db2.gz GOVHENNIENMFNX-MRVPVSSYSA-N 1 0 210.281 1.023 10 0 BDAERO Cc1nc(COC[C@@H]2CCCC[NH2+]2)no1 ZINC000051815676 179978789 /nfs/dbraw/zinc/97/87/89/179978789.db2.gz GEOJOYZXORTULB-VIFPVBQESA-N 1 0 211.265 1.037 10 0 BDAERO Cc1nc(N2CCOC(C)(C)C2)sc1C[NH3+] ZINC000054997836 180002194 /nfs/dbraw/zinc/00/21/94/180002194.db2.gz FIPWQTIGXPOQLU-UHFFFAOYSA-N 1 0 241.360 1.525 10 0 BDAERO Cc1nc(N2CC[C@@H](C)C2)sc1C[NH3+] ZINC000054998406 180003959 /nfs/dbraw/zinc/00/39/59/180003959.db2.gz BALFOIBDKZZFKB-SSDOTTSWSA-N 1 0 211.334 1.756 10 0 BDAERO Cc1[nH+]c(NCc2ccccn2)ccc1N ZINC000082533975 180020595 /nfs/dbraw/zinc/02/05/95/180020595.db2.gz JVDGBGFQNOXKEY-UHFFFAOYSA-N 1 0 214.272 1.979 10 0 BDAERO Cc1[nH+]c(NN)ccc1-c1ccncc1 ZINC000039474434 180020638 /nfs/dbraw/zinc/02/06/38/180020638.db2.gz IPDOFTMXEYYCIW-UHFFFAOYSA-N 1 0 200.245 1.738 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CNC(=O)NC1CCCC1 ZINC000725255062 538049841 /nfs/dbraw/zinc/04/98/41/538049841.db2.gz QEMSZZUWKBCGGM-GXSJLCMTSA-N 1 0 227.352 1.602 10 0 BDAERO Cc1nc([C@@H](C)[NH3+])sc1C(=O)N(C)C ZINC000011886818 180032952 /nfs/dbraw/zinc/03/29/52/180032952.db2.gz QTSBHILSNWJBFL-RXMQYKEDSA-N 1 0 213.306 1.173 10 0 BDAERO C[C@](N)(C[NH3+])COc1ccc(F)c(F)c1 ZINC000219121930 350114149 /nfs/dbraw/zinc/11/41/49/350114149.db2.gz NIIVYAVIRMPYLZ-JTQLQIEISA-N 1 0 216.231 1.020 10 0 BDAERO C[S@](=O)C[C@@H]([NH3+])CCCc1ccccc1 ZINC000725255398 538051992 /nfs/dbraw/zinc/05/19/92/538051992.db2.gz AOLQZYLDCZHBJF-WFASDCNBSA-N 1 0 225.357 1.715 10 0 BDAERO Cc1nc([C@@H]2CCC[NH2+]2)sc1CCO ZINC000083379879 180042564 /nfs/dbraw/zinc/04/25/64/180042564.db2.gz DKSPYKLKOADOAX-QMMMGPOBSA-N 1 0 212.318 1.411 10 0 BDAERO CC(C)(CO)[C@@H]([NH3+])c1ccc2[nH]ccc2n1 ZINC000089221291 191020527 /nfs/dbraw/zinc/02/05/27/191020527.db2.gz PXZLRWRUODZERE-NSHDSACASA-N 1 0 219.288 1.581 10 0 BDAERO Cc1nc([C@H]2CCOC2)sc1[C@H](C)[NH3+] ZINC000051691376 180057048 /nfs/dbraw/zinc/05/70/48/180057048.db2.gz XALVYOWRPCFADW-XPUUQOCRSA-N 1 0 212.318 1.975 10 0 BDAERO Cc1ccc2c(c1)C1(C[NH2+]C1)OC(=O)N2 ZINC000725255601 538053088 /nfs/dbraw/zinc/05/30/88/538053088.db2.gz FVKULENBXIJUPD-UHFFFAOYSA-N 1 0 204.229 1.356 10 0 BDAERO Cc1nc2c(C)cccn2c1CN1CC[NH2+]CC1 ZINC000031933317 180063749 /nfs/dbraw/zinc/06/37/49/180063749.db2.gz YSKGAFZUHCVCKO-UHFFFAOYSA-N 1 0 244.342 1.356 10 0 BDAERO Cc1nc2cc(NCCC[NH3+])ccc2o1 ZINC000082593463 180084323 /nfs/dbraw/zinc/08/43/23/180084323.db2.gz ZLUHCDIOYRMKQQ-UHFFFAOYSA-N 1 0 205.261 1.897 10 0 BDAERO C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)N(C)C1CC1 ZINC000304248910 350150409 /nfs/dbraw/zinc/15/04/09/350150409.db2.gz QHQHOFGKUPLWQO-CMPLNLGQSA-N 1 0 228.380 1.466 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000392883321 350153065 /nfs/dbraw/zinc/15/30/65/350153065.db2.gz JUTCGTHVRJHZCW-HBNTYKKESA-N 1 0 240.347 1.201 10 0 BDAERO C[C@H](C[NH3+])[C@@H](O)c1ccc(Br)o1 ZINC000083021577 538062284 /nfs/dbraw/zinc/06/22/84/538062284.db2.gz QACYVRXAKCEQRM-SVGQVSJJSA-N 1 0 234.093 1.670 10 0 BDAERO Cc1nc2cccc(C)n2c1CN1CC[NH2+]CC1 ZINC000031933254 180100074 /nfs/dbraw/zinc/10/00/74/180100074.db2.gz QHJRLRDMLPHYRI-UHFFFAOYSA-N 1 0 244.342 1.356 10 0 BDAERO Cc1nc2cccc(F)c2c(N)c1C[NH3+] ZINC000013864112 180100416 /nfs/dbraw/zinc/10/04/16/180100416.db2.gz DXBPQTURQLXETO-UHFFFAOYSA-N 1 0 205.236 1.723 10 0 BDAERO Cn1nccc1-c1cc(=O)[nH]c([C@@H]2CCC[NH2+]2)n1 ZINC000725257054 538059091 /nfs/dbraw/zinc/05/90/91/538059091.db2.gz HCYLHZFYIJSKOL-QMMMGPOBSA-N 1 0 245.286 1.007 10 0 BDAERO Cc1nc2ccccc2nc1N(CC[NH3+])C1CC1 ZINC000104305315 180105256 /nfs/dbraw/zinc/10/52/56/180105256.db2.gz NFPGJCZHSJBDMU-UHFFFAOYSA-N 1 0 242.326 1.866 10 0 BDAERO CCCCn1nnc(C[NH2+]C)c1-c1ccnn1C ZINC000725257553 538064777 /nfs/dbraw/zinc/06/47/77/538064777.db2.gz QOXPMVWGLSFQTP-UHFFFAOYSA-N 1 0 248.334 1.198 10 0 BDAERO O=C1C[C@]2(CC[N@H+](Cc3ccccc3)C2)N1 ZINC000095077831 191053871 /nfs/dbraw/zinc/05/38/71/191053871.db2.gz CCNCRABQMVLYGO-ZDUSSCGKSA-N 1 0 216.284 1.151 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000037797601 180157113 /nfs/dbraw/zinc/15/71/13/180157113.db2.gz UAYPUCONWTVJOW-NXEZZACHSA-N 1 0 226.345 1.845 10 0 BDAERO Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCO2)cn1 ZINC000309740924 180158399 /nfs/dbraw/zinc/15/83/99/180158399.db2.gz DGLJVKMJLXLVJN-SKDRFNHKSA-N 1 0 221.304 1.442 10 0 BDAERO Cc1ncc([C@@H]2C[NH+]3CCC2CC3)nc1C ZINC000013448172 180174440 /nfs/dbraw/zinc/17/44/40/180174440.db2.gz HZLFTADBJNHGTM-GFCCVEGCSA-N 1 0 217.316 1.903 10 0 BDAERO CC[C@@](C)(O)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000083463258 350215503 /nfs/dbraw/zinc/21/55/03/350215503.db2.gz FLPIPVVUPJLRGA-MRBYEJRBSA-N 1 0 227.348 1.551 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)n1 ZINC000163344767 180192616 /nfs/dbraw/zinc/19/26/16/180192616.db2.gz VFORLHPKEDKHEZ-WDEREUQCSA-N 1 0 221.304 1.034 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2CCCC[C@H]2O)n1 ZINC000038037855 180192624 /nfs/dbraw/zinc/19/26/24/180192624.db2.gz NFQGWXDCSGIEER-NWDGAFQWSA-N 1 0 221.304 1.178 10 0 BDAERO C[C@H](CO)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124583871 490378179 /nfs/dbraw/zinc/37/81/79/490378179.db2.gz YSWRCDFZRMLYLK-FQUUOJAGSA-N 1 0 241.375 1.630 10 0 BDAERO Cc1nccc(OCC2CC[NH2+]CC2)n1 ZINC000054937454 180207620 /nfs/dbraw/zinc/20/76/20/180207620.db2.gz RBQOGTHBIMHANU-UHFFFAOYSA-N 1 0 207.277 1.163 10 0 BDAERO Cc1nccc(C[NH2+]C2CCC(O)CC2)n1 ZINC000054790046 180187915 /nfs/dbraw/zinc/18/79/15/180187915.db2.gz GLJQHLSQEAKTDQ-UHFFFAOYSA-N 1 0 221.304 1.178 10 0 BDAERO Cc1ncccc1N[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000134071762 180225672 /nfs/dbraw/zinc/22/56/72/180225672.db2.gz NPCYWGWTFXMNLW-CMPLNLGQSA-N 1 0 235.331 1.569 10 0 BDAERO O=C(CCc1ccccc1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000036287665 259412007 /nfs/dbraw/zinc/41/20/07/259412007.db2.gz ZRZQPRQWUNAZCO-UONOGXRCSA-N 1 0 244.338 1.440 10 0 BDAERO O=C(Nc1ccnn1C1C[NH2+]C1)N1CCCCC1 ZINC000725258580 538076497 /nfs/dbraw/zinc/07/64/97/538076497.db2.gz UBPAAOZQCYNAIX-UHFFFAOYSA-N 1 0 249.318 1.045 10 0 BDAERO Cc1nccn1Cc1cc(C[NH3+])ccc1F ZINC000019271708 180269298 /nfs/dbraw/zinc/26/92/98/180269298.db2.gz CDYVDMAVFNPKIW-UHFFFAOYSA-N 1 0 219.263 1.838 10 0 BDAERO Cc1ncn([C@H](C[NH3+])c2cccnc2)c1C ZINC000051925642 180289130 /nfs/dbraw/zinc/28/91/30/180289130.db2.gz GNOZSDJBFHYNER-GFCCVEGCSA-N 1 0 216.288 1.443 10 0 BDAERO Cc1nccnc1S[C@H]1CCC[NH2+]C1 ZINC000095068810 180280617 /nfs/dbraw/zinc/28/06/17/180280617.db2.gz CNGREGAICCSGQN-VIFPVBQESA-N 1 0 209.318 1.629 10 0 BDAERO Cc1nccnc1[S@](=O)C[C@@H]1CCCC[NH2+]1 ZINC000095068788 180283767 /nfs/dbraw/zinc/28/37/67/180283767.db2.gz AWSYLYLMFDOTLX-QFYYESIMSA-N 1 0 239.344 1.035 10 0 BDAERO CC(C)COC[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324280789 350289860 /nfs/dbraw/zinc/28/98/60/350289860.db2.gz ONGSQYLWTVZKAW-RYUDHWBXSA-N 1 0 247.379 1.017 10 0 BDAERO Cc1nc(C[NH3+])cc(Cc2ccc(F)cc2)n1 ZINC000076028292 350346996 /nfs/dbraw/zinc/34/69/96/350346996.db2.gz MVHAQKRIHWTEDM-UHFFFAOYSA-N 1 0 231.274 1.974 10 0 BDAERO C[C@@H](CC(N)=S)[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000225159827 350352959 /nfs/dbraw/zinc/35/29/59/350352959.db2.gz KFEJYZSMDDKCLZ-XHNCKOQMSA-N 1 0 216.350 1.160 10 0 BDAERO Cc1nn(-c2ccc(C[NH3+])nn2)c(C)c1C ZINC000051493412 180327718 /nfs/dbraw/zinc/32/77/18/180327718.db2.gz JKOHUZKCVCNUQA-UHFFFAOYSA-N 1 0 217.276 1.046 10 0 BDAERO Cc1nn(-c2ncccn2)c(C)c1[C@@H](C)[NH3+] ZINC000072415705 180331983 /nfs/dbraw/zinc/33/19/83/180331983.db2.gz ZXNWNEXQRUBAAC-SSDOTTSWSA-N 1 0 217.276 1.299 10 0 BDAERO CCc1cc(N[C@@H]2CCC[N@@H+](CC)C2)ncn1 ZINC000040765234 350395097 /nfs/dbraw/zinc/39/50/97/350395097.db2.gz JSCTYJRQJIBYKJ-GFCCVEGCSA-N 1 0 234.347 1.935 10 0 BDAERO Cc1ncsc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282476757 180322086 /nfs/dbraw/zinc/32/20/86/180322086.db2.gz VAUYWEJMFAHFSV-VXNVDRBHSA-N 1 0 239.344 1.208 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1C[C@H]1C ZINC000105437606 180350572 /nfs/dbraw/zinc/35/05/72/180350572.db2.gz MRNTUYMTCNZIDZ-HZGVNTEJSA-N 1 0 213.712 1.880 10 0 BDAERO Cc1nn(C)c(N(C)CC2CC2)c1C[C@H](C)[NH3+] ZINC000104254530 180351745 /nfs/dbraw/zinc/35/17/45/180351745.db2.gz FBYKPGCKKRSSHW-VIFPVBQESA-N 1 0 236.363 1.464 10 0 BDAERO CC(C)CNC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000725264630 538092189 /nfs/dbraw/zinc/09/21/89/538092189.db2.gz YWPQTPCJDOKCPA-DGCLKSJQSA-N 1 0 239.363 1.616 10 0 BDAERO CC[N@H+](Cc1ccncc1)CC1(O)CCC1 ZINC000336665393 350426742 /nfs/dbraw/zinc/42/67/42/350426742.db2.gz FQIWALRGLMPSJC-UHFFFAOYSA-N 1 0 220.316 1.819 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000069889652 350432262 /nfs/dbraw/zinc/43/22/62/350432262.db2.gz OCYMUQHSTWZVBH-UPJWGTAASA-N 1 0 226.364 1.628 10 0 BDAERO Cc1nn([C@H](C[NH3+])c2ccco2)c(C)c1C ZINC000043336482 180393064 /nfs/dbraw/zinc/39/30/64/180393064.db2.gz MIXIOCZNDRVMRC-LLVKDONJSA-N 1 0 219.288 1.949 10 0 BDAERO CC(C)(C)c1ccnc(N2CC[C@H](C[NH3+])C2)n1 ZINC000261547221 535133942 /nfs/dbraw/zinc/13/39/42/535133942.db2.gz HSABGUDWGGYYHD-SNVBAGLBSA-N 1 0 234.347 1.559 10 0 BDAERO Cc1nn([C@H](C)C[NH3+])c(C)c1Br ZINC000050589268 180393393 /nfs/dbraw/zinc/39/33/93/180393393.db2.gz KFRLJDQNOCZCHI-RXMQYKEDSA-N 1 0 232.125 1.782 10 0 BDAERO CCn1cc(C[N@@H+]2CC[C@H](CCO)C2)cn1 ZINC000163080897 350501970 /nfs/dbraw/zinc/50/19/70/350501970.db2.gz WDRRXONGRLUYNL-LLVKDONJSA-N 1 0 223.320 1.107 10 0 BDAERO Cc1nn(C[C@@H]2CCOC2)c(C)c1CC[NH3+] ZINC000054740973 180390668 /nfs/dbraw/zinc/39/06/68/180390668.db2.gz OFLXYBIXZHDHNS-NSHDSACASA-N 1 0 223.320 1.038 10 0 BDAERO Cc1nnc(C(C)C)n1C1CC[NH2+]CC1 ZINC000039105685 180399417 /nfs/dbraw/zinc/39/94/17/180399417.db2.gz GAQAYIMKNXXARO-UHFFFAOYSA-N 1 0 208.309 1.634 10 0 BDAERO C[C@H]([NH3+])C[S@@](=O)c1ccc(F)c(Cl)c1 ZINC000227958120 350520605 /nfs/dbraw/zinc/52/06/05/350520605.db2.gz VLXCSNLOGLEXLB-DXRPGJJCSA-N 1 0 235.711 1.934 10 0 BDAERO c1nnn([C@@H]2CCC[NH2+]C2)c1-c1cccnc1 ZINC000725266176 538095653 /nfs/dbraw/zinc/09/56/53/538095653.db2.gz UNPNWGBYYDCXSK-LLVKDONJSA-N 1 0 229.287 1.265 10 0 BDAERO C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000252649993 538096311 /nfs/dbraw/zinc/09/63/11/538096311.db2.gz XYYDFTBTPMVVPW-RDBSUJKOSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1nnc(SCc2ccc(C[NH3+])cc2)n1C ZINC000103941775 180439771 /nfs/dbraw/zinc/43/97/71/180439771.db2.gz FFLYBIITENEZPX-UHFFFAOYSA-N 1 0 248.355 1.875 10 0 BDAERO Cc1nnc(N2CC[C@@H](C)C[C@@H]2C[NH3+])s1 ZINC000235391645 180426505 /nfs/dbraw/zinc/42/65/05/180426505.db2.gz HABNNEOONBHRSF-VXNVDRBHSA-N 1 0 226.349 1.410 10 0 BDAERO C[NH2+]C[C@@H](C)c1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266386 538096063 /nfs/dbraw/zinc/09/60/63/538096063.db2.gz RYXIFSJEFVMEJC-SSDOTTSWSA-N 1 0 240.307 1.083 10 0 BDAERO c1cc2nnccc2c([C@@H]2CC[NH2+]CCO2)c1 ZINC000616595646 350610047 /nfs/dbraw/zinc/61/00/47/350610047.db2.gz XRPRFOGFLQQBAQ-ZDUSSCGKSA-N 1 0 229.283 1.681 10 0 BDAERO CC(=O)Nc1ccccc1[C@@H]1C[NH2+]CCCO1 ZINC000616597861 350653675 /nfs/dbraw/zinc/65/36/75/350653675.db2.gz GRXMPFRQNJDPOU-ZDUSSCGKSA-N 1 0 234.299 1.696 10 0 BDAERO CC1CC(CN)([N@@H+]2CCCSCC2)C1 ZINC000232803979 350667700 /nfs/dbraw/zinc/66/77/00/350667700.db2.gz WZMWOIYAAQKZRC-UHFFFAOYSA-N 1 0 214.378 1.553 10 0 BDAERO Cc1noc(CC[NH2+][C@@H](C)c2cncs2)n1 ZINC000129386359 180484295 /nfs/dbraw/zinc/48/42/95/180484295.db2.gz IQCMOAQROHEVLI-ZETCQYMHSA-N 1 0 238.316 1.728 10 0 BDAERO CC(=O)Nc1ccc([C@@H]2COCC[N@@H+](C)C2)cc1 ZINC000616598837 350687052 /nfs/dbraw/zinc/68/70/52/350687052.db2.gz SZAZSPLXMRGWDK-ZDUSSCGKSA-N 1 0 248.326 1.691 10 0 BDAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1CCO ZINC000616599696 350754959 /nfs/dbraw/zinc/75/49/59/350754959.db2.gz UTCCZSUBJPSSKG-JTQLQIEISA-N 1 0 201.310 1.258 10 0 BDAERO C[C@@H]1C[NH2+][C@@]2(CC[C@@H](C)OC2)SC1 ZINC000401671216 362982054 /nfs/dbraw/zinc/98/20/54/362982054.db2.gz QXNIXUWKTQFWTD-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO CC(=O)Nc1ccccc1[C@@H]1CN(C)CC[NH2+]1 ZINC000616601534 350782530 /nfs/dbraw/zinc/78/25/30/350782530.db2.gz HXVJVBHDZNLWGP-ZDUSSCGKSA-N 1 0 233.315 1.221 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2cccnc2)CC1 ZINC000616602518 350791955 /nfs/dbraw/zinc/79/19/55/350791955.db2.gz YUYOHKMYEPSBOD-GFCCVEGCSA-N 1 0 220.316 1.643 10 0 BDAERO CNc1cccc([C@@H]2C[NH2+]CCN2C)c1 ZINC000616605520 350795009 /nfs/dbraw/zinc/79/50/09/350795009.db2.gz ZXKMUQGRADEGCD-LBPRGKRZSA-N 1 0 205.305 1.304 10 0 BDAERO C[N@@H+]1CCCC[C@@H](c2cccc(N)n2)C1 ZINC000616605884 350795751 /nfs/dbraw/zinc/79/57/51/350795751.db2.gz YBRRVXYEPGVTSG-SNVBAGLBSA-N 1 0 205.305 1.863 10 0 BDAERO [NH3+]CCN1CCC[C@H]1c1cccc(CCO)c1 ZINC000616608428 350804532 /nfs/dbraw/zinc/80/45/32/350804532.db2.gz VACOLYOCBIIQDO-AWEZNQCLSA-N 1 0 234.343 1.317 10 0 BDAERO C[C@H]1SCC[C@@]1(CN)[N@H+](C)C(C)(C)C ZINC000306680079 350834862 /nfs/dbraw/zinc/83/48/62/350834862.db2.gz JPZAOPCUHPRCHZ-KOLCDFICSA-N 1 0 216.394 1.940 10 0 BDAERO Cc1cc(C(=O)CC2([NH3+])CCC2)sn1 ZINC000306679981 350834904 /nfs/dbraw/zinc/83/49/04/350834904.db2.gz JLPCPNGGIHJXKK-UHFFFAOYSA-N 1 0 210.302 1.906 10 0 BDAERO CSC(C)(C)c1ncc(C[NH3+])c(C)n1 ZINC000306697969 350846982 /nfs/dbraw/zinc/84/69/82/350846982.db2.gz CDUWWVKAPLAZSH-UHFFFAOYSA-N 1 0 211.334 1.842 10 0 BDAERO COC(=O)N1CCC[C@H](c2cccc(N)n2)C1 ZINC000616617572 350869690 /nfs/dbraw/zinc/86/96/90/350869690.db2.gz ULFUUYXMBSWTQY-VIFPVBQESA-N 1 0 235.287 1.610 10 0 BDAERO C[C@@H]1C[S@@](=O)CCN1CC(C)(C)C ZINC000306675202 350826696 /nfs/dbraw/zinc/82/66/96/350826696.db2.gz SCOCOSLROLRUJH-RNCFNFMXSA-N 1 0 203.351 1.485 10 0 BDAERO C[C@]1(O)CCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000306676361 350828613 /nfs/dbraw/zinc/82/86/13/350828613.db2.gz VYGVGOGKDJBQOG-MXWKQRLJSA-N 1 0 215.362 1.775 10 0 BDAERO C[C@H]1CCC[N@@H+]1C[C@H]1CSCCN1 ZINC000251589083 350899266 /nfs/dbraw/zinc/89/92/66/350899266.db2.gz BGWLVJPXINSVMK-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO C[NH2+]Cc1ncc(-c2cnccn2)s1 ZINC000306728297 350899575 /nfs/dbraw/zinc/89/95/75/350899575.db2.gz NJVVTDMMJPCVJL-UHFFFAOYSA-N 1 0 206.274 1.320 10 0 BDAERO [NH3+][C@@H]1CCN(C[C@@H]2CCCSC2)C1 ZINC000306730752 350900220 /nfs/dbraw/zinc/90/02/20/350900220.db2.gz PUINPPUZGHJFPV-VHSXEESVSA-N 1 0 200.351 1.163 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1[C@H](C)[C@@H](C)[NH3+] ZINC000251832061 350904455 /nfs/dbraw/zinc/90/44/55/350904455.db2.gz QBBMKSDBACKGMZ-GWOFURMSSA-N 1 0 200.326 1.221 10 0 BDAERO CC[C@@H]1C[NH2+]C[C@@H]1N(C)[C@H]1CCSC1 ZINC000251877857 350905340 /nfs/dbraw/zinc/90/53/40/350905340.db2.gz UZDMFRKPFDGTJS-VWYCJHECSA-N 1 0 214.378 1.422 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1[S@](=O)c1cccs1 ZINC000252469407 350911831 /nfs/dbraw/zinc/91/18/31/350911831.db2.gz SQSXNVJJPMABQL-MSLVZZLFSA-N 1 0 229.370 1.982 10 0 BDAERO OCCc1ccccc1[C@H]1CCC[NH2+]C1 ZINC000616618695 350921638 /nfs/dbraw/zinc/92/16/38/350921638.db2.gz JRDVRKLYUPYVME-LBPRGKRZSA-N 1 0 205.301 1.688 10 0 BDAERO CC[NH+]1CCC(c2cccc(C(N)=O)c2)CC1 ZINC000616619461 350927647 /nfs/dbraw/zinc/92/76/47/350927647.db2.gz OWBTYCLPZSNGCN-UHFFFAOYSA-N 1 0 232.327 1.985 10 0 BDAERO [NH3+][C@H](c1ccns1)[C@@H]1CSCCS1 ZINC000306745750 350933723 /nfs/dbraw/zinc/93/37/23/350933723.db2.gz BMSZJKWLBNTZMS-JGVFFNPUSA-N 1 0 232.399 1.992 10 0 BDAERO Nc1ccc([C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000616620194 350935866 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OESFPWKEHOJOTG-LURJTMIESA-N 1 0 200.673 1.279 10 0 BDAERO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)cs1 ZINC000306959370 351381843 /nfs/dbraw/zinc/38/18/43/351381843.db2.gz XNHPNTYKXGAFHF-VIFPVBQESA-N 1 0 210.302 1.148 10 0 BDAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cscn1 ZINC000571896988 323501439 /nfs/dbraw/zinc/50/14/39/323501439.db2.gz NLBWGBQLJZCEHI-HRDYMLBCSA-N 1 0 239.344 1.176 10 0 BDAERO C[C@H](C[NH3+])C(=O)Nc1ccsc1Cl ZINC000306981264 351401366 /nfs/dbraw/zinc/40/13/66/351401366.db2.gz QBOZWZJMQCJJBL-RXMQYKEDSA-N 1 0 218.709 1.935 10 0 BDAERO CC(C)C[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000034936805 351349979 /nfs/dbraw/zinc/34/99/79/351349979.db2.gz LSDWDYRVGVCWSM-JTQLQIEISA-N 1 0 212.337 1.679 10 0 BDAERO CCCCCNC(=O)[C@@H](C)[NH2+]CC(C)C ZINC000034938733 351353144 /nfs/dbraw/zinc/35/31/44/351353144.db2.gz IMLKPHWVSALFGE-LLVKDONJSA-N 1 0 214.353 1.927 10 0 BDAERO C[C@H](C(=[NH2+])NO)N1CCC=C(Br)C1 ZINC000404411597 351431969 /nfs/dbraw/zinc/43/19/69/351431969.db2.gz PATBQCBFUYKRSA-ZCFIWIBFSA-N 1 0 248.124 1.315 10 0 BDAERO [NH3+][C@@H](c1cscn1)[C@@H]1CSCCO1 ZINC000307044929 351446120 /nfs/dbraw/zinc/44/61/20/351446120.db2.gz UROXLPCTELPWQC-YUMQZZPRSA-N 1 0 216.331 1.275 10 0 BDAERO CCNc1cc(N)[nH+]cc1Br ZINC000307048838 351447091 /nfs/dbraw/zinc/44/70/91/351447091.db2.gz KBOFIMYJCHDURB-UHFFFAOYSA-N 1 0 216.082 1.858 10 0 BDAERO C[C@H]([NH3+])c1nc2c[nH]cc(Br)c-2n1 ZINC000307058959 351458445 /nfs/dbraw/zinc/45/84/45/351458445.db2.gz MGXZSNDQRHIEGU-BYPYZUCNSA-N 1 0 241.092 1.740 10 0 BDAERO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CC[C@@H](O)C1 ZINC000306994517 351411078 /nfs/dbraw/zinc/41/10/78/351411078.db2.gz NTKTURSUWKLBBX-AXTSPUMRSA-N 1 0 201.335 1.383 10 0 BDAERO [NH3+]CCc1nc2cncc(Br)c2[nH]1 ZINC000307009268 351416296 /nfs/dbraw/zinc/41/62/96/351416296.db2.gz IIPMIGOQALWDNQ-UHFFFAOYSA-N 1 0 241.092 1.222 10 0 BDAERO COc1ncc(-c2cnc(C[NH3+])s2)s1 ZINC000307008141 351416644 /nfs/dbraw/zinc/41/66/44/351416644.db2.gz GTVOGMYVLMHVQW-UHFFFAOYSA-N 1 0 227.314 1.734 10 0 BDAERO CC1(C)[C@H]([NH3+])C[C@H]1N1C(=O)c2ccccc2C1=O ZINC000307011284 351419484 /nfs/dbraw/zinc/41/94/84/351419484.db2.gz KUCMUZXQYMSMGQ-GHMZBOCLSA-N 1 0 244.294 1.408 10 0 BDAERO C[C@@H]1SCCS[C@H]1C1=[NH+]CCN1 ZINC000307019592 351423886 /nfs/dbraw/zinc/42/38/86/351423886.db2.gz SDVAQIKUQKRBTN-NKWVEPMBSA-N 1 0 202.348 1.225 10 0 BDAERO C[C@@H]1C[C@@]2(COC(=O)N2)C[N@@H+]1Cc1ccccc1 ZINC000307145266 351497869 /nfs/dbraw/zinc/49/78/69/351497869.db2.gz MJLLKSAICHBOHA-RISCZKNCSA-N 1 0 246.310 1.759 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@@](=O)[C@H](C)CC[NH2+]1 ZINC000307159984 351510324 /nfs/dbraw/zinc/51/03/24/351510324.db2.gz VLXIODSSGFVCBS-ISTVAULSSA-N 1 0 217.378 1.922 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@](=O)[C@H](C)CC[NH2+]1 ZINC000307159981 351510876 /nfs/dbraw/zinc/51/08/76/351510876.db2.gz VLXIODSSGFVCBS-BFVZDQMLSA-N 1 0 217.378 1.922 10 0 BDAERO Clc1cncc(N2CCC[NH2+]CCC2)c1 ZINC000013704026 180599134 /nfs/dbraw/zinc/59/91/34/180599134.db2.gz WLPPBIMGKKVATA-UHFFFAOYSA-N 1 0 225.723 1.925 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CC[C@H](O)CC1 ZINC000307109209 351480223 /nfs/dbraw/zinc/48/02/23/351480223.db2.gz BCNNFCRETWFEOI-JOCQHMNTSA-N 1 0 247.342 1.604 10 0 BDAERO CC1(C)[C@H]([NH2+]CC[C@H](O)C(F)F)[C@@H]2CCO[C@H]21 ZINC000631702653 363063961 /nfs/dbraw/zinc/06/39/61/363063961.db2.gz RGCGXCAKEIBNKB-AXTSPUMRSA-N 1 0 249.301 1.406 10 0 BDAERO CC[C@H]1CS[C@@]2(CCOC2(C)C)[NH2+]1 ZINC000307168030 351538378 /nfs/dbraw/zinc/53/83/78/351538378.db2.gz TZHNHYNWGUDRFP-WCBMZHEXSA-N 1 0 201.335 1.997 10 0 BDAERO Clc1nccnc1COC[C@H]1CCC[NH2+]1 ZINC000095070386 180603240 /nfs/dbraw/zinc/60/32/40/180603240.db2.gz ZSINIOJTYPBEQJ-MRVPVSSYSA-N 1 0 227.695 1.399 10 0 BDAERO CC(C)(C[NH3+])c1ncnc2sccc21 ZINC000307211161 351612442 /nfs/dbraw/zinc/61/24/42/351612442.db2.gz NOKCFASSLRTAOC-UHFFFAOYSA-N 1 0 207.302 1.928 10 0 BDAERO C[C@H]([C@@H]1CCC[NH2+]1)N1CCSCC1 ZINC000307188249 351590770 /nfs/dbraw/zinc/59/07/70/351590770.db2.gz WSBGCKYJXZLIOP-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO CC1(C)SC[C@@H]1NC1=[NH+]CCS1 ZINC000307191674 351593646 /nfs/dbraw/zinc/59/36/46/351593646.db2.gz AKSBXFXMTSYBEK-LURJTMIESA-N 1 0 202.348 1.573 10 0 BDAERO C[C@H]([NH3+])c1nnc([C@]2(C)C[C@H]2F)s1 ZINC000307194713 351595038 /nfs/dbraw/zinc/59/50/38/351595038.db2.gz KEAYPACNLPMGRI-CPDSJTNBSA-N 1 0 201.270 1.557 10 0 BDAERO C[C@H]1O[C@@H](C)C[C@@]12[NH2+][C@H](C)CCS2 ZINC000307204799 351608471 /nfs/dbraw/zinc/60/84/71/351608471.db2.gz GEPOMSJYERERRK-RGOKHQFPSA-N 1 0 201.335 1.995 10 0 BDAERO C[C@@H]1CC[C@H](O[C@H]2CCSC2)C[NH2+]1 ZINC000405443300 363079453 /nfs/dbraw/zinc/07/94/53/363079453.db2.gz VYCFBLLLAOQPNO-UTLUCORTSA-N 1 0 201.335 1.649 10 0 BDAERO Cc1cocc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000637797802 351625788 /nfs/dbraw/zinc/62/57/88/351625788.db2.gz FBOIXIYPXBLNIW-VIFPVBQESA-N 1 0 208.261 1.151 10 0 BDAERO CC(C)[C@@H](C)[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000089682288 535166630 /nfs/dbraw/zinc/16/66/30/535166630.db2.gz XVYORXYXECGAAG-YPMHNXCESA-N 1 0 226.364 1.484 10 0 BDAERO c1c[nH]c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1 ZINC000725269202 538101243 /nfs/dbraw/zinc/10/12/43/538101243.db2.gz FWCNJYNKHLPRLA-VXGBXAGGSA-N 1 0 206.289 1.529 10 0 BDAERO C[C@H]1C[NH2+]C[C@@](F)(c2cnsc2)C1 ZINC000404677015 351809384 /nfs/dbraw/zinc/80/93/84/351809384.db2.gz DQGNNQMUXIPZSJ-VXNVDRBHSA-N 1 0 200.282 1.937 10 0 BDAERO C[C@@H]1CCS[C@]2(CCC[NH2+][C@H]2C)N1 ZINC000307270178 351818015 /nfs/dbraw/zinc/81/80/15/351818015.db2.gz NAJIIFPSAFXDEC-UTLUCORTSA-N 1 0 200.351 1.570 10 0 BDAERO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)C1CCCC1 ZINC000637991508 351866041 /nfs/dbraw/zinc/86/60/41/351866041.db2.gz QOQKUNRGILDODA-UWVGGRQHSA-N 1 0 212.337 1.679 10 0 BDAERO CC[C@@H](C)[NH2+]C[C@H](O)c1ccc(N)cc1 ZINC000002003344 351866110 /nfs/dbraw/zinc/86/61/10/351866110.db2.gz UWYLQWLJGMLJQF-SKDRFNHKSA-N 1 0 208.305 1.690 10 0 in-man BDAERO CS[C@H]1CCCN([C@H](C)C(N)=[NH2+])CC1 ZINC000300886058 363098093 /nfs/dbraw/zinc/09/80/93/363098093.db2.gz TWUSSWVRZNVOKZ-BDAKNGLRSA-N 1 0 215.366 1.528 10 0 BDAERO CC(C)=CC(=O)N1CCC[N@@H+](C)C[C@@H]1C ZINC000300881150 363098220 /nfs/dbraw/zinc/09/82/20/363098220.db2.gz ZJCXNRMDYVLMGW-NSHDSACASA-N 1 0 210.321 1.505 10 0 BDAERO CC[C@@](C)(C[NH3+])c1ncc(Br)cn1 ZINC000307306027 351932522 /nfs/dbraw/zinc/93/25/22/351932522.db2.gz SHDLMOQMDOJUAT-VIFPVBQESA-N 1 0 244.136 1.866 10 0 BDAERO C[C@H]1CC[C@@H]([NH3+])CN1C(=O)NCc1ccccc1 ZINC000307337660 352056321 /nfs/dbraw/zinc/05/63/21/352056321.db2.gz GHXAHBTUVUBHCN-WCQYABFASA-N 1 0 247.342 1.708 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC000638209601 352072214 /nfs/dbraw/zinc/07/22/14/352072214.db2.gz YKVRYQGPLVMMQI-QJPTWQEYSA-N 1 0 236.359 1.823 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCC12CC2 ZINC000638164371 352032321 /nfs/dbraw/zinc/03/23/21/352032321.db2.gz HKTYKVCHUAZVNM-MNOVXSKESA-N 1 0 222.332 1.292 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CC(=O)N1 ZINC000215998679 363105367 /nfs/dbraw/zinc/10/53/67/363105367.db2.gz WRBOZTYRDIKBAB-PWSUYJOCSA-N 1 0 218.300 1.443 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC12CC2 ZINC000638221068 352079917 /nfs/dbraw/zinc/07/99/17/352079917.db2.gz FVRVXBHFIBZTOE-NXEZZACHSA-N 1 0 210.321 1.291 10 0 BDAERO FC1(F)CC[C@@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC000307346625 352100776 /nfs/dbraw/zinc/10/07/76/352100776.db2.gz WRSAJAZQNFMLJY-BDAKNGLRSA-N 1 0 205.248 1.943 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@@H]1[NH3+] ZINC000638330984 352149470 /nfs/dbraw/zinc/14/94/70/352149470.db2.gz IYQIQSYDBLLAOL-VWYCJHECSA-N 1 0 222.332 1.372 10 0 BDAERO Cn1ccc([C@H](C[NH3+])C2(CO)CCCC2)n1 ZINC000536953963 538102336 /nfs/dbraw/zinc/10/23/36/538102336.db2.gz MKYRGGFCZFGAPJ-JTQLQIEISA-N 1 0 223.320 1.015 10 0 BDAERO O=C(c1ccc(F)cc1O)C1CC[NH2+]CC1 ZINC000039376005 363149834 /nfs/dbraw/zinc/14/98/34/363149834.db2.gz DOTNAUSRXQAKRZ-UHFFFAOYSA-N 1 0 223.247 1.714 10 0 in-vitro BDAERO CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638535811 352367490 /nfs/dbraw/zinc/36/74/90/352367490.db2.gz GTYAGWTWPFIZEQ-VWYCJHECSA-N 1 0 242.388 1.610 10 0 BDAERO CC(C)CNC(=O)NC[C@@H]1CC[NH2+]C[C@@H]1C ZINC000725270969 538103123 /nfs/dbraw/zinc/10/31/23/538103123.db2.gz HGHRAHJHLQUIIV-QWRGUYRKSA-N 1 0 227.352 1.187 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)CCN1 ZINC000725272086 538103716 /nfs/dbraw/zinc/10/37/16/538103716.db2.gz YYRPQUCSZHAQDE-BJJPWKGXSA-N 1 0 236.359 1.238 10 0 BDAERO [NH2+]=C(NCc1ccccc1)NC1CCOCC1 ZINC000307365331 352450399 /nfs/dbraw/zinc/45/03/99/352450399.db2.gz JKRIGCKIRVXRLU-UHFFFAOYSA-N 1 0 233.315 1.480 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)n(C)n1 ZINC000084244419 352466673 /nfs/dbraw/zinc/46/66/73/352466673.db2.gz DIWCZWLMIBJABC-NEPJUHHUSA-N 1 0 223.320 1.122 10 0 BDAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000638628650 352468244 /nfs/dbraw/zinc/46/82/44/352468244.db2.gz BUIPKZRTTHDSSS-BBBLOLIVSA-N 1 0 246.301 1.760 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]C1CSC1 ZINC000307374031 352473030 /nfs/dbraw/zinc/47/30/30/352473030.db2.gz SLFFVPUSUPNDNF-ZJUUUORDSA-N 1 0 201.335 1.385 10 0 BDAERO CC[C@@H]1CN([C@H](C)C(F)F)[C@@H](C)C[NH2+]1 ZINC000307375464 352473770 /nfs/dbraw/zinc/47/37/70/352473770.db2.gz ZLODYTPOIRVKNC-DJLDLDEBSA-N 1 0 206.280 1.712 10 0 BDAERO COCCC[NH2+][C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 ZINC000725271495 538103589 /nfs/dbraw/zinc/10/35/89/538103589.db2.gz NVNXBOZBRVUKOC-RNJOBUHISA-N 1 0 225.332 1.570 10 0 BDAERO COCCC[NH2+][C@H]1CCC[C@@]23C[C@@H](CO2)[C@H]13 ZINC000725271496 538103592 /nfs/dbraw/zinc/10/35/92/538103592.db2.gz NVNXBOZBRVUKOC-RVMXOQNASA-N 1 0 225.332 1.570 10 0 BDAERO CC(C)(C)[C@@](C)(C[NH3+])N1CCOCC1 ZINC000026510843 187741092 /nfs/dbraw/zinc/74/10/92/187741092.db2.gz BOGHRHBLJJUQPT-LLVKDONJSA-N 1 0 200.326 1.082 10 0 BDAERO COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)C(C)(C)C ZINC000725272452 538104286 /nfs/dbraw/zinc/10/42/86/538104286.db2.gz FPBTXKANNSFNDM-MNOVXSKESA-N 1 0 242.363 1.115 10 0 BDAERO C[C@@H](C(=O)N1CCN=C1CC[NH3+])C(C)(C)C ZINC000725272496 538104052 /nfs/dbraw/zinc/10/40/52/538104052.db2.gz MPAXPZRJTQVBKL-VIFPVBQESA-N 1 0 225.336 1.258 10 0 BDAERO [NH3+][C@H](c1cnsc1)[C@H]1CCSC1 ZINC000404846819 352590672 /nfs/dbraw/zinc/59/06/72/352590672.db2.gz NAIWNIDOAZBDEX-XPUUQOCRSA-N 1 0 200.332 1.896 10 0 BDAERO CC1(C)[C@@H]([NH3+])C[C@@]1(O)C(F)(F)Br ZINC000404858218 352594124 /nfs/dbraw/zinc/59/41/24/352594124.db2.gz SYRVTOGCAAZZHG-NJGYIYPDSA-N 1 0 244.079 1.462 10 0 BDAERO CCNC(=[NH2+])N1CCSC[C@H](C)C1 ZINC000307437041 352595903 /nfs/dbraw/zinc/59/59/03/352595903.db2.gz RSCZWIIRVJNWEF-MRVPVSSYSA-N 1 0 201.339 1.216 10 0 BDAERO C[C@@H]1C[NH2+]CCCN1C(=O)NCc1ccccc1 ZINC000307435595 352595933 /nfs/dbraw/zinc/59/59/33/352595933.db2.gz OEUIZGRUTZFELS-GFCCVEGCSA-N 1 0 247.342 1.580 10 0 BDAERO C[C@H]1C[NH2+]CC[C@H]1C(=O)C1CCOCC1 ZINC000307445166 352601399 /nfs/dbraw/zinc/60/13/99/352601399.db2.gz VEUNOPNRLNEMGB-GXSJLCMTSA-N 1 0 211.305 1.228 10 0 BDAERO CC[N@H+](Cc1ccccc1)[C@@H]1CCOC[C@H]1O ZINC000725272655 538104487 /nfs/dbraw/zinc/10/44/87/538104487.db2.gz JAKGMLDXMIZYLG-ZIAGYGMSSA-N 1 0 235.327 1.658 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](NC(=O)NCc2ccccc2)C1 ZINC000232304193 352610344 /nfs/dbraw/zinc/61/03/44/352610344.db2.gz RPMOEMZRFGOHTP-DGCLKSJQSA-N 1 0 247.342 1.484 10 0 BDAERO C[C@@H]1SCC[C@@H]1N1CCC[C@H]([NH3+])C1 ZINC000300352630 352559698 /nfs/dbraw/zinc/55/96/98/352559698.db2.gz NQUUWWUYQZIXLO-GUBZILKMSA-N 1 0 200.351 1.304 10 0 BDAERO CS[C@H]1CCCC[C@H]1[NH+]1CCNCC1 ZINC000300393148 352562071 /nfs/dbraw/zinc/56/20/71/352562071.db2.gz WIXIRZCPYYNCAS-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H]1CC[NH2+][C@@]2(CCOC[C@@H]2C)S1 ZINC000300980381 352581831 /nfs/dbraw/zinc/58/18/31/352581831.db2.gz ICKLGNCQVVTGOC-AEJSXWLSSA-N 1 0 201.335 1.854 10 0 BDAERO C[NH2+]C[C@@]1([C@H]2CCOC2)CCCS1 ZINC000307535898 352640090 /nfs/dbraw/zinc/64/00/90/352640090.db2.gz SFSDFVGQNJPIRX-VHSXEESVSA-N 1 0 201.335 1.508 10 0 BDAERO CC[C@]([NH3+])(c1nccs1)[C@H]1CCOC1 ZINC000307539273 352643385 /nfs/dbraw/zinc/64/33/85/352643385.db2.gz UCCPMEFNURZSFJ-WCBMZHEXSA-N 1 0 212.318 1.744 10 0 BDAERO C[C@@]1(CN=S(C)(C)=O)CCCC[NH2+]1 ZINC000307546662 352647944 /nfs/dbraw/zinc/64/79/44/352647944.db2.gz RTWPKJWIJWJTGO-VIFPVBQESA-N 1 0 204.339 1.246 10 0 BDAERO CCN(Cc1ccccc1)[C@H](C[NH2+]C)COC ZINC000232397910 352650231 /nfs/dbraw/zinc/65/02/31/352650231.db2.gz GCIUVRFQZDNWFR-CQSZACIVSA-N 1 0 236.359 1.743 10 0 BDAERO C/C=C/C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917087 187770365 /nfs/dbraw/zinc/77/03/65/187770365.db2.gz ZMFJUSSEGSPYBD-OMJJQCQUSA-N 1 0 222.332 1.553 10 0 BDAERO CC[NH2+]C[C@@H](COC)OCc1ccccc1 ZINC000232410412 352659030 /nfs/dbraw/zinc/65/90/30/352659030.db2.gz OMFFKHAEQIIEEK-ZDUSSCGKSA-N 1 0 223.316 1.828 10 0 BDAERO Cc1nnsc1CO[C@H]1CC[C@H]([NH3+])C1 ZINC000307588426 352660497 /nfs/dbraw/zinc/66/04/97/352660497.db2.gz XALWVYTXHCYEBH-YUMQZZPRSA-N 1 0 213.306 1.243 10 0 BDAERO CN(c1ccc(Cl)nn1)[C@@H]1CC[N@H+](C)C1 ZINC000307585713 352660542 /nfs/dbraw/zinc/66/05/42/352660542.db2.gz MVKLOEBPYGFRBV-MRVPVSSYSA-N 1 0 226.711 1.270 10 0 BDAERO Cc1cc(Br)c(=O)n(CCC[NH3+])c1 ZINC000041630362 187775977 /nfs/dbraw/zinc/77/59/77/187775977.db2.gz RMVLLOGLMNPQID-UHFFFAOYSA-N 1 0 245.120 1.268 10 0 BDAERO [NH3+]CCCc1ccc(C(F)(F)F)nc1 ZINC000044280089 187779335 /nfs/dbraw/zinc/77/93/35/187779335.db2.gz CCGZLLHSMKCQEW-UHFFFAOYSA-N 1 0 204.195 1.992 10 0 BDAERO CC1(C)CS[C@]2(CCOC2(C)C)[NH2+]1 ZINC000307486046 352620631 /nfs/dbraw/zinc/62/06/31/352620631.db2.gz UYNGNMAQIUSCPV-JTQLQIEISA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@H](CC[NH3+])NC(=O)c1ccc(F)c(C)c1 ZINC000063055193 187784174 /nfs/dbraw/zinc/78/41/74/187784174.db2.gz PRMBJJJUCZKCDX-LLVKDONJSA-N 1 0 238.306 1.991 10 0 BDAERO Cc1nc([C@@H](N)c2cscn2)cs1 ZINC000307512681 352632230 /nfs/dbraw/zinc/63/22/30/352632230.db2.gz PSPJENFGIVFSLD-QMMMGPOBSA-N 1 0 211.315 1.956 10 0 BDAERO Cc1cccc(CC(=O)CN2CC[NH2+]CC2)c1 ZINC000071536199 187787366 /nfs/dbraw/zinc/78/73/66/187787366.db2.gz BYAHBISVRRMAHX-UHFFFAOYSA-N 1 0 232.327 1.012 10 0 BDAERO COc1ccc([C@H](O)[C@@H](C)[NH3+])c(Cl)c1 ZINC000071519511 187787464 /nfs/dbraw/zinc/78/74/64/187787464.db2.gz QHHODEKJELTGSM-LHLIQPBNSA-N 1 0 215.680 1.729 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000638757303 352688166 /nfs/dbraw/zinc/68/81/66/352688166.db2.gz KIROSRLNADARMR-CZXHOFHRSA-N 1 0 236.359 1.633 10 0 BDAERO CSc1nccc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000095071861 187800643 /nfs/dbraw/zinc/80/06/43/187800643.db2.gz RVMWVZNZDFAUCY-SECBINFHSA-N 1 0 238.360 1.610 10 0 BDAERO C[C@H]([C@H](C)[NH3+])N1CCc2sccc2C1 ZINC000307628936 352706110 /nfs/dbraw/zinc/70/61/10/352706110.db2.gz MRNHIVJCNPPTDQ-DTWKUNHWSA-N 1 0 210.346 1.842 10 0 BDAERO CC(C)(C)[C@@H](C[NH3+])N1C(=O)c2ccccc2C1=O ZINC000307616549 352674928 /nfs/dbraw/zinc/67/49/28/352674928.db2.gz QINBXUDNAMHBTH-LLVKDONJSA-N 1 0 246.310 1.656 10 0 BDAERO CC(C)C1CC([NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000309319225 187820249 /nfs/dbraw/zinc/82/02/49/187820249.db2.gz DUEMPPJNDLDIMR-XKGSQUFQSA-N 1 0 224.348 1.678 10 0 BDAERO CC[C@H]([NH2+]CC1(CO)COC1)[C@H]1C[C@H]1C ZINC000638781551 352733439 /nfs/dbraw/zinc/73/34/39/352733439.db2.gz FPQOQYVOKKHXJZ-VWYCJHECSA-N 1 0 213.321 1.020 10 0 BDAERO COc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)cc1 ZINC000032012271 352734608 /nfs/dbraw/zinc/73/46/08/352734608.db2.gz NLRDJZPELZJIJK-RYUDHWBXSA-N 1 0 209.289 1.712 10 0 BDAERO C=C1c2ccccc2C(=O)N1CC[NH2+]C ZINC000054244934 187828360 /nfs/dbraw/zinc/82/83/60/187828360.db2.gz OVWOORFLQHZQNT-UHFFFAOYSA-N 1 0 202.257 1.333 10 0 BDAERO C[C@@H]1CC(C[NH2+][C@@H]2CCOC2)C[C@@H](C)O1 ZINC000336768085 187834408 /nfs/dbraw/zinc/83/44/08/187834408.db2.gz UJEPLKCOSSZATP-CKYFFXLPSA-N 1 0 213.321 1.569 10 0 BDAERO [NH3+][C@H](c1ccns1)[C@@H]1CSCCO1 ZINC000307664927 352748891 /nfs/dbraw/zinc/74/88/91/352748891.db2.gz LEYQILBXMFOUNH-XPUUQOCRSA-N 1 0 216.331 1.275 10 0 BDAERO COc1cc(Cl)ccc1C1=[NH+]CCN1 ZINC000307673274 352750669 /nfs/dbraw/zinc/75/06/69/352750669.db2.gz BASCXHYIYWHNOD-UHFFFAOYSA-N 1 0 210.664 1.698 10 0 BDAERO Cc1cc(O)ccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000080358382 187871781 /nfs/dbraw/zinc/87/17/81/187871781.db2.gz XLHMRJBUBBMMMM-SNVBAGLBSA-N 1 0 234.299 1.639 10 0 BDAERO COc1ncc([C@H]2CC[C@@H](C[NH3+])O2)s1 ZINC000307688697 352920894 /nfs/dbraw/zinc/92/08/94/352920894.db2.gz MDJVGMIEHYQGIZ-NKWVEPMBSA-N 1 0 214.290 1.331 10 0 BDAERO COc1ncc([C@@H]2CC[C@H](C[NH3+])O2)s1 ZINC000307688701 352920905 /nfs/dbraw/zinc/92/09/05/352920905.db2.gz MDJVGMIEHYQGIZ-RQJHMYQMSA-N 1 0 214.290 1.331 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCCC12CC2 ZINC000638833871 353016087 /nfs/dbraw/zinc/01/60/87/353016087.db2.gz ZPWKMHYCUHCBQJ-HBNTYKKESA-N 1 0 224.348 1.809 10 0 BDAERO [NH3+]CC[C@@H]([NH3+])c1cccnc1Br ZINC000306577132 353026467 /nfs/dbraw/zinc/02/64/67/353026467.db2.gz LBHBMVBYRBKZGU-SSDOTTSWSA-N 1 0 230.109 1.193 10 0 BDAERO CNc1ncc(C[NH2+]C)cc1Br ZINC000306315181 353003796 /nfs/dbraw/zinc/00/37/96/353003796.db2.gz AGAHBUNAVPZNQF-UHFFFAOYSA-N 1 0 230.109 1.605 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCC12CC2 ZINC000638831708 353011927 /nfs/dbraw/zinc/01/19/27/353011927.db2.gz AHBUHWWJSLJXKW-MXWKQRLJSA-N 1 0 222.332 1.291 10 0 BDAERO Cc1cncc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000638889597 353058043 /nfs/dbraw/zinc/05/80/43/353058043.db2.gz CFQWJJVFORGUIZ-ZYHUDNBSSA-N 1 0 233.315 1.057 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000638904863 353060466 /nfs/dbraw/zinc/06/04/66/353060466.db2.gz SJGFUOVBKHYSAM-RMPHRYRLSA-N 1 0 222.332 1.086 10 0 BDAERO C[C@H]1CN(C(=O)C2CCC=CCC2)C[C@H]1C[NH3+] ZINC000638899923 353062437 /nfs/dbraw/zinc/06/24/37/353062437.db2.gz DNRVCKVMFNNTLR-WCQYABFASA-N 1 0 236.359 1.786 10 0 BDAERO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CS1 ZINC000307332159 353068960 /nfs/dbraw/zinc/06/89/60/353068960.db2.gz CEBWICPIKXPZKB-BBBLOLIVSA-N 1 0 200.351 1.222 10 0 BDAERO C[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@@H]1C[NH3+] ZINC000638910398 353070806 /nfs/dbraw/zinc/07/08/06/353070806.db2.gz FAACVLLNWYBSAY-MNOVXSKESA-N 1 0 226.364 1.866 10 0 BDAERO C[C@H]1CN(C(=O)C2(C)CCC2)C[C@@H]1C[NH3+] ZINC000638913330 353071572 /nfs/dbraw/zinc/07/15/72/353071572.db2.gz LOUWGMMSRWRNHB-UWVGGRQHSA-N 1 0 210.321 1.230 10 0 BDAERO C[C@H]1CCSCCN1C[C@H]1CC[NH2+]1 ZINC000307385044 353072029 /nfs/dbraw/zinc/07/20/29/353072029.db2.gz KDJDSKDRJAVCSX-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO CC1(CN=S(C)(C)=O)CC[NH2+]CC1 ZINC000306830730 353041425 /nfs/dbraw/zinc/04/14/25/353041425.db2.gz JKGWZOYMBOCLRE-UHFFFAOYSA-N 1 0 204.339 1.104 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638887597 353049557 /nfs/dbraw/zinc/04/95/57/353049557.db2.gz WEISELTYAXRFRD-YPMHNXCESA-N 1 0 232.327 1.662 10 0 BDAERO C[C@H]1CN(C(=O)Cc2cccs2)C[C@@H]1C[NH3+] ZINC000638883871 353050970 /nfs/dbraw/zinc/05/09/70/353050970.db2.gz BWJKSKJMSPUDDM-UWVGGRQHSA-N 1 0 238.356 1.344 10 0 BDAERO C[C@@H]1CN(C(=O)COc2ccccc2)C[C@@H]1C[NH3+] ZINC000638888905 353052154 /nfs/dbraw/zinc/05/21/54/353052154.db2.gz YMGVORGYCHMLSB-NEPJUHHUSA-N 1 0 248.326 1.119 10 0 BDAERO Cc1ccsc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638885988 353052720 /nfs/dbraw/zinc/05/27/20/353052720.db2.gz PWEUYABJNYUWFO-UWVGGRQHSA-N 1 0 238.356 1.723 10 0 BDAERO Cc1ccccc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638885300 353052728 /nfs/dbraw/zinc/05/27/28/353052728.db2.gz NLZZNJIQORSZGR-RYUDHWBXSA-N 1 0 232.327 1.662 10 0 BDAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000638886701 353053359 /nfs/dbraw/zinc/05/33/59/353053359.db2.gz RKGYXAFXBTUHKH-KOLCDFICSA-N 1 0 233.315 1.057 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@@H]1C[NH3+] ZINC000638886167 353053488 /nfs/dbraw/zinc/05/34/88/353053488.db2.gz GSHRISCOTOXBHU-SCDSUCTJSA-N 1 0 244.338 1.380 10 0 BDAERO COc1ccccc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638886721 353053508 /nfs/dbraw/zinc/05/35/08/353053508.db2.gz RRBUTHPJZFPHJG-MNOVXSKESA-N 1 0 248.326 1.362 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1C[NH3+] ZINC000638893276 353054697 /nfs/dbraw/zinc/05/46/97/353054697.db2.gz YKQCZRFEMUPUCQ-KVSVUVNWSA-N 1 0 236.359 1.476 10 0 BDAERO C[C@@H](C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)C1CC1 ZINC000638894342 353055221 /nfs/dbraw/zinc/05/52/21/353055221.db2.gz OSMNURIVKRIAAT-KKZNHRDASA-N 1 0 210.321 1.086 10 0 BDAERO COc1cccc([C@@H](C[NH3+])C2(CO)CCC2)c1 ZINC000536952505 323958844 /nfs/dbraw/zinc/95/88/44/323958844.db2.gz DOTMMLBPLRDBOQ-CYBMUJFWSA-N 1 0 235.327 1.900 10 0 BDAERO CNc1cc2c(nn1)CC[N@H+](CC(C)C)C2 ZINC000223018993 353113259 /nfs/dbraw/zinc/11/32/59/353113259.db2.gz VKZRQMQEKUDUGJ-UHFFFAOYSA-N 1 0 220.320 1.532 10 0 BDAERO C[NH2+]Cc1ccc(Br)c(N)c1 ZINC000215339154 353124873 /nfs/dbraw/zinc/12/48/73/353124873.db2.gz LYKMXJQVISVOBK-UHFFFAOYSA-N 1 0 215.094 1.751 10 0 BDAERO COc1nc(C2=C(C)CC[NH2+]C2)cs1 ZINC000307752260 353128673 /nfs/dbraw/zinc/12/86/73/353128673.db2.gz RDCRSUBXMQLFIB-UHFFFAOYSA-N 1 0 210.302 1.919 10 0 BDAERO CCCCCN1C[C@H](CC[NH3+])OC1=O ZINC000077296864 168701244 /nfs/dbraw/zinc/70/12/44/168701244.db2.gz HIJUZGPTCMETPO-VIFPVBQESA-N 1 0 200.282 1.346 10 0 BDAERO [NH3+]C[C@@H](c1ccccc1O)C1(CO)CCC1 ZINC000536953452 323961499 /nfs/dbraw/zinc/96/14/99/323961499.db2.gz JOMPRIGQUQLCAP-NSHDSACASA-N 1 0 221.300 1.597 10 0 BDAERO [NH3+][C@@]1(c2c(F)cccc2Cl)C[C@@H](O)C1 ZINC000536961034 323974159 /nfs/dbraw/zinc/97/41/59/323974159.db2.gz VANYOXNTBQKPRO-XGAOUMNUSA-N 1 0 215.655 1.788 10 0 BDAERO C[C@@H]1C[NH+]=C(S[C@H]2CCSC2)N1 ZINC000405251724 353151844 /nfs/dbraw/zinc/15/18/44/353151844.db2.gz KCKTUNMHTYRUMH-RQJHMYQMSA-N 1 0 202.348 1.573 10 0 BDAERO C[C@@H]1C[C@H](C[NH3+])CN1c1ncnc2[nH]ccc21 ZINC000420223220 192178564 /nfs/dbraw/zinc/17/85/64/192178564.db2.gz ZSIOYMCZQGQCOI-RKDXNWHRSA-N 1 0 231.303 1.131 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@]12C[C@H]1CCCC2 ZINC000638976584 353181764 /nfs/dbraw/zinc/18/17/64/353181764.db2.gz AFPGOMDYVOQFBY-JFGNBEQYSA-N 1 0 210.321 1.563 10 0 BDAERO CN(C)c1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000036906707 363208098 /nfs/dbraw/zinc/20/80/98/363208098.db2.gz IASZBQFFUGGWAY-LBPRGKRZSA-N 1 0 247.342 1.234 10 0 BDAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000638996144 353239450 /nfs/dbraw/zinc/23/94/50/353239450.db2.gz JUSLKHVVXCDSDQ-MWLCHTKSSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@]2(C)CCOC2)S1 ZINC000229481052 353278530 /nfs/dbraw/zinc/27/85/30/353278530.db2.gz QWXAMKUSRFHDLB-APPZFPTMSA-N 1 0 200.307 1.246 10 0 BDAERO CC(C)([NH3+])c1csc(-c2cn[nH]n2)n1 ZINC000165247550 353263525 /nfs/dbraw/zinc/26/35/25/353263525.db2.gz CQURRWLHARUBLM-UHFFFAOYSA-N 1 0 209.278 1.122 10 0 BDAERO CSC[C@H](C)Nc1cc(N)[nH+]c(C)n1 ZINC000128326807 353285065 /nfs/dbraw/zinc/28/50/65/353285065.db2.gz KZSCOZUIXAVEBN-LURJTMIESA-N 1 0 212.322 1.531 10 0 BDAERO CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)C(C)(C)C ZINC000336773024 353324080 /nfs/dbraw/zinc/32/40/80/353324080.db2.gz YKNDVZSRCBSECF-VHSXEESVSA-N 1 0 212.337 1.631 10 0 BDAERO F[C@@H]1CC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000306520544 180942878 /nfs/dbraw/zinc/94/28/78/180942878.db2.gz KAVYBLDDSUEXKV-MNOVXSKESA-N 1 0 201.285 1.893 10 0 BDAERO FC(F)(F)Cn1cncc1C1C[NH2+]C1 ZINC000131168399 353364517 /nfs/dbraw/zinc/36/45/17/353364517.db2.gz FPJXJDSXCYJXAA-UHFFFAOYSA-N 1 0 205.183 1.132 10 0 BDAERO O[C@H](c1ncc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000223194365 353339091 /nfs/dbraw/zinc/33/90/91/353339091.db2.gz GUFRCWZUIXTBGD-FSPLSTOPSA-N 1 0 218.709 1.582 10 0 BDAERO CC1CCC(C[NH2+]C[C@@](C)(O)CO)CC1 ZINC000085251732 538116304 /nfs/dbraw/zinc/11/63/04/538116304.db2.gz HSJDVSWKJBWTIX-HTAVTVPLSA-N 1 0 215.337 1.146 10 0 BDAERO CC1CCC(C[NH2+]C[C@](C)(O)CO)CC1 ZINC000085251731 538116338 /nfs/dbraw/zinc/11/63/38/538116338.db2.gz HSJDVSWKJBWTIX-MCIGGMRASA-N 1 0 215.337 1.146 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000035055921 353433945 /nfs/dbraw/zinc/43/39/45/353433945.db2.gz XWJZWPDPJHHBQU-SKDRFNHKSA-N 1 0 244.294 1.410 10 0 BDAERO C[C@@H]1CC[S@](=O)C[C@@H](C2CCCC2)[NH2+]1 ZINC000231362692 353591483 /nfs/dbraw/zinc/59/14/83/353591483.db2.gz JZPPNKBRRYJPIQ-PUYPPJJSSA-N 1 0 215.362 1.676 10 0 BDAERO COc1ccc(OCC[C@@](C)(O)C[NH3+])cc1 ZINC000019668224 188461467 /nfs/dbraw/zinc/46/14/67/188461467.db2.gz LLZNRPZKTFUKAS-GFCCVEGCSA-N 1 0 225.288 1.174 10 0 BDAERO [NH3+]Cc1cccc(O[C@H]2CCC[C@H]2O)c1 ZINC000037699121 188462477 /nfs/dbraw/zinc/46/24/77/188462477.db2.gz LGPMGSBTIFABLR-NEPJUHHUSA-N 1 0 207.273 1.438 10 0 BDAERO CCN1CCC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000227525785 363240185 /nfs/dbraw/zinc/24/01/85/363240185.db2.gz HEXRVBSMKVEOML-LLVKDONJSA-N 1 0 212.337 1.097 10 0 BDAERO CN(C(=O)[C@@H]1CC1(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000231491553 353614994 /nfs/dbraw/zinc/61/49/94/353614994.db2.gz USSQQWQDWZTUNV-MNOVXSKESA-N 1 0 224.348 1.633 10 0 BDAERO Cc1ccc(C)c(CC[NH2+][C@H](C)CO)c1 ZINC000082532903 188477992 /nfs/dbraw/zinc/47/79/92/188477992.db2.gz DHJKKSVKSSTJIU-GFCCVEGCSA-N 1 0 207.317 1.816 10 0 BDAERO C(SC1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000062056272 188486654 /nfs/dbraw/zinc/48/66/54/188486654.db2.gz UBZLJDDIDOGWGO-JTQLQIEISA-N 1 0 215.362 1.898 10 0 BDAERO C(c1noc([C@H]2CCCO2)n1)[C@@H]1CCC[NH2+]C1 ZINC000063084723 188487045 /nfs/dbraw/zinc/48/70/45/188487045.db2.gz SIFZNKWROLOLQB-VHSXEESVSA-N 1 0 237.303 1.463 10 0 BDAERO Cc1nn(Cc2ccccn2)c(C)c1C[C@H](C)[NH3+] ZINC000062803250 188487391 /nfs/dbraw/zinc/48/73/91/188487391.db2.gz QSTSLAIRCUAYOU-JTQLQIEISA-N 1 0 244.342 1.833 10 0 BDAERO CC(C)=CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917379 358480485 /nfs/dbraw/zinc/48/04/85/358480485.db2.gz MCKQBSRXHJEFKW-QWHCGFSZSA-N 1 0 236.359 1.943 10 0 BDAERO CC1(C)CN(C/C=C/Cl)CCC[NH2+]1 ZINC000232791420 353763086 /nfs/dbraw/zinc/76/30/86/353763086.db2.gz CZGZOJJHCDYODS-HWKANZROSA-N 1 0 202.729 1.813 10 0 BDAERO Fc1cnc(SC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095072054 181019128 /nfs/dbraw/zinc/01/91/28/181019128.db2.gz PXLHCRGTDFFYPD-MRVPVSSYSA-N 1 0 227.308 1.707 10 0 BDAERO C1=[NH+]C[C@@H](CC2Cc3ccccc3C2)N1 ZINC000013862110 188526585 /nfs/dbraw/zinc/52/65/85/188526585.db2.gz OOIBKWSVXJWTHR-CYBMUJFWSA-N 1 0 200.285 1.792 10 0 BDAERO O=C1CCCCN1c1cccc2c1CC[NH2+]C2 ZINC000037372660 363276166 /nfs/dbraw/zinc/27/61/66/363276166.db2.gz BGMVSSLPFLNYMF-UHFFFAOYSA-N 1 0 230.311 1.849 10 0 BDAERO C/C(=C/Cl)CN1C[C@H](C)C[C@H]([NH3+])C1 ZINC000308113813 354014304 /nfs/dbraw/zinc/01/43/04/354014304.db2.gz SYTNTTMSPHNGSO-OVGMLNDJSA-N 1 0 202.729 1.798 10 0 BDAERO CC(C)[C@@H]1CN[C@H](c2ccccc2)C[NH2+]1 ZINC000062569175 188541228 /nfs/dbraw/zinc/54/12/28/188541228.db2.gz GSCBNCCBLVHBPB-STQMWFEESA-N 1 0 204.317 1.945 10 0 BDAERO N#Cc1ccc(NC[C@@H]2C[NH2+]CCCO2)c(F)c1 ZINC000390235376 354199674 /nfs/dbraw/zinc/19/96/74/354199674.db2.gz QIBRSBCVQSYUIJ-NSHDSACASA-N 1 0 249.289 1.488 10 0 BDAERO C[C@@H]1OCC[C@]1(C)[NH2+][C@H]1CCSC1 ZINC000308136260 354202352 /nfs/dbraw/zinc/20/23/52/354202352.db2.gz OKAXHNSCRLDXGK-GUBZILKMSA-N 1 0 201.335 1.649 10 0 BDAERO CCC1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000334593950 354225714 /nfs/dbraw/zinc/22/57/14/354225714.db2.gz CHEWHYQIDBHLNW-WDEREUQCSA-N 1 0 228.311 1.335 10 0 BDAERO CC1(C)CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000334595061 354227820 /nfs/dbraw/zinc/22/78/20/354227820.db2.gz MFBFNHYDEMRVFY-VHSXEESVSA-N 1 0 228.311 1.335 10 0 BDAERO CCC(C)(C)CC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344698079 354336454 /nfs/dbraw/zinc/33/64/54/354336454.db2.gz CSNNOCVQYFZYGF-RYUDHWBXSA-N 1 0 229.364 1.894 10 0 BDAERO COCCn1cccc1[C@H]1CCC[NH2+]C1 ZINC000521401228 259455224 /nfs/dbraw/zinc/45/52/24/259455224.db2.gz VVHQLTTWXXPSDR-NSHDSACASA-N 1 0 208.305 1.602 10 0 BDAERO CCn1c(C)nnc1CSCC[NH+](C)C ZINC000179169526 366216851 /nfs/dbraw/zinc/21/68/51/366216851.db2.gz GOZMEKPPXAIGAS-UHFFFAOYSA-N 1 0 228.365 1.401 10 0 BDAERO C[C@@H]1OC[C@@H](NC(=[NH2+])NCc2ccccc2)[C@@H]1C ZINC000405675691 354645720 /nfs/dbraw/zinc/64/57/20/354645720.db2.gz RXWYNLCTWGOSPJ-NTZNESFSSA-N 1 0 247.342 1.724 10 0 BDAERO CCN(CC)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113305965 354651741 /nfs/dbraw/zinc/65/17/41/354651741.db2.gz OECOSYXDFLYVOO-RYUDHWBXSA-N 1 0 239.363 1.617 10 0 BDAERO CCCCOCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232987952 363390516 /nfs/dbraw/zinc/39/05/16/363390516.db2.gz GTEAZGCJQKUYOP-MNOVXSKESA-N 1 0 200.326 1.082 10 0 BDAERO CC[C@H](C)CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233988640 363411727 /nfs/dbraw/zinc/41/17/27/363411727.db2.gz GSCLIHRTDBDOLI-HBNTYKKESA-N 1 0 212.337 1.346 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccns1 ZINC000639227176 355059632 /nfs/dbraw/zinc/05/96/32/355059632.db2.gz IICXCFKBYSIDGL-WPRPVWTQSA-N 1 0 212.318 1.488 10 0 BDAERO CC(C)c1nccnc1NC[C@@H](C)[NH+](C)C ZINC000413086969 191355283 /nfs/dbraw/zinc/35/52/83/191355283.db2.gz UADZREAXWAQUBJ-SNVBAGLBSA-N 1 0 222.336 1.384 10 0 BDAERO NC(=[NH2+])CCCN1CCc2ccccc21 ZINC000019469990 181187115 /nfs/dbraw/zinc/18/71/15/181187115.db2.gz ZHCRCLAPKGJHON-UHFFFAOYSA-N 1 0 203.289 1.765 10 0 BDAERO NC(=[NH2+])CCOc1ccc(F)cc1F ZINC000019489128 181186623 /nfs/dbraw/zinc/18/66/23/181186623.db2.gz NJDPLNWDVQDZDO-UHFFFAOYSA-N 1 0 200.188 1.670 10 0 BDAERO NC(=[NH2+])N1Cc2cccc3c2[C@H](CCC3)C1 ZINC000027767284 181188114 /nfs/dbraw/zinc/18/81/14/181188114.db2.gz YFGDVKLROYFRRV-LLVKDONJSA-N 1 0 215.300 1.816 10 0 BDAERO NC(=[NH2+])Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000019477400 181188673 /nfs/dbraw/zinc/18/86/73/181188673.db2.gz HKQXIXAAHYIESK-GFCCVEGCSA-N 1 0 234.299 1.723 10 0 BDAERO NC(=[NH2+])c1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000104241253 181193951 /nfs/dbraw/zinc/19/39/51/181193951.db2.gz WMAGVDUCFRSRPF-VIFPVBQESA-N 1 0 238.262 1.668 10 0 BDAERO C[C@@H]1CCN[C@@]2(CCC[N@H+](C)C2)S1 ZINC000134357879 355502246 /nfs/dbraw/zinc/50/22/46/355502246.db2.gz GJEKISWXZYDEPI-ZJUUUORDSA-N 1 0 200.351 1.523 10 0 BDAERO NC(=[NH2+])c1ccc(N(CCO)C2CC2)c(F)c1 ZINC000042479653 181195026 /nfs/dbraw/zinc/19/50/26/181195026.db2.gz MDMUOENARCJXFF-UHFFFAOYSA-N 1 0 237.278 1.071 10 0 BDAERO NC(=[NH2+])c1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000019866258 181195426 /nfs/dbraw/zinc/19/54/26/181195426.db2.gz PLCZXEMEWHXQMZ-LBPRGKRZSA-N 1 0 234.299 1.919 10 0 BDAERO NC(=O)[C@@]1(O)CCC[N@H+](CC2CCCCC2)C1 ZINC000336322449 181205011 /nfs/dbraw/zinc/20/50/11/181205011.db2.gz CCCQHKQQFWQXKC-CYBMUJFWSA-N 1 0 240.347 1.929 10 0 BDAERO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC1(O)CC1 ZINC000329945021 181205152 /nfs/dbraw/zinc/20/51/52/181205152.db2.gz IUVRDWNVRGOICN-MXWKQRLJSA-N 1 0 238.331 1.537 10 0 BDAERO CN1C[C@@H](C[NH2+]CC2CCSCC2)CC1=O ZINC000639320520 355721150 /nfs/dbraw/zinc/72/11/50/355721150.db2.gz IZAJPLYFEBCGPE-LLVKDONJSA-N 1 0 242.388 1.198 10 0 BDAERO [NH2+]=C1SCCN1CC(=O)c1ccc(O)cc1 ZINC000004076684 181207977 /nfs/dbraw/zinc/20/79/77/181207977.db2.gz NOLVEHAFAGVGSY-UHFFFAOYSA-N 1 0 236.296 1.558 10 0 BDAERO CCn1cc([C@H](C)[NH2+][C@H]2CCN(CC)C2)cn1 ZINC000389148976 355731339 /nfs/dbraw/zinc/73/13/39/355731339.db2.gz IYYCBWKSHASQFR-AAEUAGOBSA-N 1 0 236.363 1.648 10 0 BDAERO C[NH+](C)CCCN1CCCc2cc(N)ccc21 ZINC000084828097 355838553 /nfs/dbraw/zinc/83/85/53/355838553.db2.gz YLXIFTRQKCLSEO-UHFFFAOYSA-N 1 0 233.359 1.973 10 0 BDAERO NC(=O)C1=CC=C[N@H+](Cc2ccccc2)C1 ZINC000039432014 181215449 /nfs/dbraw/zinc/21/54/49/181215449.db2.gz QQYMLLWURQVAJN-UHFFFAOYSA-N 1 0 214.268 1.428 10 0 BDAERO O=S(=O)(c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000168443320 355830139 /nfs/dbraw/zinc/83/01/39/355830139.db2.gz GQXCTNOGKLWGSJ-QMMMGPOBSA-N 1 0 245.731 1.476 10 0 in-vitro BDAERO C[C@@H](NC(N)=[NH2+])c1ccc(Br)cc1 ZINC000053278569 355919995 /nfs/dbraw/zinc/91/99/95/355919995.db2.gz YCVFSECGEPBKPS-ZCFIWIBFSA-N 1 0 242.120 1.993 10 0 BDAERO NC(=O)CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000044352922 181223939 /nfs/dbraw/zinc/22/39/39/181223939.db2.gz GCTLRUBNKMBVPT-NSHDSACASA-N 1 0 210.321 1.516 10 0 BDAERO NC(=O)C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000036840676 181235855 /nfs/dbraw/zinc/23/58/55/181235855.db2.gz ZXCAPVDDOLBJTE-UHFFFAOYSA-N 1 0 238.718 1.661 10 0 BDAERO NC(=O)CCNC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000036747637 181225199 /nfs/dbraw/zinc/22/51/99/181225199.db2.gz NIAHJQBQKJKKDQ-JTQLQIEISA-N 1 0 249.339 1.296 10 0 BDAERO NC(=O)CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000036747027 181225803 /nfs/dbraw/zinc/22/58/03/181225803.db2.gz KHQDBJKFINFACQ-ZDUSSCGKSA-N 1 0 232.327 1.919 10 0 BDAERO NC(=O)CC[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000037483872 181226694 /nfs/dbraw/zinc/22/66/94/181226694.db2.gz NWBXOLMHJGWCGQ-GFCCVEGCSA-N 1 0 218.300 1.441 10 0 BDAERO NC(=O)CC[C@@H]([NH3+])c1ccc(F)cc1F ZINC000037483772 181226838 /nfs/dbraw/zinc/22/68/38/181226838.db2.gz ONYSSOMIOAKWQA-SECBINFHSA-N 1 0 214.215 1.230 10 0 BDAERO NC(=O)CC[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000037483819 181227665 /nfs/dbraw/zinc/22/76/65/181227665.db2.gz JVQGRJXHORHTEQ-VIFPVBQESA-N 1 0 212.680 1.605 10 0 BDAERO NC(=O)CCn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000036890220 181228173 /nfs/dbraw/zinc/22/81/73/181228173.db2.gz GSOHMFLGJLFEFX-UHFFFAOYSA-N 1 0 238.678 1.147 10 0 BDAERO NC(=O)CC[C@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000037483873 181228272 /nfs/dbraw/zinc/22/82/72/181228272.db2.gz NWBXOLMHJGWCGQ-LBPRGKRZSA-N 1 0 218.300 1.441 10 0 BDAERO C[C@@H]1C[N@H+](CC2(O)CCC2)CCS1 ZINC000335915881 356155735 /nfs/dbraw/zinc/15/57/35/356155735.db2.gz KJVQNIMJCRVASB-SECBINFHSA-N 1 0 201.335 1.339 10 0 BDAERO C[C@@]1(C[NH3+])CCN(c2ncnc3[nH]ccc32)C1 ZINC000420242908 192184467 /nfs/dbraw/zinc/18/44/67/192184467.db2.gz NMPSWYUGHCHSBT-LBPRGKRZSA-N 1 0 231.303 1.133 10 0 BDAERO NNc1cc(NCCc2ccccc2)nc[nH+]1 ZINC000087904892 356240734 /nfs/dbraw/zinc/24/07/34/356240734.db2.gz HZJXRWRZTVPESK-UHFFFAOYSA-N 1 0 229.287 1.417 10 0 BDAERO NC(=O)[C@@H]1C[NH2+]C[C@@H](c2ccccc2F)C1 ZINC000082162818 181272352 /nfs/dbraw/zinc/27/23/52/181272352.db2.gz AYOYUOMWWVLYQT-IUCAKERBSA-N 1 0 222.263 1.004 10 0 BDAERO C[C@H]1CSCCN1C[C@@](C)([NH3+])C1CC1 ZINC000226403123 356478712 /nfs/dbraw/zinc/47/87/12/356478712.db2.gz MKEYHTRYGHWONL-GXSJLCMTSA-N 1 0 214.378 1.551 10 0 BDAERO NC(=O)[C@H]([NH2+]C1CCCC1)c1ccccc1F ZINC000037969003 181278379 /nfs/dbraw/zinc/27/83/79/181278379.db2.gz LLUBXURHTOBAOZ-GFCCVEGCSA-N 1 0 236.290 1.884 10 0 BDAERO CCCc1nccnc1N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630090596 363491952 /nfs/dbraw/zinc/49/19/52/363491952.db2.gz CIQSQMVEHZXISU-WDEREUQCSA-N 1 0 234.347 1.460 10 0 BDAERO [NH3+]CC[C@H](O)c1cncc(Br)c1 ZINC000125165329 538464085 /nfs/dbraw/zinc/46/40/85/538464085.db2.gz SXKGPTGWAFFDRI-QMMMGPOBSA-N 1 0 231.093 1.226 10 0 BDAERO [NH3+]CC[C@@H](O)c1cncc(Br)c1 ZINC000125165114 538464140 /nfs/dbraw/zinc/46/41/40/538464140.db2.gz SXKGPTGWAFFDRI-MRVPVSSYSA-N 1 0 231.093 1.226 10 0 BDAERO CCCC(=O)N1CC[C@@]2(C[NH3+])CCC[C@@H]12 ZINC000675056910 538479394 /nfs/dbraw/zinc/47/93/94/538479394.db2.gz YZAPQELDNYUAGR-ZYHUDNBSSA-N 1 0 210.321 1.516 10 0 BDAERO O=C(CC1CC1)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675055698 538476422 /nfs/dbraw/zinc/47/64/22/538476422.db2.gz ZXWBMUHSMHMJSO-UHFFFAOYSA-N 1 0 236.359 1.920 10 0 BDAERO [NH3+]C[C@]12CCC[C@H]1N(C(=O)CC1CC1)CC2 ZINC000675055981 538476946 /nfs/dbraw/zinc/47/69/46/538476946.db2.gz GJPNMKISVQECEB-DGCLKSJQSA-N 1 0 222.332 1.516 10 0 BDAERO C[C@H](CO)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000389410552 356641926 /nfs/dbraw/zinc/64/19/26/356641926.db2.gz OSOFSYORUSLJKH-WDEREUQCSA-N 1 0 217.353 1.392 10 0 BDAERO CC[C@@H](C)[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056852 538478880 /nfs/dbraw/zinc/47/88/80/538478880.db2.gz QVIXBXHTHFGNHL-SNVBAGLBSA-N 1 0 245.388 1.732 10 0 BDAERO CC(C)[NH+](C[C@@H]1CC[C@H](CO)O1)C(C)C ZINC000675059539 538484538 /nfs/dbraw/zinc/48/45/38/538484538.db2.gz RSGBUMMKFNUEGY-NWDGAFQWSA-N 1 0 215.337 1.645 10 0 BDAERO C[C@H](C(=O)N1CCO[C@](C)(C[NH3+])C1)C(C)(C)C ZINC000675060043 538485418 /nfs/dbraw/zinc/48/54/18/538485418.db2.gz ZRGXVEWOCLSHJH-ZWNOBZJWSA-N 1 0 242.363 1.245 10 0 BDAERO CCCc1cn2c(n1)[C@H](CCOC)[NH2+]CCC2 ZINC000675068138 538495722 /nfs/dbraw/zinc/49/57/22/538495722.db2.gz MYQDZYSJWIGSKQ-LBPRGKRZSA-N 1 0 237.347 1.907 10 0 BDAERO CC(C)C(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675068827 538496805 /nfs/dbraw/zinc/49/68/05/538496805.db2.gz DVRHMCKXJYVBEO-ZNSHCXBVSA-N 1 0 210.321 1.132 10 0 BDAERO CC(C)(C)NC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675070150 538499980 /nfs/dbraw/zinc/49/99/80/538499980.db2.gz MJONRXBJCNWFBB-UKKRHICBSA-N 1 0 239.363 1.458 10 0 BDAERO CCCCNC(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070617 538501260 /nfs/dbraw/zinc/50/12/60/538501260.db2.gz QEDLEHMZSQSFSR-ZYHUDNBSSA-N 1 0 225.336 1.228 10 0 BDAERO COC(=O)[C@@H](C[NH3+])[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000675072244 538502396 /nfs/dbraw/zinc/50/23/96/538502396.db2.gz AIEXRAHPUSSBPU-ZDCRXTMVSA-N 1 0 213.321 1.807 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000163005754 202142193 /nfs/dbraw/zinc/14/21/93/202142193.db2.gz NCRTVWKMTMJXJN-NSHDSACASA-N 1 0 215.337 1.648 10 0 BDAERO CCCNC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675069514 538498526 /nfs/dbraw/zinc/49/85/26/538498526.db2.gz HUKOKPWEGROLOM-CHWFTXMASA-N 1 0 225.336 1.069 10 0 BDAERO O[C@H]1C=C(c2ccc(F)c(F)c2)C[NH2+]C1 ZINC000675077790 538513693 /nfs/dbraw/zinc/51/36/93/538513693.db2.gz RHCTTWDESIETCX-VIFPVBQESA-N 1 0 211.211 1.312 10 0 BDAERO N[C@H]1C=C(Cc2cccc(F)c2)C[NH2+]C1 ZINC000675077727 538513758 /nfs/dbraw/zinc/51/37/58/538513758.db2.gz HPVAGYLFAONCOU-LBPRGKRZSA-N 1 0 206.264 1.225 10 0 BDAERO Cc1cc(F)ccc1C1=C[C@@H](N)C[NH2+]C1 ZINC000675077555 538513780 /nfs/dbraw/zinc/51/37/80/538513780.db2.gz OEVNMCBGQBXKOQ-LLVKDONJSA-N 1 0 206.264 1.448 10 0 BDAERO N[C@H]1C=C(Cc2csc(Cl)c2)C[NH2+]C1 ZINC000675077806 538513804 /nfs/dbraw/zinc/51/38/04/538513804.db2.gz IWVHZXYLTXOUAJ-VIFPVBQESA-N 1 0 228.748 1.801 10 0 BDAERO CC1=C[C@H](NC(=O)OC(C)(C)C)C[NH2+]C1 ZINC000675077809 538514036 /nfs/dbraw/zinc/51/40/36/538514036.db2.gz IXVDMLJXJQEJRI-VIFPVBQESA-N 1 0 212.293 1.429 10 0 BDAERO O[C@H]1C=C(Cc2ccsc2Cl)C[NH2+]C1 ZINC000675077902 538515269 /nfs/dbraw/zinc/51/52/69/538515269.db2.gz SVYCMLVYLZYPOQ-VIFPVBQESA-N 1 0 229.732 1.835 10 0 BDAERO COC1CCC(C2=C[C@@H](N)C[NH2+]C2)CC1 ZINC000675078485 538515909 /nfs/dbraw/zinc/51/59/09/538515909.db2.gz QBSWTOVRXYUKSZ-CKBZRRDASA-N 1 0 210.321 1.049 10 0 BDAERO N[C@@H]1C=C(Cc2cccc(Cl)c2)C[NH2+]C1 ZINC000675078807 538516234 /nfs/dbraw/zinc/51/62/34/538516234.db2.gz TYEJRCZDCXNGKR-GFCCVEGCSA-N 1 0 222.719 1.739 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000389485970 356691742 /nfs/dbraw/zinc/69/17/42/356691742.db2.gz YMDOCQKMWJJFTE-UONOGXRCSA-N 1 0 240.391 1.611 10 0 BDAERO Cc1ccc(F)c(C2=C[C@H]([NH3+])CNC2)c1 ZINC000675079455 538518707 /nfs/dbraw/zinc/51/87/07/538518707.db2.gz YYOHORWUFMSYSM-JTQLQIEISA-N 1 0 206.264 1.448 10 0 BDAERO O[C@@H]1C=C(CCc2ccccc2)C[NH2+]C1 ZINC000675077018 538511999 /nfs/dbraw/zinc/51/19/99/538511999.db2.gz IMMIXXLZMLMFEN-CYBMUJFWSA-N 1 0 203.285 1.510 10 0 BDAERO O[C@H]1C=C(c2cccc(F)c2F)C[NH2+]C1 ZINC000675077281 538512193 /nfs/dbraw/zinc/51/21/93/538512193.db2.gz KTWONUPVYOYUAK-QMMMGPOBSA-N 1 0 211.211 1.312 10 0 BDAERO COc1ccccc1C1=C[C@@H](N)C[NH2+]C1 ZINC000675077338 538512273 /nfs/dbraw/zinc/51/22/73/538512273.db2.gz COKPHGJOLREJQR-SNVBAGLBSA-N 1 0 204.273 1.009 10 0 BDAERO N[C@@H]1C=C(Cc2ccccc2F)C[NH2+]C1 ZINC000675077267 538512412 /nfs/dbraw/zinc/51/24/12/538512412.db2.gz BSPSKINRGDAPOA-LLVKDONJSA-N 1 0 206.264 1.225 10 0 BDAERO COCC[NH2+]C[C@@H](C)CC(C)(C)OC ZINC000084327888 538532774 /nfs/dbraw/zinc/53/27/74/538532774.db2.gz AVGWMSQCVBHBLZ-JTQLQIEISA-N 1 0 203.326 1.674 10 0 BDAERO Cc1ncsc1[C@@H]([NH3+])c1cnn(C)c1 ZINC000160395203 356699034 /nfs/dbraw/zinc/69/90/34/356699034.db2.gz HFYTZZKESIZFPY-QMMMGPOBSA-N 1 0 208.290 1.233 10 0 BDAERO CC[C@@H](C[NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000085923497 538548920 /nfs/dbraw/zinc/54/89/20/538548920.db2.gz PMMBZZCUHWLJGY-JTQLQIEISA-N 1 0 229.320 1.020 10 0 BDAERO Cn1cc(C(=O)C[C@@H]2CCCC[NH2+]2)cn1 ZINC000086499753 538555751 /nfs/dbraw/zinc/55/57/51/538555751.db2.gz CZSWTZAZJZMSFL-JTQLQIEISA-N 1 0 207.277 1.135 10 0 BDAERO COC(OC)C(=O)C[C@H]1CCCCC[NH2+]1 ZINC000086499872 538555797 /nfs/dbraw/zinc/55/57/97/538555797.db2.gz BJRSXEYLPUOZLS-SECBINFHSA-N 1 0 215.293 1.097 10 0 BDAERO CC(C)C[C@@H](C[NH3+])CC(=O)O[C@H]1CCOC1 ZINC000083862732 538525518 /nfs/dbraw/zinc/52/55/18/538525518.db2.gz RZMVYOBKQJTRRS-MNOVXSKESA-N 1 0 229.320 1.330 10 0 BDAERO COCC[NH2+]CCc1ccccc1COC ZINC000083969062 538525777 /nfs/dbraw/zinc/52/57/77/538525777.db2.gz SQQWRQIFVCVXQJ-UHFFFAOYSA-N 1 0 223.316 1.612 10 0 BDAERO CC(C)c1c(Br)c(C[NH3+])nn1C ZINC000222764276 538584289 /nfs/dbraw/zinc/58/42/89/538584289.db2.gz MFCVWGCMXCUUJK-UHFFFAOYSA-N 1 0 232.125 1.765 10 0 BDAERO C[C@@H]1COC[C@@H](CC(=O)c2cscn2)[NH2+]1 ZINC000130389515 538590165 /nfs/dbraw/zinc/59/01/65/538590165.db2.gz HSGRIWJHGKEXFB-HTQZYQBOSA-N 1 0 226.301 1.093 10 0 BDAERO C[C@H](C[NH3+])[C@H](O)c1ncc(Cl)s1 ZINC000223309709 538593320 /nfs/dbraw/zinc/59/33/20/538593320.db2.gz UKMXHFLADPOPLD-XINAWCOVSA-N 1 0 206.698 1.425 10 0 BDAERO CC(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000225350943 538602499 /nfs/dbraw/zinc/60/24/99/538602499.db2.gz CXMYPCQXPRHFHD-CMPLNLGQSA-N 1 0 207.273 1.508 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000389517756 356901550 /nfs/dbraw/zinc/90/15/50/356901550.db2.gz GIKZFHYHQPTRSN-WUHRBBMRSA-N 1 0 238.375 1.484 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000389537770 356982128 /nfs/dbraw/zinc/98/21/28/356982128.db2.gz JODBXVXWTFLSPK-DCAQKATOSA-N 1 0 200.326 1.094 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000389553448 356988736 /nfs/dbraw/zinc/98/87/36/356988736.db2.gz QAKJSGHZKGSFEH-GWCFXTLKSA-N 1 0 237.322 1.966 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000157183553 538812121 /nfs/dbraw/zinc/81/21/21/538812121.db2.gz OTHYDMBRJQUHRS-JQWIXIFHSA-N 1 0 212.337 1.537 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CC1=CCCOC1 ZINC000123437343 357227193 /nfs/dbraw/zinc/22/71/93/357227193.db2.gz BNICEUUGVSPWPI-AWEZNQCLSA-N 1 0 238.375 1.749 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@H](O)C1CCC1 ZINC000300053356 357180372 /nfs/dbraw/zinc/18/03/72/357180372.db2.gz PBZOGXDATCJMQG-NXEZZACHSA-N 1 0 201.335 1.195 10 0 BDAERO CC[C@@H](CCO)[NH2+]C[C@H](O)C(C)(C)C ZINC000393661369 357291299 /nfs/dbraw/zinc/29/12/99/357291299.db2.gz URRYVGQAGOFDHR-UWVGGRQHSA-N 1 0 203.326 1.144 10 0 BDAERO CS[C@H](CO)[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000393731662 357294337 /nfs/dbraw/zinc/29/43/37/357294337.db2.gz BQPOIIVPZCWVEE-OPRDCNLKSA-N 1 0 235.393 1.095 10 0 BDAERO CS[C@H](CO)[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000393731659 357294378 /nfs/dbraw/zinc/29/43/78/357294378.db2.gz BQPOIIVPZCWVEE-AEJSXWLSSA-N 1 0 235.393 1.095 10 0 BDAERO CS[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000393731661 357294392 /nfs/dbraw/zinc/29/43/92/357294392.db2.gz BQPOIIVPZCWVEE-IVZWLZJFSA-N 1 0 235.393 1.095 10 0 BDAERO FC1(C[NH2+]C[C@H]2CCCn3ccnc32)CC1 ZINC000381479781 357267959 /nfs/dbraw/zinc/26/79/59/357267959.db2.gz CKBAWFXPVMIVOH-SNVBAGLBSA-N 1 0 223.295 1.852 10 0 BDAERO CC(C)[C@H](CO)C[NH2+]C[C@H](O)C(C)(C)C ZINC000394025451 357315086 /nfs/dbraw/zinc/31/50/86/357315086.db2.gz BNVYUEUOVJLCRZ-QWRGUYRKSA-N 1 0 217.353 1.248 10 0 BDAERO CC(C)[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000394077484 357322884 /nfs/dbraw/zinc/32/28/84/357322884.db2.gz WGNUQEMGYBOOIC-QJPTWQEYSA-N 1 0 215.337 1.144 10 0 BDAERO CCC(CC)C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404038663 357382859 /nfs/dbraw/zinc/38/28/59/357382859.db2.gz ZNKXUGSRJQFQRS-RYUDHWBXSA-N 1 0 240.347 1.012 10 0 BDAERO CCOc1nccnc1N1CCC[C@H](C[NH3+])C1 ZINC000582835663 357411963 /nfs/dbraw/zinc/41/19/63/357411963.db2.gz IVZSYSRMRSYHQX-SNVBAGLBSA-N 1 0 236.319 1.050 10 0 BDAERO [NH3+][C@H]1c2c(Br)cccc2CC[C@H]1O ZINC000039941498 491110669 /nfs/dbraw/zinc/11/06/69/491110669.db2.gz ACUGHLWGEVRFJO-PSASIEDQSA-N 1 0 242.116 1.756 10 0 BDAERO COc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cn1 ZINC000158083031 538850098 /nfs/dbraw/zinc/85/00/98/538850098.db2.gz OAENZJPEDWEMIW-RYUDHWBXSA-N 1 0 236.315 1.483 10 0 BDAERO FC(F)COCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000188781193 357573601 /nfs/dbraw/zinc/57/36/01/357573601.db2.gz VDPGFUDDRSRPOM-QWRGUYRKSA-N 1 0 249.301 1.912 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccs1 ZINC000085790274 357622584 /nfs/dbraw/zinc/62/25/84/357622584.db2.gz HXSULRXTWJHYCY-GHMZBOCLSA-N 1 0 240.372 1.729 10 0 BDAERO CCOC(=O)c1ccc2c(c1)C[C@H]([NH3+])C2 ZINC000261267632 538859875 /nfs/dbraw/zinc/85/98/75/538859875.db2.gz IFKPYCBJMWEOLP-LLVKDONJSA-N 1 0 205.257 1.289 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000230955040 357586405 /nfs/dbraw/zinc/58/64/05/357586405.db2.gz XRVJMYCVCKOIBO-CYBMUJFWSA-N 1 0 238.306 1.958 10 0 BDAERO C[C@@H]1C(=O)NCCCN1Cc1ccc(F)cc1 ZINC000189074609 357603541 /nfs/dbraw/zinc/60/35/41/357603541.db2.gz CVQUULUIEUYWRZ-SNVBAGLBSA-N 1 0 236.290 1.536 10 0 BDAERO CC[C@@H](C[NH3+])[C@@H](O)c1nc(C)cs1 ZINC000159703057 538878855 /nfs/dbraw/zinc/87/88/55/538878855.db2.gz CWOYDLPXOXEHEL-JGVFFNPUSA-N 1 0 200.307 1.470 10 0 BDAERO C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H]1CCCO1 ZINC000392765162 357640959 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GLEKDIPVPGPERF-UHFFFAOYSA-N 1 0 245.326 1.263 10 0 BDAERO Cc1cc(C(=O)N(C)C2C[NH2+]C2)sc1C ZINC000085257792 134270904 /nfs/dbraw/zinc/27/09/04/134270904.db2.gz MNMOJBJEPNLVKT-UHFFFAOYSA-N 1 0 224.329 1.409 10 0 BDAERO C[C@@H]1[N@H+](C)CC[C@@]1(O)Cc1ccccc1 ZINC000584635245 358319548 /nfs/dbraw/zinc/31/95/48/358319548.db2.gz NREIXLFVQOHUDO-WCQYABFASA-N 1 0 205.301 1.684 10 0 BDAERO COc1cccc([C@@]2(O)CC[N@H+](C)[C@H]2C)c1 ZINC000584635326 358319609 /nfs/dbraw/zinc/31/96/09/358319609.db2.gz UHXTVLYSCXZNJK-GXFFZTMASA-N 1 0 221.300 1.607 10 0 BDAERO c1cc2c3c(c1)[C@H](C1COC1)CCN3CC[NH2+]C2 ZINC000584640091 358325724 /nfs/dbraw/zinc/32/57/24/358325724.db2.gz OPCNSZBPRSWUBO-ZDUSSCGKSA-N 1 0 244.338 1.730 10 0 BDAERO CN(CC[NH2+][C@@H]1CCCC[C@H]1O)C1CCCC1 ZINC000226230141 358336736 /nfs/dbraw/zinc/33/67/36/358336736.db2.gz YSXBMMSLXJRVGH-ZIAGYGMSSA-N 1 0 240.391 1.754 10 0 BDAERO CCOC(=O)[C@H]1CCCN1C[C@@H]1CCC[N@@H+]1C ZINC000387471119 366411903 /nfs/dbraw/zinc/41/19/03/366411903.db2.gz TXDAYALNIZBHMZ-NWDGAFQWSA-N 1 0 240.347 1.108 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CC=CCC2)C1 ZINC000228223692 358370377 /nfs/dbraw/zinc/37/03/77/358370377.db2.gz SQGIIFLIQZPWEG-AXFHLTTASA-N 1 0 208.305 1.339 10 0 BDAERO CC(C)Oc1cncc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000228268014 358372120 /nfs/dbraw/zinc/37/21/20/358372120.db2.gz AVYGWYJHCSLTTP-UWVGGRQHSA-N 1 0 238.335 1.802 10 0 BDAERO C[C@H](CCCO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000229584704 358404351 /nfs/dbraw/zinc/40/43/51/358404351.db2.gz KMMNCYPNWOIDHE-GMTAPVOTSA-N 1 0 201.310 1.041 10 0 BDAERO Cc1cnccc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000228688582 358383508 /nfs/dbraw/zinc/38/35/08/358383508.db2.gz HMWRJQZVACFTHK-LBPRGKRZSA-N 1 0 247.342 1.396 10 0 BDAERO Cc1cc(CNC[C@H]2CCC[NH2+]C2)on1 ZINC000045011542 358398455 /nfs/dbraw/zinc/39/84/55/358398455.db2.gz WGBLMZJVJXIYSW-JTQLQIEISA-N 1 0 209.293 1.072 10 0 BDAERO C[C@@H]([C@@H](O)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000044116390 358403890 /nfs/dbraw/zinc/40/38/90/358403890.db2.gz ABRRXYGIIRNEFU-GXTWGEPZSA-N 1 0 234.343 1.356 10 0 BDAERO COCC[C@@H](COC)[NH2+]C[C@H](O)C(C)(C)C ZINC000309414255 358447180 /nfs/dbraw/zinc/44/71/80/358447180.db2.gz XCCGGYQHKKBAKK-QWRGUYRKSA-N 1 0 233.352 1.035 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC(F)F)C1 ZINC000174233518 134279682 /nfs/dbraw/zinc/27/96/82/134279682.db2.gz NGLBDOKEDUXNOX-QMMMGPOBSA-N 1 0 235.278 1.035 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000045620483 358564431 /nfs/dbraw/zinc/56/44/31/358564431.db2.gz VIBREHWLTFHXBQ-AVGNSLFASA-N 1 0 227.348 1.791 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1nccn(CC)c1=O ZINC000130592086 358633522 /nfs/dbraw/zinc/63/35/22/358633522.db2.gz IJJHDYNZEAAOBE-SNVBAGLBSA-N 1 0 238.335 1.193 10 0 BDAERO NC(=O)c1ccc(NC2CC([NH3+])C2)c(Cl)c1 ZINC000062791284 181298287 /nfs/dbraw/zinc/29/82/87/181298287.db2.gz ZLXDZGVYEGGZDA-UHFFFAOYSA-N 1 0 239.706 1.341 10 0 BDAERO COc1cc(C)nc(C[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000214098068 358753643 /nfs/dbraw/zinc/75/36/43/358753643.db2.gz 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C[C@@H]1SC[C@H](C2=[NH+]CCN2)S[C@H]1C ZINC000306449074 360015817 /nfs/dbraw/zinc/01/58/17/360015817.db2.gz XZGRAYAQKRJRBZ-BIIVOSGPSA-N 1 0 216.375 1.614 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CCCSC1 ZINC000306444926 360004725 /nfs/dbraw/zinc/00/47/25/360004725.db2.gz AOZSPXYWWKSDPU-BBBLOLIVSA-N 1 0 200.351 1.304 10 0 BDAERO CCn1ccc([C@H]2[NH2+]C[C@]23CCOC3)c1 ZINC000536956906 360007501 /nfs/dbraw/zinc/00/75/01/360007501.db2.gz APDZJIFOWVEWCR-NEPJUHHUSA-N 1 0 206.289 1.559 10 0 BDAERO Cc1cccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1O ZINC000091496216 360118823 /nfs/dbraw/zinc/11/88/23/360118823.db2.gz CFHPYCKDYSWZMC-ZYHUDNBSSA-N 1 0 248.326 1.571 10 0 BDAERO O[C@H](c1cscc1Br)C1C[NH2+]C1 ZINC000306499694 360251699 /nfs/dbraw/zinc/25/16/99/360251699.db2.gz WNJSHBRKXZUOBZ-QMMMGPOBSA-N 1 0 248.145 1.763 10 0 BDAERO Cc1csc(-c2nnc(CC[NH3+])o2)c1 ZINC000306492530 360218359 /nfs/dbraw/zinc/21/83/59/360218359.db2.gz QATLWAFANFNVTR-UHFFFAOYSA-N 1 0 209.274 1.608 10 0 BDAERO CC[NH+](CC)CCN1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000095019633 360331239 /nfs/dbraw/zinc/33/12/39/360331239.db2.gz UALIUHLMFJIUPR-VXGBXAGGSA-N 1 0 242.363 1.069 10 0 BDAERO C/C(=C\c1c(Br)cnn1C)[C@@H](C)[NH3+] ZINC000306514347 360338066 /nfs/dbraw/zinc/33/80/66/360338066.db2.gz UHKYFCKEDSZGCN-PTYLAXBQSA-N 1 0 244.136 1.933 10 0 BDAERO CC[N@H+]1C[C@H](NCc2ccccn2)[C@@H](C)C1 ZINC000309449301 491148522 /nfs/dbraw/zinc/14/85/22/491148522.db2.gz KSEPKYFSCLYBFH-AAEUAGOBSA-N 1 0 219.332 1.511 10 0 BDAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12C[NH+]=C(N)O2 ZINC000306508118 360316954 /nfs/dbraw/zinc/31/69/54/360316954.db2.gz ACRDZAKJTRIDQT-RISCZKNCSA-N 1 0 245.326 1.365 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)N1[C@@H]1CCSC1 ZINC000306538620 360400977 /nfs/dbraw/zinc/40/09/77/360400977.db2.gz PFEAKTDRIFNOBD-KXUCPTDWSA-N 1 0 200.351 1.174 10 0 BDAERO C[NH+](C)[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000306536608 360396269 /nfs/dbraw/zinc/39/62/69/360396269.db2.gz QOGFKDZFHRUEMT-ZJUUUORDSA-N 1 0 201.335 1.603 10 0 BDAERO O=[S@@](CC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000306540012 360405544 /nfs/dbraw/zinc/40/55/44/360405544.db2.gz VPZLOKMFKCGOTE-MFKMUULPSA-N 1 0 201.335 1.287 10 0 BDAERO C[C@@H]1OCC[C@H]1[N@@H+]1CCS[C@H](C)C1 ZINC000306543638 360412717 /nfs/dbraw/zinc/41/27/17/360412717.db2.gz SQCUGDNGUCDVBH-KXUCPTDWSA-N 1 0 201.335 1.601 10 0 BDAERO C[C@H]1SCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000306557622 360431325 /nfs/dbraw/zinc/43/13/25/360431325.db2.gz OEMFSKMJULVLSA-GWOFURMSSA-N 1 0 215.362 1.774 10 0 BDAERO CC(C)(CC[NH3+])C(=O)NOCc1ccccc1 ZINC000306559868 360434716 /nfs/dbraw/zinc/43/47/16/360434716.db2.gz LVKCUTQEAXJRHH-UHFFFAOYSA-N 1 0 236.315 1.609 10 0 BDAERO C[C@@H]([NH3+])c1cncn1[C@H]1CS[C@@H](C)C1 ZINC000306581978 360480180 /nfs/dbraw/zinc/48/01/80/360480180.db2.gz OZNBLSHIZIUCKM-DJLDLDEBSA-N 1 0 211.334 1.969 10 0 BDAERO [NH2+]=C1NC[C@H](c2cnn(Cc3ccccc3)c2)O1 ZINC000306585819 360486379 /nfs/dbraw/zinc/48/63/79/360486379.db2.gz ICZAVNMZCZCNQG-GFCCVEGCSA-N 1 0 242.282 1.317 10 0 BDAERO C[C@@H]([NH3+])CNc1cncc(Br)c1 ZINC000300752304 360454921 /nfs/dbraw/zinc/45/49/21/360454921.db2.gz KTUVVODZPJVNBH-ZCFIWIBFSA-N 1 0 230.109 1.603 10 0 BDAERO CC1(C)CSCC[N@@H+]1[C@@H]1C[C@@H]1CO ZINC000306574553 360463213 /nfs/dbraw/zinc/46/32/13/360463213.db2.gz RHKDPBWUJVVBDZ-RKDXNWHRSA-N 1 0 201.335 1.195 10 0 BDAERO C[C@@H]1CCCN(C2CSC2)[C@@H]1C[NH3+] ZINC000306577595 360466109 /nfs/dbraw/zinc/46/61/09/360466109.db2.gz LKWGWQOOUGDPCS-PSASIEDQSA-N 1 0 200.351 1.161 10 0 BDAERO O[C@@H]1C[NH2+]C[C@H]1Oc1cccc(Cl)c1 ZINC000039418361 360614506 /nfs/dbraw/zinc/61/45/06/360614506.db2.gz MOMIXGTYNLLVBV-NXEZZACHSA-N 1 0 213.664 1.052 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1cc(Cl)ccn1 ZINC000238330100 360875857 /nfs/dbraw/zinc/87/58/57/360875857.db2.gz APDZVDMWTWXOSV-SSDOTTSWSA-N 1 0 214.652 1.298 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CC12CC2 ZINC000424227677 200894278 /nfs/dbraw/zinc/89/42/78/200894278.db2.gz ZKAHUJIRZSRFSE-ZJUUUORDSA-N 1 0 208.305 1.187 10 0 BDAERO Cc1nccc(OC(F)(F)F)c1C[NH3+] ZINC000238491621 361128072 /nfs/dbraw/zinc/12/80/72/361128072.db2.gz RZLBCUNKXWFKAC-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO C[NH2+]Cc1cn([C@H]2CCS[C@@H]2C)cn1 ZINC000306618452 361194735 /nfs/dbraw/zinc/19/47/35/361194735.db2.gz SLPOXVNWKCRVRA-SCZZXKLOSA-N 1 0 211.334 1.669 10 0 BDAERO [NH3+]C1(C(=O)N2C[C@H]3CCCC[C@@H]3C2)CCCC1 ZINC000237905817 181326084 /nfs/dbraw/zinc/32/60/84/181326084.db2.gz VMDSTQVCPYHSEF-VXGBXAGGSA-N 1 0 236.359 1.907 10 0 BDAERO Cc1nc(C2(N)CC[NH2+]CC2)sc1C ZINC000041060022 361240684 /nfs/dbraw/zinc/24/06/84/361240684.db2.gz AIFHTAWZIJWSMI-UHFFFAOYSA-N 1 0 211.334 1.297 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)CCCCO)c1ncnn1C ZINC000309750996 491155568 /nfs/dbraw/zinc/15/55/68/491155568.db2.gz KNSPLGVAABUBLR-VHSXEESVSA-N 1 0 226.324 1.017 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N1CCSCC[C@H]1C ZINC000306626694 361290125 /nfs/dbraw/zinc/29/01/25/361290125.db2.gz IAOLCHPPFHEXKT-RKDXNWHRSA-N 1 0 216.350 1.078 10 0 BDAERO [NH3+]C1(C(=O)N[C@@H]2COc3ccccc32)CCCC1 ZINC000070530557 181327624 /nfs/dbraw/zinc/32/76/24/181327624.db2.gz FDRSISFFDUUWEQ-LLVKDONJSA-N 1 0 246.310 1.508 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000249201153 361320040 /nfs/dbraw/zinc/32/00/40/361320040.db2.gz TUZGGQPTQDOUMF-WDEREUQCSA-N 1 0 229.320 1.154 10 0 BDAERO CCOC(=O)C[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379730415 361369495 /nfs/dbraw/zinc/36/94/95/361369495.db2.gz MVLFMANOPGMIEM-SNVBAGLBSA-N 1 0 229.320 1.079 10 0 BDAERO [NH3+]C1(CN2CCn3ccnc3C2)CCCCC1 ZINC000062321490 181331030 /nfs/dbraw/zinc/33/10/30/181331030.db2.gz CWMZPPDSCJZCTE-UHFFFAOYSA-N 1 0 234.347 1.360 10 0 BDAERO Cn1cc(NC(=[NH2+])NCc2ccccc2)cn1 ZINC000306632256 361364221 /nfs/dbraw/zinc/36/42/21/361364221.db2.gz BFKGEMRVDUVCQC-UHFFFAOYSA-N 1 0 229.287 1.557 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@](C)(CO)C(C)C ZINC000352894969 366776988 /nfs/dbraw/zinc/77/69/88/366776988.db2.gz UTIHTDPNGYPFHB-CHWSQXEVSA-N 1 0 247.379 1.161 10 0 BDAERO C[NH2+][C@H](CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000070079168 361451942 /nfs/dbraw/zinc/45/19/42/361451942.db2.gz ZJQNBKDCIQFILN-GFCCVEGCSA-N 1 0 244.294 1.281 10 0 BDAERO [NH3+]Cc1cnc(SC2CCCC2)cn1 ZINC000070581686 361568990 /nfs/dbraw/zinc/56/89/90/361568990.db2.gz LYXWRKYXGFOMJA-UHFFFAOYSA-N 1 0 209.318 1.970 10 0 BDAERO Cc1nccn1CCC[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000448549073 201216157 /nfs/dbraw/zinc/21/61/57/201216157.db2.gz NRIPULNJIKQZBW-WCQYABFASA-N 1 0 237.347 1.427 10 0 BDAERO CCC[NH+](CCC)CNC(=O)c1cccnc1 ZINC000007262242 361573589 /nfs/dbraw/zinc/57/35/89/361573589.db2.gz NWJFRMITBIDDIM-UHFFFAOYSA-N 1 0 235.331 1.891 10 0 BDAERO [NH2+]=C1N[C@]2(CO1)CCc1cccc(Cl)c1C2 ZINC000000006263 181339500 /nfs/dbraw/zinc/33/95/00/181339500.db2.gz OAXNLMLMEYQSSS-GFCCVEGCSA-N 1 0 236.702 1.912 10 0 BDAERO C[NH2+][C@](C)(CO)c1ccc(F)cc1Cl ZINC000070602751 361588670 /nfs/dbraw/zinc/58/86/70/361588670.db2.gz FOEVRECKGCFERB-SNVBAGLBSA-N 1 0 217.671 1.906 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)[C@@H]1CCOC1 ZINC000153734890 201246839 /nfs/dbraw/zinc/24/68/39/201246839.db2.gz MMCAITABVPAAHF-UMSGYPCISA-N 1 0 227.348 1.552 10 0 BDAERO CCc1noc(CN[C@H](C)[C@H]2CCCO2)n1 ZINC000309981366 491159376 /nfs/dbraw/zinc/15/93/76/491159376.db2.gz WHPGBXCJIPDSSU-RKDXNWHRSA-N 1 0 225.292 1.289 10 0 BDAERO CN(C[C@@]1(C)CCC[NH2+]1)[C@@H]1CCSC1 ZINC000070619597 361643992 /nfs/dbraw/zinc/64/39/92/361643992.db2.gz PMOMKTSVDLOWLX-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO Cc1nn(C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000070630461 361682764 /nfs/dbraw/zinc/68/27/64/361682764.db2.gz KKKUJKHBTNEOIC-SECBINFHSA-N 1 0 213.712 1.845 10 0 BDAERO [NH3+]C1CN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000104311214 181344544 /nfs/dbraw/zinc/34/45/44/181344544.db2.gz UCZCGGRBYDLFHR-UHFFFAOYSA-N 1 0 244.216 1.489 10 0 BDAERO C[C@@H]1CC[C@@](C[NH3+])(N2CCSCC2)C1 ZINC000070644398 361693725 /nfs/dbraw/zinc/69/37/25/361693725.db2.gz QNFJCSZIWXHTKP-GHMZBOCLSA-N 1 0 214.378 1.553 10 0 BDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O ZINC000040749654 181345140 /nfs/dbraw/zinc/34/51/40/181345140.db2.gz RWMPHZFFXIKEAZ-FGWVZKOKSA-N 1 0 246.310 1.487 10 0 BDAERO [NH3+]C1CCN(C[C@H](O)c2cccs2)CC1 ZINC000011729504 181344955 /nfs/dbraw/zinc/34/49/55/181344955.db2.gz XJZZCQMEZDRIRG-JTQLQIEISA-N 1 0 226.345 1.205 10 0 BDAERO CN1CCC[C@H]1C[NH2+]CC1CCOCC1 ZINC000155663364 201345689 /nfs/dbraw/zinc/34/56/89/201345689.db2.gz DWEHTNMCPJPMFD-LBPRGKRZSA-N 1 0 212.337 1.097 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)o1 ZINC000037164875 361712159 /nfs/dbraw/zinc/71/21/59/361712159.db2.gz QBGBRZLVNYISCA-WDEREUQCSA-N 1 0 209.289 1.981 10 0 BDAERO [NH3+]CC(=O)N(Cc1ccco1)Cc1ccco1 ZINC000032089732 181347415 /nfs/dbraw/zinc/34/74/15/181347415.db2.gz ZTFZAWVKZGPYDS-UHFFFAOYSA-N 1 0 234.255 1.360 10 0 BDAERO [NH3+]CC(=O)NCCCOc1cccc(Cl)c1 ZINC000041287495 181351398 /nfs/dbraw/zinc/35/13/98/181351398.db2.gz USHXHRYNJMELLR-UHFFFAOYSA-N 1 0 242.706 1.184 10 0 BDAERO C[C@@H]1CC(Cn2cc[nH+]c2N)C[C@@H](C)O1 ZINC000724428982 541321327 /nfs/dbraw/zinc/32/13/27/541321327.db2.gz FIRCSYCTZJWCSQ-RKDXNWHRSA-N 1 0 209.293 1.669 10 0 BDAERO CC(=O)c1ccc(NC2=[NH+]CCN2)cc1 ZINC000029133010 541313257 /nfs/dbraw/zinc/31/32/57/541313257.db2.gz ZTSMQCUYKQEXIJ-UHFFFAOYSA-N 1 0 203.245 1.260 10 0 BDAERO c1nc2c([nH]1)[C@]1(CC[C@H]3CCC[C@H]31)[NH2+]CC2 ZINC000722063317 541316491 /nfs/dbraw/zinc/31/64/91/541316491.db2.gz OQUFTOCMNOKIOC-GIPNMCIBSA-N 1 0 217.316 1.961 10 0 BDAERO CC1(C)[C@H]([NH2+]CCC2CC(O)C2)[C@H]2CCO[C@@H]21 ZINC000432431543 192944234 /nfs/dbraw/zinc/94/42/34/192944234.db2.gz WQZZBPHVJQFLCW-ABLIHOLZSA-N 1 0 239.359 1.551 10 0 BDAERO CO[C@H]1CN(C(=O)CCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630368197 364084245 /nfs/dbraw/zinc/08/42/45/364084245.db2.gz FWWSWCMVDNHOCG-DGCLKSJQSA-N 1 0 240.347 1.141 10 0 BDAERO [NH3+]CC(=O)Nc1cc(Br)cs1 ZINC000077370086 181355050 /nfs/dbraw/zinc/35/50/50/181355050.db2.gz KCTPVXBDWULXGL-UHFFFAOYSA-N 1 0 235.106 1.408 10 0 BDAERO CCCCOCCN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361156 364080763 /nfs/dbraw/zinc/08/07/63/364080763.db2.gz IMWMPAYJFUUESG-STQMWFEESA-N 1 0 244.379 1.241 10 0 BDAERO CO[C@H]1CN(Cc2cccc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630361899 364081071 /nfs/dbraw/zinc/08/10/71/364081071.db2.gz NMFGUYXGGFECGB-HUUCEWRRSA-N 1 0 248.370 1.933 10 0 BDAERO C=Cc1ccc([C@H]2CC[NH2+]C[C@H]2N)cc1 ZINC000725241573 541329849 /nfs/dbraw/zinc/32/98/49/541329849.db2.gz ZSGISOJMFBOCIA-CHWSQXEVSA-N 1 0 202.301 1.734 10 0 BDAERO CCN(c1ccc(F)c(C[NH3+])c1)S(C)(=O)=O ZINC000725256071 541332761 /nfs/dbraw/zinc/33/27/61/541332761.db2.gz SPKZHUMROVSFSS-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO CO[C@@H]1CN(C(=O)C2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630362831 364081928 /nfs/dbraw/zinc/08/19/28/364081928.db2.gz QCCDMGSFUMUHNU-AAEUAGOBSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@@H]1CO[C@H](C[NH3+])CN1Cc1ccccc1 ZINC000038673977 364051581 /nfs/dbraw/zinc/05/15/81/364051581.db2.gz SEZNKYANPTZLKD-DGCLKSJQSA-N 1 0 220.316 1.235 10 0 BDAERO CCCNC(=O)NC[C@H]([NH3+])C1CCCCC1 ZINC000725254820 541331982 /nfs/dbraw/zinc/33/19/82/541331982.db2.gz DWWFCCQFZWMNNH-NSHDSACASA-N 1 0 227.352 1.603 10 0 BDAERO CO[C@@H]1CN(Cc2nccs2)[C@](C)(C[NH3+])C1 ZINC000630368667 364086093 /nfs/dbraw/zinc/08/60/93/364086093.db2.gz SPXDOQZPTXDAHM-ONGXEEELSA-N 1 0 241.360 1.081 10 0 BDAERO C[C@@H]1CN(c2cnc3ccccc3n2)C[C@H]1C[NH3+] ZINC000630387716 364103764 /nfs/dbraw/zinc/10/37/64/364103764.db2.gz ZBXAKDFIFAWVBY-GHMZBOCLSA-N 1 0 242.326 1.661 10 0 BDAERO CNC(=O)C[C@H](C[NH3+])c1ccc(COC)cc1 ZINC000725263657 541337064 /nfs/dbraw/zinc/33/70/64/541337064.db2.gz YVZZMNFHEPSCIR-GFCCVEGCSA-N 1 0 236.315 1.011 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000725269023 541338144 /nfs/dbraw/zinc/33/81/44/541338144.db2.gz BWKBUPALPPDNPI-VXGBXAGGSA-N 1 0 241.379 1.862 10 0 BDAERO CC(C)Cn1nnc([C@@H]2CCCCO2)c1C[NH3+] ZINC000725269039 541338429 /nfs/dbraw/zinc/33/84/29/541338429.db2.gz JHXJNYCIQKKNDM-NSHDSACASA-N 1 0 238.335 1.634 10 0 BDAERO COc1ccc(C[NH3+])cc1C(=O)NC(C)C ZINC000725269810 541339166 /nfs/dbraw/zinc/33/91/66/541339166.db2.gz ZESWZQKLFCFZPX-UHFFFAOYSA-N 1 0 222.288 1.292 10 0 BDAERO CC(C)C(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272903 541340388 /nfs/dbraw/zinc/34/03/88/541340388.db2.gz VIJRTJOKUPMJLC-NSHDSACASA-N 1 0 240.347 1.012 10 0 BDAERO CCCOc1nccnc1N1CC[C@@H](C[NH3+])C1 ZINC000630508385 364196011 /nfs/dbraw/zinc/19/60/11/364196011.db2.gz LHYPKDJZFKXBEF-JTQLQIEISA-N 1 0 236.319 1.050 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nc(C)cc(C(C)C)n1 ZINC000630518834 364201961 /nfs/dbraw/zinc/20/19/61/364201961.db2.gz LLUAEHUVLLLBLC-JTQLQIEISA-N 1 0 222.336 1.928 10 0 BDAERO Cc1cc(NC(=O)C2CCC([NH3+])CC2)n(C)n1 ZINC000257739327 370745187 /nfs/dbraw/zinc/74/51/87/370745187.db2.gz XRZDKDGKCMAFHJ-UHFFFAOYSA-N 1 0 236.319 1.185 10 0 BDAERO C[C@H]1CC[C@@H](Nc2nc3ccccc3n2C)C[NH2+]1 ZINC000630533046 364223059 /nfs/dbraw/zinc/22/30/59/364223059.db2.gz NBPUYLFJHLTTFP-WDEREUQCSA-N 1 0 244.342 1.548 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1F ZINC000630529455 364216926 /nfs/dbraw/zinc/21/69/26/364216926.db2.gz VHBANOMPQKLLQY-VHSXEESVSA-N 1 0 209.268 1.773 10 0 BDAERO C[NH2+]CCOCCN(C)c1ccncc1Cl ZINC000630530283 364218715 /nfs/dbraw/zinc/21/87/15/364218715.db2.gz IVBHGMFGNNXDQQ-UHFFFAOYSA-N 1 0 243.738 1.407 10 0 BDAERO Cc1cc(C)nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630532994 364223262 /nfs/dbraw/zinc/22/32/62/364223262.db2.gz MIYNYXZVFVFURD-LDYMZIIASA-N 1 0 220.320 1.646 10 0 BDAERO CCCc1nccnc1N[C@@H]1CC[NH2+][C@H]1C ZINC000630546626 364240395 /nfs/dbraw/zinc/24/03/95/364240395.db2.gz ZFESCNGVKCJHOH-VHSXEESVSA-N 1 0 220.320 1.013 10 0 BDAERO Cc1nc(N[C@@H]2CC[NH2+][C@H]2C)sc1C ZINC000630546294 364241578 /nfs/dbraw/zinc/24/15/78/364241578.db2.gz VIAFVMRUJRBAET-IONNQARKSA-N 1 0 211.334 1.922 10 0 BDAERO Cc1cnc(C)c(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630549304 364242722 /nfs/dbraw/zinc/24/27/22/364242722.db2.gz JWGDSSXJSMAGJD-LBPRGKRZSA-N 1 0 234.347 1.801 10 0 BDAERO [NH3+][C@H]1CCCCCN(c2ccc(F)cn2)C1 ZINC000630550134 364243662 /nfs/dbraw/zinc/24/36/62/364243662.db2.gz QEYGNFANCIBHPN-NSHDSACASA-N 1 0 223.295 1.928 10 0 BDAERO CCCc1nsc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000630553441 364247422 /nfs/dbraw/zinc/24/74/22/364247422.db2.gz JREPRSYEGOWCIY-DTWKUNHWSA-N 1 0 240.376 1.522 10 0 BDAERO C[C@@H]1CN(c2ncncc2Cl)C[C@H]1C[NH3+] ZINC000630552890 364248358 /nfs/dbraw/zinc/24/83/58/364248358.db2.gz HXNBSWQLTAARND-HTQZYQBOSA-N 1 0 226.711 1.161 10 0 BDAERO CCc1nc(C)cc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000630558330 364261060 /nfs/dbraw/zinc/26/10/60/364261060.db2.gz ZQDALGJLUMWMKY-HAQNSBGRSA-N 1 0 248.374 1.699 10 0 BDAERO C[C@@H]1CN(c2ncc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000630567276 364264534 /nfs/dbraw/zinc/26/45/34/364264534.db2.gz GIMLWZQEIJADLL-SFYZADRCSA-N 1 0 243.713 1.905 10 0 BDAERO Cc1cc(C)nc(N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000630566767 364265278 /nfs/dbraw/zinc/26/52/78/364265278.db2.gz GEXFCTCWBHFCQC-LDYMZIIASA-N 1 0 220.320 1.124 10 0 BDAERO C[C@@H]1CN(c2ccc(F)cn2)C[C@@H]1C[NH3+] ZINC000630572693 364267169 /nfs/dbraw/zinc/26/71/69/364267169.db2.gz RNVJXPVKZMKXHG-BDAKNGLRSA-N 1 0 209.268 1.252 10 0 BDAERO Cc1nccc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630534304 364226628 /nfs/dbraw/zinc/22/66/28/364226628.db2.gz VRUGGZHGXJAOEG-WPRPVWTQSA-N 1 0 206.293 1.337 10 0 BDAERO C[C@@H]1CC[C@H](Nc2cn[nH]c(=O)c2Cl)C[NH2+]1 ZINC000630534561 364228756 /nfs/dbraw/zinc/22/87/56/364228756.db2.gz NBXCSCCNBVHFDG-RQJHMYQMSA-N 1 0 242.710 1.388 10 0 BDAERO C[C@@H]1CC[C@H](Nc2ccc(F)cn2)C[NH2+]1 ZINC000630535394 364231224 /nfs/dbraw/zinc/23/12/24/364231224.db2.gz UZIIPATWFNOLQY-SCZZXKLOSA-N 1 0 209.268 1.773 10 0 BDAERO [NH3+]C1CCC(C(=O)NCc2cccnc2)CC1 ZINC000037623391 364338581 /nfs/dbraw/zinc/33/85/81/364338581.db2.gz PNOWFBFQZNUCBT-UHFFFAOYSA-N 1 0 233.315 1.215 10 0 BDAERO CC(C)([NH3+])c1cn(CCOC2CCC2)nn1 ZINC000630601870 364317558 /nfs/dbraw/zinc/31/75/58/364317558.db2.gz RTSYONLICLONJS-UHFFFAOYSA-N 1 0 224.308 1.041 10 0 BDAERO CC(C)OCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000134106348 364389454 /nfs/dbraw/zinc/38/94/54/364389454.db2.gz BSOQPKAEVIBOOU-SRVKXCTJSA-N 1 0 227.348 1.815 10 0 BDAERO Cc1cnc(C[NH2+][C@H]2CCO[C@H]2C)cn1 ZINC000134391468 364401044 /nfs/dbraw/zinc/40/10/44/364401044.db2.gz UWOGOCHILMUQCD-ONGXEEELSA-N 1 0 207.277 1.052 10 0 BDAERO [NH3+]CC1(c2nc3cc(F)ccc3o2)CC1 ZINC000082931815 181363929 /nfs/dbraw/zinc/36/39/29/181363929.db2.gz BHGLYNOYNCVEAM-UHFFFAOYSA-N 1 0 206.220 1.957 10 0 BDAERO [NH3+]CCC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000037819528 181366543 /nfs/dbraw/zinc/36/65/43/181366543.db2.gz FKDKYNWIHDHGKM-JTQLQIEISA-N 1 0 207.277 1.027 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)n1 ZINC000170864868 364544469 /nfs/dbraw/zinc/54/44/69/364544469.db2.gz AJJVDGNEGJKEJE-GFCCVEGCSA-N 1 0 247.342 1.475 10 0 BDAERO Cc1ccc(CC(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000170865209 364546291 /nfs/dbraw/zinc/54/62/91/364546291.db2.gz XHEPPQRJEZQJLA-ZDUSSCGKSA-N 1 0 247.342 1.095 10 0 BDAERO [NH3+]CCC(=O)N[C@H]1CCCc2occc21 ZINC000040831783 181368993 /nfs/dbraw/zinc/36/89/93/181368993.db2.gz HQKCSZKAIPJHFZ-VIFPVBQESA-N 1 0 208.261 1.122 10 0 BDAERO [NH3+]CCC(=O)N[C@@H]1CCCc2occc21 ZINC000040831782 181369257 /nfs/dbraw/zinc/36/92/57/181369257.db2.gz HQKCSZKAIPJHFZ-SECBINFHSA-N 1 0 208.261 1.122 10 0 BDAERO [NH3+]CCC(=O)Nc1ccccc1-n1ccnc1 ZINC000037006883 181368778 /nfs/dbraw/zinc/36/87/78/181368778.db2.gz IRYXJMRNKHZTNH-UHFFFAOYSA-N 1 0 230.271 1.160 10 0 BDAERO [NH3+]CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000036160547 181370651 /nfs/dbraw/zinc/37/06/51/181370651.db2.gz WWWOBGYXLMXZNT-UHFFFAOYSA-N 1 0 221.256 1.379 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)nc1C ZINC000087152317 364766726 /nfs/dbraw/zinc/76/67/26/364766726.db2.gz AOJWHLCPQSDMIA-SECBINFHSA-N 1 0 207.277 1.245 10 0 BDAERO COc1cc(C[NH2+][C@@H]2CCO[C@H]2C)sn1 ZINC000399078435 364782727 /nfs/dbraw/zinc/78/27/27/364782727.db2.gz REXWKOFCIKHAOK-IONNQARKSA-N 1 0 228.317 1.419 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])CNC(=O)NC1CCCC1 ZINC000324737526 541381646 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[NH3+]CCCc1nnc(Cc2cccc(O)c2)o1 ZINC000050283690 181388214 /nfs/dbraw/zinc/38/82/14/181388214.db2.gz GDQUKXYOZYYBEW-UHFFFAOYSA-N 1 0 233.271 1.257 10 0 BDAERO [NH3+]CCCc1noc(-c2ccc(F)cc2)n1 ZINC000019682255 181388713 /nfs/dbraw/zinc/38/87/13/181388713.db2.gz ODCYQLHOPHNTSL-UHFFFAOYSA-N 1 0 221.235 1.767 10 0 BDAERO [NH3+]CCCn1cnc(-c2ccccc2)c1 ZINC000034100513 181389478 /nfs/dbraw/zinc/38/94/78/181389478.db2.gz NWGVMGGOICDPBP-UHFFFAOYSA-N 1 0 201.273 1.899 10 0 BDAERO [NH3+]CCN(c1ccc(F)cn1)C1CCCC1 ZINC000053706281 181390056 /nfs/dbraw/zinc/39/00/56/181390056.db2.gz AIVHRHUIBVVUCZ-UHFFFAOYSA-N 1 0 223.295 1.928 10 0 BDAERO [NH3+]CCN(Cc1ccco1)Cc1ccco1 ZINC000032013607 181390842 /nfs/dbraw/zinc/39/08/42/181390842.db2.gz ZVOZUNXPQQWWNM-UHFFFAOYSA-N 1 0 220.272 1.834 10 0 BDAERO [NH3+]CCNCc1ccc(F)c(F)c1F ZINC000074339406 181396553 /nfs/dbraw/zinc/39/65/53/181396553.db2.gz TXKJWQHCOUCNRF-UHFFFAOYSA-N 1 0 204.195 1.152 10 0 BDAERO [NH3+]CCNC[C@H](O)c1ccc2ccccc2c1 ZINC000050523587 181397014 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212.337 1.633 10 0 BDAERO [NH3+]CCc1nnc(-c2cccnc2)s1 ZINC000057493944 181414377 /nfs/dbraw/zinc/41/43/77/181414377.db2.gz CFVXMSGLSDCIIO-UHFFFAOYSA-N 1 0 206.274 1.101 10 0 BDAERO [NH3+]C[C@@H](CCc1ccccc1)N1CCOCC1 ZINC000032026949 181417988 /nfs/dbraw/zinc/41/79/88/181417988.db2.gz DEWVQZSEFZXHIJ-CQSZACIVSA-N 1 0 234.343 1.279 10 0 BDAERO COC[C@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000171522811 365209821 /nfs/dbraw/zinc/20/98/21/365209821.db2.gz CTSGSAYPWRGOEV-LBPRGKRZSA-N 1 0 242.363 1.261 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC000019669677 181426954 /nfs/dbraw/zinc/42/69/54/181426954.db2.gz QGNPFXXHTXAAGL-ZETCQYMHSA-N 1 0 226.226 1.276 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)Nc2cc(Cl)ccc21 ZINC000057939127 181427124 /nfs/dbraw/zinc/42/71/24/181427124.db2.gz SEIXKOPRUBVVBP-LURJTMIESA-N 1 0 210.664 1.725 10 0 BDAERO CCN(C[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095091242 169897139 /nfs/dbraw/zinc/89/71/39/169897139.db2.gz CRWQVORSYCVUOP-QMMMGPOBSA-N 1 0 210.243 1.828 10 0 BDAERO 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CC(C)C(C)(C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000381502900 367420406 /nfs/dbraw/zinc/42/04/06/367420406.db2.gz DGPLHPYDMXPNGK-ZJUUUORDSA-N 1 0 212.337 1.665 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CO)C12CCC2 ZINC000382001261 367476398 /nfs/dbraw/zinc/47/63/98/367476398.db2.gz JRXSQBXKDLMMKT-USZNOCQGSA-N 1 0 225.332 1.305 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2CO)C12CCC2 ZINC000382001260 367477218 /nfs/dbraw/zinc/47/72/18/367477218.db2.gz JRXSQBXKDLMMKT-QCNOEVLYSA-N 1 0 225.332 1.305 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C(F)(F)F)nn1 ZINC000381606986 367437335 /nfs/dbraw/zinc/43/73/35/367437335.db2.gz OHSIFCAOTLVYSH-PHDIDXHHSA-N 1 0 234.225 1.065 10 0 BDAERO Cc1cnc(N[C@@H]2CC[C@H](C[NH3+])C2)nc1C ZINC000382450135 367526458 /nfs/dbraw/zinc/52/64/58/367526458.db2.gz MJTMZNMBTIHWLI-WDEREUQCSA-N 1 0 220.320 1.633 10 0 BDAERO Cc1cnc(N[C@@H]2CC[C@@H](C[NH3+])C2)nc1C ZINC000382450112 367526748 /nfs/dbraw/zinc/52/67/48/367526748.db2.gz MJTMZNMBTIHWLI-GHMZBOCLSA-N 1 0 220.320 1.633 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](Nc2ccnc3cccnc32)C1 ZINC000382461742 367528665 /nfs/dbraw/zinc/52/86/65/367528665.db2.gz WPYFQKAGTNJMHC-WDEREUQCSA-N 1 0 242.326 1.591 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000382327494 367508265 /nfs/dbraw/zinc/50/82/65/367508265.db2.gz YIDJGZVTACMZCQ-KDXUFGMBSA-N 1 0 239.237 1.067 10 0 BDAERO [NH3+]CC[C@H](NC(=O)N1CCCCCC1)C(F)F ZINC000383323773 367613554 /nfs/dbraw/zinc/61/35/54/367613554.db2.gz SNYBWJOGKJVWMJ-VIFPVBQESA-N 1 0 249.305 1.555 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NCC2([NH3+])CCCCC2)O1 ZINC000383516851 367631902 /nfs/dbraw/zinc/63/19/02/367631902.db2.gz HPGBPAWHJFQXCU-GHMZBOCLSA-N 1 0 240.347 1.332 10 0 BDAERO CSC[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384555484 367700172 /nfs/dbraw/zinc/70/01/72/367700172.db2.gz OCAWSIQPLKPSDO-LPEHRKFASA-N 1 0 230.377 1.242 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)[C@H](C)O1 ZINC000581677559 367706220 /nfs/dbraw/zinc/70/62/20/367706220.db2.gz 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/nfs/dbraw/zinc/96/72/66/182967266.db2.gz VTSJQGDZZZBXKR-XYZCENFISA-N 1 0 249.339 1.280 10 0 BDAERO O=[S@](Cc1ccncc1)C[C@@H]1CCC[NH2+]1 ZINC000095073576 182967835 /nfs/dbraw/zinc/96/78/35/182967835.db2.gz DXVNHLGEDGPZEB-NHYWBVRUSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](c1nc2ccccc2o1)[C@H]1CC[NH2+]C1 ZINC000095073021 182968097 /nfs/dbraw/zinc/96/80/97/182968097.db2.gz FJMPFDCZZVHSMU-ZKANADHPSA-N 1 0 236.296 1.297 10 0 BDAERO O=c1ccc(Cl)c2n1C[C@H]1C[NH2+]C[C@@H]2C1 ZINC000026173873 182999672 /nfs/dbraw/zinc/99/96/72/182999672.db2.gz FRJRAPCSCQSPBH-SFYZADRCSA-N 1 0 224.691 1.208 10 0 BDAERO O=c1cnc2cc3c(cc2[nH]1)[C@@H]1C[C@H]3C[NH2+]C1 ZINC000022061299 183007081 /nfs/dbraw/zinc/00/70/81/183007081.db2.gz GKJIHIDMYKLTHW-JGVFFNPUSA-N 1 0 227.267 1.097 10 0 in-vitro BDAERO OC1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000085576456 183028580 /nfs/dbraw/zinc/02/85/80/183028580.db2.gz IFMQMIHUOXJXTH-LBPRGKRZSA-N 1 0 217.312 1.783 10 0 BDAERO OC1(C2CC2)C[NH+](CCCCCF)C1 ZINC000308481696 183015295 /nfs/dbraw/zinc/01/52/95/183015295.db2.gz NASPQUGAUBNTIB-UHFFFAOYSA-N 1 0 201.285 1.583 10 0 BDAERO OC1(CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000333145395 183015312 /nfs/dbraw/zinc/01/53/12/183015312.db2.gz ZPNJPHPHQOKSIV-LBPRGKRZSA-N 1 0 235.331 1.852 10 0 BDAERO OC1(C[NH2+]C[C@@H]2CCCO2)CCCCCC1 ZINC000037855939 183020124 /nfs/dbraw/zinc/02/01/24/183020124.db2.gz KEDDPMIYAKHINW-LBPRGKRZSA-N 1 0 227.348 1.840 10 0 BDAERO OCC1CC[NH+](C[C@H]2CCCCC[C@H]2O)CC1 ZINC000053881421 183041254 /nfs/dbraw/zinc/04/12/54/183041254.db2.gz DCRIRNWHHFYSIN-ZIAGYGMSSA-N 1 0 241.375 1.632 10 0 BDAERO OCCCCc1ccc2c([nH+]1)NCCC2 ZINC000090729947 183043625 /nfs/dbraw/zinc/04/36/25/183043625.db2.gz MTLNUCHJTJRGOZ-UHFFFAOYSA-N 1 0 206.289 1.755 10 0 BDAERO OCCCCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000049828719 183047660 /nfs/dbraw/zinc/04/76/60/183047660.db2.gz MQLDBPNXZYZHNW-UHFFFAOYSA-N 1 0 237.299 1.668 10 0 BDAERO OCC1([NH2+]Cc2cnccn2)CCCCC1 ZINC000054766793 183038219 /nfs/dbraw/zinc/03/82/19/183038219.db2.gz XRGCGTCOLUOCGP-UHFFFAOYSA-N 1 0 221.304 1.261 10 0 BDAERO OCCC[NH2+]C[C@H]1CCc2ccccc2O1 ZINC000013775943 183059096 /nfs/dbraw/zinc/05/90/96/183059096.db2.gz FUWHJYUJXZYSCO-GFCCVEGCSA-N 1 0 221.300 1.352 10 0 BDAERO OCCOCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336660101 183085980 /nfs/dbraw/zinc/08/59/80/183085980.db2.gz BSWXFDCXWVITGS-WDEREUQCSA-N 1 0 219.300 1.113 10 0 BDAERO CCCC[C@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1=O ZINC000050888004 168992523 /nfs/dbraw/zinc/99/25/23/168992523.db2.gz NVCADMSCSYCROK-QWRGUYRKSA-N 1 0 240.347 1.691 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCCCCF)C1 ZINC000308473943 183095263 /nfs/dbraw/zinc/09/52/63/183095263.db2.gz KHDRQLNASKHZTB-NSHDSACASA-N 1 0 203.301 1.831 10 0 BDAERO CCCC[C@H](C[NH3+])N(CCOC)[C@@H](C)COC ZINC000042603088 169002657 /nfs/dbraw/zinc/00/26/57/169002657.db2.gz SRAWGSIDOBFRIL-QWHCGFSZSA-N 1 0 246.395 1.487 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1Nc1ncnc2[nH]ccc21 ZINC000266235694 183118827 /nfs/dbraw/zinc/11/88/27/183118827.db2.gz VMKYRTSOHPNEDS-ONGXEEELSA-N 1 0 246.314 1.921 10 0 BDAERO OC[C@@]1([NH2+]C2CCCCC2)CCSC1 ZINC000038111099 183133571 /nfs/dbraw/zinc/13/35/71/183133571.db2.gz IANYEIAQRFGRGG-NSHDSACASA-N 1 0 215.362 1.777 10 0 BDAERO OC[C@@]1([NH2+]Cc2ccccc2)CCSC1 ZINC000038110752 183133673 /nfs/dbraw/zinc/13/36/73/183133673.db2.gz ATBDFRLJGIHJKB-LBPRGKRZSA-N 1 0 223.341 1.644 10 0 BDAERO OC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]1O ZINC000063219878 183138880 /nfs/dbraw/zinc/13/88/80/183138880.db2.gz ZRCYWOMEHDKWMY-IHRRRGAJSA-N 1 0 235.327 1.093 10 0 BDAERO OC[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000063000775 183141297 /nfs/dbraw/zinc/14/12/97/183141297.db2.gz JFCWKJAMTPVBBV-OLZOCXBDSA-N 1 0 220.316 1.062 10 0 BDAERO CCCN(C(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000037096251 169044808 /nfs/dbraw/zinc/04/48/08/169044808.db2.gz ACSRQUSRYUFBCI-NSHDSACASA-N 1 0 212.337 1.633 10 0 BDAERO OC[C@H]1CCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000085576489 183151200 /nfs/dbraw/zinc/15/12/00/183151200.db2.gz RGADUQARIRPOHW-CHWSQXEVSA-N 1 0 217.312 1.783 10 0 BDAERO OC[C@H]1[NH2+]CCc2c(F)ccc(Cl)c21 ZINC000075748247 183156878 /nfs/dbraw/zinc/15/68/78/183156878.db2.gz KLNZNMMSGDQXDK-SECBINFHSA-N 1 0 215.655 1.658 10 0 BDAERO O[C@@H](C[NH2+]CCc1ccccc1)c1cccnc1 ZINC000032100365 183179717 /nfs/dbraw/zinc/17/97/17/183179717.db2.gz WZANIDHSMILRAZ-HNNXBMFYSA-N 1 0 242.322 1.947 10 0 BDAERO CCCN(C(N)=O)c1ccc(C[NH3+])cc1 ZINC000034654352 169049588 /nfs/dbraw/zinc/04/95/88/169049588.db2.gz HMEBCOZGMSNRSZ-UHFFFAOYSA-N 1 0 207.277 1.440 10 0 BDAERO O[C@@H](c1cc(F)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000036161923 183184068 /nfs/dbraw/zinc/18/40/68/183184068.db2.gz GRGDWUGAXBDPSE-PRHODGIISA-N 1 0 227.254 1.998 10 0 BDAERO O[C@@H](c1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000036906325 183184773 /nfs/dbraw/zinc/18/47/73/183184773.db2.gz HTBLWKRTXHLAEJ-PRHODGIISA-N 1 0 227.254 1.998 10 0 BDAERO O[C@@H](C[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000019784903 183176359 /nfs/dbraw/zinc/17/63/59/183176359.db2.gz IBXXADUHACTRDU-LBPRGKRZSA-N 1 0 249.310 1.587 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]CCc1cccnc1 ZINC000037718331 183196939 /nfs/dbraw/zinc/19/69/39/183196939.db2.gz HRASUTFJLDODDI-VXGBXAGGSA-N 1 0 206.289 1.127 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@@H]1Cc1ccc(Cl)s1 ZINC000076678764 183200094 /nfs/dbraw/zinc/20/00/94/183200094.db2.gz UJLQIYRBNHKESH-IONNQARKSA-N 1 0 231.748 1.914 10 0 BDAERO O[C@@H]1CC[NH2+][C@H]1c1ccc(Cl)c(F)c1 ZINC000082370120 183201576 /nfs/dbraw/zinc/20/15/76/183201576.db2.gz ZVSYBVLVSBHNEG-ZJUUUORDSA-N 1 0 215.655 1.874 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCO2)[C@H]1CCCC[NH2+]1 ZINC000041265377 183185920 /nfs/dbraw/zinc/18/59/20/183185920.db2.gz DZSWSORCZGYERZ-MFKMUULPSA-N 1 0 235.283 1.591 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000037490750 183189588 /nfs/dbraw/zinc/18/95/88/183189588.db2.gz SJSVKMPIYVXGHR-QWHCGFSZSA-N 1 0 220.316 1.517 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000124785807 183195763 /nfs/dbraw/zinc/19/57/63/183195763.db2.gz KJIOXBPMGTWXQP-VXGBXAGGSA-N 1 0 211.305 1.084 10 0 BDAERO O[C@@]1(c2ccc3c(c2)OCCCO3)CC[NH2+]C1 ZINC000104109517 183218172 /nfs/dbraw/zinc/21/81/72/183218172.db2.gz QUAXRXSUIXXWQD-ZDUSSCGKSA-N 1 0 235.283 1.029 10 0 BDAERO O[C@H](C[NH2+][C@@H]1CCN2CCC[C@H]12)c1ccco1 ZINC000103355274 183225299 /nfs/dbraw/zinc/22/52/99/183225299.db2.gz LOOAEPLFIYJNTH-IJLUTSLNSA-N 1 0 236.315 1.139 10 0 BDAERO O[C@H](COc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000026264332 183226082 /nfs/dbraw/zinc/22/60/82/183226082.db2.gz XYXMJNFELPKDTE-CHWSQXEVSA-N 1 0 221.300 1.568 10 0 BDAERO O[C@H](c1cc(F)ccc1F)[C@H]1CCC[NH2+]1 ZINC000036158986 183228568 /nfs/dbraw/zinc/22/85/68/183228568.db2.gz HYIYCBIMDGPNAK-GHMZBOCLSA-N 1 0 213.227 1.750 10 0 BDAERO O[C@H](c1ccccc1)[C@@H]1CSCC[NH2+]1 ZINC000082374850 183229224 /nfs/dbraw/zinc/22/92/24/183229224.db2.gz SHWXUJIXFGXOOY-WDEREUQCSA-N 1 0 209.314 1.425 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000042541189 183231291 /nfs/dbraw/zinc/23/12/91/183231291.db2.gz JKIYNILVZABBPJ-NEPJUHHUSA-N 1 0 223.320 1.166 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000037881295 183231846 /nfs/dbraw/zinc/23/18/46/183231846.db2.gz XYAREXNEBNQABY-OLZOCXBDSA-N 1 0 220.316 1.865 10 0 BDAERO CCCN(CC(=O)NC)c1cc(C)ccc1C[NH3+] ZINC000051579512 169096265 /nfs/dbraw/zinc/09/62/65/169096265.db2.gz VSMQGLKEYKDUCX-UHFFFAOYSA-N 1 0 249.358 1.416 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH+]1CCN(C2CC2)CC1 ZINC000042490907 183231900 /nfs/dbraw/zinc/23/19/00/183231900.db2.gz SMZLSVBKNXAAIN-STQMWFEESA-N 1 0 224.348 1.070 10 0 BDAERO O[C@H]1CC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000306931440 183239037 /nfs/dbraw/zinc/23/90/37/183239037.db2.gz BVNXALVHEFCIGI-BDAKNGLRSA-N 1 0 205.248 1.488 10 0 BDAERO CCCN(CC)C(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000037095319 169116161 /nfs/dbraw/zinc/11/61/61/169116161.db2.gz KZIIEPIHOVYSLU-WDEREUQCSA-N 1 0 212.337 1.776 10 0 BDAERO CCCN(CC)C(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC000051792549 169117190 /nfs/dbraw/zinc/11/71/90/169117190.db2.gz XZENLZOZHOAHHF-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO O[C@H]1C[NH2+]C[C@H]1N1CCC2(CCCCC2)CC1 ZINC000104252395 183245866 /nfs/dbraw/zinc/24/58/66/183245866.db2.gz SLUGHIBCDOEJAZ-OLZOCXBDSA-N 1 0 238.375 1.365 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cocn1 ZINC000192317558 183232409 /nfs/dbraw/zinc/23/24/09/183232409.db2.gz MOSSUEZUJBSRHV-ONGXEEELSA-N 1 0 210.277 1.315 10 0 BDAERO O[C@H]1CCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000037718330 183237248 /nfs/dbraw/zinc/23/72/48/183237248.db2.gz HRASUTFJLDODDI-RYUDHWBXSA-N 1 0 206.289 1.127 10 0 BDAERO Oc1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000083348999 183270798 /nfs/dbraw/zinc/27/07/98/183270798.db2.gz VAVAJOPEOJONNE-UHFFFAOYSA-N 1 0 217.272 1.448 10 0 BDAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C[C@H]1CCCOC1 ZINC000038044171 183281806 /nfs/dbraw/zinc/28/18/06/183281806.db2.gz GFTRCJUWRJJOFB-ZWNOBZJWSA-N 1 0 249.310 1.842 10 0 BDAERO Oc1cccc2c1C[C@@H]1[NH2+]CCC[C@@H]1C2 ZINC000027559809 183296974 /nfs/dbraw/zinc/29/69/74/183296974.db2.gz ZEGPLOZRDHDXHP-PWSUYJOCSA-N 1 0 203.285 1.859 10 0 BDAERO CCCN(CCO)[C@H](C[NH3+])c1ccccc1C ZINC000043036230 169167914 /nfs/dbraw/zinc/16/79/14/169167914.db2.gz KGVKAEHGGFFOJU-CQSZACIVSA-N 1 0 236.359 1.699 10 0 BDAERO CCC[N@H+](CC[C@@H](NC)C(=O)OC)CC1CC1 ZINC000062460200 169169848 /nfs/dbraw/zinc/16/98/48/169169848.db2.gz YDKLLUUKFPXTKX-GFCCVEGCSA-N 1 0 242.363 1.260 10 0 BDAERO CCCN([C@@H](C)C(=O)OCC)[C@H]1CCC[NH2+]C1 ZINC000104337489 169180329 /nfs/dbraw/zinc/18/03/29/169180329.db2.gz IKCNKIURDQRAIF-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CCCN1C(=O)C[C@H]([NH2+][C@@H](CC)C(C)C)C1=O ZINC000042587170 169184292 /nfs/dbraw/zinc/18/42/92/169184292.db2.gz BRPCQAKMSFYKLB-QWRGUYRKSA-N 1 0 240.347 1.548 10 0 BDAERO c1c([C@H]2CCC[NH2+]C2)nc2n1CCCC2 ZINC000082931199 183321896 /nfs/dbraw/zinc/32/18/96/183321896.db2.gz MRSYNYIZNUVNLY-JTQLQIEISA-N 1 0 205.305 1.686 10 0 BDAERO CCC[NH+]1CCC(c2nncn2CC)CC1 ZINC000105930098 169191201 /nfs/dbraw/zinc/19/12/01/169191201.db2.gz KACVNDJDQRVKOT-UHFFFAOYSA-N 1 0 222.336 1.887 10 0 BDAERO c1cnc2[nH]c(N[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095068063 183328923 /nfs/dbraw/zinc/32/89/23/183328923.db2.gz GEXZPGRLRUREHF-MRVPVSSYSA-N 1 0 217.276 1.073 10 0 BDAERO CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884007 169198515 /nfs/dbraw/zinc/19/85/15/169198515.db2.gz JNNUQLRAYSMPSA-NSHDSACASA-N 1 0 208.309 1.400 10 0 BDAERO S=C1Nc2ccccc2CN1[C@@H]1CC[NH2+]C1 ZINC000095078928 183313230 /nfs/dbraw/zinc/31/32/30/183313230.db2.gz KPJBTMBDMDVDBP-SNVBAGLBSA-N 1 0 233.340 1.561 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1ccco1 ZINC000076584932 169232491 /nfs/dbraw/zinc/23/24/91/169232491.db2.gz RXUWHSIVLDPIHJ-VIFPVBQESA-N 1 0 210.277 1.238 10 0 BDAERO CCCN1CCc2nc[nH]c2C12CC[NH2+]CC2 ZINC000253495531 169208409 /nfs/dbraw/zinc/20/84/09/169208409.db2.gz ICBXTZVTWVPLMO-UHFFFAOYSA-N 1 0 234.347 1.257 10 0 BDAERO c1cc(OCC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000051918758 183359044 /nfs/dbraw/zinc/35/90/44/183359044.db2.gz FUYYRKBMQDVFPC-NSHDSACASA-N 1 0 206.289 1.850 10 0 BDAERO c1cc(CCC[NH2+]C[C@@H]2CCCO2)ccn1 ZINC000076276783 183335535 /nfs/dbraw/zinc/33/55/35/183335535.db2.gz QSYURRYGQVJONQ-ZDUSSCGKSA-N 1 0 220.316 1.783 10 0 BDAERO CCC[NH2+]CC(C)(C)Cc1cnn(C)c1 ZINC000054638098 169255630 /nfs/dbraw/zinc/25/56/30/169255630.db2.gz KCBYZJQMHSOOAZ-UHFFFAOYSA-N 1 0 209.337 1.988 10 0 BDAERO CCC[NH2+]CCCCN(C)Cc1nccn1C ZINC000062326363 169257074 /nfs/dbraw/zinc/25/70/74/169257074.db2.gz JUNMIVYFPPLTMF-UHFFFAOYSA-N 1 0 238.379 1.632 10 0 BDAERO c1cc2c(cc1C[C@H]1CCC[NH2+]C1)OCCO2 ZINC000011630911 183369525 /nfs/dbraw/zinc/36/95/25/183369525.db2.gz RGYCRAKIMJJHLX-GFCCVEGCSA-N 1 0 233.311 2.000 10 0 BDAERO CCC[NH2+]CCc1cn2ccsc2n1 ZINC000076788171 169260947 /nfs/dbraw/zinc/26/09/47/169260947.db2.gz JTPUVZBZGLHJOJ-UHFFFAOYSA-N 1 0 209.318 1.938 10 0 BDAERO c1cc2c(cc1[C@@H]1C[NH2+]CCO1)OCCCO2 ZINC000036965085 183370421 /nfs/dbraw/zinc/37/04/21/183370421.db2.gz MFEAUCUHORXKLG-ZDUSSCGKSA-N 1 0 235.283 1.509 10 0 BDAERO CCC[NH2+]C[C@@H](c1ccccc1)n1cncn1 ZINC000052575274 169262386 /nfs/dbraw/zinc/26/23/86/169262386.db2.gz AXMASECUGKNNGI-ZDUSSCGKSA-N 1 0 230.315 1.867 10 0 BDAERO c1cc2c(cc1[C@H]1C[NH2+]CCO1)OCCO2 ZINC000011803066 183371467 /nfs/dbraw/zinc/37/14/67/183371467.db2.gz VVEHUQNCTMWKOU-GFCCVEGCSA-N 1 0 221.256 1.119 10 0 BDAERO CCCNC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000037916209 169235078 /nfs/dbraw/zinc/23/50/78/169235078.db2.gz RVKOTMIERFKABT-RYUDHWBXSA-N 1 0 239.363 1.570 10 0 BDAERO c1cc2c(cc1[C@H]1CC[NH2+]C1)OCCCO2 ZINC000049817231 183372288 /nfs/dbraw/zinc/37/22/88/183372288.db2.gz QGDFDEDKYOMWAQ-NSHDSACASA-N 1 0 219.284 1.925 10 0 BDAERO CCCNC(=O)[C@@H](C)Nc1[nH+]cc(N)cc1C ZINC000052813138 169242213 /nfs/dbraw/zinc/24/22/13/169242213.db2.gz VMXYOWXHEOADFR-SECBINFHSA-N 1 0 236.319 1.299 10 0 BDAERO CCCNC(=O)[C@H](C[NH3+])Cc1ccc(CC)cc1 ZINC000050304100 169249054 /nfs/dbraw/zinc/24/90/54/169249054.db2.gz GGMUXWATMJQARV-AWEZNQCLSA-N 1 0 248.370 1.893 10 0 BDAERO CCCNC(=O)c1c(N)sc2c1CC[NH2+]C2 ZINC000036673683 169249760 /nfs/dbraw/zinc/24/97/60/169249760.db2.gz KIAQTSQKWOYVPY-UHFFFAOYSA-N 1 0 239.344 1.116 10 0 BDAERO c1cc([C@H](C2CC2)N2CC[NH2+]CC2)ccn1 ZINC000076818365 183362377 /nfs/dbraw/zinc/36/23/77/183362377.db2.gz GPRHMNBSKRGNSB-ZDUSSCGKSA-N 1 0 217.316 1.438 10 0 BDAERO CCC[NH2+][C@H](C)CN(C)C[C@@H]1CCCO1 ZINC000043966288 169285747 /nfs/dbraw/zinc/28/57/47/169285747.db2.gz PYCBZEFIHSFWHS-NEPJUHHUSA-N 1 0 214.353 1.485 10 0 BDAERO c1ccc(C2=N[C@H]3CC[NH2+]C[C@@H]3S2)cc1 ZINC000064871443 183388842 /nfs/dbraw/zinc/38/88/42/183388842.db2.gz HNCGWLODEDWPHW-QWRGUYRKSA-N 1 0 218.325 1.911 10 0 BDAERO CCC[NH2+][C@H](CCc1cnn(CC)c1)COC ZINC000051696125 169289407 /nfs/dbraw/zinc/28/94/07/169289407.db2.gz HAUFOIXOMOAUHX-CYBMUJFWSA-N 1 0 239.363 1.850 10 0 BDAERO CCC[NH2+]C[C@H](O)c1ccccc1OC ZINC000032012201 169264418 /nfs/dbraw/zinc/26/44/18/169264418.db2.gz FGZVDPYEWIQQOX-NSHDSACASA-N 1 0 209.289 1.728 10 0 BDAERO CCC[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000033465976 169264582 /nfs/dbraw/zinc/26/45/82/169264582.db2.gz WHAYGAJFSBSEBK-NSHDSACASA-N 1 0 237.299 1.491 10 0 BDAERO CCC[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000033468572 169264612 /nfs/dbraw/zinc/26/46/12/169264612.db2.gz BBYHXRQVSYVWLV-LBPRGKRZSA-N 1 0 239.315 1.737 10 0 BDAERO c1ccc(CCC[NH2+]C[C@H]2COCCO2)cc1 ZINC000037998125 183392425 /nfs/dbraw/zinc/39/24/25/183392425.db2.gz ZVYXFODGYJCLRH-AWEZNQCLSA-N 1 0 235.327 1.624 10 0 BDAERO CCCNS(=O)(=O)c1cc(C[NH3+])ccc1C ZINC000020189342 169272204 /nfs/dbraw/zinc/27/22/04/169272204.db2.gz BZHCIFPMLOOPGX-UHFFFAOYSA-N 1 0 242.344 1.142 10 0 BDAERO CCC[NH2+][C@@H]1CCC[C@H]1CN1CCO[C@H](C)C1 ZINC000053862067 169281886 /nfs/dbraw/zinc/28/18/86/169281886.db2.gz MUCQGGAWOISHPG-HZSPNIEDSA-N 1 0 240.391 1.875 10 0 BDAERO CCC[NH2+][C@@H]1CCN([C@H](C)c2ccco2)C1=O ZINC000049648199 169282711 /nfs/dbraw/zinc/28/27/11/169282711.db2.gz MHZOZWVZCSYVES-GHMZBOCLSA-N 1 0 236.315 1.941 10 0 BDAERO CCC[NH2+][C@@H]1CCN(c2cccnc2)C1 ZINC000037240247 169283247 /nfs/dbraw/zinc/28/32/47/169283247.db2.gz RYWWKOXKXZOYSR-LLVKDONJSA-N 1 0 205.305 1.660 10 0 BDAERO CCC[NH2+][C@@H]1CCN(c2ccccc2F)C1=O ZINC000049647669 169283404 /nfs/dbraw/zinc/28/34/04/169283404.db2.gz IVHYDPWOEGJLEE-LLVKDONJSA-N 1 0 236.290 1.931 10 0 BDAERO CCCOCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000148850420 169302950 /nfs/dbraw/zinc/30/29/50/169302950.db2.gz HYKLXWVLZSRXKW-UHFFFAOYSA-N 1 0 240.347 1.110 10 0 BDAERO CCCOCCO[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000104245958 169309562 /nfs/dbraw/zinc/30/95/62/169309562.db2.gz UTOHREITZQRGER-WCQYABFASA-N 1 0 238.331 1.913 10 0 BDAERO CCCO[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000040924887 169311509 /nfs/dbraw/zinc/31/15/09/169311509.db2.gz ORYREUMTNAXSGD-JTQLQIEISA-N 1 0 228.336 1.141 10 0 BDAERO CCC[NH2+][C@H]1CCC[C@H]1OCCOCC ZINC000044060458 169291328 /nfs/dbraw/zinc/29/13/28/169291328.db2.gz HDZKYVBGMHCJSH-NWDGAFQWSA-N 1 0 215.337 1.960 10 0 BDAERO CCC[NH2+][C@H]1CCN(CCc2ccccn2)C1=O ZINC000049648577 169292045 /nfs/dbraw/zinc/29/20/45/169292045.db2.gz KTNXUMXANIKXMF-ZDUSSCGKSA-N 1 0 247.342 1.225 10 0 BDAERO CCCOc1ccc([C@@H](O)C[NH3+])cc1OC ZINC000032014997 169321776 /nfs/dbraw/zinc/32/17/76/169321776.db2.gz QDJUFAAWBXPIQR-JTQLQIEISA-N 1 0 225.288 1.476 10 0 BDAERO CCCOc1ccc([C@H](O)C[NH3+])cc1OC ZINC000032014998 169322186 /nfs/dbraw/zinc/32/21/86/169322186.db2.gz QDJUFAAWBXPIQR-SNVBAGLBSA-N 1 0 225.288 1.476 10 0 BDAERO CCCOc1ccc([C@H]([NH2+]C2CC2)C(N)=O)cc1 ZINC000052920245 169322317 /nfs/dbraw/zinc/32/23/17/169322317.db2.gz LIQKPJBBXWRYDJ-ZDUSSCGKSA-N 1 0 248.326 1.754 10 0 BDAERO CCC[C@@H](C(=O)NCCc1cccnc1)[NH+](C)C ZINC000134349729 169344505 /nfs/dbraw/zinc/34/45/05/169344505.db2.gz XSUKQUWVAVAWMJ-ZDUSSCGKSA-N 1 0 249.358 1.471 10 0 BDAERO CCC[C@@H](C)NC(=O)CNCC[N@H+](C)C(C)C ZINC000054112461 169366951 /nfs/dbraw/zinc/36/69/51/169366951.db2.gz OVFWSLUNHCCQPL-GFCCVEGCSA-N 1 0 243.395 1.221 10 0 BDAERO CCC[C@@H](C)NC(=O)C[NH2+]CC(C)(C)N(C)C ZINC000049855170 169367209 /nfs/dbraw/zinc/36/72/09/169367209.db2.gz COGRRMCCDLGBCC-LLVKDONJSA-N 1 0 243.395 1.221 10 0 BDAERO CCC[C@@H](C)NC(=O)CN[C@@H](C)CC[NH+](C)C ZINC000049557077 169367228 /nfs/dbraw/zinc/36/72/28/169367228.db2.gz FRGWDHLCPZLAHB-NWDGAFQWSA-N 1 0 243.395 1.221 10 0 BDAERO CCC[C@@H](C)NC(=O)C[NH2+][C@@H](CO)CC(C)C ZINC000049288211 169367392 /nfs/dbraw/zinc/36/73/92/169367392.db2.gz SPHNISCCSSCETJ-VXGBXAGGSA-N 1 0 244.379 1.288 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@@H](C)N(C)C[C@@H](C)C[NH3+] ZINC000042455854 169368543 /nfs/dbraw/zinc/36/85/43/169368543.db2.gz XWKKBQCBZGGERF-QJPTWQEYSA-N 1 0 243.395 1.206 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCCOCC ZINC000034938527 169368573 /nfs/dbraw/zinc/36/85/73/169368573.db2.gz MSKDCKQPXWTTCG-VXGBXAGGSA-N 1 0 244.379 1.696 10 0 BDAERO CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000034937643 169370489 /nfs/dbraw/zinc/37/04/89/169370489.db2.gz ZLPCXEJNKGSWRA-MNOVXSKESA-N 1 0 214.353 1.925 10 0 BDAERO c1cn2c(n1)C[C@@H](C[NH2+]C1CCCC1)CC2 ZINC000309542209 183475221 /nfs/dbraw/zinc/47/52/21/183475221.db2.gz GOJHRSUSKINPHI-NSHDSACASA-N 1 0 219.332 1.978 10 0 BDAERO CCC[C@@H](C)C[NH2+]CCC(=O)OCC ZINC000045686506 169358959 /nfs/dbraw/zinc/35/89/59/169358959.db2.gz ZAMNLRLXIQNVNO-SNVBAGLBSA-N 1 0 201.310 1.965 10 0 BDAERO CCC[C@@H](C[NH3+])CCC(=O)N1CCCC1 ZINC000076585655 169384059 /nfs/dbraw/zinc/38/40/59/169384059.db2.gz AFARFTXEIDYEGP-LLVKDONJSA-N 1 0 212.337 1.764 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCCOC(C)(C)C1 ZINC000309581858 169388518 /nfs/dbraw/zinc/38/85/18/169388518.db2.gz QPFMFTZMZGHVKB-SNVBAGLBSA-N 1 0 228.336 1.141 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCC(CC)(CC)CO ZINC000226694073 169388844 /nfs/dbraw/zinc/38/88/44/169388844.db2.gz DDYBOAPPLVMTJT-SNVBAGLBSA-N 1 0 230.352 1.029 10 0 BDAERO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(O)cc1 ZINC000039214291 166634150 /nfs/dbraw/zinc/63/41/50/166634150.db2.gz SGBTYBFTCQAYEK-LLVKDONJSA-N 1 0 239.315 1.520 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1SCC ZINC000225555091 169391614 /nfs/dbraw/zinc/39/16/14/169391614.db2.gz OTVLHFQLDSXOMR-VWYCJHECSA-N 1 0 244.404 1.904 10 0 BDAERO CCC[C@@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000082722419 169393845 /nfs/dbraw/zinc/39/38/45/169393845.db2.gz FRLIGJXIIBOYRD-LLVKDONJSA-N 1 0 227.329 1.890 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](O)COC ZINC000310042416 169419221 /nfs/dbraw/zinc/41/92/21/169419221.db2.gz ZJIPSWGTMPUNAH-JHJVBQTASA-N 1 0 229.364 1.942 10 0 BDAERO CO[C@@H](C)CN1CCC([NH+]2CCCC2)CC1 ZINC000182066265 134341559 /nfs/dbraw/zinc/34/15/59/134341559.db2.gz JMPOHLVHHJBHGT-LBPRGKRZSA-N 1 0 226.364 1.582 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000226330759 259610217 /nfs/dbraw/zinc/61/02/17/259610217.db2.gz LFANPFXGWNFEHQ-CYDGBPFRSA-N 1 0 236.359 1.905 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H](O)COC)C(C)(C)C ZINC000308614762 170897945 /nfs/dbraw/zinc/89/79/45/170897945.db2.gz RNUJBXLDRJDLHN-NXEZZACHSA-N 1 0 203.326 1.408 10 0 BDAERO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000224205111 134345706 /nfs/dbraw/zinc/34/57/06/134345706.db2.gz MIMWEKVLNOIGGS-MFKMUULPSA-N 1 0 239.363 1.786 10 0 BDAERO CCC[C@H]([NH3+])Cc1nc(-c2ncccn2)no1 ZINC000110461263 169504498 /nfs/dbraw/zinc/50/44/98/169504498.db2.gz HHCXFXVQFCWURD-QMMMGPOBSA-N 1 0 233.275 1.197 10 0 BDAERO CC1(C)[C@@H]([NH2+][C@H]2CCCOC2)[C@@H]2CCO[C@@H]21 ZINC000224433047 134347325 /nfs/dbraw/zinc/34/73/25/134347325.db2.gz ZFSUTOZJDHQIPE-BJDJZHNGSA-N 1 0 225.332 1.569 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H]1C1CC1 ZINC000082359762 166665836 /nfs/dbraw/zinc/66/58/36/166665836.db2.gz MIFVKKHSVZTNCA-ZJUUUORDSA-N 1 0 226.320 1.652 10 0 BDAERO CCC[C@](C)([NH2+]CCC[NH+](C)C)C(=O)[O-] ZINC000041764942 169550174 /nfs/dbraw/zinc/55/01/74/169550174.db2.gz GAFPZXQKHKCXPP-NSHDSACASA-N 1 0 216.325 1.171 10 0 BDAERO CCC[C@]1(C(=O)Nc2cn[nH]c2)CCC[NH2+]C1 ZINC000062853870 169555416 /nfs/dbraw/zinc/55/54/16/169555416.db2.gz MUCAFBSLHNUXRV-LBPRGKRZSA-N 1 0 236.319 1.518 10 0 BDAERO CCCn1c(C)nnc1C1CCC([NH3+])CC1 ZINC000042030195 169611790 /nfs/dbraw/zinc/61/17/90/169611790.db2.gz UKFITDNDEGRHDO-UHFFFAOYSA-N 1 0 222.336 1.981 10 0 BDAERO CC[C@@H]1COCCN1C1(C[NH3+])CCCC1 ZINC000036325943 171105382 /nfs/dbraw/zinc/10/53/82/171105382.db2.gz KKEIUFXAWCMSRP-LLVKDONJSA-N 1 0 212.337 1.369 10 0 BDAERO CO[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000227460103 134384299 /nfs/dbraw/zinc/38/42/99/134384299.db2.gz NCDJXLJSZHXQRL-WISYIIOYSA-N 1 0 240.347 1.058 10 0 BDAERO CN(Cc1cccnc1)C[C@@H]1CCCC[NH2+]1 ZINC000036771401 383910068 /nfs/dbraw/zinc/91/00/68/383910068.db2.gz WLWUFYXCMLOSRJ-ZDUSSCGKSA-N 1 0 219.332 1.656 10 0 BDAERO CC(C)C[C@@H](C[NH3+])CC(=O)OCCOC(C)C ZINC000088273488 383890936 /nfs/dbraw/zinc/89/09/36/383890936.db2.gz AESNNDOEDQNWKV-GFCCVEGCSA-N 1 0 245.363 1.966 10 0 BDAERO CCc1nsc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000309406075 383978172 /nfs/dbraw/zinc/97/81/72/383978172.db2.gz IAFHRWKQAHWGQX-LDYMZIIASA-N 1 0 240.376 1.522 10 0 BDAERO [NH3+][C@H]1CCN(CC(=O)c2cccc(Cl)c2)C1 ZINC000050242330 383986780 /nfs/dbraw/zinc/98/67/80/383986780.db2.gz LCINHIYGZYSVMS-NSHDSACASA-N 1 0 238.718 1.556 10 0 BDAERO CN[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000050270040 383988563 /nfs/dbraw/zinc/98/85/63/383988563.db2.gz OEZXGWAPWJPAIU-VIFPVBQESA-N 1 0 202.660 1.698 10 0 BDAERO Cc1nnc(SCCCC[NH3+])s1 ZINC000037669124 383995602 /nfs/dbraw/zinc/99/56/02/383995602.db2.gz RUUUIDCOJLEZDA-UHFFFAOYSA-N 1 0 203.336 1.678 10 0 BDAERO CC[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643614354 383998022 /nfs/dbraw/zinc/99/80/22/383998022.db2.gz SYXFASYARWTODR-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@](C)([NH3+])c1nc(C(C)C)cc(=O)[nH]1 ZINC000068577524 383999298 /nfs/dbraw/zinc/99/92/98/383999298.db2.gz IHEDWRBRZOYWPE-NSHDSACASA-N 1 0 209.293 1.477 10 0 BDAERO Cn1cc(CCC[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000314462001 383999619 /nfs/dbraw/zinc/99/96/19/383999619.db2.gz HERMZWMQKKKCHU-ZDUSSCGKSA-N 1 0 237.347 1.511 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000296207842 383967269 /nfs/dbraw/zinc/96/72/69/383967269.db2.gz MJLRUMOBAFXQEG-RISCZKNCSA-N 1 0 235.327 1.524 10 0 BDAERO C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[C@H]1O ZINC000309412075 383977071 /nfs/dbraw/zinc/97/70/71/383977071.db2.gz IQPSDCIKWXSCNQ-IJLUTSLNSA-N 1 0 223.320 1.022 10 0 BDAERO CCCCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643614633 384016316 /nfs/dbraw/zinc/01/63/16/384016316.db2.gz FSPRPOSMBWXHIC-UHFFFAOYSA-N 1 0 242.363 1.309 10 0 BDAERO CCc1ccccc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643617458 384010469 /nfs/dbraw/zinc/01/04/69/384010469.db2.gz DPPFAUVXMDFUFT-GFCCVEGCSA-N 1 0 248.326 1.424 10 0 BDAERO c1cnn(CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114483339 384038153 /nfs/dbraw/zinc/03/81/53/384038153.db2.gz WYCYXQMKHFDZQX-CYBMUJFWSA-N 1 0 245.330 1.833 10 0 BDAERO COC(=O)[C@H]1C[C@@H](C[NH3+])c2ccccc21 ZINC000038363669 384082966 /nfs/dbraw/zinc/08/29/66/384082966.db2.gz VLYNBHYMQUZEDV-KWQFWETISA-N 1 0 205.257 1.389 10 0 BDAERO ClC1(Cl)C[C@H]1CN1CC[NH2+]CC1 ZINC000070166553 384083944 /nfs/dbraw/zinc/08/39/44/384083944.db2.gz MHKLZEFJKSZTSD-ZETCQYMHSA-N 1 0 209.120 1.085 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)CCCc1ccccn1 ZINC000178619888 384085484 /nfs/dbraw/zinc/08/54/84/384085484.db2.gz QKDGXNJMHYDFLQ-LLVKDONJSA-N 1 0 235.331 1.258 10 0 BDAERO C[C@@H]1[C@@H](C2CCCCC2)OCC[N@@H+]1CCO ZINC000039110992 384105519 /nfs/dbraw/zinc/10/55/19/384105519.db2.gz HCSROBCNBKUTEE-YPMHNXCESA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[NH2+][C@@H]2C1 ZINC000207405709 384124218 /nfs/dbraw/zinc/12/42/18/384124218.db2.gz AHUMUTMZKQKDPI-IWSPIJDZSA-N 1 0 212.293 1.262 10 0 BDAERO [NH3+][C@@H]1CC(=O)N(Cc2ccc(Cl)s2)C1 ZINC000070600853 384124685 /nfs/dbraw/zinc/12/46/85/384124685.db2.gz HBMKYOXSIIPXRI-ZCFIWIBFSA-N 1 0 230.720 1.461 10 0 BDAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccccc2)CCO1 ZINC000116788478 384154864 /nfs/dbraw/zinc/15/48/64/384154864.db2.gz HYZRELAWNMBLMJ-ZDUSSCGKSA-N 1 0 248.326 1.089 10 0 BDAERO CN[C@H](C[NH3+])c1occc1Br ZINC000234447985 384174990 /nfs/dbraw/zinc/17/49/90/384174990.db2.gz DMFRIAJWCIZZJS-ZCFIWIBFSA-N 1 0 219.082 1.261 10 0 BDAERO Cn1ccs/c1=N\C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000163228464 384180703 /nfs/dbraw/zinc/18/07/03/384180703.db2.gz YPCUXYKHRBIJAV-WCPWRMLGSA-N 1 0 239.344 1.031 10 0 BDAERO Cc1ccsc1C[NH2+][C@@H]1CCCNC1=O ZINC000050394051 384202733 /nfs/dbraw/zinc/20/27/33/384202733.db2.gz FVBMFEWXMHOOOK-SECBINFHSA-N 1 0 224.329 1.425 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)CO1 ZINC000401877189 384187094 /nfs/dbraw/zinc/18/70/94/384187094.db2.gz FXDBNZYCRLKZQH-RHYQMDGZSA-N 1 0 213.321 1.305 10 0 BDAERO COC(=O)COCCC[NH2+]Cc1ccccc1 ZINC000234518849 384195975 /nfs/dbraw/zinc/19/59/75/384195975.db2.gz PQTSWSABQZPQJE-UHFFFAOYSA-N 1 0 237.299 1.356 10 0 BDAERO C[NH2+][C@@H](CO)c1cc(Br)cs1 ZINC000041678692 384196720 /nfs/dbraw/zinc/19/67/20/384196720.db2.gz OSRNRLPAGXQPSF-LURJTMIESA-N 1 0 236.134 1.763 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000050394713 384198990 /nfs/dbraw/zinc/19/89/90/384198990.db2.gz QSHDIMUIUFYVRS-WDEREUQCSA-N 1 0 208.305 1.211 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1cccs1)n1cccn1 ZINC000043106940 384199954 /nfs/dbraw/zinc/19/99/54/384199954.db2.gz GDVNFLZNEFXCBC-SCZZXKLOSA-N 1 0 207.302 1.881 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cccc(O)c1 ZINC000282320678 384233693 /nfs/dbraw/zinc/23/36/93/384233693.db2.gz NPSVPIDLIBRGIP-CWSCBRNRSA-N 1 0 248.326 1.710 10 0 BDAERO CCCCN(CC)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082558805 384236442 /nfs/dbraw/zinc/23/64/42/384236442.db2.gz FZIPXSWXAFPNFQ-QWRGUYRKSA-N 1 0 212.337 1.491 10 0 BDAERO COC[C@@]1(C(=O)NCCCC(C)C)CCC[NH2+]1 ZINC000643634611 384209159 /nfs/dbraw/zinc/20/91/59/384209159.db2.gz WNOYGPSWSAHVRE-CYBMUJFWSA-N 1 0 242.363 1.307 10 0 BDAERO CC[C@](C)(C[NH2+][C@@H]1CCC[C@H](O)C1)OC ZINC000319433197 384246794 /nfs/dbraw/zinc/24/67/94/384246794.db2.gz KGOLAZVRPKKWFA-GRYCIOLGSA-N 1 0 215.337 1.695 10 0 BDAERO CC[C@](C)(C[NH2+][C@H]1CCC[C@@H](O)C1)OC ZINC000319433199 384246808 /nfs/dbraw/zinc/24/68/08/384246808.db2.gz KGOLAZVRPKKWFA-QJPTWQEYSA-N 1 0 215.337 1.695 10 0 BDAERO CC(C)CN(C(=O)[C@H]1C[NH2+]CCOC1)C(C)C ZINC000643643609 384277353 /nfs/dbraw/zinc/27/73/53/384277353.db2.gz ZTZUCNQJBNBRPP-LBPRGKRZSA-N 1 0 242.363 1.115 10 0 BDAERO Cc1c(C[NH2+]CCc2cccnc2)cnn1C ZINC000093650000 384258744 /nfs/dbraw/zinc/25/87/44/384258744.db2.gz YFKPLENKTQZLPV-UHFFFAOYSA-N 1 0 230.315 1.456 10 0 BDAERO Cc1ccncc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282374307 384263698 /nfs/dbraw/zinc/26/36/98/384263698.db2.gz OBRZBNUKFKBJSG-ZYHUDNBSSA-N 1 0 233.315 1.147 10 0 BDAERO Cc1ccncc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282374303 384263884 /nfs/dbraw/zinc/26/38/84/384263884.db2.gz OBRZBNUKFKBJSG-PWSUYJOCSA-N 1 0 233.315 1.147 10 0 BDAERO CC(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000083037105 384278219 /nfs/dbraw/zinc/27/82/19/384278219.db2.gz LNKFRYLETBQMHR-VXGBXAGGSA-N 1 0 222.263 1.099 10 0 BDAERO C[C@H](O)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082993998 384273905 /nfs/dbraw/zinc/27/39/05/384273905.db2.gz LISMKBHEWCTEIN-NAKRPEOUSA-N 1 0 213.321 1.160 10 0 BDAERO CC[C@@H](C(=O)OCC[NH3+])c1ccccc1 ZINC000097758242 384279247 /nfs/dbraw/zinc/27/92/47/384279247.db2.gz ZBRDWHVFKVATHR-LLVKDONJSA-N 1 0 207.273 1.682 10 0 BDAERO COC(=O)c1cncc([C@@H]2CCCC[NH2+]2)c1 ZINC000097758660 384284022 /nfs/dbraw/zinc/28/40/22/384284022.db2.gz ZBTOUDNZFUFGRZ-NSHDSACASA-N 1 0 220.272 1.683 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCC1(O)CCC1 ZINC000335474849 384293845 /nfs/dbraw/zinc/29/38/45/384293845.db2.gz KPQCCOCEKYUKLN-QWRGUYRKSA-N 1 0 213.321 1.137 10 0 BDAERO Cc1[nH]ccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000159047347 384296997 /nfs/dbraw/zinc/29/69/97/384296997.db2.gz MLSGYSMQLJFTJD-GXFFZTMASA-N 1 0 249.358 1.782 10 0 BDAERO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1cccnc1 ZINC000133603008 384302282 /nfs/dbraw/zinc/30/22/82/384302282.db2.gz HYDJJJMFCVXONE-RISCZKNCSA-N 1 0 247.342 1.791 10 0 BDAERO Clc1nccc(COC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070308 384336223 /nfs/dbraw/zinc/33/62/23/384336223.db2.gz MPNUEDXRGPXLQH-VIFPVBQESA-N 1 0 241.722 1.789 10 0 BDAERO Clc1nccc(OC[C@H]2CC[NH2+]C2)n1 ZINC000095070340 384336461 /nfs/dbraw/zinc/33/64/61/384336461.db2.gz FUQZLNAZTAVCNF-ZETCQYMHSA-N 1 0 213.668 1.118 10 0 BDAERO Clc1cc(S[C@H]2CC[NH2+]C2)ncn1 ZINC000095070445 384336628 /nfs/dbraw/zinc/33/66/28/384336628.db2.gz VEMRDILJFFEEQJ-LURJTMIESA-N 1 0 215.709 1.584 10 0 BDAERO Clc1ccc(COC[C@@H]2CCC[NH2+]2)nn1 ZINC000095070497 384337035 /nfs/dbraw/zinc/33/70/35/384337035.db2.gz OCWWXXVTXCROQP-QMMMGPOBSA-N 1 0 227.695 1.399 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)C(=O)c1cccs1 ZINC000095071175 384338638 /nfs/dbraw/zinc/33/86/38/384338638.db2.gz FKALEGHHDGJRRH-VIFPVBQESA-N 1 0 224.329 1.430 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)C(=O)c1ccsc1 ZINC000095071041 384339249 /nfs/dbraw/zinc/33/92/49/384339249.db2.gz RSOMCKWSRCQMKE-JTQLQIEISA-N 1 0 238.356 1.820 10 0 BDAERO CN(C[C@@H]1CC[NH2+]C1)c1ccnc(Cl)n1 ZINC000095071202 384339413 /nfs/dbraw/zinc/33/94/13/384339413.db2.gz UWGCMRLUZGZWKZ-MRVPVSSYSA-N 1 0 226.711 1.176 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1ncc(Cl)cn1 ZINC000095070794 384339437 /nfs/dbraw/zinc/33/94/37/384339437.db2.gz RFRCNFMFZCSBNP-JTQLQIEISA-N 1 0 240.738 1.708 10 0 BDAERO CN(Cc1cncs1)C[C@@H]1CCCC[NH2+]1 ZINC000095070874 384339551 /nfs/dbraw/zinc/33/95/51/384339551.db2.gz BXTMOQBLVNZJKP-JTQLQIEISA-N 1 0 225.361 1.717 10 0 BDAERO CN(CC(=O)c1ccccn1)CC1CC[NH2+]CC1 ZINC000095071330 384341016 /nfs/dbraw/zinc/34/10/16/384341016.db2.gz UJUFWCCDVYUDML-UHFFFAOYSA-N 1 0 247.342 1.196 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1CC(=O)c1ccc[nH]1 ZINC000095072436 384342706 /nfs/dbraw/zinc/34/27/06/384342706.db2.gz KIQBBTWPJYEMBA-JTQLQIEISA-N 1 0 221.304 1.011 10 0 BDAERO [NH3+]C[C@@H]1CCCN1Cc1ccnc(Cl)n1 ZINC000095072637 384342840 /nfs/dbraw/zinc/34/28/40/384342840.db2.gz HALDZWWDZQCPPB-VIFPVBQESA-N 1 0 226.711 1.053 10 0 BDAERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncccc2F)C1 ZINC000335583359 384346346 /nfs/dbraw/zinc/34/63/46/384346346.db2.gz WHUVQVOSRXGYBP-RKDXNWHRSA-N 1 0 209.268 1.760 10 0 BDAERO O=C(COC[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000095072876 384346586 /nfs/dbraw/zinc/34/65/86/384346586.db2.gz WJGAQXFCMVUESO-SNVBAGLBSA-N 1 0 220.272 1.033 10 0 BDAERO O=[S@@](Cc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000095073451 384347482 /nfs/dbraw/zinc/34/74/82/384347482.db2.gz RVWDCDVNFQEWQL-XHDPSFHLSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](C[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000095073493 384348692 /nfs/dbraw/zinc/34/86/92/384348692.db2.gz HJBYWBGDLNAAEG-RTHLEPHNSA-N 1 0 230.358 1.393 10 0 BDAERO O=[S@](Cc1cncs1)C[C@H]1CCC[NH2+]C1 ZINC000095073642 384350217 /nfs/dbraw/zinc/35/02/17/384350217.db2.gz RTBHKRMSHBDZGZ-BJOHPYRUSA-N 1 0 244.385 1.391 10 0 BDAERO O=[S@](Cc1ccncc1)CC1CC[NH2+]CC1 ZINC000095073730 384350357 /nfs/dbraw/zinc/35/03/57/384350357.db2.gz BBEGHBCEDABEIY-INIZCTEOSA-N 1 0 238.356 1.330 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@H]1Cc1cccc(F)c1 ZINC000095075920 384350638 /nfs/dbraw/zinc/35/06/38/384350638.db2.gz UBYRNKBJHLHKJR-DGCLKSJQSA-N 1 0 223.291 1.993 10 0 BDAERO O=[S@](CC1CC[NH2+]CC1)c1ccncc1 ZINC000095073711 384350737 /nfs/dbraw/zinc/35/07/37/384350737.db2.gz GUAGABGEUVLCHM-HNNXBMFYSA-N 1 0 224.329 1.189 10 0 BDAERO FC(F)(F)NC[C@H]1CCC[N@@H+]1C1CC1 ZINC000095077065 384352264 /nfs/dbraw/zinc/35/22/64/384352264.db2.gz ZSOAUMULBBVPLP-MRVPVSSYSA-N 1 0 208.227 1.723 10 0 BDAERO FC(F)(F)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000095076985 384352395 /nfs/dbraw/zinc/35/23/95/384352395.db2.gz DQQHFJLXBQPTOM-QMMMGPOBSA-N 1 0 208.227 1.723 10 0 BDAERO O=C1Nc2ccccc2CN1C[C@@H]1CC[NH2+]C1 ZINC000095077848 384353384 /nfs/dbraw/zinc/35/33/84/384353384.db2.gz HFKKOFBJYTUPJG-SNVBAGLBSA-N 1 0 231.299 1.644 10 0 BDAERO [NH3+][C@H](CCO)c1nccc2ccccc21 ZINC000095077217 384353538 /nfs/dbraw/zinc/35/35/38/384353538.db2.gz OTMYNXVIGDJIGB-LLVKDONJSA-N 1 0 202.257 1.617 10 0 BDAERO Cc1cnccc1CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000335592622 384355220 /nfs/dbraw/zinc/35/52/20/384355220.db2.gz QDIDBQRYUPFHDI-FZMZJTMJSA-N 1 0 234.343 1.635 10 0 BDAERO c1cnc2[nH]c(OCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092478 384360287 /nfs/dbraw/zinc/36/02/87/384360287.db2.gz BOKRYVGYWGWIDX-JTQLQIEISA-N 1 0 246.314 1.869 10 0 BDAERO CC(C)(C)OC(=O)N1CC(CC[NH2+]C2CC2)C1 ZINC000095083018 384361564 /nfs/dbraw/zinc/36/15/64/384361564.db2.gz HRPJGPILJIDXDX-UHFFFAOYSA-N 1 0 240.347 1.995 10 0 BDAERO CCN(C[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000095091237 384361616 /nfs/dbraw/zinc/36/16/16/384361616.db2.gz DOTCZQKEUCCCSG-QMMMGPOBSA-N 1 0 210.243 1.970 10 0 BDAERO Cc1csc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000335596273 384363628 /nfs/dbraw/zinc/36/36/28/384363628.db2.gz HJPNOGDWYICGCG-IUCAKERBSA-N 1 0 239.344 1.778 10 0 BDAERO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)nc1 ZINC000335596325 384364069 /nfs/dbraw/zinc/36/40/69/384364069.db2.gz LPKMTKNZSFHHTC-WDEREUQCSA-N 1 0 233.315 1.717 10 0 BDAERO C[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000095347656 384369779 /nfs/dbraw/zinc/36/97/79/384369779.db2.gz WZYNYEJNHUTUMN-TZMCWYRMSA-N 1 0 234.343 1.495 10 0 BDAERO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cnccn1 ZINC000095068345 384329191 /nfs/dbraw/zinc/32/91/91/384329191.db2.gz QREAMJAQGKCRHI-MNOVXSKESA-N 1 0 220.320 1.269 10 0 BDAERO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068332 384329212 /nfs/dbraw/zinc/32/92/12/384329212.db2.gz MPWIZPYCHBDIQE-QWRGUYRKSA-N 1 0 207.321 1.807 10 0 BDAERO COC[C@]1(C(=O)N(C)CC(C)(C)C)CCC[NH2+]1 ZINC000643650836 384330369 /nfs/dbraw/zinc/33/03/69/384330369.db2.gz RVINJQDUBKGLHF-ZDUSSCGKSA-N 1 0 242.363 1.260 10 0 BDAERO C[C@@H](N[C@@H]1CCCC[C@@H]1[NH3+])c1cnccn1 ZINC000095068321 384331113 /nfs/dbraw/zinc/33/11/13/384331113.db2.gz VLJHWKMPVUHAHI-OUAUKWLOSA-N 1 0 220.320 1.397 10 0 BDAERO Cc1ccnc([S@@](=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000095069215 384331644 /nfs/dbraw/zinc/33/16/44/384331644.db2.gz XGPHPUTZZSDQCA-MEDUHNTESA-N 1 0 238.356 1.640 10 0 BDAERO Cc1ccnc([S@](=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000095069218 384331921 /nfs/dbraw/zinc/33/19/21/384331921.db2.gz XGPHPUTZZSDQCA-BZNIZROVSA-N 1 0 238.356 1.640 10 0 BDAERO Cc1ccc([S@@](=O)C[C@@H]2CCC[NH2+]2)nc1 ZINC000095069056 384332926 /nfs/dbraw/zinc/33/29/26/384332926.db2.gz IFZFIIBFRWSDNB-ZUZCIYMTSA-N 1 0 224.329 1.250 10 0 BDAERO Cc1cc(N2CC[NH2+]C[C@@H]2C)nc(Cl)n1 ZINC000095069569 384334876 /nfs/dbraw/zinc/33/48/76/384334876.db2.gz FQLQQRCWQFYACT-QMMMGPOBSA-N 1 0 226.711 1.237 10 0 BDAERO Cc1cnc(OC[C@@H]2CC[NH2+]C2)nc1Cl ZINC000095069351 384334980 /nfs/dbraw/zinc/33/49/80/384334980.db2.gz LBVCUHAOPXGIDU-MRVPVSSYSA-N 1 0 227.695 1.427 10 0 BDAERO CN(C)c1nccc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000095830593 384399558 /nfs/dbraw/zinc/39/95/58/384399558.db2.gz OQDTXZAMLUTVLL-JTQLQIEISA-N 1 0 220.320 1.085 10 0 BDAERO Cc1ccc(C[NH3+])nc1Br ZINC000095830289 384399743 /nfs/dbraw/zinc/39/97/43/384399743.db2.gz FERXDQSMOWTTSH-UHFFFAOYSA-N 1 0 201.067 1.611 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000262765674 384403757 /nfs/dbraw/zinc/40/37/57/384403757.db2.gz KUUMBJLXKFEERY-SWHYSGLUSA-N 1 0 246.354 1.810 10 0 BDAERO [NH3+]CCN1CC[C@@H](n2cccn2)c2ccccc21 ZINC000616673821 384411082 /nfs/dbraw/zinc/41/10/82/384411082.db2.gz FJWGHYSAWYFWHM-CQSZACIVSA-N 1 0 242.326 1.641 10 0 BDAERO CC(=O)C[NH2+]CCC[C@H](O)c1cccnc1 ZINC000095935480 384415020 /nfs/dbraw/zinc/41/50/20/384415020.db2.gz NYBIXXYPXGRYHS-LBPRGKRZSA-N 1 0 222.288 1.074 10 0 BDAERO O=C1CC2(CN1c1ccccc1)CC[NH2+]CC2 ZINC000095937481 384417201 /nfs/dbraw/zinc/41/72/01/384417201.db2.gz KDCHNWLPMOJGCP-UHFFFAOYSA-N 1 0 230.311 1.793 10 0 BDAERO FCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000121463559 384419199 /nfs/dbraw/zinc/41/91/99/384419199.db2.gz HKUKMPZQWQCSOX-MNOVXSKESA-N 1 0 201.285 1.989 10 0 BDAERO C[C@@H](CCCO)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000096033787 384423755 /nfs/dbraw/zinc/42/37/55/384423755.db2.gz UGFUXNYLRNKJRV-DCAQKATOSA-N 1 0 215.337 1.693 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CCO1 ZINC000084224067 384380079 /nfs/dbraw/zinc/38/00/79/384380079.db2.gz JKWHZSWXNBWONB-KXNHARMFSA-N 1 0 213.321 1.305 10 0 BDAERO [NH3+]Cc1nnc(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000061843823 384382980 /nfs/dbraw/zinc/38/29/80/384382980.db2.gz FOFDGGVZVHNCBD-UHFFFAOYSA-N 1 0 242.204 1.949 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)CO)c1ccc2ccccc2c1 ZINC000078430075 384445298 /nfs/dbraw/zinc/44/52/98/384445298.db2.gz WXJZXXCKWIXSGH-XHDPSFHLSA-N 1 0 245.322 1.844 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC12CC2 ZINC000648179891 384448288 /nfs/dbraw/zinc/44/82/88/384448288.db2.gz JCQWYCGQJNZWFD-IVZWLZJFSA-N 1 0 208.305 1.030 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC2(C)C)C1 ZINC000121684026 384433387 /nfs/dbraw/zinc/43/33/87/384433387.db2.gz IKGXITDXHKHDEV-VHSXEESVSA-N 1 0 210.321 1.195 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(C(N)=O)c1 ZINC000334314244 384436141 /nfs/dbraw/zinc/43/61/41/384436141.db2.gz OXIHHVGHTCPOMB-KCJUWKMLSA-N 1 0 247.298 1.132 10 0 BDAERO Cc1c(C[NH2+]C[C@H]2CCC[C@H](O)C2)cnn1C ZINC000229812981 384441005 /nfs/dbraw/zinc/44/10/05/384441005.db2.gz VNIWBBKQZFACBT-AAEUAGOBSA-N 1 0 237.347 1.369 10 0 BDAERO FC1(F)CCCC[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000335662170 384467481 /nfs/dbraw/zinc/46/74/81/384467481.db2.gz ITTWREWQLMOMAF-ZJUUUORDSA-N 1 0 218.291 1.763 10 0 BDAERO c1nc2n(n1)C[C@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000122340119 384477252 /nfs/dbraw/zinc/47/72/52/384477252.db2.gz IHGGUAXTHLQONU-VXGBXAGGSA-N 1 0 232.331 1.539 10 0 BDAERO c1cc2c(o1)CCC[C@@H]2[NH2+]CCn1cncn1 ZINC000278908300 384458382 /nfs/dbraw/zinc/45/83/82/384458382.db2.gz ZYMQAMFNBAAQQL-NSHDSACASA-N 1 0 232.287 1.538 10 0 BDAERO [NH3+]Cc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000044248924 384545198 /nfs/dbraw/zinc/54/51/98/384545198.db2.gz GRPGALVEJMLHAT-UHFFFAOYSA-N 1 0 239.218 1.439 10 0 BDAERO CC(C)(C)OC(=O)N1CC([C@H](F)C[NH3+])C1 ZINC000258226758 384548144 /nfs/dbraw/zinc/54/81/44/384548144.db2.gz FWUFPXRFMIHHAV-MRVPVSSYSA-N 1 0 218.272 1.150 10 0 BDAERO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)cn1 ZINC000334746183 384558016 /nfs/dbraw/zinc/55/80/16/384558016.db2.gz OSNFJBUUGMMNEV-GXFFZTMASA-N 1 0 220.316 1.593 10 0 BDAERO CC[C@H](CO)[NH2+]C1CC(c2ccccn2)C1 ZINC000309729449 384563747 /nfs/dbraw/zinc/56/37/47/384563747.db2.gz ZIEDHVFWFVHUQV-MOENNCHZSA-N 1 0 220.316 1.688 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCF ZINC000151306795 384565879 /nfs/dbraw/zinc/56/58/79/384565879.db2.gz GSUHWPREQQPBPL-LLVKDONJSA-N 1 0 202.317 1.762 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)CC[C@@H](C)O ZINC000086189925 384619095 /nfs/dbraw/zinc/61/90/95/384619095.db2.gz INBMJTNSDAEHAN-NEPJUHHUSA-N 1 0 214.353 1.173 10 0 BDAERO OC1CC(C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000084446215 384619770 /nfs/dbraw/zinc/61/97/70/384619770.db2.gz MYDHAAFIMRULMO-UHFFFAOYSA-N 1 0 215.680 1.794 10 0 BDAERO Cn1cnc(C[NH2+][C@H]2CCC[C@H]2CCF)n1 ZINC000309600861 384619857 /nfs/dbraw/zinc/61/98/57/384619857.db2.gz WLVRLDVEXVUMKA-UWVGGRQHSA-N 1 0 226.299 1.433 10 0 BDAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2nccs2)C1 ZINC000100266022 384627276 /nfs/dbraw/zinc/62/72/76/384627276.db2.gz UCPBNLBEFASHNY-VHSXEESVSA-N 1 0 225.361 1.888 10 0 BDAERO Cc1ccnc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000100259968 384628997 /nfs/dbraw/zinc/62/89/97/384628997.db2.gz NZFDKLMMSBOYJB-AOOOYVTPSA-N 1 0 206.293 1.467 10 0 BDAERO CC(C)OCC[N@@H+]1CCS[C@@H](C)C1 ZINC000171697324 384630957 /nfs/dbraw/zinc/63/09/57/384630957.db2.gz CKGLHOZTCVQHCH-JTQLQIEISA-N 1 0 203.351 1.849 10 0 BDAERO COC(=O)CC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000171504693 384593603 /nfs/dbraw/zinc/59/36/03/384593603.db2.gz DIQCULPCUIDTEY-NSHDSACASA-N 1 0 237.303 1.120 10 0 BDAERO [NH3+]Cc1occc1I ZINC000098095776 384593912 /nfs/dbraw/zinc/59/39/12/384593912.db2.gz UHXQXAQJVPROMK-UHFFFAOYSA-N 1 0 223.013 1.343 10 0 BDAERO Cc1n[nH]c2cccc(N3CC[NH2+]CC3)c12 ZINC000082369625 384676341 /nfs/dbraw/zinc/67/63/41/384676341.db2.gz REMVYEZSUYUAGU-UHFFFAOYSA-N 1 0 216.288 1.281 10 0 BDAERO Cc1occc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335913221 384676261 /nfs/dbraw/zinc/67/62/61/384676261.db2.gz ZIPQKAKALNEYDG-GMSGAONNSA-N 1 0 208.261 1.150 10 0 BDAERO Cn1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)n1 ZINC000124739769 384672853 /nfs/dbraw/zinc/67/28/53/384672853.db2.gz RSMOEDIWFLAOKK-VXGBXAGGSA-N 1 0 223.320 1.203 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(Cl)cn1 ZINC000306747719 384674322 /nfs/dbraw/zinc/67/43/22/384674322.db2.gz JJBDPMBKRANIDL-IONNQARKSA-N 1 0 211.696 1.661 10 0 BDAERO CCCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000042269536 384636216 /nfs/dbraw/zinc/63/62/16/384636216.db2.gz PMACYRYQKQCPOH-MNOVXSKESA-N 1 0 228.336 1.060 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H](c2ccccc2C)C1 ZINC000082162793 384647746 /nfs/dbraw/zinc/64/77/46/384647746.db2.gz YLDXDBBRSRCKQT-NWDGAFQWSA-N 1 0 233.311 1.861 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1ncncc1Cl ZINC000306831943 384680907 /nfs/dbraw/zinc/68/09/07/384680907.db2.gz NIHGEDXZLBTWEP-BQBZGAKWSA-N 1 0 212.684 1.056 10 0 BDAERO c1cnc(SC[C@@H]2CCCC[NH2+]2)cn1 ZINC000082433470 384682426 /nfs/dbraw/zinc/68/24/26/384682426.db2.gz RRMZFRNELXHMIX-VIFPVBQESA-N 1 0 209.318 1.711 10 0 BDAERO c1ccc2[nH]c(OCC3CC[NH2+]CC3)nc2c1 ZINC000051869608 384696374 /nfs/dbraw/zinc/69/63/74/384696374.db2.gz CPUYKALSBKSILG-UHFFFAOYSA-N 1 0 231.299 1.941 10 0 BDAERO Cc1ccc(OC[C@H]2CCCC[NH2+]2)nn1 ZINC000051883542 384696664 /nfs/dbraw/zinc/69/66/64/384696664.db2.gz KVMIHVFHBZUBRA-SNVBAGLBSA-N 1 0 207.277 1.306 10 0 BDAERO CN(C)[C@@H](C[NH3+])c1c[nH]c2c1cccc2F ZINC000082599008 384696985 /nfs/dbraw/zinc/69/69/85/384696985.db2.gz WYWNCUAKNSAXCL-NSHDSACASA-N 1 0 221.279 1.868 10 0 BDAERO Cc1ccnc(SC[C@@H]2CC[NH2+]C2)n1 ZINC000051891196 384700253 /nfs/dbraw/zinc/70/02/53/384700253.db2.gz LDNGGDFGSNAOJD-SECBINFHSA-N 1 0 209.318 1.487 10 0 BDAERO CC[C@H]1C[N@@H+]([C@@H](C)COC)CCN1CCOC ZINC000173680479 384709210 /nfs/dbraw/zinc/70/92/10/384709210.db2.gz LMBIMUPJMXFZHT-STQMWFEESA-N 1 0 244.379 1.064 10 0 BDAERO COC[C@@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000173722459 384714240 /nfs/dbraw/zinc/71/42/40/384714240.db2.gz CAPQRFPIWWYKPS-ZJUUUORDSA-N 1 0 242.344 1.551 10 0 BDAERO COC[C@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000173722444 384714482 /nfs/dbraw/zinc/71/44/82/384714482.db2.gz CAPQRFPIWWYKPS-UWVGGRQHSA-N 1 0 242.344 1.551 10 0 BDAERO C[NH+](C)CCc1c[nH]c2ccc(N)cc12 ZINC000021987638 384715681 /nfs/dbraw/zinc/71/56/81/384715681.db2.gz KYXMPXCAXJDUTQ-UHFFFAOYSA-N 1 0 203.289 1.854 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)C1CCC(C)CC1 ZINC000054074957 384730574 /nfs/dbraw/zinc/73/05/74/384730574.db2.gz VUCJOJZVYXTTNY-HSOILSAZSA-N 1 0 212.337 1.631 10 0 BDAERO CC[C@H](C)[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291468 384732476 /nfs/dbraw/zinc/73/24/76/384732476.db2.gz UNMDHSVPIMNYIZ-TUAOUCFPSA-N 1 0 226.364 1.927 10 0 BDAERO C[C@@H]([NH3+])Cc1ncccc1Br ZINC000044463342 384733705 /nfs/dbraw/zinc/73/37/05/384733705.db2.gz VTVQOVLQHBDNMZ-ZCFIWIBFSA-N 1 0 215.094 1.734 10 0 BDAERO Cc1ccc(N[C@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000334848767 384747207 /nfs/dbraw/zinc/74/72/07/384747207.db2.gz KESURLCBZSTPTD-MNOVXSKESA-N 1 0 205.305 1.800 10 0 BDAERO Cn1nc(-c2cccnc2)c2c1CC[NH2+]C2 ZINC000082810974 384748553 /nfs/dbraw/zinc/74/85/53/384748553.db2.gz KMJYSSNAFLWYQL-UHFFFAOYSA-N 1 0 214.272 1.128 10 0 BDAERO CCSCC[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000174083002 384753352 /nfs/dbraw/zinc/75/33/52/384753352.db2.gz WTSOAUNLRNFHAV-LBPRGKRZSA-N 1 0 246.420 1.128 10 0 BDAERO Cc1c(F)cccc1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000335049396 384779886 /nfs/dbraw/zinc/77/98/86/384779886.db2.gz FQFMAFOHZXNURU-SNVBAGLBSA-N 1 0 236.290 1.473 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)Cn1cncn1 ZINC000309991060 384761234 /nfs/dbraw/zinc/76/12/34/384761234.db2.gz BAXZTCBFPMIWPZ-WOPDTQHZSA-N 1 0 222.336 1.835 10 0 BDAERO N[C@@H](C[NH3+])c1c(F)cc(Cl)cc1F ZINC000072200696 384816254 /nfs/dbraw/zinc/81/62/54/384816254.db2.gz VXLOGQNZPYKBQU-ZETCQYMHSA-N 1 0 206.623 1.577 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000054074121 384817564 /nfs/dbraw/zinc/81/75/64/384817564.db2.gz XKISLJWHXAZAJL-SSDOTTSWSA-N 1 0 218.260 1.109 10 0 BDAERO CC[C@@H]([NH2+]CCN1CCNC1=O)C(C)(C)C ZINC000310019625 384785894 /nfs/dbraw/zinc/78/58/94/384785894.db2.gz MNGLRURGCQCXGH-SNVBAGLBSA-N 1 0 227.352 1.426 10 0 BDAERO Cc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cn1 ZINC000360984061 384787230 /nfs/dbraw/zinc/78/72/30/384787230.db2.gz CUXNQAVSRYWGHT-LBPRGKRZSA-N 1 0 220.316 1.594 10 0 BDAERO CC[C@](C)(C[N@@H+]1CCN2CCC[C@@H]2C1)OC ZINC000323062018 384788943 /nfs/dbraw/zinc/78/89/43/384788943.db2.gz KSQGKIPAQBXKDV-CHWSQXEVSA-N 1 0 226.364 1.582 10 0 BDAERO CC[C@@H](COC)[NH2+][C@@H]1CCc2nccn2C1 ZINC000310022272 384790052 /nfs/dbraw/zinc/79/00/52/384790052.db2.gz NYEYBAFWLINVGF-WDEREUQCSA-N 1 0 223.320 1.213 10 0 BDAERO Cc1ccnc(NC2C[NH2+]C2)c1Br ZINC000235930504 384794354 /nfs/dbraw/zinc/79/43/54/384794354.db2.gz LWJIKZWWVDQUIV-UHFFFAOYSA-N 1 0 242.120 1.536 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000310035660 384803278 /nfs/dbraw/zinc/80/32/78/384803278.db2.gz UBCMFWBBLJRHCP-MNOVXSKESA-N 1 0 247.404 1.835 10 0 BDAERO CCC[C@]1(CO)CCN(CC[NH2+]C(C)C)C1 ZINC000310038254 384806259 /nfs/dbraw/zinc/80/62/59/384806259.db2.gz VXHXULDHJLMGCP-ZDUSSCGKSA-N 1 0 228.380 1.469 10 0 BDAERO C[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)CC(F)F ZINC000648193488 384807927 /nfs/dbraw/zinc/80/79/27/384807927.db2.gz BMSDRPJCNSGBBO-SKDRFNHKSA-N 1 0 248.317 1.926 10 0 BDAERO Cc1nc(C)c(C(=O)N2CC[C@H]([NH+](C)C)C2)o1 ZINC000174583861 384813199 /nfs/dbraw/zinc/81/31/99/384813199.db2.gz WVCAJDVCECIQBS-JTQLQIEISA-N 1 0 237.303 1.068 10 0 BDAERO N[C@H](C[NH3+])c1ccc(F)cc1C(F)(F)F ZINC000072201035 384813874 /nfs/dbraw/zinc/81/38/74/384813874.db2.gz BXXOVQMCIGLCDY-MRVPVSSYSA-N 1 0 222.185 1.803 10 0 BDAERO [NH3+][C@@H](CO)c1cc(F)ccc1Br ZINC000072198735 384814521 /nfs/dbraw/zinc/81/45/21/384814521.db2.gz FLRLALVSLIHJIV-QMMMGPOBSA-N 1 0 234.068 1.580 10 0 BDAERO [NH3+][C@@H](CO)c1cccc(F)c1C(F)(F)F ZINC000072198456 384815247 /nfs/dbraw/zinc/81/52/47/384815247.db2.gz ICKDGVNAOCPMAJ-ZETCQYMHSA-N 1 0 223.169 1.837 10 0 BDAERO CC(C)n1cc(C[NH2+][C@@H]2CCO[C@@H]2C)cn1 ZINC000127313415 384881817 /nfs/dbraw/zinc/88/18/17/384881817.db2.gz YJZQCRFDRRXRMI-ZYHUDNBSSA-N 1 0 223.320 1.731 10 0 BDAERO CSCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000306870560 384860769 /nfs/dbraw/zinc/86/07/69/384860769.db2.gz VPIABDZYPCFRAS-DCAQKATOSA-N 1 0 215.362 1.442 10 0 BDAERO CC1(C)[C@H]([NH2+][C@@H]2CC23CC3)[C@H]2CCO[C@@H]21 ZINC000424333635 384950671 /nfs/dbraw/zinc/95/06/71/384950671.db2.gz YAGKINRCBDACLF-DBIOUOCHSA-N 1 0 207.317 1.942 10 0 BDAERO Cc1ccc2c(c1)[C@@]1(CC[NH2+]C1)C(=O)N2 ZINC000107144452 384952972 /nfs/dbraw/zinc/95/29/72/384952972.db2.gz QCXNYXKDFAALTM-LBPRGKRZSA-N 1 0 202.257 1.178 10 0 BDAERO O=C(C1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036236606 384899433 /nfs/dbraw/zinc/89/94/33/384899433.db2.gz RCZLAMMGPFNRMX-NWDGAFQWSA-N 1 0 222.332 1.387 10 0 BDAERO C[C@H]1CCCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643693441 384899695 /nfs/dbraw/zinc/89/96/95/384899695.db2.gz MZOREJOWTCZKAF-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO O=C(CCc1ccoc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175385147 384901944 /nfs/dbraw/zinc/90/19/44/384901944.db2.gz QSVQHFVQODXOMO-CYBMUJFWSA-N 1 0 248.326 1.519 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC2CC2)[C@@H](C)C1 ZINC000156638331 384904173 /nfs/dbraw/zinc/90/41/73/384904173.db2.gz ZZRXBNOAICXQDK-JQWIXIFHSA-N 1 0 239.363 1.424 10 0 BDAERO c1coc(-c2noc([C@@H]3C[NH2+]CCOC3)n2)c1 ZINC000644512944 384923120 /nfs/dbraw/zinc/92/31/20/384923120.db2.gz NMDKYJNSHUYJLN-MRVPVSSYSA-N 1 0 235.243 1.033 10 0 BDAERO Cc1nn(C)c2nccc(N[C@@H](C)C[NH3+])c12 ZINC000257754940 384923429 /nfs/dbraw/zinc/92/34/29/384923429.db2.gz NKKZIZBDFWUYCP-ZETCQYMHSA-N 1 0 219.292 1.036 10 0 BDAERO Cc1cccc(-c2ccn(CC[NH3+])n2)n1 ZINC000143668182 384929432 /nfs/dbraw/zinc/92/94/32/384929432.db2.gz AHGKRFNHHHDOFB-UHFFFAOYSA-N 1 0 202.261 1.212 10 0 BDAERO C[C@H](C[NH3+])CNc1cc(NC2CC2)ncn1 ZINC000258548368 384935472 /nfs/dbraw/zinc/93/54/72/384935472.db2.gz ADAHYHQMYSVYME-MRVPVSSYSA-N 1 0 221.308 1.058 10 0 BDAERO COc1ccccc1CNC[C@@H]1CC[NH2+]C1 ZINC000258764616 384944624 /nfs/dbraw/zinc/94/46/24/384944624.db2.gz AJGYANNBUQMNPZ-LLVKDONJSA-N 1 0 220.316 1.394 10 0 BDAERO CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790295 384968055 /nfs/dbraw/zinc/96/80/55/384968055.db2.gz RHHMXWYRZLDZNM-GRYCIOLGSA-N 1 0 214.353 1.341 10 0 BDAERO O=S1(=O)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304542044 384980731 /nfs/dbraw/zinc/98/07/31/384980731.db2.gz IUTQIGZKXDFRLT-IRCOFANPSA-N 1 0 243.372 1.342 10 0 BDAERO O=C(N1CCC2(CCC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634755109 384980824 /nfs/dbraw/zinc/98/08/24/384980824.db2.gz RMQAZKSEYUGJTK-WFASDCNBSA-N 1 0 248.370 1.779 10 0 BDAERO [NH3+]CCc1ccc(-c2ncnc3[nH]cnc32)cc1 ZINC000014961014 384983303 /nfs/dbraw/zinc/98/33/03/384983303.db2.gz AOXVRIHLGDJGQV-UHFFFAOYSA-N 1 0 239.282 1.521 10 0 BDAERO C[C@H](COCc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000307331284 384990113 /nfs/dbraw/zinc/99/01/13/384990113.db2.gz OUQTXTGZWHSVPA-TZMCWYRMSA-N 1 0 234.343 1.543 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000062706015 384995107 /nfs/dbraw/zinc/99/51/07/384995107.db2.gz LXPVHKWAPVXVAA-ALFREKQPSA-N 1 0 205.179 1.485 10 0 BDAERO CC(C)C1([NH2+]CCCS(C)(=O)=O)CC1 ZINC000339510126 385010641 /nfs/dbraw/zinc/01/06/41/385010641.db2.gz YSHBPJBYPBLECB-UHFFFAOYSA-N 1 0 219.350 1.199 10 0 BDAERO CO[C@@H]1C[N@H+](CC2(O)CCC2)CC[C@@H]1C ZINC000334148992 385050964 /nfs/dbraw/zinc/05/09/64/385050964.db2.gz DCKLFQSEUVDFSY-WDEREUQCSA-N 1 0 213.321 1.258 10 0 BDAERO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000086624703 385032345 /nfs/dbraw/zinc/03/23/45/385032345.db2.gz WRQHEMMNJVAZBO-MNOVXSKESA-N 1 0 235.327 1.901 10 0 BDAERO CN(CC1CC[NH2+]CC1)c1ccc(Cl)nn1 ZINC000086704005 385040809 /nfs/dbraw/zinc/04/08/09/385040809.db2.gz QAZAYSJKWQEKLD-UHFFFAOYSA-N 1 0 240.738 1.566 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccccc2F)C1 ZINC000310539848 385108507 /nfs/dbraw/zinc/10/85/07/385108507.db2.gz SHVUYDTWWDLENC-RYUDHWBXSA-N 1 0 239.290 1.407 10 0 BDAERO CCc1cc(N2C[C@@H](C)C[C@H](O)C2)cc[nH+]1 ZINC000336275327 385111663 /nfs/dbraw/zinc/11/16/63/385111663.db2.gz PCKFYEXKLFPASD-GWCFXTLKSA-N 1 0 220.316 1.851 10 0 BDAERO Cc1ccnc(NC2CCC([NH3+])CC2)n1 ZINC000061858750 385141954 /nfs/dbraw/zinc/14/19/54/385141954.db2.gz NZFDKLMMSBOYJB-UHFFFAOYSA-N 1 0 206.293 1.467 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000151599961 385121716 /nfs/dbraw/zinc/12/17/16/385121716.db2.gz JVJQNIUTDYVHJO-NSHDSACASA-N 1 0 208.305 1.115 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]CC1(OC)CCOCC1 ZINC000310035864 385086633 /nfs/dbraw/zinc/08/66/33/385086633.db2.gz UEHSATARJZKRHK-NEPJUHHUSA-N 1 0 227.348 1.960 10 0 BDAERO Cc1ccnc(N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000061859607 385140586 /nfs/dbraw/zinc/14/05/86/385140586.db2.gz NCHIWFKLOGHHDD-NXEZZACHSA-N 1 0 206.293 1.467 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccccc2F)C1 ZINC000310539849 385106846 /nfs/dbraw/zinc/10/68/46/385106846.db2.gz SHVUYDTWWDLENC-VXGBXAGGSA-N 1 0 239.290 1.407 10 0 BDAERO Cc1ccnc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000061859928 385141348 /nfs/dbraw/zinc/14/13/48/385141348.db2.gz PAMRXMAORFHVJS-NSHDSACASA-N 1 0 221.304 1.554 10 0 BDAERO Nc1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)ccn1 ZINC000308815273 385184576 /nfs/dbraw/zinc/18/45/76/385184576.db2.gz DWVRVJLMTWWEEN-MNOVXSKESA-N 1 0 203.289 1.648 10 0 BDAERO [NH3+]Cc1ccc(-n2cccn2)c(Cl)c1 ZINC000062793203 385186322 /nfs/dbraw/zinc/18/63/22/385186322.db2.gz HXEKJDISLPDGSX-UHFFFAOYSA-N 1 0 207.664 1.984 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C1 ZINC000308821670 385192793 /nfs/dbraw/zinc/19/27/93/385192793.db2.gz CEWSXHMOFUZZRJ-RCWTZXSCSA-N 1 0 210.321 1.432 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC2CCCC2)C1 ZINC000308827442 385195731 /nfs/dbraw/zinc/19/57/31/385195731.db2.gz IJHDYAUMEYSXPN-NWDGAFQWSA-N 1 0 213.321 1.258 10 0 BDAERO COCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000177951814 385143164 /nfs/dbraw/zinc/14/31/64/385143164.db2.gz CWPOEXDYDTXFAT-SRVKXCTJSA-N 1 0 215.337 1.959 10 0 BDAERO C[NH+](C)[C@H]1CCN(c2ccncc2Cl)C1 ZINC000176918717 385158969 /nfs/dbraw/zinc/15/89/69/385158969.db2.gz KEMRJSCEHIQQBQ-VIFPVBQESA-N 1 0 225.723 1.875 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000308834498 385200850 /nfs/dbraw/zinc/20/08/50/385200850.db2.gz HOZFMIRTPXCUHN-HLUHBDAQSA-N 1 0 205.305 1.796 10 0 BDAERO C[C@H]1CSC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000307571433 385170463 /nfs/dbraw/zinc/17/04/63/385170463.db2.gz CXNODNHFQYJHBQ-NFTFJBJSSA-N 1 0 201.335 1.098 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000282525814 385241934 /nfs/dbraw/zinc/24/19/34/385241934.db2.gz YPOGZHMZFUGKEV-JSGCOSHPSA-N 1 0 246.354 1.876 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@@]2(C)CCOC2)[C@H]2CCO[C@H]21 ZINC000344064735 385249390 /nfs/dbraw/zinc/24/93/90/385249390.db2.gz BVROSVPCVPXYEW-HKUMRIAESA-N 1 0 239.359 1.816 10 0 BDAERO [NH3+]Cc1cn(Cc2ccc(F)cc2Cl)nn1 ZINC000050224490 385312533 /nfs/dbraw/zinc/31/25/33/385312533.db2.gz SWVYPIMEYBTYAA-UHFFFAOYSA-N 1 0 240.669 1.578 10 0 BDAERO CCc1cc(N[C@@H]2CCC(=O)N[C@H]2C)cc[nH+]1 ZINC000307777095 385262769 /nfs/dbraw/zinc/26/27/69/385262769.db2.gz UWSFOBTWQCIGBJ-JOYOIKCWSA-N 1 0 233.315 1.723 10 0 BDAERO C[C@H]1CC[C@H](NC(=O)CC(F)(F)F)C[NH2+]1 ZINC000164690414 385270713 /nfs/dbraw/zinc/27/07/13/385270713.db2.gz WNWMHHDNGQTNER-BQBZGAKWSA-N 1 0 224.226 1.196 10 0 BDAERO COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052270670 385271308 /nfs/dbraw/zinc/27/13/08/385271308.db2.gz UABMFDDXPJPJDQ-BXKDBHETSA-N 1 0 219.284 1.971 10 0 BDAERO C[NH+](C)CCc1ccc(O)c2n[nH]cc21 ZINC000034110200 385273891 /nfs/dbraw/zinc/27/38/91/385273891.db2.gz AYDZVPXNUAPACG-UHFFFAOYSA-N 1 0 205.261 1.373 10 0 BDAERO c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC=CO1 ZINC000191104604 385283562 /nfs/dbraw/zinc/28/35/62/385283562.db2.gz CHTSUZPWRLXIPH-QWRGUYRKSA-N 1 0 234.303 1.395 10 0 BDAERO CC(C)C[C@@H](C)C[NH2+]CCn1cncn1 ZINC000308980893 385323770 /nfs/dbraw/zinc/32/37/70/385323770.db2.gz IBSKAWDTMWZTPU-LLVKDONJSA-N 1 0 210.325 1.550 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000282528785 385301069 /nfs/dbraw/zinc/30/10/69/385301069.db2.gz YWCMETSODCQVQU-JOYOIKCWSA-N 1 0 234.299 1.149 10 0 BDAERO [NH3+]C1CN(C(=O)/C=C/c2ccccc2F)C1 ZINC000409424374 385332053 /nfs/dbraw/zinc/33/20/53/385332053.db2.gz UWBDVJMIQMYFRT-AATRIKPKSA-N 1 0 220.247 1.008 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cncc(F)c1 ZINC000294956482 385334609 /nfs/dbraw/zinc/33/46/09/385334609.db2.gz HYYCFXWJHXDPEK-JOYOIKCWSA-N 1 0 224.279 1.566 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cc(C)ccc2C)C1 ZINC000311148614 385342547 /nfs/dbraw/zinc/34/25/47/385342547.db2.gz VJGRFLXOKHHIJB-GJZGRUSLSA-N 1 0 249.354 1.885 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC000158096161 385345028 /nfs/dbraw/zinc/34/50/28/385345028.db2.gz OGEBPBWKESMVEE-CYBMUJFWSA-N 1 0 249.358 1.664 10 0 BDAERO CC[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000643982529 385349676 /nfs/dbraw/zinc/34/96/76/385349676.db2.gz SUDRXTKEKMCTGW-VHSXEESVSA-N 1 0 248.317 1.782 10 0 BDAERO CC(C)[NH2+]CCN1CCCOC(C)(C)C1 ZINC000309005349 385365490 /nfs/dbraw/zinc/36/54/90/385365490.db2.gz POQGLDPEMVCCNM-UHFFFAOYSA-N 1 0 214.353 1.485 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)C2CCC2)c1 ZINC000179292366 385372359 /nfs/dbraw/zinc/37/23/59/385372359.db2.gz ZAAUFJGCRIEMRR-NSHDSACASA-N 1 0 207.321 1.970 10 0 BDAERO FC(F)c1nnc(NC2CC[NH2+]CC2)s1 ZINC000309032364 385381137 /nfs/dbraw/zinc/38/11/37/385381137.db2.gz CNKHPFKNMSQBMS-UHFFFAOYSA-N 1 0 234.275 1.640 10 0 BDAERO FC(F)(F)C(F)(F)OC1CC[NH2+]CC1 ZINC000091252391 385325725 /nfs/dbraw/zinc/32/57/25/385325725.db2.gz HHSZDDMBJHDGPE-UHFFFAOYSA-N 1 0 219.153 1.910 10 0 BDAERO C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)C1CCCC1 ZINC000644051922 385399794 /nfs/dbraw/zinc/39/97/94/385399794.db2.gz LVUXMIXHRDRBFX-GXSJLCMTSA-N 1 0 224.348 1.679 10 0 BDAERO COCc1noc([C@@H](C)[NH2+][C@H](C)C(C)C)n1 ZINC000181325500 385406023 /nfs/dbraw/zinc/40/60/23/385406023.db2.gz NPKKGRLEXPGROJ-RKDXNWHRSA-N 1 0 227.308 1.911 10 0 BDAERO Cc1cc(C)nc(SCC2C[NH2+]C2)n1 ZINC000169726337 385418953 /nfs/dbraw/zinc/41/89/53/385418953.db2.gz IZYNGJHNEQKUGP-UHFFFAOYSA-N 1 0 209.318 1.405 10 0 BDAERO C[N@H+](CC1CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000156141351 385438165 /nfs/dbraw/zinc/43/81/65/385438165.db2.gz UZTSXTCQRNUJOL-ZDUSSCGKSA-N 1 0 246.358 1.787 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000170863513 385450880 /nfs/dbraw/zinc/45/08/80/385450880.db2.gz ROEGNTJCHONXGG-CQSZACIVSA-N 1 0 246.354 1.782 10 0 BDAERO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)o1 ZINC000170858450 385451099 /nfs/dbraw/zinc/45/10/99/385451099.db2.gz BWWRPTQUSBLOJU-LLVKDONJSA-N 1 0 236.315 1.673 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccn2)C1 ZINC000170874645 385452493 /nfs/dbraw/zinc/45/24/93/385452493.db2.gz LKJWBOHLCYQRQR-SNVBAGLBSA-N 1 0 234.303 1.249 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cccnc1 ZINC000295136397 385456895 /nfs/dbraw/zinc/45/68/95/385456895.db2.gz ZBPQUYRKOFZXQK-PWSUYJOCSA-N 1 0 206.289 1.427 10 0 BDAERO C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000281513845 385435583 /nfs/dbraw/zinc/43/55/83/385435583.db2.gz YWEVISYFDGTSNA-LDYMZIIASA-N 1 0 229.707 1.344 10 0 BDAERO C[NH2+]C[C@H]1CN(c2cc(F)cc(F)c2)C(=O)O1 ZINC000616568694 385491127 /nfs/dbraw/zinc/49/11/27/385491127.db2.gz LVTJJQXJYGFRRN-JTQLQIEISA-N 1 0 242.225 1.509 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)o1 ZINC000282152450 385512693 /nfs/dbraw/zinc/51/26/93/385512693.db2.gz CTYYHQZYNKGIKU-DCAQKATOSA-N 1 0 236.315 1.906 10 0 BDAERO CS(=O)(=O)c1cc(Cl)ccc1C[NH3+] ZINC000157695428 385517265 /nfs/dbraw/zinc/51/72/65/385517265.db2.gz CUJDLJZXDBMTAU-UHFFFAOYSA-N 1 0 219.693 1.202 10 0 BDAERO c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(C2CC2)n1 ZINC000171939192 385535392 /nfs/dbraw/zinc/53/53/92/385535392.db2.gz SHQGNJTUIYFCSX-GFCCVEGCSA-N 1 0 244.342 1.638 10 0 BDAERO CCOc1nccnc1N1CCC(C)([NH3+])CC1 ZINC000643028455 385523925 /nfs/dbraw/zinc/52/39/25/385523925.db2.gz JMRBSSIHEUAYAF-UHFFFAOYSA-N 1 0 236.319 1.193 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCNC1=O)C1CCSCC1 ZINC000309417858 385575507 /nfs/dbraw/zinc/57/55/07/385575507.db2.gz JMHKRWFLNOHUAU-GXSJLCMTSA-N 1 0 242.388 1.386 10 0 BDAERO CCCC[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000158162823 385551065 /nfs/dbraw/zinc/55/10/65/385551065.db2.gz CZLHIRHMTOHYTH-UHFFFAOYSA-N 1 0 225.336 1.969 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC2(CC2)CC1 ZINC000309387452 385560175 /nfs/dbraw/zinc/56/01/75/385560175.db2.gz FFULFYYUFSXXFB-JTQLQIEISA-N 1 0 210.321 1.516 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000054072809 385596268 /nfs/dbraw/zinc/59/62/68/385596268.db2.gz VEMPANDSHUFNFI-SECBINFHSA-N 1 0 249.314 1.500 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C[C@H](C)O)C1(C)C ZINC000309475118 385597763 /nfs/dbraw/zinc/59/77/63/385597763.db2.gz ROOPFDXLNWAJQO-HHHUOAJASA-N 1 0 229.364 1.795 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)NC1(C)C)C1CCC1 ZINC000309475605 385599396 /nfs/dbraw/zinc/59/93/96/385599396.db2.gz RVHHKYPUNAMMQF-ONGXEEELSA-N 1 0 224.348 1.822 10 0 BDAERO CC[C@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)OC ZINC000309419156 385578854 /nfs/dbraw/zinc/57/88/54/385578854.db2.gz XTAIOJPWFFKEDD-CHWSQXEVSA-N 1 0 226.364 1.582 10 0 BDAERO CN1CC[NH2+]C[C@H]1c1cc2ccccc2nn1 ZINC000259646549 385611670 /nfs/dbraw/zinc/61/16/70/385611670.db2.gz XGTDSKHOKFFJIW-ZDUSSCGKSA-N 1 0 228.299 1.206 10 0 BDAERO COC(=O)c1ccc2c(c1)[C@H](C)[NH2+]CC2 ZINC000060053735 385680817 /nfs/dbraw/zinc/68/08/17/385680817.db2.gz FECPVEISYOJZBN-QMMMGPOBSA-N 1 0 205.257 1.680 10 0 BDAERO CCc1nc(C)c(CN2CCC[C@H]([NH3+])C2)o1 ZINC000311773814 385687404 /nfs/dbraw/zinc/68/74/04/385687404.db2.gz HSOGUHAHHNMEOA-JTQLQIEISA-N 1 0 223.320 1.469 10 0 BDAERO FC1(F)CCC[C@@H](C[NH2+]C2COC2)C1 ZINC000300781960 385715890 /nfs/dbraw/zinc/71/58/90/385715890.db2.gz ASLKIKWSWORRGQ-MRVPVSSYSA-N 1 0 205.248 1.800 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]C(C)C)C12CCOCC2 ZINC000186200349 385746493 /nfs/dbraw/zinc/74/64/93/385746493.db2.gz CBCGYBJOPWHGFK-NWDGAFQWSA-N 1 0 227.348 1.959 10 0 BDAERO O=C(c1ccoc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186499340 385761984 /nfs/dbraw/zinc/76/19/84/385761984.db2.gz RKLFDRMNTUSXGA-LLVKDONJSA-N 1 0 234.299 1.636 10 0 BDAERO O=S(=O)(C[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000259204803 385787264 /nfs/dbraw/zinc/78/72/64/385787264.db2.gz KYKNFNMCGQEDAK-MRVPVSSYSA-N 1 0 231.342 1.131 10 0 BDAERO CCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186518097 385766318 /nfs/dbraw/zinc/76/63/18/385766318.db2.gz NHMJFDBUJVCZDT-SNVBAGLBSA-N 1 0 210.321 1.530 10 0 BDAERO CC(C)=CC[NH2+][C@H]1CCCn2c(C)nnc21 ZINC000309651537 385769520 /nfs/dbraw/zinc/76/95/20/385769520.db2.gz YABMHSRDQIKJCN-NSHDSACASA-N 1 0 220.320 1.977 10 0 BDAERO Cc1csc(-n2ccnc2CC[NH3+])n1 ZINC000052304382 385724942 /nfs/dbraw/zinc/72/49/42/385724942.db2.gz NNLIQMPBSFVWNO-UHFFFAOYSA-N 1 0 208.290 1.138 10 0 BDAERO CCOc1cncc(N[C@H](C)CCCC[NH3+])n1 ZINC000336714488 385808581 /nfs/dbraw/zinc/80/85/81/385808581.db2.gz PBPOOTBJFIALCF-SNVBAGLBSA-N 1 0 238.335 1.805 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@H]1c1ccccc1OC ZINC000215991024 385857509 /nfs/dbraw/zinc/85/75/09/385857509.db2.gz BNGQVWYNCWYKLE-CMPLNLGQSA-N 1 0 249.310 1.561 10 0 BDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC1 ZINC000112113504 385831254 /nfs/dbraw/zinc/83/12/54/385831254.db2.gz DAKIYCQEPQXZSH-CYBMUJFWSA-N 1 0 232.327 1.392 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1ccc(N)cc1 ZINC000616636600 385831307 /nfs/dbraw/zinc/83/13/07/385831307.db2.gz FZIFUXMKELDFOI-ZDUSSCGKSA-N 1 0 219.332 1.624 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H](c2cccc(OC)c2)C1 ZINC000215987271 385855736 /nfs/dbraw/zinc/85/57/36/385855736.db2.gz KJPUEJXQNOKFSV-VXGBXAGGSA-N 1 0 249.310 1.561 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@]1(F)C1CCOCC1 ZINC000307058513 385884480 /nfs/dbraw/zinc/88/44/80/385884480.db2.gz GICNBBWAHJDQOC-KOLCDFICSA-N 1 0 201.285 1.751 10 0 BDAERO C[C@H](C[C@H]1COCCN1)[NH2+][C@H]1CSC1(C)C ZINC000393857173 385892705 /nfs/dbraw/zinc/89/27/05/385892705.db2.gz VRGMOVKIZZLYNG-VWYCJHECSA-N 1 0 244.404 1.237 10 0 BDAERO Nc1cccc(NCC[NH+]2CCCC2)c1 ZINC000054112178 385898789 /nfs/dbraw/zinc/89/87/89/385898789.db2.gz BKQOBAHHUMROEP-UHFFFAOYSA-N 1 0 205.305 1.777 10 0 BDAERO C[C@@H]1CC[C@@H](NC2=[NH+]CCS2)CS1 ZINC000575535107 385903502 /nfs/dbraw/zinc/90/35/02/385903502.db2.gz RSUBVTBMPBERRD-HTQZYQBOSA-N 1 0 216.375 1.963 10 0 BDAERO C[C@H]1CC[C@@H](N2CC[NH2+]CC2)CS1 ZINC000575535456 385904722 /nfs/dbraw/zinc/90/47/22/385904722.db2.gz MELUPWBQTDCZAB-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO FC(F)(F)[C@@H]1CCN([C@H]2CC[NH2+]C2)C1 ZINC000307128342 385929380 /nfs/dbraw/zinc/92/93/80/385929380.db2.gz DYFHFDSXOGEIAL-SFYZADRCSA-N 1 0 208.227 1.233 10 0 BDAERO Cc1cnccc1C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000294923628 385916023 /nfs/dbraw/zinc/91/60/23/385916023.db2.gz FUENUAFJPBCCJP-YPMHNXCESA-N 1 0 220.316 1.735 10 0 BDAERO CC[C@@H](COC)[NH2+]C[C@H]1CC12CCOCC2 ZINC000336748899 385987599 /nfs/dbraw/zinc/98/75/99/385987599.db2.gz YIKRJJWGUPDFHM-NEPJUHHUSA-N 1 0 227.348 1.818 10 0 BDAERO CCc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)nc(C)n1 ZINC000272811170 385937429 /nfs/dbraw/zinc/93/74/29/385937429.db2.gz CKWHEHOIPOYYEE-ZWNOBZJWSA-N 1 0 248.374 1.734 10 0 BDAERO Cc1nn(C)cc1C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000307652371 385965629 /nfs/dbraw/zinc/96/56/29/385965629.db2.gz SRUWYRCIBZBAIP-SCZZXKLOSA-N 1 0 207.277 1.039 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]12 ZINC000309405456 386008183 /nfs/dbraw/zinc/00/81/83/386008183.db2.gz VWBOUHQPOBLXMQ-FDYHWXHSSA-N 1 0 224.348 1.225 10 0 BDAERO C[C@H]1CSC[C@]1([NH3+])Cc1cnsn1 ZINC000575561605 386024183 /nfs/dbraw/zinc/02/41/83/386024183.db2.gz QLUWWSYVOHTSPU-POYBYMJQSA-N 1 0 215.347 1.161 10 0 BDAERO CC(C)(CO)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000037888293 386102923 /nfs/dbraw/zinc/10/29/23/386102923.db2.gz PVIDOLSHTQVVFL-ZJUUUORDSA-N 1 0 201.310 1.041 10 0 BDAERO CC(C)(C)c1cc(N2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000129680800 386097060 /nfs/dbraw/zinc/09/70/60/386097060.db2.gz AJAJZFWYEJJOGP-VIFPVBQESA-N 1 0 222.336 1.635 10 0 BDAERO C[C@@H]1C[C@@]([NH3+])(Cc2ccns2)CS1 ZINC000575573064 386153484 /nfs/dbraw/zinc/15/34/84/386153484.db2.gz SGLMFPZWGYDCSD-VXNVDRBHSA-N 1 0 214.359 1.909 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000284059011 386161570 /nfs/dbraw/zinc/16/15/70/386161570.db2.gz NYAUEWNSPYTZGH-GXSJLCMTSA-N 1 0 209.293 1.375 10 0 BDAERO CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)C(C)(C)C ZINC000336729543 386124566 /nfs/dbraw/zinc/12/45/66/386124566.db2.gz HSTJEERMKIKPGD-AAEUAGOBSA-N 1 0 228.380 1.467 10 0 BDAERO C[NH2+][C@](C)(CO)c1cc(F)ccc1F ZINC000038121056 386125268 /nfs/dbraw/zinc/12/52/68/386125268.db2.gz PRQMNWXHSMPYSJ-SNVBAGLBSA-N 1 0 201.216 1.392 10 0 BDAERO [NH3+][C@@H]1CO[C@@H](c2ccncc2Br)C1 ZINC000575579709 386225137 /nfs/dbraw/zinc/22/51/37/386225137.db2.gz MEVOCAZHOOIYRQ-IMTBSYHQSA-N 1 0 243.104 1.633 10 0 BDAERO C[C@]12C[NH2+]C[C@]1(C)CN(C(=O)C(F)(F)F)C2 ZINC000575582262 386247618 /nfs/dbraw/zinc/24/76/18/386247618.db2.gz DFGMNSKDLXYCKC-RKDXNWHRSA-N 1 0 236.237 1.007 10 0 BDAERO C[C@@H](C[NH3+])Nc1ccc(O)cc1Cl ZINC000575586326 386283547 /nfs/dbraw/zinc/28/35/47/386283547.db2.gz XQZBTTIFCJFSMG-LURJTMIESA-N 1 0 200.669 1.805 10 0 BDAERO C[C@H](N[C@@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000335261179 386320469 /nfs/dbraw/zinc/32/04/69/386320469.db2.gz TUCZUWYQMVZGTP-GXFFZTMASA-N 1 0 232.327 1.708 10 0 BDAERO Cc1noc(CCC[N@@H+]2CC[C@H](CCO)C2)n1 ZINC000336686002 386344334 /nfs/dbraw/zinc/34/43/34/386344334.db2.gz FUOKJXNXUNJMMW-LLVKDONJSA-N 1 0 239.319 1.015 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000336732167 386374914 /nfs/dbraw/zinc/37/49/14/386374914.db2.gz JFIPNFITSBVOAA-AGIUHOORSA-N 1 0 227.348 1.696 10 0 BDAERO C[C@@H]1C[C@@H](C)N(C(=O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000306873289 386328444 /nfs/dbraw/zinc/32/84/44/386328444.db2.gz XCCUCGHHVRPRNX-BWZBUEFSSA-N 1 0 238.253 1.381 10 0 BDAERO COC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)C1CC1 ZINC000164818968 386329231 /nfs/dbraw/zinc/32/92/31/386329231.db2.gz GNMBYOBHDFVLSE-GHMZBOCLSA-N 1 0 236.319 1.128 10 0 BDAERO C[N@H+](C[C@@H](O)C(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000336721313 386453034 /nfs/dbraw/zinc/45/30/34/386453034.db2.gz XRKZAEXRZSVLCL-CHWSQXEVSA-N 1 0 242.407 1.667 10 0 BDAERO [NH3+][C@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000521399580 386434486 /nfs/dbraw/zinc/43/44/86/386434486.db2.gz AAMBEWXHCMJKOP-IONNQARKSA-N 1 0 217.190 1.880 10 0 BDAERO CCOCCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399267247 386472936 /nfs/dbraw/zinc/47/29/36/386472936.db2.gz SEQWQZJGAPJBJF-GHMZBOCLSA-N 1 0 201.310 1.258 10 0 BDAERO Cc1ccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)o1 ZINC000399342953 386517846 /nfs/dbraw/zinc/51/78/46/386517846.db2.gz UNMZDHMZQDUROJ-ONGXEEELSA-N 1 0 209.289 1.933 10 0 BDAERO COC[C@@]1(C(=O)N[C@H](C)C2CC2)CCCC[NH2+]1 ZINC000637892747 386522423 /nfs/dbraw/zinc/52/24/23/386522423.db2.gz LXXDXJVRBNEQIG-ZWNOBZJWSA-N 1 0 240.347 1.060 10 0 BDAERO Cc1ccc([C@]2(O)C[N@@H+](C)C[C@H]2C)cc1 ZINC000521401437 386457046 /nfs/dbraw/zinc/45/70/46/386457046.db2.gz HKXFGXPZJDCKIZ-YPMHNXCESA-N 1 0 205.301 1.764 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000336781317 386584401 /nfs/dbraw/zinc/58/44/01/386584401.db2.gz UIQKQMOBINTSOR-SDDRHHMPSA-N 1 0 222.332 1.599 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000336781316 386584447 /nfs/dbraw/zinc/58/44/47/386584447.db2.gz UIQKQMOBINTSOR-QJPTWQEYSA-N 1 0 222.332 1.599 10 0 BDAERO FCCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000308529894 386544317 /nfs/dbraw/zinc/54/43/17/386544317.db2.gz QHSKNHVGKFJCKD-NSHDSACASA-N 1 0 200.301 1.516 10 0 BDAERO COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]CCO ZINC000336758170 386627213 /nfs/dbraw/zinc/62/72/13/386627213.db2.gz IEGXNSIUNZSVLJ-QWRGUYRKSA-N 1 0 229.320 1.080 10 0 BDAERO Cc1cccc(OCC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000335500120 386628714 /nfs/dbraw/zinc/62/87/14/386628714.db2.gz MFRXYXOCYQIEBO-WCQYABFASA-N 1 0 248.326 1.322 10 0 BDAERO CC[C@]1(C(=O)N[C@H](C)C2CC2)CC[NH2+]C1 ZINC000062890708 386632546 /nfs/dbraw/zinc/63/25/46/386632546.db2.gz ANYQYCFIGNGEMK-SKDRFNHKSA-N 1 0 210.321 1.291 10 0 BDAERO Cc1nc(CN[C@H](C)[C@@H]2CC[NH2+]C2)sc1C ZINC000415082511 386599805 /nfs/dbraw/zinc/59/98/05/386599805.db2.gz OMHULAOSKHUOSW-MWLCHTKSSA-N 1 0 239.388 1.848 10 0 BDAERO CC(=O)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000245612929 386599943 /nfs/dbraw/zinc/59/99/43/386599943.db2.gz LWJFYYPTJPKGRG-ZDUSSCGKSA-N 1 0 245.326 1.569 10 0 BDAERO C[C@H](C[N@H+](C)[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000320661691 386672603 /nfs/dbraw/zinc/67/26/03/386672603.db2.gz LRWBCVRNLUEIGE-GHMZBOCLSA-N 1 0 243.347 1.685 10 0 BDAERO CC1CCC([C@H]([NH3+])CC2OCCO2)CC1 ZINC000232835428 386676866 /nfs/dbraw/zinc/67/68/66/386676866.db2.gz SFXCZTUAYMYZRQ-VQXHTEKXSA-N 1 0 213.321 1.903 10 0 BDAERO CC[C@H]([NH2+]CC(=O)NC1CC1)[C@H]1C[C@@H]1C ZINC000321109870 386688287 /nfs/dbraw/zinc/68/82/87/386688287.db2.gz QITDVDZMPOOOBO-LSJOCFKGSA-N 1 0 210.321 1.289 10 0 BDAERO CC[C@H]([NH2+]CC(=O)NC1CC1)[C@H]1C[C@H]1C ZINC000321109871 386688964 /nfs/dbraw/zinc/68/89/64/386688964.db2.gz QITDVDZMPOOOBO-MIMYLULJSA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000307596134 386748856 /nfs/dbraw/zinc/74/88/56/386748856.db2.gz LPNZGAMQYOJTNE-YTWAJWBKSA-N 1 0 215.362 1.631 10 0 BDAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336761005 386749148 /nfs/dbraw/zinc/74/91/48/386749148.db2.gz MSIXAFOGBFAUMI-GARJFASQSA-N 1 0 212.337 1.678 10 0 BDAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccccn1 ZINC000396584863 386778963 /nfs/dbraw/zinc/77/89/63/386778963.db2.gz QSPPUQGHUUGJJR-GVXVVHGQSA-N 1 0 219.332 1.873 10 0 BDAERO CC[N@H+](CCC(=O)OC)C[C@H](O)C(C)(C)C ZINC000336669993 386805183 /nfs/dbraw/zinc/80/51/83/386805183.db2.gz XKHANWYGZYWIQK-JTQLQIEISA-N 1 0 231.336 1.278 10 0 BDAERO CC(C)C[C@H](C)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336671874 386814724 /nfs/dbraw/zinc/81/47/24/386814724.db2.gz NUPHKRBXNALNAH-TUAOUCFPSA-N 1 0 226.364 1.925 10 0 BDAERO C/C(=C/Br)C[C@@H]1COCC[NH2+]1 ZINC000575454232 386833681 /nfs/dbraw/zinc/83/36/81/386833681.db2.gz PKCRJAFTWBHKMG-GRKOMRHMSA-N 1 0 220.110 1.664 10 0 BDAERO C/C(=C/c1cc(Br)nn1C)[C@@H](C)[NH3+] ZINC000575454117 386841372 /nfs/dbraw/zinc/84/13/72/386841372.db2.gz OSJHZKYWTCJGNE-FXXDRWHHSA-N 1 0 244.136 1.933 10 0 BDAERO CS[C@@H]1CC[C@H]1[NH2+]CCn1cc(C)cn1 ZINC000425340755 386841652 /nfs/dbraw/zinc/84/16/52/386841652.db2.gz FHYZZWUQMKPNKF-GHMZBOCLSA-N 1 0 225.361 1.675 10 0 BDAERO c1cn([C@H]2CC[N@@H+](Cc3ccccn3)C2)nn1 ZINC000585380464 386852526 /nfs/dbraw/zinc/85/25/26/386852526.db2.gz YCAHWUUFXBAHMW-LBPRGKRZSA-N 1 0 229.287 1.120 10 0 BDAERO CC(C)COCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398708256 386957794 /nfs/dbraw/zinc/95/77/94/386957794.db2.gz NWWLRGSTTSVICC-MELADBBJSA-N 1 0 241.375 1.752 10 0 BDAERO CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000399478101 386963072 /nfs/dbraw/zinc/96/30/72/386963072.db2.gz DHBNLYIIICUZFU-IRCOFANPSA-N 1 0 224.348 1.489 10 0 BDAERO COC(=O)CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398723742 386969320 /nfs/dbraw/zinc/96/93/20/386969320.db2.gz SUQKVBCULAWFLF-SRVKXCTJSA-N 1 0 241.331 1.032 10 0 BDAERO OCCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398725665 386969344 /nfs/dbraw/zinc/96/93/44/386969344.db2.gz JNFQXWLCEWUNHP-RWMBFGLXSA-N 1 0 227.348 1.242 10 0 BDAERO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398733797 386975362 /nfs/dbraw/zinc/97/53/62/386975362.db2.gz WLRRUEYDUDVBRK-NNYUYHANSA-N 1 0 241.331 1.031 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]2C1 ZINC000398790456 386994348 /nfs/dbraw/zinc/99/43/48/386994348.db2.gz NHHUBRYYKJYORL-QJPTWQEYSA-N 1 0 233.315 1.069 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648099576 386996174 /nfs/dbraw/zinc/99/61/74/386996174.db2.gz KZXNKZANOVBMGI-UTLUCORTSA-N 1 0 246.301 1.536 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CN(C)C ZINC000336745701 386998632 /nfs/dbraw/zinc/99/86/32/386998632.db2.gz VXAIFECSCHPYJQ-JHJVBQTASA-N 1 0 228.380 1.467 10 0 BDAERO Cn1cncc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398820040 387000213 /nfs/dbraw/zinc/00/02/13/387000213.db2.gz YNOZCHCZOULVFM-GVXVVHGQSA-N 1 0 235.331 1.013 10 0 BDAERO CC[C@H]([NH2+]CC(=O)NCC1CC1)C(C)(C)C ZINC000336745624 387002065 /nfs/dbraw/zinc/00/20/65/387002065.db2.gz VQXQWHWSFQAOLK-NSHDSACASA-N 1 0 226.364 1.927 10 0 BDAERO C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000648101671 387002910 /nfs/dbraw/zinc/00/29/10/387002910.db2.gz QSZJFTOTUKGVGD-USZNOCQGSA-N 1 0 224.348 1.761 10 0 BDAERO CC1(C)CC(=O)Nc2ccc([C@H](O)C[NH3+])cc21 ZINC000575421727 387031625 /nfs/dbraw/zinc/03/16/25/387031625.db2.gz CZAQXDQAXJSQLX-LLVKDONJSA-N 1 0 234.299 1.299 10 0 BDAERO [NH3+][C@]1(Cc2ccns2)CCCSC1 ZINC000575459606 387035647 /nfs/dbraw/zinc/03/56/47/387035647.db2.gz MSKCTYRYKAZIAN-VIFPVBQESA-N 1 0 214.359 1.910 10 0 BDAERO CC1CN([C@]2(C[NH3+])CCS[C@H]2C)C1 ZINC000575462954 387042404 /nfs/dbraw/zinc/04/24/04/387042404.db2.gz QMQWYOOWRFRSIG-UWVGGRQHSA-N 1 0 200.351 1.161 10 0 BDAERO Cc1cccc(C)c1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000334966939 387049526 /nfs/dbraw/zinc/04/95/26/387049526.db2.gz INTBQUJGPPYAEH-LSDHHAIUSA-N 1 0 246.354 1.476 10 0 BDAERO CC[C@H]1CN(C(=O)C(C)C)CC[N@@H+]1CCOC ZINC000117303658 387017889 /nfs/dbraw/zinc/01/78/89/387017889.db2.gz ACNSRMBRYDOUBP-LBPRGKRZSA-N 1 0 242.363 1.212 10 0 BDAERO Cc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)[nH]n1 ZINC000186500211 387100728 /nfs/dbraw/zinc/10/07/28/387100728.db2.gz LVBMTXOHGADSMV-JTQLQIEISA-N 1 0 248.330 1.075 10 0 BDAERO [NH3+]C1(Cc2ccncc2Br)COC1 ZINC000575472307 387101327 /nfs/dbraw/zinc/10/13/27/387101327.db2.gz NRZASBNHFHHBIE-UHFFFAOYSA-N 1 0 243.104 1.114 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336268219 387101515 /nfs/dbraw/zinc/10/15/15/387101515.db2.gz PNLMLLRGHTUORO-CHWSQXEVSA-N 1 0 248.374 1.648 10 0 BDAERO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C)[C@H]1C ZINC000336766756 387107427 /nfs/dbraw/zinc/10/74/27/387107427.db2.gz PGVTYLYCDIVWST-WTPMCQDGSA-N 1 0 225.332 1.962 10 0 BDAERO [NH3+][C@@H]1COC[C@H]1Cc1coc(Br)c1 ZINC000575471801 387108263 /nfs/dbraw/zinc/10/82/63/387108263.db2.gz FZQVTGXGHPJRJJ-HTQZYQBOSA-N 1 0 246.104 1.558 10 0 BDAERO Nc1nn(-c2cc[nH+]cc2)cc1Br ZINC000040517052 387125243 /nfs/dbraw/zinc/12/52/43/387125243.db2.gz XZPWKWYUIKCIRH-UHFFFAOYSA-N 1 0 239.076 1.612 10 0 BDAERO COC(=O)[C@H](C1CC1)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000359585093 387128406 /nfs/dbraw/zinc/12/84/06/387128406.db2.gz BDZCEVHCQMFHPT-AXFHLTTASA-N 1 0 209.289 1.422 10 0 BDAERO [NH3+][C@@H](CCF)c1cccc2c1OCCO2 ZINC000575438477 387129177 /nfs/dbraw/zinc/12/91/77/387129177.db2.gz LBECTUXMBXQLHQ-VIFPVBQESA-N 1 0 211.236 1.817 10 0 BDAERO O[C@H](C[NH2+]CC1CC(O)C1)CC1CCCC1 ZINC000232132912 387141685 /nfs/dbraw/zinc/14/16/85/387141685.db2.gz UTCAXFFDFRPCIH-BPCQOVAHSA-N 1 0 227.348 1.288 10 0 BDAERO CC[C@H](C)N(C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057870368 387144822 /nfs/dbraw/zinc/14/48/22/387144822.db2.gz XMYJYTADCLFMPL-RYUDHWBXSA-N 1 0 241.379 1.911 10 0 BDAERO CCN(CC)c1nc2c(s1)C[NH2+]CC2 ZINC000085955722 387154710 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387196114 /nfs/dbraw/zinc/19/61/14/387196114.db2.gz GNXSUPVZLJCDAJ-STQMWFEESA-N 1 0 224.348 1.405 10 0 BDAERO CC[C@H]([NH2+][C@@H](C)c1ccc(=O)[nH]n1)C(C)C ZINC000286159811 387317129 /nfs/dbraw/zinc/31/71/29/387317129.db2.gz PUCILPBAIOPFNX-UWVGGRQHSA-N 1 0 223.320 1.855 10 0 BDAERO CC[C@](C)([NH2+]C[C@H]1Cc2ccccc2O1)C(N)=O ZINC000301599062 387262604 /nfs/dbraw/zinc/26/26/04/387262604.db2.gz AHCJIILVWUXRGZ-RISCZKNCSA-N 1 0 248.326 1.234 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(=O)[nH]n1 ZINC000285797982 387277771 /nfs/dbraw/zinc/27/77/71/387277771.db2.gz VCZUICMVDYVEKO-JGVFFNPUSA-N 1 0 207.277 1.219 10 0 BDAERO CCC[C@H](C(=O)NCCCSC)[NH+](C)C ZINC000161893836 387280831 /nfs/dbraw/zinc/28/08/31/387280831.db2.gz FNZUZWNEUHSSMX-SNVBAGLBSA-N 1 0 232.393 1.586 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC1CCOCC1 ZINC000392887492 387297399 /nfs/dbraw/zinc/29/73/99/387297399.db2.gz LSYOIQPSLBKPMH-CMPLNLGQSA-N 1 0 240.347 1.060 10 0 BDAERO CCO[C@H]1C[C@@H]([N@H+](C)CC(N)=O)C12CCCC2 ZINC000121156238 387303790 /nfs/dbraw/zinc/30/37/90/387303790.db2.gz VZNJVFJXLUUFMB-MNOVXSKESA-N 1 0 240.347 1.141 10 0 BDAERO FC(F)Oc1cnc(O[C@H]2CCC[NH2+]C2)nc1 ZINC000575601558 387360167 /nfs/dbraw/zinc/36/01/67/387360167.db2.gz IMJJMLSJMXGIOM-ZETCQYMHSA-N 1 0 245.229 1.209 10 0 BDAERO C[C@@H]1[NH2+]CCc2c1ncn2-c1ccc(F)cn1 ZINC000575601358 387361942 /nfs/dbraw/zinc/36/19/42/387361942.db2.gz AXDVYIFGBRKVII-QMMMGPOBSA-N 1 0 232.262 1.613 10 0 BDAERO Cc1csc(C[NH2+][C@H]2CC[C@@H](O)C2)n1 ZINC000306246918 387365072 /nfs/dbraw/zinc/36/50/72/387365072.db2.gz VTWMGBWAJBICQI-DTWKUNHWSA-N 1 0 212.318 1.455 10 0 BDAERO C[C@H]1C[NH2+]C[C@](F)(c2cncs2)C1 ZINC000575518350 387435905 /nfs/dbraw/zinc/43/59/05/387435905.db2.gz NMLPFKSCAWUKMW-APPZFPTMSA-N 1 0 200.282 1.937 10 0 BDAERO C[N@H+](CCC(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1O ZINC000352673220 387441495 /nfs/dbraw/zinc/44/14/95/387441495.db2.gz NCOKVDYJYKTDLR-QWRGUYRKSA-N 1 0 243.347 1.563 10 0 BDAERO CCOc1cc(C[NH3+])c(OCC)c(OC)c1 ZINC000575721282 387442598 /nfs/dbraw/zinc/44/25/98/387442598.db2.gz IEPGBUIIAMXAMF-UHFFFAOYSA-N 1 0 225.288 1.951 10 0 BDAERO C[N@H+](CCOC(C)(C)C)[C@H]1CCC[C@H]1O ZINC000352699038 387443570 /nfs/dbraw/zinc/44/35/70/387443570.db2.gz OCJSBYCUCFTWPJ-WDEREUQCSA-N 1 0 215.337 1.647 10 0 BDAERO N[C@@H]1CC[N@@H+]([C@H]2CCCSCC2)C1 ZINC000575513257 387386146 /nfs/dbraw/zinc/38/61/46/387386146.db2.gz HMCOSQFOOUKMLN-ZJUUUORDSA-N 1 0 200.351 1.305 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@](=O)C[C@@H](C)C[NH2+]1 ZINC000306569288 387398160 /nfs/dbraw/zinc/39/81/60/387398160.db2.gz WGOIKMCCJRZVSB-PKFCDNJMSA-N 1 0 217.378 1.779 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000396916399 387516148 /nfs/dbraw/zinc/51/61/48/387516148.db2.gz PNQGOUPFDSJTNF-NSHDSACASA-N 1 0 223.320 1.349 10 0 BDAERO CCSCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000122385666 387517272 /nfs/dbraw/zinc/51/72/72/387517272.db2.gz SGLYITLOFYDCLQ-UWVGGRQHSA-N 1 0 203.351 1.849 10 0 BDAERO CN(Cc1ccccc1)[C@H]1CCC[C@@H]1[NH3+] ZINC000035243954 387520318 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387567640 /nfs/dbraw/zinc/56/76/40/387567640.db2.gz APFJJAVMPGDBAZ-LLVKDONJSA-N 1 0 215.337 1.363 10 0 BDAERO CC[C@]1(C)CN(C2CSC2)CC[NH2+]1 ZINC000575548376 387646441 /nfs/dbraw/zinc/64/64/41/387646441.db2.gz DKTCOTYNXVQCSS-SNVBAGLBSA-N 1 0 200.351 1.176 10 0 BDAERO [NH3+][C@@]1(c2ccns2)CCCSC1 ZINC000575553954 387658570 /nfs/dbraw/zinc/65/85/70/387658570.db2.gz BWKMUNXCMKEZOD-QMMMGPOBSA-N 1 0 200.332 1.824 10 0 BDAERO C[C@@H]1[C@H]([NH3+])C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447734 387691992 /nfs/dbraw/zinc/69/19/92/387691992.db2.gz OZBPPLSPNITORM-BREBYQMCSA-N 1 0 240.347 1.981 10 0 BDAERO C[C@H]1C[C@]([NH3+])(c2cncs2)CS1 ZINC000575573895 387750136 /nfs/dbraw/zinc/75/01/36/387750136.db2.gz ZTSMZZKUKJOGOW-POYBYMJQSA-N 1 0 200.332 1.823 10 0 BDAERO C[C@@H]1CSC[C@@]1([NH3+])Cc1cncs1 ZINC000575562431 387704767 /nfs/dbraw/zinc/70/47/67/387704767.db2.gz ZPOURHVNHXDYKY-APPZFPTMSA-N 1 0 214.359 1.766 10 0 BDAERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127119951 387707381 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388409857 /nfs/dbraw/zinc/40/98/57/388409857.db2.gz NLHQBMFSNSRKCQ-RKDXNWHRSA-N 1 0 220.320 1.503 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H](O)C2CCC2)[C@H]2CCO[C@H]21 ZINC000316431332 388412786 /nfs/dbraw/zinc/41/27/86/388412786.db2.gz OPHBYWOVOJWTJE-YVECIDJPSA-N 1 0 239.359 1.551 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000296218295 388418102 /nfs/dbraw/zinc/41/81/02/388418102.db2.gz MRRJAXHNBSGICP-XBFCOCLRSA-N 1 0 235.327 1.565 10 0 BDAERO [NH3+]CC[S@@](=O)c1ccc(F)cc1F ZINC000040954864 388429978 /nfs/dbraw/zinc/42/99/78/388429978.db2.gz NNVOZNQLGZHCAI-ZDUSSCGKSA-N 1 0 205.229 1.031 10 0 BDAERO C[NH2+][C@@H]1CC[S@](=O)c2c(F)cccc21 ZINC000040976347 388430005 /nfs/dbraw/zinc/43/00/05/388430005.db2.gz PZHHNGUHASSHMK-YMTOWFKASA-N 1 0 213.277 1.598 10 0 BDAERO CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000393481035 388431095 /nfs/dbraw/zinc/43/10/95/388431095.db2.gz VBECSFHULZNLKD-NEPJUHHUSA-N 1 0 228.380 1.515 10 0 BDAERO C[C@@H]1Oc2ccccc2C=C1[C@@H](C[NH3+])N(C)C ZINC000041166616 388431672 /nfs/dbraw/zinc/43/16/72/388431672.db2.gz NEQZSYHZFHWQLS-GXFFZTMASA-N 1 0 232.327 1.740 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1ccccn1 ZINC000298028287 388434334 /nfs/dbraw/zinc/43/43/34/388434334.db2.gz BWIYUMKEWFPSKM-YPMHNXCESA-N 1 0 220.316 1.469 10 0 BDAERO Cc1cc(C(=O)N(CC[NH3+])C2CC2)c(C)o1 ZINC000041056719 177744775 /nfs/dbraw/zinc/74/47/75/177744775.db2.gz UFQRXXLVMUSKHT-UHFFFAOYSA-N 1 0 222.288 1.460 10 0 BDAERO COCCC1CC[NH+](CC2(O)CCC2)CC1 ZINC000528576220 388548306 /nfs/dbraw/zinc/54/83/06/388548306.db2.gz KMSIAKVZWBOEEL-UHFFFAOYSA-N 1 0 227.348 1.650 10 0 BDAERO CC(C)C1([NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC000339514560 388484988 /nfs/dbraw/zinc/48/49/88/388484988.db2.gz CBRRFWZSOGINHB-VIFPVBQESA-N 1 0 210.321 1.432 10 0 BDAERO COC[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000034937694 388492995 /nfs/dbraw/zinc/49/29/95/388492995.db2.gz QDMLDTCDZQOVQT-NEPJUHHUSA-N 1 0 242.363 1.402 10 0 BDAERO CCC[C@H](CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C)OC 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388731739 /nfs/dbraw/zinc/73/17/39/388731739.db2.gz MEPANXSPJHZQHB-XPUUQOCRSA-N 1 0 200.332 1.376 10 0 BDAERO [NH3+]C1(Cc2ccc(Br)o2)COC1 ZINC000575460726 388809392 /nfs/dbraw/zinc/80/93/92/388809392.db2.gz PSKQTAYUFCRTLM-UHFFFAOYSA-N 1 0 232.077 1.312 10 0 BDAERO NC(=S)[C@H]1CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000575454383 388760799 /nfs/dbraw/zinc/76/07/99/388760799.db2.gz QQASTYGGPKKRSR-JGVFFNPUSA-N 1 0 216.375 1.100 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000228798499 388774912 /nfs/dbraw/zinc/77/49/12/388774912.db2.gz VSSYSVNKELBSKU-NWDGAFQWSA-N 1 0 215.337 1.504 10 0 BDAERO C[C@H]1CC[C@H](N)C[N@@H+]1C[Si](C)(C)C ZINC000575455490 388775577 /nfs/dbraw/zinc/77/55/77/388775577.db2.gz JPQCVHFKDRISPQ-UWVGGRQHSA-N 1 0 200.402 1.675 10 0 BDAERO CC1(C)OCC[C@]1([NH3+])[C@@H]1CCSC1 ZINC000575464323 388830775 /nfs/dbraw/zinc/83/07/75/388830775.db2.gz JZVYAYCENCMVBN-SCZZXKLOSA-N 1 0 201.335 1.636 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)CCSC)C1 ZINC000194650646 388860118 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/nfs/dbraw/zinc/30/83/32/132308332.db2.gz AVIHRIHWKBFPNU-LLVKDONJSA-N 1 0 218.304 1.151 10 0 BDAERO C[C@@H]1Oc2ccccc2N(CCC[NH3+])C1=O ZINC000011568786 132319760 /nfs/dbraw/zinc/31/97/60/132319760.db2.gz SYLUTXGCFUSPON-VIFPVBQESA-N 1 0 220.272 1.149 10 0 BDAERO Fc1ccc(N2CC[NH2+]CC2)c(F)c1F ZINC000011632572 132319986 /nfs/dbraw/zinc/31/99/86/132319986.db2.gz MCZSSFXBWKSNLJ-UHFFFAOYSA-N 1 0 216.206 1.514 10 0 BDAERO C[C@@H]1CCCN(c2ncccc2C(N)=[NH2+])C1 ZINC000019425850 132324908 /nfs/dbraw/zinc/32/49/08/132324908.db2.gz GYFAIOUKIYJXJQ-SECBINFHSA-N 1 0 218.304 1.602 10 0 BDAERO C[C@H]([NH3+])c1c(F)cccc1N1CCC(O)CC1 ZINC000019872575 132328412 /nfs/dbraw/zinc/32/84/12/132328412.db2.gz POSSBUNEODPQTG-VIFPVBQESA-N 1 0 238.306 1.807 10 0 BDAERO c1cc2nsnc2c(N2CC[NH2+]CC2)c1 ZINC000034546458 132336710 /nfs/dbraw/zinc/33/67/10/132336710.db2.gz JZJFRQGXFVVZPK-UHFFFAOYSA-N 1 0 220.301 1.101 10 0 BDAERO CC[C@@H]1CN(c2ccccc2C(N)=[NH2+])CCO1 ZINC000036769922 132342486 /nfs/dbraw/zinc/34/24/86/132342486.db2.gz LDWOAIQEVCNDCI-SNVBAGLBSA-N 1 0 233.315 1.586 10 0 BDAERO Nc1cccnc1N1CC[NH+](CC2CC2)CC1 ZINC000036765457 132342543 /nfs/dbraw/zinc/34/25/43/132342543.db2.gz VKPZMXGSCNHIJD-UHFFFAOYSA-N 1 0 232.331 1.196 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1c1ncccc1C[NH3+] ZINC000036794460 132342804 /nfs/dbraw/zinc/34/28/04/132342804.db2.gz UVRMWYVAWQAXOZ-ZYHUDNBSSA-N 1 0 235.331 1.544 10 0 BDAERO [NH3+]Cc1cc(F)ccc1N1CCC(O)CC1 ZINC000037236363 132343855 /nfs/dbraw/zinc/34/38/55/132343855.db2.gz YDJYHBQLMYZBLL-UHFFFAOYSA-N 1 0 224.279 1.246 10 0 BDAERO C[C@H]([NH3+])C(=O)N1c2ccccc2CC[C@@H]1C ZINC000040456434 132347837 /nfs/dbraw/zinc/34/78/37/132347837.db2.gz JEXNWNRJITXILC-UWVGGRQHSA-N 1 0 218.300 1.702 10 0 BDAERO Cc1cccc2c1N(C(=O)[C@@H](C)[NH3+])CCC2 ZINC000040856226 132348481 /nfs/dbraw/zinc/34/84/81/132348481.db2.gz PPVSVHGTENUDKF-SNVBAGLBSA-N 1 0 218.300 1.621 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1c2ccccc2CC[C@H]1C ZINC000042237600 132350935 /nfs/dbraw/zinc/35/09/35/132350935.db2.gz JEXNWNRJITXILC-NXEZZACHSA-N 1 0 218.300 1.702 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CCC[C@H](O)C1 ZINC000042468816 132352365 /nfs/dbraw/zinc/35/23/65/132352365.db2.gz FCBXBAFMEUGTER-MNOVXSKESA-N 1 0 220.316 1.667 10 0 BDAERO C[NH2+][C@@H](C)CN1c2ccccc2OCC1=O ZINC000043996992 132353740 /nfs/dbraw/zinc/35/37/40/132353740.db2.gz XCSYLEUCDJQVEY-VIFPVBQESA-N 1 0 220.272 1.020 10 0 BDAERO CCc1cc(N2CCCC[C@H]2C[NH3+])ncn1 ZINC000044559830 132354492 /nfs/dbraw/zinc/35/44/92/132354492.db2.gz DDAZKRDBGJCGPX-NSHDSACASA-N 1 0 220.320 1.357 10 0 BDAERO c1nc2c(cccc2N2CC[NH2+]CC2)s1 ZINC000045236960 132354846 /nfs/dbraw/zinc/35/48/46/132354846.db2.gz SBFDRFAVCUTPAM-UHFFFAOYSA-N 1 0 219.313 1.706 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cccnc2)C[C@@H]1C ZINC000049694146 132356669 /nfs/dbraw/zinc/35/66/69/132356669.db2.gz JHGCLHZUOCEGGU-WCQYABFASA-N 1 0 219.332 1.906 10 0 BDAERO [NH3+]CCN1C(=O)COc2ccc(Cl)cc21 ZINC000050442774 132358923 /nfs/dbraw/zinc/35/89/23/132358923.db2.gz GIRIDZAQBNZBAE-UHFFFAOYSA-N 1 0 226.663 1.024 10 0 BDAERO Nc1cccc(Cl)c1N1CC[NH2+]CC1 ZINC000050607349 132359351 /nfs/dbraw/zinc/35/93/51/132359351.db2.gz SLEXHJLEPNVDRQ-UHFFFAOYSA-N 1 0 211.696 1.332 10 0 BDAERO Cc1cccnc1N1CCCC[C@@H]1C[NH3+] ZINC000051041287 132359717 /nfs/dbraw/zinc/35/97/17/132359717.db2.gz VSGOVOJCQCJWJM-LLVKDONJSA-N 1 0 205.305 1.708 10 0 BDAERO Cc1cccnc1N1CCN(C[C@H](C)C[NH3+])CC1 ZINC000051040740 132359785 /nfs/dbraw/zinc/35/97/85/132359785.db2.gz MXRATCOJXVTNMF-GFCCVEGCSA-N 1 0 248.374 1.107 10 0 BDAERO Cc1cccnc1N1CCC(C[NH3+])CC1 ZINC000051041284 132359804 /nfs/dbraw/zinc/35/98/04/132359804.db2.gz BIWCSPGQGNJUEN-UHFFFAOYSA-N 1 0 205.305 1.565 10 0 BDAERO C[C@H]1CN(c2ccnc(C[NH3+])c2)CC(C)(C)O1 ZINC000051397720 132360307 /nfs/dbraw/zinc/36/03/07/132360307.db2.gz ORXWGOCMBDSDQZ-JTQLQIEISA-N 1 0 235.331 1.544 10 0 BDAERO C[C@@H]1COCCN1c1ccnc(C[NH2+]C2CC2)c1 ZINC000051444071 132361044 /nfs/dbraw/zinc/36/10/44/132361044.db2.gz RLMNYJWDSWWYMK-LLVKDONJSA-N 1 0 247.342 1.559 10 0 BDAERO C[C@@H]1C[C@@H](C)CCN1c1ccc(C(N)=[NH2+])cn1 ZINC000051732414 132361794 /nfs/dbraw/zinc/36/17/94/132361794.db2.gz RGEOMIFEYARWCD-VHSXEESVSA-N 1 0 232.331 1.990 10 0 BDAERO CC[C@H](C[NH2+]C)N1CCN(c2ccccn2)CC1 ZINC000052418556 132362139 /nfs/dbraw/zinc/36/21/39/132362139.db2.gz JXAVQERMMYCZFB-CYBMUJFWSA-N 1 0 248.374 1.202 10 0 BDAERO C[NH2+][C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000052395760 132362173 /nfs/dbraw/zinc/36/21/73/132362173.db2.gz HKFCHGZYAPKIHV-VIFPVBQESA-N 1 0 236.340 1.733 10 0 BDAERO CCC[NH+]1CCN(c2ncc(N)cc2C)CC1 ZINC000052812185 132362422 /nfs/dbraw/zinc/36/24/22/132362422.db2.gz XRKOKUBIYZPJJH-UHFFFAOYSA-N 1 0 234.347 1.504 10 0 BDAERO Cc1cc(N)cnc1N1CC[NH+](CC2CC2)CC1 ZINC000052813065 132362520 /nfs/dbraw/zinc/36/25/20/132362520.db2.gz KYOFYCVSMHOPAP-UHFFFAOYSA-N 1 0 246.358 1.504 10 0 BDAERO c1cnc(N2CCCC[C@H]2C[NH2+]C2CC2)nc1 ZINC000053699766 132363222 /nfs/dbraw/zinc/36/32/22/132363222.db2.gz DGBLWKDVTPXDST-LBPRGKRZSA-N 1 0 232.331 1.588 10 0 BDAERO Cc1ccc(N2C[C@H](C)[NH2+][C@@H](C)C2)nc1 ZINC000053711469 132363312 /nfs/dbraw/zinc/36/33/12/132363312.db2.gz DOBMMOKWKQCOOX-QWRGUYRKSA-N 1 0 205.305 1.577 10 0 BDAERO C[C@H]1CN(c2cncc(F)c2)C[C@H](C)[NH2+]1 ZINC000053712550 132363600 /nfs/dbraw/zinc/36/36/00/132363600.db2.gz CFCIVFKFWLQVDC-IUCAKERBSA-N 1 0 209.268 1.407 10 0 BDAERO c1c(C2CC2)nc(N2CC[NH2+]CC2)nc1C1CC1 ZINC000071398130 132392396 /nfs/dbraw/zinc/39/23/96/132392396.db2.gz XBJLMHCFHFNGIX-UHFFFAOYSA-N 1 0 244.342 1.641 10 0 BDAERO CN1C[C@@H](C[NH3+])Oc2ccc(Cl)cc21 ZINC000071482872 132392919 /nfs/dbraw/zinc/39/29/19/132392919.db2.gz JQACGZCOWZBRQV-MRVPVSSYSA-N 1 0 212.680 1.496 10 0 BDAERO C[C@H]1CN(c2ccc(N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000071537774 132393920 /nfs/dbraw/zinc/39/39/20/132393920.db2.gz JYACNAKXUKLVEY-RYUDHWBXSA-N 1 0 233.359 1.939 10 0 BDAERO CC(C)[C@@H]1CN(c2cncnc2)[C@H](C(C)C)C[NH2+]1 ZINC000083379650 132425544 /nfs/dbraw/zinc/42/55/44/132425544.db2.gz IGXXFMYVISUULN-KBPBESRZSA-N 1 0 248.374 1.935 10 0 BDAERO C[C@@H]1CN(c2ccc(F)cc2C(N)=[NH2+])CCO1 ZINC000104248969 132435528 /nfs/dbraw/zinc/43/55/28/132435528.db2.gz MGZLCRGPOOCOCY-MRVPVSSYSA-N 1 0 237.278 1.335 10 0 BDAERO CC(C)CCNc1nnc(CC[NH3+])s1 ZINC000098123981 166870210 /nfs/dbraw/zinc/87/02/10/166870210.db2.gz PFRUZFDWSKBEPS-UHFFFAOYSA-N 1 0 214.338 1.497 10 0 BDAERO C[C@H](CC(=O)N1CC[C@H](C[NH3+])C1)C(C)(C)C ZINC000082628541 133504387 /nfs/dbraw/zinc/50/43/87/133504387.db2.gz IQQILAJRQPCVMJ-GHMZBOCLSA-N 1 0 226.364 1.866 10 0 BDAERO CC1(C)C(=O)NCCN1C[C@H]1CCCC1(F)F ZINC000336190316 134123422 /nfs/dbraw/zinc/12/34/22/134123422.db2.gz CLYVBYIOHYHEDD-SECBINFHSA-N 1 0 246.301 1.632 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000193241276 134139717 /nfs/dbraw/zinc/13/97/17/134139717.db2.gz KVURRFCCFRDWJF-UPJWGTAASA-N 1 0 245.363 1.321 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)no1 ZINC000085009046 134220819 /nfs/dbraw/zinc/22/08/19/134220819.db2.gz 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226.364 1.340 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)C1 ZINC000251520360 135070191 /nfs/dbraw/zinc/07/01/91/135070191.db2.gz GHSJPKJVMLEQHH-MXWKQRLJSA-N 1 0 238.331 1.302 10 0 BDAERO C[C@@H]1CCCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000252647249 135093011 /nfs/dbraw/zinc/09/30/11/135093011.db2.gz UBHHIXGVKWCLLH-WOPDTQHZSA-N 1 0 239.363 1.568 10 0 BDAERO OC1(C[N@@H+]2CCN3CCC[C@H]3C2)CCCC1 ZINC000252659197 135094009 /nfs/dbraw/zinc/09/40/09/135094009.db2.gz WSBWXIVERPEAIU-LBPRGKRZSA-N 1 0 224.348 1.072 10 0 BDAERO Cc1noc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000252673830 135095188 /nfs/dbraw/zinc/09/51/88/135095188.db2.gz MRLLYKMXAWHWFP-KOLCDFICSA-N 1 0 236.319 1.047 10 0 BDAERO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CC(C)(C)O ZINC000252693292 135096957 /nfs/dbraw/zinc/09/69/57/135096957.db2.gz KKBXUDJTYJETKE-RYUDHWBXSA-N 1 0 226.364 1.316 10 0 BDAERO CN1c2ccccc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000256630188 135099206 /nfs/dbraw/zinc/09/92/06/135099206.db2.gz 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[NH3+]CCSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000020396647 397964155 /nfs/dbraw/zinc/96/41/55/397964155.db2.gz HTPSNNGMNPXNNC-UHFFFAOYSA-N 1 0 247.323 1.900 10 0 BDAERO [NH3+]C[C@]1([C@@H]2CCCOC2)CCCS1 ZINC000306867307 397923658 /nfs/dbraw/zinc/92/36/58/397923658.db2.gz PDFQKIAEDHRGCD-ZJUUUORDSA-N 1 0 201.335 1.638 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2ncccn2)CC1 ZINC000616686351 397926995 /nfs/dbraw/zinc/92/69/95/397926995.db2.gz IPKAZWFGGVPRQQ-NSHDSACASA-N 1 0 221.304 1.648 10 0 BDAERO CSCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699516 397997303 /nfs/dbraw/zinc/99/73/03/397997303.db2.gz WEYHEZYNHOJNPJ-WDEREUQCSA-N 1 0 214.378 1.518 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)c1ccccc1F ZINC000054075012 398023030 /nfs/dbraw/zinc/02/30/30/398023030.db2.gz KVCCMXXTRVUTOG-NXEZZACHSA-N 1 0 238.306 1.953 10 0 BDAERO COCC1(C[NH2+]C[C@@H]2CCC[C@@H]2O)CCC1 ZINC000393740996 398033486 /nfs/dbraw/zinc/03/34/86/398033486.db2.gz FDYOTTLWLXHDDM-RYUDHWBXSA-N 1 0 227.348 1.554 10 0 BDAERO COC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000383678446 398034856 /nfs/dbraw/zinc/03/48/56/398034856.db2.gz NXVQSEBDJXPOMX-MJBXVCDLSA-N 1 0 241.375 1.896 10 0 BDAERO C[C@]1(C[NH3+])CC[N@@H+]([C@H]2CCSC2)C1 ZINC000307134797 397986364 /nfs/dbraw/zinc/98/63/64/397986364.db2.gz AJVFEOYLVBFUJG-VHSXEESVSA-N 1 0 200.351 1.163 10 0 BDAERO CC[C@@H]([NH3+])c1nc(-c2cccs2)n[nH]1 ZINC000054700114 398070544 /nfs/dbraw/zinc/07/05/44/398070544.db2.gz QFUVMOUUUHINSG-ZCFIWIBFSA-N 1 0 208.290 1.943 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCC1CC1 ZINC000384487828 398093602 /nfs/dbraw/zinc/09/36/02/398093602.db2.gz RUSCSLNGNYQYKC-ZYHUDNBSSA-N 1 0 224.348 1.681 10 0 BDAERO Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000384372601 398083815 /nfs/dbraw/zinc/08/38/15/398083815.db2.gz IVNKJNXCQXXZKC-YPMHNXCESA-N 1 0 247.342 1.394 10 0 BDAERO Clc1ccc(NCCC2CC[NH2+]CC2)nc1 ZINC000650311987 398096602 /nfs/dbraw/zinc/09/66/02/398096602.db2.gz IFECRCMQWNJLLX-UHFFFAOYSA-N 1 0 239.750 1.959 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](CCCCCO)C2)cn1 ZINC000116407622 398089837 /nfs/dbraw/zinc/08/98/37/398089837.db2.gz RKKQVNJPZJQKPT-LBPRGKRZSA-N 1 0 237.347 1.372 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]CCCF)C12CCOCC2 ZINC000186422962 398053205 /nfs/dbraw/zinc/05/32/05/398053205.db2.gz BVDKRBYIOZGERZ-NEPJUHHUSA-N 1 0 245.338 1.910 10 0 BDAERO Cc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)on1 ZINC000186553776 398055107 /nfs/dbraw/zinc/05/51/07/398055107.db2.gz OWLXBJJUMVQLBM-JTQLQIEISA-N 1 0 249.314 1.340 10 0 BDAERO C[C@@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)[C@@H](C)O1 ZINC000384692347 398102252 /nfs/dbraw/zinc/10/22/52/398102252.db2.gz CTHXKONYQWHION-GQYKCQBRSA-N 1 0 240.347 1.186 10 0 BDAERO COC(=O)[C@@]1(c2ccc(F)cc2)CC[NH2+]C1 ZINC000260717376 398103234 /nfs/dbraw/zinc/10/32/34/398103234.db2.gz MRSYHSNIQWVKAR-LBPRGKRZSA-N 1 0 223.247 1.230 10 0 BDAERO CC(C)[C@H]1C[C@@]2(CO1)[NH2+][C@H](C)CS2 ZINC000575500232 398104649 /nfs/dbraw/zinc/10/46/49/398104649.db2.gz FGZRSVXKLPSNHU-OPRDCNLKSA-N 1 0 201.335 1.853 10 0 BDAERO CN(c1ncnc2c1CCCC2)C1CC([NH3+])C1 ZINC000384749309 398104665 /nfs/dbraw/zinc/10/46/65/398104665.db2.gz NWKJRGKGOCCDAN-UHFFFAOYSA-N 1 0 232.331 1.281 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncncc1Cl ZINC000389720895 398129291 /nfs/dbraw/zinc/12/92/91/398129291.db2.gz FUNXJAYDDXWVOU-APPZFPTMSA-N 1 0 226.711 1.540 10 0 BDAERO CCc1nnc(C[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000195008872 398129629 /nfs/dbraw/zinc/12/96/29/398129629.db2.gz AKJPTTHMTFUGMF-GHMZBOCLSA-N 1 0 236.363 1.855 10 0 BDAERO COC[C@]1(C(=O)Nc2cc(C)ccn2)CCC[NH2+]1 ZINC000649275457 398133591 /nfs/dbraw/zinc/13/35/91/398133591.db2.gz AUQAZAPFRFJIOO-ZDUSSCGKSA-N 1 0 249.314 1.097 10 0 BDAERO CC(C)CNc1ccnc(C(N)=S)c1 ZINC000061811815 167019520 /nfs/dbraw/zinc/01/95/20/167019520.db2.gz AOLQSFKDFLPVDJ-UHFFFAOYSA-N 1 0 209.318 1.784 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000251951433 322871669 /nfs/dbraw/zinc/87/16/69/322871669.db2.gz UNMDHSVPIMNYIZ-SDDRHHMPSA-N 1 0 226.364 1.927 10 0 BDAERO Cc1nc(C)c(C)c(NC[C@H]2CCC[NH2+]2)n1 ZINC000257661609 322872558 /nfs/dbraw/zinc/87/25/58/322872558.db2.gz VBOFFZNTFCIQEC-LLVKDONJSA-N 1 0 220.320 1.566 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N[C@H]1CCCC[C@@H]1O ZINC000052009729 167102488 /nfs/dbraw/zinc/10/24/88/167102488.db2.gz NIDRXXQSMVNMLA-RYUDHWBXSA-N 1 0 242.363 1.184 10 0 BDAERO CC(C)[NH2+]CCNc1ccc2c(c1)OCO2 ZINC000049478386 167106702 /nfs/dbraw/zinc/10/67/02/167106702.db2.gz POOIQGACGVPGDX-UHFFFAOYSA-N 1 0 222.288 1.825 10 0 BDAERO CC(C)[NH2+]Cc1cc(-n2cccn2)ccn1 ZINC000051489240 167117465 /nfs/dbraw/zinc/11/74/65/167117465.db2.gz RBWAMMJTZNKXHH-UHFFFAOYSA-N 1 0 216.288 1.765 10 0 BDAERO CC(C)[NH2+]Cc1nnnn1[C@@H]1CC1(C)C ZINC000054747330 167122949 /nfs/dbraw/zinc/12/29/49/167122949.db2.gz DCOCQKNUPBDNRP-MRVPVSSYSA-N 1 0 209.297 1.142 10 0 BDAERO CC(C)[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000038115591 167141650 /nfs/dbraw/zinc/14/16/50/167141650.db2.gz GUALLWRKMKUJBM-GFCCVEGCSA-N 1 0 209.289 1.598 10 0 BDAERO CC(C)[C@@H]([NH3+])CNc1ncnc2c1CCCC2 ZINC000094872542 487562252 /nfs/dbraw/zinc/56/22/52/487562252.db2.gz OQFVVAMRSBEHKA-NSHDSACASA-N 1 0 234.347 1.751 10 0 BDAERO [NH3+]C[C@@H]1CCCN1c1ncnc2c1CCCC2 ZINC000094872845 487562190 /nfs/dbraw/zinc/56/21/90/487562190.db2.gz NVSSBGWMFGYMSS-JTQLQIEISA-N 1 0 232.331 1.283 10 0 BDAERO CCOc1cccc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000676234906 487563832 /nfs/dbraw/zinc/56/38/32/487563832.db2.gz SLNXQBIGPUYCHR-GFCCVEGCSA-N 1 0 234.299 1.063 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094937370 487564183 /nfs/dbraw/zinc/56/41/83/487564183.db2.gz DSZVWPIPHKRGQK-SFYZADRCSA-N 1 0 233.275 1.302 10 0 BDAERO CC(=O)c1ccnc(N2CC[C@H]([NH+](C)C)C2)c1 ZINC000094997329 487568443 /nfs/dbraw/zinc/56/84/43/487568443.db2.gz UDAZUTGAZKWLOR-LBPRGKRZSA-N 1 0 233.315 1.425 10 0 BDAERO CC(C)OCCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105924112 167217252 /nfs/dbraw/zinc/21/72/52/167217252.db2.gz GFUKMDQXGSKEBS-ZDUSSCGKSA-N 1 0 244.379 1.064 10 0 BDAERO CC(C)[C@@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000087045718 487599978 /nfs/dbraw/zinc/59/99/78/487599978.db2.gz LYRVNQZGCRCSTQ-MRVPVSSYSA-N 1 0 210.277 1.513 10 0 BDAERO CC(C)S(=O)(=O)Nc1ccc(F)c(C[NH3+])c1 ZINC000051635070 167319689 /nfs/dbraw/zinc/31/96/89/167319689.db2.gz KZKCQAXMJKIOBX-UHFFFAOYSA-N 1 0 246.307 1.435 10 0 BDAERO CC(C)CCN(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000087122591 487609144 /nfs/dbraw/zinc/60/91/44/487609144.db2.gz CLYSYPMZKCUDMR-RYUDHWBXSA-N 1 0 226.364 1.879 10 0 BDAERO Cc1nocc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000662266983 409569219 /nfs/dbraw/zinc/56/92/19/409569219.db2.gz PBPOGJFOLRDAPW-GFCCVEGCSA-N 1 0 223.320 1.557 10 0 BDAERO C[C@@H]1C[N@H+](CC(C)(C)O)C[C@@](C)(C(F)F)O1 ZINC000662361392 409675927 /nfs/dbraw/zinc/67/59/27/409675927.db2.gz VHLCQIQICYOARR-KCJUWKMLSA-N 1 0 237.290 1.502 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1[NH3+] ZINC000662573020 409765234 /nfs/dbraw/zinc/76/52/34/409765234.db2.gz QFPYDZMWNJQURB-ZYHUDNBSSA-N 1 0 236.359 1.762 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CN(c2nc3ccccc3[nH]2)CCO1 ZINC000132887348 409978479 /nfs/dbraw/zinc/97/84/79/409978479.db2.gz ZALPXQFBOCFGQK-CABZTGNLSA-N 1 0 246.314 1.115 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662970610 410000226 /nfs/dbraw/zinc/00/02/26/410000226.db2.gz NBQXFPVXISBDNH-ZJUUUORDSA-N 1 0 236.319 1.185 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(O)(CC)CC1 ZINC000653174554 410150055 /nfs/dbraw/zinc/15/00/55/410150055.db2.gz WVJKPUROEAACDB-GHMZBOCLSA-N 1 0 242.363 1.123 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000663273268 410090931 /nfs/dbraw/zinc/09/09/31/410090931.db2.gz YQOPLEHGUKQTTA-VXGBXAGGSA-N 1 0 248.374 1.993 10 0 BDAERO Brc1ccc([C@@H]2CC[NH2+]C2)cn1 ZINC000044121882 166099480 /nfs/dbraw/zinc/09/94/80/166099480.db2.gz NJFBSJOFMGBIPV-MRVPVSSYSA-N 1 0 227.105 1.921 10 0 BDAERO Brc1ccc([C@@H]2CC[NH2+]C2)nc1 ZINC000083323822 166100318 /nfs/dbraw/zinc/10/03/18/166100318.db2.gz OYPHFHWCDFUATD-SSDOTTSWSA-N 1 0 227.105 1.921 10 0 BDAERO Brc1ccnc([C@H]2CC[NH2+]C2)c1 ZINC000083323819 166103544 /nfs/dbraw/zinc/10/35/44/166103544.db2.gz FAZZKEJMHGJSJK-ZETCQYMHSA-N 1 0 227.105 1.921 10 0 BDAERO Brc1cnn(C[C@H]2CCC[NH2+]2)c1 ZINC000043496146 166106726 /nfs/dbraw/zinc/10/67/26/166106726.db2.gz DWGNYWPLHBOTBH-MRVPVSSYSA-N 1 0 230.109 1.398 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cccs1 ZINC000335598061 410451229 /nfs/dbraw/zinc/45/12/29/410451229.db2.gz RSGBFEIMWIFVPX-ONGXEEELSA-N 1 0 238.356 1.752 10 0 BDAERO CCN(CC)C(=O)C[C@@H](C[NH3+])c1cccnc1 ZINC000076618208 169751185 /nfs/dbraw/zinc/75/11/85/169751185.db2.gz DFWHQLVJVCYKGX-LBPRGKRZSA-N 1 0 235.331 1.382 10 0 BDAERO COCC1(C[N@@H+]2CC[C@H](CCO)C2)CCC1 ZINC000309263254 410690451 /nfs/dbraw/zinc/69/04/51/410690451.db2.gz BQIUMWABHYVXOE-GFCCVEGCSA-N 1 0 227.348 1.507 10 0 BDAERO COCCC[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000378757859 410692120 /nfs/dbraw/zinc/69/21/20/410692120.db2.gz ZDBZYUZSUCGMID-GMTAPVOTSA-N 1 0 201.310 1.569 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@@H]2[NH3+] ZINC000071373452 166657613 /nfs/dbraw/zinc/65/76/13/166657613.db2.gz KBFKGKCNVPZMHL-IWSPIJDZSA-N 1 0 212.293 1.343 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000019842651 166695834 /nfs/dbraw/zinc/69/58/34/166695834.db2.gz XRUFXMPTWXZMOC-JTQLQIEISA-N 1 0 219.288 1.902 10 0 BDAERO CC(C)C(=O)N1CCc2cc(C[NH3+])ccc21 ZINC000021782400 166711544 /nfs/dbraw/zinc/71/15/44/166711544.db2.gz IZIUVCWVNIHRIC-UHFFFAOYSA-N 1 0 218.300 1.690 10 0 BDAERO CN(C)[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000393760903 410761565 /nfs/dbraw/zinc/76/15/65/410761565.db2.gz LFGRZDOWQFHHON-XQQFMLRXSA-N 1 0 226.364 1.173 10 0 BDAERO CC(C)CCC(=O)N1CC[C@@H]2CC[C@H](C1)[NH2+]2 ZINC000096083684 166788763 /nfs/dbraw/zinc/78/87/63/166788763.db2.gz MMBJQLAIUZCIDQ-NWDGAFQWSA-N 1 0 224.348 1.776 10 0 BDAERO Cc1ccc(CC(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1C ZINC000393984427 410773669 /nfs/dbraw/zinc/77/36/69/410773669.db2.gz JEYHFGNRRBFUDL-OCCSQVGLSA-N 1 0 246.354 1.794 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCCc1ncc(C)cc1C ZINC000655488339 410793125 /nfs/dbraw/zinc/79/31/25/410793125.db2.gz FSJXKGRBRPINKV-GFCCVEGCSA-N 1 0 249.358 1.485 10 0 BDAERO CC[C@H](CC(F)F)C[N@@H+]1CCOC[C@@H]1CO ZINC000661562384 410838124 /nfs/dbraw/zinc/83/81/24/410838124.db2.gz RAWXKPFGBPFZOR-ZJUUUORDSA-N 1 0 237.290 1.361 10 0 BDAERO CN1CCC[C@@H]1C[NH2+][C@@H](CO)c1ccccc1 ZINC000395319726 410845628 /nfs/dbraw/zinc/84/56/28/410845628.db2.gz KXYYJDFQUORCAK-KGLIPLIRSA-N 1 0 234.343 1.404 10 0 BDAERO CC(C)CC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000336699735 166912977 /nfs/dbraw/zinc/91/29/77/166912977.db2.gz ZYULXISULWLZDY-FRRDWIJNSA-N 1 0 229.364 1.941 10 0 BDAERO Cc1cnc(C[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000394728093 410819368 /nfs/dbraw/zinc/81/93/68/410819368.db2.gz LKQRXQNKGXYQQH-NXEZZACHSA-N 1 0 226.345 1.845 10 0 BDAERO CC(C)C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000033469270 167005984 /nfs/dbraw/zinc/00/59/84/167005984.db2.gz BYRVIOCXTPGITD-LLVKDONJSA-N 1 0 241.306 1.811 10 0 BDAERO CC(C)C[NH2+]Cc1nnnn1[C@H]1CCC[C@@H]1C ZINC000071209506 167009670 /nfs/dbraw/zinc/00/96/70/167009670.db2.gz RZHFFSONQBXFKG-QWRGUYRKSA-N 1 0 237.351 1.780 10 0 BDAERO CC(C)C[NH2+]Cc1coc(Cn2cncn2)c1 ZINC000052575178 167009942 /nfs/dbraw/zinc/00/99/42/167009942.db2.gz QOGBSHYNXGYFQT-UHFFFAOYSA-N 1 0 234.303 1.665 10 0 BDAERO CC(C)C[NH2+][C@H](C(N)=O)c1ccc2c(c1)CCO2 ZINC000037946326 167013663 /nfs/dbraw/zinc/01/36/63/167013663.db2.gz VJHVYZRCJJTBDX-ZDUSSCGKSA-N 1 0 248.326 1.394 10 0 BDAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCc2ccccc2C1 ZINC000037946334 167013998 /nfs/dbraw/zinc/01/39/98/167013998.db2.gz JHHODNIMKYAYNV-HNNXBMFYSA-N 1 0 246.354 1.645 10 0 BDAERO CC(C)C[NH2+][C@H]1CCO[C@@H]1c1ccnn1C ZINC000284761657 167014632 /nfs/dbraw/zinc/01/46/32/167014632.db2.gz OVIZWEBTBYJVKX-JQWIXIFHSA-N 1 0 223.320 1.496 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccco2)C1 ZINC000155755948 167026698 /nfs/dbraw/zinc/02/66/98/167026698.db2.gz JCXBSDOBKXLZTE-MNOVXSKESA-N 1 0 236.315 1.738 10 0 BDAERO CC(C)NC(=O)CC[C@H](C[NH3+])c1ccncc1 ZINC000076618275 167046748 /nfs/dbraw/zinc/04/67/48/167046748.db2.gz LMNZLHUVKGWANY-GFCCVEGCSA-N 1 0 235.331 1.429 10 0 BDAERO CC(C)NC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000037916203 167070330 /nfs/dbraw/zinc/07/03/30/167070330.db2.gz CSPYIFIKVKTKIN-RYUDHWBXSA-N 1 0 239.363 1.568 10 0 BDAERO CC(C)NC(=O)NC[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000051573940 167074231 /nfs/dbraw/zinc/07/42/31/167074231.db2.gz VFNQPVVKIANMIN-NXEZZACHSA-N 1 0 213.325 1.225 10 0 BDAERO CC(C)[NH2+]C1(C(N)=O)CCCCCCC1 ZINC000037869251 167092441 /nfs/dbraw/zinc/09/24/41/167092441.db2.gz OBXTZKJTWCQSRJ-UHFFFAOYSA-N 1 0 212.337 1.953 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052009726 167101492 /nfs/dbraw/zinc/10/14/92/167101492.db2.gz NIDRXXQSMVNMLA-NEPJUHHUSA-N 1 0 242.363 1.184 10 0 BDAERO CC(C)[NH2+]C[C@@H](C)N1CCOCC1(C)C ZINC000052546033 167110359 /nfs/dbraw/zinc/11/03/59/167110359.db2.gz POSGNCLHTAQXRK-LLVKDONJSA-N 1 0 214.353 1.484 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN(c2nccn2C)C1 ZINC000053701966 167111019 /nfs/dbraw/zinc/11/10/19/167111019.db2.gz ANSDWIZMSGTMPF-LBPRGKRZSA-N 1 0 236.363 1.635 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N1CCOCC1(C)C ZINC000052546034 167112940 /nfs/dbraw/zinc/11/29/40/167112940.db2.gz POSGNCLHTAQXRK-NSHDSACASA-N 1 0 214.353 1.484 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCN1Cc1cnn(C)c1 ZINC000053649167 167114474 /nfs/dbraw/zinc/11/44/74/167114474.db2.gz FDIDGRFJHCOJND-CYBMUJFWSA-N 1 0 236.363 1.383 10 0 BDAERO CC(C)[NH2+]Cc1csc(-c2nc[nH]n2)n1 ZINC000040999679 167120763 /nfs/dbraw/zinc/12/07/63/167120763.db2.gz KAGZAOBBXGJUBY-UHFFFAOYSA-N 1 0 223.305 1.426 10 0 BDAERO CC(C)[NH2+]Cc1nnnn1C(C1CC1)C1CC1 ZINC000054748240 167123153 /nfs/dbraw/zinc/12/31/53/167123153.db2.gz YQRCVBIKAMIWMZ-UHFFFAOYSA-N 1 0 235.335 1.532 10 0 BDAERO CC(C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000125669706 167137969 /nfs/dbraw/zinc/13/79/69/167137969.db2.gz JTULLZZBSVFTGZ-SECBINFHSA-N 1 0 208.309 1.673 10 0 BDAERO CC(C)[NH2+][C@](C)(C(N)=O)C1CCCCC1 ZINC000037943564 167143011 /nfs/dbraw/zinc/14/30/11/167143011.db2.gz AIDKVOJUXBDOSF-LBPRGKRZSA-N 1 0 212.337 1.809 10 0 BDAERO CC(C)OC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042537 167170132 /nfs/dbraw/zinc/17/01/32/167170132.db2.gz XTVFMBZWXWQXAU-GFCCVEGCSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)OCC[NH+]1[C@H](C)COC[C@H]1C ZINC000120841760 167238164 /nfs/dbraw/zinc/23/81/64/167238164.db2.gz QTWPNVHGPPWPFQ-GHMZBOCLSA-N 1 0 201.310 1.521 10 0 BDAERO CC(C)OCCOc1ccc(CC(N)=[NH2+])cc1 ZINC000049259750 167248095 /nfs/dbraw/zinc/24/80/95/167248095.db2.gz NDZCLZQVYAVVSV-UHFFFAOYSA-N 1 0 236.315 1.969 10 0 BDAERO CC(C)OCCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052626759 167252016 /nfs/dbraw/zinc/25/20/16/167252016.db2.gz SDGCLFLLWAQNCJ-UHFFFAOYSA-N 1 0 240.351 1.591 10 0 BDAERO CC(C)Oc1cc[nH+]c(N)c1OC1CC1 ZINC000095726496 167311826 /nfs/dbraw/zinc/31/18/26/167311826.db2.gz RAZKXMBRTRZMPM-UHFFFAOYSA-N 1 0 208.261 1.992 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000037504717 167366289 /nfs/dbraw/zinc/36/62/89/167366289.db2.gz VQANAWLMRDRRHV-GHMZBOCLSA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105075838 167377192 /nfs/dbraw/zinc/37/71/92/167377192.db2.gz HDZSUCHWSSXMBC-GHMZBOCLSA-N 1 0 241.379 1.813 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000129448560 167386035 /nfs/dbraw/zinc/38/60/35/167386035.db2.gz RUDIEHXQHYPLLO-ZJUUUORDSA-N 1 0 208.309 1.227 10 0 BDAERO CC(C)[C@](C)(CO)[NH2+]C[C@@H]1CCCN1C ZINC000398450965 410964361 /nfs/dbraw/zinc/96/43/61/410964361.db2.gz CBUGIHBIDLUKIA-RYUDHWBXSA-N 1 0 214.353 1.077 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655500228 411058321 /nfs/dbraw/zinc/05/83/21/411058321.db2.gz WKFRTCBLOMEYCY-JQWIXIFHSA-N 1 0 235.331 1.256 10 0 BDAERO C[C@H]1CN(c2ncnc3c2CCCC3)C[C@H]1[NH3+] ZINC000300048796 411076765 /nfs/dbraw/zinc/07/67/65/411076765.db2.gz MSYMXYNKEFBENA-GXSJLCMTSA-N 1 0 232.331 1.139 10 0 BDAERO CC(C)c1cc(O[C@@H]2CCC[NH2+]C2)ncn1 ZINC000051873066 167577329 /nfs/dbraw/zinc/57/73/29/167577329.db2.gz VZEHWSIQQFKCIF-SNVBAGLBSA-N 1 0 221.304 1.731 10 0 BDAERO CC[C@H](NC(=O)CC[NH2+]C(C)C)C(C)C ZINC000042593036 411022396 /nfs/dbraw/zinc/02/23/96/411022396.db2.gz RTSAIUJUMCEIPB-NSHDSACASA-N 1 0 214.353 1.925 10 0 BDAERO Cc1ccc2oc(NC[C@H](C)[NH3+])nc2c1 ZINC000107197177 411132744 /nfs/dbraw/zinc/13/27/44/411132744.db2.gz ACRICBLSFOQLCM-QMMMGPOBSA-N 1 0 205.261 1.895 10 0 BDAERO Cc1ccc2oc(NC[C@@H](C)[NH3+])nc2c1 ZINC000107197175 411132815 /nfs/dbraw/zinc/13/28/15/411132815.db2.gz ACRICBLSFOQLCM-MRVPVSSYSA-N 1 0 205.261 1.895 10 0 BDAERO COCCCCNC(=O)C1CCC([NH3+])CC1 ZINC000044659868 411138834 /nfs/dbraw/zinc/13/88/34/411138834.db2.gz YNSKLJBQFHWOAC-UHFFFAOYSA-N 1 0 228.336 1.047 10 0 BDAERO CCC[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000044762047 411139727 /nfs/dbraw/zinc/13/97/27/411139727.db2.gz RMPWKSXHZXRVIK-JTQLQIEISA-N 1 0 228.336 1.047 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000659998797 411163994 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/nfs/dbraw/zinc/29/55/03/411295503.db2.gz FLMRSUNNRVTLRK-NSHDSACASA-N 1 0 248.326 1.343 10 0 BDAERO C[C@@H](NC(=O)CCCC[NH3+])C1CCCC1 ZINC000069805806 411295695 /nfs/dbraw/zinc/29/56/95/411295695.db2.gz SLVAXYYTEUMJRQ-SNVBAGLBSA-N 1 0 212.337 1.810 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@@H]12 ZINC000659305678 411299817 /nfs/dbraw/zinc/29/98/17/411299817.db2.gz JXRSTLLLSIPTEJ-PQCBQTOFSA-N 1 0 234.343 1.228 10 0 BDAERO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC000006780143 411300016 /nfs/dbraw/zinc/30/00/16/411300016.db2.gz XYJMNRWKGUVPQP-VHSXEESVSA-N 1 0 228.336 1.981 10 0 BDAERO CC(C)C1CC([NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000658238439 411307011 /nfs/dbraw/zinc/30/70/11/411307011.db2.gz GTUXKPKOBQKLLO-VOMCLLRMSA-N 1 0 224.348 1.489 10 0 BDAERO CC[N@H+](C[C@@H](O)C(C)(C)C)[C@H]1CCCOC1 ZINC000402677038 411307260 /nfs/dbraw/zinc/30/72/60/411307260.db2.gz FTXQKIMEGWMMHT-NWDGAFQWSA-N 1 0 229.364 1.894 10 0 BDAERO Cc1cc(NCC2([NH3+])CCCC2)n2ncnc2n1 ZINC000656610203 411308573 /nfs/dbraw/zinc/30/85/73/411308573.db2.gz MPTJDOGIRGYFHG-UHFFFAOYSA-N 1 0 246.318 1.116 10 0 BDAERO CC(C)[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000658245433 411309944 /nfs/dbraw/zinc/30/99/44/411309944.db2.gz XYCDARFQJBQYGS-MFKMUULPSA-N 1 0 224.348 1.489 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccco1 ZINC000658245262 411309963 /nfs/dbraw/zinc/30/99/63/411309963.db2.gz QUAICJBUWKBWEW-VHSXEESVSA-N 1 0 222.288 1.409 10 0 BDAERO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658244167 411309984 /nfs/dbraw/zinc/30/99/84/411309984.db2.gz SESFGCLLEJGOFT-CMPLNLGQSA-N 1 0 224.348 1.633 10 0 BDAERO CC(C)[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC000658245431 411310118 /nfs/dbraw/zinc/31/01/18/411310118.db2.gz XYCDARFQJBQYGS-GWCFXTLKSA-N 1 0 224.348 1.489 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C(C)(C)C ZINC000658242810 411310542 /nfs/dbraw/zinc/31/05/42/411310542.db2.gz KVZDXWAPLABNJX-VHSXEESVSA-N 1 0 212.337 1.489 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccco1 ZINC000658245260 411310639 /nfs/dbraw/zinc/31/06/39/411310639.db2.gz QUAICJBUWKBWEW-NXEZZACHSA-N 1 0 222.288 1.409 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402814993 411317846 /nfs/dbraw/zinc/31/78/46/411317846.db2.gz MGKIPSHKFQRTTD-HTOAHKCRSA-N 1 0 248.370 1.832 10 0 BDAERO [NH3+]C[C@H]1CCN(c2ncnc3ccccc32)C1 ZINC000050249917 411255792 /nfs/dbraw/zinc/25/57/92/411255792.db2.gz XEBMOLPVQWKSOQ-SNVBAGLBSA-N 1 0 228.299 1.415 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+]C2CC(CO)C2)C1(C)C ZINC000658355846 411352097 /nfs/dbraw/zinc/35/20/97/411352097.db2.gz JTFVTNYHYMRZTB-QQFIATSDSA-N 1 0 227.348 1.551 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662038626 411353107 /nfs/dbraw/zinc/35/31/07/411353107.db2.gz WPEXYFYVCBTIOO-TUAOUCFPSA-N 1 0 213.321 1.116 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)C12CCC2 ZINC000658355943 411353562 /nfs/dbraw/zinc/35/35/62/411353562.db2.gz KWBYPKPZHLHAEI-FIYWTHMPSA-N 1 0 239.359 1.695 10 0 BDAERO C[C@H](Cn1ccnc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000304263095 411357327 /nfs/dbraw/zinc/35/73/27/411357327.db2.gz UGYZWKQMASWHIL-MNOVXSKESA-N 1 0 225.336 1.268 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)[C@H](C)CO1 ZINC000403754837 411357957 /nfs/dbraw/zinc/35/79/57/411357957.db2.gz GEDLSBVMXFHAIS-WZRBSPASSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCO[C@H]1CC1(F)F ZINC000656708054 411334918 /nfs/dbraw/zinc/33/49/18/411334918.db2.gz JOUSVNDEGHMEAT-IUCAKERBSA-N 1 0 237.290 1.407 10 0 BDAERO COc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1C ZINC000659314126 411339971 /nfs/dbraw/zinc/33/99/71/411339971.db2.gz IIZUBEWLOCYOTN-ZYHUDNBSSA-N 1 0 248.326 1.565 10 0 BDAERO COC[C@H](CC[NH2+]C[C@H](O)C(C)(C)C)OC ZINC000656705254 411341420 /nfs/dbraw/zinc/34/14/20/411341420.db2.gz NPLZBXDIFCDYOZ-QWRGUYRKSA-N 1 0 233.352 1.035 10 0 BDAERO CC1(O)CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000126892394 168066412 /nfs/dbraw/zinc/06/64/12/168066412.db2.gz CEVPJRDQGYLQJV-CYBMUJFWSA-N 1 0 247.338 1.837 10 0 BDAERO CC[C@H](NC(=O)[C@@]1(COC)CCC[NH2+]1)C(C)C ZINC000659250792 411381665 /nfs/dbraw/zinc/38/16/65/411381665.db2.gz PARSILHMRMPXHL-AAEUAGOBSA-N 1 0 242.363 1.306 10 0 BDAERO CC1CCC(C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000037958962 168149962 /nfs/dbraw/zinc/14/99/62/168149962.db2.gz DPTLSPCTSLPUJH-UHFFFAOYSA-N 1 0 240.347 1.315 10 0 BDAERO CC(C)S(=O)(=O)NC1(C[NH3+])CCC(C)CC1 ZINC000037657171 168152649 /nfs/dbraw/zinc/15/26/49/168152649.db2.gz CIQKBHXFZMIJON-UHFFFAOYSA-N 1 0 248.392 1.222 10 0 BDAERO CC1CCC(C[NH3+])(OC[C@H]2CCOC2)CC1 ZINC000050501344 168153244 /nfs/dbraw/zinc/15/32/44/168153244.db2.gz DXWSNWCYTQICRV-CPCZMJQVSA-N 1 0 227.348 1.947 10 0 BDAERO CC1CCC(C[NH2+]CCc2nnc[nH]2)CC1 ZINC000084339469 168154930 /nfs/dbraw/zinc/15/49/30/168154930.db2.gz GACMLXCDHNWAEN-UHFFFAOYSA-N 1 0 222.336 1.763 10 0 BDAERO CC1CCC(N(C)C(=O)C(C)(C)[NH3+])CC1 ZINC000042372738 168157565 /nfs/dbraw/zinc/15/75/65/168157565.db2.gz PEVAZCDCQPSOBO-UHFFFAOYSA-N 1 0 212.337 1.761 10 0 BDAERO CC1CCC([NH2+]C[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000037943004 168163289 /nfs/dbraw/zinc/16/32/89/168163289.db2.gz TUQIJVHIOLVIJU-AKJDGMEZSA-N 1 0 240.347 1.189 10 0 BDAERO C[C@H]([NH2+]C1CCC(C)CC1)C(=O)NC1CC1 ZINC000020309498 168163813 /nfs/dbraw/zinc/16/38/13/168163813.db2.gz JVUAYAMDZRUNIZ-YVNMAJEFSA-N 1 0 224.348 1.822 10 0 BDAERO CC1CCC([NH2+]C[C@H]2CCCO2)(C(N)=O)CC1 ZINC000037943005 168164972 /nfs/dbraw/zinc/16/49/72/168164972.db2.gz TUQIJVHIOLVIJU-QWKFWESOSA-N 1 0 240.347 1.189 10 0 BDAERO CC1CCN(C(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000019507262 168174495 /nfs/dbraw/zinc/17/44/95/168174495.db2.gz WSCATESUZYPACG-VXGBXAGGSA-N 1 0 224.348 1.633 10 0 BDAERO Nc1ccc([C@@H]2CCCN(CC[NH3+])CC2)cn1 ZINC000616601411 411382392 /nfs/dbraw/zinc/38/23/92/411382392.db2.gz OWIUZHDGCWRRRJ-LLVKDONJSA-N 1 0 234.347 1.192 10 0 BDAERO CCC(=O)Nc1ccc(N(CC)CC[NH3+])cc1 ZINC000020224776 168243991 /nfs/dbraw/zinc/24/39/91/168243991.db2.gz YHDKWQHLTWYEGQ-UHFFFAOYSA-N 1 0 235.331 1.820 10 0 BDAERO CCC(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000019681332 168248427 /nfs/dbraw/zinc/24/84/27/168248427.db2.gz KHHVLXUCJZDSQF-UHFFFAOYSA-N 1 0 211.290 1.137 10 0 BDAERO CCC(C)(C)C(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037144 168264796 /nfs/dbraw/zinc/26/47/96/168264796.db2.gz HIMSELVGZJNGHH-GHMZBOCLSA-N 1 0 226.364 1.927 10 0 BDAERO CCC(C)(C)[NH2+]Cc1c(OC)ncnc1OC ZINC000036745614 168299038 /nfs/dbraw/zinc/29/90/38/168299038.db2.gz ABZXYIZQUPVSNV-UHFFFAOYSA-N 1 0 239.319 1.772 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000659380082 411395018 /nfs/dbraw/zinc/39/50/18/411395018.db2.gz WTMHYISFMBYDPN-KWBADKCTSA-N 1 0 224.348 1.809 10 0 BDAERO CCC1(O)CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000659956622 411398818 /nfs/dbraw/zinc/39/88/18/411398818.db2.gz CBTGYLLUBFHIAC-QWHCGFSZSA-N 1 0 241.375 1.774 10 0 BDAERO C[C@]1(CNC(=O)[C@H]2CCC[NH2+]C2)CC1(F)F ZINC000659361418 411403253 /nfs/dbraw/zinc/40/32/53/411403253.db2.gz KGGBLQAZGCOOGX-WCBMZHEXSA-N 1 0 232.274 1.148 10 0 BDAERO [NH3+]CCN1C[C@H](c2cnco2)Nc2ccccc21 ZINC000616683806 411415167 /nfs/dbraw/zinc/41/51/67/411415167.db2.gz IRQLCSSKRZTPKI-LLVKDONJSA-N 1 0 244.298 1.607 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCCC(F)(F)C1 ZINC000405049386 411415966 /nfs/dbraw/zinc/41/59/66/411415966.db2.gz IRRPVPBDJXMNBK-RKDXNWHRSA-N 1 0 234.290 1.618 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCCC(F)(F)C2)C1 ZINC000405096766 411417184 /nfs/dbraw/zinc/41/71/84/411417184.db2.gz ZPTPAAMLUFCCGQ-UWVGGRQHSA-N 1 0 246.301 1.762 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCC(F)(F)C2)C1 ZINC000405143406 411418592 /nfs/dbraw/zinc/41/85/92/411418592.db2.gz ZEJZDSDQJXMYKZ-DTWKUNHWSA-N 1 0 232.274 1.372 10 0 BDAERO CCc1cc(N2CC[C@H]([NH3+])[C@H](CC)C2)nc(C)n1 ZINC000122915199 411436920 /nfs/dbraw/zinc/43/69/20/411436920.db2.gz NBJURJFOEAYIIZ-YPMHNXCESA-N 1 0 248.374 1.911 10 0 BDAERO CC[C@@H](C)CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000128901332 411441835 /nfs/dbraw/zinc/44/18/35/411441835.db2.gz IIWWEYYDYBWOEQ-MNOVXSKESA-N 1 0 214.353 1.864 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C1CCCC1 ZINC000128895978 411442069 /nfs/dbraw/zinc/44/20/69/411442069.db2.gz ZDQREYRHTBBVIQ-LLVKDONJSA-N 1 0 212.337 1.761 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2O)n1C ZINC000657360670 411477171 /nfs/dbraw/zinc/47/71/71/411477171.db2.gz OSIZJVUDFAVDDF-NWDGAFQWSA-N 1 0 223.320 1.122 10 0 BDAERO OCC[N@H+](CC1CC1)C[C@@H]1CCC[C@H](O)C1 ZINC000659858985 411479513 /nfs/dbraw/zinc/47/95/13/411479513.db2.gz WBCNGFGPIKXPBH-OLZOCXBDSA-N 1 0 227.348 1.242 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@H]2CCCC[C@@H]2CO)n1 ZINC000657369726 411484043 /nfs/dbraw/zinc/48/40/43/411484043.db2.gz CVCCVVRRKAKZJJ-MNOVXSKESA-N 1 0 223.320 1.359 10 0 BDAERO CCN(c1ccccc1)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000022161932 169943399 /nfs/dbraw/zinc/94/33/99/169943399.db2.gz IYZZNAZHRXKUJC-OCCSQVGLSA-N 1 0 234.343 1.877 10 0 BDAERO CN1CCO[C@@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000336614461 411498587 /nfs/dbraw/zinc/49/85/87/411498587.db2.gz OCRIZDCJXVKTBX-VXGBXAGGSA-N 1 0 238.356 1.263 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657495023 411534458 /nfs/dbraw/zinc/53/44/58/411534458.db2.gz GHUDDNZTUQTPCE-LLVKDONJSA-N 1 0 234.347 1.013 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCC(C)=O ZINC000336655265 169977253 /nfs/dbraw/zinc/97/72/53/169977253.db2.gz VPLRDZXYOWYQRF-LBPRGKRZSA-N 1 0 240.347 1.298 10 0 BDAERO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC)C2)CO1 ZINC000657495651 411535086 /nfs/dbraw/zinc/53/50/86/411535086.db2.gz KOHIGHHOSBJDGG-IJLUTSLNSA-N 1 0 212.337 1.238 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@@H](O)C2)n1 ZINC000657324660 411464757 /nfs/dbraw/zinc/46/47/57/411464757.db2.gz ARCFFZPRGXLMJY-NXEZZACHSA-N 1 0 209.293 1.111 10 0 BDAERO CC(C)([NH3+])CCC(=O)NCC[C@@H]1CCCO1 ZINC000069633869 411465201 /nfs/dbraw/zinc/46/52/01/411465201.db2.gz HDFIVDJANBZQEU-JTQLQIEISA-N 1 0 228.336 1.189 10 0 BDAERO CCN1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000056894908 170000231 /nfs/dbraw/zinc/00/02/31/170000231.db2.gz PPTYMQWKKFYFPV-LBPRGKRZSA-N 1 0 208.280 1.792 10 0 BDAERO CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000657327593 411466002 /nfs/dbraw/zinc/46/60/02/411466002.db2.gz WTAWSHMUISPIOW-NEPJUHHUSA-N 1 0 237.347 1.857 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000657500986 411538554 /nfs/dbraw/zinc/53/85/54/411538554.db2.gz TZLWLAJRWRRYQZ-HBNTYKKESA-N 1 0 205.305 1.996 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2ncccn2)C1 ZINC000037484449 170017227 /nfs/dbraw/zinc/01/72/27/170017227.db2.gz XMRDNHRVNJJIIT-SNVBAGLBSA-N 1 0 206.293 1.230 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000328337775 170023061 /nfs/dbraw/zinc/02/30/61/170023061.db2.gz JTONUJVNDFGAKW-WOPDTQHZSA-N 1 0 212.337 1.238 10 0 BDAERO CCN1C[C@H]([NH2+][C@@H](C)CCOC)[C@@H](C)C1 ZINC000336769768 170037494 /nfs/dbraw/zinc/03/74/94/170037494.db2.gz VBYNYKBBXBIALD-SRVKXCTJSA-N 1 0 214.353 1.341 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000336769306 170039889 /nfs/dbraw/zinc/03/98/89/170039889.db2.gz USYBSEHLQDEFFB-QJPTWQEYSA-N 1 0 228.405 1.812 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000657523639 411541845 /nfs/dbraw/zinc/54/18/45/411541845.db2.gz HEGGVANKBGDZCB-SNVBAGLBSA-N 1 0 242.681 1.457 10 0 BDAERO CCNC(=O)C[NH2+][C@H]1CCC[C@H](C)[C@@H]1C ZINC000020055143 170065758 /nfs/dbraw/zinc/06/57/58/170065758.db2.gz MSCKFDFHDRGDIT-DCAQKATOSA-N 1 0 212.337 1.537 10 0 BDAERO CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106429702 170089824 /nfs/dbraw/zinc/08/98/24/170089824.db2.gz FDTAZKGSORWBIV-GFCCVEGCSA-N 1 0 220.316 1.295 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1cccnc1 ZINC000076610717 170090306 /nfs/dbraw/zinc/09/03/06/170090306.db2.gz OYLMNKQEPCCIBZ-NSHDSACASA-N 1 0 221.304 1.040 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000036794993 170095286 /nfs/dbraw/zinc/09/52/86/170095286.db2.gz JOJVMLZGHZWCAT-UWVGGRQHSA-N 1 0 236.315 1.567 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1ccncc1 ZINC000076610726 170097813 /nfs/dbraw/zinc/09/78/13/170097813.db2.gz HKMZMZYYJVEYJU-LLVKDONJSA-N 1 0 221.304 1.040 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(C)C1CCOCC1 ZINC000061289736 170106778 /nfs/dbraw/zinc/10/67/78/170106778.db2.gz CZZKDFJMITVMJV-UHFFFAOYSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCCSCC1 ZINC000061299768 170107023 /nfs/dbraw/zinc/10/70/23/170107023.db2.gz NMSJOOIBMIOHQW-UHFFFAOYSA-N 1 0 216.394 1.813 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)NCCOC1CCCC1 ZINC000104447783 170107133 /nfs/dbraw/zinc/10/71/33/170107133.db2.gz BPOPTVDHLQEMSW-UHFFFAOYSA-N 1 0 242.363 1.450 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1cccnc1 ZINC000061278565 170107386 /nfs/dbraw/zinc/10/73/86/170107386.db2.gz USXNNVUAJMCMJF-UHFFFAOYSA-N 1 0 207.277 1.408 10 0 BDAERO CC[NH2+]C(C)(C)c1nnc2cc(C)ncn21 ZINC000061151295 170107445 /nfs/dbraw/zinc/10/74/45/170107445.db2.gz APFVCDNSZKUBFT-UHFFFAOYSA-N 1 0 219.292 1.277 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1c(C)n[nH]c1C ZINC000061289342 170107925 /nfs/dbraw/zinc/10/79/25/170107925.db2.gz IFHLSHKHAOFEFT-UHFFFAOYSA-N 1 0 224.308 1.353 10 0 BDAERO CC[NH2+]C1CCN(Cc2ncccc2C)CC1 ZINC000071344186 170108139 /nfs/dbraw/zinc/10/81/39/170108139.db2.gz QHYRNXBONBWOIN-UHFFFAOYSA-N 1 0 233.359 1.964 10 0 BDAERO CCNC1(c2nc(C)cs2)CC[NH2+]CC1 ZINC000041061079 170108645 /nfs/dbraw/zinc/10/86/45/170108645.db2.gz ODABEYKRCKBYBD-UHFFFAOYSA-N 1 0 225.361 1.640 10 0 BDAERO CC[NH2+]CC1(CN2CCO[C@@H](C)C2)CCCC1 ZINC000051210497 170111037 /nfs/dbraw/zinc/11/10/37/170111037.db2.gz JHNUKKTVARPNCO-ZDUSSCGKSA-N 1 0 240.391 1.877 10 0 BDAERO CC[NH2+]CC1CCN(CC(=O)OC(C)C)CC1 ZINC000104412917 170111264 /nfs/dbraw/zinc/11/12/64/170111264.db2.gz XTUKQKCEVWMJNR-UHFFFAOYSA-N 1 0 242.363 1.260 10 0 BDAERO CC[NH2+]CC1CCN(C(=O)NC2CCC2)CC1 ZINC000160910880 170111297 /nfs/dbraw/zinc/11/12/97/170111297.db2.gz YEBLMWCEDYYJFO-UHFFFAOYSA-N 1 0 239.363 1.570 10 0 BDAERO CC[NH2+]CC(=O)c1ccccc1OCC ZINC000041613800 170111306 /nfs/dbraw/zinc/11/13/06/170111306.db2.gz UCINVLRYFCQODR-UHFFFAOYSA-N 1 0 207.273 1.878 10 0 BDAERO CC[NH2+]CCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000061287913 170111420 /nfs/dbraw/zinc/11/14/20/170111420.db2.gz IDJWCDGMWSSYEL-PHIMTYICSA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+]CCC(=O)Nc1ccc(OC)c(O)c1 ZINC000061292526 170112020 /nfs/dbraw/zinc/11/20/20/170112020.db2.gz YAZKPRPYWVLVTJ-UHFFFAOYSA-N 1 0 238.287 1.339 10 0 BDAERO CC[NH2+]CC1CCN(c2nccn2C)CC1 ZINC000053664485 170112140 /nfs/dbraw/zinc/11/21/40/170112140.db2.gz QDANUNOBDAXBIC-UHFFFAOYSA-N 1 0 222.336 1.246 10 0 BDAERO CC[NH2+]CCCn1c2ccccc2nc(C)c1=O ZINC000052099244 170113796 /nfs/dbraw/zinc/11/37/96/170113796.db2.gz JGZRPRIEJRTXBO-UHFFFAOYSA-N 1 0 245.326 1.705 10 0 BDAERO CC[NH2+]CCNC(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000236953983 170114835 /nfs/dbraw/zinc/11/48/35/170114835.db2.gz LKISUMWDYUEMEL-KBPBESRZSA-N 1 0 246.354 1.824 10 0 BDAERO CC[NH2+]CCOc1ccc(Cl)cn1 ZINC000051869019 170116439 /nfs/dbraw/zinc/11/64/39/170116439.db2.gz LEQJQXFMKPRNQW-UHFFFAOYSA-N 1 0 200.669 1.723 10 0 BDAERO CC[NH2+]CC[C@H](O)c1ccc(OC)c(F)c1 ZINC000049820797 170117110 /nfs/dbraw/zinc/11/71/10/170117110.db2.gz LQUSJEGUZZTJAA-NSHDSACASA-N 1 0 227.279 1.867 10 0 BDAERO CC[NH2+]CC[C@H](O)c1cccc(OC)c1 ZINC000049814565 170117136 /nfs/dbraw/zinc/11/71/36/170117136.db2.gz RBJQARGADOZKEW-LBPRGKRZSA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]CC[C@H](O)c1ccc(OC)cc1 ZINC000049814557 170117201 /nfs/dbraw/zinc/11/72/01/170117201.db2.gz LSXNYBCCNRZLBY-LBPRGKRZSA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]CCn1cnc2sccc2c1=O ZINC000042409948 170117901 /nfs/dbraw/zinc/11/79/01/170117901.db2.gz OAABJQCHDFAJTM-UHFFFAOYSA-N 1 0 223.301 1.068 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(C)CCc1ccccn1 ZINC000061228586 170118143 /nfs/dbraw/zinc/11/81/43/170118143.db2.gz IQJJIUXKBPHWDX-GFCCVEGCSA-N 1 0 249.358 1.328 10 0 BDAERO CC[NH2+]C[C@@H](C)c1nnc2n1CCCCC2 ZINC000061219746 170119152 /nfs/dbraw/zinc/11/91/52/170119152.db2.gz REDGPMGNEVNSGL-SNVBAGLBSA-N 1 0 222.336 1.718 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000053695801 170119845 /nfs/dbraw/zinc/11/98/45/170119845.db2.gz OCDUIWNIHXEQPP-ZDUSSCGKSA-N 1 0 248.374 1.919 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000032015999 170121944 /nfs/dbraw/zinc/12/19/44/170121944.db2.gz JNAJTWVSUVRSGV-QMMMGPOBSA-N 1 0 231.242 1.314 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1C ZINC000032101458 170121956 /nfs/dbraw/zinc/12/19/56/170121956.db2.gz DPHGBAKHWZBPPR-NSHDSACASA-N 1 0 243.734 1.998 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)NC1(CO)CCCCC1 ZINC000061268349 170122099 /nfs/dbraw/zinc/12/20/99/170122099.db2.gz ZYFDOZICURWAKR-NSHDSACASA-N 1 0 242.363 1.043 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cc(C)ccc1Cl ZINC000032101469 170122102 /nfs/dbraw/zinc/12/21/02/170122102.db2.gz PUPNDBVRKOHTTF-JTQLQIEISA-N 1 0 243.734 1.998 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000032015846 170122130 /nfs/dbraw/zinc/12/21/30/170122130.db2.gz WOQSPUKZKLMUPL-VIFPVBQESA-N 1 0 229.707 1.689 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2cnccn2)C1 ZINC000053695887 170122820 /nfs/dbraw/zinc/12/28/20/170122820.db2.gz IWUOCMNHMHDONQ-LLVKDONJSA-N 1 0 220.320 1.303 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1ncccn1 ZINC000053696514 170122837 /nfs/dbraw/zinc/12/28/37/170122837.db2.gz VRMNQLQXSZHCBV-SNVBAGLBSA-N 1 0 206.293 1.055 10 0 BDAERO CC[NH2+]C[C@H]1CCN(Cc2cnc(C)cn2)C1 ZINC000061321552 170122974 /nfs/dbraw/zinc/12/29/74/170122974.db2.gz HFJFSCGBACCRDC-GFCCVEGCSA-N 1 0 234.347 1.216 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc(OC)c(C)c1 ZINC000049814551 170123105 /nfs/dbraw/zinc/12/31/05/170123105.db2.gz IESYIZMNVMAQLV-NSHDSACASA-N 1 0 209.289 1.647 10 0 BDAERO CC[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000053302065 170123246 /nfs/dbraw/zinc/12/32/46/170123246.db2.gz HDWDEWLLIXPVGI-VIFPVBQESA-N 1 0 225.313 1.167 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1ccccc1OC ZINC000032012227 170123512 /nfs/dbraw/zinc/12/35/12/170123512.db2.gz GZIGZIWYRFSSCU-LBPRGKRZSA-N 1 0 209.289 1.512 10 0 BDAERO CC[NH2+]Cc1c(-n2ccnc2)nc2ccccn21 ZINC000035449773 170123551 /nfs/dbraw/zinc/12/35/51/170123551.db2.gz DYMDGDSMWCSNFR-UHFFFAOYSA-N 1 0 241.298 1.630 10 0 BDAERO CC[NH2+]Cc1ccc(OCCO)c(OCC)c1 ZINC000020934633 170127343 /nfs/dbraw/zinc/12/73/43/170127343.db2.gz NDUUKZAEPWXKAB-UHFFFAOYSA-N 1 0 239.315 1.566 10 0 BDAERO CC[NH2+]Cc1ccc(N2CCC[C@H]2C)nn1 ZINC000051398885 170127386 /nfs/dbraw/zinc/12/73/86/170127386.db2.gz IQJXSQXCUDTMAZ-SNVBAGLBSA-N 1 0 220.320 1.575 10 0 BDAERO CC[NH2+]Cc1cccnc1N(CC)CCOC ZINC000051487105 170129701 /nfs/dbraw/zinc/12/97/01/170129701.db2.gz NDJYABSPKKFFCK-UHFFFAOYSA-N 1 0 237.347 1.664 10 0 BDAERO CC[NH2+]Cc1nnnn1Cc1ccc(C)cc1 ZINC000054745703 170131917 /nfs/dbraw/zinc/13/19/17/170131917.db2.gz SMWAYYFMIDWZQW-UHFFFAOYSA-N 1 0 231.303 1.139 10 0 BDAERO CC[NH2+]Cc1sc(OC)nc1Cl ZINC000045206325 170132961 /nfs/dbraw/zinc/13/29/61/170132961.db2.gz DLVHJHFXGLOWMZ-UHFFFAOYSA-N 1 0 206.698 1.915 10 0 BDAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1Cc1ncccn1 ZINC000104420346 170140647 /nfs/dbraw/zinc/14/06/47/170140647.db2.gz IZABWFDVUVRQJG-STQMWFEESA-N 1 0 248.374 1.829 10 0 BDAERO CC[NH2+][C@@H](C)c1ccccc1OCC(=O)NC ZINC000034820954 170142246 /nfs/dbraw/zinc/14/22/46/170142246.db2.gz GXXIQIBCQCWPIR-JTQLQIEISA-N 1 0 236.315 1.482 10 0 BDAERO CC[NH2+][C@@H](CO)c1ccc(OC)c(CC)c1 ZINC000071531123 170145268 /nfs/dbraw/zinc/14/52/68/170145268.db2.gz LHGAJUVBNSKEIY-LBPRGKRZSA-N 1 0 223.316 1.901 10 0 BDAERO CCN[C@@H](CC[N@H+](C)C1CCCC1)C(=O)OC ZINC000062446394 170145528 /nfs/dbraw/zinc/14/55/28/170145528.db2.gz AVAKDDZTTJZMMD-LBPRGKRZSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+][C@@H]1CCCCC[C@H]1n1cncn1 ZINC000043991420 170150602 /nfs/dbraw/zinc/15/06/02/170150602.db2.gz HZFUFOKCPFJQMS-GHMZBOCLSA-N 1 0 208.309 1.761 10 0 BDAERO CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCOC[C@@H]1C ZINC000053858142 170150820 /nfs/dbraw/zinc/15/08/20/170150820.db2.gz ROELUMVACSOCBO-BFHYXJOUSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cccc(F)c2)C1=O ZINC000049647981 170151169 /nfs/dbraw/zinc/15/11/69/170151169.db2.gz JGOXQOHLEMQKRY-GFCCVEGCSA-N 1 0 236.290 1.536 10 0 BDAERO CC[NH2+][C@@H]1CCN(CCc2ccccc2)C1=O ZINC000049647715 170151185 /nfs/dbraw/zinc/15/11/85/170151185.db2.gz VRVDNDXDDFMXET-CYBMUJFWSA-N 1 0 232.327 1.440 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2nccn2C)C[C@@H]1C ZINC000071274154 170151731 /nfs/dbraw/zinc/15/17/31/170151731.db2.gz OPXVZADVUULVNV-NWDGAFQWSA-N 1 0 236.363 1.240 10 0 BDAERO CC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000037241598 170152316 /nfs/dbraw/zinc/15/23/16/170152316.db2.gz PVFYOCZXDPHGMR-CQSZACIVSA-N 1 0 218.344 1.913 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@@H]1n1cnc(C)c1C ZINC000051926703 170152920 /nfs/dbraw/zinc/15/29/20/170152920.db2.gz YCQNITPYFOKHGG-NEPJUHHUSA-N 1 0 223.320 1.439 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@@H]1n1nc(C)cc1C ZINC000043994734 170152978 /nfs/dbraw/zinc/15/29/78/170152978.db2.gz FGMGPSGEDORDFY-NEPJUHHUSA-N 1 0 223.320 1.439 10 0 BDAERO CC[NH2+][C@@H]1CC[S@@](=O)c2ccc(OC)cc21 ZINC000040975777 170154164 /nfs/dbraw/zinc/15/41/64/170154164.db2.gz UHASEIWVDXQDHY-BZNIZROVSA-N 1 0 239.340 1.857 10 0 BDAERO CC[NH2+][C@@]1(CO)CCSc2ccccc21 ZINC000038120215 170156483 /nfs/dbraw/zinc/15/64/83/170156483.db2.gz YHZXFSMEXKLKHN-GFCCVEGCSA-N 1 0 223.341 1.980 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N(CCO)C(CC)CC ZINC000061274260 170157236 /nfs/dbraw/zinc/15/72/36/170157236.db2.gz PTRARGNREIZZNG-LLVKDONJSA-N 1 0 244.379 1.384 10 0 BDAERO CC[NH2+][C@H](C)Cc1csc(CN(C)C)n1 ZINC000076793568 170158305 /nfs/dbraw/zinc/15/83/05/170158305.db2.gz FEAJRNOSFNXEGS-SECBINFHSA-N 1 0 227.377 1.745 10 0 BDAERO CC[NH2+][C@H](COC)Cc1nc(CC(C)C)no1 ZINC000104053037 170162484 /nfs/dbraw/zinc/16/24/84/170162484.db2.gz HCJRWMGBPCCDNA-JTQLQIEISA-N 1 0 241.335 1.435 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1N1CCCOCC1 ZINC000061918054 170167062 /nfs/dbraw/zinc/16/70/62/170167062.db2.gz RPSMELOLIBSKBX-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+][C@H]1CCC[C@H]1CN1CCO[C@@H](CC)C1 ZINC000053866698 170167323 /nfs/dbraw/zinc/16/73/23/170167323.db2.gz ADGLXLPUIQTUMG-IHRRRGAJSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@H]1CCN(CCc2ccncc2)C[C@@H]1C ZINC000049712958 170167475 /nfs/dbraw/zinc/16/74/75/170167475.db2.gz BXRPKCDARVXBJN-ZFWWWQNUSA-N 1 0 247.386 1.944 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc(C)c(F)c2)C1=O ZINC000049647700 170168011 /nfs/dbraw/zinc/16/80/11/170168011.db2.gz YYPLLGZLMSRKMB-LBPRGKRZSA-N 1 0 236.290 1.849 10 0 BDAERO CC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000035760559 170168512 /nfs/dbraw/zinc/16/85/12/170168512.db2.gz DIIWOOVUHWMFPE-JTQLQIEISA-N 1 0 225.313 1.515 10 0 BDAERO CC[C@H](CC(F)F)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000660148191 411546336 /nfs/dbraw/zinc/54/63/36/411546336.db2.gz MYFYVIPEDGYCCH-OPRDCNLKSA-N 1 0 237.290 1.095 10 0 BDAERO CC[NH2+][C@H]1C[C@H](C)S(=O)(=O)c2ccccc21 ZINC000035760613 170169610 /nfs/dbraw/zinc/16/96/10/170169610.db2.gz KAOVCPXFAMDGOZ-ONGXEEELSA-N 1 0 239.340 1.903 10 0 BDAERO CC[NH2+][C@](CC)(C(N)=O)c1ccc(CC)cc1 ZINC000037447488 170170378 /nfs/dbraw/zinc/17/03/78/170170378.db2.gz BIEFEWFIYIBYRP-AWEZNQCLSA-N 1 0 234.343 1.949 10 0 BDAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(C)cc1C ZINC000037447562 170170629 /nfs/dbraw/zinc/17/06/29/170170629.db2.gz OESWKBFACYARDJ-ZDUSSCGKSA-N 1 0 220.316 1.613 10 0 BDAERO CC[NH2+][C@]1(C(N)=O)CCCc2ccccc21 ZINC000037869577 170170861 /nfs/dbraw/zinc/17/08/61/170170861.db2.gz NUFYVPPGLSTIQV-CYBMUJFWSA-N 1 0 218.300 1.313 10 0 BDAERO CCNc1ccc(C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000061711602 170173900 /nfs/dbraw/zinc/17/39/00/170173900.db2.gz YQGPUDLFSDDHGO-LLVKDONJSA-N 1 0 221.304 1.080 10 0 BDAERO CCOC(=O)C1CCN(CC[NH2+]C(C)C)CC1 ZINC000042409450 170193309 /nfs/dbraw/zinc/19/33/09/170193309.db2.gz BIOUZJWWNPMLPS-UHFFFAOYSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)CC[N@H+](CCOC)[C@H](C)C1CC1 ZINC000042294947 170204864 /nfs/dbraw/zinc/20/48/64/170204864.db2.gz PTYNUUJXXUMDKM-LLVKDONJSA-N 1 0 243.347 1.687 10 0 BDAERO CCOC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000042294957 170205748 /nfs/dbraw/zinc/20/57/48/170205748.db2.gz VESARKZDGGSBPH-RYUDHWBXSA-N 1 0 241.331 1.583 10 0 BDAERO CCOC(=O)CC[NH2+]CCC(C)(C)C ZINC000045701693 170209536 /nfs/dbraw/zinc/20/95/36/170209536.db2.gz GADRRZKMWRRXLP-UHFFFAOYSA-N 1 0 201.310 1.965 10 0 BDAERO CCOC(=O)CC[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555926 170210300 /nfs/dbraw/zinc/21/03/00/170210300.db2.gz URRMRTOMQMXENW-LBPRGKRZSA-N 1 0 244.379 1.506 10 0 BDAERO CCOC(=O)CN(C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000103923521 170216236 /nfs/dbraw/zinc/21/62/36/170216236.db2.gz XANIEDQHITVDRX-ZYHUDNBSSA-N 1 0 240.347 1.141 10 0 BDAERO CCOC(=O)Cn1ccnc1C[NH2+]C(C)(C)C ZINC000051015531 170237481 /nfs/dbraw/zinc/23/74/81/170237481.db2.gz SUHGIAKIQQYIBD-UHFFFAOYSA-N 1 0 239.319 1.334 10 0 BDAERO CCOC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000037916195 170239043 /nfs/dbraw/zinc/23/90/43/170239043.db2.gz SXXARKFROTZFTE-QWRGUYRKSA-N 1 0 226.320 1.607 10 0 BDAERO CCOC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916192 170239134 /nfs/dbraw/zinc/23/91/34/170239134.db2.gz SXXARKFROTZFTE-GHMZBOCLSA-N 1 0 226.320 1.607 10 0 BDAERO CCOC(=O)N1CCC(NC(=[NH2+])C(C)C)CC1 ZINC000062989438 170239450 /nfs/dbraw/zinc/23/94/50/170239450.db2.gz WJRARIXKJJRQJC-UHFFFAOYSA-N 1 0 241.335 1.830 10 0 BDAERO CCOC(=O)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062037349 170242734 /nfs/dbraw/zinc/24/27/34/170242734.db2.gz HIGWAIOCWGYROK-RKDXNWHRSA-N 1 0 200.282 1.121 10 0 BDAERO CO[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000660245340 411558813 /nfs/dbraw/zinc/55/88/13/411558813.db2.gz OMHHRNBPRYNNTI-QJPTWQEYSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@H]([NH2+]CC1(O)CCSCC1)c1cn[nH]c1 ZINC000660272968 411562969 /nfs/dbraw/zinc/56/29/69/411562969.db2.gz UCOQKXSJGDQJPG-VIFPVBQESA-N 1 0 241.360 1.318 10 0 BDAERO CCOC(=O)[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000037964107 170279272 /nfs/dbraw/zinc/27/92/72/170279272.db2.gz NRVDHMWRTCQCSB-ZDUSSCGKSA-N 1 0 248.326 1.196 10 0 BDAERO CCOC(=O)c1ccc(NCC[NH2+]C2CC2)nc1 ZINC000054267888 170297339 /nfs/dbraw/zinc/29/73/39/170297339.db2.gz DBVPQRYCGXJKMB-UHFFFAOYSA-N 1 0 249.314 1.422 10 0 BDAERO CCOC(=O)c1ccc([C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000034946313 170298099 /nfs/dbraw/zinc/29/80/99/170298099.db2.gz DMIGPVCYWKGEJJ-GXTWGEPZSA-N 1 0 231.295 1.724 10 0 BDAERO CCOC(=O)c1cccnc1NCC[NH2+]C1CC1 ZINC000054267800 170300076 /nfs/dbraw/zinc/30/00/76/170300076.db2.gz MNSDWMHIHUKRGF-UHFFFAOYSA-N 1 0 249.314 1.422 10 0 BDAERO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)cs1 ZINC000083254826 170307405 /nfs/dbraw/zinc/30/74/05/170307405.db2.gz LFIOHMRRBGMFEO-MRVPVSSYSA-N 1 0 240.328 1.787 10 0 BDAERO CCOC(=O)c1sc(CCC[NH3+])nc1C ZINC000011887500 170310563 /nfs/dbraw/zinc/31/05/63/170310563.db2.gz YSASIGZJYCOJRH-UHFFFAOYSA-N 1 0 228.317 1.520 10 0 BDAERO CCOC(=O)c1sc(C(C)(C)[NH3+])nc1C ZINC000083356252 170310921 /nfs/dbraw/zinc/31/09/21/170310921.db2.gz UQXSWBAGJZAYID-UHFFFAOYSA-N 1 0 228.317 1.822 10 0 BDAERO CCOC(C[NH3+])(OCC)c1ccccn1 ZINC000079930499 170314368 /nfs/dbraw/zinc/31/43/68/170314368.db2.gz MTSYSCPESIOASP-UHFFFAOYSA-N 1 0 210.277 1.266 10 0 BDAERO CCOC1CC([NH2+][C@@H]2CCN(CC)C2)C1 ZINC000328325427 170329419 /nfs/dbraw/zinc/32/94/19/170329419.db2.gz FVUSNRGHRJGXPG-VOMCLLRMSA-N 1 0 212.337 1.238 10 0 BDAERO CCOC1CCN([C@@]2(C[NH3+])CCSC2)CC1 ZINC000040689148 170332231 /nfs/dbraw/zinc/33/22/31/170332231.db2.gz GRLPSDXUNSOUTA-GFCCVEGCSA-N 1 0 244.404 1.322 10 0 BDAERO CCOC1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000040689147 170332808 /nfs/dbraw/zinc/33/28/08/170332808.db2.gz GRLPSDXUNSOUTA-LBPRGKRZSA-N 1 0 244.404 1.322 10 0 BDAERO CCOC1CCN([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000040689311 170332850 /nfs/dbraw/zinc/33/28/50/170332850.db2.gz VHXCRSYSYGZXKK-NEPJUHHUSA-N 1 0 212.337 1.367 10 0 BDAERO CCOCC(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000035635231 170349058 /nfs/dbraw/zinc/34/90/58/170349058.db2.gz AIIUHFKKJAGKGW-JTQLQIEISA-N 1 0 236.315 1.942 10 0 BDAERO CCOCCCC[NH2+]CCN(CC)CCOC ZINC000053437005 170369009 /nfs/dbraw/zinc/36/90/09/170369009.db2.gz IXKQLVKCSZFRQQ-UHFFFAOYSA-N 1 0 246.395 1.361 10 0 BDAERO CCOCCC[NH2+]CCn1nc(C)c(C)c1C ZINC000053540493 170380750 /nfs/dbraw/zinc/38/07/50/170380750.db2.gz FFJUZDBIMIHSAO-UHFFFAOYSA-N 1 0 239.363 1.825 10 0 BDAERO CCOCCN(CC)c1c(C[NH3+])c(C)nn1C ZINC000104447333 170395565 /nfs/dbraw/zinc/39/55/65/170395565.db2.gz XVONDIHJOBETLR-UHFFFAOYSA-N 1 0 240.351 1.050 10 0 BDAERO CN1C[C@@H](C[NH2+]CC2CCCCC2)CC1=O ZINC000657694024 411580292 /nfs/dbraw/zinc/58/02/92/411580292.db2.gz JRGYJDGPZWPPEX-GFCCVEGCSA-N 1 0 224.348 1.635 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@H]1CC1(C)C ZINC000657695468 411581147 /nfs/dbraw/zinc/58/11/47/411581147.db2.gz MMEFXABYFBSGGK-HBNTYKKESA-N 1 0 224.348 1.489 10 0 BDAERO COc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000657695371 411581310 /nfs/dbraw/zinc/58/13/10/411581310.db2.gz ZIDNIWJHXLNMDY-LBPRGKRZSA-N 1 0 248.326 1.263 10 0 BDAERO Cn1nc(C[NH2+]C2CC(CO)C2)c2ccccc21 ZINC000657812087 411603799 /nfs/dbraw/zinc/60/37/99/411603799.db2.gz FYDDXTRCYVQBNG-UHFFFAOYSA-N 1 0 245.326 1.434 10 0 BDAERO OCC1CC([NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000657813192 411604223 /nfs/dbraw/zinc/60/42/23/411604223.db2.gz SGMZNNHDADNXCD-UHFFFAOYSA-N 1 0 245.244 1.964 10 0 BDAERO CCO[C@@H]1CCCN([C@@H](C[NH3+])c2cccnc2)C1 ZINC000042421716 170480401 /nfs/dbraw/zinc/48/04/01/170480401.db2.gz NCNPSUYYVCOEBH-KGLIPLIRSA-N 1 0 249.358 1.582 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000660756838 411621194 /nfs/dbraw/zinc/62/11/94/411621194.db2.gz DVCPKZATBIHUML-OPRDCNLKSA-N 1 0 235.274 1.113 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCSC(C)(C)C1 ZINC000133297398 411703766 /nfs/dbraw/zinc/70/37/66/411703766.db2.gz HOSCXZOPDKWVDU-SNVBAGLBSA-N 1 0 244.404 1.714 10 0 BDAERO Cc1ccc(N2C[C@H]3CCCC[N@H+]3C[C@H]2C)nn1 ZINC000663630630 411711585 /nfs/dbraw/zinc/71/15/85/411711585.db2.gz XJBKJWCPYVTUME-CHWSQXEVSA-N 1 0 246.358 1.848 10 0 BDAERO CCOc1ccc(CN(C)C(=O)C2C[NH2+]C2)cc1 ZINC000091415150 170543292 /nfs/dbraw/zinc/54/32/92/170543292.db2.gz OAXYJEPOJUQZPK-UHFFFAOYSA-N 1 0 248.326 1.263 10 0 BDAERO CCOc1cccc(OC[C@](C)(O)C[NH3+])c1 ZINC000019668011 170583573 /nfs/dbraw/zinc/58/35/73/170583573.db2.gz SEFGKRGICVMFLN-GFCCVEGCSA-N 1 0 225.288 1.174 10 0 BDAERO CCOc1cccc([C@H](CC[NH3+])C(=O)NC)c1 ZINC000076618925 170585579 /nfs/dbraw/zinc/58/55/79/170585579.db2.gz BVLWUCOKKMTQNT-LBPRGKRZSA-N 1 0 236.315 1.264 10 0 BDAERO CCOc1ncccc1NC(=O)CC[NH2+]C1CC1 ZINC000037613042 170604147 /nfs/dbraw/zinc/60/41/47/170604147.db2.gz ZNQZWCAGWIXBBJ-UHFFFAOYSA-N 1 0 249.314 1.561 10 0 BDAERO CC[C@@H](C)C[N@@H+]1CCc2ncnc(OC)c2C1 ZINC000119658133 170705609 /nfs/dbraw/zinc/70/56/09/170705609.db2.gz ABQHIDXGYHQKLA-SNVBAGLBSA-N 1 0 235.331 1.889 10 0 BDAERO CC[C@@](C)(O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661630387 411823724 /nfs/dbraw/zinc/82/37/24/411823724.db2.gz ZWTKETDQYBNZEF-NOOOWODRSA-N 1 0 215.337 1.096 10 0 BDAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000020364017 170745469 /nfs/dbraw/zinc/74/54/69/170745469.db2.gz KIUKCBDVFPVEBU-OUAUKWLOSA-N 1 0 214.353 1.924 10 0 BDAERO CC[N@@H+]1CCCOC[C@@H]1c1ccc(N)nc1 ZINC000616599841 411857178 /nfs/dbraw/zinc/85/71/78/411857178.db2.gz QLMZMKRBUHLMBO-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@@H](n2ccc(N)n2)C1 ZINC000616621730 411859684 /nfs/dbraw/zinc/85/96/84/411859684.db2.gz WVNGKAQQZXUVFK-SNVBAGLBSA-N 1 0 222.336 1.901 10 0 BDAERO C[N@@H+]1CCCO[C@H](c2ccnc(N)c2)C1 ZINC000616650836 411890298 /nfs/dbraw/zinc/89/02/98/411890298.db2.gz HSBZGHLHEGDUKC-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO CC[C@@H](C[NH2+]C(C)C)N(CCOC)CCOC ZINC000052571355 170827669 /nfs/dbraw/zinc/82/76/69/170827669.db2.gz SFEYWZLSZHSXBR-ZDUSSCGKSA-N 1 0 246.395 1.358 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccc(N)nc1 ZINC000616646112 411871264 /nfs/dbraw/zinc/87/12/64/411871264.db2.gz OENOQPLYZHJFNW-GFCCVEGCSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@H](c2c[nH]nc2N)C1 ZINC000616604522 411872223 /nfs/dbraw/zinc/87/22/23/411872223.db2.gz QSPYBESSNAKOTL-JTQLQIEISA-N 1 0 222.336 1.970 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H](c2ccnc(N)c2)C1 ZINC000616614832 411873021 /nfs/dbraw/zinc/87/30/21/411873021.db2.gz WQQWWQKIZJUXGR-LLVKDONJSA-N 1 0 205.305 1.862 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(O)c1 ZINC000037005204 170863821 /nfs/dbraw/zinc/86/38/21/170863821.db2.gz CXLTYYKCSMVNMC-LDYMZIIASA-N 1 0 222.288 1.307 10 0 BDAERO CC[C@@H]([NH3+])Cc1noc(-c2ncccc2C)n1 ZINC000054184456 170867084 /nfs/dbraw/zinc/86/70/84/170867084.db2.gz ZJIJAKJGAPCAFJ-SECBINFHSA-N 1 0 232.287 1.720 10 0 BDAERO CC[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000129186067 170880911 /nfs/dbraw/zinc/88/09/11/170880911.db2.gz KCUPVOVKUUIFKI-GXSJLCMTSA-N 1 0 212.337 1.393 10 0 BDAERO Nc1cc([C@H]2CCCC[N@H+](CCO)C2)ccn1 ZINC000616603934 411950336 /nfs/dbraw/zinc/95/03/36/411950336.db2.gz KHFNKHISMDFPNX-LBPRGKRZSA-N 1 0 235.331 1.226 10 0 BDAERO Cc1cccc(NC[C@H]2CC(=O)N(C)C2)[nH+]1 ZINC000664456259 411962975 /nfs/dbraw/zinc/96/29/75/411962975.db2.gz BUSUUZZJZVSRKE-SNVBAGLBSA-N 1 0 219.288 1.280 10 0 BDAERO CC[C@@H]1CCCN1c1c(C[NH3+])c(C)nn1C ZINC000037914765 170984962 /nfs/dbraw/zinc/98/49/62/170984962.db2.gz QZBTUGDKNXOZDQ-SNVBAGLBSA-N 1 0 222.336 1.566 10 0 BDAERO CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000082350209 171005491 /nfs/dbraw/zinc/00/54/91/171005491.db2.gz NRDKNHCJVIZZSP-NXEZZACHSA-N 1 0 228.336 1.981 10 0 BDAERO CC[C@@H]1CCN(C[C@@H]2CCCO2)CC[NH2+]1 ZINC000049660737 171010929 /nfs/dbraw/zinc/01/09/29/171010929.db2.gz FQBDDZRZZRTTHH-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@@H]1CCN(c2cccnc2)CC[NH2+]1 ZINC000049660781 171014808 /nfs/dbraw/zinc/01/48/08/171014808.db2.gz KLMSNZMSFZGVKF-LLVKDONJSA-N 1 0 205.305 1.660 10 0 BDAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](CN2CCO[C@H](C)C2)C1 ZINC000053862089 171055530 /nfs/dbraw/zinc/05/55/30/171055530.db2.gz ONGITNLTCUEWHQ-MQYQWHSLSA-N 1 0 240.391 1.861 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C)[NH2+]2)CCO1 ZINC000036770499 171067971 /nfs/dbraw/zinc/06/79/71/171067971.db2.gz PMTJUKQQUDUCFA-TUAOUCFPSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@@H]1CN(C2=NCCS2)[C@H](C)C[NH2+]1 ZINC000083347594 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171341919 /nfs/dbraw/zinc/34/19/19/171341919.db2.gz IKNMEISMESLTIX-ONGXEEELSA-N 1 0 237.299 1.837 10 0 BDAERO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000309883779 171383027 /nfs/dbraw/zinc/38/30/27/171383027.db2.gz WZNMSNRKNAZBAE-UMNHJUIQSA-N 1 0 225.336 1.857 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCc2ncccc2C1 ZINC000037643336 171393996 /nfs/dbraw/zinc/39/39/96/171393996.db2.gz OTCFZIRFSNNKQB-GWCFXTLKSA-N 1 0 247.342 1.340 10 0 BDAERO CC[C@H](C[NH3+])NC(=O)Nc1ccccc1OC ZINC000070943754 171430841 /nfs/dbraw/zinc/43/08/41/171430841.db2.gz GCUFTRWIQTUHFG-SECBINFHSA-N 1 0 237.303 1.554 10 0 BDAERO [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000662444609 412178779 /nfs/dbraw/zinc/17/87/79/412178779.db2.gz JMWSLGKCPJTVEM-CKYFFXLPSA-N 1 0 246.310 1.364 10 0 BDAERO CC[C@H]([NH3+])CSc1nnc(C)s1 ZINC000002538851 171485403 /nfs/dbraw/zinc/48/54/03/171485403.db2.gz RKQMXDONKWRULN-LURJTMIESA-N 1 0 203.336 1.676 10 0 BDAERO CC[C@H]([NH3+])Cc1ccnc(-c2cnccn2)n1 ZINC000054834976 171486086 /nfs/dbraw/zinc/48/60/86/171486086.db2.gz ARMLWXSZMAKYQI-VIFPVBQESA-N 1 0 229.287 1.213 10 0 BDAERO CC[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2C ZINC000026513648 171490798 /nfs/dbraw/zinc/49/07/98/171490798.db2.gz GQSQXRJFEIUOFT-JTQLQIEISA-N 1 0 204.273 1.615 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662503441 412197599 /nfs/dbraw/zinc/19/75/99/412197599.db2.gz TXCUJKOBQAGATH-DTWKUNHWSA-N 1 0 208.305 1.173 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000662515816 412201819 /nfs/dbraw/zinc/20/18/19/412201819.db2.gz XYIDBBNAXLPKPZ-RKDXNWHRSA-N 1 0 225.292 1.158 10 0 BDAERO CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH3+] ZINC000083591941 171503822 /nfs/dbraw/zinc/50/38/22/171503822.db2.gz RWOZIJNSMJSMOL-SFYZADRCSA-N 1 0 202.298 1.637 10 0 BDAERO CC(C)(F)CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000665261794 412204717 /nfs/dbraw/zinc/20/47/17/412204717.db2.gz LRXPMOBKIHLJGF-JTQLQIEISA-N 1 0 202.317 1.856 10 0 BDAERO CC[C@H](O)CC[NH2+]CC1CCOCC1 ZINC000124336982 171560767 /nfs/dbraw/zinc/56/07/67/171560767.db2.gz GKDHZBTXLJZOKJ-NSHDSACASA-N 1 0 201.310 1.164 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCCc1ccoc1 ZINC000662664174 412262523 /nfs/dbraw/zinc/26/25/23/412262523.db2.gz SOXUJFGEIWBSOT-JTQLQIEISA-N 1 0 210.277 1.066 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000662667173 412265918 /nfs/dbraw/zinc/26/59/18/412265918.db2.gz ZECHMBFYRQAUAW-WUHRBBMRSA-N 1 0 238.375 1.912 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CCF)C2)C1 ZINC000662688236 412272333 /nfs/dbraw/zinc/27/23/33/412272333.db2.gz NOMINHNDXDPIOR-SDDRHHMPSA-N 1 0 242.338 1.712 10 0 BDAERO COc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1C ZINC000662571468 412224735 /nfs/dbraw/zinc/22/47/35/412224735.db2.gz PGFORUDRHVMOOX-SKDRFNHKSA-N 1 0 248.326 1.423 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC(C2CCC2)CC1 ZINC000662630001 412248812 /nfs/dbraw/zinc/24/88/12/412248812.db2.gz GNFXYXQCFWDWMY-CYBMUJFWSA-N 1 0 236.359 1.635 10 0 BDAERO COC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000662630220 412250604 /nfs/dbraw/zinc/25/06/04/412250604.db2.gz YSPYSKNIECTZFA-NOOOWODRSA-N 1 0 242.363 1.149 10 0 BDAERO CC[C@@H](C)CCNC(=O)C1(C[NH3+])CCOCC1 ZINC000662855312 412326016 /nfs/dbraw/zinc/32/60/16/412326016.db2.gz HGXZSMNPGKENNU-LLVKDONJSA-N 1 0 242.363 1.294 10 0 BDAERO Cc1cn(C)nc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000662970572 412360853 /nfs/dbraw/zinc/36/08/53/412360853.db2.gz LWOULKMNBPWQNP-SECBINFHSA-N 1 0 224.308 1.040 10 0 BDAERO CN(C(=O)CC1CC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978940 412361448 /nfs/dbraw/zinc/36/14/48/412361448.db2.gz JTQDNDLMYLJGTK-ZETCQYMHSA-N 1 0 224.226 1.135 10 0 BDAERO CN(C(=O)c1ccncc1)[C@H](C[NH3+])C(F)(F)F ZINC000662980275 412362875 /nfs/dbraw/zinc/36/28/75/412362875.db2.gz GJBAJIPTEFAQKF-MRVPVSSYSA-N 1 0 247.220 1.043 10 0 BDAERO C[NH2+]CCOCCNc1cc(C(C)C)ncn1 ZINC000630531452 412292072 /nfs/dbraw/zinc/29/20/72/412292072.db2.gz WVJCLEZNSXAGPV-UHFFFAOYSA-N 1 0 238.335 1.248 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)C1CC1 ZINC000132988689 412385026 /nfs/dbraw/zinc/38/50/26/412385026.db2.gz OSNGWIXSURWLGU-KOLCDFICSA-N 1 0 212.337 1.522 10 0 BDAERO CCCc1nccnc1NC[C@H]1CC[NH2+]C1 ZINC000663272414 412404174 /nfs/dbraw/zinc/40/41/74/412404174.db2.gz ODJZEAYYICTFOW-JTQLQIEISA-N 1 0 220.320 1.451 10 0 BDAERO CCCc1nccnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000663273113 412404577 /nfs/dbraw/zinc/40/45/77/412404577.db2.gz XINIHSYTUWGSQG-AWEZNQCLSA-N 1 0 246.358 1.619 10 0 BDAERO Cc1ccnc(NCC23CC(C2)C[NH2+]3)c1 ZINC000663275014 412405337 /nfs/dbraw/zinc/40/53/37/412405337.db2.gz YTXPSURIQSTPMN-UHFFFAOYSA-N 1 0 203.289 1.554 10 0 BDAERO CCCc1nccnc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000663275314 412405429 /nfs/dbraw/zinc/40/54/29/412405429.db2.gz WAPPUAVCVMRJJQ-MNOVXSKESA-N 1 0 234.347 1.968 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nc(C(F)(F)F)ns1 ZINC000663278026 412407180 /nfs/dbraw/zinc/40/71/80/412407180.db2.gz BKTBXQBILRXIAM-SCSAIBSYSA-N 1 0 240.254 1.577 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ccc(Br)cn1 ZINC000663279488 412408348 /nfs/dbraw/zinc/40/83/48/412408348.db2.gz RIUTXXNFTCQDKW-ZETCQYMHSA-N 1 0 244.136 1.864 10 0 BDAERO CCc1ccc(S(=O)(=O)CCCC[NH3+])cc1 ZINC000020223525 171828160 /nfs/dbraw/zinc/82/81/60/171828160.db2.gz QPAACPLSMISLTI-UHFFFAOYSA-N 1 0 241.356 1.762 10 0 BDAERO CCc1ccc([C@@H](C[NH3+])CC(=O)OC)cc1 ZINC000057513838 171833511 /nfs/dbraw/zinc/83/35/11/171833511.db2.gz LHSCBRNKSHXBBL-GFCCVEGCSA-N 1 0 221.300 1.854 10 0 BDAERO CCc1ccc([C@@]2(C)OC[C@H](C[NH3+])O2)cc1 ZINC000049818431 171836813 /nfs/dbraw/zinc/83/68/13/171836813.db2.gz OLRXMLCMGXRGKE-STQMWFEESA-N 1 0 221.300 1.796 10 0 BDAERO CCc1nc(CC[NH2+][C@H](CC)COC)no1 ZINC000129290593 171970695 /nfs/dbraw/zinc/97/06/95/171970695.db2.gz PWPHJSHZBUEUGO-SECBINFHSA-N 1 0 227.308 1.189 10 0 BDAERO CCc1nc(COc2ccc(CC[NH3+])cc2)no1 ZINC000049335683 171989850 /nfs/dbraw/zinc/98/98/50/171989850.db2.gz RBDWXFIJYZWQGM-UHFFFAOYSA-N 1 0 247.298 1.712 10 0 BDAERO CCc1nc([C@]2(N)CCOc3ccccc32)no1 ZINC000036762807 172009140 /nfs/dbraw/zinc/00/91/40/172009140.db2.gz PYKJRMDJFCXCSL-ZDUSSCGKSA-N 1 0 245.282 1.617 10 0 BDAERO CCc1ncc(C[NH2+]Cc2cn[nH]c2)s1 ZINC000038006430 172019270 /nfs/dbraw/zinc/01/92/70/172019270.db2.gz IJDBTLWVKCSENR-UHFFFAOYSA-N 1 0 222.317 1.718 10 0 BDAERO CCc1nnc(C[NH2+][C@H]2CCC[C@H]2C)n1C ZINC000309953719 172053033 /nfs/dbraw/zinc/05/30/33/172053033.db2.gz HIJFADQNYURYKG-ZJUUUORDSA-N 1 0 222.336 1.656 10 0 BDAERO CCc1nnc(COc2ccc(CC[NH3+])cc2)o1 ZINC000037720399 172055135 /nfs/dbraw/zinc/05/51/35/172055135.db2.gz QMQXBEYHZGJURD-UHFFFAOYSA-N 1 0 247.298 1.712 10 0 BDAERO CCn1cc(CC2([NH3+])Cc3ccccc3C2)cn1 ZINC000050541629 172159239 /nfs/dbraw/zinc/15/92/39/172159239.db2.gz OOGUYBNRNSFJHV-UHFFFAOYSA-N 1 0 241.338 1.942 10 0 BDAERO CCn1cc(COC2CCC([NH3+])CC2)cn1 ZINC000055143206 172176756 /nfs/dbraw/zinc/17/67/56/172176756.db2.gz NLJMAIVJZZQTMZ-UHFFFAOYSA-N 1 0 223.320 1.690 10 0 BDAERO CCn1cccc1C[NH2+]CC1(C)COC1 ZINC000087197270 172207565 /nfs/dbraw/zinc/20/75/65/172207565.db2.gz VKKGQLZGZGORTE-UHFFFAOYSA-N 1 0 208.305 1.634 10 0 BDAERO CCn1cccc1C[NH2+]CCN1CCCC1 ZINC000085608463 172207632 /nfs/dbraw/zinc/20/76/32/172207632.db2.gz CPUNRNGUGXWZFX-UHFFFAOYSA-N 1 0 221.348 1.693 10 0 BDAERO CCn1ccnc1N1CCC[C@H](C[NH2+]C)C1 ZINC000050614382 172225277 /nfs/dbraw/zinc/22/52/77/172225277.db2.gz QDSNDTRQYIVRKX-LLVKDONJSA-N 1 0 222.336 1.339 10 0 BDAERO CCn1cc[nH+]c1NC1(CO)CCCC1 ZINC000053070868 172225399 /nfs/dbraw/zinc/22/53/99/172225399.db2.gz IWQDKNOPXSDWMM-UHFFFAOYSA-N 1 0 209.293 1.620 10 0 BDAERO CCn1ccnc1N1CCCC[C@@H]1C[NH2+]C ZINC000053706780 172226007 /nfs/dbraw/zinc/22/60/07/172226007.db2.gz BNIOCBUWMLXEBV-LLVKDONJSA-N 1 0 222.336 1.481 10 0 BDAERO CCn1ccnc1N1CCC([NH2+]C)CC1 ZINC000050607555 172226046 /nfs/dbraw/zinc/22/60/46/172226046.db2.gz FACWZFWHBIZGGU-UHFFFAOYSA-N 1 0 208.309 1.091 10 0 BDAERO CN(C(=O)C[NH3+])c1ccc(F)c(Cl)c1 ZINC000020262012 172308422 /nfs/dbraw/zinc/30/84/22/172308422.db2.gz VHVZRONMQURTLK-UHFFFAOYSA-N 1 0 216.643 1.401 10 0 BDAERO CN(C(=O)NC1CC1)c1ccc(C[NH3+])cc1 ZINC000054456957 172317937 /nfs/dbraw/zinc/31/79/37/172317937.db2.gz KRUXYRXUQDQYAT-UHFFFAOYSA-N 1 0 219.288 1.454 10 0 BDAERO CN(C(=O)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000037470094 172342694 /nfs/dbraw/zinc/34/26/94/172342694.db2.gz SMNQVMHCEBQEHE-LBPRGKRZSA-N 1 0 218.300 1.511 10 0 BDAERO CN(C)C(=O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020038125 172369511 /nfs/dbraw/zinc/36/95/11/172369511.db2.gz HSWFZYXUILGZRR-UHFFFAOYSA-N 1 0 236.359 1.633 10 0 BDAERO CN(C)c1cc(F)c(CC[NH3+])cc1F ZINC000075845469 172544945 /nfs/dbraw/zinc/54/49/45/172544945.db2.gz FSXKSBDJIHYQAC-UHFFFAOYSA-N 1 0 200.232 1.532 10 0 BDAERO CN(CCC[NH3+])c1cnc2ccccc2n1 ZINC000052017273 172704174 /nfs/dbraw/zinc/70/41/74/172704174.db2.gz KSKFVDXFCZBMHS-UHFFFAOYSA-N 1 0 216.288 1.415 10 0 BDAERO CN(Cc1cccnc1)c1cc(C[NH3+])ccn1 ZINC000036770716 172885223 /nfs/dbraw/zinc/88/52/23/172885223.db2.gz BLHGXCABOKZQLG-UHFFFAOYSA-N 1 0 228.299 1.572 10 0 BDAERO CN(c1ccccc1)c1nc[nH+]c(NN)c1N ZINC000040757784 172950016 /nfs/dbraw/zinc/95/00/16/172950016.db2.gz IYKZQLIRGZCPAY-UHFFFAOYSA-N 1 0 230.275 1.112 10 0 BDAERO C[NH+]1CCC2(CC1)CC(=O)c1cc(O)ccc1O2 ZINC000021522868 173001023 /nfs/dbraw/zinc/00/10/23/173001023.db2.gz ZYNJJRORADXFRX-UHFFFAOYSA-N 1 0 247.294 1.822 10 0 BDAERO C[NH+]1CCC(c2noc3c2CCN3)CC1 ZINC000003704183 173001045 /nfs/dbraw/zinc/00/10/45/173001045.db2.gz QUSZVZHWQZMYCY-UHFFFAOYSA-N 1 0 207.277 1.452 10 0 BDAERO C[NH+]1CCC2(COc3c2cccc3O)CC1 ZINC000029481386 173001627 /nfs/dbraw/zinc/00/16/27/173001627.db2.gz YNRDWVIYBCVSGZ-UHFFFAOYSA-N 1 0 219.284 1.748 10 0 BDAERO C[NH+]1CCC(n2ncc(Cl)c2N)CC1 ZINC000043665208 173001917 /nfs/dbraw/zinc/00/19/17/173001917.db2.gz DTMGWSANYDAMEX-UHFFFAOYSA-N 1 0 214.700 1.385 10 0 BDAERO C[N@@H+]1CCCN(C(=O)c2ccc(O)cc2)CC1 ZINC000020247150 173014294 /nfs/dbraw/zinc/01/42/94/173014294.db2.gz VHZHJQJHHVPHRL-UHFFFAOYSA-N 1 0 234.299 1.170 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2ccc(F)cn2)C1 ZINC000041045456 173021525 /nfs/dbraw/zinc/02/15/25/173021525.db2.gz IJEKTOPIBTXGLV-SNVBAGLBSA-N 1 0 209.268 1.727 10 0 BDAERO C[N@@H+]1CCC[C@H](CNc2cccnc2)C1 ZINC000054239499 173042765 /nfs/dbraw/zinc/04/27/65/173042765.db2.gz BFGKRRCTJDKPPZ-LLVKDONJSA-N 1 0 205.305 1.835 10 0 BDAERO C[N@H+](C[C@H](O)C(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000336721918 173042965 /nfs/dbraw/zinc/04/29/65/173042965.db2.gz XRKZAEXRZSVLCL-STQMWFEESA-N 1 0 242.407 1.667 10 0 BDAERO C[N@@H+]1CCC[C@H]1COc1ccc(CO)nc1 ZINC000026570558 173056446 /nfs/dbraw/zinc/05/64/46/173056446.db2.gz IQFQICCQQUXBPA-NSHDSACASA-N 1 0 222.288 1.047 10 0 BDAERO C[N@@H+]1CCC[C@H]1COc1ccc(F)nc1 ZINC000026567087 173056940 /nfs/dbraw/zinc/05/69/40/173056940.db2.gz MVBZOPMOPRIBJF-VIFPVBQESA-N 1 0 210.252 1.694 10 0 BDAERO C[NH+]1CCN(CC[C@H](O)c2cccs2)CC1 ZINC000041149386 173082459 /nfs/dbraw/zinc/08/24/59/173082459.db2.gz COAKBDUCYHQISG-NSHDSACASA-N 1 0 240.372 1.419 10 0 BDAERO C[NH+]1CCN(Cc2nc(N)ccc2Cl)CC1 ZINC000061630658 173089611 /nfs/dbraw/zinc/08/96/11/173089611.db2.gz YUROJGRAGPGRHV-UHFFFAOYSA-N 1 0 240.738 1.065 10 0 BDAERO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC23CCCC3)C1 ZINC000336327428 173110063 /nfs/dbraw/zinc/11/00/63/173110063.db2.gz FSOSOAXPLLWAGR-NEPJUHHUSA-N 1 0 236.359 1.777 10 0 BDAERO C[N@@H+]1CC[C@@H](CNC(=O)c2sccc2N)C1 ZINC000040305658 173115416 /nfs/dbraw/zinc/11/54/16/173115416.db2.gz VBAXTDWYUYUQAW-QMMMGPOBSA-N 1 0 239.344 1.012 10 0 BDAERO C[N@@H+]1CC[C@@H](CNC2N=NC(=S)S2)C1 ZINC000037485210 173117276 /nfs/dbraw/zinc/11/72/76/173117276.db2.gz CJFQVMNPFFMSLO-LURJTMIESA-N 1 0 230.362 1.190 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2cccc(F)n2)C1 ZINC000040712229 173118576 /nfs/dbraw/zinc/11/85/76/173118576.db2.gz CUKAVGVPQZYVGS-VIFPVBQESA-N 1 0 209.268 1.584 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cccnc2Cl)C1 ZINC000061985445 173125111 /nfs/dbraw/zinc/12/51/11/173125111.db2.gz WVQUIIIBOSGKMG-MRVPVSSYSA-N 1 0 211.696 1.851 10 0 BDAERO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC23CCCC3)C1 ZINC000336327429 173141747 /nfs/dbraw/zinc/14/17/47/173141747.db2.gz FSOSOAXPLLWAGR-NWDGAFQWSA-N 1 0 236.359 1.777 10 0 BDAERO CN(C[C@@H](O)c1ccccc1)C[C@H]1CC[N@H+](C)C1 ZINC000250586637 173142453 /nfs/dbraw/zinc/14/24/53/173142453.db2.gz GSMUOOFCEJQIFU-DZGCQCFKSA-N 1 0 248.370 1.604 10 0 BDAERO C[N@@H+]1CC[C@H](C(=O)Nc2ccccc2N)C1 ZINC000037758695 173143430 /nfs/dbraw/zinc/14/34/30/173143430.db2.gz SYLCVFQTXMEDEX-VIFPVBQESA-N 1 0 219.288 1.159 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2nccnc2Cl)C1 ZINC000043537859 173146731 /nfs/dbraw/zinc/14/67/31/173146731.db2.gz VTANOOLGOCTRKF-MRVPVSSYSA-N 1 0 226.711 1.494 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ccccc2N)C1 ZINC000037484597 173147233 /nfs/dbraw/zinc/14/72/33/173147233.db2.gz ZTJSYZKWYQCUSM-SNVBAGLBSA-N 1 0 205.305 1.632 10 0 BDAERO CN1C[C@H]([NH2+][C@H]2CCC[C@H]2CCF)CC1=O ZINC000309979568 173196470 /nfs/dbraw/zinc/19/64/70/173196470.db2.gz VNTLDRDDPQBEHR-AXFHLTTASA-N 1 0 228.311 1.335 10 0 BDAERO CN1N=C(CC[NH3+])C[C@H]1c1cccs1 ZINC000041143915 173204578 /nfs/dbraw/zinc/20/45/78/173204578.db2.gz NQMCSICUFDTXAB-VIFPVBQESA-N 1 0 209.318 1.830 10 0 BDAERO CN1c2ccc(F)cc2C[C@@H]1C1=[NH+]CCN1 ZINC000029339871 173208456 /nfs/dbraw/zinc/20/84/56/173208456.db2.gz NSRZNUWGDARAEO-LLVKDONJSA-N 1 0 219.263 1.188 10 0 BDAERO CN1c2ccc(F)cc2C[C@H]1C1=[NH+]CCN1 ZINC000029339874 173208896 /nfs/dbraw/zinc/20/88/96/173208896.db2.gz NSRZNUWGDARAEO-NSHDSACASA-N 1 0 219.263 1.188 10 0 BDAERO CNC(=[NH2+])N(C)Cc1ccccc1OC ZINC000052018785 173209146 /nfs/dbraw/zinc/20/91/46/173209146.db2.gz QDHMOTWBKJHFIJ-UHFFFAOYSA-N 1 0 207.277 1.281 10 0 BDAERO CNC(=[NH2+])NCc1cnc(Cl)s1 ZINC000090505206 173210252 /nfs/dbraw/zinc/21/02/52/173210252.db2.gz MHIUXKNNQDINSL-UHFFFAOYSA-N 1 0 204.686 1.040 10 0 BDAERO CNC(=O)CN(C)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043034699 173269335 /nfs/dbraw/zinc/26/93/35/173269335.db2.gz XQNPWMYATUEBEW-BXUZGUMPSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000037207632 173277954 /nfs/dbraw/zinc/27/79/54/173277954.db2.gz SZSGZEGMJXRCKX-LLVKDONJSA-N 1 0 220.316 1.700 10 0 BDAERO CNC(=O)COc1ccccc1C[NH2+]C(C)C ZINC000034658978 173279749 /nfs/dbraw/zinc/27/97/49/173279749.db2.gz UZXIBJAADMRUII-UHFFFAOYSA-N 1 0 236.315 1.309 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037935061 173295041 /nfs/dbraw/zinc/29/50/41/173295041.db2.gz OAWHVDMHPKWIDI-LLVKDONJSA-N 1 0 234.343 1.688 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718575 173295329 /nfs/dbraw/zinc/29/53/29/173295329.db2.gz CFZGZNOOIDGZGL-MRVPVSSYSA-N 1 0 242.269 1.231 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000042560263 173295501 /nfs/dbraw/zinc/29/55/01/173295501.db2.gz WQBKMAKJVIDVSL-RKDXNWHRSA-N 1 0 222.288 1.177 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc(C[C@H](C)[NH3+])cc1 ZINC000037723816 173295922 /nfs/dbraw/zinc/29/59/22/173295922.db2.gz SGKALCLADCWNNO-VHSXEESVSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@@H](C)Oc1cccc([C@H](C)[NH3+])c1 ZINC000020419740 173296175 /nfs/dbraw/zinc/29/61/75/173296175.db2.gz HJSFYMFBCRXQHG-DTWKUNHWSA-N 1 0 222.288 1.220 10 0 BDAERO CNC(=O)[C@@H](CC(C)C)[NH2+]CC1CCOCC1 ZINC000052178394 173296290 /nfs/dbraw/zinc/29/62/90/173296290.db2.gz PIBOANRGJZYTBE-GFCCVEGCSA-N 1 0 242.363 1.163 10 0 BDAERO CNC(=O)[C@H]([NH2+]C)c1ccc(Cl)s1 ZINC000082537002 173304938 /nfs/dbraw/zinc/30/49/38/173304938.db2.gz YNQHWRBETSXZDN-SSDOTTSWSA-N 1 0 218.709 1.408 10 0 BDAERO CNC(=O)[C@H]1CCC[N@@H+]1[C@H](C)c1cccc(N)c1 ZINC000042391380 173307742 /nfs/dbraw/zinc/30/77/42/173307742.db2.gz OJWSIRFCASDKKU-ZWNOBZJWSA-N 1 0 247.342 1.540 10 0 BDAERO CNC(=O)c1c(C[NH3+])cccc1OC1CC1 ZINC000095738072 173309261 /nfs/dbraw/zinc/30/92/61/173309261.db2.gz OYELNVAPEWRYBK-UHFFFAOYSA-N 1 0 220.272 1.046 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1ccncc1 ZINC000061300483 173318016 /nfs/dbraw/zinc/31/80/16/173318016.db2.gz GEGDMGAGFUWOGB-UHFFFAOYSA-N 1 0 221.304 1.038 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1cccc(C)n1 ZINC000061319215 173318275 /nfs/dbraw/zinc/31/82/75/173318275.db2.gz IOIGRSHOQQCIEW-UHFFFAOYSA-N 1 0 221.304 1.004 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cc(F)cc(F)c1 ZINC000061300229 173318429 /nfs/dbraw/zinc/31/84/29/173318429.db2.gz RZBCAMSOORYVLJ-UHFFFAOYSA-N 1 0 228.242 1.901 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000061317404 173318462 /nfs/dbraw/zinc/31/84/62/173318462.db2.gz PFALWUNLMSQLDA-WDEREUQCSA-N 1 0 240.347 1.154 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000061319109 173318478 /nfs/dbraw/zinc/31/84/78/173318478.db2.gz MWRBFFDDAQMCLX-VIFPVBQESA-N 1 0 228.336 1.010 10 0 BDAERO C[NH2+]C(C)(C)CNc1nc(C)nc(C)c1F ZINC000336758172 173319197 /nfs/dbraw/zinc/31/91/97/173319197.db2.gz IEMLFQUQLGKOHH-UHFFFAOYSA-N 1 0 226.299 1.064 10 0 BDAERO C[NH2+]C1CCC(NC(=O)c2ccco2)CC1 ZINC000036880524 173321821 /nfs/dbraw/zinc/32/18/21/173321821.db2.gz UHORNBONFUSVNY-UHFFFAOYSA-N 1 0 222.288 1.540 10 0 BDAERO C[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000037469271 173322638 /nfs/dbraw/zinc/32/26/38/173322638.db2.gz WEVDMMUIERWGMK-UHFFFAOYSA-N 1 0 214.309 1.463 10 0 BDAERO C[NH2+]C1CCN(c2cnn(C(C)C)c2)CC1 ZINC000061683367 173324356 /nfs/dbraw/zinc/32/43/56/173324356.db2.gz HGOMOTFIVFSKAF-UHFFFAOYSA-N 1 0 222.336 1.652 10 0 BDAERO C[NH2+]CC(=O)N[C@H](C)c1ccccc1F ZINC000037495882 173332532 /nfs/dbraw/zinc/33/25/32/173332532.db2.gz ZBDBONSJIIDYRL-MRVPVSSYSA-N 1 0 210.252 1.222 10 0 BDAERO C[NH2+]CC(=O)Nc1ccccc1-n1ccnc1 ZINC000037006901 173335181 /nfs/dbraw/zinc/33/51/81/173335181.db2.gz LPCDYLISZXAVBH-UHFFFAOYSA-N 1 0 230.271 1.030 10 0 BDAERO C[NH2+]CC(=O)c1cc2cc(F)ccc2o1 ZINC000082378270 173336892 /nfs/dbraw/zinc/33/68/92/173336892.db2.gz LAHGAGPUNJQBKW-UHFFFAOYSA-N 1 0 207.204 1.974 10 0 BDAERO C[NH2+]CCC(=O)Nc1ccc(-c2cnco2)cc1 ZINC000043604626 173341376 /nfs/dbraw/zinc/34/13/76/173341376.db2.gz MJNSBRCQCMEYJP-UHFFFAOYSA-N 1 0 245.282 1.890 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc(F)c(F)c1 ZINC000077343033 173342265 /nfs/dbraw/zinc/34/22/65/173342265.db2.gz KUHRQNZADWGBAK-UHFFFAOYSA-N 1 0 229.226 1.618 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc2c(c1)CCO2 ZINC000077370801 173342266 /nfs/dbraw/zinc/34/22/66/173342266.db2.gz CIVFCHSZIKZSSO-UHFFFAOYSA-N 1 0 235.283 1.274 10 0 BDAERO C[NH2+]CCCC(=O)N[C@]1(CO)CCC[C@H](C)C1 ZINC000053128103 173345069 /nfs/dbraw/zinc/34/50/69/173345069.db2.gz OVVMCXJNWWHMSH-WCQYABFASA-N 1 0 242.363 1.043 10 0 BDAERO C[NH2+]CCCc1nc2c(cccc2F)n1C ZINC000037442597 173350825 /nfs/dbraw/zinc/35/08/25/173350825.db2.gz NGNGKIXQVIJMQZ-UHFFFAOYSA-N 1 0 221.279 1.864 10 0 BDAERO C[NH2+]CCN1c2cc(Cl)ccc2C(=O)C1=O ZINC000042410621 173354194 /nfs/dbraw/zinc/35/41/94/173354194.db2.gz XMVHBOOYUDPNME-UHFFFAOYSA-N 1 0 238.674 1.089 10 0 BDAERO C[NH2+]CCO[C@H](c1ccnn1C)c1ccccc1 ZINC000013979333 173356942 /nfs/dbraw/zinc/35/69/42/173356942.db2.gz HXPOXCFCESUOEW-AWEZNQCLSA-N 1 0 245.326 1.746 10 0 BDAERO C[NH2+]CCNc1cc(C(=O)OC)ccc1Cl ZINC000077391510 173357082 /nfs/dbraw/zinc/35/70/82/173357082.db2.gz HTFOPKWAGIHDQD-UHFFFAOYSA-N 1 0 242.706 1.758 10 0 BDAERO C[NH2+]CCOCc1cc(F)c(OC)cc1F ZINC000077360644 173357177 /nfs/dbraw/zinc/35/71/77/173357177.db2.gz WEIXWPSADLAEEH-UHFFFAOYSA-N 1 0 231.242 1.709 10 0 BDAERO C[NH2+]CCOc1nnc(C)c2ccccc21 ZINC000051866642 173357489 /nfs/dbraw/zinc/35/74/89/173357489.db2.gz XMIWRULOZLVKIX-UHFFFAOYSA-N 1 0 217.272 1.536 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1c(C)cccc1C ZINC000077373177 173358763 /nfs/dbraw/zinc/35/87/63/173358763.db2.gz GWZZOBGPFDUDND-ZDUSSCGKSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1cccc(C)c1 ZINC000077334570 173359173 /nfs/dbraw/zinc/35/91/73/173359173.db2.gz WJGBDZCFWQNUGW-ZDUSSCGKSA-N 1 0 222.332 1.402 10 0 BDAERO C[NH2+]CCc1noc(-c2cccc(C)n2)n1 ZINC000051850808 173362006 /nfs/dbraw/zinc/36/20/06/173362006.db2.gz IPOZAGXOBACKBE-UHFFFAOYSA-N 1 0 218.260 1.202 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc(C)s2)n1 ZINC000051850828 173362038 /nfs/dbraw/zinc/36/20/38/173362038.db2.gz CDDXUBJHEHOLEO-UHFFFAOYSA-N 1 0 223.301 1.868 10 0 BDAERO C[NH2+]CCn1cnc2cc(F)c(F)cc21 ZINC000053531119 173362225 /nfs/dbraw/zinc/36/22/25/173362225.db2.gz NEJQDULMDPHXCB-UHFFFAOYSA-N 1 0 211.215 1.534 10 0 BDAERO C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000019864912 173365582 /nfs/dbraw/zinc/36/55/82/173365582.db2.gz IQBZYKMDGSVJBG-SNVBAGLBSA-N 1 0 229.707 1.437 10 0 BDAERO C[NH2+]C[C@@H](O)c1cc2cccc(C)c2o1 ZINC000082934363 173365888 /nfs/dbraw/zinc/36/58/88/173365888.db2.gz HINXBAQUUFBAPM-SNVBAGLBSA-N 1 0 205.257 1.994 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(OCC(C)C)cc1 ZINC000032014604 173366051 /nfs/dbraw/zinc/36/60/51/173366051.db2.gz YLFVZZDVTFLPHZ-CYBMUJFWSA-N 1 0 223.316 1.974 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cnoc1C ZINC000063167876 173367071 /nfs/dbraw/zinc/36/70/71/173367071.db2.gz XLBJPDLGGWNPDH-JTQLQIEISA-N 1 0 237.303 1.197 10 0 BDAERO C[NH2+]C[C@H](C(C)C)N1CCSCC1 ZINC000052425429 173373432 /nfs/dbraw/zinc/37/34/32/173373432.db2.gz PLUNLJNWDPQCSM-SNVBAGLBSA-N 1 0 202.367 1.279 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2ccccc2F)C(=O)O1 ZINC000077336757 173371439 /nfs/dbraw/zinc/37/14/39/173371439.db2.gz JQBPZVKUUCRFSM-MRVPVSSYSA-N 1 0 224.235 1.370 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2cccc(F)c2)C(=O)O1 ZINC000077336768 173371713 /nfs/dbraw/zinc/37/17/13/173371713.db2.gz ZUCWXBSTTOTUGX-SNVBAGLBSA-N 1 0 224.235 1.370 10 0 BDAERO C[NH2+]C[C@@H]1CC[C@H](Cn2cc(Cl)cn2)O1 ZINC000052577265 173372048 /nfs/dbraw/zinc/37/20/48/173372048.db2.gz OWUILADRVSUQFC-VHSXEESVSA-N 1 0 229.711 1.304 10 0 BDAERO C[NH2+]C[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000054588889 173372053 /nfs/dbraw/zinc/37/20/53/173372053.db2.gz YQCIHASCUVORFM-WDEREUQCSA-N 1 0 219.284 1.781 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1c(F)cccc1F ZINC000055032656 173372204 /nfs/dbraw/zinc/37/22/04/173372204.db2.gz UEPLHOMWSHTEQE-SNVBAGLBSA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ccc(Br)cn1 ZINC000051867590 173376014 /nfs/dbraw/zinc/37/60/14/173376014.db2.gz AEWKPVTXKBNIQN-ZETCQYMHSA-N 1 0 245.120 1.831 10 0 BDAERO C[NH2+]C[C@@]1(Cc2cscn2)CCOC1 ZINC000054664022 173373608 /nfs/dbraw/zinc/37/36/08/173373608.db2.gz UFYGEOSJBNKSDS-JTQLQIEISA-N 1 0 212.318 1.312 10 0 BDAERO C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000019864959 173376659 /nfs/dbraw/zinc/37/66/59/173376659.db2.gz UURLPKLLTFVHFS-GXTWGEPZSA-N 1 0 235.327 1.661 10 0 BDAERO C[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000055027421 173376759 /nfs/dbraw/zinc/37/67/59/173376759.db2.gz VIODPVGZAJZCMC-VIFPVBQESA-N 1 0 243.690 1.364 10 0 BDAERO C[NH2+]C[C@H](O)c1c[nH]c2c1cccc2OC ZINC000071487925 173376834 /nfs/dbraw/zinc/37/68/34/173376834.db2.gz AZDRWZOIVMIXNT-JTQLQIEISA-N 1 0 220.272 1.429 10 0 BDAERO C[NH2+]C[C@H](O)c1cc(Br)cs1 ZINC000055027500 173376864 /nfs/dbraw/zinc/37/68/64/173376864.db2.gz YEAMGFQHEQMXLR-LURJTMIESA-N 1 0 236.134 1.763 10 0 BDAERO C[NH2+]C[C@H](O)Cc1ccc(C(C)C)cc1 ZINC000041216303 173377082 /nfs/dbraw/zinc/37/70/82/173377082.db2.gz OWKXZYBARVELRZ-CYBMUJFWSA-N 1 0 207.317 1.933 10 0 BDAERO C[NH2+]C[C@H](O)c1cc2cccc(F)c2o1 ZINC000082376491 173377192 /nfs/dbraw/zinc/37/71/92/173377192.db2.gz WIURZLNUZMSICE-VIFPVBQESA-N 1 0 209.220 1.825 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000011892304 173381431 /nfs/dbraw/zinc/38/14/31/173381431.db2.gz PBIOKOOKUSTJLI-LLVKDONJSA-N 1 0 220.316 1.741 10 0 BDAERO C[NH2+]C[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000054588891 173382740 /nfs/dbraw/zinc/38/27/40/173382740.db2.gz YQCIHASCUVORFM-GHMZBOCLSA-N 1 0 219.284 1.781 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc(F)c(Cl)c1 ZINC000055032726 173383164 /nfs/dbraw/zinc/38/31/64/173383164.db2.gz VAELVLGRNMJMJY-JTQLQIEISA-N 1 0 217.671 1.906 10 0 BDAERO C[NH2+]Cc1c(C)cc(C)nc1-n1cccn1 ZINC000051489254 173384222 /nfs/dbraw/zinc/38/42/22/173384222.db2.gz OPSKSBSWJZYZQH-UHFFFAOYSA-N 1 0 216.288 1.604 10 0 BDAERO C[NH2+]Cc1c(C)nn([C@@H]2CCCC[C@H]2O)c1C ZINC000054599979 173385442 /nfs/dbraw/zinc/38/54/42/173385442.db2.gz DCFMGSBTXFLEIZ-CHWSQXEVSA-N 1 0 237.347 1.695 10 0 BDAERO C[NH2+]Cc1cc(-c2cnn(C)c2)cs1 ZINC000042402164 173385839 /nfs/dbraw/zinc/38/58/39/173385839.db2.gz OBXGZLCHQDUSNY-UHFFFAOYSA-N 1 0 207.302 1.868 10 0 BDAERO C[NH2+]Cc1cc(-c2cnn(C)c2)ccc1OC ZINC000038073129 173385985 /nfs/dbraw/zinc/38/59/85/173385985.db2.gz TVAYELHRFLYYDI-UHFFFAOYSA-N 1 0 231.299 1.815 10 0 BDAERO C[NH2+]Cc1cc(F)ccc1N(CCO)C(C)C ZINC000042480269 173386534 /nfs/dbraw/zinc/38/65/34/173386534.db2.gz ZFIHJEOBINRVRS-UHFFFAOYSA-N 1 0 240.322 1.752 10 0 BDAERO C[NH2+]Cc1cc(CN2CCSCC2)c(C)o1 ZINC000052443300 173386878 /nfs/dbraw/zinc/38/68/78/173386878.db2.gz FXXUSVDXLFIAFE-UHFFFAOYSA-N 1 0 240.372 1.856 10 0 BDAERO C[NH2+]Cc1cc(N(C)C[C@H]2CCCO2)ccn1 ZINC000051486255 173387073 /nfs/dbraw/zinc/38/70/73/173387073.db2.gz XFPRHOHWXHXRLQ-CYBMUJFWSA-N 1 0 235.331 1.416 10 0 BDAERO C[NH2+]Cc1ccc(-c2cccs2)nn1 ZINC000071509360 173387842 /nfs/dbraw/zinc/38/78/42/173387842.db2.gz JLWYANCKTOVUEM-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1ccccc1OCCn1cccn1 ZINC000049313596 173390245 /nfs/dbraw/zinc/39/02/45/173390245.db2.gz MSHSBDFAXJZEPQ-UHFFFAOYSA-N 1 0 231.299 1.682 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)c1ccc[nH]1 ZINC000036281013 173390321 /nfs/dbraw/zinc/39/03/21/173390321.db2.gz FVTFALPTSXWSPG-UHFFFAOYSA-N 1 0 229.283 1.986 10 0 BDAERO C[NH2+]Cc1ccccc1N1C(=O)CCC1=O ZINC000041054405 173390654 /nfs/dbraw/zinc/39/06/54/173390654.db2.gz TYWTWHCAKYSNKG-UHFFFAOYSA-N 1 0 218.256 1.059 10 0 BDAERO C[NH2+]Cc1ccnc(-n2cc(C)cn2)c1 ZINC000051492075 173390965 /nfs/dbraw/zinc/39/09/65/173390965.db2.gz AKAZBDSNNPOYTA-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1cccnc1N1CC[C@@H](C)C1 ZINC000051448262 173391121 /nfs/dbraw/zinc/39/11/21/173391121.db2.gz OLFINTZEBVGWAM-SNVBAGLBSA-N 1 0 205.305 1.647 10 0 BDAERO C[NH2+]Cc1cn2c(cccc2Br)n1 ZINC000076792288 173391158 /nfs/dbraw/zinc/39/11/58/173391158.db2.gz FECUJHIGUMIGNO-UHFFFAOYSA-N 1 0 240.104 1.816 10 0 BDAERO C[NH2+]Cc1ccoc1Cn1cnc(C)c1C ZINC000052593455 173391432 /nfs/dbraw/zinc/39/14/32/173391432.db2.gz PAPUSUITDUNKGT-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+]Cc1ccnc(Cc2cccnc2)n1 ZINC000054791133 173391524 /nfs/dbraw/zinc/39/15/24/173391524.db2.gz PMMLXPCLHKWXEZ-UHFFFAOYSA-N 1 0 214.272 1.182 10 0 BDAERO C[NH2+]Cc1ccnc(-c2cccnc2)n1 ZINC000054791138 173391709 /nfs/dbraw/zinc/39/17/09/173391709.db2.gz UKTGTTVFNITMSI-UHFFFAOYSA-N 1 0 200.245 1.258 10 0 BDAERO C[NH2+]Cc1cnc(-c2ncccc2C)nc1 ZINC000054855584 173392268 /nfs/dbraw/zinc/39/22/68/173392268.db2.gz WBJKRQBSAJMYJY-UHFFFAOYSA-N 1 0 214.272 1.566 10 0 BDAERO C[NH2+]Cc1cnc(Cc2cccs2)nc1 ZINC000054855559 173392313 /nfs/dbraw/zinc/39/23/13/173392313.db2.gz QASWSEJIEGIAHB-UHFFFAOYSA-N 1 0 219.313 1.848 10 0 BDAERO C[NH2+]Cc1cnc(N2CCSCC2)s1 ZINC000054901790 173392640 /nfs/dbraw/zinc/39/26/40/173392640.db2.gz IJMPHMQWKVZITB-UHFFFAOYSA-N 1 0 229.374 1.416 10 0 BDAERO C[NH2+]Cc1csc(-c2cccnc2)n1 ZINC000040999568 173392893 /nfs/dbraw/zinc/39/28/93/173392893.db2.gz UDMMZFLMKNEIDJ-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1csc(C2CCOCC2)n1 ZINC000052176186 173393445 /nfs/dbraw/zinc/39/34/45/173393445.db2.gz PNFYXBXQYJRGMN-UHFFFAOYSA-N 1 0 212.318 1.757 10 0 BDAERO C[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000040999598 173393538 /nfs/dbraw/zinc/39/35/38/173393538.db2.gz QZUPBLIIMRMEPX-UHFFFAOYSA-N 1 0 206.274 1.320 10 0 BDAERO C[NH2+]Cc1nc2c(s1)CSCC2 ZINC000053294185 173396552 /nfs/dbraw/zinc/39/65/52/173396552.db2.gz MGKRESFKIJDAEA-UHFFFAOYSA-N 1 0 200.332 1.652 10 0 BDAERO C[NH2+]Cc1nc2cc(C)c(C)cc2n1C ZINC000022863815 173396694 /nfs/dbraw/zinc/39/66/94/173396694.db2.gz UAOUUIKPPBUWAP-UHFFFAOYSA-N 1 0 203.289 1.910 10 0 BDAERO C[NH2+]Cc1nnc(N2CCCCC2)s1 ZINC000082533701 173397143 /nfs/dbraw/zinc/39/71/43/173397143.db2.gz OHYXKNNLQJABTM-UHFFFAOYSA-N 1 0 212.322 1.248 10 0 BDAERO C[NH2+]Cc1nc(-c2ccccc2F)c[nH]1 ZINC000036877233 173397669 /nfs/dbraw/zinc/39/76/69/173397669.db2.gz BYBJSEBDXCLWSY-UHFFFAOYSA-N 1 0 205.236 1.935 10 0 BDAERO C[NH2+]Cc1ncc(-c2ccc3c(c2)OCCO3)o1 ZINC000077400918 173397865 /nfs/dbraw/zinc/39/78/65/173397865.db2.gz GMGRWVQURSWPJJ-UHFFFAOYSA-N 1 0 246.266 1.832 10 0 BDAERO C[NH2+][C@@H](C)Cc1nc(-c2ccncc2)no1 ZINC000082430675 173415889 /nfs/dbraw/zinc/41/58/89/173415889.db2.gz OTMHRZJVSQCOIX-QMMMGPOBSA-N 1 0 218.260 1.282 10 0 BDAERO C[NH2+][C@@H](C)[C@H](C)N1CCOCC1(C)C ZINC000043916912 173417269 /nfs/dbraw/zinc/41/72/69/173417269.db2.gz XZPYUZRHIVGVOK-UWVGGRQHSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+][C@@H](CO)COc1cccc(C(C)C)c1 ZINC000071531330 173423935 /nfs/dbraw/zinc/42/39/35/173423935.db2.gz WDFJZYLVLPKDRI-LBPRGKRZSA-N 1 0 223.316 1.769 10 0 BDAERO C[NH2+][C@@H](Cc1cnn(C)c1)c1ccccn1 ZINC000050542605 173426640 /nfs/dbraw/zinc/42/66/40/173426640.db2.gz PUNJLKWZVGZIFS-LBPRGKRZSA-N 1 0 216.288 1.318 10 0 BDAERO C[NH2+][C@@H](c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043300553 173429988 /nfs/dbraw/zinc/42/99/88/173429988.db2.gz JGMPQHXDJFCLBV-NEPJUHHUSA-N 1 0 239.340 1.382 10 0 BDAERO C[NH2+][C@@H]1CCN(c2cc(OC)ccc2OC)C1 ZINC000037240732 173436758 /nfs/dbraw/zinc/43/67/58/173436758.db2.gz SRAOAFRUZAQKMY-SNVBAGLBSA-N 1 0 236.315 1.502 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@H]1Oc1cccc(F)c1 ZINC000044056806 173437345 /nfs/dbraw/zinc/43/73/45/173437345.db2.gz IZFFKJGLFRSXJL-VXGBXAGGSA-N 1 0 225.263 1.581 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000049753035 173444197 /nfs/dbraw/zinc/44/41/97/173444197.db2.gz GOHWANGOLMGSLE-SECBINFHSA-N 1 0 224.279 1.392 10 0 BDAERO C[NH2+][C@H](C)Cc1nc(Cc2ccccc2F)no1 ZINC000109516627 173446978 /nfs/dbraw/zinc/44/69/78/173446978.db2.gz SRIFCZLOINHHDL-SECBINFHSA-N 1 0 249.289 1.950 10 0 BDAERO C[NH2+][C@H](C)c1ccc(N2C(=O)C[C@H](C)C2=O)cc1 ZINC000103103622 173448539 /nfs/dbraw/zinc/44/85/39/173448539.db2.gz YGAROIQDMPPAOG-VHSXEESVSA-N 1 0 246.310 1.866 10 0 BDAERO C[NH2+][C@H](C)c1nnc(-c2occc2C)o1 ZINC000050618280 173451228 /nfs/dbraw/zinc/45/12/28/173451228.db2.gz PYWANZZZNQOSSR-SSDOTTSWSA-N 1 0 207.233 1.918 10 0 BDAERO C[NH2+][C@H]1CCN(Cc2nccs2)C[C@@H]1C ZINC000049714060 173466245 /nfs/dbraw/zinc/46/62/45/173466245.db2.gz GWHLDDVLXYNVEE-UWVGGRQHSA-N 1 0 225.361 1.573 10 0 BDAERO COC(=O)N(CCC[NH3+])c1cccc(OC)c1 ZINC000034959931 173650630 /nfs/dbraw/zinc/65/06/30/173650630.db2.gz ZOVKSQMKVPIANC-UHFFFAOYSA-N 1 0 238.287 1.617 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1c1ccccc1F ZINC000215985868 173817835 /nfs/dbraw/zinc/81/78/35/173817835.db2.gz ZIDHFNSCZCXOEM-WDEREUQCSA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)[C@H]1C[C@@H]1[C@H]([NH3+])c1ccccc1 ZINC000006145307 173826210 /nfs/dbraw/zinc/82/62/10/173826210.db2.gz RPEXAJIYTVDBAP-GARJFASQSA-N 1 0 205.257 1.496 10 0 BDAERO COC(=O)c1ccc(N(C)CCC[NH3+])cc1 ZINC000077334055 173882006 /nfs/dbraw/zinc/88/20/06/173882006.db2.gz OEALHDPMBNSOHV-UHFFFAOYSA-N 1 0 222.288 1.258 10 0 BDAERO COC(=O)c1ccc(NC(=O)C2(C[NH3+])CC2)cc1 ZINC000077420348 173883485 /nfs/dbraw/zinc/88/34/85/173883485.db2.gz PQIHDFPLHWAIIN-UHFFFAOYSA-N 1 0 248.282 1.151 10 0 BDAERO COC(=O)c1cccc(N(C)C[C@H](C)C[NH3+])c1 ZINC000077372699 173896309 /nfs/dbraw/zinc/89/63/09/173896309.db2.gz FFSYVLLHECICDP-SNVBAGLBSA-N 1 0 236.315 1.504 10 0 BDAERO COC(OC)[C@@H](C[NH3+])Cc1cccc(C)c1 ZINC000019729772 173964250 /nfs/dbraw/zinc/96/42/50/173964250.db2.gz UGHRTTIJIUEQED-GFCCVEGCSA-N 1 0 223.316 1.731 10 0 BDAERO COC1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000094647220 174026892 /nfs/dbraw/zinc/02/68/92/174026892.db2.gz JFDBPHXPASUHSG-ZYHUDNBSSA-N 1 0 240.347 1.012 10 0 BDAERO COC1CC[NH+]([C@](C)(CN)C2CC2)CC1 ZINC000035659568 174032823 /nfs/dbraw/zinc/03/28/23/174032823.db2.gz CEJSADHRYFCKPF-GFCCVEGCSA-N 1 0 212.337 1.225 10 0 BDAERO COCC(C)(C)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336645336 174069278 /nfs/dbraw/zinc/06/92/78/174069278.db2.gz CXEIAZYSCBPSOA-GFCCVEGCSA-N 1 0 226.364 1.439 10 0 BDAERO COCC(C)(C)C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000336753508 174073580 /nfs/dbraw/zinc/07/35/80/174073580.db2.gz GUZBKWCDBFXWCO-QWRGUYRKSA-N 1 0 215.337 1.410 10 0 BDAERO COCC1([NH2+]Cc2cnn(C)c2C)CCC1 ZINC000284026943 174111218 /nfs/dbraw/zinc/11/12/18/174111218.db2.gz NZECVAUYNFVENR-UHFFFAOYSA-N 1 0 223.320 1.387 10 0 BDAERO COCCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186545906 174161449 /nfs/dbraw/zinc/16/14/49/174161449.db2.gz SKWQNDZSRRKOJU-LLVKDONJSA-N 1 0 240.347 1.156 10 0 BDAERO COCCCN(C)C(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000062034704 174214770 /nfs/dbraw/zinc/21/47/70/174214770.db2.gz XAVHKSPVYGTQMJ-GRYCIOLGSA-N 1 0 242.363 1.245 10 0 BDAERO COCCCNC(=O)[C@@H](C)[NH2+]CC1CCCC1 ZINC000037251985 174243910 /nfs/dbraw/zinc/24/39/10/174243910.db2.gz ZRQGTVPTWYVMCU-LLVKDONJSA-N 1 0 242.363 1.307 10 0 BDAERO COCCCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036926690 174244129 /nfs/dbraw/zinc/24/41/29/174244129.db2.gz JJEQJLNPWMTCMB-SDDRHHMPSA-N 1 0 240.347 1.060 10 0 BDAERO COCCC[NH2+]C[C@H](O)c1ccc(OC)cc1 ZINC000037885751 174247211 /nfs/dbraw/zinc/24/72/11/174247211.db2.gz YNHQAAJYERBEJF-ZDUSSCGKSA-N 1 0 239.315 1.355 10 0 BDAERO COCCC[NH2+]Cc1nc(C)c(C)n1C ZINC000022862264 174248411 /nfs/dbraw/zinc/24/84/11/174248411.db2.gz 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1.792 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000041247231 174284243 /nfs/dbraw/zinc/28/42/43/174284243.db2.gz VGWYPNAWMOUFOR-GFCCVEGCSA-N 1 0 226.295 1.404 10 0 BDAERO COCCN(CCC(N)=[NH2+])c1cc(C)ccn1 ZINC000071229490 174290093 /nfs/dbraw/zinc/29/00/93/174290093.db2.gz VFAMDYRWZYXUAV-UHFFFAOYSA-N 1 0 236.319 1.169 10 0 BDAERO COCCN(CCC[NH3+])C(=O)c1ccoc1C ZINC000071222690 174290239 /nfs/dbraw/zinc/29/02/39/174290239.db2.gz GDKDTJGBUDHJRJ-UHFFFAOYSA-N 1 0 240.303 1.025 10 0 BDAERO COCC[N@H+](Cc1ccccc1N)C1CC1 ZINC000035366471 174298759 /nfs/dbraw/zinc/29/87/59/174298759.db2.gz MMSKZAGDEYQCCS-UHFFFAOYSA-N 1 0 220.316 1.880 10 0 BDAERO COCCN1C[C@H](C)[NH2+]C[C@H]1CC(C)C ZINC000062571785 174317786 /nfs/dbraw/zinc/31/77/86/174317786.db2.gz XDVWAORYFHPGDO-NWDGAFQWSA-N 1 0 214.353 1.341 10 0 BDAERO COCCNC(=[NH2+])Cc1nc2ccccc2[nH]1 ZINC000104335162 174319102 /nfs/dbraw/zinc/31/91/02/174319102.db2.gz LYHCIZRUIDJLPB-UHFFFAOYSA-N 1 0 232.287 1.319 10 0 BDAERO 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COc1cc(C)c(C)cc1CC[NH2+]C[C@@H](C)O ZINC000098126266 174955761 /nfs/dbraw/zinc/95/57/61/174955761.db2.gz CVECJMIPSXVTLF-GFCCVEGCSA-N 1 0 237.343 1.825 10 0 BDAERO COc1cc(C)c(CC[NH2+][C@H](C)CO)cc1C ZINC000098126269 174957915 /nfs/dbraw/zinc/95/79/15/174957915.db2.gz SBAIIJFJGAOKIE-GFCCVEGCSA-N 1 0 237.343 1.825 10 0 BDAERO COc1cc(C)ccc1OCCO[C@H](C)C[NH3+] ZINC000074528075 174969199 /nfs/dbraw/zinc/96/91/99/174969199.db2.gz VQQURLPSBDJUTC-LLVKDONJSA-N 1 0 239.315 1.746 10 0 BDAERO COc1cc(C[NH2+][C@H]2CCCC[C@H]2O)ccn1 ZINC000062070140 174986640 /nfs/dbraw/zinc/98/66/40/174986640.db2.gz AWJGLNYCHWCQAL-NWDGAFQWSA-N 1 0 236.315 1.483 10 0 BDAERO COc1cc(C[C@H](C)[NH3+])c(OC)c(OC)c1 ZINC000026818381 174988291 /nfs/dbraw/zinc/98/82/91/174988291.db2.gz MJIBJXKJBRLSQA-QMMMGPOBSA-N 1 0 225.288 1.602 10 0 BDAERO COc1cc(OC)c([C@@H]2CC[C@H]2[NH3+])cc1OC ZINC000005998890 175007714 /nfs/dbraw/zinc/00/77/14/175007714.db2.gz FVHLLYXOSNOULA-WCBMZHEXSA-N 1 0 237.299 1.917 10 0 BDAERO 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/nfs/dbraw/zinc/07/71/62/175077162.db2.gz QODDTUQZRNAYCG-SECBINFHSA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(C2(C[NH3+])OCCO2)cc1C ZINC000049819269 175084817 /nfs/dbraw/zinc/08/48/17/175084817.db2.gz DZYLXDVFQQSUKO-UHFFFAOYSA-N 1 0 223.272 1.162 10 0 BDAERO COc1ccc(CC[NH2+]CCN2CCCC2)cc1 ZINC000041582132 175091355 /nfs/dbraw/zinc/09/13/55/175091355.db2.gz FCAKWWXLJLPWCZ-UHFFFAOYSA-N 1 0 248.370 1.923 10 0 BDAERO COc1ccc(CC[C@H](O)[C@@H]2CCC[NH2+]2)cc1 ZINC000071546211 175093427 /nfs/dbraw/zinc/09/34/27/175093427.db2.gz WKLFAGZVIOSZSZ-KBPBESRZSA-N 1 0 235.327 1.741 10 0 BDAERO COc1ccc(CCc2n[nH]c(CC[NH3+])n2)cc1 ZINC000077402180 175093558 /nfs/dbraw/zinc/09/35/58/175093558.db2.gz GHBSLRZOMWQABZ-UHFFFAOYSA-N 1 0 246.314 1.100 10 0 BDAERO COc1ccc(CNC2=[NH+]C[C@@H](C)S2)cn1 ZINC000062057123 175105139 /nfs/dbraw/zinc/10/51/39/175105139.db2.gz MYTMUEZTIIPQBK-MRVPVSSYSA-N 1 0 237.328 1.671 10 0 BDAERO COc1ccc(CNCC[NH3+])cc1OC(F)F ZINC000037712254 175106989 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/nfs/dbraw/zinc/12/11/29/175121129.db2.gz DNDFMMFBEZLMHO-SECBINFHSA-N 1 0 215.680 1.211 10 0 BDAERO COc1ccc(Cl)cc1[C@H](C[NH3+])CO ZINC000071519473 175123324 /nfs/dbraw/zinc/12/33/24/175123324.db2.gz CNYRVBKCPKQQCL-SSDOTTSWSA-N 1 0 215.680 1.383 10 0 BDAERO COc1ccc(N(CCC[NH3+])C(=O)C2CC2)cc1 ZINC000020233727 175137392 /nfs/dbraw/zinc/13/73/92/175137392.db2.gz KXWHWMRSKALGFG-UHFFFAOYSA-N 1 0 248.326 1.787 10 0 BDAERO COc1ccc(NC(=O)C[NH3+])c(Cl)c1 ZINC000082595548 175141374 /nfs/dbraw/zinc/14/13/74/175141374.db2.gz JXUWQKOBBALAPU-UHFFFAOYSA-N 1 0 214.652 1.246 10 0 BDAERO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1C ZINC000042351120 175146059 /nfs/dbraw/zinc/14/60/59/175146059.db2.gz PUPXBPYMTORFAR-NSHDSACASA-N 1 0 234.299 1.694 10 0 BDAERO COc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1C ZINC000049531970 175146408 /nfs/dbraw/zinc/14/64/08/175146408.db2.gz RGMXLVNFLDRLBH-NSHDSACASA-N 1 0 248.326 1.942 10 0 BDAERO COc1ccc(NC(=O)[C@@](C)([NH3+])C2CC2)cc1 ZINC000037614105 175146710 /nfs/dbraw/zinc/14/67/10/175146710.db2.gz ULENBRSELYPVLG-ZDUSSCGKSA-N 1 0 234.299 1.761 10 0 BDAERO COc1ccc(NC2CC[NH2+]CC2)cc1O ZINC000038041363 175150040 /nfs/dbraw/zinc/15/00/40/175150040.db2.gz NRAIYXJPUJKNFH-UHFFFAOYSA-N 1 0 222.288 1.565 10 0 BDAERO COc1ccc(OC)c(-c2c[nH]c(C[NH3+])n2)c1 ZINC000036870932 175162634 /nfs/dbraw/zinc/16/26/34/175162634.db2.gz FTSMUAPKEAYRJW-UHFFFAOYSA-N 1 0 233.271 1.553 10 0 BDAERO COc1ccc(OC)c(SC[C@@H](O)C[NH3+])c1 ZINC000019686784 175166726 /nfs/dbraw/zinc/16/67/26/175166726.db2.gz AQQFFOAOYSXZEC-QMMMGPOBSA-N 1 0 243.328 1.116 10 0 BDAERO COc1ccc(OC)c(SC[C@H](O)C[NH3+])c1 ZINC000019686786 175167119 /nfs/dbraw/zinc/16/71/19/175167119.db2.gz AQQFFOAOYSXZEC-MRVPVSSYSA-N 1 0 243.328 1.116 10 0 BDAERO COc1ccc(OC)c(N[C@@H]2CC[N@H+](C)C2)c1 ZINC000061984576 175167454 /nfs/dbraw/zinc/16/74/54/175167454.db2.gz XNXIOXZVJLLKRG-SNVBAGLBSA-N 1 0 236.315 1.820 10 0 BDAERO COc1ccc(OC)c2c(CC[NH3+])c[nH]c21 ZINC000021995025 175170080 /nfs/dbraw/zinc/17/00/80/175170080.db2.gz PZKYHKZYACYPAZ-UHFFFAOYSA-N 1 0 220.272 1.686 10 0 BDAERO COc1ccc(OC)c2c1CCC[C@@H]([NH3+])C2 ZINC000029220742 175170360 /nfs/dbraw/zinc/17/03/60/175170360.db2.gz FZDVPFDXWGHMGC-SECBINFHSA-N 1 0 221.300 1.910 10 0 BDAERO COc1ccc(OC)c2c1[C@@H]1C[C@H]([NH3+])[C@H]2O1 ZINC000031417175 175171308 /nfs/dbraw/zinc/17/13/08/175171308.db2.gz RHPOKPZQQSMKKC-ZKQGETEISA-N 1 0 221.256 1.547 10 0 BDAERO COc1ccc(SC[C@@H](O)C[NH3+])cc1 ZINC000019686724 175175209 /nfs/dbraw/zinc/17/52/09/175175209.db2.gz LAWHRIIHKZMVHK-QMMMGPOBSA-N 1 0 213.302 1.107 10 0 BDAERO COc1ccc([C@@H](O)C(C)(C)[NH3+])cc1OC ZINC000019684261 175180922 /nfs/dbraw/zinc/18/09/22/175180922.db2.gz FUYJHJQZJJAHCL-LLVKDONJSA-N 1 0 225.288 1.475 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CO2)cc1Cl ZINC000082533881 175183792 /nfs/dbraw/zinc/18/37/92/175183792.db2.gz PXOJQNVLKVJWAY-JTQLQIEISA-N 1 0 213.664 1.967 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CCO2)c(OC)c1 ZINC000011803078 175183909 /nfs/dbraw/zinc/18/39/09/175183909.db2.gz ITZILVHZZAWYEH-LBPRGKRZSA-N 1 0 223.272 1.365 10 0 BDAERO COc1ccc([C@@H]2C[NH2+][C@@H](C)CO2)cc1F ZINC000036986504 175184142 /nfs/dbraw/zinc/18/41/42/175184142.db2.gz SNKNVRXDXPREBO-UFBFGSQYSA-N 1 0 225.263 1.884 10 0 BDAERO COc1ccc([C@H]([NH3+])CCO)cc1Cl ZINC000044233835 175191690 /nfs/dbraw/zinc/19/16/90/175191690.db2.gz FCIHTARFOLHTOF-SECBINFHSA-N 1 0 215.680 1.731 10 0 BDAERO COc1ccc([C@H]([NH3+])CO)cc1Br ZINC000038124750 175191843 /nfs/dbraw/zinc/19/18/43/175191843.db2.gz ONXLTZSDNHKCBK-MRVPVSSYSA-N 1 0 246.104 1.450 10 0 BDAERO COc1ccc([C@H](N)C[NH3+])cc1Cl ZINC000044471898 175192157 /nfs/dbraw/zinc/19/21/57/175192157.db2.gz BQIJRRZUKFQCAU-MRVPVSSYSA-N 1 0 200.669 1.307 10 0 BDAERO COc1ccc([C@H](O)CCC[NH3+])cc1OC ZINC000019674907 175193428 /nfs/dbraw/zinc/19/34/28/175193428.db2.gz YNNUBMCSQDFKMA-SNVBAGLBSA-N 1 0 225.288 1.476 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@H](C)O2)cc1OC ZINC000033466016 175196335 /nfs/dbraw/zinc/19/63/35/175196335.db2.gz FTTZCTQTVKSJGY-NOZJJQNGSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@H]2C[C@@]2(C[NH3+])CO)cc1C ZINC000070500455 175197882 /nfs/dbraw/zinc/19/78/82/175197882.db2.gz CXWFALREAJPTML-DGCLKSJQSA-N 1 0 221.300 1.428 10 0 BDAERO COc1ccc([C@H]2NC(=O)CC[C@H]2[NH3+])cc1C ZINC000076680845 175198136 /nfs/dbraw/zinc/19/81/36/175198136.db2.gz MJSCBDCGFNYALB-ZWNOBZJWSA-N 1 0 234.299 1.282 10 0 BDAERO COc1ccc([C@H]2[NH2+]CC[C@@H]2CO)cc1 ZINC000051971734 175198737 /nfs/dbraw/zinc/19/87/37/175198737.db2.gz MMRCYRSNAOYMIJ-ZYHUDNBSSA-N 1 0 207.273 1.338 10 0 BDAERO COc1ccc2[nH]cc([C@@H](O)[C@@H]3CCC[NH2+]3)c2c1 ZINC000041297531 175202532 /nfs/dbraw/zinc/20/25/32/175202532.db2.gz ADOBIKSMUNLRNC-UONOGXRCSA-N 1 0 246.310 1.962 10 0 BDAERO COc1ccc2c(c1)CC1(CC[NH2+]CC1)C2=O ZINC000095803758 175208157 /nfs/dbraw/zinc/20/81/57/175208157.db2.gz LQAWCNXOMNNZQK-UHFFFAOYSA-N 1 0 231.295 1.804 10 0 BDAERO COc1ccc2c(c1)CC[C@@H](n1cncn1)[C@@H]2[NH3+] ZINC000019387245 175209916 /nfs/dbraw/zinc/20/99/16/175209916.db2.gz KHTXMAXOISOTLI-CHWSQXEVSA-N 1 0 244.298 1.474 10 0 BDAERO COc1ccc2c(c1)O[C@H](C1=[NH+]CCN1)C2 ZINC000027651527 175213191 /nfs/dbraw/zinc/21/31/91/175213191.db2.gz VUCUPTGHZRNLBZ-NSHDSACASA-N 1 0 218.256 1.000 10 0 BDAERO COc1ccc2c(c1)[C@@H](O)[C@@H]([NH3+])CCC2 ZINC000019795593 175214791 /nfs/dbraw/zinc/21/47/91/175214791.db2.gz AIFCWXUDLPHAAP-NWDGAFQWSA-N 1 0 207.273 1.392 10 0 BDAERO COc1ccc2cc([C@@H](N)C[NH3+])ccc2c1 ZINC000035677052 175225057 /nfs/dbraw/zinc/22/50/57/175225057.db2.gz HVXKEWXXBSBKSX-ZDUSSCGKSA-N 1 0 216.284 1.807 10 0 BDAERO COc1ccc2[nH]c([C@H]3CCC[NH2+]3)nc2c1 ZINC000062152763 175230305 /nfs/dbraw/zinc/23/03/05/175230305.db2.gz ALIYWMGXNBFLNW-SNVBAGLBSA-N 1 0 217.272 1.996 10 0 BDAERO COc1ccc2ncn([C@H]3CCC[NH2+]C3)c2c1 ZINC000215810400 175230361 /nfs/dbraw/zinc/23/03/61/175230361.db2.gz KVUDSJIAMPAXMD-JTQLQIEISA-N 1 0 231.299 1.969 10 0 BDAERO COc1cccc(-c2[nH+]c(C)n(C)c2N)c1OC ZINC000103499124 175235866 /nfs/dbraw/zinc/23/58/66/175235866.db2.gz ABLAGZZQKFPQDN-UHFFFAOYSA-N 1 0 247.298 1.995 10 0 BDAERO COc1cccc(CN(C(=O)CC[NH3+])C2CC2)c1 ZINC000032103648 175253791 /nfs/dbraw/zinc/25/37/91/175253791.db2.gz TYTVQZRQYLOPIY-UHFFFAOYSA-N 1 0 248.326 1.535 10 0 BDAERO COc1cccc(CC[C@@H](C)[NH3+])c1OC ZINC000062153452 175254107 /nfs/dbraw/zinc/25/41/07/175254107.db2.gz XQXYOHHUXKKBRB-SECBINFHSA-N 1 0 209.289 1.984 10 0 BDAERO COc1cccc(C[NH3+])c1OCCn1cccn1 ZINC000049313749 175256976 /nfs/dbraw/zinc/25/69/76/175256976.db2.gz YXDLXUQOOGITTQ-UHFFFAOYSA-N 1 0 247.298 1.429 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000225812941 487630192 /nfs/dbraw/zinc/63/01/92/487630192.db2.gz CXLQKNYXTXYBDI-GMTAPVOTSA-N 1 0 212.337 1.665 10 0 BDAERO COc1cccc(C[C@H]2CCC[NH2+]2)c1OC ZINC000096912205 175272833 /nfs/dbraw/zinc/27/28/33/175272833.db2.gz JKLSOJTZMSPSMI-LLVKDONJSA-N 1 0 221.300 1.998 10 0 BDAERO COc1cccc(N2CCC[C@@H]2C[NH3+])c1 ZINC000020439481 175275132 /nfs/dbraw/zinc/27/51/32/175275132.db2.gz OALLCHYCKZLRCB-LLVKDONJSA-N 1 0 206.289 1.623 10 0 BDAERO COc1cccc(OCC(=[NH2+])NO)c1OC ZINC000041246833 175282337 /nfs/dbraw/zinc/28/23/37/175282337.db2.gz JSBTTWIWCCSSBA-UHFFFAOYSA-N 1 0 226.232 1.039 10 0 BDAERO COc1cccc(OC)c1OC[C@H](C)[NH3+] ZINC000023069192 175282919 /nfs/dbraw/zinc/28/29/19/175282919.db2.gz MMNQLRQSCCIHMI-QMMMGPOBSA-N 1 0 211.261 1.430 10 0 BDAERO COc1cccc([C@@H]([NH3+])c2cnccn2)c1 ZINC000037467102 175288811 /nfs/dbraw/zinc/28/88/11/175288811.db2.gz XZEZYEOPJVJWSZ-GFCCVEGCSA-N 1 0 215.256 1.533 10 0 BDAERO COc1cccc([C@@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000037869395 175289267 /nfs/dbraw/zinc/28/92/67/175289267.db2.gz SLEJHXKDRPSSNP-LLVKDONJSA-N 1 0 222.288 1.220 10 0 BDAERO COc1cccc([C@@H]([C@@H](C)[NH3+])n2cncn2)c1 ZINC000043028733 175290087 /nfs/dbraw/zinc/29/00/87/175290087.db2.gz YUHNLBQJRUGHNV-BXKDBHETSA-N 1 0 232.287 1.223 10 0 BDAERO COc1cccc([C@H]([C@@H](C)[NH3+])n2ccnc2)c1 ZINC000043028753 175295896 /nfs/dbraw/zinc/29/58/96/175295896.db2.gz GKWRMOWNVPNADO-MFKMUULPSA-N 1 0 231.299 1.828 10 0 BDAERO COc1cccc2c1CCC[C@@H]([NH3+])[C@@H]2O ZINC000008699462 175301380 /nfs/dbraw/zinc/30/13/80/175301380.db2.gz KOADUGGYCOIATC-ZYHUDNBSSA-N 1 0 207.273 1.392 10 0 BDAERO COc1cccc2c1S(=O)(=O)C[C@H](C)[C@@H]2[NH3+] ZINC000041030817 175305300 /nfs/dbraw/zinc/30/53/00/175305300.db2.gz RXEMWPVYLZDJGI-XVKPBYJWSA-N 1 0 241.312 1.118 10 0 BDAERO COc1cccc2c3c([nH]c21)CC[C@H]([NH3+])C3 ZINC000071477440 175306602 /nfs/dbraw/zinc/30/66/02/175306602.db2.gz QAVHOSCBRDWIPC-QMMMGPOBSA-N 1 0 216.284 1.993 10 0 BDAERO COc1ccccc1-c1n[nH]c2c1C[NH2+]CC2 ZINC000020221838 175308262 /nfs/dbraw/zinc/30/82/62/175308262.db2.gz UNGAGSDBFGDQRC-UHFFFAOYSA-N 1 0 229.283 1.731 10 0 BDAERO COc1ccccc1-c1n[nH]c(C)c1C[NH3+] ZINC000066135332 175308377 /nfs/dbraw/zinc/30/83/77/175308377.db2.gz REEODUMOIYJMQH-UHFFFAOYSA-N 1 0 217.272 1.852 10 0 BDAERO COc1ccccc1-c1cnc(CC[NH3+])o1 ZINC000041231069 175309705 /nfs/dbraw/zinc/30/97/05/175309705.db2.gz QNTPAWHOCZGRJB-UHFFFAOYSA-N 1 0 218.256 1.851 10 0 BDAERO COc1ccccc1C[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000041266081 175332490 /nfs/dbraw/zinc/33/24/90/175332490.db2.gz RTCNRSXTKBKSSD-CHWSQXEVSA-N 1 0 235.327 1.598 10 0 BDAERO COc1ccccc1C[C@@H]1C[NH2+]CC[C@@H]1O ZINC000071522975 175332725 /nfs/dbraw/zinc/33/27/25/175332725.db2.gz OFRGYTOBYRAXTE-NEPJUHHUSA-N 1 0 221.300 1.208 10 0 BDAERO COc1ccccc1C[C@]1(C)OC[C@H](C[NH3+])O1 ZINC000019729883 175333823 /nfs/dbraw/zinc/33/38/23/175333823.db2.gz DLTODJCJAXPYJE-WCQYABFASA-N 1 0 237.299 1.328 10 0 BDAERO COc1ccccc1Cc1nccc(CC[NH3+])n1 ZINC000054833612 175334590 /nfs/dbraw/zinc/33/45/90/175334590.db2.gz FQEANVVKZLSUHX-UHFFFAOYSA-N 1 0 243.310 1.577 10 0 BDAERO COc1ccccc1N(C)C(=O)C(C)(C)[NH3+] ZINC000049972282 175334956 /nfs/dbraw/zinc/33/49/56/175334956.db2.gz UKQJTZBOMUWKHS-UHFFFAOYSA-N 1 0 222.288 1.395 10 0 BDAERO COc1ccccc1N[C@]1(CO)CC[N@H+](C)C1 ZINC000061992162 175339479 /nfs/dbraw/zinc/33/94/79/175339479.db2.gz OBYVRGZQHUGEQV-CYBMUJFWSA-N 1 0 236.315 1.174 10 0 BDAERO COc1ccccc1O[C@@H](C[NH3+])C(F)(F)F ZINC000037169989 175342870 /nfs/dbraw/zinc/34/28/70/175342870.db2.gz VCTDWTRYKVQDDH-VIFPVBQESA-N 1 0 235.205 1.964 10 0 BDAERO COc1ccccc1O[C@H]1CCC[C@@H]1[NH3+] ZINC000022563634 175342958 /nfs/dbraw/zinc/34/29/58/175342958.db2.gz PHWWMBAWCPINOL-UWVGGRQHSA-N 1 0 207.273 1.954 10 0 BDAERO COc1ccccc1[C@@H](C[NH3+])CC(=O)NC1CC1 ZINC000057537078 175345881 /nfs/dbraw/zinc/34/58/81/175345881.db2.gz XYDFSIODYMCYTD-SNVBAGLBSA-N 1 0 248.326 1.406 10 0 BDAERO COc1ccccc1[C@H]([NH3+])Cn1ccnc1 ZINC000038808998 175353344 /nfs/dbraw/zinc/35/33/44/175353344.db2.gz BVGDTEVVTJOUNI-LLVKDONJSA-N 1 0 217.272 1.592 10 0 BDAERO COc1ccnc(N2CCC[C@@H]2CCC[NH3+])n1 ZINC000104324455 175362276 /nfs/dbraw/zinc/36/22/76/175362276.db2.gz LNHYHUCHJWMDCX-JTQLQIEISA-N 1 0 236.319 1.193 10 0 BDAERO COc1ncnc(OC)c1C[NH2+][C@@H](C)C(C)C ZINC000036746020 175414484 /nfs/dbraw/zinc/41/44/84/175414484.db2.gz TUAYQKBLCSBPIW-VIFPVBQESA-N 1 0 239.319 1.628 10 0 BDAERO CSCCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000235032229 175466717 /nfs/dbraw/zinc/46/67/17/175466717.db2.gz UGJZPVDSNXPRPN-UWVGGRQHSA-N 1 0 230.377 1.325 10 0 BDAERO CSc1cccc(N2C[C@H]([NH3+])CC2=O)c1 ZINC000035679630 175579997 /nfs/dbraw/zinc/57/99/97/175579997.db2.gz RAXDIRNBUSEWOY-MRVPVSSYSA-N 1 0 222.313 1.473 10 0 BDAERO C[C@@H](C[NH3+])OCCOc1ccc(F)cc1F ZINC000074527917 175711420 /nfs/dbraw/zinc/71/14/20/175711420.db2.gz VJDRGJAPEROYPR-QMMMGPOBSA-N 1 0 231.242 1.707 10 0 BDAERO C[C@@H](C[NH2+]C1CC1)n1cc(Br)cn1 ZINC000052577608 175730649 /nfs/dbraw/zinc/73/06/49/175730649.db2.gz ZBLZFLWNBFZYLW-ZETCQYMHSA-N 1 0 244.136 1.959 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1cccc2c(O)cccc12 ZINC000037040602 175800894 /nfs/dbraw/zinc/80/08/94/175800894.db2.gz GEDZHYCWZPOLPH-MRVPVSSYSA-N 1 0 230.267 1.831 10 0 BDAERO C[C@@H]([NH3+])Cc1ccc(-c2cnn(C)c2)cc1 ZINC000082706541 175807267 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QHOKRGCPKSTLPW-GFCCVEGCSA-N 1 0 235.331 1.380 10 0 BDAERO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000054306079 487713848 /nfs/dbraw/zinc/71/38/48/487713848.db2.gz KNRCKNCXVWPEGY-ZJUUUORDSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H](NC(=O)COC1(C)C[NH2+]C1)C1CCCC1 ZINC000098061378 487719071 /nfs/dbraw/zinc/71/90/71/487719071.db2.gz LAVOWARXFGMYEF-SNVBAGLBSA-N 1 0 240.347 1.060 10 0 BDAERO Cc1noc2ncnc(NC[C@@H]([NH3+])C(C)C)c12 ZINC000070447849 487720934 /nfs/dbraw/zinc/72/09/34/487720934.db2.gz FWGPSWKQHLNKHJ-MRVPVSSYSA-N 1 0 235.291 1.321 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000136297707 487723567 /nfs/dbraw/zinc/72/35/67/487723567.db2.gz YRXNHKMAXHJEOQ-NSHDSACASA-N 1 0 249.314 1.097 10 0 BDAERO C[C@@H](O)C[C@H](C)CNC(=O)C1CCC([NH3+])CC1 ZINC000398655305 487724851 /nfs/dbraw/zinc/72/48/51/487724851.db2.gz ZTJUCVCQFLVFGX-DMOGRIERSA-N 1 0 242.363 1.027 10 0 BDAERO CCC(CC)(C[NH3+])NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250397840 487730176 /nfs/dbraw/zinc/73/01/76/487730176.db2.gz KMIZORAQHHDFJN-JGPRNRPPSA-N 1 0 224.348 1.666 10 0 BDAERO C[NH+](C)CCCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250357095 487730609 /nfs/dbraw/zinc/73/06/09/487730609.db2.gz PIVHNPBTIWKKBE-ZSBIGDGJSA-N 1 0 224.348 1.491 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(C(N)=O)c1 ZINC000136434993 487736025 /nfs/dbraw/zinc/73/60/25/487736025.db2.gz KFTTYRQASQTRAP-LLVKDONJSA-N 1 0 249.314 1.097 10 0 BDAERO C[C@]1(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CCCO1 ZINC000250818987 487740924 /nfs/dbraw/zinc/74/09/24/487740924.db2.gz YRLXVOQGHPSHRZ-GMXVVIOVSA-N 1 0 240.347 1.047 10 0 BDAERO [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250865850 487743175 /nfs/dbraw/zinc/74/31/75/487743175.db2.gz RGWIAAATCBNKFA-WRWGMCAJSA-N 1 0 222.332 1.372 10 0 BDAERO C[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000384758223 487743822 /nfs/dbraw/zinc/74/38/22/487743822.db2.gz ACUFQGVXAIIUDB-FDYHWXHSSA-N 1 0 227.348 1.383 10 0 BDAERO CC[C@@H]1C[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000233938604 487753082 /nfs/dbraw/zinc/75/30/82/487753082.db2.gz BRJJFCJIUSSLKF-HBNTYKKESA-N 1 0 210.321 1.291 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000251456308 487756366 /nfs/dbraw/zinc/75/63/66/487756366.db2.gz CEYAATPBXRODDN-WJTVCTBASA-N 1 0 236.359 1.761 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CCc2ccccc2C1 ZINC000223552512 487781346 /nfs/dbraw/zinc/78/13/46/487781346.db2.gz HIHWUJCILZMRNU-RISCZKNCSA-N 1 0 246.354 1.645 10 0 BDAERO CC(=O)c1ccnc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000251858001 487803090 /nfs/dbraw/zinc/80/30/90/487803090.db2.gz SECOXHKTKKPLLY-ZWNOBZJWSA-N 1 0 247.342 1.671 10 0 BDAERO CC[C@@H]1CN(c2cc(C)ccn2)CC[C@H]1[NH3+] ZINC000251913307 487806916 /nfs/dbraw/zinc/80/69/16/487806916.db2.gz XVWWOVJPHFZZJC-VXGBXAGGSA-N 1 0 219.332 1.954 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])O1 ZINC000252157702 487819181 /nfs/dbraw/zinc/81/91/81/487819181.db2.gz NOOKTJNRMAIARM-WHOHXGKFSA-N 1 0 240.347 1.140 10 0 BDAERO C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000252186433 487821042 /nfs/dbraw/zinc/82/10/42/487821042.db2.gz QWZCBYIYXVZZBF-GRYCIOLGSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000089462005 487823842 /nfs/dbraw/zinc/82/38/42/487823842.db2.gz MFIFSACYIWQEIK-OLZOCXBDSA-N 1 0 247.342 1.381 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCSC1 ZINC000227379340 487835223 /nfs/dbraw/zinc/83/52/23/487835223.db2.gz GNSCXUKKSWDJPZ-HBNTYKKESA-N 1 0 242.388 1.325 10 0 BDAERO CN1CCC[C@H]1C[N@@H+]1CCCCC[C@@H]1CO ZINC000386314838 487841365 /nfs/dbraw/zinc/84/13/65/487841365.db2.gz MOKKQIMJYXTKLG-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000253076596 487846695 /nfs/dbraw/zinc/84/66/95/487846695.db2.gz RJZIOHFTHWZEJC-QJPTWQEYSA-N 1 0 226.364 1.864 10 0 BDAERO OC[C@@H]1COCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000253071466 487846633 /nfs/dbraw/zinc/84/66/33/487846633.db2.gz NFKZLMAEVMVZDR-CHWSQXEVSA-N 1 0 233.311 1.019 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cccnc1Cl ZINC000308528545 631420976 /nfs/dbraw/zinc/42/09/76/631420976.db2.gz YORKKPVVQONVBC-DTWKUNHWSA-N 1 0 212.680 1.205 10 0 BDAERO CCN(C(=O)[C@@H]1CC[NH2+]C1)c1ccccc1C ZINC000062112291 487871478 /nfs/dbraw/zinc/87/14/78/487871478.db2.gz IXDIIOURBGALAX-GFCCVEGCSA-N 1 0 232.327 1.957 10 0 BDAERO CC[C@H]1CCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000128964388 487875158 /nfs/dbraw/zinc/87/51/58/487875158.db2.gz NZHPUHLCCXDOCN-QWRGUYRKSA-N 1 0 212.337 1.761 10 0 BDAERO CC(C)(CN[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000569566627 322970445 /nfs/dbraw/zinc/97/04/45/322970445.db2.gz FHEDZLWZBMJUST-SSDOTTSWSA-N 1 0 210.243 1.526 10 0 BDAERO OCCN1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000669848859 487883588 /nfs/dbraw/zinc/88/35/88/487883588.db2.gz WPRZYHRGDLGTSQ-IACUBPJLSA-N 1 0 238.375 1.221 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000226707993 487884362 /nfs/dbraw/zinc/88/43/62/487884362.db2.gz GQMFIBDZCYVJIR-JEZHCXPESA-N 1 0 239.319 1.534 10 0 BDAERO C[NH2+][C@H](C)CNc1ncnc2c1CCCC2 ZINC000304343074 487890232 /nfs/dbraw/zinc/89/02/32/487890232.db2.gz VZELOBDQXFXMML-SECBINFHSA-N 1 0 220.320 1.375 10 0 BDAERO COc1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000234956268 487896657 /nfs/dbraw/zinc/89/66/57/487896657.db2.gz GQLMFIPLTBERCC-GHMZBOCLSA-N 1 0 235.331 1.890 10 0 BDAERO CC(C)[C@H]1CN(c2ccccn2)CC[NH2+]1 ZINC000083344482 487904788 /nfs/dbraw/zinc/90/47/88/487904788.db2.gz NSMVCAUSFJQGGX-LLVKDONJSA-N 1 0 205.305 1.516 10 0 BDAERO CCC[C@H](C)NC(=O)NC[C@H](C)[NH2+]C ZINC000668540731 487909222 /nfs/dbraw/zinc/90/92/22/487909222.db2.gz CQAJXUUPGZEBBB-IUCAKERBSA-N 1 0 201.314 1.082 10 0 BDAERO CCC[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000668540717 487909234 /nfs/dbraw/zinc/90/92/34/487909234.db2.gz CHVLZUYSDNFGLA-HBNTYKKESA-N 1 0 227.352 1.602 10 0 BDAERO CCC[C@@H](C)NC(=O)N1CC[NH2+]C[C@H]1C ZINC000668540964 487910421 /nfs/dbraw/zinc/91/04/21/487910421.db2.gz HJIQOJLDUQKFTQ-NXEZZACHSA-N 1 0 213.325 1.178 10 0 BDAERO CCC[C@H](C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000668542007 487915008 /nfs/dbraw/zinc/91/50/08/487915008.db2.gz ZPHNYZPZYIXIIA-VHSXEESVSA-N 1 0 213.325 1.308 10 0 BDAERO [NH3+]C1CCC(C(=O)NCCCC2CC2)CC1 ZINC000157744042 487919317 /nfs/dbraw/zinc/91/93/17/487919317.db2.gz IYVKLMZCSXPUAG-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO CCc1nsc(N2CC[C@@H](C[NH2+]C)C2)n1 ZINC000083670618 487926398 /nfs/dbraw/zinc/92/63/98/487926398.db2.gz HXFMKYOJPPJLHN-QMMMGPOBSA-N 1 0 226.349 1.146 10 0 BDAERO CN(C)C1(C[NH2+][C@@H]2CCCC[C@H]2O)CCC1 ZINC000165205087 487933268 /nfs/dbraw/zinc/93/32/68/487933268.db2.gz POCNPUVNWCKLOA-VXGBXAGGSA-N 1 0 226.364 1.364 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1Cc2ccccc21 ZINC000235292600 487940851 /nfs/dbraw/zinc/94/08/51/487940851.db2.gz OOOAMEHMDCKESZ-MPKXVKKWSA-N 1 0 244.338 1.298 10 0 BDAERO CC[C@H](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000659339903 487943153 /nfs/dbraw/zinc/94/31/53/487943153.db2.gz FCKPAZFAAYFJMS-DCAQKATOSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1C[C@@H]1C ZINC000083863010 487953905 /nfs/dbraw/zinc/95/39/05/487953905.db2.gz KSPADPNIZHMNCZ-DCAQKATOSA-N 1 0 212.337 1.522 10 0 BDAERO OC1CC(C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000084446286 322835505 /nfs/dbraw/zinc/83/55/05/322835505.db2.gz GUZFAVHZGQUWLJ-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC(C)(C)C ZINC000124924726 323000370 /nfs/dbraw/zinc/00/03/70/323000370.db2.gz SUXZKHXKHPUQMH-NSHDSACASA-N 1 0 241.379 1.911 10 0 BDAERO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000570899926 323073600 /nfs/dbraw/zinc/07/36/00/323073600.db2.gz YQSINEHHYYEEDF-VXGBXAGGSA-N 1 0 228.380 1.731 10 0 BDAERO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000308800553 323081339 /nfs/dbraw/zinc/08/13/39/323081339.db2.gz MKAYKXGINOENTQ-GHMZBOCLSA-N 1 0 215.337 1.098 10 0 BDAERO C[C@@H]1CCCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000394773435 323108622 /nfs/dbraw/zinc/10/86/22/323108622.db2.gz GPFPMCWNJNTWPS-BDAKNGLRSA-N 1 0 249.305 1.410 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000563350339 323120185 /nfs/dbraw/zinc/12/01/85/323120185.db2.gz WXKOSZDXQYYAKN-RYUDHWBXSA-N 1 0 236.363 1.776 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1cscn1 ZINC000563451690 323126610 /nfs/dbraw/zinc/12/66/10/323126610.db2.gz PYJJYZAOZZDZAA-CIUDSAMLSA-N 1 0 239.344 1.448 10 0 BDAERO Cn1cncc1CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000315038523 323216859 /nfs/dbraw/zinc/21/68/59/323216859.db2.gz HVOIMSBPUKZNBI-GFCCVEGCSA-N 1 0 237.347 1.057 10 0 BDAERO CC(C)n1cncc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324279902 323226706 /nfs/dbraw/zinc/22/67/06/323226706.db2.gz OGOBLFNSOIZPKK-GFCCVEGCSA-N 1 0 239.363 1.961 10 0 BDAERO Cc1cncc(C[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000324451198 323234725 /nfs/dbraw/zinc/23/47/25/323234725.db2.gz GGSVTWGNGCKYLS-GFCCVEGCSA-N 1 0 222.332 1.887 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC[C@@H](C)O)C1(C)C ZINC000309139324 323319868 /nfs/dbraw/zinc/31/98/68/323319868.db2.gz GSYMGQOSJYTOAU-LMLFDSFASA-N 1 0 215.337 1.406 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccoc2C)c1 ZINC000321566045 323384546 /nfs/dbraw/zinc/38/45/46/323384546.db2.gz UGLZFHUPTFQKRK-UHFFFAOYSA-N 1 0 219.288 1.883 10 0 BDAERO CCC[C@@H](C(=O)N[C@@H](CC)COC)[NH+](C)C ZINC000162798333 323644629 /nfs/dbraw/zinc/64/46/29/323644629.db2.gz PYIGQYIAPPAUHD-QWRGUYRKSA-N 1 0 230.352 1.258 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)C[C@H](C)O1 ZINC000527816906 323701411 /nfs/dbraw/zinc/70/14/11/323701411.db2.gz XRGQDYRAJYNPLZ-NWBXKSJZSA-N 1 0 213.321 1.303 10 0 BDAERO CO[C@H]1C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000536948284 323950408 /nfs/dbraw/zinc/95/04/08/323950408.db2.gz PTQMQCURMJQIIV-BXKDBHETSA-N 1 0 244.335 1.278 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H](N2CCC2)C1 ZINC000536957660 323968954 /nfs/dbraw/zinc/96/89/54/323968954.db2.gz CVFGRNLJPWBMJU-GHMZBOCLSA-N 1 0 240.347 1.012 10 0 BDAERO c1cncc(CO[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC000253595573 324191572 /nfs/dbraw/zinc/19/15/72/324191572.db2.gz GGXNHJLWTWLWSL-NSHDSACASA-N 1 0 236.340 1.446 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1ncnc2c1CCC2 ZINC000070010982 324990065 /nfs/dbraw/zinc/99/00/65/324990065.db2.gz LQEWXOPLSDUQST-SNVBAGLBSA-N 1 0 220.320 1.361 10 0 BDAERO CCN(C)C(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000130337794 325042512 /nfs/dbraw/zinc/04/25/12/325042512.db2.gz VVJPACDQQWSDJJ-JTQLQIEISA-N 1 0 230.377 1.292 10 0 BDAERO CCC[C@H](C(=O)N1CC[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000131446595 325152725 /nfs/dbraw/zinc/15/27/25/325152725.db2.gz YDZJDUZRTZIPFR-GRYCIOLGSA-N 1 0 226.364 1.974 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2ccn(C)n2)C[C@@H](C)O1 ZINC000545253948 325202749 /nfs/dbraw/zinc/20/27/49/325202749.db2.gz KQACJZBFGGKPOY-GHMZBOCLSA-N 1 0 237.347 1.713 10 0 BDAERO CCC[C@@H](C(=O)N(C)C[C@H]1CCOC1)[NH+](C)C ZINC000132678196 325235573 /nfs/dbraw/zinc/23/55/73/325235573.db2.gz JQJJZJCOUAPOMK-NEPJUHHUSA-N 1 0 242.363 1.212 10 0 BDAERO OC1CC(C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000091426638 325686719 /nfs/dbraw/zinc/68/67/19/325686719.db2.gz SHEQCOJCIDULHU-UHFFFAOYSA-N 1 0 235.283 1.276 10 0 BDAERO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000252729633 325693335 /nfs/dbraw/zinc/69/33/35/325693335.db2.gz HORGLCZSNYSCTE-AGIUHOORSA-N 1 0 226.364 1.485 10 0 BDAERO Cc1nc(C[NH2+][C@@H]2CCO[C@@H]2C)[nH]c1C ZINC000565241349 325884714 /nfs/dbraw/zinc/88/47/14/325884714.db2.gz CWTFHAZYLWXJRT-NXEZZACHSA-N 1 0 209.293 1.294 10 0 BDAERO CCC[C@@H](C(=O)NC[C@]1(C)CCCO1)[NH+](C)C ZINC000153481954 325973314 /nfs/dbraw/zinc/97/33/14/325973314.db2.gz NFDUTYXQFQPMPV-AAEUAGOBSA-N 1 0 242.363 1.402 10 0 BDAERO CCC[C@@H](C(=O)NCCCF)[NH+](C)C ZINC000159096126 326349615 /nfs/dbraw/zinc/34/96/15/326349615.db2.gz BWIPJTUZJONSJD-VIFPVBQESA-N 1 0 204.289 1.193 10 0 BDAERO OC1CC(C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000164809240 326417334 /nfs/dbraw/zinc/41/73/34/326417334.db2.gz WNXOIOVYSSNCON-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO CCOc1cncc(N[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000165742088 326426119 /nfs/dbraw/zinc/42/61/19/326426119.db2.gz NGGNCIBIXXVHSQ-BDAKNGLRSA-N 1 0 224.308 1.413 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC1(C)CCOCC1 ZINC000229901832 487987611 /nfs/dbraw/zinc/98/76/11/487987611.db2.gz PWMZTDFZKVXVOB-SNVBAGLBSA-N 1 0 228.336 1.045 10 0 BDAERO CN1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC1(C)C ZINC000310414988 487991263 /nfs/dbraw/zinc/99/12/63/487991263.db2.gz MXVPWLBFOXEOPN-CHWSQXEVSA-N 1 0 240.391 1.564 10 0 BDAERO CC(C)[C@](C)([NH2+]C[C@H]1CCC[C@H](O)C1)C(N)=O ZINC000310103787 488004205 /nfs/dbraw/zinc/00/42/05/488004205.db2.gz CHNDZQJEGNBTHE-GVXVVHGQSA-N 1 0 242.363 1.027 10 0 BDAERO C[C@H](C[NH2+]C[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000668615898 488008964 /nfs/dbraw/zinc/00/89/64/488008964.db2.gz BDFNBIMWJGBNBR-CHWSQXEVSA-N 1 0 246.354 1.858 10 0 BDAERO Cc1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)co1 ZINC000310461062 488028320 /nfs/dbraw/zinc/02/83/20/488028320.db2.gz FHBPYVWWNPMGEB-DLOVCJGASA-N 1 0 221.304 1.152 10 0 BDAERO CC[C@H]1CN(c2ccc(F)cn2)CC[C@@H]1[NH3+] ZINC000147546014 488036218 /nfs/dbraw/zinc/03/62/18/488036218.db2.gz ONKGBBBPFGYBOM-ONGXEEELSA-N 1 0 223.295 1.784 10 0 BDAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CO1 ZINC000396867474 488041690 /nfs/dbraw/zinc/04/16/90/488041690.db2.gz ZPGXAMVZZLIJKH-SDDRHHMPSA-N 1 0 227.348 1.695 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084308462 488042162 /nfs/dbraw/zinc/04/21/62/488042162.db2.gz UZNYADAPLJZDSP-ZJUUUORDSA-N 1 0 212.337 1.666 10 0 BDAERO Cc1cccc(N2CC[NH2+]C[C@@H]2C(C)C)n1 ZINC000083350127 488042336 /nfs/dbraw/zinc/04/23/36/488042336.db2.gz QVYYZSAAYOVXFN-GFCCVEGCSA-N 1 0 219.332 1.824 10 0 BDAERO CC(C)CN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084309259 488042977 /nfs/dbraw/zinc/04/29/77/488042977.db2.gz ALZNHDOUQMNVGU-QWRGUYRKSA-N 1 0 212.337 1.476 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1CCCC1 ZINC000084309378 488043778 /nfs/dbraw/zinc/04/37/78/488043778.db2.gz JOPOQDLURKIAPC-RYUDHWBXSA-N 1 0 224.348 1.668 10 0 BDAERO CCN(CC1CC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084311017 488045085 /nfs/dbraw/zinc/04/50/85/488045085.db2.gz ZQSVNZRSIVTQDX-NEPJUHHUSA-N 1 0 224.348 1.620 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccsc1 ZINC000084310882 488044805 /nfs/dbraw/zinc/04/48/05/488044805.db2.gz PAKJWIREVSMBGY-WDEREUQCSA-N 1 0 238.356 1.739 10 0 BDAERO [NH3+]C[C@@H](NC(=O)C[C@H]1C=CCC1)C(F)(F)F ZINC000401703008 488049246 /nfs/dbraw/zinc/04/92/46/488049246.db2.gz BFQATGLPWFHRIQ-JGVFFNPUSA-N 1 0 236.237 1.349 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000052395641 488054373 /nfs/dbraw/zinc/05/43/73/488054373.db2.gz COEMBVQTTSAIFD-MRVPVSSYSA-N 1 0 238.287 1.250 10 0 BDAERO CCO[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000091546878 488055136 /nfs/dbraw/zinc/05/51/36/488055136.db2.gz KDDCQFBZNZQOPI-SDDRHHMPSA-N 1 0 240.347 1.141 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000052395671 488055373 /nfs/dbraw/zinc/05/53/73/488055373.db2.gz SGHFRGHSLZJECX-KOLCDFICSA-N 1 0 234.299 1.234 10 0 BDAERO CO[C@]1(CO)CCC[N@@H+]([C@H](C)C(C)C)C1 ZINC000401973161 488075279 /nfs/dbraw/zinc/07/52/79/488075279.db2.gz PLRTUJSPPUCEPS-VXGBXAGGSA-N 1 0 215.337 1.504 10 0 BDAERO OCC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000310206780 488079420 /nfs/dbraw/zinc/07/94/20/488079420.db2.gz DARVSSXTNGGFGL-MELADBBJSA-N 1 0 241.375 1.632 10 0 BDAERO CO[C@]1(C)CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000230280537 488081565 /nfs/dbraw/zinc/08/15/65/488081565.db2.gz QFEXTBPCTLGGIB-IJLUTSLNSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@H]([NH3+])CNc1ccc2ccccc2n1 ZINC000084718372 488084375 /nfs/dbraw/zinc/08/43/75/488084375.db2.gz JIVYBNPOJPGHGG-VIFPVBQESA-N 1 0 201.273 1.994 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1c(C)noc1C ZINC000092329937 488088987 /nfs/dbraw/zinc/08/89/87/488088987.db2.gz BUOJEPWWZBDWKX-XCBNKYQSSA-N 1 0 239.319 1.596 10 0 BDAERO CC[C@@H](NC(=O)[C@H]([NH3+])COC)C1CCCCC1 ZINC000159889856 488091276 /nfs/dbraw/zinc/09/12/76/488091276.db2.gz RXZDCNDNEXDZSZ-VXGBXAGGSA-N 1 0 242.363 1.435 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cccc(F)c1 ZINC000136308685 488093924 /nfs/dbraw/zinc/09/39/24/488093924.db2.gz KDUCFKBZNLOQCX-LBPRGKRZSA-N 1 0 238.306 1.815 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)c1nccs1 ZINC000236941592 488099347 /nfs/dbraw/zinc/09/93/47/488099347.db2.gz LQSFBMPTACLPBT-HTQZYQBOSA-N 1 0 227.333 1.479 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCCCO1 ZINC000136439687 488102546 /nfs/dbraw/zinc/10/25/46/488102546.db2.gz DZTNZNSITWMCJD-RYUDHWBXSA-N 1 0 242.363 1.387 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000389718752 488108603 /nfs/dbraw/zinc/10/86/03/488108603.db2.gz CHWBSZVHVORFBV-RMPHRYRLSA-N 1 0 222.332 1.147 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000310548241 488129180 /nfs/dbraw/zinc/12/91/80/488129180.db2.gz VQXSCWUPWWRFLQ-HZSPNIEDSA-N 1 0 241.375 1.774 10 0 BDAERO CN(CCC(C)(C)C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000258774361 488134006 /nfs/dbraw/zinc/13/40/06/488134006.db2.gz SFYKUTTYWLTJLH-SNVBAGLBSA-N 1 0 212.337 1.491 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCC(C)(C)C ZINC000399704091 487542956 /nfs/dbraw/zinc/54/29/56/487542956.db2.gz BUFSRACWTUGARA-GHMZBOCLSA-N 1 0 226.364 1.737 10 0 BDAERO [NH3+]C[C@H]1CCCN1C[C@@H]1CCOc2ccccc21 ZINC000161973047 487530194 /nfs/dbraw/zinc/53/01/94/487530194.db2.gz DLHBNUIUTAHSDB-QWHCGFSZSA-N 1 0 246.354 1.976 10 0 BDAERO C[C@H]([N@H+](C)C[C@H]1CCC[C@@H](O)C1)C(C)(C)O ZINC000382820383 487556485 /nfs/dbraw/zinc/55/64/85/487556485.db2.gz XCRJRZNTDKUVRX-SDDRHHMPSA-N 1 0 229.364 1.629 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)C[C@H]1C ZINC000086013600 487471680 /nfs/dbraw/zinc/47/16/80/487471680.db2.gz CUJKVMLDNRJUSC-QYNFOATHSA-N 1 0 224.348 1.618 10 0 BDAERO CC1CC(C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000381457380 487472135 /nfs/dbraw/zinc/47/21/35/487472135.db2.gz JSNKATDQJSZBSH-VQXHTEKXSA-N 1 0 210.321 1.372 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)o1 ZINC000231743882 487473660 /nfs/dbraw/zinc/47/36/60/487473660.db2.gz XXLHPKSZNJNNIO-IVZWLZJFSA-N 1 0 237.303 1.288 10 0 BDAERO COc1c(N)ncnc1N[C@H](C)c1ncc(C)o1 ZINC000231762527 487473687 /nfs/dbraw/zinc/47/36/87/487473687.db2.gz HWCZMFQWTVZNCF-SSDOTTSWSA-N 1 0 249.274 1.537 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)C[NH2+]C(C)C)o1 ZINC000231743826 487474232 /nfs/dbraw/zinc/47/42/32/487474232.db2.gz MNWQVZUBUQBCGS-VIFPVBQESA-N 1 0 225.292 1.158 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC2(CC2(F)F)CC1 ZINC000405108636 487475114 /nfs/dbraw/zinc/47/51/14/487475114.db2.gz AJNRXEOKDLKWBO-MRVPVSSYSA-N 1 0 232.274 1.242 10 0 BDAERO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668226700 487487817 /nfs/dbraw/zinc/48/78/17/487487817.db2.gz RMLDHGLFMYPAOM-CYDGBPFRSA-N 1 0 225.332 1.305 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000381037753 487493536 /nfs/dbraw/zinc/49/35/36/487493536.db2.gz DBANUNITQVPTNE-XQQFMLRXSA-N 1 0 227.348 1.242 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000381037747 487493638 /nfs/dbraw/zinc/49/36/38/487493638.db2.gz DBANUNITQVPTNE-AVGNSLFASA-N 1 0 227.348 1.242 10 0 BDAERO C[C@H]([NH3+])[C@H]1CN(CC2CCC(C)CC2)CCO1 ZINC000227719776 487493948 /nfs/dbraw/zinc/49/39/48/487493948.db2.gz NOYHKIKFNFSKHF-GNRIBBGQSA-N 1 0 240.391 1.861 10 0 BDAERO C[C@H]1CC[C@@H](Cn2cc(C(C)(C)[NH3+])nn2)O1 ZINC000232033412 487499405 /nfs/dbraw/zinc/49/94/05/487499405.db2.gz QVDQQCJQBKYQJB-IUCAKERBSA-N 1 0 224.308 1.039 10 0 BDAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000381509161 487510733 /nfs/dbraw/zinc/51/07/33/487510733.db2.gz VHMZUATZVQQDNE-NAKRPEOUSA-N 1 0 242.388 1.372 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000659379443 487519097 /nfs/dbraw/zinc/51/90/97/487519097.db2.gz HREAJVLJTWDAKU-PTRXPTGYSA-N 1 0 210.321 1.419 10 0 BDAERO CCOCC[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000308819301 487522800 /nfs/dbraw/zinc/52/28/00/487522800.db2.gz BWNVCUJWRDZEAL-VXGBXAGGSA-N 1 0 215.337 1.506 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC000658052035 487534379 /nfs/dbraw/zinc/53/43/79/487534379.db2.gz GYBVHVGANGBTFO-OPRDCNLKSA-N 1 0 210.321 1.289 10 0 BDAERO CO[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC[C@@H]1C ZINC000310555166 488162731 /nfs/dbraw/zinc/16/27/31/488162731.db2.gz YBEUSTQGFFNUKA-REWJHTLYSA-N 1 0 241.375 1.894 10 0 BDAERO C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249858189 487724829 /nfs/dbraw/zinc/72/48/29/487724829.db2.gz VDLVFLWKBDRFCK-JGPRNRPPSA-N 1 0 210.321 1.100 10 0 BDAERO CCCc1nccnc1N[C@@H](C)C[C@H](C)[NH3+] ZINC000663274318 487890590 /nfs/dbraw/zinc/89/05/90/487890590.db2.gz MUXDWUNEZFTPDO-UWVGGRQHSA-N 1 0 222.336 1.967 10 0 BDAERO O=C1NCCC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000657862248 488155004 /nfs/dbraw/zinc/15/50/04/488155004.db2.gz ZRPCYESOXJTVAD-VHSXEESVSA-N 1 0 228.361 1.140 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCOC1 ZINC000380115211 488173246 /nfs/dbraw/zinc/17/32/46/488173246.db2.gz SXUZZTPSYYWFAI-IJLUTSLNSA-N 1 0 213.321 1.258 10 0 BDAERO [NH3+]Cc1cn(C[C@@H]2Cc3ccccc32)nn1 ZINC000085576551 488185738 /nfs/dbraw/zinc/18/57/38/488185738.db2.gz BFIVRZGXRJNJCN-JTQLQIEISA-N 1 0 214.272 1.077 10 0 BDAERO CO[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CC[C@H]1C ZINC000299913564 488194664 /nfs/dbraw/zinc/19/46/64/488194664.db2.gz PIKJAPACZJSQNK-DDHJBXDOSA-N 1 0 213.321 1.257 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000054072996 488205263 /nfs/dbraw/zinc/20/52/63/488205263.db2.gz ZVTSIWAAHRFCLK-JGVFFNPUSA-N 1 0 242.269 1.750 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1ccncc1 ZINC000054072475 488205586 /nfs/dbraw/zinc/20/55/86/488205586.db2.gz CJWWKYUOKRWYOL-ZYHUDNBSSA-N 1 0 233.315 1.353 10 0 BDAERO Cc1nc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)co1 ZINC000398823326 488224728 /nfs/dbraw/zinc/22/47/28/488224728.db2.gz ZOXJINGZIBXOSZ-GVXVVHGQSA-N 1 0 236.315 1.576 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)C[C@H]2C1 ZINC000399041470 488226609 /nfs/dbraw/zinc/22/66/09/488226609.db2.gz HNFURRAILOYRBQ-RYMFRWLXSA-N 1 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CON(CC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000308529550 566298510 /nfs/dbraw/zinc/29/85/10/566298510.db2.gz JSONJMAJICZDKJ-JTQLQIEISA-N 1 0 200.326 1.648 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH3+])[C@H](F)C1 ZINC000215170855 566298610 /nfs/dbraw/zinc/29/86/10/566298610.db2.gz NBOGKMXMCRIGDG-RKDXNWHRSA-N 1 0 232.299 1.683 10 0 BDAERO CCCc1cnc(CN2CC[NH2+]CC2)o1 ZINC000669372465 566421226 /nfs/dbraw/zinc/42/12/26/566421226.db2.gz PNPAMEXNLHUIHR-UHFFFAOYSA-N 1 0 209.293 1.032 10 0 BDAERO CC(=O)N1[C@@H](CC[NH3+])CCC[C@H]1C(F)(F)F ZINC000675073948 566454153 /nfs/dbraw/zinc/45/41/53/566454153.db2.gz VWELVIMKDMGCMH-BDAKNGLRSA-N 1 0 238.253 1.667 10 0 BDAERO CC(C)(C)OC(=O)[C@@H](C[NH3+])C[C@H]1CCOC1 ZINC000232495204 566491257 /nfs/dbraw/zinc/49/12/57/566491257.db2.gz LYNLEKWJNJVKNX-NXEZZACHSA-N 1 0 229.320 1.330 10 0 BDAERO Cc1coc2c(c1=O)[C@H]1CC[C@@H](C2)[N@H+]1C ZINC000004098886 560196230 /nfs/dbraw/zinc/19/62/30/560196230.db2.gz ODQUOOUDMCGJCX-DTWKUNHWSA-N 1 0 205.257 1.640 10 0 in-vitro BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(O)cc2)no1 ZINC000111256269 588738004 /nfs/dbraw/zinc/73/80/04/588738004.db2.gz LQYJTWOTTXCXQQ-LDYMZIIASA-N 1 0 245.282 1.765 10 0 BDAERO C[C@H](C[NH3+])c1noc(-c2ccc3c(c2)COC3)n1 ZINC000111306999 588741567 /nfs/dbraw/zinc/74/15/67/588741567.db2.gz FSTCXOFORAMGOP-MRVPVSSYSA-N 1 0 245.282 1.829 10 0 BDAERO COCCOC[C@H]([NH3+])c1ccc(C)cc1 ZINC000019266211 582458164 /nfs/dbraw/zinc/45/81/64/582458164.db2.gz BANIOZCZPAHLKU-LBPRGKRZSA-N 1 0 209.289 1.658 10 0 BDAERO CC(C)[C@H]([NH2+]Cc1cccc(F)c1)C(N)=O ZINC000107323018 582460081 /nfs/dbraw/zinc/46/00/81/582460081.db2.gz DWPUQAXBFWVGRJ-NSHDSACASA-N 1 0 224.279 1.425 10 0 BDAERO C[C@H](F)CN1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757124969 582499809 /nfs/dbraw/zinc/49/98/09/582499809.db2.gz COTBLQBOZHRQSR-SRVKXCTJSA-N 1 0 214.328 1.951 10 0 BDAERO Cc1nc(C(=O)[C@@H]2C[C@H]2C)sc1C[NH3+] ZINC000757127084 582502256 /nfs/dbraw/zinc/50/22/56/582502256.db2.gz XLYWAQAFYSSSKF-IYSWYEEDSA-N 1 0 210.302 1.749 10 0 BDAERO CC1([C@@H](O)c2nc(CC[NH3+])cs2)CC1 ZINC000757127611 582503476 /nfs/dbraw/zinc/50/34/76/582503476.db2.gz JJWVHLNGVUFASY-QMMMGPOBSA-N 1 0 212.318 1.478 10 0 BDAERO C[C@H](F)C[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757129036 582504589 /nfs/dbraw/zinc/50/45/89/582504589.db2.gz KQDDLNSMCGTOFI-WCQYABFASA-N 1 0 226.339 1.905 10 0 BDAERO COC[C@H](C)[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757133831 582510217 /nfs/dbraw/zinc/51/02/17/582510217.db2.gz VDOZXUMQBILGKM-GXTWGEPZSA-N 1 0 238.375 1.582 10 0 BDAERO C[C@@H](N1CCC[C@]12CC[NH2+]C2)C(F)(F)F ZINC000757134104 582510299 /nfs/dbraw/zinc/51/02/99/582510299.db2.gz KIZKSHBXSPAIGS-RKDXNWHRSA-N 1 0 222.254 1.765 10 0 BDAERO CC(C)[C@H]1O[C@]2(CCOC2)[NH2+]CC12CC2 ZINC000757139324 582519076 /nfs/dbraw/zinc/51/90/76/582519076.db2.gz GSTOHYLYSIJLCO-PWSUYJOCSA-N 1 0 211.305 1.528 10 0 BDAERO CN1CC[C@@]2(C1)[NH2+][C@@H](c1ccccc1)CCO2 ZINC000757139012 582519189 /nfs/dbraw/zinc/51/91/89/582519189.db2.gz CRONFAWYCWWEFN-ZIAGYGMSSA-N 1 0 232.327 1.769 10 0 BDAERO COC(=O)[C@H]1[C@@H]([NH3+])c2ccccc2[C@H]1C ZINC000757139088 582519221 /nfs/dbraw/zinc/51/92/21/582519221.db2.gz DBUMQIFYSCNHKK-ONOSFVFSSA-N 1 0 205.257 1.593 10 0 BDAERO C1CC1[C@H]1CCO[C@]2(CN3CCC2CC3)[NH2+]1 ZINC000757139377 582519571 /nfs/dbraw/zinc/51/95/71/582519571.db2.gz GTPLKZUSLJKCTG-OLZOCXBDSA-N 1 0 222.332 1.197 10 0 BDAERO FC1(F)CCC2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757139942 582520469 /nfs/dbraw/zinc/52/04/69/582520469.db2.gz IWPIVORXMVLZHB-UHFFFAOYSA-N 1 0 233.258 1.528 10 0 BDAERO C1CC1[C@@H]1C[NH2+][C@]2(CCCOCC2)OC1 ZINC000757141644 582522364 /nfs/dbraw/zinc/52/23/64/582522364.db2.gz ALAJLSGNUFTFHJ-VXGBXAGGSA-N 1 0 211.305 1.529 10 0 BDAERO C1CC2(C1)C[NH2+][C@]1(CCOC1)OC21CCC1 ZINC000757142707 582522739 /nfs/dbraw/zinc/52/27/39/582522739.db2.gz LSGOSUIKNPEYAN-CYBMUJFWSA-N 1 0 223.316 1.816 10 0 BDAERO CC1(C)CCC[C@@H](CN2CC[C@H]2C[NH3+])O1 ZINC000757145511 582528068 /nfs/dbraw/zinc/52/80/68/582528068.db2.gz MUUHQTRUBOSGAX-QWRGUYRKSA-N 1 0 212.337 1.367 10 0 BDAERO C1CC1[C@H]1CC[NH2+]C2(CCSCC2)O1 ZINC000757146725 582529571 /nfs/dbraw/zinc/52/95/71/582529571.db2.gz LDVXLVLVHFNPPT-SNVBAGLBSA-N 1 0 213.346 1.998 10 0 BDAERO CC[C@H](CC(F)F)CN1CC[C@@H]1C[NH3+] ZINC000757146395 582529686 /nfs/dbraw/zinc/52/96/86/582529686.db2.gz NIFITUALVBMXDL-RKDXNWHRSA-N 1 0 206.280 1.701 10 0 BDAERO Cc1ccc(F)cc1CN1CC[C@H]1C[NH3+] ZINC000757146346 582529828 /nfs/dbraw/zinc/52/98/28/582529828.db2.gz QAIJAMQJXZQAHI-LBPRGKRZSA-N 1 0 208.280 1.667 10 0 BDAERO CC(C)[C@@H]1O[C@]2(CC[NH2+]C2)NCC1(C)C ZINC000757146770 582530585 /nfs/dbraw/zinc/53/05/85/582530585.db2.gz LIPUPDLOBNFQBB-JQWIXIFHSA-N 1 0 212.337 1.347 10 0 BDAERO COC[C@@H]1CCOC2(CC(CF)(CF)C2)[NH2+]1 ZINC000757147518 582532364 /nfs/dbraw/zinc/53/23/64/582532364.db2.gz LXOCFAPJMLTPFS-VIFPVBQESA-N 1 0 235.274 1.427 10 0 BDAERO C1CCC2(C1)C[NH2+][C@]1(CN3CCC1CC3)OC2 ZINC000757148443 582532945 /nfs/dbraw/zinc/53/29/45/582532945.db2.gz VBAIOSNHYBKRMJ-CQSZACIVSA-N 1 0 236.359 1.589 10 0 BDAERO C1CCC2(C1)C[NH2+]C1(CCOCC1)OC2 ZINC000757150465 582535124 /nfs/dbraw/zinc/53/51/24/582535124.db2.gz YQHJWAJSDWSBDG-UHFFFAOYSA-N 1 0 211.305 1.673 10 0 BDAERO CC1(C)CCNC2(C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000757152821 582537230 /nfs/dbraw/zinc/53/72/30/582537230.db2.gz UYELFEBAFUDQHE-DHHPTOIESA-N 1 0 210.321 1.386 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](CO)SCc1occc1C ZINC000757164021 582545920 /nfs/dbraw/zinc/54/59/20/582545920.db2.gz GNCMVRVIFHVYRH-MWLCHTKSSA-N 1 0 229.345 1.919 10 0 BDAERO CCc1ccc(CSC[C@@H]([NH3+])CO)o1 ZINC000757168510 582549259 /nfs/dbraw/zinc/54/92/59/582549259.db2.gz ALJHMWREVNGKGZ-QMMMGPOBSA-N 1 0 215.318 1.395 10 0 BDAERO CCc1ccc(CSCC[C@H]([NH3+])CO)o1 ZINC000757170872 582550787 /nfs/dbraw/zinc/55/07/87/582550787.db2.gz RJTDSAKYFIAEOV-VIFPVBQESA-N 1 0 229.345 1.785 10 0 BDAERO C[C@@H](SCc1ccc(Cl)o1)[C@@H]([NH3+])C(N)=O ZINC000757171667 582551120 /nfs/dbraw/zinc/55/11/20/582551120.db2.gz VIXANZLJIZANII-SVGQVSJJSA-N 1 0 248.735 1.367 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)o1 ZINC000757192520 582556945 /nfs/dbraw/zinc/55/69/45/582556945.db2.gz ZFEMSYOEGUMBJW-HTQZYQBOSA-N 1 0 243.690 1.799 10 0 BDAERO Cc1cncc(SC[C@H]2C[NH2+]CCO2)c1 ZINC000757209816 582560306 /nfs/dbraw/zinc/56/03/06/582560306.db2.gz GNCADABDNMIRJE-SNVBAGLBSA-N 1 0 224.329 1.471 10 0 BDAERO [NH3+][C@H]1CCCN[C@H]1c1cccc2cc[nH]c21 ZINC000757217814 582561962 /nfs/dbraw/zinc/56/19/62/582561962.db2.gz SQEHKOFJMCHYHT-AAEUAGOBSA-N 1 0 215.300 1.920 10 0 BDAERO N[C@@H]1C[NH2+]C[C@@H](c2cccc3cc[nH]c32)C1 ZINC000757217812 582562014 /nfs/dbraw/zinc/56/20/14/582562014.db2.gz SNRCLOWWJLILMO-QWRGUYRKSA-N 1 0 215.300 1.572 10 0 BDAERO CC(=O)c1cccc([C@@H]2CC[NH2+]C[C@@H]2N)c1 ZINC000757218014 582562527 /nfs/dbraw/zinc/56/25/27/582562527.db2.gz UQFLDSUPUKGWLX-STQMWFEESA-N 1 0 218.300 1.293 10 0 BDAERO C[C@@H]1C[C@@H](c2cccc(N)c2)NC[C@@H]1[NH3+] ZINC000757219596 582563409 /nfs/dbraw/zinc/56/34/09/582563409.db2.gz YZGQIVIUTCPPDS-ZHAHWJHGSA-N 1 0 205.305 1.267 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@H]2c2ccccc2)N1 ZINC000235695392 582603650 /nfs/dbraw/zinc/60/36/50/582603650.db2.gz MNPDGNSFWZIEOX-JQWIXIFHSA-N 1 0 215.300 1.781 10 0 BDAERO [NH3+]Cc1ccnc2cc(C(F)(F)F)nn21 ZINC000236170231 582639796 /nfs/dbraw/zinc/63/97/96/582639796.db2.gz QBVBQVUEOGUAQT-UHFFFAOYSA-N 1 0 216.166 1.207 10 0 BDAERO Fc1ccc([C@H]2CCNC3=[NH+]CCN32)cc1 ZINC000236233885 582642189 /nfs/dbraw/zinc/64/21/89/582642189.db2.gz FOSMQIZHGOXNAJ-LLVKDONJSA-N 1 0 219.263 1.532 10 0 BDAERO COP(=O)(C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]12)OC ZINC000379789774 582683477 /nfs/dbraw/zinc/68/34/77/582683477.db2.gz YBEZVTZHYUWYRU-BBBLOLIVSA-N 1 0 233.248 1.860 10 0 BDAERO [NH3+]C1([C@H](O)c2ccccc2Br)CC1 ZINC000258227961 582701108 /nfs/dbraw/zinc/70/11/08/582701108.db2.gz KUIIWSJWDVQNNY-SECBINFHSA-N 1 0 242.116 1.974 10 0 BDAERO Cc1cc(N)nc(N[C@H](C)[C@H]2CCCO2)[nH+]1 ZINC000891718804 582712979 /nfs/dbraw/zinc/71/29/79/582712979.db2.gz OAYNNAKHTPJSNK-RKDXNWHRSA-N 1 0 222.292 1.347 10 0 BDAERO c1nnn([C@@H]2CCC[NH2+]C2)c1-c1ccccc1 ZINC000258922146 582753214 /nfs/dbraw/zinc/75/32/14/582753214.db2.gz PTMRYOHIRCRPJQ-GFCCVEGCSA-N 1 0 228.299 1.870 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000393655593 582850107 /nfs/dbraw/zinc/85/01/07/582850107.db2.gz GOLZZPZPAWJHLC-NXEZZACHSA-N 1 0 203.326 1.266 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394488679 582986993 /nfs/dbraw/zinc/98/69/93/582986993.db2.gz PWSNUFDGVFHUSK-FZMZJTMJSA-N 1 0 245.326 1.560 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H](C)CCCCO)C1 ZINC000394581317 582995376 /nfs/dbraw/zinc/99/53/76/582995376.db2.gz ZDCVDLBIRRZREU-OLZOCXBDSA-N 1 0 228.380 1.611 10 0 BDAERO CCC(C)(C)NC(=O)NCC1CC([NH3+])C1 ZINC000396025560 583076512 /nfs/dbraw/zinc/07/65/12/583076512.db2.gz WRIMCSVKRYDWGA-UHFFFAOYSA-N 1 0 213.325 1.212 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000397816385 583109335 /nfs/dbraw/zinc/10/93/35/583109335.db2.gz JQYRNIANGQWHLC-UPJWGTAASA-N 1 0 240.391 1.731 10 0 BDAERO CC(C)[C@@H]1CCNc2nc(CCC[NH3+])nn21 ZINC000232691835 583205305 /nfs/dbraw/zinc/20/53/05/583205305.db2.gz VKSNICFHATUPDB-VIFPVBQESA-N 1 0 223.324 1.182 10 0 BDAERO CC(C)(O)C[NH2+]CCSC(F)(F)F ZINC000123382233 584943155 /nfs/dbraw/zinc/94/31/55/584943155.db2.gz DYKJPJOBKFWXBU-UHFFFAOYSA-N 1 0 217.256 1.600 10 0 BDAERO c1cn2c([nH+]1)N[C@H](c1ccccn1)CC2 ZINC000232456249 585031024 /nfs/dbraw/zinc/03/10/24/585031024.db2.gz YZEXRBLBFYNHKT-JTQLQIEISA-N 1 0 200.245 1.835 10 0 BDAERO c1cn2c([nH+]1)N[C@H](c1ccncc1)CC2 ZINC000232456306 585031059 /nfs/dbraw/zinc/03/10/59/585031059.db2.gz RHEXLOSXLOCETB-JTQLQIEISA-N 1 0 200.245 1.835 10 0 BDAERO CC1(C)C[NH2+][C@@]2(CCOC2)OC12CCOCC2 ZINC000757141830 586427773 /nfs/dbraw/zinc/42/77/73/586427773.db2.gz JWVDNWBBDHHFAI-ZDUSSCGKSA-N 1 0 241.331 1.298 10 0 BDAERO CC1(C)C[NH2+][C@]2(CCOC2)OC12CCOCC2 ZINC000757141822 586427925 /nfs/dbraw/zinc/42/79/25/586427925.db2.gz JWVDNWBBDHHFAI-CYBMUJFWSA-N 1 0 241.331 1.298 10 0 BDAERO CC[NH+]1CCC2(CC1)[NH2+][C@@H]1CCCC[C@H]1CO2 ZINC000757139724 586427938 /nfs/dbraw/zinc/42/79/38/586427938.db2.gz GYZWVRIUMCNPLV-QWHCGFSZSA-N 1 0 238.375 1.977 10 0 BDAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])C1CCCC1 ZINC000757149506 586428858 /nfs/dbraw/zinc/42/88/58/586428858.db2.gz CYCURZMSFGGZLC-LLVKDONJSA-N 1 0 248.392 1.176 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@]2([NH3+])C[C@@H]2C1 ZINC000757175251 586433023 /nfs/dbraw/zinc/43/30/23/586433023.db2.gz KVKXZCMOLBVQBH-BXKDBHETSA-N 1 0 226.320 1.735 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]CC12CCSCC2 ZINC000757183271 586433497 /nfs/dbraw/zinc/43/34/97/586433497.db2.gz AJMISHILYXGBQU-VIFPVBQESA-N 1 0 229.345 1.282 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]CC12CC(CF)(CF)C2 ZINC000757185298 586434012 /nfs/dbraw/zinc/43/40/12/586434012.db2.gz QVKKDHHBZPDZPB-SECBINFHSA-N 1 0 247.285 1.475 10 0 BDAERO C[C@@H]1CCN[C@@H](c2ccc(C=O)s2)[C@H]1[NH3+] ZINC000757207214 586437226 /nfs/dbraw/zinc/43/72/26/586437226.db2.gz BHDRYEKVERJLIK-GGVZMXCHSA-N 1 0 224.329 1.558 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+][C@@H](c2cccc(C=O)c2)C1 ZINC000757212309 586439204 /nfs/dbraw/zinc/43/92/04/586439204.db2.gz HZWNDWUVEPJJFW-CHWSQXEVSA-N 1 0 247.294 1.713 10 0 BDAERO [NH3+][C@H]1CCCN[C@@H]1c1cccc(C(=O)[O-])c1 ZINC000757215102 586440357 /nfs/dbraw/zinc/44/03/57/586440357.db2.gz MJLHVVUKMNVBAP-WDEREUQCSA-N 1 0 220.272 1.137 10 0 BDAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2cccc(C=O)c2)N1 ZINC000757216804 586441172 /nfs/dbraw/zinc/44/11/72/586441172.db2.gz QCDGGOYPNRXIBO-OASPWFOLSA-N 1 0 218.300 1.639 10 0 BDAERO [NH3+]Cc1ccc([C@H]2CC[NH2+][C@@H](C(=O)[O-])C2)cc1 ZINC000757217211 586441221 /nfs/dbraw/zinc/44/12/21/586441221.db2.gz RNZJSRUNTHKBEQ-NWDGAFQWSA-N 1 0 234.299 1.066 10 0 BDAERO C[C@@H]1CN[C@@H](c2cccc(C=O)c2)[C@@H]([NH3+])C1 ZINC000757217556 586441855 /nfs/dbraw/zinc/44/18/55/586441855.db2.gz SEHYQMFNGRZMKW-XDTLVQLUSA-N 1 0 218.300 1.497 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1C[C@H](C)[C@@H]([NH3+])CN1 ZINC000757228308 586442608 /nfs/dbraw/zinc/44/26/08/586442608.db2.gz CFPSWWQBWURNFQ-XDTLVQLUSA-N 1 0 219.332 1.575 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1CC[C@H]([NH3+])CN1 ZINC000757236245 586443678 /nfs/dbraw/zinc/44/36/78/586443678.db2.gz NSAOPYPCUNZMRL-JQWIXIFHSA-N 1 0 205.305 1.329 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1[NH2+]C[C@H](C)C[C@@H]1N ZINC000757239271 586444403 /nfs/dbraw/zinc/44/44/03/586444403.db2.gz TYJODZGDBZHUEM-JCOFBHIZSA-N 1 0 219.332 1.575 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](c2ccc(C(=O)[O-])cc2)[NH2+]C1 ZINC000757243135 586445267 /nfs/dbraw/zinc/44/52/67/586445267.db2.gz ZKUXTRDLBGNEHV-SKDRFNHKSA-N 1 0 234.299 1.384 10 0 BDAERO C[C@H]([NH3+])CNc1nc2c(cccc2F)o1 ZINC000107207863 588342582 /nfs/dbraw/zinc/34/25/82/588342582.db2.gz QWIKTZAVBIFFEH-LURJTMIESA-N 1 0 209.224 1.726 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(Cc2ccncc2)no1 ZINC000109508970 588564492 /nfs/dbraw/zinc/56/44/92/588564492.db2.gz MEPZIPAFWNYRJM-LLVKDONJSA-N 1 0 246.314 1.581 10 0 BDAERO C[C@H]1C[N@H+](CC[C@@H]2CCOC2=O)CCS1 ZINC000120444603 589414998 /nfs/dbraw/zinc/41/49/98/589414998.db2.gz MAJOKOFCGBGISN-VHSXEESVSA-N 1 0 229.345 1.377 10 0 BDAERO Cn1ccnc1-c1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000122084053 589554141 /nfs/dbraw/zinc/55/41/41/589554141.db2.gz FFGVCXPGQNTWLJ-YUMQZZPRSA-N 1 0 233.275 1.065 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)N1CCCC1 ZINC000122627823 589610709 /nfs/dbraw/zinc/61/07/09/589610709.db2.gz OYOQNOYIUXODOA-LLVKDONJSA-N 1 0 225.336 1.086 10 0 BDAERO C[C@@H]1CN(c2cncc(Cl)n2)[C@@H](C)C[NH2+]1 ZINC000126494726 590320484 /nfs/dbraw/zinc/32/04/84/590320484.db2.gz BTOKQDYDHQVOFM-SFYZADRCSA-N 1 0 226.711 1.317 10 0 BDAERO C/C=C\C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000211146920 591138564 /nfs/dbraw/zinc/13/85/64/591138564.db2.gz PVERZGXCEVNWRJ-NBLPHYOQSA-N 1 0 208.305 1.258 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=S)NC1CC1 ZINC000128939704 591191606 /nfs/dbraw/zinc/19/16/06/591191606.db2.gz CJFXACSHFINSGG-LLVKDONJSA-N 1 0 241.404 1.439 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=S)NC(C)C ZINC000128941834 591192181 /nfs/dbraw/zinc/19/21/81/591192181.db2.gz LAOOEIIHWJAECH-NSHDSACASA-N 1 0 243.420 1.685 10 0 BDAERO CCCNC(=S)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000128941171 591192719 /nfs/dbraw/zinc/19/27/19/591192719.db2.gz LHFLRYUVRBFZLE-NSHDSACASA-N 1 0 243.420 1.687 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1nc2cccc(F)c2o1 ZINC000212548592 591414683 /nfs/dbraw/zinc/41/46/83/591414683.db2.gz UXUZYMMNPHTZRE-SSDOTTSWSA-N 1 0 223.251 1.750 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)n1ccnc1 ZINC000130051844 591433110 /nfs/dbraw/zinc/43/31/10/591433110.db2.gz PMGUQQMDXQZXRI-WDEREUQCSA-N 1 0 234.303 1.020 10 0 BDAERO CCC[C@@H](OC)c1noc([C@@H](C)NC)n1 ZINC000131189526 591566198 /nfs/dbraw/zinc/56/61/98/591566198.db2.gz BTURWLHRGDMKQZ-HTQZYQBOSA-N 1 0 213.281 1.838 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCn2ccccc2=O)C1 ZINC000214480750 591577507 /nfs/dbraw/zinc/57/75/07/591577507.db2.gz FENHNSLTSVVOIM-CYBMUJFWSA-N 1 0 248.326 1.149 10 0 BDAERO CO[C@H](c1noc([C@H]2CC[NH2+]C2)n1)C1CC1 ZINC000131257371 591578689 /nfs/dbraw/zinc/57/86/89/591578689.db2.gz DAABKLNWCCHWDR-IUCAKERBSA-N 1 0 223.276 1.244 10 0 BDAERO CO[C@@H](c1noc(C2(C[NH3+])CC2)n1)C1CC1 ZINC000131254132 591579221 /nfs/dbraw/zinc/57/92/21/591579221.db2.gz MKINBBPASRIPOO-MRVPVSSYSA-N 1 0 223.276 1.157 10 0 BDAERO OCCC1(C[NH2+]CCc2ccccc2)CC1 ZINC000133159198 591771381 /nfs/dbraw/zinc/77/13/81/591771381.db2.gz BBLLWTYWYORWIA-UHFFFAOYSA-N 1 0 219.328 1.981 10 0 BDAERO CC(C)(C)N1C[C@@]2(CCC[NH2+]C2)OC1=O ZINC000218959042 592200691 /nfs/dbraw/zinc/20/06/91/592200691.db2.gz DHASAIQXODYKJF-NSHDSACASA-N 1 0 212.293 1.359 10 0 BDAERO Cn1ccc(CC[NH2+]CCc2ccccc2)n1 ZINC000221274088 592403926 /nfs/dbraw/zinc/40/39/26/592403926.db2.gz HWOVFJPKLHILJC-UHFFFAOYSA-N 1 0 229.327 1.795 10 0 BDAERO CS[C@@H]1CC[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000300391136 592510272 /nfs/dbraw/zinc/51/02/72/592510272.db2.gz SMLZIDRUEGTVFJ-LPEHRKFASA-N 1 0 200.351 1.222 10 0 BDAERO CC[C@@H]1OCC[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000300598490 592515821 /nfs/dbraw/zinc/51/58/21/592515821.db2.gz AUCFLAKAJSVEQQ-AEJSXWLSSA-N 1 0 237.303 1.777 10 0 BDAERO CSC[C@H](C)c1nc([C@@H](C)C[NH3+])no1 ZINC000300775980 592520038 /nfs/dbraw/zinc/52/00/38/592520038.db2.gz MGCUQJUDABKFFT-BQBZGAKWSA-N 1 0 215.322 1.598 10 0 BDAERO C[C@@H]([NH3+])Cc1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000300949857 592526264 /nfs/dbraw/zinc/52/62/64/592526264.db2.gz UBVHJQPQEZGJJY-RNFRBKRXSA-N 1 0 231.246 1.862 10 0 BDAERO O=C(CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)N1CCCC1 ZINC000302648268 592551515 /nfs/dbraw/zinc/55/15/15/592551515.db2.gz HAEIMEFRVFQXHF-YNEHKIRRSA-N 1 0 236.359 1.777 10 0 BDAERO [NH3+]CC[C@@H]1CCN(c2ncnc3sccc32)C1 ZINC000125461772 634505592 /nfs/dbraw/zinc/50/55/92/634505592.db2.gz SOHLMDGSEGOCHB-SECBINFHSA-N 1 0 248.355 1.866 10 0 BDAERO CCc1cc(N2CC[C@H](CC[NH3+])C2)nc(C)n1 ZINC000125506825 634524180 /nfs/dbraw/zinc/52/41/80/634524180.db2.gz VVFIEFWBFHFZBP-NSHDSACASA-N 1 0 234.347 1.523 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)[C@H](C)O ZINC000336658395 635199907 /nfs/dbraw/zinc/19/99/07/635199907.db2.gz QIAGDQSZXAHPRB-UTLUCORTSA-N 1 0 217.378 1.877 10 0 BDAERO COC(=O)[C@H]1C[N@@H+](C2CCCC2)C[C@H]1C ZINC000095019674 635406347 /nfs/dbraw/zinc/40/63/47/635406347.db2.gz OPXOUMVTIWOKRP-KOLCDFICSA-N 1 0 211.305 1.670 10 0 BDAERO CC1(C)C[C@@H]1c1noc([C@]2(C)CC[NH2+]C2)n1 ZINC000225476563 635410075 /nfs/dbraw/zinc/41/00/75/635410075.db2.gz LTZMBECFQZYNIJ-PRHODGIISA-N 1 0 221.304 1.834 10 0 BDAERO COCCCc1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000095037922 635411492 /nfs/dbraw/zinc/41/14/92/635411492.db2.gz COXBBAJDRFPEHZ-SNVBAGLBSA-N 1 0 239.319 1.191 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000062103730 635459786 /nfs/dbraw/zinc/45/97/86/635459786.db2.gz BSOFTPXBMMCEAP-LBPRGKRZSA-N 1 0 208.305 1.854 10 0 BDAERO COC1CC([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000230690546 635492892 /nfs/dbraw/zinc/49/28/92/635492892.db2.gz JTGNHFAPUHMNGS-UHFFFAOYSA-N 1 0 237.347 1.905 10 0 BDAERO COC(=O)c1occc1C[NH2+]C1CC(OC)C1 ZINC000230690801 635493061 /nfs/dbraw/zinc/49/30/61/635493061.db2.gz VHEUMUAPNRFNEK-UHFFFAOYSA-N 1 0 239.271 1.333 10 0 BDAERO C[NH+](C)C[C@@H]1CN(C/C=C\Cl)CCO1 ZINC000255387515 631441927 /nfs/dbraw/zinc/44/19/27/631441927.db2.gz OKDQNGHQRGYQHM-UMBAGQNISA-N 1 0 218.728 1.001 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3cncs3)no2)C1 ZINC000087572027 631480179 /nfs/dbraw/zinc/48/01/79/631480179.db2.gz GATCEKNRRVLRPZ-RNFRBKRXSA-N 1 0 236.300 1.788 10 0 BDAERO Cc1cccc(CC(=O)NCC2CC([NH3+])C2)c1 ZINC000091538513 631541522 /nfs/dbraw/zinc/54/15/22/631541522.db2.gz ULONSVZUUOKIDZ-UHFFFAOYSA-N 1 0 232.327 1.391 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)ccc1F ZINC000234552324 631583231 /nfs/dbraw/zinc/58/32/31/631583231.db2.gz DEMVDJDTLLAFPZ-MNOVXSKESA-N 1 0 237.274 1.610 10 0 BDAERO C[C@@H](C[NH2+][C@H]1CC[C@H]1C)N1CCOCC1 ZINC000308845190 631690373 /nfs/dbraw/zinc/69/03/73/631690373.db2.gz LZNYAUSSXTXYDV-WOPDTQHZSA-N 1 0 212.337 1.095 10 0 BDAERO C[C@H](C[NH2+][C@@H]1CC[C@H]1C)N1CCOCC1 ZINC000308845188 631691236 /nfs/dbraw/zinc/69/12/36/631691236.db2.gz LZNYAUSSXTXYDV-IJLUTSLNSA-N 1 0 212.337 1.095 10 0 BDAERO COC1(C[C@H](C)[NH2+][C@@H](C)[C@@H](C)O)CCC1 ZINC000308949625 631754723 /nfs/dbraw/zinc/75/47/23/631754723.db2.gz ORTJSMCRPYZSSH-GARJFASQSA-N 1 0 215.337 1.693 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000308973078 631769656 /nfs/dbraw/zinc/76/96/56/631769656.db2.gz BAHXBWZOTVXYCN-MXWKQRLJSA-N 1 0 212.337 1.678 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000309062893 631831308 /nfs/dbraw/zinc/83/13/08/631831308.db2.gz XSHKTSJSVNBGIP-OUAUKWLOSA-N 1 0 211.309 1.021 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178587101 631885775 /nfs/dbraw/zinc/88/57/75/631885775.db2.gz PZNQRDVMCRFJHU-OCCSQVGLSA-N 1 0 246.354 1.672 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2cccs2)C[C@@H]1[NH3+] ZINC000309116286 631887361 /nfs/dbraw/zinc/88/73/61/631887361.db2.gz YCSZWYNRSXPYSG-KGASVMDVSA-N 1 0 236.340 1.567 10 0 BDAERO CS[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000235095631 631943971 /nfs/dbraw/zinc/94/39/71/631943971.db2.gz ZPTILWIHOPBVQA-VPOLOUISSA-N 1 0 242.388 1.242 10 0 BDAERO C[NH2+]CCc1noc(CCc2ccccc2)n1 ZINC000051850829 631964765 /nfs/dbraw/zinc/96/47/65/631964765.db2.gz KECRZCCATHXOJS-UHFFFAOYSA-N 1 0 231.299 1.617 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCC1OCCCO1 ZINC000091465867 632019493 /nfs/dbraw/zinc/01/94/93/632019493.db2.gz SDRDBQBXGYFQBJ-GFCCVEGCSA-N 1 0 243.347 1.376 10 0 BDAERO Cc1ccc(C(=O)NCC2CC([NH3+])C2)cc1O ZINC000091525382 632054711 /nfs/dbraw/zinc/05/47/11/632054711.db2.gz NHMYZVVPFSGVLQ-UHFFFAOYSA-N 1 0 234.299 1.168 10 0 BDAERO CCCn1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cn1 ZINC000237040963 635719502 /nfs/dbraw/zinc/71/95/02/635719502.db2.gz RIEWGBZDVNBIQV-UWVGGRQHSA-N 1 0 236.319 1.359 10 0 BDAERO CN(C)c1noc([C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000161910707 632451753 /nfs/dbraw/zinc/45/17/53/632451753.db2.gz PUGIZISMTCMEKO-DTWKUNHWSA-N 1 0 224.308 1.368 10 0 BDAERO CCC1CCC(NC(=O)[C@H]([NH3+])CCOC)CC1 ZINC000052810094 632498312 /nfs/dbraw/zinc/49/83/12/632498312.db2.gz YRFUBXCRXPHQAH-HTAVTVPLSA-N 1 0 242.363 1.435 10 0 BDAERO CNC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)C(C)C ZINC000309588440 632550766 /nfs/dbraw/zinc/55/07/66/632550766.db2.gz SZNVZHLRAVIBHK-IJLUTSLNSA-N 1 0 226.364 1.781 10 0 BDAERO Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@@H](C)O ZINC000309038947 632622006 /nfs/dbraw/zinc/62/20/06/632622006.db2.gz JYVLORQQLGTHEM-VHSXEESVSA-N 1 0 211.280 1.993 10 0 BDAERO Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)c(C)n1 ZINC000309975820 632688724 /nfs/dbraw/zinc/68/87/24/632688724.db2.gz SPPGWOBWEJCLIJ-OYNCUSHFSA-N 1 0 223.320 1.513 10 0 BDAERO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000310568079 632760494 /nfs/dbraw/zinc/76/04/94/632760494.db2.gz MXKUSYWLZYXOJX-YIYPIFLZSA-N 1 0 240.391 1.562 10 0 BDAERO COc1ccc(OC)c2c1NC(=O)C[C@@H]2C[NH3+] ZINC000057954685 632775815 /nfs/dbraw/zinc/77/58/15/632775815.db2.gz GEGPKAGSRLJDQT-SSDOTTSWSA-N 1 0 236.271 1.088 10 0 BDAERO CCONC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177309775 632804748 /nfs/dbraw/zinc/80/47/48/632804748.db2.gz QQQYXXRMPSSPKD-SNVBAGLBSA-N 1 0 229.324 1.064 10 0 BDAERO CC[C@H]([NH2+]CCc1nnnn1C)C(C)(C)C ZINC000393779594 632997669 /nfs/dbraw/zinc/99/76/69/632997669.db2.gz QDYXCDBUAITVKM-VIFPVBQESA-N 1 0 225.340 1.167 10 0 BDAERO CN(C)c1noc([C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000161910446 633014062 /nfs/dbraw/zinc/01/40/62/633014062.db2.gz PUGIZISMTCMEKO-RKDXNWHRSA-N 1 0 224.308 1.368 10 0 BDAERO CCc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@H](C)O ZINC000309412520 633033456 /nfs/dbraw/zinc/03/34/56/633033456.db2.gz BZNPXDDPWDVGNQ-SFYZADRCSA-N 1 0 245.754 1.495 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C)c(F)c1 ZINC000166514002 633115238 /nfs/dbraw/zinc/11/52/38/633115238.db2.gz QNGUVFGFBGGTJN-QWRGUYRKSA-N 1 0 237.274 1.610 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000166564680 633118176 /nfs/dbraw/zinc/11/81/76/633118176.db2.gz DLBUWPDUZNKAIB-CHWSQXEVSA-N 1 0 249.310 1.561 10 0 BDAERO CS[C@@H](C)CCc1nc([C@@H](C)C[NH3+])no1 ZINC000309472329 633129983 /nfs/dbraw/zinc/12/99/83/633129983.db2.gz RFRUUXOOKMFNNQ-YUMQZZPRSA-N 1 0 229.349 1.816 10 0 BDAERO OC[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000309479952 633147274 /nfs/dbraw/zinc/14/72/74/633147274.db2.gz DFNGSAQHCFSAEL-MCIONIFRSA-N 1 0 217.312 1.903 10 0 BDAERO CCCc1noc([C@@H]2CC[NH2+][C@H]2CC)n1 ZINC000309644322 633217541 /nfs/dbraw/zinc/21/75/41/633217541.db2.gz PPSHSQKFHVUSJZ-BDAKNGLRSA-N 1 0 209.293 1.878 10 0 BDAERO Clc1cccc(NC[C@H]2CC[NH2+]C2)n1 ZINC000307291702 635985558 /nfs/dbraw/zinc/98/55/58/635985558.db2.gz KFAWRCREZHWBLI-QMMMGPOBSA-N 1 0 211.696 1.756 10 0 BDAERO CCCOc1ccnc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000164798164 636002802 /nfs/dbraw/zinc/00/28/02/636002802.db2.gz XWQJHMICLMALPL-SNVBAGLBSA-N 1 0 236.319 1.429 10 0 BDAERO CCN(CCC[NH+](C)C)C(=O)N1CCCCC1 ZINC000230405968 636047539 /nfs/dbraw/zinc/04/75/39/636047539.db2.gz SAVQTFOWPFZXAZ-UHFFFAOYSA-N 1 0 241.379 1.866 10 0 BDAERO Cc1ccncc1-c1cnn(CC[NH3+])c1 ZINC000309033821 633844240 /nfs/dbraw/zinc/84/42/40/633844240.db2.gz DNYFFKMUPUMGMZ-UHFFFAOYSA-N 1 0 202.261 1.212 10 0 BDAERO N[C@@H]1C[NH2+]C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000396831673 634096760 /nfs/dbraw/zinc/09/67/60/634096760.db2.gz UKXSRKLWZMOXFU-VHSXEESVSA-N 1 0 230.233 1.720 10 0 BDAERO COC1CC([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000310321327 634117999 /nfs/dbraw/zinc/11/79/99/634117999.db2.gz WZKYIZCJLAFZAN-UHFFFAOYSA-N 1 0 245.273 1.415 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1Nc1cccc(F)n1 ZINC000162453518 634161490 /nfs/dbraw/zinc/16/14/90/634161490.db2.gz MTWJNLDYVMAAGM-BDAKNGLRSA-N 1 0 209.268 1.760 10 0 BDAERO [NH3+]C1CCC(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000311187413 634231425 /nfs/dbraw/zinc/23/14/25/634231425.db2.gz BIWPIXGQSUXOTH-AKJUYKBHSA-N 1 0 248.370 1.929 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCCO1 ZINC000055087272 635149327 /nfs/dbraw/zinc/14/93/27/635149327.db2.gz MKLYKKNHLNMHQO-WYUUTHIRSA-N 1 0 240.347 1.188 10 0 BDAERO Fc1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)nc1 ZINC000094044346 635171322 /nfs/dbraw/zinc/17/13/22/635171322.db2.gz NWJFLSNUIKOMQW-SSDOTTSWSA-N 1 0 234.234 1.348 10 0 BDAERO COc1ccccc1NC(=O)C1CC([NH3+])C1 ZINC000258605525 635171948 /nfs/dbraw/zinc/17/19/48/635171948.db2.gz ANYUKJWOUPEFIU-UHFFFAOYSA-N 1 0 220.272 1.371 10 0 BDAERO CC1(C)CC[NH2+]CC[N@@H+]1C[C@H]1CCCO1 ZINC000220681447 635186570 /nfs/dbraw/zinc/18/65/70/635186570.db2.gz LJCYVXIDYMXLMZ-LLVKDONJSA-N 1 0 212.337 1.239 10 0 BDAERO COc1ccc(C)cc1NC(=O)C1CC([NH3+])C1 ZINC000258796201 635201446 /nfs/dbraw/zinc/20/14/46/635201446.db2.gz SAFNLFWTJZORTM-UHFFFAOYSA-N 1 0 234.299 1.679 10 0 BDAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](C)O)CS1 ZINC000336691174 635220071 /nfs/dbraw/zinc/22/00/71/635220071.db2.gz PIQIUZFCDPSIDP-NAKRPEOUSA-N 1 0 217.378 1.875 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336754536 635281972 /nfs/dbraw/zinc/28/19/72/635281972.db2.gz IGYJSOYKKWGTKC-YUMQZZPRSA-N 1 0 226.345 1.879 10 0 BDAERO C[C@@H](O)[C@@H](C)Nc1cc[nH+]c2ccccc12 ZINC000336776336 635288547 /nfs/dbraw/zinc/28/85/47/635288547.db2.gz FOSDVKKZAUIEPE-NXEZZACHSA-N 1 0 216.284 1.838 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000342187396 636327845 /nfs/dbraw/zinc/32/78/45/636327845.db2.gz FWEXSLHMNNEIIR-UWVGGRQHSA-N 1 0 246.310 1.799 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1c(OC)cccc1OC ZINC000095638328 636883085 /nfs/dbraw/zinc/88/30/85/636883085.db2.gz KJIGJPOLUSRGRS-QMMMGPOBSA-N 1 0 239.271 1.267 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(C)c([N+](=O)[O-])c1 ZINC000095638348 636883274 /nfs/dbraw/zinc/88/32/74/636883274.db2.gz IIVNAWQNFWFPJG-VIFPVBQESA-N 1 0 238.243 1.466 10 0 BDAERO CCON1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000323128633 636900794 /nfs/dbraw/zinc/90/07/94/636900794.db2.gz PODDPTBZKLWZIV-QWHCGFSZSA-N 1 0 242.363 1.295 10 0 BDAERO CCON1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000323128632 636901304 /nfs/dbraw/zinc/90/13/04/636901304.db2.gz PODDPTBZKLWZIV-OLZOCXBDSA-N 1 0 242.363 1.295 10 0 BDAERO c1cn(CC[NH2+]CCc2ccccc2)cn1 ZINC000041041854 636956521 /nfs/dbraw/zinc/95/65/21/636956521.db2.gz JBNLTTOMXLODNB-UHFFFAOYSA-N 1 0 215.300 1.715 10 0 BDAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H](C)O)cc1 ZINC000348322391 639043766 /nfs/dbraw/zinc/04/37/66/639043766.db2.gz IXIJKHPEGVTBRG-TUAOUCFPSA-N 1 0 237.343 1.985 10 0 BDAERO CCOc1ccc([C@H]2CC[NH+]=C(N)N2)cc1 ZINC000163577474 639082006 /nfs/dbraw/zinc/08/20/06/639082006.db2.gz MHMYINJXCPCQAB-LLVKDONJSA-N 1 0 219.288 1.434 10 0 BDAERO CC(C)c1nc(C[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000054697885 640305690 /nfs/dbraw/zinc/30/56/90/640305690.db2.gz NOSDTZUKQMKOTE-SNVBAGLBSA-N 1 0 222.336 1.481 10 0 BDAERO C[C@@H](C[NH3+])c1nc(C2CCCCC2)nn1C ZINC000054699329 640320632 /nfs/dbraw/zinc/32/06/32/640320632.db2.gz WFPCKBJGMHUTHG-VIFPVBQESA-N 1 0 222.336 1.925 10 0 BDAERO c1cnc(C[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000054766587 640408620 /nfs/dbraw/zinc/40/86/20/640408620.db2.gz BLLJQRWUOJMBIT-NSHDSACASA-N 1 0 207.277 1.135 10 0 BDAERO c1ncc(C[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000054768042 640410062 /nfs/dbraw/zinc/41/00/62/640410062.db2.gz AFYGHNPHVXMQMR-NSHDSACASA-N 1 0 207.277 1.135 10 0 BDAERO CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055090011 640430681 /nfs/dbraw/zinc/43/06/81/640430681.db2.gz MWCGDLODVCTJDS-GRYCIOLGSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)[C@@H](C)O)o1 ZINC000349328800 640512203 /nfs/dbraw/zinc/51/22/03/640512203.db2.gz HMCKAMRYRWCNBQ-VHSXEESVSA-N 1 0 249.314 1.837 10 0 BDAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc[nH]1 ZINC000165413369 640574245 /nfs/dbraw/zinc/57/42/45/640574245.db2.gz FGTPZDNIQCSNEM-JQWIXIFHSA-N 1 0 223.320 1.560 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000223933451 640592522 /nfs/dbraw/zinc/59/25/22/640592522.db2.gz JYPTUFOBVKVQHA-ZOBORPQBSA-N 1 0 238.375 1.485 10 0 BDAERO CCCOCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000225429806 640692984 /nfs/dbraw/zinc/69/29/84/640692984.db2.gz RGYHJJGLFSOMAV-JTQLQIEISA-N 1 0 239.319 1.538 10 0 BDAERO CN(C/C=C/Cl)[C@H]1CCC[NH2+]CC1 ZINC000226467790 640767524 /nfs/dbraw/zinc/76/75/24/640767524.db2.gz BMVWICPTLJBTKP-YVGDHZEHSA-N 1 0 202.729 1.813 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)C(F)(F)C(F)F)C1 ZINC000226640069 640783395 /nfs/dbraw/zinc/78/33/95/640783395.db2.gz JOGHSAMMXZDKGK-LURJTMIESA-N 1 0 242.216 1.049 10 0 BDAERO CO[C@@H](C[NH3+])c1nc(CC(C)(C)C)no1 ZINC000227298803 640823878 /nfs/dbraw/zinc/82/38/78/640823878.db2.gz RMJPDEJKCLLPLV-ZETCQYMHSA-N 1 0 213.281 1.304 10 0 BDAERO CO[C@@H](c1noc(C[C@H]([NH3+])C2CC2)n1)C1CC1 ZINC000227332458 640827111 /nfs/dbraw/zinc/82/71/11/640827111.db2.gz JZQNPNFMPADULC-GXSJLCMTSA-N 1 0 237.303 1.447 10 0 BDAERO CO[C@@H](c1noc(-c2ccc(C[NH3+])o2)n1)C1CC1 ZINC000227334235 640827803 /nfs/dbraw/zinc/82/78/03/640827803.db2.gz RSYLQPWXSKEKCZ-SNVBAGLBSA-N 1 0 249.270 1.886 10 0 BDAERO CNC(=S)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000227352996 640828546 /nfs/dbraw/zinc/82/85/46/640828546.db2.gz YZUYSBPOIWLNTC-UWVGGRQHSA-N 1 0 227.377 1.049 10 0 BDAERO Cc1cc2c(NC[C@@H]3CC[C@H]([NH3+])C3)nccn2n1 ZINC000227645696 640843421 /nfs/dbraw/zinc/84/34/21/640843421.db2.gz YOXTWYFXJAVUAX-MNOVXSKESA-N 1 0 245.330 1.577 10 0 BDAERO Cc1cc(C)nc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000227652525 640844116 /nfs/dbraw/zinc/84/41/16/640844116.db2.gz SRLMFWRYWWXQCT-MNOVXSKESA-N 1 0 220.320 1.633 10 0 BDAERO FC(F)C(F)(F)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227767815 640848280 /nfs/dbraw/zinc/84/82/80/640848280.db2.gz BOFNKEMONLDNTL-MRVPVSSYSA-N 1 0 240.244 1.667 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2nc([C@@H]3CCCOC3)no2)C1 ZINC000227867653 640852437 /nfs/dbraw/zinc/85/24/37/640852437.db2.gz XGHUDMZWRBJAKT-OPRDCNLKSA-N 1 0 237.303 1.558 10 0 BDAERO CSCC[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000228943846 640905893 /nfs/dbraw/zinc/90/58/93/640905893.db2.gz YRVVBCMJSSLIDI-MNOVXSKESA-N 1 0 244.404 1.634 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1C1CCCC1 ZINC000229219139 640934628 /nfs/dbraw/zinc/93/46/28/640934628.db2.gz XCOKLWKIJLJSTH-MNOVXSKESA-N 1 0 211.305 1.575 10 0 BDAERO C1CS[C@H](c2noc([C@@H]3CC[NH2+]C3)n2)C1 ZINC000087700182 640979308 /nfs/dbraw/zinc/97/93/08/640979308.db2.gz SJCMLPFWRGUXMS-SFYZADRCSA-N 1 0 225.317 1.715 10 0 BDAERO Oc1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000062119565 641022936 /nfs/dbraw/zinc/02/29/36/641022936.db2.gz OYKMTUOHCLVBNG-VIFPVBQESA-N 1 0 231.255 1.519 10 0 BDAERO CCCC[N@H+](C)C[C@@H](O)c1cccnc1 ZINC000062355498 641041850 /nfs/dbraw/zinc/04/18/50/641041850.db2.gz YOQQDATUPXVHLM-GFCCVEGCSA-N 1 0 208.305 1.847 10 0 BDAERO CC(=O)[C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000230761819 641097776 /nfs/dbraw/zinc/09/77/76/641097776.db2.gz WGNMAJLLWFIVON-LBPRGKRZSA-N 1 0 235.331 1.264 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C[C@H](O)c2ccccc2)C1 ZINC000062967312 641111773 /nfs/dbraw/zinc/11/17/73/641111773.db2.gz QALCUWLKYRHCII-KGLIPLIRSA-N 1 0 234.343 1.356 10 0 BDAERO C(c1noc([C@H]2CCCO2)n1)[C@H]1CCC[NH2+]C1 ZINC000063084722 641126864 /nfs/dbraw/zinc/12/68/64/641126864.db2.gz SIFZNKWROLOLQB-NXEZZACHSA-N 1 0 237.303 1.463 10 0 BDAERO c1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)n[nH]1 ZINC000063084779 641127124 /nfs/dbraw/zinc/12/71/24/641127124.db2.gz NOVSXZCOBVXFFO-MRVPVSSYSA-N 1 0 233.275 1.002 10 0 BDAERO C(c1noc([C@@H]2CCOC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000063084705 641127840 /nfs/dbraw/zinc/12/78/40/641127840.db2.gz XNFWKQPPBYNONC-VHSXEESVSA-N 1 0 237.303 1.116 10 0 BDAERO Cn1nccc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084457 641127950 /nfs/dbraw/zinc/12/79/50/641127950.db2.gz IKSISRMUSYKRJE-SECBINFHSA-N 1 0 247.302 1.012 10 0 BDAERO CCOC(C[NH2+][C@@H](C)[C@H]1CCCO1)OCC ZINC000088008324 641231427 /nfs/dbraw/zinc/23/14/27/641231427.db2.gz JRUUDEURPSNERL-WDEREUQCSA-N 1 0 231.336 1.543 10 0 BDAERO CC[C@H](C)c1noc(C[C@@H](C[NH3+])OC)n1 ZINC000232131224 641243965 /nfs/dbraw/zinc/24/39/65/641243965.db2.gz LGUFJEXWELTGDU-YUMQZZPRSA-N 1 0 213.281 1.099 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ncnc2c1CCC2 ZINC000089092204 641427077 /nfs/dbraw/zinc/42/70/77/641427077.db2.gz XLPNPFTYJYIGPM-GXSJLCMTSA-N 1 0 232.331 1.505 10 0 BDAERO O=C1c2ccoc2CC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000159165088 641670716 /nfs/dbraw/zinc/67/07/16/641670716.db2.gz VYKMUFYOWPDYET-SCZZXKLOSA-N 1 0 205.257 1.777 10 0 BDAERO CCOCCCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089386754 641675721 /nfs/dbraw/zinc/67/57/21/641675721.db2.gz HGVWOJYHOZXXOK-RYUDHWBXSA-N 1 0 242.363 1.294 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCc1cccnc1 ZINC000089454426 641764649 /nfs/dbraw/zinc/76/46/49/641764649.db2.gz IDPBNZNTHSRKGQ-STQMWFEESA-N 1 0 247.342 1.115 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCn2ccnc21 ZINC000324632822 641883183 /nfs/dbraw/zinc/88/31/83/641883183.db2.gz ULJVPJVLVHHAES-ZJUUUORDSA-N 1 0 223.320 1.325 10 0 BDAERO CC1(C)C[C@H]1c1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000232861239 641884348 /nfs/dbraw/zinc/88/43/48/641884348.db2.gz SUNDOXNMZZCOPS-BDAKNGLRSA-N 1 0 221.304 1.735 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)CO)c1cccc(Cl)c1 ZINC000078430007 641921335 /nfs/dbraw/zinc/92/13/35/641921335.db2.gz OXIGLTROGZSMOD-GZMMTYOYSA-N 1 0 229.707 1.344 10 0 BDAERO CC1(C)C[C@@H]1c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000232883343 642075265 /nfs/dbraw/zinc/07/52/65/642075265.db2.gz YRTACULMTFCQPQ-RKDXNWHRSA-N 1 0 237.303 1.114 10 0 BDAERO CCCCCCC(=O)NC[C@@H](C)[NH2+]C ZINC000232906733 642286329 /nfs/dbraw/zinc/28/63/29/642286329.db2.gz VGNRBOKGENINNB-SNVBAGLBSA-N 1 0 200.326 1.681 10 0 BDAERO c1cn2c(n1)CC[C@@H]([NH2+]Cc1cscn1)C2 ZINC000309613563 642394100 /nfs/dbraw/zinc/39/41/00/642394100.db2.gz NFJFKRQXAJDZLV-SECBINFHSA-N 1 0 234.328 1.444 10 0 BDAERO C[C@H]1CN(c2cccc(Cl)n2)[C@@H](C)C[NH2+]1 ZINC000033906543 642441888 /nfs/dbraw/zinc/44/18/88/642441888.db2.gz IAEOFGLMAWBYPN-IUCAKERBSA-N 1 0 225.723 1.922 10 0 BDAERO C[NH+](C)[C@H]1CCN(Cn2cccnc2=S)C1 ZINC000170842826 642697310 /nfs/dbraw/zinc/69/73/10/642697310.db2.gz LNWFYVIJWNOBSD-JTQLQIEISA-N 1 0 238.360 1.206 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1CCCO1 ZINC000251645798 642882860 /nfs/dbraw/zinc/88/28/60/642882860.db2.gz SKQHSJQDLMYKCU-TUAOUCFPSA-N 1 0 212.337 1.367 10 0 BDAERO c1cc(-c2noc([C@H]3CCC[NH2+]3)n2)co1 ZINC000069946072 642941897 /nfs/dbraw/zinc/94/18/97/642941897.db2.gz KCKXJROUQWYCEP-MRVPVSSYSA-N 1 0 205.217 1.754 10 0 BDAERO [NH3+][C@@H]1Cc2ccccc2N(C[C@@H]2CCCO2)C1 ZINC000070196298 642989816 /nfs/dbraw/zinc/98/98/16/642989816.db2.gz AFBBGSMRAKXTFP-OLZOCXBDSA-N 1 0 232.327 1.555 10 0 BDAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCF ZINC000163182009 643112572 /nfs/dbraw/zinc/11/25/72/643112572.db2.gz GNMATRVLCNJXGS-SDDRHHMPSA-N 1 0 215.312 1.971 10 0 BDAERO CCN(c1ncnc2onc(C)c21)[C@@H]1CC[NH2+]C1 ZINC000071314122 643124719 /nfs/dbraw/zinc/12/47/19/643124719.db2.gz WDINRCTXMLXZQQ-SECBINFHSA-N 1 0 247.302 1.114 10 0 BDAERO CCN(c1ncnc2ccsc21)[C@@H]1CC[NH2+]C1 ZINC000071314436 643125829 /nfs/dbraw/zinc/12/58/29/643125829.db2.gz KUFSCBMQTKLWPO-SECBINFHSA-N 1 0 248.355 1.880 10 0 BDAERO CC[C@@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000049645498 643156222 /nfs/dbraw/zinc/15/62/22/643156222.db2.gz RHEDOTZMJOATRZ-WDEREUQCSA-N 1 0 248.392 1.092 10 0 BDAERO CCC(=CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)CC ZINC000185043076 643259191 /nfs/dbraw/zinc/25/91/91/643259191.db2.gz KAYJTZWAHYOSFK-YNEHKIRRSA-N 1 0 236.359 1.929 10 0 BDAERO Cc1cc(N[C@H]2CCCC[C@H]2O)nc(N)[nH+]1 ZINC000082322683 643299881 /nfs/dbraw/zinc/29/98/81/643299881.db2.gz AXJVENCQZIPWCJ-DTWKUNHWSA-N 1 0 222.292 1.083 10 0 BDAERO C[C@H]1C[N@H+](C[C@H](O)C(C)(C)C)CCN1C ZINC000082484431 643321400 /nfs/dbraw/zinc/32/14/00/643321400.db2.gz HBCNYUWVTYKZDQ-QWRGUYRKSA-N 1 0 214.353 1.029 10 0 BDAERO CCOC(CN1CC[C@H]([NH+](C)C)C1)OCC ZINC000082486277 643324072 /nfs/dbraw/zinc/32/40/72/643324072.db2.gz TXHSPBWOZNGLPH-NSHDSACASA-N 1 0 230.352 1.021 10 0 BDAERO CCCCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232974966 643345613 /nfs/dbraw/zinc/34/56/13/643345613.db2.gz ICRQISYPZPHJTA-GRYCIOLGSA-N 1 0 226.364 1.927 10 0 BDAERO CC[C@]1([NH2+]C[C@H](O)COC(C)(C)C)CCOC1 ZINC000393418152 643356258 /nfs/dbraw/zinc/35/62/58/643356258.db2.gz BSGLYKFOOZLDJS-AAEUAGOBSA-N 1 0 245.363 1.321 10 0 BDAERO CC1(C)CC2(C[NH2+]C[C@@H]2C(=O)[O-])CC(C)(C)[NH2+]1 ZINC000757183648 643359928 /nfs/dbraw/zinc/35/99/28/643359928.db2.gz DSVKKTCGWASQGV-SECBINFHSA-N 1 0 240.347 1.217 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN[C@H]1c1cccc(C=O)c1 ZINC000757211083 643371682 /nfs/dbraw/zinc/37/16/82/643371682.db2.gz FYCKVCJQZMIGGO-JIMOISOXSA-N 1 0 218.300 1.497 10 0 BDAERO CC[N@@H+]1CC[C@H](Nc2cncc(Cl)n2)C1 ZINC000307143634 643413283 /nfs/dbraw/zinc/41/32/83/643413283.db2.gz GZVVLQIMZWHUKU-QMMMGPOBSA-N 1 0 226.711 1.636 10 0 BDAERO C[C@@H]([NH3+])C[C@H](C)Nc1cncc(Cl)n1 ZINC000307269080 643425378 /nfs/dbraw/zinc/42/53/78/643425378.db2.gz MEABRYBHLDMKJY-RQJHMYQMSA-N 1 0 214.700 1.668 10 0 BDAERO Cn1nccc1[C@H]1CCn2cc[nH+]c2N1 ZINC000236090993 643588335 /nfs/dbraw/zinc/58/83/35/643588335.db2.gz WSVKIXCUDHBUJK-MRVPVSSYSA-N 1 0 203.249 1.174 10 0 BDAERO Cc1nsc(N2CCC(C[NH3+])CC2)n1 ZINC000083647675 643603648 /nfs/dbraw/zinc/60/36/48/643603648.db2.gz GBVRLMAQILCJLK-UHFFFAOYSA-N 1 0 212.322 1.022 10 0 BDAERO C1C[C@@H](c2nc([C@H]3CCCOC3)no2)C[NH2+]1 ZINC000083720304 643620873 /nfs/dbraw/zinc/62/08/73/643620873.db2.gz SZIZKPAQCUSMPP-BDAKNGLRSA-N 1 0 223.276 1.041 10 0 BDAERO CSCCCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084302464 643655910 /nfs/dbraw/zinc/65/59/10/643655910.db2.gz XWOZYXMBLDFCMI-GHMZBOCLSA-N 1 0 244.404 1.621 10 0 BDAERO OCCCCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000236498674 643682549 /nfs/dbraw/zinc/68/25/49/643682549.db2.gz NFXBSBAVWLCAQY-VXGBXAGGSA-N 1 0 215.337 1.432 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000050394016 643694780 /nfs/dbraw/zinc/69/47/80/643694780.db2.gz PSZFKPUOENRAST-GFCCVEGCSA-N 1 0 218.300 1.097 10 0 BDAERO CC(C)OCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193534846 644251179 /nfs/dbraw/zinc/25/11/79/644251179.db2.gz FSASNXVCBAWDKL-WDEREUQCSA-N 1 0 228.336 1.058 10 0 BDAERO CC[C@H](C)c1noc(C[C@@H]2CC[NH2+]C2)n1 ZINC000084380319 644423348 /nfs/dbraw/zinc/42/33/48/644423348.db2.gz BLYHEYXJWWAXNO-IUCAKERBSA-N 1 0 209.293 1.735 10 0 BDAERO 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CC(C)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000249074623 644711049 /nfs/dbraw/zinc/71/10/49/644711049.db2.gz ARNSEEIUQXMHOI-HZSPNIEDSA-N 1 0 238.375 1.997 10 0 BDAERO [NH3+][C@@H](CCO)c1cccnc1Br ZINC000095638751 644760985 /nfs/dbraw/zinc/76/09/85/644760985.db2.gz XZAVSYDYALVBPG-ZETCQYMHSA-N 1 0 231.093 1.226 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1sccc1Cl ZINC000095638112 644761042 /nfs/dbraw/zinc/76/10/42/644761042.db2.gz KYJCWVQSJOXXOR-ZCFIWIBFSA-N 1 0 219.693 1.964 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000250649637 644773336 /nfs/dbraw/zinc/77/33/36/644773336.db2.gz LOFHUKIKEBSESA-IJLUTSLNSA-N 1 0 211.305 1.430 10 0 BDAERO C[C@H]1CN(c2ccc(Cl)nn2)C[C@H]1[NH+](C)C ZINC000251796917 644823215 /nfs/dbraw/zinc/82/32/15/644823215.db2.gz NSSKGUOBIVFKAR-DTWKUNHWSA-N 1 0 240.738 1.516 10 0 BDAERO CSCC[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000252687182 644879954 /nfs/dbraw/zinc/87/99/54/644879954.db2.gz KVGYLBKKZYSFQI-DCAQKATOSA-N 1 0 244.404 1.619 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(C)C)[C@H]1OC ZINC000252793316 644907185 /nfs/dbraw/zinc/90/71/85/644907185.db2.gz WYRHFLUIHNIFLC-NNYUYHANSA-N 1 0 215.337 1.813 10 0 BDAERO C[C@H]1[NH2+]CC[C@H]1c1nc(CC2CCC2)no1 ZINC000304593218 644919544 /nfs/dbraw/zinc/91/95/44/644919544.db2.gz LIJGWPOPXDIGAA-PSASIEDQSA-N 1 0 221.304 1.878 10 0 BDAERO CC(C)(CO)[NH2+]C[C@H](O)c1ccccc1F ZINC000034873481 645723230 /nfs/dbraw/zinc/72/32/30/645723230.db2.gz SBAQEQNPNXMNGV-NSHDSACASA-N 1 0 227.279 1.220 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000724194079 711568078 /nfs/dbraw/zinc/56/80/78/711568078.db2.gz PSXJRTYWGLUQLI-AXFHLTTASA-N 1 0 201.310 1.257 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724194082 711568153 /nfs/dbraw/zinc/56/81/53/711568153.db2.gz PSXJRTYWGLUQLI-VWYCJHECSA-N 1 0 201.310 1.257 10 0 BDAERO C[C@@H]1CC(C[NH2+]C[C@@H](O)C2CC2)C[C@@H](C)O1 ZINC000724443096 711580808 /nfs/dbraw/zinc/58/08/08/711580808.db2.gz CIAWZGSYGCNYRG-GIPNMCIBSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@H]1C[C@H]([NH2+]CC(C)(C)O)CCS1 ZINC000725619830 711666867 /nfs/dbraw/zinc/66/68/67/711666867.db2.gz QMBNMRABJUPEQW-DTWKUNHWSA-N 1 0 203.351 1.631 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCCO1 ZINC000136899447 711759809 /nfs/dbraw/zinc/75/98/09/711759809.db2.gz TVUIHQBLPSJOHJ-QWRGUYRKSA-N 1 0 242.363 1.435 10 0 BDAERO CCO[C@H]1CCC[C@H]([NH2+]C2CC(CO)C2)C1 ZINC000721254090 711798118 /nfs/dbraw/zinc/79/81/18/711798118.db2.gz JUEQWODRTYIERJ-MVKMKZAISA-N 1 0 227.348 1.695 10 0 BDAERO CC(C)c1nsc(N[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721894623 711812235 /nfs/dbraw/zinc/81/22/35/711812235.db2.gz CDYPZNMMUIBYDF-HTQZYQBOSA-N 1 0 226.349 1.681 10 0 BDAERO COC[C@H](C[NH2+]Cc1cnn(C)c1C)C(C)C ZINC000721881775 711810917 /nfs/dbraw/zinc/81/09/17/711810917.db2.gz MPUJLDIDOCNLGJ-ZDUSSCGKSA-N 1 0 239.363 1.737 10 0 BDAERO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](O)[C@H]2C)C1 ZINC000722022725 711899283 /nfs/dbraw/zinc/89/92/83/711899283.db2.gz HCFXUIAVKHBVTL-WYUUTHIRSA-N 1 0 213.321 1.257 10 0 BDAERO CC[C@@H](C)c1noc([C@H]2C[NH2+]CCOC2)n1 ZINC000700381694 711990294 /nfs/dbraw/zinc/99/02/94/711990294.db2.gz NPIIQFOFZCHTLX-BDAKNGLRSA-N 1 0 225.292 1.287 10 0 BDAERO CCCCSCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000701011308 712011676 /nfs/dbraw/zinc/01/16/76/712011676.db2.gz HWUTXWQHCYRFQU-WDEREUQCSA-N 1 0 244.404 1.776 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000702263921 712042661 /nfs/dbraw/zinc/04/26/61/712042661.db2.gz NKVFQTDAKBCQGJ-QWRGUYRKSA-N 1 0 246.782 1.457 10 0 BDAERO CO[C@H]1C[NH2+][C@@](C)(c2nc(C3CC3)no2)C1 ZINC000702734259 712060847 /nfs/dbraw/zinc/06/08/47/712060847.db2.gz IZTNCHXURDTIDT-LDYMZIIASA-N 1 0 223.276 1.171 10 0 BDAERO CSC1CC([NH2+]Cc2cn(C)nc2C)C1 ZINC000706762484 712154488 /nfs/dbraw/zinc/15/44/88/712154488.db2.gz ARFKFGUYKDZGBS-UHFFFAOYSA-N 1 0 225.361 1.712 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2CC(C)(C)CO2)cnn1C ZINC000708332296 712188075 /nfs/dbraw/zinc/18/80/75/712188075.db2.gz JKHKOJNYGNUXLU-LBPRGKRZSA-N 1 0 237.347 1.633 10 0 BDAERO C[C@H](CN1CCC[C@H]([NH2+]CCO)C1)C(C)(C)C ZINC000708637752 712195416 /nfs/dbraw/zinc/19/54/16/712195416.db2.gz XKULZUUKDPULBS-OLZOCXBDSA-N 1 0 242.407 1.715 10 0 BDAERO CC/C=C(/C)C(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708964471 712204581 /nfs/dbraw/zinc/20/45/81/712204581.db2.gz URJNILKWSNOGAQ-MYWRVBFOSA-N 1 0 240.347 1.307 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC1(OC)OC ZINC000710956328 712267757 /nfs/dbraw/zinc/26/77/57/712267757.db2.gz FGHYWFJYAYQWLS-VWYCJHECSA-N 1 0 213.321 1.916 10 0 BDAERO COC(=O)c1csc(C[NH2+][C@H](C)[C@H](C)O)c1 ZINC000711438247 712300200 /nfs/dbraw/zinc/30/02/00/712300200.db2.gz IDGKTEGNKLFMLP-SFYZADRCSA-N 1 0 243.328 1.394 10 0 BDAERO CSC1CC(NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000707123645 712372297 /nfs/dbraw/zinc/37/22/97/712372297.db2.gz VAESMHAWNAOQEE-UHFFFAOYSA-N 1 0 244.404 1.775 10 0 BDAERO C[C@H]([NH3+])CN(C)c1nc2c(cc1C#N)CCC2 ZINC000379754806 712397200 /nfs/dbraw/zinc/39/72/00/712397200.db2.gz SWYFMSFGKSTKSY-VIFPVBQESA-N 1 0 230.315 1.225 10 0 BDAERO COCc1nc(C[NH2+]C[C@@H]2CCN2C)cs1 ZINC000712571100 712447624 /nfs/dbraw/zinc/44/76/24/712447624.db2.gz WFPYKZJUHBWKBW-JTQLQIEISA-N 1 0 241.360 1.083 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)CC(F)(F)C(F)(F)F ZINC000713253500 712456476 /nfs/dbraw/zinc/45/64/76/712456476.db2.gz CHEHQDLCAVOFNQ-RXMQYKEDSA-N 1 0 248.195 1.298 10 0 BDAERO COCC1CC([NH2+]Cc2cc(C)nn2C)C1 ZINC000713972014 712475599 /nfs/dbraw/zinc/47/55/99/712475599.db2.gz BLXFAAGDOSOEFD-UHFFFAOYSA-N 1 0 223.320 1.243 10 0 BDAERO [NH3+]CCCN(C[C@H]1CCCO1)CC(F)(F)F ZINC000714333921 712482780 /nfs/dbraw/zinc/48/27/80/712482780.db2.gz VZFYSZVUGKWSKW-SECBINFHSA-N 1 0 240.269 1.379 10 0 BDAERO CCC1([NH3+])CCN([C@H](C)c2cnccn2)CC1 ZINC000714756669 712497724 /nfs/dbraw/zinc/49/77/24/712497724.db2.gz DVCYOSANCCTZEM-LLVKDONJSA-N 1 0 234.347 1.741 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCCSCC1)c1cn(C)nn1 ZINC000715939419 712544324 /nfs/dbraw/zinc/54/43/24/712544324.db2.gz ZFZZIQUVXGNJPO-ZJUUUORDSA-N 1 0 240.376 1.751 10 0 BDAERO C[C@@H]1CCCC[C@H]1C[NH2+]C1CC(C(N)=O)C1 ZINC000716684518 712570101 /nfs/dbraw/zinc/57/01/01/712570101.db2.gz OHNXUGMTMRYZLX-QKEWWQLBSA-N 1 0 224.348 1.666 10 0 BDAERO C[N@H+](CCCF)C[C@H]1CCC[C@@H](O)C1 ZINC000716747336 712571857 /nfs/dbraw/zinc/57/18/57/712571857.db2.gz JNRIUJMAURKTGJ-WDEREUQCSA-N 1 0 203.301 1.829 10 0 BDAERO C[C@H]1CCCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716741402 712571908 /nfs/dbraw/zinc/57/19/08/712571908.db2.gz QBWLWTLBBFYABL-PMUOWJKOSA-N 1 0 210.321 1.419 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000716746746 712571930 /nfs/dbraw/zinc/57/19/30/712571930.db2.gz UHFCGFKSDBZHEC-UHFFFAOYSA-N 1 0 245.735 1.150 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C2CC(C(N)=O)C2)C[C@@H]1C ZINC000716759049 712572527 /nfs/dbraw/zinc/57/25/27/712572527.db2.gz DTMZEARFSFQHLO-TZMBILIQSA-N 1 0 224.348 1.665 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)[C@H]1C ZINC000716762532 712572864 /nfs/dbraw/zinc/57/28/64/712572864.db2.gz YCVDDGFQIGCCMC-SGCDDIOWSA-N 1 0 224.348 1.665 10 0 BDAERO CC1=C[C@@H](C)C[C@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000716788538 712573726 /nfs/dbraw/zinc/57/37/26/712573726.db2.gz HFDYEVJIRPJNHW-SCLBLNCCSA-N 1 0 236.359 1.832 10 0 BDAERO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000716851754 712578605 /nfs/dbraw/zinc/57/86/05/712578605.db2.gz KKBVXTJINCDIOY-OBPIAQAESA-N 1 0 241.375 1.939 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000380018962 712671298 /nfs/dbraw/zinc/67/12/98/712671298.db2.gz VLPPIBPKGRKQQZ-QLVNRRSVSA-N 1 0 219.275 1.923 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1scnc1Cl ZINC000380179466 712706327 /nfs/dbraw/zinc/70/63/27/712706327.db2.gz FVXIGBFRBFZCJL-RXMQYKEDSA-N 1 0 233.724 1.134 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCc2ccns2)C1 ZINC000719863547 712824411 /nfs/dbraw/zinc/82/44/11/712824411.db2.gz BNMNQQVTYDMYCW-NXEZZACHSA-N 1 0 226.345 1.388 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCc1ccns1 ZINC000719859096 712824476 /nfs/dbraw/zinc/82/44/76/712824476.db2.gz BEVJZZIEXYAUBU-GXSJLCMTSA-N 1 0 226.345 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C[C@@H]1CN(c2cncc(Cl)n2)C[C@@H]1C[NH3+] ZINC000708888321 712202449 /nfs/dbraw/zinc/20/24/49/712202449.db2.gz IIYSJGKOAMFMRC-SFYZADRCSA-N 1 0 226.711 1.161 10 0 BDAERO CC[C@@H](C)N1CCc2sc(C[NH3+])nc2C1 ZINC000709755566 712217394 /nfs/dbraw/zinc/21/73/94/712217394.db2.gz PBHSVAAWWKHQFV-MRVPVSSYSA-N 1 0 225.361 1.758 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cn(C)cn1 ZINC000709895103 712231258 /nfs/dbraw/zinc/23/12/58/712231258.db2.gz FLTDGAIBHOBEGZ-SDDRHHMPSA-N 1 0 237.347 1.622 10 0 BDAERO C[C@@H](CC1CCC1)NC(=O)C1CC([NH3+])C1 ZINC000710295727 712250982 /nfs/dbraw/zinc/25/09/82/712250982.db2.gz ILAQNLVOQAYVLJ-PUSIOWJLSA-N 1 0 210.321 1.419 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000710868599 712260310 /nfs/dbraw/zinc/26/03/10/712260310.db2.gz CHWPCPGHFOWOSW-CRWXNKLISA-N 1 0 238.375 1.485 10 0 BDAERO OC1CC(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711090311 712279372 /nfs/dbraw/zinc/27/93/72/712279372.db2.gz NHYUQBIOURIBQG-RQEIOUPZSA-N 1 0 209.333 1.926 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOC1CC1 ZINC000711685747 712317452 /nfs/dbraw/zinc/31/74/52/712317452.db2.gz AEMHDPAWBBTZSK-NEPJUHHUSA-N 1 0 224.348 1.334 10 0 BDAERO C[C@H]1CN(Cc2nccn2C2CC2)C[C@H]1C[NH3+] ZINC000711727458 712323097 /nfs/dbraw/zinc/32/30/97/712323097.db2.gz YBLDCBZWVALXHJ-WDEREUQCSA-N 1 0 234.347 1.245 10 0 BDAERO c1cn(C2CC2)c(C[NH2+]CC[C@@H]2CCCO2)n1 ZINC000711749041 712324301 /nfs/dbraw/zinc/32/43/01/712324301.db2.gz JVTIBKMVJYABTJ-LBPRGKRZSA-N 1 0 235.331 1.877 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000711747742 712324325 /nfs/dbraw/zinc/32/43/25/712324325.db2.gz ATLCHQAFSLYUIV-PWSUYJOCSA-N 1 0 235.331 1.611 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCOC1CC1 ZINC000711785268 712330001 /nfs/dbraw/zinc/33/00/01/712330001.db2.gz IGFXDIZITHYKTB-NSHDSACASA-N 1 0 213.321 1.402 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000712077248 712340318 /nfs/dbraw/zinc/34/03/18/712340318.db2.gz ZMXWYSGUEDPZJV-MIMYLULJSA-N 1 0 210.321 1.276 10 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10 0 BDAERO COC[C@@H](C)C[NH2+]C1CC(COC)C1 ZINC000713983403 712475936 /nfs/dbraw/zinc/47/59/36/712475936.db2.gz ATGCUUVFZUOCFT-WHXUTIOJSA-N 1 0 201.310 1.284 10 0 BDAERO CCOC[C@@H](C)[NH2+]C1CC(COC)C1 ZINC000713986202 712476623 /nfs/dbraw/zinc/47/66/23/712476623.db2.gz UJYPQGZBZLLPBY-KPPDAEKUSA-N 1 0 201.310 1.426 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)C[C@@H]1CCCC1(F)F ZINC000714020370 712477415 /nfs/dbraw/zinc/47/74/15/712477415.db2.gz GOPSYHGCBHPZTQ-BDAKNGLRSA-N 1 0 234.290 1.665 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](c2nc(-c3ccoc3)no2)CO1 ZINC000714057711 712477788 /nfs/dbraw/zinc/47/77/88/712477788.db2.gz HPKYAAHCXSBUPB-BDAKNGLRSA-N 1 0 235.243 1.161 10 0 BDAERO CC(C)(C)Cc1noc([C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714061140 712477955 /nfs/dbraw/zinc/47/79/55/712477955.db2.gz UMLKFQBMPHZEKM-BDAKNGLRSA-N 1 0 239.319 1.489 10 0 BDAERO CCC1([NH3+])CCN(c2nc(C)ns2)CC1 ZINC000714752103 712497425 /nfs/dbraw/zinc/49/74/25/712497425.db2.gz OTDFPEUNEALRQS-UHFFFAOYSA-N 1 0 226.349 1.554 10 0 BDAERO CC1(C)OC[C@H](C[NH2+][C@H]2CCC[C@H](O)C2)O1 ZINC000715081633 712506950 /nfs/dbraw/zinc/50/69/50/712506950.db2.gz LOFIQTWATDGBQU-DCAQKATOSA-N 1 0 229.320 1.031 10 0 BDAERO [NH3+]C1CC(CNC(=O)CCc2ccccc2O)C1 ZINC000715085345 712507743 /nfs/dbraw/zinc/50/77/43/712507743.db2.gz IWCUAAQBPZNZLL-UHFFFAOYSA-N 1 0 248.326 1.178 10 0 BDAERO CC(C)(C)c1ccnc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715094019 712507946 /nfs/dbraw/zinc/50/79/46/712507946.db2.gz OXDZDKYVHXKUII-MGCOHNPYSA-N 1 0 234.347 1.923 10 0 BDAERO CCc1ccc(C(=O)NCC2CC([NH3+])C2)s1 ZINC000715091099 712507951 /nfs/dbraw/zinc/50/79/51/712507951.db2.gz FWANELXNFPQREJ-UHFFFAOYSA-N 1 0 238.356 1.778 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ncnc3[nH]ccc32)C1 ZINC000715140571 712511230 /nfs/dbraw/zinc/51/12/30/712511230.db2.gz GTQBFJLLOGDCMW-ZKCHVHJHSA-N 1 0 217.276 1.107 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cccnc2Cl)C1 ZINC000715140672 712512074 /nfs/dbraw/zinc/51/20/74/712512074.db2.gz JIAFXCZGFPVYNQ-UHFFFAOYSA-N 1 0 239.706 1.202 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715470158 712520256 /nfs/dbraw/zinc/52/02/56/712520256.db2.gz GXPYAEFSLUHLLF-RWMBFGLXSA-N 1 0 241.375 1.941 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715528454 712526258 /nfs/dbraw/zinc/52/62/58/712526258.db2.gz BBEKFWNGPRNSQE-FPMFFAJLSA-N 1 0 239.359 1.648 10 0 BDAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715914367 712542120 /nfs/dbraw/zinc/54/21/20/712542120.db2.gz UBMXXTXWNJBIOK-ATZCPNFKSA-N 1 0 224.308 1.033 10 0 BDAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)SC1)c1cn(C)nn1 ZINC000715919498 712542327 /nfs/dbraw/zinc/54/23/27/712542327.db2.gz HASHDKNTELZJQX-BBBLOLIVSA-N 1 0 240.376 1.750 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000716468150 712563369 /nfs/dbraw/zinc/56/33/69/712563369.db2.gz XYJYBMMLGKOAPB-LZRJYULZSA-N 1 0 248.370 1.474 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000716723275 712571026 /nfs/dbraw/zinc/57/10/26/712571026.db2.gz NYQFFOAPKVWPNJ-ORHYLEIMSA-N 1 0 244.338 1.918 10 0 BDAERO COCc1cccc(C[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716733085 712571608 /nfs/dbraw/zinc/57/16/08/712571608.db2.gz XVMWWZCCGZTVRJ-UHFFFAOYSA-N 1 0 248.326 1.187 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1cncs1 ZINC000716746481 712572108 /nfs/dbraw/zinc/57/21/08/712572108.db2.gz QYPDOKXZQBXMJY-KKMMWDRVSA-N 1 0 225.317 1.058 10 0 BDAERO NC(=O)C1CC([NH2+]CCC2CCCCC2)C1 ZINC000716759456 712572615 /nfs/dbraw/zinc/57/26/15/712572615.db2.gz HQLBGOKBVPNQFY-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO NC(=O)C1CC([NH2+]CC2CCCCCC2)C1 ZINC000716761764 712572879 /nfs/dbraw/zinc/57/28/79/712572879.db2.gz TZIOVYDNOWPGFB-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C2CC(C(N)=O)C2)cc1 ZINC000716774841 712573180 /nfs/dbraw/zinc/57/31/80/712573180.db2.gz JKNQGJAANOLTRS-QFWMXSHPSA-N 1 0 232.327 1.910 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000716775972 712573412 /nfs/dbraw/zinc/57/34/12/712573412.db2.gz ZPFTVXFXFJSRNY-GCZXYKMCSA-N 1 0 230.311 1.527 10 0 BDAERO CC[C@H](C[C@@H](C)O)[NH2+]C[C@H](O)C(C)(C)C ZINC000716886787 712580472 /nfs/dbraw/zinc/58/04/72/712580472.db2.gz RKVDBIOCJYUWQC-MXWKQRLJSA-N 1 0 217.353 1.533 10 0 BDAERO Cc1ccc(C#N)c(N(C)C[C@@H](C)[NH3+])n1 ZINC000379903519 712622655 /nfs/dbraw/zinc/62/26/55/712622655.db2.gz GYQJEPBDIXSIPM-MRVPVSSYSA-N 1 0 204.277 1.045 10 0 BDAERO CC1(C)CO[C@H](CC(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000717098467 712630676 /nfs/dbraw/zinc/63/06/76/712630676.db2.gz WXBIFNIRRFDBCX-WDEREUQCSA-N 1 0 240.347 1.141 10 0 BDAERO CC1(C)CO[C@H](CC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000717098464 712630841 /nfs/dbraw/zinc/63/08/41/712630841.db2.gz WXBIFNIRRFDBCX-GHMZBOCLSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@H](O)[C@H](O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000717340801 712649501 /nfs/dbraw/zinc/64/95/01/712649501.db2.gz JMSJQMYXMYWYFK-NOOOWODRSA-N 1 0 229.364 1.533 10 0 BDAERO C[C@H]1CN(C(=O)CC[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC000037632208 712705236 /nfs/dbraw/zinc/70/52/36/712705236.db2.gz FGWMYTUIZVMRFW-QWRGUYRKSA-N 1 0 242.363 1.400 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000380191259 712710386 /nfs/dbraw/zinc/71/03/86/712710386.db2.gz OZIURRMFZAEUDE-QWRGUYRKSA-N 1 0 209.293 1.050 10 0 BDAERO c1ccc(CC[NH2+][C@]23C[C@H]2COC3)cc1 ZINC000718009193 712735848 /nfs/dbraw/zinc/73/58/48/712735848.db2.gz QMSXEXRFMGWOOR-STQMWFEESA-N 1 0 203.285 1.608 10 0 BDAERO C[C@H]([NH3+])CC(=O)NCc1cnc(Cl)s1 ZINC000718180191 712751857 /nfs/dbraw/zinc/75/18/57/712751857.db2.gz FYCPEQFTXMZHDG-YFKPBYRVSA-N 1 0 233.724 1.150 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCCC(C)(F)F ZINC000718349920 712756333 /nfs/dbraw/zinc/75/63/33/712756333.db2.gz CFYMMZFCXRZPBL-DTWKUNHWSA-N 1 0 234.290 1.679 10 0 BDAERO Cc1coc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000718497538 712767343 /nfs/dbraw/zinc/76/73/43/712767343.db2.gz CWIBQDIXGOUVNG-GARJFASQSA-N 1 0 234.299 1.397 10 0 BDAERO Cc1coc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000718504492 712767579 /nfs/dbraw/zinc/76/75/79/712767579.db2.gz UGISNYARPVVVNX-LLVKDONJSA-N 1 0 236.315 1.802 10 0 BDAERO CC(C)(CO)[NH2+]CC1(O)CCCCC1 ZINC000037888250 712780991 /nfs/dbraw/zinc/78/09/91/712780991.db2.gz SJICISIXUCCDAC-UHFFFAOYSA-N 1 0 201.310 1.042 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000718918503 712788059 /nfs/dbraw/zinc/78/80/59/712788059.db2.gz SYXONUZZWXQOOI-FRRDWIJNSA-N 1 0 245.363 1.009 10 0 BDAERO [NH3+][C@@H]1CCCN(c2ccnc3ncccc32)C1 ZINC000718930129 712788230 /nfs/dbraw/zinc/78/82/30/712788230.db2.gz MWLLEBXZBNLUQM-SNVBAGLBSA-N 1 0 228.299 1.557 10 0 BDAERO C[C@@H]1CN(c2ccnc3ncccc23)CC[C@H]1[NH3+] ZINC000718981734 712790938 /nfs/dbraw/zinc/79/09/38/712790938.db2.gz LGXRANWVHXVGGW-ZYHUDNBSSA-N 1 0 242.326 1.803 10 0 BDAERO [NH3+]CCCNc1ccnc2ncccc12 ZINC000718983721 712791531 /nfs/dbraw/zinc/79/15/31/712791531.db2.gz CGJKTEQKOYCQJX-UHFFFAOYSA-N 1 0 202.261 1.391 10 0 BDAERO CC(C)[C@@H](C)NC(=O)Cc1csc(C[NH3+])n1 ZINC000719084679 712796424 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/nfs/dbraw/zinc/83/83/13/712838313.db2.gz UNWWGNVTNQJDQK-WPRPVWTQSA-N 1 0 209.293 1.010 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1cccc2ncccc12 ZINC000720440440 712842712 /nfs/dbraw/zinc/84/27/12/712842712.db2.gz YBUNEMJBZVNTPK-SNVBAGLBSA-N 1 0 243.310 1.459 10 0 BDAERO Cc1cc(N[C@H](C)c2cn(C)nn2)cc[nH+]1 ZINC000720584385 712854507 /nfs/dbraw/zinc/85/45/07/712854507.db2.gz RFOQKELMKWEMIL-SECBINFHSA-N 1 0 217.276 1.114 10 0 BDAERO C[C@@H]1Cc2cc(C[NH2+]CC3CC(O)C3)ccc2O1 ZINC000720797766 712866495 /nfs/dbraw/zinc/86/64/95/712866495.db2.gz LBIAEQSCICUHEP-PWQPVHBWSA-N 1 0 247.338 1.871 10 0 BDAERO CC(C)(C[NH3+])Cc1nc([C@@H]2CC23CC3)no1 ZINC000720919094 712878401 /nfs/dbraw/zinc/87/84/01/712878401.db2.gz OVOJNYAWMSXGDV-QMMMGPOBSA-N 1 0 221.304 1.865 10 0 BDAERO C[C@@H](CC(=O)[O-])[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715582395 955113620 /nfs/dbraw/zinc/11/36/20/955113620.db2.gz DFZHUMHTCARDBF-WHXUTIOJSA-N 1 0 228.336 1.312 10 0 BDAERO C[C@H](CC[NH+](C)C)[NH2+]CCC(C)(C)C(=O)[O-] ZINC000396026934 972847110 /nfs/dbraw/zinc/84/71/10/972847110.db2.gz KYRFGCKCRGWAIJ-SNVBAGLBSA-N 1 0 230.352 1.417 10 0 BDAERO C[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000688491004 976180914 /nfs/dbraw/zinc/18/09/14/976180914.db2.gz BPKAPWLSICSDFC-LLVKDONJSA-N 1 0 242.363 1.371 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@H](C(C)C)C[C@H]1C[NH3+] ZINC000685953915 538898746 /nfs/dbraw/zinc/89/87/46/538898746.db2.gz JNFYFMRURJNULB-SDDRHHMPSA-N 1 0 247.404 1.821 10 0 BDAERO CCC[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000685963732 538910431 /nfs/dbraw/zinc/91/04/31/538910431.db2.gz WHJCBDWPAOYBOT-LBPRGKRZSA-N 1 0 215.337 1.411 10 0 BDAERO CCCN1CCC(=O)C12CC[NH+](C)CC2 ZINC000685954984 538900032 /nfs/dbraw/zinc/90/00/32/538900032.db2.gz RGTBGWLVMYNXAQ-UHFFFAOYSA-N 1 0 210.321 1.136 10 0 BDAERO CC(C)[N@@H+]1CCC(=O)[C@]12CCCOCC2 ZINC000685954786 538900139 /nfs/dbraw/zinc/90/01/39/538900139.db2.gz PCKKEZKBHHUAEW-GFCCVEGCSA-N 1 0 211.305 1.609 10 0 BDAERO CCOC(=O)C(F)(F)CN[C@@H](C)CC ZINC000685957030 538903488 /nfs/dbraw/zinc/90/34/88/538903488.db2.gz KMZQPIKBOMMGEA-ZETCQYMHSA-N 1 0 209.236 1.573 10 0 BDAERO CNCC(F)(F)CN1C[C@@H](C)C[C@@H]1C ZINC000685957071 538903548 /nfs/dbraw/zinc/90/35/48/538903548.db2.gz LMHGPFDJJMTJEB-IUCAKERBSA-N 1 0 206.280 1.571 10 0 BDAERO CCCNCC(F)(F)CN1CC[C@@H]1C ZINC000685957620 538904925 /nfs/dbraw/zinc/90/49/25/538904925.db2.gz VHMKCLSYURCRNI-VIFPVBQESA-N 1 0 206.280 1.716 10 0 BDAERO CNCC(F)(F)CN1CCCCCC1 ZINC000685957637 538905108 /nfs/dbraw/zinc/90/51/08/538905108.db2.gz WDSFEIWHHCUJOX-UHFFFAOYSA-N 1 0 206.280 1.717 10 0 BDAERO CCCCn1c2c(nc1N(C)C)C[NH2+]CC2 ZINC000685962802 538909877 /nfs/dbraw/zinc/90/98/77/538909877.db2.gz VAQVGRFJHQAKAA-UHFFFAOYSA-N 1 0 222.336 1.395 10 0 BDAERO CC(C)(C)[NH2+]CC[C@H](CO)[C@H]1CCCOC1 ZINC000685963065 538910067 /nfs/dbraw/zinc/91/00/67/538910067.db2.gz GAHQVVVHMCOENC-NEPJUHHUSA-N 1 0 229.364 1.800 10 0 BDAERO C[C@@H]1CCc2[nH]nc(C3=CC[NH2+]CC3)c2C1 ZINC000685952348 538896416 /nfs/dbraw/zinc/89/64/16/538896416.db2.gz GZZSLGNJJSCDBN-SECBINFHSA-N 1 0 217.316 1.911 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C)C[C@@H]1[NH3+] ZINC000685952994 538896519 /nfs/dbraw/zinc/89/65/19/538896519.db2.gz FEUFUAQZLDXWQY-KXUCPTDWSA-N 1 0 219.350 1.327 10 0 BDAERO C=C(OCC)c1nn(C)cc1C[NH2+]C1CC1 ZINC000685965246 538911511 /nfs/dbraw/zinc/91/15/11/538911511.db2.gz VWVZUHPMCFCOBJ-UHFFFAOYSA-N 1 0 221.304 1.679 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000685965373 538911794 /nfs/dbraw/zinc/91/17/94/538911794.db2.gz BSCQCVYLXBUAJA-RDDDGLTNSA-N 1 0 230.233 1.508 10 0 BDAERO Cc1cc(F)ccc1[C@@H]1C[NH2+]C[C@]1(C)N ZINC000685965378 538911955 /nfs/dbraw/zinc/91/19/55/538911955.db2.gz BTSFVHGSEUQMQC-RYUDHWBXSA-N 1 0 208.280 1.538 10 0 BDAERO Cc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)c(F)c1 ZINC000685965809 538912061 /nfs/dbraw/zinc/91/20/61/538912061.db2.gz UHQDNIUUROVBIT-ZYHUDNBSSA-N 1 0 208.280 1.538 10 0 BDAERO Cc1cc(F)c([C@H]2C[NH2+]C[C@]2(C)N)cc1F ZINC000685965392 538912107 /nfs/dbraw/zinc/91/21/07/538912107.db2.gz CEXXPLQZQWJIBG-SKDRFNHKSA-N 1 0 226.270 1.677 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000685965813 538912168 /nfs/dbraw/zinc/91/21/68/538912168.db2.gz UMTPMPALSYUOGK-MWLCHTKSSA-N 1 0 210.708 1.744 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000685965821 538912185 /nfs/dbraw/zinc/91/21/85/538912185.db2.gz UTEJZFGBFHCLAU-VXGBXAGGSA-N 1 0 206.289 1.099 10 0 BDAERO Cc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1F ZINC000685965613 538912282 /nfs/dbraw/zinc/91/22/82/538912282.db2.gz LDSDHCCYXMJDEA-CMPLNLGQSA-N 1 0 208.280 1.538 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000378683394 346807359 /nfs/dbraw/zinc/80/73/59/346807359.db2.gz ZCMHYKQGPJLYPH-WCBMZHEXSA-N 1 0 213.227 1.435 10 0 BDAERO C[C@H]1C[C@H](NC=O)CC[N@@H+]1Cc1ccccc1 ZINC000307369003 398141334 /nfs/dbraw/zinc/14/13/34/398141334.db2.gz QPMIMVMZOWXRSY-GXTWGEPZSA-N 1 0 232.327 1.786 10 0 BDAERO CCC(CC)(CN)[N@@H+]1CCCO[C@H](C)C1 ZINC000061916235 168322446 /nfs/dbraw/zinc/32/24/46/168322446.db2.gz OBGYKRAMXFCFGO-LLVKDONJSA-N 1 0 214.353 1.615 10 0 BDAERO Cc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)ncn1 ZINC000257697062 349471860 /nfs/dbraw/zinc/47/18/60/349471860.db2.gz KKQQFGFJLASTMO-CYBMUJFWSA-N 1 0 232.331 1.365 10 0 BDAERO CCn1cnnc1C1CC[NH+](CC2CC2)CC1 ZINC000156243985 136213500 /nfs/dbraw/zinc/21/35/00/136213500.db2.gz QNAQDTDAMBWQAS-UHFFFAOYSA-N 1 0 234.347 1.887 10 0 BDAERO CSCC[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000158817569 136214025 /nfs/dbraw/zinc/21/40/25/136214025.db2.gz AWLDKOTUPHTJIQ-GARJFASQSA-N 1 0 244.404 1.442 10 0 BDAERO COC[C@@]1(C(=O)Nc2cncc(C)c2)CCC[NH2+]1 ZINC000649332060 398148945 /nfs/dbraw/zinc/14/89/45/398148945.db2.gz UELQECIKGVVHNX-CYBMUJFWSA-N 1 0 249.314 1.097 10 0 BDAERO Cc1cc(C[NH2+]C2CC2)nc(N(C)C)n1 ZINC000054831853 178018416 /nfs/dbraw/zinc/01/84/16/178018416.db2.gz GCZGYBAXLVYOGL-UHFFFAOYSA-N 1 0 206.293 1.103 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cs1 ZINC000296751797 178038123 /nfs/dbraw/zinc/03/81/23/178038123.db2.gz KMAVARSCQYOVBV-KOLCDFICSA-N 1 0 238.356 1.813 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCCC[C@H]2O)no1 ZINC000044724487 178040037 /nfs/dbraw/zinc/04/00/37/178040037.db2.gz YLSPAOGGLYYLCO-NWDGAFQWSA-N 1 0 224.304 1.766 10 0 BDAERO CC(C)(C)CCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643711565 398180065 /nfs/dbraw/zinc/18/00/65/398180065.db2.gz VUAAPSVLBBNCIU-NSHDSACASA-N 1 0 242.363 1.165 10 0 BDAERO C[C@@H]1CN[C@@](C)([C@H]2CCC[NH2+]2)SC1 ZINC000307397150 398160485 /nfs/dbraw/zinc/16/04/85/398160485.db2.gz URURUVSMAJMVIQ-OPRDCNLKSA-N 1 0 200.351 1.427 10 0 BDAERO C[NH2+][C@@H](C)CNc1ncnc2c1CCCCC2 ZINC000379726346 398163305 /nfs/dbraw/zinc/16/33/05/398163305.db2.gz VCFFPOFQSOFNNN-JTQLQIEISA-N 1 0 234.347 1.187 10 0 BDAERO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000309156560 136217647 /nfs/dbraw/zinc/21/76/47/136217647.db2.gz XPDNTABPAGDKND-QWRGUYRKSA-N 1 0 213.321 1.042 10 0 BDAERO CCc1nc(C)cc(N2CC[C@@H]([NH3+])[C@H](CC)C2)n1 ZINC000385458409 398164682 /nfs/dbraw/zinc/16/46/82/398164682.db2.gz SUESKIOCODAWHY-VXGBXAGGSA-N 1 0 248.374 1.911 10 0 BDAERO Cc1cc(Cl)nc(NC2CC[NH2+]CC2)n1 ZINC000095068930 178071269 /nfs/dbraw/zinc/07/12/69/178071269.db2.gz KWPXNJAOPCWNHR-UHFFFAOYSA-N 1 0 226.711 1.602 10 0 BDAERO Cc1cc(Cl)nc(N2CCC[C@@H]2C[NH3+])n1 ZINC000095068914 178071733 /nfs/dbraw/zinc/07/17/33/178071733.db2.gz BTSLJHXXSZRJGN-MRVPVSSYSA-N 1 0 226.711 1.366 10 0 BDAERO C[C@H](C[NH3+])[S@](=O)CCOCc1ccccc1 ZINC000307439547 398167130 /nfs/dbraw/zinc/16/71/30/398167130.db2.gz WWHLWZBGVFSMLD-BDJLRTHQSA-N 1 0 241.356 1.299 10 0 BDAERO COc1ccccc1CN[C@H]1CCC[NH2+][C@H]1C ZINC000396715107 398167221 /nfs/dbraw/zinc/16/72/21/398167221.db2.gz SPGJTCMFDHMOEE-AAEUAGOBSA-N 1 0 234.343 1.925 10 0 BDAERO Cc1cc(Cn2nc(C)c(C[NH3+])c2C)on1 ZINC000036868376 178075128 /nfs/dbraw/zinc/07/51/28/178075128.db2.gz JWCBTYPUKIXTQY-UHFFFAOYSA-N 1 0 220.276 1.303 10 0 BDAERO Cc1cc(F)ccc1-n1ccc(C[NH3+])n1 ZINC000082639740 178080441 /nfs/dbraw/zinc/08/04/41/178080441.db2.gz LMDKIMXQPAUQSW-UHFFFAOYSA-N 1 0 205.236 1.779 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1CNC(=O)OC(C)(C)C ZINC000039093819 398194881 /nfs/dbraw/zinc/19/48/81/398194881.db2.gz CEFJWUXTHLISAP-IUCAKERBSA-N 1 0 214.309 1.367 10 0 BDAERO Cc1cc(N)ccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062964369 178106209 /nfs/dbraw/zinc/10/62/09/178106209.db2.gz AWFKXGIIJBLEJH-LBPRGKRZSA-N 1 0 247.342 1.353 10 0 BDAERO Cc1cc(N)ccc1N[C@H]1CC[N@@H+](C)C1 ZINC000042544936 178106575 /nfs/dbraw/zinc/10/65/75/178106575.db2.gz YVSFVLAWRFXQDY-NSHDSACASA-N 1 0 205.305 1.693 10 0 BDAERO Cn1cc(-c2ccnc([C@@H]3CCC[NH2+]C3)n2)cn1 ZINC000536954506 398197993 /nfs/dbraw/zinc/19/79/93/398197993.db2.gz MFEZLPIGVVRXGV-SNVBAGLBSA-N 1 0 243.314 1.344 10 0 BDAERO Cc1cc(N)[nH+]c(C[C@H](C)OCCF)c1 ZINC000040917908 178109923 /nfs/dbraw/zinc/10/99/23/178109923.db2.gz KYQKBPUATKJIAU-VIFPVBQESA-N 1 0 212.268 1.889 10 0 BDAERO CC[C@@H](O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000175350678 365545296 /nfs/dbraw/zinc/54/52/96/365545296.db2.gz ZVSLJPWMLFJYDJ-VXGBXAGGSA-N 1 0 214.353 1.173 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@H]1C ZINC000380737052 398206891 /nfs/dbraw/zinc/20/68/91/398206891.db2.gz KEKYKFLQKAQKAI-GMTAPVOTSA-N 1 0 212.337 1.617 10 0 BDAERO Cc1cc(NC(=O)[C@@H]([NH3+])C(C)C)ccc1O ZINC000148489306 178143654 /nfs/dbraw/zinc/14/36/54/178143654.db2.gz ZRWWCSQPNLOXMR-NSHDSACASA-N 1 0 222.288 1.622 10 0 BDAERO Cc1cc(NC(=O)[C@@H]([NH3+])c2ccccc2)no1 ZINC000019473139 178143671 /nfs/dbraw/zinc/14/36/71/178143671.db2.gz RCJIJQSVRLUSBH-NSHDSACASA-N 1 0 231.255 1.622 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)no1 ZINC000070502649 178147387 /nfs/dbraw/zinc/14/73/87/178147387.db2.gz ZWFWTILAZLTYIE-DTWKUNHWSA-N 1 0 223.276 1.439 10 0 BDAERO Cc1cc2ncnn2c(NCC(C)(C)[NH+](C)C)c1 ZINC000049933812 178155942 /nfs/dbraw/zinc/15/59/42/178155942.db2.gz GMXMMVPDLPKZQL-UHFFFAOYSA-N 1 0 247.346 1.790 10 0 BDAERO Cc1cc(NCCC(=O)N(C)C)cc[nH+]1 ZINC000229562867 178157764 /nfs/dbraw/zinc/15/77/64/178157764.db2.gz KKFLVQLEWLJVLI-UHFFFAOYSA-N 1 0 207.277 1.280 10 0 BDAERO Cc1cc(NCC2CC[NH2+]CC2)nc(Cl)n1 ZINC000073734836 178158034 /nfs/dbraw/zinc/15/80/34/178158034.db2.gz BOWJYQZPMREEBN-UHFFFAOYSA-N 1 0 240.738 1.850 10 0 BDAERO Cc1cc(NC[C@H]2CN(C3CC3)CCO2)cc[nH+]1 ZINC000302221497 178170439 /nfs/dbraw/zinc/17/04/39/178170439.db2.gz NYJUDJIYFNRRGE-AWEZNQCLSA-N 1 0 247.342 1.665 10 0 BDAERO Cc1cc(N[C@@H]2CCc3ncnn3C2)cc[nH+]1 ZINC000274357382 178183433 /nfs/dbraw/zinc/18/34/33/178183433.db2.gz MHHHPUHIXMAVDF-LLVKDONJSA-N 1 0 229.287 1.408 10 0 BDAERO Cc1cc(N[C@H]2CC[N@@H+](C)C2)nc(Cl)n1 ZINC000052814589 178190471 /nfs/dbraw/zinc/19/04/71/178190471.db2.gz LJJQNBNVBQSYBS-QMMMGPOBSA-N 1 0 226.711 1.554 10 0 BDAERO Cc1cc(OCC[C@H]2CCCC[NH2+]2)ncn1 ZINC000051871425 178211334 /nfs/dbraw/zinc/21/13/34/178211334.db2.gz WJEWMPMNYMCOGJ-LLVKDONJSA-N 1 0 221.304 1.696 10 0 BDAERO Cc1cc(OC[C@@H]2CCC[NH2+]2)cc(=O)o1 ZINC000169726353 178212633 /nfs/dbraw/zinc/21/26/33/178212633.db2.gz WJZGRNNCYZDUDC-VIFPVBQESA-N 1 0 209.245 1.079 10 0 BDAERO Cc1cc(Sc2nccnc2C[NH3+])n(C)n1 ZINC000054378875 178219741 /nfs/dbraw/zinc/21/97/41/178219741.db2.gz OCAGWAHYFVECJG-UHFFFAOYSA-N 1 0 235.316 1.128 10 0 BDAERO CNc1nnc(SC[C@@H](C)[NH3+])s1 ZINC000306642998 361774447 /nfs/dbraw/zinc/77/44/47/361774447.db2.gz VNXUHEZHSBAJMB-SCSAIBSYSA-N 1 0 204.324 1.019 10 0 BDAERO CN1CC[N@H+](Cc2ccccc2)C[C@H]1CF ZINC000616221043 343988787 /nfs/dbraw/zinc/98/87/87/343988787.db2.gz OAVAXGZSMPFCPP-CYBMUJFWSA-N 1 0 222.307 1.772 10 0 BDAERO Cc1cc([C@@H]2CCC[NH2+]2)nc(-n2ccnc2)n1 ZINC000071624361 178239333 /nfs/dbraw/zinc/23/93/33/178239333.db2.gz HYCHFVUWHCJNFC-JTQLQIEISA-N 1 0 229.287 1.395 10 0 BDAERO CC(C)[NH2+]C[C@H](O)c1ccnn1-c1ccccc1 ZINC000229470187 538939605 /nfs/dbraw/zinc/93/96/05/538939605.db2.gz MDCYXPZGBDSPKG-AWEZNQCLSA-N 1 0 245.326 1.904 10 0 BDAERO C[NH2+]C[C@H](O)c1ccnn1-c1ccccc1 ZINC000229470119 538939700 /nfs/dbraw/zinc/93/97/00/538939700.db2.gz GLUINWQWSKQYKA-LBPRGKRZSA-N 1 0 217.272 1.125 10 0 BDAERO CC(C)C[C@@H]1CCN(C(=O)C(C)C)C[C@H]1[NH3+] ZINC000616569724 538938068 /nfs/dbraw/zinc/93/80/68/538938068.db2.gz JSXOYOMFVZIWEY-NWDGAFQWSA-N 1 0 226.364 1.864 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccccc1 ZINC000616569650 538938071 /nfs/dbraw/zinc/93/80/71/538938071.db2.gz JGYVGWYLIDWHRP-UONOGXRCSA-N 1 0 246.354 1.733 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CSC1(C)C ZINC000393846968 343992232 /nfs/dbraw/zinc/99/22/32/343992232.db2.gz GNYWKMXKEYLRIA-BDAKNGLRSA-N 1 0 217.378 1.877 10 0 BDAERO Cc1ccc(CN[C@H](C)[C@@H]2CC[NH2+]C2)o1 ZINC000400507102 398241252 /nfs/dbraw/zinc/24/12/52/398241252.db2.gz DPVFFJWEYWTLIX-GHMZBOCLSA-N 1 0 208.305 1.676 10 0 BDAERO Cc1cc2c(cc1C)NC(=O)[C@H](C[NH3+])C2 ZINC000011982231 178285507 /nfs/dbraw/zinc/28/55/07/178285507.db2.gz SJLCIJPHBHUABX-JTQLQIEISA-N 1 0 204.273 1.373 10 0 BDAERO CCOc1nccnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000576494244 365610346 /nfs/dbraw/zinc/61/03/46/365610346.db2.gz ZIPVCKNSLLZQJL-GHMZBOCLSA-N 1 0 248.330 1.064 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)C[C@H](C)[C@H]2[NH3+] ZINC000035755717 178286568 /nfs/dbraw/zinc/28/65/68/178286568.db2.gz RDMYCBHAQNSTPW-JOYOIKCWSA-N 1 0 239.340 1.727 10 0 BDAERO Cc1cc2nc([C@H]([NH3+])CO)[nH]c2cc1C ZINC000051847920 178303062 /nfs/dbraw/zinc/30/30/62/178303062.db2.gz DXDFIDHTKKYWKM-MRVPVSSYSA-N 1 0 205.261 1.172 10 0 BDAERO Cc1cc2nc([C@@H]([NH3+])CO)[nH]c2cc1C ZINC000051847921 178303223 /nfs/dbraw/zinc/30/32/23/178303223.db2.gz DXDFIDHTKKYWKM-QMMMGPOBSA-N 1 0 205.261 1.172 10 0 BDAERO CCC(CC)N(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037117248 168367813 /nfs/dbraw/zinc/36/78/13/168367813.db2.gz XHIGEUGHAHUYCI-NSHDSACASA-N 1 0 212.337 1.776 10 0 BDAERO Cc1ccc(-c2ccc(C[NH3+])c(=O)[nH]2)cc1 ZINC000043404292 178323913 /nfs/dbraw/zinc/32/39/13/178323913.db2.gz ZTSSERRJRKMAIO-UHFFFAOYSA-N 1 0 214.268 1.809 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)O1 ZINC000381387441 398255167 /nfs/dbraw/zinc/25/51/67/398255167.db2.gz MNKXNYHXZRVWTF-MLGHIDQZSA-N 1 0 224.348 1.223 10 0 BDAERO Cc1ccc(=O)n(CC[NH2+]C2CCCC2)n1 ZINC000061811045 178361066 /nfs/dbraw/zinc/36/10/66/178361066.db2.gz NCIGSOCBZSCJTI-UHFFFAOYSA-N 1 0 221.304 1.084 10 0 BDAERO Cc1ccc(=O)n(CCC[NH2+]C2CCCC2)n1 ZINC000061811015 178361155 /nfs/dbraw/zinc/36/11/55/178361155.db2.gz RBERLRIIDQARAO-UHFFFAOYSA-N 1 0 235.331 1.474 10 0 BDAERO Cc1ccc(Br)cc1[C@](C)(O)C[NH3+] ZINC000083255886 178362260 /nfs/dbraw/zinc/36/22/60/178362260.db2.gz PPSBWCRUZNCPSA-SNVBAGLBSA-N 1 0 244.132 1.924 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@H](C)C[NH3+])cc1C ZINC000042455053 178377716 /nfs/dbraw/zinc/37/77/16/178377716.db2.gz MAGMHNYCEYHKGN-SNVBAGLBSA-N 1 0 234.343 1.970 10 0 BDAERO O=C1CCCCC(=O)C1[C@@H]1CCCC[NH2+]1 ZINC000230796558 538951220 /nfs/dbraw/zinc/95/12/20/538951220.db2.gz JSUFKJWQCYGMQM-VIFPVBQESA-N 1 0 209.289 1.457 10 0 BDAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccoc1 ZINC000177732461 538952164 /nfs/dbraw/zinc/95/21/64/538952164.db2.gz CZJGGTQRPDTPHV-NWDGAFQWSA-N 1 0 238.331 1.651 10 0 BDAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccccn2)cn1 ZINC000177993415 538952558 /nfs/dbraw/zinc/95/25/58/538952558.db2.gz CDXNGXIAGFYKAT-AWEZNQCLSA-N 1 0 242.326 1.943 10 0 BDAERO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000378755317 346825185 /nfs/dbraw/zinc/82/51/85/346825185.db2.gz XPWNAKWZBNBLDP-SDDRHHMPSA-N 1 0 229.364 1.941 10 0 BDAERO CCC(CC)[C@H]([NH3+])CNC(=O)NC(C)C ZINC000230629339 538950497 /nfs/dbraw/zinc/95/04/97/538950497.db2.gz FRPQZOJBGCWCEL-SNVBAGLBSA-N 1 0 215.341 1.458 10 0 BDAERO Cc1ccc(C(=O)CN2CC[NH2+]CC2)s1 ZINC000050145297 178373293 /nfs/dbraw/zinc/37/32/93/178373293.db2.gz WVUGYMBRBMVLOX-UHFFFAOYSA-N 1 0 224.329 1.144 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)s1 ZINC000113468460 178396131 /nfs/dbraw/zinc/39/61/31/178396131.db2.gz LYNGQUPZKYWAQN-SNVBAGLBSA-N 1 0 238.356 1.833 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000038417894 178396675 /nfs/dbraw/zinc/39/66/75/178396675.db2.gz HYDLSKBUKARAOX-LBPRGKRZSA-N 1 0 233.315 1.166 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(C)(C)O ZINC000335143061 136233593 /nfs/dbraw/zinc/23/35/93/136233593.db2.gz GJIJWGDRDQKILM-NXEZZACHSA-N 1 0 201.310 1.257 10 0 BDAERO Cc1nnsc1-c1ncc(C[NH3+])s1 ZINC000306644203 361828632 /nfs/dbraw/zinc/82/86/32/361828632.db2.gz YWHJQMZBJBMEEA-UHFFFAOYSA-N 1 0 212.303 1.429 10 0 BDAERO CCC(CC)NC(=O)CO[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000050211864 168377014 /nfs/dbraw/zinc/37/70/14/168377014.db2.gz FXPKVWJLVYKEQS-ZYHUDNBSSA-N 1 0 242.363 1.448 10 0 BDAERO CCC(CC)NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019427271 168383173 /nfs/dbraw/zinc/38/31/73/168383173.db2.gz NHVIWFLTEQALFT-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO Cc1cccnc1C[C@H](O)C1CC[NH2+]CC1 ZINC000167725133 361867555 /nfs/dbraw/zinc/86/75/55/361867555.db2.gz GONBHAFDZBBMFN-ZDUSSCGKSA-N 1 0 220.316 1.293 10 0 BDAERO CC[C@](C)(C[NH3+])N1C[C@H](C)OC[C@@H]1C ZINC000035783572 342759032 /nfs/dbraw/zinc/75/90/32/342759032.db2.gz XFRVCCYHDIGNSV-GARJFASQSA-N 1 0 200.326 1.223 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1nc2ccccc2o1 ZINC000145235435 342760632 /nfs/dbraw/zinc/76/06/32/342760632.db2.gz MZEKOAKWBBNMBO-XCBNKYQSSA-N 1 0 206.245 1.599 10 0 BDAERO O=C(NCc1ccccc1)O[C@H]1CC[NH2+]C1 ZINC000144635796 342765521 /nfs/dbraw/zinc/76/55/21/342765521.db2.gz IOKCWPRMENNRSS-NSHDSACASA-N 1 0 220.272 1.275 10 0 BDAERO O=C(NCc1ccccc1)O[C@@H]1CC[NH2+]C1 ZINC000144635599 342765533 /nfs/dbraw/zinc/76/55/33/342765533.db2.gz IOKCWPRMENNRSS-LLVKDONJSA-N 1 0 220.272 1.275 10 0 BDAERO C[NH2+]CCCc1c[n+]([O-])cc2ccccc21 ZINC000147668707 342778615 /nfs/dbraw/zinc/77/86/15/342778615.db2.gz JKHZSGNHQQRMPP-UHFFFAOYSA-N 1 0 216.284 1.625 10 0 BDAERO CCSCC[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C ZINC000309678438 342783069 /nfs/dbraw/zinc/78/30/69/342783069.db2.gz YSOXYHDKJSLUKP-PWSUYJOCSA-N 1 0 244.404 1.586 10 0 BDAERO Cc1[nH+]ccc(N[C@H]2CCOC[C@H]2O)c1Cl ZINC000624687904 342816598 /nfs/dbraw/zinc/81/65/98/342816598.db2.gz RCSPGKXETUQENB-WCBMZHEXSA-N 1 0 242.706 1.027 10 0 BDAERO Cc1nc([C@@H](O)C(C)(C)C[NH3+])cs1 ZINC000127056213 342820652 /nfs/dbraw/zinc/82/06/52/342820652.db2.gz FDGCMRAJAOMOAG-MRVPVSSYSA-N 1 0 200.307 1.470 10 0 BDAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2C[C@H]2CO)o1 ZINC000378802340 538974464 /nfs/dbraw/zinc/97/44/64/538974464.db2.gz UXBHIKNFZRWTPQ-FSZOTQKASA-N 1 0 221.300 1.873 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335622170 136239921 /nfs/dbraw/zinc/23/99/21/136239921.db2.gz BMCHWMKAGYYZNO-NEPJUHHUSA-N 1 0 234.347 1.258 10 0 BDAERO CSCc1noc([C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000071001811 361928603 /nfs/dbraw/zinc/92/86/03/361928603.db2.gz ARXQPRDPULXXKI-RQJHMYQMSA-N 1 0 213.306 1.527 10 0 BDAERO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCOC[C@H]2O)C1 ZINC000623767603 398291920 /nfs/dbraw/zinc/29/19/20/398291920.db2.gz YPBJCZDRVMHARR-MROQNXINSA-N 1 0 227.348 1.552 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccccn2)C1 ZINC000379979752 538983365 /nfs/dbraw/zinc/98/33/65/538983365.db2.gz GSHMIUWWXNBUNW-MNOVXSKESA-N 1 0 205.305 1.834 10 0 BDAERO CC(=O)N1CC[C@@H]([NH2+]CCCF)[C@@H](C)C1 ZINC000380031875 538984290 /nfs/dbraw/zinc/98/42/90/538984290.db2.gz QNKCJFJNUJABKR-GXSJLCMTSA-N 1 0 216.300 1.193 10 0 BDAERO CC[C@@H](C[NH3+])[C@@H](O)CC(C)(C)SC ZINC000385161542 539013215 /nfs/dbraw/zinc/01/32/15/539013215.db2.gz ABAUTCYZMHUFHA-IUCAKERBSA-N 1 0 205.367 1.864 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2ncccn2)C1 ZINC000389999742 539019893 /nfs/dbraw/zinc/01/98/93/539019893.db2.gz RYOSZFXKUHRLCQ-VHSXEESVSA-N 1 0 206.293 1.229 10 0 BDAERO CCOC(=O)c1cnc([C@@H]2CCC[NH2+]C2)o1 ZINC000107253500 539021114 /nfs/dbraw/zinc/02/11/14/539021114.db2.gz ZPXYTUNSWZWELO-MRVPVSSYSA-N 1 0 224.260 1.318 10 0 BDAERO O=C(C[C@@H]1CSCC[NH2+]1)C1CCOCC1 ZINC000226588367 342843176 /nfs/dbraw/zinc/84/31/76/342843176.db2.gz XWVKQZBTRXVTSJ-SNVBAGLBSA-N 1 0 229.345 1.077 10 0 BDAERO Cc1c(C[NH2+][C@@H](C)CO)ccc2c1OCCO2 ZINC000725264321 539026934 /nfs/dbraw/zinc/02/69/34/539026934.db2.gz ZSLJRYCGFLDYAQ-VIFPVBQESA-N 1 0 237.299 1.237 10 0 BDAERO O=C(C[C@@H]1[NH2+]CCc2occc21)NC1CC1 ZINC000709936126 539027690 /nfs/dbraw/zinc/02/76/90/539027690.db2.gz DGHLKMAFWZYRPO-JTQLQIEISA-N 1 0 220.272 1.135 10 0 BDAERO CC1(C)CN(C(=O)C2CCCC2)C[C@H]1[NH3+] ZINC000388119829 539014549 /nfs/dbraw/zinc/01/45/49/539014549.db2.gz WRVOIWWKLBLTMP-SNVBAGLBSA-N 1 0 210.321 1.372 10 0 BDAERO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH3+])c1 ZINC000022215585 178452392 /nfs/dbraw/zinc/45/23/92/178452392.db2.gz MFJTYRPYZUPLBM-NSHDSACASA-N 1 0 223.316 1.817 10 0 BDAERO Nc1nc(CN2CCCSCC2)cs1 ZINC000042443980 362000587 /nfs/dbraw/zinc/00/05/87/362000587.db2.gz ICAFUJUQYWDOAQ-UHFFFAOYSA-N 1 0 229.374 1.664 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2nc(Cl)cs2)C1 ZINC000165001614 342865799 /nfs/dbraw/zinc/86/57/99/342865799.db2.gz YNUCEGMDNFLJJS-LURJTMIESA-N 1 0 217.725 1.913 10 0 BDAERO C[N@@H+]1CCC[C@H](NOC(C)(C)C)CC1 ZINC000134495194 342860084 /nfs/dbraw/zinc/86/00/84/342860084.db2.gz VMZSIJZVWBRXKQ-JTQLQIEISA-N 1 0 200.326 1.790 10 0 BDAERO [NH3+]C1CC(Nc2nc(Cl)cs2)C1 ZINC000165284427 342896690 /nfs/dbraw/zinc/89/66/90/342896690.db2.gz NJNIKWYMVJTBSP-UHFFFAOYSA-N 1 0 203.698 1.698 10 0 BDAERO CCOC1CC2(C1)[NH2+]C[C@H](C)CS2 ZINC000233734452 342879440 /nfs/dbraw/zinc/87/94/40/342879440.db2.gz DDRNENZXKGLJCN-IDKOKCKLSA-N 1 0 201.335 1.854 10 0 BDAERO Cn1nncc1[C@@H]([NH3+])[C@]1(C)CCCS1 ZINC000165219056 342883616 /nfs/dbraw/zinc/88/36/16/342883616.db2.gz STTHFGSFNOIKME-BDAKNGLRSA-N 1 0 212.322 1.101 10 0 BDAERO C[NH2+]C[C@H]1CCCO[C@H]1c1cscn1 ZINC000127113303 342908923 /nfs/dbraw/zinc/90/89/23/342908923.db2.gz XZJBYZQPIZCPBZ-PSASIEDQSA-N 1 0 212.318 1.830 10 0 BDAERO C[N@H+](CCN1CCCCC1)[C@H]1CCC[C@H]1O ZINC000352660409 398323346 /nfs/dbraw/zinc/32/33/46/398323346.db2.gz RPJGGGTYSOMDNA-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO C[C@@H]1C[NH2+][C@@]2(CC[C@H](C)OC2)SC1 ZINC000401671221 342900616 /nfs/dbraw/zinc/90/06/16/342900616.db2.gz QXNIXUWKTQFWTD-UTLUCORTSA-N 1 0 201.335 1.854 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)CC[NH2+]C1CC1 ZINC000233378199 342901270 /nfs/dbraw/zinc/90/12/70/342901270.db2.gz NXMUOGPEPXDSFO-ONGXEEELSA-N 1 0 210.321 1.433 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000047864589 342922749 /nfs/dbraw/zinc/92/27/49/342922749.db2.gz KUUCBYIREZPFNU-MRVPVSSYSA-N 1 0 238.287 1.250 10 0 BDAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000218122439 398325645 /nfs/dbraw/zinc/32/56/45/398325645.db2.gz AQDSAXGZYTVWSR-UTLUCORTSA-N 1 0 219.350 1.185 10 0 BDAERO CC[C@@H]1CC[C@H](C[NH3+])[C@@H](S(C)(=O)=O)C1 ZINC000218122572 398325656 /nfs/dbraw/zinc/32/56/56/398325656.db2.gz AQDSAXGZYTVWSR-BBBLOLIVSA-N 1 0 219.350 1.185 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccncc1 ZINC000105780768 398324919 /nfs/dbraw/zinc/32/49/19/398324919.db2.gz SNHGFOVRNVVXCE-YPMHNXCESA-N 1 0 235.331 1.063 10 0 BDAERO CC(C)COC[C@@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000038096616 398336053 /nfs/dbraw/zinc/33/60/53/398336053.db2.gz JZEDZVQSPISIKI-STQMWFEESA-N 1 0 245.363 1.179 10 0 BDAERO c1cncc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000037988776 398335563 /nfs/dbraw/zinc/33/55/63/398335563.db2.gz LAFFWCTXXRTCHX-LBPRGKRZSA-N 1 0 206.289 1.740 10 0 BDAERO CC[C@H](C)[C@H](CN1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000381310392 398340625 /nfs/dbraw/zinc/34/06/25/398340625.db2.gz TXAMPSYYAWQIIX-IHRRRGAJSA-N 1 0 240.391 1.828 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccnc1 ZINC000175330546 346894511 /nfs/dbraw/zinc/89/45/11/346894511.db2.gz UWLVJWUWQZPAJN-CQSZACIVSA-N 1 0 233.359 1.998 10 0 BDAERO C[C@H]([NH3+])[C@H](C)S(=O)(=O)c1ccccc1 ZINC000061702720 398343694 /nfs/dbraw/zinc/34/36/94/398343694.db2.gz HTJIDDAYANTZAS-IUCAKERBSA-N 1 0 213.302 1.196 10 0 BDAERO C(CN1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCOC1 ZINC000300360671 398343824 /nfs/dbraw/zinc/34/38/24/398343824.db2.gz YDUFHWFZHHVAAL-STQMWFEESA-N 1 0 224.348 1.193 10 0 BDAERO [NH2+]=C1N[C@@H](CCOc2ccccc2)CO1 ZINC000117256653 342953934 /nfs/dbraw/zinc/95/39/34/342953934.db2.gz AHFFIHVHUVGESC-VIFPVBQESA-N 1 0 206.245 1.169 10 0 BDAERO O[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1ccccc1 ZINC000138643678 342980643 /nfs/dbraw/zinc/98/06/43/342980643.db2.gz COLQHXANZSDSJL-ZIAGYGMSSA-N 1 0 217.312 1.684 10 0 BDAERO Clc1csc(OC[C@H]2CCC[NH2+]2)n1 ZINC000165378322 342983992 /nfs/dbraw/zinc/98/39/92/342983992.db2.gz YRWYRGAYAJMIAY-ZCFIWIBFSA-N 1 0 218.709 1.927 10 0 BDAERO CC(C)c1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000020434132 342985350 /nfs/dbraw/zinc/98/53/50/342985350.db2.gz WFUKDNHRRPRSNH-OLZOCXBDSA-N 1 0 248.326 1.471 10 0 BDAERO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](C)C1 ZINC000260601649 349737867 /nfs/dbraw/zinc/73/78/67/349737867.db2.gz RBAKFKVPGWYULL-OLZOCXBDSA-N 1 0 233.311 1.895 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2ccco2)C[C@@H]1[NH3+] ZINC000235327803 343010348 /nfs/dbraw/zinc/01/03/48/343010348.db2.gz WZYZPDHEGWGZBQ-KOLCDFICSA-N 1 0 222.288 1.018 10 0 BDAERO O=C(OCc1ccccc1)C1CCC[N+]1=O ZINC000036467499 343015085 /nfs/dbraw/zinc/01/50/85/343015085.db2.gz CHUODIXGFZRWJV-UHFFFAOYSA-N 1 0 219.240 1.475 10 0 BDAERO CCc1cnc(CN[C@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400513640 529654108 /nfs/dbraw/zinc/65/41/08/529654108.db2.gz GBCGTUMWZPFNTD-ZJUUUORDSA-N 1 0 239.388 1.793 10 0 BDAERO C[C@H]1CN(C(=O)CC2=CCCCC2)C[C@H]1[NH3+] ZINC000235652010 343054762 /nfs/dbraw/zinc/05/47/62/343054762.db2.gz HPNZQDOTNIRWCR-CMPLNLGQSA-N 1 0 222.332 1.683 10 0 BDAERO CCOc1cc([C@@H]([NH3+])CO)ccc1OC ZINC000072198135 343069172 /nfs/dbraw/zinc/06/91/72/343069172.db2.gz HAYDEVYSDHZRMI-VIFPVBQESA-N 1 0 211.261 1.086 10 0 BDAERO CCCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246661278 362019159 /nfs/dbraw/zinc/01/91/59/362019159.db2.gz HDLBSUYORSGNOE-RYUDHWBXSA-N 1 0 242.363 1.090 10 0 BDAERO NC(=[NH2+])C1(c2nccc3c(N)cccc32)CC1 ZINC000584880485 343081071 /nfs/dbraw/zinc/08/10/71/343081071.db2.gz AIGGXPLPSNAREK-UHFFFAOYSA-N 1 0 226.283 1.785 10 0 BDAERO CC(C)OC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000584880543 343081217 /nfs/dbraw/zinc/08/12/17/343081217.db2.gz CZUXQSPPLIJLEW-SECBINFHSA-N 1 0 237.303 1.284 10 0 BDAERO C[C@@H]1[C@H](C)[NH2+]CCN1C/C(Cl)=C/Cl ZINC000306664963 362022625 /nfs/dbraw/zinc/02/26/25/362022625.db2.gz SPXRQBWQAPAQRO-DNQIDNJZSA-N 1 0 223.147 1.988 10 0 BDAERO C[N@H+](C[C@@H]1COCC[C@H]1O)C(C)(C)C ZINC000306668599 362026849 /nfs/dbraw/zinc/02/68/49/362026849.db2.gz FWWNOFVYANBUGP-NXEZZACHSA-N 1 0 201.310 1.114 10 0 BDAERO [NH3+][C@@H]1c2ccc(Br)cc2C[C@@H]1CO ZINC000127936269 343075589 /nfs/dbraw/zinc/07/55/89/343075589.db2.gz AQVATOMCWFABCU-XCBNKYQSSA-N 1 0 242.116 1.614 10 0 BDAERO CC(C)(C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000217417325 343077582 /nfs/dbraw/zinc/07/75/82/343077582.db2.gz BQHHYHKRYUBGHS-FGWVZKOKSA-N 1 0 224.348 1.679 10 0 BDAERO C1C[NH2+]C[C@H](N2CCCSCC2)C1 ZINC000043501458 343098828 /nfs/dbraw/zinc/09/88/28/343098828.db2.gz UUMGKVMOJMIBEC-SNVBAGLBSA-N 1 0 200.351 1.177 10 0 BDAERO C1C[NH2+]C[C@@H](N2CCCSCC2)C1 ZINC000043501457 343098876 /nfs/dbraw/zinc/09/88/76/343098876.db2.gz UUMGKVMOJMIBEC-JTQLQIEISA-N 1 0 200.351 1.177 10 0 BDAERO C[C@@H]1C=C(c2nc(C3CC3)no2)C[NH2+]C1 ZINC000013887309 343107130 /nfs/dbraw/zinc/10/71/30/343107130.db2.gz MGPLOJQFGKPHAX-SSDOTTSWSA-N 1 0 205.261 1.570 10 0 BDAERO Cc1ccc(C)c(S(=O)(=O)[C@H]2CC[NH2+]C2)c1 ZINC000071549645 178493153 /nfs/dbraw/zinc/49/31/53/178493153.db2.gz VTJZYJNONYWCHK-NSHDSACASA-N 1 0 239.340 1.439 10 0 BDAERO Cc1ccc(C)c(S(=O)(=O)CCC[NH3+])c1 ZINC000011896976 178493169 /nfs/dbraw/zinc/49/31/69/178493169.db2.gz TZQHVEFKJBHLAX-UHFFFAOYSA-N 1 0 227.329 1.426 10 0 BDAERO [NH3+][C@H](C[C@H]([NH3+])c1ccc(Cl)cc1)C(=O)[O-] ZINC000259452938 343121227 /nfs/dbraw/zinc/12/12/27/343121227.db2.gz OFFAAQFFKIRXMZ-DTWKUNHWSA-N 1 0 228.679 1.142 10 0 BDAERO [NH3+][C@@H](C[C@H]([NH3+])c1ccc(Cl)cc1)C(=O)[O-] ZINC000259452940 343121453 /nfs/dbraw/zinc/12/14/53/343121453.db2.gz OFFAAQFFKIRXMZ-IUCAKERBSA-N 1 0 228.679 1.142 10 0 BDAERO CC[C@H](C(N)=S)[NH+]1CCSCC1 ZINC000043539597 343132276 /nfs/dbraw/zinc/13/22/76/343132276.db2.gz DITRRMYSPDTMHA-SSDOTTSWSA-N 1 0 204.364 1.100 10 0 BDAERO C[C@@H]1[C@@H](C)CCCN1C(=O)C1([NH3+])CCOCC1 ZINC000127912215 343178939 /nfs/dbraw/zinc/17/89/39/343178939.db2.gz RSXULJNGIMNLCC-WDEREUQCSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1nnc(NC(=O)C[C@@H]2CCC[NH2+]C2)s1 ZINC000129910046 343179638 /nfs/dbraw/zinc/17/96/38/343179638.db2.gz GXPSDXJMWDXKQX-QMMMGPOBSA-N 1 0 240.332 1.175 10 0 BDAERO CC(C)Oc1cncc(N[C@@H](C)CCC[NH3+])n1 ZINC000094948088 343154528 /nfs/dbraw/zinc/15/45/28/343154528.db2.gz IYBHPKHGFIDVQA-JTQLQIEISA-N 1 0 238.335 1.803 10 0 BDAERO O=C1c2ccccc2CCN1[C@@H]1CCC[NH2+]C1 ZINC000096601869 343154990 /nfs/dbraw/zinc/15/49/90/343154990.db2.gz MNVMJKMGMVCIGM-GFCCVEGCSA-N 1 0 230.311 1.437 10 0 BDAERO CC(C)C[C@@H](C[NH3+])Nc1ccc2nccnc2n1 ZINC000094726440 343157145 /nfs/dbraw/zinc/15/71/45/343157145.db2.gz OYHBIBQIWMMIPK-JTQLQIEISA-N 1 0 245.330 1.810 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000123374401 343162355 /nfs/dbraw/zinc/16/23/55/343162355.db2.gz QOXXCIWRJNFVQN-MNOVXSKESA-N 1 0 242.388 1.340 10 0 BDAERO CC(C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000159573190 343202329 /nfs/dbraw/zinc/20/23/29/343202329.db2.gz FUNFXMYSPRXNRW-CHWSQXEVSA-N 1 0 238.375 1.881 10 0 BDAERO C[N@H+](CCCNC1COC1)C1CCCCC1 ZINC000082488128 136276797 /nfs/dbraw/zinc/27/67/97/136276797.db2.gz ZEJVJOLSDCIFBQ-UHFFFAOYSA-N 1 0 226.364 1.629 10 0 BDAERO CC[N@@H+]1CCC[C@H](C2=NO[C@H]3NCCCC=C23)C1 ZINC000038805193 343224118 /nfs/dbraw/zinc/22/41/18/343224118.db2.gz FBJLHTILZIGRLY-SMDDNHRTSA-N 1 0 249.358 1.740 10 0 BDAERO CC(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088022778 136283970 /nfs/dbraw/zinc/28/39/70/136283970.db2.gz JILKLFWQCHOHPS-CHWSQXEVSA-N 1 0 225.332 1.593 10 0 BDAERO CC(C)(C)OC(=O)NC[C@H]1[C@H]([NH3+])[C@H]2CC[C@@H]1C2 ZINC000032628502 343238977 /nfs/dbraw/zinc/23/89/77/343238977.db2.gz SUBACCMTYURKHO-LMLFDSFASA-N 1 0 240.347 1.885 10 0 BDAERO [NH3+]CCCc1cnn(Cc2cccc(F)c2)c1 ZINC000071193657 343242376 /nfs/dbraw/zinc/24/23/76/343242376.db2.gz OKFCPQRBTURRQK-UHFFFAOYSA-N 1 0 233.290 1.962 10 0 BDAERO CC[C@](O)(c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000238305391 343255413 /nfs/dbraw/zinc/25/54/13/343255413.db2.gz DIAVOCCGZXPLMO-STQMWFEESA-N 1 0 205.301 1.894 10 0 BDAERO C[C@H]([NH3+])Cn1ncc2c1-c1ccc(O)cc1C2 ZINC000146213918 343284007 /nfs/dbraw/zinc/28/40/07/343284007.db2.gz JYFKNHAVJPMZHI-QMMMGPOBSA-N 1 0 229.283 1.507 10 0 BDAERO [NH3+]C[C@@H]1COc2cc3ccccc3cc2O1 ZINC000238805254 343258618 /nfs/dbraw/zinc/25/86/18/343258618.db2.gz XXSTTWJUEZQAJD-LLVKDONJSA-N 1 0 215.252 1.938 10 0 BDAERO CC[C@@H]([NH3+])c1cn(Cc2nccn2C(C)C)nn1 ZINC000641051791 362161418 /nfs/dbraw/zinc/16/14/18/362161418.db2.gz RUKYZLOZAHQDAJ-SNVBAGLBSA-N 1 0 248.334 1.514 10 0 BDAERO CC(C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000070266271 343319196 /nfs/dbraw/zinc/31/91/96/343319196.db2.gz STDSPRBEFVDJSI-LLVKDONJSA-N 1 0 210.321 1.339 10 0 BDAERO COC(=O)[C@@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000038534715 343376419 /nfs/dbraw/zinc/37/64/19/343376419.db2.gz LFYAUPWNCDWLCJ-CYBMUJFWSA-N 1 0 233.311 1.867 10 0 BDAERO CCOc1ccc2c(c1)CC[C@@H]([NH3+])C2=O ZINC000039099331 343383059 /nfs/dbraw/zinc/38/30/59/343383059.db2.gz ZAIKULCELAXODW-LLVKDONJSA-N 1 0 205.257 1.542 10 0 BDAERO O=c1[nH]c2ccccc2cc1C1(O)CC[NH2+]CC1 ZINC000202110781 343395336 /nfs/dbraw/zinc/39/53/36/343395336.db2.gz QVVJHZYATPJGAD-UHFFFAOYSA-N 1 0 244.294 1.099 10 0 BDAERO CCc1csc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000177697614 346936204 /nfs/dbraw/zinc/93/62/04/346936204.db2.gz KIKWZDBJVGILKY-SNVBAGLBSA-N 1 0 240.372 1.877 10 0 BDAERO COc1cccc([C@@]23C[N@H+](C)C[C@H]2CC3=O)c1 ZINC000040511574 343406012 /nfs/dbraw/zinc/40/60/12/343406012.db2.gz VDOONFHZSIUWEA-RISCZKNCSA-N 1 0 231.295 1.467 10 0 BDAERO C[S@@](=O)(=NC#N)c1ccc(C[NH3+])cc1F ZINC000148940844 343412415 /nfs/dbraw/zinc/41/24/15/343412415.db2.gz FENPIUFTWVKXST-HNNXBMFYSA-N 1 0 227.264 1.222 10 0 BDAERO Cc1ccncc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335891486 136358835 /nfs/dbraw/zinc/35/88/35/136358835.db2.gz PDOFZXLSGYCCMM-FOSCPWQOSA-N 1 0 245.326 1.403 10 0 BDAERO CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)[NH2+]C)C1 ZINC000082848396 362229677 /nfs/dbraw/zinc/22/96/77/362229677.db2.gz QGYMPYJIHXPETK-GMTAPVOTSA-N 1 0 212.337 1.679 10 0 BDAERO Cc1nccc(CNCC[NH+]2CCC(C)CC2)n1 ZINC000054790828 136373043 /nfs/dbraw/zinc/37/30/43/136373043.db2.gz PEOFRCWIBRFNIR-UHFFFAOYSA-N 1 0 248.374 1.607 10 0 BDAERO Cc1nccc(C[NH2+]CCc2cccnc2)n1 ZINC000054790686 136373168 /nfs/dbraw/zinc/37/31/68/136373168.db2.gz HJFOHTJJIAULHV-UHFFFAOYSA-N 1 0 228.299 1.512 10 0 BDAERO CN1CCC([NH3+])(CC(=O)OC(C)(C)C)CC1 ZINC000258967517 136373993 /nfs/dbraw/zinc/37/39/93/136373993.db2.gz UIMYICVUEOTVQM-UHFFFAOYSA-N 1 0 228.336 1.141 10 0 BDAERO CC(=O)Nc1ccccc1OC1CC[NH2+]CC1 ZINC000043501229 343475833 /nfs/dbraw/zinc/47/58/33/343475833.db2.gz SAEPOPXJALEYKA-UHFFFAOYSA-N 1 0 234.299 1.776 10 0 BDAERO CC(C)C[C@H](CO)[NH2+]CC1(O)CCCC1 ZINC000083586996 343489770 /nfs/dbraw/zinc/48/97/70/343489770.db2.gz VSZHPWUKJKUBRT-LLVKDONJSA-N 1 0 215.337 1.288 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000044136069 343493154 /nfs/dbraw/zinc/49/31/54/343493154.db2.gz YIXXFPABOISYEV-OLZOCXBDSA-N 1 0 249.310 1.561 10 0 BDAERO C[C@H](CNc1ncns1)C[NH+]1CCCC1 ZINC000083668720 343494687 /nfs/dbraw/zinc/49/46/87/343494687.db2.gz DTGOJQYCJKIFNP-SECBINFHSA-N 1 0 226.349 1.682 10 0 BDAERO CC(C)[C@@H]([NH3+])CNc1nc(C2CC2)ns1 ZINC000083671011 343494858 /nfs/dbraw/zinc/49/48/58/343494858.db2.gz QSSFPSFLDMXRDP-QMMMGPOBSA-N 1 0 226.349 1.811 10 0 BDAERO CCc1nsc(NCC2CC[NH2+]CC2)n1 ZINC000083670195 343494899 /nfs/dbraw/zinc/49/48/99/343494899.db2.gz LAZWCLFBGVOGEA-UHFFFAOYSA-N 1 0 226.349 1.512 10 0 BDAERO CCOC(=O)CC[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000310441449 343495760 /nfs/dbraw/zinc/49/57/60/343495760.db2.gz SMHBPKZJHVVHCZ-NWDGAFQWSA-N 1 0 243.347 1.423 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC000219956229 343466483 /nfs/dbraw/zinc/46/64/83/343466483.db2.gz SGJQQQYVJHQPQH-UHFFFAOYSA-N 1 0 202.261 1.202 10 0 BDAERO C[NH2+][C@@H](CCCNC(=O)OC(C)(C)C)COC ZINC000234448816 343512115 /nfs/dbraw/zinc/51/21/15/343512115.db2.gz SOSAEWNZBQJERL-JTQLQIEISA-N 1 0 246.351 1.526 10 0 BDAERO [NH3+]CCN1CCCCC[C@H]1c1cn[nH]c1 ZINC000616625650 343525777 /nfs/dbraw/zinc/52/57/77/343525777.db2.gz SFKSGFNBWYFJHP-NSHDSACASA-N 1 0 208.309 1.286 10 0 BDAERO CC1(C)[C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC000379560902 343575221 /nfs/dbraw/zinc/57/52/21/343575221.db2.gz TUJAHFSBCRCAQC-UTUOFQBUSA-N 1 0 236.359 1.491 10 0 BDAERO COCCc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000165270044 343551868 /nfs/dbraw/zinc/55/18/68/343551868.db2.gz JEECCVMFMFLSPL-UHFFFAOYSA-N 1 0 234.343 1.675 10 0 BDAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000624236477 343582288 /nfs/dbraw/zinc/58/22/88/343582288.db2.gz DCZRWHPACRDKAK-XQHKEYJVSA-N 1 0 227.348 1.695 10 0 BDAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000624237998 343583731 /nfs/dbraw/zinc/58/37/31/343583731.db2.gz ILTGANVXUONIFR-RFGFWPKPSA-N 1 0 241.375 1.941 10 0 BDAERO Cn1cncc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712526811 537788818 /nfs/dbraw/zinc/78/88/18/537788818.db2.gz YJWNEVJYSRPFRB-SNVBAGLBSA-N 1 0 219.313 1.717 10 0 BDAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC[C@H]1O)CC2 ZINC000624236206 343581356 /nfs/dbraw/zinc/58/13/56/343581356.db2.gz YDOCLWNGIVCISB-QLFBSQMISA-N 1 0 247.338 1.722 10 0 BDAERO Cn1cncc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712526806 537790582 /nfs/dbraw/zinc/79/05/82/537790582.db2.gz YJWNEVJYSRPFRB-JTQLQIEISA-N 1 0 219.313 1.717 10 0 BDAERO C[NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000052395805 343600796 /nfs/dbraw/zinc/60/07/96/343600796.db2.gz VTRTXPYNLJNNJI-VIFPVBQESA-N 1 0 229.283 1.781 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000227579090 537794488 /nfs/dbraw/zinc/79/44/88/537794488.db2.gz UWQZUTKFMPJPSW-GARJFASQSA-N 1 0 212.337 1.522 10 0 BDAERO CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000308800565 259367739 /nfs/dbraw/zinc/36/77/39/259367739.db2.gz MKAYKXGINOENTQ-QWRGUYRKSA-N 1 0 215.337 1.098 10 0 BDAERO CCc1nc(CC[NH2+]CC(C)(C)C)no1 ZINC000309062872 349829906 /nfs/dbraw/zinc/82/99/06/349829906.db2.gz XRNWDNDFFMVPAX-UHFFFAOYSA-N 1 0 211.309 1.810 10 0 BDAERO C[C@@H]1COC[C@H](CC(=O)c2ccco2)[NH2+]1 ZINC000124431271 537805631 /nfs/dbraw/zinc/80/56/31/537805631.db2.gz VHCIVBVPEPVIPR-BDAKNGLRSA-N 1 0 209.245 1.229 10 0 BDAERO C[C@@H]1COC[C@@H](CC(=O)C2CCCC2)[NH2+]1 ZINC000124437851 537805839 /nfs/dbraw/zinc/80/58/39/537805839.db2.gz QWMOVCMVSOTPNZ-MWLCHTKSSA-N 1 0 211.305 1.513 10 0 BDAERO Cc1cc(N)c(NC2=[NH+]CCN2)c(Cl)c1 ZINC000059956373 343714519 /nfs/dbraw/zinc/71/45/19/343714519.db2.gz NRCKJBFQSYDPSY-UHFFFAOYSA-N 1 0 224.695 1.602 10 0 BDAERO CSCC[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000380283349 343718863 /nfs/dbraw/zinc/71/88/63/343718863.db2.gz ZLHRTEMQMDNVAL-MWLCHTKSSA-N 1 0 230.377 1.196 10 0 BDAERO C[C@@H]1C[N@H+](CC(=O)C(C)(C)C)CCCO1 ZINC000061919756 343730553 /nfs/dbraw/zinc/73/05/53/343730553.db2.gz WPNRLZJTMYAHMN-SNVBAGLBSA-N 1 0 213.321 1.712 10 0 BDAERO CC[C@@H](C)[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000089678139 343748435 /nfs/dbraw/zinc/74/84/35/343748435.db2.gz NHPBWZMZWXDQLK-PWSUYJOCSA-N 1 0 212.337 1.238 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000109497286 343786330 /nfs/dbraw/zinc/78/63/30/343786330.db2.gz VJNNMPFPAOHOGI-UWVGGRQHSA-N 1 0 244.298 1.987 10 0 BDAERO CNc1cc(N(C)C2CC[NH+](C)CC2)ncn1 ZINC000127814969 343787278 /nfs/dbraw/zinc/78/72/78/343787278.db2.gz HIKSLTMYMJRQPL-UHFFFAOYSA-N 1 0 235.335 1.049 10 0 BDAERO CC(C)(C)c1cc(N2CC[C@@H]([NH3+])C2)n[nH]1 ZINC000129668890 343788162 /nfs/dbraw/zinc/78/81/62/343788162.db2.gz OSIBIOOFZBADFG-MRVPVSSYSA-N 1 0 208.309 1.245 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCC(C(F)F)CC1 ZINC000307881522 343790177 /nfs/dbraw/zinc/79/01/77/343790177.db2.gz FLSQDSVNOBKUGO-SECBINFHSA-N 1 0 232.274 1.100 10 0 BDAERO CC[C@@H](C(=O)[O-])[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000191428114 343791519 /nfs/dbraw/zinc/79/15/19/343791519.db2.gz QFZZMNVOHQEXAB-LBPRGKRZSA-N 1 0 240.347 1.410 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1C[NH2+]C2 ZINC000199553486 343792066 /nfs/dbraw/zinc/79/20/66/343792066.db2.gz SRIHMDKPBXOVAD-CABZTGNLSA-N 1 0 226.320 1.511 10 0 BDAERO c1ccc2c(c1)CC(OC1CC[NH2+]CC1)C2 ZINC000215544184 343792696 /nfs/dbraw/zinc/79/26/96/343792696.db2.gz SABXIXXVFPRXLD-UHFFFAOYSA-N 1 0 217.312 1.922 10 0 BDAERO CC(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2N)cc1 ZINC000220990603 343793055 /nfs/dbraw/zinc/79/30/55/343793055.db2.gz BKZHCYURBXZCMY-STQMWFEESA-N 1 0 204.317 1.824 10 0 BDAERO C[NH2+]CCc1cn(C)nc1-c1ccccc1 ZINC000221049601 343793155 /nfs/dbraw/zinc/79/31/55/343793155.db2.gz QTLDDNSGQMRBJP-UHFFFAOYSA-N 1 0 215.300 1.849 10 0 BDAERO [NH3+]C1CCN(c2cc(-c3ccco3)[nH]n2)CC1 ZINC000229642689 343793763 /nfs/dbraw/zinc/79/37/63/343793763.db2.gz IZOURBVBEUIWPC-UHFFFAOYSA-N 1 0 232.287 1.597 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCC(CF)CC1 ZINC000409426431 343798025 /nfs/dbraw/zinc/79/80/25/343798025.db2.gz IAXFHSHDDXZUED-NSHDSACASA-N 1 0 228.311 1.194 10 0 BDAERO C[NH2+]Cc1nc2cccnc2n1CC1CC1 ZINC000409422894 343814269 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/nfs/dbraw/zinc/85/39/28/343853928.db2.gz RJHQYVOPQYGXJK-UHFFFAOYSA-N 1 0 236.344 1.366 10 0 BDAERO Cc1[nH]nc(-c2ccncc2)c1CCC(N)=[NH2+] ZINC000409440740 343854316 /nfs/dbraw/zinc/85/43/16/343854316.db2.gz OPUBGCLZLLINIQ-UHFFFAOYSA-N 1 0 229.287 1.649 10 0 BDAERO COCc1ccc2c(c1)N(CC[NH3+])CC2 ZINC000409433962 343830942 /nfs/dbraw/zinc/83/09/42/343830942.db2.gz NUWFRWGLAZTJQI-UHFFFAOYSA-N 1 0 206.289 1.154 10 0 BDAERO CC[N@H+]1C[C@H]2[C@@H](CN[C@@H]2C(F)(F)F)C1 ZINC000409433261 343831920 /nfs/dbraw/zinc/83/19/20/343831920.db2.gz ZMTLRDGESXQIHL-FXQIFTODSA-N 1 0 208.227 1.088 10 0 BDAERO CC[N@@H+]1C[C@@H]2CN[C@@H](C(F)(F)F)[C@@H]2C1 ZINC000409433264 343831960 /nfs/dbraw/zinc/83/19/60/343831960.db2.gz ZMTLRDGESXQIHL-XLPZGREQSA-N 1 0 208.227 1.088 10 0 BDAERO C[NH2+]CC(=O)N(C1CC1)C1CCSCC1 ZINC000409435607 343834463 /nfs/dbraw/zinc/83/44/63/343834463.db2.gz VRZNJQXPQSCODC-UHFFFAOYSA-N 1 0 228.361 1.092 10 0 BDAERO Cc1ccc2c(c1)CN(C(=O)CC[NH3+])CCO2 ZINC000409434677 343834812 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FZHCOEAJBAEYJQ-UHFFFAOYSA-N 1 0 207.302 1.650 10 0 BDAERO CC(C)n1nc(-c2ccccn2)cc1C[NH3+] ZINC000409443261 343866513 /nfs/dbraw/zinc/86/65/13/343866513.db2.gz KARXSTQWSDLBKY-UHFFFAOYSA-N 1 0 216.288 1.985 10 0 BDAERO c1cc2cccn(C[C@H]3CCC[NH2+]C3)c-2n1 ZINC000409443482 343867298 /nfs/dbraw/zinc/86/72/98/343867298.db2.gz NRQSLRCHRKWZOE-NSHDSACASA-N 1 0 215.300 1.988 10 0 BDAERO CO[C@@H](C[NH3+])c1nc2cccnc2s1 ZINC000227296460 343871562 /nfs/dbraw/zinc/87/15/62/343871562.db2.gz YIDNHSLZZQLURB-ZETCQYMHSA-N 1 0 209.274 1.338 10 0 BDAERO C/C=C/C=C/C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000232233570 343885827 /nfs/dbraw/zinc/88/58/27/343885827.db2.gz ISUSXIIMFMYBTD-VLIWCEOLSA-N 1 0 208.305 1.377 10 0 BDAERO C[C@H](C[N@H+]1C[C@@H](C)S[C@@H](C)C1)C(N)=S ZINC000069908514 343944461 /nfs/dbraw/zinc/94/44/61/343944461.db2.gz NFPSXAHAUDDYIM-HLTSFMKQSA-N 1 0 232.418 1.734 10 0 BDAERO CC[C@](O)(C[NH3+])c1ccc(F)c(F)c1 ZINC000036157360 343944646 /nfs/dbraw/zinc/94/46/46/343944646.db2.gz DGAHQUOJLQHCRX-JTQLQIEISA-N 1 0 201.216 1.521 10 0 BDAERO CCC(C)(C)CC[NH2+]CC1(O)CCOCC1 ZINC000634725016 343945622 /nfs/dbraw/zinc/94/56/22/343945622.db2.gz DLXLFVDHUIFOCQ-UHFFFAOYSA-N 1 0 229.364 1.944 10 0 BDAERO CCN(C(=O)OC(C)(C)C)C(C)(C)C[NH3+] ZINC000070626978 343953314 /nfs/dbraw/zinc/95/33/14/343953314.db2.gz NQWASTUIVZLKIU-UHFFFAOYSA-N 1 0 216.325 1.981 10 0 BDAERO Nc1cc[nH+]cc1C[C@H]1CCCC(=O)C1 ZINC000070737997 343954909 /nfs/dbraw/zinc/95/49/09/343954909.db2.gz XKHAEJBUISPARM-SECBINFHSA-N 1 0 204.273 1.966 10 0 BDAERO COCCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082944317 133510852 /nfs/dbraw/zinc/51/08/52/133510852.db2.gz HLNVMXFZFWMPEV-SRVKXCTJSA-N 1 0 227.348 1.816 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000092785421 343960898 /nfs/dbraw/zinc/96/08/98/343960898.db2.gz CYIMVBJWKGEEEZ-LLVKDONJSA-N 1 0 209.293 1.147 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)CC1(C)COC1 ZINC000625792279 344075947 /nfs/dbraw/zinc/07/59/47/344075947.db2.gz TXTVAZZLUDLLTA-NEPJUHHUSA-N 1 0 227.348 1.506 10 0 BDAERO CC[C@H](C)[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634745502 344169028 /nfs/dbraw/zinc/16/90/28/344169028.db2.gz KBHQULNHWHVEOS-OPDFLTKYSA-N 1 0 238.375 1.927 10 0 BDAERO COC1(C[N@@H+]2CCC(=O)[C@H](C)C2)CCC1 ZINC000234653211 344172704 /nfs/dbraw/zinc/17/27/04/344172704.db2.gz KTCCGOABOPIZDR-SNVBAGLBSA-N 1 0 211.305 1.466 10 0 BDAERO CCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616570931 344178837 /nfs/dbraw/zinc/17/88/37/344178837.db2.gz IDRJHMSYEGZCOR-JGVFFNPUSA-N 1 0 238.253 1.443 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCCC(F)(F)CC1 ZINC000634737013 344134433 /nfs/dbraw/zinc/13/44/33/344134433.db2.gz GQHGBRBBQFQTJQ-VIFPVBQESA-N 1 0 232.274 1.244 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCC1 ZINC000161578668 133514737 /nfs/dbraw/zinc/51/47/37/133514737.db2.gz RNMXOHANXRVQFY-JQWIXIFHSA-N 1 0 212.337 1.095 10 0 BDAERO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CCC1 ZINC000634755154 344212422 /nfs/dbraw/zinc/21/24/22/344212422.db2.gz SMEGYOASOXOAAT-GWCFXTLKSA-N 1 0 222.332 1.387 10 0 BDAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1cccnc1 ZINC000054627068 259373909 /nfs/dbraw/zinc/37/39/09/259373909.db2.gz MVASPAUZHDAEOR-FGWVZKOKSA-N 1 0 203.289 1.540 10 0 BDAERO N#Cc1ccc([S@](=O)CC2CC[NH2+]CC2)nc1 ZINC000218515771 344239850 /nfs/dbraw/zinc/23/98/50/344239850.db2.gz DPYMQZSFUWARRG-QGZVFWFLSA-N 1 0 249.339 1.060 10 0 BDAERO CC1(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000616572198 344182513 /nfs/dbraw/zinc/18/25/13/344182513.db2.gz PSOXKFBJOWUAQE-UWVGGRQHSA-N 1 0 208.305 1.139 10 0 BDAERO COCCC(=O)N[C@@H](C)c1cccc(C[NH3+])c1 ZINC000616572344 344183827 /nfs/dbraw/zinc/18/38/27/344183827.db2.gz LFLJYHMFVMLGRG-JTQLQIEISA-N 1 0 236.315 1.359 10 0 BDAERO CC[C@H](C)n1nnnc1[C@@H]1CCCC[NH2+]1 ZINC000616574754 344188996 /nfs/dbraw/zinc/18/89/96/344188996.db2.gz XLUGGLAEEZXTOX-IUCAKERBSA-N 1 0 209.297 1.459 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634761708 344251853 /nfs/dbraw/zinc/25/18/53/344251853.db2.gz HIUUZEXKKJTLBI-FMSGJZPZSA-N 1 0 236.359 1.681 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@]2(C)CCCS2)CCN1 ZINC000227402214 344254397 /nfs/dbraw/zinc/25/43/97/344254397.db2.gz DKTPZMUCRYGAQD-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO CC(C)C[C@@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770175 344285185 /nfs/dbraw/zinc/28/51/85/344285185.db2.gz BORWREBSQYXAMN-DYEKYZERSA-N 1 0 238.375 1.927 10 0 BDAERO CCc1nc(C)cc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000384989269 344286310 /nfs/dbraw/zinc/28/63/10/344286310.db2.gz LVVVOSHHQHOYJV-ZJUUUORDSA-N 1 0 220.320 1.273 10 0 BDAERO Cc1ccc(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)o1 ZINC000634772472 344288380 /nfs/dbraw/zinc/28/83/80/344288380.db2.gz MUFMOUJXPAJHLC-FZMZJTMJSA-N 1 0 248.326 1.594 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1nc(C2CC2)ns1 ZINC000384991745 344288809 /nfs/dbraw/zinc/28/88/09/344288809.db2.gz MQJXBFMJYLMEIY-XPUUQOCRSA-N 1 0 224.333 1.341 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1cnc2ccccc2n1 ZINC000385157131 344355494 /nfs/dbraw/zinc/35/54/94/344355494.db2.gz AJBGSCVGYJCGRO-UWVGGRQHSA-N 1 0 228.299 1.556 10 0 BDAERO CO[C@H](C)c1nsc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385160282 344356872 /nfs/dbraw/zinc/35/68/72/344356872.db2.gz BGRIKOOUXQXSPE-RNJXMRFFSA-N 1 0 242.348 1.171 10 0 BDAERO CC1(C)[C@@H]([NH3+])CCN1Cc1ccccc1 ZINC000084237368 344367856 /nfs/dbraw/zinc/36/78/56/344367856.db2.gz GUPZVIPUAXBIPV-LBPRGKRZSA-N 1 0 204.317 1.998 10 0 BDAERO CCc1cc(CC)nc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385252805 344386474 /nfs/dbraw/zinc/38/64/74/344386474.db2.gz OGTBRPNNULBJGY-VHSXEESVSA-N 1 0 234.347 1.527 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000380721108 344434848 /nfs/dbraw/zinc/43/48/48/344434848.db2.gz FZVKWDCAPAQLIL-UTUOFQBUSA-N 1 0 224.348 1.633 10 0 BDAERO COC(=O)c1ccc(N[C@@H]2CC[NH2+][C@H]2C)nc1C ZINC000600956433 344401717 /nfs/dbraw/zinc/40/17/17/344401717.db2.gz DMWLPRMKUWNVBE-GXSJLCMTSA-N 1 0 249.314 1.339 10 0 BDAERO C[NH+](C)[C@@]1(C)c2ccccc2CC[C@H]1O ZINC000028767302 344414641 /nfs/dbraw/zinc/41/46/41/344414641.db2.gz REJRDHJDTBJXPI-OLZOCXBDSA-N 1 0 205.301 1.771 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CC(C)(C)CC[C@H]1[NH3+] ZINC000081981771 537846631 /nfs/dbraw/zinc/84/66/31/537846631.db2.gz SIKRINWNVOTJAT-ZJUUUORDSA-N 1 0 233.377 1.716 10 0 BDAERO CC(C)c1nccc(N(C)[C@H](C)C[NH3+])n1 ZINC000107207212 344480801 /nfs/dbraw/zinc/48/08/01/344480801.db2.gz PGVMSGVUPHDXPT-SECBINFHSA-N 1 0 208.309 1.383 10 0 BDAERO Nc1cccc(CC[NH+]2CCC(O)CC2)c1 ZINC000084901985 344483435 /nfs/dbraw/zinc/48/34/35/344483435.db2.gz LOZPTLRYYBLRCM-UHFFFAOYSA-N 1 0 220.316 1.268 10 0 BDAERO CC1(C)CCSC[C@H]1N1CC[C@@H]([NH3+])C1 ZINC000227543648 344492379 /nfs/dbraw/zinc/49/23/79/344492379.db2.gz FNACVLYOTHMSAD-NXEZZACHSA-N 1 0 214.378 1.551 10 0 BDAERO O=C(C1CC[NH2+]CC1)N1CC2CCC1CC2 ZINC000381372527 344498953 /nfs/dbraw/zinc/49/89/53/344498953.db2.gz HZRKNFBAMLHXTQ-UHFFFAOYSA-N 1 0 222.332 1.387 10 0 BDAERO C([NH2+][C@H]1CCCSC1)[C@@H]1CCOCO1 ZINC000220718423 344570854 /nfs/dbraw/zinc/57/08/54/344570854.db2.gz UKYUILQXIHNMKA-UWVGGRQHSA-N 1 0 217.334 1.235 10 0 BDAERO CO[C@H]1CCC[N@H+](C[C@@H]2CCCC2=O)C1 ZINC000230342540 344527039 /nfs/dbraw/zinc/52/70/39/344527039.db2.gz ZNFHBFKKFWUSAY-QWRGUYRKSA-N 1 0 211.305 1.466 10 0 BDAERO CCC[C@H]1CN([C@@H]2CCSC2)CC[NH2+]1 ZINC000220507806 344542602 /nfs/dbraw/zinc/54/26/02/344542602.db2.gz DGHSFDPIBIZTLQ-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H]1C[C@@](O)(Cc2cccs2)C[N@@H+]1C ZINC000127588960 344568838 /nfs/dbraw/zinc/56/88/38/344568838.db2.gz JJEYZARZEONTQY-MWLCHTKSSA-N 1 0 211.330 1.746 10 0 BDAERO CO[C@H]1CCC[C@]2(C1)[NH2+]CCc1nc[nH]c12 ZINC000400402001 537853290 /nfs/dbraw/zinc/85/32/90/537853290.db2.gz UANMQVBUEAIFIN-JOYOIKCWSA-N 1 0 221.304 1.340 10 0 BDAERO [NH3+]Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000396113121 344605980 /nfs/dbraw/zinc/60/59/80/344605980.db2.gz MULJYRVAKRMNRH-UHFFFAOYSA-N 1 0 236.149 1.952 10 0 BDAERO CC1(C)C[C@@H]1[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000400377089 537853931 /nfs/dbraw/zinc/85/39/31/537853931.db2.gz JFQONVHFUFXZPI-JOYOIKCWSA-N 1 0 205.305 1.817 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000626005146 344666921 /nfs/dbraw/zinc/66/69/21/344666921.db2.gz XAAQUUPJOGWYRH-MNOVXSKESA-N 1 0 219.300 1.208 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2cccnn2)C1 ZINC000052831012 344669587 /nfs/dbraw/zinc/66/95/87/344669587.db2.gz MUHUYUAQJTWWNT-JTQLQIEISA-N 1 0 206.293 1.373 10 0 BDAERO O[C@@]1(c2nc(Br)cs2)CC[NH2+]C1 ZINC000127716654 344621991 /nfs/dbraw/zinc/62/19/91/344621991.db2.gz QUPMTQVMNZBNNU-ZETCQYMHSA-N 1 0 249.133 1.087 10 0 BDAERO [NH3+][C@H]1CN(c2cccc(Cl)c2Cl)C1=O ZINC000227619718 344645749 /nfs/dbraw/zinc/64/57/49/344645749.db2.gz OOGRHWSPWQEKBI-LURJTMIESA-N 1 0 231.082 1.667 10 0 BDAERO Cn1ncnc1S[C@@H]1CCCC[C@@H]1[NH3+] ZINC000128090092 344734619 /nfs/dbraw/zinc/73/46/19/344734619.db2.gz MVXAGYDEXQPULH-JGVFFNPUSA-N 1 0 212.322 1.177 10 0 BDAERO Cc1nn(-c2cc[nH+]c(N)c2)cc1Cl ZINC000227667987 344735247 /nfs/dbraw/zinc/73/52/47/344735247.db2.gz KDQXEBSGITXAFE-UHFFFAOYSA-N 1 0 208.652 1.811 10 0 BDAERO C[C@H]1C[C@@H](N2CN=NC2=S)CC[N@@H+]1C ZINC000158580821 344683184 /nfs/dbraw/zinc/68/31/84/344683184.db2.gz JQZBSBVJJJJRAB-YUMQZZPRSA-N 1 0 212.322 1.222 10 0 BDAERO C[C@@H](C(N)=S)[N@H+](CCO)Cc1ccccc1 ZINC000050514394 344704088 /nfs/dbraw/zinc/70/40/88/344704088.db2.gz UGNBPXQPVBDTAM-JTQLQIEISA-N 1 0 238.356 1.156 10 0 BDAERO [NH3+][C@H]1CCC2(C[C@H]1OC1CCC1)OCCO2 ZINC000050520169 344705793 /nfs/dbraw/zinc/70/57/93/344705793.db2.gz FXYOOEFEDQLQCC-WDEREUQCSA-N 1 0 227.304 1.178 10 0 BDAERO Cc1nn(-c2nc(C[NH3+])co2)cc1Cl ZINC000166197962 344780096 /nfs/dbraw/zinc/78/00/96/344780096.db2.gz VFCSLROBWPPUPC-UHFFFAOYSA-N 1 0 212.640 1.281 10 0 BDAERO CO[C@H](C(C)C)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400423500 537856715 /nfs/dbraw/zinc/85/67/15/537856715.db2.gz ZBCMXUQEYGCXOC-WDEREUQCSA-N 1 0 209.293 1.268 10 0 BDAERO COC(C)(C)C[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000400437044 537856973 /nfs/dbraw/zinc/85/69/73/537856973.db2.gz DMGKGPZTWUGANX-GFCCVEGCSA-N 1 0 223.320 1.586 10 0 BDAERO CCOC(=O)CC1(O)CC(C)(C)[NH2+]C(C)(C)C1 ZINC000675052740 537859429 /nfs/dbraw/zinc/85/94/29/537859429.db2.gz IKVNPWZGYRLQCB-UHFFFAOYSA-N 1 0 243.347 1.611 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1nccc2occc21 ZINC000336521398 347076984 /nfs/dbraw/zinc/07/69/84/347076984.db2.gz PXENNNFSNJGAGT-HTQZYQBOSA-N 1 0 205.261 1.975 10 0 BDAERO Brc1ccc(COC2C[NH2+]C2)o1 ZINC000062809875 347082163 /nfs/dbraw/zinc/08/21/63/347082163.db2.gz VKSVVVVIIWMJJC-UHFFFAOYSA-N 1 0 232.077 1.531 10 0 BDAERO Cc1nc(NC[C@@H](C)[NH3+])ccc1Br ZINC000235179396 344836101 /nfs/dbraw/zinc/83/61/01/344836101.db2.gz OWPUZMJEUPBGLT-ZCFIWIBFSA-N 1 0 244.136 1.912 10 0 BDAERO C[C@@H](O)CNc1c(N)c[nH+]cc1Br ZINC000235223175 344849184 /nfs/dbraw/zinc/84/91/84/344849184.db2.gz WEPUMUPLRTVZNT-RXMQYKEDSA-N 1 0 246.108 1.219 10 0 BDAERO CS[C@H]1CC[C@@H]([NH+]2CCC(=O)CC2)C1 ZINC000235243955 344856136 /nfs/dbraw/zinc/85/61/36/344856136.db2.gz GIWQZJIZYUDASM-KOLCDFICSA-N 1 0 213.346 1.935 10 0 BDAERO Cc1cnc(CN2CC[NH2+]C[C@H]2C)s1 ZINC000235276937 344870677 /nfs/dbraw/zinc/87/06/77/344870677.db2.gz VQQYDHFOWGLVCL-MRVPVSSYSA-N 1 0 211.334 1.245 10 0 BDAERO C[C@@H]1CSC(NC[C@@H]2CCO[C@@H]2C)=[NH+]1 ZINC000235350909 344893322 /nfs/dbraw/zinc/89/33/22/344893322.db2.gz KHNUPURZKCKZTE-HLTSFMKQSA-N 1 0 214.334 1.492 10 0 BDAERO C[C@H](C1CCOCC1)[NH+]1CCC(=O)CC1 ZINC000235401135 344904165 /nfs/dbraw/zinc/90/41/65/344904165.db2.gz JGILSHUWVSRUNM-SNVBAGLBSA-N 1 0 211.305 1.466 10 0 BDAERO [NH3+]C[C@]1(C[C@@H]2CCCO2)CCCS1 ZINC000166488427 344907598 /nfs/dbraw/zinc/90/75/98/344907598.db2.gz ROPZFLKJOXJTMW-VHSXEESVSA-N 1 0 201.335 1.780 10 0 BDAERO C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000235427873 344909471 /nfs/dbraw/zinc/90/94/71/344909471.db2.gz OGWRLRSDWWEUNS-GARJFASQSA-N 1 0 215.362 1.897 10 0 BDAERO [NH3+]C[C@H](NCc1ccccc1)[C@@H]1CCSC1 ZINC000224531566 344938210 /nfs/dbraw/zinc/93/82/10/344938210.db2.gz MVNHYKAPQZYFHR-OLZOCXBDSA-N 1 0 236.384 1.857 10 0 BDAERO CC(C)(C)OC(=O)N1CC(F)(F)[C@H]2C[NH2+]C[C@@H]21 ZINC000238172370 344981687 /nfs/dbraw/zinc/98/16/87/344981687.db2.gz PQXYSUUKESSQRK-YUMQZZPRSA-N 1 0 248.273 1.460 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(F)cc1Br ZINC000044234869 344987687 /nfs/dbraw/zinc/98/76/87/344987687.db2.gz LTHGOFHUOISGHS-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO [NH3+][C@H](CCO)c1c(F)cc(F)cc1F ZINC000044233007 344988426 /nfs/dbraw/zinc/98/84/26/344988426.db2.gz MQKCHQRNQCXDPH-MRVPVSSYSA-N 1 0 205.179 1.486 10 0 BDAERO C[NH2+][C@@H]1CCCN([C@H](C)c2ccc[nH]2)C1 ZINC000248023276 345015175 /nfs/dbraw/zinc/01/51/75/345015175.db2.gz JYNWAUUYSQLSGC-GHMZBOCLSA-N 1 0 207.321 1.760 10 0 BDAERO Cn1cccc1[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000011848716 345031256 /nfs/dbraw/zinc/03/12/56/345031256.db2.gz YBGJNOLVOKINOF-GFCCVEGCSA-N 1 0 216.284 1.973 10 0 BDAERO Cc1ccc(O[C@@H]2COCC[C@H]2[NH3+])c(C)c1 ZINC000036305654 178818867 /nfs/dbraw/zinc/81/88/67/178818867.db2.gz DXDNOUKJZBQKOF-DGCLKSJQSA-N 1 0 221.300 1.798 10 0 BDAERO Cc1ccc(OC[C@H]2CCC[NH2+]C2)nn1 ZINC000051883224 178814782 /nfs/dbraw/zinc/81/47/82/178814782.db2.gz JTBHPOGDSBYXIJ-JTQLQIEISA-N 1 0 207.277 1.163 10 0 BDAERO Cc1cc(Cl)ccc1[C@@]1(O)CC[NH2+]C1 ZINC000238513223 345065347 /nfs/dbraw/zinc/06/53/47/345065347.db2.gz CDSMPWPMBQKFDH-LLVKDONJSA-N 1 0 211.692 1.829 10 0 BDAERO CCOc1c(F)cc([C@H](N)C[NH3+])cc1Cl ZINC000044475064 345090924 /nfs/dbraw/zinc/09/09/24/345090924.db2.gz KRVCNQLWQHLZBG-SECBINFHSA-N 1 0 232.686 1.836 10 0 BDAERO Clc1cccnc1NC[C@H]1C[NH2+]CCCO1 ZINC000390217929 259382536 /nfs/dbraw/zinc/38/25/36/259382536.db2.gz MTKCIKJAHWGATC-SECBINFHSA-N 1 0 241.722 1.525 10 0 BDAERO [NH3+]Cc1cc(F)c(OC(F)(F)F)cn1 ZINC000238659825 345103560 /nfs/dbraw/zinc/10/35/60/345103560.db2.gz XGNHFTODBQQSRE-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO [NH3+]Cc1cc(O)ccc1OC(F)(F)F ZINC000238673400 345105995 /nfs/dbraw/zinc/10/59/95/345105995.db2.gz BQWBGZDYWKARNA-UHFFFAOYSA-N 1 0 207.151 1.750 10 0 BDAERO [NH3+]Cc1ccc(OC(F)(F)F)c(F)n1 ZINC000238682426 345108577 /nfs/dbraw/zinc/10/85/77/345108577.db2.gz IDNQTHBQILWRAP-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO Cc1ccc([C@@H](C)N2C[C@@H]([NH3+])CC2=O)cc1 ZINC000049559899 178834070 /nfs/dbraw/zinc/83/40/70/178834070.db2.gz AVHGBHDFOKEGDD-PWSUYJOCSA-N 1 0 218.300 1.616 10 0 BDAERO CNc1cc(N[C@H](C)COC)nc(C2CC2)[nH+]1 ZINC000126905405 345145811 /nfs/dbraw/zinc/14/58/11/345145811.db2.gz XQGLRBPRZTZVSM-MRVPVSSYSA-N 1 0 236.319 1.843 10 0 BDAERO c1ncn(C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000156400828 345156073 /nfs/dbraw/zinc/15/60/73/345156073.db2.gz VLJFEPRYPLDEFF-LBPRGKRZSA-N 1 0 220.320 1.400 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccon2)C[C@H](C)O1 ZINC000634979656 345159822 /nfs/dbraw/zinc/15/98/22/345159822.db2.gz KYDNEAQLSILIIW-JGPRNRPPSA-N 1 0 224.304 1.968 10 0 BDAERO Cc1cc([C@]2(O)C[C@H](C)[N@@H+](C)C2)cs1 ZINC000127604243 345202964 /nfs/dbraw/zinc/20/29/64/345202964.db2.gz JTTHAFPQYLSRGR-KWQFWETISA-N 1 0 211.330 1.968 10 0 BDAERO Cn1cnnc1S[C@H]1CCCC[NH2+]C1 ZINC000132126419 345318306 /nfs/dbraw/zinc/31/83/06/345318306.db2.gz RIWFPIQCBHEQSM-QMMMGPOBSA-N 1 0 212.322 1.049 10 0 BDAERO CC(C)([NH3+])Cc1nc(C(F)(F)F)no1 ZINC000130292476 345271746 /nfs/dbraw/zinc/27/17/46/345271746.db2.gz OTDOVZLFWLUKPP-UHFFFAOYSA-N 1 0 209.171 1.368 10 0 BDAERO C[C@H]1CN2C(=[NH+][C@H](C)C[C@@H]2C(F)F)N1 ZINC000720978136 537895555 /nfs/dbraw/zinc/89/55/55/537895555.db2.gz QKODRPPRHXYVHA-DSYKOEDSSA-N 1 0 203.236 1.062 10 0 BDAERO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000381332721 345359854 /nfs/dbraw/zinc/35/98/54/345359854.db2.gz UNKZBBRZRQCBJO-IVZWLZJFSA-N 1 0 244.360 1.359 10 0 BDAERO Cc1cnc(-n2cc(Cl)cn2)cc1N ZINC000133319151 345369489 /nfs/dbraw/zinc/36/94/89/345369489.db2.gz JUHPQWZXUZDGNS-UHFFFAOYSA-N 1 0 208.652 1.811 10 0 BDAERO C[C@H]1CCS[C@@]2(CCC[N@H+](C)C2)N1 ZINC000134357709 345409808 /nfs/dbraw/zinc/40/98/08/345409808.db2.gz NWQIVIVCMRTOGY-VHSXEESVSA-N 1 0 200.351 1.523 10 0 BDAERO C[C@@H]1C[C@@H](NOC(C)(C)C)CC[N@@H+]1C ZINC000134481861 345413565 /nfs/dbraw/zinc/41/35/65/345413565.db2.gz GLMUPZGMMKNFFO-ZJUUUORDSA-N 1 0 200.326 1.789 10 0 BDAERO CCOC(=O)c1ccc(NC[C@H](C)[NH3+])nc1 ZINC000082575645 345439348 /nfs/dbraw/zinc/43/93/48/345439348.db2.gz HKKDOFTVDKASMP-QMMMGPOBSA-N 1 0 223.276 1.017 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCc1ccc(C)cc1 ZINC000082248315 345498549 /nfs/dbraw/zinc/49/85/49/345498549.db2.gz ZHCWUKLAUVQHHE-LLVKDONJSA-N 1 0 220.316 1.262 10 0 BDAERO Cc1noc(-c2ccnc(NCC[NH+](C)C)c2)n1 ZINC000090998379 345579228 /nfs/dbraw/zinc/57/92/28/345579228.db2.gz MJWSRSXPJFZCBQ-UHFFFAOYSA-N 1 0 247.302 1.414 10 0 BDAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc2c(c1)OCO2 ZINC000054929318 345565604 /nfs/dbraw/zinc/56/56/04/345565604.db2.gz SAHTVWWPNFTSTJ-MFKMUULPSA-N 1 0 237.299 1.822 10 0 BDAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cnc[nH]1)CC2 ZINC000093585524 345662578 /nfs/dbraw/zinc/66/25/78/345662578.db2.gz YYESXJTUJHQTGM-YPMHNXCESA-N 1 0 235.331 1.537 10 0 BDAERO Cc1ccc([C@H](O)C[NH+]2CCC(O)CC2)cc1C ZINC000063482609 178912732 /nfs/dbraw/zinc/91/27/32/178912732.db2.gz VZCLQNYWWADQFI-OAHLLOKOSA-N 1 0 249.354 1.794 10 0 BDAERO Fc1cccc(C2(N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000215641099 345742755 /nfs/dbraw/zinc/74/27/55/345742755.db2.gz WPCBSNNNYPCHIK-LBPRGKRZSA-N 1 0 220.291 1.766 10 0 BDAERO Cc1cccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000216286291 345743697 /nfs/dbraw/zinc/74/36/97/345743697.db2.gz XSFGEMGKKLIECN-MNOVXSKESA-N 1 0 203.289 1.188 10 0 BDAERO CC1CC(=O)C([C@H]2CCCC[NH2+]2)C(=O)C1 ZINC000306164801 537908562 /nfs/dbraw/zinc/90/85/62/537908562.db2.gz AJSLJRCZTFQUKK-NBBOBHDQSA-N 1 0 209.289 1.313 10 0 BDAERO COc1ccc(C[C@@]2(C)COCC[NH2+]2)cc1 ZINC000221541474 345758360 /nfs/dbraw/zinc/75/83/60/345758360.db2.gz PVDLAJVEPSELDW-ZDUSSCGKSA-N 1 0 221.300 1.616 10 0 BDAERO Cn1c2cccc(F)c2nc1NCCC[NH3+] ZINC000212502653 345738349 /nfs/dbraw/zinc/73/83/49/345738349.db2.gz ZYZMJBXSZRYBJA-UHFFFAOYSA-N 1 0 222.267 1.473 10 0 BDAERO C[C@]1(NC2=[NH+]CCS2)CCCOC1 ZINC000235725314 345806708 /nfs/dbraw/zinc/80/67/08/345806708.db2.gz GLSXIPJQLYEBNB-VIFPVBQESA-N 1 0 200.307 1.248 10 0 BDAERO O=C(C[NH2+][C@H]1CC[C@H](O)CC1)c1ccccn1 ZINC000257352565 345774130 /nfs/dbraw/zinc/77/41/30/345774130.db2.gz MAIPYAIWLJRBDY-XYPYZODXSA-N 1 0 234.299 1.157 10 0 BDAERO O=[S@@]1C=Cc2c1cccc2N1CC[NH2+]CC1 ZINC000257354354 345775064 /nfs/dbraw/zinc/77/50/64/345775064.db2.gz XGLXPENQCGXZNB-MRXNPFEDSA-N 1 0 234.324 1.188 10 0 BDAERO [NH3+]CCc1nnc2cc(C(F)(F)F)ccn21 ZINC000258015815 345779360 /nfs/dbraw/zinc/77/93/60/345779360.db2.gz MWMRTCSOAMSLFY-UHFFFAOYSA-N 1 0 230.193 1.249 10 0 BDAERO C[C@@H]1CCn2cc(C3CC[NH2+]CC3)nc2C1 ZINC000258761403 345786018 /nfs/dbraw/zinc/78/60/18/345786018.db2.gz ZYXBBGMFNCTMCW-SNVBAGLBSA-N 1 0 219.332 1.932 10 0 BDAERO CC1(C)OCC(C[NH2+]C2CCCC2)CO1 ZINC000166774950 345786892 /nfs/dbraw/zinc/78/68/92/345786892.db2.gz NEXGNHZJZRNAPF-UHFFFAOYSA-N 1 0 213.321 1.918 10 0 BDAERO CC(C)(C[NH3+])[C@H](O)[C@H]1CCCSC1 ZINC000306213256 537911534 /nfs/dbraw/zinc/91/15/34/537911534.db2.gz TXOCLGYKIBSCMG-DTWKUNHWSA-N 1 0 203.351 1.475 10 0 BDAERO C[NH2+][C@H]1Cc2ccccc2C[C@@H]1N1CCCC1 ZINC000034373095 345822532 /nfs/dbraw/zinc/82/25/32/345822532.db2.gz OXKGPVCFUIRFHJ-GJZGRUSLSA-N 1 0 230.355 1.838 10 0 BDAERO C[C@@H]1C[C@@H]([C@@H]([NH3+])Cc2ccccc2)OC1=O ZINC000140304313 345855267 /nfs/dbraw/zinc/85/52/67/345855267.db2.gz WAXXCXFVCULUIE-USWWRNFRSA-N 1 0 219.284 1.508 10 0 BDAERO [NH3+][C@H]1c2cc(Br)ccc2OC[C@H]1O ZINC000142848414 345864849 /nfs/dbraw/zinc/86/48/49/345864849.db2.gz FQCDYFSNALFGQO-APPZFPTMSA-N 1 0 244.088 1.202 10 0 BDAERO O=Cc1ccc2[nH+]ccc(N3CCOCC3)c2c1 ZINC000141503045 345860716 /nfs/dbraw/zinc/86/07/16/345860716.db2.gz AKBPUPONVXHYHL-UHFFFAOYSA-N 1 0 242.278 1.884 10 0 BDAERO CC(C)[C@H]([C@@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000061686347 345824962 /nfs/dbraw/zinc/82/49/62/345824962.db2.gz URNQCTPRKGQLOL-KXUCPTDWSA-N 1 0 219.350 1.041 10 0 BDAERO Cc1ccc(C)c(C(=O)N2CC([NH3+])C2)c1 ZINC000082590439 345910427 /nfs/dbraw/zinc/91/04/27/345910427.db2.gz GAPNFSFBDGSAOJ-UHFFFAOYSA-N 1 0 204.273 1.087 10 0 BDAERO CSCC[C@H]([NH3+])c1nc2cccnc2n1C ZINC000082583418 345910543 /nfs/dbraw/zinc/91/05/43/345910543.db2.gz MMEAYEMXOCOLHT-QMMMGPOBSA-N 1 0 236.344 1.721 10 0 BDAERO CCOc1ccccc1CN1CC([NH3+])C1 ZINC000083634529 345919350 /nfs/dbraw/zinc/91/93/50/345919350.db2.gz OIGNLSCFACSLBC-UHFFFAOYSA-N 1 0 206.289 1.228 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)C)C1 ZINC000136143605 345920298 /nfs/dbraw/zinc/92/02/98/345920298.db2.gz TXDUUKCXLQDHPH-SNVBAGLBSA-N 1 0 213.325 1.178 10 0 BDAERO Cc1ccc(F)c([C@@H]([NH3+])CC2OCCO2)c1 ZINC000235894427 345958490 /nfs/dbraw/zinc/95/84/90/345958490.db2.gz XMFACWPJYLXTJD-NSHDSACASA-N 1 0 225.263 1.897 10 0 BDAERO c1csc(COC[C@H]2CCC[NH2+]C2)n1 ZINC000087391728 345938286 /nfs/dbraw/zinc/93/82/86/345938286.db2.gz YZZVNNZJRGVIHN-VIFPVBQESA-N 1 0 212.318 1.659 10 0 BDAERO CCCn1c2ncccc2nc1[C@@H]1CC[NH2+]C1 ZINC000088871596 345945886 /nfs/dbraw/zinc/94/58/86/345945886.db2.gz WGPSQYXHSVPLFS-SNVBAGLBSA-N 1 0 230.315 1.918 10 0 BDAERO C[C@@H](C(=O)N1CC=CCN1)[NH+]1[C@H](C)CC[C@H]1C ZINC000628224700 345966391 /nfs/dbraw/zinc/96/63/91/345966391.db2.gz XDZNXBXRXMGTHP-UTUOFQBUSA-N 1 0 237.347 1.151 10 0 BDAERO CCC(C)(C)NC(=O)N1CC([C@H](C)[NH3+])C1 ZINC000719752065 537933919 /nfs/dbraw/zinc/93/39/19/537933919.db2.gz WHGPVLNGVDYKAK-QMMMGPOBSA-N 1 0 213.325 1.164 10 0 BDAERO COC(=O)c1ccc([C@@H]2COCCN2)cc1 ZINC000095692833 346080568 /nfs/dbraw/zinc/08/05/68/346080568.db2.gz ORLCRUNHZMEEHU-NSHDSACASA-N 1 0 221.256 1.134 10 0 BDAERO Clc1cccc(CNC2=[NH+]CCN2)c1 ZINC000136371958 346203749 /nfs/dbraw/zinc/20/37/49/346203749.db2.gz UPINWQHVDSHQAH-UHFFFAOYSA-N 1 0 209.680 1.389 10 0 BDAERO Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCO2)o1 ZINC000311722800 346180153 /nfs/dbraw/zinc/18/01/53/346180153.db2.gz ZAFHSQQHCGGZNR-NSHDSACASA-N 1 0 224.304 1.950 10 0 BDAERO Cn1nccc1-c1csc(CC[NH3+])n1 ZINC000236092878 346190894 /nfs/dbraw/zinc/19/08/94/346190894.db2.gz CHZHJHKOFYXFPU-UHFFFAOYSA-N 1 0 208.290 1.045 10 0 BDAERO [NH3+]CCC(=O)Nc1c(Cl)ncnc1Cl ZINC000236237808 346214345 /nfs/dbraw/zinc/21/43/45/346214345.db2.gz RHUHYHNCWKTHHT-UHFFFAOYSA-N 1 0 235.074 1.071 10 0 BDAERO Cc1cccc(=O)n1CCC[C@H]1CCC[NH2+]1 ZINC000052764871 179003426 /nfs/dbraw/zinc/00/34/26/179003426.db2.gz HVVUVOBUNYYWJC-GFCCVEGCSA-N 1 0 220.316 1.689 10 0 BDAERO Cc1cccc(=O)n1CC[C@@H]1CCCC[NH2+]1 ZINC000041630946 179003600 /nfs/dbraw/zinc/00/36/00/179003600.db2.gz SLEZVNZTHLYWRK-LBPRGKRZSA-N 1 0 220.316 1.689 10 0 BDAERO Cc1cccc(C(=O)CN2CCC([NH3+])CC2)c1 ZINC000050158308 179003832 /nfs/dbraw/zinc/00/38/32/179003832.db2.gz RMKOIGWSDTWRQY-UHFFFAOYSA-N 1 0 232.327 1.601 10 0 BDAERO Nc1cc[nH+]cc1C(=O)C1(O)CCCC1 ZINC000236351642 346230827 /nfs/dbraw/zinc/23/08/27/346230827.db2.gz KMQHVKNYZJNOIL-UHFFFAOYSA-N 1 0 206.245 1.152 10 0 BDAERO Nc1nccnc1S[C@H]1CCC[C@@H]1[NH3+] ZINC000236327351 346226121 /nfs/dbraw/zinc/22/61/21/346226121.db2.gz IYLCTWRWZGDNIL-BQBZGAKWSA-N 1 0 210.306 1.031 10 0 BDAERO Cc1cccc(=O)n1Cc1ccc(F)cc1C[NH3+] ZINC000071263835 179003174 /nfs/dbraw/zinc/00/31/74/179003174.db2.gz GSCOBYZUTKLDDJ-UHFFFAOYSA-N 1 0 246.285 1.803 10 0 BDAERO Cc1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1O ZINC000071140094 179011686 /nfs/dbraw/zinc/01/16/86/179011686.db2.gz NAPXHICTMPFUPQ-NSHDSACASA-N 1 0 248.326 1.477 10 0 BDAERO COc1cncc(C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000167643541 346295063 /nfs/dbraw/zinc/29/50/63/346295063.db2.gz INKSIXTZAHOCPW-JTQLQIEISA-N 1 0 206.245 1.025 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H]([NH3+])[C@H](F)C1 ZINC000215170807 537965913 /nfs/dbraw/zinc/96/59/13/537965913.db2.gz NBOGKMXMCRIGDG-BDAKNGLRSA-N 1 0 232.299 1.683 10 0 BDAERO CCC[NH2+][C@H]1CCNC(=O)c2ccccc21 ZINC000669378806 537970357 /nfs/dbraw/zinc/97/03/57/537970357.db2.gz NZXFFJTUIUVALG-LBPRGKRZSA-N 1 0 218.300 1.861 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\C1CC1 ZINC000381571730 346374012 /nfs/dbraw/zinc/37/40/12/346374012.db2.gz WCJSXNYFCCHBLN-ZADCQDASSA-N 1 0 208.305 1.292 10 0 BDAERO CCC[N@H+](CC)C[C@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000669379020 537972750 /nfs/dbraw/zinc/97/27/50/537972750.db2.gz SSNYSBNVKTWPOB-GHMZBOCLSA-N 1 0 228.336 1.029 10 0 BDAERO C[C@@]([NH3+])(CCNC(=O)C1CCCC1)C(F)F ZINC000669378841 537973061 /nfs/dbraw/zinc/97/30/61/537973061.db2.gz PMWKGFCQNIIQDQ-LLVKDONJSA-N 1 0 234.290 1.665 10 0 BDAERO COC(C)(C)CNC1=[NH+]C[C@@H](C)CS1 ZINC000159290880 349956922 /nfs/dbraw/zinc/95/69/22/349956922.db2.gz QEWIVWBOHOCWOK-MRVPVSSYSA-N 1 0 216.350 1.740 10 0 BDAERO Cc1c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cnn1C ZINC000380187772 346382155 /nfs/dbraw/zinc/38/21/55/346382155.db2.gz HAVNITMQLCQOLN-GDNZZTSVSA-N 1 0 205.305 1.617 10 0 BDAERO CC(=O)c1ccnc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c1 ZINC000124303275 537971740 /nfs/dbraw/zinc/97/17/40/537971740.db2.gz SECOXHKTKKPLLY-GWCFXTLKSA-N 1 0 247.342 1.671 10 0 BDAERO CCC(C)(C)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000675054895 537977228 /nfs/dbraw/zinc/97/72/28/537977228.db2.gz VWDVQLTZVYQIOT-OWUUHHOZSA-N 1 0 225.336 1.021 10 0 BDAERO CCCCNC(=O)N1CCC[NH2+]C2(CC2)C1 ZINC000725241642 537980231 /nfs/dbraw/zinc/98/02/31/537980231.db2.gz KNFSFSNPYJNDJP-UHFFFAOYSA-N 1 0 225.336 1.324 10 0 BDAERO Cc1cccc(CNC(=O)[C@](C)([NH3+])C2CC2)n1 ZINC000051576761 179088991 /nfs/dbraw/zinc/08/89/91/179088991.db2.gz UTRRNHNOMYBTNW-CYBMUJFWSA-N 1 0 233.315 1.134 10 0 BDAERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(C#N)nn1 ZINC000396902474 349973431 /nfs/dbraw/zinc/97/34/31/349973431.db2.gz ZIAZGJSKUZROEZ-NSHDSACASA-N 1 0 233.319 1.158 10 0 BDAERO CC[C@@](O)(C[N@H+](C)C1CC1)C(F)(F)F ZINC000669380165 537984219 /nfs/dbraw/zinc/98/42/19/537984219.db2.gz SKJZRPRJLLBFHQ-MRVPVSSYSA-N 1 0 211.227 1.784 10 0 BDAERO CC(C)c1nsc(N(C)[C@H](C)C[NH3+])n1 ZINC000107216657 346657689 /nfs/dbraw/zinc/65/76/89/346657689.db2.gz LIMFUKZONLZKMN-SSDOTTSWSA-N 1 0 214.338 1.445 10 0 BDAERO Cc1cccc(NC(=O)C[NH2+][C@H]2C[C@H]2C)c1 ZINC000052287839 179129454 /nfs/dbraw/zinc/12/94/54/179129454.db2.gz WSTPDZIWXJRAQD-PWSUYJOCSA-N 1 0 218.300 1.932 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCCc1ccc(C)nc1 ZINC000166649074 346685141 /nfs/dbraw/zinc/68/51/41/346685141.db2.gz LDFDPPGJBAFILJ-GFCCVEGCSA-N 1 0 235.331 1.176 10 0 BDAERO CC(C)[N@H+](C)C[C@@H](O)CCC1(O)CCC1 ZINC000669379966 537985587 /nfs/dbraw/zinc/98/55/87/537985587.db2.gz NMWSESBPJUGQAB-NSHDSACASA-N 1 0 215.337 1.383 10 0 BDAERO Cn1cnc2c1[C@@](C)(CC1CCC1)[NH2+]CC2 ZINC000725242749 537986484 /nfs/dbraw/zinc/98/64/84/537986484.db2.gz PVXMCUIPQAILPH-CYBMUJFWSA-N 1 0 219.332 1.971 10 0 BDAERO Cn1cnc2c1[C@@H](C1(C)CCC1)[NH2+]CC2 ZINC000725242547 537986624 /nfs/dbraw/zinc/98/66/24/537986624.db2.gz DPMYFWPWSXMKPC-NSHDSACASA-N 1 0 205.305 1.797 10 0 BDAERO Cc1cccc(OC[C@H]2CC[C@@H](C[NH3+])O2)c1 ZINC000052666886 179172314 /nfs/dbraw/zinc/17/23/14/179172314.db2.gz LRVIMRGBIROCLF-QWHCGFSZSA-N 1 0 221.300 1.880 10 0 BDAERO Cc1cccc(O[C@@H]2COCC[C@@H]2[NH3+])c1 ZINC000036305793 179174976 /nfs/dbraw/zinc/17/49/76/179174976.db2.gz FTTFWXDHIOOEAG-NWDGAFQWSA-N 1 0 207.273 1.490 10 0 BDAERO CCC(F)(F)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000641824674 362774430 /nfs/dbraw/zinc/77/44/30/362774430.db2.gz XDTNDQIXAIXNSH-BDAKNGLRSA-N 1 0 206.280 1.558 10 0 BDAERO Cc1oncc1CN1CCC[C@@H]1C(=O)N(C)C ZINC000185172122 347192243 /nfs/dbraw/zinc/19/22/43/347192243.db2.gz SCDJNZOKTYWYRU-LLVKDONJSA-N 1 0 237.303 1.036 10 0 BDAERO Cc1cccc([C@@H](C[NH3+])N2CCC(O)CC2)c1 ZINC000020178960 179184478 /nfs/dbraw/zinc/18/44/78/179184478.db2.gz PAIPBWRQUPSHDR-CQSZACIVSA-N 1 0 234.343 1.452 10 0 BDAERO C[C@@](CC[NH3+])(NC(=O)C1CCCC1)C(F)F ZINC000669380377 537987409 /nfs/dbraw/zinc/98/74/09/537987409.db2.gz LLNHTSIPPLQHMD-NSHDSACASA-N 1 0 234.290 1.665 10 0 BDAERO CC[N@H+](C(C)C)[C@H]1CC2(CC[C@H]1N)OCCO2 ZINC000250095941 362786776 /nfs/dbraw/zinc/78/67/76/362786776.db2.gz XUYQYKGHIQJNQT-NEPJUHHUSA-N 1 0 242.363 1.340 10 0 BDAERO CCCNC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669380209 537988136 /nfs/dbraw/zinc/98/81/36/537988136.db2.gz JWNLUKJKYONPEC-VIFPVBQESA-N 1 0 223.267 1.068 10 0 BDAERO CO[C@@]1(c2ccc(Cl)cc2)CC[NH2+]C[C@@H]1O ZINC000059715980 347228986 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362819908 /nfs/dbraw/zinc/81/99/08/362819908.db2.gz UGRQPHDEBWEZCF-MNOVXSKESA-N 1 0 210.321 1.039 10 0 BDAERO CN1CC[C@@H]([NH3+])[C@H]1c1ccc(Br)o1 ZINC000250665168 362815752 /nfs/dbraw/zinc/81/57/52/362815752.db2.gz ZNNQCWIOVOIHTC-MUWHJKNJSA-N 1 0 245.120 1.746 10 0 BDAERO Cc1cccc2c1O[C@H](C1=[NH+]CCN1)C2 ZINC000027648203 179223262 /nfs/dbraw/zinc/22/32/62/179223262.db2.gz SPEJPGYEEBLAIZ-JTQLQIEISA-N 1 0 202.257 1.300 10 0 BDAERO C[C@H](C[NH2+]CCN(C)C)c1ccccc1 ZINC000020083529 347406358 /nfs/dbraw/zinc/40/63/58/347406358.db2.gz KCMZESDPERHUMC-GFCCVEGCSA-N 1 0 206.333 1.941 10 0 BDAERO CCOCCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000388383095 347375269 /nfs/dbraw/zinc/37/52/69/347375269.db2.gz UTCUIAOVDFMZGQ-NEPJUHHUSA-N 1 0 242.363 1.307 10 0 BDAERO C[S@@](=N)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000616568681 347450340 /nfs/dbraw/zinc/45/03/40/347450340.db2.gz LPEWQXKMCVXDGR-INIZCTEOSA-N 1 0 245.392 1.528 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]([S@](=O)C2CCCC2)C1 ZINC000251093591 362837456 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/nfs/dbraw/zinc/27/97/66/349279766.db2.gz OBGADVDRELNMHY-JQWIXIFHSA-N 1 0 203.285 1.772 10 0 BDAERO CC(C)(C[NH3+])[C@@H](O)[C@@H]1CCCSC1 ZINC000306213255 538042331 /nfs/dbraw/zinc/04/23/31/538042331.db2.gz TXOCLGYKIBSCMG-BDAKNGLRSA-N 1 0 203.351 1.475 10 0 BDAERO C[C@@H](Nc1ncnc2c1CCC2)[C@@H]1CCC[NH2+]C1 ZINC000061277701 349373707 /nfs/dbraw/zinc/37/37/07/349373707.db2.gz CZNBAGBHWIRKCQ-GHMZBOCLSA-N 1 0 246.358 1.765 10 0 BDAERO Cc1cccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000070578118 350024846 /nfs/dbraw/zinc/02/48/46/350024846.db2.gz YYYDNVZWYPUXLR-RYUDHWBXSA-N 1 0 247.342 1.524 10 0 BDAERO CC(C)N(CC1CC1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619165 350028616 /nfs/dbraw/zinc/02/86/16/350028616.db2.gz QTPHLPBJSPHGDQ-ZDUSSCGKSA-N 1 0 224.348 1.776 10 0 BDAERO CSC[C@H](C)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000601978201 349413570 /nfs/dbraw/zinc/41/35/70/349413570.db2.gz VRUCGSLEOSGXLA-NHCYSSNCSA-N 1 0 242.388 1.244 10 0 BDAERO Cc1nc(Cc2ncc(CC[NH3+])cn2)cs1 ZINC000055296923 179985960 /nfs/dbraw/zinc/98/59/60/179985960.db2.gz GSTUGIPTMLLOJO-UHFFFAOYSA-N 1 0 234.328 1.334 10 0 BDAERO CC[N@@H+]1CC[C@H](c2cccc(CO)c2)C1 ZINC000616613846 350067785 /nfs/dbraw/zinc/06/77/85/350067785.db2.gz SELZXRLJBNDFHQ-ZDUSSCGKSA-N 1 0 205.301 1.988 10 0 BDAERO Cc1nc(N2CCCC2)ncc1[C@@H](C)[NH3+] ZINC000040539122 180000591 /nfs/dbraw/zinc/00/05/91/180000591.db2.gz HOVMSONUWLSOHQ-MRVPVSSYSA-N 1 0 206.293 1.405 10 0 BDAERO Cc1nc(N)sc1SC[C@H]1CCC[NH2+]1 ZINC000043497494 180001168 /nfs/dbraw/zinc/00/11/68/180001168.db2.gz PDRHKCUVIDVJRL-SSDOTTSWSA-N 1 0 229.374 1.878 10 0 BDAERO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)sc1C[NH3+] ZINC000054995433 180004086 /nfs/dbraw/zinc/00/40/86/180004086.db2.gz PZMPUDOKOVMHMP-YUMQZZPRSA-N 1 0 241.360 1.524 10 0 BDAERO CC(C)Oc1cncc(N2CCC[C@H]2C[NH3+])n1 ZINC000071176767 350089900 /nfs/dbraw/zinc/08/99/00/350089900.db2.gz CGQDCQMYRGJVAP-JTQLQIEISA-N 1 0 236.319 1.191 10 0 BDAERO FC(F)Oc1ccc(NC2CC[NH2+]CC2)nc1 ZINC000392867382 350127774 /nfs/dbraw/zinc/12/77/74/350127774.db2.gz NSXCVGDBPCQDDV-UHFFFAOYSA-N 1 0 243.257 1.847 10 0 BDAERO CC[NH2+]CCC(=O)OCc1ccccc1 ZINC000051784855 350113932 /nfs/dbraw/zinc/11/39/32/350113932.db2.gz PJHKBTYFVIAOCO-UHFFFAOYSA-N 1 0 207.273 1.729 10 0 BDAERO Cc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]1CO ZINC000309169925 350114884 /nfs/dbraw/zinc/11/48/84/350114884.db2.gz KWPUBUVMLIGOPG-CMPLNLGQSA-N 1 0 209.264 1.605 10 0 BDAERO CC(C)(CO)[C@H]([NH3+])c1ccc2[nH]ccc2n1 ZINC000089221290 191020916 /nfs/dbraw/zinc/02/09/16/191020916.db2.gz PXZLRWRUODZERE-LLVKDONJSA-N 1 0 219.288 1.581 10 0 BDAERO COC(=O)[C@H](N)Cc1cc(Cl)ccc1OC ZINC000057534383 350129559 /nfs/dbraw/zinc/12/95/59/350129559.db2.gz PJJRGGMYDAYQAQ-SECBINFHSA-N 1 0 243.690 1.391 10 0 BDAERO CCc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000382341445 350125891 /nfs/dbraw/zinc/12/58/91/350125891.db2.gz ZYTYLSGCDSROSW-QWHCGFSZSA-N 1 0 205.301 1.719 10 0 BDAERO CC[C@H](C)N(C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000304230347 350146252 /nfs/dbraw/zinc/14/62/52/350146252.db2.gz KMIBSRSDJLSDLP-RYUDHWBXSA-N 1 0 230.396 1.713 10 0 BDAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H]1CCC(=O)NC1 ZINC000104250233 180081575 /nfs/dbraw/zinc/08/15/75/180081575.db2.gz WPQMFUYCQZQOHH-SNVBAGLBSA-N 1 0 244.298 1.378 10 0 BDAERO Cc1[nH+]c2cc(N)ccc2n1Cc1nncn1C ZINC000052853436 180081713 /nfs/dbraw/zinc/08/17/13/180081713.db2.gz JDPPXOXTSDGTMI-UHFFFAOYSA-N 1 0 242.286 1.104 10 0 BDAERO Cc1nc2ccc(CCOC(=O)CC[NH3+])cc2o1 ZINC000077421145 180091006 /nfs/dbraw/zinc/09/10/06/180091006.db2.gz IHXGPOKTGHOFJO-UHFFFAOYSA-N 1 0 248.282 1.571 10 0 BDAERO CCC(CC)(CO)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000304207132 350144243 /nfs/dbraw/zinc/14/42/43/350144243.db2.gz DCUIFFGHYYWWFF-LLVKDONJSA-N 1 0 231.380 1.782 10 0 BDAERO OC1(C[NH2+]C[C@H]2CCCSC2)CCOCC1 ZINC000304546268 350162307 /nfs/dbraw/zinc/16/23/07/350162307.db2.gz TZPRCZPSZNXYRA-LLVKDONJSA-N 1 0 245.388 1.261 10 0 BDAERO Cc1[nH+]c2cccc(F)c2c(N)c1CO ZINC000013864111 180099840 /nfs/dbraw/zinc/09/98/40/180099840.db2.gz OXCGJAXIQMUNRF-UHFFFAOYSA-N 1 0 206.220 1.757 10 0 BDAERO Cc1nc2ccccc2n1CCOCC[NH3+] ZINC000057798898 180103333 /nfs/dbraw/zinc/10/33/33/180103333.db2.gz BLEPVHXRONYLTP-UHFFFAOYSA-N 1 0 219.288 1.320 10 0 BDAERO Cc1nc2ccccc2n1CC[NH+](C)C ZINC000075972819 180103820 /nfs/dbraw/zinc/10/38/20/180103820.db2.gz WQYNEUJFMUEPSS-UHFFFAOYSA-N 1 0 203.289 1.906 10 0 BDAERO O=C1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000034180513 350168904 /nfs/dbraw/zinc/16/89/04/350168904.db2.gz PFCXSNACHOIUGM-CYBMUJFWSA-N 1 0 201.269 1.949 10 0 BDAERO Cc1ncc(C(=O)N2CC[C@H]([NH+](C)C)C2)s1 ZINC000170864494 180126859 /nfs/dbraw/zinc/12/68/59/180126859.db2.gz DKWXQWBSLCJZAR-VIFPVBQESA-N 1 0 239.344 1.228 10 0 BDAERO CCC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000220986434 350192617 /nfs/dbraw/zinc/19/26/17/350192617.db2.gz ZPSNXLCMPUGMBN-DTWKUNHWSA-N 1 0 201.335 1.791 10 0 BDAERO CSc1nccc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000100267016 191062746 /nfs/dbraw/zinc/06/27/46/191062746.db2.gz PTZSWNXJEYIFIY-DTORHVGOSA-N 1 0 238.360 1.880 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCO[C@H]2C)cn1 ZINC000336767700 180156422 /nfs/dbraw/zinc/15/64/22/180156422.db2.gz TXEHMMHMKVOBPT-GZMMTYOYSA-N 1 0 207.277 1.052 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCC[C@H](O)C2)s1 ZINC000037797600 180157966 /nfs/dbraw/zinc/15/79/66/180157966.db2.gz UAYPUCONWTVJOW-UWVGGRQHSA-N 1 0 226.345 1.845 10 0 BDAERO Cc1ncc(CNC(=O)c2c[nH+]ccc2N)s1 ZINC000127444647 180149787 /nfs/dbraw/zinc/14/97/87/180149787.db2.gz LOBOQVKDNJSITO-UHFFFAOYSA-N 1 0 248.311 1.359 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)C(C)C ZINC000123433475 191074024 /nfs/dbraw/zinc/07/40/24/191074024.db2.gz WMUBXGGNUPPWSV-OLZOCXBDSA-N 1 0 228.380 1.731 10 0 BDAERO Cc1ncc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)s1 ZINC000309247672 180151595 /nfs/dbraw/zinc/15/15/95/180151595.db2.gz ZNVTWJXTAOJIHJ-RTCCRHLQSA-N 1 0 224.329 1.434 10 0 BDAERO Cc1nccc(CN[C@@H](C)C[NH+]2CCCC2)n1 ZINC000054790839 180190819 /nfs/dbraw/zinc/19/08/19/180190819.db2.gz KQJZOYIQAUOEAH-NSHDSACASA-N 1 0 234.347 1.359 10 0 BDAERO Cc1nccc(C[NH2+][C@H]2CCC[C@@H](O)C2)n1 ZINC000054790656 180192545 /nfs/dbraw/zinc/19/25/45/180192545.db2.gz LXWCQVSLUUMYMR-CMPLNLGQSA-N 1 0 221.304 1.178 10 0 BDAERO Cc1nccc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000054937483 180208409 /nfs/dbraw/zinc/20/84/09/180208409.db2.gz QMTCHMJTCRPPSF-JTQLQIEISA-N 1 0 207.277 1.163 10 0 BDAERO Cc1nccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000054790810 180189939 /nfs/dbraw/zinc/18/99/39/180189939.db2.gz DARDBTSRCIVCPL-ZDUSSCGKSA-N 1 0 248.374 1.605 10 0 BDAERO Cc1nccn1CC[N@@H+](C)Cc1ccccc1N ZINC000049330758 180252395 /nfs/dbraw/zinc/25/23/95/180252395.db2.gz ACCYHUHQIOCOFL-UHFFFAOYSA-N 1 0 244.342 1.906 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCCN[C@H]1C)C(C)C ZINC000396603687 323312277 /nfs/dbraw/zinc/31/22/77/323312277.db2.gz BSPMKCZZFKQPHB-SRVKXCTJSA-N 1 0 214.353 1.388 10 0 BDAERO COC1(OC)CC[C@@H](C)C[C@H]1CC[NH3+] ZINC000725261733 538086790 /nfs/dbraw/zinc/08/67/90/538086790.db2.gz DWCGWKURMCPAFE-NXEZZACHSA-N 1 0 201.310 1.761 10 0 BDAERO Cc1nccn1CCOCC[C@@H]1CCC[NH2+]C1 ZINC000051918297 180263581 /nfs/dbraw/zinc/26/35/81/180263581.db2.gz ZNQVLCHYJSQHKB-ZDUSSCGKSA-N 1 0 237.347 1.598 10 0 BDAERO CC(C)C[C@@H](CO)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000309298996 350269568 /nfs/dbraw/zinc/26/95/68/350269568.db2.gz SMYFJZCYKZYDPY-IUCAKERBSA-N 1 0 243.269 1.296 10 0 BDAERO Cc1nccn1Cc1ccccc1CC[NH3+] ZINC000082968836 180269205 /nfs/dbraw/zinc/26/92/05/180269205.db2.gz NORQDJZPSNBMLZ-UHFFFAOYSA-N 1 0 215.300 1.741 10 0 BDAERO Cc1nccn1[C@@H](c1ccco1)[C@H](C)[NH3+] ZINC000043336365 180271322 /nfs/dbraw/zinc/27/13/22/180271322.db2.gz GRPRWSTZIAZRHT-GZMMTYOYSA-N 1 0 205.261 1.721 10 0 BDAERO Cc1nccn1[C@H](C[NH3+])c1cccc(F)c1 ZINC000042973152 180271984 /nfs/dbraw/zinc/27/19/84/180271984.db2.gz FFISGXSVGLNHLX-GFCCVEGCSA-N 1 0 219.263 1.879 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@@H]1c1ccc(OC)c(C)c1 ZINC000725262837 538089813 /nfs/dbraw/zinc/08/98/13/538089813.db2.gz XXXFDZFAQGWONK-TZMCWYRMSA-N 1 0 234.343 1.798 10 0 BDAERO Cc1ncnc(-c2cccs2)c1C[NH3+] ZINC000077298845 180290293 /nfs/dbraw/zinc/29/02/93/180290293.db2.gz GTXJIMTYMCLDIH-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO COc1ccncc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324472679 350303408 /nfs/dbraw/zinc/30/34/08/350303408.db2.gz HHLHJPHRTYMPFM-GFCCVEGCSA-N 1 0 238.331 1.587 10 0 BDAERO Cc1nccnc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000095069446 180280375 /nfs/dbraw/zinc/28/03/75/180280375.db2.gz YKZUVXXQQWXMLU-ZJUUUORDSA-N 1 0 206.293 1.467 10 0 BDAERO Cc1ncn(C[C@H]2CC[C@H](C[NH3+])O2)c1C ZINC000052593598 180286711 /nfs/dbraw/zinc/28/67/11/180286711.db2.gz DKFNGJUDDIIQOP-GHMZBOCLSA-N 1 0 209.293 1.006 10 0 BDAERO Cc1ncoc1-c1nc([C@H]([NH3+])C(C)C)no1 ZINC000083307153 180296336 /nfs/dbraw/zinc/29/63/36/180296336.db2.gz XPMJRBVPQVFYRH-SSDOTTSWSA-N 1 0 222.248 1.689 10 0 BDAERO Cc1ncsc1CCOc1ccc(C[NH3+])cn1 ZINC000035719774 180310298 /nfs/dbraw/zinc/31/02/98/180310298.db2.gz SVTHFBXQJBSMSJ-UHFFFAOYSA-N 1 0 249.339 1.927 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+]C[C@H](C)O ZINC000037258083 180327063 /nfs/dbraw/zinc/32/70/63/180327063.db2.gz OHHZJSREZBKMLK-NKWVEPMBSA-N 1 0 200.307 1.483 10 0 BDAERO Cc1nn(-c2ccc(Cl)nn2)c(C)c1C[NH3+] ZINC000019507696 180328566 /nfs/dbraw/zinc/32/85/66/180328566.db2.gz MKMDOMJUCHFTTN-UHFFFAOYSA-N 1 0 237.694 1.391 10 0 BDAERO Cc1nn(-c2nccnc2C[NH3+])c(C)c1C ZINC000054378298 180331900 /nfs/dbraw/zinc/33/19/00/180331900.db2.gz XORJDZCQDSBPSJ-UHFFFAOYSA-N 1 0 217.276 1.046 10 0 BDAERO COCCC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725264239 538090783 /nfs/dbraw/zinc/09/07/83/538090783.db2.gz RBCFGOIZAKHMLK-LLVKDONJSA-N 1 0 240.347 1.143 10 0 BDAERO Cc1nn(C)c(C)c1NC1CC[NH2+]CC1 ZINC000038040696 180344057 /nfs/dbraw/zinc/34/40/57/180344057.db2.gz PRMXYQRNVBLXAA-UHFFFAOYSA-N 1 0 208.309 1.201 10 0 BDAERO Cc1nn(C)c(C)c1N[C@@H]1CC[N@H+](C)C1 ZINC000061984785 180344976 /nfs/dbraw/zinc/34/49/76/180344976.db2.gz ZIPVGCCUOHHHJP-SNVBAGLBSA-N 1 0 208.309 1.153 10 0 BDAERO Cc1nn(C)c(Cl)c1CSCC[NH3+] ZINC000037035767 180351002 /nfs/dbraw/zinc/35/10/02/180351002.db2.gz WUKCCCRZKYRPBI-UHFFFAOYSA-N 1 0 219.741 1.574 10 0 BDAERO Cc1nn(C)c(N2CCC[C@H]2C)c1C[NH2+]C1CC1 ZINC000037911807 180356541 /nfs/dbraw/zinc/35/65/41/180356541.db2.gz KKQAUUWYBKWGGI-SNVBAGLBSA-N 1 0 248.374 1.969 10 0 BDAERO Cc1ccc(C(=O)CC2([NH3+])CCC2)cn1 ZINC000226673190 350446836 /nfs/dbraw/zinc/44/68/36/350446836.db2.gz DKSFPHGQRGOQTI-UHFFFAOYSA-N 1 0 204.273 1.844 10 0 BDAERO O=C(NCc1ccccc1)[C@@H]1[NH2+]C[C@H]2CCC[C@@H]12 ZINC000299937593 350462541 /nfs/dbraw/zinc/46/25/41/350462541.db2.gz CDXWUEFAGCUZJL-MGPQQGTHSA-N 1 0 244.338 1.691 10 0 BDAERO CCN1CCC[C@H]1C[N@H+](C)CC1(O)CCC1 ZINC000336683941 350440588 /nfs/dbraw/zinc/44/05/88/350440588.db2.gz UDLCTACRBZOSQT-LBPRGKRZSA-N 1 0 226.364 1.318 10 0 BDAERO CCn1nccc1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226598342 350442660 /nfs/dbraw/zinc/44/26/60/350442660.db2.gz RSBYZNCBYHBDGR-RKDXNWHRSA-N 1 0 207.277 1.213 10 0 BDAERO c1ccc2c(c1)COC1(CC[NH2+]CC1)C2 ZINC000034496190 350470376 /nfs/dbraw/zinc/47/03/76/350470376.db2.gz LGEDLCNOQFZWMN-UHFFFAOYSA-N 1 0 203.285 1.882 10 0 BDAERO C[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H](O)C1 ZINC000409422146 350474157 /nfs/dbraw/zinc/47/41/57/350474157.db2.gz BIBDXFAWHNINPY-DGCLKSJQSA-N 1 0 205.301 1.684 10 0 BDAERO COc1ccc([C@@H](F)CN2CC[NH2+]CC2)cc1 ZINC000409424697 350475581 /nfs/dbraw/zinc/47/55/81/350475581.db2.gz XMJXAKNRRHGSIB-ZDUSSCGKSA-N 1 0 238.306 1.611 10 0 BDAERO COC[C@H]1CN(C(N)=[NH2+])CC12CCCC2 ZINC000409434449 350479116 /nfs/dbraw/zinc/47/91/16/350479116.db2.gz PFSWRDBTVBGEBZ-SECBINFHSA-N 1 0 211.309 1.018 10 0 BDAERO [NH3+]CCn1nc(-c2cccs2)c2c1CCOC2 ZINC000409436804 350479438 /nfs/dbraw/zinc/47/94/38/350479438.db2.gz ATLWWXHQBLGDTF-UHFFFAOYSA-N 1 0 249.339 1.643 10 0 BDAERO [NH3+]CCn1nc(-c2ccncc2)c2c1CCC2 ZINC000409437317 350480375 /nfs/dbraw/zinc/48/03/75/350480375.db2.gz FYMPARLUBWOTEE-UHFFFAOYSA-N 1 0 228.299 1.393 10 0 BDAERO Cc1nn(C)cc1[C@H](C[NH3+])c1ccccc1 ZINC000026512884 180382765 /nfs/dbraw/zinc/38/27/65/180382765.db2.gz OGVFWGMWIDRURU-GFCCVEGCSA-N 1 0 215.300 1.819 10 0 BDAERO C[N@@H+]1CCOC[C@H](c2cccc3nnccc32)C1 ZINC000616592940 350484935 /nfs/dbraw/zinc/48/49/35/350484935.db2.gz GRADJDMIPNNTGP-LLVKDONJSA-N 1 0 243.310 1.675 10 0 BDAERO c1cn(C[C@H]2CCC[N@@H+]2CC2CCOCC2)cn1 ZINC000163165915 350508638 /nfs/dbraw/zinc/50/86/38/350508638.db2.gz FSXLPOYESAFWPC-CQSZACIVSA-N 1 0 249.358 1.774 10 0 BDAERO Cc1nn([C@H]2CCOC2)c(C)c1C[NH2+]C1CC1 ZINC000070072926 180393082 /nfs/dbraw/zinc/39/30/82/180393082.db2.gz DOEAAUPCLRXKGG-LBPRGKRZSA-N 1 0 235.331 1.713 10 0 BDAERO Cc1nn([C@H]2CCC[C@H]2O)c(C)c1C[NH3+] ZINC000054599490 180393345 /nfs/dbraw/zinc/39/33/45/180393345.db2.gz QNYOATRKLLWHJO-WDEREUQCSA-N 1 0 209.293 1.045 10 0 BDAERO C[C@@H]1CS[C@H]2[C@@H](C)O[C@@H](C)C[C@@H]2[NH2+]1 ZINC000227795127 350515237 /nfs/dbraw/zinc/51/52/37/350515237.db2.gz QCGQNGACKBUUIZ-KGDYZURWSA-N 1 0 201.335 1.646 10 0 BDAERO C[C@H](O)CCC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227382448 350495243 /nfs/dbraw/zinc/49/52/43/350495243.db2.gz AVLXBMJDYGYASM-IHRRRGAJSA-N 1 0 240.391 1.706 10 0 BDAERO Cc1nn(CC[NH2+]C[C@@H]2CCOC2)c(C)c1C ZINC000053540356 180388861 /nfs/dbraw/zinc/38/88/61/180388861.db2.gz RXURGYMIVRRANE-ZDUSSCGKSA-N 1 0 237.347 1.434 10 0 BDAERO [NH3+][C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000227618643 350504046 /nfs/dbraw/zinc/50/40/46/350504046.db2.gz BYRSAVKQQHFGCV-MRVPVSSYSA-N 1 0 241.088 1.123 10 0 BDAERO Cc1nn(C[C@@H]2CCCCO2)c(C)c1C[NH3+] ZINC000054716392 180390317 /nfs/dbraw/zinc/39/03/17/180390317.db2.gz BBMIEECQISTCEG-NSHDSACASA-N 1 0 223.320 1.528 10 0 BDAERO Cc1cc(CN2C[C@@H]([NH3+])C2=O)sc1C ZINC000227625827 350504757 /nfs/dbraw/zinc/50/47/57/350504757.db2.gz FQDSCSJRTITSET-SECBINFHSA-N 1 0 210.302 1.034 10 0 BDAERO CC(C)[C@H](CO)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000348300562 323378345 /nfs/dbraw/zinc/37/83/45/323378345.db2.gz HAPXQMWCXNDXNP-LOWDOPEQSA-N 1 0 241.375 1.654 10 0 BDAERO Cc1nnc(C)n1NC(=[NH2+])c1ccccc1 ZINC000027080665 180399089 /nfs/dbraw/zinc/39/90/89/180399089.db2.gz PKBPJNMSMHDHOY-UHFFFAOYSA-N 1 0 215.260 1.464 10 0 BDAERO Cc1nnc(C(C)(C)[NH3+])n1C1CCCC1 ZINC000042038838 180399173 /nfs/dbraw/zinc/39/91/73/180399173.db2.gz PEZCCLYFIHGFLF-UHFFFAOYSA-N 1 0 208.309 1.895 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616593162 350520144 /nfs/dbraw/zinc/52/01/44/350520144.db2.gz JMNWLPUGGGQCKR-ZDUSSCGKSA-N 1 0 248.326 1.569 10 0 BDAERO Cc1nnc(COC[C@H]2CCCC[NH2+]2)o1 ZINC000051815687 180415604 /nfs/dbraw/zinc/41/56/04/180415604.db2.gz KXJBXKBAIZMUCI-SECBINFHSA-N 1 0 211.265 1.037 10 0 BDAERO CCN1CC[NH+](C[C@@H]2C[C@]2(CO)C(C)C)CC1 ZINC000725267248 538097505 /nfs/dbraw/zinc/09/75/05/538097505.db2.gz QLWTWGVXIWMMSA-KBPBESRZSA-N 1 0 240.391 1.279 10 0 BDAERO c1cc2nnccc2c([C@H]2C[NH2+]CCOC2)c1 ZINC000616597201 350648169 /nfs/dbraw/zinc/64/81/69/350648169.db2.gz HSPYSHLNSDZUKE-JTQLQIEISA-N 1 0 229.283 1.333 10 0 BDAERO c1cc2cc([C@H]3COCCC[NH2+]3)ccc2nn1 ZINC000616598453 350671513 /nfs/dbraw/zinc/67/15/13/350671513.db2.gz AWVIEFXBSSVCLW-CYBMUJFWSA-N 1 0 229.283 1.681 10 0 BDAERO CCOC(=O)N1CCC[N@H+](C)C[C@@H]1C ZINC000233703871 350682442 /nfs/dbraw/zinc/68/24/42/350682442.db2.gz XKELGJZLJPYEFZ-VIFPVBQESA-N 1 0 200.282 1.169 10 0 BDAERO c1ccc2c(c1)nncc2[C@H]1COCCC[NH2+]1 ZINC000616599749 350757785 /nfs/dbraw/zinc/75/77/85/350757785.db2.gz ONQJTVFOQWLKHA-CYBMUJFWSA-N 1 0 229.283 1.681 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+]C[C@H](C)[S@](=O)[C@H]2C1 ZINC000251896000 362980095 /nfs/dbraw/zinc/98/00/95/362980095.db2.gz SDWANRATIRKIFV-VQAIZDJRSA-N 1 0 201.335 1.284 10 0 BDAERO [NH3+]C[C@H]1COCCCN1Cc1ccccc1 ZINC000616599293 350742200 /nfs/dbraw/zinc/74/22/00/350742200.db2.gz JQONJTGADDASTL-ZDUSSCGKSA-N 1 0 220.316 1.236 10 0 BDAERO OCCc1cccc([C@H]2CC[N@@H+](CCO)C2)c1 ZINC000616613911 350815169 /nfs/dbraw/zinc/81/51/69/350815169.db2.gz VRFMTVPPIYINFM-AWEZNQCLSA-N 1 0 235.327 1.003 10 0 BDAERO C[C@H](C[NH3+])[C@H](O)c1coc(Br)c1 ZINC000306673199 350817629 /nfs/dbraw/zinc/81/76/29/350817629.db2.gz MXJKXUCKQOUOTO-XRGYYRRGSA-N 1 0 234.093 1.670 10 0 BDAERO NC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000616613874 350817689 /nfs/dbraw/zinc/81/76/89/350817689.db2.gz CRYNCGWYGIKNFB-CYBMUJFWSA-N 1 0 248.326 1.305 10 0 BDAERO CCN1CCOC[C@@H]1c1ccccc1CO ZINC000616600325 350779718 /nfs/dbraw/zinc/77/97/18/350779718.db2.gz FGLJOCWHCCMXNO-CYBMUJFWSA-N 1 0 221.300 1.572 10 0 BDAERO CCN1CC[NH2+][C@H](c2cnnc3ccccc32)C1 ZINC000616600825 350780740 /nfs/dbraw/zinc/78/07/40/350780740.db2.gz BZEDTKNNMDHZDU-AWEZNQCLSA-N 1 0 242.326 1.596 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@H](c2nn[nH]n2)CC1 ZINC000616601869 350786500 /nfs/dbraw/zinc/78/65/00/350786500.db2.gz VLGMJRNXMHNUDL-VIFPVBQESA-N 1 0 223.324 1.568 10 0 BDAERO [NH3+]CCN1CCC[C@@H](C(F)(F)F)CC1 ZINC000616602548 350791836 /nfs/dbraw/zinc/79/18/36/350791836.db2.gz ZOBJWKYRHDCGIJ-MRVPVSSYSA-N 1 0 210.243 1.610 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2ccon2)C1 ZINC000616604848 350793552 /nfs/dbraw/zinc/79/35/52/350793552.db2.gz QXVHCHJJSHQGFC-JTQLQIEISA-N 1 0 210.277 1.236 10 0 BDAERO OCC[N@@H+]1CC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616614386 350831936 /nfs/dbraw/zinc/83/19/36/350831936.db2.gz MARJWXNEHSTWOE-GFCCVEGCSA-N 1 0 243.310 1.411 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncnc3c2CCC3)C1 ZINC000382471113 350839409 /nfs/dbraw/zinc/83/94/09/350839409.db2.gz PQQFKWKQJLDZLH-VHSXEESVSA-N 1 0 232.331 1.505 10 0 BDAERO CC(C)C1(O)C[NH+](C[C@@H]2CCCC2=O)C1 ZINC000306683330 350840219 /nfs/dbraw/zinc/84/02/19/350840219.db2.gz VMBRWGRXXSPEON-JTQLQIEISA-N 1 0 211.305 1.058 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+]C1CCS(=O)CC1 ZINC000306700703 350850581 /nfs/dbraw/zinc/85/05/81/350850581.db2.gz DVJSBIYBHAAQRZ-SUIRZZFNSA-N 1 0 201.335 1.286 10 0 BDAERO CC[C@@H]1CS[C@](C)([C@@H]2CCCO2)[NH2+]1 ZINC000306703503 350852541 /nfs/dbraw/zinc/85/25/41/350852541.db2.gz GTGFNGMVTMQELC-KXUCPTDWSA-N 1 0 201.335 1.997 10 0 BDAERO CC1(C)[C@H](O)CC[N@@H+]1[C@H]1CCCCC1=O ZINC000306675671 350827741 /nfs/dbraw/zinc/82/77/41/350827741.db2.gz TXPSBFAMABBGDK-GXSJLCMTSA-N 1 0 211.305 1.343 10 0 BDAERO CO[C@]1(C)CC[N@H+](C[C@@H]2CCCC2=O)C1 ZINC000306731580 350901102 /nfs/dbraw/zinc/90/11/02/350901102.db2.gz QUKGONIBPCVHBT-CMPLNLGQSA-N 1 0 211.305 1.466 10 0 BDAERO N[C@H](CC[NH3+])c1c(F)cccc1Br ZINC000306737583 350909057 /nfs/dbraw/zinc/90/90/57/350909057.db2.gz RLRDPZWVLFDAGR-MRVPVSSYSA-N 1 0 247.111 1.937 10 0 BDAERO OCC[NH+]1CCC(c2ccc(CO)cc2)CC1 ZINC000616619674 350927378 /nfs/dbraw/zinc/92/73/78/350927378.db2.gz PVLZREPDUFZWPK-UHFFFAOYSA-N 1 0 235.327 1.351 10 0 BDAERO C[C@@H]1CCC[C@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623091885 350875944 /nfs/dbraw/zinc/87/59/44/350875944.db2.gz YRXZMQGTDPWADK-OLZOCXBDSA-N 1 0 228.380 1.421 10 0 BDAERO C[NH2+][C@@H](C)c1ncncc1Br ZINC000306718115 350878119 /nfs/dbraw/zinc/87/81/19/350878119.db2.gz IGBWAIQMEKTMOW-YFKPBYRVSA-N 1 0 216.082 1.520 10 0 BDAERO [NH3+]CCc1nnc([C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000250626717 350883515 /nfs/dbraw/zinc/88/35/15/350883515.db2.gz BQKNDXKAMFLGCD-RNLVFQAGSA-N 1 0 209.318 1.553 10 0 BDAERO [NH3+][C@@H]1CCCN(CC[C@H]2CCCC2=O)C1 ZINC000250654853 350884185 /nfs/dbraw/zinc/88/41/85/350884185.db2.gz NOLRCAMIIKMOOJ-GHMZBOCLSA-N 1 0 210.321 1.169 10 0 BDAERO CC(C)(C)NC(=[NH2+])N1CCSCC1 ZINC000052037283 350890945 /nfs/dbraw/zinc/89/09/45/350890945.db2.gz QFNHMYXAAOAGOG-UHFFFAOYSA-N 1 0 201.339 1.358 10 0 BDAERO COC[C@@H](C)[NH2+][C@H](C)c1ccc(C(=O)OC)o1 ZINC000222441357 350960463 /nfs/dbraw/zinc/96/04/63/350960463.db2.gz WNDPHGINCHDYTC-RKDXNWHRSA-N 1 0 241.287 1.752 10 0 BDAERO O[C@@H](c1ccc(Cl)s1)C1C[NH2+]C1 ZINC000306752360 350963227 /nfs/dbraw/zinc/96/32/27/350963227.db2.gz LBRGJBAGHISWDH-MRVPVSSYSA-N 1 0 203.694 1.654 10 0 BDAERO C[C@@H]([NH3+])C[S@](=O)C1CCCCCC1 ZINC000129038413 350970501 /nfs/dbraw/zinc/97/05/01/350970501.db2.gz RPKAFUKVYDKGGA-NOZJJQNGSA-N 1 0 203.351 1.805 10 0 BDAERO C[NH2+]C[C@H]1CCO[C@@H]1c1nc(C)cs1 ZINC000159717122 350978558 /nfs/dbraw/zinc/97/85/58/350978558.db2.gz QLPOMYKKXKOVRE-BDAKNGLRSA-N 1 0 212.318 1.749 10 0 BDAERO Nc1ncc([C@]2(F)CC[C@H]([NH3+])C2)s1 ZINC000159899051 351018884 /nfs/dbraw/zinc/01/88/84/351018884.db2.gz IZQYGNUCIPBWDS-XNCJUZBTSA-N 1 0 201.270 1.401 10 0 BDAERO CC(C)[C@@](F)(C[NH3+])c1cnc(N)s1 ZINC000159900613 351018892 /nfs/dbraw/zinc/01/88/92/351018892.db2.gz RVVLHLFSPHQJQP-QMMMGPOBSA-N 1 0 203.286 1.505 10 0 BDAERO Nc1ncc([C@]2(F)CCC[C@@H]([NH3+])C2)s1 ZINC000159901253 351023429 /nfs/dbraw/zinc/02/34/29/351023429.db2.gz ZNMPPSHUWFYMLK-MUWHJKNJSA-N 1 0 215.297 1.791 10 0 BDAERO [NH3+]C[C@@H](O)Cc1cccc(F)c1Cl ZINC000159905982 351025197 /nfs/dbraw/zinc/02/51/97/351025197.db2.gz VBCQEPMWHOPPHU-ZETCQYMHSA-N 1 0 203.644 1.341 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336698736 351040738 /nfs/dbraw/zinc/04/07/38/351040738.db2.gz ORGFORNBCUBIEY-WOPDTQHZSA-N 1 0 228.405 1.812 10 0 BDAERO CNc1cccc([C@H]2CCCN(CC[NH3+])C2)c1 ZINC000616621502 351041119 /nfs/dbraw/zinc/04/11/19/351041119.db2.gz QGTRNNNDYXBILT-ZDUSSCGKSA-N 1 0 233.359 1.866 10 0 BDAERO Cc1ncc(C(=O)[C@@H]2CCC[C@H]2[NH3+])n1C ZINC000306807647 351060721 /nfs/dbraw/zinc/06/07/21/351060721.db2.gz MXZBJEFSVOKUJV-RKDXNWHRSA-N 1 0 207.277 1.039 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCCSC2)[nH]1 ZINC000129233602 351014176 /nfs/dbraw/zinc/01/41/76/351014176.db2.gz UYCCTWPUWBSDQS-VIFPVBQESA-N 1 0 211.334 1.703 10 0 BDAERO [NH3+]CCN1CCCC[C@@H](c2ccno2)C1 ZINC000616629803 351100888 /nfs/dbraw/zinc/10/08/88/351100888.db2.gz QIAZIPNFRQQKLU-SNVBAGLBSA-N 1 0 209.293 1.203 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccccn2)C1 ZINC000616631711 351108602 /nfs/dbraw/zinc/10/86/02/351108602.db2.gz BIEXOUAQLRLFOM-GFCCVEGCSA-N 1 0 219.332 1.826 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccc(CO)cc2)C1 ZINC000616632504 351112546 /nfs/dbraw/zinc/11/25/46/351112546.db2.gz SCTBQTQMNCTZSM-CQSZACIVSA-N 1 0 248.370 1.924 10 0 BDAERO c1ncc([C@H]2C[N@H+](Cc3ccccc3)CCN2)o1 ZINC000616632927 351113493 /nfs/dbraw/zinc/11/34/93/351113493.db2.gz DWSBMZPGJAFOCM-CYBMUJFWSA-N 1 0 243.310 1.821 10 0 BDAERO c1nocc1[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000616636068 351123298 /nfs/dbraw/zinc/12/32/98/351123298.db2.gz NINVVJPTONLRDF-AWEZNQCLSA-N 1 0 243.310 1.821 10 0 BDAERO OCC[N@@H+]1CCCCC[C@H]1c1ncco1 ZINC000616625917 351086703 /nfs/dbraw/zinc/08/67/03/351086703.db2.gz YBFWAVYSOVSLIP-JTQLQIEISA-N 1 0 210.277 1.584 10 0 BDAERO OCC[N@@H+]1CCCCC[C@H]1c1ccccn1 ZINC000616625928 351086959 /nfs/dbraw/zinc/08/69/59/351086959.db2.gz YOYSKTGFZSBJIG-ZDUSSCGKSA-N 1 0 220.316 1.991 10 0 BDAERO CC(=O)Nc1ccccc1[C@@H]1CC[N@H+](CCO)C1 ZINC000616626057 351087395 /nfs/dbraw/zinc/08/73/95/351087395.db2.gz QADMQBDWTYRHLQ-GFCCVEGCSA-N 1 0 248.326 1.427 10 0 BDAERO CC(C)[C@](C)(O)C[NH+]1CCSCC1 ZINC000167965357 351088674 /nfs/dbraw/zinc/08/86/74/351088674.db2.gz IYRXBKMHDITKHS-SNVBAGLBSA-N 1 0 203.351 1.442 10 0 BDAERO OCC[N@@H+]1CCCCC[C@@H]1c1ccno1 ZINC000616625070 351092956 /nfs/dbraw/zinc/09/29/56/351092956.db2.gz VLWOXYZEQZGLPO-SNVBAGLBSA-N 1 0 210.277 1.584 10 0 BDAERO [NH3+]CCN1CCCCC[C@H]1c1ncccn1 ZINC000616625627 351093894 /nfs/dbraw/zinc/09/38/94/351093894.db2.gz RGHBTQFLPOXDTJ-NSHDSACASA-N 1 0 220.320 1.352 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2cccc(CO)c2)CC1 ZINC000616629220 351100064 /nfs/dbraw/zinc/10/00/64/351100064.db2.gz UGOYZLCFRSDDKG-CQSZACIVSA-N 1 0 248.370 1.707 10 0 BDAERO CNC(=[NH2+])N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000306832429 351145130 /nfs/dbraw/zinc/14/51/30/351145130.db2.gz MEFZFOULJWRSLJ-LBPRGKRZSA-N 1 0 246.358 1.347 10 0 BDAERO CNC(=[NH2+])N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000306832428 351145437 /nfs/dbraw/zinc/14/54/37/351145437.db2.gz MEFZFOULJWRSLJ-GFCCVEGCSA-N 1 0 246.358 1.347 10 0 BDAERO Brc1cccnc1C[C@H]1C=CC[NH2+]1 ZINC000306839614 351149354 /nfs/dbraw/zinc/14/93/54/351149354.db2.gz ZJXHMZBDFFFZIO-MRVPVSSYSA-N 1 0 239.116 1.915 10 0 BDAERO Clc1ncc(CSC2=[NH+]CCN2)s1 ZINC000306850236 351159921 /nfs/dbraw/zinc/15/99/21/351159921.db2.gz OLELNAVAESCGFX-UHFFFAOYSA-N 1 0 233.749 1.989 10 0 BDAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1CCO ZINC000616644696 351162183 /nfs/dbraw/zinc/16/21/83/351162183.db2.gz GKUUZDGXPYWCQO-SNVBAGLBSA-N 1 0 201.310 1.258 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccno1 ZINC000616644919 351165633 /nfs/dbraw/zinc/16/56/33/351165633.db2.gz JONJYACDDHAUOX-JTQLQIEISA-N 1 0 210.277 1.846 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1cccc(C(N)=O)c1 ZINC000616650004 351171993 /nfs/dbraw/zinc/17/19/93/351171993.db2.gz UNUDOJGICBIUKE-LBPRGKRZSA-N 1 0 234.299 1.179 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1ccccc1CO ZINC000616650163 351173667 /nfs/dbraw/zinc/17/36/67/351173667.db2.gz YUPMPUVNIQZMCG-ZDUSSCGKSA-N 1 0 221.300 1.572 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1ccccc1C(N)=O ZINC000616647571 351174116 /nfs/dbraw/zinc/17/41/16/351174116.db2.gz NKZZHKXZNHDEEJ-GFCCVEGCSA-N 1 0 234.299 1.179 10 0 BDAERO OCCc1cccc([C@@H]2COCCC[NH2+]2)c1 ZINC000616647887 351175042 /nfs/dbraw/zinc/17/50/42/351175042.db2.gz OIZCFBPTLHHXMG-ZDUSSCGKSA-N 1 0 221.300 1.272 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@H](n2ccnc2)C1 ZINC000616648083 351175618 /nfs/dbraw/zinc/17/56/18/351175618.db2.gz OIOOPMQNWJVFCF-JTQLQIEISA-N 1 0 209.293 1.512 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2ncc[nH]2)C1 ZINC000616649407 351178478 /nfs/dbraw/zinc/17/84/78/351178478.db2.gz IJOJFKRXYRWSBU-JTQLQIEISA-N 1 0 209.293 1.582 10 0 BDAERO OCC[N@@H+]1CCCO[C@H](c2ccccc2F)C1 ZINC000616649487 351179075 /nfs/dbraw/zinc/17/90/75/351179075.db2.gz KRSKMRXZCIHOCC-ZDUSSCGKSA-N 1 0 239.290 1.581 10 0 BDAERO CC(=O)Nc1ccc([C@H]2C[NH2+]CCCO2)cc1 ZINC000616650916 351180924 /nfs/dbraw/zinc/18/09/24/351180924.db2.gz GXKKVNMJTMPPKV-CYBMUJFWSA-N 1 0 234.299 1.696 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](Nc2ccccn2)C1 ZINC000616653998 351194275 /nfs/dbraw/zinc/19/42/75/351194275.db2.gz IKGKATYDQQOTQX-GFCCVEGCSA-N 1 0 235.331 1.340 10 0 BDAERO C[N@@H+]1CCCO[C@@H](c2ccc(N)cc2)C1 ZINC000616652485 351185328 /nfs/dbraw/zinc/18/53/28/351185328.db2.gz NBAVNFVXBBICDU-GFCCVEGCSA-N 1 0 206.289 1.662 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2conn2)C1 ZINC000616652716 351185882 /nfs/dbraw/zinc/18/58/82/351185882.db2.gz JBFKVBXYHXJPIH-SNVBAGLBSA-N 1 0 225.292 1.632 10 0 BDAERO CO[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616652642 351186377 /nfs/dbraw/zinc/18/63/77/351186377.db2.gz MVHFXGIBTAPUGQ-ZDUSSCGKSA-N 1 0 221.300 1.881 10 0 BDAERO OCc1ccccc1[C@@H]1C[NH2+]CCCO1 ZINC000616653411 351189771 /nfs/dbraw/zinc/18/97/71/351189771.db2.gz VRYQCZDESPGVTH-LBPRGKRZSA-N 1 0 207.273 1.230 10 0 BDAERO CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616652323 351190701 /nfs/dbraw/zinc/19/07/01/351190701.db2.gz VFBHCJNZBKXWAQ-CQSZACIVSA-N 1 0 248.326 1.371 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cccnn1 ZINC000616637478 351133144 /nfs/dbraw/zinc/13/31/44/351133144.db2.gz NILYGHPPAXDBSY-LLVKDONJSA-N 1 0 220.320 1.221 10 0 BDAERO CNc1ccccc1[C@H]1C[NH2+]CCN1C ZINC000616637804 351134076 /nfs/dbraw/zinc/13/40/76/351134076.db2.gz RJYOYSOMYJZIDM-GFCCVEGCSA-N 1 0 205.305 1.304 10 0 BDAERO C[N@H+](CCc1nccs1)CC1(O)CCC1 ZINC000336648832 191133805 /nfs/dbraw/zinc/13/38/05/191133805.db2.gz PSFXQXIVCHKIMY-UHFFFAOYSA-N 1 0 226.345 1.532 10 0 BDAERO [NH3+]CCN1CC[C@H](c2ncco2)c2ccccc21 ZINC000616675002 351242331 /nfs/dbraw/zinc/24/23/31/351242331.db2.gz IIWXPRUTIKLAJY-LBPRGKRZSA-N 1 0 243.310 1.975 10 0 BDAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000616678857 351249504 /nfs/dbraw/zinc/24/95/04/351249504.db2.gz NLEVUQOERHWAKU-LBPRGKRZSA-N 1 0 218.300 1.480 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cnco1 ZINC000616678976 351249628 /nfs/dbraw/zinc/24/96/28/351249628.db2.gz AJVVBIIGXIUKRB-AWEZNQCLSA-N 1 0 243.310 1.581 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1conn1 ZINC000616682110 351252265 /nfs/dbraw/zinc/25/22/65/351252265.db2.gz AMNUQURBSBNXCR-LBPRGKRZSA-N 1 0 245.286 1.002 10 0 BDAERO NC1=[NH+][C@@H](c2cccnc2Cl)COC1 ZINC000306870878 351264520 /nfs/dbraw/zinc/26/45/20/351264520.db2.gz UEDZGUSABRZZPR-SSDOTTSWSA-N 1 0 211.652 1.164 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1C(F)F ZINC000616683031 351253440 /nfs/dbraw/zinc/25/34/40/351253440.db2.gz BDTJFLJAFKBENF-SNVBAGLBSA-N 1 0 227.258 1.511 10 0 BDAERO [NH3+]CCN1C[C@H](c2cnno2)Nc2ccccc21 ZINC000616683431 351254235 /nfs/dbraw/zinc/25/42/35/351254235.db2.gz GTZBFGRTYKXWON-SNVBAGLBSA-N 1 0 245.286 1.002 10 0 BDAERO CC(C)N1CCOCC[C@H]1c1ncco1 ZINC000616657222 351197938 /nfs/dbraw/zinc/19/79/38/351197938.db2.gz SKMRXRBGZQWALQ-JTQLQIEISA-N 1 0 210.277 1.846 10 0 BDAERO CNc1ccccc1[C@@H]1CCOCC[NH2+]1 ZINC000616657541 351199140 /nfs/dbraw/zinc/19/91/40/351199140.db2.gz CSGLZODLJUCRNR-LBPRGKRZSA-N 1 0 206.289 1.779 10 0 BDAERO OCCc1ccccc1[C@@H]1CCOCC[NH2+]1 ZINC000616657461 351199151 /nfs/dbraw/zinc/19/91/51/351199151.db2.gz BARKOKJUJOTJMY-ZDUSSCGKSA-N 1 0 221.300 1.272 10 0 BDAERO CN(C)[C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616658547 351204593 /nfs/dbraw/zinc/20/45/93/351204593.db2.gz AJLNNAWYTFHSSZ-AWEZNQCLSA-N 1 0 234.343 1.449 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ncccn2)C1 ZINC000616658959 351204986 /nfs/dbraw/zinc/20/49/86/351204986.db2.gz AJRKIHMGTBYKIW-NSHDSACASA-N 1 0 235.331 1.691 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2cn[nH]c2)C1 ZINC000616659303 351207010 /nfs/dbraw/zinc/20/70/10/351207010.db2.gz ILEGATDTAGAZJG-LLVKDONJSA-N 1 0 209.293 1.234 10 0 BDAERO c1cc2ccc([C@H]3C[NH2+]CCOC3)cc2nn1 ZINC000616661566 351210627 /nfs/dbraw/zinc/21/06/27/351210627.db2.gz VABKIABLBSWUJR-LBPRGKRZSA-N 1 0 229.283 1.333 10 0 BDAERO CC(=O)[C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616660708 351212885 /nfs/dbraw/zinc/21/28/85/351212885.db2.gz OFWDOQUBDNHHES-AWEZNQCLSA-N 1 0 233.311 1.724 10 0 BDAERO CCOC(=O)c1cccc([C@H]2C[NH2+]CCOC2)c1 ZINC000616660751 351212898 /nfs/dbraw/zinc/21/28/98/351212898.db2.gz OIZFHLGRNDFGLV-ZDUSSCGKSA-N 1 0 249.310 1.567 10 0 BDAERO C[N@@H+]1CCOC[C@H](c2ccccc2CO)C1 ZINC000616661013 351213913 /nfs/dbraw/zinc/21/39/13/351213913.db2.gz ZBSIRGKYTDAPOS-GFCCVEGCSA-N 1 0 221.300 1.225 10 0 BDAERO CC[N@@H+]1CCOC[C@@H](Nc2ccccn2)C1 ZINC000616662169 351217827 /nfs/dbraw/zinc/21/78/27/351217827.db2.gz XDHBNLWEBQFGHI-NSHDSACASA-N 1 0 221.304 1.214 10 0 BDAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1cnno1 ZINC000616667511 351224162 /nfs/dbraw/zinc/22/41/62/351224162.db2.gz CPNZVBUQDBKZKA-GFCCVEGCSA-N 1 0 244.298 1.522 10 0 BDAERO Cc1nsc(SC(C)(C)C[NH3+])n1 ZINC000168072526 351286268 /nfs/dbraw/zinc/28/62/68/351286268.db2.gz BLWCZBUSLLWZHA-UHFFFAOYSA-N 1 0 203.336 1.676 10 0 BDAERO Nc1cccc(-c2ccc(CC[NH3+])cc2)n1 ZINC000137070663 351290423 /nfs/dbraw/zinc/29/04/23/351290423.db2.gz IEXLTLFFAZEUTQ-UHFFFAOYSA-N 1 0 213.284 1.832 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cccs1 ZINC000063174090 351268990 /nfs/dbraw/zinc/26/89/90/351268990.db2.gz OYBQNCCRBORULH-SFYZADRCSA-N 1 0 210.302 1.358 10 0 BDAERO C[C@H](N)[C@@H]1CCCC[N@@H+]1[C@@H]1CCSC1 ZINC000063191602 351274614 /nfs/dbraw/zinc/27/46/14/351274614.db2.gz DNTNHNLACRNFEQ-AXFHLTTASA-N 1 0 214.378 1.694 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(F)(F)F ZINC000063192243 351274688 /nfs/dbraw/zinc/27/46/88/351274688.db2.gz BRIUCVLKHNPYMT-NKWVEPMBSA-N 1 0 224.226 1.277 10 0 BDAERO C[C@@H]1CN(C(=[NH2+])NCc2ccccc2)[C@@H](C)CO1 ZINC000306969236 351386683 /nfs/dbraw/zinc/38/66/83/351386683.db2.gz PFETZLSEDRVTFY-NWDGAFQWSA-N 1 0 247.342 1.820 10 0 BDAERO C[C@@H]1CN(C(=O)C(F)(F)F)[C@H](C)[C@@H](C)[NH2+]1 ZINC000404341227 351388688 /nfs/dbraw/zinc/38/86/88/351388688.db2.gz FUJHXSNPABNFHS-FSDSQADBSA-N 1 0 224.226 1.146 10 0 BDAERO Cl/C=C(/Cl)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000306979660 351397387 /nfs/dbraw/zinc/39/73/87/351397387.db2.gz DVXSCHFVAYRGDG-DNJSMNHWSA-N 1 0 221.131 1.599 10 0 BDAERO NC(=[NH2+])SCc1ncc(Cl)s1 ZINC000306924384 351342867 /nfs/dbraw/zinc/34/28/67/351342867.db2.gz JFFQUYOGKSXPQS-UHFFFAOYSA-N 1 0 207.711 1.923 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1ccc2ncccc2c1 ZINC000069050749 351347981 /nfs/dbraw/zinc/34/79/81/351347981.db2.gz DVXOEKPCZRHCGV-PRHODGIISA-N 1 0 202.257 1.615 10 0 BDAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000034938643 351352933 /nfs/dbraw/zinc/35/29/33/351352933.db2.gz GEKKPPJYPIXEKP-PWSUYJOCSA-N 1 0 242.363 1.448 10 0 BDAERO CC(C)CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000034938642 351352988 /nfs/dbraw/zinc/35/29/88/351352988.db2.gz UKHYEOSXLAEMNO-NWDGAFQWSA-N 1 0 242.363 1.306 10 0 BDAERO CCCCCNC(=O)[C@H](C)[NH2+]CC(C)C ZINC000034938734 351353534 /nfs/dbraw/zinc/35/35/34/351353534.db2.gz IMLKPHWVSALFGE-NSHDSACASA-N 1 0 214.353 1.927 10 0 BDAERO C[C@@H](O)[C@](C)(C[NH3+])CCOCc1ccccc1 ZINC000306940186 351362992 /nfs/dbraw/zinc/36/29/92/351362992.db2.gz OYWNIMVSCYVLKV-OCCSQVGLSA-N 1 0 237.343 1.939 10 0 BDAERO [NH3+][C@H]1CN(c2ccsc2Cl)C1=O ZINC000307021388 351429647 /nfs/dbraw/zinc/42/96/47/351429647.db2.gz UIAKIPHVVBOZKR-BYPYZUCNSA-N 1 0 202.666 1.075 10 0 BDAERO C[C@@H](CC[NH3+])Nc1ccc(Cl)nn1 ZINC000307027291 351435592 /nfs/dbraw/zinc/43/55/92/351435592.db2.gz ZSKOAYZIRJIQAR-LURJTMIESA-N 1 0 200.673 1.279 10 0 BDAERO CC1(C)SC[C@H]1N1CCC[C@@H]([NH3+])C1 ZINC000307071787 351465963 /nfs/dbraw/zinc/46/59/63/351465963.db2.gz XOVUJUOCAYJOHL-RKDXNWHRSA-N 1 0 200.351 1.304 10 0 BDAERO [NH3+]C1(CN2CCC=C(Br)C2)CCC1 ZINC000404433615 351446298 /nfs/dbraw/zinc/44/62/98/351446298.db2.gz RQNRYIISTMYPSQ-UHFFFAOYSA-N 1 0 245.164 1.852 10 0 BDAERO CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000307051684 351453636 /nfs/dbraw/zinc/45/36/36/351453636.db2.gz SYMYWBQYPSWNIN-CIUDSAMLSA-N 1 0 201.335 1.383 10 0 BDAERO C[C@@H]1CC[C@@]2(C[NH2+]1)NCC[C@H](C)S2 ZINC000307053317 351454480 /nfs/dbraw/zinc/45/44/80/351454480.db2.gz KMSPKJWDLQOLJM-KXUCPTDWSA-N 1 0 200.351 1.570 10 0 BDAERO O=C1NCCN1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307070206 351463846 /nfs/dbraw/zinc/46/38/46/351463846.db2.gz DSBDIYGKDJPRRM-CYBMUJFWSA-N 1 0 245.326 1.286 10 0 BDAERO C[C@@H](C(N)=[NH2+])N1CCC=C(Br)C1 ZINC000404371190 351411492 /nfs/dbraw/zinc/41/14/92/351411492.db2.gz ABARBZYWFXUCBP-LURJTMIESA-N 1 0 232.125 1.295 10 0 BDAERO C[C@H](C(N)=[NH2+])N1CCC=C(Br)C1 ZINC000404371195 351411833 /nfs/dbraw/zinc/41/18/33/351411833.db2.gz ABARBZYWFXUCBP-ZCFIWIBFSA-N 1 0 232.125 1.295 10 0 BDAERO CC1(C)[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1 ZINC000307144990 351497999 /nfs/dbraw/zinc/49/79/99/351497999.db2.gz ALPFLYBWYJCDDQ-LBPRGKRZSA-N 1 0 247.342 1.626 10 0 BDAERO CCC[N@@H+]1CC[C@]2(C1)N[C@@H](C)CS2 ZINC000307146020 351499331 /nfs/dbraw/zinc/49/93/31/351499331.db2.gz GVMJGCYIHLHVIX-UWVGGRQHSA-N 1 0 200.351 1.523 10 0 BDAERO C/C(=C\Cl)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000232008741 351505879 /nfs/dbraw/zinc/50/58/79/351505879.db2.gz YJARHYXZPIUHBV-KTXMEBRGSA-N 1 0 200.713 1.280 10 0 BDAERO Clc1ncc(CNC[C@@H]2CC[NH2+]C2)s1 ZINC000095070202 180602108 /nfs/dbraw/zinc/60/21/08/180602108.db2.gz HAHSJENMPRBAGR-SSDOTTSWSA-N 1 0 231.752 1.496 10 0 BDAERO CC(=O)C(C)(C)C[N@@H+]1CCC[C@H](O)CC1 ZINC000307090437 351472543 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CSc1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC000037483405 187768813 /nfs/dbraw/zinc/76/88/13/187768813.db2.gz MOFORYXNUAMWNB-SECBINFHSA-N 1 0 208.330 1.946 10 0 BDAERO COc1ccc([C@H](C)[NH3+])cc1Cn1cncn1 ZINC000037642511 187769707 /nfs/dbraw/zinc/76/97/07/187769707.db2.gz LDVXRSSCPBMFSC-VIFPVBQESA-N 1 0 232.287 1.355 10 0 BDAERO CC(C)N(Cc1cccnc1)C(=O)C[C@H](C)[NH3+] ZINC000037822218 187770735 /nfs/dbraw/zinc/77/07/35/187770735.db2.gz TVYXJWPIOQVWKT-NSHDSACASA-N 1 0 235.331 1.556 10 0 BDAERO C[C@@H](CO)C[NH2+]CCCOCc1ccccc1 ZINC000307587634 352662223 /nfs/dbraw/zinc/66/22/23/352662223.db2.gz UTIMHKMHJLTEDO-CYBMUJFWSA-N 1 0 237.343 1.811 10 0 BDAERO [NH3+]CCC(=O)Nc1ccsc1Cl ZINC000307589991 352664127 /nfs/dbraw/zinc/66/41/27/352664127.db2.gz GALLUVZSXHHAAD-UHFFFAOYSA-N 1 0 204.682 1.689 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1CCO[C@H](C)[C@@H]1C ZINC000307601613 352667797 /nfs/dbraw/zinc/66/77/97/352667797.db2.gz VCDDVEGYCZDYFD-AXFHLTTASA-N 1 0 200.326 1.079 10 0 BDAERO [NH3+][C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000307485408 352620872 /nfs/dbraw/zinc/62/08/72/352620872.db2.gz UIQMWXWZYAGYQA-UONOGXRCSA-N 1 0 243.310 1.720 10 0 BDAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCOC[C@@H]2O)C1 ZINC000725273289 538104720 /nfs/dbraw/zinc/10/47/20/538104720.db2.gz SQYVXCPZACOMTO-USZNOCQGSA-N 1 0 213.321 1.114 10 0 BDAERO COc1ccc(N)cc1C1CC[NH2+]CC1 ZINC000090548038 187785796 /nfs/dbraw/zinc/78/57/96/187785796.db2.gz BOOUMSZBAUJBHM-UHFFFAOYSA-N 1 0 206.289 1.744 10 0 BDAERO CC1(C)CSC[C@@](O)(C2C[NH2+]C2)C1 ZINC000307518460 352632775 /nfs/dbraw/zinc/63/27/75/352632775.db2.gz YLTCCSBCENPZNX-SNVBAGLBSA-N 1 0 201.335 1.100 10 0 BDAERO Cc1cc(O)cc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000638757806 352691437 /nfs/dbraw/zinc/69/14/37/352691437.db2.gz SNLPWTIVTWANNR-JTQLQIEISA-N 1 0 234.299 1.639 10 0 BDAERO FC(F)(F)c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000096876419 187802109 /nfs/dbraw/zinc/80/21/09/187802109.db2.gz FXQVOSDYXDCWAE-LURJTMIESA-N 1 0 235.209 1.631 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1nnc(C(F)F)s1 ZINC000309061365 187819448 /nfs/dbraw/zinc/81/94/48/187819448.db2.gz WDGOLTZFLNSQER-RXMQYKEDSA-N 1 0 236.291 1.871 10 0 BDAERO C(N[C@@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000232452725 352676921 /nfs/dbraw/zinc/67/69/21/352676921.db2.gz XZRAXUYDBRVMTN-NXEZZACHSA-N 1 0 200.351 1.224 10 0 BDAERO C/C(C[NH3+])=C1/CCC[C@H](S(C)(=O)=O)C1 ZINC000232458246 352678618 /nfs/dbraw/zinc/67/86/18/352678618.db2.gz YASBKXDCZQLLTK-DDXVTDLHSA-N 1 0 217.334 1.249 10 0 BDAERO C[C@H](CO)[N@@H+]1CCC[C@H]1[C@H]1CCCC1=O ZINC000307631849 352722938 /nfs/dbraw/zinc/72/29/38/352722938.db2.gz ZJBUZMYPTYIVDJ-MXWKQRLJSA-N 1 0 211.305 1.201 10 0 BDAERO CC1(C)NC(=O)CC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000309735743 187822433 /nfs/dbraw/zinc/82/24/33/187822433.db2.gz CHYJZXVECRQGCW-WDEREUQCSA-N 1 0 222.332 1.742 10 0 BDAERO CC(C)C[C@@](C)(C[NH3+])N1CCO[C@@H](C)C1 ZINC000019508095 187825429 /nfs/dbraw/zinc/82/54/29/187825429.db2.gz PQKOMWCJGRTMLJ-RYUDHWBXSA-N 1 0 214.353 1.471 10 0 BDAERO COc1ccccc1[C@@H](O)[C@@H]([NH3+])C(C)C ZINC000032012274 352735081 /nfs/dbraw/zinc/73/50/81/352735081.db2.gz CVZALOYYIBZOEH-NWDGAFQWSA-N 1 0 209.289 1.712 10 0 BDAERO C1COC2(CC[C@@H]([NH2+][C@H]3CCCSC3)C2)O1 ZINC000307648142 352737680 /nfs/dbraw/zinc/73/76/80/352737680.db2.gz OKCDHSFOXFDQLT-MNOVXSKESA-N 1 0 243.372 1.767 10 0 BDAERO C[C@@H]1CCC[C@H](C[NH3+])N1C1CSC1 ZINC000307663082 352748303 /nfs/dbraw/zinc/74/83/03/352748303.db2.gz IKXWFDBYQSLAQG-RKDXNWHRSA-N 1 0 200.351 1.304 10 0 BDAERO CCCNC(=O)NC[C@@H]1CCCC[NH2+]C1 ZINC000308846206 538105288 /nfs/dbraw/zinc/10/52/88/538105288.db2.gz LIYUJXHXBFTLNR-SNVBAGLBSA-N 1 0 213.325 1.085 10 0 BDAERO CC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000225350980 538105354 /nfs/dbraw/zinc/10/53/54/538105354.db2.gz CXMYPCQXPRHFHD-ZYHUDNBSSA-N 1 0 207.273 1.508 10 0 BDAERO Cn1cnnc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336693038 180794636 /nfs/dbraw/zinc/79/46/36/180794636.db2.gz KYOQPEYJZKNDII-NXEZZACHSA-N 1 0 226.299 1.433 10 0 BDAERO CCC(CC)C[NH2+][C@H]1CCOC[C@@H]1O ZINC000628466977 358473187 /nfs/dbraw/zinc/47/31/87/358473187.db2.gz LMUKMORXMXHFCD-QWRGUYRKSA-N 1 0 201.310 1.162 10 0 BDAERO CCCCCC[C@@](C)([NH2+]CCN(C)C)C(N)=O ZINC000037945896 168677872 /nfs/dbraw/zinc/67/78/72/168677872.db2.gz ONJRBYIDOIHMRG-CYBMUJFWSA-N 1 0 243.395 1.352 10 0 BDAERO Cc1cc(C[C@H]([NH3+])[C@H]2CCOC2)cs1 ZINC000307687992 352920939 /nfs/dbraw/zinc/92/09/39/352920939.db2.gz FPUIIVQGXROODM-QWRGUYRKSA-N 1 0 211.330 1.963 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC23CC3)C1 ZINC000638805158 352980050 /nfs/dbraw/zinc/98/00/50/352980050.db2.gz FRELGLZPAVSGRS-QJPTWQEYSA-N 1 0 236.359 1.810 10 0 BDAERO CC[C@H]([NH3+])c1ncncc1Br ZINC000306460905 353016438 /nfs/dbraw/zinc/01/64/38/353016438.db2.gz IIVFYKUSPJCFCY-LURJTMIESA-N 1 0 216.082 1.649 10 0 BDAERO O[C@@H](c1ccc(Cl)s1)[C@H]1C=CC[NH2+]1 ZINC000306725227 353036785 /nfs/dbraw/zinc/03/67/85/353036785.db2.gz KEBCWLRXGPLFJL-HZGVNTEJSA-N 1 0 215.705 1.963 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@](C)(CC)C1CC1 ZINC000638858320 353034540 /nfs/dbraw/zinc/03/45/40/353034540.db2.gz NNPCEEWEEQLGLG-ZYHUDNBSSA-N 1 0 212.337 1.809 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638858857 353035590 /nfs/dbraw/zinc/03/55/90/353035590.db2.gz WUZZAFCKTKYXGP-NZEXEKPDSA-N 1 0 209.333 1.926 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCC12CC2 ZINC000638830571 353009699 /nfs/dbraw/zinc/00/96/99/353009699.db2.gz FEHVLQTUEIILBE-GHMZBOCLSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CCS[C@@]2(CCOC[C@H]2C)[NH2+]1 ZINC000300950579 363200801 /nfs/dbraw/zinc/20/08/01/363200801.db2.gz FKZFAWBORNNTFS-OPRDCNLKSA-N 1 0 201.335 1.854 10 0 BDAERO C[C@H]1CN(C(=O)C2CC=CC2)C[C@H]1C[NH3+] ZINC000638901341 353062987 /nfs/dbraw/zinc/06/29/87/353062987.db2.gz JOTOVZIYHFSREE-GXSJLCMTSA-N 1 0 208.305 1.006 10 0 BDAERO C[NH2+]C[C@]1(C)CC[C@H](c2csnn2)O1 ZINC000307283781 353066484 /nfs/dbraw/zinc/06/64/84/353066484.db2.gz MLZKLDAGZPIIGU-BDAKNGLRSA-N 1 0 213.306 1.368 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCSCC2)C[C@@H]1C[NH3+] ZINC000638911873 353076822 /nfs/dbraw/zinc/07/68/22/353076822.db2.gz HPVURYYMFMSTHW-KOLCDFICSA-N 1 0 242.388 1.183 10 0 BDAERO C[C@H]1CN(C(=O)CC2=CCCCC2)C[C@@H]1C[NH3+] ZINC000638907082 353068161 /nfs/dbraw/zinc/06/81/61/353068161.db2.gz ZBDBGPXMBSMWHD-AAEUAGOBSA-N 1 0 236.359 1.930 10 0 BDAERO C[C@H]1CN(C(=O)CC2=CCCCC2)C[C@H]1C[NH3+] ZINC000638907084 353068341 /nfs/dbraw/zinc/06/83/41/353068341.db2.gz ZBDBGPXMBSMWHD-WCQYABFASA-N 1 0 236.359 1.930 10 0 BDAERO C[C@H]1CN(C(=O)C2CCSCC2)C[C@H]1C[NH3+] ZINC000638911872 353077103 /nfs/dbraw/zinc/07/71/03/353077103.db2.gz HPVURYYMFMSTHW-GXSJLCMTSA-N 1 0 242.388 1.183 10 0 BDAERO CCc1nc(CC[NH2+][C@H](C)C2CC2)no1 ZINC000336750562 353038471 /nfs/dbraw/zinc/03/84/71/353038471.db2.gz FAKAOMKDYDTATG-MRVPVSSYSA-N 1 0 209.293 1.563 10 0 BDAERO CCC(C)(C)CCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000638866147 353039762 /nfs/dbraw/zinc/03/97/62/353039762.db2.gz OFCSLHHHVQMVPM-GHMZBOCLSA-N 1 0 242.363 1.306 10 0 BDAERO NC1=[NH+][C@@H](c2ccncc2Cl)COC1 ZINC000306929986 353046088 /nfs/dbraw/zinc/04/60/88/353046088.db2.gz BSHIBLZWIBLNEW-MRVPVSSYSA-N 1 0 211.652 1.164 10 0 BDAERO C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1C[NH3+] ZINC000638888622 353050253 /nfs/dbraw/zinc/05/02/53/353050253.db2.gz NZCKGJMPTCTANO-JGVFFNPUSA-N 1 0 241.722 1.335 10 0 BDAERO Cc1cc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c(C)o1 ZINC000638884243 353051295 /nfs/dbraw/zinc/05/12/95/353051295.db2.gz GMCDGGNYIBPKPN-KWQFWETISA-N 1 0 236.315 1.563 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC000638884471 353051565 /nfs/dbraw/zinc/05/15/65/353051565.db2.gz HYDNLCVKOYOXJX-QWHCGFSZSA-N 1 0 246.354 1.970 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000638886014 353052742 /nfs/dbraw/zinc/05/27/42/353052742.db2.gz FESOQJMJXYSRQK-NDBYEHHHSA-N 1 0 238.375 1.866 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000638885911 353052754 /nfs/dbraw/zinc/05/27/54/353052754.db2.gz OVQSCIJXLJHKQC-KOLCDFICSA-N 1 0 236.290 1.493 10 0 BDAERO CCCCCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638888957 353053417 /nfs/dbraw/zinc/05/34/17/353053417.db2.gz YXKCCQDXBCEFEQ-QWRGUYRKSA-N 1 0 212.337 1.620 10 0 BDAERO CCc1ccccc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638893193 353054546 /nfs/dbraw/zinc/05/45/46/353054546.db2.gz MAMJYMFAMUDWFV-WCQYABFASA-N 1 0 246.354 1.916 10 0 BDAERO Cc1ncsc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638896215 353057328 /nfs/dbraw/zinc/05/73/28/353057328.db2.gz XUCDNAFHHDXQRN-APPZFPTMSA-N 1 0 239.344 1.118 10 0 BDAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCNC1 ZINC000307694127 353094410 /nfs/dbraw/zinc/09/44/10/353094410.db2.gz ZMHVMLMNLXACFD-AEJSXWLSSA-N 1 0 200.351 1.222 10 0 BDAERO C[C@@H]1SCC[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000307707856 353096160 /nfs/dbraw/zinc/09/61/60/353096160.db2.gz ZXHDGUZPOOFLCU-IUCAKERBSA-N 1 0 217.334 1.233 10 0 BDAERO CC[C@@H](C)N1C(=O)c2ccccc2[C@H]1C[NH3+] ZINC000536951516 323956459 /nfs/dbraw/zinc/95/64/59/323956459.db2.gz SEYLYKTUVASVHH-BXKDBHETSA-N 1 0 218.300 1.941 10 0 BDAERO CC[C@@H]1CC[NH2+][C@H]([C@](C)(F)[C@@H](C)N)C1 ZINC000307738217 353122256 /nfs/dbraw/zinc/12/22/56/353122256.db2.gz WHOXIXUPOIFJBN-CHWFTXMASA-N 1 0 202.317 1.840 10 0 BDAERO C[C@H](O)C[NH2+][C@H]1CSc2ccccc21 ZINC000129451402 353129420 /nfs/dbraw/zinc/12/94/20/353129420.db2.gz JTVZHUZEIBCAGH-WPRPVWTQSA-N 1 0 209.314 1.804 10 0 BDAERO C[C@@H](CO)Nc1c(N)c[nH+]cc1Cl ZINC000307757542 353130935 /nfs/dbraw/zinc/13/09/35/353130935.db2.gz LQNZZQGLCSGEFH-YFKPBYRVSA-N 1 0 201.657 1.110 10 0 BDAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)O1 ZINC000638943351 353141294 /nfs/dbraw/zinc/14/12/94/353141294.db2.gz ISEQNLCNGALKFN-LZQZFOIKSA-N 1 0 240.347 1.057 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)NC2CCC2)C1 ZINC000122923976 353144958 /nfs/dbraw/zinc/14/49/58/353144958.db2.gz TYXVNQLOJWAICV-NSHDSACASA-N 1 0 225.336 1.322 10 0 BDAERO C[NH2+][C@@H]1CSC[C@H]1[C@H]1CCSC1 ZINC000405254784 353152176 /nfs/dbraw/zinc/15/21/76/353152176.db2.gz KCEGRLZHKGFEHQ-XHNCKOQMSA-N 1 0 203.376 1.691 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](O[C@H]2CCSC2)C1 ZINC000405325905 353188558 /nfs/dbraw/zinc/18/85/58/353188558.db2.gz XDJNAQGMZRZOMJ-UTLUCORTSA-N 1 0 201.335 1.778 10 0 BDAERO C[C@@H]1C[C@H]1c1cc2n(n1)[C@H](C[NH3+])CCN2 ZINC000300029886 538111389 /nfs/dbraw/zinc/11/13/89/538111389.db2.gz PMVZXRKKIFPFDS-HRDYMLBCSA-N 1 0 206.293 1.322 10 0 BDAERO C[C@@H](CC1CCC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638999305 353246497 /nfs/dbraw/zinc/24/64/97/353246497.db2.gz YVELNTAGEOQTQU-JFGNBEQYSA-N 1 0 224.348 1.537 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@]2(C)CCOC2)SC1 ZINC000229480977 353278562 /nfs/dbraw/zinc/27/85/62/353278562.db2.gz FUZJCTOSOGYOQH-SCZZXKLOSA-N 1 0 214.334 1.494 10 0 BDAERO Cn1ncnc1S[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000128081139 353282635 /nfs/dbraw/zinc/28/26/35/353282635.db2.gz CZGSAIWNTDMLHK-HTQZYQBOSA-N 1 0 212.322 1.177 10 0 BDAERO C[C@H]([NH3+])C(C)(C)NC(=O)NC(C)(C)C ZINC000128936497 353305120 /nfs/dbraw/zinc/30/51/20/353305120.db2.gz QUJKXTJRZUBRFI-ZETCQYMHSA-N 1 0 201.314 1.210 10 0 BDAERO C[C@H](CN(C)C(=O)[C@H]1C[C@H](F)C[NH2+]1)C(C)(C)C ZINC000639065745 353376619 /nfs/dbraw/zinc/37/66/19/353376619.db2.gz WMCOPJRTBQAPHP-OUAUKWLOSA-N 1 0 244.354 1.827 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H](C)COC(C)C)C1 ZINC000336774979 353429073 /nfs/dbraw/zinc/42/90/73/353429073.db2.gz XRHZJXMVYQQRST-STQMWFEESA-N 1 0 228.380 1.874 10 0 BDAERO C[C@@H](NCc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000571669479 353489476 /nfs/dbraw/zinc/48/94/76/353489476.db2.gz OKFBTGQLRZYAPB-GHMZBOCLSA-N 1 0 208.305 1.757 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC000309123793 491052458 /nfs/dbraw/zinc/05/24/58/491052458.db2.gz OVCQWMXSDLUVPD-GMTAPVOTSA-N 1 0 210.321 1.291 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(N)=O ZINC000192353348 353547996 /nfs/dbraw/zinc/54/79/96/353547996.db2.gz PFGWXBOCXKVISI-NWDGAFQWSA-N 1 0 248.326 1.623 10 0 BDAERO OC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000134806897 353517604 /nfs/dbraw/zinc/51/76/04/353517604.db2.gz GNWADYNRIUYLHK-HBNTYKKESA-N 1 0 215.362 1.633 10 0 BDAERO CC(C)[C@H](C)N(C)[C@@H]1COCC[C@H]1[NH3+] ZINC000252408716 363237817 /nfs/dbraw/zinc/23/78/17/363237817.db2.gz JJSZFWIZHBPKMX-HBNTYKKESA-N 1 0 200.326 1.079 10 0 BDAERO CN(C(=O)[C@@H]1CCCS1)[C@H]1CCC[NH2+]CC1 ZINC000231478486 353606634 /nfs/dbraw/zinc/60/66/34/353606634.db2.gz JSMRHPUBEOIJNH-QWRGUYRKSA-N 1 0 242.388 1.483 10 0 BDAERO CC(=O)Nc1ccc([C@@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000036906332 188468278 /nfs/dbraw/zinc/46/82/78/188468278.db2.gz TXAWBYNRZMQSJR-GXTWGEPZSA-N 1 0 248.326 1.678 10 0 BDAERO C[n+]1ccn(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000036827528 188468350 /nfs/dbraw/zinc/46/83/50/188468350.db2.gz WKPRDGQNSRZVGX-OLZOCXBDSA-N 1 0 248.350 1.935 10 0 BDAERO Cc1nn(Cc2ccccn2)c(C)c1C[C@@H](C)[NH3+] ZINC000062803249 188487115 /nfs/dbraw/zinc/48/71/15/188487115.db2.gz QSTSLAIRCUAYOU-SNVBAGLBSA-N 1 0 244.342 1.833 10 0 BDAERO Fc1cccc2c1C[C@@]1(C[NH+]=CN1)CC2 ZINC000013743709 181006749 /nfs/dbraw/zinc/00/67/49/181006749.db2.gz HLTXXGYZKSNOBQ-GFCCVEGCSA-N 1 0 204.248 1.685 10 0 BDAERO CN(c1cccc(N)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000053205881 188483128 /nfs/dbraw/zinc/48/31/28/188483128.db2.gz WUUWITUYFSXCRW-CYBMUJFWSA-N 1 0 219.332 1.799 10 0 BDAERO Fc1ccccc1OCC[NH2+]C[C@@H]1CCCO1 ZINC000041281769 181014632 /nfs/dbraw/zinc/01/46/32/181014632.db2.gz RVYIRZHYYJQQNZ-NSHDSACASA-N 1 0 239.290 1.973 10 0 BDAERO Fc1ccccc1-n1ccnc1N1CC[NH2+]CC1 ZINC000011920172 181009908 /nfs/dbraw/zinc/00/99/08/181009908.db2.gz BJCILBRYXOSJPP-UHFFFAOYSA-N 1 0 246.289 1.421 10 0 BDAERO CC(C)C[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000085790075 188498615 /nfs/dbraw/zinc/49/86/15/188498615.db2.gz JKLGJJYCKQVJML-RYUDHWBXSA-N 1 0 214.353 1.341 10 0 BDAERO C[C@H]1OC[C@@]2([NH2+][C@H](C)CCS2)[C@H]1C ZINC000405549375 353814220 /nfs/dbraw/zinc/81/42/20/353814220.db2.gz RIMSDKNUPHSEEN-RGOKHQFPSA-N 1 0 201.335 1.853 10 0 BDAERO Fc1cnc(NCC2CC[NH2+]CC2)nc1 ZINC000095072024 181018115 /nfs/dbraw/zinc/01/81/15/181018115.db2.gz BHVVGKNWWUCNHC-UHFFFAOYSA-N 1 0 210.256 1.027 10 0 BDAERO CO[C@@H](C)CNc1nc(N)ncc1Cl ZINC000224733163 363263380 /nfs/dbraw/zinc/26/33/80/363263380.db2.gz LAFNTWQHKZWJCJ-YFKPBYRVSA-N 1 0 216.672 1.159 10 0 BDAERO Fc1cnc(SCC2CC[NH2+]CC2)nc1 ZINC000095072058 181018476 /nfs/dbraw/zinc/01/84/76/181018476.db2.gz JQDNVSPROGGUFN-UHFFFAOYSA-N 1 0 227.308 1.707 10 0 BDAERO [NH3+]CCCc1ccc2c(c1)OC(F)(F)O2 ZINC000044279889 188507761 /nfs/dbraw/zinc/50/77/61/188507761.db2.gz VWSIJBOCYHCCJP-UHFFFAOYSA-N 1 0 215.199 1.899 10 0 BDAERO CN1C(=O)N(c2ccccc2)[C@H]2C[NH2+]CC[C@H]21 ZINC000606303106 353858504 /nfs/dbraw/zinc/85/85/04/353858504.db2.gz IXHLBCXJUCPTHJ-NEPJUHHUSA-N 1 0 231.299 1.289 10 0 BDAERO C[C@@H]1CC(C[NH2+]CC2(C)COC2)C[C@@H](C)O1 ZINC000336746127 188528496 /nfs/dbraw/zinc/52/84/96/188528496.db2.gz RBAXFVLHFLPBAP-GHMZBOCLSA-N 1 0 227.348 1.816 10 0 BDAERO C/C(=C/Cl)CN1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000308113814 354014418 /nfs/dbraw/zinc/01/44/18/354014418.db2.gz SYTNTTMSPHNGSO-SZGBIDFHSA-N 1 0 202.729 1.798 10 0 BDAERO CC(C)(C)[C@H]1CCC2(OCCO2)[C@@H]([NH3+])C1 ZINC000238856523 188548388 /nfs/dbraw/zinc/54/83/88/188548388.db2.gz WDPSIBMZAOPEPT-UWVGGRQHSA-N 1 0 213.321 1.903 10 0 BDAERO CC(C)(C)O[C@@H]1C[C@@H]([NH3+])[C@@H]1n1cccn1 ZINC000299805449 188574286 /nfs/dbraw/zinc/57/42/86/188574286.db2.gz OPUNPWADWNJUEF-BBBLOLIVSA-N 1 0 209.293 1.339 10 0 BDAERO C/C(=C/c1c(Br)cnn1C)[C@@H](C)[NH3+] ZINC000308141548 354325015 /nfs/dbraw/zinc/32/50/15/354325015.db2.gz UHKYFCKEDSZGCN-FXXDRWHHSA-N 1 0 244.136 1.933 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000344668496 354341570 /nfs/dbraw/zinc/34/15/70/354341570.db2.gz AWBAQQLWXAAOPG-RWMBFGLXSA-N 1 0 243.347 1.027 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]CC2CC(O)C2)CS1 ZINC000623748501 354934450 /nfs/dbraw/zinc/93/44/50/354934450.db2.gz RBQFQTGYWSPAJG-BZCXBAJXSA-N 1 0 215.362 1.631 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC1(O)CCC1 ZINC000335172498 354938249 /nfs/dbraw/zinc/93/82/49/354938249.db2.gz BLODNWOJMDWYHH-GHMZBOCLSA-N 1 0 213.321 1.401 10 0 BDAERO O[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]21)CC(F)(F)F ZINC000346443708 354940845 /nfs/dbraw/zinc/94/08/45/354940845.db2.gz KFDLVQUHCWNQEM-XHNCKOQMSA-N 1 0 223.238 1.784 10 0 BDAERO C[C@H](C[C@H]1COC(=[NH2+])N1)c1ccccc1 ZINC000083964295 355122360 /nfs/dbraw/zinc/12/23/60/355122360.db2.gz AGHKCLYLZRRYHN-KOLCDFICSA-N 1 0 204.273 1.894 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000040502365 358493925 /nfs/dbraw/zinc/49/39/25/358493925.db2.gz MZAQLWACZQLBIF-ZDUSSCGKSA-N 1 0 234.343 1.966 10 0 BDAERO Nc1nc(CC(=[NH2+])NC2CCCC2)cs1 ZINC000026470217 181184967 /nfs/dbraw/zinc/18/49/67/181184967.db2.gz WRNAVEMFUKKUOZ-UHFFFAOYSA-N 1 0 224.333 1.777 10 0 BDAERO C[NH2+][C@@H]1CO[C@H](C)[C@H]1[C@@H]1CCSC1 ZINC000405824010 355320271 /nfs/dbraw/zinc/32/02/71/355320271.db2.gz PIGFNCYAOQAGNE-KYXWUPHJSA-N 1 0 201.335 1.362 10 0 BDAERO NC(=[NH2+])CCCn1nnc(-c2ccccc2)n1 ZINC000019817946 181186285 /nfs/dbraw/zinc/18/62/85/181186285.db2.gz ZIVHMUGXYMDRIY-UHFFFAOYSA-N 1 0 230.275 1.056 10 0 BDAERO NC(=[NH2+])SC[C@H]1CN=C(N2CCCC2)S1 ZINC000004110865 181192849 /nfs/dbraw/zinc/19/28/49/181192849.db2.gz SQWIQKXKQHCUOP-SSDOTTSWSA-N 1 0 244.389 1.180 10 0 BDAERO NC(=[NH2+])c1ccc(Cn2ccnc2)cc1 ZINC000019440086 181195169 /nfs/dbraw/zinc/19/51/69/181195169.db2.gz WSCFWOQAZJMJLU-UHFFFAOYSA-N 1 0 200.245 1.215 10 0 BDAERO NC(=[NH2+])c1cccc(OC[C@H]2CCCO2)c1 ZINC000019471057 181195863 /nfs/dbraw/zinc/19/58/63/181195863.db2.gz JOVOYZLFXITWET-LLVKDONJSA-N 1 0 220.272 1.528 10 0 BDAERO C[C@@H]1C[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000389078709 355618691 /nfs/dbraw/zinc/61/86/91/355618691.db2.gz YIBUECNLVANENS-NQBHXWOUSA-N 1 0 240.347 1.060 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2cc(C)ncn2)C1 ZINC000040727432 358498585 /nfs/dbraw/zinc/49/85/85/358498585.db2.gz XDIYPJLRIGLDCA-LLVKDONJSA-N 1 0 220.320 1.681 10 0 BDAERO CCC[C@@H](C[NH2+]C1CC(CO)C1)OC ZINC000639335315 355765664 /nfs/dbraw/zinc/76/56/64/355765664.db2.gz PXVGRDSBYMKXQR-ILDUYXDCSA-N 1 0 201.310 1.162 10 0 BDAERO CCN(C(=O)[C@H](C)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000399145257 355768260 /nfs/dbraw/zinc/76/82/60/355768260.db2.gz HJNALSALVPZZIS-QWRGUYRKSA-N 1 0 226.364 1.879 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2cnn(C(C)C)c2)C1 ZINC000389139817 355730590 /nfs/dbraw/zinc/73/05/90/355730590.db2.gz GUCRXMMWLRRTGJ-CYBMUJFWSA-N 1 0 236.363 1.648 10 0 BDAERO NC(=O)C1([NH2+]Cc2cccs2)CCCC1 ZINC000037946493 181215192 /nfs/dbraw/zinc/21/51/92/181215192.db2.gz KFASSIQFXXJOPU-UHFFFAOYSA-N 1 0 224.329 1.636 10 0 BDAERO NC(=O)CCC[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000037636525 181222827 /nfs/dbraw/zinc/22/28/27/181222827.db2.gz OMHDETSSAVBAQU-SECBINFHSA-N 1 0 246.232 1.759 10 0 BDAERO NC(=O)CNCc1ccc(Cl)cc1Cl ZINC000022143297 181235189 /nfs/dbraw/zinc/23/51/89/181235189.db2.gz VZNYTXNGZVUKRP-UHFFFAOYSA-N 1 0 233.098 1.568 10 0 BDAERO NC(=O)C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036840680 181235521 /nfs/dbraw/zinc/23/55/21/181235521.db2.gz FVJYGODGGRKUOA-UHFFFAOYSA-N 1 0 238.718 1.661 10 0 BDAERO NC(=O)C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000036840669 181235933 /nfs/dbraw/zinc/23/59/33/181235933.db2.gz HOBKGIMLIFMBEM-UHFFFAOYSA-N 1 0 238.718 1.661 10 0 BDAERO NC(=O)CC[NH2+][C@H]1CSCc2ccccc21 ZINC000037262142 181225451 /nfs/dbraw/zinc/22/54/51/181225451.db2.gz ZPRMXVJDYMVDKE-NSHDSACASA-N 1 0 236.340 1.440 10 0 BDAERO OC1(C[N@@H+]2CCO[C@H](C3CC3)C2)CCC1 ZINC000336087724 134076898 /nfs/dbraw/zinc/07/68/98/134076898.db2.gz CMOHJYFQYBTMFE-NSHDSACASA-N 1 0 211.305 1.012 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC12CC2 ZINC000422867070 192492953 /nfs/dbraw/zinc/49/29/53/192492953.db2.gz RNLHBCRBJARCAF-IVZWLZJFSA-N 1 0 208.305 1.030 10 0 BDAERO NC(=O)[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000037514985 181265240 /nfs/dbraw/zinc/26/52/40/181265240.db2.gz IZJGKEJDMICAKG-ZDUSSCGKSA-N 1 0 226.279 1.839 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1F ZINC000037969002 181265311 /nfs/dbraw/zinc/26/53/11/181265311.db2.gz LLUBXURHTOBAOZ-LBPRGKRZSA-N 1 0 236.290 1.884 10 0 BDAERO NC(=O)[C@@H]1C[NH2+]C[C@H](c2ccc(F)cc2)C1 ZINC000082162828 181272980 /nfs/dbraw/zinc/27/29/80/181272980.db2.gz WKRMGQJZQSKDNJ-ZJUUUORDSA-N 1 0 222.263 1.004 10 0 BDAERO NC(=O)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000049814797 181279359 /nfs/dbraw/zinc/27/93/59/181279359.db2.gz ICHRALFZEAFPIS-VIFPVBQESA-N 1 0 210.302 1.370 10 0 BDAERO NC(=O)[C@H]1C[NH2+]C[C@H](c2cccc(F)c2)C1 ZINC000082163283 181283927 /nfs/dbraw/zinc/28/39/27/181283927.db2.gz YEPSPFNXYQYGDY-NXEZZACHSA-N 1 0 222.263 1.004 10 0 BDAERO C[C@H]([NH3+])CN1CCC(c2nccs2)CC1 ZINC000336170994 134114936 /nfs/dbraw/zinc/11/49/36/134114936.db2.gz UIYYPKXWAVQRRT-VIFPVBQESA-N 1 0 225.361 1.670 10 0 BDAERO NC(=O)[C@]1([NH2+]C2CCCCC2)CCCSC1 ZINC000061590458 181284448 /nfs/dbraw/zinc/28/44/48/181284448.db2.gz SUYXDZREWJPYNF-LBPRGKRZSA-N 1 0 242.388 1.660 10 0 BDAERO Cc1oncc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000421000438 192295256 /nfs/dbraw/zinc/29/52/56/192295256.db2.gz CPZPJFYEAYRXLZ-GZMMTYOYSA-N 1 0 210.277 1.328 10 0 BDAERO Cc1nccn1CCC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421014926 192301684 /nfs/dbraw/zinc/30/16/84/192301684.db2.gz KUTYERRIHGCYSZ-AAEUAGOBSA-N 1 0 237.347 1.427 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCOC1CCC1 ZINC000421020143 192305406 /nfs/dbraw/zinc/30/54/06/192305406.db2.gz NLOHAALHSJQRIW-WDEREUQCSA-N 1 0 213.321 1.401 10 0 BDAERO CC[C@H]([NH2+]Cc1ncn(C)n1)[C@@H]1CC1(C)C ZINC000397689071 363483647 /nfs/dbraw/zinc/48/36/47/363483647.db2.gz WMGTVVADAIIDNI-UWVGGRQHSA-N 1 0 222.336 1.729 10 0 BDAERO Cc1nccnc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000639676859 356585739 /nfs/dbraw/zinc/58/57/39/356585739.db2.gz ALLKJRMOIDVLRL-AVGNSLFASA-N 1 0 247.342 1.378 10 0 BDAERO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[C@H]1CO ZINC000378668372 356643429 /nfs/dbraw/zinc/64/34/29/356643429.db2.gz IAAQZFUMTLLCRF-INTQDDNPSA-N 1 0 211.330 1.650 10 0 BDAERO COc1ccc(Cl)cc1C1([NH3+])CC(O)C1 ZINC000675058338 538481325 /nfs/dbraw/zinc/48/13/25/538481325.db2.gz APHPWYFBRRVQBZ-UHFFFAOYSA-N 1 0 227.691 1.657 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@@]1(C)CCCO1 ZINC000389414445 356648756 /nfs/dbraw/zinc/64/87/56/356648756.db2.gz SQWWDUSABYUREB-CMPLNLGQSA-N 1 0 215.337 1.552 10 0 BDAERO CC[C@@]1(CNC(=O)[C@H](C)C(C)C)C[NH2+]CCO1 ZINC000675058815 538482388 /nfs/dbraw/zinc/48/23/88/538482388.db2.gz ACMGNPNJHQGQRA-YPMHNXCESA-N 1 0 242.363 1.163 10 0 BDAERO O=C(NC[C@]12C[C@H](C[NH2+]1)CCC2)C1CCCC1 ZINC000675051434 538474435 /nfs/dbraw/zinc/47/44/35/538474435.db2.gz KQXDZYJOKWHZEI-RISCZKNCSA-N 1 0 236.359 1.825 10 0 BDAERO CC(C)(C)NC(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051568 538474712 /nfs/dbraw/zinc/47/47/12/538474712.db2.gz NZQOJSHZRCKFRQ-MFKMUULPSA-N 1 0 239.363 1.616 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056081 538477538 /nfs/dbraw/zinc/47/75/38/538477538.db2.gz BEUXRCMBHBHNBM-UWVGGRQHSA-N 1 0 210.321 1.243 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675056680 538478730 /nfs/dbraw/zinc/47/87/30/538478730.db2.gz ODERRQOMDIVQOT-SRVKXCTJSA-N 1 0 239.363 1.424 10 0 BDAERO [NH3+]C[C@]12CCC[C@H]1N(C(=O)C1CCC1)CC2 ZINC000675056713 538478904 /nfs/dbraw/zinc/47/89/04/538478904.db2.gz VZMJHVRILDMBEZ-DGCLKSJQSA-N 1 0 222.332 1.516 10 0 BDAERO O=C1NCCC[NH2+][C@H]1CCc1ccccc1 ZINC000675068392 538496204 /nfs/dbraw/zinc/49/62/04/538496204.db2.gz PKAGWKXTUMNGRD-LBPRGKRZSA-N 1 0 218.300 1.097 10 0 BDAERO [NH3+]Cc1cc2cc(F)cc(F)c2[nH]c1=O ZINC000675068318 538496243 /nfs/dbraw/zinc/49/62/43/538496243.db2.gz WJWAIIHUCASMLL-UHFFFAOYSA-N 1 0 210.183 1.677 10 0 BDAERO COCC[C@H]1[NH2+]CCCn2cc(C)nc21 ZINC000675069918 538499005 /nfs/dbraw/zinc/49/90/05/538499005.db2.gz ZEBVXQIQBCJEAB-SNVBAGLBSA-N 1 0 209.293 1.262 10 0 BDAERO CC(C)CC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675069931 538499127 /nfs/dbraw/zinc/49/91/27/538499127.db2.gz JTLFTJTVYUVHLI-NNYUYHANSA-N 1 0 224.348 1.522 10 0 BDAERO COc1ccc(F)c2cc(C[NH3+])c(OC)nc12 ZINC000675069875 538499185 /nfs/dbraw/zinc/49/91/85/538499185.db2.gz LNRQBAGWJLNTPM-UHFFFAOYSA-N 1 0 236.246 1.850 10 0 BDAERO C[C@H](CC[NH3+])Nc1nnc(C(F)(F)F)s1 ZINC000168120336 134156241 /nfs/dbraw/zinc/15/62/41/134156241.db2.gz PERDVOMXRYUSCP-SCSAIBSYSA-N 1 0 240.254 1.706 10 0 BDAERO CCOC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000675070419 538501598 /nfs/dbraw/zinc/50/15/98/538501598.db2.gz XYZCHGAAHVRESQ-OUAUKWLOSA-N 1 0 227.304 1.097 10 0 BDAERO CC(C)CNC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675071001 538501752 /nfs/dbraw/zinc/50/17/52/538501752.db2.gz VGQNSROVPGUDFI-NNYUYHANSA-N 1 0 239.363 1.315 10 0 BDAERO CCC[C@@H](CCO)C[NH2+]Cc1cnn(C)c1C ZINC000163002342 202141626 /nfs/dbraw/zinc/14/16/26/202141626.db2.gz NSMCOMAXNZCEPN-LBPRGKRZSA-N 1 0 239.363 1.617 10 0 BDAERO CCC1CCC([C@@H](C[NH3+])C(=O)OC)CC1 ZINC000675072465 538503232 /nfs/dbraw/zinc/50/32/32/538503232.db2.gz CRHSVBYUMYKBKS-VQXHTEKXSA-N 1 0 213.321 1.951 10 0 BDAERO O[C@H]1C=C(c2ccc(F)c(Cl)c2)C[NH2+]C1 ZINC000675076390 538511581 /nfs/dbraw/zinc/51/15/81/538511581.db2.gz CHOPMXPUGDUYNL-VIFPVBQESA-N 1 0 227.666 1.827 10 0 BDAERO CCN1CC[NH+](CCCC(=O)C(C)C)CC1 ZINC000675075335 538509020 /nfs/dbraw/zinc/50/90/20/538509020.db2.gz MOTMXCMHQPCRKZ-UHFFFAOYSA-N 1 0 226.364 1.629 10 0 BDAERO C1C[C@@H](c2nc3c(s2)C[NH2+]CC3)CO1 ZINC000053335751 356667495 /nfs/dbraw/zinc/66/74/95/356667495.db2.gz AVAANVBRKWHETA-SSDOTTSWSA-N 1 0 210.302 1.293 10 0 BDAERO CC1(C(=O)NC[C@@H]2C[C@@H]3C[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000675069040 538497492 /nfs/dbraw/zinc/49/74/92/538497492.db2.gz GALGUAPSSYCIFN-GWOFURMSSA-N 1 0 222.332 1.276 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(F)cc1Cl ZINC000083557734 538513478 /nfs/dbraw/zinc/51/34/78/538513478.db2.gz KAOOWYDXAAFDBY-VIFPVBQESA-N 1 0 203.644 1.861 10 0 BDAERO O[C@@H]1C=C(c2ccc(Cl)cc2F)C[NH2+]C1 ZINC000675077871 538515226 /nfs/dbraw/zinc/51/52/26/538515226.db2.gz SOFDUFGBEXNCQK-SECBINFHSA-N 1 0 227.666 1.827 10 0 BDAERO Cc1cc(C2=C[C@H](O)C[NH2+]C2)cnc1C ZINC000675078596 538516109 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ZINC000237749149 358006959 /nfs/dbraw/zinc/00/69/59/358006959.db2.gz WUJGZVIDTPDENF-MRVPVSSYSA-N 1 0 237.130 1.002 10 0 BDAERO COCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000584577794 358092669 /nfs/dbraw/zinc/09/26/69/358092669.db2.gz XTMIAVCBEVUSLM-WDEREUQCSA-N 1 0 200.326 1.001 10 0 BDAERO C[NH2+][C@H](Cc1ccccc1)[C@H]1CCCO1 ZINC000038136360 358117478 /nfs/dbraw/zinc/11/74/78/358117478.db2.gz VGYYMPXHPORENV-CHWSQXEVSA-N 1 0 205.301 1.996 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 ZINC000038417850 358151442 /nfs/dbraw/zinc/15/14/42/358151442.db2.gz LNGAXYIDZZFUHG-NTZNESFSSA-N 1 0 232.327 1.943 10 0 BDAERO Cl/C=C/CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000171642458 134257775 /nfs/dbraw/zinc/25/77/75/134257775.db2.gz XZCOKHJPZFNQQD-YWNRKNDBSA-N 1 0 200.713 1.519 10 0 BDAERO Fc1ccc(-c2nnn3c2C[NH2+]CC3)c(F)c1 ZINC000584612587 358276252 /nfs/dbraw/zinc/27/62/52/358276252.db2.gz GQCPOMBQFJFNEV-UHFFFAOYSA-N 1 0 236.225 1.327 10 0 BDAERO CC1(C)OCC([NH3+])(c2ccc(F)cn2)CO1 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225.332 1.278 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnn(C)c1 ZINC000247119930 359214728 /nfs/dbraw/zinc/21/47/28/359214728.db2.gz MJKCMUCPYCVBCX-KBPBESRZSA-N 1 0 248.374 1.479 10 0 BDAERO CC1(C)OC[C@@H](Cc2nccs2)[C@H]1[NH3+] ZINC000306204337 359294451 /nfs/dbraw/zinc/29/44/51/359294451.db2.gz NPFQQHCATDPRFI-VXNVDRBHSA-N 1 0 212.318 1.438 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CN(CC(C)(C)C)CCO1 ZINC000169122255 359313735 /nfs/dbraw/zinc/31/37/35/359313735.db2.gz ZIWHWABIUMUCOQ-UWVGGRQHSA-N 1 0 200.326 1.081 10 0 BDAERO [NH3+][C@]1(c2ccncc2Br)CCOC1 ZINC000306214178 359314647 /nfs/dbraw/zinc/31/46/47/359314647.db2.gz WOMYJEYDZKWQTQ-SECBINFHSA-N 1 0 243.104 1.418 10 0 BDAERO CSC1(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000306228460 359362595 /nfs/dbraw/zinc/36/25/95/359362595.db2.gz HOMMAROVRWLPTC-IUCAKERBSA-N 1 0 200.351 1.161 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1CN1CCC(F)(F)C1 ZINC000306231246 359379506 /nfs/dbraw/zinc/37/95/06/359379506.db2.gz LWONENPWNAZJPE-BDAKNGLRSA-N 1 0 204.264 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Cc1cccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404288794 359446527 /nfs/dbraw/zinc/44/65/27/359446527.db2.gz ZCYLIKROAQDIGS-GJZGRUSLSA-N 1 0 246.354 1.558 10 0 BDAERO C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@@H]1CN ZINC000306257673 359472581 /nfs/dbraw/zinc/47/25/81/359472581.db2.gz QNAHTWXQHBWLFW-BBBLOLIVSA-N 1 0 200.351 1.161 10 0 BDAERO O[C@@H](c1ccsc1Cl)[C@@H]1C=CC[NH2+]1 ZINC000306300131 359541626 /nfs/dbraw/zinc/54/16/26/359541626.db2.gz LFINQMRYYBHONJ-YUMQZZPRSA-N 1 0 215.705 1.963 10 0 BDAERO CCCC[C@H](COC)[NH2+][C@@H]1C[C@H]1CO ZINC000379578247 359552620 /nfs/dbraw/zinc/55/26/20/359552620.db2.gz SZLOMBZBZTXWDP-HBNTYKKESA-N 1 0 201.310 1.162 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN(CC=C(Cl)Cl)C1 ZINC000403585484 359558621 /nfs/dbraw/zinc/55/86/21/359558621.db2.gz CTRTVYPGIPOIAT-JGVFFNPUSA-N 1 0 223.147 1.975 10 0 BDAERO O=C1NC2(CC[NH2+]CC2)c2ccccc2O1 ZINC000142444439 359570863 /nfs/dbraw/zinc/57/08/63/359570863.db2.gz BFHKGDBVSSKNAB-UHFFFAOYSA-N 1 0 218.256 1.367 10 0 BDAERO CC[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)OC ZINC000379652287 359574364 /nfs/dbraw/zinc/57/43/64/359574364.db2.gz GNPOKXZTSFMRNV-NXEZZACHSA-N 1 0 203.326 1.408 10 0 BDAERO C[NH2+]C(C)(C)[C@@H](O)C(F)(F)Br ZINC000306303673 359581338 /nfs/dbraw/zinc/58/13/38/359581338.db2.gz BJOWRXUXOKRQKQ-SCSAIBSYSA-N 1 0 232.068 1.333 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@H]1CCCOC1 ZINC000306326288 359610298 /nfs/dbraw/zinc/61/02/98/359610298.db2.gz MCNVENIDDVRMEQ-LBPRGKRZSA-N 1 0 233.315 1.480 10 0 BDAERO C[C@H]1COC[C@H](CC(=O)c2nccs2)[NH2+]1 ZINC000130355919 359611977 /nfs/dbraw/zinc/61/19/77/359611977.db2.gz YLRYAFVFZNYZCY-YUMQZZPRSA-N 1 0 226.301 1.093 10 0 BDAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322168547 259492758 /nfs/dbraw/zinc/49/27/58/259492758.db2.gz LKGHSLAMWHWEDT-ZYUZMQFOSA-N 1 0 219.350 1.054 10 0 BDAERO C[C@]1([C@@H]2OCCC[C@H]2[NH3+])CCCS1 ZINC000306338606 359638327 /nfs/dbraw/zinc/63/83/27/359638327.db2.gz IYKJIGHJKZNQPV-OPRDCNLKSA-N 1 0 201.335 1.778 10 0 BDAERO FC1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000306345320 359664209 /nfs/dbraw/zinc/66/42/09/359664209.db2.gz OHKNVQAZZJBPEF-KPPDAEKUSA-N 1 0 201.285 1.893 10 0 BDAERO C[N@H+](C[C@H]1COCCC1=O)C1CCCC1 ZINC000231306795 359732936 /nfs/dbraw/zinc/73/29/36/359732936.db2.gz KHVWKMJBRFBHSS-JTQLQIEISA-N 1 0 211.305 1.466 10 0 BDAERO CC[C@]1([C@@H]2CCOC2)[NH2+]CCCS1 ZINC000306410510 359795568 /nfs/dbraw/zinc/79/55/68/359795568.db2.gz LWCRSIRJAUNPCC-ZJUUUORDSA-N 1 0 201.335 1.856 10 0 BDAERO CC[C@@H]1C[NH+]=C(N[C@@H]2CCSC2)S1 ZINC000231359857 359915036 /nfs/dbraw/zinc/91/50/36/359915036.db2.gz JTRUXYMMGMXOJW-HTQZYQBOSA-N 1 0 216.375 1.963 10 0 BDAERO COc1ncc(Cl)c(N[C@H](C)CCC[NH3+])n1 ZINC000087799871 359931043 /nfs/dbraw/zinc/93/10/43/359931043.db2.gz QEIIBOXFRDRWCX-SSDOTTSWSA-N 1 0 244.726 1.678 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccncc1 ZINC000088077857 359936382 /nfs/dbraw/zinc/93/63/82/359936382.db2.gz IJSJCVHSQWGMDY-GXTWGEPZSA-N 1 0 231.343 1.750 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccncc1 ZINC000088077856 359936408 /nfs/dbraw/zinc/93/64/08/359936408.db2.gz IJSJCVHSQWGMDY-TZMCWYRMSA-N 1 0 231.343 1.750 10 0 BDAERO CCN(CCC[NH3+])c1ccc(NC(C)=O)cc1 ZINC000020224845 169828269 /nfs/dbraw/zinc/82/82/69/169828269.db2.gz NMAJGJBYRSQPRD-UHFFFAOYSA-N 1 0 235.331 1.820 10 0 BDAERO Cn1c(N)[nH+]c2c1CCN(Cc1ccccc1)C2 ZINC000306438435 359949864 /nfs/dbraw/zinc/94/98/64/359949864.db2.gz IHPGVLPSXCXQAK-UHFFFAOYSA-N 1 0 242.326 1.561 10 0 BDAERO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000088491217 359963621 /nfs/dbraw/zinc/96/36/21/359963621.db2.gz ODHSIEOCVKFXKJ-GHMZBOCLSA-N 1 0 212.337 1.585 10 0 BDAERO COCC[C@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090223432 360067016 /nfs/dbraw/zinc/06/70/16/360067016.db2.gz WZJYHBDLOFWDDU-GXSJLCMTSA-N 1 0 238.335 1.436 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090226283 360067025 /nfs/dbraw/zinc/06/70/25/360067025.db2.gz YJIQNJLGVMSFNS-GHMZBOCLSA-N 1 0 238.335 1.436 10 0 BDAERO COc1cccc(-n2cc(C[NH2+]C(C)C)nn2)c1 ZINC000090299590 360070237 /nfs/dbraw/zinc/07/02/37/360070237.db2.gz AHFYVXMIXJQQRP-UHFFFAOYSA-N 1 0 246.314 1.774 10 0 BDAERO C1=C(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)COCC1 ZINC000091979272 360139976 /nfs/dbraw/zinc/13/99/76/360139976.db2.gz KUGRLTLANMPGMI-UONOGXRCSA-N 1 0 237.343 1.977 10 0 BDAERO [NH3+][C@@H](c1cscn1)[C@@H]1CCSC1 ZINC000306483241 360151020 /nfs/dbraw/zinc/15/10/20/360151020.db2.gz MJXYYQNFWIBAHA-HTRCEHHLSA-N 1 0 200.332 1.896 10 0 BDAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091667150 360122301 /nfs/dbraw/zinc/12/23/01/360122301.db2.gz JOSTURGNGSQDKJ-MCIONIFRSA-N 1 0 240.391 1.875 10 0 BDAERO COC[C@H]1C[N@H+](CC(C)(C)C)CCO1 ZINC000093529608 360255702 /nfs/dbraw/zinc/25/57/02/360255702.db2.gz LQYOMHNGEIQMQY-SNVBAGLBSA-N 1 0 201.310 1.380 10 0 BDAERO CCC[C@@H](C(=O)N(C)CCOCC)[NH+](C)C ZINC000093031045 360211346 /nfs/dbraw/zinc/21/13/46/360211346.db2.gz DZNRKSZZKRDBSQ-NSHDSACASA-N 1 0 230.352 1.212 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2cn[nH]c2)C1 ZINC000309336100 491147987 /nfs/dbraw/zinc/14/79/87/491147987.db2.gz JCIYNSPJEAGGRT-CMPLNLGQSA-N 1 0 222.336 1.228 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2cn[nH]c2)C1 ZINC000309336112 491148009 /nfs/dbraw/zinc/14/80/09/491148009.db2.gz JCIYNSPJEAGGRT-ZYHUDNBSSA-N 1 0 222.336 1.228 10 0 BDAERO C[C@@H]1CC[NH2+]CCN1CC=C(Cl)Cl ZINC000403820607 360295167 /nfs/dbraw/zinc/29/51/67/360295167.db2.gz KULJPSRHBHQVJC-MRVPVSSYSA-N 1 0 223.147 1.989 10 0 BDAERO c1cn(CCCN[C@H]2CC[NH2+]C2)c2ccccc12 ZINC000094075380 360295436 /nfs/dbraw/zinc/29/54/36/360295436.db2.gz WPHDKOFOIFTBAN-AWEZNQCLSA-N 1 0 243.354 1.983 10 0 BDAERO Cc1c(C[NH2+]CCCOCC(C)C)cnn1C ZINC000093649341 360265501 /nfs/dbraw/zinc/26/55/01/360265501.db2.gz NKZQPMFXNWJDNN-UHFFFAOYSA-N 1 0 239.363 1.881 10 0 BDAERO c1cc(-c2noc([C@@H]3CC[NH2+]3)n2)cs1 ZINC000306514914 360338122 /nfs/dbraw/zinc/33/81/22/360338122.db2.gz BOHASMCOGIGOOV-ZETCQYMHSA-N 1 0 207.258 1.833 10 0 BDAERO Cc1nccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000094449304 360308639 /nfs/dbraw/zinc/30/86/39/360308639.db2.gz JHQBJEAFCMCDCR-SMDDNHRTSA-N 1 0 246.358 1.454 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519619 360311838 /nfs/dbraw/zinc/31/18/38/360311838.db2.gz GLFRLNVCTDULSE-CQSZACIVSA-N 1 0 244.338 1.932 10 0 BDAERO CC[C@H](CCO)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000094949513 360328685 /nfs/dbraw/zinc/32/86/85/360328685.db2.gz MXHWNDCZDBCEJX-XQHKEYJVSA-N 1 0 241.375 1.798 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CSC[C@H]2C)[nH]1 ZINC000306533300 360394342 /nfs/dbraw/zinc/39/43/42/360394342.db2.gz CSMQPZXJTFWYBH-XCBNKYQSSA-N 1 0 211.334 1.559 10 0 BDAERO C[NH+](C)[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000306536602 360395976 /nfs/dbraw/zinc/39/59/76/360395976.db2.gz QOGFKDZFHRUEMT-NXEZZACHSA-N 1 0 201.335 1.603 10 0 BDAERO C[C@@H]1CSC(N[C@H]2CS[C@H](C)C2)=[NH+]1 ZINC000306562537 360440704 /nfs/dbraw/zinc/44/07/04/360440704.db2.gz COZCESGNGMIZCR-BWZBUEFSSA-N 1 0 216.375 1.961 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2CS[C@H](C)C2)=[NH+]1 ZINC000306562540 360440864 /nfs/dbraw/zinc/44/08/64/360440864.db2.gz COZCESGNGMIZCR-PRJMDXOYSA-N 1 0 216.375 1.961 10 0 BDAERO C[C@@H]1CC[C@@]1(CN)[N@H+](C)[C@H]1CCSC1 ZINC000306562378 360440989 /nfs/dbraw/zinc/44/09/89/360440989.db2.gz ULDOSHULSVSWNZ-VWYCJHECSA-N 1 0 214.378 1.551 10 0 BDAERO NC(=O)c1ccc(N[C@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000063214836 181301213 /nfs/dbraw/zinc/30/12/13/181301213.db2.gz LCCCBXHQOAZJAY-MNOVXSKESA-N 1 0 248.330 1.252 10 0 BDAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1[C@H]1CCC(=O)C1 ZINC000306547515 360419156 /nfs/dbraw/zinc/41/91/56/360419156.db2.gz AXFAQZKMOHSRSY-JFGNBEQYSA-N 1 0 211.305 1.201 10 0 BDAERO C[C@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000306556474 360430339 /nfs/dbraw/zinc/43/03/39/360430339.db2.gz MOCSNWHNBOTWAZ-UTINFBMNSA-N 1 0 201.335 1.383 10 0 BDAERO CO[C@H]1C[NH2+][C@H](C(=O)c2csc(C)n2)C1 ZINC000306558441 360433157 /nfs/dbraw/zinc/43/31/57/360433157.db2.gz PFUQLUXLVSFDJU-SFYZADRCSA-N 1 0 226.301 1.011 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCF ZINC000306560384 360434971 /nfs/dbraw/zinc/43/49/71/360434971.db2.gz MHTOXXAGXNDOJX-QWRGUYRKSA-N 1 0 200.301 1.515 10 0 BDAERO Cc1nocc1CNC1=[NH+]C[C@H](C)S1 ZINC000306589054 360494520 /nfs/dbraw/zinc/49/45/20/360494520.db2.gz UASZASSNABLRFI-LURJTMIESA-N 1 0 211.290 1.564 10 0 BDAERO CCN(CCC[NH3+])C(=O)CCc1ccccc1 ZINC000036731112 169828512 /nfs/dbraw/zinc/82/85/12/169828512.db2.gz YUJGWAUCDTWPCW-UHFFFAOYSA-N 1 0 234.343 1.817 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@](=O)C[C@@H](C)[NH2+]1 ZINC000306575515 360464680 /nfs/dbraw/zinc/46/46/80/360464680.db2.gz JIDJFSIYFUPQBH-VYUIOLGVSA-N 1 0 203.351 1.532 10 0 BDAERO Cc1ncc(CNC2=[NH+]C[C@@H](C)S2)o1 ZINC000306575393 360465203 /nfs/dbraw/zinc/46/52/03/360465203.db2.gz JKVNBPRDMCYZQR-ZCFIWIBFSA-N 1 0 211.290 1.564 10 0 BDAERO Cc1cc(-c2cnn(CC[NH3+])c2)sn1 ZINC000306599036 360519772 /nfs/dbraw/zinc/51/97/72/360519772.db2.gz GWAUXASOUHKFCC-UHFFFAOYSA-N 1 0 208.290 1.274 10 0 BDAERO O[C@@]1(c2ccsn2)CC[N@@H+](C2CC2)C1 ZINC000306599507 360520548 /nfs/dbraw/zinc/52/05/48/360520548.db2.gz HRFGVFNPUBIIOZ-JTQLQIEISA-N 1 0 210.302 1.199 10 0 BDAERO Nc1c[nH+]cc(Cl)c1NCC(F)F ZINC000306600015 360520704 /nfs/dbraw/zinc/52/07/04/360520704.db2.gz IFZURIDPKPLKGA-UHFFFAOYSA-N 1 0 207.611 1.994 10 0 BDAERO CC(=O)C[C@H](C)[N@@H+]1CCC[C@@]12CCOC2 ZINC000306600841 360527958 /nfs/dbraw/zinc/52/79/58/360527958.db2.gz ACHWTBHIQIKMKQ-JQWIXIFHSA-N 1 0 211.305 1.609 10 0 BDAERO CO[C@@H]1CC[N@H+]([C@H](C)C(N)=S)[C@@H](C)C1 ZINC000300836946 360532418 /nfs/dbraw/zinc/53/24/18/360532418.db2.gz GAFKJUFSURAYJC-DJLDLDEBSA-N 1 0 216.350 1.160 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1CCCC(C)(C)C1 ZINC000069793344 360556436 /nfs/dbraw/zinc/55/64/36/360556436.db2.gz RBMOVOMSDWQJRQ-MRVPVSSYSA-N 1 0 200.351 1.783 10 0 BDAERO NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000071138666 181303287 /nfs/dbraw/zinc/30/32/87/181303287.db2.gz SJNWJRALKWVPTB-CHWSQXEVSA-N 1 0 248.326 1.179 10 0 BDAERO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2CCF)nn1 ZINC000309544527 491150969 /nfs/dbraw/zinc/15/09/69/491150969.db2.gz ZHMZSFCHCUSHLP-KOLCDFICSA-N 1 0 226.299 1.433 10 0 BDAERO C[C@H]1C[NH+]=C(N[C@@H]2CCC(F)(F)C2)N1 ZINC000306611774 360852587 /nfs/dbraw/zinc/85/25/87/360852587.db2.gz HDNJPEZSRWIIJV-NKWVEPMBSA-N 1 0 203.236 1.112 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(C)C)[C@H](C)C1 ZINC000309615504 491152557 /nfs/dbraw/zinc/15/25/57/491152557.db2.gz NUADJUPQLIMTKL-MDZLAQPJSA-N 1 0 226.364 1.877 10 0 BDAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000309598360 491152939 /nfs/dbraw/zinc/15/29/39/491152939.db2.gz WWDKIBOHNYUVIJ-JMJZKYOTSA-N 1 0 223.320 1.672 10 0 BDAERO COc1c(OC(F)(F)F)ccnc1C[NH3+] ZINC000238384089 360988420 /nfs/dbraw/zinc/98/84/20/360988420.db2.gz UBZFCUHSOOLXMJ-UHFFFAOYSA-N 1 0 222.166 1.448 10 0 BDAERO C[C@@H](C(N)=[NH2+])N1C[C@@H](C)S[C@@H](C)C1 ZINC000069908680 361015328 /nfs/dbraw/zinc/01/53/28/361015328.db2.gz YNYOYOAUXDIXQK-RNJXMRFFSA-N 1 0 201.339 1.137 10 0 BDAERO NC(=S)c1c[nH+]c2ccccc2c1N ZINC000036913895 181321973 /nfs/dbraw/zinc/32/19/73/181321973.db2.gz OTAHWBOXGQXMHE-UHFFFAOYSA-N 1 0 203.270 1.451 10 0 BDAERO CC(C)C[C@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000309687689 491154461 /nfs/dbraw/zinc/15/44/61/491154461.db2.gz ORLVUCYHEWUEPQ-LBPRGKRZSA-N 1 0 228.380 1.467 10 0 BDAERO [NH3+]C1(C(=O)N2C[C@H]3CCCCC[C@@H]32)CC1 ZINC000309591129 181323676 /nfs/dbraw/zinc/32/36/76/181323676.db2.gz ZJKIBRDGGKLDCW-ZJUUUORDSA-N 1 0 208.305 1.269 10 0 BDAERO C[NH2+]Cc1cn([C@@H]2CCS[C@@H]2C)cn1 ZINC000306618451 361194934 /nfs/dbraw/zinc/19/49/34/361194934.db2.gz SLPOXVNWKCRVRA-PSASIEDQSA-N 1 0 211.334 1.669 10 0 BDAERO [NH3+]C1(C(=O)N2C[C@H]3CCCCC[C@H]32)CC1 ZINC000309591125 181325060 /nfs/dbraw/zinc/32/50/60/181325060.db2.gz ZJKIBRDGGKLDCW-NXEZZACHSA-N 1 0 208.305 1.269 10 0 BDAERO CCCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159546492 361251302 /nfs/dbraw/zinc/25/13/02/361251302.db2.gz ROWDXHZMUPHUFZ-GFCCVEGCSA-N 1 0 212.337 1.825 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000379723342 361360315 /nfs/dbraw/zinc/36/03/15/361360315.db2.gz NHWIOYURZJFRKO-RWMBFGLXSA-N 1 0 240.391 1.610 10 0 BDAERO CC(C)OCCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000448549016 201215859 /nfs/dbraw/zinc/21/58/59/201215859.db2.gz ANZWCGKNVJJJPD-RYUDHWBXSA-N 1 0 215.337 1.647 10 0 BDAERO C[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000070601206 361584210 /nfs/dbraw/zinc/58/42/10/361584210.db2.gz JKXZACNKXWQEFH-NSHDSACASA-N 1 0 204.273 1.704 10 0 BDAERO [NH3+]C1CC(NC(=O)c2ccc(Cl)o2)C1 ZINC000036236955 181340360 /nfs/dbraw/zinc/34/03/60/181340360.db2.gz GTCGLOZJISXEJZ-UHFFFAOYSA-N 1 0 214.652 1.153 10 0 BDAERO [NH3+]C1CC(NC(=O)CSc2ccccc2)C1 ZINC000037670854 181340363 /nfs/dbraw/zinc/34/03/63/181340363.db2.gz IBWJUKHWGGOXLP-UHFFFAOYSA-N 1 0 236.340 1.385 10 0 BDAERO [NH3+]C1CCC(C(=O)N2CCCCC2)CC1 ZINC000037481810 181340517 /nfs/dbraw/zinc/34/05/17/181340517.db2.gz DHXCXYZXKDFBBK-UHFFFAOYSA-N 1 0 210.321 1.516 10 0 BDAERO [NH3+]C1CCC(OCc2ccncc2)CC1 ZINC000055142975 181342176 /nfs/dbraw/zinc/34/21/76/181342176.db2.gz GDTYLJXDRRDMSK-UHFFFAOYSA-N 1 0 206.289 1.868 10 0 BDAERO [NH3+]C1CCC(Nc2ncnc3nc[nH]c32)CC1 ZINC000051694154 181342212 /nfs/dbraw/zinc/34/22/12/181342212.db2.gz ITBFNYMDMUNNAT-UHFFFAOYSA-N 1 0 232.291 1.035 10 0 BDAERO CN1C(=O)CC[C@H]([NH3+])[C@H]1c1ccsc1 ZINC000070621690 361651125 /nfs/dbraw/zinc/65/11/25/361651125.db2.gz BLSFMJCUAAJDOZ-WCBMZHEXSA-N 1 0 210.302 1.369 10 0 BDAERO Cc1c(Cl)cnn1C[C@H]1CCCC[NH2+]1 ZINC000070630468 361683144 /nfs/dbraw/zinc/68/31/44/361683144.db2.gz AROUTXYDQWKSGW-SECBINFHSA-N 1 0 213.712 1.987 10 0 BDAERO C[C@H]1CC[C@@](C[NH3+])(N2CCSCC2)C1 ZINC000070644399 361693849 /nfs/dbraw/zinc/69/38/49/361693849.db2.gz QNFJCSZIWXHTKP-WDEREUQCSA-N 1 0 214.378 1.553 10 0 BDAERO CC[C@H](C)[N@@H+]1CCC[C@H](C(N)=S)C1 ZINC000070663671 361707956 /nfs/dbraw/zinc/70/79/56/361707956.db2.gz QZNAOLUJRKBLMB-IUCAKERBSA-N 1 0 200.351 1.783 10 0 BDAERO [NH3+]CC(=O)N(Cc1ccccc1)C1CCCC1 ZINC000032089650 181348806 /nfs/dbraw/zinc/34/88/06/181348806.db2.gz YQDKVRPWVDEENM-UHFFFAOYSA-N 1 0 232.327 1.917 10 0 BDAERO [NH3+][C@H]1CCC[C@](O)(C(F)(F)Br)C1 ZINC000225658113 363857713 /nfs/dbraw/zinc/85/77/13/363857713.db2.gz CUFYOFYEKJOWEO-NTSWFWBYSA-N 1 0 244.079 1.607 10 0 BDAERO O=C1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)N1 ZINC000070206092 541309224 /nfs/dbraw/zinc/30/92/24/541309224.db2.gz FMKXMWHFASNFSS-LLVKDONJSA-N 1 0 238.718 1.708 10 0 BDAERO CC(C)(C[NH3+])[C@@H](O)[C@@]1(C)CCCS1 ZINC000306328079 541312452 /nfs/dbraw/zinc/31/24/52/541312452.db2.gz VXSHABXRBPBFRE-PSASIEDQSA-N 1 0 203.351 1.618 10 0 BDAERO O=C(C[NH2+]C1CC1)NC1C2CC3CC(C2)CC1C3 ZINC000037388773 363926726 /nfs/dbraw/zinc/92/67/26/363926726.db2.gz PYIWFWRYQINFLH-UHFFFAOYSA-N 1 0 248.370 1.679 10 0 BDAERO CC[N@@H+]1CCOc2ccc(CO)cc2C1 ZINC000409422688 541317528 /nfs/dbraw/zinc/31/75/28/541317528.db2.gz JQASHMZZBXNNBC-UHFFFAOYSA-N 1 0 207.273 1.393 10 0 BDAERO CCC(CC)C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630359206 364076389 /nfs/dbraw/zinc/07/63/89/364076389.db2.gz DQXKLKWKRSFQAI-WCQYABFASA-N 1 0 242.363 1.387 10 0 BDAERO CO[C@H]1C[N@H+](CCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630356692 364078014 /nfs/dbraw/zinc/07/80/14/364078014.db2.gz TVWSCADFCNKHTD-NEPJUHHUSA-N 1 0 214.353 1.471 10 0 BDAERO CO[C@@H]1CN(Cc2cccc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630361898 364080592 /nfs/dbraw/zinc/08/05/92/364080592.db2.gz NMFGUYXGGFECGB-GJZGRUSLSA-N 1 0 248.370 1.933 10 0 BDAERO CO[C@@H]1CN(C(=O)CC(C)(C)C)[C@](C)(C[NH3+])C1 ZINC000630361022 364081229 /nfs/dbraw/zinc/08/12/29/364081229.db2.gz KWEXPOSDFXWBQQ-GWCFXTLKSA-N 1 0 242.363 1.387 10 0 BDAERO [NH3+]CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000011805417 181354988 /nfs/dbraw/zinc/35/49/88/181354988.db2.gz CQPORYFIHYGPQF-UHFFFAOYSA-N 1 0 219.288 1.184 10 0 BDAERO [NH3+]CC(=O)Nc1ccccc1OC(F)F ZINC000036904827 181356008 /nfs/dbraw/zinc/35/60/08/181356008.db2.gz JRUYLKZZXKSVMA-UHFFFAOYSA-N 1 0 216.187 1.185 10 0 BDAERO OCC1CC[NH+]([C@H]2CCOC23CCCC3)CC1 ZINC000725263822 541336876 /nfs/dbraw/zinc/33/68/76/541336876.db2.gz MLNSQSQQXJKKQZ-ZDUSSCGKSA-N 1 0 239.359 1.792 10 0 BDAERO O=C(C1CC1)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000725263592 541336410 /nfs/dbraw/zinc/33/64/10/541336410.db2.gz UGFMGFZONXPZOM-GZBFAFLISA-N 1 0 248.370 1.777 10 0 BDAERO OCC1CC[NH+]([C@@H]2CCOC23CCCC3)CC1 ZINC000725263821 541336418 /nfs/dbraw/zinc/33/64/18/541336418.db2.gz MLNSQSQQXJKKQZ-CYBMUJFWSA-N 1 0 239.359 1.792 10 0 BDAERO CCCOc1nccnc1NC[C@H]([NH3+])C(C)C ZINC000630508923 364194563 /nfs/dbraw/zinc/19/45/63/364194563.db2.gz GWBFUIOXFPNFPL-JTQLQIEISA-N 1 0 238.335 1.083 10 0 BDAERO CCCOc1nccnc1NCC[C@@H](C)[NH3+] ZINC000630508240 364196015 /nfs/dbraw/zinc/19/60/15/364196015.db2.gz IMCNPNNRUQKAIN-SECBINFHSA-N 1 0 224.308 1.415 10 0 BDAERO O[C@@H]1C[NH2+]C[C@H]1CNc1nccc2ccccc21 ZINC000630511313 364196482 /nfs/dbraw/zinc/19/64/82/364196482.db2.gz CSZDMUJMSQVIJV-WCQYABFASA-N 1 0 243.310 1.227 10 0 BDAERO COc1cccnc1N1CCCCC[C@H]([NH3+])C1 ZINC000630549480 364242678 /nfs/dbraw/zinc/24/26/78/364242678.db2.gz OAVDFPJLTRDICD-NSHDSACASA-N 1 0 235.331 1.798 10 0 BDAERO Cc1nccnc1N1CCCCC[C@@H]([NH3+])C1 ZINC000630550008 364243652 /nfs/dbraw/zinc/24/36/52/364243652.db2.gz RUTMEEJIPLIWJV-LLVKDONJSA-N 1 0 220.320 1.493 10 0 BDAERO COc1cc(N2CCCCC[C@@H]([NH3+])C2)ncn1 ZINC000630550654 364243998 /nfs/dbraw/zinc/24/39/98/364243998.db2.gz WKWSWGVCYNFRRK-SNVBAGLBSA-N 1 0 236.319 1.193 10 0 BDAERO C[C@@H]1CN(c2ncnc3ccccc32)C[C@@H]1C[NH3+] ZINC000630576162 364275033 /nfs/dbraw/zinc/27/50/33/364275033.db2.gz XDQPMIOYDPWQTA-MNOVXSKESA-N 1 0 242.326 1.661 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1nc2ccccc2[nH]1 ZINC000630558284 364257836 /nfs/dbraw/zinc/25/78/36/364257836.db2.gz SULGJANQALTODA-RKDXNWHRSA-N 1 0 216.288 1.489 10 0 BDAERO C[C@@H]1CN(c2ncccc2Cl)C[C@@H]1C[NH3+] ZINC000630566631 364263691 /nfs/dbraw/zinc/26/36/91/364263691.db2.gz DPRGVQHDLZEZCA-BDAKNGLRSA-N 1 0 225.723 1.766 10 0 BDAERO C[C@@H]1CN(c2ncnc3sccc32)C[C@@H]1C[NH3+] ZINC000630569953 364265819 /nfs/dbraw/zinc/26/58/19/364265819.db2.gz LDMHQBIVGWIFBH-BDAKNGLRSA-N 1 0 248.355 1.722 10 0 BDAERO C[C@H]1CN(c2ncccc2F)C[C@H]1C[NH3+] ZINC000630571767 364267254 /nfs/dbraw/zinc/26/72/54/364267254.db2.gz PNSOTDRBTVVHCV-DTWKUNHWSA-N 1 0 209.268 1.252 10 0 BDAERO COc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)ncn1 ZINC000630531781 364224345 /nfs/dbraw/zinc/22/43/45/364224345.db2.gz DEMGCTJOJWEUIO-IUCAKERBSA-N 1 0 222.292 1.038 10 0 BDAERO Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)nc(C)n1 ZINC000630533341 364225027 /nfs/dbraw/zinc/22/50/27/364225027.db2.gz CDAJVRXHSPRHFR-KCJUWKMLSA-N 1 0 220.320 1.646 10 0 BDAERO CCc1nsc(N[C@@H](C)CC[NH3+])n1 ZINC000134270314 364396898 /nfs/dbraw/zinc/39/68/98/364396898.db2.gz RVLYJGZPNNXMAR-LURJTMIESA-N 1 0 200.311 1.250 10 0 BDAERO CC(C)[NH+](CCNC(=O)N[C@@H]1C[C@@H]1C)C(C)C ZINC000170836491 364446157 /nfs/dbraw/zinc/44/61/57/364446157.db2.gz XLMHWJBGCWKMKT-NWDGAFQWSA-N 1 0 241.379 1.813 10 0 BDAERO CC(C)[NH+](CCNC(=O)N[C@H]1C[C@@H]1C)C(C)C ZINC000170836488 364446345 /nfs/dbraw/zinc/44/63/45/364446345.db2.gz XLMHWJBGCWKMKT-RYUDHWBXSA-N 1 0 241.379 1.813 10 0 BDAERO [NH3+]CCC(=O)N(Cc1ccco1)Cc1ccco1 ZINC000032103538 181367035 /nfs/dbraw/zinc/36/70/35/181367035.db2.gz UQQBBRFCEANCGY-UHFFFAOYSA-N 1 0 248.282 1.750 10 0 BDAERO CCOCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247512731 364623231 /nfs/dbraw/zinc/62/32/31/364623231.db2.gz VYYZFJUYAOAZLK-VXGBXAGGSA-N 1 0 212.337 1.191 10 0 BDAERO C[C@H](c1nccs1)N(C)C[C@H]1CCC[NH2+]1 ZINC000248093006 364627164 /nfs/dbraw/zinc/62/71/64/364627164.db2.gz WISHCMNPUFOBCH-NXEZZACHSA-N 1 0 225.361 1.888 10 0 BDAERO C[C@@H]1SCCC[C@@]12C[C@]2(C[NH3+])CO ZINC000252658996 364731421 /nfs/dbraw/zinc/73/14/21/364731421.db2.gz RNJRFUYONBCMLT-LPEHRKFASA-N 1 0 201.335 1.229 10 0 BDAERO [NH3+]CCCC(=O)Nc1cc(F)ccc1F ZINC000019474166 181372224 /nfs/dbraw/zinc/37/22/24/181372224.db2.gz QJOPUDWSVWJLQZ-UHFFFAOYSA-N 1 0 214.215 1.642 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000081940761 541383367 /nfs/dbraw/zinc/38/33/67/541383367.db2.gz CFHSNURSOKBHJZ-RKDXNWHRSA-N 1 0 205.323 1.081 10 0 BDAERO CCCS(=O)(=O)[C@H]1CC(C)(C)CC[C@H]1[NH2+]C ZINC000081941087 541383413 /nfs/dbraw/zinc/38/34/13/541383413.db2.gz SBNAQCQQUKJXSQ-MNOVXSKESA-N 1 0 247.404 1.978 10 0 BDAERO CCN1CCO[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000233517350 541384690 /nfs/dbraw/zinc/38/46/90/541384690.db2.gz UGLJXJBALBJTKS-GFCCVEGCSA-N 1 0 226.364 1.487 10 0 BDAERO [NH3+]CCCCCC(=O)N1CCc2ncccc2C1 ZINC000037643324 181374080 /nfs/dbraw/zinc/37/40/80/181374080.db2.gz DKQQWUNNORFDAM-UHFFFAOYSA-N 1 0 247.342 1.485 10 0 BDAERO [NH3+]CCCCCNC(=O)c1ccccc1F ZINC000070626775 181375141 /nfs/dbraw/zinc/37/51/41/181375141.db2.gz GKMHYEZUPBJMNJ-UHFFFAOYSA-N 1 0 224.279 1.685 10 0 BDAERO C[C@H]1CCC[C@@H](C2C(=O)CCCC2=O)[NH2+]1 ZINC000230796315 541415121 /nfs/dbraw/zinc/41/51/21/541415121.db2.gz SCEBHFOCRNFOPY-IUCAKERBSA-N 1 0 209.289 1.455 10 0 BDAERO Cc1cc(C)c2cc(C[NH3+])c(=O)[nH]c2c1 ZINC000004902045 541419116 /nfs/dbraw/zinc/41/91/16/541419116.db2.gz QKOLTKAXYNFCCE-UHFFFAOYSA-N 1 0 202.257 1.604 10 0 BDAERO [NH3+]CCCN1C(=O)CC2(CCCC2)CC1=O ZINC000051355133 181379240 /nfs/dbraw/zinc/37/92/40/181379240.db2.gz BTOKJZQTJZGOKC-UHFFFAOYSA-N 1 0 224.304 1.045 10 0 BDAERO [NH3+]CCCN(C(=O)c1cc[nH]n1)C1CCCC1 ZINC000062775052 181379394 /nfs/dbraw/zinc/37/93/94/181379394.db2.gz NHZKZNNRIQBCCG-UHFFFAOYSA-N 1 0 236.319 1.143 10 0 BDAERO [NH3+]CCCN(C(=O)[C@H]1CCCO1)C1CCCC1 ZINC000036731483 181379469 /nfs/dbraw/zinc/37/94/69/181379469.db2.gz PJEVZEAJYJCXSC-GFCCVEGCSA-N 1 0 240.347 1.285 10 0 BDAERO [NH3+]CCCCn1c(=O)cnc2ccccc21 ZINC000019399629 181380052 /nfs/dbraw/zinc/38/00/52/181380052.db2.gz WINZMSMMQRKCDL-UHFFFAOYSA-N 1 0 217.272 1.135 10 0 BDAERO [NH3+]CCCNC(=O)c1ccc2ccccc2c1 ZINC000019428053 181381930 /nfs/dbraw/zinc/38/19/30/181381930.db2.gz ZUFSXRQAGVDIJE-UHFFFAOYSA-N 1 0 228.295 1.918 10 0 BDAERO [NH3+]CCC[NH2+][C@@H]1CCOc2ccccc21 ZINC000037713413 181382973 /nfs/dbraw/zinc/38/29/73/181382973.db2.gz BWXWWBXACNUFFB-LLVKDONJSA-N 1 0 206.289 1.449 10 0 BDAERO [NH3+]CCCNc1cc2ccccc2c(=O)[nH]1 ZINC000037757111 181383630 /nfs/dbraw/zinc/38/36/30/181383630.db2.gz MHYHWDVTHCXCMB-UHFFFAOYSA-N 1 0 217.272 1.289 10 0 BDAERO [NH3+]CCCS(=O)(=O)c1ccc(F)c(F)c1 ZINC000036163370 181384587 /nfs/dbraw/zinc/38/45/87/181384587.db2.gz NRUWHOLQYMDEOP-UHFFFAOYSA-N 1 0 235.255 1.087 10 0 BDAERO [NH3+]CCCOc1ncnc2ccccc21 ZINC000051870722 181384976 /nfs/dbraw/zinc/38/49/76/181384976.db2.gz UWLYFRXYRZODPF-UHFFFAOYSA-N 1 0 203.245 1.357 10 0 BDAERO [NH3+]CCCSc1nnnn1C1CCCC1 ZINC000019811141 181385012 /nfs/dbraw/zinc/38/50/12/181385012.db2.gz HQAPGDDMBRZONB-UHFFFAOYSA-N 1 0 227.337 1.229 10 0 BDAERO [NH3+]CCCc1nncn1C1CCCCC1 ZINC000054526608 181388298 /nfs/dbraw/zinc/38/82/98/181388298.db2.gz CKSVOBWJYBFXHU-UHFFFAOYSA-N 1 0 208.309 1.675 10 0 BDAERO [NH3+]CCCc1noc([C@@H]2Cc3ccccc3O2)n1 ZINC000054139062 181388535 /nfs/dbraw/zinc/38/85/35/181388535.db2.gz LTJXOSBCCDEVRW-NSHDSACASA-N 1 0 245.282 1.637 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574280698 365028005 /nfs/dbraw/zinc/02/80/05/365028005.db2.gz OPRYXAUIESGKAV-VLEAKVRGSA-N 1 0 228.336 1.186 10 0 BDAERO [NH3+]CCN(C(=O)c1cccc(F)c1)C1CC1 ZINC000041056733 181390830 /nfs/dbraw/zinc/39/08/30/181390830.db2.gz PRYJKYMDCSVYIS-UHFFFAOYSA-N 1 0 222.263 1.389 10 0 BDAERO [NH3+]CCN(c1ccncn1)C1CCCC1 ZINC000053706284 181390960 /nfs/dbraw/zinc/39/09/60/181390960.db2.gz VCVIJSNVQADGHL-UHFFFAOYSA-N 1 0 206.293 1.184 10 0 BDAERO [NH3+]CCNC(=O)CCOc1ccc2c(c1)CCC2 ZINC000019787497 181392839 /nfs/dbraw/zinc/39/28/39/181392839.db2.gz PGPSWVLLKDMBHR-UHFFFAOYSA-N 1 0 248.326 1.019 10 0 BDAERO [NH3+]CCc1csc2nnc(C3CC3)n12 ZINC000082533074 181413413 /nfs/dbraw/zinc/41/34/13/181413413.db2.gz IZXBMBVPQVALQM-UHFFFAOYSA-N 1 0 208.290 1.169 10 0 BDAERO [NH3+]CCc1nnc(Cc2ccccc2)s1 ZINC000057500591 181414446 /nfs/dbraw/zinc/41/44/46/181414446.db2.gz ZBWTUXKEHODUJG-UHFFFAOYSA-N 1 0 219.313 1.630 10 0 BDAERO [NH3+]C[C@@H](CO)Cc1ccc(Cl)s1 ZINC000063065171 181418832 /nfs/dbraw/zinc/41/88/32/181418832.db2.gz CIKSROPKCBQXMU-LURJTMIESA-N 1 0 205.710 1.511 10 0 BDAERO COCCN1CC[N@@H+]([C@H]2C=CCCC2)C[C@@H]1C ZINC000171746163 365232825 /nfs/dbraw/zinc/23/28/25/365232825.db2.gz BXVPQJYLUNJPCG-KBPBESRZSA-N 1 0 238.375 1.748 10 0 BDAERO CC[C@H](O)CN1CC[NH+](CC2CCCC2)CC1 ZINC000174075703 365470428 /nfs/dbraw/zinc/47/04/28/365470428.db2.gz XKVDTCSKSWXHSQ-AWEZNQCLSA-N 1 0 240.391 1.565 10 0 BDAERO COc1cc(C)cc2c1OC[C@@H]([C@@H](C)[NH3+])C2 ZINC000675063791 541465133 /nfs/dbraw/zinc/46/51/33/541465133.db2.gz OYPIEUBAEOAODL-KOLCDFICSA-N 1 0 221.300 1.902 10 0 BDAERO O=Cc1ccc(-c2cnn3c2C[NH2+]CC3)cc1 ZINC000675080725 541467961 /nfs/dbraw/zinc/46/79/61/541467961.db2.gz UKFYJNLRZWZQGT-UHFFFAOYSA-N 1 0 227.267 1.466 10 0 BDAERO COC(=O)[C@H](C[NH3+])C1CCC(C)(C)CC1 ZINC000260393017 541489387 /nfs/dbraw/zinc/48/93/87/541489387.db2.gz DARVDXGNZZTAJT-SNVBAGLBSA-N 1 0 213.321 1.951 10 0 BDAERO CC(=O)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000685947527 541496874 /nfs/dbraw/zinc/49/68/74/541496874.db2.gz OYBXSFMBJKMTMO-XQQFMLRXSA-N 1 0 222.332 1.387 10 0 BDAERO CC[C@H]1C[C@H](CC)n2nc(CC[NH3+])nc2N1 ZINC000234097721 541510869 /nfs/dbraw/zinc/51/08/69/541510869.db2.gz WTYPWCCDJHOQCH-IUCAKERBSA-N 1 0 223.324 1.325 10 0 BDAERO CCc1cn2c([nH+]1)NCC[C@@H]2[C@H]1CCOC1 ZINC000234197639 541511756 /nfs/dbraw/zinc/51/17/56/541511756.db2.gz CYCCYQZKGPMCID-GXSJLCMTSA-N 1 0 221.304 1.839 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2ccncc2C(N)=O)C1 ZINC000184074365 367062879 /nfs/dbraw/zinc/06/28/79/367062879.db2.gz QYBAAYOTQYPCMS-JTQLQIEISA-N 1 0 248.330 1.077 10 0 BDAERO CO[C@](C)(C[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000381108454 367352188 /nfs/dbraw/zinc/35/21/88/367352188.db2.gz ZJIYBKUPUROFOB-WCQYABFASA-N 1 0 229.364 1.798 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000381512852 367422806 /nfs/dbraw/zinc/42/28/06/367422806.db2.gz YAAVVEZDCKTNJV-ZQPXRHIWSA-N 1 0 221.275 1.809 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1ncnc2sccc21 ZINC000381830957 367461027 /nfs/dbraw/zinc/46/10/27/367461027.db2.gz XKAJVIDHKDKGAQ-RQJHMYQMSA-N 1 0 222.317 1.839 10 0 BDAERO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H]1C[C@H]1CO ZINC000382216386 367499640 /nfs/dbraw/zinc/49/96/40/367499640.db2.gz LXPVSHVSZOKMDJ-YVECIDJPSA-N 1 0 209.333 1.949 10 0 BDAERO C[C@@H]1CN(C(=O)/C=C\c2ccccc2)C[C@@H]1[NH3+] ZINC000383118995 367598360 /nfs/dbraw/zinc/59/83/60/367598360.db2.gz CXQWJYXTNCEANL-RHZMEEDWSA-N 1 0 230.311 1.505 10 0 BDAERO Cc1ccnc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383488643 367627113 /nfs/dbraw/zinc/62/71/13/367627113.db2.gz PRRXEDBKLMEKRI-SSDOTTSWSA-N 1 0 216.235 1.179 10 0 BDAERO CCOc1cc(N[C@H](CC[NH3+])C(F)F)ncn1 ZINC000383426093 367620645 /nfs/dbraw/zinc/62/06/45/367620645.db2.gz GQNLIILPASKBJE-SSDOTTSWSA-N 1 0 246.261 1.270 10 0 BDAERO CCC1(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000384344970 367687171 /nfs/dbraw/zinc/68/71/71/367687171.db2.gz CZJDZEUSANMOSN-QWRGUYRKSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1ccncc1 ZINC000384406297 367689054 /nfs/dbraw/zinc/68/90/54/367689054.db2.gz QDKVUTAEOMFVIU-AAEUAGOBSA-N 1 0 247.342 1.128 10 0 BDAERO CCCN(C(=O)[C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000384456231 367692970 /nfs/dbraw/zinc/69/29/70/367692970.db2.gz JFEDLZQRLDDPJL-JQWIXIFHSA-N 1 0 224.348 1.776 10 0 BDAERO CC(C)COCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384849745 367742952 /nfs/dbraw/zinc/74/29/52/367742952.db2.gz KRRMVLJXAGKOON-NWDGAFQWSA-N 1 0 215.337 1.504 10 0 BDAERO CCNC(=[NH2+])[C@H]1SCCS[C@H]1C ZINC000252721740 367894542 /nfs/dbraw/zinc/89/45/42/367894542.db2.gz OOGTZMAYLUAIBY-BQBZGAKWSA-N 1 0 204.364 1.810 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CCCS1 ZINC000087668357 367962712 /nfs/dbraw/zinc/96/27/12/367962712.db2.gz ABQGSZIOHXCJRS-GHMZBOCLSA-N 1 0 242.388 1.388 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087669320 367966896 /nfs/dbraw/zinc/96/68/96/367966896.db2.gz YHNXDQQFNBHQCP-HBNTYKKESA-N 1 0 215.362 1.775 10 0 BDAERO C[NH2+]C[C@H]1CCCN(c2ncc(C)c(C)n2)C1 ZINC000386610784 368001587 /nfs/dbraw/zinc/00/15/87/368001587.db2.gz BQTZZSBPOYTNCU-GFCCVEGCSA-N 1 0 234.347 1.529 10 0 BDAERO Cc1cnc(N2CC[C@H]([C@@H](C)[NH3+])C2)nc1C ZINC000386461406 367977446 /nfs/dbraw/zinc/97/74/46/367977446.db2.gz NISWKJJYMUJJOA-KOLCDFICSA-N 1 0 220.320 1.267 10 0 BDAERO Cc1cnc(N[C@H](C)[C@H]2CCC[NH2+]C2)nc1C ZINC000386608740 368002055 /nfs/dbraw/zinc/00/20/55/368002055.db2.gz BKMWZRIHDSWACB-NEPJUHHUSA-N 1 0 234.347 1.893 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1ncc(C)c(C)n1 ZINC000386526638 367985467 /nfs/dbraw/zinc/98/54/67/367985467.db2.gz YRLFQHIWPGKIKC-LLVKDONJSA-N 1 0 220.320 1.282 10 0 BDAERO Cc1cnc(NC[C@]2(C)CCC[NH2+]C2)nc1C ZINC000386654150 368006347 /nfs/dbraw/zinc/00/63/47/368006347.db2.gz LATQHQQEHPTMPY-CYBMUJFWSA-N 1 0 234.347 1.895 10 0 BDAERO C[C@@H]1CCSC[C@H]([C@H]2CCOC2)[NH2+]1 ZINC000252839077 368161093 /nfs/dbraw/zinc/16/10/93/368161093.db2.gz ZSTMLSYDSNSYTL-KXUCPTDWSA-N 1 0 201.335 1.507 10 0 BDAERO C[N@H+](C1CCC1)[C@@H]1CC2(CC[C@H]1O)OCCO2 ZINC000252982514 368178503 /nfs/dbraw/zinc/17/85/03/368178503.db2.gz WTBDBULBRPRNIK-VXGBXAGGSA-N 1 0 241.331 1.127 10 0 BDAERO C[NH2+][C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000103016828 368241336 /nfs/dbraw/zinc/24/13/36/368241336.db2.gz DRROTPCCFFMHNX-HAQNSBGRSA-N 1 0 234.299 1.663 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(NO)cc1 ZINC000033902520 368322056 /nfs/dbraw/zinc/32/20/56/368322056.db2.gz UCGFOKKVSOLRAB-LLVKDONJSA-N 1 0 240.303 1.225 10 0 BDAERO Oc1cccc2ccc(N3CC[NH2+]CC3)nc12 ZINC000118862891 368345182 /nfs/dbraw/zinc/34/51/82/368345182.db2.gz WIJBGLVUXNPDIY-UHFFFAOYSA-N 1 0 229.283 1.350 10 0 BDAERO N#Cc1cccc2c1CC[C@@H]2CN1CC[NH2+]CC1 ZINC000146142824 368349627 /nfs/dbraw/zinc/34/96/27/368349627.db2.gz REPABDBBFKKXLP-CYBMUJFWSA-N 1 0 241.338 1.493 10 0 BDAERO COc1cc(CCN2CC[NH2+]CC2)ccc1C#N ZINC000146101160 368349861 /nfs/dbraw/zinc/34/98/61/368349861.db2.gz RTAVOKBWABBHAD-UHFFFAOYSA-N 1 0 245.326 1.015 10 0 BDAERO C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000219467942 368401946 /nfs/dbraw/zinc/40/19/46/368401946.db2.gz PPPWGYOTGNISTC-VIFPVBQESA-N 1 0 216.325 1.755 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccc(F)cn2)C1 ZINC000335581987 181435662 /nfs/dbraw/zinc/43/56/62/181435662.db2.gz PFZVTKAJERXJAP-SCZZXKLOSA-N 1 0 209.268 1.760 10 0 BDAERO Cc1ncc([C@H](C[NH3+])c2ccncc2)cn1 ZINC000107155132 368467319 /nfs/dbraw/zinc/46/73/19/368467319.db2.gz ZXIOMYHPVISDLH-GFCCVEGCSA-N 1 0 214.272 1.271 10 0 BDAERO CN(CCC[NH3+])c1ncc(Br)cn1 ZINC000082661563 368705992 /nfs/dbraw/zinc/70/59/92/368705992.db2.gz OTQVTUKCWFPEBE-UHFFFAOYSA-N 1 0 245.124 1.024 10 0 BDAERO CC[C@](CC[NH+](C)C)(C(N)=O)c1ccccc1 ZINC000002033121 368741441 /nfs/dbraw/zinc/74/14/41/368741441.db2.gz WIGLWDYSZRNQOI-CQSZACIVSA-N 1 0 234.343 1.771 10 0 BDAERO C[C@]1(C(=O)N2CCC[C@H]3CCC[C@@H]32)CCC[NH2+]1 ZINC000087770832 368896758 /nfs/dbraw/zinc/89/67/58/368896758.db2.gz DXDVWWODSAAZQA-MBNYWOFBSA-N 1 0 236.359 1.920 10 0 BDAERO C[C@]1(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CCC[NH2+]1 ZINC000087770836 368896830 /nfs/dbraw/zinc/89/68/30/368896830.db2.gz DXDVWWODSAAZQA-SGMGOOAPSA-N 1 0 236.359 1.920 10 0 BDAERO COC(=O)c1ccc2c(c1)C[C@@H]([NH3+])CC2 ZINC000113645708 368899034 /nfs/dbraw/zinc/89/90/34/368899034.db2.gz PGOYVJHAFLMARC-NSHDSACASA-N 1 0 205.257 1.289 10 0 BDAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1cccnc1 ZINC000111264006 368853406 /nfs/dbraw/zinc/85/34/06/368853406.db2.gz PQFUSCCEHOUNFM-JFGNBEQYSA-N 1 0 233.315 1.114 10 0 BDAERO CC[NH2+]CCCNc1cc(OC(C)C)ncn1 ZINC000090786046 368998183 /nfs/dbraw/zinc/99/81/83/368998183.db2.gz KUPBWCFTADJSFG-UHFFFAOYSA-N 1 0 238.335 1.675 10 0 BDAERO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000623766329 369001214 /nfs/dbraw/zinc/00/12/14/369001214.db2.gz DNUVGMITCQWARZ-RFGFWPKPSA-N 1 0 241.375 1.942 10 0 BDAERO CN(C)c1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000091546635 369014263 /nfs/dbraw/zinc/01/42/63/369014263.db2.gz HTMGTDVGTBMJFD-VHSXEESVSA-N 1 0 248.330 1.214 10 0 BDAERO CCN(CC)C(=O)O[C@H]1CCC[C@H]1[NH3+] ZINC000131768104 259535979 /nfs/dbraw/zinc/53/59/79/259535979.db2.gz GRFMHQRMVILPNR-BDAKNGLRSA-N 1 0 200.282 1.345 10 0 BDAERO [NH3+][C@H]1C[C@H](CO)Oc2ccc(Cl)cc21 ZINC000130808492 369088600 /nfs/dbraw/zinc/08/86/00/369088600.db2.gz XINJFWKVGFATGF-APPZFPTMSA-N 1 0 213.664 1.483 10 0 BDAERO [NH3+]C[C@H](SC1CCOCC1)c1ccccn1 ZINC000062054276 181452867 /nfs/dbraw/zinc/45/28/67/181452867.db2.gz YKDKNEPYLCXVEN-LBPRGKRZSA-N 1 0 238.356 1.994 10 0 BDAERO [NH3+]C[C@H](c1ccccc1F)N1CCC(O)CC1 ZINC000020178982 181454508 /nfs/dbraw/zinc/45/45/08/181454508.db2.gz BYPABAJRCVPONX-CYBMUJFWSA-N 1 0 238.306 1.282 10 0 BDAERO [NH3+]C[C@H](O)COc1ccc(F)cc1Cl ZINC000037902188 181448838 /nfs/dbraw/zinc/44/88/38/181448838.db2.gz SHKVQNKCCFQHQS-ZETCQYMHSA-N 1 0 219.643 1.178 10 0 BDAERO [NH3+]C[C@H](O)CNc1ccc(Br)cc1 ZINC000032101931 181449600 /nfs/dbraw/zinc/44/96/00/181449600.db2.gz APPCNAWTWQNAEC-VIFPVBQESA-N 1 0 245.120 1.181 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CCCCCC2)O1 ZINC000094565042 181466007 /nfs/dbraw/zinc/46/60/07/181466007.db2.gz YXUXHJXGDYQOGD-NEPJUHHUSA-N 1 0 240.347 1.332 10 0 BDAERO [NH3+]C[C@]1(CO)C[C@H]1c1ccc(Cl)c(F)c1 ZINC000070500160 181469204 /nfs/dbraw/zinc/46/92/04/181469204.db2.gz PVMUHBGYQLLMPJ-KWQFWETISA-N 1 0 229.682 1.904 10 0 BDAERO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(F)c(F)c1 ZINC000070500220 181469808 /nfs/dbraw/zinc/46/98/08/181469808.db2.gz XPMSKZIYVARFMM-KCJUWKMLSA-N 1 0 213.227 1.390 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Oc1ccccc1 ZINC000061884326 181462470 /nfs/dbraw/zinc/46/24/70/181462470.db2.gz YBXWKIBPEHFWIN-PWSUYJOCSA-N 1 0 234.299 1.902 10 0 BDAERO [NH3+]Cc1c[nH]nc1-c1cc(F)ccc1F ZINC000082640872 181474447 /nfs/dbraw/zinc/47/44/47/181474447.db2.gz UZQZIQFAJNSVGO-UHFFFAOYSA-N 1 0 209.199 1.814 10 0 BDAERO C[C@H]1C[C@](O)(Cc2cccs2)CC[NH2+]1 ZINC000107151949 369310371 /nfs/dbraw/zinc/31/03/71/369310371.db2.gz OACQHRALIBSTFI-ONGXEEELSA-N 1 0 211.330 1.794 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2[C@@H]([NH3+])[C@@H]21 ZINC000107152861 369310728 /nfs/dbraw/zinc/31/07/28/369310728.db2.gz NKLUMVARBVWVMR-UYXSQOIJSA-N 1 0 212.293 1.247 10 0 BDAERO C[Si](C)(C)CCOCO[C@H]1CC[NH2+]C1 ZINC000200049521 369348763 /nfs/dbraw/zinc/34/87/63/369348763.db2.gz SLNDFPRFCHEGQM-JTQLQIEISA-N 1 0 217.385 1.677 10 0 BDAERO CC[C@H](C)CC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403969657 369415355 /nfs/dbraw/zinc/41/53/55/369415355.db2.gz BBBPDDUMNLZGJI-QJPTWQEYSA-N 1 0 240.347 1.012 10 0 BDAERO CC[C@H](C)CC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000403969661 369415564 /nfs/dbraw/zinc/41/55/64/369415564.db2.gz BBBPDDUMNLZGJI-SDDRHHMPSA-N 1 0 240.347 1.012 10 0 BDAERO C(C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1)C1CCCC1 ZINC000404212239 369422838 /nfs/dbraw/zinc/42/28/38/369422838.db2.gz WGIRUJTYQUTQFL-ZIAGYGMSSA-N 1 0 238.375 1.629 10 0 BDAERO [NH3+]Cc1ccc(O[C@H]2CCOC2=O)c(Cl)c1 ZINC000043477425 181485961 /nfs/dbraw/zinc/48/59/61/181485961.db2.gz ROGXHYZTAZMIGT-JTQLQIEISA-N 1 0 241.674 1.493 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000082278092 370979104 /nfs/dbraw/zinc/97/91/04/370979104.db2.gz UYBYMHNGDYLTJL-NSHDSACASA-N 1 0 210.321 1.339 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000309632086 370235987 /nfs/dbraw/zinc/23/59/87/370235987.db2.gz KYPFOVHBDRDCHZ-TUAOUCFPSA-N 1 0 225.332 1.306 10 0 BDAERO CCc1nc(CC[NH2+]C[C@H]2CCSC2)no1 ZINC000309620181 370236366 /nfs/dbraw/zinc/23/63/66/370236366.db2.gz DYIXJQPSAJNCSO-SECBINFHSA-N 1 0 241.360 1.517 10 0 BDAERO Cc1nccnc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000621328054 370259825 /nfs/dbraw/zinc/25/98/25/370259825.db2.gz DTXDVUXFNIXBGH-ZYHUDNBSSA-N 1 0 221.304 1.442 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@@H]2CCCN2C)C[C@H]1CO ZINC000621373009 370311942 /nfs/dbraw/zinc/31/19/42/370311942.db2.gz AFTCFAWAMPRKOO-AGIUHOORSA-N 1 0 226.364 1.031 10 0 BDAERO CCN1CCO[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000113267437 370396862 /nfs/dbraw/zinc/39/68/62/370396862.db2.gz ZRSBBNJZJFTKIU-CYBMUJFWSA-N 1 0 238.375 1.485 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCC[C@@H]1CC1(F)F ZINC000621671579 370419543 /nfs/dbraw/zinc/41/95/43/370419543.db2.gz XVSFXANIFFGDMS-SFYZADRCSA-N 1 0 220.263 1.275 10 0 BDAERO Cc1nccnc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000621714275 370461239 /nfs/dbraw/zinc/46/12/39/370461239.db2.gz JWHCPSVTKVFBTI-GFCCVEGCSA-N 1 0 235.331 1.522 10 0 BDAERO COc1cc(Br)ccc1NC(N)=[NH2+] ZINC000114025590 370539713 /nfs/dbraw/zinc/53/97/13/370539713.db2.gz WDSUSDFMERYGPN-UHFFFAOYSA-N 1 0 244.092 1.763 10 0 BDAERO CC(=O)N[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000066494828 370585494 /nfs/dbraw/zinc/58/54/94/370585494.db2.gz IWQRMGKXBGYCTB-STQMWFEESA-N 1 0 222.332 1.696 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000378670503 371014125 /nfs/dbraw/zinc/01/41/25/371014125.db2.gz JSSMFQFMBRAXJW-MROQNXINSA-N 1 0 209.333 1.926 10 0 BDAERO [NH3+]Cc1occc1Cn1cc(Cl)cn1 ZINC000052577174 181508771 /nfs/dbraw/zinc/50/87/71/181508771.db2.gz CSXWVGBREDJKSG-UHFFFAOYSA-N 1 0 211.652 1.637 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000623764210 371086342 /nfs/dbraw/zinc/08/63/42/371086342.db2.gz AIYPICGVDHZZAC-BDAKNGLRSA-N 1 0 231.679 1.172 10 0 BDAERO COC(=O)c1ccc(NCC[NH2+]C2CC2)nc1C ZINC000124435743 371189899 /nfs/dbraw/zinc/18/98/99/371189899.db2.gz XLJUOGDEZKFWPB-UHFFFAOYSA-N 1 0 249.314 1.341 10 0 BDAERO COc1cccc([C@@H](CO)[NH2+]CCSC)c1 ZINC000390430080 371201410 /nfs/dbraw/zinc/20/14/10/371201410.db2.gz OUBNQISGUPVVBQ-GFCCVEGCSA-N 1 0 241.356 1.681 10 0 BDAERO [NH3+][C@@H](Cc1ccc(O)cc1)c1ccc[nH]1 ZINC000011848756 181554977 /nfs/dbraw/zinc/55/49/77/181554977.db2.gz WDZPHOWPEQHNHE-NSHDSACASA-N 1 0 202.257 1.963 10 0 BDAERO [NH3+][C@@H](Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000048627543 181555669 /nfs/dbraw/zinc/55/56/69/181555669.db2.gz SDHCBLDSGPBSOY-PWSUYJOCSA-N 1 0 209.264 1.732 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)[C@@H]1CCCOC1 ZINC000062236841 181556225 /nfs/dbraw/zinc/55/62/25/181556225.db2.gz JXXFCQHPXAMAFY-OLZOCXBDSA-N 1 0 205.301 1.983 10 0 BDAERO [NH3+][C@H](CNC(=O)c1ccccn1)c1ccccc1 ZINC000062838079 181618238 /nfs/dbraw/zinc/61/82/38/181618238.db2.gz KGHSBTNVHXEVDK-GFCCVEGCSA-N 1 0 241.294 1.511 10 0 BDAERO [NH3+][C@H](Cc1ccccn1)[C@@H]1CCCCO1 ZINC000050964203 181627547 /nfs/dbraw/zinc/62/75/47/181627547.db2.gz YNXPYBKYVHKDSJ-NEPJUHHUSA-N 1 0 206.289 1.521 10 0 BDAERO [NH3+][C@H](Cc1ncc[nH]1)c1cc(F)cc(F)c1 ZINC000036946780 181628068 /nfs/dbraw/zinc/62/80/68/181628068.db2.gz RCBURUBJUQFDGW-SNVBAGLBSA-N 1 0 223.226 1.930 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCc1nccnc1Cl ZINC000095072307 181642458 /nfs/dbraw/zinc/64/24/58/181642458.db2.gz LUVCRZVTMNWANS-DTWKUNHWSA-N 1 0 240.738 1.490 10 0 BDAERO [NH3+][C@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000041028551 181644144 /nfs/dbraw/zinc/64/41/44/181644144.db2.gz WMTWTBGAXYPCEY-JTQLQIEISA-N 1 0 243.310 1.731 10 0 BDAERO [NH3+][C@H]1CCC[C@H](CC(=O)NC2CCOCC2)C1 ZINC000055129870 181647563 /nfs/dbraw/zinc/64/75/63/181647563.db2.gz SUBFPYGQVPEKIH-QWRGUYRKSA-N 1 0 240.347 1.189 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1NC(=O)CCOc1ccccc1 ZINC000063172713 181648672 /nfs/dbraw/zinc/64/86/72/181648672.db2.gz BCUUXNUFQBAEDN-QWHCGFSZSA-N 1 0 248.326 1.452 10 0 BDAERO [NH3+][C@H]1CCCc2cc(F)cc(F)c2[C@@H]1O ZINC000019795562 181649962 /nfs/dbraw/zinc/64/99/62/181649962.db2.gz AAGXSOBZYCDVBP-GXSJLCMTSA-N 1 0 213.227 1.662 10 0 BDAERO [NH3+][C@H]1CCN(c2ccc(F)c(F)c2F)C1 ZINC000033427027 181651546 /nfs/dbraw/zinc/65/15/46/181651546.db2.gz MYVNGANBVKJSCI-LURJTMIESA-N 1 0 216.206 1.641 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCOC[C@H]1O ZINC000624235819 371423123 /nfs/dbraw/zinc/42/31/23/371423123.db2.gz QAQSZGONFMLHFP-FPMFFAJLSA-N 1 0 235.327 1.795 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000624236374 371423801 /nfs/dbraw/zinc/42/38/01/371423801.db2.gz BGPKOGQRVOWNEC-XDQVBPFNSA-N 1 0 239.359 1.695 10 0 BDAERO Nc1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000040410219 181744068 /nfs/dbraw/zinc/74/40/68/181744068.db2.gz GVRQKWZGSHWZNU-GFCCVEGCSA-N 1 0 206.289 1.537 10 0 BDAERO CO[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000624298637 371464829 /nfs/dbraw/zinc/46/48/29/371464829.db2.gz WAAOFMOAQPLKCX-LZQZFOIKSA-N 1 0 225.332 1.567 10 0 BDAERO Nc1cnccc1SC[C@H]1CCC[NH2+]1 ZINC000043497524 181770397 /nfs/dbraw/zinc/77/03/97/181770397.db2.gz CBMKVHYUZOHRAV-MRVPVSSYSA-N 1 0 209.318 1.508 10 0 BDAERO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000215504384 371562510 /nfs/dbraw/zinc/56/25/10/371562510.db2.gz GINLVFREZSGMHJ-VHSXEESVSA-N 1 0 228.336 1.899 10 0 BDAERO C[NH2+]C[C@H]1CCCO[C@H]1c1cncs1 ZINC000161820379 371567195 /nfs/dbraw/zinc/56/71/95/371567195.db2.gz ZWTBILQLUMFRBL-PSASIEDQSA-N 1 0 212.318 1.830 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)OC(C)(C)C ZINC000215739806 371623556 /nfs/dbraw/zinc/62/35/56/371623556.db2.gz XFCCEZVWXSUNTA-DTWKUNHWSA-N 1 0 214.309 1.652 10 0 BDAERO [NH3+][C@@H](Cc1ccco1)[C@H]1CSCCS1 ZINC000131650707 371640389 /nfs/dbraw/zinc/64/03/89/371640389.db2.gz JVQUKODNYVOIRU-VHSXEESVSA-N 1 0 229.370 1.998 10 0 BDAERO C[C@@H]1C[NH+]=C(NCc2cncs2)S1 ZINC000131654104 371642691 /nfs/dbraw/zinc/64/26/91/371642691.db2.gz BRRUNPXZNLWUPR-ZCFIWIBFSA-N 1 0 213.331 1.724 10 0 BDAERO [NH3+][C@H]1CCC[C@@H](C(=O)Cc2cncs2)C1 ZINC000226336096 371648761 /nfs/dbraw/zinc/64/87/61/371648761.db2.gz SGSYBPWSARSFKA-BDAKNGLRSA-N 1 0 224.329 1.772 10 0 BDAERO O=C(C[C@@H]1CC[NH2+]C1)c1ccncc1F ZINC000226532739 371691056 /nfs/dbraw/zinc/69/10/56/371691056.db2.gz SFAGKQWNLGSAAN-QMMMGPOBSA-N 1 0 208.236 1.403 10 0 BDAERO C[C@H]1CC[NH2+][C@@H]1CN1CCSCC1 ZINC000226855362 371751419 /nfs/dbraw/zinc/75/14/19/371751419.db2.gz UIVSPAVVMRBCRT-VHSXEESVSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@H]1CC[NH2+][C@H]1C(=O)NCc1ccccc1 ZINC000226889169 371755308 /nfs/dbraw/zinc/75/53/08/371755308.db2.gz RNTBWGJUYUBXFF-CMPLNLGQSA-N 1 0 218.300 1.301 10 0 BDAERO [NH3+]CC1(c2ccncc2Br)CC1 ZINC000216447337 371755508 /nfs/dbraw/zinc/75/55/08/371755508.db2.gz DGHXGWHRRFDJBT-UHFFFAOYSA-N 1 0 227.105 1.834 10 0 BDAERO Cc1nc(S[C@@H]2CCCC[NH2+]C2)n[nH]1 ZINC000132156504 371757785 /nfs/dbraw/zinc/75/77/85/371757785.db2.gz CIRORRJYCNKQBI-MRVPVSSYSA-N 1 0 212.322 1.347 10 0 BDAERO Nc1[nH+]ccn1Cc1cnn(-c2ccccc2)c1 ZINC000037635550 181803180 /nfs/dbraw/zinc/80/31/80/181803180.db2.gz RLTISDKWZWVWEU-UHFFFAOYSA-N 1 0 239.282 1.699 10 0 BDAERO C[C@@H](CC(N)=S)[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000132412133 371816190 /nfs/dbraw/zinc/81/61/90/371816190.db2.gz LNUDUHWGJVFXAM-CIUDSAMLSA-N 1 0 232.418 1.877 10 0 BDAERO Nc1nnc(SC[C@H]2CCCC[NH2+]2)s1 ZINC000043495476 181814853 /nfs/dbraw/zinc/81/48/53/181814853.db2.gz XNVNGLVZTBBRIC-ZCFIWIBFSA-N 1 0 230.362 1.355 10 0 BDAERO [NH3+][C@@H]([C@H]1CCSC1)C1CCOCC1 ZINC000162903040 371880054 /nfs/dbraw/zinc/88/00/54/371880054.db2.gz KFFBCEFUGFPNPM-VHSXEESVSA-N 1 0 201.335 1.493 10 0 BDAERO CN(C)c1cc(Br)cc(C[NH3+])c1 ZINC000227586586 371900256 /nfs/dbraw/zinc/90/02/56/371900256.db2.gz OIWIAAFFWGBGLI-UHFFFAOYSA-N 1 0 229.121 1.974 10 0 BDAERO CN(c1cc[nH+]c(N)c1)[C@@H]1CCSC1 ZINC000227651470 371914932 /nfs/dbraw/zinc/91/49/32/371914932.db2.gz FITQVMRTSKKFRD-SECBINFHSA-N 1 0 209.318 1.606 10 0 BDAERO [NH3+]Cc1c(Cl)sc2c1CCOC2 ZINC000132795156 371923529 /nfs/dbraw/zinc/92/35/29/371923529.db2.gz JJMULSQHBICJOU-UHFFFAOYSA-N 1 0 203.694 1.933 10 0 BDAERO CC[C@@H](C[NH2+]C1COC1)NC(=O)OC(C)(C)C ZINC000227713856 371925641 /nfs/dbraw/zinc/92/56/41/371925641.db2.gz YHPRQZCSMJRZEJ-VIFPVBQESA-N 1 0 244.335 1.278 10 0 BDAERO Cc1sccc1[C@@]1(O)CC[NH2+]C[C@H]1C ZINC000227752540 371930775 /nfs/dbraw/zinc/93/07/75/371930775.db2.gz AJKYNQWIAPJNAD-LDYMZIIASA-N 1 0 211.330 1.874 10 0 BDAERO Cc1cncc([C@H]([NH3+])c2cncs2)c1 ZINC000227961514 371963879 /nfs/dbraw/zinc/96/38/79/371963879.db2.gz NYYVPFSHPNBCFO-JTQLQIEISA-N 1 0 205.286 1.895 10 0 BDAERO C[NH2+][C@H](C)[C@@H](C)N1CCCO[C@@H](C)C1 ZINC000217554417 371978118 /nfs/dbraw/zinc/97/81/18/371978118.db2.gz XYTDBFGQTNJVBH-HBNTYKKESA-N 1 0 200.326 1.094 10 0 BDAERO CC[C@H](O)[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217597591 371984901 /nfs/dbraw/zinc/98/49/01/371984901.db2.gz PCWDUSZGWYHZHH-DCAQKATOSA-N 1 0 201.310 1.257 10 0 BDAERO COC[C@@H](C)[C@@H](C[NH3+])NCc1ccccc1 ZINC000163447045 371994769 /nfs/dbraw/zinc/99/47/69/371994769.db2.gz QGHWMRIHVWXVMR-DGCLKSJQSA-N 1 0 222.332 1.386 10 0 BDAERO Cc1cc([C@@H]([NH3+])c2ccsc2)n(C)n1 ZINC000163450612 371997076 /nfs/dbraw/zinc/99/70/76/371997076.db2.gz OQZQWLAFVRGSAF-JTQLQIEISA-N 1 0 207.302 1.838 10 0 BDAERO C[C@H]1CN(CCC(C)(C)[NH3+])[C@@H](C)CO1 ZINC000217447906 371956806 /nfs/dbraw/zinc/95/68/06/371956806.db2.gz GSQRFGGHBVHVGL-UWVGGRQHSA-N 1 0 200.326 1.223 10 0 BDAERO CC[C@@H]([NH3+])CN1CCSC(C)(C)C1 ZINC000133348551 372027620 /nfs/dbraw/zinc/02/76/20/372027620.db2.gz YGGFCAWDIODKQA-SECBINFHSA-N 1 0 202.367 1.551 10 0 BDAERO COC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccccc1 ZINC000163676658 372030365 /nfs/dbraw/zinc/03/03/65/372030365.db2.gz HHZSHWZLFRZAGX-DGCLKSJQSA-N 1 0 223.316 1.420 10 0 BDAERO Nc1cc[nH+]c(NCCCn2cccn2)c1 ZINC000163712966 372037805 /nfs/dbraw/zinc/03/78/05/372037805.db2.gz XDZYNHVPNZBNBZ-UHFFFAOYSA-N 1 0 217.276 1.363 10 0 BDAERO C[C@](O)(Cc1nccs1)[C@@H]1CCC[NH2+]1 ZINC000306571379 372038676 /nfs/dbraw/zinc/03/86/76/372038676.db2.gz FYCLFJGPCBOBGC-WPRPVWTQSA-N 1 0 212.318 1.189 10 0 BDAERO C[NH2+]Cc1cn([C@@H]2CS[C@@H](C)C2)cn1 ZINC000306581302 372040499 /nfs/dbraw/zinc/04/04/99/372040499.db2.gz OOABXZNTDXHEJE-WPRPVWTQSA-N 1 0 211.334 1.669 10 0 BDAERO [NH3+]C[C@@H](O)COc1ccc(O)c2ccccc12 ZINC000218409423 372107137 /nfs/dbraw/zinc/10/71/37/372107137.db2.gz FTVUZIKELXLZKX-SECBINFHSA-N 1 0 233.267 1.244 10 0 BDAERO C[C@@H]1CC[S@@](=O)C[C@@H](C(C)(C)C)[NH2+]1 ZINC000228755758 372077206 /nfs/dbraw/zinc/07/72/06/372077206.db2.gz IURWRLADHHEGBW-VYUIOLGVSA-N 1 0 203.351 1.532 10 0 BDAERO [NH2+]=C1NC[C@@H](c2cccc(Cl)c2F)N1 ZINC000229265771 372134300 /nfs/dbraw/zinc/13/43/00/372134300.db2.gz JTCNTSWTUBXRDM-ZETCQYMHSA-N 1 0 213.643 1.438 10 0 BDAERO C[C@@H](CO)[NH2+][C@H]1CSc2ccccc21 ZINC000134088411 372158236 /nfs/dbraw/zinc/15/82/36/372158236.db2.gz KPGAMPCPUTYIJO-WPRPVWTQSA-N 1 0 209.314 1.804 10 0 BDAERO O=S1CCC([NH2+]Cc2ccc[nH]2)CC1 ZINC000229177662 372124876 /nfs/dbraw/zinc/12/48/76/372124876.db2.gz HPIUMOUVJQKMDK-UHFFFAOYSA-N 1 0 212.318 1.015 10 0 BDAERO C[C@@H]1C[N@H+](C)CC[C@@H]1n1cccc1C=O ZINC000229663253 372179597 /nfs/dbraw/zinc/17/95/97/372179597.db2.gz QPTUCQJBJSYSDM-PWSUYJOCSA-N 1 0 206.289 1.813 10 0 BDAERO CC[C@@H]1C[N@@H+](C2CCOCC2)CCC1=O ZINC000229758253 372190587 /nfs/dbraw/zinc/19/05/87/372190587.db2.gz QCXPLDZLMIFFKR-SNVBAGLBSA-N 1 0 211.305 1.466 10 0 BDAERO C[N@@H+]1CCC[C@](O)(Cc2nccs2)C1 ZINC000134341772 372198601 /nfs/dbraw/zinc/19/86/01/372198601.db2.gz XARLPSCEQWGTHI-JTQLQIEISA-N 1 0 212.318 1.142 10 0 BDAERO C[NH2+][C@H](C)Cc1ccc2c(c1O)OCO2 ZINC000399825723 259550850 /nfs/dbraw/zinc/55/08/50/259550850.db2.gz CIIZMYSXHIFBQO-SSDOTTSWSA-N 1 0 209.245 1.271 10 0 BDAERO CCc1cnc(CN2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000631838951 372634206 /nfs/dbraw/zinc/63/42/06/372634206.db2.gz XMJLGPBLNIXCNZ-UWVGGRQHSA-N 1 0 223.320 1.264 10 0 BDAERO Cc1csc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838779 372634290 /nfs/dbraw/zinc/63/42/90/372634290.db2.gz VAMZMQNJDFPUCD-SCZZXKLOSA-N 1 0 225.361 1.478 10 0 BDAERO O=C(CN1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000041269638 181960829 /nfs/dbraw/zinc/96/08/29/181960829.db2.gz PFHIMPZQDBEVNC-UHFFFAOYSA-N 1 0 236.290 1.304 10 0 BDAERO CO[C@]1(COc2ccccc2)CC[NH2+]C1 ZINC000378957156 372915537 /nfs/dbraw/zinc/91/55/37/372915537.db2.gz UKICZTBKRNGUKY-GFCCVEGCSA-N 1 0 207.273 1.444 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccccn1 ZINC000054305679 182028891 /nfs/dbraw/zinc/02/88/91/182028891.db2.gz YHRFDNBZIIARSP-LLVKDONJSA-N 1 0 233.315 1.088 10 0 BDAERO CSCC[N@@H+]1Cc2ccc(N)cc2C1 ZINC000069014714 373106122 /nfs/dbraw/zinc/10/61/22/373106122.db2.gz QBJJPEVCUVXSCA-UHFFFAOYSA-N 1 0 208.330 1.947 10 0 BDAERO O=C(NC1CC1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019802728 182098724 /nfs/dbraw/zinc/09/87/24/182098724.db2.gz ODGUWYZSHBASFE-DVVUODLYSA-N 1 0 208.305 1.186 10 0 BDAERO CCC1(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000174954138 205563225 /nfs/dbraw/zinc/56/32/25/205563225.db2.gz KKWAPAXBJJLJMK-LLVKDONJSA-N 1 0 239.363 1.522 10 0 BDAERO Nc1ccccc1C1CCN(CC[NH3+])CC1 ZINC000380624402 373356183 /nfs/dbraw/zinc/35/61/83/373356183.db2.gz BXQIPQDKKRUKMI-UHFFFAOYSA-N 1 0 219.332 1.407 10 0 BDAERO CCOC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000069626035 373546993 /nfs/dbraw/zinc/54/69/93/373546993.db2.gz LSUYSPBPFUYAGI-VIFPVBQESA-N 1 0 200.282 1.204 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000069725287 373658882 /nfs/dbraw/zinc/65/88/82/373658882.db2.gz OXMQBMFAACUMLG-RQJHMYQMSA-N 1 0 224.226 1.135 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000069725277 373659561 /nfs/dbraw/zinc/65/95/61/373659561.db2.gz OXMQBMFAACUMLG-NKWVEPMBSA-N 1 0 224.226 1.135 10 0 BDAERO CC(C)([C@@H]([NH3+])c1cccs1)S(C)(=O)=O ZINC000069693408 373598536 /nfs/dbraw/zinc/59/85/36/373598536.db2.gz QKHYFUDHGKOFEZ-QMMMGPOBSA-N 1 0 233.358 1.571 10 0 BDAERO Nc1cc[nH+]cc1[C@H](O)c1cccs1 ZINC000069843348 373876272 /nfs/dbraw/zinc/87/62/72/373876272.db2.gz XWVMYKIBTFEHIJ-JTQLQIEISA-N 1 0 206.270 1.807 10 0 BDAERO CC1(C)CO[C@H](COCc2ccccc2)C[NH2+]1 ZINC000070380109 374140047 /nfs/dbraw/zinc/14/00/47/374140047.db2.gz LRYNOUSEMMUMHW-ZDUSSCGKSA-N 1 0 235.327 1.970 10 0 BDAERO CC(C)[NH2+]C[C@@]1(O)CCOC(C)(C)C1 ZINC000070531664 374146185 /nfs/dbraw/zinc/14/61/85/374146185.db2.gz VHMAMAJYTKWXGN-LLVKDONJSA-N 1 0 201.310 1.305 10 0 BDAERO C[NH+](C)CCn1ccc2c1CCCC2=O ZINC000041705303 374178536 /nfs/dbraw/zinc/17/85/36/374178536.db2.gz IBCDGNKUVXTLEV-UHFFFAOYSA-N 1 0 206.289 1.569 10 0 BDAERO C[NH2+][C@@H](C)c1csc(-n2cnnc2)n1 ZINC000070885939 374224141 /nfs/dbraw/zinc/22/41/41/374224141.db2.gz DJTAHJKNZFZSBW-LURJTMIESA-N 1 0 209.278 1.004 10 0 BDAERO O=C(NCc1ccc(O)cc1)C1CC[NH2+]CC1 ZINC000082280622 182251325 /nfs/dbraw/zinc/25/13/25/182251325.db2.gz OMOMABKRRLYFAN-UHFFFAOYSA-N 1 0 234.299 1.008 10 0 BDAERO CC(C)Oc1cncc(NC2CC[NH2+]CC2)n1 ZINC000071175964 374252014 /nfs/dbraw/zinc/25/20/14/374252014.db2.gz HPDKCWPMGJOKDI-UHFFFAOYSA-N 1 0 236.319 1.428 10 0 BDAERO [NH3+]CCCc1ncc(Br)cn1 ZINC000070947792 374234185 /nfs/dbraw/zinc/23/41/85/374234185.db2.gz OUMZOSVQTYIGOU-UHFFFAOYSA-N 1 0 216.082 1.130 10 0 BDAERO O=C(N[C@H](c1ccccc1)C1CC1)C1C[NH2+]C1 ZINC000091407056 182324602 /nfs/dbraw/zinc/32/46/02/182324602.db2.gz CMLRUUZIXWARDY-CYBMUJFWSA-N 1 0 230.311 1.473 10 0 BDAERO O=C(Nc1cc(F)ccc1F)[C@H]1CC[NH2+]C1 ZINC000062112196 182350159 /nfs/dbraw/zinc/35/01/59/182350159.db2.gz UTDNGENMGJLAST-ZETCQYMHSA-N 1 0 226.226 1.513 10 0 BDAERO O=C(Nc1ccc2[nH]cnc2c1)[C@@H]1CCC[NH2+]1 ZINC000082257912 182362760 /nfs/dbraw/zinc/36/27/60/182362760.db2.gz DPLRNMPPQPFFET-JTQLQIEISA-N 1 0 230.271 1.253 10 0 BDAERO O=C(OC[C@@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000048632785 182603630 /nfs/dbraw/zinc/60/36/30/182603630.db2.gz BRXGLVXOCBFQQB-QWRGUYRKSA-N 1 0 227.304 1.098 10 0 BDAERO O=C1c2ccccc2C[C@]12CCC[NH2+]C2 ZINC000066054967 182846227 /nfs/dbraw/zinc/84/62/27/182846227.db2.gz PDTIAUMOXOCVPA-ZDUSSCGKSA-N 1 0 201.269 1.795 10 0 BDAERO O=c1cccc2n1C[C@H]1CCC[N@H+]3CCC[C@H]2[C@H]13 ZINC000035806232 183002868 /nfs/dbraw/zinc/00/28/68/183002868.db2.gz MMCQRJPAMIHLQX-JMSVASOKSA-N 1 0 244.338 1.820 10 0 biogenic,in-vitro BDAERO O=c1ccn(CC[C@H]2CCC[NH2+]C2)cc1 ZINC000061628059 183003429 /nfs/dbraw/zinc/00/34/29/183003429.db2.gz LGVDQZNBYUOWLP-LLVKDONJSA-N 1 0 206.289 1.238 10 0 BDAERO O=c1ncccn1CC[NH2+]C1CCCCC1 ZINC000053500234 183012236 /nfs/dbraw/zinc/01/22/36/183012236.db2.gz OYTQDSZSIXZTPA-UHFFFAOYSA-N 1 0 221.304 1.166 10 0 BDAERO OCC1([NH2+]C[C@@H](O)c2ccco2)CCCCC1 ZINC000071137720 183038419 /nfs/dbraw/zinc/03/84/19/183038419.db2.gz IEBFNZAHQLWLBW-LLVKDONJSA-N 1 0 239.315 1.598 10 0 BDAERO OCC1(Nc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000040695534 183039893 /nfs/dbraw/zinc/03/98/93/183039893.db2.gz TZYDLXWBDZRGNW-UHFFFAOYSA-N 1 0 240.734 1.866 10 0 BDAERO OCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171645074 183056047 /nfs/dbraw/zinc/05/60/47/183056047.db2.gz OAYORRQTVTWJCI-GFCCVEGCSA-N 1 0 235.331 1.198 10 0 BDAERO OCCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128687687 183058604 /nfs/dbraw/zinc/05/86/04/183058604.db2.gz LXSRMRZVXADNKH-NEPJUHHUSA-N 1 0 223.320 1.339 10 0 BDAERO OCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043426788 183050110 /nfs/dbraw/zinc/05/01/10/183050110.db2.gz VWYSNSLYPIECLM-NWDGAFQWSA-N 1 0 213.321 1.402 10 0 BDAERO CCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000103505883 168990566 /nfs/dbraw/zinc/99/05/66/168990566.db2.gz NVCADMSCSYCROK-WDEREUQCSA-N 1 0 240.347 1.691 10 0 BDAERO OCC[C@H](O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000100282992 183096122 /nfs/dbraw/zinc/09/61/22/183096122.db2.gz VMVQZNDTDYGTMP-GJZGRUSLSA-N 1 0 249.354 1.642 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000165679202 183116792 /nfs/dbraw/zinc/11/67/92/183116792.db2.gz UCBQIDVPYGBHAB-RYUDHWBXSA-N 1 0 208.305 1.655 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367615165 183117681 /nfs/dbraw/zinc/11/76/81/183117681.db2.gz KFWLACBBNQDACY-UHTWSYAYSA-N 1 0 249.358 1.928 10 0 BDAERO CCCC[C@H]([NH3+])C(=O)N(CCOC)[C@@H](C)CC ZINC000042591453 169006178 /nfs/dbraw/zinc/00/61/78/169006178.db2.gz PLBORIWLYUFHNH-RYUDHWBXSA-N 1 0 244.379 1.777 10 0 BDAERO OC[C@@H]([NH2+]C1CC1)c1cc(F)ccc1F ZINC000038124371 183108145 /nfs/dbraw/zinc/10/81/45/183108145.db2.gz XDBMFPPYRZUZRX-LLVKDONJSA-N 1 0 213.227 1.750 10 0 BDAERO OC[C@@H]1[NH2+]CCc2ccc(Cl)c(F)c21 ZINC000075661362 183131550 /nfs/dbraw/zinc/13/15/50/183131550.db2.gz JFGJHYIDKPVDDP-QMMMGPOBSA-N 1 0 215.655 1.658 10 0 BDAERO OC[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC000095933402 183131638 /nfs/dbraw/zinc/13/16/38/183131638.db2.gz NPXNRVJZKSOYFA-LBPRGKRZSA-N 1 0 219.284 1.329 10 0 BDAERO OC[C@@H]1Cc2ccc(Br)cc2C[NH2+]1 ZINC000013801449 183131804 /nfs/dbraw/zinc/13/18/04/183131804.db2.gz SXNOASUKXWYZMT-JTQLQIEISA-N 1 0 242.116 1.456 10 0 BDAERO OC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000063000721 183142391 /nfs/dbraw/zinc/14/23/91/183142391.db2.gz LCFPPCURDWPZFH-ZFWWWQNUSA-N 1 0 246.354 1.546 10 0 BDAERO OC[C@@H]1[NH2+]CCc2cc(Br)ccc21 ZINC000083692716 183130942 /nfs/dbraw/zinc/13/09/42/183130942.db2.gz LOVVRDCDWZVFDR-JTQLQIEISA-N 1 0 242.116 1.628 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000152315828 183148094 /nfs/dbraw/zinc/14/80/94/183148094.db2.gz RYMGGCJVVRYMAW-PWSUYJOCSA-N 1 0 209.289 1.920 10 0 BDAERO CCCN(C(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000037096250 169045323 /nfs/dbraw/zinc/04/53/23/169045323.db2.gz ACSRQUSRYUFBCI-LLVKDONJSA-N 1 0 212.337 1.633 10 0 BDAERO OC[C@H]1CC[C@@H]2CN(Cc3ccccc3)CC[N@H+]12 ZINC000096964537 183153887 /nfs/dbraw/zinc/15/38/87/183153887.db2.gz UDRCEZMVDQGCDX-HUUCEWRRSA-N 1 0 246.354 1.328 10 0 BDAERO OC[C@H]1Cc2ccc(Br)cc2C[NH2+]1 ZINC000013801446 183156365 /nfs/dbraw/zinc/15/63/65/183156365.db2.gz SXNOASUKXWYZMT-SNVBAGLBSA-N 1 0 242.116 1.456 10 0 BDAERO OC[C@H]1[NH2+]CCc2cc(F)c(Cl)cc21 ZINC000075661364 183156552 /nfs/dbraw/zinc/15/65/52/183156552.db2.gz WJMNJXYSVLZFMJ-SNVBAGLBSA-N 1 0 215.655 1.658 10 0 BDAERO O[C@@H](C[NH2+]C1CCCC1)c1ccc2c(c1)OCO2 ZINC000032104391 183178969 /nfs/dbraw/zinc/17/89/69/183178969.db2.gz PPIBRRXUMOIVQP-LBPRGKRZSA-N 1 0 249.310 1.981 10 0 BDAERO CCCN(C(C)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747902 169048877 /nfs/dbraw/zinc/04/88/77/169048877.db2.gz HGKBAPIEAQJYRC-FOSCPWQOSA-N 1 0 210.321 1.528 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]CCc1ccccn1 ZINC000037490025 183197045 /nfs/dbraw/zinc/19/70/45/183197045.db2.gz YKIAQVQRDCNJGG-VXGBXAGGSA-N 1 0 206.289 1.127 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@@H]1Cc1ccccc1Cl ZINC000071532576 183201062 /nfs/dbraw/zinc/20/10/62/183201062.db2.gz IKZIAXAHJHHGMT-CMPLNLGQSA-N 1 0 225.719 1.853 10 0 BDAERO CCC[N@H+](C)C[C@@H](O)c1cccc(N)c1 ZINC000001846907 169077313 /nfs/dbraw/zinc/07/73/13/169077313.db2.gz GGRSNVCPKUTJON-GFCCVEGCSA-N 1 0 208.305 1.644 10 0 BDAERO O[C@@H](c1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]1 ZINC000036159555 183185860 /nfs/dbraw/zinc/18/58/60/183185860.db2.gz MDSDHGXQZKSJTA-KGLIPLIRSA-N 1 0 217.312 1.961 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cncnc1 ZINC000082991190 183187702 /nfs/dbraw/zinc/18/77/02/183187702.db2.gz CAGDERBYQONEKQ-VXGBXAGGSA-N 1 0 221.304 1.117 10 0 BDAERO O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000037883768 183188081 /nfs/dbraw/zinc/18/80/81/183188081.db2.gz MHMRDZITGNFCGM-QWHCGFSZSA-N 1 0 220.316 1.865 10 0 BDAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000037883767 183188094 /nfs/dbraw/zinc/18/80/94/183188094.db2.gz MHMRDZITGNFCGM-CHWSQXEVSA-N 1 0 220.316 1.865 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000305431621 183190390 /nfs/dbraw/zinc/19/03/90/183190390.db2.gz FGILIRGLQJCQMY-ZIAGYGMSSA-N 1 0 249.358 1.893 10 0 BDAERO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1cocn1 ZINC000192317566 183190757 /nfs/dbraw/zinc/19/07/57/183190757.db2.gz MOSSUEZUJBSRHV-GXSJLCMTSA-N 1 0 210.277 1.315 10 0 BDAERO O[C@@H]1CCC[C@@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000053924381 183195558 /nfs/dbraw/zinc/19/55/58/183195558.db2.gz ABSCUNAOIBYAGL-ZIAGYGMSSA-N 1 0 238.375 1.175 10 0 BDAERO O[C@H](C[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000019784906 183220799 /nfs/dbraw/zinc/22/07/99/183220799.db2.gz BACPWKLPTQUVHV-LLVKDONJSA-N 1 0 235.283 1.545 10 0 BDAERO O[C@H](C[N@@H+]1C[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000358985169 183222205 /nfs/dbraw/zinc/22/22/05/183222205.db2.gz UXHJWSDNCDJBQJ-GJMOJQLCSA-N 1 0 209.211 1.394 10 0 BDAERO O[C@H](C[NH2+]CCc1ccccc1)c1cccnc1 ZINC000032100367 183224397 /nfs/dbraw/zinc/22/43/97/183224397.db2.gz WZANIDHSMILRAZ-OAHLLOKOSA-N 1 0 242.322 1.947 10 0 BDAERO O[C@H](CNc1ccccn1)C[NH+]1CCCCC1 ZINC000038592726 183226440 /nfs/dbraw/zinc/22/64/40/183226440.db2.gz DWTDRXRKVNGCIC-GFCCVEGCSA-N 1 0 235.331 1.340 10 0 BDAERO O[C@H](c1cc(F)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000036161930 183228805 /nfs/dbraw/zinc/22/88/05/183228805.db2.gz GRGDWUGAXBDPSE-UFBFGSQYSA-N 1 0 227.254 1.998 10 0 BDAERO CCC[N@H+](C/C(C)=C/C(=O)[O-])C1CC[NH2+]CC1 ZINC000104268397 169090608 /nfs/dbraw/zinc/09/06/08/169090608.db2.gz NBWTXHZKAPJBKN-PKNBQFBNSA-N 1 0 240.347 1.481 10 0 BDAERO O[C@H]1COC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000053156025 183247029 /nfs/dbraw/zinc/24/70/29/183247029.db2.gz KJLCNKRIOMSYHB-QWRGUYRKSA-N 1 0 227.691 1.189 10 0 BDAERO O[C@]1(C[NH2+][C@H]2CCC[C@@H]2CCF)CCSC1 ZINC000336685889 183251878 /nfs/dbraw/zinc/25/18/78/183251878.db2.gz SPLAUIFCEYQTJM-WOPDTQHZSA-N 1 0 247.379 1.972 10 0 BDAERO O[C@@]12CC([NH+]3CCCCC3)C[C@@]1(O)CC=CC2 ZINC000005566873 183253213 /nfs/dbraw/zinc/25/32/13/183253213.db2.gz JASZDUYDLQPGOJ-KBPBESRZSA-N 1 0 237.343 1.447 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH+]1CCN(CC(F)F)CC1 ZINC000305464547 183232181 /nfs/dbraw/zinc/23/21/81/183232181.db2.gz WNGMGCLHOOMJIJ-MNOVXSKESA-N 1 0 248.317 1.173 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cccnc1 ZINC000082990915 183232965 /nfs/dbraw/zinc/23/29/65/183232965.db2.gz KJOLYZZOUNKNJM-STQMWFEESA-N 1 0 220.316 1.722 10 0 BDAERO O[C@H](CC[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000061712226 183237739 /nfs/dbraw/zinc/23/77/39/183237739.db2.gz SMSBKAMNLGSKQU-QWHCGFSZSA-N 1 0 239.290 1.316 10 0 BDAERO CCC[NH+](CCC)C[C@H](O)CN1CCCC1=O ZINC000111683711 169148718 /nfs/dbraw/zinc/14/87/18/169148718.db2.gz JTWRMVMHJWCGNI-LBPRGKRZSA-N 1 0 242.363 1.092 10 0 BDAERO CCCN(CCC)[C@@H](C[NH3+])c1cnn(C)c1 ZINC000020075349 169150267 /nfs/dbraw/zinc/15/02/67/169150267.db2.gz PULQOSFGNBTXSK-LBPRGKRZSA-N 1 0 224.352 1.542 10 0 BDAERO CCC[NH+](CCC)[C@@H](CN)[C@H]1CCOC1 ZINC000022222538 169150346 /nfs/dbraw/zinc/15/03/46/169150346.db2.gz MAVMBZITIPSSLZ-RYUDHWBXSA-N 1 0 214.353 1.472 10 0 BDAERO Oc1ccc2c(c1)C1(CO2)CC[NH2+]CC1 ZINC000113564437 183280072 /nfs/dbraw/zinc/28/00/72/183280072.db2.gz MDQBJWIJWPVYCJ-UHFFFAOYSA-N 1 0 205.257 1.406 10 0 BDAERO CCCN(CCC)C(=O)c1ccc(C[NH3+])cn1 ZINC000104215161 169146317 /nfs/dbraw/zinc/14/63/17/169146317.db2.gz CDYIBMZLVGWEQV-UHFFFAOYSA-N 1 0 235.331 1.803 10 0 BDAERO Oc1cccc(CNC2=[NH+]CCS2)c1 ZINC000083345490 183289961 /nfs/dbraw/zinc/28/99/61/183289961.db2.gz KTMXCWRNRXUEPO-UHFFFAOYSA-N 1 0 208.286 1.585 10 0 BDAERO CCCN(CC[NH3+])c1ncnc2ccccc21 ZINC000104309938 169157408 /nfs/dbraw/zinc/15/74/08/169157408.db2.gz RDXPPGFBZNLGKZ-UHFFFAOYSA-N 1 0 230.315 1.805 10 0 BDAERO CCCN([C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC000104342187 169181398 /nfs/dbraw/zinc/18/13/98/169181398.db2.gz RFAGMWRYERUWPY-MJBXVCDLSA-N 1 0 240.391 1.754 10 0 BDAERO CCCN1C(=O)C[C@H]([NH2+]CCCC(C)C)C1=O ZINC000038093755 169184361 /nfs/dbraw/zinc/18/43/61/169184361.db2.gz AZYHPCHUGWTLPS-NSHDSACASA-N 1 0 240.347 1.550 10 0 BDAERO c1c(C[NH2+][C@@H]2CCSC2)nc2n1CCCC2 ZINC000268825530 183322040 /nfs/dbraw/zinc/32/20/40/183322040.db2.gz IBFVXLGOKFOPFD-SNVBAGLBSA-N 1 0 237.372 1.815 10 0 BDAERO CCC[N@@H+]1CCCN(C(=O)NC2CC2)CC1 ZINC000109840064 169192952 /nfs/dbraw/zinc/19/29/52/169192952.db2.gz HGIBADPOYSBCSK-UHFFFAOYSA-N 1 0 225.336 1.276 10 0 BDAERO CCC[N@@H+]1CCC[C@]2(C1)c1cccnc1NC2=O ZINC000033994657 169198393 /nfs/dbraw/zinc/19/83/93/169198393.db2.gz GDMGTAXJEXAFGT-AWEZNQCLSA-N 1 0 245.326 1.777 10 0 BDAERO CCCN1CC[NH+](C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070578421 169203263 /nfs/dbraw/zinc/20/32/63/169203263.db2.gz TZVUIZKMZRKXEH-UONOGXRCSA-N 1 0 239.407 1.532 10 0 BDAERO c1cc(CCC[NH2+]C[C@H]2CCCO2)ccn1 ZINC000076276784 183336902 /nfs/dbraw/zinc/33/69/02/183336902.db2.gz QSYURRYGQVJONQ-CYBMUJFWSA-N 1 0 220.316 1.783 10 0 BDAERO CCCNC(=O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309443050 169229023 /nfs/dbraw/zinc/22/90/23/169229023.db2.gz IZWJVMBEXDUUEB-QWRGUYRKSA-N 1 0 230.327 1.631 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1cccc(F)c1 ZINC000076620396 169232906 /nfs/dbraw/zinc/23/29/06/169232906.db2.gz PTAFWAMVANLYEQ-LLVKDONJSA-N 1 0 238.306 1.784 10 0 BDAERO CCCN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190730391 169205720 /nfs/dbraw/zinc/20/57/20/169205720.db2.gz JUTFUXTWZUSLID-GFCCVEGCSA-N 1 0 223.320 1.686 10 0 BDAERO c1cc(CN2CCO[C@H]3C[NH2+]CC[C@H]32)cs1 ZINC000096082152 183346365 /nfs/dbraw/zinc/34/63/65/183346365.db2.gz LWRRFENQBBKWKH-NEPJUHHUSA-N 1 0 238.356 1.311 10 0 BDAERO CCC[N@@H+]1CCc2nc(NC)sc2C1 ZINC000061714289 169209252 /nfs/dbraw/zinc/20/92/52/169209252.db2.gz PMRHUDSXOOJIEK-UHFFFAOYSA-N 1 0 211.334 1.953 10 0 BDAERO CCC[N@@H+]1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C ZINC000006380278 169211561 /nfs/dbraw/zinc/21/15/61/169211561.db2.gz RMWFDGMVDKRISB-SNVBAGLBSA-N 1 0 245.326 1.944 10 0 BDAERO c1cc(C[NH2+][C@@H]2CN3CCC2CC3)cs1 ZINC000019946336 183353473 /nfs/dbraw/zinc/35/34/73/183353473.db2.gz HJHRWMPUNMESKC-GFCCVEGCSA-N 1 0 222.357 1.932 10 0 BDAERO CCC[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000044287564 169255685 /nfs/dbraw/zinc/25/56/85/169255685.db2.gz DPQJLCHWZUFPGI-UHFFFAOYSA-N 1 0 238.306 1.784 10 0 BDAERO CCC[NH2+]CC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000044647046 169255741 /nfs/dbraw/zinc/25/57/41/169255741.db2.gz OVJHROGQIAGCMF-MNOVXSKESA-N 1 0 212.337 1.681 10 0 BDAERO CCC[NH2+]CC(=O)N1Cc2ccccc2C1 ZINC000050912424 169256209 /nfs/dbraw/zinc/25/62/09/169256209.db2.gz XQOGYRIRJHZXBB-UHFFFAOYSA-N 1 0 218.300 1.528 10 0 BDAERO CCC[NH2+]CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000103656122 169257957 /nfs/dbraw/zinc/25/79/57/169257957.db2.gz WWJODWKKLHAJLT-PHIMTYICSA-N 1 0 238.331 1.161 10 0 BDAERO CCC[NH2+]CCN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000054267994 169258171 /nfs/dbraw/zinc/25/81/71/169258171.db2.gz UTONPLVHRCGGFH-CYBMUJFWSA-N 1 0 240.347 1.407 10 0 BDAERO c1cc(C[NH2+]CCN2CCCC2)cc2c1OCO2 ZINC000028114207 183368088 /nfs/dbraw/zinc/36/80/88/183368088.db2.gz PKGJBMGOYBSOHG-UHFFFAOYSA-N 1 0 248.326 1.601 10 0 BDAERO c1cc2c(cc1[C@@H]1C[NH2+]CCCO1)OCCCO2 ZINC000035598731 183370040 /nfs/dbraw/zinc/37/00/40/183370040.db2.gz YZSGNYSQOUPNEI-AWEZNQCLSA-N 1 0 249.310 1.899 10 0 BDAERO CCCNC(=O)N1CCC([NH2+]CC)CC1 ZINC000037469281 169234597 /nfs/dbraw/zinc/23/45/97/169234597.db2.gz NTTUWKFMNMSMDD-UHFFFAOYSA-N 1 0 213.325 1.180 10 0 BDAERO CCCNC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359105 169235429 /nfs/dbraw/zinc/23/54/29/169235429.db2.gz IVFOCHDDGFIXPB-QWRGUYRKSA-N 1 0 225.336 1.322 10 0 BDAERO CCCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917497 169235486 /nfs/dbraw/zinc/23/54/86/169235486.db2.gz VSMSUPMROJUXMK-RYUDHWBXSA-N 1 0 239.363 1.570 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccccc1 ZINC000076610030 169243851 /nfs/dbraw/zinc/24/38/51/169243851.db2.gz ANRSDZOMTNCLSI-LBPRGKRZSA-N 1 0 220.316 1.645 10 0 BDAERO c1ccc(-c2nnc(N3CC[NH2+]CC3)o2)cc1 ZINC000020270624 183384262 /nfs/dbraw/zinc/38/42/62/183384262.db2.gz DLKXBVQIVNNERM-UHFFFAOYSA-N 1 0 230.271 1.146 10 0 BDAERO CCC[NH2+][C@H](C(N)=O)c1ccccc1OC ZINC000037870194 169284858 /nfs/dbraw/zinc/28/48/58/169284858.db2.gz YSPMLIZGCHHVNL-NSHDSACASA-N 1 0 222.288 1.221 10 0 BDAERO CCC[NH2+][C@H](C(N)=O)c1ccc(OC)cc1 ZINC000037870242 169285387 /nfs/dbraw/zinc/28/53/87/169285387.db2.gz DWMXGTVUQMYWRI-NSHDSACASA-N 1 0 222.288 1.221 10 0 BDAERO CCC[NH2+]C[C@@]1(Cc2cnn(C)c2)CCOC1 ZINC000054664604 169263542 /nfs/dbraw/zinc/26/35/42/169263542.db2.gz VRWPQBSHJBCWLO-ZDUSSCGKSA-N 1 0 237.347 1.369 10 0 BDAERO CCC[NH2+]Cc1c(N(C)C)nc2ccccn21 ZINC000035434261 169265622 /nfs/dbraw/zinc/26/56/22/169265622.db2.gz QVOJGZDLCCFOKL-UHFFFAOYSA-N 1 0 232.331 1.900 10 0 BDAERO c1ccc(CC[NH2+]CC2CCOCC2)nc1 ZINC000052171851 183394170 /nfs/dbraw/zinc/39/41/70/183394170.db2.gz QRJPKEORQODZKV-UHFFFAOYSA-N 1 0 220.316 1.640 10 0 BDAERO c1ccc(CN2CCOC[C@@]23CC[NH2+]C3)cc1 ZINC000082344138 183401782 /nfs/dbraw/zinc/40/17/82/183401782.db2.gz OTBBSLWULTXETB-AWEZNQCLSA-N 1 0 232.327 1.251 10 0 BDAERO CCC[NH2+][C@@H](CC)CN1CCn2ccnc2C1 ZINC000062250689 169278257 /nfs/dbraw/zinc/27/82/57/169278257.db2.gz TVJORARCFOOSKV-LBPRGKRZSA-N 1 0 236.363 1.477 10 0 BDAERO CCCN[C@@H](CC[N@H+](C)[C@@H](C)CC)C(=O)OC ZINC000062444970 169278449 /nfs/dbraw/zinc/27/84/49/169278449.db2.gz WPCGSQUCIQEFKS-RYUDHWBXSA-N 1 0 244.379 1.648 10 0 BDAERO CCC[NH2+][C@@H](CC[N@H+](C)CC(C)(C)C)C(=O)[O-] ZINC000062523135 169278470 /nfs/dbraw/zinc/27/84/70/169278470.db2.gz ZTSQKOFVHOLPNV-NSHDSACASA-N 1 0 244.379 1.807 10 0 BDAERO CCC[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1=O ZINC000049647085 169282879 /nfs/dbraw/zinc/28/28/79/169282879.db2.gz GDROAHSSYIVASX-CYBMUJFWSA-N 1 0 248.326 1.800 10 0 BDAERO CCCOCCC(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC000054434596 169308528 /nfs/dbraw/zinc/30/85/28/169308528.db2.gz PXASUYRQPBMABN-GFCCVEGCSA-N 1 0 242.363 1.404 10 0 BDAERO CCCOCc1noc(C[C@@H]([NH3+])C(C)(C)C)n1 ZINC000104063156 169310609 /nfs/dbraw/zinc/31/06/09/169310609.db2.gz DKVFRKVKXFCIND-SECBINFHSA-N 1 0 241.335 1.912 10 0 BDAERO CCCO[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000035234732 169312272 /nfs/dbraw/zinc/31/22/72/169312272.db2.gz YWOVNFDJOGUVQK-SNVBAGLBSA-N 1 0 236.315 1.899 10 0 BDAERO CCCO[C@H]1COc2ccccc2[C@H]1[NH3+] ZINC000037024975 169313126 /nfs/dbraw/zinc/31/31/26/169313126.db2.gz HTCMEHRGWHVIIT-NWDGAFQWSA-N 1 0 207.273 1.874 10 0 BDAERO CCCOc1c(OC)cccc1[C@H]([NH3+])CO ZINC000041245800 169314126 /nfs/dbraw/zinc/31/41/26/169314126.db2.gz ZEPJTSGIZHAKPC-SNVBAGLBSA-N 1 0 225.288 1.476 10 0 BDAERO CCC[NH2+][C@H]1CCN(C[C@@H]2CCCCO2)C1=O ZINC000042821723 169291764 /nfs/dbraw/zinc/29/17/64/169291764.db2.gz MTUVYKFCZXGULO-RYUDHWBXSA-N 1 0 240.347 1.156 10 0 BDAERO CCC[NH2+][C@H]1CCN(C2CCCC2)C1=O ZINC000049647746 169292118 /nfs/dbraw/zinc/29/21/18/169292118.db2.gz GSDMCGBYQSDAQG-NSHDSACASA-N 1 0 210.321 1.530 10 0 BDAERO CCC[NH2+][C@](C)(C(N)=O)c1ccc(CC)cc1 ZINC000037513781 169294085 /nfs/dbraw/zinc/29/40/85/169294085.db2.gz ZXAZRZQCYDZFRZ-AWEZNQCLSA-N 1 0 234.343 1.949 10 0 BDAERO CCCNc1nc2c(s1)C[N@H+](C)CC2 ZINC000061714437 169296879 /nfs/dbraw/zinc/29/68/79/169296879.db2.gz QHBSCKLQJZGODZ-UHFFFAOYSA-N 1 0 211.334 1.953 10 0 BDAERO c1ccc2c(c1)OC[C@H]([C@@H]1CCC[NH2+]1)O2 ZINC000019278614 183453677 /nfs/dbraw/zinc/45/36/77/183453677.db2.gz BEVPGWLTKJHBHS-JOYOIKCWSA-N 1 0 205.257 1.578 10 0 BDAERO CCCOc1ccc([C@@H]([NH2+]C2CC2)C(N)=O)cc1 ZINC000052920247 169321269 /nfs/dbraw/zinc/32/12/69/169321269.db2.gz LIQKPJBBXWRYDJ-CYBMUJFWSA-N 1 0 248.326 1.754 10 0 BDAERO CCCOc1ccc([C@](C)(C[NH3+])CO)cc1 ZINC000071531054 169322571 /nfs/dbraw/zinc/32/25/71/169322571.db2.gz MSIGKQULSFYURN-CYBMUJFWSA-N 1 0 223.316 1.684 10 0 BDAERO CCCS(=O)(=O)N(CC[NH3+])C1CCCCC1 ZINC000020183576 169330592 /nfs/dbraw/zinc/33/05/92/169330592.db2.gz GIONRRPYARMMAU-UHFFFAOYSA-N 1 0 248.392 1.320 10 0 BDAERO c1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCOC1)O2 ZINC000038009478 183450398 /nfs/dbraw/zinc/45/03/98/183450398.db2.gz IFHRLSUGJICEBU-DGCLKSJQSA-N 1 0 233.311 1.616 10 0 BDAERO CCC[C@@H](C)[NH2+]CC(=O)N(C)C(C)C ZINC000020040804 169369376 /nfs/dbraw/zinc/36/93/76/169369376.db2.gz WWKRIDUXKVKFBB-SNVBAGLBSA-N 1 0 200.326 1.631 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116783387 169349326 /nfs/dbraw/zinc/34/93/26/169349326.db2.gz AIELDSXGHHXMPI-VXGBXAGGSA-N 1 0 242.363 1.212 10 0 BDAERO c1cnnc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000052831982 183503073 /nfs/dbraw/zinc/50/30/73/183503073.db2.gz AUMXSQHOJHKVHP-SNVBAGLBSA-N 1 0 207.277 1.245 10 0 BDAERO CCC[C@@H](C[NH3+])Cc1nnnn1-c1ccccc1 ZINC000052947122 169383652 /nfs/dbraw/zinc/38/36/52/169383652.db2.gz PCKUCBBCKLTBBQ-LLVKDONJSA-N 1 0 245.330 1.580 10 0 BDAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCC1CCCC1 ZINC000179184959 134318021 /nfs/dbraw/zinc/31/80/21/134318021.db2.gz XLRAAXJBSKOBFW-CHWSQXEVSA-N 1 0 227.348 1.384 10 0 BDAERO CCn1cc([C@@H]2OCCC[C@H]2C[NH3+])cn1 ZINC000234222405 259599182 /nfs/dbraw/zinc/59/91/82/259599182.db2.gz DGQICGWXCWYOPS-GXSJLCMTSA-N 1 0 209.293 1.329 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](CCO)COC ZINC000309702536 169419136 /nfs/dbraw/zinc/41/91/36/169419136.db2.gz NFEKQWPQKMMECI-AGIUHOORSA-N 1 0 229.364 1.942 10 0 BDAERO c1csc(CC[NH2+]CC2CCOCC2)n1 ZINC000063133958 183515412 /nfs/dbraw/zinc/51/54/12/183515412.db2.gz PDJCJIFMUCJHBP-UHFFFAOYSA-N 1 0 226.345 1.702 10 0 BDAERO CC[NH2+]C1CCN(c2ccncn2)CC1 ZINC000040862589 535452920 /nfs/dbraw/zinc/45/29/20/535452920.db2.gz FRLCTGBBZYLXSL-UHFFFAOYSA-N 1 0 206.293 1.055 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2[NH3+])C1 ZINC000076675072 166648642 /nfs/dbraw/zinc/64/86/42/166648642.db2.gz UBFVBBDUCZLJAJ-SKDRFNHKSA-N 1 0 226.320 1.735 10 0 BDAERO CO[C@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224011989 134343862 /nfs/dbraw/zinc/34/38/62/134343862.db2.gz WGRLIFSTZCYMRF-RCWTZXSCSA-N 1 0 213.321 1.424 10 0 BDAERO CCC[C@H](CC[NH3+])C(=O)NC(C)(C)C ZINC000076582813 169497809 /nfs/dbraw/zinc/49/78/09/169497809.db2.gz WSHQTLGVNIUKJJ-SECBINFHSA-N 1 0 200.326 1.666 10 0 BDAERO CC(C)[C@H](CCO)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224690507 134349580 /nfs/dbraw/zinc/34/95/80/134349580.db2.gz YJCJZPZDRXXDAY-RVMXOQNASA-N 1 0 241.375 1.797 10 0 BDAERO CCC[C@]1(C(=O)N(C)[C@@H](C)COC)CC[NH2+]C1 ZINC000062895741 169555518 /nfs/dbraw/zinc/55/55/18/169555518.db2.gz CRFSQLBPWQOLHV-AAEUAGOBSA-N 1 0 242.363 1.260 10 0 BDAERO Cc1nc(CC[NH2+]Cc2ccnc(C)n2)cs1 ZINC000226324477 134360452 /nfs/dbraw/zinc/36/04/52/134360452.db2.gz WAIXKIDBLCMPDY-UHFFFAOYSA-N 1 0 248.355 1.882 10 0 BDAERO Cc1cnc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000226405215 134365655 /nfs/dbraw/zinc/36/56/55/134365655.db2.gz JFZKTSFIUPXCDF-BDAKNGLRSA-N 1 0 239.344 1.195 10 0 BDAERO CCC[C@@H](CCO)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000227417137 134380796 /nfs/dbraw/zinc/38/07/96/134380796.db2.gz WERNYQHKESURDM-STQMWFEESA-N 1 0 228.380 1.517 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])CSc1nncn1C ZINC000087541363 383850139 /nfs/dbraw/zinc/85/01/39/383850139.db2.gz TXRIJJTWNNSICP-HTQZYQBOSA-N 1 0 214.338 1.281 10 0 BDAERO [NH3+][C@H](c1c[nH]nn1)c1ccc(Cl)cc1 ZINC000087600037 383854428 /nfs/dbraw/zinc/85/44/28/383854428.db2.gz DHYXFVHEALAOBA-VIFPVBQESA-N 1 0 208.652 1.506 10 0 BDAERO CCC[C@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000371480878 383831235 /nfs/dbraw/zinc/83/12/35/383831235.db2.gz RRLULBBKXOAGGM-QWRGUYRKSA-N 1 0 207.321 1.976 10 0 BDAERO Cc1ccc(CN2CC[C@@H]([NH3+])C2=O)s1 ZINC000050225616 383979586 /nfs/dbraw/zinc/97/95/86/383979586.db2.gz NMEAUTVRSQFDPF-SECBINFHSA-N 1 0 210.302 1.116 10 0 BDAERO Cc1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000113072951 383965867 /nfs/dbraw/zinc/96/58/67/383965867.db2.gz JOIGJWMUDGLUHY-LLVKDONJSA-N 1 0 218.304 1.069 10 0 BDAERO Cc1ccc([C@H]([NH3+])[C@@H]2COCCO2)s1 ZINC000055298795 383968563 /nfs/dbraw/zinc/96/85/63/383968563.db2.gz POOIGDLVBFMTNJ-WCBMZHEXSA-N 1 0 213.302 1.472 10 0 BDAERO O=C(Nc1ccc(F)cc1)[C@H]1C[NH2+]CCOC1 ZINC000643614671 384016718 /nfs/dbraw/zinc/01/67/18/384016718.db2.gz GXLBHOQLZXHJCN-VIFPVBQESA-N 1 0 238.262 1.000 10 0 BDAERO O=C(Nc1ccccc1F)[C@H]1C[NH2+]CCOC1 ZINC000643615256 384021282 /nfs/dbraw/zinc/02/12/82/384021282.db2.gz YRKPORXTMXLRIW-VIFPVBQESA-N 1 0 238.262 1.000 10 0 BDAERO CCn1cc(-c2ncc(C[NH3+])s2)cn1 ZINC000234269657 384033326 /nfs/dbraw/zinc/03/33/26/384033326.db2.gz XAZQADGBLRZGDT-UHFFFAOYSA-N 1 0 208.290 1.485 10 0 BDAERO COC(=O)c1ccc(C[NH+](C)C)cc1N ZINC000039087043 384101406 /nfs/dbraw/zinc/10/14/06/384101406.db2.gz MVZGCPJKOQANMP-UHFFFAOYSA-N 1 0 208.261 1.117 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cccc2ccncc21 ZINC000648131905 384103978 /nfs/dbraw/zinc/10/39/78/384103978.db2.gz WHXHYYQLOOXUGN-JTQLQIEISA-N 1 0 243.310 1.573 10 0 BDAERO Cc1cc(C)nc(-n2ncc3c2CCC[C@H]3[NH3+])n1 ZINC000072415655 384104132 /nfs/dbraw/zinc/10/41/32/384104132.db2.gz WWOLDQOFJSRKIV-LLVKDONJSA-N 1 0 243.314 1.615 10 0 BDAERO CC[NH+](CC)[C@H]1C(=O)O[C@@]2(C)CCOC[C@H]12 ZINC000039111040 384106907 /nfs/dbraw/zinc/10/69/07/384106907.db2.gz CZJYXHOMMHIACO-FOGDFJRCSA-N 1 0 227.304 1.049 10 0 BDAERO FC(F)(F)c1ccnc(C2C[NH2+]C2)c1 ZINC000091362210 384120665 /nfs/dbraw/zinc/12/06/65/384120665.db2.gz LKIBYHKQVQKVNP-UHFFFAOYSA-N 1 0 202.179 1.787 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCC[C@H]2CCOC2)C1 ZINC000401853125 384145810 /nfs/dbraw/zinc/14/58/10/384145810.db2.gz VSKWSGSVINBFTA-FRRDWIJNSA-N 1 0 227.348 1.506 10 0 BDAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c(C)s1 ZINC000643590136 384178782 /nfs/dbraw/zinc/17/87/82/384178782.db2.gz SDGFPHFOQWXDSZ-GZMMTYOYSA-N 1 0 238.356 1.927 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000227897227 134397654 /nfs/dbraw/zinc/39/76/54/134397654.db2.gz OTTAUQJVDPZHEQ-YNEHKIRRSA-N 1 0 245.363 1.179 10 0 BDAERO [NH3+][C@@H]1CCCn2c(=O)c3ccsc3nc21 ZINC000072266499 384203735 /nfs/dbraw/zinc/20/37/35/384203735.db2.gz MOYHGZHERSRARH-SSDOTTSWSA-N 1 0 221.285 1.252 10 0 BDAERO CC[C@@H]([NH3+])[C@H](C)N1CCOC(C)(C)C1 ZINC000036232350 384186195 /nfs/dbraw/zinc/18/61/95/384186195.db2.gz FQGMQPPPSKRDOW-VHSXEESVSA-N 1 0 200.326 1.223 10 0 BDAERO Cc1cccc(N(C)C(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000643629529 384191759 /nfs/dbraw/zinc/19/17/59/384191759.db2.gz OBLYFWQYOARDRM-LBPRGKRZSA-N 1 0 248.326 1.194 10 0 BDAERO C[NH2+][C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072194410 384199593 /nfs/dbraw/zinc/19/95/93/384199593.db2.gz SREOWIJUADGCQP-VIFPVBQESA-N 1 0 214.309 1.953 10 0 BDAERO Cc1nc(-c2ccccc2)nn1CC[NH3+] ZINC000082655889 384249241 /nfs/dbraw/zinc/24/92/41/384249241.db2.gz PLOKZIZVWNALQO-UHFFFAOYSA-N 1 0 202.261 1.212 10 0 BDAERO Cc1c(C[NH2+]CCOc2ccccc2)cnn1C ZINC000093650184 384257731 /nfs/dbraw/zinc/25/77/31/384257731.db2.gz IXKZDHPTECUICN-UHFFFAOYSA-N 1 0 245.326 1.897 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCc1ccccc1 ZINC000282391833 384259155 /nfs/dbraw/zinc/25/91/55/384259155.db2.gz PBCVWCICNFTCKQ-WCQYABFASA-N 1 0 232.327 1.486 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2cc[nH]n2)C[C@H](C)O1 ZINC000282376788 384263057 /nfs/dbraw/zinc/26/30/57/384263057.db2.gz XDRXYUQHHULINT-UWVGGRQHSA-N 1 0 223.320 1.703 10 0 BDAERO CC1(C[NH2+]C[C@@H]2CCCC[C@H]2O)COC1 ZINC000082994800 384273900 /nfs/dbraw/zinc/27/39/00/384273900.db2.gz VBRUCPRRAVFOAM-WDEREUQCSA-N 1 0 213.321 1.164 10 0 BDAERO COCC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082992052 384274818 /nfs/dbraw/zinc/27/48/18/384274818.db2.gz IENIWNMMIZJKFE-SRVKXCTJSA-N 1 0 215.337 1.552 10 0 BDAERO CC(C)n1cncc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000335546571 384318457 /nfs/dbraw/zinc/31/84/57/384318457.db2.gz MZJUHJSHWJHDIL-AAEUAGOBSA-N 1 0 237.347 1.667 10 0 BDAERO Cc1ccoc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335552865 384319339 /nfs/dbraw/zinc/31/93/39/384319339.db2.gz LGVSDMHKXPQZSA-BDAKNGLRSA-N 1 0 208.261 1.150 10 0 BDAERO Cc1nnc(S[C@@H]2CCC[NH2+]C2)s1 ZINC000043501701 384280294 /nfs/dbraw/zinc/28/02/94/384280294.db2.gz JEXPRHPUTDMGMK-SSDOTTSWSA-N 1 0 215.347 1.691 10 0 BDAERO Cc1ccoc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282457420 384289598 /nfs/dbraw/zinc/28/95/98/384289598.db2.gz SWDQHCVIRYEFRZ-NXEZZACHSA-N 1 0 222.288 1.345 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC1(O)CCC1 ZINC000335474847 384292764 /nfs/dbraw/zinc/29/27/64/384292764.db2.gz KPQCCOCEKYUKLN-MNOVXSKESA-N 1 0 213.321 1.137 10 0 BDAERO Clc1nccc(OCCC2CC[NH2+]CC2)n1 ZINC000095070346 384336973 /nfs/dbraw/zinc/33/69/73/384336973.db2.gz VSTFYLJFINILJA-UHFFFAOYSA-N 1 0 241.722 1.899 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1nccc(Cl)n1 ZINC000095071085 384338133 /nfs/dbraw/zinc/33/81/33/384338133.db2.gz SLDDBUOZDMVTCD-VIFPVBQESA-N 1 0 240.738 1.566 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)C(=O)c1cccs1 ZINC000095070754 384338511 /nfs/dbraw/zinc/33/85/11/384338511.db2.gz OANYXYIPBXIXSH-JTQLQIEISA-N 1 0 238.356 1.962 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)C(=O)c1cccs1 ZINC000095070895 384339009 /nfs/dbraw/zinc/33/90/09/384339009.db2.gz SGWPETKGKBFOJZ-SECBINFHSA-N 1 0 224.329 1.572 10 0 BDAERO CN(CC(=O)c1cccs1)C[C@@H]1CCC[NH2+]1 ZINC000095070996 384339362 /nfs/dbraw/zinc/33/93/62/384339362.db2.gz FGQOWPOBPBXQJO-JTQLQIEISA-N 1 0 238.356 1.615 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1ncc(F)cn1 ZINC000095071077 384339433 /nfs/dbraw/zinc/33/94/33/384339433.db2.gz RZDGXBYDYOMKON-VIFPVBQESA-N 1 0 224.283 1.052 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)C(=O)c1ccsc1 ZINC000095070760 384339594 /nfs/dbraw/zinc/33/95/94/384339594.db2.gz DYMSGJFUPKWYOU-NSHDSACASA-N 1 0 238.356 1.962 10 0 BDAERO CSc1nccnc1COC[C@H]1CC[NH2+]C1 ZINC000095071953 384340295 /nfs/dbraw/zinc/34/02/95/384340295.db2.gz ADZGTYLEBSRSSZ-VIFPVBQESA-N 1 0 239.344 1.325 10 0 BDAERO CSc1nccnc1CN[C@@H]1CCC[NH2+]C1 ZINC000095071900 384340803 /nfs/dbraw/zinc/34/08/03/384340803.db2.gz LIMBKMWRKXXIDT-SECBINFHSA-N 1 0 238.360 1.040 10 0 BDAERO CSc1nccnc1COC[C@H]1CCC[NH2+]1 ZINC000095071949 384341081 /nfs/dbraw/zinc/34/10/81/384341081.db2.gz IQEQUXAGNVOHFT-SECBINFHSA-N 1 0 239.344 1.467 10 0 BDAERO C[NH2+][C@H]1CCCN([C@@H](C)c2ccc[nH]2)C1 ZINC000095071421 384341888 /nfs/dbraw/zinc/34/18/88/384341888.db2.gz JYNWAUUYSQLSGC-QWRGUYRKSA-N 1 0 207.321 1.760 10 0 BDAERO C[NH2+][C@H]1CCCN(Cc2ccnc(Cl)n2)C1 ZINC000095071506 384342028 /nfs/dbraw/zinc/34/20/28/384342028.db2.gz WXLGVAXWBTYPNN-VIFPVBQESA-N 1 0 240.738 1.314 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nccc(Cl)n1 ZINC000095072222 384343201 /nfs/dbraw/zinc/34/32/01/384343201.db2.gz BIOZUNIZLPQNOU-SFYZADRCSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ncc(Cl)cn1 ZINC000095072214 384343390 /nfs/dbraw/zinc/34/33/90/384343390.db2.gz KHQPTAHFOZAQNV-BDAKNGLRSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+]C[C@H]1CCCCN1CC(=O)c1ccccn1 ZINC000095072441 384343478 /nfs/dbraw/zinc/34/34/78/384343478.db2.gz OPIZTQVOCIGHBM-LLVKDONJSA-N 1 0 233.315 1.078 10 0 BDAERO O=[S@@](Cc1ccncc1)C[C@H]1CCCC[NH2+]1 ZINC000095073519 384347288 /nfs/dbraw/zinc/34/72/88/384347288.db2.gz AWIJXBQBGOELJV-MLGOLLRUSA-N 1 0 238.356 1.472 10 0 BDAERO O=[S@@](C[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095073592 384347781 /nfs/dbraw/zinc/34/77/81/384347781.db2.gz YNXMROIANKSQMV-MEBBXXQBSA-N 1 0 224.329 1.189 10 0 BDAERO FC(F)(F)NCC1CC[NH+](C2CC2)CC1 ZINC000095077072 384352573 /nfs/dbraw/zinc/35/25/73/384352573.db2.gz JRRHZKIKPJWQAP-UHFFFAOYSA-N 1 0 222.254 1.970 10 0 BDAERO O=C1Nc2ccccc2CN1C[C@H]1CCC[NH2+]1 ZINC000095077845 384352818 /nfs/dbraw/zinc/35/28/18/384352818.db2.gz SBNGPKRILPAHBA-LLVKDONJSA-N 1 0 231.299 1.786 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@@H]2CO2)C1 ZINC000095082518 384357803 /nfs/dbraw/zinc/35/78/03/384357803.db2.gz LOHFUTADEFJBDN-NXEZZACHSA-N 1 0 227.304 1.049 10 0 BDAERO c1cnc(COCC[C@@H]2CCCC[NH2+]2)cn1 ZINC000095092484 384359821 /nfs/dbraw/zinc/35/98/21/384359821.db2.gz KDBGAHVGMLJAKJ-NSHDSACASA-N 1 0 221.304 1.525 10 0 BDAERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccco2)C[C@H]1C ZINC000120570638 384360372 /nfs/dbraw/zinc/36/03/72/384360372.db2.gz ONDCSLVXZPUNKL-VXGBXAGGSA-N 1 0 238.331 1.167 10 0 BDAERO Cc1cc(N[C@@H](C)CCCC[NH3+])nc(C)n1 ZINC000336675129 384328427 /nfs/dbraw/zinc/32/84/27/384328427.db2.gz VBIWNVHMZKBNGO-VIFPVBQESA-N 1 0 222.336 1.445 10 0 BDAERO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCSC1)CC2 ZINC000308829963 384329200 /nfs/dbraw/zinc/32/92/00/384329200.db2.gz ADJQVXZANAYDDZ-BDAKNGLRSA-N 1 0 223.345 1.362 10 0 BDAERO Clc1ccc(COC[C@@H]2CC[NH2+]C2)cn1 ZINC000095069857 384334124 /nfs/dbraw/zinc/33/41/24/384334124.db2.gz WYIKISMSGQUTRC-SNVBAGLBSA-N 1 0 226.707 1.861 10 0 BDAERO Clc1ccc(COC[C@H]2CC[NH2+]C2)cn1 ZINC000095069858 384334204 /nfs/dbraw/zinc/33/42/04/384334204.db2.gz WYIKISMSGQUTRC-JTQLQIEISA-N 1 0 226.707 1.861 10 0 BDAERO Cc1cnc(N2CCC[C@H]2C[NH3+])nc1Cl ZINC000095069324 384334751 /nfs/dbraw/zinc/33/47/51/384334751.db2.gz JONYLJTYLJDXPI-QMMMGPOBSA-N 1 0 226.711 1.366 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C)on1 ZINC000175341115 384426121 /nfs/dbraw/zinc/42/61/21/384426121.db2.gz NXNBNLWZELNAHD-CYBMUJFWSA-N 1 0 237.347 1.899 10 0 BDAERO CCN1CCC[C@@H]1C[N@H+](C)CCCCOC ZINC000175339291 384426826 /nfs/dbraw/zinc/42/68/26/384426826.db2.gz SDGZSNYRSUNBLB-CYBMUJFWSA-N 1 0 228.380 1.829 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262788224 384442883 /nfs/dbraw/zinc/44/28/83/384442883.db2.gz CWSNZOADTXRBSK-TUAOUCFPSA-N 1 0 226.364 1.925 10 0 BDAERO CCC[C@H](CC)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643666519 384443961 /nfs/dbraw/zinc/44/39/61/384443961.db2.gz OYKPZGHFVLWEIV-AAEUAGOBSA-N 1 0 242.363 1.450 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCC[C@H]1CCOC1 ZINC000400555148 384473227 /nfs/dbraw/zinc/47/32/27/384473227.db2.gz PPTYWSQGFXYENL-AGIUHOORSA-N 1 0 227.348 1.648 10 0 BDAERO Cc1cnccc1CC[N@H+]1CCC[C@H](O)[C@H]1C ZINC000335664044 384479661 /nfs/dbraw/zinc/47/96/61/384479661.db2.gz SAJFGRAZRRIGSQ-OCCSQVGLSA-N 1 0 234.343 1.778 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000047864630 384484390 /nfs/dbraw/zinc/48/43/90/384484390.db2.gz VULGXFHEBFITTN-MRVPVSSYSA-N 1 0 210.281 1.010 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000282520980 384517142 /nfs/dbraw/zinc/51/71/42/384517142.db2.gz YEOBVRCFZGWWBE-HBNTYKKESA-N 1 0 208.305 1.352 10 0 BDAERO NC[C@@]1([NH+]2CCCCC2)CCCSC1 ZINC000061589884 384519306 /nfs/dbraw/zinc/51/93/06/384519306.db2.gz UBGQVSBLTGKCSP-NSHDSACASA-N 1 0 214.378 1.697 10 0 BDAERO CC(C)Oc1cc(NCCC[NH3+])ncn1 ZINC000085483428 384527913 /nfs/dbraw/zinc/52/79/13/384527913.db2.gz DVAXIOIBBRGGCQ-UHFFFAOYSA-N 1 0 210.281 1.025 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000085579471 384539264 /nfs/dbraw/zinc/53/92/64/384539264.db2.gz XDHWPBRQKZCZCQ-GFCCVEGCSA-N 1 0 207.321 1.589 10 0 BDAERO Cc1ccc([C@@H]2C[C@H](O)[C@](C)(O)C[N@H+]2C)c(C)c1 ZINC000255965902 384570625 /nfs/dbraw/zinc/57/06/25/384570625.db2.gz BXHUHAQDRAWEPJ-SOUVJXGZSA-N 1 0 249.354 1.792 10 0 BDAERO Cn1ncc(Br)c1CCC[NH3+] ZINC000044281969 384574850 /nfs/dbraw/zinc/57/48/50/384574850.db2.gz NYMBUGAZYVBJBR-UHFFFAOYSA-N 1 0 218.098 1.074 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)s1 ZINC000309756005 384586351 /nfs/dbraw/zinc/58/63/51/384586351.db2.gz HOFXEMMFGQEIKH-ONGXEEELSA-N 1 0 238.356 1.813 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403255559 384609507 /nfs/dbraw/zinc/60/95/07/384609507.db2.gz JPPVWBFJJWXPQA-FVCCEPFGSA-N 1 0 238.375 1.912 10 0 BDAERO Cc1ccc([C@@H]([NH3+])Cn2cccn2)cc1 ZINC000011849706 384621353 /nfs/dbraw/zinc/62/13/53/384621353.db2.gz RJKSATWZHRQDAB-LBPRGKRZSA-N 1 0 201.273 1.892 10 0 BDAERO COc1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000084447705 384623628 /nfs/dbraw/zinc/62/36/28/384623628.db2.gz LVVQOJMJAFXRSM-UHFFFAOYSA-N 1 0 221.300 1.556 10 0 BDAERO Cc1cc(F)ccc1C[NH2+]CC1CC(O)C1 ZINC000084446713 384625028 /nfs/dbraw/zinc/62/50/28/384625028.db2.gz ARTMAYLPSWGSPI-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO COC[C@@H](C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000103432227 384625842 /nfs/dbraw/zinc/62/58/42/384625842.db2.gz VJEHYWBANDGUJW-NEPJUHHUSA-N 1 0 244.379 1.361 10 0 BDAERO COC[C@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000103520197 384628702 /nfs/dbraw/zinc/62/87/02/384628702.db2.gz JHMOVCNUJHZSDG-LBPRGKRZSA-N 1 0 242.363 1.261 10 0 BDAERO CN(CC(=O)c1ccco1)C1CC[NH2+]CC1 ZINC000050158763 384598307 /nfs/dbraw/zinc/59/83/07/384598307.db2.gz OQWQFWRPQNKPED-UHFFFAOYSA-N 1 0 222.288 1.146 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(Cl)cn1 ZINC000306747717 384674633 /nfs/dbraw/zinc/67/46/33/384674633.db2.gz JJBDPMBKRANIDL-CBAPKCEASA-N 1 0 211.696 1.661 10 0 BDAERO COc1c(C[NH2+]CCC2CC2)c(C)nn1C ZINC000127148821 384639363 /nfs/dbraw/zinc/63/93/63/384639363.db2.gz SEAQWVMXPVEHPY-UHFFFAOYSA-N 1 0 223.320 1.627 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H](c2ccc(C)cc2)C1 ZINC000082163231 384646778 /nfs/dbraw/zinc/64/67/78/384646778.db2.gz BQJVGLDXABJDHR-CHWSQXEVSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)C[C@H]1Oc2ccccc2[C@@H]1[NH3+] ZINC000082162614 384646970 /nfs/dbraw/zinc/64/69/70/384646970.db2.gz JUUWPGXFNPVDEV-KOLCDFICSA-N 1 0 207.229 1.011 10 0 BDAERO CCC[C@H](CC)NC(=O)[C@H]1CC12C[NH2+]C2 ZINC000309829103 384648195 /nfs/dbraw/zinc/64/81/95/384648195.db2.gz JFCNYIBSVHQBNA-VHSXEESVSA-N 1 0 210.321 1.291 10 0 BDAERO CN1CCO[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403397438 384653450 /nfs/dbraw/zinc/65/34/50/384653450.db2.gz OBDMLNHNRRQKFN-XJFOESAGSA-N 1 0 238.375 1.343 10 0 BDAERO Cc1ccc(OCC2CC[NH2+]CC2)nn1 ZINC000051869959 384696426 /nfs/dbraw/zinc/69/64/26/384696426.db2.gz DFTQOMAEMIUBAT-UHFFFAOYSA-N 1 0 207.277 1.163 10 0 BDAERO c1cnc(OCC[C@H]2CCCC[NH2+]2)cn1 ZINC000051871239 384697476 /nfs/dbraw/zinc/69/74/76/384697476.db2.gz GBNOAYMMKSEVCK-SNVBAGLBSA-N 1 0 207.277 1.388 10 0 BDAERO CCCN(CC)Cc1c(C(=O)OC)cnn1C ZINC000408716257 384701967 /nfs/dbraw/zinc/70/19/67/384701967.db2.gz KPWCOXRWFNSBQQ-UHFFFAOYSA-N 1 0 239.319 1.439 10 0 BDAERO CCn1ccnc1CN[C@@H]1CCC[N@H+](CC)C1 ZINC000051924012 384707037 /nfs/dbraw/zinc/70/70/37/384707037.db2.gz CAELHBVYLZBAFA-GFCCVEGCSA-N 1 0 236.363 1.477 10 0 BDAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262739062 384712357 /nfs/dbraw/zinc/71/23/57/384712357.db2.gz HMGFIPRXHQTBQS-NNYUYHANSA-N 1 0 240.347 1.140 10 0 BDAERO Cc1ccc([C@H]2CNC(=O)C23CC[NH2+]CC3)cc1 ZINC000020446236 384739426 /nfs/dbraw/zinc/73/94/26/384739426.db2.gz DKNYYDARTPZLMA-CYBMUJFWSA-N 1 0 244.338 1.578 10 0 BDAERO Cc1ccc([C@@H](N)C[NH3+])c(Br)c1 ZINC000044472397 384740718 /nfs/dbraw/zinc/74/07/18/384740718.db2.gz ZFCPVQHZXZPSHV-VIFPVBQESA-N 1 0 229.121 1.716 10 0 BDAERO C[C@@H](Cc1ccsc1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116466 384761052 /nfs/dbraw/zinc/76/10/52/384761052.db2.gz UQIVKPZLRMWZGK-GXSJLCMTSA-N 1 0 238.356 1.405 10 0 BDAERO Cc1c(C[NH2+]CCOCC2CC2)cnn1C ZINC000126234507 384780167 /nfs/dbraw/zinc/78/01/67/384780167.db2.gz KSGWTFSAZUSYGO-UHFFFAOYSA-N 1 0 223.320 1.245 10 0 BDAERO O=C(OC1CC[NH2+]CC1)N1CCCCCC1 ZINC000086229507 384772657 /nfs/dbraw/zinc/77/26/57/384772657.db2.gz NIWIDAWNDJOEDM-UHFFFAOYSA-N 1 0 226.320 1.751 10 0 BDAERO Cc1ccc(F)c([C@H](N)C[NH3+])c1Cl ZINC000072200605 384816960 /nfs/dbraw/zinc/81/69/60/384816960.db2.gz XPEDMZYDBARQAO-SSDOTTSWSA-N 1 0 202.660 1.746 10 0 BDAERO CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000042592555 384830298 /nfs/dbraw/zinc/83/02/98/384830298.db2.gz YLOACXCROLKXQS-ZJUUUORDSA-N 1 0 200.326 1.521 10 0 BDAERO COC[C@]1(C(=O)N[C@H]2CCC[C@H]2C)CCC[NH2+]1 ZINC000643684342 384788004 /nfs/dbraw/zinc/78/80/04/384788004.db2.gz MGKMHSUMPBSKPD-MDZLAQPJSA-N 1 0 240.347 1.060 10 0 BDAERO COC1CC([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000308541160 384793145 /nfs/dbraw/zinc/79/31/45/384793145.db2.gz MSNVHJHQIIRARH-UDNWOFFPSA-N 1 0 201.310 1.160 10 0 BDAERO CCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105824763 384802908 /nfs/dbraw/zinc/80/29/08/384802908.db2.gz MLLQHSJNRULADX-VXGBXAGGSA-N 1 0 214.353 1.173 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)CC(F)F ZINC000648194217 384811556 /nfs/dbraw/zinc/81/15/56/384811556.db2.gz WLDYFURVWFTLFK-DJLDLDEBSA-N 1 0 234.290 1.521 10 0 BDAERO [NH3+][C@@H](CO)c1c(F)ccc(Cl)c1F ZINC000072198053 384812323 /nfs/dbraw/zinc/81/23/23/384812323.db2.gz NSNWVMXSRAZEBW-LURJTMIESA-N 1 0 207.607 1.610 10 0 BDAERO [NH3+][C@H](CO)c1cc(F)ccc1Br ZINC000072198734 384813715 /nfs/dbraw/zinc/81/37/15/384813715.db2.gz FLRLALVSLIHJIV-MRVPVSSYSA-N 1 0 234.068 1.580 10 0 BDAERO N[C@H](C[NH3+])c1cc(O)ccc1Br ZINC000072201257 384814780 /nfs/dbraw/zinc/81/47/80/384814780.db2.gz SFDUBLFNCTVTAI-MRVPVSSYSA-N 1 0 231.093 1.113 10 0 BDAERO COC[C@@]1(C(=O)NCCC2(C)CC2)CCC[NH2+]1 ZINC000643798895 384876522 /nfs/dbraw/zinc/87/65/22/384876522.db2.gz NUMNWXBDOZVZQW-CYBMUJFWSA-N 1 0 240.347 1.061 10 0 BDAERO COC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000084191560 384846222 /nfs/dbraw/zinc/84/62/22/384846222.db2.gz XWXXMFALIKKIKK-MRVPVSSYSA-N 1 0 205.179 1.750 10 0 BDAERO C[C@@H](C[N@@H+]1CCO[C@@H](CO)C1)C1CCCCC1 ZINC000310131100 384851752 /nfs/dbraw/zinc/85/17/52/384851752.db2.gz ABCKDMXKXPKFSG-GXTWGEPZSA-N 1 0 241.375 1.896 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccon1 ZINC000174973343 384852039 /nfs/dbraw/zinc/85/20/39/384852039.db2.gz LKFPOBMGNHHMMM-WDEREUQCSA-N 1 0 249.314 1.373 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+]C1CCCC1)CC2 ZINC000364429442 384861414 /nfs/dbraw/zinc/86/14/14/384861414.db2.gz ZEXINUHVJKTCID-LLVKDONJSA-N 1 0 220.320 1.434 10 0 BDAERO C[C@H]([NH3+])c1noc(C(F)(F)Br)n1 ZINC000156772648 384953627 /nfs/dbraw/zinc/95/36/27/384953627.db2.gz AGNBFUKTSHKNLU-REOHCLBHSA-N 1 0 242.023 1.534 10 0 BDAERO Nc1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000085634563 384956250 /nfs/dbraw/zinc/95/62/50/384956250.db2.gz AOSJHRGMVQQTTJ-UHFFFAOYSA-N 1 0 210.187 1.787 10 0 BDAERO COC[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177218369 384915764 /nfs/dbraw/zinc/91/57/64/384915764.db2.gz QDPXKKSYFOZKTJ-HBNTYKKESA-N 1 0 240.347 1.010 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](Nc2ccncc2Cl)C1 ZINC000335581045 384934318 /nfs/dbraw/zinc/93/43/18/384934318.db2.gz MBAXLSRXZRNBMI-RKDXNWHRSA-N 1 0 225.723 1.839 10 0 BDAERO Cc1ccn(C[C@@H]2CCC[NH2+]C2)c(=O)c1 ZINC000057871673 384970638 /nfs/dbraw/zinc/97/06/38/384970638.db2.gz DOAHOMZLHCRFFG-LLVKDONJSA-N 1 0 206.289 1.156 10 0 BDAERO C[C@@H]([NH3+])CNC(=O)[C@@H](C)OCc1ccccc1 ZINC000404383125 384972834 /nfs/dbraw/zinc/97/28/34/384972834.db2.gz DFFYQZIZUJSWNX-GHMZBOCLSA-N 1 0 236.315 1.055 10 0 BDAERO C[C@@H]([NH3+])CNC(=O)[C@H](C)OCc1ccccc1 ZINC000404383128 384974418 /nfs/dbraw/zinc/97/44/18/384974418.db2.gz DFFYQZIZUJSWNX-MNOVXSKESA-N 1 0 236.315 1.055 10 0 BDAERO CCC[C@H]1C[C@H]1Nc1cc[nH+]cc1C(N)=O ZINC000302182267 384979406 /nfs/dbraw/zinc/97/94/06/384979406.db2.gz ZBZAJGJTBLDNJI-GZMMTYOYSA-N 1 0 219.288 1.781 10 0 BDAERO Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)[NH3+])o1 ZINC000262712772 384990994 /nfs/dbraw/zinc/99/09/94/384990994.db2.gz RWOKDVLHTPIMET-UWVGGRQHSA-N 1 0 222.288 1.599 10 0 BDAERO CS(=O)(=O)c1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000019426971 384998668 /nfs/dbraw/zinc/99/86/68/384998668.db2.gz ALVOZMFRAZGPGD-GFCCVEGCSA-N 1 0 239.340 1.905 10 0 BDAERO CC(C)[C@H](CN)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061916113 385002913 /nfs/dbraw/zinc/00/29/13/385002913.db2.gz HCFMWMXTLAOOQE-QWRGUYRKSA-N 1 0 200.326 1.081 10 0 BDAERO COC[C@H](C)OC[C@@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339502899 385004605 /nfs/dbraw/zinc/00/46/05/385004605.db2.gz FKJRUTMKEHCDIN-RYUDHWBXSA-N 1 0 245.363 1.177 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccns1 ZINC000404460953 385011074 /nfs/dbraw/zinc/01/10/74/385011074.db2.gz TUVAFPQCHRMLIX-ONGXEEELSA-N 1 0 226.345 1.784 10 0 BDAERO CO[C@H]1C[N@H+](CC2(O)CCC2)CC[C@@H]1C ZINC000334148991 385052504 /nfs/dbraw/zinc/05/25/04/385052504.db2.gz DCKLFQSEUVDFSY-QWRGUYRKSA-N 1 0 213.321 1.258 10 0 BDAERO c1ccc(N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000059843498 385058441 /nfs/dbraw/zinc/05/84/41/385058441.db2.gz BASAWAYVHDWRGU-CQSZACIVSA-N 1 0 231.343 1.171 10 0 BDAERO CCOc1ccc(NC2=[NH+]CCN2)cc1 ZINC000165683113 385028772 /nfs/dbraw/zinc/02/87/72/385028772.db2.gz XEZRJTJRQXPAAG-UHFFFAOYSA-N 1 0 205.261 1.456 10 0 BDAERO Cc1cc2c(NCC[C@H](C)[NH3+])nccn2n1 ZINC000156981738 385031161 /nfs/dbraw/zinc/03/11/61/385031161.db2.gz ALEFEZRYBIKKSZ-QMMMGPOBSA-N 1 0 219.292 1.187 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](Cc3cncs3)C2)cn1 ZINC000128384111 385031305 /nfs/dbraw/zinc/03/13/05/385031305.db2.gz WTBNAULTMWHZQH-SNVBAGLBSA-N 1 0 248.355 1.866 10 0 BDAERO Cc1ccnc(N[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000061859606 385141470 /nfs/dbraw/zinc/14/14/70/385141470.db2.gz NCHIWFKLOGHHDD-UWVGGRQHSA-N 1 0 206.293 1.467 10 0 BDAERO C[C@H]([NH3+])C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000157214314 385112737 /nfs/dbraw/zinc/11/27/37/385112737.db2.gz QXTOYQORYGHMTN-WDEREUQCSA-N 1 0 247.342 1.074 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCC(n2cncn2)CC1 ZINC000123477436 385120657 /nfs/dbraw/zinc/12/06/57/385120657.db2.gz XFYGYUOVVXGFPY-LBPRGKRZSA-N 1 0 238.335 1.076 10 0 BDAERO O=C(C1CC=CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000119702773 385141837 /nfs/dbraw/zinc/14/18/37/385141837.db2.gz ZRDHYWWFWUCCQU-ZDUSSCGKSA-N 1 0 234.343 1.649 10 0 BDAERO Cc1ccnc(N[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000061859605 385142552 /nfs/dbraw/zinc/14/25/52/385142552.db2.gz NCHIWFKLOGHHDD-VHSXEESVSA-N 1 0 206.293 1.467 10 0 BDAERO CC(C)CCOc1ccnc(C(N)=[NH2+])c1 ZINC000061814517 385139895 /nfs/dbraw/zinc/13/98/95/385139895.db2.gz KFTRECGJCASTCX-UHFFFAOYSA-N 1 0 207.277 1.791 10 0 BDAERO C[C@@H](C[NH3+])Cn1cccc(Br)c1=O ZINC000157152012 385087164 /nfs/dbraw/zinc/08/71/64/385087164.db2.gz ILRIWCUTZWJUMI-ZETCQYMHSA-N 1 0 245.120 1.206 10 0 BDAERO O=C(CCc1ccccc1O)NC[C@@H]1CC[NH2+]C1 ZINC000646967363 385093864 /nfs/dbraw/zinc/09/38/64/385093864.db2.gz KOLTXTIRAWUCJM-LLVKDONJSA-N 1 0 248.326 1.051 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1cc(F)ccc1Cl ZINC000152550619 385191085 /nfs/dbraw/zinc/19/10/85/385191085.db2.gz LOADUOHEUUWYEP-RXMQYKEDSA-N 1 0 216.643 1.765 10 0 BDAERO Cc1cncc(CN2[C@H](C)COC[C@@H]2C)c1 ZINC000189898074 385193674 /nfs/dbraw/zinc/19/36/74/385193674.db2.gz XARGVGIIXYJJGU-TXEJJXNPSA-N 1 0 220.316 1.999 10 0 BDAERO FCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000129900360 385198148 /nfs/dbraw/zinc/19/81/48/385198148.db2.gz XXSZSBQGBIIRFW-UHFFFAOYSA-N 1 0 225.311 1.955 10 0 BDAERO Cc1nc(N2C[C@H]([NH3+])C[C@H]2C)sc1C ZINC000307590152 385199404 /nfs/dbraw/zinc/19/94/04/385199404.db2.gz BPQCSLOSCSMTCZ-HZGVNTEJSA-N 1 0 211.334 1.686 10 0 BDAERO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)o1 ZINC000408048069 385171093 /nfs/dbraw/zinc/17/10/93/385171093.db2.gz KTYJCMINRJVJNK-SZEHBUNVSA-N 1 0 237.303 1.097 10 0 BDAERO [NH3+][C@H]1CCCN([C@H]2CCCCCC2=O)C1 ZINC000062749585 385228311 /nfs/dbraw/zinc/22/83/11/385228311.db2.gz QRMRGCBVQQZYCM-QWRGUYRKSA-N 1 0 210.321 1.311 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H](F)CN1Cc1cccs1 ZINC000307212291 385252408 /nfs/dbraw/zinc/25/24/08/385252408.db2.gz OWUQEEHZKUTZSJ-BDAKNGLRSA-N 1 0 214.309 1.619 10 0 BDAERO CCCCOCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000157908788 385305487 /nfs/dbraw/zinc/30/54/87/385305487.db2.gz PTLQBRWJTSBEBD-VXGBXAGGSA-N 1 0 242.363 1.165 10 0 BDAERO N[C@H](C[NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000072201037 385324172 /nfs/dbraw/zinc/32/41/72/385324172.db2.gz NQUIWOCACFTELF-MRVPVSSYSA-N 1 0 222.185 1.803 10 0 BDAERO CCc1ccc(-n2cc(C[NH3+])nn2)cc1 ZINC000050224109 385311623 /nfs/dbraw/zinc/31/16/23/385311623.db2.gz LNCLONFOKSBFCC-UHFFFAOYSA-N 1 0 202.261 1.288 10 0 BDAERO [NH3+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000050224132 385312267 /nfs/dbraw/zinc/31/22/67/385312267.db2.gz QUFNZELIEASNKC-UHFFFAOYSA-N 1 0 226.642 1.519 10 0 BDAERO O=C(c1cccnc1)[C@H]1C[NH+]2CCC1CC2 ZINC000215681466 385322025 /nfs/dbraw/zinc/32/20/25/385322025.db2.gz RGGAUHXIXAZGTO-LBPRGKRZSA-N 1 0 216.284 1.606 10 0 BDAERO OCCC[NH2+]Cc1ccc(Cl)nc1 ZINC000034187728 385273599 /nfs/dbraw/zinc/27/35/99/385273599.db2.gz ZOLCSAMOIIPTOU-UHFFFAOYSA-N 1 0 200.669 1.207 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000311068994 385302150 /nfs/dbraw/zinc/30/21/50/385302150.db2.gz CRIQDRVIYRNCJE-CABCVRRESA-N 1 0 249.354 1.885 10 0 BDAERO CCCn1ccc2ccn(CC[NH3+])c(=O)c21 ZINC000409424411 385331775 /nfs/dbraw/zinc/33/17/75/385331775.db2.gz ZTVQSXMDRVYTAY-UHFFFAOYSA-N 1 0 219.288 1.172 10 0 BDAERO O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H](C(F)F)C1 ZINC000409424489 385332481 /nfs/dbraw/zinc/33/24/81/385332481.db2.gz BZRMBLPPYWOURU-IUCAKERBSA-N 1 0 232.274 1.242 10 0 BDAERO Cc1nnc2n1C[C@@H]([NH2+]CC(C)C)CC2 ZINC000308988076 385334044 /nfs/dbraw/zinc/33/40/44/385334044.db2.gz KIAUGOJYONEIRH-JTQLQIEISA-N 1 0 208.309 1.147 10 0 BDAERO CC(C)COCC[NH2+][C@H]1CCO[C@H]1C ZINC000120598729 385365139 /nfs/dbraw/zinc/36/51/39/385365139.db2.gz YDELOFNKZUJISV-QWRGUYRKSA-N 1 0 201.310 1.426 10 0 BDAERO O=C(CC1CC[NH2+]CC1)N1CCC(CF)CC1 ZINC000409428815 385326865 /nfs/dbraw/zinc/32/68/65/385326865.db2.gz NJBUANHHWIMQHC-UHFFFAOYSA-N 1 0 242.338 1.584 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CCC[C@H](C(C)(F)F)C1 ZINC000409428820 385327591 /nfs/dbraw/zinc/32/75/91/385327591.db2.gz NJDSXDAZJGBWOQ-YUMQZZPRSA-N 1 0 220.263 1.227 10 0 BDAERO C[NH2+]CC(C)(C)N1C(=O)c2ccccc2C1=O ZINC000259408848 385425377 /nfs/dbraw/zinc/42/53/77/385425377.db2.gz YKBYEIAAMDVASH-UHFFFAOYSA-N 1 0 232.283 1.281 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)C1CCCC1 ZINC000644051923 385399862 /nfs/dbraw/zinc/39/98/62/385399862.db2.gz LVUXMIXHRDRBFX-KOLCDFICSA-N 1 0 224.348 1.679 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]Cc2nccs2)CN1C ZINC000155830874 385416520 /nfs/dbraw/zinc/41/65/20/385416520.db2.gz WAOLHCGYMKLVIA-BDAKNGLRSA-N 1 0 211.334 1.325 10 0 BDAERO c1cnn([C@H](c2ccccc2)C2C[NH2+]C2)n1 ZINC000169726612 385418426 /nfs/dbraw/zinc/41/84/26/385418426.db2.gz ARXWLZFUBOVHOK-GFCCVEGCSA-N 1 0 214.272 1.087 10 0 BDAERO C=Cn1cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cn1 ZINC000193965211 385418893 /nfs/dbraw/zinc/41/88/93/385418893.db2.gz FEPMQJHECNDZKD-GXTWGEPZSA-N 1 0 246.358 1.652 10 0 BDAERO COC(=O)[C@@H](N)[C@@H](C)Sc1ccc(F)cc1 ZINC000169726745 385418876 /nfs/dbraw/zinc/41/88/76/385418876.db2.gz KPDQXUKODDSXQM-XCBNKYQSSA-N 1 0 243.303 1.807 10 0 BDAERO C[N@@H+]1CC[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000259433554 385439932 /nfs/dbraw/zinc/43/99/32/385439932.db2.gz JLNVDWXHEBVFQV-LLVKDONJSA-N 1 0 204.273 1.205 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)c2cn(C)nc2C)c1 ZINC000179292766 385457672 /nfs/dbraw/zinc/45/76/72/385457672.db2.gz QQALPAWXCLNCRL-LLVKDONJSA-N 1 0 247.346 1.584 10 0 BDAERO C[C@H]1C[C@@H](NCc2cscn2)C[N@@H+]1C ZINC000156201313 385441479 /nfs/dbraw/zinc/44/14/79/385441479.db2.gz CBFLILFDMREALB-DTWKUNHWSA-N 1 0 211.334 1.325 10 0 BDAERO C[C@@H]1CSC[C@H](c2ccc(F)cn2)[NH2+]1 ZINC000156483867 385455500 /nfs/dbraw/zinc/45/55/00/385455500.db2.gz YFPYIVOVUMZKNN-GMSGAONNSA-N 1 0 212.293 1.987 10 0 BDAERO CC[C@@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000309188575 385455691 /nfs/dbraw/zinc/45/56/91/385455691.db2.gz PHHCYIRWNDYPST-SECBINFHSA-N 1 0 208.309 1.431 10 0 BDAERO C=Cn1cc(C[NH2+][C@H]2CCCN(CC)C2)cn1 ZINC000194350752 385431915 /nfs/dbraw/zinc/43/19/15/385431915.db2.gz JRRKXMDVKVKEIW-ZDUSSCGKSA-N 1 0 234.347 1.558 10 0 BDAERO Cc1cnn(CC[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000194398108 385433689 /nfs/dbraw/zinc/43/36/89/385433689.db2.gz PULGZGVVZFYHHP-LBPRGKRZSA-N 1 0 221.304 1.474 10 0 BDAERO OCCCCC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762265 385466609 /nfs/dbraw/zinc/46/66/09/385466609.db2.gz DWZGHMGTFFCSMS-GFCCVEGCSA-N 1 0 215.337 1.386 10 0 BDAERO C[C@@H]1C[C@]2(CC[N@@H+]1C)NCCCS2 ZINC000156984639 385478655 /nfs/dbraw/zinc/47/86/55/385478655.db2.gz JDOPQBNBZPLYHI-NXEZZACHSA-N 1 0 200.351 1.523 10 0 BDAERO C[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)CCO1 ZINC000378666614 385458697 /nfs/dbraw/zinc/45/86/97/385458697.db2.gz GUCKQXLWCMNVCF-WUHRBBMRSA-N 1 0 227.348 1.695 10 0 BDAERO Cc1cnc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)s1 ZINC000282044252 385491235 /nfs/dbraw/zinc/49/12/35/385491235.db2.gz ATYYZLVKBHIMQU-IUCAKERBSA-N 1 0 239.344 1.208 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cccs1 ZINC000282054537 385492898 /nfs/dbraw/zinc/49/28/98/385492898.db2.gz BEIVKFZJNTTWQD-WPRPVWTQSA-N 1 0 224.329 1.505 10 0 BDAERO C[C@@H]1CSCC[N@@H+]1C1CCC(=O)CC1 ZINC000157246144 385493723 /nfs/dbraw/zinc/49/37/23/385493723.db2.gz GRGCRPOPVQUGLA-SECBINFHSA-N 1 0 213.346 1.935 10 0 BDAERO CC(C)COCCCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111263925 385498762 /nfs/dbraw/zinc/49/87/62/385498762.db2.gz VUGHGEIJJUTYKJ-NEPJUHHUSA-N 1 0 242.363 1.021 10 0 BDAERO CC(C)CCOCCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111272122 385499182 /nfs/dbraw/zinc/49/91/82/385499182.db2.gz QHKIWUDTRRUDBA-RYUDHWBXSA-N 1 0 242.363 1.021 10 0 BDAERO CC(C)=CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171617309 385501676 /nfs/dbraw/zinc/50/16/76/385501676.db2.gz RNZNXBLAPDSSPJ-LBPRGKRZSA-N 1 0 220.320 1.881 10 0 BDAERO COc1cc(C)nc(NC[C@@H]([NH3+])C(C)C)n1 ZINC000166463039 385504178 /nfs/dbraw/zinc/50/41/78/385504178.db2.gz LYSQMEOXPWQUOQ-SECBINFHSA-N 1 0 224.308 1.189 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000106387088 385508372 /nfs/dbraw/zinc/50/83/72/385508372.db2.gz AGVFYUWEFVXHQC-STQMWFEESA-N 1 0 237.347 1.599 10 0 BDAERO CC(C)c1nn(C)cc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000302308236 385510701 /nfs/dbraw/zinc/51/07/01/385510701.db2.gz CGVFVBJQVDZCQZ-SECBINFHSA-N 1 0 236.319 1.092 10 0 BDAERO CC[C@H]([NH3+])[C@H](O)c1cc(C)c(O)c(C)c1 ZINC000036779333 385535343 /nfs/dbraw/zinc/53/53/43/385535343.db2.gz NEQKXWPFJSCGNH-CMPLNLGQSA-N 1 0 209.289 1.780 10 0 BDAERO C[C@]1(O)CC[N@H+](C[C@H]2Cc3ccccc3O2)C1 ZINC000300011047 385522832 /nfs/dbraw/zinc/52/28/32/385522832.db2.gz AKZOADIKCSHSAE-OCCSQVGLSA-N 1 0 233.311 1.447 10 0 BDAERO CCCc1nsc(N2CCC(C)([NH3+])CC2)n1 ZINC000643028696 385524279 /nfs/dbraw/zinc/52/42/79/385524279.db2.gz SOUCPFBFQXHVHP-UHFFFAOYSA-N 1 0 240.376 1.808 10 0 BDAERO Cc1nocc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000295326054 385553862 /nfs/dbraw/zinc/55/38/62/385553862.db2.gz LOOPLAQDXQHTQM-LBPRGKRZSA-N 1 0 221.304 1.263 10 0 BDAERO CC(C)Cn1c(C[NH3+])nc2cccnc21 ZINC000082532153 385561059 /nfs/dbraw/zinc/56/10/59/385561059.db2.gz CLLIKVNZVBWGOU-UHFFFAOYSA-N 1 0 204.277 1.546 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(Cc1ccccc1)C1CC1 ZINC000054072391 385596320 /nfs/dbraw/zinc/59/63/20/385596320.db2.gz GLQCXGCENXOHRR-LLVKDONJSA-N 1 0 232.327 1.786 10 0 BDAERO CCc1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000055421264 385641881 /nfs/dbraw/zinc/64/18/81/385641881.db2.gz MVTOBZDNZQSTTF-SECBINFHSA-N 1 0 206.289 1.795 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000055421309 385642944 /nfs/dbraw/zinc/64/29/44/385642944.db2.gz IOYGZWVHBSUDJK-SSDOTTSWSA-N 1 0 242.706 1.895 10 0 BDAERO Cc1nc(C)c(C[NH2+][C@H]2CCO[C@@H]2C)o1 ZINC000311734098 385643867 /nfs/dbraw/zinc/64/38/67/385643867.db2.gz DXCLPZFSWJYBTP-SCZZXKLOSA-N 1 0 210.277 1.558 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000121145199 385646216 /nfs/dbraw/zinc/64/62/16/385646216.db2.gz GHTQSUCJMCJFLE-AEJSXWLSSA-N 1 0 201.310 1.160 10 0 BDAERO Cc1c(C[NH2+]Cc2cccc(CO)c2)cnn1C ZINC000229809265 385673957 /nfs/dbraw/zinc/67/39/57/385673957.db2.gz KKCVETJXHSHPFL-UHFFFAOYSA-N 1 0 245.326 1.511 10 0 BDAERO CC(C)(C)OC(=O)NC[C@H]([NH3+])c1cncnc1 ZINC000211350151 385681966 /nfs/dbraw/zinc/68/19/66/385681966.db2.gz IFWSZKFWRSKRLF-VIFPVBQESA-N 1 0 238.291 1.001 10 0 BDAERO Fc1ccc(C[NH2+]C[C@H]2CCCOC2)nc1 ZINC000309551788 385683262 /nfs/dbraw/zinc/68/32/62/385683262.db2.gz GDONHJHHIDPYKF-SNVBAGLBSA-N 1 0 224.279 1.737 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000309611148 385740602 /nfs/dbraw/zinc/74/06/02/385740602.db2.gz AFKDAMUJYGRVMW-HOSYDEDBSA-N 1 0 221.304 1.375 10 0 BDAERO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccoc1)C1CC1 ZINC000284038636 385742724 /nfs/dbraw/zinc/74/27/24/385742724.db2.gz JTCNRLDUZORTOU-LLVKDONJSA-N 1 0 243.328 1.192 10 0 BDAERO CC(C)N(CC1CC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116542 385761087 /nfs/dbraw/zinc/76/10/87/385761087.db2.gz GKCKXWQMTKOTQH-LLVKDONJSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1ccc(N(C)C)cc1 ZINC000063170489 385778433 /nfs/dbraw/zinc/77/84/33/385778433.db2.gz HLZZXZKMSQXSAC-SNVBAGLBSA-N 1 0 235.331 1.220 10 0 BDAERO c1ccc([C@H]2C[C@@H]2CN[C@H]2CC[NH2+]C2)cc1 ZINC000647800980 385809187 /nfs/dbraw/zinc/80/91/87/385809187.db2.gz NKVPDBYRICBXSL-HZSPNIEDSA-N 1 0 216.328 1.742 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1OC ZINC000215990930 385857326 /nfs/dbraw/zinc/85/73/26/385857326.db2.gz BNGQVWYNCWYKLE-ZYHUDNBSSA-N 1 0 249.310 1.561 10 0 BDAERO CC[N@@H+]1CCCOC[C@H]1c1ccncn1 ZINC000616597109 385819979 /nfs/dbraw/zinc/81/99/79/385819979.db2.gz NCSWWZZJKGLEQG-NSHDSACASA-N 1 0 207.277 1.260 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1cccc(CCO)c1 ZINC000616636484 385832032 /nfs/dbraw/zinc/83/20/32/385832032.db2.gz BNOVTPFEDXZCIY-HNNXBMFYSA-N 1 0 248.370 1.576 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336738355 385837124 /nfs/dbraw/zinc/83/71/24/385837124.db2.gz OCXISJBIDBKFKA-GMTAPVOTSA-N 1 0 224.348 1.822 10 0 BDAERO CNc1cccc([C@H]2COCCN2CC[NH3+])c1 ZINC000616638280 385840724 /nfs/dbraw/zinc/84/07/24/385840724.db2.gz DTFYGHKIRZGIMR-CYBMUJFWSA-N 1 0 235.331 1.060 10 0 BDAERO C/C(=C\Cl)C[C@]1([NH3+])CCS(=O)(=O)C1 ZINC000575528649 385849138 /nfs/dbraw/zinc/84/91/38/385849138.db2.gz UCMXVJKFKWTCPF-WVXIBAHESA-N 1 0 223.725 1.035 10 0 BDAERO CO[C@@H]1COCC[C@]12[NH2+]C[C@@H](C)CS2 ZINC000307314299 385849173 /nfs/dbraw/zinc/84/91/73/385849173.db2.gz VIZPYMGSBJGDBW-OPRDCNLKSA-N 1 0 217.334 1.091 10 0 BDAERO CC(C)(O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000271595756 385849234 /nfs/dbraw/zinc/84/92/34/385849234.db2.gz SYGNPKZULLCRHG-ZDUSSCGKSA-N 1 0 235.327 1.349 10 0 BDAERO CCSCC[NH2+]CCc1noc(CC)n1 ZINC000336767843 385929612 /nfs/dbraw/zinc/92/96/12/385929612.db2.gz SUBMAVUNQWJEFK-UHFFFAOYSA-N 1 0 229.349 1.517 10 0 BDAERO C[C@@H]1CC[C@@](O)([C@H]2CCC[NH2+]2)CS1 ZINC000575535612 385913166 /nfs/dbraw/zinc/91/31/66/385913166.db2.gz ULXSTYAGTKUZDA-BBBLOLIVSA-N 1 0 201.335 1.385 10 0 BDAERO Cc1cn[nH]c1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000294910238 385913352 /nfs/dbraw/zinc/91/33/52/385913352.db2.gz DXULGRZTILLXJL-GXSJLCMTSA-N 1 0 209.293 1.063 10 0 BDAERO CC[C@@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000336767847 385929724 /nfs/dbraw/zinc/92/97/24/385929724.db2.gz SUEJWXOMYUPPLG-ZYHUDNBSSA-N 1 0 215.337 1.552 10 0 BDAERO C[C@@]1(O)CCCC[C@@H]1[NH2+]C1CSC1 ZINC000575537078 385915350 /nfs/dbraw/zinc/91/53/50/385915350.db2.gz FVHSMZHGYWELLJ-VHSXEESVSA-N 1 0 201.335 1.385 10 0 BDAERO Cc1cnccc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000294923626 385917227 /nfs/dbraw/zinc/91/72/27/385917227.db2.gz FUENUAFJPBCCJP-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO FC1(F)CCC[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000335035751 385926386 /nfs/dbraw/zinc/92/63/86/385926386.db2.gz YPWLDECCPYKRAI-IUCAKERBSA-N 1 0 204.264 1.516 10 0 BDAERO CN1C[C@H]([NH2+]C2CSC2)CC1(C)C ZINC000575531460 385875378 /nfs/dbraw/zinc/87/53/78/385875378.db2.gz OFBPLZIPQQWHPR-MRVPVSSYSA-N 1 0 200.351 1.174 10 0 BDAERO CC(C)(O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088022866 385982620 /nfs/dbraw/zinc/98/26/20/385982620.db2.gz VHLVFENFJMWLFW-DGCLKSJQSA-N 1 0 227.348 1.384 10 0 BDAERO COc1ncc(C[NH2+][C@H]2CCO[C@@H]2C)s1 ZINC000309007770 385933183 /nfs/dbraw/zinc/93/31/83/385933183.db2.gz NULMRKKLBNYUOI-APPZFPTMSA-N 1 0 228.317 1.419 10 0 BDAERO COc1ncc(C[NH2+][C@H]2CCO[C@H]2C)s1 ZINC000309007771 385934787 /nfs/dbraw/zinc/93/47/87/385934787.db2.gz NULMRKKLBNYUOI-CBAPKCEASA-N 1 0 228.317 1.419 10 0 BDAERO [NH3+][C@H](CO)c1cc(F)cc(C(F)(F)F)c1 ZINC000072198445 385975194 /nfs/dbraw/zinc/97/51/94/385975194.db2.gz BMKLBPPBGVGXOT-MRVPVSSYSA-N 1 0 223.169 1.837 10 0 BDAERO Cl/C=C/C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000307702371 385999063 /nfs/dbraw/zinc/99/90/63/385999063.db2.gz PEYPWQGTHSCSPK-VBWGBGESSA-N 1 0 201.697 1.850 10 0 BDAERO COc1ncc(C[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000309398651 386006630 /nfs/dbraw/zinc/00/66/30/386006630.db2.gz UAKRYVLEZSAUNZ-RKDXNWHRSA-N 1 0 242.344 1.545 10 0 BDAERO COC(=O)c1ccc2c(c1)CC[C@H](C[NH3+])C2 ZINC000261311300 386018779 /nfs/dbraw/zinc/01/87/79/386018779.db2.gz WYCWGJVPNZKJTI-VIFPVBQESA-N 1 0 219.284 1.537 10 0 BDAERO Cc1cnn(CC[NH2+]C2CC(OC(C)C)C2)c1 ZINC000189532163 386023412 /nfs/dbraw/zinc/02/34/12/386023412.db2.gz YEDMZQRCVXJWER-UHFFFAOYSA-N 1 0 237.347 1.737 10 0 BDAERO CCc1ccccc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000334991035 386043948 /nfs/dbraw/zinc/04/39/48/386043948.db2.gz WZNXFIPHDZLMPI-LSDHHAIUSA-N 1 0 246.354 1.422 10 0 BDAERO Cc1nnc(C[C@]2([NH3+])CCSC2)s1 ZINC000575564294 386048823 /nfs/dbraw/zinc/04/88/23/386048823.db2.gz FEJXYTAXIIEJKV-MRVPVSSYSA-N 1 0 215.347 1.223 10 0 BDAERO CC(C)(CO)[NH2+][C@H]1CCCCC[C@H]1O ZINC000037888296 386101734 /nfs/dbraw/zinc/10/17/34/386101734.db2.gz PVIDOLSHTQVVFL-VHSXEESVSA-N 1 0 201.310 1.041 10 0 BDAERO C[C@H]([NH3+])c1cnc(-c2cnccn2)s1 ZINC000054159362 386111143 /nfs/dbraw/zinc/11/11/43/386111143.db2.gz BNJZKHNLJASZOC-LURJTMIESA-N 1 0 206.274 1.620 10 0 BDAERO C[C@@H]([NH3+])c1cnc(-c2ncccn2)s1 ZINC000054159325 386111768 /nfs/dbraw/zinc/11/17/68/386111768.db2.gz BVRMKPOWEVYNIZ-ZCFIWIBFSA-N 1 0 206.274 1.620 10 0 BDAERO COc1ccc(C[NH2+]C[C@@H](O)CCl)cc1 ZINC000034161164 386072487 /nfs/dbraw/zinc/07/24/87/386072487.db2.gz HNJOCEAUEPLIAL-JTQLQIEISA-N 1 0 229.707 1.385 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403320475 386093291 /nfs/dbraw/zinc/09/32/91/386093291.db2.gz JZNOSLPUOAVGQY-LZQZFOIKSA-N 1 0 222.332 1.371 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1S[C@@H]1CCOC1 ZINC000575574911 386173782 /nfs/dbraw/zinc/17/37/82/386173782.db2.gz CGQAONIJMAAKIM-ZYUZMQFOSA-N 1 0 201.335 1.634 10 0 BDAERO c1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc1 ZINC000076679468 386131145 /nfs/dbraw/zinc/13/11/45/386131145.db2.gz NQOZBPSEWFZGRL-KGLIPLIRSA-N 1 0 232.327 1.249 10 0 BDAERO [NH3+]CCc1nnc2ccc(-c3cccs3)nn21 ZINC000058021829 386290277 /nfs/dbraw/zinc/29/02/77/386290277.db2.gz BVOBTWRRNXEDFJ-UHFFFAOYSA-N 1 0 245.311 1.354 10 0 BDAERO C[C@@H]1CCN1[C@]1(C[NH3+])CCS[C@@H]1C ZINC000575589077 386311128 /nfs/dbraw/zinc/31/11/28/386311128.db2.gz GKQRHCAGWWNUFP-BBBLOLIVSA-N 1 0 200.351 1.304 10 0 BDAERO Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)nc1 ZINC000425526272 386312504 /nfs/dbraw/zinc/31/25/04/386312504.db2.gz JNBDKPJTHAVQPV-RWMBFGLXSA-N 1 0 247.342 1.378 10 0 BDAERO Cc1cnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)nc1 ZINC000425526274 386312688 /nfs/dbraw/zinc/31/26/88/386312688.db2.gz JNBDKPJTHAVQPV-YNEHKIRRSA-N 1 0 247.342 1.378 10 0 BDAERO [NH3+]CC[C@H](Nc1ncc(F)cn1)C(F)F ZINC000394815509 386444398 /nfs/dbraw/zinc/44/43/98/386444398.db2.gz QWVXBPGXEPIGOU-LURJTMIESA-N 1 0 220.198 1.010 10 0 BDAERO Cc1cnc(C[N@@H+]2CCC[C@@H]2CCCO)nc1 ZINC000336722335 386446018 /nfs/dbraw/zinc/44/60/18/386446018.db2.gz ZYGLCHNLCVDJNW-GFCCVEGCSA-N 1 0 235.331 1.522 10 0 BDAERO COC(C)(C)CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000336694523 386389205 /nfs/dbraw/zinc/38/92/05/386389205.db2.gz LMHOZIDBIOWNPA-OLZOCXBDSA-N 1 0 240.391 1.970 10 0 BDAERO COC[C@]1(C(=O)N[C@H](C)C2CC2)CCCC[NH2+]1 ZINC000637892746 386524354 /nfs/dbraw/zinc/52/43/54/386524354.db2.gz LXXDXJVRBNEQIG-MFKMUULPSA-N 1 0 240.347 1.060 10 0 BDAERO CC[NH2+]Cc1ncccc1Br ZINC000231758484 386526692 /nfs/dbraw/zinc/52/66/92/386526692.db2.gz YYRKZKTYLSZEQC-UHFFFAOYSA-N 1 0 215.094 1.954 10 0 BDAERO C[C@@H]1OCC[C@H]1Nc1cc(N2CCCC2)ncn1 ZINC000277714539 386461445 /nfs/dbraw/zinc/46/14/45/386461445.db2.gz HEPAYMFDTZWEEN-WDEREUQCSA-N 1 0 248.330 1.666 10 0 BDAERO COC[C@@]1(C[NH3+])CCCN1C(=O)OC(C)(C)C ZINC000238853228 386535062 /nfs/dbraw/zinc/53/50/62/386535062.db2.gz IRXUXKIPLKNYOK-LBPRGKRZSA-N 1 0 244.335 1.361 10 0 BDAERO CC(C)(C)[C@@H]1CCC2(OCCO2)[C@@H]([NH3+])C1 ZINC000238856526 386537459 /nfs/dbraw/zinc/53/74/59/386537459.db2.gz WDPSIBMZAOPEPT-ZJUUUORDSA-N 1 0 213.321 1.903 10 0 BDAERO CC(C)CCN(C)C(=O)[C@H]1CC(F)(F)CN1 ZINC000645413421 386549545 /nfs/dbraw/zinc/54/95/45/386549545.db2.gz YBOWZRMHKADVCV-SECBINFHSA-N 1 0 234.290 1.488 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ncnn3C2)[C@@H]1C ZINC000336781591 386605060 /nfs/dbraw/zinc/60/50/60/386605060.db2.gz VBWPBNPYDAZJCM-ZNSHCXBVSA-N 1 0 220.320 1.227 10 0 BDAERO CCC[C@@H](C(=O)NCC1CCOCC1)[NH+](C)C ZINC000179139279 386617350 /nfs/dbraw/zinc/61/73/50/386617350.db2.gz LQZVQYMUUGHHIC-LBPRGKRZSA-N 1 0 242.363 1.260 10 0 BDAERO CCN1CC[C@]2(C1)[NH2+]C(C)(C)CS2 ZINC000306680857 386663261 /nfs/dbraw/zinc/66/32/61/386663261.db2.gz MKAMOWYQXXJJAZ-JTQLQIEISA-N 1 0 200.351 1.523 10 0 BDAERO Cc1ccc2c(c1)[C@H]([NH2+]CCn1cncn1)CC2 ZINC000268804723 386663702 /nfs/dbraw/zinc/66/37/02/386663702.db2.gz HCQBBUXPLCTWEB-CQSZACIVSA-N 1 0 242.326 1.864 10 0 BDAERO CC[N@@H+]1CC[C@](O)(c2ccsc2C)C1 ZINC000307481836 386681330 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386964799 /nfs/dbraw/zinc/96/47/99/386964799.db2.gz YEVHTJMLJMMKAB-WISYIIOYSA-N 1 0 226.364 1.911 10 0 BDAERO COC(C)(C)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398726829 386968834 /nfs/dbraw/zinc/96/88/34/386968834.db2.gz UJOVXHKNFFEKTC-RWMBFGLXSA-N 1 0 241.375 1.894 10 0 BDAERO CCC[C@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116783394 386975641 /nfs/dbraw/zinc/97/56/41/386975641.db2.gz AIELDSXGHHXMPI-RYUDHWBXSA-N 1 0 242.363 1.212 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC000398760654 386984357 /nfs/dbraw/zinc/98/43/57/386984357.db2.gz BVHJPVGVEKWHHN-BFHYXJOUSA-N 1 0 232.327 1.674 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398749466 386984537 /nfs/dbraw/zinc/98/45/37/386984537.db2.gz VGBTZCJIAOMODL-RVMXOQNASA-N 1 0 227.348 1.240 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1S[C@H]1CCOC1 ZINC000575575851 387005676 /nfs/dbraw/zinc/00/56/76/387005676.db2.gz OAMUAVZMOCSCSJ-AEJSXWLSSA-N 1 0 201.335 1.778 10 0 BDAERO COC[C@](C)([NH3+])c1nc(C)c(C)s1 ZINC000053199575 387006457 /nfs/dbraw/zinc/00/64/57/387006457.db2.gz RSWBKUZONAJPJB-VIFPVBQESA-N 1 0 200.307 1.580 10 0 BDAERO O[C@@H](c1ccsc1)[C@@H]1CSCC[NH2+]1 ZINC000575463010 387043213 /nfs/dbraw/zinc/04/32/13/387043213.db2.gz ZZLMDQDLHJERQU-IUCAKERBSA-N 1 0 215.343 1.487 10 0 BDAERO C[C@@H]1CN([C@]2(C[NH3+])CCSC2)[C@H]1C ZINC000575582762 387059789 /nfs/dbraw/zinc/05/97/89/387059789.db2.gz HPQJJGYVZZTTQK-UTLUCORTSA-N 1 0 200.351 1.161 10 0 BDAERO Cc1cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)no1 ZINC000228062974 387063414 /nfs/dbraw/zinc/06/34/14/387063414.db2.gz UIPZJQGTSCVMPX-ZWNOBZJWSA-N 1 0 235.331 1.652 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000648022922 387018717 /nfs/dbraw/zinc/01/87/17/387018717.db2.gz RCTINOJQLZYDSE-GHMZBOCLSA-N 1 0 226.364 1.912 10 0 BDAERO C[C@@H]1CN[C@]2(CCC[NH2+]CC2)SC1 ZINC000575576844 387028685 /nfs/dbraw/zinc/02/86/85/387028685.db2.gz VYPXHASEMWSMNY-NXEZZACHSA-N 1 0 200.351 1.429 10 0 BDAERO CC[N@H+](CCO)C[C@@H]1Cc2ccccc2O1 ZINC000085537826 387069260 /nfs/dbraw/zinc/06/92/60/387069260.db2.gz VXTCUKSTXVVOIQ-LBPRGKRZSA-N 1 0 221.300 1.304 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1c1nc(C2CC2)no1 ZINC000071001039 387088276 /nfs/dbraw/zinc/08/82/76/387088276.db2.gz SYHZGHIYBCXHEG-BDAKNGLRSA-N 1 0 207.277 1.932 10 0 BDAERO O=C1OCC[C@]12CCC[N@@H+]2C1CCCC1 ZINC000186744725 387131236 /nfs/dbraw/zinc/13/12/36/387131236.db2.gz GBAKOCGVKSSPTB-GFCCVEGCSA-N 1 0 209.289 1.711 10 0 BDAERO CS[C@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186510665 387106577 /nfs/dbraw/zinc/10/65/77/387106577.db2.gz RNEXVCZZBODVTM-ZJUUUORDSA-N 1 0 242.388 1.481 10 0 BDAERO ClC(Cl)=CCNC1=[NH+]CCCCN1 ZINC000575471538 387108928 /nfs/dbraw/zinc/10/89/28/387108928.db2.gz LMMJCHFAUMXOLQ-UHFFFAOYSA-N 1 0 222.119 1.634 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H](C)C1 ZINC000335025960 387118530 /nfs/dbraw/zinc/11/85/30/387118530.db2.gz WVYXKHPVPJFFPP-GHMZBOCLSA-N 1 0 212.337 1.762 10 0 BDAERO CC(C)[C@@](C)(O)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000187048524 387153264 /nfs/dbraw/zinc/15/32/64/387153264.db2.gz VWCIVBNSRSLRIC-PIGZVRMJSA-N 1 0 241.375 1.486 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1C/C(Cl)=C\Cl ZINC000575587219 387156149 /nfs/dbraw/zinc/15/61/49/387156149.db2.gz CNGNPVKYMURGRB-CMLODEHUSA-N 1 0 209.120 1.727 10 0 BDAERO C[C@]1(Cn2cc(Br)cn2)CC[NH2+]C1 ZINC000575478441 387162942 /nfs/dbraw/zinc/16/29/42/387162942.db2.gz FZHYJJCGBZKRNX-VIFPVBQESA-N 1 0 244.136 1.645 10 0 BDAERO CC(=O)Nc1cc(F)c(C[NH3+])cc1F ZINC000536952960 387165863 /nfs/dbraw/zinc/16/58/63/387165863.db2.gz GBOSCQOWIDWTTO-UHFFFAOYSA-N 1 0 200.188 1.382 10 0 BDAERO [NH3+]C[C@H](c1ccccc1O)C1(CO)CCC1 ZINC000536953442 387166786 /nfs/dbraw/zinc/16/67/86/387166786.db2.gz JOMPRIGQUQLCAP-LLVKDONJSA-N 1 0 221.300 1.597 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000229395154 387168283 /nfs/dbraw/zinc/16/82/83/387168283.db2.gz MJZNVYJBPXWHAD-RDBSUJKOSA-N 1 0 241.375 1.774 10 0 BDAERO CC(C)(C)c1nc2[nH]ccc2c(NN)[nH+]1 ZINC000536956015 387169086 /nfs/dbraw/zinc/16/90/86/387169086.db2.gz WHLQLZQAOAUSRV-UHFFFAOYSA-N 1 0 205.265 1.541 10 0 BDAERO C[C@@H]1C[C@@](O)(C[NH2+]Cc2ccccc2)CCO1 ZINC000536956249 387169355 /nfs/dbraw/zinc/16/93/55/387169355.db2.gz XTJZYHQLKPLGLI-TZMCWYRMSA-N 1 0 235.327 1.706 10 0 BDAERO C[C@@H](NC(=O)OCc1ccccc1)C1=[NH+]CCN1 ZINC000536957310 387170517 /nfs/dbraw/zinc/17/05/17/387170517.db2.gz CWNJYUQRQKBNIB-SNVBAGLBSA-N 1 0 247.298 1.303 10 0 BDAERO CCC[C@@H]1COC[C@@]12[NH2+][C@H](C)CS2 ZINC000575481139 387171094 /nfs/dbraw/zinc/17/10/94/387171094.db2.gz MYTJESZLEZOODU-BBBLOLIVSA-N 1 0 201.335 1.854 10 0 BDAERO COc1ccc([C@@H]2CO[C@H](C[NH3+])C2)cc1OC ZINC000536957737 387171502 /nfs/dbraw/zinc/17/15/02/387171502.db2.gz JUQJQVLGXRYWJE-QWRGUYRKSA-N 1 0 237.299 1.535 10 0 BDAERO CC[C@@H](C)C[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187157267 387172917 /nfs/dbraw/zinc/17/29/17/387172917.db2.gz ZQQXGQDAFRRSBX-LLVKDONJSA-N 1 0 236.363 1.886 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(N)c2)C1 ZINC000062964249 387187104 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/nfs/dbraw/zinc/09/73/42/388097342.db2.gz QHHODEKJELTGSM-QUBYGPBYSA-N 1 0 215.680 1.729 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCN2CCC[C@@H]2C1 ZINC000086933140 388111517 /nfs/dbraw/zinc/11/15/17/388111517.db2.gz VTMJPONLCLXPRP-FRRDWIJNSA-N 1 0 224.348 1.070 10 0 BDAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646094436 388140912 /nfs/dbraw/zinc/14/09/12/388140912.db2.gz ZJEXEBVQBRFQNA-UMSGYPCISA-N 1 0 241.375 1.941 10 0 BDAERO COc1cccnc1N[C@@H](C)C[C@H](C)[NH3+] ZINC000165736240 388252869 /nfs/dbraw/zinc/25/28/69/388252869.db2.gz ZCPHAMKWGGDQKB-IUCAKERBSA-N 1 0 209.293 1.628 10 0 BDAERO CC(=O)NCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336662491 388260527 /nfs/dbraw/zinc/26/05/27/388260527.db2.gz KIPWOFZLCNAFGG-NWDGAFQWSA-N 1 0 230.327 1.631 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)NC1CCCC1 ZINC000227833173 388371905 /nfs/dbraw/zinc/37/19/05/388371905.db2.gz BAUDEJMKPFSKET-CKYFFXLPSA-N 1 0 240.347 1.201 10 0 BDAERO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000300621345 388382004 /nfs/dbraw/zinc/38/20/04/388382004.db2.gz LDKPIVLXBLOUEL-MJBXVCDLSA-N 1 0 238.375 1.582 10 0 BDAERO CCOCCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236836782 388384353 /nfs/dbraw/zinc/38/43/53/388384353.db2.gz ROPUWLARZUAVJC-CYBMUJFWSA-N 1 0 242.363 1.452 10 0 BDAERO Cc1sccc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000293485680 388389829 /nfs/dbraw/zinc/38/98/29/388389829.db2.gz GFXDTZXXHHMJAG-GFCCVEGCSA-N 1 0 240.372 1.477 10 0 BDAERO Cc1nocc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000293583242 388390962 /nfs/dbraw/zinc/39/09/62/388390962.db2.gz NVPGKAKFDDEFFR-ONGXEEELSA-N 1 0 210.277 1.234 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000294200154 388396838 /nfs/dbraw/zinc/39/68/38/388396838.db2.gz SVQRKOLEDBWGDS-VXGBXAGGSA-N 1 0 245.330 1.684 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CCc2ccccc2)C1 ZINC000334746156 388447180 /nfs/dbraw/zinc/44/71/80/388447180.db2.gz OCBIVOSPMLSSPB-JSGCOSHPSA-N 1 0 219.328 1.932 10 0 BDAERO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1 ZINC000334744982 388447424 /nfs/dbraw/zinc/44/74/24/388447424.db2.gz BSLYMULEPVBOTB-YPMHNXCESA-N 1 0 235.327 1.898 10 0 BDAERO Cc1cc(C)c(CN[C@@H]2CC[NH2+]C2)cn1 ZINC000334869944 388447862 /nfs/dbraw/zinc/44/78/62/388447862.db2.gz RGXPVQXLJSFRRU-GFCCVEGCSA-N 1 0 205.305 1.150 10 0 BDAERO CCC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCC1 ZINC000322867084 388449064 /nfs/dbraw/zinc/44/90/64/388449064.db2.gz VHEXXMWCUHHGIM-KGLIPLIRSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C)cn1 ZINC000335363283 388449589 /nfs/dbraw/zinc/44/95/89/388449589.db2.gz PVBXSNVMODNUPE-AAEUAGOBSA-N 1 0 220.316 1.735 10 0 BDAERO Cc1c(F)cccc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000335497755 388450571 /nfs/dbraw/zinc/45/05/71/388450571.db2.gz YTXNPYMPRFSOPQ-QPUJVOFHSA-N 1 0 236.290 1.553 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1CCSCC1 ZINC000335439659 388450855 /nfs/dbraw/zinc/45/08/55/388450855.db2.gz VWRFHUOMPWWFNR-PSASIEDQSA-N 1 0 228.361 1.078 10 0 BDAERO CC(C)n1cncc1C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000335597205 388451462 /nfs/dbraw/zinc/45/14/62/388451462.db2.gz PEIZNOLRMQBETQ-DGCLKSJQSA-N 1 0 237.347 1.809 10 0 BDAERO Cc1cncc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c1 ZINC000335587962 388452087 /nfs/dbraw/zinc/45/20/87/388452087.db2.gz CUTNFPFWIYIFLT-AAEUAGOBSA-N 1 0 220.316 1.593 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1CC(F)(F)C1 ZINC000336122186 388455874 /nfs/dbraw/zinc/45/58/74/388455874.db2.gz NLNLAPSNIIJXJX-APPZFPTMSA-N 1 0 232.274 1.275 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cn1 ZINC000336610737 388458723 /nfs/dbraw/zinc/45/87/23/388458723.db2.gz ZGKKZSUCYBOYEX-CMPLNLGQSA-N 1 0 233.315 1.147 10 0 BDAERO O=C1C[N@H+](C2CCCC2)[C@@H]2CCCC[C@H]2N1 ZINC000245619975 388426166 /nfs/dbraw/zinc/42/61/66/388426166.db2.gz NLAMATHBVPFPMK-VXGBXAGGSA-N 1 0 222.332 1.672 10 0 BDAERO CCc1ccc([C@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000070459820 388436921 /nfs/dbraw/zinc/43/69/21/388436921.db2.gz PKJZLFBXZPQNFW-OAHLLOKOSA-N 1 0 249.354 1.739 10 0 BDAERO Cc1c(C[NH2+]C[C@]2(O)CCC[C@H]2C)cnn1C ZINC000336892211 388437078 /nfs/dbraw/zinc/43/70/78/388437078.db2.gz JLMMMRYYGWRVSM-ZWNOBZJWSA-N 1 0 237.347 1.369 10 0 BDAERO O=C(O[C@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000086229586 256778099 /nfs/dbraw/zinc/77/80/99/256778099.db2.gz QLPFRPZYWYWTNR-JTQLQIEISA-N 1 0 212.293 1.361 10 0 BDAERO COC(=O)C1(N2CCC([NH3+])CC2)CCCCC1 ZINC000066054902 388547104 /nfs/dbraw/zinc/54/71/04/388547104.db2.gz XWCYATCWGBPGFT-UHFFFAOYSA-N 1 0 240.347 1.285 10 0 BDAERO COC(C[N@@H+]1CCC[C@H]1c1cnn(C)c1)OC ZINC000136758907 388548099 /nfs/dbraw/zinc/54/80/99/388548099.db2.gz QHKBJXWSECNNLH-NSHDSACASA-N 1 0 239.319 1.176 10 0 BDAERO CC(C)CNC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000339514533 388484929 /nfs/dbraw/zinc/48/49/29/388484929.db2.gz XJAPODHNUKKLIJ-NSHDSACASA-N 1 0 226.364 1.925 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339817190 388487324 /nfs/dbraw/zinc/48/73/24/388487324.db2.gz GIHLPTOMIDWEEE-OLZOCXBDSA-N 1 0 229.364 1.894 10 0 BDAERO CCC[C@H](CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC000378752681 388496926 /nfs/dbraw/zinc/49/69/26/388496926.db2.gz PTCSXAVBIXOZSW-HZSPNIEDSA-N 1 0 240.391 1.970 10 0 BDAERO C[C@@H](C[NH3+])Nc1ncc(Cl)cc1F ZINC000086711258 256798492 /nfs/dbraw/zinc/79/84/92/256798492.db2.gz LMRBTUUDMZUMDN-YFKPBYRVSA-N 1 0 203.648 1.633 10 0 BDAERO CN(C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000397874626 388508359 /nfs/dbraw/zinc/50/83/59/388508359.db2.gz LFUGYGLNFWVNHE-TUAOUCFPSA-N 1 0 238.375 1.484 10 0 BDAERO c1cnn(-c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC000082656554 388587596 /nfs/dbraw/zinc/58/75/96/388587596.db2.gz MOYRIKYZBJHAEJ-UHFFFAOYSA-N 1 0 228.299 1.282 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000549813195 388591995 /nfs/dbraw/zinc/59/19/95/388591995.db2.gz QTMGHOGXRMRRIR-ITGUQSILSA-N 1 0 237.347 1.737 10 0 BDAERO [NH3+][C@H]1C[C@H](NCCn2cncn2)c2ccccc21 ZINC000362976776 388562659 /nfs/dbraw/zinc/56/26/59/388562659.db2.gz LSAVYUVTZCILDA-STQMWFEESA-N 1 0 243.314 1.013 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2CCCOC2)[C@H]2CCO[C@@H]21 ZINC000367889338 388567340 /nfs/dbraw/zinc/56/73/40/388567340.db2.gz ZFSUTOZJDHQIPE-QCNOEVLYSA-N 1 0 225.332 1.569 10 0 BDAERO CC(C)CCC[NH2+][C@H]1CCc2ncnn2C1 ZINC000371282939 388570594 /nfs/dbraw/zinc/57/05/94/388570594.db2.gz FAZFEGXCTZVPCX-NSHDSACASA-N 1 0 222.336 1.619 10 0 BDAERO COC[C@H](C)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000125940614 388683535 /nfs/dbraw/zinc/68/35/35/388683535.db2.gz QEFQZRWOXKVOQY-QWHCGFSZSA-N 1 0 228.380 1.731 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000246302021 388629318 /nfs/dbraw/zinc/62/93/18/388629318.db2.gz BGGOYOJRMHVQLJ-WDCWCFNPSA-N 1 0 237.347 1.319 10 0 BDAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000246567333 388644574 /nfs/dbraw/zinc/64/45/74/388644574.db2.gz XQENYWWCKCSWAV-NDBYEHHHSA-N 1 0 226.364 1.482 10 0 BDAERO CC(C)(C)C(=O)Nc1cccc(C[NH3+])n1 ZINC000074379900 388649965 /nfs/dbraw/zinc/64/99/65/388649965.db2.gz FTJLDMUUGPQDGL-UHFFFAOYSA-N 1 0 207.277 1.525 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H](C)CCCOC)C1 ZINC000246903987 388655433 /nfs/dbraw/zinc/65/54/33/388655433.db2.gz GAIAFLNSZPSTFJ-OLZOCXBDSA-N 1 0 228.380 1.875 10 0 BDAERO CCOCCN1CC[N@H+](CCSC)C[C@H]1C ZINC000247224178 388660394 /nfs/dbraw/zinc/66/03/94/388660394.db2.gz QTNMPDCNNAADPL-GFCCVEGCSA-N 1 0 246.420 1.392 10 0 BDAERO CC(C)OC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227065428 388739418 /nfs/dbraw/zinc/73/94/18/388739418.db2.gz BDWSWVHPBVPEIJ-QWRGUYRKSA-N 1 0 226.320 1.700 10 0 BDAERO [NH3+]C1(Cc2ccc(Br)s2)COC1 ZINC000575452009 388746610 /nfs/dbraw/zinc/74/66/10/388746610.db2.gz ABWQNCGDMKLTBR-UHFFFAOYSA-N 1 0 248.145 1.781 10 0 BDAERO [NH3+][C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1 ZINC000399718990 388702501 /nfs/dbraw/zinc/70/25/01/388702501.db2.gz DGHIZVKGQDKHJR-MNOVXSKESA-N 1 0 207.277 1.082 10 0 BDAERO CCC[C@H](C)[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000249271368 388713778 /nfs/dbraw/zinc/71/37/78/388713778.db2.gz KOGXRWZLOTWUHR-AVGNSLFASA-N 1 0 228.380 1.562 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)OC(C)C)C1 ZINC000127097876 388714565 /nfs/dbraw/zinc/71/45/65/388714565.db2.gz PAEFPHYFAPOYEJ-SNVBAGLBSA-N 1 0 214.309 1.605 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cnccn1 ZINC000226435074 388719188 /nfs/dbraw/zinc/71/91/88/388719188.db2.gz NTMGBEGZNKRIMF-OPRDCNLKSA-N 1 0 207.277 1.305 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1nccn1C ZINC000226439739 388719599 /nfs/dbraw/zinc/71/95/99/388719599.db2.gz SZTZAOLEBIRXQI-OPRDCNLKSA-N 1 0 209.293 1.248 10 0 BDAERO C[NH2+][C@H](C(N)=O)c1ccc(OC(F)(F)F)cc1 ZINC000037869909 388729899 /nfs/dbraw/zinc/72/98/99/388729899.db2.gz GPLICTLLZSPSAY-QMMMGPOBSA-N 1 0 248.204 1.331 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC(C)C ZINC000128820909 388796940 /nfs/dbraw/zinc/79/69/40/388796940.db2.gz WFRJNIHTQOXCKP-NSHDSACASA-N 1 0 227.352 1.521 10 0 BDAERO CCOC(=O)Cc1c[nH+]cc(C(F)(F)F)c1N ZINC000575341576 388800681 /nfs/dbraw/zinc/80/06/81/388800681.db2.gz VFPFUWJIQWJZCH-UHFFFAOYSA-N 1 0 248.204 1.619 10 0 BDAERO [NH3+]C1(Cc2cnsn2)CCSCC1 ZINC000575461202 388807013 /nfs/dbraw/zinc/80/70/13/388807013.db2.gz NIDSNTJBWNVVBK-UHFFFAOYSA-N 1 0 215.347 1.305 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1C[C@@H]1C ZINC000227896303 388761000 /nfs/dbraw/zinc/76/10/00/388761000.db2.gz CZAAXDBOFDNISC-SDDRHHMPSA-N 1 0 215.337 1.410 10 0 BDAERO Cc1cc(-c2nnc(CC[NH3+])o2)c(C)o1 ZINC000050283872 177694445 /nfs/dbraw/zinc/69/44/45/177694445.db2.gz FWSYOYROJRUEKZ-UHFFFAOYSA-N 1 0 207.233 1.448 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1CSC1 ZINC000575487120 388874495 /nfs/dbraw/zinc/87/44/95/388874495.db2.gz KZISQSMGLYVLNU-SCZZXKLOSA-N 1 0 200.351 1.161 10 0 BDAERO COC[C@H](C)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000153360441 388966008 /nfs/dbraw/zinc/96/60/08/388966008.db2.gz NWZJCHPQHQOUPO-CHWSQXEVSA-N 1 0 230.396 1.835 10 0 BDAERO CC(C)[C@H]1C[C@@]2(CO1)[NH2+]C[C@@H](C)S2 ZINC000575500765 388990312 /nfs/dbraw/zinc/99/03/12/388990312.db2.gz HXWBOVHWYXDUTA-OPRDCNLKSA-N 1 0 201.335 1.853 10 0 BDAERO [NH3+][C@@H]1CO[C@@H](c2ccc(Br)cn2)C1 ZINC000575506424 388991621 /nfs/dbraw/zinc/99/16/21/388991621.db2.gz ABLBNLHYOFCZNE-IONNQARKSA-N 1 0 243.104 1.633 10 0 BDAERO CC[C@@H]1CS[C@@]2(CO[C@H](CC)C2)[NH2+]1 ZINC000575509933 389004309 /nfs/dbraw/zinc/00/43/09/389004309.db2.gz RERCKHCQFFGXTD-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]1CN(c2cc(C[NH3+])ccn2)C[C@@H](C)O1 ZINC000019258752 132324288 /nfs/dbraw/zinc/32/42/88/132324288.db2.gz XQGJZQMWOAJTNK-NXEZZACHSA-N 1 0 221.304 1.154 10 0 BDAERO CC[C@H]1C[NH2+]CCN1c1nc(C)cc(C)n1 ZINC000082476612 132413630 /nfs/dbraw/zinc/41/36/30/132413630.db2.gz POXXIQMPZKBAEJ-NSHDSACASA-N 1 0 220.320 1.282 10 0 BDAERO C[C@@H](NCc1cccc2c1OCO2)[C@H]1CC[NH2+]C1 ZINC000400696586 533457970 /nfs/dbraw/zinc/45/79/70/533457970.db2.gz JFZUIVZKIRSKSD-MNOVXSKESA-N 1 0 248.326 1.503 10 0 BDAERO CN(CCC[NH3+])c1ncnc2ccsc21 ZINC000037673620 322828919 /nfs/dbraw/zinc/82/89/19/322828919.db2.gz WYEJRNPSZFNDOV-UHFFFAOYSA-N 1 0 222.317 1.476 10 0 BDAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccncc1 ZINC000084447631 322835972 /nfs/dbraw/zinc/83/59/72/322835972.db2.gz ZEBGMYCOEWJAMW-GRZMOONWSA-N 1 0 206.289 1.503 10 0 BDAERO Cc1cccc2c1N(C)C[C@H](C1=[NH+]CCN1)O2 ZINC000013518743 132322040 /nfs/dbraw/zinc/32/20/40/132322040.db2.gz TZBSYCKGTLRGAL-LLVKDONJSA-N 1 0 231.299 1.194 10 0 BDAERO C[C@@H]1CCCN(c2ccc(C(N)=[NH2+])cn2)C1 ZINC000019438868 132325097 /nfs/dbraw/zinc/32/50/97/132325097.db2.gz XGHKPUSYORDJIN-SECBINFHSA-N 1 0 218.304 1.602 10 0 BDAERO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cc2)C[C@H](C)O1 ZINC000019865724 132327816 /nfs/dbraw/zinc/32/78/16/132327816.db2.gz KGDMHXWCZCZMIC-AOOOYVTPSA-N 1 0 233.315 1.584 10 0 BDAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCOCC1 ZINC000019871975 132328274 /nfs/dbraw/zinc/32/82/74/132328274.db2.gz FRDFFOAKJNKBGU-SECBINFHSA-N 1 0 224.279 1.682 10 0 BDAERO C[C@H](C(N)=S)[NH+]1CCN(c2ccccc2)CC1 ZINC000019935820 132328873 /nfs/dbraw/zinc/32/88/73/132328873.db2.gz HFAFGQKHNWLORE-LLVKDONJSA-N 1 0 249.383 1.483 10 0 BDAERO NC(=[NH2+])c1ccccc1N1CCCC[C@@H]1CCO ZINC000020076104 132329656 /nfs/dbraw/zinc/32/96/56/132329656.db2.gz UHJZLUWKBVQGAY-LLVKDONJSA-N 1 0 247.342 1.712 10 0 BDAERO COC1CCN(c2ccccc2C[NH3+])CC1 ZINC000020267333 132330672 /nfs/dbraw/zinc/33/06/72/132330672.db2.gz FUKYBLSXOSIGJI-UHFFFAOYSA-N 1 0 220.316 1.761 10 0 BDAERO [NH3+]Cc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000020423155 132331555 /nfs/dbraw/zinc/33/15/55/132331555.db2.gz IOLJUSFWBRRIPC-UHFFFAOYSA-N 1 0 218.256 1.189 10 0 BDAERO O=C1Nc2cccc(Cl)c2N2CC[NH2+]C[C@@H]12 ZINC000026150859 132333696 /nfs/dbraw/zinc/33/36/96/132333696.db2.gz ZOAVGEYDKIJWOH-VIFPVBQESA-N 1 0 237.690 1.070 10 0 BDAERO C[NH+]1CCN(c2ccc(N)c3ncccc23)CC1 ZINC000035059845 132337639 /nfs/dbraw/zinc/33/76/39/132337639.db2.gz ODGVNVGQFVATNY-UHFFFAOYSA-N 1 0 242.326 1.569 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1c1cc(C[NH3+])ccn1 ZINC000035782481 132339719 /nfs/dbraw/zinc/33/97/19/132339719.db2.gz QVJICWHLBLYRMS-ZJUUUORDSA-N 1 0 221.304 1.154 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1c1ncccc1C[NH3+] ZINC000035782473 132339774 /nfs/dbraw/zinc/33/97/74/132339774.db2.gz KYORFWCUUABZJE-ZJUUUORDSA-N 1 0 221.304 1.154 10 0 BDAERO [NH3+]Cc1ccccc1N1CCC[C@H](CO)C1 ZINC000036205504 132340818 /nfs/dbraw/zinc/34/08/18/132340818.db2.gz AUXIESFHCKZAMZ-NSHDSACASA-N 1 0 220.316 1.354 10 0 BDAERO CC(=O)N1c2ccccc2CC[C@@H]1C[NH3+] ZINC000036765600 132342493 /nfs/dbraw/zinc/34/24/93/132342493.db2.gz XNXYAURTYBFWGY-LLVKDONJSA-N 1 0 204.273 1.313 10 0 BDAERO O=C([O-])CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960354 132343326 /nfs/dbraw/zinc/34/33/26/132343326.db2.gz XPVVFRLNIGICLX-UHFFFAOYSA-N 1 0 249.314 1.115 10 0 BDAERO C[C@H]1CCc2ccccc2N1C[C@H](O)C[NH3+] ZINC000036998741 132343466 /nfs/dbraw/zinc/34/34/66/132343466.db2.gz IXMSZWDXRJFHNP-CMPLNLGQSA-N 1 0 220.316 1.147 10 0 BDAERO CN1c2ccccc2[C@@H]([NH2+]C2CC2)CC1=O ZINC000037183860 132343626 /nfs/dbraw/zinc/34/36/26/132343626.db2.gz AWIVSTZGXWFZJS-NSHDSACASA-N 1 0 216.284 1.846 10 0 BDAERO C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037258073 132344166 /nfs/dbraw/zinc/34/41/66/132344166.db2.gz LGIUOUVQCHCHIW-MWLCHTKSSA-N 1 0 234.299 1.065 10 0 BDAERO COC1CCN(c2ncccc2C[NH3+])CC1 ZINC000037265600 132344246 /nfs/dbraw/zinc/34/42/46/132344246.db2.gz VCSWLSKBWXNDQG-UHFFFAOYSA-N 1 0 221.304 1.156 10 0 BDAERO CC[C@H]1CN(c2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039952555 132347002 /nfs/dbraw/zinc/34/70/02/132347002.db2.gz MKXKKTQJLYUIHK-NSHDSACASA-N 1 0 248.326 1.661 10 0 BDAERO CC[C@@H]1CN(c2ccccc2C(=O)OC)CC[NH2+]1 ZINC000039952554 132347104 /nfs/dbraw/zinc/34/71/04/132347104.db2.gz MKXKKTQJLYUIHK-LLVKDONJSA-N 1 0 248.326 1.661 10 0 BDAERO C[NH2+]CCN1C(=O)CCc2cc(F)ccc21 ZINC000042410398 132351373 /nfs/dbraw/zinc/35/13/73/132351373.db2.gz MCPASWIWTBFCCV-UHFFFAOYSA-N 1 0 222.263 1.324 10 0 BDAERO [NH3+]Cc1cc(F)ccc1N1CCC[C@@H](O)C1 ZINC000042469662 132352580 /nfs/dbraw/zinc/35/25/80/132352580.db2.gz GUEQOQOTEIVIPF-LLVKDONJSA-N 1 0 224.279 1.246 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCCNC1=O ZINC000043323543 132352846 /nfs/dbraw/zinc/35/28/46/132352846.db2.gz ZHXSGHWAUJTROD-UHFFFAOYSA-N 1 0 219.288 1.326 10 0 BDAERO Cc1ccc(N2CCCC[C@H]2C[NH3+])nn1 ZINC000044559842 132354475 /nfs/dbraw/zinc/35/44/75/132354475.db2.gz ZEOHROQLIQQYKL-JTQLQIEISA-N 1 0 206.293 1.103 10 0 BDAERO [NH3+]CCCCCN1CC(=O)Nc2ccccc21 ZINC000049580638 132356278 /nfs/dbraw/zinc/35/62/78/132356278.db2.gz GPJLJXSXQRWIEJ-UHFFFAOYSA-N 1 0 233.315 1.574 10 0 BDAERO C[NH2+]C1CCN(c2ncccc2C)CC1 ZINC000051040710 132359797 /nfs/dbraw/zinc/35/97/97/132359797.db2.gz MTHLLPOAAIYTMK-UHFFFAOYSA-N 1 0 205.305 1.578 10 0 BDAERO CC[C@H]1CCCN(c2ccc(C[NH3+])nn2)C1 ZINC000051396984 132360523 /nfs/dbraw/zinc/36/05/23/132360523.db2.gz YSTKXRHRJWFWDA-JTQLQIEISA-N 1 0 220.320 1.562 10 0 BDAERO C[NH2+]Cc1ccc(N2CCOC[C@H]2C)nc1 ZINC000051444111 132360937 /nfs/dbraw/zinc/36/09/37/132360937.db2.gz IDPAEBSQOICSOF-SNVBAGLBSA-N 1 0 221.304 1.026 10 0 BDAERO CC[C@H]1COCCN1c1cc(C[NH2+]C)ccn1 ZINC000051446871 132361308 /nfs/dbraw/zinc/36/13/08/132361308.db2.gz CSMQJSZOMLCHPW-LBPRGKRZSA-N 1 0 235.331 1.416 10 0 BDAERO C[NH2+]Cc1cccc(N2C[C@@H](C)OC(C)(C)C2)n1 ZINC000051488353 132361391 /nfs/dbraw/zinc/36/13/91/132361391.db2.gz FBRHQUOKJDBCGF-LLVKDONJSA-N 1 0 249.358 1.805 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](CN2CCCc3ccccc32)O1 ZINC000052421547 132362119 /nfs/dbraw/zinc/36/21/19/132362119.db2.gz RLJOSXVHSRFKCI-ZIAGYGMSSA-N 1 0 246.354 1.946 10 0 BDAERO CC[NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000052417266 132362141 /nfs/dbraw/zinc/36/21/41/132362141.db2.gz SSEUMDWTTJPHAI-CQSZACIVSA-N 1 0 247.386 1.807 10 0 BDAERO C[C@H]1CN(c2nncc3ccccc32)CC[NH2+]1 ZINC000052783475 132362401 /nfs/dbraw/zinc/36/24/01/132362401.db2.gz YUHBMKMFMJKUBT-JTQLQIEISA-N 1 0 228.299 1.428 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ccncn1 ZINC000053706840 132363336 /nfs/dbraw/zinc/36/33/36/132363336.db2.gz IXUUYULEYREVDC-JTQLQIEISA-N 1 0 206.293 1.055 10 0 BDAERO Cc1nc(N2CCCCC2)ncc1[C@H](C)[NH3+] ZINC000054962547 132365415 /nfs/dbraw/zinc/36/54/15/132365415.db2.gz RTGAVWFPAWVFBJ-VIFPVBQESA-N 1 0 220.320 1.795 10 0 BDAERO [NH3+]Cc1ccccc1N1CCn2ccnc2C1 ZINC000062245216 132387704 /nfs/dbraw/zinc/38/77/04/132387704.db2.gz RTCUTDSCPDDKKU-UHFFFAOYSA-N 1 0 228.299 1.362 10 0 BDAERO C[C@@H]1CCN(c2ncncc2Cl)[C@@H](C[NH3+])C1 ZINC000235391031 132395422 /nfs/dbraw/zinc/39/54/22/132395422.db2.gz BYNNRPRUKXGYSU-RKDXNWHRSA-N 1 0 240.738 1.694 10 0 BDAERO C[C@H]1CCN(c2ccc(F)cn2)[C@@H](C[NH3+])C1 ZINC000235687583 132407621 /nfs/dbraw/zinc/40/76/21/132407621.db2.gz DWSGXIOKSPQSEI-GXSJLCMTSA-N 1 0 223.295 1.784 10 0 BDAERO COc1cc(N2CCOCC2)[nH+]c2c1NCCC2 ZINC000095908433 132430673 /nfs/dbraw/zinc/43/06/73/132430673.db2.gz JUTLPGSCRZNKBZ-UHFFFAOYSA-N 1 0 249.314 1.285 10 0 BDAERO COC1CCN(c2ccccc2CC[NH3+])CC1 ZINC000104259975 132435817 /nfs/dbraw/zinc/43/58/17/132435817.db2.gz RHFRYZTZPIAMCI-UHFFFAOYSA-N 1 0 234.343 1.803 10 0 BDAERO Cc1cc(C)nc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000227202185 132440173 /nfs/dbraw/zinc/44/01/73/132440173.db2.gz PFTYMFCYEGKRDQ-BXKDBHETSA-N 1 0 234.347 1.657 10 0 BDAERO OCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 ZINC000216314156 133966918 /nfs/dbraw/zinc/96/69/18/133966918.db2.gz IKIIKLSFAQEQGL-XVIXHAIJSA-N 1 0 239.359 1.410 10 0 BDAERO C[C@H](CCC[NH3+])Nc1ncc(Cl)cn1 ZINC000168159817 134156342 /nfs/dbraw/zinc/15/63/42/134156342.db2.gz KZKGISHIKYODJZ-SSDOTTSWSA-N 1 0 214.700 1.669 10 0 BDAERO CC(C)(C)OCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171638579 134257653 /nfs/dbraw/zinc/25/76/53/134257653.db2.gz WFRGFVRCGMYOCB-GFCCVEGCSA-N 1 0 226.364 1.582 10 0 BDAERO COC(C)(C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171600690 134259353 /nfs/dbraw/zinc/25/93/53/134259353.db2.gz HBULORAAVVFVFH-UHFFFAOYSA-N 1 0 240.347 1.108 10 0 BDAERO CCc1nsc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000176924800 134294783 /nfs/dbraw/zinc/29/47/83/134294783.db2.gz CAMUDBRGUQSVIZ-SECBINFHSA-N 1 0 238.360 1.385 10 0 BDAERO c1cnn(CCN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177772469 134299935 /nfs/dbraw/zinc/29/99/35/134299935.db2.gz WRYWPZZRJPPTMG-CYBMUJFWSA-N 1 0 234.347 1.053 10 0 BDAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000178297666 134306226 /nfs/dbraw/zinc/30/62/26/134306226.db2.gz DYHYTVFSNWLSQG-KBPBESRZSA-N 1 0 249.358 1.835 10 0 BDAERO C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)C1CCCC1 ZINC000178549459 134307971 /nfs/dbraw/zinc/30/79/71/134307971.db2.gz CXUWRGZPQYFVNX-CABZTGNLSA-N 1 0 228.311 1.383 10 0 BDAERO O=C1NCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000221792111 134326348 /nfs/dbraw/zinc/32/63/48/134326348.db2.gz OHSRRHDFKNIYLK-LLVKDONJSA-N 1 0 240.253 1.333 10 0 BDAERO Cc1csc2c1ncnc2NCCC[NH3+] ZINC000222272696 134331013 /nfs/dbraw/zinc/33/10/13/134331013.db2.gz UFZVISLDOLXQSO-UHFFFAOYSA-N 1 0 222.317 1.760 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccnn1C ZINC000180844920 134331592 /nfs/dbraw/zinc/33/15/92/134331592.db2.gz HODJXZIVRDHDLC-GXTWGEPZSA-N 1 0 248.374 1.479 10 0 BDAERO CO[C@H](C)C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183807033 134356755 /nfs/dbraw/zinc/35/67/55/134356755.db2.gz AUJPVZGWEWWJON-CYBMUJFWSA-N 1 0 249.358 1.629 10 0 BDAERO OC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000226230005 134361466 /nfs/dbraw/zinc/36/14/66/134361466.db2.gz GVWBFJQPUNMUDD-HZSPNIEDSA-N 1 0 235.327 1.613 10 0 BDAERO C[C@@H]1C[N@@H+]([C@H]2CCCC[C@@H]2O)CCS1 ZINC000226253159 134362253 /nfs/dbraw/zinc/36/22/53/134362253.db2.gz USZRVZOCBVEYIC-VWYCJHECSA-N 1 0 215.362 1.727 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000226982197 134371147 /nfs/dbraw/zinc/37/11/47/134371147.db2.gz VIBREHWLTFHXBQ-YNEHKIRRSA-N 1 0 227.348 1.791 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C=C3CCC3)C[C@@H]12 ZINC000185095064 134373428 /nfs/dbraw/zinc/37/34/28/134373428.db2.gz SGCWHUIDBPEYMS-IJLUTSLNSA-N 1 0 220.316 1.292 10 0 BDAERO CC(C)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185304692 134379983 /nfs/dbraw/zinc/37/99/83/134379983.db2.gz SUXGMNQBQVQJNY-SRVKXCTJSA-N 1 0 224.348 1.441 10 0 BDAERO COCCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227528291 134382951 /nfs/dbraw/zinc/38/29/51/134382951.db2.gz LAHSRHDCRHEVJZ-STQMWFEESA-N 1 0 226.364 1.582 10 0 BDAERO Cc1nccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)n1 ZINC000227612427 134388357 /nfs/dbraw/zinc/38/83/57/134388357.db2.gz AKQQCNYZTXTSBU-DGCLKSJQSA-N 1 0 235.331 1.426 10 0 BDAERO C[C@H]([NH3+])CCNc1nc(C(F)(F)F)ns1 ZINC000228789288 134425377 /nfs/dbraw/zinc/42/53/77/134425377.db2.gz ZYLSXIZHDLAZQC-BYPYZUCNSA-N 1 0 240.254 1.706 10 0 BDAERO C[C@H](C[NH3+])CNc1nc(C(F)(F)F)ns1 ZINC000228811394 134427055 /nfs/dbraw/zinc/42/70/55/134427055.db2.gz AHNFCLFSRLMAAX-SCSAIBSYSA-N 1 0 240.254 1.564 10 0 BDAERO CCOC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)C(C)C ZINC000233792367 134568982 /nfs/dbraw/zinc/56/89/82/134568982.db2.gz KORMEKPQAWNUQK-AVGNSLFASA-N 1 0 229.364 1.941 10 0 BDAERO [NH3+]Cc1cc(C(=O)Nc2ccncc2)ccn1 ZINC000129943160 134614813 /nfs/dbraw/zinc/61/48/13/134614813.db2.gz OXYFRCSYRWXEMJ-UHFFFAOYSA-N 1 0 228.255 1.188 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCn2ncnc21)[C@H]1CCOC1 ZINC000408305323 134695319 /nfs/dbraw/zinc/69/53/19/134695319.db2.gz IZISSKDHPIPKSI-DCAQKATOSA-N 1 0 236.319 1.128 10 0 BDAERO C[C@H](CC[NH3+])Nc1ncc(Br)cn1 ZINC000134275499 134705887 /nfs/dbraw/zinc/70/58/87/134705887.db2.gz CKFMFMORFVCYGZ-ZCFIWIBFSA-N 1 0 245.124 1.388 10 0 BDAERO C[C@@H]([NH2+]CCn1cc(Cl)cn1)[C@H]1CCCO1 ZINC000053537915 134743308 /nfs/dbraw/zinc/74/33/08/134743308.db2.gz ICMHGIWPZKPIQP-MWLCHTKSSA-N 1 0 243.738 1.694 10 0 BDAERO [NH3+]C[C@H](C(=O)Nc1ccncc1)c1ccccc1 ZINC000061610933 134798792 /nfs/dbraw/zinc/79/87/92/134798792.db2.gz LWURFEPBMBBKTF-ZDUSSCGKSA-N 1 0 241.294 1.763 10 0 BDAERO Cc1nc(NCCC[NH3+])ccc1Br ZINC000235850699 134815881 /nfs/dbraw/zinc/81/58/81/134815881.db2.gz KORUBVWHZLNNFS-UHFFFAOYSA-N 1 0 244.136 1.913 10 0 BDAERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1C[C@@H]1C ZINC000076057635 134999887 /nfs/dbraw/zinc/99/98/87/134999887.db2.gz WPQTYEDOBCFWFV-AXFHLTTASA-N 1 0 227.352 1.424 10 0 BDAERO CC(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000249361588 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222.288 1.553 10 0 BDAERO CC[C@@H]1C[C@@]2(CO1)[NH2+]C(C)(C)CS2 ZINC000575509985 397970781 /nfs/dbraw/zinc/97/07/81/397970781.db2.gz SBDAZDWASHFZGT-PSASIEDQSA-N 1 0 201.335 1.997 10 0 BDAERO CCc1ccc([C@H](C)[NH2+]CC(=O)NC)cc1 ZINC000037207587 397981711 /nfs/dbraw/zinc/98/17/11/397981711.db2.gz QPHZXGFDAVIHMG-JTQLQIEISA-N 1 0 220.316 1.646 10 0 BDAERO CN1CC[NH2+][C@H](c2nccc3ccccc32)C1 ZINC000259683290 397987348 /nfs/dbraw/zinc/98/73/48/397987348.db2.gz ZDQWZUFVGDXFDV-ZDUSSCGKSA-N 1 0 227.311 1.811 10 0 BDAERO COC(=O)Cc1ccc(CC2CC[NH2+]CC2)cc1 ZINC000260477601 398093509 /nfs/dbraw/zinc/09/35/09/398093509.db2.gz PCXHWNPMJGBOCY-UHFFFAOYSA-N 1 0 247.338 1.944 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2snnc2C)C1 ZINC000384298074 398081558 /nfs/dbraw/zinc/08/15/58/398081558.db2.gz XYPJVURFSQJXDV-VIFPVBQESA-N 1 0 226.349 1.030 10 0 BDAERO c1cc2c(ncnc2NCCC2CC[NH2+]CC2)[nH]1 ZINC000650311292 398095435 /nfs/dbraw/zinc/09/54/35/398095435.db2.gz WHOSVJWCFLYACO-UHFFFAOYSA-N 1 0 245.330 1.711 10 0 BDAERO 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10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CSC1(C)C ZINC000669582412 487614549 /nfs/dbraw/zinc/61/45/49/487614549.db2.gz BGMJSZYMGCOAIM-VGMNWLOBSA-N 1 0 243.376 1.012 10 0 BDAERO COc1cccnc1N1CCC[C@@H](CC[NH3+])C1 ZINC000128387861 410268185 /nfs/dbraw/zinc/26/81/85/410268185.db2.gz PXWSBRFGUSTXEI-NSHDSACASA-N 1 0 235.331 1.655 10 0 BDAERO Brc1cncnc1C1CC[NH2+]CC1 ZINC000038580684 166105918 /nfs/dbraw/zinc/10/59/18/166105918.db2.gz WNGYEFUHBOYVSL-UHFFFAOYSA-N 1 0 242.120 1.706 10 0 BDAERO CC[C@H](C)[C@H](C[NH2+]CCn1cc(C)cn1)OC ZINC000394453493 410328892 /nfs/dbraw/zinc/32/88/92/410328892.db2.gz QEYUMTJIQQKUAI-STQMWFEESA-N 1 0 239.363 1.842 10 0 BDAERO CC(C)(C)C[NH2+]CC(=O)N1CCCCC1 ZINC000040493844 166588154 /nfs/dbraw/zinc/58/81/54/166588154.db2.gz ORJZRBPAUKETMP-UHFFFAOYSA-N 1 0 212.337 1.635 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC(C)(C)C[C@H](C)O ZINC000393597663 410752788 /nfs/dbraw/zinc/75/27/88/410752788.db2.gz JTGDCYYVDNQPHP-WDEREUQCSA-N 1 0 244.379 1.273 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCSC1 ZINC000393728940 410755454 /nfs/dbraw/zinc/75/54/54/410755454.db2.gz DJHKDMBTAXDFNQ-UTUOFQBUSA-N 1 0 229.389 1.975 10 0 BDAERO COCC1(CNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000655490201 410803072 /nfs/dbraw/zinc/80/30/72/410803072.db2.gz ICKLPKYALBKNLX-GFCCVEGCSA-N 1 0 240.347 1.061 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395246445 410844074 /nfs/dbraw/zinc/84/40/74/410844074.db2.gz MGMTWPZTXUWVIK-UMNHJUIQSA-N 1 0 224.348 1.631 10 0 BDAERO CN1CCC[C@H]1C[NH2+]C(C)(C)C(C)(C)O ZINC000395322480 410846256 /nfs/dbraw/zinc/84/62/56/410846256.db2.gz NDBLIOPAJGFNAA-JTQLQIEISA-N 1 0 214.353 1.220 10 0 BDAERO C[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)C1CC1 ZINC000163695042 487619060 /nfs/dbraw/zinc/61/90/60/487619060.db2.gz ZCXJPNBRHMAMII-GWCFXTLKSA-N 1 0 224.348 1.681 10 0 BDAERO [NH3+]CC1(CCNc2ncnc3ccccc32)CC1 ZINC000395879776 410866422 /nfs/dbraw/zinc/86/64/22/410866422.db2.gz NMCNQXCEGDGQOB-UHFFFAOYSA-N 1 0 242.326 1.593 10 0 BDAERO CC(C)C[NH2+]CC(C)(C)CN1CCO[C@H](C)C1 ZINC000051210570 167002758 /nfs/dbraw/zinc/00/27/58/167002758.db2.gz GJJBJJXQBRFLAA-CYBMUJFWSA-N 1 0 242.407 1.979 10 0 BDAERO CC(C)C[NH2+]Cc1nnnn1C1CCCCC1 ZINC000054745799 167010313 /nfs/dbraw/zinc/01/03/13/167010313.db2.gz NWQKRNDOQSAKNV-UHFFFAOYSA-N 1 0 237.351 1.924 10 0 BDAERO CC(C)N1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860296 167036060 /nfs/dbraw/zinc/03/60/60/167036060.db2.gz XBCGRLQOHFIJFO-CYBMUJFWSA-N 1 0 204.317 1.780 10 0 BDAERO CC(C)NC(=O)COc1cccc([C@H](C)[NH3+])c1 ZINC000022165544 167063553 /nfs/dbraw/zinc/06/35/53/167063553.db2.gz GQNRJXQDUVLWRF-JTQLQIEISA-N 1 0 236.315 1.610 10 0 BDAERO CC(C)NC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749770 167071123 /nfs/dbraw/zinc/07/11/23/167071123.db2.gz SYDBENOQSYNLKV-PBINXNQUSA-N 1 0 211.309 1.059 10 0 BDAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C ZINC000049205405 167078645 /nfs/dbraw/zinc/07/86/45/167078645.db2.gz LWIMDKGNJWEWTH-NEPJUHHUSA-N 1 0 243.395 1.075 10 0 BDAERO CC(C)[NH2+]CC(=O)N(C)c1ccccn1 ZINC000037477093 167095410 /nfs/dbraw/zinc/09/54/10/167095410.db2.gz HPEYPZPOBZKEER-UHFFFAOYSA-N 1 0 207.277 1.042 10 0 BDAERO CC(C)[NH2+]C1(CN)Cc2ccccc2C1 ZINC000050271000 167095951 /nfs/dbraw/zinc/09/59/51/167095951.db2.gz AFMIURPFNJMPLH-UHFFFAOYSA-N 1 0 204.317 1.481 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)Cc1ccc(F)c(F)c1 ZINC000071533951 167111974 /nfs/dbraw/zinc/11/19/74/167111974.db2.gz GKRLJOSYBRHLGH-JTQLQIEISA-N 1 0 229.270 1.866 10 0 BDAERO CC(C)[NH2+]C[C@@]1(C[C@H]2CCCO2)CCOC1 ZINC000054665109 167113981 /nfs/dbraw/zinc/11/39/81/167113981.db2.gz QGJCNAJLJSAEHW-OLZOCXBDSA-N 1 0 227.348 1.960 10 0 BDAERO CC(C)[NH2+]C[C@H](O)COc1ccc2[nH]cnc2c1 ZINC000116456362 167115460 /nfs/dbraw/zinc/11/54/60/167115460.db2.gz OGDPAKNSPMBCOT-JTQLQIEISA-N 1 0 249.314 1.301 10 0 BDAERO CC(C)[NH2+]Cc1cccc(-n2cncn2)n1 ZINC000051489442 167119840 /nfs/dbraw/zinc/11/98/40/167119840.db2.gz AJVTZNKYXMMDJD-UHFFFAOYSA-N 1 0 217.276 1.160 10 0 BDAERO CC(C)[NH2+]Cc1nnnn1[C@@H](C)c1ccccc1 ZINC000054745645 167122929 /nfs/dbraw/zinc/12/29/29/167122929.db2.gz LFHJLFAJOSUPAR-NSHDSACASA-N 1 0 245.330 1.780 10 0 BDAERO CC(C)[NH2+][C@@H]1CCc2nc(N)sc2C1 ZINC000034120932 167135442 /nfs/dbraw/zinc/13/54/42/167135442.db2.gz UZMLPKOLEWAJLZ-SSDOTTSWSA-N 1 0 211.334 1.581 10 0 BDAERO CC(C)OCCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000336651256 167216595 /nfs/dbraw/zinc/21/65/95/167216595.db2.gz UWMKCWJNTCJESA-LBPRGKRZSA-N 1 0 215.337 1.506 10 0 BDAERO CC(C)OCCN1C[C@@H](C)[NH2+]C[C@H]1C(C)C ZINC000062613991 167235564 /nfs/dbraw/zinc/23/55/64/167235564.db2.gz QQWDHAKEDPRUBE-OLZOCXBDSA-N 1 0 228.380 1.730 10 0 BDAERO CC(C)OCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000161299460 167237799 /nfs/dbraw/zinc/23/77/99/167237799.db2.gz PBLZQRHLBJQNCU-NEPJUHHUSA-N 1 0 242.363 1.435 10 0 BDAERO CCN(CC)C[C@@H](C)[NH2+]CCc1cccnc1 ZINC000063222438 169784948 /nfs/dbraw/zinc/78/49/48/169784948.db2.gz CRBCLOPQNVBBLO-CYBMUJFWSA-N 1 0 235.375 1.944 10 0 BDAERO CC(C)OCCOCc1ccc(C(N)=[NH2+])cc1 ZINC000019423324 167248648 /nfs/dbraw/zinc/24/86/48/167248648.db2.gz CVPPWIOHQQCTOJ-UHFFFAOYSA-N 1 0 236.315 1.912 10 0 BDAERO CC(C)Oc1ccc([C@H](O)[C@H](C)[NH3+])cc1 ZINC000037742831 167301039 /nfs/dbraw/zinc/30/10/39/167301039.db2.gz YFJVPIPJCYJQIN-JOYOIKCWSA-N 1 0 209.289 1.854 10 0 BDAERO CC(C)Oc1ncc(C[NH3+])cc1OC1CC1 ZINC000095737789 167314593 /nfs/dbraw/zinc/31/45/93/167314593.db2.gz WZCQQPRZCUJXPZ-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NC[C@H](C)C[NH3+] ZINC000236658106 167358030 /nfs/dbraw/zinc/35/80/30/167358030.db2.gz SSMCQJHCOAFOIS-ZJUUUORDSA-N 1 0 200.326 1.380 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037504715 167364802 /nfs/dbraw/zinc/36/48/02/167364802.db2.gz VQANAWLMRDRRHV-MNOVXSKESA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000285464943 167384698 /nfs/dbraw/zinc/38/46/98/167384698.db2.gz ALQFXQRWSFKZSJ-BDAKNGLRSA-N 1 0 209.293 1.465 10 0 BDAERO CC(C)[C@@H](CN(C)C)[NH2+]CC(=O)N(C)C(C)C ZINC000049216299 167395994 /nfs/dbraw/zinc/39/59/94/167395994.db2.gz REYNKVVHIGBNKK-GFCCVEGCSA-N 1 0 243.395 1.029 10 0 BDAERO CC(C)[C@@H](C[NH3+])CC(=O)NCc1ccco1 ZINC000076611747 167396629 /nfs/dbraw/zinc/39/66/29/167396629.db2.gz OUXNZTXKQFNZGZ-SNVBAGLBSA-N 1 0 224.304 1.517 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000397819974 410935785 /nfs/dbraw/zinc/93/57/85/410935785.db2.gz MVMXCIGAOAIZLX-GJWIWDBRSA-N 1 0 222.332 1.419 10 0 BDAERO COc1ccc(CNC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000398421131 410964803 /nfs/dbraw/zinc/96/48/03/410964803.db2.gz YKERVUFSUHRDLH-JTQLQIEISA-N 1 0 238.306 1.533 10 0 BDAERO Cc1cnc([C@H](C)[NH2+]CCCc2cncn2C)o1 ZINC000314761817 411053544 /nfs/dbraw/zinc/05/35/44/411053544.db2.gz SCVCQPXYMMWMJP-NSHDSACASA-N 1 0 248.330 2.000 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1ccccn1 ZINC000655500227 411057065 /nfs/dbraw/zinc/05/70/65/411057065.db2.gz WKFRTCBLOMEYCY-CMPLNLGQSA-N 1 0 235.331 1.256 10 0 BDAERO O[C@H](C[NH2+]C[C@H]1CCC[C@H]1O)CC1CCCC1 ZINC000300033475 411075533 /nfs/dbraw/zinc/07/55/33/411075533.db2.gz VLBZAQZHFDUXBN-HZSPNIEDSA-N 1 0 241.375 1.678 10 0 BDAERO CC(C)c1ccccc1OC[C@@](C)(O)C[NH3+] ZINC000019667981 167643104 /nfs/dbraw/zinc/64/31/04/167643104.db2.gz CANOMSFZOZICAZ-ZDUSSCGKSA-N 1 0 223.316 1.899 10 0 BDAERO CN(C)c1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000053253611 411157572 /nfs/dbraw/zinc/15/75/72/411157572.db2.gz QEFCPZQYJWLTOU-GFCCVEGCSA-N 1 0 247.342 1.234 10 0 BDAERO CC1CC(C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000309515163 411157787 /nfs/dbraw/zinc/15/77/87/411157787.db2.gz RCYVZVBRHRWMOQ-YIYTYNFBSA-N 1 0 210.321 1.289 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657911801 411164526 /nfs/dbraw/zinc/16/45/26/411164526.db2.gz OGPNYQZRUFNCIJ-VXGBXAGGSA-N 1 0 244.404 1.192 10 0 BDAERO COc1ccc2c(c1)CN(C(=O)[C@@H]1CC[NH2+]C1)C2 ZINC000655502295 411112010 /nfs/dbraw/zinc/11/20/10/411112010.db2.gz HMYKCWHLEKCGIS-SNVBAGLBSA-N 1 0 246.310 1.147 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCNC(=O)C2)o1 ZINC000111826011 411181405 /nfs/dbraw/zinc/18/14/05/411181405.db2.gz NRWGYPYWFOELRD-WDEREUQCSA-N 1 0 236.315 1.907 10 0 BDAERO C[C@@H](CCCCO)[NH2+][C@@H]1CCO[C@@H]1C ZINC000393242830 411194412 /nfs/dbraw/zinc/19/44/12/411194412.db2.gz NXCSSMXOAKDBFK-HBNTYKKESA-N 1 0 201.310 1.305 10 0 BDAERO Cc1cccc(CC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000061883826 411194565 /nfs/dbraw/zinc/19/45/65/411194565.db2.gz JNWMIXQDMXYGCP-ZIAGYGMSSA-N 1 0 246.354 1.781 10 0 BDAERO CCCCOCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000128984682 411195162 /nfs/dbraw/zinc/19/51/62/411195162.db2.gz BZNHHLASFJDEAE-LLVKDONJSA-N 1 0 230.352 1.293 10 0 BDAERO CC(C)OCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000128990357 411196001 /nfs/dbraw/zinc/19/60/01/411196001.db2.gz IXEXWUWULFXRSI-NSHDSACASA-N 1 0 230.352 1.291 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336268222 167771714 /nfs/dbraw/zinc/77/17/14/167771714.db2.gz PNLMLLRGHTUORO-STQMWFEESA-N 1 0 248.374 1.648 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCNC1=O)c1ccsc1 ZINC000658052230 411220191 /nfs/dbraw/zinc/22/01/91/411220191.db2.gz IKIBBSDPGAPJCR-VHSXEESVSA-N 1 0 224.329 1.677 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCS1 ZINC000129142553 411232456 /nfs/dbraw/zinc/23/24/56/411232456.db2.gz LWYZUXCGRQKFQN-VHSXEESVSA-N 1 0 230.377 1.372 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@]1(C)CCCO1 ZINC000129137481 411232959 /nfs/dbraw/zinc/23/29/59/411232959.db2.gz RJKAPCSSVOMUQM-JQWIXIFHSA-N 1 0 228.336 1.045 10 0 BDAERO CCN(CC)c1nc2ccccn2c1CC[NH3+] ZINC000104263502 169805547 /nfs/dbraw/zinc/80/55/47/169805547.db2.gz PWHXKHOSFCYRGO-UHFFFAOYSA-N 1 0 232.331 1.682 10 0 BDAERO CC(C)[C@@H](C)NC(=O)c1ccccc1CC[NH3+] ZINC000070541613 411240361 /nfs/dbraw/zinc/24/03/61/411240361.db2.gz URXHSYUZPSMSKD-LLVKDONJSA-N 1 0 234.343 1.962 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccc(N)nc2)C1 ZINC000616660720 411241285 /nfs/dbraw/zinc/24/12/85/411241285.db2.gz PNCOCPVUDOKCBL-GFCCVEGCSA-N 1 0 249.358 1.878 10 0 BDAERO CO[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000309792673 411248033 /nfs/dbraw/zinc/24/80/33/411248033.db2.gz USWIVLMSDKQTOH-RWMBFGLXSA-N 1 0 227.348 1.648 10 0 BDAERO Cc1cnc(C)c(NCC[NH2+]C2CC2)n1 ZINC000054267784 411263697 /nfs/dbraw/zinc/26/36/97/411263697.db2.gz RQKOSVROCCGKNV-UHFFFAOYSA-N 1 0 206.293 1.257 10 0 BDAERO CO[C@@H]1C[NH2+][C@@](C)(CNCc2ccccc2)C1 ZINC000536958771 411265821 /nfs/dbraw/zinc/26/58/21/411265821.db2.gz IAGHOEJFPKEIBJ-UONOGXRCSA-N 1 0 234.343 1.543 10 0 BDAERO Fc1cccc2nc(N3CCC[NH2+]CC3)oc21 ZINC000062532206 411268013 /nfs/dbraw/zinc/26/80/13/411268013.db2.gz PRXAIUYWPHUIOC-UHFFFAOYSA-N 1 0 235.262 1.767 10 0 BDAERO CC/C=C/CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309836280 167846635 /nfs/dbraw/zinc/84/66/35/167846635.db2.gz BGOHNBWBGDIHEF-QRGHLMKCSA-N 1 0 224.348 1.990 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc2ccccc2[nH]1 ZINC000310805456 411284600 /nfs/dbraw/zinc/28/46/00/411284600.db2.gz UPKDDAAMZCLULC-KOLCDFICSA-N 1 0 243.310 1.730 10 0 BDAERO CC1(C(=O)NC(C2CC2)C2CC2)CC[NH2+]CC1 ZINC000062841116 167867258 /nfs/dbraw/zinc/86/72/58/167867258.db2.gz OMBQJQKNNLJMNI-UHFFFAOYSA-N 1 0 236.359 1.681 10 0 BDAERO OCCN1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000656497164 411287833 /nfs/dbraw/zinc/28/78/33/411287833.db2.gz PARLJOOTVHXLBT-UHFFFAOYSA-N 1 0 238.375 1.365 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000655526972 411307364 /nfs/dbraw/zinc/30/73/64/411307364.db2.gz YCDRKXUTMBEHHS-DTWKUNHWSA-N 1 0 248.317 1.925 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)[C@H]1C ZINC000658239246 411308071 /nfs/dbraw/zinc/30/80/71/411308071.db2.gz LMAHWQWRDWULMX-VOAKCMCISA-N 1 0 238.375 1.879 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)[C@@H]1C ZINC000658239244 411308138 /nfs/dbraw/zinc/30/81/38/411308138.db2.gz LMAHWQWRDWULMX-LPWJVIDDSA-N 1 0 238.375 1.879 10 0 BDAERO Cc1noc2ncnc(NCC3([NH3+])CCCC3)c12 ZINC000656610351 411308577 /nfs/dbraw/zinc/30/85/77/411308577.db2.gz AGQDHDHNLLDHBA-UHFFFAOYSA-N 1 0 247.302 1.610 10 0 BDAERO Cn1ncc2c1ncnc2NCC1([NH3+])CCCC1 ZINC000656610217 411308804 /nfs/dbraw/zinc/30/88/04/411308804.db2.gz VVYVZLCVRYSACP-UHFFFAOYSA-N 1 0 246.318 1.047 10 0 BDAERO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)C1 ZINC000658240200 411308896 /nfs/dbraw/zinc/30/88/96/411308896.db2.gz HNEBIUQVVQUZEB-MROQNXINSA-N 1 0 238.375 1.879 10 0 BDAERO CCOc1nccnc1NCC1([NH3+])CCCC1 ZINC000656610435 411308991 /nfs/dbraw/zinc/30/89/91/411308991.db2.gz GEGRRUURONMFST-UHFFFAOYSA-N 1 0 236.319 1.559 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)[C@H](C)C1 ZINC000658239902 411309030 /nfs/dbraw/zinc/30/90/30/411309030.db2.gz OAWKWPSIXRRIMM-LPWJVIDDSA-N 1 0 238.375 1.879 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@@H]1C[C@@H]1C ZINC000658242881 411309081 /nfs/dbraw/zinc/30/90/81/411309081.db2.gz VPOQLJJJCIDRJA-YFKTTZPYSA-N 1 0 224.348 1.489 10 0 BDAERO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)C1 ZINC000658240206 411309261 /nfs/dbraw/zinc/30/92/61/411309261.db2.gz HNEBIUQVVQUZEB-XQHKEYJVSA-N 1 0 238.375 1.879 10 0 BDAERO Cc1cnc(C)c(N2CC3CC2(C[NH3+])C3)n1 ZINC000656612151 411309763 /nfs/dbraw/zinc/30/97/63/411309763.db2.gz VQEYXIVQDULILS-UHFFFAOYSA-N 1 0 218.304 1.021 10 0 BDAERO CN1C[C@@H](C[NH2+][C@H]2CCCSCC2)CC1=O ZINC000658243277 411310067 /nfs/dbraw/zinc/31/00/67/411310067.db2.gz ZLVPCHZYLDVIRA-MNOVXSKESA-N 1 0 242.388 1.340 10 0 BDAERO CN1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1=O ZINC000658243305 411310511 /nfs/dbraw/zinc/31/05/11/411310511.db2.gz ZXQIGJOYNPIJTF-NNYUYHANSA-N 1 0 222.332 1.243 10 0 BDAERO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658244168 411310727 /nfs/dbraw/zinc/31/07/27/411310727.db2.gz SESFGCLLEJGOFT-JQWIXIFHSA-N 1 0 224.348 1.633 10 0 BDAERO CCCC[C@H](CC)Cn1cc(C[NH3+])nn1 ZINC000050224292 411254914 /nfs/dbraw/zinc/25/49/14/411254914.db2.gz DWJHKEQPJSGTJJ-JTQLQIEISA-N 1 0 210.325 1.953 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)C1(C)C ZINC000658355840 411352106 /nfs/dbraw/zinc/35/21/06/411352106.db2.gz 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170073050 /nfs/dbraw/zinc/07/30/50/170073050.db2.gz KCUCJNGODSGNLU-WDEREUQCSA-N 1 0 225.336 1.180 10 0 BDAERO CCNC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107823219 170073435 /nfs/dbraw/zinc/07/34/35/170073435.db2.gz PZDKKTOEZALAEI-GFCCVEGCSA-N 1 0 239.363 1.666 10 0 BDAERO CCNC(=O)NC1CCC([NH2+]CC)CC1 ZINC000036880941 170078671 /nfs/dbraw/zinc/07/86/71/170078671.db2.gz KWDZXUYGAAJTOC-UHFFFAOYSA-N 1 0 213.325 1.226 10 0 BDAERO CCNC(=O)Nc1cc(C[NH3+])ccc1C ZINC000050430793 170084711 /nfs/dbraw/zinc/08/47/11/170084711.db2.gz VSTGRNBMQLAIHM-UHFFFAOYSA-N 1 0 207.277 1.595 10 0 BDAERO CCNC(=O)[C@@H](C)N1Cc2ccccc2C1=[NH2+] ZINC000049217075 170086067 /nfs/dbraw/zinc/08/60/67/170086067.db2.gz FRKRIRCFKGOMIQ-SECBINFHSA-N 1 0 231.299 1.352 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1ccc(F)cc1 ZINC000076620475 170089741 /nfs/dbraw/zinc/08/97/41/170089741.db2.gz OHGNGNKMZRCGNP-LBPRGKRZSA-N 1 0 238.306 1.784 10 0 BDAERO CCNC(=O)[C@H](C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020419260 170097067 /nfs/dbraw/zinc/09/70/67/170097067.db2.gz CMWSJXUVKDPVLO-UWVGGRQHSA-N 1 0 236.315 1.610 10 0 BDAERO CCNC(=O)[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000083347178 170097896 /nfs/dbraw/zinc/09/78/96/170097896.db2.gz LHYHEGAXIGVAPD-SECBINFHSA-N 1 0 212.680 1.476 10 0 BDAERO CCNC(=O)[C@H](CC[NH3+])c1ccc(CC)cc1 ZINC000076616310 170097253 /nfs/dbraw/zinc/09/72/53/170097253.db2.gz NOYHQYFUCOBQPY-CYBMUJFWSA-N 1 0 234.343 1.818 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCO[C@@H](CC)C1 ZINC000061289371 170106721 /nfs/dbraw/zinc/10/67/21/170106721.db2.gz RMKMWYNXKMLQAG-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(O)cc1 ZINC000061292502 170107071 /nfs/dbraw/zinc/10/70/71/170107071.db2.gz LXJRYLZJMGIPKW-UHFFFAOYSA-N 1 0 222.288 1.719 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCCO[C@H](C)C1 ZINC000061934313 170107189 /nfs/dbraw/zinc/10/71/89/170107189.db2.gz MWMVHEZJVDIHMV-LLVKDONJSA-N 1 0 214.353 1.485 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C)on1 ZINC000061278599 170107309 /nfs/dbraw/zinc/10/73/09/170107309.db2.gz MSNDANIAJPIOKB-UHFFFAOYSA-N 1 0 211.265 1.310 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1nc(C)cs1 ZINC000061287954 170107830 /nfs/dbraw/zinc/10/78/30/170107830.db2.gz LBEMEWMPHQEHOD-UHFFFAOYSA-N 1 0 227.333 1.778 10 0 BDAERO CCNC1(c2nc(C)c(C)s2)CC[NH2+]CC1 ZINC000041061137 170108117 /nfs/dbraw/zinc/10/81/17/170108117.db2.gz MRPDSQUGFLBCDS-UHFFFAOYSA-N 1 0 239.388 1.948 10 0 BDAERO CC[NH2+]CC(=O)c1ccc(OC)cc1OC ZINC000049819234 170110971 /nfs/dbraw/zinc/11/09/71/170110971.db2.gz OVZLMJCLWAAJGM-UHFFFAOYSA-N 1 0 223.272 1.496 10 0 BDAERO CC[NH2+]CC1(CN2CCOC[C@H]2C)CCCC1 ZINC000051216732 170111106 /nfs/dbraw/zinc/11/11/06/170111106.db2.gz HPHBISDRNBFXRG-CYBMUJFWSA-N 1 0 240.391 1.877 10 0 BDAERO CC[NH2+]CCN(C)CCOc1ccccc1 ZINC000045147295 170113287 /nfs/dbraw/zinc/11/32/87/170113287.db2.gz YMFDLNORDWGQQD-UHFFFAOYSA-N 1 0 222.332 1.607 10 0 BDAERO CC[NH2+]CCN(C)c1nc2ccccc2nc1C ZINC000053705045 170113880 /nfs/dbraw/zinc/11/38/80/170113880.db2.gz YYSXHAPLZCBPNU-UHFFFAOYSA-N 1 0 244.342 1.984 10 0 BDAERO CC[NH2+]CCc1cc(NC(C)=O)ccc1OC ZINC000107290596 170117295 /nfs/dbraw/zinc/11/72/95/170117295.db2.gz DHFIQRFFRMEFPF-UHFFFAOYSA-N 1 0 236.315 1.806 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](C)C1 ZINC000061227101 170117962 /nfs/dbraw/zinc/11/79/62/170117962.db2.gz YEOICWPNCGUHBN-WDEREUQCSA-N 1 0 212.337 1.491 10 0 BDAERO CC[NH2+]CCn1c(C)nc2ccccc21 ZINC000020186709 170118084 /nfs/dbraw/zinc/11/80/84/170118084.db2.gz ZSKZFJLCWMHJOH-UHFFFAOYSA-N 1 0 203.289 1.954 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCSCC1 ZINC000061267641 170118266 /nfs/dbraw/zinc/11/82/66/170118266.db2.gz LHSXMTLUQRIDHW-SNVBAGLBSA-N 1 0 230.377 1.198 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cccc(OCC)c1 ZINC000033468605 170118843 /nfs/dbraw/zinc/11/88/43/170118843.db2.gz XDABRVIRWLZBHM-LLVKDONJSA-N 1 0 239.315 1.435 10 0 BDAERO CC[NH2+]C[C@@H](O)Cc1cc(C)cc(C)c1 ZINC000071510628 170119315 /nfs/dbraw/zinc/11/93/15/170119315.db2.gz BSVLZLANWLRXBQ-ZDUSSCGKSA-N 1 0 207.317 1.816 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1cccnc1OC ZINC000061232777 170119327 /nfs/dbraw/zinc/11/93/27/170119327.db2.gz KUBYHHFEVIJYPV-SECBINFHSA-N 1 0 237.303 1.274 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000032012218 170119409 /nfs/dbraw/zinc/11/94/09/170119409.db2.gz ZDZSYKZHFHSLKX-LLVKDONJSA-N 1 0 209.289 1.344 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2ncccn2)C1 ZINC000053695900 170119744 /nfs/dbraw/zinc/11/97/44/170119744.db2.gz ZTDGQQOKKYVLRA-NSHDSACASA-N 1 0 220.320 1.303 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1CCn1cccn1 ZINC000053650951 170120008 /nfs/dbraw/zinc/12/00/08/170120008.db2.gz LYUXVFMFZBGQQE-ZDUSSCGKSA-N 1 0 236.363 1.347 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1ccncn1 ZINC000053697024 170120207 /nfs/dbraw/zinc/12/02/07/170120207.db2.gz OHJFNDCRCLJVLJ-JTQLQIEISA-N 1 0 206.293 1.055 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(CC)Cc1ccco1 ZINC000061236601 170121258 /nfs/dbraw/zinc/12/12/58/170121258.db2.gz RCDJMJADPQDXFI-NSHDSACASA-N 1 0 238.331 1.874 10 0 BDAERO CC[NH2+]C[C@@](O)(CC)c1ccccc1OC ZINC000032014671 170121372 /nfs/dbraw/zinc/12/13/72/170121372.db2.gz VXGDEICXEYXIKR-ZDUSSCGKSA-N 1 0 223.316 1.902 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000061227010 170121678 /nfs/dbraw/zinc/12/16/78/170121678.db2.gz QURRWZYXPKJUAX-WDEREUQCSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)Nc1nc(C)cc(C)n1 ZINC000061228549 170122021 /nfs/dbraw/zinc/12/20/21/170122021.db2.gz SEYCCELBRGTRMM-QMMMGPOBSA-N 1 0 236.319 1.278 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccc(OCC)cc1 ZINC000033468609 170122256 /nfs/dbraw/zinc/12/22/56/170122256.db2.gz ARRIKCYUIQGYKA-NSHDSACASA-N 1 0 239.315 1.435 10 0 BDAERO CC[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000047943490 170122632 /nfs/dbraw/zinc/12/26/32/170122632.db2.gz YRCIHTXGBIQXKH-CQSZACIVSA-N 1 0 234.343 1.669 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2cccnn2)C1 ZINC000053696245 170122676 /nfs/dbraw/zinc/12/26/76/170122676.db2.gz NNCDPAPYSHAGNO-LLVKDONJSA-N 1 0 220.320 1.303 10 0 BDAERO CC[NH2+]C[C@H]1CC[C@@H](Cn2nc(C)cc2C)O1 ZINC000052575915 170123457 /nfs/dbraw/zinc/12/34/57/170123457.db2.gz VXYYRQOOWABBQQ-OLZOCXBDSA-N 1 0 237.347 1.657 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1ccc(OC)cc1 ZINC000032012225 170123871 /nfs/dbraw/zinc/12/38/71/170123871.db2.gz UIAOYYJZQSKBOI-LBPRGKRZSA-N 1 0 209.289 1.512 10 0 BDAERO CC[NH2+]Cc1c(Cl)nc(N)nc1Cl ZINC000083350900 170124620 /nfs/dbraw/zinc/12/46/20/170124620.db2.gz VZLVLBJXBCSECO-UHFFFAOYSA-N 1 0 221.091 1.475 10 0 BDAERO CC[NH2+]Cc1ccc(CN2CCOCC2)o1 ZINC000045205596 170126121 /nfs/dbraw/zinc/12/61/21/170126121.db2.gz MMNRTWREOIRMSY-UHFFFAOYSA-N 1 0 224.304 1.221 10 0 BDAERO CC[NH2+]Cc1ccc(-n2ccc(C)n2)nc1 ZINC000052885163 170126133 /nfs/dbraw/zinc/12/61/33/170126133.db2.gz RCEBVCNHOGKWJO-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1ccc(-n2cc(C)cn2)nn1 ZINC000051492292 170126664 /nfs/dbraw/zinc/12/66/64/170126664.db2.gz HOULTAGZLNVKAO-UHFFFAOYSA-N 1 0 217.276 1.080 10 0 BDAERO CC[NH2+]Cc1cccc(N(C)C2CCOCC2)n1 ZINC000051446660 170127912 /nfs/dbraw/zinc/12/79/12/170127912.db2.gz CJUFQOIHBMIXAY-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO CC[NH2+]Cc1cccc(OC[C@@H](C)C(N)=O)c1 ZINC000037226853 170128594 /nfs/dbraw/zinc/12/85/94/170128594.db2.gz YMZGQLHTYIMHQF-SNVBAGLBSA-N 1 0 236.315 1.296 10 0 BDAERO CC[NH2+]Cc1cccnc1-n1nc(C)cc1C ZINC000051490522 170129727 /nfs/dbraw/zinc/12/97/27/170129727.db2.gz JUXKHXRJVCTSSY-UHFFFAOYSA-N 1 0 230.315 1.994 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1cccc(Cl)c1 ZINC000054744295 170131595 /nfs/dbraw/zinc/13/15/95/170131595.db2.gz WXNGFFPYJNJJPJ-UHFFFAOYSA-N 1 0 237.694 1.425 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H]1CCCC[C@@H]1C ZINC000054745931 170131617 /nfs/dbraw/zinc/13/16/17/170131617.db2.gz JQKQMPFDUABGSH-UWVGGRQHSA-N 1 0 223.324 1.534 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1ccc(C)cc1C ZINC000037869602 170137797 /nfs/dbraw/zinc/13/77/97/170137797.db2.gz ICWNDUMSLUTFAB-LLVKDONJSA-N 1 0 206.289 1.439 10 0 BDAERO CC[NH2+][C@@H](C)C(=O)c1ccc2c(c1)CCN2 ZINC000041619460 170139469 /nfs/dbraw/zinc/13/94/69/170139469.db2.gz PMNMEAOGJLFMNQ-VIFPVBQESA-N 1 0 218.300 1.835 10 0 BDAERO CC[NH2+][C@@H](C)Cc1nc(Cc2cccnc2)no1 ZINC000061213124 170139988 /nfs/dbraw/zinc/13/99/88/170139988.db2.gz HVJAEYBQFMQTQH-JTQLQIEISA-N 1 0 246.314 1.596 10 0 BDAERO CC[NH2+][C@@H](C)[C@H]1COc2ccccc2O1 ZINC000031623247 170141362 /nfs/dbraw/zinc/14/13/62/170141362.db2.gz MPOPVYQHZMQKRJ-JOYOIKCWSA-N 1 0 207.273 1.824 10 0 BDAERO CC[NH2+][C@@H](C)c1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000034819243 170142280 /nfs/dbraw/zinc/14/22/80/170142280.db2.gz HZVPPWVUOHKQLI-UWVGGRQHSA-N 1 0 236.315 1.610 10 0 BDAERO CCN[C@@H](CC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000062440401 170144697 /nfs/dbraw/zinc/14/46/97/170144697.db2.gz CNBZEUCDDJMOOB-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CC[NH2+][C@@H](CCN1CC[C@H](O)C1)c1ccccc1 ZINC000061711962 170144855 /nfs/dbraw/zinc/14/48/55/170144855.db2.gz NILSMORDHVDOKE-GJZGRUSLSA-N 1 0 248.370 1.794 10 0 BDAERO CC[NH2+][C@@H](CN1CCN(C)C1=O)c1ccccc1 ZINC000052885612 170145240 /nfs/dbraw/zinc/14/52/40/170145240.db2.gz IDINUULXORCPNE-ZDUSSCGKSA-N 1 0 247.342 1.705 10 0 BDAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccncc1 ZINC000035555695 170149875 /nfs/dbraw/zinc/14/98/75/170149875.db2.gz GWSASQRBWBXJFG-LBPRGKRZSA-N 1 0 216.288 1.514 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2nccs2)C[C@@H]1C ZINC000049714061 170151667 /nfs/dbraw/zinc/15/16/67/170151667.db2.gz ANRFYMFSKLECEB-WDEREUQCSA-N 1 0 239.388 1.963 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@H]1n1cnc(C)c1C ZINC000051926705 170153103 /nfs/dbraw/zinc/15/31/03/170153103.db2.gz YCQNITPYFOKHGG-VXGBXAGGSA-N 1 0 223.320 1.439 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cc(C)ccc2F)C1=O ZINC000049647965 170153276 /nfs/dbraw/zinc/15/32/76/170153276.db2.gz GFHISUBNKLLZCJ-LLVKDONJSA-N 1 0 236.290 1.849 10 0 BDAERO CC[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000095091523 170154156 /nfs/dbraw/zinc/15/41/56/170154156.db2.gz FIMFRDJROGUFBE-HUUCEWRRSA-N 1 0 248.370 1.479 10 0 BDAERO CC[NH2+][C@@](C)(CC[N@@H+]1CCCC1(C)C)C(=O)[O-] ZINC000063072808 170155386 /nfs/dbraw/zinc/15/53/86/170155386.db2.gz TUKQSVPWGPLFLG-ZDUSSCGKSA-N 1 0 242.363 1.704 10 0 BDAERO CC[NH2+][C@@]1(C(N)=O)CCSc2ccccc21 ZINC000037869522 170156171 /nfs/dbraw/zinc/15/61/71/170156171.db2.gz VBPALDMRKWRFDF-LBPRGKRZSA-N 1 0 236.340 1.473 10 0 BDAERO CC[NH2+][C@H](C)C1CCN(c2nccn2C)CC1 ZINC000104409264 170156745 /nfs/dbraw/zinc/15/67/45/170156745.db2.gz LDYJBDSIAXIXKF-LLVKDONJSA-N 1 0 236.363 1.635 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)NCc1ncccc1C ZINC000071344795 170157093 /nfs/dbraw/zinc/15/70/93/170157093.db2.gz GDRDOTFVTYAUCA-LLVKDONJSA-N 1 0 235.331 1.394 10 0 BDAERO CC[NH2+][C@H](C)c1nnc(-c2cc[nH]n2)o1 ZINC000062780073 170160242 /nfs/dbraw/zinc/16/02/42/170160242.db2.gz INCZMBNUBGYPBF-ZCFIWIBFSA-N 1 0 207.237 1.130 10 0 BDAERO CC[NH2+][C@H](C1=CCCCC1)[C@@H]1COCCO1 ZINC000055301268 170160681 /nfs/dbraw/zinc/16/06/81/170160681.db2.gz LDQYQBPZYNDANM-QWHCGFSZSA-N 1 0 225.332 1.880 10 0 BDAERO CC[NH2+][C@H](CC)[C@@H](C)c1nc(CCOC)no1 ZINC000104168140 170161158 /nfs/dbraw/zinc/16/11/58/170161158.db2.gz RZUZQOBNTSMWPB-NXEZZACHSA-N 1 0 241.335 1.750 10 0 BDAERO CC[NH2+][C@H](CCO)c1cccc2c1OCCO2 ZINC000095091363 170161753 /nfs/dbraw/zinc/16/17/53/170161753.db2.gz DUGVGQBFVVTFJR-LLVKDONJSA-N 1 0 237.299 1.491 10 0 BDAERO CC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000035545883 170164355 /nfs/dbraw/zinc/16/43/55/170164355.db2.gz SVZAXTBLVOFMSD-LBPRGKRZSA-N 1 0 231.299 1.917 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cnc(C)cn2)C[C@@H]1C ZINC000061321502 170167502 /nfs/dbraw/zinc/16/75/02/170167502.db2.gz DDOASAGWAPVUPQ-FZMZJTMJSA-N 1 0 248.374 1.605 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccc(C)o2)C1 ZINC000053038416 170167529 /nfs/dbraw/zinc/16/75/29/170167529.db2.gz SFNNCBGNUONUQS-NSHDSACASA-N 1 0 208.305 1.772 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccccn2)C1=O ZINC000049648724 170167827 /nfs/dbraw/zinc/16/78/27/170167827.db2.gz CJGCYQGTUJREOD-JQWIXIFHSA-N 1 0 233.315 1.353 10 0 BDAERO CC[NH2+][C@H]1CC[S@](=O)c2ccccc21 ZINC000040973501 170168647 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/nfs/dbraw/zinc/94/88/16/411948816.db2.gz YEUPIHWCKYRKOY-CQSZACIVSA-N 1 0 225.295 1.899 10 0 BDAERO CC[C@@H]1CCCC[N@@H+]1CC[C@H](NC)C(=O)OC ZINC000062446184 170964190 /nfs/dbraw/zinc/96/41/90/170964190.db2.gz ZQBDIUWDVSAKGK-NEPJUHHUSA-N 1 0 242.363 1.402 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000120233903 171041007 /nfs/dbraw/zinc/04/10/07/171041007.db2.gz CBTXRTJTKOXIRV-GHMZBOCLSA-N 1 0 226.364 1.927 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000336747106 171043634 /nfs/dbraw/zinc/04/36/34/171043634.db2.gz BTBICCIOCUEHOO-WOPDTQHZSA-N 1 0 212.337 1.095 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336726738 171044632 /nfs/dbraw/zinc/04/46/32/171044632.db2.gz GZFQHJCJWXLICV-ZNSHCXBVSA-N 1 0 210.321 1.432 10 0 BDAERO CC[C@@H]1CN(C[C@@H]2CCCC[C@@H]2[NH2+]C)CCO1 ZINC000053858176 171085613 /nfs/dbraw/zinc/08/56/13/171085613.db2.gz HEGWGHXGBFGLHT-MJBXVCDLSA-N 1 0 240.391 1.875 10 0 BDAERO CC[C@@H]1CN(Cc2ccc(O)cc2)[C@H](C)C[NH2+]1 ZINC000083361342 171087799 /nfs/dbraw/zinc/08/77/99/171087799.db2.gz LNKLJXSQUFCKRJ-DGCLKSJQSA-N 1 0 234.343 1.965 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1Cc1cccnc1 ZINC000082476529 171101432 /nfs/dbraw/zinc/10/14/32/171101432.db2.gz RIYIQGJZYAWSIR-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1nccs1 ZINC000083346784 171101652 /nfs/dbraw/zinc/10/16/52/171101652.db2.gz NJFXTWBSDBFWDY-DTWKUNHWSA-N 1 0 211.334 1.720 10 0 BDAERO CC[C@@H]1COCCN1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055087808 171103978 /nfs/dbraw/zinc/10/39/78/171103978.db2.gz BPSPBEJQQPGEQK-UTUOFQBUSA-N 1 0 240.347 1.141 10 0 BDAERO CC[C@@H]1COCCN1[C@@H](C[NH3+])c1ccsc1 ZINC000036323246 171108082 /nfs/dbraw/zinc/10/80/82/171108082.db2.gz PQTLGVKJKKTHQP-NEPJUHHUSA-N 1 0 240.372 1.859 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C[NH3+])o1 ZINC000052570953 171114143 /nfs/dbraw/zinc/11/41/43/171114143.db2.gz NKRAHZQCAUMBQJ-GHMZBOCLSA-N 1 0 238.331 1.738 10 0 BDAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](C)C(=O)OC ZINC000042451093 171114621 /nfs/dbraw/zinc/11/46/21/171114621.db2.gz RXWWUHKEKLIGCU-GMTAPVOTSA-N 1 0 229.320 1.295 10 0 BDAERO CC[C@@](C)([NH3+])c1nc2c(s1)CN(C)CC2 ZINC000041059553 171172873 /nfs/dbraw/zinc/17/28/73/171172873.db2.gz GBBANHVWJXDDKN-LLVKDONJSA-N 1 0 225.361 1.715 10 0 BDAERO CC[C@@](C)([NH2+]C[C@H]1Cc2ccccc21)C(N)=O ZINC000310174958 171176203 /nfs/dbraw/zinc/17/62/03/171176203.db2.gz QUNJHISYIGLTCU-BXUZGUMPSA-N 1 0 232.327 1.570 10 0 BDAERO CC[C@@]([NH2+]C1CC1)(C(N)=O)c1ccc(C)cc1 ZINC000037514588 171195113 /nfs/dbraw/zinc/19/51/13/171195113.db2.gz ODONWYIGIIPAJO-AWEZNQCLSA-N 1 0 232.327 1.838 10 0 BDAERO CC[C@@]1(C(=O)N[C@H](C)CC2CC2)CCC[NH2+]1 ZINC000129036185 171195368 /nfs/dbraw/zinc/19/53/68/171195368.db2.gz BDDJXYWCRFOALZ-MFKMUULPSA-N 1 0 224.348 1.823 10 0 BDAERO CC[C@H](C)C[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000120443871 171281888 /nfs/dbraw/zinc/28/18/88/171281888.db2.gz KZEDPDMOSNGLPT-MJBXVCDLSA-N 1 0 242.407 1.810 10 0 BDAERO CC[C@H](C)C[NH2+][C@@H]1CCc2nccn2C1 ZINC000368424381 171286959 /nfs/dbraw/zinc/28/69/59/171286959.db2.gz JMWWVXFPBKFFFN-WDEREUQCSA-N 1 0 207.321 1.834 10 0 BDAERO CC[C@H](C)C[C@@](CC)(C[NH3+])N1CCOCC1 ZINC000019436357 171296158 /nfs/dbraw/zinc/29/61/58/171296158.db2.gz VAXREIKHUZZVCT-STQMWFEESA-N 1 0 228.380 1.862 10 0 BDAERO CC[C@H](C)N(C)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000037110635 171301738 /nfs/dbraw/zinc/30/17/38/171301738.db2.gz IJUAMPHROJMAFJ-WDEREUQCSA-N 1 0 212.337 1.776 10 0 BDAERO CC[C@H](C)[N@H+](C)C1(CN)CCOCC1 ZINC000036304920 171304915 /nfs/dbraw/zinc/30/49/15/171304915.db2.gz QEOOGPRDKSPUFU-JTQLQIEISA-N 1 0 200.326 1.225 10 0 BDAERO CC[C@H](C)[N@H+](C)[C@]1(CN)CCCSC1 ZINC000061590016 171310221 /nfs/dbraw/zinc/31/02/21/171310221.db2.gz RIEKKMXPJKVANS-QWRGUYRKSA-N 1 0 216.394 1.941 10 0 BDAERO CC[C@H](C)[N@H+](CC)CC[C@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062446554 171312590 /nfs/dbraw/zinc/31/25/90/171312590.db2.gz BOKIBOWXSQDDTN-JQWIXIFHSA-N 1 0 242.363 1.702 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)[C@H]1CCCC[NH2+]1 ZINC000042591126 171315176 /nfs/dbraw/zinc/31/51/76/171315176.db2.gz BLUUIHVIPVZVTE-NWDGAFQWSA-N 1 0 242.363 1.402 10 0 BDAERO CC[C@H](C)NC(=O)C[C@H](C[NH3+])c1ccco1 ZINC000076611743 171327536 /nfs/dbraw/zinc/32/75/36/171327536.db2.gz RBKXIKTVQFXDAQ-VHSXEESVSA-N 1 0 224.304 1.627 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000037386402 171339705 /nfs/dbraw/zinc/33/97/05/171339705.db2.gz SZDAATPZXLSUPG-VIFPVBQESA-N 1 0 249.314 1.112 10 0 BDAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1OC ZINC000038065209 171344699 /nfs/dbraw/zinc/34/46/99/171344699.db2.gz HVDDYCNBFCZZJS-JOYOIKCWSA-N 1 0 236.315 1.610 10 0 BDAERO CC[C@H](C)[NH2+][C@@]1(C(N)=O)CCc2ccccc21 ZINC000038065235 171347469 /nfs/dbraw/zinc/34/74/69/171347469.db2.gz PIGLTQGMDHMKJE-HZMBPMFUSA-N 1 0 232.327 1.702 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1nnc(C)n1C1CC1 ZINC000042031338 171372731 /nfs/dbraw/zinc/37/27/31/171372731.db2.gz LJSPWPFKLGJNDU-OIBJUYFYSA-N 1 0 208.309 1.967 10 0 BDAERO CC[C@@H](C)N(C)C(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000040487128 171393575 /nfs/dbraw/zinc/39/35/75/171393575.db2.gz PRZUBFJCHUJKSK-AEJSXWLSSA-N 1 0 200.326 1.617 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CN1CCn2ccnc2C1 ZINC000062321420 171396656 /nfs/dbraw/zinc/39/66/56/171396656.db2.gz DVNRFSHAIHBJPH-WDEREUQCSA-N 1 0 222.336 1.072 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CSc1nncn1C ZINC000087541364 171397049 /nfs/dbraw/zinc/39/70/49/171397049.db2.gz TXRIJJTWNNSICP-JGVFFNPUSA-N 1 0 214.338 1.281 10 0 BDAERO [NH3+][C@H]1C[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC000662449940 412179552 /nfs/dbraw/zinc/17/95/52/412179552.db2.gz BBHVJJSKFXRHLU-OVTSPYGQSA-N 1 0 248.370 1.665 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)C1CCCC1 ZINC000662459864 412183503 /nfs/dbraw/zinc/18/35/03/412183503.db2.gz MTFKBAVDPHMXOI-GXSJLCMTSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665243906 412187482 /nfs/dbraw/zinc/18/74/82/412187482.db2.gz AUUBCYMYSPNWSV-AXFHLTTASA-N 1 0 248.317 1.388 10 0 BDAERO CC[C@H]([NH3+])c1ccccc1OCCC(=O)NC ZINC000051756838 171492056 /nfs/dbraw/zinc/49/20/56/171492056.db2.gz RDPLZSLJEPGMHR-NSHDSACASA-N 1 0 236.315 1.611 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662503443 412197676 /nfs/dbraw/zinc/19/76/76/412197676.db2.gz TXCUJKOBQAGATH-IUCAKERBSA-N 1 0 208.305 1.173 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@]1(C)CC1(F)F ZINC000662665697 412264939 /nfs/dbraw/zinc/26/49/39/412264939.db2.gz KDQJYNLHVQRQJT-IONNQARKSA-N 1 0 220.263 1.275 10 0 BDAERO COc1cccc(CN[C@H]2CC[NH2+]C2)c1C ZINC000665293782 412238784 /nfs/dbraw/zinc/23/87/84/412238784.db2.gz CLZYGRVUSPWDIO-LBPRGKRZSA-N 1 0 220.316 1.455 10 0 BDAERO CC[C@H]1COCCN1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055087809 171670355 /nfs/dbraw/zinc/67/03/55/171670355.db2.gz BPSPBEJQQPGEQK-TUAOUCFPSA-N 1 0 240.347 1.141 10 0 BDAERO CC(F)(F)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000662898100 412338727 /nfs/dbraw/zinc/33/87/27/412338727.db2.gz KUABXHLLVGGWCF-YUMQZZPRSA-N 1 0 220.263 1.133 10 0 BDAERO CC(F)(F)CNC(=O)C1CCC([NH3+])CC1 ZINC000662899641 412339573 /nfs/dbraw/zinc/33/95/73/412339573.db2.gz YWTHQRIHUSKMRF-UHFFFAOYSA-N 1 0 220.263 1.275 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NC2CC3(CCC3)C2)C1 ZINC000662909479 412342038 /nfs/dbraw/zinc/34/20/38/412342038.db2.gz MOOCTOWHIQMDGF-NXEZZACHSA-N 1 0 222.332 1.563 10 0 BDAERO CC[C@](O)(C[NH3+])c1cc(F)ccc1F ZINC000036157377 171710302 /nfs/dbraw/zinc/71/03/02/171710302.db2.gz LNAXPCGVOZPMAG-JTQLQIEISA-N 1 0 201.216 1.521 10 0 BDAERO CC[C@]1(C(=O)OCC2CCOCC2)CC[NH2+]C1 ZINC000062921783 171711731 /nfs/dbraw/zinc/71/17/31/171711731.db2.gz SHLLVRWJGJMQGU-ZDUSSCGKSA-N 1 0 241.331 1.346 10 0 BDAERO CCCOc1nccnc1NC[C@@H]1CC[NH2+]C1 ZINC000630513688 412359429 /nfs/dbraw/zinc/35/94/29/412359429.db2.gz PCCHRRSJIOAHPG-SNVBAGLBSA-N 1 0 236.319 1.287 10 0 BDAERO Cc1cn(C)nc1NC(=O)C1CCC([NH3+])CC1 ZINC000662970940 412360622 /nfs/dbraw/zinc/36/06/22/412360622.db2.gz VLTAXAPIYIIBFN-UHFFFAOYSA-N 1 0 236.319 1.185 10 0 BDAERO CCCCC(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662978235 412361362 /nfs/dbraw/zinc/36/13/62/412361362.db2.gz ZPZUYWBUWKZYSN-SSDOTTSWSA-N 1 0 226.242 1.525 10 0 BDAERO CC[C@]1(C2=[NH+]CCN2)Cc2ccccc2N1C ZINC000028016688 171722963 /nfs/dbraw/zinc/72/29/63/171722963.db2.gz FIXLZMQWQQKRIN-CQSZACIVSA-N 1 0 229.327 1.829 10 0 BDAERO CCc1c(C)ncnc1NC1CC[NH2+]CC1 ZINC000045950820 171741262 /nfs/dbraw/zinc/74/12/62/171741262.db2.gz FITNJJRWHKGUGF-UHFFFAOYSA-N 1 0 220.320 1.511 10 0 BDAERO CCc1c(C)nn([C@H]2CCC[NH2+]C2)c1C ZINC000042290484 171741528 /nfs/dbraw/zinc/74/15/28/171741528.db2.gz KECGEULILFOJHO-NSHDSACASA-N 1 0 207.321 1.987 10 0 BDAERO CCCc1nccnc1NCC[C@H]1CC[NH2+]C1 ZINC000663269991 412403296 /nfs/dbraw/zinc/40/32/96/412403296.db2.gz DWKSFIMLXZQGAK-LLVKDONJSA-N 1 0 234.347 1.841 10 0 BDAERO CCCc1nccnc1N1CC[C@H](C[NH3+])C1 ZINC000663269812 412403334 /nfs/dbraw/zinc/40/33/34/412403334.db2.gz CDSAFRRZLNBVKA-SNVBAGLBSA-N 1 0 220.320 1.214 10 0 BDAERO CCCc1nccnc1N1CC[C@H](C[NH2+]C)C1 ZINC000663270808 412403368 /nfs/dbraw/zinc/40/33/68/412403368.db2.gz QSSIXIGRWXSBCC-LLVKDONJSA-N 1 0 234.347 1.475 10 0 BDAERO CCc1cc(NCC23CC(C2)C[NH2+]3)nc(C)n1 ZINC000663274073 412404199 /nfs/dbraw/zinc/40/41/99/412404199.db2.gz MLKNDLJTQNOATP-UHFFFAOYSA-N 1 0 232.331 1.511 10 0 BDAERO c1cc2c(ccnc2NCC23CC(C2)C[NH2+]3)o1 ZINC000663274495 412404597 /nfs/dbraw/zinc/40/45/97/412404597.db2.gz QZPVUUISTKKNHU-UHFFFAOYSA-N 1 0 229.283 1.992 10 0 BDAERO CCCc1nccnc1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000663273215 412404645 /nfs/dbraw/zinc/40/46/45/412404645.db2.gz YCLZLHNERHWZEO-GHMZBOCLSA-N 1 0 234.347 1.603 10 0 BDAERO CCOc1cc(N(C)CC(C)(C)[NH3+])nc(C)n1 ZINC000663273789 412404727 /nfs/dbraw/zinc/40/47/27/412404727.db2.gz IFJWRMKZKFBFOL-UHFFFAOYSA-N 1 0 238.335 1.357 10 0 BDAERO CCCc1nccnc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000663274867 412405564 /nfs/dbraw/zinc/40/55/64/412405564.db2.gz QNBWSLPGCLPHTL-VXGBXAGGSA-N 1 0 246.358 1.617 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nc2ccccc2nc1C ZINC000663278625 412407571 /nfs/dbraw/zinc/40/75/71/412407571.db2.gz KWEXKBJVDVYZRQ-VIFPVBQESA-N 1 0 230.315 1.958 10 0 BDAERO CCc1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000057520923 171803967 /nfs/dbraw/zinc/80/39/67/171803967.db2.gz RMLKDDUDHFWZTP-ZDUSSCGKSA-N 1 0 232.327 1.617 10 0 BDAERO CCc1ccc(SC[C@@H](O)C[NH2+]C)cc1 ZINC000019686895 171828691 /nfs/dbraw/zinc/82/86/91/171828691.db2.gz ZXGOMGNVWSCTMP-NSHDSACASA-N 1 0 225.357 1.921 10 0 BDAERO CCc1ccc([C@@H]2C[C@]2(C[NH3+])CO)cc1 ZINC000070500192 171836996 /nfs/dbraw/zinc/83/69/96/171836996.db2.gz UZYJKJJTRQANDA-STQMWFEESA-N 1 0 205.301 1.674 10 0 BDAERO CCc1nc(CC[NH2+][C@H](C)CCOC)no1 ZINC000336772758 171969952 /nfs/dbraw/zinc/96/99/52/171969952.db2.gz VQWMCZNRHZEKTG-SECBINFHSA-N 1 0 227.308 1.189 10 0 BDAERO CCc1nc(CO[C@@H]2CCC[NH2+]C2)cs1 ZINC000051787535 171989472 /nfs/dbraw/zinc/98/94/72/171989472.db2.gz ZWWIFAKYZZRNJC-SNVBAGLBSA-N 1 0 226.345 1.974 10 0 BDAERO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC000194951765 172029362 /nfs/dbraw/zinc/02/93/62/172029362.db2.gz DIHDSBNJRMSJBD-VXGBXAGGSA-N 1 0 237.347 1.463 10 0 BDAERO CCc1nccn1[C@H](C[NH3+])c1ccccc1 ZINC000042899622 172029688 /nfs/dbraw/zinc/02/96/88/172029688.db2.gz IUQHYUPZAORMJY-GFCCVEGCSA-N 1 0 215.300 1.994 10 0 BDAERO CCc1nnc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])s1 ZINC000226298956 172058043 /nfs/dbraw/zinc/05/80/43/172058043.db2.gz ODVPCPIAFNVOSQ-RNFRBKRXSA-N 1 0 240.332 1.166 10 0 BDAERO CCc1nnc(N[C@@H]2CCC[C@H]2C[NH3+])nc1CC ZINC000097838000 172060099 /nfs/dbraw/zinc/06/00/99/172060099.db2.gz RUAURBJAZGXNBG-JOYOIKCWSA-N 1 0 249.362 1.536 10 0 BDAERO CCc1noc([C@@H](C[NH3+])c2ccccc2)n1 ZINC000061609372 172090485 /nfs/dbraw/zinc/09/04/85/172090485.db2.gz LUQRZJQWSJXOID-JTQLQIEISA-N 1 0 217.272 1.723 10 0 BDAERO CCn1c(C)nnc1C[C@@H]1CCC[NH2+]C1 ZINC000054302144 172140559 /nfs/dbraw/zinc/14/05/59/172140559.db2.gz JAAAMHNWCAYLIV-JTQLQIEISA-N 1 0 208.309 1.149 10 0 BDAERO CCn1c(CC[NH2+]C)nc2ccccc21 ZINC000019750582 172144906 /nfs/dbraw/zinc/14/49/06/172144906.db2.gz IFEDLHCFJVOKPI-UHFFFAOYSA-N 1 0 203.289 1.818 10 0 BDAERO CCn1cc(CO[C@@H]2CCC[NH2+]C2)cn1 ZINC000051787447 172176656 /nfs/dbraw/zinc/17/66/56/172176656.db2.gz ALNKCXKSKSWCBU-LLVKDONJSA-N 1 0 209.293 1.172 10 0 BDAERO CCn1cc(Cn2cc([C@H](C)[NH3+])cn2)cn1 ZINC000054716942 172178189 /nfs/dbraw/zinc/17/81/89/172178189.db2.gz MEJCUVHOLBXFSV-VIFPVBQESA-N 1 0 219.292 1.168 10 0 BDAERO CCn1cc(Cn2cc([C@@H](C)[NH3+])cn2)cn1 ZINC000054716941 172178518 /nfs/dbraw/zinc/17/85/18/172178518.db2.gz MEJCUVHOLBXFSV-SECBINFHSA-N 1 0 219.292 1.168 10 0 BDAERO CCn1cc(N2CCC([NH2+]C)CC2)cn1 ZINC000035781182 172178675 /nfs/dbraw/zinc/17/86/75/172178675.db2.gz RNULIIJVZSSYFL-UHFFFAOYSA-N 1 0 208.309 1.091 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000234190724 172207215 /nfs/dbraw/zinc/20/72/15/172207215.db2.gz JGTKWYWXZKDUMW-SECBINFHSA-N 1 0 236.237 1.521 10 0 BDAERO CCn1cccc1C[NH2+]CCSCCCO ZINC000230785517 172207677 /nfs/dbraw/zinc/20/76/77/172207677.db2.gz QOXGDUJFIXTENY-UHFFFAOYSA-N 1 0 242.388 1.713 10 0 BDAERO CCn1cccc1C[NH2+]C1CCOCC1 ZINC000085608860 172207707 /nfs/dbraw/zinc/20/77/07/172207707.db2.gz BCQWNVHOHAUWBK-UHFFFAOYSA-N 1 0 208.305 1.777 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)[C@@H](CO)SC ZINC000228329180 172209300 /nfs/dbraw/zinc/20/93/00/172209300.db2.gz PIGFQXHZEKQFCV-CMPLNLGQSA-N 1 0 242.388 1.710 10 0 BDAERO CCn1ccnc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000303990235 172219498 /nfs/dbraw/zinc/21/94/98/172219498.db2.gz LCSPOGBAHJFJCQ-VXGBXAGGSA-N 1 0 237.347 1.638 10 0 BDAERO CCn1ccnc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000053712651 172225209 /nfs/dbraw/zinc/22/52/09/172225209.db2.gz JEYSSMNYLGBSIN-AOOOYVTPSA-N 1 0 208.309 1.090 10 0 BDAERO CCn1ccnc1[C@@H]([NH3+])c1cccc(OC)c1 ZINC000011735711 172230218 /nfs/dbraw/zinc/23/02/18/172230218.db2.gz LSEQOGCHRCMJQH-LBPRGKRZSA-N 1 0 231.299 1.960 10 0 BDAERO CCn1cnnc1CC[C@@H]1CCC[NH2+]C1 ZINC000054497667 172235461 /nfs/dbraw/zinc/23/54/61/172235461.db2.gz BREDSGAMMKLITO-JTQLQIEISA-N 1 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CN(C(=O)COc1ccccc1CC[NH3+])C1CC1 ZINC000049306531 172313073 /nfs/dbraw/zinc/31/30/73/172313073.db2.gz QQNNNXJOVOAGCL-UHFFFAOYSA-N 1 0 248.326 1.187 10 0 BDAERO CN(C(=O)Cc1ccc(O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000037540934 172315321 /nfs/dbraw/zinc/31/53/21/172315321.db2.gz MGWUJFRJXAYXMS-GFCCVEGCSA-N 1 0 248.326 1.145 10 0 BDAERO CN(C(=O)[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000019814199 172327255 /nfs/dbraw/zinc/32/72/55/172327255.db2.gz PEIWRUJHPWMHLY-SNVBAGLBSA-N 1 0 219.288 1.044 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCSC1 ZINC000084309330 172327780 /nfs/dbraw/zinc/32/77/80/172327780.db2.gz GNSCXUKKSWDJPZ-OUAUKWLOSA-N 1 0 242.388 1.325 10 0 BDAERO CN(C(=O)[C@@](C)([NH3+])C1CC1)C1CCCC1 ZINC000037654810 172331028 /nfs/dbraw/zinc/33/10/28/172331028.db2.gz HBKLRTVYWQNGLY-LBPRGKRZSA-N 1 0 210.321 1.515 10 0 BDAERO CN(C(=O)c1ccc2ncccc2c1)C1C[NH2+]C1 ZINC000090289839 172341300 /nfs/dbraw/zinc/34/13/00/172341300.db2.gz KBLZYVMURJGHKH-UHFFFAOYSA-N 1 0 241.294 1.279 10 0 BDAERO CN(C)C(=O)CCCOCC[C@H]1CCCC[NH2+]1 ZINC000051862512 172358378 /nfs/dbraw/zinc/35/83/78/172358378.db2.gz YOHLMLGTHNXQQB-GFCCVEGCSA-N 1 0 242.363 1.404 10 0 BDAERO CN(C)C(=O)Nc1ccc(CC[NH3+])cc1 ZINC000082640407 172382185 /nfs/dbraw/zinc/38/21/85/172382185.db2.gz PNSPZQFWZPGMOP-UHFFFAOYSA-N 1 0 207.277 1.281 10 0 BDAERO CN(C)C(=O)c1cc(N[C@H]2CCC[C@@H]2[NH3+])ccn1 ZINC000063177320 172388853 /nfs/dbraw/zinc/38/88/53/172388853.db2.gz VARKSEPOTHHXPI-QWRGUYRKSA-N 1 0 248.330 1.075 10 0 BDAERO CN(C)C(C)(C)C[NH2+]CCOc1ccccc1 ZINC000049855274 172394491 /nfs/dbraw/zinc/39/44/91/172394491.db2.gz JWUAJOYUXJVCTQ-UHFFFAOYSA-N 1 0 236.359 1.995 10 0 BDAERO CN(C)C(C)(C)C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020441386 172398128 /nfs/dbraw/zinc/39/81/28/172398128.db2.gz LFMNPDDNBCBUTG-GFCCVEGCSA-N 1 0 225.380 1.010 10 0 BDAERO CN(CCC(N)=[NH2+])c1nncc2ccccc21 ZINC000035663599 172667703 /nfs/dbraw/zinc/66/77/03/172667703.db2.gz YPNVXAJPBBFFRI-UHFFFAOYSA-N 1 0 229.287 1.392 10 0 BDAERO CN(CC[C@@H]1CCCC[NH2+]1)C(=O)NC1CC1 ZINC000054457110 172773568 /nfs/dbraw/zinc/77/35/68/172773568.db2.gz QFVDCRJTXIHECX-JTQLQIEISA-N 1 0 225.336 1.322 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000036321626 172827169 /nfs/dbraw/zinc/82/71/69/172827169.db2.gz PVTOCMCSRITHDT-LLVKDONJSA-N 1 0 212.337 1.239 10 0 BDAERO CN(C[C@H]1CC[C@H](C[NH3+])O1)c1ccc(F)cc1 ZINC000052540514 172834957 /nfs/dbraw/zinc/83/49/57/172834957.db2.gz XKULXIZBDJHXHA-CHWSQXEVSA-N 1 0 238.306 1.768 10 0 BDAERO CN(Cc1ccncc1)c1cc(C[NH3+])ccn1 ZINC000036771802 172900292 /nfs/dbraw/zinc/90/02/92/172900292.db2.gz SRINGSUCCXUESM-UHFFFAOYSA-N 1 0 228.299 1.572 10 0 BDAERO CN(c1cccc(F)c1)c1ccc(C[NH3+])nn1 ZINC000051397776 172948107 /nfs/dbraw/zinc/94/81/07/172948107.db2.gz OUDZSUJBGGHMPL-UHFFFAOYSA-N 1 0 232.262 1.842 10 0 BDAERO CN(c1cccc(C[NH3+])c1)c1cccnn1 ZINC000061951023 172948708 /nfs/dbraw/zinc/94/87/08/172948708.db2.gz IOWVZJGXBPIKHL-UHFFFAOYSA-N 1 0 214.272 1.703 10 0 BDAERO C[NH+]1CCC(Oc2cccc(F)c2N)CC1 ZINC000041018657 173000849 /nfs/dbraw/zinc/00/08/49/173000849.db2.gz NXUSDTUQCJHMGZ-UHFFFAOYSA-N 1 0 224.279 1.881 10 0 BDAERO Cn1nc(C2CC[NH+](C)CC2)c2c1NCCCC2 ZINC000003697844 173001869 /nfs/dbraw/zinc/00/18/69/173001869.db2.gz DGBWAVNSVYRYDY-UHFFFAOYSA-N 1 0 248.374 1.978 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CNc1ccc(C(N)=O)cc1 ZINC000054239738 173006187 /nfs/dbraw/zinc/00/61/87/173006187.db2.gz GTKYQKPSSGHXJG-CYBMUJFWSA-N 1 0 247.342 1.682 10 0 BDAERO CN1CCC[N@H+](CCc2ccccc2N)CC1 ZINC000052918223 173015076 /nfs/dbraw/zinc/01/50/76/173015076.db2.gz ITTFNGBSRUJJEO-UHFFFAOYSA-N 1 0 233.359 1.449 10 0 BDAERO C[N@@H+]1CCC[C@H]1CCOc1ccncc1N ZINC000040240457 173053812 /nfs/dbraw/zinc/05/38/12/173053812.db2.gz LQUIYCCDBWOVED-JTQLQIEISA-N 1 0 221.304 1.527 10 0 BDAERO C[N@@H+]1CCC[C@H]1COC(=O)c1ccccc1 ZINC000039203857 173055407 /nfs/dbraw/zinc/05/54/07/173055407.db2.gz PXVQMUATEFMGFD-LBPRGKRZSA-N 1 0 219.284 1.938 10 0 BDAERO C[NH+]1CCN(c2n[nH]c3ccccc32)CC1 ZINC000000013498 173094869 /nfs/dbraw/zinc/09/48/69/173094869.db2.gz QEGQWEDKMMRTLW-UHFFFAOYSA-N 1 0 216.288 1.315 10 0 BDAERO C[N@@H+]1CC[C@@H](CNCc2cscn2)C1 ZINC000040505206 173117323 /nfs/dbraw/zinc/11/73/23/173117323.db2.gz AJSPUYYJGPSUHH-VIFPVBQESA-N 1 0 211.334 1.184 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2ncccc2N)C1 ZINC000037655374 173117739 /nfs/dbraw/zinc/11/77/39/173117739.db2.gz PUIKWSOVKQTGOJ-VIFPVBQESA-N 1 0 206.293 1.027 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc3scnc3c2N)C1 ZINC000042545038 173125590 /nfs/dbraw/zinc/12/55/90/173125590.db2.gz ZIIHLJCSZOSEMB-MRVPVSSYSA-N 1 0 248.355 1.995 10 0 BDAERO C[N@@H+]1CC[C@@]2(CCN(c3cccnc3)C2)C1 ZINC000090504969 173142079 /nfs/dbraw/zinc/14/20/79/173142079.db2.gz ALQBQIXPAIIETO-CYBMUJFWSA-N 1 0 217.316 1.614 10 0 BDAERO C[N@@H+]1CC[C@H](CNCc2ccccc2F)C1 ZINC000037484728 173147227 /nfs/dbraw/zinc/14/72/27/173147227.db2.gz FVXPZQHVWJSEIK-LLVKDONJSA-N 1 0 222.307 1.867 10 0 BDAERO CN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccco2)C1=O ZINC000116288987 173150053 /nfs/dbraw/zinc/15/00/53/173150053.db2.gz GRLYSIOTVMFPON-MNOVXSKESA-N 1 0 234.299 1.647 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc(F)cc2N)C1 ZINC000042544867 173153788 /nfs/dbraw/zinc/15/37/88/173153788.db2.gz GLXVVHCOLQAFQW-VIFPVBQESA-N 1 0 209.268 1.524 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2cccc(CO)c2)C1 ZINC000061985949 173155778 /nfs/dbraw/zinc/15/57/78/173155778.db2.gz IXWMBYRGBSYPSM-LBPRGKRZSA-N 1 0 206.289 1.295 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2cccc(F)c2N)C1 ZINC000042545076 173156906 /nfs/dbraw/zinc/15/69/06/173156906.db2.gz VNIMMVLPPLWANQ-QMMMGPOBSA-N 1 0 209.268 1.524 10 0 BDAERO C[N@@H+]1CC[C@]2(CCCN2c2cccnc2)C1 ZINC000090504964 173163984 /nfs/dbraw/zinc/16/39/84/173163984.db2.gz LZPRBZUMUFPWFX-CYBMUJFWSA-N 1 0 217.316 1.756 10 0 BDAERO CNC(=O)COc1cc(C)ccc1[C@H](C)[NH2+]C ZINC000104343817 173279333 /nfs/dbraw/zinc/27/93/33/173279333.db2.gz QTRMCKFYURFNGP-JTQLQIEISA-N 1 0 236.315 1.400 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000042560984 173295228 /nfs/dbraw/zinc/29/52/28/173295228.db2.gz ACPDEEIBQVRWMS-WDEREUQCSA-N 1 0 246.354 1.960 10 0 BDAERO CNC(=O)[C@H](C)Oc1cccc([C@@H](C)[NH2+]C)c1 ZINC000034821949 173304290 /nfs/dbraw/zinc/30/42/90/173304290.db2.gz OPYGWMVXFBVRTD-ZJUUUORDSA-N 1 0 236.315 1.480 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)c1cccc(C)c1 ZINC000061319137 173317529 /nfs/dbraw/zinc/31/75/29/173317529.db2.gz JHMVVMNZWXMPBG-UHFFFAOYSA-N 1 0 220.316 1.956 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)c1ccc(C)cc1 ZINC000061319138 173317899 /nfs/dbraw/zinc/31/78/99/173317899.db2.gz KONQWBRIHFYKDU-UHFFFAOYSA-N 1 0 220.316 1.956 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(O)cc1 ZINC000061316305 173318166 /nfs/dbraw/zinc/31/81/66/173318166.db2.gz KZFBAYKXPORRHS-UHFFFAOYSA-N 1 0 208.261 1.329 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccsc1 ZINC000061366075 173318307 /nfs/dbraw/zinc/31/83/07/173318307.db2.gz VZCVFSVXWXDNCT-QMMMGPOBSA-N 1 0 226.345 1.923 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000061300253 173318493 /nfs/dbraw/zinc/31/84/93/173318493.db2.gz YDMJTJHSIAPNMI-AOOOYVTPSA-N 1 0 212.337 1.774 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000061319107 173318510 /nfs/dbraw/zinc/31/85/10/173318510.db2.gz MWRBFFDDAQMCLX-SECBINFHSA-N 1 0 228.336 1.010 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000061300207 173318584 /nfs/dbraw/zinc/31/85/84/173318584.db2.gz DKDQCDMMMCYULL-VHSXEESVSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]CC(=O)N(C)c1ccc(C)cc1C ZINC000049988921 173324958 /nfs/dbraw/zinc/32/49/58/173324958.db2.gz RLGMJWGQHNWNPF-UHFFFAOYSA-N 1 0 206.289 1.486 10 0 BDAERO C[NH2+]CC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000193131608 173328184 /nfs/dbraw/zinc/32/81/84/173328184.db2.gz PLOQJELBYCXOML-MNOVXSKESA-N 1 0 236.315 1.799 10 0 BDAERO C[NH2+]CC(=O)NCCCc1cc(C)ccc1C ZINC000077369817 173328822 /nfs/dbraw/zinc/32/88/22/173328822.db2.gz SMBHPPCQYICYAA-UHFFFAOYSA-N 1 0 234.343 1.572 10 0 BDAERO C[NH2+]CC(=O)NCCOc1cc(C)ccc1C ZINC000077372670 173329534 /nfs/dbraw/zinc/32/95/34/173329534.db2.gz HXZJOZWLQPDVMI-UHFFFAOYSA-N 1 0 236.315 1.018 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000037766724 173330290 /nfs/dbraw/zinc/33/02/90/173330290.db2.gz QXUPDIJQEMHAQH-QMMMGPOBSA-N 1 0 242.269 1.231 10 0 BDAERO C[NH2+]CC(=O)N[C@@H](C)c1sc(C)nc1C ZINC000040519057 173331895 /nfs/dbraw/zinc/33/18/95/173331895.db2.gz GNVBMQQLEVCVQX-ZETCQYMHSA-N 1 0 227.333 1.157 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(SC)ccc1C ZINC000261551969 173333639 /nfs/dbraw/zinc/33/36/39/173333639.db2.gz QWUVXRXLDZHHGP-UHFFFAOYSA-N 1 0 224.329 1.875 10 0 BDAERO C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1F ZINC000061118816 173341187 /nfs/dbraw/zinc/34/11/87/173341187.db2.gz LLYOJIKTOBHLSX-UHFFFAOYSA-N 1 0 232.205 1.652 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc2c(c1)CCC2 ZINC000077366503 173342127 /nfs/dbraw/zinc/34/21/27/173342127.db2.gz JZYADRSXIZFKQW-UHFFFAOYSA-N 1 0 233.311 1.828 10 0 BDAERO C[NH2+]CCC[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000057358729 173348619 /nfs/dbraw/zinc/34/86/19/173348619.db2.gz IQCRMPCMBUTQJG-UHFFFAOYSA-N 1 0 222.288 1.084 10 0 BDAERO C[NH2+]CCCc1nc2ccccc2n1C ZINC000036925177 173351620 /nfs/dbraw/zinc/35/16/20/173351620.db2.gz KTKNKZIDAWXUMX-UHFFFAOYSA-N 1 0 203.289 1.725 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc2[nH]c(C)nc2c1 ZINC000077403815 173353252 /nfs/dbraw/zinc/35/32/52/173353252.db2.gz VXBDJOWMMULYPS-UHFFFAOYSA-N 1 0 246.358 1.565 10 0 BDAERO C[NH2+]CCOCCc1ccc2c(c1)CCO2 ZINC000077332458 173356865 /nfs/dbraw/zinc/35/68/65/173356865.db2.gz GDFKFDASDNVGHI-UHFFFAOYSA-N 1 0 221.300 1.400 10 0 BDAERO C[NH2+]CCOCCc1ccc2c(c1)CCCO2 ZINC000077371337 173357087 /nfs/dbraw/zinc/35/70/87/173357087.db2.gz DSWMPPCFENZDRT-UHFFFAOYSA-N 1 0 235.327 1.790 10 0 BDAERO C[NH2+]CCOCCc1ccc2c(c1)OCO2 ZINC000077335231 173357115 /nfs/dbraw/zinc/35/71/15/173357115.db2.gz NMUZHZZQHUORRD-UHFFFAOYSA-N 1 0 223.272 1.194 10 0 BDAERO C[NH2+]CCOc1ncnc2sc(C)c(C)c21 ZINC000051866705 173357509 /nfs/dbraw/zinc/35/75/09/173357509.db2.gz OLPATUBAGBIEHE-UHFFFAOYSA-N 1 0 237.328 1.906 10 0 BDAERO C[NH2+]CCc1cn(C)nc1C(F)(F)F ZINC000083286613 173360352 /nfs/dbraw/zinc/36/03/52/173360352.db2.gz GWKKDIZGAIDBAC-UHFFFAOYSA-N 1 0 207.199 1.201 10 0 BDAERO C[NH2+]CCc1nc2c(s1)CSCC2 ZINC000053296524 173361268 /nfs/dbraw/zinc/36/12/68/173361268.db2.gz XDQYFHDUSZMVCO-UHFFFAOYSA-N 1 0 214.359 1.694 10 0 BDAERO C[NH2+]CCc1nnc(-c2cccc(C)n2)o1 ZINC000050619488 173361760 /nfs/dbraw/zinc/36/17/60/173361760.db2.gz NHIIOSWEQBQCDI-UHFFFAOYSA-N 1 0 218.260 1.202 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc(F)c(C)c2)n1 ZINC000063058756 173361763 /nfs/dbraw/zinc/36/17/63/173361763.db2.gz BAQYNXKNQBPJDV-UHFFFAOYSA-N 1 0 235.262 1.946 10 0 BDAERO C[NH2+]CCc1nnc(-c2ccccc2F)o1 ZINC000050619456 173362248 /nfs/dbraw/zinc/36/22/48/173362248.db2.gz PZIJUWKPOFXXLU-UHFFFAOYSA-N 1 0 221.235 1.638 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)N1C[C@H](C)OC(C)(C)C1 ZINC000052543348 173362416 /nfs/dbraw/zinc/36/24/16/173362416.db2.gz WFRDIIRHYXLJJN-RYUDHWBXSA-N 1 0 228.380 1.730 10 0 BDAERO C[NH2+]C[C@@H](C)OCc1cnn(-c2ccccc2)c1 ZINC000051842321 173364919 /nfs/dbraw/zinc/36/49/19/173364919.db2.gz AAXFQWZATJMSOL-GFCCVEGCSA-N 1 0 245.326 1.997 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000011892301 173370565 /nfs/dbraw/zinc/37/05/65/173370565.db2.gz PBIOKOOKUSTJLI-NSHDSACASA-N 1 0 220.316 1.741 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1cc(C)c(OC)cc1C ZINC000036161347 173372500 /nfs/dbraw/zinc/37/25/00/173372500.db2.gz IQGJBEHMCBCKBO-CYBMUJFWSA-N 1 0 223.316 1.739 10 0 BDAERO C[NH2+]C[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000071536720 173376542 /nfs/dbraw/zinc/37/65/42/173376542.db2.gz IFMZZRSYYUMRTD-SNVBAGLBSA-N 1 0 233.233 1.828 10 0 BDAERO C[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000019864703 173376683 /nfs/dbraw/zinc/37/66/83/173376683.db2.gz AALWLEFIGXXLTA-VIFPVBQESA-N 1 0 215.680 1.299 10 0 BDAERO C[NH2+]C[C@H]1CCN(C(=O)c2cccn2C(C)C)C1 ZINC000071143270 173380760 /nfs/dbraw/zinc/38/07/60/173380760.db2.gz BZDRPALMHFZZTQ-GFCCVEGCSA-N 1 0 249.358 1.751 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2ccccc2OC)C1 ZINC000011892296 173381561 /nfs/dbraw/zinc/38/15/61/173381561.db2.gz YZOKIXAGKHSMNZ-LLVKDONJSA-N 1 0 220.316 1.741 10 0 BDAERO C[NH2+]C[C@H]1CN(c2ccc(C)cc2C)C(=O)O1 ZINC000077369117 173382554 /nfs/dbraw/zinc/38/25/54/173382554.db2.gz QKRUAXGQLAVLRP-NSHDSACASA-N 1 0 234.299 1.848 10 0 BDAERO C[NH2+]C[C@H]1CN(CCCc2ccccc2)CCO1 ZINC000071563503 173382778 /nfs/dbraw/zinc/38/27/78/173382778.db2.gz QSYLRYJSYGROHN-HNNXBMFYSA-N 1 0 248.370 1.539 10 0 BDAERO C[NH2+]C[C@H]1NCCc2cccc(Cl)c21 ZINC000083661326 173383254 /nfs/dbraw/zinc/38/32/54/173383254.db2.gz HXFCOPBHFQNWBE-SNVBAGLBSA-N 1 0 210.708 1.746 10 0 BDAERO C[NH2+]C[C@](C)(O)c1cc(F)cc(F)c1 ZINC000071508197 173383430 /nfs/dbraw/zinc/38/34/30/173383430.db2.gz UXMDPAXICRZCEW-JTQLQIEISA-N 1 0 201.216 1.392 10 0 BDAERO C[NH2+]Cc1c(C)nn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054599977 173384605 /nfs/dbraw/zinc/38/46/05/173384605.db2.gz DCFMGSBTXFLEIZ-OLZOCXBDSA-N 1 0 237.347 1.695 10 0 BDAERO C[NH2+]Cc1cc(CN2CCOCC2(C)C)on1 ZINC000052546113 173386726 /nfs/dbraw/zinc/38/67/26/173386726.db2.gz SPXOQDWYLNXJPY-UHFFFAOYSA-N 1 0 239.319 1.005 10 0 BDAERO C[NH2+]Cc1cc(Cn2cnc3ccccc32)on1 ZINC000052576361 173387183 /nfs/dbraw/zinc/38/71/83/173387183.db2.gz KBRUJJZWIUJCFH-UHFFFAOYSA-N 1 0 242.282 1.792 10 0 BDAERO C[NH2+]Cc1cc(N2CC[C@@H](C)C2)ccn1 ZINC000051448399 173387568 /nfs/dbraw/zinc/38/75/68/173387568.db2.gz GJETZRHJIYSAQP-SNVBAGLBSA-N 1 0 205.305 1.647 10 0 BDAERO C[NH2+]Cc1ccc(O[C@H]2CCC[C@H]2O)cc1 ZINC000037702049 173388967 /nfs/dbraw/zinc/38/89/67/173388967.db2.gz CNWNNNJHLUHNEX-OLZOCXBDSA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1cccc(OCCn2cc(C)cn2)c1 ZINC000052576897 173389441 /nfs/dbraw/zinc/38/94/41/173389441.db2.gz FCLPKCWGBXZUBV-UHFFFAOYSA-N 1 0 245.326 1.990 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCOC1=O ZINC000041054402 173390093 /nfs/dbraw/zinc/39/00/93/173390093.db2.gz QRIBOVSKXKVKLI-UHFFFAOYSA-N 1 0 206.245 1.363 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCCOCC1 ZINC000061920278 173390099 /nfs/dbraw/zinc/39/00/99/173390099.db2.gz SCQBGHLMIUPZSP-UHFFFAOYSA-N 1 0 220.316 1.633 10 0 BDAERO C[NH2+]Cc1cccnc1-n1cc(Cl)cn1 ZINC000051492471 173390209 /nfs/dbraw/zinc/39/02/09/173390209.db2.gz OHKBBWQCDPDDRH-UHFFFAOYSA-N 1 0 222.679 1.640 10 0 BDAERO C[NH2+]Cc1ccccc1OCc1nnc(C)n1C ZINC000035696584 173390265 /nfs/dbraw/zinc/39/02/65/173390265.db2.gz JXHURWCBXFEWBY-UHFFFAOYSA-N 1 0 246.314 1.422 10 0 BDAERO C[NH2+]Cc1cn(CCN(C)c2ccccc2)nn1 ZINC000052379834 173391813 /nfs/dbraw/zinc/39/18/13/173391813.db2.gz CSEWWBCDDHNHMQ-UHFFFAOYSA-N 1 0 245.330 1.134 10 0 BDAERO C[NH2+]Cc1cnc(Cc2cccc(F)c2)nc1 ZINC000054855451 173392125 /nfs/dbraw/zinc/39/21/25/173392125.db2.gz KBUQKHAHXAOJAZ-UHFFFAOYSA-N 1 0 231.274 1.926 10 0 BDAERO C[NH2+]Cc1cnc(Cc2cccnc2)nc1 ZINC000054855556 173392618 /nfs/dbraw/zinc/39/26/18/173392618.db2.gz BSGCGXLXCFGYQN-UHFFFAOYSA-N 1 0 214.272 1.182 10 0 BDAERO C[NH2+]Cc1cnc(Cc2ccccc2)nc1 ZINC000054855516 173392673 /nfs/dbraw/zinc/39/26/73/173392673.db2.gz BPTUBGBTJVJUEO-UHFFFAOYSA-N 1 0 213.284 1.787 10 0 BDAERO C[NH2+]Cc1cnn([C@@H]2CCCCC[C@H]2O)c1 ZINC000054600465 173393850 /nfs/dbraw/zinc/39/38/50/173393850.db2.gz QZZVZZVVJMMBLH-VXGBXAGGSA-N 1 0 223.320 1.469 10 0 BDAERO C[NH2+]Cc1coc(Cn2cc(Cl)cn2)c1 ZINC000052577225 173394060 /nfs/dbraw/zinc/39/40/60/173394060.db2.gz NQYZCKXAHPIEPJ-UHFFFAOYSA-N 1 0 225.679 1.897 10 0 BDAERO C[NH2+]Cc1nc(Cn2cc(C)cn2)cs1 ZINC000052577065 173394680 /nfs/dbraw/zinc/39/46/80/173394680.db2.gz YARUTAVFFSYCLJ-UHFFFAOYSA-N 1 0 222.317 1.416 10 0 BDAERO C[NH2+]Cc1nc(-n2ccc(C)n2)ccc1Cl ZINC000052885122 173395186 /nfs/dbraw/zinc/39/51/86/173395186.db2.gz WVPKXCQFKPMJSQ-UHFFFAOYSA-N 1 0 236.706 1.949 10 0 BDAERO C[NH2+]Cc1nc(-c2c(C)nn(C)c2C)cs1 ZINC000053294191 173395755 /nfs/dbraw/zinc/39/57/55/173395755.db2.gz VGOHWBOGUBAAPT-UHFFFAOYSA-N 1 0 236.344 1.880 10 0 BDAERO C[NH2+]Cc1nc2c(cccc2C(=O)OC)[nH]1 ZINC000089195187 173396454 /nfs/dbraw/zinc/39/64/54/173396454.db2.gz MRWSPWYAEACNBD-UHFFFAOYSA-N 1 0 219.244 1.069 10 0 BDAERO C[NH2+]Cc1nnc(-c2cc(F)ccc2F)o1 ZINC000050615361 173397474 /nfs/dbraw/zinc/39/74/74/173397474.db2.gz ZDEZGARMWSYZDL-UHFFFAOYSA-N 1 0 225.198 1.734 10 0 BDAERO C[NH2+]Cc1nccn1Cc1cn2ccccc2n1 ZINC000051004555 173397897 /nfs/dbraw/zinc/39/78/97/173397897.db2.gz GZESUMDKYBQCOS-UHFFFAOYSA-N 1 0 241.298 1.299 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(C)nc2C)o1 ZINC000055331752 173397916 /nfs/dbraw/zinc/39/79/16/173397916.db2.gz NKCOCWYUWAWPFN-UHFFFAOYSA-N 1 0 218.260 1.468 10 0 BDAERO C[NH2+]Cc1nc2cccnc2n1C(C)C ZINC000082532175 173397984 /nfs/dbraw/zinc/39/79/84/173397984.db2.gz NDODSXSZXSWWKX-UHFFFAOYSA-N 1 0 204.277 1.732 10 0 BDAERO C[NH2+][C@@H](C)Cn1cnc2ccccc2c1=O ZINC000043998511 173416716 /nfs/dbraw/zinc/41/67/16/173416716.db2.gz BXEDNOMQVGWGMQ-VIFPVBQESA-N 1 0 217.272 1.004 10 0 BDAERO C[NH2+][C@@H]1CCCc2nc(N(C)C)sc21 ZINC000054901298 173435137 /nfs/dbraw/zinc/43/51/37/173435137.db2.gz QMIPEPUJEAJNSV-SSDOTTSWSA-N 1 0 211.334 1.806 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000054071844 173443814 /nfs/dbraw/zinc/44/38/14/173443814.db2.gz NJGFZYYOXAOSAC-LLVKDONJSA-N 1 0 220.316 1.561 10 0 BDAERO C[NH2+][C@H]1CCCCCC[C@H]1n1cncn1 ZINC000043991899 173459556 /nfs/dbraw/zinc/45/95/56/173459556.db2.gz VSEHXQWEXKQQRJ-WDEREUQCSA-N 1 0 208.309 1.761 10 0 BDAERO C[NH2+][C@H]1CCCCCC[C@@H]1N1CCOCC1 ZINC000043807934 173460034 /nfs/dbraw/zinc/46/00/34/173460034.db2.gz CWJGPWZFHFTUSE-STQMWFEESA-N 1 0 226.364 1.629 10 0 BDAERO C[NH2+][C@H]1CCCC[C@H]1OCC1CCOCC1 ZINC000052150422 173460486 /nfs/dbraw/zinc/46/04/86/173460486.db2.gz LWECDDGIFWLQDS-QWHCGFSZSA-N 1 0 227.348 1.960 10 0 BDAERO C[NH2+][C@H]1CCCN(CC(=O)c2nccs2)C1 ZINC000095071496 173461106 /nfs/dbraw/zinc/46/11/06/173461106.db2.gz KKCUWHCZVCUAMW-VIFPVBQESA-N 1 0 239.344 1.010 10 0 BDAERO C[NH2+][C@H]1CCc2c(OC)ccc(OC)c2C1 ZINC000028243207 173468010 /nfs/dbraw/zinc/46/80/10/173468010.db2.gz GIPVFDIXAOJKFQ-VIFPVBQESA-N 1 0 221.300 1.781 10 0 BDAERO COC(=O)CC[C@@H]([NH3+])c1ccc2c(c1)C[C@@H](C)O2 ZINC000037636903 173567196 /nfs/dbraw/zinc/56/71/96/173567196.db2.gz SKQRAIDDWUYHBT-BXKDBHETSA-N 1 0 249.310 1.963 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000215985086 173818263 /nfs/dbraw/zinc/81/82/63/173818263.db2.gz SDXCPFFWVANAKU-QWHCGFSZSA-N 1 0 249.310 1.561 10 0 BDAERO COC1CC[NH+]([C@@H]([C@@H](C)N)C(C)(C)C)CC1 ZINC000043292256 174030252 /nfs/dbraw/zinc/03/02/52/174030252.db2.gz KRTKAFJQKQGWSA-PWSUYJOCSA-N 1 0 228.380 1.859 10 0 BDAERO COC1CCN(c2ncc(C[NH3+])s2)CC1 ZINC000054895418 174032366 /nfs/dbraw/zinc/03/23/66/174032366.db2.gz OIMMQYWHRPZOGL-UHFFFAOYSA-N 1 0 227.333 1.217 10 0 BDAERO COCCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000123532529 174136870 /nfs/dbraw/zinc/13/68/70/174136870.db2.gz KACMZHNXWJETBG-UHFFFAOYSA-N 1 0 234.299 1.307 10 0 BDAERO COCCCCN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121653505 174190874 /nfs/dbraw/zinc/19/08/74/174190874.db2.gz HRCLAXQLKIPPEK-LLVKDONJSA-N 1 0 238.335 1.758 10 0 BDAERO COCCCCNC(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000055138264 174197278 /nfs/dbraw/zinc/19/72/78/174197278.db2.gz SKZMLDKBCGIBEE-UTUOFQBUSA-N 1 0 242.363 1.293 10 0 BDAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000037264762 174244138 /nfs/dbraw/zinc/24/41/38/174244138.db2.gz MCGSFEUCPFYUAP-NEPJUHHUSA-N 1 0 244.379 1.552 10 0 BDAERO COCCC[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000104364031 174246730 /nfs/dbraw/zinc/24/67/30/174246730.db2.gz ODOLEEYNRKOQFL-UHFFFAOYSA-N 1 0 246.314 1.598 10 0 BDAERO COCCC[NH2+]CCOc1cc(F)cc(F)c1 ZINC000054935000 174247134 /nfs/dbraw/zinc/24/71/34/174247134.db2.gz LTTZBLHCMPHWRY-UHFFFAOYSA-N 1 0 245.269 1.970 10 0 BDAERO COCCC[C@@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309038901 174260995 /nfs/dbraw/zinc/26/09/95/174260995.db2.gz JWSCFUCEKHTVGX-KKOKHZNYSA-N 1 0 213.321 1.284 10 0 BDAERO COCCN(C(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000038075882 174267575 /nfs/dbraw/zinc/26/75/75/174267575.db2.gz JZRIENUYWICAHH-UHFFFAOYSA-N 1 0 240.347 1.014 10 0 BDAERO COCCN(C(=O)C[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000037814779 174268632 /nfs/dbraw/zinc/26/86/32/174268632.db2.gz KWZHWHBHLUEADM-JTQLQIEISA-N 1 0 240.347 1.012 10 0 BDAERO COCC[N@H+](C)CCn1cnc2cc(N)ccc21 ZINC000061380848 174278898 /nfs/dbraw/zinc/27/88/98/174278898.db2.gz XEKSRWYVPAYOEU-UHFFFAOYSA-N 1 0 248.330 1.197 10 0 BDAERO COCC[N@H+](C)CCNc1cccc(F)c1N ZINC000061378111 174279823 /nfs/dbraw/zinc/27/98/23/174279823.db2.gz LOCIERJRPZAAAS-UHFFFAOYSA-N 1 0 241.310 1.398 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000104249068 174282274 /nfs/dbraw/zinc/28/22/74/174282274.db2.gz ZJHIKTDZCCXAJJ-NSHDSACASA-N 1 0 244.285 1.543 10 0 BDAERO COCCN(CC(C)C)c1ccc(C[NH3+])cn1 ZINC000042367072 174288845 /nfs/dbraw/zinc/28/88/45/174288845.db2.gz ZGEYPANLJIQSLT-UHFFFAOYSA-N 1 0 237.347 1.649 10 0 BDAERO COCC[NH+](CCOC)C[C@@H]1CCCCC1=O ZINC000060720440 174295798 /nfs/dbraw/zinc/29/57/98/174295798.db2.gz HQGUHPUOJYIMLP-LBPRGKRZSA-N 1 0 243.347 1.341 10 0 BDAERO COCC[N@H+]([C@H](C)C1CC1)[C@@](C)(CN)C1CC1 ZINC000042615239 174302460 /nfs/dbraw/zinc/30/24/60/174302460.db2.gz VHZNSHBZTARLMH-RISCZKNCSA-N 1 0 240.391 1.861 10 0 BDAERO COCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178293567 174309051 /nfs/dbraw/zinc/30/90/51/174309051.db2.gz WCQRXZXNUQWHFR-LBPRGKRZSA-N 1 0 223.320 1.302 10 0 BDAERO COCCN1C[C@H](C(C)C)[NH2+]C[C@H]1C(C)C ZINC000062614018 174317889 /nfs/dbraw/zinc/31/78/89/174317889.db2.gz PBUIHJMEFJVYQR-OLZOCXBDSA-N 1 0 228.380 1.587 10 0 BDAERO COCC[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000053341622 174332073 /nfs/dbraw/zinc/33/20/73/174332073.db2.gz JJQDOJPYVJNTIZ-GFCCVEGCSA-N 1 0 234.343 1.674 10 0 BDAERO COCC[NH2+]CC1(c2ccccc2OC)CC1 ZINC000053738788 174332273 /nfs/dbraw/zinc/33/22/73/174332273.db2.gz IDMJHSXUYRMOGV-UHFFFAOYSA-N 1 0 235.327 1.963 10 0 BDAERO COCC[NH2+]CCc1nc2c(s1)CCCC2 ZINC000049830280 174333312 /nfs/dbraw/zinc/33/33/12/174333312.db2.gz BOTIQTAQOZCBEN-UHFFFAOYSA-N 1 0 240.372 1.800 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1ccc(Cl)s1 ZINC000049827913 174333333 /nfs/dbraw/zinc/33/33/33/174333333.db2.gz WSQXXOJLIPRESG-SSDOTTSWSA-N 1 0 235.736 1.671 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1cc(C)ccc1C ZINC000049819403 174333382 /nfs/dbraw/zinc/33/33/82/174333382.db2.gz QLUWNEGABKOFHD-CYBMUJFWSA-N 1 0 223.316 1.573 10 0 BDAERO COCC[NH2+]C[C@H]1CCCN1Cc1cccnc1 ZINC000053650396 174334525 /nfs/dbraw/zinc/33/45/25/174334525.db2.gz VRTBOUUSCBZOEK-CQSZACIVSA-N 1 0 249.358 1.282 10 0 BDAERO COCC[NH2+]C[C@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000100227023 174335034 /nfs/dbraw/zinc/33/50/34/174335034.db2.gz DGQXSWOOUKILCE-RWMBFGLXSA-N 1 0 245.363 1.179 10 0 BDAERO COCCOc1ccc([C@@H](O)[C@H](C)[NH3+])cc1 ZINC000071532275 174368659 /nfs/dbraw/zinc/36/86/59/174368659.db2.gz CGZUXVFRSYRCAC-CABZTGNLSA-N 1 0 225.288 1.092 10 0 BDAERO COCCOc1ccc([C@@H](O)[C@@H](C)[NH3+])cc1 ZINC000071532276 174368878 /nfs/dbraw/zinc/36/88/78/174368878.db2.gz CGZUXVFRSYRCAC-SKDRFNHKSA-N 1 0 225.288 1.092 10 0 BDAERO COCCOc1cccc(F)c1[C@@H](C)[NH3+] ZINC000019873406 174369343 /nfs/dbraw/zinc/36/93/43/174369343.db2.gz CRNVWUQVZCSVLU-MRVPVSSYSA-N 1 0 213.252 1.871 10 0 BDAERO COCCSCCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000336727363 174375011 /nfs/dbraw/zinc/37/50/11/174375011.db2.gz CPTRRLWITNXFMH-VXGBXAGGSA-N 1 0 247.404 1.913 10 0 BDAERO COCC[C@@H](C)[NH2+][C@H](C)Cc1cc(C)n[nH]1 ZINC000090528192 174385572 /nfs/dbraw/zinc/38/55/72/174385572.db2.gz GHRVWKDBSHQNEO-NXEZZACHSA-N 1 0 225.336 1.664 10 0 BDAERO COCC[C@@H]([NH3+])CN(Cc1ccco1)C1CC1 ZINC000052810958 174393357 /nfs/dbraw/zinc/39/33/57/174393357.db2.gz UNAHVUORNCAXKX-LLVKDONJSA-N 1 0 238.331 1.608 10 0 BDAERO COC[C@@H](C)N(C)c1ccc(C(N)=[NH2+])cc1F ZINC000042518423 174448814 /nfs/dbraw/zinc/44/88/14/174448814.db2.gz IJFVFICBZJOXKA-MRVPVSSYSA-N 1 0 239.294 1.581 10 0 BDAERO COC[C@@](C)([NH3+])Cc1cccc(F)c1F ZINC000053762106 174521667 /nfs/dbraw/zinc/52/16/67/174521667.db2.gz XNNLCDAMWZVFMV-NSHDSACASA-N 1 0 215.243 1.871 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000367548141 174845611 /nfs/dbraw/zinc/84/56/11/174845611.db2.gz AEQZZNDKXKOCBB-KKZNHRDASA-N 1 0 238.335 1.434 10 0 BDAERO CO[C@H]1CCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292632 174882557 /nfs/dbraw/zinc/88/25/57/174882557.db2.gz WWOLBANGOUKHFD-SRVKXCTJSA-N 1 0 240.347 1.060 10 0 BDAERO COc1cc(/C=C/C[NH3+])cc(OC)c1OC ZINC000069049787 174940277 /nfs/dbraw/zinc/94/02/77/174940277.db2.gz VIGFQENHJVVNEW-SNAWJCMRSA-N 1 0 223.272 1.684 10 0 BDAERO COc1cc(OC)cc(OC2C[NH2+]C2)c1 ZINC000059491173 175010505 /nfs/dbraw/zinc/01/05/05/175010505.db2.gz HDRRVIGQAIRECW-UHFFFAOYSA-N 1 0 209.245 1.054 10 0 BDAERO COc1cc([C@@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000019785228 175015206 /nfs/dbraw/zinc/01/52/06/175015206.db2.gz OCFDOAHVIHRKEV-SECBINFHSA-N 1 0 237.299 1.789 10 0 BDAERO COc1cc([C@H](O)[C@H](C)[NH3+])cc(OC)c1OC ZINC000020216923 175016546 /nfs/dbraw/zinc/01/65/46/175016546.db2.gz AEZRTWHPXIHEJO-WRWORJQWSA-N 1 0 241.287 1.093 10 0 BDAERO COc1cc([C@H]2C[C@H]2C[NH3+])cc(OC)c1OC ZINC000041278441 175017284 /nfs/dbraw/zinc/01/72/84/175017284.db2.gz RFXRFWPUFLQXRQ-VHSXEESVSA-N 1 0 237.299 1.775 10 0 BDAERO COc1cc2c(c(OC)c1)CC[N@H+](C)C2 ZINC000033835510 175019526 /nfs/dbraw/zinc/01/95/26/175019526.db2.gz JETSDVLQDVDSGQ-UHFFFAOYSA-N 1 0 207.273 1.692 10 0 BDAERO COc1cc2c(c(OC)c1)[C@@H](C)[NH2+]CC2 ZINC000052095391 175020518 /nfs/dbraw/zinc/02/05/18/175020518.db2.gz CFLFVRDTBKUFGC-MRVPVSSYSA-N 1 0 207.273 1.911 10 0 BDAERO COc1cc2c(c(OC)c1)[C@@H](C)C[NH2+]C2 ZINC000057494572 175020780 /nfs/dbraw/zinc/02/07/80/175020780.db2.gz FXAVALMSFPNGFV-QMMMGPOBSA-N 1 0 207.273 1.911 10 0 BDAERO COc1ccc(-c2ccc(NN)[nH+]n2)c(OC)c1 ZINC000050194191 175034621 /nfs/dbraw/zinc/03/46/21/175034621.db2.gz SLGKAOXOGRNKSH-UHFFFAOYSA-N 1 0 246.270 1.446 10 0 BDAERO COc1ccc(-c2cnc(CC[NH3+])o2)c(OC)c1 ZINC000036171824 175036285 /nfs/dbraw/zinc/03/62/85/175036285.db2.gz PBFJMZNHAFYXQF-UHFFFAOYSA-N 1 0 248.282 1.860 10 0 BDAERO CO[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1(C)C ZINC000225812988 487629832 /nfs/dbraw/zinc/62/98/32/487629832.db2.gz TXSAEYVHQQOYLS-GMTAPVOTSA-N 1 0 242.363 1.290 10 0 BDAERO COc1ccc(C(C)C)cc1[C@@H](N)C[NH3+] ZINC000044472858 175069525 /nfs/dbraw/zinc/06/95/25/175069525.db2.gz LCDJSMQXWVALGC-NSHDSACASA-N 1 0 208.305 1.777 10 0 BDAERO COc1ccc(C)c2ccc(C(N)=[NH2+])nc12 ZINC000067173637 175071493 /nfs/dbraw/zinc/07/14/93/175071493.db2.gz OXRDEIQETGVJTC-UHFFFAOYSA-N 1 0 215.256 1.836 10 0 BDAERO COc1ccc(C)c2c1SC[C@H]([NH3+])C2 ZINC000082949984 175071711 /nfs/dbraw/zinc/07/17/11/175071711.db2.gz RMPBYIDEBUEHLF-MRVPVSSYSA-N 1 0 209.314 1.979 10 0 BDAERO COc1ccc(C)cc1C(=O)CN1CC[NH2+]CC1 ZINC000019673221 175073332 /nfs/dbraw/zinc/07/33/32/175073332.db2.gz LAXODSCFGUVXMT-UHFFFAOYSA-N 1 0 248.326 1.092 10 0 BDAERO COc1ccc(C)cc1C(CC[NH3+])(OC)OC ZINC000057529822 175073669 /nfs/dbraw/zinc/07/36/69/175073669.db2.gz FMMSRNQGVCUHFW-UHFFFAOYSA-N 1 0 239.315 1.798 10 0 BDAERO COc1ccc(C)cc1C1([NH3+])CCOCC1 ZINC000036906438 175073787 /nfs/dbraw/zinc/07/37/87/175073787.db2.gz OKQGZQNLLBHEEH-UHFFFAOYSA-N 1 0 221.300 1.968 10 0 BDAERO COc1ccc(C)cc1CCN(C)CC[NH3+] ZINC000077334588 175073842 /nfs/dbraw/zinc/07/38/42/175073842.db2.gz ZGTOQHGOLIAIAN-UHFFFAOYSA-N 1 0 222.332 1.437 10 0 BDAERO COc1ccc(C)cc1CC(=O)[C@H]1CCC[NH2+]1 ZINC000041260761 175074019 /nfs/dbraw/zinc/07/40/19/175074019.db2.gz ZGMDZFHJQHZWOH-GFCCVEGCSA-N 1 0 233.311 1.867 10 0 BDAERO COc1ccc(C)cc1[C@@H]([NH3+])[C@@H]1COCCO1 ZINC000055300866 175080319 /nfs/dbraw/zinc/08/03/19/175080319.db2.gz CYJXJMGKTXDINX-QWHCGFSZSA-N 1 0 237.299 1.419 10 0 BDAERO COc1ccc(C)cc1[C@@](C)([NH3+])CCO ZINC000082533265 175081082 /nfs/dbraw/zinc/08/10/82/175081082.db2.gz CXYGZJHIAJYNIO-LBPRGKRZSA-N 1 0 209.289 1.560 10 0 BDAERO COc1ccc(C)cc1[C@H](O)[C@H]1CCC[NH2+]1 ZINC000032013949 175081979 /nfs/dbraw/zinc/08/19/79/175081979.db2.gz ACRXLYJEYFNBLV-YPMHNXCESA-N 1 0 221.300 1.789 10 0 BDAERO COc1ccc(CCN(C)CC[NH3+])c(C)c1C ZINC000077373197 175089243 /nfs/dbraw/zinc/08/92/43/175089243.db2.gz GSTXLOVFOFBSFU-UHFFFAOYSA-N 1 0 236.359 1.745 10 0 BDAERO COc1ccc(CC[NH3+])c(Br)c1 ZINC000059228980 175090657 /nfs/dbraw/zinc/09/06/57/175090657.db2.gz XYUWLBQYWHAXOP-UHFFFAOYSA-N 1 0 230.105 1.959 10 0 BDAERO COc1ccc(C[NH3+])cc1OC[C@@H]1CCCO1 ZINC000034957158 175096694 /nfs/dbraw/zinc/09/66/94/175096694.db2.gz UFMSWGMHZZGRTI-NSHDSACASA-N 1 0 237.299 1.712 10 0 BDAERO COc1ccc(CNC2=[NH+][C@H](C)CS2)cn1 ZINC000062057127 175105336 /nfs/dbraw/zinc/10/53/36/175105336.db2.gz KYPQSGMCQDBTJB-MRVPVSSYSA-N 1 0 237.328 1.671 10 0 BDAERO COc1ccc(C[NH2+]CCO)c(OC)c1C ZINC000098124986 175106861 /nfs/dbraw/zinc/10/68/61/175106861.db2.gz LYELDIGHMIKBPN-UHFFFAOYSA-N 1 0 225.288 1.094 10 0 BDAERO COc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050393862 175110544 /nfs/dbraw/zinc/11/05/44/175110544.db2.gz KGTVEAXJADBQCV-GFCCVEGCSA-N 1 0 234.299 1.063 10 0 BDAERO COc1ccc(COC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000040953986 175113196 /nfs/dbraw/zinc/11/31/96/175113196.db2.gz OJLJBRJHFXXVCQ-GFCCVEGCSA-N 1 0 249.310 1.738 10 0 BDAERO COc1ccc(COC(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000104222035 175113477 /nfs/dbraw/zinc/11/34/77/175113477.db2.gz VGTNJEFGZREDNQ-GXFFZTMASA-N 1 0 249.310 1.594 10 0 BDAERO COc1ccc(Cl)c([C@H]([NH3+])CO)c1 ZINC000072197909 175118887 /nfs/dbraw/zinc/11/88/87/175118887.db2.gz UBUDBAHCBYOKOS-SECBINFHSA-N 1 0 201.653 1.341 10 0 BDAERO COc1ccc(Cl)cc1C1(C[NH3+])OCCO1 ZINC000049831550 175120451 /nfs/dbraw/zinc/12/04/51/175120451.db2.gz IRIUGSGIDBSXQZ-UHFFFAOYSA-N 1 0 243.690 1.507 10 0 BDAERO COc1ccc(Cl)cc1N1CC[C@H]([NH3+])C1=O ZINC000049648381 175121049 /nfs/dbraw/zinc/12/10/49/175121049.db2.gz CLFOZMZKAGCYQI-QMMMGPOBSA-N 1 0 240.690 1.413 10 0 BDAERO COc1ccc(Cl)cc1C[C@H](O)C[NH3+] ZINC000041228669 175121292 /nfs/dbraw/zinc/12/12/92/175121292.db2.gz LIZODXDBDZFHQI-VIFPVBQESA-N 1 0 215.680 1.211 10 0 BDAERO COc1ccc(Cl)cc1[C@@](C)([NH3+])CO ZINC000077307804 175121730 /nfs/dbraw/zinc/12/17/30/175121730.db2.gz LBDLDNJPYFFHEV-JTQLQIEISA-N 1 0 215.680 1.515 10 0 BDAERO COc1ccc(F)cc1CN(CC[NH3+])C1CC1 ZINC000076620648 175128738 /nfs/dbraw/zinc/12/87/38/175128738.db2.gz QBPDTHCTRLGJFA-UHFFFAOYSA-N 1 0 238.306 1.757 10 0 BDAERO COc1ccc(N2C[C@H]([NH3+])CC2=O)c(C)c1 ZINC000061568819 175140089 /nfs/dbraw/zinc/14/00/89/175140089.db2.gz UJLQPNGKNBEKSL-SECBINFHSA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1C ZINC000049531951 175145660 /nfs/dbraw/zinc/14/56/60/175145660.db2.gz YEUSBVSCMFVDNT-LBPRGKRZSA-N 1 0 236.315 1.925 10 0 BDAERO COc1ccc(NC2=[NH+]CCN2)cc1OC ZINC000005141286 175149373 /nfs/dbraw/zinc/14/93/73/175149373.db2.gz MUYUHPQYZOPDQA-UHFFFAOYSA-N 1 0 221.260 1.075 10 0 BDAERO COc1ccc(NC2CC[NH2+]CC2)cc1F ZINC000038040841 175149791 /nfs/dbraw/zinc/14/97/91/175149791.db2.gz VVBHNZRYXUQNQC-UHFFFAOYSA-N 1 0 224.279 1.998 10 0 BDAERO COc1ccc(NCC[NH+](C)C)cc1OC ZINC000020045744 175150246 /nfs/dbraw/zinc/15/02/46/175150246.db2.gz CCUAPNIJWWRKKQ-UHFFFAOYSA-N 1 0 224.304 1.677 10 0 BDAERO COc1ccc(OC)c(C[C@@H]2CCC[NH2+]2)c1 ZINC000011630865 175166183 /nfs/dbraw/zinc/16/61/83/175166183.db2.gz VXPWOIZBDLKKEV-NSHDSACASA-N 1 0 221.300 1.998 10 0 BDAERO COc1ccc(OC)c([C@@H]([NH3+])CCO)c1 ZINC000019784058 175168045 /nfs/dbraw/zinc/16/80/45/175168045.db2.gz XVKIIVVSHNAOAI-JTQLQIEISA-N 1 0 211.261 1.086 10 0 BDAERO COc1ccc(OC)c([C@@H]2C[NH2+]C[C@@H](C)O2)c1 ZINC000033466019 175168089 /nfs/dbraw/zinc/16/80/89/175168089.db2.gz XMFRDGPHYIGFIM-RNCFNFMXSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc(OC)c([C@@H]2C[NH2+][C@H](C)CO2)c1 ZINC000033466009 175168299 /nfs/dbraw/zinc/16/82/99/175168299.db2.gz UPYHMHWXHIDIRU-RNCFNFMXSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc(OCCC[NH3+])c(OC)c1 ZINC000107284520 175172606 /nfs/dbraw/zinc/17/26/06/175172606.db2.gz JEXXFEHJEPSDDR-UHFFFAOYSA-N 1 0 211.261 1.431 10 0 BDAERO COc1ccc([C@@H](C[NH3+])N(C)C2CC2)cc1F ZINC000077383937 175178393 /nfs/dbraw/zinc/17/83/93/175178393.db2.gz WCGHQVOIFDPXNR-GFCCVEGCSA-N 1 0 238.306 1.928 10 0 BDAERO COc1ccc([C@@H]([NH3+])CCO)c(OC)c1OC ZINC000044198000 175179776 /nfs/dbraw/zinc/17/97/76/175179776.db2.gz VZVDLYRZPPGULX-VIFPVBQESA-N 1 0 241.287 1.095 10 0 BDAERO COc1ccc([C@@H](O)CC[NH3+])c(OC)c1 ZINC000036158771 175180836 /nfs/dbraw/zinc/18/08/36/175180836.db2.gz AFPFWXCRBUXPNG-JTQLQIEISA-N 1 0 211.261 1.086 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)cc1F ZINC000071533166 175181255 /nfs/dbraw/zinc/18/12/55/175181255.db2.gz PEUFJBHIOCDXLQ-NWDGAFQWSA-N 1 0 227.279 1.851 10 0 BDAERO COc1ccc([C@@H]2CN(C3CC3)CC[NH2+]2)cc1 ZINC000056894871 175183574 /nfs/dbraw/zinc/18/35/74/175183574.db2.gz NQLUUAWZZBECID-AWEZNQCLSA-N 1 0 232.327 1.804 10 0 BDAERO COc1ccc([C@H]([NH3+])Cn2cccn2)cc1 ZINC000011849931 175191635 /nfs/dbraw/zinc/19/16/35/175191635.db2.gz WKAWMSTVIGGPPE-GFCCVEGCSA-N 1 0 217.272 1.592 10 0 BDAERO COc1ccc([C@H]2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC000095933256 175194666 /nfs/dbraw/zinc/19/46/66/175194666.db2.gz JSBAFOFGMZILQA-TZMCWYRMSA-N 1 0 235.327 1.723 10 0 BDAERO COc1ccc([C@H]2C[C@H]2[NH3+])c(OC)c1OC ZINC000037381597 175198147 /nfs/dbraw/zinc/19/81/47/175198147.db2.gz APGMXKAKJSUGRK-RKDXNWHRSA-N 1 0 223.272 1.527 10 0 BDAERO COc1ccc([C@H]2OC[C@H](C[NH3+])O2)c(OC)c1 ZINC000049829560 175198711 /nfs/dbraw/zinc/19/87/11/175198711.db2.gz ASRLYLSQFUDLJL-CABZTGNLSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc([C@H]2[C@@H]([NH3+])CCCN2C)cc1F ZINC000076684476 175199325 /nfs/dbraw/zinc/19/93/25/175199325.db2.gz HNAPQKHGPOCONY-AAEUAGOBSA-N 1 0 238.306 1.928 10 0 BDAERO COc1ccc([C@](C)(O)C[NH3+])c(Cl)c1 ZINC000071519512 175199729 /nfs/dbraw/zinc/19/97/29/175199729.db2.gz RKAYDKBSDQKJEX-SNVBAGLBSA-N 1 0 215.680 1.515 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])CCC[S@]2=O ZINC000040975676 175216565 /nfs/dbraw/zinc/21/65/65/175216565.db2.gz OUTQMAMLJAGKMH-BMIGLBTASA-N 1 0 225.313 1.596 10 0 BDAERO COc1ccc2c(c1)nc(C(C)(C)[NH3+])n2C ZINC000076013682 175218554 /nfs/dbraw/zinc/21/85/54/175218554.db2.gz RXOHFYGEMLMBER-UHFFFAOYSA-N 1 0 219.288 1.776 10 0 BDAERO COc1ccc2c(cc3n2CC[NH2+]C3)c1 ZINC000005393942 175218703 /nfs/dbraw/zinc/21/87/03/175218703.db2.gz OCHMVUBCWNSWJE-UHFFFAOYSA-N 1 0 202.257 1.753 10 0 BDAERO COc1ccc2c3c1C[C@H]([NH3+])C[C@@H]3CO2 ZINC000026250501 175223448 /nfs/dbraw/zinc/22/34/48/175223448.db2.gz BEATWHLLAZJREQ-HTQZYQBOSA-N 1 0 205.257 1.445 10 0 BDAERO COc1ccc2cc3n(c2c1)CC[NH2+]C3 ZINC000013586844 175225677 /nfs/dbraw/zinc/22/56/77/175225677.db2.gz TXOXRFRYYDBUAR-UHFFFAOYSA-N 1 0 202.257 1.753 10 0 BDAERO COc1cccc(CCN2CC[NH2+][C@@H](C)C2)c1 ZINC000071544665 175251628 /nfs/dbraw/zinc/25/16/28/175251628.db2.gz XXXNYIDXWBYKOU-LBPRGKRZSA-N 1 0 234.343 1.531 10 0 BDAERO COc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1 ZINC000089169469 175264915 /nfs/dbraw/zinc/26/49/15/175264915.db2.gz NXCROAIRWVOLJT-JQWIXIFHSA-N 1 0 236.315 1.341 10 0 BDAERO COc1cccc(C[C@@H]2COCC[C@@H]2[NH3+])c1 ZINC000082364302 175271343 /nfs/dbraw/zinc/27/13/43/175271343.db2.gz FMKAPMRWZGQWES-YPMHNXCESA-N 1 0 221.300 1.602 10 0 BDAERO COc1cccc(N(C)C[C@H]2CC[NH2+]C2)c1 ZINC000051890127 175275007 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/nfs/dbraw/zinc/29/43/09/175294309.db2.gz UFRLRHOFHJGFEB-SSDOTTSWSA-N 1 0 201.653 1.341 10 0 BDAERO COc1cccc([C@H](O)C[C@H]2CC[NH2+]C2)c1 ZINC000134128024 175295168 /nfs/dbraw/zinc/29/51/68/175295168.db2.gz MQVNHHXGWCBFIB-ZWNOBZJWSA-N 1 0 221.300 1.728 10 0 BDAERO COc1cccc2c1C[C@@]1(C[NH+]=CN1)CC2 ZINC000013743727 175303375 /nfs/dbraw/zinc/30/33/75/175303375.db2.gz ZZZDJNQQTGBTNX-CYBMUJFWSA-N 1 0 216.284 1.554 10 0 BDAERO COc1cccc2ncn(C3CC[NH2+]CC3)c21 ZINC000215834327 175308583 /nfs/dbraw/zinc/30/85/83/175308583.db2.gz CKDYNTWFINVZJD-UHFFFAOYSA-N 1 0 231.299 1.969 10 0 BDAERO COc1ccccc1-c1cc2n(n1)CC[NH2+]C2 ZINC000084507811 175308983 /nfs/dbraw/zinc/30/89/83/175308983.db2.gz RCGJYWHIENWWKO-UHFFFAOYSA-N 1 0 229.283 1.662 10 0 BDAERO COc1ccccc1C(=O)[C@@H]1CCC[NH2+]1 ZINC000041213530 175319169 /nfs/dbraw/zinc/31/91/69/175319169.db2.gz HJLDZSQEPAWLEX-JTQLQIEISA-N 1 0 205.257 1.630 10 0 BDAERO COc1ccccc1CC(=O)C1CC[NH2+]CC1 ZINC000041260721 175320401 /nfs/dbraw/zinc/32/04/01/175320401.db2.gz LDTDIGWHRQCWCJ-UHFFFAOYSA-N 1 0 233.311 1.806 10 0 BDAERO COc1ccccc1CCN1CC[NH2+]C[C@H]1C ZINC000041264310 175322543 /nfs/dbraw/zinc/32/25/43/175322543.db2.gz SFDSTBTWERYAKN-GFCCVEGCSA-N 1 0 234.343 1.531 10 0 BDAERO COc1ccccc1C[C@]1(C[NH3+])CCOC1 ZINC000054637750 175334258 /nfs/dbraw/zinc/33/42/58/175334258.db2.gz OXZAFTHHHSXNHY-ZDUSSCGKSA-N 1 0 221.300 1.603 10 0 BDAERO COc1ccccc1Nc1nc[nH+]c(NN)c1N ZINC000040781525 175339795 /nfs/dbraw/zinc/33/97/95/175339795.db2.gz GHMNDCFEUPTOTA-UHFFFAOYSA-N 1 0 246.274 1.097 10 0 BDAERO COc1ccccc1OCc1noc(CC[NH3+])n1 ZINC000019786266 175341988 /nfs/dbraw/zinc/34/19/88/175341988.db2.gz ZQKLGSQFNRBWLH-UHFFFAOYSA-N 1 0 249.270 1.158 10 0 BDAERO COc1ccccc1[C@@H](C)N(C)C(=O)[C@H](C)[NH3+] ZINC000037808306 175344655 /nfs/dbraw/zinc/34/46/55/175344655.db2.gz XSYXJHUDBKVNOD-VHSXEESVSA-N 1 0 236.315 1.562 10 0 BDAERO COc1ccccc1[C@@H]([NH2+]C(C)C)C(N)=O ZINC000037869373 175347261 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/nfs/dbraw/zinc/43/85/05/175438505.db2.gz OYAAEDKXNSKBDC-LLVKDONJSA-N 1 0 225.313 1.515 10 0 BDAERO CSCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186489543 175465322 /nfs/dbraw/zinc/46/53/22/175465322.db2.gz GDMSERPFIHZDAD-SNVBAGLBSA-N 1 0 242.388 1.483 10 0 BDAERO C[C@@H](C[NH3+])Nc1nncc2ccccc21 ZINC000082576124 175712180 /nfs/dbraw/zinc/71/21/80/175712180.db2.gz PQXCUXRJBRMYFG-QMMMGPOBSA-N 1 0 202.261 1.389 10 0 BDAERO C[C@@H]([NH3+])CN1C(=O)CC2(CCCCC2)CC1=O ZINC000104204639 175806000 /nfs/dbraw/zinc/80/60/00/175806000.db2.gz AHUPLGWDSPINQC-SNVBAGLBSA-N 1 0 238.331 1.433 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)n1cc(Cl)cn1 ZINC000043341452 175810629 /nfs/dbraw/zinc/81/06/29/175810629.db2.gz FSYDHWVENCLPDD-KCJUWKMLSA-N 1 0 236.706 1.868 10 0 BDAERO C[C@@H](NCC[NH3+])c1c(F)cccc1F ZINC000037712373 175878432 /nfs/dbraw/zinc/87/84/32/175878432.db2.gz KFEWWSDOQTZRAR-SSDOTTSWSA-N 1 0 200.232 1.574 10 0 BDAERO C[C@@H](c1ccc(N)cc1)[NH+]1CCN(C)CC1 ZINC000019731166 176015809 /nfs/dbraw/zinc/01/58/09/176015809.db2.gz DXRYIPKRIYNJOX-NSHDSACASA-N 1 0 219.332 1.577 10 0 BDAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CC[C@H](O)C1 ZINC000061709761 176016122 /nfs/dbraw/zinc/01/61/22/176016122.db2.gz WSWLCZFDZABHRT-CABZTGNLSA-N 1 0 206.289 1.396 10 0 BDAERO C[C@@H](c1ccc[nH]1)N(C)C[C@@H]1CCC[NH2+]1 ZINC000095068210 176017139 /nfs/dbraw/zinc/01/71/39/176017139.db2.gz BPTKEJFOONKTIU-QWRGUYRKSA-N 1 0 207.321 1.760 10 0 BDAERO C[C@@H](c1ccccc1F)N(C)C(=O)C1C[NH2+]C1 ZINC000091410397 176024758 /nfs/dbraw/zinc/02/47/58/176024758.db2.gz VTHUDBJKESXEPQ-VIFPVBQESA-N 1 0 236.290 1.565 10 0 BDAERO C[C@@H](c1cccnc1)N1CCCC[C@@H]1C[NH3+] ZINC000044539555 176028844 /nfs/dbraw/zinc/02/88/44/176028844.db2.gz SHZOEVLQVCLPDW-WCQYABFASA-N 1 0 219.332 1.956 10 0 BDAERO C[C@@H](c1ccsc1)N1CC[C@H]([NH3+])C1=O ZINC000061363861 176034949 /nfs/dbraw/zinc/03/49/49/176034949.db2.gz PAEBFIGJZGRXKK-CBAPKCEASA-N 1 0 210.302 1.369 10 0 BDAERO C[C@@H]([NH3+])c1ccc(N2C(=O)C[C@@H](C)C2=O)cc1 ZINC000038051951 176049199 /nfs/dbraw/zinc/04/91/99/176049199.db2.gz UCBNLVVWDQTPJH-RKDXNWHRSA-N 1 0 232.283 1.606 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@]([NH2+]C2CC2)(C(N)=O)C1 ZINC000037870351 176052731 /nfs/dbraw/zinc/05/27/31/176052731.db2.gz VVRANXYRMGWSPZ-RNCFNFMXSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@]2(C1)[NH2+]CCNC2=O ZINC000051924721 176052767 /nfs/dbraw/zinc/05/27/67/176052767.db2.gz ASQLIFBGKYXWOL-SKDRFNHKSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000053924613 176060916 /nfs/dbraw/zinc/06/09/16/176060916.db2.gz JELPCSSXLCQPIV-AGIUHOORSA-N 1 0 239.359 1.696 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H](CN)[C@@H]1CCOC1 ZINC000042606829 176078411 /nfs/dbraw/zinc/07/84/11/176078411.db2.gz UGBOBJWYAZSABV-MQYQWHSLSA-N 1 0 240.391 1.861 10 0 BDAERO C[C@@H]1CCCC[C@@H]1Oc1ccc(C[NH3+])nn1 ZINC000051524801 176082309 /nfs/dbraw/zinc/08/23/09/176082309.db2.gz HVRSZRJVWKKAHA-KOLCDFICSA-N 1 0 221.304 1.893 10 0 BDAERO C[C@@H]1CCC[N@H+](CCCn2ccc(N)n2)CC1 ZINC000104364570 176098597 /nfs/dbraw/zinc/09/85/97/176098597.db2.gz SAXKEKAGHZTMNN-GFCCVEGCSA-N 1 0 236.363 1.977 10 0 BDAERO C[C@@H]1CCCN1C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050948103 176104786 /nfs/dbraw/zinc/10/47/86/176104786.db2.gz QNMRWIAIINLYGS-VXGBXAGGSA-N 1 0 224.348 1.920 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCC[C@@H]1CCCO1 ZINC000051794733 176111869 /nfs/dbraw/zinc/11/18/69/176111869.db2.gz RSOWELWIQSNYOR-WOPDTQHZSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NC1CCCCC1 ZINC000051791910 176111945 /nfs/dbraw/zinc/11/19/45/176111945.db2.gz HQZOHMISAPVVMJ-PWSUYJOCSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]1CCC[C@@H](CN2CCCCC2=O)[NH2+]1 ZINC000051575115 176117622 /nfs/dbraw/zinc/11/76/22/176117622.db2.gz ZVFNKZANMGZRQE-MNOVXSKESA-N 1 0 210.321 1.530 10 0 BDAERO C[C@@H]1CCC[C@@H](CNC(=O)C2CCCC2)[NH2+]1 ZINC000051572944 176118392 /nfs/dbraw/zinc/11/83/92/176118392.db2.gz IKKCLXPJEBDXQF-PWSUYJOCSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]1CCC[C@@](CO)(Nc2[nH+]ccn2C)C1 ZINC000053110766 176133624 /nfs/dbraw/zinc/13/36/24/176133624.db2.gz YBCZEORBOCBPPU-ZYHUDNBSSA-N 1 0 223.320 1.773 10 0 BDAERO C[C@@H]1CCC[C@@](C[NH3+])(NC(=O)c2cccnc2)C1 ZINC000104305055 176133943 /nfs/dbraw/zinc/13/39/43/176133943.db2.gz BKMKUERBKCNLNI-BXUZGUMPSA-N 1 0 247.342 1.719 10 0 BDAERO C[C@@H]1CCC[C@H](CNC(=O)C2CCC2)[NH2+]1 ZINC000051572933 176138411 /nfs/dbraw/zinc/13/84/11/176138411.db2.gz GYLZRKCUSSCZJD-MWLCHTKSSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@@H]1CCC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000336781985 176146671 /nfs/dbraw/zinc/14/66/71/176146671.db2.gz WIHKAGHHXMSORH-GHMZBOCLSA-N 1 0 226.364 1.927 10 0 BDAERO C[C@@H]1CCN(CCc2ccccc2)CC[NH2+]1 ZINC000049661494 176171285 /nfs/dbraw/zinc/17/12/85/176171285.db2.gz GUCLDWZNWJCGHV-CYBMUJFWSA-N 1 0 218.344 1.913 10 0 BDAERO C[C@@H]1CC[N@H+](CCCn2ccc(N)n2)[C@H](C)C1 ZINC000071352461 176171364 /nfs/dbraw/zinc/17/13/64/176171364.db2.gz YZULYVPNPBJXOO-VXGBXAGGSA-N 1 0 236.363 1.976 10 0 BDAERO C[C@@H]1CCN(Cc2csc(C[NH3+])n2)C1 ZINC000052484516 176177100 /nfs/dbraw/zinc/17/71/00/176177100.db2.gz WYZIUHYCSVJCPQ-MRVPVSSYSA-N 1 0 211.334 1.444 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)N(C)CC(C)(C)C)C[NH2+]1 ZINC000045089392 176194901 /nfs/dbraw/zinc/19/49/01/176194901.db2.gz SCFIRWVTICEHDV-GHMZBOCLSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCCO2)C[NH2+]1 ZINC000042824929 176195746 /nfs/dbraw/zinc/19/57/46/176195746.db2.gz BYUXWBMNIILZIJ-UTUOFQBUSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]1CC[C@@H](OCC2CCOCC2)C[NH2+]1 ZINC000052173265 176215043 /nfs/dbraw/zinc/21/50/43/176215043.db2.gz SVZQIXMIAPDAEU-ZYHUDNBSSA-N 1 0 213.321 1.570 10 0 BDAERO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cnn[nH]3)C2)C1 ZINC000336276485 176218850 /nfs/dbraw/zinc/21/88/50/176218850.db2.gz QTKOOSALCLKIEX-ZYHUDNBSSA-N 1 0 220.320 1.817 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NC2CCCCC2)C[NH2+]1 ZINC000019517862 176220548 /nfs/dbraw/zinc/22/05/48/176220548.db2.gz ZPCOBJRSNQGSGY-MNOVXSKESA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NCC(C)(C)C)C[NH2+]1 ZINC000040494897 176220669 /nfs/dbraw/zinc/22/06/69/176220669.db2.gz JTCIKTJXRLMTGA-ZJUUUORDSA-N 1 0 212.337 1.537 10 0 BDAERO C[C@@H]1CN(C(=O)C[NH3+])[C@H]1c1ccccc1 ZINC000237444877 176245879 /nfs/dbraw/zinc/24/58/79/176245879.db2.gz YNGLAZRDCOFKCH-BXKDBHETSA-N 1 0 204.273 1.165 10 0 BDAERO C[C@@H]1CN(C(=O)c2cccs2)C[C@H]1[NH+](C)C ZINC000089710020 176263100 /nfs/dbraw/zinc/26/31/00/176263100.db2.gz LOJQWPACPNXKGF-NXEZZACHSA-N 1 0 238.356 1.770 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CCC[NH2+]2)CC(C)(C)O1 ZINC000045693933 176297218 /nfs/dbraw/zinc/29/72/18/176297218.db2.gz UAJVDFCBGKUTSS-MNOVXSKESA-N 1 0 212.337 1.238 10 0 BDAERO C[C@@H]1CN(C[C@H]([NH3+])c2ccccc2)CCO1 ZINC000036879174 176298744 /nfs/dbraw/zinc/29/87/44/176298744.db2.gz UVDBNONSFPDSBK-YPMHNXCESA-N 1 0 220.316 1.407 10 0 BDAERO C[C@@H]1CN(C[C@H](O)c2ccccc2)C[C@@H]1[NH+](C)C ZINC000124744543 176299773 /nfs/dbraw/zinc/29/97/73/176299773.db2.gz RVUSLEONDNFOQH-SNPRPXQTSA-N 1 0 248.370 1.602 10 0 BDAERO C[C@@H]1CN(C[C@](C)([NH3+])C2CC2)CC(C)(C)O1 ZINC000041681534 176301911 /nfs/dbraw/zinc/30/19/11/176301911.db2.gz WTTGKJBFNLDORS-MFKMUULPSA-N 1 0 226.364 1.613 10 0 BDAERO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@@H]1[NH3+] ZINC000235401769 176304801 /nfs/dbraw/zinc/30/48/01/176304801.db2.gz OSAJEOOSHXPQJQ-ABAIWWIYSA-N 1 0 230.355 1.954 10 0 BDAERO C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H](C[NH3+])O1 ZINC000071548814 176305189 /nfs/dbraw/zinc/30/51/89/176305189.db2.gz UVBIFQJQZJIRPY-MFKMUULPSA-N 1 0 238.306 1.374 10 0 BDAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1COC1 ZINC000287832484 176305730 /nfs/dbraw/zinc/30/57/30/176305730.db2.gz VTJNDRVXOPLTID-DOMZBBRYSA-N 1 0 246.354 1.495 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccccn1)N1CCCO[C@H](C)C1 ZINC000061913359 176315683 /nfs/dbraw/zinc/31/56/83/176315683.db2.gz CSLHMUFOYKVIET-YRGRVCCFSA-N 1 0 249.358 1.581 10 0 BDAERO C[C@@H]1CN([C@@]2(C[NH3+])CCCC[C@H]2C)CCO1 ZINC000034679218 176316336 /nfs/dbraw/zinc/31/63/36/176316336.db2.gz 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ZINC000676234874 487825998 /nfs/dbraw/zinc/82/59/98/487825998.db2.gz RGVJBXYWKWNVSF-LLVKDONJSA-N 1 0 246.335 1.879 10 0 BDAERO CCC[C@H](C[NH2+][C@H]1CCC[C@H](O)C1)OC ZINC000386157949 487829137 /nfs/dbraw/zinc/82/91/37/487829137.db2.gz UDOZEOCKBVVTRN-SDDRHHMPSA-N 1 0 215.337 1.695 10 0 BDAERO CC(C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000252691826 487829553 /nfs/dbraw/zinc/82/95/53/487829553.db2.gz ZDLWLQUVUDCXJX-XQQFMLRXSA-N 1 0 238.375 1.866 10 0 BDAERO Fc1cccc2nc(N[C@@H]3CC[NH2+]C3)oc21 ZINC000212426905 487842109 /nfs/dbraw/zinc/84/21/09/487842109.db2.gz ZCJZBKURQGHBSY-SSDOTTSWSA-N 1 0 221.235 1.741 10 0 BDAERO CC(=O)c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089746972 487851831 /nfs/dbraw/zinc/85/18/31/487851831.db2.gz NUZKESRTZVEUMB-NSHDSACASA-N 1 0 246.310 1.827 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC1CCCC1 ZINC000128904525 487874674 /nfs/dbraw/zinc/87/46/74/487874674.db2.gz HDDSMMANHMSNAP-LLVKDONJSA-N 1 0 212.337 1.666 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1c(Cl)cncc1Cl ZINC000095638284 644759149 /nfs/dbraw/zinc/75/91/49/644759149.db2.gz UZJPARCJBAUCCQ-SSDOTTSWSA-N 1 0 249.097 1.951 10 0 BDAERO CC(C)C1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000227430471 487898754 /nfs/dbraw/zinc/89/87/54/487898754.db2.gz FYZYTFUVNCTJDU-NWDGAFQWSA-N 1 0 238.375 1.914 10 0 BDAERO C[NH2+][C@H](C)CNCc1nc2c(s1)CCCC2 ZINC000666896924 487899161 /nfs/dbraw/zinc/89/91/61/487899161.db2.gz TZZYVKGXBKVBTB-SECBINFHSA-N 1 0 239.388 1.719 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000668541928 487913615 /nfs/dbraw/zinc/91/36/15/487913615.db2.gz XCXMIPZDWAPPJF-UTLUCORTSA-N 1 0 213.325 1.164 10 0 BDAERO CCC[C@@H](C)NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000668541942 487913781 /nfs/dbraw/zinc/91/37/81/487913781.db2.gz XJOYNPSZQSPJJD-ZJUUUORDSA-N 1 0 213.325 1.084 10 0 BDAERO CC1CC(NC(=O)C2CCC([NH3+])CC2)C1 ZINC000157663980 487916658 /nfs/dbraw/zinc/91/66/58/487916658.db2.gz JMTJZOQRRDQPRI-UHFFFAOYSA-N 1 0 210.321 1.419 10 0 BDAERO CCC1(NC(=O)C[C@H]2CCC[NH2+]C2)CCC1 ZINC000229493201 487920496 /nfs/dbraw/zinc/92/04/96/487920496.db2.gz IYPOPMIXXZDDJQ-LLVKDONJSA-N 1 0 224.348 1.825 10 0 BDAERO CCC1(NC(=O)C[C@@H]([NH3+])C(C)C)CCC1 ZINC000229496258 487920503 /nfs/dbraw/zinc/92/05/03/487920503.db2.gz FHCHMWXWBIXJCA-SNVBAGLBSA-N 1 0 212.337 1.809 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NCCC2CC[NH2+]CC2)O1 ZINC000158045807 487936214 /nfs/dbraw/zinc/93/62/14/487936214.db2.gz LWBSILYTDNBDTD-ZYHUDNBSSA-N 1 0 240.347 1.060 10 0 BDAERO CCn1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000302288517 487954951 /nfs/dbraw/zinc/95/49/51/487954951.db2.gz KECUUSQOGSRHCD-VHSXEESVSA-N 1 0 236.319 1.217 10 0 BDAERO CN(CCc1ccccn1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000097092725 322984216 /nfs/dbraw/zinc/98/42/16/322984216.db2.gz PXSBMKIMJGKJEM-VXGBXAGGSA-N 1 0 247.342 1.210 10 0 BDAERO Fc1cc(F)cc(CNC[C@@H]2CC[NH2+]C2)c1 ZINC000398340107 323008079 /nfs/dbraw/zinc/00/80/79/323008079.db2.gz GHJDDZBKIKPUHO-SECBINFHSA-N 1 0 226.270 1.664 10 0 BDAERO CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000132565174 323015571 /nfs/dbraw/zinc/01/55/71/323015571.db2.gz IFMCWOBWZAEMTD-LLVKDONJSA-N 1 0 227.352 1.426 10 0 BDAERO COCC[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000228295170 323082171 /nfs/dbraw/zinc/08/21/71/323082171.db2.gz NSZDJLNJJSLDKS-RWMBFGLXSA-N 1 0 228.380 1.730 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000563350340 323119990 /nfs/dbraw/zinc/11/99/90/323119990.db2.gz WXKOSZDXQYYAKN-VXGBXAGGSA-N 1 0 236.363 1.776 10 0 BDAERO CC(C)n1ccnc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563350338 323120172 /nfs/dbraw/zinc/12/01/72/323120172.db2.gz WXKOSZDXQYYAKN-NWDGAFQWSA-N 1 0 236.363 1.776 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2cnc(C)n2C)c1 ZINC000563440827 323126019 /nfs/dbraw/zinc/12/60/19/323126019.db2.gz SMIGGPZQMGNTSV-UHFFFAOYSA-N 1 0 233.319 1.023 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCS[C@H](C(C)C)C1 ZINC000563819287 323179100 /nfs/dbraw/zinc/17/91/00/323179100.db2.gz GKGJYYXCDMUUTD-ZJUUUORDSA-N 1 0 230.377 1.194 10 0 BDAERO C[C@H](c1csnn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000398396796 323185522 /nfs/dbraw/zinc/18/55/22/323185522.db2.gz ZIQORGNEYQQFAY-ZJUUUORDSA-N 1 0 238.360 1.379 10 0 BDAERO C[C@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)C(C)(C)C ZINC000399110895 323197023 /nfs/dbraw/zinc/19/70/23/323197023.db2.gz BSZHDOZIRGATAS-BBBLOLIVSA-N 1 0 212.337 1.617 10 0 BDAERO CCOCCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000309039542 323197690 /nfs/dbraw/zinc/19/76/90/323197690.db2.gz KJXPCTUOYGXDEX-VXGBXAGGSA-N 1 0 215.337 1.696 10 0 BDAERO CCC[C@@H](C(=O)N(C)CCCOC)[NH+](C)C ZINC000161791774 323565708 /nfs/dbraw/zinc/56/57/08/323565708.db2.gz NVULIBUNMUWIHN-NSHDSACASA-N 1 0 230.352 1.212 10 0 BDAERO CC1(C)C[NH2+]Cc2cnn(-c3ccccn3)c2C1 ZINC000536948735 323950859 /nfs/dbraw/zinc/95/08/59/323950859.db2.gz MVLUHFKCZYUQKY-UHFFFAOYSA-N 1 0 242.326 1.939 10 0 BDAERO Cc1ncc2c(n1)[C@H]1CCCC[C@@H]1[NH2+]C2 ZINC000536952103 323958121 /nfs/dbraw/zinc/95/81/21/323958121.db2.gz GRQBIFADAKDGJT-QWRGUYRKSA-N 1 0 203.289 1.914 10 0 BDAERO CCn1nccc1[C@@H](C[NH3+])C1(CO)CCC1 ZINC000536953799 323961401 /nfs/dbraw/zinc/96/14/01/323961401.db2.gz JZTMYBQZUUNQCK-SNVBAGLBSA-N 1 0 223.320 1.108 10 0 BDAERO NNc1[nH+]c(C2CCC2)nc2[nH]ccc21 ZINC000536954267 323962363 /nfs/dbraw/zinc/96/23/63/323962363.db2.gz MDZVRWJPFLMNMI-UHFFFAOYSA-N 1 0 203.249 1.511 10 0 BDAERO CCN(C)[C@@H]1C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000536960839 323973992 /nfs/dbraw/zinc/97/39/92/323973992.db2.gz SYKGRDVEIMSTNI-QWRGUYRKSA-N 1 0 242.363 1.258 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000121363953 324012068 /nfs/dbraw/zinc/01/20/68/324012068.db2.gz LJIKXHQFXQLEJM-DDHJBXDOSA-N 1 0 212.337 1.236 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C)CN1C1CC1 ZINC000121603797 324019014 /nfs/dbraw/zinc/01/90/14/324019014.db2.gz OQGDWLYINSQFEX-HNCHTBHHSA-N 1 0 224.348 1.379 10 0 BDAERO CCC[C@H](C(=O)NCCCCCOC)[NH+](C)C ZINC000126061361 324677788 /nfs/dbraw/zinc/67/77/88/324677788.db2.gz UHHFXIFCEGBZRN-GFCCVEGCSA-N 1 0 244.379 1.650 10 0 BDAERO C[C@H]1C[NH+](CCOC(C)(C)C)C[C@H](C)O1 ZINC000067715299 324803617 /nfs/dbraw/zinc/80/36/17/324803617.db2.gz CEEQKHFZNKVVEO-QWRGUYRKSA-N 1 0 215.337 1.911 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)NC(C)(C)C)C1 ZINC000131000218 325106913 /nfs/dbraw/zinc/10/69/13/325106913.db2.gz ZCRBUZFAEIGTIT-SECBINFHSA-N 1 0 213.325 1.130 10 0 BDAERO CC[C@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000131579578 325167113 /nfs/dbraw/zinc/16/71/13/325167113.db2.gz ONUQAJCAOQNHEK-RYUDHWBXSA-N 1 0 229.364 1.894 10 0 BDAERO CSCCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000075766303 325310795 /nfs/dbraw/zinc/31/07/95/325310795.db2.gz VTSWTTYGMWYJQA-AOOOYVTPSA-N 1 0 203.351 1.849 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000076054987 325327624 /nfs/dbraw/zinc/32/76/24/325327624.db2.gz ZHNMPFCFVLCRSK-CABZTGNLSA-N 1 0 237.347 1.321 10 0 BDAERO C[C@@H]1C[C@@H](C)N(C(=O)C2CCC([NH3+])CC2)C1 ZINC000122159784 487968428 /nfs/dbraw/zinc/96/84/28/487968428.db2.gz CWDMLFQYEGRLIK-QYNFOATHSA-N 1 0 224.348 1.761 10 0 BDAERO C[C@@H](C[NH3+])Nc1ncccc1C(F)(F)F ZINC000082576395 325542958 /nfs/dbraw/zinc/54/29/58/325542958.db2.gz NIJDWRHIJTYOQM-LURJTMIESA-N 1 0 219.210 1.860 10 0 BDAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCNC1=O ZINC000050394908 487968701 /nfs/dbraw/zinc/96/87/01/487968701.db2.gz YZOXBKHSXWDOGI-CMPLNLGQSA-N 1 0 236.315 1.469 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CN(c2nccc3occc32)CCO1 ZINC000235476930 487969015 /nfs/dbraw/zinc/96/90/15/487969015.db2.gz HZAVOZABTKTIMT-CABZTGNLSA-N 1 0 247.298 1.380 10 0 BDAERO CC(=O)Nc1ccccc1C[NH2+]CC1CC(O)C1 ZINC000090975376 325682203 /nfs/dbraw/zinc/68/22/03/325682203.db2.gz CYOKWXJCIDTNHE-UHFFFAOYSA-N 1 0 248.326 1.506 10 0 BDAERO COC(=O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566666223 326072502 /nfs/dbraw/zinc/07/25/02/326072502.db2.gz ZGCRRJCWZLACGF-WDEREUQCSA-N 1 0 242.363 1.163 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)C1CC2(CCC2)C1 ZINC000567587099 326223526 /nfs/dbraw/zinc/22/35/26/326223526.db2.gz ZTZDEEMWQOWZOB-SECBINFHSA-N 1 0 210.321 1.420 10 0 BDAERO CCOc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)nc(C)n1 ZINC000310084764 487982461 /nfs/dbraw/zinc/98/24/61/487982461.db2.gz MPUZETOHYKWUQR-WCBMZHEXSA-N 1 0 236.319 1.110 10 0 BDAERO CC1(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000229902835 487986893 /nfs/dbraw/zinc/98/68/93/487986893.db2.gz KGKXMSLNCUJAFD-QWRGUYRKSA-N 1 0 240.347 1.047 10 0 BDAERO Nc1c(F)cccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250774946 488005372 /nfs/dbraw/zinc/00/53/72/488005372.db2.gz DFKCQLQHFBQPIW-LBPRGKRZSA-N 1 0 249.333 1.688 10 0 BDAERO COCc1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084305527 488042187 /nfs/dbraw/zinc/04/21/87/488042187.db2.gz UHAUOZIQYCRBGV-SFYZADRCSA-N 1 0 211.265 1.058 10 0 BDAERO COCc1noc([C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084305530 488042196 /nfs/dbraw/zinc/04/21/96/488042196.db2.gz UHAUOZIQYCRBGV-JGVFFNPUSA-N 1 0 211.265 1.058 10 0 BDAERO COCc1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084305533 488042381 /nfs/dbraw/zinc/04/23/81/488042381.db2.gz UHAUOZIQYCRBGV-YUMQZZPRSA-N 1 0 211.265 1.058 10 0 BDAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000084309202 488043094 /nfs/dbraw/zinc/04/30/94/488043094.db2.gz SAMYDHSUIGMNFH-CMPLNLGQSA-N 1 0 224.348 1.762 10 0 BDAERO CCCN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000084309234 488042895 /nfs/dbraw/zinc/04/28/95/488042895.db2.gz NEGYXWARFAAQJJ-PWSUYJOCSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1cnc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000084308876 488042953 /nfs/dbraw/zinc/04/29/53/488042953.db2.gz OWIKUSLGCCAONY-DTWKUNHWSA-N 1 0 239.344 1.765 10 0 BDAERO CC1(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000084310280 488044219 /nfs/dbraw/zinc/04/42/19/488044219.db2.gz UTCCGUYWSSANAI-MNOVXSKESA-N 1 0 224.348 1.810 10 0 BDAERO [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000401706478 488049015 /nfs/dbraw/zinc/04/90/15/488049015.db2.gz DVAAORKANXGDBS-ULAWRXDQSA-N 1 0 236.237 1.038 10 0 BDAERO CC1(CO)CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000401789759 488067935 /nfs/dbraw/zinc/06/79/35/488067935.db2.gz GNLQIUKSLVMIEX-QWHCGFSZSA-N 1 0 241.375 1.632 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)C1CCOCC1 ZINC000225812451 488080619 /nfs/dbraw/zinc/08/06/19/488080619.db2.gz DIZLJANMQFRYPT-PWSUYJOCSA-N 1 0 242.363 1.291 10 0 BDAERO Cc1ncc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000257713175 488083356 /nfs/dbraw/zinc/08/33/56/488083356.db2.gz SGBCLCIJRUVVKB-KOLCDFICSA-N 1 0 234.303 1.099 10 0 BDAERO Cc1cccc(Cn2cc(C(C)(C)[NH3+])nn2)n1 ZINC000092432444 488095054 /nfs/dbraw/zinc/09/50/54/488095054.db2.gz ZRROBURZHSARPV-UHFFFAOYSA-N 1 0 231.303 1.224 10 0 BDAERO CCO[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000136442482 488102554 /nfs/dbraw/zinc/10/25/54/488102554.db2.gz VRDCKBSGTUIPGW-NEPJUHHUSA-N 1 0 242.363 1.387 10 0 BDAERO C[C@H](NC(=O)C1CCC([NH3+])CC1)c1cn[nH]c1 ZINC000229704468 488102624 /nfs/dbraw/zinc/10/26/24/488102624.db2.gz SNYBIWGLSIBKRJ-SILCLGDVSA-N 1 0 236.319 1.104 10 0 BDAERO C[C@@H]([NH2+]CCn1ccccc1=O)[C@H]1CCCO1 ZINC000053500482 488103908 /nfs/dbraw/zinc/10/39/08/488103908.db2.gz IHKVVPNTJULSMW-VXGBXAGGSA-N 1 0 236.315 1.005 10 0 BDAERO CCn1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000300817706 487536763 /nfs/dbraw/zinc/53/67/63/487536763.db2.gz AFNNQJZSNGKIGB-SECBINFHSA-N 1 0 224.308 1.215 10 0 BDAERO CC1(O)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000309725689 488112348 /nfs/dbraw/zinc/11/23/48/488112348.db2.gz DBCOBIOZQXSZQD-VXGBXAGGSA-N 1 0 227.348 1.384 10 0 BDAERO Cc1ccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)o1 ZINC000085012697 488122616 /nfs/dbraw/zinc/12/26/16/488122616.db2.gz MYSCJZVFFDSGNA-ZJUUUORDSA-N 1 0 222.288 1.332 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000168855760 487547085 /nfs/dbraw/zinc/54/70/85/487547085.db2.gz XGCQYKUZICGOSI-MNOVXSKESA-N 1 0 208.305 1.292 10 0 BDAERO COC[C@H](C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000036720669 487554530 /nfs/dbraw/zinc/55/45/30/487554530.db2.gz CWFGRFGHJFLKIS-VIFPVBQESA-N 1 0 237.303 1.302 10 0 BDAERO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000231743143 487472322 /nfs/dbraw/zinc/47/23/22/487472322.db2.gz PGXKKSFEWLEJHC-APPZFPTMSA-N 1 0 225.292 1.016 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)C(C)(C)C[NH3+])o1 ZINC000231743319 487472363 /nfs/dbraw/zinc/47/23/63/487472363.db2.gz YHSBZPDYYVMERM-MRVPVSSYSA-N 1 0 225.292 1.145 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)o1 ZINC000231743812 487472611 /nfs/dbraw/zinc/47/26/11/487472611.db2.gz UGJPCBVDGXABOZ-DTWKUNHWSA-N 1 0 239.319 1.534 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)o1 ZINC000231742716 487472646 /nfs/dbraw/zinc/47/26/46/487472646.db2.gz JWLMEENQAGXQAE-ZJUUUORDSA-N 1 0 237.303 1.302 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1c(C)noc1C ZINC000086110056 487484090 /nfs/dbraw/zinc/48/40/90/487484090.db2.gz DVOFYKNWBRPYCC-HTRCEHHLSA-N 1 0 225.292 1.077 10 0 BDAERO CC(C)[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000323979243 487480530 /nfs/dbraw/zinc/48/05/30/487480530.db2.gz JPYYIQGKUMROJE-JLLWLGSASA-N 1 0 224.348 1.393 10 0 BDAERO CN1CCC[C@H]1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000086190144 487489266 /nfs/dbraw/zinc/48/92/66/487489266.db2.gz SVNCEQCYPQGQKK-AVGNSLFASA-N 1 0 226.364 1.173 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C1CC1 ZINC000324037549 487497614 /nfs/dbraw/zinc/49/76/14/487497614.db2.gz VRHUZOYNLZVGOK-QWRGUYRKSA-N 1 0 212.337 1.665 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000232015701 487498181 /nfs/dbraw/zinc/49/81/81/487498181.db2.gz PUWFMISVACVJLQ-MXWKQRLJSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@@H]([NH2+]Cc1ccnc2ccccc12)C(N)=O ZINC000111728556 487499369 /nfs/dbraw/zinc/49/93/69/487499369.db2.gz PJGKFLVFUUEFQO-SECBINFHSA-N 1 0 229.283 1.198 10 0 BDAERO COc1cccc(C[NH2+][C@@H]2C[C@H]2CO)c1F ZINC000381365438 487505541 /nfs/dbraw/zinc/50/55/41/487505541.db2.gz GSUDBZZEJPYDPK-VHSXEESVSA-N 1 0 225.263 1.305 10 0 BDAERO OC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCOCC1 ZINC000304574282 487511813 /nfs/dbraw/zinc/51/18/13/487511813.db2.gz NBPGVIAXKXCQBJ-TUAOUCFPSA-N 1 0 225.332 1.306 10 0 BDAERO CC(C)[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000324061149 487507055 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BDAERO COCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000308972934 491141621 /nfs/dbraw/zinc/14/16/21/491141621.db2.gz AKFCORZTHGOVLD-SDDRHHMPSA-N 1 0 215.337 1.695 10 0 BDAERO CCN1CCO[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224479447 491156197 /nfs/dbraw/zinc/15/61/97/491156197.db2.gz PFIIXOHVFIYNQU-NWDGAFQWSA-N 1 0 244.404 1.050 10 0 BDAERO C[C@@H](CO)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000083219306 491160638 /nfs/dbraw/zinc/16/06/38/491160638.db2.gz IHNLBYBLNSINRM-BXKDBHETSA-N 1 0 221.300 1.598 10 0 BDAERO C[C@H](F)CN1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757124984 582499984 /nfs/dbraw/zinc/49/99/84/582499984.db2.gz COTBLQBOZHRQSR-TUAOUCFPSA-N 1 0 214.328 1.951 10 0 BDAERO Cc1nc(C(=O)[C@H]2C[C@H]2C)sc1CC[NH3+] ZINC000757127022 582502229 /nfs/dbraw/zinc/50/22/29/582502229.db2.gz XGFLUBPGKMBKKT-SVRRBLITSA-N 1 0 224.329 1.791 10 0 BDAERO C[C@H](F)CN1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757134062 582510566 /nfs/dbraw/zinc/51/05/66/582510566.db2.gz WAMSSILPBQNZQR-QJPTWQEYSA-N 1 0 214.328 1.951 10 0 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CC(C)[C@H]1[NH2+][C@]2(CCOC2)OCC12CCC2 ZINC000757150543 582534876 /nfs/dbraw/zinc/53/48/76/582534876.db2.gz YKZDTLCAKVTTQQ-DGCLKSJQSA-N 1 0 225.332 1.918 10 0 BDAERO CC(C)C[NH+]1CCC2(C[NH2+]C[C@@H]2C(=O)[O-])CC1 ZINC000757184570 582554216 /nfs/dbraw/zinc/55/42/16/582554216.db2.gz LYYDUGLNDXIKGL-LLVKDONJSA-N 1 0 240.347 1.029 10 0 BDAERO Cn1cc([C@@H]2CCn3cc[nH+]c3N2)cn1 ZINC000236109047 582638938 /nfs/dbraw/zinc/63/89/38/582638938.db2.gz XLVXDIWFPXCVFN-VIFPVBQESA-N 1 0 203.249 1.174 10 0 BDAERO CC(=O)NCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000020148752 517359077 /nfs/dbraw/zinc/35/90/77/517359077.db2.gz OTNPKQFCDMUFHE-UWVGGRQHSA-N 1 0 212.337 1.537 10 0 BDAERO CC[C@H]1CO[C@H](C)CN1c1cc(C[NH2+]C)ccn1 ZINC000051518600 536171104 /nfs/dbraw/zinc/17/11/04/536171104.db2.gz QSIXRPSXWDXPST-YPMHNXCESA-N 1 0 249.358 1.805 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000221283730 518809845 /nfs/dbraw/zinc/80/98/45/518809845.db2.gz RLGNMPMMFZUMBZ-QWRGUYRKSA-N 1 0 240.347 1.995 10 0 BDAERO CC(C)(C)/C=C/C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185129541 534403382 /nfs/dbraw/zinc/40/33/82/534403382.db2.gz RNTSQPWFPHCTJC-IRFHGECPSA-N 1 0 236.359 1.784 10 0 BDAERO Cc1nnc(CC[C@H]2CCC[NH2+]C2)n1C ZINC000043586742 582803119 /nfs/dbraw/zinc/80/31/19/582803119.db2.gz HGVADSGCESENEM-SNVBAGLBSA-N 1 0 208.309 1.056 10 0 BDAERO [NH3+]CCc1cc2ccccc2c2c1C(=O)NC2=O ZINC000504134197 534653002 /nfs/dbraw/zinc/65/30/02/534653002.db2.gz SUXAWNNIEMAGJK-UHFFFAOYSA-N 1 0 240.262 1.225 10 0 BDAERO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H](C)[NH3+] ZINC000011919646 525613479 /nfs/dbraw/zinc/61/34/79/525613479.db2.gz NDKQSZVGDWFKGS-LHLIQPBNSA-N 1 0 237.255 1.263 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[NH2+]C[C@H]21 ZINC000253388135 534896403 /nfs/dbraw/zinc/89/64/03/534896403.db2.gz ZEPBJFKMOKRPMT-OPRDCNLKSA-N 1 0 226.320 1.509 10 0 BDAERO CC1(C)C[C@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261590916 534904208 /nfs/dbraw/zinc/90/42/08/534904208.db2.gz UVLJZAPTRILBDN-UWVGGRQHSA-N 1 0 224.348 1.618 10 0 BDAERO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(F)nc3)[C@H]2C1 ZINC000249789520 536465294 /nfs/dbraw/zinc/46/52/94/536465294.db2.gz DYESJJMGPDEDSN-OLZOCXBDSA-N 1 0 249.333 1.747 10 0 BDAERO C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000034823066 536468745 /nfs/dbraw/zinc/46/87/45/536468745.db2.gz NTRSSEVNAASAIZ-UHFFFAOYSA-N 1 0 240.734 1.896 10 0 BDAERO C[NH2+]Cc1cccnc1N1CCC(OC)CC1 ZINC000051442951 536470095 /nfs/dbraw/zinc/47/00/95/536470095.db2.gz LBIHWSTUWBDZAP-UHFFFAOYSA-N 1 0 235.331 1.416 10 0 BDAERO CC(C)C(C[NH2+][C@@H]1CCCNC1=O)C(C)C ZINC000303965204 527589254 /nfs/dbraw/zinc/58/92/54/527589254.db2.gz ROFHEQBKXMEGMU-GFCCVEGCSA-N 1 0 226.364 1.783 10 0 BDAERO CC(C)OCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401595381 527964109 /nfs/dbraw/zinc/96/41/09/527964109.db2.gz VCXQXTWEZNYRHO-QWRGUYRKSA-N 1 0 201.310 1.114 10 0 BDAERO CCCCOCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401894295 528590955 /nfs/dbraw/zinc/59/09/55/528590955.db2.gz IZLXZHLADHDRHL-VXGBXAGGSA-N 1 0 215.337 1.506 10 0 BDAERO CCSCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401971236 529180130 /nfs/dbraw/zinc/18/01/30/529180130.db2.gz ZUPQBFVRUWOWMR-ZJUUUORDSA-N 1 0 203.351 1.442 10 0 BDAERO CC[C@H](C[N@@H+]1C[C@@H](C)C[C@H](O)C1)OC ZINC000401799861 529336850 /nfs/dbraw/zinc/33/68/50/529336850.db2.gz KJNVSCXFWAWOGG-GARJFASQSA-N 1 0 201.310 1.114 10 0 BDAERO CC(C)(C)c1ccnc(N[C@@H]2CC[NH2+]C2)n1 ZINC000261554444 535134926 /nfs/dbraw/zinc/13/49/26/535134926.db2.gz UFCOZGFEJTWJMX-SECBINFHSA-N 1 0 220.320 1.548 10 0 BDAERO CC1(C)CN(C(=O)C[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000261551249 535335016 /nfs/dbraw/zinc/33/50/16/535335016.db2.gz LXRJTQMNGJUXED-GHMZBOCLSA-N 1 0 240.347 1.141 10 0 BDAERO CCCC[C@@H](CCC)NC(=O)C1C[NH2+]C1 ZINC000230051726 535352329 /nfs/dbraw/zinc/35/23/29/535352329.db2.gz USBSNQITDXJITC-LLVKDONJSA-N 1 0 212.337 1.681 10 0 BDAERO CCOC(=O)[C@@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346691 535425932 /nfs/dbraw/zinc/42/59/32/535425932.db2.gz ZOMRVMZDPRHWER-LLVKDONJSA-N 1 0 240.347 1.108 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2ccnc(C)n2)C1 ZINC000054790807 535539732 /nfs/dbraw/zinc/53/97/32/535539732.db2.gz ASHQYJFZUPCTSG-CYBMUJFWSA-N 1 0 234.347 1.359 10 0 BDAERO CCOC[C@H](C)[NH2+][C@H]1CCCCC[C@H]1O ZINC000250577398 535691258 /nfs/dbraw/zinc/69/12/58/535691258.db2.gz XPHCHYIRIRLCTH-SDDRHHMPSA-N 1 0 215.337 1.695 10 0 BDAERO CCOC(=O)c1ccc2c(c1)C[NH2+]CCO2 ZINC000261118094 535699812 /nfs/dbraw/zinc/69/98/12/535699812.db2.gz GDNZCFTXXZNGTG-UHFFFAOYSA-N 1 0 221.256 1.345 10 0 BDAERO CCO[C@@H]1CCCN(c2cc(N)cc[nH+]2)C1 ZINC000043569257 535745522 /nfs/dbraw/zinc/74/55/22/535745522.db2.gz YUYKLWNUUSGNAZ-LLVKDONJSA-N 1 0 221.304 1.669 10 0 BDAERO C[NH+](C)CCCN1CCCc2ccc(N)cc21 ZINC000019779418 535832801 /nfs/dbraw/zinc/83/28/01/535832801.db2.gz OBUJDHTYABTYKQ-UHFFFAOYSA-N 1 0 233.359 1.973 10 0 BDAERO CC[C@]1(C(=O)N[C@H](C)[C@H]2CCCO2)CC[NH2+]C1 ZINC000251178121 535882292 /nfs/dbraw/zinc/88/22/92/535882292.db2.gz CQFBTADJAWCTOS-WZRBSPASSA-N 1 0 240.347 1.060 10 0 BDAERO CCc1nnc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)[nH]1 ZINC000181704459 536139164 /nfs/dbraw/zinc/13/91/64/536139164.db2.gz LBYMFEBLSNPOTP-QWRGUYRKSA-N 1 0 249.362 1.036 10 0 BDAERO CC[C@H](C)[NH2+]Cc1cccnc1-n1cncn1 ZINC000178054336 536170418 /nfs/dbraw/zinc/17/04/18/536170418.db2.gz CYVMRAIYVIDXQP-JTQLQIEISA-N 1 0 231.303 1.550 10 0 BDAERO CCC[C@@H](C(=O)OCC)n1cc[nH+]c1N ZINC000702470731 582926799 /nfs/dbraw/zinc/92/67/99/582926799.db2.gz DZDZBCJZASHJRC-QMMMGPOBSA-N 1 0 211.265 1.370 10 0 BDAERO CN1C(=O)C[C@H]([N@@H+]2CCC3(CCCC3)C2)C1=O ZINC000172950937 536318163 /nfs/dbraw/zinc/31/81/63/536318163.db2.gz VPAWSFVQZGBARD-JTQLQIEISA-N 1 0 236.315 1.010 10 0 BDAERO COC(=O)C[C@@H]1COCC[N@@H+]1CC(C)(C)C ZINC000259632542 536325201 /nfs/dbraw/zinc/32/52/01/536325201.db2.gz AKQYEDPTLKFPMX-SNVBAGLBSA-N 1 0 229.320 1.296 10 0 BDAERO C[NH+]1CCN(c2cc(F)ccc2N)CC1 ZINC000052118769 536419779 /nfs/dbraw/zinc/41/97/79/536419779.db2.gz OQWILTQWQXSVHR-UHFFFAOYSA-N 1 0 209.268 1.160 10 0 BDAERO COC[C@@H]([NH3+])C(=O)N(C)c1ccc(C)c(C)c1 ZINC000262200721 536653415 /nfs/dbraw/zinc/65/34/15/536653415.db2.gz NAFOGHAVINIJOK-GFCCVEGCSA-N 1 0 236.315 1.240 10 0 BDAERO COc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085355132 536807424 /nfs/dbraw/zinc/80/74/24/536807424.db2.gz YXLIVTSPHQJKSP-NWDGAFQWSA-N 1 0 234.299 1.761 10 0 BDAERO COc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])ncn1 ZINC000090783662 536828696 /nfs/dbraw/zinc/82/86/96/536828696.db2.gz AYSRUEQRPYIBTL-NXEZZACHSA-N 1 0 236.319 1.049 10 0 BDAERO COc1ccccc1CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085355376 537045823 /nfs/dbraw/zinc/04/58/23/537045823.db2.gz GVYMCMXGDXJYSS-NWDGAFQWSA-N 1 0 248.326 1.439 10 0 BDAERO O=C1CCOC[C@@H]1[C@@H]1CCCCCC[NH2+]1 ZINC000301032303 537881866 /nfs/dbraw/zinc/88/18/66/537881866.db2.gz RVLUXTPKUDMDHR-MNOVXSKESA-N 1 0 211.305 1.514 10 0 BDAERO CCc1nc([C@@H]2CCCCC[NH2+]2)n(C)n1 ZINC000080989967 538116541 /nfs/dbraw/zinc/11/65/41/538116541.db2.gz VRJJSRRYYIVYBN-VIFPVBQESA-N 1 0 208.309 1.582 10 0 BDAERO Cc1cnc([C@H](O)C(C)(C)C[NH3+])s1 ZINC000307309137 566278254 /nfs/dbraw/zinc/27/82/54/566278254.db2.gz FFQHSHKCNPVLKO-ZETCQYMHSA-N 1 0 200.307 1.470 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(Cc2ccccc2)no1 ZINC000037452201 566303472 /nfs/dbraw/zinc/30/34/72/566303472.db2.gz LTEUBZQLMLRTID-SECBINFHSA-N 1 0 217.272 1.550 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000675052880 566411874 /nfs/dbraw/zinc/41/18/74/566411874.db2.gz CBFWYCQCFFXHEX-UKKRHICBSA-N 1 0 210.321 1.004 10 0 BDAERO CC[C@@](C)(C[NH3+])[C@@H](O)c1cnsc1 ZINC000669377246 566424049 /nfs/dbraw/zinc/42/40/49/566424049.db2.gz LBIDOEYOQSXJNN-IUCAKERBSA-N 1 0 200.307 1.552 10 0 BDAERO O=C1C=CC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@@H]34 ZINC000028571825 560091657 /nfs/dbraw/zinc/09/16/57/560091657.db2.gz AAGFPTSOPGCENQ-BHPKHCPMSA-N 1 0 246.354 1.648 10 0 biogenic,in-vitro BDAERO c1ccc(C2=NC3=[NH+]CCCN3N2)cc1 ZINC000214236633 582457872 /nfs/dbraw/zinc/45/78/72/582457872.db2.gz YGUAIWIZODZOSZ-UHFFFAOYSA-N 1 0 200.245 1.013 10 0 BDAERO Cc1cc2nccc([C@H]3CCC[NH2+]C3)n2n1 ZINC000105961009 582460075 /nfs/dbraw/zinc/46/00/75/582460075.db2.gz QBQKQIVCSQUBFJ-JTQLQIEISA-N 1 0 216.288 1.505 10 0 BDAERO Cc1nc(C(=O)C(C)(C)F)sc1CC[NH3+] ZINC000757123010 582498250 /nfs/dbraw/zinc/49/82/50/582498250.db2.gz HUZNQTNUMMWPME-UHFFFAOYSA-N 1 0 230.308 1.884 10 0 BDAERO COC[C@H](C)N1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757126720 582501923 /nfs/dbraw/zinc/50/19/23/582501923.db2.gz GWNGOZZFTJLWPD-AGIUHOORSA-N 1 0 226.364 1.628 10 0 BDAERO C[NH2+]Cc1sc([C@@H](O)C(C)C)nc1C ZINC000757127063 582502193 /nfs/dbraw/zinc/50/21/93/582502193.db2.gz IAGSQVKLSJBIKG-VIFPVBQESA-N 1 0 214.334 1.860 10 0 BDAERO CCC[N@@H+]1CCC[C@]12CN1CCC2CC1 ZINC000757129599 582503989 /nfs/dbraw/zinc/50/39/89/582503989.db2.gz MAVTUXWXHWJHJI-CYBMUJFWSA-N 1 0 208.349 1.957 10 0 BDAERO CCCC[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757130237 582505341 /nfs/dbraw/zinc/50/53/41/582505341.db2.gz OOSCCPDBVZCHPA-VIFPVBQESA-N 1 0 214.334 1.868 10 0 BDAERO C[NH2+]Cc1sc([C@H](O)C2CC2)nc1C ZINC000757130264 582505460 /nfs/dbraw/zinc/50/54/60/582505460.db2.gz OYDQVUYAPVZTQL-SECBINFHSA-N 1 0 212.318 1.614 10 0 BDAERO [NH3+]Cc1ccccc1NC(=S)NCCF ZINC000757132959 582508237 /nfs/dbraw/zinc/50/82/37/582508237.db2.gz RMLHPDRUIKORHM-UHFFFAOYSA-N 1 0 227.308 1.401 10 0 BDAERO [NH3+]Cc1nnn(C2CC2)c1-c1ccccn1 ZINC000757138064 582516816 /nfs/dbraw/zinc/51/68/16/582516816.db2.gz RSIIRAPDYMHEJY-UHFFFAOYSA-N 1 0 215.260 1.134 10 0 BDAERO C1C[C@]2(CO1)CC[NH2+][C@@]1(CCCSC1)O2 ZINC000757138851 582518401 /nfs/dbraw/zinc/51/84/01/582518401.db2.gz DVNMIXQSKIZJHW-QWRGUYRKSA-N 1 0 229.345 1.379 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1ccnc2ccsc21 ZINC000757140442 582520788 /nfs/dbraw/zinc/52/07/88/582520788.db2.gz DXSZKTOWYCTTOX-QMMMGPOBSA-N 1 0 219.313 1.834 10 0 BDAERO CN1CC[C@@]2(C1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757140618 582521121 /nfs/dbraw/zinc/52/11/21/582521121.db2.gz NOZFNEVJLDJQJQ-ZYHUDNBSSA-N 1 0 212.337 1.443 10 0 BDAERO FC(F)[C@@H]1CC[NH2+][C@@]2(CCCOCC2)O1 ZINC000757141065 582521466 /nfs/dbraw/zinc/52/14/66/582521466.db2.gz JIONXPOSLOJUEU-WPRPVWTQSA-N 1 0 221.247 1.527 10 0 BDAERO CC(C)[C@@H]1C[NH2+][C@]2(COC(C)(C)C2)OC1 ZINC000757141967 582522329 /nfs/dbraw/zinc/52/23/29/582522329.db2.gz CRTXUEOVPGCCHL-PWSUYJOCSA-N 1 0 213.321 1.774 10 0 BDAERO c1ccc(C[C@@H]2CCO[C@@]3(CC[NH2+]C3)N2)cc1 ZINC000757143841 582524516 /nfs/dbraw/zinc/52/45/16/582524516.db2.gz FJQDDCMVACEXAH-UONOGXRCSA-N 1 0 232.327 1.297 10 0 BDAERO [NH3+]C[C@@H]1CCN1Cc1c(F)cccc1F ZINC000757146062 582529434 /nfs/dbraw/zinc/52/94/34/582529434.db2.gz OOOLKMFJMRDXRH-QMMMGPOBSA-N 1 0 212.243 1.498 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ccncc1Br ZINC000757146477 582530550 /nfs/dbraw/zinc/53/05/50/582530550.db2.gz NWJLCJGJDNHSAU-SSDOTTSWSA-N 1 0 242.120 1.382 10 0 BDAERO CC1(C)C[C@@]2(CO1)[NH2+]CC1(CCOCC1)CO2 ZINC000757147630 582531358 /nfs/dbraw/zinc/53/13/58/582531358.db2.gz SMOAKJMLTGJXOY-CYBMUJFWSA-N 1 0 241.331 1.298 10 0 BDAERO C[C@H]1C[C@H](C)OC2(CCN(C3CC3)CC2)[NH2+]1 ZINC000757148710 582532072 /nfs/dbraw/zinc/53/20/72/582532072.db2.gz NTBPWAOMGBHVDV-QWRGUYRKSA-N 1 0 224.348 1.728 10 0 BDAERO CC1(C)C[C@@]2(CO1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757148592 582533072 /nfs/dbraw/zinc/53/30/72/582533072.db2.gz VHUAXIDARJTVMN-ZYHUDNBSSA-N 1 0 211.305 1.670 10 0 BDAERO CC(C)[C@H]1[NH2+][C@@]2(CCOC2)OCC12CCC2 ZINC000757150596 582534645 /nfs/dbraw/zinc/53/46/45/582534645.db2.gz YKZDTLCAKVTTQQ-YPMHNXCESA-N 1 0 225.332 1.918 10 0 BDAERO CC(C)[C@H]1C[NH2+][C@@]2(CCCOCC2)OC1 ZINC000757152434 582536493 /nfs/dbraw/zinc/53/64/93/582536493.db2.gz SHRLVCOABKMLKC-RYUDHWBXSA-N 1 0 213.321 1.775 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1N ZINC000757185114 582554737 /nfs/dbraw/zinc/55/47/37/582554737.db2.gz RRORZSMMDLQWIX-MNOVXSKESA-N 1 0 234.299 1.135 10 0 BDAERO [NH3+]C[C@H]1C[NH2+]C[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757213275 582560823 /nfs/dbraw/zinc/56/08/23/582560823.db2.gz JCAHHMWMKFQLRZ-JOYOIKCWSA-N 1 0 234.299 1.037 10 0 BDAERO CC(=O)c1ccc([C@@H]2C[C@H](C)[C@H]([NH3+])CN2)cc1 ZINC000757218518 582562481 /nfs/dbraw/zinc/56/24/81/582562481.db2.gz VNKGTEPDYZJKMY-FZZIBODNSA-N 1 0 232.327 1.887 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN[C@@H]1c1ccc(C=O)s1 ZINC000757218641 582562586 /nfs/dbraw/zinc/56/25/86/582562586.db2.gz VOZGDPVFICZDQJ-FYBVGQRMSA-N 1 0 224.329 1.558 10 0 BDAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](c2cccc(N)c2)N1 ZINC000757218742 582563347 /nfs/dbraw/zinc/56/33/47/582563347.db2.gz WVDRUXLMMLWMQN-JFUSQASVSA-N 1 0 205.305 1.409 10 0 BDAERO Nc1[nH+]ccn1CCOCC(F)(F)F ZINC000236347175 582652909 /nfs/dbraw/zinc/65/29/09/582652909.db2.gz PXLRMBAJCUNRGH-UHFFFAOYSA-N 1 0 209.171 1.044 10 0 BDAERO CC(C)[NH2+]C[C@H](N)c1ccc2c(c1)CCO2 ZINC000259138472 582806043 /nfs/dbraw/zinc/80/60/43/582806043.db2.gz CRDNNKNDQBEDPC-LBPRGKRZSA-N 1 0 220.316 1.619 10 0 BDAERO CC1(C)C[C@H](n2cc[nH+]c2N)C(C)(C)O1 ZINC000702460658 582926461 /nfs/dbraw/zinc/92/64/61/582926461.db2.gz UHDHGMDTAYWAPT-QMMMGPOBSA-N 1 0 209.293 1.984 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)CCCOC)C1 ZINC000395429076 583057713 /nfs/dbraw/zinc/05/77/13/583057713.db2.gz YKXYLOICMKPTAB-CHWSQXEVSA-N 1 0 244.379 1.112 10 0 BDAERO Cc1noc2ncnc(NC[C@@H]3CCC[NH2+]3)c12 ZINC000071194733 583209788 /nfs/dbraw/zinc/20/97/88/583209788.db2.gz ZIEBEKNUHVNCMF-QMMMGPOBSA-N 1 0 233.275 1.090 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]CC[S@@](C)=O)o1 ZINC000133865927 584944654 /nfs/dbraw/zinc/94/46/54/584944654.db2.gz FRERMRSZIATZFC-OTYXRUKQSA-N 1 0 215.318 1.617 10 0 BDAERO c1cn2c([nH+]1)N[C@@H](c1ccncc1)CC2 ZINC000232456450 585031124 /nfs/dbraw/zinc/03/11/24/585031124.db2.gz RHEXLOSXLOCETB-SNVBAGLBSA-N 1 0 200.245 1.835 10 0 BDAERO CC(C)(C)OC(=O)N1CCCC[C@H]2[C@@H]1[C@H]2[NH3+] ZINC000756957833 586420951 /nfs/dbraw/zinc/42/09/51/586420951.db2.gz DMBGWVCELMTFCO-KXUCPTDWSA-N 1 0 226.320 1.733 10 0 BDAERO CCCN(C)S(=O)(=O)C[C@H]([NH3+])CC(C)C ZINC000757151662 586428841 /nfs/dbraw/zinc/42/88/41/586428841.db2.gz JBKDCYKZYMHJKU-SNVBAGLBSA-N 1 0 236.381 1.031 10 0 BDAERO CN1CC[C@@]2(C1)[NH2+][C@@H](Cc1ccccc1)CCO2 ZINC000757146407 586428908 /nfs/dbraw/zinc/42/89/08/586428908.db2.gz KTGVEDRQHGVFMZ-HUUCEWRRSA-N 1 0 246.354 1.639 10 0 BDAERO CCC(CC)[C@H]([NH3+])CS(=O)(=O)N(C)CC ZINC000757153279 586429418 /nfs/dbraw/zinc/42/94/18/586429418.db2.gz OFKDCONQCPDLRB-SNVBAGLBSA-N 1 0 236.381 1.031 10 0 BDAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])C1CCCCC1 ZINC000757152318 586429586 /nfs/dbraw/zinc/42/95/86/586429586.db2.gz JVICQMNOFRSITC-LLVKDONJSA-N 1 0 248.392 1.176 10 0 BDAERO CC(C)(C)[C@H]1C[NH2+][C@]2(CN3CCC2CC3)OC1 ZINC000757153203 586429642 /nfs/dbraw/zinc/42/96/42/586429642.db2.gz UHWUQFGBTVJIKN-GXTWGEPZSA-N 1 0 238.375 1.690 10 0 BDAERO CN1CC[C@@]2(C1)[NH2+]C[C@H](C(C)(C)C)CO2 ZINC000757152484 586429697 /nfs/dbraw/zinc/42/96/97/586429697.db2.gz SNSULJBMZFLOKV-CMPLNLGQSA-N 1 0 212.337 1.300 10 0 BDAERO O[C@H]1C[NH2+]C[C@@H]1SCc1ccc(Cl)o1 ZINC000757168526 586432680 /nfs/dbraw/zinc/43/26/80/586432680.db2.gz AOCLAJVOKSRELP-YUMQZZPRSA-N 1 0 233.720 1.499 10 0 BDAERO Cc1cc(F)c2c(c1)[C@@H](C[NH3+])CC(=O)N2 ZINC000757175538 586432917 /nfs/dbraw/zinc/43/29/17/586432917.db2.gz IWEXHMQHUANWRE-SSDOTTSWSA-N 1 0 208.236 1.519 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1[C@H]1CCOC1 ZINC000757188537 586435061 /nfs/dbraw/zinc/43/50/61/586435061.db2.gz KDJTXQMAVWAZKT-HBNTYKKESA-N 1 0 241.331 1.200 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1sccc1C ZINC000757187929 586435196 /nfs/dbraw/zinc/43/51/96/586435196.db2.gz IVEALKJPGVJQQZ-UWVGGRQHSA-N 1 0 239.340 1.923 10 0 BDAERO [NH3+]C[C@@H]1CC[NH2+][C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757208672 586437338 /nfs/dbraw/zinc/43/73/38/586437338.db2.gz AOXUCPOYMVEGAI-BXKDBHETSA-N 1 0 234.299 1.384 10 0 BDAERO [NH3+]C[C@H]1C[NH2+]C[C@@H](c2cccc3cc[nH]c32)C1 ZINC000757206986 586437428 /nfs/dbraw/zinc/43/74/28/586437428.db2.gz ATZIDYFCPBGXAZ-JQWIXIFHSA-N 1 0 229.327 1.820 10 0 BDAERO [NH3+]Cc1cccc([C@H]2CCC[C@H](C(=O)[O-])[NH2+]2)c1 ZINC000757208350 586437710 /nfs/dbraw/zinc/43/77/10/586437710.db2.gz CKAVDYKJYUEQNN-VXGBXAGGSA-N 1 0 234.299 1.413 10 0 BDAERO [NH3+]C[C@@H]1CC[NH2+][C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757208680 586437755 /nfs/dbraw/zinc/43/77/55/586437755.db2.gz AOXUCPOYMVEGAI-SKDRFNHKSA-N 1 0 234.299 1.384 10 0 BDAERO CCOC(=O)[C@H]1CC[C@@H](C2CCOCC2)[NH2+]C1 ZINC000757213113 586439239 /nfs/dbraw/zinc/43/92/39/586439239.db2.gz OBMMIPRNWUTJMY-RYUDHWBXSA-N 1 0 241.331 1.344 10 0 BDAERO CCOC(=O)[C@H]1CC[C@H](C2CCOCC2)[NH2+]C1 ZINC000757213111 586439569 /nfs/dbraw/zinc/43/95/69/586439569.db2.gz OBMMIPRNWUTJMY-NWDGAFQWSA-N 1 0 241.331 1.344 10 0 BDAERO [NH3+][C@H]1CC[C@@H](c2cccc(C=O)c2)NC1 ZINC000757216093 586440561 /nfs/dbraw/zinc/44/05/61/586440561.db2.gz PEEHWQJLZIYPNI-RYUDHWBXSA-N 1 0 204.273 1.251 10 0 BDAERO CC(=O)c1ccc([C@@H]2NCC[C@@H](C)[C@H]2[NH3+])cc1 ZINC000757215893 586440804 /nfs/dbraw/zinc/44/08/04/586440804.db2.gz NZWDGFVQESJCOR-FZQKWOKYSA-N 1 0 232.327 1.887 10 0 BDAERO CC(=O)c1ccc([C@@H]2NC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000757217994 586441579 /nfs/dbraw/zinc/44/15/79/586441579.db2.gz UCIJPLQURXPKRG-BIGNPOOSSA-N 1 0 232.327 1.887 10 0 BDAERO [NH3+]Cc1cccc([C@H]2C[C@H](C(=O)[O-])CC[NH2+]2)c1 ZINC000757219329 586442061 /nfs/dbraw/zinc/44/20/61/586442061.db2.gz WVBVZWCIEBWIGF-VXGBXAGGSA-N 1 0 234.299 1.271 10 0 BDAERO [NH3+]Cc1ccc([C@@H]2CCC[C@H](C(=O)[O-])[NH2+]2)cc1 ZINC000757220350 586442231 /nfs/dbraw/zinc/44/22/31/586442231.db2.gz YXTBIZVAHKDZGT-NWDGAFQWSA-N 1 0 234.299 1.413 10 0 BDAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2cnn(C(C)(C)C)c2)N1 ZINC000757228634 586442910 /nfs/dbraw/zinc/44/29/10/586442910.db2.gz DFAPWTAFLNKXTF-YUSALJHKSA-N 1 0 236.363 1.778 10 0 BDAERO CC(C)(C)n1cc([C@@H]2NCCC[C@@H]2[NH3+])cn1 ZINC000757235850 586443220 /nfs/dbraw/zinc/44/32/20/586443220.db2.gz MXQAGOWHVHDLIH-QWRGUYRKSA-N 1 0 222.336 1.390 10 0 BDAERO C[N@@H+]1CC[C@@H](CNC(=O)N2CCCCC2)C1 ZINC000104766696 588026757 /nfs/dbraw/zinc/02/67/57/588026757.db2.gz NGAXAPHNDRUNNH-NSHDSACASA-N 1 0 225.336 1.134 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)N1CCCCC1 ZINC000104770315 588027353 /nfs/dbraw/zinc/02/73/53/588027353.db2.gz CCFLPBIYJVNRNP-LBPRGKRZSA-N 1 0 239.363 1.476 10 0 BDAERO CCOC(=O)C=C1CC[NH+](C(C)C)CC1 ZINC000107246843 588344524 /nfs/dbraw/zinc/34/45/24/588344524.db2.gz JVINEBVHZCPDOS-UHFFFAOYSA-N 1 0 211.305 1.980 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N1CC[NH2+]C[C@H]1C ZINC000124395469 589984367 /nfs/dbraw/zinc/98/43/67/589984367.db2.gz PVYUJJXCUQZPDI-CHWSQXEVSA-N 1 0 246.354 1.686 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1cncc(Cl)n1 ZINC000126470731 590314883 /nfs/dbraw/zinc/31/48/83/590314883.db2.gz SNVDQKUBCHDUDL-QMMMGPOBSA-N 1 0 226.711 1.448 10 0 BDAERO Clc1cncc(NCC[C@H]2CC[NH2+]C2)n1 ZINC000126483002 590320094 /nfs/dbraw/zinc/32/00/94/590320094.db2.gz OGQSBMBHGDZUHX-MRVPVSSYSA-N 1 0 226.711 1.542 10 0 BDAERO C[C@@]1(CNc2cncc(Cl)n2)CCC[NH2+]C1 ZINC000126523019 590330346 /nfs/dbraw/zinc/33/03/46/590330346.db2.gz ZEBCDXBOARSDLP-LLVKDONJSA-N 1 0 240.738 1.932 10 0 BDAERO C[C@H]1C[C@@H](C[NH3+])CN1c1cncc(Cl)n1 ZINC000126521509 590330461 /nfs/dbraw/zinc/33/04/61/590330461.db2.gz DNSVBQWLELQFQL-YUMQZZPRSA-N 1 0 226.711 1.304 10 0 BDAERO c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC000128319441 590978531 /nfs/dbraw/zinc/97/85/31/590978531.db2.gz ZKKAPTPXOISOBM-ZJUUUORDSA-N 1 0 238.360 1.598 10 0 BDAERO Cc1cc(F)ccc1C(=O)NCC1CC([NH3+])C1 ZINC000128652898 591147102 /nfs/dbraw/zinc/14/71/02/591147102.db2.gz GPBNBWOTALFYDY-UHFFFAOYSA-N 1 0 236.290 1.601 10 0 BDAERO C[N@@H+]1CCC[C@H]2CN(C(=O)n3ccnc3)CC[C@@H]21 ZINC000130057022 591432273 /nfs/dbraw/zinc/43/22/73/591432273.db2.gz LLTQYHWIXTYCKA-RYUDHWBXSA-N 1 0 248.330 1.267 10 0 BDAERO CO[C@H](c1noc([C@H](C)[C@@H](C)[NH3+])n1)C1CC1 ZINC000131244771 591577577 /nfs/dbraw/zinc/57/75/77/591577577.db2.gz OQBIQDZQVFGRGD-BHNWBGBOSA-N 1 0 225.292 1.618 10 0 BDAERO C[NH2+]CCCc1nc([C@@H](OC)C2CC2)no1 ZINC000131245395 591578637 /nfs/dbraw/zinc/57/86/37/591578637.db2.gz HTPANXGCYUFVCU-JTQLQIEISA-N 1 0 225.292 1.319 10 0 BDAERO Cc1cc(C[NH2+][C@@H](C)C(N)=O)ccc1Cl ZINC000134652013 591945492 /nfs/dbraw/zinc/94/54/92/591945492.db2.gz OAFAYBOXYCFJOQ-QMMMGPOBSA-N 1 0 226.707 1.612 10 0 BDAERO C[C@H](C[NH2+][C@@H]1CCCSC1)N1CCOCC1 ZINC000134804596 591951292 /nfs/dbraw/zinc/95/12/92/591951292.db2.gz CCHGQANULWTDSU-VXGBXAGGSA-N 1 0 244.404 1.192 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000218875716 592188185 /nfs/dbraw/zinc/18/81/85/592188185.db2.gz RYTBLPWWJAZTQG-FBIMIBRVSA-N 1 0 210.321 1.419 10 0 BDAERO CCCCN1C[C@@]2(CCC[NH2+]C2)OC1=O ZINC000220632654 592317930 /nfs/dbraw/zinc/31/79/30/592317930.db2.gz FGNYXQYPXDCJPW-NSHDSACASA-N 1 0 212.293 1.361 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)C1CC1 ZINC000220981342 592385653 /nfs/dbraw/zinc/38/56/53/592385653.db2.gz QYDOHYXDUWQTFM-QWHCGFSZSA-N 1 0 226.364 1.173 10 0 BDAERO c1ccc(N2CCC[C@]23CC[NH2+]C3)nc1 ZINC000257687250 634461936 /nfs/dbraw/zinc/46/19/36/634461936.db2.gz IHACTUSYUYEVFZ-GFCCVEGCSA-N 1 0 203.289 1.414 10 0 BDAERO [NH3+]CC[C@H]1CCN(c2ncnc3c2CCCC3)C1 ZINC000125465857 634509147 /nfs/dbraw/zinc/50/91/47/634509147.db2.gz JGPXCSICBHQPNF-NSHDSACASA-N 1 0 246.358 1.531 10 0 BDAERO CC(C)n1nccc1C[NH2+][C@H](C)[C@@H](C)O ZINC000336763679 635283981 /nfs/dbraw/zinc/28/39/81/635283981.db2.gz PJZBWZUDQRUKHN-NXEZZACHSA-N 1 0 211.309 1.323 10 0 BDAERO CC(C)n1cc(C[NH2+][C@H](C)[C@@H](C)O)cn1 ZINC000336762413 635284014 /nfs/dbraw/zinc/28/40/14/635284014.db2.gz ODDPNFUNPGZKDV-NXEZZACHSA-N 1 0 211.309 1.323 10 0 BDAERO CC(C)C[C@@H](O)CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000310214095 635404838 /nfs/dbraw/zinc/40/48/38/635404838.db2.gz DADFFOKFJRUNSZ-VXGBXAGGSA-N 1 0 242.363 1.042 10 0 BDAERO C[C@H]([NH3+])CN(C)c1cnc2ccccc2n1 ZINC000082592640 631408287 /nfs/dbraw/zinc/40/82/87/631408287.db2.gz BINFDSFOBNNZQS-VIFPVBQESA-N 1 0 216.288 1.413 10 0 BDAERO CNC(=O)CCC[NH2+]CCc1ccccc1 ZINC000082671820 631410947 /nfs/dbraw/zinc/41/09/47/631410947.db2.gz BSTCZJFFVCXFBQ-UHFFFAOYSA-N 1 0 220.316 1.345 10 0 BDAERO CN1C[C@H]([NH2+]CCc2ccccc2)CCC1=O ZINC000084062133 631434757 /nfs/dbraw/zinc/43/47/57/631434757.db2.gz BWTMQAWKDBTCPC-CYBMUJFWSA-N 1 0 232.327 1.440 10 0 BDAERO C[NH2+]CCc1noc(C(C)(Cl)Cl)n1 ZINC000308724050 631554935 /nfs/dbraw/zinc/55/49/35/631554935.db2.gz FSHVHEFMMBJLBU-UHFFFAOYSA-N 1 0 224.091 1.482 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CC(C)(C)C[C@@H]2C ZINC000234542637 631572311 /nfs/dbraw/zinc/57/23/11/631572311.db2.gz FXTXMTNAKOMXPE-KWBADKCTSA-N 1 0 225.332 1.821 10 0 BDAERO CCCCOCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996852 631583082 /nfs/dbraw/zinc/58/30/82/631583082.db2.gz YOHVJYRBQBJLFH-NWDGAFQWSA-N 1 0 243.347 1.544 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)Cc1ccccc1 ZINC000178698297 635655017 /nfs/dbraw/zinc/65/50/17/635655017.db2.gz UYBADFJJTXWSJT-NWDGAFQWSA-N 1 0 234.343 1.719 10 0 BDAERO CC(C)C[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000308810121 631663679 /nfs/dbraw/zinc/66/36/79/631663679.db2.gz PWIDYPOATOZCJD-GHMZBOCLSA-N 1 0 217.353 1.390 10 0 BDAERO CN(Cc1cnns1)[C@@H]1CCC[NH2+]CC1 ZINC000308808698 631664472 /nfs/dbraw/zinc/66/44/72/631664472.db2.gz AVIPNVSRUXXDIZ-SECBINFHSA-N 1 0 226.349 1.112 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNC(=O)O2)o1 ZINC000291547106 631740997 /nfs/dbraw/zinc/74/09/97/631740997.db2.gz AHVCKJLKAQIESE-BDAKNGLRSA-N 1 0 224.260 1.347 10 0 BDAERO C[C@@H](CCO)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000308924803 631746547 /nfs/dbraw/zinc/74/65/47/631746547.db2.gz DAIOKDRWGGPAFT-YFKTTZPYSA-N 1 0 215.337 1.551 10 0 BDAERO C[C@@H]1CN(c2nnc(C(F)F)s2)C[C@H]1[NH3+] ZINC000309031274 631805395 /nfs/dbraw/zinc/80/53/95/631805395.db2.gz BTPMQTWPWZMUQT-RFZPGFLSSA-N 1 0 234.275 1.259 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000309041708 631825767 /nfs/dbraw/zinc/82/57/67/631825767.db2.gz LPBNORWTSCFQHT-XHNCKOQMSA-N 1 0 212.268 1.641 10 0 BDAERO Nc1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1 ZINC000385833115 631827607 /nfs/dbraw/zinc/82/76/07/631827607.db2.gz PIMAYHMFHUINFA-UHFFFAOYSA-N 1 0 214.272 1.305 10 0 BDAERO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000309103756 631879934 /nfs/dbraw/zinc/87/99/34/631879934.db2.gz GZGDVSBWBVTQHY-VWYCJHECSA-N 1 0 205.305 1.586 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158543994 631902655 /nfs/dbraw/zinc/90/26/55/631902655.db2.gz RHHPMEDVWCEPPA-OCCSQVGLSA-N 1 0 246.354 1.815 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCCCCF)C[C@@H]1C ZINC000309151852 631909745 /nfs/dbraw/zinc/90/97/45/631909745.db2.gz SHEHWIONYCQWDN-QWRGUYRKSA-N 1 0 231.311 1.867 10 0 BDAERO C[NH2+]CCc1noc(-c2ccc(F)c(F)c2)n1 ZINC000051850722 631964045 /nfs/dbraw/zinc/96/40/45/631964045.db2.gz KVOAEZRYCMWJGT-UHFFFAOYSA-N 1 0 239.225 1.777 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)F ZINC000309252651 631982309 /nfs/dbraw/zinc/98/23/09/631982309.db2.gz BQWJNDXWPUZNSO-NXEZZACHSA-N 1 0 228.311 1.430 10 0 BDAERO c1nc2c([nH]1)[C@@H]([C@@H]1CCCCO1)[NH2+]CC2 ZINC000259559483 632059637 /nfs/dbraw/zinc/05/96/37/632059637.db2.gz VLIHAXDDKHOPMN-GXSJLCMTSA-N 1 0 207.277 1.166 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2nc(C[C@H]3CCCO3)no2)C1 ZINC000251425299 635704678 /nfs/dbraw/zinc/70/46/78/635704678.db2.gz STVRXTAVVKNPPX-OPRDCNLKSA-N 1 0 237.303 1.386 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2C[C@H]2C2CC2)n1 ZINC000309455535 632099273 /nfs/dbraw/zinc/09/92/73/632099273.db2.gz NMWBAKOXXNWGOD-BWVDBABLSA-N 1 0 207.277 1.645 10 0 BDAERO [NH3+]CC[C@H]1CCN(c2cnc3ccccc3n2)C1 ZINC000125482423 632107244 /nfs/dbraw/zinc/10/72/44/632107244.db2.gz VDIQTTUPIWJVKF-NSHDSACASA-N 1 0 242.326 1.805 10 0 BDAERO C[C@@H](C[NH3+])c1noc(Cc2cccc(F)c2)n1 ZINC000054158843 635775729 /nfs/dbraw/zinc/77/57/29/635775729.db2.gz SALZOBKRQQRETM-QMMMGPOBSA-N 1 0 235.262 1.862 10 0 BDAERO C[C@@H](C[NH3+])c1noc(CCc2ccco2)n1 ZINC000054158869 635776480 /nfs/dbraw/zinc/77/64/80/635776480.db2.gz MMQITUGIHFAXAW-QMMMGPOBSA-N 1 0 221.260 1.510 10 0 BDAERO C(c1noc([C@@H]2CCC[NH2+]2)n1)C1CCC1 ZINC000308908665 632397782 /nfs/dbraw/zinc/39/77/82/632397782.db2.gz WAYOVFLLWWHCBO-VIFPVBQESA-N 1 0 207.277 1.837 10 0 BDAERO Cc1ocnc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000309503423 632434535 /nfs/dbraw/zinc/43/45/35/632434535.db2.gz VHRZPMMURBFXMD-YFKPBYRVSA-N 1 0 208.221 1.095 10 0 BDAERO CNC(=O)[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)C(C)C ZINC000309588439 632550601 /nfs/dbraw/zinc/55/06/01/632550601.db2.gz SZNVZHLRAVIBHK-GRYCIOLGSA-N 1 0 226.364 1.781 10 0 BDAERO C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])(OCCO)C1 ZINC000235289473 632613985 /nfs/dbraw/zinc/61/39/85/632613985.db2.gz KOEXYVPYWGTABM-GMTAPVOTSA-N 1 0 201.310 1.149 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2CC=CCC2)n1 ZINC000309657606 632620968 /nfs/dbraw/zinc/62/09/68/632620968.db2.gz WPQDCZDTUDVXLW-SECBINFHSA-N 1 0 207.277 1.655 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000309040364 632622138 /nfs/dbraw/zinc/62/21/38/632622138.db2.gz JJZGQDJTUPCNHA-IJLUTSLNSA-N 1 0 212.337 1.095 10 0 BDAERO Cn1nncc1-c1cccc2c1CC[NH2+]C2 ZINC000236084841 632874998 /nfs/dbraw/zinc/87/49/98/632874998.db2.gz LZDARZNLTFRNPX-UHFFFAOYSA-N 1 0 214.272 1.128 10 0 BDAERO CC(C)(O)C[NH2+]C[C@H]1CSCCS1 ZINC000229598121 632981439 /nfs/dbraw/zinc/98/14/39/632981439.db2.gz ZRXAPRAZVLCWKS-QMMMGPOBSA-N 1 0 221.391 1.196 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000309379406 632991911 /nfs/dbraw/zinc/99/19/11/632991911.db2.gz GHPBYJWIODAQFR-LBPRGKRZSA-N 1 0 221.304 1.253 10 0 BDAERO CC(C)([NH3+])CCc1nc(Cc2ccncc2)no1 ZINC000053129898 633008765 /nfs/dbraw/zinc/00/87/65/633008765.db2.gz WPAQFCHLOWCVBB-UHFFFAOYSA-N 1 0 246.314 1.725 10 0 BDAERO Cc1nc(-c2noc(CC[C@H]3CCC[NH2+]3)n2)co1 ZINC000310912244 633015175 /nfs/dbraw/zinc/01/51/75/633015175.db2.gz DGVOLHWFWZBGJO-SECBINFHSA-N 1 0 248.286 1.718 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(F)c(F)c1 ZINC000166502602 633115821 /nfs/dbraw/zinc/11/58/21/633115821.db2.gz OWANIGJGOBRAEU-IUCAKERBSA-N 1 0 241.237 1.441 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@]12CCc1ccccc12 ZINC000166586393 633117058 /nfs/dbraw/zinc/11/70/58/633117058.db2.gz YPDVGCMYZTUYEG-HIFRSBDPSA-N 1 0 245.322 1.653 10 0 BDAERO CC(C)(C)OC(=O)CC[NH2+]C(C)(C)CO ZINC000067486009 636139796 /nfs/dbraw/zinc/13/97/96/636139796.db2.gz SUZCGYBSVZTBFI-UHFFFAOYSA-N 1 0 217.309 1.079 10 0 BDAERO Cn1ncc(C[NH2+][C@H]2CCC[C@H]2CCF)n1 ZINC000309524420 633946068 /nfs/dbraw/zinc/94/60/68/633946068.db2.gz APEAEHMLNFZBQZ-ONGXEEELSA-N 1 0 226.299 1.433 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000395980075 633948926 /nfs/dbraw/zinc/94/89/26/633948926.db2.gz DERWQHPMHJRYJD-UWVGGRQHSA-N 1 0 227.352 1.602 10 0 BDAERO C[C@@H]([NH2+]CC1OCCO1)c1cncc(F)c1 ZINC000309604527 633969211 /nfs/dbraw/zinc/96/92/11/633969211.db2.gz YHUCVDOZYAGFBP-MRVPVSSYSA-N 1 0 226.251 1.244 10 0 BDAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H](C)O ZINC000309974192 634008103 /nfs/dbraw/zinc/00/81/03/634008103.db2.gz RMHGVYSWPSEKOU-OPRDCNLKSA-N 1 0 230.352 1.039 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000309979002 634016882 /nfs/dbraw/zinc/01/68/82/634016882.db2.gz VKGUTDKNJJNPQG-BQBZGAKWSA-N 1 0 233.233 1.963 10 0 BDAERO CC(C)CC(C)(C)CNC(=O)C1CC([NH3+])C1 ZINC000258611637 635173687 /nfs/dbraw/zinc/17/36/87/635173687.db2.gz BARYYCXRRRAHIH-UHFFFAOYSA-N 1 0 226.364 1.912 10 0 BDAERO CCN(C(=O)C1CC([NH3+])C1)c1ccccc1 ZINC000258613402 635174126 /nfs/dbraw/zinc/17/41/26/635174126.db2.gz BJKIDSOKFWKXTN-UHFFFAOYSA-N 1 0 218.300 1.777 10 0 BDAERO [NH3+]C1CC(C(=O)NCc2cccc(F)c2)C1 ZINC000258705184 635190668 /nfs/dbraw/zinc/19/06/68/635190668.db2.gz LQOOHLSWEGBNQC-UHFFFAOYSA-N 1 0 222.263 1.179 10 0 BDAERO CC(C)OC1CC([NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000336649691 635202293 /nfs/dbraw/zinc/20/22/93/635202293.db2.gz HYEZDJVFANPRIB-IZUQBHJASA-N 1 0 201.310 1.301 10 0 BDAERO CN(Cc1cccs1)C(=O)C1CC([NH3+])C1 ZINC000258811414 635205965 /nfs/dbraw/zinc/20/59/65/635205965.db2.gz XCFIWNFYBRMDCW-UHFFFAOYSA-N 1 0 224.329 1.444 10 0 BDAERO C[C@@H]([NH2+]Cc1ncc(CN(C)C)s1)[C@H](C)O ZINC000336777378 635287275 /nfs/dbraw/zinc/28/72/75/635287275.db2.gz IHAFRPZKABHZBR-BDAKNGLRSA-N 1 0 243.376 1.064 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000336777670 635287711 /nfs/dbraw/zinc/28/77/11/635287711.db2.gz JCLIEIWVAUNDAI-NXEZZACHSA-N 1 0 225.336 1.497 10 0 BDAERO CCn1nc(C[NH2+][C@H](C)[C@@H](C)O)c2ccccc21 ZINC000342195779 636333780 /nfs/dbraw/zinc/33/37/80/636333780.db2.gz GAXPISCHLDNPGF-GHMZBOCLSA-N 1 0 247.342 1.915 10 0 BDAERO C[C@H](C[NH3+])c1nc(Cc2ccncc2)no1 ZINC000054334896 636411215 /nfs/dbraw/zinc/41/12/15/636411215.db2.gz DXCQKARDIMKBKA-MRVPVSSYSA-N 1 0 218.260 1.118 10 0 BDAERO OC1CCN(CC[NH2+]CCc2ccccc2)CC1 ZINC000321643389 636670106 /nfs/dbraw/zinc/67/01/06/636670106.db2.gz ZXMAGGMITIRERV-UHFFFAOYSA-N 1 0 248.370 1.275 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237346816 636716507 /nfs/dbraw/zinc/71/65/07/636716507.db2.gz NHICECBHLQZPSB-WCQYABFASA-N 1 0 232.327 1.425 10 0 BDAERO Cn1ncnc1[C@@H]([NH3+])Cc1ccccc1 ZINC000054498621 636743028 /nfs/dbraw/zinc/74/30/28/636743028.db2.gz JBFBJCDFWGPQFZ-JTQLQIEISA-N 1 0 202.261 1.058 10 0 BDAERO CCn1ncnc1[C@]1([NH3+])CCC[C@H](C)C1 ZINC000054498766 636743438 /nfs/dbraw/zinc/74/34/38/636743438.db2.gz OOESPQRHUBHVEK-ONGXEEELSA-N 1 0 208.309 1.662 10 0 BDAERO C[C@H](O)[C@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000346518397 637163061 /nfs/dbraw/zinc/16/30/61/637163061.db2.gz RGFKVRGEAZLOKP-HTFCKZLJSA-N 1 0 242.363 1.133 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000149254005 638255651 /nfs/dbraw/zinc/25/56/51/638255651.db2.gz QGPZHWLFVOOMGK-ZJUUUORDSA-N 1 0 212.337 1.394 10 0 BDAERO CCc1nc(CC[C@H]2CCCC[NH2+]2)n(C)n1 ZINC000054696823 640305914 /nfs/dbraw/zinc/30/59/14/640305914.db2.gz IPGKGRJKBHGBAU-SNVBAGLBSA-N 1 0 222.336 1.452 10 0 BDAERO CCc1nc([C@@H]([NH3+])C2CCCCC2)n(C)n1 ZINC000054696945 640306561 /nfs/dbraw/zinc/30/65/61/640306561.db2.gz WFKOWNKNPFBHQN-NSHDSACASA-N 1 0 222.336 1.958 10 0 BDAERO CCC[C@](C)([NH3+])c1nc(C(C)C)nn1C ZINC000054697919 640306605 /nfs/dbraw/zinc/30/66/05/640306605.db2.gz JSWMKXMYUGPBHN-NSHDSACASA-N 1 0 210.325 1.913 10 0 BDAERO C[C@@H]([NH3+])c1nc(C2CCCCC2)nn1C ZINC000054699446 640320340 /nfs/dbraw/zinc/32/03/40/640320340.db2.gz SHRXZZOBAZWAOP-MRVPVSSYSA-N 1 0 208.309 1.883 10 0 BDAERO C[C@H]([NH3+])c1nc(-c2cccs2)nn1C ZINC000054699849 640321127 /nfs/dbraw/zinc/32/11/27/640321127.db2.gz OEUGKVVYPWAINJ-LURJTMIESA-N 1 0 208.290 1.563 10 0 BDAERO C[NH2+][C@H](C)c1nc(C2CCCC2)nn1C ZINC000054699108 640321449 /nfs/dbraw/zinc/32/14/49/640321449.db2.gz GWWPFTDZAAMORW-MRVPVSSYSA-N 1 0 208.309 1.753 10 0 BDAERO [NH3+]CC[C@@H]1CCN(c2ncncc2Cl)C1 ZINC000163772287 640416117 /nfs/dbraw/zinc/41/61/17/640416117.db2.gz HGTQOUKETUFPKJ-MRVPVSSYSA-N 1 0 226.711 1.305 10 0 BDAERO [NH3+][C@H]1CCN([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000044677401 640452961 /nfs/dbraw/zinc/45/29/61/640452961.db2.gz RVVLAKYTNMYFKE-RWMBFGLXSA-N 1 0 202.301 1.576 10 0 BDAERO C[NH+](C)CCNc1cncc2cccnc21 ZINC000223137899 640538737 /nfs/dbraw/zinc/53/87/37/640538737.db2.gz XDHPWCCXZIXBOQ-UHFFFAOYSA-N 1 0 216.288 1.603 10 0 BDAERO COc1ccc2c(c1)[C@H](C[NH3+])CC(=O)N2 ZINC000057938348 640649720 /nfs/dbraw/zinc/64/97/20/640649720.db2.gz KEQSCSJHYPLTCJ-ZETCQYMHSA-N 1 0 206.245 1.080 10 0 BDAERO CO[C@H](C)CCc1nc([C@@H](C)C[NH3+])no1 ZINC000166806603 640679010 /nfs/dbraw/zinc/67/90/10/640679010.db2.gz KHUDYWFMNXABRP-JGVFFNPUSA-N 1 0 213.281 1.099 10 0 BDAERO CCOC(CN1C[C@H]([NH+](C)C)[C@@H](C)C1)OCC ZINC000226085337 640726641 /nfs/dbraw/zinc/72/66/41/640726641.db2.gz SPGHRPYMPRYKAH-RYUDHWBXSA-N 1 0 244.379 1.267 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000226737427 640790858 /nfs/dbraw/zinc/79/08/58/640790858.db2.gz HCHAPZRSXNZLBO-KKOKHZNYSA-N 1 0 240.347 1.188 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000226826772 640798811 /nfs/dbraw/zinc/79/88/11/640798811.db2.gz WIZGYONDVGROKQ-ZMLRMANQSA-N 1 0 218.300 1.836 10 0 BDAERO CO[C@@H](c1noc(CC[NH2+]C2CC2)n1)C1CC1 ZINC000227332208 640827050 /nfs/dbraw/zinc/82/70/50/640827050.db2.gz PZDSXHQFJMGYAO-LLVKDONJSA-N 1 0 237.303 1.462 10 0 BDAERO CO[C@@H](c1noc(C[NH2+]CC2CC2)n1)C1CC1 ZINC000227330240 640827071 /nfs/dbraw/zinc/82/70/71/640827071.db2.gz GCVOEINMRHXYLO-LLVKDONJSA-N 1 0 237.303 1.667 10 0 BDAERO CO[C@H](c1noc([C@@]2(C)CC[NH2+]C2)n1)C1CC1 ZINC000227332037 640827451 /nfs/dbraw/zinc/82/74/51/640827451.db2.gz DLJCOSCSAFHWQQ-CABZTGNLSA-N 1 0 237.303 1.418 10 0 BDAERO CO[C@@H](c1noc(C[C@H]([NH3+])C(C)C)n1)C1CC1 ZINC000227329854 640827866 /nfs/dbraw/zinc/82/78/66/640827866.db2.gz XVAGHAFEZYLCTE-GXSJLCMTSA-N 1 0 239.319 1.693 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000227475380 640835205 /nfs/dbraw/zinc/83/52/05/640835205.db2.gz GKLGWKBSRMINDY-CKYFFXLPSA-N 1 0 209.289 1.079 10 0 BDAERO COc1ccnc(NC[C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000227646514 640842992 /nfs/dbraw/zinc/84/29/92/640842992.db2.gz PYKOMEZZDHEOMO-BDAKNGLRSA-N 1 0 222.292 1.025 10 0 BDAERO CCCCOCC[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000228698650 640890279 /nfs/dbraw/zinc/89/02/79/640890279.db2.gz YOHVJYRBQBJLFH-RYUDHWBXSA-N 1 0 243.347 1.544 10 0 BDAERO CSC(C)(C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000229108725 640924611 /nfs/dbraw/zinc/92/46/11/640924611.db2.gz IJSKQPUBACUHIN-SNVBAGLBSA-N 1 0 244.404 1.634 10 0 BDAERO CCC1CCC2(C[NH2+]C[C@H]2C(=O)OC)CC1 ZINC000229205651 640932789 /nfs/dbraw/zinc/93/27/89/640932789.db2.gz MBIUPKBRDNHPHJ-AKJDGMEZSA-N 1 0 225.332 1.965 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCC(C)(C)C2 ZINC000229218550 640933633 /nfs/dbraw/zinc/93/36/33/640933633.db2.gz NXHPVZZPDDFYQK-GXFFZTMASA-N 1 0 225.332 1.965 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCCC(C)(C)C2 ZINC000229210216 640933828 /nfs/dbraw/zinc/93/38/28/640933828.db2.gz FGYCUHYVTPOZNZ-GWCFXTLKSA-N 1 0 225.332 1.965 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCC(C)(C)C2 ZINC000229207870 640934700 /nfs/dbraw/zinc/93/47/00/640934700.db2.gz YUHVKYWIHUEYMP-CABZTGNLSA-N 1 0 211.305 1.575 10 0 BDAERO C[C@@H](O)CN1CC[N@H+](C[Si](C)(C)C)C[C@H]1C ZINC000171746082 641010251 /nfs/dbraw/zinc/01/02/51/641010251.db2.gz QEXWHRFRSQDRER-VXGBXAGGSA-N 1 0 244.455 1.251 10 0 BDAERO CCCn1nnc(C[NH3+])c1-c1ccccc1 ZINC000062289928 641033570 /nfs/dbraw/zinc/03/35/70/641033570.db2.gz VJODVYNDDHUBJJ-UHFFFAOYSA-N 1 0 216.288 1.814 10 0 BDAERO COC1CC([NH2+]Cc2nc(C)ccc2O)C1 ZINC000230690718 641089967 /nfs/dbraw/zinc/08/99/67/641089967.db2.gz GDRUHERYWITMQT-UHFFFAOYSA-N 1 0 222.288 1.363 10 0 BDAERO C[NH+](C)[C@H]1CCN(CC[C@H](O)c2ccccc2)C1 ZINC000062970900 641111113 /nfs/dbraw/zinc/11/11/13/641111113.db2.gz HFAFTKBEVDTUDE-GJZGRUSLSA-N 1 0 248.370 1.746 10 0 BDAERO CC(C)[C@@H]1CCC[C@](C[NH3+])(OCCO)C1 ZINC000231020164 641125744 /nfs/dbraw/zinc/12/57/44/641125744.db2.gz XJSUERJWRIJUQD-NEPJUHHUSA-N 1 0 215.337 1.539 10 0 BDAERO CS[C@@H](CO)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000232010743 641227444 /nfs/dbraw/zinc/22/74/44/641227444.db2.gz FMIKEWPJVLJBDA-YPMHNXCESA-N 1 0 239.384 1.931 10 0 BDAERO O[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)c1ccsc1 ZINC000231983785 641227918 /nfs/dbraw/zinc/22/79/18/641227918.db2.gz PPAUJPVABVKEGB-UTUOFQBUSA-N 1 0 241.356 1.675 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](O)COC(C)C)C(C)C ZINC000042588394 641556947 /nfs/dbraw/zinc/55/69/47/641556947.db2.gz RZERLYGVNKAFRM-NEPJUHHUSA-N 1 0 217.353 1.797 10 0 BDAERO C[C@H]1COC[C@H](C)N1C(=O)CCCCC[NH3+] ZINC000155217314 641562667 /nfs/dbraw/zinc/56/26/67/641562667.db2.gz PCFUXHXNZOJKJY-QWRGUYRKSA-N 1 0 228.336 1.141 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2ccncn2)no1 ZINC000156311308 641605620 /nfs/dbraw/zinc/60/56/20/641605620.db2.gz DRGJMRLMGJZKSM-RKDXNWHRSA-N 1 0 245.286 1.369 10 0 BDAERO C[C@@H](C[NH3+])c1noc(CC2CCSCC2)n1 ZINC000157745668 641622704 /nfs/dbraw/zinc/62/27/04/641622704.db2.gz DMOPPRMISJFEKV-QMMMGPOBSA-N 1 0 241.360 1.818 10 0 BDAERO C[C@@H]1CC[C@H](c2nc(C3CC[NH2+]CC3)no2)O1 ZINC000158524825 641637075 /nfs/dbraw/zinc/63/70/75/641637075.db2.gz GEMCZMRPYPXGMW-PSASIEDQSA-N 1 0 237.303 1.777 10 0 BDAERO CSC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000158801789 641652077 /nfs/dbraw/zinc/65/20/77/641652077.db2.gz NVDPQWRYGWJHAA-VHSXEESVSA-N 1 0 244.404 1.619 10 0 BDAERO C[C@@H](CN(C)C)[NH2+]CCc1ccccc1 ZINC000159067363 641663536 /nfs/dbraw/zinc/66/35/36/641663536.db2.gz QRZCGDOEVGHLJZ-LBPRGKRZSA-N 1 0 206.333 1.769 10 0 BDAERO COC(C)(C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324481373 641877355 /nfs/dbraw/zinc/87/73/55/641877355.db2.gz CZIGFLGDQUHIRR-SNVBAGLBSA-N 1 0 217.353 1.798 10 0 BDAERO CC1(C)C[C@H]1c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000232861291 641884551 /nfs/dbraw/zinc/88/45/51/641884551.db2.gz YRTACULMTFCQPQ-IUCAKERBSA-N 1 0 237.303 1.114 10 0 BDAERO CC[N@@H+]1CCCN(C(=O)N2CCCCC2)CC1 ZINC000307893466 642340644 /nfs/dbraw/zinc/34/06/44/642340644.db2.gz HODQKYZIZZGDGT-UHFFFAOYSA-N 1 0 239.363 1.620 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCS(=O)CC1 ZINC000233305527 642658411 /nfs/dbraw/zinc/65/84/11/642658411.db2.gz AERBOXBIGKWYTH-FQYCYVTBSA-N 1 0 215.362 1.676 10 0 BDAERO O[C@@H](C[NH2+]C1CCCC1)CN1CCCCC1 ZINC000238013941 642773972 /nfs/dbraw/zinc/77/39/72/642773972.db2.gz XLHIIOKUHUHMQW-ZDUSSCGKSA-N 1 0 226.364 1.365 10 0 BDAERO CC(C)[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000238793224 642838150 /nfs/dbraw/zinc/83/81/50/642838150.db2.gz IWYDOVIMJDECQD-MRVPVSSYSA-N 1 0 200.307 1.334 10 0 BDAERO CCC1(CC)[NH2+]CC2(CCOCC2)CO1 ZINC000757143486 643308927 /nfs/dbraw/zinc/30/89/27/643308927.db2.gz NABHDUFXPFHXQR-UHFFFAOYSA-N 1 0 213.321 1.919 10 0 BDAERO [NH3+]C[C@H]1CCN1C[C@@H]1CCCC(F)(F)C1 ZINC000757149098 643332775 /nfs/dbraw/zinc/33/27/75/643332775.db2.gz XKFTXZGWUPZNFT-NXEZZACHSA-N 1 0 218.291 1.845 10 0 BDAERO CC[C@H]1CCC[C@@](C[NH3+])(OCCO)CC1 ZINC000234052802 643357973 /nfs/dbraw/zinc/35/79/73/643357973.db2.gz BEDPHNKWIPGLCB-NWDGAFQWSA-N 1 0 215.337 1.683 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@]12CCSC2 ZINC000757183247 643360068 /nfs/dbraw/zinc/36/00/68/643360068.db2.gz ADQNBQLXGZSKAK-SKDRFNHKSA-N 1 0 243.372 1.671 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccncc1F ZINC000757191144 643362527 /nfs/dbraw/zinc/36/25/27/643362527.db2.gz RWKVXQGBICELOM-ZJUUUORDSA-N 1 0 238.262 1.087 10 0 BDAERO CC(C)(C)Cc1noc([C@H]2CC[NH2+]C2)n1 ZINC000082673414 643364675 /nfs/dbraw/zinc/36/46/75/643364675.db2.gz ZPHAFOLYNQIHTG-QMMMGPOBSA-N 1 0 209.293 1.735 10 0 BDAERO [NH3+][C@@H]1CC[NH2+][C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757211042 643369446 /nfs/dbraw/zinc/36/94/46/643369446.db2.gz FSVKAJBSHSPDRE-MNOVXSKESA-N 1 0 220.272 1.137 10 0 BDAERO CCOC(=O)[C@](C)([NH3+])C[C@H](C)n1cccn1 ZINC000082800426 643382112 /nfs/dbraw/zinc/38/21/12/643382112.db2.gz AFEOTTLGROLPQS-GXSJLCMTSA-N 1 0 225.292 1.115 10 0 BDAERO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)n1ccnc1 ZINC000082800122 643383053 /nfs/dbraw/zinc/38/30/53/643383053.db2.gz ARYQAEGUGFLWIS-ONGXEEELSA-N 1 0 225.292 1.115 10 0 BDAERO CCOC(=O)[C@@](C)([NH3+])C[C@H](C)n1cccn1 ZINC000082800427 643383085 /nfs/dbraw/zinc/38/30/85/643383085.db2.gz AFEOTTLGROLPQS-ONGXEEELSA-N 1 0 225.292 1.115 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336754531 643460779 /nfs/dbraw/zinc/46/07/79/643460779.db2.gz IGYJSOYKKWGTKC-HTQZYQBOSA-N 1 0 226.345 1.879 10 0 BDAERO CCc1ncnc(N2CC[C@H](CC[NH3+])C2)c1F ZINC000234181370 643467955 /nfs/dbraw/zinc/46/79/55/643467955.db2.gz OQYXBRAOZJFTIN-VIFPVBQESA-N 1 0 238.310 1.353 10 0 BDAERO Cc1cn2c(n1)nccc2[C@H]1CCC[NH2+]C1 ZINC000235992865 643561767 /nfs/dbraw/zinc/56/17/67/643561767.db2.gz MXOKPXOFQZTFEQ-JTQLQIEISA-N 1 0 216.288 1.505 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1nc2ccccc2[nH]1 ZINC000074204855 643654243 /nfs/dbraw/zinc/65/42/43/643654243.db2.gz ZQDVODBOKNTKHY-MRVPVSSYSA-N 1 0 204.277 1.346 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000084308475 643657780 /nfs/dbraw/zinc/65/77/80/643657780.db2.gz ZDFRYSSBDKFLBN-JGVFFNPUSA-N 1 0 225.317 1.457 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NCC(F)(F)F ZINC000084301471 643658438 /nfs/dbraw/zinc/65/84/38/643658438.db2.gz XBEQKTXWTMBVKG-JGVFFNPUSA-N 1 0 238.253 1.430 10 0 BDAERO CCCc1nsc(NCC2CC([NH3+])C2)n1 ZINC000084447912 643664078 /nfs/dbraw/zinc/66/40/78/643664078.db2.gz LTTTVUJFUGVTTF-UHFFFAOYSA-N 1 0 226.349 1.640 10 0 BDAERO CC(C)Cc1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 ZINC000085007806 643677612 /nfs/dbraw/zinc/67/76/12/643677612.db2.gz NFSWYVULZJXHHS-RKDXNWHRSA-N 1 0 209.293 1.863 10 0 BDAERO CCN(c1ccncc1Cl)[C@H]1CC[NH2+]C1 ZINC000086839903 644186031 /nfs/dbraw/zinc/18/60/31/644186031.db2.gz QESXYQOUBDJKIB-VIFPVBQESA-N 1 0 225.723 1.923 10 0 BDAERO CCN(c1nc(C(C)C)ns1)[C@H]1CC[NH2+]C1 ZINC000083670672 644406582 /nfs/dbraw/zinc/40/65/82/644406582.db2.gz GKENDPBGRBYKGJ-VIFPVBQESA-N 1 0 240.376 1.850 10 0 BDAERO CCc1nn(C)c(COC2C[NH2+]C2)c1Cl ZINC000084281344 644423713 /nfs/dbraw/zinc/42/37/13/644423713.db2.gz QLRPRDWOGUQNIV-UHFFFAOYSA-N 1 0 229.711 1.124 10 0 BDAERO Cc1cc2c(nc(C)nc2N2CC[NH2+]CC2)s1 ZINC000084574401 644428560 /nfs/dbraw/zinc/42/85/60/644428560.db2.gz VWNDEIDQAAEPBT-UHFFFAOYSA-N 1 0 248.355 1.718 10 0 BDAERO CC[C@H](C)c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000087506961 644497742 /nfs/dbraw/zinc/49/77/42/644497742.db2.gz JFQYILKOURKRPB-IUCAKERBSA-N 1 0 225.292 1.114 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)cc1 ZINC000089090940 644534378 /nfs/dbraw/zinc/53/43/78/644534378.db2.gz ZXNDHEMZEJQFSF-YPMHNXCESA-N 1 0 248.326 1.178 10 0 BDAERO CC[C@H](COC)NC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089400578 644548993 /nfs/dbraw/zinc/54/89/93/644548993.db2.gz WODVBLBEXVNCAY-UTUOFQBUSA-N 1 0 242.363 1.293 10 0 BDAERO COc1ncccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091542039 644629064 /nfs/dbraw/zinc/62/90/64/644629064.db2.gz YXEOWFLQPGAXKI-IUCAKERBSA-N 1 0 235.287 1.156 10 0 BDAERO Cc1cc(C(=O)NCC2CC([NH3+])C2)ccc1F ZINC000091525915 644629476 /nfs/dbraw/zinc/62/94/76/644629476.db2.gz UWHDXJUQKMTVQS-UHFFFAOYSA-N 1 0 236.290 1.601 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C)nc2)C1 ZINC000092052729 644645939 /nfs/dbraw/zinc/64/59/39/644645939.db2.gz KCUIMRIIYXCSBJ-AWEZNQCLSA-N 1 0 249.358 1.200 10 0 BDAERO CCOc1ccc(N[C@@H]2CC[NH2+]C2)cc1CO ZINC000094087850 644708439 /nfs/dbraw/zinc/70/84/39/644708439.db2.gz HAQWLRVFIJATEA-GFCCVEGCSA-N 1 0 236.315 1.351 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1C ZINC000094996814 644738028 /nfs/dbraw/zinc/73/80/28/644738028.db2.gz BHVSGIOQPOFVOH-GZMMTYOYSA-N 1 0 238.287 1.224 10 0 BDAERO c1ccc(N2CCC[C@H]3[NH2+]CC[C@H]32)nc1 ZINC000250239589 644749586 /nfs/dbraw/zinc/74/95/86/644749586.db2.gz HWHWVSCHTIJKBA-GHMZBOCLSA-N 1 0 203.289 1.412 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1cc(C)ccc1F ZINC000095638422 644761428 /nfs/dbraw/zinc/76/14/28/644761428.db2.gz QWUYNGSCBYCRED-JTQLQIEISA-N 1 0 211.236 1.697 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(C)cc1F ZINC000095638395 644761610 /nfs/dbraw/zinc/76/16/10/644761610.db2.gz KABFMVKTHYFOEE-JTQLQIEISA-N 1 0 211.236 1.697 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(Cl)c(OC)c1 ZINC000095638547 644762015 /nfs/dbraw/zinc/76/20/15/644762015.db2.gz APNRBYLFIBLXNS-VIFPVBQESA-N 1 0 243.690 1.912 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1c(Cl)cncc1Cl ZINC000095638582 644762079 /nfs/dbraw/zinc/76/20/79/644762079.db2.gz UZJPARCJBAUCCQ-ZETCQYMHSA-N 1 0 249.097 1.951 10 0 BDAERO C[C@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)[C@H]1CCCO1 ZINC000251540229 644809191 /nfs/dbraw/zinc/80/91/91/644809191.db2.gz KVZQQWBOVQIZPG-HBNTYKKESA-N 1 0 242.363 1.434 10 0 BDAERO CC(C)(C)Cc1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000096877283 644845151 /nfs/dbraw/zinc/84/51/51/644845151.db2.gz CEFOMJYESSIAOZ-SECBINFHSA-N 1 0 239.319 1.189 10 0 BDAERO Cc1cn(C)nc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000724008715 711555188 /nfs/dbraw/zinc/55/51/88/711555188.db2.gz AJHPJRHRYOSFSQ-QWRGUYRKSA-N 1 0 223.320 1.074 10 0 BDAERO C[C@@H]1CCC(=O)CN1C[C@@H]1CCC[N@@H+]1C ZINC000725639798 711667472 /nfs/dbraw/zinc/66/74/72/711667472.db2.gz ZNSWADCYFMBBAM-MNOVXSKESA-N 1 0 210.321 1.134 10 0 BDAERO C[C@H]1CCC(=O)CN1C[C@H]1CCCOC1 ZINC000725643669 711668552 /nfs/dbraw/zinc/66/85/52/711668552.db2.gz FVVQSPCULJNPIU-WDEREUQCSA-N 1 0 211.305 1.466 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)C1(C)CC(F)(F)C1 ZINC000720466037 711684323 /nfs/dbraw/zinc/68/43/23/711684323.db2.gz NVPLLDTXNUNMOW-SSDOTTSWSA-N 1 0 220.263 1.146 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=S)NC(C)C)C1 ZINC000136152567 711687684 /nfs/dbraw/zinc/68/76/84/711687684.db2.gz QYEJIRIDPQTQKA-SNVBAGLBSA-N 1 0 229.393 1.343 10 0 BDAERO CC[C@H]([NH2+]C1CC(OC)C1)c1nccn1C ZINC000310026236 711702107 /nfs/dbraw/zinc/70/21/07/711702107.db2.gz PLCFXFYOYVKFEJ-ILDUYXDCSA-N 1 0 223.320 1.638 10 0 BDAERO FC(F)(F)[C@@H]1CC[C@@H](CN[C@@H]2CC[NH2+]C2)O1 ZINC000722387912 711753161 /nfs/dbraw/zinc/75/31/61/711753161.db2.gz ALWRZFJJRVBIBG-VGMNWLOBSA-N 1 0 238.253 1.048 10 0 BDAERO CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H](C)C[C@H](O)C2)C1 ZINC000721904110 711813492 /nfs/dbraw/zinc/81/34/92/711813492.db2.gz OCWLLUWNBBHNMO-FIQHERPVSA-N 1 0 213.321 1.114 10 0 BDAERO C[C@@H](CC[NH2+]CCc1ccccc1)[S@@](C)=O ZINC000229790001 711839011 /nfs/dbraw/zinc/83/90/11/711839011.db2.gz DGMNPRYOPXLKQO-BLLLJJGKSA-N 1 0 239.384 1.976 10 0 BDAERO [NH3+]C1CC(CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC000706195825 712141967 /nfs/dbraw/zinc/14/19/67/712141967.db2.gz DOHFEXWQPHJAKH-ILDUYXDCSA-N 1 0 222.332 1.420 10 0 BDAERO [NH3+]C1CC(C(=O)N[C@@H]2CCCC23CC3)C1 ZINC000706613152 712151119 /nfs/dbraw/zinc/15/11/19/712151119.db2.gz TVSVIVWBHYRTLK-UDNWOFFPSA-N 1 0 208.305 1.173 10 0 BDAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])[C@]12C[C@H]1CCCC2 ZINC000709116588 712209372 /nfs/dbraw/zinc/20/93/72/712209372.db2.gz WBJMRVAPCHNNMM-WGBDABJCSA-N 1 0 224.348 1.809 10 0 BDAERO C[C@H](C[N@@H+]1C[C@H](O)C[C@@H]1CO)CC(C)(C)C ZINC000709190466 712217723 /nfs/dbraw/zinc/21/77/23/712217723.db2.gz TXULTOWBJGOWIG-QJPTWQEYSA-N 1 0 229.364 1.486 10 0 BDAERO CC(C)n1ccnc1CN(C)C[C@@H](C)[NH3+] ZINC000710296834 712251123 /nfs/dbraw/zinc/25/11/23/712251123.db2.gz HAGDZNIRCRJYIS-SNVBAGLBSA-N 1 0 210.325 1.243 10 0 BDAERO OC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000378699954 712358139 /nfs/dbraw/zinc/35/81/39/712358139.db2.gz MUPRKSGDWKAOCI-MCIONIFRSA-N 1 0 241.375 1.632 10 0 BDAERO Cc1cc(N(C)C2(C[NH3+])CCCCC2)ncn1 ZINC000713371710 712459449 /nfs/dbraw/zinc/45/94/49/712459449.db2.gz ZAMNYBTXKNWICD-UHFFFAOYSA-N 1 0 234.347 1.883 10 0 BDAERO CC1(C)CC[C@H](C[N@@H+]2CC[C@H](CCO)C2)OC1 ZINC000713571828 712465435 /nfs/dbraw/zinc/46/54/35/712465435.db2.gz VMOKZSBNWGVVDT-CHWSQXEVSA-N 1 0 241.375 1.896 10 0 BDAERO CC1(C)CC[C@@H](CN2CCC[C@H]2C[NH3+])OC1 ZINC000713592121 712466144 /nfs/dbraw/zinc/46/61/44/712466144.db2.gz MECQLYPAKDZWRL-RYUDHWBXSA-N 1 0 226.364 1.615 10 0 BDAERO [NH3+]C[C@H]1C[C@H](C(=O)NC2CCCCCC2)CO1 ZINC000713914157 712472752 /nfs/dbraw/zinc/47/27/52/712472752.db2.gz WIVHNLAKOHXXPB-CMPLNLGQSA-N 1 0 240.347 1.189 10 0 BDAERO COCC1CC([NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000713926332 712473359 /nfs/dbraw/zinc/47/33/59/712473359.db2.gz FKPNVVYYGCAPLB-PYNQCMFNSA-N 1 0 227.348 1.959 10 0 BDAERO COCC1CC([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000713953030 712474813 /nfs/dbraw/zinc/47/48/13/712474813.db2.gz NWINIWLTAWGPEG-FESBJMALSA-N 1 0 213.321 1.567 10 0 BDAERO CC[C@H]1COC[C@H]1[NH2+]C1CC(COC)C1 ZINC000713983907 712476047 /nfs/dbraw/zinc/47/60/47/712476047.db2.gz GSHLRFDLWIZETO-POSLAHMBSA-N 1 0 213.321 1.426 10 0 BDAERO COCC1CC([NH2+]Cc2cnccc2C)C1 ZINC000714006321 712476802 /nfs/dbraw/zinc/47/68/02/712476802.db2.gz HJKMORLUAKLMKZ-UHFFFAOYSA-N 1 0 220.316 1.905 10 0 BDAERO COCC1CC([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000713996129 712476923 /nfs/dbraw/zinc/47/69/23/712476923.db2.gz QBXYQFUMMYVRGS-MCIGGMRASA-N 1 0 211.305 1.694 10 0 BDAERO CC(C)Cc1noc([C@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714060698 712478062 /nfs/dbraw/zinc/47/80/62/712478062.db2.gz SOSLIHULAILWFD-RKDXNWHRSA-N 1 0 225.292 1.099 10 0 BDAERO C[C@@H]1CCCC[C@H]1C(=O)NCC1CC([NH3+])C1 ZINC000714406283 712484957 /nfs/dbraw/zinc/48/49/57/712484957.db2.gz SGXFVFJLOWRFTC-HBIQZDMRSA-N 1 0 224.348 1.666 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@@H]1CCCO1 ZINC000715079934 712506750 /nfs/dbraw/zinc/50/67/50/712506750.db2.gz BDYUVAMUSHMMIE-VWYCJHECSA-N 1 0 229.320 1.295 10 0 BDAERO CCOc1cc(NC[C@H]2C[C@@H]([NH3+])C2)nc(C)n1 ZINC000715081752 712507173 /nfs/dbraw/zinc/50/71/73/712507173.db2.gz MOHOKSOQGXHWGI-AOOOYVTPSA-N 1 0 236.319 1.333 10 0 BDAERO CCOc1cc(NC[C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000715152076 712512985 /nfs/dbraw/zinc/51/29/85/712512985.db2.gz JAENSWRCCIULGK-DTORHVGOSA-N 1 0 222.292 1.025 10 0 BDAERO [NH3+]CCCCCCC(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000037001056 712528659 /nfs/dbraw/zinc/52/86/59/712528659.db2.gz AOZVDIMRVRRAKN-NWDGAFQWSA-N 1 0 242.363 1.315 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC[C@@H]2CCCS2)C1 ZINC000716056847 712548746 /nfs/dbraw/zinc/54/87/46/712548746.db2.gz ZEUZJCIENPIXGI-MXWKQRLJSA-N 1 0 242.388 1.516 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716741403 712571978 /nfs/dbraw/zinc/57/19/78/712571978.db2.gz QBWLWTLBBFYABL-SFXRXQKFSA-N 1 0 210.321 1.419 10 0 BDAERO NC(=O)C1CC([NH2+]C2CCCCCC2)C1 ZINC000716741440 712572017 /nfs/dbraw/zinc/57/20/17/712572017.db2.gz QTCHUTKJHQDZIH-UHFFFAOYSA-N 1 0 210.321 1.563 10 0 BDAERO Cn1ncnc1-c1ccc(F)c(C[NH3+])c1 ZINC000379815495 712611275 /nfs/dbraw/zinc/61/12/75/712611275.db2.gz QDVLOYBAEMRFCK-UHFFFAOYSA-N 1 0 206.224 1.080 10 0 BDAERO C[C@@H]1C[N@H+](CCCC(C)(F)F)C[C@H]1CO ZINC000718700834 712778248 /nfs/dbraw/zinc/77/82/48/712778248.db2.gz BQQUTVHHWAPVSC-ZJUUUORDSA-N 1 0 221.291 1.982 10 0 BDAERO C[C@@H]1[C@H]([NH2+]C[C@H](O)C(C)(C)C)CCN1C ZINC000719603600 712816179 /nfs/dbraw/zinc/81/61/79/712816179.db2.gz UGBWZPLLHRZSNP-MXWKQRLJSA-N 1 0 214.353 1.076 10 0 BDAERO CC(=O)[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719811555 712823381 /nfs/dbraw/zinc/82/33/81/712823381.db2.gz UNJASDOVNDEBER-NSHDSACASA-N 1 0 238.356 1.987 10 0 BDAERO COCCC[C@@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000720591562 712855958 /nfs/dbraw/zinc/85/59/58/712855958.db2.gz PCEAUQKUUCTUKE-NXEZZACHSA-N 1 0 226.324 1.281 10 0 BDAERO CS[C@@H](C)Cc1nc([C@@H](C)C[NH3+])no1 ZINC000380286689 712861639 /nfs/dbraw/zinc/86/16/39/712861639.db2.gz AQBXRHUXCDNRCB-BQBZGAKWSA-N 1 0 215.322 1.426 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@H]2CCO[C@H]21 ZINC000720892612 712874177 /nfs/dbraw/zinc/87/41/77/712874177.db2.gz JGTVTKGEEWAMKP-LZQZFOIKSA-N 1 0 225.332 1.160 10 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240.738 1.551 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2cccc(F)n2)C1 ZINC000724090411 711560158 /nfs/dbraw/zinc/56/01/58/711560158.db2.gz RANVTZNWJSOKTF-IUCAKERBSA-N 1 0 209.268 1.760 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCN[C@H]2C)C[C@H](C)O1 ZINC000724276841 711573279 /nfs/dbraw/zinc/57/32/79/711573279.db2.gz OSBXQUZKIXUQLA-ZUWCUPBKSA-N 1 0 240.391 1.920 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2cnccn2)C[C@@H](C)O1 ZINC000724307184 711573936 /nfs/dbraw/zinc/57/39/36/711573936.db2.gz FNUYFGITYAKXGT-GHMZBOCLSA-N 1 0 235.331 1.770 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CO ZINC000724398601 711578136 /nfs/dbraw/zinc/57/81/36/711578136.db2.gz YSFNDNIFHGMLEH-DGTMBMJNSA-N 1 0 241.375 1.750 10 0 BDAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000309342547 711675158 /nfs/dbraw/zinc/67/51/58/711675158.db2.gz LBBNQGSLCSYQBP-FVCCEPFGSA-N 1 0 227.348 1.695 10 0 BDAERO COC[C@@H](C[N@@H+]1CCC[C@H]1CN)C(C)C ZINC000721709215 711707215 /nfs/dbraw/zinc/70/72/15/711707215.db2.gz 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ZINC000712509671 712432316 /nfs/dbraw/zinc/43/23/16/712432316.db2.gz JLWCFLFRCBATKE-JTQLQIEISA-N 1 0 213.321 1.449 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]CCn2cnnn2)cc1F ZINC000712603922 712437050 /nfs/dbraw/zinc/43/70/50/712437050.db2.gz HLAWGEXUCATPPP-SNVBAGLBSA-N 1 0 249.293 1.471 10 0 BDAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCO[C@@H]1C ZINC000712992539 712450701 /nfs/dbraw/zinc/45/07/01/712450701.db2.gz YFMFEUKAGBGKSY-VWYCJHECSA-N 1 0 242.363 1.290 10 0 BDAERO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1O ZINC000713049850 712451986 /nfs/dbraw/zinc/45/19/86/712451986.db2.gz OAIJINFXQNGVRH-NDBYEHHHSA-N 1 0 241.375 1.941 10 0 BDAERO C=C/C=C\CC[NH2+]Cc1c(C)nn(C)c1OC ZINC000713499754 712463618 /nfs/dbraw/zinc/46/36/18/712463618.db2.gz UQUYHRPZPZATNX-SREVYHEPSA-N 1 0 235.331 1.959 10 0 BDAERO CN(C(=O)[C@H]1CO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000713792751 712472269 /nfs/dbraw/zinc/47/22/69/712472269.db2.gz JTXOYMBVLQBZQJ-ZYHUDNBSSA-N 1 0 234.299 1.013 10 0 BDAERO Cc1ccccc1NC(=O)[C@H]1CO[C@H](C[NH3+])C1 ZINC000713791956 712472298 /nfs/dbraw/zinc/47/22/98/712472298.db2.gz HNEPADSDPKJZBJ-MNOVXSKESA-N 1 0 234.299 1.297 10 0 BDAERO CCn1nccc1C[NH2+]C1CC(COC)C1 ZINC000713916995 712472847 /nfs/dbraw/zinc/47/28/47/712472847.db2.gz MKKCESXTDZFPQF-UHFFFAOYSA-N 1 0 223.320 1.418 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCCN[C@H]2C)C1 ZINC000713976393 712475696 /nfs/dbraw/zinc/47/56/96/712475696.db2.gz FJQPJWPNDMHTTK-WNYYMSAVSA-N 1 0 212.337 1.142 10 0 BDAERO [NH3+][C@H]1CCN(C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC000713989655 712476389 /nfs/dbraw/zinc/47/63/89/712476389.db2.gz QLMZORYYWDHCJO-IUCAKERBSA-N 1 0 232.274 1.372 10 0 BDAERO COCC1CC([NH2+]Cc2nccs2)C1 ZINC000713987409 712476398 /nfs/dbraw/zinc/47/63/98/712476398.db2.gz ZFQCMUQEKZPXBC-UHFFFAOYSA-N 1 0 212.318 1.658 10 0 BDAERO COCC1CC(NC(=O)c2cccc(C[NH3+])c2)C1 ZINC000714009259 712477463 /nfs/dbraw/zinc/47/74/63/712477463.db2.gz NJOCVTTYPPRXFT-UHFFFAOYSA-N 1 0 248.326 1.300 10 0 BDAERO Cc1occc1-c1noc([C@@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714061528 712477705 /nfs/dbraw/zinc/47/77/05/712477705.db2.gz CXNUJHMMFIUQNJ-DTWKUNHWSA-N 1 0 249.270 1.469 10 0 BDAERO CC(C)(C)c1noc([C@@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714073955 712477978 /nfs/dbraw/zinc/47/79/78/712477978.db2.gz BGFGOIYVWPIWJG-YUMQZZPRSA-N 1 0 225.292 1.198 10 0 BDAERO CC1(C)CCC[C@H](CN2CCC[C@H]2C[NH3+])O1 ZINC000714350998 712483269 /nfs/dbraw/zinc/48/32/69/712483269.db2.gz WPHKUZMLCBDLSC-NWDGAFQWSA-N 1 0 226.364 1.757 10 0 BDAERO CCCn1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)nn1 ZINC000714404993 712484990 /nfs/dbraw/zinc/48/49/90/712484990.db2.gz UJNOLBNGCMFGNY-PWSUYJOCSA-N 1 0 238.335 1.345 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C(=O)NCC1CC([NH3+])C1 ZINC000714406291 712485072 /nfs/dbraw/zinc/48/50/72/712485072.db2.gz SGXFVFJLOWRFTC-YYJSSNLHSA-N 1 0 224.348 1.666 10 0 BDAERO CCCn1cc(C[NH2+]C2CC(COC)C2)nn1 ZINC000714453957 712490104 /nfs/dbraw/zinc/49/01/04/712490104.db2.gz AFHCQLFKTKCHMX-UHFFFAOYSA-N 1 0 238.335 1.203 10 0 BDAERO C[C@@H]1COCCN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000036757501 712494218 /nfs/dbraw/zinc/49/42/18/712494218.db2.gz XILXUAMRBXUOIG-VXGBXAGGSA-N 1 0 240.347 1.014 10 0 BDAERO CC1(C)C[C@@H]1c1noc([C@@H]2C[C@@H]2C[NH3+])n1 ZINC000714812606 712498461 /nfs/dbraw/zinc/49/84/61/712498461.db2.gz RYALDFSAKKVWTB-BWZBUEFSSA-N 1 0 207.277 1.645 10 0 BDAERO CC(C)Oc1cc(NC[C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000715080851 712507240 /nfs/dbraw/zinc/50/72/40/712507240.db2.gz GGVWWEXLGLNTLL-AOOOYVTPSA-N 1 0 236.319 1.413 10 0 BDAERO CCOC(=O)c1ccc(NCC2CC([NH3+])C2)nc1 ZINC000715110379 712509461 /nfs/dbraw/zinc/50/94/61/712509461.db2.gz RINAIBFBICTNFU-UHFFFAOYSA-N 1 0 249.314 1.408 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ncncc2Cl)C1 ZINC000715113724 712509868 /nfs/dbraw/zinc/50/98/68/712509868.db2.gz JOMDZXFNWDRXNL-KNVOCYPGSA-N 1 0 212.684 1.279 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2nccc3occc32)C1 ZINC000715146211 712512221 /nfs/dbraw/zinc/51/22/21/712512221.db2.gz KLLGMFDEIPYCBH-DTORHVGOSA-N 1 0 217.272 1.977 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ncnc3sccc32)C1 ZINC000715151217 712512969 /nfs/dbraw/zinc/51/29/69/712512969.db2.gz BSCJZQLCCVVFIY-OCAPTIKFSA-N 1 0 234.328 1.841 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715399944 712516214 /nfs/dbraw/zinc/51/62/14/712516214.db2.gz GMYVAWWTMZTUFJ-GARJFASQSA-N 1 0 249.301 1.361 10 0 BDAERO CC(C)(C)[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715388709 712522335 /nfs/dbraw/zinc/52/23/35/712522335.db2.gz NFQOSGSVBWOXKS-HRDYMLBCSA-N 1 0 219.275 1.590 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715498917 712523717 /nfs/dbraw/zinc/52/37/17/712523717.db2.gz WAEPSMRSMFKTBI-REWJHTLYSA-N 1 0 239.359 1.837 10 0 BDAERO CC(C)(O)C[NH2+]CC[C@@H]1CCCS1 ZINC000715804060 712533749 /nfs/dbraw/zinc/53/37/49/712533749.db2.gz BVAXMXNUKDXJNA-VIFPVBQESA-N 1 0 203.351 1.633 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1cn(C)nn1 ZINC000715919501 712542226 /nfs/dbraw/zinc/54/22/26/712542226.db2.gz HASHDKNTELZJQX-OPRDCNLKSA-N 1 0 240.376 1.750 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCCSCC1)c1cn(C)nn1 ZINC000715939414 712544319 /nfs/dbraw/zinc/54/43/19/712544319.db2.gz ZFZZIQUVXGNJPO-NXEZZACHSA-N 1 0 240.376 1.751 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCCC1CC1 ZINC000716349852 712555810 /nfs/dbraw/zinc/55/58/10/712555810.db2.gz GXQLZXPMZKBWJK-ZYHUDNBSSA-N 1 0 224.348 1.538 10 0 BDAERO CC(C)(O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716399227 712558316 /nfs/dbraw/zinc/55/83/16/712558316.db2.gz PSYQCVPGGWJQAE-UHFFFAOYSA-N 1 0 215.337 1.240 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000716565666 712563688 /nfs/dbraw/zinc/56/36/88/712563688.db2.gz QGEZUSQQAPRNCC-FOUMNBMASA-N 1 0 236.359 1.537 10 0 BDAERO C(N[C@H]1CC[NH2+]C1)[C@H]1CCC2(CCC2)CO1 ZINC000716592488 712564404 /nfs/dbraw/zinc/56/44/04/712564404.db2.gz FDXVQLVZPFQXMK-NWDGAFQWSA-N 1 0 224.348 1.287 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000716723864 712571309 /nfs/dbraw/zinc/57/13/09/712571309.db2.gz RSQUUTABHUBIRR-RUXDESIVSA-N 1 0 244.338 1.991 10 0 BDAERO CC[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000716758596 712572499 /nfs/dbraw/zinc/57/24/99/712572499.db2.gz AFIHABVDNKUXGJ-ZYGVAYEYSA-N 1 0 224.348 1.809 10 0 BDAERO FC1(F)CC[NH2+]C[C@H]1CNc1cnccn1 ZINC000717013432 712604622 /nfs/dbraw/zinc/60/46/22/712604622.db2.gz NZYHHPFVGVTYBM-QMMMGPOBSA-N 1 0 228.246 1.133 10 0 BDAERO [NH3+][C@H]1CN(c2ccccn2)CC[C@@H]1C(F)(F)F ZINC000717127277 712633988 /nfs/dbraw/zinc/63/39/88/712633988.db2.gz LOPAZWWIIPATOK-IUCAKERBSA-N 1 0 245.248 1.798 10 0 BDAERO CCCCCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000379957611 712636490 /nfs/dbraw/zinc/63/64/90/712636490.db2.gz VWVPJPFVSMKXGU-QWRGUYRKSA-N 1 0 212.337 1.823 10 0 BDAERO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC000717275706 712642226 /nfs/dbraw/zinc/64/22/26/712642226.db2.gz CBZINSVRVIAPDB-QMTHXVAHSA-N 1 0 246.310 1.066 10 0 BDAERO CC(C)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000380062918 712684555 /nfs/dbraw/zinc/68/45/55/712684555.db2.gz HGSQWBCXSGDOAO-MNOVXSKESA-N 1 0 210.321 1.053 10 0 BDAERO COC1CC([NH2+]Cc2c(Cl)cnn2C)C1 ZINC000380169158 712705257 /nfs/dbraw/zinc/70/52/57/712705257.db2.gz GFLXBWLVUQCGIH-UHFFFAOYSA-N 1 0 229.711 1.341 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2cc(C)co2)C1 ZINC000718069019 712740918 /nfs/dbraw/zinc/74/09/18/712740918.db2.gz AQBYXWAUINUWPU-NSHDSACASA-N 1 0 208.305 1.772 10 0 BDAERO [NH3+]C1CC(Cc2nc(CC3CCC3)no2)C1 ZINC000718096813 712743001 /nfs/dbraw/zinc/74/30/01/712743001.db2.gz FOLDDIYHAWGOPQ-UHFFFAOYSA-N 1 0 221.304 1.692 10 0 BDAERO Cc1coc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000718468311 712764266 /nfs/dbraw/zinc/76/42/66/712764266.db2.gz SQYFDFNWJJHRCG-BDAKNGLRSA-N 1 0 208.261 1.007 10 0 BDAERO Cc1coc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000718537966 712771540 /nfs/dbraw/zinc/77/15/40/712771540.db2.gz ADEUCZMDJGZSMZ-ZETCQYMHSA-N 1 0 236.193 1.207 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000718757472 712780475 /nfs/dbraw/zinc/78/04/75/712780475.db2.gz AQRCIRZSSCMDEY-NOOOWODRSA-N 1 0 215.337 1.693 10 0 BDAERO CO[C@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)CC1 ZINC000718804259 712783493 /nfs/dbraw/zinc/78/34/93/712783493.db2.gz ZJWAMBZEXGPWBP-KPFVRQRISA-N 1 0 227.348 1.695 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000718808946 712783602 /nfs/dbraw/zinc/78/36/02/712783602.db2.gz CYFADYSBNLUEHQ-RNJOBUHISA-N 1 0 243.347 1.074 10 0 BDAERO [NH3+]C[C@H]1CCN(c2ccnc3ncccc23)C1 ZINC000718929464 712788246 /nfs/dbraw/zinc/78/82/46/712788246.db2.gz IHUFRVPFVKATOT-SNVBAGLBSA-N 1 0 228.299 1.415 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCCC(C)(C)COC ZINC000718935410 712789199 /nfs/dbraw/zinc/78/91/99/712789199.db2.gz RCLHWGMZRGMXHS-JTQLQIEISA-N 1 0 230.352 1.293 10 0 BDAERO c1cnc2nccc(N3CCC[NH2+]CC3)c2c1 ZINC000718982412 712791540 /nfs/dbraw/zinc/79/15/40/712791540.db2.gz UOIGAPLAQMSMKB-UHFFFAOYSA-N 1 0 228.299 1.430 10 0 BDAERO C[C@@H](C[NH3+])N(C)c1ccnc2ncccc12 ZINC000718988117 712792327 /nfs/dbraw/zinc/79/23/27/712792327.db2.gz YNDCDFHRABSJEI-VIFPVBQESA-N 1 0 216.288 1.413 10 0 BDAERO [NH3+][C@H]1CCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000719102499 712796870 /nfs/dbraw/zinc/79/68/70/712796870.db2.gz QYAFVGILLDVKMT-NEPJUHHUSA-N 1 0 222.332 1.683 10 0 BDAERO CO[C@]1(C[NH2+]C[C@@H](O)C(C)(C)C)CCSC1 ZINC000719241421 712801647 /nfs/dbraw/zinc/80/16/47/712801647.db2.gz PDQGXRWNEJXDQT-PWSUYJOCSA-N 1 0 247.404 1.505 10 0 BDAERO OC1(C[NH2+]CC[C@@H]2CCCO2)CCCCC1 ZINC000038096761 712808062 /nfs/dbraw/zinc/80/80/62/712808062.db2.gz OSFKIRGXUWPVKY-LBPRGKRZSA-N 1 0 227.348 1.840 10 0 BDAERO C[NH2+]CCCCC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000719713853 712823460 /nfs/dbraw/zinc/82/34/60/712823460.db2.gz CAVBVDGYIIBDFT-WDEREUQCSA-N 1 0 228.336 1.060 10 0 BDAERO OC1(C[NH2+]CCCCC2CC2)CCOCC1 ZINC000720107741 712828079 /nfs/dbraw/zinc/82/80/79/712828079.db2.gz QZONOOXESILXDN-UHFFFAOYSA-N 1 0 227.348 1.698 10 0 BDAERO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000720184414 712828722 /nfs/dbraw/zinc/82/87/22/712828722.db2.gz LCKUGVBOUZSUOY-GHMZBOCLSA-N 1 0 247.379 1.566 10 0 BDAERO Cc1conc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000720378519 712837216 /nfs/dbraw/zinc/83/72/16/712837216.db2.gz HPFIWZVBAFZRAK-HBNTYKKESA-N 1 0 221.304 1.152 10 0 BDAERO CC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC(F)(F)C1 ZINC000720470450 712845467 /nfs/dbraw/zinc/84/54/67/712845467.db2.gz CQTGFPBLQZGUMK-RKDXNWHRSA-N 1 0 246.301 1.665 10 0 BDAERO CCC[C@@H](C)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000720573723 712852907 /nfs/dbraw/zinc/85/29/07/712852907.db2.gz GHZYSGKVTUZMQH-NXEZZACHSA-N 1 0 210.325 1.902 10 0 BDAERO CSC(C)(C)CC[NH2+][C@H](C)c1cn(C)nn1 ZINC000720591540 712855771 /nfs/dbraw/zinc/85/57/71/712855771.db2.gz ORGCUVPTZAURRT-SECBINFHSA-N 1 0 242.392 1.997 10 0 BDAERO CC[C@H]([NH2+][C@H](C)c1cn(C)nn1)[C@@H]1C[C@H]1C ZINC000720603701 712857898 /nfs/dbraw/zinc/85/78/98/712857898.db2.gz UYQPPYRWAXQQST-DBIOUOCHSA-N 1 0 222.336 1.900 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H](C)[C@H]2CCCO2)n1 ZINC000720613508 712858890 /nfs/dbraw/zinc/85/88/90/712858890.db2.gz WHXMTDRXSQTYQB-HRDYMLBCSA-N 1 0 225.292 1.414 10 0 BDAERO C[NH2+]CCN(c1ncc(C)c(C)n1)C(C)C ZINC000720825552 712868252 /nfs/dbraw/zinc/86/82/52/712868252.db2.gz ZOHHVGSRSISXLD-UHFFFAOYSA-N 1 0 222.336 1.528 10 0 BDAERO CC(C)[C@@H](C)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720880690 712873915 /nfs/dbraw/zinc/87/39/15/712873915.db2.gz SDFNPIPWBLMACQ-IWSPIJDZSA-N 1 0 224.270 1.852 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ncccn1 ZINC000721061166 712889312 /nfs/dbraw/zinc/88/93/12/712889312.db2.gz IGVWENYEWJIKHT-NXEZZACHSA-N 1 0 206.293 1.134 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccncc1Cl ZINC000721074770 712890147 /nfs/dbraw/zinc/89/01/47/712890147.db2.gz MVVAOTDAHQLDGD-NXEZZACHSA-N 1 0 239.750 1.814 10 0 BDAERO CCO[C@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000721146537 712892815 /nfs/dbraw/zinc/89/28/15/712892815.db2.gz GOQTXZBDDYJZQP-ADPBJBESSA-N 1 0 240.347 1.188 10 0 BDAERO C[NH+](C)C1(C)CC[NH+]([C@@H](C(=O)[O-])C2CC2)CC1 ZINC000709788289 955013702 /nfs/dbraw/zinc/01/37/02/955013702.db2.gz ZLTPINAEGPSSIO-LLVKDONJSA-N 1 0 240.347 1.266 10 0 BDAERO C[NH+]1CCC(C[NH2+][C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC000395624944 972814179 /nfs/dbraw/zinc/81/41/79/972814179.db2.gz JDZYQEABHPJQQH-LLVKDONJSA-N 1 0 242.363 1.417 10 0 BDAERO CC[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCCSC2 ZINC000685953401 538897722 /nfs/dbraw/zinc/89/77/22/538897722.db2.gz GYASZIBAZWSENH-ZJUUUORDSA-N 1 0 200.351 1.305 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H]([NH2+]CC)[C@@H](C)C1 ZINC000685954935 538899899 /nfs/dbraw/zinc/89/98/99/538899899.db2.gz QORWKTXIGCLVMW-TUAOUCFPSA-N 1 0 247.404 1.978 10 0 BDAERO CC(C)[C@@H]1CC[C@@H](S(C)(=O)=O)[C@@H](C[NH3+])C1 ZINC000685955337 538900627 /nfs/dbraw/zinc/90/06/27/538900627.db2.gz XVOIAEGMDFVTFO-GMTAPVOTSA-N 1 0 233.377 1.431 10 0 BDAERO CNCC(F)(F)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000685955609 538901066 /nfs/dbraw/zinc/90/10/66/538901066.db2.gz KXCPYJYGMWCVIE-RKDXNWHRSA-N 1 0 204.264 1.183 10 0 BDAERO CC(C)c1cnn(CC(F)(F)C[NH3+])c1 ZINC000685956832 538901397 /nfs/dbraw/zinc/90/13/97/538901397.db2.gz LAQHUEPBZKQYQT-UHFFFAOYSA-N 1 0 203.236 1.601 10 0 BDAERO CNCC(F)(F)CN1C[C@H]2CCC[C@H]21 ZINC000685956876 538901560 /nfs/dbraw/zinc/90/15/60/538901560.db2.gz LWJJRQKCNJPDMK-RKDXNWHRSA-N 1 0 204.264 1.325 10 0 BDAERO Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000062055498 349436678 /nfs/dbraw/zinc/43/66/78/349436678.db2.gz APKGNCNFPLXMNO-LBPRGKRZSA-N 1 0 247.342 1.396 10 0 BDAERO CNCC(F)(F)COC[C@H](C)CSC ZINC000685957011 538903762 /nfs/dbraw/zinc/90/37/62/538903762.db2.gz PLGYGZWWNJINFC-QMMMGPOBSA-N 1 0 227.320 1.857 10 0 BDAERO CC(C)[NH2+]CC[C@@H](CO)[C@@H]1CCCOC1 ZINC000685960739 538908249 /nfs/dbraw/zinc/90/82/49/538908249.db2.gz AYZHNKKNJWYNFI-NWDGAFQWSA-N 1 0 215.337 1.410 10 0 BDAERO CC(C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685961868 538909197 /nfs/dbraw/zinc/90/91/97/538909197.db2.gz OWUDPCLDQKZFNA-ZDUSSCGKSA-N 1 0 234.343 1.671 10 0 BDAERO Cc1cc(C)n(CC[C@H]2CCCC[NH2+]2)c(=O)n1 ZINC000041631038 177929905 /nfs/dbraw/zinc/92/99/05/177929905.db2.gz RKPVCJVABMAORW-GFCCVEGCSA-N 1 0 235.331 1.392 10 0 BDAERO CC(C)(C)[NH2+]CC[C@@H](CO)[C@H]1CCCOC1 ZINC000685963067 538910266 /nfs/dbraw/zinc/91/02/66/538910266.db2.gz GAHQVVVHMCOENC-RYUDHWBXSA-N 1 0 229.364 1.800 10 0 BDAERO c1ncc(-c2cnnn2[C@@H]2CCC[NH2+]C2)s1 ZINC000685952158 538896559 /nfs/dbraw/zinc/89/65/59/538896559.db2.gz XTXNBLNLBFDBQG-MRVPVSSYSA-N 1 0 235.316 1.326 10 0 BDAERO c1csc(-c2cnnn2C2CC[NH2+]CC2)c1 ZINC000685952825 538896920 /nfs/dbraw/zinc/89/69/20/538896920.db2.gz QLLZARUFLQRUJN-UHFFFAOYSA-N 1 0 234.328 1.931 10 0 BDAERO O=C(Nc1nc2c(s1)CCC2)[C@H]1CC[NH2+]C1 ZINC000062116507 349438434 /nfs/dbraw/zinc/43/84/34/349438434.db2.gz ZUAXWMYUKRSGOS-ZETCQYMHSA-N 1 0 237.328 1.180 10 0 BDAERO Nc1cn(Cc2cc(F)cc(F)c2)cn1 ZINC000685964210 538911049 /nfs/dbraw/zinc/91/10/49/538911049.db2.gz OLCURQYLCPRZRU-UHFFFAOYSA-N 1 0 209.199 1.792 10 0 BDAERO COc1ccc(C)cc1[C@@H]1C[NH2+]C[C@@]1(C)N ZINC000685965455 538911827 /nfs/dbraw/zinc/91/18/27/538911827.db2.gz FBNBZMICKOGSKM-WCQYABFASA-N 1 0 220.316 1.408 10 0 BDAERO COc1ccc(C)cc1[C@H]1C[NH2+]C[C@]1(C)N ZINC000685965456 538911916 /nfs/dbraw/zinc/91/19/16/538911916.db2.gz FBNBZMICKOGSKM-YPMHNXCESA-N 1 0 220.316 1.408 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@]2(C)N)cc1F ZINC000685965578 538912096 /nfs/dbraw/zinc/91/20/96/538912096.db2.gz JZHVKEAUCVTFQU-BXKDBHETSA-N 1 0 224.279 1.239 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@H]1c1ccccc1C1CC1 ZINC000685965620 538912639 /nfs/dbraw/zinc/91/26/39/538912639.db2.gz LQKPQHUTAAIGON-KBPBESRZSA-N 1 0 216.328 1.968 10 0 BDAERO CCCC[NH2+]CC[C@H](CO)[C@H]1CCCOC1 ZINC000685963397 538912741 /nfs/dbraw/zinc/91/27/41/538912741.db2.gz NJDWQMMBAFEWKS-OLZOCXBDSA-N 1 0 229.364 1.801 10 0 BDAERO CCCC[NH2+]CC[C@@H](CO)[C@H]1CCCOC1 ZINC000685963399 538912858 /nfs/dbraw/zinc/91/28/58/538912858.db2.gz NJDWQMMBAFEWKS-STQMWFEESA-N 1 0 229.364 1.801 10 0 BDAERO Cc1cc(CN(C)CC[NH2+]C(C)C)no1 ZINC000163010708 177972437 /nfs/dbraw/zinc/97/24/37/177972437.db2.gz NBFYRGNAAAWSSY-UHFFFAOYSA-N 1 0 211.309 1.413 10 0 BDAERO CCC(CC)(C[NH3+])N1C[C@@H](C)O[C@H](C)C1 ZINC000019427233 168323049 /nfs/dbraw/zinc/32/30/49/168323049.db2.gz FYWFOHBVTJAGJA-GHMZBOCLSA-N 1 0 214.353 1.613 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616612046 349472602 /nfs/dbraw/zinc/47/26/02/349472602.db2.gz MHPVCFRACRUSIW-CYBMUJFWSA-N 1 0 242.326 1.378 10 0 BDAERO CCC(CC)(CO)C[N@H+](C)[C@H]1CCCN(C)C1 ZINC000053249002 168327209 /nfs/dbraw/zinc/32/72/09/168327209.db2.gz PQODJWALQDSERD-ZDUSSCGKSA-N 1 0 242.407 1.811 10 0 BDAERO C[C@@H](NC(=O)N[C@H]1C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000246121929 398146608 /nfs/dbraw/zinc/14/66/08/398146608.db2.gz ADIINZFSLFLEMG-MXWKQRLJSA-N 1 0 241.379 1.670 10 0 BDAERO C[C@@H](CO)[NH2+]CC1CCC(F)(F)CC1 ZINC000161952235 538920166 /nfs/dbraw/zinc/92/01/66/538920166.db2.gz XVLCKYWTRGKOBC-QMMMGPOBSA-N 1 0 207.264 1.782 10 0 BDAERO Cc1cc(CNC2=[NH+][C@H](C)CS2)no1 ZINC000044726656 178018613 /nfs/dbraw/zinc/01/86/13/178018613.db2.gz KEPHFBXFJHZPHL-ZCFIWIBFSA-N 1 0 211.290 1.564 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CO)nn1C ZINC000362013278 178032984 /nfs/dbraw/zinc/03/29/84/178032984.db2.gz JCIXKCMMGBOIOV-DGCLKSJQSA-N 1 0 237.347 1.369 10 0 BDAERO [NH3+]CCN1CCCC[C@@H]1c1ccncc1 ZINC000616615347 398174711 /nfs/dbraw/zinc/17/47/11/398174711.db2.gz WPNWUDKEFYYMGS-GFCCVEGCSA-N 1 0 205.305 1.567 10 0 BDAERO C[C@@]1([C@H]2CCC[NH2+]C2)NCCCS1 ZINC000575517202 398174797 /nfs/dbraw/zinc/17/47/97/398174797.db2.gz IKQVZBDQKBOORL-VHSXEESVSA-N 1 0 200.351 1.429 10 0 BDAERO Cc1cc(CNc2cc(N)cc[nH+]2)no1 ZINC000044691036 178042201 /nfs/dbraw/zinc/04/22/01/178042201.db2.gz DVYVBHLBIBECEH-UHFFFAOYSA-N 1 0 204.233 1.572 10 0 BDAERO Cc1cc(COC2CCOCC2)oc1C[NH3+] ZINC000052597237 178049619 /nfs/dbraw/zinc/04/96/19/178049619.db2.gz KQNABWBYSLGONG-UHFFFAOYSA-N 1 0 225.288 1.742 10 0 BDAERO Cc1cc(C[C@H](C)[NH3+])nc(C(C)(C)C)n1 ZINC000054835027 178056686 /nfs/dbraw/zinc/05/66/86/178056686.db2.gz GFRHYTZQRFJKEW-QMMMGPOBSA-N 1 0 207.321 1.972 10 0 BDAERO Cc1cc(C[C@H](C)[NH3+])nc(N2CCCC2)n1 ZINC000054835530 178056944 /nfs/dbraw/zinc/05/69/44/178056944.db2.gz JIOOHGPJWLQRRY-VIFPVBQESA-N 1 0 220.320 1.275 10 0 BDAERO Cc1cc(Cl)ccc1N1C[C@H](C[NH3+])CC1=O ZINC000019669527 178068014 /nfs/dbraw/zinc/06/80/14/178068014.db2.gz QDUAJCGRMLIZKC-VIFPVBQESA-N 1 0 238.718 1.960 10 0 BDAERO Cc1cc(Cl)ccc1OCC[NH2+]CCO ZINC000057518405 178068696 /nfs/dbraw/zinc/06/86/96/178068696.db2.gz FIRPUYFHBAHXNP-UHFFFAOYSA-N 1 0 229.707 1.609 10 0 BDAERO CC(C)CO[NH+]=C(N)NCc1ccccc1 ZINC000307443810 398167262 /nfs/dbraw/zinc/16/72/62/398167262.db2.gz CPWLWYGEGWQIDY-UHFFFAOYSA-N 1 0 221.304 1.888 10 0 BDAERO Cc1cc(C)c2c(c1)[C@@H](NC(=O)C[NH3+])CCO2 ZINC000083883901 398188251 /nfs/dbraw/zinc/18/82/51/398188251.db2.gz IOPWFTOKSDUWFA-NSHDSACASA-N 1 0 234.299 1.202 10 0 BDAERO Cc1cc(F)ccc1N1CC[C@H]([NH3+])C1=O ZINC000049647641 178088562 /nfs/dbraw/zinc/08/85/62/178088562.db2.gz AOKVJOUEBTZSBR-VIFPVBQESA-N 1 0 208.236 1.198 10 0 BDAERO CC(C)N(C)c1nc2c(s1)C[NH2+]CC2 ZINC000536960688 398199852 /nfs/dbraw/zinc/19/98/52/398199852.db2.gz SLXBTFMRZDTITL-UHFFFAOYSA-N 1 0 211.334 1.633 10 0 BDAERO Cc1cc(N2CC(n3cccn3)C2)cc[nH+]1 ZINC000364322302 178112844 /nfs/dbraw/zinc/11/28/44/178112844.db2.gz FIMSRISKTPMZIQ-UHFFFAOYSA-N 1 0 214.272 1.648 10 0 BDAERO Cc1cc(NC(=O)C2([NH3+])CCCCC2)no1 ZINC000019483888 178125686 /nfs/dbraw/zinc/12/56/86/178125686.db2.gz URSONDLAPBNJRO-UHFFFAOYSA-N 1 0 223.276 1.583 10 0 BDAERO Cc1cc(NC(=O)C2CC[NH2+]CC2)ccc1O ZINC000148466668 178126947 /nfs/dbraw/zinc/12/69/47/178126947.db2.gz CQGSTVVAXNGOBK-UHFFFAOYSA-N 1 0 234.299 1.639 10 0 BDAERO CCOC1CC([NH2+]Cc2ccccn2)C1 ZINC000162835524 538925020 /nfs/dbraw/zinc/92/50/20/538925020.db2.gz PNHFHEMGQADIAM-UHFFFAOYSA-N 1 0 206.289 1.739 10 0 BDAERO Cc1cc(NC(=O)CC[C@H]2CCCC[NH2+]2)n[nH]1 ZINC000104444642 178128845 /nfs/dbraw/zinc/12/88/45/178128845.db2.gz SYAKMEPWJAJXFL-SNVBAGLBSA-N 1 0 236.319 1.579 10 0 BDAERO CC(C)[C@H](CCO)[NH2+]C[C@@H]1CCCN1C ZINC000386375234 398207580 /nfs/dbraw/zinc/20/75/80/398207580.db2.gz ZMPPKLOPPQWGBX-RYUDHWBXSA-N 1 0 214.353 1.077 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)no1 ZINC000019479545 178145270 /nfs/dbraw/zinc/14/52/70/178145270.db2.gz CDXUZFAEOVQQEO-DCAQKATOSA-N 1 0 249.314 1.842 10 0 BDAERO Cc1ccc(N2C[C@@H](C[NH3+])OC2=O)c(C)c1 ZINC000019669047 538927115 /nfs/dbraw/zinc/92/71/15/538927115.db2.gz WBMZXGYLPIOXKQ-SNVBAGLBSA-N 1 0 220.272 1.587 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCCC[NH2+]2)ccn1 ZINC000082248070 178148139 /nfs/dbraw/zinc/14/81/39/178148139.db2.gz KWNBHTKDMGRZBI-LLVKDONJSA-N 1 0 219.288 1.471 10 0 BDAERO Cc1cc(NCC2CC[NH2+]CC2)nc(C)n1 ZINC000044509239 178158772 /nfs/dbraw/zinc/15/87/72/178158772.db2.gz GOGRJRHIVSQUFI-UHFFFAOYSA-N 1 0 220.320 1.505 10 0 BDAERO Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)ccc1N ZINC000037484569 178166509 /nfs/dbraw/zinc/16/65/09/178166509.db2.gz RLQHPBGQMHFOIV-NSHDSACASA-N 1 0 219.332 1.941 10 0 BDAERO Cc1cc(NN)[nH+]c(Nc2ccc(Cl)cc2)n1 ZINC000057331357 178175926 /nfs/dbraw/zinc/17/59/26/178175926.db2.gz UQGOFYWMTOEINZ-UHFFFAOYSA-N 1 0 249.705 1.890 10 0 BDAERO c1cc2cc([C@H]3C[NH2+]CCOC3)ccc2nn1 ZINC000616658687 398222912 /nfs/dbraw/zinc/22/29/12/398222912.db2.gz CAPNHGHCOKLAAV-LBPRGKRZSA-N 1 0 229.283 1.333 10 0 BDAERO CCC(CC)C[N@H+](CC)CC[C@@H](NC)C(N)=O ZINC000062461612 168349112 /nfs/dbraw/zinc/34/91/12/168349112.db2.gz ZJHSOQNDVMPSED-GFCCVEGCSA-N 1 0 243.395 1.208 10 0 BDAERO Cc1cc(N[C@@H]2CCC(=O)N[C@H]2C)cc[nH+]1 ZINC000281646358 178180710 /nfs/dbraw/zinc/18/07/10/178180710.db2.gz MZZNUCJSMPEEKW-GXSJLCMTSA-N 1 0 219.288 1.469 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000382031098 361741466 /nfs/dbraw/zinc/74/14/66/361741466.db2.gz UFXVFISYJVOAKM-VXGBXAGGSA-N 1 0 228.405 1.956 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000382031067 361741971 /nfs/dbraw/zinc/74/19/71/361741971.db2.gz UFXVFISYJVOAKM-NEPJUHHUSA-N 1 0 228.405 1.956 10 0 BDAERO Cc1cc(OCC[NH3+])c2ccccc2n1 ZINC000051870078 178211601 /nfs/dbraw/zinc/21/16/01/178211601.db2.gz DEMXPVIEWCWWLH-UHFFFAOYSA-N 1 0 202.257 1.881 10 0 BDAERO C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000070798707 361758354 /nfs/dbraw/zinc/75/83/54/361758354.db2.gz UBZZTJZRQULCIR-GHMZBOCLSA-N 1 0 214.378 1.423 10 0 BDAERO CCC(CC)CNC(=O)[C@H]([NH3+])C(C)(C)C ZINC000083347993 168357309 /nfs/dbraw/zinc/35/73/09/168357309.db2.gz QCHFIJIAUKHVGY-JTQLQIEISA-N 1 0 214.353 1.912 10 0 BDAERO Cc1cc(SC[C@@H]2CCCC[NH2+]2)n(C)n1 ZINC000052311688 178218932 /nfs/dbraw/zinc/21/89/32/178218932.db2.gz YCVKJOMFCIHRBJ-JTQLQIEISA-N 1 0 225.361 1.963 10 0 BDAERO Cc1cc([C@@H]([NH2+]CC2CC2)C(N)=O)c(C)s1 ZINC000049687619 178237327 /nfs/dbraw/zinc/23/73/27/178237327.db2.gz NIDCFMJSVHDEFH-LLVKDONJSA-N 1 0 238.356 1.891 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000616569721 538938089 /nfs/dbraw/zinc/93/80/89/538938089.db2.gz CMIWWPLTNKHKSF-NXEZZACHSA-N 1 0 210.321 1.385 10 0 BDAERO Cc1cc([C@H]([NH3+])[C@H]2COCCO2)c(C)o1 ZINC000055301205 178262251 /nfs/dbraw/zinc/26/22/51/178262251.db2.gz DABKWGQRZQBYBU-MNOVXSKESA-N 1 0 211.261 1.312 10 0 BDAERO CCN1CCO[C@H](CNc2cc[nH+]cc2C)C1 ZINC000166100130 538938664 /nfs/dbraw/zinc/93/86/64/538938664.db2.gz SVDHWTCPGSDEME-GFCCVEGCSA-N 1 0 235.331 1.523 10 0 BDAERO Cc1cc2c(cc1C)O[C@@H](C1=[NH+]CCN1)C2 ZINC000027637658 178286179 /nfs/dbraw/zinc/28/61/79/178286179.db2.gz HUVWKAGWFHDPCU-GFCCVEGCSA-N 1 0 216.284 1.609 10 0 BDAERO Cc1cc2nnc(CCC(C)(C)[NH3+])n2cn1 ZINC000050196424 178305714 /nfs/dbraw/zinc/30/57/14/178305714.db2.gz KDKDKXQFBGIFBC-UHFFFAOYSA-N 1 0 219.292 1.103 10 0 BDAERO Cc1cc2ncn(CCC(N)=[NH2+])c2cc1C ZINC000019510501 178305754 /nfs/dbraw/zinc/30/57/54/178305754.db2.gz KIXJSOBLHFJNDW-UHFFFAOYSA-N 1 0 216.288 1.979 10 0 BDAERO Cc1cc2nc(CN3CC[NH2+]CC3)[nH]c2cc1C ZINC000051848044 178301974 /nfs/dbraw/zinc/30/19/74/178301974.db2.gz LTVUIUWWLOKCJZ-UHFFFAOYSA-N 1 0 244.342 1.585 10 0 BDAERO CCC1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CCC1 ZINC000175979454 365637592 /nfs/dbraw/zinc/63/75/92/365637592.db2.gz QDEFNJSALKWCKT-LLVKDONJSA-N 1 0 224.348 1.729 10 0 BDAERO Cc1cc2c(o1)CC[C@H](C[NH+](C)C)C2=O ZINC000039105597 178293414 /nfs/dbraw/zinc/29/34/14/178293414.db2.gz OXVCTARYJHOHNX-SECBINFHSA-N 1 0 207.273 1.895 10 0 BDAERO Cc1ccc(-c2nc(C[C@H](C)[NH3+])no2)cn1 ZINC000054161396 178335692 /nfs/dbraw/zinc/33/56/92/178335692.db2.gz RRXVTBFVWXGROA-ZETCQYMHSA-N 1 0 218.260 1.330 10 0 BDAERO Cc1ccc(-c2nnc(CC[NH3+])o2)cc1C ZINC000011585779 178340946 /nfs/dbraw/zinc/34/09/46/178340946.db2.gz QETFWBRCBRQAMI-UHFFFAOYSA-N 1 0 217.272 1.855 10 0 BDAERO CCC(CC)[N@H+](C)CC[C@@H](NC1CC1)C(N)=O ZINC000062448892 168368605 /nfs/dbraw/zinc/36/86/05/168368605.db2.gz JHQRLGKCLAISKY-GFCCVEGCSA-N 1 0 241.379 1.103 10 0 BDAERO Cc1ccc(-n2ccc(C[NH3+])n2)c(F)c1 ZINC000082639741 178346546 /nfs/dbraw/zinc/34/65/46/178346546.db2.gz FDYZKOFUHCJSDV-UHFFFAOYSA-N 1 0 205.236 1.779 10 0 BDAERO CC[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000381553652 398263124 /nfs/dbraw/zinc/26/31/24/398263124.db2.gz NTVOXPMVARDQNL-ZRUFSTJUSA-N 1 0 210.321 1.003 10 0 BDAERO CCC(CC)N(CCO)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042526141 168371409 /nfs/dbraw/zinc/37/14/09/168371409.db2.gz JWDJEFKMAYEAKE-NSHDSACASA-N 1 0 242.363 1.138 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@@H](C)C[NH3+])cc1 ZINC000042454924 178377813 /nfs/dbraw/zinc/37/78/13/178377813.db2.gz VLWCWUMZIJNISD-NSHDSACASA-N 1 0 220.316 1.662 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@H](C)C[NH3+])o1 ZINC000042455223 178378272 /nfs/dbraw/zinc/37/82/72/178378272.db2.gz LKGGCFFEBKPDMB-MRVPVSSYSA-N 1 0 210.277 1.255 10 0 BDAERO CCC(CC)[N@H+](CCOC)CC(C)(C)O ZINC000042681128 168373576 /nfs/dbraw/zinc/37/35/76/168373576.db2.gz DNHMEZABJDVOPL-UHFFFAOYSA-N 1 0 217.353 1.894 10 0 BDAERO Cc1ccc(C(N)=[NH2+])c(N(C)CC2CCC2)n1 ZINC000061458385 178368296 /nfs/dbraw/zinc/36/82/96/178368296.db2.gz TYALCWCLVQADPN-UHFFFAOYSA-N 1 0 232.331 1.910 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2cccc3ccnnc32)C1 ZINC000616612601 349585049 /nfs/dbraw/zinc/58/50/49/349585049.db2.gz WEFKZUJDUDJHKK-GFCCVEGCSA-N 1 0 242.326 1.378 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cccn1 ZINC000113271373 398275964 /nfs/dbraw/zinc/27/59/64/398275964.db2.gz YSEXPAIWCOZECF-CHWSQXEVSA-N 1 0 234.347 1.052 10 0 BDAERO C[N@@H+]1CC[C@@H](c2ccccc2C(N)=O)C1 ZINC000616613129 349614358 /nfs/dbraw/zinc/61/43/58/349614358.db2.gz NBHMUCZRKYRURQ-SECBINFHSA-N 1 0 204.273 1.205 10 0 BDAERO COc1ccc([C@H](O)[C@H]2CCCC[NH2+]2)cc1 ZINC000001644083 342706945 /nfs/dbraw/zinc/70/69/45/342706945.db2.gz LVNIMCPYSKQYIW-OLZOCXBDSA-N 1 0 221.300 1.871 10 0 BDAERO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)s1 ZINC000189106884 346859494 /nfs/dbraw/zinc/85/94/94/346859494.db2.gz JUVMWTNEANYOET-JTQLQIEISA-N 1 0 238.356 1.767 10 0 BDAERO O=C1CCC[C@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@H]34 ZINC000004196458 342743629 /nfs/dbraw/zinc/74/36/29/342743629.db2.gz ZSBXGIUJOOQZMP-SFDCQRBFSA-N 1 0 248.370 1.872 10 0 biogenic,in-vitro BDAERO COCC[NH2+][C@H]1CCC[C@H]2CCCC[C@@]21O ZINC000144620907 342748099 /nfs/dbraw/zinc/74/80/99/342748099.db2.gz DIWATIBEUKLAEA-FRRDWIJNSA-N 1 0 227.348 1.696 10 0 BDAERO CCC(CC)NC(=O)[C@H](C)OC[C@H]1CCC[NH2+]1 ZINC000051816318 168384693 /nfs/dbraw/zinc/38/46/93/168384693.db2.gz KKTXBGPFEPMJJZ-CMPLNLGQSA-N 1 0 242.363 1.448 10 0 BDAERO Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cn1 ZINC000038048999 178431700 /nfs/dbraw/zinc/43/17/00/178431700.db2.gz QDKUHXZBYXWCGL-NEPJUHHUSA-N 1 0 233.315 1.390 10 0 BDAERO [NH3+]Cc1ccc(N2CCSCC2)nc1 ZINC000035719754 342757967 /nfs/dbraw/zinc/75/79/67/342757967.db2.gz HEVXDSXIWYTJNQ-UHFFFAOYSA-N 1 0 209.318 1.094 10 0 BDAERO Cc1nn(-c2cc[nH+]cc2)c(C)c1C=O ZINC000035779353 342758614 /nfs/dbraw/zinc/75/86/14/342758614.db2.gz BXUQSHKDKXGSNN-UHFFFAOYSA-N 1 0 201.229 1.697 10 0 BDAERO CCC[C@H]([NH3+])c1ccc(S(C)(=O)=O)nc1 ZINC000147235529 342774094 /nfs/dbraw/zinc/77/40/94/342774094.db2.gz ZONZFSMXMQNIDP-VIFPVBQESA-N 1 0 228.317 1.285 10 0 BDAERO CC1(C)C[NH2+]CC[C@@]1(O)c1ccccc1 ZINC000147279074 342774505 /nfs/dbraw/zinc/77/45/05/342774505.db2.gz ICNKPLCQLJDULO-CYBMUJFWSA-N 1 0 205.301 1.894 10 0 BDAERO CCSCC[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309678435 342783127 /nfs/dbraw/zinc/78/31/27/342783127.db2.gz YSOXYHDKJSLUKP-JQWIXIFHSA-N 1 0 244.404 1.586 10 0 BDAERO C[S@@](=O)(=NC#N)c1ccc(C[NH3+])c(F)c1 ZINC000148830305 342792497 /nfs/dbraw/zinc/79/24/97/342792497.db2.gz KJGMAYRMDSQTDO-HNNXBMFYSA-N 1 0 227.264 1.222 10 0 BDAERO OCCCc1ccc(N2CCC[NH2+]CC2)cc1 ZINC000149959637 342794521 /nfs/dbraw/zinc/79/45/21/342794521.db2.gz QUCBUHZTNQUCTQ-UHFFFAOYSA-N 1 0 234.343 1.411 10 0 BDAERO CC1(C)C[N@H+](CCC2(O)CC2)[C@@H]2CCC[C@H]2O1 ZINC000336610839 342812547 /nfs/dbraw/zinc/81/25/47/342812547.db2.gz RACJDMQKLAHIGU-VXGBXAGGSA-N 1 0 239.359 1.933 10 0 BDAERO O[C@H]1COCC[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000624688979 342820560 /nfs/dbraw/zinc/82/05/60/342820560.db2.gz YUBVUFSHLJFFPP-KBPBESRZSA-N 1 0 244.294 1.218 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)no1 ZINC000378731973 538973635 /nfs/dbraw/zinc/97/36/35/538973635.db2.gz LFWIXZBQXGVPKG-GARJFASQSA-N 1 0 224.304 1.937 10 0 BDAERO C/C(=C\Cl)CN1CC[NH2+]C[C@@H]1C1CC1 ZINC000308477926 342829946 /nfs/dbraw/zinc/82/99/46/342829946.db2.gz VKCZDXDDLJPYNK-OALRPVAKSA-N 1 0 214.740 1.813 10 0 BDAERO CSCc1noc([C@H]2CCC[C@@H]2[NH3+])n1 ZINC000071001814 361928339 /nfs/dbraw/zinc/92/83/39/361928339.db2.gz ARXQPRDPULXXKI-BQBZGAKWSA-N 1 0 213.306 1.527 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@H]2CCCOC2)S1 ZINC000071023292 361930346 /nfs/dbraw/zinc/93/03/46/361930346.db2.gz KPZFUMQFTROLBX-SFYZADRCSA-N 1 0 200.307 1.246 10 0 BDAERO CC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000379965101 538982845 /nfs/dbraw/zinc/98/28/45/538982845.db2.gz YJTCKHLOECSILF-JBLDHEPKSA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2ccon2)C1 ZINC000381250232 538997286 /nfs/dbraw/zinc/99/72/86/538997286.db2.gz PEJIJLVRLHITDA-PWSUYJOCSA-N 1 0 223.320 1.493 10 0 BDAERO C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000381287678 538997775 /nfs/dbraw/zinc/99/77/75/538997775.db2.gz ZWVNISCNQAUBLZ-JHJVBQTASA-N 1 0 229.364 1.678 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccncc2Cl)C1 ZINC000381344087 538998785 /nfs/dbraw/zinc/99/87/85/538998785.db2.gz YJZXCJVOXKSKNA-JOYOIKCWSA-N 1 0 239.750 1.909 10 0 BDAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cn[nH]c1 ZINC000386583716 539013775 /nfs/dbraw/zinc/01/37/75/539013775.db2.gz HYGKHYBGASTDCO-BFHYXJOUSA-N 1 0 249.358 1.925 10 0 BDAERO C[C@H](c1ccccc1)[C@@H]1[NH2+]CCCNC1=O ZINC000107089348 539019843 /nfs/dbraw/zinc/01/98/43/539019843.db2.gz HWBWWTDWIJHTFZ-PWSUYJOCSA-N 1 0 218.300 1.268 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@@H]2N)cc1C ZINC000211542657 539022158 /nfs/dbraw/zinc/02/21/58/539022158.db2.gz GHVSKSGHKHMVCT-MNOVXSKESA-N 1 0 206.289 1.018 10 0 BDAERO C[N@@H+]1CC[C@@H](Cn2cc(Cl)c(N)n2)C1 ZINC000709403012 539027370 /nfs/dbraw/zinc/02/73/70/539027370.db2.gz NNSIDWQOWLSMEK-SSDOTTSWSA-N 1 0 214.700 1.070 10 0 BDAERO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CCCN2C)s1 ZINC000391894547 398297722 /nfs/dbraw/zinc/29/77/22/398297722.db2.gz ARZPPFDIYGOOMX-PSASIEDQSA-N 1 0 240.376 1.591 10 0 BDAERO [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)cc1 ZINC000037000980 398298401 /nfs/dbraw/zinc/29/84/01/398298401.db2.gz HZMMJRRINMYNBX-STQMWFEESA-N 1 0 248.326 1.179 10 0 BDAERO C[C@@H]1CCC[C@@H](C)[NH+]1CC[C@H]([NH3+])C(=O)[O-] ZINC000062443547 539016668 /nfs/dbraw/zinc/01/66/68/539016668.db2.gz RHTXWSJDUXBUAW-BBBLOLIVSA-N 1 0 214.309 1.051 10 0 BDAERO C[C@H]1CC[C@@H](C[NH3+])CN1CC(F)(F)F ZINC000042427339 361997578 /nfs/dbraw/zinc/99/75/78/361997578.db2.gz MUKNXUNTTMCGOD-YUMQZZPRSA-N 1 0 210.243 1.608 10 0 BDAERO CC(=O)[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000042462658 362001889 /nfs/dbraw/zinc/00/18/89/362001889.db2.gz OWVJPHRWWAVZSF-JTQLQIEISA-N 1 0 212.337 1.380 10 0 BDAERO [NH3+]C/C=C\c1nc(-c2ccsc2)no1 ZINC000308577621 342856106 /nfs/dbraw/zinc/85/61/06/342856106.db2.gz IFPBLBZLTBVPDS-UPHRSURJSA-N 1 0 207.258 1.770 10 0 BDAERO CC(C)([NH3+])c1nc([C@H]2CCOC2)cs1 ZINC000164976076 342861366 /nfs/dbraw/zinc/86/13/66/342861366.db2.gz QEVFSMSJZIHOBT-ZETCQYMHSA-N 1 0 212.318 1.841 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCOC(C)(C)C ZINC000399170853 398304737 /nfs/dbraw/zinc/30/47/37/398304737.db2.gz OCMJFTQHCIHRGJ-WDEREUQCSA-N 1 0 215.337 1.647 10 0 BDAERO CC[NH2+]C[C@H]1CCCc2sc(N)nc21 ZINC000233538154 342871665 /nfs/dbraw/zinc/87/16/65/342871665.db2.gz WJIMHMNISOGIAD-SSDOTTSWSA-N 1 0 211.334 1.755 10 0 BDAERO NC(=[NH2+])c1c(N)cccc1Br ZINC000165046836 342872536 /nfs/dbraw/zinc/87/25/36/342872536.db2.gz UOIHYQUSQBUJLX-UHFFFAOYSA-N 1 0 214.066 1.315 10 0 BDAERO Cc1cccc(C[C@@H]2CSC[C@H]2O)n1 ZINC000134665703 342876448 /nfs/dbraw/zinc/87/64/48/342876448.db2.gz HPKMOKDFWRVIOH-MWLCHTKSSA-N 1 0 209.314 1.656 10 0 BDAERO Cc1nc(OCc2ccccc2)ncc1C[NH3+] ZINC000134509696 342859964 /nfs/dbraw/zinc/85/99/64/342859964.db2.gz PRVLSGNLDKBRTO-UHFFFAOYSA-N 1 0 229.283 1.823 10 0 BDAERO CC(C)n1ccnc1CN1CCC[C@H]([NH3+])C1 ZINC000336297641 398317782 /nfs/dbraw/zinc/31/77/82/398317782.db2.gz OJWJHSGBRZCVKB-NSHDSACASA-N 1 0 222.336 1.387 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@](F)(c2cscn2)C1 ZINC000401710944 342913590 /nfs/dbraw/zinc/91/35/90/342913590.db2.gz HYYWRHAFKBPBAN-IONNQARKSA-N 1 0 200.282 1.937 10 0 BDAERO C[N@H+](CCN1CCCCC1)[C@H]1CCC[C@@H]1O ZINC000352660410 398323402 /nfs/dbraw/zinc/32/34/02/398323402.db2.gz RPJGGGTYSOMDNA-STQMWFEESA-N 1 0 226.364 1.318 10 0 BDAERO C[NH2+][C@@H]1CCCN(c2nc(Cl)cs2)C1 ZINC000165293395 342900315 /nfs/dbraw/zinc/90/03/15/342900315.db2.gz VVNWHMOGWQKGAY-SSDOTTSWSA-N 1 0 231.752 1.985 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccn1 ZINC000233354505 342901136 /nfs/dbraw/zinc/90/11/36/342901136.db2.gz SMUIRCVOUNYBSA-QMMMGPOBSA-N 1 0 227.695 1.801 10 0 BDAERO CCC(CC)[C@H](C)[NH2+][C@H]1CC(=O)N(CC)C1=O ZINC000104444489 168405877 /nfs/dbraw/zinc/40/58/77/168405877.db2.gz GJSUSHQIHXUGNR-ONGXEEELSA-N 1 0 240.347 1.548 10 0 BDAERO C[C@H](C[NH3+])S(=O)(=O)[C@H]1CCC[C@@H](C)C1 ZINC000218124842 398325726 /nfs/dbraw/zinc/32/57/26/398325726.db2.gz LFPYEWFZZTWMHO-BBBLOLIVSA-N 1 0 219.350 1.327 10 0 BDAERO CS[C@H]1C[NH2+]C[C@@H]1N1CCC(C)CC1 ZINC000134889407 342918119 /nfs/dbraw/zinc/91/81/19/342918119.db2.gz TVWXIYDFSLPVKP-QWRGUYRKSA-N 1 0 214.378 1.422 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCC(C)CC1 ZINC000134889442 342918224 /nfs/dbraw/zinc/91/82/24/342918224.db2.gz TVWXIYDFSLPVKP-WDEREUQCSA-N 1 0 214.378 1.422 10 0 BDAERO FC(F)(F)OCC[NH2+]CCOC(F)(F)F ZINC000071792893 398331241 /nfs/dbraw/zinc/33/12/41/398331241.db2.gz HCUDUAUFDNNYTA-UHFFFAOYSA-N 1 0 241.131 1.649 10 0 BDAERO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000037607657 398332448 /nfs/dbraw/zinc/33/24/48/398332448.db2.gz YNMJDDWAOCZMJV-JGVFFNPUSA-N 1 0 242.269 1.879 10 0 BDAERO CN(CC1CC1)C(=O)C1CCC([NH3+])CC1 ZINC000037816395 398334618 /nfs/dbraw/zinc/33/46/18/398334618.db2.gz BZKLAOCUPHYXER-UHFFFAOYSA-N 1 0 210.321 1.372 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CCC(C)C ZINC000037817910 398334652 /nfs/dbraw/zinc/33/46/52/398334652.db2.gz QWLOPXYJQSJXEM-GHMZBOCLSA-N 1 0 214.353 1.864 10 0 BDAERO CO[C@@H](CNC(=O)C[C@H]([NH3+])C(C)C)C(C)C ZINC000381283526 398339941 /nfs/dbraw/zinc/33/99/41/398339941.db2.gz LUJIYUHGEGPQGK-QWRGUYRKSA-N 1 0 230.352 1.147 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)S(=O)(=O)c1ccccc1 ZINC000061702719 398343727 /nfs/dbraw/zinc/34/37/27/398343727.db2.gz HTJIDDAYANTZAS-RKDXNWHRSA-N 1 0 213.302 1.196 10 0 BDAERO CC1CC(C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000381494024 398345107 /nfs/dbraw/zinc/34/51/07/398345107.db2.gz ZNDMRQQAYBIRRT-UHFFFAOYSA-N 1 0 210.321 1.372 10 0 BDAERO O=C(c1ccc2c(c1)CC(=O)N2)C1CC[NH2+]CC1 ZINC000019421761 342948269 /nfs/dbraw/zinc/94/82/69/342948269.db2.gz KGMGXJSYTKIRAE-UHFFFAOYSA-N 1 0 244.294 1.364 10 0 BDAERO COC(=O)CCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313361765 259333837 /nfs/dbraw/zinc/33/38/37/259333837.db2.gz LVKYAAJTXGGAOE-CYBMUJFWSA-N 1 0 248.326 1.196 10 0 BDAERO [NH3+][C@@H]1CCc2cccc(Br)c2[C@H]1O ZINC000019795440 342957839 /nfs/dbraw/zinc/95/78/39/342957839.db2.gz PVQXCCKLFYJJIP-SCZZXKLOSA-N 1 0 242.116 1.756 10 0 BDAERO CC(C)(C)C[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000304294972 259334368 /nfs/dbraw/zinc/33/43/68/259334368.db2.gz ZNMBUDKAQGIHKO-QWRGUYRKSA-N 1 0 231.380 1.780 10 0 BDAERO C[NH+]1CCC([C@H]2c3cc(N)ccc3NC2=O)CC1 ZINC000167712265 346904243 /nfs/dbraw/zinc/90/42/43/346904243.db2.gz GCGBTLLSJIMMPD-ZDUSSCGKSA-N 1 0 245.326 1.646 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000262835413 534929854 /nfs/dbraw/zinc/92/98/54/534929854.db2.gz WEJAFPRRMUCQKH-WOPDTQHZSA-N 1 0 226.364 1.877 10 0 BDAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000307244861 259338315 /nfs/dbraw/zinc/33/83/15/259338315.db2.gz VIBLMXLWSROYQW-BBBLOLIVSA-N 1 0 215.362 1.774 10 0 BDAERO CCOC(=O)[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC000260518917 349727465 /nfs/dbraw/zinc/72/74/65/349727465.db2.gz RASRWNIZIJLXBP-RNFRBKRXSA-N 1 0 225.210 1.338 10 0 BDAERO Cc1nc(C)c(C)c(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000045954991 343012867 /nfs/dbraw/zinc/01/28/67/343012867.db2.gz AXDUBAZSXMTIRK-GFCCVEGCSA-N 1 0 234.347 1.813 10 0 BDAERO c1nc(N[C@@H]2CCC[NH2+]C2)cc(N2CCCC2)n1 ZINC000045948149 343013369 /nfs/dbraw/zinc/01/33/69/343013369.db2.gz IDCXMAFUSAFPDT-LLVKDONJSA-N 1 0 247.346 1.241 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000235662103 343054989 /nfs/dbraw/zinc/05/49/89/343054989.db2.gz FQQSGAGDQAXMRT-VPOLOUISSA-N 1 0 242.388 1.194 10 0 BDAERO CCOC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000118788771 343056561 /nfs/dbraw/zinc/05/65/61/343056561.db2.gz JFTFCBWDQAGXFZ-AAEUAGOBSA-N 1 0 246.310 1.414 10 0 BDAERO C[C@@H]([NH3+])[C@H](N1CC[C@@H](C)C1)C(F)(F)F ZINC000043378022 343059644 /nfs/dbraw/zinc/05/96/44/343059644.db2.gz MLIYJOIYRJIDOD-PRJMDXOYSA-N 1 0 210.243 1.606 10 0 BDAERO Cc1cnn([C@@H]([C@@H](C)[NH3+])C(F)(F)F)c1 ZINC000043383048 343060481 /nfs/dbraw/zinc/06/04/81/343060481.db2.gz JWEIIETVQWUFOD-RQJHMYQMSA-N 1 0 207.199 1.642 10 0 BDAERO C[C@H]([NH3+])[C@H](n1cc(Cl)cn1)C(F)(F)F ZINC000043383064 343061003 /nfs/dbraw/zinc/06/10/03/343061003.db2.gz CFNGKDGQMUZPKY-NJGYIYPDSA-N 1 0 227.617 1.987 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)[C@@H]1CCOC1 ZINC000305251329 529669782 /nfs/dbraw/zinc/66/97/82/529669782.db2.gz ZOPFOLRNHQGBIC-RDBSUJKOSA-N 1 0 240.391 1.875 10 0 BDAERO CCOc1cc([C@H](N)C[NH3+])ccc1OC ZINC000072200757 343069737 /nfs/dbraw/zinc/06/97/37/343069737.db2.gz VWBTZDSUUWFGCW-SECBINFHSA-N 1 0 210.277 1.052 10 0 BDAERO CCC[C@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000406413504 343078917 /nfs/dbraw/zinc/07/89/17/343078917.db2.gz VFURNWGUWRMJAC-JTQLQIEISA-N 1 0 228.336 1.981 10 0 BDAERO c1cc(N2CCOCC2)c2c([nH+]1)CCCC2 ZINC000584881515 343082413 /nfs/dbraw/zinc/08/24/13/343082413.db2.gz JRFLXGPRVDTARA-UHFFFAOYSA-N 1 0 218.300 1.797 10 0 BDAERO CNC(=O)c1ccc2cc(C(N)=[NH2+])ccc2c1 ZINC000013532817 343092168 /nfs/dbraw/zinc/09/21/68/343092168.db2.gz PPKGLTULIPQHER-UHFFFAOYSA-N 1 0 227.267 1.483 10 0 BDAERO CCOc1ccc2[nH+]cc(N)c(N)c2c1 ZINC000584881858 343083280 /nfs/dbraw/zinc/08/32/80/343083280.db2.gz FLZHGHCJQRXGGM-UHFFFAOYSA-N 1 0 203.245 1.628 10 0 BDAERO CCc1cccc2c(NC)c(N)c[nH+]c12 ZINC000584882502 343084608 /nfs/dbraw/zinc/08/46/08/343084608.db2.gz IOSCIKYKNKZRIG-UHFFFAOYSA-N 1 0 201.273 1.843 10 0 BDAERO Nc1c[nH+]c2ccc(OC(F)F)cc2c1N ZINC000584882277 343084696 /nfs/dbraw/zinc/08/46/96/343084696.db2.gz YPWTVKVAHSGJTE-UHFFFAOYSA-N 1 0 225.198 1.831 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)C[C@](C)(O)CC1CC1 ZINC000584883474 343086205 /nfs/dbraw/zinc/08/62/05/343086205.db2.gz PEDZZZZSIDFPAV-NWDGAFQWSA-N 1 0 215.337 1.287 10 0 BDAERO C1CC[C@@H]2[NH2+]CC[C@@H](N3CCOCC3)[C@@H]2C1 ZINC000107258360 343075644 /nfs/dbraw/zinc/07/56/44/343075644.db2.gz JFGNOTYXPQYBOV-FRRDWIJNSA-N 1 0 224.348 1.239 10 0 BDAERO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC2)c1 ZINC000033465449 178490311 /nfs/dbraw/zinc/49/03/11/178490311.db2.gz ZFJRLOFYKWNWCS-ZDUSSCGKSA-N 1 0 235.327 1.795 10 0 BDAERO CC(C)(C)OC(=O)[C@H](O)[C@@H]1CCCC[NH2+]C1 ZINC000142602000 343110546 /nfs/dbraw/zinc/11/05/46/343110546.db2.gz FSWQUDPKKLXQPM-NXEZZACHSA-N 1 0 229.320 1.079 10 0 BDAERO c1nnc(S[C@H]2CCC[NH2+]C2)s1 ZINC000043501624 343098485 /nfs/dbraw/zinc/09/84/85/343098485.db2.gz GVNNPURQULYQII-LURJTMIESA-N 1 0 201.320 1.382 10 0 BDAERO CC(C)(C)OC(=O)[C@H](O)[C@H]1CCCC[NH2+]C1 ZINC000142602428 343110692 /nfs/dbraw/zinc/11/06/92/343110692.db2.gz FSWQUDPKKLXQPM-VHSXEESVSA-N 1 0 229.320 1.079 10 0 BDAERO CCCCNC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000085727381 488202451 /nfs/dbraw/zinc/20/24/51/488202451.db2.gz VEQAOGGZIJRAGL-VHSXEESVSA-N 1 0 213.325 1.226 10 0 BDAERO CC[C@H](O)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555755 343111868 /nfs/dbraw/zinc/11/18/68/343111868.db2.gz YBWYXZZDEMLJFQ-NEPJUHHUSA-N 1 0 216.369 1.323 10 0 BDAERO C[C@H](C(N)=S)[N@H+](C)C1CCCCC1 ZINC000043513883 343115789 /nfs/dbraw/zinc/11/57/89/343115789.db2.gz PFXNJSGJNQPSKN-MRVPVSSYSA-N 1 0 200.351 1.926 10 0 BDAERO NC(=O)CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000247710220 343123004 /nfs/dbraw/zinc/12/30/04/343123004.db2.gz IVKHMTKMMZHYLN-MNOVXSKESA-N 1 0 210.321 1.374 10 0 BDAERO C1CC[C@@H]2[C@@H](C1)[NH2+]CC[C@@H]2N1CCOCC1 ZINC000250831361 343123848 /nfs/dbraw/zinc/12/38/48/343123848.db2.gz JFGNOTYXPQYBOV-UPJWGTAASA-N 1 0 224.348 1.239 10 0 BDAERO C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000037888731 343145048 /nfs/dbraw/zinc/14/50/48/343145048.db2.gz FXGXJYXVRSVSCZ-XHDPSFHLSA-N 1 0 245.322 1.844 10 0 BDAERO C[C@@H]1CCCN(C(=O)C2([NH3+])CCOCC2)[C@@H]1C ZINC000127911980 343179187 /nfs/dbraw/zinc/17/91/87/343179187.db2.gz RSXULJNGIMNLCC-GHMZBOCLSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1nsc(NC(=O)[C@@]2(C)CCCC[NH2+]2)n1 ZINC000131770318 343184235 /nfs/dbraw/zinc/18/42/35/343184235.db2.gz BKFPWVKIWZFFOL-SNVBAGLBSA-N 1 0 240.332 1.317 10 0 BDAERO [NH3+][C@@H]1CCOc2ncc(Br)cc21 ZINC000238623626 259353906 /nfs/dbraw/zinc/35/39/06/259353906.db2.gz NXCZJKUGVZVXDB-SSDOTTSWSA-N 1 0 229.077 1.626 10 0 BDAERO c1cnc2nc(N[C@@H]3CCC[NH2+]C3)ccc2n1 ZINC000094726407 343156987 /nfs/dbraw/zinc/15/69/87/343156987.db2.gz CZQALRJWUCGVTE-SECBINFHSA-N 1 0 229.287 1.189 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000054072998 488205470 /nfs/dbraw/zinc/20/54/70/488205470.db2.gz ZVTSIWAAHRFCLK-HTQZYQBOSA-N 1 0 242.269 1.750 10 0 BDAERO Cc1nnc(N[C@@H](C)C[C@H](C)[NH3+])nc1C ZINC000159039877 343201555 /nfs/dbraw/zinc/20/15/55/343201555.db2.gz UWCJWZHHGXVVIN-BQBZGAKWSA-N 1 0 209.297 1.026 10 0 BDAERO C[C@H]1CCN(c2ncnc3c2CCC3)C[C@@H]1C[NH3+] ZINC000163943473 343207246 /nfs/dbraw/zinc/20/72/46/343207246.db2.gz SATIAPNUCZFLHV-QWRGUYRKSA-N 1 0 246.358 1.386 10 0 BDAERO Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])nc(C)n1 ZINC000165736510 343212153 /nfs/dbraw/zinc/21/21/53/343212153.db2.gz OTWLJISZBWQPIU-SFYZADRCSA-N 1 0 208.309 1.631 10 0 BDAERO COc1cc(N[C@@H](C)C[C@H](C)[NH3+])ncn1 ZINC000165764003 343212331 /nfs/dbraw/zinc/21/23/31/343212331.db2.gz WYCQPJTXIDNYIF-YUMQZZPRSA-N 1 0 210.281 1.023 10 0 BDAERO CC[C@@H]([NH3+])CC(=O)Nc1ncc(C)s1 ZINC000127124966 343234337 /nfs/dbraw/zinc/23/43/37/343234337.db2.gz XZIAOZZJCWAGLL-SSDOTTSWSA-N 1 0 213.306 1.517 10 0 BDAERO CCC[C@H](O)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162553882 136277427 /nfs/dbraw/zinc/27/74/27/136277427.db2.gz SSBDLONNTJXCJY-BJDJZHNGSA-N 1 0 227.348 1.551 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCc1cccc(C)n1 ZINC000051576805 343258835 /nfs/dbraw/zinc/25/88/35/343258835.db2.gz PRQAPRISYGILKR-LLVKDONJSA-N 1 0 221.304 1.134 10 0 BDAERO O=S(=O)(c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000034103790 343264772 /nfs/dbraw/zinc/26/47/72/343264772.db2.gz OFKVKYJHTPNLOU-LLVKDONJSA-N 1 0 243.303 1.351 10 0 BDAERO Cc1noc(C)c1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000084225317 136290894 /nfs/dbraw/zinc/29/08/94/136290894.db2.gz VEMPZFPAOOVCFL-ZYHUDNBSSA-N 1 0 224.304 1.542 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621371404 343308654 /nfs/dbraw/zinc/30/86/54/343308654.db2.gz CJWCAHKIMMNULP-TUAOUCFPSA-N 1 0 215.337 1.098 10 0 BDAERO OC[C@@H]1CSCC[N@@H+]1C1CCCC1 ZINC000335629973 136300433 /nfs/dbraw/zinc/30/04/33/136300433.db2.gz QGYOGQUDCHHSTC-SNVBAGLBSA-N 1 0 201.335 1.339 10 0 BDAERO Fc1cc(Cl)c([C@H]2C[NH2+]CCN2)cc1F ZINC000038541276 343376741 /nfs/dbraw/zinc/37/67/41/343376741.db2.gz WLNYUWZWRDZQMZ-SNVBAGLBSA-N 1 0 232.661 1.852 10 0 BDAERO CC[C@H]([NH2+]CC(C)(C)O)c1nccs1 ZINC000070634243 343336564 /nfs/dbraw/zinc/33/65/64/343336564.db2.gz FJRPKNABORDBON-QMMMGPOBSA-N 1 0 214.334 1.955 10 0 BDAERO CN(c1ncc(Cl)cc1F)C1CC([NH3+])C1 ZINC000335658984 136307233 /nfs/dbraw/zinc/30/72/33/136307233.db2.gz GQZNJELHVLGPCN-UHFFFAOYSA-N 1 0 229.686 1.800 10 0 BDAERO CC(C)(C)OC(=O)NC[C@H]1[NH2+]CCS1 ZINC000039094061 343382391 /nfs/dbraw/zinc/38/23/91/343382391.db2.gz XQXCQYPPBARROS-ZETCQYMHSA-N 1 0 218.322 1.174 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@H]1[NH2+]CCS1 ZINC000039094060 343382502 /nfs/dbraw/zinc/38/25/02/343382502.db2.gz XQXCQYPPBARROS-SSDOTTSWSA-N 1 0 218.322 1.174 10 0 BDAERO CCc1nc(C2=CCC[N@H+](C)C2)nn1CC ZINC000039102230 343384501 /nfs/dbraw/zinc/38/45/01/343384501.db2.gz KJWLMFKTYWKZSU-UHFFFAOYSA-N 1 0 220.320 1.579 10 0 BDAERO Cc1cnc2c(c1)CCC[C@@H]2C1=[NH+]CCN1 ZINC000039109664 343384941 /nfs/dbraw/zinc/38/49/41/343384941.db2.gz KCUJXSAYHPYVMM-NSHDSACASA-N 1 0 215.300 1.812 10 0 BDAERO Cc1cc(-c2ccccc2)nnc1OCC[NH3+] ZINC000039111166 343385350 /nfs/dbraw/zinc/38/53/50/343385350.db2.gz SLKXQVBUDWJJHW-UHFFFAOYSA-N 1 0 229.283 1.790 10 0 BDAERO O=C1C[C@H]([NH2+]Cc2ccccc2)[C@@H]2CCCN12 ZINC000034564399 346936120 /nfs/dbraw/zinc/93/61/20/346936120.db2.gz MUIWEAMCTVZOIS-STQMWFEESA-N 1 0 230.311 1.540 10 0 BDAERO N#Cc1ccnc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000394161802 344032575 /nfs/dbraw/zinc/03/25/75/344032575.db2.gz ZPOVQZWZJBLJSI-JSGCOSHPSA-N 1 0 242.326 1.518 10 0 BDAERO O=S1CCC([NH2+]Cc2nccs2)CC1 ZINC000042354201 343435262 /nfs/dbraw/zinc/43/52/62/343435262.db2.gz QWABGMBFDHELEG-UHFFFAOYSA-N 1 0 230.358 1.144 10 0 BDAERO COC[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247973949 136373652 /nfs/dbraw/zinc/37/36/52/136373652.db2.gz KGTTZCRLZZZUBQ-RWMBFGLXSA-N 1 0 227.348 1.648 10 0 BDAERO O=C(NCc1cccc(Cl)c1)NC1C[NH2+]C1 ZINC000258713666 136373928 /nfs/dbraw/zinc/37/39/28/136373928.db2.gz VBZZREDKXGZPCB-UHFFFAOYSA-N 1 0 239.706 1.111 10 0 BDAERO CC1(C)CN(C(=O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000258994928 136374027 /nfs/dbraw/zinc/37/40/27/136374027.db2.gz BRCRRJYPRNFNEO-LBPRGKRZSA-N 1 0 232.327 1.886 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2occc2C)C1 ZINC000336897191 136376468 /nfs/dbraw/zinc/37/64/68/136376468.db2.gz OWNRZHFDCJDLSV-LLVKDONJSA-N 1 0 208.305 1.772 10 0 BDAERO Cc1cc(C)c([C@H]([NH3+])CC(N)=O)cc1C ZINC000044250981 343496758 /nfs/dbraw/zinc/49/67/58/343496758.db2.gz SINMEGNJUCCSPE-LLVKDONJSA-N 1 0 206.289 1.487 10 0 BDAERO COC(=O)CCSCC[C@H]1CCCC[NH2+]1 ZINC000043499600 343475904 /nfs/dbraw/zinc/47/59/04/343475904.db2.gz XDJBQNZGVQUXQY-SNVBAGLBSA-N 1 0 231.361 1.815 10 0 BDAERO CCS(=O)(=O)c1ccc(C[NH3+])c(F)c1 ZINC000158992622 346943239 /nfs/dbraw/zinc/94/32/39/346943239.db2.gz VYRMSUWSXNDXTD-UHFFFAOYSA-N 1 0 217.265 1.078 10 0 BDAERO C[C@H]1C[NH+](CC2(O)CCCC2)C[C@H](C)O1 ZINC000083587747 343491877 /nfs/dbraw/zinc/49/18/77/343491877.db2.gz KQTNMWSHGRRFAL-QWRGUYRKSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@@H]1C[NH+](CC2(O)CCCC2)C[C@@H](C)O1 ZINC000083587748 343492110 /nfs/dbraw/zinc/49/21/10/343492110.db2.gz KQTNMWSHGRRFAL-GHMZBOCLSA-N 1 0 213.321 1.401 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000044136029 343492568 /nfs/dbraw/zinc/49/25/68/343492568.db2.gz FVXJAQWPWCMEGC-VXGBXAGGSA-N 1 0 219.284 1.553 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H](c2ccc(F)cc2)C1 ZINC000044135818 343492587 /nfs/dbraw/zinc/49/25/87/343492587.db2.gz SEOVEHYCJWRMKS-MNOVXSKESA-N 1 0 237.274 1.692 10 0 BDAERO C[NH2+]CCNc1nc(C(C)C)ns1 ZINC000083670366 343494788 /nfs/dbraw/zinc/49/47/88/343494788.db2.gz YXNCRPOLYSVDHN-UHFFFAOYSA-N 1 0 200.311 1.293 10 0 BDAERO CC(C)c1nsc(NC[C@H](C)C[NH3+])n1 ZINC000083675944 343495452 /nfs/dbraw/zinc/49/54/52/343495452.db2.gz JPNBZGYGVOEVHM-SSDOTTSWSA-N 1 0 214.338 1.668 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000083888642 343505939 /nfs/dbraw/zinc/50/59/39/343505939.db2.gz MPWPQXNWRPXALS-SECBINFHSA-N 1 0 239.344 1.069 10 0 BDAERO CCOC(=O)[C@@H]1COCC[N@@H+](C(C)(C)C)C1 ZINC000616659922 343532887 /nfs/dbraw/zinc/53/28/87/343532887.db2.gz GQJAAAQVCLCWCP-JTQLQIEISA-N 1 0 229.320 1.296 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccno1 ZINC000616691659 343538953 /nfs/dbraw/zinc/53/89/53/343538953.db2.gz HPRMXKCOGJKJBH-CQSZACIVSA-N 1 0 243.310 1.581 10 0 BDAERO Cc1ccc(CN(C)C(=O)[C@@H]2CC[NH2+]C2)o1 ZINC000062112803 178541308 /nfs/dbraw/zinc/54/13/08/178541308.db2.gz IUANLEZUQFUQSJ-SNVBAGLBSA-N 1 0 222.288 1.156 10 0 BDAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624235318 343574947 /nfs/dbraw/zinc/57/49/47/343574947.db2.gz IKPUAOUZWAYGJQ-AXFHLTTASA-N 1 0 241.356 1.857 10 0 BDAERO c1cc2c(s1)[C@]1(CC[N@H+]3CCC[C@H]31)NCC2 ZINC000712513192 537787409 /nfs/dbraw/zinc/78/74/09/537787409.db2.gz QBBAOHYQNPOFLW-WCQYABFASA-N 1 0 234.368 1.957 10 0 BDAERO CCC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@@H]1CC1(C)C ZINC000624239046 343586775 /nfs/dbraw/zinc/58/67/75/343586775.db2.gz BXRMFKDYVHPTEP-RVMXOQNASA-N 1 0 241.375 1.941 10 0 BDAERO Cn1nccc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712501083 537786804 /nfs/dbraw/zinc/78/68/04/537786804.db2.gz JIBPHNXRLXRYRI-SNVBAGLBSA-N 1 0 219.313 1.717 10 0 BDAERO COCC1(COC)[NH2+]CCc2ccsc21 ZINC000712526698 537790923 /nfs/dbraw/zinc/79/09/23/537790923.db2.gz UEXODMBKMKDWGC-UHFFFAOYSA-N 1 0 227.329 1.382 10 0 BDAERO C[C@H](CCCCO)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000390364123 537792573 /nfs/dbraw/zinc/79/25/73/537792573.db2.gz SSRVKXUPYVGMEF-JHJVBQTASA-N 1 0 229.364 1.678 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+]CCC(C)C)[C@H](C)C1 ZINC000390150817 537789677 /nfs/dbraw/zinc/78/96/77/537789677.db2.gz UBKQFWRJFLTJRU-YPMHNXCESA-N 1 0 226.364 1.879 10 0 BDAERO Nc1[nH+]ccn1C[C@@H]1CCC2(CCC2)O1 ZINC000712521206 537789955 /nfs/dbraw/zinc/78/99/55/537789955.db2.gz JNQADBSTNINKJE-VIFPVBQESA-N 1 0 207.277 1.567 10 0 BDAERO CCCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087121661 343637875 /nfs/dbraw/zinc/63/78/75/343637875.db2.gz MILPYWQPXALSGI-MNOVXSKESA-N 1 0 212.337 1.681 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]CC(N)=O)cc1F ZINC000087283704 343642732 /nfs/dbraw/zinc/64/27/32/343642732.db2.gz HFPWOYOYWVEHMT-QMMMGPOBSA-N 1 0 210.252 1.270 10 0 BDAERO c1cc2c(s1)[C@H]([C@@H]1CCOC1)[NH2+]CC2 ZINC000712581988 537795105 /nfs/dbraw/zinc/79/51/05/537795105.db2.gz QWRCRVCEHQTNLN-ZJUUUORDSA-N 1 0 209.314 1.971 10 0 BDAERO C[C@@H]1[C@H]([NH3+])c2cc(Cl)ccc2[S@@]1=O ZINC000043636795 343633597 /nfs/dbraw/zinc/63/35/97/343633597.db2.gz IUCYZYXVIBFKJO-MCAMJQQNSA-N 1 0 215.705 1.850 10 0 BDAERO CC[C@@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000309283101 343671713 /nfs/dbraw/zinc/67/17/13/343671713.db2.gz UQOJODBCVRJHAG-JHJVBQTASA-N 1 0 226.364 1.316 10 0 BDAERO Cc1cn2c([nH+]1)N[C@H]([C@@H]1CC[C@H](C)O1)CC2 ZINC000300018641 537802081 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NJCSECPFXCPNAB-WDEREUQCSA-N 1 0 230.271 1.244 10 0 BDAERO CCN1c2ccccc2[C@@]2(CC[NH2+]C2)C1=O ZINC000409423648 343815896 /nfs/dbraw/zinc/81/58/96/343815896.db2.gz UBPMJCNBTDBKDC-ZDUSSCGKSA-N 1 0 216.284 1.284 10 0 BDAERO O=C([C@@H]1CCCC[NH2+]1)N1CCC[C@H](C(F)F)C1 ZINC000409431867 343823206 /nfs/dbraw/zinc/82/32/06/343823206.db2.gz UBAVPIVIKCDDBA-UWVGGRQHSA-N 1 0 246.301 1.632 10 0 BDAERO CCCCc1cc(N2CC[NH2+]CC2)nc(C)n1 ZINC000409432584 343826912 /nfs/dbraw/zinc/82/69/12/343826912.db2.gz WEIBBYBGMHYEHH-UHFFFAOYSA-N 1 0 234.347 1.537 10 0 BDAERO [NH3+]Cc1nnn2c1CO[C@@H](c1cccs1)C2 ZINC000409428545 343803611 /nfs/dbraw/zinc/80/36/11/343803611.db2.gz MZSNWVCSLAGDMG-SECBINFHSA-N 1 0 236.300 1.070 10 0 BDAERO O[C@H]1CC2(C[NH2+]C2)Oc2ccc(Cl)cc21 ZINC000409432910 343828207 /nfs/dbraw/zinc/82/82/07/343828207.db2.gz POMSVICXJBQDGY-VIFPVBQESA-N 1 0 225.675 1.498 10 0 BDAERO Nc1cc(C2CC2)nn1C1CC[NH2+]CC1 ZINC000409441186 343855753 /nfs/dbraw/zinc/85/57/53/343855753.db2.gz XICINAANBGTUDB-UHFFFAOYSA-N 1 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BDAERO CCN(C(=O)[C@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000409435963 343836537 /nfs/dbraw/zinc/83/65/37/343836537.db2.gz XMYHLYHCUUSHKU-GHMZBOCLSA-N 1 0 242.388 1.483 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H]1c1noc(-c2ccncc2)n1 ZINC000409442003 343856786 /nfs/dbraw/zinc/85/67/86/343856786.db2.gz SCBKNIYYRTWPGK-QWRGUYRKSA-N 1 0 244.298 1.987 10 0 BDAERO [NH3+]Cc1cc(COCc2ccccc2)ncn1 ZINC000409436547 343838746 /nfs/dbraw/zinc/83/87/46/343838746.db2.gz HMBYBGWMUPVDEP-UHFFFAOYSA-N 1 0 229.283 1.652 10 0 BDAERO CC(C)N(C)C[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309211232 346990790 /nfs/dbraw/zinc/99/07/90/346990790.db2.gz HDWXJQYUNSIHCY-NWDGAFQWSA-N 1 0 230.396 1.712 10 0 BDAERO Nc1cc(C2CCC2)nn1CC1CC[NH2+]CC1 ZINC000409438825 343845471 /nfs/dbraw/zinc/84/54/71/343845471.db2.gz MQIJHFSEDLYWMQ-UHFFFAOYSA-N 1 0 234.347 1.732 10 0 BDAERO C[C@H](c1noc(C2C[NH2+]C2)n1)n1cccc1 ZINC000409438906 343845981 /nfs/dbraw/zinc/84/59/81/343845981.db2.gz DZKOPTFCUIJNNR-MRVPVSSYSA-N 1 0 218.260 1.167 10 0 BDAERO [NH3+]CCc1c(C2CC2)n[nH]c1C1CCOCC1 ZINC000409439547 343847357 /nfs/dbraw/zinc/84/73/57/343847357.db2.gz IWUYLMYYYOTLNR-UHFFFAOYSA-N 1 0 235.331 1.682 10 0 BDAERO CCc1[nH]nc(C2CC2)c1CCC(N)=[NH2+] ZINC000409439448 343847532 /nfs/dbraw/zinc/84/75/32/343847532.db2.gz HXCBDAHBNANFLZ-UHFFFAOYSA-N 1 0 206.293 1.718 10 0 BDAERO Cc1[nH]nc(-c2cccnc2)c1CCC(N)=[NH2+] ZINC000409439563 343848022 /nfs/dbraw/zinc/84/80/22/343848022.db2.gz IYIZOYVDLRZCJY-UHFFFAOYSA-N 1 0 229.287 1.649 10 0 BDAERO C[C@H]1CCCN(c2cncc(C[NH3+])c2)C1 ZINC000409437706 343848508 /nfs/dbraw/zinc/84/85/08/343848508.db2.gz AWTZHBFWSXOKMV-JTQLQIEISA-N 1 0 205.305 1.777 10 0 BDAERO C[N@@H+]1C[C@@H](CO)C[C@H]1c1ccc(F)cc1 ZINC000409437783 343848957 /nfs/dbraw/zinc/84/89/57/343848957.db2.gz BGACITNEZTWFQD-CABZTGNLSA-N 1 0 209.264 1.811 10 0 BDAERO [NH3+]Cc1cn(CCF)nc1-c1ccncc1 ZINC000409438158 343849757 /nfs/dbraw/zinc/84/97/57/343849757.db2.gz KFKPXPGMHMXHNU-UHFFFAOYSA-N 1 0 220.251 1.373 10 0 BDAERO Cc1[nH]nc(-c2ccco2)c1CCC(N)=[NH2+] ZINC000409442247 343857710 /nfs/dbraw/zinc/85/77/10/343857710.db2.gz YCLAJMQLNOTKGX-UHFFFAOYSA-N 1 0 218.260 1.847 10 0 BDAERO Cn1cc(C(N)=[NH2+])c(-c2ccccc2)n1 ZINC000409441410 343859010 /nfs/dbraw/zinc/85/90/10/343859010.db2.gz XQSVTQIXPZKFOH-UHFFFAOYSA-N 1 0 200.245 1.371 10 0 BDAERO CC(C)n1nc(-c2ccccn2)cc1C(N)=[NH2+] ZINC000409443661 343862454 /nfs/dbraw/zinc/86/24/54/343862454.db2.gz QZJOLZUUFMPDTN-UHFFFAOYSA-N 1 0 229.287 1.810 10 0 BDAERO OCc1cc([C@H]2CCC[NH2+]C2)nn1CC1CC1 ZINC000409443911 343863537 /nfs/dbraw/zinc/86/35/37/343863537.db2.gz WKRVSFANAADVOW-NSHDSACASA-N 1 0 235.331 1.252 10 0 BDAERO [NH3+]CCn1nc(-c2ccsc2)cc1CO ZINC000409444046 343863730 /nfs/dbraw/zinc/86/37/30/343863730.db2.gz ZGLRILQKUGMPLZ-UHFFFAOYSA-N 1 0 223.301 1.063 10 0 BDAERO [NH2+]=C(COc1cc2c(c(Cl)c1)OCO2)NO ZINC000409443251 343866750 /nfs/dbraw/zinc/86/67/50/343866750.db2.gz JWCJFQSHDLRGAB-UHFFFAOYSA-N 1 0 244.634 1.404 10 0 BDAERO [NH3+]Cc1cc(-c2ccccc2)nn1CCF ZINC000409443545 343867521 /nfs/dbraw/zinc/86/75/21/343867521.db2.gz PEEJMDGFUGZWJZ-UHFFFAOYSA-N 1 0 219.263 1.978 10 0 BDAERO CCCN(CC1CC1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000082920828 133508258 /nfs/dbraw/zinc/50/82/58/133508258.db2.gz TWWJZZUBLDJYAU-NWDGAFQWSA-N 1 0 224.348 1.762 10 0 BDAERO C[C@@H]1CCCCC[N@@H+]1CCC(N)=S ZINC000069944890 343944672 /nfs/dbraw/zinc/94/46/72/343944672.db2.gz HDRAFMFHCCACRJ-SECBINFHSA-N 1 0 200.351 1.927 10 0 BDAERO C[C@@]1(Nc2ncccc2Cl)CC[NH2+]C1 ZINC000230748463 347017198 /nfs/dbraw/zinc/01/71/98/347017198.db2.gz ZFRVBUWIMNCRCS-SNVBAGLBSA-N 1 0 211.696 1.899 10 0 BDAERO CCC[C@H](C[NH2+]CC1CC(O)C1)OC ZINC000395147231 362275492 /nfs/dbraw/zinc/27/54/92/362275492.db2.gz HUDUROCPGSIKQU-VQXHTEKXSA-N 1 0 201.310 1.162 10 0 BDAERO Cc1cccc(-n2cnc3c2CC[NH2+]C3)c1 ZINC000082940295 362277435 /nfs/dbraw/zinc/27/74/35/362277435.db2.gz MXNZYGYVIIDGTM-UHFFFAOYSA-N 1 0 213.284 1.826 10 0 BDAERO CCC[NH2+]CCC(=O)N1CCCCCC1 ZINC000072417557 343958275 /nfs/dbraw/zinc/95/82/75/343958275.db2.gz MHQWEWLKKITZSN-UHFFFAOYSA-N 1 0 212.337 1.779 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778880 344072524 /nfs/dbraw/zinc/07/25/24/344072524.db2.gz RYVKTFKPBWLUJT-WRWGMCAJSA-N 1 0 227.373 1.870 10 0 BDAERO CCN(Cc1ccccc1)C[C@H]1C[C@H](O)C[NH2+]1 ZINC000097244163 344103021 /nfs/dbraw/zinc/10/30/21/344103021.db2.gz TUSRVVSXDGXONL-KGLIPLIRSA-N 1 0 234.343 1.231 10 0 BDAERO CC(=O)Nc1cccc(-[n+]2ccccc2)c1 ZINC000214617791 344099126 /nfs/dbraw/zinc/09/91/26/344099126.db2.gz DISFEEJZLRRZJO-UHFFFAOYSA-O 1 0 213.260 1.922 10 0 BDAERO CCN(CC(C)C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634742657 344163925 /nfs/dbraw/zinc/16/39/25/344163925.db2.gz SNNNGYQBUQFLKU-JSGCOSHPSA-N 1 0 238.375 1.881 10 0 BDAERO C/C=C(\C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC ZINC000616571058 344178433 /nfs/dbraw/zinc/17/84/33/344178433.db2.gz PCRLYVLOCQGGSD-LTJOXERKSA-N 1 0 210.321 1.457 10 0 BDAERO C/C=C/C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616570620 344173817 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CC[C@@H](c1cccs1)N1C[C@H]([NH3+])C1=O ZINC000227620944 344663846 /nfs/dbraw/zinc/66/38/46/344663846.db2.gz MXNIJUKMXLHXSD-YUMQZZPRSA-N 1 0 210.302 1.369 10 0 BDAERO CS[C@@H]1CCCC[C@@H]1[NH+]1CCNCC1 ZINC000235047828 344750638 /nfs/dbraw/zinc/75/06/38/344750638.db2.gz WIXIRZCPYYNCAS-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO CC1(C)CSC[C@@H]([C@H]2CCOC2)[NH2+]1 ZINC000158703996 344728688 /nfs/dbraw/zinc/72/86/88/344728688.db2.gz WICHOFYCOXTCAH-IUCAKERBSA-N 1 0 201.335 1.507 10 0 BDAERO C[C@@H]1C[C@@H](N2CN=NC2=S)CC[N@@H+]1C ZINC000158580684 344683142 /nfs/dbraw/zinc/68/31/42/344683142.db2.gz JQZBSBVJJJJRAB-SFYZADRCSA-N 1 0 212.322 1.222 10 0 BDAERO Cn1ncnc1SC[C@H]1CCCC[NH2+]1 ZINC000127985312 344704101 /nfs/dbraw/zinc/70/41/01/344704101.db2.gz XIULDHZNUVQIAK-MRVPVSSYSA-N 1 0 212.322 1.049 10 0 BDAERO C[C@@H]1C[S@](=O)C[C@H](C2CCCCC2)[NH2+]1 ZINC000158677138 344715791 /nfs/dbraw/zinc/71/57/91/344715791.db2.gz HLABUTJTNJUIEK-GLXFQSAKSA-N 1 0 215.362 1.676 10 0 BDAERO 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CCOC(=O)c1ccc(N2C[C@H]([NH3+])C[C@@H]2C)nc1 ZINC000600962835 344837022 /nfs/dbraw/zinc/83/70/22/344837022.db2.gz NMTRJDCZDQRZBY-GXSJLCMTSA-N 1 0 249.314 1.184 10 0 BDAERO O=C1CCc2ccccc2N1[C@@H]1CC[NH2+]C1 ZINC000212747267 344822734 /nfs/dbraw/zinc/82/27/34/344822734.db2.gz IUFAVZZYHSSRON-LLVKDONJSA-N 1 0 216.284 1.328 10 0 BDAERO Cc1ccc(F)c2cc(C[NH3+])c(=O)[nH]c12 ZINC000675069288 537864228 /nfs/dbraw/zinc/86/42/28/537864228.db2.gz FOCOPQUHCHVFPG-UHFFFAOYSA-N 1 0 206.220 1.847 10 0 BDAERO C(C[C@@H]1CCCCO1)NC1=[NH+]CCS1 ZINC000224237680 344870557 /nfs/dbraw/zinc/87/05/57/344870557.db2.gz IXSMOQKTLSZITB-VIFPVBQESA-N 1 0 214.334 1.638 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000082394409 344905610 /nfs/dbraw/zinc/90/56/10/344905610.db2.gz MZIIJGZCLAQAQN-JTQLQIEISA-N 1 0 225.361 1.717 10 0 BDAERO C[C@H]([NH3+])CNc1ncc(Br)cc1F ZINC000235489668 344923691 /nfs/dbraw/zinc/92/36/91/344923691.db2.gz RFXAXIQTUZFCLC-YFKPBYRVSA-N 1 0 248.099 1.742 10 0 BDAERO Cn1cc(C[C@]2(C[NH3+])CCCS2)cn1 ZINC000166506682 344913431 /nfs/dbraw/zinc/91/34/31/344913431.db2.gz IRJXDUFIZHLAGK-JTQLQIEISA-N 1 0 211.334 1.187 10 0 BDAERO C[C@H](C[NH3+])[C@H](C)c1c(Br)nnn1C ZINC000235442179 344916315 /nfs/dbraw/zinc/91/63/15/344916315.db2.gz XFADNACYWQRNAO-RITPCOANSA-N 1 0 247.140 1.276 10 0 BDAERO C[C@H]([NH3+])C(=O)Nc1cccc(C2OCCO2)c1 ZINC000235461922 344920045 /nfs/dbraw/zinc/92/00/45/344920045.db2.gz AXBCLBAFDKRHRO-QMMMGPOBSA-N 1 0 236.271 1.018 10 0 BDAERO Cc1ccc(O)c(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000310234709 178785845 /nfs/dbraw/zinc/78/58/45/178785845.db2.gz ZVXURNNQKZLPIK-MWLCHTKSSA-N 1 0 234.299 1.262 10 0 BDAERO CC[NH2+][C@H](C)CNc1ccc(C(F)(F)F)cn1 ZINC000387583572 344984098 /nfs/dbraw/zinc/98/40/98/344984098.db2.gz QNLDBIWMIZKBGJ-MRVPVSSYSA-N 1 0 247.264 1.932 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(O)c(Cl)c1 ZINC000044232710 344988302 /nfs/dbraw/zinc/98/83/02/344988302.db2.gz CFSVZZYTHYDYFF-MRVPVSSYSA-N 1 0 201.653 1.428 10 0 BDAERO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2C)n1 ZINC000134244878 178799627 /nfs/dbraw/zinc/79/96/27/178799627.db2.gz YWQBIGSKIRHVPG-ZJUUUORDSA-N 1 0 222.288 1.363 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000044251684 344994864 /nfs/dbraw/zinc/99/48/64/344994864.db2.gz BJOLOTFEAKDPBQ-QMMMGPOBSA-N 1 0 233.098 1.869 10 0 BDAERO CS(=O)(=O)c1ccc([C@@H]2CC[NH2+]2)cc1 ZINC000044257965 344997313 /nfs/dbraw/zinc/99/73/13/344997313.db2.gz GBWOJLOAKBXWMM-JTQLQIEISA-N 1 0 211.286 1.125 10 0 BDAERO Cn1ccnc1[C@@H]([NH3+])COc1ccccc1 ZINC000011848583 345029680 /nfs/dbraw/zinc/02/96/80/345029680.db2.gz JGVPIQFQXLKMEV-NSHDSACASA-N 1 0 217.272 1.499 10 0 BDAERO COc1ccc([C@@H]([NH3+])Cn2cccn2)cc1 ZINC000011849930 345032576 /nfs/dbraw/zinc/03/25/76/345032576.db2.gz WKAWMSTVIGGPPE-LBPRGKRZSA-N 1 0 217.272 1.592 10 0 BDAERO C[NH2+][C@@H]1CCCN([C@H](C)c2nccs2)C1 ZINC000248088107 345036025 /nfs/dbraw/zinc/03/60/25/345036025.db2.gz UCPBNLBEFASHNY-NXEZZACHSA-N 1 0 225.361 1.888 10 0 BDAERO Cc1ccc(Oc2cc(C(N)=[NH2+])ccn2)cn1 ZINC000050212134 178820248 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/nfs/dbraw/zinc/05/19/38/179051938.db2.gz YWSOBAPQHWVBPI-UHFFFAOYSA-N 1 0 218.300 1.316 10 0 BDAERO CC(C)(C)OCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161607070 346342236 /nfs/dbraw/zinc/34/22/36/346342236.db2.gz IVUSZTUKCCSZFG-NSHDSACASA-N 1 0 215.337 1.506 10 0 BDAERO CCC[N@H+](CC)C[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 ZINC000669379022 537973591 /nfs/dbraw/zinc/97/35/91/537973591.db2.gz SSNYSBNVKTWPOB-QWRGUYRKSA-N 1 0 228.336 1.029 10 0 BDAERO CCC(C)(C)NC(=O)N(C)CC[NH2+]C(C)C ZINC000669379009 537972531 /nfs/dbraw/zinc/97/25/31/537972531.db2.gz SBDNYDGKFFDOAW-UHFFFAOYSA-N 1 0 229.368 1.814 10 0 BDAERO C[NH2+]C[C@H]1CCCN1C(=O)C1CC(C)C1 ZINC000381577498 346380620 /nfs/dbraw/zinc/38/06/20/346380620.db2.gz CWEHGOWLPCXNFT-VQXHTEKXSA-N 1 0 210.321 1.243 10 0 BDAERO CC1(C)CSC[C@@H]([C@@H]2CCOC2)[NH2+]1 ZINC000158703735 346400209 /nfs/dbraw/zinc/40/02/09/346400209.db2.gz WICHOFYCOXTCAH-BDAKNGLRSA-N 1 0 201.335 1.507 10 0 BDAERO C[C@H](NC1=[NH+]C[C@@H](C)S1)[C@@H]1CCOC1 ZINC000158704754 346400236 /nfs/dbraw/zinc/40/02/36/346400236.db2.gz FQXKYAGNTQBYOQ-HRDYMLBCSA-N 1 0 214.334 1.492 10 0 BDAERO CC(C)[C@H](C)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000669379051 537975112 /nfs/dbraw/zinc/97/51/12/537975112.db2.gz UVAJJEHTRIXLOZ-UWVGGRQHSA-N 1 0 212.337 1.393 10 0 BDAERO O=C(C1CCC1)N(C1CCC1)C1CC[NH2+]CC1 ZINC000675054847 537977335 /nfs/dbraw/zinc/97/73/35/537977335.db2.gz KDIUPILAJQBKGL-UHFFFAOYSA-N 1 0 236.359 1.920 10 0 BDAERO Cc1cccc(CN2CC[NH2+]C[C@@H](C)C2)n1 ZINC000051577671 179080068 /nfs/dbraw/zinc/08/00/68/179080068.db2.gz FRAGBXBMNFXCJL-LLVKDONJSA-N 1 0 219.332 1.431 10 0 BDAERO CC1(C)C[NH2+]C[C@H]1NC(=O)NC1CCCC1 ZINC000669379286 537977898 /nfs/dbraw/zinc/97/78/98/537977898.db2.gz ZRFRTRAUCZICLI-SNVBAGLBSA-N 1 0 225.336 1.226 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@]12NC(C)(C)CS2 ZINC000229565727 346437505 /nfs/dbraw/zinc/43/75/05/346437505.db2.gz PSTQFPVZQSBAAI-PSASIEDQSA-N 1 0 200.351 1.427 10 0 BDAERO Cc1cccc(CN2CC[C@H]([NH3+])C2=O)c1 ZINC000049648859 179082777 /nfs/dbraw/zinc/08/27/77/179082777.db2.gz HMORFIUCCOBOJQ-NSHDSACASA-N 1 0 204.273 1.055 10 0 BDAERO [NH3+]CC[C@@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000070073938 349965414 /nfs/dbraw/zinc/96/54/14/349965414.db2.gz DTSOWLAKXXMGLV-NSHDSACASA-N 1 0 246.358 1.531 10 0 BDAERO CCC(F)(F)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000641798948 362746298 /nfs/dbraw/zinc/74/62/98/362746298.db2.gz RDTFOUKGDXPLBE-LPEHRKFASA-N 1 0 218.291 1.701 10 0 BDAERO Cc1cccc(C[NH2+]C[C@H]2CCOC2)n1 ZINC000051574219 179094101 /nfs/dbraw/zinc/09/41/01/179094101.db2.gz KLQHBGRICRTZOY-LLVKDONJSA-N 1 0 206.289 1.516 10 0 BDAERO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2O)n1 ZINC000051576289 179100976 /nfs/dbraw/zinc/10/09/76/179100976.db2.gz FHKJYJIRJQOWMS-RYUDHWBXSA-N 1 0 206.289 1.393 10 0 BDAERO C[C@H]1C[NH2+]CCN1Cc1ccnc(F)c1 ZINC000725241692 537981676 /nfs/dbraw/zinc/98/16/76/537981676.db2.gz MSVOVPHYLGEZKW-VIFPVBQESA-N 1 0 209.268 1.014 10 0 BDAERO Cc1cccc(C[C@@H]([NH3+])Cc2ncc[nH]2)c1 ZINC000052127821 179104823 /nfs/dbraw/zinc/10/48/23/179104823.db2.gz WBVGNLUVJCGPCG-GFCCVEGCSA-N 1 0 215.300 1.831 10 0 BDAERO Cc1cccc(C[C@H](O)C2CC[NH2+]CC2)c1 ZINC000041232879 179106304 /nfs/dbraw/zinc/10/63/04/179106304.db2.gz LYNINEUMALPHRL-AWEZNQCLSA-N 1 0 219.328 1.898 10 0 BDAERO C[C@H]1CSC(N[C@@]2(C)CCOC2)=[NH+]1 ZINC000164054511 346588488 /nfs/dbraw/zinc/58/84/88/346588488.db2.gz QDRFAJDUNDYETA-CBAPKCEASA-N 1 0 200.307 1.246 10 0 BDAERO C[C@H]([NH3+])[C@H](c1ccsc1)N1CCCO1 ZINC000164160637 346593319 /nfs/dbraw/zinc/59/33/19/346593319.db2.gz VYOCASNNPMXWJP-WCBMZHEXSA-N 1 0 212.318 1.774 10 0 BDAERO Cc1ccc([C@H](C[NH3+])N2CCCO2)s1 ZINC000164193214 346594764 /nfs/dbraw/zinc/59/47/64/346594764.db2.gz WCWHRUIMQHXNQV-VIFPVBQESA-N 1 0 212.318 1.694 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N1CCCO1 ZINC000164182825 346594989 /nfs/dbraw/zinc/59/49/89/346594989.db2.gz HZCWFPUOGGSMGN-SCZZXKLOSA-N 1 0 212.318 1.774 10 0 BDAERO Cc1cccc(NC(=O)C2(C[NH3+])CC2)c1C ZINC000077326788 179125274 /nfs/dbraw/zinc/12/52/74/179125274.db2.gz IUPHFVSDAZVLRA-UHFFFAOYSA-N 1 0 218.300 1.981 10 0 BDAERO CCn1cc(-c2cc(C[NH3+])ccc2N)cn1 ZINC000669380025 537984992 /nfs/dbraw/zinc/98/49/92/537984992.db2.gz FVYSXAHBOMTSDI-UHFFFAOYSA-N 1 0 216.288 1.611 10 0 BDAERO Cc1cccc(NC(=O)[C@H](C)CC[NH3+])c1 ZINC000076583653 179139810 /nfs/dbraw/zinc/13/98/10/179139810.db2.gz NYXCBPLGEOMVKO-SNVBAGLBSA-N 1 0 206.289 1.918 10 0 BDAERO Cc1cccc(NC(=O)[C@H]([NH3+])C(C)(C)C)n1 ZINC000077488105 179140017 /nfs/dbraw/zinc/14/00/17/179140017.db2.gz ZRGGYUIKTVIBOQ-JTQLQIEISA-N 1 0 221.304 1.702 10 0 BDAERO CC[C@H](C[NH3+])Nc1ncc(Cl)cn1 ZINC000168064775 346725397 /nfs/dbraw/zinc/72/53/97/346725397.db2.gz FGGGMZAPOJFFLC-SSDOTTSWSA-N 1 0 200.673 1.279 10 0 BDAERO [NH3+]CC1(C(=O)OCc2ccccc2)CC1 ZINC000168639271 346738793 /nfs/dbraw/zinc/73/87/93/346738793.db2.gz QRZXUUNUEZCPJR-UHFFFAOYSA-N 1 0 205.257 1.469 10 0 BDAERO Cc1cccc(OCCc2nnc(CC[NH3+])[nH]2)c1 ZINC000077402171 179169487 /nfs/dbraw/zinc/16/94/87/179169487.db2.gz UIPFFNINWBFMAN-UHFFFAOYSA-N 1 0 246.314 1.236 10 0 BDAERO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000042896646 179167677 /nfs/dbraw/zinc/16/76/77/179167677.db2.gz WVUDUWRGPPTEGX-ZIAGYGMSSA-N 1 0 235.327 1.877 10 0 BDAERO Cc1cccc(OCC[NH2+][C@H]2CCC[C@H]2O)c1 ZINC000042896648 179167898 /nfs/dbraw/zinc/16/78/98/179167898.db2.gz WVUDUWRGPPTEGX-UONOGXRCSA-N 1 0 235.327 1.877 10 0 BDAERO Cc1cccc(OC[C@H](O)[C@@H]2CCCC[NH2+]2)c1 ZINC000034246854 179172382 /nfs/dbraw/zinc/17/23/82/179172382.db2.gz PMIQTCHQVGVLMI-KBPBESRZSA-N 1 0 235.327 1.877 10 0 BDAERO CC[C@@H](C)[NH2+]Cc1c(C)nn(C)c1N(C)C ZINC000309725137 347147027 /nfs/dbraw/zinc/14/70/27/347147027.db2.gz XMSBZJIAGMVKOW-SECBINFHSA-N 1 0 224.352 1.683 10 0 BDAERO COC(CCCC[NH+]1CCC(O)CC1)OC ZINC000034521656 347150324 /nfs/dbraw/zinc/15/03/24/347150324.db2.gz KWMGMOOHOXNWBO-UHFFFAOYSA-N 1 0 231.336 1.232 10 0 BDAERO C[NH2+][C@@H](CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000038525602 347164688 /nfs/dbraw/zinc/16/46/88/347164688.db2.gz KYUONRYHQWDVRC-ZDUSSCGKSA-N 1 0 249.314 1.951 10 0 BDAERO C[C@@H]1CC[C@]2(C1)[NH2+]CCc1ncn(C)c12 ZINC000725242715 537986952 /nfs/dbraw/zinc/98/69/52/537986952.db2.gz MUSNDBBYHNIXQJ-BXKDBHETSA-N 1 0 205.305 1.581 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000382116531 347192476 /nfs/dbraw/zinc/19/24/76/347192476.db2.gz MGYHYMFDAFVZMM-IJLUTSLNSA-N 1 0 229.320 1.297 10 0 BDAERO C[C@](CC[NH3+])(NC(=O)C1CCCC1)C(F)F ZINC000669380374 537987186 /nfs/dbraw/zinc/98/71/86/537987186.db2.gz LLNHTSIPPLQHMD-LLVKDONJSA-N 1 0 234.290 1.665 10 0 BDAERO COC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309962514 347207822 /nfs/dbraw/zinc/20/78/22/347207822.db2.gz LYZOIRCNKZCCLE-GRYCIOLGSA-N 1 0 233.327 1.502 10 0 BDAERO Cc1cccc([C@@H](O)CN2CCC([NH3+])CC2)c1 ZINC000070459743 179186583 /nfs/dbraw/zinc/18/65/83/179186583.db2.gz QVGWFFOBVGYEMX-AWEZNQCLSA-N 1 0 234.343 1.452 10 0 BDAERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCOCC2)c1 ZINC000042965348 179188760 /nfs/dbraw/zinc/18/87/60/179188760.db2.gz QICASLPORIUNCC-TZMCWYRMSA-N 1 0 234.343 1.716 10 0 BDAERO C[C@@H]([NH3+])c1ccc(Cn2ccnc2)cc1 ZINC000059834944 347231164 /nfs/dbraw/zinc/23/11/64/347231164.db2.gz HYXVSPFIELVLJR-SNVBAGLBSA-N 1 0 201.273 1.951 10 0 BDAERO CC[S@](=O)[C@@H]1[C@H](C)C[C@@H](C)C[C@@H]1[NH3+] ZINC000250229186 362796752 /nfs/dbraw/zinc/79/67/52/362796752.db2.gz DCQBZYRHSJRMEU-YANYRWCTSA-N 1 0 203.351 1.517 10 0 BDAERO CN(Cc1ccccc1)[C@@H](C[NH3+])[C@H]1CCCO1 ZINC000250237991 362796834 /nfs/dbraw/zinc/79/68/34/362796834.db2.gz PFQYGIUWCFMNRW-UONOGXRCSA-N 1 0 234.343 1.625 10 0 BDAERO CC[S@](=O)[C@H]1CCC(C)(C)[C@H]1[NH2+]C ZINC000250241090 362796964 /nfs/dbraw/zinc/79/69/64/362796964.db2.gz LILQOJRJJZQMJH-RVBZMBCESA-N 1 0 203.351 1.532 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000250365845 362800936 /nfs/dbraw/zinc/80/09/36/362800936.db2.gz UURFXYSZQNJMGP-RXGFPQBGSA-N 1 0 238.375 1.925 10 0 BDAERO Cc1cccc([C@](C)([NH3+])c2cnn(C)c2)c1 ZINC000043461968 179205742 /nfs/dbraw/zinc/20/57/42/179205742.db2.gz QGIDFDJIGIYFFM-ZDUSSCGKSA-N 1 0 215.300 1.951 10 0 BDAERO C[N@H+]([C@@H]1CCOC1)[C@H]1CCCCCC1=O ZINC000250436636 362804811 /nfs/dbraw/zinc/80/48/11/362804811.db2.gz SDSMHYZATJJJTO-MNOVXSKESA-N 1 0 211.305 1.609 10 0 BDAERO CN([C@@H]1CC[NH2+]C1)[C@H]1CCCSC1 ZINC000250488549 362806328 /nfs/dbraw/zinc/80/63/28/362806328.db2.gz XLHTULGEEWYYQU-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO CCO[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)C2)C1 ZINC000250501780 362807252 /nfs/dbraw/zinc/80/72/52/362807252.db2.gz LMYUJIYQJAZNCW-CMPLNLGQSA-N 1 0 211.305 1.609 10 0 BDAERO CC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250512379 362807483 /nfs/dbraw/zinc/80/74/83/362807483.db2.gz CVFZQRKXCACTBB-RYUDHWBXSA-N 1 0 211.305 1.202 10 0 BDAERO Cc1cccc2c(=O)c3c([nH]c12)CC[NH2+]C3 ZINC000077259447 179208034 /nfs/dbraw/zinc/20/80/34/179208034.db2.gz SDUQUJJHVJOHHG-UHFFFAOYSA-N 1 0 214.268 1.482 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N2CCCC[C@@H]2CO)c1 ZINC000042966821 179198836 /nfs/dbraw/zinc/19/88/36/179198836.db2.gz VJMKWEICQAGMTD-CABCVRRESA-N 1 0 248.370 1.842 10 0 BDAERO Cc1cccc([C@H]([NH3+])CO)c1Br ZINC000072198656 179200075 /nfs/dbraw/zinc/20/00/75/179200075.db2.gz WXNCSCVAJMMTIP-MRVPVSSYSA-N 1 0 230.105 1.750 10 0 BDAERO Clc1ccc(NC[C@@H]2C[NH2+]CCCO2)nc1 ZINC000390162954 347267602 /nfs/dbraw/zinc/26/76/02/347267602.db2.gz ALYMXGMDMOVMQI-JTQLQIEISA-N 1 0 241.722 1.525 10 0 BDAERO Cc1cccc([C@H]([NH2+]C(C)C)C(N)=O)c1 ZINC000037869312 179201628 /nfs/dbraw/zinc/20/16/28/179201628.db2.gz PQZZIRCWMPKUNP-NSHDSACASA-N 1 0 206.289 1.519 10 0 BDAERO Cc1cccc([C@H]([NH2+]C(C)C)C(N)=O)c1C ZINC000043315250 179201806 /nfs/dbraw/zinc/20/18/06/179201806.db2.gz OQFHSUNWMASTDB-LBPRGKRZSA-N 1 0 220.316 1.828 10 0 BDAERO CCCC[C@H](C)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000300893170 347274051 /nfs/dbraw/zinc/27/40/51/347274051.db2.gz HVRCCZUBGLMVTP-AXFHLTTASA-N 1 0 212.337 1.618 10 0 BDAERO Cc1cccc2c1C(=O)NC1(CC[NH2+]CC1)O2 ZINC000095919591 179213168 /nfs/dbraw/zinc/21/31/68/179213168.db2.gz KAGRLPDLOIRGLP-UHFFFAOYSA-N 1 0 232.283 1.197 10 0 BDAERO Cc1cccc2c1S(=O)(=O)C[C@H](C)[C@H]2[NH3+] ZINC000037665959 179222581 /nfs/dbraw/zinc/22/25/81/179222581.db2.gz WHAKFFXABRNGFF-WCBMZHEXSA-N 1 0 225.313 1.418 10 0 BDAERO CC1(C)C[S@](=O)[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250779164 362820841 /nfs/dbraw/zinc/82/08/41/362820841.db2.gz BSVJUINVIKBMRR-ZDMBXUJBSA-N 1 0 201.335 1.428 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCS[C@H](C)C1 ZINC000193252320 347393813 /nfs/dbraw/zinc/39/38/13/347393813.db2.gz GTBPGMHCLSACHY-VXGBXAGGSA-N 1 0 247.404 1.601 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1[S@](=O)C1CCCC1 ZINC000251086928 362837423 /nfs/dbraw/zinc/83/74/23/362837423.db2.gz HUXMMPIRRUDLCA-DRCTWCGVSA-N 1 0 215.362 1.805 10 0 BDAERO Cc1cccc2sc(NCC[NH3+])nc21 ZINC000062201947 179234129 /nfs/dbraw/zinc/23/41/29/179234129.db2.gz VJNDMXJVZVXUNK-UHFFFAOYSA-N 1 0 207.302 1.975 10 0 BDAERO Cc1ccccc1C(=O)N(C)C[C@H](C)C[NH3+] ZINC000042454939 179245620 /nfs/dbraw/zinc/24/56/20/179245620.db2.gz NQERHZUTGUCWIP-SNVBAGLBSA-N 1 0 220.316 1.662 10 0 BDAERO C[C@@H]1OCC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000149771621 347515940 /nfs/dbraw/zinc/51/59/40/347515940.db2.gz GSRJFMJBLOARQZ-SDDRHHMPSA-N 1 0 240.347 1.060 10 0 BDAERO CCC[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1CC ZINC000616569230 347592057 /nfs/dbraw/zinc/59/20/57/347592057.db2.gz GZNMLXUYCCHBMR-TUAOUCFPSA-N 1 0 226.364 1.927 10 0 BDAERO C=CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616569268 347643363 /nfs/dbraw/zinc/64/33/63/347643363.db2.gz HWNFYTKTWZTZOM-CHWSQXEVSA-N 1 0 230.311 1.434 10 0 BDAERO Cc1ccccc1C[NH2+][C@H](C)C(=O)N(C)C ZINC000035140712 179284055 /nfs/dbraw/zinc/28/40/55/179284055.db2.gz AFLWIQLWMYCWTB-LLVKDONJSA-N 1 0 220.316 1.561 10 0 BDAERO NC(=S)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000036810043 347776138 /nfs/dbraw/zinc/77/61/38/347776138.db2.gz NZSKPSOZHJXHLX-UWVGGRQHSA-N 1 0 212.362 1.785 10 0 BDAERO Cc1ccccc1N(C)C(=O)[C@H]([NH3+])C(C)C ZINC000077506223 179294365 /nfs/dbraw/zinc/29/43/65/179294365.db2.gz ACNSXEWXLKYBGP-GFCCVEGCSA-N 1 0 220.316 1.941 10 0 BDAERO Cc1ccccc1N(C)c1nccnc1C(N)=[NH2+] ZINC000054380156 179294401 /nfs/dbraw/zinc/29/44/01/179294401.db2.gz VCQYXQQCNORODW-UHFFFAOYSA-N 1 0 241.298 1.837 10 0 BDAERO Cc1ccccc1Cn1cnc(CC[NH3+])c1 ZINC000071519332 179294803 /nfs/dbraw/zinc/29/48/03/179294803.db2.gz KHPJQQMAVMETSI-UHFFFAOYSA-N 1 0 215.300 1.741 10 0 BDAERO Cc1ccccc1N1C[C@H](C[NH3+])OC1=O ZINC000019669037 179296138 /nfs/dbraw/zinc/29/61/38/179296138.db2.gz RHQIZQWNWDSZPD-VIFPVBQESA-N 1 0 206.245 1.279 10 0 BDAERO Cc1ccccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000129055036 179302450 /nfs/dbraw/zinc/30/24/50/179302450.db2.gz DXDZJVRFVPJZDP-SNVBAGLBSA-N 1 0 218.300 1.789 10 0 BDAERO Cc1ccccc1NC(=O)CN(C)[C@@H](C)CC[NH3+] ZINC000063086739 179298466 /nfs/dbraw/zinc/29/84/66/179298466.db2.gz IZQGLRWPFKEELO-LBPRGKRZSA-N 1 0 249.358 1.603 10 0 BDAERO CC[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1[NH3+] ZINC000616569791 347832745 /nfs/dbraw/zinc/83/27/45/347832745.db2.gz KERZJYVFOUODKU-PWSUYJOCSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])CCN1CCC(O)CC1 ZINC000054015303 179325108 /nfs/dbraw/zinc/32/51/08/179325108.db2.gz GWWOPHJWOLTYGU-HNNXBMFYSA-N 1 0 248.370 1.842 10 0 BDAERO Cc1ccccc1[C@H](C)N1C[C@@H]([NH3+])CC1=O ZINC000049526777 179335608 /nfs/dbraw/zinc/33/56/08/179335608.db2.gz NKNAUYTWBDGGPV-QWRGUYRKSA-N 1 0 218.300 1.616 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC000179059627 179338421 /nfs/dbraw/zinc/33/84/21/179338421.db2.gz HFDOOCKDTKBKLN-CMPLNLGQSA-N 1 0 218.300 1.534 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000178680338 179330565 /nfs/dbraw/zinc/33/05/65/179330565.db2.gz YXYCRXOSRFWAQW-XBFCOCLRSA-N 1 0 246.354 1.952 10 0 BDAERO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccccc1 ZINC000037161402 348026505 /nfs/dbraw/zinc/02/65/05/348026505.db2.gz CXGLDXBYTWXOBE-ZDUSSCGKSA-N 1 0 234.343 1.937 10 0 BDAERO NC(=[NH2+])c1ccc(O)cc1C(F)(F)F ZINC000036949594 347978748 /nfs/dbraw/zinc/97/87/48/347978748.db2.gz DKWIMIFLYVJOKW-UHFFFAOYSA-N 1 0 204.151 1.695 10 0 BDAERO COCCC(=O)NCc1cccc([C@@H](C)[NH3+])c1 ZINC000616570689 348079621 /nfs/dbraw/zinc/07/96/21/348079621.db2.gz BYKCLNNLKZGUGI-SNVBAGLBSA-N 1 0 236.315 1.359 10 0 BDAERO Cc1ccccc1[C@H](C[NH3+])N1CCC(CO)CC1 ZINC000020178955 179342614 /nfs/dbraw/zinc/34/26/14/179342614.db2.gz SCXSHVJWIVUMJE-HNNXBMFYSA-N 1 0 248.370 1.699 10 0 BDAERO Cc1cccnc1-c1ncc(C[NH3+])cn1 ZINC000054855395 179357430 /nfs/dbraw/zinc/35/74/30/179357430.db2.gz CKNLNCLDRJMFBH-UHFFFAOYSA-N 1 0 200.245 1.306 10 0 BDAERO Cc1ccccc1[C@](C)([NH2+]CC1CC1)C(N)=O ZINC000037952185 179350605 /nfs/dbraw/zinc/35/06/05/179350605.db2.gz IRIXWNNZYWDPIV-AWEZNQCLSA-N 1 0 232.327 1.695 10 0 BDAERO Cc1ccccc1[C@H]1C[C@H]1C(=O)NCC[NH3+] ZINC000237683218 179350992 /nfs/dbraw/zinc/35/09/92/179350992.db2.gz JCJRGTIWGRYPFR-VXGBXAGGSA-N 1 0 218.300 1.173 10 0 BDAERO Cc1ccccc1[S@](=O)[C@H]1CC[NH2+]C1 ZINC000083296184 179352283 /nfs/dbraw/zinc/35/22/83/179352283.db2.gz FXHIYZWOGFEOBJ-HZMBPMFUSA-N 1 0 209.314 1.465 10 0 BDAERO COC(=O)[C@@]1(C(C)C)O[C@@]1(C)CC[NH+](C)C ZINC000669382248 537999389 /nfs/dbraw/zinc/99/93/89/537999389.db2.gz BZGRBRURAZDGAN-NWDGAFQWSA-N 1 0 229.320 1.295 10 0 BDAERO CCOC(=O)[C@@]1(CC)O[C@@]1(C)CC[NH+](C)C ZINC000669382316 537999695 /nfs/dbraw/zinc/99/96/95/537999695.db2.gz GCXCCDJZFRIBEJ-NWDGAFQWSA-N 1 0 229.320 1.439 10 0 BDAERO CC[C@H](C)[S@](=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000251402279 362870524 /nfs/dbraw/zinc/87/05/24/362870524.db2.gz ZHRYBDYMSBZTGA-WJZNIJOASA-N 1 0 203.351 1.804 10 0 BDAERO C[C@H]1CCCN(c2cc(N)c(N)c[nH+]2)[C@H]1C ZINC000669382461 538001115 /nfs/dbraw/zinc/00/11/15/538001115.db2.gz AILUVOYZPGXQSK-IUCAKERBSA-N 1 0 220.320 1.871 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]2[C@@H](CCC2(C)C)[S@]1=O ZINC000251675026 362897074 /nfs/dbraw/zinc/89/70/74/362897074.db2.gz HNSMDFLLUKPMBA-LHGDZMGGSA-N 1 0 201.335 1.284 10 0 BDAERO Cc1ccn(-c2ncccc2C[NH2+]C2CC2)n1 ZINC000052885116 179399612 /nfs/dbraw/zinc/39/96/12/179399612.db2.gz WDWCDEXHNHLUQQ-UHFFFAOYSA-N 1 0 228.299 1.828 10 0 BDAERO C[C@H](CC(C)(C)O)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000394971700 323184906 /nfs/dbraw/zinc/18/49/06/323184906.db2.gz ABTMRZPNPJFRAA-KXNHARMFSA-N 1 0 241.375 1.939 10 0 BDAERO C[C@@H]1C[NH2+][C@@H]2CCCC[C@H]2[S@](=O)C1 ZINC000251732536 362903513 /nfs/dbraw/zinc/90/35/13/362903513.db2.gz KJYSEOOMMMUVSV-VWMGYNLJSA-N 1 0 201.335 1.286 10 0 BDAERO C[NH2+]C[C@H](Cc1cccc(O)c1)N(C)C ZINC000498035908 362926068 /nfs/dbraw/zinc/92/60/68/362926068.db2.gz XWTOXXBERRGGLY-NSHDSACASA-N 1 0 208.305 1.084 10 0 BDAERO Cc1ccoc1C(=O)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063212287 179507875 /nfs/dbraw/zinc/50/78/75/179507875.db2.gz GVOKUROJIFVCIG-GHMZBOCLSA-N 1 0 236.315 1.978 10 0 BDAERO Cc1ccsc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282502182 179549534 /nfs/dbraw/zinc/54/95/34/179549534.db2.gz WSSXIWHRJSPSHD-NXEZZACHSA-N 1 0 238.356 1.813 10 0 BDAERO CCOc1cc(N[C@@H](CC[NH3+])C(F)F)ncn1 ZINC000383426096 348624977 /nfs/dbraw/zinc/62/49/77/348624977.db2.gz GQNLIILPASKBJE-ZETCQYMHSA-N 1 0 246.261 1.270 10 0 BDAERO [NH3+][C@@H]1C[C@]12CNc1c2c(Cl)ccc1F ZINC000725246934 538008657 /nfs/dbraw/zinc/00/86/57/538008657.db2.gz BHDRKHKJCDAVLQ-XCBNKYQSSA-N 1 0 212.655 1.873 10 0 BDAERO COC(=O)[C@]1(C)O[C@@]12CCC[C@H]([NH+](C)C)C2 ZINC000669383583 538009961 /nfs/dbraw/zinc/00/99/61/538009961.db2.gz SKZHONAOOLWOIX-ZMLRMANQSA-N 1 0 227.304 1.191 10 0 BDAERO C[C@@H](Nc1ncnc2[nH]ccc21)[C@H]1CCC[NH2+]C1 ZINC000420165861 192167680 /nfs/dbraw/zinc/16/76/80/192167680.db2.gz NPLYKVHUSWIFOS-ZJUUUORDSA-N 1 0 245.330 1.758 10 0 BDAERO CN(C)c1ccc2c(c1)NC[C@]21C[C@@H]1[NH3+] ZINC000725247136 538011390 /nfs/dbraw/zinc/01/13/90/538011390.db2.gz IPWOQVKMKPCIFH-NWDGAFQWSA-N 1 0 203.289 1.147 10 0 BDAERO COc1ccc(OC)c2c1NC[C@]21C[C@@H]1[NH3+] ZINC000725247484 538013669 /nfs/dbraw/zinc/01/36/69/538013669.db2.gz OFKMSOPHRVQJRO-CABZTGNLSA-N 1 0 220.272 1.098 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1[C@@H](C)[C@H](C)[NH3+] ZINC000251832067 362932156 /nfs/dbraw/zinc/93/21/56/362932156.db2.gz QBBMKSDBACKGMZ-VPOLOUISSA-N 1 0 200.326 1.221 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(CC(C)C)C(C)C ZINC000054075093 348877116 /nfs/dbraw/zinc/87/71/16/348877116.db2.gz ZGRUHIHXBGGIIY-SNVBAGLBSA-N 1 0 200.326 1.487 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@H]2CCO[C@H]2C)S1 ZINC000251832033 362932476 /nfs/dbraw/zinc/93/24/76/362932476.db2.gz PPWMQRACXXKCED-CSMHCCOUSA-N 1 0 200.307 1.245 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCc2ccccc21 ZINC000054290298 348962096 /nfs/dbraw/zinc/96/20/96/348962096.db2.gz ABERWPXZZUWPMV-LBPRGKRZSA-N 1 0 244.338 1.965 10 0 BDAERO CO[C@@]1(COc2ccc(F)cc2)CC[NH2+]C1 ZINC000616577138 349106915 /nfs/dbraw/zinc/10/69/15/349106915.db2.gz FJEBGBCVNLINBL-LBPRGKRZSA-N 1 0 225.263 1.583 10 0 BDAERO CN(C)c1nccnc1C[C@H]1CCC[NH2+]C1 ZINC000616575056 349085312 /nfs/dbraw/zinc/08/53/12/349085312.db2.gz DTXFBYQFQCZVSD-SNVBAGLBSA-N 1 0 220.320 1.085 10 0 BDAERO Cn1ncc2ccc([C@@H]3CCC[NH2+]C3)nc21 ZINC000616577076 349105191 /nfs/dbraw/zinc/10/51/91/349105191.db2.gz CXZZVPDIIPKGPZ-SECBINFHSA-N 1 0 216.288 1.435 10 0 BDAERO C/C=C\C(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616571807 349061238 /nfs/dbraw/zinc/06/12/38/349061238.db2.gz SAIASDZWJICAKF-UJQMYZCJSA-N 1 0 244.338 1.906 10 0 BDAERO C/C=C/C(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616571934 349064038 /nfs/dbraw/zinc/06/40/38/349064038.db2.gz OQHCZXQYRNHPLQ-YEMZYZDBSA-N 1 0 236.237 1.219 10 0 BDAERO C=CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000616572305 349065862 /nfs/dbraw/zinc/06/58/62/349065862.db2.gz RHFXXLGSMIUSBQ-GFCCVEGCSA-N 1 0 234.274 1.485 10 0 BDAERO COC(=O)CCCC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000599340984 349152350 /nfs/dbraw/zinc/15/23/50/349152350.db2.gz HWXUGSAQETVRAF-QWRGUYRKSA-N 1 0 211.305 1.814 10 0 BDAERO COC(=O)CCCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000599290390 349148288 /nfs/dbraw/zinc/14/82/88/349148288.db2.gz UYKUCPLULJWTEB-LBPRGKRZSA-N 1 0 240.347 1.110 10 0 BDAERO OC[C@@]1(Cc2ccc(Cl)cc2)C[NH2+]CCO1 ZINC000616577703 349118841 /nfs/dbraw/zinc/11/88/41/349118841.db2.gz ICBRHTJCODZZFK-GFCCVEGCSA-N 1 0 241.718 1.233 10 0 BDAERO COC(=O)CCCC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000599340983 349151698 /nfs/dbraw/zinc/15/16/98/349151698.db2.gz HWXUGSAQETVRAF-MNOVXSKESA-N 1 0 211.305 1.814 10 0 BDAERO COC(=O)CCCC[NH+]1[C@H](C)COC[C@H]1C ZINC000599299705 349141401 /nfs/dbraw/zinc/14/14/01/349141401.db2.gz NJIJKAYRQZASNE-GHMZBOCLSA-N 1 0 229.320 1.439 10 0 BDAERO COC(=O)CCCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000599434489 349174305 /nfs/dbraw/zinc/17/43/05/349174305.db2.gz BKRYRZUJIZMDHS-MNOVXSKESA-N 1 0 229.320 1.032 10 0 BDAERO COC(=O)CCCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000599433948 349174392 /nfs/dbraw/zinc/17/43/92/349174392.db2.gz NQRGXEVYEWLYIU-QWRGUYRKSA-N 1 0 229.320 1.175 10 0 BDAERO Cc1csc([C@H](C[NH3+])N2CCCC2)n1 ZINC000077304745 179797031 /nfs/dbraw/zinc/79/70/31/179797031.db2.gz YMMIMXZTJWLRQP-VIFPVBQESA-N 1 0 211.334 1.547 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCCC[C@H]1CN ZINC000253112284 349224150 /nfs/dbraw/zinc/22/41/50/349224150.db2.gz GXYJOVUNEITHRF-MNOVXSKESA-N 1 0 200.326 1.082 10 0 BDAERO C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000252182275 349198215 /nfs/dbraw/zinc/19/82/15/349198215.db2.gz QFIYMSZKYXBEPD-UTUOFQBUSA-N 1 0 224.348 1.681 10 0 BDAERO CCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246171448 535096001 /nfs/dbraw/zinc/09/60/01/535096001.db2.gz FODGHISKENMYMI-MNOVXSKESA-N 1 0 227.352 1.424 10 0 BDAERO O=Cc1cccc2c3c([nH]c21)C[NH2+]CC3 ZINC000725253755 538039661 /nfs/dbraw/zinc/03/96/61/538039661.db2.gz JWBJPPMBIAAEMD-UHFFFAOYSA-N 1 0 200.241 1.626 10 0 BDAERO CO[C@@H]1CN(C(C)(C)C[NH3+])CC[C@H]1C ZINC000299916836 350038454 /nfs/dbraw/zinc/03/84/54/350038454.db2.gz SUWYMHPJJSKPPQ-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO CC(C)[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000395762281 323241374 /nfs/dbraw/zinc/24/13/74/323241374.db2.gz MJKRUOLWGAGEFM-JHJVBQTASA-N 1 0 238.375 1.879 10 0 BDAERO CCCNC(=O)NC[C@@]1([NH3+])C[C@H](C)C[C@H](C)C1 ZINC000725254841 538048602 /nfs/dbraw/zinc/04/86/02/538048602.db2.gz GPLAXKXNELXCDY-PTEHBNRSSA-N 1 0 241.379 1.849 10 0 BDAERO CCCNC(=O)NCC1([NH3+])C[C@H](C)C[C@@H](C)C1 ZINC000725254840 538048716 /nfs/dbraw/zinc/04/87/16/538048716.db2.gz GPLAXKXNELXCDY-GHMZBOCLSA-N 1 0 241.379 1.849 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])CNC(=O)NC(C)C ZINC000725254855 538048730 /nfs/dbraw/zinc/04/87/30/538048730.db2.gz GZEMGRXXGUZMJW-RKDXNWHRSA-N 1 0 201.314 1.067 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1coc2ccccc21 ZINC000128730915 350086375 /nfs/dbraw/zinc/08/63/75/350086375.db2.gz CMFAAETWCKLWJU-VIFPVBQESA-N 1 0 204.229 1.308 10 0 BDAERO Cc1nc(NC(=O)c2c[nH+]ccc2N)sc1C ZINC000127571349 180015003 /nfs/dbraw/zinc/01/50/03/180015003.db2.gz OGHCDITXOWMTSO-UHFFFAOYSA-N 1 0 248.311 1.989 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCCOCC1 ZINC000383986988 350095725 /nfs/dbraw/zinc/09/57/25/350095725.db2.gz KUPLVOFRQGEFLE-NEPJUHHUSA-N 1 0 240.347 1.061 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CNC(=O)NC(C)(C)C ZINC000725255072 538049868 /nfs/dbraw/zinc/04/98/68/538049868.db2.gz QMZIGHGEQOZRIE-DTWKUNHWSA-N 1 0 215.341 1.458 10 0 BDAERO [NH2+]=C(C1CCCC1)N1CCS(=O)CC1 ZINC000062991999 350112702 /nfs/dbraw/zinc/11/27/02/350112702.db2.gz ZBMRLFOECFYSAL-UHFFFAOYSA-N 1 0 214.334 1.218 10 0 BDAERO Cc1nc([C@@]2(N)CC[N@@H+](C)C2)sc1C ZINC000061991785 180047522 /nfs/dbraw/zinc/04/75/22/180047522.db2.gz IVXQIAPBAIFAAE-SNVBAGLBSA-N 1 0 211.334 1.249 10 0 BDAERO Cc1nc([C@H]([NH3+])CO)sc1C(C)C ZINC000083343447 180052541 /nfs/dbraw/zinc/05/25/41/180052541.db2.gz WKNREWWUSSQCGM-SSDOTTSWSA-N 1 0 200.307 1.567 10 0 BDAERO CCCCNC(=O)NC[C@H]([NH3+])C1CCCC1 ZINC000725255265 538051044 /nfs/dbraw/zinc/05/10/44/538051044.db2.gz XTPLRCYODNXYLN-NSHDSACASA-N 1 0 227.352 1.603 10 0 BDAERO CC(C)C1([NH2+]CCOC[C@@H]2CCCO2)CC1 ZINC000382345677 350126136 /nfs/dbraw/zinc/12/61/36/350126136.db2.gz DWGIYLJRQZHEQX-LBPRGKRZSA-N 1 0 227.348 1.960 10 0 BDAERO Cc1nc2cc(CCOC(=O)CC[NH3+])ccc2o1 ZINC000077421148 180077190 /nfs/dbraw/zinc/07/71/90/180077190.db2.gz IKOYWVMAMBLZOA-UHFFFAOYSA-N 1 0 248.282 1.571 10 0 BDAERO CCN(c1ccc(C[NH3+])cc1F)S(C)(=O)=O ZINC000725255676 538053579 /nfs/dbraw/zinc/05/35/79/538053579.db2.gz HXNYRHAYAFFHSN-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO Cc1nc2cccnc2n1CC1CC[NH2+]CC1 ZINC000082656654 180107519 /nfs/dbraw/zinc/10/75/19/180107519.db2.gz YQJSOJZEJDGDPG-UHFFFAOYSA-N 1 0 230.315 1.739 10 0 BDAERO [NH3+][C@@H]1CCCN(C(=O)N2CCCCC2)C1 ZINC000085962581 490347212 /nfs/dbraw/zinc/34/72/12/490347212.db2.gz NUNJNTLGOOWYNP-SNVBAGLBSA-N 1 0 211.309 1.015 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC(C)(C)c1ccccc1 ZINC000304294110 350156859 /nfs/dbraw/zinc/15/68/59/350156859.db2.gz ZKHLMTRWZCJTHD-SNVBAGLBSA-N 1 0 220.316 1.646 10 0 BDAERO CCCC1(CCC)[C@@H]([NH3+])CS(=O)(=O)N1CC ZINC000725256517 538058398 /nfs/dbraw/zinc/05/83/98/538058398.db2.gz RRGCTMFDDAJRAO-JTQLQIEISA-N 1 0 248.392 1.318 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCc1cncn1C ZINC000313846418 350166113 /nfs/dbraw/zinc/16/61/13/350166113.db2.gz BNQIPRPPHAYROL-WCQYABFASA-N 1 0 237.347 1.198 10 0 BDAERO Cc1nc2ccccc2n1CC[NH2+]C1COC1 ZINC000158708269 180104140 /nfs/dbraw/zinc/10/41/40/180104140.db2.gz TXSFTNVTBFAVEY-UHFFFAOYSA-N 1 0 231.299 1.333 10 0 BDAERO Cc1cnc(N(C)[C@H]2CC[NH2+]C2)nc1Cl ZINC000095070578 191054546 /nfs/dbraw/zinc/05/45/46/191054546.db2.gz HNXRAHUFGAZSEB-QMMMGPOBSA-N 1 0 226.711 1.237 10 0 BDAERO CC(C)[C@H](C)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257273 538065221 /nfs/dbraw/zinc/06/52/21/538065221.db2.gz JKDFPFIUPJKVPK-VIFPVBQESA-N 1 0 248.334 1.354 10 0 BDAERO Cc1ncc([C@H]2[C@@H]([NH3+])CCCN2C)s1 ZINC000076643717 180175027 /nfs/dbraw/zinc/17/50/27/180175027.db2.gz NJIMDEYKEKJOQF-WCBMZHEXSA-N 1 0 211.334 1.546 10 0 BDAERO Cc1ncc(COC[C@@H]2CCC[NH2+]2)s1 ZINC000062336960 180160095 /nfs/dbraw/zinc/16/00/95/180160095.db2.gz CZXJGQSSKHOQON-VIFPVBQESA-N 1 0 212.318 1.720 10 0 BDAERO Cc1ncc(COC[C@H]2CCC[NH2+]C2)s1 ZINC000062336957 180160449 /nfs/dbraw/zinc/16/04/49/180160449.db2.gz ZBWKLDKLMCWTHF-JTQLQIEISA-N 1 0 226.345 1.968 10 0 BDAERO Cc1ncc(CSC(N)=[NH2+])c(C)c1O ZINC000039109053 180162294 /nfs/dbraw/zinc/16/22/94/180162294.db2.gz OYUJGHXJUOWEJD-UHFFFAOYSA-N 1 0 211.290 1.531 10 0 BDAERO Cc1ncc(Cn2cccc2C[NH3+])s1 ZINC000082640493 180162966 /nfs/dbraw/zinc/16/29/66/180162966.db2.gz BEHKYPVZYWYVEE-UHFFFAOYSA-N 1 0 207.302 1.760 10 0 BDAERO Cc1ncc(CNC[C@@H]2CC[NH2+]C2)s1 ZINC000062117087 180152303 /nfs/dbraw/zinc/15/23/03/180152303.db2.gz SBQQOQYVDQNNBG-SECBINFHSA-N 1 0 211.334 1.151 10 0 BDAERO Cc1nccc(C[NH2+]C[C@@H]2CCCCO2)n1 ZINC000038038006 180190292 /nfs/dbraw/zinc/19/02/92/180190292.db2.gz NCMSZVYCRNBBQN-LBPRGKRZSA-N 1 0 221.304 1.444 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1C=CCC1 ZINC000084212422 490380999 /nfs/dbraw/zinc/38/09/99/490380999.db2.gz LKLBJYPPPCWRDN-SRVKXCTJSA-N 1 0 222.332 1.586 10 0 BDAERO Cc1nccc(N[C@@H](C)CCCC[NH3+])n1 ZINC000308877928 180202818 /nfs/dbraw/zinc/20/28/18/180202818.db2.gz DJIXCSVAFZUHNZ-VIFPVBQESA-N 1 0 208.309 1.714 10 0 BDAERO Cc1[nH+]ccc(N[C@@H]2C[C@H]2CO)c1Cl ZINC000307304797 180204911 /nfs/dbraw/zinc/20/49/11/180204911.db2.gz GZXARPWXYGZNBG-IONNQARKSA-N 1 0 212.680 1.836 10 0 BDAERO Cc1nccc(C[NH2+]C(C)(C)[C@@H](C)O)n1 ZINC000128155647 180188210 /nfs/dbraw/zinc/18/82/10/180188210.db2.gz XEIIKEMEWNARQA-MRVPVSSYSA-N 1 0 209.293 1.034 10 0 BDAERO Cc1ncccc1NC(=O)c1c[nH+]ccc1N ZINC000128105875 180226517 /nfs/dbraw/zinc/22/65/17/180226517.db2.gz JXGUEKSDMQKYMG-UHFFFAOYSA-N 1 0 228.255 1.620 10 0 BDAERO CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](C)C[C@@H]1C ZINC000222206964 350232679 /nfs/dbraw/zinc/23/26/79/350232679.db2.gz WGAIVROHOOKXPR-SCVCMEIPSA-N 1 0 212.337 1.665 10 0 BDAERO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](C)O ZINC000248715639 180264430 /nfs/dbraw/zinc/26/44/30/180264430.db2.gz DUZIPQHNXQPPFF-JQWIXIFHSA-N 1 0 223.320 1.037 10 0 BDAERO CC(C)C[C@@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000309298995 350269965 /nfs/dbraw/zinc/26/99/65/350269965.db2.gz SMYFJZCYKZYDPY-DTWKUNHWSA-N 1 0 243.269 1.296 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)N1C[C@@H](C)OC(C)(C)C1 ZINC000223376021 350274278 /nfs/dbraw/zinc/27/42/78/350274278.db2.gz PVTYKQLPBOVJQQ-OPRDCNLKSA-N 1 0 200.326 1.221 10 0 BDAERO Cc1nccn1Cc1ccc(C(N)=[NH2+])cc1 ZINC000019424083 180270032 /nfs/dbraw/zinc/27/00/32/180270032.db2.gz CZJPPXFFLGPMLL-UHFFFAOYSA-N 1 0 214.272 1.524 10 0 BDAERO Cc1ncn([C@@H](C[NH3+])c2ccccn2)c1C ZINC000051925769 180289898 /nfs/dbraw/zinc/28/98/98/180289898.db2.gz COLZIQYUDMVBLE-LBPRGKRZSA-N 1 0 216.288 1.443 10 0 BDAERO Cc1ncn([C@@H](C[NH3+])c2ccco2)c1C ZINC000051925628 180290125 /nfs/dbraw/zinc/29/01/25/180290125.db2.gz FEOMTEWQLKBHIC-JTQLQIEISA-N 1 0 205.261 1.641 10 0 BDAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000309344741 350326958 /nfs/dbraw/zinc/32/69/58/350326958.db2.gz WFAIMIFAPNDYTP-WDEREUQCSA-N 1 0 229.364 1.941 10 0 BDAERO Cc1nccnc1OCC1CC[NH2+]CC1 ZINC000095069464 180280210 /nfs/dbraw/zinc/28/02/10/180280210.db2.gz PYKDVDFFRNKHPA-UHFFFAOYSA-N 1 0 207.277 1.163 10 0 BDAERO CC(C)Cc1ncc(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000309339900 350322878 /nfs/dbraw/zinc/32/28/78/350322878.db2.gz JYFYBZJQGSUGHG-GXSJLCMTSA-N 1 0 240.372 1.812 10 0 BDAERO CC(C)(C)OCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324330191 350292458 /nfs/dbraw/zinc/29/24/58/350292458.db2.gz JYJPNIOJJRXSNF-SNVBAGLBSA-N 1 0 217.353 1.798 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCNC2=O)c1 ZINC000050395206 350340341 /nfs/dbraw/zinc/34/03/41/350340341.db2.gz JOFIZQKYZAICSH-DGCLKSJQSA-N 1 0 232.327 1.924 10 0 BDAERO Cc1ncsc1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000335913149 180304082 /nfs/dbraw/zinc/30/40/82/180304082.db2.gz CRRBBYRBTSLFJE-SFYZADRCSA-N 1 0 225.317 1.013 10 0 BDAERO Cc1ncsc1CC[N@@H+](C)CC1CC(O)C1 ZINC000084453808 180307412 /nfs/dbraw/zinc/30/74/12/180307412.db2.gz CYLPOOKAHJGLTO-UHFFFAOYSA-N 1 0 240.372 1.697 10 0 BDAERO Cc1ccc2c(c1)CCN(C(=[NH2+])NO)C2 ZINC000039105429 350332271 /nfs/dbraw/zinc/33/22/71/350332271.db2.gz AJOQBOKNPIZYNH-UHFFFAOYSA-N 1 0 205.261 1.267 10 0 BDAERO CCNC(=O)c1ccc2cc(CC[NH3+])oc2c1 ZINC000725264816 538091469 /nfs/dbraw/zinc/09/14/69/538091469.db2.gz FSWZVUVGIBKWOW-UHFFFAOYSA-N 1 0 232.283 1.684 10 0 BDAERO O=C(CC1CC1)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000725264302 538090958 /nfs/dbraw/zinc/09/09/58/538090958.db2.gz XGJCKFSEQGOAIS-LBPRGKRZSA-N 1 0 236.359 1.825 10 0 BDAERO C[C@H]1C[C@]2(C[N@@H+]1C)NC[C@@H](C)CS2 ZINC000226163226 350404070 /nfs/dbraw/zinc/40/40/70/350404070.db2.gz ICVAWAQBPAHPHQ-UTLUCORTSA-N 1 0 200.351 1.379 10 0 BDAERO Cc1nn(C)c(N(C)[C@@H](C)C(C)C)c1C[NH3+] ZINC000036787811 180352605 /nfs/dbraw/zinc/35/26/05/180352605.db2.gz ZHRBIJOBNNPEBE-JTQLQIEISA-N 1 0 224.352 1.668 10 0 BDAERO Cc1nn(C)c(N2CCC[C@H]2C)c1C[NH3+] ZINC000037911853 180356808 /nfs/dbraw/zinc/35/68/08/180356808.db2.gz JZJPWEGJJKMARY-MRVPVSSYSA-N 1 0 208.309 1.176 10 0 BDAERO Cc1nn(C)c(N2CC[C@@H](C)C2)c1C[NH3+] ZINC000040719212 180356816 /nfs/dbraw/zinc/35/68/16/180356816.db2.gz MSGRNVJGFFRFGX-MRVPVSSYSA-N 1 0 208.309 1.033 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CSCCS1 ZINC000226274084 350412305 /nfs/dbraw/zinc/41/23/05/350412305.db2.gz VAMPXXXKZWZLQZ-IVZWLZJFSA-N 1 0 233.402 1.338 10 0 BDAERO Cc1nn(C)c(NCC(C)(C)C[NH+](C)C)c1N ZINC000036749043 180358778 /nfs/dbraw/zinc/35/87/78/180358778.db2.gz HAHILLZSQUWYAJ-UHFFFAOYSA-N 1 0 239.367 1.310 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]1CN1CCSCC1 ZINC000226855354 350460396 /nfs/dbraw/zinc/46/03/96/350460396.db2.gz UIVSPAVVMRBCRT-NXEZZACHSA-N 1 0 200.351 1.033 10 0 BDAERO [NH3+][C@@H]1CC=C(C(=O)c2ccncc2F)C1 ZINC000226563512 350440290 /nfs/dbraw/zinc/44/02/90/350440290.db2.gz PADQTYGHQOKUSH-HTQZYQBOSA-N 1 0 206.220 1.307 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](n2cccn2)CC1 ZINC000616592451 350467591 /nfs/dbraw/zinc/46/75/91/350467591.db2.gz ALFBJUUYBOFLIX-LLVKDONJSA-N 1 0 209.293 1.512 10 0 BDAERO CCN(C(=O)C1CC[NH2+]CC1)[C@H]1CCSC1 ZINC000409433969 350473364 /nfs/dbraw/zinc/47/33/64/350473364.db2.gz NVKRXMCKVMZGMQ-NSHDSACASA-N 1 0 242.388 1.340 10 0 BDAERO Cc1ccc(C(=O)CN2CC([NH3+])C2)c(C)c1 ZINC000409424336 350476045 /nfs/dbraw/zinc/47/60/45/350476045.db2.gz UQDKSXAKFLOLFI-UHFFFAOYSA-N 1 0 218.300 1.129 10 0 BDAERO CCCCCNc1cc(OCC[NH3+])nc(C)n1 ZINC000409431346 350477685 /nfs/dbraw/zinc/47/76/85/350477685.db2.gz PQIFOEKTOYSMFK-UHFFFAOYSA-N 1 0 238.335 1.725 10 0 BDAERO c1nn(C[C@@H]2CCC[NH2+]2)cc1-c1ccncc1 ZINC000409437253 350480451 /nfs/dbraw/zinc/48/04/51/350480451.db2.gz FHKRBZBKBYCMQP-ZDUSSCGKSA-N 1 0 228.299 1.697 10 0 BDAERO OCCn1nc(-c2ccsc2)c2c1CC[NH2+]C2 ZINC000409437289 350480465 /nfs/dbraw/zinc/48/04/65/350480465.db2.gz FSHJLPJAXWSLJO-UHFFFAOYSA-N 1 0 249.339 1.250 10 0 BDAERO Clc1nsnc1NC1CC[NH2+]CC1 ZINC000409441818 350482055 /nfs/dbraw/zinc/48/20/55/350482055.db2.gz RGVCWTJDOBPWPW-UHFFFAOYSA-N 1 0 218.713 1.355 10 0 BDAERO C[NH2+]Cc1cc(-c2cnccn2)nn1C(C)C ZINC000409442839 350483048 /nfs/dbraw/zinc/48/30/48/350483048.db2.gz BTISLDAKPQFTEW-UHFFFAOYSA-N 1 0 231.303 1.640 10 0 BDAERO [NH3+]CCc1cc(-c2cnccn2)nn1C(F)F ZINC000409443288 350483073 /nfs/dbraw/zinc/48/30/73/350483073.db2.gz KNDIBFVZNMFRTE-UHFFFAOYSA-N 1 0 239.229 1.236 10 0 BDAERO c1cn(C[C@@H]2CCC[N@@H+]2CC2CCOCC2)cn1 ZINC000163165828 350508575 /nfs/dbraw/zinc/50/85/75/350508575.db2.gz FSXLPOYESAFWPC-AWEZNQCLSA-N 1 0 249.358 1.774 10 0 BDAERO Cc1nn(Cc2occc2C[NH3+])c(C)c1C ZINC000052577744 180392202 /nfs/dbraw/zinc/39/22/02/180392202.db2.gz MIGBCIIVMPLOSA-UHFFFAOYSA-N 1 0 219.288 1.908 10 0 BDAERO Cc1nn(CCc2ccccn2)c(C)c1CC[NH3+] ZINC000062802738 180388440 /nfs/dbraw/zinc/38/84/40/180388440.db2.gz WZFBZBQUQICUJU-UHFFFAOYSA-N 1 0 244.342 1.639 10 0 BDAERO Cc1nn(C[C@@H]2CCOC2)c(C)c1[C@@H](C)[NH3+] ZINC000054716541 180390562 /nfs/dbraw/zinc/39/05/62/180390562.db2.gz POGDWTQGABNQME-KCJUWKMLSA-N 1 0 223.320 1.556 10 0 BDAERO Cc1nnc(NC[C@H]2CC[C@H]([NH3+])C2)s1 ZINC000227642758 350505654 /nfs/dbraw/zinc/50/56/54/350505654.db2.gz MQNCBWNLRBIUMZ-YUMQZZPRSA-N 1 0 212.322 1.386 10 0 BDAERO CCc1nnc(C[NH+]2[C@@H](C)CC[C@@H]2C)n1C ZINC000177093169 365967930 /nfs/dbraw/zinc/96/79/30/365967930.db2.gz OETKRYZZOQEVBS-UWVGGRQHSA-N 1 0 222.336 1.750 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000336652482 350581044 /nfs/dbraw/zinc/58/10/44/350581044.db2.gz IKSUCLIZZSFNFG-AVGNSLFASA-N 1 0 226.364 1.628 10 0 BDAERO Cc1nnc(S[C@@H](C[NH3+])c2ccncc2)n1C ZINC000104184540 180440207 /nfs/dbraw/zinc/44/02/07/180440207.db2.gz UEPGRCBFIXYLIC-JTQLQIEISA-N 1 0 249.343 1.311 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2ccccc2CO)CC1 ZINC000616595482 350608381 /nfs/dbraw/zinc/60/83/81/350608381.db2.gz WGPWCCWCIBLEEJ-CYBMUJFWSA-N 1 0 221.300 1.572 10 0 BDAERO CC1CC(C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000309493172 350615472 /nfs/dbraw/zinc/61/54/72/350615472.db2.gz SQLXVIMSKFVWBA-HSOILSAZSA-N 1 0 210.321 1.230 10 0 BDAERO CC(C)(C)N1CCCOC[C@H]1c1nc[nH]n1 ZINC000616597128 350639889 /nfs/dbraw/zinc/63/98/89/350639889.db2.gz NGBPWZAOECWRKD-VIFPVBQESA-N 1 0 224.308 1.367 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2conn2)CC1 ZINC000616596533 350634871 /nfs/dbraw/zinc/63/48/71/350634871.db2.gz ZLLSUHFOOCXEHO-SNVBAGLBSA-N 1 0 225.292 1.632 10 0 BDAERO CC[N@@H+]1CCOCC[C@H]1c1ccccc1C(N)=O ZINC000616597395 350652451 /nfs/dbraw/zinc/65/24/51/350652451.db2.gz DWHCDILUOPLDDD-ZDUSSCGKSA-N 1 0 248.326 1.569 10 0 BDAERO C[C@@H]1C[NH2+][C@@]2(CCC[C@H]2S(C)(=O)=O)S1 ZINC000251876821 362974547 /nfs/dbraw/zinc/97/45/47/362974547.db2.gz ULOCYYOSWOWOTE-HLTSFMKQSA-N 1 0 235.374 1.005 10 0 BDAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cccnn1 ZINC000616599689 350755127 /nfs/dbraw/zinc/75/51/27/350755127.db2.gz NGUGAWTYLVYSOG-GFCCVEGCSA-N 1 0 221.304 1.648 10 0 BDAERO CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C[NH3+] ZINC000238079716 350760031 /nfs/dbraw/zinc/76/00/31/350760031.db2.gz ZBNRVIGHEROTFW-DJLDLDEBSA-N 1 0 212.293 1.343 10 0 BDAERO C[C@@H]1CC[C@@H]2[NH2+]C[C@H](C)[S@](=O)[C@@H]2C1 ZINC000251895999 362979997 /nfs/dbraw/zinc/97/99/97/362979997.db2.gz SDWANRATIRKIFV-ASKWGEHWSA-N 1 0 201.335 1.284 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@](O)(C(F)(F)Br)C1 ZINC000401641021 362980842 /nfs/dbraw/zinc/98/08/42/362980842.db2.gz HQVKRHVIPRXYBV-NTSWFWBYSA-N 1 0 244.079 1.335 10 0 BDAERO CSc1ccsc1C(=O)N[C@@H]1C[C@H]1[NH3+] ZINC000306673405 350819760 /nfs/dbraw/zinc/81/97/60/350819760.db2.gz NOTIYYMNYSXEPZ-PHDIDXHHSA-N 1 0 228.342 1.299 10 0 BDAERO CC[C@@H]1CS[C@]2(CC[C@@H](C)OC2)[NH2+]1 ZINC000401688725 362982483 /nfs/dbraw/zinc/98/24/83/362982483.db2.gz ZAJXZFOVSABJSP-BBBLOLIVSA-N 1 0 201.335 1.997 10 0 BDAERO OCC[N@@H+]1CCC[C@H](c2ccno2)CC1 ZINC000616600108 350779664 /nfs/dbraw/zinc/77/96/64/350779664.db2.gz BHLHCEQLDPVAHS-JTQLQIEISA-N 1 0 210.277 1.236 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccccc2CO)C1 ZINC000616602543 350791703 /nfs/dbraw/zinc/79/17/03/350791703.db2.gz LFRDOFMJCDKVGO-AWEZNQCLSA-N 1 0 248.370 1.924 10 0 BDAERO Nc1ccc([C@H]2CCCC[N@H+](CCO)C2)cc1 ZINC000616604416 350793241 /nfs/dbraw/zinc/79/32/41/350793241.db2.gz NWPBFLZXKCHDHV-ZDUSSCGKSA-N 1 0 234.343 1.831 10 0 BDAERO Nc1cccc([C@H]2CCCCN(CC[NH3+])C2)n1 ZINC000616605338 350794898 /nfs/dbraw/zinc/79/48/98/350794898.db2.gz YUCSPAFLSRVLGY-NSHDSACASA-N 1 0 234.347 1.192 10 0 BDAERO CC[N@@H+]1CCC[C@H]1c1ccccc1C(N)=O ZINC000616606234 350797374 /nfs/dbraw/zinc/79/73/74/350797374.db2.gz CSOGSAVRBRMOGH-LBPRGKRZSA-N 1 0 218.300 1.942 10 0 BDAERO CNc1ccccc1[C@H]1CCCN1CC[NH3+] ZINC000616607816 350801867 /nfs/dbraw/zinc/80/18/67/350801867.db2.gz NABKPZDANSYLCG-CYBMUJFWSA-N 1 0 219.332 1.824 10 0 BDAERO OCCc1ccc([C@H]2CCC[N@H+]2CCO)cc1 ZINC000616608242 350803544 /nfs/dbraw/zinc/80/35/44/350803544.db2.gz NOAMKPIAWAEHGY-CQSZACIVSA-N 1 0 235.327 1.351 10 0 BDAERO OC[C@H]1CC[N@H+](C[C@@H]2CCCSC2)C1 ZINC000306682917 350839380 /nfs/dbraw/zinc/83/93/80/350839380.db2.gz TVFMKWBMQSXJIL-QWRGUYRKSA-N 1 0 215.362 1.444 10 0 BDAERO CC(C)C1(O)C[NH+](C[C@H]2CCCC2=O)C1 ZINC000306683331 350840644 /nfs/dbraw/zinc/84/06/44/350840644.db2.gz VMBRWGRXXSPEON-SNVBAGLBSA-N 1 0 211.305 1.058 10 0 BDAERO CC[C@@H]1CS[C@](C)([C@H]2CCCO2)[NH2+]1 ZINC000306703505 350852619 /nfs/dbraw/zinc/85/26/19/350852619.db2.gz GTGFNGMVTMQELC-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO CN(Cc1ccsc1)C1=[NH+]CCCN1 ZINC000306702976 350852733 /nfs/dbraw/zinc/85/27/33/350852733.db2.gz MFYUUDBNMGLAJW-UHFFFAOYSA-N 1 0 209.318 1.529 10 0 BDAERO OCCc1ccccc1[C@@H]1CCCC[N@H+]1CCO ZINC000616616421 350855373 /nfs/dbraw/zinc/85/53/73/350855373.db2.gz NSZALKNIYAYGSF-HNNXBMFYSA-N 1 0 249.354 1.741 10 0 BDAERO Nc1ccccc1[C@@H]1CCCCN1CC[NH3+] ZINC000616616686 350857646 /nfs/dbraw/zinc/85/76/46/350857646.db2.gz SZBZADCZBRJCOJ-ZDUSSCGKSA-N 1 0 219.332 1.755 10 0 BDAERO N[C@@H](C[NH3+])c1csc(Br)c1 ZINC000306709190 350859962 /nfs/dbraw/zinc/85/99/62/350859962.db2.gz LLLPDNIJJSNFLR-YFKPBYRVSA-N 1 0 221.123 1.469 10 0 BDAERO Cc1csc([C@@]2([NH3+])CSC[C@H]2C)n1 ZINC000306709262 350860002 /nfs/dbraw/zinc/86/00/02/350860002.db2.gz QLCLLIWSXKHVJM-HZGVNTEJSA-N 1 0 214.359 1.988 10 0 BDAERO CC[C@@](C)([NH3+])c1nccnc1C(F)F ZINC000306710106 350860078 /nfs/dbraw/zinc/86/00/78/350860078.db2.gz QHZQMTXZTDSFFK-SECBINFHSA-N 1 0 201.220 1.998 10 0 BDAERO COc1ncc(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)s1 ZINC000306674564 350825535 /nfs/dbraw/zinc/82/55/35/350825535.db2.gz QQOYLDAPWAKOED-RNFRBKRXSA-N 1 0 226.301 1.462 10 0 BDAERO C[C@H]([NH3+])[C@@](C)(O)Cc1ccc(Br)o1 ZINC000306676114 350827876 /nfs/dbraw/zinc/82/78/76/350827876.db2.gz VHXVNSZIOFLSDZ-RCOVLWMOSA-N 1 0 248.120 1.683 10 0 BDAERO C[C@@H]1CC[S@](=O)[C@H](C)[C@@H](C2CC2)[NH2+]1 ZINC000251620118 350899418 /nfs/dbraw/zinc/89/94/18/350899418.db2.gz HNXFTXDEYMUDFW-QKBQYUARSA-N 1 0 201.335 1.284 10 0 BDAERO CCNC(=[NH2+])N1CCSCC[C@H]1C ZINC000306732707 350902663 /nfs/dbraw/zinc/90/26/63/350902663.db2.gz MNGFRJPEYARPIJ-MRVPVSSYSA-N 1 0 201.339 1.358 10 0 BDAERO C[C@@H]1C[C@@](O)([C@H]2CCCC[NH2+]2)CS1 ZINC000251752562 350902696 /nfs/dbraw/zinc/90/26/96/350902696.db2.gz DFJIOFWCLITOJP-BBBLOLIVSA-N 1 0 201.335 1.385 10 0 BDAERO [NH3+]CCN1CCC(c2cccc(CO)c2)CC1 ZINC000616619139 350926713 /nfs/dbraw/zinc/92/67/13/350926713.db2.gz FZKQLTVBUXEXHG-UHFFFAOYSA-N 1 0 234.343 1.317 10 0 BDAERO OCCc1ccc(C2CC[NH+](CCO)CC2)cc1 ZINC000616619613 350927369 /nfs/dbraw/zinc/92/73/69/350927369.db2.gz PDLQUBMXHKUAJM-UHFFFAOYSA-N 1 0 249.354 1.393 10 0 BDAERO COc1ccc([C@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616619832 350928515 /nfs/dbraw/zinc/92/85/15/350928515.db2.gz BBTVDYMKGKFSSI-ZDUSSCGKSA-N 1 0 234.343 1.833 10 0 BDAERO CC[C@@H]([NH3+])CN(CCOC)Cc1ccccc1 ZINC000306742300 350931786 /nfs/dbraw/zinc/93/17/86/350931786.db2.gz VPXSSJVVGDSGAH-CQSZACIVSA-N 1 0 236.359 1.872 10 0 BDAERO Cc1cc(C[C@H]2C[NH2+]CCC2=O)cs1 ZINC000306713977 350873863 /nfs/dbraw/zinc/87/38/63/350873863.db2.gz WEHKDLVSMLTLQV-JTQLQIEISA-N 1 0 209.314 1.778 10 0 BDAERO CN(CCO)CC[N@H+](C)CC1CCCCC1 ZINC000623091448 350875285 /nfs/dbraw/zinc/87/52/85/350875285.db2.gz CGQPDNQZFQUYDF-UHFFFAOYSA-N 1 0 228.380 1.423 10 0 BDAERO CN(CC[N@H+](C)CCO)Cc1ccccc1F ZINC000623091722 350876388 /nfs/dbraw/zinc/87/63/88/350876388.db2.gz PMNXRSIWJKSASF-UHFFFAOYSA-N 1 0 240.322 1.182 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616620429 350938537 /nfs/dbraw/zinc/93/85/37/350938537.db2.gz JLPGEOCLIZPBEP-OAHLLOKOSA-N 1 0 248.370 1.360 10 0 BDAERO CC(C)NC(=[NH2+])N1CCC=C(Br)C1 ZINC000404136136 350967982 /nfs/dbraw/zinc/96/79/82/350967982.db2.gz CQUKMPGPIBXAFK-UHFFFAOYSA-N 1 0 246.152 1.904 10 0 BDAERO C[C@H](N)[C@H](C)[N@@H+]1CCSCC[C@@H]1C ZINC000306756164 350969557 /nfs/dbraw/zinc/96/95/57/350969557.db2.gz RCELMQIBSDNQOL-GUBZILKMSA-N 1 0 202.367 1.550 10 0 BDAERO C[NH2+]C[C@@H]1CCO[C@@H]1c1nc(C)cs1 ZINC000159716850 350984173 /nfs/dbraw/zinc/98/41/73/350984173.db2.gz QLPOMYKKXKOVRE-IUCAKERBSA-N 1 0 212.318 1.749 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)c1ccc(F)cc1 ZINC000159773062 350998883 /nfs/dbraw/zinc/99/88/83/350998883.db2.gz XTXPWEGYNHJHEJ-KWQFWETISA-N 1 0 207.248 1.864 10 0 BDAERO [NH3+][C@@H](CCO)c1ccccc1OC(F)(F)F ZINC000052126862 350951235 /nfs/dbraw/zinc/95/12/35/350951235.db2.gz BKXKVDLYAOFWMJ-QMMMGPOBSA-N 1 0 235.205 1.967 10 0 BDAERO O=CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000306774735 351015946 /nfs/dbraw/zinc/01/59/46/351015946.db2.gz KJEDJTDIMCZWLG-SOUVJXGZSA-N 1 0 244.338 1.643 10 0 BDAERO [NH3+][C@@H](Cc1csnn1)c1cccnc1 ZINC000306787587 351032462 /nfs/dbraw/zinc/03/24/62/351032462.db2.gz WCGBYAGHYFKSGK-VIFPVBQESA-N 1 0 206.274 1.176 10 0 BDAERO C[C@@H]([NH3+])C[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000306785186 351036862 /nfs/dbraw/zinc/03/68/62/351036862.db2.gz IZQWJPPALKYSTC-RKDXNWHRSA-N 1 0 232.283 1.408 10 0 BDAERO FC(F)(F)C[C@H]1CCCN1C1C[NH2+]C1 ZINC000306794348 351043446 /nfs/dbraw/zinc/04/34/46/351043446.db2.gz HPIYQJISNJIYAY-SSDOTTSWSA-N 1 0 208.227 1.375 10 0 BDAERO CNc1ccccc1[C@@H]1CCC[N@H+](CCO)C1 ZINC000616621639 351043580 /nfs/dbraw/zinc/04/35/80/351043580.db2.gz UKKYWOWRDPKXDP-GFCCVEGCSA-N 1 0 234.343 1.900 10 0 BDAERO Cc1ncc(NC(=O)[C@@H]([NH3+])C(C)C)s1 ZINC000306806437 351056240 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ZINC000307282284 351846249 /nfs/dbraw/zinc/84/62/49/351846249.db2.gz KTTJXHAKOXTEML-QWHCGFSZSA-N 1 0 247.342 1.604 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638038678 351921892 /nfs/dbraw/zinc/92/18/92/351921892.db2.gz OVWIKPIUYMLQJL-DVVUODLYSA-N 1 0 208.305 1.339 10 0 BDAERO O[C@@H](c1cccc(Br)c1)C1C[NH2+]C1 ZINC000307297652 351904910 /nfs/dbraw/zinc/90/49/10/351904910.db2.gz UWEYSSCMDSSUSU-JTQLQIEISA-N 1 0 242.116 1.702 10 0 BDAERO CCOCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000083825828 351954501 /nfs/dbraw/zinc/95/45/01/351954501.db2.gz OLXIBMZSBSUZJR-STQMWFEESA-N 1 0 226.364 1.582 10 0 BDAERO CS[C@@H]1CCC[N@@H+]([C@H](C)[C@@H](C)N)CC1 ZINC000307317672 351991598 /nfs/dbraw/zinc/99/15/98/351991598.db2.gz LBAVSSASFUYYFZ-GMTAPVOTSA-N 1 0 216.394 1.940 10 0 BDAERO [NH3+]C1CN(Cc2coc(Br)c2)C1 ZINC000307317516 351991858 /nfs/dbraw/zinc/99/18/58/351991858.db2.gz KRTVZUFFNWXZPH-UHFFFAOYSA-N 1 0 231.093 1.185 10 0 BDAERO CCC[N@@H+]1CC[C@]2(C1)NC[C@@H](C)S2 ZINC000307346370 352101702 /nfs/dbraw/zinc/10/17/02/352101702.db2.gz LRRRYCSCCWYDGH-ZJUUUORDSA-N 1 0 200.351 1.523 10 0 BDAERO OCC[N@H+](Cc1ccccc1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000725270197 538102301 /nfs/dbraw/zinc/10/23/01/538102301.db2.gz YKMZOWWPRHZNMY-WDNDVIMCSA-N 1 0 233.311 1.126 10 0 BDAERO CC(C)c1nsc(N2CCC[C@@H](C[NH3+])C2)n1 ZINC000083651301 352222014 /nfs/dbraw/zinc/22/20/14/352222014.db2.gz MMJBWZLVABKAFD-VIFPVBQESA-N 1 0 240.376 1.837 10 0 BDAERO Cn1cc([C@@H]([NH3+])CCO)c2ccccc21 ZINC000044233627 352222986 /nfs/dbraw/zinc/22/29/86/352222986.db2.gz YBNWBQJIOPZAME-NSHDSACASA-N 1 0 204.273 1.561 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCC(OC)CC1 ZINC000638446438 352256458 /nfs/dbraw/zinc/25/64/58/352256458.db2.gz XQFUYRDZTGNGBH-WNYYMSAVSA-N 1 0 242.363 1.434 10 0 BDAERO CC(C)(C)c1ccc(C[C@H]([NH3+])CO)cc1 ZINC000020268055 363145756 /nfs/dbraw/zinc/14/57/56/363145756.db2.gz YEGLJTBUJZHJCW-LBPRGKRZSA-N 1 0 207.317 1.846 10 0 BDAERO C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@]23C[C@@H](CO2)[C@@H]13 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CCNC(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725271442 538103050 /nfs/dbraw/zinc/10/30/50/538103050.db2.gz NCMMWBGEEIVEOX-SNVBAGLBSA-N 1 0 219.288 1.774 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC(C)C1 ZINC000638571551 352396892 /nfs/dbraw/zinc/39/68/92/352396892.db2.gz UIEZCKQZYPHZBQ-WFBLGPOFSA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H](NC1=[NH+]CCS1)c1csnn1 ZINC000307364063 352448703 /nfs/dbraw/zinc/44/87/03/352448703.db2.gz JUMBHIRTDDYFTO-RXMQYKEDSA-N 1 0 214.319 1.292 10 0 BDAERO COCCC[NH2+]CC12CCC(C)(CC1)OC2 ZINC000725271956 538103759 /nfs/dbraw/zinc/10/37/59/538103759.db2.gz FBPBWNRUUSVDLD-UHFFFAOYSA-N 1 0 227.348 1.962 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC(F)(F)C[C@@H]1C ZINC000638629341 352470009 /nfs/dbraw/zinc/47/00/09/352470009.db2.gz GSENAKJIYUAWIQ-JGVFFNPUSA-N 1 0 220.263 1.241 10 0 BDAERO C[C@@H]1CS[C@@](C)([C@H]2CCCC[NH2+]2)N1 ZINC000307373534 352472186 /nfs/dbraw/zinc/47/21/86/352472186.db2.gz SGWZBFOOQXUAPO-BBBLOLIVSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040176498 352480811 /nfs/dbraw/zinc/48/08/11/352480811.db2.gz HDIZNYDTMWLLGK-FHUSYTEZSA-N 1 0 238.375 1.877 10 0 BDAERO C[C@](F)(c1ccns1)[C@H]1CC[NH2+]C1 ZINC000307381078 352489240 /nfs/dbraw/zinc/48/92/40/352489240.db2.gz YVCSXUCNOOKXLN-IONNQARKSA-N 1 0 200.282 1.937 10 0 BDAERO C[C@@H]1C[N@@H+]([C@H]2CCC[C@@]34C[C@@H](CO3)[C@H]24)CCN1 ZINC000725272161 538104012 /nfs/dbraw/zinc/10/40/12/538104012.db2.gz YYRPQUCSZHAQDE-HTOAHKCRSA-N 1 0 236.359 1.238 10 0 BDAERO C[C@H]([NH3+])[C@H](C)NC(=O)c1sccc1F ZINC000307383820 352512347 /nfs/dbraw/zinc/51/23/47/352512347.db2.gz HTQQIVUBRHBWPE-WDSKDSINSA-N 1 0 216.281 1.353 10 0 BDAERO C[C@@H]1CC[N@@H+]([C@H](CN)[C@@H]2CCSC2)C1 ZINC000300231742 352557566 /nfs/dbraw/zinc/55/75/66/352557566.db2.gz IPMXDPORYBBEMB-GMTAPVOTSA-N 1 0 214.378 1.409 10 0 BDAERO COc1ncc([C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000307424126 352592344 /nfs/dbraw/zinc/59/23/44/352592344.db2.gz VDNLQUAARMRDJO-JGVFFNPUSA-N 1 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1.232 10 0 BDAERO COc1ccc([C@@H](O)[C@H](C)[NH3+])c(OC)c1OC ZINC000020216910 187763283 /nfs/dbraw/zinc/76/32/83/187763283.db2.gz OVTDGXPRELYHEH-XVKPBYJWSA-N 1 0 241.287 1.093 10 0 BDAERO C[C@H]([NH3+])C[S@](=O)CCOCc1ccccc1 ZINC000307405487 352580465 /nfs/dbraw/zinc/58/04/65/352580465.db2.gz FBDHFLQIVHSQGO-MEDUHNTESA-N 1 0 241.356 1.299 10 0 BDAERO Cc1csc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000307549536 352647146 /nfs/dbraw/zinc/64/71/46/352647146.db2.gz PSQVLIWESJGDKR-IONNQARKSA-N 1 0 211.334 1.861 10 0 BDAERO Cc1cc([C@H](O)C(C)(C)[NH+](C)C)sn1 ZINC000307553553 352648046 /nfs/dbraw/zinc/64/80/46/352648046.db2.gz RJLWLHVUFJSKQG-VIFPVBQESA-N 1 0 214.334 1.825 10 0 BDAERO CC[NH2+]C[C@H](COC)N(C)Cc1ccccc1 ZINC000232396955 352649548 /nfs/dbraw/zinc/64/95/48/352649548.db2.gz UUVFGIDLKONGDS-CQSZACIVSA-N 1 0 236.359 1.743 10 0 BDAERO COCCN(CCOC)c1cc(C)c(N)c[nH+]1 ZINC000036250824 187767804 /nfs/dbraw/zinc/76/78/04/187767804.db2.gz OZQPBGKSZIUDIW-UHFFFAOYSA-N 1 0 239.319 1.071 10 0 BDAERO Cc1ncc(Br)c(C2([NH3+])CC2)n1 ZINC000307585097 352662200 /nfs/dbraw/zinc/66/22/00/352662200.db2.gz KLNZNXOTGCENAH-UHFFFAOYSA-N 1 0 228.093 1.495 10 0 BDAERO [NH2+]=C1N[C@H](c2cccc(O)c2Cl)CO1 ZINC000307485089 352620243 /nfs/dbraw/zinc/62/02/43/352620243.db2.gz BNWKZJSDSVFAKA-LURJTMIESA-N 1 0 212.636 1.432 10 0 BDAERO c1c2c(cc3c1NCCN3)[C@@H]1C[C@H]2C[NH2+]C1 ZINC000725273302 538105015 /nfs/dbraw/zinc/10/50/15/538105015.db2.gz TWSXISPWLSJGNE-DTORHVGOSA-N 1 0 215.300 1.698 10 0 BDAERO Cc1ccccc1CN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104209610 187804251 /nfs/dbraw/zinc/80/42/51/187804251.db2.gz WOIKMSSWAHFMCM-JSGCOSHPSA-N 1 0 246.354 1.809 10 0 BDAERO Cc1oncc1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000104125249 187804932 /nfs/dbraw/zinc/80/49/32/187804932.db2.gz LIIFRAOXHPCJLI-MRVPVSSYSA-N 1 0 237.303 1.182 10 0 BDAERO C[C@@H]1C[C@@H]2[NH2+]C[C@H](C)S[C@@H]2[C@@H](C)O1 ZINC000252179136 363194043 /nfs/dbraw/zinc/19/40/43/363194043.db2.gz SPHIJUAGPDQHTQ-MQIGXGKASA-N 1 0 201.335 1.646 10 0 BDAERO FC(F)(F)c1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000083107004 187795615 /nfs/dbraw/zinc/79/56/15/187795615.db2.gz KUBLQMJBHWGEMD-LURJTMIESA-N 1 0 235.209 1.631 10 0 BDAERO Cc1cccc(S(=O)(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000083308737 187796316 /nfs/dbraw/zinc/79/63/16/187796316.db2.gz ORUJNGJRHBWALF-LLVKDONJSA-N 1 0 239.340 1.378 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])C[C@H](F)C1 ZINC000091692681 187799542 /nfs/dbraw/zinc/79/95/42/187799542.db2.gz RHXUKFGULJLRIL-BDAKNGLRSA-N 1 0 232.299 1.540 10 0 BDAERO C1COC2(CC[C@H]([NH2+][C@H]3CCCSC3)C2)O1 ZINC000307648143 352737718 /nfs/dbraw/zinc/73/77/18/352737718.db2.gz OKCDHSFOXFDQLT-QWRGUYRKSA-N 1 0 243.372 1.767 10 0 BDAERO CC1(C)SC[C@H]1[NH2+]CC1CCOCC1 ZINC000307526468 187830655 /nfs/dbraw/zinc/83/06/55/187830655.db2.gz JWVHTKFVTMFDJG-SNVBAGLBSA-N 1 0 215.362 1.897 10 0 BDAERO CC[C@@H](C[NH3+])[C@H](O)C1(SC)CCC1 ZINC000379354267 538105268 /nfs/dbraw/zinc/10/52/68/538105268.db2.gz HZOZFODHVSUBNX-IUCAKERBSA-N 1 0 203.351 1.618 10 0 BDAERO Cc1cc(C[C@@H]([NH3+])[C@@H]2CCOC2)cs1 ZINC000307687989 352921013 /nfs/dbraw/zinc/92/10/13/352921013.db2.gz FPUIIVQGXROODM-GHMZBOCLSA-N 1 0 211.330 1.963 10 0 BDAERO CCC[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000037090257 535191958 /nfs/dbraw/zinc/19/19/58/535191958.db2.gz HPBPGNQVGKIGTO-NSHDSACASA-N 1 0 220.320 1.445 10 0 BDAERO O=C(N[C@@H]1CCCC12CC2)[C@H]1CCC[NH2+]C1 ZINC000638833553 353015230 /nfs/dbraw/zinc/01/52/30/353015230.db2.gz YCXJLBHYFVVCNI-WDEREUQCSA-N 1 0 222.332 1.435 10 0 BDAERO CC(C)n1cc([C@@H]2OCC[C@H]2C[NH3+])cn1 ZINC000232867545 323946834 /nfs/dbraw/zinc/94/68/34/323946834.db2.gz SCRBMAXHJGZSOG-GXSJLCMTSA-N 1 0 209.293 1.500 10 0 BDAERO CN(Cc1ccccc1)CC(C)(C)NC(N)=[NH2+] ZINC000306598118 353028922 /nfs/dbraw/zinc/02/89/22/353028922.db2.gz OWYGGPVFCBVHNN-UHFFFAOYSA-N 1 0 234.347 1.380 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@](C)(CC)C1CC1 ZINC000638858317 353034460 /nfs/dbraw/zinc/03/44/60/353034460.db2.gz NNPCEEWEEQLGLG-CMPLNLGQSA-N 1 0 212.337 1.809 10 0 BDAERO CC[C@@](C)(NC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000638858394 353035114 /nfs/dbraw/zinc/03/51/14/353035114.db2.gz OTKPXBSNSQPREH-JOYOIKCWSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCCC12CC2 ZINC000638831803 353011981 /nfs/dbraw/zinc/01/19/81/353011981.db2.gz BSIXFSATITWGNB-TUAOUCFPSA-N 1 0 236.359 1.823 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@H]1CCCC12CC2 ZINC000638831932 353012615 /nfs/dbraw/zinc/01/26/15/353012615.db2.gz CBCOTBYAUIZABX-NEPJUHHUSA-N 1 0 236.359 1.968 10 0 BDAERO Cc1ncccc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638891665 353059601 /nfs/dbraw/zinc/05/96/01/353059601.db2.gz GXWMYEVIOQYBBY-ONGXEEELSA-N 1 0 233.315 1.057 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(F)c(Cl)c1 ZINC000083264029 538107280 /nfs/dbraw/zinc/10/72/80/538107280.db2.gz BCNDFSQLHXIYKO-VIFPVBQESA-N 1 0 203.644 1.861 10 0 BDAERO OC[C@@H]1C[N@H+](Cc2ccccc2)CC12COC2 ZINC000307703763 353047431 /nfs/dbraw/zinc/04/74/31/353047431.db2.gz VYGROBJPFWJQNH-ZDUSSCGKSA-N 1 0 233.311 1.127 10 0 BDAERO CCN(C)c1cc(N)[nH+]cc1Br ZINC000306969601 353048258 /nfs/dbraw/zinc/04/82/58/353048258.db2.gz IKXCFGRKSRSNGD-UHFFFAOYSA-N 1 0 230.109 1.882 10 0 BDAERO C[C@H]1CN(C(=O)c2cccs2)C[C@@H]1C[NH3+] ZINC000638887576 353049341 /nfs/dbraw/zinc/04/93/41/353049341.db2.gz WAYVXWXDTKNSFP-IUCAKERBSA-N 1 0 224.329 1.415 10 0 BDAERO C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@H]1C[NH3+] ZINC000638887683 353049550 /nfs/dbraw/zinc/04/95/50/353049550.db2.gz MKGWXMFDKDJXCP-PSASIEDQSA-N 1 0 249.314 1.219 10 0 BDAERO Cc1cccc(C)c1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638888566 353050038 /nfs/dbraw/zinc/05/00/38/353050038.db2.gz BMLJZOPHKXNZIG-OLZOCXBDSA-N 1 0 246.354 1.970 10 0 BDAERO C[C@H]1CN(C(=O)Cc2cccs2)C[C@H]1C[NH3+] ZINC000638883872 353050789 /nfs/dbraw/zinc/05/07/89/353050789.db2.gz BWJKSKJMSPUDDM-VHSXEESVSA-N 1 0 238.356 1.344 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1C[NH3+] ZINC000638883986 353050876 /nfs/dbraw/zinc/05/08/76/353050876.db2.gz DDLMHBZZFMSPSA-ZYHUDNBSSA-N 1 0 224.348 1.620 10 0 BDAERO C[C@H](C(=O)N1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000638889095 353050885 /nfs/dbraw/zinc/05/08/85/353050885.db2.gz CTYPRYPAJGBZHS-SGMGOOAPSA-N 1 0 246.354 1.843 10 0 BDAERO C[NH2+]CCNc1c(Br)c(C)nn1C ZINC000307704668 353051263 /nfs/dbraw/zinc/05/12/63/353051263.db2.gz TXKHRWBDMLGKGC-UHFFFAOYSA-N 1 0 247.140 1.122 10 0 BDAERO C[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1C[NH3+] ZINC000638884678 353051910 /nfs/dbraw/zinc/05/19/10/353051910.db2.gz IIRWRXTYPUONEM-MWLCHTKSSA-N 1 0 238.356 1.344 10 0 BDAERO C[C@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1C[NH3+] ZINC000638884680 353052085 /nfs/dbraw/zinc/05/20/85/353052085.db2.gz IIRWRXTYPUONEM-ONGXEEELSA-N 1 0 238.356 1.344 10 0 BDAERO COc1cccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638885230 353052146 /nfs/dbraw/zinc/05/21/46/353052146.db2.gz LYSJNNLHWWGTAJ-JQWIXIFHSA-N 1 0 248.326 1.362 10 0 BDAERO Cc1ccccc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638885299 353052762 /nfs/dbraw/zinc/05/27/62/353052762.db2.gz NLZZNJIQORSZGR-NWDGAFQWSA-N 1 0 232.327 1.662 10 0 BDAERO Cc1ncc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000638892894 353053946 /nfs/dbraw/zinc/05/39/46/353053946.db2.gz KDISPKBJTFUPSP-IONNQARKSA-N 1 0 239.344 1.118 10 0 BDAERO C[C@@H](C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)C(C)(C)C ZINC000638886962 353054001 /nfs/dbraw/zinc/05/40/01/353054001.db2.gz BQZFJVYYXBARHE-VWYCJHECSA-N 1 0 226.364 1.722 10 0 BDAERO [NH3+]C[C@@H](c1ccc(O)cc1)C1(CO)CCC1 ZINC000536955403 323965090 /nfs/dbraw/zinc/96/50/90/323965090.db2.gz YOZHZLVQNKJBEI-LBPRGKRZSA-N 1 0 221.300 1.597 10 0 BDAERO CC(C)([NH3+])CO[C@H]1CCCCC[C@H]1O ZINC000232574206 353136707 /nfs/dbraw/zinc/13/67/07/353136707.db2.gz BDZVCXFDQPIXLQ-ZJUUUORDSA-N 1 0 201.310 1.434 10 0 BDAERO C[C@H]1COCCN1C[C@@H]([NH3+])C(C)(C)C ZINC000223148650 353140868 /nfs/dbraw/zinc/14/08/68/353140868.db2.gz NKGHQVOOLJWYRL-VHSXEESVSA-N 1 0 200.326 1.081 10 0 BDAERO Cc1nc([C@H]([NH3+])[C@H]2CSCCO2)cs1 ZINC000307735684 353120787 /nfs/dbraw/zinc/12/07/87/353120787.db2.gz QVUABVOXVBQHHH-BDAKNGLRSA-N 1 0 230.358 1.583 10 0 BDAERO CCN1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336754649 353145559 /nfs/dbraw/zinc/14/55/59/353145559.db2.gz FTRYHXVZJHYGRF-CHWSQXEVSA-N 1 0 226.364 1.487 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](NC(=O)CC(F)(F)F)CC1 ZINC000638945778 353147513 /nfs/dbraw/zinc/14/75/13/353147513.db2.gz HVRXITXHWLAOHC-ZKCHVHJHSA-N 1 0 238.253 1.573 10 0 BDAERO CCn1ccc([C@H]2[NH2+]CC23CCOCC3)c1 ZINC000536958444 323970132 /nfs/dbraw/zinc/97/01/32/323970132.db2.gz FQTCONKVMDGCAT-GFCCVEGCSA-N 1 0 220.316 1.949 10 0 BDAERO C[C@H](C[S@](C)=O)[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000398838940 353166888 /nfs/dbraw/zinc/16/68/88/353166888.db2.gz IQZAUQBRMBRQAW-YRORDHRNSA-N 1 0 247.404 1.236 10 0 BDAERO C1CC1c1nn(C2CC2)c2c1CC[NH2+]C2 ZINC000215849619 538110939 /nfs/dbraw/zinc/11/09/39/538110939.db2.gz POYHEXBUDVIXNL-UHFFFAOYSA-N 1 0 203.289 1.741 10 0 BDAERO C[C@H](CC1CCC1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638996191 353239785 /nfs/dbraw/zinc/23/97/85/353239785.db2.gz KKYUESYMVRTHJJ-YUSALJHKSA-N 1 0 224.348 1.809 10 0 BDAERO Cc1nc([C@H](O)C(C)(C)C[NH3+])cs1 ZINC000127055952 353263298 /nfs/dbraw/zinc/26/32/98/353263298.db2.gz FDGCMRAJAOMOAG-QMMMGPOBSA-N 1 0 200.307 1.470 10 0 BDAERO CC1(C)Cc2nc(CO)sc2[C@@H]([NH3+])C1 ZINC000127204180 353265386 /nfs/dbraw/zinc/26/53/86/353265386.db2.gz RJFROYBCUKHQRB-LURJTMIESA-N 1 0 212.318 1.608 10 0 BDAERO O=[S@](C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000223181789 353319250 /nfs/dbraw/zinc/31/92/50/353319250.db2.gz PFPDGQVDOUENDF-QMTHXVAHSA-N 1 0 209.314 1.546 10 0 BDAERO [NH3+]C[C@]1([C@@H]2CCSC2)CCC[C@H]1O ZINC000405464822 353497891 /nfs/dbraw/zinc/49/78/91/353497891.db2.gz JMPBHIRBNJODNZ-BBBLOLIVSA-N 1 0 201.335 1.229 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCSC1 ZINC000038095346 188464450 /nfs/dbraw/zinc/46/44/50/188464450.db2.gz XCMBOKRECQWWEO-ZJUUUORDSA-N 1 0 201.335 1.651 10 0 BDAERO [NH3+]CCCc1cnn(-c2ccccc2F)c1 ZINC000054670277 188483960 /nfs/dbraw/zinc/48/39/60/188483960.db2.gz CPBCHAMHHYQMHF-UHFFFAOYSA-N 1 0 219.263 1.903 10 0 BDAERO CCn1cccc1C[NH2+]C[C@H](C)CCO ZINC000085610075 188481782 /nfs/dbraw/zinc/48/17/82/188481782.db2.gz QECYCWPXXVOTOX-LLVKDONJSA-N 1 0 210.321 1.616 10 0 BDAERO Cc1cccc(CCN2CC[C@@H]([NH3+])C2=O)c1 ZINC000051670380 188482519 /nfs/dbraw/zinc/48/25/19/188482519.db2.gz PJOIHTKIZYKNIE-GFCCVEGCSA-N 1 0 218.300 1.097 10 0 BDAERO Fc1cccc2cnn(CC3=[NH+]CCN3)c21 ZINC000073279884 181008060 /nfs/dbraw/zinc/00/80/60/181008060.db2.gz ACHNAGBGZCDLHG-UHFFFAOYSA-N 1 0 218.235 1.177 10 0 BDAERO C(OC[C@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000052154547 188515297 /nfs/dbraw/zinc/51/52/97/188515297.db2.gz ZPMNZDFBWCOMJY-GFCCVEGCSA-N 1 0 213.321 1.572 10 0 BDAERO Fc1cnc(OCCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095072042 181018125 /nfs/dbraw/zinc/01/81/25/181018125.db2.gz RTMRJUPBUDRCLT-JTQLQIEISA-N 1 0 239.294 1.774 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000086004503 491056088 /nfs/dbraw/zinc/05/60/88/491056088.db2.gz UGJQZAYPHXSMOD-CMPLNLGQSA-N 1 0 212.337 1.095 10 0 BDAERO CC1(C)C[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000045134186 188507299 /nfs/dbraw/zinc/50/72/99/188507299.db2.gz SQDIEQUQNGXBMP-SNVBAGLBSA-N 1 0 210.321 1.387 10 0 BDAERO O[C@@]12CCCC[C@H]1C[N@H+](CCn1ccnc1)CC2 ZINC000220391708 353838661 /nfs/dbraw/zinc/83/86/61/353838661.db2.gz JTMVGIDWAWFNEJ-UONOGXRCSA-N 1 0 249.358 1.510 10 0 BDAERO CN1C(=O)N(C2CCCC2)[C@H]2CC[NH2+]C[C@@H]21 ZINC000606303025 353858479 /nfs/dbraw/zinc/85/84/79/353858479.db2.gz DWMCMZVRKCMYAB-QWRGUYRKSA-N 1 0 223.320 1.027 10 0 BDAERO Cc1c(I)cncc1C[NH3+] ZINC000606303691 353860672 /nfs/dbraw/zinc/86/06/72/353860672.db2.gz ZVJDMRXNUGIXLN-UHFFFAOYSA-N 1 0 248.067 1.453 10 0 BDAERO C[C@@H]1C[N@H+](C)CC[C@H]1NC/C=C\Cl ZINC000308110551 353889678 /nfs/dbraw/zinc/88/96/78/353889678.db2.gz VWBJVPDQUNRBJV-QBNQYXCASA-N 1 0 202.729 1.669 10 0 BDAERO CC(C)C[C@H](C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000052946269 188516526 /nfs/dbraw/zinc/51/65/26/188516526.db2.gz SINWMNIXHVFEEW-NXEZZACHSA-N 1 0 219.350 1.042 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000231480293 363344415 /nfs/dbraw/zinc/34/44/15/363344415.db2.gz UGROSFSYFZFMLJ-MXWKQRLJSA-N 1 0 210.321 1.243 10 0 BDAERO COC(C)(C)[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000301029256 363344666 /nfs/dbraw/zinc/34/46/66/363344666.db2.gz UCSZHXHGPPJPCS-UWVGGRQHSA-N 1 0 200.326 1.223 10 0 BDAERO Cc1occc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113226527 354270220 /nfs/dbraw/zinc/27/02/20/354270220.db2.gz DJCXPDIQOSFXHV-JQWIXIFHSA-N 1 0 248.326 1.897 10 0 BDAERO CCc1nnc(CSCC[NH+](C)C)n1C ZINC000179166343 366216285 /nfs/dbraw/zinc/21/62/85/366216285.db2.gz SILOZVACVHBWEY-UHFFFAOYSA-N 1 0 228.365 1.172 10 0 BDAERO CCc1ncnc(NCC[C@H](C)[NH3+])c1F ZINC000234167435 363415321 /nfs/dbraw/zinc/41/53/21/363415321.db2.gz TWHGUOJDBOZETP-ZETCQYMHSA-N 1 0 212.272 1.327 10 0 BDAERO C[C@H](C[NH3+])CNc1nccc2occc21 ZINC000235463029 363445572 /nfs/dbraw/zinc/44/55/72/363445572.db2.gz WQYKCFIPXWEJQO-MRVPVSSYSA-N 1 0 205.261 1.835 10 0 BDAERO COC[C@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000234782723 363430129 /nfs/dbraw/zinc/43/01/29/363430129.db2.gz CCXJMSLVSZPWBK-MCIGGMRASA-N 1 0 215.337 1.410 10 0 BDAERO CC1(Cc2cn3ccsc3n2)C[NH2+]C1 ZINC000130597894 363433247 /nfs/dbraw/zinc/43/32/47/363433247.db2.gz QQXPBGMELZEESI-UHFFFAOYSA-N 1 0 207.302 1.548 10 0 BDAERO c1ccc2c(c1)OC[C@@H]2CN[C@H]1CC[NH2+]C1 ZINC000335222520 355063607 /nfs/dbraw/zinc/06/36/07/355063607.db2.gz HACUTPUBSIVZHW-QWRGUYRKSA-N 1 0 218.300 1.114 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)o1 ZINC000235634664 363449465 /nfs/dbraw/zinc/44/94/65/363449465.db2.gz UBLYWUYHCZDGFO-IONNQARKSA-N 1 0 208.261 1.007 10 0 BDAERO CC(C)c1nccnc1NC[C@@H](C)C[NH+](C)C ZINC000413300735 191370202 /nfs/dbraw/zinc/37/02/02/191370202.db2.gz JSQYIRQLRVHTLM-LLVKDONJSA-N 1 0 236.363 1.632 10 0 BDAERO C[C@@H]1C[C@@H](N2CC[C@](C)([NH3+])C2)CS1 ZINC000405791919 355295497 /nfs/dbraw/zinc/29/54/97/355295497.db2.gz LIVXMBNHOHICAI-BBBLOLIVSA-N 1 0 200.351 1.304 10 0 BDAERO N[NH+]=C(N)Cc1c(F)ccc(F)c1F ZINC000075932069 181185396 /nfs/dbraw/zinc/18/53/96/181185396.db2.gz LEEFZRIYGSRDLL-UHFFFAOYSA-N 1 0 203.167 1.087 10 0 BDAERO CCc1cc(N(C)CCC[NH3+])nc(C)n1 ZINC000084081953 355282883 /nfs/dbraw/zinc/28/28/83/355282883.db2.gz DSPBPBOVXHMXOF-UHFFFAOYSA-N 1 0 208.309 1.132 10 0 BDAERO NC(=[NH2+])CSc1nc2ccccc2o1 ZINC000019863676 181187113 /nfs/dbraw/zinc/18/71/13/181187113.db2.gz XATNTYCTZDBEQD-UHFFFAOYSA-N 1 0 207.258 1.856 10 0 BDAERO NC(=[NH2+])N1CCNc2ccc(Cl)cc2C1 ZINC000001566290 181188055 /nfs/dbraw/zinc/18/80/55/181188055.db2.gz PQBONSOONZAEAH-UHFFFAOYSA-N 1 0 224.695 1.461 10 0 BDAERO NC(=[NH2+])c1ccc(-n2ncc3ccccc32)nc1 ZINC000050526132 181193587 /nfs/dbraw/zinc/19/35/87/181193587.db2.gz MEXISWMIXGDCNH-UHFFFAOYSA-N 1 0 237.266 1.705 10 0 BDAERO NC(=[NH2+])c1cc(Br)cc2nccn21 ZINC000089202349 181194284 /nfs/dbraw/zinc/19/42/84/181194284.db2.gz VBGGKVZRAANJJI-UHFFFAOYSA-N 1 0 239.076 1.381 10 0 BDAERO NC(=[NH2+])c1cccnc1Sc1nncs1 ZINC000019863569 181196244 /nfs/dbraw/zinc/19/62/44/181196244.db2.gz VQUBMXGKLCFBSH-UHFFFAOYSA-N 1 0 237.313 1.368 10 0 BDAERO NC(=[NH2+])c1ccc(OCc2ccco2)nc1 ZINC000019509453 181195049 /nfs/dbraw/zinc/19/50/49/181195049.db2.gz NHXNLSHBLKGZFH-UHFFFAOYSA-N 1 0 217.228 1.538 10 0 BDAERO NC(=[NH2+])c1ccc(OCCc2cccnc2)cc1 ZINC000063222862 181195399 /nfs/dbraw/zinc/19/53/99/181195399.db2.gz PBCXPMLJZNUGKN-UHFFFAOYSA-N 1 0 241.294 1.987 10 0 BDAERO NC(=[NH2+])c1cccnc1-n1ccc(C2CC2)n1 ZINC000052884348 181196338 /nfs/dbraw/zinc/19/63/38/181196338.db2.gz AZKZWXBNEOLOCF-UHFFFAOYSA-N 1 0 227.271 1.429 10 0 BDAERO NC(=[NH2+])c1cccc(OCc2ncccn2)c1 ZINC000054460192 181196120 /nfs/dbraw/zinc/19/61/20/181196120.db2.gz NNXUUJKFVLLWGG-UHFFFAOYSA-N 1 0 228.255 1.340 10 0 BDAERO CC[C@H]([NH3+])[C@@H]1Cc2c(cccc2F)C1=O ZINC000166482449 355532121 /nfs/dbraw/zinc/53/21/21/355532121.db2.gz FEZBRYWAZORPGY-ONGXEEELSA-N 1 0 207.248 1.918 10 0 BDAERO NC(=[NH2+])c1ccnc(Sc2ccccn2)c1 ZINC000019863360 181197425 /nfs/dbraw/zinc/19/74/25/181197425.db2.gz MJNWTQUBUBCXCY-UHFFFAOYSA-N 1 0 230.296 1.912 10 0 BDAERO [NH2+]=C(Nc1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000052047553 181200400 /nfs/dbraw/zinc/20/04/00/181200400.db2.gz MBIHOJRDBMBSNC-NEPJUHHUSA-N 1 0 233.315 1.926 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000389117268 355693487 /nfs/dbraw/zinc/69/34/87/355693487.db2.gz BLRVBKSXYXYJDO-JQWIXIFHSA-N 1 0 236.363 1.473 10 0 BDAERO CC[N@@H+]1CC[C@@H](N[C@@H](C)c2nccn2C)C1 ZINC000389117698 355697940 /nfs/dbraw/zinc/69/79/40/355697940.db2.gz BOWKROGYXSOTLW-WDEREUQCSA-N 1 0 222.336 1.165 10 0 BDAERO NC(=O)C1(Cc2ccccc2)CC[NH2+]CC1 ZINC000063772369 181213966 /nfs/dbraw/zinc/21/39/66/181213966.db2.gz RHBMAGYKGPWMFZ-UHFFFAOYSA-N 1 0 218.300 1.084 10 0 BDAERO C[C@@H]([NH3+])C(=O)NCc1ccc(-c2cc[nH]n2)cc1 ZINC000040768780 358499185 /nfs/dbraw/zinc/49/91/85/358499185.db2.gz WQJOALGKEAYSMJ-SECBINFHSA-N 1 0 244.298 1.040 10 0 BDAERO CC(C)=CC[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000192316301 355983630 /nfs/dbraw/zinc/98/36/30/355983630.db2.gz XYYKWZWIOIRADB-NSHDSACASA-N 1 0 205.305 1.823 10 0 BDAERO NC(=O)CCCC[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000037636504 181221693 /nfs/dbraw/zinc/22/16/93/181221693.db2.gz URUVJTYHGZXGRM-LBPRGKRZSA-N 1 0 248.326 1.667 10 0 BDAERO NC(=O)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000022220780 181237168 /nfs/dbraw/zinc/23/71/68/181237168.db2.gz PWDKFTGBPJPBMB-SECBINFHSA-N 1 0 222.313 1.298 10 0 BDAERO NC(=O)COc1ccc(C[NH2+]C2CCC2)cc1 ZINC000052206968 181238132 /nfs/dbraw/zinc/23/81/32/181238132.db2.gz KGZUDMTZLXCHQF-UHFFFAOYSA-N 1 0 234.299 1.193 10 0 BDAERO NC(=O)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000042207541 181225323 /nfs/dbraw/zinc/22/53/23/181225323.db2.gz BUXGQFXAMJGRTH-UHFFFAOYSA-N 1 0 226.707 1.348 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1csc2ccccc21 ZINC000044252792 181241617 /nfs/dbraw/zinc/24/16/17/181241617.db2.gz PJIGJCBGENNUPC-SECBINFHSA-N 1 0 220.297 1.777 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cccc2[nH]ccc21 ZINC000044254874 181241844 /nfs/dbraw/zinc/24/18/44/181241844.db2.gz NUNPSYGCRWAWNR-SECBINFHSA-N 1 0 203.245 1.043 10 0 BDAERO NC(=O)C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000020578019 181245230 /nfs/dbraw/zinc/24/52/30/181245230.db2.gz VAAGTSXUGPMGCF-QMMMGPOBSA-N 1 0 243.104 1.324 10 0 BDAERO CC1(C)CO[C@H](CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000639480899 356293589 /nfs/dbraw/zinc/29/35/89/356293589.db2.gz QEAGFTFZXNTIAP-OLZOCXBDSA-N 1 0 238.375 1.582 10 0 BDAERO NC(=O)[C@@]1([NH2+]C2CCCC2)CCc2ccccc21 ZINC000037968872 181275039 /nfs/dbraw/zinc/27/50/39/181275039.db2.gz WLKUIXADYZKXLI-OAHLLOKOSA-N 1 0 244.338 1.846 10 0 BDAERO NC(=O)[C@@]1([NH2+]C2CCCCCC2)CCSC1 ZINC000037970447 181275337 /nfs/dbraw/zinc/27/53/37/181275337.db2.gz LYBXYMGXNNNNFA-GFCCVEGCSA-N 1 0 242.388 1.660 10 0 BDAERO [NH3+]C1(C(=O)c2cncnc2)CCCCC1 ZINC000167878471 356457590 /nfs/dbraw/zinc/45/75/90/356457590.db2.gz SCQVGYPHOUXRLU-UHFFFAOYSA-N 1 0 205.261 1.321 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000384320921 356592513 /nfs/dbraw/zinc/59/25/13/356592513.db2.gz VIKNSQWIBLSCDZ-ZWNOBZJWSA-N 1 0 243.310 1.885 10 0 BDAERO C[C@@H](CCCCO)[NH2+][C@@H](C)c1nncn1C ZINC000381045634 538466994 /nfs/dbraw/zinc/46/69/94/538466994.db2.gz DFILYCUUQBQJNV-UWVGGRQHSA-N 1 0 226.324 1.017 10 0 BDAERO CC(C)NC(=O)C1([C@@H]2CCC[NH2+]C2)CC1 ZINC000381562526 538468215 /nfs/dbraw/zinc/46/82/15/538468215.db2.gz RTRIEPPIJKTYDV-SNVBAGLBSA-N 1 0 210.321 1.291 10 0 BDAERO [NH3+]CC[C@H](O)c1csc(Br)c1 ZINC000083335978 538469207 /nfs/dbraw/zinc/46/92/07/538469207.db2.gz HRGJGRGOKVCTEY-LURJTMIESA-N 1 0 236.134 1.893 10 0 BDAERO C[C@H](C[NH3+])[C@H](O)c1cncc(Br)c1 ZINC000125161817 538464260 /nfs/dbraw/zinc/46/42/60/538464260.db2.gz GFZHIJDFKZRKMX-MUWHJKNJSA-N 1 0 245.120 1.472 10 0 BDAERO CC(C)c1nc([C@H](O)CC[NH3+])cs1 ZINC000083283597 538464964 /nfs/dbraw/zinc/46/49/64/538464964.db2.gz DFCIJPGXSHTXEV-MRVPVSSYSA-N 1 0 200.307 1.649 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cocn2)C1 ZINC000380341771 538466329 /nfs/dbraw/zinc/46/63/29/538466329.db2.gz RUTHWXLDVYKTJL-KOLCDFICSA-N 1 0 209.293 1.104 10 0 BDAERO CCNC(=O)NC[C@@H]1[NH2+]CCOc2ccccc21 ZINC000675058181 538481415 /nfs/dbraw/zinc/48/14/15/538481415.db2.gz VRUDFBDJRQALLE-NSHDSACASA-N 1 0 249.314 1.029 10 0 BDAERO CC(C)CNC(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051242 538474017 /nfs/dbraw/zinc/47/40/17/538474017.db2.gz GDDDSRCPEHTQOI-YPMHNXCESA-N 1 0 239.363 1.474 10 0 BDAERO CC1(C)CCC(n2cc(C[NH3+])nn2)CC1 ZINC000675051692 538475083 /nfs/dbraw/zinc/47/50/83/538475083.db2.gz QKPKVZGETBTAJR-UHFFFAOYSA-N 1 0 208.309 1.878 10 0 BDAERO CC(C)NC(=O)NC[C@]12C[C@H](C[NH2+]1)CCC2 ZINC000675051713 538475292 /nfs/dbraw/zinc/47/52/92/538475292.db2.gz RFYLXVXWCLUWJB-PWSUYJOCSA-N 1 0 225.336 1.226 10 0 BDAERO CCC[C@]1(C[NH3+])CN(C(=O)C(C)(C)C)CCO1 ZINC000675059086 538483641 /nfs/dbraw/zinc/48/36/41/538483641.db2.gz JWZAFWWGJYBLPC-ZDUSSCGKSA-N 1 0 242.363 1.389 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C2CCS(=O)(=O)CC2)C1 ZINC000675060255 538486048 /nfs/dbraw/zinc/48/60/48/538486048.db2.gz VKEFJJWZNCVKCL-GXSJLCMTSA-N 1 0 231.361 1.057 10 0 BDAERO CN(c1ccc(Cl)nn1)C1CC[NH+](C)CC1 ZINC000034973923 356652249 /nfs/dbraw/zinc/65/22/49/356652249.db2.gz ZEJJEBMPLJBCIG-UHFFFAOYSA-N 1 0 240.738 1.660 10 0 BDAERO CC(C)CC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000675069872 538499146 /nfs/dbraw/zinc/49/91/46/538499146.db2.gz IZRPCCHUYRCNMU-WYUUTHIRSA-N 1 0 224.348 1.522 10 0 BDAERO CC(C)[C@H]([NH2+]Cc1ccc(Cl)nc1)C(N)=O ZINC000083455780 538500103 /nfs/dbraw/zinc/50/01/03/538500103.db2.gz LAECLLCETBOPIM-JTQLQIEISA-N 1 0 241.722 1.335 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]2C[C@@H](NC(=O)C3CCC3)[C@H]2C1 ZINC000675070095 538500172 /nfs/dbraw/zinc/50/01/72/538500172.db2.gz LIPGNNYFHHKWBE-KXGXSXBTSA-N 1 0 222.332 1.276 10 0 BDAERO CCC[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000675071157 538501616 /nfs/dbraw/zinc/50/16/16/538501616.db2.gz WLUMOLDKZSDYGC-LBPRGKRZSA-N 1 0 212.337 1.239 10 0 BDAERO CCC[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000675071147 538501797 /nfs/dbraw/zinc/50/17/97/538501797.db2.gz WLUMOLDKZSDYGC-GFCCVEGCSA-N 1 0 212.337 1.239 10 0 BDAERO CC(C)CNC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675071194 538502128 /nfs/dbraw/zinc/50/21/28/538502128.db2.gz XGXWDPLDEPJLCC-KKOKHZNYSA-N 1 0 239.363 1.315 10 0 BDAERO CCC1CCC([C@H](C[NH3+])C(=O)OC)CC1 ZINC000675072463 538503717 /nfs/dbraw/zinc/50/37/17/538503717.db2.gz CRHSVBYUMYKBKS-ILDUYXDCSA-N 1 0 213.321 1.951 10 0 BDAERO COC(=O)[C@H](C[NH3+])[C@@H]1CCCC(C)(C)C1 ZINC000675073054 538504215 /nfs/dbraw/zinc/50/42/15/538504215.db2.gz KIDQXXVVZOQOOY-NXEZZACHSA-N 1 0 213.321 1.951 10 0 BDAERO [NH3+]Cc1csc(NC(=O)C2CCC2)n1 ZINC000675073754 538506457 /nfs/dbraw/zinc/50/64/57/538506457.db2.gz TZZDLRFANQLSQM-UHFFFAOYSA-N 1 0 211.290 1.340 10 0 BDAERO CC[C@@H](C)C[NH2+]C[C@@H]1CCCCNC1=O ZINC000675075652 538509484 /nfs/dbraw/zinc/50/94/84/538509484.db2.gz SYICYSONUNSCNK-MNOVXSKESA-N 1 0 212.337 1.538 10 0 BDAERO c1nn2c(c1-c1cc(C3CC3)no1)C[NH2+]CC2 ZINC000675075581 538509585 /nfs/dbraw/zinc/50/95/85/538509585.db2.gz BLQZFYAYIRGXAX-UHFFFAOYSA-N 1 0 230.271 1.519 10 0 BDAERO CCCNC(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000675069523 538498585 /nfs/dbraw/zinc/49/85/85/538498585.db2.gz HUKOKPWEGROLOM-GWOFURMSSA-N 1 0 225.336 1.069 10 0 BDAERO O[C@H]1C=C(C[C@H]2CCCC2(F)F)C[NH2+]C1 ZINC000675077448 538513877 /nfs/dbraw/zinc/51/38/77/538513877.db2.gz MRSANDBDJNJHAC-ZJUUUORDSA-N 1 0 217.259 1.702 10 0 BDAERO N[C@H]1C=C(c2ccc(C3CC3)s2)C[NH2+]C1 ZINC000675077734 538514158 /nfs/dbraw/zinc/51/41/58/538514158.db2.gz HVEGWGWNCTVQIJ-JTQLQIEISA-N 1 0 220.341 1.939 10 0 BDAERO N[C@H]1C=C(Cc2ccc(Cl)cc2)C[NH2+]C1 ZINC000675077776 538514262 /nfs/dbraw/zinc/51/42/62/538514262.db2.gz INUFWZWBWSLCKM-LBPRGKRZSA-N 1 0 222.719 1.739 10 0 BDAERO N[C@@H]1C=C(Cc2cncc(Cl)c2)C[NH2+]C1 ZINC000675078231 538514892 /nfs/dbraw/zinc/51/48/92/538514892.db2.gz OCCLASNPQVHWBV-LLVKDONJSA-N 1 0 223.707 1.134 10 0 BDAERO Cc1cc(F)cc(C2=C[C@H](N)C[NH2+]C2)c1 ZINC000675077982 538515252 /nfs/dbraw/zinc/51/52/52/538515252.db2.gz LRNNVYMXTBOEFH-LBPRGKRZSA-N 1 0 206.264 1.448 10 0 BDAERO N[C@@H]1C=C(CCC(F)(F)Cl)C[NH2+]C1 ZINC000675078734 538515722 /nfs/dbraw/zinc/51/57/22/538515722.db2.gz RWUAZKAQDNVYKN-SSDOTTSWSA-N 1 0 210.655 1.455 10 0 BDAERO COc1ccc(C2=C[C@H](N)C[NH2+]C2)cc1 ZINC000675078267 538516021 /nfs/dbraw/zinc/51/60/21/538516021.db2.gz OGSGPKLJLWIGJO-NSHDSACASA-N 1 0 204.273 1.009 10 0 BDAERO O[C@H]1C=C(c2cccc(Cl)c2)C[NH2+]C1 ZINC000675078616 538516745 /nfs/dbraw/zinc/51/67/45/538516745.db2.gz ZQVYJUSLDCYHRO-NSHDSACASA-N 1 0 209.676 1.688 10 0 BDAERO N[C@@H]1C=C(CCc2ccsc2)C[NH2+]C1 ZINC000675078726 538516767 /nfs/dbraw/zinc/51/67/67/538516767.db2.gz RTLCHZSKCPRGJG-LLVKDONJSA-N 1 0 208.330 1.538 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000389500697 356694505 /nfs/dbraw/zinc/69/45/05/356694505.db2.gz BXFAXYYTXVQARX-WUHRBBMRSA-N 1 0 208.349 1.859 10 0 BDAERO O[C@@H]1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000675080435 538520036 /nfs/dbraw/zinc/52/00/36/538520036.db2.gz QMRKBXAUGSZVDP-CQSZACIVSA-N 1 0 247.338 1.802 10 0 BDAERO CCc1ccc(C2=C[C@H](N)C[NH2+]C2)cc1 ZINC000675077515 538512327 /nfs/dbraw/zinc/51/23/27/538512327.db2.gz FTBGZWGEBIGTRF-ZDUSSCGKSA-N 1 0 202.301 1.563 10 0 BDAERO CSc1cccc(C2=C[C@H](N)C[NH2+]C2)c1 ZINC000675077231 538512529 /nfs/dbraw/zinc/51/25/29/538512529.db2.gz BGMWWJCVEWPOFT-NSHDSACASA-N 1 0 220.341 1.722 10 0 BDAERO Cc1nc(CC2=C[C@@H](N)C[NH2+]C2)sc1C ZINC000675077415 538513123 /nfs/dbraw/zinc/51/31/23/538513123.db2.gz DVVMZTJLSQZNBC-SNVBAGLBSA-N 1 0 223.345 1.159 10 0 BDAERO Oc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000084258722 538529103 /nfs/dbraw/zinc/52/91/03/538529103.db2.gz ZSGKNTYQRONWQG-LLVKDONJSA-N 1 0 215.256 1.350 10 0 BDAERO CC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000096871904 538617523 /nfs/dbraw/zinc/61/75/23/538617523.db2.gz WVNLXMWFNGHKPU-STQMWFEESA-N 1 0 218.300 1.350 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000163072135 202170880 /nfs/dbraw/zinc/17/08/80/202170880.db2.gz LBMLOSWMSYIUDI-NEPJUHHUSA-N 1 0 229.364 1.773 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C2CC2)C1 ZINC000114940390 356942355 /nfs/dbraw/zinc/94/23/55/356942355.db2.gz AGWZXXRYWQZITK-SNVBAGLBSA-N 1 0 225.336 1.275 10 0 BDAERO CC1(C)C[C@@H](C[NH3+])c2ccc(O)cc2O1 ZINC000214822612 356963429 /nfs/dbraw/zinc/96/34/29/356963429.db2.gz YTSUVZXZRWTSAF-QMMMGPOBSA-N 1 0 207.273 1.996 10 0 BDAERO CCN1CCC[C@H]1C[N@H+](C)C[C@@](C)(O)CC ZINC000119425776 357024329 /nfs/dbraw/zinc/02/43/29/357024329.db2.gz BCMWBSNVFGGUMX-STQMWFEESA-N 1 0 228.380 1.564 10 0 BDAERO Fc1cccnc1NC[C@@H]1C[NH2+]CCCO1 ZINC000389928961 357068669 /nfs/dbraw/zinc/06/86/69/357068669.db2.gz VMUZFXNMBPUOEL-VIFPVBQESA-N 1 0 225.267 1.011 10 0 BDAERO CC(C)(C)OC(=O)N[C@H](CC[NH3+])C(F)F ZINC000258334592 538783899 /nfs/dbraw/zinc/78/38/99/538783899.db2.gz UUYRNVXZKYRAKC-ZCFIWIBFSA-N 1 0 224.251 1.494 10 0 BDAERO CCC[C@H](N)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000390403485 357097024 /nfs/dbraw/zinc/09/70/24/357097024.db2.gz APDKBFLFJANYEC-YUMQZZPRSA-N 1 0 212.297 1.020 10 0 BDAERO CC(C)[C@@H](C)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000585378383 538801324 /nfs/dbraw/zinc/80/13/24/538801324.db2.gz AZXIZXNUUHMVLS-SNVBAGLBSA-N 1 0 233.377 1.540 10 0 BDAERO CCCCCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403997182 357143280 /nfs/dbraw/zinc/14/32/80/357143280.db2.gz LLVLYLLWQAFTBN-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO CCOc1ccc2[nH]c(NC[C@@H](C)O)[nH+]c2c1 ZINC000026474132 357144568 /nfs/dbraw/zinc/14/45/68/357144568.db2.gz RWZGCOMSOHRNSV-MRVPVSSYSA-N 1 0 235.287 1.754 10 0 BDAERO Clc1csc(OC[C@@H]2C[NH2+]CCO2)n1 ZINC000168807943 357240358 /nfs/dbraw/zinc/24/03/58/357240358.db2.gz PUYZDRBYWUEDHR-LURJTMIESA-N 1 0 234.708 1.164 10 0 BDAERO Cc1ccc2oc(N[C@@H]3CC[NH2+]C3)nc2c1 ZINC000212133153 357225952 /nfs/dbraw/zinc/22/59/52/357225952.db2.gz BSVAZKXFBOZDMF-SECBINFHSA-N 1 0 217.272 1.910 10 0 BDAERO C[C@@H]1C[C@H](N2C[C@H](C)[C@H]([NH3+])C2)CS1 ZINC000300049710 357177646 /nfs/dbraw/zinc/17/76/46/357177646.db2.gz UJCABGXUIQZDRW-QCLAVDOMSA-N 1 0 200.351 1.159 10 0 BDAERO CCCS(=O)(=O)C1CCC([NH2+]C)CC1 ZINC000259241746 538810541 /nfs/dbraw/zinc/81/05/41/538810541.db2.gz OAEWQAWCWLBWTA-UHFFFAOYSA-N 1 0 219.350 1.342 10 0 BDAERO Cc1cnc(C[NH2+]CC(C)(C)O)s1 ZINC000394714462 357369807 /nfs/dbraw/zinc/36/98/07/357369807.db2.gz DUJPDRAUYSDECS-UHFFFAOYSA-N 1 0 200.307 1.312 10 0 BDAERO [NH3+][C@H]1c2cc(Br)ccc2CC[C@H]1O ZINC000039941462 491110704 /nfs/dbraw/zinc/11/07/04/491110704.db2.gz UFBIQGKVIWRVFU-ZJUUUORDSA-N 1 0 242.116 1.756 10 0 BDAERO CCOC(=O)c1sc(C)nc1[C@H]1CC[NH2+]C1 ZINC000260269577 538842667 /nfs/dbraw/zinc/84/26/67/538842667.db2.gz RAAIRZCLLSTZJC-QMMMGPOBSA-N 1 0 240.328 1.705 10 0 BDAERO Cc1cnccc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000395391632 357436982 /nfs/dbraw/zinc/43/69/82/357436982.db2.gz WYCWPLCAXQQVJP-CMPLNLGQSA-N 1 0 205.305 1.169 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCC1(CO)CC1 ZINC000395793573 357456144 /nfs/dbraw/zinc/45/61/44/357456144.db2.gz LFALBRZLTPOAEN-JTQLQIEISA-N 1 0 215.337 1.146 10 0 BDAERO C[NH2+]C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000224033590 357460035 /nfs/dbraw/zinc/46/00/35/357460035.db2.gz XMTRPEYIALXYDZ-UWVGGRQHSA-N 1 0 240.347 1.851 10 0 BDAERO CC(C)CC(C)(C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188673862 357572031 /nfs/dbraw/zinc/57/20/31/357572031.db2.gz FIUZRVXRRVZNRK-WDEREUQCSA-N 1 0 244.354 1.875 10 0 BDAERO FC(F)COCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000188781171 357573474 /nfs/dbraw/zinc/57/34/74/357573474.db2.gz VDPGFUDDRSRPOM-WDEREUQCSA-N 1 0 249.301 1.912 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000063145548 357534057 /nfs/dbraw/zinc/53/40/57/357534057.db2.gz FZCFVHCVZBDPNL-CXQJBGSLSA-N 1 0 226.364 1.927 10 0 BDAERO CC1CCC(C[NH2+]CC(=O)NC2CC2)CC1 ZINC000063145411 357534349 /nfs/dbraw/zinc/53/43/49/357534349.db2.gz RVFYZOICKRFXBQ-UHFFFAOYSA-N 1 0 224.348 1.681 10 0 BDAERO O=C(Nc1ccc2n[nH]cc2c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188231246 357535307 /nfs/dbraw/zinc/53/53/07/357535307.db2.gz LLZQELFKZPOQNW-GZMMTYOYSA-N 1 0 248.261 1.201 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)C2([NH3+])CCCC2)o1 ZINC000231744736 357624234 /nfs/dbraw/zinc/62/42/34/357624234.db2.gz JWPDQVNLWSSORI-VIFPVBQESA-N 1 0 237.303 1.432 10 0 BDAERO Fc1ccc(CN2CCC[N@@H+](C3CC3)CC2)cn1 ZINC000189312236 357631211 /nfs/dbraw/zinc/63/12/11/357631211.db2.gz JLBPUYZMLCOQEB-UHFFFAOYSA-N 1 0 249.333 1.891 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC000263619829 538879105 /nfs/dbraw/zinc/87/91/05/538879105.db2.gz FIXKSCLVBGKPPJ-HBNTYKKESA-N 1 0 240.347 1.899 10 0 BDAERO Cc1nc(C(=O)C[C@@H]2CCC[NH2+]2)cs1 ZINC000229142348 538881377 /nfs/dbraw/zinc/88/13/77/538881377.db2.gz FZMXLVIRGPFEKK-QMMMGPOBSA-N 1 0 210.302 1.776 10 0 BDAERO COCCCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000231487743 357615497 /nfs/dbraw/zinc/61/54/97/357615497.db2.gz JVMWWDNXNUCIGW-NSHDSACASA-N 1 0 228.336 1.014 10 0 BDAERO CCOc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)cc1 ZINC000685946690 538886996 /nfs/dbraw/zinc/88/69/96/538886996.db2.gz USPLMUHGKRSOAU-STQMWFEESA-N 1 0 220.316 1.490 10 0 BDAERO CC(C)NC(=O)[C@@H]1CC12CCC([NH3+])CC2 ZINC000685945804 538887183 /nfs/dbraw/zinc/88/71/83/538887183.db2.gz BFGJZVMKHTWGRI-YZRBJQDESA-N 1 0 210.321 1.419 10 0 BDAERO CC(C)CNC(=O)NC1(C)CCC([NH3+])CC1 ZINC000685946872 538887969 /nfs/dbraw/zinc/88/79/69/538887969.db2.gz DUHGNVLDPGZOGO-UHFFFAOYSA-N 1 0 227.352 1.602 10 0 BDAERO CCCNC(=O)N1CCC[C@]([NH3+])(CC)C1 ZINC000685946900 538888251 /nfs/dbraw/zinc/88/82/51/538888251.db2.gz FZQWQEJDHUOJPW-LLVKDONJSA-N 1 0 213.325 1.309 10 0 BDAERO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C1CCC1 ZINC000685946789 538888255 /nfs/dbraw/zinc/88/82/55/538888255.db2.gz NIHSACBUOYDNSB-CMPLNLGQSA-N 1 0 208.305 1.126 10 0 BDAERO CC(C)[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000685946969 538888855 /nfs/dbraw/zinc/88/88/55/538888855.db2.gz XYSMIDLGZOPDJK-IVZWLZJFSA-N 1 0 231.315 1.030 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCC[C@]1(C)C[NH3+] ZINC000685947984 538889793 /nfs/dbraw/zinc/88/97/93/538889793.db2.gz VTURGKFPTRLGJQ-ZYHUDNBSSA-N 1 0 212.337 1.762 10 0 BDAERO CC1(C(=O)NC[C@@]23CC[C@H]2CC[NH2+]3)CC1 ZINC000685947721 538889809 /nfs/dbraw/zinc/88/98/09/538889809.db2.gz YZKOWQMNMIQZMT-CABZTGNLSA-N 1 0 208.305 1.045 10 0 BDAERO C[C@@H]1C[NH2+]CCN1[C@H]1CCOC12CCCC2 ZINC000685949067 538891643 /nfs/dbraw/zinc/89/16/43/538891643.db2.gz JWHHMWSZGUMWDS-NEPJUHHUSA-N 1 0 224.348 1.382 10 0 BDAERO CC(C)NC(=O)N[C@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949263 538892392 /nfs/dbraw/zinc/89/23/92/538892392.db2.gz NOFQDQNEXDFDEA-ZYHUDNBSSA-N 1 0 225.336 1.369 10 0 BDAERO CCCS(=O)(=O)N1CC[C@]2([NH3+])CCCC[C@H]12 ZINC000685949255 538892580 /nfs/dbraw/zinc/89/25/80/538892580.db2.gz NIPWGIIUTYAACY-WDEREUQCSA-N 1 0 246.376 1.072 10 0 BDAERO CC(C)CC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685949577 538892833 /nfs/dbraw/zinc/89/28/33/538892833.db2.gz ULAIQIALHCUVCS-AAEUAGOBSA-N 1 0 224.348 1.905 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCCC(F)(F)C1 ZINC000685951009 538894748 /nfs/dbraw/zinc/89/47/48/538894748.db2.gz MADUCVLRYSYSJB-NXEZZACHSA-N 1 0 232.318 1.962 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1[C@H](C)COC[C@@H]1C ZINC000685951715 538894917 /nfs/dbraw/zinc/89/49/17/538894917.db2.gz WEZVPLINQXHYSR-CXYFJQCHSA-N 1 0 226.364 1.340 10 0 BDAERO CCCCCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189329692 357632324 /nfs/dbraw/zinc/63/23/24/357632324.db2.gz BHMDFQDDOICYEY-LLVKDONJSA-N 1 0 212.337 1.777 10 0 BDAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000233416566 357723812 /nfs/dbraw/zinc/72/38/12/357723812.db2.gz FUSAFUDOXGIZRS-JQWIXIFHSA-N 1 0 236.363 1.764 10 0 BDAERO CCC[C@H](C(=O)N[C@@H](C)[C@@H](C)OC)[NH+](C)C ZINC000190362079 357703254 /nfs/dbraw/zinc/70/32/54/357703254.db2.gz CVXWJGZAMUVRJX-HBNTYKKESA-N 1 0 230.352 1.256 10 0 BDAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000235389632 357860432 /nfs/dbraw/zinc/86/04/32/357860432.db2.gz NDLATCGFQCJUOD-WCFLWFBJSA-N 1 0 236.359 1.847 10 0 BDAERO CC(C)CCS(=O)(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000168568459 134226775 /nfs/dbraw/zinc/22/67/75/134226775.db2.gz FRQZAEQRWZUZLI-LLVKDONJSA-N 1 0 248.392 1.079 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccno3)C[C@H]2C1 ZINC000398716005 357889571 /nfs/dbraw/zinc/88/95/71/357889571.db2.gz FPPKPYHOAYXHJR-HBNTYKKESA-N 1 0 222.288 1.267 10 0 BDAERO C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000398682167 357889581 /nfs/dbraw/zinc/88/95/81/357889581.db2.gz OAGIMXBELSUAEI-DCAQKATOSA-N 1 0 217.353 1.390 10 0 BDAERO C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C[C@H](C)O ZINC000398682172 357889697 /nfs/dbraw/zinc/88/96/97/357889697.db2.gz OAGIMXBELSUAEI-VWYCJHECSA-N 1 0 217.353 1.390 10 0 BDAERO C[C@H]1CN(C(=O)CCCc2ccccc2)C[C@@H]1[NH3+] ZINC000235653955 357926320 /nfs/dbraw/zinc/92/63/20/357926320.db2.gz PXUYQPCEIABEAA-JSGCOSHPSA-N 1 0 246.354 1.815 10 0 BDAERO Cc1cccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1O ZINC000235659506 357927352 /nfs/dbraw/zinc/92/73/52/357927352.db2.gz NRTNSLNHWKQCIM-GXSJLCMTSA-N 1 0 234.299 1.120 10 0 BDAERO CC[C@]1(C)CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000399320525 357903003 /nfs/dbraw/zinc/90/30/03/357903003.db2.gz YVJQEEIHDGBBTQ-CHWSQXEVSA-N 1 0 224.348 1.777 10 0 BDAERO CC(C)C(=[NH2+])N1CCN(c2ccccn2)CC1 ZINC000062989878 535372124 /nfs/dbraw/zinc/37/21/24/535372124.db2.gz JQJSHYAEGXSLDK-UHFFFAOYSA-N 1 0 232.331 1.837 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000122785165 363592752 /nfs/dbraw/zinc/59/27/52/363592752.db2.gz FTBBHTXSHOCVLT-LBPRGKRZSA-N 1 0 244.404 1.192 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000639938955 357945213 /nfs/dbraw/zinc/94/52/13/357945213.db2.gz RVPBORXUTQARKQ-IWSPIJDZSA-N 1 0 241.253 1.145 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCc1cncn1C ZINC000639939225 357946640 /nfs/dbraw/zinc/94/66/40/357946640.db2.gz ZMJAJSAKJKNNFB-DGCLKSJQSA-N 1 0 237.347 1.198 10 0 BDAERO COC[C@@](C)(CO)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000639957212 357980820 /nfs/dbraw/zinc/98/08/20/357980820.db2.gz LFMHQNHLRMKQOC-GXTWGEPZSA-N 1 0 235.327 1.313 10 0 BDAERO CC(C)COCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000219947018 358010745 /nfs/dbraw/zinc/01/07/45/358010745.db2.gz 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SWAGXUZTNJKSJA-VXGBXAGGSA-N 1 0 234.299 1.310 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(C(C)=O)cc1 ZINC000040854169 358247299 /nfs/dbraw/zinc/24/72/99/358247299.db2.gz XHPHUFIOGOLERZ-LBPRGKRZSA-N 1 0 234.299 1.955 10 0 BDAERO COC[C@@H]([NH3+])c1ccc(-n2cccn2)c(F)c1 ZINC000584595155 358252591 /nfs/dbraw/zinc/25/25/91/358252591.db2.gz HJIFNMOYKGYGPH-LLVKDONJSA-N 1 0 235.262 1.658 10 0 BDAERO [NH3+]CC1(N2CCOCC2)CCC(F)(F)CC1 ZINC000584609034 358269890 /nfs/dbraw/zinc/26/98/90/358269890.db2.gz BZHRMQOQYNWWNG-UHFFFAOYSA-N 1 0 234.290 1.225 10 0 BDAERO CN1c2ccccc2CC[C@H]1C[NH+](C)C ZINC000584630187 358299767 /nfs/dbraw/zinc/29/97/67/358299767.db2.gz NAAXAHAIYZZVOH-LBPRGKRZSA-N 1 0 204.317 1.999 10 0 BDAERO O=C1c2ccccc2NCN1CC[NH+]1CCCC1 ZINC000584635097 358319373 /nfs/dbraw/zinc/31/93/73/358319373.db2.gz RXIQHOIXFAEHBF-UHFFFAOYSA-N 1 0 245.326 1.608 10 0 BDAERO Cc1ccccc1[C@]1(O)CC[N@@H+](C)[C@@H]1C ZINC000584635376 358319661 /nfs/dbraw/zinc/31/96/61/358319661.db2.gz WQWRKTBWRVBHIO-YPMHNXCESA-N 1 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359607823 /nfs/dbraw/zinc/60/78/23/359607823.db2.gz KDUGOQQPQYXJNP-IMJSIDKUSA-N 1 0 222.075 1.751 10 0 BDAERO CC[N@@H+]1CC[C@]2(C1)N[C@H](C)CCS2 ZINC000306329947 359611704 /nfs/dbraw/zinc/61/17/04/359611704.db2.gz AYWUUXGFUKAEJX-ZJUUUORDSA-N 1 0 200.351 1.523 10 0 BDAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322168546 259492809 /nfs/dbraw/zinc/49/28/09/259492809.db2.gz LKGHSLAMWHWEDT-SGIHWFKDSA-N 1 0 219.350 1.054 10 0 BDAERO Cn1ncc(Br)c1C[C@H]1CC[NH2+]C1 ZINC000306346819 359666213 /nfs/dbraw/zinc/66/62/13/359666213.db2.gz CDXYCZYJRQWSFO-SSDOTTSWSA-N 1 0 244.136 1.335 10 0 BDAERO C[C@H]1[NH2+]CC[C@H]1c1c(Br)nnn1C ZINC000306349909 359668930 /nfs/dbraw/zinc/66/89/30/359668930.db2.gz LBZGNPAANRAPFI-PHDIDXHHSA-N 1 0 245.124 1.043 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@H]1CCCO1 ZINC000309046524 491143394 /nfs/dbraw/zinc/14/33/94/491143394.db2.gz NMTFRJFQDZLPQJ-IRCOFANPSA-N 1 0 213.321 1.447 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@H](Nc2nnc(C)s2)C1 ZINC000309065331 491143935 /nfs/dbraw/zinc/14/39/35/491143935.db2.gz YYODBDIVBAYLAL-VXNVDRBHSA-N 1 0 226.349 1.599 10 0 BDAERO C[C@@H]1CCC[C@H](CC(=O)[C@@H]2CCOC2)[NH2+]1 ZINC000130384918 359722307 /nfs/dbraw/zinc/72/23/07/359722307.db2.gz YNLWKKZBUBNXQO-GMTAPVOTSA-N 1 0 211.305 1.513 10 0 BDAERO C[C@@H]1C[N@H+]([C@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000163218441 202280657 /nfs/dbraw/zinc/28/06/57/202280657.db2.gz YRSZSOYQHBRMEW-WHOHXGKFSA-N 1 0 213.321 1.399 10 0 BDAERO O=[S@](c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000306409957 359799683 /nfs/dbraw/zinc/79/96/83/359799683.db2.gz KLRJXCFMZQIONP-SDBXPKJASA-N 1 0 215.343 1.608 10 0 BDAERO CC(C)([NH3+])[C@@H](O)c1occc1Br ZINC000306418297 359827856 /nfs/dbraw/zinc/82/78/56/359827856.db2.gz TVOWFWYVFMRFSB-ZETCQYMHSA-N 1 0 234.093 1.813 10 0 BDAERO Cc1cccc(C)c1C[NH2+][C@@H]1C[C@H]1CO ZINC000309199563 491146176 /nfs/dbraw/zinc/14/61/76/491146176.db2.gz RCPCKIBWOFHDKD-WCQYABFASA-N 1 0 205.301 1.774 10 0 BDAERO [NH2+]=C1N[C@@H](c2cscc2Br)CO1 ZINC000306440151 359944657 /nfs/dbraw/zinc/94/46/57/359944657.db2.gz NNCAIUJEGPXFEJ-ZCFIWIBFSA-N 1 0 247.117 1.897 10 0 BDAERO CC1CC(C(=O)N2CCCC[C@H]2CC[NH3+])C1 ZINC000578758395 366640483 /nfs/dbraw/zinc/64/04/83/366640483.db2.gz QVSGFWCBBNLNDR-MCIGGMRASA-N 1 0 224.348 1.762 10 0 BDAERO CC[C@](O)(C[NH3+])c1ccc(F)cc1F ZINC000106878901 359970462 /nfs/dbraw/zinc/97/04/62/359970462.db2.gz OXZKTXAXMMXPOX-JTQLQIEISA-N 1 0 201.216 1.521 10 0 BDAERO O=C(Cc1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000169281409 360046429 /nfs/dbraw/zinc/04/64/29/360046429.db2.gz OWRSSOPEYDCXDM-JTQLQIEISA-N 1 0 207.248 1.547 10 0 BDAERO COC[C@@H]([NH3+])c1coc(Br)c1 ZINC000306456876 360047068 /nfs/dbraw/zinc/04/70/68/360047068.db2.gz UGDUZANXTIXUQM-ZCFIWIBFSA-N 1 0 220.066 1.688 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1Oc1ccncc1Cl ZINC000131617847 360102205 /nfs/dbraw/zinc/10/22/05/360102205.db2.gz FVXUEHJXTZTOSR-PSASIEDQSA-N 1 0 212.680 1.994 10 0 BDAERO CC(C)n1cncc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000090209509 360065924 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/nfs/dbraw/zinc/27/96/43/360279643.db2.gz SLTAWXWPKBIBNN-NSHDSACASA-N 1 0 220.320 1.895 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCC[C@H]1O ZINC000306502006 360294505 /nfs/dbraw/zinc/29/45/05/360294505.db2.gz SXBHKZWMVBJYCZ-VXGBXAGGSA-N 1 0 233.315 1.214 10 0 BDAERO NC(=O)c1ccc(N[C@@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000063214835 181300415 /nfs/dbraw/zinc/30/04/15/181300415.db2.gz LCCCBXHQOAZJAY-GHMZBOCLSA-N 1 0 248.330 1.252 10 0 BDAERO [NH3+][C@@H](Cc1csnn1)c1cscn1 ZINC000306520028 360343554 /nfs/dbraw/zinc/34/35/54/360343554.db2.gz DFUCSEBKEYQOJL-LURJTMIESA-N 1 0 212.303 1.237 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CSCCN1 ZINC000306520467 360344590 /nfs/dbraw/zinc/34/45/90/360344590.db2.gz DRDJZOFWVTXNDD-KXUCPTDWSA-N 1 0 200.351 1.080 10 0 BDAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCOC ZINC000094433186 360309286 /nfs/dbraw/zinc/30/92/86/360309286.db2.gz MZVZDHZJWNEGQI-UONOGXRCSA-N 1 0 240.391 1.972 10 0 BDAERO CC[C@H](C)[C@@H](C)[C@]1([NH3+])CCS(=O)(=O)C1 ZINC000306536337 360395637 /nfs/dbraw/zinc/39/56/37/360395637.db2.gz KIZXOPDJAPOCGJ-AEJSXWLSSA-N 1 0 219.350 1.185 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CC[NH2+]2)C[C@@H](C)S1 ZINC000306521129 360358539 /nfs/dbraw/zinc/35/85/39/360358539.db2.gz MHYLGJSUJKKUFL-BBBLOLIVSA-N 1 0 200.351 1.174 10 0 BDAERO F[C@H](Cc1csnn1)[C@@H]1CCC[NH2+]1 ZINC000306521480 360359328 /nfs/dbraw/zinc/35/93/28/360359328.db2.gz GAZCCYQYUPISKY-SFYZADRCSA-N 1 0 201.270 1.171 10 0 BDAERO C[C@@H]1CC[C@@]1(CN)[N@H+](C)[C@@H]1CCSC1 ZINC000306562374 360440659 /nfs/dbraw/zinc/44/06/59/360440659.db2.gz ULDOSHULSVSWNZ-MXWKQRLJSA-N 1 0 214.378 1.551 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CCSC[C@@H]1C ZINC000069760945 360409380 /nfs/dbraw/zinc/40/93/80/360409380.db2.gz BLBRZVQULKZQMF-BQBZGAKWSA-N 1 0 204.364 1.098 10 0 BDAERO [NH3+]CC(=O)NCc1cc2sccc2s1 ZINC000306547194 360415491 /nfs/dbraw/zinc/41/54/91/360415491.db2.gz XATVQDNOAUYKNW-UHFFFAOYSA-N 1 0 226.326 1.538 10 0 BDAERO COc1ncc([C@@H](N)c2cnns2)s1 ZINC000306546612 360417844 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/nfs/dbraw/zinc/53/20/78/360532078.db2.gz XXDGTYGKBGQWHQ-UWVGGRQHSA-N 1 0 200.351 1.033 10 0 BDAERO Brc1cncc(NC2=[NH+]CCN2)c1 ZINC000300782963 360502538 /nfs/dbraw/zinc/50/25/38/360502538.db2.gz AVZQTOKNCUEPMS-UHFFFAOYSA-N 1 0 241.092 1.215 10 0 BDAERO O=[S@@](c1cc(F)ccc1F)C1C[NH2+]C1 ZINC000306593103 360514302 /nfs/dbraw/zinc/51/43/02/360514302.db2.gz IUJLAYUCSQEEOE-CQSZACIVSA-N 1 0 217.240 1.044 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH3+])C[C@@H]1F ZINC000238114360 360574345 /nfs/dbraw/zinc/57/43/45/360574345.db2.gz ZOZMDUIUTNXPHS-BIIVOSGPSA-N 1 0 218.272 1.339 10 0 BDAERO [NH3+]CC1([C@@H](O)c2ccc(Br)o2)CC1 ZINC000306609167 360587657 /nfs/dbraw/zinc/58/76/57/360587657.db2.gz XWMPIFMDEPJDHZ-QMMMGPOBSA-N 1 0 246.104 1.814 10 0 BDAERO COC[C@H](C)C[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000151731849 360712660 /nfs/dbraw/zinc/71/26/60/360712660.db2.gz DPYOCDNTDIEKOG-UPJWGTAASA-N 1 0 228.380 1.587 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000381137740 360748092 /nfs/dbraw/zinc/74/80/92/360748092.db2.gz MAWIVJCQOXRADF-WZRBSPASSA-N 1 0 229.364 1.534 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2cc(C)ncn2)C1 ZINC000309626318 491153068 /nfs/dbraw/zinc/15/30/68/491153068.db2.gz GNTDGCORPUVFLC-GXSJLCMTSA-N 1 0 220.320 1.537 10 0 BDAERO CC(C)[C@@H]1C[C@@](C[NH3+])(N(C)C)CCO1 ZINC000069892053 360950520 /nfs/dbraw/zinc/95/05/20/360950520.db2.gz HIYTUJOLAURXMP-QWRGUYRKSA-N 1 0 200.326 1.081 10 0 BDAERO COC(=O)c1ccc([C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC000238402351 360995139 /nfs/dbraw/zinc/99/51/39/360995139.db2.gz GKBMCAXVTZGHQZ-SKDRFNHKSA-N 1 0 219.284 1.939 10 0 BDAERO c1n[nH]cc1C[NH2+]C[C@@H]1CC12CCOCC2 ZINC000309644114 491153454 /nfs/dbraw/zinc/15/34/54/491153454.db2.gz VMFPFNYBJQBGCG-NSHDSACASA-N 1 0 221.304 1.316 10 0 BDAERO C[C@@]([NH3+])(CO)c1cncc(Br)c1 ZINC000238448647 361067879 /nfs/dbraw/zinc/06/78/79/361067879.db2.gz HOFHUIFYFKEGEN-MRVPVSSYSA-N 1 0 231.093 1.010 10 0 BDAERO CCN(CC[NH3+])c1nnc(C(F)F)s1 ZINC000379548622 361071163 /nfs/dbraw/zinc/07/11/63/361071163.db2.gz YZYLEVAXCZVXIK-UHFFFAOYSA-N 1 0 222.264 1.261 10 0 BDAERO COC[C@H](CC(C)C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000309665832 491154193 /nfs/dbraw/zinc/15/41/93/491154193.db2.gz UASCUGPHICCDIV-RWMBFGLXSA-N 1 0 229.364 1.941 10 0 BDAERO Cc1cc(C[NH3+])cnc1OC(F)(F)F ZINC000238484408 361115438 /nfs/dbraw/zinc/11/54/38/361115438.db2.gz HMPMUFKNGZEDRG-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO CC[C@H](C)C[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC000309699018 491154710 /nfs/dbraw/zinc/15/47/10/491154710.db2.gz LXJSRXOBZCGDAO-GMXVVIOVSA-N 1 0 226.364 1.879 10 0 BDAERO [NH3+]C1(C(=O)N2CCCC[C@@H]2CO)CCCCC1 ZINC000036135476 181324361 /nfs/dbraw/zinc/32/43/61/181324361.db2.gz LWNSEMZIGNTRMW-LLVKDONJSA-N 1 0 240.347 1.021 10 0 BDAERO CC(C)[C@H]([NH3+])c1noc(C(F)(F)F)n1 ZINC000041049609 361192159 /nfs/dbraw/zinc/19/21/59/361192159.db2.gz NMHKNWDPTVEUKJ-BYPYZUCNSA-N 1 0 209.171 1.744 10 0 BDAERO CC[C@](C)([NH3+])c1nc2c(s1)COCC2 ZINC000041059562 361222339 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CCCOc1nccnc1NCC[C@H](C)[NH3+] ZINC000630508241 364196197 /nfs/dbraw/zinc/19/61/97/364196197.db2.gz IMCNPNNRUQKAIN-VIFPVBQESA-N 1 0 224.308 1.415 10 0 BDAERO Cc1cc(C(C)C)nc(NCC23CC(C2)C[NH2+]3)n1 ZINC000630519488 364203667 /nfs/dbraw/zinc/20/36/67/364203667.db2.gz UEGMRGMELDGMEL-UHFFFAOYSA-N 1 0 246.358 1.494 10 0 BDAERO [NH3+]CC1(C(=O)NC2CCC2)CCCCC1 ZINC000052209285 181358569 /nfs/dbraw/zinc/35/85/69/181358569.db2.gz CNTQGKAMRXDRCV-UHFFFAOYSA-N 1 0 210.321 1.564 10 0 BDAERO [NH3+]CC1(C(=O)N2CCc3ccccc3C2)CC1 ZINC000077359847 181358900 /nfs/dbraw/zinc/35/89/00/181358900.db2.gz MCAICEMATZODKZ-UHFFFAOYSA-N 1 0 230.311 1.310 10 0 BDAERO [NH3+][C@H]1CCCCCN(c2cnccn2)C1 ZINC000630549409 364242547 /nfs/dbraw/zinc/24/25/47/364242547.db2.gz NJXXPKHHVZEXKZ-JTQLQIEISA-N 1 0 206.293 1.184 10 0 BDAERO COc1ccnc(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000630550434 364243985 /nfs/dbraw/zinc/24/39/85/364243985.db2.gz QRKBUCDDPAFUED-JTQLQIEISA-N 1 0 236.319 1.193 10 0 BDAERO 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C[C@H]1CC[C@H](Nc2cn[nH]c(=O)c2Cl)C[NH2+]1 ZINC000630534558 364227857 /nfs/dbraw/zinc/22/78/57/364227857.db2.gz NBXCSCCNBVHFDG-BQBZGAKWSA-N 1 0 242.710 1.388 10 0 BDAERO CCc1ncnc(N[C@@H]2CC[C@H](C)[NH2+]C2)c1F ZINC000630535320 364229985 /nfs/dbraw/zinc/22/99/85/364229985.db2.gz TXFGLVGAVPKXBW-DTWKUNHWSA-N 1 0 238.310 1.731 10 0 BDAERO C[C@H](NC(=O)C1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC000037626252 364354609 /nfs/dbraw/zinc/35/46/09/364354609.db2.gz SJAQNKYNFHDZOV-XKGSQUFQSA-N 1 0 240.347 1.188 10 0 BDAERO [NH3+]CC1(c2ccc(F)cc2)CCC(O)CC1 ZINC000035630100 181363018 /nfs/dbraw/zinc/36/30/18/181363018.db2.gz CXISUUMUSKWVQB-UHFFFAOYSA-N 1 0 223.291 1.957 10 0 BDAERO CCC(CC)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861792 364533515 /nfs/dbraw/zinc/53/35/15/364533515.db2.gz NYSUYUPIPHIEQM-LLVKDONJSA-N 1 0 227.352 1.521 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOC(C)(C)C ZINC000247122749 364618077 /nfs/dbraw/zinc/61/80/77/364618077.db2.gz JBDJKGRXKVITTI-OLZOCXBDSA-N 1 0 240.391 1.970 10 0 BDAERO CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247105172 364618856 /nfs/dbraw/zinc/61/88/56/364618856.db2.gz IOGBLGQUOGJDSN-MNOVXSKESA-N 1 0 210.321 1.482 10 0 BDAERO COCCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247459745 364623162 /nfs/dbraw/zinc/62/31/62/364623162.db2.gz QRMPFMKVWULYTB-NEPJUHHUSA-N 1 0 212.337 1.191 10 0 BDAERO [NH3+]CCC(=O)Nc1ccc(F)c(F)c1 ZINC000019257413 181368782 /nfs/dbraw/zinc/36/87/82/181368782.db2.gz XGJVMIHNRQZFPE-UHFFFAOYSA-N 1 0 200.188 1.252 10 0 BDAERO [NH3+]CCC(=O)OCCc1ccc2c(c1)CCO2 ZINC000077370810 181369780 /nfs/dbraw/zinc/36/97/80/181369780.db2.gz HHGCCQDUGHUUJA-UHFFFAOYSA-N 1 0 235.283 1.056 10 0 BDAERO [NH3+]CCC(=O)O[C@@H]1CCCc2ccccc21 ZINC000040410893 181370371 /nfs/dbraw/zinc/37/03/71/181370371.db2.gz GHQCIQHWEKPEKO-GFCCVEGCSA-N 1 0 219.284 1.956 10 0 BDAERO CCN(C1C[NH2+]C1)[C@@H]1CCCS[C@H]1C ZINC000252658806 364731525 /nfs/dbraw/zinc/73/15/25/364731525.db2.gz LNJMZUYEPWAETC-GXSJLCMTSA-N 1 0 214.378 1.564 10 0 BDAERO O=C(OCc1ccccc1)N1C[C@@H]2[NH2+]CC[C@@H]21 ZINC000218579804 364761643 /nfs/dbraw/zinc/76/16/43/364761643.db2.gz YBLYJVWXMJIJDA-RYUDHWBXSA-N 1 0 232.283 1.369 10 0 BDAERO Cc1nnsc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324374903 364772983 /nfs/dbraw/zinc/77/29/83/364772983.db2.gz UVZWPTKPYGUAGS-SECBINFHSA-N 1 0 229.349 1.343 10 0 BDAERO [NH3+]CCC1CCN(Cc2ncccn2)CC1 ZINC000054460300 181371542 /nfs/dbraw/zinc/37/15/42/181371542.db2.gz UYJZHKCUVBPECM-UHFFFAOYSA-N 1 0 220.320 1.037 10 0 BDAERO C[C@H](Nc1cccc(CO)c1)[C@@H]1CCC[NH2+]C1 ZINC000573693919 364888363 /nfs/dbraw/zinc/88/83/63/364888363.db2.gz XUDVPPPBQLETAZ-WCQYABFASA-N 1 0 234.343 1.979 10 0 BDAERO [NH3+]CCCC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000119338305 181372796 /nfs/dbraw/zinc/37/27/96/181372796.db2.gz YEJYKAGLYOVZIZ-GXTWGEPZSA-N 1 0 248.326 1.372 10 0 BDAERO [NH3+]CCCC(=O)Nc1ccc(F)c(F)c1F ZINC000011755496 181373961 /nfs/dbraw/zinc/37/39/61/181373961.db2.gz QUHPGWMPXFETNM-UHFFFAOYSA-N 1 0 232.205 1.781 10 0 BDAERO [NH3+]CCCCCN1C(=O)Cc2ccccc2C1=O ZINC000049582050 181375495 /nfs/dbraw/zinc/37/54/95/181375495.db2.gz ROHGHLPAXZGOEG-UHFFFAOYSA-N 1 0 246.310 1.341 10 0 BDAERO [NH3+]CCCCCc1nc2cccnc2[nH]1 ZINC000019752671 181376339 /nfs/dbraw/zinc/37/63/39/181376339.db2.gz DHWMDLRFOJIPJY-UHFFFAOYSA-N 1 0 204.277 1.629 10 0 BDAERO [NH3+]CCCCn1cnc2ccccc2c1=O ZINC000020295707 181379339 /nfs/dbraw/zinc/37/93/39/181379339.db2.gz ZIONMNFPSHUOCV-UHFFFAOYSA-N 1 0 217.272 1.135 10 0 BDAERO CC(C)CCn1ncc2c1nc[nH+]c2NN ZINC000669377096 541436537 /nfs/dbraw/zinc/43/65/37/541436537.db2.gz GESKFCVDZVOZKW-UHFFFAOYSA-N 1 0 220.280 1.158 10 0 BDAERO [NH3+]CCCN(C(=O)C1CC1)c1ccc(F)cc1 ZINC000020233194 181379934 /nfs/dbraw/zinc/37/99/34/181379934.db2.gz KUEYGQMODYKZHI-UHFFFAOYSA-N 1 0 236.290 1.918 10 0 BDAERO CN1CC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000212376245 541449989 /nfs/dbraw/zinc/44/99/89/541449989.db2.gz NIZNMYFICCBPHV-NSHDSACASA-N 1 0 208.330 1.425 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000252647430 541451183 /nfs/dbraw/zinc/45/11/83/541451183.db2.gz UFGHGXPWDNPGSC-XQQFMLRXSA-N 1 0 226.364 1.485 10 0 BDAERO [NH3+]CCCOc1cnc2ccccc2n1 ZINC000052018292 181384300 /nfs/dbraw/zinc/38/43/00/181384300.db2.gz CTZUXTAOJNZENM-UHFFFAOYSA-N 1 0 203.245 1.357 10 0 BDAERO [NH3+]CCCOc1ccc2ccccc2n1 ZINC000051870648 181384499 /nfs/dbraw/zinc/38/44/99/181384499.db2.gz KZEQCMXQBGYSDO-UHFFFAOYSA-N 1 0 202.257 1.962 10 0 BDAERO [NH3+]CCCS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000058250640 181384673 /nfs/dbraw/zinc/38/46/73/181384673.db2.gz DDZWAPDJRNDGBT-UHFFFAOYSA-N 1 0 247.747 1.604 10 0 BDAERO [NH3+]CCC[S@@](=O)c1ccc(F)c(F)c1 ZINC000040954868 181385583 /nfs/dbraw/zinc/38/55/83/181385583.db2.gz WIDSXHQYPQWSCF-AWEZNQCLSA-N 1 0 219.256 1.421 10 0 BDAERO [NH3+]CCC[S@@](=O)c1ccc(F)cc1 ZINC000040954712 181385774 /nfs/dbraw/zinc/38/57/74/181385774.db2.gz BMVOVYMYUMFXIS-ZDUSSCGKSA-N 1 0 201.266 1.282 10 0 BDAERO [NH3+]CCCc1nc(-c2ccccn2)c[nH]1 ZINC000036874289 181386782 /nfs/dbraw/zinc/38/67/82/181386782.db2.gz HFTBOZKKIGPLLS-UHFFFAOYSA-N 1 0 202.261 1.363 10 0 BDAERO [NH3+]CCN1C(=O)CC2(CCCCCC2)C1=O ZINC000037751203 181390537 /nfs/dbraw/zinc/39/05/37/181390537.db2.gz KZKAYODJWLBWGI-UHFFFAOYSA-N 1 0 224.304 1.045 10 0 BDAERO [NH3+]CCNCc1ccc(Br)cc1 ZINC000037712261 181396939 /nfs/dbraw/zinc/39/69/39/181396939.db2.gz UWHJTZYHBHJFCQ-UHFFFAOYSA-N 1 0 229.121 1.497 10 0 BDAERO [NH3+]CCOCCNc1ncccc1C(F)(F)F ZINC000104315358 181399096 /nfs/dbraw/zinc/39/90/96/181399096.db2.gz YBOJEMOXLBJSOD-UHFFFAOYSA-N 1 0 249.236 1.488 10 0 BDAERO [NH3+]CCOCCOc1ccc(F)c(F)c1 ZINC000041229486 181399602 /nfs/dbraw/zinc/39/96/02/181399602.db2.gz FFZNAIAIFZDHMV-UHFFFAOYSA-N 1 0 217.215 1.319 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2CC(C)C2)C1 ZINC000575044754 365175683 /nfs/dbraw/zinc/17/56/83/365175683.db2.gz WSXNBVKWMDPECH-UPOSSJBDSA-N 1 0 224.348 1.618 10 0 BDAERO [NH3+]CCc1ccc(NC(=O)C2CC2)cc1 ZINC000020224389 181411931 /nfs/dbraw/zinc/41/19/31/181411931.db2.gz NRLIZQBQLFRPLM-UHFFFAOYSA-N 1 0 204.273 1.536 10 0 BDAERO [NH3+]CCc1csc(NC2CCCC2)n1 ZINC000020185220 181413243 /nfs/dbraw/zinc/41/32/43/181413243.db2.gz XCTQVFKDSMEAEF-UHFFFAOYSA-N 1 0 211.334 1.999 10 0 BDAERO [NH3+]CCc1nnc(-c2cccc(F)c2)o1 ZINC000011585759 181414429 /nfs/dbraw/zinc/41/44/29/181414429.db2.gz WLYCOLXNNYMHDF-UHFFFAOYSA-N 1 0 207.208 1.377 10 0 BDAERO [NH3+]CCn1cnc2cc(Br)cnc21 ZINC000036252775 181415536 /nfs/dbraw/zinc/41/55/36/181415536.db2.gz JWWWIZKSUQVRBN-UHFFFAOYSA-N 1 0 241.092 1.153 10 0 BDAERO [NH3+]CCn1ccnc1C(Cl)(Cl)Cl ZINC000082735393 181415947 /nfs/dbraw/zinc/41/59/47/181415947.db2.gz SKWBVDGFHCIOGE-UHFFFAOYSA-N 1 0 228.510 1.669 10 0 BDAERO [NH3+]C[C@@H](O)CCOc1ccc2c(c1)CCC2 ZINC000019668572 181421758 /nfs/dbraw/zinc/42/17/58/181421758.db2.gz RGKNJKWCHMWVOA-LBPRGKRZSA-N 1 0 221.300 1.264 10 0 BDAERO Cc1nn(C)c2c1nc(C[NH3+])cc2C(C)C ZINC000116568427 370805608 /nfs/dbraw/zinc/80/56/08/370805608.db2.gz ZQDGYDHQDFEARD-UHFFFAOYSA-N 1 0 218.304 1.859 10 0 BDAERO COCCC[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000182710871 366932939 /nfs/dbraw/zinc/93/29/39/366932939.db2.gz VDOIHPCUIRBOLV-NEPJUHHUSA-N 1 0 242.363 1.212 10 0 BDAERO CC[N@@H+]1CCC[C@@H](Nc2ccncc2C(N)=O)C1 ZINC000184074387 367063732 /nfs/dbraw/zinc/06/37/32/367063732.db2.gz QYBAAYOTQYPCMS-SNVBAGLBSA-N 1 0 248.330 1.077 10 0 BDAERO CC(C)OCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000184244941 367070769 /nfs/dbraw/zinc/07/07/69/367070769.db2.gz BQYRSWUBJBUIDS-LBPRGKRZSA-N 1 0 242.363 1.354 10 0 BDAERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cscn1 ZINC000580963535 367221149 /nfs/dbraw/zinc/22/11/49/367221149.db2.gz OYOABQFGNRGOPG-GZMMTYOYSA-N 1 0 239.344 1.462 10 0 BDAERO Cc1cnc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)nc1 ZINC000380705482 367282235 /nfs/dbraw/zinc/28/22/35/367282235.db2.gz LWWGEUHXMTTXRR-ZYHUDNBSSA-N 1 0 220.320 1.206 10 0 BDAERO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CNC(=O)O1 ZINC000381332731 367383254 /nfs/dbraw/zinc/38/32/54/367383254.db2.gz UNKZBBRZRQCBJO-OPRDCNLKSA-N 1 0 244.360 1.359 10 0 BDAERO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CNC(=O)O1 ZINC000381332728 367383315 /nfs/dbraw/zinc/38/33/15/367383315.db2.gz UNKZBBRZRQCBJO-LPEHRKFASA-N 1 0 244.360 1.359 10 0 BDAERO C[C@@H](C[NH2+][C@@H]1C[C@H]1CO)Cc1ccccc1 ZINC000382037635 367480335 /nfs/dbraw/zinc/48/03/35/367480335.db2.gz WJTGCXAAIWWUMQ-KWCYVHTRSA-N 1 0 219.328 1.836 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](SC)C1 ZINC000382921886 367566937 /nfs/dbraw/zinc/56/69/37/367566937.db2.gz IMJHGMVVZZOXOX-NXEZZACHSA-N 1 0 203.351 1.585 10 0 BDAERO [NH3+]CC[C@@H](Nc1ccccn1)C(F)F ZINC000383216643 367606879 /nfs/dbraw/zinc/60/68/79/367606879.db2.gz ABHTVKKFAJBUBL-SSDOTTSWSA-N 1 0 201.220 1.476 10 0 BDAERO CC(C)OCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000383363282 367617152 /nfs/dbraw/zinc/61/71/52/367617152.db2.gz DYVPRCHRYDKLAR-NEPJUHHUSA-N 1 0 242.363 1.306 10 0 BDAERO [NH3+]CC[C@@H](Nc1ncc(Cl)cn1)C(F)F ZINC000383519984 367633443 /nfs/dbraw/zinc/63/34/43/367633443.db2.gz VCCHDZCHYOEZAM-ZCFIWIBFSA-N 1 0 236.653 1.524 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000384142850 367673382 /nfs/dbraw/zinc/67/33/82/367673382.db2.gz NOKKZCPACYKREF-WDEREUQCSA-N 1 0 244.379 1.288 10 0 BDAERO Cc1nnsc1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000384186567 367674101 /nfs/dbraw/zinc/67/41/01/367674101.db2.gz SPLMTPBSADJCRM-PSASIEDQSA-N 1 0 240.376 1.467 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384608651 367706985 /nfs/dbraw/zinc/70/69/85/367706985.db2.gz OQMWVJHORRKAOV-MROQNXINSA-N 1 0 226.364 1.626 10 0 BDAERO COc1cc(C[NH2+]CC[C@@H]2CCCO2)sn1 ZINC000399157029 367688823 /nfs/dbraw/zinc/68/88/23/367688823.db2.gz HTNRHMUBWKZXIO-VIFPVBQESA-N 1 0 242.344 1.810 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000384853863 367744989 /nfs/dbraw/zinc/74/49/89/367744989.db2.gz LLMXKDLWFKKXNT-WOPDTQHZSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000384908384 367755035 /nfs/dbraw/zinc/75/50/35/367755035.db2.gz YAWLEXWMJKIFFW-QWRGUYRKSA-N 1 0 243.347 1.563 10 0 BDAERO C[C@H]([NH2+]Cc1ccc(CO)o1)[C@H]1CCCO1 ZINC000081574521 370895998 /nfs/dbraw/zinc/89/59/98/370895998.db2.gz YNUVYSHLDXMPFZ-JOYOIKCWSA-N 1 0 225.288 1.429 10 0 BDAERO C[C@H](CO)S[C@@H]1CCC(C)(C)[C@H]1[NH3+] ZINC000252749173 367906915 /nfs/dbraw/zinc/90/69/15/367906915.db2.gz DWNBIXVWBFQVFR-HLTSFMKQSA-N 1 0 203.351 1.616 10 0 BDAERO OC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)C1CCCC1 ZINC000386074846 367909825 /nfs/dbraw/zinc/90/98/25/367909825.db2.gz BBGMUOZFXAGFGW-JHJVBQTASA-N 1 0 227.348 1.431 10 0 BDAERO OC[C@H]([NH2+][C@@H]1CCn2ccnc21)C1CCCCC1 ZINC000386177019 367923706 /nfs/dbraw/zinc/92/37/06/367923706.db2.gz NYTYXHBAXSGTMG-OLZOCXBDSA-N 1 0 249.358 1.859 10 0 BDAERO Cc1cnc(N[C@@H](CC[NH3+])C(F)F)nc1C ZINC000386552577 367990244 /nfs/dbraw/zinc/99/02/44/367990244.db2.gz MFOABYPRJZIJLU-QMMMGPOBSA-N 1 0 230.262 1.488 10 0 BDAERO C[C@@H](c1cscn1)N(C)[C@H]1CC[NH2+]C1 ZINC000252939837 368168410 /nfs/dbraw/zinc/16/84/10/368168410.db2.gz IIJUKABKRNSKKF-IUCAKERBSA-N 1 0 211.334 1.498 10 0 BDAERO COC[C@@H]([NH3+])C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000399521052 368171662 /nfs/dbraw/zinc/17/16/62/368171662.db2.gz OOKHDOCQHYXPMB-VHSXEESVSA-N 1 0 230.352 1.101 10 0 BDAERO CC(=O)C[C@@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000252981564 368176075 /nfs/dbraw/zinc/17/60/75/368176075.db2.gz RRZXITXQWFJSQU-PSASIEDQSA-N 1 0 201.335 1.791 10 0 BDAERO [NH3+]CC[C@@H]1CCc2ccc3c(c21)NC(=O)CO3 ZINC000038284415 368325796 /nfs/dbraw/zinc/32/57/96/368325796.db2.gz ACHJSSRFPVKVIM-VIFPVBQESA-N 1 0 232.283 1.396 10 0 BDAERO O=C1N[C@H](c2ccccc2)CN1C1CC[NH2+]CC1 ZINC000141752289 368348143 /nfs/dbraw/zinc/34/81/43/368348143.db2.gz XNIDTJCFIHOYOD-ZDUSSCGKSA-N 1 0 245.326 1.505 10 0 BDAERO COC(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1F ZINC000215636805 368362080 /nfs/dbraw/zinc/36/20/80/368362080.db2.gz UDPQNVPDDMEKEH-SECBINFHSA-N 1 0 223.247 1.689 10 0 BDAERO O=C(c1ccc(F)cc1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000209245597 368398410 /nfs/dbraw/zinc/39/84/10/368398410.db2.gz BLLWGNQEBCPHCJ-PWSUYJOCSA-N 1 0 234.274 1.260 10 0 BDAERO CC[C@H]1C[N@@H+]([C@H]2CCCC2=O)CCS1 ZINC000253073764 368470868 /nfs/dbraw/zinc/47/08/68/368470868.db2.gz PBPLUQJTTBNYLO-UWVGGRQHSA-N 1 0 213.346 1.935 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1nc2ccccc2[nH]1 ZINC000082457819 368686648 /nfs/dbraw/zinc/68/66/48/368686648.db2.gz UUZRVEUZOQXOPJ-SSDOTTSWSA-N 1 0 218.260 1.109 10 0 BDAERO CC[C@@](CC[NH+](C)C)(C(N)=O)c1ccccc1 ZINC000002033122 368741272 /nfs/dbraw/zinc/74/12/72/368741272.db2.gz WIGLWDYSZRNQOI-AWEZNQCLSA-N 1 0 234.343 1.771 10 0 BDAERO COc1ccccc1CC[C@@H]1C[NH2+]CCO1 ZINC000084013209 368845619 /nfs/dbraw/zinc/84/56/19/368845619.db2.gz PJNADVBYAIPEGD-GFCCVEGCSA-N 1 0 221.300 1.616 10 0 BDAERO CC(C)n1ccc(C[NH2+]CC(C)(C)O)n1 ZINC000083464491 368778252 /nfs/dbraw/zinc/77/82/52/368778252.db2.gz QNINUFHKBVWJKL-UHFFFAOYSA-N 1 0 211.309 1.325 10 0 BDAERO C[C@H]1C[S@@](=O)C[C@H](Cc2ccccc2)[NH2+]1 ZINC000085311910 368864504 /nfs/dbraw/zinc/86/45/04/368864504.db2.gz JKNNUKNXKBMBTA-WBIUFABUSA-N 1 0 223.341 1.338 10 0 BDAERO Brc1c[nH]c([C@@H]2CCC[NH2+]2)n1 ZINC000113369406 368891154 /nfs/dbraw/zinc/89/11/54/368891154.db2.gz KYKBJSWUULGMBH-YFKPBYRVSA-N 1 0 216.082 1.597 10 0 BDAERO C[C@@H]1C[N@H+](C)CC[C@H]1n1cncc1C=O ZINC000253283897 368912213 /nfs/dbraw/zinc/91/22/13/368912213.db2.gz MKSNORZPQATAPY-MWLCHTKSSA-N 1 0 207.277 1.208 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCOC[C@@H]2O)cs1 ZINC000623766585 369030155 /nfs/dbraw/zinc/03/01/55/369030155.db2.gz IQVXOOGVYCIUDT-QWRGUYRKSA-N 1 0 227.329 1.296 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1OC(=O)N1CCCCC1 ZINC000131774125 259536002 /nfs/dbraw/zinc/53/60/02/259536002.db2.gz DGZDDNVWKKNDOW-ZJUUUORDSA-N 1 0 212.293 1.489 10 0 BDAERO [NH3+][C@H](C1CCC1)[C@H]1CSCCS1 ZINC000161435754 369084483 /nfs/dbraw/zinc/08/44/83/369084483.db2.gz NSSJPRAIFSFFAX-RKDXNWHRSA-N 1 0 203.376 1.962 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1cccc(O)c1 ZINC000054686352 369087503 /nfs/dbraw/zinc/08/75/03/369087503.db2.gz HNXULIJRZDKYNQ-LSDHHAIUSA-N 1 0 243.306 1.996 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2ccncn2)CC1 ZINC000616595563 369099594 /nfs/dbraw/zinc/09/95/94/369099594.db2.gz WYTOPWZEDDJAIT-LLVKDONJSA-N 1 0 207.277 1.260 10 0 BDAERO [NH3+]C[C@H](Sc1nc[nH]n1)c1ccc(F)cc1 ZINC000042942968 181452986 /nfs/dbraw/zinc/45/29/86/181452986.db2.gz ICCYHANEXQEACL-VIFPVBQESA-N 1 0 238.291 1.736 10 0 BDAERO [NH3+]C[C@H](O)CCOc1ccc(F)cc1F ZINC000019668634 181449307 /nfs/dbraw/zinc/44/93/07/181449307.db2.gz ZMDQBKOFOHFAOK-MRVPVSSYSA-N 1 0 217.215 1.053 10 0 BDAERO C[C@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000631839840 369185868 /nfs/dbraw/zinc/18/58/68/369185868.db2.gz LPPJVGODMSWIEA-KBPBESRZSA-N 1 0 248.370 1.982 10 0 BDAERO OCCN1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000108110208 369376627 /nfs/dbraw/zinc/37/66/27/369376627.db2.gz NBKKZYXMHPUORR-CQSZACIVSA-N 1 0 240.391 1.613 10 0 BDAERO C(C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1)C1CCCC1 ZINC000404212235 369422332 /nfs/dbraw/zinc/42/23/32/369422332.db2.gz WGIRUJTYQUTQFL-KGLIPLIRSA-N 1 0 238.375 1.629 10 0 BDAERO CCN1CC[C@@H](C[NH3+])[C@@H]1c1nccs1 ZINC000161679708 370960359 /nfs/dbraw/zinc/96/03/59/370960359.db2.gz XYBSUGHLHWQOEO-DTWKUNHWSA-N 1 0 211.334 1.485 10 0 BDAERO CC1(C)C[C@@H](NC2=[NH+]CCS2)CCO1 ZINC000215405105 370958443 /nfs/dbraw/zinc/95/84/43/370958443.db2.gz SAZUXCCKCJRRAK-QMMMGPOBSA-N 1 0 214.334 1.636 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000567846817 326268852 /nfs/dbraw/zinc/26/88/52/326268852.db2.gz RPMLIFGZMMWRLC-DJRKXVOMSA-N 1 0 210.321 1.276 10 0 BDAERO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000253603397 370186198 /nfs/dbraw/zinc/18/61/98/370186198.db2.gz DRMPSCJGOUWIFZ-IJLUTSLNSA-N 1 0 212.337 1.190 10 0 BDAERO O[C@H](c1nccs1)[C@@H]1CCCCC[NH2+]1 ZINC000161532958 370133879 /nfs/dbraw/zinc/13/38/79/370133879.db2.gz INEDLXQPURNUAQ-IUCAKERBSA-N 1 0 212.318 1.709 10 0 BDAERO Cc1nccnc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000621328053 370259423 /nfs/dbraw/zinc/25/94/23/370259423.db2.gz DTXDVUXFNIXBGH-PWSUYJOCSA-N 1 0 221.304 1.442 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(CCO)C2)C1 ZINC000309783708 370260957 /nfs/dbraw/zinc/26/09/57/370260957.db2.gz NMHTZZIMLKNFGN-FRRDWIJNSA-N 1 0 226.364 1.221 10 0 BDAERO C[C@@H](CN1CCCCC1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000310203548 370321032 /nfs/dbraw/zinc/32/10/32/370321032.db2.gz CTWBGHGEHCGFHP-QWHCGFSZSA-N 1 0 242.407 1.857 10 0 BDAERO C[C@]1(C(=O)NCC[C@@H]2CC2(F)F)CCC[NH2+]1 ZINC000621674429 370426862 /nfs/dbraw/zinc/42/68/62/370426862.db2.gz SRUGVUBDDWUMHR-PSASIEDQSA-N 1 0 232.274 1.290 10 0 BDAERO O[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)C1CCC1 ZINC000316048813 326345735 /nfs/dbraw/zinc/34/57/35/326345735.db2.gz WYYLYHBVGVKPSR-IJLUTSLNSA-N 1 0 213.321 1.041 10 0 BDAERO C[C@H](C[NH3+])Cc1cncc(Br)c1 ZINC000161597583 370546250 /nfs/dbraw/zinc/54/62/50/370546250.db2.gz OKHRNIAKAANGIA-ZETCQYMHSA-N 1 0 229.121 1.981 10 0 BDAERO [O-][N+]1=CC(c2ccccc2)=[N+](O)[C@H]2CCCC[C@@H]21 ZINC000225398297 370522722 /nfs/dbraw/zinc/52/27/22/370522722.db2.gz YDHZFWSPVXDMRR-STQMWFEESA-N 1 0 246.310 1.675 10 0 BDAERO COC[C@@H]([NH3+])c1ccc(Br)o1 ZINC000161682035 371011205 /nfs/dbraw/zinc/01/12/05/371011205.db2.gz JLIRWRKOQFSJEG-RXMQYKEDSA-N 1 0 220.066 1.688 10 0 BDAERO C[NH+]1CCN(c2cccc3cnccc32)CC1 ZINC000082792182 371036985 /nfs/dbraw/zinc/03/69/85/371036985.db2.gz AVBZQZPGIVMEPM-UHFFFAOYSA-N 1 0 227.311 1.987 10 0 BDAERO COCC(C)(C)C[NH2+]CC1CC(O)C1 ZINC000623748432 371079436 /nfs/dbraw/zinc/07/94/36/371079436.db2.gz FUNYZBHAGMJKMU-UHFFFAOYSA-N 1 0 201.310 1.020 10 0 BDAERO [NH3+][C@@H](CC(=O)N1CCSC1)CC1CCCC1 ZINC000028361361 181536939 /nfs/dbraw/zinc/53/69/39/181536939.db2.gz HADAEKNTJIJDAL-LLVKDONJSA-N 1 0 242.388 1.817 10 0 BDAERO Cc1nsc(NCC[NH2+]C2CC2)c1C#N ZINC000389934959 371180715 /nfs/dbraw/zinc/18/07/15/371180715.db2.gz MPUGHKWNYYPHKQ-UHFFFAOYSA-N 1 0 222.317 1.487 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3nccn3C2)C1 ZINC000390495347 371207676 /nfs/dbraw/zinc/20/76/76/371207676.db2.gz RPEBYVOPWUULRM-UTUOFQBUSA-N 1 0 219.332 1.976 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCC(=O)c1cccs1 ZINC000095072262 181574336 /nfs/dbraw/zinc/57/43/36/181574336.db2.gz KDEWQNUJBRUZIN-ZJUUUORDSA-N 1 0 238.356 1.790 10 0 BDAERO Nc1cccc(CCC[NH+]2CCOCC2)c1 ZINC000020192227 371241651 /nfs/dbraw/zinc/24/16/51/371241651.db2.gz OFRNRABAIHKTLR-UHFFFAOYSA-N 1 0 220.316 1.534 10 0 BDAERO [NH3+][C@@H]1CCOC[C@@H]1Oc1cc(F)cc(F)c1 ZINC000054932723 181589659 /nfs/dbraw/zinc/58/96/59/181589659.db2.gz KFLNGRDICWNDJA-MNOVXSKESA-N 1 0 229.226 1.460 10 0 BDAERO [NH3+][C@H]1CC[C@H](NC(=O)c2ccsc2)CC1 ZINC000100267834 181590823 /nfs/dbraw/zinc/59/08/23/181590823.db2.gz GBELYGICSNELBD-AOOOYVTPSA-N 1 0 224.329 1.748 10 0 BDAERO Cc1csc([C@@H](C)[NH2+]C2CC(CO)C2)n1 ZINC000624017117 371250689 /nfs/dbraw/zinc/25/06/89/371250689.db2.gz PRVPPYOTPGKAPG-XNWIYYODSA-N 1 0 226.345 1.873 10 0 BDAERO [NH3+][C@H]1CC[C@H](Nc2ncc(Cl)cn2)CC1 ZINC000100267870 181592113 /nfs/dbraw/zinc/59/21/13/181592113.db2.gz VUIVJHJLKWBRLD-DTORHVGOSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@@H]1Cc2ccccc2[C@@H]1NC(=O)C1CCCC1 ZINC000104306679 181600479 /nfs/dbraw/zinc/60/04/79/181600479.db2.gz KJRGXUONOXUDMO-KGLIPLIRSA-N 1 0 244.338 1.918 10 0 BDAERO [NH3+][C@H]1CCOC[C@H]1Oc1ccc(Cl)cc1 ZINC000049960555 181653654 /nfs/dbraw/zinc/65/36/54/181653654.db2.gz BGMTXSNGBQTMML-WDEREUQCSA-N 1 0 227.691 1.835 10 0 BDAERO [NH3+][C@H]1CCOC[C@H]1Cc1cccc(F)c1 ZINC000074155752 181653655 /nfs/dbraw/zinc/65/36/55/181653655.db2.gz KLBFYQWSIWEERV-PWSUYJOCSA-N 1 0 209.264 1.732 10 0 BDAERO [NH3+][C@H](c1ccc(F)c(F)c1)[C@@H]1COCCO1 ZINC000055298728 181631238 /nfs/dbraw/zinc/63/12/38/181631238.db2.gz LVCJGITVVDEJHN-WDEREUQCSA-N 1 0 229.226 1.380 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nccn(C2CC2)c1=O ZINC000061767640 181641647 /nfs/dbraw/zinc/64/16/47/181641647.db2.gz VNYKQDJRRDTKPL-QWRGUYRKSA-N 1 0 248.330 1.260 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccccn1 ZINC000038049288 181642780 /nfs/dbraw/zinc/64/27/80/181642780.db2.gz BCQBMWKWNOIPSE-VHSXEESVSA-N 1 0 219.288 1.081 10 0 BDAERO [NH3+][C@H]1CCCN(S(=O)(=O)C2CCCCC2)C1 ZINC000038137439 181644594 /nfs/dbraw/zinc/64/45/94/181644594.db2.gz YCBTUAVALGRIMI-JTQLQIEISA-N 1 0 246.376 1.072 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1c1nc(C[C@@H]2CCCO2)no1 ZINC000104068557 181647633 /nfs/dbraw/zinc/64/76/33/181647633.db2.gz VSMPHPQDAAVHJK-GUBZILKMSA-N 1 0 237.303 1.386 10 0 BDAERO [NH3+][C@H]1CCN(C2CCCCCCC2)C1=O ZINC000049647327 181650712 /nfs/dbraw/zinc/65/07/12/181650712.db2.gz FHCMSLBMRCWSME-NSHDSACASA-N 1 0 210.321 1.659 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)s1 ZINC000624235730 371420517 /nfs/dbraw/zinc/42/05/17/371420517.db2.gz OMVHBZQPIDHNPD-AXFHLTTASA-N 1 0 241.356 1.857 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000624235389 371423105 /nfs/dbraw/zinc/42/31/05/371423105.db2.gz JPQKRIPZQNDPIQ-UBHSHLNASA-N 1 0 235.327 1.795 10 0 BDAERO CC1(C)CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624237336 371424939 /nfs/dbraw/zinc/42/49/39/371424939.db2.gz VOUSZPMVUIMZEY-RYUDHWBXSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)[C@H]1C ZINC000624238390 371427363 /nfs/dbraw/zinc/42/73/63/371427363.db2.gz QFHBYALJSLKFQH-SJHCENCUSA-N 1 0 227.348 1.551 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@@H]1CC1(C)C ZINC000624239664 371428704 /nfs/dbraw/zinc/42/87/04/371428704.db2.gz QNBXBZRKFPTNRQ-YFKTTZPYSA-N 1 0 227.348 1.551 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cs1 ZINC000624239470 371428961 /nfs/dbraw/zinc/42/89/61/371428961.db2.gz LVMZEKVYNHTLJS-ZMLRMANQSA-N 1 0 241.356 1.857 10 0 BDAERO Nc1cc[nH+]c(N[C@H](CO)Cc2ccccc2)c1 ZINC000063217977 181763922 /nfs/dbraw/zinc/76/39/22/181763922.db2.gz BRAVYCJCEHIVKA-ZDUSSCGKSA-N 1 0 243.310 1.679 10 0 BDAERO CSCC[C@@H](C)N(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000156788048 371500745 /nfs/dbraw/zinc/50/07/45/371500745.db2.gz VXTYVEBLJUBWNT-GHMZBOCLSA-N 1 0 246.420 1.960 10 0 BDAERO [NH3+][C@H]1CCN(C2CC2)[C@H]1c1nccs1 ZINC000161714483 371557386 /nfs/dbraw/zinc/55/73/86/371557386.db2.gz YWWKWNWVSYOBHC-DTWKUNHWSA-N 1 0 209.318 1.380 10 0 BDAERO Nc1ccccc1[C@H](O)C[NH+]1CCCC1 ZINC000051325724 181758470 /nfs/dbraw/zinc/75/84/70/181758470.db2.gz VPWFPKWKLXPMBV-GFCCVEGCSA-N 1 0 206.289 1.398 10 0 BDAERO CC(C)[C@@](O)(C[NH3+])C(F)(F)Br ZINC000225661688 371563409 /nfs/dbraw/zinc/56/34/09/371563409.db2.gz JAORIUIVPSNWLK-YFKPBYRVSA-N 1 0 232.068 1.320 10 0 BDAERO [NH3+]CC1([C@H](O)c2cncs2)CCCC1 ZINC000161776509 371563547 /nfs/dbraw/zinc/56/35/47/371563547.db2.gz GQHVBBMEHPKHAE-SECBINFHSA-N 1 0 212.318 1.696 10 0 BDAERO C[NH2+]C[C@H]1CCCO[C@H]1c1nccs1 ZINC000161820873 371567186 /nfs/dbraw/zinc/56/71/86/371567186.db2.gz BOZLIBAIDQXFEK-RKDXNWHRSA-N 1 0 212.318 1.830 10 0 BDAERO C[C@@H]([NH3+])c1nnc([C@@H]2CO[C@H](C)C2)s1 ZINC000161856334 371573080 /nfs/dbraw/zinc/57/30/80/371573080.db2.gz FNRYEPDTAUCRFD-QYNIQEEDSA-N 1 0 213.306 1.450 10 0 BDAERO C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000161907356 371579487 /nfs/dbraw/zinc/57/94/87/371579487.db2.gz JUYMTRQQJSUZPN-LURJTMIESA-N 1 0 218.098 1.254 10 0 BDAERO Brc1ccc(C[C@@H]2CC[NH2+]C2)nc1 ZINC000161993479 371600159 /nfs/dbraw/zinc/60/01/59/371600159.db2.gz YQXNONVLZRIPDD-QMMMGPOBSA-N 1 0 241.132 1.996 10 0 BDAERO CSCc1nc2c(cccc2C[NH3+])[nH]1 ZINC000131472773 371608577 /nfs/dbraw/zinc/60/85/77/371608577.db2.gz BZRVWTWWHHIZOQ-UHFFFAOYSA-N 1 0 207.302 1.885 10 0 BDAERO Cn1ccnc1C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000226473994 371673177 /nfs/dbraw/zinc/67/31/77/371673177.db2.gz BCIAVEZNODVZML-IUCAKERBSA-N 1 0 207.277 1.120 10 0 BDAERO [NH3+]C[C@@H]1CSCCN1C1CCCC1 ZINC000215758051 371627014 /nfs/dbraw/zinc/62/70/14/371627014.db2.gz GZYJICFBOWLBKV-SNVBAGLBSA-N 1 0 200.351 1.305 10 0 BDAERO Nc1nc2cc3c(cc2s1)CC[NH2+]CC3 ZINC000095585346 181793286 /nfs/dbraw/zinc/79/32/86/181793286.db2.gz LHRPHLZKEFNWMU-UHFFFAOYSA-N 1 0 219.313 1.567 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N1CC[C@@H](C)C1 ZINC000226658184 371717281 /nfs/dbraw/zinc/71/72/81/371717281.db2.gz IGCUGPVNNCDINQ-OPRDCNLKSA-N 1 0 200.351 1.032 10 0 BDAERO O[C@]1(c2cc(F)ccc2Cl)CC[NH2+]C1 ZINC000162621637 371730487 /nfs/dbraw/zinc/73/04/87/371730487.db2.gz SCEBLWQBWVKCRS-SNVBAGLBSA-N 1 0 215.655 1.660 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)c1cncnc1 ZINC000226544761 371693505 /nfs/dbraw/zinc/69/35/05/371693505.db2.gz BKQIQTWJIOZOLN-SCZZXKLOSA-N 1 0 205.261 1.034 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1ccncc1Br ZINC000216547223 371766502 /nfs/dbraw/zinc/76/65/02/371766502.db2.gz IHVQYQXEVZACMA-XNCJUZBTSA-N 1 0 231.093 1.225 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1[S@@](=O)c1cccs1 ZINC000227020655 371768398 /nfs/dbraw/zinc/76/83/98/371768398.db2.gz HSRQOOJSYUYSPY-BFHDXFOESA-N 1 0 215.343 1.736 10 0 BDAERO CC(C)CC(=O)[C@@H]1C[N@H+](C)CCCN1C ZINC000132257055 371777167 /nfs/dbraw/zinc/77/71/67/371777167.db2.gz ZQZILVQVTCOTJV-NSHDSACASA-N 1 0 212.337 1.238 10 0 BDAERO Cc1nsc(N2CC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000227103758 371785758 /nfs/dbraw/zinc/78/57/58/371785758.db2.gz UUIIJQOQWBXSHA-XPUUQOCRSA-N 1 0 212.322 1.020 10 0 BDAERO C[C@@H]1CN[C@@]2(C[NH2+]C[C@@H](C)C2)SC1 ZINC000401692618 371800613 /nfs/dbraw/zinc/80/06/13/371800613.db2.gz HRMPUUBTTWWJAV-IVZWLZJFSA-N 1 0 200.351 1.285 10 0 BDAERO CCOC[C@@](C)(CO)[NH2+]Cc1ccccc1 ZINC000230078420 371824931 /nfs/dbraw/zinc/82/49/31/371824931.db2.gz ARLQWPBXZOXVOW-CYBMUJFWSA-N 1 0 223.316 1.564 10 0 BDAERO CC(=O)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227409013 371856461 /nfs/dbraw/zinc/85/64/61/371856461.db2.gz HZFUBBKKQCFBQD-JQWIXIFHSA-N 1 0 210.321 1.134 10 0 BDAERO C=CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227410198 371856548 /nfs/dbraw/zinc/85/65/48/371856548.db2.gz QOJVNBHQXKPNHP-QWRGUYRKSA-N 1 0 208.305 1.258 10 0 BDAERO [NH3+][C@H]1CN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000227618936 371906127 /nfs/dbraw/zinc/90/61/27/371906127.db2.gz SKAYHEDZOCXWIK-QMMMGPOBSA-N 1 0 231.082 1.667 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2ccnc(F)c2)C1 ZINC000227643761 371912987 /nfs/dbraw/zinc/91/29/87/371912987.db2.gz BSLZQVWCGKERCA-SNVBAGLBSA-N 1 0 209.268 1.361 10 0 BDAERO [NH3+][C@H]1CCC[C@H](CNc2nncs2)C1 ZINC000227666464 371918362 /nfs/dbraw/zinc/91/83/62/371918362.db2.gz RXWDALBBEFFWIT-YUMQZZPRSA-N 1 0 212.322 1.468 10 0 BDAERO CC[C@@H]([NH3+])c1c(Br)cnn1C ZINC000163281441 371966440 /nfs/dbraw/zinc/96/64/40/371966440.db2.gz IWAYBHNJMMNZLT-ZCFIWIBFSA-N 1 0 218.098 1.592 10 0 BDAERO [NH3+]C[C@H](Nc1ncncc1Cl)C1CC1 ZINC000163687063 372031108 /nfs/dbraw/zinc/03/11/08/372031108.db2.gz OXPMJBSWGVZBHH-QMMMGPOBSA-N 1 0 212.684 1.279 10 0 BDAERO COC(C)(C)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000306339343 372011118 /nfs/dbraw/zinc/01/11/18/372011118.db2.gz JZDZIWLZCFIZFD-SECBINFHSA-N 1 0 201.310 1.257 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)NCc1ccccc1 ZINC000306800108 372069100 /nfs/dbraw/zinc/06/91/00/372069100.db2.gz NWZLYUKETASOEF-DGCLKSJQSA-N 1 0 247.342 1.708 10 0 BDAERO C[NH2+]CCOCCCOCc1ccccc1 ZINC000306885731 372075132 /nfs/dbraw/zinc/07/51/32/372075132.db2.gz OCSCDBIMNYZHQX-UHFFFAOYSA-N 1 0 223.316 1.829 10 0 BDAERO C[C@H]1SC(N[C@@]2(C)CCOC2)=[NH+][C@H]1C ZINC000307014126 372085257 /nfs/dbraw/zinc/08/52/57/372085257.db2.gz MMDQDSWXAPIJNT-XKSSXDPKSA-N 1 0 214.334 1.635 10 0 BDAERO C[C@@H]([NH2+][C@H]1CNC(=O)C1)c1ccsc1 ZINC000228942339 372090856 /nfs/dbraw/zinc/09/08/56/372090856.db2.gz HKDNUUUCRFPDFL-VXNVDRBHSA-N 1 0 210.302 1.287 10 0 BDAERO C[C@@H]1CCC[C@H]([S@](=O)C2C[NH2+]C2)C1 ZINC000307183693 372093946 /nfs/dbraw/zinc/09/39/46/372093946.db2.gz YTDDHZJCUAIEQG-ZDMBXUJBSA-N 1 0 201.335 1.286 10 0 BDAERO CCC[N@@H+]1CC[C@]2(C1)NCCCS2 ZINC000307250137 372101787 /nfs/dbraw/zinc/10/17/87/372101787.db2.gz LCCMQDNRIYBSDX-JTQLQIEISA-N 1 0 200.351 1.525 10 0 BDAERO [NH3+]C1CN(Cc2cscc2Br)C1 ZINC000307634365 372133760 /nfs/dbraw/zinc/13/37/60/372133760.db2.gz SQXLIKZKZQLFAM-UHFFFAOYSA-N 1 0 247.161 1.654 10 0 BDAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCCC2(C1)OCCO2 ZINC000134049262 372151547 /nfs/dbraw/zinc/15/15/47/372151547.db2.gz SICHUVJFTQUVIB-RYUDHWBXSA-N 1 0 241.331 1.129 10 0 BDAERO CSC1([C@@H](O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000307592456 372130286 /nfs/dbraw/zinc/13/02/86/372130286.db2.gz FBGYNDDSUKTGNU-UWVGGRQHSA-N 1 0 215.362 1.775 10 0 BDAERO O=C(CC[NH2+]C1CC1)Nc1cccc2n[nH]cc21 ZINC000037769620 181917932 /nfs/dbraw/zinc/91/79/32/181917932.db2.gz ZQSYZXZPIXGWOC-UHFFFAOYSA-N 1 0 244.298 1.644 10 0 BDAERO O=C(CC[NH2+]C1CC1)c1ccc2c(c1)OCCO2 ZINC000049835171 181919306 /nfs/dbraw/zinc/91/93/06/181919306.db2.gz SWYYNCTXUSDPKN-UHFFFAOYSA-N 1 0 247.294 1.783 10 0 BDAERO COc1cc2c(c(OC)c1)CC[N+](C)=C2 ZINC000008535781 372753049 /nfs/dbraw/zinc/75/30/49/372753049.db2.gz WVVJVPSZVSKMFA-UHFFFAOYSA-N 1 0 206.265 1.321 10 0 BDAERO COc1ccccc1[C@H]([NH3+])Cn1ccnc1C ZINC000038860309 372795259 /nfs/dbraw/zinc/79/52/59/372795259.db2.gz CGJUOFHEKORRGX-GFCCVEGCSA-N 1 0 231.299 1.900 10 0 BDAERO [NH3+][C@@H](Cn1ccnc1)c1ccc2c(c1)OCO2 ZINC000038827560 372782922 /nfs/dbraw/zinc/78/29/22/372782922.db2.gz GRRQYLNXNLVXJM-JTQLQIEISA-N 1 0 231.255 1.312 10 0 BDAERO C[C@H]1C[N@H+](CC2CCOCC2)CCS1 ZINC000171828341 372786313 /nfs/dbraw/zinc/78/63/13/372786313.db2.gz MAQHNPNJIJEKAY-JTQLQIEISA-N 1 0 215.362 1.850 10 0 BDAERO O=C(C[C@@H]1CCCC[NH2+]1)NCC1CCOCC1 ZINC000104190465 182016784 /nfs/dbraw/zinc/01/67/84/182016784.db2.gz KWGKGVPWBVCXGR-LBPRGKRZSA-N 1 0 240.347 1.061 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1cccnc1Cl ZINC000042166783 182018267 /nfs/dbraw/zinc/01/82/67/182018267.db2.gz CEXCTLQYJGAAHV-QMMMGPOBSA-N 1 0 239.706 1.816 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccco1 ZINC000054305473 182019145 /nfs/dbraw/zinc/01/91/45/182019145.db2.gz XWWDEUGGJHIRPU-JTQLQIEISA-N 1 0 222.288 1.286 10 0 BDAERO O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCC[NH2+]CC1 ZINC000019397100 182022862 /nfs/dbraw/zinc/02/28/62/182022862.db2.gz AKUSDAYZYKBGBI-XQQFMLRXSA-N 1 0 236.359 1.635 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]1)Nc1cccnc1Cl ZINC000042166784 182028462 /nfs/dbraw/zinc/02/84/62/182028462.db2.gz CEXCTLQYJGAAHV-MRVPVSSYSA-N 1 0 239.706 1.816 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(CO)c1 ZINC000054307095 182028910 /nfs/dbraw/zinc/02/89/10/182028910.db2.gz HZZZYYXZYKKGRQ-LLVKDONJSA-N 1 0 248.326 1.507 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccco1 ZINC000054305475 182028912 /nfs/dbraw/zinc/02/89/12/182028912.db2.gz XWWDEUGGJHIRPU-SNVBAGLBSA-N 1 0 222.288 1.286 10 0 BDAERO O[C@H]1C[NH2+]C[C@H]1Oc1ccc(Cl)cc1 ZINC000039599247 372999251 /nfs/dbraw/zinc/99/92/51/372999251.db2.gz JJBVQZMGJOHVOD-VHSXEESVSA-N 1 0 213.664 1.052 10 0 BDAERO O=C(Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000041234686 182045211 /nfs/dbraw/zinc/04/52/11/182045211.db2.gz CNAWBPZCSQNTFY-LLVKDONJSA-N 1 0 221.275 1.937 10 0 BDAERO Cn1nccc1[C@@H]([NH3+])Cc1cccs1 ZINC000069021495 373107645 /nfs/dbraw/zinc/10/76/45/373107645.db2.gz WKAZCXSPWSZNRN-VIFPVBQESA-N 1 0 207.302 1.724 10 0 BDAERO O=C(NC1CC1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019802726 182098338 /nfs/dbraw/zinc/09/83/38/182098338.db2.gz ODGUWYZSHBASFE-INTQDDNPSA-N 1 0 208.305 1.186 10 0 BDAERO O=C(NC1C[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000090289176 182119477 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1.023 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)c1c(F)cccc1F ZINC000037871918 183178273 /nfs/dbraw/zinc/17/82/73/183178273.db2.gz ZZFKYZBTYSKHKL-JTQLQIEISA-N 1 0 213.227 1.750 10 0 BDAERO CCCN(C(=O)c1cn[nH]c1)C1CC[NH2+]CC1 ZINC000037537762 169047871 /nfs/dbraw/zinc/04/78/71/169047871.db2.gz IMLLOHVCVPOKOP-UHFFFAOYSA-N 1 0 236.319 1.014 10 0 BDAERO O[C@@H](C[NH2+]Cc1cn2ccccc2n1)C1CC1 ZINC000071305240 183180558 /nfs/dbraw/zinc/18/05/58/183180558.db2.gz OGECETCZLVOUIC-LBPRGKRZSA-N 1 0 231.299 1.195 10 0 BDAERO O[C@@H](CNc1ccccn1)C[NH+]1CCCCC1 ZINC000038592722 183182625 /nfs/dbraw/zinc/18/26/25/183182625.db2.gz DWTDRXRKVNGCIC-LBPRGKRZSA-N 1 0 235.331 1.340 10 0 BDAERO O[C@@H](c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000032012157 183184170 /nfs/dbraw/zinc/18/41/70/183184170.db2.gz AVPGEEKLECYXEB-JQWIXIFHSA-N 1 0 209.264 1.859 10 0 BDAERO OCc1ncc2n1CCN(Cc1ccccc1)C2 ZINC000089195617 183170990 /nfs/dbraw/zinc/17/09/90/183170990.db2.gz XIOXGCHNPWNASO-UHFFFAOYSA-N 1 0 243.310 1.391 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000037690195 183196860 /nfs/dbraw/zinc/19/68/60/183196860.db2.gz YRCKTERWFGNNBI-CHWSQXEVSA-N 1 0 223.291 1.871 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000037164821 183197038 /nfs/dbraw/zinc/19/70/38/183197038.db2.gz NPNLCFRPMZTYJI-NWDGAFQWSA-N 1 0 206.289 1.475 10 0 BDAERO O[C@@H]1CC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000307303449 183197999 /nfs/dbraw/zinc/19/79/99/183197999.db2.gz BVNXALVHEFCIGI-DTWKUNHWSA-N 1 0 205.248 1.488 10 0 BDAERO O[C@H]1CC[C@H]([NH2+]Cc2ccncc2)CC1 ZINC000100280004 183202613 /nfs/dbraw/zinc/20/26/13/183202613.db2.gz NVCWAVIPDGWKJE-TXEJJXNPSA-N 1 0 206.289 1.475 10 0 BDAERO O[C@@H]1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000307610724 183205102 /nfs/dbraw/zinc/20/51/02/183205102.db2.gz FXTPAIRXUQMXQG-KXUCPTDWSA-N 1 0 201.335 1.243 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000038059358 183190801 /nfs/dbraw/zinc/19/08/01/183190801.db2.gz WMOBWENVSPAYPT-VXGBXAGGSA-N 1 0 209.289 1.715 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000037164818 183195359 /nfs/dbraw/zinc/19/53/59/183195359.db2.gz NPNLCFRPMZTYJI-VXGBXAGGSA-N 1 0 206.289 1.475 10 0 BDAERO CCC[N@H+](C)C[C@H](O)c1cccc(N)c1 ZINC000001846904 169079056 /nfs/dbraw/zinc/07/90/56/169079056.db2.gz GGRSNVCPKUTJON-LBPRGKRZSA-N 1 0 208.305 1.644 10 0 BDAERO O[C@H](CCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000071521966 183220473 /nfs/dbraw/zinc/22/04/73/183220473.db2.gz DYSCYQZQXFKBRE-ZIAGYGMSSA-N 1 0 219.328 1.980 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000054126919 183231054 /nfs/dbraw/zinc/23/10/54/183231054.db2.gz OWQXDIMTOXFOCO-STQMWFEESA-N 1 0 226.364 1.365 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000049575087 183231432 /nfs/dbraw/zinc/23/14/32/183231432.db2.gz MWVJBBIPPPNWED-KBPBESRZSA-N 1 0 240.391 1.756 10 0 BDAERO O[C@H](c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000032012155 183228135 /nfs/dbraw/zinc/22/81/35/183228135.db2.gz AVPGEEKLECYXEB-ZYHUDNBSSA-N 1 0 209.264 1.859 10 0 BDAERO O[C@H](c1ccc2c(c1)OCCCO2)[C@H]1CCC[NH2+]1 ZINC000036172014 183229544 /nfs/dbraw/zinc/22/95/44/183229544.db2.gz JBBBADHXDBJFKK-BXUZGUMPSA-N 1 0 249.310 1.633 10 0 BDAERO O[C@@H]1C[NH2+]C[C@@H]1Oc1ccc2ccccc2c1 ZINC000104230984 183209067 /nfs/dbraw/zinc/20/90/67/183209067.db2.gz KDSJFAXCOUQIDW-KGLIPLIRSA-N 1 0 229.279 1.551 10 0 BDAERO O[C@@H]1COC[C@H]1[NH2+]CCC1CCCCC1 ZINC000037741784 183210850 /nfs/dbraw/zinc/21/08/50/183210850.db2.gz PCJDOPPGZQCGBV-VXGBXAGGSA-N 1 0 213.321 1.306 10 0 BDAERO CCC[N@H+](CC(=O)NC)[C@@H](C)c1cccc(N)c1 ZINC000042403608 169096958 /nfs/dbraw/zinc/09/69/58/169096958.db2.gz SHZZRGFKNZEWJL-NSHDSACASA-N 1 0 249.358 1.788 10 0 BDAERO O[C@H]1CC[NH2+]C[C@@H]1Cc1ccc(Cl)cc1 ZINC000071532594 183240978 /nfs/dbraw/zinc/24/09/78/183240978.db2.gz SFTBSHONMMDZSN-JQWIXIFHSA-N 1 0 225.719 1.853 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000037490747 183232862 /nfs/dbraw/zinc/23/28/62/183232862.db2.gz SJSVKMPIYVXGHR-OLZOCXBDSA-N 1 0 220.316 1.517 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(n2ccnc2)CC1 ZINC000121203808 183232909 /nfs/dbraw/zinc/23/29/09/183232909.db2.gz JOGYKNDUOBABNJ-KGLIPLIRSA-N 1 0 249.358 1.824 10 0 BDAERO O[C@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000037689911 183236783 /nfs/dbraw/zinc/23/67/83/183236783.db2.gz CXCUVHCZPOSFHA-QWRGUYRKSA-N 1 0 211.330 1.794 10 0 BDAERO O[C@H]1CCC[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000124786236 183236858 /nfs/dbraw/zinc/23/68/58/183236858.db2.gz KJIOXBPMGTWXQP-NEPJUHHUSA-N 1 0 211.305 1.084 10 0 BDAERO CCCN(CCC)c1c(CC[NH3+])c(C)nn1C ZINC000104275993 169152435 /nfs/dbraw/zinc/15/24/35/169152435.db2.gz FRPXDPRMXGHMTE-UHFFFAOYSA-N 1 0 238.379 1.856 10 0 BDAERO Oc1ccc(CC[NH2+]Cc2ccncn2)cc1 ZINC000054789763 183269270 /nfs/dbraw/zinc/26/92/70/183269270.db2.gz VXPUMSNKYJIQLE-UHFFFAOYSA-N 1 0 229.283 1.515 10 0 BDAERO Oc1ccc2c(c1)CC[C@]1(CC[NH2+]C1)O2 ZINC000036142061 183280343 /nfs/dbraw/zinc/28/03/43/183280343.db2.gz KBXUWFVJZYGQOF-GFCCVEGCSA-N 1 0 205.257 1.449 10 0 BDAERO CCCN(CC[NH3+])[C@@H](C)C(=O)N1CCCCC1 ZINC000041160723 169158564 /nfs/dbraw/zinc/15/85/64/169158564.db2.gz NAYWENIBPJQQRD-LBPRGKRZSA-N 1 0 241.379 1.058 10 0 BDAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCn1cncn1 ZINC000294256441 183296103 /nfs/dbraw/zinc/29/61/03/183296103.db2.gz QMGBTOWWEGOIDY-LBPRGKRZSA-N 1 0 244.298 1.261 10 0 BDAERO Oc1cccnc1OC[C@H]1CCCC[NH2+]1 ZINC000095073843 183304940 /nfs/dbraw/zinc/30/49/40/183304940.db2.gz CZVCMMZCNCUULG-SECBINFHSA-N 1 0 208.261 1.308 10 0 BDAERO c1c(C2CC[NH2+]CC2)nc2n1CCCC2 ZINC000082931197 183321882 /nfs/dbraw/zinc/32/18/82/183321882.db2.gz DJTVLIDTMWWCHB-UHFFFAOYSA-N 1 0 205.305 1.686 10 0 BDAERO CCC[N@@H+]1CCCN(c2cc(C)ncn2)CC1 ZINC000301302941 169192788 /nfs/dbraw/zinc/19/27/88/169192788.db2.gz WEOLONAEQPEWRO-UHFFFAOYSA-N 1 0 234.347 1.707 10 0 BDAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCC(=O)[O-])C1 ZINC000037222241 169198760 /nfs/dbraw/zinc/19/87/60/169198760.db2.gz SAZNNVFHJMBVBI-NEPJUHHUSA-N 1 0 242.363 1.561 10 0 BDAERO CCC[NH+]1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000022171445 169202649 /nfs/dbraw/zinc/20/26/49/169202649.db2.gz QIQQUTIOVMSLID-UHFFFAOYSA-N 1 0 247.386 1.673 10 0 BDAERO S=C1Nc2ccccc2CN1C[C@H]1CCC[NH2+]1 ZINC000095078936 183313190 /nfs/dbraw/zinc/31/31/90/183313190.db2.gz NJQIZMPHHTVXHB-LLVKDONJSA-N 1 0 247.367 1.951 10 0 BDAERO c1cc(CCCCCN2CC[NH2+]CC2)c[nH]1 ZINC000107287014 183336629 /nfs/dbraw/zinc/33/66/29/183336629.db2.gz LDACHFGDSGRDCO-UHFFFAOYSA-N 1 0 221.348 1.633 10 0 BDAERO c1cc(CCN2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000247164953 183337296 /nfs/dbraw/zinc/33/72/96/183337296.db2.gz MNIJJWLKRYCOLT-AWEZNQCLSA-N 1 0 231.343 1.404 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1cccc(C)c1 ZINC000057524353 169232359 /nfs/dbraw/zinc/23/23/59/169232359.db2.gz GOQAPWXJFBJHPX-ZDUSSCGKSA-N 1 0 234.343 1.954 10 0 BDAERO CCC[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105893681 169205919 /nfs/dbraw/zinc/20/59/19/169205919.db2.gz UMPIFANWTDHUKL-CYBMUJFWSA-N 1 0 237.347 1.611 10 0 BDAERO CCC[NH2+]CC(=O)N1CCC(C)(C)CC1 ZINC000061821025 169255178 /nfs/dbraw/zinc/25/51/78/169255178.db2.gz NBTPPAQEJHELOM-UHFFFAOYSA-N 1 0 212.337 1.635 10 0 BDAERO CCC[NH2+]C1CCN(C(=O)NC2CC2)CC1 ZINC000054456680 169255625 /nfs/dbraw/zinc/25/56/25/169255625.db2.gz INXUQLNWMGHVJD-UHFFFAOYSA-N 1 0 225.336 1.322 10 0 BDAERO CCC[NH2+]CC(=O)c1ccc(OC)cc1OC ZINC000049828700 169255952 /nfs/dbraw/zinc/25/59/52/169255952.db2.gz IRSMRIGEXOZSJG-UHFFFAOYSA-N 1 0 237.299 1.886 10 0 BDAERO c1cc(-c2nc3c([nH]2)C[NH2+]CC3)cc2c1OCO2 ZINC000075182923 183367168 /nfs/dbraw/zinc/36/71/68/183367168.db2.gz YHSBGJXTFZQQBJ-UHFFFAOYSA-N 1 0 243.266 1.451 10 0 BDAERO c1cc2c(cc1CC[C@H]1COCC[NH2+]1)OCCO2 ZINC000071564160 183368355 /nfs/dbraw/zinc/36/83/55/183368355.db2.gz QKHCUUAQMYNCFW-LBPRGKRZSA-N 1 0 249.310 1.379 10 0 BDAERO CCC[NH2+]CCNc1ccc2c(c1)OCO2 ZINC000049477973 169260373 /nfs/dbraw/zinc/26/03/73/169260373.db2.gz DVLYFSSNELEQHD-UHFFFAOYSA-N 1 0 222.288 1.827 10 0 BDAERO CCC[NH2+]CCNc1ncccc1C(=O)OC ZINC000054267401 169260593 /nfs/dbraw/zinc/26/05/93/169260593.db2.gz OERQRHJJQTUFAI-UHFFFAOYSA-N 1 0 237.303 1.280 10 0 BDAERO c1cc(C[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000070627891 183369718 /nfs/dbraw/zinc/36/97/18/183369718.db2.gz QZSBPGZVEQWFSG-LLVKDONJSA-N 1 0 203.285 1.774 10 0 BDAERO c1cc2c(cc1C[C@@H]1CC[NH2+]C1)OCCCO2 ZINC000077366352 183369726 /nfs/dbraw/zinc/36/97/26/183369726.db2.gz HMPCIUPIXXEZKU-LBPRGKRZSA-N 1 0 233.311 2.000 10 0 BDAERO CCC[NH2+]CC[C@@H](O)c1cccc(N)c1 ZINC000098123905 169260927 /nfs/dbraw/zinc/26/09/27/169260927.db2.gz NLZXVELPHGEWKI-GFCCVEGCSA-N 1 0 208.305 1.692 10 0 BDAERO c1cc(NC[C@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000041233939 183369816 /nfs/dbraw/zinc/36/98/16/183369816.db2.gz SJRADPRXOVVXPH-SNVBAGLBSA-N 1 0 220.272 1.579 10 0 BDAERO c1cc([C@@H]2C[NH2+]CCO2)cc2c1OCO2 ZINC000011803072 183370782 /nfs/dbraw/zinc/37/07/82/183370782.db2.gz XZGOKSASMPEZCS-NSHDSACASA-N 1 0 207.229 1.076 10 0 BDAERO c1nc(-c2ccccc2)cn1C1=[NH+]CCN1 ZINC000005286442 183381172 /nfs/dbraw/zinc/38/11/72/183381172.db2.gz SYDSZZSQARJESJ-UHFFFAOYSA-N 1 0 212.256 1.357 10 0 BDAERO CCCNC(=O)[C@H](CC[NH3+])c1ccccc1F ZINC000076620300 169248363 /nfs/dbraw/zinc/24/83/63/169248363.db2.gz JPTWWLVMCRVXIN-LLVKDONJSA-N 1 0 238.306 1.784 10 0 BDAERO c1ccc(-c2nnc(N3CC[NH2+]CC3)s2)cc1 ZINC000031978347 183384210 /nfs/dbraw/zinc/38/42/10/183384210.db2.gz MWQKAYHJRHGQRC-UHFFFAOYSA-N 1 0 246.339 1.615 10 0 BDAERO c1cnn(-c2ccccc2C[NH2+]C2COC2)c1 ZINC000104347473 183386215 /nfs/dbraw/zinc/38/62/15/183386215.db2.gz ZRDDNEXPBBIAPM-UHFFFAOYSA-N 1 0 229.283 1.361 10 0 BDAERO CCC[NH2+][C@@](C)(CCCOC1CCC1)C(N)=O ZINC000050521665 169284176 /nfs/dbraw/zinc/28/41/76/169284176.db2.gz MZJIGMRNCIFPNC-ZDUSSCGKSA-N 1 0 242.363 1.579 10 0 BDAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1CCC(N)=O ZINC000104429868 169286811 /nfs/dbraw/zinc/28/68/11/169286811.db2.gz IGXKETUWWHBZQL-VXGBXAGGSA-N 1 0 241.379 1.104 10 0 BDAERO CCC[NH2+][C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000036852919 169290723 /nfs/dbraw/zinc/29/07/23/169290723.db2.gz RBGYKSRLGMLAHU-JTQLQIEISA-N 1 0 224.304 1.056 10 0 BDAERO CCC[NH2+][C@H](CC[N@H+](C)[C@@H](C)C(C)C)C(=O)[O-] ZINC000062449114 169289138 /nfs/dbraw/zinc/28/91/38/169289138.db2.gz HWAQYTQQQKXBHO-NWDGAFQWSA-N 1 0 244.379 1.806 10 0 BDAERO CCC[NH2+][C@H](CC[N@H+](C)CC1CCC1)C(=O)[O-] ZINC000062532409 169289316 /nfs/dbraw/zinc/28/93/16/169289316.db2.gz TWAUZHFWMRIXMN-GFCCVEGCSA-N 1 0 242.363 1.561 10 0 BDAERO CCC[NH2+][C@H](COC)c1nccs1 ZINC000045206250 169289404 /nfs/dbraw/zinc/28/94/04/169289404.db2.gz XHIFXYJFZICCBW-MRVPVSSYSA-N 1 0 200.307 1.830 10 0 BDAERO c1ccc(CC[NH2+]C[C@H]2CCOC2)nc1 ZINC000019916854 183393821 /nfs/dbraw/zinc/39/38/21/183393821.db2.gz QJTXTUSJDCXMJR-LLVKDONJSA-N 1 0 206.289 1.250 10 0 BDAERO c1ccc(CCOCC[NH2+]C2CC2)cc1 ZINC000044099329 183394739 /nfs/dbraw/zinc/39/47/39/183394739.db2.gz JRVLIBYZIKHWER-UHFFFAOYSA-N 1 0 205.301 1.998 10 0 BDAERO CCC[NH2+]Cc1ccc(S(=O)(=O)CC)cc1 ZINC000096890954 169267807 /nfs/dbraw/zinc/26/78/07/169267807.db2.gz AEWZSQVDHAHNBW-UHFFFAOYSA-N 1 0 241.356 1.980 10 0 BDAERO c1ccc(CC[NH2+][C@@H]2CCN3CCC[C@H]23)nc1 ZINC000049567823 183394875 /nfs/dbraw/zinc/39/48/75/183394875.db2.gz TWPLDYSMDOECOQ-ZIAGYGMSSA-N 1 0 231.343 1.450 10 0 BDAERO CCC[NH2+]Cc1ccnc(O[C@@H]2CCOC2)c1 ZINC000104102843 169268409 /nfs/dbraw/zinc/26/84/09/169268409.db2.gz SLOBAZMZZSADMI-GFCCVEGCSA-N 1 0 236.315 1.749 10 0 BDAERO CCC[NH2+]Cc1nnnn1-c1ccc(F)cc1C ZINC000054744920 169268820 /nfs/dbraw/zinc/26/88/20/169268820.db2.gz MDRMACFDAMWYBN-UHFFFAOYSA-N 1 0 249.293 1.609 10 0 BDAERO CCC[NH2+][C@@H]1CCC[C@H]1N1CCCOCC1 ZINC000061918073 169281944 /nfs/dbraw/zinc/28/19/44/169281944.db2.gz HABKTABWWIIDAM-CHWSQXEVSA-N 1 0 226.364 1.629 10 0 BDAERO CCC[NH2+][C@@H]1CCC[C@H]1OCCCOC ZINC000044107648 169281975 /nfs/dbraw/zinc/28/19/75/169281975.db2.gz QGVWTTGDGUNWHK-VXGBXAGGSA-N 1 0 215.337 1.960 10 0 BDAERO CCC[NH2+][C@@H]1CCN(C(C2CC2)C2CC2)C1=O ZINC000049649240 169282468 /nfs/dbraw/zinc/28/24/68/169282468.db2.gz FJAIMNCUSZGEGC-GFCCVEGCSA-N 1 0 236.359 1.776 10 0 BDAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccccn2)C1=O ZINC000049648727 169283219 /nfs/dbraw/zinc/28/32/19/169283219.db2.gz LDJSJDLSUXFFSZ-WCQYABFASA-N 1 0 247.342 1.743 10 0 BDAERO CCC[NH2+][C@@H]1CCN([C@H](C)[C@@H]2CCCO2)C1=O ZINC000049648175 169283283 /nfs/dbraw/zinc/28/32/83/169283283.db2.gz GQNDLQFNEWPJAI-UTUOFQBUSA-N 1 0 240.347 1.154 10 0 BDAERO CCC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000049647623 169283388 /nfs/dbraw/zinc/28/33/88/169283388.db2.gz YSOVQQDITCEXQX-GFCCVEGCSA-N 1 0 236.290 1.931 10 0 BDAERO CCCOC(=O)c1ccc(CC[NH3+])cc1 ZINC000019722326 169300506 /nfs/dbraw/zinc/30/05/06/169300506.db2.gz QDFUGBCZOMESIX-UHFFFAOYSA-N 1 0 207.273 1.755 10 0 BDAERO CCCOCCC(=O)NC1(C[NH3+])CCCCC1 ZINC000104319401 169309039 /nfs/dbraw/zinc/30/90/39/169309039.db2.gz MMRXJOLIPQFFEX-UHFFFAOYSA-N 1 0 242.363 1.581 10 0 BDAERO CCCOCCO[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000104245962 169310122 /nfs/dbraw/zinc/31/01/22/169310122.db2.gz UTOHREITZQRGER-AAEUAGOBSA-N 1 0 238.331 1.913 10 0 BDAERO CCCOc1c(OC)cccc1[C@@H]([NH3+])CO ZINC000041245803 169314132 /nfs/dbraw/zinc/31/41/32/169314132.db2.gz ZEPJTSGIZHAKPC-JTQLQIEISA-N 1 0 225.288 1.476 10 0 BDAERO CCC[NH2+][C@H]1CCN(Cc2cccnc2)C1=O ZINC000049648601 169292072 /nfs/dbraw/zinc/29/20/72/169292072.db2.gz LSNJPKOMKDUUTB-LBPRGKRZSA-N 1 0 233.315 1.182 10 0 BDAERO CCC[C@@H](C(=O)NCCCOC(C)C)[NH+](C)C ZINC000124703039 169343835 /nfs/dbraw/zinc/34/38/35/169343835.db2.gz GEPFIMGWHWYLEX-LBPRGKRZSA-N 1 0 244.379 1.648 10 0 BDAERO CCCOc1ccc(OC[C@@H](O)C[NH2+]C)cc1 ZINC000034957289 169320986 /nfs/dbraw/zinc/32/09/86/169320986.db2.gz HOBPVYKOUPKMSJ-NSHDSACASA-N 1 0 239.315 1.435 10 0 BDAERO CCCOc1ccc(OC[C@H](O)C[NH3+])cc1 ZINC000034957290 169321056 /nfs/dbraw/zinc/32/10/56/169321056.db2.gz VGONYGOUUQLEOY-SNVBAGLBSA-N 1 0 225.288 1.174 10 0 BDAERO CCCOc1cccc2[nH+]c(N)nc(N)c21 ZINC000005883292 169326914 /nfs/dbraw/zinc/32/69/14/169326914.db2.gz RKHSZJNEQHZFKC-UHFFFAOYSA-N 1 0 218.260 1.583 10 0 BDAERO CCCOc1cccn2c(C[NH3+])cnc12 ZINC000036223980 169328215 /nfs/dbraw/zinc/32/82/15/169328215.db2.gz RGCRGXYHVAHGCD-UHFFFAOYSA-N 1 0 205.261 1.582 10 0 BDAERO CCCS(=O)(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000019262351 169333921 /nfs/dbraw/zinc/33/39/21/169333921.db2.gz CRDUIKCDDBGMML-SECBINFHSA-N 1 0 242.344 1.858 10 0 BDAERO CCC[C@@H](C)NC(=O)CN(CC)C[C@@H](C)C[NH3+] ZINC000042443266 169367190 /nfs/dbraw/zinc/36/71/90/169367190.db2.gz FMQQWKZGURGNIC-NWDGAFQWSA-N 1 0 243.395 1.208 10 0 BDAERO c1cnc2[nH]c(NC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092616 183487033 /nfs/dbraw/zinc/48/70/33/183487033.db2.gz VUFLYSGKHSKJDF-VIFPVBQESA-N 1 0 231.303 1.369 10 0 BDAERO CCC[C@@H](C(=O)NCc1ccc[nH]1)[NH+](C)C ZINC000122190957 169345555 /nfs/dbraw/zinc/34/55/55/169345555.db2.gz PRCVSEBSCFIHBG-NSHDSACASA-N 1 0 223.320 1.361 10 0 BDAERO c1nn2ccccc2c1C[NH2+]CC[C@@H]1CCCO1 ZINC000071373184 183466426 /nfs/dbraw/zinc/46/64/26/183466426.db2.gz KZBAIJSTRDJSIM-ZDUSSCGKSA-N 1 0 245.326 1.993 10 0 BDAERO c1cn2c(cn1)nnc2[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000035452423 183472371 /nfs/dbraw/zinc/47/23/71/183472371.db2.gz AHIWCJWAZZHCRD-VWYCJHECSA-N 1 0 243.314 1.718 10 0 BDAERO CCC[C@@H](CN)[N@@H+]1CCCSCC1 ZINC000042443530 169383902 /nfs/dbraw/zinc/38/39/02/169383902.db2.gz YPNFPCCIVSSWTJ-JTQLQIEISA-N 1 0 202.367 1.553 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCc2occc21 ZINC000040831851 169390158 /nfs/dbraw/zinc/39/01/58/169390158.db2.gz GEUPTWHNKGRGDX-GHMZBOCLSA-N 1 0 236.315 1.901 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N(CCOC)[C@H](C)C1CC1 ZINC000037814772 169388596 /nfs/dbraw/zinc/38/85/96/169388596.db2.gz INRIMGMCUBIIHI-ZYHUDNBSSA-N 1 0 242.363 1.387 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NCCc1cccc(O)c1 ZINC000182100340 169388896 /nfs/dbraw/zinc/38/88/96/169388896.db2.gz BVEFSRBUGPQJTE-GFCCVEGCSA-N 1 0 236.315 1.178 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000037005198 169390327 /nfs/dbraw/zinc/39/03/27/169390327.db2.gz LLRDGNBQHCYXEA-JOYOIKCWSA-N 1 0 236.315 1.697 10 0 BDAERO CCC[C@@H]([NH3+])[C@H](CC)N(C)Cc1nccn1C ZINC000062251017 169392801 /nfs/dbraw/zinc/39/28/01/169392801.db2.gz FJIZKNRRRIHHHJ-NEPJUHHUSA-N 1 0 238.379 1.758 10 0 BDAERO CCC[C@@H]([NH3+])CN1CCOCC1(C)C ZINC000042463182 169393226 /nfs/dbraw/zinc/39/32/26/169393226.db2.gz WUBPAHXNHFAMTJ-SNVBAGLBSA-N 1 0 200.326 1.225 10 0 BDAERO CCC[C@@H]([NH2+]C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000035488425 169399287 /nfs/dbraw/zinc/39/92/87/169399287.db2.gz UNGUQKZHUPEFRE-SECBINFHSA-N 1 0 219.288 1.917 10 0 BDAERO CCC[C@H](C(=O)N[C@@H](CO)CC(C)C)[NH+](C)C ZINC000179986883 134325240 /nfs/dbraw/zinc/32/52/40/134325240.db2.gz BNWXEFVAKQGNJO-VXGBXAGGSA-N 1 0 244.379 1.240 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](O)COC ZINC000310042414 169417362 /nfs/dbraw/zinc/41/73/62/169417362.db2.gz ZJIPSWGTMPUNAH-AGIUHOORSA-N 1 0 229.364 1.942 10 0 BDAERO c1nc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000051359654 183528250 /nfs/dbraw/zinc/52/82/50/183528250.db2.gz JGJYQIQYWQEGCC-NWDGAFQWSA-N 1 0 237.372 1.860 10 0 BDAERO c1nnc([C@@H]2CCC[NH2+]C2)n1C1CCCC1 ZINC000054526437 183551874 /nfs/dbraw/zinc/55/18/74/183551874.db2.gz USRVFJSJCQJTCM-SNVBAGLBSA-N 1 0 220.320 1.860 10 0 BDAERO CCC[C@H](C)NC(=O)COCCC[NH2+]C(C)C ZINC000051864026 169492679 /nfs/dbraw/zinc/49/26/79/169492679.db2.gz BMXRMWWEQMJLRD-LBPRGKRZSA-N 1 0 244.379 1.696 10 0 BDAERO CCC[C@H](C[NH3+])C(=O)NCc1cccc(C)n1 ZINC000051575877 169498433 /nfs/dbraw/zinc/49/84/33/169498433.db2.gz PNXFDYRMOPHOEW-LLVKDONJSA-N 1 0 235.331 1.381 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000182648566 134346764 /nfs/dbraw/zinc/34/67/64/134346764.db2.gz DPCDOJMOVDWYAD-MRVPVSSYSA-N 1 0 230.271 1.362 10 0 BDAERO CCCc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1 ZINC000035679545 169571827 /nfs/dbraw/zinc/57/18/27/169571827.db2.gz LLZMEXMKHZFDRK-NSHDSACASA-N 1 0 218.300 1.703 10 0 BDAERO CCN(C(=O)C1CC1)c1ccc(C[NH3+])cc1 ZINC000034654109 169630675 /nfs/dbraw/zinc/63/06/75/169630675.db2.gz WKIILPLJVVFVAK-UHFFFAOYSA-N 1 0 218.300 1.908 10 0 BDAERO Cc1nccc(CNCCC[N@@H+](C)C(C)C)n1 ZINC000226339238 134360718 /nfs/dbraw/zinc/36/07/18/134360718.db2.gz GBBASLLAJVHLLT-UHFFFAOYSA-N 1 0 236.363 1.605 10 0 BDAERO CO[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)C12CCC2 ZINC000308356899 532963666 /nfs/dbraw/zinc/96/36/66/532963666.db2.gz ZWGSTCWVRMYBFU-SDDRHHMPSA-N 1 0 241.375 1.941 10 0 BDAERO CN1CCO[C@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069796445 383843988 /nfs/dbraw/zinc/84/39/88/383843988.db2.gz HFCLSNXNNDZCMZ-NEPJUHHUSA-N 1 0 206.289 1.017 10 0 BDAERO COC[C@]1(C(=O)N2CC[C@H](C)[C@@H]2C)CCC[NH2+]1 ZINC000643730770 383849521 /nfs/dbraw/zinc/84/95/21/383849521.db2.gz BCPMOIIYTQSWMK-GVXVVHGQSA-N 1 0 240.347 1.012 10 0 BDAERO [NH3+][C@@H](c1c[nH]nn1)c1ccc(Cl)cc1 ZINC000087600039 383853080 /nfs/dbraw/zinc/85/30/80/383853080.db2.gz DHYXFVHEALAOBA-SECBINFHSA-N 1 0 208.652 1.506 10 0 BDAERO N[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035677112 383865850 /nfs/dbraw/zinc/86/58/50/383865850.db2.gz DACCINGOQFWAFJ-MRVPVSSYSA-N 1 0 205.088 1.952 10 0 BDAERO CCC[C@@H](C)[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000187686998 383880777 /nfs/dbraw/zinc/88/07/77/383880777.db2.gz AUEJNOYEMPWBED-OLZOCXBDSA-N 1 0 228.380 1.564 10 0 BDAERO c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000309341525 383872178 /nfs/dbraw/zinc/87/21/78/383872178.db2.gz KKOWSVCSSNZOCM-VHSXEESVSA-N 1 0 221.304 1.036 10 0 BDAERO Cc1ccc2c(c1)CN(C(N)=[NH2+])CCO2 ZINC000409434141 383828849 /nfs/dbraw/zinc/82/88/49/383828849.db2.gz OFQCQGSRBKNOCO-UHFFFAOYSA-N 1 0 205.261 1.083 10 0 BDAERO Cc1cc(C)n(CC[NH2+][C@H]2CCO[C@H]2C)n1 ZINC000348191752 383934209 /nfs/dbraw/zinc/93/42/09/383934209.db2.gz WDLJXDBPXPMKQX-RYUDHWBXSA-N 1 0 223.320 1.267 10 0 BDAERO Cc1cc(C)n(CC[NH2+][C@H]2CCO[C@@H]2C)n1 ZINC000348191750 383934243 /nfs/dbraw/zinc/93/42/43/383934243.db2.gz WDLJXDBPXPMKQX-NEPJUHHUSA-N 1 0 223.320 1.267 10 0 BDAERO COC[C@]1(C(=O)Nc2ccccc2)CCC[NH2+]1 ZINC000643613659 383995068 /nfs/dbraw/zinc/99/50/68/383995068.db2.gz AFUCBTCEKKECLJ-ZDUSSCGKSA-N 1 0 234.299 1.394 10 0 BDAERO CCN([C@@H]1CCCC1=O)C1CC[NH2+]CC1 ZINC000050157748 383944617 /nfs/dbraw/zinc/94/46/17/383944617.db2.gz BGOUGMPNVDVGTO-LLVKDONJSA-N 1 0 210.321 1.182 10 0 BDAERO [NH3+]CCSCc1cnc2ccccn12 ZINC000089201071 383944906 /nfs/dbraw/zinc/94/49/06/383944906.db2.gz NPIOLLVFJOEEBR-UHFFFAOYSA-N 1 0 207.302 1.526 10 0 BDAERO Cc1cnc(N(C)CC[C@@H]([NH3+])C(C)C)nc1 ZINC000227739093 134385823 /nfs/dbraw/zinc/38/58/23/134385823.db2.gz VILYAWXKCKCIGI-LLVKDONJSA-N 1 0 222.336 1.595 10 0 BDAERO F[C@H]1C[NH2+]CC[C@H]1c1nccc2[nH]ccc21 ZINC000089220689 383950292 /nfs/dbraw/zinc/95/02/92/383950292.db2.gz GPYLMZSBWKILCQ-SCZZXKLOSA-N 1 0 219.263 1.978 10 0 BDAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N(C)C)cc1 ZINC000037207589 383957510 /nfs/dbraw/zinc/95/75/10/383957510.db2.gz NWOAOFXEZUZRNY-NSHDSACASA-N 1 0 234.343 1.988 10 0 BDAERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)no1 ZINC000113225504 383970670 /nfs/dbraw/zinc/97/06/70/383970670.db2.gz ZTBMHZWQGWMDGQ-GXSJLCMTSA-N 1 0 249.314 1.292 10 0 BDAERO CCc1ccc(C[NH2+]CC(OC)OC)cc1 ZINC000037388285 383974615 /nfs/dbraw/zinc/97/46/15/383974615.db2.gz RRLAEWQPLUJNFR-UHFFFAOYSA-N 1 0 223.316 1.958 10 0 BDAERO COC[C@]1(C(=O)Nc2ccc(C)cc2)CCC[NH2+]1 ZINC000643614835 384017102 /nfs/dbraw/zinc/01/71/02/384017102.db2.gz NEBZXDNMRKDKOE-AWEZNQCLSA-N 1 0 248.326 1.702 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CO1 ZINC000401794675 384020218 /nfs/dbraw/zinc/02/02/18/384020218.db2.gz PSHMYXKEBZGDIW-KXUCPTDWSA-N 1 0 201.310 1.160 10 0 BDAERO Clc1nccc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000073734639 384021196 /nfs/dbraw/zinc/02/11/96/384021196.db2.gz PEWVJHRCERXKAV-QMMMGPOBSA-N 1 0 226.711 1.542 10 0 BDAERO COC[C@@]1(C(=O)N2CCC(C)CC2)CCC[NH2+]1 ZINC000643616454 384005780 /nfs/dbraw/zinc/00/57/80/384005780.db2.gz VMKGTIRZKTZGQS-CYBMUJFWSA-N 1 0 240.347 1.014 10 0 BDAERO COCCC1(C(=O)N(C)C(C)C)CC[NH2+]CC1 ZINC000643616537 384010787 /nfs/dbraw/zinc/01/07/87/384010787.db2.gz YKKGDZGLVHQCQR-UHFFFAOYSA-N 1 0 242.363 1.260 10 0 BDAERO C[C@H]1[C@@H](O)CCCN1CC(=O)Nc1ccccc1 ZINC000296305577 384041620 /nfs/dbraw/zinc/04/16/20/384041620.db2.gz PNYBLQCGKIQSCD-AAEUAGOBSA-N 1 0 248.326 1.470 10 0 BDAERO CCO[C@@]12CC[N@H+](C)[C@@H]1CCCCC2=O ZINC000039099814 384104328 /nfs/dbraw/zinc/10/43/28/384104328.db2.gz RGQOCMDKCYBEIB-PWSUYJOCSA-N 1 0 211.305 1.609 10 0 BDAERO Cn1cc(-c2ccc(C[NH+](C)C)cc2N)cn1 ZINC000039111253 384106796 /nfs/dbraw/zinc/10/67/96/384106796.db2.gz QSFBLNIXGHQTIS-UHFFFAOYSA-N 1 0 230.315 1.731 10 0 BDAERO Cc1nc(N)sc1CCSC(N)=[NH2+] ZINC000039109762 384107076 /nfs/dbraw/zinc/10/70/76/384107076.db2.gz UYCJLCWEJVRXLM-UHFFFAOYSA-N 1 0 216.335 1.203 10 0 BDAERO O=C1N(C2CC[NH2+]CC2)c2ccccc2C12CC2 ZINC000091301923 384114914 /nfs/dbraw/zinc/11/49/14/384114914.db2.gz STUXUVUWCPOCBH-UHFFFAOYSA-N 1 0 242.322 1.817 10 0 BDAERO COC(=O)CCC[NH2+][C@H](C)c1nccs1 ZINC000070733155 384133577 /nfs/dbraw/zinc/13/35/77/384133577.db2.gz JELYDAWNSAOBDS-MRVPVSSYSA-N 1 0 228.317 1.747 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)o1 ZINC000091667154 384137326 /nfs/dbraw/zinc/13/73/26/384137326.db2.gz CCMIITXGTWLJNM-VXGBXAGGSA-N 1 0 238.331 1.569 10 0 BDAERO [NH3+][C@@H]1CSC[C@@H]1Cc1cncs1 ZINC000156987499 384125950 /nfs/dbraw/zinc/12/59/50/384125950.db2.gz WFLZUOVVJBIJRI-POYBYMJQSA-N 1 0 200.332 1.376 10 0 BDAERO CC(C)CCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116798272 384154435 /nfs/dbraw/zinc/15/44/35/384154435.db2.gz ULNJCQDKKSQCIS-GFCCVEGCSA-N 1 0 242.363 1.212 10 0 BDAERO [NH3+]Cc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000041058721 384176204 /nfs/dbraw/zinc/17/62/04/384176204.db2.gz IYQSZDQCZBYYSJ-UHFFFAOYSA-N 1 0 214.272 1.808 10 0 BDAERO C[NH2+][C@@H](CCO)c1ccc2c(c1)OCCO2 ZINC000071524910 384168305 /nfs/dbraw/zinc/16/83/05/384168305.db2.gz FWPYWYVTGRCYQQ-JTQLQIEISA-N 1 0 223.272 1.101 10 0 BDAERO CN(Cc1ccc(Cl)s1)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524413 384234229 /nfs/dbraw/zinc/23/42/29/384234229.db2.gz AWTWGLGTGNLOFT-IUCAKERBSA-N 1 0 246.763 1.166 10 0 BDAERO Cc1csc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)n1 ZINC000282340842 384236067 /nfs/dbraw/zinc/23/60/67/384236067.db2.gz MDRBIGSIOYINHS-IUCAKERBSA-N 1 0 239.344 1.208 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1ccccn1 ZINC000282325695 384237553 /nfs/dbraw/zinc/23/75/53/384237553.db2.gz LGRBORASMVGVSG-JBLDHEPKSA-N 1 0 233.315 1.399 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1ccccn1 ZINC000282325698 384237688 /nfs/dbraw/zinc/23/76/88/384237688.db2.gz LGRBORASMVGVSG-NHCYSSNCSA-N 1 0 233.315 1.399 10 0 BDAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cccs1 ZINC000081899151 384210869 /nfs/dbraw/zinc/21/08/69/384210869.db2.gz CCBQDUUHAGISBO-BDAKNGLRSA-N 1 0 247.385 1.832 10 0 BDAERO C[N@@H+]1CCC=C2c3cc(O)ccc3OC[C@H]21 ZINC000027849145 384223598 /nfs/dbraw/zinc/22/35/98/384223598.db2.gz BGBULBPIVTWFIU-GFCCVEGCSA-N 1 0 217.268 1.872 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCc1cnccn1 ZINC000402926228 384261286 /nfs/dbraw/zinc/26/12/86/384261286.db2.gz QKQUCJSXFBNFAM-ZDUSSCGKSA-N 1 0 235.331 1.256 10 0 BDAERO CC(C)[C@H](C)[NH2+]Cc1cn(C(C)C)nn1 ZINC000308806348 384306724 /nfs/dbraw/zinc/30/67/24/384306724.db2.gz MKUHVKZJTDYCGU-JTQLQIEISA-N 1 0 210.325 1.993 10 0 BDAERO CN(Cc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000043501397 384282529 /nfs/dbraw/zinc/28/25/29/384282529.db2.gz DDDNDGDXOLYSDM-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1nccs1 ZINC000282480213 384293357 /nfs/dbraw/zinc/29/33/57/384293357.db2.gz WUFIELGXASMWDL-XHNCKOQMSA-N 1 0 239.344 1.461 10 0 BDAERO Cc1cnc(NC[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000095069336 384335242 /nfs/dbraw/zinc/33/52/42/384335242.db2.gz AUWIXNOWCXLFID-SECBINFHSA-N 1 0 240.738 1.850 10 0 BDAERO Clc1cc(OC[C@H]2CCC[NH2+]2)ncn1 ZINC000095069826 384335304 /nfs/dbraw/zinc/33/53/04/384335304.db2.gz OZTDAMWJNDVZBN-SSDOTTSWSA-N 1 0 213.668 1.261 10 0 BDAERO Clc1nccc(COC[C@H]2CCC[NH2+]C2)n1 ZINC000095070144 384335543 /nfs/dbraw/zinc/33/55/43/384335543.db2.gz HYWGNCBAAHCSOP-VIFPVBQESA-N 1 0 241.722 1.646 10 0 BDAERO Cc1cnc(N2CCCC[C@@H]2C[NH3+])nc1Cl ZINC000095069325 384335633 /nfs/dbraw/zinc/33/56/33/384335633.db2.gz ILFQEXXHGGRZME-SECBINFHSA-N 1 0 240.738 1.756 10 0 BDAERO Clc1ccc(COC[C@@H]2CCCC[NH2+]2)nn1 ZINC000095070495 384336871 /nfs/dbraw/zinc/33/68/71/384336871.db2.gz XENHFJWMDTVVJE-VIFPVBQESA-N 1 0 241.722 1.789 10 0 BDAERO Clc1nccc(COC[C@H]2CCC[NH2+]2)n1 ZINC000095070311 384336983 /nfs/dbraw/zinc/33/69/83/384336983.db2.gz ZDWWQIOPYBFTJS-MRVPVSSYSA-N 1 0 227.695 1.399 10 0 BDAERO Clc1ccc(COC2CC[NH2+]CC2)nn1 ZINC000095070494 384337028 /nfs/dbraw/zinc/33/70/28/384337028.db2.gz SGDAIPDEZHWFNI-UHFFFAOYSA-N 1 0 227.695 1.399 10 0 BDAERO CN(CC(=O)c1ccco1)C[C@H]1CCC[NH2+]C1 ZINC000095071135 384338180 /nfs/dbraw/zinc/33/81/80/384338180.db2.gz RHJVBBHXFSASAN-NSHDSACASA-N 1 0 236.315 1.394 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)c1cnc2ccccc2n1 ZINC000095070973 384338803 /nfs/dbraw/zinc/33/88/03/384338803.db2.gz RYLNPBBLDYMYJX-LLVKDONJSA-N 1 0 242.326 1.818 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1ncccn1 ZINC000095070814 384338825 /nfs/dbraw/zinc/33/88/25/384338825.db2.gz ZAEPTTPWNJBABO-JTQLQIEISA-N 1 0 206.293 1.055 10 0 BDAERO Cc1cc(C)nc(N(C)C[C@@H]2CCC[NH2+]C2)n1 ZINC000095071056 384338983 /nfs/dbraw/zinc/33/89/83/384338983.db2.gz ZGTMJCOEKWNAQY-GFCCVEGCSA-N 1 0 234.347 1.529 10 0 BDAERO CSc1nc(Cl)cc(O[C@H]2CC[NH2+]C2)n1 ZINC000095071781 384340725 /nfs/dbraw/zinc/34/07/25/384340725.db2.gz DHPHVJQEMWQFNV-LURJTMIESA-N 1 0 245.735 1.593 10 0 BDAERO COc1nccnc1COC[C@@H]1CCC[NH2+]C1 ZINC000095071647 384341373 /nfs/dbraw/zinc/34/13/73/384341373.db2.gz BTZGOUNRXLDLBM-SNVBAGLBSA-N 1 0 237.303 1.001 10 0 BDAERO CSc1nccnc1CN1CCC([NH3+])CC1 ZINC000095071911 384341992 /nfs/dbraw/zinc/34/19/92/384341992.db2.gz KKIAHIYMIFWVHE-UHFFFAOYSA-N 1 0 238.360 1.122 10 0 BDAERO [NH3+]C[C@H]1CCCCN1Cc1ccc(Cl)nn1 ZINC000095072451 384343176 /nfs/dbraw/zinc/34/31/76/384343176.db2.gz FMXLYVWYDXLEOW-SNVBAGLBSA-N 1 0 240.738 1.443 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCc1cccnc1 ZINC000095072280 384343411 /nfs/dbraw/zinc/34/34/11/384343411.db2.gz ZQDINQSIVZDTEE-RYUDHWBXSA-N 1 0 205.305 1.441 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1nc2cccnc2[nH]1 ZINC000095072431 384343451 /nfs/dbraw/zinc/34/34/51/384343451.db2.gz IMPGVYBJTYTXSX-SECBINFHSA-N 1 0 231.303 1.227 10 0 BDAERO O=C(COC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095072892 384344901 /nfs/dbraw/zinc/34/49/01/384344901.db2.gz LXCYWKCIFIVPBI-VIFPVBQESA-N 1 0 240.328 1.342 10 0 BDAERO O=C(COC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072883 384346158 /nfs/dbraw/zinc/34/61/58/384346158.db2.gz CEDKRRBPKAQRJF-SNVBAGLBSA-N 1 0 223.272 1.479 10 0 BDAERO O=C(COCC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095072918 384346197 /nfs/dbraw/zinc/34/61/97/384346197.db2.gz LGOOPYOMPJXPSO-GFCCVEGCSA-N 1 0 248.326 1.813 10 0 BDAERO O=[S@@](c1nc2ccccc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000095073395 384348864 /nfs/dbraw/zinc/34/88/64/384348864.db2.gz JZWMASVTJBGJDZ-XLFHBGCDSA-N 1 0 249.339 1.423 10 0 BDAERO Cc1ncsc1CC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000335587013 384352442 /nfs/dbraw/zinc/35/24/42/384352442.db2.gz YVYATYNMXLWRJL-GXSJLCMTSA-N 1 0 240.372 1.697 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cscn1 ZINC000335596313 384364066 /nfs/dbraw/zinc/36/40/66/384364066.db2.gz KTWRPOZSZHSGAS-WPRPVWTQSA-N 1 0 239.344 1.147 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(F)cn1 ZINC000335595514 384365266 /nfs/dbraw/zinc/36/52/66/384365266.db2.gz DUDWSQGUQDIVMN-WPRPVWTQSA-N 1 0 237.278 1.547 10 0 BDAERO Cc1ccc(OCCC[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069138 384332482 /nfs/dbraw/zinc/33/24/82/384332482.db2.gz XCXJDNSIMBWMSN-LBPRGKRZSA-N 1 0 235.331 1.944 10 0 BDAERO Cc1cc(N2CC[NH2+]C[C@H]2C)nc(Cl)n1 ZINC000095069570 384334308 /nfs/dbraw/zinc/33/43/08/384334308.db2.gz FQLQQRCWQFYACT-MRVPVSSYSA-N 1 0 226.711 1.237 10 0 BDAERO Clc1ccc(CNC[C@H]2CCC[NH2+]C2)nn1 ZINC000095069843 384334422 /nfs/dbraw/zinc/33/44/22/384334422.db2.gz LOYYVFWHNWBHFW-VIFPVBQESA-N 1 0 240.738 1.219 10 0 BDAERO Cc1cnc(OC[C@@H]2CCC[NH2+]2)nc1Cl ZINC000095069347 384334731 /nfs/dbraw/zinc/33/47/31/384334731.db2.gz RVJGPZVOOQPPKY-QMMMGPOBSA-N 1 0 227.695 1.569 10 0 BDAERO Cc1cnc(NC[C@H]2CCC[NH2+]2)nc1Cl ZINC000095069335 384334848 /nfs/dbraw/zinc/33/48/48/384334848.db2.gz IKNHXGKQBYTBQP-MRVPVSSYSA-N 1 0 226.711 1.602 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1noc(C)n1 ZINC000175340080 384426076 /nfs/dbraw/zinc/42/60/76/384426076.db2.gz ZFONLMHIQSFZNF-NSHDSACASA-N 1 0 238.335 1.294 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C)no1 ZINC000175344543 384426596 /nfs/dbraw/zinc/42/65/96/384426596.db2.gz VKHUFTLURDUPBC-GFCCVEGCSA-N 1 0 237.347 1.899 10 0 BDAERO COC(=O)CSCCC1CC[NH2+]CC1 ZINC000095908644 384407358 /nfs/dbraw/zinc/40/73/58/384407358.db2.gz BFFAJRGGRSPPGY-UHFFFAOYSA-N 1 0 217.334 1.282 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C)no1 ZINC000175344567 384424377 /nfs/dbraw/zinc/42/43/77/384424377.db2.gz VKHUFTLURDUPBC-LBPRGKRZSA-N 1 0 237.347 1.899 10 0 BDAERO O=C1NC[C@@H](C[NH2+][C@H]2CC3CCC2CC3)O1 ZINC000309835896 384436283 /nfs/dbraw/zinc/43/62/83/384436283.db2.gz LQNYZURFZMZFHO-LXKPXOPUSA-N 1 0 224.304 1.263 10 0 BDAERO [NH3+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000097139099 384498795 /nfs/dbraw/zinc/49/87/95/384498795.db2.gz WFJWXIKCMZYEEP-ZCFIWIBFSA-N 1 0 219.210 1.423 10 0 BDAERO c1cc(NC[C@@H]2CCC[NH2+]2)nc(C2CC2)n1 ZINC000212229068 384563304 /nfs/dbraw/zinc/56/33/04/384563304.db2.gz KEKDLBPEBHFREI-JTQLQIEISA-N 1 0 218.304 1.518 10 0 BDAERO [NH3+]Cc1cn(CCCCC2CCOCC2)nn1 ZINC000306003677 384564472 /nfs/dbraw/zinc/56/44/72/384564472.db2.gz VSEHXDKHZDOFSY-UHFFFAOYSA-N 1 0 238.335 1.334 10 0 BDAERO O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000020286447 384610027 /nfs/dbraw/zinc/61/00/27/384610027.db2.gz VMKDZMUGUPYJOO-KGLIPLIRSA-N 1 0 244.338 1.787 10 0 BDAERO NC(=O)c1ccc(-c2ccc(C[NH3+])o2)cc1 ZINC000020284891 384611328 /nfs/dbraw/zinc/61/13/28/384611328.db2.gz KIHRQQQXAVKBPV-UHFFFAOYSA-N 1 0 216.240 1.504 10 0 BDAERO CC[C@@H]1C[N@H+](CCSC)CCN1C[C@@H](C)O ZINC000171630054 384616796 /nfs/dbraw/zinc/61/67/96/384616796.db2.gz PDJMUFAALBOENC-VXGBXAGGSA-N 1 0 246.420 1.126 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC[C@@H](C)O ZINC000086189924 384617666 /nfs/dbraw/zinc/61/76/66/384617666.db2.gz INBMJTNSDAEHAN-VXGBXAGGSA-N 1 0 214.353 1.173 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403295368 384623180 /nfs/dbraw/zinc/62/31/80/384623180.db2.gz NJQQWZXAYJJZTF-LZQZFOIKSA-N 1 0 222.332 1.147 10 0 BDAERO CC(C)[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)CCO1 ZINC000084447518 384624331 /nfs/dbraw/zinc/62/43/31/384624331.db2.gz MFGQUMAQVWXJFX-MVKMKZAISA-N 1 0 227.348 1.551 10 0 BDAERO CC(C)(CO)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000037888267 384624846 /nfs/dbraw/zinc/62/48/46/384624846.db2.gz KDZZWZVDEDMULO-NSHDSACASA-N 1 0 227.279 1.220 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103516475 384628455 /nfs/dbraw/zinc/62/84/55/384628455.db2.gz VCOVUHQRNJYMQL-PWSUYJOCSA-N 1 0 239.363 1.378 10 0 BDAERO [NH3+]Cc1ccncc1I ZINC000098095811 384592366 /nfs/dbraw/zinc/59/23/66/384592366.db2.gz ZJKOANKAVWURKA-UHFFFAOYSA-N 1 0 234.040 1.145 10 0 BDAERO [NH3+]Cc1cccc(I)n1 ZINC000098095804 384592845 /nfs/dbraw/zinc/59/28/45/384592845.db2.gz AGICGSGGILRUEQ-UHFFFAOYSA-N 1 0 234.040 1.145 10 0 BDAERO Cc1ccc([C@H]2C[C@@H](O)[C@](C)(O)C[N@H+]2C)c(C)c1 ZINC000100399090 384638422 /nfs/dbraw/zinc/63/84/22/384638422.db2.gz BXHUHAQDRAWEPJ-RBSFLKMASA-N 1 0 249.354 1.792 10 0 BDAERO CCC[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162553633 384644057 /nfs/dbraw/zinc/64/40/57/384644057.db2.gz SSBDLONNTJXCJY-YFKTTZPYSA-N 1 0 227.348 1.551 10 0 BDAERO CC(C)(CCn1cc(C[NH3+])nn1)C1CC1 ZINC000406123543 384653545 /nfs/dbraw/zinc/65/35/45/384653545.db2.gz SLUPNDLAUUWZSX-UHFFFAOYSA-N 1 0 208.309 1.563 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000082278617 384658877 /nfs/dbraw/zinc/65/88/77/384658877.db2.gz FQCZQZHRMQPGAU-LBPRGKRZSA-N 1 0 218.300 1.463 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000082284429 384661003 /nfs/dbraw/zinc/66/10/03/384661003.db2.gz AFMJVDDYVKMYKM-LBPRGKRZSA-N 1 0 248.326 1.097 10 0 BDAERO c1ccc(CCCN[C@H]2CC[NH2+]C2)cc1 ZINC000086725117 384679231 /nfs/dbraw/zinc/67/92/31/384679231.db2.gz JGHXGMMRCLVAKN-ZDUSSCGKSA-N 1 0 204.317 1.571 10 0 BDAERO Cc1cccc2[nH]c(CN3CC[NH2+]CC3)nc21 ZINC000051640078 384679614 /nfs/dbraw/zinc/67/96/14/384679614.db2.gz JRSRWWPVAYZTEA-UHFFFAOYSA-N 1 0 230.315 1.277 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncncc1Cl ZINC000306831946 384682085 /nfs/dbraw/zinc/68/20/85/384682085.db2.gz NIHGEDXZLBTWEP-RQJHMYQMSA-N 1 0 212.684 1.056 10 0 BDAERO Cc1ccnc(NCCC[NH3+])c1Br ZINC000235790459 384696736 /nfs/dbraw/zinc/69/67/36/384696736.db2.gz RKIGRFZVDCKQKN-UHFFFAOYSA-N 1 0 244.136 1.913 10 0 BDAERO Cc1cc(C)nc(OC[C@H]2CCCC[NH2+]2)n1 ZINC000051883304 384697116 /nfs/dbraw/zinc/69/71/16/384697116.db2.gz FHWLYIITFIBBFS-LLVKDONJSA-N 1 0 221.304 1.614 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccn(C)c2)c1 ZINC000125154356 384698809 /nfs/dbraw/zinc/69/88/09/384698809.db2.gz LPOSVBPTHYSOEX-UHFFFAOYSA-N 1 0 218.304 1.320 10 0 BDAERO c1ccc(OCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000051918507 384700091 /nfs/dbraw/zinc/70/00/91/384700091.db2.gz ASKKUTLMLHROAI-NSHDSACASA-N 1 0 206.289 1.850 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000309910450 384705772 /nfs/dbraw/zinc/70/57/72/384705772.db2.gz MKRXGKJUOFFYLS-DDHJBXDOSA-N 1 0 227.348 1.551 10 0 BDAERO CC(C)=CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000309909951 384706210 /nfs/dbraw/zinc/70/62/10/384706210.db2.gz MBZGNLXPMMMWCI-WDEREUQCSA-N 1 0 208.305 1.163 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](CCn3ccnc3)C2)cn1 ZINC000163043828 384727422 /nfs/dbraw/zinc/72/74/22/384727422.db2.gz DYGJFTRQLKDTAA-GFCCVEGCSA-N 1 0 245.330 1.106 10 0 BDAERO CC[C@H](C)CN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290756 384733829 /nfs/dbraw/zinc/73/38/29/384733829.db2.gz DDAVPGWTDBVLHH-NWDGAFQWSA-N 1 0 226.364 1.881 10 0 BDAERO CC[C@@H](C[NH2+]C)n1nnc2ccccc21 ZINC000052576793 384735059 /nfs/dbraw/zinc/73/50/59/384735059.db2.gz XIVBGDMHCWHVPZ-VIFPVBQESA-N 1 0 204.277 1.602 10 0 BDAERO N[C@@H](C[NH3+])c1cc(F)ccc1C(F)(F)F ZINC000044470156 384735120 /nfs/dbraw/zinc/73/51/20/384735120.db2.gz WGOGBOXDUDJPTM-QMMMGPOBSA-N 1 0 222.185 1.803 10 0 BDAERO Cc1cc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)on1 ZINC000334824464 384736350 /nfs/dbraw/zinc/73/63/50/384736350.db2.gz BOKJTTIMXRXKKA-PSASIEDQSA-N 1 0 210.277 1.186 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000307069757 384740810 /nfs/dbraw/zinc/74/08/10/384740810.db2.gz DFOLVAJHVLVFQM-GARJFASQSA-N 1 0 214.378 1.564 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CCc2ccccn2)C1 ZINC000334827473 384741508 /nfs/dbraw/zinc/74/15/08/384741508.db2.gz QOYOPHFWIWQWIG-AAEUAGOBSA-N 1 0 220.316 1.327 10 0 BDAERO Cn1cc(CC[NH3+])c(-c2cccs2)n1 ZINC000082640475 384742526 /nfs/dbraw/zinc/74/25/26/384742526.db2.gz HXLLNCCUBSGRHE-UHFFFAOYSA-N 1 0 207.302 1.650 10 0 BDAERO Cc1ccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000334848770 384746347 /nfs/dbraw/zinc/74/63/47/384746347.db2.gz KESURLCBZSTPTD-WDEREUQCSA-N 1 0 205.305 1.800 10 0 BDAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000011967400 384747508 /nfs/dbraw/zinc/74/75/08/384747508.db2.gz DRIRHLUPQYYSMV-MRVPVSSYSA-N 1 0 231.342 1.274 10 0 BDAERO Cc1scc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000335506973 384766588 /nfs/dbraw/zinc/76/65/88/384766588.db2.gz HZFUDAVCKVNMQM-KCJUWKMLSA-N 1 0 238.356 1.927 10 0 BDAERO Cc1cnn([C@@H]2CCC[N@H+](CC(C)(C)O)C2)c1 ZINC000105904294 384816145 /nfs/dbraw/zinc/81/61/45/384816145.db2.gz GVOQSKYCTDAGRE-GFCCVEGCSA-N 1 0 237.347 1.599 10 0 BDAERO CSC[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000108994249 384822521 /nfs/dbraw/zinc/82/25/21/384822521.db2.gz MLQHLFFMNPWASR-UWVGGRQHSA-N 1 0 230.377 1.148 10 0 BDAERO COCc1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000145694257 384783513 /nfs/dbraw/zinc/78/35/13/384783513.db2.gz LPXPHSDSAKBJLX-LBPRGKRZSA-N 1 0 206.289 1.067 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000048775742 384789703 /nfs/dbraw/zinc/78/97/03/384789703.db2.gz BLJFIVJQWISQHN-MRVPVSSYSA-N 1 0 210.252 1.681 10 0 BDAERO [NH3+]Cc1cc(Sc2nncs2)ccn1 ZINC000061812324 384789920 /nfs/dbraw/zinc/78/99/20/384789920.db2.gz IWDPDXXZXAWRON-UHFFFAOYSA-N 1 0 224.314 1.543 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCn1cncn1 ZINC000310027699 384794486 /nfs/dbraw/zinc/79/44/86/384794486.db2.gz QDPIRJQRPINFAR-VXGBXAGGSA-N 1 0 222.336 1.837 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(C)(C)C ZINC000310014973 384796032 /nfs/dbraw/zinc/79/60/32/384796032.db2.gz KMELQKWLYPIMJI-NEPJUHHUSA-N 1 0 228.380 1.731 10 0 BDAERO CC(C)CC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000105823766 384801777 /nfs/dbraw/zinc/80/17/77/384801777.db2.gz ZJTYCWHSQMBRAX-QWHCGFSZSA-N 1 0 228.380 1.419 10 0 BDAERO CC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043426368 384803237 /nfs/dbraw/zinc/80/32/37/384803237.db2.gz GUXMJDIBNNZLCA-RYUDHWBXSA-N 1 0 211.305 1.609 10 0 BDAERO CCCC[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000105835643 384803210 /nfs/dbraw/zinc/80/32/10/384803210.db2.gz SBHDMLBSBMTLCA-CYBMUJFWSA-N 1 0 228.380 1.829 10 0 BDAERO [NH3+]CCc1ncc(Br)s1 ZINC000083883353 384807285 /nfs/dbraw/zinc/80/72/85/384807285.db2.gz UNQIXIIEQJKRPB-UHFFFAOYSA-N 1 0 207.096 1.407 10 0 BDAERO CC[N@H+](C[C@@H](C)OC)C[C@@](C)(O)CC ZINC000361558399 384811586 /nfs/dbraw/zinc/81/15/86/384811586.db2.gz HLWZAZJZZISEDI-MNOVXSKESA-N 1 0 203.326 1.504 10 0 BDAERO CC(C)Oc1ccccc1OCC1=[NH+]CCN1 ZINC000013805967 384871917 /nfs/dbraw/zinc/87/19/17/384871917.db2.gz ZRUHGVAUKVWJED-UHFFFAOYSA-N 1 0 234.299 1.854 10 0 BDAERO c1cn2c(n1)CC[C@H]([NH2+]C[C@H]1CCSC1)C2 ZINC000376470374 384873116 /nfs/dbraw/zinc/87/31/16/384873116.db2.gz CBAVOUXWDFHGBB-MNOVXSKESA-N 1 0 237.372 1.541 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCc2ccccc2)C1 ZINC000310189621 384887271 /nfs/dbraw/zinc/88/72/71/384887271.db2.gz YKNHINBJWHVUDD-ZIAGYGMSSA-N 1 0 235.327 1.311 10 0 BDAERO Cc1cnc(CN(C[C@@H]2CCC[NH2+]2)C2CC2)o1 ZINC000583621999 384842756 /nfs/dbraw/zinc/84/27/56/384842756.db2.gz LNPDPLZULKHKAW-NSHDSACASA-N 1 0 235.331 1.699 10 0 BDAERO N[n+]1cc(Br)cc2ccccc21 ZINC000072236465 384843230 /nfs/dbraw/zinc/84/32/30/384843230.db2.gz MRTTZRXMGIOPFS-UHFFFAOYSA-N 1 0 224.081 1.604 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1[NH3+])c1cccnc1 ZINC000160933375 384844555 /nfs/dbraw/zinc/84/45/55/384844555.db2.gz ZXCWCLDJPCPEKA-MVWJERBFSA-N 1 0 233.315 1.386 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCc2ccccc2)C1 ZINC000310189617 384888477 /nfs/dbraw/zinc/88/84/77/384888477.db2.gz YKNHINBJWHVUDD-KBPBESRZSA-N 1 0 235.327 1.311 10 0 BDAERO CCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000174974998 384853590 /nfs/dbraw/zinc/85/35/90/384853590.db2.gz YVXWOHHTEHLAKH-WDEREUQCSA-N 1 0 210.321 1.482 10 0 BDAERO Cc1ccoc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247146701 384858429 /nfs/dbraw/zinc/85/84/29/384858429.db2.gz JYXBZEBOSNBQKD-NEPJUHHUSA-N 1 0 248.326 1.897 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643729314 384864781 /nfs/dbraw/zinc/86/47/81/384864781.db2.gz WNRYJGXIZXKUPF-NQBHXWOUSA-N 1 0 240.347 1.060 10 0 BDAERO CC[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000119689942 384949566 /nfs/dbraw/zinc/94/95/66/384949566.db2.gz BOAMSQYSHLSEAW-CYBMUJFWSA-N 1 0 225.380 1.108 10 0 BDAERO Fc1ccccc1CNC[C@H]1CC[NH2+]C1 ZINC000259022854 384954919 /nfs/dbraw/zinc/95/49/19/384954919.db2.gz YVBWZJDDUTYNRG-JTQLQIEISA-N 1 0 208.280 1.525 10 0 BDAERO Cc1nc(C)c(C)c(NC[C@@H]2CCC[NH2+]2)n1 ZINC000257661611 384922159 /nfs/dbraw/zinc/92/21/59/384922159.db2.gz VBOFFZNTFCIQEC-NSHDSACASA-N 1 0 220.320 1.566 10 0 BDAERO FCCCC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000367132769 384929703 /nfs/dbraw/zinc/92/97/03/384929703.db2.gz GGFQZZNZCRIAFU-GFCCVEGCSA-N 1 0 214.328 1.906 10 0 BDAERO C[C@@H](C[NH3+])CNc1cc(NC2CC2)ncn1 ZINC000258548374 384934502 /nfs/dbraw/zinc/93/45/02/384934502.db2.gz ADAHYHQMYSVYME-QMMMGPOBSA-N 1 0 221.308 1.058 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)Nc1ccccc1 ZINC000149592497 384937694 /nfs/dbraw/zinc/93/76/94/384937694.db2.gz XOCGRNRFZBYVFE-DMDPSCGWSA-N 1 0 248.326 1.781 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccco1 ZINC000085790340 384967669 /nfs/dbraw/zinc/96/76/69/384967669.db2.gz CLAKSOMGAGJVLX-GHMZBOCLSA-N 1 0 224.304 1.261 10 0 BDAERO FCCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000127970561 384970469 /nfs/dbraw/zinc/97/04/69/384970469.db2.gz TWPCUAPIDWRDGN-UHFFFAOYSA-N 1 0 238.310 1.348 10 0 BDAERO Cc1cc(C[NH2+]C[C@H](O)C(C)(C)C)sn1 ZINC000404428493 384994139 /nfs/dbraw/zinc/99/41/39/384994139.db2.gz GADDMGOBNBZJBT-JTQLQIEISA-N 1 0 228.361 1.948 10 0 BDAERO CCN(C)C(=O)OC[C@@H]1CCCC[NH2+]1 ZINC000086229851 384999131 /nfs/dbraw/zinc/99/91/31/384999131.db2.gz GMCXPAMZGGPINZ-VIFPVBQESA-N 1 0 200.282 1.217 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccns1 ZINC000404458571 385001232 /nfs/dbraw/zinc/00/12/32/385001232.db2.gz OVCCCDKTJULYTG-VIFPVBQESA-N 1 0 214.334 1.640 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](Cc3cc[nH]n3)C2)cn1 ZINC000128544957 385049205 /nfs/dbraw/zinc/04/92/05/385049205.db2.gz WYJRATMHBSTPSO-JTQLQIEISA-N 1 0 231.303 1.133 10 0 BDAERO COC1(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)CCCC1 ZINC000319036755 385063607 /nfs/dbraw/zinc/06/36/07/385063607.db2.gz KNYPIOMKSPEOPW-WDEREUQCSA-N 1 0 212.337 1.225 10 0 BDAERO COc1ccc([C@]2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000257173888 385025979 /nfs/dbraw/zinc/02/59/79/385025979.db2.gz GSUGYWJBKQWWQT-IMRBUKKESA-N 1 0 233.311 1.797 10 0 BDAERO Cc1c(C[NH2+][C@H]2CCCC[C@@H]2O)cnn1C ZINC000086552058 385026435 /nfs/dbraw/zinc/02/64/35/385026435.db2.gz XMCMLEZZDQJDSI-RYUDHWBXSA-N 1 0 223.320 1.122 10 0 BDAERO Cc1cnc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)nc1 ZINC000128339239 385026477 /nfs/dbraw/zinc/02/64/77/385026477.db2.gz KRJOWCRSAXSXAB-NWDGAFQWSA-N 1 0 234.347 1.926 10 0 BDAERO C[C@@H]1C[C@H](C[NH2+]CC(C)(C)O)[C@H](C)O1 ZINC000642718351 385033516 /nfs/dbraw/zinc/03/35/16/385033516.db2.gz FIFLESWIVHCAHL-KXUCPTDWSA-N 1 0 201.310 1.160 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](CC3=CCCOC3)C2)cn1 ZINC000128518330 385044400 /nfs/dbraw/zinc/04/44/00/385044400.db2.gz PEPJDQXTJUIVOD-CYBMUJFWSA-N 1 0 247.342 1.556 10 0 BDAERO CCc1cc(CC)nc(NC[C@H]([NH3+])C(C)C)n1 ZINC000336696110 385116302 /nfs/dbraw/zinc/11/63/02/385116302.db2.gz IZZPJISJGJTTCJ-LBPRGKRZSA-N 1 0 236.363 1.419 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647302807 385133318 /nfs/dbraw/zinc/13/33/18/385133318.db2.gz SCULRCIFMYRFNM-WCBMZHEXSA-N 1 0 246.301 1.821 10 0 BDAERO CC[C@@H](CO)[N@H+](C)C[C@H](O)C(C)(C)C ZINC000345847493 385137908 /nfs/dbraw/zinc/13/79/08/385137908.db2.gz YXVHWEMOHWGFBJ-UWVGGRQHSA-N 1 0 203.326 1.096 10 0 BDAERO C[N@@H+]1Cc2ccc(NCC3(O)CCC3)cc2C1 ZINC000644686785 385105869 /nfs/dbraw/zinc/10/58/69/385105869.db2.gz VDGXOPZCHDJSEE-UHFFFAOYSA-N 1 0 232.327 1.959 10 0 BDAERO Cc1ccnc(N[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000061859608 385142854 /nfs/dbraw/zinc/14/28/54/385142854.db2.gz NCHIWFKLOGHHDD-ZJUUUORDSA-N 1 0 206.293 1.467 10 0 BDAERO Cc1cnc(N[C@H](C)CCCC[NH3+])nc1 ZINC000308836429 385199908 /nfs/dbraw/zinc/19/99/08/385199908.db2.gz LKRSTQXNXZFLKO-SNVBAGLBSA-N 1 0 208.309 1.714 10 0 BDAERO CN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(F)cc1 ZINC000062208824 385166154 /nfs/dbraw/zinc/16/61/54/385166154.db2.gz DIXXWMKRKCSIPO-ONGXEEELSA-N 1 0 208.236 1.056 10 0 BDAERO O=C(C1CC1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107636276 385206830 /nfs/dbraw/zinc/20/68/30/385206830.db2.gz APEGOUSEINWGCE-CYBMUJFWSA-N 1 0 236.359 1.873 10 0 BDAERO CCCC[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000308844803 385207152 /nfs/dbraw/zinc/20/71/52/385207152.db2.gz OVCFSXHMTALPTR-HBNTYKKESA-N 1 0 212.337 1.761 10 0 BDAERO O=C1CCCCC[C@H]1N1CCC[NH2+]CC1 ZINC000062749597 385228093 /nfs/dbraw/zinc/22/80/93/385228093.db2.gz GMCOQLRAUUZWNW-LLVKDONJSA-N 1 0 210.321 1.184 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@@]2(C)CCOC2)[C@H]2CCO[C@@H]21 ZINC000344064737 385246875 /nfs/dbraw/zinc/24/68/75/385246875.db2.gz BVROSVPCVPXYEW-NRWUCQMLSA-N 1 0 239.359 1.816 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1OC(=O)N1CCCCC1 ZINC000131773912 385316510 /nfs/dbraw/zinc/31/65/10/385316510.db2.gz DGZDDNVWKKNDOW-NXEZZACHSA-N 1 0 212.293 1.489 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000052274735 385270367 /nfs/dbraw/zinc/27/03/67/385270367.db2.gz QQTHBWGDSNYMCQ-KCJUWKMLSA-N 1 0 204.273 1.284 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1ccc2ncccc2c1 ZINC000259334852 385284436 /nfs/dbraw/zinc/28/44/36/385284436.db2.gz XLQYCUVSKAZXQH-CQSZACIVSA-N 1 0 227.311 1.811 10 0 BDAERO Cc1nnc(N[C@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000307669989 385329389 /nfs/dbraw/zinc/32/93/89/385329389.db2.gz TYOYVFZOLDHQCU-SVRRBLITSA-N 1 0 212.322 1.399 10 0 BDAERO Cn1cc([C@H]2CCCN2Cc2ccnn2C)cn1 ZINC000131927987 385369658 /nfs/dbraw/zinc/36/96/58/385369658.db2.gz IGSSJBPRLIAESS-CYBMUJFWSA-N 1 0 245.330 1.491 10 0 BDAERO C[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000192986880 385378030 /nfs/dbraw/zinc/37/80/30/385378030.db2.gz MNNACWYOOPBZJG-CFVMTHIKSA-N 1 0 249.354 1.955 10 0 BDAERO CC[C@@H](C)C[NH2+]C[C@@H](C)N1CCOCC1 ZINC000093054753 385400254 /nfs/dbraw/zinc/40/02/54/385400254.db2.gz QYPIMMVDJRJKMX-VXGBXAGGSA-N 1 0 214.353 1.343 10 0 BDAERO c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CCSC1)C2 ZINC000309087130 385411235 /nfs/dbraw/zinc/41/12/35/385411235.db2.gz ZBOXERQSEZEMFF-VHSXEESVSA-N 1 0 223.345 1.293 10 0 BDAERO COC(=O)CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000178701858 385412890 /nfs/dbraw/zinc/41/28/90/385412890.db2.gz LHFAKPPYGUQYQL-NSHDSACASA-N 1 0 237.303 1.500 10 0 BDAERO CO[C@@H]1CN(c2ccc(C)cc2)C12CC[NH2+]CC2 ZINC000169676590 385417245 /nfs/dbraw/zinc/41/72/45/385417245.db2.gz KRFXDRZMTXLOCK-CQSZACIVSA-N 1 0 246.354 1.952 10 0 BDAERO COC(=O)[C@H](N)[C@@H](C)Oc1ccccc1Cl ZINC000169726739 385419015 /nfs/dbraw/zinc/41/90/15/385419015.db2.gz XGCQEASCQUKHDJ-GMSGAONNSA-N 1 0 243.690 1.608 10 0 BDAERO COC(=O)[C@H](N)[C@H](C)Oc1ccccc1Cl ZINC000169726738 385419043 /nfs/dbraw/zinc/41/90/43/385419043.db2.gz XGCQEASCQUKHDJ-OIBJUYFYSA-N 1 0 243.690 1.608 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CCN1C ZINC000309145451 385438479 /nfs/dbraw/zinc/43/84/79/385438479.db2.gz VCFSNICJBHDXQK-RKDXNWHRSA-N 1 0 218.291 1.856 10 0 BDAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCc1ccccc1 ZINC000179170560 385448786 /nfs/dbraw/zinc/44/87/86/385448786.db2.gz ZJOIQRGLTIAQFN-ZIAGYGMSSA-N 1 0 235.327 1.047 10 0 BDAERO Fc1ccc([C@@H]2CSCCC[NH2+]2)nc1 ZINC000156485352 385454260 /nfs/dbraw/zinc/45/42/60/385454260.db2.gz KFFJWBYLRUVOLD-JTQLQIEISA-N 1 0 212.293 1.988 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000295134429 385456231 /nfs/dbraw/zinc/45/62/31/385456231.db2.gz YXYWIZZGNOQWGR-GXFFZTMASA-N 1 0 248.326 1.131 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(N)=O ZINC000309201357 385476783 /nfs/dbraw/zinc/47/67/83/385476783.db2.gz RILIGEYBYFNMMS-MXWKQRLJSA-N 1 0 212.337 1.809 10 0 BDAERO Fc1ccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)cc1 ZINC000062669876 385496065 /nfs/dbraw/zinc/49/60/65/385496065.db2.gz KJHVILXOVDJRFK-UHFFFAOYSA-N 1 0 246.289 1.625 10 0 BDAERO CCC[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000590517088 385488987 /nfs/dbraw/zinc/48/89/87/385488987.db2.gz RXGCEAUCRXFYMV-MNOVXSKESA-N 1 0 227.352 1.521 10 0 BDAERO Cc1cncc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1 ZINC000282043220 385489841 /nfs/dbraw/zinc/48/98/41/385489841.db2.gz ARQKWRPBBWSOTO-CMPLNLGQSA-N 1 0 233.315 1.147 10 0 BDAERO C[NH2+][C@@H](C)CNc1cc(C(C)(C)C)ncn1 ZINC000309331675 385536840 /nfs/dbraw/zinc/53/68/40/385536840.db2.gz SNDDPMXIVJHKES-VIFPVBQESA-N 1 0 222.336 1.794 10 0 BDAERO CC(C)([NH3+])C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000309308030 385525323 /nfs/dbraw/zinc/52/53/23/385525323.db2.gz WETYVVFNXDSXKV-NXEZZACHSA-N 1 0 210.321 1.515 10 0 BDAERO CC(C)([NH3+])C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000309308035 385525773 /nfs/dbraw/zinc/52/57/73/385525773.db2.gz WETYVVFNXDSXKV-VHSXEESVSA-N 1 0 210.321 1.515 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000309410750 385574195 /nfs/dbraw/zinc/57/41/95/385574195.db2.gz BTHNOIBZYDXGGF-QJPTWQEYSA-N 1 0 227.348 1.816 10 0 BDAERO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@H]1CCCCO1 ZINC000309400470 385570728 /nfs/dbraw/zinc/57/07/28/385570728.db2.gz HHKPKFWIVDQBOD-MROQNXINSA-N 1 0 226.364 1.484 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccc(F)cc1F ZINC000054076938 385594842 /nfs/dbraw/zinc/59/48/42/385594842.db2.gz USRWLJGBJCJFHB-SSDOTTSWSA-N 1 0 228.242 1.189 10 0 BDAERO Cc1nn(C)cc1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000306713317 385596315 /nfs/dbraw/zinc/59/63/15/385596315.db2.gz VGMRQXCJXMVDDN-DTWKUNHWSA-N 1 0 207.277 1.039 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CCC[C@H]1O)c1ccccn1 ZINC000251289898 385620158 /nfs/dbraw/zinc/62/01/58/385620158.db2.gz VAZDSWFCATZIPK-DMDPSCGWSA-N 1 0 220.316 1.893 10 0 BDAERO CC(=O)c1ccc(N2C[C@H](C)[C@H]([NH+](C)C)C2)nc1 ZINC000251723527 385631000 /nfs/dbraw/zinc/63/10/00/385631000.db2.gz KADCFFUCUSURTK-GXFFZTMASA-N 1 0 247.342 1.671 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1cc2ccccc2nn1 ZINC000259646545 385610249 /nfs/dbraw/zinc/61/02/49/385610249.db2.gz XGTDSKHOKFFJIW-CYBMUJFWSA-N 1 0 228.299 1.206 10 0 BDAERO CCc1nsc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000307259234 385654869 /nfs/dbraw/zinc/65/48/69/385654869.db2.gz QYYKZYJVGPZBEF-RQJHMYQMSA-N 1 0 212.322 1.026 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+][C@@H](C)C1CC1)CC2 ZINC000309564547 385695236 /nfs/dbraw/zinc/69/52/36/385695236.db2.gz LWXSCDFUTNOCGR-GZMMTYOYSA-N 1 0 220.320 1.289 10 0 BDAERO [NH3+]C[C@]1(CC2CCCCC2)CNCCO1 ZINC000211950148 385700907 /nfs/dbraw/zinc/70/09/07/385700907.db2.gz FDIJUIRMUVBBAW-GFCCVEGCSA-N 1 0 212.337 1.274 10 0 BDAERO C[C@H](C[NH3+])CNc1nccc(C(C)(C)C)n1 ZINC000336691781 385728691 /nfs/dbraw/zinc/72/86/91/385728691.db2.gz KUNAAGVSCBYLIT-SECBINFHSA-N 1 0 222.336 1.781 10 0 BDAERO [NH3+]Cc1coc(Cn2cc(Cl)cn2)c1 ZINC000052577224 385741952 /nfs/dbraw/zinc/74/19/52/385741952.db2.gz JACFFYYGUDIMMO-UHFFFAOYSA-N 1 0 211.652 1.637 10 0 BDAERO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)C(C)(C)C ZINC000309620004 385751381 /nfs/dbraw/zinc/75/13/81/385751381.db2.gz CYNDYWCTTSCSLP-MDZLAQPJSA-N 1 0 229.364 1.941 10 0 BDAERO C[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)C1CC1 ZINC000186942453 385819090 /nfs/dbraw/zinc/81/90/90/385819090.db2.gz MOGVMBPSZYRJDE-NXEZZACHSA-N 1 0 245.388 1.588 10 0 BDAERO COC(=O)[C@]1(c2ccc(OC)cc2)CC[NH2+]C1 ZINC000260426598 385845639 /nfs/dbraw/zinc/84/56/39/385845639.db2.gz DILSRMYBSJBQLR-CYBMUJFWSA-N 1 0 235.283 1.099 10 0 BDAERO COC(=O)c1ccc(C(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000215683119 385849109 /nfs/dbraw/zinc/84/91/09/385849109.db2.gz ZNORKNZUCQAQSL-LLVKDONJSA-N 1 0 233.267 1.265 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@H]1c1cccc(C)c1 ZINC000215989411 385855634 /nfs/dbraw/zinc/85/56/34/385855634.db2.gz HVHLJCLQPLVMMN-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO O[C@@]1([C@H]2CCCC[NH2+]2)CCCSC1 ZINC000575535720 385908273 /nfs/dbraw/zinc/90/82/73/385908273.db2.gz XYKYBVFZTCHZSJ-ZJUUUORDSA-N 1 0 201.335 1.387 10 0 BDAERO CCN(C(=O)[C@@H](C)[NH2+]C)C1CCCCC1 ZINC000055421605 385925365 /nfs/dbraw/zinc/92/53/65/385925365.db2.gz XHHLSMVWWJZJEB-SNVBAGLBSA-N 1 0 212.337 1.776 10 0 BDAERO C[NH2+][C@@H]1COC[C@H]1c1occc1Br ZINC000575531725 385879040 /nfs/dbraw/zinc/87/90/40/385879040.db2.gz RVPWNXJTKUILOU-HTRCEHHLSA-N 1 0 246.104 1.744 10 0 BDAERO C[C@@H]1CCCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000335021960 385982730 /nfs/dbraw/zinc/98/27/30/385982730.db2.gz BGMJNAXOOARAFU-NEPJUHHUSA-N 1 0 224.348 1.635 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)CC2CC2)c1 ZINC000124023256 385987529 /nfs/dbraw/zinc/98/75/29/385987529.db2.gz TWHUDYOTILNIDK-LLVKDONJSA-N 1 0 207.321 1.970 10 0 BDAERO CC(C)([NH3+])[C@@H](O)c1ccncc1Cl ZINC000575555347 385991274 /nfs/dbraw/zinc/99/12/74/385991274.db2.gz KIJDLNFNTDVDHP-QMMMGPOBSA-N 1 0 200.669 1.506 10 0 BDAERO Cc1c(C[N@H+]2CCC[C@H](O)[C@H]2C)cnn1C ZINC000295123951 385972432 /nfs/dbraw/zinc/97/24/32/385972432.db2.gz XQQYWWQLABYBMS-PWSUYJOCSA-N 1 0 223.320 1.074 10 0 BDAERO [NH3+][C@H](CO)c1cc(F)cc(Br)c1 ZINC000072198746 385973894 /nfs/dbraw/zinc/97/38/94/385973894.db2.gz IFFYQONBWGTGIG-MRVPVSSYSA-N 1 0 234.068 1.580 10 0 BDAERO Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000189440812 385999363 /nfs/dbraw/zinc/99/93/63/385999363.db2.gz SCKVHKHYQIEUQH-KWQFWETISA-N 1 0 210.277 1.640 10 0 BDAERO Cc1cncc(-c2cnn(CCC[NH3+])c2)c1 ZINC000309452510 386013317 /nfs/dbraw/zinc/01/33/17/386013317.db2.gz RIGAADIMWQFCSM-UHFFFAOYSA-N 1 0 216.288 1.602 10 0 BDAERO C[C@@H]1CSC[C@@]1([NH3+])Cc1cnsn1 ZINC000575561606 386023631 /nfs/dbraw/zinc/02/36/31/386023631.db2.gz QLUWWSYVOHTSPU-SVRRBLITSA-N 1 0 215.347 1.161 10 0 BDAERO C[NH2+][C@@H](C)CNCc1csc(C2CC2)n1 ZINC000414977049 386029855 /nfs/dbraw/zinc/02/98/55/386029855.db2.gz QAGZIWOZZHJRMM-QMMMGPOBSA-N 1 0 225.361 1.718 10 0 BDAERO CS(C)(=O)=NCCC1([NH3+])CCCCC1 ZINC000306847064 386035173 /nfs/dbraw/zinc/03/51/73/386035173.db2.gz JHTJWIFVZLFDCU-UHFFFAOYSA-N 1 0 218.366 1.766 10 0 BDAERO C[C@]1(CNc2ncnc3nc[nH]c32)CCC[NH2+]C1 ZINC000129297751 386052349 /nfs/dbraw/zinc/05/23/49/386052349.db2.gz KBAKQVMKUWUBRG-LBPRGKRZSA-N 1 0 246.318 1.155 10 0 BDAERO C[C@@H]([NH3+])Cc1noc(-c2ccsc2)n1 ZINC000054161380 386113776 /nfs/dbraw/zinc/11/37/76/386113776.db2.gz INOIECFXAFMIME-ZCFIWIBFSA-N 1 0 209.274 1.688 10 0 BDAERO C[NH2+][C@@](C)(CO)c1c(F)cccc1F ZINC000038121072 386124136 /nfs/dbraw/zinc/12/41/36/386124136.db2.gz BQDHPIDEDDPREW-JTQLQIEISA-N 1 0 201.216 1.392 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[N@H+](C2CSC2)[C@@H]1C ZINC000575565183 386060739 /nfs/dbraw/zinc/06/07/39/386060739.db2.gz GFUHQETXYAVSIY-QXFUBDJGSA-N 1 0 200.351 1.159 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2(CO)CCC2)[C@@H]2CCO[C@@H]21 ZINC000365490746 386130972 /nfs/dbraw/zinc/13/09/72/386130972.db2.gz JLZNCZZPNYTNRV-TUAOUCFPSA-N 1 0 239.359 1.552 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000300026761 386219492 /nfs/dbraw/zinc/21/94/92/386219492.db2.gz FSASGEGAIXYUNI-ZIAGYGMSSA-N 1 0 241.375 1.632 10 0 BDAERO C[C@H](C[NH3+])Nc1ccc(O)cc1Cl ZINC000575586327 386284656 /nfs/dbraw/zinc/28/46/56/386284656.db2.gz XQZBTTIFCJFSMG-ZCFIWIBFSA-N 1 0 200.669 1.805 10 0 BDAERO CN(C)C1(C[N@H+](C)CC2(O)CCC2)CCC1 ZINC000336663396 386284680 /nfs/dbraw/zinc/28/46/80/386284680.db2.gz PYLYOGJINCNSSU-UHFFFAOYSA-N 1 0 226.364 1.318 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1C/C(Cl)=C/Cl ZINC000575587222 386302887 /nfs/dbraw/zinc/30/28/87/386302887.db2.gz CNGNPVKYMURGRB-JHVZROJUSA-N 1 0 209.120 1.727 10 0 BDAERO CCOC[C@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000336650498 386263249 /nfs/dbraw/zinc/26/32/49/386263249.db2.gz SWZOTVWLAOUVEE-NSHDSACASA-N 1 0 213.321 1.260 10 0 BDAERO Cc1cnc(C[N@@H+]2CCC[C@H]2CCCO)nc1 ZINC000336722339 386447823 /nfs/dbraw/zinc/44/78/23/386447823.db2.gz ZYGLCHNLCVDJNW-LBPRGKRZSA-N 1 0 235.331 1.522 10 0 BDAERO Cc1cc[nH+]c(NCCCC(=O)NC2CC2)c1 ZINC000092996638 386392969 /nfs/dbraw/zinc/39/29/69/386392969.db2.gz JVDROBKYBPXCSU-UHFFFAOYSA-N 1 0 233.315 1.861 10 0 BDAERO CN(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336776849 386403542 /nfs/dbraw/zinc/40/35/42/386403542.db2.gz GUZLAWNCQCWRHF-QJPTWQEYSA-N 1 0 232.343 1.027 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000048775663 386417890 /nfs/dbraw/zinc/41/78/90/386417890.db2.gz NGODHZOWWYDCDY-SECBINFHSA-N 1 0 222.288 1.550 10 0 BDAERO COc1c(C[NH2+]C2CC(F)(F)C2)c(C)nn1C ZINC000277396353 386434339 /nfs/dbraw/zinc/43/43/39/386434339.db2.gz DOWXNMLIYOTQMH-UHFFFAOYSA-N 1 0 245.273 1.624 10 0 BDAERO C[C@@H]([NH2+]CC[C@H](O)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414439551 386470169 /nfs/dbraw/zinc/47/01/69/386470169.db2.gz LHCKLPBYQDKQNI-HXFLIBJXSA-N 1 0 225.254 1.934 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCCCF ZINC000399270126 386473079 /nfs/dbraw/zinc/47/30/79/386473079.db2.gz UBRHDTALVSIBIG-WDEREUQCSA-N 1 0 203.301 1.971 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)C1CC2(CCC2)C1 ZINC000335441535 386501488 /nfs/dbraw/zinc/50/14/88/386501488.db2.gz DCMTYCHBMIMCOA-NSHDSACASA-N 1 0 222.332 1.516 10 0 BDAERO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[C@@H](O)C1 ZINC000647971549 386506346 /nfs/dbraw/zinc/50/63/46/386506346.db2.gz NRUFHGJTOJVAKW-FVCCEPFGSA-N 1 0 237.343 1.733 10 0 BDAERO c1cn2c(n1)CN(CC[C@H]1CCC[NH2+]C1)CC2 ZINC000062252217 386507523 /nfs/dbraw/zinc/50/75/23/386507523.db2.gz LOTVJZITHJBQCK-GFCCVEGCSA-N 1 0 234.347 1.088 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1nccs1 ZINC000227841008 386517918 /nfs/dbraw/zinc/51/79/18/386517918.db2.gz FMFIBRNOGWBHOC-IWSPIJDZSA-N 1 0 212.318 1.971 10 0 BDAERO C[N@H+](C[C@H](O)C(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000336721314 386455112 /nfs/dbraw/zinc/45/51/12/386455112.db2.gz XRKZAEXRZSVLCL-OLZOCXBDSA-N 1 0 242.407 1.667 10 0 BDAERO Nc1cc(Cl)cc(Cl)c1NC1=[NH+]CCN1 ZINC000521401373 386459216 /nfs/dbraw/zinc/45/92/16/386459216.db2.gz KHEQUMCOEPCFKO-UHFFFAOYSA-N 1 0 245.113 1.947 10 0 BDAERO C[C@H]1OCC[C@H]1Nc1cc(N2CCCC2)ncn1 ZINC000277712662 386462429 /nfs/dbraw/zinc/46/24/29/386462429.db2.gz HEPAYMFDTZWEEN-GHMZBOCLSA-N 1 0 248.330 1.666 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1ccnc2ccccc21 ZINC000310802113 386463597 /nfs/dbraw/zinc/46/35/97/386463597.db2.gz YLLYKRFTGFQSRC-SNVBAGLBSA-N 1 0 243.310 1.573 10 0 BDAERO CC(C)n1cncc1C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399402528 386542247 /nfs/dbraw/zinc/54/22/47/386542247.db2.gz HEPVJDBLBMSOGT-WCQYABFASA-N 1 0 237.347 1.809 10 0 BDAERO CC(C)CCN(C)C(=O)[C@@H]1CC(F)(F)CN1 ZINC000645413422 386550669 /nfs/dbraw/zinc/55/06/69/386550669.db2.gz YBOWZRMHKADVCV-VIFPVBQESA-N 1 0 234.290 1.488 10 0 BDAERO COCC[C@H](COC)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000519767243 386552713 /nfs/dbraw/zinc/55/27/13/386552713.db2.gz YKIJJXBEVXQYLO-FRRDWIJNSA-N 1 0 244.379 1.016 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2CC=CC2)C1 ZINC000638490611 386617271 /nfs/dbraw/zinc/61/72/71/386617271.db2.gz BFQCIVJRMZPJIQ-WDEREUQCSA-N 1 0 208.305 1.196 10 0 BDAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cnccn1 ZINC000246661591 386670541 /nfs/dbraw/zinc/67/05/41/386670541.db2.gz DPDHHLSGAMGNQF-JBLDHEPKSA-N 1 0 221.304 1.695 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000645014976 386672149 /nfs/dbraw/zinc/67/21/49/386672149.db2.gz XSMJLZJZSRJPEH-HTAVTVPLSA-N 1 0 249.362 1.922 10 0 BDAERO C[C@H](Nc1ncnc2nc[nH]c21)[C@H]1CCC[NH2+]C1 ZINC000050163811 386687209 /nfs/dbraw/zinc/68/72/09/386687209.db2.gz GPCGCCHSQUKANU-IUCAKERBSA-N 1 0 246.318 1.153 10 0 BDAERO C[C@H](Nc1ncnc2nc[nH]c21)[C@@H]1CCC[NH2+]C1 ZINC000050163809 386687471 /nfs/dbraw/zinc/68/74/71/386687471.db2.gz GPCGCCHSQUKANU-DTWKUNHWSA-N 1 0 246.318 1.153 10 0 BDAERO CCO[C@H]([NH3+])Cc1cc(OC)c(F)cc1F ZINC000575448742 386740265 /nfs/dbraw/zinc/74/02/65/386740265.db2.gz NOZWVPJRMDKXGE-NSHDSACASA-N 1 0 231.242 1.837 10 0 BDAERO CCc1cc(CC)nc(N(C)C2CC([NH3+])C2)n1 ZINC000395000386 386795997 /nfs/dbraw/zinc/79/59/97/386795997.db2.gz FYTDQKJDPQDTLL-UHFFFAOYSA-N 1 0 234.347 1.527 10 0 BDAERO [NH3+][C@H]1CSC[C@H]1Cc1ccns1 ZINC000575449693 386788248 /nfs/dbraw/zinc/78/82/48/386788248.db2.gz MEPANXSPJHZQHB-SVRRBLITSA-N 1 0 200.332 1.376 10 0 BDAERO O=C(c1cccs1)[C@@H]1C[NH2+]CCS1 ZINC000575451855 386807697 /nfs/dbraw/zinc/80/76/97/386807697.db2.gz OLOAAXPFRGRDHN-QMMMGPOBSA-N 1 0 213.327 1.636 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000028878616 386848962 /nfs/dbraw/zinc/84/89/62/386848962.db2.gz DCHDESNNKYBSGR-UWVGGRQHSA-N 1 0 249.314 1.229 10 0 BDAERO Cc1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1C ZINC000334817982 386945923 /nfs/dbraw/zinc/94/59/23/386945923.db2.gz AKOLPRCXWRMGBD-LSDHHAIUSA-N 1 0 246.354 1.476 10 0 BDAERO CC(C)(C)[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398709012 386958745 /nfs/dbraw/zinc/95/87/45/386958745.db2.gz OBLYHHAHAVFHOX-WUHRBBMRSA-N 1 0 241.375 1.486 10 0 BDAERO CCn1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398727020 386969014 /nfs/dbraw/zinc/96/90/14/386969014.db2.gz FOYCHTYRAUEMAO-YNEHKIRRSA-N 1 0 249.358 1.496 10 0 BDAERO COC(C)(C)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398726833 386970062 /nfs/dbraw/zinc/97/00/62/386970062.db2.gz UJOVXHKNFFEKTC-YNEHKIRRSA-N 1 0 241.375 1.894 10 0 BDAERO Cc1cncc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1 ZINC000398727869 386972044 /nfs/dbraw/zinc/97/20/44/386972044.db2.gz FWGNROJXVGDODC-RRFJBIMHSA-N 1 0 246.354 1.983 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)[C@@H](C)O1 ZINC000395181443 386972106 /nfs/dbraw/zinc/97/21/06/386972106.db2.gz SRBLZXJQSFWLMW-VEGXAWMVSA-N 1 0 227.348 1.693 10 0 BDAERO Cn1nccc1CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398760699 386986159 /nfs/dbraw/zinc/98/61/59/386986159.db2.gz HIZMCGVDCGJVAW-SGMGOOAPSA-N 1 0 249.358 1.055 10 0 BDAERO Cc1ccncc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000334916193 386991589 /nfs/dbraw/zinc/99/15/89/386991589.db2.gz OENTZFVZHWPYEZ-JQWIXIFHSA-N 1 0 233.315 1.247 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3nccs3)C[C@H]2C1 ZINC000398805846 386996857 /nfs/dbraw/zinc/99/68/57/386996857.db2.gz SWLOAYJFQDSMIJ-HBNTYKKESA-N 1 0 238.356 1.736 10 0 BDAERO Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)n1 ZINC000398684910 386948904 /nfs/dbraw/zinc/94/89/04/386948904.db2.gz AMJHTTSWNPZANS-YDHLFZDLSA-N 1 0 246.354 1.983 10 0 BDAERO CC[NH2+][C@@H]1CO[C@@]2(CCS[C@@H]2C)C1 ZINC000575461108 387030824 /nfs/dbraw/zinc/03/08/24/387030824.db2.gz CCQOQOMNFZMDNY-UTLUCORTSA-N 1 0 201.335 1.649 10 0 BDAERO C[Si](C)(C)CC1([NH3+])CCC(O)CC1 ZINC000575459104 387035304 /nfs/dbraw/zinc/03/53/04/387035304.db2.gz JNNXRYKUHVYTCN-UHFFFAOYSA-N 1 0 201.386 1.957 10 0 BDAERO CN1CCO[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000250368164 387042260 /nfs/dbraw/zinc/04/22/60/387042260.db2.gz HFCLSNXNNDZCMZ-VXGBXAGGSA-N 1 0 206.289 1.017 10 0 BDAERO Cc1noc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000228063698 387063288 /nfs/dbraw/zinc/06/32/88/387063288.db2.gz MRLLYKMXAWHWFP-MWLCHTKSSA-N 1 0 236.319 1.047 10 0 BDAERO COC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398891496 387016031 /nfs/dbraw/zinc/01/60/31/387016031.db2.gz ZLLAPSNWSDJXPQ-BJDJZHNGSA-N 1 0 213.321 1.114 10 0 BDAERO CC(C)C(C)(C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648022923 387018513 /nfs/dbraw/zinc/01/85/13/387018513.db2.gz RCTINOJQLZYDSE-MNOVXSKESA-N 1 0 226.364 1.912 10 0 BDAERO Cc1ccoc1CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400559444 387071956 /nfs/dbraw/zinc/07/19/56/387071956.db2.gz HKCJJAFUDSFCOQ-GHMZBOCLSA-N 1 0 208.305 1.676 10 0 BDAERO CC(C)c1cc(NC(=O)[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000228340283 387083006 /nfs/dbraw/zinc/08/30/06/387083006.db2.gz CEURVEWFUFVDFK-VIFPVBQESA-N 1 0 236.319 1.471 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCOCC2 ZINC000186233191 387083425 /nfs/dbraw/zinc/08/34/25/387083425.db2.gz HESJWKTUQAWBJP-QWHCGFSZSA-N 1 0 239.359 1.960 10 0 BDAERO COCCC[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000066961529 387092157 /nfs/dbraw/zinc/09/21/57/387092157.db2.gz NROBLXNMJZGZTG-NSHDSACASA-N 1 0 233.352 1.131 10 0 BDAERO O=C(c1ccsn1)[C@@H]1C[NH2+]CCS1 ZINC000575472150 387111805 /nfs/dbraw/zinc/11/18/05/387111805.db2.gz IXBBOFSSSGIQOR-ZETCQYMHSA-N 1 0 214.315 1.031 10 0 BDAERO CCc1nc(CN[C@@H](C)[C@@H]2CC[NH2+]C2)cs1 ZINC000400566400 387120862 /nfs/dbraw/zinc/12/08/62/387120862.db2.gz IXDTUPRWAXDFCZ-VHSXEESVSA-N 1 0 239.388 1.793 10 0 BDAERO COC(=O)c1ccc([C@H]([NH3+])CCF)cc1 ZINC000575439710 387125664 /nfs/dbraw/zinc/12/56/64/387125664.db2.gz VIZIGFYUTFJQRY-SNVBAGLBSA-N 1 0 211.236 1.833 10 0 BDAERO C[C@@H]1C[NH+]=C(NCC(C)(F)F)SC1 ZINC000575479011 387158069 /nfs/dbraw/zinc/15/80/69/387158069.db2.gz DPGNQBDPHPSUDV-ZCFIWIBFSA-N 1 0 208.277 1.970 10 0 BDAERO CCCN1C(=O)c2ccccc2[C@@H]1C[NH3+] ZINC000536950267 387162342 /nfs/dbraw/zinc/16/23/42/387162342.db2.gz FGKRGPRGILAUFX-NSHDSACASA-N 1 0 204.273 1.552 10 0 BDAERO CCC[C@@]1(C[NH3+])COc2ccccc2O1 ZINC000536951542 387163515 /nfs/dbraw/zinc/16/35/15/387163515.db2.gz SKRCBSVFWKLKHV-GFCCVEGCSA-N 1 0 207.273 1.955 10 0 BDAERO CC(C)C[NH+](CC(C)C)[C@H]1CNCC[C@@H]1O ZINC000536952189 387164677 /nfs/dbraw/zinc/16/46/77/387164677.db2.gz ANCPKBYXVBQVOV-STQMWFEESA-N 1 0 228.380 1.323 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000187154387 387173271 /nfs/dbraw/zinc/17/32/71/387173271.db2.gz TXWGDLCSALSQOG-OLZOCXBDSA-N 1 0 227.348 1.506 10 0 BDAERO c1cnn(C[C@@H]2C[N@@H+](C3CCCC3)CCO2)c1 ZINC000120140639 387188728 /nfs/dbraw/zinc/18/87/28/387188728.db2.gz JDUVWNNZORFNER-ZDUSSCGKSA-N 1 0 235.331 1.527 10 0 BDAERO CC(C)[C@@H]1COC[C@]12[NH2+]CCCS2 ZINC000575482286 387189034 /nfs/dbraw/zinc/18/90/34/387189034.db2.gz QUIRTXNWHIHQHE-VHSXEESVSA-N 1 0 201.335 1.712 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000120327689 387232633 /nfs/dbraw/zinc/23/26/33/387232633.db2.gz HFBQNYZXKZNCGD-BFHYXJOUSA-N 1 0 242.407 1.977 10 0 BDAERO C[C@@H]1C[NH2+]C[C@]2(CCCSCC2)O1 ZINC000575484893 387252175 /nfs/dbraw/zinc/25/21/75/387252175.db2.gz JMUGQQYFICBNJZ-NXEZZACHSA-N 1 0 201.335 1.651 10 0 BDAERO CC(C)=CC[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000300333134 387196285 /nfs/dbraw/zinc/19/62/85/387196285.db2.gz GNXSUPVZLJCDAJ-QWHCGFSZSA-N 1 0 224.348 1.405 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)[C@H]1C[C@H]1C ZINC000321886281 387310356 /nfs/dbraw/zinc/31/03/56/387310356.db2.gz KLAJLQLTFPJDRK-ORMBPQIASA-N 1 0 210.321 1.288 10 0 BDAERO CC[C@@H](C)C[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000121229874 387316475 /nfs/dbraw/zinc/31/64/75/387316475.db2.gz PMVDGIPPFVWYGM-OLZOCXBDSA-N 1 0 228.380 1.421 10 0 BDAERO CC(C)[C@H](C)NC(=O)CN1[C@@H](C)COC[C@@H]1C ZINC000120868229 387277665 /nfs/dbraw/zinc/27/76/65/387277665.db2.gz YMOWDULMEKQGSZ-SRVKXCTJSA-N 1 0 242.363 1.256 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1ccc(=O)[nH]n1)C1CC1 ZINC000285797985 387278763 /nfs/dbraw/zinc/27/87/63/387278763.db2.gz VCZUICMVDYVEKO-SFYZADRCSA-N 1 0 207.277 1.219 10 0 BDAERO [NH3+][C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)CC[C@H]21 ZINC000575601740 387367154 /nfs/dbraw/zinc/36/71/54/387367154.db2.gz HLPLVCJGIOXVCR-ULAWRXDQSA-N 1 0 209.211 1.691 10 0 BDAERO [NH3+][C@@H]1CO[C@@H]2C[C@@H](C(F)(F)F)CC[C@@H]21 ZINC000575601736 387367231 /nfs/dbraw/zinc/36/72/31/387367231.db2.gz HLPLVCJGIOXVCR-LXGUWJNJSA-N 1 0 209.211 1.691 10 0 BDAERO [NH3+]C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)CC[C@H]12 ZINC000575601957 387368948 /nfs/dbraw/zinc/36/89/48/387368948.db2.gz JEFRPPRJBCCCNO-FNCVBFRFSA-N 1 0 223.238 1.939 10 0 BDAERO CCCCOCCOc1cnccc1C[NH3+] ZINC000162463961 387424357 /nfs/dbraw/zinc/42/43/57/387424357.db2.gz RLQZGIJUQMOYPW-UHFFFAOYSA-N 1 0 224.304 1.736 10 0 BDAERO [NH3+]C[C@H]1CCN1c1cccc(Br)c1 ZINC000575515826 387426462 /nfs/dbraw/zinc/42/64/62/387426462.db2.gz UCHKHWGJXLVTCF-SNVBAGLBSA-N 1 0 241.132 1.987 10 0 BDAERO [NH3+]C[C@H]1CCN1c1ccsc1Cl ZINC000575515865 387427259 /nfs/dbraw/zinc/42/72/59/387427259.db2.gz UQAYNACMUJMWJF-ZCFIWIBFSA-N 1 0 202.710 1.939 10 0 BDAERO N[C@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000035677033 387438120 /nfs/dbraw/zinc/43/81/20/387438120.db2.gz NQXWVAAAXWPKDX-SSDOTTSWSA-N 1 0 220.194 1.544 10 0 BDAERO C[C@@H]1CS[C@]2(C[N@H+](C)C(C)(C)C2)N1 ZINC000575520784 387450930 /nfs/dbraw/zinc/45/09/30/387450930.db2.gz HBBLVHVXYVPZFY-PSASIEDQSA-N 1 0 200.351 1.522 10 0 BDAERO CO[C@H](C)c1nsc(NC[C@H]([NH3+])C(C)C)n1 ZINC000304240683 387453580 /nfs/dbraw/zinc/45/35/80/387453580.db2.gz DEOSEDNIDQCPOJ-SFYZADRCSA-N 1 0 244.364 1.641 10 0 BDAERO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000304264852 387454472 /nfs/dbraw/zinc/45/44/72/387454472.db2.gz UPTDIBIHXFIUKW-VXGBXAGGSA-N 1 0 229.364 1.630 10 0 BDAERO C[C@H]1CC[N@H+](C[C@@H]2CNCCS2)C1 ZINC000575523943 387457938 /nfs/dbraw/zinc/45/79/38/387457938.db2.gz ZRYHGSOSBPGGFU-UWVGGRQHSA-N 1 0 200.351 1.033 10 0 BDAERO CC(C)n1ccnc1CN1CCC([NH3+])CC1 ZINC000336563365 387388915 /nfs/dbraw/zinc/38/89/15/387388915.db2.gz YMSHAXZHWRUSCU-UHFFFAOYSA-N 1 0 222.336 1.387 10 0 BDAERO Cc1c(F)c(Br)ccc1C(=[NH2+])NN ZINC000575509302 387391278 /nfs/dbraw/zinc/39/12/78/387391278.db2.gz WHTRJTGPIZBBSU-UHFFFAOYSA-N 1 0 246.083 1.685 10 0 BDAERO C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423638301 387392684 /nfs/dbraw/zinc/39/26/84/387392684.db2.gz IMAWLBMJBHEZPV-NTZNESFSSA-N 1 0 248.326 1.402 10 0 BDAERO Cc1cnn(CC[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000396916397 387515647 /nfs/dbraw/zinc/51/56/47/387515647.db2.gz PNQGOUPFDSJTNF-LLVKDONJSA-N 1 0 223.320 1.349 10 0 BDAERO COC(C)(C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000300045871 387522099 /nfs/dbraw/zinc/52/20/99/387522099.db2.gz BQIMIUNBUHAVKZ-GHMZBOCLSA-N 1 0 240.347 1.107 10 0 BDAERO O=C1c2ccccc2CCN1C1CC[NH2+]CC1 ZINC000039295345 387492449 /nfs/dbraw/zinc/49/24/49/387492449.db2.gz OPRUEOKLZSOCLC-UHFFFAOYSA-N 1 0 230.311 1.437 10 0 BDAERO C/C=C/C=C/C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740683 387581662 /nfs/dbraw/zinc/58/16/62/387581662.db2.gz DCKRWBGREZBGIA-PRFMEJNWSA-N 1 0 220.316 1.518 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)ccn1 ZINC000527539367 387608635 /nfs/dbraw/zinc/60/86/35/387608635.db2.gz NGPUMOIRPWTFIA-PWSUYJOCSA-N 1 0 233.315 1.147 10 0 BDAERO Cc1cc(C[N@H+]2CCC[C@H](O)[C@@H]2C)ccn1 ZINC000527540711 387611497 /nfs/dbraw/zinc/61/14/97/387611497.db2.gz VFNMIPKOISSYNL-AAEUAGOBSA-N 1 0 220.316 1.735 10 0 BDAERO C[C@@H]1CC[C@H](N(C)C(=[NH2+])NO)CS1 ZINC000575533250 387554561 /nfs/dbraw/zinc/55/45/61/387554561.db2.gz AZEWHCQZEKTCAJ-RQJHMYQMSA-N 1 0 203.311 1.116 10 0 BDAERO CC(C)(O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000125012300 387641820 /nfs/dbraw/zinc/64/18/20/387641820.db2.gz VCDJFBPVHLDLSU-XQQFMLRXSA-N 1 0 241.375 1.773 10 0 BDAERO [NH3+][C@@]1(c2cncs2)CCCSC1 ZINC000575554143 387659378 /nfs/dbraw/zinc/65/93/78/387659378.db2.gz DHZVRJQPTDJTNJ-QMMMGPOBSA-N 1 0 200.332 1.824 10 0 BDAERO COC(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000126295297 387677699 /nfs/dbraw/zinc/67/76/99/387677699.db2.gz GINWBHRRFNLUQG-YPMHNXCESA-N 1 0 241.331 1.177 10 0 BDAERO Cc1ncc([C@@]2([NH3+])CSC[C@@H]2C)s1 ZINC000575558269 387696498 /nfs/dbraw/zinc/69/64/98/387696498.db2.gz CDGDVAFFDHHZJK-IMTBSYHQSA-N 1 0 214.359 1.988 10 0 BDAERO [NH3+][C@@]1(c2ccsc2Cl)CCOC1 ZINC000575555313 387691399 /nfs/dbraw/zinc/69/13/99/387691399.db2.gz KDIKYJMWXKNHHC-QMMMGPOBSA-N 1 0 203.694 1.976 10 0 BDAERO C[C@@H]1CSC[C@]1([NH3+])Cc1ccns1 ZINC000575558870 387699236 /nfs/dbraw/zinc/69/92/36/387699236.db2.gz DRDCUBQUYINMBW-VXNVDRBHSA-N 1 0 214.359 1.766 10 0 BDAERO C[NH2+][C@@H]1CCN(C2CSC2)C[C@H]1C ZINC000575565089 387722789 /nfs/dbraw/zinc/72/27/89/387722789.db2.gz CLGLAHHNBGDJPS-PSASIEDQSA-N 1 0 200.351 1.032 10 0 BDAERO C[C@H]([NH3+])c1ncsc1Br ZINC000575571539 387735504 /nfs/dbraw/zinc/73/55/04/387735504.db2.gz XHCDPTKLAMYMHN-VKHMYHEASA-N 1 0 207.096 1.925 10 0 BDAERO CCC[C@]1([NH3+])CCCS(=O)(=O)CC1 ZINC000575567337 387736964 /nfs/dbraw/zinc/73/69/64/387736964.db2.gz HLMVVSWYRQQWDW-VIFPVBQESA-N 1 0 205.323 1.083 10 0 BDAERO COC(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)OC ZINC000128204451 387739353 /nfs/dbraw/zinc/73/93/53/387739353.db2.gz YBVHMTGLFHLEBM-DGCLKSJQSA-N 1 0 243.347 1.232 10 0 BDAERO CC(C)CC[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000300945868 387787443 /nfs/dbraw/zinc/78/74/43/387787443.db2.gz NRRWJVFJSDGKPY-VXGBXAGGSA-N 1 0 224.348 1.776 10 0 BDAERO CC[C@H](C)[NH2+][C@H]1CCc2nc(C)cn2C1 ZINC000151016311 387792187 /nfs/dbraw/zinc/79/21/87/387792187.db2.gz SXRMZESPJNFIHC-ONGXEEELSA-N 1 0 207.321 1.894 10 0 BDAERO COc1cc([C@](C)(F)C[NH3+])cc(OC)c1OC ZINC000575623134 387807469 /nfs/dbraw/zinc/80/74/69/387807469.db2.gz BWMBUGKPASKCHZ-GFCCVEGCSA-N 1 0 243.278 1.856 10 0 BDAERO CC[NH2+]CCCNc1ncncc1Cl ZINC000163671225 387851394 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ZINC000071518083 388444247 /nfs/dbraw/zinc/44/42/47/388444247.db2.gz OIBZAXFXBMIBKQ-LLVKDONJSA-N 1 0 210.708 1.916 10 0 BDAERO Cc1cccnc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000334746135 388447680 /nfs/dbraw/zinc/44/76/80/388447680.db2.gz NXANFEXXKXVLQU-ZYHUDNBSSA-N 1 0 220.316 1.593 10 0 BDAERO CCC[C@H]([NH2+]C[C@H]1CN(C)CCO1)C1CCC1 ZINC000322867083 388449349 /nfs/dbraw/zinc/44/93/49/388449349.db2.gz VHEXXMWCUHHGIM-KBPBESRZSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)cn1 ZINC000335363287 388450201 /nfs/dbraw/zinc/45/02/01/388450201.db2.gz PVBXSNVMODNUPE-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO Cc1cccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)n1 ZINC000335586394 388451696 /nfs/dbraw/zinc/45/16/96/388451696.db2.gz NUNWSRRNUINYGH-GXFFZTMASA-N 1 0 220.316 1.593 10 0 BDAERO Cc1cncc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000335598155 388452146 /nfs/dbraw/zinc/45/21/46/388452146.db2.gz USZGMZKZXKYKGA-CMPLNLGQSA-N 1 0 233.315 1.717 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)nc1 ZINC000336173036 388456644 /nfs/dbraw/zinc/45/66/44/388456644.db2.gz SAQPRVPMJZMPJV-CMPLNLGQSA-N 1 0 233.315 1.147 10 0 BDAERO Fc1ccc2onc(CN3CC[NH2+]CC3)c2c1 ZINC000083108035 256750463 /nfs/dbraw/zinc/75/04/63/256750463.db2.gz CZPKRGDCCMXQRB-UHFFFAOYSA-N 1 0 235.262 1.372 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccn1C ZINC000177027576 388470855 /nfs/dbraw/zinc/47/08/55/388470855.db2.gz IHCQYBLKDPSMAA-GFCCVEGCSA-N 1 0 249.358 1.581 10 0 BDAERO FC(F)(F)C(F)(F)CCN1CC[NH2+]CC1 ZINC000575410902 388473106 /nfs/dbraw/zinc/47/31/06/388473106.db2.gz AKQKKNYPPULEOO-UHFFFAOYSA-N 1 0 232.196 1.479 10 0 BDAERO Cc1cnc(C[NH2+]C[C@@H]2CCC[C@@H]2O)s1 ZINC000295751112 388412983 /nfs/dbraw/zinc/41/29/83/388412983.db2.gz PNUHBHBJRNEWBM-UWVGGRQHSA-N 1 0 226.345 1.702 10 0 BDAERO O=C1C[N@H+](C2CCCC2)[C@@H]2CCCC[C@@H]2N1 ZINC000245619972 388426139 /nfs/dbraw/zinc/42/61/39/388426139.db2.gz NLAMATHBVPFPMK-NWDGAFQWSA-N 1 0 222.332 1.672 10 0 BDAERO [NH3+]C[C@H](O)Cc1c(F)cccc1Cl ZINC000041212402 388433310 /nfs/dbraw/zinc/43/33/10/388433310.db2.gz CTWIGWAVXJENAC-ZCFIWIBFSA-N 1 0 203.644 1.341 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1C(=O)c2ccccc2C1=O ZINC000070463670 388436834 /nfs/dbraw/zinc/43/68/34/388436834.db2.gz KJORDDPJVLFJNF-NSHDSACASA-N 1 0 232.283 1.266 10 0 BDAERO CCc1ccc([C@@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000070459821 388437001 /nfs/dbraw/zinc/43/70/01/388437001.db2.gz PKJZLFBXZPQNFW-HNNXBMFYSA-N 1 0 249.354 1.739 10 0 BDAERO [NH3+][C@H]1CCN(c2cc(-c3cccc(F)c3)[nH]n2)C1 ZINC000070460237 388437035 /nfs/dbraw/zinc/43/70/35/388437035.db2.gz ZLZXAADUBVBPAQ-NSHDSACASA-N 1 0 246.289 1.753 10 0 BDAERO CC(C)C1([NH2+]CC(=O)N(C)C2CC2)CC1 ZINC000339512985 388484740 /nfs/dbraw/zinc/48/47/40/388484740.db2.gz ONECJZZGDNHXBN-UHFFFAOYSA-N 1 0 210.321 1.385 10 0 BDAERO Cc1nocc1C[NH2+]CC[C@@H]1CCCO1 ZINC000378731898 388489411 /nfs/dbraw/zinc/48/94/11/388489411.db2.gz DNQYPRSRRIHMLE-NSHDSACASA-N 1 0 210.277 1.642 10 0 BDAERO c1cnc2c(c1)nccc2N[C@H]1CCC[NH2+]C1 ZINC000341011427 388493709 /nfs/dbraw/zinc/49/37/09/388493709.db2.gz GDBWJIZNZMEKPG-JTQLQIEISA-N 1 0 228.299 1.216 10 0 BDAERO CC[C@]1([NH2+]C[C@@H]2CCC[C@@H](O)C2)CCOC1 ZINC000378826246 388515505 /nfs/dbraw/zinc/51/55/05/388515505.db2.gz HPBLKJOULRKKAA-UPJWGTAASA-N 1 0 227.348 1.696 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)[C@H]2CCCCO2)c1 ZINC000379275100 388604951 /nfs/dbraw/zinc/60/49/51/388604951.db2.gz YWJBHQWZTJVJDQ-CHWSQXEVSA-N 1 0 237.347 1.739 10 0 BDAERO CCC[C@H](C)C[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000245846893 388608056 /nfs/dbraw/zinc/60/80/56/388608056.db2.gz LLPPNROAUQVQIQ-MJBXVCDLSA-N 1 0 242.407 1.810 10 0 BDAERO C[C@H](C[S@@](C)=O)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000370529541 388570727 /nfs/dbraw/zinc/57/07/27/388570727.db2.gz UUXROHPILURNEJ-PGWWLILMSA-N 1 0 245.388 1.157 10 0 BDAERO C[C@H]1[C@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000107155221 388616209 /nfs/dbraw/zinc/61/62/09/388616209.db2.gz ZEGUGBZHMDGDJD-IUCAKERBSA-N 1 0 214.309 1.591 10 0 BDAERO CC[C@H](COC)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000248201828 388675475 /nfs/dbraw/zinc/67/54/75/388675475.db2.gz YYSYODUUMJMKFU-QJPTWQEYSA-N 1 0 215.337 1.552 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000125993948 388685171 /nfs/dbraw/zinc/68/51/71/388685171.db2.gz GMFJBNUFKOJFRV-CYBMUJFWSA-N 1 0 236.363 1.302 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2cncn2C)C1 ZINC000247022199 388657844 /nfs/dbraw/zinc/65/78/44/388657844.db2.gz HLMNQKFDOHQEQZ-WCQYABFASA-N 1 0 236.363 1.238 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000227749438 388757221 /nfs/dbraw/zinc/75/72/21/388757221.db2.gz GFQJVQICVKSDLB-WUHRBBMRSA-N 1 0 227.348 1.431 10 0 BDAERO CC/C=C/CC[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000248635621 388687309 /nfs/dbraw/zinc/68/73/09/388687309.db2.gz VGKOEQDIHVEILY-GJBLVYBDSA-N 1 0 240.391 1.995 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248659047 388689233 /nfs/dbraw/zinc/68/92/33/388689233.db2.gz UUBQNIRPYJINNG-JHJVBQTASA-N 1 0 229.364 1.894 10 0 BDAERO CC[C@H](C)[N@@H+]1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000249391262 388719410 /nfs/dbraw/zinc/71/94/10/388719410.db2.gz RQJQBAGTFDZLRH-RWMBFGLXSA-N 1 0 228.380 1.562 10 0 BDAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)CCO1 ZINC000226433473 388719705 /nfs/dbraw/zinc/71/97/05/388719705.db2.gz GBCUXOBXLUEVMA-XQHKEYJVSA-N 1 0 227.348 1.957 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)[C@H]1CCCO1 ZINC000249507901 388725288 /nfs/dbraw/zinc/72/52/88/388725288.db2.gz YXNVQTVXPOJHDG-XHNCKOQMSA-N 1 0 241.253 1.457 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@H](C)SC ZINC000227896372 388761832 /nfs/dbraw/zinc/76/18/32/388761832.db2.gz XDICAHWNALIGMA-WDEREUQCSA-N 1 0 235.393 1.505 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000228010602 388764516 /nfs/dbraw/zinc/76/45/16/388764516.db2.gz IKHOMBZLBLHOCE-OUAUKWLOSA-N 1 0 210.321 1.385 10 0 BDAERO COc1nsc([C@H]2C[C@H]2[NH3+])c1Br ZINC000575467296 388838859 /nfs/dbraw/zinc/83/88/59/388838859.db2.gz RGUAZAQCQHPCFW-IUYQGCFVSA-N 1 0 249.133 1.729 10 0 BDAERO Cn1ncc(NC2CC([NH3+])C2)c1Br ZINC000575479576 388862232 /nfs/dbraw/zinc/86/22/32/388862232.db2.gz OQVIUHGFGNETAH-UHFFFAOYSA-N 1 0 245.124 1.084 10 0 BDAERO O=C(c1ccsn1)[C@H]1C[NH2+]CCS1 ZINC000575472149 388850709 /nfs/dbraw/zinc/85/07/09/388850709.db2.gz IXBBOFSSSGIQOR-SSDOTTSWSA-N 1 0 214.315 1.031 10 0 BDAERO Cn1nc(Br)cc1C[C@H]1CC[NH2+]C1 ZINC000575501589 388990428 /nfs/dbraw/zinc/99/04/28/388990428.db2.gz BKSOQBPFIYMXNA-SSDOTTSWSA-N 1 0 244.136 1.335 10 0 BDAERO O[C@H](c1occc1Br)[C@H]1CC[NH2+]C1 ZINC000575508872 389001879 /nfs/dbraw/zinc/00/18/79/389001879.db2.gz SRCLZGCBUIZVCL-XPUUQOCRSA-N 1 0 246.104 1.685 10 0 BDAERO CC[NH2+][C@@H]1CO[C@@]2(CS[C@@H](C)C2)C1 ZINC000575511205 389008741 /nfs/dbraw/zinc/00/87/41/389008741.db2.gz NXOGICZFXZTTGC-LPEHRKFASA-N 1 0 201.335 1.649 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1c1cccc(C[NH3+])n1 ZINC000051396864 132360275 /nfs/dbraw/zinc/36/02/75/132360275.db2.gz VXOGYOPBNJQISI-ZJUUUORDSA-N 1 0 221.304 1.154 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1ncccc1C(F)(F)F ZINC000054374851 132364384 /nfs/dbraw/zinc/36/43/84/132364384.db2.gz MNKQEBSQBKMCHY-QMMMGPOBSA-N 1 0 245.248 1.899 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1ncccc1O ZINC000095072417 132429169 /nfs/dbraw/zinc/42/91/69/132429169.db2.gz UKRUROHPYQKPMK-SECBINFHSA-N 1 0 207.277 1.105 10 0 BDAERO [NH3+]C[C@@H]1CCCN(c2nccc(Cl)n2)C1 ZINC000095072496 132430004 /nfs/dbraw/zinc/43/00/04/132430004.db2.gz NIWOOSHYAZCVBA-QMMMGPOBSA-N 1 0 226.711 1.305 10 0 BDAERO COc1ncccc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401961450 533258411 /nfs/dbraw/zinc/25/84/11/533258411.db2.gz OMNLFAOPPBSCDA-JQWIXIFHSA-N 1 0 236.315 1.293 10 0 BDAERO Cc1ccc(C[NH2+]CC2CC(O)C2)s1 ZINC000084446628 322835345 /nfs/dbraw/zinc/83/53/45/322835345.db2.gz XHSDTLLDZHIFDI-UHFFFAOYSA-N 1 0 211.330 1.917 10 0 BDAERO CC(C)[C@H]1C[C@H]([NH2+]CC2CC(O)C2)CCO1 ZINC000084447516 322835732 /nfs/dbraw/zinc/83/57/32/322835732.db2.gz MFGQUMAQVWXJFX-POOIEITISA-N 1 0 227.348 1.551 10 0 BDAERO Cc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])nc(C)n1 ZINC000070178357 132230457 /nfs/dbraw/zinc/23/04/57/132230457.db2.gz CBTHQLFKKDOPOO-CABZTGNLSA-N 1 0 234.347 1.657 10 0 BDAERO CC[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000124475617 132297745 /nfs/dbraw/zinc/29/77/45/132297745.db2.gz CQDTWRNJMBGZMT-ZYHUDNBSSA-N 1 0 248.326 1.455 10 0 BDAERO CCCc1cc(N2CCC(C[NH3+])CC2)nc(C)n1 ZINC000045954875 132299219 /nfs/dbraw/zinc/29/92/19/132299219.db2.gz CIDZSNNHLFHIOX-UHFFFAOYSA-N 1 0 248.374 1.913 10 0 BDAERO Cc1nc(C(C)C)nc(N2CC[NH2+]CC2)c1C ZINC000045950741 132299336 /nfs/dbraw/zinc/29/93/36/132299336.db2.gz WRBFEXXKYRUUSN-UHFFFAOYSA-N 1 0 234.347 1.626 10 0 BDAERO CCCc1cc(N2CC[NH2+]CC2)nc(C(C)C)n1 ZINC000045950738 132299411 /nfs/dbraw/zinc/29/94/11/132299411.db2.gz OHYRATIZRQKPAL-UHFFFAOYSA-N 1 0 248.374 1.962 10 0 BDAERO Clc1nc2ncccc2c(N2CC[NH2+]CC2)n1 ZINC000073736463 132303562 /nfs/dbraw/zinc/30/35/62/132303562.db2.gz MXZLMGXTOUSVOS-UHFFFAOYSA-N 1 0 249.705 1.088 10 0 BDAERO C[N@@H+]1CC[C@]12CCCN(c1cccnc1)C2 ZINC000036460105 132312367 /nfs/dbraw/zinc/31/23/67/132312367.db2.gz LRDCSKNSMGZKBX-ZDUSSCGKSA-N 1 0 217.316 1.756 10 0 BDAERO NC(=[NH2+])CCN1CCN(c2ccccc2)CC1 ZINC000019432321 132324798 /nfs/dbraw/zinc/32/47/98/132324798.db2.gz DZFVJEAPBLZPMT-UHFFFAOYSA-N 1 0 232.331 1.135 10 0 BDAERO C[C@@H]1CCCCN1c1ncccc1C(N)=[NH2+] ZINC000019505692 132325647 /nfs/dbraw/zinc/32/56/47/132325647.db2.gz STNUQOPCORZFRF-SECBINFHSA-N 1 0 218.304 1.744 10 0 BDAERO [NH3+]C1CCN(c2cc(F)cc(F)c2)CC1 ZINC000019506920 132325709 /nfs/dbraw/zinc/32/57/09/132325709.db2.gz CDXUIVYVYXNIOC-UHFFFAOYSA-N 1 0 212.243 1.892 10 0 BDAERO Nc1c[nH+]ccc1N1CCC2(CC1)OCCO2 ZINC000019763584 132327019 /nfs/dbraw/zinc/32/70/19/132327019.db2.gz BIXRUXOJWCKEQY-UHFFFAOYSA-N 1 0 235.287 1.007 10 0 BDAERO C[C@H]1CN(c2ccccc2C[NH3+])CCO1 ZINC000020075544 132329299 /nfs/dbraw/zinc/32/92/99/132329299.db2.gz MTZVJKSKVCNHKG-JTQLQIEISA-N 1 0 206.289 1.370 10 0 BDAERO C[NH+]1CCN(c2ccccc2C(N)=S)CC1 ZINC000020075684 132329368 /nfs/dbraw/zinc/32/93/68/132329368.db2.gz ULBAJIRPHWLUOE-UHFFFAOYSA-N 1 0 235.356 1.073 10 0 BDAERO C[NH+]1CCN(c2cccc3[nH]cnc32)CC1 ZINC000026391197 132333523 /nfs/dbraw/zinc/33/35/23/132333523.db2.gz VNORITPQZHTCHX-UHFFFAOYSA-N 1 0 216.288 1.315 10 0 BDAERO C[C@H]1COCCN1c1ccccc1C[NH3+] ZINC000035773378 132339155 /nfs/dbraw/zinc/33/91/55/132339155.db2.gz LWUWGMVVSBIKLV-JTQLQIEISA-N 1 0 206.289 1.370 10 0 BDAERO C[C@@H]1C[NH2+]CCN1c1ccc(F)c(F)c1 ZINC000035855169 132340105 /nfs/dbraw/zinc/34/01/05/132340105.db2.gz QJFFHGINEPHZKD-MRVPVSSYSA-N 1 0 212.243 1.763 10 0 BDAERO Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]cc1N ZINC000036250863 132341786 /nfs/dbraw/zinc/34/17/86/132341786.db2.gz BUXXQVCOSZXBGX-AOOOYVTPSA-N 1 0 221.304 1.586 10 0 BDAERO CC[C@H]1COCCN1c1ncccc1C[NH3+] ZINC000036322227 132341998 /nfs/dbraw/zinc/34/19/98/132341998.db2.gz PQCDZQYRXHOBIO-NSHDSACASA-N 1 0 221.304 1.156 10 0 BDAERO CC[C@H]1COCCN1c1cc(C[NH3+])ccn1 ZINC000036322210 132342077 /nfs/dbraw/zinc/34/20/77/132342077.db2.gz DAUGHFWXMIJFIW-NSHDSACASA-N 1 0 221.304 1.156 10 0 BDAERO Cc1nnc(N2CCSCC2)c(C[NH3+])c1C ZINC000040290400 132347366 /nfs/dbraw/zinc/34/73/66/132347366.db2.gz YQQZTPPFIPDQOT-UHFFFAOYSA-N 1 0 238.360 1.105 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040431798 132347567 /nfs/dbraw/zinc/34/75/67/132347567.db2.gz WYYOYWWJTSGFQN-LSDHHAIUSA-N 1 0 245.370 1.688 10 0 BDAERO Cc1cccc2c1N(C(=O)[C@H](C)[NH3+])CCC2 ZINC000040856228 132348462 /nfs/dbraw/zinc/34/84/62/132348462.db2.gz PPVSVHGTENUDKF-JTQLQIEISA-N 1 0 218.300 1.621 10 0 BDAERO [NH3+]CCOc1cccc(N2CCCOC2=O)c1 ZINC000041158296 132349615 /nfs/dbraw/zinc/34/96/15/132349615.db2.gz ZFHBDXVVZIUORF-UHFFFAOYSA-N 1 0 236.271 1.371 10 0 BDAERO O=C(N1CC[NH2+]CC1)N1CCCc2ccccc21 ZINC000041296156 132349934 /nfs/dbraw/zinc/34/99/34/132349934.db2.gz WAGBNKKLBTYLQG-UHFFFAOYSA-N 1 0 245.326 1.464 10 0 BDAERO C[NH2+]C1CCN(c2cc(C)ccn2)CC1 ZINC000043561262 132353364 /nfs/dbraw/zinc/35/33/64/132353364.db2.gz CNSOERCBDOSGNT-UHFFFAOYSA-N 1 0 205.305 1.578 10 0 BDAERO CN1CCCc2cc(CCC[NH3+])ccc21 ZINC000044282975 132354020 /nfs/dbraw/zinc/35/40/20/132354020.db2.gz MCDKQEPKMSUVCR-UHFFFAOYSA-N 1 0 204.317 1.960 10 0 BDAERO [NH3+]CC1CCN(c2nncc3ccccc32)CC1 ZINC000044514807 132354320 /nfs/dbraw/zinc/35/43/20/132354320.db2.gz BEVXFFMKPQJCHN-UHFFFAOYSA-N 1 0 242.326 1.805 10 0 BDAERO CN1CCCc2cc(C(=[NH2+])NO)ccc21 ZINC000050286037 132358827 /nfs/dbraw/zinc/35/88/27/132358827.db2.gz CQFKASMHETWDOV-UHFFFAOYSA-N 1 0 205.261 1.373 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1c1cccc(C[NH3+])n1 ZINC000051397956 132360401 /nfs/dbraw/zinc/36/04/01/132360401.db2.gz KGLWCFODCUFIGW-ZYHUDNBSSA-N 1 0 235.331 1.544 10 0 BDAERO C[NH2+]Cc1cccc(N2CCOC[C@H]2C)n1 ZINC000051443923 132361063 /nfs/dbraw/zinc/36/10/63/132361063.db2.gz VYHNJPIQFANEAY-SNVBAGLBSA-N 1 0 221.304 1.026 10 0 BDAERO Cc1ccc(C[NH3+])c(N2CCC[C@@H](O)C2)c1 ZINC000051579046 132361650 /nfs/dbraw/zinc/36/16/50/132361650.db2.gz HHTKCBHDELEBDZ-GFCCVEGCSA-N 1 0 220.316 1.415 10 0 BDAERO [NH2+]=C(NC1CC1)N1CCN(c2ccccc2)CC1 ZINC000052036467 132361950 /nfs/dbraw/zinc/36/19/50/132361950.db2.gz RHVHQWLKPPRAAD-UHFFFAOYSA-N 1 0 244.342 1.495 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1c1ccncn1 ZINC000053698546 132363090 /nfs/dbraw/zinc/36/30/90/132363090.db2.gz XROMEDVFXPQJHQ-LLVKDONJSA-N 1 0 220.320 1.445 10 0 BDAERO CC[NH2+]C[C@@H]1CCCCN1c1ccncn1 ZINC000053698543 132363192 /nfs/dbraw/zinc/36/31/92/132363192.db2.gz XROMEDVFXPQJHQ-NSHDSACASA-N 1 0 220.320 1.445 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1nc(C)cnc1C ZINC000053706734 132363334 /nfs/dbraw/zinc/36/33/34/132363334.db2.gz MHYIYUQWIJMGLH-LBPRGKRZSA-N 1 0 234.347 1.672 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C)cn1 ZINC000053706600 132363342 /nfs/dbraw/zinc/36/33/42/132363342.db2.gz VPYQRHJZZCXVHF-LBPRGKRZSA-N 1 0 219.332 1.968 10 0 BDAERO C[C@@H]1C[NH2+]CCN1c1ncccc1C(F)(F)F ZINC000054374850 132364246 /nfs/dbraw/zinc/36/42/46/132364246.db2.gz MNKQEBSQBKMCHY-MRVPVSSYSA-N 1 0 245.248 1.899 10 0 BDAERO C[C@@H]1C[C@@H](C)CCN1c1nccnc1C[NH3+] ZINC000054378219 132364620 /nfs/dbraw/zinc/36/46/20/132364620.db2.gz DWSJIAYKCVSARC-VHSXEESVSA-N 1 0 220.320 1.560 10 0 BDAERO C[NH+]1CCN(c2ccc(Cl)nc2)CC1 ZINC000062465342 132387718 /nfs/dbraw/zinc/38/77/18/132387718.db2.gz FZBDVWVDKZQPJJ-UHFFFAOYSA-N 1 0 211.696 1.487 10 0 BDAERO CC1(C)CCN(c2cc(C(N)=[NH2+])ccn2)CC1 ZINC000061820286 132387141 /nfs/dbraw/zinc/38/71/41/132387141.db2.gz KBQFBBJXIXVEQL-UHFFFAOYSA-N 1 0 232.331 1.992 10 0 BDAERO Cc1cnc(N2CCC[C@H](C[NH2+]C3CC3)C2)nc1 ZINC000063049344 132388885 /nfs/dbraw/zinc/38/88/85/132388885.db2.gz IBWINAPGTLSHKS-GFCCVEGCSA-N 1 0 246.358 1.753 10 0 BDAERO [NH3+]CC1CCN(c2ncncc2Cl)CC1 ZINC000163561936 132454714 /nfs/dbraw/zinc/45/47/14/132454714.db2.gz AJRLXJVOZCHTCE-UHFFFAOYSA-N 1 0 226.711 1.305 10 0 BDAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000083526226 133526981 /nfs/dbraw/zinc/52/69/81/133526981.db2.gz PYMZZDUEBCCRSV-SDDRHHMPSA-N 1 0 213.321 1.713 10 0 BDAERO CC(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000252710153 133650653 /nfs/dbraw/zinc/65/06/53/133650653.db2.gz FVDSEHDVRDQANH-IJLUTSLNSA-N 1 0 224.348 1.618 10 0 BDAERO CCN1CCC[N@@H+]([C@H]2CC[C@@H](C)C2)CC1=O ZINC000335929190 134009967 /nfs/dbraw/zinc/00/99/67/134009967.db2.gz SDWXOTPQVNBEIB-NEPJUHHUSA-N 1 0 224.348 1.729 10 0 BDAERO C[C@@H]1CC[C@H]([NH+]2CCN(c3nccn3C)CC2)C1 ZINC000336033821 134058988 /nfs/dbraw/zinc/05/89/88/134058988.db2.gz MRRLCRTTZPOTEW-OLZOCXBDSA-N 1 0 248.374 1.731 10 0 BDAERO CO[C@@H]1COC[C@@H]1[N@@H+]1CCCC(C)(C)C1 ZINC000336201771 134130974 /nfs/dbraw/zinc/13/09/74/134130974.db2.gz KXEJTZWFXUMGFY-WDEREUQCSA-N 1 0 213.321 1.522 10 0 BDAERO C(c1nc(C2CC2)no1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171640133 134257564 /nfs/dbraw/zinc/25/75/64/134257564.db2.gz VXEHWXGZAMGEHX-NSHDSACASA-N 1 0 248.330 1.227 10 0 BDAERO Cc1nnc([C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000171638619 134257682 /nfs/dbraw/zinc/25/76/82/134257682.db2.gz QKFSOAXSXONCHL-MWLCHTKSSA-N 1 0 236.319 1.219 10 0 BDAERO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1C[Si](C)(C)C ZINC000172022067 134264543 /nfs/dbraw/zinc/26/45/43/134264543.db2.gz OVHSPMRWZBSOGZ-NXEZZACHSA-N 1 0 245.395 1.126 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000172305322 134265480 /nfs/dbraw/zinc/26/54/80/134265480.db2.gz QZAUNANCJIIDQE-NEPJUHHUSA-N 1 0 242.363 1.068 10 0 BDAERO C[C@@H](CC(=O)N(C)C1C[NH2+]C1)C(C)(C)C ZINC000085257619 134269553 /nfs/dbraw/zinc/26/95/53/134269553.db2.gz HIDAPPBAHRDRSZ-VIFPVBQESA-N 1 0 212.337 1.489 10 0 BDAERO Cc1[nH]ccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000175950076 134288732 /nfs/dbraw/zinc/28/87/32/134288732.db2.gz NINUSFFESORMNX-UHFFFAOYSA-N 1 0 247.342 1.633 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000178589877 134311685 /nfs/dbraw/zinc/31/16/85/134311685.db2.gz KHIMSSQZFMZUJH-WDEREUQCSA-N 1 0 212.337 1.476 10 0 BDAERO CCC[C@H](C(=O)N[C@H]1CCCOC1)[NH+](C)C ZINC000178657767 134312530 /nfs/dbraw/zinc/31/25/30/134312530.db2.gz PZENKINSBIXZMG-WDEREUQCSA-N 1 0 228.336 1.012 10 0 BDAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2CCOC2)o1 ZINC000220920782 134314884 /nfs/dbraw/zinc/31/48/84/134314884.db2.gz JBCIHIVNGNQMSL-VHSXEESVSA-N 1 0 210.277 1.670 10 0 BDAERO C[NH2+]C1CCN(C(=O)C[C@@H](C)C(C)C)CC1 ZINC000179145156 134317437 /nfs/dbraw/zinc/31/74/37/134317437.db2.gz YWDIXWIYQYGFKB-LLVKDONJSA-N 1 0 226.364 1.879 10 0 BDAERO COC(=O)[C@H](C)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000221015938 134318055 /nfs/dbraw/zinc/31/80/55/134318055.db2.gz AHSNPFSNAYXLSC-OUAUKWLOSA-N 1 0 227.304 1.049 10 0 BDAERO Cc1c(C[NH2+][C@@]2(C)CCCOC2)cnn1C ZINC000221354209 134320705 /nfs/dbraw/zinc/32/07/05/134320705.db2.gz XKTRWAQEBAYSRK-LBPRGKRZSA-N 1 0 223.320 1.387 10 0 BDAERO Cc1c(NC(=O)[C@]2(C)CCCC[NH2+]2)cnn1C ZINC000180964557 134332406 /nfs/dbraw/zinc/33/24/06/134332406.db2.gz MFDFUJSRQOHRIO-LBPRGKRZSA-N 1 0 236.319 1.199 10 0 BDAERO COC[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000222740065 134334245 /nfs/dbraw/zinc/33/42/45/134334245.db2.gz XQQDUAXWSZYASX-XQQFMLRXSA-N 1 0 228.380 1.730 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc[nH]n1 ZINC000184054494 134359725 /nfs/dbraw/zinc/35/97/25/134359725.db2.gz CYZRHBXBBJUWPO-CHWSQXEVSA-N 1 0 234.347 1.468 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cc(Cl)ccn1 ZINC000226673922 134368534 /nfs/dbraw/zinc/36/85/34/134368534.db2.gz BOAOSHOGQHUWOA-VXNVDRBHSA-N 1 0 239.706 1.529 10 0 BDAERO Cc1nccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)n1 ZINC000227558885 134383397 /nfs/dbraw/zinc/38/33/97/134383397.db2.gz JDBGNYSOMKFAFC-PWSUYJOCSA-N 1 0 221.304 1.036 10 0 BDAERO CCc1nsc(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000227738139 134385726 /nfs/dbraw/zinc/38/57/26/134385726.db2.gz MECRHPIAZILTTR-VIFPVBQESA-N 1 0 242.392 1.910 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000227847871 134390905 /nfs/dbraw/zinc/39/09/05/134390905.db2.gz KYHIASLVTSKTFE-DBIOUOCHSA-N 1 0 231.361 1.340 10 0 BDAERO O=C(CC1CCC1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186510028 134422425 /nfs/dbraw/zinc/42/24/25/134422425.db2.gz QSFJDQVKWOHEEP-GFCCVEGCSA-N 1 0 236.359 1.920 10 0 BDAERO Cc1nccc(C[NH2+]C[C@H]2CC[C@H](C)O2)n1 ZINC000148606816 134448299 /nfs/dbraw/zinc/44/82/99/134448299.db2.gz GPZFJXQWRGGFBD-JOYOIKCWSA-N 1 0 221.304 1.442 10 0 BDAERO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1cn[nH]c1 ZINC000231033946 134539086 /nfs/dbraw/zinc/53/90/86/134539086.db2.gz MYWVCVVXZYBVHQ-SECBINFHSA-N 1 0 244.298 1.359 10 0 BDAERO COCCCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000234735962 134584480 /nfs/dbraw/zinc/58/44/80/134584480.db2.gz DRXKEMHGHRHBCZ-NEPJUHHUSA-N 1 0 242.363 1.307 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000235716997 134612529 /nfs/dbraw/zinc/61/25/29/134612529.db2.gz GONNEGQALWQZEK-IRCOFANPSA-N 1 0 240.347 1.058 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000052762493 134712599 /nfs/dbraw/zinc/71/25/99/134712599.db2.gz TWGSIKZPAKIYNA-CQSZACIVSA-N 1 0 234.343 1.861 10 0 BDAERO [NH3+]C1CCN(C(=O)C(F)(F)C(F)(F)F)CC1 ZINC000236223111 134822831 /nfs/dbraw/zinc/82/28/31/134822831.db2.gz LAYPLLKZKVUVSF-UHFFFAOYSA-N 1 0 246.179 1.134 10 0 BDAERO CCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509792 134844026 /nfs/dbraw/zinc/84/40/26/134844026.db2.gz PCGRAAWXBBAWTE-UHFFFAOYSA-N 1 0 237.347 1.465 10 0 BDAERO C[C@@H](CCC[NH3+])Nc1ncc(Cl)cn1 ZINC000168159722 134875255 /nfs/dbraw/zinc/87/52/55/134875255.db2.gz KZKGISHIKYODJZ-ZETCQYMHSA-N 1 0 214.700 1.669 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248554766 135003757 /nfs/dbraw/zinc/00/37/57/135003757.db2.gz KDEXAMKNVRAGRC-UONOGXRCSA-N 1 0 240.391 1.564 10 0 BDAERO CC1(C)CCC([NH2+]CCc2nnc[nH]2)CC1 ZINC000070646237 135003915 /nfs/dbraw/zinc/00/39/15/135003915.db2.gz MFFLXCLURKSOLF-UHFFFAOYSA-N 1 0 222.336 1.906 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248554764 135004215 /nfs/dbraw/zinc/00/42/15/135004215.db2.gz KDEXAMKNVRAGRC-KBPBESRZSA-N 1 0 240.391 1.564 10 0 BDAERO 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398017630 /nfs/dbraw/zinc/01/76/30/398017630.db2.gz DLPRPYSIJPJMCM-CHWSQXEVSA-N 1 0 248.326 1.518 10 0 BDAERO CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000388627586 398047846 /nfs/dbraw/zinc/04/78/46/398047846.db2.gz HNPUVOCHNQMCLL-KXNHARMFSA-N 1 0 224.348 1.537 10 0 BDAERO CC1(C)CN(C(=O)C2CCC([NH3+])CC2)CCO1 ZINC000037626485 398023275 /nfs/dbraw/zinc/02/32/75/398023275.db2.gz LRCPLBSMMPKMPQ-UHFFFAOYSA-N 1 0 240.347 1.141 10 0 BDAERO c1ccc([C@H]2C[NH2+]C[C@H]2COCC2CC2)nc1 ZINC000582469061 398041377 /nfs/dbraw/zinc/04/13/77/398041377.db2.gz IXVILJHHVJFQSV-STQMWFEESA-N 1 0 232.327 1.811 10 0 BDAERO c1ccc([C@H]2C[NH2+]C[C@@H]2COCC2CC2)nc1 ZINC000582469060 398041580 /nfs/dbraw/zinc/04/15/80/398041580.db2.gz IXVILJHHVJFQSV-OLZOCXBDSA-N 1 0 232.327 1.811 10 0 BDAERO COCc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000382793502 397977324 /nfs/dbraw/zinc/97/73/24/397977324.db2.gz XYCZZFHVKZQUER-CABZTGNLSA-N 1 0 224.304 1.205 10 0 BDAERO COCc1ccc(CN2CCCC[C@H]2C[NH3+])o1 ZINC000382797594 397977379 /nfs/dbraw/zinc/97/73/79/397977379.db2.gz YQKUHYPOWNBUHS-NSHDSACASA-N 1 0 238.331 1.739 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1ccc(O)c(Cl)c1 ZINC000043476848 397981361 /nfs/dbraw/zinc/98/13/61/397981361.db2.gz IPUGKVJPQIZAMO-ANLVUFKYSA-N 1 0 201.653 1.426 10 0 BDAERO C[C@H]([NH3+])[C@@H](N1CCC[C@@H]1C)C(F)(F)F ZINC000218293205 397984059 /nfs/dbraw/zinc/98/40/59/397984059.db2.gz UXARALZQVCQLPP-BIIVOSGPSA-N 1 0 210.243 1.749 10 0 BDAERO C[NH+](C)C[C@@H](NC(=O)C(F)F)c1ccccc1 ZINC000218911118 398043571 /nfs/dbraw/zinc/04/35/71/398043571.db2.gz NMMPNBXCMHQHGC-SNVBAGLBSA-N 1 0 242.269 1.671 10 0 BDAERO CC[C@H](COC)[NH2+][C@H]1CCCn2ncnc21 ZINC000122707850 398092768 /nfs/dbraw/zinc/09/27/68/398092768.db2.gz SEBXHNSOSRXREL-ZJUUUORDSA-N 1 0 224.308 1.128 10 0 BDAERO CCOc1nccnc1NCCC1(C[NH3+])CC1 ZINC000650302084 398080186 /nfs/dbraw/zinc/08/01/86/398080186.db2.gz STXJVMXHHQTDCH-UHFFFAOYSA-N 1 0 236.319 1.416 10 0 BDAERO O[C@@H](C1CCCC1)[C@H]1C[NH2+]CCS1 ZINC000575499883 398103558 /nfs/dbraw/zinc/10/35/58/398103558.db2.gz FYMNJBFXADXPTA-ZJUUUORDSA-N 1 0 201.335 1.243 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)[C@@H](C)O1 ZINC000384882921 398115135 /nfs/dbraw/zinc/11/51/35/398115135.db2.gz KEWKSZCBNIEOSE-KKOKHZNYSA-N 1 0 240.347 1.201 10 0 BDAERO C/C=C/C[NH2+]C[C@@H](O)COCCCC ZINC000384705808 398123964 /nfs/dbraw/zinc/12/39/64/398123964.db2.gz CBUJLUBRNFAZOB-JOAKQRRISA-N 1 0 201.310 1.330 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncnc2c1CCCC2 ZINC000389721796 398129231 /nfs/dbraw/zinc/12/92/31/398129231.db2.gz HBABWPJVZOPMAQ-MFKMUULPSA-N 1 0 246.358 1.765 10 0 BDAERO CCOc1cncc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630531262 398131987 /nfs/dbraw/zinc/13/19/87/398131987.db2.gz AKKOXOVPWXFCHO-ZJUUUORDSA-N 1 0 236.319 1.428 10 0 BDAERO CC(C)[NH2+]CCCO[C@H](C)C(=O)NC(C)(C)C ZINC000051863421 167101884 /nfs/dbraw/zinc/10/18/84/167101884.db2.gz NCMFTMGKFHPDFA-LLVKDONJSA-N 1 0 244.379 1.694 10 0 BDAERO CC(C)[NH2+]CCN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000309654968 167107402 /nfs/dbraw/zinc/10/74/02/167107402.db2.gz YVAGZOWYYAXKNI-WCQYABFASA-N 1 0 226.364 1.484 10 0 BDAERO CC(C)[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000038115564 167135793 /nfs/dbraw/zinc/13/57/93/167135793.db2.gz GHEMZINFHDTCPR-CYBMUJFWSA-N 1 0 205.301 1.818 10 0 BDAERO CC(C)[NH2+][C@]1(c2nccs2)CCN(C)C1 ZINC000061991904 167142650 /nfs/dbraw/zinc/14/26/50/167142650.db2.gz FJFUSOQHSMVVER-LLVKDONJSA-N 1 0 225.361 1.672 10 0 BDAERO C[C@H]([N@H+](C)C[C@@H]1CCC[C@H](O)C1)C(C)(C)O ZINC000382820385 487557026 /nfs/dbraw/zinc/55/70/26/487557026.db2.gz XCRJRZNTDKUVRX-TUAOUCFPSA-N 1 0 229.364 1.629 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C)C1 ZINC000392891427 487557716 /nfs/dbraw/zinc/55/77/16/487557716.db2.gz NNYJQHHJZGOXAZ-KXNHARMFSA-N 1 0 240.347 1.201 10 0 BDAERO CC(C)Nc1nc(N)[nH+]c(NC(C)C)n1 ZINC000002018484 167149248 /nfs/dbraw/zinc/14/92/48/167149248.db2.gz YNLOWUSCXIJRCB-UHFFFAOYSA-N 1 0 210.285 1.094 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2ncnc3c2CCCC3)C1 ZINC000094872490 487560981 /nfs/dbraw/zinc/56/09/81/487560981.db2.gz IVEYOVVUMJSDTM-NSHDSACASA-N 1 0 246.358 1.401 10 0 BDAERO CC(C)OC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042536 167168935 /nfs/dbraw/zinc/16/89/35/167168935.db2.gz XTVFMBZWXWQXAU-LBPRGKRZSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@H](NC(=O)CC1([NH3+])CCC1)C(C)C ZINC000086853470 487566474 /nfs/dbraw/zinc/56/64/74/487566474.db2.gz UBWIBZYQJWEUPV-JTQLQIEISA-N 1 0 212.337 1.809 10 0 BDAERO CCC[N@H+](CCO)C[C@@H]1CCC[C@@H](O)C1 ZINC000308919680 487581633 /nfs/dbraw/zinc/58/16/33/487581633.db2.gz OPUGKDKOGBNLJO-VXGBXAGGSA-N 1 0 215.337 1.242 10 0 BDAERO Cc1nnc(N2CCC[C@@H](C)[C@H]2C[NH3+])s1 ZINC000228065540 487582761 /nfs/dbraw/zinc/58/27/61/487582761.db2.gz GDTJKNZIKMNWKY-VXNVDRBHSA-N 1 0 226.349 1.410 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336735261 167257159 /nfs/dbraw/zinc/25/71/59/167257159.db2.gz HYHJXULHWMJHIE-OUAUKWLOSA-N 1 0 228.336 1.057 10 0 BDAERO CC(C)OC[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339501218 167269558 /nfs/dbraw/zinc/26/95/58/167269558.db2.gz FXRMUGXDQJQWKN-LLVKDONJSA-N 1 0 215.337 1.551 10 0 BDAERO CC[N@H+](CCCO)C[C@H]1CCC[C@H](O)C1 ZINC000308946637 487596950 /nfs/dbraw/zinc/59/69/50/487596950.db2.gz WIFVFFZTTOXSBF-RYUDHWBXSA-N 1 0 215.337 1.242 10 0 BDAERO CC(C)S(=O)(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000037657496 167319235 /nfs/dbraw/zinc/31/92/35/167319235.db2.gz JYBGZAHEIZTPEU-VIFPVBQESA-N 1 0 242.344 1.856 10 0 BDAERO COC(C[NH2+]Cc1ccccc1F)OC ZINC000037388269 409737928 /nfs/dbraw/zinc/73/79/28/409737928.db2.gz JXTHPHBIDVOCBW-UHFFFAOYSA-N 1 0 213.252 1.534 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C[C@@H]1[NH3+] ZINC000662572240 409765272 /nfs/dbraw/zinc/76/52/72/409765272.db2.gz MWVCAFCYPAFDNX-JCIQBVFBSA-N 1 0 222.332 1.228 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1O ZINC000308839375 409910234 /nfs/dbraw/zinc/91/02/34/409910234.db2.gz XYWVOVKKFPPWCO-GMTAPVOTSA-N 1 0 215.337 1.144 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)c1cn(C)c2ccccc12 ZINC000653137489 409859088 /nfs/dbraw/zinc/85/90/88/409859088.db2.gz AANIGGZRQIEHIH-JTQLQIEISA-N 1 0 245.326 1.516 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000660902970 409948259 /nfs/dbraw/zinc/94/82/59/409948259.db2.gz TWIJQRLUKZRLSE-SYQHCUMBSA-N 1 0 239.359 1.648 10 0 BDAERO CN(C(=O)c1ccoc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978768 410003309 /nfs/dbraw/zinc/00/33/09/410003309.db2.gz RWGAWXPJBWOZOB-ZETCQYMHSA-N 1 0 236.193 1.241 10 0 BDAERO Brc1cc2c([nH]1)C[NH2+]CC2 ZINC000082382351 166096116 /nfs/dbraw/zinc/09/61/16/166096116.db2.gz VEZPECUSAMEPTF-UHFFFAOYSA-N 1 0 201.067 1.423 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ncnc2sccc21 ZINC000663279213 410094715 /nfs/dbraw/zinc/09/47/15/410094715.db2.gz PXWKENJUDRAEFZ-ZETCQYMHSA-N 1 0 222.317 1.711 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nc2ccccc2[nH]1 ZINC000663280778 410096005 /nfs/dbraw/zinc/09/60/05/410096005.db2.gz MIXUUCGBEQDWQW-MRVPVSSYSA-N 1 0 204.277 1.583 10 0 BDAERO Cc1ccnc(N2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000227201786 487613694 /nfs/dbraw/zinc/61/36/94/487613694.db2.gz BVRFJCWBEJCNGI-VXGBXAGGSA-N 1 0 219.332 1.954 10 0 BDAERO Cc1nccc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000227201751 487613779 /nfs/dbraw/zinc/61/37/79/487613779.db2.gz NQLMTYCOHHHFHY-GXSJLCMTSA-N 1 0 220.320 1.349 10 0 BDAERO Brc1cnc([C@@H]2CC[NH2+]C2)s1 ZINC000044122176 166105058 /nfs/dbraw/zinc/10/50/58/166105058.db2.gz GNRBGSKHWBQTIH-RXMQYKEDSA-N 1 0 233.134 1.983 10 0 BDAERO Cc1cc(N(C)C2CC[NH2+]CC2)nc(C)n1 ZINC000212405273 410270086 /nfs/dbraw/zinc/27/00/86/410270086.db2.gz BVCNAWIDUYONQF-UHFFFAOYSA-N 1 0 220.320 1.282 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H]1CSC1(C)C ZINC000669582411 487614773 /nfs/dbraw/zinc/61/47/73/487614773.db2.gz BGMJSZYMGCOAIM-IWSPIJDZSA-N 1 0 243.376 1.012 10 0 BDAERO C[C@H](C1CC1)N(C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000127480892 410331538 /nfs/dbraw/zinc/33/15/38/410331538.db2.gz MUUDWIJFUXZKNS-MFKMUULPSA-N 1 0 224.348 1.776 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000129162571 410369755 /nfs/dbraw/zinc/36/97/55/410369755.db2.gz IGOIJYDUGMZVMX-SSDOTTSWSA-N 1 0 224.308 1.254 10 0 BDAERO Cc1n[nH]c(C)c1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335598071 410450971 /nfs/dbraw/zinc/45/09/71/410450971.db2.gz SNHJPLFQCDPEJX-XVKPBYJWSA-N 1 0 236.319 1.353 10 0 BDAERO CCc1cc(N[C@@H]2CC[N@@H+](CC)C2)ncn1 ZINC000389400826 487617691 /nfs/dbraw/zinc/61/76/91/487617691.db2.gz KRNBPHXGKUWKNA-LLVKDONJSA-N 1 0 220.320 1.545 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1C(F)F ZINC000328579523 166673715 /nfs/dbraw/zinc/67/37/15/166673715.db2.gz NELXAXGZHDIZMC-BQBZGAKWSA-N 1 0 221.247 1.429 10 0 BDAERO CCC[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)OC ZINC000393920309 410768345 /nfs/dbraw/zinc/76/83/45/410768345.db2.gz QWEVKXMIQACKIH-XQQFMLRXSA-N 1 0 229.364 1.942 10 0 BDAERO CC(C)CCNC(=O)COCCC[NH2+]C(C)C ZINC000051863958 166846223 /nfs/dbraw/zinc/84/62/23/166846223.db2.gz AZVOZVSFOVCCTR-UHFFFAOYSA-N 1 0 244.379 1.553 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H](C)CC(F)F ZINC000655484139 410748400 /nfs/dbraw/zinc/74/84/00/410748400.db2.gz RHHVXMSSDVHXRS-NKWVEPMBSA-N 1 0 208.252 1.002 10 0 BDAERO CCOC[C@H]([NH2+]C[C@@H]1CCCN1C)C(C)C ZINC000395474553 410855482 /nfs/dbraw/zinc/85/54/82/410855482.db2.gz JJSKRQMFNYXTDM-STQMWFEESA-N 1 0 228.380 1.731 10 0 BDAERO CC(C)CNC(=[NH2+])Cc1csc(N)n1 ZINC000026470210 166979945 /nfs/dbraw/zinc/97/99/45/166979945.db2.gz OEVUOJZORHFNTF-UHFFFAOYSA-N 1 0 212.322 1.491 10 0 BDAERO Cc1cc(N[C@@H](CC[NH3+])C(F)F)nc(C)n1 ZINC000394776164 410822289 /nfs/dbraw/zinc/82/22/89/410822289.db2.gz HUXNNDQFCPSECH-QMMMGPOBSA-N 1 0 230.262 1.488 10 0 BDAERO CC(C)C[NH2+]CC1CCN(c2ccncn2)CC1 ZINC000053691642 167003152 /nfs/dbraw/zinc/00/31/52/167003152.db2.gz NPWZRCMFBUITSK-UHFFFAOYSA-N 1 0 248.374 1.939 10 0 BDAERO CC(C)C[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000033465979 167007271 /nfs/dbraw/zinc/00/72/71/167007271.db2.gz XVKFKVGULGEORR-LLVKDONJSA-N 1 0 237.299 1.694 10 0 BDAERO CC(C)COC(=O)N1CC[NH2+]CC1(C)C ZINC000062571605 167020941 /nfs/dbraw/zinc/02/09/41/167020941.db2.gz IGWBOBLRBDZLNZ-UHFFFAOYSA-N 1 0 214.309 1.463 10 0 BDAERO CC(C)COC(=O)c1cccc(C[NH3+])c1 ZINC000019722434 167023488 /nfs/dbraw/zinc/02/34/88/167023488.db2.gz RMNUZSLTXXMJPZ-UHFFFAOYSA-N 1 0 207.273 1.958 10 0 BDAERO CC(C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106453502 167084025 /nfs/dbraw/zinc/08/40/25/167084025.db2.gz GVSBFRYKPZCAOV-ZDUSSCGKSA-N 1 0 234.343 1.684 10 0 BDAERO CC(C)[NH2+]C1(C(N)=O)Cc2ccccc2C1 ZINC000037869277 167092430 /nfs/dbraw/zinc/09/24/30/167092430.db2.gz YPTBIXMEZXLFNU-UHFFFAOYSA-N 1 0 218.300 1.007 10 0 BDAERO CC(C)[NH2+]C1(CO)Cc2ccccc2C1 ZINC000038115864 167094988 /nfs/dbraw/zinc/09/49/88/167094988.db2.gz BKLCREASSAKMAT-UHFFFAOYSA-N 1 0 205.301 1.514 10 0 BDAERO CC(C)[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000037815454 167096707 /nfs/dbraw/zinc/09/67/07/167096707.db2.gz ZYJMDLHORAZKKM-VXGBXAGGSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1CCc2ncccc2C1 ZINC000037643357 167099483 /nfs/dbraw/zinc/09/94/83/167099483.db2.gz XYEYKYQYOZOAOQ-UHFFFAOYSA-N 1 0 247.342 1.354 10 0 BDAERO CC(C)[NH2+]CCN1C(=O)CC2(CCCC2)C1=O ZINC000054268023 167103590 /nfs/dbraw/zinc/10/35/90/167103590.db2.gz PJSALTUCIRGBQJ-UHFFFAOYSA-N 1 0 238.331 1.304 10 0 BDAERO CC(C)[NH2+]Cc1nnc(-c2ccncc2)o1 ZINC000050616083 167122925 /nfs/dbraw/zinc/12/29/25/167122925.db2.gz PGYRUPFOOBRXTJ-UHFFFAOYSA-N 1 0 218.260 1.630 10 0 BDAERO CC(C)[NH2+][C@H]1CCCN(C(F)(F)F)C1 ZINC000095088397 167140125 /nfs/dbraw/zinc/14/01/25/167140125.db2.gz HHKKJRSOQFIKKF-QMMMGPOBSA-N 1 0 210.243 1.969 10 0 BDAERO CC(C)[NH2+][C@@H](CO)c1ccc2c(c1)CCO2 ZINC000038115860 167133192 /nfs/dbraw/zinc/13/31/92/167133192.db2.gz YEFDMOJMXBYFRR-LBPRGKRZSA-N 1 0 221.300 1.653 10 0 BDAERO CC(C)N[C@H](C(N)=O)c1c(F)cccc1F ZINC000037869320 167137416 /nfs/dbraw/zinc/13/74/16/167137416.db2.gz RDDXOWAUSZIYGU-JTQLQIEISA-N 1 0 228.242 1.489 10 0 BDAERO CC[NH+](CC)CCNc1ccc(OC)nc1 ZINC000020035014 169782453 /nfs/dbraw/zinc/78/24/53/169782453.db2.gz WVOBVTJNQZKVPW-UHFFFAOYSA-N 1 0 223.320 1.844 10 0 BDAERO CC(C)OC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000044528769 167161243 /nfs/dbraw/zinc/16/12/43/167161243.db2.gz KZEXDCKTGHOYCG-VIFPVBQESA-N 1 0 200.282 1.202 10 0 BDAERO CC(C)OC1=N[C@H](C[NH3+])CC(OC2CC2)=C1 ZINC000095737953 167176148 /nfs/dbraw/zinc/17/61/48/167176148.db2.gz IGHZWXVRMDATKE-VIFPVBQESA-N 1 0 224.304 1.604 10 0 BDAERO CC(C)OCCC[N@@H+]1CC[C@H](CCO)C1 ZINC000336651255 167215782 /nfs/dbraw/zinc/21/57/82/167215782.db2.gz UWMKCWJNTCJESA-GFCCVEGCSA-N 1 0 215.337 1.506 10 0 BDAERO CC(C)OCCN1CCC[NH2+]C(C)(C)C1 ZINC000062571852 167230877 /nfs/dbraw/zinc/23/08/77/167230877.db2.gz RNNUZZPYVJFDSF-UHFFFAOYSA-N 1 0 214.353 1.485 10 0 BDAERO CC(C)OCCOc1ccc2c(c1)OC[C@@H]2[NH3+] ZINC000062803501 167248841 /nfs/dbraw/zinc/24/88/41/167248841.db2.gz GINPAOZCZJTTMD-LBPRGKRZSA-N 1 0 237.299 1.883 10 0 BDAERO CC(C)Oc1cccc([C@H](O)[C@H](C)[NH3+])c1 ZINC000040641198 167308609 /nfs/dbraw/zinc/30/86/09/167308609.db2.gz OHKYGZFSPGKHSH-JOYOIKCWSA-N 1 0 209.289 1.854 10 0 BDAERO CC(C)Oc1cccc2[nH+]c(N)nc(N)c21 ZINC000027518556 167308666 /nfs/dbraw/zinc/30/86/66/167308666.db2.gz GDAXGQRXBAMZFU-UHFFFAOYSA-N 1 0 218.260 1.581 10 0 BDAERO CC(C)Oc1ncccc1NC(=O)[C@@H](C)C[NH3+] ZINC000054345169 167314090 /nfs/dbraw/zinc/31/40/90/167314090.db2.gz TUUSBLSCFDPIPH-VIFPVBQESA-N 1 0 237.303 1.402 10 0 BDAERO CC(C)[C@@H](C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000236657829 167355800 /nfs/dbraw/zinc/35/58/00/167355800.db2.gz SSMCQJHCOAFOIS-UWVGGRQHSA-N 1 0 200.326 1.380 10 0 BDAERO CC(C)[C@@H](C[NH2+]C[C@@H]1CCCCN1C)N(C)C ZINC000054240291 167398613 /nfs/dbraw/zinc/39/86/13/167398613.db2.gz KCZFIPFRVMPFHJ-UONOGXRCSA-N 1 0 241.423 1.647 10 0 BDAERO CCC[C@@H](N)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000309515107 410956419 /nfs/dbraw/zinc/95/64/19/410956419.db2.gz YLAUFDHSQWEDKO-SFYZADRCSA-N 1 0 210.281 1.294 10 0 BDAERO CC(C)Oc1ncccc1CNC1CC[NH2+]CC1 ZINC000042391592 410999346 /nfs/dbraw/zinc/99/93/46/410999346.db2.gz QGRFLCMSFMVIGP-UHFFFAOYSA-N 1 0 249.358 1.710 10 0 BDAERO CC(C)c1ccc(C[C@H](C[NH3+])CO)cc1 ZINC000011978508 167601095 /nfs/dbraw/zinc/60/10/95/167601095.db2.gz TVWLWBDPJNATPT-GFCCVEGCSA-N 1 0 207.317 1.920 10 0 BDAERO C[C@H]([NH3+])CNc1nc2cccc(F)c2o1 ZINC000107207823 411132801 /nfs/dbraw/zinc/13/28/01/411132801.db2.gz JNUFPQFOZTYEFB-LURJTMIESA-N 1 0 209.224 1.726 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000302407131 411137133 /nfs/dbraw/zinc/13/71/33/411137133.db2.gz KLLNMIVZWOWJGP-NWDGAFQWSA-N 1 0 244.379 1.110 10 0 BDAERO CC1(C)[C@H]([NH2+]C2CC(CO)C2)[C@H]2CCCO[C@@H]21 ZINC000658356808 411157621 /nfs/dbraw/zinc/15/76/21/411157621.db2.gz PGTQUUGUYXRVJE-ABLIHOLZSA-N 1 0 239.359 1.551 10 0 BDAERO CC[C@@H](NC(=O)CCCC[NH3+])C(C)C ZINC000069733873 411159318 /nfs/dbraw/zinc/15/93/18/411159318.db2.gz RLOKIGJFVJJUQQ-SNVBAGLBSA-N 1 0 200.326 1.666 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1Cc2ccc(OC)cc2C1 ZINC000655504233 411113762 /nfs/dbraw/zinc/11/37/62/411113762.db2.gz NVLSPHVNVPIVCI-SECBINFHSA-N 1 0 234.299 1.145 10 0 BDAERO C[C@@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000043595199 411123854 /nfs/dbraw/zinc/12/38/54/411123854.db2.gz ARIDVEAXENCTKM-YGRLFVJLSA-N 1 0 244.338 1.788 10 0 BDAERO C[C@H]([NH3+])c1cnn(C[C@@H]2CCCCO2)c1 ZINC000054716919 411174845 /nfs/dbraw/zinc/17/48/45/411174845.db2.gz ZAEZLBAMKOTXHL-ONGXEEELSA-N 1 0 209.293 1.472 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@H](O)C1 ZINC000660124195 411242788 /nfs/dbraw/zinc/24/27/88/411242788.db2.gz JOXJACYNIMCQJW-RFGFWPKPSA-N 1 0 241.375 1.630 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCNC(=O)C2)o1 ZINC000111826014 411181557 /nfs/dbraw/zinc/18/15/57/411181557.db2.gz NRWGYPYWFOELRD-MNOVXSKESA-N 1 0 236.315 1.907 10 0 BDAERO CC[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000128964604 411193774 /nfs/dbraw/zinc/19/37/74/411193774.db2.gz NZHPUHLCCXDOCN-GHMZBOCLSA-N 1 0 212.337 1.761 10 0 BDAERO CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C(C)C ZINC000129006442 411198521 /nfs/dbraw/zinc/19/85/21/411198521.db2.gz ZOWHCOXIGBRTDE-GHMZBOCLSA-N 1 0 214.353 1.911 10 0 BDAERO Cc1cnc(CC[NH2+]C2CC[NH2+]CC2)c(C)c1 ZINC000656201406 411205720 /nfs/dbraw/zinc/20/57/20/411205720.db2.gz WXZQIJRXFRRAJX-UHFFFAOYSA-N 1 0 233.359 1.583 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658033982 411209432 /nfs/dbraw/zinc/20/94/32/411209432.db2.gz FMJQUHCPUTZBFS-NEPJUHHUSA-N 1 0 224.348 1.382 10 0 BDAERO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)no1 ZINC000247492752 411209969 /nfs/dbraw/zinc/20/99/69/411209969.db2.gz UIPZJQGTSCVMPX-MFKMUULPSA-N 1 0 235.331 1.652 10 0 BDAERO CC(C)n1ncc2c1C(=O)CC1(CC[NH2+]CC1)C2 ZINC000091691801 167784939 /nfs/dbraw/zinc/78/49/39/167784939.db2.gz ZFXCIWPVPUPDMF-UHFFFAOYSA-N 1 0 247.342 1.963 10 0 BDAERO Cc1nnsc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000309735567 411219206 /nfs/dbraw/zinc/21/92/06/411219206.db2.gz GKYSAIMDNNHLJS-NXEZZACHSA-N 1 0 241.360 1.487 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C ZINC000128845210 411246856 /nfs/dbraw/zinc/24/68/56/411246856.db2.gz FCGCXFRPYLPOIF-QWRGUYRKSA-N 1 0 212.337 1.761 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC=CCC1 ZINC000129112791 411229957 /nfs/dbraw/zinc/22/99/57/411229957.db2.gz LQJRMGSSEITURO-WDEREUQCSA-N 1 0 210.321 1.585 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC000660476290 411230240 /nfs/dbraw/zinc/23/02/40/411230240.db2.gz DYLGOXYASVIWRV-PWSUYJOCSA-N 1 0 224.348 1.823 10 0 BDAERO CC(C)=CCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000660478090 411231760 /nfs/dbraw/zinc/23/17/60/411231760.db2.gz MKLRIJMUXDXCET-GHMZBOCLSA-N 1 0 210.321 1.599 10 0 BDAERO COC1(CC[NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC000310521594 411239480 /nfs/dbraw/zinc/23/94/80/411239480.db2.gz WXASZLCIZUZCMI-LLVKDONJSA-N 1 0 229.364 1.942 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2c[nH]nc2N)C1 ZINC000616661375 411240157 /nfs/dbraw/zinc/24/01/57/411240157.db2.gz RHVHGPHCAFDUQN-SECBINFHSA-N 1 0 238.335 1.206 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccnc(N)c2)C1 ZINC000616658935 411240171 /nfs/dbraw/zinc/24/01/71/411240171.db2.gz ABAKGDSWIIFVKR-LBPRGKRZSA-N 1 0 249.358 1.878 10 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CN(CC(C)(C)[NH3+])c1ncnc2sccc21 ZINC000656608803 411307295 /nfs/dbraw/zinc/30/72/95/411307295.db2.gz IUVSPXNSLYXGLX-UHFFFAOYSA-N 1 0 236.344 1.865 10 0 BDAERO [NH3+]CC12CC(C1)CN2c1nnc(C(F)F)s1 ZINC000656610809 411308329 /nfs/dbraw/zinc/30/83/29/411308329.db2.gz KOJJBBXFQYYOJM-UHFFFAOYSA-N 1 0 246.286 1.403 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ccncc1Cl ZINC000656609611 411308556 /nfs/dbraw/zinc/30/85/56/411308556.db2.gz RFNFGVFWYSMENM-UHFFFAOYSA-N 1 0 213.712 1.909 10 0 BDAERO Cc1cc2c(NCC3([NH3+])CCCC3)nccn2n1 ZINC000656610667 411308974 /nfs/dbraw/zinc/30/89/74/411308974.db2.gz NBVGDHBADVAEHT-UHFFFAOYSA-N 1 0 245.330 1.721 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccoc1 ZINC000658241556 411309233 /nfs/dbraw/zinc/30/92/33/411309233.db2.gz DOYHCWRZSFCPAD-VHSXEESVSA-N 1 0 222.288 1.409 10 0 BDAERO C[C@H]1C[C@H](C[NH3+])CN1c1ncnc2c1CCCC2 ZINC000216172695 411349916 /nfs/dbraw/zinc/34/99/16/411349916.db2.gz CXNWQGZWQRMDDA-WDEREUQCSA-N 1 0 246.358 1.529 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662038624 411353075 /nfs/dbraw/zinc/35/30/75/411353075.db2.gz WPEXYFYVCBTIOO-SRVKXCTJSA-N 1 0 213.321 1.116 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccccn1 ZINC000658352910 411356386 /nfs/dbraw/zinc/35/63/86/411356386.db2.gz BVXSTIHOIPGHEV-WHXUTIOJSA-N 1 0 206.289 1.503 10 0 BDAERO C[C@H]1C[C@H]([NH2+]C2CC(CO)C2)c2nccn21 ZINC000658352998 411356929 /nfs/dbraw/zinc/35/69/29/411356929.db2.gz JCOPBWMLHJZXHD-PMUOWJKOSA-N 1 0 221.304 1.249 10 0 BDAERO CC1(C)CN(Cc2cccnc2)C[C@@H](C[NH3+])O1 ZINC000011632421 167960959 /nfs/dbraw/zinc/96/09/59/167960959.db2.gz GGLWBHPOVJRMIQ-GFCCVEGCSA-N 1 0 235.331 1.020 10 0 BDAERO C[C@H]1CCCN(c2ccccn2)[C@@H]1C[NH3+] ZINC000069727367 411357878 /nfs/dbraw/zinc/35/78/78/411357878.db2.gz XNLPDVFSADBFIP-WDEREUQCSA-N 1 0 205.305 1.645 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)[C@@H](C)CO1 ZINC000403754830 411358712 /nfs/dbraw/zinc/35/87/12/411358712.db2.gz GEDLSBVMXFHAIS-LOWVWBTDSA-N 1 0 240.347 1.154 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000403796456 411360030 /nfs/dbraw/zinc/36/00/30/411360030.db2.gz GPFKVHSJRNURHA-WISYIIOYSA-N 1 0 240.347 1.140 10 0 BDAERO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CCO1 ZINC000069862570 411361055 /nfs/dbraw/zinc/36/10/55/411361055.db2.gz AJAXDDCKNXFSMP-UTUOFQBUSA-N 1 0 227.348 1.837 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CCO1 ZINC000069862596 411361679 /nfs/dbraw/zinc/36/16/79/411361679.db2.gz XBLHSRQLTSXIMN-FVCCEPFGSA-N 1 0 227.348 1.837 10 0 BDAERO C[N@@H+]1CCC[C@H]1CN1CCC(F)(F)[C@H](CO)C1 ZINC000403913949 411365159 /nfs/dbraw/zinc/36/51/59/411365159.db2.gz AHRZAUUOGXBANY-QWRGUYRKSA-N 1 0 248.317 1.030 10 0 BDAERO Cc1noc2ncnc(N3CCCC[C@H]3C[NH3+])c12 ZINC000071194721 411365417 /nfs/dbraw/zinc/36/54/17/411365417.db2.gz LSSGPEAZMGQOTG-VIFPVBQESA-N 1 0 247.302 1.244 10 0 BDAERO COCC1(N(C)C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000659338835 411366193 /nfs/dbraw/zinc/36/61/93/411366193.db2.gz RQNAUAMBQZAOJN-QWRGUYRKSA-N 1 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CC1CCN(C(=O)[C@@H]2[NH2+]CCC[C@H]2C)CC1 ZINC000051791880 168175145 /nfs/dbraw/zinc/17/51/45/168175145.db2.gz UFKNILTYTIDBOM-VXGBXAGGSA-N 1 0 224.348 1.633 10 0 BDAERO COCC1(N(C)C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000659337269 411388641 /nfs/dbraw/zinc/38/86/41/411388641.db2.gz LGDDTLCZSIZWGY-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO CCC(=O)Nc1ccc(N(C)CCC[NH3+])cc1 ZINC000020224811 168244123 /nfs/dbraw/zinc/24/41/23/168244123.db2.gz DUPVVIVBHXVZSS-UHFFFAOYSA-N 1 0 235.331 1.820 10 0 BDAERO CC1CCC(C[NH2+]CC[C@]2(O)CCOC2)CC1 ZINC000404226542 411384249 /nfs/dbraw/zinc/38/42/49/411384249.db2.gz LPKIFURNOMUECX-RUXDESIVSA-N 1 0 241.375 1.944 10 0 BDAERO Cc1cc2c(NC3CC[NH2+]CC3)nccn2n1 ZINC000129736989 411385303 /nfs/dbraw/zinc/38/53/03/411385303.db2.gz RSVAFCCNJBWSEU-UHFFFAOYSA-N 1 0 231.303 1.202 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+]C(CC)(CC)CO ZINC000053070414 168289416 /nfs/dbraw/zinc/28/94/16/168289416.db2.gz DTBRQYGSEHRXIP-UHFFFAOYSA-N 1 0 244.379 1.432 10 0 BDAERO CCC(C)(C)NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000020597446 168291210 /nfs/dbraw/zinc/29/12/10/168291210.db2.gz FIRMRXGBSOCVDE-SNVBAGLBSA-N 1 0 212.337 1.823 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019519436 168294930 /nfs/dbraw/zinc/29/49/30/168294930.db2.gz WFPOVBYFVSGAEK-NXEZZACHSA-N 1 0 212.337 1.679 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000019426676 168295736 /nfs/dbraw/zinc/29/57/36/168295736.db2.gz VFYOWBDVHYYHKM-GFCCVEGCSA-N 1 0 234.343 1.861 10 0 BDAERO CC(C)(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)c1ccccc1 ZINC000657060434 411398882 /nfs/dbraw/zinc/39/88/82/411398882.db2.gz RVDQBZMJUKLFTN-OCCSQVGLSA-N 1 0 249.354 1.249 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000659358923 411402196 /nfs/dbraw/zinc/40/21/96/411402196.db2.gz LTAPVNBIJAVGSM-NAWOPXAZSA-N 1 0 236.359 1.394 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000659358827 411402226 /nfs/dbraw/zinc/40/22/26/411402226.db2.gz LTAPVNBIJAVGSM-KSSYENDESA-N 1 0 236.359 1.394 10 0 BDAERO C[C@]1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CC1(F)F ZINC000659360684 411402804 /nfs/dbraw/zinc/40/28/04/411402804.db2.gz FCXOOXVPBGSILZ-GXSJLCMTSA-N 1 0 246.301 1.538 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H](OC)C1CCCCC1 ZINC000659381331 411407361 /nfs/dbraw/zinc/40/73/61/411407361.db2.gz CGEHPSGQLNTDPE-ZYHUDNBSSA-N 1 0 242.363 1.306 10 0 BDAERO COC[C@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186534882 411410238 /nfs/dbraw/zinc/41/02/38/411410238.db2.gz YHJWDXUVRXSMEI-WDEREUQCSA-N 1 0 240.347 1.012 10 0 BDAERO C[N@@H+]1CCO[C@H](c2cccnc2N)CC1 ZINC000616687267 411414852 /nfs/dbraw/zinc/41/48/52/411414852.db2.gz RESOIYJVMKUMKK-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO C[C@@H]([NH3+])CNc1nc2ccccc2n1C ZINC000070609146 411415188 /nfs/dbraw/zinc/41/51/88/411415188.db2.gz BBQQWWLLKQHKEX-MRVPVSSYSA-N 1 0 204.277 1.332 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(-c2ccco2)no1 ZINC000071001759 411428606 /nfs/dbraw/zinc/42/86/06/411428606.db2.gz QDLFUJFEZCQZPP-MRVPVSSYSA-N 1 0 221.260 1.855 10 0 BDAERO C[NH2+][C@@H]1CCN(c2nc(C)cc(C(C)C)n2)C1 ZINC000122600525 411434267 /nfs/dbraw/zinc/43/42/67/411434267.db2.gz QWILYSOWHNNKPQ-LLVKDONJSA-N 1 0 234.347 1.707 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCSC1 ZINC000128902256 411442022 /nfs/dbraw/zinc/44/20/22/411442022.db2.gz GLAWVLWUEJWFGS-NXEZZACHSA-N 1 0 230.377 1.324 10 0 BDAERO CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1CC1 ZINC000128897374 411442276 /nfs/dbraw/zinc/44/22/76/411442276.db2.gz RBCUUEIVEGSEFH-NSHDSACASA-N 1 0 212.337 1.761 10 0 BDAERO CC[C@H]1C[C@@H]([NH2+]Cc2ccccn2)CO1 ZINC000657286252 411444617 /nfs/dbraw/zinc/44/46/17/411444617.db2.gz MLZQRQDBIOMVQB-NEPJUHHUSA-N 1 0 206.289 1.739 10 0 BDAERO CCN(Cc1cccc(F)c1)C(=O)C[C@@H](C)[NH3+] ZINC000037801028 169909727 /nfs/dbraw/zinc/90/97/27/169909727.db2.gz PITSGGCDVFYVNQ-SNVBAGLBSA-N 1 0 238.306 1.912 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407272030 411477023 /nfs/dbraw/zinc/47/70/23/411477023.db2.gz PXFZBYNEEWKTCV-SNXWAXQRSA-N 1 0 208.305 1.042 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]CCCc1cnn(C)c1 ZINC000120872670 411479172 /nfs/dbraw/zinc/47/91/72/411479172.db2.gz RNYREWWBLVWTFT-ZYHUDNBSSA-N 1 0 223.320 1.120 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657371632 411484857 /nfs/dbraw/zinc/48/48/57/411484857.db2.gz XSYLNRWIZZCOOO-WCQYABFASA-N 1 0 249.358 1.470 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CO1 ZINC000657371507 411485209 /nfs/dbraw/zinc/48/52/09/411485209.db2.gz WUDCMTTYUXPRKC-XQHKEYJVSA-N 1 0 227.348 1.695 10 0 BDAERO O[C@H](C[NH2+]C[C@H]1CCC[C@H]1O)CC(F)(F)F ZINC000307947793 411489828 /nfs/dbraw/zinc/48/98/28/411489828.db2.gz OMGAOZMAELLPCC-HRDYMLBCSA-N 1 0 241.253 1.050 10 0 BDAERO CO[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000659901366 411492897 /nfs/dbraw/zinc/49/28/97/411492897.db2.gz PBYNQXGBMCIHMC-KBPBESRZSA-N 1 0 238.375 1.582 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000336652483 169977359 /nfs/dbraw/zinc/97/73/59/169977359.db2.gz IKSUCLIZZSFNFG-FRRDWIJNSA-N 1 0 226.364 1.628 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CO1 ZINC000657327060 411465846 /nfs/dbraw/zinc/46/58/46/411465846.db2.gz UIYRSWCOABUQGE-NNYUYHANSA-N 1 0 213.321 1.447 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2ccc(Cl)nn2)C1 ZINC000037484441 170016397 /nfs/dbraw/zinc/01/63/97/170016397.db2.gz PLSQOKDOYANHJW-SECBINFHSA-N 1 0 240.738 1.884 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000328530505 170022338 /nfs/dbraw/zinc/02/23/38/170022338.db2.gz XEQBOOSXCLDOMK-UTUOFQBUSA-N 1 0 212.337 1.095 10 0 BDAERO CC[N@@H+]1CCc2ncc(N)nc2[C@@H](C)C1 ZINC000039101080 170025423 /nfs/dbraw/zinc/02/54/23/170025423.db2.gz OJIBEYDNQZNYJA-QMMMGPOBSA-N 1 0 206.293 1.040 10 0 BDAERO CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188092099 170030102 /nfs/dbraw/zinc/03/01/02/170030102.db2.gz SSYKPPIFHGHCOF-QWRGUYRKSA-N 1 0 211.330 1.776 10 0 BDAERO CCN1C[C@H]([NH2+]CC2=CCCOC2)[C@@H](C)C1 ZINC000336779872 170035843 /nfs/dbraw/zinc/03/58/43/170035843.db2.gz PQZAEZOLEJRCFM-AAEUAGOBSA-N 1 0 224.348 1.263 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]CC2(SC)CC2)C1 ZINC000336760140 170037583 /nfs/dbraw/zinc/03/75/83/170037583.db2.gz LMWXYLYVYIWLNU-WDEREUQCSA-N 1 0 228.405 1.812 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](C)COC)C1 ZINC000309049424 170038365 /nfs/dbraw/zinc/03/83/65/170038365.db2.gz PZPHDFKJRYWDSI-GRYCIOLGSA-N 1 0 214.353 1.199 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccoc2)C1 ZINC000336762929 170038712 /nfs/dbraw/zinc/03/87/12/170038712.db2.gz OJTPMIXUAVPOAR-CMPLNLGQSA-N 1 0 208.305 1.709 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000309950058 170039972 /nfs/dbraw/zinc/03/99/72/170039972.db2.gz FSCPLAQIWOMCEO-YNEHKIRRSA-N 1 0 226.364 1.485 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2CCNC2=O)c1C ZINC000657522014 411540951 /nfs/dbraw/zinc/54/09/51/411540951.db2.gz GPHFEBQEGFOCKV-GFCCVEGCSA-N 1 0 218.300 1.282 10 0 BDAERO CCNC(=[NH2+])N(C)Cc1ccc(OC)cc1 ZINC000052038729 170041617 /nfs/dbraw/zinc/04/16/17/170041617.db2.gz QKTBLFWJHNUBNK-UHFFFAOYSA-N 1 0 221.304 1.671 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000657523220 411541191 /nfs/dbraw/zinc/54/11/91/411541191.db2.gz DKENJINZWVSRFU-GFCCVEGCSA-N 1 0 241.294 1.213 10 0 BDAERO CCNC(=O)CN(CC)[C@H](C[NH3+])c1ccccc1 ZINC000042899354 170057942 /nfs/dbraw/zinc/05/79/42/170057942.db2.gz UEHLAVUGYYVJBU-CYBMUJFWSA-N 1 0 249.358 1.144 10 0 BDAERO CCNC(=O)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000037262476 170066181 /nfs/dbraw/zinc/06/61/81/170066181.db2.gz DWTINPFQGUEODR-LLVKDONJSA-N 1 0 220.316 1.782 10 0 BDAERO CCNC(=O)Nc1ccccc1C[NH2+]C ZINC000036283455 170085231 /nfs/dbraw/zinc/08/52/31/170085231.db2.gz LOLFWPONVLBPHU-UHFFFAOYSA-N 1 0 207.277 1.547 10 0 BDAERO CCNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N)c1 ZINC000035360016 170086137 /nfs/dbraw/zinc/08/61/37/170086137.db2.gz AVUCJBGWNWEJBR-SNVBAGLBSA-N 1 0 235.331 1.225 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1cccc(C)c1 ZINC000076616802 170089816 /nfs/dbraw/zinc/08/98/16/170089816.db2.gz WKJZWUJXEARJBL-ZDUSSCGKSA-N 1 0 234.343 1.954 10 0 BDAERO CCNC(=O)[C@H](CCC[NH3+])c1cccc(F)c1 ZINC000076620486 170097463 /nfs/dbraw/zinc/09/74/63/170097463.db2.gz VUVUIPSPCMDJDF-GFCCVEGCSA-N 1 0 238.306 1.784 10 0 BDAERO CCNC(=O)[C@H](CC[NH3+])c1ccccc1OC ZINC000076618948 170097533 /nfs/dbraw/zinc/09/75/33/170097533.db2.gz MLURPMTVTPPBIO-LLVKDONJSA-N 1 0 236.315 1.264 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCCCCC1 ZINC000061278554 170106185 /nfs/dbraw/zinc/10/61/85/170106185.db2.gz OYLGEMRSQLJJSH-UHFFFAOYSA-N 1 0 212.337 1.777 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCOCC1(C)C ZINC000061298984 170106348 /nfs/dbraw/zinc/10/63/48/170106348.db2.gz MPUSYOOWUKJGLH-UHFFFAOYSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(CC)CC(C)C ZINC000061288793 170106580 /nfs/dbraw/zinc/10/65/80/170106580.db2.gz UVOVGWKDNVHBHV-UHFFFAOYSA-N 1 0 214.353 1.879 10 0 BDAERO CC[NH2+]C(C)(C)CN1C[C@H](C)OC(C)(C)C1 ZINC000061299925 170107878 /nfs/dbraw/zinc/10/78/78/170107878.db2.gz KMRDFIIDEPJHDC-NSHDSACASA-N 1 0 228.380 1.874 10 0 BDAERO CC[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC000039093952 170107928 /nfs/dbraw/zinc/10/79/28/170107928.db2.gz AJTOOLDEHFANMG-UHFFFAOYSA-N 1 0 216.325 1.899 10 0 BDAERO CC[NH2+]CC(=O)c1cc(OC)c(C)cc1OC ZINC000071547837 170110346 /nfs/dbraw/zinc/11/03/46/170110346.db2.gz JUOWHYWJDAIHIK-UHFFFAOYSA-N 1 0 237.299 1.804 10 0 BDAERO CC[NH2+]CCC(=O)N1CCc2ccc(O)cc2C1 ZINC000061296426 170111806 /nfs/dbraw/zinc/11/18/06/170111806.db2.gz WBBMXAXMWIFGGO-UHFFFAOYSA-N 1 0 248.326 1.277 10 0 BDAERO CC[NH2+]CCNC(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000236952542 170114408 /nfs/dbraw/zinc/11/44/08/170114408.db2.gz LKISUMWDYUEMEL-KGLIPLIRSA-N 1 0 246.354 1.824 10 0 BDAERO CC[NH2+]CCOCc1cc(C(N)=O)ccc1F ZINC000051844326 170116854 /nfs/dbraw/zinc/11/68/54/170116854.db2.gz VDIHIZTTXAIVLU-UHFFFAOYSA-N 1 0 240.278 1.051 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(CCOC)CC(C)C ZINC000061236271 170118315 /nfs/dbraw/zinc/11/83/15/170118315.db2.gz YXBGJWQMEQDSNC-GFCCVEGCSA-N 1 0 244.379 1.363 10 0 BDAERO CC[NH2+]CCc1nc(Cc2ccccc2)no1 ZINC000051784393 170118462 /nfs/dbraw/zinc/11/84/62/170118462.db2.gz NYOVUGQZRQTYOK-UHFFFAOYSA-N 1 0 231.299 1.812 10 0 BDAERO CC[NH2+]C[C@@H](C)N1CCCSCC1 ZINC000052370977 170118767 /nfs/dbraw/zinc/11/87/67/170118767.db2.gz WRQAJDRTZUPILZ-SNVBAGLBSA-N 1 0 202.367 1.423 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000061268079 170118938 /nfs/dbraw/zinc/11/89/38/170118938.db2.gz YRHHRFABALUUIL-MNOVXSKESA-N 1 0 242.363 1.258 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1ccc(C)cn1 ZINC000053696559 170119680 /nfs/dbraw/zinc/11/96/80/170119680.db2.gz NPDUQMCWYWDKEI-LBPRGKRZSA-N 1 0 219.332 1.968 10 0 BDAERO CC[NH2+]C[C@@H]1CCN(Cc2cccc(C)n2)C1 ZINC000053034890 170120480 /nfs/dbraw/zinc/12/04/80/170120480.db2.gz KGJBOODEFONKSS-ZDUSSCGKSA-N 1 0 233.359 1.821 10 0 BDAERO CC[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000053302064 170120813 /nfs/dbraw/zinc/12/08/13/170120813.db2.gz HDWDEWLLIXPVGI-SECBINFHSA-N 1 0 225.313 1.167 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)NCCCOCC(C)C ZINC000061229028 170121846 /nfs/dbraw/zinc/12/18/46/170121846.db2.gz CTZKUVBTTZVZMA-LBPRGKRZSA-N 1 0 244.379 1.411 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cc(C)cc(C)c1C ZINC000036951138 170121951 /nfs/dbraw/zinc/12/19/51/170121951.db2.gz BQJRAKFIWOVELV-ZDUSSCGKSA-N 1 0 237.343 1.961 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000032101463 170122225 /nfs/dbraw/zinc/12/22/25/170122225.db2.gz PHOKQQBYQCIYTM-JTQLQIEISA-N 1 0 243.734 1.998 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1ccnc(C)n1 ZINC000054937590 170122590 /nfs/dbraw/zinc/12/25/90/170122590.db2.gz RTKBLHXWULESEA-LLVKDONJSA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000053695807 170122681 /nfs/dbraw/zinc/12/26/81/170122681.db2.gz OCDUIWNIHXEQPP-CYBMUJFWSA-N 1 0 248.374 1.919 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1ccc(C)cn1 ZINC000053696563 170122940 /nfs/dbraw/zinc/12/29/40/170122940.db2.gz NPDUQMCWYWDKEI-GFCCVEGCSA-N 1 0 219.332 1.968 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1ccccc1OCC ZINC000032014613 170123819 /nfs/dbraw/zinc/12/38/19/170123819.db2.gz FLJRKMUHJMWYSI-ZDUSSCGKSA-N 1 0 223.316 1.902 10 0 BDAERO CC[NH2+]Cc1cc(F)ccc1N(CC)CCO ZINC000037900396 170125919 /nfs/dbraw/zinc/12/59/19/170125919.db2.gz BLKPHUZLJONHDN-UHFFFAOYSA-N 1 0 240.322 1.754 10 0 BDAERO CC[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000020129519 170127388 /nfs/dbraw/zinc/12/73/88/170127388.db2.gz BGLLISHXRXRGOP-UHFFFAOYSA-N 1 0 218.300 1.923 10 0 BDAERO CC[NH2+]Cc1cccc(N(CC)CCOC)n1 ZINC000051487087 170127958 /nfs/dbraw/zinc/12/79/58/170127958.db2.gz NMWRTVRGTBRWQI-UHFFFAOYSA-N 1 0 237.347 1.664 10 0 BDAERO CC[NH2+]Cc1ccnc(-n2cnc(C)c2C)c1 ZINC000051928462 170129202 /nfs/dbraw/zinc/12/92/02/170129202.db2.gz UDHFZSAIPXUDPY-UHFFFAOYSA-N 1 0 230.315 1.994 10 0 BDAERO CC[NH2+]Cc1coc(CN2CCOC[C@@H]2C)c1 ZINC000052475976 170130138 /nfs/dbraw/zinc/13/01/38/170130138.db2.gz CLAWOVXSBVTCPT-NSHDSACASA-N 1 0 238.331 1.610 10 0 BDAERO CC[NH2+]Cc1cnn(-c2nc(C)cc(C)n2)c1C ZINC000042355485 170130671 /nfs/dbraw/zinc/13/06/71/170130671.db2.gz RHHSRCYUMOGJOK-UHFFFAOYSA-N 1 0 245.330 1.697 10 0 BDAERO CC[NH2+]Cc1cnn([C@@H]2CCCCC[C@@H]2O)c1 ZINC000054600467 170130921 /nfs/dbraw/zinc/13/09/21/170130921.db2.gz IPVANFXABDLLGH-OLZOCXBDSA-N 1 0 237.347 1.859 10 0 BDAERO CC[NH2+]Cc1nnnn1CCCc1ccccc1 ZINC000054746273 170132020 /nfs/dbraw/zinc/13/20/20/170132020.db2.gz HJZHSKRYWQLFSW-UHFFFAOYSA-N 1 0 245.330 1.415 10 0 BDAERO CC[NH2+]Cc1sc(CN(C)C)nc1C ZINC000052330373 170132588 /nfs/dbraw/zinc/13/25/88/170132588.db2.gz JYVYSAUKCWVUEL-UHFFFAOYSA-N 1 0 213.350 1.623 10 0 BDAERO CC[NH2+]Cc1sc(COC)nc1CC ZINC000082424761 170132618 /nfs/dbraw/zinc/13/26/18/170132618.db2.gz QPDTXJMQSLJCCH-UHFFFAOYSA-N 1 0 214.334 1.961 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@H](C)C1 ZINC000061268725 170139442 /nfs/dbraw/zinc/13/94/42/170139442.db2.gz AMBVKVYXJVTCSV-QWRGUYRKSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCc2ccccc2C1 ZINC000061269023 170139534 /nfs/dbraw/zinc/13/95/34/170139534.db2.gz ZZZKKXVVYDJGIK-LBPRGKRZSA-N 1 0 246.354 1.959 10 0 BDAERO CC[NH2+][C@@H](C)[C@H](O)c1ccc(OC)c(F)c1 ZINC000071533160 170141326 /nfs/dbraw/zinc/14/13/26/170141326.db2.gz BWMSAKFRSYRKSM-UFBFGSQYSA-N 1 0 227.279 1.866 10 0 BDAERO CC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000035549938 170141830 /nfs/dbraw/zinc/14/18/30/170141830.db2.gz GRMMEVXFUVUDLV-QMMMGPOBSA-N 1 0 204.273 1.852 10 0 BDAERO CC[NH2+][C@@H](CO)c1cc2c(c(Cl)c1)OCO2 ZINC000038120440 170144568 /nfs/dbraw/zinc/14/45/68/170144568.db2.gz CSDSEEZNPAYJGB-VIFPVBQESA-N 1 0 243.690 1.712 10 0 BDAERO CC[NH2+][C@@H](CO)c1ccc(OCC)c(F)c1 ZINC000071533192 170144673 /nfs/dbraw/zinc/14/46/73/170144673.db2.gz OUXXVJJDUBHZDJ-NSHDSACASA-N 1 0 227.279 1.867 10 0 BDAERO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000660221301 411555215 /nfs/dbraw/zinc/55/52/15/411555215.db2.gz MZLURGBTNWEVFB-RDBSUJKOSA-N 1 0 241.375 1.894 10 0 BDAERO CC[NH2+][C@@H](CCO)c1ccc2c(c1)OCCO2 ZINC000085320637 170145411 /nfs/dbraw/zinc/14/54/11/170145411.db2.gz PZDMQZRKBOBODG-NSHDSACASA-N 1 0 237.299 1.491 10 0 BDAERO CC[NH2+][C@@H](c1ccccc1)[C@@H]1COCCO1 ZINC000055299900 170148537 /nfs/dbraw/zinc/14/85/37/170148537.db2.gz ACCPNRNLOYMADT-STQMWFEESA-N 1 0 221.300 1.753 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@H]1CN1CCOC(C)(C)C1 ZINC000053868239 170151720 /nfs/dbraw/zinc/15/17/20/170151720.db2.gz WPHGTBHOSBYXEQ-QWHCGFSZSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@@H]1CCN(Cc2cccc(OC)c2)C1 ZINC000038077985 170152165 /nfs/dbraw/zinc/15/21/65/170152165.db2.gz AWUGEBGHQVXJBA-CYBMUJFWSA-N 1 0 234.343 1.879 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@@H]1N1CCCCC1 ZINC000043814388 170152540 /nfs/dbraw/zinc/15/25/40/170152540.db2.gz STOSOBZYMKTUAN-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@@H]1n1cc(C)cn1 ZINC000043999572 170152884 /nfs/dbraw/zinc/15/28/84/170152884.db2.gz XZPWRBNRVBEGPY-MNOVXSKESA-N 1 0 209.293 1.131 10 0 BDAERO CC[NH2+][C@@H]1CC[S@@](=O)c2ccc(F)cc21 ZINC000040974182 170153854 /nfs/dbraw/zinc/15/38/54/170153854.db2.gz PEEJRKCCHKMGME-BMIGLBTASA-N 1 0 227.304 1.988 10 0 BDAERO CCN[C@@](C)(Cn1cnc(C)c1C)C(=O)OC ZINC000051928183 170154952 /nfs/dbraw/zinc/15/49/52/170154952.db2.gz WURZOZFOZGHKFY-LBPRGKRZSA-N 1 0 239.319 1.041 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1ccc(Cl)cc1 ZINC000037869641 170155893 /nfs/dbraw/zinc/15/58/93/170155893.db2.gz WMTAATIQAFUHDG-VIFPVBQESA-N 1 0 212.680 1.476 10 0 BDAERO CC[NH2+][C@H](C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000043301147 170156034 /nfs/dbraw/zinc/15/60/34/170156034.db2.gz LMTJUWNSKXZQDW-NXEZZACHSA-N 1 0 219.350 1.055 10 0 BDAERO CC[NH2+][C@H](C)C(=O)c1ccc2c(c1)CCN2 ZINC000041619462 170156950 /nfs/dbraw/zinc/15/69/50/170156950.db2.gz PMNMEAOGJLFMNQ-SECBINFHSA-N 1 0 218.300 1.835 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000061268728 170157286 /nfs/dbraw/zinc/15/72/86/170157286.db2.gz AMBVKVYXJVTCSV-GHMZBOCLSA-N 1 0 212.337 1.633 10 0 BDAERO CC[NH2+][C@H](C)c1sc(-c2nc[nH]n2)nc1C ZINC000040994503 170160728 /nfs/dbraw/zinc/16/07/28/170160728.db2.gz LAEGCBFCVNLADA-ZCFIWIBFSA-N 1 0 237.332 1.907 10 0 BDAERO CC[NH2+][C@H](CC(=O)OC)Cc1ccccc1 ZINC000074478739 170161140 /nfs/dbraw/zinc/16/11/40/170161140.db2.gz AMZGRXOVQGHDKD-LBPRGKRZSA-N 1 0 221.300 1.770 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@H]1N1CCCOCC1 ZINC000061917862 170165652 /nfs/dbraw/zinc/16/56/52/170165652.db2.gz LLTFYPKGVYQEAF-QWHCGFSZSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@H]1CCC[C@@H]1CN1CCOCC1 ZINC000053861138 170166990 /nfs/dbraw/zinc/16/69/90/170166990.db2.gz URSUVANIEPIYLJ-NEPJUHHUSA-N 1 0 212.337 1.097 10 0 BDAERO CC[NH2+][C@H]1CCN([C@H](C)Cc2ccco2)C1=O ZINC000049649086 170167948 /nfs/dbraw/zinc/16/79/48/170167948.db2.gz FOHFUHHIAYUIHQ-PWSUYJOCSA-N 1 0 236.315 1.421 10 0 BDAERO CC[NH2+][C@H]1CCN(CCc2ccccc2)C1=O ZINC000049647716 170168197 /nfs/dbraw/zinc/16/81/97/170168197.db2.gz VRVDNDXDDFMXET-ZDUSSCGKSA-N 1 0 232.327 1.440 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cccnc2)C1 ZINC000037483517 170168297 /nfs/dbraw/zinc/16/82/97/170168297.db2.gz AAXCBBICBJBUGR-LBPRGKRZSA-N 1 0 205.305 1.265 10 0 BDAERO CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1c1ccccc1 ZINC000004226958 170168981 /nfs/dbraw/zinc/16/89/81/170168981.db2.gz HNHXENQBLPHYQU-NEPJUHHUSA-N 1 0 239.340 1.177 10 0 BDAERO CC[NH2+][C@]1(c2nc(C)cs2)CCN(C)C1 ZINC000061991844 170170118 /nfs/dbraw/zinc/17/01/18/170170118.db2.gz QBOBICYIEXKRMC-LLVKDONJSA-N 1 0 225.361 1.592 10 0 BDAERO CCNc1cc(C[N@H+](CCO)C2CC2)ccn1 ZINC000052731143 170172313 /nfs/dbraw/zinc/17/23/13/170172313.db2.gz PKJYDIHBGAXQPW-UHFFFAOYSA-N 1 0 235.331 1.470 10 0 BDAERO CCNc1ccc([C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000039471913 170174461 /nfs/dbraw/zinc/17/44/61/170174461.db2.gz VQDKAMSYHIUOKN-WCQYABFASA-N 1 0 202.301 1.979 10 0 BDAERO CCNc1nc(NCC)[nH+]c(NCC)n1 ZINC000002018489 170176880 /nfs/dbraw/zinc/17/68/80/170176880.db2.gz LNCCBHFAHILMCT-UHFFFAOYSA-N 1 0 210.285 1.167 10 0 BDAERO CCNc1nc2c(s1)CC[N@H+](CC)CC2 ZINC000039102554 170177401 /nfs/dbraw/zinc/17/74/01/170177401.db2.gz QKCCZJATIIBINJ-UHFFFAOYSA-N 1 0 225.361 1.995 10 0 BDAERO CCOC(=O)C1(N2CC[NH2+]CC2)CCCCC1 ZINC000037964077 170190512 /nfs/dbraw/zinc/19/05/12/170190512.db2.gz JNVXIOMPSHMYHT-UHFFFAOYSA-N 1 0 240.347 1.158 10 0 BDAERO CCOC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000095937848 170239058 /nfs/dbraw/zinc/23/90/58/170239058.db2.gz PMUYVBLRHYQBBU-UHFFFAOYSA-N 1 0 226.320 1.609 10 0 BDAERO CCOC(=O)N1C[C@@H](C)[NH2+]CC1(C)C ZINC000062568590 170239730 /nfs/dbraw/zinc/23/97/30/170239730.db2.gz DOUZRFMSHNBXNU-MRVPVSSYSA-N 1 0 200.282 1.215 10 0 BDAERO CCOC(=O)N1C[C@H](C)[NH2+]CC1(C)C ZINC000062568588 170241118 /nfs/dbraw/zinc/24/11/18/170241118.db2.gz DOUZRFMSHNBXNU-QMMMGPOBSA-N 1 0 200.282 1.215 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000019415418 170242456 /nfs/dbraw/zinc/24/24/56/170242456.db2.gz JWXRUCXRESCFBR-JTQLQIEISA-N 1 0 226.251 1.572 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1ccccc1F ZINC000019415143 170242847 /nfs/dbraw/zinc/24/28/47/170242847.db2.gz CPBUDBNEKAQWAZ-SNVBAGLBSA-N 1 0 226.251 1.572 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000019420959 170243147 /nfs/dbraw/zinc/24/31/47/170243147.db2.gz CHQKHCYTXPGXCU-LLVKDONJSA-N 1 0 238.287 1.441 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+][C@H](c2ccccc2)C1 ZINC000095635259 170259954 /nfs/dbraw/zinc/25/99/54/170259954.db2.gz PBHVLJGBLGLONL-RYUDHWBXSA-N 1 0 219.284 1.900 10 0 BDAERO CCOC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000238798008 170263276 /nfs/dbraw/zinc/26/32/76/170263276.db2.gz MQBZFJDCIQZYMA-ZDUSSCGKSA-N 1 0 219.284 1.481 10 0 BDAERO CCOC(=O)[C@H](C)C[N@H+](C)CC1CCOCC1 ZINC000104188243 170263841 /nfs/dbraw/zinc/26/38/41/170263841.db2.gz BXAFXBBECZZQEL-LLVKDONJSA-N 1 0 243.347 1.544 10 0 BDAERO CCOC(=O)[C@](C)(CC(C)C)NCC[NH+](C)C ZINC000037965038 170284193 /nfs/dbraw/zinc/28/41/93/170284193.db2.gz SMOIIEVZROGNNR-ZDUSSCGKSA-N 1 0 244.379 1.506 10 0 BDAERO C[C@]1(CO)CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000660277862 411564176 /nfs/dbraw/zinc/56/41/76/411564176.db2.gz RNDIVKQGLGKKCK-FRRDWIJNSA-N 1 0 227.348 1.384 10 0 BDAERO CCOC(=O)c1cccc2[nH+]cc(N)n21 ZINC000039085551 170299222 /nfs/dbraw/zinc/29/92/22/170299222.db2.gz JQICDIJCIGDGFG-UHFFFAOYSA-N 1 0 205.217 1.093 10 0 BDAERO CCOC1CCN([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000040689310 170332262 /nfs/dbraw/zinc/33/22/62/170332262.db2.gz VHXCRSYSYGZXKK-VXGBXAGGSA-N 1 0 212.337 1.367 10 0 BDAERO CCOCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000037915831 170340625 /nfs/dbraw/zinc/34/06/25/170340625.db2.gz RTNVJLSDQGPPCR-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO CCOCC(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000035634883 170349203 /nfs/dbraw/zinc/34/92/03/170349203.db2.gz DFDITFBXKYLBBP-JTQLQIEISA-N 1 0 236.315 1.942 10 0 BDAERO CCOCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000123539135 170349205 /nfs/dbraw/zinc/34/92/05/170349205.db2.gz PJXOTZJKIDFPGG-UHFFFAOYSA-N 1 0 234.299 1.307 10 0 BDAERO CCOCCCN1CC[NH2+]C[C@@H]1CC ZINC000083086505 170373888 /nfs/dbraw/zinc/37/38/88/170373888.db2.gz UOPQSZWRBWFCCN-NSHDSACASA-N 1 0 200.326 1.097 10 0 BDAERO CCOCCCNC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000019503975 170378993 /nfs/dbraw/zinc/37/89/93/170378993.db2.gz JXDMLIARHUGDHL-GHMZBOCLSA-N 1 0 228.336 1.060 10 0 BDAERO CCOCC[N@H+](CCC(N)=S)CC(C)C ZINC000043418199 170397112 /nfs/dbraw/zinc/39/71/12/170397112.db2.gz NGJVOWNGXMCJCG-UHFFFAOYSA-N 1 0 232.393 1.657 10 0 BDAERO CCOCCn1c(CC[NH3+])nc2ccccc21 ZINC000040163793 170429124 /nfs/dbraw/zinc/42/91/24/170429124.db2.gz PFSSDQPQULIVBJ-UHFFFAOYSA-N 1 0 233.315 1.574 10 0 BDAERO CN1C[C@@H](C[NH2+]C[C@@H]2CC=CCC2)CC1=O ZINC000657695306 411581456 /nfs/dbraw/zinc/58/14/56/411581456.db2.gz XQIYPPZXEJNDLO-VXGBXAGGSA-N 1 0 222.332 1.411 10 0 BDAERO Cc1ccc(C[NH2+]C2CC(CO)C2)s1 ZINC000657808398 411600895 /nfs/dbraw/zinc/60/08/95/411600895.db2.gz IJWNSAPVLORPRT-UHFFFAOYSA-N 1 0 211.330 1.917 10 0 BDAERO Cc1ccc(F)cc1C[NH2+]C1CC(CO)C1 ZINC000657810555 411600971 /nfs/dbraw/zinc/60/09/71/411600971.db2.gz GXBKMEWSFJUJFH-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO COc1ccc(C[NH2+]C2CC(CO)C2)cc1 ZINC000657808316 411601284 /nfs/dbraw/zinc/60/12/84/411601284.db2.gz DXIUHSWATHPGKV-UHFFFAOYSA-N 1 0 221.300 1.556 10 0 BDAERO OCC1CC([NH2+]Cc2cn3ccccc3n2)C1 ZINC000657812751 411604363 /nfs/dbraw/zinc/60/43/63/411604363.db2.gz NBKBQPJHYDJKRT-UHFFFAOYSA-N 1 0 231.299 1.195 10 0 BDAERO CN(Cc1ccc(N)nc1)C[C@H]1CC[N@H+](C)C1 ZINC000071191100 411610541 /nfs/dbraw/zinc/61/05/41/411610541.db2.gz JZCIQZMCEQIFCN-LBPRGKRZSA-N 1 0 234.347 1.047 10 0 BDAERO Cc1cc(CO)cc(N2CC(n3cccn3)C2)n1 ZINC000663570009 411703411 /nfs/dbraw/zinc/70/34/11/411703411.db2.gz HMAAKWHGAJKPNR-UHFFFAOYSA-N 1 0 244.298 1.140 10 0 BDAERO CCCc1nccnc1NC[C@H](C)[NH+](C)C ZINC000663439345 411660198 /nfs/dbraw/zinc/66/01/98/411660198.db2.gz OKHFUXLWDPVBGL-JTQLQIEISA-N 1 0 222.336 1.791 10 0 BDAERO CCOc1ccc(NC(=[NH2+])NCCO)cc1 ZINC000169331972 170550061 /nfs/dbraw/zinc/55/00/61/170550061.db2.gz FYQBPWSGLNAOGL-UHFFFAOYSA-N 1 0 223.276 1.014 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCSC(C)(C)C1 ZINC000133297615 411701676 /nfs/dbraw/zinc/70/16/76/411701676.db2.gz HOSCXZOPDKWVDU-JTQLQIEISA-N 1 0 244.404 1.714 10 0 BDAERO CCOc1ccccc1[C@@H](O)[C@H]1CCC[NH2+]1 ZINC000041237287 170598704 /nfs/dbraw/zinc/59/87/04/170598704.db2.gz RUHVJDHLOSQXFF-DGCLKSJQSA-N 1 0 221.300 1.871 10 0 BDAERO Cc1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)o1 ZINC000133413747 411748406 /nfs/dbraw/zinc/74/84/06/411748406.db2.gz WPHOKWCTBIJJLD-ZDUSSCGKSA-N 1 0 236.315 1.736 10 0 BDAERO CC(C)(C)[N@@H+]1CC[C@H](c2c[nH]nc2N)C1 ZINC000616612946 411864172 /nfs/dbraw/zinc/86/41/72/411864172.db2.gz CHNXLYALJSIQIN-QMMMGPOBSA-N 1 0 208.309 1.580 10 0 BDAERO C[C@@H]1C[NH+](C[C@@H]2CCCN2C)C[C@@H](C)C1O ZINC000661621955 411819685 /nfs/dbraw/zinc/81/96/85/411819685.db2.gz QJTIGIYVBOXTRS-UTUOFQBUSA-N 1 0 226.364 1.029 10 0 BDAERO CC[C@@H](C)[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000361130769 170758718 /nfs/dbraw/zinc/75/87/18/170758718.db2.gz ZSDFDDKPBRHGMT-SCZZXKLOSA-N 1 0 208.309 1.289 10 0 BDAERO CC[C@@H](C1CCCCC1)N1CC[C@@H]([NH3+])C1=O ZINC000052340538 170811112 /nfs/dbraw/zinc/81/11/12/170811112.db2.gz RGDICBCSHDQKRU-NEPJUHHUSA-N 1 0 224.348 1.905 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](n2ccc(N)n2)C1 ZINC000616649419 411869381 /nfs/dbraw/zinc/86/93/81/411869381.db2.gz IZNVYNMCLILVOG-NSHDSACASA-N 1 0 224.308 1.095 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1ccc(N)nc1 ZINC000616637296 411870987 /nfs/dbraw/zinc/87/09/87/411870987.db2.gz KVPKJMFUTHRNJR-NSHDSACASA-N 1 0 220.320 1.019 10 0 BDAERO CC[C@@H](CSC)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233872044 170851847 /nfs/dbraw/zinc/85/18/47/170851847.db2.gz QKYDUVURURTLOR-DCAQKATOSA-N 1 0 244.404 1.632 10 0 BDAERO CC[C@@H]([NH3+])CNC(=O)c1c[nH]c2ccccc12 ZINC000104209069 170864732 /nfs/dbraw/zinc/86/47/32/170864732.db2.gz UFBUBTNVOFANDT-SECBINFHSA-N 1 0 231.299 1.635 10 0 BDAERO Nc1[nH+]ccn1Cc1coc(Br)c1 ZINC000575457879 411971707 /nfs/dbraw/zinc/97/17/07/411971707.db2.gz KZPGIRZEDMMHPA-UHFFFAOYSA-N 1 0 242.076 1.869 10 0 BDAERO CC[C@@H]1CCCC[C@@H]1[NH+]1CCN(CCO)CC1 ZINC000104384455 170966624 /nfs/dbraw/zinc/96/66/24/170966624.db2.gz GTUYHGMNTLVBOO-KGLIPLIRSA-N 1 0 240.391 1.565 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000336748080 171045882 /nfs/dbraw/zinc/04/58/82/171045882.db2.gz XTFWSBIVNZZLQP-VWYCJHECSA-N 1 0 220.320 1.371 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000126625887 171056169 /nfs/dbraw/zinc/05/61/69/171056169.db2.gz CRBZZQBXPQDQQT-PWSUYJOCSA-N 1 0 224.348 1.681 10 0 BDAERO CC[C@@H]1CN(C(=[NH2+])NC2CCCC2)CCN1C ZINC000104348336 171060514 /nfs/dbraw/zinc/06/05/14/171060514.db2.gz KHDQARKRYCYPBZ-GFCCVEGCSA-N 1 0 238.379 1.479 10 0 BDAERO CC[C@@H]1CN(CC[NH2+]C(C)C)CCS1 ZINC000133031187 171081630 /nfs/dbraw/zinc/08/16/30/171081630.db2.gz XZWVHPNFVREOMR-LLVKDONJSA-N 1 0 216.394 1.812 10 0 BDAERO CC[C@@H]1CN(C[C@H]([NH3+])C(C)(C)C)CCO1 ZINC000036769714 171086315 /nfs/dbraw/zinc/08/63/15/171086315.db2.gz AACKDNQFPWGWQS-MNOVXSKESA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@@H]1CN(c2ncc(C)s2)CC[NH2+]1 ZINC000083346770 171098202 /nfs/dbraw/zinc/09/82/02/171098202.db2.gz UPUKYILWHXZSSO-SECBINFHSA-N 1 0 211.334 1.640 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1c1nc2ccccc2[nH]1 ZINC000083357566 171101524 /nfs/dbraw/zinc/10/15/24/171101524.db2.gz UHRGMMXISGNUKG-SNVBAGLBSA-N 1 0 230.315 1.751 10 0 BDAERO CC[C@@H]1C[NH2+]CCN1Cc1ccc2c(c1)OCO2 ZINC000083378811 171101905 /nfs/dbraw/zinc/10/19/05/171101905.db2.gz GZVJTDTZZJPPBJ-GFCCVEGCSA-N 1 0 248.326 1.599 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCOC ZINC000082926607 171102045 /nfs/dbraw/zinc/10/20/45/171102045.db2.gz AVYWBKQWGNDBKY-NEPJUHHUSA-N 1 0 214.353 1.341 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1CCCO1 ZINC000082934923 171103162 /nfs/dbraw/zinc/10/31/62/171103162.db2.gz SQRKFEWJRGWHAM-UTUOFQBUSA-N 1 0 212.337 1.238 10 0 BDAERO CC[C@@H]1COCCN1C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055087812 171103968 /nfs/dbraw/zinc/10/39/68/171103968.db2.gz BPSPBEJQQPGEQK-WOPDTQHZSA-N 1 0 240.347 1.141 10 0 BDAERO CC[C@@](C)([NH2+]C[C@H]1Cc2ccccc2O1)C(N)=O ZINC000301599060 171175251 /nfs/dbraw/zinc/17/52/51/171175251.db2.gz AHCJIILVWUXRGZ-BXUZGUMPSA-N 1 0 248.326 1.234 10 0 BDAERO CC[C@@](C)([NH2+]C[C@@H]1CCC(F)(F)C1)C(N)=O ZINC000304531753 171175586 /nfs/dbraw/zinc/17/55/86/171175586.db2.gz GZAFXBYHEIHDRN-PSASIEDQSA-N 1 0 234.290 1.665 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCC(n2cncn2)CC1 ZINC000123477673 171178453 /nfs/dbraw/zinc/17/84/53/171178453.db2.gz XFYGYUOVVXGFPY-GFCCVEGCSA-N 1 0 238.335 1.076 10 0 BDAERO CC[C@@]([NH2+]C)(C(N)=O)c1ccc(Cl)cc1 ZINC000037458958 171192829 /nfs/dbraw/zinc/19/28/29/171192829.db2.gz RERKXJQWMPDCDB-NSHDSACASA-N 1 0 226.707 1.650 10 0 BDAERO CC[C@@]1(C(=O)NCCc2ccco2)CC[NH2+]C1 ZINC000062890621 171196411 /nfs/dbraw/zinc/19/64/11/171196411.db2.gz DYMHYTZPCLOMBP-CYBMUJFWSA-N 1 0 236.315 1.328 10 0 BDAERO CC[C@@]1(C2=[NH+]CCN2)COc2ccccc2O1 ZINC000026001779 171210886 /nfs/dbraw/zinc/21/08/86/171210886.db2.gz GPTOXCFVXXUZSO-ZDUSSCGKSA-N 1 0 232.283 1.608 10 0 BDAERO CC[C@H](C(=O)N[C@@H]1COc2ccccc21)[NH+](C)C ZINC000155949158 171232935 /nfs/dbraw/zinc/23/29/35/171232935.db2.gz HEKJKHCMYAAYJM-VXGBXAGGSA-N 1 0 248.326 1.577 10 0 BDAERO CC[C@H](C)C(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000019811642 171247282 /nfs/dbraw/zinc/24/72/82/171247282.db2.gz FKVONLALIPCTFX-LBPRGKRZSA-N 1 0 249.358 1.805 10 0 BDAERO CC[C@H](C)N(CC[NH3+])Cc1ccccn1 ZINC000076584308 171313668 /nfs/dbraw/zinc/31/36/68/171313668.db2.gz JRFYTBABMDDXKM-NSHDSACASA-N 1 0 207.321 1.641 10 0 BDAERO CC[C@H](C)NC(=O)C[NH2+][C@H](CN(C)C)C(C)C ZINC000049205719 171326381 /nfs/dbraw/zinc/32/63/81/171326381.db2.gz JKGBBGBCAPQBSE-NWDGAFQWSA-N 1 0 243.395 1.077 10 0 BDAERO CC[C@H](C)NC(=O)CN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000104157001 171326604 /nfs/dbraw/zinc/32/66/04/171326604.db2.gz ZKLHLAHIWNPMBV-QJPTWQEYSA-N 1 0 241.379 1.103 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc[nH]c1 ZINC000086252213 171332293 /nfs/dbraw/zinc/33/22/93/171332293.db2.gz VBBUVBZPBPLXFM-VHSXEESVSA-N 1 0 223.320 1.408 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000037394506 171339460 /nfs/dbraw/zinc/33/94/60/171339460.db2.gz NUPJTNIWHHGTEC-QWRGUYRKSA-N 1 0 212.337 1.633 10 0 BDAERO CC[C@H](C)[NH2+]C1(C(=O)[O-])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038065981 171339896 /nfs/dbraw/zinc/33/98/96/171339896.db2.gz UAKCLPXQDDNQLK-HQFGAJJPSA-N 1 0 240.347 1.455 10 0 BDAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1cccc(F)c1 ZINC000038065759 171347530 /nfs/dbraw/zinc/34/75/30/171347530.db2.gz IKHVETFAUJGWTF-TVQRCGJNSA-N 1 0 238.306 1.914 10 0 BDAERO CC[C@H](C)[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000361130771 171349154 /nfs/dbraw/zinc/34/91/54/171349154.db2.gz ZSDFDDKPBRHGMT-WPRPVWTQSA-N 1 0 208.309 1.289 10 0 BDAERO CC[C@H](C)[C@@H](C[NH3+])N1CCCOCC1 ZINC000061916423 171368523 /nfs/dbraw/zinc/36/85/23/171368523.db2.gz PRMYJDOBCICDGT-WDEREUQCSA-N 1 0 200.326 1.082 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccncc1 ZINC000035693619 171371613 /nfs/dbraw/zinc/37/16/13/171371613.db2.gz AUSWZVGCWMYEID-JBLDHEPKSA-N 1 0 235.331 1.632 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CSc1nccn1C ZINC000087541238 171372277 /nfs/dbraw/zinc/37/22/77/171372277.db2.gz GBYVQOSADCROLU-IUCAKERBSA-N 1 0 213.350 1.886 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CN1CCn2ccnc2C1 ZINC000062321426 171372359 /nfs/dbraw/zinc/37/23/59/171372359.db2.gz DVNRFSHAIHBJPH-QWRGUYRKSA-N 1 0 222.336 1.072 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C ZINC000051392462 171372440 /nfs/dbraw/zinc/37/24/40/171372440.db2.gz BBPPSSJRUFWNOI-TVQRCGJNSA-N 1 0 247.342 1.923 10 0 BDAERO CC[C@H](C)[C@H](C[NH3+])N(C)CCc1ccncc1 ZINC000048259549 171392042 /nfs/dbraw/zinc/39/20/42/171392042.db2.gz STYVFKCCTWPOFC-JSGCOSHPSA-N 1 0 235.375 1.929 10 0 BDAERO C[C@H]1C[N@H+](CC2(O)CCC2)C[C@@](C)(C(F)F)O1 ZINC000662358376 412123412 /nfs/dbraw/zinc/12/34/12/412123412.db2.gz OGEVBCZYMSQTJY-ONGXEEELSA-N 1 0 249.301 1.646 10 0 BDAERO CC[C@H]([NH3+])[C@@H](c1ccc(OC)cc1)N(C)OC ZINC000042961274 171487338 /nfs/dbraw/zinc/48/73/38/171487338.db2.gz QABVXMJLYVLEJJ-QWHCGFSZSA-N 1 0 238.331 1.967 10 0 BDAERO CC[C@H]([NH3+])[C@@H](C)c1nc(Cc2ccccn2)no1 ZINC000104161515 171487757 /nfs/dbraw/zinc/48/77/57/171487757.db2.gz MGZZDRBCLKCOIN-KOLCDFICSA-N 1 0 246.314 1.896 10 0 BDAERO CC[C@H]([NH3+])[C@@H](c1cccs1)n1cncn1 ZINC000043106970 171488665 /nfs/dbraw/zinc/48/86/65/171488665.db2.gz MSAKSXRVZZTRTK-WPRPVWTQSA-N 1 0 222.317 1.666 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@H](Nc2cc[nH]n2)C1 ZINC000616648828 412202440 /nfs/dbraw/zinc/20/24/40/412202440.db2.gz DMYUPXIXXZEENJ-NSHDSACASA-N 1 0 238.335 1.669 10 0 BDAERO C[C@@]1(C(=O)NCCc2ccoc2)CCCC[NH2+]1 ZINC000662662926 412261947 /nfs/dbraw/zinc/26/19/47/412261947.db2.gz KTOGTOXANGVHIK-ZDUSSCGKSA-N 1 0 236.315 1.471 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000662666931 412264313 /nfs/dbraw/zinc/26/43/13/412264313.db2.gz PZSVEBKIPWAEMX-UTUOFQBUSA-N 1 0 242.363 1.434 10 0 BDAERO CC[C@H]([NH3+])c1ccccc1O[C@@H](CC)C(N)=O ZINC000061675644 171591930 /nfs/dbraw/zinc/59/19/30/171591930.db2.gz UCEQYAUBHPMACV-QWRGUYRKSA-N 1 0 236.315 1.739 10 0 BDAERO C[C@]1(C(=O)NCC2=CCCC2)CCCC[NH2+]1 ZINC000662709328 412278251 /nfs/dbraw/zinc/27/82/51/412278251.db2.gz YOOMZGWNRPVIFD-CYBMUJFWSA-N 1 0 222.332 1.745 10 0 BDAERO CC[C@H]1CCCC[C@H]1n1nnnc1C[NH2+]C ZINC000054748028 171612666 /nfs/dbraw/zinc/61/26/66/171612666.db2.gz XPYKYYYQDDWVKV-VHSXEESVSA-N 1 0 223.324 1.534 10 0 BDAERO CC(F)(F)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000662897052 412339102 /nfs/dbraw/zinc/33/91/02/412339102.db2.gz BXILADHSIAEODW-SECBINFHSA-N 1 0 220.263 1.290 10 0 BDAERO O=C(NC1CC2(CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662911054 412342322 /nfs/dbraw/zinc/34/23/22/412342322.db2.gz UQOGNRQFEMMHGD-JTQLQIEISA-N 1 0 222.332 1.435 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)NC2CC3(CCC3)C2)C1 ZINC000662909482 412342458 /nfs/dbraw/zinc/34/24/58/412342458.db2.gz MOOCTOWHIQMDGF-ZJUUUORDSA-N 1 0 222.332 1.563 10 0 BDAERO Cc1cn(C)nc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000662970966 412360831 /nfs/dbraw/zinc/36/08/31/412360831.db2.gz VYZHFYQLGQYHOY-ZJUUUORDSA-N 1 0 236.319 1.055 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nn(C)cc1C ZINC000662970617 412360907 /nfs/dbraw/zinc/36/09/07/412360907.db2.gz NHBNDNOOYYQSCJ-IONNQARKSA-N 1 0 224.308 1.040 10 0 BDAERO CC[C@]1(C)NNc2[nH+]cccc2-n2cccc21 ZINC000039102790 171722704 /nfs/dbraw/zinc/72/27/04/171722704.db2.gz LYZIKCUGDZSRLQ-ZDUSSCGKSA-N 1 0 228.299 1.988 10 0 BDAERO [NH3+]CCNc1ccnc(NC2CCCCC2)n1 ZINC000409430384 412299554 /nfs/dbraw/zinc/29/95/54/412299554.db2.gz VMBPOHFZWTUVIT-UHFFFAOYSA-N 1 0 235.335 1.592 10 0 BDAERO CCc1cc(N(CC)CC[NH2+]C(C)C)ncn1 ZINC000053707307 171761125 /nfs/dbraw/zinc/76/11/25/171761125.db2.gz UTHWUMKFEBREHC-UHFFFAOYSA-N 1 0 236.363 1.863 10 0 BDAERO Cc1cc(C)nc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663273779 412404333 /nfs/dbraw/zinc/40/43/33/412404333.db2.gz IBBNAKGHODKBTE-UHFFFAOYSA-N 1 0 218.304 1.257 10 0 BDAERO CCCc1nccnc1N1C[C@@H](C[NH3+])C[C@H]1C ZINC000663273158 412404513 /nfs/dbraw/zinc/40/45/13/412404513.db2.gz XRJSVLTVOVMJKR-GHMZBOCLSA-N 1 0 234.347 1.603 10 0 BDAERO CCCc1nccnc1N1CC[C@H]([NH3+])[C@@H]1C ZINC000663271673 412404590 /nfs/dbraw/zinc/40/45/90/412404590.db2.gz FJXGOPFOTKJBBN-UWVGGRQHSA-N 1 0 220.320 1.355 10 0 BDAERO c1nc2c(c(NCC34CC(C3)C[NH2+]4)n1)CCCC2 ZINC000663274824 412405284 /nfs/dbraw/zinc/40/52/84/412405284.db2.gz WTMICTYBBIXMBC-UHFFFAOYSA-N 1 0 244.342 1.519 10 0 BDAERO CCc1nsc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663275420 412405306 /nfs/dbraw/zinc/40/53/06/412405306.db2.gz WMWARIPYMUEPAL-UHFFFAOYSA-N 1 0 224.333 1.264 10 0 BDAERO Clc1cncnc1NCC12CC(C1)C[NH2+]2 ZINC000663275801 412405314 /nfs/dbraw/zinc/40/53/14/412405314.db2.gz PRZAFNWGFFMCMK-UHFFFAOYSA-N 1 0 224.695 1.294 10 0 BDAERO CC(C)[C@H]([NH3+])CCNc1ncc(F)cn1 ZINC000663276078 412405457 /nfs/dbraw/zinc/40/54/57/412405457.db2.gz VZCIWZGPECJHES-SECBINFHSA-N 1 0 212.272 1.401 10 0 BDAERO Cc1nnc(NCC23CC(C2)C[NH2+]3)s1 ZINC000663275074 412405772 /nfs/dbraw/zinc/40/57/72/412405772.db2.gz ZYLWHKIWXXYASU-UHFFFAOYSA-N 1 0 210.306 1.010 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nccc2occc21 ZINC000663280385 412408218 /nfs/dbraw/zinc/40/82/18/412408218.db2.gz ZLPVLFLBHARVHE-QMMMGPOBSA-N 1 0 205.261 1.848 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nccn2nc(C)cc12 ZINC000663279194 412408623 /nfs/dbraw/zinc/40/86/23/412408623.db2.gz PRGDDSVOHPWYAP-VIFPVBQESA-N 1 0 219.292 1.058 10 0 BDAERO CCc1cccc(OC[C@H](O)CC[NH3+])c1 ZINC000020399773 171865715 /nfs/dbraw/zinc/86/57/15/171865715.db2.gz NVQJSXABLJSNDL-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO CCc1cccc2c([C@H](O)C[NH3+])c[nH]c21 ZINC000071487872 171868495 /nfs/dbraw/zinc/86/84/95/171868495.db2.gz KRFODTFAWLOKDW-LLVKDONJSA-N 1 0 204.273 1.722 10 0 BDAERO CCc1ccccc1N(C)C[C@H](O)C[NH2+]C ZINC000077334505 171883930 /nfs/dbraw/zinc/88/39/30/171883930.db2.gz LNRKIUWZINGKRE-GFCCVEGCSA-N 1 0 222.332 1.266 10 0 BDAERO CCc1ccccc1OCC[C@@](C)(O)C[NH3+] ZINC000019668228 171891571 /nfs/dbraw/zinc/89/15/71/171891571.db2.gz NUAZBDJZEFUTCZ-CYBMUJFWSA-N 1 0 223.316 1.728 10 0 BDAERO CCc1nc(CN2CC[C@H](C)C[C@@H]2C[NH3+])no1 ZINC000234161936 171979307 /nfs/dbraw/zinc/97/93/07/171979307.db2.gz MEVNZBVVYBFKCA-VHSXEESVSA-N 1 0 238.335 1.191 10 0 BDAERO CCc1nc([C@H]([NH3+])Cc2ccccc2)no1 ZINC000036762676 172006791 /nfs/dbraw/zinc/00/67/91/172006791.db2.gz UBMRHCQDACYXEW-SNVBAGLBSA-N 1 0 217.272 1.875 10 0 BDAERO CCc1[nH+]c2cc(N)ccc2n1[C@@H](C)C(=O)OC ZINC000052854610 172010356 /nfs/dbraw/zinc/01/03/56/172010356.db2.gz AKDYAINRRNCREH-QMMMGPOBSA-N 1 0 247.298 1.915 10 0 BDAERO CCc1nc2n(n1)CCC[C@H]2[NH2+]C(C)C ZINC000125757679 172013840 /nfs/dbraw/zinc/01/38/40/172013840.db2.gz LVZKQXUYDVMPCV-SECBINFHSA-N 1 0 208.309 1.673 10 0 BDAERO CCc1nc2ccccc2n1[C@H]1C[NH2+]C[C@@H]1O ZINC000104253804 172013914 /nfs/dbraw/zinc/01/39/14/172013914.db2.gz UOBXQDYDTMLYJE-RYUDHWBXSA-N 1 0 231.299 1.104 10 0 BDAERO CCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](C)CC)CC2 ZINC000120541298 172015478 /nfs/dbraw/zinc/01/54/78/172015478.db2.gz OABIDCYDPMWBQG-MNOVXSKESA-N 1 0 236.363 1.791 10 0 BDAERO CCc1nc2scc(C[C@@H](C)[NH3+])n2n1 ZINC000011595870 172015487 /nfs/dbraw/zinc/01/54/87/172015487.db2.gz VVCWAZKLUODRIM-ZCFIWIBFSA-N 1 0 210.306 1.243 10 0 BDAERO CCc1ncnc(N2CCC[NH2+]CC2)c1C ZINC000045951051 172030357 /nfs/dbraw/zinc/03/03/57/172030357.db2.gz ASCHSDDMDNXPDU-UHFFFAOYSA-N 1 0 220.320 1.147 10 0 BDAERO CCc1ncnc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000045954951 172031581 /nfs/dbraw/zinc/03/15/81/172031581.db2.gz POXRCROUFOWLDP-LLVKDONJSA-N 1 0 234.347 1.759 10 0 BDAERO CCc1ncnc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000045955122 172033516 /nfs/dbraw/zinc/03/35/16/172033516.db2.gz OQSBJZWRLCUWPE-SNVBAGLBSA-N 1 0 220.320 1.511 10 0 BDAERO CCc1nnc2sc([C@@H]3CCC[NH2+]3)nn12 ZINC000032014505 172068661 /nfs/dbraw/zinc/06/86/61/172068661.db2.gz CYLZAONTWABSCW-LURJTMIESA-N 1 0 223.305 1.173 10 0 BDAERO CCn1c(C[NH2+]C)nc2cc(F)ccc21 ZINC000037439467 172145343 /nfs/dbraw/zinc/14/53/43/172145343.db2.gz BLFCRQQBKGOAJZ-UHFFFAOYSA-N 1 0 207.252 1.915 10 0 BDAERO CCn1c(SCC[NH3+])nnc1C1CC1 ZINC000058823423 172147941 /nfs/dbraw/zinc/14/79/41/172147941.db2.gz OTGWRIVHNJATIH-UHFFFAOYSA-N 1 0 212.322 1.226 10 0 BDAERO CCn1cc(C[NH3+])c(-c2ccncc2)n1 ZINC000082639182 172161864 /nfs/dbraw/zinc/16/18/64/172161864.db2.gz JLBRQOBZJGSLKY-UHFFFAOYSA-N 1 0 202.261 1.424 10 0 BDAERO CCn1cc(C[C@@H](Cc2ccncc2)[NH2+]C)cn1 ZINC000053135328 172176859 /nfs/dbraw/zinc/17/68/59/172176859.db2.gz HBWSOGRMDOAIMQ-CQSZACIVSA-N 1 0 244.342 1.671 10 0 BDAERO CCn1cc(C[C@@]2(C[NH3+])CCCOC2)cn1 ZINC000062193225 172177195 /nfs/dbraw/zinc/17/71/95/172177195.db2.gz IGCLWMYKZDCSTE-GFCCVEGCSA-N 1 0 223.320 1.201 10 0 BDAERO CCn1cc(C[C@@H](Cc2cccnc2)[NH2+]C)cn1 ZINC000053131182 172177306 /nfs/dbraw/zinc/17/73/06/172177306.db2.gz MCZABEHABJSARA-CQSZACIVSA-N 1 0 244.342 1.671 10 0 BDAERO CCn1cc(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)cn1 ZINC000054602064 172177737 /nfs/dbraw/zinc/17/77/37/172177737.db2.gz FMYDXJCCAINDCX-YOGCLGLASA-N 1 0 234.347 1.752 10 0 BDAERO CCn1cc([C@H]([NH3+])c2ccccn2)cn1 ZINC000043469137 172198688 /nfs/dbraw/zinc/19/86/88/172198688.db2.gz SEBRRQXGUOHSHE-NSHDSACASA-N 1 0 202.261 1.346 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@H](C)COC ZINC000085609375 172207061 /nfs/dbraw/zinc/20/70/61/172207061.db2.gz SMSXLEXDYIKJTK-LLVKDONJSA-N 1 0 210.321 1.880 10 0 BDAERO CCn1cccc1C[NH2+]C(C)(C)[C@@H](C)O ZINC000128160667 172207362 /nfs/dbraw/zinc/20/73/62/172207362.db2.gz BOYMEUVYRAXVCS-SNVBAGLBSA-N 1 0 210.321 1.757 10 0 BDAERO CCn1cccc1C[NH2+]C1(CO)CCC1 ZINC000129427840 172207420 /nfs/dbraw/zinc/20/74/20/172207420.db2.gz OWNNYHIQTXAKLH-UHFFFAOYSA-N 1 0 208.305 1.513 10 0 BDAERO CCn1cccc1C[NH2+]CCS(=O)(=O)CC ZINC000234190278 172207902 /nfs/dbraw/zinc/20/79/02/172207902.db2.gz FJNSWMSZLAJCAQ-UHFFFAOYSA-N 1 0 244.360 1.032 10 0 BDAERO CCn1cccc1C[NH2+][C@@H]1CCCOC1 ZINC000085609653 172208751 /nfs/dbraw/zinc/20/87/51/172208751.db2.gz ZTDMDIXFAVJAMP-LLVKDONJSA-N 1 0 208.305 1.777 10 0 BDAERO CCn1cccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000085609456 172209944 /nfs/dbraw/zinc/20/99/44/172209944.db2.gz RUHPRAVHVNAGNS-STQMWFEESA-N 1 0 222.332 1.901 10 0 BDAERO CCn1ccnc1N1CCC(CC[NH3+])CC1 ZINC000053705805 172225716 /nfs/dbraw/zinc/22/57/16/172225716.db2.gz OUWXGAJHGRDTMW-UHFFFAOYSA-N 1 0 222.336 1.468 10 0 BDAERO CCn1cc[nH+]c1N[C@@H]1CCCC[C@H]1O ZINC000052006193 172228299 /nfs/dbraw/zinc/22/82/99/172228299.db2.gz HUOCEJGYYDZUPU-NXEZZACHSA-N 1 0 209.293 1.618 10 0 BDAERO CCn1cc[nH+]c1NCc1cnc(C)cn1 ZINC000061321656 172228596 /nfs/dbraw/zinc/22/85/96/172228596.db2.gz XVOXLGPKEKMLRJ-UHFFFAOYSA-N 1 0 217.276 1.614 10 0 BDAERO CCn1ccnc1[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000011735155 172229385 /nfs/dbraw/zinc/22/93/85/172229385.db2.gz XXGLJRIEUVKHPY-LBPRGKRZSA-N 1 0 231.299 1.960 10 0 BDAERO CCn1cnnc1[C@H]([NH3+])Cc1ccccc1 ZINC000054497689 172239518 /nfs/dbraw/zinc/23/95/18/172239518.db2.gz VREURFXRVAGFHH-LLVKDONJSA-N 1 0 216.288 1.541 10 0 BDAERO CN(C(=O)CC1CC1)c1ccc(C[NH3+])cc1 ZINC000049728641 172301371 /nfs/dbraw/zinc/30/13/71/172301371.db2.gz ZULYHFUZZODJAC-UHFFFAOYSA-N 1 0 218.300 1.908 10 0 BDAERO CN(C(=O)CC1CC1)c1cccc(C[NH3+])c1 ZINC000061950453 172301571 /nfs/dbraw/zinc/30/15/71/172301571.db2.gz LUTQVBYFZQSMAL-UHFFFAOYSA-N 1 0 218.300 1.908 10 0 BDAERO CN(C(=O)C[NH2+]CCc1ccccc1)C1CC1 ZINC000049304533 172309271 /nfs/dbraw/zinc/30/92/71/172309271.db2.gz KUOKLMUGLQUZIO-UHFFFAOYSA-N 1 0 232.327 1.440 10 0 BDAERO CN(C(=O)C[NH2+]C1(C)CCCC1)C1CC1 ZINC000049305257 172309279 /nfs/dbraw/zinc/30/92/79/172309279.db2.gz RAJWADMHGTVXNZ-UHFFFAOYSA-N 1 0 210.321 1.530 10 0 BDAERO CN(C(=O)C[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000042165826 172313982 /nfs/dbraw/zinc/31/39/82/172313982.db2.gz SAWMJEIQWHRXFU-JTQLQIEISA-N 1 0 219.288 1.187 10 0 BDAERO CN(C(=O)NC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000037470255 172318125 /nfs/dbraw/zinc/31/81/25/172318125.db2.gz JUGYNPFKPIXCNJ-VIFPVBQESA-N 1 0 213.325 1.178 10 0 BDAERO CN(C(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000037541702 172323729 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/nfs/dbraw/zinc/29/61/19/173296119.db2.gz PZSAXKJEEDCFPH-PSASIEDQSA-N 1 0 221.304 1.131 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000044386209 173303370 /nfs/dbraw/zinc/30/33/70/173303370.db2.gz LRHRXATXXKQRIN-BDAKNGLRSA-N 1 0 224.304 1.682 10 0 BDAERO CNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745737 173304268 /nfs/dbraw/zinc/30/42/68/173304268.db2.gz SMATWBMOJQXOAO-SFYZADRCSA-N 1 0 240.278 1.359 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629299 173304374 /nfs/dbraw/zinc/30/43/74/173304374.db2.gz XXTJSMIGSYAJIB-UWVGGRQHSA-N 1 0 236.315 1.528 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCCCCCC1 ZINC000061300314 173317902 /nfs/dbraw/zinc/31/79/02/173317902.db2.gz UFMLXWBYFUCWIW-UHFFFAOYSA-N 1 0 212.337 1.777 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000061318962 173318157 /nfs/dbraw/zinc/31/81/57/173318157.db2.gz PVWGGCBUISKCAI-MNOVXSKESA-N 1 0 226.364 1.927 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(F)c(F)c1 ZINC000061300178 173318442 /nfs/dbraw/zinc/31/84/42/173318442.db2.gz NYBCRHIZONHCDG-UHFFFAOYSA-N 1 0 228.242 1.901 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc2n[nH]cc21 ZINC000061316776 173319296 /nfs/dbraw/zinc/31/92/96/173319296.db2.gz LPGKMAHQXPNIBD-UHFFFAOYSA-N 1 0 232.287 1.499 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccnn1C(C)C ZINC000061300093 173319361 /nfs/dbraw/zinc/31/93/61/173319361.db2.gz BRIFSASPOYLUKM-UHFFFAOYSA-N 1 0 224.308 1.401 10 0 BDAERO C[NH2+]C1(CNc2ccc(Cl)nc2)CC1 ZINC000034850033 173320837 /nfs/dbraw/zinc/32/08/37/173320837.db2.gz PIJUABPAIRZGKN-UHFFFAOYSA-N 1 0 211.696 1.899 10 0 BDAERO C[NH2+]C1CCC(c2nc(-c3nc[nH]n3)no2)CC1 ZINC000104068602 173322347 /nfs/dbraw/zinc/32/23/47/173322347.db2.gz IJJOIWNVAGIBBB-UHFFFAOYSA-N 1 0 248.290 1.100 10 0 BDAERO C[NH2+]CC(=O)N[C@H](CCOC)c1ccc(C)o1 ZINC000262743543 173333211 /nfs/dbraw/zinc/33/32/11/173333211.db2.gz KFJPJNDAOHAMGB-SNVBAGLBSA-N 1 0 240.303 1.001 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(Br)s1 ZINC000077425570 173333553 /nfs/dbraw/zinc/33/35/53/173333553.db2.gz GQSSBJLOJBGMHH-UHFFFAOYSA-N 1 0 249.133 1.669 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000037011954 173333927 /nfs/dbraw/zinc/33/39/27/173333927.db2.gz SLDMXEBLHIXYLG-UHFFFAOYSA-N 1 0 236.271 1.352 10 0 BDAERO C[NH2+]CC(=O)c1c[nH]c2c1cccc2OC ZINC000082597018 173334974 /nfs/dbraw/zinc/33/49/74/173334974.db2.gz QTIPPBMWVCWJPL-UHFFFAOYSA-N 1 0 218.256 1.579 10 0 BDAERO C[NH2+]CC(=O)c1c[nH]c2c1cccc2C ZINC000082592252 173335456 /nfs/dbraw/zinc/33/54/56/173335456.db2.gz XTMGHYKAAMSHKX-UHFFFAOYSA-N 1 0 202.257 1.878 10 0 BDAERO C[NH2+]CC(C)(C)CN1CCO[C@@H]2CCC[C@@H]21 ZINC000051252602 173337118 /nfs/dbraw/zinc/33/71/18/173337118.db2.gz UCRLQBNUNFCMJK-NWDGAFQWSA-N 1 0 226.364 1.485 10 0 BDAERO C[NH2+]CCC(=O)Nc1ccccc1-n1ccnc1 ZINC000043600256 173341945 /nfs/dbraw/zinc/34/19/45/173341945.db2.gz QGLJCMHIRBVJHM-UHFFFAOYSA-N 1 0 244.298 1.420 10 0 BDAERO C[NH2+]CCCC(=O)N(CCOC)[C@H](C)C1CC1 ZINC000037814784 173343434 /nfs/dbraw/zinc/34/34/34/173343434.db2.gz SXEVJHAFPCJFSX-LLVKDONJSA-N 1 0 242.363 1.260 10 0 BDAERO C[NH2+]CCCCc1ccc2c(c1)OCCO2 ZINC000019788141 173346295 /nfs/dbraw/zinc/34/62/95/173346295.db2.gz UNBGRWCLZKUDDF-UHFFFAOYSA-N 1 0 221.300 2.000 10 0 BDAERO C[NH2+]CCCNCc1c(OC)cccc1OC ZINC000083366298 173348577 /nfs/dbraw/zinc/34/85/77/173348577.db2.gz SNBXHCSTHVNJGP-UHFFFAOYSA-N 1 0 238.331 1.403 10 0 BDAERO C[NH2+]CCCNCc1cnn2ccccc12 ZINC000083349474 173349806 /nfs/dbraw/zinc/34/98/06/173349806.db2.gz QTBLKZIQWZSTIL-UHFFFAOYSA-N 1 0 218.304 1.033 10 0 BDAERO C[NH2+]CCCn1ncc(=O)c2ccccc21 ZINC000042410433 173350986 /nfs/dbraw/zinc/35/09/86/173350986.db2.gz NOHKMVMPUMYOLY-UHFFFAOYSA-N 1 0 217.272 1.006 10 0 BDAERO C[NH2+]CCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000120284519 173352222 /nfs/dbraw/zinc/35/22/22/173352222.db2.gz JWQIBTFQUBTBLF-KGLIPLIRSA-N 1 0 246.354 1.776 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc2c(c1)CCCO2 ZINC000077424835 173353127 /nfs/dbraw/zinc/35/31/27/173353127.db2.gz JKABALXTWPUJRR-UHFFFAOYSA-N 1 0 248.370 1.705 10 0 BDAERO C[NH2+]CCNc1ccc(OC)c(OC)c1 ZINC000077303999 173356973 /nfs/dbraw/zinc/35/69/73/173356973.db2.gz BUYCEKALBBMBRC-UHFFFAOYSA-N 1 0 210.277 1.335 10 0 BDAERO C[NH2+]CCOc1nc2ccccc2nc1C ZINC000052099689 173357690 /nfs/dbraw/zinc/35/76/90/173357690.db2.gz OKMMRCIWXQZDQU-UHFFFAOYSA-N 1 0 217.272 1.536 10 0 BDAERO C[NH2+]CCOc1nncc2ccccc21 ZINC000051866803 173357754 /nfs/dbraw/zinc/35/77/54/173357754.db2.gz JGHCYUIJCJTKEA-UHFFFAOYSA-N 1 0 203.245 1.228 10 0 BDAERO C[NH2+]CC[C@@H](O)c1ccc(OC)cc1OC ZINC000049820068 173358076 /nfs/dbraw/zinc/35/80/76/173358076.db2.gz GHMJYWTZJPYMIE-LLVKDONJSA-N 1 0 225.288 1.347 10 0 BDAERO C[NH2+]CC[C@@H](O)c1cc(OC)c(C)cc1OC ZINC000071549500 173358252 /nfs/dbraw/zinc/35/82/52/173358252.db2.gz MWIAHSHSKZUNCT-LLVKDONJSA-N 1 0 239.315 1.655 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1cccc(F)c1 ZINC000077340129 173358775 /nfs/dbraw/zinc/35/87/75/173358775.db2.gz UMFRFCKINJDMJU-LBPRGKRZSA-N 1 0 226.295 1.232 10 0 BDAERO C[NH2+]CC[C@H](O)c1ccc(OC)c(C)c1OC ZINC000071549524 173358973 /nfs/dbraw/zinc/35/89/73/173358973.db2.gz RGSYGNPLUCRTHR-NSHDSACASA-N 1 0 239.315 1.655 10 0 BDAERO C[NH2+]CCn1c(=O)ccc2ccccc21 ZINC000039121460 173361570 /nfs/dbraw/zinc/36/15/70/173361570.db2.gz IRYVZRBNESVEMB-UHFFFAOYSA-N 1 0 202.257 1.221 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)N1CCCSCC1 ZINC000052370953 173361629 /nfs/dbraw/zinc/36/16/29/173361629.db2.gz WFQSHYPTOSAVFD-NSHDSACASA-N 1 0 216.394 1.669 10 0 BDAERO C[NH2+]CCc1nnc(CCc2cccc(C)c2)o1 ZINC000051986605 173361868 /nfs/dbraw/zinc/36/18/68/173361868.db2.gz DKNUATPCQFSDDH-UHFFFAOYSA-N 1 0 245.326 1.925 10 0 BDAERO C[NH2+]CCc1noc(-c2c(F)cccc2F)n1 ZINC000051850701 173362067 /nfs/dbraw/zinc/36/20/67/173362067.db2.gz XLLMMBYWDUECQX-UHFFFAOYSA-N 1 0 239.225 1.777 10 0 BDAERO C[NH2+]CCc1noc([C@H]2CCCCO2)n1 ZINC000051850570 173362119 /nfs/dbraw/zinc/36/21/19/173362119.db2.gz OFRQYEJOTVLWBL-MRVPVSSYSA-N 1 0 211.265 1.073 10 0 BDAERO C[NH2+]CCn1ccc2cc(OC)ccc21 ZINC000053527514 173362156 /nfs/dbraw/zinc/36/21/56/173362156.db2.gz OSUFUXTVSKSMJM-UHFFFAOYSA-N 1 0 204.273 1.869 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)n1cc(Cl)cn1 ZINC000052577361 173362451 /nfs/dbraw/zinc/36/24/51/173362451.db2.gz FRZVSIGHTPRXEF-VIFPVBQESA-N 1 0 201.701 1.953 10 0 BDAERO C[NH2+]C[C@@H](C)c1c(C)nc(N(C)C)nc1C ZINC000054854725 173365172 /nfs/dbraw/zinc/36/51/72/173365172.db2.gz YMMIPCLXLDTJOD-MRVPVSSYSA-N 1 0 222.336 1.482 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1ccc(C)cc1C ZINC000019686887 173365406 /nfs/dbraw/zinc/36/54/06/173365406.db2.gz YEPSPWYKLNIVQY-LLVKDONJSA-N 1 0 225.357 1.976 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1cc(C(C)C)ccc1OC ZINC000041278996 173365830 /nfs/dbraw/zinc/36/58/30/173365830.db2.gz YBMCSPFCHZIEFI-ZDUSSCGKSA-N 1 0 237.343 1.941 10 0 BDAERO C[NH2+]C[C@@H](O)Cc1ccc(OC)c(C(C)C)c1 ZINC000041278988 173365909 /nfs/dbraw/zinc/36/59/09/173365909.db2.gz GIEQBSYIGBHQSN-LBPRGKRZSA-N 1 0 237.343 1.941 10 0 BDAERO C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000037871878 173365936 /nfs/dbraw/zinc/36/59/36/173365936.db2.gz DRVGRWMTVCTEFG-SECBINFHSA-N 1 0 219.206 1.958 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(Br)c(N)c1 ZINC000082552119 173366086 /nfs/dbraw/zinc/36/60/86/173366086.db2.gz XZUJSGPBAYILAR-SECBINFHSA-N 1 0 245.120 1.284 10 0 BDAERO C[NH2+]C[C@@H]1CCCN([C@@H]2CCCCC2=O)C1 ZINC000050158860 173367747 /nfs/dbraw/zinc/36/77/47/173367747.db2.gz FGPZICCCTVLETR-NWDGAFQWSA-N 1 0 224.348 1.430 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C(=O)Oc2ccccc2)C1 ZINC000071144181 173369593 /nfs/dbraw/zinc/36/95/93/173369593.db2.gz UZCPSLWWMHEAKO-NSHDSACASA-N 1 0 234.299 1.727 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(O)c2)C1 ZINC000071144087 173369765 /nfs/dbraw/zinc/36/97/65/173369765.db2.gz VXMZNLDVENCZEX-JTQLQIEISA-N 1 0 234.299 1.074 10 0 BDAERO C[NH2+]C[C@@H]1CN(Cc2cccc(C)c2)CCO1 ZINC000071544590 173371991 /nfs/dbraw/zinc/37/19/91/173371991.db2.gz RRESWEGVSGXFPS-CQSZACIVSA-N 1 0 234.343 1.415 10 0 BDAERO C[NH2+]C[C@@H]1OCCN(C)[C@@H]1c1ccccc1 ZINC000069797538 173372225 /nfs/dbraw/zinc/37/22/25/173372225.db2.gz HSRFSSLZCICRJK-QWHCGFSZSA-N 1 0 220.316 1.278 10 0 BDAERO C[NH2+]C[C@@](C)(O)Cc1ccc(Cl)cc1 ZINC000019684523 173372525 /nfs/dbraw/zinc/37/25/25/173372525.db2.gz QCBQUKFTOGAKMK-NSHDSACASA-N 1 0 213.708 1.853 10 0 BDAERO C[NH2+]C[C@@]1(Cc2ccccc2)CCOC1 ZINC000054663728 173373139 /nfs/dbraw/zinc/37/31/39/173373139.db2.gz BOXAJFHJJXWSHZ-ZDUSSCGKSA-N 1 0 205.301 1.855 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccc(OC)c(F)c1 ZINC000036158988 173373277 /nfs/dbraw/zinc/37/32/77/173373277.db2.gz SOYUBSXQVSKDLJ-LLVKDONJSA-N 1 0 213.252 1.261 10 0 BDAERO C[NH2+]C[C@H](C)COc1cccc(N(C)C)c1 ZINC000041241464 173376108 /nfs/dbraw/zinc/37/61/08/173376108.db2.gz GWKIBLXJZQENJC-NSHDSACASA-N 1 0 222.332 1.987 10 0 BDAERO C[NH2+]C[C@H](O)COc1c(C)cc(C)cc1C ZINC000032014571 173376939 /nfs/dbraw/zinc/37/69/39/173376939.db2.gz IWDIORLVKICKGL-LBPRGKRZSA-N 1 0 223.316 1.571 10 0 BDAERO C[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000019864667 173376942 /nfs/dbraw/zinc/37/69/42/173376942.db2.gz DQHDNCVCRGHKBE-NSHDSACASA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+]C[C@H](O)c1cc(C)c(N)c(Cl)c1 ZINC000075624710 173376945 /nfs/dbraw/zinc/37/69/45/173376945.db2.gz SNLHUUKESPAKSO-VIFPVBQESA-N 1 0 214.696 1.483 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1C[C@H](O)c1ccccc1 ZINC000063169272 173378198 /nfs/dbraw/zinc/37/81/98/173378198.db2.gz IVQLGAOJSDWAMT-CABCVRRESA-N 1 0 248.370 1.794 10 0 BDAERO C[NH2+]C[C@H]1CN(c2cccc(F)c2)C(=O)O1 ZINC000077336769 173382428 /nfs/dbraw/zinc/38/24/28/173382428.db2.gz ZUCWXBSTTOTUGX-JTQLQIEISA-N 1 0 224.235 1.370 10 0 BDAERO C[NH2+]C[C@](C)(O)c1cc(C)ccc1OC ZINC000011803613 173383233 /nfs/dbraw/zinc/38/32/33/173383233.db2.gz UHHMZBYYULZHCH-LBPRGKRZSA-N 1 0 209.289 1.431 10 0 BDAERO C[NH2+]C[C@]1(Cc2cccs2)CCOC1 ZINC000054663763 173384072 /nfs/dbraw/zinc/38/40/72/173384072.db2.gz KPLRRMSPPXSFNN-LLVKDONJSA-N 1 0 211.330 1.917 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C ZINC000071403685 173386075 /nfs/dbraw/zinc/38/60/75/173386075.db2.gz CHLZXISMOKVNSM-SNVBAGLBSA-N 1 0 236.315 1.228 10 0 BDAERO C[NH2+]Cc1cc(F)ccc1N1CC[C@H](O)C1 ZINC000061711292 173387195 /nfs/dbraw/zinc/38/71/95/173387195.db2.gz WIPKTBJJVDVCBL-NSHDSACASA-N 1 0 224.279 1.116 10 0 BDAERO C[NH2+]Cc1cc(F)c(-n2cncn2)c(F)c1 ZINC000062719492 173387415 /nfs/dbraw/zinc/38/74/15/173387415.db2.gz SHECRUCUYJVIDA-UHFFFAOYSA-N 1 0 224.214 1.265 10 0 BDAERO C[NH2+]Cc1cc(F)c(-n2cccn2)c(F)c1 ZINC000062719470 173387592 /nfs/dbraw/zinc/38/75/92/173387592.db2.gz ASXXYWZVNJSJCU-UHFFFAOYSA-N 1 0 223.226 1.870 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)c2ccc[nH]2)c1 ZINC000036282735 173389736 /nfs/dbraw/zinc/38/97/36/173389736.db2.gz ZLVBBCMGKZTHOZ-UHFFFAOYSA-N 1 0 229.283 1.986 10 0 BDAERO C[NH2+]Cc1ccoc1Cn1nc(C)nc1C ZINC000052574352 173391250 /nfs/dbraw/zinc/39/12/50/173391250.db2.gz KAQCLSNZIWUHTB-UHFFFAOYSA-N 1 0 220.276 1.256 10 0 BDAERO C[NH2+]Cc1cnc(-c2ncccn2)s1 ZINC000040996582 173392099 /nfs/dbraw/zinc/39/20/99/173392099.db2.gz QKHVPZHSCQGSHN-UHFFFAOYSA-N 1 0 206.274 1.320 10 0 BDAERO C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000089201988 173392183 /nfs/dbraw/zinc/39/21/83/173392183.db2.gz VQRXTKNDNNPVJU-UHFFFAOYSA-N 1 0 240.104 1.816 10 0 BDAERO C[NH2+]Cc1cnc(N2CCCSCC2)s1 ZINC000054909464 173392615 /nfs/dbraw/zinc/39/26/15/173392615.db2.gz ZJVAJXCYZYAIBF-UHFFFAOYSA-N 1 0 243.401 1.806 10 0 BDAERO C[NH2+]Cc1cnn([C@H]2CCCC[C@H]2O)c1 ZINC000054600000 173392850 /nfs/dbraw/zinc/39/28/50/173392850.db2.gz DNUDQBJZUJPLDS-WDEREUQCSA-N 1 0 209.293 1.079 10 0 BDAERO C[NH2+]Cc1coc(Cn2ccnc2C)c1 ZINC000052576136 173393132 /nfs/dbraw/zinc/39/31/32/173393132.db2.gz UDGQFZHCGJUTEQ-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+]Cc1cnn([C@@H]2CCCC[C@H]2O)c1C ZINC000054600031 173393378 /nfs/dbraw/zinc/39/33/78/173393378.db2.gz RCBRWZGIRBEIAQ-VXGBXAGGSA-N 1 0 223.320 1.387 10 0 BDAERO C[NH2+]Cc1nc(CN2CCOC[C@H]2C)cs1 ZINC000052475659 173395047 /nfs/dbraw/zinc/39/50/47/173395047.db2.gz MLGXHPZOVSDIGE-SECBINFHSA-N 1 0 241.360 1.083 10 0 BDAERO C[NH2+]Cc1nc(-c2ccn(C)c2)cs1 ZINC000071510591 173395121 /nfs/dbraw/zinc/39/51/21/173395121.db2.gz QGNANSFQUSPKJN-UHFFFAOYSA-N 1 0 207.302 1.868 10 0 BDAERO C[NH2+]Cc1nc(Cn2ccnc2C)cs1 ZINC000052576267 173395346 /nfs/dbraw/zinc/39/53/46/173395346.db2.gz VOMFRRYYAWBRHW-UHFFFAOYSA-N 1 0 222.317 1.416 10 0 BDAERO C[NH2+]Cc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000036877290 173395515 /nfs/dbraw/zinc/39/55/15/173395515.db2.gz FYDAIMZQXLYTDN-UHFFFAOYSA-N 1 0 205.236 1.935 10 0 BDAERO C[NH2+]Cc1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000053994563 173396351 /nfs/dbraw/zinc/39/63/51/173396351.db2.gz UHDFUUIRYAKADS-NSHDSACASA-N 1 0 245.326 1.935 10 0 BDAERO C[NH2+]Cc1nnc(-c2sccc2C)o1 ZINC000050615354 173397078 /nfs/dbraw/zinc/39/70/78/173397078.db2.gz RTFDTWGDIWCMFD-UHFFFAOYSA-N 1 0 209.274 1.826 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(C)s2)o1 ZINC000050615351 173397251 /nfs/dbraw/zinc/39/72/51/173397251.db2.gz QHOBRHDOGQNMGN-UHFFFAOYSA-N 1 0 209.274 1.826 10 0 BDAERO C[NH2+]Cc1nc(-c2ccccc2OC)c[nH]1 ZINC000036877284 173397729 /nfs/dbraw/zinc/39/77/29/173397729.db2.gz FDBGHHQFMVYQNN-UHFFFAOYSA-N 1 0 217.272 1.805 10 0 BDAERO C[NH2+]Cc1nccn1Cc1c(C)noc1C ZINC000051004394 173397772 /nfs/dbraw/zinc/39/77/72/173397772.db2.gz KUJOYBIQWZXFQC-UHFFFAOYSA-N 1 0 220.276 1.256 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(F)c(F)c2)o1 ZINC000050615343 173398113 /nfs/dbraw/zinc/39/81/13/173398113.db2.gz UYHKUKNOMPJJGU-UHFFFAOYSA-N 1 0 225.198 1.734 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccccc2F)o1 ZINC000050615293 173398141 /nfs/dbraw/zinc/39/81/41/173398141.db2.gz YOCIQAWOFYSXSS-UHFFFAOYSA-N 1 0 207.208 1.595 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H](C)c1ccsc1 ZINC000061367344 173398933 /nfs/dbraw/zinc/39/89/33/173398933.db2.gz WEZSMAXMADGHIQ-SSDOTTSWSA-N 1 0 223.305 1.063 10 0 BDAERO C[NH2+][C@H](C)Cc1nc(-c2ccccc2OC)no1 ZINC000104154488 173447202 /nfs/dbraw/zinc/44/72/02/173447202.db2.gz PLTGRXXZJYTWLK-SECBINFHSA-N 1 0 247.298 1.896 10 0 BDAERO C[NH2+][C@H](C)c1ccc(N2C(=O)C[C@@H](C)C2=O)cc1 ZINC000038051969 173448235 /nfs/dbraw/zinc/44/82/35/173448235.db2.gz YGAROIQDMPPAOG-NXEZZACHSA-N 1 0 246.310 1.866 10 0 BDAERO C[NH2+][C@H](c1cnn(C)c1)c1cccs1 ZINC000035499948 173458831 /nfs/dbraw/zinc/45/88/31/173458831.db2.gz BMBHTQYGKSVQHX-SNVBAGLBSA-N 1 0 207.302 1.790 10 0 BDAERO C[NH2+][C@H]1CCN([C@@H](C)Cc2ccsc2)C1=O ZINC000049649170 173465772 /nfs/dbraw/zinc/46/57/72/173465772.db2.gz XDLGVHLGYZIJKR-ONGXEEELSA-N 1 0 238.356 1.499 10 0 BDAERO COC1CC([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000336754467 174019156 /nfs/dbraw/zinc/01/91/56/174019156.db2.gz HKAXNIADZYOISG-HBIQZDMRSA-N 1 0 213.321 1.711 10 0 BDAERO COC1CCN(C(=O)C2(C)CC[NH2+]CC2)CC1 ZINC000062839783 174025143 /nfs/dbraw/zinc/02/51/43/174025143.db2.gz IWHMKYVIPSBBPF-UHFFFAOYSA-N 1 0 240.347 1.014 10 0 BDAERO COCC1(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)CCC1 ZINC000361389075 174104828 /nfs/dbraw/zinc/10/48/28/174104828.db2.gz IGKXKPLTNJHKCJ-MNOVXSKESA-N 1 0 240.347 1.060 10 0 BDAERO COCCCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000103226121 174178336 /nfs/dbraw/zinc/17/83/36/174178336.db2.gz KPXZKPVOKTWCOB-GFCCVEGCSA-N 1 0 242.363 1.356 10 0 BDAERO COCCCCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309984959 174184736 /nfs/dbraw/zinc/18/47/36/174184736.db2.gz XWSWFJOKILAYGO-QWRGUYRKSA-N 1 0 228.336 1.060 10 0 BDAERO COCCCC[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000096033771 174200007 /nfs/dbraw/zinc/20/00/07/174200007.db2.gz RUNUJPXLOOVJIT-QWRGUYRKSA-N 1 0 215.337 1.959 10 0 BDAERO COCCCN(C)C(=O)[C@H]1[C@H]([NH3+])CCC[C@@H]1C ZINC000062034707 174212336 /nfs/dbraw/zinc/21/23/36/174212336.db2.gz XAVHKSPVYGTQMJ-QJPTWQEYSA-N 1 0 242.363 1.245 10 0 BDAERO COCCC[N@H+](CCCCC(C)=O)CCOC ZINC000042423582 174222826 /nfs/dbraw/zinc/22/28/26/174222826.db2.gz CISNTRWVPJFMIY-UHFFFAOYSA-N 1 0 245.363 1.731 10 0 BDAERO COCCC[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032827 174233264 /nfs/dbraw/zinc/23/32/64/174233264.db2.gz UDFRERMLAOIQBM-UHFFFAOYSA-N 1 0 220.316 1.663 10 0 BDAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037264765 174243740 /nfs/dbraw/zinc/24/37/40/174243740.db2.gz MCGSFEUCPFYUAP-NWDGAFQWSA-N 1 0 244.379 1.552 10 0 BDAERO COCCC[NH2+]CCOc1ccccc1 ZINC000041218595 174246707 /nfs/dbraw/zinc/24/67/07/174246707.db2.gz UIZFRFIZNQGIFW-UHFFFAOYSA-N 1 0 209.289 1.692 10 0 BDAERO COCCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000037859419 174247049 /nfs/dbraw/zinc/24/70/49/174247049.db2.gz SKWHSTVZBSWTSF-GFCCVEGCSA-N 1 0 243.734 2.000 10 0 BDAERO COCCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128874065 174249386 /nfs/dbraw/zinc/24/93/86/174249386.db2.gz WCPVYAYDQPIUAQ-CHWSQXEVSA-N 1 0 237.347 1.993 10 0 BDAERO COCCCOC[C@@H]([NH3+])c1ccccc1OC ZINC000037747172 174254987 /nfs/dbraw/zinc/25/49/87/174254987.db2.gz JHRBJXNZEKOBOX-GFCCVEGCSA-N 1 0 239.315 1.748 10 0 BDAERO COCCN(C(=O)C[NH2+]C1CC1)[C@H](C)C1CC1 ZINC000037814780 174268797 /nfs/dbraw/zinc/26/87/97/174268797.db2.gz KWZHWHBHLUEADM-SNVBAGLBSA-N 1 0 240.347 1.012 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1ccccc1F ZINC000041247226 174283345 /nfs/dbraw/zinc/28/33/45/174283345.db2.gz JFDMOZYVCPWSBJ-GFCCVEGCSA-N 1 0 226.295 1.404 10 0 BDAERO COCCN(C)[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042972450 174283933 /nfs/dbraw/zinc/28/39/33/174283933.db2.gz BLKDEKBGZNRTBB-GWCFXTLKSA-N 1 0 240.322 1.792 10 0 BDAERO COCCN(CC[NH3+])Cc1cccc(C)c1 ZINC000032014358 174292445 /nfs/dbraw/zinc/29/24/45/174292445.db2.gz CJXWPROVXVOQIH-UHFFFAOYSA-N 1 0 222.332 1.402 10 0 BDAERO COCCN(C[C@](C)([NH3+])C1CC1)[C@@H](C)COC ZINC000042610817 174296885 /nfs/dbraw/zinc/29/68/85/174296885.db2.gz SXLZNHRCGVXDKA-AAEUAGOBSA-N 1 0 244.379 1.097 10 0 BDAERO COCC[N@H+]([C@H](C)CC(=O)OC)[C@@H](C)C1CC1 ZINC000042680349 174302131 /nfs/dbraw/zinc/30/21/31/174302131.db2.gz IKKCBBYLFWWWCI-MNOVXSKESA-N 1 0 243.347 1.685 10 0 BDAERO COCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171412244 174306284 /nfs/dbraw/zinc/30/62/84/174306284.db2.gz BLRSFRFVCMIHGJ-LLVKDONJSA-N 1 0 209.293 1.203 10 0 BDAERO COCCN1CCC[NH2+][C@@H](CC(C)C)C1 ZINC000062571856 174306741 /nfs/dbraw/zinc/30/67/41/174306741.db2.gz VMYQLSZZNHBOIP-LBPRGKRZSA-N 1 0 214.353 1.343 10 0 BDAERO COCCN1C[C@H](C(C)C)[NH2+]C[C@H]1CC(C)C ZINC000062620956 174317859 /nfs/dbraw/zinc/31/78/59/174317859.db2.gz VHMCSGQADPNDEH-ZIAGYGMSSA-N 1 0 242.407 1.977 10 0 BDAERO COCC[NH2+]C[C@H]1CCCN1c1ccccn1 ZINC000053697703 174334603 /nfs/dbraw/zinc/33/46/03/174334603.db2.gz KNZPLLFQVKPWCF-GFCCVEGCSA-N 1 0 235.331 1.286 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000032015839 174334633 /nfs/dbraw/zinc/33/46/33/174334633.db2.gz PXSBKAWMNHIZKP-LLVKDONJSA-N 1 0 229.707 1.609 10 0 BDAERO COCC[NH2+]C[C@H](O)c1cc(F)ccc1OC ZINC000049831304 174334886 /nfs/dbraw/zinc/33/48/86/174334886.db2.gz CQPVDXQFOGNETM-NSHDSACASA-N 1 0 243.278 1.104 10 0 BDAERO COCC[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000019881604 174337655 /nfs/dbraw/zinc/33/76/55/174337655.db2.gz SPGUQWFNALRZEK-VIFPVBQESA-N 1 0 225.288 1.698 10 0 BDAERO COCC[NH2+][C@H](CO)c1c(C)cc(C)cc1C ZINC000053292260 174340494 /nfs/dbraw/zinc/34/04/94/174340494.db2.gz HGWNUIDYJMIEKJ-CYBMUJFWSA-N 1 0 237.343 1.881 10 0 BDAERO COCCNc1nc(C[C@H](C)[NH3+])cs1 ZINC000028509367 174341481 /nfs/dbraw/zinc/34/14/81/174341481.db2.gz GUCXLQBJMZQMJY-ZETCQYMHSA-N 1 0 215.322 1.091 10 0 BDAERO COCCO[C@@H]1CC[C@@H](C(F)(F)F)C[C@@H]1[NH3+] ZINC000020282253 174365004 /nfs/dbraw/zinc/36/50/04/174365004.db2.gz BTHKLTHNADHFKV-HRDYMLBCSA-N 1 0 241.253 1.708 10 0 BDAERO COCCOc1ccc(CC(N)=[NH2+])cc1 ZINC000019475345 174367255 /nfs/dbraw/zinc/36/72/55/174367255.db2.gz DAOQOYDMDPMKDE-UHFFFAOYSA-N 1 0 208.261 1.190 10 0 BDAERO COCC[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336769659 174385752 /nfs/dbraw/zinc/38/57/52/174385752.db2.gz SEOAUQYCYYGWJN-NXEZZACHSA-N 1 0 228.336 1.058 10 0 BDAERO COCC[C@]1([NH3+])CCc2ccccc2C1 ZINC000053759057 174421307 /nfs/dbraw/zinc/42/13/07/174421307.db2.gz LNRDOCALKVLLDO-CYBMUJFWSA-N 1 0 205.301 1.909 10 0 BDAERO COc1cc(O)cc2c1[C@H](C)[NH2+][C@H](C)C2 ZINC000039105628 175006023 /nfs/dbraw/zinc/00/60/23/175006023.db2.gz RNCDEHUVRUVRIQ-SFYZADRCSA-N 1 0 207.273 1.996 10 0 BDAERO COc1cc(OC)c([C@H]2C[C@H]2[NH3+])cc1OC ZINC000037381562 175007833 /nfs/dbraw/zinc/00/78/33/175007833.db2.gz WRUZWMMBYLENFM-VXNVDRBHSA-N 1 0 223.272 1.527 10 0 BDAERO COc1cc(OC)c([C@@H](C[NH3+])OC)c(OC)c1 ZINC000096890774 175007998 /nfs/dbraw/zinc/00/79/98/175007998.db2.gz QHYROAOJWNNCBW-LLVKDONJSA-N 1 0 241.287 1.359 10 0 BDAERO COc1cc([C@@H]([NH3+])c2cnn(C)c2)ccc1C ZINC000034957629 175014373 /nfs/dbraw/zinc/01/43/73/175014373.db2.gz AYKRXBBVZNKQHR-CYBMUJFWSA-N 1 0 231.299 1.785 10 0 BDAERO COc1cc2nc(CC[NH3+])[nH]c2cc1OC ZINC000011567881 175028312 /nfs/dbraw/zinc/02/83/12/175028312.db2.gz VVEFQSPJSMJVCB-UHFFFAOYSA-N 1 0 221.260 1.081 10 0 BDAERO COc1ccc(-c2cnc(CC[NH3+])o2)cc1 ZINC000011587015 175035712 /nfs/dbraw/zinc/03/57/12/175035712.db2.gz GCBLBYOVQNKTMQ-UHFFFAOYSA-N 1 0 218.256 1.851 10 0 BDAERO COc1ccc(-n2nncc2C[NH3+])cc1Cl ZINC000062237949 175045587 /nfs/dbraw/zinc/04/55/87/175045587.db2.gz LKFQHKJPDKTCAT-UHFFFAOYSA-N 1 0 238.678 1.388 10 0 BDAERO COc1ccc(C(=O)C[NH2+]C(C)C)c(OC)c1 ZINC000049828701 175053551 /nfs/dbraw/zinc/05/35/51/175053551.db2.gz KLSIIJLEAMTNEF-UHFFFAOYSA-N 1 0 237.299 1.885 10 0 BDAERO COc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170863706 175057126 /nfs/dbraw/zinc/05/71/26/175057126.db2.gz FSRLWVMKSDOEDG-GFCCVEGCSA-N 1 0 248.326 1.471 10 0 BDAERO COc1ccc(C(CC[NH3+])(OC)OC)cc1C ZINC000057529821 175069956 /nfs/dbraw/zinc/06/99/56/175069956.db2.gz CDTVUCMQBQKRJT-UHFFFAOYSA-N 1 0 239.315 1.798 10 0 BDAERO COc1ccc(C)cc1CC1(O)CC[NH2+]CC1 ZINC000041266257 175073827 /nfs/dbraw/zinc/07/38/27/175073827.db2.gz NYATZUUEIKORHZ-UHFFFAOYSA-N 1 0 235.327 1.661 10 0 BDAERO COc1ccc(C)cc1C1(C[NH3+])OCCCO1 ZINC000057528791 175073976 /nfs/dbraw/zinc/07/39/76/175073976.db2.gz NTCQCJDYMVOJIE-UHFFFAOYSA-N 1 0 237.299 1.552 10 0 BDAERO COc1ccc(C)cc1CN1CCC[NH2+]CC1=O ZINC000071563072 175074600 /nfs/dbraw/zinc/07/46/00/175074600.db2.gz VXGQGAHFLFWFMP-UHFFFAOYSA-N 1 0 248.326 1.326 10 0 BDAERO COc1ccc(C)cc1CC[NH2+][C@H](C)CO ZINC000098124835 175074962 /nfs/dbraw/zinc/07/49/62/175074962.db2.gz PFBXXVVPIOSODX-LLVKDONJSA-N 1 0 223.316 1.517 10 0 BDAERO COc1ccc(C)cc1CN(C)C(=O)[C@@H](C)[NH3+] ZINC000040855504 175075257 /nfs/dbraw/zinc/07/52/57/175075257.db2.gz MDUSGDYCQVXPEG-SNVBAGLBSA-N 1 0 236.315 1.309 10 0 BDAERO COc1ccc(C)cc1CO[C@@H]1CC[NH2+]C1 ZINC000051782701 175076362 /nfs/dbraw/zinc/07/63/62/175076362.db2.gz LSYNFISRZIAKTR-GFCCVEGCSA-N 1 0 221.300 1.882 10 0 BDAERO COc1ccc(C2(O)CC[NH2+]CC2)c(OC)c1 ZINC000055232514 175084432 /nfs/dbraw/zinc/08/44/32/175084432.db2.gz PPCFLEMUUOLGON-UHFFFAOYSA-N 1 0 237.299 1.275 10 0 BDAERO COc1ccc(C2([NH3+])CCOCC2)cc1OC ZINC000011883653 175084534 /nfs/dbraw/zinc/08/45/34/175084534.db2.gz UNKRBTHXDDFODV-UHFFFAOYSA-N 1 0 237.299 1.668 10 0 BDAERO COc1ccc(CC(=O)[C@@H](C)[NH3+])cc1F ZINC000082373635 175087253 /nfs/dbraw/zinc/08/72/53/175087253.db2.gz YEHBNJQQSLDCPO-SSDOTTSWSA-N 1 0 211.236 1.293 10 0 BDAERO COc1ccc(CCC[C@H](O)C[NH3+])cc1 ZINC000071511673 175090081 /nfs/dbraw/zinc/09/00/81/175090081.db2.gz SABPJOKXYDYXHJ-NSHDSACASA-N 1 0 209.289 1.338 10 0 BDAERO COc1ccc(CCOCC[NH3+])c(Cl)c1 ZINC000077358832 175092917 /nfs/dbraw/zinc/09/29/17/175092917.db2.gz UXJAOABQDZSSIR-UHFFFAOYSA-N 1 0 229.707 1.866 10 0 BDAERO COc1ccc(CCOCC[NH3+])c(C)c1C ZINC000077336059 175093122 /nfs/dbraw/zinc/09/31/22/175093122.db2.gz PXIUIDNWVPJHGW-UHFFFAOYSA-N 1 0 223.316 1.830 10 0 BDAERO COc1ccc(CN2CC[N@H+](C)[C@@H](C)C2)cc1N ZINC000104145319 175100388 /nfs/dbraw/zinc/10/03/88/175100388.db2.gz DEVLNSRMOJJEEE-NSHDSACASA-N 1 0 249.358 1.413 10 0 BDAERO COc1ccc(CN2CC[NH2+]C[C@@H](C)C2)cc1 ZINC000049660998 175100645 /nfs/dbraw/zinc/10/06/45/175100645.db2.gz PFBNDDPLVISIJS-GFCCVEGCSA-N 1 0 234.343 1.737 10 0 BDAERO COc1ccc(C[NH2+]CCN(C)C)c(F)c1 ZINC000083354770 175106825 /nfs/dbraw/zinc/10/68/25/175106825.db2.gz YUOSEVAXRIKBID-UHFFFAOYSA-N 1 0 226.295 1.486 10 0 BDAERO COc1ccc(COCC[NH3+])c(OC)c1 ZINC000057939158 175113390 /nfs/dbraw/zinc/11/33/90/175113390.db2.gz FLXHNSLVBOWXTC-UHFFFAOYSA-N 1 0 211.261 1.179 10 0 BDAERO COc1ccc(C[C@@H]([NH3+])c2cnn(C)c2)cc1 ZINC000034957712 175115798 /nfs/dbraw/zinc/11/57/98/175115798.db2.gz ZKJQNMBBYPQCMF-CYBMUJFWSA-N 1 0 231.299 1.671 10 0 BDAERO COc1ccc(F)cc1CC[NH2+][C@H](C)CO ZINC000098125072 175128704 /nfs/dbraw/zinc/12/87/04/175128704.db2.gz WVISOKXJGFBQPI-SECBINFHSA-N 1 0 227.279 1.347 10 0 BDAERO COc1ccc(F)cc1CN1CCC[C@H]([NH3+])C1 ZINC000041029109 175128764 /nfs/dbraw/zinc/12/87/64/175128764.db2.gz UPKIEBOIVKNXBX-LBPRGKRZSA-N 1 0 238.306 1.757 10 0 BDAERO COc1ccc(F)cc1[C@H](O)CC[NH+](C)C ZINC000049820804 175134139 /nfs/dbraw/zinc/13/41/39/175134139.db2.gz WOZLHGXTECRZAT-LLVKDONJSA-N 1 0 227.279 1.819 10 0 BDAERO COc1ccc(F)cc1[C@H](O)[C@H]([NH3+])C(C)C ZINC000071533179 175134351 /nfs/dbraw/zinc/13/43/51/175134351.db2.gz YOANPAJBXWSNJD-NEPJUHHUSA-N 1 0 227.279 1.851 10 0 BDAERO COc1ccc(N2CC[C@]3(CCC[N@@H+]3C)C2)nn1 ZINC000090548206 175139539 /nfs/dbraw/zinc/13/95/39/175139539.db2.gz RBJGQPHCFSPHQY-CYBMUJFWSA-N 1 0 248.330 1.160 10 0 BDAERO COc1ccc(NC(=O)[C@H](C)C[NH3+])cc1C ZINC000044806395 175146448 /nfs/dbraw/zinc/14/64/48/175146448.db2.gz KDJJRFAHRFMCFR-SECBINFHSA-N 1 0 222.288 1.537 10 0 BDAERO COc1ccc(NCc2c[nH]c(C)n2)cn1 ZINC000054797688 175151370 /nfs/dbraw/zinc/15/13/70/175151370.db2.gz BSSMKEKRBKJJGT-UHFFFAOYSA-N 1 0 218.260 1.734 10 0 BDAERO COc1ccc(OC)c(C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000011630673 175164278 /nfs/dbraw/zinc/16/42/78/175164278.db2.gz VAEKJPRQKONFFX-NSHDSACASA-N 1 0 235.283 1.639 10 0 BDAERO COc1ccc(OC)c(CCOCC[NH3+])c1 ZINC000057953008 175165075 /nfs/dbraw/zinc/16/50/75/175165075.db2.gz GBQBBYCFELSPGP-UHFFFAOYSA-N 1 0 225.288 1.222 10 0 BDAERO COc1ccc(OC)c(Cn2cc[nH+]c2N)c1 ZINC000037635556 175166307 /nfs/dbraw/zinc/16/63/07/175166307.db2.gz PDNZCCBXNCFXDA-UHFFFAOYSA-N 1 0 233.271 1.531 10 0 BDAERO COc1ccc(OC)c([C@@H]([NH3+])Cn2cccn2)c1 ZINC000023071550 175167937 /nfs/dbraw/zinc/16/79/37/175167937.db2.gz BKAFOYDJOIBFKE-LBPRGKRZSA-N 1 0 247.298 1.600 10 0 BDAERO COc1ccc(OC)c([C@H](C)OCC[NH3+])c1 ZINC000071532261 175168935 /nfs/dbraw/zinc/16/89/35/175168935.db2.gz XWXIAYMHHOMFRW-VIFPVBQESA-N 1 0 225.288 1.740 10 0 BDAERO COc1ccc(OC)c([C@H](CC[NH3+])N(C)C)c1 ZINC000019673463 175169145 /nfs/dbraw/zinc/16/91/45/175169145.db2.gz HQOWFAIGJAXWRX-LBPRGKRZSA-N 1 0 238.331 1.655 10 0 BDAERO COc1ccc(OC)c([C@]2(C)C[C@@H]2[NH3+])c1 ZINC000052126467 175169682 /nfs/dbraw/zinc/16/96/82/175169682.db2.gz SNDBIENVFBWYMZ-RYUDHWBXSA-N 1 0 207.273 1.693 10 0 BDAERO COc1ccc(OC/C(F)=C\C[NH3+])cc1 ZINC000084652313 175171411 /nfs/dbraw/zinc/17/14/11/175171411.db2.gz SZNNZQINCFBHDX-RMKNXTFCSA-N 1 0 211.236 1.886 10 0 BDAERO COc1ccc([C@@H](O)[C@@H](C)C[NH3+])cc1Cl ZINC000082348243 175181385 /nfs/dbraw/zinc/18/13/85/175181385.db2.gz XZZNIBSEILQOIM-CPCISQLKSA-N 1 0 229.707 1.977 10 0 BDAERO COc1ccc([C@@H](O)[C@@H](C)[NH3+])c(OC)c1OC ZINC000020216908 175181391 /nfs/dbraw/zinc/18/13/91/175181391.db2.gz OVTDGXPRELYHEH-XCBNKYQSSA-N 1 0 241.287 1.093 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CCCO2)cc1OC ZINC000035598705 175183810 /nfs/dbraw/zinc/18/38/10/175183810.db2.gz KGYPPDWWUVAKEO-ZDUSSCGKSA-N 1 0 237.299 1.755 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CCN2C)cc1 ZINC000020268289 175184029 /nfs/dbraw/zinc/18/40/29/175184029.db2.gz OAUORYZPTXUCIA-LBPRGKRZSA-N 1 0 206.289 1.271 10 0 BDAERO COc1ccc([C@H](CO)[NH2+]C(C)C)cc1F ZINC000071533164 175190664 /nfs/dbraw/zinc/19/06/64/175190664.db2.gz MMJSGUXATDIGTA-NSHDSACASA-N 1 0 227.279 1.866 10 0 BDAERO COc1ccc([C@H](C[NH3+])n2nc(C)nc2C)cc1 ZINC000042962415 175190879 /nfs/dbraw/zinc/19/08/79/175190879.db2.gz RTQPXCYPIJQUAX-ZDUSSCGKSA-N 1 0 246.314 1.452 10 0 BDAERO COc1ccc([C@H]([NH3+])CN2CCOC2=O)cc1 ZINC000020262290 175191581 /nfs/dbraw/zinc/19/15/81/175191581.db2.gz OMWHAXRIIGRIMB-LLVKDONJSA-N 1 0 236.271 1.147 10 0 BDAERO COc1ccc([C@H]([NH3+])Cn2ccnc2)c(OC)c1 ZINC000023071172 175191992 /nfs/dbraw/zinc/19/19/92/175191992.db2.gz APRCIMVMFQBQIP-GFCCVEGCSA-N 1 0 247.298 1.600 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@@H]2COCCO2)cc1 ZINC000055298577 175192279 /nfs/dbraw/zinc/19/22/79/175192279.db2.gz ASJNZWNVEQXIEZ-RYUDHWBXSA-N 1 0 223.272 1.110 10 0 BDAERO COc1ccc([C@H](O)CC[NH2+]C2CC2)cc1 ZINC000049818370 175193072 /nfs/dbraw/zinc/19/30/72/175193072.db2.gz MHSSZQVEOKIWOY-CYBMUJFWSA-N 1 0 221.300 1.871 10 0 BDAERO COc1ccc([C@H]([C@@H](C)[NH3+])N(C)C)cc1 ZINC000042960474 175193885 /nfs/dbraw/zinc/19/38/85/175193885.db2.gz LDYNNRVMIGQPSS-SKDRFNHKSA-N 1 0 208.305 1.645 10 0 BDAERO COc1ccc([C@H]2CC[C@@H](C[NH3+])O2)cc1 ZINC000040845501 175195540 /nfs/dbraw/zinc/19/55/40/175195540.db2.gz SUAFTJAVJHXARK-NWDGAFQWSA-N 1 0 207.273 1.874 10 0 in-vivo BDAERO COc1ccc([C@H]2[C@H]([NH3+])CCN2C)cc1F ZINC000076673669 175198800 /nfs/dbraw/zinc/19/88/00/175198800.db2.gz PNDWONSAPRNHSQ-PWSUYJOCSA-N 1 0 224.279 1.538 10 0 BDAERO COc1ccc([C@](C)([NH3+])CCO)cc1OC ZINC000082540090 175199932 /nfs/dbraw/zinc/19/99/32/175199932.db2.gz VWCCKUAPKOBRIU-GFCCVEGCSA-N 1 0 225.288 1.260 10 0 BDAERO COc1ccc([C@]2(C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000054588045 175200193 /nfs/dbraw/zinc/20/01/93/175200193.db2.gz MKASIMAUQIDLMH-NOZJJQNGSA-N 1 0 221.300 1.940 10 0 BDAERO COc1ccc2[nH]cc([C@@H](O)[C@H]3CCC[NH2+]3)c2c1 ZINC000041297535 175202685 /nfs/dbraw/zinc/20/26/85/175202685.db2.gz ADOBIKSMUNLRNC-ZIAGYGMSSA-N 1 0 246.310 1.962 10 0 BDAERO COc1ccc2[nH]cc([C@@H](C[NH3+])CO)c2c1 ZINC000006018835 175203214 /nfs/dbraw/zinc/20/32/14/175203214.db2.gz PUDLMPAPHGYQFC-QMMMGPOBSA-N 1 0 220.272 1.211 10 0 BDAERO COc1ccc2c(c1)CCC[C@]2(O)C[NH3+] ZINC000035278979 175209108 /nfs/dbraw/zinc/20/91/08/175209108.db2.gz XCTAJOGFZVNQAY-LBPRGKRZSA-N 1 0 207.273 1.178 10 0 BDAERO COc1ccc2c(c1)CC[C@H](OC)[C@H]2[NH3+] ZINC000019398927 175209524 /nfs/dbraw/zinc/20/95/24/175209524.db2.gz HFMPATQDLPRZHD-RYUDHWBXSA-N 1 0 207.273 1.656 10 0 BDAERO COc1ccc2c(c1)CC[C@@H]([C@@](C)([NH3+])CO)C2 ZINC000082048707 175209724 /nfs/dbraw/zinc/20/97/24/175209724.db2.gz YCVMPDYGRXBACL-OCCSQVGLSA-N 1 0 235.327 1.510 10 0 BDAERO COc1ccc2c(c1)C[C@H](C1=[NH+]CCN1)O2 ZINC000027647259 175210574 /nfs/dbraw/zinc/21/05/74/175210574.db2.gz PLZFIFFVIZCKHL-LLVKDONJSA-N 1 0 218.256 1.000 10 0 BDAERO COc1ccc2c(c1)[C@H]1C[NH2+]C[C@@H](C2)C1 ZINC000028469847 175216905 /nfs/dbraw/zinc/21/69/05/175216905.db2.gz GZIFREAWIVCPFE-GXSJLCMTSA-N 1 0 203.285 1.944 10 0 BDAERO COc1ccc2[nH]c(C3C[NH2+]C3)nc2c1 ZINC000090397473 175227445 /nfs/dbraw/zinc/22/74/45/175227445.db2.gz ONIWFFVRFLTHTA-UHFFFAOYSA-N 1 0 203.245 1.258 10 0 BDAERO COc1ccc2[nH]c([C@@H]3CCC[NH2+]3)nc2c1 ZINC000062152762 175228772 /nfs/dbraw/zinc/22/87/72/175228772.db2.gz ALIYWMGXNBFLNW-JTQLQIEISA-N 1 0 217.272 1.996 10 0 BDAERO COc1cccc(-c2ccc(NN)[nH+]n2)c1 ZINC000033648060 175234400 /nfs/dbraw/zinc/23/44/00/175234400.db2.gz YZIANFJGYGYGGE-UHFFFAOYSA-N 1 0 216.244 1.438 10 0 BDAERO COc1cccc(-c2[nH+]c(C)n(C)c2N)c1 ZINC000104912103 175236210 /nfs/dbraw/zinc/23/62/10/175236210.db2.gz UGZHRYCIHOBMJT-UHFFFAOYSA-N 1 0 217.272 1.986 10 0 BDAERO COc1cccc(CC[NH2+][C@H](C)CO)c1 ZINC000098123920 175252755 /nfs/dbraw/zinc/25/27/55/175252755.db2.gz SFKYXFQVVLMFGO-SNVBAGLBSA-N 1 0 209.289 1.208 10 0 BDAERO COc1cccc(CC[C@@H](O)CC[NH3+])c1 ZINC000041218545 175253757 /nfs/dbraw/zinc/25/37/57/175253757.db2.gz CSEXCSQFETUMMG-LLVKDONJSA-N 1 0 209.289 1.338 10 0 BDAERO COc1cccc(C[NH2+]CCc2c[nH]cn2)n1 ZINC000083358786 175264794 /nfs/dbraw/zinc/26/47/94/175264794.db2.gz OTSJUYRXGYNAJC-UHFFFAOYSA-N 1 0 232.287 1.146 10 0 BDAERO COc1cccc(Cl)c1CN(C)C1C[NH2+]C1 ZINC000162035882 175273324 /nfs/dbraw/zinc/27/33/24/175273324.db2.gz MEJDVRWPXPRZQX-UHFFFAOYSA-N 1 0 240.734 1.752 10 0 BDAERO COc1cccc(N2CCC[C@H]2C[NH3+])c1 ZINC000020439485 175275135 /nfs/dbraw/zinc/27/51/35/175275135.db2.gz OALLCHYCKZLRCB-NSHDSACASA-N 1 0 206.289 1.623 10 0 BDAERO COc1cccc(NC(=O)C[C@H](C)C[NH3+])c1 ZINC000076611153 175276167 /nfs/dbraw/zinc/27/61/67/175276167.db2.gz RRIYPIJDPLQCCQ-VIFPVBQESA-N 1 0 222.288 1.619 10 0 BDAERO COc1cccc(NC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000104120776 175279478 /nfs/dbraw/zinc/27/94/78/175279478.db2.gz OVWJVFYDYPFIPL-NSHDSACASA-N 1 0 235.331 1.986 10 0 BDAERO COc1cccc(OC)c1OCCC[NH3+] ZINC000011569619 175281911 /nfs/dbraw/zinc/28/19/11/175281911.db2.gz ZPQXWUOJHSFONL-UHFFFAOYSA-N 1 0 211.261 1.431 10 0 BDAERO COc1cccc(OC)c1[C@](C)(O)CC[NH3+] ZINC000082360714 175282869 /nfs/dbraw/zinc/28/28/69/175282869.db2.gz RHHHQMZRHIYYJG-GFCCVEGCSA-N 1 0 225.288 1.260 10 0 BDAERO COc1cccc([C@@H]([NH3+])Cn2ccccc2=O)c1 ZINC000023066142 175288503 /nfs/dbraw/zinc/28/85/03/175288503.db2.gz PUACXFCRBBPDQX-ZDUSSCGKSA-N 1 0 244.294 1.557 10 0 BDAERO COc1cccc([C@@H](O)[C@H]([NH3+])C(C)C)c1 ZINC000071511668 175290206 /nfs/dbraw/zinc/29/02/06/175290206.db2.gz AVRYTPLLXQKMQF-VXGBXAGGSA-N 1 0 209.289 1.712 10 0 BDAERO COc1cccc([C@H](C[NH3+])CC(=O)NC2CC2)c1 ZINC000057537082 175294013 /nfs/dbraw/zinc/29/40/13/175294013.db2.gz SYTRDFSNQMNCLZ-NSHDSACASA-N 1 0 248.326 1.406 10 0 BDAERO COc1cccc([C@H]([NH3+])c2cnn(C)c2)c1OC ZINC000041656171 175294937 /nfs/dbraw/zinc/29/49/37/175294937.db2.gz VDQUOAAVXNVPTG-GFCCVEGCSA-N 1 0 247.298 1.485 10 0 BDAERO COc1cccc2c([C@H](O)C[NH3+])c[nH]c21 ZINC000071487880 175300103 /nfs/dbraw/zinc/30/01/03/175300103.db2.gz MKEGVGQWAJTPCT-SECBINFHSA-N 1 0 206.245 1.169 10 0 BDAERO COc1ccccc1CN1C[C@@H](C[NH3+])CC1=O ZINC000019669338 175327530 /nfs/dbraw/zinc/32/75/30/175327530.db2.gz LYLRZJYCNBGFDV-SNVBAGLBSA-N 1 0 234.299 1.002 10 0 BDAERO COc1ccccc1C[C@@](C)([NH3+])c1ncon1 ZINC000037735041 175332478 /nfs/dbraw/zinc/33/24/78/175332478.db2.gz PPQMQZKKVNIABG-GFCCVEGCSA-N 1 0 233.271 1.495 10 0 BDAERO COc1ccccc1C[C@H]1CSC[C@@H]1[NH3+] ZINC000098095198 175333757 /nfs/dbraw/zinc/33/37/57/175333757.db2.gz FNHDYOUXOKQVAB-QWRGUYRKSA-N 1 0 223.341 1.928 10 0 BDAERO COc1ccccc1[C@@H](C)[NH2+]CCNC(C)=O ZINC000020148812 175344780 /nfs/dbraw/zinc/34/47/80/175344780.db2.gz BUTKGQIHFHQDRO-SNVBAGLBSA-N 1 0 236.315 1.482 10 0 BDAERO COc1ccccc1[C@@H](O)C1CC[NH2+]CC1 ZINC000019674940 175347765 /nfs/dbraw/zinc/34/77/65/175347765.db2.gz GVEWAUPLTLZANP-ZDUSSCGKSA-N 1 0 221.300 1.728 10 0 BDAERO COc1ccccc1[C@H](C[NH3+])CC(=O)NC1CC1 ZINC000057537077 175353362 /nfs/dbraw/zinc/35/33/62/175353362.db2.gz XYDFSIODYMCYTD-JTQLQIEISA-N 1 0 248.326 1.406 10 0 BDAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)CCO ZINC000043097749 175354307 /nfs/dbraw/zinc/35/43/07/175354307.db2.gz LROPVRZTWDFDTL-MFKMUULPSA-N 1 0 238.331 1.008 10 0 BDAERO COc1ccccc1[C@H](O)[C@@H]1CCCC[NH2+]1 ZINC000041237225 175354351 /nfs/dbraw/zinc/35/43/51/175354351.db2.gz QDKOCJAVJNKBJZ-AAEUAGOBSA-N 1 0 221.300 1.871 10 0 BDAERO COc1ccccc1[S@@](=O)C[C@H]1CC[NH2+]C1 ZINC000083319640 175356059 /nfs/dbraw/zinc/35/60/59/175356059.db2.gz WZWKTGFIKAAJEF-MGPLVRAMSA-N 1 0 239.340 1.412 10 0 BDAERO COc1ccccc1[S@](=O)C1CC[NH2+]CC1 ZINC000083319607 175356273 /nfs/dbraw/zinc/35/62/73/175356273.db2.gz GCFQOFTWEBJMEX-INIZCTEOSA-N 1 0 239.340 1.555 10 0 BDAERO COc1ccnc(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000292107844 175360857 /nfs/dbraw/zinc/36/08/57/175360857.db2.gz GRSYSDKORZIKRZ-BXKDBHETSA-N 1 0 222.288 1.357 10 0 BDAERO CS(=O)(=O)c1ccccc1C1CC[NH2+]CC1 ZINC000082328371 175439531 /nfs/dbraw/zinc/43/95/31/175439531.db2.gz HZKRLDGLJAPZLK-UHFFFAOYSA-N 1 0 239.340 1.557 10 0 BDAERO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCCNC1=O ZINC000309503868 175658154 /nfs/dbraw/zinc/65/81/54/175658154.db2.gz BNGIXMVQEYKKNK-CMPLNLGQSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H](C[NH3+])C(=O)NCc1cc2c(s1)CCC2 ZINC000054343439 175705318 /nfs/dbraw/zinc/70/53/18/175705318.db2.gz CIMQGBKUAPPRNK-QMMMGPOBSA-N 1 0 238.356 1.448 10 0 BDAERO C[C@@H](C[NH3+])c1nc2c(ccc(F)c2F)[nH]1 ZINC000076015091 175713656 /nfs/dbraw/zinc/71/36/56/175713656.db2.gz PPNGHCPCAXMQDV-YFKPBYRVSA-N 1 0 211.215 1.903 10 0 BDAERO C[C@@H](CO)[NH2+]CC1(O)CCCCCC1 ZINC000037888693 175756326 /nfs/dbraw/zinc/75/63/26/175756326.db2.gz LIWBRRGCVRNLMS-JTQLQIEISA-N 1 0 201.310 1.042 10 0 BDAERO C[C@@H](CO)[NH2+][C@@H]1CCOc2ccccc21 ZINC000035602520 175758340 /nfs/dbraw/zinc/75/83/40/175758340.db2.gz HVHKQBATYZTMNR-GXSJLCMTSA-N 1 0 207.273 1.481 10 0 BDAERO C[C@@H](N(C)c1ccc(C[NH3+])nn1)C(C)(C)C ZINC000051397264 175793236 /nfs/dbraw/zinc/79/32/36/175793236.db2.gz ZDZZWVDDGUZUNH-SECBINFHSA-N 1 0 222.336 1.806 10 0 BDAERO C[C@@H]([NH3+])CCCCN1C(=O)c2ccccc2C1=O ZINC000045604065 175805219 /nfs/dbraw/zinc/80/52/19/175805219.db2.gz CWYAFXAOBONYJU-SNVBAGLBSA-N 1 0 246.310 1.800 10 0 BDAERO C[C@@H]([NH3+])Cc1c(-n2cccn2)nc2ccccn21 ZINC000104262154 175806809 /nfs/dbraw/zinc/80/68/09/175806809.db2.gz JZJCVUXFSKOSEK-SNVBAGLBSA-N 1 0 241.298 1.410 10 0 BDAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccco1 ZINC000048756139 175833227 /nfs/dbraw/zinc/83/32/27/175833227.db2.gz GLONBKBBPNCKQC-NXEZZACHSA-N 1 0 222.288 1.599 10 0 BDAERO C[C@@H]([NH2+]Cc1cnns1)[C@@H]1CCCO1 ZINC000336683653 175906322 /nfs/dbraw/zinc/90/63/22/175906322.db2.gz JGUUCTUBSXTYPN-APPZFPTMSA-N 1 0 213.306 1.195 10 0 BDAERO C[C@@H](Nc1ccncn1)[C@@H]1CCC[NH2+]C1 ZINC000050164207 175935866 /nfs/dbraw/zinc/93/58/66/175935866.db2.gz NONZHWULVVQFLD-NXEZZACHSA-N 1 0 206.293 1.277 10 0 BDAERO C[C@@H](O)c1ccccc1N[C@H]1CCC[NH2+]C1 ZINC000043327631 176000005 /nfs/dbraw/zinc/00/00/05/176000005.db2.gz XLECCKJIXUVMPJ-MNOVXSKESA-N 1 0 220.316 1.904 10 0 BDAERO C[C@@H](OC1CC[NH2+]CC1)c1cnccn1 ZINC000095068453 176002383 /nfs/dbraw/zinc/00/23/83/176002383.db2.gz ATKLQHKOHVWFGE-SECBINFHSA-N 1 0 207.277 1.306 10 0 BDAERO C[C@@H](OC[C@@H]1CCC[NH2+]1)c1cnccn1 ZINC000095068497 176002826 /nfs/dbraw/zinc/00/28/26/176002826.db2.gz IPJSVNUXBPDTKM-ZJUUUORDSA-N 1 0 207.277 1.306 10 0 BDAERO C[C@@H]([NH3+])c1ccc(F)cc1O[C@H](C)C(N)=O ZINC000062745725 176004371 /nfs/dbraw/zinc/00/43/71/176004371.db2.gz UMCICHISNLFWNQ-RNFRBKRXSA-N 1 0 226.251 1.098 10 0 BDAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000042403778 176018279 /nfs/dbraw/zinc/01/82/79/176018279.db2.gz BYYXTQSNFGLPBE-GXFFZTMASA-N 1 0 247.342 1.670 10 0 BDAERO C[C@@H](c1nc2cc(O)ccc2[nH]1)N1CC[NH2+]CC1 ZINC000074321906 176039016 /nfs/dbraw/zinc/03/90/16/176039016.db2.gz IGLCMLSPBJNMBJ-VIFPVBQESA-N 1 0 246.314 1.235 10 0 BDAERO C[C@@H](c1nccs1)N(C)[C@H]1CC[NH2+]C1 ZINC000095068192 176039680 /nfs/dbraw/zinc/03/96/80/176039680.db2.gz RQFOXRXVMIGNKX-IUCAKERBSA-N 1 0 211.334 1.498 10 0 BDAERO C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000091972741 176092973 /nfs/dbraw/zinc/09/29/73/176092973.db2.gz GBDUYWAOBAPGRE-IJLUTSLNSA-N 1 0 239.363 1.555 10 0 BDAERO C[C@@H]1CCC[N@@H+]1CCCn1cc(N)ccc1=O ZINC000037909963 176108312 /nfs/dbraw/zinc/10/83/12/176108312.db2.gz XTVLNUBWUFFCFG-LLVKDONJSA-N 1 0 235.331 1.305 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N(C)CC(C)(C)C ZINC000051813056 176112320 /nfs/dbraw/zinc/11/23/20/176112320.db2.gz OYYBVXQWLRBSOE-GHMZBOCLSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)NCCc2ccccc2)[NH2+]1 ZINC000019489228 176112653 /nfs/dbraw/zinc/11/26/53/176112653.db2.gz ZSMNEQFSTJZPHA-OCCSQVGLSA-N 1 0 246.354 1.876 10 0 BDAERO C[C@@H]1CCC[C@@H](CN2C(=O)CCCCC2=O)[NH2+]1 ZINC000051574811 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[NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000089449624 487816318 /nfs/dbraw/zinc/81/63/18/487816318.db2.gz BJFLUSUUIINFOA-QWHCGFSZSA-N 1 0 244.338 1.951 10 0 BDAERO C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089449681 487816258 /nfs/dbraw/zinc/81/62/58/487816258.db2.gz BEXAKYKNDKQMSW-YVECIDJPSA-N 1 0 238.375 1.866 10 0 BDAERO Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000089450014 487817011 /nfs/dbraw/zinc/81/70/11/487817011.db2.gz ROYXYRBXGHFZHS-WDEREUQCSA-N 1 0 233.315 1.704 10 0 BDAERO Cc1n[nH]c(C)c1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450780 487817840 /nfs/dbraw/zinc/81/78/40/487817840.db2.gz WJWWFZCYYKYSCT-UWVGGRQHSA-N 1 0 236.319 1.340 10 0 BDAERO CN(Cc1cccnc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450811 487817900 /nfs/dbraw/zinc/81/79/00/487817900.db2.gz LECDUWXSJIFFIT-STQMWFEESA-N 1 0 247.342 1.415 10 0 BDAERO Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000089462003 487823867 /nfs/dbraw/zinc/82/38/67/487823867.db2.gz MFIFSACYIWQEIK-CHWSQXEVSA-N 1 0 247.342 1.381 10 0 BDAERO Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000089461468 487823694 /nfs/dbraw/zinc/82/36/94/487823694.db2.gz MSZCKHOMGCAXSU-WCQYABFASA-N 1 0 247.342 1.381 10 0 BDAERO CC(C)c1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000676234705 487825440 /nfs/dbraw/zinc/82/54/40/487825440.db2.gz KGVBETNAQIYDIF-CYBMUJFWSA-N 1 0 232.327 1.788 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)cn1 ZINC000089482437 487826000 /nfs/dbraw/zinc/82/60/00/487826000.db2.gz UJNMWYUCXCAKDL-WCBMZHEXSA-N 1 0 237.278 1.534 10 0 BDAERO Cc1nn(C[NH+]2CCCCC2)c(C)c1N ZINC000062701592 526282331 /nfs/dbraw/zinc/28/23/31/526282331.db2.gz KXXWSLFBVAJIOS-UHFFFAOYSA-N 1 0 208.309 1.526 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[C@H]1CCCO1 ZINC000252651532 487828152 /nfs/dbraw/zinc/82/81/52/487828152.db2.gz QOACBNMXZOXRSV-TUAOUCFPSA-N 1 0 240.347 1.060 10 0 BDAERO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252690746 487828761 /nfs/dbraw/zinc/82/87/61/487828761.db2.gz VXRRHCZTCSOYJV-JGPRNRPPSA-N 1 0 224.348 1.666 10 0 BDAERO CCCC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401622370 528877742 /nfs/dbraw/zinc/87/77/42/528877742.db2.gz SBPUCFOOLMOYQZ-SDDRHHMPSA-N 1 0 243.347 1.421 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000645944778 487854052 /nfs/dbraw/zinc/85/40/52/487854052.db2.gz AVVJUCAAEWCHHI-VXGBXAGGSA-N 1 0 215.337 1.647 10 0 BDAERO CC[C@@H]1C[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227428028 487879282 /nfs/dbraw/zinc/87/92/82/487879282.db2.gz AMPNKBLQHWGUSX-GWOFURMSSA-N 1 0 210.321 1.276 10 0 BDAERO CC[C@@](C)(O)C[N@H+](C)CCOC(C)(C)C ZINC000682029782 487884048 /nfs/dbraw/zinc/88/40/48/487884048.db2.gz ZALQRPCCEOSVHC-GFCCVEGCSA-N 1 0 217.353 1.894 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC(C1CC1)C1CC1 ZINC000089459474 487890815 /nfs/dbraw/zinc/89/08/15/487890815.db2.gz DNGOEOHVFDKAPR-NWDGAFQWSA-N 1 0 236.359 1.666 10 0 BDAERO CC(C)[C@@H]1C[NH2+]CCN1c1ccccn1 ZINC000083344505 487904928 /nfs/dbraw/zinc/90/49/28/487904928.db2.gz RUXLKZRVLSZRTB-NSHDSACASA-N 1 0 205.305 1.516 10 0 BDAERO Cc1ccnc(N2CC[NH2+]C[C@@H]2C(C)C)c1 ZINC000083350129 487906163 /nfs/dbraw/zinc/90/61/63/487906163.db2.gz COHHRLKOPLJYSO-GFCCVEGCSA-N 1 0 219.332 1.824 10 0 BDAERO CCC[C@@H](C)NC(=O)NC[C@@H](C)[NH2+]C ZINC000668540733 487909115 /nfs/dbraw/zinc/90/91/15/487909115.db2.gz CQAJXUUPGZEBBB-RKDXNWHRSA-N 1 0 201.314 1.082 10 0 BDAERO CCC[C@H](C)NC(=O)N1CCC(C[NH2+]C)CC1 ZINC000668540951 487911498 /nfs/dbraw/zinc/91/14/98/487911498.db2.gz GPDUPQJQOXHHFU-NSHDSACASA-N 1 0 241.379 1.816 10 0 BDAERO CCC[C@H](C)NC(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000668541915 487913321 /nfs/dbraw/zinc/91/33/21/487913321.db2.gz WWAJMBXLOMEGQS-QWRGUYRKSA-N 1 0 227.352 1.426 10 0 BDAERO CCC[C@@H](C)NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000668541988 487913765 /nfs/dbraw/zinc/91/37/65/487913765.db2.gz YTLHNJWXQPAWBI-VXGBXAGGSA-N 1 0 241.379 1.959 10 0 BDAERO CCC[C@H](C)NC(=O)N1CCC[C@H]1C[NH3+] ZINC000668542006 487914677 /nfs/dbraw/zinc/91/46/77/487914677.db2.gz ZPHNYZPZYIXIIA-UWVGGRQHSA-N 1 0 213.325 1.308 10 0 BDAERO CC(C)O[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000404555719 487927492 /nfs/dbraw/zinc/92/74/92/487927492.db2.gz OKXVKBXFUQXCPV-VXGBXAGGSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1OCC[C@H]1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000235300814 487940641 /nfs/dbraw/zinc/94/06/41/487940641.db2.gz GNYIVHUFNVLBGQ-RWMBFGLXSA-N 1 0 224.348 1.191 10 0 BDAERO C[C@@H]1CN(C(=O)Nc2ccccc2)C[C@@H]1[NH3+] ZINC000235325231 487942252 /nfs/dbraw/zinc/94/22/52/487942252.db2.gz QPQZWXGBSWEDQP-KOLCDFICSA-N 1 0 219.288 1.498 10 0 BDAERO COc1ccnc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000257653644 322872404 /nfs/dbraw/zinc/87/24/04/322872404.db2.gz ODRFGUKYYIVEOD-IUCAKERBSA-N 1 0 222.292 1.025 10 0 BDAERO Cc1nsc(N(C)C2CC[NH2+]CC2)n1 ZINC000107214527 322976653 /nfs/dbraw/zinc/97/66/53/322976653.db2.gz JIELPFQPRKBYTM-UHFFFAOYSA-N 1 0 212.322 1.035 10 0 BDAERO CC(C)n1ccnc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000570931672 323074726 /nfs/dbraw/zinc/07/47/26/323074726.db2.gz ZLUCGUOKWYNTMD-LLVKDONJSA-N 1 0 222.336 1.258 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)[C@H]1CC1(C)C ZINC000397573961 323080514 /nfs/dbraw/zinc/08/05/14/323080514.db2.gz FOIPSSPLYJQLDF-GWOFURMSSA-N 1 0 213.321 1.160 10 0 BDAERO Cc1ccc(C[NH2+]CC(C)(C)O)nc1C ZINC000314065693 323080562 /nfs/dbraw/zinc/08/05/62/323080562.db2.gz SOJWGIFVJGVQNT-UHFFFAOYSA-N 1 0 208.305 1.559 10 0 BDAERO CCc1nc(CC[NH2+]C[C@@H](C)COC)no1 ZINC000309416695 323082108 /nfs/dbraw/zinc/08/21/08/323082108.db2.gz CTVXNAHHLYOBAP-SECBINFHSA-N 1 0 227.308 1.047 10 0 BDAERO CCC(C)(C)NC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000396015910 323097129 /nfs/dbraw/zinc/09/71/29/323097129.db2.gz QTSQAVGTNNFERI-VHSXEESVSA-N 1 0 227.352 1.602 10 0 BDAERO OC1(C[N@@H+]2CC[C@H](N3CCCC3)C2)CCC1 ZINC000531815714 323114416 /nfs/dbraw/zinc/11/44/16/323114416.db2.gz IMMSJOTZOBCMKG-LBPRGKRZSA-N 1 0 224.348 1.072 10 0 BDAERO CC(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247025706 323131638 /nfs/dbraw/zinc/13/16/38/323131638.db2.gz HNWZSGLCTCJJKS-WDEREUQCSA-N 1 0 212.337 1.487 10 0 BDAERO CCC[C@@H](C(=O)NC[C@@H](CC)CCO)[NH+](C)C ZINC000153737522 323177086 /nfs/dbraw/zinc/17/70/86/323177086.db2.gz RKJZGPONTZAMLI-RYUDHWBXSA-N 1 0 244.379 1.242 10 0 BDAERO CCC[C@@H](C(=O)N1CCS[C@H](C)C1)[NH+](C)C ZINC000152393053 323180501 /nfs/dbraw/zinc/18/05/01/323180501.db2.gz POLDDPZYTHWUSY-MNOVXSKESA-N 1 0 244.404 1.681 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CCC2)C1 ZINC000052548119 323193454 /nfs/dbraw/zinc/19/34/54/323193454.db2.gz JHWDYMHEVFSEFT-GFCCVEGCSA-N 1 0 239.363 1.570 10 0 BDAERO C[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)C(C)(C)C ZINC000399110903 323197022 /nfs/dbraw/zinc/19/70/22/323197022.db2.gz BSZHDOZIRGATAS-OPRDCNLKSA-N 1 0 212.337 1.617 10 0 BDAERO CC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccnn1C ZINC000521401871 323201466 /nfs/dbraw/zinc/20/14/66/323201466.db2.gz QPVYKOWOJOYLCH-NWDGAFQWSA-N 1 0 223.320 1.328 10 0 BDAERO CC[C@H](C[N@@H+]1C[C@H](O)CC[C@@H]1C)OC ZINC000399335841 323204218 /nfs/dbraw/zinc/20/42/18/323204218.db2.gz PWDSFFYNXQGGFC-HBNTYKKESA-N 1 0 201.310 1.257 10 0 BDAERO CC1CC(C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000309386396 323365081 /nfs/dbraw/zinc/36/50/81/323365081.db2.gz FBYNLAODEHTKHU-RTYFJBAXSA-N 1 0 210.321 1.230 10 0 BDAERO Cc1csc([C@H]2CCCN2C(=O)CC[NH3+])n1 ZINC000083888616 487959917 /nfs/dbraw/zinc/95/99/17/487959917.db2.gz WAKHGDZSYGRWOR-SECBINFHSA-N 1 0 239.344 1.464 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@@H]1c1nc(C)cs1 ZINC000083888622 487959648 /nfs/dbraw/zinc/95/96/48/487959648.db2.gz ZGUNNWADURMEKA-SECBINFHSA-N 1 0 239.344 1.334 10 0 BDAERO CC[C@H](C)N1C(=O)c2ccccc2[C@@H]1C[NH3+] ZINC000536951524 323956516 /nfs/dbraw/zinc/95/65/16/323956516.db2.gz SEYLYKTUVASVHH-CABZTGNLSA-N 1 0 218.300 1.941 10 0 BDAERO COC(=O)[C@H](c1ccccc1)C(C)(C)[NH3+] ZINC000536952582 323958731 /nfs/dbraw/zinc/95/87/31/323958731.db2.gz DZVAMQOLKQTCQX-JTQLQIEISA-N 1 0 207.273 1.681 10 0 BDAERO Cn1nccc1[C@H](C[NH3+])C1(CO)CCCC1 ZINC000536952771 323959499 /nfs/dbraw/zinc/95/94/99/323959499.db2.gz GFKKOEDHDINEFA-JTQLQIEISA-N 1 0 223.320 1.015 10 0 BDAERO C[C@@H]1C[C@](O)(C[NH2+]Cc2ccccc2)CCO1 ZINC000536956248 323967031 /nfs/dbraw/zinc/96/70/31/323967031.db2.gz XTJZYHQLKPLGLI-OCCSQVGLSA-N 1 0 235.327 1.706 10 0 BDAERO CCN(C)[C@H]1C[NH2+]C[C@H](C(=O)OC(C)(C)C)C1 ZINC000536960709 323974403 /nfs/dbraw/zinc/97/44/03/323974403.db2.gz SYKGRDVEIMSTNI-GHMZBOCLSA-N 1 0 242.363 1.258 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CS1 ZINC000227504055 487962274 /nfs/dbraw/zinc/96/22/74/487962274.db2.gz LRPSOEHPTQAPRL-CHWFTXMASA-N 1 0 215.362 1.774 10 0 BDAERO CCc1nnc(C[NH2+][C@H](COC)C(C)C)n1C ZINC000543455456 325090126 /nfs/dbraw/zinc/09/01/26/325090126.db2.gz SRKURNDFKNUHHW-SNVBAGLBSA-N 1 0 240.351 1.138 10 0 BDAERO COC[C@@H]([NH2+]Cc1nnnn1C(C)C)C(C)C ZINC000544414783 325142400 /nfs/dbraw/zinc/14/24/00/325142400.db2.gz ZTIOEXAQNMNDPV-SNVBAGLBSA-N 1 0 241.339 1.015 10 0 BDAERO CN(C)C1(C[NH2+][C@@H]2CCCC[C@H]2O)CCCC1 ZINC000132916014 325252592 /nfs/dbraw/zinc/25/25/92/325252592.db2.gz XPVUMEYLJPKVCZ-CHWSQXEVSA-N 1 0 240.391 1.754 10 0 BDAERO CC(C)[C@@H]([NH3+])CCN(C)c1ncnc2c1CCC2 ZINC000133633234 325305506 /nfs/dbraw/zinc/30/55/06/325305506.db2.gz RWONHEAWFLOCFD-LBPRGKRZSA-N 1 0 248.374 1.775 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000076054994 325327556 /nfs/dbraw/zinc/32/75/56/325327556.db2.gz ZHNMPFCFVLCRSK-JOYOIKCWSA-N 1 0 237.347 1.321 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C ZINC000136126912 325442376 /nfs/dbraw/zinc/44/23/76/325442376.db2.gz BDHDYPBSVAEBTG-SNVBAGLBSA-N 1 0 215.341 1.234 10 0 BDAERO C[C@H](c1ccccn1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246346573 325559273 /nfs/dbraw/zinc/55/92/73/325559273.db2.gz LWPSSGYMYLQBSA-OLZOCXBDSA-N 1 0 249.358 1.405 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000249114121 325637733 /nfs/dbraw/zinc/63/77/33/325637733.db2.gz RPKLVHNTJOGERS-MROQNXINSA-N 1 0 227.348 1.552 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCCO[C@@H]1CCOC1 ZINC000564850766 325817043 /nfs/dbraw/zinc/81/70/43/325817043.db2.gz YVVHJBWTICMABP-NEPJUHHUSA-N 1 0 245.363 1.179 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000309604571 326162148 /nfs/dbraw/zinc/16/21/48/326162148.db2.gz XNOYJWXXZJHOMZ-NWDGAFQWSA-N 1 0 216.284 1.638 10 0 BDAERO CC(C)[NH2+]CCCNc1ccc(C#N)nc1 ZINC000568235850 326331346 /nfs/dbraw/zinc/33/13/46/326331346.db2.gz FEBLRFHGXFIYDX-UHFFFAOYSA-N 1 0 218.304 1.753 10 0 BDAERO CC1CC(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1 ZINC000569095223 326389700 /nfs/dbraw/zinc/38/97/00/326389700.db2.gz MRUDKUMVXKVWNB-SEIUWDOFSA-N 1 0 224.348 1.535 10 0 BDAERO Cc1[nH]c2ccccc2c1C(=O)NCC[C@@H](C)[NH3+] ZINC000569112751 326390869 /nfs/dbraw/zinc/39/08/69/326390869.db2.gz RGKFJUSICXVSCA-SECBINFHSA-N 1 0 245.326 1.943 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCCC1CC1 ZINC000158820359 487977817 /nfs/dbraw/zinc/97/78/17/487977817.db2.gz YYPZRAXKIGSOFI-NWDGAFQWSA-N 1 0 224.348 1.668 10 0 BDAERO CC1(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCOCC1 ZINC000229902831 487985907 /nfs/dbraw/zinc/98/59/07/487985907.db2.gz KGKXMSLNCUJAFD-WDEREUQCSA-N 1 0 240.347 1.047 10 0 BDAERO CN1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)CC1(C)C ZINC000310414996 487991075 /nfs/dbraw/zinc/99/10/75/487991075.db2.gz MXVPWLBFOXEOPN-QWHCGFSZSA-N 1 0 240.391 1.564 10 0 BDAERO CC[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@@H]1[NH3+] ZINC000147313436 487999119 /nfs/dbraw/zinc/99/91/19/487999119.db2.gz IOXQRCLCXCPHTC-SFYZADRCSA-N 1 0 238.253 1.525 10 0 BDAERO Cc1cnc(CC[NH2+]CC(C)(C)O)c(C)c1 ZINC000401089923 488006733 /nfs/dbraw/zinc/00/67/33/488006733.db2.gz UVSWFBGKZOQCBS-UHFFFAOYSA-N 1 0 222.332 1.601 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(C2CC2)no1 ZINC000084305475 488042407 /nfs/dbraw/zinc/04/24/07/488042407.db2.gz LUKVCWPUSDLNGB-IUCAKERBSA-N 1 0 207.277 1.789 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccccn1 ZINC000084308659 488043007 /nfs/dbraw/zinc/04/30/07/488043007.db2.gz GQAJNQMHFDSMPN-UWVGGRQHSA-N 1 0 219.288 1.395 10 0 BDAERO CCC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084308775 488043215 /nfs/dbraw/zinc/04/32/15/488043215.db2.gz NCZKIPCPUNQCTQ-HBNTYKKESA-N 1 0 212.337 1.666 10 0 BDAERO CCN(CC(C)C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084309281 488043312 /nfs/dbraw/zinc/04/33/12/488043312.db2.gz UUAJZOMIQYHEDZ-RYUDHWBXSA-N 1 0 226.364 1.866 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC=CCC1 ZINC000084311419 488045148 /nfs/dbraw/zinc/04/51/48/488045148.db2.gz SLKSTZDZBQPLGB-SRVKXCTJSA-N 1 0 222.332 1.586 10 0 BDAERO CC1(C)CCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000084310832 488045190 /nfs/dbraw/zinc/04/51/90/488045190.db2.gz GZUFRVFLOAEVRU-QWRGUYRKSA-N 1 0 224.348 1.762 10 0 BDAERO CC1(C)CCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084310825 488044960 /nfs/dbraw/zinc/04/49/60/488044960.db2.gz GZUFRVFLOAEVRU-WDEREUQCSA-N 1 0 224.348 1.762 10 0 BDAERO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1cccs1 ZINC000084381995 488048128 /nfs/dbraw/zinc/04/81/28/488048128.db2.gz CVNDCPXYHPVSOC-NXEZZACHSA-N 1 0 238.356 1.925 10 0 BDAERO [NH3+]C[C@H](NC(=O)C[C@H]1C=CCC1)C(F)(F)F ZINC000401703011 488049254 /nfs/dbraw/zinc/04/92/54/488049254.db2.gz BFQATGLPWFHRIQ-YUMQZZPRSA-N 1 0 236.237 1.349 10 0 BDAERO Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1O ZINC000091496569 488054786 /nfs/dbraw/zinc/05/47/86/488054786.db2.gz GOXIRKZJUHWPJY-PWSUYJOCSA-N 1 0 248.326 1.571 10 0 BDAERO Cc1nc(CNC(=O)C[C@H]([NH3+])C(C)C)cs1 ZINC000128996028 488062379 /nfs/dbraw/zinc/06/23/79/488062379.db2.gz VAPFTOSSFLLHGA-JTQLQIEISA-N 1 0 241.360 1.441 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000226285227 488083838 /nfs/dbraw/zinc/08/38/38/488083838.db2.gz OUZHALQKLHLAMW-YNEHKIRRSA-N 1 0 224.348 1.070 10 0 BDAERO Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000092329764 488087568 /nfs/dbraw/zinc/08/75/68/488087568.db2.gz AHSSVFGRTZJELF-XVKPBYJWSA-N 1 0 237.303 1.078 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCCCO1 ZINC000136439651 488102631 /nfs/dbraw/zinc/10/26/31/488102631.db2.gz DZTNZNSITWMCJD-NWDGAFQWSA-N 1 0 242.363 1.387 10 0 BDAERO CCC1(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCOCC1 ZINC000389627085 488103131 /nfs/dbraw/zinc/10/31/31/488103131.db2.gz STFGJXDTEWRMFN-WDEREUQCSA-N 1 0 240.347 1.189 10 0 BDAERO CCC1(NC(=O)C[C@H]([NH3+])C(C)C)CCOCC1 ZINC000389627078 488103174 /nfs/dbraw/zinc/10/31/74/488103174.db2.gz STEGOAVDTKUFCA-NSHDSACASA-N 1 0 242.363 1.435 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000310548243 488129227 /nfs/dbraw/zinc/12/92/27/488129227.db2.gz VQXSCWUPWWRFLQ-MELADBBJSA-N 1 0 241.375 1.774 10 0 BDAERO CC[C@H]([NH2+]CC1(O)CCOCC1)[C@H]1C[C@H]1C ZINC000321175400 488130942 /nfs/dbraw/zinc/13/09/42/488130942.db2.gz YXBJGUFZHGBCQM-WOPDTQHZSA-N 1 0 227.348 1.552 10 0 BDAERO NC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403684681 488132254 /nfs/dbraw/zinc/13/22/54/488132254.db2.gz XBIZNQSMRCBCLJ-NDBYEHHHSA-N 1 0 208.349 1.846 10 0 BDAERO Cc1nnc(N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000232285954 487542058 /nfs/dbraw/zinc/54/20/58/487542058.db2.gz VCKXXBIYIWWDTQ-SFYZADRCSA-N 1 0 212.322 1.528 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000168855578 487547096 /nfs/dbraw/zinc/54/70/96/487547096.db2.gz XGCQYKUZICGOSI-QWRGUYRKSA-N 1 0 208.305 1.292 10 0 BDAERO CCc1nn(C)cc1CN1CCCC[C@H]1C[NH3+] ZINC000168859579 487547961 /nfs/dbraw/zinc/54/79/61/487547961.db2.gz ZPHYTFKLDCVTKX-LBPRGKRZSA-N 1 0 236.363 1.296 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000251543387 487533546 /nfs/dbraw/zinc/53/35/46/487533546.db2.gz BPDCORCTBYJPNU-GMTAPVOTSA-N 1 0 244.404 1.712 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)CC2([NH3+])CCC2)o1 ZINC000231742807 487472273 /nfs/dbraw/zinc/47/22/73/487472273.db2.gz CCRPGBFOSUIHRD-VIFPVBQESA-N 1 0 237.303 1.432 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)o1 ZINC000231744343 487474029 /nfs/dbraw/zinc/47/40/29/487474029.db2.gz VXJGNKZKWVPQFF-NXEZZACHSA-N 1 0 239.319 1.534 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1O ZINC000093655121 487482510 /nfs/dbraw/zinc/48/25/10/487482510.db2.gz QXQRQCFPZJEMAE-VHSXEESVSA-N 1 0 234.299 1.767 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000086246999 487492265 /nfs/dbraw/zinc/49/22/65/487492265.db2.gz WHOHXQAGQWULRV-CMPLNLGQSA-N 1 0 223.320 1.496 10 0 BDAERO OCCC[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000381299839 487504255 /nfs/dbraw/zinc/50/42/55/487504255.db2.gz HVGLZHQBGSVKAX-YPMHNXCESA-N 1 0 227.348 1.384 10 0 BDAERO c1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc1 ZINC000008602430 487504615 /nfs/dbraw/zinc/50/46/15/487504615.db2.gz LGAFOJWLXLMHLW-ZDUSSCGKSA-N 1 0 217.316 1.662 10 0 BDAERO OCCC[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000381299838 487504644 /nfs/dbraw/zinc/50/46/44/487504644.db2.gz HVGLZHQBGSVKAX-WCQYABFASA-N 1 0 227.348 1.384 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cccc(C)c1O ZINC000086555921 487518870 /nfs/dbraw/zinc/51/88/70/487518870.db2.gz YXTVNSULAVBPDP-MRVPVSSYSA-N 1 0 208.261 1.247 10 0 BDAERO CC1(C)C[C@]1(C)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000659379444 487519415 /nfs/dbraw/zinc/51/94/15/487519415.db2.gz HREAJVLJTWDAKU-SBMIAAHKSA-N 1 0 210.321 1.419 10 0 BDAERO Cc1cc(C[NH2+]C2CC(CO)C2)cc(C)c1O ZINC000668780499 487527284 /nfs/dbraw/zinc/52/72/84/487527284.db2.gz QZGMFMNKSAXGQB-UHFFFAOYSA-N 1 0 235.327 1.870 10 0 BDAERO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCNC1=O ZINC000658052127 487534121 /nfs/dbraw/zinc/53/41/21/487534121.db2.gz ARUMGAUZNRDYMT-WCBMZHEXSA-N 1 0 224.329 1.157 10 0 BDAERO CC(C)C[C@H](C)[N@@H+]1CCOC[C@H]1CO ZINC000308451959 487675578 /nfs/dbraw/zinc/67/55/78/487675578.db2.gz CPXZAYOXWTXNOW-WDEREUQCSA-N 1 0 201.310 1.114 10 0 BDAERO CCC1(NC(=O)[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000389323006 488088551 /nfs/dbraw/zinc/08/85/51/488088551.db2.gz OSRVNQSBJIOFQB-NSHDSACASA-N 1 0 240.347 1.061 10 0 BDAERO CC(C)[C@H](CCO)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000390102921 488137106 /nfs/dbraw/zinc/13/71/06/488137106.db2.gz AUUZIWOZVRLVKA-AVGNSLFASA-N 1 0 229.364 1.534 10 0 BDAERO CC(C)[C@H](CCO)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000390102922 488137204 /nfs/dbraw/zinc/13/72/04/488137204.db2.gz AUUZIWOZVRLVKA-UPJWGTAASA-N 1 0 229.364 1.534 10 0 BDAERO CC(C)C[C@@H](C)[N@@H+]1CCOC[C@H]1CO ZINC000308451952 488203391 /nfs/dbraw/zinc/20/33/91/488203391.db2.gz CPXZAYOXWTXNOW-GHMZBOCLSA-N 1 0 201.310 1.114 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1csnn1 ZINC000398230895 488215557 /nfs/dbraw/zinc/21/55/57/488215557.db2.gz IGSLXXROBZDIRS-LPEHRKFASA-N 1 0 241.360 1.740 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCCSCC1 ZINC000084310319 488221699 /nfs/dbraw/zinc/22/16/99/488221699.db2.gz JRXISHOZQUCSAA-GHMZBOCLSA-N 1 0 242.388 1.327 10 0 BDAERO C[C@@H]1C[C@H](CO)C[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000398842806 488224597 /nfs/dbraw/zinc/22/45/97/488224597.db2.gz SFLNXAZNYBTWEX-MQYQWHSLSA-N 1 0 241.375 1.488 10 0 BDAERO Nc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000398847650 488224760 /nfs/dbraw/zinc/22/47/60/488224760.db2.gz LUNZVCSBECVSFR-KCQAQPDRSA-N 1 0 246.354 1.862 10 0 BDAERO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)sn1 ZINC000399162060 488227480 /nfs/dbraw/zinc/22/74/80/488227480.db2.gz JDOKKCZMVWHAEP-WPRPVWTQSA-N 1 0 242.344 1.809 10 0 BDAERO O[C@H]1CCC[C@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000037164060 490146060 /nfs/dbraw/zinc/14/60/60/490146060.db2.gz VPXJYSOBWVVOFS-RYUDHWBXSA-N 1 0 249.310 1.808 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(C)ccc1F ZINC000054071886 490190999 /nfs/dbraw/zinc/19/09/99/490190999.db2.gz HWPVQOGXNVPFAR-MRVPVSSYSA-N 1 0 210.252 1.681 10 0 BDAERO Cc1c[nH]nc1[C@H](C[NH3+])C1(CO)CCCC1 ZINC000536953981 490235602 /nfs/dbraw/zinc/23/56/02/490235602.db2.gz MPXAYMQNVJYANU-JTQLQIEISA-N 1 0 223.320 1.313 10 0 BDAERO C[C@@H]([NH3+])CNc1nc(C(F)(F)F)ns1 ZINC000228789881 490303051 /nfs/dbraw/zinc/30/30/51/490303051.db2.gz ZFZRJSGCZIHLKP-GSVOUGTGSA-N 1 0 226.227 1.316 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300233213 490552614 /nfs/dbraw/zinc/55/26/14/490552614.db2.gz PFIIXOHVFIYNQU-NEPJUHHUSA-N 1 0 244.404 1.050 10 0 BDAERO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000300420387 490561037 /nfs/dbraw/zinc/56/10/37/490561037.db2.gz GQENSPJSXCMQPX-TUAOUCFPSA-N 1 0 235.331 1.739 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000222655848 490654339 /nfs/dbraw/zinc/65/43/39/490654339.db2.gz AIHOPASNBMYUIC-LNFKQOIKSA-N 1 0 201.310 1.303 10 0 BDAERO CC(C)NC1=[NH+]N(C)[C@@H](C(F)(F)F)C1 ZINC000057347326 519718645 /nfs/dbraw/zinc/71/86/45/519718645.db2.gz FWAPVGYMZRJWKK-ZCFIWIBFSA-N 1 0 209.215 1.564 10 0 BDAERO C[C@@H]([NH2+]Cc1cn[nH]c1)c1cncc(F)c1 ZINC000227772795 491065363 /nfs/dbraw/zinc/06/53/63/491065363.db2.gz PNFLVYWRFXENAI-MRVPVSSYSA-N 1 0 220.251 1.795 10 0 BDAERO CC[C@@H](C)N(CC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037113297 491078552 /nfs/dbraw/zinc/07/85/52/491078552.db2.gz SLAWCBOSWSXBDP-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)CC2CC2)C1 ZINC000086004733 491056159 /nfs/dbraw/zinc/05/61/59/491056159.db2.gz DZHZQDBWOVAWFD-WCQYABFASA-N 1 0 226.364 1.485 10 0 BDAERO C[C@H]1CCCN(C(=O)[C@H]2CCCO2)[C@@H]1CC[NH3+] ZINC000404292885 491093545 /nfs/dbraw/zinc/09/35/45/491093545.db2.gz VVAPUNOPGPCJBB-QJPTWQEYSA-N 1 0 240.347 1.141 10 0 BDAERO Cc1cc(C(C)C)nc(NC[C@@H](C)[NH3+])n1 ZINC000229930142 491121289 /nfs/dbraw/zinc/12/12/89/491121289.db2.gz SZULYVLTILPBOV-MRVPVSSYSA-N 1 0 208.309 1.668 10 0 BDAERO CC[C@@H](C)C[NH2+]C1CCN(CCO)CC1 ZINC000309244136 491146610 /nfs/dbraw/zinc/14/66/10/491146610.db2.gz YWJIYGBOCQCLBI-LLVKDONJSA-N 1 0 214.353 1.079 10 0 BDAERO CC1CC([NH2+]C[C@@H]2CCn3ccnc3C2)C1 ZINC000309512990 491150694 /nfs/dbraw/zinc/15/06/94/491150694.db2.gz XWLMPCDTOTZRNC-MOENNCHZSA-N 1 0 219.332 1.834 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC000309556447 491151384 /nfs/dbraw/zinc/15/13/84/491151384.db2.gz HTYRPOCDUPFDPN-GXFFZTMASA-N 1 0 216.284 1.638 10 0 BDAERO C[NH2+]Cc1sc([C@@H](O)CCOC)nc1C ZINC000757129555 582504045 /nfs/dbraw/zinc/50/40/45/582504045.db2.gz NMYGLFUKSMAOON-QMMMGPOBSA-N 1 0 230.333 1.241 10 0 BDAERO FC(F)CN1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129209 582504663 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536768035 /nfs/dbraw/zinc/76/80/35/536768035.db2.gz WGEXFBNUFRIQEG-YPMHNXCESA-N 1 0 234.343 1.801 10 0 BDAERO c1nc(-c2cccc(C[NH2+]CC3CC3)c2)n[nH]1 ZINC000115620851 537904869 /nfs/dbraw/zinc/90/48/69/537904869.db2.gz AXEMRLGVEYKYSS-UHFFFAOYSA-N 1 0 228.299 1.971 10 0 BDAERO OC1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000236468955 537915742 /nfs/dbraw/zinc/91/57/42/537915742.db2.gz HWVAJOUDAPCQOB-ADPBJBESSA-N 1 0 213.321 1.183 10 0 BDAERO CC(C)[C@H]([NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257628 538066163 /nfs/dbraw/zinc/06/61/63/538066163.db2.gz UBOQONHXJQMPRU-NSHDSACASA-N 1 0 247.302 1.239 10 0 BDAERO CCO[C@H]1C[NH2+]C[C@H]1CNC(=O)OC(C)(C)C ZINC000307312356 566278592 /nfs/dbraw/zinc/27/85/92/566278592.db2.gz GNORXHTXMBLWJX-UWVGGRQHSA-N 1 0 244.335 1.136 10 0 BDAERO CCOc1ccc([C@@H]2C[NH2+]C[C@@]2(N)CC)cc1 ZINC000725262687 566308995 /nfs/dbraw/zinc/30/89/95/566308995.db2.gz CUTKBAGJQFQJNW-KBPBESRZSA-N 1 0 234.343 1.880 10 0 BDAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccco1 ZINC000399202638 583171547 /nfs/dbraw/zinc/17/15/47/583171547.db2.gz UNNAOBLIZIZCLX-LLVKDONJSA-N 1 0 238.331 1.387 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1)C(N)=O ZINC000107323021 582459839 /nfs/dbraw/zinc/45/98/39/582459839.db2.gz DWPUQAXBFWVGRJ-LLVKDONJSA-N 1 0 224.279 1.425 10 0 BDAERO Cc1nc(C(=O)C2CCC2)sc1CC[NH3+] ZINC000757123949 582498887 /nfs/dbraw/zinc/49/88/87/582498887.db2.gz MDHZCGBAPKCRKO-UHFFFAOYSA-N 1 0 224.329 1.936 10 0 BDAERO Cc1nc([C@H](O)[C@H]2C[C@H]2C)sc1C[NH3+] ZINC000757126956 582501937 /nfs/dbraw/zinc/50/19/37/582501937.db2.gz HXSINOUOFHSVAK-XZKCWBSRSA-N 1 0 212.318 1.600 10 0 BDAERO CC(C)C[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757131389 582506056 /nfs/dbraw/zinc/50/60/56/582506056.db2.gz RSKRAKNTNWZBGS-VIFPVBQESA-N 1 0 214.334 1.724 10 0 BDAERO C[C@@H]1C[C@@H]1[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757133391 582509659 /nfs/dbraw/zinc/50/96/59/582509659.db2.gz VTYRMXIOUXBBRG-YEPSODPASA-N 1 0 212.318 1.334 10 0 BDAERO CC(C)(C)[C@@H]1CCO[C@@]2(CN3CCC2CC3)[NH2+]1 ZINC000757140436 582520868 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/nfs/dbraw/zinc/52/97/85/582529785.db2.gz NIFITUALVBMXDL-BDAKNGLRSA-N 1 0 206.280 1.701 10 0 BDAERO CC(C)[C@@H]1O[C@@]2(CC[NH2+]C2)NCC1(C)C ZINC000757146768 582530564 /nfs/dbraw/zinc/53/05/64/582530564.db2.gz LIPUPDLOBNFQBB-CMPLNLGQSA-N 1 0 212.337 1.347 10 0 BDAERO CC1(C)CC2(CC(C)(C)[NH2+]1)NCC(F)(F)CO2 ZINC000757148800 582532644 /nfs/dbraw/zinc/53/26/44/582532644.db2.gz NXWNZANRYZFYTO-UHFFFAOYSA-N 1 0 248.317 1.878 10 0 BDAERO CC(C)[C@H]1O[C@]2(CCOC2)[NH2+]CC1(C)C ZINC000757153305 582537248 /nfs/dbraw/zinc/53/72/48/582537248.db2.gz UNTQEENSENDSCJ-PWSUYJOCSA-N 1 0 213.321 1.774 10 0 BDAERO c1ccc(C[C@@H]2CCO[C@]3(CCOC3)[NH2+]2)cc1 ZINC000757153919 582538839 /nfs/dbraw/zinc/53/88/39/582538839.db2.gz YLSNLSAAIUGKQJ-KBPBESRZSA-N 1 0 233.311 1.724 10 0 BDAERO c1ccc(C[C@H]2CCO[C@]3(CCOC3)[NH2+]2)cc1 ZINC000757153920 582539168 /nfs/dbraw/zinc/53/91/68/582539168.db2.gz YLSNLSAAIUGKQJ-KGLIPLIRSA-N 1 0 233.311 1.724 10 0 BDAERO CCCC[C@H]([NH3+])CS(=O)(=O)N(CC)CC ZINC000757153991 582539357 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ZINC000054499187 636744040 /nfs/dbraw/zinc/74/40/40/636744040.db2.gz YCDPSJZUXXCEAH-UHFFFAOYSA-N 1 0 216.288 1.292 10 0 BDAERO C[C@]1(C[NH+]2CCCCC2)NCCc2nc[nH]c21 ZINC000067755750 636785647 /nfs/dbraw/zinc/78/56/47/636785647.db2.gz XMYAYBQTFDETEI-CYBMUJFWSA-N 1 0 234.347 1.257 10 0 BDAERO C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000149253787 638255619 /nfs/dbraw/zinc/25/56/19/638255619.db2.gz QGPZHWLFVOOMGK-UWVGGRQHSA-N 1 0 212.337 1.394 10 0 BDAERO C(C[NH2+]C1CC1)CN1CCO[C@H]2CCCC[C@H]21 ZINC000043427159 638318151 /nfs/dbraw/zinc/31/81/51/638318151.db2.gz HQPUSMQUEZYYLJ-KGLIPLIRSA-N 1 0 238.375 1.772 10 0 BDAERO C[C@@H](O)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000164565548 638351032 /nfs/dbraw/zinc/35/10/32/638351032.db2.gz HDFGQSNOUGFZGZ-VXGBXAGGSA-N 1 0 207.317 1.978 10 0 BDAERO COc1ccc([C@H]2CC[NH+]=C(N)N2)cc1 ZINC000149611707 638738995 /nfs/dbraw/zinc/73/89/95/638738995.db2.gz HTLKVVRBTOVJEC-SNVBAGLBSA-N 1 0 205.261 1.044 10 0 BDAERO NC1=[NH+]CC[C@H](c2cc(F)ccc2F)N1 ZINC000163574042 639063366 /nfs/dbraw/zinc/06/33/66/639063366.db2.gz VFWDLCBNUNNSEI-SECBINFHSA-N 1 0 211.215 1.314 10 0 BDAERO C[C@H](NC(=O)CC(F)(F)F)C1CC[NH2+]CC1 ZINC000035689805 639833258 /nfs/dbraw/zinc/83/32/58/639833258.db2.gz XIQXEYNCOOFWEO-ZETCQYMHSA-N 1 0 238.253 1.443 10 0 BDAERO CC[NH2+]CC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000044294450 640177819 /nfs/dbraw/zinc/17/78/19/640177819.db2.gz GBOZSQBNILOUFK-MRVPVSSYSA-N 1 0 242.269 1.752 10 0 BDAERO CCc1nc([C@H]([NH3+])C2CCCCC2)n(C)n1 ZINC000054696943 640305496 /nfs/dbraw/zinc/30/54/96/640305496.db2.gz WFKOWNKNPFBHQN-LLVKDONJSA-N 1 0 222.336 1.958 10 0 BDAERO CCc1nc(CC[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000054697176 640306053 /nfs/dbraw/zinc/30/60/53/640306053.db2.gz CYMVENDBVCAOIU-SNVBAGLBSA-N 1 0 222.336 1.310 10 0 BDAERO Cn1nc(C(C)(C)C)nc1[C@@H]1CCCC[NH2+]1 ZINC000054698763 640319367 /nfs/dbraw/zinc/31/93/67/640319367.db2.gz DZUAVRNVRAASNQ-VIFPVBQESA-N 1 0 222.336 1.927 10 0 BDAERO c1cc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)ncn1 ZINC000156308668 640399216 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ZINC000087548656 640922488 /nfs/dbraw/zinc/92/24/88/640922488.db2.gz CQFGNELDEFEDMQ-BDAKNGLRSA-N 1 0 221.304 1.964 10 0 BDAERO C[C@@H](CC[S@](C)=O)[NH2+]CCc1ccccc1 ZINC000229153789 640928203 /nfs/dbraw/zinc/92/82/03/640928203.db2.gz HHJSQZMXDOQBNM-LRDDRELGSA-N 1 0 239.384 1.976 10 0 BDAERO [NH3+][C@H]1CC[C@H](c2nc(-c3cscn3)no2)C1 ZINC000087588668 640933107 /nfs/dbraw/zinc/93/31/07/640933107.db2.gz CEYZZCKFCFRIBM-BQBZGAKWSA-N 1 0 236.300 1.788 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@]12CCCC(C)(C)C2 ZINC000229210245 640934633 /nfs/dbraw/zinc/93/46/33/640934633.db2.gz FGYCUHYVTPOZNZ-GXFFZTMASA-N 1 0 225.332 1.965 10 0 BDAERO CCOc1ccc2c(c1)OC[C@@H]([C@@H](C)[NH3+])C2 ZINC000675064360 640962285 /nfs/dbraw/zinc/96/22/85/640962285.db2.gz YOXZAVKNVLITPG-KOLCDFICSA-N 1 0 221.300 1.984 10 0 BDAERO CC(=O)N[C@H]1CCC[N@H+](C[Si](C)(C)C)C1 ZINC000171733540 641004432 /nfs/dbraw/zinc/00/44/32/641004432.db2.gz NXKYCMLQUCXPEA-NSHDSACASA-N 1 0 228.412 1.464 10 0 BDAERO COC1CC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000230675666 641080757 /nfs/dbraw/zinc/08/07/57/641080757.db2.gz WAAOFMOAQPLKCX-ULOBAINLSA-N 1 0 225.332 1.567 10 0 BDAERO CC(C)[C@@H]1CCC[C@@](C[NH3+])(OCCO)C1 ZINC000231020160 641125102 /nfs/dbraw/zinc/12/51/02/641125102.db2.gz XJSUERJWRIJUQD-VXGBXAGGSA-N 1 0 215.337 1.539 10 0 BDAERO CCc1ccc(C(=O)NCC[C@@H](C)[NH3+])s1 ZINC000063169910 641142546 /nfs/dbraw/zinc/14/25/46/641142546.db2.gz DRAPRXKZGZANFB-MRVPVSSYSA-N 1 0 226.345 1.778 10 0 BDAERO C([C@@H]1CCCO1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190285 641142601 /nfs/dbraw/zinc/14/26/01/641142601.db2.gz OERPJYRKGYWBIQ-MELADBBJSA-N 1 0 238.375 1.772 10 0 BDAERO COCCN(C)CC[NH2+]CCc1ccccc1 ZINC000061374991 641184274 /nfs/dbraw/zinc/18/42/74/641184274.db2.gz RWISBSDDOXEIHQ-UHFFFAOYSA-N 1 0 236.359 1.397 10 0 BDAERO CCC[C@H]1C[C@@H]1Nc1cc(C)[nH+]c(N)n1 ZINC000231663662 641191822 /nfs/dbraw/zinc/19/18/22/641191822.db2.gz WDUBMDJDKFCVID-IUCAKERBSA-N 1 0 206.293 1.968 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000232577568 641305930 /nfs/dbraw/zinc/30/59/30/641305930.db2.gz BVYJQNOEYVKZQX-CYBMUJFWSA-N 1 0 227.348 1.840 10 0 BDAERO CC(C)(C)OC(=O)N[C@H](CO)CCCC[NH3+] ZINC000039433960 641328306 /nfs/dbraw/zinc/32/83/06/641328306.db2.gz HMYNSIWLDDOZIQ-VIFPVBQESA-N 1 0 232.324 1.001 10 0 BDAERO CC(=O)[C@H]1CCC[N@@H+](CCOCC(C)C)C1 ZINC000232662871 641329732 /nfs/dbraw/zinc/32/97/32/641329732.db2.gz DYGYMBSIWHSOII-ZDUSSCGKSA-N 1 0 227.348 1.960 10 0 BDAERO CCCc1noc(CC[C@H]2CCC[NH2+]C2)n1 ZINC000043586500 641568047 /nfs/dbraw/zinc/56/80/47/641568047.db2.gz TXCZFQYDMJSBCO-SNVBAGLBSA-N 1 0 223.320 1.954 10 0 BDAERO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cn1 ZINC000156085877 641593232 /nfs/dbraw/zinc/59/32/32/641593232.db2.gz AJFLGADGEYDCAK-CHWSQXEVSA-N 1 0 220.316 1.641 10 0 BDAERO CSCC[C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158320249 641631051 /nfs/dbraw/zinc/63/10/51/641631051.db2.gz DNBWBAPJTJGZGH-GUBZILKMSA-N 1 0 230.377 1.372 10 0 BDAERO CCCCCC[N@@H+]1CCOC[C@@H]1CO ZINC000159261793 641673310 /nfs/dbraw/zinc/67/33/10/641673310.db2.gz KLBIKXLVTKRGBO-NSHDSACASA-N 1 0 201.310 1.260 10 0 BDAERO C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1CO ZINC000190869448 641893135 /nfs/dbraw/zinc/89/31/35/641893135.db2.gz LLHKLPRHLXRIHW-MNOVXSKESA-N 1 0 225.357 1.851 10 0 BDAERO O=C([C@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CCSC1 ZINC000409434528 642337329 /nfs/dbraw/zinc/33/73/29/642337329.db2.gz PQVTZHOZGVICBU-GHMZBOCLSA-N 1 0 240.372 1.235 10 0 BDAERO CC(C)(C)SCC[NH2+]C(C)(C)CO ZINC000308195750 642497753 /nfs/dbraw/zinc/49/77/53/642497753.db2.gz QWJCBUNEPQRERZ-UHFFFAOYSA-N 1 0 205.367 1.879 10 0 BDAERO CCCCCCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232959462 642637014 /nfs/dbraw/zinc/63/70/14/642637014.db2.gz NPFWLYOVGAGNFU-QWRGUYRKSA-N 1 0 212.337 1.762 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cn2cccnc2=S)C1 ZINC000170842824 642696256 /nfs/dbraw/zinc/69/62/56/642696256.db2.gz LNWFYVIJWNOBSD-SNVBAGLBSA-N 1 0 238.360 1.206 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000237546993 642716093 /nfs/dbraw/zinc/71/60/93/642716093.db2.gz YKRGPAORQQLIIQ-LLVKDONJSA-N 1 0 220.316 1.330 10 0 BDAERO C[C@H]([NH3+])[C@H]1CCCCN1C[C@H]1CCCO1 ZINC000251645793 642882198 /nfs/dbraw/zinc/88/21/98/642882198.db2.gz SKQHSJQDLMYKCU-QJPTWQEYSA-N 1 0 212.337 1.367 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1COc2ccccc21 ZINC000070530554 643033838 /nfs/dbraw/zinc/03/38/38/643033838.db2.gz PBRKFJLGWNGWSS-NEPJUHHUSA-N 1 0 248.326 1.610 10 0 BDAERO C[C@@H]1COC[C@H](C)[N@H+]1CCCCCCO ZINC000175774599 643280414 /nfs/dbraw/zinc/28/04/14/643280414.db2.gz ZIAAOTQCPASZFA-TXEJJXNPSA-N 1 0 215.337 1.648 10 0 BDAERO [NH3+]CC[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000082372542 643306944 /nfs/dbraw/zinc/30/69/44/643306944.db2.gz SZPADKLVHLJJHX-JTQLQIEISA-N 1 0 212.293 1.489 10 0 BDAERO C1CC2(C1)CC[NH2+][C@@]1(CCCOCC1)O2 ZINC000757149044 643332666 /nfs/dbraw/zinc/33/26/66/643332666.db2.gz PHQKCLLGCQGLJD-LBPRGKRZSA-N 1 0 211.305 1.816 10 0 BDAERO CC[C@H]1CC[NH2+][C@@]2(CCCSC2)O1 ZINC000757149120 643333097 /nfs/dbraw/zinc/33/30/97/643333097.db2.gz WRXDSGDCNYRPRA-UWVGGRQHSA-N 1 0 201.335 1.998 10 0 BDAERO CC[C@H](C)c1noc([C@H]2C[NH2+]CCO2)n1 ZINC000082570020 643345516 /nfs/dbraw/zinc/34/55/16/643345516.db2.gz ZSEAAOCMRANZFR-JGVFFNPUSA-N 1 0 211.265 1.244 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1cccc(C(F)(F)F)n1 ZINC000082592715 643351053 /nfs/dbraw/zinc/35/10/53/643351053.db2.gz AWDDNBNCKIZIPE-SSDOTTSWSA-N 1 0 233.237 1.884 10 0 BDAERO CC(C)(C)OC(=O)C[C@@H]([NH3+])Cc1nccs1 ZINC000757171234 643353737 /nfs/dbraw/zinc/35/37/37/643353737.db2.gz QNQMPBGNNCPSEB-QMMMGPOBSA-N 1 0 242.344 1.745 10 0 BDAERO CCC[C@@H]1C[NH2+]CCN1C[C@@H]1CCCO1 ZINC000082926827 643388731 /nfs/dbraw/zinc/38/87/31/643388731.db2.gz JHCWQLJLBSVGNV-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@](C)(O)C[NH2+]CCc1ccccc1 ZINC000083462636 643454436 /nfs/dbraw/zinc/45/44/36/643454436.db2.gz OOAVBDJSERZDQW-ZDUSSCGKSA-N 1 0 207.317 1.980 10 0 BDAERO CSCCc1nc([C@@H](C)C[NH3+])no1 ZINC000070005027 643454771 /nfs/dbraw/zinc/45/47/71/643454771.db2.gz HBEFXZLTATWYLP-LURJTMIESA-N 1 0 201.295 1.037 10 0 BDAERO Cl/C=C\C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000255153394 643520842 /nfs/dbraw/zinc/52/08/42/643520842.db2.gz BLWWVCBHCOBXLC-NNRVYMOVSA-N 1 0 230.739 1.145 10 0 BDAERO C[C@H]([NH3+])CN(C)c1nc(C2CC2)ns1 ZINC000083675768 643542797 /nfs/dbraw/zinc/54/27/97/643542797.db2.gz NSZTYMNZMOFNQJ-LURJTMIESA-N 1 0 212.322 1.199 10 0 BDAERO CN(C)[C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000234241877 643641407 /nfs/dbraw/zinc/64/14/07/643641407.db2.gz PEBFMOJGKFTGBC-GFCCVEGCSA-N 1 0 214.353 1.175 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000084308472 643657585 /nfs/dbraw/zinc/65/75/85/643657585.db2.gz ZDFRYSSBDKFLBN-HTQZYQBOSA-N 1 0 225.317 1.457 10 0 BDAERO CC(C)CN(C)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301750 643658229 /nfs/dbraw/zinc/65/82/29/643658229.db2.gz KIXUXFRYSTTYJV-RYUDHWBXSA-N 1 0 226.364 1.866 10 0 BDAERO [NH3+]C[C@@H](O)c1ccc(F)cc1Br ZINC000084526544 643666235 /nfs/dbraw/zinc/66/62/35/643666235.db2.gz OOYXYCPMBGDRAZ-MRVPVSSYSA-N 1 0 234.068 1.580 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2nccs2)C1 ZINC000085008837 643679038 /nfs/dbraw/zinc/67/90/38/643679038.db2.gz BMWKZBNRXKOFGJ-RQJHMYQMSA-N 1 0 211.290 1.209 10 0 BDAERO C[C@@H](O)CC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000085989710 643881933 /nfs/dbraw/zinc/88/19/33/643881933.db2.gz RVUMEPDISDMNRI-PRHODGIISA-N 1 0 245.269 1.359 10 0 BDAERO C[C@@]1(C(=O)N[C@H]2COc3ccccc32)CCC[NH2+]1 ZINC000079521752 644187448 /nfs/dbraw/zinc/18/74/48/644187448.db2.gz BJNIPUPEGXAOGY-FZMZJTMJSA-N 1 0 246.310 1.378 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(Br)cn1 ZINC000083329119 644404270 /nfs/dbraw/zinc/40/42/70/644404270.db2.gz ZMMGNQVIBIXOIZ-ZETCQYMHSA-N 1 0 231.093 1.226 10 0 BDAERO CC(C)([NH3+])Cc1nc(Cc2ccncc2)no1 ZINC000084144726 644418529 /nfs/dbraw/zinc/41/85/29/644418529.db2.gz GVXVOXOPKBHJME-UHFFFAOYSA-N 1 0 232.287 1.335 10 0 BDAERO CC[C@@H](CO)[NH2+]C[C@H]1Cc2ccccc21 ZINC000085573848 644444158 /nfs/dbraw/zinc/44/41/58/644444158.db2.gz ZVFGSRHLMQSLPH-NEPJUHHUSA-N 1 0 205.301 1.687 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CO)cc1F ZINC000087284322 644486128 /nfs/dbraw/zinc/48/61/28/644486128.db2.gz MWZAHVFDUNZLKR-MWLCHTKSSA-N 1 0 227.279 1.138 10 0 BDAERO CC[C@@H](C)c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000087506960 644496841 /nfs/dbraw/zinc/49/68/41/644496841.db2.gz JFQYILKOURKRPB-BDAKNGLRSA-N 1 0 225.292 1.114 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000685946139 644518160 /nfs/dbraw/zinc/51/81/60/644518160.db2.gz LEWFFBHJEQNFEJ-AEJSXWLSSA-N 1 0 216.300 1.320 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H](C2C[NH2+]C2)C1 ZINC000091304855 644623162 /nfs/dbraw/zinc/62/31/62/644623162.db2.gz VJSCBCZNNHYGQH-VIFPVBQESA-N 1 0 226.320 1.463 10 0 BDAERO [NH3+]C1CC(CNC(=O)[C@H]2COc3ccccc32)C1 ZINC000091524139 644628137 /nfs/dbraw/zinc/62/81/37/644628137.db2.gz ZRWVWWXZAMZDAA-CBINBANVSA-N 1 0 246.310 1.016 10 0 BDAERO Cc1ccc(C(=O)NCC2CC([NH3+])C2)c(C)c1 ZINC000091538860 644629414 /nfs/dbraw/zinc/62/94/14/644629414.db2.gz USJQKNOEKSJDFO-UHFFFAOYSA-N 1 0 232.327 1.771 10 0 BDAERO COc1ncccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091542040 644629479 /nfs/dbraw/zinc/62/94/79/644629479.db2.gz YXEOWFLQPGAXKI-RKDXNWHRSA-N 1 0 235.287 1.156 10 0 BDAERO COC(=O)[C@H]1C[N@H+](Cc2ccccn2)C[C@H]1C ZINC000094996503 644734845 /nfs/dbraw/zinc/73/48/45/644734845.db2.gz WHMGXPHSPRITSL-PWSUYJOCSA-N 1 0 234.299 1.323 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCc2ccccc2)C[C@H]1C ZINC000094996283 644735812 /nfs/dbraw/zinc/73/58/12/644735812.db2.gz KAHJHUBCCFAICD-OCCSQVGLSA-N 1 0 247.338 1.970 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000095638548 644761657 /nfs/dbraw/zinc/76/16/57/644761657.db2.gz HOVQWMDNUZBRAF-LURJTMIESA-N 1 0 249.097 1.951 10 0 BDAERO O[C@H](C[N@@H+]1CCO[C@H]2CCCC[C@H]21)C1CC1 ZINC000250884362 644785654 /nfs/dbraw/zinc/78/56/54/644785654.db2.gz WEXQQYPUFPLNCO-UPJWGTAASA-N 1 0 225.332 1.401 10 0 BDAERO COC(=O)[C@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1C ZINC000250955734 644787113 /nfs/dbraw/zinc/78/71/13/644787113.db2.gz BHVSGIOQPOFVOH-KCJUWKMLSA-N 1 0 238.287 1.224 10 0 BDAERO [NH3+][C@@H]1CC[C@H](c2nc([C@H]3CCCOC3)no2)C1 ZINC000251526674 644808231 /nfs/dbraw/zinc/80/82/31/644808231.db2.gz XGHUDMZWRBJAKT-LPEHRKFASA-N 1 0 237.303 1.558 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000252595395 644867747 /nfs/dbraw/zinc/86/77/47/644867747.db2.gz HIKOMOQQOPJYOL-NHCYSSNCSA-N 1 0 246.310 1.234 10 0 BDAERO [NH3+][C@H]1CC[C@H](c2nc(Cc3ccccn3)no2)C1 ZINC000097067699 644868938 /nfs/dbraw/zinc/86/89/38/644868938.db2.gz FVBHJBMXDFWELE-UWVGGRQHSA-N 1 0 244.298 1.650 10 0 BDAERO CCCOc1ccnc(NC[C@H](C)[NH2+]C)n1 ZINC000304299916 644889809 /nfs/dbraw/zinc/88/98/09/644889809.db2.gz OUIJCXRSBUEWIK-VIFPVBQESA-N 1 0 224.308 1.285 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(C)C)[C@H]1OC ZINC000252793317 644906502 /nfs/dbraw/zinc/90/65/02/644906502.db2.gz WYRHFLUIHNIFLC-WRWGMCAJSA-N 1 0 215.337 1.813 10 0 BDAERO OCC[C@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000252890013 644920305 /nfs/dbraw/zinc/92/03/05/644920305.db2.gz GESFUCANLYQZAA-OCCSQVGLSA-N 1 0 235.327 1.424 10 0 BDAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCF ZINC000253089201 644937383 /nfs/dbraw/zinc/93/73/83/644937383.db2.gz GNMATRVLCNJXGS-QJPTWQEYSA-N 1 0 215.312 1.971 10 0 BDAERO Cc1cnc(CN[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000724047680 711557303 /nfs/dbraw/zinc/55/73/03/711557303.db2.gz JVGFUROZKGFGSU-LLVKDONJSA-N 1 0 205.305 1.150 10 0 BDAERO [NH3+]C1CC(C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000258624948 711557972 /nfs/dbraw/zinc/55/79/72/711557972.db2.gz CFHJWLKMPYJAAB-UHFFFAOYSA-N 1 0 226.226 1.641 10 0 BDAERO [NH3+]C1(CNc2cncc(Br)c2)CC1 ZINC000725705144 711674889 /nfs/dbraw/zinc/67/48/89/711674889.db2.gz UQKVKGMOKJDKNN-UHFFFAOYSA-N 1 0 242.120 1.747 10 0 BDAERO CC[C@@H]1CN(c2cncc(Cl)n2)CC[C@H]1[NH3+] ZINC000253173498 711764479 /nfs/dbraw/zinc/76/44/79/711764479.db2.gz LTEFVPWZFOZLNQ-RKDXNWHRSA-N 1 0 240.738 1.694 10 0 BDAERO CC(C)(O)[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000721829967 711777948 /nfs/dbraw/zinc/77/79/48/711777948.db2.gz BGAOHQZMQLUTLJ-YNEHKIRRSA-N 1 0 241.375 1.630 10 0 BDAERO CSC1CC([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000706859887 712157152 /nfs/dbraw/zinc/15/71/52/712157152.db2.gz RODWHBMFGIZGEE-SEZDTBSWSA-N 1 0 201.335 1.647 10 0 BDAERO CCC(F)(F)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708829604 712200198 /nfs/dbraw/zinc/20/01/98/712200198.db2.gz ZQZKSFSECYXLCF-SFYZADRCSA-N 1 0 220.263 1.085 10 0 BDAERO CC[N@@H+]1CC[C@H](N[C@H](C)c2cn(C)cn2)C1 ZINC000709951639 712234342 /nfs/dbraw/zinc/23/43/42/712234342.db2.gz ZLJZANWQXDHJOT-MNOVXSKESA-N 1 0 222.336 1.165 10 0 BDAERO O[C@]12CCCC[C@@H]1C[N@H+](CCOC1CC1)CC2 ZINC000711653971 712314256 /nfs/dbraw/zinc/31/42/56/712314256.db2.gz GXANXXKJWURXJN-OCCSQVGLSA-N 1 0 239.359 1.792 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000378719241 712358120 /nfs/dbraw/zinc/35/81/20/712358120.db2.gz DXBZJPRLJWEDAD-IEBDPFPHSA-N 1 0 221.304 1.554 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1cnc(Cl)s1 ZINC000378803961 712361822 /nfs/dbraw/zinc/36/18/22/712361822.db2.gz VXENHGIJDGOJHI-BQBZGAKWSA-N 1 0 249.742 1.668 10 0 BDAERO COc1cc(C)nc(N[C@@H]2C[NH2+]CC2(C)C)n1 ZINC000721857846 712390778 /nfs/dbraw/zinc/39/07/78/712390778.db2.gz BUZMSKKWHCUWGB-SECBINFHSA-N 1 0 236.319 1.204 10 0 BDAERO CC[N@@H+]1CC[C@@H](NCc2cnn(C)c2Cl)C1 ZINC000712456780 712430693 /nfs/dbraw/zinc/43/06/93/712430693.db2.gz ZSMCGSHSPNEFFW-SNVBAGLBSA-N 1 0 242.754 1.257 10 0 BDAERO CCN1CC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000712580662 712433565 /nfs/dbraw/zinc/43/35/65/712433565.db2.gz IYBGYDXZHOCVTQ-LPWJVIDDSA-N 1 0 238.375 1.484 10 0 BDAERO C[C@H]1CN(Cc2scnc2Cl)C[C@H]1[NH3+] ZINC000713479798 712461809 /nfs/dbraw/zinc/46/18/09/712461809.db2.gz CWPLWUOAFNYQFT-NKWVEPMBSA-N 1 0 231.752 1.576 10 0 BDAERO CCn1cc(C[NH2+]C2CC(COC)C2)cn1 ZINC000713915330 712472913 /nfs/dbraw/zinc/47/29/13/712472913.db2.gz DTNDEKNJSZHSAG-UHFFFAOYSA-N 1 0 223.320 1.418 10 0 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228.299 1.556 10 0 BDAERO CN(C)C[C@H](O)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719210057 712800160 /nfs/dbraw/zinc/80/01/60/712800160.db2.gz BKQWYWOVXXSIRL-CHWSQXEVSA-N 1 0 242.407 1.857 10 0 BDAERO Cc1conc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000720380242 712837212 /nfs/dbraw/zinc/83/72/12/712837212.db2.gz RASFUMZUUAYHNM-NSHDSACASA-N 1 0 223.320 1.557 10 0 BDAERO C[C@H](C[NH3+])c1noc(C2(C)CC(F)(F)C2)n1 ZINC000720425107 712842023 /nfs/dbraw/zinc/84/20/23/712842023.db2.gz QKQITYRGEALFJW-ZCFIWIBFSA-N 1 0 231.246 1.819 10 0 BDAERO CC(C)n1nccc1CN[C@@H](C)c1cn(C)nn1 ZINC000720590894 712855821 /nfs/dbraw/zinc/85/58/21/712855821.db2.gz MECYFXZOBNXLQX-JTQLQIEISA-N 1 0 248.334 1.443 10 0 BDAERO Cc1cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c(C)nn1 ZINC000720604909 712857775 /nfs/dbraw/zinc/85/77/75/712857775.db2.gz GZHCMJPFIIBYNX-TVQRCGJNSA-N 1 0 235.331 1.296 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720890649 712875221 /nfs/dbraw/zinc/87/52/21/712875221.db2.gz CEUYLUVJXKCEPZ-VWYCJHECSA-N 1 0 213.321 1.305 10 0 BDAERO Cc1cc(NCC[C@@H]2C[NH2+]C[C@H]2C)nc(C)n1 ZINC000721095223 712890496 /nfs/dbraw/zinc/89/04/96/712890496.db2.gz DUJXZTYRSDDYFH-BXKDBHETSA-N 1 0 234.347 1.751 10 0 BDAERO CCO[C@@H]1CCC[C@H]([NH2+]C2CC(C(N)=O)C2)C1 ZINC000721146539 712892601 /nfs/dbraw/zinc/89/26/01/712892601.db2.gz GOQTXZBDDYJZQP-POSLAHMBSA-N 1 0 240.347 1.188 10 0 BDAERO C(c1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1)C1CCC1 ZINC000721151120 712892791 /nfs/dbraw/zinc/89/27/91/712892791.db2.gz XXXWJJLSVRKBAD-SCVCMEIPSA-N 1 0 233.315 1.735 10 0 BDAERO C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(C(=O)[O-])c2)C1 ZINC000385564638 972002687 /nfs/dbraw/zinc/00/26/87/972002687.db2.gz CASYJKDYZMCWEK-AWEZNQCLSA-N 1 0 248.326 1.556 10 0 BDAERO C[NH+]1CCC(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000687725467 954619609 /nfs/dbraw/zinc/61/96/09/954619609.db2.gz IZCTYUDNNBVFGB-LBPRGKRZSA-N 1 0 240.347 1.125 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000692660021 968917278 /nfs/dbraw/zinc/91/72/78/968917278.db2.gz MFYQSIGGDKRIQT-DGCLKSJQSA-N 1 0 240.347 1.267 10 0 BDAERO C[C@@H](CC[NH+](C)C)[NH2+]CCC(C)(C)C(=O)[O-] ZINC000396026933 972847636 /nfs/dbraw/zinc/84/76/36/972847636.db2.gz KYRFGCKCRGWAIJ-JTQLQIEISA-N 1 0 230.352 1.417 10 0 BDAERO C[NH2+]C[C@H]1CCC[N@H+](CCC(C)(C)C(=O)[O-])C1 ZINC000396041491 972849618 /nfs/dbraw/zinc/84/96/18/972849618.db2.gz RXSKKYPKXWOVCB-LLVKDONJSA-N 1 0 242.363 1.419 10 0 BDAERO C[C@@H](C(=O)[O-])[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000692931363 976552616 /nfs/dbraw/zinc/55/26/16/976552616.db2.gz DOSYCDQWKCNDLL-JQWIXIFHSA-N 1 0 240.347 1.171 10 0 BDAERO CCS(=O)(=O)[C@@H]1CC[C@@H](C(C)C)C[C@H]1[NH2+]C ZINC000685953414 538898218 /nfs/dbraw/zinc/89/82/18/538898218.db2.gz GYRQABIZCYUVHP-IJLUTSLNSA-N 1 0 247.404 1.834 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000685954948 538899676 /nfs/dbraw/zinc/89/96/76/538899676.db2.gz QQMMVXJLLATARM-OUAUKWLOSA-N 1 0 233.377 1.573 10 0 BDAERO [NH3+]CC(F)(F)COCCC(F)(F)F ZINC000685955219 538900300 /nfs/dbraw/zinc/90/03/00/538900300.db2.gz ATWKJBVONVBEKJ-UHFFFAOYSA-N 1 0 207.142 1.549 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000685955164 538900469 /nfs/dbraw/zinc/90/04/69/538900469.db2.gz VKSVQVOBDOZFIL-GMTAPVOTSA-N 1 0 233.377 1.575 10 0 BDAERO CC[NH2+][C@@H]1CC[C@H](S(=O)(=O)C(C)C)[C@@H](C)C1 ZINC000685955335 538900747 /nfs/dbraw/zinc/90/07/47/538900747.db2.gz XQFHZHPXPJGKOQ-TUAOUCFPSA-N 1 0 247.404 1.976 10 0 BDAERO CS[C@@H](C)CCOCC(F)(F)C[NH3+] ZINC000685955457 538901085 /nfs/dbraw/zinc/90/10/85/538901085.db2.gz DQVPLKRSHNEKIS-ZETCQYMHSA-N 1 0 213.293 1.739 10 0 BDAERO CS[C@H](C)CCOCC(F)(F)C[NH3+] ZINC000685955456 538901420 /nfs/dbraw/zinc/90/14/20/538901420.db2.gz DQVPLKRSHNEKIS-SSDOTTSWSA-N 1 0 213.293 1.739 10 0 BDAERO CC(C)NCC(F)(F)COC1COC1 ZINC000685955978 538901596 /nfs/dbraw/zinc/90/15/96/538901596.db2.gz GZSRBYJELNXXOI-UHFFFAOYSA-N 1 0 209.236 1.035 10 0 BDAERO CNCC(F)(F)CN1C[C@H]2CCC[C@@H]21 ZINC000685956872 538901698 /nfs/dbraw/zinc/90/16/98/538901698.db2.gz LWJJRQKCNJPDMK-BDAKNGLRSA-N 1 0 204.264 1.325 10 0 BDAERO Cc1cc(C)cc([C@H]2C[C@]2(C[NH3+])CO)c1 ZINC000070500154 177919512 /nfs/dbraw/zinc/91/95/12/177919512.db2.gz WSDVHZJXBASNPV-OLZOCXBDSA-N 1 0 205.301 1.728 10 0 BDAERO CSCC(C)(C)COCC(F)(F)C[NH3+] ZINC000685956078 538902507 /nfs/dbraw/zinc/90/25/07/538902507.db2.gz WSJBCRJCIKKKAU-UHFFFAOYSA-N 1 0 227.320 1.986 10 0 BDAERO [NH3+]CC(F)(F)Cn1ccnc1C1CC1 ZINC000685956611 538902688 /nfs/dbraw/zinc/90/26/88/538902688.db2.gz GYRJQQQXVXYLHI-UHFFFAOYSA-N 1 0 201.220 1.355 10 0 BDAERO CN(CC(F)(F)CN)[C@@H]1CCCSC1 ZINC000685957158 538903458 /nfs/dbraw/zinc/90/34/58/538903458.db2.gz SGFPKQLJANHAQH-MRVPVSSYSA-N 1 0 224.320 1.408 10 0 BDAERO Cc1nn(CC(F)(F)C[NH3+])c(C)c1Cl ZINC000685957382 538904312 /nfs/dbraw/zinc/90/43/12/538904312.db2.gz WCSHAZCTRQZOMY-UHFFFAOYSA-N 1 0 223.654 1.747 10 0 BDAERO COCCC[NH2+]C[C@@H]1C[C@@]1(CO)C(C)C ZINC000685960910 538908271 /nfs/dbraw/zinc/90/82/71/538908271.db2.gz GVBJWFQBWFNINU-NWDGAFQWSA-N 1 0 215.337 1.267 10 0 BDAERO COCCC[NH2+]CC[C@H](CO)C1CCCC1 ZINC000685963719 538910621 /nfs/dbraw/zinc/91/06/21/538910621.db2.gz WAWJAXYLTNLZNU-CYBMUJFWSA-N 1 0 229.364 1.801 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC[C@@H](C[NH3+])C[C@H]1C ZINC000685952731 538897038 /nfs/dbraw/zinc/89/70/38/538897038.db2.gz CRMZJTXMYKTKKJ-GMTAPVOTSA-N 1 0 233.377 1.573 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N(Cc1ccncc1)C1CC1 ZINC000062114677 349438471 /nfs/dbraw/zinc/43/84/71/349438471.db2.gz NBRSXRLPLBGVGJ-GFCCVEGCSA-N 1 0 245.326 1.182 10 0 BDAERO Cc1cc(C)nc(N(C)[C@@H]2CCC[NH2+]C2)n1 ZINC000082500149 177936820 /nfs/dbraw/zinc/93/68/20/177936820.db2.gz VPTKWTQOMKREGU-LLVKDONJSA-N 1 0 220.320 1.282 10 0 BDAERO CCC[C@@H](C(=O)OCC)n1cnc(N)c1 ZINC000685964149 538911230 /nfs/dbraw/zinc/91/12/30/538911230.db2.gz BJUYAZCQHVQJSI-QMMMGPOBSA-N 1 0 211.265 1.370 10 0 BDAERO C=C(OCC)c1cnn(C)c1C[NH2+]C1CC1 ZINC000685965109 538911586 /nfs/dbraw/zinc/91/15/86/538911586.db2.gz PDMHNJYNSZSDDT-UHFFFAOYSA-N 1 0 221.304 1.679 10 0 BDAERO COc1ccc(C)cc1[C@H]1C[NH2+]C[C@@]1(C)N ZINC000685965454 538911891 /nfs/dbraw/zinc/91/18/91/538911891.db2.gz FBNBZMICKOGSKM-DGCLKSJQSA-N 1 0 220.316 1.408 10 0 BDAERO Cc1ccc([C@H]2C[NH2+]C[C@]2(C)N)c(C)c1 ZINC000685965338 538912042 /nfs/dbraw/zinc/91/20/42/538912042.db2.gz ACQWAPJYCYKMMO-OLZOCXBDSA-N 1 0 204.317 1.708 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000685965420 538912082 /nfs/dbraw/zinc/91/20/82/538912082.db2.gz CWYYCDSGKSLAQA-MNOVXSKESA-N 1 0 210.708 1.744 10 0 BDAERO Cc1cc(C)nc(OC[C@@H]2CCC[NH2+]2)n1 ZINC000051865865 177947354 /nfs/dbraw/zinc/94/73/54/177947354.db2.gz YRBMQGUWPWGRNX-JTQLQIEISA-N 1 0 207.277 1.224 10 0 BDAERO CCC(CC)(C[NH3+])CN(C)Cc1nccn1C ZINC000062322959 168322303 /nfs/dbraw/zinc/32/23/03/168322303.db2.gz RARJNTUMXUYKIW-UHFFFAOYSA-N 1 0 238.379 1.617 10 0 BDAERO CCC(CC)(C[NH3+])N1CCO[C@H](C)C1 ZINC000019519311 168323464 /nfs/dbraw/zinc/32/34/64/168323464.db2.gz YNQKXJUJDALKIU-SNVBAGLBSA-N 1 0 200.326 1.225 10 0 BDAERO CCC(CC)(C[NH3+])Nc1cc(C)nc2ncnn21 ZINC000111823138 168323900 /nfs/dbraw/zinc/32/39/00/168323900.db2.gz PXWSYGROFBOBMT-UHFFFAOYSA-N 1 0 248.334 1.362 10 0 BDAERO CC(C)CCOCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161621032 349476467 /nfs/dbraw/zinc/47/64/67/349476467.db2.gz MZZGSTDGQJQCDR-ZDUSSCGKSA-N 1 0 229.364 1.753 10 0 BDAERO CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CO)CS1 ZINC000378721699 346813734 /nfs/dbraw/zinc/81/37/34/346813734.db2.gz QWMRYYHSOQSTLM-UKKRHICBSA-N 1 0 229.389 1.877 10 0 BDAERO C[C@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000158821545 136214154 /nfs/dbraw/zinc/21/41/54/136214154.db2.gz HUCBKXIJEIMAJJ-NNYUYHANSA-N 1 0 224.348 1.618 10 0 BDAERO CN1CCC[C@H]([NH3+])[C@@H]1Cc1cccc(F)c1 ZINC000616588798 349509072 /nfs/dbraw/zinc/50/90/72/349509072.db2.gz FIBWHAGNCYJFCO-STQMWFEESA-N 1 0 222.307 1.790 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)N[C@@H]1CCSC1 ZINC000389952410 398150804 /nfs/dbraw/zinc/15/08/04/398150804.db2.gz SQJARNMUWZOZGC-NXEZZACHSA-N 1 0 228.361 1.140 10 0 BDAERO Cc1cc(CNC2=[NH+]C(C)(C)CS2)no1 ZINC000044726651 178018232 /nfs/dbraw/zinc/01/82/32/178018232.db2.gz AHXPPNIEGMKKSV-UHFFFAOYSA-N 1 0 225.317 1.954 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCOC2)C12CCC2 ZINC000390406430 398172901 /nfs/dbraw/zinc/17/29/01/398172901.db2.gz BOTNJBNSGQQXHP-WISYIIOYSA-N 1 0 225.332 1.569 10 0 BDAERO Cc1cc(C[C@@H](C)[NH3+])nc(-c2ccco2)n1 ZINC000054835047 178053636 /nfs/dbraw/zinc/05/36/36/178053636.db2.gz SWTBKCVYUAFFIP-MRVPVSSYSA-N 1 0 217.272 1.935 10 0 BDAERO [NH3+][C@@H](c1ccc[nH]1)[C@@H]1CSCCS1 ZINC000307443873 398167291 /nfs/dbraw/zinc/16/72/91/398167291.db2.gz CIFLONBBQLVEST-IUCAKERBSA-N 1 0 214.359 1.863 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000649374720 398186596 /nfs/dbraw/zinc/18/65/96/398186596.db2.gz DHDPWJZOASSNIY-CKYFFXLPSA-N 1 0 242.363 1.432 10 0 BDAERO CO[C@@](C)(C[N@@H+]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000380192890 398188999 /nfs/dbraw/zinc/18/89/99/398188999.db2.gz QAHNWKQMRWYGEE-KGLIPLIRSA-N 1 0 238.375 1.582 10 0 BDAERO Cc1cc(F)ccc1[C@@H]1C[C@@]1(C[NH3+])CO ZINC000070500507 178091626 /nfs/dbraw/zinc/09/16/26/178091626.db2.gz UTFMPECBEZTCCI-NWDGAFQWSA-N 1 0 209.264 1.559 10 0 BDAERO COC[C@@H](C)[NH2+][C@@H](C)c1cnc(C)cn1 ZINC000380205002 398191757 /nfs/dbraw/zinc/19/17/57/398191757.db2.gz WCPUMWCXLQARKP-ZJUUUORDSA-N 1 0 209.293 1.471 10 0 BDAERO Nc1ncccc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000649386193 398192925 /nfs/dbraw/zinc/19/29/25/398192925.db2.gz GLCFTCACPCGXIT-GXSJLCMTSA-N 1 0 203.289 1.648 10 0 BDAERO Cc1cc(N(CCC(N)=[NH2+])C2CC2)nc(C)n1 ZINC000042548325 178101847 /nfs/dbraw/zinc/10/18/47/178101847.db2.gz WUUJJBUEKPVWMM-UHFFFAOYSA-N 1 0 233.319 1.388 10 0 BDAERO c1ccc(-c2nnn3c2C[C@H]2CC[C@@H](C3)[NH2+]2)cc1 ZINC000536961342 398199999 /nfs/dbraw/zinc/19/99/99/398199999.db2.gz ZKRPPFXMUMRUJN-NEPJUHHUSA-N 1 0 240.310 1.622 10 0 BDAERO COc1ccc([C@@]2([NH3+])C[C@H](O)C2)cc1OC ZINC000536960910 398200044 /nfs/dbraw/zinc/20/00/44/398200044.db2.gz SOXOMHVMJDMYSX-WVSHTKLVSA-N 1 0 223.272 1.013 10 0 BDAERO CC[C@H](CO)[NH2+]C[C@H](O)C1CCCCC1 ZINC000380348698 398196284 /nfs/dbraw/zinc/19/62/84/398196284.db2.gz URVWLDRKSUQXMR-NEPJUHHUSA-N 1 0 215.337 1.288 10 0 BDAERO CCN(C)[C@@H]1C[NH2+]C[C@H](C(=O)OC(C)(C)C)C1 ZINC000536960838 398200104 /nfs/dbraw/zinc/20/01/04/398200104.db2.gz SYKGRDVEIMSTNI-MNOVXSKESA-N 1 0 242.363 1.258 10 0 BDAERO CC(C)C1CCC([C@@H](O)[C@@H]([NH3+])CO)CC1 ZINC000379778913 398196665 /nfs/dbraw/zinc/19/66/65/398196665.db2.gz BKRAKUBEICBFAM-MMVSWEMESA-N 1 0 215.337 1.129 10 0 BDAERO CC/C=C\CC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000342230021 365540602 /nfs/dbraw/zinc/54/06/02/365540602.db2.gz GDQSHEANCIIANV-FOQNGQEVSA-N 1 0 224.348 1.895 10 0 BDAERO Nc1cc[nH+]c(N[C@@H]2CCSC2)c1N ZINC000306485708 398203869 /nfs/dbraw/zinc/20/38/69/398203869.db2.gz HNCRWZRXJSXTBN-ZCFIWIBFSA-N 1 0 210.306 1.163 10 0 BDAERO Cc1cc(NC(=O)C2CCC([NH3+])CC2)no1 ZINC000037481687 178125859 /nfs/dbraw/zinc/12/58/59/178125859.db2.gz UITIDKFKIYNICL-UHFFFAOYSA-N 1 0 223.276 1.439 10 0 BDAERO COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000393824203 343982898 /nfs/dbraw/zinc/98/28/98/343982898.db2.gz CQAQMLPVXBZAAX-UTUOFQBUSA-N 1 0 243.347 1.278 10 0 BDAERO C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)C1CC1 ZINC000175306286 365542879 /nfs/dbraw/zinc/54/28/79/365542879.db2.gz LJGDCJPFJIXTKS-KOLCDFICSA-N 1 0 210.321 1.195 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@@H]1C ZINC000380738160 398207007 /nfs/dbraw/zinc/20/70/07/398207007.db2.gz KCTUAVIUBNNPHG-WISYIIOYSA-N 1 0 224.348 1.618 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cnco1 ZINC000616637742 398213710 /nfs/dbraw/zinc/21/37/10/398213710.db2.gz QXCZQXHRORYNQB-SECBINFHSA-N 1 0 209.293 1.419 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000019506779 178145291 /nfs/dbraw/zinc/14/52/91/178145291.db2.gz QQSLUWRPJPYHTI-DCAQKATOSA-N 1 0 249.314 1.842 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000070502652 178145457 /nfs/dbraw/zinc/14/54/57/178145457.db2.gz YNKXXXOUXYXWMN-RKDXNWHRSA-N 1 0 223.276 1.439 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)n(C)n1 ZINC000019435191 178147805 /nfs/dbraw/zinc/14/78/05/178147805.db2.gz DDOWCAXCPJOOGU-WPRPVWTQSA-N 1 0 236.319 1.055 10 0 BDAERO Cc1cc(NC(=O)[C@H](C[NH3+])c2ccccc2)n[nH]1 ZINC000104445879 178148130 /nfs/dbraw/zinc/14/81/30/178148130.db2.gz ILDASIVCYCJGQE-LLVKDONJSA-N 1 0 244.298 1.399 10 0 BDAERO Cc1cc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)no1 ZINC000019479547 178149381 /nfs/dbraw/zinc/14/93/81/178149381.db2.gz CDXUZFAEOVQQEO-GARJFASQSA-N 1 0 249.314 1.842 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1cccs1 ZINC000082920455 136222083 /nfs/dbraw/zinc/22/20/83/136222083.db2.gz XNYSVBWTLGSEEG-NXEZZACHSA-N 1 0 224.329 1.492 10 0 BDAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H](C)O ZINC000386928793 398222931 /nfs/dbraw/zinc/22/29/31/398222931.db2.gz SSVDRQDVSSKHRC-GUBZILKMSA-N 1 0 203.326 1.142 10 0 BDAERO Cc1cc(N[C@H]2CCCC[C@H]2[NH3+])n2ncnc2n1 ZINC000038050749 178188652 /nfs/dbraw/zinc/18/86/52/178188652.db2.gz YFMWFSRUMLYHHR-ZJUUUORDSA-N 1 0 246.318 1.115 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000139317589 361738143 /nfs/dbraw/zinc/73/81/43/361738143.db2.gz DIFRBQGETHYRLU-GHMZBOCLSA-N 1 0 227.352 1.424 10 0 BDAERO Cc1cc(OCC[NH+]2CCCCC2)ncc1N ZINC000077371441 178211296 /nfs/dbraw/zinc/21/12/96/178211296.db2.gz CQSIBZCSXAXXEV-UHFFFAOYSA-N 1 0 235.331 1.837 10 0 BDAERO Cc1cc(OC[C@@H](O)C[NH3+])ccc1C(C)C ZINC000008028902 178211969 /nfs/dbraw/zinc/21/19/69/178211969.db2.gz BUKXYRXXXUCVFN-NSHDSACASA-N 1 0 223.316 1.817 10 0 BDAERO Cc1cc(S[C@@H]2CCC[C@@H]2C[NH3+])n(C)n1 ZINC000052310544 178219951 /nfs/dbraw/zinc/21/99/51/178219951.db2.gz DFXZJXFKXLCTEL-NXEZZACHSA-N 1 0 225.361 1.948 10 0 BDAERO Cc1csc(SC[C@H]2C[NH2+]CCO2)n1 ZINC000070834313 361777716 /nfs/dbraw/zinc/77/77/16/361777716.db2.gz FJTYYUUECDSWKJ-MRVPVSSYSA-N 1 0 230.358 1.532 10 0 BDAERO Cc1cc2c(c(C)c1)NC(=O)[C@H]2CC[NH3+] ZINC000022165906 538936642 /nfs/dbraw/zinc/93/66/42/538936642.db2.gz QBJRNSILCYUKJK-VIFPVBQESA-N 1 0 204.273 1.688 10 0 BDAERO Cc1cc([C@H]([NH3+])CCO)c2ccccc2n1 ZINC000083300039 178262107 /nfs/dbraw/zinc/26/21/07/178262107.db2.gz GCALNTHADKDWGE-GFCCVEGCSA-N 1 0 216.284 1.925 10 0 BDAERO C[C@H]1CCC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000379784408 398238536 /nfs/dbraw/zinc/23/85/36/398238536.db2.gz HHVNCHFLRSMXRH-VHSXEESVSA-N 1 0 208.309 1.563 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)[C@@H](C)C[C@@H]2[NH3+] ZINC000035752219 178285777 /nfs/dbraw/zinc/28/57/77/178285777.db2.gz LJVNWGRTNCLBBV-ONGXEEELSA-N 1 0 239.340 1.869 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)CC[C@H]2[NH3+] ZINC000034975120 178285899 /nfs/dbraw/zinc/28/58/99/178285899.db2.gz IJAXIBCUJNGHDV-SNVBAGLBSA-N 1 0 225.313 1.481 10 0 BDAERO C[NH2+][C@@H]1CS[C@@H]2CCCC[C@H](O)[C@@H]21 ZINC000306199925 398246659 /nfs/dbraw/zinc/24/66/59/398246659.db2.gz NZHCNWFWAOLQFU-RGOKHQFPSA-N 1 0 201.335 1.241 10 0 BDAERO Cc1cc2c(n1CCC(N)=O)CCC[C@H]2[NH3+] ZINC000041730837 178292925 /nfs/dbraw/zinc/29/29/25/178292925.db2.gz WKXPTTZCMGRXQE-SNVBAGLBSA-N 1 0 221.304 1.008 10 0 BDAERO Cc1cc2c(n1CCC(N)=O)CCC[C@@H]2[NH3+] ZINC000041730832 178293523 /nfs/dbraw/zinc/29/35/23/178293523.db2.gz WKXPTTZCMGRXQE-JTQLQIEISA-N 1 0 221.304 1.008 10 0 BDAERO C[C@H]1CC[C@@H](O)CN1Cc1nccs1 ZINC000306773369 259310167 /nfs/dbraw/zinc/31/01/67/259310167.db2.gz INZBZDZBXPBZTM-DTWKUNHWSA-N 1 0 212.318 1.488 10 0 BDAERO C[C@H]1CC[C@H](O)CN1Cc1nccs1 ZINC000306773370 259310210 /nfs/dbraw/zinc/31/02/10/259310210.db2.gz INZBZDZBXPBZTM-IUCAKERBSA-N 1 0 212.318 1.488 10 0 BDAERO OC[C@@H]1C[N@H+](CC/C=C/c2ccccc2)CCO1 ZINC000323024869 259309621 /nfs/dbraw/zinc/30/96/21/259309621.db2.gz ABQKTLFHIIASSC-LWUPOJRFSA-N 1 0 247.338 1.783 10 0 BDAERO CC1CC(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000381484287 398253711 /nfs/dbraw/zinc/25/37/11/398253711.db2.gz UPGDCRZAQDHSPZ-DJRKXVOMSA-N 1 0 210.321 1.276 10 0 BDAERO [NH3+][C@H]1CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000381611508 398253861 /nfs/dbraw/zinc/25/38/61/398253861.db2.gz ISURXSGUBWHHEO-UWVGGRQHSA-N 1 0 218.291 1.845 10 0 BDAERO Cc1ccc(-c2nc(C[C@@H](C)[NH3+])no2)cc1 ZINC000054161353 178336034 /nfs/dbraw/zinc/33/60/34/178336034.db2.gz PNBFVSMFZKRBGR-SECBINFHSA-N 1 0 217.272 1.935 10 0 BDAERO Cc1ccc(-c2nnco2)cc1NC(=O)[C@@H](C)[NH3+] ZINC000037025744 178342579 /nfs/dbraw/zinc/34/25/79/178342579.db2.gz GRMAGHWGXNDGAU-MRVPVSSYSA-N 1 0 246.270 1.331 10 0 BDAERO CCC[C@@H](C[NH2+][C@@H]1CCCN(CC)C1)OC ZINC000386006075 398263212 /nfs/dbraw/zinc/26/32/12/398263212.db2.gz LPQUKBBERZZFPP-OLZOCXBDSA-N 1 0 228.380 1.875 10 0 BDAERO CC(C)NC(=O)NC[C@@H]([NH3+])C(C)(C)C ZINC000324591509 538950866 /nfs/dbraw/zinc/95/08/66/538950866.db2.gz IRZJNQYEXDQKQP-MRVPVSSYSA-N 1 0 201.314 1.067 10 0 BDAERO CCC(=O)C(C(=O)CC)[C@@H]1CCCC[NH2+]1 ZINC000230798245 538951262 /nfs/dbraw/zinc/95/12/62/538951262.db2.gz RDHOMWRYSJTWJK-VIFPVBQESA-N 1 0 211.305 1.703 10 0 BDAERO Cc1ccc(C(N)=[NH2+])c(NC(C)(C)C)n1 ZINC000050891578 178368685 /nfs/dbraw/zinc/36/86/85/178368685.db2.gz MYRWLIOVNGIPMJ-UHFFFAOYSA-N 1 0 206.293 1.884 10 0 BDAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cscc1Cl ZINC000381583743 398264894 /nfs/dbraw/zinc/26/48/94/398264894.db2.gz GLDTWWPVILPBLV-XCBNKYQSSA-N 1 0 246.763 1.071 10 0 BDAERO Cc1ccc(C(=O)CN2CC[C@H]([NH3+])C2)cc1 ZINC000050242343 178372827 /nfs/dbraw/zinc/37/28/27/178372827.db2.gz YNZGSYXDXBLSEB-LBPRGKRZSA-N 1 0 218.300 1.211 10 0 BDAERO CCC(CC)[N@H+](CCOC)C[C@H](C)C(=O)OC ZINC000042680310 168374174 /nfs/dbraw/zinc/37/41/74/168374174.db2.gz YCDBRCKCXZFBNW-NSHDSACASA-N 1 0 245.363 1.933 10 0 BDAERO Cc1ccc(C(=O)CN2CCC[NH2+]CC2)cc1C ZINC000041298057 178373329 /nfs/dbraw/zinc/37/33/29/178373329.db2.gz FNZGNWSLOSKRIE-UHFFFAOYSA-N 1 0 246.354 1.781 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)c1cc(C)ns1 ZINC000404454339 538955778 /nfs/dbraw/zinc/95/57/78/538955778.db2.gz IOEMQOPNWAFHAX-VXNVDRBHSA-N 1 0 200.307 1.470 10 0 BDAERO c1nc2cc(NC3=[NH+]CCN3)ccc2s1 ZINC000000006986 342669749 /nfs/dbraw/zinc/66/97/49/342669749.db2.gz OTNPTZUTWWSCMJ-UHFFFAOYSA-N 1 0 218.285 1.667 10 0 BDAERO C/C(=C/Cl)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000379300553 342700513 /nfs/dbraw/zinc/70/05/13/342700513.db2.gz NLTXUQSGVBPLME-VCNAMUQVSA-N 1 0 202.729 1.941 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cncnc1 ZINC000182075607 538961925 /nfs/dbraw/zinc/96/19/25/538961925.db2.gz MJCAXASPQAEEOK-ZIAGYGMSSA-N 1 0 246.358 1.535 10 0 BDAERO CC[C@@H]1OCC[C@H]1[C@H]([NH3+])c1ccsn1 ZINC000306649518 361844294 /nfs/dbraw/zinc/84/42/94/361844294.db2.gz QLQOZQOLNCKBSQ-JEZHCXPESA-N 1 0 212.318 1.958 10 0 BDAERO OCC[NH2+]CCOc1cccc2ccc(F)cc21 ZINC000144554970 342746681 /nfs/dbraw/zinc/74/66/81/342746681.db2.gz XNECXWVOZIWSMD-UHFFFAOYSA-N 1 0 249.285 1.940 10 0 BDAERO [NH3+][C@@H]1CCCCN(Cc2ccccc2)C1=O ZINC000002575716 342725330 /nfs/dbraw/zinc/72/53/30/342725330.db2.gz WUBFFASJCUPUCX-GFCCVEGCSA-N 1 0 218.300 1.526 10 0 BDAERO [NH3+]CC(=O)Cc1ccc(Br)o1 ZINC000306657957 361867851 /nfs/dbraw/zinc/86/78/51/361867851.db2.gz KJEHANAJPUICPC-UHFFFAOYSA-N 1 0 218.050 1.112 10 0 BDAERO CCC(CC)NC(=O)[C@H]1CCC[C@H](C)[NH2+]1 ZINC000019432813 168384089 /nfs/dbraw/zinc/38/40/89/168384089.db2.gz CCVBMAMWBBDXHC-GXSJLCMTSA-N 1 0 212.337 1.822 10 0 BDAERO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)[C@@H]1CCCO1 ZINC000183117563 538965664 /nfs/dbraw/zinc/96/56/64/538965664.db2.gz IQUSPULOSGQQEZ-PWSUYJOCSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@H]1C(=O)NCCCN1Cc1cccs1 ZINC000189106853 346859619 /nfs/dbraw/zinc/85/96/19/346859619.db2.gz LXTLJUXYQZOOAE-VIFPVBQESA-N 1 0 224.329 1.459 10 0 BDAERO Cn1ccnc1S[C@@H]1CCC[C@@H]1C[NH3+] ZINC000035722650 342758361 /nfs/dbraw/zinc/75/83/61/342758361.db2.gz CIJIFUKDUDQHPZ-RKDXNWHRSA-N 1 0 211.334 1.640 10 0 BDAERO Cc1sc(=O)n(C[C@@H]2CC[NH2+]C2)c1C ZINC000070915183 361881525 /nfs/dbraw/zinc/88/15/25/361881525.db2.gz FZZXFEJQBLGSAS-SECBINFHSA-N 1 0 212.318 1.136 10 0 BDAERO OCCN1CCC[C@H]([NH2+]Cc2cccs2)C1 ZINC000309658468 342776995 /nfs/dbraw/zinc/77/69/95/342776995.db2.gz XCEGDPAHYXBSGC-NSHDSACASA-N 1 0 240.372 1.294 10 0 BDAERO COc1cc(C(N)=[NH2+])nn1Cc1ccccc1F ZINC000147991010 342785042 /nfs/dbraw/zinc/78/50/42/342785042.db2.gz TUUREKGZPYNIPY-UHFFFAOYSA-N 1 0 248.261 1.363 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]CCC(N)=O)cc1C ZINC000036746904 398287543 /nfs/dbraw/zinc/28/75/43/398287543.db2.gz USIBQRATRZSYHY-NSHDSACASA-N 1 0 220.316 1.829 10 0 BDAERO COC(=O)/C=C/c1nccc(Cl)c1CC[NH3+] ZINC000149205837 342793440 /nfs/dbraw/zinc/79/34/40/342793440.db2.gz YZAXDHWRAIARKF-NSCUHMNNSA-N 1 0 240.690 1.422 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]CCC(N)=O)c(C)c1 ZINC000036746965 398287564 /nfs/dbraw/zinc/28/75/64/398287564.db2.gz HDFJUGKNFSAVLN-NSHDSACASA-N 1 0 220.316 1.829 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2CCC[C@@H](C)C2)C1 ZINC000040637305 538972405 /nfs/dbraw/zinc/97/24/05/538972405.db2.gz XWPOULQUVAQEGF-WOPDTQHZSA-N 1 0 212.337 1.095 10 0 BDAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2C[C@H]2CO)o1 ZINC000378802342 538974466 /nfs/dbraw/zinc/97/44/66/538974466.db2.gz UXBHIKNFZRWTPQ-RBLKWDMZSA-N 1 0 221.300 1.873 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000187178838 538975984 /nfs/dbraw/zinc/97/59/84/538975984.db2.gz YLWRJCYFVZNNGS-DGCLKSJQSA-N 1 0 237.347 1.840 10 0 BDAERO C[NH2+][C@@]1(c2nc(C)c(C)s2)CCOC1 ZINC000070993123 361925452 /nfs/dbraw/zinc/92/54/52/361925452.db2.gz VZLNUBBLBFIGLZ-JTQLQIEISA-N 1 0 212.318 1.595 10 0 BDAERO [NH3+][C@@]1(c2nc3c(s2)CCC3)CCOC1 ZINC000070993105 361925500 /nfs/dbraw/zinc/92/55/00/361925500.db2.gz LWRHFMHZTOCVTG-JTQLQIEISA-N 1 0 210.302 1.206 10 0 BDAERO C[C@@H]1CC[C@H]([C@@H]2[NH2+]CC[C@@H](C)S2)O1 ZINC000227095213 342829365 /nfs/dbraw/zinc/82/93/65/342829365.db2.gz FIWRMMVONAPWPW-ZYUZMQFOSA-N 1 0 201.335 1.995 10 0 BDAERO CC[NH2+][C@]1(c2nc(C)cs2)CCOC1 ZINC000070993148 361925849 /nfs/dbraw/zinc/92/58/49/361925849.db2.gz JSDFZKOHVMYHQH-SNVBAGLBSA-N 1 0 212.318 1.677 10 0 BDAERO CCC[C@@H](C)C(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000380969208 538994274 /nfs/dbraw/zinc/99/42/74/538994274.db2.gz FBHGXNBGPWVSBO-NEPJUHHUSA-N 1 0 226.364 1.929 10 0 BDAERO COCC[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000045035292 538990834 /nfs/dbraw/zinc/99/08/34/538990834.db2.gz LSENFSVIIJITSL-AXFHLTTASA-N 1 0 201.310 1.305 10 0 BDAERO CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)C(C)(C)C ZINC000379955557 538982807 /nfs/dbraw/zinc/98/28/07/538982807.db2.gz VIEOQJKUCFJLMT-UWVGGRQHSA-N 1 0 235.393 1.834 10 0 BDAERO Cc1nnc2n1C[C@@H]([NH2+]C1CC(C)C1)CC2 ZINC000381462910 539001265 /nfs/dbraw/zinc/00/12/65/539001265.db2.gz KETXCPDOKICOFD-JZQLECPJSA-N 1 0 220.320 1.289 10 0 BDAERO COC[C@H](C)[NH2+][C@H]1CCCN(C(C)C)C1=O ZINC000381476329 539001471 /nfs/dbraw/zinc/00/14/71/539001471.db2.gz QWBKSYIRSPPILC-QWRGUYRKSA-N 1 0 228.336 1.010 10 0 BDAERO COCc1nc(C[NH2+]C(C)(C)CCO)cs1 ZINC000164847702 342837388 /nfs/dbraw/zinc/83/73/88/342837388.db2.gz YPDNBRMAHXYEJO-UHFFFAOYSA-N 1 0 244.360 1.540 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2ccon2)C1 ZINC000381250236 538997411 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/nfs/dbraw/zinc/32/65/85/398326585.db2.gz RXHVSNDEQJUHRJ-BDAKNGLRSA-N 1 0 200.351 1.174 10 0 BDAERO CSC[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000153933639 346884344 /nfs/dbraw/zinc/88/43/44/346884344.db2.gz UUWHMCHCSKUDSA-UWVGGRQHSA-N 1 0 245.392 1.083 10 0 BDAERO c1ccc(COCOC2CC[NH2+]CC2)cc1 ZINC000143260352 398330473 /nfs/dbraw/zinc/33/04/73/398330473.db2.gz OYLXUDKUPHJPPQ-UHFFFAOYSA-N 1 0 221.300 1.929 10 0 BDAERO CCn1cc(NC(=O)C2CCC([NH3+])CC2)cn1 ZINC000037626264 398333281 /nfs/dbraw/zinc/33/32/81/398333281.db2.gz HENJZUKALPCZCY-UHFFFAOYSA-N 1 0 236.319 1.359 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccccn1 ZINC000175346723 346894053 /nfs/dbraw/zinc/89/40/53/346894053.db2.gz RQUVBXIJDKKMPB-CQSZACIVSA-N 1 0 233.359 1.998 10 0 BDAERO Cc1cnccc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000335597183 398341750 /nfs/dbraw/zinc/34/17/50/398341750.db2.gz NPJJNASVCPVHHR-WCQYABFASA-N 1 0 247.342 1.394 10 0 BDAERO C[NH2+][C@]1(c2nc(C)cs2)CCN(C)C1 ZINC000061991813 398345266 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/nfs/dbraw/zinc/92/09/05/346920905.db2.gz LJKSEWXFICICFM-CYBMUJFWSA-N 1 0 247.342 1.638 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccon1 ZINC000176978429 346920197 /nfs/dbraw/zinc/92/01/97/346920197.db2.gz VNUZCNVKHKBZER-JTQLQIEISA-N 1 0 237.303 1.231 10 0 BDAERO c1cc2c(ncc3ncn([C@@H]4CCC[NH2+]C4)c32)[nH]1 ZINC000118513027 343048786 /nfs/dbraw/zinc/04/87/86/343048786.db2.gz MIBDASHDQINVBI-SECBINFHSA-N 1 0 241.298 1.837 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC000235634207 343054844 /nfs/dbraw/zinc/05/48/44/343054844.db2.gz DQZYYVMUWOMQSX-GXSJLCMTSA-N 1 0 234.299 1.120 10 0 BDAERO C[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1[NH3+] ZINC000235688632 343055336 /nfs/dbraw/zinc/05/53/36/343055336.db2.gz ZWGOPRZKXZETLH-GXSJLCMTSA-N 1 0 243.310 1.587 10 0 BDAERO COC(=O)C[C@@H]([NH3+])c1cc(C)cc(C)c1 ZINC000043392807 343062733 /nfs/dbraw/zinc/06/27/33/343062733.db2.gz MBBNKRCFVWUXSW-LLVKDONJSA-N 1 0 207.273 1.866 10 0 BDAERO CCN1CC[NH2+]C[C@H]1c1ccc(CO)cc1 ZINC000139872441 343067788 /nfs/dbraw/zinc/06/77/88/343067788.db2.gz LIUAOVCRRLEOFF-ZDUSSCGKSA-N 1 0 220.316 1.145 10 0 BDAERO FC1(F)[C@@H]2C[NH2+]C[C@@]2(Cl)C1(F)F ZINC000584883265 343085894 /nfs/dbraw/zinc/08/58/94/343085894.db2.gz PARHJRQLCVJPPY-DMTCNVIQSA-N 1 0 203.566 1.468 10 0 BDAERO CC[C@@](O)(C[C@@H](O)C[NH2+]C(C)C)C(C)(C)C ZINC000584883295 343086190 /nfs/dbraw/zinc/08/61/90/343086190.db2.gz LCSSXVFSINHPQA-DGCLKSJQSA-N 1 0 231.380 1.923 10 0 BDAERO CC[NH2+]C[C@H](O)C[C@](C)(O)[C@@H](C)CC ZINC000584883523 343086620 /nfs/dbraw/zinc/08/66/20/343086620.db2.gz ROGLKGZOQWUQFH-AXFHLTTASA-N 1 0 203.326 1.144 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)C[C@](C)(O)C(C)C ZINC000584883521 343086651 /nfs/dbraw/zinc/08/66/51/343086651.db2.gz RNUAODFHSKYPLB-QWRGUYRKSA-N 1 0 203.326 1.142 10 0 BDAERO C[C@H]([NH3+])[C@H](CC(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000584883533 343086696 /nfs/dbraw/zinc/08/66/96/343086696.db2.gz RPEKBDXMQVQZEK-GARJFASQSA-N 1 0 243.347 1.861 10 0 BDAERO CN1CCc2ccsc2[C@]12CC[NH2+]C2 ZINC000584883907 343087326 /nfs/dbraw/zinc/08/73/26/343087326.db2.gz WUWNMZSGOGKYLR-LLVKDONJSA-N 1 0 208.330 1.425 10 0 BDAERO CO[C@@H]1Cc2ccccc2C2(CC[NH2+]CC2)O1 ZINC000013472038 343089536 /nfs/dbraw/zinc/08/95/36/343089536.db2.gz JMBARNSCCYBYAU-ZDUSSCGKSA-N 1 0 233.311 1.811 10 0 BDAERO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000217361104 343077577 /nfs/dbraw/zinc/07/75/77/343077577.db2.gz ODRYACQDLHUOOW-UQPYNNQESA-N 1 0 208.305 1.043 10 0 BDAERO Nc1cnccc1S[C@H]1CCC[NH2+]C1 ZINC000043501742 343099260 /nfs/dbraw/zinc/09/92/60/343099260.db2.gz UTPNGRASTGXHQH-QMMMGPOBSA-N 1 0 209.318 1.508 10 0 BDAERO CCOC(OCC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000043504144 343100276 /nfs/dbraw/zinc/10/02/76/343100276.db2.gz CTTINDYQYDXBIY-NSHDSACASA-N 1 0 243.347 1.829 10 0 BDAERO [NH3+]CCc1cc(-c2ccc(F)cn2)no1 ZINC000142922933 343114085 /nfs/dbraw/zinc/11/40/85/343114085.db2.gz NNHZOUZQHWXVMS-UHFFFAOYSA-N 1 0 207.208 1.377 10 0 BDAERO COc1ccc(N)cc1CN1CC[NH+](C)CC1 ZINC000036722215 343143518 /nfs/dbraw/zinc/14/35/18/343143518.db2.gz QYXXEMDMKGKVIR-UHFFFAOYSA-N 1 0 235.331 1.025 10 0 BDAERO C[C@@H]1CN(c2ncnc3c2CCC3)CC[C@@H]1[NH3+] ZINC000094342716 343156209 /nfs/dbraw/zinc/15/62/09/343156209.db2.gz KTUKBPQIPKWCRS-KOLCDFICSA-N 1 0 232.331 1.139 10 0 BDAERO CS[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000122306674 343158778 /nfs/dbraw/zinc/15/87/78/343158778.db2.gz QHMPHZREEMVTQI-ZJUUUORDSA-N 1 0 230.377 1.244 10 0 BDAERO C[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CCS1 ZINC000123375079 343162236 /nfs/dbraw/zinc/16/22/36/343162236.db2.gz QOXXCIWRJNFVQN-WDEREUQCSA-N 1 0 242.388 1.340 10 0 BDAERO C[C@H]1CC[C@@H]([N@@H+]2CCN(C(=O)C3CC3)C2)C1 ZINC000335189209 343217481 /nfs/dbraw/zinc/21/74/81/343217481.db2.gz GSRNSXWCOHSDEF-CMPLNLGQSA-N 1 0 222.332 1.687 10 0 BDAERO Cc1nn(C)c(C)c1CNC[C@H]1CCC[NH2+]C1 ZINC000132283187 343187503 /nfs/dbraw/zinc/18/75/03/343187503.db2.gz MUSJDULZOLIIDQ-LBPRGKRZSA-N 1 0 236.363 1.126 10 0 BDAERO Cc1nn(C)c(C)c1CNC[C@@H]1CCC[NH2+]C1 ZINC000132282983 343187566 /nfs/dbraw/zinc/18/75/66/343187566.db2.gz MUSJDULZOLIIDQ-GFCCVEGCSA-N 1 0 236.363 1.126 10 0 BDAERO CC(C)[C@@H](C[NH3+])CCC(=O)NC(C)(C)C ZINC000076608444 167397552 /nfs/dbraw/zinc/39/75/52/167397552.db2.gz DNDJSXZBODHEJO-SNVBAGLBSA-N 1 0 214.353 1.912 10 0 BDAERO COCC[C@H](C[NH3+])c1cnc(C(F)(F)F)nc1 ZINC000217381013 343276900 /nfs/dbraw/zinc/27/69/00/343276900.db2.gz UTVLEAIPENQGAA-SSDOTTSWSA-N 1 0 249.236 1.574 10 0 BDAERO CC(C)[C@@H](C)[NH2+]Cc1cnc2ccnn2c1 ZINC000309338216 343291850 /nfs/dbraw/zinc/29/18/50/343291850.db2.gz JNGXBAZOIHSDFA-SNVBAGLBSA-N 1 0 218.304 1.863 10 0 BDAERO Cc1cnc(C)c(NC[C@H]([NH3+])C(C)C)n1 ZINC000070010817 343297035 /nfs/dbraw/zinc/29/70/35/343297035.db2.gz BZIMNSIHHOEZSY-JTQLQIEISA-N 1 0 208.309 1.489 10 0 BDAERO CCNC(=O)[C@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC000146476812 343298601 /nfs/dbraw/zinc/29/86/01/343298601.db2.gz KIKGZEXQTIARJU-HNNXBMFYSA-N 1 0 246.354 1.735 10 0 BDAERO CCCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000070256815 343317121 /nfs/dbraw/zinc/31/71/21/343317121.db2.gz RIAGVNJYJZZOBG-LLVKDONJSA-N 1 0 214.353 1.879 10 0 BDAERO Cc1n[nH]c(C)c1CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000335673343 136317326 /nfs/dbraw/zinc/31/73/26/136317326.db2.gz BRMKOJWVUYASQU-NOZJJQNGSA-N 1 0 236.363 1.408 10 0 BDAERO COCc1[nH+]c2cc(N)cc3c2n1CCN3 ZINC000039124229 343385925 /nfs/dbraw/zinc/38/59/25/343385925.db2.gz HHOKXKCCJGNZOZ-UHFFFAOYSA-N 1 0 218.260 1.190 10 0 BDAERO Cc1ccc(CC2(O)CC[NH2+]CC2)cc1 ZINC000038996981 178523669 /nfs/dbraw/zinc/52/36/69/178523669.db2.gz DGNFSJPAWJLVOH-UHFFFAOYSA-N 1 0 205.301 1.652 10 0 BDAERO Fc1cc2c(cc1F)[C@@H]1C[NH2+]CCN1CC2 ZINC000040443200 343403600 /nfs/dbraw/zinc/40/36/00/343403600.db2.gz UAXIRPAQLMNUHQ-LBPRGKRZSA-N 1 0 224.254 1.467 10 0 BDAERO Cc1ccc(N[C@H]2CCCC[C@H]2[NH3+])nn1 ZINC000041045215 343413423 /nfs/dbraw/zinc/41/34/23/343413423.db2.gz PVHRKWHMCYONPU-ZJUUUORDSA-N 1 0 206.293 1.467 10 0 BDAERO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1nccs1 ZINC000151924989 343445849 /nfs/dbraw/zinc/44/58/49/343445849.db2.gz ADKNZIIXEHCGNT-HTQZYQBOSA-N 1 0 225.317 1.233 10 0 BDAERO CCONC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000166531025 136357824 /nfs/dbraw/zinc/35/78/24/136357824.db2.gz CYUYMPQCYFSUJE-WDEREUQCSA-N 1 0 241.335 1.206 10 0 BDAERO CC[C@@H]([NH3+])CNc1nc2ccccc2[nH]1 ZINC000082579269 343452607 /nfs/dbraw/zinc/45/26/07/343452607.db2.gz KWXDNZKWPGXAGJ-MRVPVSSYSA-N 1 0 204.277 1.712 10 0 BDAERO Cc1nccc(CN[C@H](C)CC[NH+](C)C)n1 ZINC000054790852 136372985 /nfs/dbraw/zinc/37/29/85/136372985.db2.gz MAQYXAWAYKWXCQ-SNVBAGLBSA-N 1 0 222.336 1.215 10 0 BDAERO Cc1n[nH]cc1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000080041014 136375026 /nfs/dbraw/zinc/37/50/26/136375026.db2.gz UGKMXAOZWRECPL-QMMMGPOBSA-N 1 0 244.298 1.990 10 0 BDAERO Cc1cnc(SC[C@H]2CCC[NH2+]2)nc1 ZINC000043497604 343475709 /nfs/dbraw/zinc/47/57/09/343475709.db2.gz QXMNZYKTKWVHNW-SECBINFHSA-N 1 0 209.318 1.629 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000044135915 343492579 /nfs/dbraw/zinc/49/25/79/343492579.db2.gz VYUIWLMJPDHWQQ-NWDGAFQWSA-N 1 0 219.284 1.553 10 0 BDAERO CCc1nsc(NC[C@@H](C)C[NH3+])n1 ZINC000083675933 343495609 /nfs/dbraw/zinc/49/56/09/343495609.db2.gz WICNARNLUHRRNA-LURJTMIESA-N 1 0 200.311 1.107 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(OC(F)(F)F)cc1 ZINC000044232898 343495973 /nfs/dbraw/zinc/49/59/73/343495973.db2.gz AATVZGIQHXMRID-SECBINFHSA-N 1 0 235.205 1.967 10 0 BDAERO O=C(C1CC[NH2+]CC1)N1CCC[C@@H]1C1CC1 ZINC000083936378 343507474 /nfs/dbraw/zinc/50/74/74/343507474.db2.gz NNIIRHDTWLQDND-GFCCVEGCSA-N 1 0 222.332 1.387 10 0 BDAERO CC(C)(C)[C@H]1CCOCCN1CC[NH3+] ZINC000616597572 343518896 /nfs/dbraw/zinc/51/88/96/343518896.db2.gz BMZGEQXZDKWHNM-SNVBAGLBSA-N 1 0 200.326 1.082 10 0 BDAERO COC(=O)[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000310533507 343528001 /nfs/dbraw/zinc/52/80/01/343528001.db2.gz QNBWSYUBGVYQKM-TUAOUCFPSA-N 1 0 241.331 1.032 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1ccccn1 ZINC000616638389 343528923 /nfs/dbraw/zinc/52/89/23/343528923.db2.gz YPBRWHMGPYGTTK-GFCCVEGCSA-N 1 0 219.332 1.826 10 0 BDAERO c1cc2ccnnc2c([C@H]2COCC[NH2+]2)c1 ZINC000616639284 343529397 /nfs/dbraw/zinc/52/93/97/343529397.db2.gz SAIHJJHCSYBVPI-LLVKDONJSA-N 1 0 215.256 1.291 10 0 BDAERO [NH3+][C@@H](CO)Cc1cc(Br)ccc1F ZINC000044464176 343501849 /nfs/dbraw/zinc/50/18/49/343501849.db2.gz DAQSBVNCJRPPAZ-MRVPVSSYSA-N 1 0 248.095 1.450 10 0 BDAERO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624235319 343574905 /nfs/dbraw/zinc/57/49/05/343574905.db2.gz IKPUAOUZWAYGJQ-DCAQKATOSA-N 1 0 241.356 1.857 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)[C@@H]1C[C@H]1C ZINC000624240055 343586500 /nfs/dbraw/zinc/58/65/00/343586500.db2.gz ZYLBTQBQWPYGJU-ZIQFBCGOSA-N 1 0 213.321 1.160 10 0 BDAERO CC1(C)CC[N@@H+]([C@@H]2CCC[C@H]2O)CC[S@]1=O ZINC000321868590 343620640 /nfs/dbraw/zinc/62/06/40/343620640.db2.gz OCDWNWVETSKBNF-GLKRBJQHSA-N 1 0 245.388 1.133 10 0 BDAERO COCCOC[C@H]1[NH2+]CCc2ccsc21 ZINC000712545378 537792114 /nfs/dbraw/zinc/79/21/14/537792114.db2.gz QOKMESCUFSJZPA-SNVBAGLBSA-N 1 0 227.329 1.598 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227572972 537794215 /nfs/dbraw/zinc/79/42/15/537794215.db2.gz HLJLVLUVXGXFPF-HBNTYKKESA-N 1 0 212.337 1.666 10 0 BDAERO CC[C@@H]([NH3+])C(=O)N[C@H](CC)c1ccccc1 ZINC000051628608 343627337 /nfs/dbraw/zinc/62/73/37/343627337.db2.gz CKJBSQCKHBRRHZ-VXGBXAGGSA-N 1 0 220.316 1.991 10 0 BDAERO C[C@@H]1C[C@]2(CO1)[NH2+]CCc1ccsc12 ZINC000712581061 537794421 /nfs/dbraw/zinc/79/44/21/537794421.db2.gz BZASNTHSSOFQEC-LDYMZIIASA-N 1 0 209.314 1.898 10 0 BDAERO C[C@@H]1[C@H]([NH3+])c2cccc(Cl)c2[S@@]1=O ZINC000043636822 343633592 /nfs/dbraw/zinc/63/35/92/343633592.db2.gz FORDUYOSLMRTFO-ZOTIAXOTSA-N 1 0 215.705 1.850 10 0 BDAERO C[C@@H]1C[C@@H]1c1cc2n(n1)[C@H](C[NH3+])CCN2 ZINC000300029887 537802152 /nfs/dbraw/zinc/80/21/52/537802152.db2.gz PMVZXRKKIFPFDS-VGMNWLOBSA-N 1 0 206.293 1.322 10 0 BDAERO FC(F)[C@@H]1CC[NH+]=C2N[C@@H]3CCCC[C@H]3N21 ZINC000300015346 537802540 /nfs/dbraw/zinc/80/25/40/537802540.db2.gz HLSQARBKHPTUTI-HLTSFMKQSA-N 1 0 229.274 1.596 10 0 BDAERO CSC1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000083945407 343687438 /nfs/dbraw/zinc/68/74/38/343687438.db2.gz VSFOCTMDNPSSCY-JTQLQIEISA-N 1 0 242.388 1.340 10 0 BDAERO CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2O)o1 ZINC000311742775 343742398 /nfs/dbraw/zinc/74/23/98/343742398.db2.gz HBHHOIPVEGSMFQ-GHMZBOCLSA-N 1 0 238.331 1.939 10 0 BDAERO CC(C)(C)[Si](C)(C)O[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC000206909146 343713644 /nfs/dbraw/zinc/71/36/44/343713644.db2.gz VOCHBRBZIVMCNX-UWVGGRQHSA-N 1 0 231.412 1.731 10 0 BDAERO CSc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000309075981 349855160 /nfs/dbraw/zinc/85/51/60/349855160.db2.gz KJYAADJABMGWBB-CMPLNLGQSA-N 1 0 223.341 1.879 10 0 BDAERO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2CO)CS1 ZINC000309081868 349856638 /nfs/dbraw/zinc/85/66/38/349856638.db2.gz QWMRYYHSOQSTLM-MMWGEVLESA-N 1 0 229.389 1.877 10 0 BDAERO CCOc1cccc2c1CCN2C(=O)C[NH2+]C ZINC000409427982 343802017 /nfs/dbraw/zinc/80/20/17/343802017.db2.gz LLTBMVHKVOITNR-UHFFFAOYSA-N 1 0 234.299 1.194 10 0 BDAERO O=C(CN1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000050145307 343782899 /nfs/dbraw/zinc/78/28/99/343782899.db2.gz FDMVIOYRDQIFOZ-UHFFFAOYSA-N 1 0 240.253 1.053 10 0 BDAERO CC(C)n1nc2c(c1CC[NH3+])COCC2 ZINC000107299948 343785533 /nfs/dbraw/zinc/78/55/33/343785533.db2.gz YTHAUBMZJBEMJD-UHFFFAOYSA-N 1 0 209.293 1.038 10 0 BDAERO C[NH2+][C@H]1CCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000109495202 343786133 /nfs/dbraw/zinc/78/61/33/343786133.db2.gz VPQGSNGBUCBCQT-QWRGUYRKSA-N 1 0 244.298 1.987 10 0 BDAERO Cc1nc(N2CCc3sccc3C2)cc(N)[nH+]1 ZINC000128044789 343787863 /nfs/dbraw/zinc/78/78/63/343787863.db2.gz ZOAWWDMNEGRCEL-UHFFFAOYSA-N 1 0 246.339 1.991 10 0 BDAERO Cc1nc(NCCc2cccnc2)cc(N)[nH+]1 ZINC000129934715 343788070 /nfs/dbraw/zinc/78/80/70/343788070.db2.gz LXTJLAUTLDRFSL-UHFFFAOYSA-N 1 0 229.287 1.417 10 0 BDAERO C1CCC(c2nc([C@@H]3CC[NH2+]C3)no2)C1 ZINC000214834249 343792291 /nfs/dbraw/zinc/79/22/91/343792291.db2.gz ZVENUPUSKPFFBG-SECBINFHSA-N 1 0 207.277 1.804 10 0 BDAERO C(c1noc(C2CCCCC2)n1)C1C[NH2+]C1 ZINC000215897927 343792414 /nfs/dbraw/zinc/79/24/14/343792414.db2.gz LPVWGUTZCXMJCD-UHFFFAOYSA-N 1 0 221.304 1.879 10 0 BDAERO [NH3+]CCNc1nccc(NC2CCCCC2)n1 ZINC000226084048 343793226 /nfs/dbraw/zinc/79/32/26/343793226.db2.gz MECUGYFVLBTSOM-UHFFFAOYSA-N 1 0 235.335 1.592 10 0 BDAERO CC(C)C[N@@H+]1CCC[C@@H]1Cn1cc(C=O)nn1 ZINC000409427634 343801570 /nfs/dbraw/zinc/80/15/70/343801570.db2.gz WTOHPBZDVJPESH-GFCCVEGCSA-N 1 0 236.319 1.211 10 0 BDAERO O=c1c2sccc2ncn1C1CC[NH2+]CC1 ZINC000409422499 343814015 /nfs/dbraw/zinc/81/40/15/343814015.db2.gz HDCRATNTZWKZJF-UHFFFAOYSA-N 1 0 235.312 1.383 10 0 BDAERO Cc1nc([C@H]2C[NH2+]C[C@H]2c2cccnc2)no1 ZINC000409423313 343815394 /nfs/dbraw/zinc/81/53/94/343815394.db2.gz NJCSECPFXCPNAB-QWRGUYRKSA-N 1 0 230.271 1.244 10 0 BDAERO Cc1ccc(Cn2cc(C[NH3+])nn2)s1 ZINC000409423332 343815441 /nfs/dbraw/zinc/81/54/41/343815441.db2.gz NKJBQNKOEZTUEV-UHFFFAOYSA-N 1 0 208.290 1.155 10 0 BDAERO O=C(C1CC[NH2+]CC1)N1CCC(CF)CC1 ZINC000409423968 343816875 /nfs/dbraw/zinc/81/68/75/343816875.db2.gz AWYIGBFCEHSLRJ-UHFFFAOYSA-N 1 0 228.311 1.194 10 0 BDAERO [NH3+]CCc1nc(-c2cc(C3CC3)on2)no1 ZINC000409424249 343817327 /nfs/dbraw/zinc/81/73/27/343817327.db2.gz TYCGYIOSKXXTML-UHFFFAOYSA-N 1 0 220.232 1.103 10 0 BDAERO CCOC[C@@H]1CN(C(N)=[NH2+])CC12CCCCC2 ZINC000409425526 343819677 /nfs/dbraw/zinc/81/96/77/343819677.db2.gz AMFPAMOTLZNFDC-NSHDSACASA-N 1 0 239.363 1.799 10 0 BDAERO Cc1ccc(CN2C[C@H]([NH3+])CC2=O)s1 ZINC000050225799 178589793 /nfs/dbraw/zinc/58/97/93/178589793.db2.gz RSMBJNQAEHNFPZ-MRVPVSSYSA-N 1 0 210.302 1.116 10 0 BDAERO CCOC[C@@H]1C[N@H+](CCN)CC12CCCCC2 ZINC000409425687 343820287 /nfs/dbraw/zinc/82/02/87/343820287.db2.gz BCHXTKZDPYZKPF-ZDUSSCGKSA-N 1 0 240.391 1.864 10 0 BDAERO CCOC[C@H]1CN(CC[NH3+])C[C@H]1C(F)(F)F ZINC000409425906 343820804 /nfs/dbraw/zinc/82/08/04/343820804.db2.gz BEHBLPCGCMVSIZ-RKDXNWHRSA-N 1 0 240.269 1.092 10 0 BDAERO Nc1cccnc1N(C1CC1)C1CCOCC1 ZINC000409431740 343822538 /nfs/dbraw/zinc/82/25/38/343822538.db2.gz KEOUZDONHPAFJF-UHFFFAOYSA-N 1 0 233.315 1.812 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H](C(F)F)C1 ZINC000409426393 343822661 /nfs/dbraw/zinc/82/26/61/343822661.db2.gz HYABIZFLWHGTCJ-DTWKUNHWSA-N 1 0 232.274 1.100 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N(C1CC1)[C@@H]1CCSC1 ZINC000409431769 343822957 /nfs/dbraw/zinc/82/29/57/343822957.db2.gz KJKWFVARMZAIRO-MWLCHTKSSA-N 1 0 240.372 1.092 10 0 BDAERO Cc1nc(Cl)cc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000409429721 343806181 /nfs/dbraw/zinc/80/61/81/343806181.db2.gz RZCQSCHROURYLF-ZETCQYMHSA-N 1 0 226.711 1.237 10 0 BDAERO Nc1cccnc1N1CC[C@@H](C(F)F)C1 ZINC000409430565 343808756 /nfs/dbraw/zinc/80/87/56/343808756.db2.gz QTEMAIKPRDDUJE-SSDOTTSWSA-N 1 0 213.231 1.755 10 0 BDAERO CC(C)(C)c1cn2cccc(C(N)=[NH2+])c2n1 ZINC000409440677 343852983 /nfs/dbraw/zinc/85/29/83/343852983.db2.gz MARVVJJHZNBZDS-UHFFFAOYSA-N 1 0 216.288 1.916 10 0 BDAERO O=C(C1C[NH2+]C1)N1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409433954 343831137 /nfs/dbraw/zinc/83/11/37/343831137.db2.gz ZIWQDSVHPMZSCN-SCZZXKLOSA-N 1 0 244.285 1.100 10 0 BDAERO [NH3+][C@H]1CN(Cc2ccccc2)C[C@H]1C1CC1 ZINC000409434591 343834363 /nfs/dbraw/zinc/83/43/63/343834363.db2.gz YMTFUHMWLZUZGC-KBPBESRZSA-N 1 0 216.328 1.856 10 0 BDAERO CCOC[C@@H]1C[N@H+](CCO)CC12CCCC2 ZINC000409434576 343834523 /nfs/dbraw/zinc/83/45/23/343834523.db2.gz PXOAOCZCFXNYPM-LBPRGKRZSA-N 1 0 227.348 1.507 10 0 BDAERO CCN(C(=O)CC[NH3+])C1CCSCC1 ZINC000409435890 343840593 /nfs/dbraw/zinc/84/05/93/343840593.db2.gz XDMOROOLOJOQOS-UHFFFAOYSA-N 1 0 216.350 1.079 10 0 BDAERO C[NH2+]Cc1cn(CCF)nc1C(F)(F)F ZINC000409436921 343841684 /nfs/dbraw/zinc/84/16/84/343841684.db2.gz CIRKCPHJSPUKSJ-UHFFFAOYSA-N 1 0 225.189 1.591 10 0 BDAERO CCn1cc(CC[NH2+]C)c(-c2ccncc2)n1 ZINC000409439399 343847331 /nfs/dbraw/zinc/84/73/31/343847331.db2.gz PIWUPFAMVMUPSU-UHFFFAOYSA-N 1 0 230.315 1.727 10 0 BDAERO NC(=[NH2+])Cc1cn(CCF)nc1C(F)(F)F ZINC000409439652 343847924 /nfs/dbraw/zinc/84/79/24/343847924.db2.gz QAPYCQQQOOOQRB-UHFFFAOYSA-N 1 0 238.188 1.350 10 0 BDAERO C[NH2+]Cc1c(C)[nH]nc1C1CCOCC1 ZINC000409438016 343849145 /nfs/dbraw/zinc/84/91/45/343849145.db2.gz BOSWZGQTHSPFCW-UHFFFAOYSA-N 1 0 209.293 1.332 10 0 BDAERO [NH3+]CCc1nc([C@@H](C2CC2)n2cccc2)no1 ZINC000409437921 343849196 /nfs/dbraw/zinc/84/91/96/343849196.db2.gz BIDFATBRZRSFKO-LLVKDONJSA-N 1 0 232.287 1.372 10 0 BDAERO CC(C)(C)c1cc2n(CC(N)=[NH2+])ccn2n1 ZINC000409438235 343849706 /nfs/dbraw/zinc/84/97/06/343849706.db2.gz LAPJHOUJYHLWMR-UHFFFAOYSA-N 1 0 219.292 1.369 10 0 BDAERO Nc1cc(C2CCC2)nn1C[C@@H]1CCC[NH2+]C1 ZINC000409438173 343849843 /nfs/dbraw/zinc/84/98/43/343849843.db2.gz KIRVGYLGPZGEIZ-SNVBAGLBSA-N 1 0 234.347 1.732 10 0 BDAERO [NH3+]Cc1c(-c2ccncc2)n[nH]c1C1CC1 ZINC000409438274 343850154 /nfs/dbraw/zinc/85/01/54/343850154.db2.gz CAWCMGSPJSEHRO-UHFFFAOYSA-N 1 0 214.272 1.808 10 0 BDAERO Cc1nc(C[NH3+])cc(COc2ccccc2)n1 ZINC000409440195 343851422 /nfs/dbraw/zinc/85/14/22/343851422.db2.gz WEEYKXDXZUXVAE-UHFFFAOYSA-N 1 0 229.283 1.823 10 0 BDAERO [NH3+]C[C@@H](O)c1ccc(N2CCCCCC2)o1 ZINC000409442114 343857556 /nfs/dbraw/zinc/85/75/56/343857556.db2.gz SYFLAUQCOPZXDX-SNVBAGLBSA-N 1 0 224.304 1.652 10 0 BDAERO CN(C)[C@H](C[NH3+])c1ccc(N2CCCC2)o1 ZINC000409442467 343858473 /nfs/dbraw/zinc/85/84/73/343858473.db2.gz VLQKDZZMVFZMOM-SNVBAGLBSA-N 1 0 223.320 1.441 10 0 BDAERO C[NH2+]Cc1cn(CCF)nc1-c1ccncc1 ZINC000409441403 343859049 /nfs/dbraw/zinc/85/90/49/343859049.db2.gz XMQWBVNAWYMEFZ-UHFFFAOYSA-N 1 0 234.278 1.634 10 0 BDAERO COc1ccnc(Br)c1C[NH3+] ZINC000215482423 349885476 /nfs/dbraw/zinc/88/54/76/349885476.db2.gz KEEOCIZKVBIOGV-UHFFFAOYSA-N 1 0 217.066 1.311 10 0 BDAERO CCc1[nH]nc(C(C)C)c1CCC(N)=[NH2+] ZINC000409441696 343860796 /nfs/dbraw/zinc/86/07/96/343860796.db2.gz SRSIUVBMPASONH-UHFFFAOYSA-N 1 0 208.309 1.964 10 0 BDAERO [NH3+]Cc1cc(-c2ccncc2)nn1C(F)F ZINC000409443595 343861552 /nfs/dbraw/zinc/86/15/52/343861552.db2.gz QBWXNINUMMLENO-UHFFFAOYSA-N 1 0 224.214 1.799 10 0 BDAERO CN1C(=O)[C@@H]([NH3+])C[C@H]1c1ccc(F)cc1 ZINC000409441877 343861834 /nfs/dbraw/zinc/86/18/34/343861834.db2.gz RYFGQDWZDSIGLR-UWVGGRQHSA-N 1 0 208.236 1.056 10 0 BDAERO [NH3+]Cc1cc(-c2cccnc2)nn1C(F)F ZINC000409444097 343864648 /nfs/dbraw/zinc/86/46/48/343864648.db2.gz ZXDMLCZGAKNQFW-UHFFFAOYSA-N 1 0 224.214 1.799 10 0 BDAERO [NH3+]Cc1cc(-c2cnccn2)nn1CC1CC1 ZINC000409443180 343866289 /nfs/dbraw/zinc/86/62/89/343866289.db2.gz IGSQZSRBXHBPMH-UHFFFAOYSA-N 1 0 229.287 1.209 10 0 BDAERO CC(C)n1nc(-c2cnccn2)cc1C(N)=[NH2+] ZINC000409444071 343867263 /nfs/dbraw/zinc/86/72/63/343867263.db2.gz ZORVREAGLBARCZ-UHFFFAOYSA-N 1 0 230.275 1.205 10 0 BDAERO [NH3+]CCc1cc(C(F)(F)F)nn1CC1CC1 ZINC000409443558 343867453 /nfs/dbraw/zinc/86/74/53/343867453.db2.gz POGDBOYYYOVIEQ-UHFFFAOYSA-N 1 0 233.237 1.813 10 0 BDAERO CN1CCSC[C@@H]1[C@@H]([NH3+])C1CCC1 ZINC000234313773 343940474 /nfs/dbraw/zinc/94/04/74/343940474.db2.gz UXYVDAJLMOUQBI-ZJUUUORDSA-N 1 0 200.351 1.161 10 0 BDAERO CC[C@H]([NH3+])c1noc([C@H]2CCSC2)n1 ZINC000070004662 343945931 /nfs/dbraw/zinc/94/59/31/343945931.db2.gz KKVMGJYONGUJRF-BQBZGAKWSA-N 1 0 213.306 1.700 10 0 BDAERO CC1(C)CCN(C[C@@H]2CSCC[NH2+]2)C1 ZINC000127173596 343917613 /nfs/dbraw/zinc/91/76/13/343917613.db2.gz HUQIZTNWHJADDD-SNVBAGLBSA-N 1 0 214.378 1.423 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1cc(C#N)ncn1 ZINC000393789687 343929281 /nfs/dbraw/zinc/92/92/81/343929281.db2.gz VGCXMGKXQYPDBE-SECBINFHSA-N 1 0 219.292 1.278 10 0 BDAERO CC(C)[C@H](C[NH3+])N1CCOC(C)(C)C1 ZINC000036232182 343972798 /nfs/dbraw/zinc/97/27/98/343972798.db2.gz RASWVRMZYMAGPC-JTQLQIEISA-N 1 0 200.326 1.081 10 0 BDAERO CCC[C@@H]1CC[C@@H]2[NH2+]CC[S@](=O)[C@@H]2C1 ZINC000070627473 343953448 /nfs/dbraw/zinc/95/34/48/343953448.db2.gz RFSKJZIQIMIXSE-FBKDDSFISA-N 1 0 215.362 1.676 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000092784768 343960993 /nfs/dbraw/zinc/96/09/93/343960993.db2.gz YBGBNCPALAOVNV-JTQLQIEISA-N 1 0 226.345 1.880 10 0 BDAERO COC(=O)C[C@@H]1CCC2(CC[NH2+]CC2)OC1 ZINC000393802347 343963453 /nfs/dbraw/zinc/96/34/53/343963453.db2.gz SKDQEKZNBRLGCR-JTQLQIEISA-N 1 0 227.304 1.098 10 0 BDAERO C[C@@H]1SCC[C@H]1[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000235369120 343965116 /nfs/dbraw/zinc/96/51/16/343965116.db2.gz BESFMCGULWDRIF-LPEHRKFASA-N 1 0 200.351 1.161 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)s1 ZINC000309756000 178624680 /nfs/dbraw/zinc/62/46/80/178624680.db2.gz HOFXEMMFGQEIKH-GXSJLCMTSA-N 1 0 238.356 1.813 10 0 BDAERO CCn1cc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)cn1 ZINC000634741399 344163452 /nfs/dbraw/zinc/16/34/52/344163452.db2.gz AZKPFNZJBFUJIN-GWCFXTLKSA-N 1 0 248.330 1.231 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000299926389 344166910 /nfs/dbraw/zinc/16/69/10/344166910.db2.gz MKOUVNVKRMHDPW-REWJHTLYSA-N 1 0 238.375 1.506 10 0 BDAERO CC1(C)C(=O)Nc2c1c(C[NH3+])ccc2F ZINC000616569350 344170232 /nfs/dbraw/zinc/17/02/32/344170232.db2.gz IQWALRZLHRGDKS-UHFFFAOYSA-N 1 0 208.236 1.514 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000625853443 344126164 /nfs/dbraw/zinc/12/61/64/344126164.db2.gz JGLTZPYYFBIANO-YIYPIFLZSA-N 1 0 239.359 1.791 10 0 BDAERO C/C=C\C[NH2+]C[C@H](O)COCc1ccco1 ZINC000384888963 344208838 /nfs/dbraw/zinc/20/88/38/344208838.db2.gz SUPWCHZEYPWPLX-QUCGXOGASA-N 1 0 225.288 1.323 10 0 BDAERO CSCCC[NH+]1CC(O)(C2CC2)C1 ZINC000130463174 344221941 /nfs/dbraw/zinc/22/19/41/344221941.db2.gz XAPHIPIYIDUNMY-UHFFFAOYSA-N 1 0 201.335 1.196 10 0 BDAERO CS[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616571556 344181461 /nfs/dbraw/zinc/18/14/61/344181461.db2.gz ZBNWIUQTIHVCBV-VKHMYHEASA-N 1 0 209.183 1.874 10 0 BDAERO C[C@H]([NH3+])c1cccc(CNC(=O)C2CC2)c1 ZINC000616572424 344183851 /nfs/dbraw/zinc/18/38/51/344183851.db2.gz MMKOJLGQLRILQD-VIFPVBQESA-N 1 0 218.300 1.733 10 0 BDAERO COCCC(=O)N[C@H](C)c1cccc(C[NH3+])c1 ZINC000616572345 344183869 /nfs/dbraw/zinc/18/38/69/344183869.db2.gz LFLJYHMFVMLGRG-SNVBAGLBSA-N 1 0 236.315 1.359 10 0 BDAERO O=C1CCCC[C@@H]1C[N@H+]1CCC[C@H](O)C1 ZINC000060720427 344198956 /nfs/dbraw/zinc/19/89/56/344198956.db2.gz PBUHNXUZLYNAOL-MNOVXSKESA-N 1 0 211.305 1.202 10 0 BDAERO C1CC([NH2+][C@H]2CCCN3CCSC[C@@H]23)C1 ZINC000616577861 344201276 /nfs/dbraw/zinc/20/12/76/344201276.db2.gz NBQHHXHIKAZOPC-RYUDHWBXSA-N 1 0 226.389 1.708 10 0 BDAERO CCN(CC1CC1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634752820 344205362 /nfs/dbraw/zinc/20/53/62/344205362.db2.gz SWIDGJMMUMHCDW-JSGCOSHPSA-N 1 0 236.359 1.635 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000054768055 344251558 /nfs/dbraw/zinc/25/15/58/344251558.db2.gz JNRAGBCDYSUWBL-GFCCVEGCSA-N 1 0 220.320 1.051 10 0 BDAERO C[NH+](C)CCn1cc2c(c1)C(=O)CCC2 ZINC000135393739 344254310 /nfs/dbraw/zinc/25/43/10/344254310.db2.gz CHMBHZWQBAEONE-UHFFFAOYSA-N 1 0 206.289 1.569 10 0 BDAERO Cc1cc(Br)cn(C[C@H](C)[NH3+])c1=O ZINC000222871696 344271357 /nfs/dbraw/zinc/27/13/57/344271357.db2.gz UUIZXNOKCCFHFZ-ZETCQYMHSA-N 1 0 245.120 1.266 10 0 BDAERO CCc1nc(C)cc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000384989267 344286339 /nfs/dbraw/zinc/28/63/39/344286339.db2.gz LVVVOSHHQHOYJV-UWVGGRQHSA-N 1 0 220.320 1.273 10 0 BDAERO CCN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000131660233 344319376 /nfs/dbraw/zinc/31/93/76/344319376.db2.gz GCGPKPQLRSAJRU-WDEREUQCSA-N 1 0 227.352 1.376 10 0 BDAERO CCSCC[C@H](C)N[C@@H]1CC[NH2+]C1 ZINC000133773367 344321430 /nfs/dbraw/zinc/32/14/30/344321430.db2.gz LNBGVGGYQGSZBM-VHSXEESVSA-N 1 0 202.367 1.470 10 0 BDAERO CN(CC(C)(C)C[NH3+])c1ncnc2c1CCC2 ZINC000093874546 344323889 /nfs/dbraw/zinc/32/38/89/344323889.db2.gz FQIWAUZOQIYCIU-UHFFFAOYSA-N 1 0 234.347 1.386 10 0 BDAERO COc1ncc(Cl)c(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385185386 344365934 /nfs/dbraw/zinc/36/59/34/344365934.db2.gz KODUZQWDPQXXLW-RNFRBKRXSA-N 1 0 242.710 1.065 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1ncnc2c1CCCC2 ZINC000385162509 344356710 /nfs/dbraw/zinc/35/67/10/344356710.db2.gz SGJQRDZOYWMWKG-ZJUUUORDSA-N 1 0 232.331 1.281 10 0 BDAERO Cc1cc(N2C[C@@H]([NH3+])C[C@H]2C)nc(C)n1 ZINC000385225917 344378430 /nfs/dbraw/zinc/37/84/30/344378430.db2.gz HZUQDDBODZWPOQ-SCZZXKLOSA-N 1 0 206.293 1.019 10 0 BDAERO Cc1cc(C(C)C)nc(N2C[C@H]([NH3+])C[C@@H]2C)n1 ZINC000385282217 344387181 /nfs/dbraw/zinc/38/71/81/344387181.db2.gz VXRWFCDCBXZHCH-WDEREUQCSA-N 1 0 234.347 1.834 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000380721102 344434783 /nfs/dbraw/zinc/43/47/83/344434783.db2.gz FZVKWDCAPAQLIL-GRYCIOLGSA-N 1 0 224.348 1.633 10 0 BDAERO CC(C)C[N@H+](C)[C@@H]1CC2(CC[C@@H]1O)OCCO2 ZINC000044129818 344398143 /nfs/dbraw/zinc/39/81/43/344398143.db2.gz UEYKDGAQOGWXQR-NEPJUHHUSA-N 1 0 243.347 1.231 10 0 BDAERO Cn1nc([C@H]2CCC[NH2+]C2)c2c1CCCC2 ZINC000215731369 344399324 /nfs/dbraw/zinc/39/93/24/344399324.db2.gz IWSNALTULJAEQP-JTQLQIEISA-N 1 0 219.332 1.766 10 0 BDAERO Cc1c2cc(F)ccc2[nH]c1C(=[NH2+])NO ZINC000146123739 344404951 /nfs/dbraw/zinc/40/49/51/344404951.db2.gz LOEQLFVTXIQUOW-UHFFFAOYSA-N 1 0 207.208 1.920 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cn[nH]c1 ZINC000380980553 344463947 /nfs/dbraw/zinc/46/39/47/344463947.db2.gz AXVNMINOFZICLG-GFCCVEGCSA-N 1 0 224.352 1.476 10 0 BDAERO Cc1ccc(Cn2nnnc2[C@H](C)[NH3+])cc1 ZINC000062494602 178668195 /nfs/dbraw/zinc/66/81/95/178668195.db2.gz VXDZYACBOXMLNP-VIFPVBQESA-N 1 0 217.276 1.050 10 0 BDAERO COc1cccnc1C(=O)[C@H]1CCC[NH2+]1 ZINC000234912061 344472618 /nfs/dbraw/zinc/47/26/18/344472618.db2.gz QAJHBTYRVCHSAT-MRVPVSSYSA-N 1 0 206.245 1.025 10 0 BDAERO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(N)=S)C1 ZINC000230266580 344476566 /nfs/dbraw/zinc/47/65/66/344476566.db2.gz VXEHDFANERQNEM-WCBMZHEXSA-N 1 0 216.350 1.162 10 0 BDAERO C[C@@]1(O)CCC[N@@H+]([C@@H]2CCC(=O)C2)CC1 ZINC000230359651 344538040 /nfs/dbraw/zinc/53/80/40/344538040.db2.gz NQCIJBHWTMSJMX-ZYHUDNBSSA-N 1 0 211.305 1.345 10 0 BDAERO F[C@]1([C@H]2CCCCC[NH2+]2)CCCNC1 ZINC000158093239 344542075 /nfs/dbraw/zinc/54/20/75/344542075.db2.gz MGKHDXJIYFGYIR-GHMZBOCLSA-N 1 0 200.301 1.610 10 0 BDAERO CC(=O)C[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000220987166 344655071 /nfs/dbraw/zinc/65/50/71/344655071.db2.gz RRZXITXQWFJSQU-SCZZXKLOSA-N 1 0 201.335 1.791 10 0 BDAERO C[C@](O)(C[NH3+])Cc1ccc(F)c(F)c1 ZINC000127840037 344661752 /nfs/dbraw/zinc/66/17/52/344661752.db2.gz OOEJDLAOVXEWQI-SNVBAGLBSA-N 1 0 201.216 1.217 10 0 BDAERO C[C@@](O)(C[NH3+])Cc1ccc(F)c(F)c1 ZINC000127840290 344661766 /nfs/dbraw/zinc/66/17/66/344661766.db2.gz OOEJDLAOVXEWQI-JTQLQIEISA-N 1 0 201.216 1.217 10 0 BDAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](SC2COC2)C1 ZINC000221123076 344681306 /nfs/dbraw/zinc/68/13/06/344681306.db2.gz DYTPNHMQXKQFIG-QNSHHTMESA-N 1 0 201.335 1.634 10 0 BDAERO O[C@]1(c2nc(Br)cs2)CC[NH2+]C1 ZINC000127716862 344621930 /nfs/dbraw/zinc/62/19/30/344621930.db2.gz QUPMTQVMNZBNNU-SSDOTTSWSA-N 1 0 249.133 1.087 10 0 BDAERO O=C1NCCCC[C@@H]1[NH+]1CCCCCCC1 ZINC000010036434 347064528 /nfs/dbraw/zinc/06/45/28/347064528.db2.gz WTQXOHLFKRHQIJ-LBPRGKRZSA-N 1 0 224.348 1.921 10 0 BDAERO CC[C@@H]1CS[C@]2(C[C@H](C)N(C)C2)[NH2+]1 ZINC000127756780 344643994 /nfs/dbraw/zinc/64/39/94/344643994.db2.gz WFLLVEJOSSTDOT-AEJSXWLSSA-N 1 0 200.351 1.522 10 0 BDAERO CCOC(=O)c1ccc(N2CCC([NH3+])CC2)cc1 ZINC000113696242 344751494 /nfs/dbraw/zinc/75/14/94/344751494.db2.gz XDCWNSQVLLZJJE-UHFFFAOYSA-N 1 0 248.326 1.791 10 0 BDAERO C[N@H+](C[C@H]1C[C@@H](O)C1)C[C@@H]1CCC[C@@H](O)C1 ZINC000626046551 344697338 /nfs/dbraw/zinc/69/73/38/344697338.db2.gz IOVMTYQPWZYPDG-LPWJVIDDSA-N 1 0 227.348 1.240 10 0 BDAERO O=[S@@]1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000158667807 344712323 /nfs/dbraw/zinc/71/23/23/344712323.db2.gz PVOHUDMXZTZXRO-GWCFXTLKSA-N 1 0 201.335 1.287 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(C)=O ZINC000075070022 344764906 /nfs/dbraw/zinc/76/49/06/344764906.db2.gz XVWBRTFVSZSJFZ-LLVKDONJSA-N 1 0 220.272 1.452 10 0 BDAERO CC[C@@](C)(OC)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400370684 537855641 /nfs/dbraw/zinc/85/56/41/537855641.db2.gz AQLCTASHHRDPNE-WDEREUQCSA-N 1 0 209.293 1.412 10 0 BDAERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)C(C)(C)C ZINC000309467850 347070698 /nfs/dbraw/zinc/07/06/98/347070698.db2.gz PXRXQWZXGQETOR-VHSXEESVSA-N 1 0 232.343 1.875 10 0 BDAERO CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)C(C)(C)C ZINC000309467848 347070737 /nfs/dbraw/zinc/07/07/37/347070737.db2.gz PXRXQWZXGQETOR-NXEZZACHSA-N 1 0 232.343 1.875 10 0 BDAERO c1nc2c([nH]1)[C@]1(CCC[C@H]3C[C@H]31)[NH2+]CC2 ZINC000400412221 537857103 /nfs/dbraw/zinc/85/71/03/537857103.db2.gz YVFHLOJXXIXSAV-YGOYTEALSA-N 1 0 203.289 1.571 10 0 BDAERO CS[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000235094296 344782998 /nfs/dbraw/zinc/78/29/98/344782998.db2.gz DPMCXIPBFHNXNI-YUMQZZPRSA-N 1 0 216.350 1.124 10 0 BDAERO CCc1ccnc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000181845880 347075256 /nfs/dbraw/zinc/07/52/56/347075256.db2.gz RZCUCTBXUFUTLU-GFCCVEGCSA-N 1 0 247.342 1.420 10 0 BDAERO C[C@H](C[NH3+])CNc1nc(C2CC2)ns1 ZINC000083675939 133529185 /nfs/dbraw/zinc/52/91/85/133529185.db2.gz YRWMGWOKFOUXMO-ZCFIWIBFSA-N 1 0 212.322 1.422 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1nccc2occc21 ZINC000336521400 347076544 /nfs/dbraw/zinc/07/65/44/347076544.db2.gz PXENNNFSNJGAGT-SFYZADRCSA-N 1 0 205.261 1.975 10 0 BDAERO CC[C@H]1C[C@]2(CCO1)[NH2+]CCc1nc[nH]c12 ZINC000400593185 537860806 /nfs/dbraw/zinc/86/08/06/537860806.db2.gz YWHAYIQXTGYMGQ-CABZTGNLSA-N 1 0 221.304 1.340 10 0 BDAERO C[C@@H](C[NH3+])[C@@H](O)c1occc1Br ZINC000235141607 344818825 /nfs/dbraw/zinc/81/88/25/344818825.db2.gz PDNTVNKCXKFYAN-CAHLUQPWSA-N 1 0 234.093 1.670 10 0 BDAERO Cc1cc(N)nn1CCC[NH+]1CCCC1 ZINC000300920058 537868082 /nfs/dbraw/zinc/86/80/82/537868082.db2.gz UCVKWNQCVXWEJF-UHFFFAOYSA-N 1 0 208.309 1.260 10 0 BDAERO CC1(C)CN(C(=O)c2ccccc2O)CC[C@@H]1[NH3+] ZINC000310737554 344851162 /nfs/dbraw/zinc/85/11/62/344851162.db2.gz ZSFQRUOYYYPUNV-LBPRGKRZSA-N 1 0 248.326 1.592 10 0 BDAERO c1cnc2c(c1)nccc2N1CC[NH2+]CC1 ZINC000078572787 344884060 /nfs/dbraw/zinc/88/40/60/344884060.db2.gz SDOWEKDPLKKXGU-UHFFFAOYSA-N 1 0 214.272 1.039 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1c(Br)nnn1C ZINC000235309246 344880149 /nfs/dbraw/zinc/88/01/49/344880149.db2.gz RFKXVWORWCIXKJ-NGJCXOISSA-N 1 0 245.124 1.233 10 0 BDAERO CC(C)=C(F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000153485342 344887943 /nfs/dbraw/zinc/88/79/43/344887943.db2.gz PUCNYPLNBSMGJB-LLVKDONJSA-N 1 0 240.322 1.947 10 0 BDAERO Cc1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)nn1 ZINC000050164188 178769235 /nfs/dbraw/zinc/76/92/35/178769235.db2.gz JVOGUABIYIHOCK-QWRGUYRKSA-N 1 0 220.320 1.585 10 0 BDAERO [NH3+]C[C@@]1(C[C@@H]2CCCO2)CCCS1 ZINC000166488197 344907621 /nfs/dbraw/zinc/90/76/21/344907621.db2.gz ROPZFLKJOXJTMW-UWVGGRQHSA-N 1 0 201.335 1.780 10 0 BDAERO C[C@@H]1C[C@H](N2C[C@@H](C)[C@@H]([NH3+])C2)CS1 ZINC000235424445 344909393 /nfs/dbraw/zinc/90/93/93/344909393.db2.gz UJCABGXUIQZDRW-IMSYWVGJSA-N 1 0 200.351 1.159 10 0 BDAERO COC(C)(C)C(=O)C[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000301004451 537876045 /nfs/dbraw/zinc/87/60/45/537876045.db2.gz NJYIAXNMBCPVNH-VHSXEESVSA-N 1 0 213.321 1.759 10 0 BDAERO [NH3+]Cc1cnc(-c2ccncc2F)s1 ZINC000135899605 344927488 /nfs/dbraw/zinc/92/74/88/344927488.db2.gz RFWYYCDLKDILRN-UHFFFAOYSA-N 1 0 209.249 1.803 10 0 BDAERO C[C@H](O)COCCC[NH2+]Cc1ccccc1 ZINC000235527121 344932744 /nfs/dbraw/zinc/93/27/44/344932744.db2.gz LMIJZAHZLLCXAM-LBPRGKRZSA-N 1 0 223.316 1.564 10 0 BDAERO Brc1cn([C@H]2CCC[NH2+]C2)cn1 ZINC000667414524 537874722 /nfs/dbraw/zinc/87/47/22/537874722.db2.gz DLEYPDOHFJZOAR-ZETCQYMHSA-N 1 0 230.109 1.570 10 0 BDAERO CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000308800559 323081313 /nfs/dbraw/zinc/08/13/13/323081313.db2.gz MKAYKXGINOENTQ-MNOVXSKESA-N 1 0 215.337 1.098 10 0 BDAERO CO[C@H](C)C[NH2+]CCNCc1ccccc1 ZINC000224611208 344956721 /nfs/dbraw/zinc/95/67/21/344956721.db2.gz IGFOFRFCHFZMNS-GFCCVEGCSA-N 1 0 222.332 1.401 10 0 BDAERO Cc1nnc2n1C[C@H]([NH2+]C[C@H]1C[C@@H]1C)CC2 ZINC000381030315 537876636 /nfs/dbraw/zinc/87/66/36/537876636.db2.gz AEFYTOWXPUKKAG-JMJZKYOTSA-N 1 0 220.320 1.147 10 0 BDAERO COc1ccc2[nH]cc([C@@H]([NH3+])CCO)c2c1 ZINC000044232358 344988234 /nfs/dbraw/zinc/98/82/34/344988234.db2.gz UPXDGXITERZGLU-NSHDSACASA-N 1 0 220.272 1.559 10 0 BDAERO COc1cc(F)c([C@@H]([NH3+])CCO)cc1OC ZINC000044232992 344988363 /nfs/dbraw/zinc/98/83/63/344988363.db2.gz GBLNOVXCEMNLOY-VIFPVBQESA-N 1 0 229.251 1.225 10 0 BDAERO [NH3+][C@@H](CCO)c1cc(F)c(F)c(F)c1 ZINC000044233116 344988639 /nfs/dbraw/zinc/98/86/39/344988639.db2.gz MHSPAADTKOPTOG-QMMMGPOBSA-N 1 0 205.179 1.486 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1cc(Cl)ccc1F ZINC000044255577 344995918 /nfs/dbraw/zinc/99/59/18/344995918.db2.gz ZWDNJIJDXVZSRO-MRVPVSSYSA-N 1 0 216.643 1.354 10 0 BDAERO [NH3+]CCCc1cccc(Br)n1 ZINC000044280215 345003785 /nfs/dbraw/zinc/00/37/85/345003785.db2.gz ORMHWEPIOPMTFB-UHFFFAOYSA-N 1 0 215.094 1.735 10 0 BDAERO [NH3+][C@H](Cn1cccn1)c1ccc(O)cc1 ZINC000011848814 345031390 /nfs/dbraw/zinc/03/13/90/345031390.db2.gz ZUKZSHIZBYODKA-LLVKDONJSA-N 1 0 203.245 1.289 10 0 BDAERO C[C@H]1C[N@H+](C)CCN1c1cnnc(Cl)c1 ZINC000235678867 345035175 /nfs/dbraw/zinc/03/51/75/345035175.db2.gz HQYRCTCUYPJKJS-QMMMGPOBSA-N 1 0 226.711 1.270 10 0 BDAERO Cc1ccc(O[C@H](C[NH3+])C(F)(F)F)cn1 ZINC000095751176 178819018 /nfs/dbraw/zinc/81/90/18/178819018.db2.gz BDDCDSWKNMYDFP-MRVPVSSYSA-N 1 0 220.194 1.658 10 0 BDAERO Cc1ccc(O[C@H](C)C(N)=O)c([C@H](C)[NH3+])c1 ZINC000035629313 178819145 /nfs/dbraw/zinc/81/91/45/178819145.db2.gz CFBPBKXXUKOVLR-DTWKUNHWSA-N 1 0 222.288 1.267 10 0 BDAERO Cc1csc(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000238497552 345063315 /nfs/dbraw/zinc/06/33/15/345063315.db2.gz KWJILIMTIOPFOL-QMMMGPOBSA-N 1 0 210.302 1.230 10 0 BDAERO Cc1ccc(OC[C@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000052649572 178815228 /nfs/dbraw/zinc/81/52/28/178815228.db2.gz GIKHCQHKAHXXTQ-CHWSQXEVSA-N 1 0 221.300 1.880 10 0 BDAERO CS[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155724705 345098913 /nfs/dbraw/zinc/09/89/13/345098913.db2.gz RMMXGTYGLVSWIC-AXFHLTTASA-N 1 0 244.404 1.583 10 0 BDAERO CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)C(C)C ZINC000634955540 345126626 /nfs/dbraw/zinc/12/66/26/345126626.db2.gz JQLCLWYAFSEJPV-NWDGAFQWSA-N 1 0 247.404 1.978 10 0 BDAERO CO[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)C(C)C ZINC000381284579 345241647 /nfs/dbraw/zinc/24/16/47/345241647.db2.gz MDERCCKCHGNGGI-NEPJUHHUSA-N 1 0 242.363 1.163 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H]1C1=[NH+]CCN1 ZINC000150101464 537894301 /nfs/dbraw/zinc/89/43/01/537894301.db2.gz FGCYEDNAVRTJTQ-VIFPVBQESA-N 1 0 239.319 1.388 10 0 BDAERO O[C@@H]1C=C(c2cnc(C3CC3)s2)C[NH2+]C1 ZINC000675077482 537893747 /nfs/dbraw/zinc/89/37/47/537893747.db2.gz NCCPZTAUTLGGGQ-SECBINFHSA-N 1 0 222.313 1.368 10 0 BDAERO Clc1cc(NCCc2c[nH]cn2)ncn1 ZINC000229304708 345494575 /nfs/dbraw/zinc/49/45/75/345494575.db2.gz DNFYGWXABYBZDH-UHFFFAOYSA-N 1 0 223.667 1.508 10 0 BDAERO FC(F)c1nnc(N[C@H]2CC[NH2+]C2)s1 ZINC000307384614 345538898 /nfs/dbraw/zinc/53/88/98/345538898.db2.gz GTJIRQBNUUOLSB-BYPYZUCNSA-N 1 0 220.248 1.250 10 0 BDAERO Cc1nn(C2C[NH2+]C2)c(C)c1Br ZINC000054931673 345566597 /nfs/dbraw/zinc/56/65/97/345566597.db2.gz OUGWJTOEACBBRK-UHFFFAOYSA-N 1 0 230.109 1.407 10 0 BDAERO O=C1c2ncccc2C[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000716131260 537899053 /nfs/dbraw/zinc/89/90/53/537899053.db2.gz VACAHWIVHIBLEZ-ZJUUUORDSA-N 1 0 202.257 1.189 10 0 BDAERO NC(=[NH2+])COc1ccc(F)c(Br)c1 ZINC000137611475 345659974 /nfs/dbraw/zinc/65/99/74/345659974.db2.gz HCPGERNQVWZXCG-UHFFFAOYSA-N 1 0 247.067 1.903 10 0 BDAERO CC(C)=CC[NH2+]Cc1nnc2ccccn21 ZINC000236733179 192089553 /nfs/dbraw/zinc/08/95/53/192089553.db2.gz HFSIJPBUPFIEER-UHFFFAOYSA-N 1 0 216.288 1.785 10 0 BDAERO CC(C)=CC[NH2+]CCCN1CCCC1=O ZINC000236731284 192089588 /nfs/dbraw/zinc/08/95/88/192089588.db2.gz VZVAHIKJVGANRN-UHFFFAOYSA-N 1 0 210.321 1.555 10 0 BDAERO CC(C)c1noc(N2CCC[C@H](C[NH3+])C2)n1 ZINC000212608848 345739773 /nfs/dbraw/zinc/73/97/73/345739773.db2.gz DGOWWBOAXGGWJQ-SECBINFHSA-N 1 0 224.308 1.368 10 0 BDAERO NC(=O)O[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000113414991 345754113 /nfs/dbraw/zinc/75/41/13/345754113.db2.gz HXAURIJHGIAWNZ-QMMMGPOBSA-N 1 0 248.204 1.801 10 0 BDAERO Cc1cnc(NC2CCC([NH3+])CC2)nc1C ZINC000212410921 345733612 /nfs/dbraw/zinc/73/36/12/345733612.db2.gz ZSFCLGPPNHSIDE-UHFFFAOYSA-N 1 0 220.320 1.775 10 0 BDAERO Cc1ccc([C@H]2CCCN2C(=O)[C@H](C)[NH3+])o1 ZINC000262712773 178919768 /nfs/dbraw/zinc/91/97/68/178919768.db2.gz RWOKDVLHTPIMET-VHSXEESVSA-N 1 0 222.288 1.599 10 0 BDAERO Fc1cc2c3c(n4c2c(c1)OCC4)CC[NH2+]CC3 ZINC000034017634 345815403 /nfs/dbraw/zinc/81/54/03/345815403.db2.gz DNENFUCLFXFHFV-UHFFFAOYSA-N 1 0 246.285 1.861 10 0 BDAERO O[C@@H](COCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000034006249 345815408 /nfs/dbraw/zinc/81/54/08/345815408.db2.gz DCJOWWMUIMVZHV-KGLIPLIRSA-N 1 0 235.327 1.706 10 0 BDAERO COc1ccc([C@@]2(O)CC[N@H+](C)[C@H]2C)cc1 ZINC000034080584 345816534 /nfs/dbraw/zinc/81/65/34/345816534.db2.gz WXGSJVZLGJHMCC-GXFFZTMASA-N 1 0 221.300 1.607 10 0 BDAERO CC[C@H](O)C[C@H](O)[C@@H]([NH3+])CC1CCCCC1 ZINC000034117368 345817275 /nfs/dbraw/zinc/81/72/75/345817275.db2.gz PABCDNCNBSROLD-AVGNSLFASA-N 1 0 229.364 1.806 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H]2CO2)C1 ZINC000257352476 345773383 /nfs/dbraw/zinc/77/33/83/345773383.db2.gz LOHFUTADEFJBDN-UWVGGRQHSA-N 1 0 227.304 1.049 10 0 BDAERO CC(C)n1nc2c(c1CC[NH3+])CSCC2 ZINC000257730989 345781701 /nfs/dbraw/zinc/78/17/01/345781701.db2.gz QSKQLSRXOLRCBZ-UHFFFAOYSA-N 1 0 225.361 1.755 10 0 BDAERO N#Cc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC000140078360 345805712 /nfs/dbraw/zinc/80/57/12/345805712.db2.gz KKPQFWUYRCNKQQ-UHFFFAOYSA-N 1 0 226.283 1.902 10 0 BDAERO Cc1ccc([C@](C)([NH2+]CC(C)C)C(N)=O)cc1 ZINC000037951901 178924919 /nfs/dbraw/zinc/92/49/19/178924919.db2.gz PTEBXMJYHGTWSR-AWEZNQCLSA-N 1 0 234.343 1.941 10 0 BDAERO CC(C)(C)OC(=O)N[C@@]1(C)CCC[C@@H]1[NH3+] ZINC000215737214 345850002 /nfs/dbraw/zinc/85/00/02/345850002.db2.gz LTGGAMBUUPUTCF-KWQFWETISA-N 1 0 214.309 1.781 10 0 BDAERO CON(C)C(=O)CC[NH2+]CCc1ccccc1 ZINC000218961290 345857143 /nfs/dbraw/zinc/85/71/43/345857143.db2.gz XDGBVNHOLPQDBP-UHFFFAOYSA-N 1 0 236.315 1.229 10 0 BDAERO C[C@H](c1nccs1)N1CCC[C@H](C[NH3+])C1 ZINC000083143904 345915108 /nfs/dbraw/zinc/91/51/08/345915108.db2.gz VNCJIMQMOZVXLJ-NXEZZACHSA-N 1 0 225.361 1.875 10 0 BDAERO Cc1sccc1[C@@H]([NH3+])CC1OCCO1 ZINC000235811655 345924646 /nfs/dbraw/zinc/92/46/46/345924646.db2.gz YXLSPDVXWQGIFP-VIFPVBQESA-N 1 0 213.302 1.819 10 0 BDAERO CCCCN(CC)c1cc(N)[nH+]c(C)n1 ZINC000087800882 345941274 /nfs/dbraw/zinc/94/12/74/345941274.db2.gz BICXKCAZMJUDOI-UHFFFAOYSA-N 1 0 208.309 1.994 10 0 BDAERO CCOCCCNc1cc(NC)[nH+]c(C)n1 ZINC000087808329 345942246 /nfs/dbraw/zinc/94/22/46/345942246.db2.gz AFNJHXJAFXSDKU-UHFFFAOYSA-N 1 0 224.308 1.665 10 0 BDAERO Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2O)o1 ZINC000628223719 345964998 /nfs/dbraw/zinc/96/49/98/345964998.db2.gz PFMKDKIZZUNLST-ONGXEEELSA-N 1 0 210.277 1.234 10 0 BDAERO Nc1ccc(-c2ccc(N)cc2C[NH3+])cc1 ZINC000034503524 346025186 /nfs/dbraw/zinc/02/51/86/346025186.db2.gz HLSQJZJUTZGTJT-UHFFFAOYSA-N 1 0 213.284 1.977 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000082818617 537940212 /nfs/dbraw/zinc/94/02/12/537940212.db2.gz AWIJEMWVCXSJMH-IUCAKERBSA-N 1 0 205.323 1.080 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC000390480742 346064932 /nfs/dbraw/zinc/06/49/32/346064932.db2.gz LFXADHOIXNHGIN-NSHDSACASA-N 1 0 223.320 1.557 10 0 BDAERO C[C@@H]1C[C@@H](C)CC2(CC(=O)O[C@@H]2C[NH3+])C1 ZINC000675054579 537947225 /nfs/dbraw/zinc/94/72/25/537947225.db2.gz VZHWLEJDRIPCMN-OPRDCNLKSA-N 1 0 211.305 1.703 10 0 BDAERO Cc1ccnc(OC2C[NH2+]C2)c1Br ZINC000235951145 346174993 /nfs/dbraw/zinc/17/49/93/346174993.db2.gz QUORWWJKTCHIEE-UHFFFAOYSA-N 1 0 243.104 1.503 10 0 BDAERO CCc1csc(OC2CC[NH2+]CC2)n1 ZINC000061895084 346175168 /nfs/dbraw/zinc/17/51/68/346175168.db2.gz JWNAOMLHZHPBNF-UHFFFAOYSA-N 1 0 212.318 1.836 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCCC2=O)CCCO1 ZINC000061934005 346177365 /nfs/dbraw/zinc/17/73/65/346177365.db2.gz KQYNMLJHCCFDBY-MNOVXSKESA-N 1 0 211.305 1.466 10 0 BDAERO c1ccc(COC[C@H]2C[NH2+]CCO2)cc1 ZINC000034120683 346203337 /nfs/dbraw/zinc/20/33/37/346203337.db2.gz LMONFJPVVMPUTF-GFCCVEGCSA-N 1 0 207.273 1.192 10 0 BDAERO [NH3+]Cc1ccnc(Sc2ncc[nH]2)c1 ZINC000236204912 346209789 /nfs/dbraw/zinc/20/97/89/346209789.db2.gz JFXSMIKRVWJCDE-UHFFFAOYSA-N 1 0 206.274 1.415 10 0 BDAERO C[C@]1(C(N)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000034157640 346212913 /nfs/dbraw/zinc/21/29/13/346212913.db2.gz HAVYGQGGWQWOHC-CYBMUJFWSA-N 1 0 218.300 1.526 10 0 BDAERO [NH3+]Cc1cn(COCc2ccccc2)cn1 ZINC000236228774 346212983 /nfs/dbraw/zinc/21/29/83/346212983.db2.gz CCCURGMDQVKXPW-UHFFFAOYSA-N 1 0 217.272 1.516 10 0 BDAERO Cc1c(N)cnc(NCC[NH3+])c1Br ZINC000167021988 346182163 /nfs/dbraw/zinc/18/21/63/346182163.db2.gz WLQBWLIDXHLQMA-UHFFFAOYSA-N 1 0 245.124 1.105 10 0 BDAERO Cn1nnc(Br)c1C1=C[C@H]([NH3+])CC1 ZINC000236078938 346189247 /nfs/dbraw/zinc/18/92/47/346189247.db2.gz IONMVFBQTQSNLP-ZCFIWIBFSA-N 1 0 243.108 1.082 10 0 BDAERO Cc1c(C)[n+](=O)c2cc(C=O)ccc2n1O ZINC000364320460 346192398 /nfs/dbraw/zinc/19/23/98/346192398.db2.gz HYCCYPAGEUWIML-UHFFFAOYSA-N 1 0 219.220 1.222 10 0 BDAERO CCC[N@@H+]1CCC[C@H]([C@H](C)S(=O)(=O)NC)C1 ZINC000669375887 537957802 /nfs/dbraw/zinc/95/78/02/537957802.db2.gz XZVSWBPUGYRCHB-QWRGUYRKSA-N 1 0 248.392 1.046 10 0 BDAERO Clc1nsnc1N1CCn2ccnc2C1 ZINC000062328930 346240576 /nfs/dbraw/zinc/24/05/76/346240576.db2.gz PUQDTGMVXIPMBV-UHFFFAOYSA-N 1 0 241.707 1.408 10 0 BDAERO C[C@@H](Oc1cccc(F)c1F)C(N)=[NH2+] ZINC000062615575 346292327 /nfs/dbraw/zinc/29/23/27/346292327.db2.gz HAAAXGABHSEDMM-RXMQYKEDSA-N 1 0 200.188 1.668 10 0 BDAERO CSc1cnc([C@@H](O)CC[NH3+])s1 ZINC000669377870 537965666 /nfs/dbraw/zinc/96/56/66/537965666.db2.gz ZFQXNUTYKRXROX-YFKPBYRVSA-N 1 0 204.320 1.247 10 0 BDAERO CC(C)[C@H](C)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000669378539 537969027 /nfs/dbraw/zinc/96/90/27/537969027.db2.gz GALLANPLMMVCFI-GRYCIOLGSA-N 1 0 226.364 1.640 10 0 BDAERO Cc1cccc(CC(=O)N[C@H]2CCC[C@H]2[NH3+])c1 ZINC000063172212 179052892 /nfs/dbraw/zinc/05/28/92/179052892.db2.gz WZIRZJFTXRNJLH-OLZOCXBDSA-N 1 0 232.327 1.534 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000669378715 537970166 /nfs/dbraw/zinc/97/01/66/537970166.db2.gz NXKDOFSQCYXVFQ-NXEZZACHSA-N 1 0 227.352 1.410 10 0 BDAERO Cc1cccc(CCN2CCC[C@H]([NH3+])C2)c1 ZINC000057939516 179056951 /nfs/dbraw/zinc/05/69/51/179056951.db2.gz LFJALKOIEABECH-AWEZNQCLSA-N 1 0 218.344 1.961 10 0 BDAERO CCSCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161584223 346338092 /nfs/dbraw/zinc/33/80/92/346338092.db2.gz JKKCVGIUJZRDGE-JTQLQIEISA-N 1 0 203.351 1.444 10 0 BDAERO CC[C@](C)(O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000381584766 346388051 /nfs/dbraw/zinc/38/80/51/346388051.db2.gz GZKODIBGCOEEBG-LBPRGKRZSA-N 1 0 225.336 1.406 10 0 BDAERO CC1CC(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000381594247 346398526 /nfs/dbraw/zinc/39/85/26/346398526.db2.gz KWNYBODHZPYSEY-QONHTCSSSA-N 1 0 210.321 1.147 10 0 BDAERO CCC[N@H+](CC)C[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1 ZINC000669379115 537975276 /nfs/dbraw/zinc/97/52/76/537975276.db2.gz SSNYSBNVKTWPOB-WDEREUQCSA-N 1 0 228.336 1.029 10 0 BDAERO CC[C@H](C(=O)C1CC1)[C@H]1COC[C@@H](C)[NH2+]1 ZINC000308805806 537975482 /nfs/dbraw/zinc/97/54/82/537975482.db2.gz OKLYKFGARNRQLW-DVVUODLYSA-N 1 0 211.305 1.369 10 0 BDAERO Cc1cccc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)n1 ZINC000335598074 179077671 /nfs/dbraw/zinc/07/76/71/179077671.db2.gz SOEXZRWNYBUNRK-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO Cc1cccc(CN2C[C@@H](C[NH3+])OC2=O)c1 ZINC000019668887 179081473 /nfs/dbraw/zinc/08/14/73/179081473.db2.gz MAMQQKZWBJUVOM-LLVKDONJSA-N 1 0 220.272 1.275 10 0 BDAERO CC(C)(C)C(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669379541 537980150 /nfs/dbraw/zinc/98/01/50/537980150.db2.gz FALDJEOOFKNXFQ-SNVBAGLBSA-N 1 0 222.279 1.521 10 0 BDAERO C[C@@H]1CN[C@]2(CC[NH2+]C[C@@H]2C)SC1 ZINC000229565615 346437717 /nfs/dbraw/zinc/43/77/17/346437717.db2.gz COQXISBCUBLWCC-KXUCPTDWSA-N 1 0 200.351 1.285 10 0 BDAERO Cc1cccc(C[NH2+]CCN(C)C)c1F ZINC000083346349 179091735 /nfs/dbraw/zinc/09/17/35/179091735.db2.gz RQUVTJJSPQOCOY-UHFFFAOYSA-N 1 0 210.296 1.785 10 0 BDAERO Cc1cccc(CC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170868325 346466860 /nfs/dbraw/zinc/46/68/60/346466860.db2.gz QZQSZHDFDRWWGI-CQSZACIVSA-N 1 0 246.354 1.700 10 0 BDAERO CCC[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170882361 346470322 /nfs/dbraw/zinc/47/03/22/346470322.db2.gz QXEDMQZIVSZUTK-MNOVXSKESA-N 1 0 212.337 1.585 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1CCn2c(N)c[nH+]c2C1 ZINC000725241947 537982231 /nfs/dbraw/zinc/98/22/31/537982231.db2.gz XLCDUNYKLSMCOR-MRVPVSSYSA-N 1 0 237.303 1.369 10 0 BDAERO Cc1cccc(C[C@@H]([NH3+])[C@H]2CCOC2)c1 ZINC000052127181 179104786 /nfs/dbraw/zinc/10/47/86/179104786.db2.gz GBZICLGWQLIBSX-QWHCGFSZSA-N 1 0 205.301 1.901 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000069909755 349968847 /nfs/dbraw/zinc/96/88/47/349968847.db2.gz FQQSGAGDQAXMRT-CHWFTXMASA-N 1 0 242.388 1.194 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H]1CCC ZINC000300375844 346531096 /nfs/dbraw/zinc/53/10/96/346531096.db2.gz DKNZWOYFEFRTPL-JHJVBQTASA-N 1 0 229.364 1.942 10 0 BDAERO C[C@@H]([NH3+])C(C)(C)Nc1ncncc1Cl ZINC000163770972 346576457 /nfs/dbraw/zinc/57/64/57/346576457.db2.gz KJEADRGWXZWUPW-ZCFIWIBFSA-N 1 0 214.700 1.668 10 0 BDAERO CC(C)[C@H]([NH3+])[C@@H](CO)OCc1ccccc1 ZINC000164218858 346596388 /nfs/dbraw/zinc/59/63/88/346596388.db2.gz LXBWBDHCULXZDS-OLZOCXBDSA-N 1 0 223.316 1.547 10 0 BDAERO CC(C)[C@@H]([NH3+])[C@@H](CO)OCc1ccccc1 ZINC000164218975 346596444 /nfs/dbraw/zinc/59/64/44/346596444.db2.gz LXBWBDHCULXZDS-CHWSQXEVSA-N 1 0 223.316 1.547 10 0 BDAERO C[C@@]1(C[NH+]2CC(CO)C2)CCCS1 ZINC000164440650 346604532 /nfs/dbraw/zinc/60/45/32/346604532.db2.gz NBAZBKSGYIXFQW-JTQLQIEISA-N 1 0 201.335 1.196 10 0 BDAERO CSCCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000381857216 346655512 /nfs/dbraw/zinc/65/55/12/346655512.db2.gz VDRRNKOKRPNZAI-VHSXEESVSA-N 1 0 230.377 1.100 10 0 BDAERO Cc1cccc(NC(=O)COC[C@@H]2CCC[NH2+]2)c1 ZINC000031840200 179128768 /nfs/dbraw/zinc/12/87/68/179128768.db2.gz WCZGECGWYIKCIT-ZDUSSCGKSA-N 1 0 248.326 1.702 10 0 BDAERO OC1(c2ccc3c(c2)COCC3)CC[NH2+]CC1 ZINC000166255190 346669589 /nfs/dbraw/zinc/66/95/89/346669589.db2.gz PKMFWINTXCVMFS-UHFFFAOYSA-N 1 0 233.311 1.330 10 0 BDAERO COC[C@@H](C)C[NH2+]CCn1cc(C)cn1 ZINC000187837861 346628421 /nfs/dbraw/zinc/62/84/21/346628421.db2.gz VOAGYNALYCIBRP-NSHDSACASA-N 1 0 211.309 1.064 10 0 BDAERO Cc1cccc(NC(=O)[C@H](C)[NH3+])c1Cl ZINC000160735982 179140063 /nfs/dbraw/zinc/14/00/63/179140063.db2.gz GIFRTRPAMHKIMF-ZETCQYMHSA-N 1 0 212.680 1.934 10 0 BDAERO Cc1ccnc(-c2cc(C[NH3+])ccc2N)n1 ZINC000669380077 537985393 /nfs/dbraw/zinc/98/53/93/537985393.db2.gz HXVROASHEFMTFG-UHFFFAOYSA-N 1 0 214.272 1.493 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2CC(O)C2)[C@H]2CCO[C@H]21 ZINC000228098794 346790706 /nfs/dbraw/zinc/79/07/06/346790706.db2.gz JGTVTKGEEWAMKP-WLBBICOFSA-N 1 0 225.332 1.160 10 0 BDAERO Cc1cccc(OC[C@@H](CO)[NH2+]C(C)C)c1 ZINC000082901520 179170971 /nfs/dbraw/zinc/17/09/71/179170971.db2.gz POYVEJIGGQMJKC-GFCCVEGCSA-N 1 0 223.316 1.733 10 0 BDAERO Cc1cccc([C@@H]([NH3+])CO)c1Br ZINC000072198657 179184971 /nfs/dbraw/zinc/18/49/71/179184971.db2.gz WXNCSCVAJMMTIP-QMMMGPOBSA-N 1 0 230.105 1.750 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1[S@](=O)c1cccs1 ZINC000250079805 362786222 /nfs/dbraw/zinc/78/62/22/362786222.db2.gz HSRQOOJSYUYSPY-RBDZCENOSA-N 1 0 215.343 1.736 10 0 BDAERO Cc1cnc(N)c(C(=O)[C@H]([NH3+])C(C)C)c1 ZINC000167820172 347227375 /nfs/dbraw/zinc/22/73/75/347227375.db2.gz OMTYTXVNZAZHQO-SECBINFHSA-N 1 0 207.277 1.138 10 0 BDAERO Nc1nccc(-n2cnc3ccccc32)n1 ZINC000087839471 362797379 /nfs/dbraw/zinc/79/73/79/362797379.db2.gz ZZHMELDDHAYUMU-UHFFFAOYSA-N 1 0 211.228 1.398 10 0 BDAERO c1cc2c(o1)CC[NH2+][C@@]21C[C@H]2COC[C@H]21 ZINC000725242879 537987884 /nfs/dbraw/zinc/98/78/84/537987884.db2.gz NDQKJXXAAUYQJV-XRNSZHNASA-N 1 0 205.257 1.287 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)C(C)(C)COC ZINC000310217821 347248295 /nfs/dbraw/zinc/24/82/95/347248295.db2.gz GEURWRQKIIPSBK-LBPRGKRZSA-N 1 0 247.379 1.521 10 0 BDAERO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2C)cc1 ZINC000189093245 347295602 /nfs/dbraw/zinc/29/56/02/347295602.db2.gz LLODZZYWPULGAA-GFCCVEGCSA-N 1 0 232.327 1.705 10 0 BDAERO Cc1cccc([C@H](C[NH3+])Sc2nc[nH]n2)c1 ZINC000042969594 179199070 /nfs/dbraw/zinc/19/90/70/179199070.db2.gz FZWZJLHPKNKEBA-JTQLQIEISA-N 1 0 234.328 1.905 10 0 BDAERO Cc1cccc([C@H]([NH3+])Cc2cnn(C)c2)c1 ZINC000050542497 179201189 /nfs/dbraw/zinc/20/11/89/179201189.db2.gz URWVSIWDKOEAFJ-CYBMUJFWSA-N 1 0 215.300 1.971 10 0 BDAERO Cc1cccc([C@H]([NH2+]C2CC2)C(N)=O)c1 ZINC000037870409 179201869 /nfs/dbraw/zinc/20/18/69/179201869.db2.gz RZRQFONQGMXHML-NSHDSACASA-N 1 0 204.273 1.273 10 0 BDAERO Clc1csc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000250769412 362819959 /nfs/dbraw/zinc/81/99/59/362819959.db2.gz MGBGCGWSSDMTBV-KCQQBQQISA-N 1 0 215.709 1.426 10 0 BDAERO [NH3+]C[C@H](NC(=O)C1CC1)C(F)(F)C(F)(F)F ZINC000669380476 537989640 /nfs/dbraw/zinc/98/96/40/537989640.db2.gz OBLNPVHAYPTDLU-YFKPBYRVSA-N 1 0 246.179 1.038 10 0 BDAERO CC[C@@H]1CCN(C(=O)CC(C)C)C[C@H]1[NH3+] ZINC000616568626 347450102 /nfs/dbraw/zinc/45/01/02/347450102.db2.gz CEFZGIKWTUSQDM-GHMZBOCLSA-N 1 0 212.337 1.618 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)C(C)(C)C ZINC000616568624 347450231 /nfs/dbraw/zinc/45/02/31/347450231.db2.gz CDEFBOAVQSWXMI-VHSXEESVSA-N 1 0 212.337 1.537 10 0 BDAERO O=C1CCC[C@@]2(C1)[NH2+]CCc1occc12 ZINC000725242864 537989758 /nfs/dbraw/zinc/98/97/58/537989758.db2.gz FPVDFVGSYQVXFB-LBPRGKRZSA-N 1 0 205.257 1.764 10 0 BDAERO CC(=O)[C@H](C)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000251023556 362833671 /nfs/dbraw/zinc/83/36/71/362833671.db2.gz FLPVHCOWLFFYDQ-JQWIXIFHSA-N 1 0 210.321 1.134 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1cc(OC)cc(OC)c1 ZINC000036779342 347577993 /nfs/dbraw/zinc/57/79/93/347577993.db2.gz JQGPMZIHMZDYAL-VXGBXAGGSA-N 1 0 225.288 1.475 10 0 BDAERO Cc1ccccc1CCN1CC[NH2+]C[C@H]1C ZINC000071520966 179263409 /nfs/dbraw/zinc/26/34/09/179263409.db2.gz MQCHVOQWHJSVOU-CYBMUJFWSA-N 1 0 218.344 1.831 10 0 BDAERO Cc1ccccc1CCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000094183655 179265535 /nfs/dbraw/zinc/26/55/35/179265535.db2.gz GAMQLQXVHVQLPH-UONOGXRCSA-N 1 0 246.354 1.781 10 0 BDAERO Cc1ccccc1Cn1cc(CC[NH3+])cn1 ZINC000054740836 179293454 /nfs/dbraw/zinc/29/34/54/179293454.db2.gz ILRKUIVODUWCEV-UHFFFAOYSA-N 1 0 215.300 1.741 10 0 BDAERO O=C(C1CCCC1)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000616569627 347806963 /nfs/dbraw/zinc/80/69/63/347806963.db2.gz BLELVIPFVSEWQA-RYUDHWBXSA-N 1 0 222.332 1.530 10 0 BDAERO Cc1ccccc1C[C@@]1(C[NH3+])CCOC1 ZINC000054637635 179289513 /nfs/dbraw/zinc/28/95/13/179289513.db2.gz QIHJEMAOKJSCIM-CYBMUJFWSA-N 1 0 205.301 1.903 10 0 BDAERO Cc1ccccc1C[C@H](O)[C@H]1CCC[NH2+]C1 ZINC000041232873 179292362 /nfs/dbraw/zinc/29/23/62/179292362.db2.gz GIEABJNJEUYXCA-KBPBESRZSA-N 1 0 219.328 1.898 10 0 BDAERO Cc1ccccc1Cc1nc(C[NH3+])c[nH]1 ZINC000062820760 179292661 /nfs/dbraw/zinc/29/26/61/179292661.db2.gz HGMWZRSSRCKEBT-UHFFFAOYSA-N 1 0 201.273 1.768 10 0 BDAERO Cc1ccccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000129054775 179301393 /nfs/dbraw/zinc/30/13/93/179301393.db2.gz DXDZJVRFVPJZDP-JTQLQIEISA-N 1 0 218.300 1.789 10 0 BDAERO Cc1ccccc1NC(=O)C[NH2+][C@H]1C[C@H]1C ZINC000052287849 179299516 /nfs/dbraw/zinc/29/95/16/179299516.db2.gz CEJCBPRTGHUVRA-PWSUYJOCSA-N 1 0 218.300 1.932 10 0 BDAERO CCC[C@H](C)C(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000616569978 347880823 /nfs/dbraw/zinc/88/08/23/347880823.db2.gz DHWYEYPRKRYDOJ-NSHDSACASA-N 1 0 224.348 1.635 10 0 BDAERO Cc1ccccc1S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000083296138 179314468 /nfs/dbraw/zinc/31/44/68/179314468.db2.gz KQXFHIWNVVVQFZ-NSHDSACASA-N 1 0 239.340 1.521 10 0 BDAERO Cc1ccccc1S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000083296141 179314488 /nfs/dbraw/zinc/31/44/88/179314488.db2.gz KQXFHIWNVVVQFZ-LLVKDONJSA-N 1 0 239.340 1.521 10 0 BDAERO CCC(=O)N1CC[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000616570067 347900679 /nfs/dbraw/zinc/90/06/79/347900679.db2.gz DYTMXVYCGUSSFH-LBPRGKRZSA-N 1 0 236.290 1.709 10 0 BDAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC(=O)NC1=O ZINC000103348393 179320608 /nfs/dbraw/zinc/32/06/08/179320608.db2.gz AVCVKNQHJRHCKO-MWLCHTKSSA-N 1 0 232.283 1.061 10 0 BDAERO CC[N@@H+]1CC[C@@H](c2ccc(CO)cc2)C1 ZINC000616613635 349977945 /nfs/dbraw/zinc/97/79/45/349977945.db2.gz ZZSMRGWPDJAODT-CYBMUJFWSA-N 1 0 205.301 1.988 10 0 BDAERO N[C@H]1C[NH2+]CC[C@H]1c1ccc2c(c1)CCN2 ZINC000669381419 537995205 /nfs/dbraw/zinc/99/52/05/537995205.db2.gz JEVUKQHMHZRDPJ-RYUDHWBXSA-N 1 0 217.316 1.059 10 0 BDAERO Cc1ccccc1[C@H](C)N1CC[C@H]([NH3+])C1=O ZINC000049659988 179335259 /nfs/dbraw/zinc/33/52/59/179335259.db2.gz BWGLNVQYZURFOO-JQWIXIFHSA-N 1 0 218.300 1.616 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091666916 179337334 /nfs/dbraw/zinc/33/73/34/179337334.db2.gz WVCCJUBBOKIDHX-UONOGXRCSA-N 1 0 248.370 1.976 10 0 BDAERO CCOC(=O)c1cccnc1NC1CC[NH2+]CC1 ZINC000037116608 348019190 /nfs/dbraw/zinc/01/91/90/348019190.db2.gz QOOPGXLUMLKWPO-UHFFFAOYSA-N 1 0 249.314 1.422 10 0 BDAERO Cc1noc(C)c1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037166113 348024965 /nfs/dbraw/zinc/02/49/65/348024965.db2.gz QZBKSWJUKAHGNC-WDEREUQCSA-N 1 0 224.304 1.685 10 0 BDAERO Cc1ccccc1[C@H]1C[NH2+]C[C@@H](C(N)=O)C1 ZINC000082162796 179349454 /nfs/dbraw/zinc/34/94/54/179349454.db2.gz KZNNLBUKIKANEV-MNOVXSKESA-N 1 0 218.300 1.173 10 0 BDAERO CC1(C(=O)N2CC[C@H]3[NH2+]CCC[C@@H]32)CC1 ZINC000616570890 348076344 /nfs/dbraw/zinc/07/63/44/348076344.db2.gz HQYJGSQXVMFZCX-ZJUUUORDSA-N 1 0 208.305 1.139 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226231232 490124310 /nfs/dbraw/zinc/12/43/10/490124310.db2.gz CAGYQNVTAUNZGQ-FDYHWXHSSA-N 1 0 227.348 1.431 10 0 BDAERO Cc1ccccc1[C@H]([C@@H](C)[NH3+])n1cncn1 ZINC000043037683 179346396 /nfs/dbraw/zinc/34/63/96/179346396.db2.gz DHPRJZLNGFMTLL-PWSUYJOCSA-N 1 0 216.288 1.523 10 0 BDAERO Cc1cccn(Cc2ccc(C[NH3+])cc2)c1=O ZINC000033513236 179351656 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538000718 /nfs/dbraw/zinc/00/07/18/538000718.db2.gz ODHGZEXSVSHAJX-CYBMUJFWSA-N 1 0 243.347 1.862 10 0 BDAERO C[C@H]1CSCC[N@@H+]1C[C@H]1CCCC1=O ZINC000251543190 362886031 /nfs/dbraw/zinc/88/60/31/362886031.db2.gz AVYZSPUINGBXOR-VHSXEESVSA-N 1 0 213.346 1.793 10 0 BDAERO CCC(C)(C)[NH2+]C[C@@]1(O)CCNCC1(F)F ZINC000669381980 538002397 /nfs/dbraw/zinc/00/23/97/538002397.db2.gz CSAWWFYYAYATDE-JTQLQIEISA-N 1 0 236.306 1.124 10 0 BDAERO CCOC(=O)[C@@H]1O[C@]12CCC[C@H]([NH+](C)C)C2 ZINC000669383170 538008468 /nfs/dbraw/zinc/00/84/68/538008468.db2.gz NTVBTCXQKJBXGG-NHCYSSNCSA-N 1 0 227.304 1.191 10 0 BDAERO C[C@@](F)(C[C@@H]1COCC[NH2+]1)C1CCC1 ZINC000161702063 348679127 /nfs/dbraw/zinc/67/91/27/348679127.db2.gz SWXVLRREHGOOQX-GHMZBOCLSA-N 1 0 201.285 1.893 10 0 BDAERO CSC1(C[NH2+]C2CC(CO)C2)CC1 ZINC000597246359 348689082 /nfs/dbraw/zinc/68/90/82/348689082.db2.gz SUMDMXSUZYTZBH-UHFFFAOYSA-N 1 0 201.335 1.243 10 0 BDAERO CN(C)c1ccc2c(c1)NC[C@]21C[C@H]1[NH3+] ZINC000725247138 538010857 /nfs/dbraw/zinc/01/08/57/538010857.db2.gz IPWOQVKMKPCIFH-VXGBXAGGSA-N 1 0 203.289 1.147 10 0 BDAERO [NH3+][C@@H]1C[C@]12CNc1cc(F)c(Cl)cc12 ZINC000725247611 538013417 /nfs/dbraw/zinc/01/34/17/538013417.db2.gz SAJACYZOZTUHLG-NXEZZACHSA-N 1 0 212.655 1.873 10 0 BDAERO [NH3+][C@H]1C[C@@]12CNc1cccc(Br)c12 ZINC000725247804 538012866 /nfs/dbraw/zinc/01/28/66/538012866.db2.gz YUOIWUKCMMIZIO-WCBMZHEXSA-N 1 0 239.116 1.843 10 0 BDAERO COc1cc2c(c(C)c1)NC[C@]21C[C@H]1[NH3+] ZINC000725247500 538014218 /nfs/dbraw/zinc/01/42/18/538014218.db2.gz OLMYQDOAAVBQNY-ZYHUDNBSSA-N 1 0 204.273 1.398 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1OC ZINC000054075670 348878051 /nfs/dbraw/zinc/87/80/51/348878051.db2.gz DBDLJIRHMBHTCE-SNVBAGLBSA-N 1 0 236.315 1.262 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCc1cccnc1 ZINC000054307511 348974054 /nfs/dbraw/zinc/97/40/54/348974054.db2.gz JGPIEJLSTYDASQ-ZDUSSCGKSA-N 1 0 247.342 1.130 10 0 BDAERO CN(Cc1ccco1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306064 348979189 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/nfs/dbraw/zinc/11/91/55/349119155.db2.gz NBQHHXHIKAZOPC-NWDGAFQWSA-N 1 0 226.389 1.708 10 0 BDAERO C1CC1[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000616578763 349127409 /nfs/dbraw/zinc/12/74/09/349127409.db2.gz PYILYUJYLCDGEX-MNOVXSKESA-N 1 0 212.362 1.318 10 0 BDAERO COC(=O)CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000599252878 349131350 /nfs/dbraw/zinc/13/13/50/349131350.db2.gz WHDAXGOMSWWAFB-QWRGUYRKSA-N 1 0 229.320 1.439 10 0 BDAERO Cc1csc(=O)n1CC[C@H]1CCCC[NH2+]1 ZINC000043499107 179763581 /nfs/dbraw/zinc/76/35/81/179763581.db2.gz QSLBVHFREPJOQC-SNVBAGLBSA-N 1 0 226.345 1.750 10 0 BDAERO CC[C@H](C)[C@@H]1C[S@](=O)CC[C@@H](C)[NH2+]1 ZINC000251849164 362942013 /nfs/dbraw/zinc/94/20/13/362942013.db2.gz MSWZHUHEJFWCAP-MPXOCVNLSA-N 1 0 203.351 1.532 10 0 BDAERO C[NH2+][C@H]1CCN2CCc3ccccc3[C@H]2C1 ZINC000250697372 349178099 /nfs/dbraw/zinc/17/80/99/349178099.db2.gz BWFYYQAZRHXEKS-GXTWGEPZSA-N 1 0 216.328 1.968 10 0 BDAERO C[NH2+]C[C@H](O)c1ccnn1C1CCCC1 ZINC000725253533 538037428 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/nfs/dbraw/zinc/09/04/26/350090426.db2.gz ZRHCXWFHJHQREL-SNVBAGLBSA-N 1 0 236.319 1.428 10 0 BDAERO Cc1nc(NC(=O)[C@H](C)C2C[NH2+]C2)sc1C ZINC000129185637 180012075 /nfs/dbraw/zinc/01/20/75/180012075.db2.gz DLHAPCSTVBEJMV-ZCFIWIBFSA-N 1 0 239.344 1.554 10 0 BDAERO CC(C)(C)NC(=O)NC[C@@H]([NH3+])C1CCCC1 ZINC000725255350 538051846 /nfs/dbraw/zinc/05/18/46/538051846.db2.gz ZJXTUOYXVIQZQN-SNVBAGLBSA-N 1 0 227.352 1.602 10 0 BDAERO COC[C@H](C)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103450815 323249560 /nfs/dbraw/zinc/24/95/60/323249560.db2.gz ZBQMWFMJAKDXHU-NSHDSACASA-N 1 0 242.363 1.069 10 0 BDAERO Cc1nc2c(s1)CCC[C@H]2C[NH2+]C1COC1 ZINC000309729817 180074090 /nfs/dbraw/zinc/07/40/90/180074090.db2.gz ZKAWJQRPZUIKPA-VIFPVBQESA-N 1 0 238.356 1.860 10 0 BDAERO CO[C@H](C)c1nsc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000304243842 350150780 /nfs/dbraw/zinc/15/07/80/350150780.db2.gz FBIWWNHQPQQVMR-XLPZGREQSA-N 1 0 244.364 1.783 10 0 BDAERO CCN(CC)C[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000304261244 350152395 /nfs/dbraw/zinc/15/23/95/350152395.db2.gz TWTHQOMQLSXFLP-VXGBXAGGSA-N 1 0 230.396 1.713 10 0 BDAERO CCc1nc(C)cc(N[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000304375757 350155818 /nfs/dbraw/zinc/15/58/18/350155818.db2.gz VOAIVVHNOTYDIW-IUCAKERBSA-N 1 0 222.336 1.885 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]CCCc1cncn1C ZINC000314295051 350170235 /nfs/dbraw/zinc/17/02/35/350170235.db2.gz FQMOQUBPLSURDY-ZYHUDNBSSA-N 1 0 223.320 1.120 10 0 BDAERO CSc1nccc(NC2CC[NH2+]CC2)n1 ZINC000095071856 191053535 /nfs/dbraw/zinc/05/35/35/191053535.db2.gz SULHBTXHYRMNPC-UHFFFAOYSA-N 1 0 224.333 1.362 10 0 BDAERO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068335 191053571 /nfs/dbraw/zinc/05/35/71/191053571.db2.gz MPWIZPYCHBDIQE-GHMZBOCLSA-N 1 0 207.321 1.807 10 0 BDAERO CSc1nccc(OC2CC[NH2+]CC2)n1 ZINC000095071870 191053742 /nfs/dbraw/zinc/05/37/42/191053742.db2.gz SZSAWYOAIMBHLE-UHFFFAOYSA-N 1 0 225.317 1.329 10 0 BDAERO Cc1nc2sc3c(n2n1)CC[NH2+][C@H]3C ZINC000028429453 180117211 /nfs/dbraw/zinc/11/72/11/180117211.db2.gz HUMCBPSDFOJQMW-YFKPBYRVSA-N 1 0 208.290 1.306 10 0 BDAERO Cc1ncc(CNC[C@@H]2CC[N@@H+](C)C2)s1 ZINC000037797621 180152882 /nfs/dbraw/zinc/15/28/82/180152882.db2.gz HZMALAUCVPILNF-JTQLQIEISA-N 1 0 225.361 1.493 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CN3CCC2CC3)s1 ZINC000037797053 180156459 /nfs/dbraw/zinc/15/64/59/180156459.db2.gz WSWRCRPVNRINNS-GFCCVEGCSA-N 1 0 237.372 1.635 10 0 BDAERO Cc1ncc([C@@H]2[C@@H]([NH3+])CCCN2C)s1 ZINC000076643714 180173692 /nfs/dbraw/zinc/17/36/92/180173692.db2.gz NJIMDEYKEKJOQF-WPRPVWTQSA-N 1 0 211.334 1.546 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)C1CCC1 ZINC000316676931 350222385 /nfs/dbraw/zinc/22/23/85/350222385.db2.gz YPQMTWAXZOEYIM-WDEREUQCSA-N 1 0 215.337 1.144 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)C1CCC1 ZINC000316676928 350222633 /nfs/dbraw/zinc/22/26/33/350222633.db2.gz YPQMTWAXZOEYIM-QWRGUYRKSA-N 1 0 215.337 1.144 10 0 BDAERO Cc1nccc(N[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000054936779 180203979 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/nfs/dbraw/zinc/78/93/20/350789320.db2.gz PXVQLFLVDJHOIZ-CQSZACIVSA-N 1 0 247.342 1.611 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](Nc2ccccn2)C1 ZINC000616603805 350790175 /nfs/dbraw/zinc/79/01/75/350790175.db2.gz IKGKATYDQQOTQX-LBPRGKRZSA-N 1 0 235.331 1.340 10 0 BDAERO C[C@@H]([NH2+]C[C@H](C)O)[C@H](C)NC(=O)OC(C)(C)C ZINC000306674293 350822961 /nfs/dbraw/zinc/82/29/61/350822961.db2.gz QCONZSAGQGFNEB-AEJSXWLSSA-N 1 0 246.351 1.259 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2ccno2)C1 ZINC000616604498 350793396 /nfs/dbraw/zinc/79/33/96/350793396.db2.gz QIAZIPNFRQQKLU-JTQLQIEISA-N 1 0 209.293 1.203 10 0 BDAERO Nc1ccc([C@@H]2CCCN2CC[NH3+])cc1 ZINC000616607787 350802449 /nfs/dbraw/zinc/80/24/49/350802449.db2.gz MNSJWGBGEARMPH-LBPRGKRZSA-N 1 0 205.305 1.364 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616610611 350806374 /nfs/dbraw/zinc/80/63/74/350806374.db2.gz NFJKHLJDTCXFOX-LLVKDONJSA-N 1 0 232.327 1.985 10 0 BDAERO C[C@@H]1[C@@H]([NH2+]C2CSC2)CCCN1C ZINC000306700397 350848956 /nfs/dbraw/zinc/84/89/56/350848956.db2.gz FPTAKRDUFMPEQP-SCZZXKLOSA-N 1 0 200.351 1.174 10 0 BDAERO CO[C@@H]1CCC[C@H]1[NH+]1CCC2(CC1)OCCO2 ZINC000306700552 350849597 /nfs/dbraw/zinc/84/95/97/350849597.db2.gz FREWXNPPDXIIER-VXGBXAGGSA-N 1 0 241.331 1.393 10 0 BDAERO CC[C@]([NH3+])(COC)C(=O)NCc1ccccc1 ZINC000306700671 350850281 /nfs/dbraw/zinc/85/02/81/350850281.db2.gz JTNUTSQYBJFMAS-ZDUSSCGKSA-N 1 0 236.315 1.057 10 0 BDAERO C[C@H]1CC[C@@H]1[NH2+]C1CCS(=O)CC1 ZINC000306700710 350850448 /nfs/dbraw/zinc/85/04/48/350850448.db2.gz DVJSBIYBHAAQRZ-SVPDRVBRSA-N 1 0 201.335 1.286 10 0 BDAERO [NH3+]CC1([C@H](O)[C@@H]2CCCSC2)CC1 ZINC000306708845 350857616 /nfs/dbraw/zinc/85/76/16/350857616.db2.gz UCITULNDNNJRNQ-RKDXNWHRSA-N 1 0 201.335 1.229 10 0 BDAERO Cc1csc([C@]2([NH3+])CSC[C@@H]2C)n1 ZINC000306709265 350860116 /nfs/dbraw/zinc/86/01/16/350860116.db2.gz QLCLLIWSXKHVJM-RCOVLWMOSA-N 1 0 214.359 1.988 10 0 BDAERO CC[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000251915297 362985623 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1.787 10 0 BDAERO CN[C@@H](C[NH3+])c1cc(F)cc(Cl)c1 ZINC000168281964 351366507 /nfs/dbraw/zinc/36/65/07/351366507.db2.gz DYMUNZZYGCMRNE-VIFPVBQESA-N 1 0 202.660 1.698 10 0 BDAERO C[NH2+]C1(C(N)=O)CC(C)(C)CC(C)(C)C1 ZINC000168299853 351367742 /nfs/dbraw/zinc/36/77/42/351367742.db2.gz KUCSGTZVXQRSCI-UHFFFAOYSA-N 1 0 212.337 1.666 10 0 BDAERO C[C@@H]1CCSC(NCc2ncon2)=[NH+]1 ZINC000231842824 351405421 /nfs/dbraw/zinc/40/54/21/351405421.db2.gz HIVBJULTSYIBHV-ZCFIWIBFSA-N 1 0 212.278 1.041 10 0 BDAERO Cc1nc(C)c([C@H](O)[C@H]2C=CC[NH2+]2)s1 ZINC000306979033 351397583 /nfs/dbraw/zinc/39/75/83/351397583.db2.gz BKAGMHJNKREXHL-RKDXNWHRSA-N 1 0 210.302 1.321 10 0 BDAERO Cn1ccnc1[C@H]([NH3+])Cc1cccs1 ZINC000069029725 351339545 /nfs/dbraw/zinc/33/95/45/351339545.db2.gz QFKZZVPYNFJYLM-SECBINFHSA-N 1 0 207.302 1.724 10 0 BDAERO CC(C)(O)CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000380090373 351349408 /nfs/dbraw/zinc/34/94/08/351349408.db2.gz IRKZJTXFRHJBCG-ZYHUDNBSSA-N 1 0 215.337 1.288 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N1CCC[C@H]1C ZINC000252093718 363026539 /nfs/dbraw/zinc/02/65/39/363026539.db2.gz FCCPPBZYRYRQAQ-OPRDCNLKSA-N 1 0 200.351 1.174 10 0 BDAERO CC(C)CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000034938640 351352947 /nfs/dbraw/zinc/35/29/47/351352947.db2.gz UKHYEOSXLAEMNO-RYUDHWBXSA-N 1 0 242.363 1.306 10 0 BDAERO CCCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000034938629 351353332 /nfs/dbraw/zinc/35/33/32/351353332.db2.gz KJBKEHYBGMCFPX-VXGBXAGGSA-N 1 0 242.363 1.450 10 0 BDAERO CCOc1ccc([C@H]([NH3+])c2cnn(C)c2)cc1 ZINC000034957710 351362997 /nfs/dbraw/zinc/36/29/97/351362997.db2.gz GHKVAZZHDSYYBH-ZDUSSCGKSA-N 1 0 231.299 1.867 10 0 BDAERO O[C@@H](c1occc1Br)[C@@H]1C=CC[NH2+]1 ZINC000307026654 351434521 /nfs/dbraw/zinc/43/45/21/351434521.db2.gz YPCIDDWVXRFSKY-JGVFFNPUSA-N 1 0 244.088 1.604 10 0 BDAERO [NH3+][C@@H](c1cscn1)[C@H]1CSCCO1 ZINC000307044928 351446290 /nfs/dbraw/zinc/44/62/90/351446290.db2.gz UROXLPCTELPWQC-SFYZADRCSA-N 1 0 216.331 1.275 10 0 BDAERO Cc1nc(C2(C[NH3+])CC2)ncc1Br ZINC000307056180 351456040 /nfs/dbraw/zinc/45/60/40/351456040.db2.gz BLZBRLSKYVJSFG-UHFFFAOYSA-N 1 0 242.120 1.538 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@]1(F)C1CCOCC1 ZINC000307058515 351458426 /nfs/dbraw/zinc/45/84/26/351458426.db2.gz GICNBBWAHJDQOC-ONGXEEELSA-N 1 0 201.285 1.751 10 0 BDAERO CCn1ncc(Br)c1C1C[NH2+]C1 ZINC000307067727 351463462 /nfs/dbraw/zinc/46/34/62/351463462.db2.gz YOUIOHLBJFGZGN-UHFFFAOYSA-N 1 0 230.109 1.352 10 0 BDAERO C[C@]1(CNC2=[NH+]CCCS2)CCOC1 ZINC000306993006 351409567 /nfs/dbraw/zinc/40/95/67/351409567.db2.gz XXTKGTUOOFFQHP-SNVBAGLBSA-N 1 0 214.334 1.496 10 0 BDAERO CC1(Nc2ccncc2Br)C[NH2+]C1 ZINC000307011198 351419133 /nfs/dbraw/zinc/41/91/33/351419133.db2.gz KRCLSWSINYVWIJ-UHFFFAOYSA-N 1 0 242.120 1.618 10 0 BDAERO CSC1([C@H](O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000307147513 351500688 /nfs/dbraw/zinc/50/06/88/351500688.db2.gz OFIZAKXGBZGEDJ-LPEHRKFASA-N 1 0 215.362 1.631 10 0 BDAERO Clc1ccnc(OC[C@H]2CC[NH2+]C2)n1 ZINC000095070162 180596881 /nfs/dbraw/zinc/59/68/81/180596881.db2.gz BKAIKNOLTCZGJU-ZETCQYMHSA-N 1 0 213.668 1.118 10 0 BDAERO Clc1cnc(OC[C@@H]2CCCC[NH2+]2)nc1 ZINC000095070047 180598737 /nfs/dbraw/zinc/59/87/37/180598737.db2.gz MXEWJZNTTUZRSJ-VIFPVBQESA-N 1 0 227.695 1.651 10 0 BDAERO C[C@H]1OCC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307109146 351479876 /nfs/dbraw/zinc/47/98/76/351479876.db2.gz KHCVOUUDMYKYCK-ZYHUDNBSSA-N 1 0 233.315 1.478 10 0 BDAERO CS(C)(=O)=NC[C@@H]1CCCCC[NH2+]1 ZINC000307121705 351489712 /nfs/dbraw/zinc/48/97/12/351489712.db2.gz JYZHGWYKYPTVLL-VIFPVBQESA-N 1 0 204.339 1.246 10 0 BDAERO C[C@@H]1C[C@@H](NC2=[NH+]C[C@H](C)S2)CS1 ZINC000307124930 351491704 /nfs/dbraw/zinc/49/17/04/351491704.db2.gz SNBAFOCTZDULPI-GJMOJQLCSA-N 1 0 216.375 1.961 10 0 BDAERO [NH3+]C1CC(N2CCC=C(Br)C2)C1 ZINC000404389787 363060381 /nfs/dbraw/zinc/06/03/81/363060381.db2.gz LVZPGLHSXNKYMR-UHFFFAOYSA-N 1 0 231.137 1.461 10 0 BDAERO CC[C@@H]1C[S@](=O)C[C@H](C2CCC2)[NH2+]1 ZINC000307166771 351536936 /nfs/dbraw/zinc/53/69/36/351536936.db2.gz PVZURRGRKCZWEC-BREBYQMCSA-N 1 0 201.335 1.286 10 0 BDAERO OC[C@@H]1[NH2+]CC[C@H]1c1ncc(Cl)s1 ZINC000307170062 351544384 /nfs/dbraw/zinc/54/43/84/351544384.db2.gz ZTHWVPGWQYBAAJ-RITPCOANSA-N 1 0 218.709 1.234 10 0 BDAERO C[C@H]([NH3+])c1nnc([C@@]2(C)C[C@@H]2F)s1 ZINC000307194715 351595299 /nfs/dbraw/zinc/59/52/99/351595299.db2.gz KEAYPACNLPMGRI-YQJDLUKNSA-N 1 0 201.270 1.557 10 0 BDAERO [NH3+]CC1(CO)CC(Cc2ccccc2F)C1 ZINC000606302522 351556544 /nfs/dbraw/zinc/55/65/44/351556544.db2.gz OILDVWCYFWMZFW-UHFFFAOYSA-N 1 0 223.291 1.716 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC12CC2 ZINC000637816551 351657214 /nfs/dbraw/zinc/65/72/14/351657214.db2.gz JBCHPUAUGDPPEF-RYUDHWBXSA-N 1 0 236.359 1.907 10 0 BDAERO c1c([C@@H]2CC[NH2+]C2)nnn1Cc1ccccc1 ZINC000404643634 351723893 /nfs/dbraw/zinc/72/38/93/351723893.db2.gz NBTZPMRXHUMDEC-GFCCVEGCSA-N 1 0 228.299 1.403 10 0 BDAERO CC(C)[C@@H](C)[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000089682285 535166669 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/nfs/dbraw/zinc/84/45/66/351844566.db2.gz HQUDTROJVXMQDZ-KBPBESRZSA-N 1 0 235.327 1.693 10 0 BDAERO C[NH2+]C[C@]1(C)CC[C@@H](c2csnn2)O1 ZINC000307283784 351848838 /nfs/dbraw/zinc/84/88/38/351848838.db2.gz MLZKLDAGZPIIGU-IUCAKERBSA-N 1 0 213.306 1.368 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccns1 ZINC000637995918 351873911 /nfs/dbraw/zinc/87/39/11/351873911.db2.gz KAECSUWZDKHJGB-SNVBAGLBSA-N 1 0 226.345 1.880 10 0 BDAERO O[C@H]1CC[NH2+]C[C@@H]1CC(F)(F)C(F)F ZINC000307296394 351906901 /nfs/dbraw/zinc/90/69/01/351906901.db2.gz QVYOWGWKWVZKJE-WDSKDSINSA-N 1 0 215.190 1.247 10 0 BDAERO Cc1nnc(N2CCC(CC[NH3+])CC2)s1 ZINC000083584875 351983259 /nfs/dbraw/zinc/98/32/59/351983259.db2.gz VCFOUICITICNNJ-UHFFFAOYSA-N 1 0 226.349 1.412 10 0 BDAERO C[C@H]1C[C@H](CN=S(C)(C)=O)CC[NH2+]1 ZINC000307334965 352054119 /nfs/dbraw/zinc/05/41/19/352054119.db2.gz DNJXJETUBPLGOR-DTWKUNHWSA-N 1 0 204.339 1.102 10 0 BDAERO Cc1cocc1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000638193825 352058576 /nfs/dbraw/zinc/05/85/76/352058576.db2.gz YSHPUJJQAYYHGM-LLVKDONJSA-N 1 0 236.315 1.802 10 0 BDAERO N[C@H]1C[NH2+]CC[C@@H]1c1c(F)cccc1Cl ZINC000725270051 538102053 /nfs/dbraw/zinc/10/20/53/538102053.db2.gz DMHRTMBADXCUHQ-XVKPBYJWSA-N 1 0 228.698 1.883 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1cscc1Cl ZINC000638221935 352081485 /nfs/dbraw/zinc/08/14/85/352081485.db2.gz LMHSLDIZDFHHKG-ZCFIWIBFSA-N 1 0 232.736 1.739 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCC12CC2 ZINC000638231946 352084553 /nfs/dbraw/zinc/08/45/53/352084553.db2.gz BGZJZVHTZHDBFZ-GMTAPVOTSA-N 1 0 222.332 1.515 10 0 BDAERO c1cnc(S[C@@H]2CCC[NH2+]CC2)cn1 ZINC000300909845 363115965 /nfs/dbraw/zinc/11/59/65/363115965.db2.gz XFAFBMDSBYNKNR-SECBINFHSA-N 1 0 209.318 1.711 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2nc(C(C)C)ns2)C1 ZINC000083670627 352303248 /nfs/dbraw/zinc/30/32/48/352303248.db2.gz CHPFAQGAINVDFI-VIFPVBQESA-N 1 0 240.376 1.707 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCC1CC=CC1 ZINC000638493849 352307518 /nfs/dbraw/zinc/30/75/18/352307518.db2.gz NIKQIVUGXMNIOS-GFCCVEGCSA-N 1 0 222.332 1.459 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1CC=CC1 ZINC000638493799 352311534 /nfs/dbraw/zinc/31/15/34/352311534.db2.gz LTOLEVMXFUCGLD-NSHDSACASA-N 1 0 210.321 1.442 10 0 BDAERO OC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)C1 ZINC000725271161 538103201 /nfs/dbraw/zinc/10/32/01/538103201.db2.gz IDXDNQLTNUDXRX-BJJPWKGXSA-N 1 0 237.343 1.258 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCC[NH2+]CCOCC1 ZINC000725270868 538103036 /nfs/dbraw/zinc/10/30/36/538103036.db2.gz GGSPYBYPVUMOKR-GFCCVEGCSA-N 1 0 242.363 1.261 10 0 BDAERO CCCC(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725271605 538103474 /nfs/dbraw/zinc/10/34/74/538103474.db2.gz IFCZLAQHPVJYAJ-LLVKDONJSA-N 1 0 240.347 1.156 10 0 BDAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000638629011 352469030 /nfs/dbraw/zinc/46/90/30/352469030.db2.gz DKBGCWGMNDPEBS-ZJUUUORDSA-N 1 0 246.301 1.632 10 0 BDAERO C[C@@H]1CC(F)(F)CCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000638631406 352472141 /nfs/dbraw/zinc/47/21/41/352472141.db2.gz RRNBZXOVVQIMFX-RKDXNWHRSA-N 1 0 232.274 1.242 10 0 BDAERO COc1nc([C@](C)([NH3+])C(C)C)cs1 ZINC000307374041 352472774 /nfs/dbraw/zinc/47/27/74/352472774.db2.gz XGQUZFNHQAJFLI-SECBINFHSA-N 1 0 200.307 1.982 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)C1(C)CC1 ZINC000725272026 538103604 /nfs/dbraw/zinc/10/36/04/538103604.db2.gz YEIZOBFPGGBCDT-VHSXEESVSA-N 1 0 210.321 1.148 10 0 BDAERO CN(C)CC(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725271804 538103648 /nfs/dbraw/zinc/10/36/48/538103648.db2.gz SYTSMAKMYGTKPE-NSHDSACASA-N 1 0 233.315 1.133 10 0 BDAERO C[C@@H]1C[N@@H+]([C@H]2CCC[C@@]34C[C@@H](CO3)[C@@H]24)CCN1 ZINC000725272163 538103671 /nfs/dbraw/zinc/10/36/71/538103671.db2.gz YYRPQUCSZHAQDE-QMVSFRDZSA-N 1 0 236.359 1.238 10 0 BDAERO O[C@H](c1sccc1Cl)[C@@H]1C=CC[NH2+]1 ZINC000307389486 352546767 /nfs/dbraw/zinc/54/67/67/352546767.db2.gz QVEJNUDQHQRBBE-YUMQZZPRSA-N 1 0 215.705 1.963 10 0 BDAERO CCC[C@H](C)C(=O)N1CCN=C1CC[NH2+]C ZINC000725272814 538104074 /nfs/dbraw/zinc/10/40/74/538104074.db2.gz RNNNPJGDMPCOIM-JTQLQIEISA-N 1 0 225.336 1.273 10 0 BDAERO CC[NH2+]C[C@H]1CC[C@H](C(=O)OCC)CC1 ZINC000725272498 538104080 /nfs/dbraw/zinc/10/40/80/538104080.db2.gz NADSWOAAWNPGPE-XYPYZODXSA-N 1 0 213.321 1.965 10 0 BDAERO C[C@@H]1CCCCN1C1(C[NH3+])CSC1 ZINC000307421572 352590679 /nfs/dbraw/zinc/59/06/79/352590679.db2.gz RQXXKADVONWPOS-SECBINFHSA-N 1 0 200.351 1.305 10 0 BDAERO C[C@@]1(NC(=[NH2+])NCc2ccccc2)CCCOC1 ZINC000307420837 352590742 /nfs/dbraw/zinc/59/07/42/352590742.db2.gz HOAXQYUPMIDOIR-CQSZACIVSA-N 1 0 247.342 1.870 10 0 BDAERO C[C@H]1CC[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000307425179 352592603 /nfs/dbraw/zinc/59/26/03/352592603.db2.gz QLISHSZCFPAMQA-SMDDNHRTSA-N 1 0 229.327 1.986 10 0 BDAERO [NH3+]Cc1c[nH]nc1NC(=O)NCc1ccccc1 ZINC000232303892 352610329 /nfs/dbraw/zinc/61/03/29/352610329.db2.gz PMCAVNPSXSRIFH-UHFFFAOYSA-N 1 0 245.286 1.190 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C2CSC2)C1 ZINC000307466954 352616309 /nfs/dbraw/zinc/61/63/09/352616309.db2.gz KGGZYYHLRBLVDA-RKDXNWHRSA-N 1 0 200.351 1.161 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1[C@@H]1CCS[C@H]1C ZINC000300353325 352559524 /nfs/dbraw/zinc/55/95/24/352559524.db2.gz WJHLQBSDOBGOST-GARJFASQSA-N 1 0 214.378 1.564 10 0 BDAERO Cc1cc(N)[nH+]cc1Cn1nnc2ccccc21 ZINC000005379578 187757632 /nfs/dbraw/zinc/75/76/32/187757632.db2.gz UWBNXIZZYUKVBO-UHFFFAOYSA-N 1 0 239.282 1.765 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC1(C(F)F)CC1 ZINC000638727267 352585695 /nfs/dbraw/zinc/58/56/95/352585695.db2.gz ZCNYMTPORKXJSJ-ZETCQYMHSA-N 1 0 220.263 1.274 10 0 BDAERO C[NH2+]C[C@]1([C@@H]2CCOC2)CCCS1 ZINC000307535899 352640070 /nfs/dbraw/zinc/64/00/70/352640070.db2.gz SFSDFVGQNJPIRX-ZJUUUORDSA-N 1 0 201.335 1.508 10 0 BDAERO C[C@@H](CC(N)=S)[N@@H+]1CCC2(CCC2)C1 ZINC000307540515 352644359 /nfs/dbraw/zinc/64/43/59/352644359.db2.gz WFAAHTIQSVONPL-VIFPVBQESA-N 1 0 212.362 1.927 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@]1(C)C1CCCC1 ZINC000229213081 352652654 /nfs/dbraw/zinc/65/26/54/352652654.db2.gz DMJBSBZZINKPGI-CMPLNLGQSA-N 1 0 211.305 1.575 10 0 BDAERO COc1ccc(C(=O)[C@]2(C)CC[NH2+]C2)s1 ZINC000307589108 352661508 /nfs/dbraw/zinc/66/15/08/352661508.db2.gz ZLOBHJUYJZBSAY-LLVKDONJSA-N 1 0 225.313 1.939 10 0 BDAERO COc1ccc([C@H](O)[C@H](C)C[NH3+])cc1C ZINC000082376064 187776118 /nfs/dbraw/zinc/77/61/18/187776118.db2.gz IDSYFPTUUCJTGA-BXKDBHETSA-N 1 0 209.289 1.632 10 0 BDAERO C[NH2+]C[C@@H]1CCCO[C@@H]1c1csnn1 ZINC000307601295 352667823 /nfs/dbraw/zinc/66/78/23/352667823.db2.gz USFFMSKTSSSHEM-CBAPKCEASA-N 1 0 213.306 1.225 10 0 BDAERO CC[N@@H+]1CC[C@@](O)(c2ccsc2C)C1 ZINC000307481837 352620161 /nfs/dbraw/zinc/62/01/61/352620161.db2.gz QBMHOJNEWSVUPD-NSHDSACASA-N 1 0 211.330 1.970 10 0 BDAERO Cc1ccc(OCC[C@H]2CCC[NH2+]C2)nn1 ZINC000051918475 187781233 /nfs/dbraw/zinc/78/12/33/187781233.db2.gz DEZUZSABIUAEOH-LLVKDONJSA-N 1 0 221.304 1.554 10 0 BDAERO Cc1nn(Cc2ccc(C[NH3+])o2)c(C)c1C ZINC000052577742 187781787 /nfs/dbraw/zinc/78/17/87/187781787.db2.gz GGLUAZQQPWMDAL-UHFFFAOYSA-N 1 0 219.288 1.908 10 0 BDAERO Brc1cncc(C[C@@H]2C=CC[NH2+]2)c1 ZINC000307495991 352625334 /nfs/dbraw/zinc/62/53/34/352625334.db2.gz BUPOTJGGIHQHTG-JTQLQIEISA-N 1 0 239.116 1.915 10 0 BDAERO Cc1cnc(N(CCC[NH3+])C2CCCC2)nc1 ZINC000063048350 187785028 /nfs/dbraw/zinc/78/50/28/187785028.db2.gz FWZTXJQPJGPPNS-UHFFFAOYSA-N 1 0 234.347 1.883 10 0 BDAERO C[C@@H]1CN[C@@]2(CCC[NH2+][C@H]2C)SC1 ZINC000307502282 352630407 /nfs/dbraw/zinc/63/04/07/352630407.db2.gz NZXZOUDNCMHMCW-UTLUCORTSA-N 1 0 200.351 1.427 10 0 BDAERO CC1(Nc2nc(Br)cs2)C[NH2+]C1 ZINC000307512740 352632258 /nfs/dbraw/zinc/63/22/58/352632258.db2.gz YGKWTVJAHMQGFC-UHFFFAOYSA-N 1 0 248.149 1.679 10 0 BDAERO C[C@]1([C@@H](O)[C@H]2CCCC[NH2+]2)CCCS1 ZINC000307518030 352632796 /nfs/dbraw/zinc/63/27/96/352632796.db2.gz KLENKCUGFWMWBP-OUAUKWLOSA-N 1 0 215.362 1.775 10 0 BDAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ccc(N(C)C)cc1 ZINC000071524573 187787250 /nfs/dbraw/zinc/78/72/50/187787250.db2.gz VNPAELAGPUXMMJ-STQMWFEESA-N 1 0 222.332 1.769 10 0 BDAERO COc1ccc([C@@H](O)[C@H]([NH3+])C(C)C)c(OC)c1 ZINC000071549456 187787774 /nfs/dbraw/zinc/78/77/74/187787774.db2.gz ZNXZELMAAAFUBO-CHWSQXEVSA-N 1 0 239.315 1.721 10 0 BDAERO CSc1nccc(NC[C@H]2CCC[NH2+]C2)n1 ZINC000095071862 187800596 /nfs/dbraw/zinc/80/05/96/187800596.db2.gz RVMWVZNZDFAUCY-VIFPVBQESA-N 1 0 238.360 1.610 10 0 BDAERO Cc1cnc(C)c(N2CCC[C@H]2C[NH3+])n1 ZINC000053663403 187819754 /nfs/dbraw/zinc/81/97/54/187819754.db2.gz HOSAKDJVWXNCOS-JTQLQIEISA-N 1 0 206.293 1.021 10 0 BDAERO C1CCc2sc(N3CC[NH2+]CC3)nc2C1 ZINC000041243487 187803939 /nfs/dbraw/zinc/80/39/39/187803939.db2.gz BXPRVHHXDIBDDE-UHFFFAOYSA-N 1 0 223.345 1.432 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCCC1=CCCCC1 ZINC000104207781 187804469 /nfs/dbraw/zinc/80/44/69/187804469.db2.gz CHBFJYAGSHLOEO-WCQYABFASA-N 1 0 236.359 1.849 10 0 BDAERO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(O)cc1 ZINC000104303065 187804942 /nfs/dbraw/zinc/80/49/42/187804942.db2.gz DIYNBIHHMHKVAB-NSHDSACASA-N 1 0 236.315 1.495 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCOCC3CC3)C[C@H]2C1 ZINC000412030789 191240805 /nfs/dbraw/zinc/24/08/05/191240805.db2.gz AHPQRUJWIQZCBH-BFHYXJOUSA-N 1 0 239.359 1.506 10 0 BDAERO Cc1ccc(OCC[C@@H](O)C[NH3+])c(C)c1 ZINC000019668544 187826063 /nfs/dbraw/zinc/82/60/63/187826063.db2.gz CVPCDKYOTXTCKR-LLVKDONJSA-N 1 0 209.289 1.392 10 0 BDAERO CC[C@H]([NH2+]CC1(CO)COC1)[C@H]1C[C@@H]1C ZINC000638781549 352733618 /nfs/dbraw/zinc/73/36/18/352733618.db2.gz FPQOQYVOKKHXJZ-DCAQKATOSA-N 1 0 213.321 1.020 10 0 BDAERO COC[C@H]([NH2+][C@@H]1C[C@H]1C)C1CCOCC1 ZINC000187954199 352806941 /nfs/dbraw/zinc/80/69/41/352806941.db2.gz IWDXXHGRPQJFMR-JLLWLGSASA-N 1 0 213.321 1.426 10 0 BDAERO CCCCOCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336748906 352980423 /nfs/dbraw/zinc/98/04/23/352980423.db2.gz YIXTWYACJCXCGM-MNOVXSKESA-N 1 0 228.336 1.060 10 0 BDAERO c1ccc2c(c1)C[NH2+]CC1(CCOCC1)O2 ZINC000019375593 538106340 /nfs/dbraw/zinc/10/63/40/538106340.db2.gz CFJJLQINJPGIPA-UHFFFAOYSA-N 1 0 219.284 1.718 10 0 BDAERO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000638809767 352988607 /nfs/dbraw/zinc/98/86/07/352988607.db2.gz XPNWQNLYIMGYDB-WYUUTHIRSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)N1[C@H]1CCSC1 ZINC000306538618 353022955 /nfs/dbraw/zinc/02/29/55/353022955.db2.gz PFEAKTDRIFNOBD-AEJSXWLSSA-N 1 0 200.351 1.174 10 0 BDAERO CC[C@](C)(NC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000638858395 353035053 /nfs/dbraw/zinc/03/50/53/353035053.db2.gz OTKPXBSNSQPREH-SKDRFNHKSA-N 1 0 210.321 1.291 10 0 BDAERO OCc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000638859210 353036249 /nfs/dbraw/zinc/03/62/49/353036249.db2.gz ZRDUPHKGXMXZHL-ZIAGYGMSSA-N 1 0 235.327 1.572 10 0 BDAERO C[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000638891148 353059566 /nfs/dbraw/zinc/05/95/66/353059566.db2.gz SVIQIJCCNIVJBL-SFYZADRCSA-N 1 0 238.253 1.382 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C[NH3+] ZINC000638904867 353060322 /nfs/dbraw/zinc/06/03/22/353060322.db2.gz SJGFUOVBKHYSAM-ZIQFBCGOSA-N 1 0 222.332 1.086 10 0 BDAERO C[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)C[C@@H]1C[NH3+] ZINC000638905289 353060426 /nfs/dbraw/zinc/06/04/26/353060426.db2.gz SPOHZNACZKWNCO-UTUOFQBUSA-N 1 0 222.332 1.396 10 0 BDAERO C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1C[NH3+] ZINC000638898993 353061682 /nfs/dbraw/zinc/06/16/82/353061682.db2.gz OJFWNBKHUPNUES-JOYOIKCWSA-N 1 0 236.359 1.476 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1O ZINC000638903176 353064335 /nfs/dbraw/zinc/06/43/35/353064335.db2.gz NQWZKPPNDHANPF-CMPLNLGQSA-N 1 0 248.326 1.367 10 0 BDAERO C[C@@H]1CN(C(=O)CC2=CCCCC2)C[C@@H]1C[NH3+] ZINC000638907085 353068138 /nfs/dbraw/zinc/06/81/38/353068138.db2.gz ZBDBGPXMBSMWHD-YPMHNXCESA-N 1 0 236.359 1.930 10 0 BDAERO C[C@H]1CN(C(=O)CCc2ccccn2)C[C@H]1C[NH3+] ZINC000638888593 353050008 /nfs/dbraw/zinc/05/00/08/353050008.db2.gz BORDWZNSBDUCCP-NWDGAFQWSA-N 1 0 247.342 1.067 10 0 BDAERO Cc1cccc(C)c1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638888568 353050076 /nfs/dbraw/zinc/05/00/76/353050076.db2.gz BMLJZOPHKXNZIG-STQMWFEESA-N 1 0 246.354 1.970 10 0 BDAERO C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1C[NH3+] ZINC000638888592 353050219 /nfs/dbraw/zinc/05/02/19/353050219.db2.gz BORDWZNSBDUCCP-NEPJUHHUSA-N 1 0 247.342 1.067 10 0 BDAERO CCC(CC)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638889039 353050223 /nfs/dbraw/zinc/05/02/23/353050223.db2.gz ZRRDENFEPBXQDA-KOLCDFICSA-N 1 0 212.337 1.476 10 0 BDAERO Cc1cc(C)cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638884144 353051217 /nfs/dbraw/zinc/05/12/17/353051217.db2.gz FSKWEGXAWZFURK-GXTWGEPZSA-N 1 0 246.354 1.970 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000638884358 353051402 /nfs/dbraw/zinc/05/14/02/353051402.db2.gz HELVUIOJNDBFPN-ONGXEEELSA-N 1 0 236.290 1.493 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1C[NH3+] ZINC000638884212 353051644 /nfs/dbraw/zinc/05/16/44/353051644.db2.gz BGXKVWCYMUTLAX-SFYZADRCSA-N 1 0 242.706 1.600 10 0 BDAERO Cc1cccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638884628 353052215 /nfs/dbraw/zinc/05/22/15/353052215.db2.gz IAOFXAZEYXVUPQ-YPMHNXCESA-N 1 0 232.327 1.662 10 0 BDAERO C[C@H]1CN(C(=O)c2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000638885913 353052672 /nfs/dbraw/zinc/05/26/72/353052672.db2.gz OVQSCIJXLJHKQC-ONGXEEELSA-N 1 0 236.290 1.493 10 0 BDAERO Cc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000638886774 353053469 /nfs/dbraw/zinc/05/34/69/353053469.db2.gz SOSXJZNJMLREQN-DGCLKSJQSA-N 1 0 246.354 1.970 10 0 BDAERO Cc1ncc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000638892892 353054068 /nfs/dbraw/zinc/05/40/68/353054068.db2.gz KDISPKBJTFUPSP-CBAPKCEASA-N 1 0 239.344 1.118 10 0 BDAERO Cc1ncsc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638896217 353057193 /nfs/dbraw/zinc/05/71/93/353057193.db2.gz XUCDNAFHHDXQRN-IONNQARKSA-N 1 0 239.344 1.118 10 0 BDAERO C[C@@H]1[C@H](C)OCC[N@@H+]1C1CCC(=O)CC1 ZINC000307715130 353108123 /nfs/dbraw/zinc/10/81/23/353108123.db2.gz GWVOXDYDGKERLJ-ZJUUUORDSA-N 1 0 211.305 1.607 10 0 BDAERO [NH3+]C1(C(=O)Cc2csnn2)CCCCC1 ZINC000307724716 353112801 /nfs/dbraw/zinc/11/28/01/353112801.db2.gz ZGHPEMPMVDMNAL-UHFFFAOYSA-N 1 0 225.317 1.311 10 0 BDAERO O[C@H](c1ccc(Br)s1)C1C[NH2+]C1 ZINC000307734220 353098659 /nfs/dbraw/zinc/09/86/59/353098659.db2.gz OVRWHBOQIGQYHP-QMMMGPOBSA-N 1 0 248.145 1.763 10 0 BDAERO CC(C)[C@](C)(O)[C@@]1(C[NH3+])CCCOC1 ZINC000218715656 353141332 /nfs/dbraw/zinc/14/13/32/353141332.db2.gz MCAIYAAHONBSNK-WDEREUQCSA-N 1 0 201.310 1.149 10 0 BDAERO NC(=S)[C@@H]1CCC[N@@H+]1[C@H]1CCSC1 ZINC000405225453 353146397 /nfs/dbraw/zinc/14/63/97/353146397.db2.gz CWKKMBDVCVUHME-YUMQZZPRSA-N 1 0 216.375 1.242 10 0 BDAERO C1C[C@@H](SC2=[NH+]CCCN2)CS1 ZINC000405250998 353152271 /nfs/dbraw/zinc/15/22/71/353152271.db2.gz JSSABUUFNKWBMJ-SSDOTTSWSA-N 1 0 202.348 1.574 10 0 BDAERO CC(C)OC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000232663206 353155754 /nfs/dbraw/zinc/15/57/54/353155754.db2.gz QMKGRWGOOPGFGO-RKDXNWHRSA-N 1 0 200.282 1.262 10 0 BDAERO C[C@H](C[S@](C)=O)[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000398838935 353166672 /nfs/dbraw/zinc/16/66/72/353166672.db2.gz IQZAUQBRMBRQAW-JBBSTSQOSA-N 1 0 247.404 1.236 10 0 BDAERO FC(F)(F)C(F)(F)O[C@@H]1CCC[NH2+]C1 ZINC000057218984 180877876 /nfs/dbraw/zinc/87/78/76/180877876.db2.gz MZZLGEFPQPNLTA-RXMQYKEDSA-N 1 0 219.153 1.910 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000121364119 324012808 /nfs/dbraw/zinc/01/28/08/324012808.db2.gz LJIKXHQFXQLEJM-IRCOFANPSA-N 1 0 212.337 1.236 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CCOC1 ZINC000121393476 324009536 /nfs/dbraw/zinc/00/95/36/324009536.db2.gz TWDRAPOURYHQFZ-DDHJBXDOSA-N 1 0 213.321 1.569 10 0 BDAERO OC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000311154544 538113052 /nfs/dbraw/zinc/11/30/52/538113052.db2.gz WTPATPSFYYZQPK-CFVMTHIKSA-N 1 0 249.354 1.861 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000165350146 353308347 /nfs/dbraw/zinc/30/83/47/353308347.db2.gz GYGYKRDZIWVGKG-SECBINFHSA-N 1 0 244.298 1.373 10 0 BDAERO OCCN1CCC([NH2+]CC2CCCCC2)CC1 ZINC000398961949 353387784 /nfs/dbraw/zinc/38/77/84/353387784.db2.gz NOWCWDWAUWQRNK-UHFFFAOYSA-N 1 0 240.391 1.613 10 0 BDAERO C[C@@H]1CC[C@@H](O[C@@H]2CCSC2)C[NH2+]1 ZINC000405443295 353420013 /nfs/dbraw/zinc/42/00/13/353420013.db2.gz VYCFBLLLAOQPNO-OPRDCNLKSA-N 1 0 201.335 1.649 10 0 BDAERO C[C@@]1(Nc2ccc(Cl)cn2)CC[NH2+]C1 ZINC000230747453 353529326 /nfs/dbraw/zinc/52/93/26/353529326.db2.gz AYTZLEKLDYTVCU-SNVBAGLBSA-N 1 0 211.696 1.899 10 0 BDAERO CCN1CC[C@@H]([NH3+])[C@@H]1c1ncc(Cl)s1 ZINC000223272188 353596122 /nfs/dbraw/zinc/59/61/22/353596122.db2.gz UCEDWTOSNAOBLM-HTRCEHHLSA-N 1 0 231.752 1.891 10 0 BDAERO CC1(C)CC[N@H+](CC(N)=S)CCS1 ZINC000231047357 353560950 /nfs/dbraw/zinc/56/09/50/353560950.db2.gz WSLKUCNEIPMFOA-UHFFFAOYSA-N 1 0 218.391 1.490 10 0 BDAERO Cc1cc2ncnn2c(N(C)C[C@H](C)C[NH3+])c1 ZINC000042455529 188476426 /nfs/dbraw/zinc/47/64/26/188476426.db2.gz GDMUYMCTYCGHIH-SNVBAGLBSA-N 1 0 233.319 1.069 10 0 BDAERO Fc1cccc2c1C[C@@H](C[C@H]1C[NH+]=CN1)C2 ZINC000013862120 181006331 /nfs/dbraw/zinc/00/63/31/181006331.db2.gz LQJGPTUEUKGVLC-KOLCDFICSA-N 1 0 218.275 1.931 10 0 BDAERO COc1ccc([C@@]2(C)CC[NH2+]C2)cc1OC ZINC000051955290 188482865 /nfs/dbraw/zinc/48/28/65/188482865.db2.gz XEPUXYNKFFHKPD-ZDUSSCGKSA-N 1 0 221.300 1.955 10 0 BDAERO CC(C)OC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232664347 353752641 /nfs/dbraw/zinc/75/26/41/353752641.db2.gz QMKGRWGOOPGFGO-IUCAKERBSA-N 1 0 200.282 1.262 10 0 BDAERO CC(C)[C@@H](C[NH3+])N1C[C@@H](C)OC[C@H]1C ZINC000252448058 363254691 /nfs/dbraw/zinc/25/46/91/363254691.db2.gz RNNMLPMFMPAYGE-GMTAPVOTSA-N 1 0 200.326 1.079 10 0 BDAERO CC(C)C[C@@H](C[NH3+])Nc1ncc(F)cn1 ZINC000128500799 188498289 /nfs/dbraw/zinc/49/82/89/188498289.db2.gz GZAQLAGAGNQWEL-VIFPVBQESA-N 1 0 212.272 1.401 10 0 BDAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccncc1 ZINC000399045220 353741257 /nfs/dbraw/zinc/74/12/57/353741257.db2.gz UINYZOQZLVTDCL-GFCCVEGCSA-N 1 0 249.358 1.189 10 0 BDAERO C[C@H]([NH2+]C1CCN(CCO)CC1)c1cccnc1 ZINC000399056254 353745213 /nfs/dbraw/zinc/74/52/13/353745213.db2.gz ZSSUSISACLKVDN-LBPRGKRZSA-N 1 0 249.358 1.189 10 0 BDAERO Fc1cnc(SC[C@@H]2CC[NH2+]C2)nc1 ZINC000095072056 181019236 /nfs/dbraw/zinc/01/92/36/181019236.db2.gz RYMHWKWREHBODG-SSDOTTSWSA-N 1 0 213.281 1.317 10 0 BDAERO Fc1cnc(S[C@H]2CCC[NH2+]C2)nc1 ZINC000095072048 181019543 /nfs/dbraw/zinc/01/95/43/181019543.db2.gz MWZWDIIYJDIETK-QMMMGPOBSA-N 1 0 213.281 1.460 10 0 BDAERO CC[C@@H]([NH2+]C[C@H]1CN(CC)CCO1)C(C)C ZINC000086004578 491056090 /nfs/dbraw/zinc/05/60/90/491056090.db2.gz MCUNSXQVEDKIMH-QWHCGFSZSA-N 1 0 228.380 1.731 10 0 BDAERO CC[C@@H](C)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004407 491056094 /nfs/dbraw/zinc/05/60/94/491056094.db2.gz NRNCOEMEMHQSHQ-GHMZBOCLSA-N 1 0 200.326 1.095 10 0 BDAERO CN1C(=O)N(c2ccccc2)[C@H]2CC[NH2+]C[C@@H]21 ZINC000606303199 353858425 /nfs/dbraw/zinc/85/84/25/353858425.db2.gz MHYBVVIIDYZOEK-RYUDHWBXSA-N 1 0 231.299 1.289 10 0 BDAERO C[C@H]1[C@H](Sc2nncs2)CC[C@@H]1[NH3+] ZINC000252469758 363283496 /nfs/dbraw/zinc/28/34/96/363283496.db2.gz XIIXKTLWJUDWLJ-DSYKOEDSSA-N 1 0 215.347 1.756 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)C[NH3+])C1 ZINC000096987313 188583631 /nfs/dbraw/zinc/58/36/31/188583631.db2.gz VHAUJJATACLPAX-SECBINFHSA-N 1 0 242.319 1.161 10 0 BDAERO CCN(C(=O)CSC)[C@H]1CCC[NH2+]CC1 ZINC000379428073 358484216 /nfs/dbraw/zinc/48/42/16/358484216.db2.gz CTPAARLACRRMHM-JTQLQIEISA-N 1 0 230.377 1.340 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000334748374 354473425 /nfs/dbraw/zinc/47/34/25/354473425.db2.gz YQNWCZNQIIKTRY-GWCFXTLKSA-N 1 0 245.326 1.766 10 0 BDAERO CCc1ncnc(NC[C@@H]([NH3+])CC)c1F ZINC000234029200 363413215 /nfs/dbraw/zinc/41/32/15/363413215.db2.gz MDXQRNSOJOBOLH-ZETCQYMHSA-N 1 0 212.272 1.327 10 0 BDAERO CCc1cnc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)o1 ZINC000229726551 355137521 /nfs/dbraw/zinc/13/75/21/355137521.db2.gz HVPRDAHDJQNHAO-RYUDHWBXSA-N 1 0 249.358 1.906 10 0 BDAERO C[C@]1([NH3+])CCN(C/C(Cl)=C\Cl)C1 ZINC000405832506 355329609 /nfs/dbraw/zinc/32/96/09/355329609.db2.gz UBCFRQIOTPKAEU-IPWDFOCMSA-N 1 0 209.120 1.729 10 0 BDAERO NC(=[NH2+])N1Cc2cccc3c2[C@@H](CCC3)C1 ZINC000027767280 181188134 /nfs/dbraw/zinc/18/81/34/181188134.db2.gz YFGDVKLROYFRRV-NSHDSACASA-N 1 0 215.300 1.816 10 0 BDAERO CS(=O)(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC000129616833 355360104 /nfs/dbraw/zinc/36/01/04/355360104.db2.gz MSUYKICUHJWWTL-SNVBAGLBSA-N 1 0 219.350 1.329 10 0 BDAERO CC[C@@H]1C[NH2+]CC[C@@]12N[C@@H](C)CS2 ZINC000229823225 355419800 /nfs/dbraw/zinc/41/98/00/355419800.db2.gz OLJKSWSRCWNPRG-AEJSXWLSSA-N 1 0 200.351 1.427 10 0 BDAERO CC[C@@H]1C[NH2+]CC[C@]12NC[C@@H](C)S2 ZINC000229823207 355419883 /nfs/dbraw/zinc/41/98/83/355419883.db2.gz ZOEOERQUHSEHKU-OPRDCNLKSA-N 1 0 200.351 1.427 10 0 BDAERO NC(=[NH2+])c1cc(CNc2ccccc2)ccn1 ZINC000091692027 181194068 /nfs/dbraw/zinc/19/40/68/181194068.db2.gz RSFDUFVLFZWMNC-UHFFFAOYSA-N 1 0 226.283 1.978 10 0 BDAERO NC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000119927995 181191385 /nfs/dbraw/zinc/19/13/85/181191385.db2.gz ASNSWNCYVBDDGT-XNCJUZBTSA-N 1 0 227.670 1.818 10 0 BDAERO NC(=[NH2+])[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000095642228 181191976 /nfs/dbraw/zinc/19/19/76/181191976.db2.gz CXXFSPLXQQBIJP-LLVKDONJSA-N 1 0 247.298 1.724 10 0 BDAERO NC(=[NH2+])c1ccccc1N1CCC[C@@H]1CCCO ZINC000052760505 181196419 /nfs/dbraw/zinc/19/64/19/181196419.db2.gz ADEQPTQBGXHAOI-LLVKDONJSA-N 1 0 247.342 1.712 10 0 BDAERO NC(=[NH2+])c1ccc(COCC2CC2)cc1 ZINC000019871423 181194539 /nfs/dbraw/zinc/19/45/39/181194539.db2.gz OQIFDMZLQKHCPD-UHFFFAOYSA-N 1 0 204.273 1.897 10 0 BDAERO NC(=[NH2+])c1ccc(N2CCC[C@@H]2CO)c(F)c1 ZINC000042432920 181194903 /nfs/dbraw/zinc/19/49/03/181194903.db2.gz IWBIZJLRLCQRQL-SECBINFHSA-N 1 0 237.278 1.071 10 0 BDAERO NC(=[NH2+])c1ccccc1OC[C@H]1CCCO1 ZINC000019518525 181196050 /nfs/dbraw/zinc/19/60/50/181196050.db2.gz COZYAGOTBANSGN-SECBINFHSA-N 1 0 220.272 1.528 10 0 BDAERO NC(=[NH2+])c1ccnc(OC2CCCC2)c1 ZINC000019505511 181197885 /nfs/dbraw/zinc/19/78/85/181197885.db2.gz QIIDAISLLJZNOT-UHFFFAOYSA-N 1 0 205.261 1.687 10 0 BDAERO [NH2+]=C(NO)c1ccnn1Cc1ccccc1 ZINC000075848331 181199799 /nfs/dbraw/zinc/19/97/99/181199799.db2.gz YZXJDWVXWBTART-UHFFFAOYSA-N 1 0 216.244 1.236 10 0 BDAERO [NH2+]=C(Nc1ccccc1)N[C@H]1CCCC[C@@H]1O ZINC000052047555 181200502 /nfs/dbraw/zinc/20/05/02/181200502.db2.gz MBIHOJRDBMBSNC-RYUDHWBXSA-N 1 0 233.315 1.926 10 0 BDAERO NC(=O)[C@]1(O)CCC[N@H+](CC2CCCC2)C1 ZINC000334347266 181205099 /nfs/dbraw/zinc/20/50/99/181205099.db2.gz RDYQWMYABSXILK-LBPRGKRZSA-N 1 0 226.320 1.539 10 0 BDAERO COc1ccc(C[NH3+])c(OC)c1Br ZINC000160283757 355842580 /nfs/dbraw/zinc/84/25/80/355842580.db2.gz DERLSRVJKAQICM-UHFFFAOYSA-N 1 0 246.104 1.925 10 0 BDAERO NC(=O)C1([NH2+]Cc2cccs2)CCC1 ZINC000037946615 181214855 /nfs/dbraw/zinc/21/48/55/181214855.db2.gz USRJCHGGLXOTNZ-UHFFFAOYSA-N 1 0 210.302 1.246 10 0 BDAERO NC(=O)C1=CCC(N2CCCCC2)=[NH+]C=C1 ZINC000206683887 181214979 /nfs/dbraw/zinc/21/49/79/181214979.db2.gz KJZNKNLLTVZCPD-UHFFFAOYSA-N 1 0 219.288 1.200 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000417556357 191903067 /nfs/dbraw/zinc/90/30/67/191903067.db2.gz OGAPYGVKHLOJGB-GMTAPVOTSA-N 1 0 227.352 1.602 10 0 BDAERO CC[N@@H+]1CC[C@H](Nc2nccc(C)n2)C1 ZINC000389266186 355943652 /nfs/dbraw/zinc/94/36/52/355943652.db2.gz JKQGWQCAPBZZGR-JTQLQIEISA-N 1 0 206.293 1.291 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000020578269 181241127 /nfs/dbraw/zinc/24/11/27/181241127.db2.gz YRROSHBLOLDWIQ-SSDOTTSWSA-N 1 0 233.098 1.869 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000020578022 181241820 /nfs/dbraw/zinc/24/18/20/181241820.db2.gz VAAGTSXUGPMGCF-MRVPVSSYSA-N 1 0 243.104 1.324 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000020578188 181241918 /nfs/dbraw/zinc/24/19/18/181241918.db2.gz SKYABTBRMVMLTI-GFCCVEGCSA-N 1 0 214.268 1.715 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CCCC2)[C@@H](C)C1 ZINC000150852892 356222063 /nfs/dbraw/zinc/22/20/63/356222063.db2.gz RDWYOSZREQOHPZ-RYUDHWBXSA-N 1 0 239.363 1.521 10 0 BDAERO NC(=O)[C@@H]([NH3+])c1cccc2ccccc21 ZINC000037460208 181264812 /nfs/dbraw/zinc/26/48/12/181264812.db2.gz MDERNOCMCBBXEE-NSHDSACASA-N 1 0 200.241 1.325 10 0 BDAERO CC1(C)C[C@@H](O)CC[N@H+](CC2(O)CCC2)C1 ZINC000336236759 356317388 /nfs/dbraw/zinc/31/73/88/356317388.db2.gz ZYJDIIVHRPYDMU-NSHDSACASA-N 1 0 227.348 1.384 10 0 BDAERO CCOC(CNCC[NH+](CC)CC)OCC ZINC000088008208 356414123 /nfs/dbraw/zinc/41/41/23/356414123.db2.gz ZTVYXZIVQMNDCZ-UHFFFAOYSA-N 1 0 232.368 1.317 10 0 BDAERO [NH3+]C1(C(=O)C2CCOCC2)CCCCC1 ZINC000167879271 356457635 /nfs/dbraw/zinc/45/76/35/356457635.db2.gz NHIVAKFEOZMRCJ-UHFFFAOYSA-N 1 0 211.305 1.644 10 0 BDAERO CC(C)OCCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261632430 535318433 /nfs/dbraw/zinc/31/84/33/535318433.db2.gz ADPOSLQXEUDHLC-NWDGAFQWSA-N 1 0 242.363 1.387 10 0 BDAERO CC(C)OCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261794504 535319089 /nfs/dbraw/zinc/31/90/89/535319089.db2.gz GSCUFBUIPQGVRW-LLVKDONJSA-N 1 0 242.363 1.387 10 0 BDAERO CC(C)(C)O[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675050671 538472707 /nfs/dbraw/zinc/47/27/07/538472707.db2.gz HFWPJTIRIQFVTJ-UWVGGRQHSA-N 1 0 213.321 1.698 10 0 BDAERO CC(C)c1nc([C@@H](O)CC[NH3+])cs1 ZINC000083283598 538464928 /nfs/dbraw/zinc/46/49/28/538464928.db2.gz DFCIJPGXSHTXEV-QMMMGPOBSA-N 1 0 200.307 1.649 10 0 BDAERO COC(=O)CNCC1CCC(F)(F)CC1 ZINC000675056916 538479411 /nfs/dbraw/zinc/47/94/11/538479411.db2.gz ZBYLRPOJTFDHQU-UHFFFAOYSA-N 1 0 221.247 1.575 10 0 BDAERO CC[C@]1(CNC(=O)[C@H](C)C(C)C)C[NH2+]CCO1 ZINC000675058809 538482922 /nfs/dbraw/zinc/48/29/22/538482922.db2.gz ACMGNPNJHQGQRA-DGCLKSJQSA-N 1 0 242.363 1.163 10 0 BDAERO CCC(C)(C)NC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000675050913 538473377 /nfs/dbraw/zinc/47/33/77/538473377.db2.gz ACZYBGBAEQCVFN-GHMZBOCLSA-N 1 0 241.379 1.801 10 0 BDAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H]1CC[C@H](CO)O1 ZINC000675059070 538483582 /nfs/dbraw/zinc/48/35/82/538483582.db2.gz JDHNVPHAGVDVEE-QNWHQSFQSA-N 1 0 227.348 1.647 10 0 BDAERO COCC[NH2+]C[C@H](C)c1cccc(N)c1 ZINC000675051124 538474051 /nfs/dbraw/zinc/47/40/51/538474051.db2.gz MGADNEZNWCMNSJ-JTQLQIEISA-N 1 0 208.305 1.608 10 0 BDAERO CC(C)(C)OC(=O)c1cnc(CC[NH3+])s1 ZINC000675051677 538475204 /nfs/dbraw/zinc/47/52/04/538475204.db2.gz XWDCHYNAPJCBED-UHFFFAOYSA-N 1 0 228.317 1.600 10 0 BDAERO O=C(CC1CC1)N1CC([NH2+]C2CCC2)C1 ZINC000675055535 538476108 /nfs/dbraw/zinc/47/61/08/538476108.db2.gz VDGURKWJRNKNBN-UHFFFAOYSA-N 1 0 208.305 1.139 10 0 BDAERO Cc1cn2c(n1)[C@@H](CC(F)F)[NH2+]CCC2 ZINC000675068340 538496356 /nfs/dbraw/zinc/49/63/56/538496356.db2.gz PJUOWILCKHUPOR-MRVPVSSYSA-N 1 0 215.247 1.881 10 0 BDAERO C[C@@H](C(=O)N1CCO[C@@](C)(C[NH3+])C1)C(C)(C)C ZINC000675060036 538485194 /nfs/dbraw/zinc/48/51/94/538485194.db2.gz ZRGXVEWOCLSHJH-GWCFXTLKSA-N 1 0 242.363 1.245 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])c1nc(C(F)F)n[nH]1 ZINC000675061008 538487118 /nfs/dbraw/zinc/48/71/18/538487118.db2.gz VIKGZPQYZZFVSZ-CRCLSJGQSA-N 1 0 204.224 1.788 10 0 BDAERO C[C@H]([NH3+])[C@H]1COc2cc(F)c(F)cc2C1 ZINC000675063451 538490142 /nfs/dbraw/zinc/49/01/42/538490142.db2.gz FICNJGSPKCVRBZ-POYBYMJQSA-N 1 0 213.227 1.863 10 0 BDAERO Cc1cn2c(n1)[C@@H](Cc1c[nH]cn1)[NH2+]CCC2 ZINC000675067461 538494203 /nfs/dbraw/zinc/49/42/03/538494203.db2.gz DXRUKTLUUHNMCA-LLVKDONJSA-N 1 0 231.303 1.192 10 0 BDAERO Cc1ccc2cc(C[NH3+])c(=O)[nH]c2c1F ZINC000675069546 538498789 /nfs/dbraw/zinc/49/87/89/538498789.db2.gz IFZFRCGIWWNSRF-UHFFFAOYSA-N 1 0 206.220 1.847 10 0 BDAERO CC(C)[C@@H]([NH3+])CNc1ncc(Cl)cn1 ZINC000168063446 134155590 /nfs/dbraw/zinc/15/55/90/134155590.db2.gz HSQRBUWYOQIGAQ-QMMMGPOBSA-N 1 0 214.700 1.525 10 0 BDAERO CCc1cn2c(n1)[C@@H]([C@H]1CCOC1)[NH2+]CCC2 ZINC000675069843 538499565 /nfs/dbraw/zinc/49/95/65/538499565.db2.gz 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DAEGGLGYUHEOBA-UHFFFAOYSA-N 1 0 202.710 1.544 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000309436896 491148301 /nfs/dbraw/zinc/14/83/01/491148301.db2.gz NAEKKWJHSBNLIO-NEPJUHHUSA-N 1 0 226.364 1.485 10 0 BDAERO Cc1cocc1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000306524218 360368761 /nfs/dbraw/zinc/36/87/61/360368761.db2.gz XTFQAOYKAZFYSJ-SCZZXKLOSA-N 1 0 209.245 1.277 10 0 BDAERO CSC1(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)CCC1 ZINC000306530070 360376759 /nfs/dbraw/zinc/37/67/59/360376759.db2.gz CUUCCQJQGRPRIQ-ZJUUUORDSA-N 1 0 214.378 1.551 10 0 BDAERO CC[C@H]1CN([C@H](C)C(F)(F)F)CC[NH2+]1 ZINC000306535235 360397959 /nfs/dbraw/zinc/39/79/59/360397959.db2.gz FRWCQOAOHQWFCS-SFYZADRCSA-N 1 0 210.243 1.621 10 0 BDAERO Cc1cc(C(=O)[C@@H]2CC[NH2+]C2)cnc1C ZINC000306521304 360359539 /nfs/dbraw/zinc/35/95/39/360359539.db2.gz MYJOZJBJTLXYIX-SNVBAGLBSA-N 1 0 204.273 1.491 10 0 BDAERO C[C@@H]1[C@H](NC(N)=S)CC[N@@H+]1Cc1ccccc1 ZINC000306561870 360437783 /nfs/dbraw/zinc/43/77/83/360437783.db2.gz SZUVATGUPQZWHZ-ZYHUDNBSSA-N 1 0 249.383 1.483 10 0 BDAERO [NH3+]Cc1cnc(N2CCC2)c(Br)c1 ZINC000306563775 360440683 /nfs/dbraw/zinc/44/06/83/360440683.db2.gz WFVAAHFVNLWGOF-UHFFFAOYSA-N 1 0 242.120 1.513 10 0 BDAERO CC[C@@](C)(C(C)=O)[N@@H+]1CCCO[C@H](C)C1 ZINC000306565975 360445086 /nfs/dbraw/zinc/44/50/86/360445086.db2.gz YEXUJRLKABMUFD-PWSUYJOCSA-N 1 0 213.321 1.855 10 0 BDAERO CC(C)OC1CC([NH2+][C@H]2CCC[C@@H](O)C2)C1 ZINC000309422699 491148989 /nfs/dbraw/zinc/14/89/89/491148989.db2.gz AGLCJBMQGKAXIR-GMKTYKIGSA-N 1 0 227.348 1.836 10 0 BDAERO O=[S@](CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000306540010 360405160 /nfs/dbraw/zinc/40/51/60/360405160.db2.gz VPZLOKMFKCGOTE-GXFFZTMASA-N 1 0 201.335 1.287 10 0 BDAERO C[C@H]1C[N@H+](C)CC[C@]12NCCCS2 ZINC000306568456 360450065 /nfs/dbraw/zinc/45/00/65/360450065.db2.gz USTVSTIKRULAHM-VHSXEESVSA-N 1 0 200.351 1.381 10 0 BDAERO CC(C)([NH3+])CN1CCS[C@H]2CCC[C@H]21 ZINC000306555266 360427794 /nfs/dbraw/zinc/42/77/94/360427794.db2.gz BTNOIGCKTSZLBZ-ZJUUUORDSA-N 1 0 214.378 1.694 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](C(=O)c2csc(C)n2)C1 ZINC000306558443 360433054 /nfs/dbraw/zinc/43/30/54/360433054.db2.gz PFUQLUXLVSFDJU-YUMQZZPRSA-N 1 0 226.301 1.011 10 0 BDAERO FC1(F)CCC[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000306583196 360482356 /nfs/dbraw/zinc/48/23/56/360482356.db2.gz PMLNBDLUTYEANC-DTWKUNHWSA-N 1 0 204.264 1.516 10 0 BDAERO COC[C@H](C)C[NH2+][C@H]1CCc2nccn2C1 ZINC000309470845 491149267 /nfs/dbraw/zinc/14/92/67/491149267.db2.gz QQVCCDYPHXHURV-MNOVXSKESA-N 1 0 223.320 1.070 10 0 BDAERO c1nnc(S[C@@H]2CCC[NH2+]CC2)s1 ZINC000300779739 360490621 /nfs/dbraw/zinc/49/06/21/360490621.db2.gz BGSPCUDEWWYYKU-SSDOTTSWSA-N 1 0 215.347 1.772 10 0 BDAERO CC(C)=CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000300758781 360454640 /nfs/dbraw/zinc/45/46/40/360454640.db2.gz LEMAPBDKNDPGLG-QWRGUYRKSA-N 1 0 208.305 1.306 10 0 BDAERO CC1(C)CC([NH2+][C@@H]2CCc3nccn3C2)C1 ZINC000309472185 491149303 /nfs/dbraw/zinc/14/93/03/491149303.db2.gz RDXHQRZHZHHIIL-SNVBAGLBSA-N 1 0 219.332 1.976 10 0 BDAERO CC[C@H](CNC(=O)OC(C)(C)C)[NH+](C)C ZINC000306599955 360520535 /nfs/dbraw/zinc/52/05/35/360520535.db2.gz SNUBBOSPIGIJPC-SECBINFHSA-N 1 0 216.325 1.851 10 0 BDAERO C/C(=C\c1c(Br)nnn1C)[C@@H](C)[NH3+] ZINC000306599696 360520590 /nfs/dbraw/zinc/52/05/90/360520590.db2.gz HUALAJHAWSANGE-BMMSZFGTSA-N 1 0 245.124 1.328 10 0 BDAERO O=[S@](C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000306603435 360531908 /nfs/dbraw/zinc/53/19/08/360531908.db2.gz MQYRUIBZZQMXIK-GXFFZTMASA-N 1 0 201.335 1.430 10 0 BDAERO CC1(O)C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300793371 360505291 /nfs/dbraw/zinc/50/52/91/360505291.db2.gz BZEAVWHLURJHOH-MRVPVSSYSA-N 1 0 205.248 1.488 10 0 BDAERO NC(=O)c1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000075905578 181302110 /nfs/dbraw/zinc/30/21/10/181302110.db2.gz XYNVQOZERPZMGP-LLVKDONJSA-N 1 0 204.273 1.600 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccnc(C)n2)C1 ZINC000309489121 491149639 /nfs/dbraw/zinc/14/96/39/491149639.db2.gz WMEPTESSYSLOHQ-GXSJLCMTSA-N 1 0 220.320 1.537 10 0 BDAERO NC(=O)c1ccc[n+](Cc2ccc(F)cc2)c1 ZINC000000160604 181302579 /nfs/dbraw/zinc/30/25/79/181302579.db2.gz JIFFGLPCVXMDMH-UHFFFAOYSA-O 1 0 231.250 1.260 10 0 BDAERO NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000071138664 181303565 /nfs/dbraw/zinc/30/35/65/181303565.db2.gz SJNWJRALKWVPTB-OLZOCXBDSA-N 1 0 248.326 1.179 10 0 BDAERO O=C1NCC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000309584159 491150788 /nfs/dbraw/zinc/15/07/88/491150788.db2.gz RNBPBNOLAWBPSU-NXEZZACHSA-N 1 0 236.340 1.604 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000381137738 360747510 /nfs/dbraw/zinc/74/75/10/360747510.db2.gz MAWIVJCQOXRADF-NQBHXWOUSA-N 1 0 229.364 1.534 10 0 BDAERO CC(=O)N1CC[C@H]([NH2+][C@H](C)C(C)C)[C@@H](C)C1 ZINC000309615503 491152560 /nfs/dbraw/zinc/15/25/60/491152560.db2.gz NUADJUPQLIMTKL-LOWVWBTDSA-N 1 0 226.364 1.877 10 0 BDAERO CC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186212080 219872935 /nfs/dbraw/zinc/87/29/35/219872935.db2.gz WTUIIMKLERGTIX-WDEREUQCSA-N 1 0 213.321 1.570 10 0 BDAERO C[NH2+][C@H](C)CN1C[C@@H](C)S[C@H](C)C1 ZINC000069910060 361016471 /nfs/dbraw/zinc/01/64/71/361016471.db2.gz WKPVACLGJXLSQV-OPRDCNLKSA-N 1 0 202.367 1.420 10 0 BDAERO CC(C)[C@@H]([NH3+])CN1C[C@@H](C)S[C@@H](C)C1 ZINC000069910067 361017008 /nfs/dbraw/zinc/01/70/08/361017008.db2.gz IIPXAMNNZDPWTK-AXFHLTTASA-N 1 0 216.394 1.796 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC12CC2 ZINC000424219767 200891916 /nfs/dbraw/zinc/89/19/16/200891916.db2.gz FFOJWSLIAVDDFN-IVZWLZJFSA-N 1 0 208.305 1.043 10 0 BDAERO CC(C)[C@@](C)(CO)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000352895723 200935387 /nfs/dbraw/zinc/93/53/87/200935387.db2.gz WGPOEDYRWVJJHH-DGCLKSJQSA-N 1 0 247.379 1.159 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000309720133 491154957 /nfs/dbraw/zinc/15/49/57/491154957.db2.gz VSECOBWYJIDKSG-DGCLKSJQSA-N 1 0 226.364 1.221 10 0 BDAERO C[C@](O)(C[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000306618471 361194096 /nfs/dbraw/zinc/19/40/96/361194096.db2.gz SONHCKFWIRAWKT-YUMQZZPRSA-N 1 0 211.227 1.689 10 0 BDAERO Cc1ccc([C@@H]2C[C@@H]2C(=O)NCC[NH3+])s1 ZINC000158707785 361209882 /nfs/dbraw/zinc/20/98/82/361209882.db2.gz ZMSOVCLGGANFEA-BDAKNGLRSA-N 1 0 224.329 1.235 10 0 BDAERO C[C@H]1CCSCC[N@@H+]1[C@@H]1CCC(=O)C1 ZINC000306625594 361285047 /nfs/dbraw/zinc/28/50/47/361285047.db2.gz GZSMONBBDRCGEP-VHSXEESVSA-N 1 0 213.346 1.935 10 0 BDAERO [NH3+]C1(C(=O)Nc2cccc3n[nH]cc32)CCCC1 ZINC000037769618 181329794 /nfs/dbraw/zinc/32/97/94/181329794.db2.gz QGWSRJPYYXPGDR-UHFFFAOYSA-N 1 0 244.298 1.773 10 0 BDAERO CCC[C@H]1CCCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000579258556 366752551 /nfs/dbraw/zinc/75/25/51/366752551.db2.gz QPSHRSUXMVDWLN-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO CC[C@H](C)[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000181124620 366787570 /nfs/dbraw/zinc/78/75/70/366787570.db2.gz MSCUWZWIAXAGNM-NWDGAFQWSA-N 1 0 214.353 1.437 10 0 BDAERO [NH3+]C1(c2cc(F)cc(F)c2)CCOCC1 ZINC000049350969 181333927 /nfs/dbraw/zinc/33/39/27/181333927.db2.gz RGCOJLPDHIQZMF-UHFFFAOYSA-N 1 0 213.227 1.929 10 0 BDAERO [NH3+]C1(c2cccc([C@H]3COCCO3)c2)CC1 ZINC000095938195 181335191 /nfs/dbraw/zinc/33/51/91/181335191.db2.gz PSMQNLQRQYXXMY-GFCCVEGCSA-N 1 0 219.284 1.722 10 0 BDAERO [NH3+]C1(c2noc(CC(F)(F)F)n2)CCCC1 ZINC000041053006 181336637 /nfs/dbraw/zinc/33/66/37/181336637.db2.gz XHZSTCPDYZHTEB-UHFFFAOYSA-N 1 0 235.209 1.902 10 0 BDAERO CCN(Cc1ccoc1)C(=O)[C@@H](C)[NH2+]C ZINC000629600547 361490948 /nfs/dbraw/zinc/49/09/48/361490948.db2.gz ZFGYEGSZRPHBSR-SECBINFHSA-N 1 0 210.277 1.236 10 0 BDAERO C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000070561171 361544598 /nfs/dbraw/zinc/54/45/98/361544598.db2.gz CISHVRGOUPPTED-GFCCVEGCSA-N 1 0 218.300 1.397 10 0 BDAERO [NH2+]=C1N[C@@H](c2ncc[nH]2)Cc2ccccc21 ZINC000025976262 181338951 /nfs/dbraw/zinc/33/89/51/181338951.db2.gz PYOAJTLPLZFISJ-SNVBAGLBSA-N 1 0 212.256 1.412 10 0 BDAERO CO[C@H]1C[NH2+][C@](C)(c2nc(C(C)(C)C)no2)C1 ZINC000629685883 361608380 /nfs/dbraw/zinc/60/83/80/361608380.db2.gz IUUUVLYJWGOGMX-PELKAZGASA-N 1 0 239.319 1.591 10 0 BDAERO [NH3+][C@@H](CO)c1ccccc1OC(F)F ZINC000036949515 361580336 /nfs/dbraw/zinc/58/03/36/361580336.db2.gz KNLKUOWICIJMHD-ZETCQYMHSA-N 1 0 203.188 1.280 10 0 BDAERO [NH3+]C1CCC(C(=O)N2CCCCCC2)CC1 ZINC000037481657 181340764 /nfs/dbraw/zinc/34/07/64/181340764.db2.gz WROQZCCIYKWXKO-UHFFFAOYSA-N 1 0 224.348 1.907 10 0 BDAERO [NH3+]C1CCC(C(=O)Nc2cccnc2)CC1 ZINC000037481669 181340809 /nfs/dbraw/zinc/34/08/09/181340809.db2.gz WYMGUHUOIUIFEK-UHFFFAOYSA-N 1 0 219.288 1.538 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CCN1C ZINC000153722449 201248468 /nfs/dbraw/zinc/24/84/68/201248468.db2.gz GJTYHAYZPGVWJW-AAVRWANBSA-N 1 0 240.391 1.610 10 0 BDAERO O[C@@H]1C[NH2+]C[C@H]1Sc1ccc(Cl)cn1 ZINC000070615571 361630611 /nfs/dbraw/zinc/63/06/11/361630611.db2.gz WTIZBUNYZKAEGP-HTQZYQBOSA-N 1 0 230.720 1.160 10 0 BDAERO [NH3+]C1CC(NC(=O)Nc2ccccc2F)C1 ZINC000036263533 181340429 /nfs/dbraw/zinc/34/04/29/181340429.db2.gz YYLZJLQVNWSSDB-UHFFFAOYSA-N 1 0 223.251 1.437 10 0 BDAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CCCOC2)CC1 ZINC000038046207 181340651 /nfs/dbraw/zinc/34/06/51/181340651.db2.gz KMMLQSDMAGPXQW-UNXYVOJBSA-N 1 0 240.347 1.047 10 0 BDAERO c1ccc(SC[C@@H]2C[NH2+]CCO2)nc1 ZINC000070649803 361695904 /nfs/dbraw/zinc/69/59/04/361695904.db2.gz OSDYYWBYRZVXMQ-VIFPVBQESA-N 1 0 210.302 1.162 10 0 BDAERO NC(=[NH2+])C1CCN(CC(F)(F)F)CC1 ZINC000070664114 361708466 /nfs/dbraw/zinc/70/84/66/361708466.db2.gz AFEJDMBHYABSSL-UHFFFAOYSA-N 1 0 209.215 1.197 10 0 BDAERO [NH3+]CC(=O)NCCCOc1ccc2c(c1)CCC2 ZINC000041301332 181352332 /nfs/dbraw/zinc/35/23/32/181352332.db2.gz SRXITZUWHZBTEQ-UHFFFAOYSA-N 1 0 248.326 1.019 10 0 BDAERO c1nc2c([nH]1)[C@]1(CC[C@@H]3CCC[C@@H]31)[NH2+]CC2 ZINC000722063322 541316276 /nfs/dbraw/zinc/31/62/76/541316276.db2.gz OQUFTOCMNOKIOC-OUJBWJOFSA-N 1 0 217.316 1.961 10 0 BDAERO [NH3+]CC(=O)NCc1ccc(Cl)c(F)c1 ZINC000083348769 181353797 /nfs/dbraw/zinc/35/37/97/181353797.db2.gz CCNBNQPULMSNST-UHFFFAOYSA-N 1 0 216.643 1.054 10 0 BDAERO CCCCCC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630363821 364079626 /nfs/dbraw/zinc/07/96/26/364079626.db2.gz RWRIZNRCQFPZTD-YPMHNXCESA-N 1 0 242.363 1.531 10 0 BDAERO C[C@@H]1CCN(C(=O)n2cc[n+](C)c2)C[C@@H]1C ZINC000130680064 364029952 /nfs/dbraw/zinc/02/99/52/364029952.db2.gz ZLKMLTUPLKSRTO-MNOVXSKESA-N 1 0 222.312 1.259 10 0 BDAERO CO[C@@H]1CN(C(=O)c2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630362720 364081984 /nfs/dbraw/zinc/08/19/84/364081984.db2.gz PSQOMQRISVZMFX-GXTWGEPZSA-N 1 0 248.326 1.265 10 0 BDAERO CO[C@H]1CN(C(=O)C2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630362838 364082092 /nfs/dbraw/zinc/08/20/92/364082092.db2.gz QCCDMGSFUMUHNU-YPMHNXCESA-N 1 0 240.347 1.141 10 0 BDAERO [NH3+]CC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000037764290 181355696 /nfs/dbraw/zinc/35/56/96/181355696.db2.gz JRDNVRTXCMFDCJ-UHFFFAOYSA-N 1 0 233.296 1.707 10 0 BDAERO CCNC(=O)C[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000725263540 541336633 /nfs/dbraw/zinc/33/66/33/541336633.db2.gz OOEXHKSXGKOHAM-GFCCVEGCSA-N 1 0 248.326 1.190 10 0 BDAERO CSc1ccnc(N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630387001 364101318 /nfs/dbraw/zinc/10/13/18/364101318.db2.gz DEIGIKMKWXTWKE-BDAKNGLRSA-N 1 0 238.360 1.230 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000725263650 541336819 /nfs/dbraw/zinc/33/68/19/541336819.db2.gz YRTABJYOZUIHPW-NEPJUHHUSA-N 1 0 241.379 1.720 10 0 BDAERO CCC(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263638 541337093 /nfs/dbraw/zinc/33/70/93/541337093.db2.gz XTTUGECBSOPDOY-MBNYWOFBSA-N 1 0 236.359 1.777 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000725271479 541339644 /nfs/dbraw/zinc/33/96/44/541339644.db2.gz NQYBLEVZYDAKOT-SRVKXCTJSA-N 1 0 241.379 1.657 10 0 BDAERO CCCOc1nccnc1N1CCC([NH3+])CC1 ZINC000630506731 364193263 /nfs/dbraw/zinc/19/32/63/364193263.db2.gz PVOQBUCKUFMLKK-UHFFFAOYSA-N 1 0 236.319 1.193 10 0 BDAERO O=C(NCC(C1CC1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000088456927 325658871 /nfs/dbraw/zinc/65/88/71/325658871.db2.gz AUNIZBGGVQDXJI-LBPRGKRZSA-N 1 0 236.359 1.538 10 0 BDAERO CCC[NH2+]CCNc1nccnc1OCCC ZINC000630512750 364197563 /nfs/dbraw/zinc/19/75/63/364197563.db2.gz SRVPJEOKIFBOAW-UHFFFAOYSA-N 1 0 238.335 1.677 10 0 BDAERO O[C@H]([C@H]1CCC[NH2+]1)C(F)(F)Br ZINC000225669236 370750120 /nfs/dbraw/zinc/75/01/20/370750120.db2.gz LMMKTTPGSXKHMV-RFZPGFLSSA-N 1 0 230.052 1.087 10 0 BDAERO C[NH2+]CCOCCN(C)c1nc2ccccc2[nH]1 ZINC000630529547 364217305 /nfs/dbraw/zinc/21/73/05/364217305.db2.gz AFOHYTWUNCDNRQ-UHFFFAOYSA-N 1 0 248.330 1.235 10 0 BDAERO C[NH2+]CCOCCNc1nccc2occc21 ZINC000630530910 364220738 /nfs/dbraw/zinc/22/07/38/364220738.db2.gz TZEZUFXZKUOUJR-UHFFFAOYSA-N 1 0 235.287 1.476 10 0 BDAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccccn1)C2 ZINC000630538414 364233751 /nfs/dbraw/zinc/23/37/51/364233751.db2.gz LDFUXDLFJKTWOV-BETUJISGSA-N 1 0 217.316 1.517 10 0 BDAERO Cc1nccc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000630539747 364234888 /nfs/dbraw/zinc/23/48/88/364234888.db2.gz JNMLBDONCPLPRF-BETUJISGSA-N 1 0 232.331 1.221 10 0 BDAERO C[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1C[NH3+] ZINC000630576169 364274614 /nfs/dbraw/zinc/27/46/14/364274614.db2.gz XFRMYDKYMWACQB-HTQZYQBOSA-N 1 0 226.711 1.161 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1Nc1nc2ccccc2n1C ZINC000630546516 364240057 /nfs/dbraw/zinc/24/00/57/364240057.db2.gz WSOICRHFTOSCEG-VHSXEESVSA-N 1 0 230.315 1.158 10 0 BDAERO NCC1([NH+]2CCCCC2)CCSCC1 ZINC000042334936 181360704 /nfs/dbraw/zinc/36/07/04/181360704.db2.gz FTFAJNXSQCKHEJ-UHFFFAOYSA-N 1 0 214.378 1.697 10 0 BDAERO [NH3+]CC1(Cc2cscn2)CCOCC1 ZINC000061673995 181360963 /nfs/dbraw/zinc/36/09/63/181360963.db2.gz HVNWESBBIXLRRS-UHFFFAOYSA-N 1 0 212.318 1.441 10 0 BDAERO [NH3+][C@@H]1CCCCCN(c2ncc(Cl)cn2)C1 ZINC000630551104 364245089 /nfs/dbraw/zinc/24/50/89/364245089.db2.gz YNKPETQCZHIPSG-SNVBAGLBSA-N 1 0 240.738 1.838 10 0 BDAERO CN(C)c1nccc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630548301 364245441 /nfs/dbraw/zinc/24/54/41/364245441.db2.gz CKDKGGXSVDZMFE-LLVKDONJSA-N 1 0 249.362 1.250 10 0 BDAERO Clc1cnc(NC2CC[NH2+]CC2)s1 ZINC000630548887 364246366 /nfs/dbraw/zinc/24/63/66/364246366.db2.gz HRGKWOKABICJEQ-UHFFFAOYSA-N 1 0 217.725 1.960 10 0 BDAERO C[C@H]1CN(c2ncncc2Cl)C[C@H]1C[NH3+] ZINC000630552894 364247505 /nfs/dbraw/zinc/24/75/05/364247505.db2.gz HXNBSWQLTAARND-JGVFFNPUSA-N 1 0 226.711 1.161 10 0 BDAERO C[C@H]1CCC[C@H](C)[NH+]1CC[C@@H]([NH3+])C(=O)[O-] ZINC000218573528 541349340 /nfs/dbraw/zinc/34/93/40/541349340.db2.gz RHTXWSJDUXBUAW-LPEHRKFASA-N 1 0 214.309 1.051 10 0 BDAERO C[C@@H]1CN(c2nc(C3CC3)ns2)C[C@@H]1C[NH3+] ZINC000630555099 364253040 /nfs/dbraw/zinc/25/30/40/364253040.db2.gz ZOUAFCHXFZIHBK-APPZFPTMSA-N 1 0 238.360 1.447 10 0 BDAERO Cc1cccc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630568696 364265181 /nfs/dbraw/zinc/26/51/81/364265181.db2.gz IQEYYYMRSRHPBQ-ONGXEEELSA-N 1 0 205.305 1.421 10 0 BDAERO C[C@H]1CN(c2ncnc3ccsc32)C[C@@H]1C[NH3+] ZINC000630571759 364266747 /nfs/dbraw/zinc/26/67/47/364266747.db2.gz PLEDBJRFEBURKY-IUCAKERBSA-N 1 0 248.355 1.722 10 0 BDAERO Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)nc(C)n1 ZINC000630533343 364224706 /nfs/dbraw/zinc/22/47/06/364224706.db2.gz CDAJVRXHSPRHFR-LDYMZIIASA-N 1 0 220.320 1.646 10 0 BDAERO C[C@H]1CC[C@H](Nc2ccncc2Cl)C[NH2+]1 ZINC000630533877 364227020 /nfs/dbraw/zinc/22/70/20/364227020.db2.gz GRASBVBDWGSNPJ-IUCAKERBSA-N 1 0 225.723 1.709 10 0 BDAERO C[C@@H]1CC[C@@H](Nc2ncc(F)cn2)C[NH2+]1 ZINC000630534343 364228926 /nfs/dbraw/zinc/22/89/26/364228926.db2.gz WKVPOKKKJKLPKZ-VXNVDRBHSA-N 1 0 210.256 1.168 10 0 BDAERO COc1ccnc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630535723 364231120 /nfs/dbraw/zinc/23/11/20/364231120.db2.gz ZHOGIIRZSOABIO-IUCAKERBSA-N 1 0 222.292 1.038 10 0 BDAERO [NH3+]CC1(c2ccc(F)c(F)c2)OCCO1 ZINC000049815756 181362857 /nfs/dbraw/zinc/36/28/57/181362857.db2.gz AMDUUVSHPCMTJP-UHFFFAOYSA-N 1 0 215.199 1.123 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170834105 364442277 /nfs/dbraw/zinc/44/22/77/364442277.db2.gz MGUNVSFIGKQLMA-SRVKXCTJSA-N 1 0 241.379 1.767 10 0 BDAERO [NH3+]CC12C3C4C1C1C2C3C41c1ccccc1 ZINC000013605690 181363823 /nfs/dbraw/zinc/36/38/23/181363823.db2.gz HNWDYZUQQVBQQK-UHFFFAOYSA-N 1 0 209.292 1.635 10 0 BDAERO Cc1nc(C)c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000311700393 541361696 /nfs/dbraw/zinc/36/16/96/541361696.db2.gz RRRQGFXESFCQMD-ZWNOBZJWSA-N 1 0 249.358 1.960 10 0 BDAERO CCC[C@@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170863967 364543856 /nfs/dbraw/zinc/54/38/56/364543856.db2.gz JLKLNHQEERKOOT-NEPJUHHUSA-N 1 0 226.364 1.975 10 0 BDAERO [NH3+]CCC(=O)OCCc1ccc(Cl)cc1 ZINC000077341892 181370512 /nfs/dbraw/zinc/37/05/12/181370512.db2.gz CREGQWDDSLLWNS-UHFFFAOYSA-N 1 0 227.691 1.775 10 0 BDAERO [NH3+]CCC(=O)OCCc1ccc2c(c1)CCC2 ZINC000077366512 181369802 /nfs/dbraw/zinc/36/98/02/181369802.db2.gz CUHTWMUVXBSICI-UHFFFAOYSA-N 1 0 233.311 1.610 10 0 BDAERO [NH3+]CCC(=O)OCCc1c[nH]c2ccccc12 ZINC000077362891 181370306 /nfs/dbraw/zinc/37/03/06/181370306.db2.gz XDUFYWFTUBUATD-UHFFFAOYSA-N 1 0 232.283 1.602 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000573333775 364795027 /nfs/dbraw/zinc/79/50/27/364795027.db2.gz ZSYAXISYKJFKBL-OUAUKWLOSA-N 1 0 235.335 1.532 10 0 BDAERO [NH3+]CCCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000036827067 181371154 /nfs/dbraw/zinc/37/11/54/181371154.db2.gz HLDGSZJRKXWKNX-NWDGAFQWSA-N 1 0 224.348 1.907 10 0 BDAERO [NH3+]CCCC(=O)N[C@H]1CCCc2occc21 ZINC000040831781 181372476 /nfs/dbraw/zinc/37/24/76/181372476.db2.gz BWNABMYDFQTOKM-JTQLQIEISA-N 1 0 222.288 1.512 10 0 BDAERO [NH3+]CCCC(=O)c1ccc2c(c1)OCCCO2 ZINC000074369535 181374105 /nfs/dbraw/zinc/37/41/05/181374105.db2.gz GFJZIFIWYOUALM-UHFFFAOYSA-N 1 0 235.283 1.770 10 0 BDAERO [NH3+]CCCCCC(=O)NCCCOCC1CC1 ZINC000035661382 181373670 /nfs/dbraw/zinc/37/36/70/181373670.db2.gz AXPKRAODLQXYRI-UHFFFAOYSA-N 1 0 242.363 1.438 10 0 BDAERO [NH3+]CCCCCNC(=O)CCc1ccccc1 ZINC000074320157 181375203 /nfs/dbraw/zinc/37/52/03/181375203.db2.gz YSLPEDCPGDOBEP-UHFFFAOYSA-N 1 0 234.343 1.864 10 0 BDAERO [NH3+]CCCCCCC(=O)NCC[C@@H]1CCCO1 ZINC000038097004 181375278 /nfs/dbraw/zinc/37/52/78/181375278.db2.gz HFQPDQVLARMRDR-LBPRGKRZSA-N 1 0 242.363 1.581 10 0 BDAERO C[C@@H](C(=O)N1CC2(C1)CC[NH2+]C2)C(C)(C)C ZINC000675053816 541432523 /nfs/dbraw/zinc/43/25/23/541432523.db2.gz MGUGTPFVOWOHOB-JTQLQIEISA-N 1 0 224.348 1.491 10 0 BDAERO CSCC[C@@H](O)[C@@]1(C[NH3+])CC1(C)C ZINC000669377197 541436559 /nfs/dbraw/zinc/43/65/59/541436559.db2.gz JBDWUXAVCWPOQH-SCZZXKLOSA-N 1 0 203.351 1.475 10 0 BDAERO [NH3+]CCC[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000076615089 181384621 /nfs/dbraw/zinc/38/46/21/181384621.db2.gz IDSGKXAKKXZCGI-CYBMUJFWSA-N 1 0 232.327 1.788 10 0 BDAERO [NH3+]CCC[S@@](=O)c1ccccc1F ZINC000040954750 181385633 /nfs/dbraw/zinc/38/56/33/181385633.db2.gz CTTHVTDOPUHQHH-ZDUSSCGKSA-N 1 0 201.266 1.282 10 0 BDAERO [NH3+]CCCc1nc(-c2cccc(O)c2)n[nH]1 ZINC000072236576 181387202 /nfs/dbraw/zinc/38/72/02/181387202.db2.gz WHMICAZXQQWLAX-UHFFFAOYSA-N 1 0 218.260 1.069 10 0 BDAERO [NH3+]CCCc1noc(Cc2cccc(F)c2)n1 ZINC000054139216 181388036 /nfs/dbraw/zinc/38/80/36/181388036.db2.gz AGDUOZQAQKKTEJ-UHFFFAOYSA-N 1 0 235.262 1.691 10 0 BDAERO [NH3+]CCCc1nnc(-c2cccnc2)o1 ZINC000011585901 181388435 /nfs/dbraw/zinc/38/84/35/181388435.db2.gz JXITZJLVKHGWCR-UHFFFAOYSA-N 1 0 204.233 1.023 10 0 BDAERO [NH3+]CCN(Cc1ccccc1)c1cnccn1 ZINC000038033124 181390885 /nfs/dbraw/zinc/39/08/85/181390885.db2.gz MPEGGQFZRFXGCJ-UHFFFAOYSA-N 1 0 228.299 1.442 10 0 BDAERO [NH3+]CCNC(=O)Nc1cccc(Cl)c1 ZINC000037902514 181393951 /nfs/dbraw/zinc/39/39/51/181393951.db2.gz PMYBKRDWXCYHGQ-UHFFFAOYSA-N 1 0 213.668 1.420 10 0 BDAERO [NH3+]CCNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000037921555 181395320 /nfs/dbraw/zinc/39/53/20/181395320.db2.gz ABFALPHNBWHMQU-QWHCGFSZSA-N 1 0 248.326 1.229 10 0 BDAERO Nc1cc(C(F)(F)F)ccc1NCC[NH3+] ZINC000052815286 181398414 /nfs/dbraw/zinc/39/84/14/181398414.db2.gz OURGELFCQQLOHA-UHFFFAOYSA-N 1 0 219.210 1.658 10 0 BDAERO Nc1ccc(NCC[NH3+])cc1C(F)(F)F ZINC000052815282 181398708 /nfs/dbraw/zinc/39/87/08/181398708.db2.gz LKMBRQXAMHPVSQ-UHFFFAOYSA-N 1 0 219.210 1.658 10 0 BDAERO [NH3+]CCOCCSc1ccc2c(c1)OCO2 ZINC000057533663 181399073 /nfs/dbraw/zinc/39/90/73/181399073.db2.gz IDXKPBPJUFJZHE-UHFFFAOYSA-N 1 0 241.312 1.483 10 0 BDAERO [NH3+]CCOCCOCCCc1ccccc1 ZINC000074495461 181399623 /nfs/dbraw/zinc/39/96/23/181399623.db2.gz AFYNQWARFXQRPR-UHFFFAOYSA-N 1 0 223.316 1.611 10 0 BDAERO [NH3+]CCOc1cc(C(F)(F)F)ccn1 ZINC000085486278 181399654 /nfs/dbraw/zinc/39/96/54/181399654.db2.gz GKYURGOKWNLCBA-UHFFFAOYSA-N 1 0 206.167 1.438 10 0 BDAERO Nc1cc(C(F)(F)F)ccc1CC[NH3+] ZINC000082927139 181412054 /nfs/dbraw/zinc/41/20/54/181412054.db2.gz UBLDYDOGDKKYHF-UHFFFAOYSA-N 1 0 204.195 1.789 10 0 BDAERO [NH3+]CCc1cnn(Cc2ccccc2F)c1 ZINC000054740842 181413057 /nfs/dbraw/zinc/41/30/57/181413057.db2.gz JXTNPDDGAXITIC-UHFFFAOYSA-N 1 0 219.263 1.572 10 0 BDAERO [NH3+]C[C@@H](c1ccco1)n1cc(Cl)cn1 ZINC000043336452 181426108 /nfs/dbraw/zinc/42/61/08/181426108.db2.gz ASBFGZPENISGKP-QMMMGPOBSA-N 1 0 211.652 1.678 10 0 BDAERO [NH3+]CCn1cc(Cl)c(=O)c(Cl)c1 ZINC000083344901 181415396 /nfs/dbraw/zinc/41/53/96/181415396.db2.gz GSKUBNNBVFIURX-UHFFFAOYSA-N 1 0 207.060 1.114 10 0 BDAERO [NH3+]C[C@@H](CO)c1ccc(F)c(Cl)c1 ZINC000083264379 181418738 /nfs/dbraw/zinc/41/87/38/181418738.db2.gz WUOKALJWVAAEKG-ZETCQYMHSA-N 1 0 203.644 1.514 10 0 BDAERO N[C@H](C[NH3+])c1ccc(OC(F)(F)F)c(F)c1 ZINC000044473238 181420040 /nfs/dbraw/zinc/42/00/40/181420040.db2.gz LNEOOEDYRYWJCL-SSDOTTSWSA-N 1 0 238.184 1.683 10 0 BDAERO [NH3+]C[C@@H](O)CNc1cccc(Cl)c1Cl ZINC000033465310 181421737 /nfs/dbraw/zinc/42/17/37/181421737.db2.gz KXGIRBVEIVVXGU-ZCFIWIBFSA-N 1 0 235.114 1.725 10 0 BDAERO CCN1C[C@H]([NH2+][C@H](COC)C(C)C)[C@@H](C)C1 ZINC000381406565 541461036 /nfs/dbraw/zinc/46/10/36/541461036.db2.gz SMOWRADQXYCIQW-RWMBFGLXSA-N 1 0 228.380 1.587 10 0 BDAERO CC(C)(C)[C@H]([NH3+])c1nc(C(F)F)n[nH]1 ZINC000675060428 541463423 /nfs/dbraw/zinc/46/34/23/541463423.db2.gz GYUQAPZPZAMAPM-SCSAIBSYSA-N 1 0 204.224 1.788 10 0 BDAERO COCc1ccc([C@@H](C[NH3+])CC(=O)OC)cc1 ZINC000097430588 541470828 /nfs/dbraw/zinc/47/08/28/541470828.db2.gz AIXFHDCVFCUJDA-GFCCVEGCSA-N 1 0 237.299 1.438 10 0 BDAERO CN(C)C(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC000685947505 541496610 /nfs/dbraw/zinc/49/66/10/541496610.db2.gz WOUYNOJEGGQLEW-LLVKDONJSA-N 1 0 212.337 1.620 10 0 BDAERO CC(C)Cc1cnnn1[C@@H]1CCC[NH2+]CC1 ZINC000685952012 541497637 /nfs/dbraw/zinc/49/76/37/541497637.db2.gz OWNTWVINOSMVRA-LLVKDONJSA-N 1 0 222.336 1.791 10 0 BDAERO C[NH2+]Cc1cn(-c2cc(F)cc(Cl)c2)nn1 ZINC000230057283 541500095 /nfs/dbraw/zinc/50/00/95/541500095.db2.gz JAPUVHVMJVKUHC-UHFFFAOYSA-N 1 0 240.669 1.779 10 0 BDAERO CCOC(=O)[C@@H]1CNc2[nH+]ccn2[C@@H]1C ZINC000233990910 541511327 /nfs/dbraw/zinc/51/13/27/541511327.db2.gz WBOOMNFCUJRAJU-HTQZYQBOSA-N 1 0 209.249 1.049 10 0 BDAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000366958030 367077668 /nfs/dbraw/zinc/07/76/68/367077668.db2.gz IODZZLZAHKRPLJ-YNEHKIRRSA-N 1 0 249.358 1.925 10 0 BDAERO CCOc1nccnc1N1CC[NH2+]C(C)(C)C1 ZINC000581122402 367268357 /nfs/dbraw/zinc/26/83/57/367268357.db2.gz IDRNUDROKYJDHK-UHFFFAOYSA-N 1 0 236.319 1.064 10 0 BDAERO C[C@@H]1OCCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000380569822 367244663 /nfs/dbraw/zinc/24/46/63/367244663.db2.gz RGGPRZKVIAZMJV-SDDRHHMPSA-N 1 0 240.347 1.012 10 0 BDAERO CCCc1nsc(N[C@@H](C)[C@@H](C)[NH3+])n1 ZINC000381329215 367382373 /nfs/dbraw/zinc/38/23/73/367382373.db2.gz AWOXOMQIKCCXNR-RQJHMYQMSA-N 1 0 214.338 1.060 10 0 BDAERO CCCc1nsc(N[C@@H](C)[C@H](C)[NH3+])n1 ZINC000381329212 367383153 /nfs/dbraw/zinc/38/31/53/367383153.db2.gz AWOXOMQIKCCXNR-BQBZGAKWSA-N 1 0 214.338 1.060 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccnc3cccnc32)C1 ZINC000382461740 367528025 /nfs/dbraw/zinc/52/80/25/367528025.db2.gz WPYFQKAGTNJMHC-MNOVXSKESA-N 1 0 242.326 1.591 10 0 BDAERO COc1cc(N[C@H]2CC[C@H](C[NH3+])C2)ncn1 ZINC000382549877 367537378 /nfs/dbraw/zinc/53/73/78/367537378.db2.gz ZZHFIROUPVYWOP-IUCAKERBSA-N 1 0 222.292 1.025 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382231903 367500142 /nfs/dbraw/zinc/50/01/42/367500142.db2.gz VIWZBFGDRLYKAK-KRDKVTMHSA-N 1 0 238.375 1.925 10 0 BDAERO CCN(CC1CC1)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384334880 367685456 /nfs/dbraw/zinc/68/54/56/367685456.db2.gz BFWGCXCWJOXFHP-CMPLNLGQSA-N 1 0 224.348 1.633 10 0 BDAERO CCCCOCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384851042 367743405 /nfs/dbraw/zinc/74/34/05/367743405.db2.gz LADGOPBMWHWEQI-NWDGAFQWSA-N 1 0 215.337 1.648 10 0 BDAERO C[C@H](O)CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000581880069 367865649 /nfs/dbraw/zinc/86/56/49/367865649.db2.gz PJJXTOFUZYDKRE-VIFPVBQESA-N 1 0 206.289 1.425 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)CCC(=O)OCC ZINC000385527062 367840694 /nfs/dbraw/zinc/84/06/94/367840694.db2.gz JFTWIEKMNKMMOR-IJLUTSLNSA-N 1 0 243.347 1.469 10 0 BDAERO COc1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)sn1 ZINC000399221734 367906408 /nfs/dbraw/zinc/90/64/08/367906408.db2.gz YYXMIWWTCWSTGU-DTWKUNHWSA-N 1 0 242.344 1.545 10 0 BDAERO Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc1C ZINC000386624550 368003726 /nfs/dbraw/zinc/00/37/26/368003726.db2.gz DVHPTXMGKADGIF-NEPJUHHUSA-N 1 0 232.331 1.424 10 0 BDAERO CCCN(CC(F)F)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000386587398 367996497 /nfs/dbraw/zinc/99/64/97/367996497.db2.gz UMSBPBUZAFEWOT-ZJUUUORDSA-N 1 0 248.317 1.878 10 0 BDAERO CCN1CC[C@H](C[NH3+])[C@H]1c1nccs1 ZINC000252776395 368061846 /nfs/dbraw/zinc/06/18/46/368061846.db2.gz XYBSUGHLHWQOEO-BDAKNGLRSA-N 1 0 211.334 1.485 10 0 BDAERO C[C@@H]1C[C@@H](OC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000252789802 368063191 /nfs/dbraw/zinc/06/31/91/368063191.db2.gz RUERLHQDZKWWLC-ILWJIGKKSA-N 1 0 201.310 1.696 10 0 BDAERO C[C@H]1C[N@H+](C)CC[C@H]1[N-]C(=O)C(F)(F)F ZINC000252890580 368165896 /nfs/dbraw/zinc/16/58/96/368165896.db2.gz HWSXBNOYOFLGCH-NKWVEPMBSA-N 1 0 224.226 1.005 10 0 BDAERO CSC(C)(C)C[N@@H+]1C[C@@H](C)NC[C@H]1C ZINC000252968170 368172311 /nfs/dbraw/zinc/17/23/11/368172311.db2.gz YKFFVBQNWCWABW-NXEZZACHSA-N 1 0 216.394 1.810 10 0 BDAERO COC[C@H]([NH3+])C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000399521054 368172334 /nfs/dbraw/zinc/17/23/34/368172334.db2.gz OOKHDOCQHYXPMB-ZJUUUORDSA-N 1 0 230.352 1.101 10 0 BDAERO CC(C)[C@@H](C[NH3+])N1CCS[C@H](C)C1 ZINC000252981485 368176731 /nfs/dbraw/zinc/17/67/31/368176731.db2.gz RHZIZUCMWYMLMZ-NXEZZACHSA-N 1 0 202.367 1.407 10 0 BDAERO CC[C@H]1CNCC[N@@H+]1[C@H]1CCCSC1 ZINC000252982718 368178334 /nfs/dbraw/zinc/17/83/34/368178334.db2.gz XQSLVEXSKSOTNR-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC12CCCCC2 ZINC000387290549 368142841 /nfs/dbraw/zinc/14/28/41/368142841.db2.gz NYCUNESOEMIFIO-IJLUTSLNSA-N 1 0 236.359 1.681 10 0 BDAERO CC[C@H](O)C[NH2+]Cc1cccc(C(=O)OC)c1 ZINC000225752015 368367561 /nfs/dbraw/zinc/36/75/61/368367561.db2.gz OPIXTNJILYPFFT-LBPRGKRZSA-N 1 0 237.299 1.334 10 0 BDAERO [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1C1CC1 ZINC000225935666 368367675 /nfs/dbraw/zinc/36/76/75/368367675.db2.gz YMTFUHMWLZUZGC-KGLIPLIRSA-N 1 0 216.328 1.856 10 0 BDAERO CC(C)(C)OC(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000168584142 368396994 /nfs/dbraw/zinc/39/69/94/368396994.db2.gz ZOMNYTOUFQZSDZ-SKDRFNHKSA-N 1 0 211.305 1.718 10 0 BDAERO CC[C@](C)([NH3+])CN1CCS[C@H](C)[C@H]1C ZINC000253082044 368474583 /nfs/dbraw/zinc/47/45/83/368474583.db2.gz WVHZUMUUVYXTNU-MXWKQRLJSA-N 1 0 216.394 1.940 10 0 BDAERO COc1cccnc1N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253191737 368611219 /nfs/dbraw/zinc/61/12/19/368611219.db2.gz MLPUMLQFUMUQPZ-WDEREUQCSA-N 1 0 235.331 1.511 10 0 BDAERO [NH3+][C@@H](CNc1ncnc2c1CCC2)C1CC1 ZINC000082593855 368697862 /nfs/dbraw/zinc/69/78/62/368697862.db2.gz VJYQAWSDXKOJIR-JTQLQIEISA-N 1 0 218.304 1.115 10 0 BDAERO CCCc1nsc(NCC2CC[NH2+]CC2)n1 ZINC000083670197 368801472 /nfs/dbraw/zinc/80/14/72/368801472.db2.gz KBYAYHVABYGCFY-UHFFFAOYSA-N 1 0 240.376 1.902 10 0 BDAERO CC(C)c1nsc(NCC[C@H](C)[NH3+])n1 ZINC000083670512 368802058 /nfs/dbraw/zinc/80/20/58/368802058.db2.gz ZLHMFIPZAMMRKA-ZETCQYMHSA-N 1 0 214.338 1.811 10 0 BDAERO Cc1cc2ccccc2nc1NC1C[NH2+]C1 ZINC000085256810 368864683 /nfs/dbraw/zinc/86/46/83/368864683.db2.gz KQPWDIOLKYJOST-UHFFFAOYSA-N 1 0 213.284 1.927 10 0 BDAERO CC[C@@H]1C[NH2+]CC[C@]12N[C@H](C)CS2 ZINC000253286256 368913557 /nfs/dbraw/zinc/91/35/57/368913557.db2.gz OLJKSWSRCWNPRG-OPRDCNLKSA-N 1 0 200.351 1.427 10 0 BDAERO CC[C@@H]1C[NH2+]CC[C@@]12N[C@H](C)CS2 ZINC000253286255 368913866 /nfs/dbraw/zinc/91/38/66/368913866.db2.gz OLJKSWSRCWNPRG-BBBLOLIVSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@]1([NH3+])CN(Cc2ccccc2)CC12CC2 ZINC000113077254 368882957 /nfs/dbraw/zinc/88/29/57/368882957.db2.gz ISCHGRWESPMROQ-ZDUSSCGKSA-N 1 0 216.328 2.000 10 0 BDAERO CC[C@@H]([NH3+])CNc1ccc2nccnc2n1 ZINC000087201213 368889924 /nfs/dbraw/zinc/88/99/24/368889924.db2.gz PLPODCQBYCBITQ-MRVPVSSYSA-N 1 0 217.276 1.174 10 0 BDAERO CC1(C)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000087253493 368890147 /nfs/dbraw/zinc/89/01/47/368890147.db2.gz UVWQICVGBWBYNP-NSHDSACASA-N 1 0 224.348 1.635 10 0 BDAERO CN(CC[NH+](C)C)c1ccc2cc(N)ccc2n1 ZINC000111132006 368850636 /nfs/dbraw/zinc/85/06/36/368850636.db2.gz LOASPFIZPPTLMI-UHFFFAOYSA-N 1 0 244.342 1.815 10 0 BDAERO C[C@H]1CN(c2ccc(N)cc2F)C[C@H](C)[NH+]1C ZINC000115109195 368974430 /nfs/dbraw/zinc/97/44/30/368974430.db2.gz ABIICKLBBJTOHC-UWVGGRQHSA-N 1 0 237.322 1.937 10 0 BDAERO C[C@@H]1C[N@H+](C)CC[C@H]1n1cccc1C=O ZINC000253291415 368919230 /nfs/dbraw/zinc/91/92/30/368919230.db2.gz QPTUCQJBJSYSDM-ZYHUDNBSSA-N 1 0 206.289 1.813 10 0 BDAERO CC[C@@H]1CS[C@@]2(CC[NH2+]C[C@H]2C)N1 ZINC000253309904 368921678 /nfs/dbraw/zinc/92/16/78/368921678.db2.gz TWKRMKQMJBOARZ-OPRDCNLKSA-N 1 0 200.351 1.427 10 0 BDAERO CN(Cc1cccc(O)c1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546366 369014061 /nfs/dbraw/zinc/01/40/61/369014061.db2.gz WWZIHQVOPPCOOG-NEPJUHHUSA-N 1 0 248.326 1.478 10 0 BDAERO CCN(CC)C(=O)O[C@@H]1CCCC[C@@H]1[NH3+] ZINC000131787804 259535643 /nfs/dbraw/zinc/53/56/43/259535643.db2.gz VMHLZHHBRACUTB-VHSXEESVSA-N 1 0 214.309 1.735 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1OC(=O)N1CCCCC1 ZINC000131773701 259535666 /nfs/dbraw/zinc/53/56/66/259535666.db2.gz DGZDDNVWKKNDOW-UWVGGRQHSA-N 1 0 212.293 1.489 10 0 BDAERO [NH3+][C@H]1CCC[C@H]1OC(=O)N1CCCCCC1 ZINC000131783575 259536037 /nfs/dbraw/zinc/53/60/37/259536037.db2.gz NOEMGIYVJCVAMX-WDEREUQCSA-N 1 0 226.320 1.879 10 0 BDAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1cccc(O)c1 ZINC000054686360 369087045 /nfs/dbraw/zinc/08/70/45/369087045.db2.gz HNXULIJRZDKYNQ-CABCVRRESA-N 1 0 243.306 1.996 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccncc1 ZINC000054686327 369087699 /nfs/dbraw/zinc/08/76/99/369087699.db2.gz FQSKTBDCCWZPBN-KBPBESRZSA-N 1 0 228.295 1.685 10 0 BDAERO [NH3+]C[C@@H]1Cc2c(Cl)cccc2[C@@H](O)C1 ZINC000057939183 181438149 /nfs/dbraw/zinc/43/81/49/181438149.db2.gz GPYIIRBUJLYBHM-HQJQHLMTSA-N 1 0 211.692 1.895 10 0 BDAERO [NH3+]C[C@@](O)(c1ccc(Cl)cc1)C1CC1 ZINC000049815063 181439972 /nfs/dbraw/zinc/43/99/72/181439972.db2.gz YEDVFLOWYBQLRZ-NSHDSACASA-N 1 0 211.692 1.896 10 0 BDAERO [NH3+]C[C@@]1(O)CCCSc2ccccc21 ZINC000082950002 181440968 /nfs/dbraw/zinc/44/09/68/181440968.db2.gz HGIPTIWTZPBIDC-NSHDSACASA-N 1 0 209.314 1.719 10 0 BDAERO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(Br)o1 ZINC000070500232 181441374 /nfs/dbraw/zinc/44/13/74/181441374.db2.gz YPPMIQGCLWCOGQ-HZGVNTEJSA-N 1 0 246.104 1.467 10 0 BDAERO [NH3+]C[C@H](c1cccnc1)n1cc(Cl)cn1 ZINC000043348892 181455438 /nfs/dbraw/zinc/45/54/38/181455438.db2.gz ZKJPXFWNLLMALU-SNVBAGLBSA-N 1 0 222.679 1.480 10 0 BDAERO [NH3+]C[C@H](O)Cc1cc(Cl)ccc1Cl ZINC000071522152 181450560 /nfs/dbraw/zinc/45/05/60/181450560.db2.gz SAXDWNQLLIAHNZ-MRVPVSSYSA-N 1 0 220.099 1.856 10 0 BDAERO [NH3+]C[C@H]1CCCN1c1ccc(Cl)nn1 ZINC000082642075 181460926 /nfs/dbraw/zinc/46/09/26/181460926.db2.gz GUDIXBXVEAYPCF-SSDOTTSWSA-N 1 0 212.684 1.058 10 0 BDAERO [NH3+]Cc1c(-n2cc(Cl)cn2)nc2ccccn21 ZINC000038053884 181472644 /nfs/dbraw/zinc/47/26/44/181472644.db2.gz BUNWRBBOIYYTTK-UHFFFAOYSA-N 1 0 247.689 1.632 10 0 BDAERO CC[NH+]1CCN(Cc2ccc(N)cc2C)CC1 ZINC000201139694 369380871 /nfs/dbraw/zinc/38/08/71/369380871.db2.gz GNYMTNISHULOOR-UHFFFAOYSA-N 1 0 233.359 1.715 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000623767252 369376884 /nfs/dbraw/zinc/37/68/84/369376884.db2.gz SNLWLQGHNRCGCF-LSDHHAIUSA-N 1 0 247.338 1.803 10 0 BDAERO CCCCC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404191035 369422578 /nfs/dbraw/zinc/42/25/78/369422578.db2.gz HRAHLJVIXDKNLU-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO [NH3+]Cc1ccc(COC[C@@H]2CCCO2)c(F)c1 ZINC000019388180 181481939 /nfs/dbraw/zinc/48/19/39/181481939.db2.gz UMAIGBZWYAYJEK-LBPRGKRZSA-N 1 0 239.290 1.980 10 0 BDAERO O[C@@H](c1cncs1)[C@@H]1CCCCC[NH2+]1 ZINC000161515458 369583802 /nfs/dbraw/zinc/58/38/02/369583802.db2.gz GGQVTWFRJYXKLP-WCBMZHEXSA-N 1 0 212.318 1.709 10 0 BDAERO CCCCNC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631001821 369709696 /nfs/dbraw/zinc/70/96/96/369709696.db2.gz UDEDZRLTQBKLGA-UWVGGRQHSA-N 1 0 213.325 1.023 10 0 BDAERO CCCCNC(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631001824 369709891 /nfs/dbraw/zinc/70/98/91/369709891.db2.gz UDEDZRLTQBKLGA-ZJUUUORDSA-N 1 0 213.325 1.023 10 0 BDAERO [NH3+]Cc1cnn([C@H]2CCCCC[C@H]2O)c1 ZINC000054600442 181493750 /nfs/dbraw/zinc/49/37/50/181493750.db2.gz GQZINAAVAVVLKM-WDEREUQCSA-N 1 0 209.293 1.208 10 0 BDAERO CC(C)[N@H+]1C[C@H](Nc2cccnn2)[C@@H](C)C1 ZINC000309701441 370246116 /nfs/dbraw/zinc/24/61/16/370246116.db2.gz TUVSKIGVRKMJEO-QWRGUYRKSA-N 1 0 220.320 1.617 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cccnn2)C1 ZINC000309701440 370246729 /nfs/dbraw/zinc/24/67/29/370246729.db2.gz TUVSKIGVRKMJEO-MNOVXSKESA-N 1 0 220.320 1.617 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cccnn2)C1 ZINC000309701442 370247162 /nfs/dbraw/zinc/24/71/62/370247162.db2.gz TUVSKIGVRKMJEO-WDEREUQCSA-N 1 0 220.320 1.617 10 0 BDAERO OCC[C@H]1CC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000621259126 370191607 /nfs/dbraw/zinc/19/16/07/370191607.db2.gz LFNQUCBOUVLMJQ-SNVBAGLBSA-N 1 0 240.734 1.939 10 0 BDAERO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H]1C[C@H]1C ZINC000309801817 370261799 /nfs/dbraw/zinc/26/17/99/370261799.db2.gz RHKGKRYVPIJDKJ-KCJUWKMLSA-N 1 0 222.336 1.293 10 0 BDAERO CC(C)(C)[C@H](O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621380683 370324123 /nfs/dbraw/zinc/32/41/23/370324123.db2.gz BNCTVNXWTRIZHS-VXGBXAGGSA-N 1 0 243.391 1.876 10 0 BDAERO O=[S@](c1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000215256387 370364297 /nfs/dbraw/zinc/36/42/97/370364297.db2.gz LWCHBRQOBQGITJ-RTHLEPHNSA-N 1 0 213.277 1.295 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1CC(C)C1 ZINC000621672551 370424710 /nfs/dbraw/zinc/42/47/10/370424710.db2.gz JTDCHIDAMKAUPL-ILDUYXDCSA-N 1 0 212.337 1.522 10 0 BDAERO [NH3+]C1CCC(C(=O)NCC[C@H]2CC2(F)F)CC1 ZINC000621674484 370426836 /nfs/dbraw/zinc/42/68/36/370426836.db2.gz UYTMOQBBCBEJNG-KYHHOPLUSA-N 1 0 246.301 1.665 10 0 BDAERO OCc1ccc(C[NH2+]CC[C@@H]2CCCO2)o1 ZINC000077897945 370502334 /nfs/dbraw/zinc/50/23/34/370502334.db2.gz PSXZXHJXSOELNB-JTQLQIEISA-N 1 0 225.288 1.431 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000078516259 370570757 /nfs/dbraw/zinc/57/07/57/370570757.db2.gz GDPVXTWTXKEHQT-JSGCOSHPSA-N 1 0 249.358 1.453 10 0 BDAERO CC[C@@H]([NH3+])C(=O)[C@H]1CCc2cccnc21 ZINC000226539916 370624932 /nfs/dbraw/zinc/62/49/32/370624932.db2.gz DQDMQEQXDQLAPZ-VHSXEESVSA-N 1 0 204.273 1.418 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]CC(C)(C)C)C1 ZINC000082491739 371002478 /nfs/dbraw/zinc/00/24/78/371002478.db2.gz RIXLTHBYSFPSPN-NSHDSACASA-N 1 0 214.353 1.343 10 0 BDAERO C[S@@](=O)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378669998 371013754 /nfs/dbraw/zinc/01/37/54/371013754.db2.gz JELKHRDQMTYBSS-ICUOPCATSA-N 1 0 215.362 1.533 10 0 BDAERO O=c1[nH]c2ccncc2cc1C1CC[NH2+]CC1 ZINC000118634598 371044196 /nfs/dbraw/zinc/04/41/96/371044196.db2.gz AMMFLMDXPZOTMR-UHFFFAOYSA-N 1 0 229.283 1.390 10 0 BDAERO COC(=O)c1ccc(NC2CC[NH2+]CC2)nc1C ZINC000124428399 371189802 /nfs/dbraw/zinc/18/98/02/371189802.db2.gz UIPHFFPFXWJKDW-UHFFFAOYSA-N 1 0 249.314 1.341 10 0 BDAERO Cc1scc(C[NH2+][C@@H]2CCCNC2=O)c1C ZINC000631056519 371179635 /nfs/dbraw/zinc/17/96/35/371179635.db2.gz KTOJXZSOHZAHFJ-LLVKDONJSA-N 1 0 238.356 1.733 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@H]1CCCCO1 ZINC000623978006 371212989 /nfs/dbraw/zinc/21/29/89/371212989.db2.gz GTUCTIAGSJTHLX-WHOHXGKFSA-N 1 0 240.347 1.201 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)[C@@H]1CCCCO1 ZINC000623978005 371213009 /nfs/dbraw/zinc/21/30/09/371213009.db2.gz GTUCTIAGSJTHLX-USZNOCQGSA-N 1 0 240.347 1.201 10 0 BDAERO [NH3+][C@@H](Cc1ccccc1)C[C@H]1CCOC1 ZINC000054685419 181556623 /nfs/dbraw/zinc/55/66/23/181556623.db2.gz KOQPPRLRPXYNQN-OLZOCXBDSA-N 1 0 205.301 1.983 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1Nc1cc(Cl)ncn1 ZINC000095072229 181576219 /nfs/dbraw/zinc/57/62/19/181576219.db2.gz GDYRDEXGKUATLY-HTQZYQBOSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1 ZINC000038049725 181640748 /nfs/dbraw/zinc/64/07/48/181640748.db2.gz WGGDTAUEMONWLG-STQMWFEESA-N 1 0 248.326 1.452 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCC(=O)c1ccco1 ZINC000095072255 181642529 /nfs/dbraw/zinc/64/25/29/181642529.db2.gz VTZMRTRKMYSPDY-VHSXEESVSA-N 1 0 222.288 1.322 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1n1ccc(C(F)(F)F)n1 ZINC000043298494 181647226 /nfs/dbraw/zinc/64/72/26/181647226.db2.gz XZTVLXWLOPRGKR-BQBZGAKWSA-N 1 0 219.210 1.954 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@H]2CCO[C@H]21 ZINC000624217807 371406500 /nfs/dbraw/zinc/40/65/00/371406500.db2.gz JGTVTKGEEWAMKP-IYKVGLELSA-N 1 0 225.332 1.160 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccc(O)c1 ZINC000624237529 371421140 /nfs/dbraw/zinc/42/11/40/371421140.db2.gz ZHDCGACZWFJVRO-TVYUQYBPSA-N 1 0 237.299 1.193 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1ccc(F)cc1 ZINC000624235069 371422438 /nfs/dbraw/zinc/42/24/38/371422438.db2.gz CZGNTDKHBIXEJM-BIMULSAOSA-N 1 0 239.290 1.626 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)c1cccs1 ZINC000624235260 371422680 /nfs/dbraw/zinc/42/26/80/371422680.db2.gz HLFMUBKNFOUPPV-AEJSXWLSSA-N 1 0 227.329 1.549 10 0 BDAERO CCCC[C@H](CC)[NH2+][C@H]1CCOC[C@H]1O ZINC000624235828 371423584 /nfs/dbraw/zinc/42/35/84/371423584.db2.gz QBMFKPDAXRJPPF-SDDRHHMPSA-N 1 0 215.337 1.695 10 0 BDAERO CC1(C)CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000624237746 371426035 /nfs/dbraw/zinc/42/60/35/371426035.db2.gz CYHXOPRUKUPYKC-AXFHLTTASA-N 1 0 213.321 1.305 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccc(F)cn1 ZINC000624237862 371426391 /nfs/dbraw/zinc/42/63/91/371426391.db2.gz GHNMSLSNROFNRE-KPXOXKRLSA-N 1 0 240.278 1.021 10 0 BDAERO Cc1csc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)n1 ZINC000624239599 371428667 /nfs/dbraw/zinc/42/86/67/371428667.db2.gz PLUSCFZDNLRFTJ-LPEHRKFASA-N 1 0 242.344 1.252 10 0 BDAERO CC1(C)[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@H]2CCO[C@H]21 ZINC000624258650 371444813 /nfs/dbraw/zinc/44/48/13/371444813.db2.gz PNLGMNYJVSLLIF-IJLUTSLNSA-N 1 0 248.326 1.690 10 0 BDAERO CSCC[C@@H](C)N(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000156788195 371500366 /nfs/dbraw/zinc/50/03/66/371500366.db2.gz VXTYVEBLJUBWNT-MNOVXSKESA-N 1 0 246.420 1.960 10 0 BDAERO Fc1ccc(Br)cc1OC1C[NH2+]C1 ZINC000126612146 371538119 /nfs/dbraw/zinc/53/81/19/371538119.db2.gz UKYLQLBQNGYORY-UHFFFAOYSA-N 1 0 246.079 1.939 10 0 BDAERO O=C(NCc1ccccc1)[C@H]1CSCC[NH2+]1 ZINC000126592803 371538483 /nfs/dbraw/zinc/53/84/83/371538483.db2.gz CDPKPBLIAZCPHX-LLVKDONJSA-N 1 0 236.340 1.008 10 0 BDAERO C[NH2+]C[C@@H]1CCCO[C@H]1c1cncs1 ZINC000161820249 371566989 /nfs/dbraw/zinc/56/69/89/371566989.db2.gz ZWTBILQLUMFRBL-WCBMZHEXSA-N 1 0 212.318 1.830 10 0 BDAERO CO[C@@H]1CCC[C@@H](OC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000161829395 371568368 /nfs/dbraw/zinc/56/83/68/371568368.db2.gz PIDIFRPMBGKGIP-QJPTWQEYSA-N 1 0 241.331 1.487 10 0 BDAERO Cc1ncc(C[C@@]2(CO)CCC[NH2+]2)s1 ZINC000215666623 371611877 /nfs/dbraw/zinc/61/18/77/371611877.db2.gz GEPRTVFGQRQMRI-SNVBAGLBSA-N 1 0 212.318 1.109 10 0 BDAERO CC[C@H](C)[C@@H]1C[S@@](=O)CC[C@@H](C)[NH2+]1 ZINC000226418532 371664072 /nfs/dbraw/zinc/66/40/72/371664072.db2.gz MSWZHUHEJFWCAP-WJZNIJOASA-N 1 0 203.351 1.532 10 0 BDAERO [NH3+][C@@H]1CCCC[C@H]1C(=O)c1cncnc1 ZINC000226475064 371673019 /nfs/dbraw/zinc/67/30/19/371673019.db2.gz QAGIQMHJLVKMSO-NXEZZACHSA-N 1 0 205.261 1.177 10 0 BDAERO CC[C@H]1[NH2+]CC[C@H]1NC(=O)OC(C)(C)C ZINC000215739755 371623595 /nfs/dbraw/zinc/62/35/95/371623595.db2.gz XFCCEZVWXSUNTA-RKDXNWHRSA-N 1 0 214.309 1.652 10 0 BDAERO [NH3+][C@H]1CCCCC[C@@H]1Oc1nncs1 ZINC000131565132 371625145 /nfs/dbraw/zinc/62/51/45/371625145.db2.gz ILLBSZRWESEOJY-YUMQZZPRSA-N 1 0 213.306 1.577 10 0 BDAERO C[C@]1(C(=O)Cc2ccsc2)CC[NH2+]C1 ZINC000226346510 371650059 /nfs/dbraw/zinc/65/00/59/371650059.db2.gz IVEGBLNMCGBKLK-NSHDSACASA-N 1 0 209.314 1.859 10 0 BDAERO CN(C)c1[nH+]c(NN)c(Cl)cc1Cl ZINC000226648794 371714616 /nfs/dbraw/zinc/71/46/16/371714616.db2.gz UMHCJFRKUKJUIE-UHFFFAOYSA-N 1 0 221.091 1.740 10 0 BDAERO CC(C)[C@H]([C@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000216216651 371721618 /nfs/dbraw/zinc/72/16/18/371721618.db2.gz URNQCTPRKGQLOL-IVZWLZJFSA-N 1 0 219.350 1.041 10 0 BDAERO CC(C)[C@H]([NH3+])CN1C[C@@H](C)S[C@@H](C)C1 ZINC000226682587 371722803 /nfs/dbraw/zinc/72/28/03/371722803.db2.gz IIPXAMNNZDPWTK-OUAUKWLOSA-N 1 0 216.394 1.796 10 0 BDAERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Cc1ccccc1 ZINC000226682840 371722870 /nfs/dbraw/zinc/72/28/70/371722870.db2.gz BMLSTCQQEMCJRC-PWSUYJOCSA-N 1 0 203.285 1.796 10 0 BDAERO CN1CCC[C@@H]([N@H+](C)[C@H]2CCCC2=O)C1 ZINC000226729367 371730216 /nfs/dbraw/zinc/73/02/16/371730216.db2.gz QZNLOTVCKPBEBK-MNOVXSKESA-N 1 0 210.321 1.134 10 0 BDAERO Cc1ccnc(N)c1C(=O)CC(C)(C)[NH3+] ZINC000226502615 371684961 /nfs/dbraw/zinc/68/49/61/371684961.db2.gz APCQWOJYPRRWAU-UHFFFAOYSA-N 1 0 207.277 1.282 10 0 BDAERO O=C(C[C@H]1CC[NH2+]C1)c1ccncc1F ZINC000226532745 371691554 /nfs/dbraw/zinc/69/15/54/371691554.db2.gz SFAGKQWNLGSAAN-MRVPVSSYSA-N 1 0 208.236 1.403 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)c1cncnc1 ZINC000226544752 371693319 /nfs/dbraw/zinc/69/33/19/371693319.db2.gz BKQIQTWJIOZOLN-WPRPVWTQSA-N 1 0 205.261 1.034 10 0 BDAERO Nc1ncc(Cl)cc1C(=O)C1(C[NH3+])CC1 ZINC000226796452 371744774 /nfs/dbraw/zinc/74/47/74/371744774.db2.gz RYKJGZBQXHUQEO-UHFFFAOYSA-N 1 0 225.679 1.239 10 0 BDAERO Cn1cnnc1S[C@@H]1CCCC[NH2+]C1 ZINC000132126219 371755398 /nfs/dbraw/zinc/75/53/98/371755398.db2.gz RIWFPIQCBHEQSM-MRVPVSSYSA-N 1 0 212.322 1.049 10 0 BDAERO C[C@@H]1CCS[C@@]2(CC[C@H](C)OC2)[NH2+]1 ZINC000401668409 371799406 /nfs/dbraw/zinc/79/94/06/371799406.db2.gz PPYSJXGLIZZNMG-KXUCPTDWSA-N 1 0 201.335 1.997 10 0 BDAERO CO[C@H]1CN(C(C)(C)C[NH3+])CC[C@@H]1C ZINC000230225226 371873154 /nfs/dbraw/zinc/87/31/54/371873154.db2.gz SUWYMHPJJSKPPQ-UWVGGRQHSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@H](CO)S[C@H]1CCCCC[C@@H]1[NH3+] ZINC000162890859 371877225 /nfs/dbraw/zinc/87/72/25/371877225.db2.gz DEUCTOLAGAISGH-UTLUCORTSA-N 1 0 203.351 1.760 10 0 BDAERO [NH3+][C@H]([C@H]1CCSC1)C1CCOCC1 ZINC000162902935 371880235 /nfs/dbraw/zinc/88/02/35/371880235.db2.gz KFFBCEFUGFPNPM-UWVGGRQHSA-N 1 0 201.335 1.493 10 0 BDAERO [NH3+][C@H]1CN(c2cccc(Br)c2)C1=O ZINC000227617928 371905472 /nfs/dbraw/zinc/90/54/72/371905472.db2.gz DUWYQYACDYTCDZ-QMMMGPOBSA-N 1 0 241.088 1.123 10 0 BDAERO Cc1ccc([C@@H](C)N2C[C@@H]([NH3+])C2=O)s1 ZINC000227621303 371907674 /nfs/dbraw/zinc/90/76/74/371907674.db2.gz RTRSHHVSKWUVCA-HTQZYQBOSA-N 1 0 210.302 1.287 10 0 BDAERO Fc1cc(NCC[NH+]2CCCC2)ccn1 ZINC000227643500 371913003 /nfs/dbraw/zinc/91/30/03/371913003.db2.gz AHELYNAAPDTPBR-UHFFFAOYSA-N 1 0 209.268 1.728 10 0 BDAERO CC[C@H](C[NH2+]C1COC1)NC(=O)OC(C)(C)C ZINC000227713860 371925719 /nfs/dbraw/zinc/92/57/19/371925719.db2.gz YHPRQZCSMJRZEJ-SECBINFHSA-N 1 0 244.335 1.278 10 0 BDAERO CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1COC1 ZINC000227723673 371927663 /nfs/dbraw/zinc/92/76/63/371927663.db2.gz UIYGUHWMMKINAY-VIFPVBQESA-N 1 0 244.335 1.278 10 0 BDAERO C[C@@](O)(C[NH3+])Cc1ccc(Cl)cc1F ZINC000163249844 371958417 /nfs/dbraw/zinc/95/84/17/371958417.db2.gz KEPUXKKYBNMRES-JTQLQIEISA-N 1 0 217.671 1.731 10 0 BDAERO CC[C@H]1CN([C@@H]2CCC[NH2+]C2)CCS1 ZINC000133028341 371974647 /nfs/dbraw/zinc/97/46/47/371974647.db2.gz FDOWAJGTBFFAIM-MNOVXSKESA-N 1 0 214.378 1.566 10 0 BDAERO O[C@@H](c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000217409848 371949312 /nfs/dbraw/zinc/94/93/12/371949312.db2.gz UXGVCKWDOQPPBF-JTQLQIEISA-N 1 0 242.116 1.702 10 0 BDAERO CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2O)C1 ZINC000627763832 371953545 /nfs/dbraw/zinc/95/35/45/371953545.db2.gz FHZDHGUQBHRPPQ-LLVKDONJSA-N 1 0 248.326 1.525 10 0 BDAERO CN1CCO[C@@H]([C@@H]([NH3+])c2ccsc2)C1 ZINC000217874723 372021930 /nfs/dbraw/zinc/02/19/30/372021930.db2.gz CTTMPWQOEHGNHO-ZJUUUORDSA-N 1 0 212.318 1.079 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1cccc(Br)c1F ZINC000217906494 372025851 /nfs/dbraw/zinc/02/58/51/372025851.db2.gz ZWWFTQCXAJHRGA-ANLVUFKYSA-N 1 0 248.095 1.969 10 0 BDAERO CC(C)[C@@H](C[NH3+])Nc1ncncc1Cl ZINC000163687698 372030482 /nfs/dbraw/zinc/03/04/82/372030482.db2.gz DQNHOKCKQBJRCE-MRVPVSSYSA-N 1 0 214.700 1.525 10 0 BDAERO C[C@@](O)(Cc1nccs1)[C@H]1CCC[NH2+]1 ZINC000306571370 372039279 /nfs/dbraw/zinc/03/92/79/372039279.db2.gz FYCLFJGPCBOBGC-PSASIEDQSA-N 1 0 212.318 1.189 10 0 BDAERO OC1([C@H]2CCCC[NH2+]2)CCSCC1 ZINC000403618756 372010669 /nfs/dbraw/zinc/01/06/69/372010669.db2.gz WDFUGRWGVZBLLE-SECBINFHSA-N 1 0 201.335 1.387 10 0 BDAERO C[C@H]1CCSC(N[C@H]2CCN(C)C2)=[NH+]1 ZINC000133524518 372069008 /nfs/dbraw/zinc/06/90/08/372069008.db2.gz FTJQSJPZZGCTDX-IUCAKERBSA-N 1 0 213.350 1.162 10 0 BDAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC#N ZINC000306881888 372075110 /nfs/dbraw/zinc/07/51/10/372075110.db2.gz MOOPPRGUHTUCTJ-DGCLKSJQSA-N 1 0 215.300 1.578 10 0 BDAERO C[C@@H]1CCC[C@@H]([S@@](=O)C2C[NH2+]C2)C1 ZINC000307183690 372094006 /nfs/dbraw/zinc/09/40/06/372094006.db2.gz YTDDHZJCUAIEQG-JRKPZEMJSA-N 1 0 201.335 1.286 10 0 BDAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]2OCCC[C@H]21 ZINC000299806258 259549531 /nfs/dbraw/zinc/54/95/31/259549531.db2.gz NJLKXALZQYGBFI-AEJSXWLSSA-N 1 0 242.319 1.112 10 0 BDAERO [NH3+][C@@]1(c2ncncc2Cl)CCCOC1 ZINC000307644954 372134476 /nfs/dbraw/zinc/13/44/76/372134476.db2.gz WNVIABNHONFXFU-VIFPVBQESA-N 1 0 213.668 1.094 10 0 BDAERO CSCCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000229268355 372134723 /nfs/dbraw/zinc/13/47/23/372134723.db2.gz KPURLPIVBNXPMX-SNVBAGLBSA-N 1 0 232.393 1.619 10 0 BDAERO CC(C)C(=[NH2+])NC1CCS(=O)CC1 ZINC000229280536 372135647 /nfs/dbraw/zinc/13/56/47/372135647.db2.gz NFLBBNLBZZUPTK-UHFFFAOYSA-N 1 0 202.323 1.120 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000229300109 372139370 /nfs/dbraw/zinc/13/93/70/372139370.db2.gz CIEDRVVPQFBVCC-JHJVBQTASA-N 1 0 226.364 1.485 10 0 BDAERO CC1(C)CS[C@@](C)([C@@H]2CCOC2)[NH2+]1 ZINC000229666176 372179210 /nfs/dbraw/zinc/17/92/10/372179210.db2.gz HEXKLTDGLYHWOB-SCZZXKLOSA-N 1 0 201.335 1.854 10 0 BDAERO CSC1([C@H](O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000307592457 372130126 /nfs/dbraw/zinc/13/01/26/372130126.db2.gz FBGYNDDSUKTGNU-VHSXEESVSA-N 1 0 215.362 1.775 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000134204181 372179724 /nfs/dbraw/zinc/17/97/24/372179724.db2.gz DZLSBGAARVMNEL-VIFPVBQESA-N 1 0 208.236 1.546 10 0 BDAERO C[C@@H]1CN(Cc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000631838326 372632271 /nfs/dbraw/zinc/63/22/71/372632271.db2.gz MBTKSTBJAZVMSZ-KOLCDFICSA-N 1 0 240.297 1.991 10 0 BDAERO C[C@@H]1CN(CC(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000631843428 372640140 /nfs/dbraw/zinc/64/01/40/372640140.db2.gz NOLFNOZTHJEXBT-NEPJUHHUSA-N 1 0 247.342 1.152 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCc1nccs1 ZINC000054308884 182019349 /nfs/dbraw/zinc/01/93/49/182019349.db2.gz REOFFOSEJVKRFX-VIFPVBQESA-N 1 0 239.344 1.149 10 0 BDAERO CC[NH2+]Cc1cc2cccc3c2n(c1=O)CC3 ZINC000039288561 372932501 /nfs/dbraw/zinc/93/25/01/372932501.db2.gz FJNMGHGOXJCUGE-UHFFFAOYSA-N 1 0 228.295 1.667 10 0 BDAERO C[C@H]1CSCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000172435605 372974147 /nfs/dbraw/zinc/97/41/47/372974147.db2.gz NNOVCBBFSSZDRR-QWRGUYRKSA-N 1 0 247.404 1.600 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CC=CCC2)C1 ZINC000172486479 372990750 /nfs/dbraw/zinc/99/07/50/372990750.db2.gz YDTXZGNDVWTBGF-RYUDHWBXSA-N 1 0 237.347 1.441 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccsc1 ZINC000068915381 373089278 /nfs/dbraw/zinc/08/92/78/373089278.db2.gz GMKCEYFNKSZKMJ-UWVGGRQHSA-N 1 0 210.346 1.930 10 0 BDAERO CN1C[C@]([NH3+])(c2cccc(Cl)c2)CCC1=O ZINC000142203977 373112992 /nfs/dbraw/zinc/11/29/92/373112992.db2.gz OQAFXKBECRQFDD-LBPRGKRZSA-N 1 0 238.718 1.746 10 0 BDAERO CC(C)(C)OC(=O)CC[NH2+]CC1CCOCC1 ZINC000175998696 205581121 /nfs/dbraw/zinc/58/11/21/205581121.db2.gz BYCMBTBSWXLTDH-UHFFFAOYSA-N 1 0 243.347 1.734 10 0 BDAERO [NH3+][C@@H](Cc1ccsc1)c1ccncn1 ZINC000069639371 373563750 /nfs/dbraw/zinc/56/37/50/373563750.db2.gz NEUJRPQQAKPRKA-VIFPVBQESA-N 1 0 205.286 1.781 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN(C)Cc2ccccc2)C1 ZINC000040637338 373567175 /nfs/dbraw/zinc/56/71/75/373567175.db2.gz YKQKTSLSFMUPBD-KBPBESRZSA-N 1 0 234.343 1.495 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC[C@H](C)[C@H]([NH3+])C1 ZINC000069719055 373647960 /nfs/dbraw/zinc/64/79/60/373647960.db2.gz LLSLAVQZNVKVJV-GARJFASQSA-N 1 0 212.337 1.474 10 0 BDAERO C[C@@H]1CCCN(C(=O)C(F)(F)F)[C@@H]1C[NH3+] ZINC000069726262 373654343 /nfs/dbraw/zinc/65/43/43/373654343.db2.gz RMPJGAZBVNXROO-RNFRBKRXSA-N 1 0 224.226 1.135 10 0 BDAERO CC(C)([C@H]1CCCCC[NH2+]1)S(C)(=O)=O ZINC000069693092 373603409 /nfs/dbraw/zinc/60/34/09/373603409.db2.gz IAVXOPPMOKQODJ-SECBINFHSA-N 1 0 219.350 1.342 10 0 BDAERO CC(C)([C@@H]1CCCCC[NH2+]1)S(C)(=O)=O ZINC000069693088 373603679 /nfs/dbraw/zinc/60/36/79/373603679.db2.gz IAVXOPPMOKQODJ-VIFPVBQESA-N 1 0 219.350 1.342 10 0 BDAERO C[NH2+]CC[C@H]1CCCCN1C(=O)C(F)(F)F ZINC000069730903 373660420 /nfs/dbraw/zinc/66/04/20/373660420.db2.gz IIHFUYPDTGMQGB-MRVPVSSYSA-N 1 0 238.253 1.539 10 0 BDAERO [NH3+]Cc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000069803592 373822286 /nfs/dbraw/zinc/82/22/86/373822286.db2.gz HUMREWFTZLHDFL-UHFFFAOYSA-N 1 0 242.076 1.077 10 0 BDAERO Nc1cc[nH+]cc1[C@@H](O)c1cccs1 ZINC000069843346 373876844 /nfs/dbraw/zinc/87/68/44/373876844.db2.gz XWVMYKIBTFEHIJ-SNVBAGLBSA-N 1 0 206.270 1.807 10 0 BDAERO O=C(NCC[C@H]1CCCC[NH2+]1)c1ccc(O)cc1 ZINC000019428013 182200135 /nfs/dbraw/zinc/20/01/35/182200135.db2.gz XTNOKBMWQRSOBG-GFCCVEGCSA-N 1 0 248.326 1.654 10 0 BDAERO O=C(NCCc1cccc(O)c1)C1CC[NH2+]CC1 ZINC000169815621 182203586 /nfs/dbraw/zinc/20/35/86/182203586.db2.gz MSYPGVDNXQSVMS-UHFFFAOYSA-N 1 0 248.326 1.051 10 0 BDAERO C[C@H]([NH3+])Cc1noc([C@H]2CCCS2)n1 ZINC000070005052 374110288 /nfs/dbraw/zinc/11/02/88/374110288.db2.gz KQPHNBPMGKYDPF-NKWVEPMBSA-N 1 0 213.306 1.527 10 0 BDAERO O=C(c1cc(F)cc(F)c1)[C@H]1CCC[NH2+]1 ZINC000041225352 374121113 /nfs/dbraw/zinc/12/11/13/374121113.db2.gz WLWWKALPBAEUOK-SNVBAGLBSA-N 1 0 211.211 1.900 10 0 BDAERO Cc1ccsc1[C@H]1NC(=O)CC[C@H]1[NH3+] ZINC000070647501 374169446 /nfs/dbraw/zinc/16/94/46/374169446.db2.gz DPNJSBQAQLHLON-APPZFPTMSA-N 1 0 210.302 1.335 10 0 BDAERO C[C@H](C(=O)N[C@H]1C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246137075 374173581 /nfs/dbraw/zinc/17/35/81/374173581.db2.gz QHQDKZGDLJHXNR-ZIQFBCGOSA-N 1 0 224.348 1.772 10 0 BDAERO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1C[C@H]1C ZINC000246143663 374176597 /nfs/dbraw/zinc/17/65/97/374176597.db2.gz RSMVMAQHMSKDAA-VWYCJHECSA-N 1 0 227.352 1.424 10 0 BDAERO C[NH2+][C@@H](C)c1csc([C@@H]2CCOC2)n1 ZINC000070842126 374204597 /nfs/dbraw/zinc/20/45/97/374204597.db2.gz TVIRBLBCKHZMBE-JGVFFNPUSA-N 1 0 212.318 1.927 10 0 BDAERO C[C@H](C[NH3+])c1nccc(C(F)(F)F)n1 ZINC000070949233 374233301 /nfs/dbraw/zinc/23/33/01/374233301.db2.gz MOISVSZKVZBAJO-RXMQYKEDSA-N 1 0 205.183 1.558 10 0 BDAERO CCC1N=NC(=S)N1[C@@H]1CC[N@H+](C)C1 ZINC000042548372 374273639 /nfs/dbraw/zinc/27/36/39/374273639.db2.gz ZYBDCLHIZSOBGK-SSDOTTSWSA-N 1 0 212.322 1.006 10 0 BDAERO CCC1N=NC(=S)N1[C@H]1CC[N@H+](C)C1 ZINC000042548376 374274810 /nfs/dbraw/zinc/27/48/10/374274810.db2.gz ZYBDCLHIZSOBGK-ZETCQYMHSA-N 1 0 212.322 1.006 10 0 BDAERO CCCCNC(=O)[C@H](C)[NH2+]CC(C)C ZINC000034938736 168858743 /nfs/dbraw/zinc/85/87/43/168858743.db2.gz UMGURNPZIPMLSY-JTQLQIEISA-N 1 0 200.326 1.537 10 0 BDAERO O=C(N[C@@H]1C[NH2+]C[C@H]1F)OCc1ccccc1 ZINC000083317132 182314006 /nfs/dbraw/zinc/31/40/06/182314006.db2.gz KZWUUEWPRQZDNF-GHMZBOCLSA-N 1 0 238.262 1.223 10 0 BDAERO O=C(N[C@H]1CCCc2occc21)[C@@H]1CC[NH2+]C1 ZINC000062116065 182335125 /nfs/dbraw/zinc/33/51/25/182335125.db2.gz RWZOEZWGHOBEFR-KOLCDFICSA-N 1 0 234.299 1.383 10 0 BDAERO O=C(Nc1ccc2[nH]cnc2c1)C1CC[NH2+]CC1 ZINC000082259193 182362092 /nfs/dbraw/zinc/36/20/92/182362092.db2.gz LKFUDZFGZINDPE-UHFFFAOYSA-N 1 0 244.298 1.501 10 0 BDAERO CCCC[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000037876112 168867740 /nfs/dbraw/zinc/86/77/40/168867740.db2.gz VLCVNEBTCCKSTO-NSHDSACASA-N 1 0 237.299 1.838 10 0 BDAERO O=C(Nc1cccc2n[nH]cc21)[C@@H]1CCC[NH2+]C1 ZINC000037769532 182372934 /nfs/dbraw/zinc/37/29/34/182372934.db2.gz WBKAXQHOLLWUBV-SECBINFHSA-N 1 0 244.298 1.501 10 0 BDAERO O=C(Nc1cccc2c1C[NH2+]CC2)[C@H]1CCOC1 ZINC000123540165 182373279 /nfs/dbraw/zinc/37/32/79/182373279.db2.gz ZPKGIDSTAUORQG-NSHDSACASA-N 1 0 246.310 1.307 10 0 BDAERO O=C([C@H]1CCC[NH2+]1)N(Cc1ccco1)C1CC1 ZINC000037806078 182635420 /nfs/dbraw/zinc/63/54/20/182635420.db2.gz MCLHZWFAXMPGMO-GFCCVEGCSA-N 1 0 234.299 1.523 10 0 BDAERO COCCC[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000178357170 134308612 /nfs/dbraw/zinc/30/86/12/134308612.db2.gz JKURANMQAXYQKV-QWRGUYRKSA-N 1 0 238.335 1.518 10 0 BDAERO O=C1CCCC(=O)N1CCC[C@@H]1CCC[NH2+]1 ZINC000052764861 182725809 /nfs/dbraw/zinc/72/58/09/182725809.db2.gz RRCVNQLZAVGAML-JTQLQIEISA-N 1 0 224.304 1.058 10 0 BDAERO O=C1CN(Cc2ccccc2)[C@@H]2C[NH2+]CC[C@@H]12 ZINC000082347050 182761941 /nfs/dbraw/zinc/76/19/41/182761941.db2.gz RNZUGPMUOMRDLH-CHWSQXEVSA-N 1 0 230.311 1.049 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+][C@](C)(CO)C(C)C ZINC000352894972 168905670 /nfs/dbraw/zinc/90/56/70/168905670.db2.gz UTIHTDPNGYPFHB-QWHCGFSZSA-N 1 0 247.379 1.161 10 0 BDAERO O=C1c2ccccc2C(=O)N1C[C@@H]1CCC[NH2+]C1 ZINC000019513369 182844672 /nfs/dbraw/zinc/84/46/72/182844672.db2.gz BDHKFLLJZKAXII-SNVBAGLBSA-N 1 0 244.294 1.282 10 0 BDAERO O=S(=O)(C1CCCC1)C1CC[NH2+]CC1 ZINC000083257068 182882903 /nfs/dbraw/zinc/88/29/03/182882903.db2.gz JWVOLRRXTZMCFE-UHFFFAOYSA-N 1 0 217.334 1.096 10 0 BDAERO O=[S@@](c1nc2ccccc2[nH]1)[C@H]1CCC[NH2+]C1 ZINC000095073397 182964916 /nfs/dbraw/zinc/96/49/16/182964916.db2.gz JZWMASVTJBGJDZ-XYZCENFISA-N 1 0 249.339 1.423 10 0 BDAERO O=c1cc(C2CCCC2)nc([C@@H]2CCC[NH2+]2)[nH]1 ZINC000083333009 182993085 /nfs/dbraw/zinc/99/30/85/182993085.db2.gz XULKRIQCOPOPIK-JTQLQIEISA-N 1 0 233.315 1.852 10 0 BDAERO O=c1ccccn1CC[C@@H]1CCC[NH2+]C1 ZINC000051919799 183002049 /nfs/dbraw/zinc/00/20/49/183002049.db2.gz SYBMPPGAKOZFNR-NSHDSACASA-N 1 0 206.289 1.238 10 0 BDAERO O=c1ccn(CC[NH2+]C2CCCC2)cc1 ZINC000061628589 183003970 /nfs/dbraw/zinc/00/39/70/183003970.db2.gz WNSKRZMJZHJXKA-UHFFFAOYSA-N 1 0 206.289 1.381 10 0 BDAERO O=c1n2ccccc2nn1CCCC[NH2+]C1CC1 ZINC000053523186 183007617 /nfs/dbraw/zinc/00/76/17/183007617.db2.gz KOSNNZPVVYXNAI-UHFFFAOYSA-N 1 0 246.314 1.028 10 0 BDAERO O=c1n2ccccc2nn1CC[NH2+]C1CCCC1 ZINC000049948403 183008721 /nfs/dbraw/zinc/00/87/21/183008721.db2.gz SOJZCKAMEKLJBM-UHFFFAOYSA-N 1 0 246.314 1.028 10 0 BDAERO CCCC[C@@H]([NH3+])c1nnc2cnccn21 ZINC000035452301 168971200 /nfs/dbraw/zinc/97/12/00/168971200.db2.gz OLWRWYWWAPYDHQ-MRVPVSSYSA-N 1 0 205.265 1.314 10 0 BDAERO OCCCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128256563 183045483 /nfs/dbraw/zinc/04/54/83/183045483.db2.gz LDPJVPBYWCIIFJ-UONOGXRCSA-N 1 0 241.375 1.776 10 0 BDAERO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc[nH]c1 ZINC000128099418 183032058 /nfs/dbraw/zinc/03/20/58/183032058.db2.gz XHQQUHNKUMTVCR-FOSCPWQOSA-N 1 0 206.289 1.502 10 0 BDAERO OCC1([NH+]2CCNCC2)CCCCCCC1 ZINC000038120684 183037001 /nfs/dbraw/zinc/03/70/01/183037001.db2.gz RUWHJFFJCYNJJO-UHFFFAOYSA-N 1 0 226.364 1.367 10 0 BDAERO OCC1([NH2+]C[C@H]2CCCO2)CCSCC1 ZINC000041058901 183038254 /nfs/dbraw/zinc/03/82/54/183038254.db2.gz VHKLFEAGGDSAEX-SNVBAGLBSA-N 1 0 231.361 1.013 10 0 BDAERO OCCC[NH2+][C@@H]1CCOc2ccccc21 ZINC000020188398 183059179 /nfs/dbraw/zinc/05/91/79/183059179.db2.gz YEMKCSKOPWOLAW-LLVKDONJSA-N 1 0 207.273 1.482 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000052762386 183063021 /nfs/dbraw/zinc/06/30/21/183063021.db2.gz NKJYLFXYMWPOEB-AWEZNQCLSA-N 1 0 240.391 1.709 10 0 BDAERO OCCOCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309528201 183081523 /nfs/dbraw/zinc/08/15/23/183081523.db2.gz VIDWVEGEYMRZCV-NWDGAFQWSA-N 1 0 233.327 1.503 10 0 BDAERO OCC[C@@H]([NH2+]C1CC1)[C@H]1COc2ccccc2O1 ZINC000095078815 183089759 /nfs/dbraw/zinc/08/97/59/183089759.db2.gz OIFBWWUVOAYMDZ-BXUZGUMPSA-N 1 0 249.310 1.329 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000300399624 183116937 /nfs/dbraw/zinc/11/69/37/183116937.db2.gz ZTBYJOCBJHJSHB-WOPDTQHZSA-N 1 0 229.389 1.880 10 0 BDAERO CCCC[C@H]([NH3+])CN(CCCOC)CCOC ZINC000042425451 169008847 /nfs/dbraw/zinc/00/88/47/169008847.db2.gz OHDJNMQNMHLZKR-ZDUSSCGKSA-N 1 0 246.395 1.489 10 0 BDAERO OCCn1c2ccccc2nc1[C@H]1CCCC[NH2+]1 ZINC000037900713 183103517 /nfs/dbraw/zinc/10/35/17/183103517.db2.gz PWKKKLHPZUPXNY-GFCCVEGCSA-N 1 0 245.326 1.843 10 0 BDAERO CCCCc1nc(Cl)c(C[NH2+]CCO)[nH]1 ZINC000083358430 169025961 /nfs/dbraw/zinc/02/59/61/169025961.db2.gz LSCSAOSPJMWNFD-UHFFFAOYSA-N 1 0 231.727 1.488 10 0 BDAERO OC[C@@H]1[NH2+]CCc2c(Cl)cc(O)cc21 ZINC000075772287 183131057 /nfs/dbraw/zinc/13/10/57/183131057.db2.gz SQTYBFOIMXXNAP-JTQLQIEISA-N 1 0 213.664 1.225 10 0 BDAERO OC[C@@H]1[NH2+]CCc2c(Br)cccc21 ZINC000083731822 183131373 /nfs/dbraw/zinc/13/13/73/183131373.db2.gz CIEONVMAFJNKPK-JTQLQIEISA-N 1 0 242.116 1.628 10 0 BDAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cocn1 ZINC000192316753 183148761 /nfs/dbraw/zinc/14/87/61/183148761.db2.gz SARNZFJCSNPLQG-KOLCDFICSA-N 1 0 210.277 1.315 10 0 BDAERO CCCCn1ccnc1C[NH2+]CCCOC ZINC000022862344 169037136 /nfs/dbraw/zinc/03/71/36/169037136.db2.gz IYCUCHLRFFKVOH-UHFFFAOYSA-N 1 0 225.336 1.809 10 0 BDAERO OC[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC000095933403 183156856 /nfs/dbraw/zinc/15/68/56/183156856.db2.gz NPXNRVJZKSOYFA-GFCCVEGCSA-N 1 0 219.284 1.329 10 0 BDAERO OC[C@]1(Cc2ccccc2F)CCC[NH2+]C1 ZINC000067851754 183158060 /nfs/dbraw/zinc/15/80/60/183158060.db2.gz CVGNAKBXCGQGME-ZDUSSCGKSA-N 1 0 223.291 1.730 10 0 BDAERO CCCN(C(=O)C1([NH3+])CCCC1)C1CC1 ZINC000037479451 169040992 /nfs/dbraw/zinc/04/09/92/169040992.db2.gz XOHXSJBWVMIQFM-UHFFFAOYSA-N 1 0 210.321 1.659 10 0 BDAERO O[C@@H](C[NH2+]C1CC1)c1c[nH]c2ccccc21 ZINC000071519736 183178122 /nfs/dbraw/zinc/17/81/22/183178122.db2.gz KNBGWEDDDFNTGI-ZDUSSCGKSA-N 1 0 216.284 1.953 10 0 BDAERO O[C@@H](C[NH2+][C@@H]1CCOc2ccccc21)C1CC1 ZINC000071300003 183180828 /nfs/dbraw/zinc/18/08/28/183180828.db2.gz RRECCKGSMPZUFN-OLZOCXBDSA-N 1 0 233.311 1.871 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000089162620 183195978 /nfs/dbraw/zinc/19/59/78/183195978.db2.gz MSLFZCIQZHOXHK-ZYHUDNBSSA-N 1 0 249.310 1.666 10 0 BDAERO O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]1 ZINC000036160534 183185619 /nfs/dbraw/zinc/18/56/19/183185619.db2.gz RLTPQNMCUMVLMJ-CABZTGNLSA-N 1 0 221.256 1.201 10 0 BDAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000037894919 183188440 /nfs/dbraw/zinc/18/84/40/183188440.db2.gz VFWSZNIUDCMVLH-UONOGXRCSA-N 1 0 234.343 1.907 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000052013563 183189584 /nfs/dbraw/zinc/18/95/84/183189584.db2.gz AQBVSROMDCZGHA-DTWKUNHWSA-N 1 0 245.273 1.671 10 0 BDAERO O[C@@H]1CCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000037718332 183195800 /nfs/dbraw/zinc/19/58/00/183195800.db2.gz HRASUTFJLDODDI-NWDGAFQWSA-N 1 0 206.289 1.127 10 0 BDAERO O[C@@H]1CCC[C@@H]1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942167 183195939 /nfs/dbraw/zinc/19/59/39/183195939.db2.gz QUICEFGTZGPJLX-MGPQQGTHSA-N 1 0 238.375 1.318 10 0 BDAERO O[C@@]1(c2ccc(F)c(F)c2)CCC[NH2+]C1 ZINC000071518693 183218164 /nfs/dbraw/zinc/21/81/64/183218164.db2.gz MLXYLFSLDDEIQH-NSHDSACASA-N 1 0 213.227 1.536 10 0 BDAERO O[C@H](C[NH+]1CCCCCC1)c1cccnc1 ZINC000032013754 183220195 /nfs/dbraw/zinc/22/01/95/183220195.db2.gz UHYMIMUGDIKXDV-CYBMUJFWSA-N 1 0 220.316 1.991 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000038045254 183231053 /nfs/dbraw/zinc/23/10/53/183231053.db2.gz QSWGKWUZRREYGJ-AVGNSLFASA-N 1 0 227.348 1.696 10 0 BDAERO O[C@H](C[NH2+]C1CC1)Cc1ccc(F)c(F)c1 ZINC000071533057 183222763 /nfs/dbraw/zinc/22/27/63/183222763.db2.gz WOYJTYRDKCGPNC-JTQLQIEISA-N 1 0 227.254 1.620 10 0 BDAERO O[C@H](C[NH2+]C[C@@H]1CCOC1)c1ccccc1F ZINC000038094545 183224086 /nfs/dbraw/zinc/22/40/86/183224086.db2.gz LAGOGTRNYKMPPK-GXFFZTMASA-N 1 0 239.290 1.485 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000037894916 183231144 /nfs/dbraw/zinc/23/11/44/183231144.db2.gz VFWSZNIUDCMVLH-KGLIPLIRSA-N 1 0 234.343 1.907 10 0 BDAERO O[C@H](c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000036161908 183228830 /nfs/dbraw/zinc/22/88/30/183228830.db2.gz NWCRQXSXIVIEKE-BXKDBHETSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@H]1CCCC[C@@H]1[N@@H+]1CCC2(C1)CCOCC2 ZINC000306027691 183231269 /nfs/dbraw/zinc/23/12/69/183231269.db2.gz KPARGKIBTJCJMP-STQMWFEESA-N 1 0 239.359 1.792 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009782 183231794 /nfs/dbraw/zinc/23/17/94/183231794.db2.gz FLBKYHYUECZKAN-RDBSUJKOSA-N 1 0 247.338 1.883 10 0 BDAERO CCC[N@H+](CC(=O)OC)[C@H]1CCCC[C@@H]1O ZINC000050065687 169101920 /nfs/dbraw/zinc/10/19/20/169101920.db2.gz RWAKFUPSPRCSCM-QWRGUYRKSA-N 1 0 229.320 1.175 10 0 BDAERO O[C@]1(Cc2cccc(Cl)c2)CCC[NH2+]C1 ZINC000071532588 183251244 /nfs/dbraw/zinc/25/12/44/183251244.db2.gz BZRSNJDSWXLBTQ-LBPRGKRZSA-N 1 0 225.719 1.997 10 0 BDAERO O[C@]1(c2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000071518438 183251274 /nfs/dbraw/zinc/25/12/74/183251274.db2.gz XYQUPAHDQDEJAO-LLVKDONJSA-N 1 0 211.692 1.911 10 0 BDAERO O[C@]1(c2cccs2)C[NH+]2CCC1CC2 ZINC000013740296 183252538 /nfs/dbraw/zinc/25/25/38/183252538.db2.gz ZKPUVCWMJJDKRD-LLVKDONJSA-N 1 0 209.314 1.661 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH+]1CCN(CC2CC2)CC1 ZINC000042490926 183232945 /nfs/dbraw/zinc/23/29/45/183232945.db2.gz FFFBRKAGVZNTDP-KGLIPLIRSA-N 1 0 238.375 1.318 10 0 BDAERO O[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000085576448 183233438 /nfs/dbraw/zinc/23/34/38/183233438.db2.gz SKNHKZRADAGNQL-OLZOCXBDSA-N 1 0 217.312 1.783 10 0 BDAERO O[C@H]1CCC[C@H]1CN1CC[NH+](CC2CC2)CC1 ZINC000053924384 183236979 /nfs/dbraw/zinc/23/69/79/183236979.db2.gz ABSCUNAOIBYAGL-KBPBESRZSA-N 1 0 238.375 1.175 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000084224949 183237592 /nfs/dbraw/zinc/23/75/92/183237592.db2.gz HYHRYHJRMHYRRQ-QWRGUYRKSA-N 1 0 211.330 1.999 10 0 BDAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C[C@@H]1CCCO1 ZINC000019963825 183281451 /nfs/dbraw/zinc/28/14/51/183281451.db2.gz BHWVJDQIRGFEJL-CMPLNLGQSA-N 1 0 235.283 1.594 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H]1CCCOC1 ZINC000038044170 183281765 /nfs/dbraw/zinc/28/17/65/183281765.db2.gz GFTRCJUWRJJOFB-MFKMUULPSA-N 1 0 249.310 1.842 10 0 BDAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C[C@@H](O)C1CC1 ZINC000071299819 183281775 /nfs/dbraw/zinc/28/17/75/183281775.db2.gz MVLMYTBBFGUZKJ-VXGBXAGGSA-N 1 0 235.283 1.186 10 0 BDAERO CCCN(CCC[NH3+])CC(=O)NCCC(C)C ZINC000049283822 169156305 /nfs/dbraw/zinc/15/63/05/169156305.db2.gz SFPKETFATXZYIE-UHFFFAOYSA-N 1 0 243.395 1.210 10 0 BDAERO CCC[N@H+](CCN(C)C)C[C@H]1CCCC[C@@H]1O ZINC000053923420 169157362 /nfs/dbraw/zinc/15/73/62/169157362.db2.gz MBCWSZDDDIKNNW-KGLIPLIRSA-N 1 0 242.407 1.811 10 0 BDAERO CCCN(CCO)[C@H](C[NH3+])c1cccc(C)c1 ZINC000042966971 169167369 /nfs/dbraw/zinc/16/73/69/169167369.db2.gz JDHMNELJFIZSPZ-CQSZACIVSA-N 1 0 236.359 1.699 10 0 BDAERO CCCN(CCO)[C@H](C[NH3+])c1cccc(F)c1 ZINC000042972428 169167635 /nfs/dbraw/zinc/16/76/35/169167635.db2.gz NFNDRDVIJRRCFJ-CYBMUJFWSA-N 1 0 240.322 1.530 10 0 BDAERO CCCN1C(=O)C[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1=O ZINC000103895471 169184517 /nfs/dbraw/zinc/18/45/17/169184517.db2.gz CVXKPLOESMJXBF-AXFHLTTASA-N 1 0 238.331 1.302 10 0 BDAERO CCCN1CCC([NH2+][C@H](C)CC)(C(N)=O)CC1 ZINC000038064881 169189847 /nfs/dbraw/zinc/18/98/47/169189847.db2.gz CQTYISDZWZDQDS-LLVKDONJSA-N 1 0 241.379 1.104 10 0 BDAERO CCC[NH+]1CCC(Nc2cnn(C)c2)CC1 ZINC000035737876 169190075 /nfs/dbraw/zinc/19/00/75/169190075.db2.gz JFDMKOOYOCYYOM-UHFFFAOYSA-N 1 0 222.336 1.706 10 0 BDAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C(=O)[O-])C1 ZINC000049355956 169198702 /nfs/dbraw/zinc/19/87/02/169198702.db2.gz GIICBMOASSHYPM-WOPDTQHZSA-N 1 0 242.363 1.560 10 0 BDAERO CCC[NH+]1CCN(C[C@H]2CCC[C@@H]2[NH2+]C)CC1 ZINC000053860721 169202566 /nfs/dbraw/zinc/20/25/66/169202566.db2.gz IZPDYOCLQMCIQE-KGLIPLIRSA-N 1 0 239.407 1.402 10 0 BDAERO c1cc(CC[NH2+][C@H]2CCN3CCC[C@H]23)ccn1 ZINC000049567828 183338005 /nfs/dbraw/zinc/33/80/05/183338005.db2.gz YXSFGQQPAFVCQS-UONOGXRCSA-N 1 0 231.343 1.450 10 0 BDAERO CCCNC(=O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852806 169229492 /nfs/dbraw/zinc/22/94/92/169229492.db2.gz RXIACDHRQQNBLC-GFCCVEGCSA-N 1 0 248.326 1.495 10 0 BDAERO c1cc(C[NH2+]C[C@H]2CCCCO2)ncn1 ZINC000054789830 183349730 /nfs/dbraw/zinc/34/97/30/183349730.db2.gz ABPTUZFSVLVPBQ-LLVKDONJSA-N 1 0 207.277 1.135 10 0 BDAERO c1cc(C[NH2+]C[C@@H]2CC23CCOCC3)c[nH]1 ZINC000309665240 183349987 /nfs/dbraw/zinc/34/99/87/183349987.db2.gz HLKPBMOTLDQOEK-LBPRGKRZSA-N 1 0 220.316 1.921 10 0 BDAERO CCCNC(=[NH2+])Nc1ccc2c(c1)OCO2 ZINC000052069103 169212764 /nfs/dbraw/zinc/21/27/64/169212764.db2.gz RWOYAAPWDHOJTR-UHFFFAOYSA-N 1 0 221.260 1.762 10 0 BDAERO CCCNC(=O)Cc1sc(CC[NH3+])nc1C ZINC000049830719 169233583 /nfs/dbraw/zinc/23/35/83/169233583.db2.gz QJEJXFGEMRIEPY-UHFFFAOYSA-N 1 0 241.360 1.021 10 0 BDAERO c1cc(C2CC2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000070951567 183335462 /nfs/dbraw/zinc/33/54/62/183335462.db2.gz QYKVBYQSNNEGRI-SNVBAGLBSA-N 1 0 203.289 1.821 10 0 BDAERO c1cc2nc([C@H]3CCCC[NH2+]3)nc-2c[nH]1 ZINC000070801308 183363644 /nfs/dbraw/zinc/36/36/44/183363644.db2.gz FXLAKNBXEKIFKF-SECBINFHSA-N 1 0 202.261 1.773 10 0 BDAERO c1[nH]nc2ccc(O[C@H]3CC[NH2+]C3)cc12 ZINC000089196692 183364763 /nfs/dbraw/zinc/36/47/63/183364763.db2.gz WFAFQFQJBUXEOC-JTQLQIEISA-N 1 0 203.245 1.304 10 0 BDAERO CCC[NH2+]CC(=O)c1ccc(OC)c(OC)c1 ZINC000041613440 169255918 /nfs/dbraw/zinc/25/59/18/169255918.db2.gz KKHAPJOHVLHOFB-UHFFFAOYSA-N 1 0 237.299 1.886 10 0 BDAERO CCC[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000042222413 169256746 /nfs/dbraw/zinc/25/67/46/169256746.db2.gz FIISTQBDESTBEM-UHFFFAOYSA-N 1 0 246.310 1.672 10 0 BDAERO CCC[NH2+]CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000103656126 169257847 /nfs/dbraw/zinc/25/78/47/169257847.db2.gz WWJODWKKLHAJLT-QWRGUYRKSA-N 1 0 238.331 1.161 10 0 BDAERO CCC[NH2+]CCN1CCCC[C@H]1CCO ZINC000042409289 169258559 /nfs/dbraw/zinc/25/85/59/169258559.db2.gz VVPKVYKJACHHMV-LBPRGKRZSA-N 1 0 214.353 1.223 10 0 BDAERO CCC[NH2+]CCN1CCCC[C@@H]1CCO ZINC000042409288 169258714 /nfs/dbraw/zinc/25/87/14/169258714.db2.gz VVPKVYKJACHHMV-GFCCVEGCSA-N 1 0 214.353 1.223 10 0 BDAERO c1cc(C[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000082322020 183369027 /nfs/dbraw/zinc/36/90/27/183369027.db2.gz ZTCJTZQPBRIYIJ-LBPRGKRZSA-N 1 0 203.285 1.916 10 0 BDAERO c1cc([C@@H]2[NH2+]CCS2)cc2c1OCO2 ZINC000034238698 183372260 /nfs/dbraw/zinc/37/22/60/183372260.db2.gz KMGUFHCMWXZTMY-SNVBAGLBSA-N 1 0 209.270 1.750 10 0 BDAERO CCCNC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000036263645 169239203 /nfs/dbraw/zinc/23/92/03/169239203.db2.gz PEXIPKTVYGEYCA-JTQLQIEISA-N 1 0 225.336 1.370 10 0 BDAERO c1cc2sc(C[C@@H]3COCC[NH2+]3)nc2cn1 ZINC000076167368 183378374 /nfs/dbraw/zinc/37/83/74/183378374.db2.gz ZEYCDRZVERLDKF-MRVPVSSYSA-N 1 0 235.312 1.222 10 0 BDAERO CCC[NH2+]C[C@H](O)c1ccc(N(C)C)cc1 ZINC000032014361 169264466 /nfs/dbraw/zinc/26/44/66/169264466.db2.gz POUPGFLZBRMVMH-ZDUSSCGKSA-N 1 0 222.332 1.786 10 0 BDAERO c1ccc(CC[NH2+]C[C@@H]2CCOC2)nc1 ZINC000019916852 183394077 /nfs/dbraw/zinc/39/40/77/183394077.db2.gz QJTXTUSJDCXMJR-NSHDSACASA-N 1 0 206.289 1.250 10 0 BDAERO CCC[NH2+]Cc1ccc(O[C@H](C)C(N)=O)cc1 ZINC000034657821 169268079 /nfs/dbraw/zinc/26/80/79/169268079.db2.gz WSPDEOYUTDUNEX-SNVBAGLBSA-N 1 0 236.315 1.439 10 0 BDAERO c1ccc(C[N@@H+]2CCC[C@@]3(COCCN3)C2)cc1 ZINC000096964518 183398436 /nfs/dbraw/zinc/39/84/36/183398436.db2.gz HFYRDSOICUEMSV-HNNXBMFYSA-N 1 0 246.354 1.641 10 0 BDAERO CCCNS(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000020188166 169272443 /nfs/dbraw/zinc/27/24/43/169272443.db2.gz IGOUOGDORFPUKW-UHFFFAOYSA-N 1 0 242.344 1.094 10 0 BDAERO CCC[NH2+][C@@H]1COc2cccc(O)c2C1 ZINC000034189689 169283298 /nfs/dbraw/zinc/28/32/98/169283298.db2.gz LVGZMSLJNXRODJ-VIFPVBQESA-N 1 0 207.273 1.695 10 0 BDAERO CCCO[C@@H]1CCCN([C@@H]2CCC[NH2+]C2)C1 ZINC000042422761 169311876 /nfs/dbraw/zinc/31/18/76/169311876.db2.gz QFOOTLCSSJNUGT-CHWSQXEVSA-N 1 0 226.364 1.629 10 0 BDAERO CCCOc1cc(OC)ccc1CC[NH3+] ZINC000011955759 169315892 /nfs/dbraw/zinc/31/58/92/169315892.db2.gz ZFKWZLUSWPTTRW-UHFFFAOYSA-N 1 0 209.289 1.985 10 0 BDAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2ccccn2)C1=O ZINC000049648728 169291855 /nfs/dbraw/zinc/29/18/55/169291855.db2.gz LDJSJDLSUXFFSZ-AAEUAGOBSA-N 1 0 247.342 1.743 10 0 BDAERO c1nn(CC[NH2+]C[C@@H]2CCCO2)c2ccccc12 ZINC000053536644 183455094 /nfs/dbraw/zinc/45/50/94/183455094.db2.gz ROCGLAXAJZYAEI-ZDUSSCGKSA-N 1 0 245.326 1.805 10 0 BDAERO CCCOc1cccc(C[NH2+][C@@H](C)C(N)=O)c1 ZINC000037996802 169324615 /nfs/dbraw/zinc/32/46/15/169324615.db2.gz IFAQTZCUARVKIX-JTQLQIEISA-N 1 0 236.315 1.439 10 0 BDAERO CCCOc1ccccc1OC[C@@H](O)C[NH3+] ZINC000019388006 169327541 /nfs/dbraw/zinc/32/75/41/169327541.db2.gz MJMOSWOSIXRWLM-JTQLQIEISA-N 1 0 225.288 1.174 10 0 BDAERO CCCOc1ccccc1[C@@](C)(O)C[NH2+]C ZINC000032014621 169328408 /nfs/dbraw/zinc/32/84/08/169328408.db2.gz PVDQJDDHHDUGOM-ZDUSSCGKSA-N 1 0 223.316 1.902 10 0 BDAERO c1cnc(OCC[C@H]2CCC[NH2+]C2)cn1 ZINC000051918662 183483307 /nfs/dbraw/zinc/48/33/07/183483307.db2.gz AJVULHBKBKWZEW-SNVBAGLBSA-N 1 0 207.277 1.245 10 0 BDAERO CCC[C@@H](C)NC(=O)C[NH2+][C@H](CO)CC(C)C ZINC000049288205 169367729 /nfs/dbraw/zinc/36/77/29/169367729.db2.gz SPHNISCCSSCETJ-NEPJUHHUSA-N 1 0 244.379 1.288 10 0 BDAERO c1cnc2[nH]c(OCC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092488 183486800 /nfs/dbraw/zinc/48/68/00/183486800.db2.gz MQCRWJRAZCEFBJ-JTQLQIEISA-N 1 0 246.314 1.726 10 0 BDAERO CCC[C@@H](C(=O)NC[C@H](C)SC)[NH+](C)C ZINC000120340018 169344913 /nfs/dbraw/zinc/34/49/13/169344913.db2.gz DXMFRUGTNNWTMO-UWVGGRQHSA-N 1 0 232.393 1.584 10 0 BDAERO CCC[C@@H](C(=O)Nc1ccccn1)[NH+](C)C ZINC000159098060 169346500 /nfs/dbraw/zinc/34/65/00/169346500.db2.gz RCPNQTVMAGYMPD-JTQLQIEISA-N 1 0 221.304 1.750 10 0 BDAERO CCC[C@@H](C)C[NH2+]CCN1CCOCC1 ZINC000020091450 169358897 /nfs/dbraw/zinc/35/88/97/169358897.db2.gz VVIOYKOXDMDBDI-GFCCVEGCSA-N 1 0 214.353 1.344 10 0 BDAERO CC(C)(C)[NH2+]C[C@@H](O)COC(=O)C1CCCC1 ZINC000025969584 166633996 /nfs/dbraw/zinc/63/39/96/166633996.db2.gz RRXHKQAXHKVXSZ-LLVKDONJSA-N 1 0 243.347 1.469 10 0 BDAERO CCC[C@@H]([NH3+])CN1CCOC(C)(C)C1 ZINC000036873709 169392731 /nfs/dbraw/zinc/39/27/31/169392731.db2.gz CLJCOCAGHZSLBL-SNVBAGLBSA-N 1 0 200.326 1.225 10 0 BDAERO CCC[C@@H]([NH3+])Cc1nc(-c2ncccn2)no1 ZINC000110461264 169393211 /nfs/dbraw/zinc/39/32/11/169393211.db2.gz HHCXFXVQFCWURD-MRVPVSSYSA-N 1 0 233.275 1.197 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(-c2cscn2)n1 ZINC000062361920 169395293 /nfs/dbraw/zinc/39/52/93/169395293.db2.gz SDQPMQFDCBQQDO-ZCFIWIBFSA-N 1 0 224.289 1.993 10 0 BDAERO CCC[C@@H]([NH3+])c1noc(C(F)(F)F)n1 ZINC000036765062 169395364 /nfs/dbraw/zinc/39/53/64/169395364.db2.gz KBFASKYNFWOXOH-SCSAIBSYSA-N 1 0 209.171 1.888 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(N)=O ZINC000309201354 169419888 /nfs/dbraw/zinc/41/98/88/169419888.db2.gz RILIGEYBYFNMMS-HBNTYKKESA-N 1 0 212.337 1.809 10 0 BDAERO c1nc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)no1 ZINC000037918082 183529232 /nfs/dbraw/zinc/52/92/32/183529232.db2.gz FHNLBNUHBPQSGQ-QWRGUYRKSA-N 1 0 236.319 1.034 10 0 BDAERO CCC[C@@](C)(C(=O)OCC)N1CCC[NH2+]CC1 ZINC000037959514 169446596 /nfs/dbraw/zinc/44/65/96/169446596.db2.gz YRCQGJQNAJEVDJ-ZDUSSCGKSA-N 1 0 242.363 1.404 10 0 BDAERO CCC[C@@](C)([NH3+])C(=O)N1C[C@H](C)OC[C@@H]1CC ZINC000037621529 169450295 /nfs/dbraw/zinc/45/02/95/169450295.db2.gz BMXUSCWCFWVGSL-GMXVVIOVSA-N 1 0 242.363 1.530 10 0 BDAERO CCCc1ccc(N2C[C@H]([NH3+])CC2=O)cc1 ZINC000035679543 169571423 /nfs/dbraw/zinc/57/14/23/169571423.db2.gz LLZMEXMKHZFDRK-LLVKDONJSA-N 1 0 218.300 1.703 10 0 BDAERO CC[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000053883963 171105601 /nfs/dbraw/zinc/10/56/01/171105601.db2.gz IZWHHLQSTWBFBD-RQJABVFESA-N 1 0 241.375 1.894 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](O)COC)C1 ZINC000228159517 259636421 /nfs/dbraw/zinc/63/64/21/259636421.db2.gz KESQSNQNAHTFLL-GRYCIOLGSA-N 1 0 215.337 1.552 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1C(=O)NCCCC1CCCC1 ZINC000227422415 134380088 /nfs/dbraw/zinc/38/00/88/134380088.db2.gz FGIJIQBSEQTTNE-WCQYABFASA-N 1 0 238.375 1.929 10 0 BDAERO C(c1noc(C[C@H]2CCC[NH2+]C2)n1)C1CC1 ZINC000087580384 383851634 /nfs/dbraw/zinc/85/16/34/383851634.db2.gz UNQQVJIIRWGQBS-SNVBAGLBSA-N 1 0 221.304 1.564 10 0 BDAERO CC[C@@](C)(CCO)Nc1ccnc(C)n1 ZINC000131836215 383869842 /nfs/dbraw/zinc/86/98/42/383869842.db2.gz OLILBZUEGMWCRP-NSHDSACASA-N 1 0 209.293 1.748 10 0 BDAERO CC(=O)c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000036825982 383913196 /nfs/dbraw/zinc/91/31/96/383913196.db2.gz URJXKIQCZAUWQC-UHFFFAOYSA-N 1 0 218.300 1.689 10 0 BDAERO CN(C)c1ncc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1C ZINC000647251700 383892217 /nfs/dbraw/zinc/89/22/17/383892217.db2.gz HKNMZPBVMQQJAC-CYZMBNFOSA-N 1 0 248.374 1.764 10 0 BDAERO CC(C)C[C@H](C[NH3+])CC(=O)OCCOC(C)C ZINC000088273487 383892684 /nfs/dbraw/zinc/89/26/84/383892684.db2.gz AESNNDOEDQNWKV-LBPRGKRZSA-N 1 0 245.363 1.966 10 0 BDAERO C[NH2+][C@](C)(C(N)=O)c1ccc(C)cc1C ZINC000037458983 383978781 /nfs/dbraw/zinc/97/87/81/383978781.db2.gz ZCINZGBILPSFAA-LBPRGKRZSA-N 1 0 206.289 1.223 10 0 BDAERO O=S1C=Cc2c1cccc2N1CC[NH2+]CC1 ZINC000089195276 383940910 /nfs/dbraw/zinc/94/09/10/383940910.db2.gz XGLXPENQCGXZNB-UHFFFAOYSA-N 1 0 234.324 1.188 10 0 BDAERO O=c1[nH]c2cc[nH]c2cc1C1CC[NH2+]CC1 ZINC000089221360 383949721 /nfs/dbraw/zinc/94/97/21/383949721.db2.gz PSTHZSJHIQNATE-UHFFFAOYSA-N 1 0 217.272 1.323 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1ccccc1 ZINC000068592952 384001225 /nfs/dbraw/zinc/00/12/25/384001225.db2.gz WLYLYILTBJZATP-YPMHNXCESA-N 1 0 204.317 1.998 10 0 BDAERO Cc1cccc(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000643615216 384016895 /nfs/dbraw/zinc/01/68/95/384016895.db2.gz XSNSNCIHFCKWEK-NSHDSACASA-N 1 0 234.299 1.170 10 0 BDAERO Cc1ccccc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643614771 384017841 /nfs/dbraw/zinc/01/78/41/384017841.db2.gz KRTNXWNKRWMSGD-LLVKDONJSA-N 1 0 234.299 1.170 10 0 BDAERO COC[C@]1(C(=O)N2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000643617048 384008768 /nfs/dbraw/zinc/00/87/68/384008768.db2.gz PHMJRRVOAYJVKI-AAEUAGOBSA-N 1 0 240.347 1.156 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(Br)cc1F ZINC000035676919 384089024 /nfs/dbraw/zinc/08/90/24/384089024.db2.gz IWYPOJGIGIBKEG-QMMMGPOBSA-N 1 0 233.084 1.547 10 0 BDAERO CC(=O)OCC[NH2+]Cc1ccccc1C ZINC000039105624 384105341 /nfs/dbraw/zinc/10/53/41/384105341.db2.gz UOHLGASQSGQBSM-UHFFFAOYSA-N 1 0 207.273 1.648 10 0 BDAERO Cc1ccc(C(=O)N[C@H]([NH3+])C(C)C)cc1 ZINC000039105536 384106147 /nfs/dbraw/zinc/10/61/47/384106147.db2.gz PCIPCTLKWOCDRS-NSHDSACASA-N 1 0 206.289 1.666 10 0 BDAERO C1=C2C(C[NH+]3CCCCC3)=NO[C@H]2NCCC1 ZINC000038805212 384094620 /nfs/dbraw/zinc/09/46/20/384094620.db2.gz ICSFKOXXHZDCLU-CYBMUJFWSA-N 1 0 235.331 1.494 10 0 BDAERO COC[C@@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188695513 384124696 /nfs/dbraw/zinc/12/46/96/384124696.db2.gz KIZLZBANXAGMSS-SNVBAGLBSA-N 1 0 248.326 1.189 10 0 BDAERO C[NH+](C)CCOc1nnc(NO)c2ccccc21 ZINC000005689032 384127620 /nfs/dbraw/zinc/12/76/20/384127620.db2.gz GWPPGFBGXMICEH-UHFFFAOYSA-N 1 0 248.286 1.371 10 0 in-man BDAERO Cc1ccc(O)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000071140087 384149650 /nfs/dbraw/zinc/14/96/50/384149650.db2.gz UAZGPUFWKOVDDY-LLVKDONJSA-N 1 0 248.326 1.477 10 0 BDAERO Cc1cc(Br)cnc1C(N)=[NH2+] ZINC000071186717 384154534 /nfs/dbraw/zinc/15/45/34/384154534.db2.gz CUHBROAAYIEEJW-UHFFFAOYSA-N 1 0 214.066 1.437 10 0 BDAERO c1[nH+]c2ccccn2c1N1CCOCC1 ZINC000006088156 384144981 /nfs/dbraw/zinc/14/49/81/384144981.db2.gz OPVNUNHAHWTMGS-UHFFFAOYSA-N 1 0 203.245 1.171 10 0 BDAERO Cc1ccncc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000071414242 384167495 /nfs/dbraw/zinc/16/74/95/384167495.db2.gz RMJGRRRPIDPPAR-NSHDSACASA-N 1 0 233.315 1.718 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080993616 384178030 /nfs/dbraw/zinc/17/80/30/384178030.db2.gz ABWZPFZONFBSEE-QWRGUYRKSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(O)c2)C1 ZINC000334745279 384201699 /nfs/dbraw/zinc/20/16/99/384201699.db2.gz FKWZOMZPAPCQAX-GXFFZTMASA-N 1 0 221.300 1.595 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000227908050 134398886 /nfs/dbraw/zinc/39/88/86/134398886.db2.gz BIZXUEXGZNUUNK-RWMBFGLXSA-N 1 0 229.364 1.894 10 0 BDAERO CC(C)(C)CC(C)(C)[NH2+]C[C@@H]1CNC(=O)O1 ZINC000309641018 384189408 /nfs/dbraw/zinc/18/94/08/384189408.db2.gz UQUNAVMYQRIRCM-VIFPVBQESA-N 1 0 228.336 1.899 10 0 BDAERO N[C@H](C[NH3+])c1cccc(OC(F)F)c1 ZINC000072200589 384200781 /nfs/dbraw/zinc/20/07/81/384200781.db2.gz WNLYXJJZGURMKD-MRVPVSSYSA-N 1 0 202.204 1.247 10 0 BDAERO COC[C@]1(C(=O)NCC2CCCC2)CCC[NH2+]1 ZINC000643634436 384209120 /nfs/dbraw/zinc/20/91/20/384209120.db2.gz JDJMLPVMOFUZBY-ZDUSSCGKSA-N 1 0 240.347 1.061 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2cccs2)C1 ZINC000082279786 384219350 /nfs/dbraw/zinc/21/93/50/384219350.db2.gz HELIDKAZBOYKAG-VIFPVBQESA-N 1 0 224.329 1.524 10 0 BDAERO [NH3+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000042873607 384250797 /nfs/dbraw/zinc/25/07/97/384250797.db2.gz QZBWZAYAYBGFNJ-UHFFFAOYSA-N 1 0 217.171 1.475 10 0 BDAERO CC[C@H]([NH3+])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000042915821 384252607 /nfs/dbraw/zinc/25/26/07/384252607.db2.gz JPFGKUSWXVKIDE-STQMWFEESA-N 1 0 230.315 1.913 10 0 BDAERO OCCC[C@H]1CCC[N@@H+]1CCc1cnccn1 ZINC000402926227 384260240 /nfs/dbraw/zinc/26/02/40/384260240.db2.gz QKQUCJSXFBNFAM-CYBMUJFWSA-N 1 0 235.331 1.256 10 0 BDAERO Cc1ccc2ccnc(NCC[NH3+])c2c1 ZINC000082765883 384264565 /nfs/dbraw/zinc/26/45/65/384264565.db2.gz JLTXKTDELGWYTI-UHFFFAOYSA-N 1 0 201.273 1.914 10 0 BDAERO c1ccc2[nH]c(OC3CC[NH2+]CC3)nc2c1 ZINC000043220288 384268694 /nfs/dbraw/zinc/26/86/94/384268694.db2.gz SBKRUWFIHAIXBH-UHFFFAOYSA-N 1 0 217.272 1.694 10 0 BDAERO C[C@@H](N(C)C(=O)[C@@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000643642169 384268850 /nfs/dbraw/zinc/26/88/50/384268850.db2.gz WJXBFTUKJHUVKP-GHMZBOCLSA-N 1 0 242.363 1.115 10 0 BDAERO O=C1CC[NH2+]C[C@H]1c1ccc2[nH]ccc2n1 ZINC000074115613 384273914 /nfs/dbraw/zinc/27/39/14/384273914.db2.gz DMJSDPHBFMVIDL-QMMMGPOBSA-N 1 0 215.256 1.209 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NC2(C[NH3+])CCCCC2)O1 ZINC000158558752 384242374 /nfs/dbraw/zinc/24/23/74/384242374.db2.gz YPYZTPCXCAVMDC-GHMZBOCLSA-N 1 0 240.347 1.332 10 0 BDAERO CN(Cc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000043501399 384281894 /nfs/dbraw/zinc/28/18/94/384281894.db2.gz SMLKZJQYGAOQQG-GFCCVEGCSA-N 1 0 205.305 1.265 10 0 BDAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](CC)CSC ZINC000163315563 384286778 /nfs/dbraw/zinc/28/67/78/384286778.db2.gz NFTGVMGIPUTXRF-ONGXEEELSA-N 1 0 232.393 1.762 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000401929648 384292222 /nfs/dbraw/zinc/29/22/22/384292222.db2.gz KRCKXTHWEBYYST-AVGNSLFASA-N 1 0 245.363 1.009 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC1(O)CCC1 ZINC000335477055 384295601 /nfs/dbraw/zinc/29/56/01/384295601.db2.gz TURWUPNEMNTDAC-STQMWFEESA-N 1 0 238.375 1.460 10 0 BDAERO Clc1cnc(OC[C@H]2CCC[NH2+]2)nc1 ZINC000095070050 384335060 /nfs/dbraw/zinc/33/50/60/384335060.db2.gz DVUIOEJZUGURQO-MRVPVSSYSA-N 1 0 213.668 1.261 10 0 BDAERO Clc1ccc(S[C@@H]2CC[NH2+]C2)nn1 ZINC000095069976 384335282 /nfs/dbraw/zinc/33/52/82/384335282.db2.gz QCEAJBJHEOEBBE-ZCFIWIBFSA-N 1 0 215.709 1.584 10 0 BDAERO Cc1cnc(N2CC[C@@H](C[NH3+])C2)nc1Cl ZINC000095069320 384335441 /nfs/dbraw/zinc/33/54/41/384335441.db2.gz HUMXKQPUFTUZCI-QMMMGPOBSA-N 1 0 226.711 1.223 10 0 BDAERO Clc1nccc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000095070337 384336689 /nfs/dbraw/zinc/33/66/89/384336689.db2.gz BWLYBOZXNWJSAG-MRVPVSSYSA-N 1 0 227.695 1.508 10 0 BDAERO Clc1nccnc1COC1CC[NH2+]CC1 ZINC000095070382 384337471 /nfs/dbraw/zinc/33/74/71/384337471.db2.gz UPJLTMJGGAIOGG-UHFFFAOYSA-N 1 0 227.695 1.399 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000082279901 384338394 /nfs/dbraw/zinc/33/83/94/384338394.db2.gz ANYYKYMLGSGJAZ-GFCCVEGCSA-N 1 0 224.348 1.729 10 0 BDAERO CN(C[C@H]1CC[NH2+]C1)c1nccc(Cl)n1 ZINC000095071225 384338660 /nfs/dbraw/zinc/33/86/60/384338660.db2.gz CTDOFQPSHOXPMB-QMMMGPOBSA-N 1 0 226.711 1.176 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]C1)c1ncc(F)cn1 ZINC000095071076 384339186 /nfs/dbraw/zinc/33/91/86/384339186.db2.gz RZDGXBYDYOMKON-SECBINFHSA-N 1 0 224.283 1.052 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1ncccn1 ZINC000095070815 384339330 /nfs/dbraw/zinc/33/93/30/384339330.db2.gz ZAEPTTPWNJBABO-SNVBAGLBSA-N 1 0 206.293 1.055 10 0 BDAERO C[NH2+][C@H]1CCCN(c2nccc(Cl)n2)C1 ZINC000095071430 384340592 /nfs/dbraw/zinc/34/05/92/384340592.db2.gz TYUMZZFQTUZZDA-QMMMGPOBSA-N 1 0 226.711 1.318 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCC(=O)c1ccco1 ZINC000095072258 384343205 /nfs/dbraw/zinc/34/32/05/384343205.db2.gz VTZMRTRKMYSPDY-ZJUUUORDSA-N 1 0 222.288 1.322 10 0 BDAERO [NH3+]C[C@@H]1CCCN1Cc1nccnc1Cl ZINC000095072645 384343563 /nfs/dbraw/zinc/34/35/63/384343563.db2.gz RRCQFWNESLTWSS-QMMMGPOBSA-N 1 0 226.711 1.053 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1Nc1ccnc(Cl)n1 ZINC000095072208 384343826 /nfs/dbraw/zinc/34/38/26/384343826.db2.gz NPLFWUZACKCWCN-YUMQZZPRSA-N 1 0 226.711 1.812 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCC(=O)c1ccc[nH]1 ZINC000095072251 384343952 /nfs/dbraw/zinc/34/39/52/384343952.db2.gz ACAJSXNPYXYJEC-VHSXEESVSA-N 1 0 221.304 1.057 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](N=c2[nH]c3ccccc3o2)C1 ZINC000335583385 384345001 /nfs/dbraw/zinc/34/50/01/384345001.db2.gz WXARFDGSSKFHQN-VHSXEESVSA-N 1 0 231.299 1.789 10 0 BDAERO O=[S@](Cc1cccnc1)C[C@@H]1CCC[NH2+]1 ZINC000095073572 384347309 /nfs/dbraw/zinc/34/73/09/384347309.db2.gz RNGWWCDJLVPGRV-NHYWBVRUSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@](Cc1cncs1)[C@H]1CCC[NH2+]C1 ZINC000095073460 384347503 /nfs/dbraw/zinc/34/75/03/384347503.db2.gz ANYSWZPNRKFWBZ-XPTSAGLGSA-N 1 0 230.358 1.144 10 0 BDAERO O=[S@@](c1nccs1)[C@H]1CCC[NH2+]C1 ZINC000095073393 384348177 /nfs/dbraw/zinc/34/81/77/384348177.db2.gz WFUIYFJQEJYKGO-CPFSXVBKSA-N 1 0 216.331 1.003 10 0 BDAERO C[NH2+][C@H]1CCOC[C@H]1Cc1ccccc1F ZINC000095075937 384350872 /nfs/dbraw/zinc/35/08/72/384350872.db2.gz FJIPUOKCBTZAPA-YPMHNXCESA-N 1 0 223.291 1.993 10 0 BDAERO [NH3+][C@H](CCO)[C@H]1CCCCN1Cc1ccccc1 ZINC000095077227 384353622 /nfs/dbraw/zinc/35/36/22/384353622.db2.gz MGUFXDGIOHHUKA-HUUCEWRRSA-N 1 0 248.370 1.751 10 0 BDAERO CSc1nccnc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000095076769 384353901 /nfs/dbraw/zinc/35/39/01/384353901.db2.gz GHBZONGSZHEKHD-SECBINFHSA-N 1 0 239.344 1.013 10 0 BDAERO CC(C)[N@@H+]1CCC[C@H]1CNC(F)(F)F ZINC000095088272 384360337 /nfs/dbraw/zinc/36/03/37/384360337.db2.gz WYFIEWPSDNUCGT-QMMMGPOBSA-N 1 0 210.243 1.969 10 0 BDAERO C[C@H]1CN(c2cccc3c2OCCC3)CC[NH2+]1 ZINC000095092962 384363958 /nfs/dbraw/zinc/36/39/58/384363958.db2.gz UZQMLOUXUKVNOE-NSHDSACASA-N 1 0 232.327 1.810 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccccn1 ZINC000335596286 384364334 /nfs/dbraw/zinc/36/43/34/384364334.db2.gz IKHKAGDQGNATBL-WCQYABFASA-N 1 0 247.342 1.428 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC1CCOCC1 ZINC000335598901 384369499 /nfs/dbraw/zinc/36/94/99/384369499.db2.gz ZPAZAVQFWHRTJW-PWSUYJOCSA-N 1 0 213.321 1.258 10 0 BDAERO C[C@H](N[C@H]1CCCC[C@@H]1[NH3+])c1cnccn1 ZINC000095068322 384331010 /nfs/dbraw/zinc/33/10/10/384331010.db2.gz VLJHWKMPVUHAHI-DCAQKATOSA-N 1 0 220.320 1.397 10 0 BDAERO Cc1ccnc([S@](=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000095069228 384331621 /nfs/dbraw/zinc/33/16/21/384331621.db2.gz MTLNFXKPDLPWAZ-BMIGLBTASA-N 1 0 224.329 1.107 10 0 BDAERO Cc1ccc(SC[C@@H]2CC[NH2+]C2)nn1 ZINC000095069164 384332688 /nfs/dbraw/zinc/33/26/88/384332688.db2.gz NUZDFTPEFMJVFX-SECBINFHSA-N 1 0 209.318 1.487 10 0 BDAERO Cc1ccnc([S@](=O)C[C@H]2CCC[NH2+]2)c1 ZINC000095069222 384332815 /nfs/dbraw/zinc/33/28/15/384332815.db2.gz VHIKIVXCSBFHRH-BMIGLBTASA-N 1 0 224.329 1.250 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1cc(F)cc(Cl)c1 ZINC000095791152 384394878 /nfs/dbraw/zinc/39/48/78/384394878.db2.gz GAFTVDZYKAATRP-ANLVUFKYSA-N 1 0 203.644 1.860 10 0 BDAERO [NH3+]Cc1cc(Cl)nc(Br)c1 ZINC000095761419 384396002 /nfs/dbraw/zinc/39/60/02/384396002.db2.gz NQRYLRHCIKSURF-UHFFFAOYSA-N 1 0 221.485 1.956 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Oc1ccccc1 ZINC000095883806 384404660 /nfs/dbraw/zinc/40/46/60/384404660.db2.gz JRKQERSGLFDFAY-UTUOFQBUSA-N 1 0 207.273 1.570 10 0 BDAERO Cn1ccnc1SC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095908610 384407276 /nfs/dbraw/zinc/40/72/76/384407276.db2.gz BHDKCDBPKVBKGR-ULKQDVFKSA-N 1 0 223.345 1.795 10 0 BDAERO [NH3+]CCn1ccc(OCc2ccccc2)cc1=O ZINC000095937885 384417548 /nfs/dbraw/zinc/41/75/48/384417548.db2.gz NFDFTRAPGSAHHA-UHFFFAOYSA-N 1 0 244.294 1.386 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ncc(C)o1 ZINC000175337874 384424191 /nfs/dbraw/zinc/42/41/91/384424191.db2.gz IBRLHWVDBYFDPJ-LBPRGKRZSA-N 1 0 237.347 1.899 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC2 ZINC000648179892 384448728 /nfs/dbraw/zinc/44/87/28/384448728.db2.gz JCQWYCGQJNZWFD-LPEHRKFASA-N 1 0 208.305 1.030 10 0 BDAERO O=C1NC[C@H](C[NH2+][C@H]2CC3CCC2CC3)O1 ZINC000309835900 384434545 /nfs/dbraw/zinc/43/45/45/384434545.db2.gz LQNYZURFZMZFHO-TVUZUIDESA-N 1 0 224.304 1.263 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCF)C1 ZINC000121809511 384438334 /nfs/dbraw/zinc/43/83/34/384438334.db2.gz GSYVXAKSQHXLLJ-MNOVXSKESA-N 1 0 245.342 1.374 10 0 BDAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000235590999 384465967 /nfs/dbraw/zinc/46/59/67/384465967.db2.gz BVGLJNADZNVVMB-KOLCDFICSA-N 1 0 238.335 1.300 10 0 BDAERO C[C@@H](c1ccccc1F)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000305912536 384479473 /nfs/dbraw/zinc/47/94/73/384479473.db2.gz JAQSUBVVVSNIGI-XDTLVQLUSA-N 1 0 238.306 1.151 10 0 BDAERO COc1c(C[NH2+]C[C@@H]2C[C@H]2C)c(C)nn1C ZINC000136357358 384491732 /nfs/dbraw/zinc/49/17/32/384491732.db2.gz VJXYGAXPVMVQEN-SCZZXKLOSA-N 1 0 223.320 1.483 10 0 BDAERO COC(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)OC ZINC000085351195 384517147 /nfs/dbraw/zinc/51/71/47/384517147.db2.gz XSHYSWUJEYFVLB-WDEREUQCSA-N 1 0 229.320 1.249 10 0 BDAERO CN(C1CC1)[C@]1(C[NH3+])CCCSC1 ZINC000061589997 384519225 /nfs/dbraw/zinc/51/92/25/384519225.db2.gz HQZBODJCPFLLHB-JTQLQIEISA-N 1 0 200.351 1.305 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000052395630 384536191 /nfs/dbraw/zinc/53/61/91/384536191.db2.gz JZLDSPLHIONGEJ-MRVPVSSYSA-N 1 0 210.252 1.681 10 0 BDAERO CC(C)=CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000300746848 384525338 /nfs/dbraw/zinc/52/53/38/384525338.db2.gz YDEONKLXVUHUAY-NEPJUHHUSA-N 1 0 222.332 1.648 10 0 BDAERO CC(C)[C@H](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236632880 384541849 /nfs/dbraw/zinc/54/18/49/384541849.db2.gz NEPWSPVRCVCOQZ-UTUOFQBUSA-N 1 0 226.364 1.912 10 0 BDAERO C=CC[C@H]1C(=O)OC[C@@H]1[NH2+]Cc1ccccc1 ZINC000215442453 384542892 /nfs/dbraw/zinc/54/28/92/384542892.db2.gz YHBUFSVMAUABHW-OLZOCXBDSA-N 1 0 231.295 1.894 10 0 BDAERO c1cc(NC[C@H]2CC[NH2+]C2)nc(C2CC2)n1 ZINC000212228829 384563256 /nfs/dbraw/zinc/56/32/56/384563256.db2.gz ZXLFDCUDCUGXQS-VIFPVBQESA-N 1 0 218.304 1.375 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000372876459 384537648 /nfs/dbraw/zinc/53/76/48/384537648.db2.gz IPJYNGBFBBXXKS-KGLIPLIRSA-N 1 0 240.391 1.708 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCCC[C@H](SC)C1 ZINC000236801227 384575234 /nfs/dbraw/zinc/57/52/34/384575234.db2.gz PBMSKFFTRPDCMI-QWRGUYRKSA-N 1 0 244.404 1.858 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)s1 ZINC000309756003 384585524 /nfs/dbraw/zinc/58/55/24/384585524.db2.gz HOFXEMMFGQEIKH-MWLCHTKSSA-N 1 0 238.356 1.813 10 0 BDAERO Cc1cnn(C[C@H]2C[N@@H+](C3CCCC3)CCO2)c1 ZINC000120141762 384567461 /nfs/dbraw/zinc/56/74/61/384567461.db2.gz XDECVWALOKGVJY-CQSZACIVSA-N 1 0 249.358 1.835 10 0 BDAERO O=C1CCC[C@H]2[C@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@H]34 ZINC000100037974 384610717 /nfs/dbraw/zinc/61/07/17/384610717.db2.gz ZSBXGIUJOOQZMP-GUIRCDHDSA-N 1 0 248.370 1.872 10 0 BDAERO CC/C=C/CC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000184527717 384615459 /nfs/dbraw/zinc/61/54/59/384615459.db2.gz PMSFDMOGGAQPMJ-XGACYXMMSA-N 1 0 249.358 1.940 10 0 BDAERO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cnccn1 ZINC000100248196 384629058 /nfs/dbraw/zinc/62/90/58/384629058.db2.gz VDKVFLSJYXMYQE-MXWKQRLJSA-N 1 0 221.304 1.431 10 0 BDAERO CC[C@@H]([NH3+])C[C@@H](N)C(=O)OCc1ccccc1 ZINC000141436636 384674860 /nfs/dbraw/zinc/67/48/60/384674860.db2.gz KEWAVIHAPYVGBK-VXGBXAGGSA-N 1 0 236.315 1.185 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H](c2ccccc2C)C1 ZINC000082162791 384647607 /nfs/dbraw/zinc/64/76/07/384647607.db2.gz YLDXDBBRSRCKQT-RYUDHWBXSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H](c2cccc(F)c2)C1 ZINC000082162822 384647773 /nfs/dbraw/zinc/64/77/73/384647773.db2.gz XUWCFBZWGOBXKW-WDEREUQCSA-N 1 0 237.274 1.692 10 0 BDAERO Cc1ccc(C[C@H]2COCC[C@@H]2[NH3+])cc1 ZINC000082379459 384675597 /nfs/dbraw/zinc/67/55/97/384675597.db2.gz RHBHAUPGYWTXLL-STQMWFEESA-N 1 0 205.301 1.901 10 0 BDAERO OCCc1cccc(C2CC[NH2+]CC2)c1 ZINC000044380887 384655204 /nfs/dbraw/zinc/65/52/04/384655204.db2.gz WNRHPCJLBGGEHC-UHFFFAOYSA-N 1 0 205.301 1.688 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000160199227 384657754 /nfs/dbraw/zinc/65/77/54/384657754.db2.gz PYLZYGBGVXDMPW-KBPBESRZSA-N 1 0 240.391 1.564 10 0 BDAERO C[C@H]1C[NH+]=C(SCc2ccccn2)N1 ZINC000238439904 384659123 /nfs/dbraw/zinc/65/91/23/384659123.db2.gz YXMRTHXICVYWOI-QMMMGPOBSA-N 1 0 207.302 1.663 10 0 BDAERO COc1cc(C)nc(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000125962278 384723544 /nfs/dbraw/zinc/72/35/44/384723544.db2.gz YHNRZOYNUHDCCC-QPUJVOFHSA-N 1 0 206.289 1.897 10 0 BDAERO C[C@H]1CN(c2ccc(N)cc2F)CC[N@@H+]1C ZINC000082477608 384686314 /nfs/dbraw/zinc/68/63/14/384686314.db2.gz YLNNSNXHIZHSBJ-VIFPVBQESA-N 1 0 223.295 1.548 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000363937643 384688372 /nfs/dbraw/zinc/68/83/72/384688372.db2.gz HYNSXBAJAXZREI-NEPJUHHUSA-N 1 0 215.337 1.648 10 0 BDAERO NC[C@@H]([NH3+])CC1=Cc2c(F)cccc2CC1 ZINC000141614698 384692027 /nfs/dbraw/zinc/69/20/27/384692027.db2.gz INTCZRUIKONFLU-NSHDSACASA-N 1 0 220.291 1.831 10 0 BDAERO c1ccc2oc(OC3CC[NH2+]CC3)nc2c1 ZINC000051865690 384693447 /nfs/dbraw/zinc/69/34/47/384693447.db2.gz LILQEYNZHRBTJZ-UHFFFAOYSA-N 1 0 218.256 1.959 10 0 BDAERO Cc1cc(C)nc(OC[C@@H]2CC[NH2+]C2)n1 ZINC000051889271 384699522 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JUKDSNHCIWAONY-WPRPVWTQSA-N 1 0 219.206 1.875 10 0 BDAERO Cc1noc(CCC[NH2+][C@H]2CCO[C@H]2C)n1 ZINC000129418221 384995842 /nfs/dbraw/zinc/99/58/42/384995842.db2.gz PTOUMQDTPRBEAR-WPRPVWTQSA-N 1 0 225.292 1.078 10 0 BDAERO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2O)sn1 ZINC000404430283 384996659 /nfs/dbraw/zinc/99/66/59/384996659.db2.gz AICGIUQLDOQSPU-MWLCHTKSSA-N 1 0 226.345 1.702 10 0 BDAERO CC(C)(C)[C@@H]([NH3+])CN1CCCOCC1 ZINC000061917758 385003106 /nfs/dbraw/zinc/00/31/06/385003106.db2.gz LNTMFWYIOWWDKX-JTQLQIEISA-N 1 0 200.326 1.082 10 0 BDAERO CC[C@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152211890 385012234 /nfs/dbraw/zinc/01/22/34/385012234.db2.gz QHIXRUNUEWIONH-AAEUAGOBSA-N 1 0 236.315 1.306 10 0 BDAERO Cc1cc(C[NH2+]CC2CC(O)C2)sn1 ZINC000404471115 385017651 /nfs/dbraw/zinc/01/76/51/385017651.db2.gz QQUNCYGKGMYYGE-UHFFFAOYSA-N 1 0 212.318 1.312 10 0 BDAERO CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000128820444 384964177 /nfs/dbraw/zinc/96/41/77/384964177.db2.gz UVNMGOHKYAOVIZ-SNVBAGLBSA-N 1 0 213.325 1.132 10 0 BDAERO CN(Cc1cnc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000086777859 385049436 /nfs/dbraw/zinc/04/94/36/385049436.db2.gz ZLAXOTAGZXMBTR-MRVPVSSYSA-N 1 0 245.779 1.980 10 0 BDAERO CO[C@H]1C[N@H+](CC2(O)CCC2)CC[C@H]1C ZINC000334148990 385050464 /nfs/dbraw/zinc/05/04/64/385050464.db2.gz DCKLFQSEUVDFSY-MNOVXSKESA-N 1 0 213.321 1.258 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccns1 ZINC000404499406 385025663 /nfs/dbraw/zinc/02/56/63/385025663.db2.gz VUSGDRBFLVOWKU-PSASIEDQSA-N 1 0 212.318 1.394 10 0 BDAERO c1ccc(CSCCN2CC[NH2+]CC2)nc1 ZINC000058827221 385029460 /nfs/dbraw/zinc/02/94/60/385029460.db2.gz UATZOYJXQPMACD-UHFFFAOYSA-N 1 0 237.372 1.220 10 0 BDAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ncc[nH]1 ZINC000165412205 385118977 /nfs/dbraw/zinc/11/89/77/385118977.db2.gz LEIBBMTXIYJLOH-PWSUYJOCSA-N 1 0 223.320 1.560 10 0 BDAERO COC[C@]1(C(=O)Nc2ccsc2)CCC[NH2+]1 ZINC000643700504 385119644 /nfs/dbraw/zinc/11/96/44/385119644.db2.gz CDCHKOJPYNGROC-NSHDSACASA-N 1 0 240.328 1.455 10 0 BDAERO Cc1nnc(Oc2ccc(C[NH3+])cc2)nc1C ZINC000165422936 385121727 /nfs/dbraw/zinc/12/17/27/385121727.db2.gz UTGUVQVJPUEOLV-UHFFFAOYSA-N 1 0 230.271 1.739 10 0 BDAERO Cc1cscc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000176455149 385092240 /nfs/dbraw/zinc/09/22/40/385092240.db2.gz JRWSZSKRCHLNJN-JTQLQIEISA-N 1 0 238.356 1.833 10 0 BDAERO Cc1cc(C)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)o1 ZINC000176455505 385092364 /nfs/dbraw/zinc/09/23/64/385092364.db2.gz MWOHAYHJPQVCEU-LLVKDONJSA-N 1 0 236.315 1.673 10 0 BDAERO C(CN1CC[N@@H+]2CCCC[C@H]2C1)OCC1CC1 ZINC000177760276 385105230 /nfs/dbraw/zinc/10/52/30/385105230.db2.gz YAORFMZHTGKCEB-AWEZNQCLSA-N 1 0 238.375 1.583 10 0 BDAERO Nc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]32)ccn1 ZINC000308815282 385184271 /nfs/dbraw/zinc/18/42/71/385184271.db2.gz DWVRVJLMTWWEEN-WDEREUQCSA-N 1 0 203.289 1.648 10 0 BDAERO CC[NH+](CC)CCN1CC[C@H]2OCCC[C@@H]2C1 ZINC000119748583 385197456 /nfs/dbraw/zinc/19/74/56/385197456.db2.gz ZOERILAFYYBJQE-ZIAGYGMSSA-N 1 0 240.391 1.829 10 0 BDAERO Cc1nc(N2C[C@@H]([NH3+])C[C@@H]2C)sc1C ZINC000307590155 385198641 /nfs/dbraw/zinc/19/86/41/385198641.db2.gz BPQCSLOSCSMTCZ-RCOVLWMOSA-N 1 0 211.334 1.686 10 0 BDAERO CC[C@]1(C)C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000246365835 385149891 /nfs/dbraw/zinc/14/98/91/385149891.db2.gz ADXPBHNKEMPGFF-IAPYCZEWSA-N 1 0 236.359 1.822 10 0 BDAERO Cc1cnn(CC[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000310752409 385156704 /nfs/dbraw/zinc/15/67/04/385156704.db2.gz KKDDEDDBFXMRDG-UHFFFAOYSA-N 1 0 248.374 1.408 10 0 BDAERO C[C@@H](Cc1ccsc1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062116468 385159815 /nfs/dbraw/zinc/15/98/15/385159815.db2.gz UQIVKPZLRMWZGK-ONGXEEELSA-N 1 0 238.356 1.405 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)COc1ccccc1C ZINC000647033063 385167301 /nfs/dbraw/zinc/16/73/01/385167301.db2.gz LOHYMQVMVIKJPF-LLVKDONJSA-N 1 0 236.315 1.098 10 0 BDAERO CCc1ccc(O)c(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000164664841 385222780 /nfs/dbraw/zinc/22/27/80/385222780.db2.gz NMDWPBKLFWTDNS-SECBINFHSA-N 1 0 248.326 1.749 10 0 BDAERO CC(C)[C@@H]1C[NH2+]CCN1CC(F)(F)F ZINC000062570251 385228712 /nfs/dbraw/zinc/22/87/12/385228712.db2.gz YDMDDJRATAEBEE-QMMMGPOBSA-N 1 0 210.243 1.479 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000188581242 385239912 /nfs/dbraw/zinc/23/99/12/385239912.db2.gz BSGQMOJLZQNWHO-JQWIXIFHSA-N 1 0 229.320 1.296 10 0 BDAERO Fc1ccc(-c2cn3c(n2)CNCC3)cc1 ZINC000062605572 385243239 /nfs/dbraw/zinc/24/32/39/385243239.db2.gz KHPRXGKCVSKUIF-UHFFFAOYSA-N 1 0 217.247 1.792 10 0 BDAERO Cc1cccc(-n2cc(C[NH3+])nn2)c1C ZINC000050224098 385311456 /nfs/dbraw/zinc/31/14/56/385311456.db2.gz YXJRNGMQDOMUOC-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO [NH3+]Cc1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000050224149 385312129 /nfs/dbraw/zinc/31/21/29/385312129.db2.gz JUTRRDAEEGBVMX-UHFFFAOYSA-N 1 0 242.204 1.745 10 0 BDAERO CCCn1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)cn1 ZINC000116913405 385316730 /nfs/dbraw/zinc/31/67/30/385316730.db2.gz NTCGIXAJQLPAFW-YPMHNXCESA-N 1 0 237.347 1.950 10 0 BDAERO CCc1cc(N[C@@H]2CCC(=O)N[C@@H]2C)cc[nH+]1 ZINC000307777088 385262360 /nfs/dbraw/zinc/26/23/60/385262360.db2.gz UWSFOBTWQCIGBJ-BXKDBHETSA-N 1 0 233.315 1.723 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000052273106 385270221 /nfs/dbraw/zinc/27/02/21/385270221.db2.gz HASSIIXOBOHAIS-PSASIEDQSA-N 1 0 205.257 1.913 10 0 BDAERO CS[C@H]1CCCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000157801392 385286340 /nfs/dbraw/zinc/28/63/40/385286340.db2.gz IAISUKYNYFNHKT-IUCAKERBSA-N 1 0 216.350 1.078 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CCC[C@@H]1CCCO ZINC000308918991 385291695 /nfs/dbraw/zinc/29/16/95/385291695.db2.gz OLPIIHZVHZQEJG-NWDGAFQWSA-N 1 0 215.337 1.384 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]CCn2cncn2)o1 ZINC000167016063 385294885 /nfs/dbraw/zinc/29/48/85/385294885.db2.gz FQLNVQAQFSKJIS-SNVBAGLBSA-N 1 0 220.276 1.530 10 0 BDAERO N[C@@H](C[NH3+])c1cccc(Br)c1F ZINC000072201282 385333371 /nfs/dbraw/zinc/33/33/71/385333371.db2.gz RGFXAZBJMPYPQH-ZETCQYMHSA-N 1 0 233.084 1.547 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000643984529 385351402 /nfs/dbraw/zinc/35/14/02/385351402.db2.gz VQNLYKKRPGMDCV-APPZFPTMSA-N 1 0 232.274 1.146 10 0 BDAERO Cn1cc([C@H]2CCC[N@@H+]2CC2=CCCOC2)cn1 ZINC000131942977 385369768 /nfs/dbraw/zinc/36/97/68/385369768.db2.gz SPVLDOGJCHDGLT-CQSZACIVSA-N 1 0 247.342 1.904 10 0 BDAERO CC(C)[NH2+]Cc1ccc2c(n1)NCCC2 ZINC000165253431 385370949 /nfs/dbraw/zinc/37/09/49/385370949.db2.gz JFFLIUBCDZOWRQ-UHFFFAOYSA-N 1 0 205.305 1.938 10 0 BDAERO Cc1cnn(CC[NH2+][C@H](C)C2CCC2)c1 ZINC000179292372 385373430 /nfs/dbraw/zinc/37/34/30/385373430.db2.gz ZAAUFJGCRIEMRR-LLVKDONJSA-N 1 0 207.321 1.970 10 0 BDAERO C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1cccs1 ZINC000644016496 385376313 /nfs/dbraw/zinc/37/63/13/385376313.db2.gz XHEPBNQWVPXDAG-WPRPVWTQSA-N 1 0 238.356 1.923 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccnn2C(C)C)c1 ZINC000280856423 385379033 /nfs/dbraw/zinc/37/90/33/385379033.db2.gz LSDUNDLCZVPPJI-UHFFFAOYSA-N 1 0 247.346 1.759 10 0 BDAERO Cc1nc(CN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+])cs1 ZINC000165392630 385385888 /nfs/dbraw/zinc/38/58/88/385385888.db2.gz GMBGUGJSERMYKC-JGVFFNPUSA-N 1 0 241.360 1.393 10 0 BDAERO CC[C@@H](C)C[NH2+]C[C@H](C)N1CCOCC1 ZINC000093054757 385401416 /nfs/dbraw/zinc/40/14/16/385401416.db2.gz QYPIMMVDJRJKMX-NEPJUHHUSA-N 1 0 214.353 1.343 10 0 BDAERO c1cn([C@@H](c2ccccc2)C2C[NH2+]C2)nn1 ZINC000169726614 385418785 /nfs/dbraw/zinc/41/87/85/385418785.db2.gz UMXZMJIXZSTZGH-LBPRGKRZSA-N 1 0 214.272 1.087 10 0 BDAERO C[C@@H]([NH3+])COc1ccc2ncccc2c1 ZINC000169726426 385419240 /nfs/dbraw/zinc/41/92/40/385419240.db2.gz VRYAFCMQQZTEIL-SECBINFHSA-N 1 0 202.257 1.961 10 0 BDAERO Cc1cnn(C[C@@H]2C[N@H+](CC3CC3)CCO2)c1 ZINC000156224326 385443094 /nfs/dbraw/zinc/44/30/94/385443094.db2.gz HRLUODDFYAVCGY-ZDUSSCGKSA-N 1 0 235.331 1.302 10 0 BDAERO C[NH+](C)[C@H]1CCN(Cc2cccc(F)c2N)C1 ZINC000156381506 385448457 /nfs/dbraw/zinc/44/84/57/385448457.db2.gz WDORVBMVTCZPQU-NSHDSACASA-N 1 0 237.322 1.544 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)CCc2ccccn2)C1 ZINC000170864378 385451411 /nfs/dbraw/zinc/45/14/11/385451411.db2.gz GCQOIXLZGDHZGW-ZDUSSCGKSA-N 1 0 247.342 1.177 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccncc2)C1 ZINC000170874641 385453015 /nfs/dbraw/zinc/45/30/15/385453015.db2.gz OVRVMVBTVGDAOB-LLVKDONJSA-N 1 0 234.303 1.249 10 0 BDAERO C[C@@H]1CSC[C@@H](c2ccc(F)cn2)[NH2+]1 ZINC000156484102 385455081 /nfs/dbraw/zinc/45/50/81/385455081.db2.gz YFPYIVOVUMZKNN-XCBNKYQSSA-N 1 0 212.293 1.987 10 0 BDAERO c1cnnc(N2CCC[N@@H+](CC3CC3)CC2)c1 ZINC000156140456 385437864 /nfs/dbraw/zinc/43/78/64/385437864.db2.gz JPDNXOPQXYUFEE-UHFFFAOYSA-N 1 0 232.331 1.399 10 0 BDAERO [NH3+]Cc1ccc(Cl)cc1-n1ccnc1 ZINC000062787079 385476772 /nfs/dbraw/zinc/47/67/72/385476772.db2.gz VCLGRPUATKRAQK-UHFFFAOYSA-N 1 0 207.664 1.984 10 0 BDAERO CCc1cc(CC)nc(NC[C@@H](C)C[NH3+])n1 ZINC000309249810 385500123 /nfs/dbraw/zinc/50/01/23/385500123.db2.gz ZLBQXRXDWBDLFB-VIFPVBQESA-N 1 0 222.336 1.608 10 0 BDAERO CCOC(=O)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183108403 385509148 /nfs/dbraw/zinc/50/91/48/385509148.db2.gz LJIYQLAWHJTGSK-WDEREUQCSA-N 1 0 229.320 1.487 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1cc(F)ccc1F ZINC000036779246 385530487 /nfs/dbraw/zinc/53/04/87/385530487.db2.gz LVMHXWFWGUBBTP-NXEZZACHSA-N 1 0 201.216 1.736 10 0 BDAERO CC(C)C1CC([NH2+][C@@H]2CCC(=O)N[C@H]2C)C1 ZINC000309319223 385532029 /nfs/dbraw/zinc/53/20/29/385532029.db2.gz DUEMPPJNDLDIMR-WNYYMSAVSA-N 1 0 224.348 1.678 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccco1 ZINC000180601634 385532620 /nfs/dbraw/zinc/53/26/20/385532620.db2.gz FUUDFTQFUFFTMF-VHSXEESVSA-N 1 0 232.287 1.537 10 0 BDAERO CS[C@@H]1CCCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000157801668 385522421 /nfs/dbraw/zinc/52/24/21/385522421.db2.gz IAISUKYNYFNHKT-DTWKUNHWSA-N 1 0 216.350 1.078 10 0 BDAERO CCOc1cc(N2CCC(C)([NH3+])CC2)ncn1 ZINC000643029327 385523782 /nfs/dbraw/zinc/52/37/82/385523782.db2.gz PMKKCLVJYAAHEP-UHFFFAOYSA-N 1 0 236.319 1.193 10 0 BDAERO Cc1cccc(N2CCC(C)([NH3+])CC2)n1 ZINC000643029112 385524424 /nfs/dbraw/zinc/52/44/24/385524424.db2.gz JDXQLNWJEHLGEL-UHFFFAOYSA-N 1 0 205.305 1.708 10 0 BDAERO [NH3+]Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC000062793205 385564502 /nfs/dbraw/zinc/56/45/02/385564502.db2.gz XOQUWUUDPDWYRV-UHFFFAOYSA-N 1 0 207.664 1.984 10 0 BDAERO C[NH2+][C@H](c1cccs1)c1nccn1C ZINC000037184174 385601881 /nfs/dbraw/zinc/60/18/81/385601881.db2.gz ZRBHBPKWATVFEF-SECBINFHSA-N 1 0 207.302 1.790 10 0 BDAERO CN(CC1CC1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308056 385613991 /nfs/dbraw/zinc/61/39/91/385613991.db2.gz BANNTCLTFKMTBU-LLVKDONJSA-N 1 0 210.321 1.245 10 0 BDAERO Cc1cnc(CN2CCCC[C@@]2(C)C(N)=O)cn1 ZINC000408202615 385636320 /nfs/dbraw/zinc/63/63/20/385636320.db2.gz JFDCRVSJRNAXBF-ZDUSSCGKSA-N 1 0 248.330 1.015 10 0 BDAERO CN(CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000054417063 385629349 /nfs/dbraw/zinc/62/93/49/385629349.db2.gz WUOZMKNLNGXYQA-UHFFFAOYSA-N 1 0 203.289 1.558 10 0 BDAERO FCC[C@H]1CCC[C@H]1[NH2+]CCn1cncn1 ZINC000309518555 385651903 /nfs/dbraw/zinc/65/19/03/385651903.db2.gz ATMZKCVQXYOQSJ-GHMZBOCLSA-N 1 0 226.299 1.396 10 0 BDAERO CCc1nsc(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000307259231 385654736 /nfs/dbraw/zinc/65/47/36/385654736.db2.gz QYYKZYJVGPZBEF-BQBZGAKWSA-N 1 0 212.322 1.026 10 0 BDAERO [NH3+][C@@H]1COc2c(Cl)cc(Cl)cc2[C@@H]1O ZINC000211939686 385700717 /nfs/dbraw/zinc/70/07/17/385700717.db2.gz UCGVHYJDMIEGIJ-SFYZADRCSA-N 1 0 234.082 1.747 10 0 BDAERO CO[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C12CCC2 ZINC000309574940 385709205 /nfs/dbraw/zinc/70/92/05/385709205.db2.gz OOTNUCKMYKNELN-KXNHARMFSA-N 1 0 227.348 1.815 10 0 BDAERO C[C@H](C[NH2+]C[C@@H]1CCSC1)N1CCOCC1 ZINC000309530330 385666906 /nfs/dbraw/zinc/66/69/06/385666906.db2.gz DGRZOOYSKIREBY-NEPJUHHUSA-N 1 0 244.404 1.050 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+]C(C)C)C12CCOCC2 ZINC000186200386 385747053 /nfs/dbraw/zinc/74/70/53/385747053.db2.gz CBCGYBJOPWHGFK-VXGBXAGGSA-N 1 0 227.348 1.959 10 0 BDAERO CCSCC[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000186319543 385756014 /nfs/dbraw/zinc/75/60/14/385756014.db2.gz SNKQZFCRAJWBCD-LLVKDONJSA-N 1 0 231.361 1.767 10 0 BDAERO COC(=O)[C@@]1(C)CCCN1CCOC(C)C ZINC000186331292 385758372 /nfs/dbraw/zinc/75/83/72/385758372.db2.gz VYCSWLOBPNLOIH-GFCCVEGCSA-N 1 0 229.320 1.439 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCCn2c(C)nnc21 ZINC000309651536 385770275 /nfs/dbraw/zinc/77/02/75/385770275.db2.gz YABMHSRDQIKJCN-LLVKDONJSA-N 1 0 220.320 1.977 10 0 BDAERO C[C@H]([NH3+])CCNC(=O)c1ccc(N(C)C)cc1 ZINC000063170488 385779018 /nfs/dbraw/zinc/77/90/18/385779018.db2.gz HLZZXZKMSQXSAC-JTQLQIEISA-N 1 0 235.331 1.220 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000309669778 385783616 /nfs/dbraw/zinc/78/36/16/385783616.db2.gz VOFMATZCYDGFQG-AXFHLTTASA-N 1 0 223.320 1.211 10 0 BDAERO CC(C)[C@@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263295993 385810184 /nfs/dbraw/zinc/81/01/84/385810184.db2.gz WHDKIAYBNYPHSA-NXEZZACHSA-N 1 0 238.335 1.405 10 0 BDAERO CCN1CCC[C@@H]([NH2+]CC(C)(C)COC)C1 ZINC000336725007 385824160 /nfs/dbraw/zinc/82/41/60/385824160.db2.gz BOJKISBOHQHVIZ-GFCCVEGCSA-N 1 0 228.380 1.733 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000215984937 385855451 /nfs/dbraw/zinc/85/54/51/385855451.db2.gz REDZZAJVUJPRRR-VXGBXAGGSA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@H]1c1cccc(C)c1 ZINC000215984827 385855586 /nfs/dbraw/zinc/85/55/86/385855586.db2.gz BKAICSKZBUTLMM-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000215985027 385855726 /nfs/dbraw/zinc/85/57/26/385855726.db2.gz REDZZAJVUJPRRR-NEPJUHHUSA-N 1 0 237.274 1.692 10 0 BDAERO CNC(=[NH2+])N(C)[C@@H]1CC[C@H](C)SC1 ZINC000575534346 385895186 /nfs/dbraw/zinc/89/51/86/385895186.db2.gz IVRZDXCEOFFWQX-JGVFFNPUSA-N 1 0 201.339 1.356 10 0 BDAERO CCc1nc(C)cc(N(CC)CC[NH3+])n1 ZINC000308918613 385908018 /nfs/dbraw/zinc/90/80/18/385908018.db2.gz JKFUIWXUFPFSKK-UHFFFAOYSA-N 1 0 208.309 1.132 10 0 BDAERO CC[NH2+]C/C=C/I ZINC000307113820 385912444 /nfs/dbraw/zinc/91/24/44/385912444.db2.gz AYZQGXWVXOEIAZ-ONEGZZNKSA-N 1 0 211.046 1.545 10 0 BDAERO C[C@H]1CC(C[NH2+]CC2(C)COC2)C[C@H](C)O1 ZINC000336746128 385924592 /nfs/dbraw/zinc/92/45/92/385924592.db2.gz RBAXFVLHFLPBAP-QWRGUYRKSA-N 1 0 227.348 1.816 10 0 BDAERO [NH3+][C@H]1CC[C@@H](NC(=O)NCc2ccccc2)C1 ZINC000306834611 385865524 /nfs/dbraw/zinc/86/55/24/385865524.db2.gz ROIYRZGGZQEXAC-NWDGAFQWSA-N 1 0 233.315 1.366 10 0 BDAERO Cc1nscc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000335023313 385983753 /nfs/dbraw/zinc/98/37/53/385983753.db2.gz KPGLNRCEIYHEOE-SCZZXKLOSA-N 1 0 239.344 1.322 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]CCOCCO ZINC000336768175 385940503 /nfs/dbraw/zinc/94/05/03/385940503.db2.gz TZNDLVGTDHJSHZ-NWDGAFQWSA-N 1 0 215.337 1.554 10 0 BDAERO COc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2O)s1 ZINC000309262044 385999982 /nfs/dbraw/zinc/99/99/82/385999982.db2.gz PHRSVXHFURUESW-WPRPVWTQSA-N 1 0 242.344 1.402 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]12 ZINC000309405457 386008311 /nfs/dbraw/zinc/00/83/11/386008311.db2.gz VWBOUHQPOBLXMQ-FVCCEPFGSA-N 1 0 224.348 1.225 10 0 BDAERO COC(=O)c1ccc2c(c1)CC[C@@H](C[NH3+])C2 ZINC000261311288 386018680 /nfs/dbraw/zinc/01/86/80/386018680.db2.gz WYCWGJVPNZKJTI-SECBINFHSA-N 1 0 219.284 1.537 10 0 BDAERO C[C@@H]1CSC[C@]1([NH3+])Cc1cnsn1 ZINC000575561604 386024170 /nfs/dbraw/zinc/02/41/70/386024170.db2.gz QLUWWSYVOHTSPU-HTRCEHHLSA-N 1 0 215.347 1.161 10 0 BDAERO COc1ncc(C2(F)CC[NH2+]CC2)s1 ZINC000307176509 386086196 /nfs/dbraw/zinc/08/61/96/386086196.db2.gz HDZPXLZEFNHTJU-UHFFFAOYSA-N 1 0 216.281 1.700 10 0 BDAERO Cc1cc(C(C)C)nc(N2CC[C@H]([NH3+])[C@@H]2C)n1 ZINC000310275543 386172968 /nfs/dbraw/zinc/17/29/68/386172968.db2.gz JMIPTACYDINRRP-QWRGUYRKSA-N 1 0 234.347 1.834 10 0 BDAERO CCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 ZINC000124891898 386173340 /nfs/dbraw/zinc/17/33/40/386173340.db2.gz XWDOEWSRGRQLPU-SDDRHHMPSA-N 1 0 214.353 1.029 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1c1ncnc2ccccc21 ZINC000310323263 386174898 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ZINC000062252215 386508083 /nfs/dbraw/zinc/50/80/83/386508083.db2.gz LOTVJZITHJBQCK-LBPRGKRZSA-N 1 0 234.347 1.088 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCOCC(F)(F)F ZINC000399203243 386455580 /nfs/dbraw/zinc/45/55/80/386455580.db2.gz CZQLKUADVOHNBZ-IUCAKERBSA-N 1 0 241.253 1.411 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCN1CCCCC1 ZINC000399214133 386458110 /nfs/dbraw/zinc/45/81/10/386458110.db2.gz HHHUIFYMDOLSQN-QWHCGFSZSA-N 1 0 226.364 1.318 10 0 BDAERO CC(C)C1([NH2+][C@H](C)C(=O)NC2CC2)CC1 ZINC000339514555 386459420 /nfs/dbraw/zinc/45/94/20/386459420.db2.gz CBRRFWZSOGINHB-SECBINFHSA-N 1 0 210.321 1.432 10 0 BDAERO Nc1c(Cl)cccc1NC1=[NH+]CCN1 ZINC000521401680 386461010 /nfs/dbraw/zinc/46/10/10/386461010.db2.gz MLTYOLHGLALICQ-UHFFFAOYSA-N 1 0 210.668 1.293 10 0 BDAERO CC(C)(C)OC(=O)N1CCC([C@H]2C[C@@H]2[NH3+])CC1 ZINC000238852469 386534309 /nfs/dbraw/zinc/53/43/09/386534309.db2.gz GFMLQHVAEWRLIF-MNOVXSKESA-N 1 0 240.347 1.981 10 0 BDAERO [NH3+][C@@H]1CCO[C@@H]1c1nccn1-c1ccccc1 ZINC000238854716 386537554 /nfs/dbraw/zinc/53/75/54/386537554.db2.gz OWAHJAFDTMVXCV-NEPJUHHUSA-N 1 0 229.283 1.661 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2csnn2)C[C@@H](C)O1 ZINC000336780449 386549723 /nfs/dbraw/zinc/54/97/23/386549723.db2.gz RIOQDGVOTNHMMZ-RKDXNWHRSA-N 1 0 241.360 1.831 10 0 BDAERO COc1ccccc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401824554 386564647 /nfs/dbraw/zinc/56/46/47/386564647.db2.gz AHUYGEOYWLGLBL-AAEUAGOBSA-N 1 0 235.327 1.898 10 0 BDAERO [NH3+]Cc1c(Cl)cccc1NCCO ZINC000053255601 386564973 /nfs/dbraw/zinc/56/49/73/386564973.db2.gz QJJDSIUSBXPZRG-UHFFFAOYSA-N 1 0 200.669 1.203 10 0 BDAERO Cc1cnccc1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136207488 386572167 /nfs/dbraw/zinc/57/21/67/386572167.db2.gz QZCCUEKGJKGBEP-ZDUSSCGKSA-N 1 0 233.315 1.861 10 0 BDAERO Brc1ncccc1N[C@@H]1CC[NH2+]C1 ZINC000232461642 386645957 /nfs/dbraw/zinc/64/59/57/386645957.db2.gz IIOMJVNBKDOQGT-SSDOTTSWSA-N 1 0 242.120 1.618 10 0 BDAERO [NH3+]Cc1cnc(Cc2cccnc2)s1 ZINC000053132433 386664059 /nfs/dbraw/zinc/66/40/59/386664059.db2.gz DKBBGGMWBRILOU-UHFFFAOYSA-N 1 0 205.286 1.588 10 0 BDAERO C[C@H](C[NH3+])C(=O)Nc1ncc(Cl)s1 ZINC000307489105 386684143 /nfs/dbraw/zinc/68/41/43/386684143.db2.gz OPDBXJPGPNTLNQ-SCSAIBSYSA-N 1 0 219.697 1.330 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1CC2(CCC2)C1 ZINC000335470474 386689031 /nfs/dbraw/zinc/68/90/31/386689031.db2.gz ONDJIRHTBFGFDF-KOLCDFICSA-N 1 0 222.332 1.515 10 0 BDAERO C[C@@H](CO)[N@@H+]1CCSC(C)(C)CC1 ZINC000307572456 386735688 /nfs/dbraw/zinc/73/56/88/386735688.db2.gz DZIHACIFDWPRAM-VIFPVBQESA-N 1 0 203.351 1.585 10 0 BDAERO C[C@H]1CN(C(=O)CCc2cccs2)C[C@H]1[NH3+] ZINC000335485295 386714071 /nfs/dbraw/zinc/71/40/71/386714071.db2.gz ZIHMFUYNKBIQFC-GXSJLCMTSA-N 1 0 238.356 1.486 10 0 BDAERO CC[C@]1(C(=O)N[C@H](C)c2cccnc2)CCC[NH2+]1 ZINC000122360829 386746270 /nfs/dbraw/zinc/74/62/70/386746270.db2.gz WGEWMRZCRDSPSN-BXUZGUMPSA-N 1 0 247.342 1.791 10 0 BDAERO OCCc1cccc([C@@H]2CCCC[N@H+]2CCO)c1 ZINC000616616139 386742027 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/nfs/dbraw/zinc/85/33/77/386853377.db2.gz AIEYDBPSUZEBOD-LBPRGKRZSA-N 1 0 229.287 1.120 10 0 BDAERO C[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000082344400 386944502 /nfs/dbraw/zinc/94/45/02/386944502.db2.gz YOEVQNJUENFAER-UHFFFAOYSA-N 1 0 232.324 1.089 10 0 BDAERO CC(C)COCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398708252 386956607 /nfs/dbraw/zinc/95/66/07/386956607.db2.gz NWWLRGSTTSVICC-BFHYXJOUSA-N 1 0 241.375 1.752 10 0 BDAERO CCOCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398731036 386975311 /nfs/dbraw/zinc/97/53/11/386975311.db2.gz LCKKPIBPMVQUFI-YNEHKIRRSA-N 1 0 227.348 1.506 10 0 BDAERO Cc1ccncc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000334916192 386991565 /nfs/dbraw/zinc/99/15/65/386991565.db2.gz OENTZFVZHWPYEZ-CMPLNLGQSA-N 1 0 233.315 1.247 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCCn3ccnc3)C[C@@H]2C1 ZINC000398783188 386991624 /nfs/dbraw/zinc/99/16/24/386991624.db2.gz NYCVADWAFXAJRS-MELADBBJSA-N 1 0 249.358 1.366 10 0 BDAERO CC[C@H]([NH2+]CC(=O)NCC(F)F)C(C)(C)C ZINC000336745696 386998600 /nfs/dbraw/zinc/99/86/00/386998600.db2.gz VWMRCAGMYHRGHH-QMMMGPOBSA-N 1 0 236.306 1.782 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](S[C@@H]2CCOC2)C1 ZINC000575575971 387005389 /nfs/dbraw/zinc/00/53/89/387005389.db2.gz OOIDOSMRSDKIPX-KXUCPTDWSA-N 1 0 201.335 1.778 10 0 BDAERO COC[C@@](C)([NH3+])c1nc(C)c(C)s1 ZINC000053199573 387006127 /nfs/dbraw/zinc/00/61/27/387006127.db2.gz RSWBKUZONAJPJB-SECBINFHSA-N 1 0 200.307 1.580 10 0 BDAERO CSCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186489524 386949567 /nfs/dbraw/zinc/94/95/67/386949567.db2.gz GDMSERPFIHZDAD-JTQLQIEISA-N 1 0 242.388 1.483 10 0 BDAERO Cc1ccsc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000334821570 386950464 /nfs/dbraw/zinc/95/04/64/386950464.db2.gz QPVYRYGBEBDHHJ-WDEREUQCSA-N 1 0 238.356 1.229 10 0 BDAERO C[NH2+][C@@H](c1cccs1)c1cnccn1 ZINC000040237951 387042623 /nfs/dbraw/zinc/04/26/23/387042623.db2.gz VPPILWCYENVWEB-SNVBAGLBSA-N 1 0 205.286 1.847 10 0 BDAERO Cc1cc(N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc[nH+]1 ZINC000399064273 387051387 /nfs/dbraw/zinc/05/13/87/387051387.db2.gz JUBBQMPLWIQNSW-OUCADQQQSA-N 1 0 232.327 1.987 10 0 BDAERO [NH2+]=C(NO)c1ccnc(C(F)(F)F)c1 ZINC000575432167 387056858 /nfs/dbraw/zinc/05/68/58/387056858.db2.gz KMZFAYCBBHZAPN-UHFFFAOYSA-N 1 0 205.139 1.405 10 0 BDAERO C[C@@H]1CN([C@]2(C[NH3+])CCSC2)[C@@H]1C ZINC000575582759 387061396 /nfs/dbraw/zinc/06/13/96/387061396.db2.gz HPQJJGYVZZTTQK-BBBLOLIVSA-N 1 0 200.351 1.161 10 0 BDAERO [NH3+][C@@H]1C[C@@H]1c1ccncc1Br ZINC000575584218 387062428 /nfs/dbraw/zinc/06/24/28/387062428.db2.gz OOSPLQFDEQHYLR-HTRCEHHLSA-N 1 0 213.078 1.659 10 0 BDAERO c1coc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000106380311 387025560 /nfs/dbraw/zinc/02/55/60/387025560.db2.gz WGNBPPGAXFPDOO-ZDUSSCGKSA-N 1 0 236.315 1.232 10 0 BDAERO CC[N@H+](CC(C)(C)O)[C@H]1Cc2ccccc2[C@H]1O ZINC000246351302 387077627 /nfs/dbraw/zinc/07/76/27/387077627.db2.gz FPNPZKMRYPURHJ-UONOGXRCSA-N 1 0 249.354 1.738 10 0 BDAERO CCO[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCOCC2 ZINC000186233246 387083867 /nfs/dbraw/zinc/08/38/67/387083867.db2.gz HESJWKTUQAWBJP-OLZOCXBDSA-N 1 0 239.359 1.960 10 0 BDAERO COC(=O)CCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000228578410 387093533 /nfs/dbraw/zinc/09/35/33/387093533.db2.gz IJKRBBUNBWUHJU-SECBINFHSA-N 1 0 240.278 1.825 10 0 BDAERO O=C(C=C1CCC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186503893 387106262 /nfs/dbraw/zinc/10/62/62/387106262.db2.gz LMSZCTZLNYHYLX-LBPRGKRZSA-N 1 0 234.343 1.840 10 0 BDAERO [NH3+]CCCC[C@@H]([NH3+])c1ccc(C(=O)[O-])cc1 ZINC000575439244 387122398 /nfs/dbraw/zinc/12/23/98/387122398.db2.gz ZYNSAUREHFVFBZ-LLVKDONJSA-N 1 0 222.288 1.514 10 0 BDAERO CC1(C)[C@H]([NH2+]Cc2cc[nH]c2)[C@H]2CCO[C@H]21 ZINC000228879780 387126391 /nfs/dbraw/zinc/12/63/91/387126391.db2.gz IMBXMPJLCJAKON-IJLUTSLNSA-N 1 0 220.316 1.918 10 0 BDAERO CC[C@H](C)N(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057870363 387144487 /nfs/dbraw/zinc/14/44/87/387144487.db2.gz XMYJYTADCLFMPL-NWDGAFQWSA-N 1 0 241.379 1.911 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1CCCO1 ZINC000249507899 387144674 /nfs/dbraw/zinc/14/46/74/387144674.db2.gz YXNVQTVXPOJHDG-CIUDSAMLSA-N 1 0 241.253 1.457 10 0 BDAERO CC(C)[C@]1(C[NH3+])COc2ccccc2O1 ZINC000536950933 387163499 /nfs/dbraw/zinc/16/34/99/387163499.db2.gz MEOWVYJNBGATKK-LBPRGKRZSA-N 1 0 207.273 1.811 10 0 BDAERO C[C@@H]1CSC[C@@H]1N1CCC[C@@H]([NH3+])C1 ZINC000306445652 387163698 /nfs/dbraw/zinc/16/36/98/387163698.db2.gz QZGVGLCNNAOBLE-BBBLOLIVSA-N 1 0 200.351 1.161 10 0 BDAERO [NH3+]C[C@@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000536951266 387163977 /nfs/dbraw/zinc/16/39/77/387163977.db2.gz PEYTUFUZESRCLQ-GXFFZTMASA-N 1 0 246.310 1.321 10 0 BDAERO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000393671728 387165467 /nfs/dbraw/zinc/16/54/67/387165467.db2.gz KBLDMFAZTLBCMN-NSHDSACASA-N 1 0 228.380 1.515 10 0 BDAERO [NH3+]C[C@@H](c1cccc(O)c1)C1(CO)CCC1 ZINC000536954625 387167844 /nfs/dbraw/zinc/16/78/44/387167844.db2.gz QVXNZOHXOTURJA-LBPRGKRZSA-N 1 0 221.300 1.597 10 0 BDAERO C[NH2+]Cc1ccc(C=O)c2c1OC(F)(F)O2 ZINC000536957104 387170494 /nfs/dbraw/zinc/17/04/94/387170494.db2.gz CNNIRTDHECRYBT-UHFFFAOYSA-N 1 0 229.182 1.540 10 0 BDAERO CC[NH2+]Cc1ccc(C=O)c2c1OC(F)(F)O2 ZINC000536957788 387171756 /nfs/dbraw/zinc/17/17/56/387171756.db2.gz HKKDYRDDEBKLSV-UHFFFAOYSA-N 1 0 243.209 1.930 10 0 BDAERO CC[C@@H]1C[N@@H+](C2CCCC2)CCN1C[C@@H](C)O ZINC000120090300 387177749 /nfs/dbraw/zinc/17/77/49/387177749.db2.gz HIMCSBQYXMNUCG-CHWSQXEVSA-N 1 0 240.391 1.706 10 0 BDAERO CC[C@@H]1C[N@@H+](C2CCCC2)CCN1CCOC ZINC000120091165 387179940 /nfs/dbraw/zinc/17/99/40/387179940.db2.gz HBLATAWOUARBBL-CYBMUJFWSA-N 1 0 240.391 1.972 10 0 BDAERO Cc1[nH]nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000336355143 387184842 /nfs/dbraw/zinc/18/48/42/387184842.db2.gz ZPXGPUTYUMQCQL-ZACCUICWSA-N 1 0 248.330 1.039 10 0 BDAERO O[C@@H](C[NH2+]CC1CC(O)C1)CC1CCCC1 ZINC000232132910 387141271 /nfs/dbraw/zinc/14/12/71/387141271.db2.gz UTCAXFFDFRPCIH-WXRRBKDZSA-N 1 0 227.348 1.288 10 0 BDAERO CC(C)[C@H]1COC[C@@]12[NH2+][C@H](C)CS2 ZINC000575483285 387202573 /nfs/dbraw/zinc/20/25/73/387202573.db2.gz UYWGRJQDGBHORN-BBBLOLIVSA-N 1 0 201.335 1.710 10 0 BDAERO CCCCC[C@@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188197078 387256174 /nfs/dbraw/zinc/25/61/74/387256174.db2.gz PKWLUKDXXSTUQY-OUAUKWLOSA-N 1 0 230.327 1.771 10 0 BDAERO CN(Cc1ccccc1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188188656 387257629 /nfs/dbraw/zinc/25/76/29/387257629.db2.gz WHLIFOLXISISHL-NWDGAFQWSA-N 1 0 236.290 1.345 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1C(=O)NCc1ccccc1 ZINC000575488948 387259084 /nfs/dbraw/zinc/25/90/84/387259084.db2.gz UESLLHJCQDOHMG-DGCLKSJQSA-N 1 0 232.327 1.548 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1ccsc1Cl ZINC000306215808 387265498 /nfs/dbraw/zinc/26/54/98/387265498.db2.gz BIPABKSHHHTLGI-MRVPVSSYSA-N 1 0 205.710 1.828 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292907733 387285014 /nfs/dbraw/zinc/28/50/14/387285014.db2.gz FTNXHZHZHVZAEK-APPZFPTMSA-N 1 0 215.247 1.646 10 0 BDAERO Cc1cnc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000514854853 387297241 /nfs/dbraw/zinc/29/72/41/387297241.db2.gz ZZNQEAITUSKOGW-WDEREUQCSA-N 1 0 239.388 1.929 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CCC1 ZINC000322604688 259710808 /nfs/dbraw/zinc/71/08/08/259710808.db2.gz YQUTYTFRMSEVMV-OLZOCXBDSA-N 1 0 226.364 1.485 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)[C@H]1C[C@H]1C ZINC000321986524 387345304 /nfs/dbraw/zinc/34/53/04/387345304.db2.gz DNDXDEYGDLBYHC-YTWAJWBKSA-N 1 0 231.361 1.198 10 0 BDAERO Cn1nc(Br)cc1[C@H]1[NH2+]CC1(C)C ZINC000575501696 387346582 /nfs/dbraw/zinc/34/65/82/387346582.db2.gz DRCZYMAZUNUHMK-MRVPVSSYSA-N 1 0 244.136 1.853 10 0 BDAERO C[C@@H]1CS[C@@](C)([C@H]2CCC[NH2+]C2)N1 ZINC000575518237 387436810 /nfs/dbraw/zinc/43/68/10/387436810.db2.gz RJTGZRDOQQLQQD-UTLUCORTSA-N 1 0 200.351 1.427 10 0 BDAERO Cc1ncsc1[C@@H]([NH3+])CC1OCCO1 ZINC000575518159 387437181 /nfs/dbraw/zinc/43/71/81/387437181.db2.gz LZAYTPJQCHXGOS-ZETCQYMHSA-N 1 0 214.290 1.214 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@H](C)C1 ZINC000423875850 387442073 /nfs/dbraw/zinc/44/20/73/387442073.db2.gz IKEROJHLBJBYSM-QJPTWQEYSA-N 1 0 224.348 1.491 10 0 BDAERO C[C@H](Oc1ccccc1)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423958900 387456738 /nfs/dbraw/zinc/45/67/38/387456738.db2.gz QYIXXIQOUBWAQC-GMXVVIOVSA-N 1 0 248.326 1.260 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000300237391 387518889 /nfs/dbraw/zinc/51/88/89/387518889.db2.gz ACCDYNLZLVAMNT-QWHCGFSZSA-N 1 0 229.364 1.630 10 0 BDAERO Brc1cnnn1[C@@H]1CCC[NH2+]CC1 ZINC000575525262 387527615 /nfs/dbraw/zinc/52/76/15/387527615.db2.gz YWUPXGXVKYTODK-SSDOTTSWSA-N 1 0 245.124 1.355 10 0 BDAERO C[C@@H](NC1=[NH+]CCS1)c1cscn1 ZINC000575526709 387535330 /nfs/dbraw/zinc/53/53/30/387535330.db2.gz WZADIQWZMKXFSE-ZCFIWIBFSA-N 1 0 213.331 1.897 10 0 BDAERO CC[C@H](C[N@@H+]1CCC[C@@H](O)[C@@H]1C)OC ZINC000397060401 387536965 /nfs/dbraw/zinc/53/69/65/387536965.db2.gz PIORPDNXBUUVGQ-HBNTYKKESA-N 1 0 201.310 1.257 10 0 BDAERO [NH3+]C1([C@@H](O)c2occc2Br)CC1 ZINC000575528132 387537290 /nfs/dbraw/zinc/53/72/90/387537290.db2.gz PSBPMUMBWKGVFN-ZETCQYMHSA-N 1 0 232.077 1.567 10 0 BDAERO COC1(C[N@@H+]2CC[C@@H](CCO)C2)CCCC1 ZINC000361553702 387487174 /nfs/dbraw/zinc/48/71/74/387487174.db2.gz QDOYAUQBISFQNL-LBPRGKRZSA-N 1 0 227.348 1.650 10 0 BDAERO CC(C)(C)[NH2+]CCNC[C@H](O)C(C)(C)C ZINC000324640387 387489275 /nfs/dbraw/zinc/48/92/75/387489275.db2.gz XDDRJBMHMDPZBJ-JTQLQIEISA-N 1 0 216.369 1.371 10 0 BDAERO CC(C)=CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746723 387582799 /nfs/dbraw/zinc/58/27/99/387582799.db2.gz RVINILARAPAVIO-FOSCPWQOSA-N 1 0 222.332 1.694 10 0 BDAERO C[C@@H](C[NH2+][C@@H](C)C1CCCC1)N1CCOCC1 ZINC000123510851 387584494 /nfs/dbraw/zinc/58/44/94/387584494.db2.gz GDQBQPLVQVJAAI-STQMWFEESA-N 1 0 240.391 1.875 10 0 BDAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000528760374 387594887 /nfs/dbraw/zinc/59/48/87/387594887.db2.gz SMFBZULFVQGNQQ-KLVXDSBYSA-N 1 0 241.375 1.939 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000123947798 387601101 /nfs/dbraw/zinc/60/11/01/387601101.db2.gz NSCJJIJRVKNILN-ZIAGYGMSSA-N 1 0 248.374 1.408 10 0 BDAERO COc1ncccc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000124304536 387609696 /nfs/dbraw/zinc/60/96/96/387609696.db2.gz JFXRGTRHQWJFFF-LLVKDONJSA-N 1 0 236.315 1.295 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2O)CS1 ZINC000575544595 387626929 /nfs/dbraw/zinc/62/69/29/387626929.db2.gz GPZJRGAVMPTVTQ-XFWSIPNHSA-N 1 0 201.335 1.383 10 0 BDAERO CC(C)[C@@H](C(=O)N[C@@H](C)C(C)C)[C@H](C)[NH3+] ZINC000399530478 387552749 /nfs/dbraw/zinc/55/27/49/387552749.db2.gz RRWMZZKGKANTED-GARJFASQSA-N 1 0 214.353 1.767 10 0 BDAERO CCSCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000122602586 387565583 /nfs/dbraw/zinc/56/55/83/387565583.db2.gz OHSCMYCGFLEVKE-SNVBAGLBSA-N 1 0 230.377 1.292 10 0 BDAERO C[C@H]1CC[C@H]([NH2+]C2CC(O)C2)CS1 ZINC000575535565 387577304 /nfs/dbraw/zinc/57/73/04/387577304.db2.gz QNHCAFVNJQYCFL-DKEVHCRPSA-N 1 0 201.335 1.383 10 0 BDAERO C[C@@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000575549404 387647906 /nfs/dbraw/zinc/64/79/06/387647906.db2.gz JAWSPAWWGDYSII-BBBLOLIVSA-N 1 0 200.351 1.304 10 0 BDAERO [NH3+][C@@]1(C[C@@H]2CCCOC2)CCSC1 ZINC000575558228 387695902 /nfs/dbraw/zinc/69/59/02/387695902.db2.gz WVWOYRVWBHAMMK-VHSXEESVSA-N 1 0 201.335 1.638 10 0 BDAERO COC[C@H](O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000126140968 387674201 /nfs/dbraw/zinc/67/42/01/387674201.db2.gz CIFTZCCNEKSKOP-OAHLLOKOSA-N 1 0 247.338 1.783 10 0 BDAERO Cn1cc(N2CC[NH+](CC(C)(C)C)CC2)cn1 ZINC000126132165 387674662 /nfs/dbraw/zinc/67/46/62/387674662.db2.gz WNYAKUYQWIPBJH-UHFFFAOYSA-N 1 0 236.363 1.588 10 0 BDAERO [NH3+][C@]1(c2ccsc2Cl)CCOC1 ZINC000575555312 387691059 /nfs/dbraw/zinc/69/10/59/387691059.db2.gz KDIKYJMWXKNHHC-MRVPVSSYSA-N 1 0 203.694 1.976 10 0 BDAERO Cc1oncc1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128660198 387752492 /nfs/dbraw/zinc/75/24/92/387752492.db2.gz IEAIEJJSVZFVDM-NSHDSACASA-N 1 0 246.314 1.706 10 0 BDAERO C[C@H]1CSC[C@@]1([NH3+])C1CCOCC1 ZINC000575561061 387698363 /nfs/dbraw/zinc/69/83/63/387698363.db2.gz MKXATBQGAUOFFU-WPRPVWTQSA-N 1 0 201.335 1.493 10 0 BDAERO Cn1ncc(Br)c1[C@@H](F)C1C[NH2+]C1 ZINC000575559212 387701794 /nfs/dbraw/zinc/70/17/94/387701794.db2.gz NBSDWNHZGHABDG-ZETCQYMHSA-N 1 0 248.099 1.413 10 0 BDAERO C[C@@H]1CS[C@](C)([C@H]2CCCCO2)[NH2+]1 ZINC000575562737 387703587 /nfs/dbraw/zinc/70/35/87/387703587.db2.gz CLWAVOZAKIZAOP-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO CCN(C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000127555567 387720030 /nfs/dbraw/zinc/72/00/30/387720030.db2.gz SMUOTHMSNIOQAF-NSHDSACASA-N 1 0 227.352 1.474 10 0 BDAERO C[C@H]1SCC[C@@]1([NH3+])c1ccns1 ZINC000575568225 387727337 /nfs/dbraw/zinc/72/73/37/387727337.db2.gz NBQYSNJAHCBKKV-SVRRBLITSA-N 1 0 200.332 1.823 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc(Cl)cn2)CCO1 ZINC000169206050 387794667 /nfs/dbraw/zinc/79/46/67/387794667.db2.gz MCWFCRYPYYUOGM-SCZZXKLOSA-N 1 0 241.722 1.287 10 0 BDAERO c1ccc2c(c1)CC[C@@H](CN[C@H]1CC[NH2+]C1)C2 ZINC000643477984 387803178 /nfs/dbraw/zinc/80/31/78/387803178.db2.gz MKEINKDSXIFKCE-DOMZBBRYSA-N 1 0 230.355 1.743 10 0 BDAERO CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)CCO1 ZINC000423015969 387838918 /nfs/dbraw/zinc/83/89/18/387838918.db2.gz ARVQCSBVLOQORK-SRVKXCTJSA-N 1 0 226.364 1.532 10 0 BDAERO C(CN[C@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000423035447 387850545 /nfs/dbraw/zinc/85/05/45/387850545.db2.gz JMQOXNJUHGTQBC-NWDGAFQWSA-N 1 0 212.337 1.287 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000444615577 387893171 /nfs/dbraw/zinc/89/31/71/387893171.db2.gz GXCGMXUJPNUOTP-NWDGAFQWSA-N 1 0 215.337 1.504 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)[C@H]1C[C@H]1C ZINC000322102614 387895660 /nfs/dbraw/zinc/89/56/60/387895660.db2.gz YQWCWHPTYCTVHW-DBIOUOCHSA-N 1 0 231.361 1.198 10 0 BDAERO CC[C@H]([NH2+]CCn1cncn1)[C@H]1C[C@H]1C ZINC000322069292 387875435 /nfs/dbraw/zinc/87/54/35/387875435.db2.gz SEJZEZGIDMZNFU-VWYCJHECSA-N 1 0 208.309 1.302 10 0 BDAERO Cc1cc(C)c(N2CCNC2=[NH2+])c(C)c1 ZINC000033605049 177864766 /nfs/dbraw/zinc/86/47/66/177864766.db2.gz XQYQYDREBUDCIM-UHFFFAOYSA-N 1 0 203.289 1.747 10 0 BDAERO CCC[C@H](C)CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000195456922 387916664 /nfs/dbraw/zinc/91/66/64/387916664.db2.gz MMLUGNPJFFDRHV-NWDGAFQWSA-N 1 0 242.363 1.260 10 0 BDAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1cnn(C)c1 ZINC000396646510 387928730 /nfs/dbraw/zinc/92/87/30/387928730.db2.gz CGOSDLDIDVUVIE-NHCYSSNCSA-N 1 0 222.336 1.211 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[C@H]1C ZINC000245427298 387945860 /nfs/dbraw/zinc/94/58/60/387945860.db2.gz VUFYFNVWGFGYCK-IJLUTSLNSA-N 1 0 239.363 1.521 10 0 BDAERO CC[C@](C)(C[NH2+]C[C@H]1CCCC[C@H]1O)OC ZINC000322641515 387949062 /nfs/dbraw/zinc/94/90/62/387949062.db2.gz UKXKKZPGNNVJMI-JHJVBQTASA-N 1 0 229.364 1.942 10 0 BDAERO Cn1cc([C@@H]2CC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)cn1 ZINC000245623006 387968123 /nfs/dbraw/zinc/96/81/23/387968123.db2.gz OGCWZSOSNZZEQQ-MRVWCRGKSA-N 1 0 249.358 1.513 10 0 BDAERO c1cn(CCCN2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000245647957 387969705 /nfs/dbraw/zinc/96/97/05/387969705.db2.gz GIMATLDDBYKSOM-ZDUSSCGKSA-N 1 0 234.347 1.053 10 0 BDAERO CONC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245699814 387974905 /nfs/dbraw/zinc/97/49/05/387974905.db2.gz ZBJOZXHMSRSKBF-VXGBXAGGSA-N 1 0 249.314 1.292 10 0 BDAERO CCN1CC[C@H]([NH2+]C[C@@](C)(CC)OC)C1 ZINC000323022060 387991679 /nfs/dbraw/zinc/99/16/79/387991679.db2.gz JNOHBWVAXAADQY-NWDGAFQWSA-N 1 0 214.353 1.485 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CCS1 ZINC000245840104 387986306 /nfs/dbraw/zinc/98/63/06/387986306.db2.gz YOIVVOPLRRUSIT-GHMZBOCLSA-N 1 0 247.404 1.600 10 0 BDAERO CO[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081018426 388005433 /nfs/dbraw/zinc/00/54/33/388005433.db2.gz OVYHTTUHODMPHJ-SDDRHHMPSA-N 1 0 240.347 1.202 10 0 BDAERO CC[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246258785 388024337 /nfs/dbraw/zinc/02/43/37/388024337.db2.gz QLLFQKLZMYEBTM-WOPDTQHZSA-N 1 0 241.379 1.813 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@H]1C)C1CC1 ZINC000246274891 388025262 /nfs/dbraw/zinc/02/52/62/388025262.db2.gz MUOSFZJRDNSMKM-BNOWGMLFSA-N 1 0 240.391 1.730 10 0 BDAERO CC(C)CC[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000082559342 388037056 /nfs/dbraw/zinc/03/70/56/388037056.db2.gz MTHQTESLGBYLCL-WOPDTQHZSA-N 1 0 226.364 1.783 10 0 BDAERO [NH3+][C@@]1(c2ncc(Cl)cc2Cl)CCOC1 ZINC000306317016 388042536 /nfs/dbraw/zinc/04/25/36/388042536.db2.gz SFFDURBPQUXQNQ-VIFPVBQESA-N 1 0 233.098 1.963 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@](=O)[C@@H](C)C[NH2+]1 ZINC000306316368 388031283 /nfs/dbraw/zinc/03/12/83/388031283.db2.gz AAPMTOYOMJTHME-RVBZMBCESA-N 1 0 203.351 1.532 10 0 BDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1CC1 ZINC000083703938 388058957 /nfs/dbraw/zinc/05/89/57/388058957.db2.gz XKJFGCJNUIUETK-CMPLNLGQSA-N 1 0 222.332 1.482 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2ccnc(N(C)C)n2)C1 ZINC000085436980 388089025 /nfs/dbraw/zinc/08/90/25/388089025.db2.gz UTXRUZGBJKLEKG-NSHDSACASA-N 1 0 249.362 1.439 10 0 BDAERO Cc1nc2ccccc2nc1NC[C@@H](C)C[NH3+] ZINC000086634441 388105272 /nfs/dbraw/zinc/10/52/72/388105272.db2.gz QVUPJTAAZRFKPB-VIFPVBQESA-N 1 0 230.315 1.945 10 0 BDAERO CCOC[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000646146259 388156707 /nfs/dbraw/zinc/15/67/07/388156707.db2.gz RRLXUCFTCQXFPL-NEPJUHHUSA-N 1 0 242.363 1.245 10 0 BDAERO Cc1noc(CCC[N@H+]2C[C@@H](O)CC[C@@H]2C)n1 ZINC000645929109 388169769 /nfs/dbraw/zinc/16/97/69/388169769.db2.gz QETQAYJKCGWTGJ-ONGXEEELSA-N 1 0 239.319 1.156 10 0 BDAERO Cn1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000250625443 388177818 /nfs/dbraw/zinc/17/78/18/388177818.db2.gz WFQQAXZSWWBKNX-GXTWGEPZSA-N 1 0 249.358 1.547 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089212 388140217 /nfs/dbraw/zinc/14/02/17/388140217.db2.gz LOUNEIZPESICBE-QJPTWQEYSA-N 1 0 234.347 1.885 10 0 BDAERO CCCCNC(=O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646094084 388141635 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/nfs/dbraw/zinc/37/56/18/388375618.db2.gz FAOHGYCYONVVST-UHFFFAOYSA-N 1 0 225.361 1.677 10 0 BDAERO CCN(CC[NH3+])c1ccc(OC(F)F)cn1 ZINC000327642224 388380304 /nfs/dbraw/zinc/38/03/04/388380304.db2.gz ROEAUOPGTQOEHF-UHFFFAOYSA-N 1 0 231.246 1.468 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000294716766 388403410 /nfs/dbraw/zinc/40/34/10/388403410.db2.gz CHUDNCGHEPDTQX-GWCFXTLKSA-N 1 0 248.326 1.131 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CC1(C)C ZINC000397573806 388480324 /nfs/dbraw/zinc/48/03/24/388480324.db2.gz CUNJRXAVUQLGIN-XQQFMLRXSA-N 1 0 240.391 1.731 10 0 BDAERO CN1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000071518081 388444889 /nfs/dbraw/zinc/44/48/89/388444889.db2.gz WEILTHLBJIPFPQ-LLVKDONJSA-N 1 0 210.708 1.916 10 0 BDAERO Cc1cncc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000335598162 388451492 /nfs/dbraw/zinc/45/14/92/388451492.db2.gz USZGMZKZXKYKGA-JQWIXIFHSA-N 1 0 233.315 1.717 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](N=c2[nH]c3ccccc3[nH]2)C1 ZINC000335578715 388451703 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/nfs/dbraw/zinc/48/02/03/388480203.db2.gz CUNJRXAVUQLGIN-AVGNSLFASA-N 1 0 240.391 1.731 10 0 BDAERO CC[NH2+]CCCNc1ccc(C(F)(F)F)nn1 ZINC000167109337 388438656 /nfs/dbraw/zinc/43/86/56/388438656.db2.gz DEJZRXUKCAXKKM-UHFFFAOYSA-N 1 0 248.252 1.907 10 0 BDAERO C[C@H](CN1CCOCC1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246163805 388438899 /nfs/dbraw/zinc/43/88/99/388438899.db2.gz UUDUKZJTJUILEX-NEPJUHHUSA-N 1 0 244.404 1.144 10 0 BDAERO C[NH2+][C@H](C(N)=O)c1ccc(Br)s1 ZINC000041678948 388439156 /nfs/dbraw/zinc/43/91/56/388439156.db2.gz OGSFDVIETCUAHD-LURJTMIESA-N 1 0 249.133 1.256 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccc(C)cc2)C1 ZINC000343969556 388503571 /nfs/dbraw/zinc/50/35/71/388503571.db2.gz DTFHEBLCNYGVOF-ZIAGYGMSSA-N 1 0 235.327 1.577 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](Cc2cccs2)C1 ZINC000343959589 388503830 /nfs/dbraw/zinc/50/38/30/388503830.db2.gz BIMWODYWVDONEB-ZJUUUORDSA-N 1 0 227.329 1.330 10 0 BDAERO CCC[C@H](C)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344070824 388504785 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388660608 /nfs/dbraw/zinc/66/06/08/388660608.db2.gz DKUNCNXXBDIEHI-OLZOCXBDSA-N 1 0 244.379 1.064 10 0 BDAERO COc1c(C[N@@H+]2CC[C@@H](C)[C@H]2C)c(C)nn1C ZINC000247295128 388661758 /nfs/dbraw/zinc/66/17/58/388661758.db2.gz ZIOPPEGROAIIMK-MWLCHTKSSA-N 1 0 237.347 1.967 10 0 BDAERO COc1c(C[NH2+]C[C@@H](C)SC)c(C)nn1C ZINC000128074359 388738129 /nfs/dbraw/zinc/73/81/29/388738129.db2.gz MTAHJQJWSZDXID-MRVPVSSYSA-N 1 0 243.376 1.578 10 0 BDAERO OC[C@H]1C=C[C@H]([NH2+]Cc2cccs2)C1 ZINC000396446871 388702837 /nfs/dbraw/zinc/70/28/37/388702837.db2.gz QGWUDHHIKQKANP-UWVGGRQHSA-N 1 0 209.314 1.775 10 0 BDAERO C(CN1CC[N@@H+]2CCCC[C@@H]2C1)OCC1CC1 ZINC000226200965 388710268 /nfs/dbraw/zinc/71/02/68/388710268.db2.gz YAORFMZHTGKCEB-CQSZACIVSA-N 1 0 238.375 1.583 10 0 BDAERO CC(C)OC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000127105701 388714292 /nfs/dbraw/zinc/71/42/92/388714292.db2.gz OHEYXBSRPBSMHO-LLVKDONJSA-N 1 0 228.336 1.995 10 0 BDAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000249389222 388718937 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/nfs/dbraw/zinc/78/63/04/388786304.db2.gz YVJCXEHRHJWTQV-ZETCQYMHSA-N 1 0 214.315 1.031 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1c1cc(Br)nn1C ZINC000575502589 388990577 /nfs/dbraw/zinc/99/05/77/388990577.db2.gz RPKXISXEJYCFMK-NKWVEPMBSA-N 1 0 244.136 1.506 10 0 BDAERO CCC[C@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000272300003 389031573 /nfs/dbraw/zinc/03/15/73/389031573.db2.gz CXWJDECTKWVNCK-STQMWFEESA-N 1 0 223.316 1.471 10 0 BDAERO COCc1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)o1 ZINC000268799405 389004623 /nfs/dbraw/zinc/00/46/23/389004623.db2.gz PGQDHQSWYHWNCJ-GFCCVEGCSA-N 1 0 241.331 1.923 10 0 BDAERO C[C@@H]([NH2+]CCn1cncn1)c1cncc(F)c1 ZINC000268874587 389006318 /nfs/dbraw/zinc/00/63/18/389006318.db2.gz YLRYRHMWFGRADP-SECBINFHSA-N 1 0 235.266 1.163 10 0 BDAERO CO[C@@H](C)CC[NH2+]Cc1cnn(C)c1C ZINC000270283494 389011601 /nfs/dbraw/zinc/01/16/01/389011601.db2.gz YKYIPJDXJQWLND-VIFPVBQESA-N 1 0 211.309 1.243 10 0 BDAERO C1C[C@H](O[C@H]2CCC[NH2+]CC2)CS1 ZINC000575513317 389017573 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/nfs/dbraw/zinc/32/18/91/132321891.db2.gz WBVNAGISCJISQM-ZDUSSCGKSA-N 1 0 231.299 1.276 10 0 BDAERO C[C@@H]1C[C@H](C)CN(c2ncccc2C(N)=[NH2+])C1 ZINC000019502288 132325656 /nfs/dbraw/zinc/32/56/56/132325656.db2.gz SSRAZEKDUCCUGA-AOOOYVTPSA-N 1 0 232.331 1.848 10 0 BDAERO C[C@H]([NH3+])CN1c2ccccc2CCC1=O ZINC000023068340 132332977 /nfs/dbraw/zinc/33/29/77/132332977.db2.gz MOIJUAISXSBRAI-VIFPVBQESA-N 1 0 204.273 1.313 10 0 BDAERO COc1cc(N2CC[NH2+]CC2)c(OC)cc1C ZINC000027714862 132333912 /nfs/dbraw/zinc/33/39/12/132333912.db2.gz XJDJQRVAYJTBHO-UHFFFAOYSA-N 1 0 236.315 1.422 10 0 in-vivo BDAERO C[NH+]1CCN(c2ccc3c(c2)NCCC3)CC1 ZINC000032016111 132335166 /nfs/dbraw/zinc/33/51/66/132335166.db2.gz XRXCUHSBQWJPQY-UHFFFAOYSA-N 1 0 231.343 1.797 10 0 BDAERO CC(C)[NH+]1CCN(c2ncccc2N)CC1 ZINC000035367989 132338164 /nfs/dbraw/zinc/33/81/64/132338164.db2.gz OSMMWFKGKROSHS-UHFFFAOYSA-N 1 0 220.320 1.194 10 0 BDAERO [NH3+]CCCCN1C(=O)CCc2cc(F)ccc21 ZINC000035355544 132338273 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NHIUWVMCEMUJKI-UHFFFAOYSA-N 1 0 222.292 1.019 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cccnc2)C[C@@H]1C ZINC000049694147 132356755 /nfs/dbraw/zinc/35/67/55/132356755.db2.gz JHGCLHZUOCEGGU-AAEUAGOBSA-N 1 0 219.332 1.906 10 0 BDAERO Cc1cccnc1N1CCCC[C@H]1C[NH3+] ZINC000051041288 132359792 /nfs/dbraw/zinc/35/97/92/132359792.db2.gz VSGOVOJCQCJWJM-NSHDSACASA-N 1 0 205.305 1.708 10 0 BDAERO [NH3+]Cc1cccc(N2CCO[C@@H]3CCC[C@@H]32)n1 ZINC000051397577 132360423 /nfs/dbraw/zinc/36/04/23/132360423.db2.gz IXCMDJVDULYSHC-NWDGAFQWSA-N 1 0 233.315 1.298 10 0 BDAERO C[C@@H]1CN(c2cccc(C[NH2+]C3CC3)n2)CCO1 ZINC000051400116 132360899 /nfs/dbraw/zinc/36/08/99/132360899.db2.gz NWBYMKUPZDIMQY-LLVKDONJSA-N 1 0 247.342 1.559 10 0 BDAERO [NH3+]Cc1cc(N2CCCOC2=O)ccc1F ZINC000051636968 132361503 /nfs/dbraw/zinc/36/15/03/132361503.db2.gz KILVCIFWYLCJAR-UHFFFAOYSA-N 1 0 224.235 1.631 10 0 BDAERO Cc1ccc(C[NH3+])c(N2CCC[C@H](O)C2)c1 ZINC000051579045 132361585 /nfs/dbraw/zinc/36/15/85/132361585.db2.gz HHTKCBHDELEBDZ-LBPRGKRZSA-N 1 0 220.316 1.415 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1c1cccnn1 ZINC000053698467 132363172 /nfs/dbraw/zinc/36/31/72/132363172.db2.gz SDVHSYXEMCUPLW-LLVKDONJSA-N 1 0 220.320 1.445 10 0 BDAERO Cc1ccc(N2CCC(CC[NH3+])CC2)nn1 ZINC000053705840 132363357 /nfs/dbraw/zinc/36/33/57/132363357.db2.gz SENOPKFQAREJAD-UHFFFAOYSA-N 1 0 220.320 1.350 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ccc(C)cn1 ZINC000053706597 132363383 /nfs/dbraw/zinc/36/33/83/132363383.db2.gz VPYQRHJZZCXVHF-GFCCVEGCSA-N 1 0 219.332 1.968 10 0 BDAERO Cc1cc(N2C[C@@H](C)[NH2+][C@H](C)C2)nc(C)n1 ZINC000053712410 132363679 /nfs/dbraw/zinc/36/36/79/132363679.db2.gz AAHPFQMFLWOHSQ-NXEZZACHSA-N 1 0 220.320 1.280 10 0 BDAERO C[C@H]1CN(c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000054348199 132364028 /nfs/dbraw/zinc/36/40/28/132364028.db2.gz QEUXLZUHNVBKQU-NSHDSACASA-N 1 0 219.332 1.551 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ncccc1F ZINC000054701333 132365114 /nfs/dbraw/zinc/36/51/14/132365114.db2.gz XGOWRMZPTOLZQD-JTQLQIEISA-N 1 0 223.295 1.799 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2ccnc(C)n2)C1 ZINC000054937581 132365183 /nfs/dbraw/zinc/36/51/83/132365183.db2.gz VDEMESAQMDQBEC-LBPRGKRZSA-N 1 0 234.347 1.611 10 0 BDAERO C[C@@H]1CN(c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000055236501 132365273 /nfs/dbraw/zinc/36/52/73/132365273.db2.gz ICUIWLWDBUMSDY-MRVPVSSYSA-N 1 0 212.243 1.763 10 0 BDAERO COc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])ncn1 ZINC000234907286 132366895 /nfs/dbraw/zinc/36/68/95/132366895.db2.gz FQSWBHDEVQLSKG-VHSXEESVSA-N 1 0 236.319 1.049 10 0 BDAERO C[C@H]([NH3+])c1ccc2c(c1)CCC(=O)N2C ZINC000058111876 132368034 /nfs/dbraw/zinc/36/80/34/132368034.db2.gz IXCKDLIYNFLMAB-QMMMGPOBSA-N 1 0 204.273 1.615 10 0 BDAERO COc1ccnc(N2CCCC[C@H]2[C@@H](C)[NH3+])n1 ZINC000063196591 132389134 /nfs/dbraw/zinc/38/91/34/132389134.db2.gz DRZDUESXKQXRSU-ZJUUUORDSA-N 1 0 236.319 1.191 10 0 BDAERO Cc1cc(C)nc(N2CC[C@@H](C)C[C@@H]2C[NH3+])n1 ZINC000235373585 132395314 /nfs/dbraw/zinc/39/53/14/132395314.db2.gz LUWHVUXAGFBEEE-BXKDBHETSA-N 1 0 234.347 1.657 10 0 BDAERO CC[C@H]1COCCN1c1ccccc1CC[NH3+] ZINC000104263570 132435578 /nfs/dbraw/zinc/43/55/78/132435578.db2.gz QZLVSOAOOJNLLE-ZDUSSCGKSA-N 1 0 234.343 1.803 10 0 BDAERO CC[NH2+][C@@H](C)C1CCN(c2ncc(C)cn2)CC1 ZINC000104409253 132436158 /nfs/dbraw/zinc/43/61/58/132436158.db2.gz VOIYPYBONMEXHK-LBPRGKRZSA-N 1 0 248.374 1.999 10 0 BDAERO CC[C@H](O)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162580732 133521522 /nfs/dbraw/zinc/52/15/22/133521522.db2.gz GBRGSAQRIMUIJG-BJDJZHNGSA-N 1 0 227.348 1.551 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCOCC2(CCC2)C1 ZINC000334500559 133654726 /nfs/dbraw/zinc/65/47/26/133654726.db2.gz HXJFMRFYAAFTQP-QWHCGFSZSA-N 1 0 239.359 1.792 10 0 BDAERO CC[C@H](CSC)[N@H+](C)C[C@@H](C)C(=O)OC ZINC000167586764 134101400 /nfs/dbraw/zinc/10/14/00/134101400.db2.gz PTPYGWIIWFWZIP-NXEZZACHSA-N 1 0 233.377 1.869 10 0 BDAERO OC1(CC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000336171516 134115231 /nfs/dbraw/zinc/11/52/31/134115231.db2.gz HPKXJNIZXPNLOF-OCCSQVGLSA-N 1 0 239.359 1.528 10 0 BDAERO OC1(CC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000336171515 134115407 /nfs/dbraw/zinc/11/54/07/134115407.db2.gz HPKXJNIZXPNLOF-JSGCOSHPSA-N 1 0 239.359 1.528 10 0 BDAERO CC1(C)C(=O)NCCN1C[C@@H]1CCCC1(F)F ZINC000336190317 134123541 /nfs/dbraw/zinc/12/35/41/134123541.db2.gz CLYVBYIOHYHEDD-VIFPVBQESA-N 1 0 246.301 1.632 10 0 BDAERO CC(C)CCOCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168743735 134247764 /nfs/dbraw/zinc/24/77/64/134247764.db2.gz ZWZMHTLNWLBBJT-CYBMUJFWSA-N 1 0 228.380 1.781 10 0 BDAERO CCn1ccnc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000171648231 134257460 /nfs/dbraw/zinc/25/74/60/134257460.db2.gz CKJIXSUZIFODEY-UHFFFAOYSA-N 1 0 248.374 1.573 10 0 BDAERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCO2)cn1 ZINC000171413567 134258149 /nfs/dbraw/zinc/25/81/49/134258149.db2.gz DZXKSCBOPKADRW-STQMWFEESA-N 1 0 235.331 1.736 10 0 BDAERO Cn1cc([C@H]2CCC[N@@H+]2CCCCCO)cn1 ZINC000171504366 134258941 /nfs/dbraw/zinc/25/89/41/134258941.db2.gz HPZKCKFLCPHMCH-CYBMUJFWSA-N 1 0 237.347 1.720 10 0 BDAERO C[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCS1 ZINC000171701225 134260486 /nfs/dbraw/zinc/26/04/86/134260486.db2.gz HBFHBOBVBYCOSH-QWRGUYRKSA-N 1 0 215.362 1.993 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)NCC2(C)CCC2)C1 ZINC000174990645 134283925 /nfs/dbraw/zinc/28/39/25/134283925.db2.gz PNWLJPGCNIDNIX-NSHDSACASA-N 1 0 239.363 1.522 10 0 BDAERO O=C(CCC1CCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176520144 134292814 /nfs/dbraw/zinc/29/28/14/134292814.db2.gz OTJCTPFXXYDCKY-CYBMUJFWSA-N 1 0 236.359 1.873 10 0 BDAERO CCO[C@@H]1C[C@@H]1C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000178295483 134305903 /nfs/dbraw/zinc/30/59/03/134305903.db2.gz OIYWXYYUNXZENI-SDDRHHMPSA-N 1 0 242.363 1.243 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178589900 134311803 /nfs/dbraw/zinc/31/18/03/134311803.db2.gz KHIMSSQZFMZUJH-QWRGUYRKSA-N 1 0 212.337 1.476 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2CCCOCC2)c1 ZINC000221096366 134318566 /nfs/dbraw/zinc/31/85/66/134318566.db2.gz TZOQFXGDWJYIEJ-GFCCVEGCSA-N 1 0 223.320 1.350 10 0 BDAERO 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C(CC1CC1)[NH2+][C@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261873315 135258885 /nfs/dbraw/zinc/25/88/85/135258885.db2.gz DKHDHUPQHNHGDO-HZSPNIEDSA-N 1 0 238.375 1.533 10 0 BDAERO CCCSCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261893042 135260779 /nfs/dbraw/zinc/26/07/79/135260779.db2.gz VKOYNJJGTYVWIR-GHMZBOCLSA-N 1 0 244.404 1.715 10 0 BDAERO C[C@H]([NH3+])CC(=O)NCc1nccc2ccccc21 ZINC000261926078 135263868 /nfs/dbraw/zinc/26/38/68/135263868.db2.gz YFNMUUIAOIQLOI-JTQLQIEISA-N 1 0 243.310 1.588 10 0 BDAERO FC(F)(F)C1(CNC2=[NH+]CCCN2)CCC1 ZINC000262120490 135280542 /nfs/dbraw/zinc/28/05/42/135280542.db2.gz MAERLZRUPBJVQI-UHFFFAOYSA-N 1 0 235.253 1.658 10 0 BDAERO C[C@@H](C(=O)NC1(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000262223951 135286149 /nfs/dbraw/zinc/28/61/49/135286149.db2.gz PLXNBGHSBYMYFX-LLVKDONJSA-N 1 0 244.338 1.647 10 0 BDAERO O=C(NCCC1CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262338033 135293559 /nfs/dbraw/zinc/29/35/59/135293559.db2.gz FIPFHLVMJCHUFW-GXTWGEPZSA-N 1 0 236.359 1.683 10 0 BDAERO COc1ccccc1[C@@]1(C)C[C@H]1NC(N)=[NH2+] ZINC000262686696 135313725 /nfs/dbraw/zinc/31/37/25/135313725.db2.gz VDOJLLYYRIBJPG-ZYHUDNBSSA-N 1 0 219.288 1.208 10 0 BDAERO NC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262767542 135317540 /nfs/dbraw/zinc/31/75/40/135317540.db2.gz GOUWKVMEUKMFMJ-GVJMRKKJSA-N 1 0 225.242 1.694 10 0 BDAERO CS[C@@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263157023 135336096 /nfs/dbraw/zinc/33/60/96/135336096.db2.gz DNDDRASDVGMTET-JGVFFNPUSA-N 1 0 242.348 1.070 10 0 BDAERO CC(C)[C@@H](CNC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000263286597 135344522 /nfs/dbraw/zinc/34/45/22/135344522.db2.gz KSCNCIPRFKKXHO-CQSZACIVSA-N 1 0 246.354 1.762 10 0 BDAERO CCOc1cccc([C@@H](C)NC(=O)C2C[NH2+]C2)c1 ZINC000263306957 135345636 /nfs/dbraw/zinc/34/56/36/135345636.db2.gz ONTHTXZVLIPIOG-SNVBAGLBSA-N 1 0 248.326 1.482 10 0 BDAERO Cc1ccccc1[C@@H](NC(=O)C1C[NH2+]C1)C1CC1 ZINC000263324080 135346581 /nfs/dbraw/zinc/34/65/81/135346581.db2.gz SFCRIYXOJDSYPM-AWEZNQCLSA-N 1 0 244.338 1.782 10 0 BDAERO C[C@H](C(=O)N1Cc2ccccc2C1)C1C[NH2+]C1 ZINC000164490832 135373463 /nfs/dbraw/zinc/37/34/63/135373463.db2.gz PFFHPAKCRAOQPI-JTQLQIEISA-N 1 0 230.311 1.384 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000299999403 135383596 /nfs/dbraw/zinc/38/35/96/135383596.db2.gz ZQYBPXUVSBCABA-UHTWSYAYSA-N 1 0 227.348 1.695 10 0 BDAERO Cc1n[nH]cc1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000080042392 135398025 /nfs/dbraw/zinc/39/80/25/135398025.db2.gz LMEKQOSVSCQWSH-LBPRGKRZSA-N 1 0 244.298 1.148 10 0 BDAERO [NH3+]CCc1nc(C(=O)Nc2cccnc2)cs1 ZINC000090945307 135556626 /nfs/dbraw/zinc/55/66/26/135556626.db2.gz DAFBAVLPLCKQTJ-UHFFFAOYSA-N 1 0 248.311 1.292 10 0 BDAERO CN1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000091527926 135563456 /nfs/dbraw/zinc/56/34/56/135563456.db2.gz BAHYYKZFGHQDKL-CQSZACIVSA-N 1 0 240.391 1.877 10 0 BDAERO Cn1cccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000092785391 135582315 /nfs/dbraw/zinc/58/23/15/135582315.db2.gz VKHNJCGSAQPXJK-GFCCVEGCSA-N 1 0 222.332 1.762 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCCO1 ZINC000094447455 135614802 /nfs/dbraw/zinc/61/48/02/135614802.db2.gz CESRGDWFXFXPIJ-MCIONIFRSA-N 1 0 238.375 1.724 10 0 BDAERO C[C@H]1CCN(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000334970394 135853885 /nfs/dbraw/zinc/85/38/85/135853885.db2.gz XQXMRPFFKHCRAM-QWRGUYRKSA-N 1 0 239.363 1.507 10 0 BDAERO CC(C)n1ccnc1CN1CC[NH2+][C@H](C)C1 ZINC000335299211 136007901 /nfs/dbraw/zinc/00/79/01/136007901.db2.gz GFZQLMYYCVBKGH-LLVKDONJSA-N 1 0 222.336 1.258 10 0 BDAERO CC(C)n1ccnc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000335305475 136022200 /nfs/dbraw/zinc/02/22/00/136022200.db2.gz WRGSTXKOPZEFSZ-WDEREUQCSA-N 1 0 222.336 1.243 10 0 BDAERO FC(F)(F)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335344314 136065637 /nfs/dbraw/zinc/06/56/37/136065637.db2.gz BRGAVPGDUIXHOB-JTQLQIEISA-N 1 0 236.281 1.870 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(O)cc1 ZINC000054307310 322856020 /nfs/dbraw/zinc/85/60/20/322856020.db2.gz YISPJFRLWDPFJY-SNVBAGLBSA-N 1 0 234.299 1.720 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000401636280 533674079 /nfs/dbraw/zinc/67/40/79/533674079.db2.gz CACPWZWHVLKXLX-BNOWGMLFSA-N 1 0 241.375 1.630 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCOCC(F)(F)F)C1 ZINC000401971269 533674472 /nfs/dbraw/zinc/67/44/72/533674472.db2.gz ZWZFTRIVASJZBM-RKDXNWHRSA-N 1 0 241.253 1.268 10 0 BDAERO [NH3+]C1CCC(C(=O)Nc2ccc(F)cn2)CC1 ZINC000382374584 397941880 /nfs/dbraw/zinc/94/18/80/397941880.db2.gz ZYBKAQXAQIABSX-UHFFFAOYSA-N 1 0 237.278 1.677 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H](Nc2ncncc2Cl)C1 ZINC000382520001 397953905 /nfs/dbraw/zinc/95/39/05/397953905.db2.gz SWBLIFPYGUHSHS-HTQZYQBOSA-N 1 0 226.711 1.812 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2cn[nH]c2)CC1 ZINC000616684066 397925857 /nfs/dbraw/zinc/92/58/57/397925857.db2.gz BDLUMWYFWUDXCW-NSHDSACASA-N 1 0 209.293 1.582 10 0 BDAERO CSCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000082699515 397996922 /nfs/dbraw/zinc/99/69/22/397996922.db2.gz WEYHEZYNHOJNPJ-GHMZBOCLSA-N 1 0 214.378 1.518 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1Cc1cccc(F)c1 ZINC000159144696 398009184 /nfs/dbraw/zinc/00/91/84/398009184.db2.gz XPLXJLUZKQRKBS-PWSUYJOCSA-N 1 0 209.264 1.339 10 0 BDAERO OCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000383662831 398047725 /nfs/dbraw/zinc/04/77/25/398047725.db2.gz JVDWTQKVAXXAGN-HZSPNIEDSA-N 1 0 241.375 1.774 10 0 BDAERO CC[C@@H]1C[C@@]2(CO1)[NH2+][C@H](C)CCS2 ZINC000575509998 397970575 /nfs/dbraw/zinc/97/05/75/397970575.db2.gz SEUQIMZLGKMGII-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO [NH3+]C1(c2c(F)cccc2Cl)COC1 ZINC000575581204 397982381 /nfs/dbraw/zinc/98/23/81/397982381.db2.gz LOTAIIMPONTQAM-UHFFFAOYSA-N 1 0 201.628 1.663 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000616571345 397982762 /nfs/dbraw/zinc/98/27/62/397982762.db2.gz KXLDMCNNLXYAQZ-LLVKDONJSA-N 1 0 224.348 1.491 10 0 BDAERO COC(=O)[C@@]1(c2ccccc2Cl)CC[NH2+]C1 ZINC000260473850 398093393 /nfs/dbraw/zinc/09/33/93/398093393.db2.gz HKJXNNNGPXBULZ-LBPRGKRZSA-N 1 0 239.702 1.744 10 0 BDAERO C/C=C1\[C@@H]2C=C(C)C[C@@]1([NH3+])c1ccc(=O)[nH]c1C2 ZINC000009411212 398088269 /nfs/dbraw/zinc/08/82/69/398088269.db2.gz ZRJBHWIHUMBLCN-JRYCNTDSSA-N 1 0 242.322 1.998 10 0 investigational BDAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000307568135 398052218 /nfs/dbraw/zinc/05/22/18/398052218.db2.gz VLJANPAIVHNVSP-DOLQZWNJSA-N 1 0 201.335 1.647 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncncc1Cl ZINC000389720899 398129397 /nfs/dbraw/zinc/12/93/97/398129397.db2.gz FUNXJAYDDXWVOU-VXNVDRBHSA-N 1 0 226.711 1.540 10 0 BDAERO [NH3+][C@@H]1CO[C@H](c2ncc(Cl)s2)C1 ZINC000575507416 398130109 /nfs/dbraw/zinc/13/01/09/398130109.db2.gz HIMFXTJJLDENDL-WHFBIAKZSA-N 1 0 204.682 1.585 10 0 BDAERO Cc1csc2c1ncnc2N(C)CCC[NH3+] ZINC000222263163 398123028 /nfs/dbraw/zinc/12/30/28/398123028.db2.gz ORJPTTXBNLWYJZ-UHFFFAOYSA-N 1 0 236.344 1.785 10 0 BDAERO CC(C)C[NH2+]CCN1CCO[C@H]2CCCC[C@@H]21 ZINC000052573076 167004862 /nfs/dbraw/zinc/00/48/62/167004862.db2.gz SCEGZOYUGOYONQ-KBPBESRZSA-N 1 0 240.391 1.875 10 0 BDAERO CC(C)C[NH2+]Cc1nc2c(s1)CN(C)CC2 ZINC000061799966 167010865 /nfs/dbraw/zinc/01/08/65/167010865.db2.gz KZQVHXJVMLSDKU-UHFFFAOYSA-N 1 0 239.388 1.877 10 0 BDAERO CC(C)[NH2+]CC(=O)N(CCO)C1CCCCC1 ZINC000037809763 167094287 /nfs/dbraw/zinc/09/42/87/167094287.db2.gz JZBXFTOYFMAZJT-UHFFFAOYSA-N 1 0 242.363 1.138 10 0 BDAERO CC(C)[NH2+]CCN(C)C[C@@H]1CCCCO1 ZINC000042308774 167103061 /nfs/dbraw/zinc/10/30/61/167103061.db2.gz DGCSPRPYRRMBOI-LBPRGKRZSA-N 1 0 214.353 1.485 10 0 BDAERO CC(C)[NH2+]CCN1CCCO[C@@H](C)C1 ZINC000061916996 167105031 /nfs/dbraw/zinc/10/50/31/167105031.db2.gz LNBIVUIHJJGQFJ-NSHDSACASA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)[NH2+][C@H](CO)c1ccc2c(c1)OCO2 ZINC000038115822 167140565 /nfs/dbraw/zinc/14/05/65/167140565.db2.gz PLZPPEDMIQSLAZ-SNVBAGLBSA-N 1 0 223.272 1.447 10 0 BDAERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccc(F)cc1 ZINC000037446451 167143195 /nfs/dbraw/zinc/14/31/95/167143195.db2.gz WVGHVHVZEHOKSA-LBPRGKRZSA-N 1 0 224.279 1.524 10 0 BDAERO CCO[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227809790 487559457 /nfs/dbraw/zinc/55/94/57/487559457.db2.gz KDDCQFBZNZQOPI-IJLUTSLNSA-N 1 0 240.347 1.141 10 0 BDAERO CC[NH2+]CCCNc1ncnc2c1CCCC2 ZINC000094872427 487561078 /nfs/dbraw/zinc/56/10/78/487561078.db2.gz FNTYHIGTLGAFKC-UHFFFAOYSA-N 1 0 234.347 1.767 10 0 BDAERO [NH3+]C1CCC(c2nc(-c3ncc[nH]3)no2)CC1 ZINC000094937117 487563713 /nfs/dbraw/zinc/56/37/13/487563713.db2.gz FECGPBOOFDWNSY-UHFFFAOYSA-N 1 0 233.275 1.445 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094937371 487563990 /nfs/dbraw/zinc/56/39/90/487563990.db2.gz DSZVWPIPHKRGQK-JGVFFNPUSA-N 1 0 233.275 1.302 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324251900 487564371 /nfs/dbraw/zinc/56/43/71/487564371.db2.gz DTJINNJWJJOECS-VXGBXAGGSA-N 1 0 247.379 1.161 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCc1ccc(F)cc1C ZINC000094955990 487565015 /nfs/dbraw/zinc/56/50/15/487565015.db2.gz KHLZOTBFMLMENC-SNVBAGLBSA-N 1 0 238.306 1.401 10 0 BDAERO CC(C)OC1CC([NH2+]C[C@@H]2CCC[C@@H]2O)C1 ZINC000336744285 167176738 /nfs/dbraw/zinc/17/67/38/167176738.db2.gz QAUKNSPSSATWSY-WTIISPKJSA-N 1 0 227.348 1.693 10 0 BDAERO CC(C)C[C@@H](C)C[N@@H+]1CCOC[C@@H]1CO ZINC000300979015 487566706 /nfs/dbraw/zinc/56/67/06/487566706.db2.gz TYBPHCHKZXYULK-NEPJUHHUSA-N 1 0 215.337 1.362 10 0 BDAERO CC(=O)c1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094997440 487568411 /nfs/dbraw/zinc/56/84/11/487568411.db2.gz LVRLSCMDILHLEX-CYBMUJFWSA-N 1 0 245.326 1.569 10 0 BDAERO CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1O ZINC000393453385 487575204 /nfs/dbraw/zinc/57/52/04/487575204.db2.gz FWMHBTRMXHDLCQ-QJPTWQEYSA-N 1 0 229.364 1.677 10 0 BDAERO CC(C)OCCN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000082643377 167234926 /nfs/dbraw/zinc/23/49/26/167234926.db2.gz UCQAQJWVMDLABR-RYUDHWBXSA-N 1 0 214.353 1.471 10 0 BDAERO CCc1nc(C[NH2+]CC2CC(O)C2)cs1 ZINC000084449113 322913528 /nfs/dbraw/zinc/91/35/28/322913528.db2.gz CZWRUXZBZVMSTO-UHFFFAOYSA-N 1 0 226.345 1.566 10 0 BDAERO CC[N@H+](CCCO)C[C@@H]1CCC[C@H](O)C1 ZINC000308946225 487597191 /nfs/dbraw/zinc/59/71/91/487597191.db2.gz WIFVFFZTTOXSBF-NEPJUHHUSA-N 1 0 215.337 1.242 10 0 BDAERO CC[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000306078174 487606566 /nfs/dbraw/zinc/60/65/66/487606566.db2.gz BHZVEXQKLKCFEI-FDYHWXHSSA-N 1 0 238.375 1.879 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000308839371 409911073 /nfs/dbraw/zinc/91/10/73/409911073.db2.gz XYWVOVKKFPPWCO-GARJFASQSA-N 1 0 215.337 1.144 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000660924972 409970755 /nfs/dbraw/zinc/97/07/55/409970755.db2.gz QXMOVKRXHGSUNJ-BFHYXJOUSA-N 1 0 239.359 1.933 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401407 409975666 /nfs/dbraw/zinc/97/56/66/409975666.db2.gz MKENDFJFYSKQRN-WXHSDQCUSA-N 1 0 232.327 1.991 10 0 BDAERO COCCC[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000308912923 409936056 /nfs/dbraw/zinc/93/60/56/409936056.db2.gz MZQGSRUUGOIEPT-NWDGAFQWSA-N 1 0 215.337 1.506 10 0 BDAERO C[C@@H](CCn1cc(C[NH3+])nn1)c1ccccc1 ZINC000409422734 409995758 /nfs/dbraw/zinc/99/57/58/409995758.db2.gz HTNLCDQSPPKPNC-NSHDSACASA-N 1 0 230.315 1.931 10 0 BDAERO Brc1cc2n(c1)CC[NH2+]C2 ZINC000083283678 166095496 /nfs/dbraw/zinc/09/54/96/166095496.db2.gz AZNGOZJXQZIYQJ-UHFFFAOYSA-N 1 0 201.067 1.354 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nc([C@@H](C)OC)ns1 ZINC000663278598 410092371 /nfs/dbraw/zinc/09/23/71/410092371.db2.gz KQFQSCUVHAHQCY-NKWVEPMBSA-N 1 0 230.337 1.265 10 0 BDAERO c1cc2ncnc(NCC34CC(C3)C[NH2+]4)c2s1 ZINC000663274482 410092646 /nfs/dbraw/zinc/09/26/46/410092646.db2.gz QUOHSBIDUMBBPL-UHFFFAOYSA-N 1 0 246.339 1.855 10 0 BDAERO Cc1nccc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000227201743 487613555 /nfs/dbraw/zinc/61/35/55/487613555.db2.gz NQLMTYCOHHHFHY-MWLCHTKSSA-N 1 0 220.320 1.349 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC=CCC1 ZINC000309045925 410208886 /nfs/dbraw/zinc/20/88/86/410208886.db2.gz NBDADSHVSQNTFQ-GMTAPVOTSA-N 1 0 208.305 1.291 10 0 BDAERO Cc1cc(NC[C@@H]([NH3+])C(C)C)nc(C)n1 ZINC000070010746 410257185 /nfs/dbraw/zinc/25/71/85/410257185.db2.gz GBIAMZMTKSIRNY-SNVBAGLBSA-N 1 0 208.309 1.489 10 0 BDAERO Brc1cncc([C@H]2CC[NH2+]C2)c1 ZINC000211516980 166105616 /nfs/dbraw/zinc/10/56/16/166105616.db2.gz FNFPSSBFQIHSSV-ZETCQYMHSA-N 1 0 227.105 1.921 10 0 BDAERO Brc1cnn(C[C@H]2CC[NH2+]C2)c1 ZINC000051890425 166106174 /nfs/dbraw/zinc/10/61/74/166106174.db2.gz KPOZXCHKFFFNBW-ZETCQYMHSA-N 1 0 230.109 1.255 10 0 BDAERO C[C@H]1CN(CC23CC(C2)C[NH2+]3)CCS1 ZINC000634992482 410330859 /nfs/dbraw/zinc/33/08/59/410330859.db2.gz QLWKHVSPOUYCIX-WHXUTIOJSA-N 1 0 212.362 1.176 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1ccco1 ZINC000128914950 410365244 /nfs/dbraw/zinc/36/52/44/410365244.db2.gz MIRJDZOZFLYENR-LLVKDONJSA-N 1 0 224.304 1.611 10 0 BDAERO CCc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)n[nH]1 ZINC000129132246 410367458 /nfs/dbraw/zinc/36/74/58/410367458.db2.gz XCTPKBCJISUAQF-JGVFFNPUSA-N 1 0 222.292 1.038 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)cn1 ZINC000335598203 410450342 /nfs/dbraw/zinc/45/03/42/410450342.db2.gz VMGOBUOBRIUKAB-JQWIXIFHSA-N 1 0 233.315 1.717 10 0 BDAERO CC(C)(C)C(=O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000042438199 166521221 /nfs/dbraw/zinc/52/12/21/166521221.db2.gz WQXNQYWXAVHPHV-UHFFFAOYSA-N 1 0 240.347 1.189 10 0 BDAERO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C[NH3+])O1 ZINC000082347401 166662962 /nfs/dbraw/zinc/66/29/62/166662962.db2.gz CGYPUZFLAMJYLR-DTWKUNHWSA-N 1 0 230.308 1.017 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]2O[C@@H]1CC[C@@H]2[NH3+] ZINC000102222734 166668094 /nfs/dbraw/zinc/66/80/94/166668094.db2.gz KZXAPDJGUHHGSR-AXTSPUMRSA-N 1 0 242.319 1.158 10 0 BDAERO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)CC(F)F ZINC000655482884 410737225 /nfs/dbraw/zinc/73/72/25/410737225.db2.gz ANBIRMTVGJIOQQ-VHSXEESVSA-N 1 0 248.317 1.784 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCSC1 ZINC000393728938 410755460 /nfs/dbraw/zinc/75/54/60/410755460.db2.gz DJHKDMBTAXDFNQ-IJLUTSLNSA-N 1 0 229.389 1.975 10 0 BDAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCO1 ZINC000309318069 410824670 /nfs/dbraw/zinc/82/46/70/410824670.db2.gz ZLOKNTUNIKOZHT-JHJVBQTASA-N 1 0 227.348 1.648 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000395241586 410845712 /nfs/dbraw/zinc/84/57/12/410845712.db2.gz KWDRJCBMEDZYFQ-JFGNBEQYSA-N 1 0 224.348 1.537 10 0 BDAERO [NH3+]CC1(CCN=c2[nH]c3ccccc3o2)CC1 ZINC000395935699 410866049 /nfs/dbraw/zinc/86/60/49/410866049.db2.gz HIOWHWKAMAJFRQ-UHFFFAOYSA-N 1 0 231.299 1.791 10 0 BDAERO CC(C)C[NH2+]Cc1cn2c(n1)CCCC2 ZINC000271302880 167009532 /nfs/dbraw/zinc/00/95/32/167009532.db2.gz PDEIAXIUNVNGKJ-UHFFFAOYSA-N 1 0 207.321 1.965 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@H]2C[C@H]2C)C1 ZINC000119498715 167032338 /nfs/dbraw/zinc/03/23/38/167032338.db2.gz RIZZCWZHGAVNDT-NOOOWODRSA-N 1 0 239.363 1.423 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccco2)[C@@H](C)C1 ZINC000155756054 167033112 /nfs/dbraw/zinc/03/31/12/167033112.db2.gz JCXBSDOBKXLZTE-QWRGUYRKSA-N 1 0 236.315 1.738 10 0 BDAERO CC(C)N1C[C@H]([NH2+]Cc2cccn2C)[C@@H](C)C1 ZINC000152358839 167033342 /nfs/dbraw/zinc/03/33/42/167033342.db2.gz UJYMCSMVJPYRTK-JSGCOSHPSA-N 1 0 235.375 1.843 10 0 BDAERO CC(C)NC(=O)C[N@H+](C)CCc1ccccc1N ZINC000052918633 167049117 /nfs/dbraw/zinc/04/91/17/167049117.db2.gz JLRNYQPEDCINKM-UHFFFAOYSA-N 1 0 249.358 1.268 10 0 BDAERO CC(C)NC(=O)CN(C)c1ccccc1C[NH3+] ZINC000042600206 167049184 /nfs/dbraw/zinc/04/91/84/167049184.db2.gz DMEFXMXAYXIDFN-UHFFFAOYSA-N 1 0 235.331 1.106 10 0 BDAERO CC(C)NC(=O)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009955 167059158 /nfs/dbraw/zinc/05/91/58/167059158.db2.gz MAKXQEZSNASUFQ-GFCCVEGCSA-N 1 0 248.326 1.104 10 0 BDAERO CC(C)NC(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000020209456 167066367 /nfs/dbraw/zinc/06/63/67/167066367.db2.gz QPSHSLZPAXJXJZ-NSHDSACASA-N 1 0 227.352 1.568 10 0 BDAERO CC(C)NC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051359133 167068997 /nfs/dbraw/zinc/06/89/97/167068997.db2.gz JFVXMCDKEXGKDZ-QWRGUYRKSA-N 1 0 225.336 1.321 10 0 BDAERO CC(C)NC(=O)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000035691119 167077516 /nfs/dbraw/zinc/07/75/16/167077516.db2.gz OWSVRTGLKNEEIH-NXEZZACHSA-N 1 0 213.325 1.225 10 0 BDAERO CC(C)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000037819584 167095936 /nfs/dbraw/zinc/09/59/36/167095936.db2.gz NTRSDDVUVBCUAO-GFCCVEGCSA-N 1 0 235.331 1.676 10 0 BDAERO CC(C)[NH2+]CC(=O)Nc1ccccc1[C@@H](C)O ZINC000049547442 167096990 /nfs/dbraw/zinc/09/69/90/167096990.db2.gz OULYWVDYVJOBPL-SNVBAGLBSA-N 1 0 236.315 1.676 10 0 BDAERO CC(C)[NH2+]CCC(=O)N1CCC[C@H]1CCCO ZINC000052763682 167100138 /nfs/dbraw/zinc/10/01/38/167100138.db2.gz COVSEPJXKCNUAL-LBPRGKRZSA-N 1 0 242.363 1.138 10 0 BDAERO CC(C)[NH2+]CCCC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000037633296 167102734 /nfs/dbraw/zinc/10/27/34/167102734.db2.gz FAHKFOKVRDWNOG-NWDGAFQWSA-N 1 0 242.363 1.448 10 0 BDAERO CC(C)[NH2+]CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000043427131 167103682 /nfs/dbraw/zinc/10/36/82/167103682.db2.gz PYTYPAGUTOLLTC-NWDGAFQWSA-N 1 0 212.337 1.238 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@]2(C1)CCCOC2 ZINC000309422731 167105246 /nfs/dbraw/zinc/10/52/46/167105246.db2.gz BFIUVIGVWKEMDZ-ZDUSSCGKSA-N 1 0 226.364 1.487 10 0 BDAERO CC(C)[NH2+]CCN1C[C@@H](C)O[C@H](C)C1 ZINC000037477246 167106068 /nfs/dbraw/zinc/10/60/68/167106068.db2.gz HDLRUPIMXHLSHU-GHMZBOCLSA-N 1 0 200.326 1.094 10 0 BDAERO CC(C)[NH2+]CCn1nnc2ccccc21 ZINC000052576570 167108593 /nfs/dbraw/zinc/10/85/93/167108593.db2.gz GRZJRNGKBIPEPC-UHFFFAOYSA-N 1 0 204.277 1.429 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)Cn1ncc2ccccc21 ZINC000050525669 167110428 /nfs/dbraw/zinc/11/04/28/167110428.db2.gz PICJQRPLLYJFGJ-GFCCVEGCSA-N 1 0 233.315 1.395 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N1C[C@H](C)OC(C)(C)C1 ZINC000052543382 167113595 /nfs/dbraw/zinc/11/35/95/167113595.db2.gz GIFACDPRDNBKIS-RYUDHWBXSA-N 1 0 228.380 1.872 10 0 BDAERO CC(C)[NH2+]Cc1cnn([C@@H]2CCC[C@@H]2O)c1 ZINC000054599527 167121600 /nfs/dbraw/zinc/12/16/00/167121600.db2.gz MPRQQTSSFZBIOR-NEPJUHHUSA-N 1 0 223.320 1.467 10 0 BDAERO CC(C)[NH2+]Cc1csc(N2CCOCC2)n1 ZINC000062214936 167122032 /nfs/dbraw/zinc/12/20/32/167122032.db2.gz JKILWHOTICNFPO-UHFFFAOYSA-N 1 0 241.360 1.478 10 0 BDAERO CC(C)[NH2+][C@]1(C(N)=O)CCCc2sccc21 ZINC000061329797 167142873 /nfs/dbraw/zinc/14/28/73/167142873.db2.gz MSBMIHGHZFMEOC-GFCCVEGCSA-N 1 0 238.356 1.763 10 0 BDAERO CC(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000051359131 167163745 /nfs/dbraw/zinc/16/37/45/167163745.db2.gz JGXHQCUHSXNFMO-MNOVXSKESA-N 1 0 226.320 1.748 10 0 BDAERO CC(C)OC1=N[C@@H](C[NH3+])CC(OC2CC2)=C1 ZINC000095737954 167175483 /nfs/dbraw/zinc/17/54/83/167175483.db2.gz IGHZWXVRMDATKE-SECBINFHSA-N 1 0 224.304 1.604 10 0 BDAERO CC(C)OCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309343718 167223095 /nfs/dbraw/zinc/22/30/95/167223095.db2.gz LASBLARRMRUEQR-MNOVXSKESA-N 1 0 228.336 1.058 10 0 BDAERO CC(C)OCCCn1c(C[NH3+])nc2cccnc21 ZINC000098128413 167227753 /nfs/dbraw/zinc/22/77/53/167227753.db2.gz WJRFRNPUURGRQE-UHFFFAOYSA-N 1 0 248.330 1.705 10 0 BDAERO CC(C)OCCO[C@H](C)C[NH2+]C[C@H]1CCCO1 ZINC000053556348 167248996 /nfs/dbraw/zinc/24/89/96/167248996.db2.gz BHLBORTWDDLDTG-CHWSQXEVSA-N 1 0 245.363 1.585 10 0 BDAERO CC(C)Oc1cccc([C@@H](O)[C@H](C)[NH3+])c1 ZINC000040641201 167307900 /nfs/dbraw/zinc/30/79/00/167307900.db2.gz OHKYGZFSPGKHSH-CABZTGNLSA-N 1 0 209.289 1.854 10 0 BDAERO CC(C)Oc1cnc(C[NH3+])c(OC2CC2)c1 ZINC000095738224 167312497 /nfs/dbraw/zinc/31/24/97/167312497.db2.gz QYVHHZVUBMWDJS-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)[C@@H](CC[NH3+])C(=O)NCc1ccccc1 ZINC000076616403 167390347 /nfs/dbraw/zinc/39/03/47/167390347.db2.gz FQAIABRBZCLEGG-CYBMUJFWSA-N 1 0 234.343 1.924 10 0 BDAERO CC(C)[C@@H]([NH3+])CS(=O)(=O)c1cccs1 ZINC000075417653 167421706 /nfs/dbraw/zinc/42/17/06/167421706.db2.gz SMSGIRFBCNFSRD-QMMMGPOBSA-N 1 0 233.358 1.505 10 0 BDAERO CC(C)c1cc(N2CC[C@@H]([NH3+])C2)nc(Cl)n1 ZINC000073735201 167573630 /nfs/dbraw/zinc/57/36/30/167573630.db2.gz MHUBJTWNZRMYOY-MRVPVSSYSA-N 1 0 240.738 1.791 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@H]([NH3+])C2CCC2)o1 ZINC000399154121 411021545 /nfs/dbraw/zinc/02/15/45/411021545.db2.gz CHTIOBPCLBGMIM-PSASIEDQSA-N 1 0 237.303 1.288 10 0 BDAERO Cc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)nn1C ZINC000300941448 411128086 /nfs/dbraw/zinc/12/80/86/411128086.db2.gz XXUOJRWEYNSGCE-SECBINFHSA-N 1 0 224.308 1.040 10 0 BDAERO C[C@H]([NH3+])CNc1nc2ccc(F)cc2n1C ZINC000212503247 411147440 /nfs/dbraw/zinc/14/74/40/411147440.db2.gz XSNPZXVGGNZDSD-ZETCQYMHSA-N 1 0 222.267 1.472 10 0 BDAERO CC1(C)[C@H]([NH2+]C2CC(CO)C2)[C@H]2CCCO[C@H]21 ZINC000658356820 411156452 /nfs/dbraw/zinc/15/64/52/411156452.db2.gz PGTQUUGUYXRVJE-RKJHCZSYSA-N 1 0 239.359 1.551 10 0 BDAERO OCC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCCCC1 ZINC000129358436 411248203 /nfs/dbraw/zinc/24/82/03/411248203.db2.gz SEYVGWBPRCZZAE-ZDUSSCGKSA-N 1 0 240.391 1.661 10 0 BDAERO Cc1nccnc1[C@H](C)[NH2+]C1CC(CO)C1 ZINC000658353385 411243874 /nfs/dbraw/zinc/24/38/74/411243874.db2.gz MXRNDXYPCMPVMR-WHXUTIOJSA-N 1 0 221.304 1.207 10 0 BDAERO Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1O ZINC000061882886 411194205 /nfs/dbraw/zinc/19/42/05/411194205.db2.gz IOWVQCMONXRHEW-RYUDHWBXSA-N 1 0 248.326 1.558 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCCSCC1 ZINC000129000083 411196750 /nfs/dbraw/zinc/19/67/50/411196750.db2.gz FIAWQLHQXALVCE-JTQLQIEISA-N 1 0 230.377 1.325 10 0 BDAERO CC(C)NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000214546179 411245444 /nfs/dbraw/zinc/24/54/44/411245444.db2.gz YORMBQRUSBIMQI-SNVBAGLBSA-N 1 0 213.325 1.178 10 0 BDAERO CC[NH+](CC)c1ccc(NCCO)cc1 ZINC000058475980 169804411 /nfs/dbraw/zinc/80/44/11/169804411.db2.gz XNOKRKBHQHOILZ-UHFFFAOYSA-N 1 0 208.305 1.937 10 0 BDAERO CC(C)n1ncc(Br)c1CC[NH3+] ZINC000075845595 167785161 /nfs/dbraw/zinc/78/51/61/167785161.db2.gz LFPXKZAORCKMGL-UHFFFAOYSA-N 1 0 232.125 1.728 10 0 BDAERO C[C@H]1C[N@H+](C)C[C@]1(O)c1cccc(F)c1 ZINC000521401061 411211491 /nfs/dbraw/zinc/21/14/91/411211491.db2.gz FNEGSUOCMQHZAV-JOYOIKCWSA-N 1 0 209.264 1.595 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccsc1 ZINC000129055961 411216770 /nfs/dbraw/zinc/21/67/70/411216770.db2.gz CKYDTDRUTKTZAV-SNVBAGLBSA-N 1 0 226.345 1.738 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000653902137 411217022 /nfs/dbraw/zinc/21/70/22/411217022.db2.gz LKDKNUXAGZXMRA-AAEUAGOBSA-N 1 0 245.363 1.009 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@@H](C)CO1 ZINC000309720227 411218648 /nfs/dbraw/zinc/21/86/48/411218648.db2.gz BOHSOADOUBBOTJ-LOWDOPEQSA-N 1 0 227.348 1.647 10 0 BDAERO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC000658052465 411220043 /nfs/dbraw/zinc/22/00/43/411220043.db2.gz LCBCALWSSZVZQI-MWLCHTKSSA-N 1 0 210.321 1.433 10 0 BDAERO CCC(CC)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000130369050 411220977 /nfs/dbraw/zinc/22/09/77/411220977.db2.gz VBSWSLTVDQAXBC-NSHDSACASA-N 1 0 214.353 1.912 10 0 BDAERO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCNC2=O)CC1 ZINC000658054026 411223472 /nfs/dbraw/zinc/22/34/72/411223472.db2.gz CAHIERIUSPVCND-GHMZBOCLSA-N 1 0 224.348 1.823 10 0 BDAERO CC(C)=CCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000660478095 411231866 /nfs/dbraw/zinc/23/18/66/411231866.db2.gz MKLRIJMUXDXCET-QWRGUYRKSA-N 1 0 210.321 1.599 10 0 BDAERO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cn1 ZINC000129152126 411233049 /nfs/dbraw/zinc/23/30/49/411233049.db2.gz BVNQRMZBCOXVEK-LLVKDONJSA-N 1 0 221.304 1.702 10 0 BDAERO CC[C@@H](NC(=O)[C@]1(COC)CC[NH2+]C1)C(C)C ZINC000310447428 411238205 /nfs/dbraw/zinc/23/82/05/411238205.db2.gz RMALCTQQWZKKSE-DGCLKSJQSA-N 1 0 242.363 1.163 10 0 BDAERO CC(C)N1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000310554743 411241863 /nfs/dbraw/zinc/24/18/63/411241863.db2.gz XVLDWYFGYJRZQI-UONOGXRCSA-N 1 0 240.391 1.564 10 0 BDAERO CC(C)[C@@H](C)n1nnc2c1C[C@H]([NH3+])CC2 ZINC000536958837 411266090 /nfs/dbraw/zinc/26/60/90/411266090.db2.gz INPBLEPSPBKIOA-RKDXNWHRSA-N 1 0 208.309 1.311 10 0 BDAERO CC[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000062901484 411328890 /nfs/dbraw/zinc/32/88/90/411328890.db2.gz CQBUBUQRCRGXNW-JQWIXIFHSA-N 1 0 212.337 1.537 10 0 BDAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccncc1 ZINC000658358170 411286580 /nfs/dbraw/zinc/28/65/80/411286580.db2.gz YFSQROGYLINEGR-GRZMOONWSA-N 1 0 206.289 1.503 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ccc(C(F)(F)F)nn1 ZINC000656608775 411307950 /nfs/dbraw/zinc/30/79/50/411307950.db2.gz MEYXXDXQAGOYFX-UHFFFAOYSA-N 1 0 248.252 1.669 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)[C@H]1C ZINC000658239247 411308086 /nfs/dbraw/zinc/30/80/86/411308086.db2.gz LMAHWQWRDWULMX-XQHKEYJVSA-N 1 0 238.375 1.879 10 0 BDAERO CC(C)Oc1cncc(N2CC3CC2(C[NH3+])C3)n1 ZINC000656610589 411308913 /nfs/dbraw/zinc/30/89/13/411308913.db2.gz GKVOAOPGFAYFCE-UHFFFAOYSA-N 1 0 248.330 1.191 10 0 BDAERO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CCC1 ZINC000658240751 411309033 /nfs/dbraw/zinc/30/90/33/411309033.db2.gz JKDGWMTWSVDNRJ-ZYHUDNBSSA-N 1 0 224.348 1.633 10 0 BDAERO CN1C[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)CC1=O ZINC000658242757 411309038 /nfs/dbraw/zinc/30/90/38/411309038.db2.gz UNOZYGCMXXJMAN-YGRLFVJLSA-N 1 0 236.359 1.633 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C)C2)o1 ZINC000658243634 411310028 /nfs/dbraw/zinc/31/00/28/411310028.db2.gz FCUMDTLCYCCJJS-GHMZBOCLSA-N 1 0 236.315 1.717 10 0 BDAERO OC[C@@H]1CCC[NH+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000309807712 411252773 /nfs/dbraw/zinc/25/27/73/411252773.db2.gz YBTWNPOBWUIYLQ-YNEHKIRRSA-N 1 0 227.348 1.242 10 0 BDAERO C[C@@]1(C(=O)NCC[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000062858117 411326648 /nfs/dbraw/zinc/32/66/48/411326648.db2.gz BPAIRSHXHWCRNG-WCQYABFASA-N 1 0 240.347 1.061 10 0 BDAERO C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@]1(C)C(=O)[O-] ZINC000652480402 411254708 /nfs/dbraw/zinc/25/47/08/411254708.db2.gz DYXFYOWLKIVASA-WCQYABFASA-N 1 0 240.347 1.410 10 0 BDAERO CO[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)C1CCC1 ZINC000660262711 411350145 /nfs/dbraw/zinc/35/01/45/411350145.db2.gz GPVDYNZZXIIWJG-CYZMBNFOSA-N 1 0 227.348 1.959 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)c1nccs1 ZINC000658355962 411353510 /nfs/dbraw/zinc/35/35/10/411353510.db2.gz LAXSSIUUMWTVAM-UEJVZZJDSA-N 1 0 212.318 1.565 10 0 BDAERO CC(C)Oc1cncc(N2CC[NH2+]C[C@@H]2C)n1 ZINC000071176106 411354726 /nfs/dbraw/zinc/35/47/26/411354726.db2.gz PYMNFPZHOHNZFI-JTQLQIEISA-N 1 0 236.319 1.062 10 0 BDAERO CC1(C)[C@H]([NH2+]C2CC(CO)C2)[C@@H]2CCO[C@@H]21 ZINC000658352098 411355305 /nfs/dbraw/zinc/35/53/05/411355305.db2.gz CYSDEIBIROWNEK-KYKAPZLASA-N 1 0 225.332 1.160 10 0 BDAERO CC1(C)C[NH2+]CCN1C(=O)Nc1ccccc1 ZINC000062616368 167967346 /nfs/dbraw/zinc/96/73/46/167967346.db2.gz RANQFHMFKWYULJ-UHFFFAOYSA-N 1 0 233.315 1.902 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1C[C@@H](CC)OC[C@@H]1CC ZINC000403863784 411363408 /nfs/dbraw/zinc/36/34/08/411363408.db2.gz ZYBBVRNOXCQMEP-TUAOUCFPSA-N 1 0 242.363 1.530 10 0 BDAERO CCC(C)(C)[C@@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000659339321 411366702 /nfs/dbraw/zinc/36/67/02/411366702.db2.gz GOFHPKFQYJLMNF-MNOVXSKESA-N 1 0 226.364 1.927 10 0 BDAERO CC1([NH2+]CC(=O)N2CCCCC2)CCCC1 ZINC000042187396 168062949 /nfs/dbraw/zinc/06/29/49/168062949.db2.gz POPLMXLTRJUKCN-UHFFFAOYSA-N 1 0 224.348 1.921 10 0 BDAERO CC(C)(F)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000659361882 411377314 /nfs/dbraw/zinc/37/73/14/411377314.db2.gz SCHQLGFZQOKZNB-NXEZZACHSA-N 1 0 230.327 1.616 10 0 BDAERO CC1CC(=O)N([C@H]2CCCC[C@@H]2[NH3+])C(=O)C1 ZINC000061829068 168139373 /nfs/dbraw/zinc/13/93/73/168139373.db2.gz HSFXRTURQNCZDD-UWVGGRQHSA-N 1 0 224.304 1.041 10 0 BDAERO CC(C)(F)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659357943 411374382 /nfs/dbraw/zinc/37/43/82/411374382.db2.gz DGJQKYGKIRCSMD-VHSXEESVSA-N 1 0 230.327 1.758 10 0 BDAERO CC1CCC(C[NH3+])(OC[C@@H]2CCOC2)CC1 ZINC000050501342 168152746 /nfs/dbraw/zinc/15/27/46/168152746.db2.gz DXWSNWCYTQICRV-OTTFEQOBSA-N 1 0 227.348 1.947 10 0 BDAERO CC1CCC(N(C)[C@@H]2COCC[C@@H]2[NH3+])CC1 ZINC000042487664 168159775 /nfs/dbraw/zinc/15/97/75/168159775.db2.gz TUONTXOLZJYWOC-IFWUJCSASA-N 1 0 226.364 1.613 10 0 BDAERO CC1CC[NH+]([C@@H](CN)[C@@H]2CCOC2)CC1 ZINC000022169901 168186038 /nfs/dbraw/zinc/18/60/38/168186038.db2.gz ZXVWRJRFOMMKNS-NEPJUHHUSA-N 1 0 212.337 1.082 10 0 BDAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C)C1 ZINC000334458299 168190532 /nfs/dbraw/zinc/19/05/32/168190532.db2.gz JTVXCHUOGUZPLL-GFCCVEGCSA-N 1 0 224.348 1.728 10 0 BDAERO CCC(=O)N(CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747710 168212706 /nfs/dbraw/zinc/21/27/06/168212706.db2.gz HBQVHDFSLGAYJJ-ZACCUICWSA-N 1 0 210.321 1.528 10 0 BDAERO C[N@@H+]1CCCC[C@@H](c2ccc(N)nc2)C1 ZINC000616605619 411383133 /nfs/dbraw/zinc/38/31/33/411383133.db2.gz QWOBTQCVYOCMFN-LLVKDONJSA-N 1 0 205.305 1.863 10 0 BDAERO CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052554678 168240663 /nfs/dbraw/zinc/24/06/63/168240663.db2.gz SFQYXVJPIHDNMP-GFCCVEGCSA-N 1 0 220.316 1.816 10 0 BDAERO CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404214977 411383986 /nfs/dbraw/zinc/38/39/86/411383986.db2.gz XXVATLYSKBFTOR-BFHYXJOUSA-N 1 0 240.391 1.731 10 0 BDAERO CCC(C)(C)NC(=O)CO[C@H]1CC[C@H](C)[NH2+]C1 ZINC000050211849 168291417 /nfs/dbraw/zinc/29/14/17/168291417.db2.gz LSTATQGJMXEHNH-QWRGUYRKSA-N 1 0 242.363 1.448 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000034938652 168294926 /nfs/dbraw/zinc/29/49/26/168294926.db2.gz RHBMKVIFKLSGMJ-QWRGUYRKSA-N 1 0 242.363 1.448 10 0 BDAERO CCC(C)(C)O[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000020516139 168304685 /nfs/dbraw/zinc/30/46/85/168304685.db2.gz OTFFBXXNIVGZBK-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO CCC(C)(C)c1nc(CN2CC[NH2+]CC2)no1 ZINC000104054122 168307541 /nfs/dbraw/zinc/30/75/41/168307541.db2.gz OOXPUUMPEOYBIX-UHFFFAOYSA-N 1 0 238.335 1.162 10 0 BDAERO C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000069633412 411456938 /nfs/dbraw/zinc/45/69/38/411456938.db2.gz ORCDJGUYPBOBFY-NXEZZACHSA-N 1 0 228.336 1.140 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@@H]2CCC[C@H](O)C2)n1 ZINC000657324665 411464449 /nfs/dbraw/zinc/46/44/49/411464449.db2.gz ARCFFZPRGXLMJY-ZJUUUORDSA-N 1 0 209.293 1.111 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1=CCCC1 ZINC000659379869 411394109 /nfs/dbraw/zinc/39/41/09/411394109.db2.gz RIXDKHPMLMQLCD-VXGBXAGGSA-N 1 0 222.332 1.588 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2=CCCC2)C1 ZINC000659379952 411394588 /nfs/dbraw/zinc/39/45/88/411394588.db2.gz TWPBOZDLQUCFBZ-QWRGUYRKSA-N 1 0 208.305 1.340 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2=CCCC2)C1 ZINC000659379950 411394615 /nfs/dbraw/zinc/39/46/15/411394615.db2.gz TWPBOZDLQUCFBZ-GHMZBOCLSA-N 1 0 208.305 1.340 10 0 BDAERO CC(C)CC1(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000659380719 411395722 /nfs/dbraw/zinc/39/57/22/411395722.db2.gz BHMKJYFQPRDDGQ-SNVBAGLBSA-N 1 0 210.321 1.291 10 0 BDAERO CCC1(O)CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000659956624 411398923 /nfs/dbraw/zinc/39/89/23/411398923.db2.gz CBTGYLLUBFHIAC-STQMWFEESA-N 1 0 241.375 1.774 10 0 BDAERO C[C@H]1C[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000659343165 411399376 /nfs/dbraw/zinc/39/93/76/411399376.db2.gz MONKAUMNYCARME-LOWDOPEQSA-N 1 0 238.375 1.784 10 0 BDAERO C[C@@H]1CC(CNC(=O)[C@H]2CC[NH2+]C2)C[C@@H](C)C1 ZINC000659343164 411399505 /nfs/dbraw/zinc/39/95/05/411399505.db2.gz MONKAUMNYCARME-GVXVVHGQSA-N 1 0 238.375 1.784 10 0 BDAERO Cc1noc2ncnc(NCCC3(C[NH3+])CC3)c12 ZINC000404626004 411402075 /nfs/dbraw/zinc/40/20/75/411402075.db2.gz BZCWFAOUVJSAOD-UHFFFAOYSA-N 1 0 247.302 1.467 10 0 BDAERO C[NH2+]Cc1ccccc1CNc1nccnc1C ZINC000404632190 411402508 /nfs/dbraw/zinc/40/25/08/411402508.db2.gz GWXYYSNSXMNJJT-UHFFFAOYSA-N 1 0 242.326 1.538 10 0 BDAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)O1 ZINC000659360725 411403202 /nfs/dbraw/zinc/40/32/02/411403202.db2.gz FMPNTHYWJXMOQC-NOOOWODRSA-N 1 0 240.347 1.188 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@]1(C)CC1(C)C ZINC000659379738 411406755 /nfs/dbraw/zinc/40/67/55/411406755.db2.gz NNKBYOCZHRKZAU-OPQQBVKSSA-N 1 0 224.348 1.679 10 0 BDAERO Cc1ocnc1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186534401 411410498 /nfs/dbraw/zinc/41/04/98/411410498.db2.gz IHNFXADGBSBRKE-JTQLQIEISA-N 1 0 249.314 1.340 10 0 BDAERO CCN(CCOC)C(=O)[C@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055139995 169862883 /nfs/dbraw/zinc/86/28/83/169862883.db2.gz JYLHZKHLMJELFT-SRVKXCTJSA-N 1 0 242.363 1.245 10 0 BDAERO CC[C@@H]1CN(c2nc(C)cnc2C)CC[C@@H]1[NH3+] ZINC000123059833 411437319 /nfs/dbraw/zinc/43/73/19/411437319.db2.gz FYSCHELKWQWVDK-NEPJUHHUSA-N 1 0 234.347 1.657 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000216452328 411438166 /nfs/dbraw/zinc/43/81/66/411438166.db2.gz KVNYQYKEIXWBRR-JIMOISOXSA-N 1 0 230.311 1.398 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCC(C)(C)C2CC2)C1 ZINC000406050582 411451095 /nfs/dbraw/zinc/45/10/95/411451095.db2.gz YWEFMMKEAPOIJO-QWHCGFSZSA-N 1 0 241.375 1.894 10 0 BDAERO CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638491148 411468194 /nfs/dbraw/zinc/46/81/94/411468194.db2.gz CRGMNICBFITXDC-YVECIDJPSA-N 1 0 236.359 1.489 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2cnc3n2CCC3)c1 ZINC000657352234 411472751 /nfs/dbraw/zinc/47/27/51/411472751.db2.gz GIWWYQLUGBULTR-UHFFFAOYSA-N 1 0 245.330 1.124 10 0 BDAERO OCC[N@H+](CC1CC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000659858983 411479486 /nfs/dbraw/zinc/47/94/86/411479486.db2.gz WBCNGFGPIKXPBH-CHWSQXEVSA-N 1 0 227.348 1.242 10 0 BDAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2CO)[nH]c1C ZINC000657369646 411483519 /nfs/dbraw/zinc/48/35/19/411483519.db2.gz AUSCJISYQYMKOV-NWDGAFQWSA-N 1 0 237.347 1.667 10 0 BDAERO Cc1c[nH]c(C[NH2+][C@H]2CCCC[C@H]2CO)n1 ZINC000657369727 411483976 /nfs/dbraw/zinc/48/39/76/411483976.db2.gz CVCCVVRRKAKZJJ-QWRGUYRKSA-N 1 0 223.320 1.359 10 0 BDAERO CC[NH+]1CCC(C2=NO[C@H]3NCCCC=C23)CC1 ZINC000038805204 169950876 /nfs/dbraw/zinc/95/08/76/169950876.db2.gz HLBHHROWQDEZGV-CQSZACIVSA-N 1 0 249.358 1.740 10 0 BDAERO CO[C@H](CN1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000659901368 411492838 /nfs/dbraw/zinc/49/28/38/411492838.db2.gz PBYNQXGBMCIHMC-UONOGXRCSA-N 1 0 238.375 1.582 10 0 BDAERO CC[N@@H+]1CCC[C@H](Nc2ccccn2)C1 ZINC000041066813 169977024 /nfs/dbraw/zinc/97/70/24/169977024.db2.gz PIELWTITRBIZFN-NSHDSACASA-N 1 0 205.305 1.978 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNC2N=NC(=S)S2)C1 ZINC000037484476 170009838 /nfs/dbraw/zinc/00/98/38/170009838.db2.gz YASPUYVYPGGNHK-ZETCQYMHSA-N 1 0 244.389 1.581 10 0 BDAERO CCN1CC[C@@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000328352588 170011199 /nfs/dbraw/zinc/01/11/99/170011199.db2.gz NVUWBKPBBKDLBR-WCQYABFASA-N 1 0 226.364 1.485 10 0 BDAERO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000660118784 411539075 /nfs/dbraw/zinc/53/90/75/411539075.db2.gz WUAIWGWELHFQIW-DGAVXFQQSA-N 1 0 241.375 1.630 10 0 BDAERO CCN1C[C@@H](C)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000062608951 170028145 /nfs/dbraw/zinc/02/81/45/170028145.db2.gz BPSDUJJDNVCUMB-OCCSQVGLSA-N 1 0 218.344 1.911 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000336775993 170038422 /nfs/dbraw/zinc/03/84/22/170038422.db2.gz DHVPLZVDJKQNKJ-RWMBFGLXSA-N 1 0 226.364 1.343 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000309959436 170038579 /nfs/dbraw/zinc/03/85/79/170038579.db2.gz KHIXCOIJICXYGL-RVMXOQNASA-N 1 0 226.364 1.484 10 0 BDAERO CC(C)Cc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000657524627 411541985 /nfs/dbraw/zinc/54/19/85/411541985.db2.gz LQQROFWVRDXJJK-CQSZACIVSA-N 1 0 246.354 1.863 10 0 BDAERO CCNC(=O)CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000228330661 170053375 /nfs/dbraw/zinc/05/33/75/170053375.db2.gz FDZHMNIBYGXJOI-GFCCVEGCSA-N 1 0 248.326 1.495 10 0 BDAERO CCNC(=O)COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798791 170068809 /nfs/dbraw/zinc/06/88/09/170068809.db2.gz CGHZNGYJRQBOOD-LLVKDONJSA-N 1 0 234.299 1.148 10 0 BDAERO CCNC(=O)[C@@H](CCC[NH3+])c1cccc(F)c1 ZINC000076620482 170090185 /nfs/dbraw/zinc/09/01/85/170090185.db2.gz VUVUIPSPCMDJDF-LBPRGKRZSA-N 1 0 238.306 1.784 10 0 BDAERO CCNC(=O)[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000083347179 170090648 /nfs/dbraw/zinc/09/06/48/170090648.db2.gz LHYHEGAXIGVAPD-VIFPVBQESA-N 1 0 212.680 1.476 10 0 BDAERO CCNC(=O)[C@H](C[NH3+])Cc1ccc(CC)cc1 ZINC000050303968 170097448 /nfs/dbraw/zinc/09/74/48/170097448.db2.gz HJOZYYRFQRKDTL-ZDUSSCGKSA-N 1 0 234.343 1.503 10 0 BDAERO CCNC(=O)c1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040959 170103403 /nfs/dbraw/zinc/10/34/03/170103403.db2.gz RLRXWDDFMCHWAU-UHFFFAOYSA-N 1 0 247.342 1.600 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCOC[C@H]1C ZINC000061299682 170106981 /nfs/dbraw/zinc/10/69/81/170106981.db2.gz WCGISMFCVOZVMD-SNVBAGLBSA-N 1 0 200.326 1.095 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1cccnc1OC ZINC000061292104 170107090 /nfs/dbraw/zinc/10/70/90/170107090.db2.gz JRXOBWDPVLAGNM-UHFFFAOYSA-N 1 0 237.303 1.417 10 0 BDAERO CC[NH2+]C(C)(C)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000061299588 170107266 /nfs/dbraw/zinc/10/72/66/170107266.db2.gz HHYFVGXBPLVWJD-PHIMTYICSA-N 1 0 214.353 1.484 10 0 BDAERO CC[NH2+]C(C)(C)CN1C[C@@H](C)O[C@H](C)C1 ZINC000061299589 170107470 /nfs/dbraw/zinc/10/74/70/170107470.db2.gz HHYFVGXBPLVWJD-GHMZBOCLSA-N 1 0 214.353 1.484 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000061299105 170107847 /nfs/dbraw/zinc/10/78/47/170107847.db2.gz SHOQHNFTZGOWLZ-VHSXEESVSA-N 1 0 210.321 1.385 10 0 BDAERO CC[NH2+]C1CCC(N2C(=O)C[C@H](C)C2=O)CC1 ZINC000038051977 170108222 /nfs/dbraw/zinc/10/82/22/170108222.db2.gz CCRCUTBKYPCHJP-WHXUTIOJSA-N 1 0 238.331 1.302 10 0 BDAERO CC[NH2+]CC(=O)c1cc(OC)c(OC)cc1C ZINC000107291012 170111125 /nfs/dbraw/zinc/11/11/25/170111125.db2.gz MAOGNFBRMGGDSY-UHFFFAOYSA-N 1 0 237.299 1.804 10 0 BDAERO CC[NH2+]CCC(=O)N[C@H]1CCCc2occc21 ZINC000061298653 170111442 /nfs/dbraw/zinc/11/14/42/170111442.db2.gz IFVOPBZKUJMWDF-NSHDSACASA-N 1 0 236.315 1.773 10 0 BDAERO CC[NH2+]CCC(=O)c1ccc(OC)cc1 ZINC000049813816 170111634 /nfs/dbraw/zinc/11/16/34/170111634.db2.gz LHTRDMDJNKJJBB-UHFFFAOYSA-N 1 0 207.273 1.878 10 0 BDAERO CC[NH2+]CCC(=O)c1ccc(OC)c(N)c1 ZINC000098124746 170111694 /nfs/dbraw/zinc/11/16/94/170111694.db2.gz VAHOXSIFIQFDKM-UHFFFAOYSA-N 1 0 222.288 1.460 10 0 BDAERO CC[NH2+]CCC(=O)N1CCn2c(C)ccc2[C@@H]1C ZINC000061293958 170111863 /nfs/dbraw/zinc/11/18/63/170111863.db2.gz XZFBODQADVOFPN-LBPRGKRZSA-N 1 0 249.358 1.699 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000032015847 170118929 /nfs/dbraw/zinc/11/89/29/170118929.db2.gz HHSLPSURGSUULZ-SNVBAGLBSA-N 1 0 229.707 1.689 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1ccnc(C)n1 ZINC000054937587 170120413 /nfs/dbraw/zinc/12/04/13/170120413.db2.gz RTKBLHXWULESEA-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000053696926 170120471 /nfs/dbraw/zinc/12/04/71/170120471.db2.gz CDXFJCJGAAGAEF-JTQLQIEISA-N 1 0 206.293 1.055 10 0 BDAERO CC[NH2+]C[C@H](O)COc1ccc2c(c1)CCCC2 ZINC000032104648 170121763 /nfs/dbraw/zinc/12/17/63/170121763.db2.gz QKTPXVDETDWYPO-AWEZNQCLSA-N 1 0 249.354 1.915 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N1CCCSCC1 ZINC000061267642 170122212 /nfs/dbraw/zinc/12/22/12/170122212.db2.gz LHSXMTLUQRIDHW-JTQLQIEISA-N 1 0 230.377 1.198 10 0 BDAERO CC[NH2+]C[C@H](O)COCc1cccc(OC)c1 ZINC000036949053 170122222 /nfs/dbraw/zinc/12/22/22/170122222.db2.gz MMATYRPRMSWEGR-LBPRGKRZSA-N 1 0 239.315 1.182 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccccc1OCCOC ZINC000033468679 170122648 /nfs/dbraw/zinc/12/26/48/170122648.db2.gz QTHNGYYVBFBMSP-LBPRGKRZSA-N 1 0 239.315 1.355 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc(OC)c(CC)c1 ZINC000071531111 170122847 /nfs/dbraw/zinc/12/28/47/170122847.db2.gz NFJTYCAKQHSAAD-LBPRGKRZSA-N 1 0 223.316 1.901 10 0 BDAERO CC[NH2+]C[C@H](O)Cn1c(C)nc2ccccc21 ZINC000036950736 170123028 /nfs/dbraw/zinc/12/30/28/170123028.db2.gz HWLJEAWHJRCTMR-NSHDSACASA-N 1 0 233.315 1.315 10 0 BDAERO CC[NH2+]Cc1c(C)cc(C)nc1-n1cncn1 ZINC000051489665 170124751 /nfs/dbraw/zinc/12/47/51/170124751.db2.gz WYSWIBLTSNGENJ-UHFFFAOYSA-N 1 0 231.303 1.389 10 0 BDAERO CC[NH2+]Cc1cc(COc2cccnc2)on1 ZINC000052646502 170125391 /nfs/dbraw/zinc/12/53/91/170125391.db2.gz WKWKLPCOPGWXDQ-UHFFFAOYSA-N 1 0 233.271 1.758 10 0 BDAERO CC[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000013651561 170125780 /nfs/dbraw/zinc/12/57/80/170125780.db2.gz RKZWPMHVJDTAHS-UHFFFAOYSA-N 1 0 211.261 1.519 10 0 BDAERO CC[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000040999634 170130030 /nfs/dbraw/zinc/13/00/30/170130030.db2.gz XBUGISOKSFVKBW-UHFFFAOYSA-N 1 0 220.301 1.710 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1c(C)cccc1C ZINC000054744583 170131867 /nfs/dbraw/zinc/13/18/67/170131867.db2.gz FVACKIZUVMMRLM-UHFFFAOYSA-N 1 0 231.303 1.389 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1ccc(F)c(C)c1 ZINC000061122787 170132076 /nfs/dbraw/zinc/13/20/76/170132076.db2.gz JFAGRLJDOLRIQJ-UHFFFAOYSA-N 1 0 235.266 1.219 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1cccc(C)c1 ZINC000054744481 170132162 /nfs/dbraw/zinc/13/21/62/170132162.db2.gz JNMUWSBWUPDUGK-UHFFFAOYSA-N 1 0 217.276 1.080 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N1CCOCC1(C)C ZINC000061274068 170139037 /nfs/dbraw/zinc/13/90/37/170139037.db2.gz CWDYFUHVDUIGMS-JTQLQIEISA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccncc1 ZINC000061269728 170139078 /nfs/dbraw/zinc/13/90/78/170139078.db2.gz UONXGTUTLQFXHD-NSHDSACASA-N 1 0 235.331 1.428 10 0 BDAERO CC[NH2+][C@@H](C)CC(=O)NC1(CO)CCCCC1 ZINC000061274775 170139457 /nfs/dbraw/zinc/13/94/57/170139457.db2.gz VFAPQSUPQPTDFI-NSHDSACASA-N 1 0 242.363 1.186 10 0 BDAERO CC[NH2+][C@@H](C)Cc1nnc2n1CCCCC2 ZINC000061212762 170139802 /nfs/dbraw/zinc/13/98/02/170139802.db2.gz FFPATYKIFXFJHM-JTQLQIEISA-N 1 0 222.336 1.545 10 0 BDAERO CC[NH2+][C@@H](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000111679554 170140435 /nfs/dbraw/zinc/14/04/35/170140435.db2.gz FXGHLYDXKATYDT-JTQLQIEISA-N 1 0 246.314 1.981 10 0 BDAERO CC[NH2+][C@@H](C)c1cnn([C@H]2CCC[C@@H]2O)c1C ZINC000054599605 170143403 /nfs/dbraw/zinc/14/34/03/170143403.db2.gz FUTTXPYDBCOIBO-XDTLVQLUSA-N 1 0 237.347 1.948 10 0 BDAERO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000660220004 411555057 /nfs/dbraw/zinc/55/50/57/411555057.db2.gz GGJSNVGUYVVHQI-UTUOFQBUSA-N 1 0 213.321 1.257 10 0 BDAERO CC[NH2+][C@@H](CCO)[C@@H]1COc2ccccc2O1 ZINC000095091416 170145028 /nfs/dbraw/zinc/14/50/28/170145028.db2.gz CTHHDISIMLYCNP-GWCFXTLKSA-N 1 0 237.299 1.187 10 0 BDAERO CC[NH2+][C@@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(=O)[O-] ZINC000062524183 170145178 /nfs/dbraw/zinc/14/51/78/170145178.db2.gz CUJNUHJRKLWHEB-RYUDHWBXSA-N 1 0 244.379 1.806 10 0 BDAERO CCN[C@@H](CC[N@H+](C)[C@@H](C)CC(C)C)C(N)=O ZINC000062524136 170145423 /nfs/dbraw/zinc/14/54/23/170145423.db2.gz XAUZPWBAYTVBBY-RYUDHWBXSA-N 1 0 243.395 1.206 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@@H]1OCCCOC ZINC000044107988 170150713 /nfs/dbraw/zinc/15/07/13/170150713.db2.gz TVVFWAHWPQBAEM-MNOVXSKESA-N 1 0 201.310 1.570 10 0 BDAERO CC[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000087862094 170151489 /nfs/dbraw/zinc/15/14/89/170151489.db2.gz TWFSQILUSKMFTK-LLVKDONJSA-N 1 0 243.314 1.649 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@H]1N1CCCCC1 ZINC000043814392 170152693 /nfs/dbraw/zinc/15/26/93/170152693.db2.gz STOSOBZYMKTUAN-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cccc(CC)c2)C1=O ZINC000049647838 170152975 /nfs/dbraw/zinc/15/29/75/170152975.db2.gz LZWWULSRKIHLDR-CYBMUJFWSA-N 1 0 232.327 1.964 10 0 BDAERO CC[NH2+][C@@](C)(CN(C)CC1CCCC1)C(=O)[O-] ZINC000104358269 170154901 /nfs/dbraw/zinc/15/49/01/170154901.db2.gz MPGGLHVVEUBVHD-ZDUSSCGKSA-N 1 0 242.363 1.561 10 0 BDAERO CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C ZINC000043816036 170155243 /nfs/dbraw/zinc/15/52/43/170155243.db2.gz NXDFOHJJGBKOIR-QWHCGFSZSA-N 1 0 204.317 1.824 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCC[C@H]1CCCO ZINC000061274751 170156792 /nfs/dbraw/zinc/15/67/92/170156792.db2.gz HNPGSCJTRQYQSJ-NEPJUHHUSA-N 1 0 242.363 1.138 10 0 BDAERO CC[NH2+][C@H](CC)CN1C(=O)CC(C)(C)CC1=O ZINC000061828140 170161143 /nfs/dbraw/zinc/16/11/43/170161143.db2.gz JXKUYPVTYCTCEX-SNVBAGLBSA-N 1 0 240.347 1.550 10 0 BDAERO CC[NH2+][C@H](CC)[C@H](C)c1nc(CCOC)no1 ZINC000104168150 170161362 /nfs/dbraw/zinc/16/13/62/170161362.db2.gz RZUZQOBNTSMWPB-VHSXEESVSA-N 1 0 241.335 1.750 10 0 BDAERO CCN[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711564 170162422 /nfs/dbraw/zinc/16/24/22/170162422.db2.gz IOFBSRKWXQGENB-SECBINFHSA-N 1 0 218.222 1.713 10 0 BDAERO CC[NH2+][C@H](CCOc1cccc(F)c1)C(N)=O ZINC000062550371 170162530 /nfs/dbraw/zinc/16/25/30/170162530.db2.gz SQPDUIZYFYQBCI-LLVKDONJSA-N 1 0 240.278 1.058 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@@H]1N1CCCOCC1 ZINC000061917860 170165967 /nfs/dbraw/zinc/16/59/67/170165967.db2.gz LLTFYPKGVYQEAF-STQMWFEESA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@H]1CCCc2nc(NC)ncc21 ZINC000050100913 170167146 /nfs/dbraw/zinc/16/71/46/170167146.db2.gz DUCZXTFINNVJSC-VIFPVBQESA-N 1 0 206.293 1.505 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@H]1n1nc(C)nc1C ZINC000044034479 170167189 /nfs/dbraw/zinc/16/71/89/170167189.db2.gz KEPUBYTWISAGIJ-NWDGAFQWSA-N 1 0 222.336 1.988 10 0 BDAERO CC[NH2+][C@H]1CCC[C@@H]1N(C)Cc1nccn1C ZINC000062251430 170167207 /nfs/dbraw/zinc/16/72/07/170167207.db2.gz CLIRIJAGJNZMTJ-RYUDHWBXSA-N 1 0 236.363 1.383 10 0 BDAERO CC[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000087862095 170167310 /nfs/dbraw/zinc/16/73/10/170167310.db2.gz TWFSQILUSKMFTK-NSHDSACASA-N 1 0 243.314 1.649 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000049647708 170168280 /nfs/dbraw/zinc/16/82/80/170168280.db2.gz ULGVHERMNUHVBS-ZDUSSCGKSA-N 1 0 232.327 1.705 10 0 BDAERO CC[NH2+][C@H]1CC[S@](=O)c2c(OC)cccc21 ZINC000041031289 170168478 /nfs/dbraw/zinc/16/84/78/170168478.db2.gz ZBXMILHTVJCBRF-MGPLVRAMSA-N 1 0 239.340 1.857 10 0 BDAERO CC[NH2+][C@H]1CCS(=O)(=O)c2c(C)cccc21 ZINC000037665996 170168538 /nfs/dbraw/zinc/16/85/38/170168538.db2.gz XJFDKSCZCZWSKD-NSHDSACASA-N 1 0 239.340 1.823 10 0 BDAERO CC[NH2+][C@H]1CCN(c2cnn(C)c2)C[C@@H]1C ZINC000049711126 170168589 /nfs/dbraw/zinc/16/85/89/170168589.db2.gz ABXLJONBFDXAJM-JQWIXIFHSA-N 1 0 222.336 1.244 10 0 BDAERO COC[C@H]1CCCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000660292385 411565865 /nfs/dbraw/zinc/56/58/65/411565865.db2.gz IAOJQMWLEKLULZ-YNEHKIRRSA-N 1 0 227.348 1.648 10 0 BDAERO CCOC(=O)C[N@H+](CC)[C@@H]1CCCC[C@@H]1O ZINC000050051282 170217217 /nfs/dbraw/zinc/21/72/17/170217217.db2.gz MQNIJYOPOBTQBR-MNOVXSKESA-N 1 0 229.320 1.175 10 0 BDAERO CCOC(=O)CN1CCCC[C@H]1C[NH2+]C1CC1 ZINC000104417254 170218753 /nfs/dbraw/zinc/21/87/53/170218753.db2.gz RVNMEZOGXGNUGX-LBPRGKRZSA-N 1 0 240.347 1.156 10 0 BDAERO CCOC(=O)CN1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602136 170222151 /nfs/dbraw/zinc/22/21/51/170222151.db2.gz PTSWILSHAHJYSM-YOGCLGLASA-N 1 0 240.347 1.154 10 0 BDAERO CCOC(=O)C[C@H]1[NH2+]CCc2cc(OC)ccc21 ZINC000040435339 170234339 /nfs/dbraw/zinc/23/43/39/170234339.db2.gz KQNPKDQONOBKKA-CYBMUJFWSA-N 1 0 249.310 1.835 10 0 BDAERO CCOC(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000034653692 170237655 /nfs/dbraw/zinc/23/76/55/170237655.db2.gz TVAONPPDDHOGDO-UHFFFAOYSA-N 1 0 208.261 1.738 10 0 BDAERO CCOC(=O)N(CC[NH3+])Cc1cccc(O)c1 ZINC000253576850 170238480 /nfs/dbraw/zinc/23/84/80/170238480.db2.gz WISDADHIMNYNIB-UHFFFAOYSA-N 1 0 238.287 1.309 10 0 BDAERO CCOC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051359112 170239312 /nfs/dbraw/zinc/23/93/12/170239312.db2.gz DQAOUJGPSRMJQM-VHSXEESVSA-N 1 0 212.293 1.359 10 0 BDAERO CCOC(=O)[C@@H]([NH3+])CCn1ncc2ccccc21 ZINC000062538059 170252306 /nfs/dbraw/zinc/25/23/06/170252306.db2.gz IHTZRGUSRXRLMG-NSHDSACASA-N 1 0 247.298 1.317 10 0 BDAERO CCOC(=O)[C@@](C)(N)C[NH+]1CCC(C)(C)CC1 ZINC000061821945 170260667 /nfs/dbraw/zinc/26/06/67/170260667.db2.gz GPEFPLXWTFHYDO-ZDUSSCGKSA-N 1 0 242.363 1.389 10 0 BDAERO CCOC(=O)[C@H](C)N1CC[NH2+]Cc2ccccc21 ZINC000062819065 170266341 /nfs/dbraw/zinc/26/63/41/170266341.db2.gz SVPHUCFJHUAURA-NSHDSACASA-N 1 0 248.326 1.548 10 0 BDAERO CCOC(=O)[C@H](C)NC(=[NH2+])NC1CCCCC1 ZINC000052048381 170267913 /nfs/dbraw/zinc/26/79/13/170267913.db2.gz NJIHQNHBPKLBBH-VIFPVBQESA-N 1 0 241.335 1.385 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])Cc1ccc(F)cc1C ZINC000050568810 170273192 /nfs/dbraw/zinc/27/31/92/170273192.db2.gz IJHPHRPZKYSRMS-NSHDSACASA-N 1 0 239.290 1.815 10 0 BDAERO CCOC(=O)[C@H]([NH3+])CCn1cnc2ccccc21 ZINC000062535506 170275605 /nfs/dbraw/zinc/27/56/05/170275605.db2.gz FDIWSFOOWXGXJQ-SNVBAGLBSA-N 1 0 247.298 1.317 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+][C@@H](c2ccccc2)C1 ZINC000095635256 170282073 /nfs/dbraw/zinc/28/20/73/170282073.db2.gz PBHVLJGBLGLONL-VXGBXAGGSA-N 1 0 219.284 1.900 10 0 BDAERO 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CCOC1CC(C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000336778539 170326027 /nfs/dbraw/zinc/32/60/27/170326027.db2.gz LORRFQOGYVTAEV-IKWCTNDRSA-N 1 0 227.348 1.959 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)cnn1C ZINC000657669442 411574501 /nfs/dbraw/zinc/57/45/01/411574501.db2.gz ZFLUNMGMXQOFPD-MFKMUULPSA-N 1 0 237.347 1.776 10 0 BDAERO CCOCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189677 170340260 /nfs/dbraw/zinc/34/02/60/170340260.db2.gz JBRFVBQHBODZSY-NWDGAFQWSA-N 1 0 240.347 1.156 10 0 BDAERO CCOCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000063189680 170340466 /nfs/dbraw/zinc/34/04/66/170340466.db2.gz JBRFVBQHBODZSY-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO CCOCC(=O)N1CCCC[C@@H]1CC[NH+](C)C ZINC000065288697 170340495 /nfs/dbraw/zinc/34/04/95/170340495.db2.gz WCQOKJLSAODKEP-GFCCVEGCSA-N 1 0 242.363 1.356 10 0 BDAERO CCOCCC[NH2+]Cc1ccc(O)c(OC)c1 ZINC000019962765 170381247 /nfs/dbraw/zinc/38/12/47/170381247.db2.gz YUIWJTZAAVQXIL-UHFFFAOYSA-N 1 0 239.315 1.917 10 0 BDAERO CCOCCC[NH2+]Cc1ccccc1C(N)=O ZINC000020055030 170381891 /nfs/dbraw/zinc/38/18/91/170381891.db2.gz MTPMZDZPMALTBV-UHFFFAOYSA-N 1 0 236.315 1.302 10 0 BDAERO CCOCCN(CC)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000104195602 170393554 /nfs/dbraw/zinc/39/35/54/170393554.db2.gz MPZKBGIWSABZDT-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CCOCCN(CC)c1ccc(C[NH2+]C)cn1 ZINC000104200614 170396205 /nfs/dbraw/zinc/39/62/05/170396205.db2.gz RJOIGDRIZOWCFF-UHFFFAOYSA-N 1 0 237.347 1.664 10 0 BDAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]3COC[C@@H]32)C1 ZINC000660778607 411626887 /nfs/dbraw/zinc/62/68/87/411626887.db2.gz FOYDRSACLMZPFP-SYQHCUMBSA-N 1 0 239.359 1.648 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1nc(C)ns1 ZINC000131815433 411634885 /nfs/dbraw/zinc/63/48/85/411634885.db2.gz LURRJPPOLDRGMX-VDTYLAMSSA-N 1 0 228.321 1.158 10 0 BDAERO CCOCCOC[C@H](O)C[NH2+][C@@H](CC)C(C)C ZINC000042588310 170420152 /nfs/dbraw/zinc/42/01/52/170420152.db2.gz QQSWZWJQOFTPLE-OLZOCXBDSA-N 1 0 247.379 1.425 10 0 BDAERO CC1(C)OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000663371367 411639254 /nfs/dbraw/zinc/63/92/54/411639254.db2.gz RDOCFSQGFJYVCF-QJPTWQEYSA-N 1 0 227.348 1.695 10 0 BDAERO Cc1nc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cs1 ZINC000657694669 411581072 /nfs/dbraw/zinc/58/10/72/411581072.db2.gz OQWWBYKJBRKYJI-VIFPVBQESA-N 1 0 239.344 1.019 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)CS1 ZINC000657696744 411581115 /nfs/dbraw/zinc/58/11/15/411581115.db2.gz LZRWTEJPXMURJM-GMTAPVOTSA-N 1 0 242.388 1.338 10 0 BDAERO CN1C[C@@H](C[NH2+]Cc2ccc(F)cc2)CC1=O ZINC000657695279 411581339 /nfs/dbraw/zinc/58/13/39/411581339.db2.gz XGMPMSUEUMNJEG-LLVKDONJSA-N 1 0 236.290 1.394 10 0 BDAERO COC1(C[NH2+]C[C@@H]2CC(=O)N(C)C2)CCCC1 ZINC000657697076 411581732 /nfs/dbraw/zinc/58/17/32/411581732.db2.gz ZKELGBSXOPGCMI-NSHDSACASA-N 1 0 240.347 1.014 10 0 BDAERO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657698342 411581948 /nfs/dbraw/zinc/58/19/48/411581948.db2.gz VXOAIQOGTGHNBO-MXWKQRLJSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)c1cncc(F)c1 ZINC000657811339 411602626 /nfs/dbraw/zinc/60/26/26/411602626.db2.gz VLZOFGSAWXMNCX-QTZUAFFRSA-N 1 0 224.279 1.642 10 0 BDAERO Cc1nsc(NC(=O)C[C@@H]([NH3+])C(C)C)n1 ZINC000131769135 411618283 /nfs/dbraw/zinc/61/82/83/411618283.db2.gz JFOJAXHZVHDISZ-SSDOTTSWSA-N 1 0 228.321 1.158 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH3+])[C@H]1Oc1ccccc1 ZINC000238853410 170482400 /nfs/dbraw/zinc/48/24/00/170482400.db2.gz JRKQERSGLFDFAY-IJLUTSLNSA-N 1 0 207.273 1.570 10 0 BDAERO C[C@H](O)C[N@H+](C[C@H]1CCC[C@H](O)C1)C1CC1 ZINC000660926188 411677934 /nfs/dbraw/zinc/67/79/34/411677934.db2.gz MPWHCFVHUNJIRA-GVXVVHGQSA-N 1 0 227.348 1.383 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nnc(C)s1 ZINC000630526164 411742738 /nfs/dbraw/zinc/74/27/38/411742738.db2.gz APFAQXPRPGZGKY-JGVFFNPUSA-N 1 0 212.322 1.399 10 0 BDAERO CC[C@@H](C)C[NH2+][C@@H]1CCc2nnc(C)n2C1 ZINC000309721022 170709542 /nfs/dbraw/zinc/70/95/42/170709542.db2.gz WAPQZTORFBEGIW-MWLCHTKSSA-N 1 0 222.336 1.537 10 0 BDAERO CC[N@@H+]1CCCCC[C@H]1c1c[nH]nc1N ZINC000616619900 411857317 /nfs/dbraw/zinc/85/73/17/411857317.db2.gz BACGRUNCNNFYAZ-JTQLQIEISA-N 1 0 208.309 1.929 10 0 BDAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cc(N)n[nH]2)C1 ZINC000616617965 411861108 /nfs/dbraw/zinc/86/11/08/411861108.db2.gz NTQHUVWZHGIUHJ-VIFPVBQESA-N 1 0 222.336 1.970 10 0 BDAERO CCOC(=O)N1CCC[C@H]1c1ccc(N)nc1 ZINC000616607635 411863418 /nfs/dbraw/zinc/86/34/18/411863418.db2.gz WDQJGKZFFSABHK-JTQLQIEISA-N 1 0 235.287 1.957 10 0 BDAERO C[N@@H+]1CCOCC[C@H]1c1ccc(N)nc1 ZINC000616659657 411896520 /nfs/dbraw/zinc/89/65/20/411896520.db2.gz VYZQUEXXWGYVRV-JTQLQIEISA-N 1 0 207.277 1.057 10 0 BDAERO C[N@@H+]1CCO[C@@H](c2ccc(N)nc2)CC1 ZINC000616594116 411896566 /nfs/dbraw/zinc/89/65/66/411896566.db2.gz ONZHQWVTWFEUSJ-SNVBAGLBSA-N 1 0 207.277 1.057 10 0 BDAERO CC[C@@H](C)c1ccc(CC(=O)NCC[NH3+])cc1 ZINC000071545012 170804373 /nfs/dbraw/zinc/80/43/73/170804373.db2.gz CNYFURMOQPHSAE-LLVKDONJSA-N 1 0 234.343 1.818 10 0 BDAERO 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CC[C@@H]([NH3+])CS(=O)(=O)C1CCCCC1 ZINC000058035773 170865716 /nfs/dbraw/zinc/86/57/16/170865716.db2.gz SVSCRIGRQMORNC-SECBINFHSA-N 1 0 219.350 1.471 10 0 BDAERO CC[C@@H]([NH3+])[C@H](O)c1ccc2c(c1)CCO2 ZINC000037362398 170868015 /nfs/dbraw/zinc/86/80/15/170868015.db2.gz GFFIUKTZCXPLGR-ZYHUDNBSSA-N 1 0 207.273 1.392 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)C(C)C ZINC000123433708 170898041 /nfs/dbraw/zinc/89/80/41/170898041.db2.gz WMUBXGGNUPPWSV-CHWSQXEVSA-N 1 0 228.380 1.731 10 0 BDAERO Cc1[nH+]ccc(NC2CC(CO)C2)c1Cl ZINC000664644723 412005489 /nfs/dbraw/zinc/00/54/89/412005489.db2.gz HQCCROGPDGEPPW-UHFFFAOYSA-N 1 0 226.707 1.648 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662146315 412007345 /nfs/dbraw/zinc/00/73/45/412007345.db2.gz RDQMACSQYQMUAU-WOPDTQHZSA-N 1 0 215.337 1.098 10 0 BDAERO CC[C@@H]1CCC[N@@H+]1[C@]1(CN)CN2CCC1CC2 ZINC000037913412 170984597 /nfs/dbraw/zinc/98/45/97/170984597.db2.gz JQDRDRWHIMXZFL-ZIAGYGMSSA-N 1 0 237.391 1.284 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000126626340 171040796 /nfs/dbraw/zinc/04/07/96/171040796.db2.gz CRBZZQBXPQDQQT-ZYHUDNBSSA-N 1 0 224.348 1.681 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)N1CCOCC1 ZINC000309458586 171059191 /nfs/dbraw/zinc/05/91/91/171059191.db2.gz NFLFETIEVCZMHS-JHJVBQTASA-N 1 0 226.364 1.485 10 0 BDAERO CC[C@@H]1CN(C(=O)C2C[C@H]3C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000134114543 171062627 /nfs/dbraw/zinc/06/26/27/171062627.db2.gz MJNVPTVXDYRQSW-VKYHIEHISA-N 1 0 236.359 1.618 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000054290866 171063996 /nfs/dbraw/zinc/06/39/96/171063996.db2.gz BBGSHZOBAKNJGN-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@@H]1CN(CC2([NH3+])CCCCC2)CCO1 ZINC000036770106 171077661 /nfs/dbraw/zinc/07/76/61/171077661.db2.gz RJSRGEFADVKTPV-GFCCVEGCSA-N 1 0 226.364 1.759 10 0 BDAERO CC[C@@H]1CN(CCCF)CC[N@@H+]1C[C@@H](C)O ZINC000128296201 171078873 /nfs/dbraw/zinc/07/88/73/171078873.db2.gz QWCCSUUUBGQFDN-VXGBXAGGSA-N 1 0 232.343 1.123 10 0 BDAERO CC[C@@H]1CN([C@@H]2CCCC[NH2+]C2)CCO1 ZINC000054135050 171093621 /nfs/dbraw/zinc/09/36/21/171093621.db2.gz GXMFFIMABFHHRT-VXGBXAGGSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)CCO1 ZINC000037503418 171095588 /nfs/dbraw/zinc/09/55/88/171095588.db2.gz IYMAOVYJQKYQJN-UTUOFQBUSA-N 1 0 213.321 1.401 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccco1 ZINC000083085091 171102920 /nfs/dbraw/zinc/10/29/20/171102920.db2.gz WIDXLMOZGLJPFK-GHMZBOCLSA-N 1 0 208.305 1.852 10 0 BDAERO CC[C@@H]1COCCN1C1(C[NH3+])CCSCC1 ZINC000042335098 171105722 /nfs/dbraw/zinc/10/57/22/171105722.db2.gz IYXJMASQZXNJBG-LLVKDONJSA-N 1 0 244.404 1.322 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1CC1([NH3+])CCCC1 ZINC000042452153 171110096 /nfs/dbraw/zinc/11/00/96/171110096.db2.gz BINITDQJDBRBDD-NWDGAFQWSA-N 1 0 226.364 1.757 10 0 BDAERO CC[C@@](C)([NH3+])c1nc(C(C)C)cc(=O)[nH]1 ZINC000068577527 171172571 /nfs/dbraw/zinc/17/25/71/171172571.db2.gz IHEDWRBRZOYWPE-LLVKDONJSA-N 1 0 209.293 1.477 10 0 BDAERO CC[C@@](O)(C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000036163956 171194451 /nfs/dbraw/zinc/19/44/51/171194451.db2.gz IROZHNCIPZUDMR-CYBMUJFWSA-N 1 0 237.299 1.404 10 0 BDAERO CC[C@H](C(N)=[NH2+])N1CCOc2ccccc2C1 ZINC000063012819 171220239 /nfs/dbraw/zinc/22/02/39/171220239.db2.gz PGPOFWNZUKJXLI-LLVKDONJSA-N 1 0 233.315 1.596 10 0 BDAERO CC[C@H](C)CN(C)c1c(C[NH2+]C)c(C)nn1C ZINC000037173759 171275419 /nfs/dbraw/zinc/27/54/19/171275419.db2.gz RQIPMNNCQUAWJR-JTQLQIEISA-N 1 0 238.379 1.930 10 0 BDAERO CC[C@H](C)C[N@H+](CC(N)=O)Cc1cccc(N)c1 ZINC000050425181 171275730 /nfs/dbraw/zinc/27/57/30/171275730.db2.gz AWCNTDVUCHVOKB-NSHDSACASA-N 1 0 249.358 1.602 10 0 BDAERO CC[C@H](C)C[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000121230011 171280684 /nfs/dbraw/zinc/28/06/84/171280684.db2.gz PMVDGIPPFVWYGM-STQMWFEESA-N 1 0 228.380 1.421 10 0 BDAERO CC[C@H](C)C[NH2+]Cc1c(OC)ncnc1OC ZINC000054467986 171285749 /nfs/dbraw/zinc/28/57/49/171285749.db2.gz AVRZJUFXIQDLEZ-VIFPVBQESA-N 1 0 239.319 1.630 10 0 BDAERO CC[C@H](C)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037655097 171301658 /nfs/dbraw/zinc/30/16/58/171301658.db2.gz XCDFWENOAXKYCY-WHXUTIOJSA-N 1 0 212.337 1.761 10 0 BDAERO CC[C@H](C)N(C)c1nnc(C)c(C)c1C[NH3+] ZINC000040290381 171310779 /nfs/dbraw/zinc/31/07/79/171310779.db2.gz QOTOHDUOPHNALQ-QMMMGPOBSA-N 1 0 222.336 1.787 10 0 BDAERO CC[C@H](C)N(CC)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037113292 171311703 /nfs/dbraw/zinc/31/17/03/171311703.db2.gz LKWQWDFCKLLJGW-QWRGUYRKSA-N 1 0 212.337 1.776 10 0 BDAERO CC[C@H](C)N(CC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037113298 171311818 /nfs/dbraw/zinc/31/18/18/171311818.db2.gz SLAWCBOSWSXBDP-QWRGUYRKSA-N 1 0 212.337 1.633 10 0 BDAERO CC[C@H](C)N1CC[NH+]=C1Nc1cccnc1 ZINC000013724914 171318897 /nfs/dbraw/zinc/31/88/97/171318897.db2.gz XZVJNRWOPRREQW-JTQLQIEISA-N 1 0 218.304 1.964 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](C)OC1CCC([NH3+])CC1 ZINC000055142875 171335655 /nfs/dbraw/zinc/33/56/55/171335655.db2.gz UHQHIFRMCPVGQG-JYBOHDQNSA-N 1 0 242.363 1.576 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(OC)nc1 ZINC000037394524 171339470 /nfs/dbraw/zinc/33/94/70/171339470.db2.gz OMHIHJWCPUAFRU-VIFPVBQESA-N 1 0 237.303 1.417 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC000037389343 171339513 /nfs/dbraw/zinc/33/95/13/171339513.db2.gz IIWIFTVFQGRTHQ-NSHDSACASA-N 1 0 212.337 1.633 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N(C)CCc1ccncc1 ZINC000048260424 171339566 /nfs/dbraw/zinc/33/95/66/171339566.db2.gz JGYUDSUCZSHCNR-LBPRGKRZSA-N 1 0 249.358 1.471 10 0 BDAERO CC[C@H](C)[NH2+]C[C@@H](C)N(C)Cc1cnn(C)c1 ZINC000053497418 171341536 /nfs/dbraw/zinc/34/15/36/171341536.db2.gz KSGHHVXSZPXFBG-NWDGAFQWSA-N 1 0 238.379 1.629 10 0 BDAERO CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(F)c(F)c1 ZINC000038064879 171344999 /nfs/dbraw/zinc/34/49/99/171344999.db2.gz XQCCYMVGUMHOFH-WRWORJQWSA-N 1 0 242.269 1.879 10 0 BDAERO CC[C@H](C)OC(=O)c1c[nH]c(C2([NH3+])CCC2)n1 ZINC000048265720 171351013 /nfs/dbraw/zinc/35/10/13/171351013.db2.gz DYFNYQLELCKKHC-QMMMGPOBSA-N 1 0 237.303 1.703 10 0 BDAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000123248450 171364352 /nfs/dbraw/zinc/36/43/52/171364352.db2.gz GJVQENXURMJUAM-YNEHKIRRSA-N 1 0 228.380 1.731 10 0 BDAERO CC[C@H](C)[C@@H](C[NH3+])N1CCOC(C)(C)C1 ZINC000036232192 171368269 /nfs/dbraw/zinc/36/82/69/171368269.db2.gz XGFRERHMUAHABB-WDEREUQCSA-N 1 0 214.353 1.471 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(O)c1 ZINC000181987783 171370849 /nfs/dbraw/zinc/37/08/49/171370849.db2.gz INZUBFAEJSWAAX-JOYOIKCWSA-N 1 0 236.315 1.382 10 0 BDAERO CC[C@H](C)[C@H](CN)[N@@H+]1CCCSCC1 ZINC000042443440 171392618 /nfs/dbraw/zinc/39/26/18/171392618.db2.gz MSPKJCIKOXCHEE-QWRGUYRKSA-N 1 0 216.394 1.799 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CC=CCC1 ZINC000045647199 171395167 /nfs/dbraw/zinc/39/51/67/171395167.db2.gz ROJLNDQODFUPAN-SRVKXCTJSA-N 1 0 224.348 1.832 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC000037769569 171396250 /nfs/dbraw/zinc/39/62/50/171396250.db2.gz OMJLLDXAOSKKMG-UFBFGSQYSA-N 1 0 246.314 1.875 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000019842529 171396697 /nfs/dbraw/zinc/39/66/97/171396697.db2.gz JQUVWIIXTIBXJC-CPCISQLKSA-N 1 0 247.298 1.262 10 0 BDAERO CC[C@H](C[NH3+])Sc1nnc2ccccn21 ZINC000061407305 171431090 /nfs/dbraw/zinc/43/10/90/171431090.db2.gz ZMWSPLULTFSDGQ-MRVPVSSYSA-N 1 0 222.317 1.559 10 0 BDAERO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000662351013 412120456 /nfs/dbraw/zinc/12/04/56/412120456.db2.gz KLPDVGNUPXNPSZ-NWDGAFQWSA-N 1 0 248.326 1.624 10 0 BDAERO CC[C@H]([NH3+])Cc1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000037724128 171486543 /nfs/dbraw/zinc/48/65/43/171486543.db2.gz GSRJBJJKCQKVIB-ONGXEEELSA-N 1 0 236.315 1.219 10 0 BDAERO CC[C@H]([NH3+])[C@@H](N1CCS(=O)CC1)C(C)(C)C ZINC000043293889 171488072 /nfs/dbraw/zinc/48/80/72/171488072.db2.gz PMZGHBSMBBFZLL-WDEREUQCSA-N 1 0 246.420 1.203 10 0 BDAERO CC[C@H]([NH3+])c1ccc(OCCC(N)=O)cc1 ZINC000036925667 171490566 /nfs/dbraw/zinc/49/05/66/171490566.db2.gz CFUOEQZUEBTHEG-NSHDSACASA-N 1 0 222.288 1.351 10 0 BDAERO CC[C@H]([NH3+])c1cnn(C[C@@H]2CCCO2)c1 ZINC000054717111 171491857 /nfs/dbraw/zinc/49/18/57/171491857.db2.gz IFKQBYQHTCMBFB-QWRGUYRKSA-N 1 0 209.293 1.472 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000662515813 412201633 /nfs/dbraw/zinc/20/16/33/412201633.db2.gz XYIDBBNAXLPKPZ-DTWKUNHWSA-N 1 0 225.292 1.158 10 0 BDAERO COc1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1C ZINC000662426422 412165226 /nfs/dbraw/zinc/16/52/26/412165226.db2.gz YNGHOUWYDSRALP-NSHDSACASA-N 1 0 248.326 1.567 10 0 BDAERO CO[C@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)C1CCC1 ZINC000662561070 412219009 /nfs/dbraw/zinc/21/90/09/412219009.db2.gz JFUCZDSUGMRMOA-USWWRNFRSA-N 1 0 240.347 1.058 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccn1 ZINC000662606182 412237295 /nfs/dbraw/zinc/23/72/95/412237295.db2.gz PNCPWOPLVMTIAR-IJLUTSLNSA-N 1 0 247.342 1.429 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cscn1 ZINC000662636870 412252364 /nfs/dbraw/zinc/25/23/64/412252364.db2.gz SPXUJQLXSMARRN-IUCAKERBSA-N 1 0 241.360 1.694 10 0 BDAERO CN(CC(C)(C)[NH3+])C(=O)CC(F)(F)F ZINC000662843955 412320232 /nfs/dbraw/zinc/32/02/32/412320232.db2.gz VQDNICXVTXDFLB-UHFFFAOYSA-N 1 0 212.215 1.135 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC(C)(F)F ZINC000662898814 412340248 /nfs/dbraw/zinc/34/02/48/412340248.db2.gz RIPYSSSLDJFNNE-SSDOTTSWSA-N 1 0 208.252 1.131 10 0 BDAERO C[C@]1(C(=O)NC2CC3(CCC3)C2)CCC[NH2+]1 ZINC000662907234 412342061 /nfs/dbraw/zinc/34/20/61/412342061.db2.gz RSHQIVIXVZPKFA-GFCCVEGCSA-N 1 0 222.332 1.577 10 0 BDAERO CC(NC(=O)[C@H]1CCC[NH2+]C1)(C1CC1)C1CC1 ZINC000662915516 412345130 /nfs/dbraw/zinc/34/51/30/412345130.db2.gz NDIKDFKUNYFGQA-JTQLQIEISA-N 1 0 236.359 1.681 10 0 BDAERO CN(C(=O)[C@@H]1CC12CC2)[C@H](C[NH3+])C(F)(F)F ZINC000662985859 412362614 /nfs/dbraw/zinc/36/26/14/412362614.db2.gz CIVINFKIBKOTFJ-NKWVEPMBSA-N 1 0 236.237 1.135 10 0 BDAERO C[C@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)C1CC1 ZINC000662985421 412363192 /nfs/dbraw/zinc/36/31/92/412363192.db2.gz XOWDSBDWTICXCJ-XPUUQOCRSA-N 1 0 238.253 1.381 10 0 BDAERO CCc1c(C)nn(C[C@H]2CC[NH2+]C2)c1C ZINC000051890444 171742029 /nfs/dbraw/zinc/74/20/29/171742029.db2.gz ZVAJEERWIWMYIO-NSHDSACASA-N 1 0 207.321 1.672 10 0 BDAERO CCCc1nccnc1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000663270219 412403392 /nfs/dbraw/zinc/40/33/92/412403392.db2.gz IJHQUEAJJUIIKL-QWRGUYRKSA-N 1 0 234.347 1.603 10 0 BDAERO CCCc1nccnc1N1CCC[C@@H]([NH3+])C1 ZINC000663270841 412403547 /nfs/dbraw/zinc/40/35/47/412403547.db2.gz RTGUTVXCBIHXLW-SNVBAGLBSA-N 1 0 220.320 1.357 10 0 BDAERO CCCc1nccnc1N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000663271216 412403684 /nfs/dbraw/zinc/40/36/84/412403684.db2.gz ZKDOWTBQTWQGKQ-VXGBXAGGSA-N 1 0 248.374 1.993 10 0 BDAERO CCOc1cc(NCC23CC(C2)C[NH2+]3)ncn1 ZINC000663273482 412404242 /nfs/dbraw/zinc/40/42/42/412404242.db2.gz CIZXWJILRMBRNQ-UHFFFAOYSA-N 1 0 234.303 1.039 10 0 BDAERO CCCc1nccnc1N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000663273265 412404305 /nfs/dbraw/zinc/40/43/05/412404305.db2.gz YQOPLEHGUKQTTA-NEPJUHHUSA-N 1 0 248.374 1.993 10 0 BDAERO CCCc1nccnc1NCCC1(C[NH3+])CC1 ZINC000663273847 412404321 /nfs/dbraw/zinc/40/43/21/412404321.db2.gz JVLLKRCFDYWKTD-UHFFFAOYSA-N 1 0 234.347 1.970 10 0 BDAERO CCCc1nccnc1N[C@H](CC[NH3+])C(F)F ZINC000663273575 412404456 /nfs/dbraw/zinc/40/44/56/412404456.db2.gz HJLZNENOJLZKIG-MRVPVSSYSA-N 1 0 244.289 1.824 10 0 BDAERO CCCc1nccnc1N[C@H](C)[C@@H](C)[NH3+] ZINC000663275267 412405105 /nfs/dbraw/zinc/40/51/05/412405105.db2.gz UJLKRFQVCATLCA-RKDXNWHRSA-N 1 0 208.309 1.577 10 0 BDAERO CCc1csc(NCC23CC(C2)C[NH2+]3)n1 ZINC000663275392 412405330 /nfs/dbraw/zinc/40/53/30/412405330.db2.gz HKDSAIHEOPBGBJ-UHFFFAOYSA-N 1 0 223.345 1.869 10 0 BDAERO CCCc1nccnc1N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000663274836 412405454 /nfs/dbraw/zinc/40/54/54/412405454.db2.gz PYTSCNWBFAUISC-NEPJUHHUSA-N 1 0 248.374 1.850 10 0 BDAERO CCCc1nccnc1N[C@H](C)C[NH2+]C ZINC000663277139 412406477 /nfs/dbraw/zinc/40/64/77/412406477.db2.gz KALZHJBZIGYGEJ-SECBINFHSA-N 1 0 208.309 1.449 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ncc(Br)cn1 ZINC000663278850 412407685 /nfs/dbraw/zinc/40/76/85/412407685.db2.gz MUEQYRLGORTKRY-ZCFIWIBFSA-N 1 0 245.124 1.259 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ncncc1Br ZINC000663280304 412408084 /nfs/dbraw/zinc/40/80/84/412408084.db2.gz IFLVPSNMXXUABN-LURJTMIESA-N 1 0 245.124 1.259 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ncccc1Br ZINC000663279206 412408243 /nfs/dbraw/zinc/40/82/43/412408243.db2.gz PVZUTADNFQYSGG-SSDOTTSWSA-N 1 0 244.136 1.864 10 0 BDAERO OCc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000133095949 412409315 /nfs/dbraw/zinc/40/93/15/412409315.db2.gz RXHMWWHFAHHCJN-HUUCEWRRSA-N 1 0 249.354 1.820 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ccccc1S(C)(=O)=O ZINC000663281050 412409469 /nfs/dbraw/zinc/40/94/69/412409469.db2.gz NZPZHMQPEAQXHT-SECBINFHSA-N 1 0 242.344 1.110 10 0 BDAERO CO[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CCCCC1 ZINC000663309476 412413914 /nfs/dbraw/zinc/41/39/14/412413914.db2.gz UPWPXHOHQWZHAR-NEPJUHHUSA-N 1 0 240.347 1.060 10 0 BDAERO CCc1ccc(N(C)C(=O)[C@H](C)[NH2+]C)cc1 ZINC000054076858 171816003 /nfs/dbraw/zinc/81/60/03/171816003.db2.gz DUJJKLPUUIKWDX-JTQLQIEISA-N 1 0 220.316 1.820 10 0 BDAERO CCc1ccc(OC)c(COCC[NH3+])c1 ZINC000057939080 171825217 /nfs/dbraw/zinc/82/52/17/171825217.db2.gz VEKDBKKPKNHUGE-UHFFFAOYSA-N 1 0 209.289 1.733 10 0 BDAERO CCc1ccc([C@@]2(C)C[C@@]2(C[NH3+])CO)s1 ZINC000070501018 171836972 /nfs/dbraw/zinc/83/69/72/171836972.db2.gz OPVDGJBBMHSQAJ-VXGBXAGGSA-N 1 0 225.357 1.909 10 0 BDAERO CCc1cccc2c([C@@H](CO)[NH2+]C)c[nH]c21 ZINC000089204031 171868119 /nfs/dbraw/zinc/86/81/19/171868119.db2.gz QJYPNQDVSOIHFK-GFCCVEGCSA-N 1 0 218.300 1.983 10 0 BDAERO CCc1cccc2c([C@@](C)([NH3+])CO)c[nH]c21 ZINC000089204011 171868419 /nfs/dbraw/zinc/86/84/19/171868419.db2.gz PJUVTPUKENPVGG-ZDUSSCGKSA-N 1 0 218.300 1.897 10 0 BDAERO CCc1nnc([C@@]2([NH3+])CCC[C@@H](C)C2)[nH]1 ZINC000041036531 172004237 /nfs/dbraw/zinc/00/42/37/172004237.db2.gz JWFRFAMUQYOBPG-LDYMZIIASA-N 1 0 208.309 1.731 10 0 BDAERO CCc1nc([C@]2([NH2+]C)CCN(C)C2)sc1C ZINC000061991820 172008972 /nfs/dbraw/zinc/00/89/72/172008972.db2.gz VQRYBWUGPLHHER-LBPRGKRZSA-N 1 0 239.388 1.764 10 0 BDAERO CCc1nnc(N[C@H]2CCC[C@H]2C[NH3+])nc1CC ZINC000097838001 172061517 /nfs/dbraw/zinc/06/15/17/172061517.db2.gz RUAURBJAZGXNBG-CABZTGNLSA-N 1 0 249.362 1.536 10 0 BDAERO CCn1c2ccc([C@@H](C)[NH3+])cc2oc1=O ZINC000051363210 172133821 /nfs/dbraw/zinc/13/38/21/172133821.db2.gz KFOKWSNBZSIXJQ-SSDOTTSWSA-N 1 0 206.245 1.634 10 0 BDAERO CCn1c(C)nnc1C[NH2+]C1(C(C)C)CC1 ZINC000339513973 172139219 /nfs/dbraw/zinc/13/92/19/172139219.db2.gz WSWUCRZBXOXZRN-UHFFFAOYSA-N 1 0 222.336 1.885 10 0 BDAERO CCn1c(C)nnc1[C@]1([NH3+])CCC[C@H](C)C1 ZINC000042029705 172141938 /nfs/dbraw/zinc/14/19/38/172141938.db2.gz ILYJHTOJEWXMDT-CABZTGNLSA-N 1 0 222.336 1.971 10 0 BDAERO CCn1cc(C[C@@H](Cc2ccccn2)[NH2+]C)cn1 ZINC000050542775 172176665 /nfs/dbraw/zinc/17/66/65/172176665.db2.gz LTFQVEMBPVYKIM-AWEZNQCLSA-N 1 0 244.342 1.671 10 0 BDAERO CCn1cc(C[C@]2(C[NH3+])CCCOC2)cn1 ZINC000062193223 172177473 /nfs/dbraw/zinc/17/74/73/172177473.db2.gz IGCLWMYKZDCSTE-LBPRGKRZSA-N 1 0 223.320 1.201 10 0 BDAERO CCn1cc([C@@H](C)N2CCC[C@H]([NH3+])C2)cn1 ZINC000044500947 172192825 /nfs/dbraw/zinc/19/28/25/172192825.db2.gz ATMQWKDATMEZRI-PWSUYJOCSA-N 1 0 222.336 1.387 10 0 BDAERO CCn1cc([C@H](C)N2CCC[NH2+]CC2)cn1 ZINC000044500915 172196357 /nfs/dbraw/zinc/19/63/57/172196357.db2.gz IYLZQYIIKOIVSQ-NSHDSACASA-N 1 0 222.336 1.259 10 0 BDAERO CCn1cccc1C[NH2+]CCOCC(F)F ZINC000234190154 172208284 /nfs/dbraw/zinc/20/82/84/172208284.db2.gz CJJZLHYEJISELB-UHFFFAOYSA-N 1 0 232.274 1.879 10 0 BDAERO CCn1ccnc1N1CCC[C@@H]1C[NH2+]C ZINC000053703916 172225866 /nfs/dbraw/zinc/22/58/66/172225866.db2.gz BMVNCDVESGZLNW-SNVBAGLBSA-N 1 0 208.309 1.091 10 0 BDAERO CCn1cc[nH+]c1NCc1ccnc(OC)c1 ZINC000062054970 172227235 /nfs/dbraw/zinc/22/72/35/172227235.db2.gz VTRMNHRIUKWMDM-UHFFFAOYSA-N 1 0 232.287 1.919 10 0 BDAERO CCn1ncc(CN2CCC[C@H](C[NH3+])C2)c1C ZINC000020315772 172254911 /nfs/dbraw/zinc/25/49/11/172254911.db2.gz GLJONQFMFZLLRZ-GFCCVEGCSA-N 1 0 236.363 1.382 10 0 BDAERO CCn1nccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000162707933 172270383 /nfs/dbraw/zinc/27/03/83/172270383.db2.gz XQUQFFVFHNDBDJ-JQWIXIFHSA-N 1 0 223.320 1.154 10 0 BDAERO CCn1ncnc1C[C@H]([NH3+])c1ccccc1 ZINC000054498913 172284683 /nfs/dbraw/zinc/28/46/83/172284683.db2.gz PNTFCIOPUPQGDS-NSHDSACASA-N 1 0 216.288 1.541 10 0 BDAERO CN(C(=O)C1CCC1)c1ccc(C[NH3+])cc1 ZINC000034653634 172298284 /nfs/dbraw/zinc/29/82/84/172298284.db2.gz XKRVHPKQNPUDGJ-UHFFFAOYSA-N 1 0 218.300 1.908 10 0 BDAERO CN(C(=O)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000037470134 172299274 /nfs/dbraw/zinc/29/92/74/172299274.db2.gz NDENQMSCPMIYHJ-LLVKDONJSA-N 1 0 210.321 1.387 10 0 BDAERO CN(C(=O)C[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000037092983 172312702 /nfs/dbraw/zinc/31/27/02/172312702.db2.gz SMSBRFFZDFIAKH-NSHDSACASA-N 1 0 224.348 1.920 10 0 BDAERO CN(C(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCc2ccccc21 ZINC000036136652 172327455 /nfs/dbraw/zinc/32/74/55/172327455.db2.gz AOYNQOQAEFOCMJ-UONOGXRCSA-N 1 0 244.338 1.884 10 0 BDAERO CN(C)C(=O)CCN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071269088 172359093 /nfs/dbraw/zinc/35/90/93/172359093.db2.gz BLTFIOCVZUHLEA-UHFFFAOYSA-N 1 0 249.289 1.445 10 0 BDAERO CN(C)C(=O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000037117159 172370747 /nfs/dbraw/zinc/37/07/47/172370747.db2.gz LTWITJHMSLDFAT-GFCCVEGCSA-N 1 0 218.300 1.352 10 0 BDAERO CN(C)C(=O)CNc1cnnc2ccccc21 ZINC000104111173 172371102 /nfs/dbraw/zinc/37/11/02/172371102.db2.gz VHTHNVKHPQUADX-UHFFFAOYSA-N 1 0 230.271 1.130 10 0 BDAERO CN(C)C(=O)NC1(C[NH3+])CCCCCC1 ZINC000082642275 172378362 /nfs/dbraw/zinc/37/83/62/172378362.db2.gz VHMFBNAZGPQWLE-UHFFFAOYSA-N 1 0 213.325 1.309 10 0 BDAERO C[NH+](C)C(C)(C)CNC(=O)c1ccc(O)cc1 ZINC000048151887 172395496 /nfs/dbraw/zinc/39/54/96/172395496.db2.gz HVWDWTZXJYPMPR-UHFFFAOYSA-N 1 0 236.315 1.462 10 0 BDAERO C[NH+](C)CCCNC(=O)c1ccc(N)c(F)c1 ZINC000054405197 172440171 /nfs/dbraw/zinc/44/01/71/172440171.db2.gz ABSREBANXRRVSP-UHFFFAOYSA-N 1 0 239.294 1.089 10 0 BDAERO C[NH+](C)CCCOc1cccc(C(N)=S)c1 ZINC000011890567 172444842 /nfs/dbraw/zinc/44/48/42/172444842.db2.gz LELVFKWNLHRSHC-UHFFFAOYSA-N 1 0 238.356 1.651 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000170857943 172527664 /nfs/dbraw/zinc/52/76/64/172527664.db2.gz MAQLCQPTNONMQF-SECBINFHSA-N 1 0 241.722 1.444 10 0 BDAERO CN(C)c1cccc(OCC[C@](C)(O)C[NH3+])c1 ZINC000019668327 172568398 /nfs/dbraw/zinc/56/83/98/172568398.db2.gz GKIKIIABKYWOMV-ZDUSSCGKSA-N 1 0 238.331 1.231 10 0 BDAERO CN(CC(=O)c1cccs1)C[C@H]1CCC[NH2+]1 ZINC000095070997 172619842 /nfs/dbraw/zinc/61/98/42/172619842.db2.gz FGQOWPOBPBXQJO-SNVBAGLBSA-N 1 0 238.356 1.615 10 0 BDAERO CN(CCc1ccccn1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000020260813 172787171 /nfs/dbraw/zinc/78/71/71/172787171.db2.gz FPPZZYDKWREJNE-KBPBESRZSA-N 1 0 233.359 1.826 10 0 BDAERO CN(C[C@H](O)C[NH3+])c1ccc(Cl)cc1 ZINC000001761044 172821639 /nfs/dbraw/zinc/82/16/39/172821639.db2.gz FQSOCXQGDRPDOR-SNVBAGLBSA-N 1 0 214.696 1.096 10 0 BDAERO CN(Cc1cscn1)[C@]1(C[NH3+])CCSC1 ZINC000042863611 172923862 /nfs/dbraw/zinc/92/38/62/172923862.db2.gz MMUJSEKZUINVDM-JTQLQIEISA-N 1 0 243.401 1.409 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CNc1ccncn1 ZINC000044563211 173003812 /nfs/dbraw/zinc/00/38/12/173003812.db2.gz ZLGBLWFPNOOMAA-SNVBAGLBSA-N 1 0 206.293 1.373 10 0 BDAERO CN1CCCC[C@@H]1CNC1=[NH+]CCS1 ZINC000044563787 173004107 /nfs/dbraw/zinc/00/41/07/173004107.db2.gz GTZBDVFGWZDXCH-SECBINFHSA-N 1 0 213.350 1.163 10 0 BDAERO Cn1cccc1C[NH2+]C[C@H]1CCCCN1C ZINC000050596283 173004922 /nfs/dbraw/zinc/00/49/22/173004922.db2.gz DNXABHDQGGSXEM-GFCCVEGCSA-N 1 0 221.348 1.599 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+]Cc1cncs1 ZINC000054788391 173005936 /nfs/dbraw/zinc/00/59/36/173005936.db2.gz BKDZHGIOCHQZDK-SNVBAGLBSA-N 1 0 225.361 1.717 10 0 BDAERO Cn1cc(NC[C@H]2CCCC[N@@H+]2C)ccc1=O ZINC000054243187 173006012 /nfs/dbraw/zinc/00/60/12/173006012.db2.gz YRGWVFSBRRGJEQ-GFCCVEGCSA-N 1 0 235.331 1.282 10 0 BDAERO CN1CCC[N@@H+]([C@H]2CNc3ccccc3C2)CC1 ZINC000037761087 173017846 /nfs/dbraw/zinc/01/78/46/173017846.db2.gz GIGDTRSCJJDWBH-CQSZACIVSA-N 1 0 245.370 1.661 10 0 BDAERO C[N@@H+]1CCC[C@H](CNc2nsnc2Cl)C1 ZINC000044560216 173042000 /nfs/dbraw/zinc/04/20/00/173042000.db2.gz HXJIHEHRBUENPU-SSDOTTSWSA-N 1 0 246.767 1.945 10 0 BDAERO Cn1cc(NC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000054240690 173042270 /nfs/dbraw/zinc/04/22/70/173042270.db2.gz RTOWRLFVWFXBTP-SNVBAGLBSA-N 1 0 208.309 1.174 10 0 BDAERO CN1CCN(C[C@@H]([NH3+])c2ccccc2)C1=O ZINC000052885748 173084534 /nfs/dbraw/zinc/08/45/34/173084534.db2.gz XBQBCWBXMZOWTO-LLVKDONJSA-N 1 0 219.288 1.054 10 0 BDAERO CN1CC[NH2+][C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096984035 173098085 /nfs/dbraw/zinc/09/80/85/173098085.db2.gz ZAGZRTIKWDVQHD-OAHLLOKOSA-N 1 0 245.370 1.166 10 0 BDAERO C[N@@H+]1CCO[C@@H](Cn2ccc3ccccc32)C1 ZINC000034432666 173101945 /nfs/dbraw/zinc/10/19/45/173101945.db2.gz DEAHIWKXNZNZPP-CYBMUJFWSA-N 1 0 230.311 1.972 10 0 BDAERO C[N@@H+]1CC[C@@H](CNCc2ccccn2)C1 ZINC000037484733 173117384 /nfs/dbraw/zinc/11/73/84/173117384.db2.gz RUEJIICDVRSOHE-NSHDSACASA-N 1 0 205.305 1.123 10 0 BDAERO CN(C)C(=O)c1ccccc1N[C@@H]1CC[N@H+](C)C1 ZINC000061988213 173126097 /nfs/dbraw/zinc/12/60/97/173126097.db2.gz YBBRVZIFJMJFEY-LLVKDONJSA-N 1 0 247.342 1.504 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(N)cc1F ZINC000071188414 173143349 /nfs/dbraw/zinc/14/33/49/173143349.db2.gz DPHPDPGBVAJQHO-JTQLQIEISA-N 1 0 237.322 1.796 10 0 BDAERO C[N@@H+]1CC[C@H](CNC2N=NC(=S)S2)C1 ZINC000037485209 173146612 /nfs/dbraw/zinc/14/66/12/173146612.db2.gz CJFQVMNPFFMSLO-ZCFIWIBFSA-N 1 0 230.362 1.190 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2cc3c(cc2N)OCCO3)C1 ZINC000042544871 173155124 /nfs/dbraw/zinc/15/51/24/173155124.db2.gz MNCCVHPUDHZGLQ-VIFPVBQESA-N 1 0 249.314 1.156 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc(CCO)cc2)C1 ZINC000061989485 173155247 /nfs/dbraw/zinc/15/52/47/173155247.db2.gz DTLYUTZDCIUHBJ-ZDUSSCGKSA-N 1 0 220.316 1.337 10 0 BDAERO C[N@@H+]1CC[C@@]2(C1)Cc1ccccc1NC2=O ZINC000096091992 173166638 /nfs/dbraw/zinc/16/66/38/173166638.db2.gz PYTPBVNDYPHIKU-ZDUSSCGKSA-N 1 0 216.284 1.503 10 0 BDAERO C[N@@H+]1CCc2[nH]nc(-c3ccncc3)c2C1 ZINC000082807612 173166709 /nfs/dbraw/zinc/16/67/09/173166709.db2.gz ZSIFRTFOZMWQCX-UHFFFAOYSA-N 1 0 214.272 1.460 10 0 BDAERO C[N@H+]1[C@@H]2CC[C@H]1CC(N)(c1noc(C3CC3)n1)C2 ZINC000036764051 173206539 /nfs/dbraw/zinc/20/65/39/173206539.db2.gz YMOWZVSQLWOAHZ-HWYHXSKPSA-N 1 0 248.330 1.358 10 0 BDAERO CCc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000228336311 487626227 /nfs/dbraw/zinc/62/62/27/487626227.db2.gz AVDOPRVWTNCUSE-SECBINFHSA-N 1 0 236.319 1.300 10 0 BDAERO CNC(=O)CC[C@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000076635856 173263448 /nfs/dbraw/zinc/26/34/48/173263448.db2.gz PRVBIJDAIYUFIU-GFCCVEGCSA-N 1 0 249.358 1.321 10 0 BDAERO CNC(=O)CN(C)[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042966103 173271615 /nfs/dbraw/zinc/27/16/15/173271615.db2.gz UHCQCIZNILFADH-FZMZJTMJSA-N 1 0 249.358 1.061 10 0 BDAERO CNC(=O)C[N@H+](Cc1ccccc1N)C(C)C ZINC000035365750 173273404 /nfs/dbraw/zinc/27/34/04/173273404.db2.gz ZGTWKOFXCOEOOK-UHFFFAOYSA-N 1 0 235.331 1.225 10 0 BDAERO CNC(=O)COc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000019279976 173279322 /nfs/dbraw/zinc/27/93/22/173279322.db2.gz RNAQSMUSAIVQDS-SNVBAGLBSA-N 1 0 236.315 1.091 10 0 BDAERO CNC(=O)COc1ccc2ccccc2c1C[NH3+] ZINC000035630597 173279430 /nfs/dbraw/zinc/27/94/30/173279430.db2.gz DJNNPZIHTNWKNB-UHFFFAOYSA-N 1 0 244.294 1.423 10 0 BDAERO CNC(=O)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000299347804 173281764 /nfs/dbraw/zinc/28/17/64/173281764.db2.gz MUBPSKHCDWAYLW-NSHDSACASA-N 1 0 220.316 1.343 10 0 BDAERO CNC(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000041708874 173292931 /nfs/dbraw/zinc/29/29/31/173292931.db2.gz YEZWBEBQVQBQKK-MRVPVSSYSA-N 1 0 207.277 1.718 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000042213233 173295386 /nfs/dbraw/zinc/29/53/86/173295386.db2.gz DKWUFQPWIFWNAP-GHMZBOCLSA-N 1 0 220.316 1.514 10 0 BDAERO CNC(=O)[C@@H](C)Nc1cc[nH+]c2ccccc12 ZINC000042571511 173295557 /nfs/dbraw/zinc/29/55/57/173295557.db2.gz LSPUTDRUYWETBM-SECBINFHSA-N 1 0 229.283 1.781 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@H](C)c1scnc1C ZINC000042562093 173303525 /nfs/dbraw/zinc/30/35/25/173303525.db2.gz UMQQLFFKSNCZEP-SFYZADRCSA-N 1 0 227.333 1.237 10 0 BDAERO CNC(=O)[C@H]1CCC[N@@H+]1[C@@H](C)c1ccc(N)cc1 ZINC000042391383 173307086 /nfs/dbraw/zinc/30/70/86/173307086.db2.gz JMWUNUOAPQWYRM-GXFFZTMASA-N 1 0 247.342 1.540 10 0 BDAERO CNC(=O)[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(N)c1 ZINC000042391377 173307157 /nfs/dbraw/zinc/30/71/57/173307157.db2.gz OJWSIRFCASDKKU-GXFFZTMASA-N 1 0 247.342 1.540 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(Cc1cccnc1)C(C)C ZINC000061317609 173317551 /nfs/dbraw/zinc/31/75/51/173317551.db2.gz GLTIDVMHGLVVTQ-UHFFFAOYSA-N 1 0 249.358 1.817 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(C)n1 ZINC000061300294 173318153 /nfs/dbraw/zinc/31/81/53/173318153.db2.gz OPFQFHOFPQWWNY-UHFFFAOYSA-N 1 0 207.277 1.327 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC1(C)CCCCC1 ZINC000061319072 173318219 /nfs/dbraw/zinc/31/82/19/173318219.db2.gz SYIBDYCWFYFFDC-UHFFFAOYSA-N 1 0 212.337 1.823 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cc(F)ccc1F ZINC000061300111 173318398 /nfs/dbraw/zinc/31/83/98/173318398.db2.gz NOCPZSZXKQJKMQ-UHFFFAOYSA-N 1 0 228.242 1.901 10 0 BDAERO C[NH2+]C(C)(C)CN1C[C@@H](C)OC[C@H]1C ZINC000061319584 173319052 /nfs/dbraw/zinc/31/90/52/173319052.db2.gz UVDZRTILRVRENR-NXEZZACHSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+]C1CCN([C@@H](C)c2ccc[nH]2)CC1 ZINC000095071522 173323818 /nfs/dbraw/zinc/32/38/18/173323818.db2.gz YMOIIXXKYXCATO-JTQLQIEISA-N 1 0 207.321 1.760 10 0 BDAERO C[NH2+]C1CCN([C@H](C)Cc2ccco2)CC1 ZINC000042590192 173324098 /nfs/dbraw/zinc/32/40/98/173324098.db2.gz JIFSTSIOJBEONV-LLVKDONJSA-N 1 0 222.332 1.894 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000035164974 173326235 /nfs/dbraw/zinc/32/62/35/173326235.db2.gz VFLLVZUXLLUQBQ-WDEREUQCSA-N 1 0 210.321 1.387 10 0 BDAERO C[NH2+]CC(=O)NCCc1cc(C)n(C2CC2)c1C ZINC000077429318 173328503 /nfs/dbraw/zinc/32/85/03/173328503.db2.gz NFVQHRHCOQDZSP-UHFFFAOYSA-N 1 0 249.358 1.318 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(C)nc2ccccc21 ZINC000019510377 173332583 /nfs/dbraw/zinc/33/25/83/173332583.db2.gz CTEWXADKNPJSJL-UHFFFAOYSA-N 1 0 229.283 1.701 10 0 BDAERO C[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000020302301 173333457 /nfs/dbraw/zinc/33/34/57/173333457.db2.gz AAABHNXVQVQLCB-UHFFFAOYSA-N 1 0 216.643 1.637 10 0 BDAERO C[NH2+]CC1(c2ccc3c(c2)OCCO3)CC1 ZINC000053739713 173337380 /nfs/dbraw/zinc/33/73/80/173337380.db2.gz FQIHMUGZZRIVOZ-UHFFFAOYSA-N 1 0 219.284 1.709 10 0 BDAERO C[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000051208337 173338079 /nfs/dbraw/zinc/33/80/79/173338079.db2.gz GADGIAULJMXWDX-UHFFFAOYSA-N 1 0 226.364 1.489 10 0 BDAERO C[NH2+]CCC(=O)c1ccc(OC)c(OC)c1 ZINC000005914154 173342256 /nfs/dbraw/zinc/34/22/56/173342256.db2.gz AVIAPDLSDNAJMK-UHFFFAOYSA-N 1 0 223.272 1.496 10 0 BDAERO C[NH2+]CCCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000038010091 173344793 /nfs/dbraw/zinc/34/47/93/173344793.db2.gz DHPWUHCBJXFKNR-GFCCVEGCSA-N 1 0 248.326 1.106 10 0 BDAERO C[NH2+]CCCC(=O)Nc1ccccc1[C@H](C)O ZINC000049547445 173345547 /nfs/dbraw/zinc/34/55/47/173345547.db2.gz UKJJSHUBNOENCY-JTQLQIEISA-N 1 0 236.315 1.678 10 0 BDAERO C[NH2+]CCCc1ccc(OC)c(NC(C)=O)c1 ZINC000098126146 173350525 /nfs/dbraw/zinc/35/05/25/173350525.db2.gz PMMWRUYCYSMJHI-UHFFFAOYSA-N 1 0 236.315 1.806 10 0 BDAERO C[NH2+]CCOC(=O)Oc1ccc(OC)cc1 ZINC000025967079 173357019 /nfs/dbraw/zinc/35/70/19/173357019.db2.gz KTAGCDXNMSQSLL-UHFFFAOYSA-N 1 0 225.244 1.430 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1cccc(C)c1C ZINC000077373179 173358125 /nfs/dbraw/zinc/35/81/25/173358125.db2.gz RQBFKVIKBOFXRT-CYBMUJFWSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1cccc(F)c1 ZINC000077340132 173358422 /nfs/dbraw/zinc/35/84/22/173358422.db2.gz UMFRFCKINJDMJU-GFCCVEGCSA-N 1 0 226.295 1.232 10 0 BDAERO C[NH2+]C[C@@H](C(C)C)N1CCOC(C)(C)C1 ZINC000052481705 173362182 /nfs/dbraw/zinc/36/21/82/173362182.db2.gz NGUKVVXSUOFERJ-NSHDSACASA-N 1 0 214.353 1.341 10 0 BDAERO C[NH2+]CCc1nnc(-c2ccc(C)c(F)c2)o1 ZINC000050619478 173362234 /nfs/dbraw/zinc/36/22/34/173362234.db2.gz KJRFMRDIRVMZNY-UHFFFAOYSA-N 1 0 235.262 1.946 10 0 BDAERO C[NH2+]CCc1nnc(-c2ccc(F)c(F)c2)o1 ZINC000050619514 173362237 /nfs/dbraw/zinc/36/22/37/173362237.db2.gz QPYQIGHQQSNHKQ-UHFFFAOYSA-N 1 0 239.225 1.777 10 0 BDAERO C[NH2+]C[C@@H](C)Sc1nnc2n1CCCCC2 ZINC000053614993 173364698 /nfs/dbraw/zinc/36/46/98/173364698.db2.gz OTQMYVQYESZVFQ-SECBINFHSA-N 1 0 240.376 1.705 10 0 BDAERO C[NH2+]C[C@@H](C)Sc1nnc(C)s1 ZINC000053622929 173364797 /nfs/dbraw/zinc/36/47/97/173364797.db2.gz ULRVCGBAIZDSQS-RXMQYKEDSA-N 1 0 203.336 1.547 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1ccccc1F ZINC000019865139 173365529 /nfs/dbraw/zinc/36/55/29/173365529.db2.gz XKTRVATUYVRZKT-MRVPVSSYSA-N 1 0 215.293 1.498 10 0 BDAERO C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000019864535 173365691 /nfs/dbraw/zinc/36/56/91/173365691.db2.gz ANVMKOCXBZHKBG-LLVKDONJSA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000019864637 173365798 /nfs/dbraw/zinc/36/57/98/173365798.db2.gz DMDAYLFHCBKCJD-MRVPVSSYSA-N 1 0 215.680 1.299 10 0 BDAERO C[NH2+]C[C@@H](O)c1cccc2cnccc21 ZINC000082913757 173366347 /nfs/dbraw/zinc/36/63/47/173366347.db2.gz OHGFKEZHRLICRC-GFCCVEGCSA-N 1 0 202.257 1.488 10 0 BDAERO C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000032015858 173366474 /nfs/dbraw/zinc/36/64/74/173366474.db2.gz ZSHMDPGVNLYOSQ-SECBINFHSA-N 1 0 230.105 1.702 10 0 BDAERO C[NH2+]C[C@@H](c1ccccc1)N1CCSCC1 ZINC000052443315 173367093 /nfs/dbraw/zinc/36/70/93/173367093.db2.gz KCQBHQBAJVEHOI-ZDUSSCGKSA-N 1 0 236.384 1.996 10 0 BDAERO C[NH2+]C[C@@]1(CN(C)Cc2ccncc2)CCOC1 ZINC000051218222 173373167 /nfs/dbraw/zinc/37/31/67/173373167.db2.gz WQWZQKCAJZJDTR-CQSZACIVSA-N 1 0 249.358 1.140 10 0 BDAERO C[NH2+]C[C@H](C)Cn1nnc(-c2ccccc2)n1 ZINC000052574755 173376025 /nfs/dbraw/zinc/37/60/25/173376025.db2.gz DODVDEOPCFHPCM-JTQLQIEISA-N 1 0 231.303 1.196 10 0 BDAERO C[NH2+]C[C@H](C)Cn1cnc2ccccc21 ZINC000052576539 173376026 /nfs/dbraw/zinc/37/60/26/173376026.db2.gz XCHBBTWXHVXMMM-JTQLQIEISA-N 1 0 203.289 1.892 10 0 BDAERO C[NH2+]C[C@H](C)n1cc(Br)cn1 ZINC000052577600 173376347 /nfs/dbraw/zinc/37/63/47/173376347.db2.gz QZRDNJPHRQYKKS-LURJTMIESA-N 1 0 218.098 1.426 10 0 BDAERO C[NH2+]C[C@H](O)CSc1cccs1 ZINC000019686965 173376465 /nfs/dbraw/zinc/37/64/65/173376465.db2.gz MXPWYMOOMZNTIC-ZETCQYMHSA-N 1 0 203.332 1.421 10 0 BDAERO C[NH2+]C[C@H](O)COc1c(C)cc(Cl)cc1C ZINC000019864815 173376906 /nfs/dbraw/zinc/37/69/06/173376906.db2.gz LVBNSKJBMPKXDV-NSHDSACASA-N 1 0 243.734 1.916 10 0 BDAERO C[NH2+]C[C@H](O)c1cccc(OCC(C)C)c1 ZINC000032014615 173377093 /nfs/dbraw/zinc/37/70/93/173377093.db2.gz HLEHDNZOHJUDRJ-ZDUSSCGKSA-N 1 0 223.316 1.974 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000055027263 173377206 /nfs/dbraw/zinc/37/72/06/173377206.db2.gz YUPMHTVXODILBC-VIFPVBQESA-N 1 0 248.095 1.841 10 0 BDAERO C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000023292472 173377782 /nfs/dbraw/zinc/37/77/82/173377782.db2.gz YUUHACRHCLRCAZ-CYBMUJFWSA-N 1 0 220.316 1.279 10 0 BDAERO C[NH2+]C[C@H]1CCN(Cc2ccc(C)o2)C1 ZINC000053038776 173382292 /nfs/dbraw/zinc/38/22/92/173382292.db2.gz YMZHHROTOHGOIP-LLVKDONJSA-N 1 0 208.305 1.629 10 0 BDAERO C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000238853208 173382837 /nfs/dbraw/zinc/38/28/37/173382837.db2.gz IQFHUMHLRZEQCV-RKDXNWHRSA-N 1 0 229.324 1.275 10 0 BDAERO C[NH2+]C[C@]1(Cc2ccccc2F)CCOC1 ZINC000054663734 173384160 /nfs/dbraw/zinc/38/41/60/173384160.db2.gz CYQRSOCPYQQKKX-CYBMUJFWSA-N 1 0 223.291 1.994 10 0 BDAERO C[NH2+]Cc1cc(C)nc(-c2ccncc2)n1 ZINC000054830977 173386218 /nfs/dbraw/zinc/38/62/18/173386218.db2.gz NAYGZXPIORLUBJ-UHFFFAOYSA-N 1 0 214.272 1.566 10 0 BDAERO C[NH2+]Cc1cc(C(F)(F)F)cnc1OC ZINC000095756633 173386416 /nfs/dbraw/zinc/38/64/16/173386416.db2.gz DSQOJBUBMUFAJR-UHFFFAOYSA-N 1 0 220.194 1.828 10 0 BDAERO C[NH2+]Cc1ccc(N2CCCSCC2)nn1 ZINC000051520822 173388585 /nfs/dbraw/zinc/38/85/85/173388585.db2.gz CIJLZMKTINSWEZ-UHFFFAOYSA-N 1 0 238.360 1.139 10 0 BDAERO C[NH2+]Cc1ccc(O[C@H]2CCC[C@@H]2O)cc1 ZINC000037702047 173389007 /nfs/dbraw/zinc/38/90/07/173389007.db2.gz CNWNNNJHLUHNEX-STQMWFEESA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1ccccc1O[C@H]1CCOC1=O ZINC000037702433 173390105 /nfs/dbraw/zinc/39/01/05/173390105.db2.gz FOGGPIYWJPROHS-NSHDSACASA-N 1 0 221.256 1.100 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)c1ccon1 ZINC000044587153 173390426 /nfs/dbraw/zinc/39/04/26/173390426.db2.gz WKOFWWAQPSSLNZ-UHFFFAOYSA-N 1 0 231.255 1.646 10 0 BDAERO C[NH2+]Cc1ccccc1CN1CCO[C@H](C)C1 ZINC000052382725 173390809 /nfs/dbraw/zinc/39/08/09/173390809.db2.gz NVAUYYPWBNSCJD-GFCCVEGCSA-N 1 0 234.343 1.627 10 0 BDAERO C[NH2+]Cc1ccccc1OCC(=O)NC(C)C ZINC000034658466 173390839 /nfs/dbraw/zinc/39/08/39/173390839.db2.gz UMAFJDUDRRDDKK-UHFFFAOYSA-N 1 0 236.315 1.309 10 0 BDAERO C[NH2+]Cc1ccnc(-n2nc(C)c(C)c2C)c1 ZINC000051493508 173391527 /nfs/dbraw/zinc/39/15/27/173391527.db2.gz ZBECSAZUGQDMNY-UHFFFAOYSA-N 1 0 230.315 1.912 10 0 BDAERO C[NH2+]Cc1cnc(N2CCO[C@H](C)C2)s1 ZINC000054900772 173392080 /nfs/dbraw/zinc/39/20/80/173392080.db2.gz YDOYZFNJECDGGD-MRVPVSSYSA-N 1 0 227.333 1.088 10 0 BDAERO C[NH2+]Cc1cnc(C[C@H]2CCCO2)s1 ZINC000040996561 173392353 /nfs/dbraw/zinc/39/23/53/173392353.db2.gz IDLRNXLOMAFMBC-MRVPVSSYSA-N 1 0 212.318 1.584 10 0 BDAERO C[NH2+]Cc1cnn([C@H]2CCCC[C@@H]2O)c1C ZINC000054600030 173392842 /nfs/dbraw/zinc/39/28/42/173392842.db2.gz RCBRWZGIRBEIAQ-RYUDHWBXSA-N 1 0 223.320 1.387 10 0 BDAERO C[NH2+]Cc1cnn(CC2CCOCC2)c1 ZINC000054719202 173392948 /nfs/dbraw/zinc/39/29/48/173392948.db2.gz AABYHARKDKAKMM-UHFFFAOYSA-N 1 0 209.293 1.029 10 0 BDAERO C[NH2+]Cc1cnn(-c2ccccn2)c1C ZINC000042355583 173393772 /nfs/dbraw/zinc/39/37/72/173393772.db2.gz LDJUUAWBNPXJRU-UHFFFAOYSA-N 1 0 202.261 1.295 10 0 BDAERO C[NH2+]Cc1nc(-c2cccnc2)cs1 ZINC000053294057 173395056 /nfs/dbraw/zinc/39/50/56/173395056.db2.gz GREKHORSSWUFAL-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1ncc(-c2ccn(C)c2)s1 ZINC000071510590 173397510 /nfs/dbraw/zinc/39/75/10/173397510.db2.gz YBGHWZKRFSVSKI-UHFFFAOYSA-N 1 0 207.302 1.868 10 0 BDAERO C[NH2+]Cc1nnnn1-c1ccc(F)cc1Cl ZINC000054744268 173398594 /nfs/dbraw/zinc/39/85/94/173398594.db2.gz HOAKDZAEQCBDBU-UHFFFAOYSA-N 1 0 241.657 1.174 10 0 BDAERO C[NH2+]Cc1occc1Cn1nc(C)nc1C ZINC000052574381 173399827 /nfs/dbraw/zinc/39/98/27/173399827.db2.gz JTOIRDZASYJWDN-UHFFFAOYSA-N 1 0 220.276 1.256 10 0 BDAERO C[NH2+]Cc1occc1Cn1cc(Cl)cn1 ZINC000052577169 173399851 /nfs/dbraw/zinc/39/98/51/173399851.db2.gz XAUDEEJUHSFFDZ-UHFFFAOYSA-N 1 0 225.679 1.897 10 0 BDAERO C[NH2+][C@@H](Cc1cnn(C)c1)c1ccncc1 ZINC000050542629 173426674 /nfs/dbraw/zinc/42/66/74/173426674.db2.gz DKPCCOORARNWFS-LBPRGKRZSA-N 1 0 216.288 1.318 10 0 BDAERO C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2F)C1=O ZINC000049660014 173436261 /nfs/dbraw/zinc/43/62/61/173436261.db2.gz GCGQBTHCMCFJGJ-BXKDBHETSA-N 1 0 236.290 1.707 10 0 BDAERO C[NH2+][C@@H]1CCc2cc3c(cc2C1)OCO3 ZINC000104830957 173438682 /nfs/dbraw/zinc/43/86/82/173438682.db2.gz MTRLJTZQUZHTJI-SNVBAGLBSA-N 1 0 205.257 1.492 10 0 BDAERO C[NH2+][C@H](C)CN(C)c1cccc(OC)c1 ZINC000049969111 173446005 /nfs/dbraw/zinc/44/60/05/173446005.db2.gz ZNTKZYQHFKWKND-SNVBAGLBSA-N 1 0 208.305 1.739 10 0 BDAERO C[NH2+][C@H](C)CN1C[C@@H](C)OC(C)(C)C1 ZINC000045685135 173446088 /nfs/dbraw/zinc/44/60/88/173446088.db2.gz XXOOWCDFQGUWJV-NXEZZACHSA-N 1 0 200.326 1.094 10 0 BDAERO C[NH2+][C@H](C)c1cnc(-c2ncccn2)s1 ZINC000054159513 173450371 /nfs/dbraw/zinc/45/03/71/173450371.db2.gz SZMHMEUQQHZQST-SSDOTTSWSA-N 1 0 220.301 1.881 10 0 BDAERO CC1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000087253418 487626421 /nfs/dbraw/zinc/62/64/21/487626421.db2.gz JQTKDAPDRGRANU-GHMZBOCLSA-N 1 0 224.348 1.620 10 0 BDAERO C[NH2+][C@H](CO)COc1ccc2c(c1)CCCC2 ZINC000071546411 173452676 /nfs/dbraw/zinc/45/26/76/173452676.db2.gz XXEFEYYUCWJQJK-CYBMUJFWSA-N 1 0 235.327 1.525 10 0 BDAERO C[NH2+][C@H](c1ccccc1)C1COCOC1 ZINC000039215609 173458056 /nfs/dbraw/zinc/45/80/56/173458056.db2.gz NTHPWYORYWHALU-GFCCVEGCSA-N 1 0 207.273 1.568 10 0 BDAERO COC(=O)C[C@H](C[NH3+])c1c[nH]c2ccccc21 ZINC000027855504 173635842 /nfs/dbraw/zinc/63/58/42/173635842.db2.gz BBMWZQUMBFFKJB-SECBINFHSA-N 1 0 232.283 1.773 10 0 BDAERO COC(=O)[C@@H](C)Oc1cc(C)ccc1[C@H](C)[NH3+] ZINC000104327713 173693723 /nfs/dbraw/zinc/69/37/23/173693723.db2.gz LJDAIWXJEJBTOJ-VHSXEESVSA-N 1 0 237.299 1.955 10 0 BDAERO COc1cccc(CN2CC[C@H]([NH3+])[C@H]2C)c1F ZINC000383469468 487627494 /nfs/dbraw/zinc/62/74/94/487627494.db2.gz PFDBGOUPGDICNH-KOLCDFICSA-N 1 0 238.306 1.756 10 0 BDAERO COC(=O)[C@H](C)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000300383061 173772510 /nfs/dbraw/zinc/77/25/10/173772510.db2.gz HGPPRMUNBFABJF-UTLUCORTSA-N 1 0 229.320 1.199 10 0 BDAERO COC(=O)[C@H](C)Oc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110958726 173788350 /nfs/dbraw/zinc/78/83/50/173788350.db2.gz LJDAIWXJEJBTOJ-ZJUUUORDSA-N 1 0 237.299 1.955 10 0 BDAERO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000238799726 173798674 /nfs/dbraw/zinc/79/86/74/173798674.db2.gz SIDVGRIVHQRPIH-MWLCHTKSSA-N 1 0 207.273 1.366 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H](c2ccc(OC)cc2)C1 ZINC000044135828 173822563 /nfs/dbraw/zinc/82/25/63/173822563.db2.gz XGBHVYZXKNJOOZ-NWDGAFQWSA-N 1 0 249.310 1.561 10 0 BDAERO COC(=O)c1ccc(C[NH3+])nc1C(C)C ZINC000095347923 173873785 /nfs/dbraw/zinc/87/37/85/173873785.db2.gz YNOFVXYYNFEMNT-UHFFFAOYSA-N 1 0 208.261 1.450 10 0 BDAERO COC1CC([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000336754470 174019094 /nfs/dbraw/zinc/01/90/94/174019094.db2.gz HKAXNIADZYOISG-YYJSSNLHSA-N 1 0 213.321 1.711 10 0 BDAERO COC1CCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000037266007 174029917 /nfs/dbraw/zinc/02/99/17/174029917.db2.gz AMMKDUIFJKJLBN-NSHDSACASA-N 1 0 240.372 1.859 10 0 BDAERO COC1CC[NH+](Cc2cccnc2N)CC1 ZINC000052720151 174030120 /nfs/dbraw/zinc/03/01/20/174030120.db2.gz NNXOTAOAFTVBJZ-UHFFFAOYSA-N 1 0 221.304 1.275 10 0 BDAERO COC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000037491166 174030501 /nfs/dbraw/zinc/03/05/01/174030501.db2.gz TXCHSXWIAQGGME-RYUDHWBXSA-N 1 0 213.321 1.401 10 0 BDAERO COCC(C)(C)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000336709214 174070029 /nfs/dbraw/zinc/07/00/29/174070029.db2.gz MLAQTDREKBPQQH-CYBMUJFWSA-N 1 0 240.391 1.829 10 0 BDAERO COCCC[NH2+]CCOc1ccc(OC)cc1 ZINC000041581899 174247103 /nfs/dbraw/zinc/24/71/03/174247103.db2.gz COFQWUPBRVIATO-UHFFFAOYSA-N 1 0 239.315 1.700 10 0 BDAERO COCCC[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000037757175 174252067 /nfs/dbraw/zinc/25/20/67/174252067.db2.gz VXBLJZVEDPDFHN-UHFFFAOYSA-N 1 0 232.283 1.977 10 0 BDAERO COCCCOC(=O)Nc1cccc(C[NH3+])c1 ZINC000037747612 174252750 /nfs/dbraw/zinc/25/27/50/174252750.db2.gz HBRKJFFSJMTCGX-UHFFFAOYSA-N 1 0 238.287 1.730 10 0 BDAERO COCCCOC[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052597840 174255074 /nfs/dbraw/zinc/25/50/74/174255074.db2.gz INRMUKALSOXXFS-OLZOCXBDSA-N 1 0 245.363 1.585 10 0 BDAERO COCCCO[C@@H]1COc2ccccc2[C@H]1[NH3+] ZINC000037747201 174256261 /nfs/dbraw/zinc/25/62/61/174256261.db2.gz FUALDMVQHFXESA-CHWSQXEVSA-N 1 0 237.299 1.501 10 0 BDAERO COCCCO[C@@H](C[NH3+])c1ccccc1OC ZINC000043100343 174256559 /nfs/dbraw/zinc/25/65/59/174256559.db2.gz VOHCOXDAGVTVGJ-ZDUSSCGKSA-N 1 0 239.315 1.748 10 0 BDAERO COCCCOc1ccnc(C[NH2+]C(C)C)c1 ZINC000051522384 174257720 /nfs/dbraw/zinc/25/77/20/174257720.db2.gz CTDDQFPAZNKTCH-UHFFFAOYSA-N 1 0 238.331 1.995 10 0 BDAERO COCCCOc1cnc(C(C)C)nc1C[NH3+] ZINC000051522320 174258062 /nfs/dbraw/zinc/25/80/62/174258062.db2.gz QKPHNSGWTQYWCG-UHFFFAOYSA-N 1 0 239.319 1.474 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1cc(C)ccc1C ZINC000049670543 174282697 /nfs/dbraw/zinc/28/26/97/174282697.db2.gz ILSQESOBDXIKFD-AWEZNQCLSA-N 1 0 236.359 1.881 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1ccccc1OC ZINC000041280486 174282908 /nfs/dbraw/zinc/28/29/08/174282908.db2.gz PZQDFFWDNCQPKF-LBPRGKRZSA-N 1 0 238.331 1.273 10 0 BDAERO COCCN(C)[C@@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042966997 174282912 /nfs/dbraw/zinc/28/29/12/174282912.db2.gz GSCQXZZOGRFDJA-GXTWGEPZSA-N 1 0 236.359 1.962 10 0 BDAERO COCC[N@H+](CC(C)C)CC(C)(C)O ZINC000042370590 174286799 /nfs/dbraw/zinc/28/67/99/174286799.db2.gz PQKNJQLDWBGQHX-UHFFFAOYSA-N 1 0 203.326 1.362 10 0 BDAERO COCC[N@H+](CC(C)C)C[C@@H](C)C(=O)OC ZINC000042369833 174287205 /nfs/dbraw/zinc/28/72/05/174287205.db2.gz QKCANZUQSPOFIO-LLVKDONJSA-N 1 0 231.336 1.400 10 0 BDAERO COCC[N@@H+](Cc1ccc(C)cc1)C[C@@H](C)O ZINC000036094972 174300101 /nfs/dbraw/zinc/30/01/01/174300101.db2.gz ZOEMJPRBZOCREW-CYBMUJFWSA-N 1 0 237.343 1.824 10 0 BDAERO COCCN(c1cc[nH+]cc1N)[C@@H](C)COC ZINC000042602593 174302862 /nfs/dbraw/zinc/30/28/62/174302862.db2.gz OPTUOHXKDRDMPC-JTQLQIEISA-N 1 0 239.319 1.152 10 0 BDAERO COCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178293580 174307175 /nfs/dbraw/zinc/30/71/75/174307175.db2.gz WCQRXZXNUQWHFR-GFCCVEGCSA-N 1 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COCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000032015843 174333773 /nfs/dbraw/zinc/33/37/73/174333773.db2.gz JKUXIYGJRNZPFI-LLVKDONJSA-N 1 0 229.707 1.609 10 0 BDAERO COCC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037873048 174334511 /nfs/dbraw/zinc/33/45/11/174334511.db2.gz XVDZMSUWIUPPAG-NSHDSACASA-N 1 0 231.242 1.234 10 0 BDAERO COCC[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043476628 174335609 /nfs/dbraw/zinc/33/56/09/174335609.db2.gz IEIFSUDBRQQFDL-UHFFFAOYSA-N 1 0 215.680 1.782 10 0 BDAERO COCCOCCC[NH2+]CC1CCOCC1 ZINC000052175841 174349763 /nfs/dbraw/zinc/34/97/63/174349763.db2.gz SUQKQQXADHWXIT-UHFFFAOYSA-N 1 0 231.336 1.056 10 0 BDAERO COCCOCc1cccc(C(N)=[NH2+])c1 ZINC000019428553 174364737 /nfs/dbraw/zinc/36/47/37/174364737.db2.gz DDONAQFLXSUKIW-UHFFFAOYSA-N 1 0 208.261 1.134 10 0 BDAERO COCCO[C@H](C)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000019398012 174366670 /nfs/dbraw/zinc/36/66/70/174366670.db2.gz RUHFEDZNPHWPDY-MFKMUULPSA-N 1 0 239.315 1.747 10 0 BDAERO COCCO[C@H]1CC[C@@H](C(F)(F)F)C[C@@H]1[NH3+] ZINC000020282257 174366736 /nfs/dbraw/zinc/36/67/36/174366736.db2.gz BTHKLTHNADHFKV-VGMNWLOBSA-N 1 0 241.253 1.708 10 0 BDAERO COCCOc1ccc(C(N)=[NH2+])cc1OC ZINC000019503982 174368033 /nfs/dbraw/zinc/36/80/33/174368033.db2.gz LGZDHJNIMHVQLE-UHFFFAOYSA-N 1 0 224.260 1.004 10 0 BDAERO COCCOc1ccc([C@@H](C)[NH3+])cc1F ZINC000019873402 174369153 /nfs/dbraw/zinc/36/91/53/174369153.db2.gz PTNGWMKLVZKXSR-MRVPVSSYSA-N 1 0 213.252 1.871 10 0 BDAERO COCC[C@@H](C)[NH2+][C@@H](C)Cc1cc(C)n[nH]1 ZINC000090528195 174383994 /nfs/dbraw/zinc/38/39/94/174383994.db2.gz GHRVWKDBSHQNEO-ZJUUUORDSA-N 1 0 225.336 1.664 10 0 BDAERO COCC[C@@H]([NH3+])C(=O)N(C)c1ccccc1C ZINC000052810366 174391844 /nfs/dbraw/zinc/39/18/44/174391844.db2.gz WQXTTYOEOTZTNA-LLVKDONJSA-N 1 0 236.315 1.322 10 0 BDAERO COCC[C@@H]([NH3+])c1nc2cc(F)ccc2[nH]1 ZINC000052785224 174392833 /nfs/dbraw/zinc/39/28/33/174392833.db2.gz DVIQVKGSYADGEF-MRVPVSSYSA-N 1 0 223.251 1.738 10 0 BDAERO COCC[C@@H]([NH3+])c1nc2cc(C)ccc2[nH]1 ZINC000052785207 174393105 /nfs/dbraw/zinc/39/31/05/174393105.db2.gz MRTVYZIROOHKOX-SECBINFHSA-N 1 0 219.288 1.908 10 0 BDAERO COCc1nc(C[C@H]2CCC[NH2+]2)cs1 ZINC000083297848 174642812 /nfs/dbraw/zinc/64/28/12/174642812.db2.gz JWSYACJULRXPRK-MRVPVSSYSA-N 1 0 212.318 1.584 10 0 BDAERO CO[C@@H]1C[NH2+][C@@H](CN2CCCCCCC2)C1 ZINC000040637428 174770250 /nfs/dbraw/zinc/77/02/50/174770250.db2.gz URXCDZVOQZRGNO-OLZOCXBDSA-N 1 0 226.364 1.629 10 0 BDAERO CO[C@H]1C[NH2+]C[C@H]1Nc1ccc(Cl)cn1 ZINC000036268162 174899482 /nfs/dbraw/zinc/89/94/82/174899482.db2.gz DRCMJWVDEUUFEK-BDAKNGLRSA-N 1 0 227.695 1.134 10 0 BDAERO COc1c(F)cc(Cl)cc1CC[NH3+] ZINC000082927035 174931282 /nfs/dbraw/zinc/93/12/82/174931282.db2.gz VBJZYHQZNDNSGA-UHFFFAOYSA-N 1 0 203.644 1.989 10 0 BDAERO COc1cc(-c2noc(CCC[NH3+])n2)ccc1O ZINC000020268736 174940484 /nfs/dbraw/zinc/94/04/84/174940484.db2.gz QFCPGCKYIWCYFC-UHFFFAOYSA-N 1 0 249.270 1.342 10 0 BDAERO COc1cc(C[NH2+][C@@H]2C[C@H]2C)cc(OC)c1O ZINC000052272609 174985298 /nfs/dbraw/zinc/98/52/98/174985298.db2.gz QQCLTDCEGLLDTD-PSASIEDQSA-N 1 0 237.299 1.907 10 0 BDAERO COc1cc(OC)c([C@@H](C)[NH3+])c(OC)c1 ZINC000019967904 175008142 /nfs/dbraw/zinc/00/81/42/175008142.db2.gz KJYGENJQDJPUEK-SSDOTTSWSA-N 1 0 211.261 1.732 10 0 BDAERO COc1cc(OC)cc(OC[C@H](C)C[NH3+])c1 ZINC000036204850 175010601 /nfs/dbraw/zinc/01/06/01/175010601.db2.gz SJYNVEWQMHJUBU-SECBINFHSA-N 1 0 225.288 1.677 10 0 BDAERO COc1cc(OC)cc([C@@]2(F)CC[NH2+]C2)c1 ZINC000163332917 175010972 /nfs/dbraw/zinc/01/09/72/175010972.db2.gz VDOORMXVSYACQL-GFCCVEGCSA-N 1 0 225.263 1.862 10 0 BDAERO COc1cc([C@@H]([NH3+])CO)c(Cl)cc1O ZINC000072198325 175014108 /nfs/dbraw/zinc/01/41/08/175014108.db2.gz OQQWKLZQPLORDG-ZETCQYMHSA-N 1 0 217.652 1.046 10 0 BDAERO COc1cc([C@H](C)[NH2+]CCN(C)C)ccc1O ZINC000022147264 175015731 /nfs/dbraw/zinc/01/57/31/175015731.db2.gz HJQRNVNJMRWCRZ-JTQLQIEISA-N 1 0 238.331 1.613 10 0 BDAERO COc1cc([C@H]2[NH2+]CCS2)ccc1O ZINC000060095389 175017188 /nfs/dbraw/zinc/01/71/88/175017188.db2.gz ARBGBCQCAFWNDH-JTQLQIEISA-N 1 0 211.286 1.736 10 0 BDAERO COc1ccc(-c2cc(C[NH3+])no2)cc1F ZINC000082538856 175031428 /nfs/dbraw/zinc/03/14/28/175031428.db2.gz NQWVBVGAQTVUDG-UHFFFAOYSA-N 1 0 222.219 1.948 10 0 BDAERO COc1ccc(-c2nnc(CC[NH3+])o2)cc1F ZINC000057528364 175041390 /nfs/dbraw/zinc/04/13/90/175041390.db2.gz OCLLLCOAQHOHRF-UHFFFAOYSA-N 1 0 237.234 1.386 10 0 BDAERO COc1ccc(-c2nnc(CCC[NH3+])o2)cc1 ZINC000011585937 175041483 /nfs/dbraw/zinc/04/14/83/175041483.db2.gz AHMVOOPXSSHSIM-UHFFFAOYSA-N 1 0 233.271 1.637 10 0 BDAERO COc1ccc(C(=O)C2CC[NH2+]CC2)c(OC)c1 ZINC000036172025 175052718 /nfs/dbraw/zinc/05/27/18/175052718.db2.gz HBCLQNWZYZDRNJ-UHFFFAOYSA-N 1 0 249.310 1.886 10 0 BDAERO COc1ccc(C(=O)C2CC[NH2+]CC2)c(O)c1 ZINC000039389867 175053140 /nfs/dbraw/zinc/05/31/40/175053140.db2.gz MEKSXLSAYLIUHI-UHFFFAOYSA-N 1 0 235.283 1.583 10 0 in-vitro BDAERO COc1ccc(C(=O)[C@@H](C)[NH3+])c(OC)c1 ZINC000026751276 175064965 /nfs/dbraw/zinc/06/49/65/175064965.db2.gz RFHRDZSOSYEDHE-SSDOTTSWSA-N 1 0 209.245 1.234 10 0 BDAERO COc1ccc(C(=O)[C@@H](C)C[NH3+])c(OC)c1 ZINC000082362692 175065466 /nfs/dbraw/zinc/06/54/66/175065466.db2.gz OIYWDFRCFGSKRS-QMMMGPOBSA-N 1 0 223.272 1.481 10 0 BDAERO COc1ccc(C(C)C)cc1[C@@H]([NH3+])CO ZINC000041218649 175069468 /nfs/dbraw/zinc/06/94/68/175069468.db2.gz XAULHKDXIBWVEQ-NSHDSACASA-N 1 0 209.289 1.811 10 0 BDAERO COc1ccc(C)cc1-c1c[nH]c(N)[nH+]1 ZINC000036157484 175071284 /nfs/dbraw/zinc/07/12/84/175071284.db2.gz UKKCSZRHAIKRNG-UHFFFAOYSA-N 1 0 203.245 1.976 10 0 BDAERO COc1ccc(C)cc1-n1cncc1C[NH3+] ZINC000076646308 175073218 /nfs/dbraw/zinc/07/32/18/175073218.db2.gz QJSYBIZFQDJICP-UHFFFAOYSA-N 1 0 217.272 1.648 10 0 BDAERO COc1ccc(C)cc1CC(=O)[C@@H]1CCC[NH2+]1 ZINC000041260759 175073674 /nfs/dbraw/zinc/07/36/74/175073674.db2.gz ZGMDZFHJQHZWOH-LBPRGKRZSA-N 1 0 233.311 1.867 10 0 BDAERO COc1ccc(C2(C[NH3+])CCC(O)CC2)cc1 ZINC000020443365 175084083 /nfs/dbraw/zinc/08/40/83/175084083.db2.gz HCAQIYLQKICPTP-UHFFFAOYSA-N 1 0 235.327 1.827 10 0 BDAERO COc1ccc(CC2(C[NH3+])CC2)cc1OC ZINC000071523007 175088159 /nfs/dbraw/zinc/08/81/59/175088159.db2.gz LFFIMQJMNNEOJP-UHFFFAOYSA-N 1 0 221.300 1.985 10 0 BDAERO COc1ccc(CC[NH2+]CC(C)(C)O)cc1C ZINC000098126257 175091366 /nfs/dbraw/zinc/09/13/66/175091366.db2.gz YETZLQZRNOPMEG-UHFFFAOYSA-N 1 0 237.343 1.907 10 0 BDAERO COc1ccc(CC[NH2+][C@@H](C)CO)cc1 ZINC000083827298 175091620 /nfs/dbraw/zinc/09/16/20/175091620.db2.gz VWSGJDCSCXTUHX-JTQLQIEISA-N 1 0 209.289 1.208 10 0 BDAERO COc1ccc(CC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000027520822 175092989 /nfs/dbraw/zinc/09/29/89/175092989.db2.gz PHGBFCDHMAOENY-CYBMUJFWSA-N 1 0 237.343 1.987 10 0 BDAERO COc1ccc(COCCCC[NH3+])cc1 ZINC000019965631 175113521 /nfs/dbraw/zinc/11/35/21/175113521.db2.gz FWQIANWRQRKNAW-UHFFFAOYSA-N 1 0 209.289 1.951 10 0 BDAERO COc1ccc(COC(=O)CC[NH3+])cc1C ZINC000049819256 175113686 /nfs/dbraw/zinc/11/36/86/175113686.db2.gz QULUBVKJMSHWFU-UHFFFAOYSA-N 1 0 223.272 1.396 10 0 BDAERO COc1ccc(C[C@H]([NH3+])c2cnn(C)c2)cc1 ZINC000034957713 175117204 /nfs/dbraw/zinc/11/72/04/175117204.db2.gz ZKJQNMBBYPQCMF-ZDUSSCGKSA-N 1 0 231.299 1.671 10 0 BDAERO COc1ccc(Cl)c(NC(=O)[C@@H](C)[NH3+])c1 ZINC000043318563 175118694 /nfs/dbraw/zinc/11/86/94/175118694.db2.gz YPTIDDVWGUNDCG-ZCFIWIBFSA-N 1 0 228.679 1.634 10 0 BDAERO COc1ccc(Cl)cc1C[C@@H](O)C[NH3+] ZINC000041228671 175121108 /nfs/dbraw/zinc/12/11/08/175121108.db2.gz LIZODXDBDZFHQI-SECBINFHSA-N 1 0 215.680 1.211 10 0 BDAERO COc1ccc(Cl)cc1[C@H]1C[NH2+]CO1 ZINC000082533884 175122629 /nfs/dbraw/zinc/12/26/29/175122629.db2.gz RQNQINIRGPAGFG-SNVBAGLBSA-N 1 0 213.664 1.967 10 0 BDAERO COc1ccc(OC)c(-c2nc(C[NH3+])co2)c1 ZINC000082547372 175163942 /nfs/dbraw/zinc/16/39/42/175163942.db2.gz KRLRBKXEDNWRSN-UHFFFAOYSA-N 1 0 234.255 1.818 10 0 BDAERO COc1ccc(OC)c(C2([NH3+])CCOCC2)c1 ZINC000063077099 175164558 /nfs/dbraw/zinc/16/45/58/175164558.db2.gz GNWRPMNNFBORTQ-UHFFFAOYSA-N 1 0 237.299 1.668 10 0 BDAERO COc1ccc(OC)c(C[C@@H](C[NH3+])N(C)C)c1 ZINC000041280504 175166546 /nfs/dbraw/zinc/16/65/46/175166546.db2.gz QSIUVUUKTDZPDG-NSHDSACASA-N 1 0 238.331 1.135 10 0 BDAERO COc1ccc(OC)c(NCC[NH+](C)C)c1 ZINC000020046545 175167370 /nfs/dbraw/zinc/16/73/70/175167370.db2.gz FWAIBRHWMBTDCY-UHFFFAOYSA-N 1 0 224.304 1.677 10 0 BDAERO COc1ccc(OC)c([C@@](O)(C[NH3+])C(C)C)c1 ZINC000033468704 175168004 /nfs/dbraw/zinc/16/80/04/175168004.db2.gz VISZHTMAFJHIJQ-CYBMUJFWSA-N 1 0 239.315 1.506 10 0 BDAERO COc1ccc(OC)c([C@H](O)[C@@H]2CCC[NH2+]2)c1 ZINC000033466032 175168799 /nfs/dbraw/zinc/16/87/99/175168799.db2.gz HMRCSDPLBKIIFV-AAEUAGOBSA-N 1 0 237.299 1.489 10 0 BDAERO COc1ccc(OC)c([C@H]2C[NH2+]CCCO2)c1 ZINC000035598792 175168882 /nfs/dbraw/zinc/16/88/82/175168882.db2.gz GKMNIIMCAMOEGH-CYBMUJFWSA-N 1 0 237.299 1.755 10 0 BDAERO COc1ccc(OC)c2c1CC[C@H]1[NH2+]CCO[C@@H]21 ZINC000005054932 175170929 /nfs/dbraw/zinc/17/09/29/175170929.db2.gz IWIOMGBNNCSSIO-QMTHXVAHSA-N 1 0 249.310 1.680 10 0 BDAERO COc1ccc(SC[C@@H](O)C[NH3+])c(OC)c1 ZINC000019686780 175175069 /nfs/dbraw/zinc/17/50/69/175175069.db2.gz MIFAFBXQIOOQEO-QMMMGPOBSA-N 1 0 243.328 1.116 10 0 BDAERO COc1ccc([C@@H](N)C[NH3+])c2ccccc12 ZINC000044469133 175179929 /nfs/dbraw/zinc/17/99/29/175179929.db2.gz MMZIAMBOTSFTCK-LBPRGKRZSA-N 1 0 216.284 1.807 10 0 BDAERO COc1ccc([C@@H]([C@H](C)[NH3+])N(C)C)cc1 ZINC000042960475 175182040 /nfs/dbraw/zinc/18/20/40/175182040.db2.gz LDYNNRVMIGQPSS-JOYOIKCWSA-N 1 0 208.305 1.645 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CCCO2)cc1 ZINC000035598807 175183585 /nfs/dbraw/zinc/18/35/85/175183585.db2.gz MUWWUNLPZIXDMN-LBPRGKRZSA-N 1 0 207.273 1.746 10 0 BDAERO COc1ccc([C@@](C)(O)CC[NH3+])cc1OC ZINC000071532328 175186589 /nfs/dbraw/zinc/18/65/89/175186589.db2.gz LGLCAIBXLUMESS-LBPRGKRZSA-N 1 0 225.288 1.260 10 0 BDAERO COc1ccc([C@H]([NH3+])Cn2ccnc2C)cc1 ZINC000038808944 175191708 /nfs/dbraw/zinc/19/17/08/175191708.db2.gz HFIZXPFMMUMEOK-CYBMUJFWSA-N 1 0 231.299 1.900 10 0 BDAERO COc1ccc([C@H](O)C[NH3+])cc1Cl ZINC000034183942 175193469 /nfs/dbraw/zinc/19/34/69/175193469.db2.gz FNZGVRAIYSDTRZ-MRVPVSSYSA-N 1 0 201.653 1.341 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CO2)cc1Cl ZINC000082533882 175196700 /nfs/dbraw/zinc/19/67/00/175196700.db2.gz PXOJQNVLKVJWAY-SNVBAGLBSA-N 1 0 213.664 1.967 10 0 BDAERO COc1ccc([C@H]2C[C@@H](C[NH3+])OC2=O)cc1 ZINC000013451207 175197237 /nfs/dbraw/zinc/19/72/37/175197237.db2.gz ZQPKBRYJALEZGX-WDEREUQCSA-N 1 0 221.256 1.053 10 0 BDAERO COc1ccc([C@H]2C[C@H](C)[N@H+](CCO)C2)cc1 ZINC000083110025 175197622 /nfs/dbraw/zinc/19/76/22/175197622.db2.gz OGZABVBMRSIQQQ-AAEUAGOBSA-N 1 0 235.327 1.865 10 0 BDAERO COc1ccc([C@H]2C[C@@H]2[NH3+])c(OC)c1OC ZINC000037381592 175198154 /nfs/dbraw/zinc/19/81/54/175198154.db2.gz APGMXKAKJSUGRK-BDAKNGLRSA-N 1 0 223.272 1.527 10 0 BDAERO COc1ccc([C@](C)([NH3+])CN(C)C)cc1 ZINC000035619743 175199725 /nfs/dbraw/zinc/19/97/25/175199725.db2.gz UJTISQDEUODREI-GFCCVEGCSA-N 1 0 208.305 1.431 10 0 BDAERO COc1ccc2[nH]cc([C@H](O)[C@@H]3CCC[NH2+]3)c2c1 ZINC000041297529 175202840 /nfs/dbraw/zinc/20/28/40/175202840.db2.gz ADOBIKSMUNLRNC-KBPBESRZSA-N 1 0 246.310 1.962 10 0 BDAERO COc1ccc2[nH]cc([C@H]3C[C@H]3[NH3+])c2c1 ZINC000013782229 175203094 /nfs/dbraw/zinc/20/30/94/175203094.db2.gz QAYBFLBZFYNCJH-LDYMZIIASA-N 1 0 202.257 1.991 10 0 BDAERO COc1ccc2c(c1)C1(CN2)CC[NH2+]CC1 ZINC000079032903 175206491 /nfs/dbraw/zinc/20/64/91/175206491.db2.gz ZLEZPHYAAPOMFB-UHFFFAOYSA-N 1 0 218.300 1.742 10 0 BDAERO COc1ccc2c(c1OC)C[NH2+][C@@H](C)C2 ZINC000070622357 175222568 /nfs/dbraw/zinc/22/25/68/175222568.db2.gz YACZCJYTOVQMDA-QMMMGPOBSA-N 1 0 207.273 1.738 10 0 BDAERO COc1ccc2cc([C@](C)([NH3+])C(N)=O)ccc2c1 ZINC000037514967 175225986 /nfs/dbraw/zinc/22/59/86/175225986.db2.gz RSRNMROUTJZQOD-AWEZNQCLSA-N 1 0 244.294 1.508 10 0 BDAERO COc1ccc2ncn(C3CC[NH2+]CC3)c2c1 ZINC000044135700 175230463 /nfs/dbraw/zinc/23/04/63/175230463.db2.gz URKUXGFIOXGKJX-UHFFFAOYSA-N 1 0 231.299 1.969 10 0 BDAERO COc1cccc(CCN(C)CC[NH3+])c1 ZINC000049814320 175252069 /nfs/dbraw/zinc/25/20/69/175252069.db2.gz VLGJWHAGKIAVCU-UHFFFAOYSA-N 1 0 208.305 1.128 10 0 BDAERO COc1cccc(COC(=O)[C@H]2C[NH2+]C[C@H]2C)c1 ZINC000104220444 175269710 /nfs/dbraw/zinc/26/97/10/175269710.db2.gz HPYUXVYQOQXWQK-MFKMUULPSA-N 1 0 249.310 1.594 10 0 BDAERO COc1cccc(COCCC(N)=[NH2+])c1 ZINC000019423742 175270171 /nfs/dbraw/zinc/27/01/71/175270171.db2.gz MHKURDABOWVQHS-UHFFFAOYSA-N 1 0 208.261 1.538 10 0 BDAERO COc1cccc(C[C@H]2COCC[C@H]2[NH3+])c1 ZINC000082364305 175272152 /nfs/dbraw/zinc/27/21/52/175272152.db2.gz FMKAPMRWZGQWES-WCQYABFASA-N 1 0 221.300 1.602 10 0 BDAERO COc1cccc(N(CCC[NH3+])C(C)=O)c1 ZINC000020233621 175275491 /nfs/dbraw/zinc/27/54/91/175275491.db2.gz RRJPGVSMYNIUDZ-UHFFFAOYSA-N 1 0 222.288 1.397 10 0 BDAERO COc1cccc(N2CCC[C@H]2CCC[NH3+])n1 ZINC000104303496 175275549 /nfs/dbraw/zinc/27/55/49/175275549.db2.gz PSQRFLGCKFSDCH-LLVKDONJSA-N 1 0 235.331 1.798 10 0 BDAERO COc1cccc(NCCN2CC[NH+](C)CC2)c1 ZINC000041304604 175278549 /nfs/dbraw/zinc/27/85/49/175278549.db2.gz HPWBAUPKXXBMQV-UHFFFAOYSA-N 1 0 249.358 1.355 10 0 BDAERO COc1cccc(OC)c1O[C@H](C)C[NH3+] ZINC000011946545 175282853 /nfs/dbraw/zinc/28/28/53/175282853.db2.gz MWVUHMBCADDENS-MRVPVSSYSA-N 1 0 211.261 1.430 10 0 BDAERO COc1cccc([C@@H](C[NH3+])NC(C)C)c1OC ZINC000050270855 175287445 /nfs/dbraw/zinc/28/74/45/175287445.db2.gz VCJODOQNZSITSE-LLVKDONJSA-N 1 0 238.331 1.702 10 0 BDAERO COc1cccc([C@@H](O)[C@@H]2CCCC[NH2+]2)c1 ZINC000041237244 175289688 /nfs/dbraw/zinc/28/96/88/175289688.db2.gz KVQPHGYDDHUUHV-QWHCGFSZSA-N 1 0 221.300 1.871 10 0 BDAERO COc1cccc([C@@H](O)[C@@H]2CCC[NH2+]2)c1 ZINC000041215808 175290216 /nfs/dbraw/zinc/29/02/16/175290216.db2.gz KORIPTOVWUHPED-NWDGAFQWSA-N 1 0 207.273 1.481 10 0 BDAERO COc1cccc([C@H]2[C@H]([NH3+])CCN2C2CC2)c1 ZINC000070299716 175296442 /nfs/dbraw/zinc/29/64/42/175296442.db2.gz LNCNFGRZOJOWPW-KGLIPLIRSA-N 1 0 232.327 1.932 10 0 BDAERO COc1cccc([S@@](=O)C[C@H]2CC[NH2+]C2)c1 ZINC000083294996 175297767 /nfs/dbraw/zinc/29/77/67/175297767.db2.gz YGHSGPUHTDKQKU-MGPLVRAMSA-N 1 0 239.340 1.412 10 0 BDAERO COc1cccc2[nH]nc(CCC[NH3+])c21 ZINC000107439656 175297952 /nfs/dbraw/zinc/29/79/52/175297952.db2.gz RQOZSCQWQNELNX-UHFFFAOYSA-N 1 0 205.261 1.463 10 0 BDAERO COc1cccc2c1[C@H](O)[C@H]([NH3+])CCC2 ZINC000019795512 175305616 /nfs/dbraw/zinc/30/56/16/175305616.db2.gz CWKINACSCKGYJT-BXKDBHETSA-N 1 0 207.273 1.392 10 0 BDAERO COc1cccc2c3c([nH]c21)CC[C@@H]([NH3+])C3 ZINC000071477439 175306628 /nfs/dbraw/zinc/30/66/28/175306628.db2.gz QAVHOSCBRDWIPC-MRVPVSSYSA-N 1 0 216.284 1.993 10 0 BDAERO COc1ccccc1-c1ccc(NN)[nH+]n1 ZINC000050194198 175309887 /nfs/dbraw/zinc/30/98/87/175309887.db2.gz USQCPILVLRVMCO-UHFFFAOYSA-N 1 0 216.244 1.438 10 0 BDAERO COc1ccccc1-c1n[nH]cc1C[NH3+] ZINC000082639303 175310694 /nfs/dbraw/zinc/31/06/94/175310694.db2.gz MLMPHKSNBPTXGO-UHFFFAOYSA-N 1 0 203.245 1.544 10 0 BDAERO COc1ccccc1-c1nn(C)cc1C[NH3+] ZINC000031885519 175311848 /nfs/dbraw/zinc/31/18/48/175311848.db2.gz VQXFDCZJYJIBJF-UHFFFAOYSA-N 1 0 217.272 1.554 10 0 BDAERO COc1ccccc1C[C@@H]1C[NH2+]CCC1=O ZINC000071521246 175333199 /nfs/dbraw/zinc/33/31/99/175333199.db2.gz KTTVLAHLKIKCGW-LLVKDONJSA-N 1 0 219.284 1.416 10 0 BDAERO COc1ccccc1C[C@H](O)[C@@H]1CCC[NH2+]1 ZINC000041237404 175333741 /nfs/dbraw/zinc/33/37/41/175333741.db2.gz GRHBIHILGWTKLE-RYUDHWBXSA-N 1 0 221.300 1.351 10 0 BDAERO COc1ccccc1C[C@](C)([NH2+]C1CC1)C(N)=O ZINC000037895021 175334078 /nfs/dbraw/zinc/33/40/78/175334078.db2.gz SCTFHYHRUGVEPP-AWEZNQCLSA-N 1 0 248.326 1.234 10 0 BDAERO COc1ccccc1N(CCC[NH3+])C(C)=O ZINC000020233534 175336149 /nfs/dbraw/zinc/33/61/49/175336149.db2.gz IMIYUSIFRFZVLP-UHFFFAOYSA-N 1 0 222.288 1.397 10 0 BDAERO COc1ccccc1NC(=O)[C@H](C)CC[NH3+] ZINC000076611136 175336993 /nfs/dbraw/zinc/33/69/93/175336993.db2.gz ARUWHFISSJDOBE-SECBINFHSA-N 1 0 222.288 1.619 10 0 BDAERO COc1ccccc1OCC[C@](C)(O)C[NH3+] ZINC000019668218 175341375 /nfs/dbraw/zinc/34/13/75/175341375.db2.gz GEBTZWPZKMSWBB-LBPRGKRZSA-N 1 0 225.288 1.174 10 0 BDAERO COc1ccccc1OCCO[C@@H](C)C[NH3+] ZINC000074527871 175342027 /nfs/dbraw/zinc/34/20/27/175342027.db2.gz ULAGSXBTSRQLBB-JTQLQIEISA-N 1 0 225.288 1.438 10 0 BDAERO COc1ccccc1OCCOCCC[NH3+] ZINC000074527251 175342068 /nfs/dbraw/zinc/34/20/68/175342068.db2.gz VVCZRAAUERTILC-UHFFFAOYSA-N 1 0 225.288 1.439 10 0 BDAERO COc1ccccc1[C@H](C)N(C)C(=O)[C@@H](C)[NH3+] ZINC000037808303 175350977 /nfs/dbraw/zinc/35/09/77/175350977.db2.gz XSYXJHUDBKVNOD-ZJUUUORDSA-N 1 0 236.315 1.562 10 0 BDAERO COc1ccccc1[C@H]([NH3+])c1cnn(C)c1 ZINC000034957669 175353575 /nfs/dbraw/zinc/35/35/75/175353575.db2.gz CTMRHDFMATYSCW-GFCCVEGCSA-N 1 0 217.272 1.477 10 0 BDAERO COc1ccccc1[C@H]([C@H](C)[NH3+])N(C)C ZINC000043096922 175354287 /nfs/dbraw/zinc/35/42/87/175354287.db2.gz FFTFVDJCTSTFSW-CABZTGNLSA-N 1 0 208.305 1.645 10 0 BDAERO COc1ccccc1[S@@](=O)C1CC[NH2+]CC1 ZINC000083319606 175356047 /nfs/dbraw/zinc/35/60/47/175356047.db2.gz GCFQOFTWEBJMEX-MRXNPFEDSA-N 1 0 239.340 1.555 10 0 BDAERO COc1ccnc(Oc2ccc(CC[NH3+])cc2)n1 ZINC000022147398 175368802 /nfs/dbraw/zinc/36/88/02/175368802.db2.gz UDBHRMMQAFUIOW-UHFFFAOYSA-N 1 0 245.282 1.779 10 0 BDAERO COc1nc(NC[C@@H]2CC[N@H+](C)C2)ccc1N ZINC000037645779 175396064 /nfs/dbraw/zinc/39/60/64/175396064.db2.gz WRIXPYLNIDEBQC-VIFPVBQESA-N 1 0 236.319 1.036 10 0 BDAERO COc1nc2sccn2c1C[NH2+]C(C)C ZINC000035430459 175397229 /nfs/dbraw/zinc/39/72/29/175397229.db2.gz NTOBZDPCADQKFI-UHFFFAOYSA-N 1 0 225.317 1.902 10 0 BDAERO COc1nc2ccccc2nc1O[C@@H]1CC[NH2+]C1 ZINC000095071709 175397259 /nfs/dbraw/zinc/39/72/59/175397259.db2.gz XEDOUJKYXQSRLH-SECBINFHSA-N 1 0 245.282 1.379 10 0 BDAERO C[C@@H](C(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000032090013 175629864 /nfs/dbraw/zinc/62/98/64/175629864.db2.gz RTVXCEJTZNQAOZ-JTQLQIEISA-N 1 0 236.290 1.302 10 0 BDAERO C[C@@H](CCCC[NH3+])N=c1[nH]c2ccccc2[nH]1 ZINC000336729943 175662670 /nfs/dbraw/zinc/66/26/70/175662670.db2.gz XRNUYJLUGSEBNK-JTQLQIEISA-N 1 0 232.331 1.914 10 0 BDAERO C[C@@H](C[NH3+])CCc1ccc2c(c1)OCO2 ZINC000037245680 175706781 /nfs/dbraw/zinc/70/67/81/175706781.db2.gz XQUUFAJVMPVGDO-SECBINFHSA-N 1 0 207.273 1.943 10 0 BDAERO C[C@@H](C[NH2+]C1CC1)Cn1nnc2ccccc21 ZINC000052576815 175730553 /nfs/dbraw/zinc/73/05/53/175730553.db2.gz MFJKFLWISMIDNA-JTQLQIEISA-N 1 0 230.315 1.819 10 0 BDAERO C[C@@H]([NH3+])Cc1cnc(C[C@@H]2CCCO2)nc1 ZINC000054857819 175807744 /nfs/dbraw/zinc/80/77/44/175807744.db2.gz NQCAZJRDAXCYPL-KOLCDFICSA-N 1 0 221.304 1.088 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1nc2ccccc2n1C ZINC000335898814 175808388 /nfs/dbraw/zinc/80/83/88/175808388.db2.gz XAKSVTPTAMCTBI-RKDXNWHRSA-N 1 0 218.304 1.143 10 0 BDAERO C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)n1ccnc1 ZINC000042973144 175810791 /nfs/dbraw/zinc/81/07/91/175810791.db2.gz STORPDQTEUKNOY-SKDRFNHKSA-N 1 0 219.263 1.959 10 0 BDAERO C[C@@H]([NH3+])[C@H](N1CCC(O)CC1)C(C)(C)C ZINC000043291497 175812579 /nfs/dbraw/zinc/81/25/79/175812579.db2.gz RYRPVDRVAFAMAX-KOLCDFICSA-N 1 0 214.353 1.205 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1ccc2c(c1)OCCCO2 ZINC000037674831 175812334 /nfs/dbraw/zinc/81/23/34/175812334.db2.gz DKKUHDORDGRZES-PELKAZGASA-N 1 0 223.272 1.229 10 0 BDAERO C[C@@H]([NH3+])c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000022175908 175818226 /nfs/dbraw/zinc/81/82/26/175818226.db2.gz MJELEASGZNDQKA-SKDRFNHKSA-N 1 0 234.299 1.824 10 0 BDAERO C[C@@H]([NH3+])c1cnn(C[C@H]2CCCCO2)c1 ZINC000054716922 175819170 /nfs/dbraw/zinc/81/91/70/175819170.db2.gz ZAEZLBAMKOTXHL-MWLCHTKSSA-N 1 0 209.293 1.472 10 0 BDAERO C[C@@H](NC(=O)C1C[NH2+]C1)c1cc2ccccc2o1 ZINC000091406974 175827700 /nfs/dbraw/zinc/82/77/00/175827700.db2.gz YYDWVWYXHVIKQU-SECBINFHSA-N 1 0 244.294 1.829 10 0 BDAERO C[C@@H](NC(=O)CC[NH2+]C1CC1)c1cccnc1 ZINC000037612224 175830294 /nfs/dbraw/zinc/83/02/94/175830294.db2.gz PUMNQRGIMCTJFZ-SNVBAGLBSA-N 1 0 233.315 1.401 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000084309479 175843418 /nfs/dbraw/zinc/84/34/18/175843418.db2.gz URRFWNRWLOELHF-FBIMIBRVSA-N 1 0 210.321 1.276 10 0 BDAERO C[C@@H](NC(=O)c1ccc(O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000035690503 175849013 /nfs/dbraw/zinc/84/90/13/175849013.db2.gz OAQNXYUUSZMXQX-MFKMUULPSA-N 1 0 248.326 1.653 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccnc1 ZINC000102231056 175916648 /nfs/dbraw/zinc/91/66/48/175916648.db2.gz IQCYMWIHXZUOGX-CKYFFXLPSA-N 1 0 206.289 1.910 10 0 BDAERO C[C@@H](Nc1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000050164021 175938630 /nfs/dbraw/zinc/93/86/30/175938630.db2.gz ZRLQDYONMVNZIC-RKDXNWHRSA-N 1 0 211.334 1.943 10 0 BDAERO C[C@@H](OC1CC[NH2+]CC1)C(=O)NC(C)(C)C ZINC000037390616 176002183 /nfs/dbraw/zinc/00/21/83/176002183.db2.gz LXCMUUURVNIXBX-SECBINFHSA-N 1 0 228.336 1.058 10 0 BDAERO C[C@@H](Oc1ccc(C[NH2+]C2CC2)cc1)C(N)=O ZINC000034658100 176003804 /nfs/dbraw/zinc/00/38/04/176003804.db2.gz UGFWADOCQJNNMG-SECBINFHSA-N 1 0 234.299 1.191 10 0 BDAERO C[C@@H](Oc1cccc(CC[NH3+])c1)C(=O)N(C)C ZINC000037721282 176004447 /nfs/dbraw/zinc/00/44/47/176004447.db2.gz ZGCKLVMNDVIIGU-SNVBAGLBSA-N 1 0 236.315 1.043 10 0 BDAERO C[C@@H](Oc1ccccc1C[NH3+])C(=O)N(C)C ZINC000020386679 176006081 /nfs/dbraw/zinc/00/60/81/176006081.db2.gz QMBUQMPSCWQZGV-SECBINFHSA-N 1 0 222.288 1.001 10 0 BDAERO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccccc1 ZINC000179052236 176045354 /nfs/dbraw/zinc/04/53/54/176045354.db2.gz CTENBVPVBVMULV-LLVKDONJSA-N 1 0 218.300 1.397 10 0 BDAERO C[C@@H]1CC(N)=[NH+]N1c1nc2c(s1)CCCC2 ZINC000033754386 176053033 /nfs/dbraw/zinc/05/30/33/176053033.db2.gz GINRFPGQEWNBJV-SSDOTTSWSA-N 1 0 236.344 1.893 10 0 in-man BDAERO C[C@@H]1CCCC[C@H]1N(C)C(=O)C(C)(C)[NH3+] ZINC000042288499 176085280 /nfs/dbraw/zinc/08/52/80/176085280.db2.gz OACTXZCYBMTJRU-NXEZZACHSA-N 1 0 212.337 1.761 10 0 BDAERO C[C@@H]1CCCC[C@]1([NH2+]CC1CC1)C(N)=O ZINC000037947052 176091450 /nfs/dbraw/zinc/09/14/50/176091450.db2.gz WAFCARHRUDJCEF-BXKDBHETSA-N 1 0 210.321 1.420 10 0 BDAERO C[C@@H]1CCCN1C(=O)C[NH2+]C1CCCC1 ZINC000037911974 176104683 /nfs/dbraw/zinc/10/46/83/176104683.db2.gz VAPDASCUQLGBSA-SNVBAGLBSA-N 1 0 210.321 1.530 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)NC1CCCC1 ZINC000051792025 176112517 /nfs/dbraw/zinc/11/25/17/176112517.db2.gz OXHFMAOLJAVAPL-MWLCHTKSSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N(C)C1CCOCC1 ZINC000051792996 176112689 /nfs/dbraw/zinc/11/26/89/176112689.db2.gz TZBLVDMRIYYFCT-ZYHUDNBSSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1CCC[C@@](C[NH3+])(NC(=O)c2ccccn2)C1 ZINC000104325843 176133954 /nfs/dbraw/zinc/13/39/54/176133954.db2.gz HZGANNWNYWAAMW-BXUZGUMPSA-N 1 0 247.342 1.719 10 0 BDAERO C[C@@H]1CCC[C@]([NH2+]CC2CC2)(C(N)=O)C1 ZINC000037947060 176152164 /nfs/dbraw/zinc/15/21/64/176152164.db2.gz GTLFGWYWJKDGDM-BXKDBHETSA-N 1 0 210.321 1.420 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000054291137 176156875 /nfs/dbraw/zinc/15/68/75/176156875.db2.gz NURCWVDQBSRRNY-GHMZBOCLSA-N 1 0 210.321 1.245 10 0 BDAERO C[C@@H]1CCN(C(=O)c2ccco2)[C@@H](C[NH3+])C1 ZINC000235333125 176164389 /nfs/dbraw/zinc/16/43/89/176164389.db2.gz RTZUKGCLKOTMKW-NXEZZACHSA-N 1 0 222.288 1.479 10 0 BDAERO C[C@@H]1CC[N@H+](CCn2cc(N)cn2)[C@H](C)C1 ZINC000051729258 176169833 /nfs/dbraw/zinc/16/98/33/176169833.db2.gz REMXWJYTVYGBAX-GHMZBOCLSA-N 1 0 222.336 1.586 10 0 BDAERO C[C@@H]1CCN(CCc2ccccn2)CC[NH2+]1 ZINC000049662122 176171355 /nfs/dbraw/zinc/17/13/55/176171355.db2.gz AXAIKFGZTZMCIR-GFCCVEGCSA-N 1 0 219.332 1.308 10 0 BDAERO C[C@@H]1CCN(Cc2nccs2)[C@@H](C[NH3+])C1 ZINC000235344019 176179268 /nfs/dbraw/zinc/17/92/68/176179268.db2.gz GUIJTJGGBIXJEF-NXEZZACHSA-N 1 0 225.361 1.702 10 0 BDAERO C[C@@H]1CCN(c2ccc(C[NH2+]C3CC3)nn2)C1 ZINC000051448483 176182002 /nfs/dbraw/zinc/18/20/02/176182002.db2.gz UBEPMFOLGAHZOU-SNVBAGLBSA-N 1 0 232.331 1.575 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)N2CCc3ccccc32)C[NH2+]1 ZINC000019518111 176195881 /nfs/dbraw/zinc/19/58/81/176195881.db2.gz SWUHGAJSIVZESK-DGCLKSJQSA-N 1 0 244.338 1.964 10 0 BDAERO C[C@@H]1CC[C@H](CN2CCCOC2=O)C[NH2+]1 ZINC000062037654 176224389 /nfs/dbraw/zinc/22/43/89/176224389.db2.gz YFESOCKGHZFWMR-ZJUUUORDSA-N 1 0 212.293 1.217 10 0 BDAERO CC(C)C1(C[NH2+]C[C@H]2CN(C)CCO2)CC1 ZINC000232679326 487632952 /nfs/dbraw/zinc/63/29/52/487632952.db2.gz DAWNZECNKQTANQ-LBPRGKRZSA-N 1 0 226.364 1.343 10 0 BDAERO C[C@@H]1CN(C(C)(C)C[NH3+])CC(C)(C)O1 ZINC000045664790 176265861 /nfs/dbraw/zinc/26/58/61/176265861.db2.gz URWRYQOPZALLJZ-SECBINFHSA-N 1 0 200.326 1.223 10 0 BDAERO C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1[NH3+] ZINC000066354498 176253676 /nfs/dbraw/zinc/25/36/76/176253676.db2.gz PIKUMWWWMLIKJN-YPMHNXCESA-N 1 0 248.326 1.992 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2[NH3+])CCS1 ZINC000246508138 176258289 /nfs/dbraw/zinc/25/82/89/176258289.db2.gz QKIAXNXFZHRVER-KXUCPTDWSA-N 1 0 228.361 1.078 10 0 BDAERO C[C@@H]1CN(C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000306561787 176277264 /nfs/dbraw/zinc/27/72/64/176277264.db2.gz BZDAPBXJNLWRRT-VXNVDRBHSA-N 1 0 204.264 1.324 10 0 BDAERO C[C@@H]1C[N@@H+](C2CCC2)C[C@H]1N1CCOCC1 ZINC000245619671 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ZINC000113227997 176323107 /nfs/dbraw/zinc/32/31/07/176323107.db2.gz MTTOPLXPJPHZAC-DGCLKSJQSA-N 1 0 245.326 1.390 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CCSC1 ZINC000300232936 176324622 /nfs/dbraw/zinc/32/46/22/176324622.db2.gz JATOQBNGBABMGY-AGIUHOORSA-N 1 0 240.416 1.908 10 0 BDAERO C[C@@H]1C[NH2+]CCN1CC(=O)c1cccs1 ZINC000095069597 176326597 /nfs/dbraw/zinc/32/65/97/176326597.db2.gz GGBMKDSZQXAEOO-SECBINFHSA-N 1 0 224.329 1.225 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccccn1 ZINC000019801269 176329072 /nfs/dbraw/zinc/32/90/72/176329072.db2.gz YFGHBWADVAXFQJ-GHMZBOCLSA-N 1 0 205.305 1.264 10 0 BDAERO C[C@@H]1COCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000131017642 176334542 /nfs/dbraw/zinc/33/45/42/176334542.db2.gz PGGUYUKKLATTGU-SNVBAGLBSA-N 1 0 246.310 1.151 10 0 BDAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1cccc(F)c1 ZINC000035774653 176337378 /nfs/dbraw/zinc/33/73/78/176337378.db2.gz XRMOOEZCHHNOSQ-MFKMUULPSA-N 1 0 238.306 1.546 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1CCCCCO ZINC000304290324 176345702 /nfs/dbraw/zinc/34/57/02/176345702.db2.gz LYDZHLCXYAQZDP-GHMZBOCLSA-N 1 0 201.310 1.258 10 0 BDAERO C[C@@H]1CSC(NC[C@H]2CCCO2)=[NH+]1 ZINC000035295107 176349429 /nfs/dbraw/zinc/34/94/29/176349429.db2.gz NLPPWUPOJNIPKC-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054290339 176359885 /nfs/dbraw/zinc/35/98/85/176359885.db2.gz OMCOLWSDVWLFIX-UPJWGTAASA-N 1 0 238.375 1.881 10 0 BDAERO C[C@@H]1C[C@@H]1CN(C)c1nc2ccccn2c1C[NH3+] ZINC000104422136 176392416 /nfs/dbraw/zinc/39/24/16/176392416.db2.gz XVWJTWVTXLNWCS-GHMZBOCLSA-N 1 0 244.342 1.885 10 0 BDAERO C[C@@H]1C[C@@H]1C[NH2+]Cc1ncccc1N(C)C ZINC000336777286 176396737 /nfs/dbraw/zinc/39/67/37/176396737.db2.gz HZURMWXIVQLXGF-GHMZBOCLSA-N 1 0 219.332 1.893 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])c2cc(F)c(F)cc2S1(=O)=O ZINC000035752341 176415695 /nfs/dbraw/zinc/41/56/95/176415695.db2.gz KXEUVTSQHOWDEV-ANLVUFKYSA-N 1 0 247.266 1.531 10 0 BDAERO C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2[NH2+]1 ZINC000082327556 176449218 /nfs/dbraw/zinc/44/92/18/176449218.db2.gz IMGCYFQUJFSFQQ-VWYCJHECSA-N 1 0 240.347 1.994 10 0 BDAERO C[C@@H]1Cc2ccccc2N1CCN1CC[NH2+]CC1 ZINC000020179802 176451709 /nfs/dbraw/zinc/45/17/09/176451709.db2.gz RREQBUIZPYBAEX-CYBMUJFWSA-N 1 0 245.370 1.343 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000348187074 176480779 /nfs/dbraw/zinc/48/07/79/176480779.db2.gz GEOBEAKCCJHPKI-WRWGMCAJSA-N 1 0 213.321 1.569 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc(F)cc1F ZINC000335550879 176494706 /nfs/dbraw/zinc/49/47/06/176494706.db2.gz BYRRZIGAQLXZIX-PELKAZGASA-N 1 0 226.270 1.886 10 0 BDAERO C[C@@]1(Cc2ccccc2F)OC[C@@H](C[NH3+])O1 ZINC000019729868 176535027 /nfs/dbraw/zinc/53/50/27/176535027.db2.gz UFAVLESEBYWYSQ-ZYHUDNBSSA-N 1 0 225.263 1.459 10 0 BDAERO C[C@H](C(=O)N1CCCCC[C@@H]1C)C1C[NH2+]C1 ZINC000129261620 176561490 /nfs/dbraw/zinc/56/14/90/176561490.db2.gz FVCCGEKZIQNIDA-QWRGUYRKSA-N 1 0 224.348 1.633 10 0 BDAERO C[C@H](C[NH3+])c1nc2c(s1)CSCC2 ZINC000054158416 176664073 /nfs/dbraw/zinc/66/40/73/176664073.db2.gz UTEHZGOONMOEPD-ZCFIWIBFSA-N 1 0 214.359 1.995 10 0 BDAERO C[C@H]([NH3+])Cc1nc(-c2ccccn2)c[nH]1 ZINC000037476819 176763370 /nfs/dbraw/zinc/76/33/70/176763370.db2.gz RKLILKGIKPLSNM-QMMMGPOBSA-N 1 0 202.261 1.361 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[NH2+]1)c1ccc(F)c(F)c1 ZINC000335819405 176814508 /nfs/dbraw/zinc/81/45/08/176814508.db2.gz OSLIXBBLWTUCIP-WRWORJQWSA-N 1 0 240.253 1.504 10 0 BDAERO C[C@H](O)c1ccccc1NC1CC[NH2+]CC1 ZINC000049543210 177018028 /nfs/dbraw/zinc/01/80/28/177018028.db2.gz BSDWJUKYVHHNJP-JTQLQIEISA-N 1 0 220.316 1.904 10 0 BDAERO C[C@H](OC[C@H]1CCC[NH2+]1)c1cnccn1 ZINC000095068498 177021467 /nfs/dbraw/zinc/02/14/67/177021467.db2.gz IPJSVNUXBPDTKM-VHSXEESVSA-N 1 0 207.277 1.306 10 0 BDAERO C[C@H](Oc1ccc(C2=CC[NH2+]CC2)cc1)C(N)=O ZINC000034939871 177022556 /nfs/dbraw/zinc/02/25/56/177022556.db2.gz AWIGUNOWGIWAOG-JTQLQIEISA-N 1 0 246.310 1.316 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)N(C)C ZINC000020419514 177024354 /nfs/dbraw/zinc/02/43/54/177024354.db2.gz AUTNIZAVTWCBHH-ZJUUUORDSA-N 1 0 236.315 1.562 10 0 BDAERO C[C@H](Oc1ccccc1C[NH3+])C(=O)N1CCCC1 ZINC000020386600 177024587 /nfs/dbraw/zinc/02/45/87/177024587.db2.gz YCNJYTUWFDYSNY-NSHDSACASA-N 1 0 248.326 1.535 10 0 BDAERO C[C@H](c1ccc2c(c1)OCCO2)N(C)CC[NH3+] ZINC000054416684 177035938 /nfs/dbraw/zinc/03/59/38/177035938.db2.gz RCXAIQXQAPQCPM-SNVBAGLBSA-N 1 0 236.315 1.409 10 0 BDAERO C[C@H](c1ccccc1Cl)N1CC[C@@H]([NH3+])C1=O ZINC000049659874 177041601 /nfs/dbraw/zinc/04/16/01/177041601.db2.gz HJYWYZFGOCVZLQ-LDYMZIIASA-N 1 0 238.718 1.961 10 0 BDAERO C[C@H](c1nc2cc(O)ccc2[nH]1)N1CC[NH2+]CC1 ZINC000074321910 177053815 /nfs/dbraw/zinc/05/38/15/177053815.db2.gz IGLCMLSPBJNMBJ-SECBINFHSA-N 1 0 246.314 1.235 10 0 BDAERO C[C@@H](O)CC[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033777 177065379 /nfs/dbraw/zinc/06/53/79/177065379.db2.gz WDHKKXMPXDJQDH-NFLHVTIKSA-N 1 0 201.310 1.303 10 0 BDAERO C[C@H]1CCCC[C@H]1N(C)C(=O)N1CC[NH2+]CC1 ZINC000042607019 177087110 /nfs/dbraw/zinc/08/71/10/177087110.db2.gz JZMNGTZNTMBRIS-NWDGAFQWSA-N 1 0 239.363 1.522 10 0 BDAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC1CS(=O)(=O)C1 ZINC000336250047 177098286 /nfs/dbraw/zinc/09/82/86/177098286.db2.gz FMHSGKITDFRMKK-WDEREUQCSA-N 1 0 245.388 1.542 10 0 BDAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1cc(N)cn1 ZINC000050614935 177100443 /nfs/dbraw/zinc/10/04/43/177100443.db2.gz VOIXNJODPXBPMB-WDEREUQCSA-N 1 0 222.336 1.586 10 0 BDAERO C[C@H]1CCC[NH2+][C@H]1CN1C(=O)CCCCC1=O ZINC000071339267 177112480 /nfs/dbraw/zinc/11/24/80/177112480.db2.gz CATGKCZOQCUXHU-QWRGUYRKSA-N 1 0 238.331 1.304 10 0 BDAERO C[C@H]1CCC[NH2+][C@@H]1CN1C(=O)CCCCC1=O ZINC000071339265 177112491 /nfs/dbraw/zinc/11/24/91/177112491.db2.gz CATGKCZOQCUXHU-WDEREUQCSA-N 1 0 238.331 1.304 10 0 BDAERO C[C@H]1CCC[NH2+][C@@H]1C(=O)N1CCCCCC1 ZINC000051792111 177112847 /nfs/dbraw/zinc/11/28/47/177112847.db2.gz IBVKKYUVWWSLME-RYUDHWBXSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@H]1CCC[C@H](C(=O)NCCc2ccccc2)[NH2+]1 ZINC000019489231 177129099 /nfs/dbraw/zinc/12/90/99/177129099.db2.gz ZSMNEQFSTJZPHA-GXTWGEPZSA-N 1 0 246.354 1.876 10 0 BDAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)NCC1CC1 ZINC000020055282 177136947 /nfs/dbraw/zinc/13/69/47/177136947.db2.gz MNNQQOFTKVTRSC-LOWVWBTDSA-N 1 0 238.375 1.927 10 0 BDAERO C[C@H]1CCC[C@]([NH3+])(C(=O)OC2CCC2)C1 ZINC000050929382 177143372 /nfs/dbraw/zinc/14/33/72/177143372.db2.gz PVBJQPDJTKVEGH-JOYOIKCWSA-N 1 0 211.305 1.990 10 0 BDAERO C[C@H]1CCN(C(=O)CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000235580109 177146260 /nfs/dbraw/zinc/14/62/60/177146260.db2.gz UBHIOAZULJAQAK-JGVFFNPUSA-N 1 0 238.253 1.525 10 0 BDAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1CC1(CO)CCOCC1 ZINC000052199946 177158394 /nfs/dbraw/zinc/15/83/94/177158394.db2.gz VCHJRMRGFNSLHM-QWHCGFSZSA-N 1 0 241.375 1.896 10 0 BDAERO C[C@H]1CCN(CCOC2CCCC2)CC[NH2+]1 ZINC000082627839 177161101 /nfs/dbraw/zinc/16/11/01/177161101.db2.gz FWCPXKOXKSKKBH-LBPRGKRZSA-N 1 0 226.364 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CCC[C@H]1C[C@H]1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226378752 487725102 /nfs/dbraw/zinc/72/51/02/487725102.db2.gz PIGYFQCSAHYRDO-ZRUFSTJUSA-N 1 0 210.321 1.419 10 0 BDAERO CCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000249957250 487725540 /nfs/dbraw/zinc/72/55/40/487725540.db2.gz JCPJLKGEPODDSO-CLLJXQQHSA-N 1 0 236.359 1.587 10 0 BDAERO Cc1cncc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000226400341 487734665 /nfs/dbraw/zinc/73/46/65/487734665.db2.gz YAZWVBRPDLQAPE-UHFFFAOYSA-N 1 0 233.315 1.846 10 0 BDAERO CC(C)n1ncnc1C[NH2+]CC[C@@H]1CCCO1 ZINC000088589936 487736185 /nfs/dbraw/zinc/73/61/85/487736185.db2.gz PYZNTUQXSVFHCT-NSHDSACASA-N 1 0 238.335 1.518 10 0 BDAERO C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250625167 487736949 /nfs/dbraw/zinc/73/69/49/487736949.db2.gz PYOWKPFKDQEILE-WRWGMCAJSA-N 1 0 222.332 1.243 10 0 BDAERO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250641074 487737503 /nfs/dbraw/zinc/73/75/03/487737503.db2.gz TWGNIUQETPRUEZ-YFKTTZPYSA-N 1 0 222.332 1.100 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250708626 487737898 /nfs/dbraw/zinc/73/78/98/487737898.db2.gz FQBHZVIWXXKBJA-YFKTTZPYSA-N 1 0 222.332 1.100 10 0 BDAERO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000250726445 487738946 /nfs/dbraw/zinc/73/89/46/487738946.db2.gz JMEJUXATZLHKFZ-USZNOCQGSA-N 1 0 222.332 1.243 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250865847 487743497 /nfs/dbraw/zinc/74/34/97/487743497.db2.gz RGWIAAATCBNKFA-USZNOCQGSA-N 1 0 222.332 1.372 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[C@H]1O ZINC000251264873 487752773 /nfs/dbraw/zinc/75/27/73/487752773.db2.gz AORHRICBKAZUIM-IJLUTSLNSA-N 1 0 242.363 1.027 10 0 BDAERO CC(C)C[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251345642 487753652 /nfs/dbraw/zinc/75/36/52/487753652.db2.gz AMEQTVYZKTYRRQ-SRVKXCTJSA-N 1 0 226.364 1.912 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCS[C@@H](C)C1 ZINC000155679723 487756453 /nfs/dbraw/zinc/75/64/53/487756453.db2.gz NCNQNCJVARYCLM-VHSXEESVSA-N 1 0 230.377 1.324 10 0 BDAERO CC[C@@H]([NH2+]C[C@H](O)Cn1cccn1)C(C)C ZINC000042588109 487761693 /nfs/dbraw/zinc/76/16/93/487761693.db2.gz ZYJXVYRAKBZVTE-NWDGAFQWSA-N 1 0 225.336 1.268 10 0 BDAERO COCC1(C[N@@H+]2CCC[C@@H](O)[C@H]2C)CCC1 ZINC000385078285 487764838 /nfs/dbraw/zinc/76/48/38/487764838.db2.gz WKPRZIDZNRIEPY-VXGBXAGGSA-N 1 0 227.348 1.648 10 0 BDAERO CCN(CC1CC1)C(=O)C1CCC([NH3+])CC1 ZINC000068947099 487784349 /nfs/dbraw/zinc/78/43/49/487784349.db2.gz OYAOBBYCYASLGV-UHFFFAOYSA-N 1 0 224.348 1.762 10 0 BDAERO CC[C@@H]1CN(c2cccc(C)n2)CC[C@H]1[NH3+] ZINC000251917182 487807742 /nfs/dbraw/zinc/80/77/42/487807742.db2.gz YFGMBFXCVISTPZ-VXGBXAGGSA-N 1 0 219.332 1.954 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000252207021 487822195 /nfs/dbraw/zinc/82/21/95/487822195.db2.gz VILMWXCUGDMCKE-WOPDTQHZSA-N 1 0 224.348 1.620 10 0 BDAERO CC(C)Oc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1 ZINC000676234780 487825224 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Cc1cnc([C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)o1 ZINC000231744352 487474264 /nfs/dbraw/zinc/47/42/64/487474264.db2.gz VXJGNKZKWVPQFF-UWVGGRQHSA-N 1 0 239.319 1.534 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1 ZINC000061884351 487487390 /nfs/dbraw/zinc/48/73/90/487487390.db2.gz QLFKQBSQEJNSPC-PWSUYJOCSA-N 1 0 233.315 1.936 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)C1CCCC1 ZINC000086272122 487496211 /nfs/dbraw/zinc/49/62/11/487496211.db2.gz LJRIIYDSRMGTQO-HOSYDEDBSA-N 1 0 224.348 1.679 10 0 BDAERO CC(C)(O)C(C)(C)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000381241076 487502069 /nfs/dbraw/zinc/50/20/69/487502069.db2.gz NCTZUKHNSXPHSF-QWRGUYRKSA-N 1 0 229.364 1.677 10 0 BDAERO [NH3+]C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCCC1 ZINC000300141078 487502526 /nfs/dbraw/zinc/50/25/26/487502526.db2.gz NWHXLDBFZGTYME-YVECIDJPSA-N 1 0 236.359 1.666 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000671453383 487504030 /nfs/dbraw/zinc/50/40/30/487504030.db2.gz LPHNQZOVROORPL-GRYCIOLGSA-N 1 0 229.364 1.750 10 0 BDAERO Cc1noc2ncnc(N3C[C@@H](C)[NH2+]C[C@@H]3C)c12 ZINC000086471003 487511224 /nfs/dbraw/zinc/51/12/24/487511224.db2.gz DIHCTUOMPKPDEF-SFYZADRCSA-N 1 0 247.302 1.113 10 0 BDAERO CC(C)[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000324079181 487514070 /nfs/dbraw/zinc/51/40/70/487514070.db2.gz GCKKIRXYOUVGFZ-RISCZKNCSA-N 1 0 238.375 1.927 10 0 BDAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000381509164 487510635 /nfs/dbraw/zinc/51/06/35/487510635.db2.gz VHMZUATZVQQDNE-ZDCRXTMVSA-N 1 0 242.388 1.372 10 0 BDAERO C[C@@H]1SCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000381851569 487524118 /nfs/dbraw/zinc/52/41/18/487524118.db2.gz SWTVERIPNXIXIH-GARJFASQSA-N 1 0 242.388 1.386 10 0 BDAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCCOCC2)C1 ZINC000308886024 487572314 /nfs/dbraw/zinc/57/23/14/487572314.db2.gz GCRAOWBXACTZCS-NEPJUHHUSA-N 1 0 213.321 1.260 10 0 BDAERO C[C@H](C[C@H](C)[NH3+])Nc1ncncc1Cl ZINC000163768324 487766748 /nfs/dbraw/zinc/76/67/48/487766748.db2.gz YOENCHZIZBHEMU-NKWVEPMBSA-N 1 0 214.700 1.668 10 0 BDAERO CC(C)[C@H](CCO)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000390102924 488137064 /nfs/dbraw/zinc/13/70/64/488137064.db2.gz AUUZIWOZVRLVKA-XQQFMLRXSA-N 1 0 229.364 1.534 10 0 BDAERO Cc1ccc(CCN[C@@H]2CC[NH2+]C2)cc1C ZINC000258868632 488140108 /nfs/dbraw/zinc/14/01/08/488140108.db2.gz FWSXLDUBVWBLIR-CQSZACIVSA-N 1 0 218.344 1.797 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)C(N)=O ZINC000294250905 488147636 /nfs/dbraw/zinc/14/76/36/488147636.db2.gz PYRRDBQAIDPCOP-GHMZBOCLSA-N 1 0 234.299 1.233 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC000223403882 488160992 /nfs/dbraw/zinc/16/09/92/488160992.db2.gz QLIXJMHBSZDEAD-SMDDNHRTSA-N 1 0 246.354 1.516 10 0 BDAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000380021650 488167894 /nfs/dbraw/zinc/16/78/94/488167894.db2.gz WQRYQQROVDZBIU-QEYWKRMJSA-N 1 0 228.361 1.124 10 0 BDAERO C[C@@H]1SCC[C@@H]1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000380021644 488168350 /nfs/dbraw/zinc/16/83/50/488168350.db2.gz WQRYQQROVDZBIU-JLIMGVALSA-N 1 0 228.361 1.124 10 0 BDAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000054073005 488205657 /nfs/dbraw/zinc/20/56/57/488205657.db2.gz ZVTSIWAAHRFCLK-SFYZADRCSA-N 1 0 242.269 1.750 10 0 BDAERO O=C([C@H]1CCC[NH2+]C1)N1CCC2(CCC2)CC1 ZINC000308694155 488215338 /nfs/dbraw/zinc/21/53/38/488215338.db2.gz KDABRWYAVJUFQX-LBPRGKRZSA-N 1 0 236.359 1.779 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(CCC3)CC2)C1 ZINC000308705758 488215376 /nfs/dbraw/zinc/21/53/76/488215376.db2.gz ZXTZHVDEICXIAP-NWDGAFQWSA-N 1 0 236.359 1.907 10 0 BDAERO CC[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)C1CC1 ZINC000323709974 488217792 /nfs/dbraw/zinc/21/77/92/488217792.db2.gz KKJIXJGNUFRVGW-NWDGAFQWSA-N 1 0 229.364 1.941 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2C1 ZINC000398791025 488224533 /nfs/dbraw/zinc/22/45/33/488224533.db2.gz NNDCWCCZRSZPJS-GMTAPVOTSA-N 1 0 238.356 1.736 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3cncs3)C[C@H]2C1 ZINC000398791026 488224623 /nfs/dbraw/zinc/22/46/23/488224623.db2.gz NNDCWCCZRSZPJS-HBNTYKKESA-N 1 0 238.356 1.736 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn[nH]c1 ZINC000678259352 488227367 /nfs/dbraw/zinc/22/73/67/488227367.db2.gz LRRHYUINPLDEPV-LBPRGKRZSA-N 1 0 222.336 1.326 10 0 BDAERO COCC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000069632125 490178705 /nfs/dbraw/zinc/17/87/05/490178705.db2.gz FORBGWLFUQMHPM-VXGBXAGGSA-N 1 0 213.321 1.258 10 0 BDAERO C[C@H](NC(=O)c1cccc2c1CC[NH2+]C2)C1CC1 ZINC000124134746 490294974 /nfs/dbraw/zinc/29/49/74/490294974.db2.gz LBGMKJBOGDCPPC-JTQLQIEISA-N 1 0 244.338 1.861 10 0 BDAERO CC[NH2+]Cc1ccc(N2CCOC(C)(C)C2)nc1 ZINC000051447127 535478464 /nfs/dbraw/zinc/47/84/64/535478464.db2.gz WEIDSRHFLCKEPV-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO CCCCNC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000130380477 490384336 /nfs/dbraw/zinc/38/43/36/490384336.db2.gz HGGWWUGAQYVKNE-WDEREUQCSA-N 1 0 227.352 1.378 10 0 BDAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2ccncc2)cn1 ZINC000136081249 491052700 /nfs/dbraw/zinc/05/27/00/491052700.db2.gz CYLZAONULACFCE-CQSZACIVSA-N 1 0 242.326 1.943 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1CC ZINC000387967105 491058637 /nfs/dbraw/zinc/05/86/37/491058637.db2.gz FGRLBAMDAHFEDY-AGIUHOORSA-N 1 0 229.364 1.800 10 0 BDAERO CC[C@H](COC)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000227193111 491055937 /nfs/dbraw/zinc/05/59/37/491055937.db2.gz NJCKUOWPYKEDGY-OUAUKWLOSA-N 1 0 201.310 1.305 10 0 BDAERO C([NH2+][C@H]1CCCOC1)[C@@H]1CC12CCOCC2 ZINC000309321990 491146899 /nfs/dbraw/zinc/14/68/99/491146899.db2.gz FIARLKIZEYZVER-RYUDHWBXSA-N 1 0 225.332 1.572 10 0 BDAERO COC[C@](C)(O)C[NH2+]CC1CCC(C)CC1 ZINC000309631551 491153246 /nfs/dbraw/zinc/15/32/46/491153246.db2.gz HXSBTDJLSUXATR-WXRRBKDZSA-N 1 0 229.364 1.800 10 0 BDAERO CC[N@@H+]1C[C@H](C)[C@H](NCc2ncc(C)o2)C1 ZINC000309642911 491153439 /nfs/dbraw/zinc/15/34/39/491153439.db2.gz LEETVOXQFZPXPQ-GXSJLCMTSA-N 1 0 223.320 1.413 10 0 BDAERO CC[C@H]1CC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000309720134 491154939 /nfs/dbraw/zinc/15/49/39/491154939.db2.gz VSECOBWYJIDKSG-WCQYABFASA-N 1 0 226.364 1.221 10 0 BDAERO CCC(CC)C[NH2+][C@H]1CCCN(CCO)C1 ZINC000310034848 491159755 /nfs/dbraw/zinc/15/97/55/491159755.db2.gz SQSKUHSHBQRREH-ZDUSSCGKSA-N 1 0 228.380 1.469 10 0 BDAERO C1CC[C@H]2NC3(CC[NH2+]CC3)OC[C@@H]2C1 ZINC000757138673 582518339 /nfs/dbraw/zinc/51/83/39/582518339.db2.gz CYVQUGFXWWUVOL-WDEREUQCSA-N 1 0 210.321 1.245 10 0 BDAERO CC1(C)CC2(C1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757138665 582518676 /nfs/dbraw/zinc/51/86/76/582518676.db2.gz DFXGPCAHHSIARM-NSHDSACASA-N 1 0 211.305 1.672 10 0 BDAERO C[C@H]1[NH2+][C@]2(CCCOCC2)OCC12CC2 ZINC000757139204 582519568 /nfs/dbraw/zinc/51/95/68/582519568.db2.gz GEOFQRMJRAFOHN-ZYHUDNBSSA-N 1 0 211.305 1.672 10 0 BDAERO C1CC1[C@H]1CC[NH2+][C@@]2(CCCOCC2)O1 ZINC000757143623 582523838 /nfs/dbraw/zinc/52/38/38/582523838.db2.gz DULHHCWSRCMSGH-NEPJUHHUSA-N 1 0 211.305 1.672 10 0 BDAERO CC(C)[C@H]1N[C@@]2(CC[NH2+]C2)OCC1(C)C ZINC000757143693 582524300 /nfs/dbraw/zinc/52/43/00/582524300.db2.gz DZEGVSNGRNJFEN-PWSUYJOCSA-N 1 0 212.337 1.347 10 0 BDAERO CC(C)[C@@H]1O[C@@]2(CCN(C)C2)[NH2+]CC12CC2 ZINC000757148271 582532918 /nfs/dbraw/zinc/53/29/18/582532918.db2.gz TYGOSPBYOTXKED-WCQYABFASA-N 1 0 224.348 1.443 10 0 BDAERO CCCC1(CCC)NC2(C[NH2+]C2)CCO1 ZINC000757150256 582534202 /nfs/dbraw/zinc/53/42/02/582534202.db2.gz QMLDLNTVOHDMJL-UHFFFAOYSA-N 1 0 212.337 1.635 10 0 BDAERO CCOc1cccc(N2CC[C@H]2C[NH3+])n1 ZINC000757152913 582537084 /nfs/dbraw/zinc/53/70/84/582537084.db2.gz RYYCRBZFVBLHIW-VIFPVBQESA-N 1 0 207.277 1.018 10 0 BDAERO CCc1ccc(CSC[C@@](C)(O)C[NH3+])o1 ZINC000757169045 582549307 /nfs/dbraw/zinc/54/93/07/582549307.db2.gz FSXDNRWDNIWXHX-NSHDSACASA-N 1 0 229.345 1.785 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@@H]2c2cccs2)N1 ZINC000235694629 582603051 /nfs/dbraw/zinc/60/30/51/582603051.db2.gz NEKHQQHYTYXEMT-DTWKUNHWSA-N 1 0 221.329 1.843 10 0 BDAERO CCOC(=O)[C@H](CC)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227228044 535648903 /nfs/dbraw/zinc/64/89/03/535648903.db2.gz DSNWMYZAGFCZQT-GRYCIOLGSA-N 1 0 242.363 1.210 10 0 BDAERO CCN(C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261530841 535729188 /nfs/dbraw/zinc/72/91/88/535729188.db2.gz DHABDFSZDAZVBA-SECBINFHSA-N 1 0 213.325 1.117 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)OCc1ccccc1 ZINC000306690740 534130528 /nfs/dbraw/zinc/13/05/28/534130528.db2.gz PQSRFRVGNIGAPY-JQWIXIFHSA-N 1 0 234.299 1.663 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000307940947 534244598 /nfs/dbraw/zinc/24/45/98/534244598.db2.gz XZNORHXIEKHJJC-VGMNWLOBSA-N 1 0 241.253 1.145 10 0 BDAERO C[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000037459044 522511701 /nfs/dbraw/zinc/51/17/01/522511701.db2.gz VYXVDPJCFOEGAU-JTQLQIEISA-N 1 0 246.232 1.625 10 0 BDAERO CC(C)(C)NC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261576675 534706166 /nfs/dbraw/zinc/70/61/66/534706166.db2.gz KOCRIKYDRLXREP-SECBINFHSA-N 1 0 227.352 1.554 10 0 BDAERO Cc1ccc(N2CCN(C(N)=[NH2+])C[C@H]2C)cc1 ZINC000228987374 524959448 /nfs/dbraw/zinc/95/94/48/524959448.db2.gz FXDHBIJRGFMMHM-LLVKDONJSA-N 1 0 232.331 1.399 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C[C@H]2[NH2+]C[C@@H]2C1 ZINC000207405755 534909211 /nfs/dbraw/zinc/90/92/11/534909211.db2.gz AHUMUTMZKQKDPI-DJLDLDEBSA-N 1 0 212.293 1.262 10 0 BDAERO O=C(NCC[C@@H]1CC[NH2+]C1)OCc1ccccc1 ZINC000095080805 526384265 /nfs/dbraw/zinc/38/42/65/526384265.db2.gz XACSWFHMFFHFAN-LBPRGKRZSA-N 1 0 248.326 1.912 10 0 BDAERO CN(C[C@@H]1CCOC1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180973184 536436662 /nfs/dbraw/zinc/43/66/62/536436662.db2.gz UZQZGIVLLQMVJT-AAEUAGOBSA-N 1 0 240.347 1.014 10 0 BDAERO C[NH2+]C[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040601917 536465746 /nfs/dbraw/zinc/46/57/46/536465746.db2.gz NYFRBYVCJHKHCW-SECBINFHSA-N 1 0 240.738 1.566 10 0 BDAERO C[NH2+]C[C@H]1CCCN(c2ccc(C)cn2)C1 ZINC000040601881 536465833 /nfs/dbraw/zinc/46/58/33/536465833.db2.gz RIYJCFBKCZIFSC-GFCCVEGCSA-N 1 0 219.332 1.826 10 0 BDAERO C[NH2+]Cc1cc(N2CCSCC2)ccn1 ZINC000051437965 536468815 /nfs/dbraw/zinc/46/88/15/536468815.db2.gz UMMFAANQPIQCOT-UHFFFAOYSA-N 1 0 223.345 1.354 10 0 BDAERO C[NH2+]Cc1cc(F)ccc1N1CCOC[C@H]1C ZINC000035777659 536468862 /nfs/dbraw/zinc/46/88/62/536468862.db2.gz UWAVDNVWLNSIST-SNVBAGLBSA-N 1 0 238.306 1.770 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000307587976 527885358 /nfs/dbraw/zinc/88/53/58/527885358.db2.gz VRUZXDNTQRPJGO-GARJFASQSA-N 1 0 214.378 1.422 10 0 BDAERO CC1(C)[C@H]([NH2+]CCCCO)[C@@H]2CCO[C@@H]21 ZINC000232815797 535069683 /nfs/dbraw/zinc/06/96/83/535069683.db2.gz GDVONZVXLIQACI-AXFHLTTASA-N 1 0 213.321 1.162 10 0 BDAERO CCC[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000041300030 535159478 /nfs/dbraw/zinc/15/94/78/535159478.db2.gz CDLRNLADFUJTBH-UHFFFAOYSA-N 1 0 247.386 1.808 10 0 BDAERO CCC[C@@H](C(=O)N[C@@H](CO)CC(C)C)[NH+](C)C ZINC000179986865 535318059 /nfs/dbraw/zinc/31/80/59/535318059.db2.gz BNWXEFVAKQGNJO-NEPJUHHUSA-N 1 0 244.379 1.240 10 0 BDAERO CC1(C)CN(C(=O)c2ccc[nH]2)CC[C@@H]1[NH3+] ZINC000259092774 535349287 /nfs/dbraw/zinc/34/92/87/535349287.db2.gz QPGSPFXRZGETFI-JTQLQIEISA-N 1 0 221.304 1.214 10 0 BDAERO CC1(C)CN(C(=O)c2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000335905332 535350446 /nfs/dbraw/zinc/35/04/46/535350446.db2.gz ZTRKKXVYLDKWBY-LBPRGKRZSA-N 1 0 247.342 1.468 10 0 BDAERO CCC(C)(C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000134794889 535360469 /nfs/dbraw/zinc/36/04/69/535360469.db2.gz SBNIOPYTJCQRQA-UHFFFAOYSA-N 1 0 222.336 1.821 10 0 BDAERO CCC[C@H](C(=O)OCC)[N@H+](C)CC1CC(O)C1 ZINC000179471202 535585041 /nfs/dbraw/zinc/58/50/41/535585041.db2.gz DELZBAJTZRSAIJ-HTAVTVPLSA-N 1 0 243.347 1.421 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171880574 535589651 /nfs/dbraw/zinc/58/96/51/535589651.db2.gz PFAOYIKTLJKYBU-NWDGAFQWSA-N 1 0 224.348 1.729 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC2(CCC2)C1 ZINC000236948072 535653443 /nfs/dbraw/zinc/65/34/43/535653443.db2.gz OEFPVZMKCNKVEH-GHMZBOCLSA-N 1 0 224.348 1.762 10 0 BDAERO CCOC1CC([NH2+]C[C@@H]2CCC[C@@H]2O)C1 ZINC000162793169 535760028 /nfs/dbraw/zinc/76/00/28/535760028.db2.gz HYPBDVGXWMEKOD-XKGSQUFQSA-N 1 0 213.321 1.305 10 0 BDAERO CC[C@]1(C(=O)N[C@@H]2CCC[C@H]2OC)CC[NH2+]C1 ZINC000251279945 535882280 /nfs/dbraw/zinc/88/22/80/535882280.db2.gz QANVODCSAWMZDN-WZRBSPASSA-N 1 0 240.347 1.060 10 0 BDAERO C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000174982657 535888268 /nfs/dbraw/zinc/88/82/68/535888268.db2.gz KKINHPDKIXXTJF-CHWSQXEVSA-N 1 0 238.375 1.881 10 0 BDAERO CC[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178331094 535983710 /nfs/dbraw/zinc/98/37/10/535983710.db2.gz UAWRLEGHAPFLPF-OLZOCXBDSA-N 1 0 237.347 1.427 10 0 BDAERO CC[C@H]1CN(CC[NH2+]CCC(C)C)CCO1 ZINC000053382495 536148408 /nfs/dbraw/zinc/14/84/08/536148408.db2.gz ICURTHFBRAAFOA-ZDUSSCGKSA-N 1 0 228.380 1.733 10 0 BDAERO CC[C@H]1CO[C@H](C)CN1c1cc(N)cc[nH+]1 ZINC000043568957 536171544 /nfs/dbraw/zinc/17/15/44/536171544.db2.gz DSXPUMIIVJXSEQ-KOLCDFICSA-N 1 0 221.304 1.668 10 0 BDAERO C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2C ZINC000062806547 536350975 /nfs/dbraw/zinc/35/09/75/536350975.db2.gz ZNUXQBUKMBIKGH-VIFPVBQESA-N 1 0 218.300 1.876 10 0 BDAERO C[NH2+][C@H](C)CN1c2ccccc2CCC1=O ZINC000043995811 536389776 /nfs/dbraw/zinc/38/97/76/536389776.db2.gz KGHWHCMHIZZGNW-SNVBAGLBSA-N 1 0 218.300 1.574 10 0 BDAERO C[NH2+][C@H]1CCCN(c2cc(C)ccc2C(N)=O)C1 ZINC000053204986 536414781 /nfs/dbraw/zinc/41/47/81/536414781.db2.gz CREVVBTVBKAGAA-NSHDSACASA-N 1 0 247.342 1.282 10 0 BDAERO COCCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037232492 536590953 /nfs/dbraw/zinc/59/09/53/536590953.db2.gz OEKZGJSLAJXIQP-LBPRGKRZSA-N 1 0 248.326 1.720 10 0 BDAERO COC1(C[N@@H+]2CCS[C@@H](C)C2)CCC1 ZINC000336187705 536629286 /nfs/dbraw/zinc/62/92/86/536629286.db2.gz PPYAQJOLGXHHRV-JTQLQIEISA-N 1 0 215.362 1.993 10 0 BDAERO COC1(C[N@@H+]2CCO[C@H](C)[C@H]2C)CCC1 ZINC000336196154 536629814 /nfs/dbraw/zinc/62/98/14/536629814.db2.gz WIDZOSNEUADZMO-GHMZBOCLSA-N 1 0 213.321 1.665 10 0 BDAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000252712106 536878648 /nfs/dbraw/zinc/87/86/48/536878648.db2.gz LMDFWLUJWQQCOE-AEJSXWLSSA-N 1 0 224.308 1.126 10 0 BDAERO CCOc1cccc([C@@H]2C[NH2+]C[C@@]2(N)CC)c1 ZINC000725262844 538089472 /nfs/dbraw/zinc/08/94/72/538089472.db2.gz ZEESSATXXNMXMN-KBPBESRZSA-N 1 0 234.343 1.880 10 0 BDAERO C[C@@H]([NH3+])C1CN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC000719820410 566282072 /nfs/dbraw/zinc/28/20/72/566282072.db2.gz DCPOQAGYDPULMZ-RKDXNWHRSA-N 1 0 212.337 1.474 10 0 BDAERO CCc1cn2c(n1)[C@H](CSC)[NH2+]CCC2 ZINC000675068170 566366507 /nfs/dbraw/zinc/36/65/07/566366507.db2.gz NGFDQYBQCAACHQ-JTQLQIEISA-N 1 0 225.361 1.843 10 0 BDAERO CC[C@](C)(C[NH3+])[C@@H](O)c1cnsc1 ZINC000669377245 566385556 /nfs/dbraw/zinc/38/55/56/566385556.db2.gz LBIDOEYOQSXJNN-DTWKUNHWSA-N 1 0 200.307 1.552 10 0 BDAERO CC(=O)NC[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000669380688 566425676 /nfs/dbraw/zinc/42/56/76/566425676.db2.gz SYYPTHXFBODNRN-SRVKXCTJSA-N 1 0 210.321 1.291 10 0 BDAERO c1cc(-c2cnnn2[C@H]2CC[NH2+]C2)cs1 ZINC000685951973 566487179 /nfs/dbraw/zinc/48/71/79/566487179.db2.gz NEUMOQUDSGVKKB-VIFPVBQESA-N 1 0 220.301 1.541 10 0 BDAERO CCc1cnc([C@@H](O)[C@H](C)C[NH3+])s1 ZINC000394939148 583026658 /nfs/dbraw/zinc/02/66/58/583026658.db2.gz WHVYVXWVPSNPHG-SVRRBLITSA-N 1 0 200.307 1.334 10 0 BDAERO COCC(=O)N1c2ccccc2CCC[C@@H]1C[NH3+] ZINC000725262690 566308912 /nfs/dbraw/zinc/30/89/12/566308912.db2.gz LTLCHEZGIWJBPU-GFCCVEGCSA-N 1 0 248.326 1.330 10 0 BDAERO CC(C)n1nccc1[C@@H]1OCC[C@@H]1C[NH3+] ZINC000399822477 583210211 /nfs/dbraw/zinc/21/02/11/583210211.db2.gz XIPHJERSRVHYKP-MWLCHTKSSA-N 1 0 209.293 1.500 10 0 BDAERO CO[C@@H](C)C(=O)c1nc(C)c(C[NH3+])s1 ZINC000757125709 582500157 /nfs/dbraw/zinc/50/01/57/582500157.db2.gz SYSATEUFDLGPJJ-LURJTMIESA-N 1 0 214.290 1.128 10 0 BDAERO CCOCC(=O)c1nc(C)c(C[NH3+])s1 ZINC000757126943 582502197 /nfs/dbraw/zinc/50/21/97/582502197.db2.gz WVYIEQVBEHSVDJ-UHFFFAOYSA-N 1 0 214.290 1.129 10 0 BDAERO CC[C@@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757128344 582503370 /nfs/dbraw/zinc/50/33/70/582503370.db2.gz KOFVSVILGWRTBS-SSDOTTSWSA-N 1 0 200.307 1.396 10 0 BDAERO Cc1nc([C@@H](O)C(C)(C)F)sc1CC[NH3+] ZINC000757131713 582506371 /nfs/dbraw/zinc/50/63/71/582506371.db2.gz SKXDUCXWMNNTGY-MRVPVSSYSA-N 1 0 232.324 1.734 10 0 BDAERO CC[C@H](C)[C@@H](O)c1nc(C[NH2+]C)cs1 ZINC000757135007 582514125 /nfs/dbraw/zinc/51/41/25/582514125.db2.gz ZULKYPLBSGMUNS-IONNQARKSA-N 1 0 214.334 1.942 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1ccc(C(F)F)cn1 ZINC000757139369 582519681 /nfs/dbraw/zinc/51/96/81/582519681.db2.gz BDMBPRQALHKIHM-QMMMGPOBSA-N 1 0 213.231 1.557 10 0 BDAERO C1CCC2(C1)CNC1(C[C@H]3CC[C@@H](C1)[NH2+]3)OC2 ZINC000757140153 582520454 /nfs/dbraw/zinc/52/04/54/582520454.db2.gz JFXNBSHSIYRESF-ONXXMXGDSA-N 1 0 236.359 1.777 10 0 BDAERO [NH3+]C[C@@H]1CCN1Cc1cc(F)cc(F)c1 ZINC000757140711 582521016 /nfs/dbraw/zinc/52/10/16/582521016.db2.gz AVFJTOXPDRGLTC-NSHDSACASA-N 1 0 212.243 1.498 10 0 BDAERO CC(C)(C)[C@@H]1CNC2(CC[NH2+]CC2)OC1 ZINC000757142716 582523004 /nfs/dbraw/zinc/52/30/04/582523004.db2.gz DGHJVOBKULYNEM-SNVBAGLBSA-N 1 0 212.337 1.348 10 0 BDAERO CCC1(CC)C[NH2+][C@]2(CN3CCC2CC3)OC1 ZINC000757144752 582525378 /nfs/dbraw/zinc/52/53/78/582525378.db2.gz GPPIWBORZCQUJA-CQSZACIVSA-N 1 0 238.375 1.835 10 0 BDAERO CC1(C)CC[C@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757144443 582525746 /nfs/dbraw/zinc/52/57/46/582525746.db2.gz OBMBRCJBVMCBKK-LBPRGKRZSA-N 1 0 211.305 1.529 10 0 BDAERO Cc1cc(CC2([NH3+])COC2)ccc1Cl ZINC000757147995 582531844 /nfs/dbraw/zinc/53/18/44/582531844.db2.gz VEKGANZGPKSCJH-UHFFFAOYSA-N 1 0 211.692 1.919 10 0 BDAERO [NH3+]C[C@H]1CCN1c1nc(C(F)(F)F)ns1 ZINC000757153556 582538299 /nfs/dbraw/zinc/53/82/99/582538299.db2.gz UNDMXJUIHDNXKU-SCSAIBSYSA-N 1 0 238.238 1.094 10 0 BDAERO C[NH2+][C@@H](CO)CCSCc1occc1C ZINC000757165070 582546701 /nfs/dbraw/zinc/54/67/01/582546701.db2.gz DOZUTAAMNTUBNO-SNVBAGLBSA-N 1 0 229.345 1.792 10 0 BDAERO COC[C@@H](C[NH3+])SCc1occc1C ZINC000757166895 582547956 /nfs/dbraw/zinc/54/79/56/582547956.db2.gz SRZVJONNTDLWIS-SECBINFHSA-N 1 0 215.318 1.795 10 0 BDAERO Cc1ccoc1CS[C@H](C)[C@H]([NH3+])C(N)=O ZINC000757167913 582549318 /nfs/dbraw/zinc/54/93/18/582549318.db2.gz ZRHMBMJDKOTCON-APPZFPTMSA-N 1 0 228.317 1.022 10 0 BDAERO C[C@@H]1C[C@H]1c1cc2n(n1)[C@@H](C[NH3+])CCN2 ZINC000235297637 582549884 /nfs/dbraw/zinc/54/98/84/582549884.db2.gz PMVZXRKKIFPFDS-IWSPIJDZSA-N 1 0 206.293 1.322 10 0 BDAERO CCc1ccc(CSC[C@](C)([NH3+])CO)o1 ZINC000757170519 582550723 /nfs/dbraw/zinc/55/07/23/582550723.db2.gz QGDSJANALISATO-LLVKDONJSA-N 1 0 229.345 1.785 10 0 BDAERO Cc1c(C[NH3+])cnn1-c1ccc(O)cc1 ZINC000757170409 582550736 /nfs/dbraw/zinc/55/07/36/582550736.db2.gz ASVINEANSMKMOZ-UHFFFAOYSA-N 1 0 203.245 1.345 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)Nc2c(F)ccc(F)c21 ZINC000757175966 582552848 /nfs/dbraw/zinc/55/28/48/582552848.db2.gz QAVOLPAJQIPYBI-YFKPBYRVSA-N 1 0 212.199 1.349 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(N)cc1 ZINC000757185377 582554730 /nfs/dbraw/zinc/55/47/30/582554730.db2.gz TXGSXMZPYCAJHO-NWDGAFQWSA-N 1 0 234.299 1.135 10 0 BDAERO CC(=O)c1cccc([C@@H]2NCC[C@@H](C)[C@H]2[NH3+])c1 ZINC000757209827 582560032 /nfs/dbraw/zinc/56/00/32/582560032.db2.gz DBGXRVRFCXUMTL-FZQKWOKYSA-N 1 0 232.327 1.887 10 0 BDAERO CC(=O)c1cccc([C@@H]2NCC[C@H](C)[C@H]2[NH3+])c1 ZINC000757209836 582560274 /nfs/dbraw/zinc/56/02/74/582560274.db2.gz DBGXRVRFCXUMTL-FZZIBODNSA-N 1 0 232.327 1.887 10 0 BDAERO NC[C@H]1C[C@@H](c2ccc(C=O)s2)CC[NH2+]1 ZINC000757218618 582561774 /nfs/dbraw/zinc/56/17/74/582561774.db2.gz VIWITIWZQKFIFR-DTWKUNHWSA-N 1 0 224.329 1.355 10 0 BDAERO N[C@H]1C[NH2+]C[C@H](c2cccc3cc[nH]c32)C1 ZINC000757217810 582561978 /nfs/dbraw/zinc/56/19/78/582561978.db2.gz SNRCLOWWJLILMO-GHMZBOCLSA-N 1 0 215.300 1.572 10 0 BDAERO CC(=O)c1ccc([C@@H]2CC[NH2+][C@@H](CN)C2)cc1 ZINC000757216881 582562064 /nfs/dbraw/zinc/56/20/64/582562064.db2.gz QRVJTOUPOSEDHZ-ZIAGYGMSSA-N 1 0 232.327 1.684 10 0 BDAERO C[C@@H]1CCN[C@H](c2cccc(N)c2)[C@H]1[NH3+] ZINC000757218021 582562532 /nfs/dbraw/zinc/56/25/32/582562532.db2.gz USJVXNGEEJYDDB-JFUSQASVSA-N 1 0 205.305 1.267 10 0 BDAERO NC[C@H]1CC[C@@H](c2cccc(N)c2)C[NH2+]1 ZINC000757218552 582562763 /nfs/dbraw/zinc/56/27/63/582562763.db2.gz WABHZXWLJGDTIV-ZYHUDNBSSA-N 1 0 205.305 1.063 10 0 BDAERO C[C@@H]1CN2C(=[NH+]CC[C@H]2c2ccsc2)N1 ZINC000235435574 582580239 /nfs/dbraw/zinc/58/02/39/582580239.db2.gz BYKCKMBXKZXGJC-SCZZXKLOSA-N 1 0 221.329 1.843 10 0 BDAERO Cc1ccc([C@@H]2CC[NH+]=C(N)N2)cc1C ZINC000235881777 582618504 /nfs/dbraw/zinc/61/85/04/582618504.db2.gz IBSJFEQCWPYGPS-NSHDSACASA-N 1 0 203.289 1.653 10 0 BDAERO Fc1cccc([C@@H]2CCNC3=[NH+]CCN32)c1 ZINC000236223429 582641643 /nfs/dbraw/zinc/64/16/43/582641643.db2.gz VLVOIURWYFBRCG-NSHDSACASA-N 1 0 219.263 1.532 10 0 BDAERO [NH3+]C[C@@H]1CCNc2cc(C3CCCC3)nn21 ZINC000236225440 582641897 /nfs/dbraw/zinc/64/18/97/582641897.db2.gz MVDYKDYIINRJEE-JTQLQIEISA-N 1 0 220.320 1.856 10 0 BDAERO [NH3+]C[C@@H]1CCNc2cc(-c3cccs3)nn21 ZINC000236226318 582642615 /nfs/dbraw/zinc/64/26/15/582642615.db2.gz OJUKHPRSINFMDR-QMMMGPOBSA-N 1 0 234.328 1.927 10 0 BDAERO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(N)=O ZINC000107323276 582805220 /nfs/dbraw/zinc/80/52/20/582805220.db2.gz XXHVMMRVTQARIJ-LLVKDONJSA-N 1 0 240.734 1.940 10 0 BDAERO CCc1cnc([C@H](O)[C@@H](C)C[NH3+])s1 ZINC000394939147 583026829 /nfs/dbraw/zinc/02/68/29/583026829.db2.gz WHVYVXWVPSNPHG-POYBYMJQSA-N 1 0 200.307 1.334 10 0 BDAERO CC(C)n1nccc1[C@@H]1OCC[C@H]1C[NH3+] ZINC000395093777 583041320 /nfs/dbraw/zinc/04/13/20/583041320.db2.gz XIPHJERSRVHYKP-GXSJLCMTSA-N 1 0 209.293 1.500 10 0 BDAERO Cc1cnn(CC[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000223026910 583179698 /nfs/dbraw/zinc/17/96/98/583179698.db2.gz FDTDPDWMKMCPEO-AWEZNQCLSA-N 1 0 245.326 1.515 10 0 BDAERO FC(F)[C@@H]1CC[NH+]=C2N[C@@H]3CCCC[C@@H]3N21 ZINC000236125787 583210986 /nfs/dbraw/zinc/21/09/86/583210986.db2.gz HLSQARBKHPTUTI-VGMNWLOBSA-N 1 0 229.274 1.596 10 0 BDAERO [NH3+][C@H]1CCO[C@H]1c1ccnn1CC1CC1 ZINC000399875501 583214823 /nfs/dbraw/zinc/21/48/23/583214823.db2.gz FPVNXBNJCSHELP-GXSJLCMTSA-N 1 0 207.277 1.082 10 0 BDAERO O=C1NCCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000020050773 583612267 /nfs/dbraw/zinc/61/22/67/583612267.db2.gz WMEXLWRYSBUCOZ-CYBMUJFWSA-N 1 0 232.327 1.487 10 0 BDAERO c1cn2c([nH+]1)N[C@@H](c1ccccn1)CC2 ZINC000232456410 585031028 /nfs/dbraw/zinc/03/10/28/585031028.db2.gz YZEXRBLBFYNHKT-SNVBAGLBSA-N 1 0 200.245 1.835 10 0 BDAERO CC1(C(=O)c2nc(CC[NH3+])cs2)CC1 ZINC000757123991 586426619 /nfs/dbraw/zinc/42/66/19/586426619.db2.gz MRZKGARWIMJMAB-UHFFFAOYSA-N 1 0 210.302 1.627 10 0 BDAERO C[C@@H](F)C[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757129042 586426145 /nfs/dbraw/zinc/42/61/45/586426145.db2.gz KQDDLNSMCGTOFI-YPMHNXCESA-N 1 0 226.339 1.905 10 0 BDAERO c1ccc([C@H]2CCO[C@]3(CC[NH2+]C3)N2)cc1 ZINC000757139663 586427594 /nfs/dbraw/zinc/42/75/94/586427594.db2.gz IPGSYUYJIYFANZ-OLZOCXBDSA-N 1 0 218.300 1.427 10 0 BDAERO [NH3+]C[C@@H]1CCN1Cc1csc(Cl)c1 ZINC000757146846 586428989 /nfs/dbraw/zinc/42/89/89/586428989.db2.gz RSURHIGXRBXSHT-QMMMGPOBSA-N 1 0 216.737 1.935 10 0 BDAERO COC(=O)C[C@@](C)([NH3+])[C@H]1CCSC1 ZINC000757153023 586429563 /nfs/dbraw/zinc/42/95/63/586429563.db2.gz GHYICNMEWOGSCS-IONNQARKSA-N 1 0 203.307 1.020 10 0 BDAERO CC(C)(C)[C@@H]1C[NH2+]C2(CCOCC2)OC1 ZINC000757154150 586429621 /nfs/dbraw/zinc/42/96/21/586429621.db2.gz YZDQAOMKPKZEGM-SNVBAGLBSA-N 1 0 213.321 1.775 10 0 BDAERO Cc1cc(C[C@H]2C[NH2+]CC2=O)ccc1Cl ZINC000757161997 586432685 /nfs/dbraw/zinc/43/26/85/586432685.db2.gz ZCTFIZILUCSISS-JTQLQIEISA-N 1 0 223.703 1.979 10 0 BDAERO [NH3+]C[C@@H](O)CSCc1ccc(Cl)o1 ZINC000757169604 586433225 /nfs/dbraw/zinc/43/32/25/586433225.db2.gz JMLYPEDYPBPXDJ-ZCFIWIBFSA-N 1 0 221.709 1.486 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCCSC2 ZINC000757183436 586433876 /nfs/dbraw/zinc/43/38/76/586433876.db2.gz CCVCHBSAXFVROR-ONGXEEELSA-N 1 0 229.345 1.282 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@]12CCCOC2 ZINC000757184019 586434141 /nfs/dbraw/zinc/43/41/41/586434141.db2.gz GWBNMRQDURFYSA-MFKMUULPSA-N 1 0 241.331 1.344 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1cc[nH]c1 ZINC000757185860 586434220 /nfs/dbraw/zinc/43/42/20/586434220.db2.gz BAYOSEQWIZVVMX-QWRGUYRKSA-N 1 0 236.315 1.659 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccsc1 ZINC000757188884 586435106 /nfs/dbraw/zinc/43/51/06/586435106.db2.gz KZFQVCJTHOYHSC-VHSXEESVSA-N 1 0 225.313 1.614 10 0 BDAERO C[C@@H]1CCN[C@H](c2cccc(C=O)c2)[C@H]1[NH3+] ZINC000757207902 586437758 /nfs/dbraw/zinc/43/77/58/586437758.db2.gz BZHQVRBGQQKYKQ-JIMOISOXSA-N 1 0 218.300 1.497 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2ccc(C(=O)[O-])cc2)[NH2+]1 ZINC000757213350 586439366 /nfs/dbraw/zinc/43/93/66/586439366.db2.gz JPWTZLKDYHZUGS-OASPWFOLSA-N 1 0 248.326 1.773 10 0 BDAERO [NH3+][C@H]1CCCN[C@H]1c1cccc(C=O)c1 ZINC000757213445 586439807 /nfs/dbraw/zinc/43/98/07/586439807.db2.gz KFLYDZYUGRYZNT-RYUDHWBXSA-N 1 0 204.273 1.251 10 0 BDAERO CCc1cncc(SC[C@@H]2C[NH2+]CCO2)c1 ZINC000757213718 586439874 /nfs/dbraw/zinc/43/98/74/586439874.db2.gz QRSPTFJXJUYKLO-NSHDSACASA-N 1 0 238.356 1.725 10 0 BDAERO CC(=O)c1ccc([C@H]2CC[C@@H](CN)[NH2+]C2)cc1 ZINC000757215399 586440820 /nfs/dbraw/zinc/44/08/20/586440820.db2.gz NJSNLLNRFBCQGS-KBPBESRZSA-N 1 0 232.327 1.684 10 0 BDAERO C[C@@H]1C[C@H](c2cccc(C=O)c2)NC[C@H]1[NH3+] ZINC000757217210 586441147 /nfs/dbraw/zinc/44/11/47/586441147.db2.gz RIFOAGZGZQTXEI-OASPWFOLSA-N 1 0 218.300 1.497 10 0 BDAERO CCOC(=O)[C@H]1CCC[NH2+][C@@H]1c1cccc(N)c1 ZINC000757217140 586441271 /nfs/dbraw/zinc/44/12/71/586441271.db2.gz RFWJFLUUPUMVHZ-QWHCGFSZSA-N 1 0 248.326 1.873 10 0 BDAERO [NH3+]Cc1ccc([C@H]2CCC[C@@H](C(=O)[O-])[NH2+]2)cc1 ZINC000757220348 586442013 /nfs/dbraw/zinc/44/20/13/586442013.db2.gz YXTBIZVAHKDZGT-NEPJUHHUSA-N 1 0 234.299 1.413 10 0 BDAERO Cc1ccc(N)cc1[C@H]1CC[C@@H]([NH3+])CN1 ZINC000757236250 586443683 /nfs/dbraw/zinc/44/36/83/586443683.db2.gz NSAOPYPCUNZMRL-ZYHUDNBSSA-N 1 0 205.305 1.329 10 0 BDAERO CCn1cc([C@H]2C[C@@H](C(=O)OC)CC[NH2+]2)cn1 ZINC000757238198 586443818 /nfs/dbraw/zinc/44/38/18/586443818.db2.gz RVWHCONGPKXQGT-GXSJLCMTSA-N 1 0 237.303 1.117 10 0 BDAERO COCC[N@@H+]1CCN(C/C=C/Cl)C[C@@H]1C ZINC000105913956 588229402 /nfs/dbraw/zinc/22/94/02/588229402.db2.gz ZMXOVRORHSCKKZ-UFFNRZRYSA-N 1 0 232.755 1.391 10 0 BDAERO Cc1cc2c(ncnc2N2CC[C@@H](C[NH3+])C2)s1 ZINC000110779280 588696024 /nfs/dbraw/zinc/69/60/24/588696024.db2.gz FZNPQCZXFITRHN-VIFPVBQESA-N 1 0 248.355 1.785 10 0 BDAERO CCC[C@H](OC)c1noc(C[C@@H](C)[NH3+])n1 ZINC000124457458 590013604 /nfs/dbraw/zinc/01/36/04/590013604.db2.gz HRNOLNUVJPBHMX-SFYZADRCSA-N 1 0 213.281 1.447 10 0 BDAERO CNC(=O)[C@H]([NH2+]Cc1ccoc1)C(C)C ZINC000125033024 590114252 /nfs/dbraw/zinc/11/42/52/590114252.db2.gz ZXRRRYOLOULOAX-SNVBAGLBSA-N 1 0 210.277 1.140 10 0 BDAERO c1ccc(Cc2noc([C@H]3CCC[NH2+]C3)n2)nc1 ZINC000021014945 590163968 /nfs/dbraw/zinc/16/39/68/590163968.db2.gz XDFLFHPDZPGPSJ-JTQLQIEISA-N 1 0 244.298 1.522 10 0 BDAERO C[C@]1(CNc2cncc(Cl)n2)CCC[NH2+]C1 ZINC000126522820 590330896 /nfs/dbraw/zinc/33/08/96/590330896.db2.gz ZEBCDXBOARSDLP-NSHDSACASA-N 1 0 240.738 1.932 10 0 BDAERO C[C@@H]([NH2+]CC[S@@](C)=O)c1ccc(F)c(F)c1 ZINC000128676325 591147818 /nfs/dbraw/zinc/14/78/18/591147818.db2.gz YFNDMYZITUFEDO-BCTVWOGZSA-N 1 0 247.310 1.994 10 0 BDAERO CC[C@H](NC(=O)C[C@H]([NH3+])C1CC1)C(C)C ZINC000129838450 591412236 /nfs/dbraw/zinc/41/22/36/591412236.db2.gz AQXJBOPXZLJOLC-QWRGUYRKSA-N 1 0 212.337 1.665 10 0 BDAERO Cc1cnc(-c2noc([C@H]3CCC[NH2+]3)n2)nc1 ZINC000129844387 591414169 /nfs/dbraw/zinc/41/41/69/591414169.db2.gz BBUAJVLNVDJKCR-MRVPVSSYSA-N 1 0 231.259 1.260 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)n1ccnc1 ZINC000130051604 591432907 /nfs/dbraw/zinc/43/29/07/591432907.db2.gz PMGUQQMDXQZXRI-GHMZBOCLSA-N 1 0 234.303 1.020 10 0 BDAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)n3ccnc3)CC[C@@H]21 ZINC000130057279 591433241 /nfs/dbraw/zinc/43/32/41/591433241.db2.gz LLTQYHWIXTYCKA-NEPJUHHUSA-N 1 0 248.330 1.267 10 0 BDAERO CC(C)CNC(=S)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000130399602 591461123 /nfs/dbraw/zinc/46/11/23/591461123.db2.gz HDJRHIDYJYBNTF-QWRGUYRKSA-N 1 0 243.420 1.399 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)/C=C\c1ccco1 ZINC000214354543 591550162 /nfs/dbraw/zinc/55/01/62/591550162.db2.gz JMNHVDSEZYNXHQ-XRVBUDJMSA-N 1 0 208.261 1.146 10 0 BDAERO CO[C@@H](c1noc(C(C)(C)C[NH3+])n1)C1CC1 ZINC000131252389 591579272 /nfs/dbraw/zinc/57/92/72/591579272.db2.gz SFVCMDRMAVOFPV-MRVPVSSYSA-N 1 0 225.292 1.403 10 0 BDAERO C[C@H]1OCC[C@H]1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000134255566 591907118 /nfs/dbraw/zinc/90/71/18/591907118.db2.gz PYLPVIOCCUBFMN-WISYIIOYSA-N 1 0 240.347 1.188 10 0 BDAERO c1ccc(N2CCC[C@H]3[NH2+]CC[C@@H]32)nc1 ZINC000220005412 592272073 /nfs/dbraw/zinc/27/20/73/592272073.db2.gz HWHWVSCHTIJKBA-MNOVXSKESA-N 1 0 203.289 1.412 10 0 BDAERO CCN(C(=O)[C@@H](C)[NH2+]C)c1ccc(C)cc1 ZINC000054076863 635344161 /nfs/dbraw/zinc/34/41/61/635344161.db2.gz OVBKTUAAXXJMNT-LLVKDONJSA-N 1 0 220.316 1.956 10 0 BDAERO [NH3+]CCn1ncc2c1cccc2Br ZINC000075883825 631282090 /nfs/dbraw/zinc/28/20/90/631282090.db2.gz FPMPKNOUEWNPCI-UHFFFAOYSA-N 1 0 240.104 1.758 10 0 BDAERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C12CCC2 ZINC000308389807 631310061 /nfs/dbraw/zinc/31/00/61/631310061.db2.gz IJUMXEYDGPWKCF-ZDEQEGDKSA-N 1 0 239.359 1.837 10 0 BDAERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C12CCC2 ZINC000308389802 631310599 /nfs/dbraw/zinc/31/05/99/631310599.db2.gz IJUMXEYDGPWKCF-FVCCEPFGSA-N 1 0 239.359 1.837 10 0 BDAERO C1C[C@H](c2nc([C@H]3CCCOC3)no2)C[NH2+]1 ZINC000083720308 631428749 /nfs/dbraw/zinc/42/87/49/631428749.db2.gz SZIZKPAQCUSMPP-IUCAKERBSA-N 1 0 223.276 1.041 10 0 BDAERO [NH3+]C1CC(CNC(=O)NC2CCCCC2)C1 ZINC000084447340 631439989 /nfs/dbraw/zinc/43/99/89/631439989.db2.gz UCMNRMFKLSRBQU-UHFFFAOYSA-N 1 0 225.336 1.356 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1ccnc(N(C)C)n1 ZINC000085432130 631457991 /nfs/dbraw/zinc/45/79/91/631457991.db2.gz ZILGEQIQOOKMCQ-NSHDSACASA-N 1 0 249.362 1.121 10 0 BDAERO CCc1ccccc1NC(=O)C1CC([NH3+])C1 ZINC000258862561 631657470 /nfs/dbraw/zinc/65/74/70/631657470.db2.gz YQCWYVMLYTZFTN-UHFFFAOYSA-N 1 0 218.300 1.925 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1scnc1Cl ZINC000308972632 631770021 /nfs/dbraw/zinc/77/00/21/631770021.db2.gz FPFOYKPXXLEHDY-RXMQYKEDSA-N 1 0 233.724 1.264 10 0 BDAERO CCCC(=O)N1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC000309013186 631799784 /nfs/dbraw/zinc/79/97/84/631799784.db2.gz YFAHMANNUUTMBV-QWRGUYRKSA-N 1 0 210.321 1.197 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000309040367 631823426 /nfs/dbraw/zinc/82/34/26/631823426.db2.gz JJZGQDJTUPCNHA-UTUOFQBUSA-N 1 0 212.337 1.095 10 0 BDAERO O=C(/C=C\c1ccco1)NC[C@H]1CC[NH2+]C1 ZINC000309051189 631825911 /nfs/dbraw/zinc/82/59/11/631825911.db2.gz AAQNZVREKVZNJC-XOULXFPDSA-N 1 0 220.272 1.019 10 0 BDAERO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H](C)O ZINC000309054070 631833445 /nfs/dbraw/zinc/83/34/45/631833445.db2.gz SQPSYQFTOPCVTB-BJDJZHNGSA-N 1 0 215.337 1.551 10 0 BDAERO C[NH2+]CCc1noc(CCc2ccco2)n1 ZINC000051850862 631965209 /nfs/dbraw/zinc/96/52/09/631965209.db2.gz DYBLWHAEKZNMPN-UHFFFAOYSA-N 1 0 221.260 1.210 10 0 BDAERO CC[C@@H]1CN(C/C=C\Cl)CC[N@@H+]1C[C@H](C)O ZINC000255551130 632012538 /nfs/dbraw/zinc/01/25/38/632012538.db2.gz LWAKGQYWUKFBBZ-KBIXYVOKSA-N 1 0 246.782 1.516 10 0 BDAERO CS[C@@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000235134190 632038012 /nfs/dbraw/zinc/03/80/12/632038012.db2.gz ZPTILWIHOPBVQA-LMLFDSFASA-N 1 0 242.388 1.242 10 0 BDAERO CCOc1ccc(C(=O)NCC2CC([NH3+])C2)cc1 ZINC000091525237 632052554 /nfs/dbraw/zinc/05/25/54/632052554.db2.gz ISAVAXGUNKZSFD-UHFFFAOYSA-N 1 0 248.326 1.552 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC000091538176 632059777 /nfs/dbraw/zinc/05/97/77/632059777.db2.gz SCFXVCVDLZGDAW-UHFFFAOYSA-N 1 0 244.338 1.642 10 0 BDAERO CCC(C)(C)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000222592289 635732857 /nfs/dbraw/zinc/73/28/57/635732857.db2.gz OQWNQERCCFRNEM-NSHDSACASA-N 1 0 224.348 1.633 10 0 BDAERO C[C@H](C[NH3+])c1noc(Cc2ccsc2)n1 ZINC000054158878 635776068 /nfs/dbraw/zinc/77/60/68/635776068.db2.gz IXSPZDHLVNFEFY-SSDOTTSWSA-N 1 0 223.301 1.784 10 0 BDAERO C[C@H](C[NH3+])c1noc(Cc2ccco2)n1 ZINC000309520604 632468335 /nfs/dbraw/zinc/46/83/35/632468335.db2.gz ZYNSNOCZUFKHOZ-SSDOTTSWSA-N 1 0 207.233 1.316 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)n(C)n1 ZINC000309562723 632530963 /nfs/dbraw/zinc/53/09/63/632530963.db2.gz LMKXERRWPJCOEV-HBNTYKKESA-N 1 0 223.320 1.557 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)/C=C\C1CC1 ZINC000309583316 632550440 /nfs/dbraw/zinc/55/04/40/632550440.db2.gz UJFQDVUOKUEBGN-QIAMSNJGSA-N 1 0 208.305 1.196 10 0 BDAERO Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2CO)o1 ZINC000309717943 632655625 /nfs/dbraw/zinc/65/56/25/632655625.db2.gz UUTJGXPZDBKQLX-GHMZBOCLSA-N 1 0 224.304 1.624 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000309941761 632685634 /nfs/dbraw/zinc/68/56/34/632685634.db2.gz BYGQPBGVHROLLI-RKDXNWHRSA-N 1 0 219.288 1.422 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000309973453 632689058 /nfs/dbraw/zinc/68/90/58/632689058.db2.gz QZTIBDSEQMHLGN-BQBZGAKWSA-N 1 0 233.233 1.963 10 0 BDAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ncc[nH]1 ZINC000279113790 632691957 /nfs/dbraw/zinc/69/19/57/632691957.db2.gz WLEDFQOUCHAZNG-GUBZILKMSA-N 1 0 209.293 1.628 10 0 BDAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000310255083 632712048 /nfs/dbraw/zinc/71/20/48/632712048.db2.gz GKPSRBRWUZTEFG-RHYQMDGZSA-N 1 0 240.347 1.201 10 0 BDAERO C(c1noc(CC2CC[NH2+]CC2)n1)C1CCC1 ZINC000310389113 632733422 /nfs/dbraw/zinc/73/34/22/632733422.db2.gz FPXYWAWGNXOKOR-UHFFFAOYSA-N 1 0 235.331 1.954 10 0 BDAERO Cc1cc(N[C@H]2CCC[C@@H](O)C2)nc(N)[nH+]1 ZINC000309306108 632913656 /nfs/dbraw/zinc/91/36/56/632913656.db2.gz VRPODJYKHSSWHT-DTWKUNHWSA-N 1 0 222.292 1.083 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccco1 ZINC000309313501 632923645 /nfs/dbraw/zinc/92/36/45/632923645.db2.gz OREKORDRKSPNOT-IPFDCLDFSA-N 1 0 220.272 1.241 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(CC(F)(F)C(F)F)C[C@@H]12 ZINC000309361836 632972985 /nfs/dbraw/zinc/97/29/85/632972985.db2.gz OVTYIRAUBJYSQP-XLPZGREQSA-N 1 0 240.244 1.556 10 0 BDAERO C[NH2+]CCCc1nc(Cc2ccncc2)no1 ZINC000053129505 633005265 /nfs/dbraw/zinc/00/52/65/633005265.db2.gz NCTXCXGPLOEJQX-UHFFFAOYSA-N 1 0 232.287 1.207 10 0 BDAERO c1cc(Cc2noc(C3CC[NH2+]CC3)n2)ccn1 ZINC000053129601 633005485 /nfs/dbraw/zinc/00/54/85/633005485.db2.gz CTHXNKUNXSKYCU-UHFFFAOYSA-N 1 0 244.298 1.522 10 0 BDAERO OCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H]1O ZINC000704106555 633046444 /nfs/dbraw/zinc/04/64/44/633046444.db2.gz FZJQNHDXOQLQLP-OLZOCXBDSA-N 1 0 221.300 1.004 10 0 BDAERO C[C@@H](C[NH2+]Cc1ccoc1)N1CCOCC1 ZINC000163785758 633063027 /nfs/dbraw/zinc/06/30/27/633063027.db2.gz OYTVELATJYDUAL-NSHDSACASA-N 1 0 224.304 1.090 10 0 BDAERO CCCOc1ccnc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000164832886 633082651 /nfs/dbraw/zinc/08/26/51/633082651.db2.gz BZKYWCNNRHZBRE-SNVBAGLBSA-N 1 0 236.319 1.287 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@]12CC(C)(C)OC2(C)C ZINC000166450659 633113212 /nfs/dbraw/zinc/11/32/12/633113212.db2.gz QYOWGGSUKXXHLF-NOZJJQNGSA-N 1 0 241.331 1.343 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(C)c1C ZINC000166505431 633115207 /nfs/dbraw/zinc/11/52/07/633115207.db2.gz HLZYAAOPKQCYNB-CHWSQXEVSA-N 1 0 233.311 1.779 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)c(C)c1 ZINC000166504535 633115387 /nfs/dbraw/zinc/11/53/87/633115387.db2.gz DTVZAOWRBBFCHK-CHWSQXEVSA-N 1 0 233.311 1.779 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000166589815 633117015 /nfs/dbraw/zinc/11/70/15/633117015.db2.gz ALCQUDZOOLISGM-RYUDHWBXSA-N 1 0 237.274 1.692 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C ZINC000166615338 633119177 /nfs/dbraw/zinc/11/91/77/633119177.db2.gz GPEYFCSFEXWRCC-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000166614861 633119903 /nfs/dbraw/zinc/11/99/03/633119903.db2.gz JHIPIHFHCQEHKS-OLZOCXBDSA-N 1 0 233.311 1.861 10 0 BDAERO CCC1([NH3+])CCN(c2ccc(C#N)cn2)CC1 ZINC000167024777 633123242 /nfs/dbraw/zinc/12/32/42/633123242.db2.gz YTAKFPUGXNGBJJ-UHFFFAOYSA-N 1 0 230.315 1.661 10 0 BDAERO Cc1cnc(-c2noc([C@@H]3CC[C@@H]([NH3+])C3)n2)nc1 ZINC000167209409 633125380 /nfs/dbraw/zinc/12/53/80/633125380.db2.gz UPFAGOLEEZWBEJ-RKDXNWHRSA-N 1 0 245.286 1.430 10 0 BDAERO C[C@@H]1CCN(c2cncc(Cl)n2)C[C@@H]1C[NH3+] ZINC000167684924 633132022 /nfs/dbraw/zinc/13/20/22/633132022.db2.gz GFTJJIVSXLTONP-BDAKNGLRSA-N 1 0 240.738 1.551 10 0 BDAERO CC1(c2noc(CC[C@H]3CCC[NH2+]3)n2)CC1 ZINC000309558559 633199631 /nfs/dbraw/zinc/19/96/31/633199631.db2.gz KHUUEGNFMSQWQE-SECBINFHSA-N 1 0 221.304 1.806 10 0 BDAERO OC[C@H]([NH2+]C[C@H]1Cc2ccccc21)C1CC1 ZINC000309563752 633200911 /nfs/dbraw/zinc/20/09/11/633200911.db2.gz KEVOYHOFBHQFCW-OCCSQVGLSA-N 1 0 217.312 1.687 10 0 BDAERO CC[C@H]1C[C@@H](C[NH2+]C2CC(OC)C2)CCO1 ZINC000309621001 633213634 /nfs/dbraw/zinc/21/36/34/633213634.db2.gz DICPCSXGSUKABO-QCXCNERSSA-N 1 0 227.348 1.959 10 0 BDAERO C[C@H]([NH3+])CN(C)c1cncc(Br)c1 ZINC000306364488 635965115 /nfs/dbraw/zinc/96/51/15/635965115.db2.gz CWGPPRDVVWBQAM-ZETCQYMHSA-N 1 0 244.136 1.628 10 0 BDAERO CC[N@@H+]1CC[C@H](Nc2cc(F)ncn2)C1 ZINC000306659390 635971021 /nfs/dbraw/zinc/97/10/21/635971021.db2.gz OWKAHHJYBHLJEC-QMMMGPOBSA-N 1 0 210.256 1.122 10 0 BDAERO Cc1nsc(N2C[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000306984255 635978336 /nfs/dbraw/zinc/97/83/36/635978336.db2.gz UZRZCIRSFYJBOO-SSDOTTSWSA-N 1 0 212.322 1.020 10 0 BDAERO CSCc1cnc(C[NH2+][C@@H](C)[C@@H](C)O)s1 ZINC000339398202 636070893 /nfs/dbraw/zinc/07/08/93/636070893.db2.gz CMMAVXMPQSZPTI-JGVFFNPUSA-N 1 0 246.401 1.865 10 0 BDAERO COCCCCc1nc([C@@H](C)C[NH3+])no1 ZINC000309813354 633770010 /nfs/dbraw/zinc/77/00/10/633770010.db2.gz USZPOSZOVMQDTB-QMMMGPOBSA-N 1 0 213.281 1.101 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000309941760 633965686 /nfs/dbraw/zinc/96/56/86/633965686.db2.gz BYGQPBGVHROLLI-IUCAKERBSA-N 1 0 219.288 1.422 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000309977863 634012820 /nfs/dbraw/zinc/01/28/20/634012820.db2.gz UOUDXERZRSOONW-RBXMUDONSA-N 1 0 241.253 1.455 10 0 BDAERO C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)[C@H](C)O ZINC000309981677 634024051 /nfs/dbraw/zinc/02/40/51/634024051.db2.gz WIEUQTLEVMQETM-BDAKNGLRSA-N 1 0 219.288 1.422 10 0 BDAERO [NH3+]C1CC(C(=O)Nc2ccc(F)cc2F)C1 ZINC000258646298 635179900 /nfs/dbraw/zinc/17/99/00/635179900.db2.gz FPXOQTMEUJWTJU-UHFFFAOYSA-N 1 0 226.226 1.641 10 0 BDAERO Cc1ccccc1CN(C)C(=O)C1CC([NH3+])C1 ZINC000258702818 635191099 /nfs/dbraw/zinc/19/10/99/635191099.db2.gz LJHIGFHRASUXKW-UHFFFAOYSA-N 1 0 232.327 1.691 10 0 BDAERO [NH3+]C1CC(C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000258729725 635193224 /nfs/dbraw/zinc/19/32/24/635193224.db2.gz NXZZGZVXRMENSE-UHFFFAOYSA-N 1 0 240.253 1.318 10 0 BDAERO Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)cs1 ZINC000336655977 635201208 /nfs/dbraw/zinc/20/12/08/635201208.db2.gz OEANNUJMRSWFJT-GJMOJQLCSA-N 1 0 214.334 1.871 10 0 BDAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccccn1 ZINC000399046155 635207080 /nfs/dbraw/zinc/20/70/80/635207080.db2.gz UQTVETTWUSVCHO-GFCCVEGCSA-N 1 0 249.358 1.189 10 0 BDAERO Cc1cc(NC(=O)C2CC([NH3+])C2)ccc1F ZINC000258836945 635209593 /nfs/dbraw/zinc/20/95/93/635209593.db2.gz ZSQHLAANEKBKNO-UHFFFAOYSA-N 1 0 222.263 1.810 10 0 BDAERO C[C@@H](NC(=O)C1CC([NH3+])C1)c1ccccc1 ZINC000258840490 635211629 /nfs/dbraw/zinc/21/16/29/635211629.db2.gz WRDUCQRECJHCNI-OIKLOGQESA-N 1 0 218.300 1.601 10 0 BDAERO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)[C@H](C)O ZINC000336742021 635255481 /nfs/dbraw/zinc/25/54/81/635255481.db2.gz NWGJYSLEWCAVGK-KOLCDFICSA-N 1 0 225.336 1.631 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[C@H]1O ZINC000336752790 635258367 /nfs/dbraw/zinc/25/83/67/635258367.db2.gz HCUYNFGEVKBFGY-IJLUTSLNSA-N 1 0 215.337 1.551 10 0 BDAERO Cc1ccncc1CCC[NH2+][C@H](C)[C@@H](C)O ZINC000336781717 635282337 /nfs/dbraw/zinc/28/23/37/635282337.db2.gz VJIMQEKLBJFVHC-VXGBXAGGSA-N 1 0 222.332 1.682 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000336762232 635285134 /nfs/dbraw/zinc/28/51/34/635285134.db2.gz NZXWMEYIHHGTGL-OYNCUSHFSA-N 1 0 209.293 1.146 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC1CCCCCCC1 ZINC000054071583 635343102 /nfs/dbraw/zinc/34/31/02/635343102.db2.gz INIMGEGLOSYDNA-SNVBAGLBSA-N 1 0 212.337 1.823 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@@H]2Cc3ccccc3O2)n1 ZINC000054158623 635775000 /nfs/dbraw/zinc/77/50/00/635775000.db2.gz DMHKZMHCHPCANW-KWQFWETISA-N 1 0 245.282 1.808 10 0 BDAERO CCC(=O)NC[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000669380580 636581304 /nfs/dbraw/zinc/58/13/04/636581304.db2.gz ROUUOKDFXAYCSH-WOPDTQHZSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H](Cc1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000237347745 636716569 /nfs/dbraw/zinc/71/65/69/636716569.db2.gz XVZBHLNHUZNBLA-NSHDSACASA-N 1 0 234.343 1.719 10 0 BDAERO Cc1nc(C2([NH3+])CCC(C)CC2)n(C)n1 ZINC000054499169 636744004 /nfs/dbraw/zinc/74/40/04/636744004.db2.gz VQFBFJMEPAFCOF-UHFFFAOYSA-N 1 0 208.309 1.488 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)C(C)(C)C ZINC000162006039 637137738 /nfs/dbraw/zinc/13/77/38/637137738.db2.gz XPEFGTPJXXKVPG-VHSXEESVSA-N 1 0 214.353 1.912 10 0 BDAERO COc1ccc([C@@H]2CC[NH+]=C(N)N2)cc1 ZINC000149611510 638738806 /nfs/dbraw/zinc/73/88/06/638738806.db2.gz HTLKVVRBTOVJEC-JTQLQIEISA-N 1 0 205.261 1.044 10 0 BDAERO C[C@@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)C1CC1 ZINC000129469335 640208270 /nfs/dbraw/zinc/20/82/70/640208270.db2.gz MWFZTAPEXPNZDO-SCZZXKLOSA-N 1 0 212.337 1.665 10 0 BDAERO Cn1nc(C(C)(C)C)nc1[C@@H]1CCC[NH2+]C1 ZINC000054698726 640304740 /nfs/dbraw/zinc/30/47/40/640304740.db2.gz SYTIMMSMVLDEOX-SECBINFHSA-N 1 0 222.336 1.580 10 0 BDAERO CC(C)c1nc(C2CC[NH2+]CC2)n(C)n1 ZINC000054697763 640305993 /nfs/dbraw/zinc/30/59/93/640305993.db2.gz VMCPHVLBDIBLQV-UHFFFAOYSA-N 1 0 208.309 1.406 10 0 BDAERO CC[C@H]([NH3+])c1nc(-c2cccs2)nn1C ZINC000054699871 640321055 /nfs/dbraw/zinc/32/10/55/640321055.db2.gz HPXRCXPRDGQWCR-ZETCQYMHSA-N 1 0 222.317 1.953 10 0 BDAERO C[C@@H]([NH2+]Cc1cncnc1)[C@@H]1CCCO1 ZINC000054767189 640407054 /nfs/dbraw/zinc/40/70/54/640407054.db2.gz FFOXFAFPCHISRE-KOLCDFICSA-N 1 0 207.277 1.134 10 0 BDAERO CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055089998 640432613 /nfs/dbraw/zinc/43/26/13/640432613.db2.gz YSVVOPNJKOLANB-TUAOUCFPSA-N 1 0 240.347 1.141 10 0 BDAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)CO ZINC000156757262 640497469 /nfs/dbraw/zinc/49/74/69/640497469.db2.gz BCCARXLMMMPDLN-TZMCWYRMSA-N 1 0 249.354 1.643 10 0 BDAERO CCCOc1ccnc(N[C@H]2CCC[NH2+]C2)n1 ZINC000164798290 640506656 /nfs/dbraw/zinc/50/66/56/640506656.db2.gz XWQJHMICLMALPL-JTQLQIEISA-N 1 0 236.319 1.429 10 0 BDAERO COC(=O)[C@](C)([NH3+])CCCn1cc(Cl)cn1 ZINC000045436612 640559759 /nfs/dbraw/zinc/55/97/59/640559759.db2.gz WFVGECZIFKWUKO-SNVBAGLBSA-N 1 0 245.710 1.207 10 0 BDAERO Fc1ccc(Cl)c(COC2C[NH2+]C2)c1 ZINC000165956692 640600666 /nfs/dbraw/zinc/60/06/66/640600666.db2.gz YSYGHVPGCRDRPD-UHFFFAOYSA-N 1 0 215.655 1.968 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)Nc2cccc(Cl)c21 ZINC000057939128 640649746 /nfs/dbraw/zinc/64/97/46/640649746.db2.gz ASPKVQBNRUOKAI-LURJTMIESA-N 1 0 210.664 1.725 10 0 BDAERO Cc1ccnc(N2CC[NH2+]C[C@@H]2C(C)C)n1 ZINC000083350837 640678759 /nfs/dbraw/zinc/67/87/59/640678759.db2.gz HRJLJVRETUSLHF-LLVKDONJSA-N 1 0 220.320 1.219 10 0 BDAERO CC(C)Cc1nc([C@H]([NH3+])C(C)C)n(C)n1 ZINC000054698981 640711186 /nfs/dbraw/zinc/71/11/86/640711186.db2.gz JNEMQCZYTRRGHD-SNVBAGLBSA-N 1 0 210.325 1.669 10 0 BDAERO C[C@@H]([NH2+]CC[S@@](C)=O)c1cncc(F)c1 ZINC000167820580 640750002 /nfs/dbraw/zinc/75/00/02/640750002.db2.gz VIYYBJLFZVIJLZ-GLEZIHRCSA-N 1 0 230.308 1.250 10 0 BDAERO OC1CC(C[NH2+][C@H]2CCc3cccnc32)C1 ZINC000226823656 640796257 /nfs/dbraw/zinc/79/62/57/640796257.db2.gz NABQHIFUGQLLHY-NHNAUAITSA-N 1 0 218.300 1.429 10 0 BDAERO CC(C)CCC[C@@H](C)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226835658 640799512 /nfs/dbraw/zinc/79/95/12/640799512.db2.gz BPOHIRHQWUXACO-UTUOFQBUSA-N 1 0 242.363 1.040 10 0 BDAERO CO[C@H](c1noc(CC[NH2+]C(C)C)n1)C1CC1 ZINC000227332993 640827986 /nfs/dbraw/zinc/82/79/86/640827986.db2.gz CJYAXRITKGIEOO-NSHDSACASA-N 1 0 239.319 1.708 10 0 BDAERO [NH3+][C@@H]1CC[C@H](CNc2ncc(Cl)cn2)C1 ZINC000227650052 640844156 /nfs/dbraw/zinc/84/41/56/640844156.db2.gz QIASGOKSCVKKGJ-IONNQARKSA-N 1 0 226.711 1.669 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000227911220 640853420 /nfs/dbraw/zinc/85/34/20/640853420.db2.gz UBJOVYJYZLQAIC-LBPRGKRZSA-N 1 0 246.395 1.081 10 0 BDAERO C[C@@H]1OCC[C@]1(O)C[NH2+]CCc1ccccc1 ZINC000228095201 640860645 /nfs/dbraw/zinc/86/06/45/640860645.db2.gz ZOFYQSHYKOWNGY-JSGCOSHPSA-N 1 0 235.327 1.359 10 0 BDAERO CCCOc1ccnc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000228269557 640867595 /nfs/dbraw/zinc/86/75/95/640867595.db2.gz PDMVHMBPMBNFMW-VHSXEESVSA-N 1 0 238.335 1.803 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(C2(C)CC2)no1 ZINC000087548387 640922165 /nfs/dbraw/zinc/92/21/65/640922165.db2.gz HWOOQIKBIVQBIP-HTQZYQBOSA-N 1 0 207.277 1.444 10 0 BDAERO C[S@](=O)CCC[NH2+]CCc1ccccc1 ZINC000229105271 640923242 /nfs/dbraw/zinc/92/32/42/640923242.db2.gz DPBAMKKWEAVYBZ-HNNXBMFYSA-N 1 0 225.357 1.587 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc(CC2CC2)no1 ZINC000087580429 640932813 /nfs/dbraw/zinc/93/28/13/640932813.db2.gz WBVZOXWWNAVHIX-VHSXEESVSA-N 1 0 221.304 1.865 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1C1CCCCC1 ZINC000229216769 640934254 /nfs/dbraw/zinc/93/42/54/640934254.db2.gz XLPXDMPIFMPUIR-VXGBXAGGSA-N 1 0 225.332 1.965 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)o1 ZINC000229220198 640934643 /nfs/dbraw/zinc/93/46/43/640934643.db2.gz TZHORAWWQZBRAF-VHSXEESVSA-N 1 0 223.272 1.454 10 0 BDAERO Cc1nsc(NCc2ccc(CC[NH3+])cc2)n1 ZINC000087632624 640952878 /nfs/dbraw/zinc/95/28/78/640952878.db2.gz HINHZBPQKZGDFM-UHFFFAOYSA-N 1 0 248.355 1.960 10 0 BDAERO COc1cc2c(cc1OC)OC[C@H]([C@H](C)[NH3+])C2 ZINC000675064114 640961230 /nfs/dbraw/zinc/96/12/30/640961230.db2.gz VTOGLCPRHKOXNC-WCBMZHEXSA-N 1 0 237.299 1.602 10 0 BDAERO C1CS[C@@H](c2noc([C@H]3CC[NH2+]C3)n2)C1 ZINC000087700184 640978650 /nfs/dbraw/zinc/97/86/50/640978650.db2.gz SJCMLPFWRGUXMS-JGVFFNPUSA-N 1 0 225.317 1.715 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cccc(O)c1 ZINC000061883851 641002652 /nfs/dbraw/zinc/00/26/52/641002652.db2.gz IJICLSUWCXWJCG-WCQYABFASA-N 1 0 248.326 1.178 10 0 BDAERO Fc1ccc(Cc2noc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000062119645 641024141 /nfs/dbraw/zinc/02/41/41/641024141.db2.gz SDOFXOPXAALKSJ-JTQLQIEISA-N 1 0 247.273 1.876 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[NH2+]C2)s1 ZINC000062116472 641024144 /nfs/dbraw/zinc/02/41/44/641024144.db2.gz DACKFONRNBUCKB-ZJUUUORDSA-N 1 0 238.356 1.843 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)c1ccc2c(c1)CCO2 ZINC000063169989 641142538 /nfs/dbraw/zinc/14/25/38/641142538.db2.gz PGXXYSVGYLGKQT-SECBINFHSA-N 1 0 234.299 1.089 10 0 BDAERO CS[C@@H](CO)[C@H](C)[NH2+]CCc1ccccc1 ZINC000232010748 641228219 /nfs/dbraw/zinc/22/82/19/641228219.db2.gz FMIKEWPJVLJBDA-AAEUAGOBSA-N 1 0 239.384 1.931 10 0 BDAERO CC(C)(CO)C[NH2+]CCc1ccccc1 ZINC000088170148 641320605 /nfs/dbraw/zinc/32/06/05/641320605.db2.gz LSKROCABAHKPNL-UHFFFAOYSA-N 1 0 207.317 1.837 10 0 BDAERO CC(C)[C@@H](C)NC(=O)Nc1nc(C[NH3+])cs1 ZINC000675074293 641324851 /nfs/dbraw/zinc/32/48/51/641324851.db2.gz ZQDIVAUBYSGETL-SSDOTTSWSA-N 1 0 242.348 1.768 10 0 BDAERO CCCCCCNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040632370 641534157 /nfs/dbraw/zinc/53/41/57/641534157.db2.gz BNMMJQBJIKHYTN-GHMZBOCLSA-N 1 0 228.336 1.060 10 0 BDAERO CC[C@@H]([NH2+]C[C@H](O)COC(C)C)C(C)C ZINC000042588391 641555705 /nfs/dbraw/zinc/55/57/05/641555705.db2.gz RZERLYGVNKAFRM-NWDGAFQWSA-N 1 0 217.353 1.797 10 0 BDAERO CCCc1noc(CC[C@@H]2CCC[NH2+]C2)n1 ZINC000043586499 641567817 /nfs/dbraw/zinc/56/78/17/641567817.db2.gz TXCZFQYDMJSBCO-JTQLQIEISA-N 1 0 223.320 1.954 10 0 BDAERO C[C@H](C[NH3+])c1noc(CC2CCSCC2)n1 ZINC000157745821 641623253 /nfs/dbraw/zinc/62/32/53/641623253.db2.gz DMOPPRMISJFEKV-MRVPVSSYSA-N 1 0 241.360 1.818 10 0 BDAERO CCOCCCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089386751 641675667 /nfs/dbraw/zinc/67/56/67/641675667.db2.gz HGVWOJYHOZXXOK-NEPJUHHUSA-N 1 0 242.363 1.294 10 0 BDAERO CC(C)n1c2ncccc2nc1N1CC[NH2+]CC1 ZINC000075951591 641784528 /nfs/dbraw/zinc/78/45/28/641784528.db2.gz OGJNVYRTYOVKTP-UHFFFAOYSA-N 1 0 245.330 1.422 10 0 BDAERO CCC(=O)CC[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000190219298 641852728 /nfs/dbraw/zinc/85/27/28/641852728.db2.gz KLRKPRLFMJZTDP-GFCCVEGCSA-N 1 0 242.363 1.008 10 0 BDAERO COC(=O)/C(C)=C\C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324641773 641884541 /nfs/dbraw/zinc/88/45/41/641884541.db2.gz XPMCUBXOTOICQK-ABRRARGCSA-N 1 0 229.320 1.102 10 0 BDAERO CCC[C@H](OC)c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000233378354 642665914 /nfs/dbraw/zinc/66/59/14/642665914.db2.gz LWUURLOUUOXTKB-BBBLOLIVSA-N 1 0 239.319 1.880 10 0 BDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCF ZINC000306198056 642730089 /nfs/dbraw/zinc/73/00/89/642730089.db2.gz UJHYSTIKYKMAGY-WDEREUQCSA-N 1 0 200.301 1.515 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc2ncccc2c1 ZINC000069050875 642822412 /nfs/dbraw/zinc/82/24/12/642822412.db2.gz DARYKJYXTYGLPD-NSHDSACASA-N 1 0 202.257 1.617 10 0 BDAERO Cc1nonc1C[N@@H+]1CCC[C@H]1CCCO ZINC000069795746 642911779 /nfs/dbraw/zinc/91/17/79/642911779.db2.gz RQOUPCPQFOWYCJ-JTQLQIEISA-N 1 0 225.292 1.115 10 0 BDAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ncc[nH]1 ZINC000279113794 643032407 /nfs/dbraw/zinc/03/24/07/643032407.db2.gz WLEDFQOUCHAZNG-LPEHRKFASA-N 1 0 209.293 1.628 10 0 BDAERO CCN(c1ncccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000070901442 643080739 /nfs/dbraw/zinc/08/07/39/643080739.db2.gz OBGMIDGDVRSRCS-SECBINFHSA-N 1 0 225.723 1.923 10 0 BDAERO CCN(c1cc(C)ccn1)[C@@H]1CC[NH2+]C1 ZINC000070901182 643080921 /nfs/dbraw/zinc/08/09/21/643080921.db2.gz BUGSCUHIHRNFFO-LLVKDONJSA-N 1 0 205.305 1.578 10 0 BDAERO C[C@@H](NC(=O)CCCCCC[NH3+])[C@H]1CCCO1 ZINC000035734927 643115072 /nfs/dbraw/zinc/11/50/72/643115072.db2.gz CTIRFPVFWBMMBY-VXGBXAGGSA-N 1 0 242.363 1.579 10 0 BDAERO CCN(c1ncnc2c1CCC2)[C@@H]1CC[NH2+]C1 ZINC000071314254 643125540 /nfs/dbraw/zinc/12/55/40/643125540.db2.gz LRCMEZVZOCXVOY-SNVBAGLBSA-N 1 0 232.331 1.154 10 0 BDAERO CNC(=O)[C@H]([NH2+]C[Si](C)(C)C)C(C)C ZINC000183679272 643155255 /nfs/dbraw/zinc/15/52/55/643155255.db2.gz HRXOHQPVDBMWKZ-SECBINFHSA-N 1 0 216.401 1.224 10 0 BDAERO Nc1cc[nH+]c(-c2cc(N)nc3[nH]ccc32)c1 ZINC000072120727 643213287 /nfs/dbraw/zinc/21/32/87/643213287.db2.gz YAUCJKAWSFNKCQ-UHFFFAOYSA-N 1 0 225.255 1.789 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H]1CC1(Cl)Cl ZINC000306484131 643329051 /nfs/dbraw/zinc/32/90/51/643329051.db2.gz NCCLRZFJSISAPL-BWZBUEFSSA-N 1 0 224.131 1.947 10 0 BDAERO CC[NH+]1CCC2(CC1)NCC[C@H](C(F)F)O2 ZINC000757149051 643333963 /nfs/dbraw/zinc/33/39/63/643333963.db2.gz VUYUBRWEQRLORE-SECBINFHSA-N 1 0 234.290 1.442 10 0 BDAERO CC[C@@H](C)c1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000082561144 643342858 /nfs/dbraw/zinc/34/28/58/643342858.db2.gz PWOJKVOPZPBXFI-BDAKNGLRSA-N 1 0 209.293 1.878 10 0 BDAERO C[C@@H]1CC(C)(C)O[C@]2(CCSC2)[NH2+]1 ZINC000757154187 643345883 /nfs/dbraw/zinc/34/58/83/643345883.db2.gz ZHVNRLHDTJMBED-SCZZXKLOSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ncccc1C(F)(F)F ZINC000082592566 643351026 /nfs/dbraw/zinc/35/10/26/643351026.db2.gz JUZZRILBANMGEE-SSDOTTSWSA-N 1 0 233.237 1.884 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccncc1 ZINC000757191319 643362799 /nfs/dbraw/zinc/36/27/99/643362799.db2.gz UETCVGJSJFZROS-VXGBXAGGSA-N 1 0 248.326 1.726 10 0 BDAERO C[C@@H]1N[C@H](c2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000757211077 643371888 /nfs/dbraw/zinc/37/18/88/643371888.db2.gz FTRVCMCNEZFCAU-UWJYBYFXSA-N 1 0 205.305 1.409 10 0 BDAERO [NH3+][C@@H]1CCN([C@H]2C[C@H]2c2ccccc2)C1 ZINC000250820555 643376157 /nfs/dbraw/zinc/37/61/57/643376157.db2.gz RVVLAKYTNMYFKE-AGIUHOORSA-N 1 0 202.301 1.576 10 0 BDAERO C[C@@H]1CN2C(=[NH+]CC[C@@H]2c2ccncc2)N1 ZINC000235434656 643391693 /nfs/dbraw/zinc/39/16/93/643391693.db2.gz WJDDQTZWMKWWTP-MWLCHTKSSA-N 1 0 216.288 1.176 10 0 BDAERO C[C@@H](O)CC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000082995996 643397431 /nfs/dbraw/zinc/39/74/31/643397431.db2.gz UDAWABPDRLUNNL-SKDRFNHKSA-N 1 0 243.734 1.734 10 0 BDAERO C[C@H](C[C@H](C)[NH3+])Nc1cncc(Cl)n1 ZINC000307269077 643425516 /nfs/dbraw/zinc/42/55/16/643425516.db2.gz MEABRYBHLDMKJY-NKWVEPMBSA-N 1 0 214.700 1.668 10 0 BDAERO O=C(n1ccnc1)N1CC[NH+](C2CCCC2)CC1 ZINC000083433877 643451990 /nfs/dbraw/zinc/45/19/90/643451990.db2.gz QJPFNNYECJMEKF-UHFFFAOYSA-N 1 0 248.330 1.411 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000083465182 643453874 /nfs/dbraw/zinc/45/38/74/643453874.db2.gz OSXSCKDASYHMDW-LLVKDONJSA-N 1 0 243.734 1.734 10 0 BDAERO CNC(=O)[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(C)C ZINC000336761089 643461532 /nfs/dbraw/zinc/46/15/32/643461532.db2.gz KEAGOBYOFXISHL-IJLUTSLNSA-N 1 0 224.348 1.535 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]Cc1nc(Br)c[nH]1 ZINC000307560048 643501994 /nfs/dbraw/zinc/50/19/94/643501994.db2.gz HBESPTMKQQGYNW-WDSKDSINSA-N 1 0 230.109 1.670 10 0 BDAERO CCN(c1ccc(F)cn1)[C@@H]1CC[NH2+]C1 ZINC000082425348 643510133 /nfs/dbraw/zinc/51/01/33/643510133.db2.gz QGYLPAYEPKBNSL-SNVBAGLBSA-N 1 0 209.268 1.409 10 0 BDAERO Cc1nn2c(c1C)NC[C@@H]1C[NH2+]CC[C@@H]12 ZINC000236005775 643569056 /nfs/dbraw/zinc/56/90/56/643569056.db2.gz SSIDYWKBGOIUNF-UWVGGRQHSA-N 1 0 206.293 1.076 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CC2(O)CCCC2)C1 ZINC000083587308 643589278 /nfs/dbraw/zinc/58/92/78/643589278.db2.gz JEDOACLYCBQLMX-GFCCVEGCSA-N 1 0 225.332 1.593 10 0 BDAERO C[NH2+]C[C@H]1CCCN(c2nc(C)ns2)C1 ZINC000083648989 643602598 /nfs/dbraw/zinc/60/25/98/643602598.db2.gz UNOIMMPSBKGAFN-SECBINFHSA-N 1 0 226.349 1.282 10 0 BDAERO C1[NH2+]CC1O[C@H]1CCOC2(CCCC2)C1 ZINC000086905263 643644346 /nfs/dbraw/zinc/64/43/46/643644346.db2.gz LZMMBHLJKKCAPJ-JTQLQIEISA-N 1 0 211.305 1.467 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000084301889 643655486 /nfs/dbraw/zinc/65/54/86/643655486.db2.gz DNLXMQZPRCEMSA-MVWJERBFSA-N 1 0 224.348 1.666 10 0 BDAERO C1=CO[C@@H](C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC000050269442 643673104 /nfs/dbraw/zinc/67/31/04/643673104.db2.gz VNEPHLBMDRCLLU-NWDGAFQWSA-N 1 0 211.305 1.838 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCCCCC2)C1 ZINC000085009608 643678770 /nfs/dbraw/zinc/67/87/70/643678770.db2.gz VHSDCTKITORGHB-NEPJUHHUSA-N 1 0 224.348 1.907 10 0 BDAERO CC[C@@H](C)c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000085617378 643764076 /nfs/dbraw/zinc/76/40/76/643764076.db2.gz RYDXYPQZKOIAJU-RKDXNWHRSA-N 1 0 225.292 1.114 10 0 BDAERO CC[C@@H](O)CC[NH2+]CCc1ccccc1 ZINC000079272120 644168002 /nfs/dbraw/zinc/16/80/02/644168002.db2.gz FONDLUJPMICILG-CYBMUJFWSA-N 1 0 207.317 1.980 10 0 BDAERO Cc1ccc(N)cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000193472395 644245619 /nfs/dbraw/zinc/24/56/19/644245619.db2.gz CRYHOHRVNHUYMM-VIFPVBQESA-N 1 0 219.288 1.125 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCCSC(F)(F)F ZINC000195170177 644366319 /nfs/dbraw/zinc/36/63/19/644366319.db2.gz LRSZTJMJKFJKNX-LURJTMIESA-N 1 0 244.282 1.483 10 0 BDAERO Cc1cc(N[C@@H]2CCCC[C@@H]2O)nc(N)[nH+]1 ZINC000082322677 644369407 /nfs/dbraw/zinc/36/94/07/644369407.db2.gz AXJVENCQZIPWCJ-BDAKNGLRSA-N 1 0 222.292 1.083 10 0 BDAERO CC(C)(C)Cc1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000084380330 644423514 /nfs/dbraw/zinc/42/35/14/644423514.db2.gz XLYHOASOCRSSKH-SECBINFHSA-N 1 0 223.320 1.810 10 0 BDAERO CC(C)(O)CC[NH2+]CCc1ccccc1 ZINC000086235055 644459503 /nfs/dbraw/zinc/45/95/03/644459503.db2.gz HJMMVYDDLXOERK-UHFFFAOYSA-N 1 0 207.317 1.980 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000685946287 644517878 /nfs/dbraw/zinc/51/78/78/644517878.db2.gz NCZNFOVODVZZLY-NWDGAFQWSA-N 1 0 208.280 1.620 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NOCc1ccccc1 ZINC000089482206 644553706 /nfs/dbraw/zinc/55/37/06/644553706.db2.gz OLRZJKFRVUNMGN-QWHCGFSZSA-N 1 0 248.326 1.609 10 0 BDAERO CC[C@@H]1CN(C/C=C/Cl)CC[N@@H+]1C[C@H](C)O ZINC000247154741 644624058 /nfs/dbraw/zinc/62/40/58/644624058.db2.gz LWAKGQYWUKFBBZ-RUULKOMLSA-N 1 0 246.782 1.516 10 0 BDAERO COc1cccc(C(=O)NCC2CC([NH3+])C2)c1 ZINC000091524148 644627142 /nfs/dbraw/zinc/62/71/42/644627142.db2.gz MDAFZFZZTJDUSH-UHFFFAOYSA-N 1 0 234.299 1.162 10 0 BDAERO CN(C)c1cccc(C(=O)NCC2CC([NH3+])C2)c1 ZINC000091525764 644629182 /nfs/dbraw/zinc/62/91/82/644629182.db2.gz HOMKMVYJVMAARY-UHFFFAOYSA-N 1 0 247.342 1.220 10 0 BDAERO c1nc2c(c(N3CC[C@H]4C[NH2+]C[C@H]43)n1)CCCC2 ZINC000094872412 644733197 /nfs/dbraw/zinc/73/31/97/644733197.db2.gz DASHRZTVAXZTML-GXFFZTMASA-N 1 0 244.342 1.154 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(-c2ncc[nH]2)no1 ZINC000094937367 644733964 /nfs/dbraw/zinc/73/39/64/644733964.db2.gz YCWDMYWBAKDLSH-DTWKUNHWSA-N 1 0 247.302 1.692 10 0 BDAERO [NH3+][C@@H](CCO)c1ccc(Br)nc1 ZINC000095638743 644761995 /nfs/dbraw/zinc/76/19/95/644761995.db2.gz YFGWNCAQHZXRDA-ZETCQYMHSA-N 1 0 231.093 1.226 10 0 BDAERO [NH3+][C@@H](CCO)c1c(Cl)cncc1Cl ZINC000095638835 644762197 /nfs/dbraw/zinc/76/21/97/644762197.db2.gz LKLIEWJYKIWFQV-ZETCQYMHSA-N 1 0 221.087 1.771 10 0 BDAERO CC(C)[C@H]1CN(C[C@H]2CCCO2)CC[NH2+]1 ZINC000251394616 644804184 /nfs/dbraw/zinc/80/41/84/644804184.db2.gz KSUVVASWDJZEPO-VXGBXAGGSA-N 1 0 212.337 1.095 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1C ZINC000251872194 644828183 /nfs/dbraw/zinc/82/81/83/644828183.db2.gz UCFIEMDXTNNKPZ-QJPTWQEYSA-N 1 0 241.331 1.296 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+][C@@H](c2cc(N)ccc2C)C1 ZINC000757242333 644865909 /nfs/dbraw/zinc/86/59/09/644865909.db2.gz YATZVNPISDPNMP-ZWNOBZJWSA-N 1 0 248.326 1.791 10 0 BDAERO CCC[C@H](C)C[N@@H+]1CCOC[C@H]1CO ZINC000253067524 644934304 /nfs/dbraw/zinc/93/43/04/644934304.db2.gz KBYLGSBWJPBIBB-WDEREUQCSA-N 1 0 201.310 1.116 10 0 BDAERO C[C@@H]([NH2+]C(C)(C)CO)C(=O)N1CCCCCC1 ZINC000035115078 645935291 /nfs/dbraw/zinc/93/52/91/645935291.db2.gz BVAFLUNRCBDADW-LLVKDONJSA-N 1 0 242.363 1.138 10 0 BDAERO Cc1cn(C)nc1C[N@@H+]1CCC[C@H]1CCCO ZINC000723995913 711552177 /nfs/dbraw/zinc/55/21/77/711552177.db2.gz DHGGIUQMFHRHHK-LBPRGKRZSA-N 1 0 237.347 1.465 10 0 BDAERO C[C@H]1CCC(=O)CN1CC1CCOCC1 ZINC000725643891 711668381 /nfs/dbraw/zinc/66/83/81/711668381.db2.gz OZLPIBZGZSOESV-JTQLQIEISA-N 1 0 211.305 1.466 10 0 BDAERO CCO[C@@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)C1 ZINC000721254091 711798152 /nfs/dbraw/zinc/79/81/52/711798152.db2.gz JUEQWODRTYIERJ-POOIEITISA-N 1 0 227.348 1.695 10 0 BDAERO COc1cccnc1N[C@@H]1C[NH2+]C[C@H]1C ZINC000721884963 711811022 /nfs/dbraw/zinc/81/10/22/711811022.db2.gz VGWQDYMIJNXISC-RKDXNWHRSA-N 1 0 207.277 1.110 10 0 BDAERO CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000700011290 711982942 /nfs/dbraw/zinc/98/29/42/711982942.db2.gz GHYTVTVFQJJXII-HBNTYKKESA-N 1 0 224.348 1.394 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CNOC2)CC(C)(C)C1 ZINC000708341781 712189449 /nfs/dbraw/zinc/18/94/49/712189449.db2.gz QXUSUJAQDOLTDX-OUAUKWLOSA-N 1 0 212.337 1.694 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@@H]1C[NH3+] ZINC000708826163 712199965 /nfs/dbraw/zinc/19/99/65/712199965.db2.gz AHDNTLVGNNTODU-UTLUCORTSA-N 1 0 210.321 1.086 10 0 BDAERO C[C@H]1CN(c2cncc(Cl)n2)C[C@@H]1C[NH3+] ZINC000708888322 712202929 /nfs/dbraw/zinc/20/29/29/712202929.db2.gz IIYSJGKOAMFMRC-YUMQZZPRSA-N 1 0 226.711 1.161 10 0 BDAERO C[C@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000711264697 712292006 /nfs/dbraw/zinc/29/20/06/712292006.db2.gz YPZZDCBTZJYXFW-NDMJEZRESA-N 1 0 222.332 1.433 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n1 ZINC000716453761 712385028 /nfs/dbraw/zinc/38/50/28/712385028.db2.gz VUKNKHVXADFFRI-AXTSPUMRSA-N 1 0 221.304 1.591 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]C1CC(COC)C1 ZINC000713918615 712472802 /nfs/dbraw/zinc/47/28/02/712472802.db2.gz VCLKHVIRHSOQMS-BPCQOVAHSA-N 1 0 245.363 1.179 10 0 BDAERO COCC1CC([NH2+]Cc2cncn2C(C)C)C1 ZINC000713942149 712474248 /nfs/dbraw/zinc/47/42/48/712474248.db2.gz ASPOSALVRBQQMZ-UHFFFAOYSA-N 1 0 237.347 1.979 10 0 BDAERO FC1(F)CCC[C@H]1CCN[C@@H]1CC[NH2+]C1 ZINC000713986497 712476632 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234.347 1.402 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1Cc1nccn1C1CC1 ZINC000711800668 712331732 /nfs/dbraw/zinc/33/17/32/712331732.db2.gz OZEWBJHKSYEBAP-MWLCHTKSSA-N 1 0 220.320 1.140 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3nccn3C3CC3)C[C@@H]12 ZINC000711804084 712331984 /nfs/dbraw/zinc/33/19/84/712331984.db2.gz HUMYXPMPVCTKGI-CYZMBNFOSA-N 1 0 246.358 1.387 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378771177 712360382 /nfs/dbraw/zinc/36/03/82/712360382.db2.gz FVSYCAZVSFUCBM-UTLUCORTSA-N 1 0 216.300 1.176 10 0 BDAERO CC1(C)C[N@H+](C[C@@H]2CNCCO2)[C@@H]2CCC[C@@H]21 ZINC000378847255 712366409 /nfs/dbraw/zinc/36/64/09/712366409.db2.gz TWBZGUINICVAFV-RWMBFGLXSA-N 1 0 238.375 1.485 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)[C@H](C)O)[C@@H]1CCCCO1 ZINC000379246307 712371756 /nfs/dbraw/zinc/37/17/56/712371756.db2.gz AULJYZRXQFKFDS-VLEAKVRGSA-N 1 0 201.310 1.303 10 0 BDAERO COC1CC([NH2+]C2CC(C(F)F)C2)C1 ZINC000379567244 712388415 /nfs/dbraw/zinc/38/84/15/712388415.db2.gz 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CCCn1cc([C@H](C)[NH2+][C@H]2C[C@H]2C)nn1 ZINC000715840285 712535131 /nfs/dbraw/zinc/53/51/31/712535131.db2.gz FUEXJOXBLBGWMO-UTLUCORTSA-N 1 0 208.309 1.747 10 0 BDAERO CCCn1cc([C@@H](C)[NH2+]C2CC(CO)C2)nn1 ZINC000715855599 712537511 /nfs/dbraw/zinc/53/75/11/712537511.db2.gz MNVYIDOERLWNSI-KPPDAEKUSA-N 1 0 238.335 1.110 10 0 BDAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cn(C)nn1 ZINC000715913534 712541571 /nfs/dbraw/zinc/54/15/71/712541571.db2.gz RIPNHJLPEKLWJD-ATZCPNFKSA-N 1 0 224.308 1.033 10 0 BDAERO CCSCC[NH2+][C@H](C)c1cn(C)nn1 ZINC000715932230 712543818 /nfs/dbraw/zinc/54/38/18/712543818.db2.gz DFJXMESYMPNKDG-MRVPVSSYSA-N 1 0 214.338 1.219 10 0 BDAERO O=C(NCCCCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000716345536 712555753 /nfs/dbraw/zinc/55/57/53/712555753.db2.gz YBJMTQDMRRJGCE-LBPRGKRZSA-N 1 0 224.348 1.683 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716416163 712559630 /nfs/dbraw/zinc/55/96/30/712559630.db2.gz RLZICQJLKGBTDE-CYBMUJFWSA-N 1 0 229.364 1.630 10 0 BDAERO C(N[C@H]1CC[NH2+]C1)[C@@H]1CCC2(CCC2)CO1 ZINC000716592494 712564547 /nfs/dbraw/zinc/56/45/47/712564547.db2.gz FDXVQLVZPFQXMK-RYUDHWBXSA-N 1 0 224.348 1.287 10 0 BDAERO C[C@H]1CC[C@@H]([NH2+]C2CC(C(N)=O)C2)CS1 ZINC000716717639 712570803 /nfs/dbraw/zinc/57/08/03/712570803.db2.gz RPOLMDGXRUVRGP-QGVKSAJWSA-N 1 0 228.361 1.124 10 0 BDAERO C[C@H](CC1CCC1)[NH2+]C1CC(C(N)=O)C1 ZINC000716740317 712572141 /nfs/dbraw/zinc/57/21/41/712572141.db2.gz JCSKFSFTLZODIE-MFAVDMRSSA-N 1 0 210.321 1.419 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000716755210 712572614 /nfs/dbraw/zinc/57/26/14/712572614.db2.gz LOTXLRZTWNCTBB-UHFFFAOYSA-N 1 0 222.263 1.179 10 0 BDAERO Cc1ccsc1[C@@H](C)[NH2+]C1CC(C(N)=O)C1 ZINC000716770250 712572741 /nfs/dbraw/zinc/57/27/41/712572741.db2.gz OFUZVMHGSBQARB-XNWIYYODSA-N 1 0 238.356 1.971 10 0 BDAERO Cc1cccc([C@H](C)[NH2+]C2CC(C(N)=O)C2)c1 ZINC000716774519 712573370 /nfs/dbraw/zinc/57/33/70/712573370.db2.gz FDFXNHHTYISNNQ-PKSQDBQZSA-N 1 0 232.327 1.910 10 0 BDAERO CC[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)C(C)(C)C ZINC000716886785 712580486 /nfs/dbraw/zinc/58/04/86/712580486.db2.gz RKVDBIOCJYUWQC-HBNTYKKESA-N 1 0 217.353 1.533 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1nccc2cccnc21 ZINC000716897708 712581218 /nfs/dbraw/zinc/58/12/18/712581218.db2.gz YWLVUHWJBCWIDE-BDAKNGLRSA-N 1 0 216.288 1.777 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nccc2cccnc21 ZINC000716922879 712596213 /nfs/dbraw/zinc/59/62/13/712596213.db2.gz SDSMDVCEKOIEHU-SECBINFHSA-N 1 0 216.288 1.650 10 0 BDAERO CC[C@H]([NH2+]Cc1cnn(C)n1)C(C)(C)C ZINC000379914834 712625032 /nfs/dbraw/zinc/62/50/32/712625032.db2.gz BFXRLPYNLGOZJI-JTQLQIEISA-N 1 0 210.325 1.729 10 0 BDAERO CC1(C)CO[C@H](CCN[C@H]2CC[NH2+]C2)C1 ZINC000717158257 712638062 /nfs/dbraw/zinc/63/80/62/712638062.db2.gz JHIRCGRENMAIAQ-WDEREUQCSA-N 1 0 212.337 1.143 10 0 BDAERO C[C@H](NC(=O)CC[NH2+]CC1CC1)C1CC1 ZINC000717235895 712640729 /nfs/dbraw/zinc/64/07/29/712640729.db2.gz XETHEFJGRWKISL-VIFPVBQESA-N 1 0 210.321 1.291 10 0 BDAERO C[C@H](O)[C@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC000717275705 712642228 /nfs/dbraw/zinc/64/22/28/712642228.db2.gz CBZINSVRVIAPDB-IINYFYTJSA-N 1 0 246.310 1.066 10 0 BDAERO [NH3+]C[C@@H]1CCCN1Cc1cccc(Cl)n1 ZINC000133249039 712642282 /nfs/dbraw/zinc/64/22/82/712642282.db2.gz OJWKUESKEPCEAA-JTQLQIEISA-N 1 0 225.723 1.658 10 0 BDAERO COC1CC([NH2+]C2CC(OC(C)C)C2)C1 ZINC000379982655 712643882 /nfs/dbraw/zinc/64/38/82/712643882.db2.gz IJGQYWHDKVEHBB-UHFFFAOYSA-N 1 0 213.321 1.709 10 0 BDAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H](C)O)cc1 ZINC000717389605 712653197 /nfs/dbraw/zinc/65/31/97/712653197.db2.gz XKFHSOVLWKDBBH-COPLHBTASA-N 1 0 237.343 1.641 10 0 BDAERO CC1(C)C[C@H]1c1noc(CC2CC([NH3+])C2)n1 ZINC000718101025 712743073 /nfs/dbraw/zinc/74/30/73/712743073.db2.gz YDVJVLLDTRVIGX-HACHORDNSA-N 1 0 221.304 1.863 10 0 BDAERO Cc1coc(C[NH2+]C[C@H]2CCC[C@H]2O)c1 ZINC000718111501 712743338 /nfs/dbraw/zinc/74/33/38/712743338.db2.gz XKWKVSYGZQIMAI-ZYHUDNBSSA-N 1 0 209.289 1.839 10 0 BDAERO Cc1coc(C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000718146228 712748855 /nfs/dbraw/zinc/74/88/55/712748855.db2.gz RFLXUVMZXNIOOP-NWDGAFQWSA-N 1 0 209.289 1.981 10 0 BDAERO Cc1coc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000718497547 712767076 /nfs/dbraw/zinc/76/70/76/712767076.db2.gz CWIBQDIXGOUVNG-HBNTYKKESA-N 1 0 234.299 1.397 10 0 BDAERO O[C@H](C[NH2+]CCc1ccccc1)COCC1CC1 ZINC000037850034 712775604 /nfs/dbraw/zinc/77/56/04/712775604.db2.gz BKMTWRDFQYJEKF-OAHLLOKOSA-N 1 0 249.354 1.606 10 0 BDAERO c1cnc2nccc(N3C[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000718930910 712788748 /nfs/dbraw/zinc/78/87/48/712788748.db2.gz SJCKVZUQUMRQPO-PHIMTYICSA-N 1 0 240.310 1.285 10 0 BDAERO C[C@H]1CN(c2ccnc3ncccc23)C[C@H]1[NH3+] ZINC000718928821 712789779 /nfs/dbraw/zinc/78/97/79/712789779.db2.gz DGWBCYXIIMYEHO-GXSJLCMTSA-N 1 0 228.299 1.413 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCC=CCCC1 ZINC000718968269 712790641 /nfs/dbraw/zinc/79/06/41/712790641.db2.gz FMHGABUIJACFCX-VXGBXAGGSA-N 1 0 224.348 1.976 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ncc(Cl)s1 ZINC000719438980 712808001 /nfs/dbraw/zinc/80/80/01/712808001.db2.gz BZEKKQKIEKSPBM-RXMQYKEDSA-N 1 0 233.724 1.021 10 0 BDAERO c1cnc(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)nc1 ZINC000720236915 712829224 /nfs/dbraw/zinc/82/92/24/712829224.db2.gz HMFFOVDTBOUBJE-NSHDSACASA-N 1 0 248.330 1.047 10 0 BDAERO Cc1conc1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000720362255 712835242 /nfs/dbraw/zinc/83/52/42/712835242.db2.gz IURGZLBCMOSKOY-NEPJUHHUSA-N 1 0 235.331 1.652 10 0 BDAERO CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC(F)(F)C1 ZINC000720470443 712845516 /nfs/dbraw/zinc/84/55/16/712845516.db2.gz CQTGFPBLQZGUMK-BDAKNGLRSA-N 1 0 246.301 1.665 10 0 BDAERO Cc1c[nH+]ccc1N[C@@H](C)c1cn(C)nn1 ZINC000720585224 712854722 /nfs/dbraw/zinc/85/47/22/712854722.db2.gz XJMJAIZSBNANCR-VIFPVBQESA-N 1 0 217.276 1.114 10 0 BDAERO Cc1cc(C[N@@H+]2CCC[C@@H]2CCCO)c(C)nn1 ZINC000720593418 712856735 /nfs/dbraw/zinc/85/67/35/712856735.db2.gz XLZIUWLOMDVGOB-CQSZACIVSA-N 1 0 249.358 1.830 10 0 BDAERO C[C@H]([NH2+]C[Si](C)(C)C)c1cn(C)nn1 ZINC000720615794 712859047 /nfs/dbraw/zinc/85/90/47/712859047.db2.gz SPGUTMPMTCLDPO-QMMMGPOBSA-N 1 0 212.373 1.343 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720788226 712865173 /nfs/dbraw/zinc/86/51/73/712865173.db2.gz IUZIJSBIPIDZJG-CYDGBPFRSA-N 1 0 224.348 1.367 10 0 BDAERO [NH3+]C[C@H]1CN(c2ccccn2)C[C@@H]1C(F)(F)F ZINC000720873861 712873514 /nfs/dbraw/zinc/87/35/14/712873514.db2.gz WSXQHPUXTQMZFY-IUCAKERBSA-N 1 0 245.248 1.655 10 0 BDAERO Cc1nccnc1NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000721079114 712890104 /nfs/dbraw/zinc/89/01/04/712890104.db2.gz YRVJOVPIYQOWPP-MWLCHTKSSA-N 1 0 220.320 1.443 10 0 BDAERO CC1(C)C[C@@H]1c1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000721144821 712892231 /nfs/dbraw/zinc/89/22/31/712892231.db2.gz FBROHCVCYVBSBY-RGOKHQFPSA-N 1 0 233.315 1.906 10 0 BDAERO CC(C)(C)Cc1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000721146143 712892657 /nfs/dbraw/zinc/89/26/57/712892657.db2.gz JSOGTGUOJZIXFW-WCABBAIRSA-N 1 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Cc1cc(C)nc(N(C)C[C@H]2CCC[NH2+]C2)n1 ZINC000095071057 177936632 /nfs/dbraw/zinc/93/66/32/177936632.db2.gz ZGTMJCOEKWNAQY-LBPRGKRZSA-N 1 0 234.347 1.529 10 0 BDAERO Nc1cn(C[C@@H]2CCC(F)(F)C2)cn1 ZINC000685964153 538911243 /nfs/dbraw/zinc/91/12/43/538911243.db2.gz BRMIEOHDXIYABN-SSDOTTSWSA-N 1 0 201.220 1.901 10 0 BDAERO Cc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)c(C)c1 ZINC000685965339 538911907 /nfs/dbraw/zinc/91/19/07/538911907.db2.gz ACQWAPJYCYKMMO-QWHCGFSZSA-N 1 0 204.317 1.708 10 0 BDAERO COc1ccc(F)cc1[C@@H]1C[NH2+]C[C@@]1(C)N ZINC000685965833 538912389 /nfs/dbraw/zinc/91/23/89/538912389.db2.gz VGLGFQHERKBIHX-CMPLNLGQSA-N 1 0 224.279 1.239 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000685965819 538912517 /nfs/dbraw/zinc/91/25/17/538912517.db2.gz UTEJZFGBFHCLAU-NWDGAFQWSA-N 1 0 206.289 1.099 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@H]1c1ccccc1Cl ZINC000685965814 538912548 /nfs/dbraw/zinc/91/25/48/538912548.db2.gz UMTPMPALSYUOGK-ONGXEEELSA-N 1 0 210.708 1.744 10 0 BDAERO 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ZINC000044726648 178018732 /nfs/dbraw/zinc/01/87/32/178018732.db2.gz LCKKPTVNOKZLAT-UHFFFAOYSA-N 1 0 211.290 1.566 10 0 BDAERO [NH3+][C@H]1CC[C@H](CN=S2(=O)CCCC2)C1 ZINC000307398372 398159896 /nfs/dbraw/zinc/15/98/96/398159896.db2.gz YBCGOEIQHXGRHL-UWVGGRQHSA-N 1 0 216.350 1.376 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H]2COCCO2)c(C)n1C ZINC000052790393 178023338 /nfs/dbraw/zinc/02/33/38/178023338.db2.gz GTJMDVJJZSOLFQ-CYBMUJFWSA-N 1 0 238.331 1.147 10 0 BDAERO [NH3+][C@H](c1ccc[nH]1)[C@@H]1CSCCS1 ZINC000307443872 398167727 /nfs/dbraw/zinc/16/77/27/398167727.db2.gz CIFLONBBQLVEST-DTWKUNHWSA-N 1 0 214.359 1.863 10 0 BDAERO CC1(C)C[N@@H+]([C@H]2CCCC2=O)CCCO1 ZINC000306675297 398169350 /nfs/dbraw/zinc/16/93/50/398169350.db2.gz SEHJMUUNUAGSTN-JTQLQIEISA-N 1 0 211.305 1.609 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCCN(C)C2)c(C)n1C ZINC000052790424 178034257 /nfs/dbraw/zinc/03/42/57/178034257.db2.gz MOKMMNNTTIJTAW-CQSZACIVSA-N 1 0 235.375 1.826 10 0 BDAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CCOC2)C12CCC2 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398203201 /nfs/dbraw/zinc/20/32/01/398203201.db2.gz GAUCQMZJFNCGFI-QWRGUYRKSA-N 1 0 212.337 1.679 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2ccccc2F)C1 ZINC000616621941 398207210 /nfs/dbraw/zinc/20/72/10/398207210.db2.gz VWKCCCTTXDKXRE-NSHDSACASA-N 1 0 222.307 1.964 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1cccc2ccnnc21 ZINC000616638391 398215292 /nfs/dbraw/zinc/21/52/92/398215292.db2.gz YPDXWQCWICXRIJ-CYBMUJFWSA-N 1 0 242.326 1.596 10 0 BDAERO [NH3+]C[C@@H]1CN(c2ccccc2F)C(=O)O1 ZINC000019669086 538927175 /nfs/dbraw/zinc/92/71/75/538927175.db2.gz WUCGTHVMDSEFIY-SSDOTTSWSA-N 1 0 210.208 1.110 10 0 BDAERO Cc1cc(NC2CCC(O)CC2)nc(N)[nH+]1 ZINC000033359426 178154673 /nfs/dbraw/zinc/15/46/73/178154673.db2.gz ISMKSGDQXVVGQX-UHFFFAOYSA-N 1 0 222.292 1.083 10 0 BDAERO Cc1cc(NCCCC(=O)NC2CC2)cc[nH+]1 ZINC000162802156 178157986 /nfs/dbraw/zinc/15/79/86/178157986.db2.gz LKJYGIGMDOPNRZ-UHFFFAOYSA-N 1 0 233.315 1.861 10 0 BDAERO Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000073734842 178167678 /nfs/dbraw/zinc/16/76/78/178167678.db2.gz AUQGYSAEDOQJSC-SECBINFHSA-N 1 0 240.738 1.850 10 0 BDAERO Cc1cc(NC[C@@](C)(O)c2cnn(C)c2)cc[nH+]1 ZINC000302570415 178167802 /nfs/dbraw/zinc/16/78/02/178167802.db2.gz PEZZKXKJBDRGQK-CYBMUJFWSA-N 1 0 246.314 1.443 10 0 BDAERO CC(C)C[NH2+]C[C@H](O)C(Cl)(Cl)Cl ZINC000163694870 538930275 /nfs/dbraw/zinc/93/02/75/538930275.db2.gz HWCJNYBAGYWLDJ-LURJTMIESA-N 1 0 234.554 1.963 10 0 BDAERO CN(C(=O)[C@H]1CCC[C@@H]1[NH3+])C1CCCC1 ZINC000082920494 136222109 /nfs/dbraw/zinc/22/21/09/136222109.db2.gz XWOIUOGWJHUIHE-QWRGUYRKSA-N 1 0 210.321 1.515 10 0 BDAERO Cc1cc(N[C@H]2CCCC[C@@H]2[NH3+])n2ncnc2n1 ZINC000038050747 178188920 /nfs/dbraw/zinc/18/89/20/178188920.db2.gz YFMWFSRUMLYHHR-UWVGGRQHSA-N 1 0 246.318 1.115 10 0 BDAERO Cc1cc(N[C@H]2CC[NH2+]C2)nc(Cl)n1 ZINC000073734869 178190916 /nfs/dbraw/zinc/19/09/16/178190916.db2.gz LGKPBOVMGGPLOB-ZETCQYMHSA-N 1 0 212.684 1.212 10 0 BDAERO CCC[C@@H](C[NH3+])[C@H](O)CCSCC ZINC000164113546 538931472 /nfs/dbraw/zinc/93/14/72/538931472.db2.gz KEJPRYMXDNMBAL-VHSXEESVSA-N 1 0 205.367 1.866 10 0 BDAERO CCOC(=O)N1CCC[C@H](C[NH3+])CC1 ZINC000382064660 361745910 /nfs/dbraw/zinc/74/59/10/361745910.db2.gz DGYZNCVBZDWFJZ-VIFPVBQESA-N 1 0 200.282 1.204 10 0 BDAERO CC1(C)C[N@H+](C[C@@H](O)CF)CCS1 ZINC000306641690 361754722 /nfs/dbraw/zinc/75/47/22/361754722.db2.gz QZYAAHRVYOUGIT-QMMMGPOBSA-N 1 0 207.314 1.144 10 0 BDAERO Cc1cc(OCCN2CC[NH+](C)CC2)ccc1N ZINC000031977762 178210940 /nfs/dbraw/zinc/21/09/40/178210940.db2.gz XYZQBLHMLRXOET-UHFFFAOYSA-N 1 0 249.358 1.203 10 0 BDAERO Cc1cc([C@@H]([NH3+])CO)c(F)cc1Cl ZINC000072197962 178235830 /nfs/dbraw/zinc/23/58/30/178235830.db2.gz YOKPIGCLVRVKRK-VIFPVBQESA-N 1 0 203.644 1.780 10 0 BDAERO Cc1cc([C@@H](C[NH3+])N2CCOCC2)c(C)s1 ZINC000049687167 178236161 /nfs/dbraw/zinc/23/61/61/178236161.db2.gz MZPUCIRRVVNBSB-GFCCVEGCSA-N 1 0 240.372 1.697 10 0 BDAERO Cc1cc([C@@H](O)C[NH3+])ccc1Br ZINC000082541928 178238938 /nfs/dbraw/zinc/23/89/38/178238938.db2.gz ZNTDAZZTVVKZAD-VIFPVBQESA-N 1 0 230.105 1.750 10 0 BDAERO C[C@@H]([NH3+])c1csc(-c2ccncn2)n1 ZINC000070840396 361783759 /nfs/dbraw/zinc/78/37/59/361783759.db2.gz MQEAIVFNIMWTAQ-ZCFIWIBFSA-N 1 0 206.274 1.620 10 0 BDAERO Cc1cc([C@H]([NH2+]CC2CC2)C(N)=O)cc(C)c1O ZINC000038000934 178262051 /nfs/dbraw/zinc/26/20/51/178262051.db2.gz YJAAVZACDSTAQQ-LBPRGKRZSA-N 1 0 248.326 1.535 10 0 BDAERO Cc1noc2ncnc(N[C@@H](C)CCC[NH3+])c12 ZINC000379841850 398238886 /nfs/dbraw/zinc/23/88/86/398238886.db2.gz BWOPLCMQROIQFT-ZETCQYMHSA-N 1 0 235.291 1.466 10 0 BDAERO Cc1cc2c(N[C@@H](C)CCCC[NH3+])nccn2n1 ZINC000336791046 178276862 /nfs/dbraw/zinc/27/68/62/178276862.db2.gz MOWHLNYIWKEYQL-JTQLQIEISA-N 1 0 247.346 1.389 10 0 BDAERO CCOc1nccnc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000576494248 365609913 /nfs/dbraw/zinc/60/99/13/365609913.db2.gz ZIPVCKNSLLZQJL-MNOVXSKESA-N 1 0 248.330 1.064 10 0 BDAERO Cc1cc2c(cc1C)S(=O)(=O)[C@@H](C)C[C@H]2[NH3+] ZINC000035752224 178285958 /nfs/dbraw/zinc/28/59/58/178285958.db2.gz 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538976089 /nfs/dbraw/zinc/97/60/89/538976089.db2.gz BXVAVXMYNHQMLV-MGPQQGTHSA-N 1 0 241.375 1.896 10 0 BDAERO CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000191979206 538994011 /nfs/dbraw/zinc/99/40/11/538994011.db2.gz CEGNYYUBQXCNBM-LBPRGKRZSA-N 1 0 233.315 1.495 10 0 BDAERO O[C@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](O)CC2)C1 ZINC000381976783 398290977 /nfs/dbraw/zinc/29/09/77/398290977.db2.gz ALDWUDUMNXLKJZ-XQQFMLRXSA-N 1 0 227.348 1.384 10 0 BDAERO COc1cccnc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382447793 361936747 /nfs/dbraw/zinc/93/67/47/361936747.db2.gz BTCHRSPILQXBHN-UWVGGRQHSA-N 1 0 221.304 1.630 10 0 BDAERO CC[N@H+]1C[C@H](NCc2ccon2)[C@@H](C)C1 ZINC000379913527 538981608 /nfs/dbraw/zinc/98/16/08/538981608.db2.gz AETPSYGRBGDEGM-ONGXEEELSA-N 1 0 209.293 1.104 10 0 BDAERO Cc1nnc(NCC2([NH3+])CCCC2)s1 ZINC000606280685 488181869 /nfs/dbraw/zinc/18/18/69/488181869.db2.gz DRADHRRLZOKABZ-UHFFFAOYSA-N 1 0 212.322 1.530 10 0 BDAERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2O)C1 ZINC000623767605 398291946 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/nfs/dbraw/zinc/00/68/91/539006891.db2.gz XKDQRONGYFBLJM-LLVKDONJSA-N 1 0 219.332 1.835 10 0 BDAERO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)ccn1C ZINC000195220999 539009929 /nfs/dbraw/zinc/00/99/29/539009929.db2.gz KCSGGICHQFZAAF-NSHDSACASA-N 1 0 235.331 1.110 10 0 BDAERO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccn1C ZINC000195221011 539010106 /nfs/dbraw/zinc/01/01/06/539010106.db2.gz KCSGGICHQFZAAF-LLVKDONJSA-N 1 0 235.331 1.110 10 0 BDAERO CCC[NH2+][C@@H](C)c1cn(Cc2cccnc2)nn1 ZINC000386384954 539013483 /nfs/dbraw/zinc/01/34/83/539013483.db2.gz UOGNULKIHJDMSL-NSHDSACASA-N 1 0 245.330 1.782 10 0 BDAERO CSC(C)(C)C[C@H](O)C1(C[NH3+])CC1 ZINC000385265189 539012825 /nfs/dbraw/zinc/01/28/25/539012825.db2.gz WAMQFHUTQGJSES-QMMMGPOBSA-N 1 0 203.351 1.618 10 0 BDAERO CC[C@@H]1CN([C@@H]2CC[NH2+]C[C@H]2F)C[C@@H](CC)O1 ZINC000709445733 539027312 /nfs/dbraw/zinc/02/73/12/539027312.db2.gz NAQZZLMKNKLEBK-FDYHWXHSSA-N 1 0 244.354 1.576 10 0 BDAERO C#CC[C@H]([NH3+])C(=O)CCCOCc1ccccc1 ZINC000390806211 539027628 /nfs/dbraw/zinc/02/76/28/539027628.db2.gz JHHVDWWVXCGRBZ-AWEZNQCLSA-N 1 0 245.322 1.903 10 0 BDAERO c1nc2c([nH]1)[C@@]1(C[C@@H]3CC[C@@H](C3)C1)[NH2+]CC2 ZINC000711044332 539028357 /nfs/dbraw/zinc/02/83/57/539028357.db2.gz QPLWBYGMYBRGTG-IWIIMEHWSA-N 1 0 217.316 1.961 10 0 BDAERO C[C@@H]1CCC[C@@H]([N@H+](C)CC(N)=S)C1 ZINC000042493133 362002938 /nfs/dbraw/zinc/00/29/38/362002938.db2.gz YFKFYQKVHCDOMS-RKDXNWHRSA-N 1 0 200.351 1.783 10 0 BDAERO Nc1ccc(N2CCCSCC2)cn1 ZINC000042443696 361999787 /nfs/dbraw/zinc/99/97/87/361999787.db2.gz HMDYYNWQELKZTN-UHFFFAOYSA-N 1 0 209.318 1.607 10 0 BDAERO CC[NH+](CC)CCN1CCc2[nH]cc(C)c2C1=O ZINC000118796795 342846112 /nfs/dbraw/zinc/84/61/12/342846112.db2.gz VBPJFZPPZYWBKX-UHFFFAOYSA-N 1 0 249.358 1.663 10 0 BDAERO CC(C)[C@H]([NH3+])CN1CCOCC1(C)C ZINC000042463159 362001988 /nfs/dbraw/zinc/00/19/88/362001988.db2.gz VBRYXCSUCRPWIW-SNVBAGLBSA-N 1 0 200.326 1.081 10 0 BDAERO CCOC(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000308692536 342862612 /nfs/dbraw/zinc/86/26/12/342862612.db2.gz RUYCYRBXIZCVNG-SECBINFHSA-N 1 0 200.282 1.204 10 0 BDAERO CC(C)C1([NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC000382048417 398303076 /nfs/dbraw/zinc/30/30/76/398303076.db2.gz CSEFGKONZJZXIG-UHFFFAOYSA-N 1 0 220.316 1.664 10 0 BDAERO Cc1cccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)n1 ZINC000299920541 259326690 /nfs/dbraw/zinc/32/66/90/259326690.db2.gz KYPUXXLHKHWPIZ-JSGCOSHPSA-N 1 0 231.343 1.574 10 0 BDAERO CCOC(=O)N1CCC[N@H+](C)C[C@H]1C ZINC000233703903 342878130 /nfs/dbraw/zinc/87/81/30/342878130.db2.gz XKELGJZLJPYEFZ-SECBINFHSA-N 1 0 200.282 1.169 10 0 BDAERO [NH3+][C@@H]1COC[C@H]1C(=O)c1sccc1Cl ZINC000229957832 342860160 /nfs/dbraw/zinc/86/01/60/342860160.db2.gz KIDHMDRVKHLJDW-IYSWYEEDSA-N 1 0 231.704 1.558 10 0 BDAERO O=C(c1sccc1Cl)C1C[NH2+]C1 ZINC000229957597 342860178 /nfs/dbraw/zinc/86/01/78/342860178.db2.gz YCIXHDUEYITFGY-UHFFFAOYSA-N 1 0 201.678 1.804 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1C[C@@H]1CCC ZINC000233003043 342894506 /nfs/dbraw/zinc/89/45/06/342894506.db2.gz DKNZWOYFEFRTPL-XQQFMLRXSA-N 1 0 229.364 1.942 10 0 BDAERO CCOC1CC2(C1)[NH2+]C(C)(C)CS2 ZINC000233734362 342879373 /nfs/dbraw/zinc/87/93/73/342879373.db2.gz OYDJGQHEBJEWLB-UHFFFAOYSA-N 1 0 201.335 1.997 10 0 BDAERO C[N@H+]([C@H]1CCOC1)[C@@H]1CCCCCC1=O ZINC000134734197 342880990 /nfs/dbraw/zinc/88/09/90/342880990.db2.gz SDSMHYZATJJJTO-WDEREUQCSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC1CC1 ZINC000134759954 342883569 /nfs/dbraw/zinc/88/35/69/342883569.db2.gz MOUGIRLQWOZMPU-CMPLNLGQSA-N 1 0 237.347 1.417 10 0 BDAERO CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)[NH2+]C ZINC000233828803 342887920 /nfs/dbraw/zinc/88/79/20/342887920.db2.gz ZZMLYOIFPHISEZ-OPRDCNLKSA-N 1 0 230.377 1.385 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]CC1(SC)CC1 ZINC000232999459 342891380 /nfs/dbraw/zinc/89/13/80/342891380.db2.gz CJJITVSCDLMQQL-LLVKDONJSA-N 1 0 247.404 1.649 10 0 BDAERO C[NH2+][C@@H]1CCN(CC(F)(F)F)C[C@@H]1C ZINC000219767876 342910299 /nfs/dbraw/zinc/91/02/99/342910299.db2.gz JSGUOUURMHKJTI-JGVFFNPUSA-N 1 0 210.243 1.479 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCCCCC1 ZINC000134889898 342917243 /nfs/dbraw/zinc/91/72/43/342917243.db2.gz VVKQLHZTJCXEJW-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H]1CC[S@](=O)C[C@@H](C2(C)CC2)[NH2+]1 ZINC000228591376 398325147 /nfs/dbraw/zinc/32/51/47/398325147.db2.gz ZBYNFCJFWYTSGY-ZDMBXUJBSA-N 1 0 201.335 1.286 10 0 BDAERO Nc1cc(NC[C@H]2CCSC2)cc[nH+]1 ZINC000228623101 398325353 /nfs/dbraw/zinc/32/53/53/398325353.db2.gz CYHTXMYODIPAOP-MRVPVSSYSA-N 1 0 209.318 1.829 10 0 BDAERO CC[C@H](O)C[NH+]1CCN(CC=C(C)C)CC1 ZINC000174089712 346877126 /nfs/dbraw/zinc/87/71/26/346877126.db2.gz QMDGECUQDUFKRQ-ZDUSSCGKSA-N 1 0 226.364 1.341 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC[C@H](C)O)C12CCC2 ZINC000381289385 398329619 /nfs/dbraw/zinc/32/96/19/398329619.db2.gz CPYVOWWSIVTQFP-FIQHERPVSA-N 1 0 227.348 1.551 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000309062066 529515330 /nfs/dbraw/zinc/51/53/30/529515330.db2.gz XHZZXMQKOGZRTC-MMWGEVLESA-N 1 0 215.337 1.406 10 0 BDAERO CC(C)c1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000020475618 342986553 /nfs/dbraw/zinc/98/65/53/342986553.db2.gz LHWDVJHBAWJTSJ-STQMWFEESA-N 1 0 248.326 1.471 10 0 BDAERO [NH3+]CC[C@H]1CCc2ccc3c(c21)NCCO3 ZINC000036420953 342995069 /nfs/dbraw/zinc/99/50/69/342995069.db2.gz HMSSLEWJHRYENZ-SNVBAGLBSA-N 1 0 218.300 1.870 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000235333299 343010303 /nfs/dbraw/zinc/01/03/03/343010303.db2.gz FQQSGAGDQAXMRT-GWOFURMSSA-N 1 0 242.388 1.194 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000178589887 534931985 /nfs/dbraw/zinc/93/19/85/534931985.db2.gz KHIMSSQZFMZUJH-GHMZBOCLSA-N 1 0 212.337 1.476 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC(C)(C)C(C)C ZINC000309089471 259342018 /nfs/dbraw/zinc/34/20/18/259342018.db2.gz ANFUZFZWVSKPHE-SECBINFHSA-N 1 0 200.326 1.665 10 0 BDAERO C[C@H]([NH3+])[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000043298395 343040347 /nfs/dbraw/zinc/04/03/47/343040347.db2.gz BCWVNFLLINRDSC-WDSKDSINSA-N 1 0 207.199 1.810 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)OC ZINC000177014340 346920756 /nfs/dbraw/zinc/92/07/56/346920756.db2.gz CDVFAZZTHWUCJO-LLVKDONJSA-N 1 0 242.363 1.354 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccoc1 ZINC000176986692 346920304 /nfs/dbraw/zinc/92/03/04/346920304.db2.gz CFTWXLFWRUSNHV-LBPRGKRZSA-N 1 0 236.315 1.836 10 0 BDAERO Nc1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000022176888 343043127 /nfs/dbraw/zinc/04/31/27/343043127.db2.gz IGIGYPNZDJXGOS-CYBMUJFWSA-N 1 0 245.326 1.093 10 0 BDAERO C[C@@H]1CN(C[C@@H]([NH3+])C(C)(C)C)CCO1 ZINC000023066913 343058106 /nfs/dbraw/zinc/05/81/06/343058106.db2.gz WCVOUIRTFLAVKT-NXEZZACHSA-N 1 0 200.326 1.081 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000048775722 343059240 /nfs/dbraw/zinc/05/92/40/343059240.db2.gz MEOYPTDGOHBKQT-MRVPVSSYSA-N 1 0 238.287 1.250 10 0 BDAERO CC(C)N1CCC[C@]2(CCC[NH2+]C2)C1=O ZINC000023508822 343065603 /nfs/dbraw/zinc/06/56/03/343065603.db2.gz CNIBMTFKRZRKSX-LBPRGKRZSA-N 1 0 210.321 1.387 10 0 BDAERO [NH3+][C@H](CO)c1cccc(OC(F)(F)F)c1 ZINC000072198393 343068933 /nfs/dbraw/zinc/06/89/33/343068933.db2.gz NZNJVYOKWZUJIQ-MRVPVSSYSA-N 1 0 221.178 1.577 10 0 BDAERO [NH3+][C@@H](CO)c1cc(F)ccc1C(F)(F)F ZINC000072198454 343069153 /nfs/dbraw/zinc/06/91/53/343069153.db2.gz HYKDTCPTDBMOIM-QMMMGPOBSA-N 1 0 223.169 1.837 10 0 BDAERO CCC[C@@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000406413506 343078956 /nfs/dbraw/zinc/07/89/56/343078956.db2.gz VFURNWGUWRMJAC-SNVBAGLBSA-N 1 0 228.336 1.981 10 0 BDAERO COc1cccnc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000383429305 362023852 /nfs/dbraw/zinc/02/38/52/362023852.db2.gz BRJHQRKTBHYNBD-HBNTYKKESA-N 1 0 233.315 1.264 10 0 BDAERO C(CN1CCSCC1)[C@H]1CCCC[NH2+]1 ZINC000043498769 343092191 /nfs/dbraw/zinc/09/21/91/343092191.db2.gz PWPAZKUCFVMJSH-LLVKDONJSA-N 1 0 214.378 1.567 10 0 BDAERO CC(C)SCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000576863442 365706565 /nfs/dbraw/zinc/70/65/65/365706565.db2.gz IXISHCVUVNATGU-DCAQKATOSA-N 1 0 242.388 1.324 10 0 BDAERO COc1ccc(F)c2ncc(N)c(N)c12 ZINC000584882587 343085179 /nfs/dbraw/zinc/08/51/79/343085179.db2.gz LEAOHZPYLQASCE-UHFFFAOYSA-N 1 0 207.208 1.377 10 0 BDAERO CC[NH2+]C[C@@H](O)C[C@@](O)(CC)C(C)C ZINC000584882979 343086009 /nfs/dbraw/zinc/08/60/09/343086009.db2.gz CKNPOOMJVHCIES-QWRGUYRKSA-N 1 0 203.326 1.144 10 0 BDAERO C[C@](O)(C[C@@H](O)C[NH3+])C1CCCCC1 ZINC000584883321 343086282 /nfs/dbraw/zinc/08/62/82/343086282.db2.gz MKZCPMIRVZHDFL-MNOVXSKESA-N 1 0 201.310 1.027 10 0 BDAERO CC[C@@](O)(C[C@H](O)C[NH2+]C(C)C)C(C)(C)C ZINC000584883296 343086302 /nfs/dbraw/zinc/08/63/02/343086302.db2.gz LCSSXVFSINHPQA-WCQYABFASA-N 1 0 231.380 1.923 10 0 BDAERO CC[C@@](O)(C[C@@H](O)C[NH2+]C(C)C)C(C)C ZINC000584883640 343086743 /nfs/dbraw/zinc/08/67/43/343086743.db2.gz XRJJDUJIPSZZMH-VXGBXAGGSA-N 1 0 217.353 1.533 10 0 BDAERO CN1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000584883892 343086979 /nfs/dbraw/zinc/08/69/79/343086979.db2.gz WAOZMQZYORNMIF-UHFFFAOYSA-N 1 0 222.357 1.815 10 0 BDAERO Nc1ccc(SC[C@H]2CCC[NH2+]2)nc1 ZINC000043497559 343091921 /nfs/dbraw/zinc/09/19/21/343091921.db2.gz YJDILZQNQVDGBO-SECBINFHSA-N 1 0 209.318 1.508 10 0 BDAERO CC(C)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000306901865 343076673 /nfs/dbraw/zinc/07/66/73/343076673.db2.gz HEDJBQMQCVXLPB-VHSXEESVSA-N 1 0 228.336 1.898 10 0 BDAERO Cc1ccc(C)c(OC[C@@](C)(O)C[NH3+])c1C ZINC000019668041 178490337 /nfs/dbraw/zinc/49/03/37/178490337.db2.gz QRINLZPDJIQKBH-ZDUSSCGKSA-N 1 0 223.316 1.700 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCOCC(F)F ZINC000236542388 343102262 /nfs/dbraw/zinc/10/22/62/343102262.db2.gz YMMMJPZYROKNSV-RKDXNWHRSA-N 1 0 223.263 1.161 10 0 BDAERO COC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309962521 343109907 /nfs/dbraw/zinc/10/99/07/343109907.db2.gz LYZOIRCNKZCCLE-SDDRHHMPSA-N 1 0 233.327 1.502 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247147048 343094234 /nfs/dbraw/zinc/09/42/34/343094234.db2.gz YFVPLSRQDPOMFE-STQMWFEESA-N 1 0 238.375 1.975 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N(C)c1nccs1 ZINC000236897153 343113611 /nfs/dbraw/zinc/11/36/11/343113611.db2.gz AKQNVJFDTMMPSB-SSDOTTSWSA-N 1 0 213.306 1.233 10 0 BDAERO C[C@@H](C(N)=S)[N@H+](C)C1CCCCC1 ZINC000043513882 343115442 /nfs/dbraw/zinc/11/54/42/343115442.db2.gz PFXNJSGJNQPSKN-QMMMGPOBSA-N 1 0 200.351 1.926 10 0 BDAERO C[C@H](Oc1ccc(F)cc1F)C(N)=[NH2+] ZINC000043515747 343116168 /nfs/dbraw/zinc/11/61/68/343116168.db2.gz XTDSMCPOCRUBSC-YFKPBYRVSA-N 1 0 200.188 1.668 10 0 BDAERO CC[C@H](C(N)=S)[N@@H+]1CCOC(C)(C)C1 ZINC000043539897 343132486 /nfs/dbraw/zinc/13/24/86/343132486.db2.gz LEMIJTFRMOAZBD-MRVPVSSYSA-N 1 0 216.350 1.162 10 0 BDAERO [NH3+][C@H](CO)c1ccc(OC(F)F)cc1 ZINC000036949482 343143948 /nfs/dbraw/zinc/14/39/48/343143948.db2.gz YTHACPLZDAHPTP-MRVPVSSYSA-N 1 0 203.188 1.280 10 0 BDAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000127414242 343177704 /nfs/dbraw/zinc/17/77/04/343177704.db2.gz LUIQCOAQWZPDFU-SNVBAGLBSA-N 1 0 210.321 1.387 10 0 BDAERO CCC([NH3+])(CC)CNc1ncnc2c1CCC2 ZINC000130057823 343180012 /nfs/dbraw/zinc/18/00/12/343180012.db2.gz VBCLVFBBAVYZBF-UHFFFAOYSA-N 1 0 234.347 1.895 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc2[nH]ccc21 ZINC000131569879 343183708 /nfs/dbraw/zinc/18/37/08/343183708.db2.gz RVCHCZXWIGGBPF-JTQLQIEISA-N 1 0 243.310 1.731 10 0 BDAERO CCOc1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1F ZINC000126465303 343170144 /nfs/dbraw/zinc/17/01/44/343170144.db2.gz NWRAMWWJBSPARO-MRVPVSSYSA-N 1 0 240.278 1.771 10 0 BDAERO C[C@H]1CCN(c2ccnc(N(C)C)n2)[C@H](C[NH3+])C1 ZINC000261551815 136272535 /nfs/dbraw/zinc/27/25/35/136272535.db2.gz YPECDVSJVVNXHR-QWRGUYRKSA-N 1 0 249.362 1.106 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NCC2(C)CC[NH2+]CC2)O1 ZINC000129088483 343176218 /nfs/dbraw/zinc/17/62/18/343176218.db2.gz ZPJVEMHSFDOGMA-GHMZBOCLSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]1CN(c2ncc(F)cc2F)CC[NH2+]1 ZINC000159567744 343202576 /nfs/dbraw/zinc/20/25/76/343202576.db2.gz SHWSSXHOIKIHJA-SSDOTTSWSA-N 1 0 213.231 1.158 10 0 BDAERO CC(C)c1nsc(N2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000168578546 343210235 /nfs/dbraw/zinc/21/02/35/343210235.db2.gz LWUZZJGROLISCU-RKDXNWHRSA-N 1 0 240.376 1.835 10 0 BDAERO Cc1cc(N[C@H](C)C[C@H](C)[NH3+])nc(C)n1 ZINC000165736871 343212395 /nfs/dbraw/zinc/21/23/95/343212395.db2.gz OTWLJISZBWQPIU-JGVFFNPUSA-N 1 0 208.309 1.631 10 0 BDAERO CC[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000166154130 343212784 /nfs/dbraw/zinc/21/27/84/343212784.db2.gz XBNRNWJLIYQZDE-NEPJUHHUSA-N 1 0 224.348 1.635 10 0 BDAERO CCSCC[C@@H](C)[NH2+]CC(C)(C)O ZINC000133891960 343186478 /nfs/dbraw/zinc/18/64/78/343186478.db2.gz UAYMNQPENNQMQF-SECBINFHSA-N 1 0 205.367 1.879 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1c1nc(CCOC)no1 ZINC000071002158 343225101 /nfs/dbraw/zinc/22/51/01/343225101.db2.gz MIHKRZKDSFDTID-BDAKNGLRSA-N 1 0 225.292 1.114 10 0 BDAERO CC[C@@](O)(c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000238299994 343253779 /nfs/dbraw/zinc/25/37/79/343253779.db2.gz DIAVOCCGZXPLMO-CHWSQXEVSA-N 1 0 205.301 1.894 10 0 BDAERO Cc1nc([C@H]2CCCN2C(=O)C[NH3+])cs1 ZINC000083885895 136286980 /nfs/dbraw/zinc/28/69/80/136286980.db2.gz DTJFTNKKJFNIFM-SECBINFHSA-N 1 0 225.317 1.074 10 0 BDAERO O=C(C1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000070266281 343319247 /nfs/dbraw/zinc/31/92/47/343319247.db2.gz JUFBDVDTVXDJCQ-NSHDSACASA-N 1 0 208.305 1.093 10 0 BDAERO CCc1cnc(Cn2cc(C(C)(C)[NH3+])nn2)o1 ZINC000641057049 362166258 /nfs/dbraw/zinc/16/62/58/362166258.db2.gz WUFJSURXRXVFCI-UHFFFAOYSA-N 1 0 235.291 1.071 10 0 BDAERO CN(C)Cc1nc(C2([NH3+])CCC2)cs1 ZINC000165433443 343331850 /nfs/dbraw/zinc/33/18/50/343331850.db2.gz AHLRGNITQSIOJS-UHFFFAOYSA-N 1 0 211.334 1.543 10 0 BDAERO Cc1ccc(C2(CC[NH3+])OCCO2)cc1 ZINC000049813852 178512254 /nfs/dbraw/zinc/51/22/54/178512254.db2.gz HKJPFYUARHBYDY-UHFFFAOYSA-N 1 0 207.273 1.543 10 0 BDAERO CC1(C)CCSC[C@@]12OC[C@@H](C[NH3+])O2 ZINC000134982592 343343448 /nfs/dbraw/zinc/34/34/48/343343448.db2.gz DCKVYYCQHXITIP-SCZZXKLOSA-N 1 0 217.334 1.220 10 0 BDAERO O=C1NCc2ccccc2N1C1CC[NH2+]CC1 ZINC000039381940 343389612 /nfs/dbraw/zinc/38/96/12/343389612.db2.gz LNMLKHVUAXMHNO-UHFFFAOYSA-N 1 0 231.299 1.468 10 0 BDAERO Nc1ccc(N2CC[NH2+]CC2)c(Cl)c1Cl ZINC000148926456 343411653 /nfs/dbraw/zinc/41/16/53/343411653.db2.gz VIVHILXSEWGXDT-UHFFFAOYSA-N 1 0 246.141 1.985 10 0 BDAERO C[C@H]([NH3+])COc1ccc2ncccc2c1 ZINC000041211177 343416876 /nfs/dbraw/zinc/41/68/76/343416876.db2.gz VRYAFCMQQZTEIL-VIFPVBQESA-N 1 0 202.257 1.961 10 0 BDAERO Cc1nccc(C[NH2+][C@H](CO)CC(C)C)n1 ZINC000054790829 136372961 /nfs/dbraw/zinc/37/29/61/136372961.db2.gz JWSVCBOHEPNNAU-LBPRGKRZSA-N 1 0 223.320 1.282 10 0 BDAERO Cc1nccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000054790680 136373130 /nfs/dbraw/zinc/37/31/30/136373130.db2.gz IGRIPMIBWQGTCO-GFCCVEGCSA-N 1 0 246.358 1.359 10 0 BDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000247970850 136373284 /nfs/dbraw/zinc/37/32/84/136373284.db2.gz HLZCTDBUMJEYBF-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H](c2ccc(F)cc2)C1 ZINC000044135813 343492701 /nfs/dbraw/zinc/49/27/01/343492701.db2.gz SEOVEHYCJWRMKS-QWRGUYRKSA-N 1 0 237.274 1.692 10 0 BDAERO CCS(=O)(=O)c1cc(C)ccc1C[NH3+] ZINC000158993684 346944212 /nfs/dbraw/zinc/94/42/12/346944212.db2.gz HETYFBNMCXVXKQ-UHFFFAOYSA-N 1 0 213.302 1.247 10 0 BDAERO CCS(=O)(=O)c1ccc(C[NH3+])c(C)c1 ZINC000158993376 346944291 /nfs/dbraw/zinc/94/42/91/346944291.db2.gz NXVSKZJTPLLTMB-UHFFFAOYSA-N 1 0 213.302 1.247 10 0 BDAERO CC(C)(C)[N@@H+]1CCN[C@H](c2cncnc2)C1 ZINC000616634741 343527615 /nfs/dbraw/zinc/52/76/15/343527615.db2.gz WHVOEWIVDUVZDY-NSHDSACASA-N 1 0 220.320 1.221 10 0 BDAERO [NH3+]CCN1C[C@H](n2cccn2)Cc2ccccc21 ZINC000616672099 343534925 /nfs/dbraw/zinc/53/49/25/343534925.db2.gz IPJITZQXSUFSSR-CYBMUJFWSA-N 1 0 242.326 1.446 10 0 BDAERO CN(C(=O)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000214503608 343536591 /nfs/dbraw/zinc/53/65/91/343536591.db2.gz MTLYWWGJXIBBRL-JTQLQIEISA-N 1 0 212.337 1.633 10 0 BDAERO CC[C@@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)on1 ZINC000204206542 343561353 /nfs/dbraw/zinc/56/13/53/343561353.db2.gz FUPJDERSNHKZOH-SSDOTTSWSA-N 1 0 225.292 1.648 10 0 BDAERO N[C@@H]([C@@H]([NH3+])Cc1ccccc1)C(F)(F)F ZINC000047845220 343567030 /nfs/dbraw/zinc/56/70/30/343567030.db2.gz QVVAVUSJVMSJQJ-IUCAKERBSA-N 1 0 218.222 1.446 10 0 BDAERO C[C@H](CC1CCC1)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624236935 343581892 /nfs/dbraw/zinc/58/18/92/343581892.db2.gz MZABCOONKFFMOR-USWWRNFRSA-N 1 0 213.321 1.305 10 0 BDAERO CN1CC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712536984 537790816 /nfs/dbraw/zinc/79/08/16/537790816.db2.gz SBFAOCOASJVODY-NSHDSACASA-N 1 0 208.330 1.425 10 0 BDAERO C[C@@H]1C[C@]2(CN1C)[NH2+]CCc1ccsc12 ZINC000712559655 537792650 /nfs/dbraw/zinc/79/26/50/537792650.db2.gz YGXAGTIZHZIZFN-BXKDBHETSA-N 1 0 222.357 1.813 10 0 BDAERO C[C@H]1C[C@]2(CN1C)[NH2+]CCc1ccsc12 ZINC000712559657 537792808 /nfs/dbraw/zinc/79/28/08/537792808.db2.gz YGXAGTIZHZIZFN-JOYOIKCWSA-N 1 0 222.357 1.813 10 0 BDAERO COCCOC[C@@H]1[NH2+]CCc2ccsc21 ZINC000712545377 537793278 /nfs/dbraw/zinc/79/32/78/537793278.db2.gz QOKMESCUFSJZPA-JTQLQIEISA-N 1 0 227.329 1.598 10 0 BDAERO Cc1nsc(N2CC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000299915429 343629111 /nfs/dbraw/zinc/62/91/11/343629111.db2.gz UUIIJQOQWBXSHA-HTRCEHHLSA-N 1 0 212.322 1.020 10 0 BDAERO CCCC[C@@H](C[NH3+])Nc1cc(C)ncn1 ZINC000087780235 343660602 /nfs/dbraw/zinc/66/06/02/343660602.db2.gz OFHPBJQJWMCJAV-JTQLQIEISA-N 1 0 208.309 1.714 10 0 BDAERO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(C)C)C1 ZINC000319758741 343665843 /nfs/dbraw/zinc/66/58/43/343665843.db2.gz ZYSOKQSUNKMEFL-QWRGUYRKSA-N 1 0 213.321 1.916 10 0 BDAERO CC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247309481 343704340 /nfs/dbraw/zinc/70/43/40/343704340.db2.gz NYLHTNMTTYFXJZ-PWSUYJOCSA-N 1 0 210.321 1.134 10 0 BDAERO CC1CC(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000621672750 343714146 /nfs/dbraw/zinc/71/41/46/343714146.db2.gz RSUGVDFSYYHCGA-RSJDFQLWSA-N 1 0 224.348 1.537 10 0 BDAERO CCCn1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cn1 ZINC000227285276 343722660 /nfs/dbraw/zinc/72/26/60/343722660.db2.gz DTFKQNDNUUVYSB-QWHCGFSZSA-N 1 0 237.347 1.686 10 0 BDAERO N[C@H](c1cccc(O)c1)[C@@H]([NH3+])c1cccc(O)c1 ZINC000022440804 343725066 /nfs/dbraw/zinc/72/50/66/343725066.db2.gz HCCRMMATDZHBIZ-OKILXGFUSA-N 1 0 244.294 1.798 10 0 BDAERO CN(c1ccc(N)cn1)C1CC[NH+](C)CC1 ZINC000011568733 343771740 /nfs/dbraw/zinc/77/17/40/343771740.db2.gz NXHVNCXFBLAXKY-UHFFFAOYSA-N 1 0 220.320 1.194 10 0 BDAERO Nc1ccc2nc(NCC[NH3+])sc2c1 ZINC000063104567 343748878 /nfs/dbraw/zinc/74/88/78/343748878.db2.gz LINCHTWQQAMFML-UHFFFAOYSA-N 1 0 208.290 1.249 10 0 BDAERO Cc1nn(CC(F)F)c(C)c1[C@H](C)[NH3+] ZINC000054716400 343750377 /nfs/dbraw/zinc/75/03/77/343750377.db2.gz YTMQMMQTQUAYRI-YFKPBYRVSA-N 1 0 203.236 1.785 10 0 BDAERO CC[NH+](CC)CCNc1cc(Cl)ncn1 ZINC000048631178 343782023 /nfs/dbraw/zinc/78/20/23/343782023.db2.gz AUUBBZSNTOORDU-UHFFFAOYSA-N 1 0 228.727 1.884 10 0 BDAERO [NH3+][C@@H]1CCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000045948681 343782062 /nfs/dbraw/zinc/78/20/62/343782062.db2.gz HBCPSKXEFJHGCR-SECBINFHSA-N 1 0 229.283 1.341 10 0 BDAERO CCOc1ccccc1Cn1cc(C[NH3+])nn1 ZINC000050224346 343782927 /nfs/dbraw/zinc/78/29/27/343782927.db2.gz SJARANVMEPTLQJ-UHFFFAOYSA-N 1 0 232.287 1.184 10 0 BDAERO CC(C)c1noc(C[C@H]2CCCC[NH2+]2)n1 ZINC000096869418 343785199 /nfs/dbraw/zinc/78/51/99/343785199.db2.gz RGNAZWZLZCUPTL-SECBINFHSA-N 1 0 209.293 1.878 10 0 BDAERO CNc1cc(NC2CCC(O)CC2)nc(C)[nH+]1 ZINC000097678801 343785228 /nfs/dbraw/zinc/78/52/28/343785228.db2.gz SBHDACULCOCFFQ-UHFFFAOYSA-N 1 0 236.319 1.542 10 0 BDAERO CC1CCN(c2ccc([C@@H](O)C[NH3+])o2)CC1 ZINC000213602270 343792395 /nfs/dbraw/zinc/79/23/95/343792395.db2.gz VRVAJYSXOIRYAV-JTQLQIEISA-N 1 0 224.304 1.508 10 0 BDAERO c1ccc2c(c1)CC(O[C@@H]1CCC[NH2+]C1)C2 ZINC000231562949 343794102 /nfs/dbraw/zinc/79/41/02/343794102.db2.gz GRAPUZCCITUUND-CYBMUJFWSA-N 1 0 217.312 1.922 10 0 BDAERO CC(C)N(C(=O)OC1CC[NH2+]CC1)C(C)C ZINC000231561739 343794185 /nfs/dbraw/zinc/79/41/85/343794185.db2.gz CXYYOMLNJYVUCT-UHFFFAOYSA-N 1 0 228.336 1.994 10 0 BDAERO CCN(CC(=[NH2+])NO)C1CCSCC1 ZINC000409427786 343801577 /nfs/dbraw/zinc/80/15/77/343801577.db2.gz FKUJLLAMPFNTOE-UHFFFAOYSA-N 1 0 217.338 1.160 10 0 BDAERO COCc1ccc2c(c1)N(CC(=[NH2+])NO)CC2 ZINC000409427771 343801828 /nfs/dbraw/zinc/80/18/28/343801828.db2.gz FJWWTWNKJBOBPQ-UHFFFAOYSA-N 1 0 235.287 1.152 10 0 BDAERO OCc1ccc2c(c1)C[N@@H+](CC1CC1)CCO2 ZINC000409421957 343811971 /nfs/dbraw/zinc/81/19/71/343811971.db2.gz AJYAUALBIXQSKB-UHFFFAOYSA-N 1 0 233.311 1.783 10 0 BDAERO CC(C)C1CCC(C(=O)N2CC([NH3+])C2)CC1 ZINC000409422379 343813278 /nfs/dbraw/zinc/81/32/78/343813278.db2.gz DFEXDRLFCWCUTA-UHFFFAOYSA-N 1 0 224.348 1.618 10 0 BDAERO COc1ccccc1[C@@H](F)CN1CC[NH2+]CC1 ZINC000409422381 343813477 /nfs/dbraw/zinc/81/34/77/343813477.db2.gz DGBRGWAQTGFJQM-LBPRGKRZSA-N 1 0 238.306 1.611 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@H]2CF)cc1 ZINC000409422905 343814436 /nfs/dbraw/zinc/81/44/36/343814436.db2.gz MBTFJWPNHRSPBP-PWSUYJOCSA-N 1 0 209.264 1.968 10 0 BDAERO O=Cc1cn([C@@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000409423222 343814945 /nfs/dbraw/zinc/81/49/45/343814945.db2.gz AWBCUSCLSJLEGS-GFCCVEGCSA-N 1 0 234.303 1.280 10 0 BDAERO FC[C@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)CCO2 ZINC000409423290 343815396 /nfs/dbraw/zinc/81/53/96/343815396.db2.gz POSPEQOBZJHEEP-NWDGAFQWSA-N 1 0 221.275 1.894 10 0 BDAERO FC[C@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)OCO2 ZINC000409423882 343816407 /nfs/dbraw/zinc/81/64/07/343816407.db2.gz VILXRYMLMJLMAU-VHSXEESVSA-N 1 0 223.247 1.688 10 0 BDAERO c1nn(C[C@@H]2CCOC2)cc1C1CC[NH2+]CC1 ZINC000409424239 343817335 /nfs/dbraw/zinc/81/73/35/343817335.db2.gz GBVYSVOKDSINMT-NSHDSACASA-N 1 0 235.331 1.387 10 0 BDAERO NC(=[NH2+])N1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409425479 343819229 /nfs/dbraw/zinc/81/92/29/343819229.db2.gz GCZCORFCBNIOQD-BQBZGAKWSA-N 1 0 203.236 1.247 10 0 BDAERO Cc1ccc2c(c1)CN(C(=O)[C@H](C)[NH3+])CCO2 ZINC000409425616 343819894 /nfs/dbraw/zinc/81/98/94/343819894.db2.gz AYKISXAXFPRVDW-JTQLQIEISA-N 1 0 234.299 1.063 10 0 BDAERO [NH3+]Cc1cccnc1OCC1CC(F)(F)C1 ZINC000409425789 343820193 /nfs/dbraw/zinc/82/01/93/343820193.db2.gz MXFPUPSNJODOHH-UHFFFAOYSA-N 1 0 228.242 1.964 10 0 BDAERO CC[C@@H](C)Nc1cc(OCC[NH3+])ncn1 ZINC000409431615 343823916 /nfs/dbraw/zinc/82/39/16/343823916.db2.gz XQYOOTOIYWKKOR-MRVPVSSYSA-N 1 0 210.281 1.025 10 0 BDAERO [NH2+]=C(CN1C[C@H]2CCCC(F)(F)[C@@H]2C1)NO ZINC000409428704 343804295 /nfs/dbraw/zinc/80/42/95/343804295.db2.gz MVWLYYWDDIWRQS-HTQZYQBOSA-N 1 0 233.262 1.310 10 0 BDAERO CCN(C(=O)[C@@H]1CC[NH2+]C1)C1CCSCC1 ZINC000409429597 343806101 /nfs/dbraw/zinc/80/61/01/343806101.db2.gz HQHPSHGRGDAAFH-SNVBAGLBSA-N 1 0 242.388 1.340 10 0 BDAERO COCc1cccc2c1CCN2C(=O)CC[NH3+] ZINC000409430333 343808217 /nfs/dbraw/zinc/80/82/17/343808217.db2.gz IKEFNFDKBVTZFO-UHFFFAOYSA-N 1 0 234.299 1.071 10 0 BDAERO [NH3+]CCn1nc(C(F)(F)F)c2c1CCC2 ZINC000409440613 343852910 /nfs/dbraw/zinc/85/29/10/343852910.db2.gz URJXTKXVXFMAIN-UHFFFAOYSA-N 1 0 219.210 1.349 10 0 BDAERO Cc1[nH]nc(C2CCOCC2)c1CC[NH3+] ZINC000409440713 343853947 /nfs/dbraw/zinc/85/39/47/343853947.db2.gz ODUARIGZAXAMJV-UHFFFAOYSA-N 1 0 209.293 1.113 10 0 BDAERO C[NH2+]Cc1c(C)[nH]nc1-c1ccncc1 ZINC000409440735 343854521 /nfs/dbraw/zinc/85/45/21/343854521.db2.gz OOPCKNIDKNAUPQ-UHFFFAOYSA-N 1 0 202.261 1.500 10 0 BDAERO Nc1cc(C(F)(F)F)nn1C[C@@H]1CCCC[NH2+]1 ZINC000409441205 343855508 /nfs/dbraw/zinc/85/55/08/343855508.db2.gz XKHXYXQFXJWNFD-ZETCQYMHSA-N 1 0 248.252 1.626 10 0 BDAERO CCOC[C@@H]1CN(C(N)=[NH2+])C[C@H]1C(F)(F)F ZINC000409433004 343828651 /nfs/dbraw/zinc/82/86/51/343828651.db2.gz MBRQQSQCULYXAW-NKWVEPMBSA-N 1 0 239.241 1.027 10 0 BDAERO CCOC[C@]1(C(F)(F)F)CCN(CC[NH3+])C1 ZINC000409435575 343834352 /nfs/dbraw/zinc/83/43/52/343834352.db2.gz VLMVHKFZILOEEA-VIFPVBQESA-N 1 0 240.269 1.236 10 0 BDAERO NC(=[NH2+])c1nc(Br)c2ccccn21 ZINC000409440894 343856782 /nfs/dbraw/zinc/85/67/82/343856782.db2.gz MRUOLJAZSBMFCY-UHFFFAOYSA-N 1 0 239.076 1.381 10 0 BDAERO C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H]1CCCO1 ZINC000392765163 349875981 /nfs/dbraw/zinc/87/59/81/349875981.db2.gz SHGKNUYQTQSBHV-KOLCDFICSA-N 1 0 222.288 1.444 10 0 BDAERO [NH3+]Cc1cn(CC2CC2)nc1-c1cnccn1 ZINC000409436814 343841274 /nfs/dbraw/zinc/84/12/74/343841274.db2.gz AWQCQNNYYOKMQN-UHFFFAOYSA-N 1 0 229.287 1.209 10 0 BDAERO c1cc(-c2cnn(C[C@@H]3CCC[NH2+]3)c2)co1 ZINC000409436809 343841349 /nfs/dbraw/zinc/84/13/49/343841349.db2.gz AUKQWGDHRKBBDU-LBPRGKRZSA-N 1 0 217.272 1.895 10 0 BDAERO C[NH2+]CCc1c[nH]nc1-c1cccnc1 ZINC000409436830 343841451 /nfs/dbraw/zinc/84/14/51/343841451.db2.gz BGENMNHOSZRHJV-UHFFFAOYSA-N 1 0 202.261 1.234 10 0 BDAERO OCCn1nc([C@H]2CCCC[NH2+]2)c2c1CCC2 ZINC000409437082 343842317 /nfs/dbraw/zinc/84/23/17/343842317.db2.gz DIHQAQQDFKHPBR-LLVKDONJSA-N 1 0 235.331 1.179 10 0 BDAERO CCn1cc(CC(N)=[NH2+])c(-c2ccncc2)n1 ZINC000409438528 343844272 /nfs/dbraw/zinc/84/42/72/343844272.db2.gz LSOCSFZMMNRXJM-UHFFFAOYSA-N 1 0 229.287 1.443 10 0 BDAERO NC(=[NH2+])c1cn(CCF)nc1-c1cccnc1 ZINC000409438627 343844850 /nfs/dbraw/zinc/84/48/50/343844850.db2.gz MKQVYBUUYSOGPO-UHFFFAOYSA-N 1 0 233.250 1.199 10 0 BDAERO [NH3+][C@@H](C[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)[O-] ZINC000409438946 343845943 /nfs/dbraw/zinc/84/59/43/343845943.db2.gz FDERBAPGJDUIQS-STQMWFEESA-N 1 0 248.326 1.626 10 0 BDAERO [NH3+]CCn1ccn2nc(-c3ccccn3)cc12 ZINC000409438872 343846008 /nfs/dbraw/zinc/84/60/08/343846008.db2.gz PJXHEVLNQKKNNH-UHFFFAOYSA-N 1 0 227.271 1.157 10 0 BDAERO Cc1[nH]nc(-c2cccnc2)c1CC[NH3+] ZINC000409440276 343851097 /nfs/dbraw/zinc/85/10/97/343851097.db2.gz LYBJLHZPAKTIDU-UHFFFAOYSA-N 1 0 202.261 1.281 10 0 BDAERO Cc1[nH]nc(C2CC2)c1CCN1CC[NH2+]CC1 ZINC000409440306 343851715 /nfs/dbraw/zinc/85/17/15/343851715.db2.gz MFUMXOYROSBUEZ-UHFFFAOYSA-N 1 0 234.347 1.043 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCOC2)C[C@H](C)O1 ZINC000336733222 537832601 /nfs/dbraw/zinc/83/26/01/537832601.db2.gz GIUDFYZFZIBJRP-YVECIDJPSA-N 1 0 227.348 1.959 10 0 BDAERO C[NH2+][C@@H]1CCC[C@H]1c1noc(C2CC2)n1 ZINC000409441385 343859069 /nfs/dbraw/zinc/85/90/69/343859069.db2.gz PDLSCSZKSRVXJY-RKDXNWHRSA-N 1 0 207.277 1.803 10 0 BDAERO c1[nH]nc(C2CCC2)c1CCN1CC[NH2+]CC1 ZINC000409441752 343861104 /nfs/dbraw/zinc/86/11/04/343861104.db2.gz TUYTTWNUDWZHSH-UHFFFAOYSA-N 1 0 234.347 1.125 10 0 BDAERO NC(=[NH2+])c1cc(-c2ccncc2)nn1C(F)F ZINC000409443653 343862456 /nfs/dbraw/zinc/86/24/56/343862456.db2.gz QVCPAZSRLIRMBC-UHFFFAOYSA-N 1 0 237.213 1.624 10 0 BDAERO NC(=[NH2+])c1cc(-c2cnccn2)nn1C(F)F ZINC000409442863 343864680 /nfs/dbraw/zinc/86/46/80/343864680.db2.gz CFAXPYIADNBDRM-UHFFFAOYSA-N 1 0 238.201 1.019 10 0 BDAERO Cc1cc(C(F)(F)F)nn1CC(N)=[NH2+] ZINC000409442896 343864991 /nfs/dbraw/zinc/86/49/91/343864991.db2.gz CRPANAUEMVVXOE-UHFFFAOYSA-N 1 0 206.171 1.146 10 0 BDAERO [NH3+]Cc1cc(-c2ccncc2)nn1CCF ZINC000409443492 343867542 /nfs/dbraw/zinc/86/75/42/343867542.db2.gz NVTNLSDKHHIXBW-UHFFFAOYSA-N 1 0 220.251 1.373 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2cc(N)ns2)C1 ZINC000234322409 343940907 /nfs/dbraw/zinc/94/09/07/343940907.db2.gz HJNVGPQDVUSXFM-SSDOTTSWSA-N 1 0 212.322 1.231 10 0 BDAERO CC(C)=C[C@@H]([NH3+])[C@H]1CSCCN1C ZINC000234326610 343941678 /nfs/dbraw/zinc/94/16/78/343941678.db2.gz LPBWCXJZKIVLCD-NXEZZACHSA-N 1 0 200.351 1.327 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@H]2CCSC2)n1 ZINC000070005016 343946245 /nfs/dbraw/zinc/94/62/45/343946245.db2.gz ZSPMUUCYHHVPTI-RQJHMYQMSA-N 1 0 213.306 1.352 10 0 BDAERO [NH3+]CCC(=O)Nc1c(F)cccc1Cl ZINC000135249135 343975362 /nfs/dbraw/zinc/97/53/62/343975362.db2.gz BABILWAAXDKCCO-UHFFFAOYSA-N 1 0 216.643 1.766 10 0 BDAERO CCc1nnc(C[N@@H+]2CCCC[C@H](C)C2)n1C ZINC000187944403 259371850 /nfs/dbraw/zinc/37/18/50/259371850.db2.gz BYAIRURZEUMRLG-NSHDSACASA-N 1 0 236.363 2.000 10 0 BDAERO CC(C)([NH3+])c1cn(C[C@@H]2CCC(C)(C)O2)nn1 ZINC000160838668 362331673 /nfs/dbraw/zinc/33/16/73/362331673.db2.gz FQKGOPVHOJAHPS-VIFPVBQESA-N 1 0 238.335 1.430 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1C(F)(F)F ZINC000220139803 344050872 /nfs/dbraw/zinc/05/08/72/344050872.db2.gz LVQKNRZUYHJZLN-SSDOTTSWSA-N 1 0 210.243 1.621 10 0 BDAERO CCC[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233333960 344064832 /nfs/dbraw/zinc/06/48/32/344064832.db2.gz XEMFMIPKNCUKRQ-OUAUKWLOSA-N 1 0 212.337 1.489 10 0 BDAERO C[C@@H]1C[N@@H+](CC(C)(C)CO)C[C@H](C)S1 ZINC000069909293 344078061 /nfs/dbraw/zinc/07/80/61/344078061.db2.gz RCRGZKLNPDGHJN-AOOOYVTPSA-N 1 0 217.378 1.831 10 0 BDAERO C[C@@H]1C[NH+](CC(C)(C)CO)C[C@@H](C)O1 ZINC000051291719 347026885 /nfs/dbraw/zinc/02/68/85/347026885.db2.gz VAJGLXMQKUYCEH-NXEZZACHSA-N 1 0 201.310 1.114 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccccc1 ZINC000616569643 344171194 /nfs/dbraw/zinc/17/11/94/344171194.db2.gz JGYVGWYLIDWHRP-KBPBESRZSA-N 1 0 246.354 1.733 10 0 BDAERO CCc1cccc(F)c1C[NH2+][C@@H]1C[C@H]1CO ZINC000381196124 344172328 /nfs/dbraw/zinc/17/23/28/344172328.db2.gz BCPLTVHEKUYNHB-GXFFZTMASA-N 1 0 223.291 1.859 10 0 BDAERO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CSCCN2)C1 ZINC000157925586 344121010 /nfs/dbraw/zinc/12/10/10/344121010.db2.gz DEKYFLDQVZWQRU-OUAUKWLOSA-N 1 0 214.378 1.422 10 0 BDAERO CCCCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735310 344123267 /nfs/dbraw/zinc/12/32/67/344123267.db2.gz BXXMXUKGHHERPW-AAEUAGOBSA-N 1 0 224.348 1.683 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000040630360 344130222 /nfs/dbraw/zinc/13/02/22/344130222.db2.gz VBGAUABKENASFB-CHWSQXEVSA-N 1 0 248.326 1.022 10 0 BDAERO COC1(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CCC1 ZINC000234639172 344160082 /nfs/dbraw/zinc/16/00/82/344160082.db2.gz GXUOKAJPWRSDJA-QWHCGFSZSA-N 1 0 238.375 1.724 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@H]1CCOC1 ZINC000129150071 344211427 /nfs/dbraw/zinc/21/14/27/344211427.db2.gz IBLIJRFMUCVKRN-BJDJZHNGSA-N 1 0 213.321 1.162 10 0 BDAERO O=C(NCCCC1CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634755730 344216994 /nfs/dbraw/zinc/21/69/94/344216994.db2.gz GWGJEQXULVACRG-JSGCOSHPSA-N 1 0 236.359 1.683 10 0 BDAERO CCC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000616571905 344181336 /nfs/dbraw/zinc/18/13/36/344181336.db2.gz OKKAMQJFZGHDNT-NKWVEPMBSA-N 1 0 224.226 1.135 10 0 BDAERO COC[C@@H]([NH3+])c1ccoc1Br ZINC000234692813 344204928 /nfs/dbraw/zinc/20/49/28/344204928.db2.gz JXNXFLUYYIMANX-ZCFIWIBFSA-N 1 0 220.066 1.688 10 0 BDAERO C[C@@]1(N2C(=O)c3ccccc3C2=O)CC[NH2+]C1 ZINC000230752934 347040199 /nfs/dbraw/zinc/04/01/99/347040199.db2.gz CLSIVKGBGARZEJ-CYBMUJFWSA-N 1 0 230.267 1.035 10 0 BDAERO C[C@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)[C@H]1C ZINC000634761438 344250225 /nfs/dbraw/zinc/25/02/25/344250225.db2.gz BMRNNBGFDUCIKC-MNXVOIDGSA-N 1 0 236.359 1.633 10 0 BDAERO C[C@@](O)(C[NH3+])Cc1cc(F)ccc1Cl ZINC000165989272 344268282 /nfs/dbraw/zinc/26/82/82/344268282.db2.gz FLEAXOGBNJTXGG-JTQLQIEISA-N 1 0 217.671 1.731 10 0 BDAERO Cc1cc(Br)cn(C[C@@H](C)[NH3+])c1=O ZINC000222871635 344271482 /nfs/dbraw/zinc/27/14/82/344271482.db2.gz UUIZXNOKCCFHFZ-SSDOTTSWSA-N 1 0 245.120 1.266 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000132290767 344297354 /nfs/dbraw/zinc/29/73/54/344297354.db2.gz CWYCCSVQRIUYKQ-AXFHLTTASA-N 1 0 233.377 1.588 10 0 BDAERO CCN(CC(F)F)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770835 344284566 /nfs/dbraw/zinc/28/45/66/344284566.db2.gz YJFUTYFASUYICQ-CABZTGNLSA-N 1 0 246.301 1.490 10 0 BDAERO O=C(N[C@H]1CC12CC2)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770877 344285719 /nfs/dbraw/zinc/28/57/19/344285719.db2.gz AAVSLSAPLWQKFU-KWBADKCTSA-N 1 0 220.316 1.045 10 0 BDAERO CC(C)c1cc(N2C[C@H]([NH3+])C[C@H]2C)ncn1 ZINC000384987205 344285974 /nfs/dbraw/zinc/28/59/74/344285974.db2.gz LBMSCWKITQCGBV-NXEZZACHSA-N 1 0 220.320 1.526 10 0 BDAERO CCSCC[C@@H](C)N[C@@H]1CC[NH2+]C1 ZINC000133773183 344321506 /nfs/dbraw/zinc/32/15/06/344321506.db2.gz LNBGVGGYQGSZBM-NXEZZACHSA-N 1 0 202.367 1.470 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1nccc2occc21 ZINC000385090555 344323367 /nfs/dbraw/zinc/32/33/67/344323367.db2.gz LVMNVNUUYINQEG-RKDXNWHRSA-N 1 0 217.272 1.754 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1ccnc2cccnc21 ZINC000385105362 344326611 /nfs/dbraw/zinc/32/66/11/344326611.db2.gz QPIPMYZOTCRKOH-UWVGGRQHSA-N 1 0 228.299 1.556 10 0 BDAERO CCc1ncnc(N2C[C@@H]([NH3+])C[C@@H]2C)c1F ZINC000385128304 344333776 /nfs/dbraw/zinc/33/37/76/344333776.db2.gz XSJWBXPUMZIBST-YUMQZZPRSA-N 1 0 224.283 1.104 10 0 BDAERO COc1ncc(Cl)c(N2C[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000385185381 344365951 /nfs/dbraw/zinc/36/59/51/344365951.db2.gz KODUZQWDPQXXLW-BQBZGAKWSA-N 1 0 242.710 1.065 10 0 BDAERO CC(C)(C)OC(=O)c1ccc[nH+]c1NN ZINC000146665408 344367067 /nfs/dbraw/zinc/36/70/67/344367067.db2.gz HZXWGIZDRDYGHJ-UHFFFAOYSA-N 1 0 209.249 1.323 10 0 BDAERO O=C(CN1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000061710949 344357606 /nfs/dbraw/zinc/35/76/06/344357606.db2.gz SLVOKXCUMVJWBJ-LLVKDONJSA-N 1 0 223.247 1.075 10 0 BDAERO C[C@H]1C[NH2+]CCN(C/C(Cl)=C\Cl)C1 ZINC000385215280 344377283 /nfs/dbraw/zinc/37/72/83/344377283.db2.gz BTOSQQMAJBKPIL-DHFUWRPHSA-N 1 0 223.147 1.847 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1nnc(C(F)F)s1 ZINC000385265574 344384808 /nfs/dbraw/zinc/38/48/08/344384808.db2.gz RFHRBSSLWKUEBB-WHFBIAKZSA-N 1 0 234.275 1.402 10 0 BDAERO CCc1cc(CC)nc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385252176 344386262 /nfs/dbraw/zinc/38/62/62/344386262.db2.gz OGTBRPNNULBJGY-NXEZZACHSA-N 1 0 234.347 1.527 10 0 BDAERO CCOC(=O)c1ccc(N[C@@H]2CC[NH2+][C@H]2C)nc1 ZINC000600957026 344408433 /nfs/dbraw/zinc/40/84/33/344408433.db2.gz JUTYDDRQIXEMCB-GXSJLCMTSA-N 1 0 249.314 1.421 10 0 BDAERO C[NH2+][C@H]1CCC(C)(C)C[C@H]1S(=O)(=O)C(C)C ZINC000081981451 537846738 /nfs/dbraw/zinc/84/67/38/537846738.db2.gz CEJQWSRYXRMFSS-WDEREUQCSA-N 1 0 247.404 1.976 10 0 BDAERO CO[C@@]1(C)CCC[N@@H+](C(C)(C)C[NH3+])C1 ZINC000230248826 344469229 /nfs/dbraw/zinc/46/92/29/344469229.db2.gz HXRRFFQNUJLYAH-NSHDSACASA-N 1 0 200.326 1.225 10 0 BDAERO Cc1nc[nH]c1C[NH2+][C@H]1CCCSC1 ZINC000220674855 344567837 /nfs/dbraw/zinc/56/78/37/344567837.db2.gz PNIFIJDCIQWIDW-VIFPVBQESA-N 1 0 211.334 1.703 10 0 BDAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCN(C)C1 ZINC000220690589 344568709 /nfs/dbraw/zinc/56/87/09/344568709.db2.gz NNONRUXPZZXQKS-AEJSXWLSSA-N 1 0 200.351 1.174 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H]2CCCSC2)C1 ZINC000220772027 344581202 /nfs/dbraw/zinc/58/12/02/344581202.db2.gz PFCAQOCCFCFEBA-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO CCC[C@@]1(C2CC2)[NH2+]CCc2nc[nH]c21 ZINC000400404066 537853793 /nfs/dbraw/zinc/85/37/93/537853793.db2.gz PLPUUYVSEYXXPH-LBPRGKRZSA-N 1 0 205.305 1.961 10 0 BDAERO CNc1snnc1CN(C)C1CCC1 ZINC000127804523 344656372 /nfs/dbraw/zinc/65/63/72/344656372.db2.gz CAYQFDKZFXWLGM-UHFFFAOYSA-N 1 0 212.322 1.564 10 0 BDAERO C[C@]1([C@H]2[NH2+]CCc3nc[nH]c32)CCCS1 ZINC000400393953 537854188 /nfs/dbraw/zinc/85/41/88/537854188.db2.gz NQYQXSYNPWOKLK-WDEREUQCSA-N 1 0 223.345 1.882 10 0 BDAERO NC[C@]1([NH2+]C2CC2)CCc2ccccc2C1 ZINC000050271342 344665239 /nfs/dbraw/zinc/66/52/39/344665239.db2.gz FHWBQYAXLGLHDT-AWEZNQCLSA-N 1 0 216.328 1.625 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000248576315 537854379 /nfs/dbraw/zinc/85/43/79/537854379.db2.gz PMEJDGLNTDXLSE-IJLUTSLNSA-N 1 0 215.337 1.410 10 0 BDAERO CN([C@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000221120009 344678838 /nfs/dbraw/zinc/67/88/38/344678838.db2.gz HYAQEMZWGSOUSM-ZJUUUORDSA-N 1 0 200.351 1.176 10 0 BDAERO C[C@H]1C[C@]2(CN1C)[NH2+]C(C)(C)CS2 ZINC000127758300 344644000 /nfs/dbraw/zinc/64/40/00/344644000.db2.gz KJQPHNVOODMSLY-WPRPVWTQSA-N 1 0 200.351 1.522 10 0 BDAERO O=C1CCCC[C@@H]1[NH+]1CCC(CO)CC1 ZINC000050131872 344646954 /nfs/dbraw/zinc/64/69/54/344646954.db2.gz IZHHXOGFELIKNJ-NSHDSACASA-N 1 0 211.305 1.202 10 0 BDAERO C[C@@H]1CC[S@@](=O)C[C@H](C2CCCC2)[NH2+]1 ZINC000158684965 344721580 /nfs/dbraw/zinc/72/15/80/344721580.db2.gz JZPPNKBRRYJPIQ-UDZFHETQSA-N 1 0 215.362 1.676 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCOC2)CS1 ZINC000158694175 344726485 /nfs/dbraw/zinc/72/64/85/344726485.db2.gz FTKFAXTYSLWXPW-OPRDCNLKSA-N 1 0 201.335 1.507 10 0 BDAERO CC1CCC(O)(C[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000128070707 344730412 /nfs/dbraw/zinc/73/04/12/344730412.db2.gz URBLUAJXMGQVTM-ROKHWSDSSA-N 1 0 241.375 1.774 10 0 BDAERO Nc1n[nH]c2ncc(C3CCC(C[NH3+])CC3)cc12 ZINC000116592675 344733077 /nfs/dbraw/zinc/73/30/77/344733077.db2.gz PLXKTFMFFSYUNY-UHFFFAOYSA-N 1 0 245.330 1.773 10 0 BDAERO CC(C)=C(F)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158623073 344701822 /nfs/dbraw/zinc/70/18/22/344701822.db2.gz FLVLFFBCZFYHKV-MRVPVSSYSA-N 1 0 200.257 1.200 10 0 BDAERO O=C(OCc1ccccc1)[C@@H]1C[C@H](F)CN1 ZINC000214746238 344713040 /nfs/dbraw/zinc/71/30/40/344713040.db2.gz XKQYQRYDLLWBNH-QWRGUYRKSA-N 1 0 223.247 1.430 10 0 BDAERO [NH3+]Cc1coc(N2CCCSCC2)n1 ZINC000166151642 344750042 /nfs/dbraw/zinc/75/00/42/344750042.db2.gz CYBYAVQCSHRZRE-UHFFFAOYSA-N 1 0 213.306 1.077 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)[C@H](C)C1CC1 ZINC000248649119 537858150 /nfs/dbraw/zinc/85/81/50/537858150.db2.gz KPDGKVKQOUGEEM-YPMHNXCESA-N 1 0 229.364 1.894 10 0 BDAERO CC[C@@H]1C[C@@]2(CCO1)[NH2+]CCc1nc[nH]c12 ZINC000400593184 537861018 /nfs/dbraw/zinc/86/10/18/537861018.db2.gz YWHAYIQXTGYMGQ-BXKDBHETSA-N 1 0 221.304 1.340 10 0 BDAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000062810228 347081973 /nfs/dbraw/zinc/08/19/73/347081973.db2.gz FYKKSCPXZTXCOV-CSMHCCOUSA-N 1 0 236.237 1.135 10 0 BDAERO CC(C)(C)C(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675068865 537863855 /nfs/dbraw/zinc/86/38/55/537863855.db2.gz FHIIKYOYTDCHTM-CHWFTXMASA-N 1 0 224.348 1.522 10 0 BDAERO CC1(C)CN(C(=O)c2ccccc2O)CC[C@H]1[NH3+] ZINC000310737551 344851442 /nfs/dbraw/zinc/85/14/42/344851442.db2.gz ZSFQRUOYYYPUNV-GFCCVEGCSA-N 1 0 248.326 1.592 10 0 BDAERO C[C@@H]1SCC[C@@]1(CN)[N@H+](C)C1CCC1 ZINC000235329459 344885198 /nfs/dbraw/zinc/88/51/98/344885198.db2.gz FXXLMMMAYHMHLE-ONGXEEELSA-N 1 0 214.378 1.694 10 0 BDAERO Cc1nc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)[nH]c1C ZINC000628176160 344900466 /nfs/dbraw/zinc/90/04/66/344900466.db2.gz YNXBOFOLVJRIJF-GWCFXTLKSA-N 1 0 248.374 1.695 10 0 BDAERO C[C@H](C[NH3+])Nc1ncc(Br)cc1F ZINC000235470675 344922400 /nfs/dbraw/zinc/92/24/00/344922400.db2.gz DIQPGNNCTFOGMT-RXMQYKEDSA-N 1 0 248.099 1.742 10 0 BDAERO Cc1ccnc(NC[C@H](C)[NH3+])c1Br ZINC000235489783 344923636 /nfs/dbraw/zinc/92/36/36/344923636.db2.gz CNXFOEKZABGYSC-ZETCQYMHSA-N 1 0 244.136 1.912 10 0 BDAERO [NH3+]Cc1cc(N2CCCC2)ncc1Cl ZINC000166556246 344927018 /nfs/dbraw/zinc/92/70/18/344927018.db2.gz WLHIHDZATUTLNV-UHFFFAOYSA-N 1 0 211.696 1.794 10 0 BDAERO C[C@H]1CCN(C(=O)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000235578791 344947850 /nfs/dbraw/zinc/94/78/50/344947850.db2.gz SJKVJYDOWXNSNU-BQBZGAKWSA-N 1 0 224.226 1.135 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(OC(F)F)cc1 ZINC000044232880 344988325 /nfs/dbraw/zinc/98/83/25/344988325.db2.gz XYAGAMCOAQSHJE-SECBINFHSA-N 1 0 217.215 1.670 10 0 BDAERO [NH3+][C@H](CCO)c1ccc(F)c(F)c1F ZINC000044233013 344988471 /nfs/dbraw/zinc/98/84/71/344988471.db2.gz YLUQSZPRZNNUNP-SSDOTTSWSA-N 1 0 205.179 1.486 10 0 BDAERO C[C@H]1OCC[C@H]1Sc1ccnc(N)c1 ZINC000235671724 345008734 /nfs/dbraw/zinc/00/87/34/345008734.db2.gz CJKOGYOCQYHGMH-VXNVDRBHSA-N 1 0 210.302 1.933 10 0 BDAERO COc1cccc(C[NH2+][C@H]2CCC[C@@H](O)C2)n1 ZINC000235003449 537883216 /nfs/dbraw/zinc/88/32/16/537883216.db2.gz FZOQNDZRFCIZPA-CMPLNLGQSA-N 1 0 236.315 1.483 10 0 BDAERO Cn1ccnc1[C@@H]([NH3+])c1ccc(O)cc1 ZINC000011848561 345029693 /nfs/dbraw/zinc/02/96/93/345029693.db2.gz MBZUETXAVCGUNR-JTQLQIEISA-N 1 0 203.245 1.174 10 0 BDAERO [NH3+][C@H](Cn1cccn1)c1ccc(F)cc1 ZINC000011849811 345032761 /nfs/dbraw/zinc/03/27/61/345032761.db2.gz CROLHOFASJRCDP-LLVKDONJSA-N 1 0 205.236 1.722 10 0 BDAERO COc1cc[nH+]c(N)c1OC(F)(F)F ZINC000238385198 345037701 /nfs/dbraw/zinc/03/77/01/345037701.db2.gz KIQCWURJRSXJTE-UHFFFAOYSA-N 1 0 208.139 1.571 10 0 BDAERO c1sc(C[NH2+]CC2CC2)nc1CN1CCC1 ZINC000667594195 537884153 /nfs/dbraw/zinc/88/41/53/537884153.db2.gz JJUBSRVBASKCRG-UHFFFAOYSA-N 1 0 237.372 1.848 10 0 BDAERO Cn1cc(Br)c([C@H]2CCC[NH2+]2)n1 ZINC000238570759 345080510 /nfs/dbraw/zinc/08/05/10/345080510.db2.gz BEXYMVDNSBVBRE-SSDOTTSWSA-N 1 0 230.109 1.607 10 0 BDAERO [NH3+]CCNc1c(F)c(F)cc(F)c1F ZINC000238589522 345083913 /nfs/dbraw/zinc/08/39/13/345083913.db2.gz VCFNBGFXGSIFOE-UHFFFAOYSA-N 1 0 208.158 1.614 10 0 BDAERO FC(F)(F)c1cccc(C2C[NH2+]C2)n1 ZINC000238593322 345085893 /nfs/dbraw/zinc/08/58/93/345085893.db2.gz JJMQPZDNJJCOCS-UHFFFAOYSA-N 1 0 202.179 1.787 10 0 BDAERO C[C@@H]1CCC[N@@H+]1C1CCN(c2cnccn2)CC1 ZINC000154907629 345056539 /nfs/dbraw/zinc/05/65/39/345056539.db2.gz WEZKPKSHEDEVBN-GFCCVEGCSA-N 1 0 246.358 1.930 10 0 BDAERO COCC[NH2+]CCN(C)Cc1ccccc1 ZINC000044412983 345058562 /nfs/dbraw/zinc/05/85/62/345058562.db2.gz PQGGGKHLFXUZEI-UHFFFAOYSA-N 1 0 222.332 1.354 10 0 BDAERO Cc1cc(C[NH3+])nc(OC(F)(F)F)c1 ZINC000238485125 345058935 /nfs/dbraw/zinc/05/89/35/345058935.db2.gz UGQBSODKSVTMIG-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO Cc1cc(C[NH3+])ncc1OC(F)(F)F ZINC000238485376 345058945 /nfs/dbraw/zinc/05/89/45/345058945.db2.gz YLBGRMBAUVYJFY-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO Cc1ccc(OC[C@@H](O)C[NH2+]C2CC2)cc1C ZINC000033465457 178813899 /nfs/dbraw/zinc/81/38/99/178813899.db2.gz MYQFYVPPZAKJNU-ZDUSSCGKSA-N 1 0 235.327 1.795 10 0 BDAERO Cc1ccc(OC[C@H]2CC[C@@H](C[NH3+])O2)cc1 ZINC000052649576 178815205 /nfs/dbraw/zinc/81/52/05/178815205.db2.gz GIKHCQHKAHXXTQ-QWHCGFSZSA-N 1 0 221.300 1.880 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(Cl)nc1Cl ZINC000044472537 345090833 /nfs/dbraw/zinc/09/08/33/345090833.db2.gz SHBWPHXRZZXSQE-YFKPBYRVSA-N 1 0 206.076 1.347 10 0 BDAERO [NH3+]Cc1cc(F)cnc1OC(F)(F)F ZINC000238660910 345104333 /nfs/dbraw/zinc/10/43/33/345104333.db2.gz FKIURCIOYWFKJR-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO C[NH+]1CCC(CNc2ccc(N)nc2)CC1 ZINC000044516623 345105149 /nfs/dbraw/zinc/10/51/49/345105149.db2.gz IZGNNKKAZUMRBS-UHFFFAOYSA-N 1 0 220.320 1.418 10 0 BDAERO [NH3+]Cc1cc(OC(F)(F)F)ncc1F ZINC000238675744 345106949 /nfs/dbraw/zinc/10/69/49/345106949.db2.gz AMRIRMBNPDIAHD-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO Cc1ccc(SC[C@H]2CCC[NH2+]2)nn1 ZINC000095069157 178828597 /nfs/dbraw/zinc/82/85/97/178828597.db2.gz GBUGDLPZOHGGKZ-SECBINFHSA-N 1 0 209.318 1.629 10 0 BDAERO [NH3+]Cc1cccc(O)c1OC(F)(F)F ZINC000238684892 345108904 /nfs/dbraw/zinc/10/89/04/345108904.db2.gz ANZVUYSWHGALCZ-UHFFFAOYSA-N 1 0 207.151 1.750 10 0 BDAERO C[C@@H]1C[C@H](CO)[N@H+](Cc2ccccc2)[C@@H]1CO ZINC000307218904 345239940 /nfs/dbraw/zinc/23/99/40/345239940.db2.gz VTWBLRRUWANBFE-MRVWCRGKSA-N 1 0 235.327 1.250 10 0 BDAERO CN(C)Nc1cccc(C(F)(F)F)[nH+]1 ZINC000148178746 345293945 /nfs/dbraw/zinc/29/39/45/345293945.db2.gz PZZDAFHUBFHINJ-UHFFFAOYSA-N 1 0 205.183 1.989 10 0 BDAERO Fc1ccc2c(c1)CCOC21CC[NH2+]CC1 ZINC000139961347 345313179 /nfs/dbraw/zinc/31/31/79/345313179.db2.gz OSNUPEAGLFFYQN-UHFFFAOYSA-N 1 0 221.275 1.977 10 0 BDAERO CC(=O)CCN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158601526 345356837 /nfs/dbraw/zinc/35/68/37/345356837.db2.gz UOJBIQNJCLODOO-CYBMUJFWSA-N 1 0 237.299 1.940 10 0 BDAERO C[C@@H]1[C@H](C)SCCN1C[C@@H]1CCC[NH2+]1 ZINC000132418647 345330207 /nfs/dbraw/zinc/33/02/07/345330207.db2.gz VKYNELDQTNXFGW-VWYCJHECSA-N 1 0 214.378 1.564 10 0 BDAERO COC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000229139241 345439313 /nfs/dbraw/zinc/43/93/13/345439313.db2.gz DSDXCQGWOAKMAM-VHSXEESVSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@H](O)c1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000070199651 345476662 /nfs/dbraw/zinc/47/66/62/345476662.db2.gz XZWYZDHGOWTHNG-VIFPVBQESA-N 1 0 224.279 1.289 10 0 BDAERO C[C@H]1c2ccsc2CCN1C1C[NH2+]C1 ZINC000054931593 345565332 /nfs/dbraw/zinc/56/53/32/345565332.db2.gz XSILCOUYHDMVSG-QMMMGPOBSA-N 1 0 208.330 1.639 10 0 BDAERO CC(C)[C@H](C)CC(=O)NC[C@H](C)C[NH3+] ZINC000236631372 192089571 /nfs/dbraw/zinc/08/95/71/192089571.db2.gz SSMCQJHCOAFOIS-NXEZZACHSA-N 1 0 200.326 1.380 10 0 BDAERO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]1CCCO1 ZINC000000810266 345681438 /nfs/dbraw/zinc/68/14/38/345681438.db2.gz GKTMCVSDINGPBO-XQHKEYJVSA-N 1 0 207.317 1.967 10 0 BDAERO Fc1ccc(C2(N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000215641573 345742302 /nfs/dbraw/zinc/74/23/02/345742302.db2.gz UEQQIFNGEKXDPV-LBPRGKRZSA-N 1 0 220.291 1.766 10 0 BDAERO CC[N@@H+]1CC[C@@](O)(c2ccccc2)[C@@H]1C ZINC000033610676 345806155 /nfs/dbraw/zinc/80/61/55/345806155.db2.gz XKKRLQVFJVVKGT-AAEUAGOBSA-N 1 0 205.301 1.988 10 0 BDAERO c1ccc(COCOC[C@@H]2C[NH2+]CCO2)cc1 ZINC000033898828 345807219 /nfs/dbraw/zinc/80/72/19/345807219.db2.gz DXUYLXVTACFKNY-ZDUSSCGKSA-N 1 0 237.299 1.166 10 0 BDAERO C[C@@H]1CCc2nc([C@@H]3CCC[NH2+]C3)cn2C1 ZINC000258230871 345780577 /nfs/dbraw/zinc/78/05/77/345780577.db2.gz GXITXCLQXGHBAP-GHMZBOCLSA-N 1 0 219.332 1.932 10 0 BDAERO c1cc(N2CCCC2)nc(N2CC[NH2+]CC2)c1 ZINC000034337348 345821604 /nfs/dbraw/zinc/82/16/04/345821604.db2.gz DIWRAZZTEGULJF-UHFFFAOYSA-N 1 0 232.331 1.091 10 0 BDAERO [NH3+]C1CCN(c2nsnc2Cl)CC1 ZINC000258634763 345784997 /nfs/dbraw/zinc/78/49/97/345784997.db2.gz WJAOIFXFTIIVHS-UHFFFAOYSA-N 1 0 218.713 1.119 10 0 BDAERO C[NH+]1CCC(c2c[nH]c3cnc(N)cc32)CC1 ZINC000034591557 345834398 /nfs/dbraw/zinc/83/43/98/345834398.db2.gz FLBIGRMUUJTBQQ-UHFFFAOYSA-N 1 0 230.315 1.954 10 0 BDAERO O=C1Nc2ccc(O)cc2CN1C1CC[NH2+]CC1 ZINC000142876270 345877189 /nfs/dbraw/zinc/87/71/89/345877189.db2.gz RTDKFILTHLYYSB-UHFFFAOYSA-N 1 0 247.298 1.492 10 0 BDAERO CC1(C)OC[C@@H]([C@@H]2CCCCC[NH2+]2)C1=O ZINC000307498985 537923230 /nfs/dbraw/zinc/92/32/30/537923230.db2.gz GZXBNFIUQZFADR-UWVGGRQHSA-N 1 0 211.305 1.513 10 0 BDAERO CCCS(=O)(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000082790476 537921892 /nfs/dbraw/zinc/92/18/92/537921892.db2.gz LMJGMGIRUNCCGU-UWVGGRQHSA-N 1 0 219.350 1.329 10 0 BDAERO Cc1cc([C@@H]([NH3+])CC2OCCO2)cs1 ZINC000235838329 345944947 /nfs/dbraw/zinc/94/49/47/345944947.db2.gz GUZQSSKOHWMIRN-VIFPVBQESA-N 1 0 213.302 1.819 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000082818618 537940193 /nfs/dbraw/zinc/94/01/93/537940193.db2.gz AWIJEMWVCXSJMH-RKDXNWHRSA-N 1 0 205.323 1.080 10 0 BDAERO CC(C)S(=O)(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000082818619 537940306 /nfs/dbraw/zinc/94/03/06/537940306.db2.gz AWIJEMWVCXSJMH-BDAKNGLRSA-N 1 0 205.323 1.080 10 0 BDAERO CCOC(=O)[C@@H](O)C1=CC(C)(C)[NH2+]C(C)(C)C1 ZINC000675054551 537947031 /nfs/dbraw/zinc/94/70/31/537947031.db2.gz VZCKJCFQZXFZEO-JTQLQIEISA-N 1 0 241.331 1.387 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CC2(C1)CC[NH2+]C2 ZINC000675054591 537947083 /nfs/dbraw/zinc/94/70/83/537947083.db2.gz XNBSYEFKPVOHBQ-SNVBAGLBSA-N 1 0 210.321 1.100 10 0 BDAERO C[C@@H]1C[C@H](C)C[C@@]2(CC(=O)O[C@H]2C[NH3+])C1 ZINC000675054581 537947380 /nfs/dbraw/zinc/94/73/80/537947380.db2.gz VZHWLEJDRIPCMN-WYFGTUCQSA-N 1 0 211.305 1.703 10 0 BDAERO O=C1CCCC[C@H]1C[N@@H+]1CCCOCC1 ZINC000061934049 346177109 /nfs/dbraw/zinc/17/71/09/346177109.db2.gz VQUUMWAZYQLKTC-NSHDSACASA-N 1 0 211.305 1.468 10 0 BDAERO C[C@H](Cc1ccsc1)NC1=[NH+]CCN1 ZINC000136382589 346204405 /nfs/dbraw/zinc/20/44/05/346204405.db2.gz PPQHFUYNKFGOFW-MRVPVSSYSA-N 1 0 209.318 1.228 10 0 BDAERO C[C@H]1CCCN(C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000394773438 323108602 /nfs/dbraw/zinc/10/86/02/323108602.db2.gz GPFPMCWNJNTWPS-DTWKUNHWSA-N 1 0 249.305 1.410 10 0 BDAERO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000061987519 346186450 /nfs/dbraw/zinc/18/64/50/346186450.db2.gz OZUFLVOSWWJUEO-NSHDSACASA-N 1 0 211.692 1.863 10 0 BDAERO Clc1cncc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000034061921 346192670 /nfs/dbraw/zinc/19/26/70/346192670.db2.gz SLXDIMMRQGAAEO-ZETCQYMHSA-N 1 0 212.684 1.294 10 0 BDAERO Cn1nnc(Br)c1[C@H]([NH3+])C(C)(C)C ZINC000236129183 346194192 /nfs/dbraw/zinc/19/41/92/346194192.db2.gz LYENSGMYIAREOB-LURJTMIESA-N 1 0 247.140 1.624 10 0 BDAERO Cn1nnc(Br)c1[C@H]1CC[C@H]1C[NH3+] ZINC000236143174 346197317 /nfs/dbraw/zinc/19/73/17/346197317.db2.gz AOANQVWLXWDLPS-WDSKDSINSA-N 1 0 245.124 1.030 10 0 BDAERO Cc1cccc(=O)n1Cc1ccc(C[NH3+])cc1 ZINC000033513239 179003394 /nfs/dbraw/zinc/00/33/94/179003394.db2.gz UAAJAWCGPGFDOD-UHFFFAOYSA-N 1 0 228.295 1.664 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NOCc1ccccc1 ZINC000136474222 346228060 /nfs/dbraw/zinc/22/80/60/346228060.db2.gz ABGWXXNYTKMEJN-LBPRGKRZSA-N 1 0 236.315 1.608 10 0 BDAERO Cc1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1O ZINC000111366421 179009930 /nfs/dbraw/zinc/00/99/30/179009930.db2.gz CJLIHISEGMKMBR-JTQLQIEISA-N 1 0 234.299 1.264 10 0 BDAERO Cc1cccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1O ZINC000310362337 179010716 /nfs/dbraw/zinc/01/07/16/179010716.db2.gz KRHRYAPWYKVNOR-KOLCDFICSA-N 1 0 234.299 1.262 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)c1ccncc1Cl ZINC000669377507 537964836 /nfs/dbraw/zinc/96/48/36/537964836.db2.gz RRYRMKVTPGZNHG-RCOVLWMOSA-N 1 0 200.669 1.363 10 0 BDAERO CCC[C@@H](C[NH3+])C1(O)CCSCC1 ZINC000669377759 537966420 /nfs/dbraw/zinc/96/64/20/537966420.db2.gz GYIIFXHESRWGAM-VIFPVBQESA-N 1 0 203.351 1.620 10 0 BDAERO COC[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000154070140 346317106 /nfs/dbraw/zinc/31/71/06/346317106.db2.gz MVHOQEORNLMFFK-NWDGAFQWSA-N 1 0 242.363 1.068 10 0 BDAERO Cc1cccc(C)c1OCC[C@@H]([NH3+])CO ZINC000071511932 179046114 /nfs/dbraw/zinc/04/61/14/179046114.db2.gz CAGGTBITRMFUCY-LLVKDONJSA-N 1 0 209.289 1.392 10 0 BDAERO Cc1cccc(CCC[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000185155939 179053658 /nfs/dbraw/zinc/05/36/58/179053658.db2.gz YWKUUTSVGYWJRF-HUUCEWRRSA-N 1 0 249.354 1.355 10 0 BDAERO CCC[C@@H](C)C(=O)N1CCC2(C[NH2+]C2)C1 ZINC000675054726 537972233 /nfs/dbraw/zinc/97/22/33/537972233.db2.gz YFXXVOXTXDIASX-SNVBAGLBSA-N 1 0 210.321 1.245 10 0 BDAERO CCOC(=O)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052760853 346372697 /nfs/dbraw/zinc/37/26/97/346372697.db2.gz UFKNJCGUHWWAIJ-LLVKDONJSA-N 1 0 229.320 1.177 10 0 BDAERO C[C@@H]1CC[C@H](n2cc(C[NH3+])nn2)C[C@@H]1C ZINC000082844371 537971477 /nfs/dbraw/zinc/97/14/77/537971477.db2.gz FUHQHVSKCIFJBA-YWVKMMECSA-N 1 0 208.309 1.734 10 0 BDAERO C[C@H](C(=O)N[C@@H]1C[NH2+]CC1(C)C)C(C)(C)C ZINC000669379029 537973479 /nfs/dbraw/zinc/97/34/79/537973479.db2.gz UHOKWQXUNWODKJ-NXEZZACHSA-N 1 0 226.364 1.783 10 0 BDAERO Cc1cccc(CN2CC[C@@H]([NH3+])C2=O)c1 ZINC000049648860 179078243 /nfs/dbraw/zinc/07/82/43/179078243.db2.gz HMORFIUCCOBOJQ-LLVKDONJSA-N 1 0 204.273 1.055 10 0 BDAERO CC(C)(C)NC(=O)N[C@@](C)(CC[NH3+])C(F)F ZINC000669379309 537977597 /nfs/dbraw/zinc/97/75/97/537977597.db2.gz BRBADSKJJOCRQL-JTQLQIEISA-N 1 0 237.294 1.457 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000300215256 346421426 /nfs/dbraw/zinc/42/14/26/346421426.db2.gz UGROSFSYFZFMLJ-VWYCJHECSA-N 1 0 210.321 1.243 10 0 BDAERO CC(C)(C)[NH2+]Cc1nc(CO)cs1 ZINC000669379466 537978777 /nfs/dbraw/zinc/97/87/77/537978777.db2.gz CQWFNCTWWZYSKX-UHFFFAOYSA-N 1 0 200.307 1.524 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)CC(C)C)C1 ZINC000252649795 537980672 /nfs/dbraw/zinc/98/06/72/537980672.db2.gz XPLRNHLRMCZMFX-CHWSQXEVSA-N 1 0 228.380 1.731 10 0 BDAERO CCC(F)(F)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000641798946 362747321 /nfs/dbraw/zinc/74/73/21/362747321.db2.gz RDTFOUKGDXPLBE-GUBZILKMSA-N 1 0 218.291 1.701 10 0 BDAERO Cc1cccc(C[C@@H](O)C[NH2+]C(C)C)c1 ZINC000071510620 179104826 /nfs/dbraw/zinc/10/48/26/179104826.db2.gz IOSUSIYJWCXMLS-CYBMUJFWSA-N 1 0 207.317 1.896 10 0 BDAERO Cc1cccc(N)c1C(=O)NCCC[NH+](C)C ZINC000022164876 179119317 /nfs/dbraw/zinc/11/93/17/179119317.db2.gz ZEULMGIFGYJHLM-UHFFFAOYSA-N 1 0 235.331 1.259 10 0 BDAERO CCC[S@](=O)[C@@H]1CCC(C)(C)[C@H]1[NH3+] ZINC000250034511 362766957 /nfs/dbraw/zinc/76/69/57/362766957.db2.gz PLEOZZNKLZSANM-ZDMBXUJBSA-N 1 0 203.351 1.661 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(SC)CC1 ZINC000300805526 346537944 /nfs/dbraw/zinc/53/79/44/346537944.db2.gz GHELUWYPSRKJBN-MWLCHTKSSA-N 1 0 244.404 1.714 10 0 BDAERO Cc1cccc(N2C[C@H](C[NH3+])CC2=O)c1 ZINC000019669460 179123799 /nfs/dbraw/zinc/12/37/99/179123799.db2.gz YKNXXKDZEXMWCE-JTQLQIEISA-N 1 0 204.273 1.307 10 0 BDAERO C[C@H]([NH3+])C[C@H](O)c1ccc(F)cc1F ZINC000164167257 346594204 /nfs/dbraw/zinc/59/42/04/346594204.db2.gz MBUXOMSGPPYECY-WKEGUHRASA-N 1 0 201.216 1.736 10 0 BDAERO C[C@@H]([NH3+])[C@H](N1CCCCO1)C(C)(C)C ZINC000164194945 346595902 /nfs/dbraw/zinc/59/59/02/346595902.db2.gz UNQGKCUSDHGBDH-ZJUUUORDSA-N 1 0 200.326 1.776 10 0 BDAERO c1cc(-c2cn(C3C[NH2+]C3)nn2)cs1 ZINC000164565345 346610149 /nfs/dbraw/zinc/61/01/49/346610149.db2.gz OEBZRCPLLVATKR-UHFFFAOYSA-N 1 0 206.274 1.151 10 0 BDAERO [NH3+]C[C@H]1CCCN(c2nc(Cl)cs2)C1 ZINC000165290393 346646650 /nfs/dbraw/zinc/64/66/50/346646650.db2.gz FHDYOUZWQSLDDP-SSDOTTSWSA-N 1 0 231.752 1.972 10 0 BDAERO Cc1cccc(NC(=O)COC[C@H]2CC[NH2+]C2)c1 ZINC000051888341 179129287 /nfs/dbraw/zinc/12/92/87/179129287.db2.gz BCRYTUZXQMMXII-LBPRGKRZSA-N 1 0 248.326 1.560 10 0 BDAERO COC(=O)[C@@](C)(N)c1cc(C)cc(C)c1 ZINC000166156000 346666876 /nfs/dbraw/zinc/66/68/76/346666876.db2.gz AJOPEEXCTAQPNO-LBPRGKRZSA-N 1 0 207.273 1.650 10 0 BDAERO Cn1nccc1[C@@H]([NH3+])Cc1cncs1 ZINC000164953291 346634271 /nfs/dbraw/zinc/63/42/71/346634271.db2.gz DTWSCQDHZQHYHW-QMMMGPOBSA-N 1 0 208.290 1.119 10 0 BDAERO C[C@]1(c2nnc(CC[NH3+])o2)CCCS1 ZINC000164951943 346634324 /nfs/dbraw/zinc/63/43/24/346634324.db2.gz CXBWBSKNEYUNMB-SECBINFHSA-N 1 0 213.306 1.313 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000589644393 346724847 /nfs/dbraw/zinc/72/48/47/346724847.db2.gz JKWSLPPHQMOUAD-MNOVXSKESA-N 1 0 245.326 1.956 10 0 BDAERO Cc1cccc(NCCCC(=O)NC2CC2)[nH+]1 ZINC000092996660 179143743 /nfs/dbraw/zinc/14/37/43/179143743.db2.gz SCLWDHANSMHKNY-UHFFFAOYSA-N 1 0 233.315 1.861 10 0 BDAERO Cc1cccc(NCC2=[NH+]CCN2)c1C ZINC000005161155 179144172 /nfs/dbraw/zinc/14/41/72/179144172.db2.gz WLUCWSITOBZYRR-UHFFFAOYSA-N 1 0 203.289 1.717 10 0 BDAERO Cc1cccc(NC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000037670760 179146141 /nfs/dbraw/zinc/14/61/41/179146141.db2.gz JIKRFHRAYCIAJC-NSHDSACASA-N 1 0 205.305 1.754 10 0 BDAERO C[C@H]1CCC[N@H+](CC23CC(CO)(C2)CO3)C1 ZINC000669380177 537985995 /nfs/dbraw/zinc/98/59/95/537985995.db2.gz SZGIJRZAMGXUFG-HIFPTAJRSA-N 1 0 225.332 1.260 10 0 BDAERO c1csc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000169106430 346753173 /nfs/dbraw/zinc/75/31/73/346753173.db2.gz REMFRRZIAJQSOX-BDAKNGLRSA-N 1 0 209.318 1.474 10 0 BDAERO Cc1cccc(OCC(=O)NCCC[NH3+])c1C ZINC000019787390 179163428 /nfs/dbraw/zinc/16/34/28/179163428.db2.gz YLVNAEZAUVVCTI-UHFFFAOYSA-N 1 0 236.315 1.147 10 0 BDAERO COc1ccccc1C[NH2+][C@@H]1C[C@H]1CO ZINC000378675151 346802299 /nfs/dbraw/zinc/80/22/99/346802299.db2.gz ODMNQXFCGQZGRH-WDEREUQCSA-N 1 0 207.273 1.166 10 0 BDAERO Cc1cccc(OCC[C@H](O)C[NH3+])c1C ZINC000019668550 179170074 /nfs/dbraw/zinc/17/00/74/179170074.db2.gz DYIHHBSIYLWVIW-NSHDSACASA-N 1 0 209.289 1.392 10 0 BDAERO Cc1cccc(OC[C@@H]2C[NH2+]CCO2)c1C ZINC000011587401 179171503 /nfs/dbraw/zinc/17/15/03/179171503.db2.gz JZSIVWQQJGNSAR-LBPRGKRZSA-N 1 0 221.300 1.671 10 0 BDAERO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)CF)c1 ZINC000040847657 179172136 /nfs/dbraw/zinc/17/21/36/179172136.db2.gz DIYDLIFSZIZBCW-VXGBXAGGSA-N 1 0 241.306 1.682 10 0 BDAERO Cc1cccc(OC[C@](C)(O)C[NH3+])c1C ZINC000019668031 179172592 /nfs/dbraw/zinc/17/25/92/179172592.db2.gz DHSGGDXLSWSOOG-GFCCVEGCSA-N 1 0 209.289 1.392 10 0 BDAERO C[C@H](CCC[NH3+])NC(=O)CC(F)(F)F ZINC000087361996 365873721 /nfs/dbraw/zinc/87/37/21/365873721.db2.gz JUFAMZYIDMQFIK-ZCFIWIBFSA-N 1 0 212.215 1.182 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000382116532 347192706 /nfs/dbraw/zinc/19/27/06/347192706.db2.gz MGYHYMFDAFVZMM-UTUOFQBUSA-N 1 0 229.320 1.297 10 0 BDAERO Cc1cccc([C@@H]([NH3+])c2cnn(C)c2)c1 ZINC000026516997 179186846 /nfs/dbraw/zinc/18/68/46/179186846.db2.gz CHPYGEHXBFXZHB-GFCCVEGCSA-N 1 0 201.273 1.777 10 0 BDAERO CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000310035659 347221417 /nfs/dbraw/zinc/22/14/17/347221417.db2.gz UBCMFWBBLJRHCP-GHMZBOCLSA-N 1 0 247.404 1.835 10 0 BDAERO Cc1cccc([C@@H]2C[NH2+]C[C@@H](C(N)=O)C2)c1 ZINC000082162775 179190551 /nfs/dbraw/zinc/19/05/51/179190551.db2.gz FCJHMTOYZOCSHP-RYUDHWBXSA-N 1 0 218.300 1.173 10 0 BDAERO Cc1cccc([C@@](C)(O)C[NH2+]C2CC2)c1 ZINC000055033228 179191686 /nfs/dbraw/zinc/19/16/86/179191686.db2.gz QJQXZFRREAZERY-ZDUSSCGKSA-N 1 0 205.301 1.955 10 0 BDAERO COc1cccnc1NCCC1(C[NH3+])CC1 ZINC000395905743 362801603 /nfs/dbraw/zinc/80/16/03/362801603.db2.gz LFEIANLZTCXSJS-UHFFFAOYSA-N 1 0 221.304 1.631 10 0 BDAERO c1cc2c(s1)CC[NH2+][C@@]21C[C@@H]2COC[C@H]21 ZINC000725242893 537989012 /nfs/dbraw/zinc/98/90/12/537989012.db2.gz SRHFOJQKGJYICU-UISBYWKRSA-N 1 0 221.325 1.755 10 0 BDAERO Cc1cnccc1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396601310 362825476 /nfs/dbraw/zinc/82/54/76/362825476.db2.gz XKDPUVYVURKYHG-WCQYABFASA-N 1 0 219.332 1.620 10 0 BDAERO C[C@@H](Nc1nccc2occc21)[C@H](C)[NH3+] ZINC000336521399 136749544 /nfs/dbraw/zinc/74/95/44/136749544.db2.gz PXENNNFSNJGAGT-JGVFFNPUSA-N 1 0 205.261 1.975 10 0 BDAERO N#Cc1ccc2c(c1)CC[C@@H](N1CC[NH2+]CC1)C2 ZINC000144500573 347386281 /nfs/dbraw/zinc/38/62/81/347386281.db2.gz RJOUZCZUQPOORI-OAHLLOKOSA-N 1 0 241.338 1.321 10 0 BDAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)C(N)=S ZINC000036677604 347435367 /nfs/dbraw/zinc/43/53/67/347435367.db2.gz COEKPUAQOCNJSE-RKDXNWHRSA-N 1 0 200.351 1.641 10 0 BDAERO CO[C@@]1(C(=O)OC(C)(C)C)CCC[NH2+]C1 ZINC000616568207 347444588 /nfs/dbraw/zinc/44/45/88/347444588.db2.gz GHWNCMGEIAZFDD-NSHDSACASA-N 1 0 215.293 1.097 10 0 BDAERO Cc1ccccc1C(=O)CN1CC[NH2+]CC1 ZINC000050145267 179246304 /nfs/dbraw/zinc/24/63/04/179246304.db2.gz JQLWXYLKPIBLHF-UHFFFAOYSA-N 1 0 218.300 1.083 10 0 BDAERO Cc1ccccc1-c1ncc(C[NH3+])c(=O)[nH]1 ZINC000082642802 179239142 /nfs/dbraw/zinc/23/91/42/179239142.db2.gz ZNYDMXDAMUUZLM-UHFFFAOYSA-N 1 0 215.256 1.204 10 0 BDAERO CC[C@H]([NH3+])[C@@H](O)c1cccc(OC)c1OC ZINC000036779403 347576609 /nfs/dbraw/zinc/57/66/09/347576609.db2.gz UOZOTRXQQHBYMP-ONGXEEELSA-N 1 0 225.288 1.475 10 0 BDAERO Cc1ccccc1CCC(=O)N[C@@H]1C[C@H]1[NH3+] ZINC000051986035 179261766 /nfs/dbraw/zinc/26/17/66/179261766.db2.gz BKFVCVVSCPXHQO-VXGBXAGGSA-N 1 0 218.300 1.143 10 0 BDAERO CCC[C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1CC ZINC000616569229 347592292 /nfs/dbraw/zinc/59/22/92/347592292.db2.gz GZNMLXUYCCHBMR-SRVKXCTJSA-N 1 0 226.364 1.927 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000616569613 347806824 /nfs/dbraw/zinc/80/68/24/347806824.db2.gz BCYSEBSVLRACGU-QJPTWQEYSA-N 1 0 224.348 1.631 10 0 BDAERO Cc1ccccc1C[C@]1(O)CCC[NH2+]C1 ZINC000071509469 179292133 /nfs/dbraw/zinc/29/21/33/179292133.db2.gz PSGQYEMMGOGMBC-CYBMUJFWSA-N 1 0 205.301 1.652 10 0 BDAERO Cc1ccccc1C[C@H]1COCC[C@@H]1[NH3+] ZINC000082379475 179292185 /nfs/dbraw/zinc/29/21/85/179292185.db2.gz PWIJBOWJQASTBJ-STQMWFEESA-N 1 0 205.301 1.901 10 0 BDAERO O=C(C1CCCC1)N1CC2(C1)CC[NH2+]CC2 ZINC000616569894 347878430 /nfs/dbraw/zinc/87/84/30/347878430.db2.gz CUXZMUQACBHUMF-UHFFFAOYSA-N 1 0 222.332 1.389 10 0 BDAERO Cc1ccccc1O[C@H]1COCC[C@H]1[NH3+] ZINC000036305813 179313818 /nfs/dbraw/zinc/31/38/18/179313818.db2.gz UCESSLPKYJWJSW-PWSUYJOCSA-N 1 0 207.273 1.490 10 0 BDAERO Cc1ccccc1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000083296116 179315054 /nfs/dbraw/zinc/31/50/54/179315054.db2.gz FUYYZRALHMKZMJ-LLVKDONJSA-N 1 0 239.340 1.521 10 0 BDAERO CN(C)[C@@H]1CCC[N@H+](CC[C@H]2CCC2=O)C1 ZINC000669381577 537994493 /nfs/dbraw/zinc/99/44/93/537994493.db2.gz OLAFKFORSATRBC-VXGBXAGGSA-N 1 0 224.348 1.382 10 0 BDAERO CC[C@@H](C)n1nnnc1C1CC[NH2+]CC1 ZINC000616570193 347914303 /nfs/dbraw/zinc/91/43/03/347914303.db2.gz DIFAYECANNDKGT-MRVPVSSYSA-N 1 0 209.297 1.111 10 0 BDAERO CC[C@H](C)n1nnnc1C1CC[NH2+]CC1 ZINC000616570204 347914986 /nfs/dbraw/zinc/91/49/86/347914986.db2.gz DIFAYECANNDKGT-QMMMGPOBSA-N 1 0 209.297 1.111 10 0 BDAERO CC(C)N1CC[NH+](CC[C@H]2CCC2=O)CC1 ZINC000669381628 537994610 /nfs/dbraw/zinc/99/46/10/537994610.db2.gz PTOCGNHMXSJSKO-GFCCVEGCSA-N 1 0 224.348 1.382 10 0 BDAERO Cc1ccccc1[C@@H](O)CC[N@@H+]1CC[C@H](O)C1 ZINC000061712173 179326282 /nfs/dbraw/zinc/32/62/82/179326282.db2.gz JUGIXCCOFXDJQY-JSGCOSHPSA-N 1 0 235.327 1.485 10 0 BDAERO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037163672 348027817 /nfs/dbraw/zinc/02/78/17/348027817.db2.gz DJFIWUAMQIZICV-RYUDHWBXSA-N 1 0 237.347 1.430 10 0 BDAERO Cc1ccccc1[C@H](C)N1CC[C@@H]([NH3+])C1=O ZINC000049659992 179336203 /nfs/dbraw/zinc/33/62/03/179336203.db2.gz BWGLNVQYZURFOO-CMPLNLGQSA-N 1 0 218.300 1.616 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+]C(C)(C)C(N)=O ZINC000040674179 179337376 /nfs/dbraw/zinc/33/73/76/179337376.db2.gz QYTATUBGTTWIBD-JTQLQIEISA-N 1 0 220.316 1.910 10 0 BDAERO Cc1ccccc1[C@H](C)[NH2+]CCn1cncn1 ZINC000268813260 179337718 /nfs/dbraw/zinc/33/77/18/179337718.db2.gz JQPKRGBBKBOSFV-LBPRGKRZSA-N 1 0 230.315 1.937 10 0 BDAERO Cc1ccccc1[C@H]([NH3+])CCN1CCC(O)CC1 ZINC000054015301 179343037 /nfs/dbraw/zinc/34/30/37/179343037.db2.gz GWWOPHJWOLTYGU-OAHLLOKOSA-N 1 0 248.370 1.842 10 0 BDAERO Cc1cccnc1-c1ncc(C[C@H](C)[NH3+])cn1 ZINC000054857564 179356578 /nfs/dbraw/zinc/35/65/78/179356578.db2.gz PATLQCWDAGWXPU-JTQLQIEISA-N 1 0 228.299 1.737 10 0 BDAERO Cc1ccccc1[C@](C)([NH2+]C1CC1)C(N)=O ZINC000037459577 179350752 /nfs/dbraw/zinc/35/07/52/179350752.db2.gz YMRZPZUTENGJJZ-ZDUSSCGKSA-N 1 0 218.300 1.448 10 0 BDAERO Cc1cccn(CC[NH2+]C(C2CC2)C2CC2)c1=O ZINC000062986535 179351841 /nfs/dbraw/zinc/35/18/41/179351841.db2.gz UNFBPESFIGKZBA-UHFFFAOYSA-N 1 0 246.354 1.935 10 0 BDAERO O=C(N[C@@]12CC[C@@H]1C[NH2+]C2)C1CCCCC1 ZINC000616571180 348173442 /nfs/dbraw/zinc/17/34/42/348173442.db2.gz FEDDKUGBJAFHCS-DGCLKSJQSA-N 1 0 222.332 1.435 10 0 BDAERO COCC(=O)N1CCC2(CCCC[C@@H]2[NH3+])CC1 ZINC000616571275 348189814 /nfs/dbraw/zinc/18/98/14/348189814.db2.gz KGCISXWRUYMBAO-NSHDSACASA-N 1 0 240.347 1.143 10 0 BDAERO CSCc1noc([C@]2(C)CC[NH2+]C2)n1 ZINC000062919606 348208707 /nfs/dbraw/zinc/20/87/07/348208707.db2.gz ZGBDSAXOWFJLGR-SECBINFHSA-N 1 0 213.306 1.184 10 0 BDAERO CCC(=O)N[C@@H]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000669382458 538000875 /nfs/dbraw/zinc/00/08/75/538000875.db2.gz LINNEBWFZYKQEA-HBNTYKKESA-N 1 0 210.321 1.291 10 0 BDAERO Cc1cccnc1NC(=O)C1(C[NH3+])CC1 ZINC000082639834 179389272 /nfs/dbraw/zinc/38/92/72/179389272.db2.gz KWMFLHLFCCMSFN-UHFFFAOYSA-N 1 0 205.261 1.067 10 0 BDAERO COC(=O)[C@]1(C(C)C)O[C@@]1(C)CC[NH+](C)C ZINC000669382249 538001103 /nfs/dbraw/zinc/00/11/03/538001103.db2.gz BZGRBRURAZDGAN-RYUDHWBXSA-N 1 0 229.320 1.295 10 0 BDAERO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037321412 348319824 /nfs/dbraw/zinc/31/98/24/348319824.db2.gz IFFDJOXKDQNAID-OLZOCXBDSA-N 1 0 248.326 1.179 10 0 BDAERO Cc1ccn(-c2ccc(F)cc2C[NH3+])n1 ZINC000052884763 179399721 /nfs/dbraw/zinc/39/97/21/179399721.db2.gz IIUDQFLSZPQYMS-UHFFFAOYSA-N 1 0 205.236 1.779 10 0 BDAERO C[NH+](C)C1CCN([C@@H]2CCCC2=O)CC1 ZINC000037339758 348329469 /nfs/dbraw/zinc/32/94/69/348329469.db2.gz NKAAPWUPPWLQSM-LLVKDONJSA-N 1 0 210.321 1.134 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1[S@](=O)C1CCCC1 ZINC000251534733 362884494 /nfs/dbraw/zinc/88/44/94/362884494.db2.gz XURMYIAIDBSGQK-UHIISALHSA-N 1 0 215.362 1.948 10 0 BDAERO CC[C@H]1CCC[N@@H+]([C@H](C)C(N)=S)C1 ZINC000251575625 362887001 /nfs/dbraw/zinc/88/70/01/362887001.db2.gz CBPMCPKJXJHPKF-BDAKNGLRSA-N 1 0 200.351 1.783 10 0 BDAERO Cc1cccnc1OC[C@H]1CCC[NH2+]C1 ZINC000051883200 179396122 /nfs/dbraw/zinc/39/61/22/179396122.db2.gz XMBMQYFOKWLJJK-NSHDSACASA-N 1 0 206.289 1.768 10 0 BDAERO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000088142247 362907870 /nfs/dbraw/zinc/90/78/70/362907870.db2.gz HSFBQTHPXFDKCA-AXFHLTTASA-N 1 0 228.336 1.188 10 0 BDAERO NC1=[NH+]CCOc2cc(Br)ccc21 ZINC000204684594 348387294 /nfs/dbraw/zinc/38/72/94/348387294.db2.gz HEFBSANBSMBSSP-UHFFFAOYSA-N 1 0 241.088 1.547 10 0 BDAERO CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1C(=O)C(F)(F)F ZINC000251809374 362925943 /nfs/dbraw/zinc/92/59/43/362925943.db2.gz YTRMMXGTJCJKKZ-XLPZGREQSA-N 1 0 236.237 1.005 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C1CSC1 ZINC000401281436 349988014 /nfs/dbraw/zinc/98/80/14/349988014.db2.gz GGYRUWVWZAPCRO-HRDYMLBCSA-N 1 0 200.351 1.173 10 0 BDAERO Cc1ccnc([S@](=O)C[C@H]2CCCC[NH2+]2)n1 ZINC000095069283 179469866 /nfs/dbraw/zinc/46/98/66/179469866.db2.gz QUACHNMJSSWJJO-HWPZZCPQSA-N 1 0 239.344 1.035 10 0 BDAERO CCOCC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000082725503 348550084 /nfs/dbraw/zinc/55/00/84/348550084.db2.gz IGVGESCRRQIJHV-STQMWFEESA-N 1 0 226.364 1.582 10 0 BDAERO Cc1ccsc1[C@@H]([C@H](C)[NH3+])n1cncn1 ZINC000043249094 179553118 /nfs/dbraw/zinc/55/31/18/179553118.db2.gz MQVJMQRUIBFITR-DTWKUNHWSA-N 1 0 222.317 1.585 10 0 BDAERO [NH3+]C[C@H]1CCCN1c1ncnc2ccccc21 ZINC000053663428 348650040 /nfs/dbraw/zinc/65/00/40/348650040.db2.gz KNKUFZMEMJFOMD-SNVBAGLBSA-N 1 0 228.299 1.557 10 0 BDAERO [NH3+][C@@H]1C[C@]12CNc1cc3c(cc12)OCCCO3 ZINC000725246963 538009149 /nfs/dbraw/zinc/00/91/49/538009149.db2.gz BSGVDPATPLJDBH-CHWSQXEVSA-N 1 0 232.283 1.242 10 0 BDAERO CSc1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC000037483404 348621272 /nfs/dbraw/zinc/62/12/72/348621272.db2.gz MOFORYXNUAMWNB-VIFPVBQESA-N 1 0 208.330 1.946 10 0 BDAERO CC(C)C(=O)N1CC[C@@H]2[C@H]([NH3+])CCC[C@@H]2C1 ZINC000669383367 538010237 /nfs/dbraw/zinc/01/02/37/538010237.db2.gz UIHBJSBVTDDONL-GRYCIOLGSA-N 1 0 224.348 1.618 10 0 BDAERO CN(CC[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000308805944 348695739 /nfs/dbraw/zinc/69/57/39/348695739.db2.gz ONJPXANQXBGGJM-LLVKDONJSA-N 1 0 214.353 1.077 10 0 BDAERO [NH3+][C@@H]1C[C@]12CNc1c2cccc1Br ZINC000725247797 538013319 /nfs/dbraw/zinc/01/33/19/538013319.db2.gz YRXFCNXEVBUZDD-PSASIEDQSA-N 1 0 239.116 1.843 10 0 BDAERO [NH3+][C@H]1C[C@@]12CNc1c2cccc1Br ZINC000725247800 538012743 /nfs/dbraw/zinc/01/27/43/538012743.db2.gz YRXFCNXEVBUZDD-WPRPVWTQSA-N 1 0 239.116 1.843 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2CCO[C@H]2C)S1 ZINC000251832036 362932829 /nfs/dbraw/zinc/93/28/29/362932829.db2.gz PPWMQRACXXKCED-GJMOJQLCSA-N 1 0 200.307 1.245 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000054076922 348880262 /nfs/dbraw/zinc/88/02/62/348880262.db2.gz YPXXEVNLLDQEKD-DGCLKSJQSA-N 1 0 232.327 1.610 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)c(OC)c1C ZINC000054072795 348888567 /nfs/dbraw/zinc/88/85/67/348888567.db2.gz BMOXOVSJLARXGU-SNVBAGLBSA-N 1 0 236.315 1.858 10 0 BDAERO Cc1ccc([C@@H]2CC[NH2+]C[C@@H]2N)cc1F ZINC000669384692 538017370 /nfs/dbraw/zinc/01/73/70/538017370.db2.gz BLCNFDTWVJJUIV-JQWIXIFHSA-N 1 0 208.280 1.538 10 0 BDAERO Cc1cnn(C)c1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000286750445 179721261 /nfs/dbraw/zinc/72/12/61/179721261.db2.gz YRHPMOIYYHNWSR-LLVKDONJSA-N 1 0 225.336 1.225 10 0 BDAERO CCCN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000054305952 348979003 /nfs/dbraw/zinc/97/90/03/348979003.db2.gz KWEUBMOYGPKRFX-NSHDSACASA-N 1 0 224.348 1.777 10 0 BDAERO O=C(N[C@H]1C[NH2+]CC[C@H]1C(F)(F)F)C1CC1 ZINC000616573470 349070770 /nfs/dbraw/zinc/07/07/70/349070770.db2.gz YOVSYYGDDQPJHF-SFYZADRCSA-N 1 0 236.237 1.053 10 0 BDAERO COC(=O)[C@]1(c2cccc(F)c2F)CC[NH2+]C1 ZINC000616574871 349081964 /nfs/dbraw/zinc/08/19/64/349081964.db2.gz ZJMFKHUYISDPRC-GFCCVEGCSA-N 1 0 241.237 1.369 10 0 BDAERO CCN1CCO[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000219538340 490223382 /nfs/dbraw/zinc/22/33/82/490223382.db2.gz XOJOFQFACWKUOL-ZIAGYGMSSA-N 1 0 238.375 1.653 10 0 BDAERO C[C@@H]1CCCN(c2ncnc3[nH]ccc32)[C@@H]1C[NH3+] ZINC000420179446 192170921 /nfs/dbraw/zinc/17/09/21/192170921.db2.gz CBGWIORRMRUOSC-MWLCHTKSSA-N 1 0 245.330 1.522 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000055421655 349093933 /nfs/dbraw/zinc/09/39/33/349093933.db2.gz XSFZTTRYGXOPJU-ZWNOBZJWSA-N 1 0 232.327 1.788 10 0 BDAERO Cc1cc(CCC(N)=O)cc([C@@H]2CCC[NH2+]2)n1 ZINC000616575768 349094519 /nfs/dbraw/zinc/09/45/19/349094519.db2.gz MEOPFWNHXKNINR-NSHDSACASA-N 1 0 233.315 1.232 10 0 BDAERO CC(C)(CNC(=O)C1CCC1)C1CC[NH2+]CC1 ZINC000616571832 349061248 /nfs/dbraw/zinc/06/12/48/349061248.db2.gz NTXATOMMHYCTDR-UHFFFAOYSA-N 1 0 238.375 1.929 10 0 BDAERO [NH3+]Cc1ncccc1NC(=O)CC1CC1 ZINC000616572395 349065887 /nfs/dbraw/zinc/06/58/87/349065887.db2.gz MAHYQHMFMGWXSJ-UHFFFAOYSA-N 1 0 205.261 1.279 10 0 BDAERO CC[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000616577667 349117345 /nfs/dbraw/zinc/11/73/45/349117345.db2.gz KBZAJSAHHYDXSW-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO COC(=O)CCCC[N@@H+]1C[C@H](C)[C@H](N(C)C)C1 ZINC000599338200 349151092 /nfs/dbraw/zinc/15/10/92/349151092.db2.gz QMBBPLCGXJWOLM-NWDGAFQWSA-N 1 0 242.363 1.212 10 0 BDAERO CC1(C)C[C@@H]([NH3+])c2ccccc2S1(=O)=O ZINC000616578485 349124298 /nfs/dbraw/zinc/12/42/98/349124298.db2.gz OMOMPXHVQLMQQT-SECBINFHSA-N 1 0 225.313 1.642 10 0 BDAERO CC(=O)[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941276 349124393 /nfs/dbraw/zinc/12/43/93/349124393.db2.gz FLPVHCOWLFFYDQ-ZYHUDNBSSA-N 1 0 210.321 1.134 10 0 BDAERO COC(=O)CCCC[N@@H+]1CCC[C@H]1CCCO ZINC000599281646 349140320 /nfs/dbraw/zinc/14/03/20/349140320.db2.gz LJPQXTVTYWULKD-LBPRGKRZSA-N 1 0 243.347 1.567 10 0 BDAERO Cc1csc(N2CCC(C[NH3+])CC2)n1 ZINC000044514841 179783543 /nfs/dbraw/zinc/78/35/43/179783543.db2.gz NCPURWCGHYDOLM-UHFFFAOYSA-N 1 0 211.334 1.627 10 0 BDAERO CCN1CCC[C@@H]1C[N@H+](C)C[C@H](C)COC ZINC000249458948 349159327 /nfs/dbraw/zinc/15/93/27/349159327.db2.gz DYTRWTMEUSIULL-QWHCGFSZSA-N 1 0 228.380 1.685 10 0 BDAERO OC1(CCc2ccc(F)cc2)CC[NH2+]CC1 ZINC000060164904 349273988 /nfs/dbraw/zinc/27/39/88/349273988.db2.gz PUVZZHVSDBFYKW-UHFFFAOYSA-N 1 0 223.291 1.873 10 0 BDAERO Cn1c2c(nc1C(F)(F)F)CCC[C@@H]2[NH3+] ZINC000725253811 538039095 /nfs/dbraw/zinc/03/90/95/538039095.db2.gz ZFYHUWUKKFCXNG-YFKPBYRVSA-N 1 0 219.210 1.775 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160723693 349313334 /nfs/dbraw/zinc/31/33/34/349313334.db2.gz DBFVJXTXONINMO-KGLIPLIRSA-N 1 0 240.391 1.611 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1cnn(C(C)C)c1 ZINC000061683568 349388795 /nfs/dbraw/zinc/38/87/95/349388795.db2.gz RDDIMAATOMQSGH-SNVBAGLBSA-N 1 0 224.308 1.530 10 0 BDAERO CCCC1CCC(N2CC[C@@H]([NH3+])C2=O)CC1 ZINC000049660224 168604586 /nfs/dbraw/zinc/60/45/86/168604586.db2.gz NSFWNAYPWJQTBX-HTAVTVPLSA-N 1 0 224.348 1.905 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccnn1[C@H](C)CC ZINC000725253697 538039863 /nfs/dbraw/zinc/03/98/63/538039863.db2.gz VXOMTQUZTUVRDM-MWLCHTKSSA-N 1 0 211.309 1.497 10 0 BDAERO C[C@H](Nc1ncnc2c1CCC2)[C@@H]1CCC[NH2+]C1 ZINC000061277695 349373705 /nfs/dbraw/zinc/37/37/05/349373705.db2.gz CZNBAGBHWIRKCQ-WDEREUQCSA-N 1 0 246.358 1.765 10 0 BDAERO Cc1nc(C2(C[NH3+])CCCCC2)n(C)n1 ZINC000082946413 538040456 /nfs/dbraw/zinc/04/04/56/538040456.db2.gz UYIIKZPHQFVOOQ-UHFFFAOYSA-N 1 0 208.309 1.284 10 0 BDAERO Cc1nc(C)n([C@@H]([C@@H](C)[NH3+])C(C)(C)C)n1 ZINC000043295069 179922319 /nfs/dbraw/zinc/92/23/19/179922319.db2.gz WSDOTJXOISUAPI-XCBNKYQSSA-N 1 0 210.325 1.829 10 0 BDAERO Cc1nc(C)n([C@@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000042915995 179923378 /nfs/dbraw/zinc/92/33/78/179923378.db2.gz LCSVCEJOCGWSEG-LBPRGKRZSA-N 1 0 234.278 1.582 10 0 BDAERO COC[C@@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090224002 191001199 /nfs/dbraw/zinc/00/11/99/191001199.db2.gz HASAHGFMCSWFDI-PSASIEDQSA-N 1 0 224.308 1.046 10 0 BDAERO C[C@H]1CCCCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619487 350030191 /nfs/dbraw/zinc/03/01/91/350030191.db2.gz AOTKRHHUEHPPOD-WCQYABFASA-N 1 0 224.348 1.920 10 0 BDAERO CN(CC[NH2+]CC(C)(C)O)C1CCCC1 ZINC000070945424 350075495 /nfs/dbraw/zinc/07/54/95/350075495.db2.gz SXTPXVQHPNPZBH-UHFFFAOYSA-N 1 0 214.353 1.221 10 0 BDAERO CCOc1cc(C)nc(N2CC[NH2+]CC2)c1 ZINC000217865730 350075598 /nfs/dbraw/zinc/07/55/98/350075598.db2.gz FSNPNWIURAHVMX-UHFFFAOYSA-N 1 0 221.304 1.198 10 0 BDAERO OCC[N@@H+]1CC[C@H](c2ccc3nnccc3c2)C1 ZINC000616613760 350066008 /nfs/dbraw/zinc/06/60/08/350066008.db2.gz PPZFTRDURSPPGT-ZDUSSCGKSA-N 1 0 243.310 1.411 10 0 BDAERO C[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000070834454 350067945 /nfs/dbraw/zinc/06/79/45/350067945.db2.gz QFIYMSZKYXBEPD-GRYCIOLGSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)(C)[S@](=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218752557 350102699 /nfs/dbraw/zinc/10/26/99/350102699.db2.gz NYTFHJLDEDXFFP-VYUIOLGVSA-N 1 0 203.351 1.804 10 0 BDAERO Cc1nc(N)sc1S[C@H](C)C[NH3+] ZINC000082639415 180001515 /nfs/dbraw/zinc/00/15/15/180001515.db2.gz AHKNVXWBYQNMPU-SCSAIBSYSA-N 1 0 203.336 1.473 10 0 BDAERO C[C@H](Cc1ccccc1)N1CC[C@@H]([NH3+])C1 ZINC000218353985 350089982 /nfs/dbraw/zinc/08/99/82/350089982.db2.gz VYCJCYWDYQWLCA-DGCLKSJQSA-N 1 0 204.317 1.651 10 0 BDAERO CC(C)Oc1cncc(N2CC[NH2+][C@@H](C)C2)n1 ZINC000071175911 350090365 /nfs/dbraw/zinc/09/03/65/350090365.db2.gz FHVYYNHUNVEIIB-JTQLQIEISA-N 1 0 236.319 1.062 10 0 BDAERO Cc1nc([C@@H]([NH3+])[C@H]2CCOC2)sc1C ZINC000041059996 180039609 /nfs/dbraw/zinc/03/96/09/180039609.db2.gz PLGKTKDZZUXBOJ-IUCAKERBSA-N 1 0 212.318 1.796 10 0 BDAERO Cc1nc([C@H]([NH2+]CCO)C2CC2)sc1C ZINC000045205777 180055506 /nfs/dbraw/zinc/05/55/06/180055506.db2.gz SGSNRLXPPADZFL-SNVBAGLBSA-N 1 0 226.345 1.793 10 0 BDAERO Cc1nc2c(c(C(F)(F)F)n1)C[C@@H]([NH3+])CC2 ZINC000020445759 180068677 /nfs/dbraw/zinc/06/86/77/180068677.db2.gz JFLSMACIXPDXIW-LURJTMIESA-N 1 0 231.221 1.620 10 0 BDAERO CCC(CC)[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000304258581 350151436 /nfs/dbraw/zinc/15/14/36/350151436.db2.gz SQAZMTYAUMHGOF-NEPJUHHUSA-N 1 0 231.380 1.780 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]C2CSC2)C1 ZINC000307319028 490343848 /nfs/dbraw/zinc/34/38/48/490343848.db2.gz MYBYQALXHASISD-SCZZXKLOSA-N 1 0 200.351 1.032 10 0 BDAERO CC[C@H]1C[C@@H](C(=O)OC)Cc2[nH]c(N)[nH+]c21 ZINC000725256808 538058829 /nfs/dbraw/zinc/05/88/29/538058829.db2.gz ZDDCVSHZGIMUBX-NKWVEPMBSA-N 1 0 223.276 1.221 10 0 BDAERO Cc1nc2ccccc2n(C[C@H]2CC[NH2+]C2)c1=O ZINC000052099196 180102046 /nfs/dbraw/zinc/10/20/46/180102046.db2.gz CBXXOXLHSUKOHN-NSHDSACASA-N 1 0 243.310 1.314 10 0 BDAERO C[C@H]([NH3+])[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 ZINC000036427242 350173083 /nfs/dbraw/zinc/17/30/83/350173083.db2.gz LNGAXYIDZZFUHG-GMXVVIOVSA-N 1 0 232.327 1.943 10 0 BDAERO Cc1ccsc1C(=O)N(C)C[C@@H]1CCC[NH2+]1 ZINC000095070888 191053889 /nfs/dbraw/zinc/05/38/89/191053889.db2.gz LBYBMTOZKUIOHH-JTQLQIEISA-N 1 0 238.356 1.881 10 0 BDAERO CSc1nccc(NC[C@H]2CCC[NH2+]2)n1 ZINC000095071860 191054143 /nfs/dbraw/zinc/05/41/43/191054143.db2.gz FXQXXPWJIQOIJZ-MRVPVSSYSA-N 1 0 224.333 1.362 10 0 BDAERO Cc1ncc(CC[NH3+])c(C(F)(F)F)n1 ZINC000083285160 180138652 /nfs/dbraw/zinc/13/86/52/180138652.db2.gz LHABVKDZFDZDFL-UHFFFAOYSA-N 1 0 205.183 1.305 10 0 BDAERO CC[NH2+]Cc1nnn(C(C)C)c1-c1ccnn1C ZINC000725257517 538065717 /nfs/dbraw/zinc/06/57/17/538065717.db2.gz PJNDEGDVEOLGPL-UHFFFAOYSA-N 1 0 248.334 1.369 10 0 BDAERO Cc1csc2nc(C)c([C@@H]3C[C@H]3[NH3+])n12 ZINC000062494937 180117427 /nfs/dbraw/zinc/11/74/27/180117427.db2.gz NYXRTIPJNRABBW-HTQZYQBOSA-N 1 0 207.302 1.827 10 0 BDAERO Cc1ncc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)s1 ZINC000309053384 180126345 /nfs/dbraw/zinc/12/63/45/180126345.db2.gz RFCPZPHNJCDFLA-POYBYMJQSA-N 1 0 225.317 1.013 10 0 BDAERO C[C@H](O)C(C)(C)C[N@@H+]1CCS[C@@H](C)C1 ZINC000221032382 350194359 /nfs/dbraw/zinc/19/43/59/350194359.db2.gz JIUFUICHRJBYBL-UWVGGRQHSA-N 1 0 217.378 1.831 10 0 BDAERO Cc1ncc(COC[C@@H]2CC[NH2+]C2)s1 ZINC000062336973 180160526 /nfs/dbraw/zinc/16/05/26/180160526.db2.gz AWRGFQJECLEJOX-SECBINFHSA-N 1 0 212.318 1.578 10 0 BDAERO Cc1ncc(C[C@@]2(C[NH3+])CCOC2)s1 ZINC000062337636 180162781 /nfs/dbraw/zinc/16/27/81/180162781.db2.gz UMQNWZKHNHVNBM-SNVBAGLBSA-N 1 0 212.318 1.359 10 0 BDAERO Cc1nccc(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000129208500 180190778 /nfs/dbraw/zinc/19/07/78/180190778.db2.gz GIUUDMYVJLZZNR-ZWNOBZJWSA-N 1 0 246.358 1.500 10 0 BDAERO c1ncn(CC2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000221261368 350204329 /nfs/dbraw/zinc/20/43/29/350204329.db2.gz QQORYYQVFGOFGD-UHFFFAOYSA-N 1 0 242.326 1.600 10 0 BDAERO Cc1nccc(N[C@H]2c3ccccc3C[C@H]2[NH3+])n1 ZINC000104322565 180208108 /nfs/dbraw/zinc/20/81/08/180208108.db2.gz YVXWSOATTJLVDC-OCCSQVGLSA-N 1 0 240.310 1.822 10 0 BDAERO Cc1nccc(CN2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000044994827 180186720 /nfs/dbraw/zinc/18/67/20/180186720.db2.gz KHJGEUYPYPMNQX-ONGXEEELSA-N 1 0 220.320 1.097 10 0 BDAERO Cc1nccc(CNC2=[NH+]CCCS2)n1 ZINC000045005708 180187341 /nfs/dbraw/zinc/18/73/41/180187341.db2.gz IQXLYKQQJYXJNV-UHFFFAOYSA-N 1 0 222.317 1.368 10 0 BDAERO Cc1ncccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170982654 180210289 /nfs/dbraw/zinc/21/02/89/180210289.db2.gz UVKYULHZUWNJDY-GFCCVEGCSA-N 1 0 245.326 1.310 10 0 BDAERO Cc1ncccc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000335595257 180218251 /nfs/dbraw/zinc/21/82/51/180218251.db2.gz ARDQWANZFYRJGF-WCQYABFASA-N 1 0 220.316 1.735 10 0 BDAERO Cc1nccn1CC(=O)Nc1ccccc1C[NH3+] ZINC000022210514 180232356 /nfs/dbraw/zinc/23/23/56/180232356.db2.gz DGHHQGVDPJRJGL-UHFFFAOYSA-N 1 0 244.298 1.289 10 0 BDAERO Cc1nccn1CC[NH2+]CCc1ccncc1 ZINC000049330197 180260794 /nfs/dbraw/zinc/26/07/94/180260794.db2.gz YOEOXVIPXUMFHV-UHFFFAOYSA-N 1 0 230.315 1.419 10 0 BDAERO Cc1nccn1CC[NH2+]CCN1CCCCC1 ZINC000049575119 180260944 /nfs/dbraw/zinc/26/09/44/180260944.db2.gz JLZOXLWRIZDKQH-UHFFFAOYSA-N 1 0 236.363 1.267 10 0 BDAERO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(C)C)C[C@H]1C ZINC000319535160 350266935 /nfs/dbraw/zinc/26/69/35/350266935.db2.gz CTJKGPNNIVHLAK-OUAUKWLOSA-N 1 0 213.321 1.772 10 0 BDAERO Cc1nccn1Cc1ccc(C[NH3+])cc1F ZINC000019268224 180268820 /nfs/dbraw/zinc/26/88/20/180268820.db2.gz KVNGVOHXBSAMSM-UHFFFAOYSA-N 1 0 219.263 1.838 10 0 BDAERO Cc1nccn1[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336363 180270773 /nfs/dbraw/zinc/27/07/73/180270773.db2.gz GRPRWSTZIAZRHT-LDYMZIIASA-N 1 0 205.261 1.721 10 0 BDAERO Cc1nccn1[C@@H](C[NH3+])c1cccnc1 ZINC000043348727 180271094 /nfs/dbraw/zinc/27/10/94/180271094.db2.gz HPYKTDIQFDBUBY-NSHDSACASA-N 1 0 202.261 1.135 10 0 BDAERO Cc1nccn1[C@H](C[NH3+])c1ccccc1F ZINC000043046115 180271567 /nfs/dbraw/zinc/27/15/67/180271567.db2.gz LDEMYHSPVDZGLB-GFCCVEGCSA-N 1 0 219.263 1.879 10 0 BDAERO Cc1ncn(CC[C@@H]2CCC[NH2+]C2)c1C ZINC000051927072 180288034 /nfs/dbraw/zinc/28/80/34/180288034.db2.gz AYOXRXJPDSFKTI-LBPRGKRZSA-N 1 0 207.321 1.890 10 0 BDAERO Cc1ncn(C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1C ZINC000052593719 180288360 /nfs/dbraw/zinc/28/83/60/180288360.db2.gz WNRPJDANHOHDQU-KBPBESRZSA-N 1 0 249.358 1.800 10 0 BDAERO [NH3+]C[C@@H](n1cc(Cl)cn1)C(F)(F)F ZINC000038053333 350300230 /nfs/dbraw/zinc/30/02/30/350300230.db2.gz RZRWKCMLEFCYFE-RXMQYKEDSA-N 1 0 213.590 1.599 10 0 BDAERO C[C@@H]1C[S@](=O)[C@@H]2CCC(C)(C)[C@H]2[NH2+]1 ZINC000251856239 362953384 /nfs/dbraw/zinc/95/33/84/362953384.db2.gz RZSNLWZOGXVWLJ-SKNMHBRKSA-N 1 0 201.335 1.284 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC(C1CC1)C1CC1 ZINC000384386927 350311209 /nfs/dbraw/zinc/31/12/09/350311209.db2.gz MOQLEADETZRIKI-SKDRFNHKSA-N 1 0 236.359 1.679 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CCOC(F)(F)F ZINC000324314096 350292014 /nfs/dbraw/zinc/29/20/14/350292014.db2.gz FTYKAOZGQXFWPJ-ZETCQYMHSA-N 1 0 229.242 1.519 10 0 BDAERO Cc1ncsc1CN(C)CC[NH2+]C(C)C ZINC000082633169 180313653 /nfs/dbraw/zinc/31/36/53/180313653.db2.gz XIRCPJUOQPIHSY-UHFFFAOYSA-N 1 0 227.377 1.881 10 0 BDAERO Cc1ncoc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000083334093 180296347 /nfs/dbraw/zinc/29/63/47/180296347.db2.gz CYDITWJVKWXPJR-QMMMGPOBSA-N 1 0 234.259 1.500 10 0 BDAERO COCCC(=O)N[C@@H]1CCCC12CC[NH2+]CC2 ZINC000725264044 538090989 /nfs/dbraw/zinc/09/09/89/538090989.db2.gz HYOXUYKJNMEGJX-LLVKDONJSA-N 1 0 240.347 1.061 10 0 BDAERO Cc1ncsc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282476750 180323243 /nfs/dbraw/zinc/32/32/43/180323243.db2.gz VAUYWEJMFAHFSV-CBAPKCEASA-N 1 0 239.344 1.208 10 0 BDAERO Cc1nn(C)c(C)c1N[C@@H]1CCC[NH2+]C1 ZINC000043324766 180344678 /nfs/dbraw/zinc/34/46/78/180344678.db2.gz UTTAOWAEGIKLDF-SNVBAGLBSA-N 1 0 208.309 1.201 10 0 BDAERO Cc1nn(C)c(N(C)c2ccccc2)c1C[NH3+] ZINC000020469579 180352552 /nfs/dbraw/zinc/35/25/52/180352552.db2.gz VBBPUPWTSLYITB-UHFFFAOYSA-N 1 0 230.315 1.955 10 0 BDAERO C[N@H+]([C@@H]1CCSC1)[C@@H]1CCCC[C@H]1O ZINC000226239045 350411630 /nfs/dbraw/zinc/41/16/30/350411630.db2.gz GDKAYHLSYDIVBA-GMTAPVOTSA-N 1 0 215.362 1.727 10 0 BDAERO C[C@H]1CSCC[N@@H+]1[C@@H]1CCC[C@H]1O ZINC000226287053 350414786 /nfs/dbraw/zinc/41/47/86/350414786.db2.gz XXFBAMDVFJTYJJ-IVZWLZJFSA-N 1 0 201.335 1.337 10 0 BDAERO CC1(C)C[N@@H+]([C@@H]2CCC[C@H]2O)CCS1 ZINC000226291338 350414959 /nfs/dbraw/zinc/41/49/59/350414959.db2.gz YGANNIAMFMFXBP-NXEZZACHSA-N 1 0 215.362 1.727 10 0 BDAERO CCC[C@H](C)C(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000725264946 538092962 /nfs/dbraw/zinc/09/29/62/538092962.db2.gz ZLRYLOFGJZOXOB-VIFPVBQESA-N 1 0 246.301 1.490 10 0 BDAERO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1C[C@H]1CO ZINC000309422615 350451983 /nfs/dbraw/zinc/45/19/83/350451983.db2.gz ZXCSORBHYWSKMG-WCBMZHEXSA-N 1 0 223.320 1.178 10 0 BDAERO C[C@H]([NH2+]CC(C)(C)O)[C@H]1COc2ccccc21 ZINC000162983138 350490071 /nfs/dbraw/zinc/49/00/71/350490071.db2.gz MASXZPFTFDLNSO-CMPLNLGQSA-N 1 0 235.327 1.912 10 0 BDAERO [NH3+]C1CN(CC(=O)c2ccc(Cl)cc2)C1 ZINC000409423239 350474783 /nfs/dbraw/zinc/47/47/83/350474783.db2.gz MXPWNLWBARTPMM-UHFFFAOYSA-N 1 0 224.691 1.166 10 0 BDAERO CC(=O)c1cccc(-c2cnnn2C2C[NH2+]C2)c1 ZINC000725265967 538093784 /nfs/dbraw/zinc/09/37/84/538093784.db2.gz BKHYIZPKIBAOGZ-UHFFFAOYSA-N 1 0 242.282 1.292 10 0 BDAERO COc1ccc([C@H](F)CN2CC[NH2+]CC2)cc1 ZINC000409424695 350475708 /nfs/dbraw/zinc/47/57/08/350475708.db2.gz XMJXAKNRRHGSIB-CYBMUJFWSA-N 1 0 238.306 1.611 10 0 BDAERO FC[C@@H]1C[NH2+]C[C@H]1c1ccc2c(c1)OCO2 ZINC000409423883 350475988 /nfs/dbraw/zinc/47/59/88/350475988.db2.gz VILXRYMLMJLMAU-ZJUUUORDSA-N 1 0 223.247 1.688 10 0 BDAERO COc1ccccc1[C@H]1C[NH2+]C[C@H]1CF ZINC000409424228 350476077 /nfs/dbraw/zinc/47/60/77/350476077.db2.gz XTGAQCUYTAYKRU-KOLCDFICSA-N 1 0 209.264 1.968 10 0 BDAERO Cc1coc(-c2cnnn2[C@H]2CCC[NH2+]C2)n1 ZINC000725265944 538093844 /nfs/dbraw/zinc/09/38/44/538093844.db2.gz APBNICJHANJQDG-VIFPVBQESA-N 1 0 233.275 1.166 10 0 BDAERO Nc1cc(C2CCC2)nn1C[C@H]1CCC[NH2+]1 ZINC000409436827 350479901 /nfs/dbraw/zinc/47/99/01/350479901.db2.gz BCJVTIQOYDSZSS-SNVBAGLBSA-N 1 0 220.320 1.485 10 0 BDAERO CCc1cc(C(F)(F)F)nn1CC(N)=[NH2+] ZINC000409443962 350482943 /nfs/dbraw/zinc/48/29/43/350482943.db2.gz XNGWEQTWFHWSLZ-UHFFFAOYSA-N 1 0 220.198 1.400 10 0 BDAERO CCc1[nH]nc(-c2cccnc2)c1C[NH2+]C ZINC000409442250 350483027 /nfs/dbraw/zinc/48/30/27/350483027.db2.gz YCPYXTVQBIYSMB-UHFFFAOYSA-N 1 0 216.288 1.754 10 0 BDAERO CCNC(=O)N1CCCc2cc(CC[NH3+])ccc21 ZINC000725265030 538093335 /nfs/dbraw/zinc/09/33/35/538093335.db2.gz WQEJPFOYGKDEOF-UHFFFAOYSA-N 1 0 247.342 1.670 10 0 BDAERO Cc1nn(C[C@@H](C)[NH3+])c2cc(F)c(F)cc12 ZINC000033994391 180391213 /nfs/dbraw/zinc/39/12/13/180391213.db2.gz DRLGTCNDEBEPQP-ZCFIWIBFSA-N 1 0 225.242 1.970 10 0 BDAERO Cc1nnc(-c2ccccc2NC(=O)[C@@H](C)[NH3+])o1 ZINC000037008513 180396029 /nfs/dbraw/zinc/39/60/29/180396029.db2.gz GSIUCBCWEJWUGB-SSDOTTSWSA-N 1 0 246.270 1.331 10 0 BDAERO Cc1nn([C@H]2CC[N@@H+](C)C2)c(N)c1Cl ZINC000061989967 180393305 /nfs/dbraw/zinc/39/33/05/180393305.db2.gz PQICYOKBMLHIOU-ZETCQYMHSA-N 1 0 214.700 1.304 10 0 BDAERO Cc1nnc(-c2ccccc2NC(=O)[C@H](C)[NH3+])o1 ZINC000037008514 180396233 /nfs/dbraw/zinc/39/62/33/180396233.db2.gz GSIUCBCWEJWUGB-ZETCQYMHSA-N 1 0 246.270 1.331 10 0 BDAERO O=Cc1ccc(-c2cnnn2C2C[NH2+]C2)cc1F ZINC000725266040 538093993 /nfs/dbraw/zinc/09/39/93/538093993.db2.gz HHVWOBIONVISJV-UHFFFAOYSA-N 1 0 246.245 1.041 10 0 BDAERO Cc1nn(C[C@H](C)[NH3+])c2cc(F)c(F)cc12 ZINC000000025572 180390692 /nfs/dbraw/zinc/39/06/92/180390692.db2.gz DRLGTCNDEBEPQP-LURJTMIESA-N 1 0 225.242 1.970 10 0 BDAERO Cc1nn(C[C@H]2CCCO2)c(C)c1[C@@H](C)[NH3+] ZINC000054716436 180390702 /nfs/dbraw/zinc/39/07/02/180390702.db2.gz JZMIKRBVBOGNNH-LDYMZIIASA-N 1 0 223.320 1.699 10 0 BDAERO Cc1nn(C[C@@H]2CC[C@H](C[NH3+])O2)c(C)c1C ZINC000052591471 180390784 /nfs/dbraw/zinc/39/07/84/180390784.db2.gz GUPTYYQMPNHDNC-NEPJUHHUSA-N 1 0 223.320 1.315 10 0 BDAERO Cc1nnc(S[C@H](C)CC[NH3+])s1 ZINC000041042984 180439878 /nfs/dbraw/zinc/43/98/78/180439878.db2.gz OHCZSXYMUCCVLO-RXMQYKEDSA-N 1 0 203.336 1.676 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ncc[nH]2)CC1 ZINC000616594652 350596219 /nfs/dbraw/zinc/59/62/19/350596219.db2.gz HHEBIXCJUAHMPY-SNVBAGLBSA-N 1 0 223.320 1.972 10 0 BDAERO c1nnn([C@@H]2CCC[NH2+]CC2)c1-c1cccnc1 ZINC000725266185 538096145 /nfs/dbraw/zinc/09/61/45/538096145.db2.gz UXLVMQZHLLZCAK-GFCCVEGCSA-N 1 0 243.314 1.655 10 0 BDAERO CCC(CC)n1c2c(nc1N(C)C)C[NH2+]CC2 ZINC000725267029 538096881 /nfs/dbraw/zinc/09/68/81/538096881.db2.gz AQVVEEXRIHFQDD-UHFFFAOYSA-N 1 0 236.363 1.956 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@H](C)C2CCCC2)C1 ZINC000149652844 538096914 /nfs/dbraw/zinc/09/69/14/538096914.db2.gz XYUPCAZEBGBOQP-TZMCWYRMSA-N 1 0 240.391 1.875 10 0 BDAERO CCCC[NH2+]CC[C@@H](CO)[C@H]1COC(C)(C)O1 ZINC000725266897 538097725 /nfs/dbraw/zinc/09/77/25/538097725.db2.gz LUJWPEHZCBAHAX-NWDGAFQWSA-N 1 0 245.363 1.526 10 0 BDAERO C[NH2+][C@@H]1CCCN(C(=O)C2CC(C)C2)C1 ZINC000309546755 350745591 /nfs/dbraw/zinc/74/55/91/350745591.db2.gz BWLOFZOQSYUDMQ-VQXHTEKXSA-N 1 0 210.321 1.243 10 0 BDAERO Nc1ccccc1[C@H]1CCOCC[N@@H+]1CCO ZINC000616599209 350736844 /nfs/dbraw/zinc/73/68/44/350736844.db2.gz QFVIEIXJJHOXJV-CYBMUJFWSA-N 1 0 236.315 1.025 10 0 BDAERO CC[N@@H+]1CCCOC[C@@H]1c1ccccc1CO ZINC000616599235 350738250 /nfs/dbraw/zinc/73/82/50/350738250.db2.gz JDIKGKDBGDOMKT-CQSZACIVSA-N 1 0 235.327 1.962 10 0 BDAERO CC[N@@H+]1CCOCC[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616599938 350776886 /nfs/dbraw/zinc/77/68/86/350776886.db2.gz ZFBLJQDEYGCRDK-CYBMUJFWSA-N 1 0 248.326 1.569 10 0 BDAERO CCOC(=O)c1ccccc1[C@@H]1COCCN1 ZINC000616600299 350779634 /nfs/dbraw/zinc/77/96/34/350779634.db2.gz DYUXXVJPPMOTHL-LBPRGKRZSA-N 1 0 235.283 1.524 10 0 BDAERO Nc1cccc([C@H]2CCCC[N@H+](CCO)C2)n1 ZINC000616603235 350788795 /nfs/dbraw/zinc/78/87/95/350788795.db2.gz DLWCTKJVLDCAEQ-NSHDSACASA-N 1 0 235.331 1.226 10 0 BDAERO CC(C)[N@@H+]1CCN[C@H](c2ccccc2CO)C1 ZINC000616602533 350791688 /nfs/dbraw/zinc/79/16/88/350791688.db2.gz LBJVDBFDLAJUNI-AWEZNQCLSA-N 1 0 234.343 1.534 10 0 BDAERO [NH3+]CCN1CCCC[C@H](c2ccccn2)C1 ZINC000616604490 350793267 /nfs/dbraw/zinc/79/32/67/350793267.db2.gz QAUNCIQSDNYMRJ-LBPRGKRZSA-N 1 0 219.332 1.610 10 0 BDAERO NC(=O)c1ccc([C@@H]2CCCC[NH2+]C2)cc1 ZINC000616605163 350794211 /nfs/dbraw/zinc/79/42/11/350794211.db2.gz IDOJYEHRHBMFIY-GFCCVEGCSA-N 1 0 218.300 1.643 10 0 BDAERO [NH3+]CCN1CCCC[C@H](OC(F)(F)F)C1 ZINC000616604929 350794267 /nfs/dbraw/zinc/79/42/67/350794267.db2.gz UQCZITLTZQCUND-QMMMGPOBSA-N 1 0 226.242 1.336 10 0 BDAERO OCC[N@@H+]1CCC[C@@H]1c1cccc(CO)c1 ZINC000616606886 350799563 /nfs/dbraw/zinc/79/95/63/350799563.db2.gz GYBQRFGOFXJEEK-CYBMUJFWSA-N 1 0 221.300 1.308 10 0 BDAERO CNc1ccccc1[C@H]1CCC[N@@H+]1CCO ZINC000616608497 350804506 /nfs/dbraw/zinc/80/45/06/350804506.db2.gz UIOPBXSZTOITKY-CYBMUJFWSA-N 1 0 220.316 1.858 10 0 BDAERO CC(C)(C)N1CCCC[C@H]1S(C)(=O)=O ZINC000616610443 350805565 /nfs/dbraw/zinc/80/55/65/350805565.db2.gz IWCAPEWEXGOIMT-SECBINFHSA-N 1 0 219.350 1.642 10 0 BDAERO C[C@@H]1SCC[C@@H]1[N@@H+]1CCCN[C@H](C)C1 ZINC000306677738 350832688 /nfs/dbraw/zinc/83/26/88/350832688.db2.gz ZSHBBNBXCIYZQY-VWYCJHECSA-N 1 0 214.378 1.564 10 0 BDAERO CC[C@@]([NH3+])(COC)C(=O)NCc1ccccc1 ZINC000306700670 350850578 /nfs/dbraw/zinc/85/05/78/350850578.db2.gz JTNUTSQYBJFMAS-CYBMUJFWSA-N 1 0 236.315 1.057 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@H]2CSC[C@H]2C)S1 ZINC000306733121 350903410 /nfs/dbraw/zinc/90/34/10/350903410.db2.gz ICJAZPFLQLJKTD-PRJMDXOYSA-N 1 0 216.375 1.819 10 0 BDAERO [NH3+]C[C@H](O)Cc1ccsc1Br ZINC000306734669 350903767 /nfs/dbraw/zinc/90/37/67/350903767.db2.gz OHBSYXJGNZETEA-ZCFIWIBFSA-N 1 0 236.134 1.373 10 0 BDAERO C[NH2+]Cc1ncc(-c2ccn(C)n2)s1 ZINC000306736175 350907235 /nfs/dbraw/zinc/90/72/35/350907235.db2.gz XDDYXBXSXNXEIP-UHFFFAOYSA-N 1 0 208.290 1.263 10 0 BDAERO C[C@@H]1C[C@@H]2[NH2+]C[C@H](C)S[C@H]2[C@H](C)O1 ZINC000252179134 350909465 /nfs/dbraw/zinc/90/94/65/350909465.db2.gz SPHIJUAGPDQHTQ-MBGOZMDMSA-N 1 0 201.335 1.646 10 0 BDAERO C[C@H]1CS[C@]2(C[C@@H](C)O[C@@H](C)C2)[NH2+]1 ZINC000252161127 350909682 /nfs/dbraw/zinc/90/96/82/350909682.db2.gz PVYMCIJMUYWQQI-AXTSPUMRSA-N 1 0 201.335 1.995 10 0 BDAERO COC[C@H]([NH3+])[C@H]1SCCS[C@H]1C ZINC000252722227 350914568 /nfs/dbraw/zinc/91/45/68/350914568.db2.gz PYWNQNQTFZFNFA-FXQIFTODSA-N 1 0 207.364 1.197 10 0 BDAERO C[C@@H]1SCCS[C@H]1[C@H]([NH3+])C1CC1 ZINC000252719158 350914998 /nfs/dbraw/zinc/91/49/98/350914998.db2.gz HAVTUZBZQWXQLK-NBEYISGCSA-N 1 0 203.376 1.961 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]([C@H]2CCOC2)CS1 ZINC000252825579 350915685 /nfs/dbraw/zinc/91/56/85/350915685.db2.gz FTKFAXTYSLWXPW-KXUCPTDWSA-N 1 0 201.335 1.507 10 0 BDAERO C[C@H]1CN(C[C@H]2CCCC[NH2+]2)CCS1 ZINC000252981002 350917966 /nfs/dbraw/zinc/91/79/66/350917966.db2.gz PEQSZNXIFZXTMC-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO C[C@@H]1SCCN([C@H]2CC[NH2+]C2)[C@H]1C ZINC000253062642 350918002 /nfs/dbraw/zinc/91/80/02/350918002.db2.gz FZCORUICCUJOBP-GUBZILKMSA-N 1 0 200.351 1.174 10 0 BDAERO CC[C@@H]1C[NH2+]CC[C@@]12NC[C@H](C)S2 ZINC000253349653 350920742 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232.327 1.985 10 0 BDAERO CCOC(=O)c1cccc([C@H]2C[NH2+]CCN2)c1 ZINC000616628892 351099362 /nfs/dbraw/zinc/09/93/62/351099362.db2.gz FXEHXUPYWYQIEG-GFCCVEGCSA-N 1 0 234.299 1.097 10 0 BDAERO CC[S@@](C)(=O)=NC[C@@H]1CCCC[NH2+]1 ZINC000306842669 351156998 /nfs/dbraw/zinc/15/69/98/351156998.db2.gz BZLIOZJOFQVFPF-TVQRCGJNSA-N 1 0 204.339 1.246 10 0 BDAERO C[C@@H]1CC[S@@](=O)C[C@H](C2CCC2)[NH2+]1 ZINC000306844474 351158114 /nfs/dbraw/zinc/15/81/14/351158114.db2.gz HHRUJXZFRAIZKB-ZDSQKVDBSA-N 1 0 201.335 1.286 10 0 BDAERO C[NH2+][C@@H](C)c1nnnn1-c1ccsc1 ZINC000231717891 351163488 /nfs/dbraw/zinc/16/34/88/351163488.db2.gz BKIWISWASLXJSY-LURJTMIESA-N 1 0 209.278 1.004 10 0 BDAERO OCCc1ccccc1[C@@H]1COCCC[NH2+]1 ZINC000616647025 351164237 /nfs/dbraw/zinc/16/42/37/351164237.db2.gz IQWIMYQIKQEBGX-ZDUSSCGKSA-N 1 0 221.300 1.272 10 0 BDAERO CC[N@@H+]1CCCO[C@@H](c2cccnc2N)C1 ZINC000616653673 351193505 /nfs/dbraw/zinc/19/35/05/351193505.db2.gz TZBZCYPCETWYKZ-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO CNc1ccc([C@@H]2COCCCN2CC[NH3+])cc1 ZINC000616646478 351171108 /nfs/dbraw/zinc/17/11/08/351171108.db2.gz XFGJFMURJNYVSY-AWEZNQCLSA-N 1 0 249.358 1.450 10 0 BDAERO OCCc1ccc([C@@H]2COCCC[NH2+]2)cc1 ZINC000616647891 351174922 /nfs/dbraw/zinc/17/49/22/351174922.db2.gz OODYUXZKRLLVAZ-ZDUSSCGKSA-N 1 0 221.300 1.272 10 0 BDAERO Nc1cccc([C@@H]2CCCC[N@H+](CCO)C2)c1 ZINC000616653985 351194501 /nfs/dbraw/zinc/19/45/01/351194501.db2.gz HXGWTGRWQIFHQV-CYBMUJFWSA-N 1 0 234.343 1.831 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@H]1C[NH2+]CCCO1 ZINC000616650735 351185386 /nfs/dbraw/zinc/18/53/86/351185386.db2.gz FOFPFDLJXSICIC-SECBINFHSA-N 1 0 230.308 1.189 10 0 BDAERO O[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616653429 351186044 /nfs/dbraw/zinc/18/60/44/351186044.db2.gz WANOWVRSBXGWEB-LBPRGKRZSA-N 1 0 207.273 1.227 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2ncccn2)C1 ZINC000616652121 351189829 /nfs/dbraw/zinc/18/98/29/351189829.db2.gz DRVLVVSVYLKWKL-LLVKDONJSA-N 1 0 221.304 1.038 10 0 BDAERO Cn1cc([C@H]([NH3+])Cc2ccsc2)nn1 ZINC000306823612 351129804 /nfs/dbraw/zinc/12/98/04/351129804.db2.gz QWFVSMHCXHLIIL-MRVPVSSYSA-N 1 0 208.290 1.119 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1cccc(CO)c1 ZINC000616637315 351132105 /nfs/dbraw/zinc/13/21/05/351132105.db2.gz JPTOPMOLBJGQER-CQSZACIVSA-N 1 0 248.370 1.924 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1ccccc1C(N)=O ZINC000616637798 351134037 /nfs/dbraw/zinc/13/40/37/351134037.db2.gz QQYYFZKFZGULEL-ZDUSSCGKSA-N 1 0 247.342 1.140 10 0 BDAERO OCC[N@@H+]1CCCC[C@@H](c2ccncn2)C1 ZINC000616654848 351191256 /nfs/dbraw/zinc/19/12/56/351191256.db2.gz PBJNMIALQRIOQH-LLVKDONJSA-N 1 0 221.304 1.038 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cncnc1 ZINC000616637880 351136749 /nfs/dbraw/zinc/13/67/49/351136749.db2.gz ROFQYEASIDGWEJ-NSHDSACASA-N 1 0 220.320 1.221 10 0 BDAERO CCN1CC[NH2+]C[C@H]1c1cccc2ccnnc21 ZINC000616638567 351140756 /nfs/dbraw/zinc/14/07/56/351140756.db2.gz YPDXWQCWICXRIJ-ZDUSSCGKSA-N 1 0 242.326 1.596 10 0 BDAERO [NH3+]CCN1C[C@H](c2conn2)Cc2ccccc21 ZINC000616672170 351235153 /nfs/dbraw/zinc/23/51/53/351235153.db2.gz JZXIJGQJLAPDNM-LLVKDONJSA-N 1 0 244.298 1.175 10 0 BDAERO [NH3+]CCN1C[C@@H](n2ccnc2)Cc2ccccc21 ZINC000616673434 351237513 /nfs/dbraw/zinc/23/75/13/351237513.db2.gz XVIZCKNOWGQBPN-ZDUSSCGKSA-N 1 0 242.326 1.446 10 0 BDAERO [NH3+]CCN1C[C@H](c2ccno2)Cc2ccccc21 ZINC000616672814 351239457 /nfs/dbraw/zinc/23/94/57/351239457.db2.gz NFZGASRPDPIDKF-GFCCVEGCSA-N 1 0 243.310 1.780 10 0 BDAERO C[C@H]1CC[C@@H](C(=O)c2cnccn2)C[NH2+]1 ZINC000306864250 351245916 /nfs/dbraw/zinc/24/59/16/351245916.db2.gz KADINWZHHLYKHH-DTWKUNHWSA-N 1 0 205.261 1.047 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)c2cnccn2)C[NH2+]1 ZINC000306864249 351246372 /nfs/dbraw/zinc/24/63/72/351246372.db2.gz KADINWZHHLYKHH-BDAKNGLRSA-N 1 0 205.261 1.047 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ncco1 ZINC000616680907 351248471 /nfs/dbraw/zinc/24/84/71/351248471.db2.gz QYKYRWBJLCJYJC-ZDUSSCGKSA-N 1 0 243.310 1.581 10 0 BDAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cn[nH]c1 ZINC000616678967 351248920 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KQHPHVWHJHJJDY-MRVPVSSYSA-N 1 0 208.290 1.348 10 0 BDAERO CC(C)[N@@H+]1CC[C@@H](N2CN=NC2=S)C1 ZINC000306881245 351278869 /nfs/dbraw/zinc/27/88/69/351278869.db2.gz LWBIJIBWRIEODX-MRVPVSSYSA-N 1 0 212.322 1.222 10 0 BDAERO CC[NH+](CC)CCC[C@H](C)NC(N)=S ZINC000034971913 351369927 /nfs/dbraw/zinc/36/99/27/351369927.db2.gz KZNSQGNGCFIKLL-VIFPVBQESA-N 1 0 217.382 1.330 10 0 BDAERO [NH3+][C@H]1C[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000306974181 351394960 /nfs/dbraw/zinc/39/49/60/351394960.db2.gz LYKKEEQATWAHDO-OLZOCXBDSA-N 1 0 213.284 1.746 10 0 BDAERO CC(C)([NH3+])[C@H](O)C(F)(F)Br ZINC000306928656 351344960 /nfs/dbraw/zinc/34/49/60/351344960.db2.gz YUCPUGZKHZCLGF-VKHMYHEASA-N 1 0 218.041 1.072 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1C[C@@H](C)CC1(C)C ZINC000306929186 351345977 /nfs/dbraw/zinc/34/59/77/351345977.db2.gz AXBMTRDPDUIUPM-YUMQZZPRSA-N 1 0 200.351 1.781 10 0 BDAERO CC(C)(O)CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000380090369 351349352 /nfs/dbraw/zinc/34/93/52/351349352.db2.gz IRKZJTXFRHJBCG-CMPLNLGQSA-N 1 0 215.337 1.288 10 0 BDAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000034938645 351352963 /nfs/dbraw/zinc/35/29/63/351352963.db2.gz GEKKPPJYPIXEKP-ZYHUDNBSSA-N 1 0 242.363 1.448 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@@H]1N1CCC[C@H]1C ZINC000252093717 363027330 /nfs/dbraw/zinc/02/73/30/363027330.db2.gz FCCPPBZYRYRQAQ-KXUCPTDWSA-N 1 0 200.351 1.174 10 0 BDAERO CCN(Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000034958055 351364692 /nfs/dbraw/zinc/36/46/92/351364692.db2.gz BGCKEMOKNOQACX-UHFFFAOYSA-N 1 0 247.342 1.534 10 0 BDAERO C[C@H]1SC(NCc2ccon2)=[NH+][C@H]1C ZINC000307023650 351428909 /nfs/dbraw/zinc/42/89/09/351428909.db2.gz VOXLCNAVFGYLHP-NKWVEPMBSA-N 1 0 211.290 1.644 10 0 BDAERO [NH3+][C@@H](CN1CCOCC1)c1ccsc1 ZINC000307023619 351429017 /nfs/dbraw/zinc/42/90/17/351429017.db2.gz VNVWOTNBZPIECV-JTQLQIEISA-N 1 0 212.318 1.080 10 0 BDAERO COC[C@@](C)([NH3+])CN(C)Cc1ccccc1 ZINC000307034272 351435543 /nfs/dbraw/zinc/43/55/43/351435543.db2.gz UZFJJFJQLAIGKU-ZDUSSCGKSA-N 1 0 222.332 1.482 10 0 BDAERO C[C@@H]1[C@@H](C2CCC2)[NH2+]CCC[S@]1=O ZINC000307039585 351436986 /nfs/dbraw/zinc/43/69/86/351436986.db2.gz IJWBZHYGESEBDU-DFAYQTQMSA-N 1 0 201.335 1.286 10 0 BDAERO [NH3+][C@H](c1cscn1)[C@H]1CSCCO1 ZINC000307044926 351445993 /nfs/dbraw/zinc/44/59/93/351445993.db2.gz UROXLPCTELPWQC-HTQZYQBOSA-N 1 0 216.331 1.275 10 0 BDAERO C[C@H]([NH3+])CN1CCC=C(Br)C1 ZINC000404435782 351447907 /nfs/dbraw/zinc/44/79/07/351447907.db2.gz SYQYGELYAGMMCF-ZETCQYMHSA-N 1 0 219.126 1.318 10 0 BDAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1O ZINC000307051686 351453301 /nfs/dbraw/zinc/45/33/01/351453301.db2.gz SYMYWBQYPSWNIN-VGMNWLOBSA-N 1 0 201.335 1.383 10 0 BDAERO CC(C)[C@H]1[C@@H](C)[NH2+]C[C@@H](C)C[S@@]1=O ZINC000307072000 351467070 /nfs/dbraw/zinc/46/70/70/351467070.db2.gz YBCDWKKAMROPCQ-DNJQJEMRSA-N 1 0 203.351 1.388 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCCOCC1 ZINC000307058773 351457780 /nfs/dbraw/zinc/45/77/80/351457780.db2.gz MCGGAVNFUMPIDG-CYBMUJFWSA-N 1 0 247.342 1.870 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@H]1CCOC1 ZINC000252711901 538100257 /nfs/dbraw/zinc/10/02/57/538100257.db2.gz KXCFNIFWTPZUNZ-NNYUYHANSA-N 1 0 213.321 1.305 10 0 BDAERO CC[C@H](O)CCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000398479949 351422814 /nfs/dbraw/zinc/42/28/14/351422814.db2.gz VODMRBRNWJUAOG-RYUDHWBXSA-N 1 0 242.363 1.043 10 0 BDAERO CCC[N@@H+]1CC[C@H](Nc2nncs2)C1 ZINC000307148098 351498648 /nfs/dbraw/zinc/49/86/48/351498648.db2.gz IKDCMVXZTANCHT-QMMMGPOBSA-N 1 0 212.322 1.434 10 0 BDAERO CSC1CCN([C@H](C)[C@H](C)[NH3+])CC1 ZINC000307148465 351501754 /nfs/dbraw/zinc/50/17/54/351501754.db2.gz QDEQABDWHKRZPL-DTWKUNHWSA-N 1 0 202.367 1.550 10 0 BDAERO CSC1CCN([C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000307148464 351501974 /nfs/dbraw/zinc/50/19/74/351501974.db2.gz QDEQABDWHKRZPL-BDAKNGLRSA-N 1 0 202.367 1.550 10 0 BDAERO [NH3+]Cc1cc(O)c(F)cc1Br ZINC000307114020 351485915 /nfs/dbraw/zinc/48/59/15/351485915.db2.gz RUTJWQBEPKMOLX-UHFFFAOYSA-N 1 0 220.041 1.753 10 0 BDAERO Cc1nsc(N[C@@H]2CCC[NH2+]CC2)n1 ZINC000226470324 363066140 /nfs/dbraw/zinc/06/61/40/363066140.db2.gz KQYOGONKWKZBSR-MRVPVSSYSA-N 1 0 212.322 1.401 10 0 BDAERO Cc1nc(N)cc(SC(C)(C)CO)n1 ZINC000307197197 351597262 /nfs/dbraw/zinc/59/72/62/351597262.db2.gz QUNHLFQGLUARLW-UHFFFAOYSA-N 1 0 213.306 1.230 10 0 BDAERO CC[S@](C)(=O)=NC[C@@H]1[NH2+]CC[C@@H]1C ZINC000307204568 351605549 /nfs/dbraw/zinc/60/55/49/351605549.db2.gz GQUACCVXYIQWEA-RVBZMBCESA-N 1 0 204.339 1.102 10 0 BDAERO [NH3+][C@H](CO)[C@@H](O)C1CCCCCCC1 ZINC000300866127 363076253 /nfs/dbraw/zinc/07/62/53/363076253.db2.gz OVPLTBZOLZNCQP-MNOVXSKESA-N 1 0 201.310 1.027 10 0 BDAERO C[C@@H]1SCCN(C[C@@H]2CC[NH2+]2)[C@H]1C ZINC000307222658 351652871 /nfs/dbraw/zinc/65/28/71/351652871.db2.gz ZCDAPYDAUFSGOZ-GUBZILKMSA-N 1 0 200.351 1.174 10 0 BDAERO CC[C@@H]1CS[C@]2(C[C@@H](C)O[C@H]2C)[NH2+]1 ZINC000307225946 351663762 /nfs/dbraw/zinc/66/37/62/351663762.db2.gz VDFIOOQNFQTAKW-RGOKHQFPSA-N 1 0 201.335 1.995 10 0 BDAERO Cn1ccc(NC(=[NH2+])NCc2ccccc2)n1 ZINC000307227450 351670359 /nfs/dbraw/zinc/67/03/59/351670359.db2.gz DONZWYMDTVDAGR-UHFFFAOYSA-N 1 0 229.287 1.557 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)[C@H]1CCCC12CC2 ZINC000637825664 351671554 /nfs/dbraw/zinc/67/15/54/351671554.db2.gz YKPDNQMZQVCPIO-NXEZZACHSA-N 1 0 210.321 1.420 10 0 BDAERO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC12CC2 ZINC000637857638 351717794 /nfs/dbraw/zinc/71/77/94/351717794.db2.gz MNEXUPRZNWWJNT-MNOVXSKESA-N 1 0 222.332 1.516 10 0 BDAERO [NH3+][C@H]1CCCc2nc(N3CCC3)sc21 ZINC000307237427 351726480 /nfs/dbraw/zinc/72/64/80/351726480.db2.gz XEQSYKYHWPRSQZ-ZETCQYMHSA-N 1 0 209.318 1.689 10 0 BDAERO CC(C)[NH2+]Cc1cc(N)cc2c1OCO2 ZINC000725268788 538101055 /nfs/dbraw/zinc/10/10/55/538101055.db2.gz ARUIFJRKHREALB-UHFFFAOYSA-N 1 0 208.261 1.496 10 0 BDAERO Cc1ccc(C[NH2+]CC2CC(O)C2)cn1 ZINC000162264380 323601783 /nfs/dbraw/zinc/60/17/83/323601783.db2.gz XVGHSDWURGICBV-UHFFFAOYSA-N 1 0 206.289 1.251 10 0 BDAERO CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C(C)C ZINC000637877352 351742436 /nfs/dbraw/zinc/74/24/36/351742436.db2.gz QGBSQVMCWBRRSM-WDEREUQCSA-N 1 0 214.353 1.911 10 0 BDAERO CCn1nccc1-c1cnc(C[NH3+])s1 ZINC000307272831 351826714 /nfs/dbraw/zinc/82/67/14/351826714.db2.gz JJUMDFISDQPPLI-UHFFFAOYSA-N 1 0 208.290 1.485 10 0 BDAERO CC[NH2+][C@@H](C)C(=O)N[C@H](CC)C(C)C ZINC000637952485 351827657 /nfs/dbraw/zinc/82/76/57/351827657.db2.gz QJCRSHFMGVMAOJ-VHSXEESVSA-N 1 0 200.326 1.535 10 0 BDAERO CS[C@H]1CCC[N@@H+]([C@H](C)C(N)=S)CC1 ZINC000300879047 363092418 /nfs/dbraw/zinc/09/24/18/363092418.db2.gz SAEIPWXVQZAOJC-BDAKNGLRSA-N 1 0 232.418 1.879 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2CCS[C@@H]2C)S1 ZINC000307282930 351844136 /nfs/dbraw/zinc/84/41/36/351844136.db2.gz HUJMOYHUQTXZJW-BWZBUEFSSA-N 1 0 216.375 1.961 10 0 BDAERO C[C@H]([NH3+])c1csc(C2CSC2)n1 ZINC000404718259 351921632 /nfs/dbraw/zinc/92/16/32/351921632.db2.gz IRSDOGNIVXZIQO-YFKPBYRVSA-N 1 0 200.332 1.993 10 0 BDAERO C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000307305187 351931810 /nfs/dbraw/zinc/93/18/10/351931810.db2.gz CPNVIZRIIHGXIR-IUCAKERBSA-N 1 0 216.325 1.898 10 0 BDAERO c1cnc(S[C@H]2CCC[NH2+]CC2)nc1 ZINC000300884030 363100235 /nfs/dbraw/zinc/10/02/35/363100235.db2.gz STCRQKXLZYXTMA-VIFPVBQESA-N 1 0 209.318 1.711 10 0 BDAERO CC(C)CC(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725269534 538101801 /nfs/dbraw/zinc/10/18/01/538101801.db2.gz NFBLSYXBUDOEJL-LLVKDONJSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@H]1CC[NH2+][C@@]2(COCC2(C)C)S1 ZINC000307335461 352055104 /nfs/dbraw/zinc/05/51/04/352055104.db2.gz NCUCZHJKWJVXEP-WPRPVWTQSA-N 1 0 201.335 1.854 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC34CC4)C[C@@H]12 ZINC000638168701 352036125 /nfs/dbraw/zinc/03/61/25/352036125.db2.gz UTZXSJRFZKUKQR-FVCCEPFGSA-N 1 0 248.370 1.762 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)C[C@H](C)C(F)(F)F ZINC000638220711 352080105 /nfs/dbraw/zinc/08/01/05/352080105.db2.gz CJKWHTQKDRYINX-NKWVEPMBSA-N 1 0 226.242 1.299 10 0 BDAERO CCC[C@@H](C)C(=O)Nc1cccc(C[NH3+])n1 ZINC000725270100 538102011 /nfs/dbraw/zinc/10/20/11/538102011.db2.gz FQUYZWCPEZPDII-SECBINFHSA-N 1 0 221.304 1.915 10 0 BDAERO CCC[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)OCC ZINC000638458665 352270062 /nfs/dbraw/zinc/27/00/62/352270062.db2.gz UGTZZOWMGLXOHM-NWDGAFQWSA-N 1 0 244.379 1.681 10 0 BDAERO CCC[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)OCC ZINC000638459020 352270911 /nfs/dbraw/zinc/27/09/11/352270911.db2.gz WNWWEKZAXDEVDY-IJLUTSLNSA-N 1 0 242.363 1.163 10 0 BDAERO CCC[C@H](CNC(=O)[C@H]([NH3+])[C@H](C)CC)OCC ZINC000638457006 352271558 /nfs/dbraw/zinc/27/15/58/352271558.db2.gz ILKMNUHPBMSCPA-IJLUTSLNSA-N 1 0 244.379 1.681 10 0 BDAERO CCNC(=O)c1cc(C[NH3+])n2c1CCCC2 ZINC000725271149 538103276 /nfs/dbraw/zinc/10/32/76/538103276.db2.gz HXZBTCSWRYOZEL-UHFFFAOYSA-N 1 0 221.304 1.033 10 0 BDAERO COCCNC(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725271435 538103113 /nfs/dbraw/zinc/10/31/13/538103113.db2.gz MVYCHIWJXXBZTG-NSHDSACASA-N 1 0 249.314 1.401 10 0 BDAERO CC(C)CC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000725271453 538103140 /nfs/dbraw/zinc/10/31/40/538103140.db2.gz NIRDMDWYCCGRCY-QWRGUYRKSA-N 1 0 212.337 1.476 10 0 BDAERO C[C@@H]1CN(C(=O)C2CCC2)CC[C@H]1C[NH3+] ZINC000725271385 538103161 /nfs/dbraw/zinc/10/31/61/538103161.db2.gz LJDVEUFGQMUZSV-KOLCDFICSA-N 1 0 210.321 1.230 10 0 BDAERO Cc1ncccc1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000638601068 352434582 /nfs/dbraw/zinc/43/45/82/352434582.db2.gz IAHRWNNSQFTBJI-CYBMUJFWSA-N 1 0 247.342 1.538 10 0 BDAERO COC[C@@H]([NH3+])c1nscc1Br ZINC000404791127 352469803 /nfs/dbraw/zinc/46/98/03/352469803.db2.gz FBOKNTPOVCYACT-RXMQYKEDSA-N 1 0 237.122 1.552 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1[C@H]1CCCSC1 ZINC000307384879 352511456 /nfs/dbraw/zinc/51/14/56/352511456.db2.gz JBJRVOKKDAHCRY-VWYCJHECSA-N 1 0 214.378 1.694 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1sccc1F ZINC000307383815 352511957 /nfs/dbraw/zinc/51/19/57/352511957.db2.gz HTQQIVUBRHBWPE-PHDIDXHHSA-N 1 0 216.281 1.353 10 0 BDAERO O=C1[C@@H]2CC[NH2+]C[C@H]2CN1Cc1ccccc1 ZINC000307411546 352589355 /nfs/dbraw/zinc/58/93/55/352589355.db2.gz HQBNUKOEZYAZBH-QWHCGFSZSA-N 1 0 230.311 1.255 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]([C@@]2(C)CCCS2)O1 ZINC000307448680 352603032 /nfs/dbraw/zinc/60/30/32/352603032.db2.gz MCHQVHSPVSQDHR-OPRDCNLKSA-N 1 0 201.335 1.649 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)NCc1ccccc1 ZINC000232307299 352611943 /nfs/dbraw/zinc/61/19/43/352611943.db2.gz GELYMCHDIRRXPT-DGCLKSJQSA-N 1 0 247.342 1.708 10 0 BDAERO CN1c2ccccc2C[C@H]([C@H]2CCC[NH2+]2)C1=O ZINC000498035917 352568451 /nfs/dbraw/zinc/56/84/51/352568451.db2.gz ZFWWNYPWGYHNBS-VXGBXAGGSA-N 1 0 230.311 1.574 10 0 BDAERO Cc1nnc([C@@]2(C[NH3+])CCC[C@H]2C)s1 ZINC000307404252 352579758 /nfs/dbraw/zinc/57/97/58/352579758.db2.gz DXUZYWJVGSBHSR-GMSGAONNSA-N 1 0 211.334 1.863 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)NC2(C(F)F)CC2)C1 ZINC000638726599 352584797 /nfs/dbraw/zinc/58/47/97/352584797.db2.gz UMZQOIVZPRWRRI-RQJHMYQMSA-N 1 0 218.247 1.028 10 0 BDAERO C[C@H]1CSC[C@@H]1N1CC[NH2+][C@H](C)C1 ZINC000307409207 352585362 /nfs/dbraw/zinc/58/53/62/352585362.db2.gz FJMOLTMCOOFFHD-AEJSXWLSSA-N 1 0 200.351 1.032 10 0 BDAERO CC(C)[C@H](C[NH3+])CC(=O)NCc1ccccn1 ZINC000076618177 187791704 /nfs/dbraw/zinc/79/17/04/187791704.db2.gz IYWAERMLLHNBLG-NSHDSACASA-N 1 0 235.331 1.319 10 0 BDAERO Cc1ccc(CNC(=O)CC[C@@H](C)C[NH3+])cc1 ZINC000076617019 187791929 /nfs/dbraw/zinc/79/19/29/187791929.db2.gz LLLPFEIPAAWWMM-GFCCVEGCSA-N 1 0 234.343 1.986 10 0 BDAERO [NH3+]C[C@@H]1CCCCN(C(=O)C(F)(F)F)C1 ZINC000307540745 352644456 /nfs/dbraw/zinc/64/44/56/352644456.db2.gz AHDAOZATOQMYSM-ZETCQYMHSA-N 1 0 224.226 1.136 10 0 BDAERO CNC(=[NH2+])N[C@H](C)CCOCc1ccccc1 ZINC000307554412 352648825 /nfs/dbraw/zinc/64/88/25/352648825.db2.gz WSHMIAPFMZBLBR-LLVKDONJSA-N 1 0 235.331 1.726 10 0 BDAERO COC[C@@H]1CC[C@H]([C@@H]2CCCCC[NH2+]2)O1 ZINC000307560042 352649487 /nfs/dbraw/zinc/64/94/87/352649487.db2.gz HADJJMAYRCMFHN-SDDRHHMPSA-N 1 0 213.321 1.713 10 0 BDAERO Cc1cc([C@H]([NH3+])C2CSC2)sn1 ZINC000404979945 352652787 /nfs/dbraw/zinc/65/27/87/352652787.db2.gz FSWBDSQTPPBNBH-MRVPVSSYSA-N 1 0 200.332 1.814 10 0 BDAERO CC1(C)[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1 ZINC000307584949 352662017 /nfs/dbraw/zinc/66/20/17/352662017.db2.gz KDSMTTXJWPQXOB-LBPRGKRZSA-N 1 0 247.342 1.708 10 0 BDAERO O=c1oc2ccccc2n1CC1CC[NH2+]CC1 ZINC000041630906 187775619 /nfs/dbraw/zinc/77/56/19/187775619.db2.gz XLKGBLZNIXJTBA-UHFFFAOYSA-N 1 0 232.283 1.594 10 0 BDAERO C[C@H]1CCS[C@@]2(COC(C)(C)C2)[NH2+]1 ZINC000307487402 352621302 /nfs/dbraw/zinc/62/13/02/352621302.db2.gz CAWJLVXQSLBLRA-WPRPVWTQSA-N 1 0 201.335 1.997 10 0 BDAERO C[NH2+]Cc1ccc(Cn2cc(C)cn2)cc1 ZINC000052576966 187781744 /nfs/dbraw/zinc/78/17/44/187781744.db2.gz FXDOMNJFTCEADN-UHFFFAOYSA-N 1 0 215.300 1.959 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2cccc(COC)c2)C1 ZINC000053032062 187782121 /nfs/dbraw/zinc/78/21/21/187782121.db2.gz XBWIROJEIKUUHE-ZDUSSCGKSA-N 1 0 234.343 1.879 10 0 BDAERO CC(C)Cn1ccnc(NCCCC[NH3+])c1=O ZINC000061761733 187783903 /nfs/dbraw/zinc/78/39/03/187783903.db2.gz BHVQZIAESIQRNP-UHFFFAOYSA-N 1 0 238.335 1.050 10 0 BDAERO CC(F)(F)c1nc([C@H]([NH3+])C2CC2)no1 ZINC000307531433 352638181 /nfs/dbraw/zinc/63/81/81/352638181.db2.gz UYMHJXUYOMRLFT-RXMQYKEDSA-N 1 0 203.192 1.591 10 0 BDAERO CC(C)[C@H](C)CC(=O)NCCCC[NH3+] ZINC000236630750 187802210 /nfs/dbraw/zinc/80/22/10/187802210.db2.gz PAOAWAFPUNMTRE-SNVBAGLBSA-N 1 0 200.326 1.524 10 0 BDAERO CC(C)[C@@](C)(C[NH3+])N1CCOCC1(C)C ZINC000042461473 187804947 /nfs/dbraw/zinc/80/49/47/187804947.db2.gz ZTEKJHWINPBVPJ-GFCCVEGCSA-N 1 0 214.353 1.471 10 0 BDAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCOC[C@@H]2O)C1 ZINC000725273288 538105053 /nfs/dbraw/zinc/10/50/53/538105053.db2.gz SQYVXCPZACOMTO-KXNHARMFSA-N 1 0 213.321 1.114 10 0 BDAERO C[C@@H]1C[C@@H]2[NH2+]C[C@H](C)S[C@@H]2[C@H](C)O1 ZINC000252179138 363194052 /nfs/dbraw/zinc/19/40/52/363194052.db2.gz SPHIJUAGPDQHTQ-SQQIUAQRSA-N 1 0 201.335 1.646 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)C1(SC)CCC1 ZINC000379354268 538105283 /nfs/dbraw/zinc/10/52/83/538105283.db2.gz HZOZFODHVSUBNX-RKDXNWHRSA-N 1 0 203.351 1.618 10 0 BDAERO C[C@H]1CCC[C@H](C[NH3+])N1C1CSC1 ZINC000307663077 352748239 /nfs/dbraw/zinc/74/82/39/352748239.db2.gz IKXWFDBYQSLAQG-DTWKUNHWSA-N 1 0 200.351 1.304 10 0 BDAERO CC(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000225351060 538105349 /nfs/dbraw/zinc/10/53/49/538105349.db2.gz CXMYPCQXPRHFHD-PWSUYJOCSA-N 1 0 207.273 1.508 10 0 BDAERO CCOC(=O)c1cccnc1NC[C@@H](C)C[NH3+] ZINC000420222545 192177230 /nfs/dbraw/zinc/17/72/30/192177230.db2.gz XMRNBYSKYVZOTJ-VIFPVBQESA-N 1 0 237.303 1.265 10 0 BDAERO Cn1cnnc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336693041 180794815 /nfs/dbraw/zinc/79/48/15/180794815.db2.gz KYOQPEYJZKNDII-VHSXEESVSA-N 1 0 226.299 1.433 10 0 BDAERO C[C@H](NC1=[NH+]C[C@@H](C)N1)c1nccs1 ZINC000307692018 352937850 /nfs/dbraw/zinc/93/78/50/352937850.db2.gz QQFVIVRWPZTCBL-RQJHMYQMSA-N 1 0 210.306 1.141 10 0 BDAERO C[N@H+](CCc1ccccn1)[C@H]1CCC[C@@H]1O ZINC000037489997 358473909 /nfs/dbraw/zinc/47/39/09/358473909.db2.gz GWNWSMCIWOFIGE-STQMWFEESA-N 1 0 220.316 1.469 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCC23CC3)C1 ZINC000638834398 353020248 /nfs/dbraw/zinc/02/02/48/353020248.db2.gz PBKQEOSJEYVNHF-GMTAPVOTSA-N 1 0 222.332 1.563 10 0 BDAERO Cc1ccccc1C[S@@](=O)C1C[NH2+]C1 ZINC000306593967 353028232 /nfs/dbraw/zinc/02/82/32/353028232.db2.gz JCBYWVWDMUCIML-CQSZACIVSA-N 1 0 209.314 1.216 10 0 BDAERO CNc1nnc(S[C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000306642660 353031340 /nfs/dbraw/zinc/03/13/40/353031340.db2.gz UJDQNGDTJHTNSV-NTSWFWBYSA-N 1 0 230.362 1.552 10 0 BDAERO C[C@](CCC[NH3+])([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000307702318 353008183 /nfs/dbraw/zinc/00/81/83/353008183.db2.gz UAJLWBVRAHIEIC-CYBMUJFWSA-N 1 0 236.315 1.358 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCC12CC2 ZINC000638834226 353009025 /nfs/dbraw/zinc/00/90/25/353009025.db2.gz NLPNZLUBIWOFSL-QJPTWQEYSA-N 1 0 236.359 1.810 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCC12CC2 ZINC000638834228 353009736 /nfs/dbraw/zinc/00/97/36/353009736.db2.gz NLPNZLUBIWOFSL-SRVKXCTJSA-N 1 0 236.359 1.810 10 0 BDAERO C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1C[NH3+] ZINC000638900917 353062973 /nfs/dbraw/zinc/06/29/73/353062973.db2.gz IGHHMYSIKRATEP-MEBFFEOJSA-N 1 0 248.370 1.642 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H](Nc2nncs2)C1 ZINC000307256780 353063746 /nfs/dbraw/zinc/06/37/46/353063746.db2.gz AUSYOIOHEHUVGF-JGVFFNPUSA-N 1 0 212.322 1.468 10 0 BDAERO C[C@@H]1CN(C(=O)c2ccsc2)C[C@@H]1C[NH3+] ZINC000638887834 353049484 /nfs/dbraw/zinc/04/94/84/353049484.db2.gz PUVIEGIZIYUMNF-SCZZXKLOSA-N 1 0 224.329 1.415 10 0 BDAERO Cc1occc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638887881 353049555 /nfs/dbraw/zinc/04/95/55/353049555.db2.gz QRQCHWRZYLZSSO-WCBMZHEXSA-N 1 0 222.288 1.255 10 0 BDAERO C[C@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@@H]1C[NH3+] ZINC000638888129 353049618 /nfs/dbraw/zinc/04/96/18/353049618.db2.gz MWRFPWBDJOIALP-UWVGGRQHSA-N 1 0 238.375 1.722 10 0 BDAERO C[C@H](C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000638889094 353050836 /nfs/dbraw/zinc/05/08/36/353050836.db2.gz CTYPRYPAJGBZHS-OBJOEFQTSA-N 1 0 246.354 1.843 10 0 BDAERO C[C@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C[NH3+] ZINC000638885556 353052782 /nfs/dbraw/zinc/05/27/82/353052782.db2.gz OAQYOBULWONUMH-VHSXEESVSA-N 1 0 212.337 1.476 10 0 BDAERO Cc1ccc(C)c(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000638885908 353052785 /nfs/dbraw/zinc/05/27/85/353052785.db2.gz OUXQHUUNKBULSL-QWHCGFSZSA-N 1 0 246.354 1.970 10 0 BDAERO Cc1cccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000638886773 353053270 /nfs/dbraw/zinc/05/32/70/353053270.db2.gz SOSXJZNJMLREQN-AAEUAGOBSA-N 1 0 246.354 1.970 10 0 BDAERO CCCC[C@H](C)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638894092 353055212 /nfs/dbraw/zinc/05/52/12/353055212.db2.gz OUTNRORVZIGHPT-SDDRHHMPSA-N 1 0 226.364 1.866 10 0 BDAERO CCCC[C@H](C)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638894091 353055232 /nfs/dbraw/zinc/05/52/32/353055232.db2.gz OUTNRORVZIGHPT-QJPTWQEYSA-N 1 0 226.364 1.866 10 0 BDAERO C[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000638894880 353055961 /nfs/dbraw/zinc/05/59/61/353055961.db2.gz WWPYIOXOKCQDAK-CBAPKCEASA-N 1 0 232.274 1.085 10 0 BDAERO C[C@H]([NH3+])c1cncn1[C@@H]1CS[C@@H](C)C1 ZINC000307718396 353109071 /nfs/dbraw/zinc/10/90/71/353109071.db2.gz OZNBLSHIZIUCKM-CIUDSAMLSA-N 1 0 211.334 1.969 10 0 BDAERO C[C@@H]1CSC[C@@H]1N(C)[C@@H]1CC[NH2+]C1 ZINC000307718809 353109501 /nfs/dbraw/zinc/10/95/01/353109501.db2.gz LYJNNWZMBHUSBA-BBBLOLIVSA-N 1 0 200.351 1.032 10 0 BDAERO C[NH2+][C@@H](CC(C)C)CN1CCC[C@@H]1CO ZINC000140141157 353114429 /nfs/dbraw/zinc/11/44/29/353114429.db2.gz WFEJKSLMJICYST-NWDGAFQWSA-N 1 0 214.353 1.077 10 0 BDAERO CC1([C@@H]([NH3+])Cc2csnn2)CCCC1 ZINC000307705592 353097542 /nfs/dbraw/zinc/09/75/42/353097542.db2.gz YTCISFTWPWGMHE-VIFPVBQESA-N 1 0 211.334 1.988 10 0 BDAERO C[C@@H](C[NH3+])CN=c1[nH]c2ccccc2n1C ZINC000420223000 192178300 /nfs/dbraw/zinc/17/83/00/192178300.db2.gz ZABUBOVPBUPWQO-VIFPVBQESA-N 1 0 218.304 1.002 10 0 BDAERO C[C@@H]1COCC[C@@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307749357 353126585 /nfs/dbraw/zinc/12/65/85/353126585.db2.gz GIQHJXMOQPJUEC-YPMHNXCESA-N 1 0 247.342 1.726 10 0 BDAERO [NH3+][C@H]1CC(=O)N(c2ccsc2Cl)C1 ZINC000307737047 353120566 /nfs/dbraw/zinc/12/05/66/353120566.db2.gz UBLCBMXHZFUVGD-YFKPBYRVSA-N 1 0 216.693 1.466 10 0 BDAERO C[C@@H]1OCC[C@]1(C[NH3+])[C@H]1CCSC1 ZINC000405205976 353143181 /nfs/dbraw/zinc/14/31/81/353143181.db2.gz AFRCQNPIDXPQSR-LPEHRKFASA-N 1 0 201.335 1.493 10 0 BDAERO CCc1nc(CC[NH2+][C@@H](C)C2CCC2)no1 ZINC000336755807 353150025 /nfs/dbraw/zinc/15/00/25/353150025.db2.gz GLYXCRMDOLCFOX-VIFPVBQESA-N 1 0 223.320 1.953 10 0 BDAERO C[NH2+][C@@H]1CSC[C@H]1[C@@H]1CCSC1 ZINC000405254782 353151903 /nfs/dbraw/zinc/15/19/03/353151903.db2.gz KCEGRLZHKGFEHQ-HRDYMLBCSA-N 1 0 203.376 1.691 10 0 BDAERO Cc1nnc2n1C[C@@H]([NH2+]CC1(C)CC1)CC2 ZINC000381403876 538109689 /nfs/dbraw/zinc/10/96/89/538109689.db2.gz RVUSHACKOSWBGG-JTQLQIEISA-N 1 0 220.320 1.291 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@]23C[C@H]2CCCC3)C1 ZINC000638974637 353179967 /nfs/dbraw/zinc/17/99/67/353179967.db2.gz STWRSEYIGHQXAH-FMCLSXCISA-N 1 0 236.359 1.953 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000638974592 353180073 /nfs/dbraw/zinc/18/00/73/353180073.db2.gz SGVSTDTWTYOGRZ-XZUYRWCXSA-N 1 0 222.332 1.291 10 0 BDAERO FC(F)(F)[C@@]1(c2nncn2C2CC2)CC[NH2+]C1 ZINC000104194222 180889099 /nfs/dbraw/zinc/88/90/99/180889099.db2.gz DXCMIGNFVUUITP-VIFPVBQESA-N 1 0 246.236 1.406 10 0 BDAERO C[NH2+]C[C@](C)(O)c1ccc(Br)o1 ZINC000127984054 353279428 /nfs/dbraw/zinc/27/94/28/353279428.db2.gz CWFGIDYAVCUPLZ-QMMMGPOBSA-N 1 0 234.093 1.469 10 0 BDAERO C[C@@H]1CN(C/C(Cl)=C\Cl)C[C@@H]1[NH3+] ZINC000307942384 353274250 /nfs/dbraw/zinc/27/42/50/353274250.db2.gz PISAOTZGNOATPK-JQYRXWNASA-N 1 0 209.120 1.584 10 0 BDAERO [NH3+]Cc1cnc(C[C@H]2CCCCO2)s1 ZINC000129051656 353308451 /nfs/dbraw/zinc/30/84/51/353308451.db2.gz JMIIFWDGULOQCS-MRVPVSSYSA-N 1 0 212.318 1.713 10 0 BDAERO C[C@H]([NH3+])C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000165350021 353308464 /nfs/dbraw/zinc/30/84/64/353308464.db2.gz GYGYKRDZIWVGKG-VIFPVBQESA-N 1 0 244.298 1.373 10 0 BDAERO O[C@@H](c1ncc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000223194321 353339201 /nfs/dbraw/zinc/33/92/01/353339201.db2.gz GUFRCWZUIXTBGD-CAHLUQPWSA-N 1 0 218.709 1.582 10 0 BDAERO CC[C@@H]1C[NH+]=C(N[C@H]2CCOC2)S1 ZINC000230009796 353421084 /nfs/dbraw/zinc/42/10/84/353421084.db2.gz ZMWONTMIYHCGML-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO [NH3+]CC[C@H](O)c1sncc1Br ZINC000217011214 538117728 /nfs/dbraw/zinc/11/77/28/538117728.db2.gz QYACOCGHVDQWTC-YFKPBYRVSA-N 1 0 237.122 1.288 10 0 BDAERO CN1CCO[C@@H](C[NH2+]C2CC3(CCC3)C2)C1 ZINC000334511190 353494499 /nfs/dbraw/zinc/49/44/99/353494499.db2.gz KHEFKFKVGFBFJF-LBPRGKRZSA-N 1 0 224.348 1.239 10 0 BDAERO Fc1ccc(F)c(C[C@H]2C[NH2+]CCN2)c1 ZINC000095750850 180975282 /nfs/dbraw/zinc/97/52/82/180975282.db2.gz KMILWZSOMDFKSW-JTQLQIEISA-N 1 0 212.243 1.069 10 0 BDAERO C(C[NH2+]C[C@@H]1CCOC1)COC[C@H]1CCCO1 ZINC000020146798 188462328 /nfs/dbraw/zinc/46/23/28/188462328.db2.gz TZYIZGFILPIAER-QWHCGFSZSA-N 1 0 243.347 1.198 10 0 BDAERO Cc1ccc2c(c1)C[C@H](CN1CC[NH2+]CC1)O2 ZINC000020221791 188462725 /nfs/dbraw/zinc/46/27/25/188462725.db2.gz NYNZOAWBEUNMAP-CYBMUJFWSA-N 1 0 232.327 1.204 10 0 BDAERO C(CN1CCCCC1)[NH2+]C[C@@H]1CCCO1 ZINC000041226401 188476053 /nfs/dbraw/zinc/47/60/53/188476053.db2.gz OSNYZGLSCDKFBL-LBPRGKRZSA-N 1 0 212.337 1.241 10 0 BDAERO C[NH2+]Cc1ccc(N(C)[C@H]2CCSC2)nc1 ZINC000051442220 188482297 /nfs/dbraw/zinc/48/22/97/188482297.db2.gz AVSNAWFMRYTBIP-NSHDSACASA-N 1 0 237.372 1.743 10 0 BDAERO CC(C)[C@@H]1CN(C/C=C/Cl)CC[NH2+]1 ZINC000232730160 353755379 /nfs/dbraw/zinc/75/53/79/353755379.db2.gz RLROAKACZQCYLS-FSIBCCDJSA-N 1 0 202.729 1.669 10 0 BDAERO CC(C)CNC(=O)[C@H](CC[NH3+])c1cccnc1 ZINC000076618025 188492924 /nfs/dbraw/zinc/49/29/24/188492924.db2.gz XJFFYUJZFDHNBI-GFCCVEGCSA-N 1 0 235.331 1.286 10 0 BDAERO C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C ZINC000129593283 353738764 /nfs/dbraw/zinc/73/87/64/353738764.db2.gz GKRKYGYATPRCTO-AAEUAGOBSA-N 1 0 204.317 1.869 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000086004506 491056070 /nfs/dbraw/zinc/05/60/70/491056070.db2.gz UGJQZAYPHXSMOD-JQWIXIFHSA-N 1 0 212.337 1.095 10 0 BDAERO Fc1cnc(OCCCC2CC[NH2+]CC2)nc1 ZINC000095072044 181018549 /nfs/dbraw/zinc/01/85/49/181018549.db2.gz MQXSDZCBQRLHSB-UHFFFAOYSA-N 1 0 239.294 1.774 10 0 BDAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](O)c1ccco1 ZINC000103324966 188504393 /nfs/dbraw/zinc/50/43/93/188504393.db2.gz WRBNTLCDUITSMA-NWDGAFQWSA-N 1 0 240.347 1.489 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CN(CC)CCO1)C(C)C ZINC000086004573 491056098 /nfs/dbraw/zinc/05/60/98/491056098.db2.gz MCUNSXQVEDKIMH-CHWSQXEVSA-N 1 0 228.380 1.731 10 0 BDAERO C/C(=C/Cl)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000308105954 353884443 /nfs/dbraw/zinc/88/44/43/353884443.db2.gz GOBPGCWLTXNGGG-NOQGZOHOSA-N 1 0 202.729 1.811 10 0 BDAERO C/C(=C/Cl)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000308105951 353884760 /nfs/dbraw/zinc/88/47/60/353884760.db2.gz GOBPGCWLTXNGGG-BBYBGLFNSA-N 1 0 202.729 1.811 10 0 BDAERO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000300859111 188530213 /nfs/dbraw/zinc/53/02/13/188530213.db2.gz GFZNEOBUGSJZTF-QWHCGFSZSA-N 1 0 228.380 1.589 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1S(=O)(=O)C(C)(C)C ZINC000252469731 363283756 /nfs/dbraw/zinc/28/37/56/363283756.db2.gz XAUZRKZMZHYUBZ-IWSPIJDZSA-N 1 0 219.350 1.326 10 0 BDAERO C[C@H]1[NH+]=C(NCCF)Nc2ccccc21 ZINC000029131394 188538344 /nfs/dbraw/zinc/53/83/44/188538344.db2.gz UZSAYDHYDZCAOM-MRVPVSSYSA-N 1 0 207.252 1.897 10 0 BDAERO CO[C@H]1CN(Cc2ccns2)[C@](C)(C[NH3+])C1 ZINC000630079758 363290932 /nfs/dbraw/zinc/29/09/32/363290932.db2.gz ZSUWUZDRTMNNBV-KOLCDFICSA-N 1 0 241.360 1.081 10 0 BDAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ncc(Cl)n1C ZINC000301000277 363287035 /nfs/dbraw/zinc/28/70/35/363287035.db2.gz KMXDTCGNWAOBGG-JGVFFNPUSA-N 1 0 217.700 1.090 10 0 BDAERO CC(C)=CC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000231467226 363344236 /nfs/dbraw/zinc/34/42/36/363344236.db2.gz LZVHTXRDUHXWAR-LLVKDONJSA-N 1 0 210.321 1.553 10 0 BDAERO Cc1occc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113226529 354270430 /nfs/dbraw/zinc/27/04/30/354270430.db2.gz DJCXPDIQOSFXHV-CMPLNLGQSA-N 1 0 248.326 1.897 10 0 BDAERO CCCc1nccnc1NCC[C@H](C)[NH3+] ZINC000622011132 370662286 /nfs/dbraw/zinc/66/22/86/370662286.db2.gz PMBXZUJQYMCTEW-VIFPVBQESA-N 1 0 208.309 1.578 10 0 BDAERO CCN(CC)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113305967 354651925 /nfs/dbraw/zinc/65/19/25/354651925.db2.gz OECOSYXDFLYVOO-NWDGAFQWSA-N 1 0 239.363 1.617 10 0 BDAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccns1 ZINC000639227175 355059512 /nfs/dbraw/zinc/05/95/12/355059512.db2.gz IICXCFKBYSIDGL-WCBMZHEXSA-N 1 0 212.318 1.488 10 0 BDAERO CCCCC[C@H](C)NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040632184 168743323 /nfs/dbraw/zinc/74/33/23/168743323.db2.gz GLIVWTHOQBANND-SDDRHHMPSA-N 1 0 242.363 1.448 10 0 BDAERO CC(C)c1nccnc1NCC1([NH+](C)C)CCC1 ZINC000413252557 191366898 /nfs/dbraw/zinc/36/68/98/191366898.db2.gz XBWNDBJCDIXPPH-UHFFFAOYSA-N 1 0 248.374 1.918 10 0 BDAERO CCn1ccnc1CNc1nccnc1C(C)C ZINC000413312160 191371510 /nfs/dbraw/zinc/37/15/10/191371510.db2.gz JKBBMTXUTWKGFB-UHFFFAOYSA-N 1 0 245.330 1.850 10 0 BDAERO N[NH+]=C(N)Cc1cccc(C(F)(F)F)c1 ZINC000075932090 181185132 /nfs/dbraw/zinc/18/51/32/181185132.db2.gz JSZIJHRCJONIKT-UHFFFAOYSA-N 1 0 217.194 1.688 10 0 BDAERO NC(=[NH2+])CCCOCCOc1ccccc1 ZINC000019515262 181186956 /nfs/dbraw/zinc/18/69/56/181186956.db2.gz YQAOFCPWCFPVAG-UHFFFAOYSA-N 1 0 222.288 1.798 10 0 BDAERO [NH2+]=C(Cc1nc2ccccc2[nH]1)N1CCOCC1 ZINC000104335167 181185384 /nfs/dbraw/zinc/18/53/84/181185384.db2.gz TVIVHPCOPBQHBU-UHFFFAOYSA-N 1 0 244.298 1.415 10 0 BDAERO NC(=[NH2+])c1cc(N(CCO)C2CCCC2)ccn1 ZINC000061814272 181193883 /nfs/dbraw/zinc/19/38/83/181193883.db2.gz GYWSABGYPHAZMN-UHFFFAOYSA-N 1 0 248.330 1.107 10 0 BDAERO NC(=[NH2+])c1cc(OC[C@H]2CCCCO2)ccn1 ZINC000061814532 181193540 /nfs/dbraw/zinc/19/35/40/181193540.db2.gz IEWPTWVWTGFWFV-SNVBAGLBSA-N 1 0 235.287 1.314 10 0 BDAERO NC(=[NH2+])c1cc(Oc2cccnc2)ccn1 ZINC000061814593 181194153 /nfs/dbraw/zinc/19/41/53/181194153.db2.gz MBIPSJVUFGUSDA-UHFFFAOYSA-N 1 0 214.228 1.553 10 0 BDAERO NC(=[NH2+])c1ccc(OCc2ccccc2)nc1 ZINC000019508056 181195155 /nfs/dbraw/zinc/19/51/55/181195155.db2.gz PGNOQMLHBJTLTB-UHFFFAOYSA-N 1 0 227.267 1.945 10 0 BDAERO NC(=[NH2+])c1ccccc1OCCn1cccn1 ZINC000049314698 181196607 /nfs/dbraw/zinc/19/66/07/181196607.db2.gz MYOJJZYOXBFXBO-UHFFFAOYSA-N 1 0 230.271 1.246 10 0 BDAERO C[C@@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000389037244 355512209 /nfs/dbraw/zinc/51/22/09/355512209.db2.gz PYYVJFUFSNVGQF-WYUUTHIRSA-N 1 0 240.347 1.045 10 0 BDAERO NC(=[NH2+])c1cnc(-c2ccncc2)s1 ZINC000059491376 181197730 /nfs/dbraw/zinc/19/77/30/181197730.db2.gz IYFJFKBVJUPSMD-UHFFFAOYSA-N 1 0 204.258 1.489 10 0 BDAERO NC(=O)C1CCN(C(=[NH2+])Nc2ccccc2)CC1 ZINC000052045142 181200291 /nfs/dbraw/zinc/20/02/91/181200291.db2.gz ASXVFAWSZMNQGT-UHFFFAOYSA-N 1 0 246.314 1.231 10 0 BDAERO CC[C@@H](C[NH3+])N1C[C@@H](C)OC(C)(C)C1 ZINC000223362543 355773934 /nfs/dbraw/zinc/77/39/34/355773934.db2.gz QCHAGPQWLKQHFT-ZJUUUORDSA-N 1 0 200.326 1.223 10 0 BDAERO OCC1CC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000639335240 355767353 /nfs/dbraw/zinc/76/73/53/355767353.db2.gz OLDJLNYREJSHQP-NQLXBKOGSA-N 1 0 209.333 1.783 10 0 BDAERO CCN(C(=O)[C@H](C)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000399145260 355768361 /nfs/dbraw/zinc/76/83/61/355768361.db2.gz HJNALSALVPZZIS-WDEREUQCSA-N 1 0 226.364 1.879 10 0 BDAERO CCn1cc([C@@H](C)[NH2+][C@H]2CCN(CC)C2)cn1 ZINC000389148980 355731600 /nfs/dbraw/zinc/73/16/00/355731600.db2.gz IYYCBWKSHASQFR-YPMHNXCESA-N 1 0 236.363 1.648 10 0 BDAERO NC(=O)C1([NH2+]CC2CC2)CCCCCCC1 ZINC000037947149 181213556 /nfs/dbraw/zinc/21/35/56/181213556.db2.gz SXKTYUWLBLDTHX-UHFFFAOYSA-N 1 0 224.348 1.954 10 0 BDAERO NC(=O)C1([NH2+]C[C@@H]2CCCO2)CCCCCC1 ZINC000037943006 181214480 /nfs/dbraw/zinc/21/44/80/181214480.db2.gz IQQJGLOQHWOAHN-NSHDSACASA-N 1 0 240.347 1.333 10 0 BDAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)c2ccc(C)cc2)C1 ZINC000191885876 355860578 /nfs/dbraw/zinc/86/05/78/355860578.db2.gz ICZMIFWFJCLGJD-QWHCGFSZSA-N 1 0 248.326 1.335 10 0 BDAERO [NH3+]C1CCC(C(=O)Cc2nccs2)CC1 ZINC000168503098 355862474 /nfs/dbraw/zinc/86/24/74/355862474.db2.gz XBHXMCDGLWSWTL-UHFFFAOYSA-N 1 0 224.329 1.772 10 0 BDAERO C1C[NH2+][C@@H](c2nc3c(s2)COCC3)C1 ZINC000053251477 355872151 /nfs/dbraw/zinc/87/21/51/355872151.db2.gz VGGRBGJRPRJBTE-MRVPVSSYSA-N 1 0 210.302 1.640 10 0 BDAERO C[C@H]1C[C@H]1C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167383772 355986541 /nfs/dbraw/zinc/98/65/41/355986541.db2.gz XKRWBRLEQBZIEW-GXSJLCMTSA-N 1 0 230.311 1.927 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2ccc(COC)o2)C1 ZINC000389283978 355946229 /nfs/dbraw/zinc/94/62/29/355946229.db2.gz VLEYCYMVCRUWMA-LLVKDONJSA-N 1 0 238.331 1.610 10 0 BDAERO NC(=O)CCC[NH2+]Cc1c[nH]c2ccccc12 ZINC000051754245 181223374 /nfs/dbraw/zinc/22/33/74/181223374.db2.gz ZLOOYAIEXBOFMV-UHFFFAOYSA-N 1 0 231.299 1.523 10 0 BDAERO NC(=O)CNCc1c(F)cccc1Cl ZINC000022222868 181235816 /nfs/dbraw/zinc/23/58/16/181235816.db2.gz NXKDVMDUERWEMV-UHFFFAOYSA-N 1 0 216.643 1.054 10 0 BDAERO NC(=O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000019515715 181236546 /nfs/dbraw/zinc/23/65/46/181236546.db2.gz FKGTWRBLUUSMLL-LLVKDONJSA-N 1 0 204.273 1.139 10 0 BDAERO CC1CC(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)C1 ZINC000379467754 358500439 /nfs/dbraw/zinc/50/04/39/358500439.db2.gz YVPHTEFXCGMRLG-LIZLNQBYSA-N 1 0 210.321 1.241 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC12CC2 ZINC000422867069 192492467 /nfs/dbraw/zinc/49/24/67/192492467.db2.gz RNLHBCRBJARCAF-GUBZILKMSA-N 1 0 208.305 1.030 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCCC1)c1ccc(O)cc1 ZINC000037969759 181264495 /nfs/dbraw/zinc/26/44/95/181264495.db2.gz QMUDEEBBDVTHIC-ZDUSSCGKSA-N 1 0 248.326 1.841 10 0 BDAERO NC(=O)[C@@H]([NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000037942952 181264502 /nfs/dbraw/zinc/26/45/02/181264502.db2.gz WHRYSALWTBRSAJ-NEPJUHHUSA-N 1 0 240.347 1.189 10 0 BDAERO NC(=O)[C@@H]([NH2+]C1CCCCCC1)[C@@H]1CCOC1 ZINC000037970515 181265047 /nfs/dbraw/zinc/26/50/47/181265047.db2.gz NYZJGLDMDVBSAT-PWSUYJOCSA-N 1 0 240.347 1.189 10 0 BDAERO CC(C)OCCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420354174 192218823 /nfs/dbraw/zinc/21/88/23/192218823.db2.gz BOXXJTNZILQNOO-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO NC(=O)[C@@]1([NH2+]CC2CC2)CCc2ccccc2C1 ZINC000037947219 181275793 /nfs/dbraw/zinc/27/57/93/181275793.db2.gz NLCMBOHUIJLXFP-OAHLLOKOSA-N 1 0 244.338 1.399 10 0 BDAERO Cn1ncc([C@@H]2CCC[NH2+]2)c1Br ZINC000216663527 356440569 /nfs/dbraw/zinc/44/05/69/356440569.db2.gz IBTIHBMBKADCNA-ZETCQYMHSA-N 1 0 230.109 1.607 10 0 BDAERO [NH3+]C[C@@H]1CCCN(CC(=O)c2ccccc2)C1 ZINC000145360284 356481374 /nfs/dbraw/zinc/48/13/74/356481374.db2.gz RPUGQAUNSGKTRG-LBPRGKRZSA-N 1 0 232.327 1.540 10 0 BDAERO C[C@@H]([NH3+])C(=O)c1cncc2ccccc21 ZINC000167963504 356489061 /nfs/dbraw/zinc/48/90/61/356489061.db2.gz IZOIQBSMENPSAQ-MRVPVSSYSA-N 1 0 200.241 1.765 10 0 BDAERO COc1cccnc1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000630091491 363509869 /nfs/dbraw/zinc/50/98/69/363509869.db2.gz HILCHVDEEPNSKK-VHSXEESVSA-N 1 0 221.304 1.643 10 0 BDAERO [NH3+]CC[C@H](O)c1ccc(Br)cn1 ZINC000083329144 538468911 /nfs/dbraw/zinc/46/89/11/538468911.db2.gz ZFJMIYMAZYZIBR-QMMMGPOBSA-N 1 0 231.093 1.226 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2O)sn1 ZINC000380326434 538466054 /nfs/dbraw/zinc/46/60/54/538466054.db2.gz MGOHESNBZRGKSV-WDEREUQCSA-N 1 0 226.345 1.845 10 0 BDAERO CCCC(=O)NC[C@@H]1[NH2+]CCOc2ccccc21 ZINC000675057489 538479871 /nfs/dbraw/zinc/47/98/71/538479871.db2.gz DAXTWUJKMLNAJP-LBPRGKRZSA-N 1 0 248.326 1.626 10 0 BDAERO COc1ccccc1[C@H]1CC[C@H](C[NH3+])OC1 ZINC000675058575 538482300 /nfs/dbraw/zinc/48/23/00/538482300.db2.gz MGCSGYVIERNCJR-WDEREUQCSA-N 1 0 221.300 1.917 10 0 BDAERO CCC[C@@]1(C[NH3+])CN(C(=O)C(C)(C)C)CCO1 ZINC000675059085 538482808 /nfs/dbraw/zinc/48/28/08/538482808.db2.gz JWZAFWWGJYBLPC-CYBMUJFWSA-N 1 0 242.363 1.389 10 0 BDAERO CCC[C@]1(CNC(=O)C2CCC2)C[NH2+]CCO1 ZINC000675059148 538483183 /nfs/dbraw/zinc/48/31/83/538483183.db2.gz LUIHOPYXEFLMSV-CYBMUJFWSA-N 1 0 240.347 1.061 10 0 BDAERO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CC[C@H](CO)O1 ZINC000675059299 538483252 /nfs/dbraw/zinc/48/32/52/538483252.db2.gz NELPPYMVPDZJGF-ZDEQEGDKSA-N 1 0 227.348 1.789 10 0 BDAERO C[NH2+]CCc1csc(-c2ccnnc2)n1 ZINC000675051044 538473484 /nfs/dbraw/zinc/47/34/84/538473484.db2.gz HGWSDGOOHOFECL-UHFFFAOYSA-N 1 0 220.301 1.362 10 0 BDAERO C[NH2+]CC[C@H](NC(=O)OC(C)(C)C)C(F)F ZINC000675051547 538475139 /nfs/dbraw/zinc/47/51/39/538475139.db2.gz UXXBLJGQJXVBHG-ZETCQYMHSA-N 1 0 238.278 1.754 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCCN(CCO)C2)o1 ZINC000384398997 356640246 /nfs/dbraw/zinc/64/02/46/356640246.db2.gz CCRBQPULWSXWSF-LBPRGKRZSA-N 1 0 238.331 1.134 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CC([NH2+]C2CCC2)C1 ZINC000675055532 538475717 /nfs/dbraw/zinc/47/57/17/538475717.db2.gz VAWLYOXSQZEOJI-SNVBAGLBSA-N 1 0 224.348 1.631 10 0 BDAERO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CO)o1 ZINC000675056156 538477541 /nfs/dbraw/zinc/47/75/41/538477541.db2.gz FEBCUSCWNJSCQZ-RKDXNWHRSA-N 1 0 213.277 1.710 10 0 BDAERO CC(C)(C)OC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000675056132 538477787 /nfs/dbraw/zinc/47/77/87/538477787.db2.gz DCZMPKKLVDZTBO-MRVPVSSYSA-N 1 0 237.303 1.442 10 0 BDAERO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CO)o1 ZINC000675056154 538477798 /nfs/dbraw/zinc/47/77/98/538477798.db2.gz FEBCUSCWNJSCQZ-DTWKUNHWSA-N 1 0 213.277 1.710 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@@]1(CC)C[NH2+]CCO1 ZINC000675059665 538485031 /nfs/dbraw/zinc/48/50/31/538485031.db2.gz TWYHIRRZJNKGPM-WCQYABFASA-N 1 0 242.363 1.307 10 0 BDAERO CCC[C@@]1(C[NH3+])CN(C(=O)C2CCC2)CCO1 ZINC000675059620 538485207 /nfs/dbraw/zinc/48/52/07/538485207.db2.gz SMAIZQGIKYKUTG-CYBMUJFWSA-N 1 0 240.347 1.143 10 0 BDAERO CCC[C@H](C)C(=O)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675068605 538496935 /nfs/dbraw/zinc/49/69/35/538496935.db2.gz BXNBHDAMSBCVOW-DMDPSCGWSA-N 1 0 224.348 1.681 10 0 BDAERO CC(C)(C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675069909 538499165 /nfs/dbraw/zinc/49/91/65/538499165.db2.gz JMWNATQVNGGQCM-XWLWVQCSSA-N 1 0 224.348 1.522 10 0 BDAERO CC(C)[C@H]([NH3+])CNc1ncc(Cl)cn1 ZINC000168063365 134155599 /nfs/dbraw/zinc/15/55/99/134155599.db2.gz HSQRBUWYOQIGAQ-MRVPVSSYSA-N 1 0 214.700 1.525 10 0 BDAERO O=C(CC1CC1)NC[C@]12C[C@H]1CCC[NH2+]2 ZINC000675070342 538501283 /nfs/dbraw/zinc/50/12/83/538501283.db2.gz OQJXDLZQGUDYBI-ZYHUDNBSSA-N 1 0 208.305 1.045 10 0 BDAERO CC(C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]12 ZINC000675070498 538501828 /nfs/dbraw/zinc/50/18/28/538501828.db2.gz OSOXVFWSZZFZIY-XWLWVQCSSA-N 1 0 210.321 1.132 10 0 BDAERO CC(C)[C@H](C)C(=O)NC[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000675071258 538502874 /nfs/dbraw/zinc/50/28/74/538502874.db2.gz ZHHCMCRJLCBYKY-CKIKVBCHSA-N 1 0 238.375 1.768 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000163005433 202141967 /nfs/dbraw/zinc/14/19/67/202141967.db2.gz IIRQQBLANPYIJQ-LBPRGKRZSA-N 1 0 228.380 1.564 10 0 BDAERO CC(C)(C)NC(=O)Nc1nc(C[NH3+])cs1 ZINC000675072817 538504383 /nfs/dbraw/zinc/50/43/83/538504383.db2.gz IDZILNCDPAUFBE-UHFFFAOYSA-N 1 0 228.321 1.522 10 0 BDAERO O[C@H]1C=C(C[C@@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076623 538510932 /nfs/dbraw/zinc/51/09/32/538510932.db2.gz FEPHHOSVVIFSII-WPRPVWTQSA-N 1 0 217.259 1.702 10 0 BDAERO CC(C)NC(=O)N[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@@H]12 ZINC000675069443 538498103 /nfs/dbraw/zinc/49/81/03/538498103.db2.gz HNMGIANVSWINLO-UKKRHICBSA-N 1 0 225.336 1.067 10 0 BDAERO O[C@H]1C=C(Cc2sccc2Cl)C[NH2+]C1 ZINC000675077505 538513367 /nfs/dbraw/zinc/51/33/67/538513367.db2.gz NLSLVBVLRKPOMX-QMMMGPOBSA-N 1 0 229.732 1.835 10 0 BDAERO N[C@H]1C=C(Cc2ccc(F)cc2)C[NH2+]C1 ZINC000675077595 538514237 /nfs/dbraw/zinc/51/42/37/538514237.db2.gz GIGKTJVXNFERRW-LBPRGKRZSA-N 1 0 206.264 1.225 10 0 BDAERO Cc1nc(CC2=C[C@H](N)C[NH2+]C2)c(C)s1 ZINC000675077771 538514273 /nfs/dbraw/zinc/51/42/73/538514273.db2.gz IJMXVJHEBIVVEJ-JTQLQIEISA-N 1 0 223.345 1.159 10 0 BDAERO [NH3+][C@@H]1C=C(c2c(F)cccc2F)CNC1 ZINC000675077655 538514322 /nfs/dbraw/zinc/51/43/22/538514322.db2.gz GYUXVFPUTKFUCS-MRVPVSSYSA-N 1 0 210.227 1.279 10 0 BDAERO O[C@@H]1C=C(c2c(F)cccc2Cl)C[NH2+]C1 ZINC000675078154 538515597 /nfs/dbraw/zinc/51/55/97/538515597.db2.gz WKKBCKRVZGPXEQ-MRVPVSSYSA-N 1 0 227.666 1.827 10 0 BDAERO O[C@@H]1C=C(c2cccc(Cl)c2)C[NH2+]C1 ZINC000675078615 538516388 /nfs/dbraw/zinc/51/63/88/538516388.db2.gz ZQVYJUSLDCYHRO-LLVKDONJSA-N 1 0 209.676 1.688 10 0 BDAERO N[C@@H]1C=C(CCC2CCOCC2)C[NH2+]C1 ZINC000675079483 538518526 /nfs/dbraw/zinc/51/85/26/538518526.db2.gz ZLFLRBDMPNRSQL-GFCCVEGCSA-N 1 0 210.321 1.050 10 0 BDAERO C[C@@]1(C2CCCC2)[NH2+]CCc2nc[nH]c21 ZINC000220146722 538536457 /nfs/dbraw/zinc/53/64/57/538536457.db2.gz DMLFBUVLCLQHQI-LBPRGKRZSA-N 1 0 205.305 1.961 10 0 BDAERO CCC[N@H+](CC)CCNCc1cnn(C)c1C ZINC000163045519 202153002 /nfs/dbraw/zinc/15/30/02/202153002.db2.gz AOSDBWAPLULDAO-UHFFFAOYSA-N 1 0 238.379 1.550 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000085915925 538548900 /nfs/dbraw/zinc/54/89/00/538548900.db2.gz BADAQHLPZTURKV-SECBINFHSA-N 1 0 248.095 1.970 10 0 BDAERO CC(C)(C[NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000085923488 538548972 /nfs/dbraw/zinc/54/89/72/538548972.db2.gz GIWFIGHQXOTLSQ-UHFFFAOYSA-N 1 0 229.320 1.020 10 0 BDAERO CC1(C)OC(C)(C)[C@@H]([C@@H]2CCC[NH2+]2)C1=O ZINC000086927041 538562100 /nfs/dbraw/zinc/56/21/00/538562100.db2.gz UOELZXYIJPEPBI-IUCAKERBSA-N 1 0 211.305 1.511 10 0 BDAERO O=C(C[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000086499797 538555882 /nfs/dbraw/zinc/55/58/82/538555882.db2.gz QWXDIVPHRKSLKD-QMMMGPOBSA-N 1 0 210.302 1.858 10 0 BDAERO COC(OC)C(=O)C[C@@H]1CCCCC[NH2+]1 ZINC000086499871 538556039 /nfs/dbraw/zinc/55/60/39/538556039.db2.gz BJRSXEYLPUOZLS-VIFPVBQESA-N 1 0 215.293 1.097 10 0 BDAERO CCOc1ccc(N2C[C@@H]([NH3+])CCC2=O)cc1 ZINC000084040905 538526668 /nfs/dbraw/zinc/52/66/68/538526668.db2.gz LSXROKFWKTVILY-JTQLQIEISA-N 1 0 234.299 1.539 10 0 BDAERO C[C@H]1C[NH2+]CC[C@H]1CNC(=O)C(C)(C)C ZINC000129800623 538578699 /nfs/dbraw/zinc/57/86/99/538578699.db2.gz XIKVBJSDNIENRH-UWVGGRQHSA-N 1 0 212.337 1.394 10 0 BDAERO C[C@@H]1CC[NH2+][C@H](CC(=O)C(F)(F)F)C1 ZINC000130342911 538587669 /nfs/dbraw/zinc/58/76/69/538587669.db2.gz MWLUNMZEMJUPMS-RQJHMYQMSA-N 1 0 209.211 1.896 10 0 BDAERO CCOC(=O)[C@H](C[NH3+])c1cccc(C)c1 ZINC000223162122 538592213 /nfs/dbraw/zinc/59/22/13/538592213.db2.gz RVZSIOLGVWXRJQ-LLVKDONJSA-N 1 0 207.273 1.600 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)c1ncc(Cl)s1 ZINC000223312566 538594140 /nfs/dbraw/zinc/59/41/40/538594140.db2.gz GUBHNSWRADLFFB-IYSWYEEDSA-N 1 0 220.725 1.815 10 0 BDAERO NC(=O)c1cc(Cl)ccc1O[C@@H]1CC[NH2+]C1 ZINC000052859361 181289261 /nfs/dbraw/zinc/28/92/61/181289261.db2.gz LQAFTOPGBPDOAM-MRVPVSSYSA-N 1 0 240.690 1.180 10 0 BDAERO [NH3+]CCc1cc(Br)cc2c1OCC2 ZINC000160448564 356978189 /nfs/dbraw/zinc/97/81/89/356978189.db2.gz SJYGOCLDNNXNBR-UHFFFAOYSA-N 1 0 242.116 1.885 10 0 BDAERO CC(C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000130779666 325087150 /nfs/dbraw/zinc/08/71/50/325087150.db2.gz BLJJBPROLHWLLE-MNOVXSKESA-N 1 0 227.352 1.423 10 0 BDAERO Cc1ccnc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389732746 357020972 /nfs/dbraw/zinc/02/09/72/357020972.db2.gz RNUCFNZFATZHFO-WPRPVWTQSA-N 1 0 206.293 1.195 10 0 BDAERO CC1CC(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000390638391 357109468 /nfs/dbraw/zinc/10/94/68/357109468.db2.gz MHNDIUOUHRXBCG-WYNUPADASA-N 1 0 210.321 1.228 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@](C)(O)COC ZINC000390454617 357093766 /nfs/dbraw/zinc/09/37/66/357093766.db2.gz CGGSVCPKGIGPIK-AGIUHOORSA-N 1 0 229.364 1.942 10 0 BDAERO C[C@@H]1CCN(c2nccs2)[C@H](C[NH3+])C1 ZINC000300036518 357173907 /nfs/dbraw/zinc/17/39/07/357173907.db2.gz CLMFQCUELUGBHO-BDAKNGLRSA-N 1 0 211.334 1.707 10 0 BDAERO C[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359484 357197232 /nfs/dbraw/zinc/19/72/32/357197232.db2.gz ZBGDDUHNVFHBRC-YFKPBYRVSA-N 1 0 210.664 1.854 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)c(F)c1 ZINC000631183282 357240386 /nfs/dbraw/zinc/24/03/86/357240386.db2.gz MMLFEZZVLFLWBN-STQMWFEESA-N 1 0 239.290 1.374 10 0 BDAERO Cc1nsc(N[C@](C)(C[NH3+])C(C)C)n1 ZINC000168755909 357218934 /nfs/dbraw/zinc/21/89/34/357218934.db2.gz IHEBSMAINAWNNS-SECBINFHSA-N 1 0 214.338 1.632 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1csnn1 ZINC000123437624 357227299 /nfs/dbraw/zinc/22/72/99/357227299.db2.gz QQXFPHPMCBFALN-LLVKDONJSA-N 1 0 240.376 1.454 10 0 BDAERO CN1CCSC[C@@H]1[C@H]([NH3+])C1CCC1 ZINC000300053997 357180167 /nfs/dbraw/zinc/18/01/67/357180167.db2.gz UXYVDAJLMOUQBI-NXEZZACHSA-N 1 0 200.351 1.161 10 0 BDAERO CC(C)(C)C[C@H](CO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000393527178 357286301 /nfs/dbraw/zinc/28/63/01/357286301.db2.gz TXLQRLARMPWSQT-GHMZBOCLSA-N 1 0 231.380 1.780 10 0 BDAERO C[C@H](O)CC(C)(C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000393587435 357288383 /nfs/dbraw/zinc/28/83/83/357288383.db2.gz BJEIHZIGTDPFKB-QWRGUYRKSA-N 1 0 231.380 1.780 10 0 BDAERO [NH3+][C@@H]1c2c(cc(Cl)cc2Cl)C[C@H]1O ZINC000039941447 491110710 /nfs/dbraw/zinc/11/07/10/491110710.db2.gz IJHKJZKBSPGVQB-APPZFPTMSA-N 1 0 218.083 1.910 10 0 BDAERO CC[C@@H](CCO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000393661370 357402497 /nfs/dbraw/zinc/40/24/97/357402497.db2.gz URRYVGQAGOFDHR-VHSXEESVSA-N 1 0 203.326 1.144 10 0 BDAERO CCOC(=O)c1sc(C)nc1[C@@H]1CC[NH2+]C1 ZINC000260269572 538843561 /nfs/dbraw/zinc/84/35/61/538843561.db2.gz RAAIRZCLLSTZJC-MRVPVSSYSA-N 1 0 240.328 1.705 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1CC(C)C ZINC000396787369 357483767 /nfs/dbraw/zinc/48/37/67/357483767.db2.gz VWSFHUGNEUUJHZ-MNOVXSKESA-N 1 0 212.337 1.631 10 0 BDAERO CC(C)(C)CCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188610017 357568327 /nfs/dbraw/zinc/56/83/27/357568327.db2.gz GGCZWUNXXTWQFQ-VHSXEESVSA-N 1 0 230.327 1.629 10 0 BDAERO C[C@@H]([NH3+])CCNc1ccc(Br)cn1 ZINC000063171791 357552530 /nfs/dbraw/zinc/55/25/30/357552530.db2.gz XZWYFPOTWATDFC-SSDOTTSWSA-N 1 0 244.136 1.993 10 0 BDAERO CCc1cnc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)s1 ZINC000188454357 357554591 /nfs/dbraw/zinc/55/45/91/357554591.db2.gz VWUWXZNDQAPYDH-POYBYMJQSA-N 1 0 243.307 1.344 10 0 BDAERO Cn1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 ZINC000230899201 357579046 /nfs/dbraw/zinc/57/90/46/357579046.db2.gz VGZDXIADKOKXSX-UPJWGTAASA-N 1 0 249.358 1.366 10 0 BDAERO Cc1csc(CN2CCCNC(=O)[C@H]2C)n1 ZINC000189077040 357602660 /nfs/dbraw/zinc/60/26/60/357602660.db2.gz VRGCKGGLRRERMD-SECBINFHSA-N 1 0 239.344 1.162 10 0 BDAERO C[C@@H]1C(=O)NCCC[N@H+]1CCc1ccccc1 ZINC000189102601 357615065 /nfs/dbraw/zinc/61/50/65/357615065.db2.gz ZBGRWKBTFBIVIM-GFCCVEGCSA-N 1 0 232.327 1.440 10 0 BDAERO CC1(C)C[C@@H]1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000231453627 357615711 /nfs/dbraw/zinc/61/57/11/357615711.db2.gz SPIOVOIPCJRALJ-CMPLNLGQSA-N 1 0 236.359 1.776 10 0 BDAERO CCOc1ccc([C@@H]2C[NH2+]C[C@@]2(C)N)cc1 ZINC000685946688 538887272 /nfs/dbraw/zinc/88/72/72/538887272.db2.gz USPLMUHGKRSOAU-QWHCGFSZSA-N 1 0 220.316 1.490 10 0 BDAERO CC[C@]1(N)C[NH2+]C[C@H]1c1ccc(F)c(C)c1 ZINC000685945861 538887364 /nfs/dbraw/zinc/88/73/64/538887364.db2.gz CSHWPQUDKURUSE-AAEUAGOBSA-N 1 0 222.307 1.928 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000685946019 538887619 /nfs/dbraw/zinc/88/76/19/538887619.db2.gz BUBQFXCVMXKKBX-CABZTGNLSA-N 1 0 210.321 1.372 10 0 BDAERO COc1cccc([C@@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685945973 538887671 /nfs/dbraw/zinc/88/76/71/538887671.db2.gz HVILWHJVLVCLTQ-NWDGAFQWSA-N 1 0 206.289 1.099 10 0 BDAERO C[C@]1(N)C[NH2+]C[C@H]1c1cc(F)cc(F)c1 ZINC000685946340 538888126 /nfs/dbraw/zinc/88/81/26/538888126.db2.gz PQIGHBNGZSEQAQ-QWRGUYRKSA-N 1 0 212.243 1.369 10 0 BDAERO CCC(C)(C)NC(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000685946358 538888187 /nfs/dbraw/zinc/88/81/87/538888187.db2.gz QTRSTHFKRJNTBZ-IUCAKERBSA-N 1 0 231.315 1.256 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000685947055 538888724 /nfs/dbraw/zinc/88/87/24/538888724.db2.gz ZSAIEFIAYQBLSM-CHWSQXEVSA-N 1 0 204.317 1.789 10 0 BDAERO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CCC1)C2 ZINC000685948604 538890874 /nfs/dbraw/zinc/89/08/74/538890874.db2.gz CMLKXWKJGROTRB-LSJOCFKGSA-N 1 0 208.305 1.125 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1[C@@H]1CCNC[C@H]1F ZINC000685948450 538891242 /nfs/dbraw/zinc/89/12/42/538891242.db2.gz OJWCJXJMDGOCAI-GMTAPVOTSA-N 1 0 200.301 1.561 10 0 BDAERO C[C@H](C(=O)NC1CC(C[NH3+])C1)C(C)(C)C ZINC000685948705 538891574 /nfs/dbraw/zinc/89/15/74/538891574.db2.gz DOUUZBLHMFDVDC-XNWIYYODSA-N 1 0 212.337 1.522 10 0 BDAERO O=C(N[C@@]12CC[NH2+][C@H]1CCCC2)C1CCC1 ZINC000685949515 538892322 /nfs/dbraw/zinc/89/23/22/538892322.db2.gz STJQTCGHWSOOAY-AAEUAGOBSA-N 1 0 222.332 1.577 10 0 BDAERO [NH3+][C@]12CCN(C(=O)CC3CC3)[C@@H]1CCCC2 ZINC000685949148 538892427 /nfs/dbraw/zinc/89/24/27/538892427.db2.gz KPEWQPDOJATUPU-DGCLKSJQSA-N 1 0 222.332 1.659 10 0 BDAERO CC(C)C(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685949891 538892898 /nfs/dbraw/zinc/89/28/98/538892898.db2.gz ZXLQOWHUHBMIMY-CMPLNLGQSA-N 1 0 210.321 1.433 10 0 BDAERO S=C1N=NC(C2C[NH2+]C2)N1C1CCCCC1 ZINC000685949745 538892921 /nfs/dbraw/zinc/89/29/21/538892921.db2.gz IRKOJLRMDXTLAT-UHFFFAOYSA-N 1 0 238.360 1.759 10 0 BDAERO CC(C)=CC[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000232632921 357669743 /nfs/dbraw/zinc/66/97/43/357669743.db2.gz HDDQQGSWNRQXAO-STQMWFEESA-N 1 0 225.332 1.880 10 0 BDAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnc(N(C)C)n1C ZINC000233410853 357723138 /nfs/dbraw/zinc/72/31/38/357723138.db2.gz FUSAFUDOXGIZRS-CMPLNLGQSA-N 1 0 236.363 1.764 10 0 BDAERO CCN(CC)CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000233430542 357723935 /nfs/dbraw/zinc/72/39/35/357723935.db2.gz KJEQXMYJMCKPEP-QWHCGFSZSA-N 1 0 226.364 1.485 10 0 BDAERO CCC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000190191414 357690947 /nfs/dbraw/zinc/69/09/47/357690947.db2.gz CFFAHMFMWMSTSA-QWHCGFSZSA-N 1 0 225.332 1.999 10 0 BDAERO Cc1c[nH+]ccc1N1CCC[C@H](n2cncn2)C1 ZINC000192573267 357844115 /nfs/dbraw/zinc/84/41/15/357844115.db2.gz YNSCRFNUMNJLSG-LBPRGKRZSA-N 1 0 243.314 1.823 10 0 BDAERO Nc1cc(CN2CCC[N@@H+](C3CC3)CC2)ccn1 ZINC000193322197 357876463 /nfs/dbraw/zinc/87/64/63/357876463.db2.gz LRSUVSBLEHNECO-UHFFFAOYSA-N 1 0 246.358 1.334 10 0 BDAERO C[C@H]1CN(CCCOCC(F)(F)F)C[C@@H]1[NH3+] ZINC000235594394 357881397 /nfs/dbraw/zinc/88/13/97/357881397.db2.gz LLXFFZCTDNISAI-IUCAKERBSA-N 1 0 240.269 1.234 10 0 BDAERO CCn1cc(C2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000192975008 357862987 /nfs/dbraw/zinc/86/29/87/357862987.db2.gz LQGLJAGMDRZFRI-LLVKDONJSA-N 1 0 237.347 1.463 10 0 BDAERO CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639941454 357952754 /nfs/dbraw/zinc/95/27/54/357952754.db2.gz XVEGGEXMBKJJPP-GHMZBOCLSA-N 1 0 242.363 1.136 10 0 BDAERO CC(C)n1ccc(CN2CC[C@@H](O)C[C@H]2C)n1 ZINC000639941052 357957612 /nfs/dbraw/zinc/95/76/12/357957612.db2.gz GTZMTWUZOVTOHX-DGCLKSJQSA-N 1 0 237.347 1.809 10 0 BDAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cnccn1 ZINC000070025440 491117446 /nfs/dbraw/zinc/11/74/46/491117446.db2.gz MAPBEQUQQAZYGW-QWRGUYRKSA-N 1 0 221.304 1.696 10 0 BDAERO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000219721167 358008054 /nfs/dbraw/zinc/00/80/54/358008054.db2.gz AHZDHAVDNYIJRP-JHJVBQTASA-N 1 0 228.380 1.610 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCNC2=O)s1 ZINC000307420817 491118499 /nfs/dbraw/zinc/11/84/99/491118499.db2.gz HNVMWUADNXDOGE-SECBINFHSA-N 1 0 210.302 1.035 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CCc2ccccc2CC1 ZINC000079572643 358106488 /nfs/dbraw/zinc/10/64/88/358106488.db2.gz FKRIUYBDYOJNNH-CQSZACIVSA-N 1 0 244.338 1.223 10 0 BDAERO CSCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000171633130 134257107 /nfs/dbraw/zinc/25/71/07/134257107.db2.gz KVGTXIVSWUSOLI-NSHDSACASA-N 1 0 240.376 1.353 10 0 BDAERO CCC(CC)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171586272 134259088 /nfs/dbraw/zinc/25/90/88/134259088.db2.gz XIKXDWXWUOCHTF-GFCCVEGCSA-N 1 0 224.348 1.729 10 0 BDAERO 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NC(=O)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089151602 181296945 /nfs/dbraw/zinc/29/69/45/181296945.db2.gz PYYLBBBMWBFHHD-CHWSQXEVSA-N 1 0 248.326 1.036 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@@]1(C)CCCO1 ZINC000227894381 358365960 /nfs/dbraw/zinc/36/59/60/358365960.db2.gz ZOBYYUGRAXVCBM-CHWSQXEVSA-N 1 0 245.363 1.323 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000231242731 358416128 /nfs/dbraw/zinc/41/61/28/358416128.db2.gz WVNROAPHLGLBFO-VXGBXAGGSA-N 1 0 213.321 1.306 10 0 BDAERO Cc1cnc([C@@H]([NH3+])Cc2ccccc2)n1C ZINC000074115174 358421464 /nfs/dbraw/zinc/42/14/64/358421464.db2.gz KEILTRTVHYQOKA-LBPRGKRZSA-N 1 0 215.300 1.971 10 0 BDAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCC1CCC1 ZINC000077793610 325392481 /nfs/dbraw/zinc/39/24/81/325392481.db2.gz KLVNHMMBCHCOKA-NSHDSACASA-N 1 0 241.379 1.816 10 0 BDAERO CCCC[C@H](C[NH3+])Nc1nccn2nc(C)cc12 ZINC000129910515 358601649 /nfs/dbraw/zinc/60/16/49/358601649.db2.gz MSGNHINPQDFKPH-LLVKDONJSA-N 1 0 247.346 1.967 10 0 BDAERO 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ZINC000306605088 360533569 /nfs/dbraw/zinc/53/35/69/360533569.db2.gz PEBFPZOHFSSQHY-UHFFFAOYSA-N 1 0 233.315 1.478 10 0 BDAERO CN(C[C@@H]1CCCC1(F)F)C1C[NH2+]C1 ZINC000306594870 360513763 /nfs/dbraw/zinc/51/37/63/360513763.db2.gz JXGJVSIQVNOKIN-QMMMGPOBSA-N 1 0 204.264 1.325 10 0 BDAERO CC[C@@H]1[C@@H](C)CC[N@@H+]1C1(CN)CSC1 ZINC000306595281 360516243 /nfs/dbraw/zinc/51/62/43/360516243.db2.gz XVEWAVFIUXQSQM-VHSXEESVSA-N 1 0 214.378 1.551 10 0 BDAERO C[C@@H]1CSC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000306598140 360518144 /nfs/dbraw/zinc/51/81/44/360518144.db2.gz PBDHNXHLCOZVCS-YTWAJWBKSA-N 1 0 214.378 1.550 10 0 BDAERO [NH3+][C@H]1CCN(C2CC2)[C@H]1c1cccs1 ZINC000069800134 360558715 /nfs/dbraw/zinc/55/87/15/360558715.db2.gz HUUZMJDCQIUYEV-GXSJLCMTSA-N 1 0 208.330 1.985 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH3+])C[C@@H]1F ZINC000238116374 360575498 /nfs/dbraw/zinc/57/54/98/360575498.db2.gz ZOZMDUIUTNXPHS-GJMOJQLCSA-N 1 0 218.272 1.339 10 0 BDAERO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000149282583 360615494 /nfs/dbraw/zinc/61/54/94/360615494.db2.gz VXKGLACRLFQFOI-DGCLKSJQSA-N 1 0 204.317 1.774 10 0 BDAERO CC(C)[N@H+](C)[C@@]1(CN)CCO[C@@H](C)C1 ZINC000069892007 360949022 /nfs/dbraw/zinc/94/90/22/360949022.db2.gz IAWRZVITVBQFFX-QWRGUYRKSA-N 1 0 200.326 1.223 10 0 BDAERO CC(C)[C@H](CN)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000069908187 361001241 /nfs/dbraw/zinc/00/12/41/361001241.db2.gz FYTFBLGVGSYITD-MXWKQRLJSA-N 1 0 216.394 1.796 10 0 BDAERO C[C@@H](C(N)=S)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000069908546 361001380 /nfs/dbraw/zinc/00/13/80/361001380.db2.gz VYEBSHXBHFNSRF-PRJMDXOYSA-N 1 0 218.391 1.487 10 0 BDAERO C[C@@H]1CN(C(C)(C)C[NH3+])C[C@@H](C)S1 ZINC000069908328 361001694 /nfs/dbraw/zinc/00/16/94/361001694.db2.gz BJACPQHOENOKBT-RKDXNWHRSA-N 1 0 202.367 1.550 10 0 BDAERO CC(C)C[C@@H](C)[NH2+]C1CCN(CCO)CC1 ZINC000309687688 491154410 /nfs/dbraw/zinc/15/44/10/491154410.db2.gz ORLVUCYHEWUEPQ-GFCCVEGCSA-N 1 0 228.380 1.467 10 0 BDAERO [NH3+]C1(C(=O)N2CCC[C@@H]2c2ccc[nH]2)CCCC1 ZINC000037819627 181324562 /nfs/dbraw/zinc/32/45/62/181324562.db2.gz CDUYUUNXQKZLFD-GFCCVEGCSA-N 1 0 247.342 1.950 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@H]1NCc1cncs1 ZINC000306616718 361171476 /nfs/dbraw/zinc/17/14/76/361171476.db2.gz PEKJRHLNKRTIQB-SCZZXKLOSA-N 1 0 211.334 1.231 10 0 BDAERO [NH3+][C@H](CCO)c1cscc1Br ZINC000238678564 361176483 /nfs/dbraw/zinc/17/64/83/361176483.db2.gz QWWWMTFHHSYQRH-SSDOTTSWSA-N 1 0 236.134 1.893 10 0 BDAERO COCc1ccc(C[NH2+][C@@H]2C[C@H]2CO)cc1 ZINC000309714680 491154830 /nfs/dbraw/zinc/15/48/30/491154830.db2.gz SFNKIBZUDUDFIN-QWHCGFSZSA-N 1 0 221.300 1.303 10 0 BDAERO CC(C)[C@](C)(C[NH3+])N1CCOC[C@H]1C ZINC000041053642 361210276 /nfs/dbraw/zinc/21/02/76/361210276.db2.gz UJUAHMFWZKGHCK-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO CSCCCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000158816093 361212409 /nfs/dbraw/zinc/21/24/09/361212409.db2.gz YTLJARPBYBUDCA-VHSXEESVSA-N 1 0 230.377 1.101 10 0 BDAERO Cc1[nH]c(CC[NH3+])nc1-c1cccs1 ZINC000041062182 361242719 /nfs/dbraw/zinc/24/27/19/361242719.db2.gz GQDPCBAPJKDGHP-UHFFFAOYSA-N 1 0 207.302 1.948 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2cn[nH]c2)C[C@H](C)O1 ZINC000309746320 491155864 /nfs/dbraw/zinc/15/58/64/491155864.db2.gz FQJOLVLUTSOIII-UWVGGRQHSA-N 1 0 223.320 1.703 10 0 BDAERO [NH3+]C1(C(=O)OC[C@H]2CCOC2)CCCCCC1 ZINC000049688557 181330880 /nfs/dbraw/zinc/33/08/80/181330880.db2.gz SFEZTFTZBZIHEI-NSHDSACASA-N 1 0 241.331 1.618 10 0 BDAERO CC(C)[C@@H](C)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000036757413 361395881 /nfs/dbraw/zinc/39/58/81/361395881.db2.gz CVQUWXQHHMILBH-VXGBXAGGSA-N 1 0 226.364 1.927 10 0 BDAERO [NH3+]C1(c2ncccc2Br)CC1 ZINC000083298044 181334675 /nfs/dbraw/zinc/33/46/75/181334675.db2.gz NSHIJDJCPJAPHF-UHFFFAOYSA-N 1 0 213.078 1.792 10 0 BDAERO CC[C@H](COC)[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000152989945 201214696 /nfs/dbraw/zinc/21/46/96/201214696.db2.gz ZUMZNERZAAGHTC-XQQFMLRXSA-N 1 0 228.380 1.730 10 0 BDAERO C[NH2+][C@H]1CCN(S(C)(=O)=O)c2ccccc21 ZINC000070601255 361583989 /nfs/dbraw/zinc/58/39/89/361583989.db2.gz LFGCWNMXXXWOCA-JTQLQIEISA-N 1 0 240.328 1.117 10 0 BDAERO C[NH2+][C@@H]1CCN(S(C)(=O)=O)c2ccccc21 ZINC000070601254 361584020 /nfs/dbraw/zinc/58/40/20/361584020.db2.gz LFGCWNMXXXWOCA-SNVBAGLBSA-N 1 0 240.328 1.117 10 0 BDAERO [NH3+]C1CC(NC(=O)/C=C/c2ccccc2)C1 ZINC000036237154 181340357 /nfs/dbraw/zinc/34/03/57/181340357.db2.gz OUEVGKBKGSZEOL-VOTSOKGWSA-N 1 0 216.284 1.306 10 0 BDAERO [NH3+]C1CC(NC(=O)c2cccc(Cl)c2)C1 ZINC000036237040 181340423 /nfs/dbraw/zinc/34/04/23/181340423.db2.gz LNLDPNGANCSWBM-UHFFFAOYSA-N 1 0 224.691 1.560 10 0 BDAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cn(C)nn1 ZINC000310039920 491159878 /nfs/dbraw/zinc/15/98/78/491159878.db2.gz XKTHDXRSSOPEKG-CMPLNLGQSA-N 1 0 222.336 1.874 10 0 BDAERO [NH3+]C1CCC(CC(=O)N2CCCCC2)CC1 ZINC000055124014 181341703 /nfs/dbraw/zinc/34/17/03/181341703.db2.gz AUVACSWKBAVHPO-UHFFFAOYSA-N 1 0 224.348 1.907 10 0 BDAERO [NH3+]C1CCC(S(=O)(=O)c2cccs2)CC1 ZINC000055143903 181342194 /nfs/dbraw/zinc/34/21/94/181342194.db2.gz HETSWWOIXBKZHG-UHFFFAOYSA-N 1 0 245.369 1.792 10 0 BDAERO [NH3+]C1CCC(Oc2cccc(CO)c2)CC1 ZINC000055144174 181342490 /nfs/dbraw/zinc/34/24/90/181342490.db2.gz IETIXRBFSKMMFA-UHFFFAOYSA-N 1 0 221.300 1.828 10 0 BDAERO CCCN(CCC)C(=O)C[NH2+][C@H](C)COC ZINC000310016954 491160165 /nfs/dbraw/zinc/16/01/65/491160165.db2.gz LGTCPYWSVLQXMF-LLVKDONJSA-N 1 0 230.352 1.260 10 0 BDAERO [NH3+]C1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000070459741 181344473 /nfs/dbraw/zinc/34/44/73/181344473.db2.gz YJCRYDJLNBLAPW-ZDUSSCGKSA-N 1 0 238.306 1.282 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000037169383 361711326 /nfs/dbraw/zinc/71/13/26/361711326.db2.gz GCSRKKXQXJACLV-NSHDSACASA-N 1 0 207.273 1.866 10 0 BDAERO [NH3+]C1C[C@H]2CC(O)(C(F)(F)F)C[C@@H]2C1 ZINC000057218933 181346783 /nfs/dbraw/zinc/34/67/83/181346783.db2.gz OCSMNKFEZMIKBI-LHZZQDSXSA-N 1 0 209.211 1.427 10 0 BDAERO [NH3+]CC(=O)N1CC[C@H](c2cccs2)C1 ZINC000077304120 181349644 /nfs/dbraw/zinc/34/96/44/181349644.db2.gz FXSBJKKEZKMIAO-QMMMGPOBSA-N 1 0 210.302 1.023 10 0 BDAERO Cc1cc(N[C@@H](C)C[NH+](C)C)nc(Cl)n1 ZINC000130650639 363877138 /nfs/dbraw/zinc/87/71/38/363877138.db2.gz YUKXAQCLZLZACP-QMMMGPOBSA-N 1 0 228.727 1.800 10 0 BDAERO O=C1CC[C@H](C[NH2+]Cc2cccs2)N1 ZINC000070204280 541309201 /nfs/dbraw/zinc/30/92/01/541309201.db2.gz ULXVONWIJPUKPI-MRVPVSSYSA-N 1 0 210.302 1.116 10 0 BDAERO CO[C@@H]1CN(CCCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630356824 364077228 /nfs/dbraw/zinc/07/72/28/364077228.db2.gz BASGBNWXVAHBDQ-QWHCGFSZSA-N 1 0 244.379 1.240 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000630357665 364079780 /nfs/dbraw/zinc/07/97/80/364079780.db2.gz UNLVKPHWGFBNAN-GARJFASQSA-N 1 0 240.347 1.058 10 0 BDAERO CO[C@@H]1CN(CCOCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364660 364083018 /nfs/dbraw/zinc/08/30/18/364083018.db2.gz FXQGTXFHVLXLCB-STQMWFEESA-N 1 0 244.379 1.097 10 0 BDAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)C(C)C ZINC000037480134 364063892 /nfs/dbraw/zinc/06/38/92/364063892.db2.gz SAQFZYPGNBCYPX-JTQLQIEISA-N 1 0 200.326 1.535 10 0 BDAERO CCCNC(=O)NC[C@@H]([NH3+])[C@H](C)CC ZINC000725254962 541331978 /nfs/dbraw/zinc/33/19/78/541331978.db2.gz LPNWNISNLDXWEC-RKDXNWHRSA-N 1 0 201.314 1.069 10 0 BDAERO CO[C@H]1CN(Cc2ccc(C)nc2)[C@@](C)(C[NH3+])C1 ZINC000630366336 364086562 /nfs/dbraw/zinc/08/65/62/364086562.db2.gz KCXWXQYJUCFVCG-ZIAGYGMSSA-N 1 0 249.358 1.328 10 0 BDAERO O=C(C1CC1)N1CC[C@@H]2CC[C@@]21[C@H]1CCC[NH2+]C1 ZINC000725263594 541336551 /nfs/dbraw/zinc/33/65/51/541336551.db2.gz UGFMGFZONXPZOM-YDHLFZDLSA-N 1 0 248.370 1.777 10 0 BDAERO [NH3+]CC(=O)Nc1cc(Cl)cc2cccnc21 ZINC000037005782 181355826 /nfs/dbraw/zinc/35/58/26/181355826.db2.gz PWJIHXJGDYVWNZ-UHFFFAOYSA-N 1 0 235.674 1.785 10 0 BDAERO [NH3+]CC(=O)Nc1cccc2cnccc21 ZINC000037015298 181356025 /nfs/dbraw/zinc/35/60/25/181356025.db2.gz SWHVKNPWZMLFDW-UHFFFAOYSA-N 1 0 201.229 1.132 10 0 BDAERO CCNc1ccnc2c1cnn2C1C[NH2+]C1 ZINC000725259459 541333712 /nfs/dbraw/zinc/33/37/12/541333712.db2.gz ZJTAUWIYFMOMQS-UHFFFAOYSA-N 1 0 217.276 1.007 10 0 BDAERO CNC(=O)c1csc(-c2cccc(C[NH3+])c2)n1 ZINC000725263590 541336432 /nfs/dbraw/zinc/33/64/32/541336432.db2.gz SZWOAACYXAYJRT-UHFFFAOYSA-N 1 0 247.323 1.628 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CCCCC[C@H]1C[NH3+] ZINC000725269791 541339212 /nfs/dbraw/zinc/33/92/12/541339212.db2.gz QMGMEGQVMGGWNP-NEPJUHHUSA-N 1 0 241.379 1.944 10 0 BDAERO Cc1cc(C)nc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630532992 364223951 /nfs/dbraw/zinc/22/39/51/364223951.db2.gz MIYNYXZVFVFURD-KCJUWKMLSA-N 1 0 220.320 1.646 10 0 BDAERO CCCOc1nccnc1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000630516378 364200821 /nfs/dbraw/zinc/20/08/21/364200821.db2.gz MMWOMNPYGILIKI-ZJUUUORDSA-N 1 0 238.335 1.225 10 0 BDAERO [NH3+]CC1(C(=O)NC[C@@H]2CCOC2)CCCCC1 ZINC000061146835 181359157 /nfs/dbraw/zinc/35/91/57/181359157.db2.gz RCVRYDNJATVOEX-NSHDSACASA-N 1 0 240.347 1.048 10 0 BDAERO Cc1ccnc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000257704923 370742955 /nfs/dbraw/zinc/74/29/55/370742955.db2.gz PRNMLXHIMADIHT-UHFFFAOYSA-N 1 0 233.315 1.846 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nnc(C)c(C)n1 ZINC000630525188 364211926 /nfs/dbraw/zinc/21/19/26/364211926.db2.gz BMNGLSIELFIBKO-VHSXEESVSA-N 1 0 221.308 1.041 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc2ccccc2n1C ZINC000630525630 364212508 /nfs/dbraw/zinc/21/25/08/364212508.db2.gz JYWNQDLNQCAZRV-WDEREUQCSA-N 1 0 244.342 1.548 10 0 BDAERO C[NH2+]CCOCCN(C)c1cc(C)ccn1 ZINC000630530236 364218562 /nfs/dbraw/zinc/21/85/62/364218562.db2.gz IFLLMLPNWWNVSE-UHFFFAOYSA-N 1 0 223.320 1.062 10 0 BDAERO [NH3+][C@@H]1CCCCCN(c2ncnc3nc[nH]c32)C1 ZINC000630550802 364244097 /nfs/dbraw/zinc/24/40/97/364244097.db2.gz VHTHRNAUCAUNDB-SECBINFHSA-N 1 0 246.318 1.061 10 0 BDAERO [NH3+][C@H]1CCCCCN(c2ncccc2F)C1 ZINC000630548474 364245319 /nfs/dbraw/zinc/24/53/19/364245319.db2.gz CGDHYJZUTUHLSV-JTQLQIEISA-N 1 0 223.295 1.928 10 0 BDAERO Cc1nc(N2C[C@H](C)[C@@H](C[NH3+])C2)sc1C ZINC000630554136 364249338 /nfs/dbraw/zinc/24/93/38/364249338.db2.gz OMTYTPBCAPSLIW-XVKPBYJWSA-N 1 0 225.361 1.791 10 0 BDAERO [NH3+]CC1(C(=O)NC2CC2)CCCCCC1 ZINC000044761311 181359440 /nfs/dbraw/zinc/35/94/40/181359440.db2.gz DTDOARINGAKWIC-UHFFFAOYSA-N 1 0 210.321 1.564 10 0 BDAERO CC(C)c1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000630566722 364263802 /nfs/dbraw/zinc/26/38/02/364263802.db2.gz FUOFLZWSEHZRTQ-GHMZBOCLSA-N 1 0 234.347 1.631 10 0 BDAERO CCc1ncnc(N2C[C@H](C)[C@H](C[NH3+])C2)c1F ZINC000630567365 364264463 /nfs/dbraw/zinc/26/44/63/364264463.db2.gz ICVSUXGCILADAR-DTWKUNHWSA-N 1 0 238.310 1.209 10 0 BDAERO [NH3+]CCCOCCN=c1[nH]c2ccccc2o1 ZINC000630533901 364227239 /nfs/dbraw/zinc/22/72/39/364227239.db2.gz HGROCIDIRIXSPH-UHFFFAOYSA-N 1 0 235.287 1.027 10 0 BDAERO [NH3+]CCCOCCNc1cnc2ccccc2n1 ZINC000630534696 364227878 /nfs/dbraw/zinc/22/78/78/364227878.db2.gz OMTQMVDDPZQLOQ-UHFFFAOYSA-N 1 0 246.314 1.407 10 0 BDAERO CC(C)[N@H+](C)CCNC(=O)N[C@H]1C[C@@H]1C ZINC000170815109 364353447 /nfs/dbraw/zinc/35/34/47/364353447.db2.gz WHLQLXRQFZZQEB-UWVGGRQHSA-N 1 0 213.325 1.034 10 0 BDAERO [NH3+]CC1(c2ccc3c(c2)CCC3)OCCO1 ZINC000049817227 181362603 /nfs/dbraw/zinc/36/26/03/181362603.db2.gz VJIHANCYACHHCW-UHFFFAOYSA-N 1 0 219.284 1.334 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)nc1 ZINC000134241996 364395909 /nfs/dbraw/zinc/39/59/09/364395909.db2.gz BUPYWGZIRPANOI-PWSUYJOCSA-N 1 0 206.289 1.657 10 0 BDAERO CCC[C@@H](CC)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170835021 364442474 /nfs/dbraw/zinc/44/24/74/364442474.db2.gz MKYAXVFWUFFXGI-NEPJUHHUSA-N 1 0 241.379 1.911 10 0 BDAERO [NH3+]CC1(c2nc3ccccc3[nH]2)CCOCC1 ZINC000083080150 181363527 /nfs/dbraw/zinc/36/35/27/181363527.db2.gz FUGCAVIMZQMVAD-UHFFFAOYSA-N 1 0 231.299 1.570 10 0 BDAERO [NH3+]CC1CCC(C(=O)NC2CCCC2)CC1 ZINC000055145000 181363617 /nfs/dbraw/zinc/36/36/17/181363617.db2.gz WIIJFEXZTWKUEG-UHFFFAOYSA-N 1 0 224.348 1.810 10 0 BDAERO CCCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170855942 364531010 /nfs/dbraw/zinc/53/10/10/364531010.db2.gz MIYHRMGIYOOTIM-NSHDSACASA-N 1 0 212.337 1.729 10 0 BDAERO CCC(CC)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170867002 364546272 /nfs/dbraw/zinc/54/62/72/364546272.db2.gz BSUPLGNPZWBMMW-NSHDSACASA-N 1 0 212.337 1.585 10 0 BDAERO C[C@H](c1ccccn1)N(C)C[C@H]1CC[NH2+]C1 ZINC000248085403 364627366 /nfs/dbraw/zinc/62/73/66/364627366.db2.gz RQWNGGPHIKFGSX-NEPJUHHUSA-N 1 0 219.332 1.684 10 0 BDAERO [NH3+]CCC(=O)c1cccc2cnccc21 ZINC000082912339 181370416 /nfs/dbraw/zinc/37/04/16/181370416.db2.gz WWYHRBMHNQTUFT-UHFFFAOYSA-N 1 0 200.241 1.766 10 0 BDAERO CCN(C1C[NH2+]C1)[C@H]1CCCS[C@H]1C ZINC000252658807 364730844 /nfs/dbraw/zinc/73/08/44/364730844.db2.gz LNJMZUYEPWAETC-ONGXEEELSA-N 1 0 214.378 1.564 10 0 BDAERO O[C@@H]1C=C(CCC2CCOCC2)C[NH2+]C1 ZINC000675078518 541390329 /nfs/dbraw/zinc/39/03/29/541390329.db2.gz YVMLBCWZTZRIOS-GFCCVEGCSA-N 1 0 211.305 1.084 10 0 BDAERO [NH3+]CCCC(=O)N[C@@H]1CCCc2occc21 ZINC000040831780 181372590 /nfs/dbraw/zinc/37/25/90/181372590.db2.gz BWNABMYDFQTOKM-SNVBAGLBSA-N 1 0 222.288 1.512 10 0 BDAERO [NH3+]CCCC(=O)Nc1cccc2c[nH]nc21 ZINC000037044406 181374369 /nfs/dbraw/zinc/37/43/69/181374369.db2.gz HFDBBAUEPFIOLE-UHFFFAOYSA-N 1 0 218.260 1.240 10 0 BDAERO [NH3+]CCCCNC(=O)/C=C/c1ccc(O)cc1 ZINC000006092603 181376432 /nfs/dbraw/zinc/37/64/32/181376432.db2.gz CJHDBEPXEKGBDW-VMPITWQZSA-N 1 0 234.299 1.261 10 0 in-vitro BDAERO CN1CC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000212376173 541421071 /nfs/dbraw/zinc/42/10/71/541421071.db2.gz NIZNMYFICCBPHV-LLVKDONJSA-N 1 0 208.330 1.425 10 0 BDAERO [NH3+]CCCN1C(=O)C[C@@H]1c1ccccc1 ZINC000196151103 181379607 /nfs/dbraw/zinc/37/96/07/181379607.db2.gz PUIRGAKORGTKNK-LLVKDONJSA-N 1 0 204.273 1.309 10 0 BDAERO CSCC[C@@H](O)[C@]1(C[NH3+])CC1(C)C ZINC000669377196 541436551 /nfs/dbraw/zinc/43/65/51/541436551.db2.gz JBDWUXAVCWPOQH-PSASIEDQSA-N 1 0 203.351 1.475 10 0 BDAERO C[C@H](C[NH3+])C1(O)CC(OCc2ccccc2)C1 ZINC000669377073 541436566 /nfs/dbraw/zinc/43/65/66/541436566.db2.gz FSHCWEUGVGAFAY-LMWSTFAQSA-N 1 0 235.327 1.692 10 0 BDAERO [NH3+]CCCN(Cc1ncccn1)C1CCCCC1 ZINC000054458611 181380183 /nfs/dbraw/zinc/38/01/83/181380183.db2.gz HQTIUTUFVIGIAW-UHFFFAOYSA-N 1 0 248.374 1.960 10 0 BDAERO [NH3+]CCCCn1ncc(=O)c2ccccc21 ZINC000036867199 181380389 /nfs/dbraw/zinc/38/03/89/181380389.db2.gz YDMUVBYMNLOXGC-UHFFFAOYSA-N 1 0 217.272 1.135 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000252647471 541451165 /nfs/dbraw/zinc/45/11/65/541451165.db2.gz UGJQZAYPHXSMOD-PWSUYJOCSA-N 1 0 212.337 1.095 10 0 BDAERO [NH3+]CCCS(=O)(=O)c1ccc(F)cc1F ZINC000037381751 181384617 /nfs/dbraw/zinc/38/46/17/181384617.db2.gz DYYYNTZLXCKFIE-UHFFFAOYSA-N 1 0 235.255 1.087 10 0 BDAERO [NH3+]CCC[S@@](=O)c1cc(F)ccc1F ZINC000040954924 181385751 /nfs/dbraw/zinc/38/57/51/181385751.db2.gz OWOQGYOCUNSDPF-AWEZNQCLSA-N 1 0 219.256 1.421 10 0 BDAERO [NH3+]CCC[S@](=O)c1cc(F)ccc1F ZINC000040954922 181385881 /nfs/dbraw/zinc/38/58/81/181385881.db2.gz OWOQGYOCUNSDPF-CQSZACIVSA-N 1 0 219.256 1.421 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccc(F)cc2)o1 ZINC000011585923 181388443 /nfs/dbraw/zinc/38/84/43/181388443.db2.gz AFOFNUQTCITPHC-UHFFFAOYSA-N 1 0 221.235 1.767 10 0 BDAERO [NH3+]CCCc1nnc(CCc2cccc(O)c2)o1 ZINC000019733384 181388712 /nfs/dbraw/zinc/38/87/12/181388712.db2.gz DPXOUWIALSZXAV-UHFFFAOYSA-N 1 0 247.298 1.452 10 0 BDAERO [NH3+]CCCn1nnnc1-c1ccccc1Cl ZINC000050438887 181390524 /nfs/dbraw/zinc/39/05/24/181390524.db2.gz OTUVKWLXKCPKDJ-UHFFFAOYSA-N 1 0 237.694 1.342 10 0 BDAERO [NH3+]CCNCc1nc(-c2ccccc2)cs1 ZINC000061680904 181397205 /nfs/dbraw/zinc/39/72/05/181397205.db2.gz ZUHRODSEAKCUEV-UHFFFAOYSA-N 1 0 233.340 1.858 10 0 BDAERO [NH3+]CCNc1c(F)c(F)nc(F)c1F ZINC000026470014 181397846 /nfs/dbraw/zinc/39/78/46/181397846.db2.gz DGPLHBDJAGYXTG-UHFFFAOYSA-N 1 0 209.146 1.009 10 0 BDAERO [NH3+]CCOCc1ccc(Br)s1 ZINC000051864411 181399031 /nfs/dbraw/zinc/39/90/31/181399031.db2.gz IXYBGZQQFCKKSF-UHFFFAOYSA-N 1 0 236.134 1.986 10 0 BDAERO [NH3+]CCOCCSc1cccs1 ZINC000057491977 181399229 /nfs/dbraw/zinc/39/92/29/181399229.db2.gz FRTPOBJUGHVYIP-UHFFFAOYSA-N 1 0 203.332 1.816 10 0 BDAERO [NH3+]CCSCCOc1cccc(F)c1 ZINC000020399320 181402017 /nfs/dbraw/zinc/40/20/17/181402017.db2.gz AIMDCWZOBJXLAK-UHFFFAOYSA-N 1 0 215.293 1.896 10 0 BDAERO [NH3+]CC[C@H](N1CCCCC1)C(F)(F)F ZINC000037178298 181407812 /nfs/dbraw/zinc/40/78/12/181407812.db2.gz SLRLQGNUFRRBSB-QMMMGPOBSA-N 1 0 210.243 1.752 10 0 BDAERO [NH3+]CCc1ccnc(-c2cccc(F)c2)n1 ZINC000054833691 181412518 /nfs/dbraw/zinc/41/25/18/181412518.db2.gz GCGNTYAZWJRGKJ-UHFFFAOYSA-N 1 0 217.247 1.784 10 0 BDAERO [NH3+]CCc1nccc(-c2ccc(F)cc2)n1 ZINC000082535929 181414277 /nfs/dbraw/zinc/41/42/77/181414277.db2.gz GEQWJYYMZRPNPJ-UHFFFAOYSA-N 1 0 217.247 1.784 10 0 BDAERO [NH3+]CCc1nncn1CCCc1ccccc1 ZINC000098125210 181414779 /nfs/dbraw/zinc/41/47/79/181414779.db2.gz WFZJFRPDGOOQRJ-UHFFFAOYSA-N 1 0 230.315 1.412 10 0 BDAERO [NH3+]C[C@@H](O)Cc1c(F)cccc1Cl ZINC000041212400 181422331 /nfs/dbraw/zinc/42/23/31/181422331.db2.gz CTWIGWAVXJENAC-LURJTMIESA-N 1 0 203.644 1.341 10 0 BDAERO COC[C@@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000171522814 365209716 /nfs/dbraw/zinc/20/97/16/365209716.db2.gz CTSGSAYPWRGOEV-GFCCVEGCSA-N 1 0 242.363 1.261 10 0 BDAERO C[N@H+](C[C@H]1CCCC[C@H]1O)[C@@H]1CCC[C@H]1O ZINC000575991801 365438689 /nfs/dbraw/zinc/43/86/89/365438689.db2.gz DRGYYRJSCAODIB-FDYHWXHSSA-N 1 0 227.348 1.383 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1COc2c(ccc(F)c2F)C1 ZINC000675063359 541464638 /nfs/dbraw/zinc/46/46/38/541464638.db2.gz CYLNATGWUMGADD-SVRRBLITSA-N 1 0 213.227 1.863 10 0 BDAERO COc1cc(C)cc2c1OC[C@H]([C@H](C)[NH3+])C2 ZINC000675063790 541465199 /nfs/dbraw/zinc/46/51/99/541465199.db2.gz OYPIEUBAEOAODL-GXSJLCMTSA-N 1 0 221.300 1.902 10 0 BDAERO OC1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000236468927 541470886 /nfs/dbraw/zinc/47/08/86/541470886.db2.gz HWVAJOUDAPCQOB-POSLAHMBSA-N 1 0 213.321 1.183 10 0 BDAERO CC1(C(=O)NC2CCC(C)([NH3+])CC2)CC1 ZINC000685947593 541496969 /nfs/dbraw/zinc/49/69/69/541496969.db2.gz MIFVOSSEIGKBGJ-UHFFFAOYSA-N 1 0 210.321 1.563 10 0 BDAERO CCc1cnn2c1NC[C@H]1C[NH2+]CC[C@H]12 ZINC000234188312 541511009 /nfs/dbraw/zinc/51/10/09/541511009.db2.gz UXUMCOVSGWLYOS-NXEZZACHSA-N 1 0 206.293 1.022 10 0 BDAERO CCOC(=O)[C@@H]1CNc2[nH+]c(C)cn2[C@H]1C ZINC000233990478 541511215 /nfs/dbraw/zinc/51/12/15/541511215.db2.gz KGVIRYGYDVMJJT-DTWKUNHWSA-N 1 0 223.276 1.357 10 0 BDAERO CC[C@H](C[NH3+])[C@@H](O)c1cnc(C)s1 ZINC000234041388 541511224 /nfs/dbraw/zinc/51/12/24/541511224.db2.gz SLZCBOVSMSNGTE-VXNVDRBHSA-N 1 0 200.307 1.470 10 0 BDAERO CCc1cn2c([nH+]1)NCC[C@H]2C(OC)OC ZINC000234178072 541512385 /nfs/dbraw/zinc/51/23/85/541512385.db2.gz IBVXDHGVAYOVAR-VIFPVBQESA-N 1 0 225.292 1.421 10 0 BDAERO CCc1cc2n(n1)[C@H]1CC[NH2+]C[C@H]1CN2 ZINC000234201936 541512405 /nfs/dbraw/zinc/51/24/05/541512405.db2.gz YEBKNUKLYOTKPK-WPRPVWTQSA-N 1 0 206.293 1.022 10 0 BDAERO CCCc1nsc(N[C@H](C)[C@@H](C)[NH3+])n1 ZINC000381329214 367382559 /nfs/dbraw/zinc/38/25/59/367382559.db2.gz AWOXOMQIKCCXNR-RNFRBKRXSA-N 1 0 214.338 1.060 10 0 BDAERO C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000581359845 367387800 /nfs/dbraw/zinc/38/78/00/367387800.db2.gz VOVLCRASMUYJKG-ONGXEEELSA-N 1 0 225.336 1.226 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000381485106 367417033 /nfs/dbraw/zinc/41/70/33/367417033.db2.gz UXIVYLCEYHQVBE-UPJWGTAASA-N 1 0 229.364 1.920 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000381991719 367476467 /nfs/dbraw/zinc/47/64/67/367476467.db2.gz HSWMXZCYGIOHPQ-HGCLJGPKSA-N 1 0 222.332 1.432 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000382049101 367481853 /nfs/dbraw/zinc/48/18/53/367481853.db2.gz DADWQNFGMIFYPE-VPOLOUISSA-N 1 0 210.321 1.241 10 0 BDAERO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000382331559 367509799 /nfs/dbraw/zinc/50/97/99/367509799.db2.gz WPSPUGTXBVVSBZ-YVECIDJPSA-N 1 0 227.348 1.959 10 0 BDAERO [NH3+]CC[C@H](Nc1ncnc2c1CCC2)C(F)F ZINC000383497487 367629230 /nfs/dbraw/zinc/62/92/30/367629230.db2.gz YQRGOINAVLQQMO-VIFPVBQESA-N 1 0 242.273 1.360 10 0 BDAERO [NH3+]CC[C@H](Nc1ncc(Cl)cn1)C(F)F ZINC000383519982 367633553 /nfs/dbraw/zinc/63/35/53/367633553.db2.gz VCCHDZCHYOEZAM-LURJTMIESA-N 1 0 236.653 1.524 10 0 BDAERO CSC[C@H](C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384555476 367700026 /nfs/dbraw/zinc/70/00/26/367700026.db2.gz OCAWSIQPLKPSDO-AEJSXWLSSA-N 1 0 230.377 1.242 10 0 BDAERO CSCCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384781085 367731355 /nfs/dbraw/zinc/73/13/55/367731355.db2.gz UCLJVMNXXPYDCK-UWVGGRQHSA-N 1 0 203.351 1.585 10 0 BDAERO C[C@@H](CCCC[NH3+])Nc1ccc2nccnc2n1 ZINC000385236939 367811904 /nfs/dbraw/zinc/81/19/04/367811904.db2.gz JYVPNAJBOYDAQY-JTQLQIEISA-N 1 0 245.330 1.328 10 0 BDAERO CO[C@H](C)c1nsc(N2C[C@@H]([NH3+])C[C@H]2C)n1 ZINC000385160280 367803836 /nfs/dbraw/zinc/80/38/36/367803836.db2.gz BGRIKOOUXQXSPE-PRJMDXOYSA-N 1 0 242.348 1.171 10 0 BDAERO C[C@H]1SCCS[C@H]1C(=[NH2+])N(C)C ZINC000252719230 367828719 /nfs/dbraw/zinc/82/87/19/367828719.db2.gz HFYJQDDZVNIGKI-RNFRBKRXSA-N 1 0 204.364 1.762 10 0 BDAERO OC[C@@H]([NH2+][C@H]1CCn2ccnc21)C1CCCCC1 ZINC000386177020 367923724 /nfs/dbraw/zinc/92/37/24/367923724.db2.gz NYTYXHBAXSGTMG-QWHCGFSZSA-N 1 0 249.358 1.859 10 0 BDAERO CC[NH2+][C@H](C)CNc1ncc(C)c(C)n1 ZINC000386536873 367988773 /nfs/dbraw/zinc/98/87/73/367988773.db2.gz IEZGUHOWUGNLJV-SECBINFHSA-N 1 0 208.309 1.503 10 0 BDAERO OC[C@H]([NH2+]C1CCC(O)CC1)C1CCCCC1 ZINC000386325975 367951528 /nfs/dbraw/zinc/95/15/28/367951528.db2.gz ZGDKVKFEWVFDFE-RUXDESIVSA-N 1 0 241.375 1.821 10 0 BDAERO Cc1cnc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)nc1C ZINC000386609301 368001581 /nfs/dbraw/zinc/00/15/81/368001581.db2.gz BKMWZRIHDSWACB-NWDGAFQWSA-N 1 0 234.347 1.893 10 0 BDAERO Cc1cnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc1C ZINC000386509040 367983087 /nfs/dbraw/zinc/98/30/87/367983087.db2.gz VPHDGDNRAHTDCW-RYUDHWBXSA-N 1 0 232.331 1.282 10 0 BDAERO Cc1cnc(N2C[C@@H](C)[NH2+]C[C@H]2C)nc1C ZINC000386523765 367986055 /nfs/dbraw/zinc/98/60/55/367986055.db2.gz YEVPJROXKDPCLY-NXEZZACHSA-N 1 0 220.320 1.280 10 0 BDAERO CCCN(CC(F)F)C(=O)[C@@H](C)[NH2+]C ZINC000387027803 368042323 /nfs/dbraw/zinc/04/23/23/368042323.db2.gz JNHVFTJENJUDDP-SSDOTTSWSA-N 1 0 208.252 1.098 10 0 BDAERO CCN(CC(F)F)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000387097849 368050939 /nfs/dbraw/zinc/05/09/39/368050939.db2.gz WNTFZUKXQXFLMK-BDAKNGLRSA-N 1 0 234.290 1.488 10 0 BDAERO C[C@]1(C(=O)N[C@H]2CC23CCCCC3)CCC[NH2+]1 ZINC000386816172 368023987 /nfs/dbraw/zinc/02/39/87/368023987.db2.gz AEGPEJAPAVDIJF-WCQYABFASA-N 1 0 236.359 1.968 10 0 BDAERO CC[C@@H]1CSC[C@H]([C@H]2CCOC2)[NH2+]1 ZINC000252823855 368160020 /nfs/dbraw/zinc/16/00/20/368160020.db2.gz COALYNCZGFUTNS-IVZWLZJFSA-N 1 0 201.335 1.507 10 0 BDAERO C[C@H](CN(C)C(=O)[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000399396944 368161971 /nfs/dbraw/zinc/16/19/71/368161971.db2.gz BHMXAUDZKDYIHO-GHMZBOCLSA-N 1 0 226.364 1.737 10 0 BDAERO COC[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000399521049 368171832 /nfs/dbraw/zinc/17/18/32/368171832.db2.gz OOKHDOCQHYXPMB-NXEZZACHSA-N 1 0 230.352 1.101 10 0 BDAERO O=C(CC1C[NH2+]C1)c1ccc(F)cc1F ZINC000226516991 368303712 /nfs/dbraw/zinc/30/37/12/368303712.db2.gz CBBYBGFNBLQTLJ-UHFFFAOYSA-N 1 0 211.211 1.757 10 0 BDAERO CC[N@@H+]1CCC[C@](O)(c2cccc(N)c2)C1 ZINC000059129930 368333550 /nfs/dbraw/zinc/33/35/50/368333550.db2.gz IBLRIFZNXRTBPB-CYBMUJFWSA-N 1 0 220.316 1.572 10 0 BDAERO CCC[C@H]([NH3+])C(=O)c1ccc2c(c1)OCO2 ZINC000074047494 368336580 /nfs/dbraw/zinc/33/65/80/368336580.db2.gz ARAQGTAUSQZIPW-VIFPVBQESA-N 1 0 221.256 1.725 10 0 BDAERO Cc1cccc(-c2nnc(C3CC[NH2+]CC3)[nH]2)n1 ZINC000116147617 368343177 /nfs/dbraw/zinc/34/31/77/368343177.db2.gz WLOGZRNRWBRWMQ-UHFFFAOYSA-N 1 0 243.314 1.642 10 0 BDAERO C[C@H](CCCO)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000102231476 368383983 /nfs/dbraw/zinc/38/39/83/368383983.db2.gz UGFUXNYLRNKJRV-GMTAPVOTSA-N 1 0 215.337 1.693 10 0 BDAERO C[C@H](NC1=[NH+][C@H](C)CS1)[C@H]1CCOC1 ZINC000253058953 368417486 /nfs/dbraw/zinc/41/74/86/368417486.db2.gz BXOFGVXCJUVDAM-VGMNWLOBSA-N 1 0 214.334 1.492 10 0 BDAERO [NH3+][C@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000216878021 368400784 /nfs/dbraw/zinc/40/07/84/368400784.db2.gz MCSNMEVYCLODDS-QWRGUYRKSA-N 1 0 244.260 1.975 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@@H](C2([NH3+])CC2)C1 ZINC000215079745 368406466 /nfs/dbraw/zinc/40/64/66/368406466.db2.gz BLXRERKTGCGAIW-SECBINFHSA-N 1 0 226.320 1.735 10 0 BDAERO C[C@@H](NC1=[NH+]C[C@@H](C)S1)[C@H]1CCOC1 ZINC000253062230 368444668 /nfs/dbraw/zinc/44/46/68/368444668.db2.gz FQXKYAGNTQBYOQ-HLTSFMKQSA-N 1 0 214.334 1.492 10 0 BDAERO CC[C@@H]1CN([C@H]2CCC[NH2+]C2)CCS1 ZINC000253061589 368445599 /nfs/dbraw/zinc/44/55/99/368445599.db2.gz FDOWAJGTBFFAIM-WDEREUQCSA-N 1 0 214.378 1.566 10 0 BDAERO CCNC(=[NH2+])N1CCS[C@H](C)[C@H]1C ZINC000253077462 368471450 /nfs/dbraw/zinc/47/14/50/368471450.db2.gz SDUXPFTXMVGWFU-HTQZYQBOSA-N 1 0 201.339 1.356 10 0 BDAERO CN(C)C(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000000008347 368475354 /nfs/dbraw/zinc/47/53/54/368475354.db2.gz KYZLDSMOGUGNLM-UHFFFAOYSA-N 1 0 246.354 1.931 10 0 BDAERO O=C1CC[C@H]([N@H+]2CCCCC[C@H]2CO)C1 ZINC000253182187 368603917 /nfs/dbraw/zinc/60/39/17/368603917.db2.gz UZJYEDQYOFOQNJ-QWRGUYRKSA-N 1 0 211.305 1.345 10 0 BDAERO CC[NH2+]CCCNc1nc(CC)ns1 ZINC000083670062 368801614 /nfs/dbraw/zinc/80/16/14/368801614.db2.gz HLKHJJIFBDQJAE-UHFFFAOYSA-N 1 0 214.338 1.512 10 0 BDAERO Cc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1O ZINC000111366068 368857053 /nfs/dbraw/zinc/85/70/53/368857053.db2.gz ZJIHOIBKOHUJIT-NSHDSACASA-N 1 0 234.299 1.264 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCN(C)c2ccccc21 ZINC000111462649 368858253 /nfs/dbraw/zinc/85/82/53/368858253.db2.gz SOLQZJXDXDXXTE-SNVBAGLBSA-N 1 0 233.315 1.077 10 0 BDAERO C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000003642252 368877060 /nfs/dbraw/zinc/87/70/60/368877060.db2.gz FDIJINBEVKPNEC-UHFFFAOYSA-N 1 0 205.301 1.642 10 0 BDAERO O=CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000086511110 368882597 /nfs/dbraw/zinc/88/25/97/368882597.db2.gz 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YSUSSXVVYAVFPD-SSDOTTSWSA-N 1 0 220.099 1.856 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1ccon1 ZINC000616690660 369113820 /nfs/dbraw/zinc/11/38/20/369113820.db2.gz BELJPYOFQSVDBZ-CYBMUJFWSA-N 1 0 244.298 1.607 10 0 BDAERO [NH3+]CCN1C[C@@H](C(F)(F)F)Nc2ccccc21 ZINC000616692650 369114775 /nfs/dbraw/zinc/11/47/75/369114775.db2.gz KBAMADYIGVLQMR-JTQLQIEISA-N 1 0 245.248 1.808 10 0 BDAERO [NH3+]C[C@H]1CCCN(C(=O)Oc2ccccc2)C1 ZINC000044528778 181459236 /nfs/dbraw/zinc/45/92/36/181459236.db2.gz LVOAUCBFVXOKOM-LLVKDONJSA-N 1 0 234.299 1.856 10 0 BDAERO [NH3+]Cc1cc(Cl)ccc1OCc1ncon1 ZINC000037701043 181476533 /nfs/dbraw/zinc/47/65/33/181476533.db2.gz CQHWZAGISPVGEZ-UHFFFAOYSA-N 1 0 239.662 1.761 10 0 BDAERO C[C@H]1CN(Cc2nccn2C(F)F)C[C@@H]1C[NH3+] ZINC000631839926 369191631 /nfs/dbraw/zinc/19/16/31/369191631.db2.gz MNAMSWZTLWDOTN-IUCAKERBSA-N 1 0 244.289 1.305 10 0 BDAERO CSC[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000400134005 369343456 /nfs/dbraw/zinc/34/34/56/369343456.db2.gz UKPQBQAKIMLDBJ-WDEREUQCSA-N 1 0 242.388 1.340 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404033550 369417562 /nfs/dbraw/zinc/41/75/62/369417562.db2.gz XVIBXEPTYNDBIR-QJPTWQEYSA-N 1 0 240.347 1.012 10 0 BDAERO CCC(CC)C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404038662 369417591 /nfs/dbraw/zinc/41/75/91/369417591.db2.gz ZNKXUGSRJQFQRS-NWDGAFQWSA-N 1 0 240.347 1.012 10 0 BDAERO C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1nccs1 ZINC000161676662 370958554 /nfs/dbraw/zinc/95/85/54/370958554.db2.gz MTBQSRAYFWGPSK-IUCAKERBSA-N 1 0 211.334 1.355 10 0 BDAERO [NH3+]Cc1ccc(COC[C@H]2CCCO2)c(F)c1 ZINC000019388183 181482043 /nfs/dbraw/zinc/48/20/43/181482043.db2.gz UMAIGBZWYAYJEK-GFCCVEGCSA-N 1 0 239.290 1.980 10 0 BDAERO [NH3+]Cc1ccc(NC(=O)NCc2cn[nH]c2)cc1 ZINC000042356940 181484718 /nfs/dbraw/zinc/48/47/18/181484718.db2.gz CAHNKSPCLYKSRZ-UHFFFAOYSA-N 1 0 245.286 1.190 10 0 BDAERO [NH3+]Cc1ccc(OCc2ccno2)cc1 ZINC000037698911 181485261 /nfs/dbraw/zinc/48/52/61/181485261.db2.gz CEZNHDYPHIYODV-UHFFFAOYSA-N 1 0 204.229 1.712 10 0 BDAERO CCn1c(C)nnc1C[NH2+]C1(C2CC2)CC1 ZINC000309922454 370274906 /nfs/dbraw/zinc/27/49/06/370274906.db2.gz SYLFYGKPUHTZJA-UHFFFAOYSA-N 1 0 220.320 1.639 10 0 BDAERO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]CCSC ZINC000310004662 370287993 /nfs/dbraw/zinc/28/79/93/370287993.db2.gz GCYUUQDXPBDXQT-VXGBXAGGSA-N 1 0 244.404 1.586 10 0 BDAERO CC1CC(CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000621672520 370424401 /nfs/dbraw/zinc/42/44/01/370424401.db2.gz IHALELVPMILSRA-GCZXYKMCSA-N 1 0 224.348 1.681 10 0 BDAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(C)o2)C1 ZINC000113267023 370397082 /nfs/dbraw/zinc/39/70/82/370397082.db2.gz WBXQCKDMAPAIAP-CYBMUJFWSA-N 1 0 238.331 1.398 10 0 BDAERO Cc1nccnc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000621730690 370483308 /nfs/dbraw/zinc/48/33/08/370483308.db2.gz SPSXMIZSRBVIAZ-CMPLNLGQSA-N 1 0 221.304 1.130 10 0 BDAERO O=C1CCCCC[C@@H]1[N@@H+]1CC[C@@H](CO)C1 ZINC000226459931 371107215 /nfs/dbraw/zinc/10/72/15/371107215.db2.gz 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MQBKQLVAAKXZKM-JQWIXIFHSA-N 1 0 209.264 1.732 10 0 BDAERO [NH3+][C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1O ZINC000016082902 181660780 /nfs/dbraw/zinc/66/07/80/181660780.db2.gz QBQQEKHSIRVPES-IUCAKERBSA-N 1 0 218.083 1.910 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)[C@@H]2CCO[C@@H]21 ZINC000624216538 371403952 /nfs/dbraw/zinc/40/39/52/371403952.db2.gz JGTVTKGEEWAMKP-MJDLHHQISA-N 1 0 225.332 1.160 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)c(C)o1 ZINC000624236323 371421300 /nfs/dbraw/zinc/42/13/00/371421300.db2.gz ACJBMYONVYMILC-TVYUQYBPSA-N 1 0 239.315 1.697 10 0 BDAERO CCC1CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000624235191 371422669 /nfs/dbraw/zinc/42/26/69/371422669.db2.gz GKBWVUNCLRKGOO-IFWUJCSASA-N 1 0 227.348 1.695 10 0 BDAERO CCC1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624235193 371422737 /nfs/dbraw/zinc/42/27/37/371422737.db2.gz GKBWVUNCLRKGOO-TYUFSLCMSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1cccc(F)c1 ZINC000624234980 371422912 /nfs/dbraw/zinc/42/29/12/371422912.db2.gz AJDVLBQGYJLAQX-TVYUQYBPSA-N 1 0 239.290 1.626 10 0 BDAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624235055 371423140 /nfs/dbraw/zinc/42/31/40/371423140.db2.gz CCMPAEWUKNDFHD-WXHSDQCUSA-N 1 0 239.315 1.340 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCOC[C@H]1O)c1ccccc1 ZINC000624236161 371423725 /nfs/dbraw/zinc/42/37/25/371423725.db2.gz XLRYRKYMZZDPCZ-MELADBBJSA-N 1 0 235.327 1.877 10 0 BDAERO C[C@H]([NH2+][C@H]1CCOC[C@@H]1O)c1ccsc1 ZINC000624236223 371423975 /nfs/dbraw/zinc/42/39/75/371423975.db2.gz YZJWDJKMRWSVFU-LSJOCFKGSA-N 1 0 227.329 1.549 10 0 BDAERO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCOC[C@H]1O ZINC000624237314 371424885 /nfs/dbraw/zinc/42/48/85/371424885.db2.gz UUTRJKWUISXBAD-ADEWGFFLSA-N 1 0 241.356 1.419 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000624237822 371426191 /nfs/dbraw/zinc/42/61/91/371426191.db2.gz FGSBJPFLGFZWMP-QJPTWQEYSA-N 1 0 225.332 1.449 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)[C@@H]1CC1(C)C ZINC000624239662 371428930 /nfs/dbraw/zinc/42/89/30/371428930.db2.gz QNBXBZRKFPTNRQ-NNYUYHANSA-N 1 0 227.348 1.551 10 0 BDAERO C[C@](F)(C[C@H]1COCC[NH2+]1)C1CCC1 ZINC000161702451 371555340 /nfs/dbraw/zinc/55/53/40/371555340.db2.gz SWXVLRREHGOOQX-QWRGUYRKSA-N 1 0 201.285 1.893 10 0 BDAERO O=C1CC=C[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000028571207 371615751 /nfs/dbraw/zinc/61/57/51/371615751.db2.gz WUVYENIUARJBNM-JLNYLFASSA-N 1 0 246.354 1.648 10 0 biogenic,in-vitro BDAERO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000215504435 371561683 /nfs/dbraw/zinc/56/16/83/371561683.db2.gz GINLVFREZSGMHJ-ZJUUUORDSA-N 1 0 228.336 1.899 10 0 BDAERO C[NH2+]C[C@H]1CCCO[C@@H]1c1cncs1 ZINC000161820159 371567042 /nfs/dbraw/zinc/56/70/42/371567042.db2.gz ZWTBILQLUMFRBL-SCZZXKLOSA-N 1 0 212.318 1.830 10 0 BDAERO CCNC(=O)O[C@H]1CCCCC[C@H]1[NH3+] ZINC000131757092 371667237 /nfs/dbraw/zinc/66/72/37/371667237.db2.gz XSPATETUUWAUPD-BDAKNGLRSA-N 1 0 200.282 1.393 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1C(=O)c1cncnc1 ZINC000226475058 371673491 /nfs/dbraw/zinc/67/34/91/371673491.db2.gz QAGIQMHJLVKMSO-UWVGGRQHSA-N 1 0 205.261 1.177 10 0 BDAERO Cc1nc(CC(=O)[C@H]2CCC[C@@H]2[NH3+])cs1 ZINC000226486827 371677918 /nfs/dbraw/zinc/67/79/18/371677918.db2.gz ZYFJQTUGLJBLOI-UWVGGRQHSA-N 1 0 224.329 1.691 10 0 BDAERO C[C@H]1CCC[N@H+](CC(=O)c2ccc[nH]2)C1 ZINC000028659676 371631285 /nfs/dbraw/zinc/63/12/85/371631285.db2.gz HJYPQQZACIJHQK-JTQLQIEISA-N 1 0 206.289 1.929 10 0 BDAERO CC(=O)[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226671951 371721020 /nfs/dbraw/zinc/72/10/20/371721020.db2.gz ISPPTNRIBYTGNY-HRDYMLBCSA-N 1 0 201.335 1.790 10 0 BDAERO O=C1CCC[C@@H]1C[N@H+]1CCC[C@@H](CO)C1 ZINC000227049562 371773561 /nfs/dbraw/zinc/77/35/61/371773561.db2.gz DKNJIDIUTOYUCN-GHMZBOCLSA-N 1 0 211.305 1.060 10 0 BDAERO C[C@@H]1CCS[C@@]2(CC[C@@H](C)OC2)[NH2+]1 ZINC000401668411 371798095 /nfs/dbraw/zinc/79/80/95/371798095.db2.gz PPYSJXGLIZZNMG-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]1[C@H](C)SCCN1CC1([NH3+])CC1 ZINC000132488831 371836121 /nfs/dbraw/zinc/83/61/21/371836121.db2.gz NTNNFRURRBHVQK-BDAKNGLRSA-N 1 0 200.351 1.304 10 0 BDAERO C[C@H]1CC[NH2+]C[C@@H]1OCc1nccs1 ZINC000230197471 371869433 /nfs/dbraw/zinc/86/94/33/371869433.db2.gz NHEDICVZNCEXKK-IUCAKERBSA-N 1 0 212.318 1.658 10 0 BDAERO COC[C@H](C)[NH2+][C@H]1C[C@@H]1NC(=O)OC(C)(C)C ZINC000227556873 371890340 /nfs/dbraw/zinc/89/03/40/371890340.db2.gz NSJVAVIVLXXRST-GUBZILKMSA-N 1 0 244.335 1.277 10 0 BDAERO CC[C@H]1CN(C[C@@H]2CCC[NH2+]2)CCS1 ZINC000133028797 371974807 /nfs/dbraw/zinc/97/48/07/371974807.db2.gz INXUJPYUDHLMIN-QWRGUYRKSA-N 1 0 214.378 1.566 10 0 BDAERO CN(C(=O)C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000231488646 372038812 /nfs/dbraw/zinc/03/88/12/372038812.db2.gz WGJKSXAVTHBKLZ-SSDOTTSWSA-N 1 0 224.226 1.149 10 0 BDAERO C[C@@H]([NH3+])[C@@](C)(O)c1ccc(F)cc1F ZINC000306595402 372041258 /nfs/dbraw/zinc/04/12/58/372041258.db2.gz KZGNPZJZLVXWAL-LHLIQPBNSA-N 1 0 201.216 1.520 10 0 BDAERO Cc1nc(NC[C@H](C)[NH3+])ncc1Br ZINC000306666002 372051999 /nfs/dbraw/zinc/05/19/99/372051999.db2.gz YXKGWDBTXUUQIH-YFKPBYRVSA-N 1 0 245.124 1.307 10 0 BDAERO C[C@@H]1CCS[C@@]2(CCOC2(C)C)[NH2+]1 ZINC000307369825 372115395 /nfs/dbraw/zinc/11/53/95/372115395.db2.gz REYAQZONZZMTLV-PSASIEDQSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]([N@H+](C)[C@@H]1CCCOC1)C(C)(C)O ZINC000306779802 372067335 /nfs/dbraw/zinc/06/73/35/372067335.db2.gz ZALFZFKSTPIEHH-NXEZZACHSA-N 1 0 201.310 1.257 10 0 BDAERO CC(C)[S@@](=O)N1CCCCC[C@@H]1[NH3+] ZINC000306813255 372070234 /nfs/dbraw/zinc/07/02/34/372070234.db2.gz CLVQCLFSLJUKIL-NOZJJQNGSA-N 1 0 204.339 1.219 10 0 BDAERO CC1(C)SC[C@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000307167973 372089245 /nfs/dbraw/zinc/08/92/45/372089245.db2.gz SYMYWBQYPSWNIN-XHNCKOQMSA-N 1 0 201.335 1.383 10 0 BDAERO COc1ccc(CC2CC(C[NH3+])(CO)C2)cc1 ZINC000606302074 372092147 /nfs/dbraw/zinc/09/21/47/372092147.db2.gz ABQWAVDPPUWDLH-UHFFFAOYSA-N 1 0 235.327 1.585 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(CO)o1 ZINC000164562897 372164054 /nfs/dbraw/zinc/16/40/54/372164054.db2.gz NIYNWKJKXPXIIO-LLVKDONJSA-N 1 0 227.304 1.269 10 0 BDAERO C[C@@H]1[C@H](C)OC[C@]12[NH2+]C(C)(C)CS2 ZINC000405563848 372171129 /nfs/dbraw/zinc/17/11/29/372171129.db2.gz ZLCUYUYSCACSEI-KHQFGBGNSA-N 1 0 201.335 1.853 10 0 BDAERO O=C(C1CCC1)N1CCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000037915684 181867394 /nfs/dbraw/zinc/86/73/94/181867394.db2.gz KWAYMHISQWRVGA-STQMWFEESA-N 1 0 236.359 1.777 10 0 BDAERO Cc1nnc(N2CC[C@H]([NH3+])C2(C)C)s1 ZINC000307486476 372123116 /nfs/dbraw/zinc/12/31/16/372123116.db2.gz BBLRNYZHJBNACD-ZETCQYMHSA-N 1 0 212.322 1.163 10 0 BDAERO C[NH2+]CC[S@](=O)COCc1ccccc1 ZINC000307473962 372123787 /nfs/dbraw/zinc/12/37/87/372123787.db2.gz INWNMKKEEZSOHC-HNNXBMFYSA-N 1 0 227.329 1.129 10 0 BDAERO C[C@H]1CN(Cc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000631838328 372630991 /nfs/dbraw/zinc/63/09/91/372630991.db2.gz MBTKSTBJAZVMSZ-ONGXEEELSA-N 1 0 240.297 1.991 10 0 BDAERO CC(C)n1ccc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841160 372638675 /nfs/dbraw/zinc/63/86/75/372638675.db2.gz YYBGFOJQDGTUAY-NEPJUHHUSA-N 1 0 236.363 1.491 10 0 BDAERO O=C(COC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000095072895 181998528 /nfs/dbraw/zinc/99/85/28/181998528.db2.gz BLILRZDKGKMEBI-SECBINFHSA-N 1 0 209.245 1.088 10 0 BDAERO O=C(CSC1CCCC1)N1CC[NH2+]CC1 ZINC000062830756 182007831 /nfs/dbraw/zinc/00/78/31/182007831.db2.gz CNHVHZYXBCJPPM-UHFFFAOYSA-N 1 0 228.361 1.094 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NCC1CCCC1 ZINC000054290773 182018900 /nfs/dbraw/zinc/01/89/00/182018900.db2.gz URQPLIUHTJPNEH-LBPRGKRZSA-N 1 0 224.348 1.683 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000246272772 182027524 /nfs/dbraw/zinc/02/75/24/182027524.db2.gz LXUWOXNCZMUWDS-FRRDWIJNSA-N 1 0 236.359 1.777 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccncc1 ZINC000054305683 182028424 /nfs/dbraw/zinc/02/84/24/182028424.db2.gz OAUBHMCOIFTPKT-SNVBAGLBSA-N 1 0 219.288 1.410 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCC1CCC1 ZINC000054305967 182028734 /nfs/dbraw/zinc/02/87/34/182028734.db2.gz CFBKSCFSERQJFD-LLVKDONJSA-N 1 0 210.321 1.292 10 0 BDAERO O=C(Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000034117018 182035593 /nfs/dbraw/zinc/03/55/93/182035593.db2.gz MVXFDDDSTKREQR-UHFFFAOYSA-N 1 0 221.275 1.937 10 0 BDAERO O=C(N1Cc2ccccc2C1)N1CC[NH2+]CC1 ZINC000050910764 182081979 /nfs/dbraw/zinc/08/19/79/182081979.db2.gz SNIXLSYCMMDNRT-UHFFFAOYSA-N 1 0 231.299 1.027 10 0 BDAERO O=C(NC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000090289117 182119162 /nfs/dbraw/zinc/11/91/62/182119162.db2.gz HIPUYFQLYDCXFB-UHFFFAOYSA-N 1 0 244.216 1.407 10 0 BDAERO CCCCNC(=O)C[NH2+]C1(C(C)C)CC1 ZINC000339520010 168845249 /nfs/dbraw/zinc/84/52/49/168845249.db2.gz XGRJMUFAWZCHHP-UHFFFAOYSA-N 1 0 212.337 1.681 10 0 BDAERO O=C(NCC1CCC1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037180809 182143942 /nfs/dbraw/zinc/14/39/42/182143942.db2.gz HYWWRGMLOVFWEN-FRRDWIJNSA-N 1 0 236.359 1.823 10 0 BDAERO CCC[C@H](C)C(=O)N1CC[C@@H](C)[C@H]([NH3+])C1 ZINC000069718956 373645272 /nfs/dbraw/zinc/64/52/72/373645272.db2.gz QTGZHUOWYCTDCZ-OUAUKWLOSA-N 1 0 212.337 1.618 10 0 BDAERO C[C@H]1CCN(C(=O)C2CCCCC2)C[C@H]1[NH3+] ZINC000069718913 373646293 /nfs/dbraw/zinc/64/62/93/373646293.db2.gz PNZYAKYYQMDAJK-CMPLNLGQSA-N 1 0 224.348 1.762 10 0 BDAERO Nc1cc[nH+]cc1[C@H](O)CC(F)(F)F ZINC000069844758 373876328 /nfs/dbraw/zinc/87/63/28/373876328.db2.gz PTUZTNRZZVEYDP-SSDOTTSWSA-N 1 0 206.167 1.650 10 0 BDAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])C(F)F ZINC000143048444 374131082 /nfs/dbraw/zinc/13/10/82/374131082.db2.gz AQKPVSIGYILOHM-RXMQYKEDSA-N 1 0 210.224 1.104 10 0 BDAERO Nc1ncccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000070321547 374138160 /nfs/dbraw/zinc/13/81/60/374138160.db2.gz NZTRUYQMMXTTIS-CYBMUJFWSA-N 1 0 225.295 1.899 10 0 BDAERO C[C@@H]1CSC(NCc2nccn2C)=[NH+]1 ZINC000070853995 374206050 /nfs/dbraw/zinc/20/60/50/374206050.db2.gz FWVOZEUDPKCQCO-SSDOTTSWSA-N 1 0 210.306 1.001 10 0 BDAERO C[C@@H]1C[NH+]=C(NCc2nccn2C)S1 ZINC000070853978 374206527 /nfs/dbraw/zinc/20/65/27/374206527.db2.gz SVSHECNODVMXTJ-SSDOTTSWSA-N 1 0 210.306 1.001 10 0 BDAERO C[NH2+][C@@H](C)c1csc(=NC(=O)OC)[nH]1 ZINC000070885583 374224742 /nfs/dbraw/zinc/22/47/42/374224742.db2.gz YRHPIPLHXWMLNK-YFKPBYRVSA-N 1 0 215.278 1.602 10 0 BDAERO CCN(c1nc(C)cs1)[C@@H]1CC[NH2+]C1 ZINC000070901257 374226103 /nfs/dbraw/zinc/22/61/03/374226103.db2.gz KFPBMUKDPKVNEW-SECBINFHSA-N 1 0 211.334 1.640 10 0 BDAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000246239673 374226317 /nfs/dbraw/zinc/22/63/17/374226317.db2.gz IWQRMGKXBGYCTB-CHWSQXEVSA-N 1 0 222.332 1.696 10 0 BDAERO O=C(NCc1ccco1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019481567 182263572 /nfs/dbraw/zinc/26/35/72/182263572.db2.gz CCVQUYYBNBBVEO-WCFLWFBJSA-N 1 0 248.326 1.817 10 0 BDAERO O=C(Nc1ccc(Cl)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434291 182354355 /nfs/dbraw/zinc/35/43/55/182354355.db2.gz SCPFTWOXWUFQQC-ZJUUUORDSA-N 1 0 240.690 1.001 10 0 BDAERO CC[C@@H]([NH2+][C@H](C)CC(=O)NC)C(C)(C)C ZINC000167377247 206144278 /nfs/dbraw/zinc/14/42/78/206144278.db2.gz SJUFZDJCFDHKSG-NXEZZACHSA-N 1 0 214.353 1.925 10 0 BDAERO O=C(Nc1cc(F)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000062112195 182350210 /nfs/dbraw/zinc/35/02/10/182350210.db2.gz UTDNGENMGJLAST-SSDOTTSWSA-N 1 0 226.226 1.513 10 0 BDAERO O=C(Nc1cccnc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000037019948 182385590 /nfs/dbraw/zinc/38/55/90/182385590.db2.gz JRDMLRIXFZCUFR-VIFPVBQESA-N 1 0 239.706 1.816 10 0 BDAERO O=C(Nc1ccncc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171807148 182386877 /nfs/dbraw/zinc/38/68/77/182386877.db2.gz KLILGEKVELMDDS-GFCCVEGCSA-N 1 0 246.314 1.394 10 0 BDAERO O=C(Nc1ncccn1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019480673 182401001 /nfs/dbraw/zinc/40/10/01/182401001.db2.gz WRCHPGOAZMBLTB-VWYCJHECSA-N 1 0 246.314 1.336 10 0 BDAERO O=C([O-])[C@@H](CC[NH+]1CCCCCC1)[NH2+]C1CC1 ZINC000062441214 182500357 /nfs/dbraw/zinc/50/03/57/182500357.db2.gz KEXDGUKBMQXJBT-GFCCVEGCSA-N 1 0 240.347 1.458 10 0 BDAERO O=C(c1cn[nH]c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916775 182697450 /nfs/dbraw/zinc/69/74/50/182697450.db2.gz WMTYDINHGLAELQ-JQWIXIFHSA-N 1 0 248.330 1.014 10 0 BDAERO CCCCO[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000037093335 168911351 /nfs/dbraw/zinc/91/13/51/168911351.db2.gz SXDKKRLXFOBLAT-GHMZBOCLSA-N 1 0 229.320 1.426 10 0 BDAERO O=[S@@](C[C@H]1CC[NH2+]C1)c1nc2ccccc2[nH]1 ZINC000095073678 182962981 /nfs/dbraw/zinc/96/29/81/182962981.db2.gz VTSJQGDZZZBXKR-HUTHGQBESA-N 1 0 249.339 1.280 10 0 BDAERO O=c1ccccn1CC[NH2+]C1CCCC1 ZINC000049948394 183002133 /nfs/dbraw/zinc/00/21/33/183002133.db2.gz GFFADZIYTNEIHQ-UHFFFAOYSA-N 1 0 206.289 1.381 10 0 BDAERO OC1(CC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000333107407 183016280 /nfs/dbraw/zinc/01/62/80/183016280.db2.gz RGPQNNZASKNUJW-NSHDSACASA-N 1 0 235.331 1.504 10 0 BDAERO OC1(C[NH2+]C[C@H]2CCOC2)CCCCCC1 ZINC000038094536 183020295 /nfs/dbraw/zinc/02/02/95/183020295.db2.gz AJPPWLXSDKJCGB-GFCCVEGCSA-N 1 0 227.348 1.698 10 0 BDAERO OCC1(Nc2ccccc2F)CC[NH2+]CC1 ZINC000040695536 183039655 /nfs/dbraw/zinc/03/96/55/183039655.db2.gz JYZBLUWAQRNZLZ-UHFFFAOYSA-N 1 0 224.279 1.352 10 0 BDAERO OCCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336649034 183052775 /nfs/dbraw/zinc/05/27/75/183052775.db2.gz HINGOTSQAAOZAL-GHMZBOCLSA-N 1 0 203.301 1.877 10 0 BDAERO OCC[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336652651 183095355 /nfs/dbraw/zinc/09/53/55/183095355.db2.gz XCYFZGYRCVGXNK-NWDGAFQWSA-N 1 0 213.321 1.117 10 0 BDAERO CCCC[C@H](N[C@H]1CCO[C@@H]1C)C(=O)OC ZINC000300006797 169013476 /nfs/dbraw/zinc/01/34/76/169013476.db2.gz AOMLMSIFIFPBIR-VWYCJHECSA-N 1 0 229.320 1.485 10 0 BDAERO OC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCOC1 ZINC000063218346 183105468 /nfs/dbraw/zinc/10/54/68/183105468.db2.gz LYQZDVOHHGLSPY-ZIAGYGMSSA-N 1 0 235.327 1.216 10 0 BDAERO CCCCc1nc(Cl)c(C[NH2+][C@@H](C)CO)[nH]1 ZINC000083878468 169026849 /nfs/dbraw/zinc/02/68/49/169026849.db2.gz MTMXUBNCWBGFSD-QMMMGPOBSA-N 1 0 245.754 1.876 10 0 BDAERO OC[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)CCO1 ZINC000168587866 183126665 /nfs/dbraw/zinc/12/66/65/183126665.db2.gz NRDPDWDBLUAPKU-STQMWFEESA-N 1 0 233.311 1.019 10 0 BDAERO OC[C@@H]1C[N@H+](C[C@H]2Cc3ccccc32)CCO1 ZINC000168587778 183126697 /nfs/dbraw/zinc/12/66/97/183126697.db2.gz NRDPDWDBLUAPKU-OLZOCXBDSA-N 1 0 233.311 1.019 10 0 BDAERO OC[C@@H]1C[C@@H]2Cc3c4ccccc4[nH]c3C[N@@H+]2C1 ZINC000095828941 183130088 /nfs/dbraw/zinc/13/00/88/183130088.db2.gz HJLGUUVMFQJKHJ-GHMZBOCLSA-N 1 0 242.322 1.907 10 0 BDAERO OCc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)o1 ZINC000077897986 183165654 /nfs/dbraw/zinc/16/56/54/183165654.db2.gz MUNWQEJDWNLLIZ-NWDGAFQWSA-N 1 0 225.288 1.165 10 0 BDAERO O[C@@H](C[NH2+]C[C@H]1CCCOC1)c1cccs1 ZINC000038045493 183179460 /nfs/dbraw/zinc/17/94/60/183179460.db2.gz WULVUKNIVXHEQR-MNOVXSKESA-N 1 0 241.356 1.798 10 0 BDAERO CCCN(C(=O)c1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000037541627 169048228 /nfs/dbraw/zinc/04/82/28/169048228.db2.gz GMPLQICALMMIML-LLVKDONJSA-N 1 0 236.315 1.884 10 0 BDAERO O[C@@H](Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000041213793 183183897 /nfs/dbraw/zinc/18/38/97/183183897.db2.gz JNHOFNXVWNHXQM-OLZOCXBDSA-N 1 0 205.301 1.590 10 0 BDAERO O[C@@H](c1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000041248056 183184630 /nfs/dbraw/zinc/18/46/30/183184630.db2.gz OEUZDRCJDKHASP-QPUJVOFHSA-N 1 0 227.254 1.998 10 0 BDAERO O[C@@H](C[NH+]1CCCCCC1)c1cccnc1 ZINC000032013753 183175189 /nfs/dbraw/zinc/17/51/89/183175189.db2.gz UHYMIMUGDIKXDV-ZDUSSCGKSA-N 1 0 220.316 1.991 10 0 BDAERO O[C@@H]1CC[NH2+][C@H]1c1ccc(Br)cc1 ZINC000096987595 183202135 /nfs/dbraw/zinc/20/21/35/183202135.db2.gz OZIKCIQMGZHCET-ZJUUUORDSA-N 1 0 242.116 1.844 10 0 BDAERO CCC[N@H+](C)CC(=O)Nc1ccc(C)c(N)c1 ZINC000037273357 169075922 /nfs/dbraw/zinc/07/59/22/169075922.db2.gz SOCMDOUMFWBPLD-UHFFFAOYSA-N 1 0 235.331 1.858 10 0 BDAERO O[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1 ZINC000013916733 183186728 /nfs/dbraw/zinc/18/67/28/183186728.db2.gz CKDDUULIRPQPSS-QWHCGFSZSA-N 1 0 218.300 1.079 10 0 BDAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000054126915 183187956 /nfs/dbraw/zinc/18/79/56/183187956.db2.gz OWQXDIMTOXFOCO-QWHCGFSZSA-N 1 0 226.364 1.365 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(n2ccnc2)CC1 ZINC000121204326 183188306 /nfs/dbraw/zinc/18/83/06/183188306.db2.gz JOGYKNDUOBABNJ-UONOGXRCSA-N 1 0 249.358 1.824 10 0 BDAERO O[C@@H]1CCCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000049575086 183188475 /nfs/dbraw/zinc/18/84/75/183188475.db2.gz MWVJBBIPPPNWED-ZIAGYGMSSA-N 1 0 240.391 1.756 10 0 BDAERO CCC[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000127554721 169080966 /nfs/dbraw/zinc/08/09/66/169080966.db2.gz MNDWWYKHZLGIDI-UHFFFAOYSA-N 1 0 211.309 1.579 10 0 BDAERO O[C@H](C[NH2+]C1CC1)COc1ccccc1Cl ZINC000032099992 183222929 /nfs/dbraw/zinc/22/29/29/183222929.db2.gz XUCTWXMKRSBWHV-SNVBAGLBSA-N 1 0 241.718 1.832 10 0 BDAERO O[C@H](c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000036158969 183228316 /nfs/dbraw/zinc/22/83/16/183228316.db2.gz SRKNLOOZDMHLSC-GHMZBOCLSA-N 1 0 213.227 1.750 10 0 BDAERO O[C@H](c1cc(F)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000036158980 183228354 /nfs/dbraw/zinc/22/83/54/183228354.db2.gz HYIYCBIMDGPNAK-WDEREUQCSA-N 1 0 213.227 1.750 10 0 BDAERO O[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000051769859 183231611 /nfs/dbraw/zinc/23/16/11/183231611.db2.gz ROAMHHYVBVCDLY-KBPBESRZSA-N 1 0 235.327 1.959 10 0 BDAERO CCCN(C)c1nnc(C)c(C)c1C[NH3+] ZINC000040290378 169089654 /nfs/dbraw/zinc/08/96/54/169089654.db2.gz WUMWCMFLQKZJEP-UHFFFAOYSA-N 1 0 208.309 1.398 10 0 BDAERO O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CCCC1 ZINC000044115333 183214735 /nfs/dbraw/zinc/21/47/35/183214735.db2.gz ISMATWVWTRGZDQ-QWHCGFSZSA-N 1 0 203.285 1.741 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000037893144 183231936 /nfs/dbraw/zinc/23/19/36/183231936.db2.gz BVOFKSDXMBBSEQ-RYUDHWBXSA-N 1 0 213.321 1.449 10 0 BDAERO O[C@H]1CCC[C@H]1[NH2+]CCc1cccnc1 ZINC000037718329 183237928 /nfs/dbraw/zinc/23/79/28/183237928.db2.gz HRASUTFJLDODDI-NEPJUHHUSA-N 1 0 206.289 1.127 10 0 BDAERO 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/nfs/dbraw/zinc/26/45/45/169264545.db2.gz NGILVNNULNOAGQ-CYBMUJFWSA-N 1 0 221.300 1.656 10 0 BDAERO CCC[NH2+]C[C@H](O)c1ccc(OC)cc1OC ZINC000033468576 169265008 /nfs/dbraw/zinc/26/50/08/169265008.db2.gz JDIZUPAJIBBXDD-LBPRGKRZSA-N 1 0 239.315 1.737 10 0 BDAERO CCC[NH2+]Cc1cc(C(N)=O)ccc1F ZINC000020056598 169266067 /nfs/dbraw/zinc/26/60/67/169266067.db2.gz RVAIJOPHSXAUSA-UHFFFAOYSA-N 1 0 210.252 1.424 10 0 BDAERO c1ccc(CCNC2=[NH+]CCCS2)nc1 ZINC000020586278 183393134 /nfs/dbraw/zinc/39/31/34/183393134.db2.gz ULKBKQHFMKDKNV-UHFFFAOYSA-N 1 0 221.329 1.707 10 0 BDAERO c1ccc(CC[NH2+]C[C@H]2CCCO2)nc1 ZINC000020049558 183393955 /nfs/dbraw/zinc/39/39/55/183393955.db2.gz KLXKGULMKXCCSO-GFCCVEGCSA-N 1 0 206.289 1.393 10 0 BDAERO CCC[NH2+][C@@H](C)COCCOCCC ZINC000082528562 169275094 /nfs/dbraw/zinc/27/50/94/169275094.db2.gz UFHRFGKIVQBMBY-NSHDSACASA-N 1 0 203.326 1.818 10 0 BDAERO CCC[NH2+][C@@H]1CCC[C@H]1OCCOCC ZINC000044060456 169282331 /nfs/dbraw/zinc/28/23/31/169282331.db2.gz 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10 0 BDAERO c1cnc(OCCCC2CC[NH2+]CC2)nc1 ZINC000095092521 183482468 /nfs/dbraw/zinc/48/24/68/183482468.db2.gz GPYUJWOQOMHMFU-UHFFFAOYSA-N 1 0 221.304 1.635 10 0 BDAERO CCC[C@@H](C)[N@H+](C)CC[C@H]([NH2+]C1CC1)C(=O)[O-] ZINC000062450335 169364721 /nfs/dbraw/zinc/36/47/21/169364721.db2.gz HPHSBLJHJDSERG-PWSUYJOCSA-N 1 0 242.363 1.702 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@H](C)N(C)C[C@@H](C)C[NH3+] ZINC000042455856 169368440 /nfs/dbraw/zinc/36/84/40/169368440.db2.gz XWKKBQCBZGGERF-TUAOUCFPSA-N 1 0 243.395 1.206 10 0 BDAERO CCC[C@@H]([NH3+])c1noc([C@@H]2CCOC2)n1 ZINC000041052510 169394346 /nfs/dbraw/zinc/39/43/46/169394346.db2.gz GKNKJWFVZXWXJZ-HTQZYQBOSA-N 1 0 211.265 1.373 10 0 BDAERO Cc1cc(N)c(NC2=[NH+]CCN2)cc1C ZINC000034484073 259597496 /nfs/dbraw/zinc/59/74/96/259597496.db2.gz MKBUMMUZPCBNDJ-UHFFFAOYSA-N 1 0 204.277 1.257 10 0 BDAERO CCC[C@@H]([NH3+])[C@@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000054320093 169393151 /nfs/dbraw/zinc/39/31/51/169393151.db2.gz OHQNAIASECKDLS-ZIAGYGMSSA-N 1 0 241.423 1.918 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000336732169 169418811 /nfs/dbraw/zinc/41/88/11/169418811.db2.gz JFIPNFITSBVOAA-JHJVBQTASA-N 1 0 227.348 1.696 10 0 BDAERO CC(C)(C)OC(=O)N1CC2(C1)CCC[NH2+]CC2 ZINC000082327510 166645658 /nfs/dbraw/zinc/64/56/58/166645658.db2.gz PHOPIXRAZYQUHM-UHFFFAOYSA-N 1 0 240.347 1.997 10 0 BDAERO c1ncc(-c2noc([C@H]3CCC[NH2+]C3)n2)s1 ZINC000083126679 183540617 /nfs/dbraw/zinc/54/06/17/183540617.db2.gz QIVRGHNYWJJGTK-ZETCQYMHSA-N 1 0 236.300 1.660 10 0 BDAERO CCC[C@@]1(C(=O)N(C)[C@@H](C)COC)CC[NH2+]C1 ZINC000062895742 169460443 /nfs/dbraw/zinc/46/04/43/169460443.db2.gz CRFSQLBPWQOLHV-WCQYABFASA-N 1 0 242.363 1.260 10 0 BDAERO CCC[C@H]([NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC000036949901 169505438 /nfs/dbraw/zinc/50/54/38/169505438.db2.gz BFWJCFDPOBAOJL-VIFPVBQESA-N 1 0 220.272 1.817 10 0 BDAERO COCCCCCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000226326881 134360498 /nfs/dbraw/zinc/36/04/98/134360498.db2.gz GLSCHKJNYTWLRJ-GHMZBOCLSA-N 1 0 228.336 1.047 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000035766398 169649383 /nfs/dbraw/zinc/64/93/83/169649383.db2.gz CWSVCVXVEZMWJL-NSHDSACASA-N 1 0 210.321 1.530 10 0 BDAERO Cc1cnc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)s1 ZINC000226405221 134365630 /nfs/dbraw/zinc/36/56/30/134365630.db2.gz JFZKTSFIUPXCDF-IUCAKERBSA-N 1 0 239.344 1.195 10 0 BDAERO CC[N@@H+]1CC[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000226857802 134369942 /nfs/dbraw/zinc/36/99/42/134369942.db2.gz UOGVURCHMXHKEW-RYUDHWBXSA-N 1 0 212.337 1.049 10 0 BDAERO C[NH2+]C[C@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000069796931 383844879 /nfs/dbraw/zinc/84/48/79/383844879.db2.gz IHKBPCQCLHTOOZ-VXGBXAGGSA-N 1 0 205.305 1.294 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1=CCCC1 ZINC000401053536 383846029 /nfs/dbraw/zinc/84/60/29/383846029.db2.gz BYIFCRYJEJWGMB-GXSJLCMTSA-N 1 0 208.305 1.353 10 0 BDAERO O=C1NC=N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]12 ZINC000087489350 383847068 /nfs/dbraw/zinc/84/70/68/383847068.db2.gz UCMFKIXRJBDWLN-QWHCGFSZSA-N 1 0 243.310 1.035 10 0 BDAERO c1ccc2c(c1)OC[C@H]2[NH2+][C@@H]1CCOC1 ZINC000070068763 383860592 /nfs/dbraw/zinc/86/05/92/383860592.db2.gz WVGVSMMNJQMJBB-MWLCHTKSSA-N 1 0 205.257 1.499 10 0 BDAERO CC(C)(C)/C=C\C(=O)N1CCC[C@H]1C[NH3+] ZINC000309278115 383831311 /nfs/dbraw/zinc/83/13/11/383831311.db2.gz MPYJNGGXVBGHEB-GFVADAIESA-N 1 0 210.321 1.538 10 0 BDAERO COC[C@]1(C(=O)N2CCCCCC2)CCC[NH2+]1 ZINC000643613743 383994187 /nfs/dbraw/zinc/99/41/87/383994187.db2.gz BWEHGOFMIKQNIU-ZDUSSCGKSA-N 1 0 240.347 1.158 10 0 BDAERO C[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000643614384 383997291 /nfs/dbraw/zinc/99/72/91/383997291.db2.gz UYKHIGNKEXXLJU-AAEUAGOBSA-N 1 0 248.326 1.100 10 0 BDAERO [NH3+]Cc1cccc2[nH]c(Br)nc21 ZINC000089195005 383941928 /nfs/dbraw/zinc/94/19/28/383941928.db2.gz UNBMNFOIXASLIV-UHFFFAOYSA-N 1 0 226.077 1.784 10 0 BDAERO [NH3+][C@H](c1ccc(Cl)s1)[C@H]1COCCO1 ZINC000055298935 383968708 /nfs/dbraw/zinc/96/87/08/383968708.db2.gz WHTRFPPYDZVQRB-MUWHJKNJSA-N 1 0 233.720 1.817 10 0 BDAERO C[C@H]1[C@@H]([NH3+])CCCN1Cc1ccccc1 ZINC000068592955 384001554 /nfs/dbraw/zinc/00/15/54/384001554.db2.gz WLYLYILTBJZATP-AAEUAGOBSA-N 1 0 204.317 1.998 10 0 BDAERO Cc1cc(C)cc(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000643615176 384016934 /nfs/dbraw/zinc/01/69/34/384016934.db2.gz DRMFPJFGABHRIT-LBPRGKRZSA-N 1 0 248.326 1.478 10 0 BDAERO Cc1cc(N[C@@H]2CCC[NH2+]C2)nc(Cl)n1 ZINC000073734846 384020160 /nfs/dbraw/zinc/02/01/60/384020160.db2.gz NKQFWYCQLRDVCV-MRVPVSSYSA-N 1 0 226.711 1.602 10 0 BDAERO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]C[C@@H]1CCCO1 ZINC000071792717 384003450 /nfs/dbraw/zinc/00/34/50/384003450.db2.gz GKTMCVSDINGPBO-VOAKCMCISA-N 1 0 207.317 1.967 10 0 BDAERO [NH3+][C@@H]1CN(C(=O)Oc2ccccc2)CC12CC2 ZINC000090411590 384047929 /nfs/dbraw/zinc/04/79/29/384047929.db2.gz ZNEKCVPQWWZGEM-LLVKDONJSA-N 1 0 232.283 1.609 10 0 BDAERO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)[C@@H]1CCCCO1 ZINC000309400477 384032282 /nfs/dbraw/zinc/03/22/82/384032282.db2.gz HHKPKFWIVDQBOD-VOAKCMCISA-N 1 0 226.364 1.484 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000035677057 384089091 /nfs/dbraw/zinc/08/90/91/384089091.db2.gz PHQQZCQFDTVJTI-BYPYZUCNSA-N 1 0 205.055 1.001 10 0 BDAERO C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000035760325 384102850 /nfs/dbraw/zinc/10/28/50/384102850.db2.gz LFOUHGIOMOQDRD-SECBINFHSA-N 1 0 211.286 1.125 10 0 BDAERO [NH3+][C@H]1C[C@H](c2ccco2)Cc2n[nH]cc21 ZINC000072415350 384104393 /nfs/dbraw/zinc/10/43/93/384104393.db2.gz PERGNHOCPRRMEC-CBAPKCEASA-N 1 0 203.245 1.733 10 0 BDAERO Cn1c(=O)sc2c1[C@@H](C[NH+](C)C)CCC2 ZINC000039110911 384105541 /nfs/dbraw/zinc/10/55/41/384105541.db2.gz WKDCZNKMPNGPKN-MRVPVSSYSA-N 1 0 226.345 1.428 10 0 BDAERO COc1ccc(C[C@@H]2C[NH2+]CCN2)cc1C ZINC000039110257 384106647 /nfs/dbraw/zinc/10/66/47/384106647.db2.gz BWZQFKWZXXKFMY-GFCCVEGCSA-N 1 0 220.316 1.108 10 0 BDAERO C[C@@H](NC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733559 384135054 /nfs/dbraw/zinc/13/50/54/384135054.db2.gz INTVECXUDRCWHR-ZJUUUORDSA-N 1 0 225.361 1.793 10 0 BDAERO [NH3+]CCn1ccc2ccc3c(c21)CCO3 ZINC000091362195 384120643 /nfs/dbraw/zinc/12/06/43/384120643.db2.gz PBRPKUDKLHWZSU-UHFFFAOYSA-N 1 0 202.257 1.535 10 0 BDAERO C[C@H](NC[C@H]1CC[NH2+]C1)c1nccs1 ZINC000070634493 384127831 /nfs/dbraw/zinc/12/78/31/384127831.db2.gz BRXGKRMKDTYYFJ-IUCAKERBSA-N 1 0 211.334 1.403 10 0 BDAERO Cc1ccncc1NC1CC[NH+](C)CC1 ZINC000070957650 384144039 /nfs/dbraw/zinc/14/40/39/384144039.db2.gz PGHDKIGOOFLSCA-UHFFFAOYSA-N 1 0 205.305 1.896 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000401853126 384145103 /nfs/dbraw/zinc/14/51/03/384145103.db2.gz VSKWSGSVINBFTA-JHJVBQTASA-N 1 0 227.348 1.506 10 0 BDAERO CCCc1nsc(N2C[C@H]([NH3+])C[C@H]2C)n1 ZINC000385019271 384177280 /nfs/dbraw/zinc/17/72/80/384177280.db2.gz WNJZSIDEALDGKR-HTQZYQBOSA-N 1 0 226.349 1.417 10 0 BDAERO FC1(F)CN(C[C@H]2CCC[NH2+]C2)CC1(F)F ZINC000313276102 384204625 /nfs/dbraw/zinc/20/46/25/384204625.db2.gz BMVMVFYTXLCEQA-QMMMGPOBSA-N 1 0 240.244 1.572 10 0 BDAERO Fc1cccc(Cl)c1NC1C[NH2+]C1 ZINC000135245098 384191804 /nfs/dbraw/zinc/19/18/04/384191804.db2.gz QWYCUUBSUGDNQO-UHFFFAOYSA-N 1 0 200.644 1.863 10 0 BDAERO COC(OC)c1ccnn1-c1cc[nH+]cc1 ZINC000072190444 384197808 /nfs/dbraw/zinc/19/78/08/384197808.db2.gz YYXJQZCISROBSV-UHFFFAOYSA-N 1 0 219.244 1.559 10 0 BDAERO N[C@@H](C[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000072200990 384199700 /nfs/dbraw/zinc/19/97/00/384199700.db2.gz HEEMGQNZJGFHRD-QMMMGPOBSA-N 1 0 220.194 1.544 10 0 BDAERO Clc1cncnc1NCC[C@@H]1CCC[NH2+]C1 ZINC000163681511 384231282 /nfs/dbraw/zinc/23/12/82/384231282.db2.gz WLSJYIIFOBMXKP-VIFPVBQESA-N 1 0 240.738 1.932 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000227932504 134399581 /nfs/dbraw/zinc/39/95/81/134399581.db2.gz QFTYJILPBQEILE-WOPDTQHZSA-N 1 0 213.321 1.306 10 0 BDAERO CC[S@@](=O)Cc1nccn1C(C)C ZINC000133298965 384238306 /nfs/dbraw/zinc/23/83/06/384238306.db2.gz YHILATUCDGHUMQ-ZDUSSCGKSA-N 1 0 200.307 1.733 10 0 BDAERO CC[C@@H]([NH3+])CNc1nc2ccccc2o1 ZINC000082579289 384243069 /nfs/dbraw/zinc/24/30/69/384243069.db2.gz TVTHOXZHDPOQEQ-MRVPVSSYSA-N 1 0 205.261 1.977 10 0 BDAERO CCOCCN1CC[N@@H+]([C@@H](C)COC)C[C@@H]1C ZINC000173679571 384245494 /nfs/dbraw/zinc/24/54/94/384245494.db2.gz DKUNCNXXBDIEHI-STQMWFEESA-N 1 0 244.379 1.064 10 0 BDAERO O=C1CC[NH2+]C[C@@H]1c1cc2cc[nH]c2cn1 ZINC000074115629 384273294 /nfs/dbraw/zinc/27/32/94/384273294.db2.gz IYYZJGKIPNAHHD-SECBINFHSA-N 1 0 215.256 1.209 10 0 BDAERO COc1nccc2sc(CC[NH3+])nc21 ZINC000074155298 384275610 /nfs/dbraw/zinc/27/56/10/384275610.db2.gz RFINNUKEWMZMCE-UHFFFAOYSA-N 1 0 209.274 1.201 10 0 BDAERO C[NH+]([C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@H]1O ZINC000230946206 259650318 /nfs/dbraw/zinc/65/03/18/259650318.db2.gz DCOWSAJHGYDKOR-FDYHWXHSSA-N 1 0 227.348 1.525 10 0 BDAERO Cc1cnc(N2CC[C@H](C[NH3+])C2)nc1Cl ZINC000095069319 384335513 /nfs/dbraw/zinc/33/55/13/384335513.db2.gz HUMXKQPUFTUZCI-MRVPVSSYSA-N 1 0 226.711 1.223 10 0 BDAERO Clc1ncc(CN[C@H]2CC[NH2+]C2)s1 ZINC000095070195 384337078 /nfs/dbraw/zinc/33/70/78/384337078.db2.gz JJWWLDVFHIWURB-LURJTMIESA-N 1 0 217.725 1.248 10 0 BDAERO CN(c1ncc(Cl)cn1)[C@H]1CCC[NH2+]C1 ZINC000095070558 384337474 /nfs/dbraw/zinc/33/74/74/384337474.db2.gz WOQSOWIJFOQKIM-VIFPVBQESA-N 1 0 226.711 1.318 10 0 BDAERO CN(Cc1nccnc1Cl)C1CC[NH2+]CC1 ZINC000095070742 384339146 /nfs/dbraw/zinc/33/91/46/384339146.db2.gz ARYSLSWGJZWMDW-UHFFFAOYSA-N 1 0 240.738 1.314 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)c1nc2ccccc2[nH]1 ZINC000095070980 384339207 /nfs/dbraw/zinc/33/92/07/384339207.db2.gz GBPZTIIGHCIADY-JTQLQIEISA-N 1 0 230.315 1.751 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1nccs1 ZINC000095070821 384339359 /nfs/dbraw/zinc/33/93/59/384339359.db2.gz LOGMIQXHTKYDNR-SECBINFHSA-N 1 0 211.334 1.721 10 0 BDAERO CN(C[C@H]1CCCC[NH2+]1)c1nc2cccnc2[nH]1 ZINC000095070847 384339456 /nfs/dbraw/zinc/33/94/56/384339456.db2.gz QWYXVYYCKHLWCX-SNVBAGLBSA-N 1 0 245.330 1.536 10 0 BDAERO CSc1nccnc1CN1CCC[C@H]1C[NH3+] ZINC000095071917 384341273 /nfs/dbraw/zinc/34/12/73/384341273.db2.gz YQKYVYUPLJYKAA-VIFPVBQESA-N 1 0 238.360 1.122 10 0 BDAERO C[NH2+][C@H]1CCCN(c2nc3cccnc3[nH]2)C1 ZINC000095071452 384341432 /nfs/dbraw/zinc/34/14/32/384341432.db2.gz KEMMLYFVHSCGGZ-VIFPVBQESA-N 1 0 231.303 1.146 10 0 BDAERO CC[C@H](C)[C@H](C)NC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643652433 384341873 /nfs/dbraw/zinc/34/18/73/384341873.db2.gz RVUOSRLHTVZLLJ-GVXVVHGQSA-N 1 0 242.363 1.306 10 0 BDAERO Nc1nc2ccccc2nc1N1CCC[NH2+]CC1 ZINC000095072166 384343173 /nfs/dbraw/zinc/34/31/73/384343173.db2.gz MRMBDWOKIZYNID-UHFFFAOYSA-N 1 0 243.314 1.012 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCc1ccccn1 ZINC000095072276 384343474 /nfs/dbraw/zinc/34/34/74/384343474.db2.gz LNIIYMZGKXCBNO-RYUDHWBXSA-N 1 0 205.305 1.441 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](Nc2ccncc2Cl)C1 ZINC000335583373 384345627 /nfs/dbraw/zinc/34/56/27/384345627.db2.gz WODALGJGUCMNIC-DTWKUNHWSA-N 1 0 225.723 1.696 10 0 BDAERO O=C(CNC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072794 384346073 /nfs/dbraw/zinc/34/60/73/384346073.db2.gz QUDXSGYNKGRTJO-JTQLQIEISA-N 1 0 222.288 1.052 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccncc2Cl)C1 ZINC000335583372 384346456 /nfs/dbraw/zinc/34/64/56/384346456.db2.gz WODALGJGUCMNIC-BDAKNGLRSA-N 1 0 225.723 1.696 10 0 BDAERO O=[S@@](C[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000095073552 384347362 /nfs/dbraw/zinc/34/73/62/384347362.db2.gz HYWHZXOPFZPGAD-WPPNPWJKSA-N 1 0 216.331 1.003 10 0 BDAERO O=[S@@](Cc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000095073631 384348231 /nfs/dbraw/zinc/34/82/31/384348231.db2.gz YRHPQAPWTTWONQ-ZBEGNZNMSA-N 1 0 238.356 1.330 10 0 BDAERO O=[S@](C[C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000095073597 384348258 /nfs/dbraw/zinc/34/82/58/384348258.db2.gz HVDSABVYZODSCJ-BMIGLBTASA-N 1 0 224.329 1.189 10 0 BDAERO O=[S@@](Cc1cccnc1)C[C@@H]1CCC[NH2+]C1 ZINC000095073633 384348385 /nfs/dbraw/zinc/34/83/85/384348385.db2.gz RBOGTFXHDYMKQG-MLGOLLRUSA-N 1 0 238.356 1.330 10 0 BDAERO O=[S@](C[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000095073479 384348596 /nfs/dbraw/zinc/34/85/96/384348596.db2.gz DWPRWQSTMGDGMA-BMIGLBTASA-N 1 0 224.329 1.331 10 0 BDAERO O=[S@@](Cc1ccccn1)C1CC[NH2+]CC1 ZINC000095073433 384348823 /nfs/dbraw/zinc/34/88/23/384348823.db2.gz ADEXREGNBCCLRK-OAHLLOKOSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@@](Cc1ccncc1)CC1CC[NH2+]CC1 ZINC000095073731 384349876 /nfs/dbraw/zinc/34/98/76/384349876.db2.gz BBEGHBCEDABEIY-MRXNPFEDSA-N 1 0 238.356 1.330 10 0 BDAERO FC(F)(F)N1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000095076994 384353851 /nfs/dbraw/zinc/35/38/51/384353851.db2.gz QISRZBIXGIQBQA-QMMMGPOBSA-N 1 0 222.254 1.970 10 0 BDAERO CSc1nccnc1C[N@@H+]1CCC[C@H]1CO ZINC000095076787 384353910 /nfs/dbraw/zinc/35/39/10/384353910.db2.gz MKOMQDNPPMABCI-VIFPVBQESA-N 1 0 239.344 1.155 10 0 BDAERO O=C(NC[C@H]1CC2CCC1CC2)[C@H]1CC[NH2+]C1 ZINC000335590795 384355575 /nfs/dbraw/zinc/35/55/75/384355575.db2.gz IYUXKKHDVKJGTL-IFWUJCSASA-N 1 0 236.359 1.538 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccn1 ZINC000335594233 384359498 /nfs/dbraw/zinc/35/94/98/384359498.db2.gz WHQGGZIDMPHXJF-VHSXEESVSA-N 1 0 219.288 1.408 10 0 BDAERO c1cnc(OCCC2CC[NH2+]CC2)nc1 ZINC000095092497 384360312 /nfs/dbraw/zinc/36/03/12/384360312.db2.gz QOEZOVFWZFEGIZ-UHFFFAOYSA-N 1 0 207.277 1.245 10 0 BDAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000120535859 384361033 /nfs/dbraw/zinc/36/10/33/384361033.db2.gz ZSOGDJUIPYEEJN-OUJBWJOFSA-N 1 0 243.314 1.721 10 0 BDAERO c1cnc(COCCC[C@H]2CCCC[NH2+]2)cn1 ZINC000095092588 384362307 /nfs/dbraw/zinc/36/23/07/384362307.db2.gz PATDPLMMRCEJPT-GFCCVEGCSA-N 1 0 235.331 1.916 10 0 BDAERO c1cnc(COCCC[C@@H]2CCC[NH2+]C2)cn1 ZINC000095092589 384362936 /nfs/dbraw/zinc/36/29/36/384362936.db2.gz DGUYKCUENIYCKH-LBPRGKRZSA-N 1 0 235.331 1.773 10 0 BDAERO NN1CC[NH+](CCCc2ccccc2)CC1 ZINC000075442925 384325147 /nfs/dbraw/zinc/32/51/47/384325147.db2.gz XVERLBHQOLCLDS-UHFFFAOYSA-N 1 0 219.332 1.111 10 0 BDAERO CC1(C)N(O)[N+](=O)[C@]1(C)Br ZINC000013783880 384373120 /nfs/dbraw/zinc/37/31/20/384373120.db2.gz CGJLFDXRWNCGDW-YFKPBYRVSA-N 1 0 209.043 1.363 10 0 BDAERO Cc1cc(C)nc(OCCC2CC[NH2+]CC2)n1 ZINC000095068898 384331580 /nfs/dbraw/zinc/33/15/80/384331580.db2.gz SZKJCHWYXILALI-UHFFFAOYSA-N 1 0 235.331 1.862 10 0 BDAERO Cc1cnc(N2CCC[C@@H]2C[NH3+])nc1Cl ZINC000095069323 384334075 /nfs/dbraw/zinc/33/40/75/384334075.db2.gz JONYLJTYLJDXPI-MRVPVSSYSA-N 1 0 226.711 1.366 10 0 BDAERO Clc1cc(NC[C@@H]2CC[NH2+]C2)ncn1 ZINC000095069821 384334216 /nfs/dbraw/zinc/33/42/16/384334216.db2.gz LVHVSNWENPWCMK-SSDOTTSWSA-N 1 0 212.684 1.151 10 0 BDAERO Cc1cnc(OC[C@@H]2CCCC[NH2+]2)nc1Cl ZINC000095069345 384334290 /nfs/dbraw/zinc/33/42/90/384334290.db2.gz NSUNVSCQESMCQT-VIFPVBQESA-N 1 0 241.722 1.959 10 0 BDAERO Cc1cc(Br)nc(C[NH3+])c1 ZINC000095766600 384394840 /nfs/dbraw/zinc/39/48/40/384394840.db2.gz LOPZKOUFDBDCMC-UHFFFAOYSA-N 1 0 201.067 1.611 10 0 BDAERO C[C@H](C[NH3+])Sc1nnc2ccccn21 ZINC000061407297 384426246 /nfs/dbraw/zinc/42/62/46/384426246.db2.gz ZZENIPKYZYDKIK-SSDOTTSWSA-N 1 0 208.290 1.169 10 0 BDAERO Nc1ccc2c(C3=CC[NH2+]CC3)c[nH]c2n1 ZINC000095936861 384414120 /nfs/dbraw/zinc/41/41/20/384414120.db2.gz TTXJTCWJNKJOFC-UHFFFAOYSA-N 1 0 214.272 1.522 10 0 BDAERO CC(=O)C[NH2+]CCC[C@@H](O)c1cccnc1 ZINC000095935481 384415038 /nfs/dbraw/zinc/41/50/38/384415038.db2.gz NYBIXXYPXGRYHS-GFCCVEGCSA-N 1 0 222.288 1.074 10 0 BDAERO C[N@@H+]([C@@H]1CCCC[C@H]1O)[C@H]1CCCC[C@H]1O ZINC000230946209 259650557 /nfs/dbraw/zinc/65/05/57/259650557.db2.gz DCOWSAJHGYDKOR-YVECIDJPSA-N 1 0 227.348 1.525 10 0 BDAERO CC(C)c1nc(Cl)c2c(n1)CC[NH2+]CC2 ZINC000095943632 384419825 /nfs/dbraw/zinc/41/98/25/384419825.db2.gz ZIBWQVQBXVXPBY-UHFFFAOYSA-N 1 0 225.723 1.942 10 0 BDAERO COCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084223555 384379377 /nfs/dbraw/zinc/37/93/77/384379377.db2.gz JYSZQLBDNCVPRU-DCAQKATOSA-N 1 0 201.310 1.162 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccccn1 ZINC000078614666 384452269 /nfs/dbraw/zinc/45/22/69/384452269.db2.gz PBGLPLUHILDQBQ-GFCCVEGCSA-N 1 0 249.358 1.788 10 0 BDAERO Cc1ccccc1OCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000643600674 384482430 /nfs/dbraw/zinc/48/24/30/384482430.db2.gz MJUSNYHFVFGXLD-NWDGAFQWSA-N 1 0 248.326 1.179 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000047864593 384484812 /nfs/dbraw/zinc/48/48/12/384484812.db2.gz AUHJBEGKYVQHAZ-NXEZZACHSA-N 1 0 206.289 1.472 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403065378 384458347 /nfs/dbraw/zinc/45/83/47/384458347.db2.gz DLPHAVXQOAEAFA-WYUUTHIRSA-N 1 0 224.348 1.666 10 0 BDAERO CC[N@H+](CCNCc1cnn(C)c1C)C1CC1 ZINC000161699852 384516417 /nfs/dbraw/zinc/51/64/17/384516417.db2.gz FRRDTHALIAWVFF-UHFFFAOYSA-N 1 0 236.363 1.302 10 0 BDAERO NC[C@]1([NH+]2CCCCC2)CCCSC1 ZINC000061589885 384520577 /nfs/dbraw/zinc/52/05/77/384520577.db2.gz UBGQVSBLTGKCSP-LLVKDONJSA-N 1 0 214.378 1.697 10 0 BDAERO CCn1cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cn1 ZINC000334746209 384533053 /nfs/dbraw/zinc/53/30/53/384533053.db2.gz PAZYXJNEQMXOCM-PWSUYJOCSA-N 1 0 223.320 1.106 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403118828 384543941 /nfs/dbraw/zinc/54/39/41/384543941.db2.gz MWIDHTUPHBCWEG-NWBUJAPZSA-N 1 0 236.359 1.679 10 0 BDAERO [NH3+]CCn1cc(-c2cccs2)ccc1=O ZINC000049817905 384568363 /nfs/dbraw/zinc/56/83/63/384568363.db2.gz VEILZMMJJSPNTE-UHFFFAOYSA-N 1 0 220.297 1.536 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403207803 384603784 /nfs/dbraw/zinc/60/37/84/384603784.db2.gz PBVINNOMPNIMER-KSSYENDESA-N 1 0 236.359 1.666 10 0 BDAERO COC[C@@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000103428364 384623228 /nfs/dbraw/zinc/62/32/28/384623228.db2.gz HWTNMLUCRHNOOU-GFCCVEGCSA-N 1 0 244.379 1.504 10 0 BDAERO C[NH2+][C@@H]1CCCN([C@@H](C)c2ccc[nH]2)C1 ZINC000100265984 384627808 /nfs/dbraw/zinc/62/78/08/384627808.db2.gz JYNWAUUYSQLSGC-WDEREUQCSA-N 1 0 207.321 1.760 10 0 BDAERO CC(=O)[C@@H](C[NH3+])Cc1cncc2ccccc21 ZINC000098096031 384593479 /nfs/dbraw/zinc/59/34/79/384593479.db2.gz HYXDEFPHSHBMOQ-GFCCVEGCSA-N 1 0 228.295 1.941 10 0 BDAERO CC(C)OCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000171497100 384594007 /nfs/dbraw/zinc/59/40/07/384594007.db2.gz PQSOXFZCLNSYDE-VXGBXAGGSA-N 1 0 215.337 1.911 10 0 BDAERO [NH3+]Cc1cc(I)cs1 ZINC000098095773 384593921 /nfs/dbraw/zinc/59/39/21/384593921.db2.gz PQFDLPUNQAGKST-UHFFFAOYSA-N 1 0 239.081 1.811 10 0 BDAERO CSCCC[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000308308985 384632123 /nfs/dbraw/zinc/63/21/23/384632123.db2.gz PXUJKWLNRORJAW-DTWKUNHWSA-N 1 0 207.314 1.144 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000309823339 384640508 /nfs/dbraw/zinc/64/05/08/384640508.db2.gz WVCKWFKUTASCGD-TUAOUCFPSA-N 1 0 222.332 1.552 10 0 BDAERO Fc1cc(F)c(N2CC[NH2+]CC2)c(F)c1 ZINC000082151836 384647436 /nfs/dbraw/zinc/64/74/36/384647436.db2.gz VXGQMYJMEDLZLB-UHFFFAOYSA-N 1 0 216.206 1.514 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H](c2ccc(C)cc2)C1 ZINC000082163229 384648692 /nfs/dbraw/zinc/64/86/92/384648692.db2.gz BQJVGLDXABJDHR-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000048775844 384675422 /nfs/dbraw/zinc/67/54/22/384675422.db2.gz TYKRZTSWXPQDML-SECBINFHSA-N 1 0 218.300 1.722 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1cc(Br)cs1 ZINC000043289788 384724142 /nfs/dbraw/zinc/72/41/42/384724142.db2.gz LSXYHZRCSZVUNF-CLZZGJSISA-N 1 0 236.134 1.891 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000054074570 384728104 /nfs/dbraw/zinc/72/81/04/384728104.db2.gz UXHOGEXIXRKUOA-LLVKDONJSA-N 1 0 247.342 1.833 10 0 BDAERO C[C@@H]1CN(c2ccc(N)cc2F)CC[N@@H+]1C ZINC000082477607 384686385 /nfs/dbraw/zinc/68/63/85/384686385.db2.gz YLNNSNXHIZHSBJ-SECBINFHSA-N 1 0 223.295 1.548 10 0 BDAERO c1ccc(OCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000051871003 384696208 /nfs/dbraw/zinc/69/62/08/384696208.db2.gz BEYZGRPOXIHHJY-NSHDSACASA-N 1 0 206.289 1.993 10 0 BDAERO Cc1ccc(OCC[C@H]2CCCC[NH2+]2)nn1 ZINC000051871451 384697054 /nfs/dbraw/zinc/69/70/54/384697054.db2.gz KEDUSBSYYPIVFK-LLVKDONJSA-N 1 0 221.304 1.696 10 0 BDAERO c1ccc2oc(OC[C@H]3CCC[NH2+]3)nc2c1 ZINC000051866441 384697469 /nfs/dbraw/zinc/69/74/69/384697469.db2.gz JXPOOMDQHOCCJO-SECBINFHSA-N 1 0 218.256 1.959 10 0 BDAERO Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)nn1 ZINC000051871450 384697578 /nfs/dbraw/zinc/69/75/78/384697578.db2.gz KEDUSBSYYPIVFK-NSHDSACASA-N 1 0 221.304 1.696 10 0 BDAERO Cc1cc(C)nc(OCC[C@H]2CCC[NH2+]C2)n1 ZINC000051918810 384701589 /nfs/dbraw/zinc/70/15/89/384701589.db2.gz GLCBXCSXSAGZOR-GFCCVEGCSA-N 1 0 235.331 1.862 10 0 BDAERO COC(=O)[C@H]1CC[NH2+][C@H]1c1ccc(OC)cc1 ZINC000051971716 384707485 /nfs/dbraw/zinc/70/74/85/384707485.db2.gz ZIFNSVMYHQPTFI-RYUDHWBXSA-N 1 0 235.283 1.519 10 0 BDAERO C[C@H](C[NH3+])Nc1cnc2ccccc2n1 ZINC000082576217 384773338 /nfs/dbraw/zinc/77/33/38/384773338.db2.gz VNGPMAOJCCVUCP-MRVPVSSYSA-N 1 0 202.261 1.389 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105075832 384746137 /nfs/dbraw/zinc/74/61/37/384746137.db2.gz DWHKJCDPOCSNMP-NWDGAFQWSA-N 1 0 241.379 1.767 10 0 BDAERO CC[C@@H](C)C[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000309721021 384770678 /nfs/dbraw/zinc/77/06/78/384770678.db2.gz WAPQZTORFBEGIW-KOLCDFICSA-N 1 0 222.336 1.537 10 0 BDAERO Cc1cc(Br)ccc1[C@H](N)C[NH3+] ZINC000072201227 384815830 /nfs/dbraw/zinc/81/58/30/384815830.db2.gz JRSNNRLUXPUAAS-SECBINFHSA-N 1 0 229.121 1.716 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC12CCOCC2 ZINC000309768874 384818638 /nfs/dbraw/zinc/81/86/38/384818638.db2.gz KCAXVDNCYJSTFC-TUAOUCFPSA-N 1 0 225.332 1.713 10 0 BDAERO CN(C(=O)[C@H]1CC12CC2)[C@@H]1CCC[NH2+]CC1 ZINC000335414854 384824749 /nfs/dbraw/zinc/82/47/49/384824749.db2.gz UAWXNKWIKSJHEE-GHMZBOCLSA-N 1 0 222.332 1.387 10 0 BDAERO COC(=O)c1coc(C[NH2+][C@H]2C[C@H]2C)c1 ZINC000126916307 384829911 /nfs/dbraw/zinc/82/99/11/384829911.db2.gz QJQGUDGFUIQCHU-XCBNKYQSSA-N 1 0 209.245 1.564 10 0 BDAERO CC[C@H](COC)[NH2+][C@H]1CCc2nccn2C1 ZINC000310022270 384790855 /nfs/dbraw/zinc/79/08/55/384790855.db2.gz NYEYBAFWLINVGF-MNOVXSKESA-N 1 0 223.320 1.213 10 0 BDAERO C[C@H]([NH2+]C(CO)CO)c1ccc(Cl)cc1 ZINC000083690584 384793771 /nfs/dbraw/zinc/79/37/71/384793771.db2.gz CCNNMWZGWNAFDJ-QMMMGPOBSA-N 1 0 229.707 1.344 10 0 BDAERO C[C@H]([NH3+])CC1CCN(c2ncccn2)CC1 ZINC000146577668 384799761 /nfs/dbraw/zinc/79/97/61/384799761.db2.gz GMBLAJJTTHUKDD-JTQLQIEISA-N 1 0 220.320 1.430 10 0 BDAERO CC(C)N1CCC[C@@]2(CCC[NH2+]C2)C1=O ZINC000023508819 384800089 /nfs/dbraw/zinc/80/00/89/384800089.db2.gz CNIBMTFKRZRKSX-GFCCVEGCSA-N 1 0 210.321 1.387 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cnnn1C ZINC000310040286 384809048 /nfs/dbraw/zinc/80/90/48/384809048.db2.gz XRUWTNHQLYMLSU-ZYHUDNBSSA-N 1 0 222.336 1.874 10 0 BDAERO C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)CC(F)F ZINC000648193785 384809404 /nfs/dbraw/zinc/80/94/04/384809404.db2.gz KTNIFBPVOFNUBF-NXEZZACHSA-N 1 0 248.317 1.926 10 0 BDAERO Cc1ccc(Cl)c([C@@H]([NH3+])CO)c1F ZINC000072197960 384809541 /nfs/dbraw/zinc/80/95/41/384809541.db2.gz YEKQUECRHCCQSS-ZETCQYMHSA-N 1 0 203.644 1.780 10 0 BDAERO C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)CC(F)F ZINC000648193966 384812153 /nfs/dbraw/zinc/81/21/53/384812153.db2.gz OXEYCVJIKCSYKW-SFYZADRCSA-N 1 0 220.263 1.003 10 0 BDAERO [NH3+][C@H](CO)c1c(F)cccc1C(F)(F)F ZINC000072198439 384813853 /nfs/dbraw/zinc/81/38/53/384813853.db2.gz YFEKUBJIKOECBB-SSDOTTSWSA-N 1 0 223.169 1.837 10 0 BDAERO Cc1cnc(-c2cccc(NC(=O)C[NH3+])c2)o1 ZINC000083908416 384814975 /nfs/dbraw/zinc/81/49/75/384814975.db2.gz LRUSRTAATNJTKK-UHFFFAOYSA-N 1 0 231.255 1.547 10 0 BDAERO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)co1 ZINC000186682802 384869958 /nfs/dbraw/zinc/86/99/58/384869958.db2.gz AYSYNJVRKPBSEZ-LBPRGKRZSA-N 1 0 234.299 1.508 10 0 BDAERO CSC1(C[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000336674261 384872894 /nfs/dbraw/zinc/87/28/94/384872894.db2.gz BCAIDDOKMGIMRX-SECBINFHSA-N 1 0 217.378 1.879 10 0 BDAERO C[NH2+][C@H]1CCc2cc3c(cc2C1)OCO3 ZINC000104830960 384847368 /nfs/dbraw/zinc/84/73/68/384847368.db2.gz MTRLJTZQUZHTJI-JTQLQIEISA-N 1 0 205.257 1.492 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000648209791 384853279 /nfs/dbraw/zinc/85/32/79/384853279.db2.gz CJTQPUKKWMALOR-HTAVTVPLSA-N 1 0 236.359 1.823 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000312893131 384858166 /nfs/dbraw/zinc/85/81/66/384858166.db2.gz ZYTGEPWXZYFGKP-KOLCDFICSA-N 1 0 243.738 1.382 10 0 BDAERO [NH3+][C@@H]1CN(CC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000301054826 384859377 /nfs/dbraw/zinc/85/93/77/384859377.db2.gz MCSNMEVYCLODDS-GHMZBOCLSA-N 1 0 244.260 1.975 10 0 BDAERO Fc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000258926610 384952291 /nfs/dbraw/zinc/95/22/91/384952291.db2.gz OXRUYBIPTNCYJS-NSHDSACASA-N 1 0 208.280 1.525 10 0 BDAERO CC(C)[C@@H]([NH3+])[C@H](O)c1ccc(F)cc1F ZINC000071519245 384953221 /nfs/dbraw/zinc/95/32/21/384953221.db2.gz FWYGAVTYEINBSY-GHMZBOCLSA-N 1 0 215.243 1.982 10 0 BDAERO CC[C@@H]([NH3+])CNc1cncc(Br)c1 ZINC000300812762 384953549 /nfs/dbraw/zinc/95/35/49/384953549.db2.gz YOUVAAVEQCJMMR-MRVPVSSYSA-N 1 0 244.136 1.993 10 0 BDAERO [NH3+][C@H]1COc2ccc(Br)cc2[C@@H]1O ZINC000084789328 384898032 /nfs/dbraw/zinc/89/80/32/384898032.db2.gz WEWKHRKAWHKZLM-CBAPKCEASA-N 1 0 244.088 1.202 10 0 BDAERO CSCCC[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000309921927 384913413 /nfs/dbraw/zinc/91/34/13/384913413.db2.gz SNZMTDVFLRTBEV-JTQLQIEISA-N 1 0 242.388 1.530 10 0 BDAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000106423992 384917858 /nfs/dbraw/zinc/91/78/58/384917858.db2.gz HFJLFTWZDCLHLZ-CQSZACIVSA-N 1 0 246.354 1.782 10 0 BDAERO c1coc(-c2noc([C@H]3C[NH2+]CCOC3)n2)c1 ZINC000644512945 384924431 /nfs/dbraw/zinc/92/44/31/384924431.db2.gz NMDKYJNSHUYJLN-QMMMGPOBSA-N 1 0 235.243 1.033 10 0 BDAERO C[C@@H]([NH3+])CCNc1cc(NC2CC2)ncn1 ZINC000258693553 384932662 /nfs/dbraw/zinc/93/26/62/384932662.db2.gz QLSATDXDTWXAMF-MRVPVSSYSA-N 1 0 221.308 1.200 10 0 BDAERO Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)n1 ZINC000164260189 384948193 /nfs/dbraw/zinc/94/81/93/384948193.db2.gz PJHQPBRPWHWNSS-CMPLNLGQSA-N 1 0 223.320 1.061 10 0 BDAERO C[C@@H](COCc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000307331281 384989077 /nfs/dbraw/zinc/98/90/77/384989077.db2.gz OUQTXTGZWHSVPA-GXTWGEPZSA-N 1 0 234.343 1.543 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000404427522 384995552 /nfs/dbraw/zinc/99/55/52/384995552.db2.gz IZOKTJUESPDGNI-RKDXNWHRSA-N 1 0 212.318 1.536 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)sn1 ZINC000404460703 385008560 /nfs/dbraw/zinc/00/85/60/385008560.db2.gz NXZGAULAFXGYFH-NXEZZACHSA-N 1 0 226.345 1.845 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)sn1 ZINC000404461174 385008840 /nfs/dbraw/zinc/00/88/40/385008840.db2.gz RKVMKPNJVVUXPL-WCBMZHEXSA-N 1 0 239.344 1.208 10 0 BDAERO CC(C)C1([NH2+]Cc2nnc3n2CCCC3)CC1 ZINC000339509995 385010378 /nfs/dbraw/zinc/01/03/78/385010378.db2.gz CQTLGEHXDNHXBO-UHFFFAOYSA-N 1 0 234.347 1.893 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)sn1 ZINC000404460704 385011141 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STWXCJXNMMLRBT-JQWIXIFHSA-N 1 0 220.316 1.910 10 0 BDAERO CC[C@H]1C[N@H+](C[C@](C)(O)CC)CCO1 ZINC000119403866 385095551 /nfs/dbraw/zinc/09/55/51/385095551.db2.gz OYJIGDJXTGFXRN-WDEREUQCSA-N 1 0 201.310 1.258 10 0 BDAERO CC(C)c1ccc(-n2nncc2C[NH3+])cc1 ZINC000062242564 385106803 /nfs/dbraw/zinc/10/68/03/385106803.db2.gz LQARWTHDIQWDJG-UHFFFAOYSA-N 1 0 216.288 1.849 10 0 BDAERO CO[C@H]1C[C@H](CO)[N@H+](CC2CCCC2)C1 ZINC000308827439 385194450 /nfs/dbraw/zinc/19/44/50/385194450.db2.gz IJHDYAUMEYSXPN-NEPJUHHUSA-N 1 0 213.321 1.258 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC000647032854 385167539 /nfs/dbraw/zinc/16/75/39/385167539.db2.gz DAZZCVDVOAHXMZ-VIFPVBQESA-N 1 0 210.321 1.291 10 0 BDAERO Cn1cc([C@@H]2CCCN2Cc2cncn2C)cn1 ZINC000177047034 385171701 /nfs/dbraw/zinc/17/17/01/385171701.db2.gz IMXBPMMSFFKYHE-ZDUSSCGKSA-N 1 0 245.330 1.491 10 0 BDAERO C[NH+](C)CC(C)(C)CNC(=O)n1ccnc1 ZINC000032628585 385175861 /nfs/dbraw/zinc/17/58/61/385175861.db2.gz KHOVUPQEBJRXIY-UHFFFAOYSA-N 1 0 224.308 1.029 10 0 BDAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CC1 ZINC000177309026 385219764 /nfs/dbraw/zinc/21/97/64/385219764.db2.gz OOYMYIMGQPNHTH-AAEUAGOBSA-N 1 0 246.358 1.834 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000305804512 385230733 /nfs/dbraw/zinc/23/07/33/385230733.db2.gz YQDKGZNUOYOMLC-IRCOFANPSA-N 1 0 241.375 1.797 10 0 BDAERO COC[C@H](C)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000188581265 385240632 /nfs/dbraw/zinc/24/06/32/385240632.db2.gz BSGQMOJLZQNWHO-PWSUYJOCSA-N 1 0 229.320 1.296 10 0 BDAERO [NH3+]Cc1n[nH]c(=O)n1-c1cccc2ccccc21 ZINC000065436033 385312424 /nfs/dbraw/zinc/31/24/24/385312424.db2.gz RBMUYSGFFSLAQZ-UHFFFAOYSA-N 1 0 240.266 1.173 10 0 BDAERO C[C@@H]1CC[C@@H](NC(=O)CC(F)(F)F)C[NH2+]1 ZINC000164690514 385271409 /nfs/dbraw/zinc/27/14/09/385271409.db2.gz WNWMHHDNGQTNER-RNFRBKRXSA-N 1 0 224.226 1.196 10 0 BDAERO COC[C@]1(c2nc(-c3ccco3)no2)CCC[NH2+]1 ZINC000643937261 385299437 /nfs/dbraw/zinc/29/94/37/385299437.db2.gz WXUYCKGNCAYDRF-LBPRGKRZSA-N 1 0 249.270 1.555 10 0 BDAERO CC(C)(C)OC(=O)C1CC2(CC([NH3+])C2)C1 ZINC000400562132 385330466 /nfs/dbraw/zinc/33/04/66/385330466.db2.gz OHBXNZVZRBZTLW-UHFFFAOYSA-N 1 0 211.305 1.846 10 0 BDAERO Cc1ccc(O)c(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000131462408 385337534 /nfs/dbraw/zinc/33/75/34/385337534.db2.gz CMXQJJNMQROHPL-ZWNOBZJWSA-N 1 0 249.358 1.478 10 0 BDAERO CCCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247476417 385342750 /nfs/dbraw/zinc/34/27/50/385342750.db2.gz SEQJBBHINKAOJD-NEPJUHHUSA-N 1 0 224.348 1.872 10 0 BDAERO COc1ccc(C[NH2+]C[C@H](O)C(C)(C)C)cn1 ZINC000336702131 385349482 /nfs/dbraw/zinc/34/94/82/385349482.db2.gz LBAYYTBLGHQNSM-NSHDSACASA-N 1 0 238.331 1.587 10 0 BDAERO CC(C)C(=O)N1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000109430935 385410726 /nfs/dbraw/zinc/41/07/26/385410726.db2.gz RBEFZJFCQBFAMY-LBPRGKRZSA-N 1 0 240.347 1.012 10 0 BDAERO CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000234015227 259665370 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/nfs/dbraw/zinc/46/48/34/385464834.db2.gz RNLHBCRBJARCAF-LPEHRKFASA-N 1 0 208.305 1.030 10 0 BDAERO Cc1ccc([C@@H](C)NC(=O)C[NH+](C)C)o1 ZINC000171375884 385481316 /nfs/dbraw/zinc/48/13/16/385481316.db2.gz UBDMKOGCEQMNTE-SECBINFHSA-N 1 0 210.277 1.327 10 0 BDAERO N[C@]1(C(F)(F)F)CC[N@@H+]2CCC[C@@H]2C1 ZINC000157015175 385481796 /nfs/dbraw/zinc/48/17/96/385481796.db2.gz UASFPHYOTOWFDI-HTQZYQBOSA-N 1 0 208.227 1.504 10 0 BDAERO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CCF)C(N)=O ZINC000309351939 385543997 /nfs/dbraw/zinc/54/39/97/385543997.db2.gz NAJZVPZQACFDKD-NXEZZACHSA-N 1 0 230.327 1.616 10 0 BDAERO Cn1cc([C@H]2CCN(Cc3cscn3)C2)cn1 ZINC000172053177 385544391 /nfs/dbraw/zinc/54/43/91/385544391.db2.gz JLJHBTLUODBBRE-JTQLQIEISA-N 1 0 248.355 1.866 10 0 BDAERO CC1([NH3+])CCN(c2nc(C3CC3)ns2)CC1 ZINC000643029031 385523953 /nfs/dbraw/zinc/52/39/53/385523953.db2.gz GWSKFAVUMXHZDQ-UHFFFAOYSA-N 1 0 238.360 1.733 10 0 BDAERO Cc1cc(N2CCC(C)([NH3+])CC2)nc(C)n1 ZINC000643029111 385524601 /nfs/dbraw/zinc/52/46/01/385524601.db2.gz JDVNDAHSCLRSJO-UHFFFAOYSA-N 1 0 220.320 1.411 10 0 BDAERO CC(C)([NH3+])C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000309308038 385525597 /nfs/dbraw/zinc/52/55/97/385525597.db2.gz WETYVVFNXDSXKV-ZJUUUORDSA-N 1 0 210.321 1.515 10 0 BDAERO Cc1ccc2oc(N(C)CC[NH3+])nc2c1 ZINC000107197068 385557919 /nfs/dbraw/zinc/55/79/19/385557919.db2.gz VAUMIOUUJMONRT-UHFFFAOYSA-N 1 0 205.261 1.531 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000309399975 385562301 /nfs/dbraw/zinc/56/23/01/385562301.db2.gz WAPRJQZGPSKFAW-RYUDHWBXSA-N 1 0 229.364 1.534 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000054075421 385594625 /nfs/dbraw/zinc/59/46/25/385594625.db2.gz HAQACLHIAZVKHL-BDAKNGLRSA-N 1 0 226.345 1.875 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1(CO)COC1 ZINC000309468390 385596942 /nfs/dbraw/zinc/59/69/42/385596942.db2.gz QAXAHEVKNCIEAT-VXGBXAGGSA-N 1 0 227.348 1.554 10 0 BDAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1(CO)COC1 ZINC000309468389 385597241 /nfs/dbraw/zinc/59/72/41/385597241.db2.gz QAXAHEVKNCIEAT-RYUDHWBXSA-N 1 0 227.348 1.554 10 0 BDAERO CCCC(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000309476969 385603243 /nfs/dbraw/zinc/60/32/43/385603243.db2.gz SCRMHRJGJFUOMW-JQWIXIFHSA-N 1 0 210.321 1.516 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)[C@H]1CCCO1 ZINC000309446937 385586747 /nfs/dbraw/zinc/58/67/47/385586747.db2.gz PGIFTYGOMDDROI-WUHRBBMRSA-N 1 0 227.348 1.695 10 0 BDAERO COC[C@H](C)[NH2+][C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000309489155 385618594 /nfs/dbraw/zinc/61/85/94/385618594.db2.gz WMSRRNGDPZRONN-NNYUYHANSA-N 1 0 227.348 1.815 10 0 BDAERO C[C@H](CCC[NH3+])N=c1[nH]c2ccccc2[nH]1 ZINC000336683773 385669497 /nfs/dbraw/zinc/66/94/97/385669497.db2.gz ZKNVIDVRFZSABI-SECBINFHSA-N 1 0 218.304 1.524 10 0 BDAERO COC(=O)CCC[N@@H+]1CCS[C@@H](C)C1 ZINC000116392905 385732775 /nfs/dbraw/zinc/73/27/75/385732775.db2.gz ITSDYAOEBKHYMM-VIFPVBQESA-N 1 0 217.334 1.377 10 0 BDAERO CC(C)[C@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC000336696745 385745817 /nfs/dbraw/zinc/74/58/17/385745817.db2.gz YYALFNUOKROXSX-JTQLQIEISA-N 1 0 218.304 1.863 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)C1CC1 ZINC000122706676 385750405 /nfs/dbraw/zinc/75/04/05/385750405.db2.gz LTJCGRISOMYRFJ-PSASIEDQSA-N 1 0 206.293 1.501 10 0 BDAERO CC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186212024 385750704 /nfs/dbraw/zinc/75/07/04/385750704.db2.gz WTUIIMKLERGTIX-MNOVXSKESA-N 1 0 213.321 1.570 10 0 BDAERO c1snnc1C[NH2+]C[C@H]1CC12CCOCC2 ZINC000309650950 385770450 /nfs/dbraw/zinc/77/04/50/385770450.db2.gz XWABOKVYPRNKST-SECBINFHSA-N 1 0 239.344 1.444 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000309669785 385785237 /nfs/dbraw/zinc/78/52/37/385785237.db2.gz VOFMATZCYDGFQG-MXWKQRLJSA-N 1 0 223.320 1.211 10 0 BDAERO Cc1nc([C@H]([NH3+])C2(CO)CCC2)cs1 ZINC000306812374 385804932 /nfs/dbraw/zinc/80/49/32/385804932.db2.gz ZBGRNEQNSDMILW-VIFPVBQESA-N 1 0 212.318 1.614 10 0 BDAERO CC(C)[C@H](C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263295995 385808592 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COCc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000335482231 386709039 /nfs/dbraw/zinc/70/90/39/386709039.db2.gz CBCGKOHNGNSQTB-ZWNOBZJWSA-N 1 0 248.326 1.252 10 0 BDAERO Cc1nn(C)c(C)c1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000520565642 386694327 /nfs/dbraw/zinc/69/43/27/386694327.db2.gz RDGZWUMLCNSAEA-SKDRFNHKSA-N 1 0 236.363 1.837 10 0 BDAERO C[C@H](CN[C@H](C)c1cncs1)C[NH+](C)C ZINC000293338579 386816239 /nfs/dbraw/zinc/81/62/39/386816239.db2.gz GLHPESFARXANIO-NXEZZACHSA-N 1 0 227.377 1.991 10 0 BDAERO Cc1c(C[NH2+]C[C@]2(C)CCOC2)cnn1C ZINC000336671577 386819014 /nfs/dbraw/zinc/81/90/14/386819014.db2.gz HAMRBFOSGCZVOS-LBPRGKRZSA-N 1 0 223.320 1.245 10 0 BDAERO Cc1cnc(NC[C@H]([NH3+])C(C)C)nc1C ZINC000395312918 386811126 /nfs/dbraw/zinc/81/11/26/386811126.db2.gz HTKFQJPORHXYOC-JTQLQIEISA-N 1 0 208.309 1.489 10 0 BDAERO CC(C)C[C@H](C)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000336671870 386814612 /nfs/dbraw/zinc/81/46/12/386814612.db2.gz NUPHKRBXNALNAH-SDDRHHMPSA-N 1 0 226.364 1.925 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc2c[nH]nc2c1 ZINC000334845646 386895152 /nfs/dbraw/zinc/89/51/52/386895152.db2.gz ZQYXGWKDCVQFOI-JOYOIKCWSA-N 1 0 230.315 1.484 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2cn(C)nn2)C[C@H](C)O1 ZINC000341495907 386911481 /nfs/dbraw/zinc/91/14/81/386911481.db2.gz YVHFTNLMVPFZDV-UWVGGRQHSA-N 1 0 238.335 1.108 10 0 BDAERO Cn1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398791683 386993629 /nfs/dbraw/zinc/99/36/29/386993629.db2.gz NSINFBQYUAVVHN-QJPTWQEYSA-N 1 0 235.331 1.013 10 0 BDAERO O=C(c1ccco1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186518117 386994871 /nfs/dbraw/zinc/99/48/71/386994871.db2.gz BBXKDBIIXXLOFB-JTQLQIEISA-N 1 0 234.299 1.636 10 0 BDAERO O=C(c1cccnc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186537289 386995001 /nfs/dbraw/zinc/99/50/01/386995001.db2.gz WGQOPIZDIROMKV-LBPRGKRZSA-N 1 0 245.326 1.438 10 0 BDAERO Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)no1 ZINC000398817811 386999040 /nfs/dbraw/zinc/99/90/40/386999040.db2.gz XRLGGPWRUATJNX-GVXVVHGQSA-N 1 0 236.315 1.576 10 0 BDAERO CC[C@@H]1CS[C@@]2(CCC[NH2+]CC2)N1 ZINC000575575790 387004378 /nfs/dbraw/zinc/00/43/78/387004378.db2.gz NTCSWBWHMKXVBZ-NXEZZACHSA-N 1 0 200.351 1.571 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@H]2C1 ZINC000398686182 386949151 /nfs/dbraw/zinc/94/91/51/386949151.db2.gz BAANVMSCOCLEOQ-JHJVBQTASA-N 1 0 209.333 1.879 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2C1 ZINC000398877977 387013011 /nfs/dbraw/zinc/01/30/11/387013011.db2.gz GCHDLDHOXNTEBT-MGPQQGTHSA-N 1 0 239.359 1.506 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CC3(O)CCCC3)C[C@H]2C1 ZINC000398890959 387016103 /nfs/dbraw/zinc/01/61/03/387016103.db2.gz JMMGKRRFCGJZJV-JHJVBQTASA-N 1 0 239.359 1.384 10 0 BDAERO C[C@H]1SCC[C@@]1([NH3+])c1cncs1 ZINC000575456142 387027231 /nfs/dbraw/zinc/02/72/31/387027231.db2.gz CXNZVJOXBCDVLT-SVRRBLITSA-N 1 0 200.332 1.823 10 0 BDAERO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000246366601 387080075 /nfs/dbraw/zinc/08/00/75/387080075.db2.gz IYWCYZKBPGAPJJ-DCAQKATOSA-N 1 0 222.336 1.617 10 0 BDAERO CC(C)c1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)n[nH]1 ZINC000228343514 387082571 /nfs/dbraw/zinc/08/25/71/387082571.db2.gz GIYDVGSLPYDKRK-DTWKUNHWSA-N 1 0 236.319 1.599 10 0 BDAERO [NH3+]C1CC(O)(Cc2ccsc2Cl)C1 ZINC000575469785 387092486 /nfs/dbraw/zinc/09/24/86/387092486.db2.gz XNQLFLFRIXTJPZ-UHFFFAOYSA-N 1 0 217.721 1.796 10 0 BDAERO Cc1oncc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000336254898 387101127 /nfs/dbraw/zinc/10/11/27/387101127.db2.gz BTDBLWUIGQOZDZ-GZMMTYOYSA-N 1 0 210.277 1.328 10 0 BDAERO CC[C@@H](C)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186509382 387105886 /nfs/dbraw/zinc/10/58/86/387105886.db2.gz ZIOJNVRRQKVYEG-MNOVXSKESA-N 1 0 224.348 1.776 10 0 BDAERO C[C@@H]1C[C@@H]1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186518846 387107407 /nfs/dbraw/zinc/10/74/07/387107407.db2.gz FFLSGKBGWMXIEB-SCVCMEIPSA-N 1 0 222.332 1.385 10 0 BDAERO COc1cc(O)cc(OC)c1[C@H]([NH3+])CCF ZINC000575439421 387123302 /nfs/dbraw/zinc/12/33/02/387123302.db2.gz KEBKCWHNJYJKKC-MRVPVSSYSA-N 1 0 229.251 1.769 10 0 BDAERO C[NH+](C)CCNC1=[NH+]C(C)(C)CS1 ZINC000035294241 387068511 /nfs/dbraw/zinc/06/85/11/387068511.db2.gz LFKFUFSBUVSIIJ-UHFFFAOYSA-N 1 0 201.339 1.019 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC2CC2)C1 ZINC000057870321 387144493 /nfs/dbraw/zinc/14/44/93/387144493.db2.gz KKTGGZPAIODKJV-GFCCVEGCSA-N 1 0 239.363 1.522 10 0 BDAERO [NH3+]C[C@H]1c2ccccc2C(=O)N1CC1CC1 ZINC000536950341 387161959 /nfs/dbraw/zinc/16/19/59/387161959.db2.gz GQRFXXRTINDYKM-LBPRGKRZSA-N 1 0 216.284 1.552 10 0 BDAERO CC[C@@H]1CS[C@@]2(COC[C@@H]2CC)[NH2+]1 ZINC000575480346 387169188 /nfs/dbraw/zinc/16/91/88/387169188.db2.gz ITMBSXXGDAXIEF-IVZWLZJFSA-N 1 0 201.335 1.854 10 0 BDAERO COC(=O)[C@]1(C)CC[N@H+](C[C@@](C)(O)C(C)C)C1 ZINC000187167597 387173241 /nfs/dbraw/zinc/17/32/41/387173241.db2.gz HCWFMDPFMIKCSO-CHWSQXEVSA-N 1 0 243.347 1.278 10 0 BDAERO CC[C@@H]1COC[C@@]12[NH2+][C@@H](C)CCS2 ZINC000575481150 387173642 /nfs/dbraw/zinc/17/36/42/387173642.db2.gz NCANLMVQRFCUPV-AEJSXWLSSA-N 1 0 201.335 1.854 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2(CCO)CC2)[C@H]2CCO[C@H]21 ZINC000229689887 387191730 /nfs/dbraw/zinc/19/17/30/387191730.db2.gz SRPQXPVUBQRAHC-IJLUTSLNSA-N 1 0 239.359 1.552 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@@H]1C)C(C)C ZINC000247961198 387137025 /nfs/dbraw/zinc/13/70/25/387137025.db2.gz GFOIEJFWQJSVJS-MJBXVCDLSA-N 1 0 242.407 1.976 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)N(C)CC[N@H+](C)C2CC2)O1 ZINC000186805102 387141196 /nfs/dbraw/zinc/14/11/96/387141196.db2.gz IKGNCJDASUQZEA-PWSUYJOCSA-N 1 0 240.347 1.107 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](C/C=C/c2ccccc2)C1 ZINC000284493602 387203848 /nfs/dbraw/zinc/20/38/48/387203848.db2.gz GPJXKDGDMZDMEJ-YKHJJTLOSA-N 1 0 247.338 1.781 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccccc2C)C1 ZINC000284598862 387210146 /nfs/dbraw/zinc/21/01/46/387210146.db2.gz PSSUBKVEFJJQCB-UONOGXRCSA-N 1 0 235.327 1.577 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187791608 387213328 /nfs/dbraw/zinc/21/33/28/387213328.db2.gz 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388436861 /nfs/dbraw/zinc/43/68/61/388436861.db2.gz GEURDQFICHEROM-HNNXBMFYSA-N 1 0 249.354 1.794 10 0 BDAERO CC(C)C1([NH2+]Cc2ncnn2CCF)CC1 ZINC000339505716 388484128 /nfs/dbraw/zinc/48/41/28/388484128.db2.gz AQUSBNYDWBKDSV-UHFFFAOYSA-N 1 0 226.299 1.526 10 0 BDAERO Cc1ccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)cn1 ZINC000405690478 388487516 /nfs/dbraw/zinc/48/75/16/388487516.db2.gz KWWZJXDCTWXZDU-AAEUAGOBSA-N 1 0 220.316 1.735 10 0 BDAERO c1ncn(CC[NH2+][C@@H]2CCCC23CCCC3)n1 ZINC000340195611 388488415 /nfs/dbraw/zinc/48/84/15/388488415.db2.gz UBYWVIDTWGCYKH-GFCCVEGCSA-N 1 0 234.347 1.981 10 0 BDAERO c1ncn(CC[NH2+][C@H]2CCCC23CCCC3)n1 ZINC000340195622 388488482 /nfs/dbraw/zinc/48/84/82/388488482.db2.gz UBYWVIDTWGCYKH-LBPRGKRZSA-N 1 0 234.347 1.981 10 0 BDAERO [NH3+]C[C@H]1CCCN1c1ccnc2cccnc21 ZINC000341014575 388493772 /nfs/dbraw/zinc/49/37/72/388493772.db2.gz KVFAOFVOLPJAEX-SNVBAGLBSA-N 1 0 228.299 1.557 10 0 BDAERO c1cnc2c(c1)nccc2N[C@@H]1CCC[NH2+]C1 ZINC000341011432 388494551 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CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)[C@@H]1C[C@@H]1C ZINC000322196488 388667617 /nfs/dbraw/zinc/66/76/17/388667617.db2.gz QBMVGVMPXMCUPN-MTVMDMGHSA-N 1 0 224.348 1.678 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)C(C)C ZINC000248140990 388674191 /nfs/dbraw/zinc/67/41/91/388674191.db2.gz PPPRUVMMKSTMAS-XQQFMLRXSA-N 1 0 229.364 1.798 10 0 BDAERO CCOc1cccc(C2CC[NH2+]CC2)n1 ZINC000225273199 388678280 /nfs/dbraw/zinc/67/82/80/388678280.db2.gz ULJQTCTUYMKBRV-UHFFFAOYSA-N 1 0 206.289 1.947 10 0 BDAERO Clc1ccccc1CNC1=[NH+]CCN1 ZINC000114091103 388679417 /nfs/dbraw/zinc/67/94/17/388679417.db2.gz RRUAZGCMEWATRC-UHFFFAOYSA-N 1 0 209.680 1.389 10 0 BDAERO CC(C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246143976 388620525 /nfs/dbraw/zinc/62/05/25/388620525.db2.gz BLJJBPROLHWLLE-GHMZBOCLSA-N 1 0 227.352 1.423 10 0 BDAERO CCOC[C@H](C)[NH2+][C@H]1CCN(CC)C1 ZINC000328459132 388643570 /nfs/dbraw/zinc/64/35/70/388643570.db2.gz GNSMTAFLVXGFIF-QWRGUYRKSA-N 1 0 200.326 1.095 10 0 BDAERO CC[N@H+](CC(=O)N[C@@H](C)[C@H]1CCCO1)C1CC1 ZINC000247015237 388657700 /nfs/dbraw/zinc/65/77/00/388657700.db2.gz XQHGZZUHIIIJFY-CMPLNLGQSA-N 1 0 240.347 1.154 10 0 BDAERO C[C@@H]1CC[C@H](CC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000128351814 388750205 /nfs/dbraw/zinc/75/02/05/388750205.db2.gz YMNMIYSFVOHUGM-AGIUHOORSA-N 1 0 238.375 1.975 10 0 BDAERO [NH3+][C@@H]1CCO[C@H]1c1ccnn1CC1CC1 ZINC000399875511 388702824 /nfs/dbraw/zinc/70/28/24/388702824.db2.gz FPVNXBNJCSHELP-MWLCHTKSSA-N 1 0 207.277 1.082 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000249097552 388708790 /nfs/dbraw/zinc/70/87/90/388708790.db2.gz MNSOPDOFODBEKM-MGPQQGTHSA-N 1 0 242.407 1.977 10 0 BDAERO CC(C)OC(=O)NCC[N@H+](C)C1CCCC1 ZINC000127357336 388721932 /nfs/dbraw/zinc/72/19/32/388721932.db2.gz KGQCJXNXHMGFNJ-UHFFFAOYSA-N 1 0 228.336 1.995 10 0 BDAERO CC(C)OC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000127549580 388725773 /nfs/dbraw/zinc/72/57/73/388725773.db2.gz KHHIBOTUCKQEFR-JTQLQIEISA-N 1 0 214.309 1.557 10 0 BDAERO CC(C)(C)OC(=O)Nc1ccc(C(N)=[NH2+])nc1 ZINC000575459183 388802627 /nfs/dbraw/zinc/80/26/27/388802627.db2.gz ZXEILJQLNRUSLR-UHFFFAOYSA-N 1 0 236.275 1.713 10 0 BDAERO C[NH2+][C@H]1CO[C@@H](c2ncc(Cl)s2)C1 ZINC000575459256 388802792 /nfs/dbraw/zinc/80/27/92/388802792.db2.gz POCJCPQIMPUKJG-PHDIDXHHSA-N 1 0 218.709 1.846 10 0 BDAERO CN(C)c1ccc(C(=O)N(C)CCC[NH3+])cc1 ZINC000034963606 388803182 /nfs/dbraw/zinc/80/31/82/388803182.db2.gz IBANUHKDMLTLKB-UHFFFAOYSA-N 1 0 235.331 1.173 10 0 BDAERO C[C@@H]([C@H]1CCC[NH2+]1)n1nncc1Br ZINC000575459407 388804637 /nfs/dbraw/zinc/80/46/37/388804637.db2.gz ZKIDMUDRCYFSPO-NKWVEPMBSA-N 1 0 245.124 1.354 10 0 BDAERO COC[C@H]([NH3+])c1ncsc1Br ZINC000575461658 388810713 /nfs/dbraw/zinc/81/07/13/388810713.db2.gz XRKYNRPSHAIQSA-BYPYZUCNSA-N 1 0 237.122 1.552 10 0 BDAERO COC[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000228817674 388774141 /nfs/dbraw/zinc/77/41/41/388774141.db2.gz HQEUTENZITXBIR-IJLUTSLNSA-N 1 0 215.337 1.672 10 0 BDAERO CC[C@H]([NH3+])CNc1nc(C(F)(F)F)ns1 ZINC000228789946 388775197 /nfs/dbraw/zinc/77/51/97/388775197.db2.gz HZXRQFNFDCKMOE-BYPYZUCNSA-N 1 0 240.254 1.706 10 0 BDAERO [NH3+][C@@H](c1cncs1)[C@H]1CSCCO1 ZINC000575463794 388831616 /nfs/dbraw/zinc/83/16/16/388831616.db2.gz DOIOSMCHPRADQS-HTRCEHHLSA-N 1 0 216.331 1.275 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC000300579693 388836601 /nfs/dbraw/zinc/83/66/01/388836601.db2.gz HVIMETHNQDIENN-RNJOBUHISA-N 1 0 245.363 1.177 10 0 BDAERO CC(C)C[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232622807 388854973 /nfs/dbraw/zinc/85/49/73/388854973.db2.gz SYKOWODAMLDRGK-GMTAPVOTSA-N 1 0 212.337 1.393 10 0 BDAERO C[C@@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1cccnc1 ZINC000288799685 388873331 /nfs/dbraw/zinc/87/33/31/388873331.db2.gz RNPBSZCJZWRBQU-NQBHXWOUSA-N 1 0 247.342 1.647 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@]1(C)CO ZINC000555823493 388861925 /nfs/dbraw/zinc/86/19/25/388861925.db2.gz PYKVPCVSNUOHCE-CHWSQXEVSA-N 1 0 245.363 1.011 10 0 BDAERO CN(C)C1(C[NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC000304243942 388864045 /nfs/dbraw/zinc/86/40/45/388864045.db2.gz OOPHJGLKFJRXNX-NSHDSACASA-N 1 0 228.380 1.467 10 0 BDAERO C[C@H]1C[C@@]2(CC[NH2+]1)NC(C)(C)CS2 ZINC000575511826 389010515 /nfs/dbraw/zinc/01/05/15/389010515.db2.gz JQUUOTHALADLAD-WPRPVWTQSA-N 1 0 200.351 1.570 10 0 BDAERO C[C@H]1CS[C@]2(CC[NH2+]C(C)(C)C2)N1 ZINC000575512897 389010967 /nfs/dbraw/zinc/01/09/67/389010967.db2.gz UUVSYVBUBWCCJH-WPRPVWTQSA-N 1 0 200.351 1.570 10 0 BDAERO [NH3+]C[C@H]1CCN1[C@H]1CCCSCC1 ZINC000575513657 389017248 /nfs/dbraw/zinc/01/72/48/389017248.db2.gz DRKRHAOHQPLIMA-VHSXEESVSA-N 1 0 200.351 1.305 10 0 BDAERO Cc1ncnc(N2CCC(C[NH3+])CC2)c1C ZINC000045954847 132299063 /nfs/dbraw/zinc/29/90/63/132299063.db2.gz LHZASGZYWPZIRQ-UHFFFAOYSA-N 1 0 220.320 1.269 10 0 BDAERO C[C@@H]1CN(c2cccc(C[NH3+])n2)[C@H](C)CO1 ZINC000051396863 132360381 /nfs/dbraw/zinc/36/03/81/132360381.db2.gz VXOGYOPBNJQISI-NXEZZACHSA-N 1 0 221.304 1.154 10 0 BDAERO COC(=O)[C@H]1CCC[N@H+]1C[C@@H](OC)C1CC1 ZINC000400233644 533395338 /nfs/dbraw/zinc/39/53/38/533395338.db2.gz HURLQBRAWPIIKQ-GHMZBOCLSA-N 1 0 227.304 1.049 10 0 BDAERO C[NH2+]C[C@@H](C)C(=O)N1CCCc2c(N)cccc21 ZINC000126538648 132229829 /nfs/dbraw/zinc/22/98/29/132229829.db2.gz YLYVLQWJHJARBG-SNVBAGLBSA-N 1 0 247.342 1.404 10 0 BDAERO C[C@H]1NC(=[NH2+])NC(=N)N1c1cccc(Cl)c1 ZINC000013488368 132292984 /nfs/dbraw/zinc/29/29/84/132292984.db2.gz CXDXEQLVIUNPDR-LURJTMIESA-N 1 0 237.694 1.135 10 0 BDAERO CN1c2ccccc2[C@H](NCC[NH+](C)C)CC1=O ZINC000037184150 132295736 /nfs/dbraw/zinc/29/57/36/132295736.db2.gz MBMOSFMICRKJAF-GFCCVEGCSA-N 1 0 247.342 1.245 10 0 BDAERO CCCc1cc(N2CCC([NH3+])CC2)nc(CC)n1 ZINC000045951015 132299392 /nfs/dbraw/zinc/29/93/92/132299392.db2.gz VAZPZVHCDHKBAM-UHFFFAOYSA-N 1 0 248.374 1.919 10 0 BDAERO Cc1nc(N2CCCCC2)[nH+]c(NN)c1C ZINC000051153736 132300323 /nfs/dbraw/zinc/30/03/23/132300323.db2.gz ZNLAOXKSELSDMQ-UHFFFAOYSA-N 1 0 221.308 1.369 10 0 BDAERO Cc1nc(N2CCC(C)CC2)[nH+]c(NN)c1C ZINC000057331602 132300931 /nfs/dbraw/zinc/30/09/31/132300931.db2.gz WEBGXXZTLHSJLK-UHFFFAOYSA-N 1 0 235.335 1.615 10 0 BDAERO CCCc1nc2c(c(N3CC[NH2+]CC3)n1)CCC2 ZINC000057328700 132301138 /nfs/dbraw/zinc/30/11/38/132301138.db2.gz VIVBFUBADQURRV-UHFFFAOYSA-N 1 0 246.358 1.327 10 0 BDAERO CCCCC[NH+]1CCN(c2ccc(N)cn2)CC1 ZINC000011569053 132319709 /nfs/dbraw/zinc/31/97/09/132319709.db2.gz DYRNSFRWCFIHOK-UHFFFAOYSA-N 1 0 248.374 1.976 10 0 BDAERO CCOc1ccccc1N1CC[NH2+][C@H](C)C1 ZINC000016944727 132323441 /nfs/dbraw/zinc/32/34/41/132323441.db2.gz ULKHJFRQANODKV-LLVKDONJSA-N 1 0 220.316 1.883 10 0 BDAERO C[C@@H]1CN(c2cc(C[NH3+])ccn2)C[C@H](C)O1 ZINC000019258754 132324443 /nfs/dbraw/zinc/32/44/43/132324443.db2.gz XQGJZQMWOAJTNK-AOOOYVTPSA-N 1 0 221.304 1.154 10 0 BDAERO CC[C@H](C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000019403589 132324530 /nfs/dbraw/zinc/32/45/30/132324530.db2.gz XIEONGWSEGXCLQ-CYBMUJFWSA-N 1 0 233.359 1.546 10 0 BDAERO C[NH2+]CCN1CCN(c2cccc(C)c2)CC1 ZINC000020073037 132329362 /nfs/dbraw/zinc/32/93/62/132329362.db2.gz PWNSDMUQFYDGMQ-UHFFFAOYSA-N 1 0 233.359 1.336 10 0 BDAERO Cc1nnc(N2CC[NH2+]CC2)c2ccccc12 ZINC000021950195 132332062 /nfs/dbraw/zinc/33/20/62/132332062.db2.gz QPCBFQLBAQATFA-UHFFFAOYSA-N 1 0 228.299 1.348 10 0 BDAERO FC(F)(F)Oc1ccccc1N1CC[NH2+]CC1 ZINC000034434918 132336424 /nfs/dbraw/zinc/33/64/24/132336424.db2.gz NONHMRZXKRBXRX-UHFFFAOYSA-N 1 0 246.232 1.995 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000034823444 132336981 /nfs/dbraw/zinc/33/69/81/132336981.db2.gz PUCRIWYVAWFARD-LLVKDONJSA-N 1 0 220.316 1.631 10 0 BDAERO C[C@H]([NH3+])c1ccccc1N1CCC[C@H](C(N)=O)C1 ZINC000035438932 132338326 /nfs/dbraw/zinc/33/83/26/132338326.db2.gz IQCBZRNEZMRUHU-QWRGUYRKSA-N 1 0 247.342 1.408 10 0 BDAERO Cc1[nH+]c(N2CCCC[C@H]2CCO)ccc1N ZINC000036250952 132341848 /nfs/dbraw/zinc/34/18/48/132341848.db2.gz ZHLFKEAUKYQSQW-NSHDSACASA-N 1 0 235.331 1.714 10 0 BDAERO CC[C@@H]1CN(c2ccc(C[NH3+])cn2)CCO1 ZINC000036768890 132342531 /nfs/dbraw/zinc/34/25/31/132342531.db2.gz UVRRWZCSMLXBFC-LLVKDONJSA-N 1 0 221.304 1.156 10 0 BDAERO CC[C@@H]1CN(c2cc(C[NH3+])ccn2)CCO1 ZINC000036768892 132342588 /nfs/dbraw/zinc/34/25/88/132342588.db2.gz DSVASFPLTUQLLA-LLVKDONJSA-N 1 0 221.304 1.156 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037238941 132343839 /nfs/dbraw/zinc/34/38/39/132343839.db2.gz YFVYRFXGNALDMY-CMPLNLGQSA-N 1 0 248.326 1.455 10 0 BDAERO Fc1ccc(Cl)cc1N1CC[NH2+]CC1 ZINC000037483629 132344704 /nfs/dbraw/zinc/34/47/04/132344704.db2.gz FGFOOYFLDKFDAG-UHFFFAOYSA-N 1 0 214.671 1.889 10 0 BDAERO CC[N@H+](C)[C@@H]1Cc2ccccc2N(C)C1 ZINC000039105300 132346518 /nfs/dbraw/zinc/34/65/18/132346518.db2.gz DQTACQIFFZHMQB-GFCCVEGCSA-N 1 0 204.317 1.999 10 0 BDAERO CC1(C)COCCN1c1cc[nH+]cc1N ZINC000042461641 132352346 /nfs/dbraw/zinc/35/23/46/132352346.db2.gz NXVYKQXGXURWGY-UHFFFAOYSA-N 1 0 207.277 1.279 10 0 BDAERO CC[C@H]1CN(c2cc(N)cc[nH+]2)CCO1 ZINC000043568935 132353657 /nfs/dbraw/zinc/35/36/57/132353657.db2.gz UACXATRLEZSHQL-JTQLQIEISA-N 1 0 207.277 1.279 10 0 BDAERO CC1(C)COCCN1c1cc(N)cc[nH+]1 ZINC000043569086 132353721 /nfs/dbraw/zinc/35/37/21/132353721.db2.gz DLYMSQPMDPRTNM-UHFFFAOYSA-N 1 0 207.277 1.279 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1ccc(Cl)nn1 ZINC000044559502 132354483 /nfs/dbraw/zinc/35/44/83/132354483.db2.gz YBMZJRTVRAZTRB-MRVPVSSYSA-N 1 0 226.711 1.448 10 0 BDAERO COCc1ccccc1N1CCC([NH3+])CC1 ZINC000049508973 132356057 /nfs/dbraw/zinc/35/60/57/132356057.db2.gz HZNPIKJEQBBQSM-UHFFFAOYSA-N 1 0 220.316 1.761 10 0 BDAERO C[C@H]1CN(c2ccccc2F)CC[C@@H]1[NH3+] ZINC000049708715 132357199 /nfs/dbraw/zinc/35/71/99/132357199.db2.gz PEDPKBCEHULWCQ-ONGXEEELSA-N 1 0 208.280 1.999 10 0 BDAERO COc1cccc(N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049709817 132357379 /nfs/dbraw/zinc/35/73/79/132357379.db2.gz LMAYCZACOQHEBT-MFKMUULPSA-N 1 0 220.316 1.869 10 0 BDAERO CCc1cc(N)nc(N2CCCCC2)[nH+]1 ZINC000050846343 132359522 /nfs/dbraw/zinc/35/95/22/132359522.db2.gz YIAIZBKYEGGLMF-UHFFFAOYSA-N 1 0 206.293 1.612 10 0 BDAERO CCO[C@@H]1CCCN(c2ccnc(C[NH3+])c2)C1 ZINC000051398218 132360279 /nfs/dbraw/zinc/36/02/79/132360279.db2.gz USWVVJYSBAQUFL-CYBMUJFWSA-N 1 0 235.331 1.546 10 0 BDAERO [NH3+]Cc1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)nn1 ZINC000051397087 132360317 /nfs/dbraw/zinc/36/03/17/132360317.db2.gz MRWITBVAEBSQMC-NWDGAFQWSA-N 1 0 246.358 1.952 10 0 BDAERO CC[C@H]1COCCN1c1cccc(C[NH3+])n1 ZINC000051397044 132360467 /nfs/dbraw/zinc/36/04/67/132360467.db2.gz BVDVKXLSPGOCSQ-NSHDSACASA-N 1 0 221.304 1.156 10 0 BDAERO C[NH2+]Cc1ccc(N2CCCC[C@@H]2C)nn1 ZINC000051399457 132360669 /nfs/dbraw/zinc/36/06/69/132360669.db2.gz KWGFUYMCKQPABL-JTQLQIEISA-N 1 0 220.320 1.575 10 0 BDAERO CC[C@H]1CO[C@@H](C)CN1c1cc(C[NH2+]C)ccn1 ZINC000051518603 132361180 /nfs/dbraw/zinc/36/11/80/132361180.db2.gz QSIXRPSXWDXPST-AAEUAGOBSA-N 1 0 249.358 1.805 10 0 BDAERO Cc1ccc(C(N)=[NH2+])c(N2CCCC[C@@H]2CO)c1 ZINC000051579323 132361508 /nfs/dbraw/zinc/36/15/08/132361508.db2.gz VJPXSQBYZZHCMO-LLVKDONJSA-N 1 0 247.342 1.630 10 0 BDAERO [NH3+]CCc1ccc(N2CCCOC2=O)cc1 ZINC000051602208 132361642 /nfs/dbraw/zinc/36/16/42/132361642.db2.gz RJRVUBHDFKVYJU-UHFFFAOYSA-N 1 0 220.272 1.535 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ccc(C)nn1 ZINC000053706832 132363405 /nfs/dbraw/zinc/36/34/05/132363405.db2.gz OSCVJRCSYNYOHL-LLVKDONJSA-N 1 0 220.320 1.363 10 0 BDAERO C[C@H](C[NH3+])C(=O)N1CCSc2ccccc21 ZINC000054344694 132364095 /nfs/dbraw/zinc/36/40/95/132364095.db2.gz TWCUTKFCUXPMJZ-SECBINFHSA-N 1 0 236.340 1.720 10 0 BDAERO Cc1cc(F)ccc1N1CC[NH2+][C@H](C)C1 ZINC000054348266 132364130 /nfs/dbraw/zinc/36/41/30/132364130.db2.gz KOHNYSPLMZPKQN-SNVBAGLBSA-N 1 0 208.280 1.932 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1ccnc(C)n1 ZINC000054937713 132365303 /nfs/dbraw/zinc/36/53/03/132365303.db2.gz MQRAGVNKVHNYNB-LLVKDONJSA-N 1 0 220.320 1.363 10 0 BDAERO c1cnnc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063190566 132389526 /nfs/dbraw/zinc/38/95/26/132389526.db2.gz ULBAIZDZTFVVBC-NWDGAFQWSA-N 1 0 232.331 1.588 10 0 BDAERO COc1ccccc1N1CCC[C@H]([NH3+])C1=O ZINC000068575469 132390358 /nfs/dbraw/zinc/39/03/58/132390358.db2.gz USOYCZDVOSHASX-VIFPVBQESA-N 1 0 220.272 1.149 10 0 BDAERO CC[C@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732281 132427903 /nfs/dbraw/zinc/42/79/03/132427903.db2.gz GOOZUSNDYDIEAB-RYUDHWBXSA-N 1 0 234.347 1.834 10 0 BDAERO C[C@@H]1CN(c2ccccc2CC[NH3+])C[C@H](C)O1 ZINC000104268777 132435266 /nfs/dbraw/zinc/43/52/66/132435266.db2.gz KXCKSXRZRIXOKJ-TXEJJXNPSA-N 1 0 234.343 1.801 10 0 BDAERO CC[C@@H]1CN(c2ccc(CC[NH3+])cc2)CCO1 ZINC000104272303 132435761 /nfs/dbraw/zinc/43/57/61/132435761.db2.gz GEYHDBWDIBBQEQ-CQSZACIVSA-N 1 0 234.343 1.803 10 0 BDAERO C[C@H]1COCCN1c1ccc(CC[NH3+])cc1F ZINC000104268835 132435840 /nfs/dbraw/zinc/43/58/40/132435840.db2.gz IZMLHAOUQDKJRA-JTQLQIEISA-N 1 0 238.306 1.552 10 0 BDAERO CC[NH+](CC)CCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000157799526 133492396 /nfs/dbraw/zinc/49/23/96/133492396.db2.gz SFMFLENBGALHMR-UONOGXRCSA-N 1 0 240.391 1.972 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCC2CC2)C1 ZINC000083894349 133565127 /nfs/dbraw/zinc/56/51/27/133565127.db2.gz NOGMJHNLFLXLLK-QWRGUYRKSA-N 1 0 210.321 1.420 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000336216079 134136880 /nfs/dbraw/zinc/13/68/80/134136880.db2.gz AMTWTUVBZFJRNW-YGRLFVJLSA-N 1 0 245.326 1.908 10 0 BDAERO Cc1nccc(CNC[C@@H](C)[N@H+](C)C2CC2)n1 ZINC000217616167 134249473 /nfs/dbraw/zinc/24/94/73/134249473.db2.gz ORVLSELNEHKULY-SNVBAGLBSA-N 1 0 234.347 1.357 10 0 BDAERO C[Si](C)(C)C[N@@H+]1CCN2CCC[C@@H]2C1 ZINC000171746754 134260420 /nfs/dbraw/zinc/26/04/20/134260420.db2.gz ODKLZQQOLYFZTI-LLVKDONJSA-N 1 0 212.413 1.644 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171932119 134263085 /nfs/dbraw/zinc/26/30/85/134263085.db2.gz YFVPLSRQDPOMFE-CHWSQXEVSA-N 1 0 238.375 1.975 10 0 BDAERO O=C(NC1C[NH2+]C1)c1cc2c(s1)CCCC2 ZINC000085255463 134264504 /nfs/dbraw/zinc/26/45/04/134264504.db2.gz HBTWTHJUVHBMHU-UHFFFAOYSA-N 1 0 236.340 1.329 10 0 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ZINC000164258740 135218404 /nfs/dbraw/zinc/21/84/04/135218404.db2.gz JUNJCHHFFREYFA-LLVKDONJSA-N 1 0 238.375 1.881 10 0 BDAERO CC1(C)CN(C(=O)[C@@H]2CCCS2)CC[C@H]1[NH3+] ZINC000261578949 135220177 /nfs/dbraw/zinc/22/01/77/135220177.db2.gz MCBDTEHNSLIHMU-VHSXEESVSA-N 1 0 242.388 1.468 10 0 BDAERO CCC[NH2+]CCNc1nc([C@@H](C)OC)ns1 ZINC000261584164 135225103 /nfs/dbraw/zinc/22/51/03/135225103.db2.gz PNAKACXDFVVYAQ-MRVPVSSYSA-N 1 0 244.364 1.657 10 0 BDAERO C[C@H](C[NH3+])C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261587649 135228229 /nfs/dbraw/zinc/22/82/29/135228229.db2.gz RXEZHARFVUHHII-VWYCJHECSA-N 1 0 210.321 1.230 10 0 BDAERO CO[C@@H]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000261547698 135240833 /nfs/dbraw/zinc/24/08/33/135240833.db2.gz IOJCDBYJLXFNSN-GRYCIOLGSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@H](Cc1cccs1)NC(=O)C1C[NH2+]C1 ZINC000084409461 135246995 /nfs/dbraw/zinc/24/69/95/135246995.db2.gz ODLWALNAFKDISX-QMMMGPOBSA-N 1 0 224.329 1.015 10 0 BDAERO C[C@H]([NH3+])CC(=O)NCc1cnc2ccccc2c1 ZINC000261742094 135249019 /nfs/dbraw/zinc/24/90/19/135249019.db2.gz IMTMDVOJHIPKNP-JTQLQIEISA-N 1 0 243.310 1.588 10 0 BDAERO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc2c1NCC2 ZINC000261758838 135250488 /nfs/dbraw/zinc/25/04/88/135250488.db2.gz CSXRQLQTOPJOGC-BXUZGUMPSA-N 1 0 246.354 1.857 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000261893747 135261148 /nfs/dbraw/zinc/26/11/48/135261148.db2.gz CMTYZZGFLKNFOX-KBPBESRZSA-N 1 0 244.338 1.434 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262013709 135272796 /nfs/dbraw/zinc/27/27/96/135272796.db2.gz OIDXTCZPBZKSJO-JOYOIKCWSA-N 1 0 240.347 1.045 10 0 BDAERO O=C(NCC1(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000262221106 135285494 /nfs/dbraw/zinc/28/54/94/135285494.db2.gz KICCUAKGFIMJMY-UHFFFAOYSA-N 1 0 248.301 1.193 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC12CCC2 ZINC000262570626 135306304 /nfs/dbraw/zinc/30/63/04/135306304.db2.gz MUTVFRYIYLQLLI-VXGBXAGGSA-N 1 0 236.359 1.777 10 0 BDAERO CC/C=C(/C)c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263284661 135344549 /nfs/dbraw/zinc/34/45/49/135344549.db2.gz UUMDPUMCTFUXMN-BSKOKIOFSA-N 1 0 236.319 1.459 10 0 BDAERO CC1(C)C[C@H](NC(=O)C2C[NH2+]C2)c2ccccc21 ZINC000263322836 135346460 /nfs/dbraw/zinc/34/64/60/135346460.db2.gz RXPGWOQUHJDRKL-ZDUSSCGKSA-N 1 0 244.338 1.745 10 0 BDAERO O=C(NC[C@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000263333071 135347243 /nfs/dbraw/zinc/34/72/43/135347243.db2.gz VLHMBTOYRAFTET-LLVKDONJSA-N 1 0 230.311 1.052 10 0 BDAERO Cc1cnc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)nc1 ZINC000270273694 135365177 /nfs/dbraw/zinc/36/51/77/135365177.db2.gz KRJOWCRSAXSXAB-VXGBXAGGSA-N 1 0 234.347 1.926 10 0 BDAERO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@H](C)OC ZINC000299899588 135380596 /nfs/dbraw/zinc/38/05/96/135380596.db2.gz APSZPTHSFVAQGW-BFHYXJOUSA-N 1 0 240.391 1.970 10 0 BDAERO C[C@H]([NH3+])CCNc1nccc(C(F)(F)F)n1 ZINC000081586990 135387266 /nfs/dbraw/zinc/38/72/66/135387266.db2.gz XHOHTMUJSYJWRV-LURJTMIESA-N 1 0 234.225 1.645 10 0 BDAERO CC[C@@H]([NH3+])CNc1nccc(C(F)(F)F)n1 ZINC000081587099 135387336 /nfs/dbraw/zinc/38/73/36/135387336.db2.gz SYTHFVYJMQKMAC-ZCFIWIBFSA-N 1 0 234.225 1.645 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC1(O)CCC1 ZINC000335477053 135414536 /nfs/dbraw/zinc/41/45/36/135414536.db2.gz TURWUPNEMNTDAC-OLZOCXBDSA-N 1 0 238.375 1.460 10 0 BDAERO CC(C)CC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000082559344 135438943 /nfs/dbraw/zinc/43/89/43/135438943.db2.gz MTHQTESLGBYLCL-GRYCIOLGSA-N 1 0 226.364 1.783 10 0 BDAERO CCC[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000343368966 135448721 /nfs/dbraw/zinc/44/87/21/135448721.db2.gz JZRBCBAKCZGGJR-CMPLNLGQSA-N 1 0 223.320 1.497 10 0 BDAERO O=C(C1CC[NH2+]CC1)N1CCC[C@@H]1c1ccco1 ZINC000083906159 135460453 /nfs/dbraw/zinc/46/04/53/135460453.db2.gz DCTQHGTUUGKCIA-GFCCVEGCSA-N 1 0 248.326 1.943 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000085375374 135482567 /nfs/dbraw/zinc/48/25/67/135482567.db2.gz DGSNREQUHFCVLJ-RKDXNWHRSA-N 1 0 244.298 1.051 10 0 BDAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1 ZINC000088248061 135517824 /nfs/dbraw/zinc/51/78/24/135517824.db2.gz KRVAUQIYBWWULE-UHFFFAOYSA-N 1 0 245.257 1.932 10 0 BDAERO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1cccnc1 ZINC000089741472 135540379 /nfs/dbraw/zinc/54/03/79/135540379.db2.gz TYBTVKPJIFOVIF-GHMZBOCLSA-N 1 0 233.315 1.258 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000092055681 135570845 /nfs/dbraw/zinc/57/08/45/135570845.db2.gz ZORIKXWCBFGKDE-MGPQQGTHSA-N 1 0 240.391 1.733 10 0 BDAERO CC(C)(C)CCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335021696 135879527 /nfs/dbraw/zinc/87/95/27/135879527.db2.gz NMVUPGJZTWZCBJ-WDEREUQCSA-N 1 0 240.347 1.012 10 0 BDAERO O=S1(=O)CCC[C@H](CN2CCC[C@@H]2CF)C1 ZINC000335367570 136082042 /nfs/dbraw/zinc/08/20/42/136082042.db2.gz FIQUBLOGLXLBLZ-GHMZBOCLSA-N 1 0 249.351 1.245 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1CCSCC1 ZINC000335596252 136105090 /nfs/dbraw/zinc/10/50/90/136105090.db2.gz GPDWHEBRZMGYME-GXSJLCMTSA-N 1 0 242.388 1.386 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCN(C(C)C)CC1 ZINC000119404497 171178646 /nfs/dbraw/zinc/17/86/46/171178646.db2.gz ZGYSFCDSVZBZMY-GFCCVEGCSA-N 1 0 214.353 1.173 10 0 BDAERO CC(C)C[C@H](C)C[N@@H+]1CCO[C@H](CO)C1 ZINC000300887891 397780596 /nfs/dbraw/zinc/78/05/96/397780596.db2.gz JNWGTOHGCDKORD-RYUDHWBXSA-N 1 0 215.337 1.362 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C)CCO1 ZINC000616687322 397929344 /nfs/dbraw/zinc/92/93/44/397929344.db2.gz UPJHDEBSJWUMKM-JTQLQIEISA-N 1 0 244.335 1.532 10 0 BDAERO C[C@H]1C[C@@H](NC2=[NH+]CCCS2)CS1 ZINC000306873477 397931867 /nfs/dbraw/zinc/93/18/67/397931867.db2.gz XRXHLPFLVSJJDB-JGVFFNPUSA-N 1 0 216.375 1.963 10 0 BDAERO C[C@@H]1C[C@@H](NC2=[NH+]CCCS2)CS1 ZINC000306873476 397932202 /nfs/dbraw/zinc/93/22/02/397932202.db2.gz XRXHLPFLVSJJDB-HTQZYQBOSA-N 1 0 216.375 1.963 10 0 BDAERO [NH3+][C@]1(Cc2cnsn2)CCCSC1 ZINC000575470488 397954398 /nfs/dbraw/zinc/95/43/98/397954398.db2.gz RHSBFTWVGQRFNQ-QMMMGPOBSA-N 1 0 215.347 1.305 10 0 BDAERO CN1CCC[C@H]1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000649565928 397955067 /nfs/dbraw/zinc/95/50/67/397955067.db2.gz XUGPOWMXHPFVHN-RYUDHWBXSA-N 1 0 228.380 1.419 10 0 BDAERO C[C@]1(c2ccc(Br)cn2)C[C@@H]1[NH3+] ZINC000575500342 397967917 /nfs/dbraw/zinc/96/79/17/397967917.db2.gz QPJJQZWRTQVRBD-CBAPKCEASA-N 1 0 227.105 1.833 10 0 BDAERO CCC[C@H]1COC[C@@]12[NH2+]CCCS2 ZINC000575479720 397959415 /nfs/dbraw/zinc/95/94/15/397959415.db2.gz FJHGVQBJKPHHNF-UWVGGRQHSA-N 1 0 201.335 1.856 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@H]1CC[NH2+]CCO1 ZINC000616662675 397916950 /nfs/dbraw/zinc/91/69/50/397916950.db2.gz DBIWZCXYFQIGSD-SECBINFHSA-N 1 0 230.308 1.189 10 0 BDAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CCCCO1 ZINC000382206271 397921700 /nfs/dbraw/zinc/92/17/00/397921700.db2.gz UTESNBVYURFDPT-SDDRHHMPSA-N 1 0 229.364 1.941 10 0 BDAERO CC[C@@H]1C[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000389900954 397997864 /nfs/dbraw/zinc/99/78/64/397997864.db2.gz DBFFMSHGZYXXRH-GMTAPVOTSA-N 1 0 210.321 1.433 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000389044831 398010322 /nfs/dbraw/zinc/01/03/22/398010322.db2.gz RIOXVJCMPUUSLH-WOPDTQHZSA-N 1 0 242.363 1.291 10 0 BDAERO COc1cc(C)nc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383458811 398021192 /nfs/dbraw/zinc/02/11/92/398021192.db2.gz OGZFJDUDPMDJJY-SSDOTTSWSA-N 1 0 246.261 1.188 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1Cl ZINC000054074714 398023042 /nfs/dbraw/zinc/02/30/42/398023042.db2.gz LJYRRXUECCGGEW-SECBINFHSA-N 1 0 240.734 1.906 10 0 BDAERO Cc1cnccc1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000385220945 398037999 /nfs/dbraw/zinc/03/79/99/398037999.db2.gz ROXHFIBTOKAURY-OLZOCXBDSA-N 1 0 220.316 1.783 10 0 BDAERO CC[C@@H]1C[C@@]2(CO1)[NH2+][C@@H](C)CCS2 ZINC000575509997 397970319 /nfs/dbraw/zinc/97/03/19/397970319.db2.gz SEUQIMZLGKMGII-IVZWLZJFSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@]1(C[NH3+])CC[N@@H+]([C@@H]2CCSC2)C1 ZINC000307134795 397986586 /nfs/dbraw/zinc/98/65/86/397986586.db2.gz AJVFEOYLVBFUJG-NXEZZACHSA-N 1 0 200.351 1.163 10 0 BDAERO CN1CC[NH2+][C@@H](c2nccc3ccccc32)C1 ZINC000259683287 397987374 /nfs/dbraw/zinc/98/73/74/397987374.db2.gz ZDQWZUFVGDXFDV-CYBMUJFWSA-N 1 0 227.311 1.811 10 0 BDAERO C/C(=C\Cl)CN(C)C1CC[NH2+]CC1 ZINC000232008459 397989616 /nfs/dbraw/zinc/98/96/16/397989616.db2.gz SSYGEZZGWGJFSJ-VQHVLOKHSA-N 1 0 202.729 1.813 10 0 BDAERO C[NH2+][C@@H](C)c1nc(-c2cccs2)n[nH]1 ZINC000054700278 398070775 /nfs/dbraw/zinc/07/07/75/398070775.db2.gz ZPTASTDKPBCCNI-LURJTMIESA-N 1 0 208.290 1.814 10 0 BDAERO C[C@@H](CC(=O)N1CC([NH3+])C1)c1ccccc1 ZINC000409423455 398084793 /nfs/dbraw/zinc/08/47/93/398084793.db2.gz OGWDBSIVAADCKB-JTQLQIEISA-N 1 0 218.300 1.350 10 0 BDAERO COCc1nc2n(n1)CCC[C@H]2[NH2+]C(C)C ZINC000125791048 398096206 /nfs/dbraw/zinc/09/62/06/398096206.db2.gz BVEOVQYTRJEYIS-SECBINFHSA-N 1 0 224.308 1.257 10 0 BDAERO C[NH2+][C@H]1CCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000128942955 398098896 /nfs/dbraw/zinc/09/88/96/398098896.db2.gz NXURWNGEYOKXIL-LBPRGKRZSA-N 1 0 247.342 1.187 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)O1 ZINC000384898913 398116295 /nfs/dbraw/zinc/11/62/95/398116295.db2.gz MZSLAHNPFUXJAI-JCIQBVFBSA-N 1 0 240.347 1.186 10 0 BDAERO CCCN(CC(C)C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000309294018 398117889 /nfs/dbraw/zinc/11/78/89/398117889.db2.gz WRWZMHNEIPKRCE-VXGBXAGGSA-N 1 0 226.364 1.737 10 0 BDAERO C[NH2+]C[C@H]1C[C@H](F)CN1Cc1cc(C)no1 ZINC000381622096 398110487 /nfs/dbraw/zinc/11/04/87/398110487.db2.gz IUTYNNKAGWPTBU-VHSXEESVSA-N 1 0 227.283 1.115 10 0 BDAERO CCc1nnc(C[NH2+]C2(C3CCC3)CC2)n1C ZINC000649807825 398111810 /nfs/dbraw/zinc/11/18/10/398111810.db2.gz HJVNUSGRSGKODC-UHFFFAOYSA-N 1 0 234.347 1.800 10 0 BDAERO CC(C)[C@@](C)(CN)[N@@H+]1CCS[C@@H](C)C1 ZINC000220940035 398114379 /nfs/dbraw/zinc/11/43/79/398114379.db2.gz ZNCLRVZHRJTQGX-WDEREUQCSA-N 1 0 216.394 1.797 10 0 BDAERO CCOc1cncc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630531259 398131842 /nfs/dbraw/zinc/13/18/42/398131842.db2.gz AKKOXOVPWXFCHO-NXEZZACHSA-N 1 0 236.319 1.428 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCC[C@H](O)C2)on1 ZINC000389720696 398129399 /nfs/dbraw/zinc/12/93/99/398129399.db2.gz PGPQITMHZYTSKY-UWVGGRQHSA-N 1 0 210.277 1.376 10 0 BDAERO CC[N@@H+]1CCC[C@@H](N[C@H](C)c2nccn2C)C1 ZINC000246400313 398122900 /nfs/dbraw/zinc/12/29/00/398122900.db2.gz QODQYVGLJXBSOH-VXGBXAGGSA-N 1 0 236.363 1.555 10 0 BDAERO CC(C)COC(=O)N1CC[NH2+][C@H](C)C1 ZINC000062568578 167021894 /nfs/dbraw/zinc/02/18/94/167021894.db2.gz SLDPVEHKKWBUIN-SECBINFHSA-N 1 0 200.282 1.073 10 0 BDAERO CC(C)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000082639665 167027853 /nfs/dbraw/zinc/02/78/53/167027853.db2.gz XCXKWOYEMFJWJR-CYBMUJFWSA-N 1 0 204.317 1.953 10 0 BDAERO C[NH2+]C[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000052592710 173364750 /nfs/dbraw/zinc/36/47/50/173364750.db2.gz NVLWVVJBDWXIQD-ZCFIWIBFSA-N 1 0 207.199 1.682 10 0 BDAERO CC(C)NC(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000020209460 167067851 /nfs/dbraw/zinc/06/78/51/167067851.db2.gz QPSHSLZPAXJXJZ-LLVKDONJSA-N 1 0 227.352 1.568 10 0 BDAERO CC(C)NC(=O)[C@H](CCC[NH3+])c1ccncc1 ZINC000076618256 167083543 /nfs/dbraw/zinc/08/35/43/167083543.db2.gz SLPWKXOTQAFYOH-GFCCVEGCSA-N 1 0 235.331 1.429 10 0 BDAERO CC(C)[NH2+]CCCO[C@@H](C)C(=O)NC(C)(C)C ZINC000051863419 167102485 /nfs/dbraw/zinc/10/24/85/167102485.db2.gz NCMFTMGKFHPDFA-NSHDSACASA-N 1 0 244.379 1.694 10 0 BDAERO c1nc2c(c(NC[C@H]3CCC[NH2+]3)n1)CCCC2 ZINC000094872459 487560821 /nfs/dbraw/zinc/56/08/21/487560821.db2.gz XWSHOQAZLGUVPQ-SNVBAGLBSA-N 1 0 232.331 1.519 10 0 BDAERO CC[C@H](C)N(CC)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227872965 487561277 /nfs/dbraw/zinc/56/12/77/487561277.db2.gz DYCSWCQMFNCAMW-HBNTYKKESA-N 1 0 212.337 1.761 10 0 BDAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCNC1=O)CC2 ZINC000676234504 487562883 /nfs/dbraw/zinc/56/28/83/487562883.db2.gz AQLAUYUSJKFYQT-QWHCGFSZSA-N 1 0 230.311 1.460 10 0 BDAERO CC(C)OCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236790607 167199269 /nfs/dbraw/zinc/19/92/69/167199269.db2.gz ODYCVWXHFXJABA-GHMZBOCLSA-N 1 0 228.336 1.045 10 0 BDAERO CC(C)[C@H](C)CNC(=O)C1CCC([NH3+])CC1 ZINC000081059841 487577035 /nfs/dbraw/zinc/57/70/35/487577035.db2.gz XAPPDKFQAIXMPB-VOMCLLRMSA-N 1 0 226.364 1.912 10 0 BDAERO CCN1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H]1C ZINC000393844337 487585964 /nfs/dbraw/zinc/58/59/64/487585964.db2.gz ZKNPJZHTNWMQOL-MGPQQGTHSA-N 1 0 240.391 1.564 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CS1 ZINC000086935186 487591940 /nfs/dbraw/zinc/59/19/40/487591940.db2.gz LRPSOEHPTQAPRL-ZNSHCXBVSA-N 1 0 215.362 1.774 10 0 BDAERO CCOC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000044365104 487594668 /nfs/dbraw/zinc/59/46/68/487594668.db2.gz ZGOVTDNNJRZUQL-VXGBXAGGSA-N 1 0 213.321 1.401 10 0 BDAERO CC(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000082008418 167317909 /nfs/dbraw/zinc/31/79/09/167317909.db2.gz XQCJLSAMZGSTQG-UHFFFAOYSA-N 1 0 219.350 1.199 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087121686 487610032 /nfs/dbraw/zinc/61/00/32/487610032.db2.gz MNTFJVANIRJAKL-GMTAPVOTSA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)C[C@@H](CO)[NH2+]C[C@H](O)C(C)(C)C ZINC000308841670 409916902 /nfs/dbraw/zinc/91/69/02/409916902.db2.gz ZAERGUONKCVWQX-QWRGUYRKSA-N 1 0 217.353 1.390 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2C[C@@H]2C1 ZINC000662707019 409861163 /nfs/dbraw/zinc/86/11/63/409861163.db2.gz ZRQQQIWZMQKYCK-QJPTWQEYSA-N 1 0 222.332 1.245 10 0 BDAERO C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)c1ccccn1 ZINC000662843229 409949725 /nfs/dbraw/zinc/94/97/25/409949725.db2.gz RYIHKBJGPPPKAC-BXUZGUMPSA-N 1 0 247.342 1.443 10 0 BDAERO CCCCn1c(C[NH2+]C)nc2cccnc21 ZINC000409422714 409995918 /nfs/dbraw/zinc/99/59/18/409995918.db2.gz JXOSEDVCCVIGMM-UHFFFAOYSA-N 1 0 218.304 1.951 10 0 BDAERO Brc1cc([C@@H]2CC[NH2+]C2)ccn1 ZINC000044121902 166095782 /nfs/dbraw/zinc/09/57/82/166095782.db2.gz YZZJENGLGSZDTB-MRVPVSSYSA-N 1 0 227.105 1.921 10 0 BDAERO CN(CCC(C)(C)C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000258820197 487613892 /nfs/dbraw/zinc/61/38/92/487613892.db2.gz XZWDBWKUDWTNPQ-NSHDSACASA-N 1 0 226.364 1.881 10 0 BDAERO CCCc1nccnc1NC[C@H](C)[NH2+]C ZINC000663271967 410090859 /nfs/dbraw/zinc/09/08/59/410090859.db2.gz ITVRJFNOGWKPNC-VIFPVBQESA-N 1 0 208.309 1.449 10 0 BDAERO C[C@H]1SCC[C@H]1NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000653176438 410152198 /nfs/dbraw/zinc/15/21/98/410152198.db2.gz VCMMBTPAPDJSQI-GWOFURMSSA-N 1 0 242.388 1.385 10 0 BDAERO O=C(C[C@@H]1CCC[NH2+]C1)NC1(C2CC2)CC1 ZINC000655437096 410260167 /nfs/dbraw/zinc/26/01/67/410260167.db2.gz XFCFYJLQRKHRFH-JTQLQIEISA-N 1 0 222.332 1.435 10 0 BDAERO COC[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000655441267 410264335 /nfs/dbraw/zinc/26/43/35/410264335.db2.gz GKNWDGNFCSLXIU-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+][C@H](CO)C1CCC1 ZINC000661155521 410309447 /nfs/dbraw/zinc/30/94/47/410309447.db2.gz UVSMBYQAIHPLMH-MNOVXSKESA-N 1 0 215.337 1.144 10 0 BDAERO C[C@@]1(C2CC2)C[N@H+](CC2(O)CCC2)CCO1 ZINC000661169090 410316369 /nfs/dbraw/zinc/31/63/69/410316369.db2.gz COWCWJARLAWFSI-LBPRGKRZSA-N 1 0 225.332 1.402 10 0 BDAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037315735 169757931 /nfs/dbraw/zinc/75/79/31/169757931.db2.gz JYWJPCNUVCHUTP-QNWHQSFQSA-N 1 0 236.359 1.798 10 0 BDAERO CCc1cc(NC(=O)[C@H]([NH3+])[C@H](C)CC)n[nH]1 ZINC000163396003 487617082 /nfs/dbraw/zinc/61/70/82/487617082.db2.gz CSQSZKDZDBXRLT-GMSGAONNSA-N 1 0 224.308 1.284 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@H](O)[C@@H]1CCCC[NH2+]1 ZINC000076688692 166662213 /nfs/dbraw/zinc/66/22/13/166662213.db2.gz TYYSODOEIAWRCY-VHSXEESVSA-N 1 0 244.335 1.014 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1C[C@]12CCC[NH2+]C2 ZINC000076675065 166668104 /nfs/dbraw/zinc/66/81/04/166668104.db2.gz ZTYHUAXVYVXWGS-CABZTGNLSA-N 1 0 226.320 1.653 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@@H](Nc2cc[nH]n2)CC1 ZINC000616666546 410734906 /nfs/dbraw/zinc/73/49/06/410734906.db2.gz XZAGBTSRVPMHDO-LLVKDONJSA-N 1 0 238.335 1.669 10 0 BDAERO CN(C)[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000393760905 410761495 /nfs/dbraw/zinc/76/14/95/410761495.db2.gz LFGRZDOWQFHHON-YNEHKIRRSA-N 1 0 226.364 1.173 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCOCC1 ZINC000393856405 410763196 /nfs/dbraw/zinc/76/31/96/410763196.db2.gz UJTASBQFDARPKE-QJPTWQEYSA-N 1 0 240.347 1.047 10 0 BDAERO CC(C)CCN(C)C(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000042457772 166832273 /nfs/dbraw/zinc/83/22/73/166832273.db2.gz XHZZMCKRYYWSIA-RYUDHWBXSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395246443 410844665 /nfs/dbraw/zinc/84/46/65/410844665.db2.gz MGMTWPZTXUWVIK-NHCYSSNCSA-N 1 0 224.348 1.631 10 0 BDAERO C[C@@H]1OCC[C@@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000150329364 487619028 /nfs/dbraw/zinc/61/90/28/487619028.db2.gz KEMRUQKRBLANTF-CABZTGNLSA-N 1 0 249.314 1.444 10 0 BDAERO COc1ccnc(NCCC2(C[NH3+])CC2)n1 ZINC000395905197 410866865 /nfs/dbraw/zinc/86/68/65/410866865.db2.gz KHKYSYSWLIGTEE-UHFFFAOYSA-N 1 0 222.292 1.026 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N(C(C)C)C1CC1 ZINC000309312895 410821344 /nfs/dbraw/zinc/82/13/44/410821344.db2.gz XSJRKLCVUSRTRZ-LLVKDONJSA-N 1 0 212.337 1.759 10 0 BDAERO CC(C)CNC(=O)C[C@@H](C[NH3+])C(C)C ZINC000076582822 166984701 /nfs/dbraw/zinc/98/47/01/166984701.db2.gz ZVWXYZQDXXMADW-JTQLQIEISA-N 1 0 200.326 1.380 10 0 BDAERO CC(C)CNC(=O)C[C@H](C[NH3+])C(C)C ZINC000076582824 166986507 /nfs/dbraw/zinc/98/65/07/166986507.db2.gz ZVWXYZQDXXMADW-SNVBAGLBSA-N 1 0 200.326 1.380 10 0 BDAERO CC(C)C[NH2+]C[C@@H](C(C)C)N1CCOC[C@H]1C ZINC000052475690 167005162 /nfs/dbraw/zinc/00/51/62/167005162.db2.gz GATRTCJJEYAYAA-KGLIPLIRSA-N 1 0 242.407 1.977 10 0 BDAERO CC(C)C[NH2+]Cc1nc2cccnc2n1C ZINC000082583435 167010712 /nfs/dbraw/zinc/01/07/12/167010712.db2.gz FMOHTGNEYPGTAS-UHFFFAOYSA-N 1 0 218.304 1.714 10 0 BDAERO CC(C)C[NH2+][C@@]1(C(N)=O)CCCC[C@H]1C ZINC000037946095 167013115 /nfs/dbraw/zinc/01/31/15/167013115.db2.gz HUQVVIAMAUSNFB-PWSUYJOCSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](Nc2ccn(C)n2)C1 ZINC000045654756 167025821 /nfs/dbraw/zinc/02/58/21/167025821.db2.gz AYXGLFBULKABMY-JTQLQIEISA-N 1 0 208.309 1.315 10 0 BDAERO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2cnccn2)[C@@H](C)C1 ZINC000181284297 167034200 /nfs/dbraw/zinc/03/42/00/167034200.db2.gz KBAXKGFLTUOIKY-OBJOEFQTSA-N 1 0 248.374 1.856 10 0 BDAERO CC(C)NC(=O)CN(C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042609845 167047643 /nfs/dbraw/zinc/04/76/43/167047643.db2.gz IMCZRAWVXSVYJW-NWDGAFQWSA-N 1 0 241.379 1.103 10 0 BDAERO CC(C)NC(=O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000036852810 167061126 /nfs/dbraw/zinc/06/11/26/167061126.db2.gz RTZXGMSMEZCACY-GFCCVEGCSA-N 1 0 248.326 1.494 10 0 BDAERO CC(C)NC(=O)COc1ccc(CC[NH3+])cc1 ZINC000021965961 167062960 /nfs/dbraw/zinc/06/29/60/167062960.db2.gz JRNWEVRAYYOWTE-UHFFFAOYSA-N 1 0 236.315 1.091 10 0 BDAERO CC(C)NC(=O)N(C)Cc1ccc(C[NH3+])cc1 ZINC000037757894 167067940 /nfs/dbraw/zinc/06/79/40/167067940.db2.gz JHGGXLGYNNXRGE-UHFFFAOYSA-N 1 0 235.331 1.695 10 0 BDAERO CC(C)[NH2+]C1(C(=O)[O-])CC[NH+](C(C)C)CC1 ZINC000037182935 167093128 /nfs/dbraw/zinc/09/31/28/167093128.db2.gz BOBNEAOXZXIBHH-UHFFFAOYSA-N 1 0 228.336 1.312 10 0 BDAERO CC(C)[NH2+]CCN1CCCC[C@@H]1CCO ZINC000042409298 167105060 /nfs/dbraw/zinc/10/50/60/167105060.db2.gz SVYVZPRHTGWDCE-GFCCVEGCSA-N 1 0 214.353 1.221 10 0 BDAERO CC(C)[NH2+]CCN1C[C@@H](C)OC[C@H]1C ZINC000037477310 167106817 /nfs/dbraw/zinc/10/68/17/167106817.db2.gz GDWSVXUQGKDXOJ-GHMZBOCLSA-N 1 0 200.326 1.094 10 0 BDAERO CC(C)[NH2+]CCOCc1cccc(C(N)=O)c1 ZINC000051862847 167109386 /nfs/dbraw/zinc/10/93/86/167109386.db2.gz NWQDXXFRNZULPH-UHFFFAOYSA-N 1 0 236.315 1.300 10 0 BDAERO CC(C)[NH2+]C[C@@H](C)N1CCCSCC1 ZINC000052370981 167110258 /nfs/dbraw/zinc/11/02/58/167110258.db2.gz OZRRFNWPJCZASN-LLVKDONJSA-N 1 0 216.394 1.812 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000309676648 167112677 /nfs/dbraw/zinc/11/26/77/167112677.db2.gz LXRPJUVZDHINDX-STQMWFEESA-N 1 0 226.364 1.485 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N1CCCO[C@@H](C)C1 ZINC000061935567 167113304 /nfs/dbraw/zinc/11/33/04/167113304.db2.gz FTINPIRRLXBJQF-RYUDHWBXSA-N 1 0 214.353 1.484 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN1c1nccn1C ZINC000053694337 167113474 /nfs/dbraw/zinc/11/34/74/167113474.db2.gz MVNLASODTGDKLK-NSHDSACASA-N 1 0 222.336 1.387 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCN1c1cnccn1 ZINC000053693940 167115176 /nfs/dbraw/zinc/11/51/76/167115176.db2.gz HBFPNFQATGFXRX-LLVKDONJSA-N 1 0 220.320 1.443 10 0 BDAERO CC(C)[NH2+][C@](C)(C(N)=O)c1ccccc1F ZINC000037446578 167141596 /nfs/dbraw/zinc/14/15/96/167141596.db2.gz WXBDJXFXVLYNOH-LBPRGKRZSA-N 1 0 224.279 1.524 10 0 BDAERO CC(C)OCCN1C[C@H](C)[NH2+]C[C@H]1C(C)C ZINC000062613993 167236687 /nfs/dbraw/zinc/23/66/87/167236687.db2.gz QQWDHAKEDPRUBE-STQMWFEESA-N 1 0 228.380 1.730 10 0 BDAERO CC(C)OCCOC[C@@H](O)C[NH2+][C@H](C)C1CC1 ZINC000037889470 167248060 /nfs/dbraw/zinc/24/80/60/167248060.db2.gz GEHRBNGHOFQTJG-YPMHNXCESA-N 1 0 245.363 1.177 10 0 BDAERO CC(C)OCCOc1ccc(C(N)=[NH2+])cn1 ZINC000019476415 167249340 /nfs/dbraw/zinc/24/93/40/167249340.db2.gz IXZBMZXXLFKCNJ-UHFFFAOYSA-N 1 0 223.276 1.169 10 0 BDAERO CC(C)OCC[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000339509644 167253018 /nfs/dbraw/zinc/25/30/18/167253018.db2.gz SWWSNMVSANLZBM-LBPRGKRZSA-N 1 0 229.364 1.941 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000655495367 410914298 /nfs/dbraw/zinc/91/42/98/410914298.db2.gz NHKAATGUEVBUPF-ZYHUDNBSSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)Oc1nccc(C[NH3+])c1OC1CC1 ZINC000095738110 167313837 /nfs/dbraw/zinc/31/38/37/167313837.db2.gz WGVYXPHGOQEQKY-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)[C@@H](C)N(C)S(=O)(=O)C1CC[NH2+]CC1 ZINC000049643718 167368269 /nfs/dbraw/zinc/36/82/69/167368269.db2.gz NDNLOZWZNHYPQI-SNVBAGLBSA-N 1 0 248.392 1.045 10 0 BDAERO CC(C)[C@@H](C[NH3+])NC(=O)N1CCCCC1 ZINC000082642257 167396800 /nfs/dbraw/zinc/39/68/00/167396800.db2.gz ALFAQFUDXZRUEV-SNVBAGLBSA-N 1 0 213.325 1.165 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CC1CCSCC1 ZINC000309333507 411102268 /nfs/dbraw/zinc/10/22/68/411102268.db2.gz SZOMSJKWGMJKBV-GXSJLCMTSA-N 1 0 242.388 1.468 10 0 BDAERO CC[C@H]1CN(c2ncc(F)cn2)CC[C@@H]1[NH3+] ZINC000128520171 411106668 /nfs/dbraw/zinc/10/66/68/411106668.db2.gz VEDQKWDKIQVTLP-WPRPVWTQSA-N 1 0 224.283 1.179 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCO[C@H](C)C1 ZINC000300393296 411121168 /nfs/dbraw/zinc/12/11/68/411121168.db2.gz XQNAEGGSIRSCFY-VWYCJHECSA-N 1 0 228.336 1.044 10 0 BDAERO CN1CCC[C@H]1C[NH+]1CCC(CCO)CC1 ZINC000400990504 411168481 /nfs/dbraw/zinc/16/84/81/411168481.db2.gz XWIMOVFNUUZRQV-ZDUSSCGKSA-N 1 0 226.364 1.175 10 0 BDAERO CN(CCC[NH3+])c1nc2cccc(F)c2o1 ZINC000212548433 411242559 /nfs/dbraw/zinc/24/25/59/411242559.db2.gz IEWZDSCRSYXHGE-UHFFFAOYSA-N 1 0 223.251 1.752 10 0 BDAERO C/C(=C/CC[NH3+])c1c(Br)cnn1C ZINC000229259165 411190629 /nfs/dbraw/zinc/19/06/29/411190629.db2.gz VAMMKBIFLMWKKA-DAXSKMNVSA-N 1 0 244.136 1.935 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000054788286 411193153 /nfs/dbraw/zinc/19/31/53/411193153.db2.gz ZYRLWVQXPJHEHH-SNVBAGLBSA-N 1 0 225.361 1.717 10 0 BDAERO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC000061883449 411194357 /nfs/dbraw/zinc/19/43/57/411194357.db2.gz MEKDLMUMRKHYDC-PWSUYJOCSA-N 1 0 248.326 1.558 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CC(F)(F)F ZINC000128948260 411194506 /nfs/dbraw/zinc/19/45/06/411194506.db2.gz SQDGDAZPBRXWAE-ZETCQYMHSA-N 1 0 226.242 1.381 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC(C1CC1)C1CC1 ZINC000128989468 411195144 /nfs/dbraw/zinc/19/51/44/411195144.db2.gz FKWNWCMBSBKXKK-NSHDSACASA-N 1 0 224.348 1.665 10 0 BDAERO Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1O ZINC000310076005 411201984 /nfs/dbraw/zinc/20/19/84/411201984.db2.gz GLGWKMDXDMJZGC-KOLCDFICSA-N 1 0 234.299 1.262 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCSC[C@@H]1C ZINC000129077116 411217720 /nfs/dbraw/zinc/21/77/20/411217720.db2.gz JRYGGAVRESYQFM-VHSXEESVSA-N 1 0 230.377 1.324 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)[C@H](C)CO1 ZINC000309720228 411218713 /nfs/dbraw/zinc/21/87/13/411218713.db2.gz BOHSOADOUBBOTJ-LPWJVIDDSA-N 1 0 227.348 1.647 10 0 BDAERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCNC1=O ZINC000658052999 411219653 /nfs/dbraw/zinc/21/96/53/411219653.db2.gz IOSGDEZRVOCCEK-PSASIEDQSA-N 1 0 224.329 1.157 10 0 BDAERO C[NH2+][C@@H]1CCN(c2ncnc3c2CCCC3)C1 ZINC000129160573 411233482 /nfs/dbraw/zinc/23/34/82/411233482.db2.gz ZNGWPVVKWKZUHZ-SNVBAGLBSA-N 1 0 232.331 1.154 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000310423473 411235935 /nfs/dbraw/zinc/23/59/35/411235935.db2.gz ZMUIPVGLJFPRNR-NTZNESFSSA-N 1 0 239.315 1.545 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc2ccccc2[nH]1 ZINC000310805458 411283629 /nfs/dbraw/zinc/28/36/29/411283629.db2.gz UPKDDAAMZCLULC-MWLCHTKSSA-N 1 0 243.310 1.730 10 0 BDAERO C([C@@H]1CC[NH2+]C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000051890088 411284903 /nfs/dbraw/zinc/28/49/03/411284903.db2.gz XNTOFBBFFAAPSX-JHJVBQTASA-N 1 0 224.348 1.239 10 0 BDAERO Nc1cc([C@H]2CCCN(CC[NH3+])CC2)ccn1 ZINC000616627185 411287378 /nfs/dbraw/zinc/28/73/78/411287378.db2.gz FTQAQALIRRWONR-NSHDSACASA-N 1 0 234.347 1.192 10 0 BDAERO CN1C[C@@H](C[NH2+][C@H]2CCC23CCCC3)CC1=O ZINC000658238229 411307038 /nfs/dbraw/zinc/30/70/38/411307038.db2.gz FOIUKDXFJBTTGN-NEPJUHHUSA-N 1 0 236.359 1.777 10 0 BDAERO [NH3+]C1(CNc2ncc(F)cn2)CCCC1 ZINC000656610894 411308370 /nfs/dbraw/zinc/30/83/70/411308370.db2.gz UKNVQJREJUBJPZ-UHFFFAOYSA-N 1 0 210.256 1.299 10 0 BDAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)[C@@H]1C ZINC000658239245 411308327 /nfs/dbraw/zinc/30/83/27/411308327.db2.gz LMAHWQWRDWULMX-NDBYEHHHSA-N 1 0 238.375 1.879 10 0 BDAERO CN(CC(C)(C)[NH3+])c1ncnc2ccccc21 ZINC000656609583 411308845 /nfs/dbraw/zinc/30/88/45/411308845.db2.gz QVLIBGUQDQXHMS-UHFFFAOYSA-N 1 0 230.315 1.803 10 0 BDAERO Cc1ccnc(N2CC3CC2(C[NH3+])C3)c1 ZINC000656611590 411309446 /nfs/dbraw/zinc/30/94/46/411309446.db2.gz CNDFRSGEIXAUGE-UHFFFAOYSA-N 1 0 203.289 1.318 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@@H]1C[C@H]1C ZINC000658242779 411309546 /nfs/dbraw/zinc/30/95/46/411309546.db2.gz VPOQLJJJCIDRJA-KXNHARMFSA-N 1 0 224.348 1.489 10 0 BDAERO CN1C[C@H](C[NH2+][C@@H]2CCCC2(C)C)CC1=O ZINC000658245084 411310647 /nfs/dbraw/zinc/31/06/47/411310647.db2.gz VUHCSVJVXPRXFY-WDEREUQCSA-N 1 0 224.348 1.633 10 0 BDAERO CC1(C)CC[C@@]([NH3+])(CO)c2ccccc21 ZINC000038124637 167938239 /nfs/dbraw/zinc/93/82/39/167938239.db2.gz GZNPOYRAEXKYBW-CYBMUJFWSA-N 1 0 205.301 1.904 10 0 BDAERO OCC1CC([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000658351780 411353317 /nfs/dbraw/zinc/35/33/17/411353317.db2.gz AKKUWAQKECLYMT-GDKBPFBDSA-N 1 0 232.327 1.820 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662038629 411353324 /nfs/dbraw/zinc/35/33/24/411353324.db2.gz WPEXYFYVCBTIOO-UTUOFQBUSA-N 1 0 213.321 1.116 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)c2nccn21 ZINC000658353004 411356215 /nfs/dbraw/zinc/35/62/15/411356215.db2.gz JCOPBWMLHJZXHD-SFXRXQKFSA-N 1 0 221.304 1.249 10 0 BDAERO C[C@H](C[NH2+][C@H](C)C(C)(C)C)N1CCOCC1 ZINC000123475420 411368038 /nfs/dbraw/zinc/36/80/38/411368038.db2.gz OXJGNDKTKBDCNR-VXGBXAGGSA-N 1 0 228.380 1.731 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000656708350 411335191 /nfs/dbraw/zinc/33/51/91/411335191.db2.gz MDRSRFXPJZHCAT-BBBLOLIVSA-N 1 0 235.274 1.304 10 0 BDAERO CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000656702936 411339283 /nfs/dbraw/zinc/33/92/83/411339283.db2.gz UPAQSHOSMHECAC-JHJVBQTASA-N 1 0 240.391 1.752 10 0 BDAERO CC(C)(C[NH3+])C(=O)NC1(C)CCCCC1 ZINC000045046232 168054742 /nfs/dbraw/zinc/05/47/42/168054742.db2.gz RVKMCFWMWRGWJF-UHFFFAOYSA-N 1 0 212.337 1.810 10 0 BDAERO CC1([NH2+][C@H]2CCCCNC2=O)CCCC1 ZINC000042187393 168063775 /nfs/dbraw/zinc/06/37/75/168063775.db2.gz NSYFYJKZDCFYDD-JTQLQIEISA-N 1 0 210.321 1.577 10 0 BDAERO CC1=C(C)C(=O)N(CC[C@H]2CCC[NH2+]C2)C1=O ZINC000104354694 168079960 /nfs/dbraw/zinc/07/99/60/168079960.db2.gz VHZWCSOYDMMJHZ-LLVKDONJSA-N 1 0 236.315 1.081 10 0 BDAERO CC1CC(=O)N([C@@H]2CCCC[C@@H]2[NH3+])C(=O)C1 ZINC000061829067 168138663 /nfs/dbraw/zinc/13/86/63/168138663.db2.gz HSFXRTURQNCZDD-VHSXEESVSA-N 1 0 224.304 1.041 10 0 BDAERO CC1CCC(C[NH3+])(N2CCO[C@@H](C)C2)CC1 ZINC000019439458 168152759 /nfs/dbraw/zinc/15/27/59/168152759.db2.gz CPXNIKLJKCMZDX-CPCZMJQVSA-N 1 0 226.364 1.615 10 0 BDAERO CC1CCC(C[NH2+][C@H]2CC(=O)N(C)C2)CC1 ZINC000336653385 168155966 /nfs/dbraw/zinc/15/59/66/168155966.db2.gz JLZISIMNWPRWLY-MCIGGMRASA-N 1 0 224.348 1.633 10 0 BDAERO CC1CCC(C[NH2+]C[C@]2(O)CCN(C)C2)CC1 ZINC000358137564 168156745 /nfs/dbraw/zinc/15/67/45/168156745.db2.gz MBVXAWBHBGYRPX-JXQTWKCFSA-N 1 0 240.391 1.469 10 0 BDAERO CC1CCC([NH3+])(CCS(C)(=O)=O)CC1 ZINC000053752591 168159378 /nfs/dbraw/zinc/15/93/78/168159378.db2.gz WCMJGTGMLOSBNO-UHFFFAOYSA-N 1 0 219.350 1.329 10 0 BDAERO CC1CCC([NH3+])(c2noc(-c3cc[nH]n3)n2)CC1 ZINC000062779904 168160528 /nfs/dbraw/zinc/16/05/28/168160528.db2.gz JORKPOLICYWMHY-UHFFFAOYSA-N 1 0 247.302 1.824 10 0 BDAERO C[C@H](C(=O)NC1CCC(C)CC1)C1C[NH2+]C1 ZINC000129051952 168161907 /nfs/dbraw/zinc/16/19/07/168161907.db2.gz VNEGFZRJPBRRNY-YZRBJQDESA-N 1 0 224.348 1.537 10 0 BDAERO C[C@@H](C(=O)NC1CCC(C)CC1)C1C[NH2+]C1 ZINC000129052192 168162082 /nfs/dbraw/zinc/16/20/82/168162082.db2.gz VNEGFZRJPBRRNY-SQLBVSGCSA-N 1 0 224.348 1.537 10 0 BDAERO CC1CCC(OC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062132518 168167187 /nfs/dbraw/zinc/16/71/87/168167187.db2.gz JUNUAXKXDUOQJV-HSOILSAZSA-N 1 0 211.305 1.718 10 0 BDAERO CC1CCN(C(=O)[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000019507268 168176050 /nfs/dbraw/zinc/17/60/50/168176050.db2.gz WSCATESUZYPACG-RYUDHWBXSA-N 1 0 224.348 1.633 10 0 BDAERO CC1CCN(CC[NH2+]CC2CCOCC2)CC1 ZINC000052178633 168181105 /nfs/dbraw/zinc/18/11/05/168181105.db2.gz LKKJEIVTUMZBJZ-UHFFFAOYSA-N 1 0 240.391 1.735 10 0 BDAERO CC1CC[NH+](C[C@H](O)c2cccnc2)CC1 ZINC000032013756 168182471 /nfs/dbraw/zinc/18/24/71/168182471.db2.gz GSCUSNXYRKQSJL-ZDUSSCGKSA-N 1 0 220.316 1.847 10 0 BDAERO CC1CC[NH+](CCn2cc(N)cn2)CC1 ZINC000050614571 168182611 /nfs/dbraw/zinc/18/26/11/168182611.db2.gz ZBVNXEQGTJZRHL-UHFFFAOYSA-N 1 0 208.309 1.197 10 0 BDAERO CCC(=O)CC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000190215081 168203636 /nfs/dbraw/zinc/20/36/36/168203636.db2.gz GLNYGRNVJDFKDN-CYBMUJFWSA-N 1 0 235.331 1.926 10 0 BDAERO CCC(=O)N[C@@H](C)c1ccc(C[NH3+])cc1 ZINC000037747631 168236374 /nfs/dbraw/zinc/23/63/74/168236374.db2.gz CWOJHSWVHASJRT-VIFPVBQESA-N 1 0 206.289 1.733 10 0 BDAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1CCCO1 ZINC000069633609 411457898 /nfs/dbraw/zinc/45/78/98/411457898.db2.gz OPNFUEARPMMUHT-UWVGGRQHSA-N 1 0 228.336 1.188 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC2=CCCC2)C1 ZINC000659379951 411394562 /nfs/dbraw/zinc/39/45/62/411394562.db2.gz TWPBOZDLQUCFBZ-MNOVXSKESA-N 1 0 208.305 1.340 10 0 BDAERO COCC1(N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000659337869 411397690 /nfs/dbraw/zinc/39/76/90/411397690.db2.gz NFTZGVJCGVOHOU-QWRGUYRKSA-N 1 0 240.347 1.141 10 0 BDAERO COCC1(N(C)C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000659338834 411398978 /nfs/dbraw/zinc/39/89/78/411398978.db2.gz RQNAUAMBQZAOJN-MNOVXSKESA-N 1 0 240.347 1.012 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000055421373 411399056 /nfs/dbraw/zinc/39/90/56/411399056.db2.gz YYPHKZAKNWIGBU-NXEZZACHSA-N 1 0 218.300 1.572 10 0 BDAERO CC[C@@H](C)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000659341532 411399502 /nfs/dbraw/zinc/39/95/02/411399502.db2.gz XQMMEEHDINMVDA-YPMHNXCESA-N 1 0 242.363 1.307 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000659343160 411400278 /nfs/dbraw/zinc/40/02/78/411400278.db2.gz MNOCCGUAWIGQFE-KXNHARMFSA-N 1 0 226.364 1.783 10 0 BDAERO C[C@]1(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)CCC[NH2+]1 ZINC000659361197 411402994 /nfs/dbraw/zinc/40/29/94/411402994.db2.gz MYOMVSKHXJFPGX-CIQGVGRVSA-N 1 0 236.359 1.681 10 0 BDAERO C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)O1 ZINC000659360723 411403149 /nfs/dbraw/zinc/40/31/49/411403149.db2.gz FMPNTHYWJXMOQC-DDHJBXDOSA-N 1 0 240.347 1.188 10 0 BDAERO COC[C@]1(C(=O)NCCC(C)(C)F)CCC[NH2+]1 ZINC000659362048 411404014 /nfs/dbraw/zinc/40/40/14/411404014.db2.gz VAGADAUSSBODPV-LBPRGKRZSA-N 1 0 246.326 1.009 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@]1(C)CC1(C)C ZINC000659379470 411406377 /nfs/dbraw/zinc/40/63/77/411406377.db2.gz IHWNBZTZHXGPPY-KBVBSXBZSA-N 1 0 210.321 1.147 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653056076 411407054 /nfs/dbraw/zinc/40/70/54/411407054.db2.gz SRMMVGYFOGBCRL-XLPZGREQSA-N 1 0 238.253 1.299 10 0 BDAERO COC[C@@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186534896 411410363 /nfs/dbraw/zinc/41/03/63/411410363.db2.gz YHJWDXUVRXSMEI-GHMZBOCLSA-N 1 0 240.347 1.012 10 0 BDAERO CC[N@@H+]1CCCOC[C@H]1c1ccccn1 ZINC000616648304 411411620 /nfs/dbraw/zinc/41/16/20/411411620.db2.gz DUAJGMDAVHUVFF-LBPRGKRZSA-N 1 0 206.289 1.865 10 0 BDAERO CC[C@@H]1CN(c2cccc(C)n2)CC[C@@H]1[NH3+] ZINC000122967858 411437379 /nfs/dbraw/zinc/43/73/79/411437379.db2.gz YFGMBFXCVISTPZ-NEPJUHHUSA-N 1 0 219.332 1.954 10 0 BDAERO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cn1 ZINC000405711872 411439566 /nfs/dbraw/zinc/43/95/66/411439566.db2.gz OVAUZMVVQMPBHS-KKUMJFAQSA-N 1 0 246.354 1.983 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC1CCCC1 ZINC000128904761 411445907 /nfs/dbraw/zinc/44/59/07/411445907.db2.gz HDDSMMANHMSNAP-NSHDSACASA-N 1 0 212.337 1.666 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C1CC1 ZINC000407286139 411476929 /nfs/dbraw/zinc/47/69/29/411476929.db2.gz WDZKELNKGYAGBM-KPXOXKRLSA-N 1 0 222.332 1.432 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000657373548 411482104 /nfs/dbraw/zinc/48/21/04/411482104.db2.gz YWQHVRCRRXLNQI-DGCLKSJQSA-N 1 0 249.358 1.470 10 0 BDAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657371630 411484524 /nfs/dbraw/zinc/48/45/24/411484524.db2.gz XSYLNRWIZZCOOO-AAEUAGOBSA-N 1 0 249.358 1.470 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307961366 411492136 /nfs/dbraw/zinc/49/21/36/411492136.db2.gz XGDGZJOAKOXXDL-JGVFFNPUSA-N 1 0 243.269 1.296 10 0 BDAERO C[N@H+](CCn1cccn1)C[C@@H]1CCC[C@@H](O)C1 ZINC000659919694 411497816 /nfs/dbraw/zinc/49/78/16/411497816.db2.gz SFUOAKWOWFZUTK-CHWSQXEVSA-N 1 0 237.347 1.366 10 0 BDAERO COCC1(C[NH2+]Cc2cnn(C)c2C)CC1 ZINC000655834775 411531273 /nfs/dbraw/zinc/53/12/73/411531273.db2.gz HJJHEICZYHUPFI-UHFFFAOYSA-N 1 0 223.320 1.245 10 0 BDAERO CCN1CC[C@@H]([NH2+]CC2(SC)CC2)C1 ZINC000336900965 170011154 /nfs/dbraw/zinc/01/11/54/170011154.db2.gz SEWQNRKXJWZVNM-SNVBAGLBSA-N 1 0 214.378 1.566 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2ncccc2F)C1 ZINC000054700618 170016172 /nfs/dbraw/zinc/01/61/72/170016172.db2.gz BQKFHNGTJBPVOV-SNVBAGLBSA-N 1 0 223.295 1.974 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2ccc(C)nn2)C1 ZINC000041045126 170016268 /nfs/dbraw/zinc/01/62/68/170016268.db2.gz WGJHPDGMYHABND-LLVKDONJSA-N 1 0 220.320 1.539 10 0 BDAERO CC[N@@H+]1CC[C@H](CNc2cc(C)nc(C)n2)C1 ZINC000037756831 170016558 /nfs/dbraw/zinc/01/65/58/170016558.db2.gz UTZPEYHPMSAYBN-GFCCVEGCSA-N 1 0 234.347 1.847 10 0 BDAERO CC[N@@H+]1CC[C@H](N2CCOCC2)[C@H](C)C1 ZINC000073653876 170018923 /nfs/dbraw/zinc/01/89/23/170018923.db2.gz UOGVURCHMXHKEW-NEPJUHHUSA-N 1 0 212.337 1.049 10 0 BDAERO CCN1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336891768 170020132 /nfs/dbraw/zinc/02/01/32/170020132.db2.gz IWPRGPALYUDKDD-RYUDHWBXSA-N 1 0 212.337 1.097 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000328469958 170021834 /nfs/dbraw/zinc/02/18/34/170021834.db2.gz KWSMHZRLNHOPIS-AAEUAGOBSA-N 1 0 248.374 1.481 10 0 BDAERO CCN1CC[C@H]([NH2+][C@H]2CCOC2(C)C)C1 ZINC000336327051 170022270 /nfs/dbraw/zinc/02/22/70/170022270.db2.gz CGMNOPFIWMHSLZ-QWRGUYRKSA-N 1 0 212.337 1.238 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccoc2)C1 ZINC000336762932 170031397 /nfs/dbraw/zinc/03/13/97/170031397.db2.gz OJTPMIXUAVPOAR-ZYHUDNBSSA-N 1 0 208.305 1.709 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2snnc2C)C1 ZINC000309678419 170031845 /nfs/dbraw/zinc/03/18/45/170031845.db2.gz YSJNCSVZDDLPOO-PSASIEDQSA-N 1 0 240.376 1.276 10 0 BDAERO CCN1C[C@H]([NH2+]C[C@H]2CCCOC2)[C@@H](C)C1 ZINC000336775994 170034561 /nfs/dbraw/zinc/03/45/61/170034561.db2.gz DHVPLZVDJKQNKJ-XQQFMLRXSA-N 1 0 226.364 1.343 10 0 BDAERO Cc1cc(C)c(C[NH2+][C@@H]2CCNC2=O)cc1C ZINC000657521827 411540927 /nfs/dbraw/zinc/54/09/27/411540927.db2.gz DMIKPYTZTJTFQO-CYBMUJFWSA-N 1 0 232.327 1.590 10 0 BDAERO CCNC(=O)CCOc1cccc(F)c1C[NH3+] ZINC000051756518 170053066 /nfs/dbraw/zinc/05/30/66/170053066.db2.gz FDQGEJAVIBTIBT-UHFFFAOYSA-N 1 0 240.278 1.189 10 0 BDAERO CCNC(=O)CN(CC)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042370629 170057612 /nfs/dbraw/zinc/05/76/12/170057612.db2.gz YOCXEEIXBPQBDP-NWDGAFQWSA-N 1 0 241.379 1.104 10 0 BDAERO CCNC(=O)C[NH2+][C@@H](CC)c1ccc(O)cc1 ZINC000036780341 170065577 /nfs/dbraw/zinc/06/55/77/170065577.db2.gz CCJLUSWUOUVNLH-LBPRGKRZSA-N 1 0 236.315 1.569 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000657525770 411543284 /nfs/dbraw/zinc/54/32/84/411543284.db2.gz VIFZUEQOVLGFHI-GFCCVEGCSA-N 1 0 229.283 1.146 10 0 BDAERO CCNC(=O)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000057527696 170069848 /nfs/dbraw/zinc/06/98/48/170069848.db2.gz PDTCRWSKRXVEMQ-NSHDSACASA-N 1 0 236.315 1.264 10 0 BDAERO CCNC(=O)N(C)Cc1ccccc1C[NH3+] ZINC000037757512 170072087 /nfs/dbraw/zinc/07/20/87/170072087.db2.gz NPYWSZDCTWUKSS-UHFFFAOYSA-N 1 0 221.304 1.307 10 0 BDAERO CCNC(=O)[C@@H](CC[NH3+])c1ccc(OC)cc1 ZINC000076618955 170090164 /nfs/dbraw/zinc/09/01/64/170090164.db2.gz JLGSOUZFCGQQAZ-LBPRGKRZSA-N 1 0 236.315 1.264 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000049201374 170094716 /nfs/dbraw/zinc/09/47/16/170094716.db2.gz OXUIPVSKJJNAFJ-NSHDSACASA-N 1 0 242.363 1.186 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCOC(C)(C)C1 ZINC000061289727 170106885 /nfs/dbraw/zinc/10/68/85/170106885.db2.gz WDMFLTGDBZHEFA-UHFFFAOYSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+]C(C)(C)CN1C[C@@H](C)OC(C)(C)C1 ZINC000061299926 170107381 /nfs/dbraw/zinc/10/73/81/170107381.db2.gz KMRDFIIDEPJHDC-LLVKDONJSA-N 1 0 228.380 1.874 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)NCCc1cccnc1 ZINC000061293311 170107840 /nfs/dbraw/zinc/10/78/40/170107840.db2.gz DWVGLZAOUZUFSK-UHFFFAOYSA-N 1 0 235.331 1.128 10 0 BDAERO CC[NH2+]CC1CCN(C(F)(F)F)CC1 ZINC000095091543 170110275 /nfs/dbraw/zinc/11/02/75/170110275.db2.gz ITIRHADZWDWONP-UHFFFAOYSA-N 1 0 210.243 1.828 10 0 BDAERO CC[NH2+]CC(=O)c1ccc(OC)c(C)c1OC ZINC000071547846 170110578 /nfs/dbraw/zinc/11/05/78/170110578.db2.gz IVLAEFJJFQPAAK-UHFFFAOYSA-N 1 0 237.299 1.804 10 0 BDAERO CC[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@H]23 ZINC000039287548 170110766 /nfs/dbraw/zinc/11/07/66/170110766.db2.gz GLFWKUKQJGKKFZ-GWCFXTLKSA-N 1 0 230.311 1.249 10 0 BDAERO CC[NH2+]CCCn1nnc(-c2ccccc2)n1 ZINC000042409874 170114026 /nfs/dbraw/zinc/11/40/26/170114026.db2.gz UYSBKVSFLHEREN-UHFFFAOYSA-N 1 0 231.303 1.340 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000061265924 170118097 /nfs/dbraw/zinc/11/80/97/170118097.db2.gz LOQBPKOJGHQMNA-NEPJUHHUSA-N 1 0 249.358 1.847 10 0 BDAERO CC[NH2+]C[C@@H](c1cccc(OC)c1)N(C)C ZINC000019903814 170119878 /nfs/dbraw/zinc/11/98/78/170119878.db2.gz LVRBXDHJXKPDKP-ZDUSSCGKSA-N 1 0 222.332 1.907 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN1c1nccc(C)n1 ZINC000061859971 170120190 /nfs/dbraw/zinc/12/01/90/170120190.db2.gz VVOCZIHQZLEZEW-NSHDSACASA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000032014557 170121875 /nfs/dbraw/zinc/12/18/75/170121875.db2.gz FCFVVCGYPIGTIP-LBPRGKRZSA-N 1 0 223.316 1.653 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc(OC)c(C)c1OC ZINC000071549507 170122337 /nfs/dbraw/zinc/12/23/37/170122337.db2.gz XPMDQVIHCNOONB-NSHDSACASA-N 1 0 239.315 1.655 10 0 BDAERO CC[NH2+]C[C@H]1CCCCN1Cc1nnc(C)o1 ZINC000104409037 170122551 /nfs/dbraw/zinc/12/25/51/170122551.db2.gz ZRDWRACYLKKSAQ-LLVKDONJSA-N 1 0 238.335 1.342 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1ccc(F)cc1F ZINC000071519232 170122679 /nfs/dbraw/zinc/12/26/79/170122679.db2.gz FRGAEJOABXNYNA-SNVBAGLBSA-N 1 0 215.243 1.478 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc(OCC)cc1 ZINC000032012213 170122903 /nfs/dbraw/zinc/12/29/03/170122903.db2.gz DIIVBHRMIHUOSV-LBPRGKRZSA-N 1 0 209.289 1.728 10 0 BDAERO CC[NH2+]Cc1cnn([C@H]2CCC[C@H]2O)c1 ZINC000054599522 170131111 /nfs/dbraw/zinc/13/11/11/170131111.db2.gz JQZGKCGVCSAUAN-WDEREUQCSA-N 1 0 209.293 1.079 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1ccccc1C ZINC000054744636 170131492 /nfs/dbraw/zinc/13/14/92/170131492.db2.gz BFSVLJHYZCECLO-UHFFFAOYSA-N 1 0 217.276 1.080 10 0 BDAERO CC[NH2+]Cc1nc2ccc(F)cc2n1C ZINC000052124554 170131540 /nfs/dbraw/zinc/13/15/40/170131540.db2.gz URWCDHPCSTWWPB-UHFFFAOYSA-N 1 0 207.252 1.822 10 0 BDAERO CC[NH2+]Cc1nnnn1C1CCC(CC)CC1 ZINC000054747107 170131591 /nfs/dbraw/zinc/13/15/91/170131591.db2.gz WLTDBWPBMDPUDA-UHFFFAOYSA-N 1 0 237.351 1.924 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H]1CCCC[C@H]1C ZINC000054745935 170131998 /nfs/dbraw/zinc/13/19/98/170131998.db2.gz JQKQMPFDUABGSH-ZJUUUORDSA-N 1 0 223.324 1.534 10 0 BDAERO CC[NH2+]Cc1nnc(-c2cccc(C)n2)o1 ZINC000050615519 170132012 /nfs/dbraw/zinc/13/20/12/170132012.db2.gz RGKCKQSKJFGMJH-UHFFFAOYSA-N 1 0 218.260 1.550 10 0 BDAERO CC[NH2+]Cc1sc(C)nc1COC ZINC000082441249 170132408 /nfs/dbraw/zinc/13/24/08/170132408.db2.gz NAIKLRVNENVRQN-UHFFFAOYSA-N 1 0 200.307 1.707 10 0 BDAERO CC[NH2+]Cc1sc(N(C)C)nc1COC ZINC000082447055 170132433 /nfs/dbraw/zinc/13/24/33/170132433.db2.gz NOMRAJWHEURHIS-UHFFFAOYSA-N 1 0 229.349 1.465 10 0 BDAERO CC[NH2+]Cc1sc(CN(C)C)nc1COC ZINC000082446651 170132543 /nfs/dbraw/zinc/13/25/43/170132543.db2.gz LTXVKXXFPAAUDD-UHFFFAOYSA-N 1 0 243.376 1.461 10 0 BDAERO CC[NH2+][C@@H](C)c1nnc(-c2cccnc2)o1 ZINC000050618653 170142785 /nfs/dbraw/zinc/14/27/85/170142785.db2.gz WMEFDTNWVPVCSI-QMMMGPOBSA-N 1 0 218.260 1.802 10 0 BDAERO CC[NH2+][C@@H]1CCCc2nc(NC)ncc21 ZINC000050100912 170151711 /nfs/dbraw/zinc/15/17/11/170151711.db2.gz DUCZXTFINNVJSC-SECBINFHSA-N 1 0 206.293 1.505 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cccc(F)c2F)C1=O ZINC000049648917 170152662 /nfs/dbraw/zinc/15/26/62/170152662.db2.gz ZQDCMQZDDDQQEY-SECBINFHSA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cnn(CC)c2)[C@H](C)C1 ZINC000049711252 170152762 /nfs/dbraw/zinc/15/27/62/170152762.db2.gz SLSDKUXZUVKECS-VXGBXAGGSA-N 1 0 236.363 1.870 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccncc2)C1=O ZINC000049648739 170153109 /nfs/dbraw/zinc/15/31/09/170153109.db2.gz XXPMPMWFTVLHQR-CMPLNLGQSA-N 1 0 233.315 1.353 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2cnn(C)c2)C[C@@H]1C ZINC000049711123 170153315 /nfs/dbraw/zinc/15/33/15/170153315.db2.gz ABXLJONBFDXAJM-CMPLNLGQSA-N 1 0 222.336 1.244 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1ccccc1OCC ZINC000037869677 170155672 /nfs/dbraw/zinc/15/56/72/170155672.db2.gz CQGWKJKDOADCGS-NSHDSACASA-N 1 0 222.288 1.221 10 0 BDAERO CC[NH2+][C@H](C)Cc1nc(-c2ncccc2C)no1 ZINC000061213083 170158254 /nfs/dbraw/zinc/15/82/54/170158254.db2.gz FQYFDUGNLBILRD-SNVBAGLBSA-N 1 0 246.314 1.981 10 0 BDAERO CC[NH2+][C@H](C)[C@@H](C)N1CCn2ccnc2C1 ZINC000062250457 170158603 /nfs/dbraw/zinc/15/86/03/170158603.db2.gz QPJMCYVOZGXOFE-GHMZBOCLSA-N 1 0 222.336 1.085 10 0 BDAERO CC[NH2+][C@H](C)c1ccccc1O[C@@H](C)C(N)=O ZINC000034820821 170160212 /nfs/dbraw/zinc/16/02/12/170160212.db2.gz BAGILGBKHOOCSA-ZJUUUORDSA-N 1 0 236.315 1.610 10 0 BDAERO CC[NH2+][C@H](C)c1nnc(-c2cccnc2OC)o1 ZINC000061446918 170160423 /nfs/dbraw/zinc/16/04/23/170160423.db2.gz QXLIZJVHVIEQSY-MRVPVSSYSA-N 1 0 248.286 1.811 10 0 BDAERO CC[NH2+][C@H](c1ccc(C)o1)[C@H]1COCCO1 ZINC000055301192 170163389 /nfs/dbraw/zinc/16/33/89/170163389.db2.gz QISUMQPVZIVLQV-VXGBXAGGSA-N 1 0 225.288 1.654 10 0 BDAERO CC[NH2+][C@H](c1ccco1)[C@H]1COCCO1 ZINC000055301161 170165192 /nfs/dbraw/zinc/16/51/92/170165192.db2.gz AYBBILNZPAVDLS-GHMZBOCLSA-N 1 0 211.261 1.346 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC000037483656 170167594 /nfs/dbraw/zinc/16/75/94/170167594.db2.gz JSGIOLXFDFQECZ-RYUDHWBXSA-N 1 0 219.332 1.826 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cccc(C)n2)C1 ZINC000051576597 170168085 /nfs/dbraw/zinc/16/80/85/170168085.db2.gz YYXSMVGDZKURNO-LBPRGKRZSA-N 1 0 219.332 1.574 10 0 BDAERO CC[NH2+][C@H]1CCN([C@@H](C)Cc2ccccc2)C1=O ZINC000062187429 170168215 /nfs/dbraw/zinc/16/82/15/170168215.db2.gz QMCJREZKNLKPBH-JSGCOSHPSA-N 1 0 246.354 1.828 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@@H]1n1cnc(C)c1C ZINC000051926704 170168756 /nfs/dbraw/zinc/16/87/56/170168756.db2.gz YCQNITPYFOKHGG-RYUDHWBXSA-N 1 0 223.320 1.439 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@@H]1n1ccnc1C ZINC000043993854 170168960 /nfs/dbraw/zinc/16/89/60/170168960.db2.gz XRBFWFZODTUCOE-QWRGUYRKSA-N 1 0 209.293 1.131 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccccc2OC)C1 ZINC000037240311 170168992 /nfs/dbraw/zinc/16/89/92/170168992.db2.gz LWZGSLLMLFFGPJ-NSHDSACASA-N 1 0 220.316 1.883 10 0 BDAERO CC[NH2+][C@]1(C(N)=O)CCCc2sccc21 ZINC000061329856 170170660 /nfs/dbraw/zinc/17/06/60/170170660.db2.gz ARJPVPNPBKNDCW-LLVKDONJSA-N 1 0 224.329 1.375 10 0 BDAERO CCNc1ccc(C[N@@H+]2CCC[C@H](O)C2)cn1 ZINC000050817184 170173241 /nfs/dbraw/zinc/17/32/41/170173241.db2.gz MXXQAOSESUKAKJ-LBPRGKRZSA-N 1 0 235.331 1.470 10 0 BDAERO CCNc1nc2c(cc1C(N)=[NH2+])CCC2 ZINC000050891533 170177194 /nfs/dbraw/zinc/17/71/94/170177194.db2.gz GTHUQQGBJQIVDV-UHFFFAOYSA-N 1 0 204.277 1.286 10 0 BDAERO CC(C)([NH3+])c1cn(CCC(F)(F)F)nn1 ZINC000070916189 411556310 /nfs/dbraw/zinc/55/63/10/411556310.db2.gz PSPYYXQKFMUVKD-UHFFFAOYSA-N 1 0 222.214 1.424 10 0 BDAERO CCOC(=O)CC[NH2+]Cc1ccc(O)cc1 ZINC000045685392 170209221 /nfs/dbraw/zinc/20/92/21/170209221.db2.gz RVUHHUARMNBLEE-UHFFFAOYSA-N 1 0 223.272 1.435 10 0 BDAERO CCOC(=O)CC[NH2+]Cc1cnn2ccccc12 ZINC000071373417 170209674 /nfs/dbraw/zinc/20/96/74/170209674.db2.gz XOCCHTZGSYSSAU-UHFFFAOYSA-N 1 0 247.298 1.377 10 0 BDAERO CCOC(=O)CC[NH2+][C@@H](C)CN1CCCCC1 ZINC000049501724 170210194 /nfs/dbraw/zinc/21/01/94/170210194.db2.gz CRYGQTOCDFPECB-LBPRGKRZSA-N 1 0 242.363 1.404 10 0 BDAERO CCOC(=O)COc1ccccc1C[C@H](C)[NH3+] ZINC000037724353 170229407 /nfs/dbraw/zinc/22/94/07/170229407.db2.gz HWOLZCBPHGSLRY-JTQLQIEISA-N 1 0 237.299 1.518 10 0 BDAERO CCOC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000038033104 170238663 /nfs/dbraw/zinc/23/86/63/170238663.db2.gz CMYCACWSJUIBKG-UHFFFAOYSA-N 1 0 222.288 1.604 10 0 BDAERO CCOC(=O)N[C@@H](C[NH3+])c1ccccc1C ZINC000019415378 170243122 /nfs/dbraw/zinc/24/31/22/170243122.db2.gz NUZKFVRVCSXMGV-NSHDSACASA-N 1 0 222.288 1.741 10 0 BDAERO CCOC(=O)c1ccc(N[C@H]2CC[N@H+](C)C2)cc1 ZINC000061984946 170297126 /nfs/dbraw/zinc/29/71/26/170297126.db2.gz REYNYLFHSICYJN-ZDUSSCGKSA-N 1 0 248.326 1.979 10 0 BDAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1C[C@H]1C ZINC000186342882 170308716 /nfs/dbraw/zinc/30/87/16/170308716.db2.gz KJSOPNKRNIXWOC-SCZZXKLOSA-N 1 0 237.303 1.095 10 0 BDAERO CCOC1=CCCc2ccc(C(N)=[NH2+])nc21 ZINC000039100282 170320751 /nfs/dbraw/zinc/32/07/51/170320751.db2.gz DNYKWUQUWPCPAP-UHFFFAOYSA-N 1 0 217.272 1.689 10 0 BDAERO CCOC1CCN([C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000041053896 170332083 /nfs/dbraw/zinc/33/20/83/170332083.db2.gz DDHAWXMFYUOUNI-ZJUUUORDSA-N 1 0 200.326 1.223 10 0 BDAERO CCOC1CCN([C@H](C)[C@H](C)[NH3+])CC1 ZINC000041053899 170332445 /nfs/dbraw/zinc/33/24/45/170332445.db2.gz DDHAWXMFYUOUNI-VHSXEESVSA-N 1 0 200.326 1.223 10 0 BDAERO CCOC1CCN([C@H](C)C[NH2+]CCOC)CC1 ZINC000053494121 170333109 /nfs/dbraw/zinc/33/31/09/170333109.db2.gz LFCCBQXVSRVHQF-GFCCVEGCSA-N 1 0 244.379 1.112 10 0 BDAERO CCOCCCN1C[C@H](CC)[NH2+]C[C@H]1C ZINC000083088800 170375777 /nfs/dbraw/zinc/37/57/77/170375777.db2.gz UCHYWDWQAPLEIC-NEPJUHHUSA-N 1 0 214.353 1.485 10 0 BDAERO CCOCCN(CC)C(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000104195606 170393370 /nfs/dbraw/zinc/39/33/70/170393370.db2.gz MPZKBGIWSABZDT-NEPJUHHUSA-N 1 0 242.363 1.402 10 0 BDAERO CCOCCN(CC)C(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000104196834 170393374 /nfs/dbraw/zinc/39/33/74/170393374.db2.gz CMYTZWIOIXSKKD-NWDGAFQWSA-N 1 0 242.363 1.260 10 0 BDAERO CCOCCN1CC[N@H+](CCCF)C[C@@H]1CC ZINC000128340246 170399606 /nfs/dbraw/zinc/39/96/06/170399606.db2.gz DCALZZICLYMUAY-ZDUSSCGKSA-N 1 0 246.370 1.779 10 0 BDAERO CCOCCO[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000042962951 170422388 /nfs/dbraw/zinc/42/23/88/170422388.db2.gz UDFLLANTYAWJMN-CYBMUJFWSA-N 1 0 239.315 1.748 10 0 BDAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC2CC=CC2)C1 ZINC000660505225 411578842 /nfs/dbraw/zinc/57/88/42/411578842.db2.gz BJOVMMKHZHZSQD-NWDGAFQWSA-N 1 0 211.305 1.034 10 0 BDAERO Cc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1C ZINC000657695358 411581347 /nfs/dbraw/zinc/58/13/47/411581347.db2.gz ZAPWRAFKNKLBHT-ZDUSSCGKSA-N 1 0 246.354 1.871 10 0 BDAERO Cc1c(C[NH2+]CC(O)(C2CC2)C2CC2)cnn1C ZINC000657697828 411581932 /nfs/dbraw/zinc/58/19/32/411581932.db2.gz HRHFURQMMOZWGK-UHFFFAOYSA-N 1 0 249.358 1.369 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660478037 411591270 /nfs/dbraw/zinc/59/12/70/411591270.db2.gz LSPUXOASLNJFCX-HHHUOAJASA-N 1 0 222.332 1.289 10 0 BDAERO Cc1c(C[NH2+]C[C@H]2CCOC2(C)C)cnn1C ZINC000657784830 411595104 /nfs/dbraw/zinc/59/51/04/411595104.db2.gz GEMNYNDJLDDBGB-GFCCVEGCSA-N 1 0 237.347 1.633 10 0 BDAERO COc1cccc(C[NH2+]C2CC(CO)C2)c1 ZINC000657808091 411600785 /nfs/dbraw/zinc/60/07/85/411600785.db2.gz AUWGVFUBXJZNBN-UHFFFAOYSA-N 1 0 221.300 1.556 10 0 BDAERO CC(C)[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)CCO1 ZINC000657810733 411602640 /nfs/dbraw/zinc/60/26/40/411602640.db2.gz JMOBNPLLROHEOH-KPFVRQRISA-N 1 0 227.348 1.551 10 0 BDAERO COCc1ccc(C[NH2+]C2CC(CO)C2)o1 ZINC000657813058 411604215 /nfs/dbraw/zinc/60/42/15/411604215.db2.gz PPFCGTDVAGPXPJ-UHFFFAOYSA-N 1 0 225.288 1.287 10 0 BDAERO Cc1cc2c(N[C@@H]3CC[NH2+][C@H]3C)nccn2n1 ZINC000630543623 411662932 /nfs/dbraw/zinc/66/29/32/411662932.db2.gz CVPDOZVKZNSDMK-VHSXEESVSA-N 1 0 231.303 1.200 10 0 BDAERO Cc1nccnc1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000630534365 411790788 /nfs/dbraw/zinc/79/07/88/411790788.db2.gz WPNZFEMQQIRNCU-WPRPVWTQSA-N 1 0 206.293 1.337 10 0 BDAERO CCOc1nccnc1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000630531958 411719374 /nfs/dbraw/zinc/71/93/74/411719374.db2.gz DNDMWUGSDVOSGD-VHSXEESVSA-N 1 0 236.319 1.428 10 0 BDAERO CC[C@@H](C(=O)N[C@@H]1COc2ccccc21)[NH+](C)C ZINC000155949034 170666764 /nfs/dbraw/zinc/66/67/64/170666764.db2.gz HEKJKHCMYAAYJM-NEPJUHHUSA-N 1 0 248.326 1.577 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1c[nH]nc1N ZINC000616597544 411867327 /nfs/dbraw/zinc/86/73/27/411867327.db2.gz AXJPJGANJXLEPF-SNVBAGLBSA-N 1 0 224.308 1.164 10 0 BDAERO CC[N@@H+]1CCCC[C@@H](c2cc(N)n[nH]2)C1 ZINC000616654021 411855322 /nfs/dbraw/zinc/85/53/22/411855322.db2.gz JJHNCDMDCUIXAQ-SECBINFHSA-N 1 0 208.309 1.581 10 0 BDAERO CC[N@@H+]1CCCOC[C@@H]1c1ccnc(N)c1 ZINC000616599187 411858934 /nfs/dbraw/zinc/85/89/34/411858934.db2.gz IPRXGDSCTXABQY-LLVKDONJSA-N 1 0 221.304 1.447 10 0 BDAERO CCOC(=O)N1CCC[C@@H](c2ccnc(N)c2)C1 ZINC000616617188 411862088 /nfs/dbraw/zinc/86/20/88/411862088.db2.gz MMBMJBJBDWCBGV-LLVKDONJSA-N 1 0 249.314 2.000 10 0 BDAERO CC1CN(c2cc(N)[nH+]cc2Br)C1 ZINC000575460526 411889415 /nfs/dbraw/zinc/88/94/15/411889415.db2.gz DAQZQTNRUDSRAQ-UHFFFAOYSA-N 1 0 242.120 1.882 10 0 BDAERO C[C@@H]([NH2+]CCCc1cncn1C)[C@H]1CCCO1 ZINC000314935677 411897478 /nfs/dbraw/zinc/89/74/78/411897478.db2.gz RKBBIYMPIZVENI-DGCLKSJQSA-N 1 0 237.347 1.510 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2c[nH]nc2N)CC1 ZINC000616686978 411872215 /nfs/dbraw/zinc/87/22/15/411872215.db2.gz NYRJKOINDMTFIX-JTQLQIEISA-N 1 0 224.308 1.164 10 0 BDAERO CC[C@@H]([NH3+])Cn1cnc2ccccc2c1=O ZINC000050180424 170866877 /nfs/dbraw/zinc/86/68/77/170866877.db2.gz UZYZFCAEIJNEMO-SECBINFHSA-N 1 0 217.272 1.134 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](C)c1nc(Cc2ccncc2)no1 ZINC000104164326 170866903 /nfs/dbraw/zinc/86/69/03/170866903.db2.gz WYBMYKNFLHCFCB-MWLCHTKSSA-N 1 0 246.314 1.896 10 0 BDAERO Nc1ccc([C@H]2CCCC[N@H+](CCO)C2)cn1 ZINC000616603821 411959372 /nfs/dbraw/zinc/95/93/72/411959372.db2.gz IRCSEJDTCDTYOM-LBPRGKRZSA-N 1 0 235.331 1.226 10 0 BDAERO CC[C@@H](c1cccs1)N1CC[C@@H]([NH3+])C1=O ZINC000049660092 170955247 /nfs/dbraw/zinc/95/52/47/170955247.db2.gz HGVDELDMYNWHON-BDAKNGLRSA-N 1 0 224.329 1.759 10 0 BDAERO CO[C@@H](CN[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662265932 412058341 /nfs/dbraw/zinc/05/83/41/412058341.db2.gz UNJNDJBHKWQUGW-STQMWFEESA-N 1 0 226.364 1.533 10 0 BDAERO CC[C@@H]1CC[C@@H](O)[C@H](C[NH+]2CCC(O)CC2)C1 ZINC000053881541 171041501 /nfs/dbraw/zinc/04/15/01/171041501.db2.gz DZTLUHATMRHVTA-MBNYWOFBSA-N 1 0 241.375 1.630 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000126198270 171055574 /nfs/dbraw/zinc/05/55/74/171055574.db2.gz QFTYJILPBQEILE-GRYCIOLGSA-N 1 0 213.321 1.306 10 0 BDAERO CC[C@@H]1C[N@H+](CCC(C)C)CCN1C[C@@H](C)O ZINC000105826928 171077736 /nfs/dbraw/zinc/07/77/36/171077736.db2.gz XQVBEKZQNIRERJ-ZIAGYGMSSA-N 1 0 242.407 1.810 10 0 BDAERO CN(C)[C@@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000220146223 412062837 /nfs/dbraw/zinc/06/28/37/412062837.db2.gz RSRXEXSIGJJKDS-GHMZBOCLSA-N 1 0 214.353 1.029 10 0 BDAERO CC[C@@H]1COCCN1C(=O)C[NH2+]C1CCCC1 ZINC000037626491 171103204 /nfs/dbraw/zinc/10/32/04/171103204.db2.gz LPEBOHMHRBQZTB-GFCCVEGCSA-N 1 0 240.347 1.156 10 0 BDAERO CC[C@@H]1COCC[N@@H+]1Cc1ccccc1N ZINC000036322324 171106088 /nfs/dbraw/zinc/10/60/88/171106088.db2.gz CUQRCJWFSMGIDQ-GFCCVEGCSA-N 1 0 220.316 1.880 10 0 BDAERO CC[C@@H]1COCCN1[C@]1(C[NH3+])CCCSC1 ZINC000061590073 171107888 /nfs/dbraw/zinc/10/78/88/171107888.db2.gz NJRGJBOHRVCTRT-NEPJUHHUSA-N 1 0 244.404 1.322 10 0 BDAERO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC000062841792 171112272 /nfs/dbraw/zinc/11/22/72/171112272.db2.gz WNIGOMDXZNUZHG-CHWSQXEVSA-N 1 0 240.391 1.875 10 0 BDAERO CC[C@H](CC(F)F)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000662276232 412067293 /nfs/dbraw/zinc/06/72/93/412067293.db2.gz HMZKEASJLDPVPA-AEJSXWLSSA-N 1 0 220.307 1.947 10 0 BDAERO C(CC1CCC1)C[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000662285308 412077033 /nfs/dbraw/zinc/07/70/33/412077033.db2.gz JIJVGNNPGRNEKN-UONOGXRCSA-N 1 0 238.375 1.629 10 0 BDAERO CC[C@@]([NH2+]C)(C(N)=O)c1ccc(C)cc1 ZINC000037459004 171193740 /nfs/dbraw/zinc/19/37/40/171193740.db2.gz OYYATXCSEVTAKG-LBPRGKRZSA-N 1 0 206.289 1.305 10 0 BDAERO CC[C@@](O)(C[NH3+])c1cc(C)c(OC)cc1C ZINC000036161355 171194970 /nfs/dbraw/zinc/19/49/70/171194970.db2.gz ROQCTHWOQSJPFH-CYBMUJFWSA-N 1 0 223.316 1.868 10 0 BDAERO CC[C@@](O)(C[NH3+])c1ccc(OC)c(OC)c1 ZINC000032015019 171194997 /nfs/dbraw/zinc/19/49/97/171194997.db2.gz RCYMBGWMQJKCIG-GFCCVEGCSA-N 1 0 225.288 1.260 10 0 BDAERO CC[C@H](C(=O)N[C@H](C)C(C)C)[NH+](C)C ZINC000124668035 171232784 /nfs/dbraw/zinc/23/27/84/171232784.db2.gz NZRKQQONMHMLTM-NXEZZACHSA-N 1 0 200.326 1.487 10 0 BDAERO CC[C@H](C(N)=O)[N@H+](Cc1cccc(N)c1)C(C)C ZINC000061677751 171242911 /nfs/dbraw/zinc/24/29/11/171242911.db2.gz SOQGNLKSXATJFR-CYBMUJFWSA-N 1 0 249.358 1.743 10 0 BDAERO C1=CCC(C[N@@H+]2CC[C@H]3OCCN[C@@H]3C2)C1 ZINC000662283578 412074926 /nfs/dbraw/zinc/07/49/26/412074926.db2.gz AVNLJXJUGGLYMQ-CHWSQXEVSA-N 1 0 222.332 1.015 10 0 BDAERO CC[C@H](C)C[N@H+](C)[C@]1(CN)CN2CCC1CC2 ZINC000037172697 171273795 /nfs/dbraw/zinc/27/37/95/171273795.db2.gz RBMUEOMNXBNSIR-GXTWGEPZSA-N 1 0 239.407 1.387 10 0 BDAERO CC[C@H](C)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344026909 171282578 /nfs/dbraw/zinc/28/25/78/171282578.db2.gz JPGKKKAYZCVFNC-GARJFASQSA-N 1 0 201.310 1.114 10 0 BDAERO CC[C@H](C)[N@H+](CC)[C@]1(CN)CN2CCC1CC2 ZINC000037112695 171312387 /nfs/dbraw/zinc/31/23/87/171312387.db2.gz IKLLLQPLTYARHP-GXTWGEPZSA-N 1 0 239.407 1.530 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)N(CC)C[C@@H](C)C[NH3+] ZINC000042442789 171331804 /nfs/dbraw/zinc/33/18/04/171331804.db2.gz HCNLNPCWDAHBKL-SDDRHHMPSA-N 1 0 243.395 1.206 10 0 BDAERO CC[C@H](C)[NH2+]C1(C(N)=O)Cc2ccccc2C1 ZINC000038065121 171339764 /nfs/dbraw/zinc/33/97/64/171339764.db2.gz IYSOSWOZIQZPRK-JTQLQIEISA-N 1 0 232.327 1.397 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@H](C)C(C)C ZINC000040460324 171393448 /nfs/dbraw/zinc/39/34/48/171393448.db2.gz XWSBGJLAQJRPJX-AXFHLTTASA-N 1 0 214.353 1.863 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1nnc2ccccn21 ZINC000019426145 171397220 /nfs/dbraw/zinc/39/72/20/171397220.db2.gz CCRAKYARYUMUBQ-WPRPVWTQSA-N 1 0 204.277 1.775 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])c1nnc2ccc(C)nn21 ZINC000050194451 171398068 /nfs/dbraw/zinc/39/80/68/171398068.db2.gz VMBVIRTURJGMON-XVKPBYJWSA-N 1 0 219.292 1.479 10 0 BDAERO C[C@]1(C(F)F)C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000662368158 412125747 /nfs/dbraw/zinc/12/57/47/412125747.db2.gz YDVWWMZJMKBYDN-FXPVBKGRSA-N 1 0 235.274 1.256 10 0 BDAERO CC[C@H](COC)[NH2+]CCn1cc(C)cn1 ZINC000124010623 171459126 /nfs/dbraw/zinc/45/91/26/171459126.db2.gz PNHDYBXRNLCUBD-LLVKDONJSA-N 1 0 211.309 1.206 10 0 BDAERO C[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1cscn1 ZINC000665241088 412182414 /nfs/dbraw/zinc/18/24/14/412182414.db2.gz ZMMWVXRLZZCNNO-LPEHRKFASA-N 1 0 225.361 1.792 10 0 BDAERO CC[C@H]([NH3+])c1cnn(C[C@H]2CCOC2)c1 ZINC000054717317 171492097 /nfs/dbraw/zinc/49/20/97/171492097.db2.gz NRPWKHUUGLSQDA-KOLCDFICSA-N 1 0 209.293 1.329 10 0 BDAERO COCc1csc(CN[C@@H]2CC[NH2+]C2)c1 ZINC000665263637 412207620 /nfs/dbraw/zinc/20/76/20/412207620.db2.gz QSVFOXAUTKJCSC-SNVBAGLBSA-N 1 0 226.345 1.346 10 0 BDAERO CC[C@H]([NH2+]C[C@@H]1COCCO1)C(C)(C)C ZINC000308902896 171526132 /nfs/dbraw/zinc/52/61/32/171526132.db2.gz BRTFLXOCAGCXPW-MNOVXSKESA-N 1 0 215.337 1.816 10 0 BDAERO [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000662435733 412173309 /nfs/dbraw/zinc/17/33/09/412173309.db2.gz OVLAIYZGOSFICW-YRGRVCCFSA-N 1 0 244.338 1.918 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC[C@H](C2CCC2)C1 ZINC000662711914 412279768 /nfs/dbraw/zinc/27/97/68/412279768.db2.gz CMSJJWOWSSZVGQ-STQMWFEESA-N 1 0 236.359 1.635 10 0 BDAERO CC[C@H]1CCCN1c1ncccc1C[NH3+] ZINC000037912814 171621959 /nfs/dbraw/zinc/62/19/59/171621959.db2.gz ZRZFSKJARGZZBA-NSHDSACASA-N 1 0 205.305 1.919 10 0 BDAERO CC[C@H]1CCc2[nH]c(=O)c(C[NH3+])cc2C1 ZINC000043404636 171648842 /nfs/dbraw/zinc/64/88/42/171648842.db2.gz KZEJXHOQLNXLTH-QMMMGPOBSA-N 1 0 206.289 1.349 10 0 BDAERO CO[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000662834015 412315284 /nfs/dbraw/zinc/31/52/84/412315284.db2.gz CHLCWYSYALBPEH-NEPJUHHUSA-N 1 0 242.363 1.387 10 0 BDAERO Cc1c(C[NH3+])c(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)nn1C ZINC000662836244 412316234 /nfs/dbraw/zinc/31/62/34/412316234.db2.gz XDKJASIKSMIAPR-ILWJIGKKSA-N 1 0 248.330 1.172 10 0 BDAERO CO[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000662836298 412317080 /nfs/dbraw/zinc/31/70/80/412317080.db2.gz YFVFQADCTGITFN-RYUDHWBXSA-N 1 0 240.347 1.014 10 0 BDAERO CC[C@H]1COCCN1C[C@@H](C)C[NH2+]CC(C)C ZINC000052481406 171671638 /nfs/dbraw/zinc/67/16/38/171671638.db2.gz YLDASPUMDIBGSS-KBPBESRZSA-N 1 0 242.407 1.979 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC1CC2(CCC2)C1 ZINC000662908136 412342079 /nfs/dbraw/zinc/34/20/79/412342079.db2.gz ZFLHAAFPJOGAQP-CMPLNLGQSA-N 1 0 236.359 1.810 10 0 BDAERO O=C(NC1CC2(CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000662907395 412342554 /nfs/dbraw/zinc/34/25/54/412342554.db2.gz UNXHHNHXPANREN-VIFPVBQESA-N 1 0 208.305 1.045 10 0 BDAERO CCCOc1nccnc1NC[C@H]1CC[NH2+]C1 ZINC000630513684 412360134 /nfs/dbraw/zinc/36/01/34/412360134.db2.gz PCCHRRSJIOAHPG-JTQLQIEISA-N 1 0 236.319 1.287 10 0 BDAERO [NH3+]CCCOCCNc1ccc(Cl)cn1 ZINC000630534976 412299675 /nfs/dbraw/zinc/29/96/75/412299675.db2.gz RCHGLHBEERWWKJ-UHFFFAOYSA-N 1 0 229.711 1.512 10 0 BDAERO CCc1cc([C@@H](CCO)[NH2+]C)ccc1OC ZINC000071531124 171773795 /nfs/dbraw/zinc/77/37/95/171773795.db2.gz MYGSHWMLMFTZRZ-GFCCVEGCSA-N 1 0 223.316 1.901 10 0 BDAERO CCc1ccc(-n2nnnc2[C@H](C)[NH3+])cc1 ZINC000062494051 171781768 /nfs/dbraw/zinc/78/17/68/171781768.db2.gz AGBSQWIIDNKNTK-QMMMGPOBSA-N 1 0 217.276 1.244 10 0 BDAERO CCc1cc(CC)nc(N[C@@H](C)C[NH2+]C)n1 ZINC000663277729 412401221 /nfs/dbraw/zinc/40/12/21/412401221.db2.gz WZNUZXZECNRNLI-VIFPVBQESA-N 1 0 222.336 1.621 10 0 BDAERO CCCc1nccnc1NCCC[NH2+]CC ZINC000663271047 412403385 /nfs/dbraw/zinc/40/33/85/412403385.db2.gz WKFAJMAYNMZWDG-UHFFFAOYSA-N 1 0 222.336 1.841 10 0 BDAERO Clc1ccc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000663274382 412404495 /nfs/dbraw/zinc/40/44/95/412404495.db2.gz MYRBCVMACMODLR-UHFFFAOYSA-N 1 0 223.707 1.899 10 0 BDAERO CCCc1nccnc1N1CC[C@@](C)(C[NH3+])C1 ZINC000663272906 412404697 /nfs/dbraw/zinc/40/46/97/412404697.db2.gz SACZYNLESLKRNV-ZDUSSCGKSA-N 1 0 234.347 1.604 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ccc(OC(F)F)cn1 ZINC000663278287 412407190 /nfs/dbraw/zinc/40/71/90/412407190.db2.gz FXKPGTYHDPQISX-ZETCQYMHSA-N 1 0 231.246 1.703 10 0 BDAERO C[NH2+]C[C@H](C)Nc1nc2ccccc2o1 ZINC000663278283 412407239 /nfs/dbraw/zinc/40/72/39/412407239.db2.gz FXDRJLRGOCEQNZ-QMMMGPOBSA-N 1 0 205.261 1.848 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ccc(OC(F)F)cn1 ZINC000663278285 412407408 /nfs/dbraw/zinc/40/74/08/412407408.db2.gz FXKPGTYHDPQISX-SSDOTTSWSA-N 1 0 231.246 1.703 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nc(C2CC2)ns1 ZINC000663279492 412408574 /nfs/dbraw/zinc/40/85/74/412408574.db2.gz RKIBYGIGRTXANW-ZCFIWIBFSA-N 1 0 212.322 1.435 10 0 BDAERO CCc1ccc([C@H]2C[C@@]2(C[NH3+])CO)cc1 ZINC000070500190 171845713 /nfs/dbraw/zinc/84/57/13/171845713.db2.gz UZYJKJJTRQANDA-CHWSQXEVSA-N 1 0 205.301 1.674 10 0 BDAERO CCc1cccc(OC[C@H](C[NH3+])N(C)C)c1 ZINC000020400030 171866240 /nfs/dbraw/zinc/86/62/40/171866240.db2.gz RBOGUMGZINLFPU-LBPRGKRZSA-N 1 0 222.332 1.517 10 0 BDAERO CCc1cccc2c([C@@H](O)C[NH3+])c[nH]c21 ZINC000071487873 171868613 /nfs/dbraw/zinc/86/86/13/171868613.db2.gz KRFODTFAWLOKDW-NSHDSACASA-N 1 0 204.273 1.722 10 0 BDAERO CCc1ccccc1[C@H]1C[C@]1(C[NH3+])CO ZINC000070500598 171893451 /nfs/dbraw/zinc/89/34/51/171893451.db2.gz JWYAUCODAGBFNU-OLZOCXBDSA-N 1 0 205.301 1.674 10 0 BDAERO CCc1nc2ccccc2n1CCC[NH3+] ZINC000020223191 172014453 /nfs/dbraw/zinc/01/44/53/172014453.db2.gz CUHJDYMPCREIGC-UHFFFAOYSA-N 1 0 203.289 1.948 10 0 BDAERO CCc1nccn1CC[C@@H]1CCCC[NH2+]1 ZINC000042420121 172024698 /nfs/dbraw/zinc/02/46/98/172024698.db2.gz DCJGYYRUGSZCIR-NSHDSACASA-N 1 0 207.321 1.978 10 0 BDAERO CCc1nccn1[C@H]1CCC[N@H+](CCO)C1 ZINC000177713349 172028716 /nfs/dbraw/zinc/02/87/16/172028716.db2.gz MTQGJFSFCSFRKE-NSHDSACASA-N 1 0 223.320 1.075 10 0 BDAERO CCc1nnc(NC[C@H]2CC[NH2+]C2)nc1CC ZINC000097838065 172059960 /nfs/dbraw/zinc/05/99/60/172059960.db2.gz JICFRZCOZPWUKP-VIFPVBQESA-N 1 0 235.335 1.018 10 0 BDAERO CCc1nnc2n1C[C@@H]([NH2+]C(C)C)CC2 ZINC000375834465 172068674 /nfs/dbraw/zinc/06/86/74/172068674.db2.gz XYXKLOXOJBUURF-VIFPVBQESA-N 1 0 208.309 1.153 10 0 BDAERO CCc1nnc2sc([C@@H]3CCC[NH2+]C3)nn12 ZINC000033466118 172068827 /nfs/dbraw/zinc/06/88/27/172068827.db2.gz JWGCQNQUEWAMRV-SSDOTTSWSA-N 1 0 237.332 1.215 10 0 BDAERO CCn1c(C)nnc1CNC(C)(C)C[NH+](C)C ZINC000338731026 172138638 /nfs/dbraw/zinc/13/86/38/172138638.db2.gz NQCGVXFFBLJVTQ-UHFFFAOYSA-N 1 0 239.367 1.036 10 0 BDAERO CCn1c2cccc(F)c2nc1CC[NH3+] ZINC000037442611 172143243 /nfs/dbraw/zinc/14/32/43/172143243.db2.gz QGNQKXFWDZTCDI-UHFFFAOYSA-N 1 0 207.252 1.697 10 0 BDAERO CCn1cc(-c2csc(C[C@@H](C)[NH3+])n2)cn1 ZINC000054161085 172149052 /nfs/dbraw/zinc/14/90/52/172149052.db2.gz ZAHZNNZTULLMKS-MRVPVSSYSA-N 1 0 236.344 1.916 10 0 BDAERO CCn1cc(C[NH3+])c(-c2ccccn2)n1 ZINC000082639181 172161538 /nfs/dbraw/zinc/16/15/38/172161538.db2.gz LRRZGWOMHSCEBD-UHFFFAOYSA-N 1 0 202.261 1.424 10 0 BDAERO CCn1cc(C[NH2+][C@H]2CCCCC[C@H]2O)cn1 ZINC000135708053 172176471 /nfs/dbraw/zinc/17/64/71/172176471.db2.gz PGGUDOHGWBHRDV-QWHCGFSZSA-N 1 0 237.347 1.686 10 0 BDAERO CCn1cc(N2CC[C@H]([NH2+]C)C[C@@H]2C)cn1 ZINC000049711248 172178107 /nfs/dbraw/zinc/17/81/07/172178107.db2.gz HFLCITRXZFFBKO-QWRGUYRKSA-N 1 0 222.336 1.480 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000085609638 172208158 /nfs/dbraw/zinc/20/81/58/172208158.db2.gz BXFBZHVQAQYBCR-GFCCVEGCSA-N 1 0 208.305 1.369 10 0 BDAERO CCn1cccc1C[NH2+]C[C@H]1CCOC1 ZINC000085608963 172208248 /nfs/dbraw/zinc/20/82/48/172208248.db2.gz CBPBGYYSGFTQMB-LLVKDONJSA-N 1 0 208.305 1.634 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)[C@H](C)CO ZINC000228708246 172210024 /nfs/dbraw/zinc/21/00/24/172210024.db2.gz IAKNVUMCXUMCRL-MNOVXSKESA-N 1 0 210.321 1.615 10 0 BDAERO CCn1ccnc(N[C@@H](C)CCCC[NH3+])c1=O ZINC000310313791 172211729 /nfs/dbraw/zinc/21/17/29/172211729.db2.gz FGWUUGHXMCJSRB-JTQLQIEISA-N 1 0 238.335 1.193 10 0 BDAERO CCn1ccnc1CN1CCCC[C@H]1C[NH3+] ZINC000054743839 172220400 /nfs/dbraw/zinc/22/04/00/172220400.db2.gz RNAMMAPVAMZEBR-NSHDSACASA-N 1 0 222.336 1.216 10 0 BDAERO CCn1ccnc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000051923450 172223513 /nfs/dbraw/zinc/22/35/13/172223513.db2.gz ZZMVKNALVXGWLF-WDEREUQCSA-N 1 0 223.320 1.296 10 0 BDAERO CCn1ccnc1N1C[C@H](C[NH3+])CC[C@@H]1C ZINC000053704632 172225817 /nfs/dbraw/zinc/22/58/17/172225817.db2.gz CBEHAMZRHJYSCY-QWRGUYRKSA-N 1 0 222.336 1.467 10 0 BDAERO CCn1ccnc1OCC1CC[NH2+]CC1 ZINC000051869933 172228416 /nfs/dbraw/zinc/22/84/16/172228416.db2.gz WPAAYIAMKMSXPB-UHFFFAOYSA-N 1 0 209.293 1.281 10 0 BDAERO CCn1cnnc1[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000054497788 172239361 /nfs/dbraw/zinc/23/93/61/172239361.db2.gz LUPDGCUGEMTCLZ-GFCCVEGCSA-N 1 0 249.362 1.187 10 0 BDAERO CCn1cnnc1[C@H](C[NH3+])c1ccccc1 ZINC000061609619 172240039 /nfs/dbraw/zinc/24/00/39/172240039.db2.gz KIBRCLPLDRPSLY-LLVKDONJSA-N 1 0 216.288 1.389 10 0 BDAERO CCn1nc(C)c([C@@H](C)[NH2+]CCOC)c1C ZINC000045166924 172249119 /nfs/dbraw/zinc/24/91/19/172249119.db2.gz NYICGYDVJWDHIY-SECBINFHSA-N 1 0 225.336 1.817 10 0 BDAERO CN(C(=O)/C=C/c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000104349703 172293666 /nfs/dbraw/zinc/29/36/66/172293666.db2.gz FVBUXTVYLNGDHC-HBWSCVEGSA-N 1 0 244.338 1.910 10 0 BDAERO CN(C(=O)C(C)(C)C[NH3+])c1ccccn1 ZINC000044751506 172294989 /nfs/dbraw/zinc/29/49/89/172294989.db2.gz WKZVSQNHGVYCQN-UHFFFAOYSA-N 1 0 207.277 1.029 10 0 BDAERO CN(C(=O)C1(C[NH3+])CCCCC1)C1CC1 ZINC000044762444 172296616 /nfs/dbraw/zinc/29/66/16/172296616.db2.gz KTUUTKGHNXTMPR-UHFFFAOYSA-N 1 0 210.321 1.516 10 0 BDAERO CN(C(=O)C1(C[NH3+])CCC1)C1CCCC1 ZINC000082641492 172297055 /nfs/dbraw/zinc/29/70/55/172297055.db2.gz GLRNHSVKKUOLSE-UHFFFAOYSA-N 1 0 210.321 1.516 10 0 BDAERO CN(C(=O)C1CCC([NH3+])CC1)[C@@H]1CCSC1 ZINC000037482009 172298434 /nfs/dbraw/zinc/29/84/34/172298434.db2.gz SKDWNDRYVTXUKA-VQXHTEKXSA-N 1 0 242.388 1.468 10 0 BDAERO CN(C(=O)Cc1ccc(O)cc1)[C@H]1CCC[NH2+]C1 ZINC000037540935 172315238 /nfs/dbraw/zinc/31/52/38/172315238.db2.gz MGWUJFRJXAYXMS-LBPRGKRZSA-N 1 0 248.326 1.145 10 0 BDAERO CN(C(=O)NC1CCCC1)C(C)(C)C[NH3+] ZINC000082642387 172318264 /nfs/dbraw/zinc/31/82/64/172318264.db2.gz XIJXBDHVNSLIBM-UHFFFAOYSA-N 1 0 213.325 1.308 10 0 BDAERO CN(C(=O)[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000019814201 172333431 /nfs/dbraw/zinc/33/34/31/172333431.db2.gz PEIWRUJHPWMHLY-JTQLQIEISA-N 1 0 219.288 1.044 10 0 BDAERO CN(C(=O)[C@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000090289795 172334080 /nfs/dbraw/zinc/33/40/80/172334080.db2.gz ZLUGSLRAAFSCHA-AWEZNQCLSA-N 1 0 244.338 1.537 10 0 BDAERO CN(C(=O)[C@H]1Cc2ccccc2S1)C1C[NH2+]C1 ZINC000092232500 172336001 /nfs/dbraw/zinc/33/60/01/172336001.db2.gz UTIDICJFLJTQPL-GFCCVEGCSA-N 1 0 248.351 1.134 10 0 BDAERO CN(C(=O)c1cc2ccccc2s1)C1C[NH2+]C1 ZINC000090289840 172338201 /nfs/dbraw/zinc/33/82/01/172338201.db2.gz VGYODFKVLRVXHC-UHFFFAOYSA-N 1 0 246.335 1.945 10 0 BDAERO CN(C(=O)c1ccc(F)c(F)c1F)C1C[NH2+]C1 ZINC000094185147 172340543 /nfs/dbraw/zinc/34/05/43/172340543.db2.gz DOSHZGKIXDJDDM-UHFFFAOYSA-N 1 0 244.216 1.148 10 0 BDAERO CN(C)C(=O)CCOc1cccc(CC[NH3+])c1 ZINC000037898294 172361831 /nfs/dbraw/zinc/36/18/31/172361831.db2.gz CGHSJNTXXXATBV-UHFFFAOYSA-N 1 0 236.315 1.045 10 0 BDAERO CN(C)C(=O)C[N@H+](C)[C@H]1CNc2ccccc2C1 ZINC000037761124 172364252 /nfs/dbraw/zinc/36/42/52/172364252.db2.gz UPSQBQAWDJEKLT-GFCCVEGCSA-N 1 0 247.342 1.043 10 0 BDAERO CN(C)C(=O)N(C)c1ccccc1C[NH3+] ZINC000082640365 172376595 /nfs/dbraw/zinc/37/65/95/172376595.db2.gz QMCAWSISXYETQY-UHFFFAOYSA-N 1 0 207.277 1.263 10 0 BDAERO CN(C)C(=O)Nc1ccc(F)cc1C[NH3+] ZINC000082641573 172382004 /nfs/dbraw/zinc/38/20/04/172382004.db2.gz GZURFALDKUAFNE-UHFFFAOYSA-N 1 0 211.240 1.378 10 0 BDAERO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106429687 172383372 /nfs/dbraw/zinc/38/33/72/172383372.db2.gz ZCMVKWHJRZGVRI-GFCCVEGCSA-N 1 0 220.316 1.248 10 0 BDAERO CN(C)C(=O)[C@H](C[NH3+])Cc1ccc(F)cc1F ZINC000050304582 172384644 /nfs/dbraw/zinc/38/46/44/172384644.db2.gz CKBOJVNOEQUZBC-VIFPVBQESA-N 1 0 242.269 1.170 10 0 BDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000112696762 172386275 /nfs/dbraw/zinc/38/62/75/172386275.db2.gz TYFQPMPLBFTPNJ-LLVKDONJSA-N 1 0 226.364 1.975 10 0 BDAERO C[NH+](C)C(C)(C)CNc1ncnc(Cl)c1N ZINC000062363919 172397704 /nfs/dbraw/zinc/39/77/04/172397704.db2.gz MCQOTIZGPPXERQ-UHFFFAOYSA-N 1 0 243.742 1.464 10 0 BDAERO C[NH+](C)C(C)(C)c1nc2c(cccc2C(N)=O)[nH]1 ZINC000040936336 172398347 /nfs/dbraw/zinc/39/83/47/172398347.db2.gz VEJUKQSFQCPCBW-UHFFFAOYSA-N 1 0 246.314 1.459 10 0 BDAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(N)nc1 ZINC000061642869 172487551 /nfs/dbraw/zinc/48/75/51/172487551.db2.gz IKNFGDLNPROVIP-NSHDSACASA-N 1 0 220.320 1.194 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2cccc(F)n2)C1 ZINC000062983293 172527626 /nfs/dbraw/zinc/52/76/26/172527626.db2.gz XZVGISMJSITGPS-SECBINFHSA-N 1 0 209.268 1.361 10 0 BDAERO CN(C1CCOCC1)[C@H]1CCCC[NH2+]C1 ZINC000054135091 172598583 /nfs/dbraw/zinc/59/85/83/172598583.db2.gz POPYCIKJJGJYIQ-LBPRGKRZSA-N 1 0 212.337 1.239 10 0 BDAERO CN(C[C@@H]1CC[NH2+]C1)c1nc2ccccc2[nH]1 ZINC000095071260 172816511 /nfs/dbraw/zinc/81/65/11/172816511.db2.gz KCSHZAQZRTZCKM-SNVBAGLBSA-N 1 0 230.315 1.609 10 0 BDAERO CN(C[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000052379857 172819251 /nfs/dbraw/zinc/81/92/51/172819251.db2.gz UBCBROORNVNQJP-OLZOCXBDSA-N 1 0 220.316 1.629 10 0 BDAERO C[NH+]1CCC(n2c(N)nc3cccnc32)CC1 ZINC000075947908 173002142 /nfs/dbraw/zinc/00/21/42/173002142.db2.gz WPBMLCBUVYFZOY-UHFFFAOYSA-N 1 0 231.303 1.280 10 0 BDAERO CN1CCC[C@@]([NH3+])(c2ccc(F)cc2)C1 ZINC000084387307 173036034 /nfs/dbraw/zinc/03/60/34/173036034.db2.gz PMQHZPNICJTVKA-LBPRGKRZSA-N 1 0 208.280 1.705 10 0 BDAERO CN(CC(=O)c1ccc[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000053246097 173044592 /nfs/dbraw/zinc/04/45/92/173044592.db2.gz FDHRWPFKGHUDDH-NSHDSACASA-N 1 0 235.331 1.223 10 0 BDAERO CN(Cc1ccnc(N)c1)[C@H]1CCC[N@H+](C)C1 ZINC000053248583 173044981 /nfs/dbraw/zinc/04/49/81/173044981.db2.gz UXOMELPYOPZULR-LBPRGKRZSA-N 1 0 234.347 1.190 10 0 BDAERO CN1CCN(Cc2ccccc2)[C@@H](C(C)(C)[NH3+])C1 ZINC000096963460 173088145 /nfs/dbraw/zinc/08/81/45/173088145.db2.gz PNQDELXWKOGSKG-CQSZACIVSA-N 1 0 247.386 1.540 10 0 BDAERO CN1CC[NH2+][C@H](c2cccc3cccnc32)C1 ZINC000076187684 173097832 /nfs/dbraw/zinc/09/78/32/173097832.db2.gz XPAZEXQGTRDGMO-ZDUSSCGKSA-N 1 0 227.311 1.811 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000308837285 173101826 /nfs/dbraw/zinc/10/18/26/173101826.db2.gz WVCVYMDURMYFKD-QWRGUYRKSA-N 1 0 212.337 1.095 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000304492081 173108880 /nfs/dbraw/zinc/10/88/80/173108880.db2.gz BWZKHVYZUNZUDR-UMSGYPCISA-N 1 0 224.348 1.095 10 0 BDAERO C[N@@H+]1CC[C@@H](CN[C@@H]2COc3cc(O)ccc32)C1 ZINC000037646235 173117527 /nfs/dbraw/zinc/11/75/27/173117527.db2.gz IRBHUEHGLQXBIP-GXFFZTMASA-N 1 0 248.326 1.367 10 0 BDAERO C[N@@H+]1CC[C@@H](CNCc2ccccc2F)C1 ZINC000037484729 173117638 /nfs/dbraw/zinc/11/76/38/173117638.db2.gz FVXPZQHVWJSEIK-NSHDSACASA-N 1 0 222.307 1.867 10 0 BDAERO CN1CC[C@@H](NC2=[NH+]C(C)(C)CS2)C1 ZINC000042548589 173124821 /nfs/dbraw/zinc/12/48/21/173124821.db2.gz RZWCLNYABZHVKR-MRVPVSSYSA-N 1 0 213.350 1.162 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2cc(N)cc(F)c2)C1 ZINC000042545082 173125555 /nfs/dbraw/zinc/12/55/55/173125555.db2.gz LCFKNLIHQJPYIO-SNVBAGLBSA-N 1 0 209.268 1.524 10 0 BDAERO CN1CC[C@@H](n2cc(Br)cn2)C1 ZINC000082348088 173127844 /nfs/dbraw/zinc/12/78/44/173127844.db2.gz KGGXVQYSQNXFMA-MRVPVSSYSA-N 1 0 230.109 1.522 10 0 BDAERO CN1CC[C@@H](n2nccc2Br)C1 ZINC000082348080 173128132 /nfs/dbraw/zinc/12/81/32/173128132.db2.gz NQLHNAYHRUVQFF-SSDOTTSWSA-N 1 0 230.109 1.522 10 0 BDAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccccc1N ZINC000104153478 173143324 /nfs/dbraw/zinc/14/33/24/173143324.db2.gz JNBORQABKBPOKU-NSHDSACASA-N 1 0 247.342 1.293 10 0 BDAERO CN1CC[C@H](C[N@H+](C)C[C@@H]2CCCCC2=O)C1 ZINC000071191192 173144108 /nfs/dbraw/zinc/14/41/08/173144108.db2.gz WIXUCZJEYHKIAN-STQMWFEESA-N 1 0 238.375 1.629 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ncccc2F)C1 ZINC000054700623 173147076 /nfs/dbraw/zinc/14/70/76/173147076.db2.gz LDYIIPQHRHVGCT-SECBINFHSA-N 1 0 209.268 1.584 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ccc(N)cn2)C1 ZINC000037484589 173147675 /nfs/dbraw/zinc/14/76/75/173147675.db2.gz SOLZWERKOLGXQP-SECBINFHSA-N 1 0 206.293 1.027 10 0 BDAERO CN1CC[C@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000042546597 173153329 /nfs/dbraw/zinc/15/33/29/173153329.db2.gz UUNNDHNTJBEDTG-LBPRGKRZSA-N 1 0 226.364 1.365 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccc(F)c(C(N)=O)c2)C1 ZINC000061985794 173154922 /nfs/dbraw/zinc/15/49/22/173154922.db2.gz OAHXACVVDUMQLC-VIFPVBQESA-N 1 0 237.278 1.041 10 0 BDAERO C[N@@H+]1CC[C@H]2COc3c(O)cccc3[C@H]21 ZINC000013861442 173162128 /nfs/dbraw/zinc/16/21/28/173162128.db2.gz QRBVXHWNCSOPKB-KWQFWETISA-N 1 0 205.257 1.777 10 0 BDAERO CN1C[C@@H](C[NH3+])c2cccc(Br)c21 ZINC000071484116 173183618 /nfs/dbraw/zinc/18/36/18/173183618.db2.gz GJLYGCQGQANSFF-SSDOTTSWSA-N 1 0 241.132 1.941 10 0 BDAERO C[N@H+]1C[C@H]2CN(C/C=C/Cl)C[C@H]2C1 ZINC000193596829 173197967 /nfs/dbraw/zinc/19/79/67/173197967.db2.gz TVIXOVYFPSBSAY-YHJVAAGRSA-N 1 0 200.713 1.232 10 0 BDAERO Cn1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1=O ZINC000037785548 173206042 /nfs/dbraw/zinc/20/60/42/173206042.db2.gz HSXJQDCYRILOBD-YHWZYXNKSA-N 1 0 247.342 1.422 10 0 BDAERO CNC(=O)CCOc1ccc([C@H](C)[NH2+]C)cc1 ZINC000051757114 173261519 /nfs/dbraw/zinc/26/15/19/173261519.db2.gz YPERSGHGIWEYBP-JTQLQIEISA-N 1 0 236.315 1.482 10 0 BDAERO CNC(=O)CC[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000076619176 173262754 /nfs/dbraw/zinc/26/27/54/173262754.db2.gz LAZYEVYZLUVHRP-NSHDSACASA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000268709248 173277387 /nfs/dbraw/zinc/27/73/87/173277387.db2.gz FZGWVAFGTHSVTQ-VIFPVBQESA-N 1 0 224.279 1.531 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000037254037 173278287 /nfs/dbraw/zinc/27/82/87/173278287.db2.gz LOKRHRZPGUUCHE-JTQLQIEISA-N 1 0 206.289 1.392 10 0 BDAERO CNC(=O)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000037207541 173278652 /nfs/dbraw/zinc/27/86/52/173278652.db2.gz BVURKTAPPLREDT-MRVPVSSYSA-N 1 0 210.252 1.222 10 0 BDAERO CNC(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000041226575 173281382 /nfs/dbraw/zinc/28/13/82/173281382.db2.gz ZBTAECVWRUDJLB-SECBINFHSA-N 1 0 212.680 1.476 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)c1scnc1C ZINC000042562097 173295475 /nfs/dbraw/zinc/29/54/75/173295475.db2.gz UMQQLFFKSNCZEP-HTQZYQBOSA-N 1 0 227.333 1.237 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000037723817 173296168 /nfs/dbraw/zinc/29/61/68/173296168.db2.gz SGKALCLADCWNNO-NXEZZACHSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@@H](CCC[NH3+])c1cccc(OC)c1 ZINC000076619111 173296472 /nfs/dbraw/zinc/29/64/72/173296472.db2.gz HKVZUZXZLHLSHT-LBPRGKRZSA-N 1 0 236.315 1.264 10 0 BDAERO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1N ZINC000042408203 173297704 /nfs/dbraw/zinc/29/77/04/173297704.db2.gz JECSYEIBDOUXSZ-ZDUSSCGKSA-N 1 0 247.342 1.369 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000037935060 173302411 /nfs/dbraw/zinc/30/24/11/173302411.db2.gz OAWHVDMHPKWIDI-NSHDSACASA-N 1 0 234.343 1.688 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000042560257 173303783 /nfs/dbraw/zinc/30/37/83/173303783.db2.gz WQBKMAKJVIDVSL-BDAKNGLRSA-N 1 0 222.288 1.177 10 0 BDAERO CNC(=O)[C@H](C)n1c(N)[nH+]c2cc(C)ccc21 ZINC000042572360 173304401 /nfs/dbraw/zinc/30/44/01/173304401.db2.gz YGBKAKILSQLLIF-QMMMGPOBSA-N 1 0 232.287 1.234 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C[NH3+] ZINC000036894909 173304430 /nfs/dbraw/zinc/30/44/30/173304430.db2.gz OJYCUZNZWPLPCA-ZETCQYMHSA-N 1 0 242.706 1.312 10 0 BDAERO CNC(=O)[C@H](C[NH3+])Cc1ccc2ccccc2c1 ZINC000050303760 173304548 /nfs/dbraw/zinc/30/45/48/173304548.db2.gz ARJYEWXOHXRVPO-AWEZNQCLSA-N 1 0 242.322 1.703 10 0 BDAERO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(N)c1C ZINC000042391341 173307114 /nfs/dbraw/zinc/30/71/14/173307114.db2.gz WJPXYPLUWLQXDY-CYBMUJFWSA-N 1 0 247.342 1.288 10 0 BDAERO CNC(=O)c1cc(C[NH3+])ccc1OC1CC1 ZINC000095737982 173309416 /nfs/dbraw/zinc/30/94/16/173309416.db2.gz MYDGHUYMRORHQH-UHFFFAOYSA-N 1 0 220.272 1.046 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1cscn1 ZINC000061318966 173317809 /nfs/dbraw/zinc/31/78/09/173317809.db2.gz OFOSTGPHYFTXOL-UHFFFAOYSA-N 1 0 227.333 1.100 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)C[C@H]1CCCCO1 ZINC000061318813 173317965 /nfs/dbraw/zinc/31/79/65/173317965.db2.gz SZSOQPPZLXGENP-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1ccccc1Cl ZINC000061300116 173318313 /nfs/dbraw/zinc/31/83/13/173318313.db2.gz QQWDFDAORRNJSM-UHFFFAOYSA-N 1 0 240.734 1.954 10 0 BDAERO C[NH2+]C(C)(C)CN(C)[C@@H]1CCSC1 ZINC000061319569 173319206 /nfs/dbraw/zinc/31/92/06/173319206.db2.gz YVWBZEBFFFGOCA-SECBINFHSA-N 1 0 202.367 1.422 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@]1(CO)CCC[C@@H](C)C1 ZINC000061319316 173318644 /nfs/dbraw/zinc/31/86/44/173318644.db2.gz SVEDIWRZKUDTAC-ZWNOBZJWSA-N 1 0 242.363 1.042 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCCCc1ccccc1 ZINC000061316601 173318663 /nfs/dbraw/zinc/31/86/63/173318663.db2.gz LPWSOOXIYKDSCY-UHFFFAOYSA-N 1 0 234.343 1.733 10 0 BDAERO C[NH2+]C(C)(C)CN(C)[C@H]1CCSC1 ZINC000061319570 173319133 /nfs/dbraw/zinc/31/91/33/173319133.db2.gz YVWBZEBFFFGOCA-VIFPVBQESA-N 1 0 202.367 1.422 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccccc1F ZINC000061300203 173319351 /nfs/dbraw/zinc/31/93/51/173319351.db2.gz LNPXRDNSXUCWQM-UHFFFAOYSA-N 1 0 210.252 1.762 10 0 BDAERO C[NH2+]C1(/C=C\COc2cccnc2)CC1 ZINC000029126959 173320916 /nfs/dbraw/zinc/32/09/16/173320916.db2.gz PIRMHMOTVGYPPY-HYXAFXHYSA-N 1 0 204.273 1.769 10 0 in-vitro BDAERO C[NH2+]CC(=O)NCCCc1ccc(C)cc1 ZINC000077331305 173328374 /nfs/dbraw/zinc/32/83/74/173328374.db2.gz JYYIDTYUECMNNK-UHFFFAOYSA-N 1 0 220.316 1.263 10 0 BDAERO C[NH2+]CC(=O)NCCCc1ccc2c(c1)CCC2 ZINC000077403299 173328658 /nfs/dbraw/zinc/32/86/58/173328658.db2.gz ZMLFPUSXIMFWNT-UHFFFAOYSA-N 1 0 246.354 1.444 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc(F)cc1F ZINC000077343036 173342015 /nfs/dbraw/zinc/34/20/15/173342015.db2.gz FJPSSIASYMXHNR-UHFFFAOYSA-N 1 0 229.226 1.618 10 0 BDAERO C[NH2+]CCCCCC(=O)N1CCCCC1 ZINC000077305140 173345400 /nfs/dbraw/zinc/34/54/00/173345400.db2.gz MGCOLRIPSMBZGS-UHFFFAOYSA-N 1 0 212.337 1.779 10 0 BDAERO C[NH2+]CCCN(C)c1cccc(C(C)=O)c1 ZINC000077331216 173347449 /nfs/dbraw/zinc/34/74/49/173347449.db2.gz CNCIVLVJCTWGKR-UHFFFAOYSA-N 1 0 220.316 1.935 10 0 BDAERO C[NH2+]CCCOCc1ccc2c(c1)CC(=O)N2 ZINC000077369317 173349496 /nfs/dbraw/zinc/34/94/96/173349496.db2.gz SLCRVSAYNTYILM-UHFFFAOYSA-N 1 0 234.299 1.307 10 0 BDAERO C[NH2+]CCCc1nnc2n1CCCCC2 ZINC000036925186 173351065 /nfs/dbraw/zinc/35/10/65/173351065.db2.gz FFGCCAJZDWXTCF-UHFFFAOYSA-N 1 0 208.309 1.157 10 0 BDAERO C[NH2+]CCN(C)CCc1ccc2oc(C)nc2c1 ZINC000077418232 173352980 /nfs/dbraw/zinc/35/29/80/173352980.db2.gz VCAZYTHPXNTSQY-UHFFFAOYSA-N 1 0 247.342 1.830 10 0 BDAERO C[NH2+]CC[C@@H](C)n1cc(Br)cn1 ZINC000052577455 173357491 /nfs/dbraw/zinc/35/74/91/173357491.db2.gz ZCQUBNXGSPFUNG-SSDOTTSWSA-N 1 0 232.125 1.816 10 0 BDAERO C[NH2+]CCOc1ncnc2sccc21 ZINC000051866698 173357670 /nfs/dbraw/zinc/35/76/70/173357670.db2.gz KFTKQIOTXMEIFE-UHFFFAOYSA-N 1 0 209.274 1.290 10 0 BDAERO C[NH2+]CCS(=O)(=O)Cc1ccc(C)cc1 ZINC000058827187 173357694 /nfs/dbraw/zinc/35/76/94/173357694.db2.gz WGAPSUCQCYPVOI-UHFFFAOYSA-N 1 0 227.329 1.129 10 0 BDAERO C[NH2+]CC[C@@H](O)CN(C)c1ccccc1Cl ZINC000077391685 173358279 /nfs/dbraw/zinc/35/82/79/173358279.db2.gz JMWFMYVUYWNATR-SNVBAGLBSA-N 1 0 242.750 1.747 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1cc(C)cc(C)c1 ZINC000077373173 173358958 /nfs/dbraw/zinc/35/89/58/173358958.db2.gz SRYISHOUEIWWGQ-AWEZNQCLSA-N 1 0 236.359 1.710 10 0 BDAERO C[NH2+]CCc1nc2cc(Cl)cnc2[nH]1 ZINC000019752700 173361074 /nfs/dbraw/zinc/36/10/74/173361074.db2.gz KVWLNBVSGXVSGL-UHFFFAOYSA-N 1 0 210.668 1.373 10 0 BDAERO C[NH2+]CCc1noc(-c2cccc(C)c2)n1 ZINC000049455648 173361667 /nfs/dbraw/zinc/36/16/67/173361667.db2.gz BXVSQZKBZCRKAH-UHFFFAOYSA-N 1 0 217.272 1.807 10 0 BDAERO C[NH2+]CCc1nc2cccnc2n1C1CC1 ZINC000082535677 173361699 /nfs/dbraw/zinc/36/16/99/173361699.db2.gz IGELZUHGGKRHEN-UHFFFAOYSA-N 1 0 216.288 1.528 10 0 BDAERO C[NH2+]CCc1nnc(-c2cccc(O)c2)o1 ZINC000050619674 173362121 /nfs/dbraw/zinc/36/21/21/173362121.db2.gz OFSBEMYZNFQGSZ-UHFFFAOYSA-N 1 0 219.244 1.204 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1nc2ccccc2nc1C ZINC000052099691 173364702 /nfs/dbraw/zinc/36/47/02/173364702.db2.gz GFRVFTAKUUXZGR-SECBINFHSA-N 1 0 231.299 1.925 10 0 BDAERO C[NH2+]C[C@@H](O)CN(C)[C@H](C)c1ccccc1 ZINC000077334478 173364787 /nfs/dbraw/zinc/36/47/87/173364787.db2.gz GHLIFMNGAXDQIX-DGCLKSJQSA-N 1 0 222.332 1.260 10 0 BDAERO C[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000019864665 173365549 /nfs/dbraw/zinc/36/55/49/173365549.db2.gz DQHDNCVCRGHKBE-LLVKDONJSA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1ccc(OC)cc1 ZINC000019686879 173365551 /nfs/dbraw/zinc/36/55/51/173365551.db2.gz RBDSBUCCXZRLBF-SECBINFHSA-N 1 0 227.329 1.368 10 0 BDAERO C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccccc1 ZINC000019864993 173365665 /nfs/dbraw/zinc/36/56/65/173365665.db2.gz WEAUMABBTUGJAO-CMPLNLGQSA-N 1 0 209.289 1.345 10 0 BDAERO C[NH2+]C[C@@H](O)COc1cccc(C(C)(C)C)c1 ZINC000033466168 173365772 /nfs/dbraw/zinc/36/57/72/173365772.db2.gz LYYSDHLIXPWGBI-GFCCVEGCSA-N 1 0 237.343 1.943 10 0 BDAERO C[NH2+]C[C@@H](O)CSc1cc(C)ccc1OC ZINC000019686931 173365895 /nfs/dbraw/zinc/36/58/95/173365895.db2.gz AMQBDDPEICQDEC-SNVBAGLBSA-N 1 0 241.356 1.676 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(N2CCCC2)cc1 ZINC000083017480 173365964 /nfs/dbraw/zinc/36/59/64/173365964.db2.gz HRBHSVAVZJRDJZ-CYBMUJFWSA-N 1 0 220.316 1.540 10 0 BDAERO C[NH2+]C[C@@H]1CN(Cc2ccccc2F)CCO1 ZINC000071548805 173371598 /nfs/dbraw/zinc/37/15/98/173371598.db2.gz ZYCYLSRIMWMONH-GFCCVEGCSA-N 1 0 238.306 1.246 10 0 BDAERO C[NH2+]C[C@@H]1CN(c2ccc(OC)cc2)C(=O)O1 ZINC000013833921 173371836 /nfs/dbraw/zinc/37/18/36/173371836.db2.gz DIVZDYOUEVZOMJ-LLVKDONJSA-N 1 0 236.271 1.240 10 0 BDAERO C[NH2+]C[C@@H]1NCCc2c(Cl)cccc21 ZINC000083667518 173372336 /nfs/dbraw/zinc/37/23/36/173372336.db2.gz WRQFJXAQUAHHHE-NSHDSACASA-N 1 0 210.708 1.746 10 0 BDAERO C[NH2+]C[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000054588893 173372385 /nfs/dbraw/zinc/37/23/85/173372385.db2.gz YQCIHASCUVORFM-QWRGUYRKSA-N 1 0 219.284 1.781 10 0 BDAERO C[NH2+]C[C@@](C)(O)Cc1cccc(OC)c1 ZINC000019684506 173372444 /nfs/dbraw/zinc/37/24/44/173372444.db2.gz DJUMHONGUXNJIY-LBPRGKRZSA-N 1 0 209.289 1.208 10 0 BDAERO C[NH2+]C[C@H](C)CN1CCc2sccc2C1 ZINC000052382909 173375726 /nfs/dbraw/zinc/37/57/26/173375726.db2.gz WBSDKEJITXYGAO-JTQLQIEISA-N 1 0 224.373 1.962 10 0 BDAERO C[NH2+]C[C@H](C)Cn1cc(Br)cn1 ZINC000052577682 173376041 /nfs/dbraw/zinc/37/60/41/173376041.db2.gz LZYMRASNKCDECG-ZETCQYMHSA-N 1 0 232.125 1.501 10 0 BDAERO C[NH2+]C[C@H](C)Sc1nnc(C)s1 ZINC000053622928 173376096 /nfs/dbraw/zinc/37/60/96/173376096.db2.gz ULRVCGBAIZDSQS-YFKPBYRVSA-N 1 0 203.336 1.547 10 0 BDAERO C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000019864965 173377005 /nfs/dbraw/zinc/37/70/05/173377005.db2.gz UURLPKLLTFVHFS-JSGCOSHPSA-N 1 0 235.327 1.661 10 0 BDAERO C[NH2+]C[C@H](c1ccccc1)n1cccn1 ZINC000052574960 173378229 /nfs/dbraw/zinc/37/82/29/173378229.db2.gz VKHOYMULUUQNFD-GFCCVEGCSA-N 1 0 201.273 1.692 10 0 BDAERO C[NH2+]C[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000040596064 173378903 /nfs/dbraw/zinc/37/89/03/173378903.db2.gz UBUISHUHVXETMK-LLVKDONJSA-N 1 0 210.321 1.411 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2cc(C)ccc2C(N)=O)C1 ZINC000071148012 173381480 /nfs/dbraw/zinc/38/14/80/173381480.db2.gz NVTPJXWGZBPDON-LLVKDONJSA-N 1 0 247.342 1.140 10 0 BDAERO C[NH2+]C[C@H]1CC[C@@H](Cn2ncc3ccccc32)O1 ZINC000052574207 173382733 /nfs/dbraw/zinc/38/27/33/173382733.db2.gz UHCCOVSHLPVRRC-OLZOCXBDSA-N 1 0 245.326 1.803 10 0 BDAERO C[NH2+]C[C@H]1CN(c2ccccc2C)C(=O)O1 ZINC000077330559 173382766 /nfs/dbraw/zinc/38/27/66/173382766.db2.gz UUXSEZQUAVMZJI-JTQLQIEISA-N 1 0 220.272 1.540 10 0 BDAERO C[NH2+]C[C@H]1CN(c2cccc(OC)c2)C(=O)O1 ZINC000077372201 173382797 /nfs/dbraw/zinc/38/27/97/173382797.db2.gz QDEBUODHPLUUEC-NSHDSACASA-N 1 0 236.271 1.240 10 0 BDAERO C[NH2+]C[C@H]1NCCc2c(Cl)cccc21 ZINC000083667517 173383402 /nfs/dbraw/zinc/38/34/02/173383402.db2.gz WRQFJXAQUAHHHE-LLVKDONJSA-N 1 0 210.708 1.746 10 0 BDAERO C[NH2+]C[C@]1(CN(C)Cc2ccncc2)CCOC1 ZINC000051218221 173384009 /nfs/dbraw/zinc/38/40/09/173384009.db2.gz WQWZQKCAJZJDTR-AWEZNQCLSA-N 1 0 249.358 1.140 10 0 BDAERO C[NH2+]Cc1c(C)nn(-c2ccccc2)c1N(C)C ZINC000034824279 173384433 /nfs/dbraw/zinc/38/44/33/173384433.db2.gz PNZJGMNJZYXDMH-UHFFFAOYSA-N 1 0 244.342 1.966 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N1CC[C@@H](C)C1 ZINC000040719280 173385227 /nfs/dbraw/zinc/38/52/27/173385227.db2.gz MMMMORDOAALTNA-SECBINFHSA-N 1 0 222.336 1.294 10 0 BDAERO C[NH2+]Cc1cc(CN2CCOCC2)oc1C ZINC000052377763 173386520 /nfs/dbraw/zinc/38/65/20/173386520.db2.gz GMJKGQIUPZUXGN-UHFFFAOYSA-N 1 0 224.304 1.140 10 0 BDAERO C[NH2+]Cc1ccc(OC[C@@H]2CCCCO2)nc1 ZINC000051524525 173389097 /nfs/dbraw/zinc/38/90/97/173389097.db2.gz KFKNIKLEFAKUBL-LBPRGKRZSA-N 1 0 236.315 1.749 10 0 BDAERO C[NH2+]Cc1cccc(OCCc2ccccn2)n1 ZINC000051543130 173389865 /nfs/dbraw/zinc/38/98/65/173389865.db2.gz PDEHGCSZHPOAHO-UHFFFAOYSA-N 1 0 243.310 1.818 10 0 BDAERO C[NH2+]Cc1ccccc1OCCn1ccnc1C ZINC000049329401 173390221 /nfs/dbraw/zinc/39/02/21/173390221.db2.gz GDLIKNGHZMFPJK-UHFFFAOYSA-N 1 0 245.326 1.990 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCCOCC2)c1 ZINC000061935344 173390974 /nfs/dbraw/zinc/39/09/74/173390974.db2.gz DPZKNTXZNXVRGP-UHFFFAOYSA-N 1 0 221.304 1.028 10 0 BDAERO C[NH2+]Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000054900483 173392633 /nfs/dbraw/zinc/39/26/33/173392633.db2.gz UYJKVTTTXGOEKO-RKDXNWHRSA-N 1 0 241.360 1.476 10 0 BDAERO C[NH2+]Cc1cnn([C@@H]2CCCC[C@@H]2O)c1 ZINC000054599997 173392838 /nfs/dbraw/zinc/39/28/38/173392838.db2.gz DNUDQBJZUJPLDS-MNOVXSKESA-N 1 0 209.293 1.079 10 0 BDAERO C[NH2+]Cc1cnn([C@H]2CCCC[C@@H]2O)c1 ZINC000054599998 173392907 /nfs/dbraw/zinc/39/29/07/173392907.db2.gz DNUDQBJZUJPLDS-QWRGUYRKSA-N 1 0 209.293 1.079 10 0 BDAERO C[NH2+]Cc1csc(-c2c(C)nn(C)c2C)n1 ZINC000041009988 173393561 /nfs/dbraw/zinc/39/35/61/173393561.db2.gz SQBBAPRNEIGPJL-UHFFFAOYSA-N 1 0 236.344 1.880 10 0 BDAERO C[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000037443590 173396217 /nfs/dbraw/zinc/39/62/17/173396217.db2.gz UTRUTMJVZDJPNH-UHFFFAOYSA-N 1 0 209.680 1.946 10 0 BDAERO C[NH2+]Cc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000042173024 173396415 /nfs/dbraw/zinc/39/64/15/173396415.db2.gz JNQADCLPKIGLSU-UHFFFAOYSA-N 1 0 221.260 1.300 10 0 BDAERO C[NH2+]Cc1nncn1-c1ccc(F)cc1 ZINC000061957999 173398520 /nfs/dbraw/zinc/39/85/20/173398520.db2.gz KTYGLXBDQPHFJP-UHFFFAOYSA-N 1 0 206.224 1.126 10 0 BDAERO C[NH2+][C@@H](C[C@H]1CCCO1)c1cccnc1 ZINC000037761978 173424697 /nfs/dbraw/zinc/42/46/97/173424697.db2.gz AZSHLQOEQBERNF-NEPJUHHUSA-N 1 0 206.289 1.911 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1Oc1ccc(C)cc1 ZINC000044058759 173437914 /nfs/dbraw/zinc/43/79/14/173437914.db2.gz WWGJUMOFLRLSOI-OLZOCXBDSA-N 1 0 221.300 1.751 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccccc1F ZINC000052395800 173444589 /nfs/dbraw/zinc/44/45/89/173444589.db2.gz OGWNECFQUQUHMH-MRVPVSSYSA-N 1 0 210.252 1.050 10 0 BDAERO C[NH2+][C@H](C)[C@@H](C)N1Cc2ccccc2C1 ZINC000050911161 173448001 /nfs/dbraw/zinc/44/80/01/173448001.db2.gz RKZRCZSHOMOSDX-GHMZBOCLSA-N 1 0 204.317 1.999 10 0 BDAERO C[NH2+][C@H]1CCN(CCc2cc(F)cc(F)c2)C1 ZINC000060718740 173465056 /nfs/dbraw/zinc/46/50/56/173465056.db2.gz PMNIGWQJVIEWHT-ZDUSSCGKSA-N 1 0 240.297 1.801 10 0 BDAERO C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000037242324 173465958 /nfs/dbraw/zinc/46/59/58/173465958.db2.gz DMWAGDOWYGKTJM-QMMMGPOBSA-N 1 0 212.243 1.763 10 0 BDAERO C[NH2+][C@H]1CCN(c2ccc(F)c(F)c2F)C1 ZINC000037240795 173467063 /nfs/dbraw/zinc/46/70/63/173467063.db2.gz ANIQVRZJEQLTLS-ZETCQYMHSA-N 1 0 230.233 1.902 10 0 BDAERO C[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(=O)[O-] ZINC000045378206 173469831 /nfs/dbraw/zinc/46/98/31/173469831.db2.gz HUFXQKAOQAVAHM-CYBMUJFWSA-N 1 0 242.363 1.705 10 0 BDAERO C[NH2+][C@](C)(C(N)=O)c1ccc(F)c(Cl)c1 ZINC000037459108 173469896 /nfs/dbraw/zinc/46/98/96/173469896.db2.gz AZLRSKKVMICALO-JTQLQIEISA-N 1 0 230.670 1.399 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H](c2ccccc2C)C1 ZINC000082162792 173823449 /nfs/dbraw/zinc/82/34/49/173823449.db2.gz YLDXDBBRSRCKQT-VXGBXAGGSA-N 1 0 233.311 1.861 10 0 BDAERO COC1CC[NH+]([C@H]2CCCCC[C@@H]2N)CC1 ZINC000037266038 174030419 /nfs/dbraw/zinc/03/04/19/174030419.db2.gz BDNAGMXYPLXNQP-STQMWFEESA-N 1 0 226.364 1.757 10 0 BDAERO COCC(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000022172921 174061705 /nfs/dbraw/zinc/06/17/05/174061705.db2.gz YZFQXXXOEKYVHS-QMMMGPOBSA-N 1 0 208.261 1.291 10 0 BDAERO COCCCCN1CCCC[C@H]1c1nc[nH]n1 ZINC000121653667 174190627 /nfs/dbraw/zinc/19/06/27/174190627.db2.gz HRCLAXQLKIPPEK-NSHDSACASA-N 1 0 238.335 1.758 10 0 BDAERO COCCC[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000036922847 174248939 /nfs/dbraw/zinc/24/89/39/174248939.db2.gz SWUGFMDEVKQJJP-NSHDSACASA-N 1 0 236.315 1.640 10 0 BDAERO COCCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273106825 174251471 /nfs/dbraw/zinc/25/14/71/174251471.db2.gz NDQIXMNFFGVYDL-GFCCVEGCSA-N 1 0 243.734 2.000 10 0 BDAERO COCCCO[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000042964023 174256205 /nfs/dbraw/zinc/25/62/05/174256205.db2.gz VYGUOWVLVGRFKZ-ZDUSSCGKSA-N 1 0 239.315 1.748 10 0 BDAERO COCCCO[C@H]1COc2ccccc2[C@H]1[NH3+] ZINC000037747202 174256719 /nfs/dbraw/zinc/25/67/19/174256719.db2.gz FUALDMVQHFXESA-QWHCGFSZSA-N 1 0 237.299 1.501 10 0 BDAERO COCCN(C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972456 174282159 /nfs/dbraw/zinc/28/21/59/174282159.db2.gz BLKDEKBGZNRTBB-ZWNOBZJWSA-N 1 0 240.322 1.792 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1ccccc1C ZINC000041241200 174282510 /nfs/dbraw/zinc/28/25/10/174282510.db2.gz RLLDFGPMAPMVCY-ZDUSSCGKSA-N 1 0 222.332 1.573 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1cccc(OC)c1 ZINC000041280492 174283891 /nfs/dbraw/zinc/28/38/91/174283891.db2.gz MKTYVKZYTUSJOW-CYBMUJFWSA-N 1 0 238.331 1.273 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1cccs1 ZINC000041227745 174284285 /nfs/dbraw/zinc/28/42/85/174284285.db2.gz QQXVYRBDEXIJRT-SECBINFHSA-N 1 0 214.334 1.326 10 0 BDAERO COCCN(C)[C@H](C[NH3+])c1cc(C)ccc1C ZINC000049670542 174284288 /nfs/dbraw/zinc/28/42/88/174284288.db2.gz ILSQESOBDXIKFD-CQSZACIVSA-N 1 0 236.359 1.881 10 0 BDAERO COCCN(CC1CCCCC1)C(=O)C[NH3+] ZINC000076613161 174290067 /nfs/dbraw/zinc/29/00/67/174290067.db2.gz DSVKZIGQMZVCEE-UHFFFAOYSA-N 1 0 228.336 1.000 10 0 BDAERO COCC[N@H+](CCO)C[C@H]1Cc2ccccc21 ZINC000164587718 174294189 /nfs/dbraw/zinc/29/41/89/174294189.db2.gz AQMNMUNZQZYKRX-CYBMUJFWSA-N 1 0 235.327 1.267 10 0 BDAERO COCC[NH+](CCOC)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000053859485 174296547 /nfs/dbraw/zinc/29/65/47/174296547.db2.gz XOFUFWCRUXMDSP-OLZOCXBDSA-N 1 0 244.379 1.099 10 0 BDAERO COCCN(C[C@H]([NH3+])C(C)(C)C)[C@H](C)COC ZINC000042607191 174296957 /nfs/dbraw/zinc/29/69/57/174296957.db2.gz WGIHYEGOABEWJQ-NEPJUHHUSA-N 1 0 246.395 1.343 10 0 BDAERO COCCN(c1ccc(C(N)=[NH2+])cc1)C1CC1 ZINC000042518430 174302671 /nfs/dbraw/zinc/30/26/71/174302671.db2.gz URJSNEUYCWONEQ-UHFFFAOYSA-N 1 0 233.315 1.586 10 0 BDAERO COCC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105895418 174308443 /nfs/dbraw/zinc/30/84/43/174308443.db2.gz ZZIXLJVMGFOUPH-LBPRGKRZSA-N 1 0 237.347 1.820 10 0 BDAERO COCC[NH2+]CCCc1ccc(OC)cc1 ZINC000041242648 174332899 /nfs/dbraw/zinc/33/28/99/174332899.db2.gz MSZYZBNAUXWFHV-UHFFFAOYSA-N 1 0 223.316 1.864 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1cc(F)ccc1OC ZINC000049831305 174333723 /nfs/dbraw/zinc/33/37/23/174333723.db2.gz CQPVDXQFOGNETM-LLVKDONJSA-N 1 0 243.278 1.104 10 0 BDAERO COCC[NH2+]C[C@H](O)CO[C@H]1CCC[C@@H](C)C1 ZINC000100480676 174334122 /nfs/dbraw/zinc/33/41/22/174334122.db2.gz DMSBXUTZFDRSHU-AGIUHOORSA-N 1 0 245.363 1.179 10 0 BDAERO COCC[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000037674770 174335818 /nfs/dbraw/zinc/33/58/18/174335818.db2.gz KMYKVRCWYMDGNV-UHFFFAOYSA-N 1 0 237.299 1.584 10 0 BDAERO COCC[NH2+]Cc1nc2c(cccc2F)n1C ZINC000104309410 174336952 /nfs/dbraw/zinc/33/69/52/174336952.db2.gz IOMPTDVYNWQQBC-UHFFFAOYSA-N 1 0 237.278 1.448 10 0 BDAERO COCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020085586 174338237 /nfs/dbraw/zinc/33/82/37/174338237.db2.gz IUUQXAORIXHPTL-QMMMGPOBSA-N 1 0 235.287 1.153 10 0 BDAERO COCCNc1nc2c(cc1C(N)=[NH2+])CCCC2 ZINC000053293058 174342884 /nfs/dbraw/zinc/34/28/84/174342884.db2.gz CUOAXJRFDGBQRZ-UHFFFAOYSA-N 1 0 248.330 1.303 10 0 BDAERO COCCO[C@@H](c1ccccc1OC)[C@H](C)[NH3+] ZINC000043099383 174365408 /nfs/dbraw/zinc/36/54/08/174365408.db2.gz WIBXACUWZCMOQR-GXFFZTMASA-N 1 0 239.315 1.747 10 0 BDAERO COCCOc1ccc([C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000034946301 174368753 /nfs/dbraw/zinc/36/87/53/174368753.db2.gz UEJNATKBSIYNBR-GXTWGEPZSA-N 1 0 233.311 1.573 10 0 BDAERO COCC[C@@H]([NH3+])c1nnc(C)n1C1CCCC1 ZINC000052785694 174392523 /nfs/dbraw/zinc/39/25/23/174392523.db2.gz JJBJDQFPLLCPQP-LLVKDONJSA-N 1 0 238.335 1.738 10 0 BDAERO COCC[C@@H]([NH3+])c1nc2c(cccc2F)n1C ZINC000052785259 174392983 /nfs/dbraw/zinc/39/29/83/174392983.db2.gz KQYDVAOTESNXCD-SECBINFHSA-N 1 0 237.278 1.749 10 0 BDAERO COC[C@@](C)([NH3+])Cc1ccc(F)cc1F ZINC000053173559 174521735 /nfs/dbraw/zinc/52/17/35/174521735.db2.gz KTXFJCZEMVJVAU-NSHDSACASA-N 1 0 215.243 1.871 10 0 BDAERO COCc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)o1 ZINC000305154696 174625297 /nfs/dbraw/zinc/62/52/97/174625297.db2.gz VKGYEPDQAGKXKI-ZWNOBZJWSA-N 1 0 239.315 1.677 10 0 BDAERO COCc1cccc(C[NH2+]CCN(C)C)c1 ZINC000038010937 174630276 /nfs/dbraw/zinc/63/02/76/174630276.db2.gz ZDCZVURCHSIRRC-UHFFFAOYSA-N 1 0 222.332 1.484 10 0 BDAERO COCc1ccccc1N1CC[C@@H]([NH3+])C1 ZINC000049508977 174634870 /nfs/dbraw/zinc/63/48/70/174634870.db2.gz DTODTQFEWSKSRM-LLVKDONJSA-N 1 0 206.289 1.370 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCCO)C12CCC2 ZINC000373350708 174785200 /nfs/dbraw/zinc/78/52/00/174785200.db2.gz PAVWRXRBLZARPI-GRYCIOLGSA-N 1 0 227.348 1.552 10 0 BDAERO COc1cc(CC[NH3+])cc(SC)c1OC ZINC000028766138 174977773 /nfs/dbraw/zinc/97/77/73/174977773.db2.gz MASUNTXHOBXSNG-UHFFFAOYSA-N 1 0 227.329 1.927 10 0 BDAERO Cc1cncc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000225813793 487629515 /nfs/dbraw/zinc/62/95/15/487629515.db2.gz KYMDNUNEXNIVFR-LLVKDONJSA-N 1 0 221.304 1.702 10 0 BDAERO COc1cc(OC)c(OC)c2c1C[C@H](C)[C@@H]2[NH3+] ZINC000041278597 175007018 /nfs/dbraw/zinc/00/70/18/175007018.db2.gz OSVHCRLKOGQMNV-MADCSZMMSA-N 1 0 237.299 1.904 10 0 BDAERO COc1cc(OC)c(CCC[NH3+])c(OC)c1 ZINC000043559443 175007142 /nfs/dbraw/zinc/00/71/42/175007142.db2.gz KEKUEKJVSVUDCC-UHFFFAOYSA-N 1 0 225.288 1.604 10 0 BDAERO COc1cc(OC)c2c(c1)[C@H](C)[NH2+]CC2 ZINC000011599377 175009500 /nfs/dbraw/zinc/00/95/00/175009500.db2.gz XAPXLKJVMINRPW-QMMMGPOBSA-N 1 0 207.273 1.911 10 0 BDAERO COc1cc(OC)cc([C@]2(F)CC[NH2+]C2)c1 ZINC000163332791 175010863 /nfs/dbraw/zinc/01/08/63/175010863.db2.gz VDOORMXVSYACQL-LBPRGKRZSA-N 1 0 225.263 1.862 10 0 BDAERO COc1cc([C@@H]([NH3+])CF)cc(OC)c1OC ZINC000020285874 175013769 /nfs/dbraw/zinc/01/37/69/175013769.db2.gz WYIRHSHNPBGLRE-QMMMGPOBSA-N 1 0 229.251 1.682 10 0 BDAERO COc1cc([C@@H](C)O)ccc1OCC[NH+](C)C ZINC000035626688 175014412 /nfs/dbraw/zinc/01/44/12/175014412.db2.gz DIWHZFMVXOGDGP-SNVBAGLBSA-N 1 0 239.315 1.689 10 0 BDAERO COc1cc([C@H](O)CC[NH3+])cc(OC)c1OC ZINC000087347455 175016509 /nfs/dbraw/zinc/01/65/09/175016509.db2.gz IGEKNGOSFRKULQ-SECBINFHSA-N 1 0 241.287 1.095 10 0 BDAERO COc1cc([C@H]2C[C@@H]2[NH3+])cc(OC)c1OC ZINC000002018189 175016578 /nfs/dbraw/zinc/01/65/78/175016578.db2.gz HNYWYOQSLRJIMG-BDAKNGLRSA-N 1 0 223.272 1.527 10 0 BDAERO COc1cc([C@H]2CC[NH2+]C[C@H]2F)ccn1 ZINC000098091657 175017160 /nfs/dbraw/zinc/01/71/60/175017160.db2.gz OMRPPBFHBGUSSB-NXEZZACHSA-N 1 0 210.252 1.505 10 0 BDAERO COc1cc([C@H]([NH3+])CF)cc(OC)c1OC ZINC000020285876 175017223 /nfs/dbraw/zinc/01/72/23/175017223.db2.gz WYIRHSHNPBGLRE-MRVPVSSYSA-N 1 0 229.251 1.682 10 0 BDAERO COc1cc2c(c(OC)c1OC)CC[C@H]2C[NH3+] ZINC000035569551 175020429 /nfs/dbraw/zinc/02/04/29/175020429.db2.gz AFTIZGHFDCOQFS-QMMMGPOBSA-N 1 0 237.299 1.701 10 0 in-vivo BDAERO COc1cc2c(c(OC)c1OC)[C@H]([NH3+])[C@H](C)C2 ZINC000041278599 175020545 /nfs/dbraw/zinc/02/05/45/175020545.db2.gz RXRAQVBVOBLXGE-RDDDGLTNSA-N 1 0 237.299 1.904 10 0 BDAERO COc1cc2c(c(OC)c1OC)CC[C@@H]2C[NH3+] ZINC000035569548 175020925 /nfs/dbraw/zinc/02/09/25/175020925.db2.gz AFTIZGHFDCOQFS-MRVPVSSYSA-N 1 0 237.299 1.701 10 0 in-vivo BDAERO COc1cc2scnc2cc1CC[NH3+] ZINC000082321917 175028770 /nfs/dbraw/zinc/02/87/70/175028770.db2.gz GRCNUISJZAVSOZ-UHFFFAOYSA-N 1 0 208.286 1.806 10 0 BDAERO COc1ccc(-c2cncnc2)cc1C[NH3+] ZINC000052886601 175036891 /nfs/dbraw/zinc/03/68/91/175036891.db2.gz PXWQDZHHJQXAKN-UHFFFAOYSA-N 1 0 215.256 1.611 10 0 BDAERO COc1ccc(-c2nc([C@@H](C)[NH3+])no2)cc1 ZINC000041052228 175039681 /nfs/dbraw/zinc/03/96/81/175039681.db2.gz PUXJMWWWZLUGFS-SSDOTTSWSA-N 1 0 219.244 1.765 10 0 BDAERO COc1ccc(-c2nnc(CC[NH3+])s2)cc1 ZINC000040541854 175041444 /nfs/dbraw/zinc/04/14/44/175041444.db2.gz LFSZLWOJWATUKL-UHFFFAOYSA-N 1 0 235.312 1.715 10 0 BDAERO COc1ccc(/C(=C/F)C[NH3+])cc1OC ZINC000095934850 175045977 /nfs/dbraw/zinc/04/59/77/175045977.db2.gz HLNSVKSSCLHOSW-RMKNXTFCSA-N 1 0 211.236 1.973 10 0 BDAERO COc1ccc(C(=O)CN2CC[NH2+]CC2)c(C)c1 ZINC000071453347 175053820 /nfs/dbraw/zinc/05/38/20/175053820.db2.gz SPYXJXLLZJDHSS-UHFFFAOYSA-N 1 0 248.326 1.092 10 0 BDAERO COc1ccc(C(C)C)cc1[C@H](N)C[NH3+] ZINC000044472855 175069182 /nfs/dbraw/zinc/06/91/82/175069182.db2.gz LCDJSMQXWVALGC-LLVKDONJSA-N 1 0 208.305 1.777 10 0 BDAERO COc1ccc(C)cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000052943835 175072874 /nfs/dbraw/zinc/07/28/74/175072874.db2.gz VFTREIOIRZKJGB-SNVBAGLBSA-N 1 0 234.299 1.177 10 0 BDAERO COc1ccc(C)cc1C[C@H](O)C1CC[NH2+]CC1 ZINC000041303861 175076586 /nfs/dbraw/zinc/07/65/86/175076586.db2.gz ILHFZZCAJBWNBJ-AWEZNQCLSA-N 1 0 249.354 1.907 10 0 BDAERO COc1ccc(C)cc1NCC[NH+](C)C ZINC000020048886 175078421 /nfs/dbraw/zinc/07/84/21/175078421.db2.gz IDSXQRBILJQZBI-UHFFFAOYSA-N 1 0 208.305 1.977 10 0 BDAERO COc1ccc(C)cc1[C@H]([NH3+])CN1CCCC1=O ZINC000023070375 175081724 /nfs/dbraw/zinc/08/17/24/175081724.db2.gz PPXPOTVSODWHGK-GFCCVEGCSA-N 1 0 248.326 1.626 10 0 BDAERO COc1ccc(CC[NH2+][C@H](C)CO)c(Cl)c1 ZINC000098126748 175092505 /nfs/dbraw/zinc/09/25/05/175092505.db2.gz KDZBJXKZNVBWSN-SECBINFHSA-N 1 0 243.734 1.862 10 0 BDAERO COc1ccc(CC[C@@H]([NH3+])Cc2ncc[nH]2)cc1 ZINC000036946774 175092554 /nfs/dbraw/zinc/09/25/54/175092554.db2.gz UOTQCGMCBVJORV-GFCCVEGCSA-N 1 0 245.326 1.921 10 0 BDAERO COc1ccc(CC[C@H]([NH3+])Cc2ncc[nH]2)cc1 ZINC000036946773 175093823 /nfs/dbraw/zinc/09/38/23/175093823.db2.gz UOTQCGMCBVJORV-LBPRGKRZSA-N 1 0 245.326 1.921 10 0 BDAERO COc1ccc(C[NH3+])c(OCCOC(C)C)c1 ZINC000049259181 175096806 /nfs/dbraw/zinc/09/68/06/175096806.db2.gz XRBSPWALHBFFBW-UHFFFAOYSA-N 1 0 239.315 1.958 10 0 BDAERO COc1ccc(C[NH3+])cc1O[C@H]1CCOC1 ZINC000069606824 175097094 /nfs/dbraw/zinc/09/70/94/175097094.db2.gz LKOIQWHLORIJEI-JTQLQIEISA-N 1 0 223.272 1.322 10 0 BDAERO COc1ccc(CN2CC[NH2+]C[C@H](C)C2)cn1 ZINC000062076244 175101877 /nfs/dbraw/zinc/10/18/77/175101877.db2.gz LCNKWAJZARSHNP-NSHDSACASA-N 1 0 235.331 1.132 10 0 BDAERO COc1ccc(CSCC[NH3+])c(OC)c1 ZINC000057953239 175114583 /nfs/dbraw/zinc/11/45/83/175114583.db2.gz NEKLCYXMHMRGEJ-UHFFFAOYSA-N 1 0 227.329 1.896 10 0 BDAERO COc1ccc(COCCC[NH3+])cc1OC ZINC000055346043 175113324 /nfs/dbraw/zinc/11/33/24/175113324.db2.gz SVUKDOCIJYJECU-UHFFFAOYSA-N 1 0 225.288 1.569 10 0 BDAERO COc1ccc(COC[C@H](C)[NH3+])cc1OC ZINC000098124979 175114552 /nfs/dbraw/zinc/11/45/52/175114552.db2.gz QBVZAMADXSYVJT-VIFPVBQESA-N 1 0 225.288 1.568 10 0 BDAERO COc1ccc(Cl)cc1[C@](O)(C[NH3+])C1CC1 ZINC000049830807 175122674 /nfs/dbraw/zinc/12/26/74/175122674.db2.gz WHRYHXTYPOETHF-LBPRGKRZSA-N 1 0 241.718 1.905 10 0 BDAERO COc1ccc(F)cc1[C@H](O)[C@H]1CCC[NH2+]C1 ZINC000036164243 175134484 /nfs/dbraw/zinc/13/44/84/175134484.db2.gz XBPYLMJYMGDSMM-TVQRCGJNSA-N 1 0 239.290 1.867 10 0 BDAERO COc1ccc(NC(=O)C2CC[NH2+]CC2)cc1C ZINC000049531968 175140508 /nfs/dbraw/zinc/14/05/08/175140508.db2.gz ZBHHOMSVZSXVQM-UHFFFAOYSA-N 1 0 248.326 1.942 10 0 BDAERO COc1ccc(NCC[NH3+])cc1Cl ZINC000019732729 175150599 /nfs/dbraw/zinc/15/05/99/175150599.db2.gz ASLRIWAWRFJECI-UHFFFAOYSA-N 1 0 200.669 1.719 10 0 BDAERO COc1ccc(OC)c2c1CC[C@]1(C[NH+]=CN1)C2 ZINC000013743738 175170470 /nfs/dbraw/zinc/17/04/70/175170470.db2.gz FCBYVPZNSPJDJQ-CQSZACIVSA-N 1 0 246.310 1.563 10 0 BDAERO COc1ccc(SC[C@@H](O)CC[NH3+])cc1 ZINC000019687036 175175560 /nfs/dbraw/zinc/17/55/60/175175560.db2.gz BUMRYOQCLCGJIA-VIFPVBQESA-N 1 0 227.329 1.497 10 0 BDAERO COc1ccc([C@@H](C[NH3+])CC(=O)NC2CC2)cc1 ZINC000057537091 175178348 /nfs/dbraw/zinc/17/83/48/175178348.db2.gz UAABYDMASWYJQU-LLVKDONJSA-N 1 0 248.326 1.406 10 0 BDAERO COc1ccc([C@@H](O)C[NH2+]C(C)C)cc1F ZINC000049820789 175180805 /nfs/dbraw/zinc/18/08/05/175180805.db2.gz FMRRSZZBBHVVIU-NSHDSACASA-N 1 0 227.279 1.866 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@H](C)O2)cc1F ZINC000036673349 175184404 /nfs/dbraw/zinc/18/44/04/175184404.db2.gz IEEFFDPQSXXIDG-UFBFGSQYSA-N 1 0 225.263 1.884 10 0 BDAERO COc1ccc([C@@H]2C[NH2+][C@H](C)CO2)c(OC)c1 ZINC000033466013 175184671 /nfs/dbraw/zinc/18/46/71/175184671.db2.gz WILLWMGGWYBKHU-RNCFNFMXSA-N 1 0 237.299 1.753 10 0 BDAERO COc1ccc([C@H](O)C2CC[NH2+]CC2)c(F)c1 ZINC000036767278 175193201 /nfs/dbraw/zinc/19/32/01/175193201.db2.gz LFVWYZIPQUCDRQ-CYBMUJFWSA-N 1 0 239.290 1.867 10 0 BDAERO COc1ccc([C@H](O)C[NH3+])cc1OCC(C)C ZINC000033468638 175193463 /nfs/dbraw/zinc/19/34/63/175193463.db2.gz RJWTUMJNBAHMSZ-LLVKDONJSA-N 1 0 239.315 1.722 10 0 BDAERO COc1ccc([C@H]2C[NH2+]CCCO2)cc1 ZINC000035598808 175195407 /nfs/dbraw/zinc/19/54/07/175195407.db2.gz MUWWUNLPZIXDMN-GFCCVEGCSA-N 1 0 207.273 1.746 10 0 BDAERO COc1ccc([C@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000040845497 175195511 /nfs/dbraw/zinc/19/55/11/175195511.db2.gz SUAFTJAVJHXARK-VXGBXAGGSA-N 1 0 207.273 1.874 10 0 in-vivo BDAERO COc1ccc([C@]2(C)C[C@@H]2C[NH3+])cc1OC ZINC000054588008 175200142 /nfs/dbraw/zinc/20/01/42/175200142.db2.gz IJYQCBYFURPLMR-MFKMUULPSA-N 1 0 221.300 1.940 10 0 BDAERO COc1ccc2[nH]c(NC[C@@H](C)O)[nH+]c2c1 ZINC000026474118 175201704 /nfs/dbraw/zinc/20/17/04/175201704.db2.gz QSRGWBIYCYLDHW-SSDOTTSWSA-N 1 0 221.260 1.364 10 0 BDAERO COc1ccc2c(c1)CCC[C@@H]2N1CC[NH2+]CC1 ZINC000038086600 175207751 /nfs/dbraw/zinc/20/77/51/175207751.db2.gz LVKJITASZUWOSD-HNNXBMFYSA-N 1 0 246.354 1.978 10 0 BDAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)C(N)=O ZINC000035792974 175208112 /nfs/dbraw/zinc/20/81/12/175208112.db2.gz FQDFTRYWINZAAZ-TVQRCGJNSA-N 1 0 248.326 1.536 10 0 BDAERO COc1ccc2c(c1)[C@H](O)[C@@H]([NH3+])CCC2 ZINC000019795589 175217358 /nfs/dbraw/zinc/21/73/58/175217358.db2.gz AIFCWXUDLPHAAP-RYUDHWBXSA-N 1 0 207.273 1.392 10 0 BDAERO COc1ccc2c(c1OC)CC[C@@H]([NH3+])C2 ZINC000002016171 175222073 /nfs/dbraw/zinc/22/20/73/175222073.db2.gz BDHOUGWYKHSPIX-SECBINFHSA-N 1 0 207.273 1.520 10 0 BDAERO COc1cccc(-c2nc(CC[NH3+])c[nH]2)c1 ZINC000028756003 175236828 /nfs/dbraw/zinc/23/68/28/175236828.db2.gz DLAYSILEKULVSE-UHFFFAOYSA-N 1 0 217.272 1.587 10 0 BDAERO COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038048880 175245081 /nfs/dbraw/zinc/24/50/81/175245081.db2.gz GGQPCWOHSLXNBI-QWHCGFSZSA-N 1 0 248.326 1.695 10 0 BDAERO COc1cccc(CCN2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000071563487 175251291 /nfs/dbraw/zinc/25/12/91/175251291.db2.gz DYZLYOYBSXSNIQ-CHWSQXEVSA-N 1 0 248.370 1.920 10 0 BDAERO COc1cccc(C[C@]2(O)CCC[NH2+]C2)c1 ZINC000071522987 175272249 /nfs/dbraw/zinc/27/22/49/175272249.db2.gz FYOVYJVMLMOTDZ-CYBMUJFWSA-N 1 0 221.300 1.352 10 0 BDAERO COc1cccc(N(CCC[NH3+])C(=O)C2CC2)c1 ZINC000020233636 175275185 /nfs/dbraw/zinc/27/51/85/175275185.db2.gz IKNLBUKTDUSKSK-UHFFFAOYSA-N 1 0 248.326 1.787 10 0 BDAERO COc1cccc(OCCC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000041303411 175282983 /nfs/dbraw/zinc/28/29/83/175282983.db2.gz NHVMEHKLIAIXNO-ZDUSSCGKSA-N 1 0 249.310 1.785 10 0 BDAERO COc1cccc(OCCO[C@@H](C)C[NH3+])c1 ZINC000074527883 175283724 /nfs/dbraw/zinc/28/37/24/175283724.db2.gz NJFRIOIPOQMFET-JTQLQIEISA-N 1 0 225.288 1.438 10 0 BDAERO COc1cccc([C@@H]([NH3+])[C@@H](C)S(C)(=O)=O)c1 ZINC000075429469 175288547 /nfs/dbraw/zinc/28/85/47/175288547.db2.gz YFJYDLNIGUCVTJ-KCJUWKMLSA-N 1 0 243.328 1.128 10 0 BDAERO COc1cccc([C@@H]([NH3+])CO)c1Cl ZINC000072197920 175289251 /nfs/dbraw/zinc/28/92/51/175289251.db2.gz UFRLRHOFHJGFEB-ZETCQYMHSA-N 1 0 201.653 1.341 10 0 BDAERO COc1cccc([C@@H]([C@@H](C)[NH3+])n2ccnc2)c1 ZINC000043028758 175289653 /nfs/dbraw/zinc/28/96/53/175289653.db2.gz GKWRMOWNVPNADO-ZWNOBZJWSA-N 1 0 231.299 1.828 10 0 BDAERO COc1cccc([C@](O)([C@H](C)[NH3+])C(F)(F)F)c1 ZINC000062784487 175296701 /nfs/dbraw/zinc/29/67/01/175296701.db2.gz FYHDDOJBBLPKOM-OIBJUYFYSA-N 1 0 249.232 1.792 10 0 BDAERO COc1cccc([S@](=O)C[C@H]2CC[NH2+]C2)c1 ZINC000083294997 175297348 /nfs/dbraw/zinc/29/73/48/175297348.db2.gz YGHSGPUHTDKQKU-QFYYESIMSA-N 1 0 239.340 1.412 10 0 BDAERO COc1cccc2c1C[C@]1(CCC[NH2+]1)CO2 ZINC000013759903 175303425 /nfs/dbraw/zinc/30/34/25/175303425.db2.gz KUXGHNDAHPGZBD-CYBMUJFWSA-N 1 0 219.284 1.752 10 0 BDAERO COc1cccc2c1[S@](=O)CC[C@H]2[NH3+] ZINC000041031241 175306103 /nfs/dbraw/zinc/30/61/03/175306103.db2.gz SVRYTCJPAVZART-CLAHSXSESA-N 1 0 211.286 1.206 10 0 BDAERO COc1ccccc1-c1nnc(CCC[NH3+])o1 ZINC000011585931 175312274 /nfs/dbraw/zinc/31/22/74/175312274.db2.gz JVRNBASHDLFHJZ-UHFFFAOYSA-N 1 0 233.271 1.637 10 0 BDAERO COc1ccccc1-n1cc(CC[NH3+])cn1 ZINC000071520080 175312617 /nfs/dbraw/zinc/31/26/17/175312617.db2.gz SWRVGDJOYFGPMC-UHFFFAOYSA-N 1 0 217.272 1.382 10 0 BDAERO COc1ccccc1CN1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000019801262 175328799 /nfs/dbraw/zinc/32/87/99/175328799.db2.gz KQRQNNKQEAPMQY-RYUDHWBXSA-N 1 0 234.343 1.877 10 0 BDAERO COc1ccccc1C[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000062237052 175332413 /nfs/dbraw/zinc/33/24/13/175332413.db2.gz SMZBYAWNLGMSCF-CHWSQXEVSA-N 1 0 235.327 1.992 10 0 BDAERO COc1ccccc1C[C@H](O)[C@H]1CCC[NH2+]C1 ZINC000041266085 175333865 /nfs/dbraw/zinc/33/38/65/175333865.db2.gz RTCNRSXTKBKSSD-STQMWFEESA-N 1 0 235.327 1.598 10 0 BDAERO COc1ccccc1N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062903042 175334837 /nfs/dbraw/zinc/33/48/37/175334837.db2.gz PGQYTWULSNEWJG-CQSZACIVSA-N 1 0 248.326 1.658 10 0 BDAERO COc1ccccc1N(C)Cc1cc(C[NH3+])no1 ZINC000052513128 175335462 /nfs/dbraw/zinc/33/54/62/175335462.db2.gz ARBBFHCTQSCPNK-UHFFFAOYSA-N 1 0 247.298 1.778 10 0 BDAERO COc1ccccc1N1CCC[C@@H]1C[NH3+] ZINC000020439476 175335647 /nfs/dbraw/zinc/33/56/47/175335647.db2.gz AQOXGOVEMZWHIE-SNVBAGLBSA-N 1 0 206.289 1.623 10 0 BDAERO COc1ccccc1N[C@H]1CC[N@H+](C)C1 ZINC000061984493 175338740 /nfs/dbraw/zinc/33/87/40/175338740.db2.gz LADPFRNRQWAJPR-JTQLQIEISA-N 1 0 206.289 1.811 10 0 BDAERO COc1ccccc1OCC[NH2+]CCN(C)C ZINC000041280556 175341708 /nfs/dbraw/zinc/34/17/08/175341708.db2.gz ATGVHWKFROCMSP-UHFFFAOYSA-N 1 0 238.331 1.225 10 0 BDAERO COc1ccccc1Oc1c(C[NH3+])c(C)nn1C ZINC000020470305 175342858 /nfs/dbraw/zinc/34/28/58/175342858.db2.gz ZEWRKIFCDXLBIM-UHFFFAOYSA-N 1 0 247.298 1.988 10 0 BDAERO COc1ccccc1[C@@H]1C[NH2+]C[C@H](C)O1 ZINC000032011706 175348853 /nfs/dbraw/zinc/34/88/53/175348853.db2.gz FTKMBYFFWWIEHQ-CABZTGNLSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccccc1[C@H]([NH2+]C(C)C)C(N)=O ZINC000037869372 175353183 /nfs/dbraw/zinc/35/31/83/175353183.db2.gz TWNHDHZIERUMLY-NSHDSACASA-N 1 0 222.288 1.220 10 0 BDAERO COc1ccccc1[C@H](N)C[NH+]1CCCC1 ZINC000023067695 175353272 /nfs/dbraw/zinc/35/32/72/175353272.db2.gz XJQWGNQUZKBZKS-GFCCVEGCSA-N 1 0 220.316 1.791 10 0 BDAERO COc1ccccc1[C@H](O)[C@H]1CCC[NH2+]1 ZINC000032011725 175354312 /nfs/dbraw/zinc/35/43/12/175354312.db2.gz JIPVTLLSVWMZRP-PWSUYJOCSA-N 1 0 207.273 1.481 10 0 BDAERO COc1ccccc1[C@H]([C@@H](C)[NH3+])n1cncn1 ZINC000043098650 175354421 /nfs/dbraw/zinc/35/44/21/175354421.db2.gz CNTHLEGRAIADMK-SKDRFNHKSA-N 1 0 232.287 1.223 10 0 BDAERO COc1ccccc1[S@@](=O)C[C@@H]1CCC[NH2+]1 ZINC000083319616 175356077 /nfs/dbraw/zinc/35/60/77/175356077.db2.gz HXEBXKFYQSXKNX-MGPLVRAMSA-N 1 0 239.340 1.555 10 0 BDAERO COc1ccccc1[C@](C)([NH2+]CC1CC1)C(N)=O ZINC000037952146 175356158 /nfs/dbraw/zinc/35/61/58/175356158.db2.gz PQMSBSUCPBFOTA-AWEZNQCLSA-N 1 0 248.326 1.395 10 0 BDAERO COc1ccnc(C[NH2+]C(C)C)c1OC ZINC000058824385 175360352 /nfs/dbraw/zinc/36/03/52/175360352.db2.gz PFYZRZFGFYCQPS-UHFFFAOYSA-N 1 0 210.277 1.597 10 0 BDAERO COc1ccnc(OC2CCC([NH3+])CC2)n1 ZINC000055143389 175367952 /nfs/dbraw/zinc/36/79/52/175367952.db2.gz WRUNGXUOZBCXLD-UHFFFAOYSA-N 1 0 223.276 1.134 10 0 BDAERO COc1nc2ccccc2nc1O[C@H]1CC[NH2+]C1 ZINC000095071711 175397406 /nfs/dbraw/zinc/39/74/06/175397406.db2.gz XEDOUJKYXQSRLH-VIFPVBQESA-N 1 0 245.282 1.379 10 0 BDAERO CSCCC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749591 175466917 /nfs/dbraw/zinc/46/69/17/175466917.db2.gz YMCLDPNDZGXJOH-PBINXNQUSA-N 1 0 228.361 1.220 10 0 BDAERO CSc1nccnc1CO[C@H]1CC[NH2+]C1 ZINC000095071944 175590525 /nfs/dbraw/zinc/59/05/25/175590525.db2.gz YEFGOWTTXUZABK-QMMMGPOBSA-N 1 0 225.317 1.077 10 0 BDAERO C[C@@H](C(=O)NC1(C)CCCCC1)C1C[NH2+]C1 ZINC000129201133 175609356 /nfs/dbraw/zinc/60/93/56/175609356.db2.gz MBPFUVZQBCZWFB-SNVBAGLBSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H](C[NH3+])CCC(=O)N1CCc2ccccc21 ZINC000076615103 175706430 /nfs/dbraw/zinc/70/64/30/175706430.db2.gz SDIPQMMJOCARLU-LLVKDONJSA-N 1 0 232.327 1.951 10 0 BDAERO C[C@@H](C[NH3+])CCC(=O)NCc1ccccc1 ZINC000076610324 175706514 /nfs/dbraw/zinc/70/65/14/175706514.db2.gz DPNLLFWHGZQJKW-LLVKDONJSA-N 1 0 220.316 1.678 10 0 BDAERO C[C@@H](C[NH3+])CN(C)c1ncnc2ccccc21 ZINC000042455544 175707246 /nfs/dbraw/zinc/70/72/46/175707246.db2.gz DXAGYSVFBYPWAS-JTQLQIEISA-N 1 0 230.315 1.661 10 0 BDAERO C[C@@H](C[NH3+])N(C)c1cncc(Br)c1 ZINC000307006290 175709583 /nfs/dbraw/zinc/70/95/83/175709583.db2.gz FLHUTJNMMOSNBU-ZETCQYMHSA-N 1 0 244.136 1.628 10 0 BDAERO C[C@@H](C[NH3+])c1noc(Cc2ccccc2)n1 ZINC000054158585 175713777 /nfs/dbraw/zinc/71/37/77/175713777.db2.gz JYKDTULUEAHJTN-VIFPVBQESA-N 1 0 217.272 1.723 10 0 BDAERO C[C@@H](CO)[NH2+][C@@H]1CSCc2ccccc21 ZINC000037258903 175757659 /nfs/dbraw/zinc/75/76/59/175757659.db2.gz JKOMVUUGKCTJPK-JOYOIKCWSA-N 1 0 223.341 1.945 10 0 BDAERO C[C@@H]([NH3+])Cc1nncn1-c1ccccc1 ZINC000054526833 175807698 /nfs/dbraw/zinc/80/76/98/175807698.db2.gz FBPMXPVUQCEQCA-SECBINFHSA-N 1 0 202.261 1.157 10 0 BDAERO C[C@@H]([NH3+])c1cnn(C[C@@H]2CCCCO2)c1 ZINC000054716920 175819530 /nfs/dbraw/zinc/81/95/30/175819530.db2.gz ZAEZLBAMKOTXHL-KOLCDFICSA-N 1 0 209.293 1.472 10 0 BDAERO C[C@@H]([NH2+]C(CO)CO)c1cccc(Cl)c1 ZINC000083692486 175855102 /nfs/dbraw/zinc/85/51/02/175855102.db2.gz APOPQRSAGJPDNV-MRVPVSSYSA-N 1 0 229.707 1.344 10 0 BDAERO C[C@@H]([NH2+]C1(C)CCCC1)C(=O)N1CCCC1 ZINC000042187484 175857567 /nfs/dbraw/zinc/85/75/67/175857567.db2.gz VCOZLXODOSEOAC-LLVKDONJSA-N 1 0 224.348 1.920 10 0 BDAERO C[C@@H]([NH2+]C1CCCC1)C(=O)N1CCCCC1 ZINC000026515064 175860638 /nfs/dbraw/zinc/86/06/38/175860638.db2.gz LPOQKJQDABDDEU-LLVKDONJSA-N 1 0 224.348 1.920 10 0 BDAERO C[C@@H]([NH2+]C1CCS(=O)CC1)[C@@H]1CCCO1 ZINC000042336217 175861562 /nfs/dbraw/zinc/86/15/62/175861562.db2.gz VFZZNRMSSMDTBL-VQEBWTGLSA-N 1 0 231.361 1.055 10 0 BDAERO C[C@@H](O)c1ccccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000049547179 176000187 /nfs/dbraw/zinc/00/01/87/176000187.db2.gz UWUORWJPIJCUNZ-SKDRFNHKSA-N 1 0 234.299 1.430 10 0 BDAERO C[C@@H](OC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095068543 176003070 /nfs/dbraw/zinc/00/30/70/176003070.db2.gz NUWJNGIUBQSHMP-MNOVXSKESA-N 1 0 206.289 1.769 10 0 BDAERO C[C@@H](OC[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068547 176003117 /nfs/dbraw/zinc/00/31/17/176003117.db2.gz MKCYGXDPGBRTNR-ZJUUUORDSA-N 1 0 207.277 1.164 10 0 BDAERO C[C@@H](c1ccc(Br)cc1)[C@@H](O)C[NH3+] ZINC000041289871 176012728 /nfs/dbraw/zinc/01/27/28/176012728.db2.gz BADNKFDONMLZRT-XVKPBYJWSA-N 1 0 244.132 1.872 10 0 BDAERO C[C@@H](c1ccc(Cl)cc1)n1nnnc1C[NH3+] ZINC000054747649 176014369 /nfs/dbraw/zinc/01/43/69/176014369.db2.gz YXJWVJSIZTZPRJ-ZETCQYMHSA-N 1 0 237.694 1.395 10 0 BDAERO C[C@@H](c1ccc(C[NH3+])cc1)N1CCOC1=O ZINC000037748197 176014487 /nfs/dbraw/zinc/01/44/87/176014487.db2.gz DVIHLQHDJXVWHN-VIFPVBQESA-N 1 0 220.272 1.659 10 0 BDAERO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(N)cc1 ZINC000051817060 176015726 /nfs/dbraw/zinc/01/57/26/176015726.db2.gz YRURHIZSLCAVHI-ZJUUUORDSA-N 1 0 208.305 1.642 10 0 BDAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CC[C@H](O)C1 ZINC000061709763 176018235 /nfs/dbraw/zinc/01/82/35/176018235.db2.gz INOZQRLTPWQJLJ-CABZTGNLSA-N 1 0 206.289 1.396 10 0 BDAERO C[C@@H](c1ccccc1)S(=O)(=O)CC[NH3+] ZINC000058249769 176022228 /nfs/dbraw/zinc/02/22/28/176022228.db2.gz GQXRPNUGIORLEH-VIFPVBQESA-N 1 0 213.302 1.121 10 0 BDAERO C[C@@H](c1cccnc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000083552887 176030815 /nfs/dbraw/zinc/03/08/15/176030815.db2.gz GIPPGNRCMNLCHR-GXTWGEPZSA-N 1 0 231.343 1.923 10 0 BDAERO C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037823871 176033905 /nfs/dbraw/zinc/03/39/05/176033905.db2.gz DRHXPMOSUXZFMZ-JQWIXIFHSA-N 1 0 233.315 1.353 10 0 BDAERO C[C@H]1c2cc(Cl)cc(C[NH3+])c2NC1=O ZINC000062200911 176047531 /nfs/dbraw/zinc/04/75/31/176047531.db2.gz HFXOYTCYPQOBDR-YFKPBYRVSA-N 1 0 210.664 1.854 10 0 BDAERO C[C@@H]1CCCCN1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037478698 176068427 /nfs/dbraw/zinc/06/84/27/176068427.db2.gz CCBOTXRHAHNWIJ-SKDRFNHKSA-N 1 0 210.321 1.515 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCNC1=O ZINC000309397195 176077277 /nfs/dbraw/zinc/07/72/77/176077277.db2.gz GTWISOMYDHCCLW-IJLUTSLNSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336775918 176081526 /nfs/dbraw/zinc/08/15/26/176081526.db2.gz DCHINMNOUCBXHM-WYUUTHIRSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])C2CC2)C1 ZINC000037478731 176094101 /nfs/dbraw/zinc/09/41/01/176094101.db2.gz BCQSFQUNBFWNAB-SKDRFNHKSA-N 1 0 210.321 1.372 10 0 BDAERO C[C@@H]1CCC[N@H+](C[C@]2(CO)CCCOC2)CC1 ZINC000104321468 176099642 /nfs/dbraw/zinc/09/96/42/176099642.db2.gz JRQUTOCGFBCUKV-KGLIPLIRSA-N 1 0 241.375 1.898 10 0 BDAERO C[C@@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037912099 176104599 /nfs/dbraw/zinc/10/45/99/176104599.db2.gz BCAUFBJYRPZEOR-KPPDAEKUSA-N 1 0 210.321 1.515 10 0 BDAERO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)c1cccc(O)c1 ZINC000071338548 176112322 /nfs/dbraw/zinc/11/23/22/176112322.db2.gz MDVHSGRAGKOXPY-ZWNOBZJWSA-N 1 0 248.326 1.510 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1CN1C(=O)CCCCC1=O ZINC000071339266 176112972 /nfs/dbraw/zinc/11/29/72/176112972.db2.gz CATGKCZOQCUXHU-MNOVXSKESA-N 1 0 238.331 1.304 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCCO2)[NH2+]1 ZINC000042824941 176113009 /nfs/dbraw/zinc/11/30/09/176113009.db2.gz DWOVQHRHRQPBGH-WOPDTQHZSA-N 1 0 240.347 1.202 10 0 BDAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(N)=S ZINC000019489090 176115312 /nfs/dbraw/zinc/11/53/12/176115312.db2.gz GTAOCZQAPMNKRT-RKDXNWHRSA-N 1 0 200.351 1.926 10 0 BDAERO C[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000227137876 176122420 /nfs/dbraw/zinc/12/24/20/176122420.db2.gz BIEKYOVLUUHQMK-CKYFFXLPSA-N 1 0 224.348 1.537 10 0 BDAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CN2CCC1CC2 ZINC000070916625 176151207 /nfs/dbraw/zinc/15/12/07/176151207.db2.gz RHMCDWPRHIDOON-RAIGVLPGSA-N 1 0 208.349 1.859 10 0 BDAERO C[C@@H]1CCC[C@]([NH3+])(CCS(C)(=O)=O)C1 ZINC000053752264 176152235 /nfs/dbraw/zinc/15/22/35/176152235.db2.gz BJHPUCQWZNHVBK-ZJUUUORDSA-N 1 0 219.350 1.329 10 0 BDAERO C[C@@H]1CCN(C(=O)OC(C)(C)C)CCC[NH2+]1 ZINC000082350118 176159587 /nfs/dbraw/zinc/15/95/87/176159587.db2.gz QYMRNHNWAQKDPD-SNVBAGLBSA-N 1 0 228.336 1.995 10 0 BDAERO C[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000235310942 176159834 /nfs/dbraw/zinc/15/98/34/176159834.db2.gz QMIBOWIDGFSQSL-MXWKQRLJSA-N 1 0 224.348 1.618 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)N2CCCCC2)C[NH2+]1 ZINC000019486641 176195008 /nfs/dbraw/zinc/19/50/08/176195008.db2.gz GJWWHVAPMGWUDF-GHMZBOCLSA-N 1 0 210.321 1.387 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)O1 ZINC000124505663 176195551 /nfs/dbraw/zinc/19/55/51/176195551.db2.gz KCIRPJAVJFZLRU-MNOVXSKESA-N 1 0 242.363 1.258 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)NCC2CCCC2)C[NH2+]1 ZINC000037258997 176195825 /nfs/dbraw/zinc/19/58/25/176195825.db2.gz YVQBDZFZNLWUNE-ZYHUDNBSSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)NCC2CCCC2)C[NH2+]1 ZINC000037258994 176220382 /nfs/dbraw/zinc/22/03/82/176220382.db2.gz YVQBDZFZNLWUNE-PWSUYJOCSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H]1CC[C@H](CNC(=O)C2CCC2)C[NH2+]1 ZINC000062036637 176225535 /nfs/dbraw/zinc/22/55/35/176225535.db2.gz AXPVALYHTLPWCJ-ZJUUUORDSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1CN(C(=O)C(F)(F)F)C(C)(C)C[NH2+]1 ZINC000062611387 176242046 /nfs/dbraw/zinc/24/20/46/176242046.db2.gz NVQZHLBDVCIPNY-ZCFIWIBFSA-N 1 0 224.226 1.148 10 0 BDAERO C[C@@H]1CN(CC[NH2+]Cc2ccco2)C[C@@H](C)O1 ZINC000048326766 176290872 /nfs/dbraw/zinc/29/08/72/176290872.db2.gz GLINYIXHPOXCGE-VXGBXAGGSA-N 1 0 238.331 1.478 10 0 BDAERO C[C@@H]1CN(CCc2ccccc2)CCC[NH2+]1 ZINC000062609107 176293887 /nfs/dbraw/zinc/29/38/87/176293887.db2.gz SNKKUTIVSPRLGG-CYBMUJFWSA-N 1 0 218.344 1.913 10 0 BDAERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1COC1 ZINC000287832488 176305295 /nfs/dbraw/zinc/30/52/95/176305295.db2.gz VTJNDRVXOPLTID-IUODEOHRSA-N 1 0 246.354 1.495 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2)CCO1 ZINC000019265377 176314748 /nfs/dbraw/zinc/31/47/48/176314748.db2.gz MEMVBWNRRHLNDI-YPMHNXCESA-N 1 0 220.316 1.407 10 0 BDAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccco2)C[C@@H](C)O1 ZINC000022164268 176315209 /nfs/dbraw/zinc/31/52/09/176315209.db2.gz TUMVVYQWXPHHBI-MXWKQRLJSA-N 1 0 224.304 1.389 10 0 BDAERO C[C@@H]1CN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000023066992 176317052 /nfs/dbraw/zinc/31/70/52/176317052.db2.gz BNYDOEPHZKXNRG-FKGLVLAHSA-N 1 0 246.354 1.720 10 0 BDAERO C[C@@H]([NH3+])c1cnc(N2CCCO[C@H](C)C2)s1 ZINC000061936805 176320682 /nfs/dbraw/zinc/32/06/82/176320682.db2.gz DQIAMXYXYZOTHG-RKDXNWHRSA-N 1 0 241.360 1.778 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccn1 ZINC000246977922 176322447 /nfs/dbraw/zinc/32/24/47/176322447.db2.gz DUSOUSNTWHCRMJ-NEPJUHHUSA-N 1 0 245.326 1.390 10 0 BDAERO C[C@@H]1C[NH+]=C(NCc2nccs2)S1 ZINC000049534288 176324017 /nfs/dbraw/zinc/32/40/17/176324017.db2.gz PAXSXTHZCWZHAZ-ZCFIWIBFSA-N 1 0 213.331 1.724 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccno1 ZINC000264970767 176324257 /nfs/dbraw/zinc/32/42/57/176324257.db2.gz PEUFUBFVICHUAL-MNOVXSKESA-N 1 0 221.304 1.343 10 0 BDAERO C[C@@H]1C[NH+]=C([C@H]2COc3ccccc3O2)N1 ZINC000027897741 176324340 /nfs/dbraw/zinc/32/43/40/176324340.db2.gz BOTJXBSRHZLSGU-LDYMZIIASA-N 1 0 218.256 1.217 10 0 BDAERO C[C@@H]1C[NH2+]CCN(c2ccc(F)cc2)C1 ZINC000049661378 176325858 /nfs/dbraw/zinc/32/58/58/176325858.db2.gz BNHYJWOICZCIDS-SNVBAGLBSA-N 1 0 208.280 1.871 10 0 BDAERO C[C@@H]1C[NH2+]CCN1C1Cc2ccccc2C1 ZINC000083348756 176327088 /nfs/dbraw/zinc/32/70/88/176327088.db2.gz UZGHKQHSFJMVEG-LLVKDONJSA-N 1 0 216.328 1.448 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]2CN(Cc3ccccc3)CCN12 ZINC000096984031 176330285 /nfs/dbraw/zinc/33/02/85/176330285.db2.gz SEYGKUIPYQGYRN-HIFRSBDPSA-N 1 0 245.370 1.165 10 0 BDAERO C[C@@H]1COCCN1C(=O)CCC1CC[NH2+]CC1 ZINC000050942264 176333834 /nfs/dbraw/zinc/33/38/34/176333834.db2.gz ROCJXGZCZHVYNR-LLVKDONJSA-N 1 0 240.347 1.014 10 0 BDAERO C[C@@H]1COCCN1[C@@H](C[NH3+])C1CCCCC1 ZINC000035774496 176337510 /nfs/dbraw/zinc/33/75/10/176337510.db2.gz ZDTIXICUFNELQA-YPMHNXCESA-N 1 0 226.364 1.615 10 0 BDAERO C[C@@H]1COCCN1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000035775058 176337793 /nfs/dbraw/zinc/33/77/93/176337793.db2.gz WUUHVLNPNIFEPM-MFKMUULPSA-N 1 0 238.306 1.546 10 0 BDAERO C[C@@H]1CSC(NC[C@H]2CCCOC2)=[NH+]1 ZINC000044982352 176349002 /nfs/dbraw/zinc/34/90/02/176349002.db2.gz BOBMEVZDWQHBSE-RKDXNWHRSA-N 1 0 214.334 1.494 10 0 BDAERO C[C@@H]1C[C@@H](C)C[NH+](C2(CN)CCOCC2)C1 ZINC000036304815 176360559 /nfs/dbraw/zinc/36/05/59/176360559.db2.gz VBFKVDGCGRHUMT-VXGBXAGGSA-N 1 0 226.364 1.472 10 0 BDAERO 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218.300 1.764 10 0 BDAERO C[C@H]1C[C@H]1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000069726463 177376394 /nfs/dbraw/zinc/37/63/94/177376394.db2.gz XYOHEPPCIUBUHN-YTWAJWBKSA-N 1 0 210.321 1.228 10 0 BDAERO C[C@H]1C[C@H]1CN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000104425224 177378394 /nfs/dbraw/zinc/37/83/94/177378394.db2.gz JWJOLTOZYWMXBX-UBHSHLNASA-N 1 0 246.354 1.843 10 0 BDAERO C[C@H]1C[C@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000052296059 177383984 /nfs/dbraw/zinc/38/39/84/177383984.db2.gz NHSIEBOJBOFMSE-GZMMTYOYSA-N 1 0 219.288 1.675 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000052288154 177385846 /nfs/dbraw/zinc/38/58/46/177385846.db2.gz QOQSFBBFUFSQHX-GXSJLCMTSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000282525816 177393687 /nfs/dbraw/zinc/39/36/87/177393687.db2.gz YPOGZHMZFUGKEV-OCCSQVGLSA-N 1 0 246.354 1.876 10 0 BDAERO C[C@]1(c2ccc(F)cc2)C[C@]1(C[NH3+])CO ZINC000070500952 177477076 /nfs/dbraw/zinc/47/70/76/177477076.db2.gz 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/nfs/dbraw/zinc/72/49/53/487724953.db2.gz XZPAKYSQEYMLMB-CHWSQXEVSA-N 1 0 229.364 1.896 10 0 BDAERO CC[N@@H+]1CC[C@H](N[C@@H](C)c2ncc[nH]2)C1 ZINC000336904281 487728297 /nfs/dbraw/zinc/72/82/97/487728297.db2.gz VTVSONSESVEWLD-UWVGGRQHSA-N 1 0 208.309 1.155 10 0 BDAERO C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250596930 487736320 /nfs/dbraw/zinc/73/63/20/487736320.db2.gz IYDGLKVILOFUQK-ZSBIGDGJSA-N 1 0 222.332 1.197 10 0 BDAERO C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250739420 487739080 /nfs/dbraw/zinc/73/90/80/487739080.db2.gz MITWGIHEMSLTBY-JGPRNRPPSA-N 1 0 222.332 1.243 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250677056 487739480 /nfs/dbraw/zinc/73/94/80/487739480.db2.gz WVAOCCCTFYGOIY-SVNGYHJRSA-N 1 0 222.332 1.276 10 0 BDAERO CCc1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])nc(C)n1 ZINC000088760660 487749844 /nfs/dbraw/zinc/74/98/44/487749844.db2.gz IUGBDBBHGYPWPW-MFKMUULPSA-N 1 0 248.374 1.911 10 0 BDAERO COc1ccc(N[C@H]2CCC[NH2+]CC2)nc1 ZINC000226471883 487752836 /nfs/dbraw/zinc/75/28/36/487752836.db2.gz VLNBKLHBRLWHPH-JTQLQIEISA-N 1 0 221.304 1.644 10 0 BDAERO C[C@H]1CN(C(=O)CC2([NH3+])CCC2)CCS1 ZINC000155699834 487760344 /nfs/dbraw/zinc/76/03/44/487760344.db2.gz IESSXBVTUGSAPB-VIFPVBQESA-N 1 0 228.361 1.222 10 0 BDAERO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000251503796 487761351 /nfs/dbraw/zinc/76/13/51/487761351.db2.gz HUGSKPMQMHHJQB-SYEHKZFSSA-N 1 0 236.359 1.618 10 0 BDAERO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252768140 487779034 /nfs/dbraw/zinc/77/90/34/487779034.db2.gz ROOYYFHCKNPOHE-MFDAYCCISA-N 1 0 210.321 1.275 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1[NH3+] ZINC000251770007 487796744 /nfs/dbraw/zinc/79/67/44/487796744.db2.gz MJNVPTVXDYRQSW-UJPOAAIJSA-N 1 0 236.359 1.618 10 0 BDAERO CC(=O)c1ccnc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000251857998 487803258 /nfs/dbraw/zinc/80/32/58/487803258.db2.gz SECOXHKTKKPLLY-GXFFZTMASA-N 1 0 247.342 1.671 10 0 BDAERO CC[C@H]1CN(c2cc(C)ccn2)CC[C@H]1[NH3+] ZINC000251913306 487806759 /nfs/dbraw/zinc/80/67/59/487806759.db2.gz XVWWOVJPHFZZJC-NWDGAFQWSA-N 1 0 219.332 1.954 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccccn1 ZINC000089449690 487816296 /nfs/dbraw/zinc/81/62/96/487816296.db2.gz GJICNHBQCLTMTQ-CMPLNLGQSA-N 1 0 233.315 1.073 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccccn1 ZINC000089449693 487816263 /nfs/dbraw/zinc/81/62/63/487816263.db2.gz GJICNHBQCLTMTQ-JQWIXIFHSA-N 1 0 233.315 1.073 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000089450019 487816906 /nfs/dbraw/zinc/81/69/06/487816906.db2.gz SQGBTCJSIXWEON-MNOVXSKESA-N 1 0 233.315 1.704 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089449734 487816948 /nfs/dbraw/zinc/81/69/48/487816948.db2.gz VBEUDSBTTXUHHZ-KGLIPLIRSA-N 1 0 246.354 1.986 10 0 BDAERO CN(Cc1ccccn1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450828 487817880 /nfs/dbraw/zinc/81/78/80/487817880.db2.gz MBDHLJMHHKYCCO-AAEUAGOBSA-N 1 0 247.342 1.415 10 0 BDAERO CN(Cc1cccnc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450807 487817706 /nfs/dbraw/zinc/81/77/06/487817706.db2.gz LECDUWXSJIFFIT-OLZOCXBDSA-N 1 0 247.342 1.415 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)cn1 ZINC000089482435 487825853 /nfs/dbraw/zinc/82/58/53/487825853.db2.gz UJNMWYUCXCAKDL-SCZZXKLOSA-N 1 0 237.278 1.534 10 0 BDAERO O=C1NCC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000676234547 487825666 /nfs/dbraw/zinc/82/56/66/487825666.db2.gz COGXVEOUDADKPX-QWHCGFSZSA-N 1 0 230.311 1.022 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)c1ccc(N(C)C)cc1 ZINC000234434825 487827074 /nfs/dbraw/zinc/82/70/74/487827074.db2.gz LZPFHYQOCBMPFC-SNVBAGLBSA-N 1 0 235.331 1.090 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000252688633 487828734 /nfs/dbraw/zinc/82/87/34/487828734.db2.gz OVLDNOVCJFKKRD-USWWRNFRSA-N 1 0 224.348 1.524 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000252693992 487829677 /nfs/dbraw/zinc/82/96/77/487829677.db2.gz VTUIEWVUYOMHOE-YNEHKIRRSA-N 1 0 224.348 1.070 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)C1CC1 ZINC000252715455 487831060 /nfs/dbraw/zinc/83/10/60/487831060.db2.gz VQEBZIXZMSEDEG-ATZCPNFKSA-N 1 0 212.337 1.522 10 0 BDAERO CCN(CC(F)F)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000386199362 487837259 /nfs/dbraw/zinc/83/72/59/487837259.db2.gz JVNDWCYBVFCOEG-VIFPVBQESA-N 1 0 234.290 1.490 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000252908113 487837672 /nfs/dbraw/zinc/83/76/72/487837672.db2.gz XRBGEXYBDUMPPG-AXFHLTTASA-N 1 0 226.364 1.925 10 0 BDAERO Cc1cc(C(C)C)nc(N2CC[C@H]([NH3+])C2)n1 ZINC000212409987 487839657 /nfs/dbraw/zinc/83/96/57/487839657.db2.gz SVSNRLHXJHHRQY-JTQLQIEISA-N 1 0 220.320 1.446 10 0 BDAERO COCC1([N@H+](C)C[C@@H](O)C(C)(C)C)CC1 ZINC000676391238 487844690 /nfs/dbraw/zinc/84/46/90/487844690.db2.gz WXYGNQYLLLTPDY-SNVBAGLBSA-N 1 0 215.337 1.504 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N(CC)[C@H]1CCCOC1 ZINC000402712926 487846733 /nfs/dbraw/zinc/84/67/33/487846733.db2.gz SNCHYDNRPYLTCM-QWRGUYRKSA-N 1 0 228.336 1.141 10 0 BDAERO CC1(C)CC(NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000395292865 487850371 /nfs/dbraw/zinc/85/03/71/487850371.db2.gz LMCYSJIPRUYXRS-SNVBAGLBSA-N 1 0 224.348 1.823 10 0 BDAERO CC1(C)CC(NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000395292453 487850385 /nfs/dbraw/zinc/85/03/85/487850385.db2.gz LBSYSFSXMSYFGU-VIFPVBQESA-N 1 0 210.321 1.291 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC(C)(C)C1 ZINC000395304903 487851242 /nfs/dbraw/zinc/85/12/42/487851242.db2.gz UCPGZDLFXPZFRM-WCBMZHEXSA-N 1 0 212.337 1.665 10 0 BDAERO O=C(NCC1=CC[NH2+]CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253184235 487857680 /nfs/dbraw/zinc/85/76/80/487857680.db2.gz JRWRTBYNIZMZPU-ZSBIGDGJSA-N 1 0 220.316 1.068 10 0 BDAERO CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CCO1 ZINC000084230395 487868250 /nfs/dbraw/zinc/86/82/50/487868250.db2.gz XCQCHFUSXQXCCJ-TUAOUCFPSA-N 1 0 227.348 1.695 10 0 BDAERO OC1CC(C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000084446569 322960708 /nfs/dbraw/zinc/96/07/08/322960708.db2.gz UTVXNPSWEUVAHO-UHFFFAOYSA-N 1 0 227.254 1.825 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)NC2(C3CC3)CC2)C1 ZINC000564651201 322961411 /nfs/dbraw/zinc/96/14/11/322961411.db2.gz YUXMMNXJHATNCY-GXSJLCMTSA-N 1 0 222.332 1.563 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)C(C)C ZINC000128890004 487875110 /nfs/dbraw/zinc/87/51/10/487875110.db2.gz ABMQBXISQYKMPN-UWVGGRQHSA-N 1 0 200.326 1.521 10 0 BDAERO [NH3+]CC1(CCNC(=O)CC(F)(F)F)CC1 ZINC000395872304 487880604 /nfs/dbraw/zinc/88/06/04/487880604.db2.gz JUZZZCJQQYSACU-UHFFFAOYSA-N 1 0 224.226 1.184 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000682029751 487883986 /nfs/dbraw/zinc/88/39/86/487883986.db2.gz VEIVWBCBWZRFAF-PSASIEDQSA-N 1 0 207.264 1.734 10 0 BDAERO C(NC[C@@H]1CC[NH2+]C1)c1nc2c(s1)CCC2 ZINC000666845548 487889444 /nfs/dbraw/zinc/88/94/44/487889444.db2.gz IQIUAZREVJFOCD-SECBINFHSA-N 1 0 237.372 1.331 10 0 BDAERO C[NH2+][C@@H](C)CNc1ncnc2c1CCCC2 ZINC000304343076 487890491 /nfs/dbraw/zinc/89/04/91/487890491.db2.gz VZELOBDQXFXMML-VIFPVBQESA-N 1 0 220.320 1.375 10 0 BDAERO Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000164846159 487902573 /nfs/dbraw/zinc/90/25/73/487902573.db2.gz DTJPCMDIEFVWGU-PWSUYJOCSA-N 1 0 233.315 1.704 10 0 BDAERO CCC[C@H](C)NC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000668540689 487909261 /nfs/dbraw/zinc/90/92/61/487909261.db2.gz BPMLGLZRKJMEAU-DCAQKATOSA-N 1 0 227.352 1.615 10 0 BDAERO CCC[C@@H](C)NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000668540967 487910277 /nfs/dbraw/zinc/91/02/77/487910277.db2.gz HJIQOJLDUQKFTQ-ZJUUUORDSA-N 1 0 213.325 1.178 10 0 BDAERO CCC[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000668542005 487914844 /nfs/dbraw/zinc/91/48/44/487914844.db2.gz ZPHNYZPZYIXIIA-NXEZZACHSA-N 1 0 213.325 1.308 10 0 BDAERO Cc1nnc(N2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000083584869 487922751 /nfs/dbraw/zinc/92/27/51/487922751.db2.gz GDTJKNZIKMNWKY-CBAPKCEASA-N 1 0 226.349 1.410 10 0 BDAERO CC(C)n1cncc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000090208476 487923266 /nfs/dbraw/zinc/92/32/66/487923266.db2.gz GQEBJTCNYBQJHK-WCQYABFASA-N 1 0 237.347 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CCCn1nccc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000164856459 487903374 /nfs/dbraw/zinc/90/33/74/487903374.db2.gz BTDGCUGEZVNBQT-ZYHUDNBSSA-N 1 0 223.320 1.560 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667842746 488137239 /nfs/dbraw/zinc/13/72/39/488137239.db2.gz PKCIMHKLFOLNQW-QWHCGFSZSA-N 1 0 235.331 1.349 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CCC2(C1)CCOCC2 ZINC000303442117 488141217 /nfs/dbraw/zinc/14/12/17/488141217.db2.gz CZQFWEWUHLWLAH-VXGBXAGGSA-N 1 0 225.332 1.402 10 0 BDAERO C[N@H+](C[C@@H]1CCOC1)C[C@H]1CCC[C@@H](O)C1 ZINC000390245756 488143193 /nfs/dbraw/zinc/14/31/93/488143193.db2.gz JBOAHFOSSVKETQ-RWMBFGLXSA-N 1 0 227.348 1.506 10 0 BDAERO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000310247072 488148514 /nfs/dbraw/zinc/14/85/14/488148514.db2.gz VDLVBZZBSXIFNC-JOLBHGKHSA-N 1 0 236.359 1.535 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000390769812 488179026 /nfs/dbraw/zinc/17/90/26/488179026.db2.gz VBSRDNYOILURFG-DVVUODLYSA-N 1 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MSLOJSBPWTYNJR-CMPLNLGQSA-N 1 0 208.305 1.418 10 0 BDAERO COc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)ccn1 ZINC000302652169 490204347 /nfs/dbraw/zinc/20/43/47/490204347.db2.gz HRGNMLXVBZFTHI-SNVBAGLBSA-N 1 0 237.303 1.402 10 0 BDAERO O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1C[NH2+]C1 ZINC000091407749 490237490 /nfs/dbraw/zinc/23/74/90/490237490.db2.gz IYZFGSPNJDGWFL-UHFFFAOYSA-N 1 0 242.282 1.235 10 0 BDAERO CC(C)(CN1CCO[C@@H](CO)C1)c1ccccc1 ZINC000678828984 490249128 /nfs/dbraw/zinc/24/91/28/490249128.db2.gz ODURAIAWRLBYQM-CQSZACIVSA-N 1 0 249.354 1.657 10 0 BDAERO Cc1nn(C)cc1C[NH2+]CC[C@@H]1CCCO1 ZINC000125957216 490476054 /nfs/dbraw/zinc/47/60/54/490476054.db2.gz IUKNYHFZZASXTJ-LBPRGKRZSA-N 1 0 223.320 1.387 10 0 BDAERO C[C@@H]1C[NH+](CC2=CCCOC2)C[C@@H](C)O1 ZINC000126878814 490524224 /nfs/dbraw/zinc/52/42/24/490524224.db2.gz FCMIZRMLZUNMQA-GHMZBOCLSA-N 1 0 211.305 1.442 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](Cc3cncnc3)C2)cn1 ZINC000128354005 490576941 /nfs/dbraw/zinc/57/69/41/490576941.db2.gz FCIPKWAHRWEOFK-GFCCVEGCSA-N 1 0 243.314 1.200 10 0 BDAERO Cc1c(C[NH2+]CC[C@@H]2CCCO2)cnn1C ZINC000086551988 491063097 /nfs/dbraw/zinc/06/30/97/491063097.db2.gz DDGPKEFJNSKZTL-LBPRGKRZSA-N 1 0 223.320 1.387 10 0 BDAERO Cn1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000085590774 491048992 /nfs/dbraw/zinc/04/89/92/491048992.db2.gz OLEDNANYVGNVSL-NEPJUHHUSA-N 1 0 208.305 1.418 10 0 BDAERO O=C1NCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000308871598 491049225 /nfs/dbraw/zinc/04/92/25/491049225.db2.gz KATCQJIVNMOEMN-LLVKDONJSA-N 1 0 210.321 1.435 10 0 BDAERO C[NH2+][C@H]1CCCC[C@@H]1N(C)c1ccc(N)nc1 ZINC000584623828 491070147 /nfs/dbraw/zinc/07/01/47/491070147.db2.gz SGCXMMBZKWLTSQ-RYUDHWBXSA-N 1 0 234.347 1.631 10 0 BDAERO C[C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)O1 ZINC000659362997 491104541 /nfs/dbraw/zinc/10/45/41/491104541.db2.gz YWWBJHYTOBLVRR-WOPDTQHZSA-N 1 0 240.347 1.060 10 0 BDAERO [NH3+][C@@H]1c2cccc(Br)c2C[C@H]1O ZINC000039941443 491110646 /nfs/dbraw/zinc/11/06/46/491110646.db2.gz RCLPAAUFGDPXOZ-RKDXNWHRSA-N 1 0 228.089 1.366 10 0 BDAERO C[C@@H]([NH2+]CCC(N)=O)c1cc(F)ccc1F ZINC000035247158 491120711 /nfs/dbraw/zinc/12/07/11/491120711.db2.gz ZQHDVYBDASDMMS-SSDOTTSWSA-N 1 0 228.242 1.491 10 0 BDAERO COc1cc(CC[NH3+])c(SC)cc1OC ZINC000071372431 491121705 /nfs/dbraw/zinc/12/17/05/491121705.db2.gz CBUXOWVOGMKBMB-UHFFFAOYSA-N 1 0 227.329 1.927 10 0 BDAERO COc1cc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)ccn1 ZINC000395236200 491125733 /nfs/dbraw/zinc/12/57/33/491125733.db2.gz JLXYIBQFQTXRPY-GXSJLCMTSA-N 1 0 249.314 1.417 10 0 BDAERO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000308972943 491141627 /nfs/dbraw/zinc/14/16/27/491141627.db2.gz AKFCORZTHGOVLD-TUAOUCFPSA-N 1 0 215.337 1.695 10 0 BDAERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000300682746 491142880 /nfs/dbraw/zinc/14/28/80/491142880.db2.gz WNXGTHOIJLDMSK-ZSBIGDGJSA-N 1 0 236.359 1.633 10 0 BDAERO CC[NH2+]Cc1cccc(N2CCOC(C)(C)C2)n1 ZINC000051447041 535479798 /nfs/dbraw/zinc/47/97/98/535479798.db2.gz ZDVHLZPVOCUWOE-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO COc1ccc([C@@H]2CC[NH+]=C(N)N2)cc1F ZINC000235027600 582504779 /nfs/dbraw/zinc/50/47/79/582504779.db2.gz SYRYTANDIYMJKW-VIFPVBQESA-N 1 0 223.251 1.183 10 0 BDAERO Cc1nc([C@@H](O)C2CCC2)sc1CC[NH3+] ZINC000757130290 582505170 /nfs/dbraw/zinc/50/51/70/582505170.db2.gz PCNVOBYLNHALDA-JTQLQIEISA-N 1 0 226.345 1.786 10 0 BDAERO C[NH2+]Cc1sc([C@@H](O)C2CC2)nc1C ZINC000757130276 582505373 /nfs/dbraw/zinc/50/53/73/582505373.db2.gz OYDQVUYAPVZTQL-VIFPVBQESA-N 1 0 212.318 1.614 10 0 BDAERO C[C@@H]1C[C@H]1[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757133383 582509714 /nfs/dbraw/zinc/50/97/14/582509714.db2.gz VTYRMXIOUXBBRG-VDAHYXPESA-N 1 0 212.318 1.334 10 0 BDAERO CCc1ccc(CN2CC[C@H]2C[NH3+])nc1 ZINC000757142890 582523153 /nfs/dbraw/zinc/52/31/53/582523153.db2.gz FYACOTZYVYHJEE-LBPRGKRZSA-N 1 0 205.305 1.177 10 0 BDAERO CCC1(CC)C[NH2+][C@]2(CCCOC2)OC1 ZINC000757147729 582531339 /nfs/dbraw/zinc/53/13/39/582531339.db2.gz MCUGGCDDNYJTLW-GFCCVEGCSA-N 1 0 213.321 1.919 10 0 BDAERO [NH3+]C[C@@H]1CCN1Cc1ccc(Cl)cn1 ZINC000757148394 582532972 /nfs/dbraw/zinc/53/29/72/582532972.db2.gz SFOAJMVUBCGRNC-JTQLQIEISA-N 1 0 211.696 1.268 10 0 BDAERO C1CCC2(CC1)CN[C@@]1(CCC[NH2+]C1)OC2 ZINC000757150381 582534953 /nfs/dbraw/zinc/53/49/53/582534953.db2.gz QTPBHFSNZJAHHW-ZDUSSCGKSA-N 1 0 224.348 1.636 10 0 BDAERO CC(C)[C@@H]1C[NH2+][C@@]2(CCCOCC2)OC1 ZINC000757152428 582536899 /nfs/dbraw/zinc/53/68/99/582536899.db2.gz SHRLVCOABKMLKC-NEPJUHHUSA-N 1 0 213.321 1.775 10 0 BDAERO CC(C)[C@@H]1O[C@]2(CCN(C)C2)[NH2+]CC1(C)C ZINC000757153805 582539061 /nfs/dbraw/zinc/53/90/61/582539061.db2.gz XQAGABIKOFPJMF-AAEUAGOBSA-N 1 0 226.364 1.689 10 0 BDAERO Cc1ccoc1CS[C@@H](C)[C@H](O)C[NH3+] ZINC000757164800 582546329 /nfs/dbraw/zinc/54/63/29/582546329.db2.gz ISVWIJVUEATUAL-DTWKUNHWSA-N 1 0 215.318 1.529 10 0 BDAERO [NH3+]CC[C@H](O)CSCc1ccc(Cl)o1 ZINC000757171964 582551892 /nfs/dbraw/zinc/55/18/92/582551892.db2.gz WKVJZHJGNIPZJI-ZETCQYMHSA-N 1 0 235.736 1.876 10 0 BDAERO COC(=O)[C@H](CO)C1CC[NH+](CC(C)C)CC1 ZINC000757192028 582556529 /nfs/dbraw/zinc/55/65/29/582556529.db2.gz MSNKWELWPVAZCY-GFCCVEGCSA-N 1 0 243.347 1.136 10 0 BDAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@H]1CCOC1 ZINC000306555987 582652869 /nfs/dbraw/zinc/65/28/69/582652869.db2.gz FQTHGNKANUMURE-GZMMTYOYSA-N 1 0 209.314 1.971 10 0 BDAERO C(NC1=[NH+]CCS1)[C@H]1CCCOC1 ZINC000044982316 517307847 /nfs/dbraw/zinc/30/78/47/517307847.db2.gz KQMARSSGQCIVBW-MRVPVSSYSA-N 1 0 200.307 1.105 10 0 BDAERO CC/C=C(/C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000044528480 517499715 /nfs/dbraw/zinc/49/97/15/517499715.db2.gz YDNOZGSCEICPJT-GULOHRGCSA-N 1 0 210.321 1.540 10 0 BDAERO CS(=O)(=O)C1(c2cccc(C[NH3+])c2)CC1 ZINC000258969815 582758713 /nfs/dbraw/zinc/75/87/13/582758713.db2.gz UPDLIZJTMBCXTJ-UHFFFAOYSA-N 1 0 225.313 1.179 10 0 BDAERO CO[C@H](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000309460597 518118780 /nfs/dbraw/zinc/11/87/80/518118780.db2.gz NTPBSNYRINXOJY-KXNHARMFSA-N 1 0 227.348 1.815 10 0 BDAERO C[C@@]1([NH2+]C[C@H]2CC=CCC2)CCS(=O)(=O)C1 ZINC000036943979 518181314 /nfs/dbraw/zinc/18/13/14/518181314.db2.gz OTBXQFOQBUMXCR-NWDGAFQWSA-N 1 0 243.372 1.510 10 0 BDAERO Cc1ccc(OCCOCCO)c([C@H](C)[NH3+])c1 ZINC000040228708 518189319 /nfs/dbraw/zinc/18/93/19/518189319.db2.gz MJZSROXFBMRVQK-NSHDSACASA-N 1 0 239.315 1.402 10 0 BDAERO O=C1CCCC(=O)N1CC[C@@H]1CCCC[NH2+]1 ZINC000020423209 518202464 /nfs/dbraw/zinc/20/24/64/518202464.db2.gz AXRSGTIQVPNDNW-JTQLQIEISA-N 1 0 224.304 1.058 10 0 BDAERO CC(C)(C)NC(=O)[C@@H]([NH3+])Cc1ccco1 ZINC000002526451 518745070 /nfs/dbraw/zinc/74/50/70/518745070.db2.gz AYTKTANCSHIZCK-VIFPVBQESA-N 1 0 210.277 1.064 10 0 BDAERO CC[NH+](CC)CCNCc1nccs1 ZINC000022862633 520686603 /nfs/dbraw/zinc/68/66/03/520686603.db2.gz GPLUNGMCSOLMOH-UHFFFAOYSA-N 1 0 213.350 1.575 10 0 BDAERO C[C@H](C[NH3+])NC(=O)c1c[nH]c2ccccc12 ZINC000082577990 524309503 /nfs/dbraw/zinc/30/95/03/524309503.db2.gz YDTBGRMLYOCFOO-MRVPVSSYSA-N 1 0 217.272 1.245 10 0 BDAERO Cc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)n1C ZINC000229003100 525884914 /nfs/dbraw/zinc/88/49/14/525884914.db2.gz JODZHBVKZUKWBX-VIFPVBQESA-N 1 0 232.287 1.808 10 0 BDAERO C[NH2+]Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000051399750 536468918 /nfs/dbraw/zinc/46/89/18/536468918.db2.gz OYCJCMBUCAQSNP-PHIMTYICSA-N 1 0 235.331 1.415 10 0 BDAERO CNC(=O)CCC[NH2+]CC1CCC(C)CC1 ZINC000082672542 536490146 /nfs/dbraw/zinc/49/01/46/536490146.db2.gz WGOMAYRYFXKHKB-UHFFFAOYSA-N 1 0 226.364 1.929 10 0 BDAERO O=C(N[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000334161962 527020508 /nfs/dbraw/zinc/02/05/08/527020508.db2.gz IBTHRQOTOVWKHT-LBPRGKRZSA-N 1 0 218.300 1.906 10 0 BDAERO CC(C)COCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401894879 528097422 /nfs/dbraw/zinc/09/74/22/528097422.db2.gz JKRNNHHGTOOJHR-VXGBXAGGSA-N 1 0 215.337 1.362 10 0 BDAERO CC1(C(=O)NC[C@@H]2CCCC[NH2+]C2)CC1 ZINC000393730989 582920069 /nfs/dbraw/zinc/92/00/69/582920069.db2.gz GXRFGBNDYCIJSZ-SNVBAGLBSA-N 1 0 210.321 1.292 10 0 BDAERO CCC[NH+]1CCN(c2cc(Cl)ncn2)CC1 ZINC000048631079 534931289 /nfs/dbraw/zinc/93/12/89/534931289.db2.gz KQFIXSQZJCFWQS-UHFFFAOYSA-N 1 0 240.738 1.662 10 0 BDAERO CCCN1C[C@H](C2=[NH+]CCN2)Oc2ccccc21 ZINC000013518836 534992024 /nfs/dbraw/zinc/99/20/24/534992024.db2.gz PAQQKLNYFIWNPQ-CYBMUJFWSA-N 1 0 245.326 1.666 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000179204650 535145179 /nfs/dbraw/zinc/14/51/79/535145179.db2.gz FHXHHEGJLKGDHV-UWVGGRQHSA-N 1 0 200.326 1.474 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000251632521 535150959 /nfs/dbraw/zinc/15/09/59/535150959.db2.gz FMGAMQFWUVPFLK-MGPQQGTHSA-N 1 0 240.391 1.562 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080993617 535164378 /nfs/dbraw/zinc/16/43/78/535164378.db2.gz ABWZPFZONFBSEE-GHMZBOCLSA-N 1 0 212.337 1.679 10 0 BDAERO CCCN(C(=O)[C@@H]1C[C@H]1OCC)[C@H]1CC[NH2+]C1 ZINC000253554223 535233644 /nfs/dbraw/zinc/23/36/44/535233644.db2.gz AMZAPEZMASZXSS-QJPTWQEYSA-N 1 0 240.347 1.012 10 0 BDAERO CC(C)(O)CC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000250356868 535286464 /nfs/dbraw/zinc/28/64/64/535286464.db2.gz ANKMIJJMVWAEPU-LBPRGKRZSA-N 1 0 226.364 1.318 10 0 BDAERO CCCc1cc(N2CCC[C@H]([NH3+])C2)ncn1 ZINC000041030353 535398151 /nfs/dbraw/zinc/39/81/51/535398151.db2.gz XFIGPSYXNWBBFH-JTQLQIEISA-N 1 0 220.320 1.357 10 0 BDAERO CC[NH2+]C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000037756702 535451727 /nfs/dbraw/zinc/45/17/27/535451727.db2.gz WCLRYWIRNQAXBE-UHFFFAOYSA-N 1 0 234.347 1.672 10 0 BDAERO CCN1CCC[C@@H]1C[N@H+](C)[C@H]1CCCC[C@@H]1O ZINC000226249941 535546981 /nfs/dbraw/zinc/54/69/81/535546981.db2.gz AGUNDPCYFMSVMB-RDBSUJKOSA-N 1 0 240.391 1.706 10 0 BDAERO CC[NH+](CC)C[C@H](C)NCc1ccnc(C)n1 ZINC000054790896 535590456 /nfs/dbraw/zinc/59/04/56/535590456.db2.gz LVMOXRFXOWRNIC-NSHDSACASA-N 1 0 236.363 1.605 10 0 BDAERO CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000343699665 535758257 /nfs/dbraw/zinc/75/82/57/535758257.db2.gz UWYZYNCOKNHCQM-TUAOUCFPSA-N 1 0 245.363 1.177 10 0 BDAERO CC[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000262615018 535798553 /nfs/dbraw/zinc/79/85/53/535798553.db2.gz YZJRXANEKFSBLL-MWLCHTKSSA-N 1 0 226.364 1.783 10 0 BDAERO CC[C@@H]1CO[C@@H](C)CN1c1cc(C[NH3+])ccn1 ZINC000036794448 535843768 /nfs/dbraw/zinc/84/37/68/535843768.db2.gz KMRNVZIJAXPXQG-CMPLNLGQSA-N 1 0 235.331 1.544 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000309141726 535858702 /nfs/dbraw/zinc/85/87/02/535858702.db2.gz HIMZJUCJSKZUAB-UTUOFQBUSA-N 1 0 215.337 1.288 10 0 BDAERO CC[C@]1(C)CCCN(C(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000262582586 535901486 /nfs/dbraw/zinc/90/14/86/535901486.db2.gz UUGIUVIVAXVWLC-SMDDNHRTSA-N 1 0 238.375 1.881 10 0 BDAERO CCc1nsc(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261562233 535912009 /nfs/dbraw/zinc/91/20/09/535912009.db2.gz BEEPZFBISDCGQO-MRVPVSSYSA-N 1 0 240.376 1.664 10 0 BDAERO CCn1c(C)nnc1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000177892972 535974378 /nfs/dbraw/zinc/97/43/78/535974378.db2.gz ALYYGISDJFSPFT-ZJUUUORDSA-N 1 0 222.336 1.837 10 0 BDAERO CCc1ccsc1C(=O)NC1C[NH2+]C1 ZINC000085255660 536017191 /nfs/dbraw/zinc/01/71/91/536017191.db2.gz GNYXFPDJNCNIQU-UHFFFAOYSA-N 1 0 210.302 1.012 10 0 BDAERO CC[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176368333 536157858 /nfs/dbraw/zinc/15/78/58/536157858.db2.gz YYCGGDCBKFBWHI-NWDGAFQWSA-N 1 0 241.379 1.911 10 0 BDAERO CC[C@H]1CN(c2ccc(F)cc2C[NH3+])CCO1 ZINC000036770420 536160901 /nfs/dbraw/zinc/16/09/01/536160901.db2.gz DHDDDCVWZVUJQS-LBPRGKRZSA-N 1 0 238.306 1.900 10 0 BDAERO CC[C@H]1CO[C@H](C)CN1c1cc[nH+]cc1N ZINC000036131876 536171295 /nfs/dbraw/zinc/17/12/95/536171295.db2.gz FEOHSNRJQKVDAA-ZJUUUORDSA-N 1 0 221.304 1.668 10 0 BDAERO Cc1nn(C)c(Cn2cc[nH+]c2N)c1Cl ZINC000702518977 582927096 /nfs/dbraw/zinc/92/70/96/582927096.db2.gz WQEIXHIBPIWGSE-UHFFFAOYSA-N 1 0 225.683 1.209 10 0 BDAERO COC(=O)[C@H](C)C[N@H+](C)[C@H]1CCCC[C@H]1O ZINC000251122549 536605654 /nfs/dbraw/zinc/60/56/54/536605654.db2.gz RJLNCYMZZKAGTB-OUAUKWLOSA-N 1 0 229.320 1.031 10 0 BDAERO 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CC1CC[NH+](CCn2ccc(N)n2)CC1 ZINC000070945637 566273118 /nfs/dbraw/zinc/27/31/18/566273118.db2.gz BRGPSGUBNCNYPZ-UHFFFAOYSA-N 1 0 208.309 1.197 10 0 BDAERO COC(=O)[C@@H](N)CC[NH2+][C@H](C)c1ccccc1 ZINC000725262710 566308478 /nfs/dbraw/zinc/30/84/78/566308478.db2.gz GZZRPCZXVZQYHY-PWSUYJOCSA-N 1 0 236.315 1.228 10 0 BDAERO C[C@@H]1C[C@@H](C)[NH2+][C@H](CN2CCOCC2)C1 ZINC000669381451 566425822 /nfs/dbraw/zinc/42/58/22/566425822.db2.gz KDZZVAZWIAEFCR-UTUOFQBUSA-N 1 0 212.337 1.095 10 0 BDAERO c1cc(-c2cnnn2[C@@H]2CC[NH2+]C2)cs1 ZINC000685951972 566486825 /nfs/dbraw/zinc/48/68/25/566486825.db2.gz NEUMOQUDSGVKKB-SECBINFHSA-N 1 0 220.301 1.541 10 0 BDAERO CC1(C)CCC[C@]2(CC(=O)O[C@@H]2C[NH3+])C1 ZINC000675052937 566412562 /nfs/dbraw/zinc/41/25/62/566412562.db2.gz JFJCLYWOQHTFIQ-SKDRFNHKSA-N 1 0 211.305 1.847 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC ZINC000081940298 583162031 /nfs/dbraw/zinc/16/20/31/583162031.db2.gz FLGZUUGHVBSHHP-GHMZBOCLSA-N 1 0 233.377 1.732 10 0 BDAERO C[C@H]([NH2+]C1CCN(CCO)CC1)[C@H]1CC1(C)C ZINC000399010507 583169467 /nfs/dbraw/zinc/16/94/67/583169467.db2.gz XGWUINMBPNRTOT-WCQYABFASA-N 1 0 240.391 1.467 10 0 BDAERO CC(C)(C)[C@H]1CCc2[nH+]c(N)nc(N)c2C1 ZINC000003814902 581093344 /nfs/dbraw/zinc/09/33/44/581093344.db2.gz ZNQWFSHAFZBMJV-ZETCQYMHSA-N 1 0 220.320 1.792 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(Cc2ccncc2)no1 ZINC000111256658 588737907 /nfs/dbraw/zinc/73/79/07/588737907.db2.gz TTZKKHXBNKPTNS-MWLCHTKSSA-N 1 0 244.298 1.378 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N(C)C)cc1 ZINC000111264200 588738245 /nfs/dbraw/zinc/73/82/45/588738245.db2.gz CUAJGENPFLRZLQ-ZWNOBZJWSA-N 1 0 247.342 1.547 10 0 BDAERO Cc1nc([C@@H](O)C(F)F)sc1CC[NH3+] ZINC000757123945 582499025 /nfs/dbraw/zinc/49/90/25/582499025.db2.gz BNOHLNALIKTTIR-LURJTMIESA-N 1 0 222.260 1.251 10 0 BDAERO C[NH2+]Cc1csc([C@@H](O)C(F)(F)F)n1 ZINC000757128140 582502565 /nfs/dbraw/zinc/50/25/65/582502565.db2.gz JWFNSRDUNYNCRO-RXMQYKEDSA-N 1 0 226.223 1.458 10 0 BDAERO CCOC[C@@H](O)c1nc(C)c(CC[NH3+])s1 ZINC000757128438 582503072 /nfs/dbraw/zinc/50/30/72/582503072.db2.gz KWBBSDOUMFTXFQ-MRVPVSSYSA-N 1 0 230.333 1.023 10 0 BDAERO COC(=O)c1ccc(OC)c2c1CC[NH2+]CC2 ZINC000757131898 582507413 /nfs/dbraw/zinc/50/74/13/582507413.db2.gz NZTVXPADZQHEEG-UHFFFAOYSA-N 1 0 235.283 1.170 10 0 BDAERO c1ccc([C@@H]2CCOC3(CC[NH2+]CC3)N2)cc1 ZINC000757140585 582520963 /nfs/dbraw/zinc/52/09/63/582520963.db2.gz NKXCQHDBMKBVPC-ZDUSSCGKSA-N 1 0 232.327 1.817 10 0 BDAERO [NH3+]C[C@@H]1CCN1Cc1scnc1Cl ZINC000757140910 582521447 /nfs/dbraw/zinc/52/14/47/582521447.db2.gz CGWTWTVAQWCDFB-LURJTMIESA-N 1 0 217.725 1.330 10 0 BDAERO CC[NH+]1CCC2(CC1)NCC1(CC1)CO2 ZINC000757143133 582523291 /nfs/dbraw/zinc/52/32/91/582523291.db2.gz MEGWVMOGONRRBG-UHFFFAOYSA-N 1 0 210.321 1.198 10 0 BDAERO CC(C)(C)[C@H]1CN[C@]2(CCC[NH2+]C2)OC1 ZINC000757143746 582524117 /nfs/dbraw/zinc/52/41/17/582524117.db2.gz FFJZRDSTNKTANX-CMPLNLGQSA-N 1 0 212.337 1.348 10 0 BDAERO C1CC2(C1)CCNC1(C[C@H]3CC[C@@H](C1)[NH2+]3)O2 ZINC000757144592 582525239 /nfs/dbraw/zinc/52/52/39/582525239.db2.gz GCSOEJXPRURCEK-QYJAPNMZSA-N 1 0 222.332 1.530 10 0 BDAERO Cc1cc(COC[C@@H]([NH3+])CO)ccc1Cl ZINC000757145356 582527246 /nfs/dbraw/zinc/52/72/46/582527246.db2.gz LGLBCUDHFWVYPP-JTQLQIEISA-N 1 0 229.707 1.485 10 0 BDAERO C1C[C@]2(C[NH2+]1)NCC1(CCCCC1)CO2 ZINC000757147258 582531298 /nfs/dbraw/zinc/53/12/98/582531298.db2.gz LIRXPVXAXLTSBK-LBPRGKRZSA-N 1 0 210.321 1.246 10 0 BDAERO C[C@@H]1C[C@H](C)[NH2+]C2(CCN(C3CC3)CC2)O1 ZINC000757148723 582532302 /nfs/dbraw/zinc/53/23/02/582532302.db2.gz NTBPWAOMGBHVDV-WDEREUQCSA-N 1 0 224.348 1.728 10 0 BDAERO FC(F)[C@H]1CC[NH2+][C@]2(CN3CCC2CC3)O1 ZINC000757150059 582533690 /nfs/dbraw/zinc/53/36/90/582533690.db2.gz WQAWEMOXOYSEBF-MWLCHTKSSA-N 1 0 232.274 1.052 10 0 BDAERO CC1(C)C[C@]2(CO1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757151443 582535992 /nfs/dbraw/zinc/53/59/92/582535992.db2.gz ZKPKRFVBPAZTKN-XVKPBYJWSA-N 1 0 221.247 1.525 10 0 BDAERO C1CC1[C@H]1C[NH2+]C2(CCSCC2)OC1 ZINC000757151959 582536300 /nfs/dbraw/zinc/53/63/00/582536300.db2.gz UIAPHQACSHSFIC-JTQLQIEISA-N 1 0 213.346 1.856 10 0 BDAERO c1coc([C@@H]2CCOC3(CC[NH2+]CC3)N2)c1 ZINC000757152453 582536858 /nfs/dbraw/zinc/53/68/58/582536858.db2.gz SKMVGGJPMHWRGX-JTQLQIEISA-N 1 0 222.288 1.410 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1nc(C(F)(F)F)ns1 ZINC000757153554 582538302 /nfs/dbraw/zinc/53/83/02/582538302.db2.gz UNDMXJUIHDNXKU-BYPYZUCNSA-N 1 0 238.238 1.094 10 0 BDAERO CC(C)[C@H]1O[C@@]2(CCN(C)C2)[NH2+]CC1(C)C ZINC000757153807 582538803 /nfs/dbraw/zinc/53/88/03/582538803.db2.gz XQAGABIKOFPJMF-DGCLKSJQSA-N 1 0 226.364 1.689 10 0 BDAERO CCc1ccc(CSC[C@@H](O)CC[NH3+])o1 ZINC000757163947 582546157 /nfs/dbraw/zinc/54/61/57/582546157.db2.gz FXUFCVZOMWCCDN-VIFPVBQESA-N 1 0 229.345 1.785 10 0 BDAERO Cc1ccoc1CSC[C@@H](O)C[NH3+] ZINC000757165341 582547000 /nfs/dbraw/zinc/54/70/00/582547000.db2.gz KDMAVVWDCWFYAN-QMMMGPOBSA-N 1 0 201.291 1.141 10 0 BDAERO C[NH2+]C[C@H](O)CCCN(C)C(=O)OC(C)(C)C ZINC000757165128 582547071 /nfs/dbraw/zinc/54/70/71/582547071.db2.gz FEKPBIMEKUKVOL-SNVBAGLBSA-N 1 0 246.351 1.214 10 0 BDAERO Cc1ccoc1CSC[C@@](C)(O)C[NH3+] ZINC000757166928 582547711 /nfs/dbraw/zinc/54/77/11/582547711.db2.gz TUUHICRHTNUTFZ-JTQLQIEISA-N 1 0 215.318 1.531 10 0 BDAERO C[C@H]([NH3+])[C@@H](CO)SCc1ccc(Cl)o1 ZINC000757168556 582549418 /nfs/dbraw/zinc/54/94/18/582549418.db2.gz BXOSQHVISZLMGN-POYBYMJQSA-N 1 0 235.736 1.874 10 0 BDAERO C[NH2+]C[C@H](O)CSCc1ccc(Cl)o1 ZINC000757172686 582552042 /nfs/dbraw/zinc/55/20/42/582552042.db2.gz YRMQSZCPSVLROC-ZETCQYMHSA-N 1 0 235.736 1.747 10 0 BDAERO [NH3+]CC[C@@H]1CC[C@@H](c2ccc(C(=O)[O-])cc2)[NH2+]C1 ZINC000757209796 582559679 /nfs/dbraw/zinc/55/96/79/582559679.db2.gz CTUMLHJVVLEYHW-GWCFXTLKSA-N 1 0 248.326 1.774 10 0 BDAERO C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757217820 582561551 /nfs/dbraw/zinc/56/15/51/582561551.db2.gz SRASQISPNQAEJI-OASPWFOLSA-N 1 0 248.326 1.659 10 0 BDAERO C[C@@H]1C[C@H](C(=O)[O-])C[C@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757217819 582561882 /nfs/dbraw/zinc/56/18/82/582561882.db2.gz SRASQISPNQAEJI-JIMOISOXSA-N 1 0 248.326 1.659 10 0 BDAERO [NH3+][C@@H]1CCCN[C@@H]1c1cccc2cc[nH]c21 ZINC000757217815 582561932 /nfs/dbraw/zinc/56/19/32/582561932.db2.gz SQEHKOFJMCHYHT-DGCLKSJQSA-N 1 0 215.300 1.920 10 0 BDAERO C[C@@H]1C[C@H](C(=O)[O-])C[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757220276 582563482 /nfs/dbraw/zinc/56/34/82/582563482.db2.gz XYRCCCOPCOJFPN-ICCXJUOJSA-N 1 0 248.326 1.659 10 0 BDAERO Cc1ccncc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400490099 582578792 /nfs/dbraw/zinc/57/87/92/582578792.db2.gz CARNNUQNSHALDF-LLVKDONJSA-N 1 0 214.272 1.348 10 0 BDAERO C[C@H]1CN2C(=[NH+]CC[C@H]2c2cccnc2)N1 ZINC000235695483 582603104 /nfs/dbraw/zinc/60/31/04/582603104.db2.gz YVZRKXZMJVZWRT-ONGXEEELSA-N 1 0 216.288 1.176 10 0 BDAERO Cn1nccc1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000236100600 582638722 /nfs/dbraw/zinc/63/87/22/582638722.db2.gz HWXPRIHYECMHSG-SECBINFHSA-N 1 0 207.277 1.135 10 0 BDAERO NC1=[NH+]CC[C@H](c2ccc(F)c(F)c2)N1 ZINC000236272881 582643614 /nfs/dbraw/zinc/64/36/14/582643614.db2.gz FRTHOJHLYBJOEU-SECBINFHSA-N 1 0 211.215 1.314 10 0 BDAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1ncccn1 ZINC000037467212 582675123 /nfs/dbraw/zinc/67/51/23/582675123.db2.gz QJGDECPPNTWTMU-NSHDSACASA-N 1 0 217.247 1.858 10 0 BDAERO Cc1cc(N)nc(N[C@@H](C)[C@H]2CCCO2)[nH+]1 ZINC000891718802 582713110 /nfs/dbraw/zinc/71/31/10/582713110.db2.gz OAYNNAKHTPJSNK-DTWKUNHWSA-N 1 0 222.292 1.347 10 0 BDAERO Cc1cccnc1CCn1cc[nH+]c1N ZINC000702622471 582926275 /nfs/dbraw/zinc/92/62/75/582926275.db2.gz OCWZXCXOZGDHDS-UHFFFAOYSA-N 1 0 202.261 1.411 10 0 BDAERO Nc1[nH+]ccn1C[C@H]1CCC(F)(F)C1 ZINC000702458459 582926564 /nfs/dbraw/zinc/92/65/64/582926564.db2.gz AKRXEOXKKFMHSN-ZETCQYMHSA-N 1 0 201.220 1.901 10 0 BDAERO CC(C)n1ccc(Cn2cc[nH+]c2N)n1 ZINC000702449781 582926589 /nfs/dbraw/zinc/92/65/89/582926589.db2.gz LAACOLJOJJHNAD-UHFFFAOYSA-N 1 0 205.265 1.291 10 0 BDAERO CC[NH2+]C[C@@H](O)c1cc(C(F)(F)F)nn1C ZINC000705313786 582954305 /nfs/dbraw/zinc/95/43/05/582954305.db2.gz DLMORZJDZJDFIS-SSDOTTSWSA-N 1 0 237.225 1.082 10 0 BDAERO C[C@H](C[NH3+])[C@H](O)c1cnn(Cc2ccccc2)c1 ZINC000394488681 582987181 /nfs/dbraw/zinc/98/71/81/582987181.db2.gz PWSNUFDGVFHUSK-RISCZKNCSA-N 1 0 245.326 1.560 10 0 BDAERO CCn1nccc1[C@H]1OCCC[C@@H]1C[NH3+] ZINC000399859207 583213431 /nfs/dbraw/zinc/21/34/31/583213431.db2.gz VYEOVTOVVBEVJI-KOLCDFICSA-N 1 0 209.293 1.329 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CCOC(C)(C)C)C[C@H]1C ZINC000122916818 583909082 /nfs/dbraw/zinc/90/90/82/583909082.db2.gz MUNVGUNBUUPRAS-MNOVXSKESA-N 1 0 243.347 1.542 10 0 BDAERO CC1(C(=O)NC[C@H]2CCCC[NH2+]C2)CC1 ZINC000393730987 583913349 /nfs/dbraw/zinc/91/33/49/583913349.db2.gz GXRFGBNDYCIJSZ-JTQLQIEISA-N 1 0 210.321 1.292 10 0 BDAERO [NH3+]CC[C@H](O)c1cccc(Cl)c1F ZINC000088122135 584907425 /nfs/dbraw/zinc/90/74/25/584907425.db2.gz SZGPMFUVRXLZJF-QMMMGPOBSA-N 1 0 203.644 1.861 10 0 BDAERO COCc1ccc([C@H](C[NH3+])CC(=O)OC)cc1 ZINC000097430587 584932279 /nfs/dbraw/zinc/93/22/79/584932279.db2.gz AIXFHDCVFCUJDA-LBPRGKRZSA-N 1 0 237.299 1.438 10 0 BDAERO O=C(/C=C\c1ccco1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000103977823 585024700 /nfs/dbraw/zinc/02/47/00/585024700.db2.gz JLTSNRRJLFPMND-UFFRRDCGSA-N 1 0 246.310 1.692 10 0 BDAERO c1cn2c([nH+]1)N[C@@H](c1cccnc1)CC2 ZINC000232456421 585030885 /nfs/dbraw/zinc/03/08/85/585030885.db2.gz YQNZUGSTAZUZBS-SNVBAGLBSA-N 1 0 200.245 1.835 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1[C@@H]2CCCC[NH2+]C[C@@H]21 ZINC000757136737 586427270 /nfs/dbraw/zinc/42/72/70/586427270.db2.gz FILVSSIFFOJLDV-OUAUKWLOSA-N 1 0 225.332 1.964 10 0 BDAERO CC1(C)C[NH2+][C@]2(CN3CCC2CC3)OC1 ZINC000757139653 586427385 /nfs/dbraw/zinc/42/73/85/586427385.db2.gz IGAVXCZITWPDPD-GFCCVEGCSA-N 1 0 210.321 1.054 10 0 BDAERO FC(F)[C@H]1CC[NH2+][C@]2(CCCOCC2)O1 ZINC000757140514 586427440 /nfs/dbraw/zinc/42/74/40/586427440.db2.gz JIONXPOSLOJUEU-PSASIEDQSA-N 1 0 221.247 1.527 10 0 BDAERO CCCC[C@@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757153081 586429306 /nfs/dbraw/zinc/42/93/06/586429306.db2.gz MUAQJVMMSSPALK-LLVKDONJSA-N 1 0 248.392 1.320 10 0 BDAERO CCCC[C@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757153082 586429512 /nfs/dbraw/zinc/42/95/12/586429512.db2.gz MUAQJVMMSSPALK-NSHDSACASA-N 1 0 248.392 1.320 10 0 BDAERO COC(=O)C[C@@](C)([NH3+])CSC(C)C ZINC000757159150 586430513 /nfs/dbraw/zinc/43/05/13/586430513.db2.gz GYANZGQMJFHHFH-SECBINFHSA-N 1 0 205.323 1.409 10 0 BDAERO CN(C)c1ccc2c(c1)NC(=O)C[C@H]2C[NH3+] ZINC000757175207 586432919 /nfs/dbraw/zinc/43/29/19/586432919.db2.gz AZIIUUBEQMCUJZ-QMMMGPOBSA-N 1 0 219.288 1.137 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)Nc2c(F)c(F)ccc21 ZINC000757175947 586433012 /nfs/dbraw/zinc/43/30/12/586433012.db2.gz ODPAVPJPJPJERU-YFKPBYRVSA-N 1 0 212.199 1.349 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc[nH]c1 ZINC000757185857 586433944 /nfs/dbraw/zinc/43/39/44/586433944.db2.gz BAYOSEQWIZVVMX-GHMZBOCLSA-N 1 0 236.315 1.659 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCS[C@H]2C ZINC000757185720 586434130 /nfs/dbraw/zinc/43/41/30/586434130.db2.gz RRUMTLJSRZZEAA-QXEWZRGKSA-N 1 0 229.345 1.281 10 0 BDAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@]12CCCOC2 ZINC000757184020 586434166 /nfs/dbraw/zinc/43/41/66/586434166.db2.gz GWBNMRQDURFYSA-ZWNOBZJWSA-N 1 0 241.331 1.344 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1sccc1C ZINC000757187931 586435159 /nfs/dbraw/zinc/43/51/59/586435159.db2.gz IVEALKJPGVJQQZ-VHSXEESVSA-N 1 0 239.340 1.923 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1nccs1 ZINC000757189149 586435191 /nfs/dbraw/zinc/43/51/91/586435191.db2.gz MDQCZQUFVWACHZ-YUMQZZPRSA-N 1 0 226.301 1.009 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1csc(C)n1 ZINC000757187773 586435210 /nfs/dbraw/zinc/43/52/10/586435210.db2.gz HYVUAXQCSWLNGK-BDAKNGLRSA-N 1 0 240.328 1.318 10 0 BDAERO [NH3+]Cc1cccc([C@H]2CC[C@H](C(=O)[O-])[NH2+]C2)c1 ZINC000757207793 586437689 /nfs/dbraw/zinc/43/76/89/586437689.db2.gz BVRLHPMTYRLSGC-NWDGAFQWSA-N 1 0 234.299 1.066 10 0 BDAERO C[C@@H]1C[C@@H](c2ccc(C=O)s2)NC[C@H]1[NH3+] ZINC000757210648 586438478 /nfs/dbraw/zinc/43/84/78/586438478.db2.gz GMAQZPAKPPXIOM-QNSHHTMESA-N 1 0 224.329 1.558 10 0 BDAERO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2ccc(C(=O)[O-])cc2)[NH2+]1 ZINC000757213342 586439296 /nfs/dbraw/zinc/43/92/96/586439296.db2.gz JPWTZLKDYHZUGS-JIMOISOXSA-N 1 0 248.326 1.773 10 0 BDAERO CC(=O)c1cccc([C@H]2CC[C@@H](CN)[NH2+]C2)c1 ZINC000757212322 586439650 /nfs/dbraw/zinc/43/96/50/586439650.db2.gz ICMAVXGLQOLMFT-KBPBESRZSA-N 1 0 232.327 1.684 10 0 BDAERO NC[C@@H]1C[C@H](c2cccc(C=O)c2)CC[NH2+]1 ZINC000757213645 586439827 /nfs/dbraw/zinc/43/98/27/586439827.db2.gz LHPJEQIZGJDZIB-OLZOCXBDSA-N 1 0 218.300 1.293 10 0 BDAERO CCOC(=O)[C@H]1CC[C@H](CC(C)C)[NH2+]C1 ZINC000757215307 586440851 /nfs/dbraw/zinc/44/08/51/586440851.db2.gz MYAYVSLVHWPJQM-WDEREUQCSA-N 1 0 213.321 1.964 10 0 BDAERO C[C@@H]1N[C@@H](c2cccc(C=O)c2)CC[C@H]1[NH3+] ZINC000757217465 586441669 /nfs/dbraw/zinc/44/16/69/586441669.db2.gz RUMWKIWYBQBFRZ-ZWKOPEQDSA-N 1 0 218.300 1.639 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1C[C@@H](C)[C@H]([NH3+])CN1 ZINC000757228305 586442599 /nfs/dbraw/zinc/44/25/99/586442599.db2.gz CFPSWWQBWURNFQ-WQAKAFBOSA-N 1 0 219.332 1.575 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1CC[C@@H](CN)[NH2+]C1 ZINC000757229633 586443194 /nfs/dbraw/zinc/44/31/94/586443194.db2.gz FBHWSTKNSIIFRQ-PWSUYJOCSA-N 1 0 219.332 1.372 10 0 BDAERO [NH3+][C@@H]1CC[NH2+][C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000757237889 586443893 /nfs/dbraw/zinc/44/38/93/586443893.db2.gz QRYGEFFUZBAEPJ-MNOVXSKESA-N 1 0 220.272 1.137 10 0 BDAERO Cc1cc2c[nH]nc2cc1-c1ccc(C[NH3+])nn1 ZINC000757564634 586461164 /nfs/dbraw/zinc/46/11/64/586461164.db2.gz BWROCMXVOVPKPH-UHFFFAOYSA-N 1 0 239.282 1.787 10 0 BDAERO C[C@@H](c1nc(Cc2ccncc2)no1)[C@H](C)[NH3+] ZINC000109508994 588564649 /nfs/dbraw/zinc/56/46/49/588564649.db2.gz GTLRJRBSWZAIFZ-BDAKNGLRSA-N 1 0 232.287 1.506 10 0 BDAERO Cc1cc(N[C@@H]2COc3ccccc32)nc(N)[nH+]1 ZINC000110436839 588666147 /nfs/dbraw/zinc/66/61/47/588666147.db2.gz NGNPJAKTBFZUAT-SNVBAGLBSA-N 1 0 242.282 1.913 10 0 BDAERO Cc1cc2c(ncnc2N(C)[C@H]2CC[NH2+]C2)s1 ZINC000110779430 588695927 /nfs/dbraw/zinc/69/59/27/588695927.db2.gz HZUKNOMIZPXHRP-VIFPVBQESA-N 1 0 248.355 1.798 10 0 BDAERO Cn1ccnc1-c1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000122084559 589553941 /nfs/dbraw/zinc/55/39/41/589553941.db2.gz FFGVCXPGQNTWLJ-JGVFFNPUSA-N 1 0 233.275 1.065 10 0 BDAERO CC(C)CNC(=S)N1CC[C@@H]([NH+](C)C)C1 ZINC000122383727 589584963 /nfs/dbraw/zinc/58/49/63/589584963.db2.gz ZNXBMLUYEMIWRH-SNVBAGLBSA-N 1 0 229.393 1.153 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)N2CCCCC2)C1 ZINC000122402124 589586121 /nfs/dbraw/zinc/58/61/21/589586121.db2.gz JXQBARRDGKERFS-LLVKDONJSA-N 1 0 225.336 1.228 10 0 BDAERO CCN1CCO[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000122786346 589631795 /nfs/dbraw/zinc/63/17/95/589631795.db2.gz ZPLNXQSITIKOBC-GFCCVEGCSA-N 1 0 224.304 1.090 10 0 BDAERO C[C@H]1COCCN1Cc1cccc2c1CC[NH2+]C2 ZINC000123900371 589849116 /nfs/dbraw/zinc/84/91/16/589849116.db2.gz NFUREPFQOPDNDR-LBPRGKRZSA-N 1 0 246.354 1.553 10 0 BDAERO CCOC(CN1C[C@H](C)[C@H]([NH+](C)C)C1)OCC ZINC000124548433 590049705 /nfs/dbraw/zinc/04/97/05/590049705.db2.gz SPGHRPYMPRYKAH-NWDGAFQWSA-N 1 0 244.379 1.267 10 0 BDAERO Oc1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000019993502 590065540 /nfs/dbraw/zinc/06/55/40/590065540.db2.gz YGHSRYIWMCILSJ-SNVBAGLBSA-N 1 0 231.255 1.867 10 0 BDAERO CCCNC(=O)C[NH2+]CCc1ccccc1 ZINC000020050685 590070725 /nfs/dbraw/zinc/07/07/25/590070725.db2.gz VXMRZFYEELEGDD-UHFFFAOYSA-N 1 0 220.316 1.345 10 0 BDAERO C[C@H]1C[N@H+](CC2(O)CCCCC2)C[C@@H]1N(C)C ZINC000124756735 590081013 /nfs/dbraw/zinc/08/10/13/590081013.db2.gz YQKHCDIXZMYHNO-STQMWFEESA-N 1 0 240.391 1.564 10 0 BDAERO CN(CC(C)(C)C[NH3+])c1cncc(Cl)n1 ZINC000126507401 590323961 /nfs/dbraw/zinc/32/39/61/590323961.db2.gz KERZZBYGIRCPJB-UHFFFAOYSA-N 1 0 228.727 1.551 10 0 BDAERO CO[C@]1(C[NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000211117894 591124651 /nfs/dbraw/zinc/12/46/51/591124651.db2.gz PRXLOMQYAMFGDD-LBPRGKRZSA-N 1 0 244.335 1.361 10 0 BDAERO CCN(C(=O)C[C@@H]([NH3+])C(C)C)C(C)C ZINC000128894855 591176216 /nfs/dbraw/zinc/17/62/16/591176216.db2.gz GFDIODFSBKLWKC-SNVBAGLBSA-N 1 0 200.326 1.617 10 0 BDAERO CCCCNC(=S)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000130403795 591464212 /nfs/dbraw/zinc/46/42/12/591464212.db2.gz UNYCJXMOTDTWFU-GHMZBOCLSA-N 1 0 243.420 1.543 10 0 BDAERO CO[C@@H](c1noc([C@H](C)C[NH3+])n1)C1CC1 ZINC000131249531 591578606 /nfs/dbraw/zinc/57/86/06/591578606.db2.gz ADLMWSMZSHFSDY-HTRCEHHLSA-N 1 0 211.265 1.229 10 0 BDAERO Cc1occc1-c1noc([C@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000131870939 591672150 /nfs/dbraw/zinc/67/21/50/591672150.db2.gz KPZQUXIFYJVWHJ-VXNVDRBHSA-N 1 0 235.243 1.033 10 0 BDAERO C[NH2+][C@H](C)c1nc(-c2ncc(C)cn2)no1 ZINC000132553757 591718400 /nfs/dbraw/zinc/71/84/00/591718400.db2.gz AATTWZSYYGLLNP-SSDOTTSWSA-N 1 0 219.248 1.115 10 0 BDAERO C[C@H]1OCC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000134257655 591907778 /nfs/dbraw/zinc/90/77/78/591907778.db2.gz UJUZJYDRXRUJBX-MNOVXSKESA-N 1 0 228.336 1.189 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1C(N)=O ZINC000136304530 592105703 /nfs/dbraw/zinc/10/57/03/592105703.db2.gz XEGDOBODQRATFS-JTQLQIEISA-N 1 0 249.314 1.097 10 0 BDAERO Cc1ccccc1[C@@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000220142810 592283420 /nfs/dbraw/zinc/28/34/20/592283420.db2.gz TYFDILHWIMGYTD-HIFRSBDPSA-N 1 0 248.370 1.664 10 0 BDAERO CCCCN1C[C@]2(CCC[NH2+]C2)OC1=O ZINC000220632732 592317767 /nfs/dbraw/zinc/31/77/67/592317767.db2.gz FGNYXQYPXDCJPW-LLVKDONJSA-N 1 0 212.293 1.361 10 0 BDAERO O=C1O[C@]2(CN1C1CCCC1)CCC[NH2+]C2 ZINC000221838495 592447689 /nfs/dbraw/zinc/44/76/89/592447689.db2.gz KJPQORDNTQXYTI-GFCCVEGCSA-N 1 0 224.304 1.503 10 0 BDAERO CS[C@@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000300358075 592507804 /nfs/dbraw/zinc/50/78/04/592507804.db2.gz BFPGXUYOIOLITQ-VPOLOUISSA-N 1 0 242.388 1.514 10 0 BDAERO Cc1cc(N2CCC[C@]23CC[NH2+]C3)ncn1 ZINC000257711621 634477270 /nfs/dbraw/zinc/47/72/70/634477270.db2.gz NVGPHSFKDLWMRD-GFCCVEGCSA-N 1 0 218.304 1.117 10 0 BDAERO CC(C)CCc1cc2n(n1)[C@@H](C[NH3+])CCN2 ZINC000232622582 635513034 /nfs/dbraw/zinc/51/30/34/635513034.db2.gz VLEZGZYSPFQKLM-LLVKDONJSA-N 1 0 222.336 1.787 10 0 BDAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cscn1 ZINC000222687677 631252368 /nfs/dbraw/zinc/25/23/68/631252368.db2.gz BLQDFCLXQNPUPZ-IWSPIJDZSA-N 1 0 212.318 1.971 10 0 BDAERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C12CCC2 ZINC000308389805 631310115 /nfs/dbraw/zinc/31/01/15/631310115.db2.gz IJUMXEYDGPWKCF-QNWHQSFQSA-N 1 0 239.359 1.837 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2Cc3ccccc32)n1 ZINC000090986763 631485132 /nfs/dbraw/zinc/48/51/32/631485132.db2.gz NNDPFFACQRPWBI-LDYMZIIASA-N 1 0 229.283 1.820 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)n2)C[C@@H]1C ZINC000094996768 631583504 /nfs/dbraw/zinc/58/35/04/631583504.db2.gz DMIKMUATSWMJTF-GXFFZTMASA-N 1 0 248.326 1.631 10 0 BDAERO CC(=O)[C@@H]1CCC[N@@H+](CCC[C@H](C)O)C1 ZINC000308819276 631672702 /nfs/dbraw/zinc/67/27/02/631672702.db2.gz BVPAFOVZDHTSGJ-CMPLNLGQSA-N 1 0 213.321 1.448 10 0 BDAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)c1 ZINC000308972044 631770120 /nfs/dbraw/zinc/77/01/20/631770120.db2.gz AELSGAWETUTQFT-DCAQKATOSA-N 1 0 208.305 1.810 10 0 BDAERO COC1CC([NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000308969698 631773643 /nfs/dbraw/zinc/77/36/43/631773643.db2.gz YIOLYMBDVWNWIF-WFRXLMHJSA-N 1 0 209.293 1.546 10 0 BDAERO CCc1nc(CC[NH2+][C@@H]2CC[C@@H]2C)no1 ZINC000309028367 631809701 /nfs/dbraw/zinc/80/97/01/631809701.db2.gz CDUWNMXPYHFZPB-DTWKUNHWSA-N 1 0 209.293 1.563 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000309041705 631825441 /nfs/dbraw/zinc/82/54/41/631825441.db2.gz LPBNORWTSCFQHT-CIUDSAMLSA-N 1 0 212.268 1.641 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000309103753 631879087 /nfs/dbraw/zinc/87/90/87/631879087.db2.gz GZGDVSBWBVTQHY-GMTAPVOTSA-N 1 0 205.305 1.586 10 0 BDAERO [NH3+][C@@H]1CC[C@H](CNc2cncc(Cl)n2)C1 ZINC000309116745 631888951 /nfs/dbraw/zinc/88/89/51/631888951.db2.gz RCEDQCDIVQECBB-JGVFFNPUSA-N 1 0 226.711 1.669 10 0 BDAERO CCOc1ccccc1-c1nc(CC[NH2+]C)no1 ZINC000051850778 631963259 /nfs/dbraw/zinc/96/32/59/631963259.db2.gz AQRZWYLRCPDSAC-UHFFFAOYSA-N 1 0 247.298 1.897 10 0 BDAERO CC[C@H]1CN(C/C=C\Cl)CC[N@@H+]1CCOC ZINC000255552993 632014901 /nfs/dbraw/zinc/01/49/01/632014901.db2.gz FCTZDJYADXHCKD-RXNFCKPNSA-N 1 0 246.782 1.782 10 0 BDAERO c1nc2c([nH]1)[C@]1(CCCSC1)[NH2+]CC2 ZINC000259517090 632033621 /nfs/dbraw/zinc/03/36/21/632033621.db2.gz QXEKLMJVFYZLAN-SNVBAGLBSA-N 1 0 209.318 1.278 10 0 BDAERO Cc1cc(C)cc(C(=O)NCC2CC([NH3+])C2)c1 ZINC000091525233 632051821 /nfs/dbraw/zinc/05/18/21/632051821.db2.gz IAZVGPMHXXSYFR-UHFFFAOYSA-N 1 0 232.327 1.771 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000251360829 635704975 /nfs/dbraw/zinc/70/49/75/635704975.db2.gz VJNAVACNAYIMOW-SRVKXCTJSA-N 1 0 226.364 1.912 10 0 BDAERO CCCC[NH2+]C[C@@H](C)N1CCOCC1 ZINC000047848606 635783722 /nfs/dbraw/zinc/78/37/22/635783722.db2.gz YYFJGJUNUFPDJV-LLVKDONJSA-N 1 0 200.326 1.097 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](CCCCCF)C[C@@H]1C ZINC000309151854 632650302 /nfs/dbraw/zinc/65/03/02/632650302.db2.gz SHEHWIONYCQWDN-WDEREUQCSA-N 1 0 231.311 1.867 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2CO)no1 ZINC000309871790 632678277 /nfs/dbraw/zinc/67/82/77/632678277.db2.gz QXKCOVHJBSBIPL-PWSUYJOCSA-N 1 0 224.304 1.624 10 0 BDAERO COc1ccc2c(c1OC)[C@H](C[NH3+])CC(=O)N2 ZINC000057954679 632774773 /nfs/dbraw/zinc/77/47/73/632774773.db2.gz LULZXKWXWSOBFJ-ZETCQYMHSA-N 1 0 236.271 1.088 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000309291027 632893870 /nfs/dbraw/zinc/89/38/70/632893870.db2.gz WAYODVCXCNDVIY-WYUUTHIRSA-N 1 0 224.348 1.822 10 0 BDAERO C[NH+](C)CCOc1ccc(Cl)nn1 ZINC000001699011 632993219 /nfs/dbraw/zinc/99/32/19/632993219.db2.gz ICFLXHWVQULLAJ-UHFFFAOYSA-N 1 0 201.657 1.070 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1C ZINC000166445626 633114383 /nfs/dbraw/zinc/11/43/83/633114383.db2.gz IDKIMDJRPHJMGN-VXGBXAGGSA-N 1 0 237.274 1.610 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(F)c(C)c1 ZINC000166493857 633115408 /nfs/dbraw/zinc/11/54/08/633115408.db2.gz RHSOIEZODKDQCF-MNOVXSKESA-N 1 0 237.274 1.610 10 0 BDAERO COC1CC([NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000308253397 633221123 /nfs/dbraw/zinc/22/11/23/633221123.db2.gz HEMQLPZBUIWXAJ-YDYPAMBWSA-N 1 0 201.335 1.647 10 0 BDAERO C[C@@H]1COC[C@H](C)[N@H+]1C[Si](C)(C)C ZINC000172668916 633230973 /nfs/dbraw/zinc/23/09/73/633230973.db2.gz CXHXQQOORGQVES-AOOOYVTPSA-N 1 0 201.386 1.973 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000390458607 635954726 /nfs/dbraw/zinc/95/47/26/635954726.db2.gz DWWDBXHOFSRZFJ-DGCLKSJQSA-N 1 0 224.348 1.799 10 0 BDAERO [NH3+]C[C@@H]1CCCN1Cc1csc(Cl)n1 ZINC000307694002 635994042 /nfs/dbraw/zinc/99/40/42/635994042.db2.gz VGYURWMXFSFTCN-QMMMGPOBSA-N 1 0 231.752 1.720 10 0 BDAERO CCOc1cccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC)c1 ZINC000166513281 636135511 /nfs/dbraw/zinc/13/55/11/636135511.db2.gz NPFFISHVODSEER-STQMWFEESA-N 1 0 249.310 1.561 10 0 BDAERO CC(C)(CO)[NH2+]Cc1ccnc(Cl)c1 ZINC000067486158 636139773 /nfs/dbraw/zinc/13/97/73/636139773.db2.gz LSINBEIRTHTIHG-UHFFFAOYSA-N 1 0 214.696 1.596 10 0 BDAERO C[C@@H](O)[C@@H](C)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000309817226 633780900 /nfs/dbraw/zinc/78/09/00/633780900.db2.gz BTPLELZWINISGV-HTQZYQBOSA-N 1 0 233.262 1.007 10 0 BDAERO C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)[C@H](C)O ZINC000309817228 633781009 /nfs/dbraw/zinc/78/10/09/633781009.db2.gz BTPLELZWINISGV-SFYZADRCSA-N 1 0 233.262 1.007 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCc2cccs2)C1 ZINC000309312328 633897124 /nfs/dbraw/zinc/89/71/24/633897124.db2.gz XLVMZGMKCJDXNZ-QWRGUYRKSA-N 1 0 241.356 1.372 10 0 BDAERO c1cc(C[NH2+][C@H]2CCCc3[nH]ccc32)n[nH]1 ZINC000309398203 633907323 /nfs/dbraw/zinc/90/73/23/633907323.db2.gz VTVQAGWNVLCOMI-LBPRGKRZSA-N 1 0 216.288 1.905 10 0 BDAERO C[C@@H](NC(=O)NC(C)(C)C)C1CC[NH2+]CC1 ZINC000035691035 633962805 /nfs/dbraw/zinc/96/28/05/633962805.db2.gz QMJDODXBTYVTGH-SECBINFHSA-N 1 0 227.352 1.472 10 0 BDAERO CC[C@@H]1C[C@@H](C[NH2+]C2CC(OC)C2)CCO1 ZINC000309620998 633975171 /nfs/dbraw/zinc/97/51/71/633975171.db2.gz DICPCSXGSUKABO-GMKTYKIGSA-N 1 0 227.348 1.959 10 0 BDAERO Cc1cc(C[NH2+][C@H](C)[C@@H](C)O)cc(C)c1O ZINC000309972095 634003440 /nfs/dbraw/zinc/00/34/40/634003440.db2.gz QADVNJFMLUDHKS-GHMZBOCLSA-N 1 0 223.316 1.868 10 0 BDAERO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)[C@H](C)O ZINC000309979271 634016920 /nfs/dbraw/zinc/01/69/20/634016920.db2.gz VKGUTDKNJJNPQG-RQJHMYQMSA-N 1 0 233.233 1.963 10 0 BDAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000035734969 634079094 /nfs/dbraw/zinc/07/90/94/634079094.db2.gz MNSHTFFQCNXZHW-AXFHLTTASA-N 1 0 228.336 1.044 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1cccc(F)n1 ZINC000162453756 634160788 /nfs/dbraw/zinc/16/07/88/634160788.db2.gz MTWJNLDYVMAAGM-IUCAKERBSA-N 1 0 209.268 1.760 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1Nc1cccc(F)n1 ZINC000162453396 634161116 /nfs/dbraw/zinc/16/11/16/634161116.db2.gz MTWJNLDYVMAAGM-RKDXNWHRSA-N 1 0 209.268 1.760 10 0 BDAERO CC(C)([NH3+])c1cn(CCC2CCOCC2)nn1 ZINC000310589555 634166306 /nfs/dbraw/zinc/16/63/06/634166306.db2.gz YHIVTFRATIAAGG-UHFFFAOYSA-N 1 0 238.335 1.289 10 0 BDAERO Cc1cc(C)cc(NC(=O)C2CC([NH3+])C2)c1 ZINC000258713003 635192268 /nfs/dbraw/zinc/19/22/68/635192268.db2.gz KZDDTUXCDNPMBB-UHFFFAOYSA-N 1 0 218.300 1.979 10 0 BDAERO Cc1cccc(N(C)C(=O)C2CC([NH3+])C2)c1 ZINC000258748992 635195791 /nfs/dbraw/zinc/19/57/91/635195791.db2.gz PXYFVNNIWKSWAJ-UHFFFAOYSA-N 1 0 218.300 1.695 10 0 BDAERO CCOc1ccccc1NC(=O)C1CC([NH3+])C1 ZINC000258819592 635208738 /nfs/dbraw/zinc/20/87/38/635208738.db2.gz UZDTXIXJKNOFLJ-UHFFFAOYSA-N 1 0 234.299 1.761 10 0 BDAERO Cc1ccc(F)c(C[NH2+][C@@H](C)[C@@H](C)O)c1 ZINC000336765973 635285148 /nfs/dbraw/zinc/28/51/48/635285148.db2.gz RPOPQLUDNAOPBJ-VHSXEESVSA-N 1 0 211.280 1.993 10 0 BDAERO CO[C@@H](c1noc(CCC(C)(C)[NH3+])n1)C1CC1 ZINC000227331536 635448518 /nfs/dbraw/zinc/44/85/18/635448518.db2.gz UJMMFDKDANQCIK-SNVBAGLBSA-N 1 0 239.319 1.837 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)c2ccc(C)cc2)C1 ZINC000310333727 635621491 /nfs/dbraw/zinc/62/14/91/635621491.db2.gz ICZMIFWFJCLGJD-CHWSQXEVSA-N 1 0 248.326 1.335 10 0 BDAERO Cc1cccc(N2C[C@H](CC[NH3+])OC2=O)c1 ZINC000082365417 635757900 /nfs/dbraw/zinc/75/79/00/635757900.db2.gz IJYHWWHQOVRBIQ-NSHDSACASA-N 1 0 220.272 1.669 10 0 BDAERO COc1ccc(-c2nc([C@H](C)C[NH3+])no2)cc1 ZINC000054158712 635774432 /nfs/dbraw/zinc/77/44/32/635774432.db2.gz NTCLNTLAHSOMJN-MRVPVSSYSA-N 1 0 233.271 1.807 10 0 BDAERO C[C@H](C[NH3+])c1noc(COc2ccccc2)n1 ZINC000054158588 635774614 /nfs/dbraw/zinc/77/46/14/635774614.db2.gz NYIKAAMEEGWGIO-SECBINFHSA-N 1 0 233.271 1.711 10 0 BDAERO CCN(CC(F)F)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000386240183 636545846 /nfs/dbraw/zinc/54/58/46/636545846.db2.gz SKTBBEZNEPKFIS-IUCAKERBSA-N 1 0 234.290 1.475 10 0 BDAERO C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179120815 636676863 /nfs/dbraw/zinc/67/68/63/636676863.db2.gz NLVWDSSVPSOULH-TZMCWYRMSA-N 1 0 246.354 1.686 10 0 BDAERO CCn1ncnc1[C@](C)([NH3+])c1ccccc1 ZINC000054498757 636743924 /nfs/dbraw/zinc/74/39/24/636743924.db2.gz YJWUNLPLOPVXPL-GFCCVEGCSA-N 1 0 216.288 1.520 10 0 BDAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCN(OC)CC1 ZINC000323127360 636901376 /nfs/dbraw/zinc/90/13/76/636901376.db2.gz OLKWIIAHSACPDC-ZYHUDNBSSA-N 1 0 212.337 1.790 10 0 BDAERO CCON1CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000323389922 636925442 /nfs/dbraw/zinc/92/54/42/636925442.db2.gz RHLUJFYBUOHGHM-ZYHUDNBSSA-N 1 0 228.336 1.169 10 0 BDAERO C[C@@H]1OCC[C@@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000149139443 638149202 /nfs/dbraw/zinc/14/92/02/638149202.db2.gz QEXYNXBOFWAMBI-CABZTGNLSA-N 1 0 234.299 1.053 10 0 BDAERO C[C@@H]1OCC[C@H]1NC(=O)c1cccc(C[NH3+])c1 ZINC000149138998 638149995 /nfs/dbraw/zinc/14/99/95/638149995.db2.gz QEXYNXBOFWAMBI-JOYOIKCWSA-N 1 0 234.299 1.053 10 0 BDAERO C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)C(C)(C)C ZINC000149232573 638242580 /nfs/dbraw/zinc/24/25/80/638242580.db2.gz ZAVJYADZZQYDTK-VWYCJHECSA-N 1 0 226.364 1.912 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000149253578 638256258 /nfs/dbraw/zinc/25/62/58/638256258.db2.gz QGPZHWLFVOOMGK-NXEZZACHSA-N 1 0 212.337 1.394 10 0 BDAERO CCOc1ccccc1[C@@H]1CC[NH+]=C(N)N1 ZINC000149838422 639197198 /nfs/dbraw/zinc/19/71/98/639197198.db2.gz SPEQURLIBFNAJV-JTQLQIEISA-N 1 0 219.288 1.434 10 0 BDAERO CCOc1ccccc1[C@H]1CC[NH+]=C(N)N1 ZINC000149838610 639197816 /nfs/dbraw/zinc/19/78/16/639197816.db2.gz SPEQURLIBFNAJV-SNVBAGLBSA-N 1 0 219.288 1.434 10 0 BDAERO CC[NH2+]CC(=O)N[C@H](C)c1cccs1 ZINC000044290823 640175889 /nfs/dbraw/zinc/17/58/89/640175889.db2.gz NXFJZNHPXXESHF-MRVPVSSYSA-N 1 0 212.318 1.535 10 0 BDAERO CC(C)C[C@H]([NH3+])c1nc(C2CC2)nn1C ZINC000054698341 640303256 /nfs/dbraw/zinc/30/32/56/640303256.db2.gz BVJKXXJQDGMDEQ-VIFPVBQESA-N 1 0 208.309 1.738 10 0 BDAERO CCc1nc(CC[C@@H]2CCCC[NH2+]2)n(C)n1 ZINC000054696821 640306332 /nfs/dbraw/zinc/30/63/32/640306332.db2.gz IPGKGRJKBHGBAU-JTQLQIEISA-N 1 0 222.336 1.452 10 0 BDAERO CCC[C@@](C)([NH3+])c1nc(C(C)C)nn1C ZINC000054697921 640306549 /nfs/dbraw/zinc/30/65/49/640306549.db2.gz JSWMKXMYUGPBHN-LLVKDONJSA-N 1 0 210.325 1.913 10 0 BDAERO CCc1nc(C2([NH3+])CCC(C)CC2)n(C)n1 ZINC000054696860 640306758 /nfs/dbraw/zinc/30/67/58/640306758.db2.gz YTZYRWGIFGZZJU-UHFFFAOYSA-N 1 0 222.336 1.742 10 0 BDAERO CC[C@@H]([NH3+])c1nc(-c2cccs2)nn1C ZINC000054699872 640320485 /nfs/dbraw/zinc/32/04/85/640320485.db2.gz HPXRCXPRDGQWCR-SSDOTTSWSA-N 1 0 222.317 1.953 10 0 BDAERO CC[C@@H]([NH3+])c1nc(C2CCCC2)nn1C ZINC000054699267 640321734 /nfs/dbraw/zinc/32/17/34/640321734.db2.gz HILSGBVQDDHJDO-SECBINFHSA-N 1 0 208.309 1.883 10 0 BDAERO CCN(c1ncncc1Cl)[C@@H]1CC[NH2+]C1 ZINC000163680501 640406065 /nfs/dbraw/zinc/40/60/65/640406065.db2.gz MKMVDNFDSCPPST-MRVPVSSYSA-N 1 0 226.711 1.318 10 0 BDAERO CC(C)[C@@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055086164 640434377 /nfs/dbraw/zinc/43/43/77/640434377.db2.gz DLQUARBWVGILGA-MXWKQRLJSA-N 1 0 212.337 1.665 10 0 BDAERO OCC[C@H]1CC[N@H+](CCSC(F)(F)F)C1 ZINC000164367789 640471813 /nfs/dbraw/zinc/47/18/13/640471813.db2.gz NCOPISHLTMIGKY-MRVPVSSYSA-N 1 0 243.294 1.944 10 0 BDAERO CCCOc1ccnc(N[C@H](C)CCC[NH3+])n1 ZINC000164945168 640520750 /nfs/dbraw/zinc/52/07/50/640520750.db2.gz PIMQJPDOOZKGED-SNVBAGLBSA-N 1 0 238.335 1.805 10 0 BDAERO CC[C@@H]1CC[NH2+][C@@H]([C@@H]2COCCC2=O)C1 ZINC000167563963 640732968 /nfs/dbraw/zinc/73/29/68/640732968.db2.gz MDOUGJDRPRPLQN-OUAUKWLOSA-N 1 0 211.305 1.370 10 0 BDAERO CC(C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226109509 640733775 /nfs/dbraw/zinc/73/37/75/640733775.db2.gz DTTVQECKRCDBJH-IJLUTSLNSA-N 1 0 215.337 1.287 10 0 BDAERO OCCCCCC[N@@H+]1CCC[C@H]1CCCO ZINC000226837700 640799825 /nfs/dbraw/zinc/79/98/25/640799825.db2.gz MUDHRUHDQVQQMH-ZDUSSCGKSA-N 1 0 229.364 1.776 10 0 BDAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cn1 ZINC000158179950 640819851 /nfs/dbraw/zinc/81/98/51/640819851.db2.gz JEAYTKXRXSVOIO-STQMWFEESA-N 1 0 220.316 1.783 10 0 BDAERO CO[C@H](c1noc(C[C@@H]2CCC[NH2+]2)n1)C1CC1 ZINC000227329392 640828052 /nfs/dbraw/zinc/82/80/52/640828052.db2.gz GFQLIBKNEHDPFF-ONGXEEELSA-N 1 0 237.303 1.462 10 0 BDAERO CC(C)C[C@@H](O)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000227695672 640845728 /nfs/dbraw/zinc/84/57/28/640845728.db2.gz JFLLADCTFKILNG-YPMHNXCESA-N 1 0 242.363 1.042 10 0 BDAERO COC(=O)[C@@H]1C[N@@H+]([C@H]2C=CCCC2)C[C@@H]1C ZINC000228274047 640867660 /nfs/dbraw/zinc/86/76/60/640867660.db2.gz KEWVVXQKKPETAX-SDDRHHMPSA-N 1 0 223.316 1.836 10 0 BDAERO CSCC[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000228943852 640905871 /nfs/dbraw/zinc/90/58/71/640905871.db2.gz YRVVBCMJSSLIDI-QWRGUYRKSA-N 1 0 244.404 1.634 10 0 BDAERO CSCC[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000228943865 640905972 /nfs/dbraw/zinc/90/59/72/640905972.db2.gz YRVVBCMJSSLIDI-GHMZBOCLSA-N 1 0 244.404 1.634 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@@H](C)CC2 ZINC000229202791 640931207 /nfs/dbraw/zinc/93/12/07/640931207.db2.gz DISJJQKKFXOILU-MDZLAQPJSA-N 1 0 225.332 1.965 10 0 BDAERO Cc1c(C[NH2+]C[C@H](O)c2ccco2)cnn1C ZINC000229803163 640983242 /nfs/dbraw/zinc/98/32/42/640983242.db2.gz CAIZVQDBHOPMBO-NSHDSACASA-N 1 0 235.287 1.145 10 0 BDAERO c1ccc2c(c1)C[NH2+]CCN2C[C@@H]1CCCO1 ZINC000062615562 641067807 /nfs/dbraw/zinc/06/78/07/641067807.db2.gz NCFFTBGXOZWTSF-ZDUSSCGKSA-N 1 0 232.327 1.775 10 0 BDAERO c1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)co1 ZINC000063084614 641127400 /nfs/dbraw/zinc/12/74/00/641127400.db2.gz HGWYLVGILRGKMZ-VIFPVBQESA-N 1 0 233.271 1.872 10 0 BDAERO C[C@@H]1C[C@@H]1c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084608 641127835 /nfs/dbraw/zinc/12/78/35/641127835.db2.gz MCLATGKPUBCITE-UTLUCORTSA-N 1 0 221.304 1.735 10 0 BDAERO C[NH+](C)[C@H]1CCN(Cc2cnc(Cl)cn2)C1 ZINC000231281072 641150328 /nfs/dbraw/zinc/15/03/28/641150328.db2.gz MMZJUMRBVTZRNL-JTQLQIEISA-N 1 0 240.738 1.266 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C[C@@H](O)CC1CCCC1 ZINC000232148779 641248136 /nfs/dbraw/zinc/24/81/36/641248136.db2.gz BXBLLXDPOIYWBL-STQMWFEESA-N 1 0 226.364 1.351 10 0 BDAERO Oc1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)cc1F ZINC000232349437 641266063 /nfs/dbraw/zinc/26/60/63/641266063.db2.gz TZUYOSHPTXCFFG-MRVPVSSYSA-N 1 0 249.245 1.658 10 0 BDAERO CC(C)(CO)[NH2+][C@H]1CCc2ccccc2NC1=O ZINC000232517479 641293729 /nfs/dbraw/zinc/29/37/29/641293729.db2.gz IPISQFGLPDAWKI-LBPRGKRZSA-N 1 0 248.326 1.300 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000323945884 641311309 /nfs/dbraw/zinc/31/13/09/641311309.db2.gz BLQFIYFFICALEN-OLZOCXBDSA-N 1 0 240.391 1.731 10 0 BDAERO CN(C[C@H]1CCCO1)C(=O)CCCCCC[NH3+] ZINC000042465854 641552730 /nfs/dbraw/zinc/55/27/30/641552730.db2.gz GNVHALFNDKKDMT-GFCCVEGCSA-N 1 0 242.363 1.533 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1sccc1Cl ZINC000044255021 641592464 /nfs/dbraw/zinc/59/24/64/641592464.db2.gz MGJYFNHSDWWYFH-RXMQYKEDSA-N 1 0 204.682 1.277 10 0 BDAERO O=C1c2ccoc2CC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000159164960 641669503 /nfs/dbraw/zinc/66/95/03/641669503.db2.gz VYKMUFYOWPDYET-WPRPVWTQSA-N 1 0 205.257 1.777 10 0 BDAERO CC(C)(C)[C@H](O)CNC(=O)CCCCC[NH3+] ZINC000324312657 641696396 /nfs/dbraw/zinc/69/63/96/641696396.db2.gz FKWWLHVLVKRAGK-SNVBAGLBSA-N 1 0 230.352 1.029 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H](CO)c1ccccc1 ZINC000238310054 642315247 /nfs/dbraw/zinc/31/52/47/642315247.db2.gz ZWQMUVXXHMLBEM-NEPJUHHUSA-N 1 0 209.289 1.081 10 0 BDAERO CC[C@@H](C)C[C@@](CC)(C[NH3+])OCCO ZINC000233843559 642702659 /nfs/dbraw/zinc/70/26/59/642702659.db2.gz GAVFFPDLUYYBMP-MNOVXSKESA-N 1 0 203.326 1.539 10 0 BDAERO CCCCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861660 642736056 /nfs/dbraw/zinc/73/60/56/642736056.db2.gz VHIYBGUNVZQWGI-GFCCVEGCSA-N 1 0 241.379 1.912 10 0 BDAERO COc1cc2c(c(OC)c1)[C@@H]([NH3+])[C@@H](C)O2 ZINC000068875169 642805879 /nfs/dbraw/zinc/80/58/79/642805879.db2.gz LPYMPWNCZSNXQP-KBUNVGBDSA-N 1 0 209.245 1.485 10 0 BDAERO [NH3+][C@H](CCO)c1ccc2ncccc2c1 ZINC000069050873 642822960 /nfs/dbraw/zinc/82/29/60/642822960.db2.gz DARYKJYXTYGLPD-LLVKDONJSA-N 1 0 202.257 1.617 10 0 BDAERO CC[C@H](O)CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000252584289 642890845 /nfs/dbraw/zinc/89/08/45/642890845.db2.gz ZVSLJPWMLFJYDJ-NEPJUHHUSA-N 1 0 214.353 1.173 10 0 BDAERO O=C1C[C@H]([NH2+][C@H]2COc3ccccc32)CCCN1 ZINC000070529510 643033903 /nfs/dbraw/zinc/03/39/03/643033903.db2.gz QOVHCFHGCYAGRG-PWSUYJOCSA-N 1 0 246.310 1.378 10 0 BDAERO CC(C)[NH2+]CCC(=O)N[C@H]1COc2ccccc21 ZINC000070530462 643034246 /nfs/dbraw/zinc/03/42/46/643034246.db2.gz UAIYWZKKOKJSSC-LBPRGKRZSA-N 1 0 248.326 1.624 10 0 BDAERO Cc1cnn([C@H]2CCC[N@H+](Cn3cnnc3)C2)c1 ZINC000182592194 643040658 /nfs/dbraw/zinc/04/06/58/643040658.db2.gz JTBWJPGVTHGLGT-LBPRGKRZSA-N 1 0 246.318 1.078 10 0 BDAERO Cc1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)no1 ZINC000090254627 643086273 /nfs/dbraw/zinc/08/62/73/643086273.db2.gz LSZZGLDIVVACJO-SECBINFHSA-N 1 0 248.286 1.575 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1c1nc(CC2CCC2)no1 ZINC000304593226 643129717 /nfs/dbraw/zinc/12/97/17/643129717.db2.gz LIJGWPOPXDIGAA-WPRPVWTQSA-N 1 0 221.304 1.878 10 0 BDAERO CC[C@H](c1cccnc1)N(C)C(=O)C[NH2+]C ZINC000071747138 643171799 /nfs/dbraw/zinc/17/17/99/643171799.db2.gz NILFLTGBXPSEJQ-LLVKDONJSA-N 1 0 221.304 1.211 10 0 BDAERO CS/C=C/C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000306531247 643177577 /nfs/dbraw/zinc/17/75/77/643177577.db2.gz FHXVZKDBSZQIFW-KSOOHAFHSA-N 1 0 214.334 1.120 10 0 BDAERO C[C@@H]1CN(CC(F)(F)C(F)F)C[C@@H]1[NH3+] ZINC000306649821 643209521 /nfs/dbraw/zinc/20/95/21/643209521.db2.gz CWSDCQGDBLACMU-RITPCOANSA-N 1 0 214.206 1.166 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CSC1(C)C ZINC000306950222 643299416 /nfs/dbraw/zinc/29/94/16/643299416.db2.gz YDSVYWFLBZATAV-IVZWLZJFSA-N 1 0 214.378 1.611 10 0 BDAERO CC1(C)C[C@]2(CO1)[NH2+]CC1(CCC1)CO2 ZINC000757142082 643301334 /nfs/dbraw/zinc/30/13/34/643301334.db2.gz LPVIUEWWFDXRLV-LBPRGKRZSA-N 1 0 211.305 1.672 10 0 BDAERO CC(C)[C@H]1C[NH2+][C@@]2(COC(C)(C)C2)OC1 ZINC000757141950 643304052 /nfs/dbraw/zinc/30/40/52/643304052.db2.gz CRTXUEOVPGCCHL-CMPLNLGQSA-N 1 0 213.321 1.774 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000306484142 643328764 /nfs/dbraw/zinc/32/87/64/643328764.db2.gz NCCLRZFJSISAPL-GJMOJQLCSA-N 1 0 224.131 1.947 10 0 BDAERO CC[C@H](C)c1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000082561147 643342333 /nfs/dbraw/zinc/34/23/33/643342333.db2.gz PWOJKVOPZPBXFI-DTWKUNHWSA-N 1 0 209.293 1.878 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ncnc2ccccc21 ZINC000082592584 643351845 /nfs/dbraw/zinc/35/18/45/643351845.db2.gz NNBHYCZETFFDQK-SECBINFHSA-N 1 0 216.288 1.413 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ncccc1Br ZINC000082592604 643352107 /nfs/dbraw/zinc/35/21/07/643352107.db2.gz GLAHFNYCHKWKJH-SSDOTTSWSA-N 1 0 244.136 1.628 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN[C@@H]1c1cccc(C=O)c1 ZINC000757211082 643371388 /nfs/dbraw/zinc/37/13/88/643371388.db2.gz FYCKVCJQZMIGGO-ICCXJUOJSA-N 1 0 218.300 1.497 10 0 BDAERO COC(=O)[C@](C)([NH3+])C[C@@H](C)n1ccc(C)n1 ZINC000082800582 643382822 /nfs/dbraw/zinc/38/28/22/643382822.db2.gz UDNJZWONWVSYJF-MWLCHTKSSA-N 1 0 225.292 1.033 10 0 BDAERO C[C@H]1CC(C)(C)C[C@](C[NH3+])(OCCO)C1 ZINC000235595614 643442449 /nfs/dbraw/zinc/44/24/49/643442449.db2.gz TZVJQZIIGGXGBJ-CMPLNLGQSA-N 1 0 215.337 1.539 10 0 BDAERO C[C@@H]([NH3+])Cc1nc(CCC(C)(C)C)no1 ZINC000300951037 643449102 /nfs/dbraw/zinc/44/91/02/643449102.db2.gz XFVZGXHGCJTEKE-MRVPVSSYSA-N 1 0 211.309 1.938 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000336762231 643460960 /nfs/dbraw/zinc/46/09/60/643460960.db2.gz NZXWMEYIHHGTGL-NRPADANISA-N 1 0 209.293 1.146 10 0 BDAERO CC(C)CNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000084301192 643657202 /nfs/dbraw/zinc/65/72/02/643657202.db2.gz OXFJGEKMVGKRHM-QWRGUYRKSA-N 1 0 212.337 1.524 10 0 BDAERO CCCc1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084305507 643657280 /nfs/dbraw/zinc/65/72/80/643657280.db2.gz YNEYDTHSGLRHNS-IUCAKERBSA-N 1 0 209.293 1.865 10 0 BDAERO CC(C)CNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301190 643658493 /nfs/dbraw/zinc/65/84/93/643658493.db2.gz OXFJGEKMVGKRHM-WDEREUQCSA-N 1 0 212.337 1.524 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000084309192 643658526 /nfs/dbraw/zinc/65/85/26/643658526.db2.gz UFOVVXNUTROGJP-WDEREUQCSA-N 1 0 212.337 1.618 10 0 BDAERO C[C@]([NH3+])(CC(N)=O)c1ccc(Cl)s1 ZINC000084399697 643661957 /nfs/dbraw/zinc/66/19/57/643661957.db2.gz IGDUPANHDLJVMD-QMMMGPOBSA-N 1 0 218.709 1.451 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc([C@@H]2CC[C@H]([NH3+])C2)n1 ZINC000085008031 643677629 /nfs/dbraw/zinc/67/76/29/643677629.db2.gz NCDSYJBNEQGAAF-HXFLIBJXSA-N 1 0 207.277 1.788 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)Nc2nccs2)C1 ZINC000085008842 643678971 /nfs/dbraw/zinc/67/89/71/643678971.db2.gz BMWKZBNRXKOFGJ-NKWVEPMBSA-N 1 0 211.290 1.209 10 0 BDAERO CC[C@H](C)c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000085617389 643763331 /nfs/dbraw/zinc/76/33/31/643763331.db2.gz RYDXYPQZKOIAJU-IUCAKERBSA-N 1 0 225.292 1.114 10 0 BDAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035188356 643913647 /nfs/dbraw/zinc/91/36/47/643913647.db2.gz KPKYZSGRHDNDTJ-VHSXEESVSA-N 1 0 230.352 1.040 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035188360 643914374 /nfs/dbraw/zinc/91/43/74/643914374.db2.gz KSBHYIPABOBGOV-VIFPVBQESA-N 1 0 230.352 1.040 10 0 BDAERO Cc1ncccc1-c1nc([C@@H](C)C[NH3+])no1 ZINC000087123561 644478197 /nfs/dbraw/zinc/47/81/97/644478197.db2.gz FXWBUFYXGDWEHD-ZETCQYMHSA-N 1 0 218.260 1.502 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1cc(F)cc(F)c1 ZINC000685946272 644518127 /nfs/dbraw/zinc/51/81/27/644518127.db2.gz MYXOOSMZRQVCAB-NWDGAFQWSA-N 1 0 226.270 1.759 10 0 BDAERO c1cc2c(s1)CCO[C@H]2C[NH2+][C@H]1CCOC1 ZINC000088736705 644528458 /nfs/dbraw/zinc/52/84/58/644528458.db2.gz UVNAOAXGSQQEFS-ONGXEEELSA-N 1 0 239.340 1.740 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NCc1ccccn1 ZINC000089386644 644548384 /nfs/dbraw/zinc/54/83/84/644548384.db2.gz RWKHREAMTBKPAJ-WCQYABFASA-N 1 0 247.342 1.463 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000089430880 644549754 /nfs/dbraw/zinc/54/97/54/644549754.db2.gz VGJMMFOIBADMHF-RKDXNWHRSA-N 1 0 245.286 1.369 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000089430643 644549930 /nfs/dbraw/zinc/54/99/30/644549930.db2.gz VVYGCCHAUQWKJH-NXEZZACHSA-N 1 0 244.298 1.974 10 0 BDAERO C[C@H](O)CN1CC[N@H+](C[Si](C)(C)C)C[C@@H]1C ZINC000246268061 644577165 /nfs/dbraw/zinc/57/71/65/644577165.db2.gz QEXWHRFRSQDRER-RYUDHWBXSA-N 1 0 244.455 1.251 10 0 BDAERO CC(C)(C)Cc1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000091295119 644622706 /nfs/dbraw/zinc/62/27/06/644622706.db2.gz RPJMSYGDHLUIJG-SECBINFHSA-N 1 0 239.319 1.189 10 0 BDAERO [NH3+]C1CC(CNC(=O)c2cccc(F)c2F)C1 ZINC000091525761 644630319 /nfs/dbraw/zinc/63/03/19/644630319.db2.gz YFTVRUFGIZAYNY-UHFFFAOYSA-N 1 0 240.253 1.432 10 0 BDAERO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCC([NH3+])CC1 ZINC000250382110 644756511 /nfs/dbraw/zinc/75/65/11/644756511.db2.gz JLFBJRWRRNOTDA-XWCWTXAISA-N 1 0 236.359 1.761 10 0 BDAERO CC(C)[C@H]1C[NH2+]CCN1C[C@H]1CCCO1 ZINC000251435391 644804089 /nfs/dbraw/zinc/80/40/89/644804089.db2.gz TZANCNHNADOYSP-VXGBXAGGSA-N 1 0 212.337 1.095 10 0 BDAERO C[C@@H]1C[N@H+](CCC2OCCCO2)C[C@H]1N(C)C ZINC000251534066 644808148 /nfs/dbraw/zinc/80/81/48/644808148.db2.gz ALSHOHCXHUZQGX-VXGBXAGGSA-N 1 0 242.363 1.021 10 0 BDAERO C[C@H](C1CC1)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251626713 644813848 /nfs/dbraw/zinc/81/38/48/644813848.db2.gz QWSVKDSGWRYJJJ-YPMHNXCESA-N 1 0 208.349 1.955 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc([C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000252140110 644836291 /nfs/dbraw/zinc/83/62/91/644836291.db2.gz NCDSYJBNEQGAAF-XAVMHZPKSA-N 1 0 207.277 1.788 10 0 BDAERO C[C@H]1CN(c2cc(F)ncn2)C[C@H]1[NH+](C)C ZINC000252722666 644891142 /nfs/dbraw/zinc/89/11/42/644891142.db2.gz RGXHIVGOMGTXSW-DTWKUNHWSA-N 1 0 224.283 1.002 10 0 BDAERO [NH3+][C@@H](Cc1nc(CC2CCC2)no1)C1CC1 ZINC000304665083 644923820 /nfs/dbraw/zinc/92/38/20/644923820.db2.gz WQNAWUWSRFUNBM-JTQLQIEISA-N 1 0 221.304 1.692 10 0 BDAERO C(c1noc([C@@H]2C[NH2+]CCO2)n1)C1CCC1 ZINC000304683699 644925256 /nfs/dbraw/zinc/92/52/56/644925256.db2.gz YVURAUNVLMUQEZ-VIFPVBQESA-N 1 0 223.276 1.073 10 0 BDAERO C[C@@H]([NH3+])C1CCN(c2cncc(Cl)n2)CC1 ZINC000126482079 645794397 /nfs/dbraw/zinc/79/43/97/645794397.db2.gz JSUZFTYLKQQAGE-MRVPVSSYSA-N 1 0 240.738 1.694 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCCCCO ZINC000300404206 645897246 /nfs/dbraw/zinc/89/72/46/645897246.db2.gz GXSUYHQUAPVPND-KGLIPLIRSA-N 1 0 240.391 1.708 10 0 BDAERO C[C@H](C[NH3+])c1noc(Cc2cccnc2)n1 ZINC000721371946 711647430 /nfs/dbraw/zinc/64/74/30/711647430.db2.gz XBUZQDKREZZNAA-MRVPVSSYSA-N 1 0 218.260 1.118 10 0 BDAERO OCC[C@H]([NH2+][C@@H]1CCC[C@H]1O)C1CCCC1 ZINC000725109403 711651512 /nfs/dbraw/zinc/65/15/12/711651512.db2.gz AEUMSBWUIJZRQF-YNEHKIRRSA-N 1 0 227.348 1.431 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(Cl)nc1 ZINC000309411398 711680037 /nfs/dbraw/zinc/68/00/37/711680037.db2.gz IPYQYPIOKXWPTA-IONNQARKSA-N 1 0 239.706 1.274 10 0 BDAERO CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](C)C[C@@H](O)C2)C1 ZINC000721904111 711813490 /nfs/dbraw/zinc/81/34/90/711813490.db2.gz OCWLLUWNBBHNMO-KKOKHZNYSA-N 1 0 213.321 1.114 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccnc(Cl)c1 ZINC000700956298 712010542 /nfs/dbraw/zinc/01/05/42/712010542.db2.gz GBRAGCNPLBVCJL-IONNQARKSA-N 1 0 239.706 1.297 10 0 BDAERO CSC1CC([NH2+][C@H](C)C[C@@H]2CCC(=O)N2)C1 ZINC000708281529 712185356 /nfs/dbraw/zinc/18/53/56/712185356.db2.gz GVNQZMDNDNRXNR-MFQSTILNSA-N 1 0 242.388 1.527 10 0 BDAERO COC1(OC)CC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000710994789 712273629 /nfs/dbraw/zinc/27/36/29/712273629.db2.gz LEUNZQIZTHOBJT-VHSXEESVSA-N 1 0 231.336 1.135 10 0 BDAERO CCCc1noc([C@@H]2C[NH2+]CC2(C)C)n1 ZINC000711069745 712278425 /nfs/dbraw/zinc/27/84/25/712278425.db2.gz DQLHQPJXSRTDPJ-QMMMGPOBSA-N 1 0 209.293 1.735 10 0 BDAERO O[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)C1 ZINC000711569064 712311048 /nfs/dbraw/zinc/31/10/48/712311048.db2.gz YBLYLHYXVCPGNF-WUHRBBMRSA-N 1 0 241.400 1.832 10 0 BDAERO C[C@H]([NH3+])CN(C)c1ccnc2cccnc21 ZINC000379195406 712370737 /nfs/dbraw/zinc/37/07/37/712370737.db2.gz FPTGFZIRXWFAED-VIFPVBQESA-N 1 0 216.288 1.413 10 0 BDAERO CN(C/C=C\Cl)[C@H]1CCC[NH2+]CC1 ZINC000379360687 712376226 /nfs/dbraw/zinc/37/62/26/712376226.db2.gz BMVWICPTLJBTKP-NWPZZWLHSA-N 1 0 202.729 1.813 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)n1 ZINC000716453762 712385176 /nfs/dbraw/zinc/38/51/76/712385176.db2.gz VUKNKHVXADFFRI-SGIHWFKDSA-N 1 0 221.304 1.591 10 0 BDAERO C[C@]1(C[NH2+]CCn2cncn2)CCCS1 ZINC000379781767 712398815 /nfs/dbraw/zinc/39/88/15/712398815.db2.gz GHMCQIDBKDLKMI-SNVBAGLBSA-N 1 0 226.349 1.153 10 0 BDAERO CC1(C)CC[C@@H](C[N@@H+]2CC[C@H](CCO)C2)OC1 ZINC000713571829 712465718 /nfs/dbraw/zinc/46/57/18/712465718.db2.gz VMOKZSBNWGVVDT-OLZOCXBDSA-N 1 0 241.375 1.896 10 0 BDAERO CC(C)CC[C@H](C)NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000713806975 712472867 /nfs/dbraw/zinc/47/28/67/712472867.db2.gz XBGWIWRUOZJXGK-SDDRHHMPSA-N 1 0 242.363 1.291 10 0 BDAERO COCC1CC([NH2+]Cc2snnc2C)C1 ZINC000713952754 712474624 /nfs/dbraw/zinc/47/46/24/712474624.db2.gz KONFYINECYAOKA-UHFFFAOYSA-N 1 0 227.333 1.361 10 0 BDAERO COCC1CC([NH2+]Cc2cnc(OC)s2)C1 ZINC000713931379 712473818 /nfs/dbraw/zinc/47/38/18/712473818.db2.gz RZFWBDZPNQCOMU-UHFFFAOYSA-N 1 0 242.344 1.666 10 0 BDAERO CC(C)c1cc(NC[C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000715073352 712506176 /nfs/dbraw/zinc/50/61/76/712506176.db2.gz MFWWIDPMHVOCAF-MGCOHNPYSA-N 1 0 220.320 1.749 10 0 BDAERO CC(C)c1nsc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715132916 712513779 /nfs/dbraw/zinc/51/37/79/712513779.db2.gz SKICFJCKMJQPAP-ZKCHVHJHSA-N 1 0 226.349 1.811 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715839215 712535517 /nfs/dbraw/zinc/53/55/17/712535517.db2.gz UDGJNDYNWREWIU-AEJSXWLSSA-N 1 0 208.309 1.654 10 0 BDAERO CC1(C)C[C@H]([NH2+]C2CC(C(N)=O)C2)C(C)(C)O1 ZINC000716684613 712570097 /nfs/dbraw/zinc/57/00/97/712570097.db2.gz BVRQBTDOBVAKBY-RTBKNWGFSA-N 1 0 240.347 1.186 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221.279 1.681 10 0 BDAERO Cc1nn(C)c(C[NH2+][C@H]2CCO[C@H]2C)c1Cl ZINC000134543016 711517716 /nfs/dbraw/zinc/51/77/16/711517716.db2.gz CSSXJNGCKMQBRZ-IUCAKERBSA-N 1 0 243.738 1.649 10 0 BDAERO Cc1cc(C)nc(CN2CCC[C@H]2C[NH3+])c1 ZINC000723613584 711525893 /nfs/dbraw/zinc/52/58/93/711525893.db2.gz FHKKCMSIZCYHHM-ZDUSSCGKSA-N 1 0 219.332 1.622 10 0 BDAERO OC1CC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723650030 711529895 /nfs/dbraw/zinc/52/98/95/711529895.db2.gz GLUAIWJBBYZWTJ-DEULPLRUSA-N 1 0 239.359 1.552 10 0 BDAERO C[C@H]1COC[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000724303472 711573920 /nfs/dbraw/zinc/57/39/20/711573920.db2.gz MGJQQPFTNGWMHG-SBFPOUOMSA-N 1 0 227.348 1.815 10 0 BDAERO CC(C)CNC(=[NH2+])NCC1C[C@H](C)O[C@@H](C)C1 ZINC000724486783 711584526 /nfs/dbraw/zinc/58/45/26/711584526.db2.gz WTBFQVLGKWXGOW-QWRGUYRKSA-N 1 0 241.379 1.960 10 0 BDAERO CN(c1ccccn1)C1(C[NH3+])CCOCC1 ZINC000725018675 711642960 /nfs/dbraw/zinc/64/29/60/711642960.db2.gz RRCIVVWXWQEPBT-UHFFFAOYSA-N 1 0 221.304 1.026 10 0 BDAERO Cc1coc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000718142778 711645365 /nfs/dbraw/zinc/64/53/65/711645365.db2.gz DFRJMEUGTYGALG-WDEREUQCSA-N 1 0 209.289 1.981 10 0 BDAERO [NH3+]CCCCCCNc1ccc2nccnc2n1 ZINC000236172529 711672416 /nfs/dbraw/zinc/67/24/16/711672416.db2.gz FZEJUDCQWULXAM-UHFFFAOYSA-N 1 0 245.330 1.956 10 0 BDAERO CCN1CCC[C@@H]([NH2+][C@@H]2COCC2(C)C)C1 ZINC000313148568 711713858 /nfs/dbraw/zinc/71/38/58/711713858.db2.gz TZQWSAYOFHGAML-VXGBXAGGSA-N 1 0 226.364 1.485 10 0 BDAERO CCC1(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000227427462 711729749 /nfs/dbraw/zinc/72/97/49/711729749.db2.gz RIOBVJAYQYSLQG-MNOVXSKESA-N 1 0 224.348 1.668 10 0 BDAERO C[C@H](C[NH3+])c1noc(-c2ccc3c(c2)CCO3)n1 ZINC000054158498 711766121 /nfs/dbraw/zinc/76/61/21/711766121.db2.gz KZMDRKSURCBDGD-MRVPVSSYSA-N 1 0 245.282 1.734 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)nn1C ZINC000340390037 711775158 /nfs/dbraw/zinc/77/51/58/711775158.db2.gz GYLSUBOZFXUUFR-LPEHRKFASA-N 1 0 211.309 1.148 10 0 BDAERO CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)C1 ZINC000721900757 711812849 /nfs/dbraw/zinc/81/28/49/711812849.db2.gz FNPMXYRXDUTGAX-ODXJTPSBSA-N 1 0 239.359 1.504 10 0 BDAERO CCC[C@H]1C[C@H]1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000225542814 711829172 /nfs/dbraw/zinc/82/91/72/711829172.db2.gz IAEZHGLOXSUOJW-YNEHKIRRSA-N 1 0 232.327 1.991 10 0 BDAERO CN(C(=O)c1ccc[nH]c1=O)[C@H]1CCC[NH2+]CC1 ZINC000226458286 711831083 /nfs/dbraw/zinc/83/10/83/711831083.db2.gz OHLZNDSKGHFVDH-JTQLQIEISA-N 1 0 249.314 1.001 10 0 BDAERO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2CCCO)C1 ZINC000722015476 711899120 /nfs/dbraw/zinc/89/91/20/711899120.db2.gz RFYXGNKCWRQNKK-UPJWGTAASA-N 1 0 227.348 1.648 10 0 BDAERO CC1(C)C[NH2+]C[C@H]1Nc1cncc(Cl)n1 ZINC000721944763 711945430 /nfs/dbraw/zinc/94/54/30/711945430.db2.gz UJUXZTHJVYYLEE-SSDOTTSWSA-N 1 0 226.711 1.540 10 0 BDAERO C[C@@H]1CN(Cc2ncc(Cl)n2C)C[C@@H]1C[NH3+] ZINC000708894350 711974800 /nfs/dbraw/zinc/97/48/00/711974800.db2.gz 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712192920 /nfs/dbraw/zinc/19/29/20/712192920.db2.gz RDHSOZUIMIFZLV-QJPTWQEYSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@H]1CO ZINC000708640334 712195747 /nfs/dbraw/zinc/19/57/47/712195747.db2.gz DZLAJRJMUCPYBP-FVCCEPFGSA-N 1 0 227.348 1.098 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@H]1CO ZINC000708688027 712196776 /nfs/dbraw/zinc/19/67/76/712196776.db2.gz ZBVINPPSQMSTOZ-WOPDTQHZSA-N 1 0 227.348 1.362 10 0 BDAERO COc1cc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)sn1 ZINC000708855497 712201533 /nfs/dbraw/zinc/20/15/33/712201533.db2.gz URXXKDOHXKBGJQ-BDAKNGLRSA-N 1 0 241.360 1.178 10 0 BDAERO C[C@H]1CN(Cc2cnc(Cl)s2)C[C@@H]1C[NH3+] ZINC000708860809 712201632 /nfs/dbraw/zinc/20/16/32/712201632.db2.gz DFZPZRCUANBZFZ-YUMQZZPRSA-N 1 0 245.779 1.823 10 0 BDAERO CC(C)c1cnc(CN2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000708874099 712201986 /nfs/dbraw/zinc/20/19/86/712201986.db2.gz CQRDVBPAGNVFIW-QWRGUYRKSA-N 1 0 237.347 1.825 10 0 BDAERO 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241.375 1.942 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000713996784 712477130 /nfs/dbraw/zinc/47/71/30/712477130.db2.gz YTNMSRGTSXDTIO-GCZXYKMCSA-N 1 0 249.358 1.812 10 0 BDAERO CC1(C)C[C@@H]1c1noc([C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714057439 712477722 /nfs/dbraw/zinc/47/77/22/712477722.db2.gz GPIMSJLKJWDMMG-HRDYMLBCSA-N 1 0 237.303 1.414 10 0 BDAERO [NH3+]C[C@H]1C[C@@H](c2nc(-c3ccoc3)no2)CO1 ZINC000714057722 712477909 /nfs/dbraw/zinc/47/79/09/712477909.db2.gz HPKYAAHCXSBUPB-RKDXNWHRSA-N 1 0 235.243 1.161 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc([C@@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714078011 712477945 /nfs/dbraw/zinc/47/79/45/712477945.db2.gz UGJIAPUMDXMABZ-XAVMHZPKSA-N 1 0 223.276 1.024 10 0 BDAERO CC[C@H](C)c1noc([C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000714059619 712478068 /nfs/dbraw/zinc/47/80/68/712478068.db2.gz NTTHKSPRDVLECH-YIZRAAEISA-N 1 0 225.292 1.414 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]1c1nc(CC2CCC2)no1 ZINC000714811864 712498500 /nfs/dbraw/zinc/49/85/00/712498500.db2.gz 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10 0 BDAERO C[C@H](NC(=O)CC[NH2+]C(C)(C)C)[C@@H]1CCCO1 ZINC000037633300 712706765 /nfs/dbraw/zinc/70/67/65/712706765.db2.gz SJFLTEZBHNCEPK-QWRGUYRKSA-N 1 0 242.363 1.448 10 0 BDAERO C[C@@H](NC(=O)CC[NH2+]C(C)(C)C)[C@@H]1CCCO1 ZINC000037633302 712706800 /nfs/dbraw/zinc/70/68/00/712706800.db2.gz SJFLTEZBHNCEPK-MNOVXSKESA-N 1 0 242.363 1.448 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCC(C)(F)F ZINC000718349924 712756358 /nfs/dbraw/zinc/75/63/58/712756358.db2.gz CFYMMZFCXRZPBL-RKDXNWHRSA-N 1 0 234.290 1.679 10 0 BDAERO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H]1CCCO1 ZINC000037871019 712777960 /nfs/dbraw/zinc/77/79/60/712777960.db2.gz VLNZNZBWMOZIBM-XBFCOCLRSA-N 1 0 235.327 1.877 10 0 BDAERO COCC(C)(C)CCN[C@@H]1CC[NH2+]C1 ZINC000718768692 712781785 /nfs/dbraw/zinc/78/17/85/712781785.db2.gz ISWWFNNZYRCNPO-SNVBAGLBSA-N 1 0 200.326 1.001 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1c1ccnc2ncccc12 ZINC000718930573 712788806 /nfs/dbraw/zinc/78/88/06/712788806.db2.gz PCWKNEBZABWYJJ-MWLCHTKSSA-N 1 0 228.299 1.556 10 0 BDAERO C(NC1CC[NH2+]CC1)c1nc2c(s1)CCC2 ZINC000719560216 712809436 /nfs/dbraw/zinc/80/94/36/712809436.db2.gz LREMUXOLJUTEDU-UHFFFAOYSA-N 1 0 237.372 1.473 10 0 BDAERO C[C@H]1[C@@H]([NH2+]CCc2ccccc2)CCN1C ZINC000719576778 712811585 /nfs/dbraw/zinc/81/15/85/712811585.db2.gz BNXHRSOMALOOEB-JSGCOSHPSA-N 1 0 218.344 1.911 10 0 BDAERO C[C@@H]1[C@H]([NH2+]CCc2ccccc2)CCN1C ZINC000719576780 712811991 /nfs/dbraw/zinc/81/19/91/712811991.db2.gz BNXHRSOMALOOEB-TZMCWYRMSA-N 1 0 218.344 1.911 10 0 BDAERO C[C@H](CCO)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000720282278 712830051 /nfs/dbraw/zinc/83/00/51/712830051.db2.gz UZGBAHYYBAEQNJ-IJLUTSLNSA-N 1 0 213.321 1.306 10 0 BDAERO COC(C)(C)[C@H](C)[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000720282327 712830549 /nfs/dbraw/zinc/83/05/49/712830549.db2.gz PTQCPZRRMPORLI-VIFPVBQESA-N 1 0 239.319 1.394 10 0 BDAERO c1cc(C[NH2+]C[C@]23CCC[C@H]2OCC3)no1 ZINC000720410770 712840482 /nfs/dbraw/zinc/84/04/82/712840482.db2.gz VIPGYIHFDIEURD-VXGBXAGGSA-N 1 0 222.288 1.723 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000720418727 712841295 /nfs/dbraw/zinc/84/12/95/712841295.db2.gz QGUAPPBOTSCDIW-GHMZBOCLSA-N 1 0 201.310 1.258 10 0 BDAERO CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC(F)(F)C1 ZINC000720470446 712845588 /nfs/dbraw/zinc/84/55/88/712845588.db2.gz CQTGFPBLQZGUMK-DTWKUNHWSA-N 1 0 246.301 1.665 10 0 BDAERO COC[C@H](C)[NH2+]Cc1cc(C)nnc1C ZINC000720593111 712855953 /nfs/dbraw/zinc/85/59/53/712855953.db2.gz UMWXYCLRGXAHFY-VIFPVBQESA-N 1 0 209.293 1.218 10 0 BDAERO C[C@H]([NH2+][C@@H]1C=CCCC1)c1cn(C)nn1 ZINC000720595763 712856389 /nfs/dbraw/zinc/85/63/89/712856389.db2.gz NBYIHJDCHQJROT-VHSXEESVSA-N 1 0 206.293 1.574 10 0 BDAERO C[NH2+]CCN(c1ncnc2c1CCC2)C(C)C ZINC000720792171 712865840 /nfs/dbraw/zinc/86/58/40/712865840.db2.gz VBEXJFMXNYRXQD-UHFFFAOYSA-N 1 0 234.347 1.400 10 0 BDAERO [NH3+]C[C@H]1CN(c2ncccn2)C[C@H]1C(F)(F)F ZINC000720869254 712871845 /nfs/dbraw/zinc/87/18/45/712871845.db2.gz DWEJCSLJZHNBHU-JGVFFNPUSA-N 1 0 246.236 1.050 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@H]2CCO[C@@H]21 ZINC000720892614 712874108 /nfs/dbraw/zinc/87/41/08/712874108.db2.gz JGTVTKGEEWAMKP-OOCWMUITSA-N 1 0 225.332 1.160 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720891583 712874541 /nfs/dbraw/zinc/87/45/41/712874541.db2.gz PGKZSXKAXBMMTG-XVIXHAIJSA-N 1 0 239.359 1.837 10 0 BDAERO CC(C)(O)C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720890645 712875230 /nfs/dbraw/zinc/87/52/30/712875230.db2.gz CEUYLUVJXKCEPZ-DCAQKATOSA-N 1 0 213.321 1.305 10 0 BDAERO COCC1([NH2+]CCc2ccccc2)CC1 ZINC000380326420 712886903 /nfs/dbraw/zinc/88/69/03/712886903.db2.gz MFSQNEKTILHSDD-UHFFFAOYSA-N 1 0 205.301 1.998 10 0 BDAERO COC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H](OC)C1 ZINC000721110604 712890492 /nfs/dbraw/zinc/89/04/92/712890492.db2.gz JPBBTIZXLPLDDK-TUAOUCFPSA-N 1 0 241.331 1.439 10 0 BDAERO CC[C@@H](C(=O)[O-])[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000700756626 968982558 /nfs/dbraw/zinc/98/25/58/968982558.db2.gz KCWQUPIYCHCCLP-LBPRGKRZSA-N 1 0 242.363 1.513 10 0 BDAERO CCN1CC[C@@H]([NH3+])C12CCC(F)(F)CC2 ZINC000685955194 538900779 /nfs/dbraw/zinc/90/07/79/538900779.db2.gz VUJVQTZWOPKQLX-SECBINFHSA-N 1 0 218.291 1.987 10 0 BDAERO CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1S(=O)(=O)C(C)C ZINC000685955245 538900948 /nfs/dbraw/zinc/90/09/48/538900948.db2.gz WRKLQJZBSDRFQN-IJLUTSLNSA-N 1 0 247.404 1.976 10 0 BDAERO Cc1cc(C)n(-c2nc3sccn3c2C[NH3+])n1 ZINC000035430395 177920458 /nfs/dbraw/zinc/92/04/58/177920458.db2.gz WJTAASNHNQICJZ-UHFFFAOYSA-N 1 0 247.327 1.657 10 0 BDAERO CCC[NH2+]CC[C@H](CO)C1CCOCC1 ZINC000685963730 538910473 /nfs/dbraw/zinc/91/04/73/538910473.db2.gz WHJCBDWPAOYBOT-GFCCVEGCSA-N 1 0 215.337 1.411 10 0 BDAERO [NH3+]Cc1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685958836 538906266 /nfs/dbraw/zinc/90/62/66/538906266.db2.gz GZYQIFCCQVZKPT-UHFFFAOYSA-N 1 0 226.494 1.762 10 0 BDAERO CCOCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960319 538907697 /nfs/dbraw/zinc/90/76/97/538907697.db2.gz FBJSOISMFSFBAI-UHFFFAOYSA-N 1 0 221.300 1.772 10 0 BDAERO CC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685962055 538909204 /nfs/dbraw/zinc/90/92/04/538909204.db2.gz SLZNAIGMPXAJOJ-LBPRGKRZSA-N 1 0 206.289 1.035 10 0 BDAERO c1ncc(-c2cnnn2C2CC[NH2+]CC2)s1 ZINC000685952188 538896418 /nfs/dbraw/zinc/89/64/18/538896418.db2.gz ZURHRDKVNSRGKH-UHFFFAOYSA-N 1 0 235.316 1.326 10 0 BDAERO c1csc(-c2cnnn2[C@@H]2CC[NH2+]C2)c1 ZINC000685952321 538896434 /nfs/dbraw/zinc/89/64/34/538896434.db2.gz FXPSMTGJQBJJBZ-MRVPVSSYSA-N 1 0 220.301 1.541 10 0 BDAERO C[NH2+][C@@H]1C[C@@H](C(C)C)CC[C@@H]1S(C)(=O)=O ZINC000685953089 538896688 /nfs/dbraw/zinc/89/66/88/538896688.db2.gz GABUKAKYZZWWFX-AXFHLTTASA-N 1 0 233.377 1.444 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)CC)[C@@H](C)C1 ZINC000685952665 538896832 /nfs/dbraw/zinc/89/68/32/538896832.db2.gz BLIUGYYZGXCAIT-HBNTYKKESA-N 1 0 233.377 1.588 10 0 BDAERO CCC[NH2+]CC[C@@H](CO)[C@H]1COC(C)(C)O1 ZINC000685963918 538910708 /nfs/dbraw/zinc/91/07/08/538910708.db2.gz ZLHKSYNUUBFHJC-WDEREUQCSA-N 1 0 231.336 1.136 10 0 BDAERO COc1ccc([C@H]2C[NH2+]C[C@]2(C)N)cc1F ZINC000685965581 538911925 /nfs/dbraw/zinc/91/19/25/538911925.db2.gz JZHVKEAUCVTFQU-SKDRFNHKSA-N 1 0 224.279 1.239 10 0 BDAERO COc1ccc(F)cc1[C@@H]1C[NH2+]C[C@]1(C)N ZINC000685965834 538912257 /nfs/dbraw/zinc/91/22/57/538912257.db2.gz VGLGFQHERKBIHX-JQWIXIFHSA-N 1 0 224.279 1.239 10 0 BDAERO CCC(CC)(C[NH3+])N1C(=O)c2ccccc2C1=O ZINC000111823231 168322585 /nfs/dbraw/zinc/32/25/85/168322585.db2.gz ICRUWZXYXDJCPC-UHFFFAOYSA-N 1 0 246.310 1.800 10 0 BDAERO CCC(CC)(C[NH3+])[N@H+](CCCOC)CCOC ZINC000042420941 168322647 /nfs/dbraw/zinc/32/26/47/168322647.db2.gz RUPFQEPVEQBNQI-UHFFFAOYSA-N 1 0 246.395 1.489 10 0 BDAERO [NH3+]CCN1CC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616612005 349469747 /nfs/dbraw/zinc/46/97/47/349469747.db2.gz LALZZWXZBKGNJF-CQSZACIVSA-N 1 0 241.338 1.983 10 0 BDAERO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[C@H]1OC ZINC000050372433 168323072 /nfs/dbraw/zinc/32/30/72/168323072.db2.gz POMSPDKEYXFEJK-WDEREUQCSA-N 1 0 242.363 1.435 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH3+])C[C@H]1F ZINC000306273174 398145963 /nfs/dbraw/zinc/14/59/63/398145963.db2.gz ZOZMDUIUTNXPHS-XLPZGREQSA-N 1 0 218.272 1.339 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000161581994 349475560 /nfs/dbraw/zinc/47/55/60/349475560.db2.gz HIFDHQOFHKQAJA-VIFPVBQESA-N 1 0 241.253 1.270 10 0 BDAERO CCC[C@@H](C[NH3+])[C@H](O)c1cncs1 ZINC000161778305 538918355 /nfs/dbraw/zinc/91/83/55/538918355.db2.gz DMCZWIIBUMSYQT-CBAPKCEASA-N 1 0 200.307 1.552 10 0 BDAERO Cc1nc(C[N@@H+]2CC[C@@H](CCO)C2)oc1C ZINC000161592473 349481084 /nfs/dbraw/zinc/48/10/84/349481084.db2.gz FUJJTWKSZMAWJY-NSHDSACASA-N 1 0 224.304 1.496 10 0 BDAERO CCC(CC)([NH2+]CCC[NH+](C)C)C(=O)[O-] ZINC000041765301 168330962 /nfs/dbraw/zinc/33/09/62/168330962.db2.gz CHYVVNKZHSHAQO-UHFFFAOYSA-N 1 0 216.325 1.171 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC1CCC(C)CC1 ZINC000063146455 349499492 /nfs/dbraw/zinc/49/94/92/349499492.db2.gz TUQPQHMFRMCTDB-HSOILSAZSA-N 1 0 212.337 1.537 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H]2CN(C)CCO2)c(C)[nH]1 ZINC000098113864 178022117 /nfs/dbraw/zinc/02/21/17/178022117.db2.gz DGWCUWZWVLJEOX-CYBMUJFWSA-N 1 0 237.347 1.052 10 0 BDAERO Cc1nc(CN2CCC2)sc1[C@@H](C)[NH3+] ZINC000307488660 398171406 /nfs/dbraw/zinc/17/14/06/398171406.db2.gz WTKGIJQPRVVULV-SSDOTTSWSA-N 1 0 211.334 1.677 10 0 BDAERO C[C@]1([C@@H]2CCC[NH2+]C2)NCCCS1 ZINC000575517203 398174259 /nfs/dbraw/zinc/17/42/59/398174259.db2.gz IKQVZBDQKBOORL-ZJUUUORDSA-N 1 0 200.351 1.429 10 0 BDAERO [NH3+]CCN1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616615337 398174382 /nfs/dbraw/zinc/17/43/82/398174382.db2.gz VUSSPNHPCFMXMP-CQSZACIVSA-N 1 0 234.343 1.665 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2O)on1 ZINC000044990902 178039759 /nfs/dbraw/zinc/03/97/59/178039759.db2.gz UAFVYWPWGKDRJC-WDEREUQCSA-N 1 0 210.277 1.376 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCCC[C@@H]2O)no1 ZINC000044724484 178040654 /nfs/dbraw/zinc/04/06/54/178040654.db2.gz YLSPAOGGLYYLCO-RYUDHWBXSA-N 1 0 224.304 1.766 10 0 BDAERO Cc1cc(C[C@@H]2C[NH2+]CCC2=O)cs1 ZINC000306713978 398183592 /nfs/dbraw/zinc/18/35/92/398183592.db2.gz WEHKDLVSMLTLQV-SNVBAGLBSA-N 1 0 209.314 1.778 10 0 BDAERO Cc1cc(COC2CCC([NH3+])CC2)no1 ZINC000055142802 178048156 /nfs/dbraw/zinc/04/81/56/178048156.db2.gz DEOVLXRJLHRJTR-UHFFFAOYSA-N 1 0 210.277 1.770 10 0 BDAERO CCc1nc(C)cc(N2CC[C@@H]([NH3+])[C@@H](CC)C2)n1 ZINC000385458401 398164639 /nfs/dbraw/zinc/16/46/39/398164639.db2.gz SUESKIOCODAWHY-NWDGAFQWSA-N 1 0 248.374 1.911 10 0 BDAERO Cc1cc(Cl)ccc1N1C[C@@H](C[NH3+])CC1=O ZINC000019669525 178068040 /nfs/dbraw/zinc/06/80/40/178068040.db2.gz QDUAJCGRMLIZKC-SECBINFHSA-N 1 0 238.718 1.960 10 0 BDAERO Cc1cc(Cl)nc(N(C)[C@@H]2CC[NH2+]C2)n1 ZINC000095070534 178071890 /nfs/dbraw/zinc/07/18/90/178071890.db2.gz RMRRNIJUCOGAFA-MRVPVSSYSA-N 1 0 226.711 1.237 10 0 BDAERO Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CC1 ZINC000055029322 178091867 /nfs/dbraw/zinc/09/18/67/178091867.db2.gz KGXTYXFKJKUDIQ-GFCCVEGCSA-N 1 0 209.264 1.920 10 0 BDAERO Cc1cc(F)ccc1[C@H]([NH2+]C1CC1)C(N)=O ZINC000050579719 178092382 /nfs/dbraw/zinc/09/23/82/178092382.db2.gz ZJDBOJITEUVNQL-NSHDSACASA-N 1 0 222.263 1.413 10 0 BDAERO CC(C)CC(=O)N[C@H]1CCCCC[NH2+]C1 ZINC000536961445 398199949 /nfs/dbraw/zinc/19/99/49/398199949.db2.gz ZIWTUGNGHPLKHK-NSHDSACASA-N 1 0 212.337 1.681 10 0 BDAERO CC(C)C1CCC([C@H](O)[C@@H]([NH3+])CO)CC1 ZINC000379778914 398196668 /nfs/dbraw/zinc/19/66/68/398196668.db2.gz BKRAKUBEICBFAM-QQFIATSDSA-N 1 0 215.337 1.129 10 0 BDAERO Cn1cccc1[C@@]12CC[N@@H+](C3CC3)C[C@@H]1O2 ZINC000536960853 398200112 /nfs/dbraw/zinc/20/01/12/398200112.db2.gz UGPFQSGQUVHWSB-STQMWFEESA-N 1 0 218.300 1.487 10 0 BDAERO CCN(CC(F)F)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000386240181 398201077 /nfs/dbraw/zinc/20/10/77/398201077.db2.gz SKTBBEZNEPKFIS-BDAKNGLRSA-N 1 0 234.290 1.475 10 0 BDAERO CC1CCC(C[NH2+]C2COCCOC2)CC1 ZINC000380592943 398201511 /nfs/dbraw/zinc/20/15/11/398201511.db2.gz SPQFOAMVDDMUFD-UHFFFAOYSA-N 1 0 227.348 1.818 10 0 BDAERO CCn1nccc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000162685472 538924479 /nfs/dbraw/zinc/92/44/79/538924479.db2.gz NYWQLZCEOBXYFV-CMPLNLGQSA-N 1 0 223.320 1.296 10 0 BDAERO CCC1(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000380699490 398204696 /nfs/dbraw/zinc/20/46/96/398204696.db2.gz KQDBQHOLRFXGAC-LLVKDONJSA-N 1 0 224.348 1.777 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H]1CN(CC)CCO1)C1CC1 ZINC000162914256 538925729 /nfs/dbraw/zinc/92/57/29/538925729.db2.gz KDZMICSWSOKMLO-CHWSQXEVSA-N 1 0 226.364 1.485 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H](C)[C@H]1C ZINC000380737053 398206997 /nfs/dbraw/zinc/20/69/97/398206997.db2.gz KEKYKFLQKAQKAI-HBNTYKKESA-N 1 0 212.337 1.617 10 0 BDAERO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)no1 ZINC000054305498 178134953 /nfs/dbraw/zinc/13/49/53/178134953.db2.gz KSPYJTGWMFNAOC-SECBINFHSA-N 1 0 223.276 1.311 10 0 BDAERO CC(C)(C)COC(=O)N1CC[C@H]2C[NH2+][C@H]2C1 ZINC000261508331 398209014 /nfs/dbraw/zinc/20/90/14/398209014.db2.gz RLOYSVWUHHDAHV-UWVGGRQHSA-N 1 0 226.320 1.463 10 0 BDAERO Cc1cc(NC(=O)[C@@H](C[NH3+])c2ccccc2)n[nH]1 ZINC000104445874 178143144 /nfs/dbraw/zinc/14/31/44/178143144.db2.gz ILDASIVCYCJGQE-NSHDSACASA-N 1 0 244.298 1.399 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccccc2C)C1 ZINC000310153830 136220532 /nfs/dbraw/zinc/22/05/32/136220532.db2.gz PSSUBKVEFJJQCB-KBPBESRZSA-N 1 0 235.327 1.577 10 0 BDAERO Cc1cc(NC(=O)[C@@](C)([NH3+])C2CC2)no1 ZINC000037478752 178146468 /nfs/dbraw/zinc/14/64/68/178146468.db2.gz LCFHLDBJWDYFHA-JTQLQIEISA-N 1 0 209.249 1.049 10 0 BDAERO Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000070502653 178147646 /nfs/dbraw/zinc/14/76/46/178147646.db2.gz YNKXXXOUXYXWMN-DTWKUNHWSA-N 1 0 223.276 1.439 10 0 BDAERO Cc1cc(NC(=O)[C@H]([NH3+])CC(C)C)on1 ZINC000077558565 178147863 /nfs/dbraw/zinc/14/78/63/178147863.db2.gz QVSPAMPJCASHLK-MRVPVSSYSA-N 1 0 211.265 1.295 10 0 BDAERO Cc1cc(NCCCn2ccnc2)[nH+]cc1N ZINC000036245018 178159412 /nfs/dbraw/zinc/15/94/12/178159412.db2.gz XNENNXVBHLDVMI-UHFFFAOYSA-N 1 0 231.303 1.671 10 0 BDAERO CCCN(CC(F)F)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000387081861 398225065 /nfs/dbraw/zinc/22/50/65/398225065.db2.gz SUUJQALNQQWORV-ZJUUUORDSA-N 1 0 248.317 1.865 10 0 BDAERO C[N@@H+]1CCCOC[C@H]1c1ccc(CCO)cc1 ZINC000616648349 398221856 /nfs/dbraw/zinc/22/18/56/398221856.db2.gz FVNSEDSUIYESCW-AWEZNQCLSA-N 1 0 235.327 1.615 10 0 BDAERO Cc1cc(NN)[nH+]c(Nc2cccc(F)c2)n1 ZINC000057331393 178176906 /nfs/dbraw/zinc/17/69/06/178176906.db2.gz AJQBAEQPBLKJFH-UHFFFAOYSA-N 1 0 233.250 1.375 10 0 BDAERO CCN(CC(C)C)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000082920527 136222115 /nfs/dbraw/zinc/22/21/15/136222115.db2.gz DQRAIGWHHWMFAQ-GHMZBOCLSA-N 1 0 212.337 1.618 10 0 BDAERO Cc1cc(N[C@H]2CCC[N@@H+](C)C2)nc(Cl)n1 ZINC000052814468 178188716 /nfs/dbraw/zinc/18/87/16/178188716.db2.gz BKYCRYVSYPVUBM-VIFPVBQESA-N 1 0 240.738 1.945 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2cccnc2N)C1 ZINC000616660506 398223410 /nfs/dbraw/zinc/22/34/10/398223410.db2.gz NKYQXXXJJVFOOX-LLVKDONJSA-N 1 0 249.358 1.878 10 0 BDAERO 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Cc1cc([C@H](C)N2CC[C@@H]([NH3+])C2=O)c(C)o1 ZINC000044730700 178243993 /nfs/dbraw/zinc/24/39/93/178243993.db2.gz OGIMUMFWNOTZBN-GZMMTYOYSA-N 1 0 222.288 1.517 10 0 BDAERO CCC(CC)C[NH2+]CCc1nc(C)no1 ZINC000122096852 168360302 /nfs/dbraw/zinc/36/03/02/168360302.db2.gz SXSOTIUUODIEKZ-UHFFFAOYSA-N 1 0 211.309 1.946 10 0 BDAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)C1CC1 ZINC000165549636 136227423 /nfs/dbraw/zinc/22/74/23/136227423.db2.gz IQTSDHCODBIZOL-KWQFWETISA-N 1 0 220.320 1.810 10 0 BDAERO Cc1cc([C@H](O)[C@@H]2CCC[NH2+]2)ccc1F ZINC000032012159 178264175 /nfs/dbraw/zinc/26/41/75/178264175.db2.gz GRIFMZSIHLZGIF-RYUDHWBXSA-N 1 0 209.264 1.920 10 0 BDAERO Cc1ccc(CN[C@@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000400507108 398241268 /nfs/dbraw/zinc/24/12/68/398241268.db2.gz DPVFFJWEYWTLIX-QWRGUYRKSA-N 1 0 208.305 1.676 10 0 BDAERO Cc1ccc(CN[C@H](C)[C@H]2CC[NH2+]C2)o1 ZINC000400507106 398241339 /nfs/dbraw/zinc/24/13/39/398241339.db2.gz DPVFFJWEYWTLIX-MNOVXSKESA-N 1 0 208.305 1.676 10 0 BDAERO 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BDAERO COCCC[NH2+]CC1(CCOC)CCC1 ZINC000380344607 538989432 /nfs/dbraw/zinc/98/94/32/538989432.db2.gz STPVXOQAMQUIDV-UHFFFAOYSA-N 1 0 215.337 1.819 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cnn(C)c1 ZINC000044498681 538989805 /nfs/dbraw/zinc/98/98/05/538989805.db2.gz JKMZTPHLRBPNSG-DLOVCJGASA-N 1 0 223.320 1.374 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000380964824 538994197 /nfs/dbraw/zinc/99/41/97/538994197.db2.gz CIKGDTKJUGJGRF-NEPJUHHUSA-N 1 0 226.364 1.866 10 0 BDAERO Cc1c[nH+]ccc1N[C@H]1CCC[C@@H](O)C1 ZINC000379925276 538982403 /nfs/dbraw/zinc/98/24/03/538982403.db2.gz KWWZTOBWNOPEPJ-WDEREUQCSA-N 1 0 206.289 1.527 10 0 BDAERO C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000036785728 398292164 /nfs/dbraw/zinc/29/21/64/398292164.db2.gz MNJUSNCKCLTBQP-ONGXEEELSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108590399 398292169 /nfs/dbraw/zinc/29/21/69/398292169.db2.gz IEVRJXZCYYGZSN-VWYCJHECSA-N 1 0 225.336 1.036 10 0 BDAERO CC(C)n1cc(C[NH2+]CC[C@@H]2CCCO2)nn1 ZINC000380108650 538985506 /nfs/dbraw/zinc/98/55/06/538985506.db2.gz KGKBVGILUFFQJM-LBPRGKRZSA-N 1 0 238.335 1.518 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000193247334 539003730 /nfs/dbraw/zinc/00/37/30/539003730.db2.gz KPDGKVKQOUGEEM-WCQYABFASA-N 1 0 229.364 1.894 10 0 BDAERO CC[C@@H]1CCCN(CC(F)(F)CN)C1 ZINC000381646725 539005832 /nfs/dbraw/zinc/00/58/32/539005832.db2.gz YGDFASNQEAREBV-SECBINFHSA-N 1 0 206.280 1.702 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2csc(C)n2)C1 ZINC000381722939 539006250 /nfs/dbraw/zinc/00/62/50/539006250.db2.gz MDIZZEPLMVSBFI-SKDRFNHKSA-N 1 0 239.388 1.881 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)no1 ZINC000381716570 539006571 /nfs/dbraw/zinc/00/65/71/539006571.db2.gz LFWIXZBQXGVPKG-HBNTYKKESA-N 1 0 224.304 1.937 10 0 BDAERO C[C@H]1CC[N@H+](C[C@@H]2CSCCN2)C1 ZINC000127085015 342839202 /nfs/dbraw/zinc/83/92/02/342839202.db2.gz XIDQHZQGLWJQLZ-VHSXEESVSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@@H]1CC[C@H](NC(=[NH2+])NCc2ccccc2)CO1 ZINC000401531053 342835914 /nfs/dbraw/zinc/83/59/14/342835914.db2.gz WEODNRSNFUIKSY-YPMHNXCESA-N 1 0 247.342 1.868 10 0 BDAERO C[C@H]1CCC[N@@H+]1C[C@@H]1CSCCN1 ZINC000127072734 342835980 /nfs/dbraw/zinc/83/59/80/342835980.db2.gz BGWLVJPXINSVMK-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO CC1(C[NH2+][C@@H]2CCc3nccn3C2)CCC1 ZINC000381258945 538997073 /nfs/dbraw/zinc/99/70/73/538997073.db2.gz RLPDTGSZYYWQFM-LLVKDONJSA-N 1 0 219.332 1.978 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2ccon2)C1 ZINC000381250228 538997101 /nfs/dbraw/zinc/99/71/01/538997101.db2.gz PEJIJLVRLHITDA-CMPLNLGQSA-N 1 0 223.320 1.493 10 0 BDAERO CC(C)c1noc(NC[C@@H]2CC[NH2+]C2)n1 ZINC000107211578 539020364 /nfs/dbraw/zinc/02/03/64/539020364.db2.gz XPQNUHYTAYCJEX-MRVPVSSYSA-N 1 0 210.281 1.214 10 0 BDAERO C[C@@]1(NC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000406098324 342848650 /nfs/dbraw/zinc/84/86/50/342848650.db2.gz GZUUMGFVDWLXIG-CYBMUJFWSA-N 1 0 215.300 1.722 10 0 BDAERO CN[C@H](C[NH3+])c1ccc(C)c(Br)c1 ZINC000164868858 342853773 /nfs/dbraw/zinc/85/37/73/342853773.db2.gz DBXBFDJEIRMZHO-SNVBAGLBSA-N 1 0 243.148 1.977 10 0 BDAERO CC(C)[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCO1 ZINC000583995412 342861226 /nfs/dbraw/zinc/86/12/26/342861226.db2.gz HHRGIHKXUMCTEC-DGCLKSJQSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1C[N@H+](C)C[C@@]1(O)c1ccccc1F ZINC000521401613 398305123 /nfs/dbraw/zinc/30/51/23/398305123.db2.gz KICOMTJUROYLGS-SKDRFNHKSA-N 1 0 209.264 1.595 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1C[C@H]1C ZINC000300228766 259326934 /nfs/dbraw/zinc/32/69/34/259326934.db2.gz CZAAXDBOFDNISC-IJLUTSLNSA-N 1 0 215.337 1.410 10 0 BDAERO [NH3+][C@@H]1CSC[C@H]1Cc1ccc(O)cc1 ZINC000134577969 342869782 /nfs/dbraw/zinc/86/97/82/342869782.db2.gz PORYHRHZEXUYAN-MWLCHTKSSA-N 1 0 209.314 1.625 10 0 BDAERO O=C1CCCN1CCC[NH2+]Cc1ccncc1 ZINC000013727398 342870805 /nfs/dbraw/zinc/87/08/05/342870805.db2.gz YUWDCYPUIKSBMD-UHFFFAOYSA-N 1 0 233.315 1.184 10 0 BDAERO CC(C)(C[NH3+])Nc1ccncc1Br ZINC000165050747 342872416 /nfs/dbraw/zinc/87/24/16/342872416.db2.gz UQUGFVQQSFRBOV-UHFFFAOYSA-N 1 0 244.136 1.993 10 0 BDAERO Cn1nccc1[C@H]([NH3+])Cc1cncs1 ZINC000164953235 342859642 /nfs/dbraw/zinc/85/96/42/342859642.db2.gz DTWSCQDHZQHYHW-MRVPVSSYSA-N 1 0 208.290 1.119 10 0 BDAERO CNc1cccc(Br)c1C[NH3+] ZINC000164949111 342860464 /nfs/dbraw/zinc/86/04/64/342860464.db2.gz GYBHIWZYITXJMX-UHFFFAOYSA-N 1 0 215.094 1.950 10 0 BDAERO CC(C)c1nsc(N2CC[C@@](C)(C[NH3+])C2)n1 ZINC000232785794 342879823 /nfs/dbraw/zinc/87/98/23/342879823.db2.gz XEAVWUQCBGPJOE-NSHDSACASA-N 1 0 240.376 1.837 10 0 BDAERO COC(=O)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000035735534 342891093 /nfs/dbraw/zinc/89/10/93/342891093.db2.gz PUFXPBKUOMOWEP-ZJUUUORDSA-N 1 0 215.293 1.097 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CC1(CC)CC1 ZINC000232987414 342891123 /nfs/dbraw/zinc/89/11/23/342891123.db2.gz KSQWGWNUWARKAX-LBPRGKRZSA-N 1 0 229.364 1.944 10 0 BDAERO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000151798361 398322450 /nfs/dbraw/zinc/32/24/50/398322450.db2.gz XTDFLTLFJLTYAX-SRVKXCTJSA-N 1 0 242.363 1.400 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](C(=O)Cc2ccccc2)C1 ZINC000226596522 342900614 /nfs/dbraw/zinc/90/06/14/342900614.db2.gz LOVOALSPQGDQNE-VXGBXAGGSA-N 1 0 203.285 1.926 10 0 BDAERO Cc1cccc(CC[NH2+]C[C@@H](O)C(C)(C)C)n1 ZINC000399826347 342901193 /nfs/dbraw/zinc/90/11/93/342901193.db2.gz VCPWYYXALMFRPB-CYBMUJFWSA-N 1 0 236.359 1.929 10 0 BDAERO CCC[C@@H]1C[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000233301752 342902039 /nfs/dbraw/zinc/90/20/39/342902039.db2.gz RPPLXLWRHPCMAD-QJPTWQEYSA-N 1 0 224.348 1.681 10 0 BDAERO [NH3+][C@H](CO)Cc1cccc(F)c1Br ZINC000157757381 342922722 /nfs/dbraw/zinc/92/27/22/342922722.db2.gz WTJHHGANRPWYKA-ZETCQYMHSA-N 1 0 248.095 1.450 10 0 BDAERO COCCC(C)(C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000234594798 342930645 /nfs/dbraw/zinc/93/06/45/342930645.db2.gz FMRLJUNXNOJLEX-WDEREUQCSA-N 1 0 242.363 1.293 10 0 BDAERO C[C@H]([NH3+])CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000037608316 398332502 /nfs/dbraw/zinc/33/25/02/398332502.db2.gz QCJQLFMUKOZQLD-WNVRAWIISA-N 1 0 236.359 1.665 10 0 BDAERO CCC[C@H](C[NH2+][C@H]1CCC(=O)N[C@@H]1C)OC ZINC000392885335 398335834 /nfs/dbraw/zinc/33/58/34/398335834.db2.gz KPNLNKRBDUPEJG-MXWKQRLJSA-N 1 0 228.336 1.058 10 0 BDAERO Cc1ccncc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335597180 398341771 /nfs/dbraw/zinc/34/17/71/398341771.db2.gz NOMOXBXGQYDPRN-QWRGUYRKSA-N 1 0 233.315 1.717 10 0 BDAERO C[NH+](C)[C@@H]1CCN(c2nc3ccccc3[nH]2)C1 ZINC000134936464 398341938 /nfs/dbraw/zinc/34/19/38/398341938.db2.gz JLQADXYWOMCVFN-SNVBAGLBSA-N 1 0 230.315 1.703 10 0 BDAERO O=C(c1ccccc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000060200664 342945067 /nfs/dbraw/zinc/94/50/67/342945067.db2.gz YZVBIZXCNWCSLK-JTQLQIEISA-N 1 0 225.675 1.511 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308598705 529515287 /nfs/dbraw/zinc/51/52/87/529515287.db2.gz NNWJUWZBADHPFX-GARJFASQSA-N 1 0 203.301 1.875 10 0 BDAERO CC[C@@H](CO)[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000309062065 529515541 /nfs/dbraw/zinc/51/55/41/529515541.db2.gz XHZZXMQKOGZRTC-LMLFDSFASA-N 1 0 215.337 1.406 10 0 BDAERO CCc1ccc(OC[C@@H](O)C[NH2+]C)cc1 ZINC000019864610 342959859 /nfs/dbraw/zinc/95/98/59/342959859.db2.gz MJSKFSOMTVXVSE-NSHDSACASA-N 1 0 209.289 1.208 10 0 BDAERO C[C@H](c1ccncc1)N(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235279496 343000191 /nfs/dbraw/zinc/00/01/91/343000191.db2.gz OBSHJTOPULYDEK-NQBHXWOUSA-N 1 0 247.342 1.457 10 0 BDAERO OC[C@H]1CSCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000335902063 136259777 /nfs/dbraw/zinc/25/97/77/136259777.db2.gz VRSKNRBGTIUDTI-OLZOCXBDSA-N 1 0 249.379 1.736 10 0 BDAERO C[C@H]([NH3+])[C@@H](O)c1ccc(Br)s1 ZINC000043265243 343023830 /nfs/dbraw/zinc/02/38/30/343023830.db2.gz HVNFZFBKZWCUBR-MHTLYPKNSA-N 1 0 236.134 1.891 10 0 BDAERO CC1CC(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C1 ZINC000309517270 259343419 /nfs/dbraw/zinc/34/34/19/259343419.db2.gz SDUCEQCBELFUIQ-WIFZPCQCSA-N 1 0 210.321 1.241 10 0 BDAERO CNc1c(N)c[nH+]c2cc(F)cc(F)c21 ZINC000584881899 343079912 /nfs/dbraw/zinc/07/99/12/343079912.db2.gz HDHYGEBPBBAWHF-UHFFFAOYSA-N 1 0 209.199 1.559 10 0 BDAERO Cc1ccc([C@@H]([NH3+])CC[NH3+])c(F)c1F ZINC000306661115 362021026 /nfs/dbraw/zinc/02/10/26/362021026.db2.gz RKGPYENGQNTFHO-QMMMGPOBSA-N 1 0 200.232 1.622 10 0 BDAERO CNc1c(N)cnc2c(OC)ccc(OC)c21 ZINC000584882583 343085151 /nfs/dbraw/zinc/08/51/51/343085151.db2.gz LBTCUGCPTBNEHD-UHFFFAOYSA-N 1 0 233.271 1.298 10 0 BDAERO CNc1c(N)c[nH+]c2c(COC)cccc12 ZINC000584882760 343085464 /nfs/dbraw/zinc/08/54/64/343085464.db2.gz PPTJKDDQFUZQQP-UHFFFAOYSA-N 1 0 217.272 1.427 10 0 BDAERO CC[NH2+]C[C@@H](O)C[C@](O)(CC)C(C)C ZINC000584882980 343086016 /nfs/dbraw/zinc/08/60/16/343086016.db2.gz CKNPOOMJVHCIES-WDEREUQCSA-N 1 0 203.326 1.144 10 0 BDAERO CC[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000584883433 343086312 /nfs/dbraw/zinc/08/63/12/343086312.db2.gz NKYVNYLFYVPCTK-RKDXNWHRSA-N 1 0 214.309 1.652 10 0 BDAERO CC(C)[NH2+]C[C@H](O)C[C@@](C)(O)C(C)(C)C ZINC000584883282 343086321 /nfs/dbraw/zinc/08/63/21/343086321.db2.gz KFWAXTUXPLLCRD-ZYHUDNBSSA-N 1 0 217.353 1.533 10 0 BDAERO Cc1nc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)oc1C ZINC000246758330 362035794 /nfs/dbraw/zinc/03/57/94/362035794.db2.gz ALCUUZUSZBCVEK-MFKMUULPSA-N 1 0 249.358 1.960 10 0 BDAERO NC[C@H]([NH3+])CC1=Cc2c(F)cccc2CC1 ZINC000141614871 343097067 /nfs/dbraw/zinc/09/70/67/343097067.db2.gz INTCZRUIKONFLU-LLVKDONJSA-N 1 0 220.291 1.831 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@@H](C)O1 ZINC000394937365 362072115 /nfs/dbraw/zinc/07/21/15/362072115.db2.gz CBIOALOUWXFONA-ZIQFBCGOSA-N 1 0 240.347 1.044 10 0 BDAERO [NH3+][C@H](C[C@@H]([NH3+])c1ccc(Cl)cc1)C(=O)[O-] ZINC000259452941 343121596 /nfs/dbraw/zinc/12/15/96/343121596.db2.gz OFFAAQFFKIRXMZ-RKDXNWHRSA-N 1 0 228.679 1.142 10 0 BDAERO COc1ccc(N(C)C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000049972424 343129077 /nfs/dbraw/zinc/12/90/77/343129077.db2.gz YSBOZIWGDRYMMA-NSHDSACASA-N 1 0 248.326 1.658 10 0 BDAERO CN(c1ccc(N)nc1)C1CC[NH+](C)CC1 ZINC000019868323 343139853 /nfs/dbraw/zinc/13/98/53/343139853.db2.gz BHUWOSXUOYPFSZ-UHFFFAOYSA-N 1 0 220.320 1.194 10 0 BDAERO C[C@H](c1nccs1)N1CC[C@H](C[NH3+])C1 ZINC000070634703 343141403 /nfs/dbraw/zinc/14/14/03/343141403.db2.gz AXCMZDZIGLGXPP-RKDXNWHRSA-N 1 0 211.334 1.485 10 0 BDAERO C[C@@H]1CCCN(C(=O)C2([NH3+])CCOCC2)[C@H]1C ZINC000127912459 343179563 /nfs/dbraw/zinc/17/95/63/343179563.db2.gz RSXULJNGIMNLCC-MNOVXSKESA-N 1 0 240.347 1.141 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000133834631 343186139 /nfs/dbraw/zinc/18/61/39/343186139.db2.gz HANQNLVIYALQNV-TUAOUCFPSA-N 1 0 222.332 1.387 10 0 BDAERO C[NH+](C)CCOc1ccc(N)c(Cl)c1 ZINC000050470749 343152987 /nfs/dbraw/zinc/15/29/87/343152987.db2.gz XEOSVNIBLFBARW-UHFFFAOYSA-N 1 0 214.696 1.863 10 0 BDAERO CC(C)Oc1cncc(N[C@H](C)CCC[NH3+])n1 ZINC000094948089 343154469 /nfs/dbraw/zinc/15/44/69/343154469.db2.gz IYBHPKHGFIDVQA-SNVBAGLBSA-N 1 0 238.335 1.803 10 0 BDAERO [NH3+]C[C@H]1CCCCN1c1ccc2nccnc2n1 ZINC000094726306 343156739 /nfs/dbraw/zinc/15/67/39/343156739.db2.gz ZBQIYPWSMSUUIH-SNVBAGLBSA-N 1 0 243.314 1.342 10 0 BDAERO c1cnc2nc(NC[C@H]3CCC[NH2+]3)ccc2n1 ZINC000094726329 343157261 /nfs/dbraw/zinc/15/72/61/343157261.db2.gz LCWLLBHGUARCPL-SECBINFHSA-N 1 0 229.287 1.189 10 0 BDAERO CC[NH2+]CCNc1ccc(C(=O)OC)c(C)n1 ZINC000124434911 343167877 /nfs/dbraw/zinc/16/78/77/343167877.db2.gz GSMBSCIIGVTTNM-UHFFFAOYSA-N 1 0 237.303 1.198 10 0 BDAERO C[C@@H]([NH3+])[C@@H]1CCN(c2ncnc3ccccc32)C1 ZINC000127392360 343172245 /nfs/dbraw/zinc/17/22/45/343172245.db2.gz LOGSRXVJMRYJPU-GHMZBOCLSA-N 1 0 242.326 1.803 10 0 BDAERO CCCN(C(=O)[C@@H]1CC[C@H](C)O1)[C@H]1CC[NH2+]C1 ZINC000157979623 343200291 /nfs/dbraw/zinc/20/02/91/343200291.db2.gz WAYMRVDWPMWENL-SRVKXCTJSA-N 1 0 240.347 1.154 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@H](O)C1CCCCC1 ZINC000163155819 343206451 /nfs/dbraw/zinc/20/64/51/343206451.db2.gz QHBJAJRKBOVQBL-AAEUAGOBSA-N 1 0 229.364 1.942 10 0 BDAERO Cc1nnc(N[C@H](C)C[C@H](C)[NH3+])s1 ZINC000165733329 343212093 /nfs/dbraw/zinc/21/20/93/343212093.db2.gz SFAFNJNPBRWMHC-NTSWFWBYSA-N 1 0 200.311 1.384 10 0 BDAERO COc1cc(N[C@H](C)C[C@H](C)[NH3+])ncn1 ZINC000165763744 343212387 /nfs/dbraw/zinc/21/23/87/343212387.db2.gz WYCQPJTXIDNYIF-JGVFFNPUSA-N 1 0 210.281 1.023 10 0 BDAERO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)O1 ZINC000634688398 343245938 /nfs/dbraw/zinc/24/59/38/343245938.db2.gz RAUAFXILIJPDJH-WISYIIOYSA-N 1 0 212.337 1.081 10 0 BDAERO CC[C@H]([NH2+]CC(C)(C)C(N)=O)[C@H]1CC1(C)C ZINC000397627973 262927980 /nfs/dbraw/zinc/92/79/80/262927980.db2.gz NEBBLFVUYYKLCN-ZJUUUORDSA-N 1 0 226.364 1.912 10 0 BDAERO O=c1[nH]c2cccc([C@@H]3CCC[NH2+]C3)c2[nH]1 ZINC000034249521 343267486 /nfs/dbraw/zinc/26/74/86/343267486.db2.gz CXMHBSVCSVUFHU-MRVPVSSYSA-N 1 0 217.272 1.323 10 0 BDAERO Cc1nc(NC(=O)OC(C)(C)C)cnc1C[NH3+] ZINC000217432566 343278180 /nfs/dbraw/zinc/27/81/80/343278180.db2.gz XNYJOBUQLISLLU-UHFFFAOYSA-N 1 0 238.291 1.591 10 0 BDAERO [NH3+]C[C@H]1COc2ccc3ccccc3c2O1 ZINC000166022848 343301243 /nfs/dbraw/zinc/30/12/43/343301243.db2.gz MGJHPSQRWKRMNN-JTQLQIEISA-N 1 0 215.252 1.938 10 0 BDAERO [NH3+][C@H](CO)c1cc2c(c(Cl)c1)OCO2 ZINC000038124708 343371825 /nfs/dbraw/zinc/37/18/25/343371825.db2.gz NCLRKBNYRWOCDW-SSDOTTSWSA-N 1 0 215.636 1.061 10 0 BDAERO COC(C[NH2+][C@@H]1CCc2c1cccc2O)OC ZINC000037566743 343348739 /nfs/dbraw/zinc/34/87/39/343348739.db2.gz UOJBGYQRUMEUCY-LLVKDONJSA-N 1 0 237.299 1.588 10 0 BDAERO c1ccc(C2CC(N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000335641472 136308705 /nfs/dbraw/zinc/30/87/05/136308705.db2.gz GBIZCUVSSUBNPM-MOKVOYLWSA-N 1 0 216.328 1.884 10 0 BDAERO COc1cccc2c1CC[C@@H]1CN(CC[NH3+])C[C@H]21 ZINC000039078530 343381380 /nfs/dbraw/zinc/38/13/80/343381380.db2.gz MBNLVNWVBKNFGI-RISCZKNCSA-N 1 0 246.354 1.616 10 0 BDAERO C[C@@H](CO)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671395 343408297 /nfs/dbraw/zinc/40/82/97/343408297.db2.gz XOGBDKRJSSWZPP-DZGCQCFKSA-N 1 0 248.370 1.274 10 0 BDAERO C[C@H](O)C[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671391 343408498 /nfs/dbraw/zinc/40/84/98/343408498.db2.gz YVZVBESUFXMARG-ZFWWWQNUSA-N 1 0 248.370 1.274 10 0 BDAERO CC1(C)CN(C(=O)c2cccnc2)CC[C@@H]1[NH3+] ZINC000258997559 136374266 /nfs/dbraw/zinc/37/42/66/136374266.db2.gz BTNLCPALTDQWKW-NSHDSACASA-N 1 0 233.315 1.281 10 0 BDAERO CC(C)(C)C[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000044376415 343499133 /nfs/dbraw/zinc/49/91/33/343499133.db2.gz DOPYZVXHYIBMNP-JTQLQIEISA-N 1 0 219.350 1.199 10 0 BDAERO c1csc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404202006 343557485 /nfs/dbraw/zinc/55/74/85/343557485.db2.gz QEFXAIWWAPMYHI-NEPJUHHUSA-N 1 0 238.356 1.311 10 0 BDAERO O[C@H]1COCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000624236762 343582733 /nfs/dbraw/zinc/58/27/33/343582733.db2.gz JAJKMZJERPZRKK-CVSAEHQPSA-N 1 0 247.338 1.672 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000624238007 343584008 /nfs/dbraw/zinc/58/40/08/343584008.db2.gz IMXJBGOQZROJCM-NWDGAFQWSA-N 1 0 225.332 1.449 10 0 BDAERO Cc1nc([C@H](C)[NH2+][C@H]2CCOC[C@H]2O)cs1 ZINC000624238059 343584165 /nfs/dbraw/zinc/58/41/65/343584165.db2.gz JGWZYSWHUTYMSR-OVYXKVPISA-N 1 0 242.344 1.252 10 0 BDAERO Cn1nncc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712512309 537787876 /nfs/dbraw/zinc/78/78/76/537787876.db2.gz DOANHRDLAPWMBJ-SECBINFHSA-N 1 0 220.301 1.112 10 0 BDAERO [NH3+][C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000048837032 343588908 /nfs/dbraw/zinc/58/89/08/343588908.db2.gz XYMLUDZIXNJMOT-LBPRGKRZSA-N 1 0 234.299 1.308 10 0 BDAERO COC(C[C@@H]1[NH2+]CCc2ccsc21)OC ZINC000712513116 537786444 /nfs/dbraw/zinc/78/64/44/537786444.db2.gz LVKLYWGVNBZTFY-VIFPVBQESA-N 1 0 227.329 1.944 10 0 BDAERO C[C@@H]1C[C@H](CO)C[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000398842812 488224694 /nfs/dbraw/zinc/22/46/94/488224694.db2.gz SFLNXAZNYBTWEX-YIYPIFLZSA-N 1 0 241.375 1.488 10 0 BDAERO CCNC(=O)C[C@@H]1[NH2+]CCc2ccsc21 ZINC000712516377 537790701 /nfs/dbraw/zinc/79/07/01/537790701.db2.gz RRKGDGPVFVNGHV-VIFPVBQESA-N 1 0 224.329 1.461 10 0 BDAERO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000308800570 259367519 /nfs/dbraw/zinc/36/75/19/259367519.db2.gz MKAYKXGINOENTQ-WDEREUQCSA-N 1 0 215.337 1.098 10 0 BDAERO CCCCN(C)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087121672 343637785 /nfs/dbraw/zinc/63/77/85/343637785.db2.gz RRBOKPBFQCOICO-MNOVXSKESA-N 1 0 212.337 1.633 10 0 BDAERO C[NH2+][C@@H]1c2cc(F)ccc2[S@](=O)[C@H]1C ZINC000043636836 343633974 /nfs/dbraw/zinc/63/39/74/343633974.db2.gz SMVQTYBGRYKSQA-FCLQCFAFSA-N 1 0 213.277 1.596 10 0 BDAERO C[C@H](C[NH+](C)C)n1cc(Br)c(N)n1 ZINC000713987132 537800448 /nfs/dbraw/zinc/80/04/48/537800448.db2.gz ISDSPFKBJFDQBD-ZCFIWIBFSA-N 1 0 247.140 1.350 10 0 BDAERO C[C@@H](C[NH+](C)C)n1cc(Cl)c(N)n1 ZINC000713987570 537800259 /nfs/dbraw/zinc/80/02/59/537800259.db2.gz MBPZPLPIBUFJPF-LURJTMIESA-N 1 0 202.689 1.241 10 0 BDAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccc(O)cc1 ZINC000054685492 343689984 /nfs/dbraw/zinc/68/99/84/343689984.db2.gz RKURTQVWXSRGCI-CABCVRRESA-N 1 0 243.306 1.996 10 0 BDAERO FCCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000178391233 346953860 /nfs/dbraw/zinc/95/38/60/346953860.db2.gz UGIHQIQCQJNEIX-UHFFFAOYSA-N 1 0 200.301 1.516 10 0 BDAERO CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2N1CC[NH2+]CC1 ZINC000059732012 343712645 /nfs/dbraw/zinc/71/26/45/343712645.db2.gz MVNXKTNNGHSVTC-MISXGVKJSA-N 1 0 236.359 1.285 10 0 BDAERO CC1CC(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000621672748 343714085 /nfs/dbraw/zinc/71/40/85/343714085.db2.gz RSUGVDFSYYHCGA-ADPBJBESSA-N 1 0 224.348 1.537 10 0 BDAERO CC[C@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090223832 343750239 /nfs/dbraw/zinc/75/02/39/343750239.db2.gz NYZJGWKYOZQSKM-WCBMZHEXSA-N 1 0 208.309 1.810 10 0 BDAERO c1cc2cnccc2c([C@H]2C[NH2+]CCN2)c1 ZINC000309152345 346971524 /nfs/dbraw/zinc/97/15/24/346971524.db2.gz KADVWWKMTKDLEB-CYBMUJFWSA-N 1 0 213.284 1.469 10 0 BDAERO [NH3+][C@H]1CCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000045948678 343781982 /nfs/dbraw/zinc/78/19/82/343781982.db2.gz HBCPSKXEFJHGCR-VIFPVBQESA-N 1 0 229.283 1.341 10 0 BDAERO CC(C)(C)OC(=O)N1CC2(C[C@H]2C[NH3+])C1 ZINC000107214426 343785524 /nfs/dbraw/zinc/78/55/24/343785524.db2.gz WLBLIFCOJVMIKZ-QMMMGPOBSA-N 1 0 212.293 1.202 10 0 BDAERO C[N@@H+]1CC[C@@](CO)(CCO)[C@H]1c1ccccc1 ZINC000102132408 343785676 /nfs/dbraw/zinc/78/56/76/343785676.db2.gz NJWCRLHOZPTEBU-KGLIPLIRSA-N 1 0 235.327 1.424 10 0 BDAERO CCC[C@H](C[NH3+])[C@H](O)[C@H]1CCSC1 ZINC000300234091 537814134 /nfs/dbraw/zinc/81/41/34/537814134.db2.gz SWGWTTXAMIOMAI-UTLUCORTSA-N 1 0 203.351 1.475 10 0 BDAERO CCOC[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000313224031 343791291 /nfs/dbraw/zinc/79/12/91/343791291.db2.gz DGUYSZIOKZDDTF-NEPJUHHUSA-N 1 0 240.347 1.156 10 0 BDAERO Cn1nc(C2CC[NH2+]CC2)c2c1CCC2 ZINC000214666313 343792536 /nfs/dbraw/zinc/79/25/36/343792536.db2.gz XAYSKDJNAHZMGU-UHFFFAOYSA-N 1 0 205.305 1.376 10 0 BDAERO Cn1nc([C@H]2CCC[NH2+]C2)c2c1CCC2 ZINC000214666242 343792604 /nfs/dbraw/zinc/79/26/04/343792604.db2.gz JSYHFVSYFUOSCK-VIFPVBQESA-N 1 0 205.305 1.376 10 0 BDAERO [NH3+]CCN1CCOc2ccc(Cl)cc2C1 ZINC000213941202 343792673 /nfs/dbraw/zinc/79/26/73/343792673.db2.gz KHFDBGXACQHRCH-UHFFFAOYSA-N 1 0 226.707 1.493 10 0 BDAERO CCC[N@@H+]1CCCC[C@@H]1Cn1cc(CO)nn1 ZINC000409426825 343799157 /nfs/dbraw/zinc/79/91/57/343799157.db2.gz SFUWMBPEQWKATO-GFCCVEGCSA-N 1 0 238.335 1.035 10 0 BDAERO NC(=[NH2+])N1CCCC[C@H]1c1cccnc1 ZINC000409427301 343800666 /nfs/dbraw/zinc/80/06/66/343800666.db2.gz IXHHFGMNNYVFFQ-JTQLQIEISA-N 1 0 204.277 1.502 10 0 BDAERO [NH3+]CCN1Cc2cc(Cl)ccc2OCC1=O ZINC000409422014 343812308 /nfs/dbraw/zinc/81/23/08/343812308.db2.gz BMMAZVHNVCMKOM-UHFFFAOYSA-N 1 0 240.690 1.020 10 0 BDAERO [NH3+]C[C@H]1CCCN(c2cc(C3CC3)[nH]n2)C1 ZINC000409422504 343813863 /nfs/dbraw/zinc/81/38/63/343813863.db2.gz HLINVNFMIRSQLT-SECBINFHSA-N 1 0 220.320 1.462 10 0 BDAERO CC(C)CCn1nc2c(cc1=O)C[C@H]([NH3+])CC2 ZINC000409422936 343814411 /nfs/dbraw/zinc/81/44/11/343814411.db2.gz MYFJHGMDUDLEGQ-LLVKDONJSA-N 1 0 235.331 1.105 10 0 BDAERO Cc1nc([C@H]2C[NH2+]C[C@@H]2c2cccnc2)no1 ZINC000409423312 343815371 /nfs/dbraw/zinc/81/53/71/343815371.db2.gz NJCSECPFXCPNAB-MNOVXSKESA-N 1 0 230.271 1.244 10 0 BDAERO FC[C@@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)CCO2 ZINC000409423292 343815438 /nfs/dbraw/zinc/81/54/38/343815438.db2.gz POSPEQOBZJHEEP-VXGBXAGGSA-N 1 0 221.275 1.894 10 0 BDAERO CCC[NH+]1CCC(Cn2cc(C=O)nn2)CC1 ZINC000409423744 343815793 /nfs/dbraw/zinc/81/57/93/343815793.db2.gz CWMPXABSQIMLCN-UHFFFAOYSA-N 1 0 236.319 1.213 10 0 BDAERO COCc1cn(C[C@@H]([NH3+])c2ccccc2)nn1 ZINC000409423609 343815838 /nfs/dbraw/zinc/81/58/38/343815838.db2.gz CHFAYYXJMBLKBL-GFCCVEGCSA-N 1 0 232.287 1.125 10 0 BDAERO c1nn(C[C@H]2CCOC2)cc1C1CC[NH2+]CC1 ZINC000409424238 343817337 /nfs/dbraw/zinc/81/73/37/343817337.db2.gz GBVYSVOKDSINMT-LLVKDONJSA-N 1 0 235.331 1.387 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N1C[C@H]2CCC(F)(F)[C@@H]2C1 ZINC000409425160 343818658 /nfs/dbraw/zinc/81/86/58/343818658.db2.gz FHWSJSVYRBCJIT-BBBLOLIVSA-N 1 0 244.285 1.242 10 0 BDAERO NC(=[NH2+])N1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409425480 343819341 /nfs/dbraw/zinc/81/93/41/343819341.db2.gz GCZCORFCBNIOQD-NKWVEPMBSA-N 1 0 203.236 1.247 10 0 BDAERO CON(C)C(=O)CC12CCC[NH+]1CCC2 ZINC000409431291 343819690 /nfs/dbraw/zinc/81/96/90/343819690.db2.gz IXMFENJLOQMNFB-UHFFFAOYSA-N 1 0 212.293 1.025 10 0 BDAERO [NH3+]Cc1ncn2c1CO[C@@H](c1cccs1)C2 ZINC000409425841 343820938 /nfs/dbraw/zinc/82/09/38/343820938.db2.gz BVHZCUKMENVGMU-SNVBAGLBSA-N 1 0 235.312 1.675 10 0 BDAERO COC[C@]12CN(C(=O)CC[NH3+])C[C@@H]1CCCC2 ZINC000409426302 343821834 /nfs/dbraw/zinc/82/18/34/343821834.db2.gz BXWUHPZJHMBTFT-AAEUAGOBSA-N 1 0 240.347 1.000 10 0 BDAERO COc1ccc2c(c1)OC1(C[NH2+]C1)CC2 ZINC000409432330 343826035 /nfs/dbraw/zinc/82/60/35/343826035.db2.gz NKUUMWXRDIMKAN-UHFFFAOYSA-N 1 0 205.257 1.362 10 0 BDAERO COc1ccc2c(c1)OC1(C[NH2+]C1)CC2=O ZINC000409432908 343828177 /nfs/dbraw/zinc/82/81/77/343828177.db2.gz PLNYRWWKCVMZET-UHFFFAOYSA-N 1 0 219.240 1.002 10 0 BDAERO Cc1ccc(C)n1Cc1nc(CC[NH3+])no1 ZINC000400490205 343810777 /nfs/dbraw/zinc/81/07/77/343810777.db2.gz CFBCSRPCKYMPFP-UHFFFAOYSA-N 1 0 220.276 1.037 10 0 BDAERO CN(C(=O)[C@H]1CCC[NH2+]C1)C1CCSCC1 ZINC000403670196 343811484 /nfs/dbraw/zinc/81/14/84/343811484.db2.gz FBRVYLHISSVNIB-JTQLQIEISA-N 1 0 242.388 1.340 10 0 BDAERO Cn1nc(-c2ccccn2)c2c1CC[NH2+]C2 ZINC000409440007 343853979 /nfs/dbraw/zinc/85/39/79/343853979.db2.gz RFPQPVRAAGMPDQ-UHFFFAOYSA-N 1 0 214.272 1.128 10 0 BDAERO c1nn(C[C@H]2CCC[NH2+]2)cc1-c1cnccn1 ZINC000409441135 343855516 /nfs/dbraw/zinc/85/55/16/343855516.db2.gz WREOJLPTHQDVTI-LLVKDONJSA-N 1 0 229.287 1.092 10 0 BDAERO O=C(C1C[NH2+]C1)N1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409433956 343831030 /nfs/dbraw/zinc/83/10/30/343831030.db2.gz ZIWQDSVHPMZSCN-WCBMZHEXSA-N 1 0 244.285 1.100 10 0 BDAERO CC[N@H+]1C[C@@H]2[C@H](C(F)(F)F)NC[C@H]2C1 ZINC000409433259 343831999 /nfs/dbraw/zinc/83/19/99/343831999.db2.gz ZMTLRDGESXQIHL-BIIVOSGPSA-N 1 0 208.227 1.088 10 0 BDAERO COC[C@@]12CN(C(N)=[NH2+])C[C@@H]1CCCC2 ZINC000409435620 343834206 /nfs/dbraw/zinc/83/42/06/343834206.db2.gz VUGHNVHASDIJKG-GXSJLCMTSA-N 1 0 211.309 1.018 10 0 BDAERO COCc1ccc2c(c1)CCN2C(=O)[C@H](C)[NH3+] ZINC000409434955 343835654 /nfs/dbraw/zinc/83/56/54/343835654.db2.gz RLXQICYAQIIOOJ-VIFPVBQESA-N 1 0 234.299 1.069 10 0 BDAERO Nc1cc(-c2ccsc2)nn1CC[NH3+] ZINC000409436817 343841342 /nfs/dbraw/zinc/84/13/42/343841342.db2.gz AYQTZXDOWBRBJJ-UHFFFAOYSA-N 1 0 208.290 1.153 10 0 BDAERO C[NH2+][C@@H]1CCC[C@H]1c1noc(-c2ccncc2)n1 ZINC000409442001 343856950 /nfs/dbraw/zinc/85/69/50/343856950.db2.gz SCBKNIYYRTWPGK-GHMZBOCLSA-N 1 0 244.298 1.987 10 0 BDAERO CCc1[nH]nc(-c2ccco2)c1C[NH2+]C ZINC000409438662 343844956 /nfs/dbraw/zinc/84/49/56/343844956.db2.gz DRHOCHPTWHVFOR-UHFFFAOYSA-N 1 0 205.261 1.952 10 0 BDAERO Nc1cc(C(F)(F)F)nn1C1CC[NH2+]CC1 ZINC000409438895 343845794 /nfs/dbraw/zinc/84/57/94/343845794.db2.gz MYCMILWEXZPXBF-UHFFFAOYSA-N 1 0 234.225 1.409 10 0 BDAERO CN1C(=O)[C@@H]([NH3+])C[C@H]1c1cccc(Cl)c1 ZINC000409439295 343847102 /nfs/dbraw/zinc/84/71/02/343847102.db2.gz GPKNBNHORLNGTM-UWVGGRQHSA-N 1 0 224.691 1.571 10 0 BDAERO Nc1cc(C2CC2)nn1C[C@@H]1CCCC[NH2+]1 ZINC000409439577 343847944 /nfs/dbraw/zinc/84/79/44/343847944.db2.gz PUFNMJOTYQVQRG-JTQLQIEISA-N 1 0 220.320 1.485 10 0 BDAERO CC(C)Cc1[nH]nc(C2CCOCC2)c1C[NH3+] ZINC000409439584 343848080 /nfs/dbraw/zinc/84/80/80/343848080.db2.gz JBMBRYNREJJTSS-UHFFFAOYSA-N 1 0 237.347 1.961 10 0 BDAERO CCc1[nH]nc(-c2ccccn2)c1C[NH3+] ZINC000409437862 343848859 /nfs/dbraw/zinc/84/88/59/343848859.db2.gz AQCGYBIXUCSKAN-UHFFFAOYSA-N 1 0 202.261 1.493 10 0 BDAERO [NH3+]Cc1cc2n(ccn2C2CCCC2)n1 ZINC000409437904 343849199 /nfs/dbraw/zinc/84/91/99/343849199.db2.gz JDMYGXGYCHOUBP-UHFFFAOYSA-N 1 0 204.277 1.710 10 0 BDAERO OC[C@@H]1CCCn2c3c(nc21)CCCC3 ZINC000409438139 343849832 /nfs/dbraw/zinc/84/98/32/343849832.db2.gz CGBIRZUKIVFFST-VIFPVBQESA-N 1 0 206.289 1.632 10 0 BDAERO CC(C)(C)OC(=O)C[C@@]1(O)C[NH+]2CCC1CC2 ZINC000021987012 343851661 /nfs/dbraw/zinc/85/16/61/343851661.db2.gz ZTZWGFUPOGRSKR-CYBMUJFWSA-N 1 0 241.331 1.175 10 0 BDAERO CN1C(=O)[C@@H]([NH3+])C[C@H]1c1ccc(Cl)cc1 ZINC000409440380 343851811 /nfs/dbraw/zinc/85/18/11/343851811.db2.gz KOZJWIOYKHCNLP-UWVGGRQHSA-N 1 0 224.691 1.571 10 0 BDAERO Cn1cc(C(N)=[NH2+])c(-c2ccsc2)n1 ZINC000409441426 343859060 /nfs/dbraw/zinc/85/90/60/343859060.db2.gz XSGFZMYBAFEICX-UHFFFAOYSA-N 1 0 206.274 1.433 10 0 BDAERO C[NH2+][C@H]1CCC[C@H]1N1C(=O)c2ccccc2C1=O ZINC000409442727 343864516 /nfs/dbraw/zinc/86/45/16/343864516.db2.gz ZTWAGRGEIDLVGH-NWDGAFQWSA-N 1 0 244.294 1.423 10 0 BDAERO [NH3+]Cc1cc(-c2ccccn2)nn1CCF ZINC000409442772 343864641 /nfs/dbraw/zinc/86/46/41/343864641.db2.gz AFYXZOBXSHJDTJ-UHFFFAOYSA-N 1 0 220.251 1.373 10 0 BDAERO [NH3+]Cc1cc(-c2ccsc2)nn1CCO ZINC000409443002 343864929 /nfs/dbraw/zinc/86/49/29/343864929.db2.gz FHYRYJWOWZYMNY-UHFFFAOYSA-N 1 0 223.301 1.063 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@@H](O)c1ccco1 ZINC000234325360 343940843 /nfs/dbraw/zinc/94/08/43/343940843.db2.gz MURCIXSSVKWMNG-PSASIEDQSA-N 1 0 213.302 1.360 10 0 BDAERO Cc1ccc(CNC[C@H]2CCCC[NH2+]2)o1 ZINC000053040442 178612077 /nfs/dbraw/zinc/61/20/77/178612077.db2.gz AVOSMLOIEICCBH-LLVKDONJSA-N 1 0 208.305 1.820 10 0 BDAERO CC(C)[C@@H]([NH3+])CNc1ccc(Cl)nn1 ZINC000070010765 343946112 /nfs/dbraw/zinc/94/61/12/343946112.db2.gz AYEVCNKIMFRPEZ-ZETCQYMHSA-N 1 0 214.700 1.525 10 0 BDAERO C[C@@H](C[NH3+])c1noc([C@@H]2CCCS2)n1 ZINC000070005018 343946299 /nfs/dbraw/zinc/94/62/99/343946299.db2.gz HSGVFEZHCUTYGN-BQBZGAKWSA-N 1 0 213.306 1.700 10 0 BDAERO Cc1nnc(N[C@@H](C)C[C@H](C)[NH3+])s1 ZINC000165733205 343970723 /nfs/dbraw/zinc/97/07/23/343970723.db2.gz SFAFNJNPBRWMHC-WDSKDSINSA-N 1 0 200.311 1.384 10 0 BDAERO Cc1cccnc1NC(=O)C1CCC([NH3+])CC1 ZINC000309902847 343975403 /nfs/dbraw/zinc/97/54/03/343975403.db2.gz PEDIBPIDSXJAAZ-UHFFFAOYSA-N 1 0 233.315 1.846 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN(CC(F)(F)F)[C@@H]1C ZINC000221797891 347021113 /nfs/dbraw/zinc/02/11/13/347021113.db2.gz UMLJSEMFRYLIHH-XLPZGREQSA-N 1 0 210.243 1.606 10 0 BDAERO CC(C)[NH2+][C@]1(C(N)=O)CCCC(C)(C)C1 ZINC000070629110 343953632 /nfs/dbraw/zinc/95/36/32/343953632.db2.gz XOKKPXPNDVDFEH-GFCCVEGCSA-N 1 0 212.337 1.809 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](N2CCSCC2)C1 ZINC000401956745 344082344 /nfs/dbraw/zinc/08/23/44/344082344.db2.gz PBRGPUOWIPQJKO-NXEZZACHSA-N 1 0 200.351 1.033 10 0 BDAERO O=C(C1CCCCC1)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000616570918 344178755 /nfs/dbraw/zinc/17/87/55/344178755.db2.gz IBTQNEGWGQJOPR-QWHCGFSZSA-N 1 0 236.359 1.920 10 0 BDAERO CCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616570930 344178811 /nfs/dbraw/zinc/17/88/11/344178811.db2.gz IDRJHMSYEGZCOR-HTQZYQBOSA-N 1 0 238.253 1.443 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](C)C1(COC)CC1 ZINC000683996447 488254287 /nfs/dbraw/zinc/25/42/87/488254287.db2.gz UWNLJOJRUICORO-LBPRGKRZSA-N 1 0 245.363 1.275 10 0 BDAERO [NH3+]CCN1CCC2(CC2)c2ccccc21 ZINC000216790770 344152490 /nfs/dbraw/zinc/15/24/90/344152490.db2.gz BFFLNSGPORPYEG-UHFFFAOYSA-N 1 0 202.301 1.887 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CCCC1 ZINC000247408312 344177688 /nfs/dbraw/zinc/17/76/88/344177688.db2.gz PYSMSVOYZFSKIC-YPMHNXCESA-N 1 0 236.359 1.872 10 0 BDAERO COC1(C[N@@H+]2CCN3CCCC[C@@H]3C2)CCC1 ZINC000234637271 344159791 /nfs/dbraw/zinc/15/97/91/344159791.db2.gz GRASJRVIMOTHSG-CYBMUJFWSA-N 1 0 238.375 1.726 10 0 BDAERO CCOc1cc(C)cc(N2CC[NH2+]CC2)n1 ZINC000217842608 344208960 /nfs/dbraw/zinc/20/89/60/344208960.db2.gz FIMGLYRRFDKXCY-UHFFFAOYSA-N 1 0 221.304 1.198 10 0 BDAERO O=C1CCCCC[C@H]1[N@@H+]1CC[C@H](CO)C1 ZINC000165921271 344213705 /nfs/dbraw/zinc/21/37/05/344213705.db2.gz HOSDTKPUOZHNQY-WDEREUQCSA-N 1 0 211.305 1.202 10 0 BDAERO CC[C@@H](O)CCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000580323171 347036112 /nfs/dbraw/zinc/03/61/12/347036112.db2.gz JRECIOSGANMKNC-IJLUTSLNSA-N 1 0 242.363 1.042 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000570740723 323069311 /nfs/dbraw/zinc/06/93/11/323069311.db2.gz PKRKGDQZALDMIO-YNEHKIRRSA-N 1 0 243.347 1.075 10 0 BDAERO [NH3+][C@H]1CN(C(=O)C2CC2)CC[C@H]1C(F)(F)F ZINC000616573101 344184320 /nfs/dbraw/zinc/18/43/20/344184320.db2.gz WWYKGMVETCRRAR-SFYZADRCSA-N 1 0 236.237 1.135 10 0 BDAERO C[C@@H]1COCC[N@@H+]1C[C@@H]1CCCCC1=O ZINC000060720134 344198657 /nfs/dbraw/zinc/19/86/57/344198657.db2.gz IGVPQNPAPVWESW-MNOVXSKESA-N 1 0 211.305 1.466 10 0 BDAERO C[C@H]1CCCN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634751168 344201453 /nfs/dbraw/zinc/20/14/53/344201453.db2.gz MEUYOWHLSUGMMZ-GVXVVHGQSA-N 1 0 222.332 1.387 10 0 BDAERO [NH3+]Cc1ccc(Br)cc1NCCO ZINC000165955366 344247843 /nfs/dbraw/zinc/24/78/43/344247843.db2.gz NEPLNHUPXBBLHZ-UHFFFAOYSA-N 1 0 245.120 1.312 10 0 BDAERO C[C@@H]1[C@@H](C)CCN1C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634761440 344250244 /nfs/dbraw/zinc/25/02/44/344250244.db2.gz BMRNNBGFDUCIKC-OPDFLTKYSA-N 1 0 236.359 1.633 10 0 BDAERO CC[C@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634762490 344254862 /nfs/dbraw/zinc/25/48/62/344254862.db2.gz YMBFWOADHCPCDT-OBJOEFQTSA-N 1 0 236.359 1.635 10 0 BDAERO Cc1ccc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)nc1 ZINC000634763155 344266680 /nfs/dbraw/zinc/26/66/80/344266680.db2.gz PENIONFVUXTCKJ-FZMZJTMJSA-N 1 0 245.326 1.718 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)o1 ZINC000235634621 344242566 /nfs/dbraw/zinc/24/25/66/344242566.db2.gz UBLYWUYHCZDGFO-CBAPKCEASA-N 1 0 208.261 1.007 10 0 BDAERO Cc1cnc(N2C[C@H]([NH3+])C[C@@H]2C)nc1C ZINC000385084142 344320565 /nfs/dbraw/zinc/32/05/65/344320565.db2.gz KKIHCZAMSMMHDB-WCBMZHEXSA-N 1 0 206.293 1.019 10 0 BDAERO C[C@H]1C[C@@H]([NH3+])CN1c1ncnc2c1CCCC2 ZINC000385162505 344356756 /nfs/dbraw/zinc/35/67/56/344356756.db2.gz SGJQRDZOYWMWKG-VHSXEESVSA-N 1 0 232.331 1.281 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])CN1c1nccc(C(F)(F)F)n1 ZINC000385222693 344378400 /nfs/dbraw/zinc/37/84/00/344378400.db2.gz HGRNYBCHWUZGRR-RNFRBKRXSA-N 1 0 246.236 1.421 10 0 BDAERO C[C@@H]1CSC(N[C@@H]2CO[C@@H](C)C2)=[NH+]1 ZINC000402136128 344434087 /nfs/dbraw/zinc/43/40/87/344434087.db2.gz IQDQPYMXTWDDIH-CSMHCCOUSA-N 1 0 200.307 1.245 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C(F)(F)F)nn1 ZINC000385259942 344384644 /nfs/dbraw/zinc/38/46/44/344384644.db2.gz PXOQHHRFOYOTIL-RQJHMYQMSA-N 1 0 246.236 1.421 10 0 BDAERO C[NH2+][C@H]1CCC2(C[C@@H]1OC(C)(C)C)OCCO2 ZINC000044095901 344391944 /nfs/dbraw/zinc/39/19/44/344391944.db2.gz NVOMTTHTSJJNIN-QWRGUYRKSA-N 1 0 243.347 1.685 10 0 BDAERO C[NH+](C)[C@]1(C)c2ccccc2CC[C@H]1O ZINC000028767300 344414649 /nfs/dbraw/zinc/41/46/49/344414649.db2.gz REJRDHJDTBJXPI-CHWSQXEVSA-N 1 0 205.301 1.771 10 0 BDAERO CC(C)S(=O)(=O)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] ZINC000081981764 537846697 /nfs/dbraw/zinc/84/66/97/537846697.db2.gz SIKRINWNVOTJAT-VHSXEESVSA-N 1 0 233.377 1.716 10 0 BDAERO CO[C@]1(C)CCC[N@@H+](C(C)(C)C[NH3+])C1 ZINC000230248830 344469298 /nfs/dbraw/zinc/46/92/98/344469298.db2.gz HXRRFFQNUJLYAH-LLVKDONJSA-N 1 0 200.326 1.225 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2[C@@H]1[C@H]2[NH3+] ZINC000306885329 344469901 /nfs/dbraw/zinc/46/99/01/344469901.db2.gz NKLUMVARBVWVMR-KZVJFYERSA-N 1 0 212.293 1.247 10 0 BDAERO CC(C)CC(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000220486031 344471754 /nfs/dbraw/zinc/47/17/54/344471754.db2.gz JHARPMUBSRSLMQ-UHFFFAOYSA-N 1 0 210.321 1.245 10 0 BDAERO COC[C@H](C)[NH2+]Cc1ccc(C(=O)OC)s1 ZINC000381302542 344493505 /nfs/dbraw/zinc/49/35/05/344493505.db2.gz GGYMYOKQDOYLEY-QMMMGPOBSA-N 1 0 243.328 1.659 10 0 BDAERO C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C[NH+](C)C ZINC000381625707 344527242 /nfs/dbraw/zinc/52/72/42/344527242.db2.gz KZQLNLJMLUISGR-YFKTTZPYSA-N 1 0 224.348 1.346 10 0 BDAERO C[C@H]1C[C@@](O)(Cc2cccs2)C[N@@H+]1C ZINC000127589194 344569168 /nfs/dbraw/zinc/56/91/68/344569168.db2.gz JJEYZARZEONTQY-GXSJLCMTSA-N 1 0 211.330 1.746 10 0 BDAERO C[C@@H]([NH3+])C1CCN(c2ncnc3c2CCC3)CC1 ZINC000111612527 344596169 /nfs/dbraw/zinc/59/61/69/344596169.db2.gz KQAPGZGNTRNZDQ-SNVBAGLBSA-N 1 0 246.358 1.529 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cncnc1 ZINC000248414134 537852217 /nfs/dbraw/zinc/85/22/17/537852217.db2.gz MJCAXASPQAEEOK-KGLIPLIRSA-N 1 0 246.358 1.535 10 0 BDAERO C[C@H]1C[C@@H](Nc2ncns2)CC[N@@H+]1C ZINC000158509662 344668962 /nfs/dbraw/zinc/66/89/62/344668962.db2.gz KWYWYQJXWADMBK-YUMQZZPRSA-N 1 0 212.322 1.433 10 0 BDAERO CC(C)[C@@H](C[NH3+])N1CCS[C@@H](C)C1 ZINC000220936412 344643929 /nfs/dbraw/zinc/64/39/29/344643929.db2.gz RHZIZUCMWYMLMZ-VHSXEESVSA-N 1 0 202.367 1.407 10 0 BDAERO C[C@H](NC1=[NH+]CCS1)[C@H]1CCOC1 ZINC000158709386 344728440 /nfs/dbraw/zinc/72/84/40/344728440.db2.gz MCMPTHUPWNJGIX-YUMQZZPRSA-N 1 0 200.307 1.104 10 0 BDAERO C[N@@H+]1CCC[C@H](Nc2ccnc(F)c2)C1 ZINC000227641175 344709238 /nfs/dbraw/zinc/70/92/38/344709238.db2.gz LGFPDLIMXDIBHN-JTQLQIEISA-N 1 0 209.268 1.727 10 0 BDAERO COC(C)(C)C[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000400437045 537857448 /nfs/dbraw/zinc/85/74/48/537857448.db2.gz DMGKGPZTWUGANX-LBPRGKRZSA-N 1 0 223.320 1.586 10 0 BDAERO CC[C@@H](O)CN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000075718906 344778056 /nfs/dbraw/zinc/77/80/56/344778056.db2.gz FFPWWHCXYFFSHJ-ZIAGYGMSSA-N 1 0 240.391 1.708 10 0 BDAERO Cc1nc(C)c([C@@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000400450864 537857092 /nfs/dbraw/zinc/85/70/92/537857092.db2.gz GDSDEODILMFNMP-SNVBAGLBSA-N 1 0 234.328 1.718 10 0 BDAERO CCc1ccnc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000181845864 347075303 /nfs/dbraw/zinc/07/53/03/347075303.db2.gz RZCUCTBXUFUTLU-LBPRGKRZSA-N 1 0 247.342 1.420 10 0 BDAERO C[C@@H](N=c1[nH]c2ccccc2o1)[C@H](C)[NH3+] ZINC000336521436 347076826 /nfs/dbraw/zinc/07/68/26/347076826.db2.gz WGSWRJGYNJCYPA-JGVFFNPUSA-N 1 0 205.261 1.397 10 0 BDAERO Cc1cc(N[C@@H](C)C[NH3+])cnc1Br ZINC000235118020 344801998 /nfs/dbraw/zinc/80/19/98/344801998.db2.gz FYOCELOWMLNKSO-ZETCQYMHSA-N 1 0 244.136 1.912 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)C(F)(F)F ZINC000062810236 347082131 /nfs/dbraw/zinc/08/21/31/347082131.db2.gz DRGMADKSXPUQIW-UHFFFAOYSA-N 1 0 232.205 1.907 10 0 BDAERO C[C@@H]([NH3+])CNc1ncc(Br)cc1F ZINC000235180231 344836285 /nfs/dbraw/zinc/83/62/85/344836285.db2.gz RFXAXIQTUZFCLC-RXMQYKEDSA-N 1 0 248.099 1.742 10 0 BDAERO C[C@@](O)(C[NH3+])Cc1ccc(Cl)c(F)c1 ZINC000235379338 344898066 /nfs/dbraw/zinc/89/80/66/344898066.db2.gz JWSYQBVSNWXPCK-JTQLQIEISA-N 1 0 217.671 1.731 10 0 BDAERO C[C@@](O)(C[NH3+])c1ccc(F)cc1Br ZINC000235380600 344899131 /nfs/dbraw/zinc/89/91/31/344899131.db2.gz WAAMUQGPOIYHOL-SECBINFHSA-N 1 0 248.095 1.754 10 0 BDAERO C[C@@H]1SCC[C@]1(C[NH3+])NCc1ccccc1 ZINC000235393436 344902042 /nfs/dbraw/zinc/90/20/42/344902042.db2.gz SKDRZRUXEVYVDO-WCQYABFASA-N 1 0 236.384 1.999 10 0 BDAERO Cn1cncc1C[NH2+]CC[C@@H]1CCCO1 ZINC000082394166 344903282 /nfs/dbraw/zinc/90/32/82/344903282.db2.gz JKFGKBUFFJSWJV-NSHDSACASA-N 1 0 209.293 1.079 10 0 BDAERO Cc1cn(CCC[NH+]2CCCC2)nc1N ZINC000069760272 537871966 /nfs/dbraw/zinc/87/19/66/537871966.db2.gz NNLRBSDISUQJFX-UHFFFAOYSA-N 1 0 208.309 1.260 10 0 BDAERO CC[C@@H]1CCN(C(=O)n2cc[n+](C)c2)C1 ZINC000166479468 344904732 /nfs/dbraw/zinc/90/47/32/344904732.db2.gz YNGPIKQDCCGPJO-SNVBAGLBSA-N 1 0 208.285 1.013 10 0 BDAERO COC(C)(C)C(=O)C[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000301004449 537875775 /nfs/dbraw/zinc/87/57/75/537875775.db2.gz NJYIAXNMBCPVNH-UWVGGRQHSA-N 1 0 213.321 1.759 10 0 BDAERO C[C@H]([NH3+])Cc1noc(-c2cncs2)n1 ZINC000235519510 344929947 /nfs/dbraw/zinc/92/99/47/344929947.db2.gz KVULHPJGCNUHHT-YFKPBYRVSA-N 1 0 210.262 1.083 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000380009796 365802901 /nfs/dbraw/zinc/80/29/01/365802901.db2.gz RCIDSNUJYUYDLA-GZMMTYOYSA-N 1 0 229.682 1.950 10 0 BDAERO C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1S(C)(=O)=O ZINC000070623307 537873946 /nfs/dbraw/zinc/87/39/46/537873946.db2.gz ULLJHQFPRJPWFZ-BDAKNGLRSA-N 1 0 219.350 1.198 10 0 BDAERO O=C1NCCCC[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000153594778 344914917 /nfs/dbraw/zinc/91/49/17/344914917.db2.gz KPTYGXVFYLACHB-ZDUSSCGKSA-N 1 0 230.311 1.671 10 0 BDAERO C[C@H]1OCC[C@H]1CNC1=[NH+]CCS1 ZINC000235626198 344958979 /nfs/dbraw/zinc/95/89/79/344958979.db2.gz FOYISPSLERVGHL-SFYZADRCSA-N 1 0 200.307 1.104 10 0 BDAERO C[NH+](C)C[C@@H]1COc2cc(N)ccc2C1 ZINC000145098915 344985276 /nfs/dbraw/zinc/98/52/76/344985276.db2.gz YBUJOLGIDBRNJA-SECBINFHSA-N 1 0 206.289 1.382 10 0 BDAERO Cn1cc([C@H]([NH3+])CCO)c2ccccc21 ZINC000044233624 344989002 /nfs/dbraw/zinc/98/90/02/344989002.db2.gz YBNWBQJIOPZAME-LLVKDONJSA-N 1 0 204.273 1.561 10 0 BDAERO [NH3+][C@@H](CCO)c1cc(F)ccc1Br ZINC000044233989 344989023 /nfs/dbraw/zinc/98/90/23/344989023.db2.gz KHLWOHZGHOSRLT-VIFPVBQESA-N 1 0 248.095 1.970 10 0 BDAERO C[C@H](c1ccccn1)N1CCC[C@H]1C[NH3+] ZINC000247963384 344992774 /nfs/dbraw/zinc/99/27/74/344992774.db2.gz GIMFWFPUAQUKAV-MNOVXSKESA-N 1 0 205.305 1.566 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccn1C ZINC000123450315 345000392 /nfs/dbraw/zinc/00/03/92/345000392.db2.gz APZDROPBHRFMMM-CQSZACIVSA-N 1 0 235.375 1.941 10 0 BDAERO CCC1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062116452 168518248 /nfs/dbraw/zinc/51/82/48/168518248.db2.gz FCQRZSXGRUBIRU-MOENNCHZSA-N 1 0 224.348 1.681 10 0 BDAERO Cc1ccc(OCC[NH2+]C[C@H]2CCOC2)cn1 ZINC000053589987 178812770 /nfs/dbraw/zinc/81/27/70/178812770.db2.gz JGQIQTUGFNIVCQ-GFCCVEGCSA-N 1 0 236.315 1.395 10 0 BDAERO [NH3+]Cc1cncc(OC(F)(F)F)c1F ZINC000238572001 345080573 /nfs/dbraw/zinc/08/05/73/345080573.db2.gz YLNHWTRUSCOEAQ-UHFFFAOYSA-N 1 0 210.130 1.578 10 0 BDAERO FC(F)(F)c1ccc(C2C[NH2+]C2)cn1 ZINC000238588060 345083717 /nfs/dbraw/zinc/08/37/17/345083717.db2.gz WTPQRZMOJZKHOP-UHFFFAOYSA-N 1 0 202.179 1.787 10 0 BDAERO Cc1ccnc(OC(F)(F)F)c1C[NH3+] ZINC000238472528 345054459 /nfs/dbraw/zinc/05/44/59/345054459.db2.gz JJUYTVIMTHDZKG-UHFFFAOYSA-N 1 0 206.167 1.747 10 0 BDAERO Cc1ccc(OC[C@@H](C)O)c([C@@H](C)[NH3+])c1 ZINC000037710509 178813946 /nfs/dbraw/zinc/81/39/46/178813946.db2.gz HQOWFFVCCLLIRN-NXEZZACHSA-N 1 0 209.289 1.774 10 0 BDAERO CCn1cnnc1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000155984711 345117485 /nfs/dbraw/zinc/11/74/85/345117485.db2.gz BXPOJVPYVNVMFK-LBPRGKRZSA-N 1 0 234.347 1.887 10 0 BDAERO CCOCCN1CC[N@H+](CC2CC2)C[C@H]1CC ZINC000156166958 345130986 /nfs/dbraw/zinc/13/09/86/345130986.db2.gz VFFVKQJZJMYQRG-CQSZACIVSA-N 1 0 240.391 1.829 10 0 BDAERO CC(C)n1nccc1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999026 345199381 /nfs/dbraw/zinc/19/93/81/345199381.db2.gz PAVGVVYSIXBKHN-NEPJUHHUSA-N 1 0 236.363 1.491 10 0 BDAERO C[C@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1[NH3+] ZINC000235690267 345212210 /nfs/dbraw/zinc/21/22/10/345212210.db2.gz PYVJLTZOXOLFRZ-TVQRCGJNSA-N 1 0 246.310 1.136 10 0 BDAERO CC[C@](C)([NH3+])c1nc(C(F)(F)F)no1 ZINC000130282288 345271656 /nfs/dbraw/zinc/27/16/56/345271656.db2.gz HUGCGVWGPIOGGC-LURJTMIESA-N 1 0 209.171 1.672 10 0 BDAERO CNc1nc(NCC(F)F)cc(C)[nH+]1 ZINC000148217958 345337883 /nfs/dbraw/zinc/33/78/83/345337883.db2.gz JLELCKAQDZMOMO-UHFFFAOYSA-N 1 0 202.208 1.504 10 0 BDAERO C[C@@H](c1nccs1)N1CCC[C@H]1C[NH3+] ZINC000248095889 345340034 /nfs/dbraw/zinc/34/00/34/345340034.db2.gz YBAZGHYUPUSWSR-IUCAKERBSA-N 1 0 211.334 1.627 10 0 BDAERO [NH3+]C[C@@](O)(C1CCSCC1)C(F)(F)F ZINC000675054443 537895275 /nfs/dbraw/zinc/89/52/75/537895275.db2.gz VENLLPRGOCUEBS-SSDOTTSWSA-N 1 0 229.267 1.382 10 0 BDAERO Cc1ccc([C@@H](C[NH3+])N2CCOC[C@@H]2C)o1 ZINC000035774675 178856773 /nfs/dbraw/zinc/85/67/73/178856773.db2.gz MYLPZKXLTQIUGP-GXSJLCMTSA-N 1 0 224.304 1.309 10 0 BDAERO COc1c(NCc2ccccc2)nc[nH+]c1NN ZINC000135003481 345428541 /nfs/dbraw/zinc/42/85/41/345428541.db2.gz GNFHOVBLJINQBZ-UHFFFAOYSA-N 1 0 245.286 1.383 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1cocn1 ZINC000616692403 345556389 /nfs/dbraw/zinc/55/63/89/345556389.db2.gz QAPPHZSZCVIACB-CQSZACIVSA-N 1 0 243.310 1.581 10 0 BDAERO Cc1ccc([C@H]([NH3+])[C@@H](C)n2cncn2)cc1 ZINC000023071297 178908205 /nfs/dbraw/zinc/90/82/05/178908205.db2.gz HBEWUYTXZWQSFB-ZYHUDNBSSA-N 1 0 216.288 1.848 10 0 BDAERO COC1=Nc2ccccc2[C@]12CC[N@H+](C)C2 ZINC000205743859 345756843 /nfs/dbraw/zinc/75/68/43/345756843.db2.gz ZUUAQWLDDHDCGQ-CYBMUJFWSA-N 1 0 216.284 1.950 10 0 BDAERO C[C@@H](C[NH3+])Nc1nc2ccc(F)cc2n1C ZINC000212503386 345738303 /nfs/dbraw/zinc/73/83/03/345738303.db2.gz MBIQULQGBBLXNR-ZETCQYMHSA-N 1 0 222.267 1.472 10 0 BDAERO C[N@H+]1CC=C(C(=O)N2CCc3ccccc32)CC1 ZINC000034118019 345817633 /nfs/dbraw/zinc/81/76/33/345817633.db2.gz CJPWMECBMXFGOO-UHFFFAOYSA-N 1 0 242.322 1.838 10 0 BDAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H]1CCOC1 ZINC000159983281 345768227 /nfs/dbraw/zinc/76/82/27/345768227.db2.gz KJJYXNHMROSTOW-YIYPIFLZSA-N 1 0 239.359 1.791 10 0 BDAERO C[NH2+]CCc1c[nH]nc1-c1ccccc1 ZINC000257918714 345778353 /nfs/dbraw/zinc/77/83/53/345778353.db2.gz XWQVMMLRLKSROF-UHFFFAOYSA-N 1 0 201.273 1.839 10 0 BDAERO CNc1noc(C2=C[C@H](C)C[N@H+](C)C2)n1 ZINC000003794221 345792783 /nfs/dbraw/zinc/79/27/83/345792783.db2.gz BTVWOSCFZOZFSV-ZETCQYMHSA-N 1 0 208.265 1.076 10 0 BDAERO C[C@]1(O)CC[N@H+](C[C@@H]2CCCCC2=O)C1 ZINC000235757662 345843418 /nfs/dbraw/zinc/84/34/18/345843418.db2.gz HVDFTFQVBGLVBU-JQWIXIFHSA-N 1 0 211.305 1.202 10 0 BDAERO C[C@H](c1cccc2ncccc21)[C@H](N)C[NH3+] ZINC000141796805 345861292 /nfs/dbraw/zinc/86/12/92/345861292.db2.gz WGOAVGXHEPZJMZ-BXKDBHETSA-N 1 0 215.300 1.624 10 0 BDAERO Nc1ccc2ncn(CC[NH+]3CCCC3)c2c1 ZINC000034544494 345831475 /nfs/dbraw/zinc/83/14/75/345831475.db2.gz WHHFSLVQKHLXFI-UHFFFAOYSA-N 1 0 230.315 1.714 10 0 BDAERO COc1ccc2c(c1)[C@H](CN1CCCC1)[NH2+]CC2 ZINC000034426615 345833033 /nfs/dbraw/zinc/83/30/33/345833033.db2.gz NSEZLPKFRZZGDQ-HNNXBMFYSA-N 1 0 246.354 1.978 10 0 BDAERO CC(=O)c1ccc(OCC[NH+](C)C)c(C)c1O ZINC000137196408 345838909 /nfs/dbraw/zinc/83/89/09/345838909.db2.gz OJICVZBNMBYRIB-UHFFFAOYSA-N 1 0 237.299 1.844 10 0 BDAERO NC[C@@H]([NH3+])C[C@H]1CCc2ccccc2C1 ZINC000169191854 345839064 /nfs/dbraw/zinc/83/90/64/345839064.db2.gz OVTZQVVSWMGEDH-GWCFXTLKSA-N 1 0 204.317 1.468 10 0 BDAERO Cc1ccc([S@@](=O)C[C@H]2CCCC[NH2+]2)nc1 ZINC000095069054 178933650 /nfs/dbraw/zinc/93/36/50/178933650.db2.gz UMXJLJUHCXULJD-BDJLRTHQSA-N 1 0 238.356 1.640 10 0 BDAERO c1cc(C2(CN3CC[NH2+]CC3)CCC2)ccn1 ZINC000143654887 345867078 /nfs/dbraw/zinc/86/70/78/345867078.db2.gz CPEJAKDMXJJZPS-UHFFFAOYSA-N 1 0 231.343 1.409 10 0 BDAERO CCCS(=O)(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000082790472 537921875 /nfs/dbraw/zinc/92/18/75/537921875.db2.gz LMJGMGIRUNCCGU-ZJUUUORDSA-N 1 0 219.350 1.329 10 0 BDAERO COCCCNc1cc(N)[nH+]c(C2CC2)n1 ZINC000087909008 345940239 /nfs/dbraw/zinc/94/02/39/345940239.db2.gz HCQILZDQPJGFTJ-UHFFFAOYSA-N 1 0 222.292 1.385 10 0 BDAERO CNc1cc(N[C@@H](C)COC)nc(C)[nH+]1 ZINC000087807799 345941875 /nfs/dbraw/zinc/94/18/75/345941875.db2.gz ZAZWAXFJYVCIME-ZETCQYMHSA-N 1 0 210.281 1.274 10 0 BDAERO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2CO)o1 ZINC000628218265 345948385 /nfs/dbraw/zinc/94/83/85/345948385.db2.gz ZPVAFKGUDFMOHS-CMPLNLGQSA-N 1 0 224.304 1.624 10 0 BDAERO Cc1ccc2c(c1)NC(=O)[C@@]21CC[NH2+]C1 ZINC000107144442 178947557 /nfs/dbraw/zinc/94/75/57/178947557.db2.gz GKKYZSZUOCKPHT-GFCCVEGCSA-N 1 0 202.257 1.178 10 0 BDAERO O=C1OCC[C@@H]2C[N@@H+](CCCCl)C[C@@H]12 ZINC000146319853 345966371 /nfs/dbraw/zinc/96/63/71/345966371.db2.gz YJUBTURIGYLJCK-RKDXNWHRSA-N 1 0 217.696 1.110 10 0 BDAERO COC[C@@H](C)C[NH2+]C[C@@H]1CC12CCOCC2 ZINC000381472280 346009220 /nfs/dbraw/zinc/00/92/20/346009220.db2.gz PAQMCHPOTBFIOQ-RYUDHWBXSA-N 1 0 227.348 1.675 10 0 BDAERO Cc1cccc([C@@H]([NH3+])C(=O)NC(C)C)c1 ZINC000077299762 537942096 /nfs/dbraw/zinc/94/20/96/537942096.db2.gz FSVUPSDLNJYPLG-LLVKDONJSA-N 1 0 206.289 1.519 10 0 BDAERO CCCS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C)C1 ZINC000082818579 537940337 /nfs/dbraw/zinc/94/03/37/537940337.db2.gz HKZAMYIVMRLKLQ-UWVGGRQHSA-N 1 0 219.350 1.342 10 0 BDAERO C[C@@H]1C[C@@H](C)CC2(CC(=O)O[C@H]2C[NH3+])C1 ZINC000675054573 537947070 /nfs/dbraw/zinc/94/70/70/537947070.db2.gz VZHWLEJDRIPCMN-BBBLOLIVSA-N 1 0 211.305 1.703 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccnn1C1CCC1 ZINC000724492448 537953984 /nfs/dbraw/zinc/95/39/84/537953984.db2.gz VXWUUZLBBKQIBN-LLVKDONJSA-N 1 0 209.293 1.251 10 0 BDAERO Cc1cnc(CNC2=[NH+]CCS2)s1 ZINC000235948695 346174062 /nfs/dbraw/zinc/17/40/62/346174062.db2.gz WVJLSVQFWGLXHS-UHFFFAOYSA-N 1 0 213.331 1.644 10 0 BDAERO COc1cccc([C@@H](CO)[NH2+]CC2CC2)c1 ZINC000038125086 346177030 /nfs/dbraw/zinc/17/70/30/346177030.db2.gz ZPHOVCBGXFBEKC-CYBMUJFWSA-N 1 0 221.300 1.728 10 0 BDAERO C[C@@H](CC(N)=S)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061918541 346180142 /nfs/dbraw/zinc/18/01/42/346180142.db2.gz RSLKXKMPYLYTMX-IUCAKERBSA-N 1 0 216.350 1.162 10 0 BDAERO Cn1nnc(Br)c1[C@H]1CCC[C@H]1[NH3+] ZINC000236142998 346197290 /nfs/dbraw/zinc/19/72/90/346197290.db2.gz YWFRQMOGWXQKIG-NTSWFWBYSA-N 1 0 245.124 1.172 10 0 BDAERO Cc1cccc(C(=O)N(C)C[C@H](C)C[NH3+])c1 ZINC000042454959 179005621 /nfs/dbraw/zinc/00/56/21/179005621.db2.gz XLNJHBJWKGQCJW-LLVKDONJSA-N 1 0 220.316 1.662 10 0 BDAERO Cc1cccc(=O)n1CC[NH2+]Cc1ccccn1 ZINC000053534041 179003186 /nfs/dbraw/zinc/00/31/86/179003186.db2.gz AGJAFLAYIUTOGZ-UHFFFAOYSA-N 1 0 243.310 1.342 10 0 BDAERO Cc1cccc(C(=O)NCCCCC[NH3+])c1 ZINC000070626753 179016076 /nfs/dbraw/zinc/01/60/76/179016076.db2.gz UBBBOKKJTPZNLD-UHFFFAOYSA-N 1 0 220.316 1.854 10 0 BDAERO Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000038048685 179024619 /nfs/dbraw/zinc/02/46/19/179024619.db2.gz VVHRBHPRRCJDCR-QWRGUYRKSA-N 1 0 233.315 1.390 10 0 BDAERO CC(C)(C[NH3+])[C@@H](O)c1scnc1Cl ZINC000669377666 537966387 /nfs/dbraw/zinc/96/63/87/537966387.db2.gz WECUVQCCMSJEJB-LURJTMIESA-N 1 0 220.725 1.815 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)c1ccncc1Br ZINC000669377699 537966467 /nfs/dbraw/zinc/96/64/67/537966467.db2.gz BQZWZOXYEDTNPC-RCOVLWMOSA-N 1 0 245.120 1.472 10 0 BDAERO CC[C@H](C[NH3+])[C@]1(O)CCCC2(C1)OCCO2 ZINC000669377883 537966635 /nfs/dbraw/zinc/96/66/35/537966635.db2.gz IRYITQFRIBVERP-MNOVXSKESA-N 1 0 229.320 1.020 10 0 BDAERO CCOC(=O)C[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000034483296 346295760 /nfs/dbraw/zinc/29/57/60/346295760.db2.gz CPMSDCMZKCFMKF-NSHDSACASA-N 1 0 235.283 1.575 10 0 BDAERO C[C@H](C1CC1)n1ncc2c1nc[nH+]c2NN ZINC000669377807 537964959 /nfs/dbraw/zinc/96/49/59/537964959.db2.gz XGGYAMFQBLOXLH-ZCFIWIBFSA-N 1 0 218.264 1.083 10 0 BDAERO Cc1nc(CC(=O)[C@@H]2CCC[NH2+]2)cs1 ZINC000167656941 346298486 /nfs/dbraw/zinc/29/84/86/346298486.db2.gz OMBONWCJSRTGBT-VIFPVBQESA-N 1 0 210.302 1.315 10 0 BDAERO CCC[C@@H](C[NH3+])[C@H](O)c1cnsc1 ZINC000669377788 537965929 /nfs/dbraw/zinc/96/59/29/537965929.db2.gz WJSUGWRLBWGHTM-CBAPKCEASA-N 1 0 200.307 1.552 10 0 BDAERO Cc1cccc(C)c1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000274160846 179035906 /nfs/dbraw/zinc/03/59/06/179035906.db2.gz KXOQYNOVIPKPQV-OLZOCXBDSA-N 1 0 235.327 1.231 10 0 BDAERO Cc1cccc(CCC(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000334253719 179052824 /nfs/dbraw/zinc/05/28/24/179052824.db2.gz MGCIDQUXAOYBNY-TZMCWYRMSA-N 1 0 246.354 1.876 10 0 BDAERO CC(C)(C)OCC[N@@H+]1CC[C@H](CCO)C1 ZINC000161606950 346341539 /nfs/dbraw/zinc/34/15/39/346341539.db2.gz IVUSZTUKCCSZFG-LLVKDONJSA-N 1 0 215.337 1.506 10 0 BDAERO Cc1cccc(CN(C)CCC(N)=[NH2+])c1 ZINC000039046732 179064309 /nfs/dbraw/zinc/06/43/09/179064309.db2.gz SXJPTMLDGCKVAF-UHFFFAOYSA-N 1 0 205.305 1.753 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000669378716 537971289 /nfs/dbraw/zinc/97/12/89/537971289.db2.gz NXKDOFSQCYXVFQ-UWVGGRQHSA-N 1 0 227.352 1.410 10 0 BDAERO Cc1cccc(CC[NH2+]CC(=O)N(C)C(C)C)c1 ZINC000051670248 179058440 /nfs/dbraw/zinc/05/84/40/179058440.db2.gz QJSNPZRHSXLGDW-UHFFFAOYSA-N 1 0 248.370 1.994 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)CC1CC1 ZINC000669378764 537973473 /nfs/dbraw/zinc/97/34/73/537973473.db2.gz LXRGWYPGYILYDI-MWLCHTKSSA-N 1 0 210.321 1.148 10 0 BDAERO C[NH2+]CCN(C(C)C)S(=O)(=O)C1CCCC1 ZINC000669379201 537975094 /nfs/dbraw/zinc/97/50/94/537975094.db2.gz WWZWPDKYXIDFJM-UHFFFAOYSA-N 1 0 248.392 1.189 10 0 BDAERO C[C@]([NH3+])(CCNC(=O)C1(C)CC1)C(F)F ZINC000669379045 537975774 /nfs/dbraw/zinc/97/57/74/537975774.db2.gz URBPBDMYAHYZNU-JTQLQIEISA-N 1 0 220.263 1.275 10 0 BDAERO C[C@H](C(=O)NC12CC([NH3+])(C1)C2)C(C)(C)C ZINC000725241173 537976549 /nfs/dbraw/zinc/97/65/49/537976549.db2.gz ASKUGPDKSFAFSK-HUUUCTMMSA-N 1 0 210.321 1.419 10 0 BDAERO CC(C)(C)NC(=O)N[C@](C)(CC[NH3+])C(F)F ZINC000669379310 537977915 /nfs/dbraw/zinc/97/79/15/537977915.db2.gz BRBADSKJJOCRQL-SNVBAGLBSA-N 1 0 237.294 1.457 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000300363679 346432054 /nfs/dbraw/zinc/43/20/54/346432054.db2.gz WKXBFIUWIGWKOM-HBNTYKKESA-N 1 0 212.337 1.537 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC2)C1 ZINC000246409285 537979686 /nfs/dbraw/zinc/97/96/86/537979686.db2.gz LWOJPMLMXOTGKY-WDEREUQCSA-N 1 0 225.336 1.130 10 0 BDAERO Cc1cccc(C[NH2+]C2CCS(=O)CC2)n1 ZINC000051575663 179089847 /nfs/dbraw/zinc/08/98/47/179089847.db2.gz NDLHIQKIKCIUHE-UHFFFAOYSA-N 1 0 238.356 1.391 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000170858266 346462920 /nfs/dbraw/zinc/46/29/20/346462920.db2.gz FDNJALFJTOYKKR-VXGBXAGGSA-N 1 0 222.332 1.505 10 0 BDAERO Cc1cccc(C[NH2+]CCc2nncn2C)c1C ZINC000104070610 179091614 /nfs/dbraw/zinc/09/16/14/179091614.db2.gz JZMSGWBZEXJNRK-UHFFFAOYSA-N 1 0 244.342 1.764 10 0 BDAERO Cc1cccc(C[NH2+]C[C@@H]2CCOC2)n1 ZINC000051574218 179094264 /nfs/dbraw/zinc/09/42/64/179094264.db2.gz KLQHBGRICRTZOY-NSHDSACASA-N 1 0 206.289 1.516 10 0 BDAERO Cc1cccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c1 ZINC000282455641 179101911 /nfs/dbraw/zinc/10/19/11/179101911.db2.gz SSIAASWKRATDDA-AAEUAGOBSA-N 1 0 232.327 1.752 10 0 BDAERO Cc1cccc(CNc2cc(N)cc[nH+]2)n1 ZINC000051575153 179102292 /nfs/dbraw/zinc/10/22/92/179102292.db2.gz LUHCULHBXDSAHY-UHFFFAOYSA-N 1 0 214.272 1.979 10 0 BDAERO CCCN1CC[C@H]([NH3+])[C@@H]1c1cncs1 ZINC000161712493 346497374 /nfs/dbraw/zinc/49/73/74/346497374.db2.gz HKTGWEUICAPQJI-WCBMZHEXSA-N 1 0 211.334 1.627 10 0 BDAERO Cc1cccc(Cn2nnnc2C[NH2+]C(C)C)c1 ZINC000054746288 179110123 /nfs/dbraw/zinc/11/01/23/179110123.db2.gz JZIWWUSLOVMJCQ-UHFFFAOYSA-N 1 0 245.330 1.528 10 0 BDAERO COC[C@H](C)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000187119073 346557366 /nfs/dbraw/zinc/55/73/66/346557366.db2.gz LFBPVJITCPGSGD-LLVKDONJSA-N 1 0 237.347 1.872 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1C[C@H]1CCC ZINC000300375846 346531079 /nfs/dbraw/zinc/53/10/79/346531079.db2.gz DKNZWOYFEFRTPL-UPJWGTAASA-N 1 0 229.364 1.942 10 0 BDAERO [NH3+][C@@H](Cc1ccncc1)c1cnns1 ZINC000163844326 346578987 /nfs/dbraw/zinc/57/89/87/346578987.db2.gz FCOIYXMOBZEPAU-QMMMGPOBSA-N 1 0 206.274 1.176 10 0 BDAERO [NH3+][C@H](Cc1ccncc1)[C@@H]1CCSC1 ZINC000163845825 346580039 /nfs/dbraw/zinc/58/00/39/346580039.db2.gz XOUOPMQYQKBCBZ-GHMZBOCLSA-N 1 0 208.330 1.705 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COC(C)C ZINC000300393955 346612891 /nfs/dbraw/zinc/61/28/91/346612891.db2.gz YKHULBBOIGOPST-WOPDTQHZSA-N 1 0 215.337 1.551 10 0 BDAERO CC[C@H](CCO)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000380053836 365832677 /nfs/dbraw/zinc/83/26/77/365832677.db2.gz XUICVLZIFRIAND-GHMZBOCLSA-N 1 0 217.353 1.392 10 0 BDAERO Cc1cccc(NC(=O)CSCC[NH3+])c1C ZINC000019687289 179129688 /nfs/dbraw/zinc/12/96/88/179129688.db2.gz BBBDPTODFYWNKF-UHFFFAOYSA-N 1 0 238.356 1.934 10 0 BDAERO CC[C@@H]1C[C@H]1C[NH2+]CC1(O)CCOCC1 ZINC000580185713 346634483 /nfs/dbraw/zinc/63/44/83/346634483.db2.gz TTWBGZFBBRDVMK-MNOVXSKESA-N 1 0 213.321 1.164 10 0 BDAERO CS[C@H](C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000308153852 346706144 /nfs/dbraw/zinc/70/61/44/346706144.db2.gz SGLYVDOGYFSCFX-RKDXNWHRSA-N 1 0 205.367 1.735 10 0 BDAERO CC[C@H](O)c1ccc(F)c(N2CC[NH2+]CC2)c1 ZINC000167344042 346706298 /nfs/dbraw/zinc/70/62/98/346706298.db2.gz IRCJSLGQPMBMGY-ZDUSSCGKSA-N 1 0 238.306 1.679 10 0 BDAERO Cc1cn(-c2ccccc2)nc1CC[NH3+] ZINC000206064262 346723154 /nfs/dbraw/zinc/72/31/54/346723154.db2.gz DMXUFTSJQGDLTO-UHFFFAOYSA-N 1 0 201.273 1.682 10 0 BDAERO CSC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000158819147 346760578 /nfs/dbraw/zinc/76/05/78/346760578.db2.gz NLTPNOMEHQWQJL-AEJSXWLSSA-N 1 0 230.377 1.229 10 0 BDAERO CC(C)[C@@](C)(C[NH3+])N1CCCOC1=O ZINC000168768150 346743135 /nfs/dbraw/zinc/74/31/35/346743135.db2.gz YGEDLCKMRCUZSL-SNVBAGLBSA-N 1 0 200.282 1.202 10 0 BDAERO Cc1cccc(OCC[C@H](C[NH3+])N(C)C)c1C ZINC000019663838 179169492 /nfs/dbraw/zinc/16/94/92/179169492.db2.gz VHQLTALFHAUYDA-CYBMUJFWSA-N 1 0 236.359 1.961 10 0 BDAERO OC[C@@H]1C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000378667350 346801077 /nfs/dbraw/zinc/80/10/77/346801077.db2.gz HEZQBNNCWHARGE-GXSJLCMTSA-N 1 0 211.692 1.810 10 0 BDAERO Cc1cccc(OCC[C@@](C)(O)C[NH3+])c1C ZINC000019668289 179170113 /nfs/dbraw/zinc/17/01/13/179170113.db2.gz MXRGNXYGCLTBTE-CYBMUJFWSA-N 1 0 223.316 1.782 10 0 BDAERO Cc1cccc(O[C@H]2CC[NH2+]C[C@H]2O)c1C ZINC000005782398 179175898 /nfs/dbraw/zinc/17/58/98/179175898.db2.gz ZHFIAFNZGWCLHU-YPMHNXCESA-N 1 0 221.300 1.405 10 0 in-man BDAERO Cc1cccc([C@@H]([NH2+]C(C)C)C(N)=O)c1C ZINC000043315252 179186479 /nfs/dbraw/zinc/18/64/79/179186479.db2.gz OQFHSUNWMASTDB-GFCCVEGCSA-N 1 0 220.316 1.828 10 0 BDAERO COc1cc2c(cc1OCC[NH+](C)C)NCC2 ZINC000038953772 347171628 /nfs/dbraw/zinc/17/16/28/347171628.db2.gz PHFLYYJBZVVROU-UHFFFAOYSA-N 1 0 236.315 1.604 10 0 BDAERO Cc1cccc([C@@H]([NH3+])[C@@H]2CCS(=O)(=O)C2)c1 ZINC000043299950 179186761 /nfs/dbraw/zinc/18/67/61/179186761.db2.gz MEJUTHXORXFFJQ-VXGBXAGGSA-N 1 0 239.340 1.430 10 0 BDAERO [NH3+]CC1CCN(c2cccc3c2OCCO3)CC1 ZINC000039122216 347179606 /nfs/dbraw/zinc/17/96/06/347179606.db2.gz SPGCWICMMCAICQ-UHFFFAOYSA-N 1 0 248.326 1.633 10 0 BDAERO Cc1cccc([C@@H](C)[NH2+]CC(=O)NC2CC2)c1 ZINC000037262914 179180994 /nfs/dbraw/zinc/18/09/94/179180994.db2.gz XHMNSCGMEHFFOT-LLVKDONJSA-N 1 0 232.327 1.924 10 0 BDAERO CC[NH2+][C@H](C)CNc1nc(C)cc(C(C)C)n1 ZINC000395685808 362795658 /nfs/dbraw/zinc/79/56/58/362795658.db2.gz CJUJBHWWBNIUMC-LLVKDONJSA-N 1 0 236.363 1.740 10 0 BDAERO CC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250512376 362807380 /nfs/dbraw/zinc/80/73/80/362807380.db2.gz CVFZQRKXCACTBB-NWDGAFQWSA-N 1 0 211.305 1.202 10 0 BDAERO Cc1cccc([C@H](C[NH3+])Sc2nncn2C)c1 ZINC000042969785 179199250 /nfs/dbraw/zinc/19/92/50/179199250.db2.gz USAAGRLCNQACBB-NSHDSACASA-N 1 0 248.355 1.916 10 0 BDAERO Cc1cccc([C@H](C[NH3+])N(C)CC(=O)N(C)C)c1 ZINC000042966113 179199435 /nfs/dbraw/zinc/19/94/35/179199435.db2.gz LZTTZMBOIWIRHB-ZDUSSCGKSA-N 1 0 249.358 1.015 10 0 BDAERO CC[C@](C)(OC)[C@@H]1[NH2+]CCc2ncn(C)c21 ZINC000725242814 537989102 /nfs/dbraw/zinc/98/91/02/537989102.db2.gz VZZCJDQFVYSCKS-NEPJUHHUSA-N 1 0 223.320 1.422 10 0 BDAERO CC[NH+](CC)CCCN1[C@@H](C)COC[C@@H]1C ZINC000191507236 347352997 /nfs/dbraw/zinc/35/29/97/347352997.db2.gz VDBQHIMWZSDLCC-STQMWFEESA-N 1 0 228.380 1.828 10 0 BDAERO CCOc1ccccc1[C@@H]([NH3+])CC(=O)OC ZINC000019784023 347355600 /nfs/dbraw/zinc/35/56/00/347355600.db2.gz CTYYUTQJPDWHDO-JTQLQIEISA-N 1 0 223.272 1.648 10 0 BDAERO c1cc2c(o1)CC[NH2+][C@]21C[C@@H]2COC[C@@H]21 ZINC000725242877 537989215 /nfs/dbraw/zinc/98/92/15/537989215.db2.gz NDQKJXXAAUYQJV-UBHAPETDSA-N 1 0 205.257 1.287 10 0 BDAERO Cc1cccc2c1S(=O)(=O)[C@@H](C)C[C@@H]2[NH3+] ZINC000037665954 179222935 /nfs/dbraw/zinc/22/29/35/179222935.db2.gz AERSWKTWPUNHOR-WPRPVWTQSA-N 1 0 225.313 1.561 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](CC)C1 ZINC000193252153 347393902 /nfs/dbraw/zinc/39/39/02/347393902.db2.gz OAIBNEZBWUHYQP-QWHCGFSZSA-N 1 0 229.364 1.896 10 0 BDAERO CCCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000616568614 347449884 /nfs/dbraw/zinc/44/98/84/347449884.db2.gz BZLOINQAVPSYME-VXGBXAGGSA-N 1 0 226.364 1.927 10 0 BDAERO C[C@H](O[C@@H]1COCC[C@H]1[NH3+])C(F)(F)F ZINC000251071874 362835476 /nfs/dbraw/zinc/83/54/76/362835476.db2.gz SMJCECNOPYALHJ-RRKCRQDMSA-N 1 0 213.199 1.070 10 0 BDAERO [NH3+][C@@H]1CC[C@H]([S@](=O)C2CCCC2)C1 ZINC000251093590 362836777 /nfs/dbraw/zinc/83/67/77/362836777.db2.gz IRLRBISJYLFGIN-DFAYQTQMSA-N 1 0 201.335 1.558 10 0 BDAERO C[C@H](C(N)=S)[N@H+](C)[C@H]1CCSC1 ZINC000251079052 362837199 /nfs/dbraw/zinc/83/71/99/362837199.db2.gz VHFVSPSQKZYHKJ-RQJHMYQMSA-N 1 0 204.364 1.098 10 0 BDAERO CCOCCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000388468755 347418416 /nfs/dbraw/zinc/41/84/16/347418416.db2.gz LIBRTVKCKVMYPS-LBPRGKRZSA-N 1 0 242.363 1.309 10 0 BDAERO CCC[C@@](C)(CO)[NH2+]CC1CCOCC1 ZINC000165635376 133666350 /nfs/dbraw/zinc/66/63/50/133666350.db2.gz AKCOQYNHRLHUDT-LBPRGKRZSA-N 1 0 215.337 1.554 10 0 BDAERO c1ccc2c(c1)ncnc2NC[C@H]1CCC[NH2+]1 ZINC000053255412 347442464 /nfs/dbraw/zinc/44/24/64/347442464.db2.gz NWFXEIQUSYYOLU-SNVBAGLBSA-N 1 0 228.299 1.794 10 0 BDAERO Cc1ccccc1C(=O)N(CC[NH3+])C(C)C ZINC000020183208 179245430 /nfs/dbraw/zinc/24/54/30/179245430.db2.gz UPMJEXJVYQQUHE-UHFFFAOYSA-N 1 0 220.316 1.804 10 0 BDAERO Cc1ccccc1-c1nn(C)cc1C[NH3+] ZINC000082638984 179239428 /nfs/dbraw/zinc/23/94/28/179239428.db2.gz WQOAXRSYLYHSFK-UHFFFAOYSA-N 1 0 201.273 1.854 10 0 BDAERO C[C@@H]1OCC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000149772015 347516413 /nfs/dbraw/zinc/51/64/13/347516413.db2.gz GSRJFMJBLOARQZ-SRVKXCTJSA-N 1 0 240.347 1.060 10 0 BDAERO CCOC(=O)c1ccc(N(C)[C@@H](C)C[NH3+])nc1 ZINC000383024978 347570646 /nfs/dbraw/zinc/57/06/46/347570646.db2.gz XTKFXKWSODSSLU-VIFPVBQESA-N 1 0 237.303 1.042 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(OC)cc1OC ZINC000036779467 347576158 /nfs/dbraw/zinc/57/61/58/347576158.db2.gz QRAQXGSZRPSRHU-PWSUYJOCSA-N 1 0 225.288 1.475 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC1CC1 ZINC000616569274 347643380 /nfs/dbraw/zinc/64/33/80/347643380.db2.gz IBRQUUOZMNBMCJ-GHMZBOCLSA-N 1 0 210.321 1.291 10 0 BDAERO Cc1ccccc1CN(C)[C@]1(C[NH3+])CCOC1 ZINC000104070770 179268545 /nfs/dbraw/zinc/26/85/45/179268545.db2.gz QVFQKUBXALBMOZ-AWEZNQCLSA-N 1 0 234.343 1.545 10 0 BDAERO [NH3+]CC[C@H]1C(=O)Nc2c1ccc(F)c2F ZINC000616569476 347699458 /nfs/dbraw/zinc/69/94/58/347699458.db2.gz LOTGKRKJWRMXCU-ZCFIWIBFSA-N 1 0 212.199 1.349 10 0 BDAERO CC(C)SCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000592291351 347765433 /nfs/dbraw/zinc/76/54/33/347765433.db2.gz LYUWTFLDWZELIQ-ZACCUICWSA-N 1 0 242.388 1.527 10 0 BDAERO CCCNC(=O)NCC[C@](C)([NH3+])C(F)F ZINC000669380912 537992545 /nfs/dbraw/zinc/99/25/45/537992545.db2.gz RWIKBVWIRYRWIO-VIFPVBQESA-N 1 0 223.267 1.068 10 0 BDAERO Cc1ccccc1Cc1nc(CC[NH3+])cc(=O)[nH]1 ZINC000058055832 179293409 /nfs/dbraw/zinc/29/34/09/179293409.db2.gz SJEYUOWDAYHTQG-UHFFFAOYSA-N 1 0 243.310 1.170 10 0 BDAERO CC(C)C(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616569836 347849113 /nfs/dbraw/zinc/84/91/13/347849113.db2.gz KUEJOUCTOUZLAK-KGLIPLIRSA-N 1 0 246.354 1.986 10 0 BDAERO CC(C)C(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616569837 347849222 /nfs/dbraw/zinc/84/92/22/347849222.db2.gz KUEJOUCTOUZLAK-UONOGXRCSA-N 1 0 246.354 1.986 10 0 BDAERO Cc1ccccc1NC(=O)C[C@@H](C)C[NH3+] ZINC000076583683 179298326 /nfs/dbraw/zinc/29/83/26/179298326.db2.gz INTGXJGFRQJLMD-SECBINFHSA-N 1 0 206.289 1.918 10 0 BDAERO Cc1ccccc1NC(=O)CN(C)C[C@H](C)C[NH3+] ZINC000042455921 179299131 /nfs/dbraw/zinc/29/91/31/179299131.db2.gz UPFWSWGJFXJWGB-LLVKDONJSA-N 1 0 249.358 1.460 10 0 BDAERO O=C(C1CCCCC1)N1CCC2(C[NH2+]C2)CC1 ZINC000616570150 347914290 /nfs/dbraw/zinc/91/42/90/347914290.db2.gz FGQHILOMQKEMCQ-UHFFFAOYSA-N 1 0 236.359 1.779 10 0 BDAERO NC(=[NH2+])c1cc2c(c(Br)c1)OCO2 ZINC000036897294 347968736 /nfs/dbraw/zinc/96/87/36/347968736.db2.gz JJFABOXFVNFASB-UHFFFAOYSA-N 1 0 243.060 1.462 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237631880 179330492 /nfs/dbraw/zinc/33/04/92/179330492.db2.gz JZSAOOOHKIFEEW-XBFCOCLRSA-N 1 0 244.338 1.658 10 0 BDAERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)C[NH3+] ZINC000246664898 179330549 /nfs/dbraw/zinc/33/05/49/179330549.db2.gz DROFMPMLKGBSFB-XBFCOCLRSA-N 1 0 246.354 1.904 10 0 BDAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(CCO)C1CC1 ZINC000043037123 179347682 /nfs/dbraw/zinc/34/76/82/179347682.db2.gz MFDFWDSDOIEKIJ-WFASDCNBSA-N 1 0 248.370 1.840 10 0 BDAERO Cc1cccnc1-c1nc(C[C@@H](C)[NH3+])no1 ZINC000054161097 179355945 /nfs/dbraw/zinc/35/59/45/179355945.db2.gz PJODQYSLLDWPKA-MRVPVSSYSA-N 1 0 218.260 1.330 10 0 BDAERO Cc1cccn(C[C@@H]2CCC[NH2+]C2)c1=O ZINC000057871661 179352270 /nfs/dbraw/zinc/35/22/70/179352270.db2.gz HFXATSWYPAVYEC-LLVKDONJSA-N 1 0 206.289 1.156 10 0 BDAERO CCc1nc(CN[C@@H]2C[C@H]2CO)cs1 ZINC000308629791 323176385 /nfs/dbraw/zinc/17/63/85/323176385.db2.gz YMOLWRKLBIOMLS-IONNQARKSA-N 1 0 212.318 1.176 10 0 BDAERO CS[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616571540 348199636 /nfs/dbraw/zinc/19/96/36/348199636.db2.gz ZBNWIUQTIHVCBV-GSVOUGTGSA-N 1 0 209.183 1.874 10 0 BDAERO CCSC1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000595260082 348206335 /nfs/dbraw/zinc/20/63/35/348206335.db2.gz UFATYMYRNQBYFG-NXEZZACHSA-N 1 0 242.388 1.516 10 0 BDAERO Cc1cccnc1CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235343768 179376781 /nfs/dbraw/zinc/37/67/81/179376781.db2.gz XVZRLTPPYZDAFL-DGCLKSJQSA-N 1 0 233.359 1.949 10 0 BDAERO CC(C)[NH2+]C[C@@H](O)C(Cl)(Cl)Cl ZINC000669382568 538001753 /nfs/dbraw/zinc/00/17/53/538001753.db2.gz MMELUXAZEOTBHG-RXMQYKEDSA-N 1 0 220.527 1.716 10 0 BDAERO Cc1cccnc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335595639 179392009 /nfs/dbraw/zinc/39/20/09/179392009.db2.gz FRNZIGQTJKYSLT-QWRGUYRKSA-N 1 0 233.315 1.717 10 0 BDAERO Cc1cccnc1NC(=O)[C@@H]([NH3+])CC(C)C ZINC000040458846 179392857 /nfs/dbraw/zinc/39/28/57/179392857.db2.gz IBOYQHBYLWJPFO-JTQLQIEISA-N 1 0 221.304 1.702 10 0 BDAERO Cc1cccnc1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000335595640 179393244 /nfs/dbraw/zinc/39/32/44/179393244.db2.gz FRNZIGQTJKYSLT-WDEREUQCSA-N 1 0 233.315 1.717 10 0 BDAERO C[C@@H](O[C@@H]1CC[NH2+]C[C@H]1C)C(F)(F)F ZINC000251572818 362886898 /nfs/dbraw/zinc/88/68/98/362886898.db2.gz CBLRTSIWALFHDE-BWZBUEFSSA-N 1 0 211.227 1.952 10 0 BDAERO C[C@H](C[NH3+])[S@@](=O)[C@H]1CCC[C@@H](C)C1 ZINC000251584822 362888251 /nfs/dbraw/zinc/88/82/51/362888251.db2.gz CCQIHOPTNWVUBQ-ORXSELOVSA-N 1 0 203.351 1.661 10 0 BDAERO CC[C@@H]1CC[C@@H]2[NH2+]CC[S@](=O)[C@H]2C1 ZINC000251766344 362909268 /nfs/dbraw/zinc/90/92/68/362909268.db2.gz VPZVLYLXGBNEMS-QYTUQVAYSA-N 1 0 201.335 1.286 10 0 BDAERO Cc1ccn(CC[NH2+]C(C2CC2)C2CC2)c(=O)c1 ZINC000061909798 179409864 /nfs/dbraw/zinc/40/98/64/179409864.db2.gz ZLUDXPIIROPBGT-UHFFFAOYSA-N 1 0 246.354 1.935 10 0 BDAERO O=C(N[C@@H]1CCC[C@@H]2C[NH2+]CC[C@H]12)C1CC1 ZINC000669382004 538003334 /nfs/dbraw/zinc/00/33/34/538003334.db2.gz DRPRNMPNQCTYHB-GRYCIOLGSA-N 1 0 222.332 1.291 10 0 BDAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CCCC(=O)C1 ZINC000725245886 538004164 /nfs/dbraw/zinc/00/41/64/538004164.db2.gz YVYMKKIEAGXLDT-GFCCVEGCSA-N 1 0 227.304 1.416 10 0 BDAERO C[C@@H]1CCN(Cc2ccsc2)C[C@H]1[NH3+] ZINC000251818538 362928452 /nfs/dbraw/zinc/92/84/52/362928452.db2.gz ZMXGYVVWJPVUBQ-MWLCHTKSSA-N 1 0 210.346 1.917 10 0 BDAERO O=c1cc([C@@H]2CC[NH2+]C2)nc(CC2CC2)[nH]1 ZINC000669383334 538008429 /nfs/dbraw/zinc/00/84/29/538008429.db2.gz SQGYAHXQHDMPKR-SECBINFHSA-N 1 0 219.288 1.212 10 0 BDAERO CCOC(=O)[C@H]1OC12CCC([NH+](C)C)CC2 ZINC000669383398 538007915 /nfs/dbraw/zinc/00/79/15/538007915.db2.gz PZGGCDSYJOVVEC-SQLBVSGCSA-N 1 0 227.304 1.191 10 0 BDAERO CCc1cc2nc(C3C[NH2+]C3)nn2c(Cl)c1 ZINC000725246891 538009263 /nfs/dbraw/zinc/00/92/63/538009263.db2.gz ZYJJYOGIWGAGCV-UHFFFAOYSA-N 1 0 236.706 1.632 10 0 BDAERO NNC1CC[NH+](CCc2ccccc2)CC1 ZINC000037462141 348615125 /nfs/dbraw/zinc/61/51/25/348615125.db2.gz YFQZEIGKFJXCNM-UHFFFAOYSA-N 1 0 219.332 1.157 10 0 BDAERO CCCN1C[C@]2(C[C@H]2[NH3+])c2ccccc21 ZINC000725247048 538011148 /nfs/dbraw/zinc/01/11/48/538011148.db2.gz FXUCPFKIKXYYJL-CHWSQXEVSA-N 1 0 202.301 1.885 10 0 BDAERO CC(C)C(=O)N[C@@H]1CCC[C@@H]2C[NH2+]CC[C@@H]12 ZINC000669383342 538011149 /nfs/dbraw/zinc/01/11/49/538011149.db2.gz TVTPQOGOLQNZEB-IJLUTSLNSA-N 1 0 224.348 1.537 10 0 BDAERO [NH3+]Cc1ccc(Cl)c(N2CCC(=O)CC2)n1 ZINC000669383862 538013055 /nfs/dbraw/zinc/01/30/55/538013055.db2.gz ZJAZYUUSOQMGJL-UHFFFAOYSA-N 1 0 239.706 1.363 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000054076770 348880066 /nfs/dbraw/zinc/88/00/66/348880066.db2.gz NQANLEYRZJBWMK-JLLWLGSASA-N 1 0 218.300 1.267 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC(C)(C)CC(C)(C)C ZINC000054074337 348889580 /nfs/dbraw/zinc/88/95/80/348889580.db2.gz POVNDLLZEVUBPJ-SECBINFHSA-N 1 0 214.353 1.925 10 0 BDAERO Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N)cc1F ZINC000669384691 538016927 /nfs/dbraw/zinc/01/69/27/538016927.db2.gz BLCNFDTWVJJUIV-CMPLNLGQSA-N 1 0 208.280 1.538 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(O)c1 ZINC000399244333 323201484 /nfs/dbraw/zinc/20/14/84/323201484.db2.gz JUWCQULFOONLPB-GXFFZTMASA-N 1 0 221.300 1.737 10 0 BDAERO Cc1cnn(C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)c1 ZINC000052576991 179743078 /nfs/dbraw/zinc/74/30/78/179743078.db2.gz VFJKYXFRBXTPTA-CHWSQXEVSA-N 1 0 235.331 1.491 10 0 BDAERO c1coc(-c2noc(C[C@@H]3CCC[NH2+]C3)n2)c1 ZINC000054445263 349033367 /nfs/dbraw/zinc/03/33/67/349033367.db2.gz CJSVNJRDASLJJV-VIFPVBQESA-N 1 0 233.271 1.872 10 0 BDAERO OC[C@]1(c2ccc(F)cc2F)CC[NH2+]C1 ZINC000616574435 349079108 /nfs/dbraw/zinc/07/91/08/349079108.db2.gz PCUZXVRPZKIKQJ-NSHDSACASA-N 1 0 213.227 1.188 10 0 BDAERO CC(=O)NCc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000616576580 349102118 /nfs/dbraw/zinc/10/21/18/349102118.db2.gz WDKRBRLTVPNMPS-LLVKDONJSA-N 1 0 219.288 1.142 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000616576664 349102818 /nfs/dbraw/zinc/10/28/18/349102818.db2.gz AQPOMPUVHUSECY-JHJVBQTASA-N 1 0 221.300 1.696 10 0 BDAERO CC[C@@H]1CCN(C(=O)[C@H](C)C(C)C)C[C@H]1[NH3+] ZINC000616573042 349064655 /nfs/dbraw/zinc/06/46/55/349064655.db2.gz YQHKAQCWARKAPH-IJLUTSLNSA-N 1 0 226.364 1.864 10 0 BDAERO CC(C)C[NH2+][C@H]1C2CCN(CC2)C12CC2 ZINC000616577801 349119333 /nfs/dbraw/zinc/11/93/33/349119333.db2.gz MGHZXIPHUNNROC-LBPRGKRZSA-N 1 0 208.349 1.859 10 0 BDAERO COC(=O)CCCC[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000599338202 349151269 /nfs/dbraw/zinc/15/12/69/349151269.db2.gz QMBBPLCGXJWOLM-VXGBXAGGSA-N 1 0 242.363 1.212 10 0 BDAERO CO[C@]1(COc2ccc(C)cc2)CC[NH2+]C1 ZINC000616579094 349129790 /nfs/dbraw/zinc/12/97/90/349129790.db2.gz PIIKVCJTWHOCJD-CYBMUJFWSA-N 1 0 221.300 1.752 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])O1 ZINC000251921574 349193590 /nfs/dbraw/zinc/19/35/90/349193590.db2.gz UREKYOUPXOZESV-WRWGMCAJSA-N 1 0 240.347 1.188 10 0 BDAERO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000251934138 349194221 /nfs/dbraw/zinc/19/42/21/349194221.db2.gz VOBGJWGGYXKHLR-AXFHLTTASA-N 1 0 228.336 1.044 10 0 BDAERO Cc1[nH]nc(-c2ccccc2)c1CC[NH3+] ZINC000082531510 179810960 /nfs/dbraw/zinc/81/09/60/179810960.db2.gz YJEGOSBZNLOFPQ-UHFFFAOYSA-N 1 0 201.273 1.886 10 0 BDAERO CCOCc1nc2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253486 538037485 /nfs/dbraw/zinc/03/74/85/538037485.db2.gz MAVRUCBZZQSFLL-MRVPVSSYSA-N 1 0 209.293 1.293 10 0 BDAERO CC(C)OCCC[NH2+][C@@H]1COC[C@H]1F ZINC000616581073 349260979 /nfs/dbraw/zinc/26/09/79/349260979.db2.gz CWCOVUWKYVMYNW-NXEZZACHSA-N 1 0 205.273 1.128 10 0 BDAERO F[C@@H]1COC[C@H]1[NH2+]CCOc1ccccc1 ZINC000616581185 349262449 /nfs/dbraw/zinc/26/24/49/349262449.db2.gz JPNKBSUVXXEIRF-VXGBXAGGSA-N 1 0 225.263 1.392 10 0 BDAERO Cc1[nH]nc2c1ncnc2NCCC[NH+](C)C ZINC000041531760 179839828 /nfs/dbraw/zinc/83/98/28/179839828.db2.gz GFURGGHATFXVLS-UHFFFAOYSA-N 1 0 234.307 1.025 10 0 BDAERO Fc1cccc2oc(N[C@H]3CC[NH2+]C3)nc21 ZINC000212427928 349331178 /nfs/dbraw/zinc/33/11/78/349331178.db2.gz RLUYFBZCLQTGFX-ZETCQYMHSA-N 1 0 221.235 1.741 10 0 BDAERO Cc1nc(C(C)C)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000045954601 179895758 /nfs/dbraw/zinc/89/57/58/179895758.db2.gz GSYAEGBLKCTGMF-NSHDSACASA-N 1 0 234.347 1.754 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC1CCC(C)(C)CC1 ZINC000070623386 350031868 /nfs/dbraw/zinc/03/18/68/350031868.db2.gz JZRKNVXHKOFKTK-SECBINFHSA-N 1 0 212.337 1.679 10 0 BDAERO CC(C)([NH3+])c1ncc(Br)cn1 ZINC000070948579 350075354 /nfs/dbraw/zinc/07/53/54/350075354.db2.gz UIRDIGDIBQIMQP-UHFFFAOYSA-N 1 0 216.082 1.433 10 0 BDAERO Cc1nn(C)cc1[C@@H]1NC[C@@H](C)CS1 ZINC000128692067 350034266 /nfs/dbraw/zinc/03/42/66/350034266.db2.gz DVPUWVIQVSYSMQ-GMSGAONNSA-N 1 0 211.334 1.700 10 0 BDAERO Cc1cc(C[NH2+]C[C@@H](O)C(C)(C)C)n(C)n1 ZINC000324548419 323241005 /nfs/dbraw/zinc/24/10/05/323241005.db2.gz UHSRGFGXGGMBCR-LLVKDONJSA-N 1 0 225.336 1.225 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])CNC(=O)NC(C)(C)C ZINC000725255071 538050009 /nfs/dbraw/zinc/05/00/09/538050009.db2.gz QMZIGHGEQOZRIE-BDAKNGLRSA-N 1 0 215.341 1.458 10 0 BDAERO Cc1nc(N(C)C)nc(C)c1CCC[NH3+] ZINC000020397260 179996104 /nfs/dbraw/zinc/99/61/04/179996104.db2.gz BAPGZDIQWCLZJS-UHFFFAOYSA-N 1 0 208.309 1.051 10 0 BDAERO CN(C)C(=[NH2+])c1cc(F)c(F)c(F)c1 ZINC000062995236 350111933 /nfs/dbraw/zinc/11/19/33/350111933.db2.gz IGOKIGONTBNEOG-UHFFFAOYSA-N 1 0 202.179 1.991 10 0 BDAERO CC1(C)CC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000395201567 490325366 /nfs/dbraw/zinc/32/53/66/490325366.db2.gz GMLNKMJLNKTLJN-UWVGGRQHSA-N 1 0 224.348 1.809 10 0 BDAERO Cc1nc([C@H]([NH3+])[C@@H]2CCOC2)sc1C ZINC000041059993 180053436 /nfs/dbraw/zinc/05/34/36/180053436.db2.gz PLGKTKDZZUXBOJ-RKDXNWHRSA-N 1 0 212.318 1.796 10 0 BDAERO Cc1nc([C@H]2[C@H](C[NH3+])CCN2C)cs1 ZINC000082964337 180058092 /nfs/dbraw/zinc/05/80/92/180058092.db2.gz ZZULXWVXPBMBQU-WCBMZHEXSA-N 1 0 211.334 1.403 10 0 BDAERO CCNC(=O)NC[C@@H]([NH3+])C1CCCCC1 ZINC000725255203 538050870 /nfs/dbraw/zinc/05/08/70/538050870.db2.gz WEZHYLBSKVCJEV-SNVBAGLBSA-N 1 0 213.325 1.213 10 0 BDAERO Cc1nc2cc(C[NH3+])ccn2c1Br ZINC000083134765 180080536 /nfs/dbraw/zinc/08/05/36/180080536.db2.gz DOEHHXLKFXQSLI-UHFFFAOYSA-N 1 0 240.104 1.864 10 0 BDAERO Cc1nc2ccccn2c1C[NH2+]Cc1cn[nH]c1 ZINC000038006252 180107010 /nfs/dbraw/zinc/10/70/10/180107010.db2.gz INYBDYUEVROQHV-UHFFFAOYSA-N 1 0 241.298 1.656 10 0 BDAERO CC[C@H](C)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257033 538058943 /nfs/dbraw/zinc/05/89/43/538058943.db2.gz FSMJOTJQUHCHSN-QMMMGPOBSA-N 1 0 234.307 1.108 10 0 BDAERO Cc1cnc(N(C)C2CC[NH2+]CC2)nc1Cl ZINC000095070638 191054518 /nfs/dbraw/zinc/05/45/18/191054518.db2.gz IIMFOJXOLLZBIM-UHFFFAOYSA-N 1 0 240.738 1.627 10 0 BDAERO Cc1nc2sccn2c1C[NH2+]C(C)(C)CO ZINC000037239036 180116744 /nfs/dbraw/zinc/11/67/44/180116744.db2.gz CBOXIJNKMAPZTD-UHFFFAOYSA-N 1 0 239.344 1.565 10 0 BDAERO Cc1ncc(CNc2[nH+]ccn2C)s1 ZINC000050606261 180160768 /nfs/dbraw/zinc/16/07/68/180160768.db2.gz WEFRTHSVQPNCML-UHFFFAOYSA-N 1 0 208.290 1.797 10 0 BDAERO Cc1noc(CC[NH2+]Cc2nc(C)ccc2O)n1 ZINC000105469178 191067413 /nfs/dbraw/zinc/06/74/13/191067413.db2.gz WLEOLVIMPWSXRJ-UHFFFAOYSA-N 1 0 248.286 1.119 10 0 BDAERO Cc1nccc(C[NH2+]C[C@H]2CCCOC2)n1 ZINC000054790788 180190203 /nfs/dbraw/zinc/19/02/03/180190203.db2.gz DNIBOHJRMBCUNL-LLVKDONJSA-N 1 0 221.304 1.301 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)C1CCC1 ZINC000316676923 350222682 /nfs/dbraw/zinc/22/26/82/350222682.db2.gz YPQMTWAXZOEYIM-GHMZBOCLSA-N 1 0 215.337 1.144 10 0 BDAERO Cc1nccc(N[C@H]2CCC[N@@H+](C)C2)n1 ZINC000054936100 180206156 /nfs/dbraw/zinc/20/61/56/180206156.db2.gz VJVHZNWFNQYJCD-JTQLQIEISA-N 1 0 206.293 1.291 10 0 BDAERO Cc1nccc(CN2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000044994829 180186293 /nfs/dbraw/zinc/18/62/93/180186293.db2.gz KHJGEUYPYPMNQX-GXSJLCMTSA-N 1 0 220.320 1.097 10 0 BDAERO Cc1nc(C[NH3+])cc(Cc2cccs2)n1 ZINC000074079048 350237501 /nfs/dbraw/zinc/23/75/01/350237501.db2.gz ZNJPBCOMCCNIIL-UHFFFAOYSA-N 1 0 219.313 1.896 10 0 BDAERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)C(N)=S ZINC000221892166 350224819 /nfs/dbraw/zinc/22/48/19/350224819.db2.gz ZFUQARNCJXWVAH-BBBLOLIVSA-N 1 0 214.378 1.887 10 0 BDAERO COC1(OC)CC[C@H](C)C[C@@H]1CC[NH3+] ZINC000725261734 538086779 /nfs/dbraw/zinc/08/67/79/538086779.db2.gz DWCGWKURMCPAFE-UWVGGRQHSA-N 1 0 201.310 1.761 10 0 BDAERO Cc1nccn1CCOc1cccc(C[NH3+])c1 ZINC000037050491 180262865 /nfs/dbraw/zinc/26/28/65/180262865.db2.gz IKXQBTLOGBGUHT-UHFFFAOYSA-N 1 0 231.299 1.729 10 0 BDAERO Cc1nccn1CCOc1cccc(CC[NH3+])c1 ZINC000049331351 180263016 /nfs/dbraw/zinc/26/30/16/180263016.db2.gz JHFWNSNULNEKEM-UHFFFAOYSA-N 1 0 245.326 1.772 10 0 BDAERO CC(C)C[C@H](CO)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000309298993 350269910 /nfs/dbraw/zinc/26/99/10/350269910.db2.gz SMYFJZCYKZYDPY-BDAKNGLRSA-N 1 0 243.269 1.296 10 0 BDAERO COC(C)(C)c1nc2n(c1C[NH3+])CCCC2 ZINC000725260496 538082482 /nfs/dbraw/zinc/08/24/82/538082482.db2.gz UVOCIDZLVOHSLL-UHFFFAOYSA-N 1 0 223.320 1.560 10 0 BDAERO Cc1nccn1[C@H](C[NH3+])c1ccsc1 ZINC000043124115 180270906 /nfs/dbraw/zinc/27/09/06/180270906.db2.gz VCYSBJBNBIEEEZ-SNVBAGLBSA-N 1 0 207.302 1.801 10 0 BDAERO Cc1ncn(C[C@H]2CC[C@@H](C[NH3+])O2)c1C ZINC000052593601 180287502 /nfs/dbraw/zinc/28/75/02/180287502.db2.gz DKFNGJUDDIIQOP-WDEREUQCSA-N 1 0 209.293 1.006 10 0 BDAERO Cc1ncn(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)c1C ZINC000052593721 180287957 /nfs/dbraw/zinc/28/79/57/180287957.db2.gz WNRPJDANHOHDQU-UONOGXRCSA-N 1 0 249.358 1.800 10 0 BDAERO CCN1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324624426 350308560 /nfs/dbraw/zinc/30/85/60/350308560.db2.gz QPCPTKCTTZFZPE-MNOVXSKESA-N 1 0 214.353 1.077 10 0 BDAERO Cc1nccnc1OCCC[C@@H]1CCC[NH2+]C1 ZINC000095069472 180280540 /nfs/dbraw/zinc/28/05/40/180280540.db2.gz CBEMENBJMJNOHO-LBPRGKRZSA-N 1 0 235.331 1.944 10 0 BDAERO CC[C@H]1CCCN1C(=O)n1cc[n+](C)c1 ZINC000037914820 350290986 /nfs/dbraw/zinc/29/09/86/350290986.db2.gz KSFJKXLATMKCPM-JTQLQIEISA-N 1 0 208.285 1.155 10 0 BDAERO CC(C)C[C@@H]([NH2+]Cc1ccccc1)C(N)=O ZINC000037941307 350292910 /nfs/dbraw/zinc/29/29/10/350292910.db2.gz CUCDSXGGOIXQPU-GFCCVEGCSA-N 1 0 220.316 1.676 10 0 BDAERO CC[C@@]1([NH3+])CCCN(C(=O)N[C@@H](C)C(C)C)C1 ZINC000725264251 538090571 /nfs/dbraw/zinc/09/05/71/538090571.db2.gz RRPKJEWHIVOLCS-WCQYABFASA-N 1 0 241.379 1.944 10 0 BDAERO Cc1ncoc1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235619601 180298228 /nfs/dbraw/zinc/29/82/28/180298228.db2.gz IXMXSIIXAIWZLQ-WCBMZHEXSA-N 1 0 237.303 1.182 10 0 BDAERO Cc1ncsc1-c1nc(C[C@@H](C)[NH3+])no1 ZINC000054161233 180302573 /nfs/dbraw/zinc/30/25/73/180302573.db2.gz XUEVEXXNBKUHBH-RXMQYKEDSA-N 1 0 224.289 1.391 10 0 BDAERO Cc1ncsc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335913147 180303181 /nfs/dbraw/zinc/30/31/81/180303181.db2.gz CRRBBYRBTSLFJE-HTQZYQBOSA-N 1 0 225.317 1.013 10 0 BDAERO Cc1ncc(C[NH2+]C[C@H]2CCCC[C@H]2O)o1 ZINC000397928606 362955466 /nfs/dbraw/zinc/95/54/66/362955466.db2.gz SPDRFERUAWXKQA-ZYHUDNBSSA-N 1 0 224.304 1.624 10 0 BDAERO Cc1nn(-c2ccc(C(N)=[NH2+])cn2)c(C)c1Cl ZINC000050586875 180326926 /nfs/dbraw/zinc/32/69/26/180326926.db2.gz MCLPQACUUXTXOS-UHFFFAOYSA-N 1 0 249.705 1.822 10 0 BDAERO Cc1nn(-c2ccc(C[NH3+])cn2)c(C)c1Cl ZINC000050585726 180326986 /nfs/dbraw/zinc/32/69/86/180326986.db2.gz BPTSGZBRVZRLCH-UHFFFAOYSA-N 1 0 236.706 1.996 10 0 BDAERO Cc1ncsc1[C@@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000038061134 180327369 /nfs/dbraw/zinc/32/73/69/180327369.db2.gz UKQJCJLHAIJVRC-PSASIEDQSA-N 1 0 242.344 1.518 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000725264818 538091591 /nfs/dbraw/zinc/09/15/91/538091591.db2.gz FWYRMEJBUVYAFR-VIFPVBQESA-N 1 0 246.301 1.346 10 0 BDAERO Cc1nn(-c2ncccn2)c(C)c1[C@H](C)[NH3+] ZINC000072415706 180332098 /nfs/dbraw/zinc/33/20/98/180332098.db2.gz ZXNWNEXQRUBAAC-ZETCQYMHSA-N 1 0 217.276 1.299 10 0 BDAERO CC[C@@]1(NC(=O)N[C@H](C)C(C)C)CCC[NH2+]C1 ZINC000725264110 538090813 /nfs/dbraw/zinc/09/08/13/538090813.db2.gz KDUORDBPQDYEIM-DGCLKSJQSA-N 1 0 241.379 1.862 10 0 BDAERO Cc1nn(C)c(N(C)CCC(C)C)c1C(N)=[NH2+] ZINC000104319256 180350325 /nfs/dbraw/zinc/35/03/25/180350325.db2.gz ANOMBUNRKQXKQY-UHFFFAOYSA-N 1 0 237.351 1.495 10 0 BDAERO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCO[C@@H]1C ZINC000162719619 180352085 /nfs/dbraw/zinc/35/20/85/180352085.db2.gz BMRCTXUDCLTFOY-SCZZXKLOSA-N 1 0 243.738 1.649 10 0 BDAERO Cc1nn(C)c(N(C)[C@@H](C)C2CC2)c1C[NH3+] ZINC000036786040 180353402 /nfs/dbraw/zinc/35/34/02/180353402.db2.gz KYUOUQBAXUUBBF-VIFPVBQESA-N 1 0 222.336 1.422 10 0 BDAERO C[C@@]1(C(=O)c2cccnc2)CCC[NH2+]C1 ZINC000226339829 350421292 /nfs/dbraw/zinc/42/12/92/350421292.db2.gz UOYMOEKKMWABSW-GFCCVEGCSA-N 1 0 204.273 1.654 10 0 BDAERO Cc1ccnc(N)c1C(=O)C(C)(C)C[NH3+] ZINC000226788327 350454599 /nfs/dbraw/zinc/45/45/99/350454599.db2.gz SPMOUNVUYBGCKZ-UHFFFAOYSA-N 1 0 207.277 1.140 10 0 BDAERO O=Cc1cccc(-c2cnnn2[C@@H]2CC[NH2+]C2)c1 ZINC000725266145 538093832 /nfs/dbraw/zinc/09/38/32/538093832.db2.gz PYOAJUNCYJTNLG-GFCCVEGCSA-N 1 0 242.282 1.292 10 0 BDAERO O=C1CCCCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000227073783 350477827 /nfs/dbraw/zinc/47/78/27/350477827.db2.gz HOETYDLHHVSXHM-RYUDHWBXSA-N 1 0 225.332 1.593 10 0 BDAERO Nc1cc(C2CCC2)nn1C[C@@H]1CCC[NH2+]1 ZINC000409436826 350479469 /nfs/dbraw/zinc/47/94/69/350479469.db2.gz BCJVTIQOYDSZSS-JTQLQIEISA-N 1 0 220.320 1.485 10 0 BDAERO [NH3+]CCc1cn(CCF)nc1-c1cccnc1 ZINC000409436842 350479755 /nfs/dbraw/zinc/47/97/55/350479755.db2.gz BITKZABPSKLPHD-UHFFFAOYSA-N 1 0 234.278 1.416 10 0 BDAERO Cc1nn(C)cc1[C@@H](C[NH3+])c1ccccc1 ZINC000026512882 180381619 /nfs/dbraw/zinc/38/16/19/180381619.db2.gz OGVFWGMWIDRURU-LBPRGKRZSA-N 1 0 215.300 1.819 10 0 BDAERO Cc1nn([C@H]2CCC[C@@H]2O)c(C)c1C[NH3+] ZINC000054599488 180393412 /nfs/dbraw/zinc/39/34/12/180393412.db2.gz QNYOATRKLLWHJO-QWRGUYRKSA-N 1 0 209.293 1.045 10 0 BDAERO C[C@@H]1CC[S@@](=O)[C@@H](C)[C@H](C2CC2)[NH2+]1 ZINC000227558595 350500887 /nfs/dbraw/zinc/50/08/87/350500887.db2.gz HNXFTXDEYMUDFW-DHWQRIIYSA-N 1 0 201.335 1.284 10 0 BDAERO Cc1nn(C[C@@H]2CC[NH2+]C2)c(C)c1Cl ZINC000051890521 180390790 /nfs/dbraw/zinc/39/07/90/180390790.db2.gz HBISVUCMKGCYER-SECBINFHSA-N 1 0 213.712 1.763 10 0 BDAERO Cc1nn(C[C@H]2CCOC2)c(C)c1[C@@H](C)[NH3+] ZINC000054716542 180390798 /nfs/dbraw/zinc/39/07/98/180390798.db2.gz POGDWTQGABNQME-LDYMZIIASA-N 1 0 223.320 1.556 10 0 BDAERO CC(=O)c1ccc(-c2cnnn2C2C[NH2+]C2)cc1 ZINC000725266210 538095093 /nfs/dbraw/zinc/09/50/93/538095093.db2.gz YBIUHHPVCHFHLV-UHFFFAOYSA-N 1 0 242.282 1.292 10 0 BDAERO C[C@@H](C[NH3+])[S@@](=O)c1ccc(F)c(Cl)c1 ZINC000227965134 350520644 /nfs/dbraw/zinc/52/06/44/350520644.db2.gz CJVXHHMRZFNHTP-DXRPGJJCSA-N 1 0 235.711 1.934 10 0 BDAERO Cc1nnc(SC2CC[NH2+]CC2)s1 ZINC000006746835 180439404 /nfs/dbraw/zinc/43/94/04/180439404.db2.gz IWNQUMOSERAKQK-UHFFFAOYSA-N 1 0 215.347 1.691 10 0 BDAERO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C)CCO1 ZINC000616595203 350605939 /nfs/dbraw/zinc/60/59/39/350605939.db2.gz UPJHDEBSJWUMKM-SNVBAGLBSA-N 1 0 244.335 1.532 10 0 BDAERO COCCC[NH2+]CC[C@H](CO)[C@@H]1CCCOC1 ZINC000725267164 538097630 /nfs/dbraw/zinc/09/76/30/538097630.db2.gz UBLVDKRVGVXUDQ-CHWSQXEVSA-N 1 0 245.363 1.038 10 0 BDAERO CC(C)(C)OC(=O)[C@]1(O)CCC(C)(C)C[C@@H]1[NH3+] ZINC000725267246 538097735 /nfs/dbraw/zinc/09/77/35/538097735.db2.gz POCSOBFYZKHPLQ-ZANVPECISA-N 1 0 243.347 1.597 10 0 BDAERO CNc1ccc([C@H]2CN(CC[NH3+])CCCO2)cc1 ZINC000616597251 350650395 /nfs/dbraw/zinc/65/03/95/350650395.db2.gz CBEAHCSOBDOLHK-CQSZACIVSA-N 1 0 249.358 1.450 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cc[nH]n2)CC1 ZINC000616596217 350631697 /nfs/dbraw/zinc/63/16/97/350631697.db2.gz RQPJLCGLGQMPQE-LLVKDONJSA-N 1 0 223.320 1.972 10 0 BDAERO CC1(C)OC[C@@H]([C@H](CO)CC[NH2+]C2CCC2)O1 ZINC000725267369 538098216 /nfs/dbraw/zinc/09/82/16/538098216.db2.gz BGKZVQDUGDWXFE-JQWIXIFHSA-N 1 0 243.347 1.279 10 0 BDAERO C[N@@H+]1CCCOC[C@@H]1c1ccc(N)cc1 ZINC000616598513 350674871 /nfs/dbraw/zinc/67/48/71/350674871.db2.gz CTEJMPLFDRCRSX-GFCCVEGCSA-N 1 0 206.289 1.662 10 0 BDAERO Cc1noc(C)c1[C@@H](O)C1CC[NH2+]CC1 ZINC000034963452 180479532 /nfs/dbraw/zinc/47/95/32/180479532.db2.gz GEYCGBLEIWTNLZ-NSHDSACASA-N 1 0 210.277 1.324 10 0 BDAERO CC(C)[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000226403503 535149788 /nfs/dbraw/zinc/14/97/88/535149788.db2.gz YHYMJLLGGBUYKK-RWMBFGLXSA-N 1 0 226.364 1.172 10 0 BDAERO CC1CC(C(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000309516434 350695304 /nfs/dbraw/zinc/69/53/04/350695304.db2.gz RTGQVNWITGFPNK-UHFFFAOYSA-N 1 0 210.321 1.291 10 0 BDAERO CC[N@@H+]1CCOCC[C@H]1c1cccc(CO)c1 ZINC000616599474 350749673 /nfs/dbraw/zinc/74/96/73/350749673.db2.gz ZYXKVKNVLNSMGE-AWEZNQCLSA-N 1 0 235.327 1.962 10 0 BDAERO NNc1cccc(Sc2ncc[nH]2)[nH+]1 ZINC000236288273 350732977 /nfs/dbraw/zinc/73/29/77/350732977.db2.gz NITRMOBIKDKRGZ-UHFFFAOYSA-N 1 0 207.262 1.242 10 0 BDAERO C[C@@H]1C[S@](=O)c2ccc(F)cc2[C@H]1[NH3+] ZINC000251898473 362980944 /nfs/dbraw/zinc/98/09/44/362980944.db2.gz WFIWLYQHYDERSR-VWECJSDFSA-N 1 0 213.277 1.583 10 0 BDAERO CC[N@@H+]1CCCOC[C@@H]1c1ccnnc1 ZINC000616599981 350778319 /nfs/dbraw/zinc/77/83/19/350778319.db2.gz UTEBQCOSOVFTGP-LLVKDONJSA-N 1 0 207.277 1.260 10 0 BDAERO CN1CCOC[C@@H]1c1cccc2nnccc21 ZINC000616600709 350779582 /nfs/dbraw/zinc/77/95/82/350779582.db2.gz HVJNQBXHSCZDIB-CYBMUJFWSA-N 1 0 229.283 1.633 10 0 BDAERO Nc1ccc([C@@H]2CCC[N@H+](CCO)CC2)cc1 ZINC000616601387 350782462 /nfs/dbraw/zinc/78/24/62/350782462.db2.gz ONPNQZHOHTZXAQ-GFCCVEGCSA-N 1 0 234.343 1.831 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2ccccn2)C1 ZINC000616603222 350788951 /nfs/dbraw/zinc/78/89/51/350788951.db2.gz DESZTGQXEUIKFO-LBPRGKRZSA-N 1 0 220.316 1.643 10 0 BDAERO c1cc2nnccc2c([C@H]2COCC[NH2+]2)c1 ZINC000616603465 350789896 /nfs/dbraw/zinc/78/98/96/350789896.db2.gz XIZZIWOQZHLLEL-GFCCVEGCSA-N 1 0 215.256 1.291 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](OC(F)(F)F)CC1 ZINC000616602577 350791759 /nfs/dbraw/zinc/79/17/59/350791759.db2.gz ZYRVPTNYWDWQCU-MRVPVSSYSA-N 1 0 227.226 1.370 10 0 BDAERO CNc1cccc([C@H]2CCCN2CC[NH3+])c1 ZINC000616607598 350800918 /nfs/dbraw/zinc/80/09/18/350800918.db2.gz KKYIBOATDZIFDS-CYBMUJFWSA-N 1 0 219.332 1.824 10 0 BDAERO CC(=O)Nc1cccc([C@H]2CCC[N@@H+]2CCO)c1 ZINC000616607758 350802232 /nfs/dbraw/zinc/80/22/32/350802232.db2.gz MDMRGTVQPFGTLF-CQSZACIVSA-N 1 0 248.326 1.774 10 0 BDAERO C[C@@H]1SCC[C@@]1(CN)[N@H+](C)C(C)(C)C ZINC000306680081 350834946 /nfs/dbraw/zinc/83/49/46/350834946.db2.gz JPZAOPCUHPRCHZ-ONGXEEELSA-N 1 0 216.394 1.940 10 0 BDAERO O=C1CCCC[C@@H]1[N@@H+]1CC[C@@H](CCO)C1 ZINC000231565722 350836320 /nfs/dbraw/zinc/83/63/20/350836320.db2.gz MVQSSBXDHFHXGQ-QWRGUYRKSA-N 1 0 211.305 1.202 10 0 BDAERO OCCc1cccc([C@@H]2CC[N@@H+](CCO)C2)c1 ZINC000616614808 350839994 /nfs/dbraw/zinc/83/99/94/350839994.db2.gz VRFMTVPPIYINFM-CQSZACIVSA-N 1 0 235.327 1.003 10 0 BDAERO Nc1ncccc1[C@H]1CCCCN1CC[NH3+] ZINC000616615013 350844907 /nfs/dbraw/zinc/84/49/07/350844907.db2.gz POEUUZHJMIKPBZ-LLVKDONJSA-N 1 0 220.320 1.150 10 0 BDAERO CC1(C(=O)N2CCCC[C@@H](C[NH3+])C2)CC1 ZINC000308823870 538099651 /nfs/dbraw/zinc/09/96/51/538099651.db2.gz KJCJPMWUTUHQED-JTQLQIEISA-N 1 0 210.321 1.374 10 0 BDAERO C[C@@H]1C[N@H+](C[C@H]2CCCS2)CCC1=O ZINC000251914466 362985041 /nfs/dbraw/zinc/98/50/41/362985041.db2.gz XLLCTVXDKGEMRE-NXEZZACHSA-N 1 0 213.346 1.793 10 0 BDAERO Nc1cccc([C@@H]2CCCCN2CC[NH3+])n1 ZINC000616616124 350853999 /nfs/dbraw/zinc/85/39/99/350853999.db2.gz IHCPGQNJEVTGRG-NSHDSACASA-N 1 0 220.320 1.150 10 0 BDAERO NC(=O)c1cccc([C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000616616566 350855787 /nfs/dbraw/zinc/85/57/87/350855787.db2.gz SEOBLMWUAYXVMD-ZDUSSCGKSA-N 1 0 248.326 1.305 10 0 BDAERO FC(F)[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000306727501 350898887 /nfs/dbraw/zinc/89/88/87/350898887.db2.gz AXYNMSNRLZWVCB-RXMQYKEDSA-N 1 0 218.169 1.088 10 0 BDAERO CO[C@]1(C)CC[N@@H+]([C@H]2CCCCC2=O)C1 ZINC000306734569 350905062 /nfs/dbraw/zinc/90/50/62/350905062.db2.gz UWBSEDXJTOYDSS-CMPLNLGQSA-N 1 0 211.305 1.609 10 0 BDAERO C[C@H]([NH3+])[C@@H](N1CCC[C@H]1C)C(F)(F)F ZINC000252204904 350910522 /nfs/dbraw/zinc/91/05/22/350910522.db2.gz UXARALZQVCQLPP-GJMOJQLCSA-N 1 0 210.243 1.749 10 0 BDAERO CC(C)(C)[NH+]1CCC(c2cn[nH]n2)CC1 ZINC000616619556 350927789 /nfs/dbraw/zinc/92/77/89/350927789.db2.gz NXURUEADPMYJRZ-UHFFFAOYSA-N 1 0 208.309 1.783 10 0 BDAERO COc1ccc([C@@H]2CCCN(CC[NH3+])C2)cc1 ZINC000616619827 350928524 /nfs/dbraw/zinc/92/85/24/350928524.db2.gz BBTVDYMKGKFSSI-CYBMUJFWSA-N 1 0 234.343 1.833 10 0 BDAERO C[C@H]1C[C@H](C[NH3+])CN1c1ncnc2ccccc21 ZINC000216187252 350930017 /nfs/dbraw/zinc/93/00/17/350930017.db2.gz KUCNIRPTDAEZHP-WDEREUQCSA-N 1 0 242.326 1.803 10 0 BDAERO N[C@@H](CC[NH3+])c1ccc(Br)o1 ZINC000306744745 350933574 /nfs/dbraw/zinc/93/35/74/350933574.db2.gz YQWKRNVSDUZHCS-YFKPBYRVSA-N 1 0 219.082 1.391 10 0 BDAERO COC(=O)CCN1CCC([NH+]2CCCC2)CC1 ZINC000051925673 350871359 /nfs/dbraw/zinc/87/13/59/350871359.db2.gz GATFCZWBECDWIO-UHFFFAOYSA-N 1 0 240.347 1.110 10 0 BDAERO CC[C@H]1C[N@@H+]([C@H]2CCC(=O)C2)CCN1C ZINC000251923598 362987143 /nfs/dbraw/zinc/98/71/43/362987143.db2.gz YQQOGZJDXVTHNV-QWRGUYRKSA-N 1 0 210.321 1.134 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1Cc1csc(Cl)c1 ZINC000306722990 350891072 /nfs/dbraw/zinc/89/10/72/350891072.db2.gz GFONSZRWGUGXDX-BDAKNGLRSA-N 1 0 231.748 1.914 10 0 BDAERO C[C@@H]1SCCN(C2=[NH+]CCN2C)[C@H]1C ZINC000306729287 350897917 /nfs/dbraw/zinc/89/79/17/350897917.db2.gz OOXGQMFJAQLJQX-IUCAKERBSA-N 1 0 213.350 1.114 10 0 BDAERO [NH2+]=C(NC1CC1)N1CCC=C(Br)C1 ZINC000404137430 350968351 /nfs/dbraw/zinc/96/83/51/350968351.db2.gz DIYWWLOTRRNMNC-UHFFFAOYSA-N 1 0 244.136 1.658 10 0 BDAERO Cc1occc1-c1nc(CCC[NH3+])no1 ZINC000054139164 180535260 /nfs/dbraw/zinc/53/52/60/180535260.db2.gz IIVPBYWDSJDDAH-UHFFFAOYSA-N 1 0 207.233 1.529 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1[S@@](=O)C1CCCC1 ZINC000222768739 351016779 /nfs/dbraw/zinc/01/67/79/351016779.db2.gz HUXMMPIRRUDLCA-CHIMOYNISA-N 1 0 215.362 1.805 10 0 BDAERO Nc1ncc([C@@]2(F)CC[C@H]([NH3+])C2)s1 ZINC000159899154 351018827 /nfs/dbraw/zinc/01/88/27/351018827.db2.gz IZQYGNUCIPBWDS-YLWLKBPMSA-N 1 0 201.270 1.401 10 0 BDAERO [NH3+]CCN1CCC[C@@H](c2cccc(F)c2)C1 ZINC000616621394 351036215 /nfs/dbraw/zinc/03/62/15/351036215.db2.gz RZLHBNUZRMJOOB-GFCCVEGCSA-N 1 0 222.307 1.964 10 0 BDAERO Cc1oncc1-c1nnc(C[NH2+]C(C)C)o1 ZINC000050615911 180553496 /nfs/dbraw/zinc/55/34/96/180553496.db2.gz IFXFLJHESXOTKE-UHFFFAOYSA-N 1 0 222.248 1.531 10 0 BDAERO CCCNC(=[NH2+])N[C@H]1CS[C@@H](C)C1 ZINC000306773114 351010476 /nfs/dbraw/zinc/01/04/76/351010476.db2.gz IIOODUOGGWZSSK-JGVFFNPUSA-N 1 0 201.339 1.404 10 0 BDAERO F[C@@]1(Cc2cncs2)CCC[NH2+]C1 ZINC000159841156 351013032 /nfs/dbraw/zinc/01/30/32/351013032.db2.gz KCEMSXRODBHGOW-SECBINFHSA-N 1 0 200.282 1.777 10 0 BDAERO C[C@H](N)[C@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000306773699 351014732 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/nfs/dbraw/zinc/11/38/60/351113860.db2.gz BKJVJMSIQNKEEW-LLVKDONJSA-N 1 0 226.270 1.726 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](c2ccccc2CO)C1 ZINC000616621851 351083932 /nfs/dbraw/zinc/08/39/32/351083932.db2.gz ZYFOAKMQAKXDKR-GFCCVEGCSA-N 1 0 235.327 1.351 10 0 BDAERO [NH3+]CCN1CCC[C@H](c2cccnn2)CC1 ZINC000616627591 351095791 /nfs/dbraw/zinc/09/57/91/351095791.db2.gz HSVUHGIFWVCHAY-NSHDSACASA-N 1 0 220.320 1.005 10 0 BDAERO COc1ccccc1[C@@H]1COCCN1CC[NH3+] ZINC000616641064 351147336 /nfs/dbraw/zinc/14/73/36/351147336.db2.gz UJOHBRVVRYDQDG-LBPRGKRZSA-N 1 0 236.315 1.027 10 0 BDAERO C[C@H]1C[C@H](NC(N)=S)C[N@@H+]1Cc1ccccc1 ZINC000306840091 351149196 /nfs/dbraw/zinc/14/91/96/351149196.db2.gz BBXHAZSSOLYZIK-JQWIXIFHSA-N 1 0 249.383 1.483 10 0 BDAERO CC[S@](C)(=O)=NC[C@@H]1CCCC[NH2+]1 ZINC000306842671 351156702 /nfs/dbraw/zinc/15/67/02/351156702.db2.gz BZLIOZJOFQVFPF-ZANVPECISA-N 1 0 204.339 1.246 10 0 BDAERO NC(=O)[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000616655415 351192817 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CCGYXGRNXBFJSD-UTUOFQBUSA-N 1 0 241.331 1.175 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000306165663 352986121 /nfs/dbraw/zinc/98/61/21/352986121.db2.gz VYGIQYDACBBYBB-BBBLOLIVSA-N 1 0 200.351 1.080 10 0 BDAERO N[C@H](c1cn[nH]c1)c1occc1Br ZINC000307696226 352964032 /nfs/dbraw/zinc/96/40/32/352964032.db2.gz KDGUEADFKVPVRZ-SSDOTTSWSA-N 1 0 242.076 1.813 10 0 BDAERO C[C@]1(C(=O)N[C@H]2CCCC23CC3)CCCC[NH2+]1 ZINC000638835465 353020927 /nfs/dbraw/zinc/02/09/27/353020927.db2.gz WPSPYHZFRKYUEH-WCQYABFASA-N 1 0 236.359 1.968 10 0 BDAERO Cc1sccc1[C@@H]1[C@@H]([NH3+])CC(=O)N1C ZINC000306559892 353025143 /nfs/dbraw/zinc/02/51/43/353025143.db2.gz LXZMCIMPMLYCPP-WCBMZHEXSA-N 1 0 210.302 1.287 10 0 BDAERO CC[C@](C)(NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000638858566 353034973 /nfs/dbraw/zinc/03/49/73/353034973.db2.gz SRJAHPWNROKPAE-XWIASGKRSA-N 1 0 224.348 1.537 10 0 BDAERO CC(C)NC1=[NH+][C@@]2(CCOC2)CS1 ZINC000306688776 353035062 /nfs/dbraw/zinc/03/50/62/353035062.db2.gz NHIHEEVIXDCFQU-SECBINFHSA-N 1 0 200.307 1.246 10 0 BDAERO [NH3+][C@@H]1CCCCCN(C(=O)CC(F)(F)F)C1 ZINC000638831754 353012174 /nfs/dbraw/zinc/01/21/74/353012174.db2.gz ITYCVTWKUGXRHC-MRVPVSSYSA-N 1 0 238.253 1.669 10 0 BDAERO C[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@@H]1C[NH3+] ZINC000638897497 353060647 /nfs/dbraw/zinc/06/06/47/353060647.db2.gz AHDNTLVGNNTODU-KXUCPTDWSA-N 1 0 210.321 1.086 10 0 BDAERO C[C@H]1C[C@H](c2c(Br)cnn2C)C[NH2+]1 ZINC000307260791 353064392 /nfs/dbraw/zinc/06/43/92/353064392.db2.gz NQXNHDLUNJNHIM-BQBZGAKWSA-N 1 0 244.136 1.648 10 0 BDAERO Cc1cscc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638911941 353076800 /nfs/dbraw/zinc/07/68/00/353076800.db2.gz IGWHYOXIUINCNX-SCZZXKLOSA-N 1 0 238.356 1.723 10 0 BDAERO C[C@H]1CN(C(=O)CCC(C)(C)C)C[C@@H]1C[NH3+] ZINC000638910399 353070890 /nfs/dbraw/zinc/07/08/90/353070890.db2.gz FAACVLLNWYBSAY-QWRGUYRKSA-N 1 0 226.364 1.866 10 0 BDAERO Cc1cccc(CC(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000638887606 353049620 /nfs/dbraw/zinc/04/96/20/353049620.db2.gz LLMLZCBVWQKECT-JSGCOSHPSA-N 1 0 246.354 1.591 10 0 BDAERO C[C@H](C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)C(C)(C)C ZINC000638886960 353053529 /nfs/dbraw/zinc/05/35/29/353053529.db2.gz BQZFJVYYXBARHE-MXWKQRLJSA-N 1 0 226.364 1.722 10 0 BDAERO CCc1ccccc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638893194 353054673 /nfs/dbraw/zinc/05/46/73/353054673.db2.gz MAMJYMFAMUDWFV-YPMHNXCESA-N 1 0 246.354 1.916 10 0 BDAERO C[C@H]1C[C@H](C[NH3+])CN1c1ncnc2[nH]ccc21 ZINC000420223218 192178123 /nfs/dbraw/zinc/17/81/23/192178123.db2.gz ZSIOYMCZQGQCOI-DTWKUNHWSA-N 1 0 231.303 1.131 10 0 BDAERO C[C@@H]1COCC[C@H]1NC(=[NH2+])NCc1ccccc1 ZINC000307749355 353126000 /nfs/dbraw/zinc/12/60/00/353126000.db2.gz GIQHJXMOQPJUEC-DGCLKSJQSA-N 1 0 247.342 1.726 10 0 BDAERO C[C@@H]1SCCS[C@H]1[C@@H]([NH3+])C1=COCC1 ZINC000307751973 353128589 /nfs/dbraw/zinc/12/85/89/353128589.db2.gz QBFQJPLFPZRHAG-UJNFCWOMSA-N 1 0 231.386 1.855 10 0 BDAERO C[C@H](C[C@H](C)[NH3+])Nc1ccnc2cccnc21 ZINC000379099226 353133326 /nfs/dbraw/zinc/13/33/26/353133326.db2.gz DNMSDHFPSNYSQS-VHSXEESVSA-N 1 0 230.315 1.589 10 0 BDAERO Cn1ncnc1CC[C@@H]([NH3+])c1ccccc1 ZINC000054498582 180854975 /nfs/dbraw/zinc/85/49/75/180854975.db2.gz HNTMEISWQMINDR-LLVKDONJSA-N 1 0 216.288 1.448 10 0 BDAERO CC(C)([NH3+])CO[C@@H]1CCCCC[C@@H]1O ZINC000232573710 353136542 /nfs/dbraw/zinc/13/65/42/353136542.db2.gz BDZVCXFDQPIXLQ-VHSXEESVSA-N 1 0 201.310 1.434 10 0 BDAERO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)O1 ZINC000638943352 353141286 /nfs/dbraw/zinc/14/12/86/353141286.db2.gz ISEQNLCNGALKFN-RMPHRYRLSA-N 1 0 240.347 1.057 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccc(Br)s1 ZINC000036163651 538109580 /nfs/dbraw/zinc/10/95/80/538109580.db2.gz ROBAKLCWJGTPMG-RXMQYKEDSA-N 1 0 236.134 1.893 10 0 BDAERO [NH3+]C[C@]1([C@H]2CCSC2)CCCOC1 ZINC000405303100 353166780 /nfs/dbraw/zinc/16/67/80/353166780.db2.gz KRHNMZCCPRUETA-VHSXEESVSA-N 1 0 201.335 1.495 10 0 BDAERO O=C(N[C@@]12C[C@@H]1CCCC2)[C@H]1CC[NH2+]C1 ZINC000638974372 353179951 /nfs/dbraw/zinc/17/99/51/353179951.db2.gz QWFDUBAYCUHNCC-NHCYSSNCSA-N 1 0 208.305 1.045 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@]23C[C@H]2CCCC3)C1 ZINC000638978138 353183004 /nfs/dbraw/zinc/18/30/04/353183004.db2.gz VPEUESKWXODWFP-SBFPOUOMSA-N 1 0 222.332 1.563 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2C[NH2+]CCOC2)cs1 ZINC000638994547 353233986 /nfs/dbraw/zinc/23/39/86/353233986.db2.gz NJOJYJCIESJVDC-SECBINFHSA-N 1 0 240.328 1.231 10 0 BDAERO C[C@@H]1C[C@H](C)[C@@H]2[C@H](C1)[NH2+]C[C@@H](C)[S@@]2=O ZINC000252194804 363210008 /nfs/dbraw/zinc/21/00/08/363210008.db2.gz VJOPYUXHEUIIKL-ULQATHHISA-N 1 0 215.362 1.530 10 0 BDAERO C[C@@]1(NC2=[NH+]CCCS2)CCOC1 ZINC000229480704 353270608 /nfs/dbraw/zinc/27/06/08/353270608.db2.gz BTSQEHVGGDYRRU-SECBINFHSA-N 1 0 200.307 1.248 10 0 BDAERO CSC[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000127689730 353274358 /nfs/dbraw/zinc/27/43/58/353274358.db2.gz CKKWQRUCBXQWGB-IUCAKERBSA-N 1 0 201.335 1.649 10 0 BDAERO CCNC(=O)O[C@@H]1CCCCC[C@H]1[NH3+] ZINC000131756872 353372808 /nfs/dbraw/zinc/37/28/08/353372808.db2.gz XSPATETUUWAUPD-RKDXNWHRSA-N 1 0 200.282 1.393 10 0 BDAERO CC[C@H]1CN(C(=[NH2+])NC(C)C)CCS1 ZINC000133045466 353397945 /nfs/dbraw/zinc/39/79/45/353397945.db2.gz MGNVVVGZESJMBM-VIFPVBQESA-N 1 0 215.366 1.747 10 0 BDAERO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC000309123795 491052457 /nfs/dbraw/zinc/05/24/57/491052457.db2.gz OVCQWMXSDLUVPD-OUAUKWLOSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@@H]1CCOC1 ZINC000124228896 188439909 /nfs/dbraw/zinc/43/99/09/188439909.db2.gz PKPSCORZUBJCAN-BTQDYEIMSA-N 1 0 247.338 1.659 10 0 BDAERO CC(C)[C@H](C)N(C)[C@H]1COCC[C@@H]1[NH3+] ZINC000252408714 363237278 /nfs/dbraw/zinc/23/72/78/363237278.db2.gz JJSZFWIZHBPKMX-DCAQKATOSA-N 1 0 200.326 1.079 10 0 BDAERO CC(C)(C)c1nc([C@@H]([NH3+])[C@@H]2CCOC2)no1 ZINC000036764566 188468123 /nfs/dbraw/zinc/46/81/23/188468123.db2.gz OGJOKTJBQIVQPD-SFYZADRCSA-N 1 0 225.292 1.403 10 0 BDAERO CC(C)(C[NH2+][C@@H]1COC[C@@H]1O)c1ccccc1 ZINC000037934982 188470832 /nfs/dbraw/zinc/47/08/32/188470832.db2.gz IUKBMHHDJXLKAE-OLZOCXBDSA-N 1 0 235.327 1.314 10 0 BDAERO CC(C)N(C)C(=O)CC1CCC([NH3+])CC1 ZINC000055123190 188484695 /nfs/dbraw/zinc/48/46/95/188484695.db2.gz ZNSHSULRJBVGRT-UHFFFAOYSA-N 1 0 212.337 1.761 10 0 BDAERO COc1ccc([C@@]2(C)C[C@@]2(C[NH3+])CO)cc1 ZINC000070500909 188488036 /nfs/dbraw/zinc/48/80/36/188488036.db2.gz UQYWBAXDOVWLAT-CHWSQXEVSA-N 1 0 221.300 1.294 10 0 BDAERO C[NH2+][C@@H]1CCN(Cc2cc(C)on2)C[C@H]1C ZINC000044725530 188480743 /nfs/dbraw/zinc/48/07/43/188480743.db2.gz MAIWRZSELQYGMB-BXKDBHETSA-N 1 0 223.320 1.413 10 0 BDAERO Cc1n[nH]c(C)c1C(=O)N[C@H](C)CC[NH+](C)C ZINC000049561871 188481356 /nfs/dbraw/zinc/48/13/56/188481356.db2.gz JOOYBQJNVJQHOW-MRVPVSSYSA-N 1 0 238.335 1.097 10 0 BDAERO CC(C)[C@H](C)Sc1cc(N)nc(N)[nH+]1 ZINC000232744220 353757062 /nfs/dbraw/zinc/75/70/62/353757062.db2.gz YALLCAHRXFZAAB-LURJTMIESA-N 1 0 212.322 1.778 10 0 BDAERO Fc1cccc2c1C[C@H](C[C@H]1C[NH+]=CN1)C2 ZINC000013862119 181007273 /nfs/dbraw/zinc/00/72/73/181007273.db2.gz LQJGPTUEUKGVLC-ONGXEEELSA-N 1 0 218.275 1.931 10 0 BDAERO Cc1ncc(Br)c(C[NH3+])n1 ZINC000082639037 188496036 /nfs/dbraw/zinc/49/60/36/188496036.db2.gz DLWHRZXAXQJMDG-UHFFFAOYSA-N 1 0 202.055 1.006 10 0 BDAERO Fc1cnc(OCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095072037 181018050 /nfs/dbraw/zinc/01/80/50/181018050.db2.gz UJCKOAGTXUJZLP-VIFPVBQESA-N 1 0 225.267 1.384 10 0 BDAERO CC[C@H](C)[NH2+]C[C@H]1CN(CC)CCO1 ZINC000086004418 491056074 /nfs/dbraw/zinc/05/60/74/491056074.db2.gz NRNCOEMEMHQSHQ-QWRGUYRKSA-N 1 0 200.326 1.095 10 0 BDAERO C1=[NH+][C@H]2CCCC[C@@H]2NC2=C1N1CCC2CC1 ZINC000100903651 188503640 /nfs/dbraw/zinc/50/36/40/188503640.db2.gz LEOWMPKJHUXVMG-RYUDHWBXSA-N 1 0 231.343 1.909 10 0 BDAERO CO[C@H](C)CNc1nc(N)ncc1Cl ZINC000224733212 363263935 /nfs/dbraw/zinc/26/39/35/363263935.db2.gz LAFNTWQHKZWJCJ-RXMQYKEDSA-N 1 0 216.672 1.159 10 0 BDAERO CCC[C@H](CC)[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000086004621 491056086 /nfs/dbraw/zinc/05/60/86/491056086.db2.gz YWDWHZHRGQZOFI-QWHCGFSZSA-N 1 0 228.380 1.875 10 0 BDAERO c1ccc2c(c1)C=C(C1=[NH+]CCN1)CO2 ZINC000013806009 188525089 /nfs/dbraw/zinc/52/50/89/188525089.db2.gz UZIZYNGEOMYAGP-UHFFFAOYSA-N 1 0 200.241 1.464 10 0 BDAERO COC(=O)N1CCCCC[C@@H]1CC[NH3+] ZINC000216008149 363284759 /nfs/dbraw/zinc/28/47/59/363284759.db2.gz NVDLZNLCNBMHDE-SECBINFHSA-N 1 0 200.282 1.346 10 0 BDAERO Cn1ccnc1C(=O)C1CCC([NH3+])CC1 ZINC000082532874 188535046 /nfs/dbraw/zinc/53/50/46/188535046.db2.gz INICMKHNVGHHJZ-UHFFFAOYSA-N 1 0 207.277 1.120 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1Sc1nccn1C ZINC000252469658 363283472 /nfs/dbraw/zinc/28/34/72/363283472.db2.gz WJEYTTVCIHJOBX-IWSPIJDZSA-N 1 0 211.334 1.638 10 0 BDAERO C[C@H]1[C@H](Sc2nccn2C)CC[C@@H]1[NH3+] ZINC000252469657 363283622 /nfs/dbraw/zinc/28/36/22/363283622.db2.gz WJEYTTVCIHJOBX-HRDYMLBCSA-N 1 0 211.334 1.638 10 0 BDAERO CC(C)C[S@](=O)[C@@H]1CC[C@H]([NH3+])[C@H]1C ZINC000252467839 363283761 /nfs/dbraw/zinc/28/37/61/363283761.db2.gz CFRNMRANEVHHTR-COMAGPEQSA-N 1 0 203.351 1.517 10 0 BDAERO CC(C)[C@@H]([NH3+])[C@H](O)c1ncc(Cl)n1C ZINC000301000280 363286170 /nfs/dbraw/zinc/28/61/70/363286170.db2.gz KMXDTCGNWAOBGG-SFYZADRCSA-N 1 0 217.700 1.090 10 0 BDAERO CC(C)[C@@H]([NH3+])[C@@H](O)c1ncc(Cl)n1C ZINC000301000275 363286185 /nfs/dbraw/zinc/28/61/85/363286185.db2.gz KMXDTCGNWAOBGG-HTQZYQBOSA-N 1 0 217.700 1.090 10 0 BDAERO CC(C)=CC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000266214583 188551200 /nfs/dbraw/zinc/55/12/00/188551200.db2.gz QRJJEKXFRCOYPS-GHMZBOCLSA-N 1 0 210.321 1.361 10 0 BDAERO C[C@H]1COCC[C@@]12[NH2+]C(C)(C)CS2 ZINC000301045190 363372537 /nfs/dbraw/zinc/37/25/37/363372537.db2.gz XXNVQHXXCIZINU-WPRPVWTQSA-N 1 0 201.335 1.854 10 0 BDAERO C/C(=C/c1c(Br)cnn1C)[C@H](C)[NH3+] ZINC000308141549 354324841 /nfs/dbraw/zinc/32/48/41/354324841.db2.gz UHKYFCKEDSZGCN-NGAMADIESA-N 1 0 244.136 1.933 10 0 BDAERO Nc1cc(NC2=[NH+]CCN2)ccc1Cl ZINC000521401230 259455187 /nfs/dbraw/zinc/45/51/87/259455187.db2.gz IGQLZWQCLHNALJ-UHFFFAOYSA-N 1 0 210.668 1.293 10 0 BDAERO Cc1cc(N)c(Cl)cc1NC1=[NH+]CCN1 ZINC000521401611 259455727 /nfs/dbraw/zinc/45/57/27/259455727.db2.gz LNLNVVDNNAKSHG-UHFFFAOYSA-N 1 0 224.695 1.602 10 0 BDAERO CCN1CCC[N@@H+]([C@@H]2CC[C@H](C)C2)CC1=O ZINC000335929191 134010043 /nfs/dbraw/zinc/01/00/43/134010043.db2.gz SDWXOTPQVNBEIB-NWDGAFQWSA-N 1 0 224.348 1.729 10 0 BDAERO CCC(=O)CCC[N@@H+]1CCC[C@H]1CCCO ZINC000232857264 363388054 /nfs/dbraw/zinc/38/80/54/363388054.db2.gz CIZPGDPRJUZKHA-LBPRGKRZSA-N 1 0 227.348 1.983 10 0 BDAERO C[C@@H]1SCCC[C@H]1[NH2+][C@H]1CCOC1 ZINC000252491117 363435488 /nfs/dbraw/zinc/43/54/88/363435488.db2.gz GSXLAYCUCQSMIK-LPEHRKFASA-N 1 0 201.335 1.649 10 0 BDAERO CCC(C)(C)CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000346592457 354986732 /nfs/dbraw/zinc/98/67/32/354986732.db2.gz REFFBMJCHHNEMX-ZDUSSCGKSA-N 1 0 242.363 1.125 10 0 BDAERO CC(C)c1nccnc1NCC[N@H+](C)C1CC1 ZINC000413067036 191351852 /nfs/dbraw/zinc/35/18/52/191351852.db2.gz DJOJDNASQOPQBA-UHFFFAOYSA-N 1 0 234.347 1.528 10 0 BDAERO NC(=[NH2+])CCCOC[C@@H]1CCCCO1 ZINC000019424098 181186830 /nfs/dbraw/zinc/18/68/30/181186830.db2.gz QCWJTSQMBRAELL-VIFPVBQESA-N 1 0 200.282 1.288 10 0 BDAERO NC(=[NH2+])CCCOC[C@H]1CCCCO1 ZINC000019424100 181186260 /nfs/dbraw/zinc/18/62/60/181186260.db2.gz QCWJTSQMBRAELL-SECBINFHSA-N 1 0 200.282 1.288 10 0 BDAERO NC(=[NH2+])CCNC(=O)OCc1ccccc1 ZINC000095757666 181186306 /nfs/dbraw/zinc/18/63/06/181186306.db2.gz AETJSDMTBGUDEH-UHFFFAOYSA-N 1 0 221.260 1.239 10 0 BDAERO C[C@H](C(=O)NC(C)(C)C[NH3+])C(C)(C)C ZINC000399107119 355370907 /nfs/dbraw/zinc/37/09/07/355370907.db2.gz ATXSDMUKLGOGPY-MRVPVSSYSA-N 1 0 200.326 1.522 10 0 BDAERO NC(=[NH2+])c1cc(F)ccc1CO[C@@H]1CCOC1 ZINC000104117421 181193534 /nfs/dbraw/zinc/19/35/34/181193534.db2.gz ZBVVVUIROAJFGA-SNVBAGLBSA-N 1 0 238.262 1.415 10 0 BDAERO NC(=[NH2+])c1ccc(N2CCCCCC2)nc1 ZINC000019505883 181195083 /nfs/dbraw/zinc/19/50/83/181195083.db2.gz 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ZXPNHNQKDNSFHS-UHFFFAOYSA-N 1 0 201.628 1.961 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cnccn1 ZINC000226966802 491098271 /nfs/dbraw/zinc/09/82/71/491098271.db2.gz HPDBYUPQCQWMSG-GARJFASQSA-N 1 0 221.304 1.431 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccsc1Br ZINC000083335975 538469357 /nfs/dbraw/zinc/46/93/57/538469357.db2.gz USEVPBOJOZRWPF-ZCFIWIBFSA-N 1 0 236.134 1.893 10 0 BDAERO CC(C)C(=O)N1CCOc2ccccc2[C@H]1C[NH3+] ZINC000675058090 538480454 /nfs/dbraw/zinc/48/04/54/538480454.db2.gz RRRMEQXJPXSCED-GFCCVEGCSA-N 1 0 248.326 1.563 10 0 BDAERO CC(C)C[NH+](CC(C)C)[C@H]1CNCC[C@H]1O ZINC000675058334 538481561 /nfs/dbraw/zinc/48/15/61/538481561.db2.gz ANCPKBYXVBQVOV-QWHCGFSZSA-N 1 0 228.380 1.323 10 0 BDAERO Cn1cncc1[C@H]1[C@H](CO)CCC[N@@H+]1C1CC1 ZINC000675058592 538482243 /nfs/dbraw/zinc/48/22/43/538482243.db2.gz NEXMBLHCCYTXQB-GXFFZTMASA-N 1 0 235.331 1.328 10 0 BDAERO CCC[C@]1(C[NH3+])CN(C(=O)CC2CC2)CCO1 ZINC000675059111 538483172 /nfs/dbraw/zinc/48/31/72/538483172.db2.gz 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NDSZWJSXNGOUHA-WOPDTQHZSA-N 1 0 234.347 1.573 10 0 BDAERO CC(C)NC(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675070819 538500752 /nfs/dbraw/zinc/50/07/52/538500752.db2.gz SVBHSPLSSLNNTG-DBIOUOCHSA-N 1 0 225.336 1.067 10 0 BDAERO CC(C)C[C@H](C[NH3+])Nc1ncc(Cl)cn1 ZINC000168060214 134155988 /nfs/dbraw/zinc/15/59/88/134155988.db2.gz NWEMJRYODZGENK-SECBINFHSA-N 1 0 228.727 1.915 10 0 BDAERO [NH3+][C@@H]1C[C@@H]2C[C@@H](CNC(=O)CC3CC3)C[C@H]12 ZINC000675070757 538500999 /nfs/dbraw/zinc/50/09/99/538500999.db2.gz SLZBGIYNYUMMJZ-NOOOWODRSA-N 1 0 222.332 1.276 10 0 BDAERO COC(=O)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000378696109 356673001 /nfs/dbraw/zinc/67/30/01/356673001.db2.gz FYSMDDZIIDYISU-HBNTYKKESA-N 1 0 223.316 1.718 10 0 BDAERO O[C@H]1C=C(C[C@H]2CCC(F)(F)C2)C[NH2+]C1 ZINC000675076621 538511506 /nfs/dbraw/zinc/51/15/06/538511506.db2.gz FEPHHOSVVIFSII-SCZZXKLOSA-N 1 0 217.259 1.702 10 0 BDAERO CC[C@@H](C)N(OC)C1CCC([NH3+])CC1 ZINC000675072993 538505371 /nfs/dbraw/zinc/50/53/71/538505371.db2.gz GIJNYNGTVLSWTD-KPPDAEKUSA-N 1 0 200.326 1.918 10 0 BDAERO CCNC(=O)NC1(CCC[NH3+])CCCCC1 ZINC000675074116 538507031 /nfs/dbraw/zinc/50/70/31/538507031.db2.gz RPLXDXJCJVMYNB-UHFFFAOYSA-N 1 0 227.352 1.747 10 0 BDAERO CCC[NH2+]Cc1c(OC)nsc1OC ZINC000675075151 538508519 /nfs/dbraw/zinc/50/85/19/538508519.db2.gz HIPAVXQGEXSBFM-UHFFFAOYSA-N 1 0 216.306 1.660 10 0 BDAERO CC(C)[C@](C)(O)C[N@@H+]1CCCOCC1 ZINC000168021904 134155271 /nfs/dbraw/zinc/15/52/71/134155271.db2.gz AAWHKRLHDHDBAJ-LLVKDONJSA-N 1 0 201.310 1.116 10 0 BDAERO O[C@@H]1C=C(Cc2ccccc2F)C[NH2+]C1 ZINC000675077755 538513778 /nfs/dbraw/zinc/51/37/78/538513778.db2.gz RFPSHQPUNQFOFX-LLVKDONJSA-N 1 0 207.248 1.259 10 0 BDAERO N[C@@H]1C=C(Cc2ccc(Cl)cc2)C[NH2+]C1 ZINC000675077775 538514333 /nfs/dbraw/zinc/51/43/33/538514333.db2.gz INUFWZWBWSLCKM-GFCCVEGCSA-N 1 0 222.719 1.739 10 0 BDAERO N[C@H]1C=C(Cc2sccc2Cl)C[NH2+]C1 ZINC000675077978 538514825 /nfs/dbraw/zinc/51/48/25/538514825.db2.gz LNFFMMLGMLKZDT-QMMMGPOBSA-N 1 0 228.748 1.801 10 0 BDAERO O[C@H]1C=C(c2occc2Br)C[NH2+]C1 ZINC000675078298 538514975 /nfs/dbraw/zinc/51/49/75/538514975.db2.gz WYCDYZHHMQFIOG-ZETCQYMHSA-N 1 0 244.088 1.390 10 0 BDAERO N[C@@H]1C=C(CCc2cccs2)C[NH2+]C1 ZINC000675078199 538515113 /nfs/dbraw/zinc/51/51/13/538515113.db2.gz NJURCJJDJUIJGN-SNVBAGLBSA-N 1 0 208.330 1.538 10 0 BDAERO O[C@H]1C=C(CC[C@H]2CCCCO2)C[NH2+]C1 ZINC000675077865 538515462 /nfs/dbraw/zinc/51/54/62/538515462.db2.gz SNAOARGDCYFSEE-NWDGAFQWSA-N 1 0 211.305 1.226 10 0 BDAERO COc1cccc(C2=C[C@@H](N)C[NH2+]C2)c1 ZINC000675078342 538515495 /nfs/dbraw/zinc/51/54/95/538515495.db2.gz OUYPWDTUGWNTFT-LLVKDONJSA-N 1 0 204.273 1.009 10 0 BDAERO COC1CCC(C2=C[C@H](N)C[NH2+]C2)CC1 ZINC000675078488 538516179 /nfs/dbraw/zinc/51/61/79/538516179.db2.gz QBSWTOVRXYUKSZ-ZYXZCXLHSA-N 1 0 210.321 1.049 10 0 BDAERO N[C@H]1C=C(Cc2cccc(Cl)c2)C[NH2+]C1 ZINC000675078808 538516368 /nfs/dbraw/zinc/51/63/68/538516368.db2.gz TYEJRCZDCXNGKR-LBPRGKRZSA-N 1 0 222.719 1.739 10 0 BDAERO [NH3+][C@@H]1C=C(c2c(F)cccc2Cl)CNC1 ZINC000675078252 538516436 /nfs/dbraw/zinc/51/64/36/538516436.db2.gz OFTJCDUQDWHNON-MRVPVSSYSA-N 1 0 226.682 1.793 10 0 BDAERO CCc1cccc(C2=C[C@@H](N)C[NH2+]C2)c1 ZINC000675079471 538518749 /nfs/dbraw/zinc/51/87/49/538518749.db2.gz ZKPCNVOVXJRWEQ-CYBMUJFWSA-N 1 0 202.301 1.563 10 0 BDAERO Cc1ccccc1CC1=C[C@@H](N)C[NH2+]C1 ZINC000675077520 538511971 /nfs/dbraw/zinc/51/19/71/538511971.db2.gz FVAARPYLMVFGQE-CYBMUJFWSA-N 1 0 202.301 1.394 10 0 BDAERO O[C@H]1C=C(CCc2ccccc2)C[NH2+]C1 ZINC000675077019 538512087 /nfs/dbraw/zinc/51/20/87/538512087.db2.gz IMMIXXLZMLMFEN-ZDUSSCGKSA-N 1 0 203.285 1.510 10 0 BDAERO C[C@H]1C[C@H](C2=C[C@H](O)C[NH2+]C2)C[C@@H](C)C1 ZINC000675077251 538512151 /nfs/dbraw/zinc/51/21/51/538512151.db2.gz KFTUWTXLKQAZQH-WGBDABJCSA-N 1 0 209.333 1.949 10 0 BDAERO Cc1cc(F)ccc1C1=C[C@H](N)C[NH2+]C1 ZINC000675077556 538512792 /nfs/dbraw/zinc/51/27/92/538512792.db2.gz OEVNMCBGQBXKOQ-NSHDSACASA-N 1 0 206.264 1.448 10 0 BDAERO C[NH2+]C[C@H]1CN(c2ccc(F)cc2F)C(=O)O1 ZINC000084549602 538534022 /nfs/dbraw/zinc/53/40/22/538534022.db2.gz SCZLEWNNJGIJTR-QMMMGPOBSA-N 1 0 242.225 1.509 10 0 BDAERO CC1(C)OC(C)(C)[C@@H]([C@H]2CCC[NH2+]2)C1=O ZINC000086927044 538562457 /nfs/dbraw/zinc/56/24/57/538562457.db2.gz UOELZXYIJPEPBI-BDAKNGLRSA-N 1 0 211.305 1.511 10 0 BDAERO Cn1cc([C@@H]([NH3+])[C@]2(C)CCCS2)cn1 ZINC000160409737 356705915 /nfs/dbraw/zinc/70/59/15/356705915.db2.gz XOYPDGADJFXDQB-ZJUUUORDSA-N 1 0 211.334 1.706 10 0 BDAERO CCOC(=O)C(=O)C[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000130313574 538590484 /nfs/dbraw/zinc/59/04/84/538590484.db2.gz YBXTWEBNOWIDKX-RKDXNWHRSA-N 1 0 213.277 1.039 10 0 BDAERO CCOC(=O)C(=O)C[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000130312927 538591082 /nfs/dbraw/zinc/59/10/82/538591082.db2.gz YBXTWEBNOWIDKX-IUCAKERBSA-N 1 0 213.277 1.039 10 0 BDAERO Cc1ccc(C[NH2+][C@H](C(N)=O)C(C)C)o1 ZINC000223962517 538597186 /nfs/dbraw/zinc/59/71/86/538597186.db2.gz NSNVSIDWDDRJOW-JTQLQIEISA-N 1 0 210.277 1.188 10 0 BDAERO CCc1nn(CC[NH+](C)C)c(CC)c1N ZINC000132668752 538600308 /nfs/dbraw/zinc/60/03/08/538600308.db2.gz GUSGJBQHQKQCLU-UHFFFAOYSA-N 1 0 210.325 1.152 10 0 BDAERO CC[C@](C)(C[NH3+])[C@H](O)[C@@H]1CCSC1 ZINC000224722477 538600937 /nfs/dbraw/zinc/60/09/37/538600937.db2.gz WXGRCCJHEJLCSS-OPRDCNLKSA-N 1 0 203.351 1.475 10 0 BDAERO C[C@@H]([NH3+])C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000041639995 358512875 /nfs/dbraw/zinc/51/28/75/358512875.db2.gz GEYBIKNPOPGISO-MFKMUULPSA-N 1 0 244.294 1.832 10 0 BDAERO CCc1ncnc(N[C@@H]2C[NH2+]CC[C@H]2C)c1F ZINC000389737431 357022919 /nfs/dbraw/zinc/02/29/19/357022919.db2.gz VXKFADXXQJDQNM-PSASIEDQSA-N 1 0 238.310 1.588 10 0 BDAERO [NH3+]Cc1nc2c(s1)CC(F)(F)CC2 ZINC000257821664 538767678 /nfs/dbraw/zinc/76/76/78/538767678.db2.gz DOJVDUOGDLIDGF-UHFFFAOYSA-N 1 0 204.245 1.726 10 0 BDAERO CCc1nc(C)cc(N[C@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389719873 357019321 /nfs/dbraw/zinc/01/93/21/357019321.db2.gz DSOZMBBECTXUQE-KOLCDFICSA-N 1 0 234.347 1.179 10 0 BDAERO c1ccc2oc(=NC[C@@H]3C[NH2+]CCCO3)[nH]c2c1 ZINC000389891901 357060384 /nfs/dbraw/zinc/06/03/84/357060384.db2.gz KPEYBWITLBHTFQ-JTQLQIEISA-N 1 0 247.298 1.040 10 0 BDAERO CC(C)[NH2+]CCN1C[C@H]2CCC[C@@H](C1)C2O ZINC000193446135 357077355 /nfs/dbraw/zinc/07/73/55/357077355.db2.gz JMHQJOHOXDDBDG-FUNVUKJBSA-N 1 0 226.364 1.077 10 0 BDAERO Cc1ccncc1C(=O)C[C@H]1CCC[NH2+]1 ZINC000168749500 357211439 /nfs/dbraw/zinc/21/14/39/357211439.db2.gz IEHBFTVUWVUDKU-SNVBAGLBSA-N 1 0 204.273 1.715 10 0 BDAERO O[C@]1(Cc2nccs2)CCC[NH2+]CC1 ZINC000160706277 357184158 /nfs/dbraw/zinc/18/41/58/357184158.db2.gz VLKNJYGNYHUJJX-SNVBAGLBSA-N 1 0 212.318 1.190 10 0 BDAERO C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@H]2O)CCC1 ZINC000393696647 357293520 /nfs/dbraw/zinc/29/35/20/357293520.db2.gz OOVOJVSNQCZYNN-UVWXRNBGSA-N 1 0 245.388 1.181 10 0 BDAERO COCC[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)C(C)C ZINC000168396370 134197874 /nfs/dbraw/zinc/19/78/74/134197874.db2.gz MJKPVVVDNLQWSN-AGIUHOORSA-N 1 0 229.364 1.798 10 0 BDAERO CC/C=C/C[NH2+]C[C@H](O)COCc1ccco1 ZINC000395100028 357411775 /nfs/dbraw/zinc/41/17/75/357411775.db2.gz CJAUFSRRARWTRL-PCAWENJQSA-N 1 0 239.315 1.713 10 0 BDAERO Cc1cnccc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000395391634 357437809 /nfs/dbraw/zinc/43/78/09/357437809.db2.gz WYCWPLCAXQQVJP-PWSUYJOCSA-N 1 0 205.305 1.169 10 0 BDAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cn1 ZINC000158083317 538849405 /nfs/dbraw/zinc/84/94/05/538849405.db2.gz OAENZJPEDWEMIW-NWDGAFQWSA-N 1 0 236.315 1.483 10 0 BDAERO CCOC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCO2 ZINC000260829532 538852807 /nfs/dbraw/zinc/85/28/07/538852807.db2.gz ZSEQNTZBOMCERG-JTQLQIEISA-N 1 0 235.283 1.688 10 0 BDAERO FC(F)COCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000188781131 357573842 /nfs/dbraw/zinc/57/38/42/357573842.db2.gz VDPGFUDDRSRPOM-GHMZBOCLSA-N 1 0 249.301 1.912 10 0 BDAERO F[C@@]1(C2CCOCC2)CCC[NH2+]CC1 ZINC000160727071 357519431 /nfs/dbraw/zinc/51/94/31/357519431.db2.gz UDLQJUUWACPXKZ-NSHDSACASA-N 1 0 201.285 1.895 10 0 BDAERO CCN(CC)CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230379003 357531791 /nfs/dbraw/zinc/53/17/91/357531791.db2.gz QYXOWXWTCRUWMO-CYBMUJFWSA-N 1 0 228.380 1.565 10 0 BDAERO CCOC(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC000261130604 538858294 /nfs/dbraw/zinc/85/82/94/538858294.db2.gz KENIONQDHWCOCP-UHFFFAOYSA-N 1 0 221.256 1.345 10 0 BDAERO Cc1ccc(NC(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000063170764 357551591 /nfs/dbraw/zinc/55/15/91/357551591.db2.gz LHLRWRZCXNPQRM-SNVBAGLBSA-N 1 0 221.304 1.854 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@@]2(C)CC[NH2+]C2)o1 ZINC000231744420 357624193 /nfs/dbraw/zinc/62/41/93/357624193.db2.gz VWHZNAHGXPRPPN-SKDRFNHKSA-N 1 0 237.303 1.160 10 0 BDAERO O=C(NC[C@H]1CC=CCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188868799 357593329 /nfs/dbraw/zinc/59/33/29/357593329.db2.gz SCJYQGSMPREYTI-GARJFASQSA-N 1 0 226.295 1.159 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH2+]CC[C@@H]12 ZINC000263619828 538879078 /nfs/dbraw/zinc/87/90/78/538879078.db2.gz FIXKSCLVBGKPPJ-GMTAPVOTSA-N 1 0 240.347 1.899 10 0 BDAERO CC[C@@]1([NH3+])CCCN(C(=O)NCC(C)C)C1 ZINC000685946560 538885837 /nfs/dbraw/zinc/88/58/37/538885837.db2.gz CPIDMPWISNFOHP-GFCCVEGCSA-N 1 0 227.352 1.555 10 0 BDAERO C/C=C/C(=O)N[C@H]1C[NH2+]CC[C@@H]1CC(C)C ZINC000685939274 538886129 /nfs/dbraw/zinc/88/61/29/538886129.db2.gz SMUFTFNSTWQOIY-RVAOTSRCSA-N 1 0 224.348 1.703 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]C[C@]2(C)N)cc1C ZINC000685945819 538886776 /nfs/dbraw/zinc/88/67/76/538886776.db2.gz BQERXUYRJXPKFE-AAEUAGOBSA-N 1 0 220.316 1.408 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@H]1c1ccc(F)c(C)c1 ZINC000685945863 538887143 /nfs/dbraw/zinc/88/71/43/538887143.db2.gz CSHWPQUDKURUSE-WCQYABFASA-N 1 0 222.307 1.928 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000685945911 538887571 /nfs/dbraw/zinc/88/75/71/538887571.db2.gz FWNLSDUMLMDMLS-IVZWLZJFSA-N 1 0 231.315 1.112 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@@H]1c1cc(F)cc(F)c1 ZINC000685946338 538888028 /nfs/dbraw/zinc/88/80/28/538888028.db2.gz PQIGHBNGZSEQAQ-GHMZBOCLSA-N 1 0 212.243 1.369 10 0 BDAERO [NH3+][C@H]1CCCC12CCN(C(=O)C1CC1)CC2 ZINC000685946811 538888032 /nfs/dbraw/zinc/88/80/32/538888032.db2.gz NRQKLXSMNBFSFR-NSHDSACASA-N 1 0 222.332 1.516 10 0 BDAERO CC(C)C(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000685947357 538889306 /nfs/dbraw/zinc/88/93/06/538889306.db2.gz UXJIZYWWFUOUNK-NSHDSACASA-N 1 0 224.348 1.762 10 0 BDAERO CCCCNC(=O)NC1CCC(C)([NH3+])CC1 ZINC000685947364 538889322 /nfs/dbraw/zinc/88/93/22/538889322.db2.gz KCWWTYNSZPASTE-UHFFFAOYSA-N 1 0 227.352 1.746 10 0 BDAERO CC(C)[C@@H](C)NC(=O)N1CCC[C@]1(C)C[NH3+] ZINC000685947801 538889777 /nfs/dbraw/zinc/88/97/77/538889777.db2.gz PZNULJODEAFXRE-ZYHUDNBSSA-N 1 0 227.352 1.554 10 0 BDAERO CC[C@@]1(NC(=O)NCC(C)C)CCC[NH2+]C1 ZINC000685948177 538890259 /nfs/dbraw/zinc/89/02/59/538890259.db2.gz ZLJJNFCXOMFSSX-GFCCVEGCSA-N 1 0 227.352 1.474 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1[C@@H]1CCNC[C@@H]1F ZINC000685948452 538891033 /nfs/dbraw/zinc/89/10/33/538891033.db2.gz OJWCJXJMDGOCAI-OUAUKWLOSA-N 1 0 200.301 1.561 10 0 BDAERO CCCC(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685948790 538892002 /nfs/dbraw/zinc/89/20/02/538892002.db2.gz FVNONKHEUBIPLI-JQWIXIFHSA-N 1 0 210.321 1.659 10 0 BDAERO C[C@@H](O)C[N@H+](C)[C@H]1CCOC12CCCC2 ZINC000685949074 538892109 /nfs/dbraw/zinc/89/21/09/538892109.db2.gz JYELJNQCCBHVLW-MNOVXSKESA-N 1 0 213.321 1.401 10 0 BDAERO [NH3+]C[C@H]1Cc2ccccc2O[C@@H]1C(F)F ZINC000685949136 538892571 /nfs/dbraw/zinc/89/25/71/538892571.db2.gz KPMQMJIHRXFKHI-SCZZXKLOSA-N 1 0 213.227 1.830 10 0 BDAERO CC(C)CC(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685949578 538892796 /nfs/dbraw/zinc/89/27/96/538892796.db2.gz ULAIQIALHCUVCS-DGCLKSJQSA-N 1 0 224.348 1.905 10 0 BDAERO CC(C)S(=O)(=O)N1CC[C@]2([NH3+])CCCC[C@@H]12 ZINC000685949880 538892819 /nfs/dbraw/zinc/89/28/19/538892819.db2.gz ZVYDRJSPCIBXRF-GHMZBOCLSA-N 1 0 246.376 1.070 10 0 BDAERO CC(C)S(=O)(=O)N1CC[C@@]2([NH3+])CCCC[C@H]12 ZINC000685949885 538893186 /nfs/dbraw/zinc/89/31/86/538893186.db2.gz ZVYDRJSPCIBXRF-QWRGUYRKSA-N 1 0 246.376 1.070 10 0 BDAERO CC(C)=CC[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000232632960 357669810 /nfs/dbraw/zinc/66/98/10/357669810.db2.gz HDDQQGSWNRQXAO-QWHCGFSZSA-N 1 0 225.332 1.880 10 0 BDAERO CC(C)C1CC([NH2+]C[C@H]2CN(C)CCO2)C1 ZINC000232537864 357670229 /nfs/dbraw/zinc/67/02/29/357670229.db2.gz LMOAEWWFDNAJSB-BPCQOVAHSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CC[C@H](F)C1 ZINC000685951446 538895099 /nfs/dbraw/zinc/89/50/99/538895099.db2.gz UPESPTKIXYWYQG-ZRUFSTJUSA-N 1 0 200.301 1.274 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@H]1CS[C@H](C)C1 ZINC000397737239 357674101 /nfs/dbraw/zinc/67/41/01/357674101.db2.gz UAAKVGKJKGLYJH-IJLUTSLNSA-N 1 0 247.404 1.648 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CC[C@@H](F)C1 ZINC000685951444 538895287 /nfs/dbraw/zinc/89/52/87/538895287.db2.gz UPESPTKIXYWYQG-OPRDCNLKSA-N 1 0 200.301 1.274 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1[C@@H](C)COC[C@@H]1C ZINC000685951716 538895536 /nfs/dbraw/zinc/89/55/36/538895536.db2.gz WEZVPLINQXHYSR-FPYNETTCSA-N 1 0 226.364 1.340 10 0 BDAERO CCn1nc(C)c([C@H](C)[NH2+]CC[C@H](C)O)c1C ZINC000085982869 357706993 /nfs/dbraw/zinc/70/69/93/357706993.db2.gz ZRNKKLOJSGHZQO-UWVGGRQHSA-N 1 0 239.363 1.941 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397811861 357708708 /nfs/dbraw/zinc/70/87/08/357708708.db2.gz JFJZWDYMHCWRGE-YVECIDJPSA-N 1 0 227.348 1.552 10 0 BDAERO CCOC(C[NH2+][C@@H]1CCO[C@H]1C1CC1)OCC ZINC000233706556 357737136 /nfs/dbraw/zinc/73/71/36/357737136.db2.gz JPCMKAJXFLBFFZ-YPMHNXCESA-N 1 0 243.347 1.543 10 0 BDAERO CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000398503374 357886253 /nfs/dbraw/zinc/88/62/53/357886253.db2.gz MVGOMCMCUQOPLM-QJPTWQEYSA-N 1 0 215.337 1.431 10 0 BDAERO O=C1OCC[C@H]2C[N@@H+](CCCCl)C[C@H]12 ZINC000218418464 357924705 /nfs/dbraw/zinc/92/47/05/357924705.db2.gz YJUBTURIGYLJCK-IUCAKERBSA-N 1 0 217.696 1.110 10 0 BDAERO Cc1ccc(O)c(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000235653505 357926706 /nfs/dbraw/zinc/92/67/06/357926706.db2.gz UWWFTDNNVIFNNP-GXSJLCMTSA-N 1 0 234.299 1.120 10 0 BDAERO CC(C)=CC[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000192316298 535371181 /nfs/dbraw/zinc/37/11/81/535371181.db2.gz XYYKWZWIOIRADB-LLVKDONJSA-N 1 0 205.305 1.823 10 0 BDAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCOC1CCC1 ZINC000639938683 357944004 /nfs/dbraw/zinc/94/40/04/357944004.db2.gz ILZOJRGSSNVXHN-GHMZBOCLSA-N 1 0 213.321 1.401 10 0 BDAERO CC(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000168884197 357968815 /nfs/dbraw/zinc/96/88/15/357968815.db2.gz QSMFWQKGGNPMLS-RKDXNWHRSA-N 1 0 200.282 1.343 10 0 BDAERO CC(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000168884464 357969213 /nfs/dbraw/zinc/96/92/13/357969213.db2.gz QSMFWQKGGNPMLS-IUCAKERBSA-N 1 0 200.282 1.343 10 0 BDAERO C([NH2+][C@@H]1CCCOC1)[C@@H]1CC12CCOCC2 ZINC000309321985 491117738 /nfs/dbraw/zinc/11/77/38/491117738.db2.gz FIARLKIZEYZVER-NWDGAFQWSA-N 1 0 225.332 1.572 10 0 BDAERO [NH3+]C[C@H]1CCCN1Cc1nnc(Cl)s1 ZINC000168932363 358000556 /nfs/dbraw/zinc/00/05/56/358000556.db2.gz IQORCYDWZOGIHX-ZCFIWIBFSA-N 1 0 232.740 1.115 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000168985907 358005863 /nfs/dbraw/zinc/00/58/63/358005863.db2.gz NGOJDCPTNJRIFL-SNVBAGLBSA-N 1 0 211.305 1.372 10 0 BDAERO [NH3+]CC1(CNc2ccc(Cl)cn2)CC1 ZINC000169003444 358009207 /nfs/dbraw/zinc/00/92/07/358009207.db2.gz AWYWBYPVBHEPQR-UHFFFAOYSA-N 1 0 211.696 1.886 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCc2ccccc2CC1 ZINC000079572646 358106143 /nfs/dbraw/zinc/10/61/43/358106143.db2.gz FKRIUYBDYOJNNH-AWEZNQCLSA-N 1 0 244.338 1.223 10 0 BDAERO COC(=O)c1ccc(C)cc1NC(=O)[C@H](C)[NH3+] ZINC000584653910 358119297 /nfs/dbraw/zinc/11/92/97/358119297.db2.gz SXYBHWCFKGCERM-QMMMGPOBSA-N 1 0 236.271 1.067 10 0 BDAERO CSCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171635292 134257722 /nfs/dbraw/zinc/25/77/22/134257722.db2.gz DORLJYBNRRLXTA-SNVBAGLBSA-N 1 0 226.349 1.278 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CC(C)(C)C1 ZINC000395241479 491125793 /nfs/dbraw/zinc/12/57/93/491125793.db2.gz YUMUHMNGUQQOSN-MWLCHTKSSA-N 1 0 224.348 1.679 10 0 BDAERO O=NN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000039219476 358220617 /nfs/dbraw/zinc/22/06/17/358220617.db2.gz ZQSFMPBEDRJMOD-UHFFFAOYSA-N 1 0 244.298 1.967 10 0 BDAERO C[NH+](C)C[C@@H]1CCc2ccccc2N1C=O ZINC000584612861 358276275 /nfs/dbraw/zinc/27/62/75/358276275.db2.gz ORVSJYFJYDHHKT-LBPRGKRZSA-N 1 0 218.300 1.526 10 0 BDAERO C[N@@H+]1C[C@H](O)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21 ZINC000584602711 358260703 /nfs/dbraw/zinc/26/07/03/358260703.db2.gz YGYBLEBXWGWNNS-GPCCPHFNSA-N 1 0 242.322 1.658 10 0 BDAERO CC(=O)c1c(C)cc(C)cc1OC[C@H](O)C[NH3+] ZINC000584603775 358262245 /nfs/dbraw/zinc/26/22/45/358262245.db2.gz MKRRXLYBFTVNEE-LLVKDONJSA-N 1 0 237.299 1.204 10 0 BDAERO O=C(c1ccncc1)[C@H]1CC2CC[NH+]1CC2 ZINC000584605947 358265236 /nfs/dbraw/zinc/26/52/36/358265236.db2.gz AGPHCKRUQYHTJA-GFCCVEGCSA-N 1 0 216.284 1.749 10 0 BDAERO CC[C@@H]1CC[C@@H](CCN2CCOCC2)[NH2+]C1 ZINC000584607087 358267368 /nfs/dbraw/zinc/26/73/68/358267368.db2.gz AKXHKHXAAZWFKF-OLZOCXBDSA-N 1 0 226.364 1.487 10 0 BDAERO CCOC(=O)C[C@H](CC[NH+](C)C)C(=O)OCC ZINC000584621351 358288668 /nfs/dbraw/zinc/28/86/68/358288668.db2.gz WYSKNYSPRVBLPC-JTQLQIEISA-N 1 0 245.319 1.071 10 0 BDAERO COC(=O)[C@@H]1C[C@@H]([NH3+])c2ccc(OC)cc2O1 ZINC000584626250 358295816 /nfs/dbraw/zinc/29/58/16/358295816.db2.gz GJDBEVKHUCOGPF-KOLCDFICSA-N 1 0 237.255 1.019 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](F)C[C@@H]1[NH3+] ZINC000584647443 358301691 /nfs/dbraw/zinc/30/16/91/358301691.db2.gz ILIYPVBAEAZKOC-HRDYMLBCSA-N 1 0 232.299 1.729 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](F)[C@@H]1[NH3+] ZINC000584647567 358302218 /nfs/dbraw/zinc/30/22/18/358302218.db2.gz PBBNPHJZXVOGOX-YIZRAAEISA-N 1 0 232.299 1.729 10 0 BDAERO Nc1[nH]cc(-c2ccc(C(F)(F)F)nc2)[nH+]1 ZINC000584644500 358329301 /nfs/dbraw/zinc/32/93/01/358329301.db2.gz VJFHUMQSJIJHLL-UHFFFAOYSA-N 1 0 228.177 1.903 10 0 BDAERO C[C@@H]1[N@H+](C)CC[C@]1(O)Cc1ccccc1 ZINC000584635243 358319518 /nfs/dbraw/zinc/31/95/18/358319518.db2.gz 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OC1(Cc2cccc(Cl)c2F)C[NH2+]C1 ZINC000228253687 359590005 /nfs/dbraw/zinc/59/00/05/359590005.db2.gz RVAZYZDHVUWLNJ-UHFFFAOYSA-N 1 0 215.655 1.356 10 0 BDAERO CCN(CC)CCNC1=[NH+]CCc2ccccc21 ZINC000000001583 359614243 /nfs/dbraw/zinc/61/42/43/359614243.db2.gz WLDFBDNWPZFNJD-UHFFFAOYSA-N 1 0 245.370 1.921 10 0 in-man BDAERO FCCNC1=[NH+][C@@H]2CCC[C@@H]2CS1 ZINC000306327274 359610135 /nfs/dbraw/zinc/61/01/35/359610135.db2.gz VBGLAHGNGCSXKL-HTQZYQBOSA-N 1 0 202.298 1.817 10 0 BDAERO [NH3+]CC[C@@H](O)c1cscc1Br ZINC000130355650 359611117 /nfs/dbraw/zinc/61/11/17/359611117.db2.gz SMXIDFLNFACBIP-SSDOTTSWSA-N 1 0 236.134 1.893 10 0 BDAERO CC[C@@](C)([C@H](C)O)[N@@H+]1CCCSCC1 ZINC000306329385 359611160 /nfs/dbraw/zinc/61/11/60/359611160.db2.gz ZHUQMVIOIVEDRE-QWRGUYRKSA-N 1 0 217.378 1.975 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000623764866 359631312 /nfs/dbraw/zinc/63/13/12/359631312.db2.gz LDIAWAKPAYJKEQ-WREBYIDWSA-N 1 0 233.311 1.439 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCOC[C@H]2O)c(C)s1 ZINC000623764844 359631662 /nfs/dbraw/zinc/63/16/62/359631662.db2.gz KUIHSTUHQQIPNY-NWDGAFQWSA-N 1 0 241.356 1.604 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(Br)nc1 ZINC000306331346 359632324 /nfs/dbraw/zinc/63/23/24/359632324.db2.gz CVHMZOVYDBNPIQ-RQJHMYQMSA-N 1 0 244.136 1.992 10 0 BDAERO CN(c1ccnc(Cl)n1)[C@H]1CC[N@H+](C)C1 ZINC000306336309 359635957 /nfs/dbraw/zinc/63/59/57/359635957.db2.gz GWHDULDAQBGUHS-QMMMGPOBSA-N 1 0 226.711 1.270 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1c1c(Br)nnn1C ZINC000306349911 359668294 /nfs/dbraw/zinc/66/82/94/359668294.db2.gz LBZGNPAANRAPFI-WDSKDSINSA-N 1 0 245.124 1.043 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1c1c(Br)nnn1C ZINC000306349907 359668897 /nfs/dbraw/zinc/66/88/97/359668897.db2.gz LBZGNPAANRAPFI-NTSWFWBYSA-N 1 0 245.124 1.043 10 0 BDAERO C[C@H]1CCS[C@]2(COCC2(C)C)[NH2+]1 ZINC000306372244 359705321 /nfs/dbraw/zinc/70/53/21/359705321.db2.gz HYBXPJKMNQUREY-WPRPVWTQSA-N 1 0 201.335 1.854 10 0 BDAERO C[N@H+](C[C@@H]1COCCC1=O)C1CCCC1 ZINC000231306792 359732742 /nfs/dbraw/zinc/73/27/42/359732742.db2.gz KHVWKMJBRFBHSS-SNVBAGLBSA-N 1 0 211.305 1.466 10 0 BDAERO [NH3+][C@@H]1CC[C@](F)(Cc2csnn2)C1 ZINC000306385279 359736565 /nfs/dbraw/zinc/73/65/65/359736565.db2.gz COBVESOCWLWITL-HTRCEHHLSA-N 1 0 201.270 1.300 10 0 BDAERO [NH3+][C@]1(c2ccc(Br)cn2)CCOC1 ZINC000306410969 359818279 /nfs/dbraw/zinc/81/82/79/359818279.db2.gz MYQBCMUPKVGTOA-SECBINFHSA-N 1 0 243.104 1.418 10 0 BDAERO C[C@@H]1CCSC(N[C@@H]2CCSC2)=[NH+]1 ZINC000231359842 359915074 /nfs/dbraw/zinc/91/50/74/359915074.db2.gz BPAPYHRRNIBMBD-HTQZYQBOSA-N 1 0 216.375 1.963 10 0 BDAERO CC[C@@H]1CSC(N[C@H]2CCSC2)=[NH+]1 ZINC000231359939 359916056 /nfs/dbraw/zinc/91/60/56/359916056.db2.gz UWGDIPVWZIRJEM-SFYZADRCSA-N 1 0 216.375 1.963 10 0 BDAERO COc1ccccc1[C@@H]1CO[C@H](C[NH3+])C1 ZINC000536956745 360007606 /nfs/dbraw/zinc/00/76/06/360007606.db2.gz BFJNOEGVUIHKHO-UWVGGRQHSA-N 1 0 207.273 1.526 10 0 BDAERO OC[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876823 360092356 /nfs/dbraw/zinc/09/23/56/360092356.db2.gz BTOOOHKFPSXAMS-OLZOCXBDSA-N 1 0 233.311 1.447 10 0 BDAERO OC[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc3O2)C1 ZINC000090876804 360092758 /nfs/dbraw/zinc/09/27/58/360092758.db2.gz WSBKBKNQHIPVRS-GXTWGEPZSA-N 1 0 247.338 1.694 10 0 BDAERO CC(C)[C@@H]1CN(C2C[NH2+]C2)CCS1 ZINC000306468366 360082095 /nfs/dbraw/zinc/08/20/95/360082095.db2.gz MHJUYTRJGITBFF-JTQLQIEISA-N 1 0 200.351 1.032 10 0 BDAERO COC(=O)[C@H]1C[N@H+](CC(C)(C)C)C[C@@H](C)O1 ZINC000092013510 360145758 /nfs/dbraw/zinc/14/57/58/360145758.db2.gz UBNVBTLSCGQUEA-NXEZZACHSA-N 1 0 229.320 1.295 10 0 BDAERO Cc1cccc(CC(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000091496718 360118871 /nfs/dbraw/zinc/11/88/71/360118871.db2.gz XBQOCIHDHPVBRN-GXTWGEPZSA-N 1 0 246.354 1.794 10 0 BDAERO Cc1csc([C@@H]([NH3+])c2cncnc2)c1 ZINC000306492251 360205213 /nfs/dbraw/zinc/20/52/13/360205213.db2.gz PQMHHQQLTUTXFK-JTQLQIEISA-N 1 0 205.286 1.895 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](CCNc2ncns2)C1 ZINC000306487845 360175723 /nfs/dbraw/zinc/17/57/23/360175723.db2.gz JFZGHVNAMBJOEA-JGVFFNPUSA-N 1 0 212.322 1.468 10 0 BDAERO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2CO)on1 ZINC000309392123 491147910 /nfs/dbraw/zinc/14/79/10/491147910.db2.gz HWEZKKZOSZAVJD-JQWIXIFHSA-N 1 0 224.304 1.624 10 0 BDAERO O[C@@H](c1cscc1Br)C1C[NH2+]C1 ZINC000306499693 360251145 /nfs/dbraw/zinc/25/11/45/360251145.db2.gz WNJSHBRKXZUOBZ-MRVPVSSYSA-N 1 0 248.145 1.763 10 0 BDAERO C[C@H]1CC[NH2+]CCN1CC=C(Cl)Cl ZINC000403820609 360295845 /nfs/dbraw/zinc/29/58/45/360295845.db2.gz KULJPSRHBHQVJC-QMMMGPOBSA-N 1 0 223.147 1.989 10 0 BDAERO Cc1c(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cnn1C ZINC000093649619 360266222 /nfs/dbraw/zinc/26/62/22/360266222.db2.gz PTPXZKIHXZNKRJ-ZIAGYGMSSA-N 1 0 248.374 1.445 10 0 BDAERO CC[C@H]1C[NH2+]CCN1[C@@H]1CCSC1 ZINC000231423811 360336091 /nfs/dbraw/zinc/33/60/91/360336091.db2.gz XEEJZYYRTFLHFT-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO [NH3+][C@H](Cc1csnn1)c1cscn1 ZINC000306520029 360343522 /nfs/dbraw/zinc/34/35/22/360343522.db2.gz DFUCSEBKEYQOJL-ZCFIWIBFSA-N 1 0 212.303 1.237 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309444602 491148339 /nfs/dbraw/zinc/14/83/39/491148339.db2.gz JJYZEGZGSJPKAU-AGIUHOORSA-N 1 0 224.348 1.095 10 0 BDAERO c1cc([C@H]2CCCN2C2C[NH2+]C2)cs1 ZINC000306538424 360399704 /nfs/dbraw/zinc/39/97/04/360399704.db2.gz MKEIBRGIDFOOMH-LLVKDONJSA-N 1 0 208.330 1.857 10 0 BDAERO C[C@H](N1CC[NH2+]C[C@@H](C)C1)C(F)(F)F ZINC000306531435 360388293 /nfs/dbraw/zinc/38/82/93/360388293.db2.gz AKHKMBPMSOKNPA-SFYZADRCSA-N 1 0 210.243 1.479 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)Cc2ccoc2)C[NH2+]1 ZINC000306564087 360443144 /nfs/dbraw/zinc/44/31/44/360443144.db2.gz DMZBGXZFVILZFF-KOLCDFICSA-N 1 0 207.273 1.779 10 0 BDAERO C[C@H]1C[C@H](N2C(=O)c3ccccc3C2=O)C[NH2+]1 ZINC000306565426 360445783 /nfs/dbraw/zinc/44/57/83/360445783.db2.gz FKISWIBUHKPVHB-IUCAKERBSA-N 1 0 230.267 1.033 10 0 BDAERO Cc1ncc([C@H]([NH3+])Cc2csnn2)s1 ZINC000306537356 360402926 /nfs/dbraw/zinc/40/29/26/360402926.db2.gz IINWYJADPALBCO-SSDOTTSWSA-N 1 0 226.330 1.546 10 0 BDAERO CN(C)c1ncc(C[NH3+])cc1Br ZINC000306539645 360405145 /nfs/dbraw/zinc/40/51/45/360405145.db2.gz VJBNJMPUMFJBBX-UHFFFAOYSA-N 1 0 230.109 1.369 10 0 BDAERO C[NH2+]Cc1nc2cncc(Br)c2[nH]1 ZINC000306543068 360411613 /nfs/dbraw/zinc/41/16/13/360411613.db2.gz ZSIFYUAOTQZJHT-UHFFFAOYSA-N 1 0 241.092 1.440 10 0 BDAERO C[NH2+]C1(CN2CCCSCC2)CCC1 ZINC000306545355 360414292 /nfs/dbraw/zinc/41/42/92/360414292.db2.gz ATWQPZXVFUETNN-UHFFFAOYSA-N 1 0 214.378 1.567 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[C@@H]1C[NH2+]C[C@H]1C(N)=O ZINC000306549906 360421229 /nfs/dbraw/zinc/42/12/29/360421229.db2.gz DZPPXUBQYOZBFO-VPOLOUISSA-N 1 0 210.321 1.134 10 0 BDAERO C[C@@H]1CCS[C@](C)([C@@H]2CC[NH2+]C2)N1 ZINC000306553649 360426224 /nfs/dbraw/zinc/42/62/24/360426224.db2.gz DNUWWUMCCZSRQR-OPRDCNLKSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@@H]1CCS[C@@](C)([C@@H]2CC[NH2+]C2)N1 ZINC000306553647 360426437 /nfs/dbraw/zinc/42/64/37/360426437.db2.gz DNUWWUMCCZSRQR-BBBLOLIVSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000306556473 360431331 /nfs/dbraw/zinc/43/13/31/360431331.db2.gz MOCSNWHNBOTWAZ-SGIHWFKDSA-N 1 0 201.335 1.383 10 0 BDAERO C[C@@H]([NH3+])c1cncn1[C@@H]1CS[C@@H](C)C1 ZINC000306581983 360479940 /nfs/dbraw/zinc/47/99/40/360479940.db2.gz OZNBLSHIZIUCKM-YIZRAAEISA-N 1 0 211.334 1.969 10 0 BDAERO COC[C@@H](C)C[NH2+][C@@H]1CCc2nccn2C1 ZINC000309470847 491149234 /nfs/dbraw/zinc/14/92/34/491149234.db2.gz QQVCCDYPHXHURV-WDEREUQCSA-N 1 0 223.320 1.070 10 0 BDAERO CC[C@@H]1CS[C@](C)([C@H]2CC[NH2+]C2)N1 ZINC000306588868 360494099 /nfs/dbraw/zinc/49/40/99/360494099.db2.gz WDMSQGQLTRKRNU-IVZWLZJFSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@H](O)[C@@](C)(C[NH3+])c1ccncc1Cl ZINC000306569440 360452787 /nfs/dbraw/zinc/45/27/87/360452787.db2.gz WNMTUZDJBZGJAI-OIBJUYFYSA-N 1 0 214.696 1.332 10 0 BDAERO CC(C)=CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000300758782 360454773 /nfs/dbraw/zinc/45/47/73/360454773.db2.gz LEMAPBDKNDPGLG-WDEREUQCSA-N 1 0 208.305 1.306 10 0 BDAERO C[NH2+]Cc1cn([C@H]2CSC[C@H]2C)cn1 ZINC000306578712 360468692 /nfs/dbraw/zinc/46/86/92/360468692.db2.gz MKNVOCDUFWQDGJ-SCZZXKLOSA-N 1 0 211.334 1.527 10 0 BDAERO C[C@@H]1CSCCN([C@@H]2CC[NH2+]C2)C1 ZINC000306603867 360532032 /nfs/dbraw/zinc/53/20/32/360532032.db2.gz XXDGTYGKBGQWHQ-VHSXEESVSA-N 1 0 200.351 1.033 10 0 BDAERO C[C@H]1CSCCN([C@@H]2CC[NH2+]C2)C1 ZINC000306603864 360532165 /nfs/dbraw/zinc/53/21/65/360532165.db2.gz XXDGTYGKBGQWHQ-NXEZZACHSA-N 1 0 200.351 1.033 10 0 BDAERO CSC1CCN([C@H](C)C(N)=[NH2+])CC1 ZINC000300783352 360502883 /nfs/dbraw/zinc/50/28/83/360502883.db2.gz BTCQPMJZAILVJG-SSDOTTSWSA-N 1 0 201.339 1.138 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCc2sc(=O)[nH]c21 ZINC000306591959 360512227 /nfs/dbraw/zinc/51/22/27/360512227.db2.gz ZBAJICLFATWFCG-SSDOTTSWSA-N 1 0 212.318 1.877 10 0 BDAERO CC1(C)[C@H](C(F)(F)F)CCN1C(N)=[NH2+] ZINC000306597704 360519490 /nfs/dbraw/zinc/51/94/90/360519490.db2.gz ORBWLRXGECVLAR-RXMQYKEDSA-N 1 0 209.215 1.543 10 0 BDAERO NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H]([NH3+])CC3 ZINC000006093980 181302005 /nfs/dbraw/zinc/30/20/05/181302005.db2.gz PMQBOSGFSARWCB-QMMMGPOBSA-N 1 0 229.283 1.083 10 0 BDAERO Fc1cc(Cl)cc2c1OCC[NH2+]C2 ZINC000306611844 360852620 /nfs/dbraw/zinc/85/26/20/360852620.db2.gz HGJMFWZRNHLOJP-UHFFFAOYSA-N 1 0 201.628 1.961 10 0 BDAERO C[C@@H]1C[S@@](=O)c2ccc(F)cc2[C@@H]1[NH3+] ZINC000040974098 360983005 /nfs/dbraw/zinc/98/30/05/360983005.db2.gz WFIWLYQHYDERSR-ULRLDYLFSA-N 1 0 213.277 1.583 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCC[C@H]1C ZINC000424168624 200874127 /nfs/dbraw/zinc/87/41/27/200874127.db2.gz IQGRYZRDRQVPIV-WYUUTHIRSA-N 1 0 224.348 1.761 10 0 BDAERO [NH3+]CC[C@H]1C(=O)Nc2cc(F)c(F)cc21 ZINC000157704826 361121358 /nfs/dbraw/zinc/12/13/58/361121358.db2.gz SFSYVVFQIBZLGR-RXMQYKEDSA-N 1 0 212.199 1.349 10 0 BDAERO CC[C@H]1CC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000309720132 491154955 /nfs/dbraw/zinc/15/49/55/491154955.db2.gz VSECOBWYJIDKSG-AAEUAGOBSA-N 1 0 226.364 1.221 10 0 BDAERO CCC1CCC(NC(=O)NCC[NH+](C)C)CC1 ZINC000133486437 491154986 /nfs/dbraw/zinc/15/49/86/491154986.db2.gz JXTWFGNLPILOTO-UHFFFAOYSA-N 1 0 241.379 1.816 10 0 BDAERO CC[C@]1(CNc2ncns2)CCC[NH2+]1 ZINC000306620485 361203959 /nfs/dbraw/zinc/20/39/59/361203959.db2.gz WYPYPYOFAIGUKL-SECBINFHSA-N 1 0 212.322 1.482 10 0 BDAERO CC(C)(C)[C@H](C[NH3+])N1CCSCC1 ZINC000041051539 361206599 /nfs/dbraw/zinc/20/65/99/361206599.db2.gz DHFURAJBYZBEML-VIFPVBQESA-N 1 0 202.367 1.409 10 0 BDAERO CSCCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000158816009 361212342 /nfs/dbraw/zinc/21/23/42/361212342.db2.gz YTLJARPBYBUDCA-NXEZZACHSA-N 1 0 230.377 1.101 10 0 BDAERO [NH3+]C1(C(=O)NC2CCC(O)CC2)CCCCC1 ZINC000019480346 181326263 /nfs/dbraw/zinc/32/62/63/181326263.db2.gz MWKCEFMZBQKEMB-UHFFFAOYSA-N 1 0 240.347 1.068 10 0 BDAERO C[C@H](CCCCO)[NH2+][C@H](C)c1ncnn1C ZINC000309750994 491155591 /nfs/dbraw/zinc/15/55/91/491155591.db2.gz KNSPLGVAABUBLR-NXEZZACHSA-N 1 0 226.324 1.017 10 0 BDAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(CCO)C1 ZINC000309757340 491155660 /nfs/dbraw/zinc/15/56/60/491155660.db2.gz HVIVFWPTLLFJCZ-JHJVBQTASA-N 1 0 226.364 1.221 10 0 BDAERO [NH3+]C1(C(=O)Nc2ccon2)CCCCC1 ZINC000061684266 181329677 /nfs/dbraw/zinc/32/96/77/181329677.db2.gz ZCOLQCZRCFALGU-UHFFFAOYSA-N 1 0 209.249 1.275 10 0 BDAERO COC1(C[C@H](C)[NH2+][C@@H]2CCCNC2=O)CCC1 ZINC000429408132 201107580 /nfs/dbraw/zinc/10/75/80/201107580.db2.gz KPVIOKHUABBVRV-WDEREUQCSA-N 1 0 240.347 1.202 10 0 BDAERO [NH3+]C1(Cc2ccc3c(c2)OCO3)CCC1 ZINC000016764690 181332348 /nfs/dbraw/zinc/33/23/48/181332348.db2.gz AQNQWUFQWYLQJL-UHFFFAOYSA-N 1 0 205.257 1.839 10 0 BDAERO [NH3+]C1(c2nccs2)CCSCC1 ZINC000041059964 181334836 /nfs/dbraw/zinc/33/48/36/181334836.db2.gz RZUYHTQBASFAJH-UHFFFAOYSA-N 1 0 200.332 1.824 10 0 BDAERO COCC[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000151849674 201186382 /nfs/dbraw/zinc/18/63/82/201186382.db2.gz NSZDJLNJJSLDKS-AVGNSLFASA-N 1 0 228.380 1.730 10 0 BDAERO C[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007682 361591909 /nfs/dbraw/zinc/59/19/09/361591909.db2.gz NDZBETUWQBQJPJ-RNFRBKRXSA-N 1 0 228.242 1.489 10 0 BDAERO C[C@H](NC(=O)CCC[NH3+])c1cc(F)ccc1F ZINC000037007698 361592042 /nfs/dbraw/zinc/59/20/42/361592042.db2.gz DXPNOVUFNAEYFD-QMMMGPOBSA-N 1 0 242.269 1.881 10 0 BDAERO C[C@H]([C@@H]1CNCCO1)[N@H+](C)C(C)(C)C ZINC000306638414 361586648 /nfs/dbraw/zinc/58/66/48/361586648.db2.gz BZXCDJWTMPTCOO-ZJUUUORDSA-N 1 0 200.326 1.094 10 0 BDAERO [NH3+]C1CC(NC(=O)c2ccccc2Cl)C1 ZINC000036237255 181340232 /nfs/dbraw/zinc/34/02/32/181340232.db2.gz FIVBUEQLZSITAI-UHFFFAOYSA-N 1 0 224.691 1.560 10 0 BDAERO [NH2+]=C1N[C@@]2(CO1)CCc1cccc(Cl)c1C2 ZINC000000006736 181340713 /nfs/dbraw/zinc/34/07/13/181340713.db2.gz OAXNLMLMEYQSSS-LBPRGKRZSA-N 1 0 236.702 1.912 10 0 BDAERO [NH3+]C1CCC(CC(=O)NC[C@@H]2CCOC2)CC1 ZINC000061148892 181341235 /nfs/dbraw/zinc/34/12/35/181341235.db2.gz SAVFAAXQYGYCHW-CXQJBGSLSA-N 1 0 240.347 1.047 10 0 BDAERO CN1C(=O)CC[C@H]([NH3+])[C@@H]1c1ccsc1 ZINC000070621691 361651118 /nfs/dbraw/zinc/65/11/18/361651118.db2.gz BLSFMJCUAAJDOZ-WPRPVWTQSA-N 1 0 210.302 1.369 10 0 BDAERO Cc1ccn(Cc2csc(C[NH3+])n2)n1 ZINC000070630014 361683148 /nfs/dbraw/zinc/68/31/48/361683148.db2.gz CVSKCGAPCGJLPU-UHFFFAOYSA-N 1 0 208.290 1.155 10 0 BDAERO [NH3+]C1CCC(OCC2CCOCC2)CC1 ZINC000055143229 181342789 /nfs/dbraw/zinc/34/27/89/181342789.db2.gz AMGNBHZYEMWHTI-UHFFFAOYSA-N 1 0 213.321 1.700 10 0 BDAERO [NH3+]C1CCC(O)(c2cccc(F)c2)CC1 ZINC000084323631 181342906 /nfs/dbraw/zinc/34/29/06/181342906.db2.gz RDEMVLPONBVSLS-UHFFFAOYSA-N 1 0 209.264 1.915 10 0 BDAERO C[C@]([NH3+])(C(N)=O)c1ccc(F)cc1Cl ZINC000070652640 361699168 /nfs/dbraw/zinc/69/91/68/361699168.db2.gz BUXXVKPDEZLSJS-SECBINFHSA-N 1 0 216.643 1.138 10 0 BDAERO C[C@H]1CC(Cn2cc[nH+]c2N)C[C@H](C)O1 ZINC000724428981 541321329 /nfs/dbraw/zinc/32/13/29/541321329.db2.gz FIRCSYCTZJWCSQ-IUCAKERBSA-N 1 0 209.293 1.669 10 0 BDAERO CC1(C)CC[C@H](Cn2cc[nH+]c2N)OC1 ZINC000713626192 541302351 /nfs/dbraw/zinc/30/23/51/541302351.db2.gz YACWCPPMZHJGGF-SECBINFHSA-N 1 0 209.293 1.671 10 0 BDAERO c1cc2nccc([C@@H]3CCC[NH2+]C3)n2n1 ZINC000074209708 541313860 /nfs/dbraw/zinc/31/38/60/541313860.db2.gz XVNIXAXAJZZZPM-SECBINFHSA-N 1 0 202.261 1.196 10 0 BDAERO CO[C@@H]1CN(Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630355747 364077497 /nfs/dbraw/zinc/07/74/97/364077497.db2.gz KIZIYTYRXCUOOD-KBPBESRZSA-N 1 0 234.343 1.625 10 0 BDAERO CO[C@H]1CN(C(=O)CCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630358497 364079168 /nfs/dbraw/zinc/07/91/68/364079168.db2.gz IOVWFRMZCDWKSJ-YPMHNXCESA-N 1 0 242.363 1.387 10 0 BDAERO CO[C@@H]1CN(Cc2cccc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630361900 364081151 /nfs/dbraw/zinc/08/11/51/364081151.db2.gz NMFGUYXGGFECGB-LSDHHAIUSA-N 1 0 248.370 1.933 10 0 BDAERO CO[C@@H]1CN(Cc2ccc(C)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361486 364081235 /nfs/dbraw/zinc/08/12/35/364081235.db2.gz MHYGUMIHIJZWLZ-LSDHHAIUSA-N 1 0 248.370 1.933 10 0 BDAERO CO[C@H]1CN(C(=O)c2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630362725 364082325 /nfs/dbraw/zinc/08/23/25/364082325.db2.gz PSQOMQRISVZMFX-OCCSQVGLSA-N 1 0 248.326 1.265 10 0 BDAERO CO[C@@H]1CN(CCOCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364659 364083490 /nfs/dbraw/zinc/08/34/90/364083490.db2.gz FXQGTXFHVLXLCB-QWHCGFSZSA-N 1 0 244.379 1.097 10 0 BDAERO CC[C@H](C)CC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630373067 364089207 /nfs/dbraw/zinc/08/92/07/364089207.db2.gz IUQQXVBOOBZNQK-LOWVWBTDSA-N 1 0 242.363 1.387 10 0 BDAERO CCCOc1nccnc1NCCC[NH3+] ZINC000630505874 364192254 /nfs/dbraw/zinc/19/22/54/364192254.db2.gz GBGAQUJLVGFZGR-UHFFFAOYSA-N 1 0 210.281 1.026 10 0 BDAERO CCCOc1nccnc1N[C@@H](C)C[C@H](C)[NH3+] ZINC000630516374 364200782 /nfs/dbraw/zinc/20/07/82/364200782.db2.gz MMWOMNPYGILIKI-UWVGGRQHSA-N 1 0 238.335 1.225 10 0 BDAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncccc1F)C2 ZINC000630537523 364232926 /nfs/dbraw/zinc/23/29/26/364232926.db2.gz BXZCVPYNJUQLLH-BETUJISGSA-N 1 0 235.306 1.657 10 0 BDAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncc(F)cn1)C2 ZINC000630539141 364234508 /nfs/dbraw/zinc/23/45/08/364234508.db2.gz WSCHJAGDXWEQLI-TXEJJXNPSA-N 1 0 236.294 1.052 10 0 BDAERO Cc1cnc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)nc1C ZINC000630539876 364234956 /nfs/dbraw/zinc/23/49/56/364234956.db2.gz MLDCFSBHECBTJW-OKILXGFUSA-N 1 0 246.358 1.529 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1N=c1[nH]c2ccccc2[nH]1 ZINC000630546236 364241464 /nfs/dbraw/zinc/24/14/64/364241464.db2.gz OJKVDPTZHOVNNN-DTWKUNHWSA-N 1 0 216.288 1.147 10 0 BDAERO Cc1cc(N2CCCCC[C@@H]([NH3+])C2)nc(C)n1 ZINC000630549027 364242388 /nfs/dbraw/zinc/24/23/88/364242388.db2.gz HGWADNYNXPGWFM-GFCCVEGCSA-N 1 0 234.347 1.801 10 0 BDAERO COC[C@H](C)[NH2+]Cc1nccc(OC)c1OC ZINC000232193563 541346568 /nfs/dbraw/zinc/34/65/68/541346568.db2.gz DLCCJJKMQNHXIT-VIFPVBQESA-N 1 0 240.303 1.223 10 0 BDAERO Cc1nccc(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000630548657 364245078 /nfs/dbraw/zinc/24/50/78/364245078.db2.gz IHLKAAVXNYJOCP-LLVKDONJSA-N 1 0 220.320 1.493 10 0 BDAERO CC(C)c1nsc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630553095 364247878 /nfs/dbraw/zinc/24/78/78/364247878.db2.gz IDTQRLMHLGAWDZ-IUCAKERBSA-N 1 0 240.376 1.693 10 0 BDAERO CCc1csc(N2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000630555017 364252972 /nfs/dbraw/zinc/25/29/72/364252972.db2.gz YAWVBKDPOPYINE-IUCAKERBSA-N 1 0 225.361 1.737 10 0 BDAERO [NH3+]CC1(CN2Cc3ccccc3C2)CCOCC1 ZINC000052182107 181359388 /nfs/dbraw/zinc/35/93/88/181359388.db2.gz MFMSEKDQEBVILZ-UHFFFAOYSA-N 1 0 246.354 1.758 10 0 BDAERO [NH3+]CC1(C(=O)Nc2ccccc2F)CC1 ZINC000082640625 181359498 /nfs/dbraw/zinc/35/94/98/181359498.db2.gz VNEPAPUXTFXYGI-UHFFFAOYSA-N 1 0 208.236 1.503 10 0 BDAERO C[C@@H]1CN(c2ccncc2Cl)C[C@H]1C[NH3+] ZINC000630572300 364268150 /nfs/dbraw/zinc/26/81/50/364268150.db2.gz QXXGZNOFFAWRHK-RKDXNWHRSA-N 1 0 225.723 1.766 10 0 BDAERO Cc1cnc(C)c(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630535536 364227841 /nfs/dbraw/zinc/22/78/41/364227841.db2.gz VTLXTGGRVYWROO-GZMMTYOYSA-N 1 0 220.320 1.068 10 0 BDAERO CCc1ncnc(N[C@H]2CC[C@@H](C)[NH2+]C2)c1F ZINC000630535319 364229624 /nfs/dbraw/zinc/22/96/24/364229624.db2.gz TXFGLVGAVPKXBW-BDAKNGLRSA-N 1 0 238.310 1.731 10 0 BDAERO [NH3+]CC1(c2cc(F)cc(F)c2)CCOCC1 ZINC000049350933 181361831 /nfs/dbraw/zinc/36/18/31/181361831.db2.gz BKCJEPAZNYEECR-UHFFFAOYSA-N 1 0 227.254 1.972 10 0 BDAERO [NH3+]C1CCC(C(=O)NCc2ccncc2)CC1 ZINC000037623393 364339417 /nfs/dbraw/zinc/33/94/17/364339417.db2.gz MAPCFXHMJHKJDH-UHFFFAOYSA-N 1 0 233.315 1.215 10 0 BDAERO [NH3+]CC1(c2ccc(Br)nc2)CC1 ZINC000095761259 181361583 /nfs/dbraw/zinc/36/15/83/181361583.db2.gz DIKZNHHXEVXHOD-UHFFFAOYSA-N 1 0 227.105 1.834 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC2CCC2)C1 ZINC000170831258 364389742 /nfs/dbraw/zinc/38/97/42/364389742.db2.gz VBLONIPMJJUKDF-LLVKDONJSA-N 1 0 225.336 1.132 10 0 BDAERO [NH3+]CC1(c2nnc3cccnn32)CCCCC1 ZINC000083073951 181363484 /nfs/dbraw/zinc/36/34/84/181363484.db2.gz PLWGAIITQTYODU-UHFFFAOYSA-N 1 0 231.303 1.285 10 0 BDAERO CCCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170861429 364533620 /nfs/dbraw/zinc/53/36/20/364533620.db2.gz CTCDDIKGEFJBRI-LLVKDONJSA-N 1 0 227.352 1.522 10 0 BDAERO [NH3+]CCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000037506572 181366188 /nfs/dbraw/zinc/36/61/88/181366188.db2.gz JKTGMOOCBJTBNR-MNOVXSKESA-N 1 0 210.321 1.516 10 0 BDAERO [NH3+]CCC(=O)NCc1cccc2ccccc21 ZINC000052061938 181367481 /nfs/dbraw/zinc/36/74/81/181367481.db2.gz MTPOAIICPLCWRN-UHFFFAOYSA-N 1 0 228.295 1.805 10 0 BDAERO [NH3+]CCC(=O)Nc1ccc(Br)s1 ZINC000077425579 181368888 /nfs/dbraw/zinc/36/88/88/181368888.db2.gz QDTQSAUNXQSVJC-UHFFFAOYSA-N 1 0 249.133 1.798 10 0 BDAERO [NH3+]CCC1(c2ccc(Cl)s2)OCCO1 ZINC000049826043 181369684 /nfs/dbraw/zinc/36/96/84/181369684.db2.gz GIZDJAUSMAOQML-UHFFFAOYSA-N 1 0 233.720 1.950 10 0 BDAERO CCCS(=O)(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000081940764 541383399 /nfs/dbraw/zinc/38/33/99/541383399.db2.gz CFHSNURSOKBHJZ-BDAKNGLRSA-N 1 0 205.323 1.081 10 0 BDAERO [NH3+]CCCN(CCn1cccn1)c1ccccc1 ZINC000049313845 181379215 /nfs/dbraw/zinc/37/92/15/181379215.db2.gz IMTABEWREDNLJB-UHFFFAOYSA-N 1 0 244.342 1.739 10 0 BDAERO [NH3+]CCCCS(=O)(=O)c1cccs1 ZINC000020223547 181378118 /nfs/dbraw/zinc/37/81/18/181378118.db2.gz FUUNCOOBJDPWDG-UHFFFAOYSA-N 1 0 219.331 1.261 10 0 BDAERO [NH3+]CCCN(Cc1ncccn1)c1ccccc1 ZINC000054458582 181379332 /nfs/dbraw/zinc/37/93/32/181379332.db2.gz CVLABKYYPPOEOU-UHFFFAOYSA-N 1 0 242.326 1.832 10 0 BDAERO [NH3+]CCCN(Cc1cccnc1)c1ncccn1 ZINC000019813339 181379449 /nfs/dbraw/zinc/37/94/49/181379449.db2.gz BPYQENQWOZWIKG-UHFFFAOYSA-N 1 0 243.314 1.227 10 0 BDAERO [NH3+]CCCN(Cc1cccnc1)c1ccccn1 ZINC000019813347 181379573 /nfs/dbraw/zinc/37/95/73/181379573.db2.gz PFOBAUOPMDPHSE-UHFFFAOYSA-N 1 0 242.326 1.832 10 0 BDAERO C[C@@](O)(CC[NH3+])COCc1ccccc1 ZINC000669377113 541436575 /nfs/dbraw/zinc/43/65/75/541436575.db2.gz GUXGIRAHAPHBQE-GFCCVEGCSA-N 1 0 209.289 1.303 10 0 BDAERO [NH3+]CCCNc1ccc2c(c1)OCCCO2 ZINC000052945691 181383351 /nfs/dbraw/zinc/38/33/51/181383351.db2.gz RHGCFIMNEBHYCY-UHFFFAOYSA-N 1 0 222.288 1.609 10 0 BDAERO [NH3+]CCCS(=O)(=O)Cc1ccccc1F ZINC000058250671 181384323 /nfs/dbraw/zinc/38/43/23/181384323.db2.gz NWCMZQDKNMAJEU-UHFFFAOYSA-N 1 0 231.292 1.089 10 0 BDAERO [NH3+]CCCS(=O)(=O)Cc1ccccc1Cl ZINC000058250642 181384410 /nfs/dbraw/zinc/38/44/10/181384410.db2.gz YVDURRDTBXOHMR-UHFFFAOYSA-N 1 0 247.747 1.604 10 0 BDAERO [NH3+]CCCS(=O)(=O)Cc1cccc(Cl)c1 ZINC000058250653 181384653 /nfs/dbraw/zinc/38/46/53/181384653.db2.gz LZPKGWZZIOSPQK-UHFFFAOYSA-N 1 0 247.747 1.604 10 0 BDAERO [NH3+]CCC[S@@](=O)c1ccccc1Cl ZINC000040954696 181385543 /nfs/dbraw/zinc/38/55/43/181385543.db2.gz KSLAQFVXDVOIOC-ZDUSSCGKSA-N 1 0 217.721 1.796 10 0 BDAERO [NH3+]CCC[C@H]1CCCN1C(=O)c1cccnc1 ZINC000084518276 181385787 /nfs/dbraw/zinc/38/57/87/181385787.db2.gz RPUUKEVYWQWBRY-LBPRGKRZSA-N 1 0 233.315 1.425 10 0 BDAERO [NH3+]CCCc1c(Cl)nc2sccn12 ZINC000044281435 181385970 /nfs/dbraw/zinc/38/59/70/181385970.db2.gz KSEHFFYMWAUSKE-UHFFFAOYSA-N 1 0 215.709 1.941 10 0 BDAERO [NH3+]CCCc1nnc(CCc2ccc(O)cc2)o1 ZINC000019733383 181387993 /nfs/dbraw/zinc/38/79/93/181387993.db2.gz VXVUIUFIQCIDBD-UHFFFAOYSA-N 1 0 247.298 1.452 10 0 BDAERO [NH3+]CCCc1noc([C@H]2CCCCO2)n1 ZINC000054138916 181388013 /nfs/dbraw/zinc/38/80/13/181388013.db2.gz LIIBNYUYMRYGRL-MRVPVSSYSA-N 1 0 211.265 1.203 10 0 BDAERO [NH3+]CCCc1nnc(Cc2ccccc2)o1 ZINC000011585950 181388087 /nfs/dbraw/zinc/38/80/87/181388087.db2.gz YCKNNLBXHBJVNH-UHFFFAOYSA-N 1 0 217.272 1.552 10 0 BDAERO [NH3+]CCCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000050283699 181388725 /nfs/dbraw/zinc/38/87/25/181388725.db2.gz ARKYHAYHAKHCCR-UHFFFAOYSA-N 1 0 247.254 1.357 10 0 BDAERO [NH3+]CCN(Cc1ccncc1)C[C@H]1CCCO1 ZINC000076618315 181390557 /nfs/dbraw/zinc/39/05/57/181390557.db2.gz WAQXQYUHJFOFAW-CYBMUJFWSA-N 1 0 235.331 1.021 10 0 BDAERO [NH3+]CCNC(=O)Nc1ccc(F)cc1F ZINC000037895121 181394749 /nfs/dbraw/zinc/39/47/49/181394749.db2.gz KLFOPVRBYTXDKR-UHFFFAOYSA-N 1 0 215.203 1.045 10 0 BDAERO [NH3+]CCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000237883149 181395374 /nfs/dbraw/zinc/39/53/74/181395374.db2.gz UPMGCRAHIGMBBC-GHMZBOCLSA-N 1 0 238.718 1.518 10 0 BDAERO [NH3+]CCN[C@H](c1ccccc1)c1ccccn1 ZINC000037712365 181396225 /nfs/dbraw/zinc/39/62/25/181396225.db2.gz UMQLBXYJOBHYID-CQSZACIVSA-N 1 0 227.311 1.719 10 0 BDAERO [NH3+]CCNCc1ccc(C(F)(F)F)cc1 ZINC000037712330 181397609 /nfs/dbraw/zinc/39/76/09/181397609.db2.gz WGHJRKPZUJIZFD-UHFFFAOYSA-N 1 0 218.222 1.754 10 0 BDAERO [NH3+]CCNc1ccc(O)c2ccccc12 ZINC000045261336 181398525 /nfs/dbraw/zinc/39/85/25/181398525.db2.gz SXUIXYYGVXMDMD-UHFFFAOYSA-N 1 0 202.257 1.916 10 0 BDAERO [NH3+]CCc1c[nH]c2ccc3c(c12)CCCO3 ZINC000013527309 181411374 /nfs/dbraw/zinc/41/13/74/181411374.db2.gz CRBUBLCOTKWRPR-UHFFFAOYSA-N 1 0 216.284 1.994 10 0 BDAERO [NH3+]C[C@@H](O)CNc1cc(Cl)cc(Cl)c1 ZINC000033465308 181421431 /nfs/dbraw/zinc/42/14/31/181421431.db2.gz ZJKUKRNVZDDMAQ-SECBINFHSA-N 1 0 235.114 1.725 10 0 BDAERO [NH3+]C[C@@H](O)Cc1ccc(Br)cc1 ZINC000041252137 181422213 /nfs/dbraw/zinc/42/22/13/181422213.db2.gz GEABFJLFRHIOOD-VIFPVBQESA-N 1 0 230.105 1.311 10 0 BDAERO [NH3+]C[C@@H](OC[C@H]1CCOC1)c1ccccc1F ZINC000043048928 181423303 /nfs/dbraw/zinc/42/33/03/181423303.db2.gz KGQBXLXKAZXUTL-GXFFZTMASA-N 1 0 239.290 1.879 10 0 BDAERO Cc1cnc(C)c(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000379780956 365258027 /nfs/dbraw/zinc/25/80/27/365258027.db2.gz WZCPTAGEZJLBNZ-NOZJJQNGSA-N 1 0 234.347 1.515 10 0 BDAERO CC(C)[C@H](C)C(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000675057248 541463038 /nfs/dbraw/zinc/46/30/38/541463038.db2.gz ZHHPXWDGVOIEPF-SRVKXCTJSA-N 1 0 224.348 1.489 10 0 BDAERO CC(=O)c1cnc([C@@H]2CCC[NH2+]C2)s1 ZINC000258193643 541486752 /nfs/dbraw/zinc/48/67/52/541486752.db2.gz SRZRRLDULVJGNK-MRVPVSSYSA-N 1 0 210.302 1.813 10 0 BDAERO c1cn2c([nH+]1)NC[C@@H](c1ccncc1)C2 ZINC000232557257 541504755 /nfs/dbraw/zinc/50/47/55/541504755.db2.gz BQOVQUVIEFLMBE-SNVBAGLBSA-N 1 0 200.245 1.487 10 0 BDAERO CC[C@@H]1C[C@H](CC)n2nc(CC[NH3+])nc2N1 ZINC000233956761 541509468 /nfs/dbraw/zinc/50/94/68/541509468.db2.gz WTYPWCCDJHOQCH-BDAKNGLRSA-N 1 0 223.324 1.325 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@H](COC)C1CC1 ZINC000183436518 367022678 /nfs/dbraw/zinc/02/26/78/367022678.db2.gz QHNZUGJALHIVIB-LLVKDONJSA-N 1 0 238.335 1.121 10 0 BDAERO CC(C)OCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000184244961 367070199 /nfs/dbraw/zinc/07/01/99/367070199.db2.gz BQYRSWUBJBUIDS-GFCCVEGCSA-N 1 0 242.363 1.354 10 0 BDAERO CC[C@@H](CO)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000380348700 367189535 /nfs/dbraw/zinc/18/95/35/367189535.db2.gz URVWLDRKSUQXMR-NWDGAFQWSA-N 1 0 215.337 1.288 10 0 BDAERO CO[C@](C)(C[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000381108451 367351410 /nfs/dbraw/zinc/35/14/10/367351410.db2.gz ZJIYBKUPUROFOB-DGCLKSJQSA-N 1 0 229.364 1.798 10 0 BDAERO Cc1nccnc1N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380726178 367285837 /nfs/dbraw/zinc/28/58/37/367285837.db2.gz PKBGVWDYEDWESW-BXKDBHETSA-N 1 0 220.320 1.206 10 0 BDAERO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]1CO ZINC000382045198 367481766 /nfs/dbraw/zinc/48/17/66/367481766.db2.gz ZBEURRBJFPVGEE-XHVZSJERSA-N 1 0 223.291 1.727 10 0 BDAERO CC1CC(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000381601230 367435921 /nfs/dbraw/zinc/43/59/21/367435921.db2.gz NVTDXMOENWXIOB-HSOILSAZSA-N 1 0 210.321 1.148 10 0 BDAERO CCOc1cncc(N[C@H](C)[C@H](C)[NH3+])n1 ZINC000381706873 367449099 /nfs/dbraw/zinc/44/90/99/367449099.db2.gz HXNOCCDRJGKUNK-JGVFFNPUSA-N 1 0 210.281 1.023 10 0 BDAERO C[C@@H](Nc1ncnc2sccc21)[C@H](C)[NH3+] ZINC000381830944 367460958 /nfs/dbraw/zinc/46/09/58/367460958.db2.gz XKAJVIDHKDKGAQ-NKWVEPMBSA-N 1 0 222.317 1.839 10 0 BDAERO CCN1CCC[C@H]([NH2+]Cc2cnc(C)n2C)C1 ZINC000581499715 367527850 /nfs/dbraw/zinc/52/78/50/367527850.db2.gz PXTAWOKSHAFGFM-LBPRGKRZSA-N 1 0 236.363 1.302 10 0 BDAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000382851242 367563644 /nfs/dbraw/zinc/56/36/44/367563644.db2.gz JOKYEDLYPUCPCK-NWDGAFQWSA-N 1 0 247.379 1.255 10 0 BDAERO OCC[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000383024574 367586809 /nfs/dbraw/zinc/58/68/09/367586809.db2.gz HCKCQTFFQIPAFX-VIFPVBQESA-N 1 0 219.275 1.736 10 0 BDAERO CN(C)C1(C[NH2+]C[C@@H](O)C(C)(C)C)CCCC1 ZINC000383151344 367600827 /nfs/dbraw/zinc/60/08/27/367600827.db2.gz JTNXHMCVOFGTDY-GFCCVEGCSA-N 1 0 242.407 1.857 10 0 BDAERO [NH3+]CC[C@H](Nc1ncccc1F)C(F)F ZINC000383509347 367632280 /nfs/dbraw/zinc/63/22/80/367632280.db2.gz SAJOTDAXLJVPBG-ZETCQYMHSA-N 1 0 219.210 1.615 10 0 BDAERO C[C@H](c1ccccc1)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000383732695 367650185 /nfs/dbraw/zinc/65/01/85/367650185.db2.gz MJSNMPZKJROXBK-WXHSDQCUSA-N 1 0 220.316 1.012 10 0 BDAERO CCSCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384729518 367722444 /nfs/dbraw/zinc/72/24/44/367722444.db2.gz JEYNSJMXKRKBKY-UWVGGRQHSA-N 1 0 203.351 1.585 10 0 BDAERO CC(C)COCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384849746 367743305 /nfs/dbraw/zinc/74/33/05/367743305.db2.gz KRRMVLJXAGKOON-RYUDHWBXSA-N 1 0 215.337 1.504 10 0 BDAERO [NH3+]C[C@@H]1CCCN(CC(=O)c2cccs2)C1 ZINC000095072546 181429693 /nfs/dbraw/zinc/42/96/93/181429693.db2.gz FWRYYNFUMGDIIN-JTQLQIEISA-N 1 0 238.356 1.602 10 0 BDAERO C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000384641736 367710066 /nfs/dbraw/zinc/71/00/66/367710066.db2.gz XKSDHPMYQNDGCP-IJLUTSLNSA-N 1 0 215.337 1.288 10 0 BDAERO C[C@@H](CCCO)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000384637819 367710154 /nfs/dbraw/zinc/71/01/54/367710154.db2.gz WVYWFQKGPPAEFN-WDEREUQCSA-N 1 0 217.353 1.392 10 0 BDAERO C[C@H](CO)S[C@H]1CCC(C)(C)[C@H]1[NH3+] ZINC000252749175 367905900 /nfs/dbraw/zinc/90/59/00/367905900.db2.gz DWNBIXVWBFQVFR-VGMNWLOBSA-N 1 0 203.351 1.616 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000385954523 367890214 /nfs/dbraw/zinc/89/02/14/367890214.db2.gz DFIZEOPKEOZWIY-NXEZZACHSA-N 1 0 214.353 1.925 10 0 BDAERO C[C@H](NC[C@@H](O)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386532603 367986776 /nfs/dbraw/zinc/98/67/76/367986776.db2.gz AXHSHZFOCOEUEI-DJLDLDEBSA-N 1 0 240.269 1.030 10 0 BDAERO Cc1cnc(N2CC[C@@H]([C@H](C)[NH3+])C2)nc1C ZINC000386461405 367977970 /nfs/dbraw/zinc/97/79/70/367977970.db2.gz NISWKJJYMUJJOA-GXSJLCMTSA-N 1 0 220.320 1.267 10 0 BDAERO Cc1cnc(N2CC[C@@H]([NH3+])[C@H](C)C2)nc1C ZINC000386489174 367980809 /nfs/dbraw/zinc/98/08/09/367980809.db2.gz RWTKDNZZJAHBSW-MWLCHTKSSA-N 1 0 220.320 1.267 10 0 BDAERO C[NH2+]CCC1CCN(c2ncc(C)c(C)n2)CC1 ZINC000386687913 368009773 /nfs/dbraw/zinc/00/97/73/368009773.db2.gz RELBLRGFBBZQJF-UHFFFAOYSA-N 1 0 248.374 1.919 10 0 BDAERO C[C@]1(C(=O)N[C@@H]2CC23CCCCC3)CCC[NH2+]1 ZINC000386816169 368024297 /nfs/dbraw/zinc/02/42/97/368024297.db2.gz AEGPEJAPAVDIJF-DGCLKSJQSA-N 1 0 236.359 1.968 10 0 BDAERO CCN1CC[C@@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC000399300486 368091642 /nfs/dbraw/zinc/09/16/42/368091642.db2.gz JCIVDURMISXJRP-SECBINFHSA-N 1 0 241.360 1.336 10 0 BDAERO C[C@@H]1CCS[C@@](C)([C@H]2CCOC2)[NH2+]1 ZINC000252948985 368170128 /nfs/dbraw/zinc/17/01/28/368170128.db2.gz NXYDQYDSKCUPLU-UTLUCORTSA-N 1 0 201.335 1.854 10 0 BDAERO Cc1c[nH]c(C)c1CCC[NH+]1CCN(C)CC1 ZINC000038254949 368325450 /nfs/dbraw/zinc/32/54/50/368325450.db2.gz PHENIMFQMOFVIF-UHFFFAOYSA-N 1 0 235.375 1.812 10 0 BDAERO C[C@H](c1ccccc1)N1C[C@H]([NH3+])C2(CC2)C1=O ZINC000038589377 368327472 /nfs/dbraw/zinc/32/74/72/368327472.db2.gz PVVUAPNCOAUUJL-PWSUYJOCSA-N 1 0 230.311 1.697 10 0 BDAERO [NH3+]Cc1ccc(S(=O)(=O)c2ccccc2)cn1 ZINC000222445465 368361224 /nfs/dbraw/zinc/36/12/24/368361224.db2.gz ONSDITGVPIMAKM-UHFFFAOYSA-N 1 0 248.307 1.373 10 0 BDAERO Cc1ccc(Cl)cc1N1CC(=O)[O+]=N1 ZINC000048546049 368378191 /nfs/dbraw/zinc/37/81/91/368378191.db2.gz XPBUCQNICOBVFC-UHFFFAOYSA-O 1 0 211.628 1.619 10 0 BDAERO C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CSCCN2)C1 ZINC000253060527 368419857 /nfs/dbraw/zinc/41/98/57/368419857.db2.gz DEKYFLDQVZWQRU-MXWKQRLJSA-N 1 0 214.378 1.422 10 0 BDAERO CC[C@@H]1CN([C@H]2CC[NH2+]C2)CCS1 ZINC000253069671 368444679 /nfs/dbraw/zinc/44/46/79/368444679.db2.gz LUPMJWWWWRRCSD-VHSXEESVSA-N 1 0 200.351 1.176 10 0 BDAERO c1ccc(-c2ncnc3c2CC[NH2+]C3)nc1 ZINC000107247125 368472441 /nfs/dbraw/zinc/47/24/41/368472441.db2.gz FKYYQPUEFXDBBO-UHFFFAOYSA-N 1 0 212.256 1.184 10 0 BDAERO CC[NH2+]CCCNc1nc2ccccc2n1C ZINC000079047806 368464831 /nfs/dbraw/zinc/46/48/31/368464831.db2.gz OPLWDFCCMYHVOA-UHFFFAOYSA-N 1 0 232.331 1.985 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](COc2ccc(F)c(F)c2)O1 ZINC000052700584 181436133 /nfs/dbraw/zinc/43/61/33/181436133.db2.gz OVBSLOMNLAANCL-VHSXEESVSA-N 1 0 243.253 1.850 10 0 BDAERO COc1ccccc1C[C@@H]1[NH2+]CCC(=O)[C@H]1C ZINC000081199766 368581615 /nfs/dbraw/zinc/58/16/15/368581615.db2.gz CGAYNDWOMDNMJZ-JQWIXIFHSA-N 1 0 233.311 1.805 10 0 BDAERO COn1cc(C[NH+](C)C)c2ccccc21 ZINC000034622729 368822888 /nfs/dbraw/zinc/82/28/88/368822888.db2.gz XAXRSYHCCLNCFQ-UHFFFAOYSA-N 1 0 204.273 1.761 10 0 BDAERO Cn1ccnc1C(=O)[C@H]1CCCCC[NH2+]1 ZINC000226519104 368789957 /nfs/dbraw/zinc/78/99/57/368789957.db2.gz MRWSQEQJUILJAT-SECBINFHSA-N 1 0 207.277 1.135 10 0 BDAERO Cc1cc(NC(=O)[C@]2(C)CCC[NH2+]2)ccn1 ZINC000086114130 368874776 /nfs/dbraw/zinc/87/47/76/368874776.db2.gz ZFTUSRPQDHKNNH-LBPRGKRZSA-N 1 0 219.288 1.471 10 0 BDAERO COC[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000086698743 368883917 /nfs/dbraw/zinc/88/39/17/368883917.db2.gz PVRIKQMMAXZHTA-SRVKXCTJSA-N 1 0 242.363 1.291 10 0 BDAERO NC(=O)N[C@H](C[NH3+])c1ccccc1Cl ZINC000113415208 368891602 /nfs/dbraw/zinc/89/16/02/368891602.db2.gz TWJCGCAROYAYLU-MRVPVSSYSA-N 1 0 213.668 1.008 10 0 BDAERO CCN(Cc1ccccn1)C(=O)[C@@H](C)[NH2+]C ZINC000087331408 368891754 /nfs/dbraw/zinc/89/17/54/368891754.db2.gz XDKFZCMPWFQRCP-SNVBAGLBSA-N 1 0 221.304 1.038 10 0 BDAERO CC[C@@H]1CCC[C@]12C[NH2+]C[C@H]2C(=O)OC ZINC000253258592 368904135 /nfs/dbraw/zinc/90/41/35/368904135.db2.gz HDDVDKNOESXSAV-SCVCMEIPSA-N 1 0 211.305 1.575 10 0 BDAERO CCC[C@H](C)C[NH2+][C@H]1CCOC[C@H]1O ZINC000623766227 368995770 /nfs/dbraw/zinc/99/57/70/368995770.db2.gz CGAHHMRANTVIJS-GARJFASQSA-N 1 0 201.310 1.162 10 0 BDAERO CCC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623766225 368995860 /nfs/dbraw/zinc/99/58/60/368995860.db2.gz CGAHHMRANTVIJS-AXFHLTTASA-N 1 0 201.310 1.162 10 0 BDAERO CC(C)n1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000091540669 369013579 /nfs/dbraw/zinc/01/35/79/369013579.db2.gz WGIVIOFQYUTUJC-NXEZZACHSA-N 1 0 236.319 1.530 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NCC(C2CC2)C2CC2)C1 ZINC000091546080 369013951 /nfs/dbraw/zinc/01/39/51/369013951.db2.gz KGXXAKGOPJSJBN-RYUDHWBXSA-N 1 0 236.359 1.666 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623766505 369028798 /nfs/dbraw/zinc/02/87/98/369028798.db2.gz HMZADIVTFUGQGJ-NDBYEHHHSA-N 1 0 227.348 1.552 10 0 BDAERO O=C(Cc1cncs1)[C@H]1CCCCC[NH2+]1 ZINC000226521386 369043557 /nfs/dbraw/zinc/04/35/57/369043557.db2.gz QKIZKQUWQFRWQB-SNVBAGLBSA-N 1 0 224.329 1.787 10 0 BDAERO CN(CC(F)(F)F)[C@@H]1CCCC[NH2+]C1 ZINC000054135113 369058027 /nfs/dbraw/zinc/05/80/27/369058027.db2.gz RNFXRNOQLKMXCK-MRVPVSSYSA-N 1 0 210.243 1.623 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccon1 ZINC000616693261 369115639 /nfs/dbraw/zinc/11/56/39/369115639.db2.gz UOCQPYKIQKROHY-CQSZACIVSA-N 1 0 243.310 1.581 10 0 BDAERO C[C@H]1CN(Cc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000631842405 369366971 /nfs/dbraw/zinc/36/69/71/369366971.db2.gz ZYRYLCZVTVMORK-ONGXEEELSA-N 1 0 240.297 1.991 10 0 BDAERO CCC(O)(CC)C[NH+]1CCC(CC(N)=O)CC1 ZINC000165211888 203384218 /nfs/dbraw/zinc/38/42/18/203384218.db2.gz JNAKAOWDMCANAN-UHFFFAOYSA-N 1 0 242.363 1.125 10 0 BDAERO [NH3+]Cc1ccnc(N2CCCSCC2)c1 ZINC000042443223 181490067 /nfs/dbraw/zinc/49/00/67/181490067.db2.gz ZRQGYUNUFXDPOK-UHFFFAOYSA-N 1 0 223.345 1.484 10 0 BDAERO C[C@@H]1CN(C(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631002806 369939121 /nfs/dbraw/zinc/93/91/21/369939121.db2.gz ZJQWYXORZKAQOF-BDAKNGLRSA-N 1 0 213.325 1.021 10 0 BDAERO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1C[C@@H]1C ZINC000309801815 370262096 /nfs/dbraw/zinc/26/20/96/370262096.db2.gz RHKGKRYVPIJDKJ-GZMMTYOYSA-N 1 0 222.336 1.293 10 0 BDAERO C[C@H](CN1CCCCC1)[NH2+]C[C@H](O)C(C)(C)C ZINC000310203547 370321047 /nfs/dbraw/zinc/32/10/47/370321047.db2.gz CTWBGHGEHCGFHP-OLZOCXBDSA-N 1 0 242.407 1.857 10 0 BDAERO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]CCSC ZINC000310004659 370287509 /nfs/dbraw/zinc/28/75/09/370287509.db2.gz GCYUUQDXPBDXQT-NEPJUHHUSA-N 1 0 244.404 1.586 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@@H]2CCCN2C)C[C@@H]1CO ZINC000621373012 370311468 /nfs/dbraw/zinc/31/14/68/370311468.db2.gz AFTCFAWAMPRKOO-UPJWGTAASA-N 1 0 226.364 1.031 10 0 BDAERO O=C(CC[C@H]1CCC[NH2+]1)NCC[C@@H]1CC1(F)F ZINC000621670804 370421972 /nfs/dbraw/zinc/42/19/72/370421972.db2.gz ZGMPKSYLMJDELG-NXEZZACHSA-N 1 0 246.301 1.680 10 0 BDAERO CCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113575532 370429585 /nfs/dbraw/zinc/42/95/85/370429585.db2.gz HPKDZLCXAPVEOF-NWDGAFQWSA-N 1 0 239.363 1.665 10 0 BDAERO Cc1nc(C)c(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)o1 ZINC000311773821 370432877 /nfs/dbraw/zinc/43/28/77/370432877.db2.gz HSQBBCRYFIXDTL-VHSXEESVSA-N 1 0 237.303 1.035 10 0 BDAERO CCN1CCO[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000113266893 370396653 /nfs/dbraw/zinc/39/66/53/370396653.db2.gz DQVZKRCBQHQPLU-CQSZACIVSA-N 1 0 234.343 1.497 10 0 BDAERO C[N@@H+]1CC[C@@H](c2ccccc2CCO)C1 ZINC000215288303 370418535 /nfs/dbraw/zinc/41/85/35/370418535.db2.gz IQFMPZRNOPKPGX-GFCCVEGCSA-N 1 0 205.301 1.641 10 0 BDAERO C[C@H]1CN(Cc2cncc(Cl)c2)C[C@@H]1[NH3+] ZINC000621776039 370524705 /nfs/dbraw/zinc/52/47/05/370524705.db2.gz AKQDFPVLWONMLT-KWQFWETISA-N 1 0 225.723 1.514 10 0 BDAERO [NH3+][C@@H](CF)c1ccc2c(c1)OCCCO2 ZINC000020285854 181546967 /nfs/dbraw/zinc/54/69/67/181546967.db2.gz NHHQHHZYQRXPKM-VIFPVBQESA-N 1 0 211.236 1.817 10 0 BDAERO [NH3+][C@@H](CO)c1ccc(F)cc1Br ZINC000072198737 181549612 /nfs/dbraw/zinc/54/96/12/181549612.db2.gz LKWDLMLGGNIHLA-QMMMGPOBSA-N 1 0 234.068 1.580 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3nccn3C2)C1 ZINC000390495341 371208203 /nfs/dbraw/zinc/20/82/03/371208203.db2.gz RPEBYVOPWUULRM-GRYCIOLGSA-N 1 0 219.332 1.976 10 0 BDAERO COC[C@@H](C)[NH2+]CCC(=O)N1CCC[C@H]1C ZINC000390586099 371217262 /nfs/dbraw/zinc/21/72/62/371217262.db2.gz YFDMWJJXBNHKRT-GHMZBOCLSA-N 1 0 228.336 1.012 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000237942793 181584260 /nfs/dbraw/zinc/58/42/60/181584260.db2.gz ZVXRPIKLFJEAAT-YVECIDJPSA-N 1 0 236.359 1.762 10 0 BDAERO Cc1csc([C@H](C)[NH2+]C2CC(CO)C2)n1 ZINC000624017116 371251680 /nfs/dbraw/zinc/25/16/80/371251680.db2.gz PRVPPYOTPGKAPG-IDKOKCKLSA-N 1 0 226.345 1.873 10 0 BDAERO [NH3+][C@H](CCO)C12CC3CC(CC(C3)C1)C2 ZINC000082917715 181614470 /nfs/dbraw/zinc/61/44/70/181614470.db2.gz UKLLGFBFAZHYMR-CRIDGIJHSA-N 1 0 209.333 1.913 10 0 BDAERO [NH3+][C@H](CO)c1ccc2c(c1)OC(F)(F)O2 ZINC000072198316 181620568 /nfs/dbraw/zinc/62/05/68/181620568.db2.gz XRHHQBSWMJPLHM-ZCFIWIBFSA-N 1 0 217.171 1.000 10 0 BDAERO [NH3+][C@H](Cc1ccccc1F)c1cncnc1 ZINC000052887342 181627646 /nfs/dbraw/zinc/62/76/46/181627646.db2.gz PNSFHPVJNSQOBZ-GFCCVEGCSA-N 1 0 217.247 1.858 10 0 BDAERO [NH3+][C@H]1CCC2(C[C@H]1Oc1ccccc1)OCCO2 ZINC000023068898 181639829 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371423991 /nfs/dbraw/zinc/42/39/91/371423991.db2.gz XPJORRGNHFMTHJ-ZDEQEGDKSA-N 1 0 229.364 1.941 10 0 BDAERO C[C@H](CC1CCCC1)[NH2+][C@H]1CCOC[C@H]1O ZINC000624236600 371424061 /nfs/dbraw/zinc/42/40/61/371424061.db2.gz GQMLZTXREDFEHM-KGYLQXTDSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C[C@@H]1C ZINC000624237679 371426282 /nfs/dbraw/zinc/42/62/82/371426282.db2.gz BHURMPYLADJKTC-SJHCENCUSA-N 1 0 227.348 1.551 10 0 BDAERO CCC[C@H](CC)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624238100 371426421 /nfs/dbraw/zinc/42/64/21/371426421.db2.gz KKGMHHNPMJBWAK-AXFHLTTASA-N 1 0 201.310 1.305 10 0 BDAERO CCOC1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624239029 371427904 /nfs/dbraw/zinc/42/79/04/371427904.db2.gz BOUJFDTWMOFJGM-TYUFSLCMSA-N 1 0 243.347 1.074 10 0 BDAERO Nc1cnccc1S[C@@H]1CCC[NH2+]C1 ZINC000043501741 181770766 /nfs/dbraw/zinc/77/07/66/181770766.db2.gz UTPNGRASTGXHQH-MRVPVSSYSA-N 1 0 209.318 1.508 10 0 BDAERO C[C@@](F)(C[C@H]1COCC[NH2+]1)C1CCC1 ZINC000161702343 371554368 /nfs/dbraw/zinc/55/43/68/371554368.db2.gz SWXVLRREHGOOQX-WDEREUQCSA-N 1 0 201.285 1.893 10 0 BDAERO C[C@@H](C[NH3+])N1CC(C)(C)OC(C)(C)C1 ZINC000226413483 371664562 /nfs/dbraw/zinc/66/45/62/371664562.db2.gz MEAITSZDVAROOE-VIFPVBQESA-N 1 0 200.326 1.223 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Cc1cncs1 ZINC000226485037 371676460 /nfs/dbraw/zinc/67/64/60/371676460.db2.gz HTERLZSIQSVWOF-DTWKUNHWSA-N 1 0 210.302 1.382 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Cc1cncs1 ZINC000226485042 371676659 /nfs/dbraw/zinc/67/66/59/371676659.db2.gz HTERLZSIQSVWOF-IUCAKERBSA-N 1 0 210.302 1.382 10 0 BDAERO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)OC(C)(C)C ZINC000215739856 371620892 /nfs/dbraw/zinc/62/08/92/371620892.db2.gz XFCCEZVWXSUNTA-BDAKNGLRSA-N 1 0 214.309 1.652 10 0 BDAERO C[C@H](CO)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230030930 371637863 /nfs/dbraw/zinc/63/78/63/371637863.db2.gz RTSBJNNOTCUGRS-ZDUSSCGKSA-N 1 0 236.359 1.466 10 0 BDAERO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Cc1ccccc1 ZINC000226682835 371722954 /nfs/dbraw/zinc/72/29/54/371722954.db2.gz BMLSTCQQEMCJRC-JQWIXIFHSA-N 1 0 203.285 1.796 10 0 BDAERO O=C(C[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000226583020 371702330 /nfs/dbraw/zinc/70/23/30/371702330.db2.gz XEDXVISKEPRKMN-LLVKDONJSA-N 1 0 211.305 1.514 10 0 BDAERO C[C@H]1SCC[N@H+](CC(N)=S)[C@H]1C ZINC000132409595 371815475 /nfs/dbraw/zinc/81/54/75/371815475.db2.gz AEOTXLCBLJRTSE-NKWVEPMBSA-N 1 0 204.364 1.098 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])[C@@H]1CCCCS1(=O)=O ZINC000132868744 371939783 /nfs/dbraw/zinc/93/97/83/371939783.db2.gz BWAODFLKHUWTFX-LPEHRKFASA-N 1 0 219.350 1.327 10 0 BDAERO CSc1ccc(N2C[C@@H]([NH3+])C2=O)cc1 ZINC000227619333 371906323 /nfs/dbraw/zinc/90/63/23/371906323.db2.gz KEXIQDOOOMPGKX-SECBINFHSA-N 1 0 208.286 1.082 10 0 BDAERO Cc1nnc(N2C[C@H]([NH3+])C[C@H](C)C2)s1 ZINC000227691586 371921500 /nfs/dbraw/zinc/92/15/00/371921500.db2.gz BOZIMKROQZAGKS-POYBYMJQSA-N 1 0 212.322 1.020 10 0 BDAERO Nc1c(Cl)cccc1N1CC[NH2+]CC1 ZINC000163074821 371923771 /nfs/dbraw/zinc/92/37/71/371923771.db2.gz JHGGIBRTGXHULQ-UHFFFAOYSA-N 1 0 211.696 1.332 10 0 BDAERO C[NH2+][C@@H](c1nccn1C)[C@@H]1CCSC1 ZINC000163112201 371929802 /nfs/dbraw/zinc/92/98/02/371929802.db2.gz BKWPFOVXPXURSW-RKDXNWHRSA-N 1 0 211.334 1.434 10 0 BDAERO CC[C@@H]([NH3+])[C@H](CO)OCc1ccccc1 ZINC000163287760 371966193 /nfs/dbraw/zinc/96/61/93/371966193.db2.gz DOWGDHGPKYVFEW-NEPJUHHUSA-N 1 0 209.289 1.301 10 0 BDAERO CN[C@@H](C(N)=O)c1sccc1Br ZINC000228007169 371972330 /nfs/dbraw/zinc/97/23/30/371972330.db2.gz IICUUWOCSOXOCO-RXMQYKEDSA-N 1 0 249.133 1.256 10 0 BDAERO CC[C@@H]1CN([C@@H]2CCC[NH2+]C2)CCS1 ZINC000133028172 371973937 /nfs/dbraw/zinc/97/39/37/371973937.db2.gz FDOWAJGTBFFAIM-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO Cc1nsc(N2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000228084432 371988086 /nfs/dbraw/zinc/98/80/86/371988086.db2.gz TWUSUOOPCYXVEB-HTRCEHHLSA-N 1 0 212.322 1.020 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1cccc(Br)c1F ZINC000217906650 372026058 /nfs/dbraw/zinc/02/60/58/372026058.db2.gz ZWWFTQCXAJHRGA-MLUIRONXSA-N 1 0 248.095 1.969 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1cc(F)ccc1Br ZINC000217907533 372026616 /nfs/dbraw/zinc/02/66/16/372026616.db2.gz SNCAMALNQBADQZ-ANLVUFKYSA-N 1 0 248.095 1.969 10 0 BDAERO COC[C@H](C)[C@@H](CO)[NH2+]Cc1ccccc1 ZINC000163676533 372030781 /nfs/dbraw/zinc/03/07/81/372030781.db2.gz HHZSHWZLFRZAGX-WCQYABFASA-N 1 0 223.316 1.420 10 0 BDAERO CC(C)[C@H]([NH3+])CN1C[C@H](C)OC[C@H]1C ZINC000306549283 372033977 /nfs/dbraw/zinc/03/39/77/372033977.db2.gz DHVNHEYXIXLLNA-OUAUKWLOSA-N 1 0 200.326 1.079 10 0 BDAERO C[C@H]1CC[NH2+][C@@]2(COC(C)(C)C2)S1 ZINC000306660031 372052582 /nfs/dbraw/zinc/05/25/82/372052582.db2.gz PTQSECRTJXMASS-WCBMZHEXSA-N 1 0 201.335 1.997 10 0 BDAERO C[N@H+](C[C@@H]1COCC[C@@H]1O)C(C)(C)C ZINC000306668611 372053181 /nfs/dbraw/zinc/05/31/81/372053181.db2.gz FWWNOFVYANBUGP-ZJUUUORDSA-N 1 0 201.310 1.114 10 0 BDAERO C[NH2+]C1(CNCc2ccccc2)CCC1 ZINC000307271661 372106468 /nfs/dbraw/zinc/10/64/68/372106468.db2.gz RURFTXYEDCCFDP-UHFFFAOYSA-N 1 0 204.317 1.918 10 0 BDAERO CCCCN(Cc1ccncc1)C(=O)C[NH3+] ZINC000076610803 168822681 /nfs/dbraw/zinc/82/26/81/168822681.db2.gz DMPRSKHSVWKNRZ-UHFFFAOYSA-N 1 0 221.304 1.169 10 0 BDAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1c(Br)cnn1C ZINC000229142883 372122220 /nfs/dbraw/zinc/12/22/20/372122220.db2.gz DUZIRLJROBUEIP-ATRFCDNQSA-N 1 0 244.136 1.838 10 0 BDAERO CN1CC[C@@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC000228720476 372071823 /nfs/dbraw/zinc/07/18/23/372071823.db2.gz NIAXQJSLQHVNMP-RXLGXGPVSA-N 1 0 209.120 1.599 10 0 BDAERO CSc1ccccc1N1CC[C@H]([NH3+])C1 ZINC000228778649 372079111 /nfs/dbraw/zinc/07/91/11/372079111.db2.gz DIDBQSADLMNUSQ-VIFPVBQESA-N 1 0 208.330 1.946 10 0 BDAERO C[C@H]([C@H](C)[NH3+])N1CCC=C(Br)C1 ZINC000404334507 372081959 /nfs/dbraw/zinc/08/19/59/372081959.db2.gz BKFZZPZVPDEGDX-JGVFFNPUSA-N 1 0 233.153 1.707 10 0 BDAERO C[C@H]1C[N@H+](C)CC[C@@H]1n1cncc1C=O ZINC000229677385 372180970 /nfs/dbraw/zinc/18/09/70/372180970.db2.gz MKSNORZPQATAPY-ONGXEEELSA-N 1 0 207.277 1.208 10 0 BDAERO C[C@@H]1CCN[C@@]2(CC[NH2+]C[C@@H]2C)S1 ZINC000229565634 372166254 /nfs/dbraw/zinc/16/62/54/372166254.db2.gz OVFUFGNETQTYSZ-AEJSXWLSSA-N 1 0 200.351 1.427 10 0 BDAERO C(NC1=[NH+]CCS1)[C@@H]1CSCCS1 ZINC000229625429 372173763 /nfs/dbraw/zinc/17/37/63/372173763.db2.gz KOUCIWKCAVIYQH-SSDOTTSWSA-N 1 0 234.415 1.527 10 0 BDAERO O[C@@H](C[C@H]1CCCC[NH2+]C1)C(F)(F)F ZINC000134218080 372182809 /nfs/dbraw/zinc/18/28/09/372182809.db2.gz GVLFOVKRIJONCO-SFYZADRCSA-N 1 0 211.227 1.689 10 0 BDAERO C[N@@H+]1CCSC[C@@H]1[C@@H](O)c1ccc[nH]1 ZINC000307474158 372123062 /nfs/dbraw/zinc/12/30/62/372123062.db2.gz WFQDGYOIJSTUDV-ZJUUUORDSA-N 1 0 212.318 1.095 10 0 BDAERO CON[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000134231468 372184434 /nfs/dbraw/zinc/18/44/34/372184434.db2.gz PTVVNAXMZVPBBC-ZDUSSCGKSA-N 1 0 220.316 1.802 10 0 BDAERO CC(C)C[C@H](C)[NH2+][C@@H]1COCC[C@H]1O ZINC000631749579 372541025 /nfs/dbraw/zinc/54/10/25/372541025.db2.gz OUBPSXBMQPJHEV-HBNTYKKESA-N 1 0 201.310 1.160 10 0 BDAERO CCc1nc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631839982 372636634 /nfs/dbraw/zinc/63/66/34/372636634.db2.gz NQLVHZRQJKEQLO-UWVGGRQHSA-N 1 0 239.388 1.732 10 0 BDAERO C[C@@H]1CN(Cc2nccn2C(F)F)C[C@@H]1C[NH3+] ZINC000631839924 372636789 /nfs/dbraw/zinc/63/67/89/372636789.db2.gz MNAMSWZTLWDOTN-BDAKNGLRSA-N 1 0 244.289 1.305 10 0 BDAERO CC(C)c1nc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631839417 372637086 /nfs/dbraw/zinc/63/70/86/372637086.db2.gz GCBVNUFOYVXLDC-ZJUUUORDSA-N 1 0 238.335 1.220 10 0 BDAERO C[C@@H]1CN(Cc2cccc(F)c2F)C[C@@H]1C[NH3+] ZINC000631841813 372639121 /nfs/dbraw/zinc/63/91/21/372639121.db2.gz QBOHKZUVOCQQDX-KOLCDFICSA-N 1 0 240.297 1.991 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NC1CCCC1 ZINC000054290475 182028358 /nfs/dbraw/zinc/02/83/58/182028358.db2.gz MJLVXMWBLUECDS-SNVBAGLBSA-N 1 0 210.321 1.435 10 0 BDAERO CO/N=C(/CC1CC[NH2+]CC1)c1ccccn1 ZINC000141976937 373083337 /nfs/dbraw/zinc/08/33/37/373083337.db2.gz ZXHXAUBHQZSHCN-SSZFMOIBSA-N 1 0 233.315 1.822 10 0 BDAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1ccc(N)cc1 ZINC000142062333 373098952 /nfs/dbraw/zinc/09/89/52/373098952.db2.gz WWAJNSKHOPJUIB-GFCCVEGCSA-N 1 0 249.314 1.372 10 0 BDAERO C[C@@H]1CCC[C@H](C[NH3+])N1CC(F)(F)F ZINC000069723269 373638120 /nfs/dbraw/zinc/63/81/20/373638120.db2.gz HBCYLSFWMAIDPD-HTQZYQBOSA-N 1 0 210.243 1.750 10 0 BDAERO Cc1cc([C@H]([NH3+])CS(C)(=O)=O)c(C)s1 ZINC000069693476 373598806 /nfs/dbraw/zinc/59/88/06/373598806.db2.gz OXQLZXKSHBZDHS-SECBINFHSA-N 1 0 233.358 1.409 10 0 BDAERO O=C(NCCC1=CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000062112811 182153054 /nfs/dbraw/zinc/15/30/54/182153054.db2.gz ZGNSNSRBMIODSZ-GFCCVEGCSA-N 1 0 222.332 1.603 10 0 BDAERO O[C@@H](c1ccc(Br)o1)[C@@H]1CCC[NH2+]1 ZINC000069843140 373874612 /nfs/dbraw/zinc/87/46/12/373874612.db2.gz IBRIKVCVKVHCAY-IMTBSYHQSA-N 1 0 246.104 1.828 10 0 BDAERO CC(C)[NH2+][C@]1(CN)CCOC(C)(C)C1 ZINC000069892507 373970967 /nfs/dbraw/zinc/97/09/67/373970967.db2.gz AECYPMKJCMHDMX-LLVKDONJSA-N 1 0 200.326 1.271 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2CCCS2)n1 ZINC000070005019 374110239 /nfs/dbraw/zinc/11/02/39/374110239.db2.gz HSGVFEZHCUTYGN-RQJHMYQMSA-N 1 0 213.306 1.700 10 0 BDAERO C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1[NH3+] ZINC000070145629 374123415 /nfs/dbraw/zinc/12/34/15/374123415.db2.gz VNXJAKZWMIZWHU-DGCLKSJQSA-N 1 0 232.327 1.425 10 0 BDAERO O=C(NCc1ccoc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171904572 182266627 /nfs/dbraw/zinc/26/66/27/182266627.db2.gz FKNCRBFGMLVPDX-LBPRGKRZSA-N 1 0 249.314 1.269 10 0 BDAERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]12)c1ccc(O)cc1 ZINC000049570580 182301407 /nfs/dbraw/zinc/30/14/07/182301407.db2.gz OPBXZVCBGUBXLK-CHWSQXEVSA-N 1 0 246.310 1.359 10 0 BDAERO O=C(N[C@H]1CCC[NH2+]C1)c1c[nH]c2ccccc12 ZINC000045948687 182329793 /nfs/dbraw/zinc/32/97/93/182329793.db2.gz KCGKCHIMXQNRBA-JTQLQIEISA-N 1 0 243.310 1.650 10 0 BDAERO O=C(N[C@H]1[C@@H]2C[C@H]1[NH2+]C2)OCc1ccccc1 ZINC000091304720 182345432 /nfs/dbraw/zinc/34/54/32/182345432.db2.gz FPINETZHLHKVQZ-UTUOFQBUSA-N 1 0 232.283 1.273 10 0 BDAERO O=C1CCN(Cc2ccccc2)C2(C[NH2+]C2)C1 ZINC000082347048 182741607 /nfs/dbraw/zinc/74/16/07/182741607.db2.gz ZVGKKBNFRGXZME-UHFFFAOYSA-N 1 0 230.311 1.194 10 0 BDAERO O=[S@@](Cc1cncs1)C[C@@H]1CCC[NH2+]1 ZINC000095073581 182963248 /nfs/dbraw/zinc/96/32/48/182963248.db2.gz MPAZOMOQANUQSN-RTHLEPHNSA-N 1 0 230.358 1.144 10 0 BDAERO O=[S@@](Cc1ccncc1)C[C@@H]1CCC[NH2+]1 ZINC000095073577 182963587 /nfs/dbraw/zinc/96/35/87/182963587.db2.gz DXVNHLGEDGPZEB-XHDPSFHLSA-N 1 0 224.329 1.082 10 0 BDAERO O=c1ccccn1CC[NH2+]C1CCCCC1 ZINC000053500523 183002401 /nfs/dbraw/zinc/00/24/01/183002401.db2.gz UHDYMVYAQDOAJO-UHFFFAOYSA-N 1 0 220.316 1.771 10 0 BDAERO O[C@H](C[NH+]1CCC(O)CC1)c1cccs1 ZINC000070459845 183028199 /nfs/dbraw/zinc/02/81/99/183028199.db2.gz RHKJMJCQFXOSIA-SNVBAGLBSA-N 1 0 227.329 1.238 10 0 BDAERO O[C@@H](C[NH+]1CCC(O)CC1)c1cccs1 ZINC000070459846 183028383 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/nfs/dbraw/zinc/18/83/63/183188363.db2.gz KIYLSNMNXJTGDP-QWHCGFSZSA-N 1 0 220.316 1.865 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000037871598 183190416 /nfs/dbraw/zinc/19/04/16/183190416.db2.gz JJMDFHJZSAMOSW-CHWSQXEVSA-N 1 0 220.316 1.517 10 0 BDAERO O[C@@]1(c2ccsc2)C[NH+]2CCC1CC2 ZINC000013740299 183217483 /nfs/dbraw/zinc/21/74/83/183217483.db2.gz BPKMMXKNCOJMOQ-NSHDSACASA-N 1 0 209.314 1.661 10 0 BDAERO O[C@@]1(c2cccc3[nH]ccc32)CCC[NH2+]C1 ZINC000039334257 183218184 /nfs/dbraw/zinc/21/81/84/183218184.db2.gz NQLNPSSRYIQAGF-ZDUSSCGKSA-N 1 0 216.284 1.739 10 0 BDAERO O[C@H](CCN1CC[NH2+]CC1)c1ccccc1 ZINC000041164902 183218985 /nfs/dbraw/zinc/21/89/85/183218985.db2.gz OWKCWIIJUIYVJH-CYBMUJFWSA-N 1 0 220.316 1.015 10 0 BDAERO O[C@H]1CCCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000037883765 183231989 /nfs/dbraw/zinc/23/19/89/183231989.db2.gz MHMRDZITGNFCGM-OLZOCXBDSA-N 1 0 220.316 1.865 10 0 BDAERO O[C@H](C[NH+]1CCCCC1)c1cccnc1 ZINC000062355505 183220020 /nfs/dbraw/zinc/22/00/20/183220020.db2.gz UEQWUPHBWXXMLK-GFCCVEGCSA-N 1 0 206.289 1.601 10 0 BDAERO O[C@H](CCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000041214211 183220249 /nfs/dbraw/zinc/22/02/49/183220249.db2.gz QZIGHWOKYXPGMR-QWHCGFSZSA-N 1 0 205.301 1.732 10 0 BDAERO O[C@@H](Cn1cccc1)C[NH+]1CCCCC1 ZINC000073167487 183220706 /nfs/dbraw/zinc/22/07/06/183220706.db2.gz ODFWNNLHQLJZQD-GFCCVEGCSA-N 1 0 208.305 1.335 10 0 BDAERO O[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000358985171 183221627 /nfs/dbraw/zinc/22/16/27/183221627.db2.gz UXHJWSDNCDJBQJ-XLPZGREQSA-N 1 0 209.211 1.394 10 0 BDAERO O[C@H](C[NH2+]C1CC1)c1ccc(F)cc1F ZINC000037871903 183222496 /nfs/dbraw/zinc/22/24/96/183222496.db2.gz LTVYFUBGSFDLSF-LLVKDONJSA-N 1 0 213.227 1.750 10 0 BDAERO O[C@H](C[NH2+]C1CCOCC1)COC1CCCC1 ZINC000037893014 183223333 /nfs/dbraw/zinc/22/33/33/183223333.db2.gz MXFNRTMPJNLFCZ-GFCCVEGCSA-N 1 0 243.347 1.075 10 0 BDAERO O[C@H](C[NH2+]C[C@H]1CCOC1)c1ccccc1F ZINC000038094547 183223899 /nfs/dbraw/zinc/22/38/99/183223899.db2.gz LAGOGTRNYKMPPK-ZWNOBZJWSA-N 1 0 239.290 1.485 10 0 BDAERO O[C@H](c1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000041248054 183228948 /nfs/dbraw/zinc/22/89/48/183228948.db2.gz OEUZDRCJDKHASP-PELKAZGASA-N 1 0 227.254 1.998 10 0 BDAERO O[C@H](c1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000041303090 183229484 /nfs/dbraw/zinc/22/94/84/183229484.db2.gz IIWLEJZOOPNOAZ-BXUZGUMPSA-N 1 0 249.310 1.633 10 0 BDAERO O[C@H](c1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]1 ZINC000036159558 183229633 /nfs/dbraw/zinc/22/96/33/183229633.db2.gz MDSDHGXQZKSJTA-ZIAGYGMSSA-N 1 0 217.312 1.961 10 0 BDAERO O[C@H]1CC2=C(CC([NH+]3CCCCC3)C2)C[C@@H]1O ZINC000169343098 183230420 /nfs/dbraw/zinc/23/04/20/183230420.db2.gz KVHNMYBEHDHTDS-KBPBESRZSA-N 1 0 237.343 1.447 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000037883766 183231747 /nfs/dbraw/zinc/23/17/47/183231747.db2.gz MHMRDZITGNFCGM-STQMWFEESA-N 1 0 220.316 1.865 10 0 BDAERO O[C@@]1(Cc2ccccc2F)CCC[NH2+]C1 ZINC000071511536 183217403 /nfs/dbraw/zinc/21/74/03/183217403.db2.gz RMRUZCPBAAULAF-GFCCVEGCSA-N 1 0 209.264 1.483 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cncs1 ZINC000084223501 183238487 /nfs/dbraw/zinc/23/84/87/183238487.db2.gz QMPFRFYHJQMRCJ-WPRPVWTQSA-N 1 0 212.318 1.394 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]C1CCN(C2CC2)CC1 ZINC000310216263 183238722 /nfs/dbraw/zinc/23/87/22/183238722.db2.gz FENDYYISTSSVGP-FZMZJTMJSA-N 1 0 238.375 1.364 10 0 BDAERO O[C@H]1COC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000037883622 183246761 /nfs/dbraw/zinc/24/67/61/183246761.db2.gz TVMWDSIIXYIFDN-QWRGUYRKSA-N 1 0 227.691 1.189 10 0 BDAERO O[C@H]1COC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000037741783 183246934 /nfs/dbraw/zinc/24/69/34/183246934.db2.gz PCJDOPPGZQCGBV-RYUDHWBXSA-N 1 0 213.321 1.306 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000037871596 183233194 /nfs/dbraw/zinc/23/31/94/183233194.db2.gz JJMDFHJZSAMOSW-OLZOCXBDSA-N 1 0 220.316 1.517 10 0 BDAERO CCC[NH+](CCC)Cc1cnn(C)c1N ZINC000058083177 169151417 /nfs/dbraw/zinc/15/14/17/169151417.db2.gz LRELBMKLZASIRM-UHFFFAOYSA-N 1 0 210.325 1.624 10 0 BDAERO Oc1ccc2[nH]c([C@@H]3CCC[NH2+]C3)nc2c1 ZINC000076006039 183278856 /nfs/dbraw/zinc/27/88/56/183278856.db2.gz SWNWQDKFZIDPMH-MRVPVSSYSA-N 1 0 217.272 1.736 10 0 BDAERO CCC[NH+](CCC)[C@H](CN)[C@H]1CCOC1 ZINC000022222540 169152138 /nfs/dbraw/zinc/15/21/38/169152138.db2.gz MAVMBZITIPSSLZ-NWDGAFQWSA-N 1 0 214.353 1.472 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H](O)C1CC1 ZINC000071299813 183281424 /nfs/dbraw/zinc/28/14/24/183281424.db2.gz MVLMYTBBFGUZKJ-RYUDHWBXSA-N 1 0 235.283 1.186 10 0 BDAERO Oc1cccc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)c1 ZINC000096879751 183287763 /nfs/dbraw/zinc/28/77/63/183287763.db2.gz UEHJKLTVRRMBPV-JTQLQIEISA-N 1 0 245.282 1.737 10 0 BDAERO CCCN(CCC[NH3+])C(=O)c1cccc(C)n1 ZINC000036731246 169157000 /nfs/dbraw/zinc/15/70/00/169157000.db2.gz SMHGPKNLPIBMPD-UHFFFAOYSA-N 1 0 235.331 1.591 10 0 BDAERO Oc1cccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000037165476 183291959 /nfs/dbraw/zinc/29/19/59/183291959.db2.gz DMRCAWBVHGWYHQ-WCQYABFASA-N 1 0 221.300 1.785 10 0 BDAERO Oc1ccccc1CC[C@@H]1[NH2+]CCS1 ZINC000034061790 183301714 /nfs/dbraw/zinc/30/17/14/183301714.db2.gz MSNDOUSIWPUHIC-LLVKDONJSA-N 1 0 209.314 1.987 10 0 BDAERO Oc1cccnc1OCC[C@@H]1CCC[NH2+]C1 ZINC000095073853 183304957 /nfs/dbraw/zinc/30/49/57/183304957.db2.gz LSTPDAYWANNQHH-JTQLQIEISA-N 1 0 222.288 1.556 10 0 BDAERO CCCN(Cc1nccn1C)[C@H]1CCC[NH2+]C1 ZINC000104335127 169182049 /nfs/dbraw/zinc/18/20/49/169182049.db2.gz ADFNQRZAYJCREN-LBPRGKRZSA-N 1 0 236.363 1.384 10 0 BDAERO CC(C)(C)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000053737792 166630369 /nfs/dbraw/zinc/63/03/69/166630369.db2.gz WCTMRKWDADNFCD-UHFFFAOYSA-N 1 0 207.339 1.198 10 0 BDAERO CCC[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105866920 169192477 /nfs/dbraw/zinc/19/24/77/169192477.db2.gz WOFLHDUPSRRDBO-UHFFFAOYSA-N 1 0 238.335 1.296 10 0 BDAERO c1cc(-c2ccc(C[NH2+][C@@H]3CCOC3)cc2)n[nH]1 ZINC000109431325 183328984 /nfs/dbraw/zinc/32/89/84/183328984.db2.gz BXSUJPUKWLCNBI-CYBMUJFWSA-N 1 0 243.310 1.955 10 0 BDAERO c1cc(-c2nnc(CCC[NH2+]C3CC3)o2)ccn1 ZINC000050617763 183331670 /nfs/dbraw/zinc/33/16/70/183331670.db2.gz NROKGJBLDLRPTN-UHFFFAOYSA-N 1 0 244.298 1.816 10 0 BDAERO CCC[NH+]1CCN(C(=O)c2ccccc2N)CC1 ZINC000022163017 169201037 /nfs/dbraw/zinc/20/10/37/169201037.db2.gz VTOGDWBNRSKKSR-UHFFFAOYSA-N 1 0 247.342 1.437 10 0 BDAERO CCCNC(=O)C[NH2+]CCCC(C)C ZINC000037999729 169226142 /nfs/dbraw/zinc/22/61/42/169226142.db2.gz PKRAUNAFICBADU-UHFFFAOYSA-N 1 0 200.326 1.538 10 0 BDAERO c1ncn(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000097600545 183340689 /nfs/dbraw/zinc/34/06/89/183340689.db2.gz VSMRVMIWBZKGTN-UHFFFAOYSA-N 1 0 243.314 1.510 10 0 BDAERO c1cc(CN2CC[NH2+]CC2)c2nccnc2c1 ZINC000082652756 183344913 /nfs/dbraw/zinc/34/49/13/183344913.db2.gz GWTMPFXBMGGZSX-UHFFFAOYSA-N 1 0 228.299 1.035 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1ccccc1C ZINC000057524341 169232183 /nfs/dbraw/zinc/23/21/83/169232183.db2.gz OURDCXOJEHLLFG-GFCCVEGCSA-N 1 0 234.343 1.954 10 0 BDAERO CCCNC(=O)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000057529383 169232511 /nfs/dbraw/zinc/23/25/11/169232511.db2.gz TVSLDCUXXNPNAL-NSHDSACASA-N 1 0 238.306 1.784 10 0 BDAERO CCCNC(=O)C[C@H](C[NH3+])c1ccccc1F ZINC000057529377 169232727 /nfs/dbraw/zinc/23/27/27/169232727.db2.gz YWVJAVSAXYJXBR-SNVBAGLBSA-N 1 0 238.306 1.784 10 0 BDAERO CCC[N@@H+]1CC[C@@H](CC(=O)OC)[C@H](C)C1 ZINC000073654086 169205900 /nfs/dbraw/zinc/20/59/00/169205900.db2.gz ZXWZCPGSYLTMHC-MNOVXSKESA-N 1 0 213.321 1.918 10 0 BDAERO CCCNC(=O)CN(C)Cc1cccc(C[NH3+])c1 ZINC000037034853 169218742 /nfs/dbraw/zinc/21/87/42/169218742.db2.gz DLKQSUHPFVKXKM-UHFFFAOYSA-N 1 0 249.358 1.103 10 0 BDAERO CCCNC(=O)CN(C)[C@H](C[NH3+])c1ccccc1 ZINC000042899337 169219796 /nfs/dbraw/zinc/21/97/96/169219796.db2.gz ZGECDWBHBYVZFR-CYBMUJFWSA-N 1 0 249.358 1.144 10 0 BDAERO CCC[NH2+]CC(=O)NCc1ccc(F)cc1F ZINC000051017819 169255719 /nfs/dbraw/zinc/25/57/19/169255719.db2.gz DADRZDSZTAQGPG-UHFFFAOYSA-N 1 0 242.269 1.581 10 0 BDAERO CCC[NH2+]CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000044380238 169258607 /nfs/dbraw/zinc/25/86/07/169258607.db2.gz TUHZATHJAUTXSW-PHIMTYICSA-N 1 0 200.326 1.095 10 0 BDAERO CCC[NH2+]CCc1nnc(-c2ccccn2)o1 ZINC000050620083 169261539 /nfs/dbraw/zinc/26/15/39/169261539.db2.gz SYAKCGFVYGKEHP-UHFFFAOYSA-N 1 0 232.287 1.674 10 0 BDAERO c1cc(OC[C@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000019843685 183370547 /nfs/dbraw/zinc/37/05/47/183370547.db2.gz LQPZAFSFQPLTAI-SNVBAGLBSA-N 1 0 235.283 1.936 10 0 BDAERO CCC[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000032101969 169262381 /nfs/dbraw/zinc/26/23/81/169262381.db2.gz XIHXZJLEBQMPND-SECBINFHSA-N 1 0 245.269 1.704 10 0 BDAERO c1cn2c3c1cccc3O[C@@H](C1=[NH+]CCN1)C2 ZINC000013518979 183373221 /nfs/dbraw/zinc/37/32/21/183373221.db2.gz OPRSMNJWTUIWQC-LLVKDONJSA-N 1 0 227.267 1.404 10 0 BDAERO CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000032104642 169262579 /nfs/dbraw/zinc/26/25/79/169262579.db2.gz OETWIFKAXWHDGZ-CQSZACIVSA-N 1 0 249.354 1.915 10 0 BDAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](CN(C)C)C(C)C ZINC000049205329 169242663 /nfs/dbraw/zinc/24/26/63/169242663.db2.gz NACAVMRZTVQKLH-VXGBXAGGSA-N 1 0 243.395 1.077 10 0 BDAERO CCCNC(=O)[C@@H](C)[NH2+]CCc1ccco1 ZINC000037978072 169242770 /nfs/dbraw/zinc/24/27/70/169242770.db2.gz FAUXDUHAYVQSAY-SNVBAGLBSA-N 1 0 224.304 1.326 10 0 BDAERO c1nn(-c2ccccc2)cc1CO[C@@H]1CC[NH2+]C1 ZINC000051782338 183386046 /nfs/dbraw/zinc/38/60/46/183386046.db2.gz FUPLLZNNZRPFNA-CQSZACIVSA-N 1 0 243.310 1.751 10 0 BDAERO CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049203043 169247433 /nfs/dbraw/zinc/24/74/33/169247433.db2.gz IVCJPVJOLOVGFR-TUAOUCFPSA-N 1 0 242.363 1.184 10 0 BDAERO CCC[NH2+][C@H](C(N)=O)c1cccc(OC)c1 ZINC000037870216 169285313 /nfs/dbraw/zinc/28/53/13/169285313.db2.gz MLNPSYFGJWDFEU-NSHDSACASA-N 1 0 222.288 1.221 10 0 BDAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1CCC(N)=O ZINC000104429863 169286271 /nfs/dbraw/zinc/28/62/71/169286271.db2.gz IGXKETUWWHBZQL-NEPJUHHUSA-N 1 0 241.379 1.104 10 0 BDAERO CCCN[C@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000050270539 169289013 /nfs/dbraw/zinc/28/90/13/169289013.db2.gz RWEKOQQCEASBRZ-CQSZACIVSA-N 1 0 244.342 1.872 10 0 BDAERO c1ccc(CCC[NH2+]CCN2CCOCC2)cc1 ZINC000020053583 183390946 /nfs/dbraw/zinc/39/09/46/183390946.db2.gz NIELKWJGMXRFMU-UHFFFAOYSA-N 1 0 248.370 1.541 10 0 BDAERO CCC[NH2+]C[C@H](O)c1ccc(OC)cc1 ZINC000032012205 169264998 /nfs/dbraw/zinc/26/49/98/169264998.db2.gz ZXBJXGBJTLGKQR-LBPRGKRZSA-N 1 0 209.289 1.728 10 0 BDAERO c1ccc(CCC[NH2+]C[C@H]2CCCO2)nc1 ZINC000076276623 183392341 /nfs/dbraw/zinc/39/23/41/183392341.db2.gz JLIVCNPAJLGDGH-CYBMUJFWSA-N 1 0 220.316 1.783 10 0 BDAERO c1nc(CC[NH2+]CCc2ccccc2)c[nH]1 ZINC000036460044 183392739 /nfs/dbraw/zinc/39/27/39/183392739.db2.gz TVVCLRCNSHNLOG-UHFFFAOYSA-N 1 0 215.300 1.785 10 0 BDAERO c1ccc(CCNC2=[NH+]CCS2)nc1 ZINC000020586279 183393475 /nfs/dbraw/zinc/39/34/75/183393475.db2.gz USSNGLMRRSOQRU-UHFFFAOYSA-N 1 0 207.302 1.317 10 0 BDAERO CCC[NH2+]Cc1cccc(Cn2cncn2)c1 ZINC000052575065 169268017 /nfs/dbraw/zinc/26/80/17/169268017.db2.gz PJYOOENMIYRJMZ-UHFFFAOYSA-N 1 0 230.315 1.826 10 0 BDAERO c1ccc(CN2CCCC3(C[NH2+]C3)C2)cc1 ZINC000038530193 183396463 /nfs/dbraw/zinc/39/64/63/183396463.db2.gz AMJUPHWNJCTBKN-UHFFFAOYSA-N 1 0 216.328 1.872 10 0 BDAERO CCC[NH2+]Cc1nccn1CCCC(=O)OC ZINC000051005374 169269703 /nfs/dbraw/zinc/26/97/03/169269703.db2.gz ASZCVNHFFUNXKU-UHFFFAOYSA-N 1 0 239.319 1.336 10 0 BDAERO CCC[NH2+][C@@H](CCC)Cc1nc(COC)no1 ZINC000104156697 169278220 /nfs/dbraw/zinc/27/82/20/169278220.db2.gz ZXEGXFWBXCJIPL-JTQLQIEISA-N 1 0 241.335 1.927 10 0 BDAERO CCC[NH2+][C@@H]1CCN(C2CCOCC2)C1 ZINC000036319887 169282120 /nfs/dbraw/zinc/28/21/20/169282120.db2.gz YAGMOANCAOEEST-LLVKDONJSA-N 1 0 212.337 1.239 10 0 BDAERO CCC[NH2+][C@@H]1CCCC[C@H]1CN1CCOCC1 ZINC000026443090 169282482 /nfs/dbraw/zinc/28/24/82/169282482.db2.gz ZJSVJZPVBJHEBN-UONOGXRCSA-N 1 0 240.391 1.877 10 0 BDAERO CCCOCCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000054434647 169309147 /nfs/dbraw/zinc/30/91/47/169309147.db2.gz PDYWCZUVXCZNAL-NSHDSACASA-N 1 0 242.363 1.307 10 0 BDAERO CCCOc1ccc(-c2n[nH]c(CC[NH3+])n2)cc1 ZINC000098128269 169316640 /nfs/dbraw/zinc/31/66/40/169316640.db2.gz OHZKAHHGZPJCPI-UHFFFAOYSA-N 1 0 246.314 1.762 10 0 BDAERO CCC[NH2+][C@H]1CCC[C@H]1N1CCCOCC1 ZINC000061918074 169291946 /nfs/dbraw/zinc/29/19/46/169291946.db2.gz HABKTABWWIIDAM-QWHCGFSZSA-N 1 0 226.364 1.629 10 0 BDAERO CCCOc1ccc([C@@H](O)C[NH2+]C)cc1 ZINC000032012248 169321407 /nfs/dbraw/zinc/32/14/07/169321407.db2.gz YYUCWQZKYIXBIK-LBPRGKRZSA-N 1 0 209.289 1.728 10 0 BDAERO c1ccc2oc(OC[C@@H]3CC[NH2+]C3)nc2c1 ZINC000051888781 183461691 /nfs/dbraw/zinc/46/16/91/183461691.db2.gz RXEFNEIXHWGMBC-SECBINFHSA-N 1 0 218.256 1.816 10 0 BDAERO CCC[C@@H](C(=O)N1CCC(C)(C)C1)[NH+](C)C ZINC000122918409 169344337 /nfs/dbraw/zinc/34/43/37/169344337.db2.gz XORLQNICOQJLDY-NSHDSACASA-N 1 0 226.364 1.975 10 0 BDAERO CCCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000075418247 169333769 /nfs/dbraw/zinc/33/37/69/169333769.db2.gz FIIOLIQOQRWFII-ZYHUDNBSSA-N 1 0 241.356 1.900 10 0 BDAERO CCC[C@@H](C)NC(=O)CN(CCC[NH3+])C1CC1 ZINC000049287596 169367073 /nfs/dbraw/zinc/36/70/73/169367073.db2.gz SIMMBSNBCVTHGO-LLVKDONJSA-N 1 0 241.379 1.104 10 0 BDAERO CCC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000052015075 169367606 /nfs/dbraw/zinc/36/76/06/169367606.db2.gz WQILYTYSFPWJTR-UTUOFQBUSA-N 1 0 242.363 1.184 10 0 BDAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCCOCC ZINC000034938529 169368239 /nfs/dbraw/zinc/36/82/39/169368239.db2.gz MSKDCKQPXWTTCG-NEPJUHHUSA-N 1 0 244.379 1.696 10 0 BDAERO CCC[C@@H](C)[NH2+]CCn1nc2ccccn2c1=O ZINC000053523196 169369934 /nfs/dbraw/zinc/36/99/34/169369934.db2.gz VHWALGKEKYASHJ-LLVKDONJSA-N 1 0 248.330 1.274 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000038010077 169388815 /nfs/dbraw/zinc/38/88/15/169388815.db2.gz VTUSIXWJVXBFES-NWDGAFQWSA-N 1 0 248.326 1.234 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(O)c1 ZINC000037005200 169392359 /nfs/dbraw/zinc/39/23/59/169392359.db2.gz LLRDGNBQHCYXEA-BXKDBHETSA-N 1 0 236.315 1.697 10 0 BDAERO CCC[C@@H]([NH3+])c1noc([C@H]2CCOC2)n1 ZINC000041052512 169394703 /nfs/dbraw/zinc/39/47/03/169394703.db2.gz GKNKJWFVZXWXJZ-JGVFFNPUSA-N 1 0 211.265 1.373 10 0 BDAERO c1ncc(CS[C@@H]2CC[NH2+]C2)s1 ZINC000095092711 183547180 /nfs/dbraw/zinc/54/71/80/183547180.db2.gz MHUWNSKVHLUDKE-SSDOTTSWSA-N 1 0 200.332 1.738 10 0 BDAERO CCC[C@@]1(C(=O)N(C)[C@H](C)COC)CC[NH2+]C1 ZINC000062895744 169460440 /nfs/dbraw/zinc/46/04/40/169460440.db2.gz CRFSQLBPWQOLHV-DGCLKSJQSA-N 1 0 242.363 1.260 10 0 BDAERO CCN(CC)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000174002734 535458624 /nfs/dbraw/zinc/45/86/24/535458624.db2.gz QBWLFXKTJBQOCX-RYUDHWBXSA-N 1 0 241.379 1.767 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC000039093701 166667719 /nfs/dbraw/zinc/66/77/19/166667719.db2.gz XGLFMLXUHIJJGF-XHNCKOQMSA-N 1 0 212.293 1.119 10 0 BDAERO CCCc1ccccc1-n1nnnc1C[NH2+]C ZINC000054762475 169577615 /nfs/dbraw/zinc/57/76/15/169577615.db2.gz QKOQTWORHJIIIJ-UHFFFAOYSA-N 1 0 231.303 1.334 10 0 BDAERO CCCn1cc(N2CCC[C@@H]([NH3+])C2)cn1 ZINC000043470609 169620872 /nfs/dbraw/zinc/62/08/72/169620872.db2.gz SGRCEJVKWVOBOY-SNVBAGLBSA-N 1 0 208.309 1.221 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1[C@@H](C)COC ZINC000083085051 171101196 /nfs/dbraw/zinc/10/11/96/171101196.db2.gz LFWIUDLYMVVKCQ-GARJFASQSA-N 1 0 200.326 1.094 10 0 BDAERO COCCCCCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000226326888 134360226 /nfs/dbraw/zinc/36/02/26/134360226.db2.gz GLSCHKJNYTWLRJ-WDEREUQCSA-N 1 0 228.336 1.047 10 0 BDAERO CCN(C(=O)N1CCCC1)C(C)(C)C[NH3+] ZINC000082642386 169641225 /nfs/dbraw/zinc/64/12/25/169641225.db2.gz VHLNPSRZSLBVNW-UHFFFAOYSA-N 1 0 213.325 1.261 10 0 BDAERO CCN(C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC000037082569 169650234 /nfs/dbraw/zinc/65/02/34/169650234.db2.gz LTXGUZSZLDSLGT-GHMZBOCLSA-N 1 0 212.337 1.631 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035677113 383867156 /nfs/dbraw/zinc/86/71/56/383867156.db2.gz DACCINGOQFWAFJ-QMMMGPOBSA-N 1 0 205.088 1.952 10 0 BDAERO OC[C@H]1CCCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000227510063 134382298 /nfs/dbraw/zinc/38/22/98/134382298.db2.gz JAKFHCXPWCLKDX-IKWCTNDRSA-N 1 0 227.348 1.431 10 0 BDAERO CO[C@H](C[NH2+]C[C@H]1CCC[C@H]1O)C1CC1 ZINC000400218817 383922987 /nfs/dbraw/zinc/92/29/87/383922987.db2.gz HWWWEMRLHCTCIZ-IJLUTSLNSA-N 1 0 213.321 1.162 10 0 BDAERO c1csc([C@H]2C[C@H]2CN2CC[NH2+]CC2)c1 ZINC000068592043 384002632 /nfs/dbraw/zinc/00/26/32/384002632.db2.gz SHGZQVYPGSDCLG-QWRGUYRKSA-N 1 0 222.357 1.757 10 0 BDAERO CN[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000050269941 383990139 /nfs/dbraw/zinc/99/01/39/383990139.db2.gz DLEZIQDWEZIZDC-LURJTMIESA-N 1 0 235.150 1.730 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ncc[nH]1 ZINC000278487372 384002665 /nfs/dbraw/zinc/00/26/65/384002665.db2.gz BFAVDLMYURDNHP-GARJFASQSA-N 1 0 223.320 1.611 10 0 BDAERO CN[C@H](C[NH3+])c1ccc(Br)cc1F ZINC000050269971 383991255 /nfs/dbraw/zinc/99/12/55/383991255.db2.gz BXFJMZCZXNXLCO-SECBINFHSA-N 1 0 247.111 1.807 10 0 BDAERO CN(C)c1nc(C(F)(F)F)n2c1C[NH2+]CC2 ZINC000089195630 383940273 /nfs/dbraw/zinc/94/02/73/383940273.db2.gz IKZIPVKANPMMEF-UHFFFAOYSA-N 1 0 234.225 1.071 10 0 BDAERO Cc1[nH]nc2ccnc(N3CC[NH+](C)CC3)c21 ZINC000089220131 383949026 /nfs/dbraw/zinc/94/90/26/383949026.db2.gz JWJNSCQPTZVTKN-UHFFFAOYSA-N 1 0 231.303 1.018 10 0 BDAERO COc1ccc([C@H](C)[NH3+])c(OC)c1OC ZINC000003705650 384026979 /nfs/dbraw/zinc/02/69/79/384026979.db2.gz PKLNPKXFQTWPOI-ZETCQYMHSA-N 1 0 211.261 1.732 10 0 BDAERO CO[C@@H]1CCC[C@@H]1NC1=[NH+]CCS1 ZINC000050375874 384010606 /nfs/dbraw/zinc/01/06/06/384010606.db2.gz YIFKTVFHEKGVKO-JGVFFNPUSA-N 1 0 200.307 1.246 10 0 BDAERO [NH3+]Cc1ccc([C@H](O)c2ccoc2)s1 ZINC000090397617 384045206 /nfs/dbraw/zinc/04/52/06/384045206.db2.gz YMIVFQHLDCZDPY-SNVBAGLBSA-N 1 0 209.270 1.882 10 0 BDAERO CC(C)[C@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000039091356 384099790 /nfs/dbraw/zinc/09/97/90/384099790.db2.gz YWAMFTBALAAREO-MRVPVSSYSA-N 1 0 202.298 1.494 10 0 BDAERO COC(=O)c1c(C)[nH+]c2c(c1N)CCC2 ZINC000039086928 384101411 /nfs/dbraw/zinc/10/14/11/384101411.db2.gz ZHAFBCASJFUBNF-UHFFFAOYSA-N 1 0 206.245 1.248 10 0 BDAERO [NH3+][C@H]1CSC[C@H]1Cc1cncs1 ZINC000156987047 384102777 /nfs/dbraw/zinc/10/27/77/384102777.db2.gz WFLZUOVVJBIJRI-SVRRBLITSA-N 1 0 200.332 1.376 10 0 BDAERO CCc1ccccc1NN[C@H]1CCC[NH2+]C1 ZINC000039102111 384103243 /nfs/dbraw/zinc/10/32/43/384103243.db2.gz PHUFWALAEOWANE-LBPRGKRZSA-N 1 0 219.332 1.918 10 0 BDAERO CCO[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000039099954 384103583 /nfs/dbraw/zinc/10/35/83/384103583.db2.gz AFTFWZMXYMSIDT-NWDGAFQWSA-N 1 0 213.321 1.666 10 0 BDAERO CCc1cccc2c1N1[C@@H](C2)C[NH2+]C[C@H]1C ZINC000039101939 384103628 /nfs/dbraw/zinc/10/36/28/384103628.db2.gz JSGBHHCKDRILGB-MFKMUULPSA-N 1 0 216.328 1.972 10 0 BDAERO CCc1ccccc1NN[C@@H]1CCC[NH2+]C1 ZINC000039102110 384104461 /nfs/dbraw/zinc/10/44/61/384104461.db2.gz PHUFWALAEOWANE-GFCCVEGCSA-N 1 0 219.332 1.918 10 0 BDAERO CC(=O)Nc1cc(C[NH3+])cc(NC(C)=O)c1 ZINC000039124307 384106756 /nfs/dbraw/zinc/10/67/56/384106756.db2.gz UNWZEWGOOWFHMB-UHFFFAOYSA-N 1 0 221.260 1.062 10 0 BDAERO C[C@@H](NC1=[NH+]CCS1)c1ccccn1 ZINC000035695393 384094793 /nfs/dbraw/zinc/09/47/93/384094793.db2.gz KLCXSZDEBFWMCJ-MRVPVSSYSA-N 1 0 207.302 1.835 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](Cc3ccccn3)C2)cn1 ZINC000116311694 384127442 /nfs/dbraw/zinc/12/74/42/384127442.db2.gz TZKSKTJTEPXTET-GFCCVEGCSA-N 1 0 242.326 1.805 10 0 BDAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccnc3)C2)cn1 ZINC000116320869 384128374 /nfs/dbraw/zinc/12/83/74/384128374.db2.gz HXHOLNRCTNNVOY-CYBMUJFWSA-N 1 0 242.326 1.805 10 0 BDAERO Cn1cc([C@H]2CC[N@H+](Cc3ccccn3)C2)cn1 ZINC000116311697 384128551 /nfs/dbraw/zinc/12/85/51/384128551.db2.gz TZKSKTJTEPXTET-LBPRGKRZSA-N 1 0 242.326 1.805 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)o1 ZINC000091667157 384138375 /nfs/dbraw/zinc/13/83/75/384138375.db2.gz CCMIITXGTWLJNM-RYUDHWBXSA-N 1 0 238.331 1.569 10 0 BDAERO Cc1cnn(CC[NH2+]CC2CCSCC2)c1 ZINC000304309589 384175708 /nfs/dbraw/zinc/17/57/08/384175708.db2.gz AUGJNPHZAKPUJB-UHFFFAOYSA-N 1 0 239.388 1.924 10 0 BDAERO CC[C@H]([NH3+])c1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000304283697 384161091 /nfs/dbraw/zinc/16/10/91/384161091.db2.gz XUABCTSRYKDLRA-WCBMZHEXSA-N 1 0 226.324 1.095 10 0 BDAERO C[NH2+][C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000071508414 384168016 /nfs/dbraw/zinc/16/80/16/384168016.db2.gz NBPRBKHRAWWHFV-QMMMGPOBSA-N 1 0 202.257 1.959 10 0 BDAERO CCCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000117880575 384183540 /nfs/dbraw/zinc/18/35/40/384183540.db2.gz RLZCTEVYPGHZDH-ZDUSSCGKSA-N 1 0 237.347 1.774 10 0 BDAERO CCCCOC[C@@H](O)C[N@H+](CCO)C1CCC1 ZINC000227908181 134398557 /nfs/dbraw/zinc/39/85/57/134398557.db2.gz XWSBRWNZVAQPSE-ZDUSSCGKSA-N 1 0 245.363 1.011 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](CCc3cnccn3)C[C@H]2C1 ZINC000402901936 384239230 /nfs/dbraw/zinc/23/92/30/384239230.db2.gz HYTTZMONXCZUGE-YRGRVCCFSA-N 1 0 247.342 1.112 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282349694 384243733 /nfs/dbraw/zinc/24/37/33/384243733.db2.gz MSPVVYFJQIIKRH-WCQYABFASA-N 1 0 232.327 1.752 10 0 BDAERO CCOCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000082699514 384256159 /nfs/dbraw/zinc/25/61/59/384256159.db2.gz VYYZFJUYAOAZLK-NWDGAFQWSA-N 1 0 212.337 1.191 10 0 BDAERO c1ncc(CN(C[C@@H]2CCC[NH2+]2)C2CC2)s1 ZINC000303740663 384304540 /nfs/dbraw/zinc/30/45/40/384304540.db2.gz BCWXWMMLZRAOFY-JTQLQIEISA-N 1 0 237.372 1.860 10 0 BDAERO Cc1ccc([C@H](C)NC(=O)NCC[NH+](C)C)o1 ZINC000133354107 384288184 /nfs/dbraw/zinc/28/81/84/384288184.db2.gz YTHSGSAELIWVOO-JTQLQIEISA-N 1 0 239.319 1.510 10 0 BDAERO C[C@H]1C[NH+](CCC2(O)CCC2)C[C@H](C)O1 ZINC000335473933 384289147 /nfs/dbraw/zinc/28/91/47/384289147.db2.gz DSNWCZBFXNODDT-QWRGUYRKSA-N 1 0 213.321 1.401 10 0 BDAERO Nc1ncccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094442115 384301832 /nfs/dbraw/zinc/30/18/32/384301832.db2.gz DXVNGWUBJKEJAG-CYBMUJFWSA-N 1 0 246.358 1.334 10 0 BDAERO Clc1cnc(OCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000095070058 384335173 /nfs/dbraw/zinc/33/51/73/384335173.db2.gz TWNCBCOSKWIAAW-VIFPVBQESA-N 1 0 241.722 1.899 10 0 BDAERO Clc1nccc(S[C@@H]2CCC[NH2+]C2)n1 ZINC000095070176 384336521 /nfs/dbraw/zinc/33/65/21/384336521.db2.gz CMJQXEIVKBIJPG-SSDOTTSWSA-N 1 0 229.736 1.974 10 0 BDAERO CN(CC(=O)c1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000095070708 384336921 /nfs/dbraw/zinc/33/69/21/384336921.db2.gz GFRLQEDTSCHBBZ-SECBINFHSA-N 1 0 239.344 1.010 10 0 BDAERO CN(C[C@@H]1CCCC[NH2+]1)c1nccc(Cl)n1 ZINC000095070804 384338479 /nfs/dbraw/zinc/33/84/79/384338479.db2.gz YANZZSAWRMEVPE-VIFPVBQESA-N 1 0 240.738 1.708 10 0 BDAERO CN(C[C@H]1CCC[NH2+]1)c1nccc(Cl)n1 ZINC000095070945 384339134 /nfs/dbraw/zinc/33/91/34/384339134.db2.gz HRHVDESFAYXHSY-MRVPVSSYSA-N 1 0 226.711 1.318 10 0 BDAERO Cc1ccsc1C(=O)N(C)C[C@H]1CC[NH2+]C1 ZINC000095071169 384339464 /nfs/dbraw/zinc/33/94/64/384339464.db2.gz DPJHTDUAGPNTQN-JTQLQIEISA-N 1 0 238.356 1.738 10 0 BDAERO Cc1ccc(N(C)C[C@@H]2CCC[NH2+]2)nc1 ZINC000095070928 384339472 /nfs/dbraw/zinc/33/94/72/384339472.db2.gz RYEGRZBSJQCDJO-NSHDSACASA-N 1 0 205.305 1.578 10 0 BDAERO CN(C[C@@H]1CCC[NH2+]1)C(=O)Cc1ccsc1 ZINC000095070908 384339523 /nfs/dbraw/zinc/33/95/23/384339523.db2.gz ZTWPGDWWESZNPT-NSHDSACASA-N 1 0 238.356 1.501 10 0 BDAERO CN(Cc1ccnc(Cl)n1)C[C@H]1CCC[NH2+]1 ZINC000095071015 384339587 /nfs/dbraw/zinc/33/95/87/384339587.db2.gz MMVXRSRYGFGXND-SECBINFHSA-N 1 0 240.738 1.314 10 0 BDAERO CN(CC1CC[NH2+]CC1)c1ccnc(Cl)n1 ZINC000095071312 384341682 /nfs/dbraw/zinc/34/16/82/384341682.db2.gz LSKWDUKJRNFMOJ-UHFFFAOYSA-N 1 0 240.738 1.566 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2cccnc2[nH]1 ZINC000095072246 384343055 /nfs/dbraw/zinc/34/30/55/384343055.db2.gz QYJNKHFFUDOQDT-BDAKNGLRSA-N 1 0 231.303 1.640 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCc1ccnc(Cl)n1 ZINC000095072306 384343106 /nfs/dbraw/zinc/34/31/06/384343106.db2.gz LOHCYXOLSPQMPU-ZJUUUORDSA-N 1 0 240.738 1.490 10 0 BDAERO [NH3+][C@@H]1CCCN(Cc2ccc(Cl)nn2)C1 ZINC000095072372 384343188 /nfs/dbraw/zinc/34/31/88/384343188.db2.gz MKSWYMNTBWHSJL-MRVPVSSYSA-N 1 0 226.711 1.053 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCc1cccnc1 ZINC000095072279 384343192 /nfs/dbraw/zinc/34/31/92/384343192.db2.gz ZQDINQSIVZDTEE-NWDGAFQWSA-N 1 0 205.305 1.441 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1NCc1ccnc(Cl)n1 ZINC000095072304 384343966 /nfs/dbraw/zinc/34/39/66/384343966.db2.gz LOHCYXOLSPQMPU-UWVGGRQHSA-N 1 0 240.738 1.490 10 0 BDAERO O=C(CNC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072793 384345069 /nfs/dbraw/zinc/34/50/69/384345069.db2.gz QUDXSGYNKGRTJO-SNVBAGLBSA-N 1 0 222.288 1.052 10 0 BDAERO O=C(COCC1CC[NH2+]CC1)c1ccccn1 ZINC000095072908 384345151 /nfs/dbraw/zinc/34/51/51/384345151.db2.gz FHQCBYKSIFAHHN-UHFFFAOYSA-N 1 0 234.299 1.281 10 0 BDAERO O=C(COCC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072926 384345233 /nfs/dbraw/zinc/34/52/33/384345233.db2.gz IBAZMVJMERHTRE-LLVKDONJSA-N 1 0 237.299 1.869 10 0 BDAERO O=C(COC[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000095072873 384346231 /nfs/dbraw/zinc/34/62/31/384346231.db2.gz QOTVTMOPHHLOFN-VIFPVBQESA-N 1 0 225.313 1.699 10 0 BDAERO Nc1ccc2c(cnn2C2CC[NH2+]CC2)c1 ZINC000075944603 384346921 /nfs/dbraw/zinc/34/69/21/384346921.db2.gz GOGNXOJOGHXHEF-UHFFFAOYSA-N 1 0 216.288 1.543 10 0 BDAERO O=[S@@](Cc1ccncc1)C[C@@H]1CCCC[NH2+]1 ZINC000095073517 384347253 /nfs/dbraw/zinc/34/72/53/384347253.db2.gz AWIJXBQBGOELJV-BLLLJJGKSA-N 1 0 238.356 1.472 10 0 BDAERO O=[S@](Cc1cccnc1)C1CC[NH2+]CC1 ZINC000095073442 384347329 /nfs/dbraw/zinc/34/73/29/384347329.db2.gz OGYXRKIBWMETGV-HNNXBMFYSA-N 1 0 224.329 1.082 10 0 BDAERO O=[S@@](Cc1cccnc1)C[C@@H]1CCCC[NH2+]1 ZINC000095073513 384348071 /nfs/dbraw/zinc/34/80/71/384348071.db2.gz DOHHRHDGFLSEFF-BLLLJJGKSA-N 1 0 238.356 1.472 10 0 BDAERO O=[S@@](Cc1cncs1)[C@@H]1CCC[NH2+]C1 ZINC000095073459 384348137 /nfs/dbraw/zinc/34/81/37/384348137.db2.gz ANYSWZPNRKFWBZ-YMTOWFKASA-N 1 0 230.358 1.144 10 0 BDAERO O=[S@@](C[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095073472 384348484 /nfs/dbraw/zinc/34/84/84/384348484.db2.gz MQNFEMSMFFVWAJ-ZUZCIYMTSA-N 1 0 224.329 1.331 10 0 BDAERO C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000095075683 384349853 /nfs/dbraw/zinc/34/98/53/384349853.db2.gz ADVNVNXHKJFUDO-MRVPVSSYSA-N 1 0 214.309 1.461 10 0 BDAERO C[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(F)cc1 ZINC000095075907 384351334 /nfs/dbraw/zinc/35/13/34/384351334.db2.gz FKFNWHIJVXJBTQ-AAEUAGOBSA-N 1 0 223.291 1.993 10 0 BDAERO O=C(NC[C@H]1CC2CCC1CC2)[C@@H]1CC[NH2+]C1 ZINC000335590792 384354110 /nfs/dbraw/zinc/35/41/10/384354110.db2.gz IYUXKKHDVKJGTL-FIYWTHMPSA-N 1 0 236.359 1.538 10 0 BDAERO Cc1cnccc1CC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000335592624 384354791 /nfs/dbraw/zinc/35/47/91/384354791.db2.gz QDIDBQRYUPFHDI-SMDDNHRTSA-N 1 0 234.343 1.635 10 0 BDAERO O=C(NC[C@@H]1CC2CCC1CC2)[C@H]1CC[NH2+]C1 ZINC000335590800 384354870 /nfs/dbraw/zinc/35/48/70/384354870.db2.gz IYUXKKHDVKJGTL-TYUFSLCMSA-N 1 0 236.359 1.538 10 0 BDAERO CS[C@H]1CNCCN1C(=O)OC(C)(C)C ZINC000095081672 384358946 /nfs/dbraw/zinc/35/89/46/384358946.db2.gz AVIKKGKMXVDSLC-QMMMGPOBSA-N 1 0 232.349 1.516 10 0 BDAERO c1cnc2[nH]c(NC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092615 384362867 /nfs/dbraw/zinc/36/28/67/384362867.db2.gz VUFLYSGKHSKJDF-SECBINFHSA-N 1 0 231.303 1.369 10 0 BDAERO c1cncc(CSC[C@@H]2CC[NH2+]C2)c1 ZINC000095092751 384363143 /nfs/dbraw/zinc/36/31/43/384363143.db2.gz FKONOQRWNWPJTK-LLVKDONJSA-N 1 0 208.330 1.924 10 0 BDAERO C[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000095347655 384368938 /nfs/dbraw/zinc/36/89/38/384368938.db2.gz WZYNYEJNHUTUMN-GXTWGEPZSA-N 1 0 234.343 1.495 10 0 BDAERO [NH3+]CCc1n[nH]c2cc(Br)ccc21 ZINC000044399258 384331020 /nfs/dbraw/zinc/33/10/20/384331020.db2.gz HIQQBGOPOWNOBX-UHFFFAOYSA-N 1 0 240.104 1.827 10 0 BDAERO Cc1ccc([S@](=O)C[C@H]2CCC[NH2+]C2)nc1 ZINC000095069063 384332406 /nfs/dbraw/zinc/33/24/06/384332406.db2.gz HAFHRAOHGJKZSA-ZBEGNZNMSA-N 1 0 238.356 1.497 10 0 BDAERO Cc1cc(Cl)nc(N2CCCC[C@@H]2C[NH3+])n1 ZINC000095068916 384332667 /nfs/dbraw/zinc/33/26/67/384332667.db2.gz CASFMEYYZBTCFH-SECBINFHSA-N 1 0 240.738 1.756 10 0 BDAERO Cc1ccnc([S@](=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000095069216 384332829 /nfs/dbraw/zinc/33/28/29/384332829.db2.gz XGPHPUTZZSDQCA-ZBEGNZNMSA-N 1 0 238.356 1.640 10 0 BDAERO CCc1cccc2c([C@@H]([NH3+])CN)c[nH]c21 ZINC000044474071 384333190 /nfs/dbraw/zinc/33/31/90/384333190.db2.gz RXBXSRFUIOJYKQ-NSHDSACASA-N 1 0 203.289 1.689 10 0 BDAERO C[C@H]([NH2+]CC1CC(O)C1)c1nccs1 ZINC000084446019 384398027 /nfs/dbraw/zinc/39/80/27/384398027.db2.gz OMSBTPPPXASLHC-UEJVZZJDSA-N 1 0 212.318 1.565 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1NCc1ccccn1 ZINC000335642586 384416321 /nfs/dbraw/zinc/41/63/21/384416321.db2.gz FXQCDWZSVHZABQ-ZYHUDNBSSA-N 1 0 205.305 1.312 10 0 BDAERO CCCc1noc([C@H]2CSC[C@@H]2[NH3+])n1 ZINC000134803417 384417845 /nfs/dbraw/zinc/41/78/45/384417845.db2.gz IOILCLCHQNRTGF-BQBZGAKWSA-N 1 0 213.306 1.180 10 0 BDAERO CN(C)c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000096024119 384421532 /nfs/dbraw/zinc/42/15/32/384421532.db2.gz AGIQGKWSPBAAKD-UHFFFAOYSA-N 1 0 234.328 1.403 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC=CC1 ZINC000084212604 384377793 /nfs/dbraw/zinc/37/77/93/384377793.db2.gz NSMUPUICJPGQMI-QWRGUYRKSA-N 1 0 208.305 1.196 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159580299 384447985 /nfs/dbraw/zinc/44/79/85/384447985.db2.gz LIWSAAZTSMLOGT-GWCFXTLKSA-N 1 0 224.348 1.823 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000078099318 384432825 /nfs/dbraw/zinc/43/28/25/384432825.db2.gz XMYGQAXKEOMNDO-DCAQKATOSA-N 1 0 240.347 1.899 10 0 BDAERO [NH3+]Cc1cccc(C[C@@H]2CCCNC2=O)c1 ZINC000028635028 384471325 /nfs/dbraw/zinc/47/13/25/384471325.db2.gz WOUBCSVRQLAOBC-LBPRGKRZSA-N 1 0 218.300 1.214 10 0 in-vivo BDAERO C[NH2+][C@@H]1CCCCCC[C@@H]1S(C)(=O)=O ZINC000054930200 384511767 /nfs/dbraw/zinc/51/17/67/384511767.db2.gz LNWFNWKTAZRONK-ZJUUUORDSA-N 1 0 219.350 1.342 10 0 BDAERO C[C@@](C[NH3+])(c1ccccn1)N1CCCC1 ZINC000082639919 384512985 /nfs/dbraw/zinc/51/29/85/384512985.db2.gz QSFWIOCFYXNSEA-GFCCVEGCSA-N 1 0 205.305 1.351 10 0 BDAERO CCSCC[NH2+][C@H]1CCc2nccn2C1 ZINC000372468485 384515146 /nfs/dbraw/zinc/51/51/46/384515146.db2.gz HWZZWJOMLRHFAL-JTQLQIEISA-N 1 0 225.361 1.541 10 0 BDAERO COc1c(C[N@H+](C)CC2CC2)c(C)nn1C ZINC000122927682 384523859 /nfs/dbraw/zinc/52/38/59/384523859.db2.gz JQSNCZXAZIVLNH-UHFFFAOYSA-N 1 0 223.320 1.579 10 0 BDAERO C(CN1CC[N@@H+]2CCC[C@H]2C1)OCC1CC1 ZINC000172794796 384527074 /nfs/dbraw/zinc/52/70/74/384527074.db2.gz UNBATJLCVQPCHW-ZDUSSCGKSA-N 1 0 224.348 1.193 10 0 BDAERO CC[C@](C)(CN1C[C@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC000323238932 384530511 /nfs/dbraw/zinc/53/05/11/384530511.db2.gz QEPFZGUIXHVNKW-MGPQQGTHSA-N 1 0 240.391 1.970 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252217766 384532868 /nfs/dbraw/zinc/53/28/68/384532868.db2.gz ZPNYKRSQQZBZLK-YTWAJWBKSA-N 1 0 212.337 1.535 10 0 BDAERO C[C@H](C[NH2+][C@@H](C)c1ccco1)N1CCOCC1 ZINC000123485653 384562760 /nfs/dbraw/zinc/56/27/60/384562760.db2.gz FNPVWWLCLKCKNG-NEPJUHHUSA-N 1 0 238.331 1.651 10 0 BDAERO Cn1ccnc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085638403 384551432 /nfs/dbraw/zinc/55/14/32/384551432.db2.gz RJBCZFIBCSUFLH-DLOVCJGASA-N 1 0 235.331 1.323 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000052395646 384538502 /nfs/dbraw/zinc/53/85/02/384538502.db2.gz LIDGPWHDRNNNKU-MRVPVSSYSA-N 1 0 210.252 1.681 10 0 BDAERO CC[NH+](CC)[C@@H]1C(=O)O[C@]2(C)CCOC[C@@H]12 ZINC000255968362 384570387 /nfs/dbraw/zinc/57/03/87/384570387.db2.gz CZJYXHOMMHIACO-JBLDHEPKSA-N 1 0 227.304 1.049 10 0 BDAERO COc1ccc([C@H](O)C[NH+]2CCCC2)cc1F ZINC000049829664 384571276 /nfs/dbraw/zinc/57/12/76/384571276.db2.gz VJANEVYGYANZFK-GFCCVEGCSA-N 1 0 239.290 1.964 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403255565 384610133 /nfs/dbraw/zinc/61/01/33/384610133.db2.gz JPPVWBFJJWXPQA-YVECIDJPSA-N 1 0 238.375 1.912 10 0 BDAERO CC[C@H](CO)[NH2+][C@H](C)CC(C)(C)OC ZINC000020524748 384622127 /nfs/dbraw/zinc/62/21/27/384622127.db2.gz KBQCZHCLPZZVFO-NXEZZACHSA-N 1 0 203.326 1.551 10 0 BDAERO COC[C@H](C)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000103430611 384626719 /nfs/dbraw/zinc/62/67/19/384626719.db2.gz BVKVBIDJKXBOFF-RYUDHWBXSA-N 1 0 242.363 1.260 10 0 BDAERO CC(=O)[C@H](C[NH3+])Cc1ccc2c(c1)CCO2 ZINC000098096038 384592817 /nfs/dbraw/zinc/59/28/17/384592817.db2.gz VTCKTFCPRAEQJW-LBPRGKRZSA-N 1 0 219.284 1.328 10 0 BDAERO CC(=O)[C@H](C[NH3+])Cc1cncc2ccccc21 ZINC000098096030 384594055 /nfs/dbraw/zinc/59/40/55/384594055.db2.gz HYXDEFPHSHBMOQ-LBPRGKRZSA-N 1 0 228.295 1.941 10 0 BDAERO CC(=O)[C@@H]1[C@H](c2ccccc2)[NH2+]CCN1C ZINC000098181193 384601181 /nfs/dbraw/zinc/60/11/81/384601181.db2.gz QTDQWURQPARVOC-QWHCGFSZSA-N 1 0 218.300 1.220 10 0 BDAERO CC(C)(C)OC(=O)N1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000082359730 384671251 /nfs/dbraw/zinc/67/12/51/384671251.db2.gz DTQFSFGKCIRARX-NXEZZACHSA-N 1 0 226.320 1.748 10 0 BDAERO CC(C)[C@@](C)(O)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000160209825 384660998 /nfs/dbraw/zinc/66/09/98/384660998.db2.gz KDEXAMKNVRAGRC-KGLIPLIRSA-N 1 0 240.391 1.564 10 0 BDAERO c1cnc(SC[C@H]2CCCC[NH2+]2)cn1 ZINC000082433471 384683184 /nfs/dbraw/zinc/68/31/84/384683184.db2.gz RRMZFRNELXHMIX-SECBINFHSA-N 1 0 209.318 1.711 10 0 BDAERO c1cncc(COC[C@@H]2CCCC[NH2+]2)c1 ZINC000051816004 384687467 /nfs/dbraw/zinc/68/74/67/384687467.db2.gz CANVTZHUEPQXSD-LBPRGKRZSA-N 1 0 206.289 1.740 10 0 BDAERO CCn1ccnc1CN[C@H]1CCC[N@H+](CC)C1 ZINC000051924014 384705476 /nfs/dbraw/zinc/70/54/76/384705476.db2.gz CAELHBVYLZBAFA-LBPRGKRZSA-N 1 0 236.363 1.477 10 0 BDAERO CC[C@H](CO)[NH2+][C@@H]1[C@H](C)[C@H](OC)C12CCC2 ZINC000309910465 384705928 /nfs/dbraw/zinc/70/59/28/384705928.db2.gz MKRXGKJUOFFYLS-QCNOEVLYSA-N 1 0 227.348 1.551 10 0 BDAERO Cc1cnc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)o1 ZINC000173653749 384706041 /nfs/dbraw/zinc/70/60/41/384706041.db2.gz ZWPDMNOQSYQTKS-NSHDSACASA-N 1 0 246.314 1.706 10 0 BDAERO C[C@@H]([NH3+])[C@@H](N1CCSCC1)C(C)(C)C ZINC000043291936 384722705 /nfs/dbraw/zinc/72/27/05/384722705.db2.gz LQTSIOVIYHHEFU-NXEZZACHSA-N 1 0 216.394 1.797 10 0 BDAERO CC(=O)CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000103473841 384777183 /nfs/dbraw/zinc/77/71/83/384777183.db2.gz JJHNSHRGVGEONN-ZDUSSCGKSA-N 1 0 247.342 1.795 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCc2sccc2[C@@H]1C ZINC000054075708 384729966 /nfs/dbraw/zinc/72/99/66/384729966.db2.gz YLAHLEDPUDYKFI-BDAKNGLRSA-N 1 0 238.356 1.802 10 0 BDAERO [NH3+]Cc1nc(CN2CCSCC2)cs1 ZINC000052425632 384732652 /nfs/dbraw/zinc/73/26/52/384732652.db2.gz YFLOEHQVUQMWPJ-UHFFFAOYSA-N 1 0 229.374 1.151 10 0 BDAERO N[C@H](C[NH3+])c1cc(OC(F)(F)F)ccc1F ZINC000044473154 384741113 /nfs/dbraw/zinc/74/11/13/384741113.db2.gz FMVZANJOPWWEPI-MRVPVSSYSA-N 1 0 238.184 1.683 10 0 BDAERO C[C@@H]([NH3+])c1noc(C(F)(F)Br)n1 ZINC000156772783 384754465 /nfs/dbraw/zinc/75/44/65/384754465.db2.gz AGNBFUKTSHKNLU-UWTATZPHSA-N 1 0 242.023 1.534 10 0 BDAERO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309989964 384761489 /nfs/dbraw/zinc/76/14/89/384761489.db2.gz ZVJRWXYZYVORTG-BBBLOLIVSA-N 1 0 228.336 1.057 10 0 BDAERO CCOC[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000375840492 384823590 /nfs/dbraw/zinc/82/35/90/384823590.db2.gz LOSFSMVIQHWXOQ-MNOVXSKESA-N 1 0 223.320 1.213 10 0 BDAERO CC[C@H](C)CN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643688813 384829915 /nfs/dbraw/zinc/82/99/15/384829915.db2.gz KYBKJESNUWVRDH-AAEUAGOBSA-N 1 0 242.363 1.260 10 0 BDAERO CC[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C(C)C ZINC000042592730 384830426 /nfs/dbraw/zinc/83/04/26/384830426.db2.gz YLOACXCROLKXQS-NXEZZACHSA-N 1 0 200.326 1.521 10 0 BDAERO C[C@H]1C[C@H]([NH3+])Cn2c(Br)cnc21 ZINC000156231236 384834472 /nfs/dbraw/zinc/83/44/72/384834472.db2.gz YYTZYVHNURYVOH-WDSKDSINSA-N 1 0 230.109 1.480 10 0 BDAERO c1cnn(CCN(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000310047526 384785416 /nfs/dbraw/zinc/78/54/16/384785416.db2.gz VSBONKBOKCEBHP-GFCCVEGCSA-N 1 0 234.347 1.100 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000048775568 384788155 /nfs/dbraw/zinc/78/81/55/384788155.db2.gz SCBYBMBPJADSRF-MRVPVSSYSA-N 1 0 226.707 1.564 10 0 BDAERO Cc1ccsc1[C@@H](C)[NH2+]C(CO)CO ZINC000083691373 384794548 /nfs/dbraw/zinc/79/45/48/384794548.db2.gz QFOTUNCRGGZDGE-MRVPVSSYSA-N 1 0 215.318 1.060 10 0 BDAERO C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)CC(F)F ZINC000648193562 384807908 /nfs/dbraw/zinc/80/79/08/384807908.db2.gz FAGJNHZDLOJQFV-LDYMZIIASA-N 1 0 234.290 1.536 10 0 BDAERO N[C@@H](C[NH3+])c1cc(O)ccc1Br ZINC000072201258 384814959 /nfs/dbraw/zinc/81/49/59/384814959.db2.gz SFDUBLFNCTVTAI-QMMMGPOBSA-N 1 0 231.093 1.113 10 0 BDAERO [NH3+]Cc1nc(-c2ccc(Br)o2)n[nH]1 ZINC000072236617 384843070 /nfs/dbraw/zinc/84/30/70/384843070.db2.gz WIIHJZNSASXDNE-UHFFFAOYSA-N 1 0 243.064 1.286 10 0 BDAERO c1ccc(CN2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000084238093 384851671 /nfs/dbraw/zinc/85/16/71/384851671.db2.gz IKSVZAZIOXSKBR-STQMWFEESA-N 1 0 202.301 1.480 10 0 BDAERO CC1CCN(C[C@H]2CSCC[NH2+]2)CC1 ZINC000127036860 384854393 /nfs/dbraw/zinc/85/43/93/384854393.db2.gz BAZBKWVGXLXARA-NSHDSACASA-N 1 0 214.378 1.423 10 0 BDAERO FC(F)(F)c1ccnc(OC2C[NH2+]C2)c1 ZINC000085486282 384954104 /nfs/dbraw/zinc/95/41/04/384954104.db2.gz DNEFGOQQDUKHCN-UHFFFAOYSA-N 1 0 218.178 1.451 10 0 BDAERO CC1(C)C[C@@H]([NH2+]CC2CC(O)C2)C(C)(C)O1 ZINC000086927537 384894559 /nfs/dbraw/zinc/89/45/59/384894559.db2.gz TZHMHFPYAOOEQA-VQXHTEKXSA-N 1 0 227.348 1.693 10 0 BDAERO [NH3+][C@@H]1COc2ccc(Br)cc2[C@@H]1O ZINC000084789325 384898854 /nfs/dbraw/zinc/89/88/54/384898854.db2.gz WEWKHRKAWHKZLM-APPZFPTMSA-N 1 0 244.088 1.202 10 0 BDAERO CC(C)(O)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000365804403 384920133 /nfs/dbraw/zinc/92/01/33/384920133.db2.gz FGENXXQBVCYINN-DCAQKATOSA-N 1 0 227.348 1.551 10 0 BDAERO Cc1cnc(NC[C@@H](C)N2CCOCC2)s1 ZINC000302129708 384959688 /nfs/dbraw/zinc/95/96/88/384959688.db2.gz XSGCPMAHHXFYIW-SECBINFHSA-N 1 0 241.360 1.584 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](Nc2ccncc2Cl)C1 ZINC000335581042 384935630 /nfs/dbraw/zinc/93/56/30/384935630.db2.gz MBAXLSRXZRNBMI-BDAKNGLRSA-N 1 0 225.723 1.839 10 0 BDAERO CC(C)n1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)nn1 ZINC000310293613 384943474 /nfs/dbraw/zinc/94/34/74/384943474.db2.gz LDXMRCVJAIGVTD-PWSUYJOCSA-N 1 0 238.335 1.516 10 0 BDAERO CCC[C@H](C)C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790094 384968119 /nfs/dbraw/zinc/96/81/19/384968119.db2.gz UHWJFNNKSBEBFM-NWDGAFQWSA-N 1 0 214.353 1.343 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000060820823 384977855 /nfs/dbraw/zinc/97/78/55/384977855.db2.gz FRVQOEHGGLXDHO-QWRGUYRKSA-N 1 0 230.267 1.162 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000307316400 384983001 /nfs/dbraw/zinc/98/30/01/384983001.db2.gz AVNMEPYJPKSPKN-OPRDCNLKSA-N 1 0 201.335 1.507 10 0 BDAERO CC(C)C1([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000339510341 385011579 /nfs/dbraw/zinc/01/15/79/385011579.db2.gz WPCSVWUCPXBQIZ-SSDOTTSWSA-N 1 0 211.227 1.688 10 0 BDAERO CC(C)C1([NH2+]CC(=O)NCC2CC2)CC1 ZINC000339516746 385014936 /nfs/dbraw/zinc/01/49/36/385014936.db2.gz IQJOURJQVDMCIY-UHFFFAOYSA-N 1 0 210.321 1.291 10 0 BDAERO CC[C@H](C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C)OC ZINC000310375342 385015500 /nfs/dbraw/zinc/01/55/00/385015500.db2.gz ZMNJPUYXXCQAOS-HZSPNIEDSA-N 1 0 240.391 1.970 10 0 BDAERO Cc1c[nH]c(CSCC[NH3+])c(C)c1=O ZINC000058823379 385024743 /nfs/dbraw/zinc/02/47/43/385024743.db2.gz WXOKQGTXOCMMMF-UHFFFAOYSA-N 1 0 212.318 1.184 10 0 BDAERO COC(=O)[C@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000130366244 385035915 /nfs/dbraw/zinc/03/59/15/385035915.db2.gz ZJHNMHULNHYLBJ-GXSJLCMTSA-N 1 0 237.303 1.119 10 0 BDAERO [NH3+]Cc1cnnn1-c1cccc(Cl)c1 ZINC000062263857 385109967 /nfs/dbraw/zinc/10/99/67/385109967.db2.gz JCMYJTCQGJJQPS-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cccc(C)c2)C1 ZINC000310498952 385090376 /nfs/dbraw/zinc/09/03/76/385090376.db2.gz IUIHLAZMQGTLTN-ZIAGYGMSSA-N 1 0 235.327 1.577 10 0 BDAERO [NH3+]Cc1cnnn1-c1ccc(F)c(Cl)c1 ZINC000062218697 385093927 /nfs/dbraw/zinc/09/39/27/385093927.db2.gz PSUOEYLIBVIAJU-UHFFFAOYSA-N 1 0 226.642 1.519 10 0 BDAERO CC[C@](C)(O)C[N@H+](C)Cc1cnn(C)c1 ZINC000119411710 385094151 /nfs/dbraw/zinc/09/41/51/385094151.db2.gz XFVXCXUUIMSNBT-NSHDSACASA-N 1 0 211.309 1.013 10 0 BDAERO Cn1cc(O)c(=O)cc1C[NH+]1CCCCCC1 ZINC000062392350 385144702 /nfs/dbraw/zinc/14/47/02/385144702.db2.gz YKQSOYMDSOBXFQ-UHFFFAOYSA-N 1 0 236.315 1.467 10 0 BDAERO CC[C@@H]1CN(C(=O)C2CC(C)C2)CC[C@@H]1[NH3+] ZINC000647013881 385146046 /nfs/dbraw/zinc/14/60/46/385146046.db2.gz QCNJMGZOVIKGRS-RSJDFQLWSA-N 1 0 224.348 1.618 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000408048174 385171002 /nfs/dbraw/zinc/17/10/02/385171002.db2.gz VUPPTFOFIIZCNH-PWSUYJOCSA-N 1 0 239.319 1.328 10 0 BDAERO c1ncn(CC[NH2+][C@H]2CCC23CCC3)n1 ZINC000308845591 385206907 /nfs/dbraw/zinc/20/69/07/385206907.db2.gz PFQJJUOZDRYZDG-JTQLQIEISA-N 1 0 206.293 1.200 10 0 BDAERO CC(C)(CC[NH3+])N1C(=O)c2ccccc2C1=O ZINC000259321726 385242521 /nfs/dbraw/zinc/24/25/21/385242521.db2.gz QYPXIKRSZFMBDL-UHFFFAOYSA-N 1 0 232.283 1.410 10 0 BDAERO CCc1cc(N[C@@H]2CCCNC2=O)cc[nH+]1 ZINC000307769311 385254265 /nfs/dbraw/zinc/25/42/65/385254265.db2.gz KYQOKYASMBKRPF-LLVKDONJSA-N 1 0 219.288 1.335 10 0 BDAERO CCCn1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)cn1 ZINC000116913407 385316062 /nfs/dbraw/zinc/31/60/62/385316062.db2.gz NTCGIXAJQLPAFW-WCQYABFASA-N 1 0 237.347 1.950 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+]CCN(C)Cc1ccccc1 ZINC000120429816 385323316 /nfs/dbraw/zinc/32/33/16/385323316.db2.gz WZVYAPCNJKOEHA-UKRRQHHQSA-N 1 0 248.370 1.885 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000409430989 385330654 /nfs/dbraw/zinc/33/06/54/385330654.db2.gz YBYURUFTPQWKQB-JQWIXIFHSA-N 1 0 233.315 1.482 10 0 BDAERO C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1cccs1 ZINC000644016495 385376668 /nfs/dbraw/zinc/37/66/68/385376668.db2.gz XHEPBNQWVPXDAG-WCBMZHEXSA-N 1 0 238.356 1.923 10 0 BDAERO C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)C1CCCC1 ZINC000644051924 385399126 /nfs/dbraw/zinc/39/91/26/385399126.db2.gz LVUXMIXHRDRBFX-MWLCHTKSSA-N 1 0 224.348 1.679 10 0 BDAERO c1cn2c(n1)CC[C@H]([NH2+][C@H]1CCSC1)C2 ZINC000309087129 385410072 /nfs/dbraw/zinc/41/00/72/385410072.db2.gz ZBOXERQSEZEMFF-UWVGGRQHSA-N 1 0 223.345 1.293 10 0 BDAERO CC1CC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C1 ZINC000644063340 385412391 /nfs/dbraw/zinc/41/23/91/385412391.db2.gz QHBQIIQCYDWSCY-ADPBJBESSA-N 1 0 224.348 1.618 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(C)(C)C ZINC000114474920 385416173 /nfs/dbraw/zinc/41/61/73/385416173.db2.gz ATKVGAFFPCCHNV-GHMZBOCLSA-N 1 0 214.353 1.341 10 0 BDAERO Cn1c(Cl)cnc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000281795071 385446157 /nfs/dbraw/zinc/44/61/57/385446157.db2.gz UVMBSVNZMIBNPU-MRVPVSSYSA-N 1 0 245.754 1.570 10 0 BDAERO C[C@@]1(C[NH2+]C2COC2)CCO[C@@H]1C1CC1 ZINC000309125267 385429216 /nfs/dbraw/zinc/42/92/16/385429216.db2.gz PHJBVIUWWWPBBK-NEPJUHHUSA-N 1 0 211.305 1.180 10 0 BDAERO CC[C@@H](C)N(CC[NH3+])C(=O)OC(C)(C)C ZINC000259412412 385429704 /nfs/dbraw/zinc/42/97/04/385429704.db2.gz SHZWWHXHNCAEKI-SECBINFHSA-N 1 0 216.325 1.981 10 0 BDAERO C=Cn1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cn1 ZINC000194344410 385430828 /nfs/dbraw/zinc/43/08/28/385430828.db2.gz XPTLYAROLRUGIN-JQWIXIFHSA-N 1 0 221.304 1.641 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](C)OC ZINC000182209101 385433720 /nfs/dbraw/zinc/43/37/20/385433720.db2.gz ARMUOKCFXKFVAT-NEPJUHHUSA-N 1 0 214.353 1.437 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](C)OC ZINC000182209076 385434486 /nfs/dbraw/zinc/43/44/86/385434486.db2.gz ARMUOKCFXKFVAT-VXGBXAGGSA-N 1 0 214.353 1.437 10 0 BDAERO CCC[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000590517087 385487970 /nfs/dbraw/zinc/48/79/70/385487970.db2.gz RXGCEAUCRXFYMV-GHMZBOCLSA-N 1 0 227.352 1.521 10 0 BDAERO C[C@H]1C[C@@]2(CC[N@@H+]1C)NCCCS2 ZINC000156984474 385479720 /nfs/dbraw/zinc/47/97/20/385479720.db2.gz JDOPQBNBZPLYHI-UWVGGRQHSA-N 1 0 200.351 1.523 10 0 BDAERO CCN[C@@]1(C(F)F)CC[N@H+](C)[C@H](C)C1 ZINC000157019877 385480485 /nfs/dbraw/zinc/48/04/85/385480485.db2.gz UASNGRYKYFOCBG-SCZZXKLOSA-N 1 0 206.280 1.714 10 0 BDAERO N[C@@]1(C(F)(F)F)CC[N@@H+]2CCC[C@@H]2C1 ZINC000157014924 385480801 /nfs/dbraw/zinc/48/08/01/385480801.db2.gz UASFPHYOTOWFDI-SFYZADRCSA-N 1 0 208.227 1.504 10 0 BDAERO N[C@]1(C(F)(F)F)CC[N@@H+]2CCC[C@H]2C1 ZINC000157015317 385481886 /nfs/dbraw/zinc/48/18/86/385481886.db2.gz UASFPHYOTOWFDI-JGVFFNPUSA-N 1 0 208.227 1.504 10 0 BDAERO Cc1noc(C)c1CC[NH2+][C@H]1CCO[C@H]1C ZINC000121072272 385463733 /nfs/dbraw/zinc/46/37/33/385463733.db2.gz PQQLZFCDCRHMKF-JQWIXIFHSA-N 1 0 224.304 1.601 10 0 BDAERO CSCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171504665 385491402 /nfs/dbraw/zinc/49/14/02/385491402.db2.gz KHWVWLKWOJFBIP-LLVKDONJSA-N 1 0 225.361 1.920 10 0 BDAERO c1nnsc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000309249098 385497815 /nfs/dbraw/zinc/49/78/15/385497815.db2.gz DIGCPKHKVTYJMW-JTQLQIEISA-N 1 0 238.360 1.208 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccsc2)C1 ZINC000157571964 385510047 /nfs/dbraw/zinc/51/00/47/385510047.db2.gz YRHUQQXRCBTHIL-SNVBAGLBSA-N 1 0 239.344 1.916 10 0 BDAERO Cc1cn[nH]c1C[NH2+]C[C@H](O)C(C)(C)C ZINC000336727581 385514412 /nfs/dbraw/zinc/51/44/12/385514412.db2.gz HKCGPZISCULRCH-JTQLQIEISA-N 1 0 211.309 1.215 10 0 BDAERO Cc1cc(C)nc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000171939242 385535928 /nfs/dbraw/zinc/53/59/28/385535928.db2.gz AQALBVMXPMNTDZ-GFCCVEGCSA-N 1 0 232.331 1.378 10 0 BDAERO C([NH2+]C1COC1)[C@@H]1COC2(CCCCC2)O1 ZINC000309341511 385540242 /nfs/dbraw/zinc/54/02/42/385540242.db2.gz KKISLDQOQVAYGD-LLVKDONJSA-N 1 0 227.304 1.051 10 0 BDAERO Cc1cc(C)nc(N2CCC(C)([NH3+])CC2)n1 ZINC000643028782 385524575 /nfs/dbraw/zinc/52/45/75/385524575.db2.gz VFROLPCAFGRDAP-UHFFFAOYSA-N 1 0 220.320 1.411 10 0 BDAERO c1cn([C@@H]2COC[C@@H]2[NH2+]C2CCCCC2)nn1 ZINC000408035032 385552412 /nfs/dbraw/zinc/55/24/12/385552412.db2.gz JBBNIQCWDNRMID-NWDGAFQWSA-N 1 0 236.319 1.140 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CC1(C)C ZINC000309373053 385555253 /nfs/dbraw/zinc/55/52/53/385555253.db2.gz CGLMQAXKVMUPGO-QJPTWQEYSA-N 1 0 226.364 1.341 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1nc2ccccc2s1 ZINC000054076170 385594504 /nfs/dbraw/zinc/59/45/04/385594504.db2.gz ZTCKJLGYDMJLOJ-MRVPVSSYSA-N 1 0 249.339 1.520 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000054076168 385594633 /nfs/dbraw/zinc/59/46/33/385594633.db2.gz QILUDXBSGUAHSD-MRVPVSSYSA-N 1 0 217.272 1.714 10 0 BDAERO Nc1ncccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250002649 385596057 /nfs/dbraw/zinc/59/60/57/385596057.db2.gz DXVNGWUBJKEJAG-ZDUSSCGKSA-N 1 0 246.358 1.334 10 0 BDAERO COC(=O)[C@H]1CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000250367607 385600803 /nfs/dbraw/zinc/60/08/03/385600803.db2.gz LKBRHDIUGOSNLJ-QWHCGFSZSA-N 1 0 245.322 1.821 10 0 BDAERO O=C1CCCCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000251084806 385616738 /nfs/dbraw/zinc/61/67/38/385616738.db2.gz HOETYDLHHVSXHM-NEPJUHHUSA-N 1 0 225.332 1.593 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1OC ZINC000055421388 385641799 /nfs/dbraw/zinc/64/17/99/385641799.db2.gz LCNQAFTVHDHCFZ-MRVPVSSYSA-N 1 0 208.261 1.242 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000055421225 385643009 /nfs/dbraw/zinc/64/30/09/385643009.db2.gz RWUSCXDJCLERHC-MRVPVSSYSA-N 1 0 220.272 1.436 10 0 BDAERO CCn1ccnc1Cn1cnc(C)c(C)c1=O ZINC000188227075 385671034 /nfs/dbraw/zinc/67/10/34/385671034.db2.gz PVURNUZCMWGIND-UHFFFAOYSA-N 1 0 232.287 1.125 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H]1c1c(Br)cnn1C ZINC000306963949 385730769 /nfs/dbraw/zinc/73/07/69/385730769.db2.gz IIWARMIFNOQKAT-BQBZGAKWSA-N 1 0 244.136 1.506 10 0 BDAERO CCOC(=O)CCCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183136842 385737035 /nfs/dbraw/zinc/73/70/35/385737035.db2.gz QGGIFNBIUUEGKS-NWDGAFQWSA-N 1 0 243.347 1.877 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2cncnc2)C[C@H](C)O1 ZINC000282204986 385740909 /nfs/dbraw/zinc/74/09/09/385740909.db2.gz LRBATTNCPJZBGY-QWRGUYRKSA-N 1 0 235.331 1.770 10 0 BDAERO CSC[C@@H](O)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000336736667 385742898 /nfs/dbraw/zinc/74/28/98/385742898.db2.gz POGILUKCPHLKKD-CBAPKCEASA-N 1 0 246.401 1.826 10 0 BDAERO C[C@@H](C[NH3+])Nc1ccncc1Br ZINC000159902576 385746751 /nfs/dbraw/zinc/74/67/51/385746751.db2.gz YTWCSPYCAARTBG-LURJTMIESA-N 1 0 230.109 1.603 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)C1CC1 ZINC000122706532 385748947 /nfs/dbraw/zinc/74/89/47/385748947.db2.gz LTJCGRISOMYRFJ-WCBMZHEXSA-N 1 0 206.293 1.501 10 0 BDAERO CC(C)N1CC[NH2+]C[C@H]1c1ccccc1CCO ZINC000616636592 385831699 /nfs/dbraw/zinc/83/16/99/385831699.db2.gz FWKILUAMMMRCRS-HNNXBMFYSA-N 1 0 248.370 1.576 10 0 BDAERO C[C@@H](O)CN1CC[N@H+](CCC(C)(C)C)C[C@H]1C ZINC000112697809 385843653 /nfs/dbraw/zinc/84/36/53/385843653.db2.gz RUVFLNGGNGKUPL-CHWSQXEVSA-N 1 0 242.407 1.810 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]CC[C@H]1c1ccccc1F ZINC000215990626 385855602 /nfs/dbraw/zinc/85/56/02/385855602.db2.gz WIFXOHJUEUAOFL-GXSJLCMTSA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)[C@H]1CC[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000215984694 385855843 /nfs/dbraw/zinc/85/58/43/385855843.db2.gz BKAICSKZBUTLMM-QWHCGFSZSA-N 1 0 233.311 1.861 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC000336706761 385791828 /nfs/dbraw/zinc/79/18/28/385791828.db2.gz RNMVMZSGTFYFBM-WDEREUQCSA-N 1 0 215.337 1.410 10 0 BDAERO Cc1ccnc(N[C@H](C)CCCC[NH3+])n1 ZINC000336708959 385796232 /nfs/dbraw/zinc/79/62/32/385796232.db2.gz SORNIFJMINIYSB-SECBINFHSA-N 1 0 208.309 1.714 10 0 BDAERO FC(F)(F)[C@H]1CCN([C@H]2CC[NH2+]C2)C1 ZINC000307128343 385927260 /nfs/dbraw/zinc/92/72/60/385927260.db2.gz DYFHFDSXOGEIAL-YUMQZZPRSA-N 1 0 208.227 1.233 10 0 BDAERO CC(C)n1ccnc1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000335789516 385864778 /nfs/dbraw/zinc/86/47/78/385864778.db2.gz LEACGRHTZYZQEK-TXEJJXNPSA-N 1 0 236.363 1.646 10 0 BDAERO CC(C)c1nsc(N2CC[C@@H]([NH3+])[C@@H]2C)n1 ZINC000308827865 385877622 /nfs/dbraw/zinc/87/76/22/385877622.db2.gz IKHLFFGJPDWLMG-JGVFFNPUSA-N 1 0 226.349 1.587 10 0 BDAERO [NH3+]CC1(c2ncncc2Br)CC1 ZINC000307671725 385974038 /nfs/dbraw/zinc/97/40/38/385974038.db2.gz UVJVYRQQYJWYJE-UHFFFAOYSA-N 1 0 228.093 1.229 10 0 BDAERO C[C@H](O)CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000336727690 386001108 /nfs/dbraw/zinc/00/11/08/386001108.db2.gz WBCLTXKTABMHQN-BFHYXJOUSA-N 1 0 241.375 1.774 10 0 BDAERO COc1ncc(C[NH2+][C@H]2CCC[C@@H](O)C2)s1 ZINC000309398649 386006708 /nfs/dbraw/zinc/00/67/08/386006708.db2.gz UAKRYVLEZSAUNZ-DTWKUNHWSA-N 1 0 242.344 1.545 10 0 BDAERO COC(=O)[C@]1(c2ccc(C)cc2)CC[NH2+]C1 ZINC000261260033 386017999 /nfs/dbraw/zinc/01/79/99/386017999.db2.gz DZYXVONDWNODKG-CYBMUJFWSA-N 1 0 219.284 1.399 10 0 BDAERO CO[C@@H]1C[NH2+]CC[C@H]1Cc1ccncc1 ZINC000222941579 386070066 /nfs/dbraw/zinc/07/00/66/386070066.db2.gz PTPZLASYQPKBOW-NWDGAFQWSA-N 1 0 206.289 1.249 10 0 BDAERO C[C@H]1SCC[C@]1([NH3+])c1cnsc1 ZINC000575567460 386090041 /nfs/dbraw/zinc/09/00/41/386090041.db2.gz JVNKOUPQSKOIQL-HTRCEHHLSA-N 1 0 200.332 1.823 10 0 BDAERO Cc1nc(Cl)cc(N[C@H]2CC[N@@H+](C)C2)n1 ZINC000052836643 386095211 /nfs/dbraw/zinc/09/52/11/386095211.db2.gz VSMWUQXGLBIHGJ-QMMMGPOBSA-N 1 0 226.711 1.554 10 0 BDAERO CC(C)Oc1cncc(N2CC[C@H]([NH3+])[C@H]2C)n1 ZINC000310178123 386156224 /nfs/dbraw/zinc/15/62/24/386156224.db2.gz MSPCLOMWJKHHGC-ZJUUUORDSA-N 1 0 236.319 1.190 10 0 BDAERO Cc1nc(C)c(-c2cc(C[NH3+])nc(C)n2)s1 ZINC000075985115 386156940 /nfs/dbraw/zinc/15/69/40/386156940.db2.gz VRNQWDOZUQOUQV-UHFFFAOYSA-N 1 0 234.328 1.984 10 0 BDAERO Cc1cn[nH]c1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000284059015 386162164 /nfs/dbraw/zinc/16/21/64/386162164.db2.gz NYAUEWNSPYTZGH-MWLCHTKSSA-N 1 0 209.293 1.375 10 0 BDAERO [NH3+]C1(Cc2ccc(Br)cn2)COC1 ZINC000575580597 386224648 /nfs/dbraw/zinc/22/46/48/386224648.db2.gz FHEQJDQPDNOLAT-UHFFFAOYSA-N 1 0 243.104 1.114 10 0 BDAERO CCCc1noc(CN(C)CC2CC(O)C2)n1 ZINC000091490838 386299937 /nfs/dbraw/zinc/29/99/37/386299937.db2.gz BTPYNQOUAMBPRE-UHFFFAOYSA-N 1 0 239.319 1.225 10 0 BDAERO N[C@H](C[NH3+])c1ccsc1Br ZINC000575583471 386261918 /nfs/dbraw/zinc/26/19/18/386261918.db2.gz LWMGBTGWWDHZTN-RXMQYKEDSA-N 1 0 221.123 1.469 10 0 BDAERO [NH3+][C@@H](Cc1cccs1)c1cncnc1 ZINC000052900385 386342188 /nfs/dbraw/zinc/34/21/88/386342188.db2.gz QSDLLERMUQHOAL-JTQLQIEISA-N 1 0 205.286 1.781 10 0 BDAERO Cc1noc(C)c1CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000336676821 386327894 /nfs/dbraw/zinc/32/78/94/386327894.db2.gz AQKNRQBZPMIAQS-LBPRGKRZSA-N 1 0 238.331 1.538 10 0 BDAERO C[C@@H]1C[C@H](C)N(C(=O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000306873291 386328473 /nfs/dbraw/zinc/32/84/73/386328473.db2.gz XCCUCGHHVRPRNX-GJMOJQLCSA-N 1 0 238.253 1.381 10 0 BDAERO CSC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000188259882 386333915 /nfs/dbraw/zinc/33/39/15/386333915.db2.gz PYZPOTVJFOPOCB-VHSXEESVSA-N 1 0 229.345 1.963 10 0 BDAERO COC(C)(C)CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000336694525 386389815 /nfs/dbraw/zinc/38/98/15/386389815.db2.gz LMHOZIDBIOWNPA-QWHCGFSZSA-N 1 0 240.391 1.970 10 0 BDAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cccnc1 ZINC000399272439 386475073 /nfs/dbraw/zinc/47/50/73/386475073.db2.gz UTTRKEQTHBYCHQ-JQWIXIFHSA-N 1 0 206.289 1.427 10 0 BDAERO Clc1nccc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000073734637 386486130 /nfs/dbraw/zinc/48/61/30/386486130.db2.gz PEWVJHRCERXKAV-MRVPVSSYSA-N 1 0 226.711 1.542 10 0 BDAERO CCc1c(C[NH3+])nnn1-c1ccc(F)cc1 ZINC000062238532 386506116 /nfs/dbraw/zinc/50/61/16/386506116.db2.gz MCJVPXOAIYSYPC-UHFFFAOYSA-N 1 0 220.251 1.428 10 0 BDAERO CC(C)(C[NH3+])C(=O)N[C@H]1CCc2ccccc21 ZINC000122954297 386521541 /nfs/dbraw/zinc/52/15/41/386521541.db2.gz VGJZBLBLEXLANV-LBPRGKRZSA-N 1 0 232.327 1.775 10 0 BDAERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)C(N)=O ZINC000061676872 386531619 /nfs/dbraw/zinc/53/16/19/386531619.db2.gz DOYYVQNTRCRFNW-IUCAKERBSA-N 1 0 210.277 1.503 10 0 BDAERO COCC[C@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336755853 386541159 /nfs/dbraw/zinc/54/11/59/386541159.db2.gz GPPWDAQKWUIZBI-RYUDHWBXSA-N 1 0 227.348 1.818 10 0 BDAERO Clc1ccc(OC[C@@H]2CC[NH2+]C2)nc1 ZINC000051888740 386573212 /nfs/dbraw/zinc/57/32/12/386573212.db2.gz LBTPSOVFZSLBEJ-MRVPVSSYSA-N 1 0 212.680 1.723 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCc1ccccc1O ZINC000335505780 386637043 /nfs/dbraw/zinc/63/70/43/386637043.db2.gz RYBXEQDXGFMZPZ-CMPLNLGQSA-N 1 0 248.326 1.273 10 0 BDAERO COC(C)(C)CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336759112 386649534 /nfs/dbraw/zinc/64/95/34/386649534.db2.gz IQKYWVJNHYQMDQ-NXEZZACHSA-N 1 0 228.336 1.058 10 0 BDAERO Nc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)ccn1 ZINC000246413052 386654007 /nfs/dbraw/zinc/65/40/07/386654007.db2.gz FKMGETJFAKNAER-ZDUSSCGKSA-N 1 0 246.358 1.334 10 0 BDAERO c1ncn(CC[NH2+][C@H]2CCc3ccccc32)n1 ZINC000268811999 386668159 /nfs/dbraw/zinc/66/81/59/386668159.db2.gz JHDCWBNYEFKLKX-ZDUSSCGKSA-N 1 0 228.299 1.555 10 0 BDAERO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1cccs1 ZINC000647907647 386683311 /nfs/dbraw/zinc/68/33/11/386683311.db2.gz UAWBEMDYYDVCCW-XHNCKOQMSA-N 1 0 224.329 1.663 10 0 BDAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336743926 386774826 /nfs/dbraw/zinc/77/48/26/386774826.db2.gz PQTZXXPLTLQWAJ-SCVCMEIPSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@H](CCC1CC1)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000336743924 386775009 /nfs/dbraw/zinc/77/50/09/386775009.db2.gz PQTZXXPLTLQWAJ-FOGDFJRCSA-N 1 0 224.348 1.822 10 0 BDAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCNC2=O)c(C)c1 ZINC000269311280 386777241 /nfs/dbraw/zinc/77/72/41/386777241.db2.gz WPOQQWSIYOVJBA-WCQYABFASA-N 1 0 232.327 1.843 10 0 BDAERO Cc1cnc(N2CC[C@H](C)[C@H](C[NH3+])C2)nc1C ZINC000395304478 386807822 /nfs/dbraw/zinc/80/78/22/386807822.db2.gz WSCZGVVSDWRSID-JOYOIKCWSA-N 1 0 234.347 1.515 10 0 BDAERO Cc1cnc(NC[C@@H]([NH3+])C(C)C)nc1C ZINC000395312924 386811669 /nfs/dbraw/zinc/81/16/69/386811669.db2.gz HTKFQJPORHXYOC-SNVBAGLBSA-N 1 0 208.309 1.489 10 0 BDAERO CC(C)n1cc(C[NH2+]C[C@H](O)C(C)(C)C)nn1 ZINC000324302048 386843197 /nfs/dbraw/zinc/84/31/97/386843197.db2.gz WHWRRBWLADRIPC-NSHDSACASA-N 1 0 240.351 1.356 10 0 BDAERO c1cn([C@@H]2CC[N@@H+](Cc3cccnc3)C2)nn1 ZINC000585378883 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387552690 /nfs/dbraw/zinc/55/26/90/387552690.db2.gz RRWMZZKGKANTED-OUAUKWLOSA-N 1 0 214.353 1.767 10 0 BDAERO C[C@@]1(C[C@@H]2CCOC2)[NH2+]CCCS1 ZINC000575534957 387574974 /nfs/dbraw/zinc/57/49/74/387574974.db2.gz YYYIEIPGRYGYAV-VHSXEESVSA-N 1 0 201.335 1.856 10 0 BDAERO C[C@@H]1SCCC[C@H]1[NH2+]C1CSC1 ZINC000575545082 387628113 /nfs/dbraw/zinc/62/81/13/387628113.db2.gz IBOIQEIMHQHDNR-IONNQARKSA-N 1 0 203.376 1.976 10 0 BDAERO CCc1ccc([C@@H]2CCCCN2CC(N)=O)o1 ZINC000124826103 387634008 /nfs/dbraw/zinc/63/40/08/387634008.db2.gz KGCYIJJUMCLCEZ-NSHDSACASA-N 1 0 236.315 1.854 10 0 BDAERO [NH3+]CCc1ccc(I)cn1 ZINC000575548463 387645590 /nfs/dbraw/zinc/64/55/90/387645590.db2.gz DRRWBMNGSXJPNY-UHFFFAOYSA-N 1 0 248.067 1.187 10 0 BDAERO CC[C@H]1CN(C2CSC2)[C@@H](C)C[NH2+]1 ZINC000575549306 387647294 /nfs/dbraw/zinc/64/72/94/387647294.db2.gz KLNSSMGSSFZFFT-IUCAKERBSA-N 1 0 200.351 1.174 10 0 BDAERO O[C@@H](c1cccnc1Br)C1C[NH2+]C1 ZINC000575551434 387650406 /nfs/dbraw/zinc/65/04/06/387650406.db2.gz YWUJBKSUWAUOTD-MRVPVSSYSA-N 1 0 243.104 1.097 10 0 BDAERO CO[C@@H]1CCC[C@@]2(C1)[NH2+]C[C@H](C)S2 ZINC000300213716 387652200 /nfs/dbraw/zinc/65/22/00/387652200.db2.gz AYFDKIPCOCICOE-IVZWLZJFSA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@@H]1[NH2+]CC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000575550553 387653579 /nfs/dbraw/zinc/65/35/79/387653579.db2.gz UJXHYUYLGWOGPC-RYUDHWBXSA-N 1 0 244.294 1.423 10 0 BDAERO [NH3+]C1(Cc2ccc(Cl)cn2)CSC1 ZINC000575553682 387657173 /nfs/dbraw/zinc/65/71/73/387657173.db2.gz DPODACVAJDSSCP-UHFFFAOYSA-N 1 0 214.721 1.722 10 0 BDAERO COc1c(C[NH2+]CC2CC=CC2)c(C)nn1C ZINC000527750185 387693205 /nfs/dbraw/zinc/69/32/05/387693205.db2.gz GJOFMMLNUHGTLX-UHFFFAOYSA-N 1 0 235.331 1.793 10 0 BDAERO [NH3+][C@]1(C[C@@H]2CCCOC2)CCSC1 ZINC000575558227 387697079 /nfs/dbraw/zinc/69/70/79/387697079.db2.gz WVWOYRVWBHAMMK-UWVGGRQHSA-N 1 0 201.335 1.638 10 0 BDAERO C[C@@H]1CSC[C@]1([NH3+])C1CCOCC1 ZINC000575561052 387697832 /nfs/dbraw/zinc/69/78/32/387697832.db2.gz MKXATBQGAUOFFU-PSASIEDQSA-N 1 0 201.335 1.493 10 0 BDAERO C[C@H]1CSC[C@@]1([NH3+])Cc1cnsn1 ZINC000575561607 387706263 /nfs/dbraw/zinc/70/62/63/387706263.db2.gz QLUWWSYVOHTSPU-XPUUQOCRSA-N 1 0 215.347 1.161 10 0 BDAERO C[C@]1(O)CCC[C@]1(C)[NH2+]C1CSC1 ZINC000575563799 387706270 /nfs/dbraw/zinc/70/62/70/387706270.db2.gz VGIBYVAYIOOTMV-UWVGGRQHSA-N 1 0 201.335 1.385 10 0 BDAERO CCCn1cc(C[NH2+][C@@H]2CCO[C@@H]2C)cn1 ZINC000127314363 387711264 /nfs/dbraw/zinc/71/12/64/387711264.db2.gz YZUOCUOIIFQERS-ZYHUDNBSSA-N 1 0 223.320 1.560 10 0 BDAERO C[C@H]1C[C@]([NH3+])(Cc2ccns2)CS1 ZINC000575573050 387755649 /nfs/dbraw/zinc/75/56/49/387755649.db2.gz SGLMFPZWGYDCSD-CBAPKCEASA-N 1 0 214.359 1.909 10 0 BDAERO Cc1cc(C)cc(-n2cc(CC[NH3+])cn2)c1 ZINC000071519388 177889538 /nfs/dbraw/zinc/88/95/38/177889538.db2.gz OLVPZLYECRMOCN-UHFFFAOYSA-N 1 0 215.300 1.990 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(C)C ZINC000129445781 387770752 /nfs/dbraw/zinc/77/07/52/387770752.db2.gz JBHXVYOHSYEBFS-QWRGUYRKSA-N 1 0 222.336 1.617 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000442865012 387853477 /nfs/dbraw/zinc/85/34/77/387853477.db2.gz HIQCMJUKRCJPIP-SRVKXCTJSA-N 1 0 236.359 1.966 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2cc(C)nn2C)c1 ZINC000235948173 387868375 /nfs/dbraw/zinc/86/83/75/387868375.db2.gz FBKIPGTXFOTTMY-UHFFFAOYSA-N 1 0 233.319 1.023 10 0 BDAERO Cc1occc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000320959178 387816718 /nfs/dbraw/zinc/81/67/18/387816718.db2.gz FCKITTIVXNJBOT-GFCCVEGCSA-N 1 0 224.304 1.008 10 0 BDAERO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@@H](C)O)C12CCC2 ZINC000309526138 387818300 /nfs/dbraw/zinc/81/83/00/387818300.db2.gz CPYVOWWSIVTQFP-DDHJBXDOSA-N 1 0 227.348 1.551 10 0 BDAERO Cc1cc(C)c(OC[C@H]([NH3+])CO)c(C)c1 ZINC000071511957 177869301 /nfs/dbraw/zinc/86/93/01/177869301.db2.gz QHLWJONWEIFXJV-LLVKDONJSA-N 1 0 209.289 1.310 10 0 BDAERO Cn1cc([C@@H]2CC[N@@H+]([C@H]3CCCC[C@@H]3O)C2)cn1 ZINC000245623009 387967595 /nfs/dbraw/zinc/96/75/95/387967595.db2.gz OGCWZSOSNZZEQQ-XBFCOCLRSA-N 1 0 249.358 1.513 10 0 BDAERO Cc1cnc(N2CC[N@@H+]3CCC[C@H]3C2)nc1C ZINC000245790619 387984755 /nfs/dbraw/zinc/98/47/55/387984755.db2.gz NRTNQWMSCMUPOE-LBPRGKRZSA-N 1 0 232.331 1.378 10 0 BDAERO CC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000245997532 388000878 /nfs/dbraw/zinc/00/08/78/388000878.db2.gz JHYXEAWAHCUMAU-ZYHUDNBSSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCO[C@H]1C ZINC000245940279 387996374 /nfs/dbraw/zinc/99/63/74/387996374.db2.gz MHGYYWKLRYONNM-XQQFMLRXSA-N 1 0 228.380 1.730 10 0 BDAERO CC(C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246264393 388025242 /nfs/dbraw/zinc/02/52/42/388025242.db2.gz RFPBVZHETMWIHH-NWDGAFQWSA-N 1 0 241.379 1.670 10 0 BDAERO O=C(C1C[NH2+]C1)N1CCC[C@@H]1c1cccs1 ZINC000084409825 388077496 /nfs/dbraw/zinc/07/74/96/388077496.db2.gz WOJIHGVAYLISHY-SNVBAGLBSA-N 1 0 236.340 1.631 10 0 BDAERO CC[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)C[C@H](C)O1 ZINC000645965085 388094322 /nfs/dbraw/zinc/09/43/22/388094322.db2.gz XVKKOPOSYOMBTQ-TUAOUCFPSA-N 1 0 242.363 1.386 10 0 BDAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ccc(F)c(F)c1 ZINC000071519242 388097452 /nfs/dbraw/zinc/09/74/52/388097452.db2.gz QGCJHMBSJAFJOP-QWRGUYRKSA-N 1 0 215.243 1.982 10 0 BDAERO CCC[N@@H+](Cc1nnc(CC)n1C)CC1CC1 ZINC000195429626 388163151 /nfs/dbraw/zinc/16/31/51/388163151.db2.gz UGHWFMGUXKABFU-UHFFFAOYSA-N 1 0 236.363 2.000 10 0 BDAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)Cn1cccn1 ZINC000646092060 388140526 /nfs/dbraw/zinc/14/05/26/388140526.db2.gz KRFYJGIBWMWBLX-UMSGYPCISA-N 1 0 235.331 1.022 10 0 BDAERO Cc1sc(=O)n(C[C@H]2CCC[NH2+]2)c1C ZINC000070915234 388257923 /nfs/dbraw/zinc/25/79/23/388257923.db2.gz KWHOWIVZGBWAOE-SECBINFHSA-N 1 0 212.318 1.279 10 0 BDAERO Cc1ncc(CN2CC[C@H]([NH3+])[C@H]2C)s1 ZINC000261528822 135154302 /nfs/dbraw/zinc/15/43/02/135154302.db2.gz OGSBSQYWQJWFBE-XCBNKYQSSA-N 1 0 211.334 1.373 10 0 BDAERO Cl/C=C/C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000236015098 388377197 /nfs/dbraw/zinc/37/71/97/388377197.db2.gz JHWNPDDSHXSOKJ-UDCXPUBYSA-N 1 0 201.697 1.896 10 0 BDAERO CC1(C)[C@H]([NH2+][C@H]2C[C@@H](CO)C2)[C@@H]2CCO[C@@H]21 ZINC000631669119 388402719 /nfs/dbraw/zinc/40/27/19/388402719.db2.gz CYSDEIBIROWNEK-MJDLHHQISA-N 1 0 225.332 1.160 10 0 BDAERO Cc1ccc(C[C@H](O)C[NH3+])cc1Br ZINC000071558631 388444758 /nfs/dbraw/zinc/44/47/58/388444758.db2.gz ABRKMNROGOIWOM-VIFPVBQESA-N 1 0 244.132 1.620 10 0 BDAERO Cc1cc(C[N@H+]2CCC[C@@H](O)[C@H]2C)n(C)n1 ZINC000335598113 388451864 /nfs/dbraw/zinc/45/18/64/388451864.db2.gz TXXPROJKLAKAGS-ZYHUDNBSSA-N 1 0 223.320 1.074 10 0 BDAERO [NH3+]C[C@H]1CC[C@@H](N=c2[nH]c3ccccc3[nH]2)C1 ZINC000335578713 388452062 /nfs/dbraw/zinc/45/20/62/388452062.db2.gz GCXZCVOTFOEJEK-VHSXEESVSA-N 1 0 230.315 1.524 10 0 BDAERO Cc1cc(C[N@H+]2CCC[C@H](O)[C@H]2C)n(C)n1 ZINC000335598106 388452183 /nfs/dbraw/zinc/45/21/83/388452183.db2.gz TXXPROJKLAKAGS-PWSUYJOCSA-N 1 0 223.320 1.074 10 0 BDAERO Cc1c(C[NH2+]C2(CN(C)C)CCC2)cnn1C ZINC000337241107 388472168 /nfs/dbraw/zinc/47/21/68/388472168.db2.gz FNLVGTCRYKADMK-UHFFFAOYSA-N 1 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BDAERO CC[N@@H+]1CC[C@H](Nc2nc(C)ns2)C1 ZINC000307276685 388422397 /nfs/dbraw/zinc/42/23/97/388422397.db2.gz QSRDWNKRIXWNLF-QMMMGPOBSA-N 1 0 212.322 1.353 10 0 BDAERO COC1(CC[NH2+][C@@H]2CCC(=O)N[C@@H]2C)CCC1 ZINC000339154703 388479919 /nfs/dbraw/zinc/47/99/19/388479919.db2.gz BVEXXVPNHBBBQP-GHMZBOCLSA-N 1 0 240.347 1.202 10 0 BDAERO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000393481042 388431433 /nfs/dbraw/zinc/43/14/33/388431433.db2.gz VBECSFHULZNLKD-VXGBXAGGSA-N 1 0 228.380 1.515 10 0 BDAERO [NH3+][C@@H]1CCN(c2cc(-c3cccc(F)c3)[nH]n2)C1 ZINC000070460241 388437456 /nfs/dbraw/zinc/43/74/56/388437456.db2.gz ZLZXAADUBVBPAQ-LLVKDONJSA-N 1 0 246.289 1.753 10 0 BDAERO C[NH2+][C@@H](C(N)=O)c1ccc(Br)s1 ZINC000041678950 388439428 /nfs/dbraw/zinc/43/94/28/388439428.db2.gz OGSFDVIETCUAHD-ZCFIWIBFSA-N 1 0 249.133 1.256 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000378682636 388482867 /nfs/dbraw/zinc/48/28/67/388482867.db2.gz YBYKFYBUIFBXLV-HWUMTFDVSA-N 1 0 208.305 1.042 10 0 BDAERO CCN(C)C(=O)CC[NH2+]C1(C(C)C)CC1 ZINC000339507315 388483880 /nfs/dbraw/zinc/48/38/80/388483880.db2.gz MAGSMDYTDSMLMI-UHFFFAOYSA-N 1 0 212.337 1.633 10 0 BDAERO CCC[C@H](C[N@@H+]1CCN2CCCC[C@@H]2C1)OC ZINC000378714627 388484764 /nfs/dbraw/zinc/48/47/64/388484764.db2.gz XNWFTBPDKKTJOB-ZIAGYGMSSA-N 1 0 240.391 1.972 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339817192 388487224 /nfs/dbraw/zinc/48/72/24/388487224.db2.gz GIHLPTOMIDWEEE-STQMWFEESA-N 1 0 229.364 1.894 10 0 BDAERO C[C@H](CCO)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000397781587 388499002 /nfs/dbraw/zinc/49/90/02/388499002.db2.gz OXFMQEMKUSHTHX-UMSGYPCISA-N 1 0 241.375 1.798 10 0 BDAERO Clc1cnccc1OC1CC[NH2+]CC1 ZINC000086840381 256800137 /nfs/dbraw/zinc/80/01/37/256800137.db2.gz LZBZLWHQDDEECY-UHFFFAOYSA-N 1 0 212.680 1.866 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000344112632 388504768 /nfs/dbraw/zinc/50/47/68/388504768.db2.gz LUTBSCLSYITYRL-GJZGRUSLSA-N 1 0 249.354 1.885 10 0 BDAERO CN(C)C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000397874615 388507991 /nfs/dbraw/zinc/50/79/91/388507991.db2.gz LFUGYGLNFWVNHE-IJLUTSLNSA-N 1 0 238.375 1.484 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+]Cc2conc2C)C1 ZINC000378851043 388523534 /nfs/dbraw/zinc/52/35/34/388523534.db2.gz FMVYJYVXCYWJSW-JOYOIKCWSA-N 1 0 223.320 1.413 10 0 BDAERO CCn1cc(C[N@H+](C)C[C@@](C)(O)CC)cn1 ZINC000548404664 388532705 /nfs/dbraw/zinc/53/27/05/388532705.db2.gz HWBBAXNVHGVKES-LBPRGKRZSA-N 1 0 225.336 1.496 10 0 BDAERO CN([C@@H]1CCSC1)[C@@H]1CCCC[NH2+]C1 ZINC000054135013 388593220 /nfs/dbraw/zinc/59/32/20/388593220.db2.gz AHQMHUGLLHHXGT-GHMZBOCLSA-N 1 0 214.378 1.566 10 0 BDAERO CC(C)[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000300924330 388611825 /nfs/dbraw/zinc/61/18/25/388611825.db2.gz UVHJBCKQZWVJEM-VHSXEESVSA-N 1 0 203.351 1.441 10 0 BDAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCF ZINC000245968921 388612120 /nfs/dbraw/zinc/61/21/20/388612120.db2.gz FJWMIMJQAGWVAT-RYUDHWBXSA-N 1 0 214.328 1.905 10 0 BDAERO C[C@H]([NH2+][C@H]1CCc2nccn2C1)C1CC1 ZINC000364374070 388563900 /nfs/dbraw/zinc/56/39/00/388563900.db2.gz IYJXVTFYZMNGJV-ONGXEEELSA-N 1 0 205.305 1.586 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)c2nccn21 ZINC000379069704 388581415 /nfs/dbraw/zinc/58/14/15/388581415.db2.gz YWWGOJXLIGSHOH-KXNHARMFSA-N 1 0 235.331 1.782 10 0 BDAERO CCC1(CC)C[N@H+](CC(C)(C)O)CC[S@]1=O ZINC000185223851 388585834 /nfs/dbraw/zinc/58/58/34/388585834.db2.gz UYFQYODJWLORPV-MRXNPFEDSA-N 1 0 247.404 1.380 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@H](C)COC)CCN1CCOC ZINC000247498595 388665335 /nfs/dbraw/zinc/66/53/35/388665335.db2.gz LMBIMUPJMXFZHT-CHWSQXEVSA-N 1 0 244.379 1.064 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](C)OC ZINC000248405553 388679149 /nfs/dbraw/zinc/67/91/49/388679149.db2.gz ARMUOKCFXKFVAT-NWDGAFQWSA-N 1 0 214.353 1.437 10 0 BDAERO [NH3+][C@H](CC(F)F)c1cc(O)cc(O)c1 ZINC000575437720 388621392 /nfs/dbraw/zinc/62/13/92/388621392.db2.gz QCNGSPASKBETAB-MRVPVSSYSA-N 1 0 203.188 1.753 10 0 BDAERO COC[C@@H](C)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000249937042 388735450 /nfs/dbraw/zinc/73/54/50/388735450.db2.gz SIHVTQLSQQCBLT-NWDGAFQWSA-N 1 0 238.335 1.198 10 0 BDAERO CC1(C)[C@@H]([NH2+][C@H]2CCOC2)[C@@H]2CCO[C@@H]21 ZINC000227400800 388750278 /nfs/dbraw/zinc/75/02/78/388750278.db2.gz MIFWBDDCZSQVQJ-NAKRPEOUSA-N 1 0 211.305 1.178 10 0 BDAERO CCC[C@H](C)[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000249271369 388714356 /nfs/dbraw/zinc/71/43/56/388714356.db2.gz KOGXRWZLOTWUHR-RWMBFGLXSA-N 1 0 228.380 1.562 10 0 BDAERO Cn1cc([C@H]2CCC[NH2+]2)nc1Br ZINC000575458618 388802093 /nfs/dbraw/zinc/80/20/93/388802093.db2.gz AIDIZMHQPRQNDF-ZCFIWIBFSA-N 1 0 230.109 1.607 10 0 BDAERO O[C@@H](C[NH2+]CC1CC(O)C1)c1cccc(F)c1 ZINC000091525846 388765141 /nfs/dbraw/zinc/76/51/41/388765141.db2.gz UCABYWMSEVBBMM-LDUAJXOISA-N 1 0 239.290 1.220 10 0 BDAERO CCOC[C@H](C)[NH2+]C[C@H]1CCC[C@H]1O ZINC000252713552 388775458 /nfs/dbraw/zinc/77/54/58/388775458.db2.gz PMKQIICIJOSOSK-HBNTYKKESA-N 1 0 201.310 1.162 10 0 BDAERO CC(C)CC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000232721124 388855829 /nfs/dbraw/zinc/85/58/29/388855829.db2.gz MTHQTESLGBYLCL-IJLUTSLNSA-N 1 0 226.364 1.783 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000555823508 388861152 /nfs/dbraw/zinc/86/11/52/388861152.db2.gz PYKVPCVSNUOHCE-STQMWFEESA-N 1 0 245.363 1.011 10 0 BDAERO CCC[C@@H]1COC[C@@]12[NH2+][C@@H](C)CS2 ZINC000575481137 388863307 /nfs/dbraw/zinc/86/33/07/388863307.db2.gz MYTJESZLEZOODU-AEJSXWLSSA-N 1 0 201.335 1.854 10 0 BDAERO CCS[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2C[C@@H]1O ZINC000575485415 388869295 /nfs/dbraw/zinc/86/92/95/388869295.db2.gz OPDLQOSGGDMSKW-QCLAVDOMSA-N 1 0 201.335 1.098 10 0 BDAERO CC1CC(C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000564831243 388892606 /nfs/dbraw/zinc/89/26/06/388892606.db2.gz QVXZFSUPINYESB-QEWOUOOISA-N 1 0 224.348 1.666 10 0 BDAERO CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000565533641 388950901 /nfs/dbraw/zinc/95/09/01/388950901.db2.gz GDGRKGJZHOESNI-RWMBFGLXSA-N 1 0 228.380 1.371 10 0 BDAERO CC1CN([C@]2(C[NH3+])CSC[C@H]2C)C1 ZINC000575494712 388953968 /nfs/dbraw/zinc/95/39/68/388953968.db2.gz XMDRXUNRRZMKGX-NXEZZACHSA-N 1 0 200.351 1.019 10 0 BDAERO Cn1nc(Br)cc1[C@@H]1[C@H]([NH3+])C1(C)C ZINC000575501074 388990673 /nfs/dbraw/zinc/99/06/73/388990673.db2.gz XDUNLMPCOPNIHQ-SFYZADRCSA-N 1 0 244.136 1.633 10 0 BDAERO CC1(C)CCSC[C@]12C[C@@H]([NH3+])CO2 ZINC000575508730 389001707 /nfs/dbraw/zinc/00/17/07/389001707.db2.gz OCPPSKWBSLWTOD-PSASIEDQSA-N 1 0 201.335 1.636 10 0 BDAERO CC[NH2+][C@H]1CO[C@@]2(C1)CCCSC2 ZINC000575510898 389006905 /nfs/dbraw/zinc/00/69/05/389006905.db2.gz AGJMOMCDFKLQAY-NXEZZACHSA-N 1 0 201.335 1.651 10 0 BDAERO C[C@@H]1C[C@]2(CC[NH2+]1)NCC[C@@H](C)S2 ZINC000575512594 389010830 /nfs/dbraw/zinc/01/08/30/389010830.db2.gz RCFVRQYTEYCYGZ-OPRDCNLKSA-N 1 0 200.351 1.570 10 0 BDAERO CO[C@H](C)C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273059358 389037844 /nfs/dbraw/zinc/03/78/44/389037844.db2.gz ZTYSDAXTENPTCQ-BXKDBHETSA-N 1 0 243.734 1.998 10 0 BDAERO C[C@@H]([NH2+]CC(=O)N1CCC1)c1cccs1 ZINC000273298608 389038925 /nfs/dbraw/zinc/03/89/25/389038925.db2.gz NQCACUDCECMCIA-SECBINFHSA-N 1 0 224.329 1.631 10 0 BDAERO C[NH2+]CCN1C(=O)COc2ccc(Cl)cc21 ZINC000042410315 132351522 /nfs/dbraw/zinc/35/15/22/132351522.db2.gz XQEJZSZNYOTHLD-UHFFFAOYSA-N 1 0 240.690 1.285 10 0 BDAERO CCN(C)c1nc2ccccn2c1C[C@@H](C)[NH3+] ZINC000104256372 169714168 /nfs/dbraw/zinc/71/41/68/169714168.db2.gz JGHDVVFUGDYSLK-SNVBAGLBSA-N 1 0 232.331 1.680 10 0 BDAERO C([C@@H]1CCC[N@@H+](C2CCC2)C1)N1CCOCC1 ZINC000179569403 533374804 /nfs/dbraw/zinc/37/48/04/533374804.db2.gz FWYHJKLZJWJSKG-ZDUSSCGKSA-N 1 0 238.375 1.583 10 0 BDAERO Cc1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000268283579 132191872 /nfs/dbraw/zinc/19/18/72/132191872.db2.gz BSZXCSGILALZGC-LBPRGKRZSA-N 1 0 217.316 1.674 10 0 BDAERO Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)nnc1C ZINC000302276073 132262358 /nfs/dbraw/zinc/26/23/58/132262358.db2.gz HVADPUKKRXVWAF-ZDUSSCGKSA-N 1 0 246.358 1.768 10 0 BDAERO [NH3+]C1CCN(c2cccnc2Cl)CC1 ZINC000045949437 132298580 /nfs/dbraw/zinc/29/85/80/132298580.db2.gz YVDYGOLKJCXIBJ-UHFFFAOYSA-N 1 0 211.696 1.663 10 0 BDAERO CC(C)CCNc1cc(N2CC[NH2+]CC2)ncn1 ZINC000057330581 132300793 /nfs/dbraw/zinc/30/07/93/132300793.db2.gz KQRREQWYWWWHTP-UHFFFAOYSA-N 1 0 249.362 1.344 10 0 BDAERO CN1c2ccc(F)cc2C2(C[NH2+]C2)OC1=O ZINC000261508546 132303711 /nfs/dbraw/zinc/30/37/11/132303711.db2.gz UMLDJHWSCLSJLM-UHFFFAOYSA-N 1 0 222.219 1.211 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncccn1 ZINC000301285007 132308403 /nfs/dbraw/zinc/30/84/03/132308403.db2.gz NZEOVRMGWLGDOZ-GHMZBOCLSA-N 1 0 218.304 1.150 10 0 BDAERO c1cc2c(c(N3CC[NH2+]CC3)c1)CCCC2 ZINC000001614751 132308533 /nfs/dbraw/zinc/30/85/33/132308533.db2.gz FBPPFIPXMJEJCU-UHFFFAOYSA-N 1 0 216.328 1.975 10 0 BDAERO C[C@@H]1CN(c2ccnc3cccnc32)[C@H](C)C[NH2+]1 ZINC000341041765 132310781 /nfs/dbraw/zinc/31/07/81/132310781.db2.gz YMONWECADDUIOJ-GHMZBOCLSA-N 1 0 242.326 1.816 10 0 BDAERO Nc1cc(N2CC[NH2+]CC2)ccc1Cl ZINC000008418113 132318875 /nfs/dbraw/zinc/31/88/75/132318875.db2.gz AHSQHIUUWYLBBX-UHFFFAOYSA-N 1 0 211.696 1.332 10 0 BDAERO Cc1cccc2c1O[C@@H](C1=[NH+]CCN1)CN2C ZINC000013518752 132321957 /nfs/dbraw/zinc/32/19/57/132321957.db2.gz BGCYQKUTUDBVPZ-LLVKDONJSA-N 1 0 231.299 1.194 10 0 BDAERO CC1=COc2c(cccc2N2CC[NH2+]CC2)O1 ZINC000013741464 132322271 /nfs/dbraw/zinc/32/22/71/132322271.db2.gz QUFVTWOEEXQODO-UHFFFAOYSA-N 1 0 232.283 1.729 10 0 BDAERO CC(C)[C@@H](C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000019271353 132324349 /nfs/dbraw/zinc/32/43/49/132324349.db2.gz PHCGPGKKHWUOBG-OAHLLOKOSA-N 1 0 247.386 1.792 10 0 BDAERO [NH3+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000019482276 132325377 /nfs/dbraw/zinc/32/53/77/132325377.db2.gz JLSHUNFRPIXXPK-UHFFFAOYSA-N 1 0 212.243 1.892 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CCC(C(N)=O)CC1 ZINC000019872378 132328386 /nfs/dbraw/zinc/32/83/86/132328386.db2.gz GQQFNCJVSIKROY-SNVBAGLBSA-N 1 0 247.342 1.408 10 0 BDAERO [NH3+]Cc1ccccc1N1C(=O)CCCC1=O ZINC000020423156 132331385 /nfs/dbraw/zinc/33/13/85/132331385.db2.gz KUKMIAPQWMDOQG-UHFFFAOYSA-N 1 0 218.256 1.189 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCC[C@H](C(N)=O)C1 ZINC000034822959 132336722 /nfs/dbraw/zinc/33/67/22/132336722.db2.gz JUKUMIJWULKTNO-LBPRGKRZSA-N 1 0 247.342 1.108 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCC[C@@H](C(N)=O)C1 ZINC000034822960 132336731 /nfs/dbraw/zinc/33/67/31/132336731.db2.gz JUKUMIJWULKTNO-GFCCVEGCSA-N 1 0 247.342 1.108 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N1CCC[C@H](C(N)=O)C1 ZINC000035438935 132338170 /nfs/dbraw/zinc/33/81/70/132338170.db2.gz IQCBZRNEZMRUHU-MNOVXSKESA-N 1 0 247.342 1.408 10 0 BDAERO [NH3+]CCN1C(=O)CCc2cc(F)ccc21 ZINC000035355548 132338270 /nfs/dbraw/zinc/33/82/70/132338270.db2.gz AMQCKKGACJQBAM-UHFFFAOYSA-N 1 0 208.236 1.064 10 0 BDAERO C[C@@H]1COCCN1c1ccc(F)cc1C[NH3+] ZINC000035777665 132339461 /nfs/dbraw/zinc/33/94/61/132339461.db2.gz IISSLUMOPFBFEF-SECBINFHSA-N 1 0 224.279 1.510 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1c1ccc(F)cc1C[NH3+] ZINC000035788395 132339655 /nfs/dbraw/zinc/33/96/55/132339655.db2.gz NYWXLDICLXRORH-ZJUUUORDSA-N 1 0 238.306 1.898 10 0 BDAERO Cc1cc[nH+]c(N2C[C@@H](C)O[C@@H](C)C2)c1N ZINC000036245178 132341439 /nfs/dbraw/zinc/34/14/39/132341439.db2.gz NFFMFXCKJPUYFV-AOOOYVTPSA-N 1 0 221.304 1.586 10 0 BDAERO Cc1[nH+]c(N2CCCC[C@@H]2CCO)ccc1N ZINC000036250950 132341733 /nfs/dbraw/zinc/34/17/33/132341733.db2.gz ZHLFKEAUKYQSQW-LLVKDONJSA-N 1 0 235.331 1.714 10 0 BDAERO CC[C@H]1CN(c2ccccc2C(N)=[NH2+])CCO1 ZINC000036769923 132342573 /nfs/dbraw/zinc/34/25/73/132342573.db2.gz LDWOAIQEVCNDCI-JTQLQIEISA-N 1 0 233.315 1.586 10 0 BDAERO Cc1ccc(N2CCN(C[C@@H](C)C[NH3+])CC2)nc1 ZINC000037039512 132343440 /nfs/dbraw/zinc/34/34/40/132343440.db2.gz MCXVEDBAJFNUFG-ZDUSSCGKSA-N 1 0 248.374 1.107 10 0 BDAERO CN1c2ccccc2[C@H]([NH2+]C2CC2)CC1=O ZINC000037183859 132343613 /nfs/dbraw/zinc/34/36/13/132343613.db2.gz AWIVSTZGXWFZJS-LLVKDONJSA-N 1 0 216.284 1.846 10 0 BDAERO Fc1c(Cl)cccc1N1CC[NH2+]CC1 ZINC000037483549 132344720 /nfs/dbraw/zinc/34/47/20/132344720.db2.gz KZWPMWSGCNWTSB-UHFFFAOYSA-N 1 0 214.671 1.889 10 0 BDAERO C[C@@H](O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000039321437 132346596 /nfs/dbraw/zinc/34/65/96/132346596.db2.gz GOBJRBJMDFZYKN-SNVBAGLBSA-N 1 0 206.289 1.150 10 0 BDAERO C[C@@H]1C[C@@H](C)CN(c2[nH+]cc(N)cc2N)C1 ZINC000039110254 132346788 /nfs/dbraw/zinc/34/67/88/132346788.db2.gz UKPBBCTZVDDLDQ-RKDXNWHRSA-N 1 0 220.320 1.728 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000040431843 132347606 /nfs/dbraw/zinc/34/76/06/132347606.db2.gz QPLHVYIDZFETHZ-STQMWFEESA-N 1 0 246.358 1.083 10 0 BDAERO [NH3+]Cc1cc(F)ccc1N1CCC[C@H](O)C1 ZINC000042469659 132352562 /nfs/dbraw/zinc/35/25/62/132352562.db2.gz GUEQOQOTEIVIPF-NSHDSACASA-N 1 0 224.279 1.246 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCC[C@@H](O)C1 ZINC000042469599 132352578 /nfs/dbraw/zinc/35/25/78/132352578.db2.gz VQFSBESZPLNSDH-GFCCVEGCSA-N 1 0 220.316 1.367 10 0 BDAERO [NH3+]Cc1ccccc1N1CCCNC1=O ZINC000043323254 132352887 /nfs/dbraw/zinc/35/28/87/132352887.db2.gz AQAKTKKXAGYCMO-UHFFFAOYSA-N 1 0 205.261 1.065 10 0 BDAERO Cc1ccc(C[NH3+])c(N2CCOC[C@H]2C)n1 ZINC000043395644 132353102 /nfs/dbraw/zinc/35/31/02/132353102.db2.gz CJVOADOGQPBCRG-SNVBAGLBSA-N 1 0 221.304 1.074 10 0 BDAERO COc1ccc(F)cc1N1CC[NH2+]CC1 ZINC000043461479 132353227 /nfs/dbraw/zinc/35/32/27/132353227.db2.gz LYPKLJIYXQVTPF-UHFFFAOYSA-N 1 0 210.252 1.244 10 0 BDAERO C[C@H]([NH3+])[C@H](O)c1ccc2c(c1)CCCN2C ZINC000050285923 132358959 /nfs/dbraw/zinc/35/89/59/132358959.db2.gz PKKOLZSWYCBGCH-ZANVPECISA-N 1 0 220.316 1.450 10 0 BDAERO C[C@H]1CN(c2cccc(C[NH3+])n2)C[C@H](C)O1 ZINC000051396173 132359992 /nfs/dbraw/zinc/35/99/92/132359992.db2.gz CEGZLCMFGRUKLY-UWVGGRQHSA-N 1 0 221.304 1.154 10 0 BDAERO [NH3+]Cc1cc(N2CCOCC2)nc2ccccc12 ZINC000051396123 132360063 /nfs/dbraw/zinc/36/00/63/132360063.db2.gz VKYMWTGPXYMOES-UHFFFAOYSA-N 1 0 243.310 1.530 10 0 BDAERO [NH3+]Cc1nc(N2CCSCC2)ccc1Cl ZINC000051396554 132360222 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C[C@H]1CCN(CCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000261536418 135172618 /nfs/dbraw/zinc/17/26/18/135172618.db2.gz RPTIFGVAPJKDJJ-IUCAKERBSA-N 1 0 224.270 1.998 10 0 BDAERO Cc1nsc(N2CC[C@H]([NH3+])C(C)(C)C2)n1 ZINC000261536611 135172628 /nfs/dbraw/zinc/17/26/28/135172628.db2.gz SDMCMEWOSBXJDX-QMMMGPOBSA-N 1 0 226.349 1.410 10 0 BDAERO CO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2[NH3+])C1(C)C ZINC000261540358 135179161 /nfs/dbraw/zinc/17/91/61/135179161.db2.gz GFTTUXGPKXKJLC-CHWFTXMASA-N 1 0 240.347 1.044 10 0 BDAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cncc(F)c3)C[C@@H]12 ZINC000261540384 135179528 /nfs/dbraw/zinc/17/95/28/135179528.db2.gz ABGSWHXDBBNZJO-RAIGVLPGSA-N 1 0 235.306 1.390 10 0 BDAERO Cc1occc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261541480 135181358 /nfs/dbraw/zinc/18/13/58/135181358.db2.gz BCAFGEUFVSIMSY-LLVKDONJSA-N 1 0 236.315 1.787 10 0 BDAERO CCc1cc(NC[C@@H]([NH3+])C(C)C)nc(C)n1 ZINC000084082152 135182863 /nfs/dbraw/zinc/18/28/63/135182863.db2.gz MJWAZGAQABGTIE-LLVKDONJSA-N 1 0 222.336 1.743 10 0 BDAERO C[C@@H](C(=O)N(C)C1C[NH2+]C1)c1cccs1 ZINC000261543781 135184864 /nfs/dbraw/zinc/18/48/64/135184864.db2.gz IFGXXFHKUYBUQK-MRVPVSSYSA-N 1 0 224.329 1.282 10 0 BDAERO O=C(C[NH2+]CC1CC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000261552999 135192445 /nfs/dbraw/zinc/19/24/45/135192445.db2.gz NPAXHFHHQPQBII-CHWSQXEVSA-N 1 0 236.359 1.635 10 0 BDAERO C[C@H]1CCN(C(=O)C2C[NH2+]C2)C[C@H](C)C1 ZINC000261557869 135198802 /nfs/dbraw/zinc/19/88/02/135198802.db2.gz XTEVOFFKQFNZAM-VHSXEESVSA-N 1 0 210.321 1.100 10 0 BDAERO C[C@@H](NCC(C)(C)[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000261557930 135199016 /nfs/dbraw/zinc/19/90/16/135199016.db2.gz CWDLRSRMHGQJNW-MRVPVSSYSA-N 1 0 248.330 1.244 10 0 BDAERO [NH3+]C1(C(=O)N2C[C@H]3CCCC[C@@H]3C2)CCC1 ZINC000261559370 135200056 /nfs/dbraw/zinc/20/00/56/135200056.db2.gz YZCZROUJZSHDJN-GHMZBOCLSA-N 1 0 222.332 1.516 10 0 BDAERO CC1(C)CN(C(=O)NC2CCC2)CC[C@H]1[NH3+] ZINC000261563750 135205078 /nfs/dbraw/zinc/20/50/78/135205078.db2.gz BYRFDESVWZDLIP-SNVBAGLBSA-N 1 0 225.336 1.308 10 0 BDAERO C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084308509 135207021 /nfs/dbraw/zinc/20/70/21/135207021.db2.gz QWZCBYIYXVZZBF-IJLUTSLNSA-N 1 0 224.348 1.762 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084311123 135208210 /nfs/dbraw/zinc/20/82/10/135208210.db2.gz SSSRDMKNEOLKJC-MVWJERBFSA-N 1 0 224.348 1.666 10 0 BDAERO COc1cccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000163847930 135208832 /nfs/dbraw/zinc/20/88/32/135208832.db2.gz PLPNPRBOIHLAPO-VIFPVBQESA-N 1 0 234.299 1.489 10 0 BDAERO Cc1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261567439 135209288 /nfs/dbraw/zinc/20/92/88/135209288.db2.gz ZTPKYDDJBRBOQG-CYBMUJFWSA-N 1 0 233.359 1.949 10 0 BDAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1cccnc1 ZINC000163882279 135209467 /nfs/dbraw/zinc/20/94/67/135209467.db2.gz UOWCPIWJQDTKHV-NXEZZACHSA-N 1 0 233.315 1.114 10 0 BDAERO CNC(=O)[C@@H](C)[NH2+]CC1CCCCCC1 ZINC000084329212 135211785 /nfs/dbraw/zinc/21/17/85/135211785.db2.gz VIJCCGIVAQZLPD-SNVBAGLBSA-N 1 0 212.337 1.681 10 0 BDAERO CC1(C)CN(c2ncncc2Cl)CC[C@H]1[NH3+] ZINC000261571973 135213871 /nfs/dbraw/zinc/21/38/71/135213871.db2.gz HWXNLLUHTMIWDY-SECBINFHSA-N 1 0 240.738 1.694 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1Cc1cc(O)cc(F)c1 ZINC000261571806 135214126 /nfs/dbraw/zinc/21/41/26/135214126.db2.gz HWJULCHQTPMRDN-PELKAZGASA-N 1 0 224.279 1.453 10 0 BDAERO COC[C@H](C)N(C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261577598 135219044 /nfs/dbraw/zinc/21/90/44/135219044.db2.gz LEBSDUNVOYEERV-QWRGUYRKSA-N 1 0 228.336 1.012 10 0 BDAERO CSC[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261581398 135222793 /nfs/dbraw/zinc/22/27/93/135222793.db2.gz NOGRWNRNXCSXJG-NXEZZACHSA-N 1 0 244.404 1.571 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000261592574 135232833 /nfs/dbraw/zinc/23/28/33/135232833.db2.gz VXVSJZISGBDNFI-UWVGGRQHSA-N 1 0 210.321 1.372 10 0 BDAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1c[nH]c(C2CC2)n1 ZINC000261613406 135243609 /nfs/dbraw/zinc/24/36/09/135243609.db2.gz AZQBJWSCIQKDKX-IUCAKERBSA-N 1 0 248.330 1.096 10 0 BDAERO O=C(C1C[NH2+]C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000084409267 135247729 /nfs/dbraw/zinc/24/77/29/135247729.db2.gz DDQZZVMWDPBZSA-JQWIXIFHSA-N 1 0 222.332 1.387 10 0 BDAERO C1[C@H](c2nc([C@H]3CCOC3)no2)C12CC[NH2+]CC2 ZINC000261761156 135250939 /nfs/dbraw/zinc/25/09/39/135250939.db2.gz MJKUHDCUGJLZMU-VHSXEESVSA-N 1 0 249.314 1.431 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)CC1CCC(C)CC1 ZINC000261815764 135255128 /nfs/dbraw/zinc/25/51/28/135255128.db2.gz TXGHOAOZMCJNER-CXQJBGSLSA-N 1 0 226.364 1.927 10 0 BDAERO CCCN(CC(F)F)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261823767 135255563 /nfs/dbraw/zinc/25/55/63/135255563.db2.gz SUUJQALNQQWORV-NXEZZACHSA-N 1 0 248.317 1.865 10 0 BDAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000261918107 135262974 /nfs/dbraw/zinc/26/29/74/135262974.db2.gz XGSUXIUHQFUPHC-VHRBIJSZSA-N 1 0 248.326 1.370 10 0 BDAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccccc1Cl ZINC000262188889 135284574 /nfs/dbraw/zinc/28/45/74/135284574.db2.gz YBVVTEVNSVYZKM-CMPLNLGQSA-N 1 0 240.734 1.010 10 0 BDAERO CC(C)[C@@H]1CCCCN1C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262597835 135307723 /nfs/dbraw/zinc/30/77/23/135307723.db2.gz XHDCILWVJFJVAQ-YPMHNXCESA-N 1 0 238.375 1.879 10 0 BDAERO CC[C@H]([NH3+])C(=O)Nc1ccnc2ccncc21 ZINC000262655661 135311902 /nfs/dbraw/zinc/31/19/02/135311902.db2.gz COURWMCGWJJWKX-VIFPVBQESA-N 1 0 230.271 1.306 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1noc(/C=C/C2CC2)n1 ZINC000263171308 135337233 /nfs/dbraw/zinc/33/72/33/135337233.db2.gz FTLLZODNJGKAIP-ORAHPGNNSA-N 1 0 234.303 1.069 10 0 BDAERO C[C@H]1CCc2ccccc2[C@H]1NC(=O)C1C[NH2+]C1 ZINC000263240809 135341650 /nfs/dbraw/zinc/34/16/50/135341650.db2.gz CGHPEKWRUGEVMT-HZMBPMFUSA-N 1 0 244.338 1.646 10 0 BDAERO Cc1cnc(C(C)(C)NC(=O)C2C[NH2+]C2)s1 ZINC000263322063 135346463 /nfs/dbraw/zinc/34/64/63/135346463.db2.gz RQEICNJTGKSSGH-UHFFFAOYSA-N 1 0 239.344 1.022 10 0 BDAERO CC1(C)C[C@@H](NC(=O)C2C[NH2+]C2)c2ccccc21 ZINC000263322835 135346784 /nfs/dbraw/zinc/34/67/84/135346784.db2.gz RXPGWOQUHJDRKL-CYBMUJFWSA-N 1 0 244.338 1.745 10 0 BDAERO Cc1cccc(C)c1CCNC(=O)C1C[NH2+]C1 ZINC000263337806 135347584 /nfs/dbraw/zinc/34/75/84/135347584.db2.gz WUQNVRZOWVSJBB-UHFFFAOYSA-N 1 0 232.327 1.182 10 0 BDAERO CC(C)[C@H]1CCC[C@@H](NC(=O)C2C[NH2+]C2)C1 ZINC000263341991 135348488 /nfs/dbraw/zinc/34/84/88/135348488.db2.gz XWSJIIANJDWLSK-CMPLNLGQSA-N 1 0 224.348 1.537 10 0 BDAERO C[C@@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000080993935 135384891 /nfs/dbraw/zinc/38/48/91/135384891.db2.gz ZADVCVZCLDSLNH-DGCLKSJQSA-N 1 0 247.342 1.791 10 0 BDAERO C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308661068 135426057 /nfs/dbraw/zinc/42/60/57/135426057.db2.gz PXNNLMFDEGBKJM-OUAUKWLOSA-N 1 0 203.301 1.875 10 0 BDAERO COC[C@@H]([NH2+][C@H]1CCCn2ncnc21)C(C)C ZINC000164768242 135439313 /nfs/dbraw/zinc/43/93/13/135439313.db2.gz VJIGPFMZHBDWIL-WDEREUQCSA-N 1 0 238.335 1.374 10 0 BDAERO C[C@@H](C[NH3+])CNc1ccc(S(C)(=O)=O)cc1 ZINC000083387581 135447673 /nfs/dbraw/zinc/44/76/73/135447673.db2.gz KZRVGPVUUWOKPY-VIFPVBQESA-N 1 0 242.344 1.097 10 0 BDAERO CC[C@H]1CCC[C@H](NC(=O)C2C[NH2+]C2)C1 ZINC000084412688 135471833 /nfs/dbraw/zinc/47/18/33/135471833.db2.gz DEOJCPYMKWXQFR-ONGXEEELSA-N 1 0 210.321 1.291 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000085356604 135482384 /nfs/dbraw/zinc/48/23/84/135482384.db2.gz OGNIVHIZOAATAF-KBPBESRZSA-N 1 0 244.338 1.699 10 0 BDAERO COc1ncc(Cl)c(N[C@@H](C)CCC[NH3+])n1 ZINC000087799870 135513672 /nfs/dbraw/zinc/51/36/72/135513672.db2.gz QEIIBOXFRDRWCX-ZETCQYMHSA-N 1 0 244.726 1.678 10 0 BDAERO Cc1noc(CC[NH2+][C@@H](C)CC(C)C)n1 ZINC000089518819 135536643 /nfs/dbraw/zinc/53/66/43/135536643.db2.gz ZXICURZJQDZKEA-VIFPVBQESA-N 1 0 211.309 1.945 10 0 BDAERO CCc1noc(C)c1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000335301774 136020830 /nfs/dbraw/zinc/02/08/30/136020830.db2.gz JCFFJNDSTIDLBL-KWQFWETISA-N 1 0 223.320 1.324 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(CO)cc2)C1 ZINC000335588981 136102688 /nfs/dbraw/zinc/10/26/88/136102688.db2.gz JCHCZGXQWWOQOM-BXUZGUMPSA-N 1 0 235.327 1.382 10 0 BDAERO Cc1oncc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000335591570 136103533 /nfs/dbraw/zinc/10/35/33/136103533.db2.gz XWJOJPMIZUPEJV-KWQFWETISA-N 1 0 210.277 1.186 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H]2CCCCO2)C1 ZINC000401916591 533673634 /nfs/dbraw/zinc/67/36/34/533673634.db2.gz UCHOQHOSVHYTRI-UTUOFQBUSA-N 1 0 213.321 1.258 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CC[C@@H]2CCCO2)C1 ZINC000401887861 533673786 /nfs/dbraw/zinc/67/37/86/533673786.db2.gz FVNQVDKLEFXUTN-UTUOFQBUSA-N 1 0 213.321 1.258 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000052395731 322854432 /nfs/dbraw/zinc/85/44/32/322854432.db2.gz PLTKYWDJSQOVNZ-MRVPVSSYSA-N 1 0 236.271 1.020 10 0 BDAERO COc1ccc(C[C@@H]2CC[NH2+]C2)cc1OC ZINC000057951954 397733528 /nfs/dbraw/zinc/73/35/28/397733528.db2.gz PWSSKURTVMWSOJ-NSHDSACASA-N 1 0 221.300 1.856 10 0 BDAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cscc1Cl ZINC000381583745 397761489 /nfs/dbraw/zinc/76/14/89/397761489.db2.gz GLDTWWPVILPBLV-XVKPBYJWSA-N 1 0 246.763 1.071 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1nnnn1C ZINC000382337715 397936250 /nfs/dbraw/zinc/93/62/50/397936250.db2.gz YPPAXRXPMBETKL-AXTSPUMRSA-N 1 0 221.308 1.049 10 0 BDAERO [NH3+][C@]1(Cc2nccs2)CCCSC1 ZINC000575470493 397954439 /nfs/dbraw/zinc/95/44/39/397954439.db2.gz SGWDPQZTESVGFR-VIFPVBQESA-N 1 0 214.359 1.910 10 0 BDAERO CCc1cc(N[C@H]2CC[C@H](C[NH3+])C2)nc(C)n1 ZINC000382508330 397954906 /nfs/dbraw/zinc/95/49/06/397954906.db2.gz NMCXTBDFUHOGBA-JQWIXIFHSA-N 1 0 234.347 1.887 10 0 BDAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000037482125 397961727 /nfs/dbraw/zinc/96/17/27/397961727.db2.gz KHTAXZRXTWMQJD-MFAVDMRSSA-N 1 0 210.321 1.419 10 0 BDAERO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000111366110 397905726 /nfs/dbraw/zinc/90/57/26/397905726.db2.gz KMCAUYVBCFVLAH-LBPRGKRZSA-N 1 0 246.310 1.185 10 0 BDAERO NC1=[NH+]C[C@@H](C2CCC2)N1Cc1ccccc1 ZINC000149711342 397910572 /nfs/dbraw/zinc/91/05/72/397910572.db2.gz MLLQGRNGUJRZSL-ZDUSSCGKSA-N 1 0 229.327 1.986 10 0 BDAERO C[C@H]1CCN1[C@]1(C[NH3+])CCCSC1 ZINC000575592332 397990708 /nfs/dbraw/zinc/99/07/08/397990708.db2.gz SYUVIKQVJRGTGP-UWVGGRQHSA-N 1 0 200.351 1.305 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)c(O)c1C ZINC000054074086 398024931 /nfs/dbraw/zinc/02/49/31/398024931.db2.gz NMQKEVAAFPIYCR-SECBINFHSA-N 1 0 222.288 1.555 10 0 BDAERO CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH2+]C ZINC000054073733 398025338 /nfs/dbraw/zinc/02/53/38/398025338.db2.gz MYQNNLKPGQSOJX-MXWKQRLJSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1N(C)C ZINC000054074066 398025420 /nfs/dbraw/zinc/02/54/20/398025420.db2.gz BKTJJNKIHCHRDT-SECBINFHSA-N 1 0 221.304 1.299 10 0 BDAERO OCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000383662834 398032656 /nfs/dbraw/zinc/03/26/56/398032656.db2.gz JVDWTQKVAXXAGN-RDBSUJKOSA-N 1 0 241.375 1.774 10 0 BDAERO C[C@](F)(c1cncs1)[C@@H]1CC[NH2+]C1 ZINC000575519021 397976249 /nfs/dbraw/zinc/97/62/49/397976249.db2.gz YHCLHEASLXVWGL-VXNVDRBHSA-N 1 0 200.282 1.937 10 0 BDAERO C[NH2+][C@@H](CO)c1ccc(Cl)c(F)c1 ZINC000043391548 397977622 /nfs/dbraw/zinc/97/76/22/397977622.db2.gz YAGVCZFTQILJKF-VIFPVBQESA-N 1 0 203.644 1.732 10 0 BDAERO CC(C)([NH3+])c1csc(CN2CCC2)n1 ZINC000307133211 397985232 /nfs/dbraw/zinc/98/52/32/397985232.db2.gz XFLPKSZSCSLKND-UHFFFAOYSA-N 1 0 211.334 1.543 10 0 BDAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CCS[C@H]1C ZINC000307134384 397986559 /nfs/dbraw/zinc/98/65/59/397986559.db2.gz ODHSRGKPDUIYRM-RGOKHQFPSA-N 1 0 201.335 1.647 10 0 BDAERO C[C@@]1(C[NH3+])CC[N@@H+]([C@H]2CCSC2)C1 ZINC000307134796 397986690 /nfs/dbraw/zinc/98/66/90/397986690.db2.gz AJVFEOYLVBFUJG-UWVGGRQHSA-N 1 0 200.351 1.163 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1ncnc2c1CCC2 ZINC000061277693 398060791 /nfs/dbraw/zinc/06/07/91/398060791.db2.gz RDFRPLDRAQULOG-JTQLQIEISA-N 1 0 232.331 1.283 10 0 BDAERO COC(=O)[C@]1(c2ccccc2Cl)CC[NH2+]C1 ZINC000260473847 398093490 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O=C1NCC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000676234889 487563895 /nfs/dbraw/zinc/56/38/95/487563895.db2.gz RZPYTPYWUPMUHU-WXRRBKDZSA-N 1 0 230.311 1.411 10 0 BDAERO CCC[N@H+](CCO)C[C@H]1CCC[C@@H](O)C1 ZINC000308919678 487581581 /nfs/dbraw/zinc/58/15/81/487581581.db2.gz OPUGKDKOGBNLJO-NWDGAFQWSA-N 1 0 215.337 1.242 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]12 ZINC000310907986 487597144 /nfs/dbraw/zinc/59/71/44/487597144.db2.gz CGPOBTJLIMBBMX-WCFLWFBJSA-N 1 0 245.326 1.888 10 0 BDAERO CCc1cncc([C@@H]2C[N@@H+]3CC[C@H]2C3)n1 ZINC000013448260 487609181 /nfs/dbraw/zinc/60/91/81/487609181.db2.gz IWRPWPBGAJHHHO-GXSJLCMTSA-N 1 0 203.289 1.458 10 0 BDAERO C[C@H](O)[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000309761542 487609535 /nfs/dbraw/zinc/60/95/35/487609535.db2.gz MRCVXUOLSQCCPI-WUHRBBMRSA-N 1 0 227.348 1.240 10 0 BDAERO CC(C)CCN(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122579 487610043 /nfs/dbraw/zinc/61/00/43/487610043.db2.gz CLYSYPMZKCUDMR-VXGBXAGGSA-N 1 0 226.364 1.879 10 0 BDAERO C[C@@]1(CNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1(F)F ZINC000662665386 409826204 /nfs/dbraw/zinc/82/62/04/409826204.db2.gz INAIPWCCERLPHC-WDEREUQCSA-N 1 0 246.301 1.680 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3C[C@@H]3C2)C1 ZINC000662706445 409857186 /nfs/dbraw/zinc/85/71/86/409857186.db2.gz VWTHCAOADSOOEO-WRWGMCAJSA-N 1 0 222.332 1.372 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1O ZINC000308797065 409905385 /nfs/dbraw/zinc/90/53/85/409905385.db2.gz KTMKUEHMDKEYND-HBNTYKKESA-N 1 0 215.337 1.287 10 0 BDAERO CN(C)CC(C)(C)[NH2+]C[C@@H]1CCCN1C ZINC000308630817 409892579 /nfs/dbraw/zinc/89/25/79/409892579.db2.gz IFKYWYISUGYYOG-NSHDSACASA-N 1 0 213.369 1.010 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H](OC)CC1 ZINC000662834173 409942073 /nfs/dbraw/zinc/94/20/73/409942073.db2.gz FKQYZKOWWSTUKL-SDDRHHMPSA-N 1 0 242.363 1.387 10 0 BDAERO Cc1cn(C)nc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662969949 409999231 /nfs/dbraw/zinc/99/92/31/409999231.db2.gz BMNRYYLJJDUQKV-SNVBAGLBSA-N 1 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1.645 10 0 BDAERO COc1cccnc1N1CCC[C@H](CC[NH3+])C1 ZINC000128387625 410269852 /nfs/dbraw/zinc/26/98/52/410269852.db2.gz PXWSBRFGUSTXEI-LLVKDONJSA-N 1 0 235.331 1.655 10 0 BDAERO CCc1cc(NC[C@H]2CN(CC)CCO2)cc[nH+]1 ZINC000307765930 410662286 /nfs/dbraw/zinc/66/22/86/410662286.db2.gz BKCKYVYJRVHMTO-AWEZNQCLSA-N 1 0 249.358 1.777 10 0 BDAERO CC(C)(C)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1[NH3+] ZINC000104324275 166621702 /nfs/dbraw/zinc/62/17/02/166621702.db2.gz RDZAQDJZUAFVRI-NWDGAFQWSA-N 1 0 247.342 1.709 10 0 BDAERO CC[C@@H]1C[C@H]1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227695244 487618466 /nfs/dbraw/zinc/61/84/66/487618466.db2.gz XEKGZGAOJWFGKM-CKYFFXLPSA-N 1 0 210.321 1.433 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)[C@H]1CCSC1 ZINC000393728942 410755622 /nfs/dbraw/zinc/75/56/22/410755622.db2.gz DJHKDMBTAXDFNQ-WOPDTQHZSA-N 1 0 229.389 1.975 10 0 BDAERO CC(C)CCNC(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000051791287 166853078 /nfs/dbraw/zinc/85/30/78/166853078.db2.gz LZKKEMVGPRRCIR-GHMZBOCLSA-N 1 0 212.337 1.537 10 0 BDAERO CC[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000309318067 410824264 /nfs/dbraw/zinc/82/42/64/410824264.db2.gz ZLOKNTUNIKOZHT-FRRDWIJNSA-N 1 0 227.348 1.648 10 0 BDAERO CC(C)CN(C(=O)[C@H](C)C1C[NH2+]C1)C(C)C ZINC000129134849 166926815 /nfs/dbraw/zinc/92/68/15/166926815.db2.gz DYEMWJPVZOPLCS-LLVKDONJSA-N 1 0 226.364 1.735 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCNC2=O)o1 ZINC000395880465 410865362 /nfs/dbraw/zinc/86/53/62/410865362.db2.gz BWSZPYNCTOHJAH-WDEREUQCSA-N 1 0 236.315 1.765 10 0 BDAERO CC(C)C[NH+]1CCN(c2cccccc2=O)CC1 ZINC000028000657 166971987 /nfs/dbraw/zinc/97/19/87/166971987.db2.gz WVULEUDLBHHLHZ-UHFFFAOYSA-N 1 0 246.354 1.825 10 0 BDAERO C[C@@H]1NCCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000396697812 410897194 /nfs/dbraw/zinc/89/71/94/410897194.db2.gz KBRHXJGHVSNFOY-JOYOIKCWSA-N 1 0 208.349 1.905 10 0 BDAERO CC(C)C[NH2+]C1(C(N)=O)CCC(C)CC1 ZINC000037946155 167002272 /nfs/dbraw/zinc/00/22/72/167002272.db2.gz PTTCLDMEKJBWIA-UHFFFAOYSA-N 1 0 212.337 1.666 10 0 BDAERO CC(C)C[NH2+]CCCn1nc2ccccn2c1=O ZINC000053523425 167004562 /nfs/dbraw/zinc/00/45/62/167004562.db2.gz WDDNBKDRPATCHV-UHFFFAOYSA-N 1 0 248.330 1.132 10 0 BDAERO CC(C)C[NH2+]C[C@H]1CC[C@@H](Cn2ccnc2)O1 ZINC000052575512 167008390 /nfs/dbraw/zinc/00/83/90/167008390.db2.gz CIJZUAFYHCEXOE-OLZOCXBDSA-N 1 0 237.347 1.676 10 0 BDAERO CC(C)CNc1ncnc2c1CN(C)CC2 ZINC000299614149 167018439 /nfs/dbraw/zinc/01/84/39/167018439.db2.gz OYSUOPRPVRHCFH-UHFFFAOYSA-N 1 0 220.320 1.532 10 0 BDAERO CC(C)[N@H+]1C[C@H](NC(=O)NCC(F)F)[C@@H](C)C1 ZINC000122456992 167033123 /nfs/dbraw/zinc/03/31/23/167033123.db2.gz HUNAHNKJXGRZEX-IUCAKERBSA-N 1 0 249.305 1.279 10 0 BDAERO CC(C)NC(=O)CC[C@H](C[NH3+])c1ccco1 ZINC000076611812 167046137 /nfs/dbraw/zinc/04/61/37/167046137.db2.gz VGNVFMBGPVWSRX-SNVBAGLBSA-N 1 0 224.304 1.627 10 0 BDAERO CC(C)NC(=O)CC[C@@H](C[NH3+])c1ccncc1 ZINC000076618273 167046514 /nfs/dbraw/zinc/04/65/14/167046514.db2.gz LMNZLHUVKGWANY-LBPRGKRZSA-N 1 0 235.331 1.429 10 0 BDAERO CC(C)NC(=O)COc1ccccc1CC[NH3+] ZINC000037720499 167063209 /nfs/dbraw/zinc/06/32/09/167063209.db2.gz RWGZNEAHWDVQIT-UHFFFAOYSA-N 1 0 236.315 1.091 10 0 BDAERO CC(C)NC(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000035691118 167075575 /nfs/dbraw/zinc/07/55/75/167075575.db2.gz OWSVRTGLKNEEIH-VHSXEESVSA-N 1 0 213.325 1.225 10 0 BDAERO CC(C)[NH2+]CCN1CC[C@](CO)(C(C)C)C1 ZINC000309606184 167106141 /nfs/dbraw/zinc/10/61/41/167106141.db2.gz LIHCTRXDJNQWEV-ZDUSSCGKSA-N 1 0 228.380 1.325 10 0 BDAERO CC(C)[NH2+]C[C@@H]1CCCN(C(=O)NC2CC2)C1 ZINC000063138437 167111992 /nfs/dbraw/zinc/11/19/92/167111992.db2.gz NUABZCUYXFCJNI-NSHDSACASA-N 1 0 239.363 1.568 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCC[C@H]1N1CCOCC1 ZINC000309676645 167114924 /nfs/dbraw/zinc/11/49/24/167114924.db2.gz LXRPJUVZDHINDX-CHWSQXEVSA-N 1 0 226.364 1.485 10 0 BDAERO CC(C)[NH2+]C[C@H](O)Cc1ccc(F)cc1F ZINC000071533948 167115343 /nfs/dbraw/zinc/11/53/43/167115343.db2.gz QHPQVSLYFSLBMY-LLVKDONJSA-N 1 0 229.270 1.866 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCN(c2nccn2C)C1 ZINC000053701972 167115422 /nfs/dbraw/zinc/11/54/22/167115422.db2.gz ANSDWIZMSGTMPF-GFCCVEGCSA-N 1 0 236.363 1.635 10 0 BDAERO CC(C)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000021046554 167130428 /nfs/dbraw/zinc/13/04/28/167130428.db2.gz PMBIRWXXTKYZMB-SECBINFHSA-N 1 0 242.344 1.393 10 0 BDAERO CC(C)N[C@@H](CC[NH+]1CCCCCC1)C(N)=O ZINC000062441185 167132885 /nfs/dbraw/zinc/13/28/85/167132885.db2.gz BLZYGPXIZYCNOD-LBPRGKRZSA-N 1 0 241.379 1.104 10 0 BDAERO CC[NH+](CC)CCn1c2ccccc2nc1CO ZINC000040389738 169783904 /nfs/dbraw/zinc/78/39/04/169783904.db2.gz LMRNHLXYTFAGJY-UHFFFAOYSA-N 1 0 247.342 1.870 10 0 BDAERO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C ZINC000308682510 167257010 /nfs/dbraw/zinc/25/70/10/167257010.db2.gz YCYDJIROCIBUDD-OUAUKWLOSA-N 1 0 201.310 1.567 10 0 BDAERO CC(C)OC[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000308824565 167266006 /nfs/dbraw/zinc/26/60/06/167266006.db2.gz DGOCFGCKDMIUCU-QWRGUYRKSA-N 1 0 217.353 1.797 10 0 BDAERO CC(C)Oc1ccc(Cl)c(C[NH3+])n1 ZINC000051526507 167293808 /nfs/dbraw/zinc/29/38/08/167293808.db2.gz PHKLRCKIWLGHTJ-UHFFFAOYSA-N 1 0 200.669 1.981 10 0 BDAERO CC(C)Oc1cncc(OC2CC2)c1C[NH3+] ZINC000095737881 167312993 /nfs/dbraw/zinc/31/29/93/167312993.db2.gz TZWOWQBZKRGOBA-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)[C@@H](C)[N@H+](C)CCn1cc(N)ccc1=O ZINC000036786589 167367831 /nfs/dbraw/zinc/36/78/31/167367831.db2.gz MRWBPHIKVQKOGS-LLVKDONJSA-N 1 0 237.347 1.407 10 0 BDAERO CC(C)[C@@H](C)NC(=O)c1cccc(CC[NH3+])c1 ZINC000053661950 167379109 /nfs/dbraw/zinc/37/91/09/167379109.db2.gz WXEUMICVRGPMAO-LLVKDONJSA-N 1 0 234.343 1.962 10 0 BDAERO CC(C)[C@@H](C)[NH2+]CCn1nnc(-c2ccco2)n1 ZINC000053539248 167381525 /nfs/dbraw/zinc/38/15/25/167381525.db2.gz WWKIXJDDGRQTRF-SNVBAGLBSA-N 1 0 249.318 1.567 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000129448084 167383179 /nfs/dbraw/zinc/38/31/79/167383179.db2.gz RUDIEHXQHYPLLO-NXEZZACHSA-N 1 0 208.309 1.227 10 0 BDAERO CC(C)[C@@H](C)Nc1nccc(N(C)C)n1 ZINC000301673855 167388257 /nfs/dbraw/zinc/38/82/57/167388257.db2.gz GPLOTRRGCPKABJ-SECBINFHSA-N 1 0 208.309 1.999 10 0 BDAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049204014 167395659 /nfs/dbraw/zinc/39/56/59/167395659.db2.gz YNIQETIZJYZBCC-MJBXVCDLSA-N 1 0 242.407 1.856 10 0 BDAERO COC[C@@H](NC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000397465504 410924209 /nfs/dbraw/zinc/92/42/09/410924209.db2.gz SSOVTTDVMZLHAX-HTAVTVPLSA-N 1 0 240.347 1.045 10 0 BDAERO CC(C)[C@H]1C[NH2+]CCN1C1=NCCS1 ZINC000083347603 167492559 /nfs/dbraw/zinc/49/25/59/167492559.db2.gz ICYKYKGMHBIGGA-SECBINFHSA-N 1 0 213.350 1.019 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccccn1 ZINC000655499766 411036245 /nfs/dbraw/zinc/03/62/45/411036245.db2.gz PXZSLMPKWBEMGC-WCQYABFASA-N 1 0 249.358 1.502 10 0 BDAERO COc1cccnc1N[C@@H]1CCC[NH2+]C1 ZINC000107203739 411132752 /nfs/dbraw/zinc/13/27/52/411132752.db2.gz GABFVIUMLHUTAI-SECBINFHSA-N 1 0 207.277 1.254 10 0 BDAERO Cc1cc(CNC(=O)C2CCC([NH3+])CC2)no1 ZINC000044727140 411140190 /nfs/dbraw/zinc/14/01/90/411140190.db2.gz SHHGNPPWEGOMSA-UHFFFAOYSA-N 1 0 237.303 1.117 10 0 BDAERO COc1ccc2nc(NCC[NH3+])ccc2c1 ZINC000212127564 411144462 /nfs/dbraw/zinc/14/44/62/411144462.db2.gz RWBPFTSNBNGBSE-UHFFFAOYSA-N 1 0 217.272 1.614 10 0 BDAERO C[C@@H]([NH3+])CNc1nc2ccc(F)cc2n1C ZINC000212503305 411147447 /nfs/dbraw/zinc/14/74/47/411147447.db2.gz XSNPZXVGGNZDSD-SSDOTTSWSA-N 1 0 222.267 1.472 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(-c2cnccn2)no1 ZINC000109506990 411150970 /nfs/dbraw/zinc/15/09/70/411150970.db2.gz IDAMJWVJQDXMMA-QMMMGPOBSA-N 1 0 233.275 1.052 10 0 BDAERO CC1(C)[C@H]([NH2+]C2CC(CO)C2)[C@@H]2CCCO[C@H]21 ZINC000658356818 411157550 /nfs/dbraw/zinc/15/75/50/411157550.db2.gz PGTQUUGUYXRVJE-FQLQODGNSA-N 1 0 239.359 1.551 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1cscn1 ZINC000129013507 411203148 /nfs/dbraw/zinc/20/31/48/411203148.db2.gz KNSHFBBGKQYRFN-JTQLQIEISA-N 1 0 241.360 1.475 10 0 BDAERO Cc1ccncc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000129059879 411216870 /nfs/dbraw/zinc/21/68/70/411216870.db2.gz NQSBJPCHBBHEOV-SNVBAGLBSA-N 1 0 221.304 1.702 10 0 BDAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000658053236 411221727 /nfs/dbraw/zinc/22/17/27/411221727.db2.gz LFFQXNXIYLSEQV-OUAUKWLOSA-N 1 0 210.321 1.433 10 0 BDAERO COCC1(CN2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000310295431 411232784 /nfs/dbraw/zinc/23/27/84/411232784.db2.gz AKDKEJPIYZUGAA-CYBMUJFWSA-N 1 0 238.375 1.583 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCCCC(F)(F)F ZINC000129155844 411233223 /nfs/dbraw/zinc/23/32/23/411233223.db2.gz CNFNWAVUCBKODB-MRVPVSSYSA-N 1 0 240.269 1.819 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)CC1(O)CCCC1 ZINC000310466562 411238142 /nfs/dbraw/zinc/23/81/42/411238142.db2.gz ZSOXOZIXPMBXRM-OLZOCXBDSA-N 1 0 241.375 1.774 10 0 BDAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2c[nH]nc2N)C1 ZINC000616661394 411239824 /nfs/dbraw/zinc/23/98/24/411239824.db2.gz RHVHGPHCAFDUQN-VIFPVBQESA-N 1 0 238.335 1.206 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000047864591 411167347 /nfs/dbraw/zinc/16/73/47/411167347.db2.gz AUHJBEGKYVQHAZ-VHSXEESVSA-N 1 0 206.289 1.472 10 0 BDAERO COc1ccccc1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062887702 411328160 /nfs/dbraw/zinc/32/81/60/411328160.db2.gz ZGWPDHVAAUIOMN-CYBMUJFWSA-N 1 0 234.299 1.633 10 0 BDAERO Nc1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000616633626 411280709 /nfs/dbraw/zinc/28/07/09/411280709.db2.gz ORYGOGCNWRNBLO-LBPRGKRZSA-N 1 0 242.326 1.981 10 0 BDAERO C([C@@H]1CC[NH2+]C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000051890090 411286014 /nfs/dbraw/zinc/28/60/14/411286014.db2.gz XNTOFBBFFAAPSX-UPJWGTAASA-N 1 0 224.348 1.239 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCS1 ZINC000129483389 411291064 /nfs/dbraw/zinc/29/10/64/411291064.db2.gz FQHVACCLSFMNNH-AEJSXWLSSA-N 1 0 228.361 1.139 10 0 BDAERO C[NH2+][C@@H](C)Cc1noc([C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000656560980 411301410 /nfs/dbraw/zinc/30/14/10/411301410.db2.gz NUNGYMQQIWGTFE-QEYWKRMJSA-N 1 0 221.304 1.734 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)c1cccnc1 ZINC000658357158 411303414 /nfs/dbraw/zinc/30/34/14/411303414.db2.gz SDJYNWINMGZEIF-BMQDGWLCSA-N 1 0 206.289 1.503 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000655526975 411307074 /nfs/dbraw/zinc/30/70/74/411307074.db2.gz YCDRKXUTMBEHHS-RKDXNWHRSA-N 1 0 248.317 1.925 10 0 BDAERO CN(CC(C)(C)[NH3+])c1nnc(C(F)F)s1 ZINC000656608301 411307684 /nfs/dbraw/zinc/30/76/84/411307684.db2.gz CBLMTHFEYHTWBQ-UHFFFAOYSA-N 1 0 236.291 1.649 10 0 BDAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658240426 411308915 /nfs/dbraw/zinc/30/89/15/411308915.db2.gz AJDZOXJXSJLDOC-KZVDOYCCSA-N 1 0 238.375 1.879 10 0 BDAERO Cc1nccc(NCC2([NH3+])CCCC2)n1 ZINC000656610744 411308861 /nfs/dbraw/zinc/30/88/61/411308861.db2.gz QWVRWYFPQPWOEO-UHFFFAOYSA-N 1 0 206.293 1.468 10 0 BDAERO CN1C[C@H](C[NH2+][C@H]2CCC2(C)C)CC1=O ZINC000658239721 411309402 /nfs/dbraw/zinc/30/94/02/411309402.db2.gz NBXWHYAPKHMXMH-UWVGGRQHSA-N 1 0 210.321 1.243 10 0 BDAERO CC(C)c1nsc(N2CC3CC2(C[NH3+])C3)n1 ZINC000656611074 411309710 /nfs/dbraw/zinc/30/97/10/411309710.db2.gz SAGSBMSFBOOGAV-UHFFFAOYSA-N 1 0 238.360 1.589 10 0 BDAERO CCc1ncnc(NCC2([NH3+])CCCC2)c1F ZINC000656611049 411309842 /nfs/dbraw/zinc/30/98/42/411309842.db2.gz ZMKYVITZQUHEAU-UHFFFAOYSA-N 1 0 238.310 1.862 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccs1 ZINC000658243686 411309924 /nfs/dbraw/zinc/30/99/24/411309924.db2.gz FXERDUMLSZUDCG-NXEZZACHSA-N 1 0 238.356 1.877 10 0 BDAERO CN1C[C@@H](C[NH2+][C@H]2CCc3ccccc32)CC1=O ZINC000658245168 411310486 /nfs/dbraw/zinc/31/04/86/411310486.db2.gz PTTSFTVGDDVEQB-RISCZKNCSA-N 1 0 244.338 1.742 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402815011 411318152 /nfs/dbraw/zinc/31/81/52/411318152.db2.gz MGKIPSHKFQRTTD-XVIXHAIJSA-N 1 0 248.370 1.832 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402964678 411323579 /nfs/dbraw/zinc/32/35/79/411323579.db2.gz VTVKJGWCAYZYSS-LBELIVKGSA-N 1 0 234.343 1.537 10 0 BDAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cccc2cc[nH]c21 ZINC000310696655 411252692 /nfs/dbraw/zinc/25/26/92/411252692.db2.gz PQFAWEMZUXZERK-JOYOIKCWSA-N 1 0 243.310 1.730 10 0 BDAERO C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]1(C)C(=O)[O-] ZINC000652480401 411254659 /nfs/dbraw/zinc/25/46/59/411254659.db2.gz DYXFYOWLKIVASA-DGCLKSJQSA-N 1 0 240.347 1.410 10 0 BDAERO [NH3+][C@H](C(=O)N[C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000129363432 411254800 /nfs/dbraw/zinc/25/48/00/411254800.db2.gz AOJADTGCKFALGY-XQQFMLRXSA-N 1 0 248.326 1.106 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc2c(c1)OCO2 ZINC000658351007 411352361 /nfs/dbraw/zinc/35/23/61/411352361.db2.gz JNFAJXLPDQXNRS-BMQDGWLCSA-N 1 0 249.310 1.837 10 0 BDAERO CCCN(CC)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304235502 411355506 /nfs/dbraw/zinc/35/55/06/411355506.db2.gz MBXDHIAKBIKHPH-GFCCVEGCSA-N 1 0 230.396 1.715 10 0 BDAERO CCC[C@H](CCO)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000304247000 411355617 /nfs/dbraw/zinc/35/56/17/411355617.db2.gz PQXQBORACRZAGU-VXGBXAGGSA-N 1 0 231.380 1.782 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000659871961 411356782 /nfs/dbraw/zinc/35/67/82/411356782.db2.gz YEBFSLIQJMVRQI-QWRGUYRKSA-N 1 0 249.301 1.648 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000403796450 411359941 /nfs/dbraw/zinc/35/99/41/411359941.db2.gz GPFKVHSJRNURHA-WHOHXGKFSA-N 1 0 240.347 1.140 10 0 BDAERO CC1CC(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000658971281 411365267 /nfs/dbraw/zinc/36/52/67/411365267.db2.gz OZXBTLYARMXXFO-DJRKXVOMSA-N 1 0 210.321 1.228 10 0 BDAERO Cc1cc(C)cc(CNC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000659345211 411371890 /nfs/dbraw/zinc/37/18/90/411371890.db2.gz JTSITKBZFQSUGY-ZDUSSCGKSA-N 1 0 232.327 1.529 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968489 411336498 /nfs/dbraw/zinc/33/64/98/411336498.db2.gz YAQRKUHVEVXEFY-JHJVBQTASA-N 1 0 227.348 1.506 10 0 BDAERO CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)[C@H]2CCO[C@H]21 ZINC000300422457 168006474 /nfs/dbraw/zinc/00/64/74/168006474.db2.gz OCUIZYUNRLBCOR-NZEXEKPDSA-N 1 0 239.359 1.551 10 0 BDAERO COc1ccccc1N(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062116707 411348450 /nfs/dbraw/zinc/34/84/50/411348450.db2.gz AREJLJIXZCJXNZ-JTQLQIEISA-N 1 0 234.299 1.268 10 0 BDAERO CC1([NH2+][C@H]2CCOC[C@H]2N)CCCCC1 ZINC000091691218 168063605 /nfs/dbraw/zinc/06/36/05/168063605.db2.gz UGIKJLOXFBHPJV-MNOVXSKESA-N 1 0 212.337 1.415 10 0 BDAERO CC(C)(F)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000659361885 411377347 /nfs/dbraw/zinc/37/73/47/411377347.db2.gz SCHQLGFZQOKZNB-UWVGGRQHSA-N 1 0 230.327 1.616 10 0 BDAERO CC(C)(C)C[N@H+](CCO)C[C@@H]1CCC[C@H](O)C1 ZINC000659907789 411379270 /nfs/dbraw/zinc/37/92/70/411379270.db2.gz LJOJOWYCNOZKBJ-OLZOCXBDSA-N 1 0 243.391 1.878 10 0 BDAERO CC1CCN([C@@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000020075230 168186324 /nfs/dbraw/zinc/18/63/24/168186324.db2.gz QYDNIGDKLVLVLS-LBPRGKRZSA-N 1 0 222.336 1.152 10 0 BDAERO CCC(=O)Nc1nc(C[C@H](C)[NH3+])cs1 ZINC000076782772 168248726 /nfs/dbraw/zinc/24/87/26/168248726.db2.gz UYVHBHJEIMZMGK-LURJTMIESA-N 1 0 213.306 1.381 10 0 BDAERO CCC[C@@H](C)N(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000659270265 411385321 /nfs/dbraw/zinc/38/53/21/411385321.db2.gz VNVHUWVEHPODPR-YPMHNXCESA-N 1 0 242.363 1.402 10 0 BDAERO CCC(C)(C)C(=O)NC[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062037143 168265790 /nfs/dbraw/zinc/26/57/90/168265790.db2.gz HIMSELVGZJNGHH-QWRGUYRKSA-N 1 0 226.364 1.927 10 0 BDAERO CCC(C)(C)NC(=O)CN(CCC[NH3+])C1CC1 ZINC000049281635 168289376 /nfs/dbraw/zinc/28/93/76/168289376.db2.gz BLWJROAEUMJAFP-UHFFFAOYSA-N 1 0 241.379 1.104 10 0 BDAERO CCC(C)(C)NC(=O)C[NH2+]CC1CCOCC1 ZINC000104196045 168290347 /nfs/dbraw/zinc/29/03/47/168290347.db2.gz FPGWRVYMPHYFHJ-UHFFFAOYSA-N 1 0 242.363 1.307 10 0 BDAERO CCC(C)(C)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000336237500 168293042 /nfs/dbraw/zinc/29/30/42/168293042.db2.gz DIVZUHJDABQUCD-SNVBAGLBSA-N 1 0 227.352 1.616 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000019519439 168294817 /nfs/dbraw/zinc/29/48/17/168294817.db2.gz WFPOVBYFVSGAEK-UWVGGRQHSA-N 1 0 212.337 1.679 10 0 BDAERO CCC(C)(C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1=O ZINC000102665131 168302157 /nfs/dbraw/zinc/30/21/57/168302157.db2.gz HCXJIGAOSQCXHR-SECBINFHSA-N 1 0 226.320 1.301 10 0 BDAERO Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCO2)n1C ZINC000657308811 411457909 /nfs/dbraw/zinc/45/79/09/411457909.db2.gz CCOOIACPKVODEQ-CABZTGNLSA-N 1 0 223.320 1.386 10 0 BDAERO O=C(NCC1=CCCC1)[C@H]1CCC[NH2+]C1 ZINC000659380061 411395126 /nfs/dbraw/zinc/39/51/26/411395126.db2.gz WGPWHCLYBLDJPA-NSHDSACASA-N 1 0 208.305 1.213 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC1C[C@@H](C)C[C@H](C)C1 ZINC000659343158 411399399 /nfs/dbraw/zinc/39/93/99/411399399.db2.gz MNOCCGUAWIGQFE-GARJFASQSA-N 1 0 226.364 1.783 10 0 BDAERO COC[C@@]1(C(=O)NCCC(C)(C)F)CCC[NH2+]1 ZINC000659362047 411403992 /nfs/dbraw/zinc/40/39/92/411403992.db2.gz VAGADAUSSBODPV-GFCCVEGCSA-N 1 0 246.326 1.009 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCCC2CCC2)C1 ZINC000659362810 411404433 /nfs/dbraw/zinc/40/44/33/411404433.db2.gz XJTPAMKVZGGHBU-NEPJUHHUSA-N 1 0 224.348 1.810 10 0 BDAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCCC1 ZINC000653055549 411407193 /nfs/dbraw/zinc/40/71/93/411407193.db2.gz HANJQHJOEOXRGO-HTQZYQBOSA-N 1 0 236.237 1.007 10 0 BDAERO CC(=O)[C@H]1c2ccccc2CCN1CC[NH3+] ZINC000616678143 411413196 /nfs/dbraw/zinc/41/31/96/411413196.db2.gz ABHBXMSZDFEYQY-ZDUSSCGKSA-N 1 0 218.300 1.134 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000070533078 411440340 /nfs/dbraw/zinc/44/03/40/411440340.db2.gz AZMARVILIBBNKY-SKDRFNHKSA-N 1 0 218.300 1.326 10 0 BDAERO CC(C)C[C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C ZINC000128906097 411441684 /nfs/dbraw/zinc/44/16/84/411441684.db2.gz ZDDDSJQUPCYNTA-WDEREUQCSA-N 1 0 214.353 1.911 10 0 BDAERO CC(C)C[C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128905466 411446409 /nfs/dbraw/zinc/44/64/09/411446409.db2.gz ZDDDSJQUPCYNTA-MNOVXSKESA-N 1 0 214.353 1.911 10 0 BDAERO CC(C)C[C@H](C)NC(=O)C[C@H]([NH3+])C(C)C ZINC000128905717 411446411 /nfs/dbraw/zinc/44/64/11/411446411.db2.gz ZDDDSJQUPCYNTA-QWRGUYRKSA-N 1 0 214.353 1.911 10 0 BDAERO CCN(Cc1ccccc1C)C(=O)C1C[NH2+]C1 ZINC000091406919 169916898 /nfs/dbraw/zinc/91/68/98/169916898.db2.gz BQAKZRZXLJPRFT-UHFFFAOYSA-N 1 0 232.327 1.563 10 0 BDAERO CCN(Cc1ccco1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037502049 169921904 /nfs/dbraw/zinc/92/19/04/169921904.db2.gz AZPQJMHOLBANKH-NSHDSACASA-N 1 0 222.288 1.380 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)CO1 ZINC000657358918 411475698 /nfs/dbraw/zinc/47/56/98/411475698.db2.gz HTHQLUMLYUYQTA-HBNTYKKESA-N 1 0 215.337 1.551 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407272028 411476596 /nfs/dbraw/zinc/47/65/96/411476596.db2.gz PXFZBYNEEWKTCV-DQDDRIPDSA-N 1 0 208.305 1.042 10 0 BDAERO CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407288427 411476944 /nfs/dbraw/zinc/47/69/44/411476944.db2.gz XBTSGLWDKACXNF-LPWJVIDDSA-N 1 0 236.359 1.822 10 0 BDAERO OCC[N@H+](CC1CC1)C[C@H]1CCC[C@H](O)C1 ZINC000659858987 411480324 /nfs/dbraw/zinc/48/03/24/411480324.db2.gz WBCNGFGPIKXPBH-STQMWFEESA-N 1 0 227.348 1.242 10 0 BDAERO Cc1ncc(C[NH2+][C@H]2CCCC[C@@H]2CO)n1C ZINC000657369902 411483461 /nfs/dbraw/zinc/48/34/61/411483461.db2.gz IPCYSOTURYEMKN-YPMHNXCESA-N 1 0 237.347 1.369 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2ccc[nH]2)C1 ZINC000051789464 169967526 /nfs/dbraw/zinc/96/75/26/169967526.db2.gz KRIBVLQXYNUZJR-GFCCVEGCSA-N 1 0 207.321 1.589 10 0 BDAERO CC(C)n1ccnc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000657327594 411465812 /nfs/dbraw/zinc/46/58/12/411465812.db2.gz WTAWSHMUISPIOW-NWDGAFQWSA-N 1 0 237.347 1.857 10 0 BDAERO CCN1C[C@@H](C)[C@@H]([NH2+]C2CCOCC2)C1 ZINC000309031347 170030817 /nfs/dbraw/zinc/03/08/17/170030817.db2.gz DYPXRPRAHOHIJZ-PWSUYJOCSA-N 1 0 212.337 1.095 10 0 BDAERO CCN1C[C@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000309648563 170034672 /nfs/dbraw/zinc/03/46/72/170034672.db2.gz NFBHLOYJEYNESC-XQQFMLRXSA-N 1 0 226.364 1.343 10 0 BDAERO CCN1C[C@H]([NH2+]C[C@@H](OC)C2CC2)[C@@H](C)C1 ZINC000339526792 170035901 /nfs/dbraw/zinc/03/59/01/170035901.db2.gz FDKYGFORJRDZEL-WCFLWFBJSA-N 1 0 226.364 1.341 10 0 BDAERO CCN1C[C@H]([NH2+]C[C@H]2CCSC2)[C@@H](C)C1 ZINC000336761636 170037529 /nfs/dbraw/zinc/03/75/29/170037529.db2.gz MWAUFLFAXRKJJG-TUAOUCFPSA-N 1 0 228.405 1.669 10 0 BDAERO CCN1C[C@H]([NH2+][C@H]2CCCOCC2)[C@@H](C)C1 ZINC000309950053 170037658 /nfs/dbraw/zinc/03/76/58/170037658.db2.gz FSCPLAQIWOMCEO-AVGNSLFASA-N 1 0 226.364 1.485 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cn[nH]c2)C1 ZINC000309982171 170038347 /nfs/dbraw/zinc/03/83/47/170038347.db2.gz WPLNDVAFJFAYIF-JBLDHEPKSA-N 1 0 222.336 1.401 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000309942304 170038499 /nfs/dbraw/zinc/03/84/99/170038499.db2.gz BZYRNICTPNMGTK-RWMBFGLXSA-N 1 0 228.380 1.467 10 0 BDAERO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CCCCO)C1 ZINC000309942306 170040256 /nfs/dbraw/zinc/04/02/56/170040256.db2.gz BZYRNICTPNMGTK-YNEHKIRRSA-N 1 0 228.380 1.467 10 0 BDAERO CCNC(=[NH2+])N1CCc2nc[nH]c2[C@H]1CC ZINC000045806337 170041961 /nfs/dbraw/zinc/04/19/61/170041961.db2.gz ADYLVPJKNVHFQR-SECBINFHSA-N 1 0 221.308 1.263 10 0 BDAERO CCNC(=O)C[N@H+](CC)Cc1cccc(N)c1C ZINC000042367469 170056986 /nfs/dbraw/zinc/05/69/86/170056986.db2.gz REOHTFGXMJXWSM-UHFFFAOYSA-N 1 0 249.358 1.535 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000657526022 411543031 /nfs/dbraw/zinc/54/30/31/411543031.db2.gz XVTHIRNUOWTZJI-SNVBAGLBSA-N 1 0 242.681 1.457 10 0 BDAERO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000095829468 170083281 /nfs/dbraw/zinc/08/32/81/170083281.db2.gz OSWFFUYJWDTTJM-MRVPVSSYSA-N 1 0 237.307 1.018 10 0 BDAERO CCNC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000034978091 170084016 /nfs/dbraw/zinc/08/40/16/170084016.db2.gz ZYWBCQYWSPLUPF-QMMMGPOBSA-N 1 0 207.277 1.848 10 0 BDAERO CCNC(=O)[C@@H](C)n1c(N)[nH+]c2cc(C)ccc21 ZINC000049220721 170089691 /nfs/dbraw/zinc/08/96/91/170089691.db2.gz RCJDWTFCEQPUAT-SECBINFHSA-N 1 0 246.314 1.624 10 0 BDAERO CCNC(=O)[C@@H](C[NH3+])Cc1cccc(F)c1F ZINC000104244751 170089696 /nfs/dbraw/zinc/08/96/96/170089696.db2.gz PNNBETJUNVSDDC-SECBINFHSA-N 1 0 242.269 1.218 10 0 BDAERO CCNC(=O)[C@H](C)n1c(N)[nH+]c2ccccc21 ZINC000049220652 170097882 /nfs/dbraw/zinc/09/78/82/170097882.db2.gz WGZRYOWZODFNGY-QMMMGPOBSA-N 1 0 232.287 1.316 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)Nc1ccncc1 ZINC000061287844 170107455 /nfs/dbraw/zinc/10/74/55/170107455.db2.gz GZNLQXHOTZNIBT-UHFFFAOYSA-N 1 0 207.277 1.408 10 0 BDAERO CC[NH2+]C(C)(C)c1nnc2ccccn21 ZINC000061151275 170107551 /nfs/dbraw/zinc/10/75/51/170107551.db2.gz VBMUFIKHPHVDGC-UHFFFAOYSA-N 1 0 204.277 1.574 10 0 BDAERO CC[NH2+]C1CCN(c2nccc(C)n2)CC1 ZINC000061858410 170109351 /nfs/dbraw/zinc/10/93/51/170109351.db2.gz BXRUFTGVWGLTPS-UHFFFAOYSA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+]CC1CCN(c2cccnn2)CC1 ZINC000053664494 170111971 /nfs/dbraw/zinc/11/19/71/170111971.db2.gz FMGQFIHABMNUKD-UHFFFAOYSA-N 1 0 220.320 1.303 10 0 BDAERO CC[NH2+]CCC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000061289534 170112001 /nfs/dbraw/zinc/11/20/01/170112001.db2.gz TWEMAROFFLPFLU-CYBMUJFWSA-N 1 0 247.342 1.745 10 0 BDAERO CC[NH2+]CCCCc1ccc2c(c1)NC(=O)CO2 ZINC000098128408 170112616 /nfs/dbraw/zinc/11/26/16/170112616.db2.gz XUHYOQORNFGEFZ-UHFFFAOYSA-N 1 0 248.326 1.950 10 0 BDAERO CC[NH2+]CCCc1cnn(-c2ccc(C)nn2)c1 ZINC000054680935 170113618 /nfs/dbraw/zinc/11/36/18/170113618.db2.gz RRDSLYZTUYNFBK-UHFFFAOYSA-N 1 0 245.330 1.513 10 0 BDAERO CC[NH2+]CCn1c2ccccc2nc(C)c1=O ZINC000052099114 170117905 /nfs/dbraw/zinc/11/79/05/170117905.db2.gz FPPFJAVGMPNUSA-UHFFFAOYSA-N 1 0 231.299 1.314 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)N(C)[C@H](C)CC ZINC000061229132 170117915 /nfs/dbraw/zinc/11/79/15/170117915.db2.gz ZJRTXSCJJWPIQZ-NXEZZACHSA-N 1 0 200.326 1.489 10 0 BDAERO CC[NH2+]C[C@@H](O)COc1ccc(CC)cc1 ZINC000032014552 170119176 /nfs/dbraw/zinc/11/91/76/170119176.db2.gz NAEUWQAFMXGHDK-GFCCVEGCSA-N 1 0 223.316 1.598 10 0 BDAERO CC[NH2+]C[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000053696306 170119629 /nfs/dbraw/zinc/11/96/29/170119629.db2.gz LRMFDYRVUGGGJX-LBPRGKRZSA-N 1 0 234.347 1.611 10 0 BDAERO CC[NH2+]C[C@@H](O)c1ccc(OC)cc1OC ZINC000032014969 170120090 /nfs/dbraw/zinc/12/00/90/170120090.db2.gz ODGGUZXJLRDQJE-LLVKDONJSA-N 1 0 225.288 1.347 10 0 BDAERO CC[NH2+]C[C@@H](O)c1cc(C)c(OC)cc1C ZINC000049819416 170120294 /nfs/dbraw/zinc/12/02/94/170120294.db2.gz ZCOAYUUNIJKKIQ-GFCCVEGCSA-N 1 0 223.316 1.955 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000061265927 170120647 /nfs/dbraw/zinc/12/06/47/170120647.db2.gz LOQBPKOJGHQMNA-RYUDHWBXSA-N 1 0 249.358 1.847 10 0 BDAERO CC[NH2+]C[C@H](C)C(=O)N(CC)Cc1ccncc1 ZINC000061265860 170120800 /nfs/dbraw/zinc/12/08/00/170120800.db2.gz YBVZCSZGCXDDSW-LBPRGKRZSA-N 1 0 249.358 1.676 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1cc(C)ccc1OC ZINC000032014655 170120980 /nfs/dbraw/zinc/12/09/80/170120980.db2.gz WYSFYYANQWIVOE-CYBMUJFWSA-N 1 0 223.316 1.821 10 0 BDAERO CC[NH2+]C[C@H](C)N1CCCSCC1 ZINC000052370978 170121587 /nfs/dbraw/zinc/12/15/87/170121587.db2.gz WRQAJDRTZUPILZ-JTQLQIEISA-N 1 0 202.367 1.423 10 0 BDAERO CC[NH2+]C[C@H](C)n1nnc2ccccc21 ZINC000052576735 170121797 /nfs/dbraw/zinc/12/17/97/170121797.db2.gz VZMLJECLCGKZTH-VIFPVBQESA-N 1 0 204.277 1.602 10 0 BDAERO CC[NH2+]C[C@H](O)Cc1ccc(Cl)cc1 ZINC000071518928 170122447 /nfs/dbraw/zinc/12/24/47/170122447.db2.gz NOKJELSNUPSKSN-LLVKDONJSA-N 1 0 213.708 1.853 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1ccc(F)cn1 ZINC000053697018 170122841 /nfs/dbraw/zinc/12/28/41/170122841.db2.gz FTJDXJRYWQTUMK-LLVKDONJSA-N 1 0 223.295 1.799 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1ccc2c(c1)OCCO2 ZINC000033466040 170123427 /nfs/dbraw/zinc/12/34/27/170123427.db2.gz KXQOUZDBAGYZDF-ZDUSSCGKSA-N 1 0 237.299 1.275 10 0 BDAERO CC[NH2+]C[C@](C)(O)c1cc(F)ccc1F ZINC000055032781 170123851 /nfs/dbraw/zinc/12/38/51/170123851.db2.gz LBUSLMNIHHHFPP-NSHDSACASA-N 1 0 215.243 1.782 10 0 BDAERO CC[NH2+]Cc1cc(C)ccc1OCCC(N)=O ZINC000071403835 170125735 /nfs/dbraw/zinc/12/57/35/170125735.db2.gz UEBGXQLHSZUGLL-UHFFFAOYSA-N 1 0 236.315 1.359 10 0 BDAERO CC[NH2+]Cc1ccccc1N(CCO)C1CC1 ZINC000042480339 170128403 /nfs/dbraw/zinc/12/84/03/170128403.db2.gz QSGWNYOWPNGZJH-UHFFFAOYSA-N 1 0 234.343 1.757 10 0 BDAERO CC[NH2+]Cc1cccc(-n2ccc(C)n2)n1 ZINC000052885097 170128521 /nfs/dbraw/zinc/12/85/21/170128521.db2.gz PIEGYUWLJAJFMU-UHFFFAOYSA-N 1 0 216.288 1.685 10 0 BDAERO CC[NH2+]Cc1ccnc(Cc2nc(C)cs2)n1 ZINC000055269930 170129222 /nfs/dbraw/zinc/12/92/22/170129222.db2.gz MRUVSOHXQRSUPI-UHFFFAOYSA-N 1 0 248.355 1.942 10 0 BDAERO CC[NH2+]Cc1cnn([C@@H]2CCC[C@H]2O)c1C ZINC000054599557 170130461 /nfs/dbraw/zinc/13/04/61/170130461.db2.gz YQBJIXQJLQDCEO-VXGBXAGGSA-N 1 0 223.320 1.387 10 0 BDAERO CC[NH2+]Cc1cnc(Cc2nc(C)cs2)nc1 ZINC000055269956 170130635 /nfs/dbraw/zinc/13/06/35/170130635.db2.gz OBDVOUONDXFFMF-UHFFFAOYSA-N 1 0 248.355 1.942 10 0 BDAERO CC[NH2+]Cc1cnn([C@H]2CCCC[C@H]2O)c1 ZINC000054600004 170130743 /nfs/dbraw/zinc/13/07/43/170130743.db2.gz JARFRMXUMZGKKT-NWDGAFQWSA-N 1 0 223.320 1.469 10 0 BDAERO CC[NH2+]Cc1cnn([C@H]2CCCCC[C@@H]2O)c1 ZINC000054600468 170130879 /nfs/dbraw/zinc/13/08/79/170130879.db2.gz IPVANFXABDLLGH-STQMWFEESA-N 1 0 237.347 1.859 10 0 BDAERO CC[NH2+]Cc1cnn([C@H]2CCC[C@@H]2O)c1C ZINC000054599556 170131053 /nfs/dbraw/zinc/13/10/53/170131053.db2.gz YQBJIXQJLQDCEO-RYUDHWBXSA-N 1 0 223.320 1.387 10 0 BDAERO CC[NH2+]Cc1cnc(-c2nc[nH]n2)s1 ZINC000040996601 170131082 /nfs/dbraw/zinc/13/10/82/170131082.db2.gz RKZYVHNIMUNCJS-UHFFFAOYSA-N 1 0 209.278 1.038 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1ccc(F)cc1F ZINC000054744937 170131500 /nfs/dbraw/zinc/13/15/00/170131500.db2.gz WUTTWHOTAHQZKS-UHFFFAOYSA-N 1 0 239.229 1.050 10 0 BDAERO CCNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000021019202 170136859 /nfs/dbraw/zinc/13/68/59/170136859.db2.gz CYQXCSCOMXYIOD-MRVPVSSYSA-N 1 0 228.317 1.005 10 0 BDAERO CCNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000021810507 170137264 /nfs/dbraw/zinc/13/72/64/170137264.db2.gz REPUCXQSGASHTQ-MRVPVSSYSA-N 1 0 228.317 1.005 10 0 BDAERO CC[NH2+][C@@H](C(N)=O)c1ccc(C)c(C)c1 ZINC000037869549 170138182 /nfs/dbraw/zinc/13/81/82/170138182.db2.gz PKKJPEYSAVVAGU-LLVKDONJSA-N 1 0 206.289 1.439 10 0 BDAERO CC[NH2+][C@@H](C)c1ccccc1O[C@@H](C)C(N)=O ZINC000034820819 170141981 /nfs/dbraw/zinc/14/19/81/170141981.db2.gz BAGILGBKHOOCSA-UWVGGRQHSA-N 1 0 236.315 1.610 10 0 BDAERO CC[NH2+][C@@H](C1=CCCC1)[C@H]1COCCO1 ZINC000055301309 170142594 /nfs/dbraw/zinc/14/25/94/170142594.db2.gz XMXRHFOZXAYATC-NEPJUHHUSA-N 1 0 211.305 1.490 10 0 BDAERO CC[NH2+][C@H](c1cnn(C)c1)c1cccnc1 ZINC000035555699 170148841 /nfs/dbraw/zinc/14/88/41/170148841.db2.gz FCHINAZITWCURJ-LBPRGKRZSA-N 1 0 216.288 1.514 10 0 BDAERO CC[NH2+][C@@H](c1ccco1)[C@@H]1COCCO1 ZINC000055301156 170148881 /nfs/dbraw/zinc/14/88/81/170148881.db2.gz AYBBILNZPAVDLS-QWRGUYRKSA-N 1 0 211.261 1.346 10 0 BDAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccco1 ZINC000035555458 170149405 /nfs/dbraw/zinc/14/94/05/170149405.db2.gz DJHBTSALSGHLGM-NSHDSACASA-N 1 0 205.261 1.712 10 0 BDAERO CC[NH2+][C@@H]1CCN(C2CCC(C)CC2)C1=O ZINC000049647901 170152057 /nfs/dbraw/zinc/15/20/57/170152057.db2.gz DCEYOAIDCLVPHM-HTAVTVPLSA-N 1 0 224.348 1.776 10 0 BDAERO CC[NH2+][C@@H]1CCOC[C@H]1n1ccnc1C ZINC000043993856 170152786 /nfs/dbraw/zinc/15/27/86/170152786.db2.gz XRBFWFZODTUCOE-GHMZBOCLSA-N 1 0 209.293 1.131 10 0 BDAERO CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(C)cc21 ZINC000035762045 170152855 /nfs/dbraw/zinc/15/28/55/170152855.db2.gz XXJCRTAMEKWIAO-LLVKDONJSA-N 1 0 239.340 1.823 10 0 BDAERO CC[NH2+][C@@H]1CCN([C@H](C)c2ccncc2)C1=O ZINC000049648741 170153098 /nfs/dbraw/zinc/15/30/98/170153098.db2.gz XXPMPMWFTVLHQR-ZYHUDNBSSA-N 1 0 233.315 1.353 10 0 BDAERO CCN[C@@H]1c2cccc(F)c2S(=O)(=O)[C@@H]1C ZINC000043636548 170155167 /nfs/dbraw/zinc/15/51/67/170155167.db2.gz MMJABFWJTZIBJH-XCBNKYQSSA-N 1 0 243.303 1.652 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1cccc(Cl)c1 ZINC000037869649 170155856 /nfs/dbraw/zinc/15/58/56/170155856.db2.gz HMJADUBYZIIVNR-VIFPVBQESA-N 1 0 212.680 1.476 10 0 BDAERO CC[NH2+][C@@]1(CN)CCc2ccccc2C1 ZINC000050270333 170156050 /nfs/dbraw/zinc/15/60/50/170156050.db2.gz HBHOJXVWNYUOET-ZDUSSCGKSA-N 1 0 204.317 1.482 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)NC1(CO)CCCCC1 ZINC000061274776 170156866 /nfs/dbraw/zinc/15/68/66/170156866.db2.gz VFAPQSUPQPTDFI-LLVKDONJSA-N 1 0 242.363 1.186 10 0 BDAERO CC[NH2+][C@H](C)C(=O)c1ccc(OC)cc1OC ZINC000071547790 170157204 /nfs/dbraw/zinc/15/72/04/170157204.db2.gz LLMGWNXODANNKT-SECBINFHSA-N 1 0 237.299 1.885 10 0 BDAERO CC[NH2+][C@H](c1ccccc1)[C@@H]1COCCO1 ZINC000055299903 170163824 /nfs/dbraw/zinc/16/38/24/170163824.db2.gz ACCPNRNLOYMADT-QWHCGFSZSA-N 1 0 221.300 1.753 10 0 BDAERO O[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000660148314 411546076 /nfs/dbraw/zinc/54/60/76/411546076.db2.gz UFZRGFLUJCLQPL-IWSPIJDZSA-N 1 0 205.248 1.487 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2cccc(OC)c2)C1 ZINC000038077986 170167449 /nfs/dbraw/zinc/16/74/49/170167449.db2.gz AWUGEBGHQVXJBA-ZDUSSCGKSA-N 1 0 234.343 1.879 10 0 BDAERO CC[NH2+][C@H]1CCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000051086786 170167986 /nfs/dbraw/zinc/16/79/86/170167986.db2.gz QQEZKTUIGGMRHH-KBPBESRZSA-N 1 0 246.354 1.674 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2nccs2)C[C@@H]1C ZINC000049714062 170168300 /nfs/dbraw/zinc/16/83/00/170168300.db2.gz ANRFYMFSKLECEB-QWRGUYRKSA-N 1 0 239.388 1.963 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@H]1n1ccnc1C ZINC000043993858 170168823 /nfs/dbraw/zinc/16/88/23/170168823.db2.gz XRBFWFZODTUCOE-WDEREUQCSA-N 1 0 209.293 1.131 10 0 BDAERO CC[NH2+][C@H]1C[C@@H](C)S(=O)(=O)c2ccccc21 ZINC000035760618 170169492 /nfs/dbraw/zinc/16/94/92/170169492.db2.gz KAOVCPXFAMDGOZ-KOLCDFICSA-N 1 0 239.340 1.903 10 0 BDAERO CC[NH2+][C@](C)(Cc1ccc(OC)cc1)C(N)=O ZINC000071169626 170170782 /nfs/dbraw/zinc/17/07/82/170170782.db2.gz YHIVFHYUHKLZIU-CYBMUJFWSA-N 1 0 236.315 1.091 10 0 BDAERO CC[NH2+][C@]1(C(N)=O)CCSc2ccccc21 ZINC000037869521 170170899 /nfs/dbraw/zinc/17/08/99/170170899.db2.gz VBPALDMRKWRFDF-GFCCVEGCSA-N 1 0 236.340 1.473 10 0 BDAERO CCOC(=O)C(F)(F)C[C@@H]([NH3+])CC(C)C ZINC000091691005 170187973 /nfs/dbraw/zinc/18/79/73/170187973.db2.gz PLPMKVKJSSLVPM-QMMMGPOBSA-N 1 0 223.263 1.948 10 0 BDAERO CCOC(=O)C1CC[NH+](CC2(O)CCC2)CC1 ZINC000341367407 170193241 /nfs/dbraw/zinc/19/32/41/170193241.db2.gz HUJSKVWSBNSDLM-UHFFFAOYSA-N 1 0 241.331 1.177 10 0 BDAERO COC[C@@H]1CCCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000660292384 411565952 /nfs/dbraw/zinc/56/59/52/411565952.db2.gz IAOJQMWLEKLULZ-JHJVBQTASA-N 1 0 227.348 1.648 10 0 BDAERO CCOC(=O)COc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745635 170228828 /nfs/dbraw/zinc/22/88/28/170228828.db2.gz FSZDHRYDTHGRFN-QMMMGPOBSA-N 1 0 241.262 1.787 10 0 BDAERO CCOC(=O)COc1ccc(C[C@H](C)[NH3+])cc1 ZINC000037723707 170229223 /nfs/dbraw/zinc/22/92/23/170229223.db2.gz MACQTSDGYZBVLE-JTQLQIEISA-N 1 0 237.299 1.518 10 0 BDAERO CCOC(=O)C[C@H]1[NH2+]CCc2ccc(OC)cc21 ZINC000040435329 170234329 /nfs/dbraw/zinc/23/43/29/170234329.db2.gz HFXHISVDFNVEKF-CYBMUJFWSA-N 1 0 249.310 1.835 10 0 BDAERO CCOC(=O)C[C@H]1[NH2+]CCc2c(O)cccc21 ZINC000040435331 170234391 /nfs/dbraw/zinc/23/43/91/170234391.db2.gz UYKCRTPXXWROGJ-LLVKDONJSA-N 1 0 235.283 1.532 10 0 BDAERO CCOC(=O)Cn1c(C)cc2c1CCC[C@@H]2[NH3+] ZINC000041731555 170237255 /nfs/dbraw/zinc/23/72/55/170237255.db2.gz VSMVHIAYPGBZFN-NSHDSACASA-N 1 0 236.315 1.696 10 0 BDAERO CCOC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000034371072 170240092 /nfs/dbraw/zinc/24/00/92/170240092.db2.gz LMBHFRKOOBDTIT-QMMMGPOBSA-N 1 0 200.282 1.202 10 0 BDAERO CCOC(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000035691142 170242346 /nfs/dbraw/zinc/24/23/46/170242346.db2.gz YHDZCEDTUPBZRG-IUCAKERBSA-N 1 0 200.282 1.263 10 0 BDAERO CCOC(=O)NC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062037347 170242684 /nfs/dbraw/zinc/24/26/84/170242684.db2.gz HIGWAIOCWGYROK-DTWKUNHWSA-N 1 0 200.282 1.121 10 0 BDAERO CCOC(=O)N[C@H](C[NH3+])c1c(F)cccc1F ZINC000019415313 170243500 /nfs/dbraw/zinc/24/35/00/170243500.db2.gz PIVBNRQYHUKIGD-SECBINFHSA-N 1 0 244.241 1.711 10 0 BDAERO CCOC(=O)[C@@H](C[NH3+])Cc1cc(F)cc(F)c1 ZINC000076160008 170251889 /nfs/dbraw/zinc/25/18/89/170251889.db2.gz ZTGPDDILXDHROO-SECBINFHSA-N 1 0 243.253 1.645 10 0 BDAERO CCOC(=O)[C@H](C)C[NH2+]Cc1ncccc1C ZINC000071340088 170264573 /nfs/dbraw/zinc/26/45/73/170264573.db2.gz HINKEJPFFDZLBH-LLVKDONJSA-N 1 0 236.315 1.679 10 0 BDAERO CCOC(=O)[C@H](C)NCCCC[N@H+](C)C(C)C ZINC000045699486 170267756 /nfs/dbraw/zinc/26/77/56/170267756.db2.gz NUANRRXCYWKXBV-LBPRGKRZSA-N 1 0 244.379 1.648 10 0 BDAERO CCOC(=O)[C@H]1CC(C)(C)S[C@H]1[NH3+] ZINC000039085271 170278669 /nfs/dbraw/zinc/27/86/69/170278669.db2.gz YCWQMFBKHOYJJH-NKWVEPMBSA-N 1 0 203.307 1.366 10 0 BDAERO CCOC(=O)[C@H]1CC[C@H]([NH3+])c2occc21 ZINC000091305125 170281666 /nfs/dbraw/zinc/28/16/66/170281666.db2.gz IZUBBZMSOLADMA-IUCAKERBSA-N 1 0 209.245 1.720 10 0 BDAERO CCOC(=O)[C@](C)(C1CC1)N1CCC[NH2+]CC1 ZINC000037959551 170282682 /nfs/dbraw/zinc/28/26/82/170282682.db2.gz JXTACEFXVLMNOU-ZDUSSCGKSA-N 1 0 240.347 1.014 10 0 BDAERO CCOC(=O)c1ccc(CC[C@@H](O)C[NH3+])s1 ZINC000034434467 170295343 /nfs/dbraw/zinc/29/53/43/170295343.db2.gz MWKRJELNBCSJGI-MRVPVSSYSA-N 1 0 243.328 1.177 10 0 BDAERO CCOC(=O)c1ccc(NCCC[NH3+])nc1 ZINC000019473504 170296991 /nfs/dbraw/zinc/29/69/91/170296991.db2.gz XCWYFAXJJMUKDF-UHFFFAOYSA-N 1 0 223.276 1.019 10 0 BDAERO CCOC(=O)c1cccc(NC(=O)C[NH2+]C)c1 ZINC000040855394 170298652 /nfs/dbraw/zinc/29/86/52/170298652.db2.gz CUQOPSQCUGNIAP-UHFFFAOYSA-N 1 0 236.271 1.021 10 0 BDAERO CCOC(CC[NH+]1CCC(OC)CC1)OCC ZINC000104365627 170314938 /nfs/dbraw/zinc/31/49/38/170314938.db2.gz OJAOAJXXLKKOMY-UHFFFAOYSA-N 1 0 245.363 1.886 10 0 BDAERO CCOC1CCN(C(C)(C)C[NH3+])CC1 ZINC000040678825 170332256 /nfs/dbraw/zinc/33/22/56/170332256.db2.gz BLYBLBJOTYKUPB-UHFFFAOYSA-N 1 0 200.326 1.225 10 0 BDAERO Cc1c(C[NH2+]C[C@H]2CCC[C@H](C)O2)cnn1C ZINC000657669441 411574695 /nfs/dbraw/zinc/57/46/95/411574695.db2.gz ZFLUNMGMXQOFPD-GXFFZTMASA-N 1 0 237.347 1.776 10 0 BDAERO CCOCC(=O)N1CCCC[C@H]1CC[NH+](C)C ZINC000065288698 170340051 /nfs/dbraw/zinc/34/00/51/170340051.db2.gz WCQOKJLSAODKEP-LBPRGKRZSA-N 1 0 242.363 1.356 10 0 BDAERO CCOCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189678 170340549 /nfs/dbraw/zinc/34/05/49/170340549.db2.gz JBRFVBQHBODZSY-RYUDHWBXSA-N 1 0 240.347 1.156 10 0 BDAERO Cc1c(C[NH2+]CCC(C)(C)F)cnn1C ZINC000657645236 411569182 /nfs/dbraw/zinc/56/91/82/411569182.db2.gz OYMRGNDRKAXHHZ-UHFFFAOYSA-N 1 0 213.300 1.956 10 0 BDAERO CCOCCCNC(=O)[C@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055123954 170378896 /nfs/dbraw/zinc/37/88/96/170378896.db2.gz PYUBTIFHFSANRS-SRVKXCTJSA-N 1 0 242.363 1.293 10 0 BDAERO CCOCCC[NH2+]CCN(CC)CC ZINC000020054944 170380163 /nfs/dbraw/zinc/38/01/63/170380163.db2.gz UDKTVDGLUGCBFZ-UHFFFAOYSA-N 1 0 202.342 1.344 10 0 BDAERO CCOCCC[NH2+]CCN1C[C@H](C)C[C@H](C)C1 ZINC000053344543 170380379 /nfs/dbraw/zinc/38/03/79/170380379.db2.gz NPTAIGVYGMQYPP-OKILXGFUSA-N 1 0 242.407 1.981 10 0 BDAERO CCOCCC[NH2+][C@H](C)C(=O)NC(CC)CC ZINC000034938525 170382447 /nfs/dbraw/zinc/38/24/47/170382447.db2.gz CGPOTBPISADLGZ-LLVKDONJSA-N 1 0 244.379 1.696 10 0 BDAERO CCOCCCn1c(C[NH3+])nc2cccnc21 ZINC000098125900 170385335 /nfs/dbraw/zinc/38/53/35/170385335.db2.gz YXNOZDIWTCLMKZ-UHFFFAOYSA-N 1 0 234.303 1.317 10 0 BDAERO CCOCCN(CC)Cc1cc(C[NH2+]C)no1 ZINC000104190904 170394636 /nfs/dbraw/zinc/39/46/36/170394636.db2.gz ZHUVHZPOYBIGAZ-UHFFFAOYSA-N 1 0 241.335 1.252 10 0 BDAERO CCOCC[NH2+]C[C@H](O)COCCCC(C)C ZINC000037892855 170411773 /nfs/dbraw/zinc/41/17/73/170411773.db2.gz ZNRAKMBTWGYWMI-ZDUSSCGKSA-N 1 0 247.379 1.426 10 0 BDAERO Cc1ccc(C)c(C[NH2+]C[C@H]2CC(=O)N(C)C2)c1 ZINC000657693424 411579946 /nfs/dbraw/zinc/57/99/46/411579946.db2.gz CKYWLORSDHATCU-CYBMUJFWSA-N 1 0 246.354 1.871 10 0 BDAERO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657694788 411581197 /nfs/dbraw/zinc/58/11/97/411581197.db2.gz GPHQFJMMUQSKQW-GRYCIOLGSA-N 1 0 238.375 1.879 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@@H]1CC1(C)C ZINC000657695465 411581323 /nfs/dbraw/zinc/58/13/23/411581323.db2.gz MMEFXABYFBSGGK-AXFHLTTASA-N 1 0 224.348 1.489 10 0 BDAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696906 411581863 /nfs/dbraw/zinc/58/18/63/411581863.db2.gz XNAWLLRULVFTPI-JHJVBQTASA-N 1 0 238.375 1.881 10 0 BDAERO CN1C[C@H](C[NH2+]C/C=C\c2ccccc2)CC1=O ZINC000657697153 411582007 /nfs/dbraw/zinc/58/20/07/411582007.db2.gz NBVDMGGPKKVMLQ-PODYEWJSSA-N 1 0 244.338 1.768 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2CCOC2(C)C)cnn1C ZINC000657784831 411594785 /nfs/dbraw/zinc/59/47/85/411594785.db2.gz GEMNYNDJLDDBGB-LBPRGKRZSA-N 1 0 237.347 1.633 10 0 BDAERO COc1cc(C)nc(C[NH2+]C2CC(CO)C2)c1 ZINC000657810339 411602283 /nfs/dbraw/zinc/60/22/83/411602283.db2.gz BFSVTBGAKCSANT-UHFFFAOYSA-N 1 0 236.315 1.259 10 0 BDAERO OCC1CC([NH2+]C[C@@H]2CCSC2)C1 ZINC000657810974 411602710 /nfs/dbraw/zinc/60/27/10/411602710.db2.gz PFFRKUNNTDWEAP-IDKOKCKLSA-N 1 0 201.335 1.100 10 0 BDAERO OCC1CC([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000657810950 411603116 /nfs/dbraw/zinc/60/31/16/411603116.db2.gz OAZYCZIITWEWIE-CXQJBGSLSA-N 1 0 225.332 1.449 10 0 BDAERO CCOc1ccc(C[C@](C)(O)C[NH2+]C)cc1 ZINC000019684544 170548293 /nfs/dbraw/zinc/54/82/93/170548293.db2.gz KGFHKIYOOWOZEO-ZDUSSCGKSA-N 1 0 223.316 1.598 10 0 BDAERO CCOc1cccc(N2CC[C@H]([NH3+])C2)c1 ZINC000049568551 170580791 /nfs/dbraw/zinc/58/07/91/170580791.db2.gz FYRKQXWQYNEMAV-JTQLQIEISA-N 1 0 206.289 1.623 10 0 BDAERO CCOc1cccc([C@@H]([NH3+])CC(=O)NC2CC2)c1 ZINC000041301053 170585070 /nfs/dbraw/zinc/58/50/70/170585070.db2.gz YUBPBDXRBJUCCG-ZDUSSCGKSA-N 1 0 248.326 1.754 10 0 BDAERO CCOc1cccc([C@H]([NH3+])CC(=O)OC)c1 ZINC000019784026 170585872 /nfs/dbraw/zinc/58/58/72/170585872.db2.gz ZVVDWXZSXCLAKA-LLVKDONJSA-N 1 0 223.272 1.648 10 0 BDAERO CCOc1ccccc1[C@@H](C[NH3+])C(=O)OC ZINC000057515796 170598661 /nfs/dbraw/zinc/59/86/61/170598661.db2.gz LVUPOZXHKCPFLI-SNVBAGLBSA-N 1 0 223.272 1.301 10 0 BDAERO CCS(=O)(=O)C[C@H]([NH3+])c1ccc(C)cc1C ZINC000075418088 170611859 /nfs/dbraw/zinc/61/18/59/170611859.db2.gz OXCROOJNPUFVLP-LBPRGKRZSA-N 1 0 241.356 1.738 10 0 BDAERO CCSCC[NH2+]CCn1cc(C)cn1 ZINC000227564875 170635974 /nfs/dbraw/zinc/63/59/74/170635974.db2.gz DBKARMFADYNUPG-UHFFFAOYSA-N 1 0 213.350 1.534 10 0 BDAERO CC(C)[N@@H+]1CCN[C@H](c2ccnc(N)c2)C1 ZINC000616632530 411866795 /nfs/dbraw/zinc/86/67/95/411866795.db2.gz KZPCZGQRXPUQTG-NSHDSACASA-N 1 0 220.320 1.019 10 0 BDAERO CC[N@@H+]1CCC[C@H](c2ccnc(N)c2)C1 ZINC000616617284 411857382 /nfs/dbraw/zinc/85/73/82/411857382.db2.gz LRABSULKHBGHHO-NSHDSACASA-N 1 0 205.305 1.863 10 0 BDAERO CC[N@@H+]1CCC[C@@H](c2c[nH]nc2N)CC1 ZINC000616626589 411857605 /nfs/dbraw/zinc/85/76/05/411857605.db2.gz ANSBAVYADCQPQJ-SECBINFHSA-N 1 0 208.309 1.581 10 0 BDAERO CC[N@@H+]1CCC[C@@H](c2ccnc(N)c2)C1 ZINC000616617176 411857676 /nfs/dbraw/zinc/85/76/76/411857676.db2.gz LRABSULKHBGHHO-LLVKDONJSA-N 1 0 205.305 1.863 10 0 BDAERO CC[N@@H+]1CCOC[C@@H](c2ccc(N)nc2)C1 ZINC000616661929 411858123 /nfs/dbraw/zinc/85/81/23/411858123.db2.gz VYTICLIGJYQANY-NSHDSACASA-N 1 0 221.304 1.100 10 0 BDAERO CC[N@@H+]1CCC[C@@H](c2cc(N)n[nH]2)CC1 ZINC000616609698 411858604 /nfs/dbraw/zinc/85/86/04/411858604.db2.gz HGYKSDLPGIAKDU-SECBINFHSA-N 1 0 208.309 1.581 10 0 BDAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cc(N)n[nH]2)C1 ZINC000616653883 411859589 /nfs/dbraw/zinc/85/95/89/411859589.db2.gz XRBLAVNLWXJMKQ-SNVBAGLBSA-N 1 0 238.335 1.554 10 0 BDAERO CCOC(=O)N1CCC(c2ccc(N)nc2)CC1 ZINC000616619659 411863001 /nfs/dbraw/zinc/86/30/01/411863001.db2.gz UNJHVHVCHZENBB-UHFFFAOYSA-N 1 0 249.314 2.000 10 0 BDAERO CC(C)(C)[N@@H+]1CC[C@@H](c2c[nH]nc2N)C1 ZINC000616614091 411863271 /nfs/dbraw/zinc/86/32/71/411863271.db2.gz CHNXLYALJSIQIN-MRVPVSSYSA-N 1 0 208.309 1.580 10 0 BDAERO CCOC(=O)N1CC[C@@H](c2ccnc(N)c2)C1 ZINC000616613504 411863649 /nfs/dbraw/zinc/86/36/49/411863649.db2.gz SZDGLIPWNBBKFG-SNVBAGLBSA-N 1 0 235.287 1.610 10 0 BDAERO C[N@@H+]1CCCO[C@@H](c2ccc(N)nc2)C1 ZINC000616652490 411892579 /nfs/dbraw/zinc/89/25/79/411892579.db2.gz NHGMCAAMZIPJPR-SNVBAGLBSA-N 1 0 207.277 1.057 10 0 BDAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccc(N)nc1 ZINC000616599622 411870182 /nfs/dbraw/zinc/87/01/82/411870182.db2.gz SQWGBXQYAOYCKB-GFCCVEGCSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2ccnc(N)c2)C1 ZINC000616661485 411871542 /nfs/dbraw/zinc/87/15/42/411871542.db2.gz STGGLHWSECIQBX-GFCCVEGCSA-N 1 0 235.331 1.488 10 0 BDAERO CC[C@@H]([NH3+])CNC(=O)c1ccc(N(C)C)cc1 ZINC000104226550 170865122 /nfs/dbraw/zinc/86/51/22/170865122.db2.gz SJOGCZUZBJVIHS-LLVKDONJSA-N 1 0 235.331 1.220 10 0 BDAERO CC[C@@H]([NH3+])Cc1noc(-c2cc(C)no2)n1 ZINC000054184928 170866145 /nfs/dbraw/zinc/86/61/45/170866145.db2.gz LYAJFUVRWPDBOO-SSDOTTSWSA-N 1 0 222.248 1.313 10 0 BDAERO Nc1[nH+]ccn1-c1ccc(Br)cn1 ZINC000575567547 411972465 /nfs/dbraw/zinc/97/24/65/411972465.db2.gz YKRGBLOYINTTSK-UHFFFAOYSA-N 1 0 239.076 1.612 10 0 BDAERO CC[C@@H]([NH2+]C)c1cccc(S(N)(=O)=O)c1 ZINC000037682679 170888185 /nfs/dbraw/zinc/88/81/85/170888185.db2.gz PZEFNRGMAXGZBH-SNVBAGLBSA-N 1 0 228.317 1.005 10 0 BDAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC2(CCC2)CC1 ZINC000664719055 412014483 /nfs/dbraw/zinc/01/44/83/412014483.db2.gz LFNLNKGLBPMPFZ-WDEREUQCSA-N 1 0 240.322 1.479 10 0 BDAERO C[C@H]([NH3+])CNc1ccc(C(F)(F)F)nn1 ZINC000132511806 412017521 /nfs/dbraw/zinc/01/75/21/412017521.db2.gz MGVDFTASLQVHEV-YFKPBYRVSA-N 1 0 220.198 1.255 10 0 BDAERO Nc1cc(OCCc2ccccc2)cc(N)[nH+]1 ZINC000584624140 411947889 /nfs/dbraw/zinc/94/78/89/411947889.db2.gz AVDXVIGLJGTMMK-UHFFFAOYSA-N 1 0 229.283 1.868 10 0 BDAERO CC[C@@H](c1cccs1)N1CC[C@H]([NH3+])C1=O ZINC000049660088 170954916 /nfs/dbraw/zinc/95/49/16/170954916.db2.gz HGVDELDMYNWHON-IUCAKERBSA-N 1 0 224.329 1.759 10 0 BDAERO CC[C@@H]1CCCN(C(=O)n2cc[n+](C)c2)C1 ZINC000036170308 170975083 /nfs/dbraw/zinc/97/50/83/170975083.db2.gz DRKPVMSHFNNJSW-LLVKDONJSA-N 1 0 222.312 1.403 10 0 BDAERO CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000082350206 171004872 /nfs/dbraw/zinc/00/48/72/171004872.db2.gz NRDKNHCJVIZZSP-ZJUUUORDSA-N 1 0 228.336 1.981 10 0 BDAERO CC[C@@H]1CCN(Cc2ccncc2)CC[NH2+]1 ZINC000049662142 171011278 /nfs/dbraw/zinc/01/12/78/171011278.db2.gz ZKHICUMPPVFNTR-CYBMUJFWSA-N 1 0 219.332 1.656 10 0 BDAERO CC[C@@H]1CC[C@@H](O)[C@H](C[N@H+](CCO)C(C)C)C1 ZINC000053924225 171042006 /nfs/dbraw/zinc/04/20/06/171042006.db2.gz KMVGVKXLOPRPFP-HZSPNIEDSA-N 1 0 243.391 1.876 10 0 BDAERO CC[C@@H]1CN(C2(C[NH3+])CCCCC2)CCO1 ZINC000036769514 171074919 /nfs/dbraw/zinc/07/49/19/171074919.db2.gz PBTCMNADYSRDOD-GFCCVEGCSA-N 1 0 226.364 1.759 10 0 BDAERO CC[C@@H]1CN(CC(OC)OC)[C@H](CC)C[NH2+]1 ZINC000083357638 171075727 /nfs/dbraw/zinc/07/57/27/171075727.db2.gz SATYBRVMSWRXKC-GHMZBOCLSA-N 1 0 230.352 1.068 10 0 BDAERO CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)o2)CCO1 ZINC000036769420 171093690 /nfs/dbraw/zinc/09/36/90/171093690.db2.gz ITQFQSUEKFRYJS-NEPJUHHUSA-N 1 0 238.331 1.699 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@H]2CCCC[C@@H]2O)CCCO1 ZINC000300869964 171095993 /nfs/dbraw/zinc/09/59/93/171095993.db2.gz JVFHTAMCKNWNGM-AGIUHOORSA-N 1 0 227.348 1.791 10 0 BDAERO CC[C@@H]1CN(c2ncc(C[NH2+]C)s2)CCO1 ZINC000054903586 171098346 /nfs/dbraw/zinc/09/83/46/171098346.db2.gz XKTJGUKRIVUDKL-SECBINFHSA-N 1 0 241.360 1.478 10 0 BDAERO CC[C@@H]1CN(c2nncs2)[C@H](C)C[NH2+]1 ZINC000083347096 171099979 /nfs/dbraw/zinc/09/99/79/171099979.db2.gz YPYXZOJDMCTCRP-HTQZYQBOSA-N 1 0 212.322 1.115 10 0 BDAERO CC[C@@H]1C[NH2+][C@H](C)CN1[C@@H](C)COC ZINC000083085049 171103038 /nfs/dbraw/zinc/10/30/38/171103038.db2.gz LFWIUDLYMVVKCQ-OUAUKWLOSA-N 1 0 200.326 1.094 10 0 BDAERO CC[C@@H]1Cc2ccccc2CN1C(=[NH2+])NO ZINC000039102114 171143338 /nfs/dbraw/zinc/14/33/38/171143338.db2.gz WLPFGAAYVYZNCH-LLVKDONJSA-N 1 0 219.288 1.737 10 0 BDAERO CC[C@@]([NH3+])(C(N)=O)c1cccc(Cl)c1 ZINC000037460081 171192801 /nfs/dbraw/zinc/19/28/01/171192801.db2.gz GOPYAFARKHKUDP-JTQLQIEISA-N 1 0 212.680 1.389 10 0 BDAERO CC[C@@]([NH2+]CC1CC1)(C(N)=O)c1ccccc1 ZINC000037952180 171194904 /nfs/dbraw/zinc/19/49/04/171194904.db2.gz PGCKWRPIBXEGAI-AWEZNQCLSA-N 1 0 232.327 1.777 10 0 BDAERO CC[C@@]1(c2ccc(F)cc2)C[C@]1(C[NH3+])CO ZINC000062670240 171216199 /nfs/dbraw/zinc/21/61/99/171216199.db2.gz HMXYRHCCDXSSNR-STQMWFEESA-N 1 0 223.291 1.815 10 0 BDAERO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000061679476 171243776 /nfs/dbraw/zinc/24/37/76/171243776.db2.gz JHVVOQBPOIMDES-VXGBXAGGSA-N 1 0 224.348 1.905 10 0 BDAERO C(CC1CCC1)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000662284310 412075190 /nfs/dbraw/zinc/07/51/90/412075190.db2.gz UXWGDTJQWVZJJL-QWHCGFSZSA-N 1 0 224.348 1.239 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)CC ZINC000037110286 171303052 /nfs/dbraw/zinc/30/30/52/171303052.db2.gz PRZUBFJCHUJKSK-UTLUCORTSA-N 1 0 200.326 1.617 10 0 BDAERO CC[C@H](C)N(Cc1ccco1)C(=O)CC[NH3+] ZINC000032014835 171317064 /nfs/dbraw/zinc/31/70/64/171317064.db2.gz MCHVRRYMZUXZIU-JTQLQIEISA-N 1 0 224.304 1.756 10 0 BDAERO CC[C@H](C)[NH+]1CCN([C@@H](C)CC(=O)OC)CC1 ZINC000055067801 171319293 /nfs/dbraw/zinc/31/92/93/171319293.db2.gz YHVTWPZDMVMCCY-RYUDHWBXSA-N 1 0 242.363 1.354 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H]1CCCO1 ZINC000038014770 171322931 /nfs/dbraw/zinc/32/29/31/171322931.db2.gz QJACUZUUNXDQKB-QWRGUYRKSA-N 1 0 228.336 1.060 10 0 BDAERO CC[C@H](C)NC(=O)COCC[C@@H]1CCCC[NH2+]1 ZINC000051862203 171326178 /nfs/dbraw/zinc/32/61/78/171326178.db2.gz NBUVTVSMMRGZQH-RYUDHWBXSA-N 1 0 242.363 1.450 10 0 BDAERO CC[C@H](C)[NH2+]C1(C(=O)[O-])CC[NH+](C(C)C)CC1 ZINC000038065861 171339433 /nfs/dbraw/zinc/33/94/33/171339433.db2.gz FUKAAPPWYASZCC-NSHDSACASA-N 1 0 242.363 1.702 10 0 BDAERO CC[C@H](C)[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000037394532 171339752 /nfs/dbraw/zinc/33/97/52/171339752.db2.gz YRVLJYRWTCNYPI-WDEREUQCSA-N 1 0 212.337 1.776 10 0 BDAERO CC[C@H](C)Oc1nnc(C)c(C)c1C[NH3+] ZINC000040290631 171356887 /nfs/dbraw/zinc/35/68/87/171356887.db2.gz GEQBSXSEAPIWBK-ZETCQYMHSA-N 1 0 209.293 1.729 10 0 BDAERO CC[C@H](C)[C@@](C)([NH2+]CCN(CC)CC)C(N)=O ZINC000037943572 171382320 /nfs/dbraw/zinc/38/23/20/171382320.db2.gz SFGJRSPRUXVAAM-WCQYABFASA-N 1 0 243.395 1.208 10 0 BDAERO CC[C@H](C[NH3+])NC(=O)N1CCC(C)CC1 ZINC000082642306 171431355 /nfs/dbraw/zinc/43/13/55/171431355.db2.gz HSWCEJKKIKXDQG-SNVBAGLBSA-N 1 0 213.325 1.165 10 0 BDAERO C[C@H]1C[N@H+](CC2(O)CCC2)C[C@](C)(C(F)F)O1 ZINC000662358373 412124102 /nfs/dbraw/zinc/12/41/02/412124102.db2.gz OGEVBCZYMSQTJY-GXSJLCMTSA-N 1 0 249.301 1.646 10 0 BDAERO C[C@@H]1C[C@@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662441826 412177135 /nfs/dbraw/zinc/17/71/35/412177135.db2.gz NKNZZQZFZDHEPV-PELKAZGASA-N 1 0 216.284 1.428 10 0 BDAERO O=C(N[C@H]1CCCOC1)c1cccc2c1C[NH2+]C2 ZINC000662448751 412177677 /nfs/dbraw/zinc/17/76/77/412177677.db2.gz RFSTWWUXHBMWHB-NSHDSACASA-N 1 0 246.310 1.199 10 0 BDAERO CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)C(C)(C)C ZINC000309620005 171528928 /nfs/dbraw/zinc/52/89/28/171528928.db2.gz CYNDYWCTTSCSLP-NTZNESFSSA-N 1 0 229.364 1.941 10 0 BDAERO CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662409414 412154049 /nfs/dbraw/zinc/15/40/49/412154049.db2.gz JLLLRCFLCITWIB-ZSBIGDGJSA-N 1 0 224.348 1.537 10 0 BDAERO CC(C)(F)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000662662566 412262716 /nfs/dbraw/zinc/26/27/16/412262716.db2.gz HIKDQEQQRWEVRE-SNVBAGLBSA-N 1 0 230.327 1.773 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@]1(C)CC1(F)F ZINC000662665222 412263629 /nfs/dbraw/zinc/26/36/29/412263629.db2.gz GUMNJDCCHFFILW-QXFUBDJGSA-N 1 0 234.290 1.521 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@]1(C)CC1(F)F ZINC000662665695 412264373 /nfs/dbraw/zinc/26/43/73/412264373.db2.gz KDQJYNLHVQRQJT-CBAPKCEASA-N 1 0 220.263 1.275 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H](CCF)C2)C1 ZINC000662688233 412271696 /nfs/dbraw/zinc/27/16/96/412271696.db2.gz NOMINHNDXDPIOR-GRYCIOLGSA-N 1 0 242.338 1.712 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCC1=CCCC1 ZINC000662709246 412278239 /nfs/dbraw/zinc/27/82/39/412278239.db2.gz XZFUNARNXRYXQS-LLVKDONJSA-N 1 0 210.321 1.586 10 0 BDAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000662560268 412218506 /nfs/dbraw/zinc/21/85/06/412218506.db2.gz HWUQFTYYASQKTJ-WDEREUQCSA-N 1 0 224.348 1.681 10 0 BDAERO CO[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)C1CCC1 ZINC000662561072 412219355 /nfs/dbraw/zinc/21/93/55/412219355.db2.gz JFUCZDSUGMRMOA-WCQGTBRESA-N 1 0 240.347 1.058 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000662563779 412220319 /nfs/dbraw/zinc/22/03/19/412220319.db2.gz WJLYDGQBSMLXOQ-GCHJQGSQSA-N 1 0 222.332 1.289 10 0 BDAERO CO[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000662834016 412315268 /nfs/dbraw/zinc/31/52/68/412315268.db2.gz CHLCWYSYALBPEH-NWDGAFQWSA-N 1 0 242.363 1.387 10 0 BDAERO CC[C@H]1CO[C@H](C)CN1C1(C[NH3+])CCCC1 ZINC000042450340 171674083 /nfs/dbraw/zinc/67/40/83/171674083.db2.gz NDSGXIZMGIADOD-NEPJUHHUSA-N 1 0 226.364 1.757 10 0 BDAERO CC[C@H]1Cc2ccccc2CN1C(=[NH2+])NO ZINC000039102115 171681011 /nfs/dbraw/zinc/68/10/11/171681011.db2.gz WLPFGAAYVYZNCH-NSHDSACASA-N 1 0 219.288 1.737 10 0 BDAERO O=C(NC1CC2(CCC2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000662906524 412341000 /nfs/dbraw/zinc/34/10/00/412341000.db2.gz NGRPQNATOBHECP-WCBMZHEXSA-N 1 0 226.295 1.135 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000662912492 412343605 /nfs/dbraw/zinc/34/36/05/412343605.db2.gz GVYRVSQWOQKOMJ-BJDJZHNGSA-N 1 0 222.332 1.230 10 0 BDAERO CC(NC(=O)[C@H]1CC[C@H]([NH3+])C1)(C1CC1)C1CC1 ZINC000662915067 412345028 /nfs/dbraw/zinc/34/50/28/412345028.db2.gz ITVHJXIRIMZRAN-CABZTGNLSA-N 1 0 236.359 1.809 10 0 BDAERO COC[C@]1(C(=O)NC2CC(C)(C)C2)CCC[NH2+]1 ZINC000662947429 412350749 /nfs/dbraw/zinc/35/07/49/412350749.db2.gz OSPDRDMTTAHCDB-ZDUSSCGKSA-N 1 0 240.347 1.060 10 0 BDAERO CCCOc1nccnc1NC[C@H]([NH3+])CC ZINC000630516567 412360436 /nfs/dbraw/zinc/36/04/36/412360436.db2.gz GGJZUAIIHIHCFJ-SECBINFHSA-N 1 0 224.308 1.415 10 0 BDAERO CCC[C@@H](C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662975584 412361377 /nfs/dbraw/zinc/36/13/77/412361377.db2.gz IWKCZKZZKXZYNT-SFYZADRCSA-N 1 0 240.269 1.771 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)C1CC1 ZINC000132989080 412384811 /nfs/dbraw/zinc/38/48/11/412384811.db2.gz OSNGWIXSURWLGU-ONGXEEELSA-N 1 0 212.337 1.522 10 0 BDAERO CCc1cc(OC)c(N(C)CC[NH3+])cc1OC ZINC000096890346 171772034 /nfs/dbraw/zinc/77/20/34/171772034.db2.gz FXPKTRCNZHDIPH-UHFFFAOYSA-N 1 0 238.331 1.661 10 0 BDAERO CCCc1nccnc1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000663271641 412404539 /nfs/dbraw/zinc/40/45/39/412404539.db2.gz DIIWWUSNJDVRLY-GHMZBOCLSA-N 1 0 234.347 1.982 10 0 BDAERO CCCc1nccnc1N[C@@H](CC[NH3+])C(F)F ZINC000663273576 412404622 /nfs/dbraw/zinc/40/46/22/412404622.db2.gz HJLZNENOJLZKIG-QMMMGPOBSA-N 1 0 244.289 1.824 10 0 BDAERO CCCc1nccnc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000663272686 412404701 /nfs/dbraw/zinc/40/47/01/412404701.db2.gz REAZJWMFKKMYOQ-QJPTWQEYSA-N 1 0 246.358 1.603 10 0 BDAERO CCCc1nsc(N[C@H](C)C[NH2+]C)n1 ZINC000663276989 412406541 /nfs/dbraw/zinc/40/65/41/412406541.db2.gz HLLADTJWGOZICN-SSDOTTSWSA-N 1 0 214.338 1.510 10 0 BDAERO C[NH2+]C[C@H](C)Nc1ccnc2cccnc21 ZINC000663277937 412407314 /nfs/dbraw/zinc/40/73/14/412407314.db2.gz AGBPEFQRMAZSBF-VIFPVBQESA-N 1 0 216.288 1.072 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1nc2ccccc2o1 ZINC000663278281 412407428 /nfs/dbraw/zinc/40/74/28/412407428.db2.gz FXDRJLRGOCEQNZ-MRVPVSSYSA-N 1 0 205.261 1.848 10 0 BDAERO C[NH2+]C[C@@H](C)Nc1ccncc1Br ZINC000663279676 412408223 /nfs/dbraw/zinc/40/82/23/412408223.db2.gz UQKVWIYFMVXBPR-SSDOTTSWSA-N 1 0 244.136 1.286 10 0 BDAERO CCc1ccc(CN2C[C@H](C[NH3+])CC2=O)cc1 ZINC000077364356 171802361 /nfs/dbraw/zinc/80/23/61/171802361.db2.gz WKNMHRJFOCBZJC-ZDUSSCGKSA-N 1 0 232.327 1.556 10 0 BDAERO CCc1ccc(NC(=O)C2(C[NH3+])CC2)cc1 ZINC000077326793 171817789 /nfs/dbraw/zinc/81/77/89/171817789.db2.gz HVSGXPBZQMKEBX-UHFFFAOYSA-N 1 0 218.300 1.926 10 0 BDAERO CCc1ccc([C@H]([NH3+])CN2CCN(C)C2=O)cc1 ZINC000052885705 171842743 /nfs/dbraw/zinc/84/27/43/171842743.db2.gz XURCJTQGKRHJJZ-CYBMUJFWSA-N 1 0 247.342 1.616 10 0 BDAERO CCC(CC)[C@H](O)CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225811097 487623825 /nfs/dbraw/zinc/62/38/25/487623825.db2.gz UUMWIEDWUOWRSN-VXGBXAGGSA-N 1 0 244.379 1.273 10 0 BDAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C(C)C ZINC000125757378 172014401 /nfs/dbraw/zinc/01/44/01/172014401.db2.gz LVZKQXUYDVMPCV-VIFPVBQESA-N 1 0 208.309 1.673 10 0 BDAERO CCc1ncc(C[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000134527993 172018832 /nfs/dbraw/zinc/01/88/32/172018832.db2.gz CGBCTBXTPHNFRA-PSASIEDQSA-N 1 0 226.345 1.973 10 0 BDAERO CCc1nccn1[C@H]1CCC[N@H+](CCCO)C1 ZINC000105922544 172028660 /nfs/dbraw/zinc/02/86/60/172028660.db2.gz YEDPDGOLVVZFEZ-LBPRGKRZSA-N 1 0 237.347 1.465 10 0 BDAERO CCc1nccn1Cc1occc1C[NH3+] ZINC000052592971 172028888 /nfs/dbraw/zinc/02/88/88/172028888.db2.gz HTKZVRFUQLCASP-UHFFFAOYSA-N 1 0 205.261 1.546 10 0 BDAERO CCn1c(C)nnc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000336779682 172139203 /nfs/dbraw/zinc/13/92/03/172139203.db2.gz PDUWIOCANBATQV-ONGXEEELSA-N 1 0 222.336 1.885 10 0 BDAERO COCCCCCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000225810328 487624079 /nfs/dbraw/zinc/62/40/79/487624079.db2.gz SRMQDSBZLLWABG-LLVKDONJSA-N 1 0 230.352 1.293 10 0 BDAERO CCn1cc(C[C@H]([NH3+])c2ccco2)cn1 ZINC000054446366 172176668 /nfs/dbraw/zinc/17/66/68/172176668.db2.gz SNMFWQCTCJOVGH-JTQLQIEISA-N 1 0 205.261 1.739 10 0 BDAERO CCn1cc([C@@H]([NH3+])Cc2cccnc2)cn1 ZINC000053130939 172195025 /nfs/dbraw/zinc/19/50/25/172195025.db2.gz MJJQZOZNURJYEW-LBPRGKRZSA-N 1 0 216.288 1.541 10 0 BDAERO CCn1cc([C@@](O)([C@@H](C)[NH3+])C(F)(F)F)cn1 ZINC000062784819 172196502 /nfs/dbraw/zinc/19/65/02/172196502.db2.gz YNXARUSDJIXIQG-SVRRBLITSA-N 1 0 237.225 1.000 10 0 BDAERO CCn1cc([C@H]([NH3+])c2ncccc2C)cn1 ZINC000049850115 172199697 /nfs/dbraw/zinc/19/96/97/172199697.db2.gz CMZHLXKDYBZIAB-NSHDSACASA-N 1 0 216.288 1.655 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@H]1CCCN1C ZINC000226019434 172206941 /nfs/dbraw/zinc/20/69/41/172206941.db2.gz MVBLLIXRZMICGZ-LBPRGKRZSA-N 1 0 221.348 1.692 10 0 BDAERO CCn1cccc1C[NH2+]CCN(C)CCOC ZINC000091127712 172207138 /nfs/dbraw/zinc/20/71/38/172207138.db2.gz AEAKRFBLWLPVSK-UHFFFAOYSA-N 1 0 239.363 1.176 10 0 BDAERO CCn1cccc1C[NH2+]C[C@@H]1CCOC1 ZINC000085608961 172208042 /nfs/dbraw/zinc/20/80/42/172208042.db2.gz CBPBGYYSGFTQMB-NSHDSACASA-N 1 0 208.305 1.634 10 0 BDAERO CCn1cccc1C[NH2+]C[C@H]1CCCO1 ZINC000045205832 172208359 /nfs/dbraw/zinc/20/83/59/172208359.db2.gz JDSHPEYHZRDUHS-GFCCVEGCSA-N 1 0 208.305 1.777 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)CC[S@@](C)=O ZINC000230089352 172209149 /nfs/dbraw/zinc/20/91/49/172209149.db2.gz FZASUIDNWZZXHW-MEDUHNTESA-N 1 0 242.388 1.755 10 0 BDAERO CCn1cccc1C[NH2+][C@@H](C)CN1CCCC1=O ZINC000091025711 172209180 /nfs/dbraw/zinc/20/91/80/172209180.db2.gz QCYWNXYHTUFLKI-LBPRGKRZSA-N 1 0 249.358 1.609 10 0 BDAERO CCn1ccnc1N1CCC(C[NH2+]C)CC1 ZINC000053664140 172226827 /nfs/dbraw/zinc/22/68/27/172226827.db2.gz WAXZIMBXFSHVMY-UHFFFAOYSA-N 1 0 222.336 1.339 10 0 BDAERO CCn1ccnc1OC[C@@H]1CCCC[NH2+]1 ZINC000051883519 172228179 /nfs/dbraw/zinc/22/81/79/172228179.db2.gz GDYZDYCUFLCCTE-JTQLQIEISA-N 1 0 209.293 1.424 10 0 BDAERO CCn1nc(C)c(CN2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000307972440 172244879 /nfs/dbraw/zinc/24/48/79/172244879.db2.gz KXENEMCXFJMKOE-YPMHNXCESA-N 1 0 236.363 1.441 10 0 BDAERO CCn1ncc(-c2ccn(CC[NH3+])n2)c1C ZINC000002538694 172251381 /nfs/dbraw/zinc/25/13/81/172251381.db2.gz RFOVSJVLVJSQKX-UHFFFAOYSA-N 1 0 219.292 1.034 10 0 BDAERO CCn1nccc1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000301907686 172267459 /nfs/dbraw/zinc/26/74/59/172267459.db2.gz SSEFTMCFSYCMDO-LBPRGKRZSA-N 1 0 248.374 1.619 10 0 BDAERO CN(C(=O)C(C)(C)[NH3+])c1cccc(F)c1 ZINC000050008937 172295376 /nfs/dbraw/zinc/29/53/76/172295376.db2.gz CBBFBMZCGMUZPT-UHFFFAOYSA-N 1 0 210.252 1.526 10 0 BDAERO CN(C(=O)C(C)(C)C[NH3+])c1ccccc1F ZINC000050006211 172295543 /nfs/dbraw/zinc/29/55/43/172295543.db2.gz ALNCKGOCGSFPMY-UHFFFAOYSA-N 1 0 224.279 1.773 10 0 BDAERO CN(C(=O)C1CC1)c1ccc(C[NH3+])cc1 ZINC000020224949 172298113 /nfs/dbraw/zinc/29/81/13/172298113.db2.gz KQSYOTRAFRSPRA-UHFFFAOYSA-N 1 0 204.273 1.518 10 0 BDAERO CN(C(=O)C1CC1)c1cccc(C[NH3+])c1 ZINC000061950348 172298628 /nfs/dbraw/zinc/29/86/28/172298628.db2.gz PZYOBRRXKGWTMR-UHFFFAOYSA-N 1 0 204.273 1.518 10 0 BDAERO CN(C(=O)C1CCC1)c1cccc(C[NH3+])c1 ZINC000061950147 172299085 /nfs/dbraw/zinc/29/90/85/172299085.db2.gz BCZXZSBJPQLDOI-UHFFFAOYSA-N 1 0 218.300 1.908 10 0 BDAERO CN(C(=O)C1CCCCC1)C(C)(C)C[NH3+] ZINC000098168242 172299302 /nfs/dbraw/zinc/29/93/02/172299302.db2.gz MXOGWYGLVLBVPP-UHFFFAOYSA-N 1 0 212.337 1.762 10 0 BDAERO CN(C(=O)C[NH2+]C1CCCC1)C1CCCC1 ZINC000037655089 172309744 /nfs/dbraw/zinc/30/97/44/172309744.db2.gz YFTPMEKKZKSRPF-UHFFFAOYSA-N 1 0 224.348 1.920 10 0 BDAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000054305963 172314154 /nfs/dbraw/zinc/31/41/54/172314154.db2.gz RYYBPWIUXFPISA-MNOVXSKESA-N 1 0 242.388 1.340 10 0 BDAERO CN(C(=O)Cc1cccc(O)c1)[C@@H]1CCC[NH2+]C1 ZINC000042417792 172314902 /nfs/dbraw/zinc/31/49/02/172314902.db2.gz AKAXVIXKZHRYHW-GFCCVEGCSA-N 1 0 248.326 1.145 10 0 BDAERO CN(C(=O)NC(C)(C)C)C(C)(C)C[NH3+] ZINC000070626972 172318610 /nfs/dbraw/zinc/31/86/10/172318610.db2.gz XWRDXWJFCHXRBS-UHFFFAOYSA-N 1 0 201.314 1.164 10 0 BDAERO CN(C)C(=O)Oc1cccc2c1CC[C@H]2[NH3+] ZINC000013492229 172382559 /nfs/dbraw/zinc/38/25/59/172382559.db2.gz JHNADFDOHHLJBW-SNVBAGLBSA-N 1 0 220.272 1.693 10 0 BDAERO C[NH+](C)CCCNc1ccc2c(c1)OCCO2 ZINC000041270975 172444205 /nfs/dbraw/zinc/44/42/05/172444205.db2.gz PQCYNOJXEAYSON-UHFFFAOYSA-N 1 0 236.315 1.821 10 0 BDAERO C[NH+](C)C[C@@H]1CCCN1c1ccccc1CO ZINC000061645466 172487364 /nfs/dbraw/zinc/48/73/64/172487364.db2.gz KASSRKRZOXTGBX-ZDUSSCGKSA-N 1 0 234.343 1.709 10 0 BDAERO CN(Cc1cccnc1)[C@H]1CCCC[NH2+]C1 ZINC000054135068 172885362 /nfs/dbraw/zinc/88/53/62/172885362.db2.gz LJFWXJBEGLNJBS-ZDUSSCGKSA-N 1 0 219.332 1.656 10 0 BDAERO C[NH+]1CCC(c2c[nH]c3ccc(=O)[nH]c32)CC1 ZINC000013523624 173000349 /nfs/dbraw/zinc/00/03/49/173000349.db2.gz CKBSMVKHMUSXFY-UHFFFAOYSA-N 1 0 231.299 1.665 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1COC(=O)n1ccnc1 ZINC000039110529 173005966 /nfs/dbraw/zinc/00/59/66/173005966.db2.gz WGIVJCWMHUHADR-SNVBAGLBSA-N 1 0 223.276 1.352 10 0 BDAERO C[N@@H+]1CCCC[C@H]1C1=NO[C@@H]2NCCCC=C12 ZINC000215988139 173008636 /nfs/dbraw/zinc/00/86/36/173008636.db2.gz NAJXCLWLRGXTNF-AAEUAGOBSA-N 1 0 235.331 1.493 10 0 BDAERO C[N@@H+]1CCCC[C@H]1CNC1N=NC(=S)S1 ZINC000044563332 173010121 /nfs/dbraw/zinc/01/01/21/173010121.db2.gz IDWOESMXBXCMSW-ZETCQYMHSA-N 1 0 244.389 1.723 10 0 BDAERO C[N@@H+]1CCC[C@@H]2c3cc(O)ccc3OC[C@H]21 ZINC000027856554 173036540 /nfs/dbraw/zinc/03/65/40/173036540.db2.gz YAFBSSPXHBGTMD-ZYHUDNBSSA-N 1 0 219.284 1.962 10 0 BDAERO C[N@@H+]1CCC[C@]12CCN(c1cnccn1)C2 ZINC000038435684 173062840 /nfs/dbraw/zinc/06/28/40/173062840.db2.gz DSMSPUXVMPEGNP-GFCCVEGCSA-N 1 0 218.304 1.151 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1ccncc1Cl ZINC000083346821 173096767 /nfs/dbraw/zinc/09/67/67/173096767.db2.gz QRNPQGLPRNPFRQ-SNVBAGLBSA-N 1 0 211.696 1.311 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2ccc(N)cn2)C1 ZINC000037484590 173117619 /nfs/dbraw/zinc/11/76/19/173117619.db2.gz SOLZWERKOLGXQP-VIFPVBQESA-N 1 0 206.293 1.027 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2ccc(F)cc2N)C1 ZINC000037484608 173118164 /nfs/dbraw/zinc/11/81/64/173118164.db2.gz XWXVTMCBHPVIAV-VIFPVBQESA-N 1 0 223.295 1.772 10 0 BDAERO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000042550114 173122421 /nfs/dbraw/zinc/12/24/21/173122421.db2.gz QYZDSFSOPZLCPG-SNVBAGLBSA-N 1 0 243.310 1.602 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2nncc3ccccc32)C1 ZINC000042548072 173128612 /nfs/dbraw/zinc/12/86/12/173128612.db2.gz KUYHPMFBIOSYBA-LLVKDONJSA-N 1 0 228.299 1.746 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2ccnc(Cl)n2)C1 ZINC000051849794 173156666 /nfs/dbraw/zinc/15/66/66/173156666.db2.gz SDLODRVEUGOJJK-ZETCQYMHSA-N 1 0 212.684 1.246 10 0 BDAERO CN(C)C(=O)c1ccccc1N[C@H]1CC[N@H+](C)C1 ZINC000061988212 173156802 /nfs/dbraw/zinc/15/68/02/173156802.db2.gz YBBRVZIFJMJFEY-NSHDSACASA-N 1 0 247.342 1.504 10 0 BDAERO CN1C[C@H]([NH3+])C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000033986342 173193109 /nfs/dbraw/zinc/19/31/09/173193109.db2.gz KGUBZNRUCSWDAU-MPKXVKKWSA-N 1 0 241.338 1.839 10 0 BDAERO CNC(=O)CCOc1cccc([C@H](C)[NH2+]C)c1 ZINC000051757196 173262344 /nfs/dbraw/zinc/26/23/44/173262344.db2.gz CRZDBHWLOPWQBB-JTQLQIEISA-N 1 0 236.315 1.482 10 0 BDAERO CNC(=O)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000084499587 173278634 /nfs/dbraw/zinc/27/86/34/173278634.db2.gz DSUCVCUUGHGMMQ-MRVPVSSYSA-N 1 0 210.252 1.222 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccccc1C[C@H](C)[NH3+] ZINC000037724468 173295912 /nfs/dbraw/zinc/29/59/12/173295912.db2.gz OPYUQVDAKFRXCO-VHSXEESVSA-N 1 0 236.315 1.090 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629300 173295978 /nfs/dbraw/zinc/29/59/78/173295978.db2.gz XXTJSMIGSYAJIB-NXEZZACHSA-N 1 0 236.315 1.528 10 0 BDAERO CNC(=O)[C@@H](C)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000041721744 173295998 /nfs/dbraw/zinc/29/59/98/173295998.db2.gz PZSAXKJEEDCFPH-SCZZXKLOSA-N 1 0 221.304 1.131 10 0 BDAERO CNC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419242 173296021 /nfs/dbraw/zinc/29/60/21/173296021.db2.gz IOFNLEYMABOLAX-RKDXNWHRSA-N 1 0 222.288 1.220 10 0 BDAERO CNC(=O)c1cccc(NC2CC[NH2+]CC2)c1C ZINC000038041296 173311832 /nfs/dbraw/zinc/31/18/32/173311832.db2.gz YGUTVYMGYYUULC-UHFFFAOYSA-N 1 0 247.342 1.519 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccco1 ZINC000061300459 173318401 /nfs/dbraw/zinc/31/84/01/173318401.db2.gz BEOKTEPKSCWCRQ-QMMMGPOBSA-N 1 0 210.277 1.455 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NC1CCCCCC1 ZINC000061300361 173318511 /nfs/dbraw/zinc/31/85/11/173318511.db2.gz QMEZLTZOOGIQLJ-UHFFFAOYSA-N 1 0 212.337 1.823 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccncc1 ZINC000061300442 173318544 /nfs/dbraw/zinc/31/85/44/173318544.db2.gz NWXDULQHDLBGBV-VIFPVBQESA-N 1 0 221.304 1.257 10 0 BDAERO C[NH2+]C(C)(C)CN1CCCO[C@@H](C)C1 ZINC000061934318 173319823 /nfs/dbraw/zinc/31/98/23/173319823.db2.gz AQHCDICTNAJHGN-JTQLQIEISA-N 1 0 200.326 1.095 10 0 BDAERO C[NH2+]C(C)(C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000061149773 173321236 /nfs/dbraw/zinc/32/12/36/173321236.db2.gz GCFGFZUSNPSFCA-UHFFFAOYSA-N 1 0 247.298 1.789 10 0 BDAERO C[NH2+]C1(c2cccs2)CCN(C)CC1 ZINC000071512331 173322080 /nfs/dbraw/zinc/32/20/80/173322080.db2.gz RVYSZLYZYBDQFZ-UHFFFAOYSA-N 1 0 210.346 1.888 10 0 BDAERO C[NH2+]C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000037507289 173322136 /nfs/dbraw/zinc/32/21/36/173322136.db2.gz NEMKLCFGAAZFBA-UHFFFAOYSA-N 1 0 212.337 1.679 10 0 BDAERO C[NH2+]C1CCN(CC(=O)c2ccco2)CC1 ZINC000095071514 173322812 /nfs/dbraw/zinc/32/28/12/173322812.db2.gz SUBKPASXUNRBFK-UHFFFAOYSA-N 1 0 222.288 1.146 10 0 BDAERO C[NH2+]C1CCN(CC(=O)c2nccs2)CC1 ZINC000095071518 173323417 /nfs/dbraw/zinc/32/34/17/173323417.db2.gz NYQZLMUEFFVGNR-UHFFFAOYSA-N 1 0 239.344 1.010 10 0 BDAERO C[NH2+]C1CCN([C@H](C)c2ccc[nH]2)CC1 ZINC000095071523 173323631 /nfs/dbraw/zinc/32/36/31/173323631.db2.gz YMOIIXXKYXCATO-SNVBAGLBSA-N 1 0 207.321 1.760 10 0 BDAERO C[NH2+]CC(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000037801931 173326008 /nfs/dbraw/zinc/32/60/08/173326008.db2.gz ZGIIWHOSYQMNDF-CYBMUJFWSA-N 1 0 249.358 1.688 10 0 BDAERO C[NH2+]CC(=O)N[C@H](C)c1cccc(F)c1 ZINC000040420142 173332873 /nfs/dbraw/zinc/33/28/73/173332873.db2.gz WHUXGAIBUOZBSX-MRVPVSSYSA-N 1 0 210.252 1.222 10 0 BDAERO C[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000019508360 173333537 /nfs/dbraw/zinc/33/35/37/173333537.db2.gz ONLXZNGDZFVHDQ-UHFFFAOYSA-N 1 0 200.188 1.123 10 0 BDAERO C[NH2+]CC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000037013524 173333804 /nfs/dbraw/zinc/33/38/04/173333804.db2.gz IOBIVWPEKGPQSX-UHFFFAOYSA-N 1 0 230.271 1.030 10 0 BDAERO C[NH2+]CC(C)(C)CN1C[C@@H](C)OC(C)(C)C1 ZINC000051253787 173336806 /nfs/dbraw/zinc/33/68/06/173336806.db2.gz UGJFMSOYHJSTTE-LLVKDONJSA-N 1 0 228.380 1.731 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccc2[nH]c(C)nc2c1 ZINC000077417145 173341847 /nfs/dbraw/zinc/34/18/47/173341847.db2.gz STXJYOYXROBKAX-UHFFFAOYSA-N 1 0 247.298 1.524 10 0 BDAERO C[NH2+]CCCN(c1ccccc1)S(C)(=O)=O ZINC000076625093 173346854 /nfs/dbraw/zinc/34/68/54/173346854.db2.gz IZFGKELTVNMMMU-UHFFFAOYSA-N 1 0 242.344 1.062 10 0 BDAERO C[NH2+]CCCNC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000121402027 173347741 /nfs/dbraw/zinc/34/77/41/173347741.db2.gz QYGJUKDZAKAZCP-GXFFZTMASA-N 1 0 248.326 1.277 10 0 BDAERO C[NH2+]CCCNC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000121401885 173348196 /nfs/dbraw/zinc/34/81/96/173348196.db2.gz QYGJUKDZAKAZCP-ZWNOBZJWSA-N 1 0 248.326 1.277 10 0 BDAERO C[NH2+]CCCNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000121401714 173349278 /nfs/dbraw/zinc/34/92/78/173349278.db2.gz QYGJUKDZAKAZCP-GWCFXTLKSA-N 1 0 248.326 1.277 10 0 BDAERO C[NH2+]CCCc1ccc2c(c1)OCCCO2 ZINC000070639106 173350390 /nfs/dbraw/zinc/35/03/90/173350390.db2.gz VQWXDIAEBADMBH-UHFFFAOYSA-N 1 0 221.300 2.000 10 0 BDAERO C[NH2+]CCCc1cnn(-c2cc(C)ncn2)c1 ZINC000054680966 173350632 /nfs/dbraw/zinc/35/06/32/173350632.db2.gz XIPBXUSZTIWJLL-UHFFFAOYSA-N 1 0 231.303 1.123 10 0 BDAERO C[NH2+]CCN(C)Cc1c(C)cc(C)cc1OC ZINC000077373190 173352960 /nfs/dbraw/zinc/35/29/60/173352960.db2.gz ORYVUOKIXJTJKG-UHFFFAOYSA-N 1 0 236.359 1.963 10 0 BDAERO C[NH2+]CCNC(=O)c1cccc2cccnc21 ZINC000061416412 173355660 /nfs/dbraw/zinc/35/56/60/173355660.db2.gz OOBYJFBXOQTGRX-UHFFFAOYSA-N 1 0 229.283 1.184 10 0 BDAERO C[NH2+]CCNC(=O)c1ccc2ccccc2n1 ZINC000054244272 173356214 /nfs/dbraw/zinc/35/62/14/173356214.db2.gz ZTVKZYFLHSVADR-UHFFFAOYSA-N 1 0 229.283 1.184 10 0 BDAERO C[NH2+]CCNC(=O)c1ccc2ccccc2c1 ZINC000054244293 173356339 /nfs/dbraw/zinc/35/63/39/173356339.db2.gz FDWMVXUTVCNXKC-UHFFFAOYSA-N 1 0 228.295 1.789 10 0 BDAERO C[NH2+]CCNc1cc(OC)c(Cl)cc1OC ZINC000077397737 173356900 /nfs/dbraw/zinc/35/69/00/173356900.db2.gz NPOQIIAJRSKWSZ-UHFFFAOYSA-N 1 0 244.722 1.989 10 0 BDAERO C[NH2+]CCOCCc1ccc2c(c1)nc(C)n2C ZINC000077418409 173356975 /nfs/dbraw/zinc/35/69/75/173356975.db2.gz XVDCNDPWXJUHCB-UHFFFAOYSA-N 1 0 247.342 1.660 10 0 BDAERO C[NH2+]CCOc1ncnc2ccccc21 ZINC000051866894 173357474 /nfs/dbraw/zinc/35/74/74/173357474.db2.gz HHMGHROWJHXQKJ-UHFFFAOYSA-N 1 0 203.245 1.228 10 0 BDAERO C[NH2+]CCS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000071550845 173357728 /nfs/dbraw/zinc/35/77/28/173357728.db2.gz OXUJRQNOZWUGLS-UHFFFAOYSA-N 1 0 241.356 1.803 10 0 BDAERO C[NH2+]CCc1ccc(Br)cn1 ZINC000083298908 173359545 /nfs/dbraw/zinc/35/95/45/173359545.db2.gz KKMOKGYHDXIIMV-UHFFFAOYSA-N 1 0 215.094 1.606 10 0 BDAERO C[NH2+]CCc1c(OC)cc(OC)cc1OC ZINC000059318457 173359932 /nfs/dbraw/zinc/35/99/32/173359932.db2.gz USGXXINUTSOMOI-UHFFFAOYSA-N 1 0 225.288 1.474 10 0 BDAERO C[NH2+]CCc1nnc(Cc2ccc(OC)cc2)o1 ZINC000050619572 173361847 /nfs/dbraw/zinc/36/18/47/173361847.db2.gz ITTRIUWTYOUYMH-UHFFFAOYSA-N 1 0 247.298 1.431 10 0 BDAERO C[NH2+]CCc1nn2c(nnc2C(C)C)s1 ZINC000082540255 173361883 /nfs/dbraw/zinc/36/18/83/173361883.db2.gz HNQAUDWLMDROMJ-UHFFFAOYSA-N 1 0 225.321 1.071 10 0 BDAERO C[NH2+]CCc1nncn1-c1ccccc1 ZINC000054526853 173362002 /nfs/dbraw/zinc/36/20/02/173362002.db2.gz IKCIFBWXMDMCQO-UHFFFAOYSA-N 1 0 202.261 1.029 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1nncc2ccccc21 ZINC000051867557 173364727 /nfs/dbraw/zinc/36/47/27/173364727.db2.gz GDTMEZUBBMAMJC-SECBINFHSA-N 1 0 217.272 1.617 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1ncnc2sccc21 ZINC000051867272 173364858 /nfs/dbraw/zinc/36/48/58/173364858.db2.gz ZGKZSOJNHKJQIA-SSDOTTSWSA-N 1 0 223.301 1.678 10 0 BDAERO C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000019864962 173365374 /nfs/dbraw/zinc/36/53/74/173365374.db2.gz UURLPKLLTFVHFS-OCCSQVGLSA-N 1 0 235.327 1.661 10 0 BDAERO C[NH2+]C[C@@H](O)CO[C@H]1CCCC[C@@H]1C ZINC000019864933 173365555 /nfs/dbraw/zinc/36/55/55/173365555.db2.gz NWUGGGTULVWKQK-AXFHLTTASA-N 1 0 201.310 1.162 10 0 BDAERO C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000019864957 173365616 /nfs/dbraw/zinc/36/56/16/173365616.db2.gz UURLPKLLTFVHFS-TZMCWYRMSA-N 1 0 235.327 1.661 10 0 BDAERO C[NH2+]C[C@@H](O)COC1CCC(C)CC1 ZINC000019864900 173365670 /nfs/dbraw/zinc/36/56/70/173365670.db2.gz UCBSXIMGCWJMNB-HSOILSAZSA-N 1 0 201.310 1.162 10 0 BDAERO C[NH2+]C[C@@H](O)c1cccc2c1OCCC2 ZINC000082940284 173366132 /nfs/dbraw/zinc/36/61/32/173366132.db2.gz VKTQCQMBFRPJKD-LLVKDONJSA-N 1 0 207.273 1.264 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000055027364 173366438 /nfs/dbraw/zinc/36/64/38/173366438.db2.gz ITXZTKCVIMELEV-SECBINFHSA-N 1 0 219.206 1.958 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000055027562 173366484 /nfs/dbraw/zinc/36/64/84/173366484.db2.gz OYEMEPJCSGRFHL-SECBINFHSA-N 1 0 203.644 1.732 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000082592863 173366537 /nfs/dbraw/zinc/36/65/37/173366537.db2.gz QCQUEWRQIWGIRO-SECBINFHSA-N 1 0 203.644 1.732 10 0 BDAERO C[NH2+]C[C@@H]1NCCc2cc(Cl)ccc21 ZINC000083661329 173372412 /nfs/dbraw/zinc/37/24/12/173372412.db2.gz LVVQQXBVRNTQFT-NSHDSACASA-N 1 0 210.708 1.746 10 0 BDAERO C[NH2+]C[C@@](C)(O)c1cccc(Br)c1 ZINC000055032660 173373238 /nfs/dbraw/zinc/37/32/38/173373238.db2.gz TUNOIFCNDNYLAT-SNVBAGLBSA-N 1 0 244.132 1.876 10 0 BDAERO C[NH2+]C[C@H](C)Oc1cnc2ccccc2n1 ZINC000052018272 173375965 /nfs/dbraw/zinc/37/59/65/173375965.db2.gz BCHPUUCGTMLJPK-VIFPVBQESA-N 1 0 217.272 1.617 10 0 BDAERO C[NH2+]C[C@H](C)Sc1nc(C)cc(C)n1 ZINC000053624049 173375991 /nfs/dbraw/zinc/37/59/91/173375991.db2.gz QEZWDJOQOJXQOM-VIFPVBQESA-N 1 0 211.334 1.793 10 0 BDAERO C[NH2+]C[C@H](C)c1c(C)nc(N(C)C)nc1C ZINC000054854724 173376150 /nfs/dbraw/zinc/37/61/50/173376150.db2.gz YMMIPCLXLDTJOD-QMMMGPOBSA-N 1 0 222.336 1.482 10 0 BDAERO C[NH2+]C[C@H](C)Oc1ncnc2ccccc21 ZINC000051867749 173376358 /nfs/dbraw/zinc/37/63/58/173376358.db2.gz WCWZHLRCFNFPPJ-VIFPVBQESA-N 1 0 217.272 1.617 10 0 BDAERO C[NH2+]C[C@H](O)c1cc(F)ccc1Cl ZINC000082927028 173376681 /nfs/dbraw/zinc/37/66/81/173376681.db2.gz FRHIOUZQYDJMKJ-VIFPVBQESA-N 1 0 203.644 1.732 10 0 BDAERO C[NH2+]C[C@H](O)CSc1ccc(OC)cc1C ZINC000019686929 173377030 /nfs/dbraw/zinc/37/70/30/173377030.db2.gz WOOVHQUISWPHMW-JTQLQIEISA-N 1 0 241.356 1.676 10 0 BDAERO C[NH2+]C[C@H](O)c1ccc(OC)c(Cl)c1 ZINC000041228673 173377527 /nfs/dbraw/zinc/37/75/27/173377527.db2.gz IBMGUMJRZFAPLV-VIFPVBQESA-N 1 0 215.680 1.601 10 0 BDAERO C[NH2+]C[C@H]1CCCN1c1nc(C)cnc1C ZINC000053703853 173380587 /nfs/dbraw/zinc/38/05/87/173380587.db2.gz WDBWTUPHPWRUGB-LLVKDONJSA-N 1 0 220.320 1.282 10 0 BDAERO C[NH2+]C[C@H]1CCN(c2ccnc3cccnc32)C1 ZINC000341024413 173382195 /nfs/dbraw/zinc/38/21/95/173382195.db2.gz ZVNWPNYYTZPXRR-LLVKDONJSA-N 1 0 242.326 1.676 10 0 BDAERO C[NH2+]Cc1c(C)cc(C)nc1-n1nc(C)nc1C ZINC000051488478 173384000 /nfs/dbraw/zinc/38/40/00/173384000.db2.gz FYMKWTGBSORTEM-UHFFFAOYSA-N 1 0 245.330 1.615 10 0 BDAERO C[NH2+]C[C@]1(Cc2cccc(F)c2)CCOC1 ZINC000054663819 173384034 /nfs/dbraw/zinc/38/40/34/173384034.db2.gz BZRVOACLDXQFHJ-CYBMUJFWSA-N 1 0 223.291 1.994 10 0 BDAERO C[NH2+]C[C@]1(Cc2cnc(C)s2)CCOC1 ZINC000062337781 173384126 /nfs/dbraw/zinc/38/41/26/173384126.db2.gz LFNUITXWXAEIFD-LLVKDONJSA-N 1 0 226.345 1.620 10 0 BDAERO C[NH2+]Cc1c(C)cc(C)nc1-n1ccc(C)n1 ZINC000052885155 173384478 /nfs/dbraw/zinc/38/44/78/173384478.db2.gz JBILHQIDHRRECP-UHFFFAOYSA-N 1 0 230.315 1.912 10 0 BDAERO C[NH2+]Cc1c(C)nn([C@H]2CCCC[C@@H]2O)c1C ZINC000054599978 173385470 /nfs/dbraw/zinc/38/54/70/173385470.db2.gz DCFMGSBTXFLEIZ-STQMWFEESA-N 1 0 237.347 1.695 10 0 BDAERO C[NH2+]Cc1cc(C)nc(Cc2csc(C)n2)n1 ZINC000055296825 173385747 /nfs/dbraw/zinc/38/57/47/173385747.db2.gz UFPJKUHMOCFSNW-UHFFFAOYSA-N 1 0 248.355 1.860 10 0 BDAERO C[NH2+]Cc1cc(CN2CCCO[C@H](C)C2)on1 ZINC000061935415 173386487 /nfs/dbraw/zinc/38/64/87/173386487.db2.gz FRSDNNFEQGHZSH-SNVBAGLBSA-N 1 0 239.319 1.005 10 0 BDAERO C[NH2+]Cc1cc(N(C)[C@@H]2CCSC2)ccn1 ZINC000051442134 173387387 /nfs/dbraw/zinc/38/73/87/173387387.db2.gz LWNDHFQBSWBPAB-GFCCVEGCSA-N 1 0 237.372 1.743 10 0 BDAERO C[NH2+]Cc1cccc(O[C@@H]2CCCCNC2=O)c1 ZINC000034816080 173389475 /nfs/dbraw/zinc/38/94/75/173389475.db2.gz CHCQOMFKFRFYDI-CYBMUJFWSA-N 1 0 248.326 1.454 10 0 BDAERO C[NH2+]Cc1cccc(NC(=O)c2cnccn2)c1 ZINC000036282399 173389767 /nfs/dbraw/zinc/38/97/67/173389767.db2.gz OLNJQWSFDIGOLP-UHFFFAOYSA-N 1 0 242.282 1.448 10 0 BDAERO C[NH2+]Cc1cccc(O[C@@H]2CCC[C@H]2O)c1 ZINC000037703866 173389943 /nfs/dbraw/zinc/38/99/43/173389943.db2.gz CSWXTKLFLBUVAK-CHWSQXEVSA-N 1 0 221.300 1.698 10 0 BDAERO C[NH2+]Cc1ccnc(-c2ccccn2)n1 ZINC000054791186 173391019 /nfs/dbraw/zinc/39/10/19/173391019.db2.gz WFTJJKBSECMWKR-UHFFFAOYSA-N 1 0 200.245 1.258 10 0 BDAERO C[NH2+]Cc1ccoc1CN1CCO[C@H](C)C1 ZINC000052382329 173391066 /nfs/dbraw/zinc/39/10/66/173391066.db2.gz TZMZWVVNJDAUMH-SNVBAGLBSA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+]Cc1ccoc1CN1CCSCC1 ZINC000052425529 173391084 /nfs/dbraw/zinc/39/10/84/173391084.db2.gz GXZMJELIJAVUOS-UHFFFAOYSA-N 1 0 226.345 1.548 10 0 BDAERO C[NH2+]Cc1ccoc1Cn1cc(C)cn1 ZINC000052576844 173391105 /nfs/dbraw/zinc/39/11/05/173391105.db2.gz ACBNYAKHIOFXOF-UHFFFAOYSA-N 1 0 205.261 1.552 10 0 BDAERO C[NH2+]Cc1ccoc1CN1CCOC[C@H]1C ZINC000052475787 173391568 /nfs/dbraw/zinc/39/15/68/173391568.db2.gz CIOFPRCSEDKRLS-SNVBAGLBSA-N 1 0 224.304 1.220 10 0 BDAERO C[NH2+]Cc1cnc(N(C)[C@H]2CCSC2)s1 ZINC000054902987 173392015 /nfs/dbraw/zinc/39/20/15/173392015.db2.gz DMVMIXUBFSDXCV-QMMMGPOBSA-N 1 0 243.401 1.804 10 0 BDAERO C[NH2+]Cc1cnc(-c2ccsc2)nc1 ZINC000054855440 173392176 /nfs/dbraw/zinc/39/21/76/173392176.db2.gz LZSXPNFGSVHBKR-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1cnc(N2CCCCC2)s1 ZINC000054901050 173392278 /nfs/dbraw/zinc/39/22/78/173392278.db2.gz FNNLXFQUDZFUOF-UHFFFAOYSA-N 1 0 211.334 1.853 10 0 BDAERO C[NH2+]Cc1cnn(Cc2ccc(F)cc2F)c1 ZINC000054719192 173392944 /nfs/dbraw/zinc/39/29/44/173392944.db2.gz VSGCLGDKEFZSNS-UHFFFAOYSA-N 1 0 237.253 1.929 10 0 BDAERO C[NH2+]Cc1cnn([C@@H]2CCCCC[C@H]2O)c1C ZINC000054600493 173393108 /nfs/dbraw/zinc/39/31/08/173393108.db2.gz IYVPWTSYXHYPGF-CHWSQXEVSA-N 1 0 237.347 1.777 10 0 BDAERO C[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000040443679 173393455 /nfs/dbraw/zinc/39/34/55/173393455.db2.gz XYMKEQOHVNSUGZ-UHFFFAOYSA-N 1 0 206.274 1.320 10 0 BDAERO C[NH2+]Cc1csc(-c2cnn(C)c2)c1 ZINC000042366217 173394006 /nfs/dbraw/zinc/39/40/06/173394006.db2.gz VMNGDGADKFBNDG-UHFFFAOYSA-N 1 0 207.302 1.868 10 0 BDAERO C[NH2+]Cc1nc(-c2ccc(OC)cc2)c[nH]1 ZINC000036877261 173394302 /nfs/dbraw/zinc/39/43/02/173394302.db2.gz CAHGSGRKZWBQEE-UHFFFAOYSA-N 1 0 217.272 1.805 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccc(C)cc2)o1 ZINC000050615297 173397173 /nfs/dbraw/zinc/39/71/73/173397173.db2.gz HKGREUZUSAXMCY-UHFFFAOYSA-N 1 0 203.245 1.764 10 0 BDAERO C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000026384055 173397229 /nfs/dbraw/zinc/39/72/29/173397229.db2.gz CBPRSNVQRKONHN-UHFFFAOYSA-N 1 0 205.286 1.925 10 0 BDAERO C[NH2+]Cc1oc(CN2CCSCC2)cc1C ZINC000052443342 173399977 /nfs/dbraw/zinc/39/99/77/173399977.db2.gz AEYYAGIMZWCXJE-UHFFFAOYSA-N 1 0 240.372 1.856 10 0 BDAERO C[NH2+][C@@H](C)CCn1cc(C(F)(F)F)ccc1=O ZINC000071211940 173414326 /nfs/dbraw/zinc/41/43/26/173414326.db2.gz PXDQILYQZYSNSE-QMMMGPOBSA-N 1 0 248.248 1.865 10 0 BDAERO C[NH2+][C@@H](C)Cn1cc(C(F)(F)F)ccc1=O ZINC000070916956 173417091 /nfs/dbraw/zinc/41/70/91/173417091.db2.gz TWXHEZWHRKSVKE-ZETCQYMHSA-N 1 0 234.221 1.475 10 0 BDAERO C[NH2+][C@@H]1CCCC[C@H]1OC1CCOCC1 ZINC000049899011 173432415 /nfs/dbraw/zinc/43/24/15/173432415.db2.gz WZYPBVUPPWLBOM-VXGBXAGGSA-N 1 0 213.321 1.713 10 0 BDAERO C[NH2+][C@@H]1CCN([C@H]2CCc3ccccc3C2)C1=O ZINC000051631982 173437024 /nfs/dbraw/zinc/43/70/24/173437024.db2.gz CLGUQDSLJCDVDE-UONOGXRCSA-N 1 0 244.338 1.364 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@@H]1Oc1cccc(C)c1 ZINC000044054199 173437791 /nfs/dbraw/zinc/43/77/91/173437791.db2.gz HFQIUEKSHBGPNB-OLZOCXBDSA-N 1 0 221.300 1.751 10 0 BDAERO C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C ZINC000043815948 173439209 /nfs/dbraw/zinc/43/92/09/173439209.db2.gz NCVDDQVPYWIZMA-CHWSQXEVSA-N 1 0 204.317 1.824 10 0 BDAERO C[NH2+][C@H](C)CCCN1C(=O)CC(C)(C)CC1=O ZINC000061828154 173445730 /nfs/dbraw/zinc/44/57/30/173445730.db2.gz XKTZPZGKASGVFD-SNVBAGLBSA-N 1 0 240.347 1.550 10 0 BDAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000261800453 173446732 /nfs/dbraw/zinc/44/67/32/173446732.db2.gz RQZAFVMZVMHXQF-MRVWCRGKSA-N 1 0 246.354 1.823 10 0 BDAERO C[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccccc1 ZINC000061702837 173447725 /nfs/dbraw/zinc/44/77/25/173447725.db2.gz VXDUGLUPUDFDKZ-NXEZZACHSA-N 1 0 227.329 1.457 10 0 BDAERO C[NH2+][C@H](C)c1ccc(F)cc1OCCO ZINC000062746075 173448200 /nfs/dbraw/zinc/44/82/00/173448200.db2.gz PKDHKZOYEIPDHT-MRVPVSSYSA-N 1 0 213.252 1.477 10 0 BDAERO C[NH2+][C@H](CO)COc1ccc(C(C)(C)C)cc1 ZINC000071548431 173452882 /nfs/dbraw/zinc/45/28/82/173452882.db2.gz KRSARQJYBYYSRD-GFCCVEGCSA-N 1 0 237.343 1.943 10 0 BDAERO C[NH2+][C@H]1CCOC[C@H]1Oc1cccc(F)c1 ZINC000044056808 173466990 /nfs/dbraw/zinc/46/69/90/173466990.db2.gz IZFFKJGLFRSXJL-NWDGAFQWSA-N 1 0 225.263 1.581 10 0 BDAERO COC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000082341971 173654957 /nfs/dbraw/zinc/65/49/57/173654957.db2.gz NXMWODWHFZUEOD-NEPJUHHUSA-N 1 0 234.299 1.427 10 0 BDAERO 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COCCC[NH2+]CCOc1ccccc1C ZINC000041242689 174246716 /nfs/dbraw/zinc/24/67/16/174246716.db2.gz KYUICACZYOABJF-UHFFFAOYSA-N 1 0 223.316 2.000 10 0 BDAERO COCCCOC[C@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052597835 174255310 /nfs/dbraw/zinc/25/53/10/174255310.db2.gz INRMUKALSOXXFS-QWHCGFSZSA-N 1 0 245.363 1.585 10 0 BDAERO COCCCO[C@H](C[NH3+])c1cccc(OC)c1 ZINC000043031220 174256242 /nfs/dbraw/zinc/25/62/42/174256242.db2.gz ILBDOCRXQXPJRU-CYBMUJFWSA-N 1 0 239.315 1.748 10 0 BDAERO COCCCOc1cc2c(cc1C[NH3+])OCO2 ZINC000042874026 174256998 /nfs/dbraw/zinc/25/69/98/174256998.db2.gz WJZJCRVOCWMACK-UHFFFAOYSA-N 1 0 239.271 1.289 10 0 BDAERO COCCC[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000179293680 174260790 /nfs/dbraw/zinc/26/07/90/174260790.db2.gz OISUPBXCSBFOFJ-GFCCVEGCSA-N 1 0 225.336 1.596 10 0 BDAERO COCCC[C@H](C)[NH2+][C@H]1CCO[C@H]1C ZINC000308555497 174264847 /nfs/dbraw/zinc/26/48/47/174264847.db2.gz ZDBZYUZSUCGMID-DCAQKATOSA-N 1 0 201.310 1.569 10 0 BDAERO COCC[N@H+](C)CCC(=O)c1ccccc1F 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10 0 BDAERO COCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000036851806 174339064 /nfs/dbraw/zinc/33/90/64/174339064.db2.gz FDYCYIRWYGLVFP-LLVKDONJSA-N 1 0 207.273 1.616 10 0 BDAERO COCCNc1nc(C)c(CC[NH3+])s1 ZINC000057497482 174341674 /nfs/dbraw/zinc/34/16/74/174341674.db2.gz QCGGHIVKYFXZPO-UHFFFAOYSA-N 1 0 215.322 1.011 10 0 BDAERO COCCOCc1ccccc1C(N)=[NH2+] ZINC000019514093 174364124 /nfs/dbraw/zinc/36/41/24/174364124.db2.gz DSBVMDYTTVRHTE-UHFFFAOYSA-N 1 0 208.261 1.134 10 0 BDAERO COCCO[C@H]1CCCCCC[C@H]1[NH3+] ZINC000019394405 174366491 /nfs/dbraw/zinc/36/64/91/174366491.db2.gz OSSPFRYPYFSKNE-MNOVXSKESA-N 1 0 201.310 1.700 10 0 BDAERO COCCOc1ccc(C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000071564239 174367826 /nfs/dbraw/zinc/36/78/26/174367826.db2.gz VKYPHDCAECXMKP-ZDUSSCGKSA-N 1 0 249.310 1.647 10 0 BDAERO COCCOc1ccc(NCCC[NH3+])cc1 ZINC000107287829 174368776 /nfs/dbraw/zinc/36/87/76/174368776.db2.gz TVKWXAJGQZPSCA-UHFFFAOYSA-N 1 0 224.304 1.473 10 0 BDAERO COCC[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000176108935 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XPYNQXVJTAFSHM-JTQLQIEISA-N 1 0 235.262 1.800 10 0 BDAERO COc1ccc(C[C@H](O)C[NH2+]C2CC2)cc1 ZINC000071523039 175117275 /nfs/dbraw/zinc/11/72/75/175117275.db2.gz ZRSLZHTXZHPOCE-LBPRGKRZSA-N 1 0 221.300 1.351 10 0 BDAERO COc1ccc(Cl)cc1N1C[C@H]([NH3+])CC1=O ZINC000035679637 175121245 /nfs/dbraw/zinc/12/12/45/175121245.db2.gz ZTLQVNPKPOPKJT-MRVPVSSYSA-N 1 0 240.690 1.413 10 0 BDAERO COc1ccc(Cl)cc1[C@@H]([NH3+])CN(C)C ZINC000071533855 175122271 /nfs/dbraw/zinc/12/22/71/175122271.db2.gz VEKRJRJROHNVOA-JTQLQIEISA-N 1 0 228.723 1.910 10 0 BDAERO COc1ccc(F)cc1N1CCC[NH2+]CC1 ZINC000043461686 175131484 /nfs/dbraw/zinc/13/14/84/175131484.db2.gz ZFNHNYNHSYOWQI-UHFFFAOYSA-N 1 0 224.279 1.634 10 0 BDAERO COc1ccc(F)cc1[C@@H]([NH3+])[C@@H]1CCOC1 ZINC000048622933 175131921 /nfs/dbraw/zinc/13/19/21/175131921.db2.gz LIABPGZZEOEISV-PELKAZGASA-N 1 0 225.263 1.871 10 0 BDAERO COc1ccc(F)cc1[C@H](O)[C@@H]([NH3+])C(C)C ZINC000071533178 175134039 /nfs/dbraw/zinc/13/40/39/175134039.db2.gz 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WIUPSOMVTZKAQS-NSHDSACASA-N 1 0 225.288 1.299 10 0 BDAERO COc1ccc(OC)c([C@@H]([NH3+])Cn2ccnc2)c1 ZINC000023066255 175168232 /nfs/dbraw/zinc/16/82/32/175168232.db2.gz HANMZKVTNOJNAX-LBPRGKRZSA-N 1 0 247.298 1.600 10 0 BDAERO COc1ccc(OC)c([C@H]([NH3+])CCO)c1 ZINC000019784059 175168786 /nfs/dbraw/zinc/16/87/86/175168786.db2.gz XVKIIVVSHNAOAI-SNVBAGLBSA-N 1 0 211.261 1.086 10 0 BDAERO COc1ccc(OC)c([C@]2(C)C[C@H]2[NH3+])c1 ZINC000052126469 175169877 /nfs/dbraw/zinc/16/98/77/175169877.db2.gz SNDBIENVFBWYMZ-NEPJUHHUSA-N 1 0 207.273 1.693 10 0 BDAERO COc1ccc(OCCC[NH3+])c(OC)c1C ZINC000107287920 175172791 /nfs/dbraw/zinc/17/27/91/175172791.db2.gz QWDXBCKIRKPSOZ-UHFFFAOYSA-N 1 0 225.288 1.740 10 0 BDAERO COc1ccc([C@@H](O)CC[NH2+]C2CC2)cc1 ZINC000049818371 175180839 /nfs/dbraw/zinc/18/08/39/175180839.db2.gz MHSSZQVEOKIWOY-ZDUSSCGKSA-N 1 0 221.300 1.871 10 0 BDAERO COc1ccc([C@@H](O)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000083140147 175181316 /nfs/dbraw/zinc/18/13/16/175181316.db2.gz DAKZBYGTDJZAHW-QWHCGFSZSA-N 1 0 221.300 1.789 10 0 BDAERO COc1ccc([C@@H](O)[C@@H](C)C[NH3+])cc1C ZINC000082376063 175181353 /nfs/dbraw/zinc/18/13/53/175181353.db2.gz IDSYFPTUUCJTGA-CABZTGNLSA-N 1 0 209.289 1.632 10 0 BDAERO COc1ccc([C@@H]2C[NH2+]CCCO2)cc1F ZINC000035598885 175184080 /nfs/dbraw/zinc/18/40/80/175184080.db2.gz HJMPQTVQWRCCDN-LBPRGKRZSA-N 1 0 225.263 1.885 10 0 BDAERO COc1ccc([C@@H]2C[NH2+][C@H](C)CO2)cc1 ZINC000032011702 175184793 /nfs/dbraw/zinc/18/47/93/175184793.db2.gz CFKIYIHDMWNNLB-SKDRFNHKSA-N 1 0 207.273 1.745 10 0 BDAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCO)C2)cc1 ZINC000083110029 175185626 /nfs/dbraw/zinc/18/56/26/175185626.db2.gz OGZABVBMRSIQQQ-WCQYABFASA-N 1 0 235.327 1.865 10 0 BDAERO COc1ccc([C@@](C)([NH3+])CCO)cc1OC ZINC000082540092 175186283 /nfs/dbraw/zinc/18/62/83/175186283.db2.gz VWCCKUAPKOBRIU-LBPRGKRZSA-N 1 0 225.288 1.260 10 0 BDAERO COc1ccc([C@@H]2OC[C@H](C[NH3+])O2)cc1OC ZINC000049829547 175186320 /nfs/dbraw/zinc/18/63/20/175186320.db2.gz WYUPNGAMQASSGN-JOYOIKCWSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc([C@H]([NH3+])[C@H](C)S(C)(=O)=O)cc1 ZINC000054930025 175191825 /nfs/dbraw/zinc/19/18/25/175191825.db2.gz AHSGYIOTXZDVIZ-GZMMTYOYSA-N 1 0 243.328 1.128 10 0 BDAERO COc1ccc([C@H](O)C2CC[NH2+]CC2)cc1F ZINC000035424741 175193172 /nfs/dbraw/zinc/19/31/72/175193172.db2.gz VTLKLYVZZNMNIF-CYBMUJFWSA-N 1 0 239.290 1.867 10 0 BDAERO COc1ccc([C@H]([C@@H](C)[NH3+])N(C)CCO)cc1 ZINC000042961307 175193960 /nfs/dbraw/zinc/19/39/60/175193960.db2.gz JBHBYZUFIHCFLC-MFKMUULPSA-N 1 0 238.331 1.008 10 0 BDAERO COc1ccc([C@H]2OC[C@H](C[NH3+])O2)cc1OC ZINC000049829548 175199035 /nfs/dbraw/zinc/19/90/35/175199035.db2.gz WYUPNGAMQASSGN-CABZTGNLSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc([C@](C)([NH2+]CC2CC2)C(N)=O)cc1 ZINC000037952162 175199850 /nfs/dbraw/zinc/19/98/50/175199850.db2.gz DCIHGXNTLMZJDP-AWEZNQCLSA-N 1 0 248.326 1.395 10 0 BDAERO COc1ccc2c(c1)CC[C@@H]([NH+](C)C)[C@H]2N ZINC000019271430 175209395 /nfs/dbraw/zinc/20/93/95/175209395.db2.gz UWXZZKVMPZWKOL-OLZOCXBDSA-N 1 0 220.316 1.571 10 0 BDAERO COc1ccc2c(c1)[C@H](C)[N@@H+](C)C[C@@H]2O ZINC000039105640 175215767 /nfs/dbraw/zinc/21/57/67/175215767.db2.gz VCCPFMWDNIGJPR-UFBFGSQYSA-N 1 0 207.273 1.735 10 0 BDAERO COc1ccc2cc([C@@H]([NH3+])CO)ccc2c1 ZINC000038124657 175224384 /nfs/dbraw/zinc/22/43/84/175224384.db2.gz XERYRVFWRFUBIZ-ZDUSSCGKSA-N 1 0 217.268 1.841 10 0 BDAERO COc1ccc2cc([C@H](O)C[NH3+])ccc2c1 ZINC000020216680 175225817 /nfs/dbraw/zinc/22/58/17/175225817.db2.gz BCEXJMFVZFCSNH-CYBMUJFWSA-N 1 0 217.268 1.841 10 0 BDAERO COc1ccc2sc(CC[NH3+])nc2c1 ZINC000082945660 175231931 /nfs/dbraw/zinc/23/19/31/175231931.db2.gz QMNQVXKGFRVOTF-UHFFFAOYSA-N 1 0 208.286 1.806 10 0 BDAERO COc1cccc(-c2cc(C[NH3+])nc(C)n2)c1 ZINC000020388493 175233587 /nfs/dbraw/zinc/23/35/87/175233587.db2.gz WQTXVSPNARKMNF-UHFFFAOYSA-N 1 0 229.283 1.919 10 0 BDAERO COc1cccc(-c2nc(CCC[NH3+])no2)c1 ZINC000019682266 175236841 /nfs/dbraw/zinc/23/68/41/175236841.db2.gz PXDHUJGJPYEALF-UHFFFAOYSA-N 1 0 233.271 1.637 10 0 BDAERO COc1cccc(CC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000041260729 175250882 /nfs/dbraw/zinc/25/08/82/175250882.db2.gz DAHLKAFOTBWAKK-GFCCVEGCSA-N 1 0 233.311 1.806 10 0 BDAERO COc1cccc(CC[NH3+])c1OCc1ccno1 ZINC000037721643 175252047 /nfs/dbraw/zinc/25/20/47/175252047.db2.gz DRNNCZYZQCPDJU-UHFFFAOYSA-N 1 0 248.282 1.763 10 0 BDAERO COc1cccc(C[NH2+]CCc2nc(C)no2)n1 ZINC000190960347 175264663 /nfs/dbraw/zinc/26/46/63/175264663.db2.gz XMIGBHOYUFABJA-UHFFFAOYSA-N 1 0 248.286 1.114 10 0 BDAERO COc1cccc(COC(=O)CC[NH3+])c1 ZINC000040410811 175269791 /nfs/dbraw/zinc/26/97/91/175269791.db2.gz QXPCNOWCSRHDAO-UHFFFAOYSA-N 1 0 209.245 1.087 10 0 BDAERO COc1cccc(C[C@H]([NH3+])[C@@H]2CCOC2)c1 ZINC000048627559 175272439 /nfs/dbraw/zinc/27/24/39/175272439.db2.gz STFZLVALMOZVEU-YPMHNXCESA-N 1 0 221.300 1.602 10 0 BDAERO COc1cccc(C[C@H]2C[NH2+]CC[C@H]2O)c1 ZINC000071522986 175272787 /nfs/dbraw/zinc/27/27/87/175272787.db2.gz WMSRQUZBKIYXOX-WCQYABFASA-N 1 0 221.300 1.208 10 0 BDAERO COc1cccc(C[C@H](O)[C@H]2CCC[NH2+]C2)c1 ZINC000041266112 175272831 /nfs/dbraw/zinc/27/28/31/175272831.db2.gz YTLMKGFRGUXKGL-JSGCOSHPSA-N 1 0 235.327 1.598 10 0 BDAERO COc1cccc(N(CCC[NH3+])CC(C)C)n1 ZINC000104120731 175274922 /nfs/dbraw/zinc/27/49/22/175274922.db2.gz URZBFLCOZPXPDM-UHFFFAOYSA-N 1 0 237.347 1.901 10 0 BDAERO COc1cccc(N2CC[NH2+]C[C@H](C)C2)c1 ZINC000049661759 175275183 /nfs/dbraw/zinc/27/51/83/175275183.db2.gz UIQYFLMUZFRAOU-NSHDSACASA-N 1 0 220.316 1.741 10 0 BDAERO COc1cccc(N(C)C(=O)CC[NH3+])c1 ZINC000020262329 175275297 /nfs/dbraw/zinc/27/52/97/175275297.db2.gz AARDKQUSEYMWIO-UHFFFAOYSA-N 1 0 208.261 1.007 10 0 BDAERO COc1cccc(NC(=O)CSCC[NH3+])c1 ZINC000019502949 175276537 /nfs/dbraw/zinc/27/65/37/175276537.db2.gz SEYGNNOERWXFTM-UHFFFAOYSA-N 1 0 240.328 1.326 10 0 BDAERO COc1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043324388 175280091 /nfs/dbraw/zinc/28/00/91/175280091.db2.gz JBVNINHYDAFWBO-LLVKDONJSA-N 1 0 206.289 1.859 10 0 BDAERO COc1cccc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000104120787 175280242 /nfs/dbraw/zinc/28/02/42/175280242.db2.gz CONNKPPTRMSDQE-JTQLQIEISA-N 1 0 233.315 1.739 10 0 BDAERO COc1cccc(OC)c1CNCC[NH+](C)C ZINC000083366293 175281649 /nfs/dbraw/zinc/28/16/49/175281649.db2.gz IQXRGLGWGYLJFX-UHFFFAOYSA-N 1 0 238.331 1.355 10 0 BDAERO COc1cccc(SC[C@@H](O)C[NH3+])c1 ZINC000019865158 175285883 /nfs/dbraw/zinc/28/58/83/175285883.db2.gz FDUYWRJZCOSGNP-QMMMGPOBSA-N 1 0 213.302 1.107 10 0 BDAERO COc1cccc([C@@H](O)CC[NH2+]C2CC2)c1 ZINC000049818379 175288516 /nfs/dbraw/zinc/28/85/16/175288516.db2.gz OBVCAKCCDNJERL-ZDUSSCGKSA-N 1 0 221.300 1.871 10 0 BDAERO COc1cccc([C@@](O)(C[NH3+])C(F)(F)F)c1 ZINC000039042076 175291651 /nfs/dbraw/zinc/29/16/51/175291651.db2.gz VXRGJURWSZDMMK-VIFPVBQESA-N 1 0 235.205 1.404 10 0 BDAERO COc1cccc([C@H](C[NH3+])n2cccn2)c1 ZINC000043028705 175294542 /nfs/dbraw/zinc/29/45/42/175294542.db2.gz HCPIHVOFMIWTOL-LBPRGKRZSA-N 1 0 217.272 1.440 10 0 BDAERO COc1cccc([C@H]2C[NH2+]CCO2)c1OC ZINC000083041839 175295795 /nfs/dbraw/zinc/29/57/95/175295795.db2.gz XLNKEVDATLYCQT-LLVKDONJSA-N 1 0 223.272 1.365 10 0 BDAERO COc1cccc([C@H]2C[NH2+]CCCO2)c1 ZINC000035598708 175295971 /nfs/dbraw/zinc/29/59/71/175295971.db2.gz WDCGGULHWSHCIF-GFCCVEGCSA-N 1 0 207.273 1.746 10 0 BDAERO COc1cccc([C@]2(O)CCC[NH2+]C2)c1 ZINC000071510474 175297213 /nfs/dbraw/zinc/29/72/13/175297213.db2.gz ZHVVKZZITMJIDF-LBPRGKRZSA-N 1 0 207.273 1.266 10 0 BDAERO COc1cccc([C@]2(C)C[C@@]2(C[NH3+])CO)c1 ZINC000070501075 175297655 /nfs/dbraw/zinc/29/76/55/175297655.db2.gz PAJBSKKLHBYYCX-QWHCGFSZSA-N 1 0 221.300 1.294 10 0 BDAERO COc1cccc2c1CC[NH2+][C@@H]2c1cnn(C)c1 ZINC000083665565 175302480 /nfs/dbraw/zinc/30/24/80/175302480.db2.gz HCUXJYVGZCACKQ-CQSZACIVSA-N 1 0 243.310 1.664 10 0 BDAERO COc1cccc2c1C[C@]1(C[NH+]=CN1)CC2 ZINC000013743726 175303636 /nfs/dbraw/zinc/30/36/36/175303636.db2.gz ZZZDJNQQTGBTNX-ZDUSSCGKSA-N 1 0 216.284 1.554 10 0 BDAERO COc1cccc2c1S(=O)(=O)[C@@H](C)C[C@@H]2[NH3+] ZINC000041030811 175304960 /nfs/dbraw/zinc/30/49/60/175304960.db2.gz PQZYUYIYBLWFED-CBAPKCEASA-N 1 0 241.312 1.261 10 0 BDAERO COc1cccc2c1[S@](=O)CC[C@@H]2[NH3+] ZINC000041031239 175305802 /nfs/dbraw/zinc/30/58/02/175305802.db2.gz SVRYTCJPAVZART-RTHLEPHNSA-N 1 0 211.286 1.206 10 0 BDAERO COc1ccccc1CCN1CCC[C@H]([NH3+])C1=O ZINC000076692667 175322385 /nfs/dbraw/zinc/32/23/85/175322385.db2.gz ANJKCELHDBAHLG-LBPRGKRZSA-N 1 0 248.326 1.187 10 0 BDAERO COc1ccccc1CCN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000071563474 175322879 /nfs/dbraw/zinc/32/28/79/175322879.db2.gz OKGSJNVQCVLCIB-CHWSQXEVSA-N 1 0 248.370 1.920 10 0 BDAERO COc1ccccc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000128039758 175327864 /nfs/dbraw/zinc/32/78/64/175327864.db2.gz GXFSCFMFESBQIT-GFCCVEGCSA-N 1 0 235.327 1.900 10 0 BDAERO COc1ccccc1Cn1cnc(CC[NH3+])c1 ZINC000071535301 175334456 /nfs/dbraw/zinc/33/44/56/175334456.db2.gz KEGAYVALPOKUDI-UHFFFAOYSA-N 1 0 231.299 1.441 10 0 BDAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])n1ccnc1 ZINC000043098673 175348812 /nfs/dbraw/zinc/34/88/12/175348812.db2.gz NMGWJQUUZJCFQE-ZWNOBZJWSA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccccc1[C@@H]([C@H](C)[NH3+])n1cccn1 ZINC000043098633 175349157 /nfs/dbraw/zinc/34/91/57/175349157.db2.gz XOVXWDWAYIYOKZ-GXFFZTMASA-N 1 0 231.299 1.828 10 0 BDAERO COc1ccccc1[C@H](C[NH3+])n1ccnc1 ZINC000043098666 175353713 /nfs/dbraw/zinc/35/37/13/175353713.db2.gz QKXYJIMKKQVHTR-NSHDSACASA-N 1 0 217.272 1.440 10 0 BDAERO COc1cncc(N2CC[C@@]3(CCC[N@@H+]3C)C2)c1 ZINC000013975448 175386811 /nfs/dbraw/zinc/38/68/11/175386811.db2.gz LSWMRRNRJLGHGW-AWEZNQCLSA-N 1 0 247.342 1.765 10 0 BDAERO CSCc1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000054494141 175533708 /nfs/dbraw/zinc/53/37/08/175533708.db2.gz ZYYDKACFQQKFIF-SSDOTTSWSA-N 1 0 213.306 1.227 10 0 BDAERO CS[C@@H]1CCCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237410881 175547176 /nfs/dbraw/zinc/54/71/76/175547176.db2.gz SQRZTJYFPLRYCT-MNOVXSKESA-N 1 0 242.388 1.483 10 0 BDAERO C[C@@H](C1CCCCC1)N1CC[C@H]([NH3+])C1=O ZINC000052340393 175636898 /nfs/dbraw/zinc/63/68/98/175636898.db2.gz PGLOXGHMXKGDFM-ONGXEEELSA-N 1 0 210.321 1.515 10 0 BDAERO C[C@@H](CC1CC1)NC(=O)C1(C[NH3+])CCOCC1 ZINC000070102516 175655077 /nfs/dbraw/zinc/65/50/77/175655077.db2.gz GWMZRVIKFKZFGC-JTQLQIEISA-N 1 0 240.347 1.047 10 0 BDAERO C[C@@H](C(=O)N[C@@H](C)CC1CC1)C1C[NH2+]C1 ZINC000129253666 175655729 /nfs/dbraw/zinc/65/57/29/175655729.db2.gz BFICUORDGDRXHX-DTWKUNHWSA-N 1 0 210.321 1.147 10 0 BDAERO C[C@@H](CC[NH3+])Nc1ncncc1Cl ZINC000163768069 175673748 /nfs/dbraw/zinc/67/37/48/175673748.db2.gz JXVWHRVROWTGMC-LURJTMIESA-N 1 0 200.673 1.279 10 0 BDAERO C[C@@H](C[NH3+])CN(C)C(=O)N1CCCCC1 ZINC000082642358 175707415 /nfs/dbraw/zinc/70/74/15/175707415.db2.gz LKSSTKFVNPYHJM-JTQLQIEISA-N 1 0 213.325 1.119 10 0 BDAERO C[C@@H](C[NH3+])CN(C)C(=O)c1ccc(F)cc1 ZINC000042454896 175707545 /nfs/dbraw/zinc/70/75/45/175707545.db2.gz FEWIOIAPLWGIEL-VIFPVBQESA-N 1 0 224.279 1.493 10 0 BDAERO C[C@@H]([NH3+])C(=O)N(Cc1ccco1)C1CC1 ZINC000037806101 175794756 /nfs/dbraw/zinc/79/47/56/175794756.db2.gz NWBZTIAEARZDRP-MRVPVSSYSA-N 1 0 208.261 1.118 10 0 BDAERO C[C@@H]([NH3+])CCNc1ccc(OC(F)F)cn1 ZINC000328104635 175806067 /nfs/dbraw/zinc/80/60/67/175806067.db2.gz WNDBBYKOPIECQH-SSDOTTSWSA-N 1 0 231.246 1.832 10 0 BDAERO C[C@@H]([NH3+])c1ccc(Sc2nnnn2C)cc1 ZINC000019873873 175817789 /nfs/dbraw/zinc/81/77/89/175817789.db2.gz UXGOZRACFGOBPK-SSDOTTSWSA-N 1 0 235.316 1.381 10 0 BDAERO C[C@@H]([NH2+]CC(N)=O)c1ccc(F)c(F)c1 ZINC000058552012 175866643 /nfs/dbraw/zinc/86/66/43/175866643.db2.gz UWRFISWLTGTQHS-ZCFIWIBFSA-N 1 0 214.215 1.101 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CCOC1)C(=O)NC1CCCC1 ZINC000038094180 175889462 /nfs/dbraw/zinc/88/94/62/175889462.db2.gz ZTONMELHKAHQNC-MNOVXSKESA-N 1 0 240.347 1.060 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1N(C)C[C@@H](C)O ZINC000051821014 175968921 /nfs/dbraw/zinc/96/89/21/175968921.db2.gz APFWXDBJIFCMAI-NXEZZACHSA-N 1 0 208.305 1.523 10 0 BDAERO C[C@@H](O)c1ccccc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000049547216 176000076 /nfs/dbraw/zinc/00/00/76/176000076.db2.gz QXUBQEFAVXIVGE-MNOVXSKESA-N 1 0 248.326 1.821 10 0 BDAERO C[C@@H](OCCC1CC[NH2+]CC1)c1cnccn1 ZINC000095068621 176002138 /nfs/dbraw/zinc/00/21/38/176002138.db2.gz FKTUEVOFPOZJBI-LLVKDONJSA-N 1 0 235.331 1.944 10 0 BDAERO C[C@@H](Oc1ccccc1CC[NH3+])C(=O)NC1CC1 ZINC000037720565 176005426 /nfs/dbraw/zinc/00/54/26/176005426.db2.gz YJGSVICALIVNAI-SNVBAGLBSA-N 1 0 248.326 1.234 10 0 BDAERO C[C@@H]([NH3+])[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000083592337 176011323 /nfs/dbraw/zinc/01/13/23/176011323.db2.gz DTDZBVSSQYTRBU-SFYZADRCSA-N 1 0 218.256 1.018 10 0 BDAERO C[C@@H](c1ccccc1F)N(C)C1C[NH2+]C1 ZINC000062014545 176024679 /nfs/dbraw/zinc/02/46/79/176024679.db2.gz HCURCNAGMQZUCZ-VIFPVBQESA-N 1 0 208.280 1.790 10 0 BDAERO C[C@@H](c1cccnc1)N1CC[NH2+][C@H](C)CC1 ZINC000049662165 176030617 /nfs/dbraw/zinc/03/06/17/176030617.db2.gz XOZHWJZTHLVLKU-NEPJUHHUSA-N 1 0 219.332 1.826 10 0 BDAERO C[C@@H](c1cccs1)N1CC[C@@H]([NH3+])C1=O ZINC000049648769 176033726 /nfs/dbraw/zinc/03/37/26/176033726.db2.gz XDKBRYJLUBAXHU-JGVFFNPUSA-N 1 0 210.302 1.369 10 0 BDAERO C[C@@H]1CC(=O)N(Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263939 176048462 /nfs/dbraw/zinc/04/84/62/176048462.db2.gz CBWNYBSNKDKUDU-SECBINFHSA-N 1 0 236.290 1.653 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1CCn1cc(N)cn1 ZINC000050614573 176072385 /nfs/dbraw/zinc/07/23/85/176072385.db2.gz OIOWQEAQPZTZSR-SNVBAGLBSA-N 1 0 208.309 1.340 10 0 BDAERO C[C@@H]1CCCC[N@@H+]1[C@@H](CN)[C@@H]1CCOC1 ZINC000022214217 176074971 /nfs/dbraw/zinc/07/49/71/176074971.db2.gz GQKVXSCQFJJPSW-UTUOFQBUSA-N 1 0 212.337 1.225 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCn1ncccc1=O ZINC000061405197 176080729 /nfs/dbraw/zinc/08/07/29/176080729.db2.gz IWOFIEVRCVQCGH-NEPJUHHUSA-N 1 0 235.331 1.412 10 0 BDAERO C[C@@H]1CCCC[C@]1(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217746 176090228 /nfs/dbraw/zinc/09/02/28/176090228.db2.gz HKJGBXOBIKXYGI-ZIAGYGMSSA-N 1 0 239.407 1.532 10 0 BDAERO C[C@@H]1CCCN(C(=O)N(C)CCC[NH3+])C1 ZINC000082642370 176092874 /nfs/dbraw/zinc/09/28/74/176092874.db2.gz ORGZVTROJWOTFP-SNVBAGLBSA-N 1 0 213.325 1.119 10 0 BDAERO C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2N)C1 ZINC000037272144 176100348 /nfs/dbraw/zinc/10/03/48/176100348.db2.gz GTINLHRFKMKPGH-SNVBAGLBSA-N 1 0 247.342 1.600 10 0 BDAERO C[C@@H]1CCCN(c2ccnc(C(N)=[NH2+])c2)CC1 ZINC000104354823 176102613 /nfs/dbraw/zinc/10/26/13/176102613.db2.gz VMXZKHXIVQZWAQ-SNVBAGLBSA-N 1 0 232.331 1.992 10 0 BDAERO C[C@@H]1CCCN1C(=O)C1CCC(C[NH3+])CC1 ZINC000055144980 176104580 /nfs/dbraw/zinc/10/45/80/176104580.db2.gz ZLBBXWMRJRXEBG-VOMCLLRMSA-N 1 0 224.348 1.762 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)NCC(C)(C)C ZINC000051793234 176112664 /nfs/dbraw/zinc/11/26/64/176112664.db2.gz CARFVFDWSJRSMF-NXEZZACHSA-N 1 0 212.337 1.537 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)N(C)C2CCCC2)[NH2+]1 ZINC000037092987 176112950 /nfs/dbraw/zinc/11/29/50/176112950.db2.gz WTBJNXXCMUYLCR-PWSUYJOCSA-N 1 0 224.348 1.918 10 0 BDAERO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019899791 176114317 /nfs/dbraw/zinc/11/43/17/176114317.db2.gz IJORPTASVOWSRJ-GMTAPVOTSA-N 1 0 245.388 1.588 10 0 BDAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)C2)[C@@H]1C ZINC000022162753 176124104 /nfs/dbraw/zinc/12/41/04/176124104.db2.gz GJEADLQAHJGJGM-DDHJBXDOSA-N 1 0 245.388 1.588 10 0 BDAERO C[C@@H]1CCC[C@@H](Oc2nccnc2C[NH3+])C1 ZINC000054378598 176125463 /nfs/dbraw/zinc/12/54/63/176125463.db2.gz MCSVQBUNKIYPSD-NXEZZACHSA-N 1 0 221.304 1.893 10 0 BDAERO C[C@@H]1CCC[C@@](CO)([NH2+]Cc2cnn(C)c2)C1 ZINC000053116156 176133697 /nfs/dbraw/zinc/13/36/97/176133697.db2.gz MMDHTGTUXRTZPI-DGCLKSJQSA-N 1 0 237.347 1.451 10 0 BDAERO C[C@@H]1CCC[C@@]([NH3+])(CCS(C)(=O)=O)C1 ZINC000053752269 176133974 /nfs/dbraw/zinc/13/39/74/176133974.db2.gz BJHPUCQWZNHVBK-NXEZZACHSA-N 1 0 219.350 1.329 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)NCC2CCCC2)[NH2+]1 ZINC000037258983 176135278 /nfs/dbraw/zinc/13/52/78/176135278.db2.gz NBGIVENMUMDBKO-ZYHUDNBSSA-N 1 0 224.348 1.823 10 0 BDAERO C[C@@H]1CCN(C(=O)CC2CCC2)[C@@H](C[NH3+])C1 ZINC000235319641 176154328 /nfs/dbraw/zinc/15/43/28/176154328.db2.gz WVRDXHJIWANNKG-ZYHUDNBSSA-N 1 0 224.348 1.762 10 0 BDAERO C[C@@H]1CCN(C(=O)C2CCC2)[C@@H](C[NH3+])C1 ZINC000235318184 176154927 /nfs/dbraw/zinc/15/49/27/176154927.db2.gz DQVHFRPSZYITRW-MWLCHTKSSA-N 1 0 210.321 1.372 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000235325403 176156068 /nfs/dbraw/zinc/15/60/68/176156068.db2.gz IBAFEAYTMRASGG-UTUOFQBUSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@@H]1CCN(C(=O)NC2CCC2)[C@@H](C[NH3+])C1 ZINC000235336956 176157975 /nfs/dbraw/zinc/15/79/75/176157975.db2.gz RWFQTRYCDJTEEU-MWLCHTKSSA-N 1 0 225.336 1.308 10 0 BDAERO C[C@@H]1CC[N@H+](CC2(CO)CCOCC2)[C@H](C)C1 ZINC000052199944 176169102 /nfs/dbraw/zinc/16/91/02/176169102.db2.gz VCHJRMRGFNSLHM-CHWSQXEVSA-N 1 0 241.375 1.896 10 0 BDAERO C[C@@H]1CC[N@H+](Cc2ccc(O)c(N)c2)C1 ZINC000040716960 176175943 /nfs/dbraw/zinc/17/59/43/176175943.db2.gz HBDQJSGNERCXLW-SECBINFHSA-N 1 0 206.289 1.816 10 0 BDAERO C[C@@H]1CC[NH2+]CCCN1C(=O)OC(C)(C)C ZINC000082350114 176184601 /nfs/dbraw/zinc/18/46/01/176184601.db2.gz FQUXZDQJZOEDBI-SNVBAGLBSA-N 1 0 228.336 1.995 10 0 BDAERO C[C@@H]1CC[C@@H](CNC(=O)C2CCCC2)C[NH2+]1 ZINC000062036643 176204445 /nfs/dbraw/zinc/20/44/45/176204445.db2.gz DCLLAHMJVIBASO-GHMZBOCLSA-N 1 0 224.348 1.681 10 0 BDAERO C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1[NH3+] ZINC000235358475 176259978 /nfs/dbraw/zinc/25/99/78/176259978.db2.gz BVQQQHQGIANREX-SVRRBLITSA-N 1 0 227.695 1.087 10 0 BDAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CO ZINC000309750806 176274337 /nfs/dbraw/zinc/27/43/37/176274337.db2.gz GQTDRISCAZHIJC-VOAKCMCISA-N 1 0 226.364 1.077 10 0 BDAERO C[C@@H]1C[NH+](C2CCC(=O)CC2)C[C@@H](C)O1 ZINC000036532674 176281652 /nfs/dbraw/zinc/28/16/52/176281652.db2.gz RRJKRACMYODCBJ-NXEZZACHSA-N 1 0 211.305 1.607 10 0 BDAERO C[C@@H]1CN(CC2([NH3+])CCCCC2)CCO1 ZINC000020072106 176284694 /nfs/dbraw/zinc/28/46/94/176284694.db2.gz MVOFCXAWLSRNOH-LLVKDONJSA-N 1 0 212.337 1.369 10 0 BDAERO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000042171752 176293280 /nfs/dbraw/zinc/29/32/80/176293280.db2.gz XSFDNQKKICPKOA-UTUOFQBUSA-N 1 0 212.337 1.238 10 0 BDAERO C[C@@H]1CN(C[C@@H]2CCCC[NH2+]2)CC(C)(C)O1 ZINC000045693908 176298012 /nfs/dbraw/zinc/29/80/12/176298012.db2.gz LEVWNVVHMFZGCE-NEPJUHHUSA-N 1 0 226.364 1.628 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@H]1O ZINC000347011658 176298513 /nfs/dbraw/zinc/29/85/13/176298513.db2.gz RQGWNKCKPCBIGL-SCDSUCTJSA-N 1 0 217.312 1.639 10 0 BDAERO C[C@@H]1CN(Cc2ccccc2C(N)=[NH2+])CCO1 ZINC000019513769 176307506 /nfs/dbraw/zinc/30/75/06/176307506.db2.gz IBJAHKSEKASHLD-SNVBAGLBSA-N 1 0 233.315 1.191 10 0 BDAERO C[C@@H]1CN(Cc2ccoc2C[NH3+])[C@H](C)CO1 ZINC000052476465 176309565 /nfs/dbraw/zinc/30/95/65/176309565.db2.gz KSFRNFBUXFXWQW-NXEZZACHSA-N 1 0 224.304 1.348 10 0 BDAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)C[C@@H]1N(C)C ZINC000124741546 176315443 /nfs/dbraw/zinc/31/54/43/176315443.db2.gz QQTFTUBNICIMCH-NDBYEHHHSA-N 1 0 226.364 1.172 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOC1CCC1 ZINC000367845944 176323451 /nfs/dbraw/zinc/32/34/51/176323451.db2.gz BTZWDKHZXNMCGJ-OLZOCXBDSA-N 1 0 238.375 1.724 10 0 BDAERO C[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccco1 ZINC000041218003 176323985 /nfs/dbraw/zinc/32/39/85/176323985.db2.gz KWTZZUJZRIJAQO-SNVBAGLBSA-N 1 0 208.305 1.852 10 0 BDAERO C[C@@H]1C[NH2+]CCN1C(=O)Oc1ccccc1 ZINC000054370829 176325833 /nfs/dbraw/zinc/32/58/33/176325833.db2.gz RAUGIFUIKSQTIC-SNVBAGLBSA-N 1 0 220.272 1.479 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2ccccc21 ZINC000104222150 176329065 /nfs/dbraw/zinc/32/90/65/176329065.db2.gz YPRDLRTUABJZSL-PWSUYJOCSA-N 1 0 230.311 1.431 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000070530659 176330358 /nfs/dbraw/zinc/33/03/58/176330358.db2.gz IIEJDBZESBUOLN-YUSALJHKSA-N 1 0 246.310 1.092 10 0 BDAERO C[C@@H]1COCCN1C[C@H]([NH3+])c1ccccc1 ZINC000035775703 176337175 /nfs/dbraw/zinc/33/71/75/176337175.db2.gz GMNCPSDYXIKOLV-YPMHNXCESA-N 1 0 220.316 1.407 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H](O)Cc1ccccc1 ZINC000120833273 176346623 /nfs/dbraw/zinc/34/66/23/176346623.db2.gz KSYNZMYEBHYVBD-UMVBOHGHSA-N 1 0 249.354 1.699 10 0 BDAERO C[C@@H]1C[C@@H]1CN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000104425216 176391901 /nfs/dbraw/zinc/39/19/01/176391901.db2.gz JWJOLTOZYWMXBX-BNOWGMLFSA-N 1 0 246.354 1.843 10 0 BDAERO C[C@@H]1C[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000052287529 176405041 /nfs/dbraw/zinc/40/50/41/176405041.db2.gz XAXOEAKSNVVCHG-RQJHMYQMSA-N 1 0 201.220 1.776 10 0 BDAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336775916 176455461 /nfs/dbraw/zinc/45/54/61/176455461.db2.gz DCHINMNOUCBXHM-RHYQMDGZSA-N 1 0 224.348 1.822 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC000235307501 176459275 /nfs/dbraw/zinc/45/92/75/176459275.db2.gz AZBNWFHREXYLBG-LPEHRKFASA-N 1 0 210.321 1.289 10 0 BDAERO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000300422600 176476387 /nfs/dbraw/zinc/47/63/87/176476387.db2.gz JEEFFLXPCBKUKL-GMXVVIOVSA-N 1 0 245.363 1.320 10 0 BDAERO C[C@@H]1[C@@H]([NH2+]CC(C)(C)C)CCS1(=O)=O ZINC000307720730 176495141 /nfs/dbraw/zinc/49/51/41/176495141.db2.gz PFAVRBOXSZZIKN-BDAKNGLRSA-N 1 0 219.350 1.198 10 0 BDAERO C[C@@](O)(C[NH3+])COc1ccc2c(c1)CCC2 ZINC000019668053 176516124 /nfs/dbraw/zinc/51/61/24/176516124.db2.gz DLDRKNHGBKZXNQ-CYBMUJFWSA-N 1 0 221.300 1.264 10 0 BDAERO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH2+] ZINC000070660125 176649445 /nfs/dbraw/zinc/64/94/45/176649445.db2.gz ZGPNBGZCVPTYGN-SSDOTTSWSA-N 1 0 215.297 1.425 10 0 BDAERO C[C@H](C[NH3+])CN(C)c1ncnc2ccccc21 ZINC000042455545 176657961 /nfs/dbraw/zinc/65/79/61/176657961.db2.gz DXAGYSVFBYPWAS-SNVBAGLBSA-N 1 0 230.315 1.661 10 0 BDAERO C[C@H](CO)C[NH2+][C@H]1CCC12CCOCC2 ZINC000309004387 176693866 /nfs/dbraw/zinc/69/38/66/176693866.db2.gz PDSFNUIDAHNHMJ-QWRGUYRKSA-N 1 0 213.321 1.164 10 0 BDAERO C[C@H]([NH3+])CSc1nc2c([nH]1)CCCN2 ZINC000076131845 176761021 /nfs/dbraw/zinc/76/10/21/176761021.db2.gz MGNMMFPOZMRUCD-LURJTMIESA-N 1 0 212.322 1.207 10 0 BDAERO C[C@H]([NH3+])Cc1cnc(-c2ccco2)nc1 ZINC000054857725 176762658 /nfs/dbraw/zinc/76/26/58/176762658.db2.gz CCWSLVVLZGTZDU-QMMMGPOBSA-N 1 0 203.245 1.626 10 0 BDAERO C[C@H]([NH3+])Cc1noc(-c2ccncc2)n1 ZINC000054161329 176763573 /nfs/dbraw/zinc/76/35/73/176763573.db2.gz NDKVHPBZZJEAPZ-ZETCQYMHSA-N 1 0 204.233 1.021 10 0 BDAERO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCCCC1 ZINC000043126535 176766603 /nfs/dbraw/zinc/76/66/03/176766603.db2.gz SKGVKELTWZNCHX-JQWIXIFHSA-N 1 0 222.336 1.294 10 0 BDAERO C[C@H]([NH3+])[C@H](N1CCSCC1)C(C)(C)C ZINC000043291931 176770274 /nfs/dbraw/zinc/77/02/74/176770274.db2.gz LQTSIOVIYHHEFU-UWVGGRQHSA-N 1 0 216.394 1.797 10 0 BDAERO C[C@H]([NH3+])[C@H](Sc1cnccn1)c1cnn(C)c1 ZINC000104351229 176771698 /nfs/dbraw/zinc/77/16/98/176771698.db2.gz CEEUTNTWCCTBRR-KWQFWETISA-N 1 0 249.343 1.391 10 0 BDAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])C1CCOCC1 ZINC000226371539 176813847 /nfs/dbraw/zinc/81/38/47/176813847.db2.gz CJWVPUYTQZAAJP-DLOVCJGASA-N 1 0 240.347 1.045 10 0 BDAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000061366315 176813982 /nfs/dbraw/zinc/81/39/82/176813982.db2.gz OLNGOFMQRDPADW-UWVGGRQHSA-N 1 0 238.356 1.925 10 0 BDAERO C[C@H]([NH2+]CC(C)(C)C)C(=O)N1CCCC1 ZINC000040493946 176834116 /nfs/dbraw/zinc/83/41/16/176834116.db2.gz MPZJYYLLHGDZSP-JTQLQIEISA-N 1 0 212.337 1.633 10 0 BDAERO C[C@H]([NH2+]CC1CCOCC1)C(=O)NC(C)(C)C ZINC000070160988 176838244 /nfs/dbraw/zinc/83/82/44/176838244.db2.gz USXJYBHEAKAQGR-JTQLQIEISA-N 1 0 242.363 1.306 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000336697863 176912940 /nfs/dbraw/zinc/91/29/40/176912940.db2.gz OKXANMIKUHERRQ-IWDIQUIJSA-N 1 0 213.321 1.711 10 0 BDAERO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc[nH]c1 ZINC000093482849 177002350 /nfs/dbraw/zinc/00/23/50/177002350.db2.gz STCXMTHCNLPKFO-CMPLNLGQSA-N 1 0 208.305 1.750 10 0 BDAERO C[C@@H](Nc1ccncc1Cl)[C@H](C)O ZINC000306359730 177004767 /nfs/dbraw/zinc/00/47/67/177004767.db2.gz LHFDSOWBGDWODX-RQJHMYQMSA-N 1 0 200.669 1.916 10 0 BDAERO C[C@H](O)[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000041212396 177006395 /nfs/dbraw/zinc/00/63/95/177006395.db2.gz PENSHPRZZMWWKP-SSDLBLMSSA-N 1 0 203.644 1.860 10 0 BDAERO C[C@H](O)[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000096985869 177013267 /nfs/dbraw/zinc/01/32/67/177013267.db2.gz YSTNACGUDZKXLX-OIBJUYFYSA-N 1 0 244.132 1.700 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000049547247 177018151 /nfs/dbraw/zinc/01/81/51/177018151.db2.gz SPWVZPKJOYZNQA-QWRGUYRKSA-N 1 0 248.326 1.678 10 0 BDAERO C[C@H](O)c1ccccc1NC(=O)C1CC[NH2+]CC1 ZINC000049547240 177018234 /nfs/dbraw/zinc/01/82/34/177018234.db2.gz VUJIIMXMCAEQSN-JTQLQIEISA-N 1 0 248.326 1.678 10 0 BDAERO C[C@H]([C@@H]([NH3+])c1ccccc1)N1CCOCC1 ZINC000023069553 177030787 /nfs/dbraw/zinc/03/07/87/177030787.db2.gz XRYLITOSHBTBHD-DGCLKSJQSA-N 1 0 220.316 1.407 10 0 BDAERO C[C@H](c1ccc(O)cc1)N1CCC[C@H]([NH3+])C1 ZINC000041027763 177035035 /nfs/dbraw/zinc/03/50/35/177035035.db2.gz VPUDRMCLJBUJDG-PWSUYJOCSA-N 1 0 220.316 1.876 10 0 BDAERO C[C@H](c1cccc(F)c1)N1CC[C@H]([NH3+])C1=O ZINC000049660048 177036413 /nfs/dbraw/zinc/03/64/13/177036413.db2.gz QXDPOEZXOJTTFU-KCJUWKMLSA-N 1 0 222.263 1.446 10 0 BDAERO C[C@H]1CC(=O)N(CCOc2ccc(C[NH3+])cc2)C1 ZINC000062815978 177061591 /nfs/dbraw/zinc/06/15/91/177061591.db2.gz HVGXVRFDMJQIFD-NSHDSACASA-N 1 0 248.326 1.393 10 0 BDAERO C[C@H](c1ccc(C[NH3+])cc1)N1C(=O)C[C@H](C)C1=O ZINC000103102891 177062305 /nfs/dbraw/zinc/06/23/05/177062305.db2.gz ADWHOZSYOGVYJT-VHSXEESVSA-N 1 0 246.310 1.601 10 0 BDAERO C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCC(=O)[O-] ZINC000020376515 177074640 /nfs/dbraw/zinc/07/46/40/177074640.db2.gz AEKAKPNTIFCRBY-NSHDSACASA-N 1 0 228.336 1.315 10 0 BDAERO C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccnc1 ZINC000252099963 177076460 /nfs/dbraw/zinc/07/64/60/177076460.db2.gz GBLGCQBLXGKQBW-WCQYABFASA-N 1 0 220.316 1.989 10 0 BDAERO C[C@H]1CCCC[N@@H+]1[C@@H](CN)C1CCOCC1 ZINC000052176488 177078758 /nfs/dbraw/zinc/07/87/58/177078758.db2.gz LNOSIOMCKREOPG-AAEUAGOBSA-N 1 0 226.364 1.615 10 0 BDAERO C[C@H]1CCCC[C@]1([NH3+])C(=O)OCC1CC1 ZINC000041038361 177090031 /nfs/dbraw/zinc/09/00/31/177090031.db2.gz KLLCWXOXELHFMI-JOYOIKCWSA-N 1 0 211.305 1.847 10 0 BDAERO C[C@H]1CCCC[C@]1([NH3+])C(=O)OC1CCC1 ZINC000050929370 177090409 /nfs/dbraw/zinc/09/04/09/177090409.db2.gz OMWBSUOSERHSRN-JOYOIKCWSA-N 1 0 211.305 1.990 10 0 BDAERO C[C@H]1CCCN1c1nc2ccccn2c1C[NH3+] ZINC000037911847 177112944 /nfs/dbraw/zinc/11/29/44/177112944.db2.gz KEQPWTGNQHDXES-JTQLQIEISA-N 1 0 230.315 1.782 10 0 BDAERO C[C@H]1CCC[NH2+][C@H]1CNC(=O)c1cccc(O)c1 ZINC000071338551 177113181 /nfs/dbraw/zinc/11/31/81/177113181.db2.gz MDVHSGRAGKOXPY-GWCFXTLKSA-N 1 0 248.326 1.510 10 0 BDAERO C[C@H]1CCC[C@@H](C(=O)NCc2ccccc2)[NH2+]1 ZINC000019506873 177114052 /nfs/dbraw/zinc/11/40/52/177114052.db2.gz HLFHOFZGFPGFBT-AAEUAGOBSA-N 1 0 232.327 1.833 10 0 BDAERO C[C@H]1CCC[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000336781987 177124024 /nfs/dbraw/zinc/12/40/24/177124024.db2.gz WIHKAGHHXMSORH-QWRGUYRKSA-N 1 0 226.364 1.927 10 0 BDAERO C[C@H]1CCC[C@@](C[NH3+])(NC(=O)c2cccnc2)C1 ZINC000104305059 177127386 /nfs/dbraw/zinc/12/73/86/177127386.db2.gz BKMKUERBKCNLNI-SMDDNHRTSA-N 1 0 247.342 1.719 10 0 BDAERO C[C@H]1CCC[C@H](C)[NH+]1CCC1CS(=O)(=O)C1 ZINC000336426940 177131565 /nfs/dbraw/zinc/13/15/65/177131565.db2.gz ZFRGOEZUGYMMSS-QWRGUYRKSA-N 1 0 245.388 1.684 10 0 BDAERO C[C@H]1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)C1 ZINC000050949794 177146815 /nfs/dbraw/zinc/14/68/15/177146815.db2.gz HLJVUPIHSXLPHE-NWDGAFQWSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000050949789 177146970 /nfs/dbraw/zinc/14/69/70/177146970.db2.gz HLJVUPIHSXLPHE-RYUDHWBXSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@H]1CCN(C(=O)CC2CCC2)[C@H](C[NH3+])C1 ZINC000235650118 177147357 /nfs/dbraw/zinc/14/73/57/177147357.db2.gz WVRDXHJIWANNKG-JQWIXIFHSA-N 1 0 224.348 1.762 10 0 BDAERO C[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291135 177147573 /nfs/dbraw/zinc/14/75/73/177147573.db2.gz NURCWVDQBSRRNY-QWRGUYRKSA-N 1 0 210.321 1.245 10 0 BDAERO C[C@H]1CCN(C(=O)C[NH2+]C2CC2)[C@@H](C)C1 ZINC000051733161 177147871 /nfs/dbraw/zinc/14/78/71/177147871.db2.gz MVISLJVUUVITTJ-UWVGGRQHSA-N 1 0 210.321 1.385 10 0 BDAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCn1cc(N)cn1 ZINC000051729260 177162530 /nfs/dbraw/zinc/16/25/30/177162530.db2.gz REMXWJYTVYGBAX-WDEREUQCSA-N 1 0 222.336 1.586 10 0 BDAERO C[C@H]1CC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)O1 ZINC000124505875 177181013 /nfs/dbraw/zinc/18/10/13/177181013.db2.gz KCIRPJAVJFZLRU-QWRGUYRKSA-N 1 0 242.363 1.258 10 0 BDAERO C[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C)C[NH2+]1 ZINC000019487600 177196352 /nfs/dbraw/zinc/19/63/52/177196352.db2.gz JUQOSGNUVNMUCV-SRVKXCTJSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@H]1CC[C@H](C(=O)NC2CCOCC2)C[C@@H]1[NH3+] ZINC000055129815 177197567 /nfs/dbraw/zinc/19/75/67/177197567.db2.gz VGHFNMZELHRWMV-NHCYSSNCSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@H]1CC[C@H](OCC2CCOCC2)C[NH2+]1 ZINC000052173263 177206091 /nfs/dbraw/zinc/20/60/91/177206091.db2.gz SVZQIXMIAPDAEU-JQWIXIFHSA-N 1 0 213.321 1.570 10 0 BDAERO C[C@H]1CN(C(=O)c2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000022146574 177227334 /nfs/dbraw/zinc/22/73/34/177227334.db2.gz UFUDNROUJJANLP-QWRGUYRKSA-N 1 0 248.326 1.395 10 0 BDAERO C[C@H]1CN(C(=O)c2cccs2)C[C@@H]1[NH+](C)C ZINC000089710019 177228980 /nfs/dbraw/zinc/22/89/80/177228980.db2.gz LOJQWPACPNXKGF-UWVGGRQHSA-N 1 0 238.356 1.770 10 0 BDAERO C[C@H]1CN(CC2(C[NH3+])CCCC2)C[C@H](C)O1 ZINC000051209688 177244733 /nfs/dbraw/zinc/24/47/33/177244733.db2.gz GRTNXBMYPJZGEI-RYUDHWBXSA-N 1 0 226.364 1.615 10 0 BDAERO C[C@H]1CN(CCCOCC(F)(F)F)C[C@H]1[NH3+] ZINC000300048588 177248927 /nfs/dbraw/zinc/24/89/27/177248927.db2.gz LLXFFZCTDNISAI-DTWKUNHWSA-N 1 0 240.269 1.234 10 0 BDAERO C[C@@H]1CN(CC[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000026515225 177254231 /nfs/dbraw/zinc/25/42/31/177254231.db2.gz KQGUQLJEJBDBSF-FRRDWIJNSA-N 1 0 226.364 1.628 10 0 BDAERO C[C@H]1CN(C[C@](C)([NH3+])c2ccccc2)CCCO1 ZINC000061934612 177258957 /nfs/dbraw/zinc/25/89/57/177258957.db2.gz OZVYKRKNOXMUFZ-ZFWWWQNUSA-N 1 0 248.370 1.971 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc2c(c1)OCO2 ZINC000071563039 177263662 /nfs/dbraw/zinc/26/36/62/177263662.db2.gz ZGCKDNXNYMKRRM-WDEREUQCSA-N 1 0 248.326 1.598 10 0 BDAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NN ZINC000073654410 177264986 /nfs/dbraw/zinc/26/49/86/177264986.db2.gz SNIQLTUPSBHYQG-AAEUAGOBSA-N 1 0 219.332 1.360 10 0 BDAERO C[C@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000019258603 177273938 /nfs/dbraw/zinc/27/39/38/177273938.db2.gz XUIALNBFHZAJCT-GWCFXTLKSA-N 1 0 238.306 1.546 10 0 BDAERO C[C@@H](C[NH2+]C1CC1)N1C[C@H](C)OC(C)(C)C1 ZINC000052543384 177273997 /nfs/dbraw/zinc/27/39/97/177273997.db2.gz JUQBATUNVDHSDL-QWRGUYRKSA-N 1 0 226.364 1.626 10 0 BDAERO C[C@@H](C[NH2+]C(C)(C)C)N1CCCO[C@@H](C)C1 ZINC000061935572 177274038 /nfs/dbraw/zinc/27/40/38/177274038.db2.gz HUARWSGPFGRQCR-RYUDHWBXSA-N 1 0 228.380 1.874 10 0 BDAERO C[C@H]1CN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CCO1 ZINC000023067332 177275262 /nfs/dbraw/zinc/27/52/62/177275262.db2.gz MSGALTHNSBGMDU-GDLCADMTSA-N 1 0 232.327 1.332 10 0 BDAERO C[C@H]1CN([C@@H](C[NH3+])c2ccco2)CCCO1 ZINC000061913446 177275616 /nfs/dbraw/zinc/27/56/16/177275616.db2.gz QSSZMFNGNUYBPZ-QWRGUYRKSA-N 1 0 224.304 1.390 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccoc1 ZINC000113231966 177279710 /nfs/dbraw/zinc/27/97/10/177279710.db2.gz SLAPPDZKZHCVOY-CMPLNLGQSA-N 1 0 234.299 1.588 10 0 BDAERO C[C@H]1C[NH+]=C(NCc2cnn(C)c2)S1 ZINC000045136093 177281713 /nfs/dbraw/zinc/28/17/13/177281713.db2.gz RKBJCHLMOFYXOM-ZETCQYMHSA-N 1 0 210.306 1.001 10 0 BDAERO C[C@@H](c1ccccn1)N1CC[NH2+]C[C@H](C)C1 ZINC000049662173 177282784 /nfs/dbraw/zinc/28/27/84/177282784.db2.gz QIBUJFNHNLODDR-RYUDHWBXSA-N 1 0 219.332 1.684 10 0 BDAERO C[C@@H](c1nccs1)N1CC[NH2+]C[C@@H]1C ZINC000083087703 177284978 /nfs/dbraw/zinc/28/49/78/177284978.db2.gz ONHBGHVSIPOVLY-IUCAKERBSA-N 1 0 211.334 1.498 10 0 BDAERO C[C@H]1C[NH2+]C[C@@H]1CNC(=O)OC(C)(C)C ZINC000039093815 177286067 /nfs/dbraw/zinc/28/60/67/177286067.db2.gz CEFJWUXTHLISAP-DTWKUNHWSA-N 1 0 214.309 1.367 10 0 BDAERO C[C@H]1C[NH2+]C[C@H](C)N1CCc1ccccc1 ZINC000019801278 177286356 /nfs/dbraw/zinc/28/63/56/177286356.db2.gz FMRHKBAPVJKMEQ-STQMWFEESA-N 1 0 218.344 1.911 10 0 BDAERO C[C@H]1COCC[N@@H+]1[C@H]1CNc2ccccc2C1 ZINC000037761129 177293430 /nfs/dbraw/zinc/29/34/30/177293430.db2.gz BVUMYJDRVSXKRZ-WCQYABFASA-N 1 0 232.327 1.744 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000052296053 177347962 /nfs/dbraw/zinc/34/79/62/177347962.db2.gz NHSIEBOJBOFMSE-KWQFWETISA-N 1 0 219.288 1.675 10 0 BDAERO C[C@H]1C[C@@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054444111 177348696 /nfs/dbraw/zinc/34/86/96/177348696.db2.gz LTDYEFYRICRVTP-JQWIXIFHSA-N 1 0 247.342 1.551 10 0 BDAERO C[C@H]1C[C@@H]1[NH2+]CC(=O)Nc1ccccc1F ZINC000052287673 177349729 /nfs/dbraw/zinc/34/97/29/177349729.db2.gz SHDAXUIYERBSNT-KWQFWETISA-N 1 0 222.263 1.762 10 0 BDAERO C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)CCN1C ZINC000309145449 177368256 /nfs/dbraw/zinc/36/82/56/177368256.db2.gz VCFSNICJBHDXQK-DTWKUNHWSA-N 1 0 218.291 1.856 10 0 BDAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000052287890 177385764 /nfs/dbraw/zinc/38/57/64/177385764.db2.gz RHZZHHVJSKAZHJ-WRWORJQWSA-N 1 0 222.263 1.423 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC000336757253 177393333 /nfs/dbraw/zinc/39/33/33/177393333.db2.gz JYJHDSPULMRBRA-RQJHMYQMSA-N 1 0 224.226 1.196 10 0 BDAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000335144933 177394365 /nfs/dbraw/zinc/39/43/65/177394365.db2.gz SCSQZUDSXXRFOD-VXNVDRBHSA-N 1 0 242.706 1.690 10 0 BDAERO C[C@](C[NH3+])(CO)c1ccc(F)c(Cl)c1 ZINC000083264388 177441926 /nfs/dbraw/zinc/44/19/26/177441926.db2.gz QHYTVOMEGNCSSB-JTQLQIEISA-N 1 0 217.671 1.688 10 0 BDAERO C[C@](O)(C[NH3+])CCOc1ccccc1F ZINC000019668182 177448934 /nfs/dbraw/zinc/44/89/34/177448934.db2.gz DSANBTNGVHBIFQ-LLVKDONJSA-N 1 0 213.252 1.304 10 0 BDAERO Cc1c(C)n(C[C@@H](O)C[NH3+])c2ccccc12 ZINC000034925829 177576782 /nfs/dbraw/zinc/57/67/82/177576782.db2.gz IJEDUAXLZTYKMN-NSHDSACASA-N 1 0 218.300 1.578 10 0 BDAERO Cc1c(CNC[C@@H](C)C[NH+](C)C)cnn1C ZINC000291799952 177591768 /nfs/dbraw/zinc/59/17/68/177591768.db2.gz XDBOCNTWAIRDBN-SNVBAGLBSA-N 1 0 224.352 1.016 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCc2ccccc2CC1 ZINC000079572509 487642489 /nfs/dbraw/zinc/64/24/89/487642489.db2.gz SSWCDDLZFOYLGO-AWEZNQCLSA-N 1 0 246.354 1.741 10 0 BDAERO CO[C@H](C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)C1CC1 ZINC000400107019 226332553 /nfs/dbraw/zinc/33/25/53/226332553.db2.gz DCFYLIGIRZGTBE-REWJHTLYSA-N 1 0 239.359 1.504 10 0 BDAERO COC(=O)[C@@H]1CCCC[N@H+]1C[C@H](OC)C1CC1 ZINC000400244077 226338065 /nfs/dbraw/zinc/33/80/65/226338065.db2.gz LECOHYUNDWOTTK-RYUDHWBXSA-N 1 0 241.331 1.439 10 0 BDAERO COC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000401019697 226352640 /nfs/dbraw/zinc/35/26/40/226352640.db2.gz KGUUHOXDLYCAIM-NWDGAFQWSA-N 1 0 241.331 1.298 10 0 BDAERO OCCC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000383672643 487660118 /nfs/dbraw/zinc/66/01/18/487660118.db2.gz MGRBQYSLGBPHNS-KGLIPLIRSA-N 1 0 241.375 1.632 10 0 BDAERO CC1(C)C[N@H+](C[C@@H]2CCC[C@H](O)C2)CC[C@H]1O ZINC000383670568 487660608 /nfs/dbraw/zinc/66/06/08/487660608.db2.gz LOUSHHHFJAUVPJ-FRRDWIJNSA-N 1 0 241.375 1.630 10 0 BDAERO CCS(=O)(=O)c1ccc(NC[C@@H](C)[NH3+])cc1 ZINC000082575523 487678223 /nfs/dbraw/zinc/67/82/23/487678223.db2.gz XNKFXZQFSFHVGH-SECBINFHSA-N 1 0 242.344 1.239 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000054075004 487682480 /nfs/dbraw/zinc/68/24/80/487682480.db2.gz HSKTXUSKBLADHN-RKDXNWHRSA-N 1 0 200.326 1.487 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1ccc(F)c(F)c1 ZINC000054076660 487683340 /nfs/dbraw/zinc/68/33/40/487683340.db2.gz IFGLIQZMCOADTF-SSDOTTSWSA-N 1 0 228.242 1.189 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCC(C)(C)c1ccccc1 ZINC000054075626 487683655 /nfs/dbraw/zinc/68/36/55/487683655.db2.gz FWMQWVBBTYCCMK-LLVKDONJSA-N 1 0 234.343 1.688 10 0 BDAERO CC[C@@H](NC(=O)[C@@H](C)[NH2+]C)c1ccccc1 ZINC000054076942 487684380 /nfs/dbraw/zinc/68/43/80/487684380.db2.gz BNMXULVNWORCMB-ZYHUDNBSSA-N 1 0 220.316 1.862 10 0 BDAERO Cc1cc(N[C@H](C[NH3+])CC(C)C)nc(C)n1 ZINC000082592998 487686239 /nfs/dbraw/zinc/68/62/39/487686239.db2.gz QYOSCTKRXVIHHR-NSHDSACASA-N 1 0 222.336 1.879 10 0 BDAERO CC(C)[C@H]([NH3+])Cc1nc(C2CCOCC2)no1 ZINC000087812775 487691844 /nfs/dbraw/zinc/69/18/44/487691844.db2.gz AVPNFGFJOSBHFG-SNVBAGLBSA-N 1 0 239.319 1.489 10 0 BDAERO CC(C)[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[C@H](C)[NH3+] ZINC000399527644 262838111 /nfs/dbraw/zinc/83/81/11/262838111.db2.gz SSVPEESJYFGBQU-WISYIIOYSA-N 1 0 242.363 1.242 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCCOC1CCCCC1 ZINC000082627834 487699872 /nfs/dbraw/zinc/69/98/72/487699872.db2.gz RSLWVSZQOJUMET-SNVBAGLBSA-N 1 0 228.336 1.060 10 0 BDAERO C[NH2+]CCOCCN(C)c1ccc(Cl)cn1 ZINC000630531219 487700842 /nfs/dbraw/zinc/70/08/42/487700842.db2.gz SXWGRVKEKZWFAK-UHFFFAOYSA-N 1 0 243.738 1.407 10 0 BDAERO C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306133 487713728 /nfs/dbraw/zinc/71/37/28/487713728.db2.gz RDWWTHUACHDGHF-QWRGUYRKSA-N 1 0 224.348 1.633 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCc1ccc(F)cc1 ZINC000136301997 487723333 /nfs/dbraw/zinc/72/33/33/487723333.db2.gz ANFDTSDOBOWOJB-GFCCVEGCSA-N 1 0 238.306 1.815 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCc2ccccc21 ZINC000136302495 487723508 /nfs/dbraw/zinc/72/35/08/487723508.db2.gz YOBRKCHAGWGZEU-LBPRGKRZSA-N 1 0 232.327 1.949 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(C(N)=O)c1 ZINC000136435040 487736301 /nfs/dbraw/zinc/73/63/01/487736301.db2.gz KFTTYRQASQTRAP-NSHDSACASA-N 1 0 249.314 1.097 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000136443925 487735930 /nfs/dbraw/zinc/73/59/30/487735930.db2.gz XRPSMTPESJVCAV-GRYCIOLGSA-N 1 0 240.347 1.140 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC[C@H]1CCCO1 ZINC000250654003 487738028 /nfs/dbraw/zinc/73/80/28/487738028.db2.gz NIDUXHVOQVFJQV-TUAOUCFPSA-N 1 0 240.347 1.047 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1c1nc([C@H]2CCCO2)no1 ZINC000250677205 487739017 /nfs/dbraw/zinc/73/90/17/487739017.db2.gz WWWIULZWQKCSQT-IVZWLZJFSA-N 1 0 237.303 1.764 10 0 BDAERO CC1(C)CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[NH2+]1 ZINC000250780608 487740171 /nfs/dbraw/zinc/74/01/71/487740171.db2.gz COQTZMVFVSIWHA-JGPRNRPPSA-N 1 0 222.332 1.243 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000251315829 487753567 /nfs/dbraw/zinc/75/35/67/487753567.db2.gz LFKFOVDUMGCVBJ-GMTAPVOTSA-N 1 0 228.336 1.044 10 0 BDAERO Cc1noc2ncnc(N[C@H]3CCC[C@H]3C[NH3+])c12 ZINC000089106192 487761043 /nfs/dbraw/zinc/76/10/43/487761043.db2.gz OSEAXNDFEWGTFA-IUCAKERBSA-N 1 0 247.302 1.466 10 0 BDAERO CC[C@H]([NH2+]C[C@@H](O)Cn1cccn1)C(C)C ZINC000042588112 487761892 /nfs/dbraw/zinc/76/18/92/487761892.db2.gz ZYJXVYRAKBZVTE-NEPJUHHUSA-N 1 0 225.336 1.268 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000251770001 487796884 /nfs/dbraw/zinc/79/68/84/487796884.db2.gz MJNVPTVXDYRQSW-LBELIVKGSA-N 1 0 236.359 1.618 10 0 BDAERO CN1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000309242019 487805857 /nfs/dbraw/zinc/80/58/57/487805857.db2.gz AXVCAXVJFKVCKH-QWHCGFSZSA-N 1 0 226.364 1.175 10 0 BDAERO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000385869748 487811364 /nfs/dbraw/zinc/81/13/64/487811364.db2.gz IZUMJKDOPRSTAW-IGQOVBAYSA-N 1 0 241.375 1.630 10 0 BDAERO CCN1CC[C@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000666466521 487815770 /nfs/dbraw/zinc/81/57/70/487815770.db2.gz TUHGHSAQWUDFBS-NSHDSACASA-N 1 0 244.342 1.747 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000089449621 487816213 /nfs/dbraw/zinc/81/62/13/487816213.db2.gz BJFLUSUUIINFOA-OLZOCXBDSA-N 1 0 244.338 1.951 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000089449618 487816270 /nfs/dbraw/zinc/81/62/70/487816270.db2.gz BJFLUSUUIINFOA-CHWSQXEVSA-N 1 0 244.338 1.951 10 0 BDAERO COC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000089482219 487825884 /nfs/dbraw/zinc/82/58/84/487825884.db2.gz ADFCKPNDCGTPHJ-UTUOFQBUSA-N 1 0 242.363 1.149 10 0 BDAERO COC[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000089482223 487826013 /nfs/dbraw/zinc/82/60/13/487826013.db2.gz ADFCKPNDCGTPHJ-WOPDTQHZSA-N 1 0 242.363 1.149 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(F)cc1 ZINC000676234523 487826163 /nfs/dbraw/zinc/82/61/63/487826163.db2.gz BONBDVWUCMIUFZ-NWDGAFQWSA-N 1 0 236.290 1.755 10 0 BDAERO CCCCNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309285118 487827580 /nfs/dbraw/zinc/82/75/80/487827580.db2.gz GKOUYQWLCFYIHE-AXFHLTTASA-N 1 0 225.336 1.165 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000253205467 487857761 /nfs/dbraw/zinc/85/77/61/487857761.db2.gz WJLYDGQBSMLXOQ-SVNGYHJRSA-N 1 0 222.332 1.289 10 0 BDAERO CCOC(=O)c1cccnc1N[C@@H](C)C[NH3+] ZINC000082576257 322959866 /nfs/dbraw/zinc/95/98/66/322959866.db2.gz QEFIAKGTXSKWFR-QMMMGPOBSA-N 1 0 223.276 1.017 10 0 BDAERO COCCC1(CNC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000234760347 487872513 /nfs/dbraw/zinc/87/25/13/487872513.db2.gz KWMMGSRMPKVSKT-LLVKDONJSA-N 1 0 242.363 1.293 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NCc1nccs1 ZINC000128996468 487874630 /nfs/dbraw/zinc/87/46/30/487874630.db2.gz KXTPYMXNQRUKQG-MRVPVSSYSA-N 1 0 227.333 1.133 10 0 BDAERO C[C@H]([NH3+])CNc1ncc(Cl)cc1F ZINC000086711253 487879518 /nfs/dbraw/zinc/87/95/18/487879518.db2.gz RDCLUZDHPVGTTC-YFKPBYRVSA-N 1 0 203.648 1.633 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1ccsc1 ZINC000306444822 643324923 /nfs/dbraw/zinc/32/49/23/643324923.db2.gz PPQHHZPLCAXOPJ-UWVGGRQHSA-N 1 0 214.309 1.619 10 0 BDAERO Cc1cnc([C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)o1 ZINC000226708633 487886584 /nfs/dbraw/zinc/88/65/84/487886584.db2.gz XNAYSUNGMHELJV-SKDRFNHKSA-N 1 0 237.303 1.302 10 0 BDAERO O=C1C[C@H]([NH2+][C@H]2CCc3ccccc32)CCCN1 ZINC000111825737 487891995 /nfs/dbraw/zinc/89/19/95/487891995.db2.gz DRDQYBVSMMQRNE-OCCSQVGLSA-N 1 0 244.338 1.932 10 0 BDAERO CN1CCO[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000229260705 487899808 /nfs/dbraw/zinc/89/98/08/487899808.db2.gz ARHLEWSPGRJFIV-GFCCVEGCSA-N 1 0 244.404 1.050 10 0 BDAERO CCC[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000668540716 487909202 /nfs/dbraw/zinc/90/92/02/487909202.db2.gz CHVLZUYSDNFGLA-GARJFASQSA-N 1 0 227.352 1.602 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000668541698 487911251 /nfs/dbraw/zinc/91/12/51/487911251.db2.gz UWJLXZHIGGVGHM-FIQHERPVSA-N 1 0 239.363 1.554 10 0 BDAERO CCC[C@H](C)NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000668541699 487912367 /nfs/dbraw/zinc/91/23/67/487912367.db2.gz UWJLXZHIGGVGHM-NNYUYHANSA-N 1 0 239.363 1.554 10 0 BDAERO CCC[C@H](C)NC(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000668541917 487913811 /nfs/dbraw/zinc/91/38/11/487913811.db2.gz WWAJMBXLOMEGQS-WDEREUQCSA-N 1 0 227.352 1.426 10 0 BDAERO C[C@H](CN1CCO[C@@H]2C[NH2+]C[C@@H]21)C(C)(C)C ZINC000667068588 487936622 /nfs/dbraw/zinc/93/66/22/487936622.db2.gz DASHKNRWDOLSSK-GRYCIOLGSA-N 1 0 226.364 1.341 10 0 BDAERO CCC[C@H](C(=O)N1CCC(C)(O)CC1)[NH+](C)C ZINC000179630711 322819522 /nfs/dbraw/zinc/81/95/22/322819522.db2.gz DPDXTRDRLMVZFT-LLVKDONJSA-N 1 0 242.363 1.090 10 0 BDAERO CC1CC(C(=O)N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000562522223 323022922 /nfs/dbraw/zinc/02/29/22/323022922.db2.gz VGVKCGZLBWTPFC-UDNWOFFPSA-N 1 0 210.321 1.289 10 0 BDAERO CCC(C)(C)C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000403970444 323092058 /nfs/dbraw/zinc/09/20/58/323092058.db2.gz BFGKJASAUFQGMR-MNOVXSKESA-N 1 0 240.347 1.012 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnccn1 ZINC000571500809 323146087 /nfs/dbraw/zinc/14/60/87/323146087.db2.gz UTQXLQCDBSKIND-WCQYABFASA-N 1 0 232.331 1.145 10 0 BDAERO OC1CC(C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000306002866 323171964 /nfs/dbraw/zinc/17/19/64/323171964.db2.gz LDMSSTBJWHNZBO-WXRRBKDZSA-N 1 0 239.359 1.696 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CCOCC(F)F ZINC000308776314 323177818 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CCn1nc(C)cc1Cn1cc[nH+]c1N ZINC000702450383 582926421 /nfs/dbraw/zinc/92/64/21/582926421.db2.gz OLMJFQZIYASADN-UHFFFAOYSA-N 1 0 205.265 1.038 10 0 BDAERO CN1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000167994698 536345632 /nfs/dbraw/zinc/34/56/32/536345632.db2.gz HXKMPLSNZGRFNO-YPMHNXCESA-N 1 0 226.364 1.221 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCCc2cccc(C)c21 ZINC000103646055 536388507 /nfs/dbraw/zinc/38/85/07/536388507.db2.gz DREOYWDUOQLCTD-LLVKDONJSA-N 1 0 232.327 1.882 10 0 BDAERO CN1CCC[C@@H]1C[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000252580485 536415606 /nfs/dbraw/zinc/41/56/06/536415606.db2.gz QHGZKZGZCUFJBG-VXGBXAGGSA-N 1 0 228.380 1.419 10 0 BDAERO C[NH2+]Cc1ccc(N2C[C@H](C)OC[C@H]2C)nc1 ZINC000051444389 536469826 /nfs/dbraw/zinc/46/98/26/536469826.db2.gz FMFADUABMLAGJX-MNOVXSKESA-N 1 0 235.331 1.415 10 0 BDAERO COC1(C[N@@H+]2CC[C@@](C)(F)C2)CCC1 ZINC000336199275 536628510 /nfs/dbraw/zinc/62/85/10/536628510.db2.gz WVFXGTQHASHMLI-SNVBAGLBSA-N 1 0 201.285 1.989 10 0 BDAERO COC1(C[N@@H+]2CCO[C@H](C)[C@@H]2C)CCC1 ZINC000336196157 536630434 /nfs/dbraw/zinc/63/04/34/536630434.db2.gz WIDZOSNEUADZMO-WDEREUQCSA-N 1 0 213.321 1.665 10 0 BDAERO CC[N@@H+]1CCC[C@@H]([C@@H](O)c2ccnn2C)C1 ZINC000521402255 538101615 /nfs/dbraw/zinc/10/16/15/538101615.db2.gz ZBCZQQRNLQOFLA-ZYHUDNBSSA-N 1 0 223.320 1.185 10 0 BDAERO Cc1cnc([C@@H](O)C(C)(C)C[NH3+])s1 ZINC000307309136 566278602 /nfs/dbraw/zinc/27/86/02/566278602.db2.gz FFQHSHKCNPVLKO-SSDOTTSWSA-N 1 0 200.307 1.470 10 0 BDAERO FC(F)(F)c1cc(NC2C[NH2+]C2)ccn1 ZINC000335557012 566337073 /nfs/dbraw/zinc/33/70/73/566337073.db2.gz JTQFVSHKBMHJBJ-UHFFFAOYSA-N 1 0 217.194 1.484 10 0 BDAERO CC[C@@H](C[NH3+])[C@@](C)(O)COCc1ccccc1 ZINC000669377274 566423917 /nfs/dbraw/zinc/42/39/17/566423917.db2.gz LMSNDYADGZBCOA-KBPBESRZSA-N 1 0 237.343 1.939 10 0 BDAERO CC[C@H](C[NH3+])[C@@](C)(O)COCc1ccccc1 ZINC000669377275 566423928 /nfs/dbraw/zinc/42/39/28/566423928.db2.gz LMSNDYADGZBCOA-KGLIPLIRSA-N 1 0 237.343 1.939 10 0 BDAERO CC(=O)NC[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000669380690 566425535 /nfs/dbraw/zinc/42/55/35/566425535.db2.gz SYYPTHXFBODNRN-UTUOFQBUSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCOC(C)(C)C1 ZINC000685951949 566487110 /nfs/dbraw/zinc/48/71/10/566487110.db2.gz ZXFLTHNXQNLCFK-GHMZBOCLSA-N 1 0 226.364 1.341 10 0 BDAERO CC(=O)C[C@H]1c2ccccc2[NH+]=C2[C@@H](O)CCN21 ZINC000014638347 560223493 /nfs/dbraw/zinc/22/34/93/560223493.db2.gz XCVYWXLCLJENRL-STQMWFEESA-N 1 0 244.294 1.817 10 0 biogenic,in-vitro BDAERO N[C@@H]1C[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000396908636 583093435 /nfs/dbraw/zinc/09/34/35/583093435.db2.gz HSDUYCABSJKPPH-NXEZZACHSA-N 1 0 230.233 1.720 10 0 BDAERO C[C@@H](C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)C(C)(C)C ZINC000399159924 583171825 /nfs/dbraw/zinc/17/18/25/583171825.db2.gz IPBPNGJSSLVMDG-VHSXEESVSA-N 1 0 226.364 1.864 10 0 BDAERO Cc1ccccc1C[NH2+][C@@H](C(N)=O)C(C)C ZINC000107323029 582459591 /nfs/dbraw/zinc/45/95/91/582459591.db2.gz LAVMVYMWWZBZNC-GFCCVEGCSA-N 1 0 220.316 1.595 10 0 BDAERO Cc1ccccc1C[NH2+][C@H](C(N)=O)C(C)C ZINC000107323027 582460063 /nfs/dbraw/zinc/46/00/63/582460063.db2.gz LAVMVYMWWZBZNC-LBPRGKRZSA-N 1 0 220.316 1.595 10 0 BDAERO CC[C@@H](C)C(=O)c1nc(CC[NH3+])cs1 ZINC000757124919 582499952 /nfs/dbraw/zinc/49/99/52/582499952.db2.gz RGWYODMQEDOWIJ-SSDOTTSWSA-N 1 0 212.318 1.873 10 0 BDAERO C[C@H]1CC[C@]2(CCCN2CCCF)C[NH2+]1 ZINC000757125381 582500079 /nfs/dbraw/zinc/50/00/79/582500079.db2.gz DJZNJGVPDDQOAZ-NWDGAFQWSA-N 1 0 214.328 1.953 10 0 BDAERO CC[C@H](C)[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757131698 582505571 /nfs/dbraw/zinc/50/55/71/582505571.db2.gz SKRGHSFQOYLURC-IONNQARKSA-N 1 0 214.334 1.724 10 0 BDAERO CC[C@@H](C)[C@@H](O)c1nc(CC[NH3+])cs1 ZINC000757131705 582506271 /nfs/dbraw/zinc/50/62/71/582506271.db2.gz SKRGHSFQOYLURC-VXNVDRBHSA-N 1 0 214.334 1.724 10 0 BDAERO COC[C@H](C)[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757133835 582510704 /nfs/dbraw/zinc/51/07/04/582510704.db2.gz VDOZXUMQBILGKM-JSGCOSHPSA-N 1 0 238.375 1.582 10 0 BDAERO COCCN1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757135078 582513888 /nfs/dbraw/zinc/51/38/88/582513888.db2.gz YHBSAJRLOCZWMT-RYUDHWBXSA-N 1 0 212.337 1.097 10 0 BDAERO C[C@@H]1CC[NH2+]C2(CC(CF)(CF)C2)O1 ZINC000757138302 582517291 /nfs/dbraw/zinc/51/72/91/582517291.db2.gz BJZJOYMJXFZUDE-MRVPVSSYSA-N 1 0 205.248 1.800 10 0 BDAERO CC(C)[C@H]1O[C@@]2(CCOC2)[NH2+]CC12CC2 ZINC000757139326 582519199 /nfs/dbraw/zinc/51/91/99/582519199.db2.gz GSTOHYLYSIJLCO-ZYHUDNBSSA-N 1 0 211.305 1.528 10 0 BDAERO CCC1(CC)CC[NH2+][C@@]2(CN3CCC2CC3)O1 ZINC000757144312 582525454 /nfs/dbraw/zinc/52/54/54/582525454.db2.gz NRISXIRZCXECRK-AWEZNQCLSA-N 1 0 238.375 1.977 10 0 BDAERO CC(C)[C@H]1[NH2+]C2(CNC2)OCC12CCC2 ZINC000757145233 582526983 /nfs/dbraw/zinc/52/69/83/582526983.db2.gz OLHFLFRGDQPSGS-SNVBAGLBSA-N 1 0 210.321 1.101 10 0 BDAERO [NH3+]C[C@H]1CCN1c1noc2ccccc21 ZINC000757145220 582527051 /nfs/dbraw/zinc/52/70/51/582527051.db2.gz KZAYALZLLFHING-MRVPVSSYSA-N 1 0 203.245 1.365 10 0 BDAERO CCC1(CC)CN[C@]2(CCC[NH2+]C2)OC1 ZINC000757145112 582528057 /nfs/dbraw/zinc/52/80/57/582528057.db2.gz HUBLIHICEIKEHI-GFCCVEGCSA-N 1 0 212.337 1.492 10 0 BDAERO CC(C)[C@H]1O[C@]2(CC[NH2+]C2)NCC1(C)C ZINC000757146775 582530582 /nfs/dbraw/zinc/53/05/82/582530582.db2.gz LIPUPDLOBNFQBB-PWSUYJOCSA-N 1 0 212.337 1.347 10 0 BDAERO CC[C@H]1[NH2+]CC(C)(C)[C@]2(CCCOC2)O1 ZINC000757146936 582530635 /nfs/dbraw/zinc/53/06/35/582530635.db2.gz RNGOKFABKHRAIG-CMPLNLGQSA-N 1 0 213.321 1.918 10 0 BDAERO CC(C)[C@H]1[NH2+][C@@]2(CCN(C)C2)OCC1(C)C ZINC000757148087 582531829 /nfs/dbraw/zinc/53/18/29/582531829.db2.gz MNQAJHYFMQBHCV-YPMHNXCESA-N 1 0 226.364 1.689 10 0 BDAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]CC1(COC1)CO2 ZINC000757150069 582533675 /nfs/dbraw/zinc/53/36/75/582533675.db2.gz XHVYBVRFKMUYHE-PJXYFTJBSA-N 1 0 225.332 1.775 10 0 BDAERO CC(C)(C)[C@H]([NH3+])CS(=O)(=O)N1CCCCC1 ZINC000757150667 582535061 /nfs/dbraw/zinc/53/50/61/582535061.db2.gz HIEXDQMZONRHRD-SNVBAGLBSA-N 1 0 248.392 1.176 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1nc2ccccc2s1 ZINC000757151439 582536289 /nfs/dbraw/zinc/53/62/89/582536289.db2.gz PXRKNIOQWALNHA-QMMMGPOBSA-N 1 0 219.313 1.834 10 0 BDAERO C[C@H]1CC(C)(C)O[C@@]2(CN3CCC2CC3)[NH2+]1 ZINC000757152555 582536808 /nfs/dbraw/zinc/53/68/08/582536808.db2.gz SWJFIYNGZYDLEV-GXFFZTMASA-N 1 0 224.348 1.585 10 0 BDAERO Cc1cc(C[C@H]2C[NH2+]C[C@@H]2O)ccc1Cl ZINC000757153758 582538664 /nfs/dbraw/zinc/53/86/64/582538664.db2.gz RNIKJSYTTDNCLJ-JQWIXIFHSA-N 1 0 225.719 1.771 10 0 BDAERO Cc1ccoc1CSCC[C@@H]([NH3+])CO ZINC000757166424 582547770 /nfs/dbraw/zinc/54/77/70/582547770.db2.gz SWWJTLYZRFDKNA-SECBINFHSA-N 1 0 215.318 1.531 10 0 BDAERO CCc1ccc(CSC[C@@H]([NH3+])CCO)o1 ZINC000757166106 582548257 /nfs/dbraw/zinc/54/82/57/582548257.db2.gz ONXZOPFSIQWKPQ-VIFPVBQESA-N 1 0 229.345 1.785 10 0 BDAERO CCc1ccc(CS[C@H](C)[C@@H](O)C[NH3+])o1 ZINC000757168755 582549888 /nfs/dbraw/zinc/54/98/88/582549888.db2.gz CXGOCYRUYBMWCC-KCJUWKMLSA-N 1 0 229.345 1.783 10 0 BDAERO Cc1ccc(F)c2c1NC(=O)C[C@@H]2C[NH3+] ZINC000757175469 582552476 /nfs/dbraw/zinc/55/24/76/582552476.db2.gz HYCVDPLBXAKVNT-SSDOTTSWSA-N 1 0 208.236 1.519 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1c[nH]cn1 ZINC000757189445 582555947 /nfs/dbraw/zinc/55/59/47/582555947.db2.gz NOOKYKBOGJVRLT-RKDXNWHRSA-N 1 0 237.303 1.054 10 0 BDAERO Cc1cncc(SC[C@@H]2C[NH2+]CCO2)c1 ZINC000757209805 582560235 /nfs/dbraw/zinc/56/02/35/582560235.db2.gz GNCADABDNMIRJE-JTQLQIEISA-N 1 0 224.329 1.471 10 0 BDAERO CC(=O)c1ccc([C@@H]2C[NH2+]C[C@@H](N)C2)cc1 ZINC000757218670 582563446 /nfs/dbraw/zinc/56/34/46/582563446.db2.gz WQBXLJYRTOKOBA-STQMWFEESA-N 1 0 218.300 1.293 10 0 BDAERO C[C@@H]1CCn2nc(C3CC[NH2+]CC3)cc2N1 ZINC000235397835 582576885 /nfs/dbraw/zinc/57/68/85/582576885.db2.gz HCOUOKAOMIZHII-SECBINFHSA-N 1 0 220.320 1.554 10 0 BDAERO Cc1cn2c([nH+]1)N[C@@H]([C@@H]1CCOC1)CC2 ZINC000236044507 582636829 /nfs/dbraw/zinc/63/68/29/582636829.db2.gz YVVDXEXZHSBZBE-NXEZZACHSA-N 1 0 207.277 1.412 10 0 BDAERO Cc1cn2c([nH+]1)NCC[C@@H]2c1ccccn1 ZINC000236045853 582637642 /nfs/dbraw/zinc/63/76/42/582637642.db2.gz AIZIOSGAGRRVSZ-LLVKDONJSA-N 1 0 214.272 1.992 10 0 BDAERO [NH3+][C@H](Cc1ccc(F)cc1)c1ncccn1 ZINC000037467210 582675107 /nfs/dbraw/zinc/67/51/07/582675107.db2.gz QJGDECPPNTWTMU-LLVKDONJSA-N 1 0 217.247 1.858 10 0 BDAERO Cc1nn(C)c(Cl)c1Cn1cc[nH+]c1N ZINC000702517209 582927152 /nfs/dbraw/zinc/92/71/52/582927152.db2.gz JBZFYRAPGLZMMN-UHFFFAOYSA-N 1 0 225.683 1.209 10 0 BDAERO CCc1cnc([C@H](O)[C@H](C)C[NH3+])s1 ZINC000394939145 583026964 /nfs/dbraw/zinc/02/69/64/583026964.db2.gz WHVYVXWVPSNPHG-HTRCEHHLSA-N 1 0 200.307 1.334 10 0 BDAERO CC(C)(C)NC(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227618440 583110036 /nfs/dbraw/zinc/11/00/36/583110036.db2.gz QXJYNJVXRSAFSW-RKDXNWHRSA-N 1 0 213.325 1.212 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H](C)CCC2CC2)C1 ZINC000398182071 583123878 /nfs/dbraw/zinc/12/38/78/583123878.db2.gz SYPDOWGSLIHRHY-GXTWGEPZSA-N 1 0 240.391 1.875 10 0 BDAERO CC1(C)CCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000398971782 583168770 /nfs/dbraw/zinc/16/87/70/583168770.db2.gz WQXZYRTXBCITKC-CYBMUJFWSA-N 1 0 240.391 1.611 10 0 BDAERO C[C@H](C(=O)N1CC[C@@H](CC[NH3+])C1)C(C)(C)C ZINC000399012463 583169146 /nfs/dbraw/zinc/16/91/46/583169146.db2.gz AJZFDVNUUROMSB-GHMZBOCLSA-N 1 0 226.364 1.866 10 0 BDAERO [NH3+]CC[C@@H](O)c1ccncc1Br ZINC000216547436 583169775 /nfs/dbraw/zinc/16/97/75/583169775.db2.gz RCCFIPWPKCZDHU-MRVPVSSYSA-N 1 0 231.093 1.226 10 0 BDAERO CC[C@@H]1CCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000399262399 583172596 /nfs/dbraw/zinc/17/25/96/583172596.db2.gz QKRXYFAJZXSPFR-TZMCWYRMSA-N 1 0 240.391 1.611 10 0 BDAERO O=C1NCCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000020050770 583612344 /nfs/dbraw/zinc/61/23/44/583612344.db2.gz WMEXLWRYSBUCOZ-ZDUSSCGKSA-N 1 0 232.327 1.487 10 0 BDAERO CC(C)(C)[C@@H]1CCO[C@@]2(CCC[NH2+]C2)N1 ZINC000757138951 586427364 /nfs/dbraw/zinc/42/73/64/586427364.db2.gz AEVAMCDCKKJHKY-CMPLNLGQSA-N 1 0 212.337 1.491 10 0 BDAERO CCC[C@@H]1CC[NH2+][C@]2(CN3CCC2CC3)O1 ZINC000757152851 586429523 /nfs/dbraw/zinc/42/95/23/586429523.db2.gz UGUJXTWYWCXLPW-CHWSQXEVSA-N 1 0 224.348 1.587 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]CC12CC(CF)(CF)C2 ZINC000757185299 586433852 /nfs/dbraw/zinc/43/38/52/586433852.db2.gz QVKKDHHBZPDZPB-VIFPVBQESA-N 1 0 247.285 1.475 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ncc[nH]1 ZINC000757185834 586434063 /nfs/dbraw/zinc/43/40/63/586434063.db2.gz AXYWUFIVKNNREK-DTWKUNHWSA-N 1 0 237.303 1.054 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1cc[nH]n1 ZINC000757192475 586435884 /nfs/dbraw/zinc/43/58/84/586435884.db2.gz YVJRHQXUTINMNW-RKDXNWHRSA-N 1 0 237.303 1.054 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2CC[C@@H](C(=O)[O-])C[NH2+]2)c1 ZINC000757206881 586437249 /nfs/dbraw/zinc/43/72/49/586437249.db2.gz AQIWITONUNKAOE-NEPJUHHUSA-N 1 0 234.299 1.271 10 0 BDAERO [NH3+]C[C@@H]1C[NH2+]C[C@@H](c2cccc3cc[nH]c32)C1 ZINC000757206998 586437258 /nfs/dbraw/zinc/43/72/58/586437258.db2.gz ATZIDYFCPBGXAZ-PWSUYJOCSA-N 1 0 229.327 1.820 10 0 BDAERO CC(=O)c1ccc([C@H]2NCCC[C@@H]2[NH3+])cc1 ZINC000757211016 586437415 /nfs/dbraw/zinc/43/74/15/586437415.db2.gz FFSUSPLQSQMTOG-QWHCGFSZSA-N 1 0 218.300 1.641 10 0 BDAERO [NH3+]C[C@H]1CC[NH2+][C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757208677 586437718 /nfs/dbraw/zinc/43/77/18/586437718.db2.gz AOXUCPOYMVEGAI-JOYOIKCWSA-N 1 0 234.299 1.384 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN[C@@H]1c1cccc(N)c1 ZINC000757208647 586437934 /nfs/dbraw/zinc/43/79/34/586437934.db2.gz AKIQZIONGWSEJP-ZHAHWJHGSA-N 1 0 205.305 1.267 10 0 BDAERO NC[C@@H]1CC[C@@H](c2ccc(C=O)s2)C[NH2+]1 ZINC000757211644 586438929 /nfs/dbraw/zinc/43/89/29/586438929.db2.gz HZLOBHZNLCJRHN-BDAKNGLRSA-N 1 0 224.329 1.355 10 0 BDAERO NC[C@H]1CC[C@@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757212638 586439422 /nfs/dbraw/zinc/43/94/22/586439422.db2.gz JOEYGJKCFQYAMG-VXGBXAGGSA-N 1 0 229.327 1.962 10 0 BDAERO CCOC(=O)[C@@H]1CC[C@H](CC(C)C)[NH2+]C1 ZINC000757215296 586440823 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ZINC000757239497 586444457 /nfs/dbraw/zinc/44/44/57/586444457.db2.gz UKMJQEHCVUGBCN-JQWIXIFHSA-N 1 0 219.332 1.372 10 0 BDAERO CC[C@H]1CN(C/C=C/Cl)CC[N@@H+]1CCOC ZINC000105914716 588229543 /nfs/dbraw/zinc/22/95/43/588229543.db2.gz FCTZDJYADXHCKD-ITKZLYELSA-N 1 0 246.782 1.782 10 0 BDAERO CCOC(=O)C=C1CC[NH+](C2CC2)CC1 ZINC000107245428 588344627 /nfs/dbraw/zinc/34/46/27/588344627.db2.gz XJYBIRFEXVXFRE-UHFFFAOYSA-N 1 0 209.289 1.734 10 0 BDAERO C[C@H](CCO)[NH2+][C@H]1CCOc2ccccc21 ZINC000122855345 589639743 /nfs/dbraw/zinc/63/97/43/589639743.db2.gz NSRKEYLWDCTIQV-PWSUYJOCSA-N 1 0 221.300 1.871 10 0 BDAERO C[C@H]1C[N@H+](CCC2OCCO2)CCS1 ZINC000124144944 589951051 /nfs/dbraw/zinc/95/10/51/589951051.db2.gz SNGGLZYVNDZGNP-VIFPVBQESA-N 1 0 217.334 1.187 10 0 BDAERO C[C@@H]1C[N@H+](CC2(O)CCCCC2)C[C@@H]1N(C)C ZINC000124756499 590080988 /nfs/dbraw/zinc/08/09/88/590080988.db2.gz YQKHCDIXZMYHNO-OLZOCXBDSA-N 1 0 240.391 1.564 10 0 BDAERO c1ccc(Cc2noc([C@H]3CCC[NH2+]3)n2)nc1 ZINC000020558433 590121512 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/nfs/dbraw/zinc/48/55/17/631485517.db2.gz NNDPFFACQRPWBI-KWQFWETISA-N 1 0 229.283 1.820 10 0 BDAERO CCCCCC[C@@H](O)C[NH2+]C[C@@H](C)O ZINC000308747669 631564733 /nfs/dbraw/zinc/56/47/33/631564733.db2.gz SEODTHLJEDJYNB-GHMZBOCLSA-N 1 0 203.326 1.288 10 0 BDAERO [NH3+]C1CC(C(=O)NCCC2CCCC2)C1 ZINC000258674534 631580387 /nfs/dbraw/zinc/58/03/87/631580387.db2.gz IOPRWKOPAYVWHE-UHFFFAOYSA-N 1 0 210.321 1.420 10 0 BDAERO CC[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)C(C)C ZINC000308894876 631716288 /nfs/dbraw/zinc/71/62/88/631716288.db2.gz ZBNQTTGBCPAZGZ-GHMZBOCLSA-N 1 0 212.337 1.665 10 0 BDAERO O=C(CCC[NH2+]CCc1ccccc1)NC1CC1 ZINC000107844299 631766480 /nfs/dbraw/zinc/76/64/80/631766480.db2.gz IQRDITOBBKHUMD-UHFFFAOYSA-N 1 0 246.354 1.878 10 0 BDAERO [NH3+][C@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044677402 631819522 /nfs/dbraw/zinc/81/95/22/631819522.db2.gz RVVLAKYTNMYFKE-YNEHKIRRSA-N 1 0 202.301 1.576 10 0 BDAERO CCCC[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000309098764 631880884 /nfs/dbraw/zinc/88/08/84/631880884.db2.gz FVZCXUMXYZUADV-JTQLQIEISA-N 1 0 208.309 1.291 10 0 BDAERO C[NH2+]CCc1noc(CCOc2ccccc2)n1 ZINC000051850600 631963865 /nfs/dbraw/zinc/96/38/65/631963865.db2.gz LINIWHCWUBLQRN-UHFFFAOYSA-N 1 0 247.298 1.453 10 0 BDAERO Cc1ccc(F)cc1C(=O)NCC1CC([NH3+])C1 ZINC000091525738 632054849 /nfs/dbraw/zinc/05/48/49/632054849.db2.gz NSAINFRJBJRIKK-UHFFFAOYSA-N 1 0 236.290 1.601 10 0 BDAERO C[C@@H]1CC[C@H](c2nc([C@@H]3CCC[NH2+]C3)no2)O1 ZINC000158525302 635692129 /nfs/dbraw/zinc/69/21/29/635692129.db2.gz QPNVLCKCBNJPDC-OPRDCNLKSA-N 1 0 237.303 1.777 10 0 BDAERO C[NH2+]CCN(C)C[C@@H]1CCCCC1(F)F ZINC000327474671 632084124 /nfs/dbraw/zinc/08/41/24/632084124.db2.gz KODPHXWCENEEHM-JTQLQIEISA-N 1 0 220.307 1.963 10 0 BDAERO C[C@H](C[NH3+])c1noc(-c2ccccc2F)n1 ZINC000054158738 635776124 /nfs/dbraw/zinc/77/61/24/635776124.db2.gz UODLBCHDDFVZIP-SSDOTTSWSA-N 1 0 221.235 1.938 10 0 BDAERO CCC1CCC(NC(=O)[C@@H]([NH3+])CCOC)CC1 ZINC000052810095 632496899 /nfs/dbraw/zinc/49/68/99/632496899.db2.gz YRFUBXCRXPHQAH-MCIGGMRASA-N 1 0 242.363 1.435 10 0 BDAERO Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)O ZINC000309065041 632633820 /nfs/dbraw/zinc/63/38/20/632633820.db2.gz YWQXQHWSVGEDFF-NXEZZACHSA-N 1 0 211.280 1.993 10 0 BDAERO CCc1nc(CC[NH2+]C2CCCC2)no1 ZINC000309066616 632633883 /nfs/dbraw/zinc/63/38/83/632633883.db2.gz ZTJJNHBNZFGZAI-UHFFFAOYSA-N 1 0 209.293 1.707 10 0 BDAERO C/C=C(/C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309751984 632664853 /nfs/dbraw/zinc/66/48/53/632664853.db2.gz GYDPJGFFASHOEY-FKXDDPGMSA-N 1 0 208.305 1.148 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C)OC ZINC000177033207 632690816 /nfs/dbraw/zinc/69/08/16/632690816.db2.gz LSZVWGATMAAODD-NEPJUHHUSA-N 1 0 242.363 1.354 10 0 BDAERO C(c1noc(C[C@H]2CCC[NH2+]C2)n1)C1CCC1 ZINC000310125360 632701961 /nfs/dbraw/zinc/70/19/61/632701961.db2.gz DDMIFIHZZDRTPM-LLVKDONJSA-N 1 0 235.331 1.954 10 0 BDAERO COC[C@]1(c2nc(CC(C)C)no2)CC[NH2+]C1 ZINC000310390065 632733151 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636743255 /nfs/dbraw/zinc/74/32/55/636743255.db2.gz GRIBMOGSDSBFHK-UHFFFAOYSA-N 1 0 222.336 1.878 10 0 BDAERO CCC[C@H]1C[C@H]1[NH2+]C1CCN(OC)CC1 ZINC000323127357 636900207 /nfs/dbraw/zinc/90/02/07/636900207.db2.gz OLKWIIAHSACPDC-CMPLNLGQSA-N 1 0 212.337 1.790 10 0 BDAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCN(OC)CC1 ZINC000323127358 636901422 /nfs/dbraw/zinc/90/14/22/636901422.db2.gz OLKWIIAHSACPDC-JQWIXIFHSA-N 1 0 212.337 1.790 10 0 BDAERO CON1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000323132952 636903220 /nfs/dbraw/zinc/90/32/20/636903220.db2.gz SVIBTBFDZBOIHU-WCQYABFASA-N 1 0 242.363 1.153 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NC[C@H](C)C(C)(C)C ZINC000162005903 637138643 /nfs/dbraw/zinc/13/86/43/637138643.db2.gz XPEFGTPJXXKVPG-UWVGGRQHSA-N 1 0 214.353 1.912 10 0 BDAERO C[C@H]([NH2+]C1CCS(=O)CC1)C1CC1 ZINC000042336349 637179288 /nfs/dbraw/zinc/17/92/88/637179288.db2.gz HUTZGVMCFGCKOL-LUHBLDKBSA-N 1 0 201.335 1.286 10 0 BDAERO Cc1ncc(C[NH2+]C[C@H]2CC(=O)N(C)C2)s1 ZINC000722737484 711469656 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/nfs/dbraw/zinc/74/04/92/640740492.db2.gz XNCKBKKHPLWPKI-HBNTYKKESA-N 1 0 247.429 1.728 10 0 BDAERO CN(C/C=C/Cl)[C@@H]1CCC[NH2+]CC1 ZINC000226467784 640767679 /nfs/dbraw/zinc/76/76/79/640767679.db2.gz BMVWICPTLJBTKP-QLCVYAKKSA-N 1 0 202.729 1.813 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@H]2CCO[C@@H]2C)n1 ZINC000226528358 640770113 /nfs/dbraw/zinc/77/01/13/640770113.db2.gz PVLRUIPJWVORTM-PRJMDXOYSA-N 1 0 211.265 1.024 10 0 BDAERO OCCCCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227080757 640812665 /nfs/dbraw/zinc/81/26/65/640812665.db2.gz AFTYPDNQMZXWNH-CQSZACIVSA-N 1 0 240.391 1.709 10 0 BDAERO CO[C@@H](c1noc(C2CC[NH2+]CC2)n1)C1CC1 ZINC000227332970 640828044 /nfs/dbraw/zinc/82/80/44/640828044.db2.gz SZCJYLIUBMBGFH-SNVBAGLBSA-N 1 0 237.303 1.634 10 0 BDAERO COC(=O)[C@@H]1C[N@H+](Cc2ccncc2)C[C@@H]1C ZINC000227806970 640849733 /nfs/dbraw/zinc/84/97/33/640849733.db2.gz DDJBLWBBKFCLFQ-CMPLNLGQSA-N 1 0 234.299 1.323 10 0 BDAERO OCC1([NH2+]CCc2ccccc2)CCC1 ZINC000229156609 640929183 /nfs/dbraw/zinc/92/91/83/640929183.db2.gz VWAURZMVKSBQRT-UHFFFAOYSA-N 1 0 205.301 1.734 10 0 BDAERO CC(C)[C@@H]([NH3+])Cc1nc(CC2CC2)no1 ZINC000087584161 640933153 /nfs/dbraw/zinc/93/31/53/640933153.db2.gz IQIRKUPHJLVEAM-VIFPVBQESA-N 1 0 209.293 1.548 10 0 BDAERO C[NH2+][C@H](C)c1nc(-c2cscn2)no1 ZINC000087588704 640933728 /nfs/dbraw/zinc/93/37/28/640933728.db2.gz GHQLPPZGBUNFER-RXMQYKEDSA-N 1 0 210.262 1.474 10 0 BDAERO C[C@@]1([NH2+]CCc2ccccc2)CCOC1 ZINC000229447377 640957216 /nfs/dbraw/zinc/95/72/16/640957216.db2.gz YAADYYXUTGSSLW-CYBMUJFWSA-N 1 0 205.301 1.998 10 0 BDAERO CCOc1ccc2c(c1)C[C@H]([C@@H](C)[NH3+])CO2 ZINC000675064402 640962181 /nfs/dbraw/zinc/96/21/81/640962181.db2.gz ZNHHQXNZIZFYNC-KOLCDFICSA-N 1 0 221.300 1.984 10 0 BDAERO CC1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC000063145419 641137623 /nfs/dbraw/zinc/13/76/23/641137623.db2.gz YBCCQDBHDJMFIV-UHFFFAOYSA-N 1 0 239.363 1.428 10 0 BDAERO COC(=O)c1ccc2c(CC[NH3+])c[nH]c2c1 ZINC000044397503 641598090 /nfs/dbraw/zinc/59/80/90/641598090.db2.gz XWWAZOKMBRADNW-UHFFFAOYSA-N 1 0 218.256 1.456 10 0 BDAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1cccnc1 ZINC000089454421 641764113 /nfs/dbraw/zinc/76/41/13/641764113.db2.gz IDPBNZNTHSRKGQ-OLZOCXBDSA-N 1 0 247.342 1.115 10 0 BDAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000251582592 642410627 /nfs/dbraw/zinc/41/06/27/642410627.db2.gz NRXPCNUSSGXIMD-JOYOIKCWSA-N 1 0 210.321 1.385 10 0 BDAERO C[C@@H]1CN(c2cccc(Cl)n2)[C@@H](C)C[NH2+]1 ZINC000033906539 642442300 /nfs/dbraw/zinc/44/23/00/642442300.db2.gz IAEOFGLMAWBYPN-BDAKNGLRSA-N 1 0 225.723 1.922 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000233354219 642663824 /nfs/dbraw/zinc/66/38/24/642663824.db2.gz MLNXIMUXYAQQNT-UTLUCORTSA-N 1 0 230.377 1.514 10 0 BDAERO CC[C@@H](C)c1noc([C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000233876222 642707684 /nfs/dbraw/zinc/70/76/84/642707684.db2.gz SKMLKOTVCRIENJ-IWSPIJDZSA-N 1 0 209.293 1.906 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)Nc1ncccn1 ZINC000049558260 643084983 /nfs/dbraw/zinc/08/49/83/643084983.db2.gz GWAONJFTDYNDFT-LLVKDONJSA-N 1 0 222.336 1.865 10 0 BDAERO CCCCOC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183132715 643089983 /nfs/dbraw/zinc/08/99/83/643089983.db2.gz VCSHNMCLGLVWIZ-RYUDHWBXSA-N 1 0 243.347 1.877 10 0 BDAERO CCCc1noc(C[C@H]([NH3+])C(C)(C)C)n1 ZINC000071001572 643094285 /nfs/dbraw/zinc/09/42/85/643094285.db2.gz NPZHFMJMSLEUPN-QMMMGPOBSA-N 1 0 211.309 1.938 10 0 BDAERO [NH3+]CCCCCCC(=O)N[C@@H]1CCCOC1 ZINC000071023646 643094647 /nfs/dbraw/zinc/09/46/47/643094647.db2.gz KCCMVPWMNACZLE-LLVKDONJSA-N 1 0 228.336 1.191 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)[C@H]1OC ZINC000252791665 643118439 /nfs/dbraw/zinc/11/84/39/643118439.db2.gz UFRBVPGEUKJSNR-WUHRBBMRSA-N 1 0 243.347 1.338 10 0 BDAERO CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](O)CO ZINC000090281860 643127010 /nfs/dbraw/zinc/12/70/10/643127010.db2.gz BDYFPMOYORLLMD-WDEREUQCSA-N 1 0 239.315 1.089 10 0 BDAERO CC[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000049645496 643156175 /nfs/dbraw/zinc/15/61/75/643156175.db2.gz RHEDOTZMJOATRZ-GHMZBOCLSA-N 1 0 248.392 1.092 10 0 BDAERO CCOC(CN1[C@H](C)COC[C@@H]1C)OCC ZINC000184973785 643257688 /nfs/dbraw/zinc/25/76/88/643257688.db2.gz XNVLHPQWCWWCGT-PHIMTYICSA-N 1 0 231.336 1.495 10 0 BDAERO CCN(c1ccc(F)cn1)[C@H]1CC[NH2+]C1 ZINC000082425349 643312435 /nfs/dbraw/zinc/31/24/35/643312435.db2.gz QGYLPAYEPKBNSL-JTQLQIEISA-N 1 0 209.268 1.409 10 0 BDAERO Cc1cc(Cl)cnc1N1CC[C@@H]1C[NH3+] ZINC000757144209 643315696 /nfs/dbraw/zinc/31/56/96/643315696.db2.gz IWJCFDRUVXSPLK-SECBINFHSA-N 1 0 211.696 1.581 10 0 BDAERO Cc1ccc(C)c(CN2CC[C@H]2C[NH3+])c1 ZINC000757149166 643337063 /nfs/dbraw/zinc/33/70/63/643337063.db2.gz YOABVOIOBCLCPU-ZDUSSCGKSA-N 1 0 204.317 1.836 10 0 BDAERO CC(C)(C)Cc1noc([C@H]2C[NH2+]CCO2)n1 ZINC000082673419 643364553 /nfs/dbraw/zinc/36/45/53/643364553.db2.gz HIIBKBFKCROXDF-MRVPVSSYSA-N 1 0 225.292 1.319 10 0 BDAERO CC(C)n1ccc(C[NH2+]C(C)(C)CO)n1 ZINC000082720523 643371092 /nfs/dbraw/zinc/37/10/92/643371092.db2.gz UTOGJVIVOVLBEL-UHFFFAOYSA-N 1 0 211.309 1.325 10 0 BDAERO C[C@@H]1N[C@H](c2cccc(N)c2)CC[C@H]1[NH3+] ZINC000757211070 643371914 /nfs/dbraw/zinc/37/19/14/643371914.db2.gz FTRVCMCNEZFCAU-AXTRIDKLSA-N 1 0 205.305 1.409 10 0 BDAERO C[C@H](C[NH3+])c1noc([C@@H]2CC2(Cl)Cl)n1 ZINC000307312957 643439460 /nfs/dbraw/zinc/43/94/60/643439460.db2.gz GYKCXOACKYKEDZ-UHNVWZDZSA-N 1 0 236.102 1.793 10 0 BDAERO COc1ccc(F)cc1-c1cnn(CC[NH3+])c1 ZINC000049827140 643472931 /nfs/dbraw/zinc/47/29/31/643472931.db2.gz ZILFBLYPNWUBKC-UHFFFAOYSA-N 1 0 235.262 1.657 10 0 BDAERO Cc1ccsc1[C@H]1CCNC2=[NH+]CCN21 ZINC000235815526 643501917 /nfs/dbraw/zinc/50/19/17/643501917.db2.gz STMISZLPHVQTTQ-SECBINFHSA-N 1 0 221.329 1.763 10 0 BDAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C1CSC1 ZINC000307571160 643515665 /nfs/dbraw/zinc/51/56/65/643515665.db2.gz DUZNJKVGSVWCIK-JTQLQIEISA-N 1 0 207.298 1.825 10 0 BDAERO COC(=O)C[C@H]([NH3+])c1ccc(OC)c(Cl)c1 ZINC000083188513 643527613 /nfs/dbraw/zinc/52/76/13/643527613.db2.gz BCQIVBAFMIUCDS-VIFPVBQESA-N 1 0 243.690 1.912 10 0 BDAERO C[NH2+]C[C@@H]1CCCCN1c1nc(C)ns1 ZINC000083649071 643541092 /nfs/dbraw/zinc/54/10/92/643541092.db2.gz QBTTZOWIOMMUIS-VIFPVBQESA-N 1 0 226.349 1.425 10 0 BDAERO Cc1cn2c(n1)nccc2[C@@H]1CCC[NH2+]C1 ZINC000235992854 643561099 /nfs/dbraw/zinc/56/10/99/643561099.db2.gz MXOKPXOFQZTFEQ-SNVBAGLBSA-N 1 0 216.288 1.505 10 0 BDAERO Cc1ccc2c(nn3c2NCC[C@H]3C[NH3+])n1 ZINC000235995138 643562374 /nfs/dbraw/zinc/56/23/74/643562374.db2.gz XIEFYVFYIRBZBQ-QMMMGPOBSA-N 1 0 217.276 1.055 10 0 BDAERO CN[C@H](C)c1nc([C@@H]2CCCOC2)no1 ZINC000083720229 643623037 /nfs/dbraw/zinc/62/30/37/643623037.db2.gz FMJZQKXAVRDCSD-HTQZYQBOSA-N 1 0 211.265 1.244 10 0 BDAERO CC(C)CN(C)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084301743 643658198 /nfs/dbraw/zinc/65/81/98/643658198.db2.gz KIXUXFRYSTTYJV-NWDGAFQWSA-N 1 0 226.364 1.866 10 0 BDAERO [NH3+]C1CC(CNc2nc(C3CC3)ns2)C1 ZINC000084448018 643663464 /nfs/dbraw/zinc/66/34/64/643663464.db2.gz GPVKEKBYNYUHNT-UHFFFAOYSA-N 1 0 224.333 1.565 10 0 BDAERO Cc1cccc(C(=O)NCC2CC([NH3+])C2)c1 ZINC000084446866 643664201 /nfs/dbraw/zinc/66/42/01/643664201.db2.gz KLTNIESMAMTJNM-UHFFFAOYSA-N 1 0 218.300 1.462 10 0 BDAERO Cc1ncsc1CC[NH2+]C(C)(C)CO ZINC000050284799 643675971 /nfs/dbraw/zinc/67/59/71/643675971.db2.gz OQGSYCPIUUNDOH-UHFFFAOYSA-N 1 0 214.334 1.355 10 0 BDAERO CC(C)Cc1noc([C@H]2CC[C@H]([NH3+])C2)n1 ZINC000085007804 643677902 /nfs/dbraw/zinc/67/79/02/643677902.db2.gz NFSWYVULZJXHHS-IUCAKERBSA-N 1 0 209.293 1.863 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CO)cc1C ZINC000085246387 643698344 /nfs/dbraw/zinc/69/83/44/643698344.db2.gz GGPOQKHBRQESDR-WCQYABFASA-N 1 0 223.316 1.307 10 0 BDAERO C[C@@H]1C[NH+](CCC2OCCCO2)C[C@@H](C)O1 ZINC000085705200 643773847 /nfs/dbraw/zinc/77/38/47/643773847.db2.gz QGZLPKJPWFXIQF-GHMZBOCLSA-N 1 0 229.320 1.249 10 0 BDAERO CCC(CC)NC(=O)[C@H](C)[NH2+]C(C)(C)CO ZINC000035188354 643915160 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644910016 /nfs/dbraw/zinc/91/00/16/644910016.db2.gz JLEXYPKRZWBWDS-LLVKDONJSA-N 1 0 238.722 1.320 10 0 BDAERO C(c1noc([C@@H]2CCC[NH2+]C2)n1)C1CCC1 ZINC000304546204 644915435 /nfs/dbraw/zinc/91/54/35/644915435.db2.gz DZAYJOWCCDJYAV-SNVBAGLBSA-N 1 0 221.304 1.879 10 0 BDAERO C(c1noc(C[C@@H]2CCC[NH2+]2)n1)C1CCC1 ZINC000304571816 644916992 /nfs/dbraw/zinc/91/69/92/644916992.db2.gz IBKXPBLGYQQTHL-JTQLQIEISA-N 1 0 221.304 1.707 10 0 BDAERO CC(C)c1nccc(N(C)C[C@@H](C)[NH3+])n1 ZINC000107207204 645911961 /nfs/dbraw/zinc/91/19/61/645911961.db2.gz XGGQPKNMUIIXRO-SECBINFHSA-N 1 0 208.309 1.383 10 0 BDAERO Cc1cnc(N2C[C@@H](C)[C@H](CC[NH3+])C2)nc1C ZINC000723901953 711545034 /nfs/dbraw/zinc/54/50/34/711545034.db2.gz UKMVFQSMKRJEHG-ZYHUDNBSSA-N 1 0 234.347 1.515 10 0 BDAERO CCCNC(=S)N[C@@H]1CCC[N@H+](CC)C1 ZINC000136151925 711687960 /nfs/dbraw/zinc/68/79/60/711687960.db2.gz JLCBZCBNZDOFLM-SNVBAGLBSA-N 1 0 229.393 1.345 10 0 BDAERO [NH3+]C1(Cc2nc([C@@H]3CC34CC4)no2)CCC1 ZINC000700452274 711995133 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C[C@H]1C[C@@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712402630 712429163 /nfs/dbraw/zinc/42/91/63/712429163.db2.gz SZIFGMZFFMOMHJ-XPUUQOCRSA-N 1 0 244.136 1.681 10 0 BDAERO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC1(C)COC1 ZINC000712991114 712449748 /nfs/dbraw/zinc/44/97/48/712449748.db2.gz SKENRNQYPJVIEU-SNVBAGLBSA-N 1 0 242.363 1.149 10 0 BDAERO Cc1cc(C)cc(NC(=O)[C@H]2CO[C@H](C[NH3+])C2)c1 ZINC000713777967 712472433 /nfs/dbraw/zinc/47/24/33/712472433.db2.gz CMHIGQJHNIFDHL-YPMHNXCESA-N 1 0 248.326 1.606 10 0 BDAERO Cc1cccc(NC(=O)[C@@H]2CO[C@@H](C[NH3+])C2)c1C ZINC000713771057 712472481 /nfs/dbraw/zinc/47/24/81/712472481.db2.gz FYBCZQHQRSZQDZ-NWDGAFQWSA-N 1 0 248.326 1.606 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](C(=O)Nc2ccccc2F)CO1 ZINC000713806941 712472824 /nfs/dbraw/zinc/47/28/24/712472824.db2.gz WHJLQVGXNZXSBN-IUCAKERBSA-N 1 0 238.262 1.128 10 0 BDAERO [NH3+]C[C@H]1C[C@H](C(=O)Nc2cccc(F)c2)CO1 ZINC000713804476 712472833 /nfs/dbraw/zinc/47/28/33/712472833.db2.gz INSZMVSNZLCUGV-GZMMTYOYSA-N 1 0 238.262 1.128 10 0 BDAERO CC[C@@H]1C[C@H]([NH2+]C2CC(COC)C2)CCO1 ZINC000713926387 712473294 /nfs/dbraw/zinc/47/32/94/712473294.db2.gz GDCHWEVSYIHGAQ-POOIEITISA-N 1 0 227.348 1.959 10 0 BDAERO [NH3+]C[C@H]1C[C@H](C(=O)NCC2CCCCC2)CO1 ZINC000713928898 712473924 /nfs/dbraw/zinc/47/39/24/712473924.db2.gz NVOURINIZGZQPN-NWDGAFQWSA-N 1 0 240.347 1.047 10 0 BDAERO COCC1CC(NC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000713946315 712474118 /nfs/dbraw/zinc/47/41/18/712474118.db2.gz RIWBBRJWOMLXRJ-XIVSLSHWSA-N 1 0 240.347 1.060 10 0 BDAERO COCC1CC([NH2+]Cc2cnn(C)c2Cl)C1 ZINC000713960693 712474977 /nfs/dbraw/zinc/47/49/77/712474977.db2.gz HDEOKAQHNUZVIR-UHFFFAOYSA-N 1 0 243.738 1.588 10 0 BDAERO CCO[C@@H]1C[C@@H]([NH2+]C2CC(COC)C2)[C@H]1OC ZINC000713961161 712475058 /nfs/dbraw/zinc/47/50/58/712475058.db2.gz SJIYIVPGZYJIRG-RKJHCZSYSA-N 1 0 243.347 1.193 10 0 BDAERO COCC1CC([NH2+][C@H]2CCC[C@@H]2OC)C1 ZINC000713963284 712475059 /nfs/dbraw/zinc/47/50/59/712475059.db2.gz WTIHUDYVUQKTFV-QQFIATSDSA-N 1 0 213.321 1.569 10 0 BDAERO COCC1CC([NH2+][C@@H]2CCSC2)C1 ZINC000713981664 712475902 /nfs/dbraw/zinc/47/59/02/712475902.db2.gz VEOSBNNAHPRAOF-HWOCKDDLSA-N 1 0 201.335 1.507 10 0 BDAERO COCC1CC([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000713983431 712476140 /nfs/dbraw/zinc/47/61/40/712476140.db2.gz BBSSUMYXIBIJDJ-UHFFFAOYSA-N 1 0 248.326 1.300 10 0 BDAERO COCC1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000713985288 712476324 /nfs/dbraw/zinc/47/63/24/712476324.db2.gz ZBDLOMWZGMNTKB-UXUKBGGZSA-N 1 0 235.327 1.735 10 0 BDAERO COCC1CC([NH2+]C2CCC(C)(O)CC2)C1 ZINC000713995671 712477033 /nfs/dbraw/zinc/47/70/33/712477033.db2.gz LPPJNZIQGZQUQZ-UHFFFAOYSA-N 1 0 227.348 1.695 10 0 BDAERO [NH3+]C[C@H]1C[C@@H](c2nc(CC3CCC3)no2)CO1 ZINC000714059722 712477883 /nfs/dbraw/zinc/47/78/83/712477883.db2.gz PCSHKTOUFFQDHV-NXEZZACHSA-N 1 0 237.303 1.243 10 0 BDAERO CCC1([NH3+])CCN(c2nccc(C)n2)CC1 ZINC000714752713 712497067 /nfs/dbraw/zinc/49/70/67/712497067.db2.gz YUWIKUNFUWYUPK-UHFFFAOYSA-N 1 0 220.320 1.493 10 0 BDAERO CCC1([NH3+])CCN(c2nc(C)cnc2C)CC1 ZINC000714752060 712497181 /nfs/dbraw/zinc/49/71/81/712497181.db2.gz MIQUDDHDPXRGKM-UHFFFAOYSA-N 1 0 234.347 1.801 10 0 BDAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cn(CC)nn1 ZINC000714875490 712502158 /nfs/dbraw/zinc/50/21/58/712502158.db2.gz KBALUHMSSPXFKL-GXSJLCMTSA-N 1 0 208.309 1.576 10 0 BDAERO C([C@@H]1CCCO1)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715014258 712503867 /nfs/dbraw/zinc/50/38/67/712503867.db2.gz UOHZXENCGOEMBW-RWMBFGLXSA-N 1 0 224.348 1.239 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ccc(C(F)(F)F)nn2)C1 ZINC000715084876 712507529 /nfs/dbraw/zinc/50/75/29/712507529.db2.gz DJVYZEUACWBFLU-KNVOCYPGSA-N 1 0 246.236 1.645 10 0 BDAERO CC(C)Oc1cc(NC[C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000715095577 712508469 /nfs/dbraw/zinc/50/84/69/712508469.db2.gz GGVWWEXLGLNTLL-MGCOHNPYSA-N 1 0 236.319 1.413 10 0 BDAERO CCCOc1ccnc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715096043 712508499 /nfs/dbraw/zinc/50/84/99/712508499.db2.gz JKTFABLYRMYCKK-MGCOHNPYSA-N 1 0 236.319 1.415 10 0 BDAERO CCCc1nsc(NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000715122764 712510971 /nfs/dbraw/zinc/51/09/71/712510971.db2.gz LTTTVUJFUGVTTF-OCAPTIKFSA-N 1 0 226.349 1.640 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ncncc2Cl)C1 ZINC000715128047 712511333 /nfs/dbraw/zinc/51/13/33/712511333.db2.gz JOMDZXFNWDRXNL-LJGSYFOKSA-N 1 0 212.684 1.279 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715140570 712511645 /nfs/dbraw/zinc/51/16/45/712511645.db2.gz GRMFYYJHUQAWGC-VHSXEESVSA-N 1 0 231.336 1.135 10 0 BDAERO CCC[C@H]1C[C@@H]1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715147421 712512386 /nfs/dbraw/zinc/51/23/86/712512386.db2.gz JYGXBAPIFANCPW-JBDRJPRFSA-N 1 0 232.274 1.131 10 0 BDAERO CC(C)N(C)C(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715465272 712519717 /nfs/dbraw/zinc/51/97/17/712519717.db2.gz LISQHIRVWYNCIQ-DGCLKSJQSA-N 1 0 224.348 1.633 10 0 BDAERO Cn1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)n1 ZINC000715482316 712520614 /nfs/dbraw/zinc/52/06/14/712520614.db2.gz HGFOMNZSGBGKHT-ZWNOBZJWSA-N 1 0 248.330 1.138 10 0 BDAERO O=C(Nc1ccccn1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715362623 712521775 /nfs/dbraw/zinc/52/17/75/712521775.db2.gz UZPJSVGUPPTMNT-BXUZGUMPSA-N 1 0 245.326 1.800 10 0 BDAERO Cc1c[nH]nc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000715381458 712521940 /nfs/dbraw/zinc/52/19/40/712521940.db2.gz HBUKFKFJPFQGLH-SRVKXCTJSA-N 1 0 235.331 1.311 10 0 BDAERO CC(C)(C)[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715388716 712522426 /nfs/dbraw/zinc/52/24/26/712522426.db2.gz NFQOSGSVBWOXKS-YIZRAAEISA-N 1 0 219.275 1.590 10 0 BDAERO O=C(Nc1cn[nH]c1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715490176 712522846 /nfs/dbraw/zinc/52/28/46/712522846.db2.gz CWTHXLAWNMADCV-BXKDBHETSA-N 1 0 234.303 1.128 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000715518160 712524966 /nfs/dbraw/zinc/52/49/66/712524966.db2.gz DVBJLBHBNOPRCS-QCLAVDOMSA-N 1 0 244.285 1.085 10 0 BDAERO C[NH+](C)C1CCC(NC(=O)n2ccnc2)CC1 ZINC000715525195 712525724 /nfs/dbraw/zinc/52/57/24/712525724.db2.gz HIKNOAAFHABTHQ-UHFFFAOYSA-N 1 0 236.319 1.314 10 0 BDAERO C(C[C@@H]1CCCS1)N[C@@H]1CC[NH2+]C1 ZINC000715731942 712531091 /nfs/dbraw/zinc/53/10/91/712531091.db2.gz LUJLBJABEHVILV-ZJUUUORDSA-N 1 0 200.351 1.224 10 0 BDAERO CC[C@@H]([NH2+][C@H](C)c1cn(C)nn1)C(C)C ZINC000715845806 712536177 /nfs/dbraw/zinc/53/61/77/712536177.db2.gz VRYUMILQPAKYTI-NXEZZACHSA-N 1 0 210.325 1.900 10 0 BDAERO CC[C@H]([NH2+]C1CCS(=O)(=O)CC1)C(C)C ZINC000037269871 712564960 /nfs/dbraw/zinc/56/49/60/712564960.db2.gz KNFWZDAKCMWKIE-NSHDSACASA-N 1 0 233.377 1.588 10 0 BDAERO CCO[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)C1(C)C ZINC000716688217 712570472 /nfs/dbraw/zinc/57/04/72/712570472.db2.gz VSADSBWXGCRKPJ-TVUZUIDESA-N 1 0 240.347 1.044 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C2CC(C(N)=O)C2)CS1 ZINC000716717635 712570687 /nfs/dbraw/zinc/57/06/87/712570687.db2.gz RPOLMDGXRUVRGP-PRWFHZCQSA-N 1 0 228.361 1.124 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000716731339 712571577 /nfs/dbraw/zinc/57/15/77/712571577.db2.gz LOSITIULRUVXPM-QEIKUCIBSA-N 1 0 248.301 1.667 10 0 BDAERO Cc1cc(C[NH2+]C2CC(C(N)=O)C2)cc(C)c1O ZINC000716732394 712571603 /nfs/dbraw/zinc/57/16/03/712571603.db2.gz RWUSENYLGHYNEN-UHFFFAOYSA-N 1 0 248.326 1.363 10 0 BDAERO NC(=O)C1CC([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000716740215 712571621 /nfs/dbraw/zinc/57/16/21/712571621.db2.gz HYZXTLHFVKYWGQ-HTAVTVPLSA-N 1 0 222.332 1.419 10 0 BDAERO C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)C[C@@H](C)C1 ZINC000716759041 712572468 /nfs/dbraw/zinc/57/24/68/712572468.db2.gz DTJVUXFTWAPWHE-NWBXKSJZSA-N 1 0 224.348 1.665 10 0 BDAERO NC(=O)C1CC([NH2+]C2CCCCCCC2)C1 ZINC000716761273 712572763 /nfs/dbraw/zinc/57/27/63/712572763.db2.gz RKVXLOMURLJBHO-UHFFFAOYSA-N 1 0 224.348 1.953 10 0 BDAERO C[C@H]1CCC[C@@H](C[NH2+]C2CC(C(N)=O)C2)C1 ZINC000716760804 712572899 /nfs/dbraw/zinc/57/28/99/712572899.db2.gz OYYUKADZDKUXLG-DMOGRIERSA-N 1 0 224.348 1.666 10 0 BDAERO CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1CCCC[C@H]1O ZINC000716876868 712579779 /nfs/dbraw/zinc/57/97/79/712579779.db2.gz SBHOYJPLWQWSAW-DDHJBXDOSA-N 1 0 215.337 1.429 10 0 BDAERO CC[C@@H](C[C@H](C)O)[NH2+][C@@H]1CCCC[C@H]1O ZINC000716876872 712579907 /nfs/dbraw/zinc/57/99/07/712579907.db2.gz SBHOYJPLWQWSAW-NNYUYHANSA-N 1 0 215.337 1.429 10 0 BDAERO CC[C@@H](C[C@@H](C)O)[NH2+][C@@H]1CCCC[C@H]1O ZINC000716876882 712579939 /nfs/dbraw/zinc/57/99/39/712579939.db2.gz SBHOYJPLWQWSAW-WRWGMCAJSA-N 1 0 215.337 1.429 10 0 BDAERO CC[C@H](C[C@H](C)O)[NH2+]C[C@H](O)C(C)(C)C ZINC000716886779 712580452 /nfs/dbraw/zinc/58/04/52/712580452.db2.gz RKVDBIOCJYUWQC-AXFHLTTASA-N 1 0 217.353 1.533 10 0 BDAERO FC1(F)CC[NH2+]C[C@@H]1CNc1ccccn1 ZINC000717008059 712604084 /nfs/dbraw/zinc/60/40/84/712604084.db2.gz AVYITBKRCXKOOU-SECBINFHSA-N 1 0 227.258 1.738 10 0 BDAERO CC(C)C1(O)C[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000379901459 712622078 /nfs/dbraw/zinc/62/20/78/712622078.db2.gz IKKWCBWVGFCGGZ-SNVBAGLBSA-N 1 0 215.337 1.096 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000379947430 712636021 /nfs/dbraw/zinc/63/60/21/712636021.db2.gz RKUMWUFAWJOVNU-WPRPVWTQSA-N 1 0 210.252 1.488 10 0 BDAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H](C)O)cc1 ZINC000717389606 712653297 /nfs/dbraw/zinc/65/32/97/712653297.db2.gz XKFHSOVLWKDBBH-MISXGVKJSA-N 1 0 237.343 1.641 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CC(C)(C)CO1 ZINC000717653560 712663183 /nfs/dbraw/zinc/66/31/83/712663183.db2.gz XSIIVGSBPJWORG-GHMZBOCLSA-N 1 0 242.363 1.291 10 0 BDAERO CC(=O)[C@@H]1CCC[N@@H+](CCCC(=O)N(C)C)C1 ZINC000111690109 712688587 /nfs/dbraw/zinc/68/85/87/712688587.db2.gz IVSBOZYCLPKOGI-GFCCVEGCSA-N 1 0 240.347 1.156 10 0 BDAERO [NH3+]C[C@@H]1CCN(c2ccnc3ncccc23)C1 ZINC000718929461 712788176 /nfs/dbraw/zinc/78/81/76/712788176.db2.gz IHUFRVPFVKATOT-JTQLQIEISA-N 1 0 228.299 1.415 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccnc2ncccc12 ZINC000718930569 712788479 /nfs/dbraw/zinc/78/84/79/712788479.db2.gz PCWKNEBZABWYJJ-KOLCDFICSA-N 1 0 228.299 1.556 10 0 BDAERO C[C@H]1CN(c2ccnc3ncccc32)CC[NH2+]1 ZINC000718928356 712789920 /nfs/dbraw/zinc/78/99/20/712789920.db2.gz CBGJVSALWUMSML-JTQLQIEISA-N 1 0 228.299 1.428 10 0 BDAERO C[C@@H]([NH3+])[C@H]1CCN(c2ccnc3ncccc23)C1 ZINC000718982348 712791696 /nfs/dbraw/zinc/79/16/96/712791696.db2.gz PZNSAWZODDGHOI-MNOVXSKESA-N 1 0 242.326 1.803 10 0 BDAERO C[C@@H]1C[C@H]([NH3+])CN1c1ccnc2ncccc12 ZINC000718984795 712791826 /nfs/dbraw/zinc/79/18/26/712791826.db2.gz DRJGILVCZHEEJN-ZJUUUORDSA-N 1 0 228.299 1.556 10 0 BDAERO C[C@H](C[NH3+])Nc1ccnc2ncccc12 ZINC000718987106 712792352 /nfs/dbraw/zinc/79/23/52/712792352.db2.gz QCUXUYPXVYIZMH-MRVPVSSYSA-N 1 0 202.261 1.389 10 0 BDAERO CSC1CC([NH2+]Cc2cnc3n2CCC3)C1 ZINC000719153180 712798973 /nfs/dbraw/zinc/79/89/73/712798973.db2.gz CEXLICSQAFCTDO-UHFFFAOYSA-N 1 0 237.372 1.813 10 0 BDAERO C[C@H](NCc1ncc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000719402619 712807356 /nfs/dbraw/zinc/80/73/56/712807356.db2.gz SSKNPCABJFESLO-JGVFFNPUSA-N 1 0 245.779 1.884 10 0 BDAERO O=C(NCc1ncc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000719429678 712807405 /nfs/dbraw/zinc/80/74/05/712807405.db2.gz JYNNWAXUSWELCK-ZCFIWIBFSA-N 1 0 245.735 1.022 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719701764 712821900 /nfs/dbraw/zinc/82/19/00/712821900.db2.gz NWBVRRQSBDZDDA-AAEUAGOBSA-N 1 0 229.364 1.630 10 0 BDAERO c1ccc(N[C@H]2C[NH2+]CC3(CCOCC3)C2)nc1 ZINC000720238288 712829852 /nfs/dbraw/zinc/82/98/52/712829852.db2.gz OFZYSKDVDWDRBE-GFCCVEGCSA-N 1 0 247.342 1.652 10 0 BDAERO Cc1conc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000720379706 712837103 /nfs/dbraw/zinc/83/71/03/712837103.db2.gz ONHJRIKCUHRMFH-SRVKXCTJSA-N 1 0 236.315 1.576 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1(C)CC(F)(F)C1 ZINC000720477644 712845810 /nfs/dbraw/zinc/84/58/10/712845810.db2.gz XBXQPXGXEIUGFJ-DTWKUNHWSA-N 1 0 246.301 1.679 10 0 BDAERO Cc1cc(C[N@@H+]2CC[C@H](CCO)C2)c(C)nn1 ZINC000720586845 712852155 /nfs/dbraw/zinc/85/21/55/712852155.db2.gz IECGODHQSKOLCC-GFCCVEGCSA-N 1 0 235.331 1.298 10 0 BDAERO COCCC[C@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000720591564 712855835 /nfs/dbraw/zinc/85/58/35/712855835.db2.gz PCEAUQKUUCTUKE-VHSXEESVSA-N 1 0 226.324 1.281 10 0 BDAERO CC(C)n1nccc1CN[C@H](C)c1cn(C)nn1 ZINC000720590896 712856081 /nfs/dbraw/zinc/85/60/81/712856081.db2.gz MECYFXZOBNXLQX-SNVBAGLBSA-N 1 0 248.334 1.443 10 0 BDAERO Cc1cc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c(C)nn1 ZINC000720604907 712857797 /nfs/dbraw/zinc/85/77/97/712857797.db2.gz GZHCMJPFIIBYNX-NOZJJQNGSA-N 1 0 235.331 1.296 10 0 BDAERO CC1(C)CN(c2cn[nH]c(=O)c2Cl)C[C@@H]1[NH3+] ZINC000720747469 712863355 /nfs/dbraw/zinc/86/33/55/712863355.db2.gz LRWQAPBRWFQANE-ZETCQYMHSA-N 1 0 242.710 1.009 10 0 BDAERO [NH3+]C[C@H]1CN(c2cnccn2)C[C@H]1C(F)(F)F ZINC000720867986 712872181 /nfs/dbraw/zinc/87/21/81/712872181.db2.gz AJWKHKZYNJHDHQ-JGVFFNPUSA-N 1 0 246.236 1.050 10 0 BDAERO COC(=O)[C@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)C[C@@H]1C ZINC000721109605 712891031 /nfs/dbraw/zinc/89/10/31/712891031.db2.gz FYMVXFMSEFVVOU-YFKTTZPYSA-N 1 0 241.331 1.152 10 0 BDAERO CC(C)[C@@H](C)NC(=O)CC(C)(C)C[NH3+] ZINC000721145030 712892071 /nfs/dbraw/zinc/89/20/71/712892071.db2.gz CULNQVGBBTTXQR-SECBINFHSA-N 1 0 200.326 1.522 10 0 BDAERO C[C@H](CC(=O)[O-])[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396494732 968227177 /nfs/dbraw/zinc/22/71/77/968227177.db2.gz QUSDZKXDDAURRV-ZJUUUORDSA-N 1 0 228.336 1.170 10 0 BDAERO C[C@@H](CC[NH2+]C1CCC(C(=O)[O-])CC1)[NH+](C)C ZINC000697825084 976863507 /nfs/dbraw/zinc/86/35/07/976863507.db2.gz FHMNRJPYZDIVOD-UNXYVOJBSA-N 1 0 242.363 1.560 10 0 BDAERO C/C(=C/C(=O)[O-])C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000705129076 977267656 /nfs/dbraw/zinc/26/76/56/977267656.db2.gz BZTOOVFQUJWDOR-RDQDRAATSA-N 1 0 240.347 1.291 10 0 BDAERO C/C(=C\C(=O)[O-])C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000705129085 977267932 /nfs/dbraw/zinc/26/79/32/977267932.db2.gz BZTOOVFQUJWDOR-YTRUQHMWSA-N 1 0 240.347 1.291 10 0 BDAERO CC[NH2+][C@@H]1CC[C@@H](S(C)(=O)=O)[C@@H](C)C1 ZINC000685954485 538899401 /nfs/dbraw/zinc/89/94/01/538899401.db2.gz NKHYPMQWJFMGOF-IVZWLZJFSA-N 1 0 219.350 1.198 10 0 BDAERO CC(C)[C@@H]1CC[C@@H](S(C)(=O)=O)[C@H]([NH3+])C1 ZINC000685954853 538900267 /nfs/dbraw/zinc/90/02/67/538900267.db2.gz QAYJRUWFMFVGTR-OPRDCNLKSA-N 1 0 219.350 1.183 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000685955166 538900311 /nfs/dbraw/zinc/90/03/11/538900311.db2.gz VKSVQVOBDOZFIL-OUAUKWLOSA-N 1 0 233.377 1.575 10 0 BDAERO CCCS(=O)(=O)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC ZINC000685955148 538900415 /nfs/dbraw/zinc/90/04/15/538900415.db2.gz URJPJMXRGKCZBL-QJPTWQEYSA-N 1 0 247.404 1.978 10 0 BDAERO CCCS(=O)(=O)[C@H]1CC(C)(C)CC[C@H]1C[NH3+] ZINC000685955438 538901304 /nfs/dbraw/zinc/90/13/04/538901304.db2.gz ZJVZFWXGACVYFT-QWRGUYRKSA-N 1 0 247.404 1.965 10 0 BDAERO CCCN(CC(F)(F)CNC)C1CC1 ZINC000685957083 538903477 /nfs/dbraw/zinc/90/34/77/538903477.db2.gz LZSZTDGDNJPRRA-UHFFFAOYSA-N 1 0 206.280 1.716 10 0 BDAERO NCC(F)(F)CN1C[C@@H]2CCCC[C@@H]21 ZINC000685957635 538905113 /nfs/dbraw/zinc/90/51/13/538905113.db2.gz WDLATWCSHMOHHX-IUCAKERBSA-N 1 0 204.264 1.455 10 0 BDAERO CNCC(F)(F)CN(C)CC(C)(C)C ZINC000685957838 538905188 /nfs/dbraw/zinc/90/51/88/538905188.db2.gz IJHPRRFRBDMNHX-UHFFFAOYSA-N 1 0 208.296 1.819 10 0 BDAERO CC1([NH+]2CCSCC2)CC[NH2+]CC1 ZINC000685960956 538908197 /nfs/dbraw/zinc/90/81/97/538908197.db2.gz INZZKCADQGVILG-UHFFFAOYSA-N 1 0 200.351 1.177 10 0 BDAERO CC(C)[NH2+]CC[C@H](CO)[C@H]1CCCOC1 ZINC000685960738 538908338 /nfs/dbraw/zinc/90/83/38/538908338.db2.gz AYZHNKKNJWYNFI-NEPJUHHUSA-N 1 0 215.337 1.410 10 0 BDAERO CCC[NH2+]CC[C@H](CO)[C@H]1CCOC1 ZINC000685963255 538908572 /nfs/dbraw/zinc/90/85/72/538908572.db2.gz KDJKMSRVQCZYAW-MNOVXSKESA-N 1 0 201.310 1.021 10 0 BDAERO CC[C@H](C)[NH2+]CC[C@@H](CO)C1CCOCC1 ZINC000685963306 538909537 /nfs/dbraw/zinc/90/95/37/538909537.db2.gz LRTMNBJISRLQCB-AAEUAGOBSA-N 1 0 229.364 1.800 10 0 BDAERO OC[C@@H](CC[NH2+]C1CCC1)[C@@H]1CCOC1 ZINC000685963011 538909588 /nfs/dbraw/zinc/90/95/88/538909588.db2.gz DCHPUIIOVFJJEI-GHMZBOCLSA-N 1 0 213.321 1.164 10 0 BDAERO OC[C@H](CC[NH2+]C1CCC1)[C@@H]1CCOC1 ZINC000685963014 538909600 /nfs/dbraw/zinc/90/96/00/538909600.db2.gz DCHPUIIOVFJJEI-WDEREUQCSA-N 1 0 213.321 1.164 10 0 BDAERO CCCn1nc(C[NH3+])cc1C(F)(F)F ZINC000685963028 538909793 /nfs/dbraw/zinc/90/97/93/538909793.db2.gz DYHGKIBXCUKRAM-UHFFFAOYSA-N 1 0 207.199 1.771 10 0 BDAERO CCC[NH2+]CC[C@H](CO)[C@H]1CCCOC1 ZINC000685963079 538910065 /nfs/dbraw/zinc/91/00/65/538910065.db2.gz GEGWGNIEJPLWFE-NEPJUHHUSA-N 1 0 215.337 1.411 10 0 BDAERO Cn1ncc2cncc(C3=CC[NH2+]CC3)c21 ZINC000685953192 538897447 /nfs/dbraw/zinc/89/74/47/538897447.db2.gz TZSJQTIWUDOBNT-UHFFFAOYSA-N 1 0 214.272 1.345 10 0 BDAERO CCC(CC)[NH2+]CC[C@H](CO)[C@H]1CCOC1 ZINC000685963879 538910805 /nfs/dbraw/zinc/91/08/05/538910805.db2.gz ZALFQIWDWLFNRP-NEPJUHHUSA-N 1 0 229.364 1.800 10 0 BDAERO C[C@@]1(N)C[NH2+]C[C@H]1c1ccccc1C1CC1 ZINC000685965622 538912261 /nfs/dbraw/zinc/91/22/61/538912261.db2.gz LQKPQHUTAAIGON-UONOGXRCSA-N 1 0 216.328 1.968 10 0 BDAERO COc1cc([C@H]2C[NH2+]C[C@]2(C)N)ccc1C ZINC000685965767 538912542 /nfs/dbraw/zinc/91/25/42/538912542.db2.gz RWCHAXDFIHVMBG-YPMHNXCESA-N 1 0 220.316 1.408 10 0 BDAERO Cc1cc(C)nc(S[C@H]2CCC[NH2+]C2)n1 ZINC000051608118 177947664 /nfs/dbraw/zinc/94/76/64/177947664.db2.gz SQDXLSPCLFAYMH-JTQLQIEISA-N 1 0 223.345 1.938 10 0 BDAERO C[C@@H]1OCC[C@@H]1Sc1cc(N)ccn1 ZINC000235339195 398141431 /nfs/dbraw/zinc/14/14/31/398141431.db2.gz VPHICFGOASDVLJ-CBAPKCEASA-N 1 0 210.302 1.933 10 0 BDAERO C[C@@H](C[NH3+])c1nccc(C(F)(F)F)n1 ZINC000070949232 398142563 /nfs/dbraw/zinc/14/25/63/398142563.db2.gz MOISVSZKVZBAJO-YFKPBYRVSA-N 1 0 205.183 1.558 10 0 BDAERO CC[C@@H]([NH3+])c1ncc(Br)cn1 ZINC000070947888 398142670 /nfs/dbraw/zinc/14/26/70/398142670.db2.gz OAYDMEYBCAKQLJ-ZCFIWIBFSA-N 1 0 216.082 1.649 10 0 BDAERO Cc1cc(CCOC(=O)CC[NH3+])c(C)n1C ZINC000077337237 177965734 /nfs/dbraw/zinc/96/57/34/177965734.db2.gz DHZDONYJMRZBLW-UHFFFAOYSA-N 1 0 224.304 1.076 10 0 BDAERO CCC(CC)(C[NH3+])N1C(=O)CC(C)(C)CC1=O ZINC000111823217 168322615 /nfs/dbraw/zinc/32/26/15/168322615.db2.gz CZZXXCZEYUVWGJ-UHFFFAOYSA-N 1 0 240.347 1.679 10 0 BDAERO CCSCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000158806372 136214079 /nfs/dbraw/zinc/21/40/79/136214079.db2.gz BOEJXGNUNFCYES-GARJFASQSA-N 1 0 244.404 1.490 10 0 BDAERO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000071373375 398147979 /nfs/dbraw/zinc/14/79/79/398147979.db2.gz IOJANHDPMBVRLJ-BXKDBHETSA-N 1 0 226.320 1.653 10 0 BDAERO Cc1cc(CN2CCSCC2)oc1C[NH3+] ZINC000052425634 177998124 /nfs/dbraw/zinc/99/81/24/177998124.db2.gz PQPNMPLBYKQBFM-UHFFFAOYSA-N 1 0 226.345 1.596 10 0 BDAERO c1[nH]c2ccccc2c1N1CC[NH2+]CC1 ZINC000071479186 398153967 /nfs/dbraw/zinc/15/39/67/398153967.db2.gz VASVHOLFOSSBKT-UHFFFAOYSA-N 1 0 201.273 1.578 10 0 BDAERO N#CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000306682401 398172281 /nfs/dbraw/zinc/17/22/81/398172281.db2.gz RAHXJWBHBLFDSQ-SOUVJXGZSA-N 1 0 241.338 1.968 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cs1 ZINC000296751806 178033611 /nfs/dbraw/zinc/03/36/11/178033611.db2.gz KMAVARSCQYOVBV-MWLCHTKSSA-N 1 0 238.356 1.813 10 0 BDAERO Cc1cc(CNc2[nH+]cc(N)cc2C)on1 ZINC000052813408 178044257 /nfs/dbraw/zinc/04/42/57/178044257.db2.gz HQFDBLHSACUENF-UHFFFAOYSA-N 1 0 218.260 1.881 10 0 BDAERO Cc1cc(C[C@@H](C)[NH3+])nc(CC(C)C)n1 ZINC000054835370 178055191 /nfs/dbraw/zinc/05/51/91/178055191.db2.gz ISVOUWZGNJAVEH-SECBINFHSA-N 1 0 207.321 1.873 10 0 BDAERO COc1ncc(C[NH2+]CC2CC(O)C2)s1 ZINC000380012687 398181475 /nfs/dbraw/zinc/18/14/75/398181475.db2.gz MILLTXVDOZMVHY-UHFFFAOYSA-N 1 0 228.317 1.012 10 0 BDAERO C[NH2+][C@H](C)CNc1nc2ccccc2cc1C ZINC000379723547 398162972 /nfs/dbraw/zinc/16/29/72/398162972.db2.gz OFRBLFDYBKEDIR-LLVKDONJSA-N 1 0 229.327 1.985 10 0 BDAERO Cc1cc(Cl)ccc1N(C)C(=O)C[NH3+] ZINC000020262008 178067780 /nfs/dbraw/zinc/06/77/80/178067780.db2.gz UWSPZDHBILQUTP-UHFFFAOYSA-N 1 0 212.680 1.570 10 0 BDAERO Cc1cc(Cl)nc(OCC2CC[NH2+]CC2)n1 ZINC000095068953 178071220 /nfs/dbraw/zinc/07/12/20/178071220.db2.gz BZIYMFCHGYQKJD-UHFFFAOYSA-N 1 0 241.722 1.817 10 0 BDAERO [NH3+][C@H](c1ccc[nH]1)[C@H]1CSCCS1 ZINC000307443874 398167082 /nfs/dbraw/zinc/16/70/82/398167082.db2.gz CIFLONBBQLVEST-RKDXNWHRSA-N 1 0 214.359 1.863 10 0 BDAERO Nc1ncccc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000649386195 398193054 /nfs/dbraw/zinc/19/30/54/398193054.db2.gz GLCFTCACPCGXIT-MWLCHTKSSA-N 1 0 203.289 1.648 10 0 BDAERO CC(C)n1cc([C@@H]2[NH2+]C[C@]23CCOC3)cn1 ZINC000536960876 398199840 /nfs/dbraw/zinc/19/98/40/398199840.db2.gz UVWNYJYVUAVKHE-RYUDHWBXSA-N 1 0 221.304 1.515 10 0 BDAERO CC1(C)C[C@@]2(CC[C@@H](C[NH3+])O2)C(C)(C)O1 ZINC000379778346 398196416 /nfs/dbraw/zinc/19/64/16/398196416.db2.gz DYOZVQNCKVQWKH-CABZTGNLSA-N 1 0 213.321 1.840 10 0 BDAERO C[C@@]1(C[NH3+])COc2c(F)ccc(F)c2O1 ZINC000536954245 398198010 /nfs/dbraw/zinc/19/80/10/398198010.db2.gz LPRIPMYIHAERAA-SNVBAGLBSA-N 1 0 215.199 1.453 10 0 BDAERO C[C@H]([NH3+])[C@H](C)N1CCS[C@H](C)[C@@H]1C ZINC000306789002 398200974 /nfs/dbraw/zinc/20/09/74/398200974.db2.gz SQYZLRCNIGQINB-AATLWQCWSA-N 1 0 202.367 1.548 10 0 BDAERO Cc1cc(N2CC[C@@H]([NH3+])C2)cnc1Cl ZINC000000026491 178117503 /nfs/dbraw/zinc/11/75/03/178117503.db2.gz SDWSIXWUAINCRE-MRVPVSSYSA-N 1 0 211.696 1.581 10 0 BDAERO CN(Cc1ccccc1Cl)[C@H]1C[NH2+]C[C@@H]1O ZINC000082524453 136221613 /nfs/dbraw/zinc/22/16/13/136221613.db2.gz QWBMCKLHXDSKFI-RYUDHWBXSA-N 1 0 240.734 1.105 10 0 BDAERO Cc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)no1 ZINC000070502646 178145479 /nfs/dbraw/zinc/14/54/79/178145479.db2.gz ZWFWTILAZLTYIE-BDAKNGLRSA-N 1 0 223.276 1.439 10 0 BDAERO CC(C)[NH+]1CCC(n2nccc2N)CC1 ZINC000019689284 538927052 /nfs/dbraw/zinc/92/70/52/538927052.db2.gz DBLPYRLBAKYMIX-UHFFFAOYSA-N 1 0 208.309 1.511 10 0 BDAERO Cc1cc(NC(=O)[C@](C)([NH3+])c2ccccc2)no1 ZINC000052881013 178149107 /nfs/dbraw/zinc/14/91/07/178149107.db2.gz FKJDAKGCSAPDBL-CYBMUJFWSA-N 1 0 245.282 1.796 10 0 BDAERO Cc1cc(NCCC(N)=O)c2ccccc2[nH+]1 ZINC000036747450 178158690 /nfs/dbraw/zinc/15/86/90/178158690.db2.gz YDQLTVQLNYQIJL-UHFFFAOYSA-N 1 0 229.283 1.831 10 0 BDAERO Cc1cc(NCC[NH+]2CCN(C)CC2)ccc1N ZINC000037759551 178161173 /nfs/dbraw/zinc/16/11/73/178161173.db2.gz GUXDQVFKRCGSIN-UHFFFAOYSA-N 1 0 248.374 1.237 10 0 BDAERO CCC[C@H](C(=O)N1CCCCO1)[NH+](C)C ZINC000189580239 398224818 /nfs/dbraw/zinc/22/48/18/398224818.db2.gz KXOFKMIJYVJCSD-SNVBAGLBSA-N 1 0 214.309 1.271 10 0 BDAERO Cc1cc(N[C@@H]2CC[NH2+]C2)nc(C(C)C)n1 ZINC000052093784 178182864 /nfs/dbraw/zinc/18/28/64/178182864.db2.gz NFNKKBHXKJCWHE-SNVBAGLBSA-N 1 0 220.320 1.682 10 0 BDAERO CC(=O)Nc1ccc([C@H]2CCOCC[NH2+]2)cc1 ZINC000616660508 398223325 /nfs/dbraw/zinc/22/33/25/398223325.db2.gz SOJKZBCQIOLYID-CYBMUJFWSA-N 1 0 234.299 1.696 10 0 BDAERO Nc1ccc(SCC[NH+]2CCCC2)cn1 ZINC000037192594 361740340 /nfs/dbraw/zinc/74/03/40/361740340.db2.gz OTIUXPVROADTBJ-UHFFFAOYSA-N 1 0 223.345 1.852 10 0 BDAERO Cc1cc(Nc2ccc(C[NH3+])cc2)ncn1 ZINC000082642563 178191647 /nfs/dbraw/zinc/19/16/47/178191647.db2.gz IIOWJAKUQYOGGC-UHFFFAOYSA-N 1 0 214.272 1.987 10 0 BDAERO CCSCC[C@@H](O)[C@@](C)(CC)C[NH3+] ZINC000164109066 538931228 /nfs/dbraw/zinc/93/12/28/538931228.db2.gz SCDYNQIWLIRGLR-ZJUUUORDSA-N 1 0 205.367 1.866 10 0 BDAERO Cc1cc(SC[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000052311695 178218092 /nfs/dbraw/zinc/21/80/92/178218092.db2.gz MENBLAVKBCIUJH-JTQLQIEISA-N 1 0 225.361 1.820 10 0 BDAERO C[C@H]([NH3+])c1cnn(CCOC(C)(C)C)c1 ZINC000164535057 361774082 /nfs/dbraw/zinc/77/40/82/361774082.db2.gz KETDJNMUFZDNNQ-VIFPVBQESA-N 1 0 211.309 1.718 10 0 BDAERO Cc1cc([C@@H](C)[NH2+]CCn2cncn2)cs1 ZINC000294109960 178226138 /nfs/dbraw/zinc/22/61/38/178226138.db2.gz CVCZIXNTMUPWRQ-SNVBAGLBSA-N 1 0 236.344 1.999 10 0 BDAERO Cc1cc([C@@H]([NH2+]C(C)C)C(N)=O)ccc1F ZINC000050558900 178236945 /nfs/dbraw/zinc/23/69/45/178236945.db2.gz HDEQPEWCILUIAK-LLVKDONJSA-N 1 0 224.279 1.659 10 0 BDAERO Cc1cc([C@@H](O)CC[NH3+])c2ccccc2n1 ZINC000083300063 178237951 /nfs/dbraw/zinc/23/79/51/178237951.db2.gz BJWRAMJUWJBUEA-ZDUSSCGKSA-N 1 0 216.284 1.925 10 0 BDAERO Cc1cc([C@@](O)(C[NH3+])C(F)(F)F)c(C)n1C ZINC000050197519 178242105 /nfs/dbraw/zinc/24/21/05/178242105.db2.gz DIEVSLOTIDLTCF-VIFPVBQESA-N 1 0 236.237 1.351 10 0 BDAERO Cc1cc([C@@]2(C)C[C@@]2(C[NH3+])CO)c(C)o1 ZINC000070501122 178244303 /nfs/dbraw/zinc/24/43/03/178244303.db2.gz LDRSXVRLQNAALR-VXGBXAGGSA-N 1 0 209.289 1.495 10 0 BDAERO CCOC(=O)c1ccc(NC2=[NH+]CCN2)cc1 ZINC000165217223 538935349 /nfs/dbraw/zinc/93/53/49/538935349.db2.gz QSQQMERQUGHJSK-UHFFFAOYSA-N 1 0 233.271 1.234 10 0 BDAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)no1 ZINC000309606476 178250370 /nfs/dbraw/zinc/25/03/70/178250370.db2.gz YURUDOFGFJYJOF-XWLWVQCSSA-N 1 0 222.288 1.526 10 0 BDAERO Cc1cc2nc([C@H]([NH3+])[C@@H](C)O)[nH]c2cc1C ZINC000051847892 178304091 /nfs/dbraw/zinc/30/40/91/178304091.db2.gz QKYMAXPBPOHVMH-LDYMZIIASA-N 1 0 219.288 1.560 10 0 BDAERO Cc1cc2c(n1[C@@H](C)C(N)=O)CCC[C@H]2[NH3+] ZINC000041730882 178293316 /nfs/dbraw/zinc/29/33/16/178293316.db2.gz MRXIVALKEGLGLB-WCBMZHEXSA-N 1 0 221.304 1.179 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000168460000 538945168 /nfs/dbraw/zinc/94/51/68/538945168.db2.gz OZRWPIFZJKXHNA-OLZOCXBDSA-N 1 0 240.391 1.875 10 0 BDAERO OC[C@@H]1C[N@H+](CC/C=C\c2ccccc2)CCO1 ZINC000323024877 259309705 /nfs/dbraw/zinc/30/97/05/259309705.db2.gz ABQKTLFHIIASSC-UVCVVPOWSA-N 1 0 247.338 1.783 10 0 BDAERO Cc1ccc(-c2nc(C(C)(C)[NH3+])no2)o1 ZINC000041052826 178333274 /nfs/dbraw/zinc/33/32/74/178333274.db2.gz DPAGSQIVIXIFNL-UHFFFAOYSA-N 1 0 207.233 1.832 10 0 BDAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000381397072 398255194 /nfs/dbraw/zinc/25/51/94/398255194.db2.gz PDCKADIDPQGYBK-WUHRBBMRSA-N 1 0 226.364 1.341 10 0 BDAERO COC[C@]1(C)CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000381528902 398262100 /nfs/dbraw/zinc/26/21/00/398262100.db2.gz ZXGLHRUZMZUHFM-MELADBBJSA-N 1 0 241.375 1.896 10 0 BDAERO CCCN(CC(F)F)C(=O)C[C@@H]([NH3+])C(C)C ZINC000386251260 398264044 /nfs/dbraw/zinc/26/40/44/398264044.db2.gz VVAOATZWNQQWPL-SECBINFHSA-N 1 0 236.306 1.864 10 0 BDAERO CC(C)C[C@H]([NH3+])[C@H](O)C(=O)OC(C)(C)C ZINC000138852216 538949564 /nfs/dbraw/zinc/94/95/64/538949564.db2.gz QQTDLBZDUYMEBT-IUCAKERBSA-N 1 0 217.309 1.062 10 0 BDAERO Cc1ccc(C(=O)N(C)C(C)(C)C[NH3+])o1 ZINC000082641392 178375450 /nfs/dbraw/zinc/37/54/50/178375450.db2.gz PJBZZBJAAQTDAG-UHFFFAOYSA-N 1 0 210.277 1.397 10 0 BDAERO Cc1ccc(C(=O)N(C)C[C@@H](C)C[NH3+])cc1C ZINC000042455052 178377821 /nfs/dbraw/zinc/37/78/21/178377821.db2.gz MAGMHNYCEYHKGN-JTQLQIEISA-N 1 0 234.343 1.970 10 0 BDAERO Cc1ccc(C(=O)N2CCC[C@@H]2CCC[NH3+])o1 ZINC000104308338 178388802 /nfs/dbraw/zinc/38/88/02/178388802.db2.gz WJZKJEJDACMPAO-NSHDSACASA-N 1 0 236.315 1.932 10 0 BDAERO CCC(CC)N(CCO)C(=O)C[NH2+][C@@H](C)CC ZINC000042526215 168372744 /nfs/dbraw/zinc/37/27/44/168372744.db2.gz NPIVRGXXEJKLOC-NSHDSACASA-N 1 0 244.379 1.384 10 0 BDAERO c1ccc([C@H]2CCNC3=[NH+]CCN32)cc1 ZINC000141528557 538952692 /nfs/dbraw/zinc/95/26/92/538952692.db2.gz QCZVSTFZLSDXNY-LLVKDONJSA-N 1 0 201.273 1.393 10 0 BDAERO Cc1ccc(C(N)=[NH2+])c(N2CCCO[C@H](C)C2)n1 ZINC000061918944 178369062 /nfs/dbraw/zinc/36/90/62/178369062.db2.gz CSKTVVCSBFPKTN-SNVBAGLBSA-N 1 0 248.330 1.289 10 0 BDAERO CCC(CC)N(CCO)c1ncccc1C[NH3+] ZINC000042482742 168374751 /nfs/dbraw/zinc/37/47/51/168374751.db2.gz FOWYKDHPJYICOA-UHFFFAOYSA-N 1 0 237.347 1.528 10 0 BDAERO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)o1 ZINC000247127116 178398893 /nfs/dbraw/zinc/39/88/93/178398893.db2.gz JGFKPKOODODAJO-PWSUYJOCSA-N 1 0 248.326 1.897 10 0 BDAERO CC(C)[N@@H+]1CC[C@H](c2ccccc2C(N)=O)C1 ZINC000616612954 349589722 /nfs/dbraw/zinc/58/97/22/349589722.db2.gz DEDUOAMDOOPRLB-NSHDSACASA-N 1 0 232.327 1.983 10 0 BDAERO CN(c1cnnc(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000306651676 361856468 /nfs/dbraw/zinc/85/64/68/361856468.db2.gz FZRNKWHOPZTSIJ-QMMMGPOBSA-N 1 0 226.711 1.270 10 0 BDAERO O[C@H]1CC[NH2+]C[C@H]1Cc1sccc1Cl ZINC000306652993 361860786 /nfs/dbraw/zinc/86/07/86/361860786.db2.gz GSQZTNQDABTKDH-APPZFPTMSA-N 1 0 231.748 1.914 10 0 BDAERO Cn1cc(CC[NH+](C)C)c2cc(N)ccc21 ZINC000144375314 342730818 /nfs/dbraw/zinc/73/08/18/342730818.db2.gz VUSIYUMUHABVLU-UHFFFAOYSA-N 1 0 217.316 1.865 10 0 BDAERO Oc1ccc(OCC[NH+]2CCC(O)CC2)cc1 ZINC000144865579 342753743 /nfs/dbraw/zinc/75/37/43/342753743.db2.gz SNPTYCZYDICLQT-UHFFFAOYSA-N 1 0 237.299 1.228 10 0 BDAERO CC(C)(C)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000005383563 342763060 /nfs/dbraw/zinc/76/30/60/342763060.db2.gz JSACCGBDUCWKRF-JTQLQIEISA-N 1 0 210.321 1.243 10 0 BDAERO O=c1sccn1CC[C@@H]1CCCC[NH2+]1 ZINC000070914603 361881735 /nfs/dbraw/zinc/88/17/35/361881735.db2.gz VWGRRYLYACGNBB-VIFPVBQESA-N 1 0 212.318 1.442 10 0 BDAERO Clc1ccc2[nH+]cc(N3CCOCC3)n2c1 ZINC000006622625 342780039 /nfs/dbraw/zinc/78/00/39/342780039.db2.gz CYYZYHJKDNZRME-UHFFFAOYSA-N 1 0 237.690 1.824 10 0 BDAERO Cc1ccc([C@@H](C)[NH2+]CCC(N)=O)c(C)c1 ZINC000036746964 398287379 /nfs/dbraw/zinc/28/73/79/398287379.db2.gz HDFJUGKNFSAVLN-LLVKDONJSA-N 1 0 220.316 1.829 10 0 BDAERO CC[NH2+]Cc1ncc(Br)cn1 ZINC000070948899 361901541 /nfs/dbraw/zinc/90/15/41/361901541.db2.gz JDUSCUXVYWVNTO-UHFFFAOYSA-N 1 0 216.082 1.349 10 0 BDAERO Clc1ccnc(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000043220425 342790937 /nfs/dbraw/zinc/79/09/37/342790937.db2.gz VGHGMFUIGHHBSP-MRVPVSSYSA-N 1 0 226.711 1.542 10 0 BDAERO COc1cc2c(c(OC)c1OC)CC[N+](C)=C2 ZINC000008535780 342799983 /nfs/dbraw/zinc/79/99/83/342799983.db2.gz OYXGKRACNSHSKR-UHFFFAOYSA-N 1 0 236.291 1.330 10 0 BDAERO O=C(Nc1ccsc1)[C@H]1CSCC[NH2+]1 ZINC000126985698 342809937 /nfs/dbraw/zinc/80/99/37/342809937.db2.gz CCSNMWPLKWNFHL-MRVPVSSYSA-N 1 0 228.342 1.392 10 0 BDAERO Nc1cccnc1C[NH2+]Cc1ccccc1 ZINC000157640998 342810428 /nfs/dbraw/zinc/81/04/28/342810428.db2.gz YAHKAPBFLHCVPL-UHFFFAOYSA-N 1 0 213.284 1.954 10 0 BDAERO CO[C@@H]1C[NH2+][C@H](CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000040637390 538972294 /nfs/dbraw/zinc/97/22/94/538972294.db2.gz YDIZOGRZIKEOTM-RNJOBUHISA-N 1 0 226.364 1.341 10 0 BDAERO Cc1[nH+]ccc(N[C@@H]2CCOC[C@@H]2O)c1Cl ZINC000624687903 342816544 /nfs/dbraw/zinc/81/65/44/342816544.db2.gz RCSPGKXETUQENB-SCZZXKLOSA-N 1 0 242.706 1.027 10 0 BDAERO C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000378683994 538973528 /nfs/dbraw/zinc/97/35/28/538973528.db2.gz ZWVNISCNQAUBLZ-FRRDWIJNSA-N 1 0 229.364 1.678 10 0 BDAERO Cn1ncc(Cl)c1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000378785585 538974081 /nfs/dbraw/zinc/97/40/81/538974081.db2.gz LCIRBBXAFQDSGT-DTWKUNHWSA-N 1 0 243.738 1.467 10 0 BDAERO C[NH2+][C@]1(c2nc(C)c(C)s2)CCOC1 ZINC000070993124 361925807 /nfs/dbraw/zinc/92/58/07/361925807.db2.gz VZLNUBBLBFIGLZ-SNVBAGLBSA-N 1 0 212.318 1.595 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccon2)C1 ZINC000379913524 538981575 /nfs/dbraw/zinc/98/15/75/538981575.db2.gz AETPSYGRBGDEGM-KOLCDFICSA-N 1 0 209.293 1.104 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCO1 ZINC000379948988 538982121 /nfs/dbraw/zinc/98/21/21/538982121.db2.gz DPESSMZAKXYTHP-BJDJZHNGSA-N 1 0 213.321 1.305 10 0 BDAERO [NH3+]C[C@H]1CCCCN(C(=O)CC2CC2)C1 ZINC000380001272 538983596 /nfs/dbraw/zinc/98/35/96/538983596.db2.gz KAEJVBSPZXBKGA-LLVKDONJSA-N 1 0 210.321 1.374 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1F ZINC000381585899 539004077 /nfs/dbraw/zinc/00/40/77/539004077.db2.gz CTNSYAFUPFXOKD-LLVKDONJSA-N 1 0 222.263 1.112 10 0 BDAERO C[C@H]1C[C@@H](NC(=[NH2+])NCc2ccccc2)CO1 ZINC000401524617 342835878 /nfs/dbraw/zinc/83/58/78/342835878.db2.gz SQQGXYJYLICLMM-CMPLNLGQSA-N 1 0 233.315 1.478 10 0 BDAERO CC(C)n1ccnc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000335625430 136240854 /nfs/dbraw/zinc/24/08/54/136240854.db2.gz VVCWFHLLZCPKAK-QWHCGFSZSA-N 1 0 248.374 1.648 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CN(CC)CCO1 ZINC000381362697 538999294 /nfs/dbraw/zinc/99/92/94/538999294.db2.gz FZTBUTXFNHBTGS-FRRDWIJNSA-N 1 0 226.364 1.485 10 0 BDAERO C[C@@H](c1ccccc1)[C@@H]1[NH2+]CCCNC1=O ZINC000107089345 539020019 /nfs/dbraw/zinc/02/00/19/539020019.db2.gz HWBWWTDWIJHTFZ-JQWIXIFHSA-N 1 0 218.300 1.268 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCc2nccn2C1)C1CC1 ZINC000390775113 539027385 /nfs/dbraw/zinc/02/73/85/539027385.db2.gz ZTTOISWHTFYDKX-NEPJUHHUSA-N 1 0 219.332 1.976 10 0 BDAERO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037000982 398298420 /nfs/dbraw/zinc/29/84/20/398298420.db2.gz HZMMJRRINMYNBX-CHWSQXEVSA-N 1 0 248.326 1.179 10 0 BDAERO C[C@@H]1CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C(=O)[O-] ZINC000062443543 539016407 /nfs/dbraw/zinc/01/64/07/539016407.db2.gz RHTXWSJDUXBUAW-AEJSXWLSSA-N 1 0 214.309 1.051 10 0 BDAERO C[C@H](C[NH3+])c1nc([C@H]2CCOC2)cs1 ZINC000164981866 342863118 /nfs/dbraw/zinc/86/31/18/342863118.db2.gz NAUPYHAJXMFHCE-SFYZADRCSA-N 1 0 212.318 1.709 10 0 BDAERO [NH3+][C@H]1COC[C@@H]1C(=O)c1sccc1Cl ZINC000229957826 342860124 /nfs/dbraw/zinc/86/01/24/342860124.db2.gz KIDHMDRVKHLJDW-FSPLSTOPSA-N 1 0 231.704 1.558 10 0 BDAERO [NH3+][C@H]1COC[C@H]1C(=O)c1sccc1Cl ZINC000229957837 342860289 /nfs/dbraw/zinc/86/02/89/342860289.db2.gz KIDHMDRVKHLJDW-VDTYLAMSSA-N 1 0 231.704 1.558 10 0 BDAERO CC(C)n1nnnc1C[NH2+][C@H]1CSC[C@H]1C ZINC000309776774 342895514 /nfs/dbraw/zinc/89/55/14/342895514.db2.gz PYOMCMYRZPCGRK-BDAKNGLRSA-N 1 0 241.364 1.095 10 0 BDAERO C[C@@H]1CC[C@@]2(CO1)[NH2+]C(C)(C)CS2 ZINC000401664928 342896898 /nfs/dbraw/zinc/89/68/98/342896898.db2.gz NQKUYODWAXOAQR-PSASIEDQSA-N 1 0 201.335 1.997 10 0 BDAERO COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000309633908 398319105 /nfs/dbraw/zinc/31/91/05/398319105.db2.gz ISFNUFZFRAROKQ-AVGNSLFASA-N 1 0 229.364 1.798 10 0 BDAERO CSCc1noc([C@H]2CSC[C@H]2[NH3+])n1 ZINC000134805596 342892626 /nfs/dbraw/zinc/89/26/26/342892626.db2.gz NWMLRPXURADDLB-NTSWFWBYSA-N 1 0 231.346 1.090 10 0 BDAERO CCCCC[N@@H+]1CCC(O)=C(C(=O)OC)C1 ZINC000058444208 398324603 /nfs/dbraw/zinc/32/46/03/398324603.db2.gz RCWOKLFDBSTNOY-JTQLQIEISA-N 1 0 227.304 1.241 10 0 BDAERO CS[C@H]1C[NH2+]C[C@H]1N1CCC(C)(C)C1 ZINC000134902684 342921416 /nfs/dbraw/zinc/92/14/16/342921416.db2.gz ZPQQRYHCXCQIBZ-ZJUUUORDSA-N 1 0 214.378 1.422 10 0 BDAERO COCCC(C)(C)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000234595186 342930340 /nfs/dbraw/zinc/93/03/40/342930340.db2.gz FMRLJUNXNOJLEX-QWRGUYRKSA-N 1 0 242.363 1.293 10 0 BDAERO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1cccs1 ZINC000037476266 398327569 /nfs/dbraw/zinc/32/75/69/398327569.db2.gz LRKBIUVCHRRBKY-YUMQZZPRSA-N 1 0 212.318 1.663 10 0 BDAERO CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000392928115 398336278 /nfs/dbraw/zinc/33/62/78/398336278.db2.gz RRTOUTGSHRSVSK-MXWKQRLJSA-N 1 0 213.321 1.447 10 0 BDAERO CC1(C)[C@H]([NH2+]CCc2cn[nH]c2)[C@H]2CCO[C@@H]21 ZINC000353614527 398337979 /nfs/dbraw/zinc/33/79/79/398337979.db2.gz XWTRBBAJMYNFIA-UTUOFQBUSA-N 1 0 235.331 1.355 10 0 BDAERO CC[C@H]1CN(C(=O)C2CCC([NH3+])CC2)CCO1 ZINC000037626287 398333310 /nfs/dbraw/zinc/33/33/10/398333310.db2.gz WBOMIPUPRLINJH-MCIGGMRASA-N 1 0 240.347 1.141 10 0 BDAERO Cc1ccc2c(c1)[C@@H]1C[NH2+]CCN1CC2 ZINC000019788454 342957797 /nfs/dbraw/zinc/95/77/97/342957797.db2.gz FDXPQWZCSJTZGR-ZDUSSCGKSA-N 1 0 202.301 1.497 10 0 BDAERO O=C(Cc1nccs1)[C@H]1CCC[NH2+]C1 ZINC000167718484 346904338 /nfs/dbraw/zinc/90/43/38/346904338.db2.gz OLJZIBFFONTTEG-QMMMGPOBSA-N 1 0 210.302 1.254 10 0 BDAERO Cc1ccc(C)c(N2CC[C@H]([NH3+])C2=O)c1 ZINC000049647121 178479946 /nfs/dbraw/zinc/47/99/46/178479946.db2.gz MUHOVDHGYOQJPQ-JTQLQIEISA-N 1 0 204.273 1.367 10 0 BDAERO [NH3+][C@@H](c1ccccc1)[C@H](O)C(F)(F)F ZINC000020281459 342980408 /nfs/dbraw/zinc/98/04/08/342980408.db2.gz GFSZBXASMXIZSV-YUMQZZPRSA-N 1 0 205.179 1.610 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000308797064 346913458 /nfs/dbraw/zinc/91/34/58/346913458.db2.gz KTMKUEHMDKEYND-GMTAPVOTSA-N 1 0 215.337 1.287 10 0 BDAERO CCC([NH3+])(CC)CNc1ncnc2nc[nH]c21 ZINC000130078040 168417294 /nfs/dbraw/zinc/41/72/94/168417294.db2.gz JKWDZMDCNTWEMQ-UHFFFAOYSA-N 1 0 234.307 1.282 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccon1 ZINC000176978415 346920336 /nfs/dbraw/zinc/92/03/36/346920336.db2.gz VNUZCNVKHKBZER-SNVBAGLBSA-N 1 0 237.303 1.231 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccnc1 ZINC000177016071 346920924 /nfs/dbraw/zinc/92/09/24/346920924.db2.gz LJKSEWXFICICFM-ZDUSSCGKSA-N 1 0 247.342 1.638 10 0 BDAERO C[C@@]1(C[NH3+])CCN(c2ncnc3ccccc32)C1 ZINC000235416858 343031963 /nfs/dbraw/zinc/03/19/63/343031963.db2.gz XQLCAUFJJULFAH-AWEZNQCLSA-N 1 0 242.326 1.805 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnccn1 ZINC000177016360 346920888 /nfs/dbraw/zinc/92/08/88/346920888.db2.gz YWLZXRQBZRLHQU-NSHDSACASA-N 1 0 248.330 1.033 10 0 BDAERO [NH3+]CC(=O)Cc1ccc(Br)s1 ZINC000167743250 346922106 /nfs/dbraw/zinc/92/21/06/346922106.db2.gz VATZWHIFKVZJFV-UHFFFAOYSA-N 1 0 234.118 1.581 10 0 BDAERO [NH3+][C@@H]1CCOC[C@@H]1OCc1ccccc1 ZINC000038136695 259344415 /nfs/dbraw/zinc/34/44/15/259344415.db2.gz VFZHBGRHGFTYGZ-NEPJUHHUSA-N 1 0 207.273 1.319 10 0 BDAERO [NH3+]CC(=O)Cc1ccnc2ccccc12 ZINC000167750793 346924071 /nfs/dbraw/zinc/92/40/71/346924071.db2.gz RKQOKOIKLUMNCN-UHFFFAOYSA-N 1 0 200.241 1.305 10 0 BDAERO [NH3+]C1CC(Oc2nc(Cl)cs2)C1 ZINC000165389986 343073716 /nfs/dbraw/zinc/07/37/16/343073716.db2.gz FQTUOXKORJRMES-UHFFFAOYSA-N 1 0 204.682 1.665 10 0 BDAERO C[NH+](C)C(C)(C)CNC1N=NC(=S)S1 ZINC000043411954 343066418 /nfs/dbraw/zinc/06/64/18/343066418.db2.gz HUXZPFHSLDXQHN-UHFFFAOYSA-N 1 0 232.378 1.579 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1F ZINC000072201030 343069545 /nfs/dbraw/zinc/06/95/45/343069545.db2.gz VTABJHFRRLQOTQ-QMMMGPOBSA-N 1 0 222.185 1.803 10 0 BDAERO Cc1nnsc1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000394709774 349792500 /nfs/dbraw/zinc/79/25/00/349792500.db2.gz RLBXRCOQBBFDDA-DTWKUNHWSA-N 1 0 227.333 1.240 10 0 BDAERO O=C(C[C@@H]1CCCCC1(F)F)C1C[NH2+]C1 ZINC000306665140 362022672 /nfs/dbraw/zinc/02/26/72/362022672.db2.gz STYFHPHRCLFYRF-VIFPVBQESA-N 1 0 217.259 1.991 10 0 BDAERO CC[C@](O)(C[C@H](O)C[NH2+]C(C)C)C1CC1 ZINC000584882953 343085594 /nfs/dbraw/zinc/08/55/94/343085594.db2.gz BKHULMAIMCSAIA-RYUDHWBXSA-N 1 0 215.337 1.287 10 0 BDAERO CC(C)(C)OC(=O)N[C@@H]1C[NH2+][C@H](C2CC2)C1 ZINC000584882982 343085846 /nfs/dbraw/zinc/08/58/46/343085846.db2.gz CLUPJWQLOYDJFK-UWVGGRQHSA-N 1 0 226.320 1.652 10 0 BDAERO CC[NH2+]C[C@H](O)C[C@@](O)(CC)C(C)C ZINC000584882978 343086007 /nfs/dbraw/zinc/08/60/07/343086007.db2.gz CKNPOOMJVHCIES-MNOVXSKESA-N 1 0 203.326 1.144 10 0 BDAERO CC[C@H](C)[C@](C)(O)C[C@@H](O)C[NH2+]C(C)C ZINC000584883299 343086245 /nfs/dbraw/zinc/08/62/45/343086245.db2.gz LSBSGLVOZXDEPF-QJPTWQEYSA-N 1 0 217.353 1.533 10 0 BDAERO CC(C)SCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000576863445 365707187 /nfs/dbraw/zinc/70/71/87/365707187.db2.gz IXISHCVUVNATGU-HBNTYKKESA-N 1 0 242.388 1.324 10 0 BDAERO CN(Cc1cscn1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000042867630 362034262 /nfs/dbraw/zinc/03/42/62/362034262.db2.gz REDBFAWIGYFOEE-VHSXEESVSA-N 1 0 211.334 1.455 10 0 BDAERO Fc1ccc2c(c1)C[C@H](C[C@H]1C[NH+]=CN1)C2 ZINC000013537162 343091948 /nfs/dbraw/zinc/09/19/48/343091948.db2.gz HBMJQYDGBNSZMC-RNCFNFMXSA-N 1 0 218.275 1.931 10 0 in-vivo BDAERO C[C@H](Cc1ccco1)NC1=[NH+]CCS1 ZINC000042592082 362012147 /nfs/dbraw/zinc/01/21/47/362012147.db2.gz WJYRKUWNTMHUKH-MRVPVSSYSA-N 1 0 210.302 1.903 10 0 BDAERO COc1c2c(c(CC[NH3+])c3c1OCC3)CCO2 ZINC000013606278 343096396 /nfs/dbraw/zinc/09/63/96/343096396.db2.gz NZPLNCQAEYLYII-UHFFFAOYSA-N 1 0 235.283 1.066 10 0 BDAERO Nc1cccnc1SC1CC[NH2+]CC1 ZINC000043501310 343098562 /nfs/dbraw/zinc/09/85/62/343098562.db2.gz ZXLYXAUXTJATNI-UHFFFAOYSA-N 1 0 209.318 1.508 10 0 BDAERO Cc1nn(C[C@H](C)[NH3+])c2cc(O)ccc12 ZINC000013919125 343108006 /nfs/dbraw/zinc/10/80/06/343108006.db2.gz OWSQIPLPGUOLGH-ZETCQYMHSA-N 1 0 205.261 1.398 10 0 BDAERO Cc1ccc(C)c(S(=O)(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000071549644 178492990 /nfs/dbraw/zinc/49/29/90/178492990.db2.gz VTJZYJNONYWCHK-LLVKDONJSA-N 1 0 239.340 1.439 10 0 BDAERO C[NH2+][C@H]1CCCN([C@H](C)c2nccs2)C1 ZINC000070735279 343148288 /nfs/dbraw/zinc/14/82/88/343148288.db2.gz UCPBNLBEFASHNY-ZJUUUORDSA-N 1 0 225.361 1.888 10 0 BDAERO Oc1ccc(CC[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000165161910 343138311 /nfs/dbraw/zinc/13/83/11/343138311.db2.gz YCIVAWHIAKUWTH-UONOGXRCSA-N 1 0 235.327 1.828 10 0 BDAERO C[C@]1(C(=O)N[C@@H]2CC=CCC2)CCCC[NH2+]1 ZINC000127531754 343178344 /nfs/dbraw/zinc/17/83/44/343178344.db2.gz JOYXVWSDKJATFX-DGCLKSJQSA-N 1 0 222.332 1.744 10 0 BDAERO c1c[nH]c(-c2noc(C[C@H]3CCC[NH2+]C3)n2)n1 ZINC000094937352 343153991 /nfs/dbraw/zinc/15/39/91/343153991.db2.gz RDPLVEQDGOVGLW-MRVPVSSYSA-N 1 0 233.275 1.002 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1c1ccc2nccnc2n1 ZINC000094726307 343156554 /nfs/dbraw/zinc/15/65/54/343156554.db2.gz ZBQIYPWSMSUUIH-JTQLQIEISA-N 1 0 243.314 1.342 10 0 BDAERO CC1CC(NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000123447605 343162025 /nfs/dbraw/zinc/16/20/25/343162025.db2.gz YUTCIDISJCEQQA-YVNMAJEFSA-N 1 0 210.321 1.291 10 0 BDAERO C[C@@H]1CCO[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000124957408 343165168 /nfs/dbraw/zinc/16/51/68/343165168.db2.gz QJCWIRDZXDQIHA-BDAKNGLRSA-N 1 0 237.303 1.895 10 0 BDAERO C[C@H](C[NH3+])N(C)C(=O)c1ccc(N(C)C)cc1 ZINC000123744399 343165973 /nfs/dbraw/zinc/16/59/73/343165973.db2.gz IVILBTBJWSNAJY-SNVBAGLBSA-N 1 0 235.331 1.172 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)C1CCC(F)(F)CC1 ZINC000127115521 343171846 /nfs/dbraw/zinc/17/18/46/343171846.db2.gz YILQNVNHNUFSEH-MRVPVSSYSA-N 1 0 234.290 1.665 10 0 BDAERO CC(C)c1nsc(N2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000127013176 343172160 /nfs/dbraw/zinc/17/21/60/343172160.db2.gz YUMYAISGTCRESF-DTWKUNHWSA-N 1 0 240.376 1.835 10 0 BDAERO CC(C)Oc1cncc(N(C)[C@H](C)C[NH3+])n1 ZINC000125511932 343173676 /nfs/dbraw/zinc/17/36/76/343173676.db2.gz ONWSWAFEGWPCES-SECBINFHSA-N 1 0 224.308 1.047 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)CCSC ZINC000156806439 343198701 /nfs/dbraw/zinc/19/87/01/343198701.db2.gz PJCRLSAXSSFXMY-DTWKUNHWSA-N 1 0 218.366 1.194 10 0 BDAERO Cc1nnc(N[C@H](C)C[C@H](C)[NH3+])nc1C ZINC000159040032 343201272 /nfs/dbraw/zinc/20/12/72/343201272.db2.gz UWCJWZHHGXVVIN-NKWVEPMBSA-N 1 0 209.297 1.026 10 0 BDAERO Cc1nsc(N[C@H](C)C[C@H](C)[NH3+])n1 ZINC000165733823 343212344 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CC(=O)CC[N@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000086930472 343632791 /nfs/dbraw/zinc/63/27/91/343632791.db2.gz WFONAZISYBWJAG-DGCLKSJQSA-N 1 0 224.348 1.524 10 0 BDAERO C[C@@H]1CC[C@@H]([C@H]2CCNc3[nH+]ccn32)O1 ZINC000300025964 537801460 /nfs/dbraw/zinc/80/14/60/537801460.db2.gz IMMUCPZINQCNFT-BBBLOLIVSA-N 1 0 207.277 1.807 10 0 BDAERO C[C@@H]1CC[C@H]([C@H]2CCn3cc[nH+]c3N2)O1 ZINC000300033275 537802301 /nfs/dbraw/zinc/80/23/01/537802301.db2.gz XAWPONVXJYBTFW-OPRDCNLKSA-N 1 0 207.277 1.635 10 0 BDAERO COC[C@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000088000586 343688786 /nfs/dbraw/zinc/68/87/86/343688786.db2.gz AZHKZNFSJNANNM-ZETCQYMHSA-N 1 0 225.679 1.863 10 0 BDAERO C[C@H]1C[N@H+](C[Si](C)(C)C)[C@@H](C)CN1 ZINC000401835233 343735846 /nfs/dbraw/zinc/73/58/46/343735846.db2.gz DQCXPGCHMPRRHN-UWVGGRQHSA-N 1 0 200.402 1.546 10 0 BDAERO C[C@@H]1COC[C@H](CC(=O)c2cncs2)[NH2+]1 ZINC000124442804 537808703 /nfs/dbraw/zinc/80/87/03/537808703.db2.gz IWAQESFQLTZCCP-SFYZADRCSA-N 1 0 226.301 1.093 10 0 BDAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000127728810 343743903 /nfs/dbraw/zinc/74/39/03/343743903.db2.gz YBYBFPYCSYPXKP-KGLIPLIRSA-N 1 0 239.359 1.984 10 0 BDAERO CN(c1ccccc1N)C1CC[NH+](C)CC1 ZINC000022220485 343777280 /nfs/dbraw/zinc/77/72/80/343777280.db2.gz JLDGHFCVNLGMOW-UHFFFAOYSA-N 1 0 219.332 1.799 10 0 BDAERO CCc1ccc(Cn2cc(C[NH3+])nn2)cc1 ZINC000050224528 343782757 /nfs/dbraw/zinc/78/27/57/343782757.db2.gz MMKQXCXJQOEELH-UHFFFAOYSA-N 1 0 216.288 1.348 10 0 BDAERO C(c1nc(C2CC2)no1)[C@H]1CCCC[NH2+]1 ZINC000096868922 343785056 /nfs/dbraw/zinc/78/50/56/343785056.db2.gz LJYJYEDXQBMKCX-SECBINFHSA-N 1 0 207.277 1.632 10 0 BDAERO CC1(C)COc2ccc(C[NH3+])cc2OC1 ZINC000108379089 343786103 /nfs/dbraw/zinc/78/61/03/343786103.db2.gz FXWUXNBMDQHHLL-UHFFFAOYSA-N 1 0 207.273 1.943 10 0 BDAERO [NH3+]C[C@]1(F)CCN(Cc2ccccc2)C1 ZINC000108319931 343786110 /nfs/dbraw/zinc/78/61/10/343786110.db2.gz WQBXDWCSXGTIBZ-GFCCVEGCSA-N 1 0 208.280 1.559 10 0 BDAERO CCOC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000313224033 343791068 /nfs/dbraw/zinc/79/10/68/343791068.db2.gz DGUYSZIOKZDDTF-RYUDHWBXSA-N 1 0 240.347 1.156 10 0 BDAERO CC(C)c1ccc([C@H]2C[NH2+]C[C@H]2N)cc1 ZINC000220990711 343792993 /nfs/dbraw/zinc/79/29/93/343792993.db2.gz BKZHCYURBXZCMY-CHWSQXEVSA-N 1 0 204.317 1.824 10 0 BDAERO CCOC1(C(F)(F)F)CC[NH+](CCO)CC1 ZINC000409426710 343798488 /nfs/dbraw/zinc/79/84/88/343798488.db2.gz CVPDKXNDERCPLU-UHFFFAOYSA-N 1 0 241.253 1.412 10 0 BDAERO CCN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000409426936 343799398 /nfs/dbraw/zinc/79/93/98/343799398.db2.gz DFNZYNPHFNQJLH-MNOVXSKESA-N 1 0 242.388 1.340 10 0 BDAERO CCN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000409426938 343799717 /nfs/dbraw/zinc/79/97/17/343799717.db2.gz DFNZYNPHFNQJLH-WDEREUQCSA-N 1 0 242.388 1.340 10 0 BDAERO CC(C)CCn1nc2c(cc1=O)C[C@@H]([NH3+])CC2 ZINC000409422938 343814343 /nfs/dbraw/zinc/81/43/43/343814343.db2.gz MYFJHGMDUDLEGQ-NSHDSACASA-N 1 0 235.331 1.105 10 0 BDAERO O=C(CC1CC[NH2+]CC1)N1CCC[C@@H](F)C1 ZINC000409422977 343814446 /nfs/dbraw/zinc/81/44/46/343814446.db2.gz KJMAYCGUCSULNY-LLVKDONJSA-N 1 0 228.311 1.337 10 0 BDAERO Cc1nc([C@@H]2C[NH2+]C[C@H]2c2ccccn2)no1 ZINC000409424072 343816889 /nfs/dbraw/zinc/81/68/89/343816889.db2.gz SXBBLFRKMLHZFF-NXEZZACHSA-N 1 0 230.271 1.244 10 0 BDAERO CCc1nc2cccnc2n1C1C[NH2+]C1 ZINC000409424240 343817225 /nfs/dbraw/zinc/81/72/25/343817225.db2.gz XTUGDXAGTHMPGM-UHFFFAOYSA-N 1 0 202.261 1.138 10 0 BDAERO [NH3+]C[C@H]1CN(Cc2ccccc2)C(=O)C1(F)F ZINC000409432906 343827891 /nfs/dbraw/zinc/82/78/91/343827891.db2.gz PLGCAHPUBXGWDK-JTQLQIEISA-N 1 0 240.253 1.239 10 0 BDAERO O=C([C@@H]1CC[NH2+]C1)N(C1CC1)[C@H]1CCSC1 ZINC000409431768 343822981 /nfs/dbraw/zinc/82/29/81/343822981.db2.gz KJKWFVARMZAIRO-KOLCDFICSA-N 1 0 240.372 1.092 10 0 BDAERO CCCCN(CC)c1cc(OCC[NH3+])ncn1 ZINC000409429125 343804617 /nfs/dbraw/zinc/80/46/17/343804617.db2.gz CAINBCNMMLKJDV-UHFFFAOYSA-N 1 0 238.335 1.441 10 0 BDAERO Cc1ccc([C@@H](C[NH3+])c2ccccc2)nn1 ZINC000409429297 343805176 /nfs/dbraw/zinc/80/51/76/343805176.db2.gz IYSKLLGKZMVSKL-LBPRGKRZSA-N 1 0 213.284 1.876 10 0 BDAERO CC(F)(F)[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000409430258 343807772 /nfs/dbraw/zinc/80/77/72/343807772.db2.gz QFRQNCUUQWNVBJ-VHSXEESVSA-N 1 0 246.301 1.490 10 0 BDAERO C[NH2+]Cc1c(C2CCOCC2)n[nH]c1C1CC1 ZINC000409439907 343853504 /nfs/dbraw/zinc/85/35/04/343853504.db2.gz KQYMTPLSHKADSR-UHFFFAOYSA-N 1 0 235.331 1.901 10 0 BDAERO CCn1nc([C@@H]2CCC[NH2+]C2)c2c1CCC2 ZINC000409441134 343855308 /nfs/dbraw/zinc/85/53/08/343855308.db2.gz WQXYMLFSQFTMGP-SNVBAGLBSA-N 1 0 219.332 1.859 10 0 BDAERO CC[C@H]1C[C@@H](C[NH2+][C@@H]2CCO[C@@H]2C)CCO1 ZINC000381975419 346997885 /nfs/dbraw/zinc/99/78/85/346997885.db2.gz ABZCBMFPFOEOAU-MROQNXINSA-N 1 0 227.348 1.959 10 0 BDAERO FC1(F)CC2(C[NH2+]C2)Oc2ccccc21 ZINC000409433932 343831015 /nfs/dbraw/zinc/83/10/15/343831015.db2.gz USTFNLYKHWJFFP-UHFFFAOYSA-N 1 0 211.211 1.903 10 0 BDAERO [NH3+]CCc1nc(C2(n3cccc3)CCCC2)no1 ZINC000409437577 343840686 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537899508 /nfs/dbraw/zinc/89/95/08/537899508.db2.gz VACAHWIVHIBLEZ-NXEZZACHSA-N 1 0 202.257 1.189 10 0 BDAERO Cc1ccc([C@H](C[NH3+])n2ccnc2)cc1 ZINC000042906725 178905214 /nfs/dbraw/zinc/90/52/14/178905214.db2.gz SZPPFDDXWPDDFR-LBPRGKRZSA-N 1 0 201.273 1.740 10 0 BDAERO C1CC1c1nsc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000213617407 345740990 /nfs/dbraw/zinc/74/09/90/345740990.db2.gz HZSBCDNXVPHTTR-BDAKNGLRSA-N 1 0 236.344 1.214 10 0 BDAERO CC(C)[NH2+][C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000222835054 345748228 /nfs/dbraw/zinc/74/82/28/345748228.db2.gz XMPZSPSVBBZTPL-ZDUSSCGKSA-N 1 0 232.327 1.786 10 0 BDAERO [NH3+][C@@H](CO)c1ccc(OC2CCC2)nc1 ZINC000206176006 345757887 /nfs/dbraw/zinc/75/78/87/345757887.db2.gz GRUYYPVEOHVIQK-JTQLQIEISA-N 1 0 208.261 1.005 10 0 BDAERO CCO[C@H]1C[NH2+]C[C@H](Oc2ccccc2)C1 ZINC000136433664 345814022 /nfs/dbraw/zinc/81/40/22/345814022.db2.gz YYLSEMWMLWYJPP-CHWSQXEVSA-N 1 0 221.300 1.832 10 0 BDAERO CN(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638982 345785792 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MLCJZWDUMPWVLO-DTORHVGOSA-N 1 0 206.280 1.429 10 0 BDAERO CC1CC(C(=O)NC2(C[NH3+])CCCC2)C1 ZINC000381487637 346037309 /nfs/dbraw/zinc/03/73/09/346037309.db2.gz VYSHKJSTUGDBQR-UHFFFAOYSA-N 1 0 210.321 1.420 10 0 BDAERO Cc1ccc2nc(CN3CCC[NH2+]CC3)oc2c1 ZINC000061145773 178975786 /nfs/dbraw/zinc/97/57/86/178975786.db2.gz ATOZHDCJCBQXAY-UHFFFAOYSA-N 1 0 245.326 1.932 10 0 BDAERO Cn1c2ccccc2nc1CC[C@H]1CO1 ZINC000148382936 346080379 /nfs/dbraw/zinc/08/03/79/346080379.db2.gz NGRSDHCQCBYVLW-VIFPVBQESA-N 1 0 202.257 1.905 10 0 BDAERO Cc1ccc2nnc([C@@H](C[NH3+])C(C)C)n2n1 ZINC000083602713 178986545 /nfs/dbraw/zinc/98/65/45/178986545.db2.gz SMRDOKICZMJILV-VIFPVBQESA-N 1 0 219.292 1.131 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]C1CCOCC1 ZINC000153823241 537943965 /nfs/dbraw/zinc/94/39/65/537943965.db2.gz BEIIVTSJJRKXEA-CMPLNLGQSA-N 1 0 213.321 1.306 10 0 BDAERO COc1c(Cl)nc[nH+]c1NN(C)C ZINC000149620475 346132871 /nfs/dbraw/zinc/13/28/71/346132871.db2.gz NQPHWQKMIZYHFH-UHFFFAOYSA-N 1 0 202.645 1.027 10 0 BDAERO COc1cccc([C@H](CO)[NH2+]CC2CC2)c1 ZINC000038125087 346177025 /nfs/dbraw/zinc/17/70/25/346177025.db2.gz ZPHOVCBGXFBEKC-ZDUSSCGKSA-N 1 0 221.300 1.728 10 0 BDAERO C[C@H]1C[NH2+]C[C@H]1n1cnc(Br)c1 ZINC000669375184 537952716 /nfs/dbraw/zinc/95/27/16/537952716.db2.gz USRQDYKXAVUURU-NKWVEPMBSA-N 1 0 230.109 1.426 10 0 BDAERO Cc1cccc(-n2cncc2CC[NH3+])c1 ZINC000076638185 179001023 /nfs/dbraw/zinc/00/10/23/179001023.db2.gz IOWFQMWAYGWGIK-UHFFFAOYSA-N 1 0 201.273 1.682 10 0 BDAERO [NH3+]CC1(c2cccc(F)c2F)OCCO1 ZINC000236174214 346205019 /nfs/dbraw/zinc/20/50/19/346205019.db2.gz VKYCCDQRMMGHQL-UHFFFAOYSA-N 1 0 215.199 1.123 10 0 BDAERO [NH3+]CC1(c2nc3nccnc3s2)CC1 ZINC000236196645 346206455 /nfs/dbraw/zinc/20/64/55/346206455.db2.gz ANSOPIGQTVLCKW-UHFFFAOYSA-N 1 0 206.274 1.077 10 0 BDAERO C[N@H+](CC1(O)CCCC1)[C@H]1CCC(=O)C1 ZINC000167183176 346208258 /nfs/dbraw/zinc/20/82/58/346208258.db2.gz OGUKRGQIUHXEAI-JTQLQIEISA-N 1 0 211.305 1.345 10 0 BDAERO CC[C@@H](C(N)=S)[N@@H+]1CCCO[C@H](C)C1 ZINC000061918550 346179825 /nfs/dbraw/zinc/17/98/25/346179825.db2.gz MEVZMIJYMCYNBN-BDAKNGLRSA-N 1 0 216.350 1.162 10 0 BDAERO [NH3+]Cc1ncccc1Sc1ncco1 ZINC000236242417 346213468 /nfs/dbraw/zinc/21/34/68/346213468.db2.gz ZCBRNNIPLLHWDK-UHFFFAOYSA-N 1 0 207.258 1.680 10 0 BDAERO Cc1nc(N2CC([NH3+])C2)ccc1Br ZINC000235982349 346181575 /nfs/dbraw/zinc/18/15/75/346181575.db2.gz BVIRQOQFOQQGHR-UHFFFAOYSA-N 1 0 242.120 1.300 10 0 BDAERO CSc1cc(NN)[nH+]c(SC)n1 ZINC000034067075 346187167 /nfs/dbraw/zinc/18/71/67/346187167.db2.gz GQNHXMOXLZWFIT-UHFFFAOYSA-N 1 0 202.308 1.206 10 0 BDAERO Cc1cccc(-c2nnc(CC[NH3+])o2)c1F ZINC000083351086 178998452 /nfs/dbraw/zinc/99/84/52/178998452.db2.gz FFNSKGJUUKYIAL-UHFFFAOYSA-N 1 0 221.235 1.685 10 0 BDAERO COc1cc([C@@H](O)C[NH3+])ccc1Cl ZINC000034183940 346217227 /nfs/dbraw/zinc/21/72/27/346217227.db2.gz LBNVNODDDSSXCY-QMMMGPOBSA-N 1 0 201.653 1.341 10 0 BDAERO O[C@@H](Cc1cncs1)[C@H]1CCCC[NH2+]1 ZINC000236526267 346246801 /nfs/dbraw/zinc/24/68/01/346246801.db2.gz MELZBNQZQGDINI-ZJUUUORDSA-N 1 0 212.318 1.189 10 0 BDAERO Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000038048939 179024555 /nfs/dbraw/zinc/02/45/55/179024555.db2.gz CQWLXNZRHAXDKH-OLZOCXBDSA-N 1 0 232.327 1.995 10 0 BDAERO C[C@@H](C[NH3+])[C@H](O)c1cncc(Cl)c1 ZINC000669376983 537963641 /nfs/dbraw/zinc/96/36/41/537963641.db2.gz CUKDNAKLKFYBSW-RCOVLWMOSA-N 1 0 200.669 1.363 10 0 BDAERO C[C@@H](C[NH3+])[C@](C)(O)COCc1ccccc1 ZINC000669377588 537964848 /nfs/dbraw/zinc/96/48/48/537964848.db2.gz ULSKZTOGQCVRMH-WCQYABFASA-N 1 0 223.316 1.549 10 0 BDAERO CCO[C@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000148534292 346302215 /nfs/dbraw/zinc/30/22/15/346302215.db2.gz YIWVMHCEGJARCH-OLZOCXBDSA-N 1 0 220.316 1.235 10 0 BDAERO Cc1nc(CN2CC[C@@H]([NH+](C)C)C2)[nH]c1C ZINC000628278395 346288251 /nfs/dbraw/zinc/28/82/51/346288251.db2.gz OWKMRXKXZIUGJJ-LLVKDONJSA-N 1 0 222.336 1.162 10 0 BDAERO CC(C)[NH2+][C@H]1CCNC(=O)c2ccccc21 ZINC000669378357 537968379 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179098291 /nfs/dbraw/zinc/09/82/91/179098291.db2.gz UBAZWGNVESORPH-OLZOCXBDSA-N 1 0 220.316 1.783 10 0 BDAERO Cc1cccc(C[NH2+]C[C@@H]2CCCO2)n1 ZINC000037927438 179092471 /nfs/dbraw/zinc/09/24/71/179092471.db2.gz HMYMEJHWVQVGQD-LBPRGKRZSA-N 1 0 206.289 1.659 10 0 BDAERO Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)n1 ZINC000051575961 179101012 /nfs/dbraw/zinc/10/10/12/179101012.db2.gz UBAZWGNVESORPH-STQMWFEESA-N 1 0 220.316 1.783 10 0 BDAERO CC1(CCNC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000580094036 346520052 /nfs/dbraw/zinc/52/00/52/346520052.db2.gz LVVIIXGPVVBQSK-LLVKDONJSA-N 1 0 224.348 1.683 10 0 BDAERO Cc1cccc(C[C@@H](O)C[NH2+]C2CC2)c1 ZINC000071509551 179104194 /nfs/dbraw/zinc/10/41/94/179104194.db2.gz YOYHKCMVRDROBM-CYBMUJFWSA-N 1 0 205.301 1.650 10 0 BDAERO CC/C=C\CC[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000342253557 346557872 /nfs/dbraw/zinc/55/78/72/346557872.db2.gz VGKOEQDIHVEILY-GXMNPTEKSA-N 1 0 240.391 1.995 10 0 BDAERO Nc1ccc(C[NH3+])cc1-c1cncs1 ZINC000669380102 537983959 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/nfs/dbraw/zinc/44/68/78/347446878.db2.gz BELXQOIASNONEZ-NXEZZACHSA-N 1 0 212.337 1.618 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCOC(F)(F)F ZINC000396945093 362842488 /nfs/dbraw/zinc/84/24/88/362842488.db2.gz IPWZZFRMFDZTFK-NKWVEPMBSA-N 1 0 242.241 1.012 10 0 BDAERO O=[S@](c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000216456642 347492578 /nfs/dbraw/zinc/49/25/78/347492578.db2.gz VEISMPMROMGSDK-RTHLEPHNSA-N 1 0 229.732 1.810 10 0 BDAERO Cc1ccccc1C(=O)CN1CCC([NH3+])CC1 ZINC000050158305 179245630 /nfs/dbraw/zinc/24/56/30/179245630.db2.gz ZKNWCNPMXOPZQH-UHFFFAOYSA-N 1 0 232.327 1.601 10 0 BDAERO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCCC1 ZINC000616569062 347521602 /nfs/dbraw/zinc/52/16/02/347521602.db2.gz FZACUGNNOVIJKZ-JQWIXIFHSA-N 1 0 224.348 1.681 10 0 BDAERO N#CC(C#N)=C(c1ccccc1)N1CC[NH2+]CC1 ZINC000149812399 347523262 /nfs/dbraw/zinc/52/32/62/347523262.db2.gz VMHLVLPZGAMJGM-UHFFFAOYSA-N 1 0 238.294 1.350 10 0 BDAERO CC1([NH+]2CCOCC2)CCC2(CC1)OCCO2 ZINC000149967927 347577385 /nfs/dbraw/zinc/57/73/85/347577385.db2.gz YQHUMZDZRZZSNN-UHFFFAOYSA-N 1 0 241.331 1.394 10 0 BDAERO CC[C@H]([NH3+])[C@H](O)c1cccc(OC)c1OC ZINC000036779399 347578321 /nfs/dbraw/zinc/57/83/21/347578321.db2.gz UOZOTRXQQHBYMP-GXSJLCMTSA-N 1 0 225.288 1.475 10 0 BDAERO Cc1ccccc1CCC(=O)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063172073 179261531 /nfs/dbraw/zinc/26/15/31/179261531.db2.gz NBSLAAQDCZCEKG-UONOGXRCSA-N 1 0 246.354 1.924 10 0 BDAERO C=CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616569271 347643492 /nfs/dbraw/zinc/64/34/92/347643492.db2.gz HWNFYTKTWZTZOM-QWHCGFSZSA-N 1 0 230.311 1.434 10 0 BDAERO CCC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@H]1C[NH3+] ZINC000669380764 537991596 /nfs/dbraw/zinc/99/15/96/537991596.db2.gz WCLONIBXBWHQEU-SDDRHHMPSA-N 1 0 224.348 1.762 10 0 BDAERO Cc1ccc(F)c(N2C[C@H](C[NH3+])OC2=O)c1 ZINC000616569505 347696646 /nfs/dbraw/zinc/69/66/46/347696646.db2.gz VIUJBQCDTNRQBX-QMMMGPOBSA-N 1 0 224.235 1.418 10 0 BDAERO CSCC[C@@H]1COc2ccsc2C(=N)N1 ZINC000199803053 347766211 /nfs/dbraw/zinc/76/62/11/347766211.db2.gz GAHSBXTYYMNHGJ-SSDOTTSWSA-N 1 0 242.369 1.968 10 0 BDAERO CNc1nc(NC(C)C)nc(NC(C)C)[nH+]1 ZINC000196119723 347804727 /nfs/dbraw/zinc/80/47/27/347804727.db2.gz XDYIQYXGJBPMBN-UHFFFAOYSA-N 1 0 224.312 1.554 10 0 BDAERO Cc1ccccc1Cn1nnnc1C[NH2+]C(C)C ZINC000054746262 179294613 /nfs/dbraw/zinc/29/46/13/179294613.db2.gz CTUQMVRRJUCWQL-UHFFFAOYSA-N 1 0 245.330 1.528 10 0 BDAERO Cc1ccccc1N(CCC[NH3+])C(N)=O ZINC000034959861 179296274 /nfs/dbraw/zinc/29/62/74/179296274.db2.gz PZCGGWXKHWAPRR-UHFFFAOYSA-N 1 0 207.277 1.229 10 0 BDAERO Cc1ccccc1OCC[C@](C)(O)C[NH3+] ZINC000019668170 179312033 /nfs/dbraw/zinc/31/20/33/179312033.db2.gz SMMZPUSXYTYXKH-LBPRGKRZSA-N 1 0 209.289 1.474 10 0 BDAERO Cc1ccccc1O[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305805 179312434 /nfs/dbraw/zinc/31/24/34/179312434.db2.gz UCESSLPKYJWJSW-CMPLNLGQSA-N 1 0 207.273 1.490 10 0 BDAERO Cc1ccccc1[C@@H]([NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000043300024 179324660 /nfs/dbraw/zinc/32/46/60/179324660.db2.gz DHHADQPCRZGIDA-JQWIXIFHSA-N 1 0 239.340 1.430 10 0 BDAERO [NH3+][C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000036928900 347965308 /nfs/dbraw/zinc/96/53/08/347965308.db2.gz VWVFQMQRBTVFRK-QMMMGPOBSA-N 1 0 215.249 1.003 10 0 BDAERO CC[N@H+](C(C)C)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000037082138 348016687 /nfs/dbraw/zinc/01/66/87/348016687.db2.gz XUYQYKGHIQJNQT-NWDGAFQWSA-N 1 0 242.363 1.340 10 0 BDAERO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CCC1 ZINC000616570526 348067462 /nfs/dbraw/zinc/06/74/62/348067462.db2.gz NAMQKDFOBJJSTE-MWLCHTKSSA-N 1 0 210.321 1.291 10 0 BDAERO Cc1ccccc1[C@H]([NH2+]CC(C)C)C(N)=O ZINC000037946181 179343283 /nfs/dbraw/zinc/34/32/83/179343283.db2.gz OLILATYSEKJWHL-LBPRGKRZSA-N 1 0 220.316 1.767 10 0 BDAERO O=C(C1CCCCC1)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000616570916 348078732 /nfs/dbraw/zinc/07/87/32/348078732.db2.gz IBTQNEGWGQJOPR-CHWSQXEVSA-N 1 0 236.359 1.920 10 0 BDAERO Cc1cccnc1-c1ncc(CC[NH3+])cn1 ZINC000054857363 179357417 /nfs/dbraw/zinc/35/74/17/179357417.db2.gz LKPZJSAHKBYPKI-UHFFFAOYSA-N 1 0 214.272 1.348 10 0 BDAERO C/C=C(/C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1CC ZINC000616571068 348096366 /nfs/dbraw/zinc/09/63/66/348096366.db2.gz PCRLYVLOCQGGSD-RJAQEEFZSA-N 1 0 210.321 1.457 10 0 BDAERO CC(C)[C@H]1CCC[N@@H+]1[C@H](C)C(N)=S ZINC000251407236 362870688 /nfs/dbraw/zinc/87/06/88/362870688.db2.gz NBGKHWWIKQMBHB-RKDXNWHRSA-N 1 0 200.351 1.781 10 0 BDAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@@H]([S@](C)=O)C1 ZINC000251457200 362876759 /nfs/dbraw/zinc/87/67/59/362876759.db2.gz ALZLVHZUDRXCGH-QYTUQVAYSA-N 1 0 203.351 1.532 10 0 BDAERO C[C@@H]1CCN(Cc2nccs2)C[C@H]1[NH3+] ZINC000251527585 362883673 /nfs/dbraw/zinc/88/36/73/362883673.db2.gz ANECKQRRCFAXRO-RKDXNWHRSA-N 1 0 211.334 1.312 10 0 BDAERO Cc1cccnc1NC(=O)[C@H]([NH3+])C(C)(C)C ZINC000077488116 179391794 /nfs/dbraw/zinc/39/17/94/179391794.db2.gz CRSWRBUYVIWQGJ-VIFPVBQESA-N 1 0 221.304 1.702 10 0 BDAERO CC1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000389650970 538001531 /nfs/dbraw/zinc/00/15/31/538001531.db2.gz VYZMHIRPGVTUER-VQXHTEKXSA-N 1 0 210.321 1.291 10 0 BDAERO C[N@H+](C1CCOCC1)[C@H]1CCCCC1=O ZINC000037339953 348330514 /nfs/dbraw/zinc/33/05/14/348330514.db2.gz ZLAQAMQTPGDDAL-NSHDSACASA-N 1 0 211.305 1.609 10 0 BDAERO C[C@H]1CSCCN1[C@H]1CCC[NH2+]C1 ZINC000251550907 362885940 /nfs/dbraw/zinc/88/59/40/362885940.db2.gz BFLJVLHHOCAMRQ-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO Cc1cccnc1N[C@@H]1CCC[N@@H+](C)C1 ZINC000051041045 179395864 /nfs/dbraw/zinc/39/58/64/179395864.db2.gz DXXBZRCNVPMTJW-LLVKDONJSA-N 1 0 205.305 1.896 10 0 BDAERO Cc1ccn2c(c1)nnc2[C@H]1CCC[NH2+]C1 ZINC000036243930 179414624 /nfs/dbraw/zinc/41/46/24/179414624.db2.gz WTZGQXDXAPEIIA-JTQLQIEISA-N 1 0 216.288 1.505 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCC1(SCC)CC1 ZINC000595942309 348410226 /nfs/dbraw/zinc/41/02/26/348410226.db2.gz CRKBICUCJIJDOW-VIFPVBQESA-N 1 0 230.377 1.516 10 0 BDAERO CCSC1(CNC(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000595947308 348411393 /nfs/dbraw/zinc/41/13/93/348411393.db2.gz ZQLYGMYIPIFTKE-VHSXEESVSA-N 1 0 244.404 1.762 10 0 BDAERO COC(=O)[C@@]1(C)OC12CCC([NH+](C)C)CC2 ZINC000669382727 538004429 /nfs/dbraw/zinc/00/44/29/538004429.db2.gz KMPXGHDXRKTMSP-CKBZRRDASA-N 1 0 227.304 1.191 10 0 BDAERO Cc1cc2nc(C3C[NH2+]C3)nn2c(Cl)c1C ZINC000725246160 538004850 /nfs/dbraw/zinc/00/48/50/538004850.db2.gz LIVBRSQNORLUBF-UHFFFAOYSA-N 1 0 236.706 1.686 10 0 BDAERO C[C@H]1CCN(Cc2ccsc2)C[C@H]1[NH3+] ZINC000251818537 362928223 /nfs/dbraw/zinc/92/82/23/362928223.db2.gz ZMXGYVVWJPVUBQ-GXSJLCMTSA-N 1 0 210.346 1.917 10 0 BDAERO CCSC1(CN[C@@H]2CC[NH2+]C2)CC1 ZINC000596651347 348606026 /nfs/dbraw/zinc/60/60/26/348606026.db2.gz NENRMWYPAOWHFG-SECBINFHSA-N 1 0 200.351 1.224 10 0 BDAERO O=C(c1ccc(F)cc1)[C@H](O)C[NH2+]C1CC1 ZINC000669383643 538009970 /nfs/dbraw/zinc/00/99/70/538009970.db2.gz WGGFYGUYMOKZOH-LLVKDONJSA-N 1 0 223.247 1.121 10 0 BDAERO Cc1cnc(NC(=O)C[NH2+]C2CCCC2)s1 ZINC000037481753 179625135 /nfs/dbraw/zinc/62/51/35/179625135.db2.gz NBSNOLVRNRCKBK-UHFFFAOYSA-N 1 0 239.344 1.922 10 0 BDAERO O=C(c1ccc(F)cc1)[C@@H](O)C[NH2+]C1CC1 ZINC000669383644 538011134 /nfs/dbraw/zinc/01/11/34/538011134.db2.gz WGGFYGUYMOKZOH-NSHDSACASA-N 1 0 223.247 1.121 10 0 BDAERO [NH3+][C@@H]1C[C@@]12CNc1c2cc(Cl)cc1F ZINC000725247035 538011402 /nfs/dbraw/zinc/01/14/02/538011402.db2.gz FQBMBWFNRGVUKX-SCZZXKLOSA-N 1 0 212.655 1.873 10 0 BDAERO COc1cc2c(c(C)c1)NC[C@]21C[C@@H]1[NH3+] ZINC000725247497 538012928 /nfs/dbraw/zinc/01/29/28/538012928.db2.gz OLMYQDOAAVBQNY-CMPLNLGQSA-N 1 0 204.273 1.398 10 0 BDAERO COc1cc2c(c(C)c1)NC[C@@]21C[C@@H]1[NH3+] ZINC000725247498 538014138 /nfs/dbraw/zinc/01/41/38/538014138.db2.gz OLMYQDOAAVBQNY-JQWIXIFHSA-N 1 0 204.273 1.398 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000054074998 348877104 /nfs/dbraw/zinc/87/71/04/348877104.db2.gz YAWVOKXMRANXBP-HBNTYKKESA-N 1 0 212.337 1.631 10 0 BDAERO Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)nc1 ZINC000054305769 348979064 /nfs/dbraw/zinc/97/90/64/348979064.db2.gz AHLUNQZYMRCOBB-LLVKDONJSA-N 1 0 233.315 1.718 10 0 BDAERO CC(C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290132 348962303 /nfs/dbraw/zinc/96/23/03/348962303.db2.gz RWVJABWXLOXGPD-LLVKDONJSA-N 1 0 212.337 1.538 10 0 BDAERO Cc1coc(-c2sc(C[NH3+])nc2C)n1 ZINC000669380977 538020599 /nfs/dbraw/zinc/02/05/99/538020599.db2.gz UVBUVLMWCQCKOP-UHFFFAOYSA-N 1 0 209.274 1.874 10 0 BDAERO CSC[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000400143191 362936583 /nfs/dbraw/zinc/93/65/83/362936583.db2.gz ZQROJEULNVWRHE-DCAQKATOSA-N 1 0 242.388 1.468 10 0 BDAERO Cc1ccc(N)c(C)c1CNC(=O)C[NH+](C)C ZINC000616574040 349075916 /nfs/dbraw/zinc/07/59/16/349075916.db2.gz WHUGPSISMKYRIL-UHFFFAOYSA-N 1 0 235.331 1.063 10 0 BDAERO [NH3+]C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000616575426 349095317 /nfs/dbraw/zinc/09/53/17/349095317.db2.gz KFRWTVDMVLULCX-UHFFFAOYSA-N 1 0 246.310 1.449 10 0 BDAERO C=CC(=O)N1CC[C@H](CC(C)C)[C@@H]([NH3+])C1 ZINC000616572633 349061733 /nfs/dbraw/zinc/06/17/33/349061733.db2.gz XCXGOMMTZPLWEY-MNOVXSKESA-N 1 0 210.321 1.394 10 0 BDAERO C/C=C\C(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616571930 349064243 /nfs/dbraw/zinc/06/42/43/349064243.db2.gz OQHCZXQYRNHPLQ-OUZXLXBKSA-N 1 0 236.237 1.219 10 0 BDAERO C1CC([NH2+][C@@H]2CCCN3CCSC[C@H]23)C1 ZINC000616577864 349119367 /nfs/dbraw/zinc/11/93/67/349119367.db2.gz NBQHHXHIKAZOPC-VXGBXAGGSA-N 1 0 226.389 1.708 10 0 BDAERO COCCC[NH2+][C@@H]1C2CCN(CC2)C12CC2 ZINC000616577842 349119562 /nfs/dbraw/zinc/11/95/62/349119562.db2.gz MZMZTWYZUOXUNI-GFCCVEGCSA-N 1 0 224.348 1.239 10 0 BDAERO CO[C@@]1(COc2cccc(F)c2)CCC[NH2+]C1 ZINC000616578403 349124574 /nfs/dbraw/zinc/12/45/74/349124574.db2.gz LVYOVDYGVUNHRO-ZDUSSCGKSA-N 1 0 239.290 1.973 10 0 BDAERO C1CC1[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000616578746 349126327 /nfs/dbraw/zinc/12/63/27/349126327.db2.gz PYILYUJYLCDGEX-GHMZBOCLSA-N 1 0 212.362 1.318 10 0 BDAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cn[nH]c1 ZINC000308926187 349129810 /nfs/dbraw/zinc/12/98/10/349129810.db2.gz KPCIKJHMXHHDSH-QWRGUYRKSA-N 1 0 209.293 1.050 10 0 BDAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000299805640 538030622 /nfs/dbraw/zinc/03/06/22/538030622.db2.gz YZKSISRSKGYHPE-RNFRBKRXSA-N 1 0 239.237 1.726 10 0 BDAERO Cn1c2c(nc1C(C)(C)F)CCC[C@H]2[NH3+] ZINC000725253277 538036163 /nfs/dbraw/zinc/03/61/63/538036163.db2.gz AEWNJKXAXFRAPN-SSDOTTSWSA-N 1 0 211.284 1.961 10 0 BDAERO CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000388627211 349275467 /nfs/dbraw/zinc/27/54/67/349275467.db2.gz HNPUVOCHNQMCLL-KKOKHZNYSA-N 1 0 224.348 1.537 10 0 BDAERO CCOCc1nc2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253487 538037116 /nfs/dbraw/zinc/03/71/16/538037116.db2.gz MAVRUCBZZQSFLL-QMMMGPOBSA-N 1 0 209.293 1.293 10 0 BDAERO CO[C@H](C)c1nc2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253730 538039442 /nfs/dbraw/zinc/03/94/42/538039442.db2.gz WIHHKSNVZMTDLP-SFYZADRCSA-N 1 0 209.293 1.464 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]1C ZINC000309036174 349370311 /nfs/dbraw/zinc/37/03/11/349370311.db2.gz GBWFYFZONYPZKT-IJLUTSLNSA-N 1 0 215.337 1.552 10 0 BDAERO NC(=O)N1CCc2ccccc2[C@H]1CC[NH3+] ZINC000616586137 349375937 /nfs/dbraw/zinc/37/59/37/349375937.db2.gz ZYGRRNAAGQQTMH-LLVKDONJSA-N 1 0 219.288 1.013 10 0 BDAERO Cc1nc(C)n([C@@H](c2ccco2)[C@H](C)[NH3+])n1 ZINC000043336505 179922865 /nfs/dbraw/zinc/92/28/65/179922865.db2.gz PAMQQIQTXXABEI-WRWORJQWSA-N 1 0 220.276 1.425 10 0 BDAERO Cc1nnc(C2(C[NH3+])CCCCC2)n1C ZINC000082946554 538041100 /nfs/dbraw/zinc/04/11/00/538041100.db2.gz HTEWAQYJBWYPBX-UHFFFAOYSA-N 1 0 208.309 1.284 10 0 BDAERO N#Cc1cnnc(N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000396957310 350010085 /nfs/dbraw/zinc/01/00/85/350010085.db2.gz WBHHGWKCCGJTHF-LBPRGKRZSA-N 1 0 243.314 1.023 10 0 BDAERO CO[C@H]1CC[NH2+]CC[C@@H]1CC(=O)N1CCCC1 ZINC000616590865 350017691 /nfs/dbraw/zinc/01/76/91/350017691.db2.gz LRXRQNKRNNXZAV-NEPJUHHUSA-N 1 0 240.347 1.014 10 0 BDAERO COC[C@@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090224001 191001377 /nfs/dbraw/zinc/00/13/77/191001377.db2.gz HASAHGFMCSWFDI-SCZZXKLOSA-N 1 0 224.308 1.046 10 0 BDAERO CO[C@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616591149 350073353 /nfs/dbraw/zinc/07/33/53/350073353.db2.gz YUHOVERESQKTML-LBPRGKRZSA-N 1 0 206.289 1.543 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000051732064 350080315 /nfs/dbraw/zinc/08/03/15/350080315.db2.gz KRJQDHWXSYTXHA-HLTSFMKQSA-N 1 0 200.351 1.781 10 0 BDAERO Cc1nc(COc2ccc(C[C@@H](C)[NH3+])cc2)no1 ZINC000037723732 179978882 /nfs/dbraw/zinc/97/88/82/179978882.db2.gz XGESEQJICASGMU-SECBINFHSA-N 1 0 247.298 1.847 10 0 BDAERO CCN(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000122065177 350060019 /nfs/dbraw/zinc/06/00/19/350060019.db2.gz LZLUBMZRYQTUBK-SNVBAGLBSA-N 1 0 213.325 1.132 10 0 BDAERO CC(C)CN1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000051770376 350104674 /nfs/dbraw/zinc/10/46/74/350104674.db2.gz VISJHKSACUGVTO-KGLIPLIRSA-N 1 0 240.391 1.564 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])CNC(=O)NC1CCCC1 ZINC000725255065 538050064 /nfs/dbraw/zinc/05/00/64/538050064.db2.gz QEMSZZUWKBCGGM-ONGXEEELSA-N 1 0 227.352 1.602 10 0 BDAERO CC[C@@H](C)[C@H]([NH3+])CNC(=O)NC1CCCC1 ZINC000725255064 538050099 /nfs/dbraw/zinc/05/00/99/538050099.db2.gz QEMSZZUWKBCGGM-MWLCHTKSSA-N 1 0 227.352 1.602 10 0 BDAERO Cc1nc(N)sc1S[C@@H]1CC[NH2+]C1 ZINC000051784182 180001561 /nfs/dbraw/zinc/00/15/61/180001561.db2.gz ZNGCWYCFWAAOKO-ZCFIWIBFSA-N 1 0 215.347 1.488 10 0 BDAERO Cc1nc([C@@H]2CCOC2)sc1[C@H](C)[NH3+] ZINC000051691374 180045059 /nfs/dbraw/zinc/04/50/59/180045059.db2.gz XALVYOWRPCFADW-POYBYMJQSA-N 1 0 212.318 1.975 10 0 BDAERO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)C(=O)N(C)C ZINC000052855415 180082812 /nfs/dbraw/zinc/08/28/12/180082812.db2.gz VUTIOVDICGESHY-MRVPVSSYSA-N 1 0 246.314 1.576 10 0 BDAERO Cc1[nH]c2ccc(NC3COC3)cc2[nH+]1 ZINC000075127939 180095444 /nfs/dbraw/zinc/09/54/44/180095444.db2.gz GECGZRBSWJOKAB-UHFFFAOYSA-N 1 0 203.245 1.682 10 0 BDAERO CCS(=O)(=O)N(C)c1cccc(F)c1C[NH3+] ZINC000725255930 538053654 /nfs/dbraw/zinc/05/36/54/538053654.db2.gz PUHJBTQTFDNNHE-UHFFFAOYSA-N 1 0 246.307 1.070 10 0 BDAERO C[NH2+]Cc1nnn(C2CCC2)c1-c1ccnn1C ZINC000725257371 538064082 /nfs/dbraw/zinc/06/40/82/538064082.db2.gz LXJBTGTVYASMAG-UHFFFAOYSA-N 1 0 246.318 1.123 10 0 BDAERO Cc1nc2sccn2c1C[NH2+]Cc1cn[nH]c1 ZINC000038006251 180118062 /nfs/dbraw/zinc/11/80/62/180118062.db2.gz BQQTYVAJAUENGK-UHFFFAOYSA-N 1 0 247.327 1.717 10 0 BDAERO Cc1nc[nH]c1C[NH2+][C@@H](C)c1ccncc1 ZINC000054794022 180121851 /nfs/dbraw/zinc/12/18/51/180121851.db2.gz NGTXCKGABZQIEL-VIFPVBQESA-N 1 0 216.288 1.964 10 0 BDAERO CC[C@](C)([NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257759 538067342 /nfs/dbraw/zinc/06/73/42/538067342.db2.gz XPZOQQREFHYMSN-LBPRGKRZSA-N 1 0 247.302 1.167 10 0 BDAERO Cc1sc[n+](Cc2cnc(C)nc2N)c1C ZINC000000278001 180162267 /nfs/dbraw/zinc/16/22/67/180162267.db2.gz AXHYKTKTWXFPDG-UHFFFAOYSA-N 1 0 235.336 1.381 10 0 BDAERO CC[C@@](C)([NH3+])c1nc(-c2ccnn2C)cc(=O)[nH]1 ZINC000725257758 538068015 /nfs/dbraw/zinc/06/80/15/538068015.db2.gz XPZOQQREFHYMSN-GFCCVEGCSA-N 1 0 247.302 1.167 10 0 BDAERO Cc1ncc([C@H]2C[NH+]3CCC2CC3)cn1 ZINC000013448322 180175125 /nfs/dbraw/zinc/17/51/25/180175125.db2.gz KFBBCDJPHCQEHY-LBPRGKRZSA-N 1 0 203.289 1.594 10 0 BDAERO Cc1nccc(CNC2=[NH+]C[C@@H](C)S2)n1 ZINC000045005724 180187852 /nfs/dbraw/zinc/18/78/52/180187852.db2.gz YFQUXJZCKKSDJC-SSDOTTSWSA-N 1 0 222.317 1.366 10 0 BDAERO Cc1nccn1-c1ccc(C(N)=[NH2+])cc1 ZINC000019865993 180229274 /nfs/dbraw/zinc/22/92/74/180229274.db2.gz DRRNGOSHJXKURU-UHFFFAOYSA-N 1 0 200.245 1.465 10 0 BDAERO Cc1nccn1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000022167871 180234188 /nfs/dbraw/zinc/23/41/88/180234188.db2.gz MVZJHYNMSRIHPW-UHFFFAOYSA-N 1 0 244.298 1.289 10 0 BDAERO COC1(OC)CC[C@H](CCO)C[C@@H]1CC[NH3+] ZINC000725261889 538087716 /nfs/dbraw/zinc/08/77/16/538087716.db2.gz MCDQJVZYFVJYBT-MNOVXSKESA-N 1 0 231.336 1.123 10 0 BDAERO Cc1nccn1C[C@H]([NH3+])c1cccc(O)c1 ZINC000011848614 180270464 /nfs/dbraw/zinc/27/04/64/180270464.db2.gz YUMVOKUAFBQYPR-LBPRGKRZSA-N 1 0 217.272 1.597 10 0 BDAERO Cc1ncn([C@H](c2ccncc2)[C@H](C)[NH3+])c1C ZINC000051925706 180289368 /nfs/dbraw/zinc/28/93/68/180289368.db2.gz QZQPXOQPNRXQNF-ZANVPECISA-N 1 0 230.315 1.832 10 0 BDAERO Cc1ncnc(NC2CC[NH2+]CC2)c1C ZINC000045950813 180290876 /nfs/dbraw/zinc/29/08/76/180290876.db2.gz XEOGSAKQJBKPLN-UHFFFAOYSA-N 1 0 206.293 1.257 10 0 BDAERO Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000219212020 180282214 /nfs/dbraw/zinc/28/22/14/180282214.db2.gz SNUVDOHPFHQKGA-GMTAPVOTSA-N 1 0 221.304 1.613 10 0 BDAERO Cc1ncn(-c2ncccc2C[NH3+])c1C ZINC000051925508 180286244 /nfs/dbraw/zinc/28/62/44/180286244.db2.gz BVCWTIFBCZCRFA-UHFFFAOYSA-N 1 0 202.261 1.343 10 0 BDAERO Cc1ncn(C[C@@H]2CC[C@@H](C[NH3+])O2)c1C ZINC000052593600 180287036 /nfs/dbraw/zinc/28/70/36/180287036.db2.gz DKFNGJUDDIIQOP-QWRGUYRKSA-N 1 0 209.293 1.006 10 0 BDAERO C[C@H]1COCCN1[C@H](C[NH3+])C(C)(C)C ZINC000251851061 362954561 /nfs/dbraw/zinc/95/45/61/362954561.db2.gz RLIRWFOXZKKYFE-VHSXEESVSA-N 1 0 200.326 1.081 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1c1noc(-c2ccncc2)n1 ZINC000076051628 350347050 /nfs/dbraw/zinc/34/70/50/350347050.db2.gz BJBQBJKNUXIXGE-NXEZZACHSA-N 1 0 230.271 1.726 10 0 BDAERO CCN(C)[C@H](C[NH3+])CCNC(=O)OC(C)(C)C ZINC000226184854 350405754 /nfs/dbraw/zinc/40/57/54/350405754.db2.gz AAKLFAUOOPSEEK-JTQLQIEISA-N 1 0 245.367 1.180 10 0 BDAERO CC(C)[C@H](C)NC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000725264043 538090757 /nfs/dbraw/zinc/09/07/57/538090757.db2.gz HWZBQKCCXAQBER-NSHDSACASA-N 1 0 239.363 1.426 10 0 BDAERO Cc1nn(C)c(C)c1[C@H](C)N1CC[NH2+]CC1 ZINC000045173254 180348314 /nfs/dbraw/zinc/34/83/14/180348314.db2.gz SSWSPQWWDWENIK-NSHDSACASA-N 1 0 222.336 1.003 10 0 BDAERO Cc1nn(C)c(N(C)C2CCCC2)c1C(N)=[NH2+] ZINC000104315019 180351779 /nfs/dbraw/zinc/35/17/79/180351779.db2.gz NNJABVGVRBLPCO-UHFFFAOYSA-N 1 0 235.335 1.391 10 0 BDAERO Cc1nn(C)c(N(C)Cc2ccco2)c1C[NH3+] ZINC000035716394 180352724 /nfs/dbraw/zinc/35/27/24/180352724.db2.gz CNZBRCILUVYAMQ-UHFFFAOYSA-N 1 0 234.303 1.417 10 0 BDAERO Cc1nn(C)c(N(C)[C@H](C)C2CC2)c1C[NH3+] ZINC000036786041 180353049 /nfs/dbraw/zinc/35/30/49/180353049.db2.gz KYUOUQBAXUUBBF-SECBINFHSA-N 1 0 222.336 1.422 10 0 BDAERO Cc1nn(C)c(N[C@@H](C[NH+](C)C)C(C)C)c1N ZINC000049194830 180360453 /nfs/dbraw/zinc/36/04/53/180360453.db2.gz IQUQPHVCVHYTKC-JTQLQIEISA-N 1 0 239.367 1.309 10 0 BDAERO O[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000226271238 350412693 /nfs/dbraw/zinc/41/26/93/350412693.db2.gz BTFKGDWAUMMJCC-GMTAPVOTSA-N 1 0 215.362 1.775 10 0 BDAERO FC1(F)CCc2[nH]nc(C3=CC[NH2+]CC3)c2C1 ZINC000725265417 538093058 /nfs/dbraw/zinc/09/30/58/538093058.db2.gz ARHKQXUJVCNOFQ-UHFFFAOYSA-N 1 0 239.269 1.910 10 0 BDAERO CCCCNC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000725264933 538093358 /nfs/dbraw/zinc/09/33/58/538093358.db2.gz XNSPDGDBZGHUSI-UHFFFAOYSA-N 1 0 247.289 1.037 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2ncc[nH]2)CC1 ZINC000616592609 350468167 /nfs/dbraw/zinc/46/81/67/350468167.db2.gz DDWHNOWHWZWXGV-SNVBAGLBSA-N 1 0 209.293 1.582 10 0 BDAERO c1ncc(-c2cnnn2[C@H]2CCC[NH2+]CC2)s1 ZINC000725266117 538093859 /nfs/dbraw/zinc/09/38/59/538093859.db2.gz NUDDDGBDDWRSIH-VIFPVBQESA-N 1 0 249.343 1.716 10 0 BDAERO c1nnn(C2CC[NH2+]CC2)c1-c1cccnc1 ZINC000725266148 538093885 /nfs/dbraw/zinc/09/38/85/538093885.db2.gz QBJQHEHUYFHKCV-UHFFFAOYSA-N 1 0 229.287 1.265 10 0 BDAERO COC[C@@]12CN(C(N)=[NH2+])C[C@H]1CCCC2 ZINC000409435622 350479139 /nfs/dbraw/zinc/47/91/39/350479139.db2.gz VUGHNVHASDIJKG-MWLCHTKSSA-N 1 0 211.309 1.018 10 0 BDAERO c1nnn([C@H]2CC[NH2+]C2)c1-c1cc(C2CC2)no1 ZINC000725266068 538094018 /nfs/dbraw/zinc/09/40/18/538094018.db2.gz JBQRQPKTSWAHLW-VIFPVBQESA-N 1 0 245.286 1.345 10 0 BDAERO Cc1nnc(-c2ccc(C[NH3+])cc2)s1 ZINC000082532359 180394539 /nfs/dbraw/zinc/39/45/39/180394539.db2.gz YMIFJOXCTJVMAJ-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO O=Cc1ccc(-c2cnnn2[C@@H]2CC[NH2+]C2)s1 ZINC000725266063 538094315 /nfs/dbraw/zinc/09/43/15/538094315.db2.gz ISMAMYFNVFNIAQ-MRVPVSSYSA-N 1 0 248.311 1.354 10 0 BDAERO Cc1nn(C[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC000043472187 180390577 /nfs/dbraw/zinc/39/05/77/180390577.db2.gz BCBKLJATUAVYCH-GFCCVEGCSA-N 1 0 207.321 1.808 10 0 BDAERO C/C(=C/Cl)CN1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000308115228 350529767 /nfs/dbraw/zinc/52/97/67/350529767.db2.gz WJWQHBJCNRSDNV-VAJAEUGUSA-N 1 0 202.729 1.798 10 0 BDAERO CC(C)[C@H](C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248557336 191108668 /nfs/dbraw/zinc/10/86/68/191108668.db2.gz ADBBOJVSVGGTEB-MROQNXINSA-N 1 0 238.375 1.864 10 0 BDAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)S(C)(=O)=O ZINC000309483211 350577295 /nfs/dbraw/zinc/57/72/95/350577295.db2.gz UKIBMWXOYGMOSZ-QJPTWQEYSA-N 1 0 247.404 1.978 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2ncccn2)CC1 ZINC000616594871 350596104 /nfs/dbraw/zinc/59/61/04/350596104.db2.gz IPKAZWFGGVPRQQ-LLVKDONJSA-N 1 0 221.304 1.648 10 0 BDAERO CC(C)[N@@H+]1CCO[C@@H](c2cc[nH]n2)CC1 ZINC000616594930 350596208 /nfs/dbraw/zinc/59/62/08/350596208.db2.gz SCZMTVKTHXANGP-LLVKDONJSA-N 1 0 209.293 1.582 10 0 BDAERO C[C@@H](N[C@H]1CCC[NH2+][C@H]1C)[C@H]1CCCO1 ZINC000396615117 323394332 /nfs/dbraw/zinc/39/43/32/323394332.db2.gz SCECPDZUQGNGNQ-WHOHXGKFSA-N 1 0 212.337 1.284 10 0 BDAERO C[NH2+]C[C@H](C)c1n[nH]nc1C(=O)OC(C)(C)C ZINC000725266387 538096221 /nfs/dbraw/zinc/09/62/21/538096221.db2.gz RYXIFSJEFVMEJC-ZETCQYMHSA-N 1 0 240.307 1.083 10 0 BDAERO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384896442 350624592 /nfs/dbraw/zinc/62/45/92/350624592.db2.gz MJDXFEZOGUBRCL-QWRGUYRKSA-N 1 0 242.363 1.136 10 0 BDAERO Cc1noc(CC[NH2+]Cc2ccc(C)nc2)n1 ZINC000155809483 191116040 /nfs/dbraw/zinc/11/60/40/191116040.db2.gz HJYDMBMWKQPOFY-UHFFFAOYSA-N 1 0 232.287 1.414 10 0 BDAERO CCOC(=O)[C@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616596548 350633686 /nfs/dbraw/zinc/63/36/86/350633686.db2.gz ZXWZPUXUHFPIBN-SNVBAGLBSA-N 1 0 229.320 1.439 10 0 BDAERO CCN1CC[NH+](C[C@@H]2C[C@@]2(CO)C(C)C)CC1 ZINC000725267250 538097578 /nfs/dbraw/zinc/09/75/78/538097578.db2.gz QLWTWGVXIWMMSA-UONOGXRCSA-N 1 0 240.391 1.279 10 0 BDAERO OCC[N@@H+]1CCCO[C@@H](c2cccc(F)c2)C1 ZINC000616598505 350674028 /nfs/dbraw/zinc/67/40/28/350674028.db2.gz MNLVWTJVFIXGFA-CYBMUJFWSA-N 1 0 239.290 1.581 10 0 BDAERO Cc1noc(CCC[NH2+]Cc2cc[nH]c2)n1 ZINC000086253030 180482498 /nfs/dbraw/zinc/48/24/98/180482498.db2.gz JWTCDLWNVZCUBO-UHFFFAOYSA-N 1 0 220.276 1.429 10 0 BDAERO OCC[C@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616598419 350669077 /nfs/dbraw/zinc/66/90/77/350669077.db2.gz ABMZXKVDQWMDAJ-AWEZNQCLSA-N 1 0 235.327 1.660 10 0 BDAERO C[C@@H](C[NH3+])[C@H](C)c1c(Br)nnn1C ZINC000235145385 350711833 /nfs/dbraw/zinc/71/18/33/350711833.db2.gz XFADNACYWQRNAO-WDSKDSINSA-N 1 0 247.140 1.276 10 0 BDAERO c1cc2ccc([C@H]3COCCC[NH2+]3)cc2nn1 ZINC000616598542 350675550 /nfs/dbraw/zinc/67/55/50/350675550.db2.gz DHDKIHMGUSOOJV-CYBMUJFWSA-N 1 0 229.283 1.681 10 0 BDAERO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C(F)(F)F ZINC000401291753 362975265 /nfs/dbraw/zinc/97/52/65/362975265.db2.gz LUWBAMMZJCGSST-ACZMJKKPSA-N 1 0 224.226 1.146 10 0 BDAERO [NH3+]CCN1CCCO[C@@H](c2cccc(F)c2)C1 ZINC000616599688 350754645 /nfs/dbraw/zinc/75/46/45/350754645.db2.gz YXPJGGBSCUIGME-CYBMUJFWSA-N 1 0 238.306 1.548 10 0 BDAERO C[C@@H]([NH3+])c1noc(-c2scnc2Cl)n1 ZINC000306673370 350819688 /nfs/dbraw/zinc/81/96/88/350819688.db2.gz NJRPINXALXURLH-GSVOUGTGSA-N 1 0 230.680 1.866 10 0 BDAERO OCC[N@@H+]1CCC[C@@H](Nc2ccccn2)CC1 ZINC000616600454 350780335 /nfs/dbraw/zinc/78/03/35/350780335.db2.gz FVANIKQBGFBRNL-GFCCVEGCSA-N 1 0 235.331 1.340 10 0 BDAERO CCN1CC[NH2+]C[C@@H]1c1ccccc1CO ZINC000616600886 350781431 /nfs/dbraw/zinc/78/14/31/350781431.db2.gz CRDPUCJDWLCQBT-CYBMUJFWSA-N 1 0 220.316 1.145 10 0 BDAERO OCC[N@@H+]1CCCC[C@H](c2cnco2)C1 ZINC000616603282 350788900 /nfs/dbraw/zinc/78/89/00/350788900.db2.gz FKWBDCQCCDUIBF-JTQLQIEISA-N 1 0 210.277 1.236 10 0 BDAERO [NH3+]CCN1CCC[C@@H](Nc2ccccn2)CC1 ZINC000616602546 350791896 /nfs/dbraw/zinc/79/18/96/350791896.db2.gz ZMRMJSJMCPFCKN-GFCCVEGCSA-N 1 0 234.347 1.307 10 0 BDAERO CCN1CC[NH2+]C[C@H]1c1ccccc1NC(C)=O ZINC000616604841 350793377 /nfs/dbraw/zinc/79/33/77/350793377.db2.gz PXVQLFLVDJHOIZ-AWEZNQCLSA-N 1 0 247.342 1.611 10 0 BDAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2nn[nH]n2)C1 ZINC000616605269 350794218 /nfs/dbraw/zinc/79/42/18/350794218.db2.gz WZNUPXRMXNUUOJ-VIFPVBQESA-N 1 0 223.324 1.568 10 0 BDAERO OCC[N@@H+]1CCC[C@@H]1c1cccc2ccnnc21 ZINC000616608269 350804409 /nfs/dbraw/zinc/80/44/09/350804409.db2.gz OHMRNWZAAMOGFK-CYBMUJFWSA-N 1 0 243.310 1.759 10 0 BDAERO CNc1cccc([C@@H]2CCC[N@@H+]2CCO)c1 ZINC000616608558 350805417 /nfs/dbraw/zinc/80/54/17/350805417.db2.gz XURQXVCLHOBCRX-ZDUSSCGKSA-N 1 0 220.316 1.858 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2cccnc2N)CC1 ZINC000616610595 350805984 /nfs/dbraw/zinc/80/59/84/350805984.db2.gz MXBFKTNWDIVQBN-SNVBAGLBSA-N 1 0 205.305 1.863 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1scnc1C ZINC000306677542 350831274 /nfs/dbraw/zinc/83/12/74/350831274.db2.gz ZCFYXDSKZVPWBW-ZETCQYMHSA-N 1 0 213.306 1.517 10 0 BDAERO CC[C@@H]1CN([C@H]2CCS[C@@H]2C)CC[NH2+]1 ZINC000306677537 350831288 /nfs/dbraw/zinc/83/12/88/350831288.db2.gz ZBMNVSMJWQNRFT-MXWKQRLJSA-N 1 0 214.378 1.564 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N(C)C(C)(C)C ZINC000306680469 350835505 /nfs/dbraw/zinc/83/55/05/350835505.db2.gz KXTGYVHVPXKSBM-RKDXNWHRSA-N 1 0 202.367 1.420 10 0 BDAERO Nc1cccc([C@H]2CCCCN2CC[NH3+])n1 ZINC000616614672 350837065 /nfs/dbraw/zinc/83/70/65/350837065.db2.gz IHCPGQNJEVTGRG-LLVKDONJSA-N 1 0 220.320 1.150 10 0 BDAERO OC[C@H]1CC[N@H+](C[C@H]2CCCSC2)C1 ZINC000306682918 350839417 /nfs/dbraw/zinc/83/94/17/350839417.db2.gz TVFMKWBMQSXJIL-WDEREUQCSA-N 1 0 215.362 1.444 10 0 BDAERO Nc1cc(F)cc(SCC2C[NH2+]C2)c1 ZINC000306706643 350854036 /nfs/dbraw/zinc/85/40/36/350854036.db2.gz JCUADFUIXWTURP-UHFFFAOYSA-N 1 0 212.293 1.719 10 0 BDAERO [NH3+]CCN1CCCC[C@H]1OC(F)(F)F ZINC000616616485 350854499 /nfs/dbraw/zinc/85/44/99/350854499.db2.gz QIYVDFIHTHVZHC-SSDOTTSWSA-N 1 0 212.215 1.294 10 0 BDAERO CC[C@@H]1CCC[C@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623090931 350862233 /nfs/dbraw/zinc/86/22/33/350862233.db2.gz GNJPTWYJKQXIFY-KGLIPLIRSA-N 1 0 242.407 1.811 10 0 BDAERO CC[C@@H]1CCC[C@@H]([N@H+](C)CCN(C)CCO)C1 ZINC000623090933 350862287 /nfs/dbraw/zinc/86/22/87/350862287.db2.gz GNJPTWYJKQXIFY-ZIAGYGMSSA-N 1 0 242.407 1.811 10 0 BDAERO CN(Cc1nnsc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000306676523 350827607 /nfs/dbraw/zinc/82/76/07/350827607.db2.gz WHYQXEUDONYVHF-SSDOTTSWSA-N 1 0 246.767 1.327 10 0 BDAERO C[C@]1(O)CCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000306676359 350828647 /nfs/dbraw/zinc/82/86/47/350828647.db2.gz VYGVGOGKDJBQOG-AXFHLTTASA-N 1 0 215.362 1.775 10 0 BDAERO CCn1cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cn1 ZINC000226029890 350900640 /nfs/dbraw/zinc/90/06/40/350900640.db2.gz ZVXQVUUIGPAXGO-VXGBXAGGSA-N 1 0 223.320 1.296 10 0 BDAERO C[C@@H]1C[NH+]=C(N[C@@H]2CSC[C@@H]2C)S1 ZINC000306733503 350903451 /nfs/dbraw/zinc/90/34/51/350903451.db2.gz ICJAZPFLQLJKTD-XLPZGREQSA-N 1 0 216.375 1.819 10 0 BDAERO C[C@H]1CSCCN1[C@H](C[NH3+])C(F)(F)F ZINC000251814855 350904176 /nfs/dbraw/zinc/90/41/76/350904176.db2.gz ORAUWZWXRUKORC-NKWVEPMBSA-N 1 0 228.283 1.313 10 0 BDAERO C[C@H]1SCC[C@@H]1Nc1cccc(N)[nH+]1 ZINC000306734925 350904847 /nfs/dbraw/zinc/90/48/47/350904847.db2.gz VJMFGDXXARCQMH-SFYZADRCSA-N 1 0 209.318 1.970 10 0 BDAERO C[C@@H]([NH3+])[C@@H](C)Nc1cccnc1Br ZINC000306718764 350878731 /nfs/dbraw/zinc/87/87/31/350878731.db2.gz WQXOSWVBBPVCAX-RNFRBKRXSA-N 1 0 244.136 1.992 10 0 BDAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]1(O)CO ZINC000306719911 350880480 /nfs/dbraw/zinc/88/04/80/350880480.db2.gz YTHJMOVLIZQVDW-AAEUAGOBSA-N 1 0 221.300 1.004 10 0 BDAERO Nc1ccccc1[C@H]1CCC[N@H+](CCO)C1 ZINC000616617969 350881486 /nfs/dbraw/zinc/88/14/86/350881486.db2.gz NURAWOYWJMLBMU-NSHDSACASA-N 1 0 220.316 1.441 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]C2CCS(=O)CC2)[C@H]1C ZINC000306722254 350889401 /nfs/dbraw/zinc/88/94/01/350889401.db2.gz FPDDPHOKIVFPDP-QZABBYLSSA-N 1 0 215.362 1.532 10 0 BDAERO [NH3+]CCC(=O)Nc1ncc(Cl)s1 ZINC000306726524 350896460 /nfs/dbraw/zinc/89/64/60/350896460.db2.gz MBRLZBSXYPLQMY-UHFFFAOYSA-N 1 0 205.670 1.084 10 0 BDAERO CSCCCNC(=O)C[C@H]([NH3+])C(C)C ZINC000129072307 350977991 /nfs/dbraw/zinc/97/79/91/350977991.db2.gz OXVOVMVKDWCHMV-VIFPVBQESA-N 1 0 218.366 1.229 10 0 BDAERO [NH3+][C@H](Cc1cncs1)c1ccccn1 ZINC000159708502 350980337 /nfs/dbraw/zinc/98/03/37/350980337.db2.gz RQBGWKWTOMVUJL-SECBINFHSA-N 1 0 205.286 1.781 10 0 BDAERO Fc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000159713014 350984330 /nfs/dbraw/zinc/98/43/30/350984330.db2.gz ANZHABGLAFDCAD-UHFFFAOYSA-N 1 0 213.643 1.850 10 0 BDAERO [NH3+][C@H](Cc1cncs1)[C@H]1CSCCO1 ZINC000159734316 350990339 /nfs/dbraw/zinc/99/03/39/350990339.db2.gz HWBLJOWHYOKHBM-RKDXNWHRSA-N 1 0 230.358 1.145 10 0 BDAERO Cc1sccc1CN1CC[C@H]([NH3+])[C@H]1C ZINC000306784423 351035404 /nfs/dbraw/zinc/03/54/04/351035404.db2.gz MBOATNWKHRXUMS-KCJUWKMLSA-N 1 0 210.346 1.978 10 0 BDAERO COC1(C)CCN([C@H](C)[C@@H](C)[NH3+])CC1 ZINC000306803348 351057995 /nfs/dbraw/zinc/05/79/95/351057995.db2.gz AHENBRRGQBGHPT-NXEZZACHSA-N 1 0 200.326 1.223 10 0 BDAERO C[C@H]([NH3+])C(=O)Nc1ccnc(Br)c1 ZINC000306804087 351058521 /nfs/dbraw/zinc/05/85/21/351058521.db2.gz WWUWKYDDCCVLGE-YFKPBYRVSA-N 1 0 244.092 1.130 10 0 BDAERO C[C@H]1C[C@@H](CNC(=O)C(F)(F)F)C[N@@H+]1C ZINC000306803936 351058695 /nfs/dbraw/zinc/05/86/95/351058695.db2.gz WSSXOMSNQFZKKL-BQBZGAKWSA-N 1 0 224.226 1.005 10 0 BDAERO CS[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000382869620 351058874 /nfs/dbraw/zinc/05/88/74/351058874.db2.gz CIUNGMAYLPJXBZ-SDDRHHMPSA-N 1 0 229.389 1.975 10 0 BDAERO CC(C)N1CC([NH2+][C@H]2CCS[C@@H]2C)C1 ZINC000306806792 351059669 /nfs/dbraw/zinc/05/96/69/351059669.db2.gz KYOKNTZSPRYCGW-KOLCDFICSA-N 1 0 214.378 1.563 10 0 BDAERO Cc1ncc(C(=O)[C@H]2CCC[C@@H]2[NH3+])n1C ZINC000306807646 351060664 /nfs/dbraw/zinc/06/06/64/351060664.db2.gz MXZBJEFSVOKUJV-IUCAKERBSA-N 1 0 207.277 1.039 10 0 BDAERO Cc1cc(CC(=O)[C@H]2COC[C@H]2[NH3+])cs1 ZINC000306808335 351061193 /nfs/dbraw/zinc/06/11/93/351061193.db2.gz 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c1cc2ccc([C@H]3C[NH2+]CCO3)cc2nn1 ZINC000616644024 351160169 /nfs/dbraw/zinc/16/01/69/351160169.db2.gz BQCLRUDGOKZSKG-GFCCVEGCSA-N 1 0 215.256 1.291 10 0 BDAERO CCOC(=O)c1cccc([C@H]2C[NH2+]CCO2)c1 ZINC000616645042 351166833 /nfs/dbraw/zinc/16/68/33/351166833.db2.gz UHVRZUZWCKCJOM-GFCCVEGCSA-N 1 0 235.283 1.524 10 0 BDAERO CC(C)(C)[C@H]1CN(CC[NH3+])CCCO1 ZINC000616653493 351194000 /nfs/dbraw/zinc/19/40/00/351194000.db2.gz QKHSFIDSWYGYNS-SNVBAGLBSA-N 1 0 200.326 1.082 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@H](c2cccnn2)C1 ZINC000616649466 351179371 /nfs/dbraw/zinc/17/93/71/351179371.db2.gz KKXACAAHFDZYRN-LBPRGKRZSA-N 1 0 221.304 1.648 10 0 BDAERO C[C@H]([NH3+])C(=O)Cc1cccc(F)c1Cl ZINC000167988253 351182703 /nfs/dbraw/zinc/18/27/03/351182703.db2.gz KIJBNNIBPVCJEA-LURJTMIESA-N 1 0 215.655 1.938 10 0 BDAERO OCCc1cccc([C@@H]2C[NH2+]CCCO2)c1 ZINC000616652928 351186822 /nfs/dbraw/zinc/18/68/22/351186822.db2.gz RREUBFNIGAPHCP-ZDUSSCGKSA-N 1 0 221.300 1.272 10 0 BDAERO CC[N@@H+]1CCCO[C@@H](c2ccccc2C(N)=O)C1 ZINC000616653358 351188211 /nfs/dbraw/zinc/18/82/11/351188211.db2.gz MUIZXBYWLVKKEU-CYBMUJFWSA-N 1 0 248.326 1.569 10 0 BDAERO CC(C)[N@@H+]1CCCO[C@@H](c2cccc(N)n2)C1 ZINC000616652159 351189957 /nfs/dbraw/zinc/18/99/57/351189957.db2.gz DSAYREPSZRRSQW-GFCCVEGCSA-N 1 0 235.331 1.836 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000616637270 351131536 /nfs/dbraw/zinc/13/15/36/351131536.db2.gz IUNARTUDHSXYHB-GFCCVEGCSA-N 1 0 219.332 1.826 10 0 BDAERO C[C@]1(CNC(=O)C(F)(F)F)CCC[NH2+]C1 ZINC000159955191 351134783 /nfs/dbraw/zinc/13/47/83/351134783.db2.gz LJCXGOBMADSXKO-QMMMGPOBSA-N 1 0 224.226 1.055 10 0 BDAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1ccncn1 ZINC000616637853 351135929 /nfs/dbraw/zinc/13/59/29/351135929.db2.gz RJLGATXNUKFWFW-NSHDSACASA-N 1 0 220.320 1.221 10 0 BDAERO c1cc2cc([C@H]3COCC[NH2+]3)ccc2cn1 ZINC000616639703 351142880 /nfs/dbraw/zinc/14/28/80/351142880.db2.gz YOLYDOMYSJMPMF-CYBMUJFWSA-N 1 0 214.268 1.896 10 0 BDAERO [NH3+]CCN1C[C@@H](c2c[nH]cn2)Cc2ccccc21 ZINC000616672497 351237388 /nfs/dbraw/zinc/23/73/88/351237388.db2.gz POVIRDGAWXCHEZ-LBPRGKRZSA-N 1 0 242.326 1.515 10 0 BDAERO [NH3+]CCN1C[C@H](CCO)Cc2ccccc21 ZINC000616674160 351237977 /nfs/dbraw/zinc/23/79/77/351237977.db2.gz YJVDWJBVEOOKDH-LLVKDONJSA-N 1 0 220.316 1.006 10 0 BDAERO [NH3+]CCN1C[C@@H](c2cn[nH]c2)Cc2ccccc21 ZINC000616673076 351240158 /nfs/dbraw/zinc/24/01/58/351240158.db2.gz UWQHXEQYWFWDDW-LBPRGKRZSA-N 1 0 242.326 1.515 10 0 BDAERO CCN1CCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616675395 351242871 /nfs/dbraw/zinc/24/28/71/351242871.db2.gz AQRJDCPTIRTIAI-CQSZACIVSA-N 1 0 235.327 1.615 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cocn1 ZINC000616680809 351247590 /nfs/dbraw/zinc/24/75/90/351247590.db2.gz QAPPHZSZCVIACB-AWEZNQCLSA-N 1 0 243.310 1.581 10 0 BDAERO c1n[nH]nc1[C@H]1NCCc2ccccc21 ZINC000616680606 351247999 /nfs/dbraw/zinc/24/79/99/351247999.db2.gz NQUVNFHVSQPSGE-NSHDSACASA-N 1 0 200.245 1.040 10 0 BDAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1c[nH]cn1 ZINC000616680909 351248213 /nfs/dbraw/zinc/24/82/13/351248213.db2.gz QZLXHYPXSGBAFP-AWEZNQCLSA-N 1 0 242.326 1.316 10 0 BDAERO CO[C@H]1c2ccccc2CCN1CC[NH3+] ZINC000616678874 351249698 /nfs/dbraw/zinc/24/96/98/351249698.db2.gz NYBPSYQQOYRQOS-LBPRGKRZSA-N 1 0 206.289 1.148 10 0 BDAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccon1 ZINC000616682127 351252320 /nfs/dbraw/zinc/25/23/20/351252320.db2.gz BELJPYOFQSVDBZ-ZDUSSCGKSA-N 1 0 244.298 1.607 10 0 BDAERO C[C@@H]1C[C@H]2CC[C@H]([NH+]3CCOCC3)[C@@H](C1)C2=O ZINC000725268244 538100125 /nfs/dbraw/zinc/10/01/25/538100125.db2.gz VRBPJSHYEFHWFO-LPWJVIDDSA-N 1 0 237.343 1.712 10 0 BDAERO COC(=O)N1c2ccccc2NC[C@@H]1C[NH3+] ZINC000616684539 351255168 /nfs/dbraw/zinc/25/51/68/351255168.db2.gz MCDZYYGJCZWSCA-QMMMGPOBSA-N 1 0 221.260 1.012 10 0 BDAERO C[N@@H+]1CCO[C@H](c2ccc(C(N)=O)cc2)CC1 ZINC000616687381 351258574 /nfs/dbraw/zinc/25/85/74/351258574.db2.gz WXFDGCIQOQJITF-LBPRGKRZSA-N 1 0 234.299 1.179 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2ccccn2)CC1 ZINC000616687396 351258819 /nfs/dbraw/zinc/25/88/19/351258819.db2.gz XHSKFGYIRVIFNS-LBPRGKRZSA-N 1 0 206.289 1.865 10 0 BDAERO CC(C)(C)N1CCOCC[C@H]1c1nc[nH]n1 ZINC000616657387 351198062 /nfs/dbraw/zinc/19/80/62/351198062.db2.gz XCNUBFAWBCJMNZ-VIFPVBQESA-N 1 0 224.308 1.367 10 0 BDAERO C[N@@H+]1CCOCC[C@@H]1c1ccccc1CO ZINC000616655598 351201038 /nfs/dbraw/zinc/20/10/38/351201038.db2.gz HEZIEHPHTNIUBL-CYBMUJFWSA-N 1 0 221.300 1.572 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@H](c2cccc(N)n2)C1 ZINC000616659173 351206321 /nfs/dbraw/zinc/20/63/21/351206321.db2.gz HNTDRZKMWKMVHP-LLVKDONJSA-N 1 0 235.331 1.488 10 0 BDAERO OCc1ccccc1[C@@H]1CCOCC[NH2+]1 ZINC000616659675 351208296 /nfs/dbraw/zinc/20/82/96/351208296.db2.gz QAOTYXPHYUZGHT-LBPRGKRZSA-N 1 0 207.273 1.230 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](c2cnoc2)C1 ZINC000616661502 351209522 /nfs/dbraw/zinc/20/95/22/351209522.db2.gz TWJUXSGOTKRXST-NSHDSACASA-N 1 0 210.277 1.499 10 0 BDAERO CC[N@@H+]1CCOC[C@@H](c2ccncc2)C1 ZINC000616661297 351209660 /nfs/dbraw/zinc/20/96/60/351209660.db2.gz OTGIAVIKRAHFJA-LBPRGKRZSA-N 1 0 206.289 1.517 10 0 BDAERO CC(C)[N@@H+]1CCOC[C@@H](c2cnco2)C1 ZINC000616661415 351209997 /nfs/dbraw/zinc/20/99/97/351209997.db2.gz RWHYVJDDGQPITG-JTQLQIEISA-N 1 0 210.277 1.499 10 0 BDAERO c1cc2cnccc2c([C@H]2C[NH2+]CCOC2)c1 ZINC000616661591 351210578 /nfs/dbraw/zinc/21/05/78/351210578.db2.gz VLXGEJNGPIQOPL-LBPRGKRZSA-N 1 0 228.295 1.938 10 0 BDAERO [NH3+]CCN1CCOC[C@@H](c2cccc(F)c2)C1 ZINC000616660823 351213208 /nfs/dbraw/zinc/21/32/08/351213208.db2.gz PDTGBIVUWVSNBZ-LBPRGKRZSA-N 1 0 238.306 1.200 10 0 BDAERO c1cc2ccc([C@H]3CC[NH2+]CCO3)cc2nn1 ZINC000616663631 351215744 /nfs/dbraw/zinc/21/57/44/351215744.db2.gz VFCNZMFPTKGBAA-CYBMUJFWSA-N 1 0 229.283 1.681 10 0 BDAERO CCOC(=O)c1cccc([C@H]2CC[NH2+]CCO2)c1 ZINC000616662744 351219133 /nfs/dbraw/zinc/21/91/33/351219133.db2.gz DQXFJESAZOZVQG-CYBMUJFWSA-N 1 0 249.310 1.914 10 0 BDAERO CC[N@@H+]1CCO[C@@H](c2ccc(CO)cc2)CC1 ZINC000616665981 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ZINC000229148556 352606820 /nfs/dbraw/zinc/60/68/20/352606820.db2.gz CYWVAUMDDUGNRN-IUCAKERBSA-N 1 0 211.334 1.498 10 0 BDAERO [NH3+][C@@H](Cc1csnn1)[C@H]1CSCCS1 ZINC000307471378 352612668 /nfs/dbraw/zinc/61/26/68/352612668.db2.gz RFCZIWIGOKDOGB-JGVFFNPUSA-N 1 0 247.414 1.257 10 0 BDAERO CC1(C)C[N@@H+]([C@H]2CCC(=O)C2)CC[C@H]1O ZINC000307403699 352577716 /nfs/dbraw/zinc/57/77/16/352577716.db2.gz KYQIDCWBFWAEHE-GXSJLCMTSA-N 1 0 211.305 1.201 10 0 BDAERO CC1(C)C[N@@H+]([C@@H]2CCC(=O)C2)CC[C@H]1O ZINC000307404498 352579564 /nfs/dbraw/zinc/57/95/64/352579564.db2.gz KYQIDCWBFWAEHE-MWLCHTKSSA-N 1 0 211.305 1.201 10 0 BDAERO CN1CCNC(CCc2ccccc2)=[NH+]1 ZINC000039105192 187764782 /nfs/dbraw/zinc/76/47/82/187764782.db2.gz UFRGONAOWLVVHL-UHFFFAOYSA-N 1 0 203.289 1.468 10 0 BDAERO CC(C)(O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000032919262 187765526 /nfs/dbraw/zinc/76/55/26/187765526.db2.gz QDTDXVDUWXKCJR-LBPRGKRZSA-N 1 0 218.300 1.809 10 0 BDAERO NC1=[NH+]N(c2cncc(Br)c2)CC1 ZINC000307532102 352639325 /nfs/dbraw/zinc/63/93/25/352639325.db2.gz XIANAUHBCQPPDE-UHFFFAOYSA-N 1 0 241.092 1.326 10 0 BDAERO [NH3+]C[C@H]1CCCCN(c2nncs2)C1 ZINC000307534432 352640118 /nfs/dbraw/zinc/64/01/18/352640118.db2.gz PQFAHLPVZRIJKM-MRVPVSSYSA-N 1 0 212.322 1.103 10 0 BDAERO NC1=[NH+][C@H](c2cccc(Cl)c2)COC1 ZINC000307535423 352640294 /nfs/dbraw/zinc/64/02/94/352640294.db2.gz JWUNLNKWZCXRFP-VIFPVBQESA-N 1 0 210.664 1.769 10 0 BDAERO COc1ncc(C2(F)CC([NH3+])C2)s1 ZINC000307538765 352643569 /nfs/dbraw/zinc/64/35/69/352643569.db2.gz SLDDJRKVFAUXSP-UHFFFAOYSA-N 1 0 202.254 1.438 10 0 BDAERO C[C@H]1C[NH+]=C(N2CCSC[C@@H](C)C2)N1 ZINC000307540560 352644276 /nfs/dbraw/zinc/64/42/76/352644276.db2.gz WHYNPRIIAIKJPS-IUCAKERBSA-N 1 0 213.350 1.019 10 0 BDAERO Cc1ccc(C)c(NC(=O)C2(C[NH3+])CC2)c1 ZINC000077326775 187792305 /nfs/dbraw/zinc/79/23/05/187792305.db2.gz KWTOMCAOWBIFBT-UHFFFAOYSA-N 1 0 218.300 1.981 10 0 BDAERO CC1(C)[NH2+]CC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000307545940 352646360 /nfs/dbraw/zinc/64/63/60/352646360.db2.gz LAKOBTZBIFLFMX-NSHDSACASA-N 1 0 244.294 1.423 10 0 BDAERO CN(C(=O)Cc1ccsc1)[C@H]1CCC[NH2+]C1 ZINC000082499393 187793712 /nfs/dbraw/zinc/79/37/12/187793712.db2.gz HTRGKHPXYKSXFR-NSHDSACASA-N 1 0 238.356 1.501 10 0 BDAERO C[C@H]1[NH2+]CC[C@@H]1N1C(=O)c2ccccc2C1=O ZINC000307558602 352649270 /nfs/dbraw/zinc/64/92/70/352649270.db2.gz CWHMBHDJTKTFSO-KCJUWKMLSA-N 1 0 230.267 1.033 10 0 BDAERO CC1(C)COC[C@@H]1NC1=[NH+]CCS1 ZINC000307562343 352651077 /nfs/dbraw/zinc/65/10/77/352651077.db2.gz KQBLDXPUZNVXQR-ZETCQYMHSA-N 1 0 200.307 1.104 10 0 BDAERO C[C@@H]1C[C@@H](CNC(=O)C(F)(F)F)CC[NH2+]1 ZINC000307599708 352666173 /nfs/dbraw/zinc/66/61/73/352666173.db2.gz RJJGUIMRXYRBQH-RQJHMYQMSA-N 1 0 224.226 1.053 10 0 BDAERO Cc1cc(O)cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000638756670 352687415 /nfs/dbraw/zinc/68/74/15/352687415.db2.gz JOSLXAWRHYLYSR-VHSXEESVSA-N 1 0 234.299 1.767 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCCC2(CC2)CC1 ZINC000638756147 352690174 /nfs/dbraw/zinc/69/01/74/352690174.db2.gz JCCIKGJEDNXYNO-NSHDSACASA-N 1 0 222.332 1.389 10 0 BDAERO c1ccc2c(c1)C[C@]1(CO2)[NH2+]CCS1 ZINC000307621143 352690809 /nfs/dbraw/zinc/69/08/09/352690809.db2.gz FXQDRVRHWNDYBH-NSHDSACASA-N 1 0 207.298 1.654 10 0 BDAERO CCC[C@H]([NH3+])C(=O)Nc1cc(C)cc(O)c1 ZINC000638758003 352692142 /nfs/dbraw/zinc/69/21/42/352692142.db2.gz VVLSOMGGCNZWOS-NSHDSACASA-N 1 0 222.288 1.767 10 0 BDAERO CC(C)N(C)C(=O)C[NH2+]C1(C)CCCC1 ZINC000042187402 187803901 /nfs/dbraw/zinc/80/39/01/187803901.db2.gz ILVVOZKUVJMXST-UHFFFAOYSA-N 1 0 212.337 1.776 10 0 BDAERO CC(C)(O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043426807 187805211 /nfs/dbraw/zinc/80/52/11/187805211.db2.gz BJSWPTUDNOPDDK-WDEREUQCSA-N 1 0 213.321 1.401 10 0 BDAERO CC(C)[C@H](C[NH3+])n1nnc2ccccc21 ZINC000052576640 187813023 /nfs/dbraw/zinc/81/30/23/187813023.db2.gz HZAWICNHRSJAKN-NSHDSACASA-N 1 0 204.277 1.587 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCOCC3CC3)C[C@@H]2C1 ZINC000412030806 191241847 /nfs/dbraw/zinc/24/18/47/191241847.db2.gz AHPQRUJWIQZCBH-MELADBBJSA-N 1 0 239.359 1.506 10 0 BDAERO C[C@@H]1CCC[C@@H](C)[NH+]1CC[C@@H]([NH3+])C(=O)[O-] ZINC000218573444 538104914 /nfs/dbraw/zinc/10/49/14/538104914.db2.gz RHTXWSJDUXBUAW-OPRDCNLKSA-N 1 0 214.309 1.051 10 0 BDAERO C(NC1=[NH+]CCCS1)[C@H]1CCCO1 ZINC000008729588 187820430 /nfs/dbraw/zinc/82/04/30/187820430.db2.gz IOBILIWKWXCUGD-MRVPVSSYSA-N 1 0 200.307 1.248 10 0 BDAERO NC(=O)c1ccccc1C[NH2+]CC1CC1 ZINC000020037616 187826383 /nfs/dbraw/zinc/82/63/83/187826383.db2.gz TXNWSVSMSFSHRH-UHFFFAOYSA-N 1 0 204.273 1.285 10 0 BDAERO [NH3+][C@@H](c1ccns1)[C@@H]1CSCCO1 ZINC000307664925 352748922 /nfs/dbraw/zinc/74/89/22/352748922.db2.gz LEYQILBXMFOUNH-POYBYMJQSA-N 1 0 216.331 1.275 10 0 BDAERO CC[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000412035186 191247779 /nfs/dbraw/zinc/24/77/79/191247779.db2.gz DSYLAUQCAFTORV-NNYUYHANSA-N 1 0 241.331 1.031 10 0 BDAERO Cn1cnnc1S[C@H]1CCCC[C@H]1C[NH3+] ZINC000035724148 180798075 /nfs/dbraw/zinc/79/80/75/180798075.db2.gz LBIVFUGJKHHKCG-IUCAKERBSA-N 1 0 226.349 1.425 10 0 BDAERO C[C@]1([C@H]2C[C@H]([NH3+])CCO2)CCCS1 ZINC000307688797 352922492 /nfs/dbraw/zinc/92/24/92/352922492.db2.gz FXUATIQIIIUCIF-OPRDCNLKSA-N 1 0 201.335 1.778 10 0 BDAERO CO[C@H]1C[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000638804092 352978447 /nfs/dbraw/zinc/97/84/47/352978447.db2.gz BMJRUBGSDFGKOD-LPQWGVIOSA-N 1 0 240.347 1.045 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCCC23CC3)C1 ZINC000638834397 353020334 /nfs/dbraw/zinc/02/03/34/353020334.db2.gz PBKQEOSJEYVNHF-AXFHLTTASA-N 1 0 222.332 1.563 10 0 BDAERO C[C@@]1(C(=O)N[C@@H]2CCCC23CC3)CCCC[NH2+]1 ZINC000638835466 353020977 /nfs/dbraw/zinc/02/09/77/353020977.db2.gz WPSPYHZFRKYUEH-YPMHNXCESA-N 1 0 236.359 1.968 10 0 BDAERO Cc1nn(C2CC[NH+](C)CC2)c(C)c1N ZINC000083257067 538106928 /nfs/dbraw/zinc/10/69/28/538106928.db2.gz KOSCDZIZVAEPHS-UHFFFAOYSA-N 1 0 208.309 1.349 10 0 BDAERO CCCC1(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000638911377 353076522 /nfs/dbraw/zinc/07/65/22/353076522.db2.gz GUGNJIGOFPVSPA-QWRGUYRKSA-N 1 0 224.348 1.620 10 0 BDAERO C[C@@H]1CN(C(=O)C2CC=CC2)C[C@@H]1C[NH3+] ZINC000638901343 353062909 /nfs/dbraw/zinc/06/29/09/353062909.db2.gz JOTOVZIYHFSREE-KOLCDFICSA-N 1 0 208.305 1.006 10 0 BDAERO CC(C)([NH3+])C(=O)Nc1ncc(Cl)s1 ZINC000307282573 353066430 /nfs/dbraw/zinc/06/64/30/353066430.db2.gz HOCBZOQTDBKOIZ-UHFFFAOYSA-N 1 0 219.697 1.472 10 0 BDAERO C[C@H]1CN(C(=O)CCC2CC2)C[C@@H]1C[NH3+] ZINC000638916153 353071544 /nfs/dbraw/zinc/07/15/44/353071544.db2.gz RGEJYCCJLCGWCT-ONGXEEELSA-N 1 0 210.321 1.230 10 0 BDAERO CCc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638884285 353051246 /nfs/dbraw/zinc/05/12/46/353051246.db2.gz GVIHGIFRRQQIHW-RISCZKNCSA-N 1 0 246.354 1.916 10 0 BDAERO C[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000638884777 353052034 /nfs/dbraw/zinc/05/20/34/353052034.db2.gz JSMKGUBYLDQOFJ-JQWIXIFHSA-N 1 0 218.300 1.353 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@]1(F)c1ccns1 ZINC000307064123 353052685 /nfs/dbraw/zinc/05/26/85/353052685.db2.gz PPGOPZHSIBPPEE-VXNVDRBHSA-N 1 0 200.282 1.937 10 0 BDAERO Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000638886732 353053279 /nfs/dbraw/zinc/05/32/79/353053279.db2.gz RXVQXYRQHLQLEY-GXTWGEPZSA-N 1 0 246.354 1.970 10 0 BDAERO C[C@H]1CN(C(=O)C2(C)CCCC2)C[C@@H]1C[NH3+] ZINC000638886878 353054018 /nfs/dbraw/zinc/05/40/18/353054018.db2.gz JPKADMBSLGVKNY-QWRGUYRKSA-N 1 0 224.348 1.620 10 0 BDAERO Cc1ccncc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638888974 353054150 /nfs/dbraw/zinc/05/41/50/353054150.db2.gz BTEORKTWEUGMPR-GHMZBOCLSA-N 1 0 233.315 1.057 10 0 BDAERO O=C(c1cccnc1)C12CCC(CC1)[NH2+]2 ZINC000140002849 353106723 /nfs/dbraw/zinc/10/67/23/353106723.db2.gz WLDXKDKKIXXYEE-UHFFFAOYSA-N 1 0 202.257 1.549 10 0 BDAERO Cc1nccc(OC2CC([NH3+])C2)c1Cl ZINC000307730490 353117627 /nfs/dbraw/zinc/11/76/27/353117627.db2.gz IFQVACYCQLNICY-UHFFFAOYSA-N 1 0 212.680 1.912 10 0 BDAERO C[C@@H]1CC[N@@H+](C2CSC2)C[C@@H]1C[NH3+] ZINC000307552754 353083747 /nfs/dbraw/zinc/08/37/47/353083747.db2.gz CVLRKPDVOFCODL-BDAKNGLRSA-N 1 0 200.351 1.019 10 0 BDAERO CC1([C@H]([NH3+])Cc2csnn2)CCCC1 ZINC000307705591 353097613 /nfs/dbraw/zinc/09/76/13/353097613.db2.gz YTCISFTWPWGMHE-SECBINFHSA-N 1 0 211.334 1.988 10 0 BDAERO Cc1ccc([C@H]([NH3+])Cn2cccn2)s1 ZINC000059108131 353100671 /nfs/dbraw/zinc/10/06/71/353100671.db2.gz FSMPMWFXCMPHBB-SECBINFHSA-N 1 0 207.302 1.953 10 0 BDAERO C[C@@H]1SCCS[C@@H]1[C@@H]([NH3+])C1=COCC1 ZINC000307751971 353128571 /nfs/dbraw/zinc/12/85/71/353128571.db2.gz QBFQJPLFPZRHAG-HGNGGELXSA-N 1 0 231.386 1.855 10 0 BDAERO C[C@@H](O)C[NH2+][C@H]1CSc2ccccc21 ZINC000129451585 353128932 /nfs/dbraw/zinc/12/89/32/353128932.db2.gz JTVZHUZEIBCAGH-SCZZXKLOSA-N 1 0 209.314 1.804 10 0 BDAERO C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCSC1 ZINC000405262384 353154534 /nfs/dbraw/zinc/15/45/34/353154534.db2.gz NWGHQPQWGZAPRQ-LPEHRKFASA-N 1 0 201.335 1.364 10 0 BDAERO CCc1nc(CC[NH2+]C[C@@H]2C[C@@H]2C)no1 ZINC000336760213 353171433 /nfs/dbraw/zinc/17/14/33/353171433.db2.gz LPKQWLPQEYDWGO-IUCAKERBSA-N 1 0 209.293 1.420 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000638975503 353182473 /nfs/dbraw/zinc/18/24/73/353182473.db2.gz ZXIZKJRRPNVRHH-MNXVOIDGSA-N 1 0 236.359 1.823 10 0 BDAERO [NH3+]C1CCC(C(=O)N[C@@]23C[C@@H]2CCCC3)CC1 ZINC000638978222 353183679 /nfs/dbraw/zinc/18/36/79/353183679.db2.gz YFVLXSNNNOIYMF-KMMRNIFNSA-N 1 0 236.359 1.953 10 0 BDAERO CCCCS(=O)(=O)NC[C@H]1CCCC[NH2+]C1 ZINC000309266785 538111125 /nfs/dbraw/zinc/11/11/25/538111125.db2.gz CWWKIOWYWMXUSO-NSHDSACASA-N 1 0 248.392 1.096 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2csc(C)c2)C1 ZINC000638994066 353228136 /nfs/dbraw/zinc/22/81/36/353228136.db2.gz HNDHVSJZDRHLKV-NXEZZACHSA-N 1 0 240.328 1.372 10 0 BDAERO CCN1CCC[C@@H]([NH3+])[C@@H]1c1cscn1 ZINC000126924603 353261128 /nfs/dbraw/zinc/26/11/28/353261128.db2.gz SXXVXLJAWRQTET-PSASIEDQSA-N 1 0 211.334 1.627 10 0 BDAERO CC[C@@H]([NH2+][C@@H](CCO)COC)C(C)(C)C ZINC000336769332 353285020 /nfs/dbraw/zinc/28/50/20/353285020.db2.gz UUNNZUYSKJAVRW-WDEREUQCSA-N 1 0 217.353 1.798 10 0 BDAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000309550313 180935882 /nfs/dbraw/zinc/93/58/82/180935882.db2.gz FRRNECSWMOZEMG-TUAOUCFPSA-N 1 0 231.311 1.520 10 0 BDAERO COC(=O)[C@H](C[NH3+])C1C2CC3CC(C2)CC1C3 ZINC000216584839 538115875 /nfs/dbraw/zinc/11/58/75/538115875.db2.gz IJIXNKHEVWMPBG-RVTXZMPXSA-N 1 0 237.343 1.807 10 0 BDAERO C[C@@H]1C[C@H](C)C[C@@]([NH2+]C2CC2)(C(N)=O)C1 ZINC000252211974 363219879 /nfs/dbraw/zinc/21/98/79/363219879.db2.gz YITOKTKIZQSALQ-BZBKMWRSSA-N 1 0 210.321 1.419 10 0 BDAERO CC(C)[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000132082883 353374533 /nfs/dbraw/zinc/37/45/33/353374533.db2.gz CJSMCRFUSDLTBK-NXEZZACHSA-N 1 0 219.350 1.340 10 0 BDAERO [NH3+]C[C@]1([C@H]2CCSC2)CCCS1 ZINC000405461577 353497279 /nfs/dbraw/zinc/49/72/79/353497279.db2.gz ITDWYVYLTWCBNN-IUCAKERBSA-N 1 0 203.376 1.964 10 0 BDAERO C1C[C@@H](NC2=[NH+]CCCS2)CS1 ZINC000231360073 353591575 /nfs/dbraw/zinc/59/15/75/353591575.db2.gz FJIGOVJHRBMKSJ-SSDOTTSWSA-N 1 0 202.348 1.574 10 0 BDAERO C[C@@H]([NH3+])c1ccccc1OCC(=O)N1CCCC1 ZINC000022166541 188463592 /nfs/dbraw/zinc/46/35/92/188463592.db2.gz KSJMPZUFOFQYJG-LLVKDONJSA-N 1 0 248.326 1.708 10 0 BDAERO CC(C)N(CC(N)=O)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042902418 188478540 /nfs/dbraw/zinc/47/85/40/188478540.db2.gz GGKFTWWVHWRBQO-RISCZKNCSA-N 1 0 249.358 1.271 10 0 BDAERO OCC[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083353665 188479292 /nfs/dbraw/zinc/47/92/92/188479292.db2.gz SSICMXCTHXRGEF-UHFFFAOYSA-N 1 0 224.691 1.903 10 0 BDAERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@H](C)C1 ZINC000252438722 363249868 /nfs/dbraw/zinc/24/98/68/363249868.db2.gz FURRTVJIVZPEGY-DTWKUNHWSA-N 1 0 200.351 1.783 10 0 BDAERO Fc1cccc2[nH]c([C@H]3C[NH2+]CCO3)nc21 ZINC000043705112 181008094 /nfs/dbraw/zinc/00/80/94/181008094.db2.gz UUTIKRUVBFPZGU-SECBINFHSA-N 1 0 221.235 1.363 10 0 BDAERO Fc1cccnc1OC[C@H]1CCCC[NH2+]1 ZINC000054701254 181016793 /nfs/dbraw/zinc/01/67/93/181016793.db2.gz VQJLCZAVUDADAK-SECBINFHSA-N 1 0 210.252 1.742 10 0 BDAERO CSc1ccc(CC[NH2+][C@H](C)CO)cc1 ZINC000098125008 188503198 /nfs/dbraw/zinc/50/31/98/188503198.db2.gz JEQBFGLXFGLWFB-SNVBAGLBSA-N 1 0 225.357 1.921 10 0 BDAERO C[NH2+]C1CCN(C/C(C)=C\Cl)CC1 ZINC000308106766 353885187 /nfs/dbraw/zinc/88/51/87/353885187.db2.gz HRTHSUFWDHCALF-CLFYSBASSA-N 1 0 202.729 1.813 10 0 BDAERO CCCn1cnnc1C[C@H]1CCC[NH2+]C1 ZINC000054497860 188535739 /nfs/dbraw/zinc/53/57/39/188535739.db2.gz BQLSPBFRCCBYDP-SNVBAGLBSA-N 1 0 208.309 1.230 10 0 BDAERO CC(C)=CC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000231467250 363344796 /nfs/dbraw/zinc/34/47/96/363344796.db2.gz LZVHTXRDUHXWAR-NSHDSACASA-N 1 0 210.321 1.553 10 0 BDAERO N#Cc1ccc(NC[C@H]2C[NH2+]CCCO2)c(F)c1 ZINC000390235371 354199521 /nfs/dbraw/zinc/19/95/21/354199521.db2.gz QIBRSBCVQSYUIJ-LLVKDONJSA-N 1 0 249.289 1.488 10 0 BDAERO C[C@@H]1OCC[C@@]1(C)[NH2+][C@H]1CCSC1 ZINC000308136263 354202432 /nfs/dbraw/zinc/20/24/32/354202432.db2.gz OKAXHNSCRLDXGK-LPEHRKFASA-N 1 0 201.335 1.649 10 0 BDAERO NC(=O)[C@@]1(O)CCC[N@H+](CC2CCC2)C1 ZINC000334747947 354472204 /nfs/dbraw/zinc/47/22/04/354472204.db2.gz KVBPYHCNLZOCRH-LLVKDONJSA-N 1 0 212.293 1.149 10 0 BDAERO CC1(C)[C@H]([NH2+]CCCCO)[C@H]2CCO[C@@H]21 ZINC000232815838 363384780 /nfs/dbraw/zinc/38/47/80/363384780.db2.gz GDVONZVXLIQACI-MXWKQRLJSA-N 1 0 213.321 1.162 10 0 BDAERO Cc1occc1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235376433 363442594 /nfs/dbraw/zinc/44/25/94/363442594.db2.gz LFZOYYNTEUVGIQ-XCBNKYQSSA-N 1 0 208.261 1.007 10 0 BDAERO O[C@H](C[N@@H+]1C[C@H]2CCC[C@H]21)CC(F)(F)F ZINC000346443706 354940371 /nfs/dbraw/zinc/94/03/71/354940371.db2.gz KFDLVQUHCWNQEM-HRDYMLBCSA-N 1 0 223.238 1.784 10 0 BDAERO CC(C)c1nccnc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000413167279 191359702 /nfs/dbraw/zinc/35/97/02/191359702.db2.gz VGPRUPDIQMHWQK-RYUDHWBXSA-N 1 0 248.374 1.917 10 0 BDAERO CC(C)c1nccnc1NC1CC[NH+](C)CC1 ZINC000413032870 191352191 /nfs/dbraw/zinc/35/21/91/191352191.db2.gz LKXIQFAHRBCXIN-UHFFFAOYSA-N 1 0 234.347 1.528 10 0 BDAERO NC(=[NH2+])CCCCn1nnc(-c2ccccc2)n1 ZINC000049579830 181186970 /nfs/dbraw/zinc/18/69/70/181186970.db2.gz KAEVCGJMQMXDST-UHFFFAOYSA-N 1 0 244.302 1.446 10 0 BDAERO NC(=[NH2+])CCCOCCc1ccccn1 ZINC000034958515 181186338 /nfs/dbraw/zinc/18/63/38/181186338.db2.gz GRYSAZSPJPGYAO-UHFFFAOYSA-N 1 0 207.277 1.357 10 0 BDAERO NC(=[NH2+])CCOCCOc1ccccc1 ZINC000019511796 181186749 /nfs/dbraw/zinc/18/67/49/181186749.db2.gz JZJXXUZUYUXZMP-UHFFFAOYSA-N 1 0 208.261 1.408 10 0 BDAERO NC(=[NH2+])CCN(c1ccccc1)c1cnccn1 ZINC000019474098 181186616 /nfs/dbraw/zinc/18/66/16/181186616.db2.gz OWBIWPSSEWNEHF-UHFFFAOYSA-N 1 0 241.298 1.941 10 0 BDAERO CCCNC1=[NH+]CCN(C(=O)OC(C)(C)C)C1 ZINC000233085927 355372372 /nfs/dbraw/zinc/37/23/72/355372372.db2.gz QVMGZGULIBWDEL-UHFFFAOYSA-N 1 0 241.335 1.635 10 0 BDAERO NC(=[NH2+])c1ccc(-n2nnc3ccccc32)nc1 ZINC000034973575 181194355 /nfs/dbraw/zinc/19/43/55/181194355.db2.gz RHGQDHJJXKWNFW-UHFFFAOYSA-N 1 0 238.254 1.100 10 0 BDAERO NC(=[NH2+])c1cc2c(nc1OC1CCC1)CCC2 ZINC000050520645 181194457 /nfs/dbraw/zinc/19/44/57/181194457.db2.gz BFJNJYNRRQWFLJ-UHFFFAOYSA-N 1 0 231.299 1.786 10 0 BDAERO NC(=[NH2+])c1cccc(Cc2ncccn2)c1 ZINC000027843630 181195951 /nfs/dbraw/zinc/19/59/51/181195951.db2.gz YRILPDMYSVJUBY-UHFFFAOYSA-N 1 0 212.256 1.351 10 0 BDAERO NC(=[NH2+])c1ccccc1OCCCn1ccnc1 ZINC000049328306 181196021 /nfs/dbraw/zinc/19/60/21/181196021.db2.gz SRNGDBPOZMZCEC-UHFFFAOYSA-N 1 0 244.298 1.636 10 0 BDAERO [NH2+]=C(Nc1ccccc1)N1CCC(CO)CC1 ZINC000052063656 181200357 /nfs/dbraw/zinc/20/03/57/181200357.db2.gz MAWKRHPXSQIFBR-UHFFFAOYSA-N 1 0 233.315 1.738 10 0 BDAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000040629653 358497177 /nfs/dbraw/zinc/49/71/77/358497177.db2.gz JFFYWQDTILSOGA-WCFLWFBJSA-N 1 0 248.326 1.241 10 0 BDAERO C[C@@H](C[NH3+])Sc1cc(N)cc(F)c1 ZINC000160246505 355660823 /nfs/dbraw/zinc/66/08/23/355660823.db2.gz YBYAYVQMAAZREQ-LURJTMIESA-N 1 0 200.282 1.847 10 0 BDAERO CC[N@@H+]1CC[C@H](N[C@H](C)c2nccn2C)C1 ZINC000389117694 355697994 /nfs/dbraw/zinc/69/79/94/355697994.db2.gz BOWKROGYXSOTLW-MNOVXSKESA-N 1 0 222.336 1.165 10 0 BDAERO [NH3+]C[C@H]1CO[C@@H](c2ncc(Cl)s2)O1 ZINC000223348488 355738781 /nfs/dbraw/zinc/73/87/81/355738781.db2.gz XKBCLNVZNZUKIB-MHTLYPKNSA-N 1 0 220.681 1.169 10 0 BDAERO OCC1CC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639335242 355767759 /nfs/dbraw/zinc/76/77/59/355767759.db2.gz OLDJLNYREJSHQP-OLBCXOKPSA-N 1 0 209.333 1.783 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639355308 355809245 /nfs/dbraw/zinc/80/92/45/355809245.db2.gz SBNUTWNGADWBQD-NAWOPXAZSA-N 1 0 225.332 1.162 10 0 BDAERO NC(=O)C1([NH2+]C2CC2)CCCCCCC1 ZINC000037870347 181214434 /nfs/dbraw/zinc/21/44/34/181214434.db2.gz VZUWDSKUADQKLW-UHFFFAOYSA-N 1 0 210.321 1.707 10 0 BDAERO C[C@H](C(N)=S)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223405072 355861510 /nfs/dbraw/zinc/86/15/10/355861510.db2.gz WMOIQWWPMWSNTQ-HTQZYQBOSA-N 1 0 216.350 1.160 10 0 BDAERO NC(=O)C1CCC(Nc2cc[nH+]cc2)CC1 ZINC000038092128 181216479 /nfs/dbraw/zinc/21/64/79/181216479.db2.gz KAOYIHKLPLJGHD-UHFFFAOYSA-N 1 0 219.288 1.538 10 0 BDAERO CN1CCC[C@H]([N@H+](C)[C@@H]2CCCC2=O)C1 ZINC000053246323 355869796 /nfs/dbraw/zinc/86/97/96/355869796.db2.gz QZNLOTVCKPBEBK-WDEREUQCSA-N 1 0 210.321 1.134 10 0 BDAERO NC(=O)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000036840668 181234858 /nfs/dbraw/zinc/23/48/58/181234858.db2.gz KYTSOTYHSLKTHR-UHFFFAOYSA-N 1 0 222.263 1.147 10 0 BDAERO NC(=O)CC[NH2+]Cc1cccc2cnccc21 ZINC000061125145 181225729 /nfs/dbraw/zinc/22/57/29/181225729.db2.gz SMIOLSWWRKSLNS-UHFFFAOYSA-N 1 0 229.283 1.200 10 0 BDAERO NC(=O)C[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000020577918 181241212 /nfs/dbraw/zinc/24/12/12/181241212.db2.gz SHULCBKTACHQLU-MRVPVSSYSA-N 1 0 232.205 1.581 10 0 BDAERO OC1(C[N@@H+]2CCO[C@@H](C3CC3)C2)CCC1 ZINC000336087723 134076839 /nfs/dbraw/zinc/07/68/39/134076839.db2.gz CMOHJYFQYBTMFE-LLVKDONJSA-N 1 0 211.305 1.012 10 0 BDAERO NC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000108052446 181251900 /nfs/dbraw/zinc/25/19/00/181251900.db2.gz XNXLCXRWICZMRN-GFCCVEGCSA-N 1 0 233.315 1.319 10 0 BDAERO CC(C)C1([NH2+]CC[C@H]2CCNC2=O)CC1 ZINC000379470723 358501061 /nfs/dbraw/zinc/50/10/61/358501061.db2.gz WUCGUEFRSBWHBK-SNVBAGLBSA-N 1 0 210.321 1.291 10 0 BDAERO [NH3+]C[C@@H](Nc1ncnc2[nH]ccc21)C1CCCC1 ZINC000420282159 192200178 /nfs/dbraw/zinc/20/01/78/192200178.db2.gz RYQVXGQJROUMAV-LLVKDONJSA-N 1 0 245.330 1.887 10 0 BDAERO CC(C)(C)OC(=O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324571078 356400734 /nfs/dbraw/zinc/40/07/34/356400734.db2.gz WPZPHIIHWBHMHJ-SNVBAGLBSA-N 1 0 245.363 1.715 10 0 BDAERO C[NH+](C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000117716326 356412944 /nfs/dbraw/zinc/41/29/44/356412944.db2.gz MGWVTGRKKDEHIA-LSDHHAIUSA-N 1 0 248.370 1.431 10 0 BDAERO CCSc1nnc(C)c(C)c1C(N)=[NH2+] ZINC000040291745 356416481 /nfs/dbraw/zinc/41/64/81/356416481.db2.gz CCELRTWUTDUUEG-UHFFFAOYSA-N 1 0 210.306 1.490 10 0 BDAERO COC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C(C)C ZINC000228160473 491091223 /nfs/dbraw/zinc/09/12/23/491091223.db2.gz VKBFNRCPXJONKO-UTUOFQBUSA-N 1 0 215.337 1.551 10 0 BDAERO NC(=O)[C@@]1([NH3+])CCCCc2ccccc21 ZINC000037870577 181275985 /nfs/dbraw/zinc/27/59/85/181275985.db2.gz IPGQCEYTUPJCGA-GFCCVEGCSA-N 1 0 204.273 1.052 10 0 BDAERO NC(=O)[C@H](COCC1CCCCC1)[NH2+]C1CC1 ZINC000052157406 181276933 /nfs/dbraw/zinc/27/69/33/181276933.db2.gz RISMRECFZBMJMB-LBPRGKRZSA-N 1 0 240.347 1.189 10 0 BDAERO CCc1nc(C)cc(N[C@H]2CC[N@@H+](CC)C2)n1 ZINC000389405930 356490471 /nfs/dbraw/zinc/49/04/71/356490471.db2.gz LVGMUXPWTSDEQN-NSHDSACASA-N 1 0 234.347 1.275 10 0 BDAERO C[C@@H]1[C@@H]2CN(Cc3ccccc3)C[C@]12[NH3+] ZINC000142001675 356466589 /nfs/dbraw/zinc/46/65/89/356466589.db2.gz HXQPSZLCWXFUED-WXHSDQCUSA-N 1 0 202.301 1.466 10 0 BDAERO NC(=O)[C@H]1C[NH2+]C[C@@H](c2ccccc2F)C1 ZINC000082162821 181283185 /nfs/dbraw/zinc/28/31/85/181283185.db2.gz AYOYUOMWWVLYQT-DTWKUNHWSA-N 1 0 222.263 1.004 10 0 BDAERO NC(=O)[C@H]1C[NH2+]C[C@H](c2ccccc2F)C1 ZINC000082162819 181283952 /nfs/dbraw/zinc/28/39/52/181283952.db2.gz AYOYUOMWWVLYQT-RKDXNWHRSA-N 1 0 222.263 1.004 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](Cc3ccns3)C[C@H]2C1 ZINC000639677447 356593138 /nfs/dbraw/zinc/59/31/38/356593138.db2.gz PJGZOSBYXCJJAC-HBNTYKKESA-N 1 0 238.356 1.736 10 0 BDAERO Cc1cnc(N[C@H]2CC[C@H](C)[NH2+]C2)nc1 ZINC000630091059 363494043 /nfs/dbraw/zinc/49/40/43/363494043.db2.gz FCMIZOFIAVCCKR-UWVGGRQHSA-N 1 0 206.293 1.337 10 0 BDAERO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]C(C)C ZINC000381557765 538468144 /nfs/dbraw/zinc/46/81/44/538468144.db2.gz PTILBXNKNHDGNH-QWRGUYRKSA-N 1 0 248.392 1.045 10 0 BDAERO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]C(C)C ZINC000381557766 538468177 /nfs/dbraw/zinc/46/81/77/538468177.db2.gz PTILBXNKNHDGNH-WDEREUQCSA-N 1 0 248.392 1.045 10 0 BDAERO C[C@H](C[NH3+])[C@@H](O)c1cncc(Br)c1 ZINC000125162224 538464295 /nfs/dbraw/zinc/46/42/95/538464295.db2.gz GFZHIJDFKZRKMX-HZGVNTEJSA-N 1 0 245.120 1.472 10 0 BDAERO CC[C@]1(C[NH3+])CN(C(=O)[C@@H](C)C(C)C)CCO1 ZINC000675059119 538482858 /nfs/dbraw/zinc/48/28/58/538482858.db2.gz KUQJQRQYOXEPHB-AAEUAGOBSA-N 1 0 242.363 1.245 10 0 BDAERO CCC[C@@]1(C[NH3+])CN(C(=O)C2(C)CC2)CCO1 ZINC000675059083 538483521 /nfs/dbraw/zinc/48/35/21/538483521.db2.gz JWDMRVWUGIBAKP-CYBMUJFWSA-N 1 0 240.347 1.143 10 0 BDAERO C[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(F)F ZINC000675051543 538475154 /nfs/dbraw/zinc/47/51/54/538475154.db2.gz UXXBLJGQJXVBHG-SSDOTTSWSA-N 1 0 238.278 1.754 10 0 BDAERO CCC[C@H](C)C(=O)N1CC([NH2+]C2CCC2)C1 ZINC000675055572 538475615 /nfs/dbraw/zinc/47/56/15/538475615.db2.gz WRYCBDQFEGGKMU-JTQLQIEISA-N 1 0 224.348 1.776 10 0 BDAERO CCCC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000675055870 538477139 /nfs/dbraw/zinc/47/71/39/538477139.db2.gz AOJNMQWMDLULNP-ZYHUDNBSSA-N 1 0 210.321 1.435 10 0 BDAERO Cc1cc(F)ccc1[C@H]1CC[NH2+]C[C@@H]1N ZINC000675056179 538477612 /nfs/dbraw/zinc/47/76/12/538477612.db2.gz LDLKJEYHKLFKTK-NEPJUHHUSA-N 1 0 208.280 1.538 10 0 BDAERO CC(C)(C)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 ZINC000675069905 538498934 /nfs/dbraw/zinc/49/89/34/538498934.db2.gz JMWNATQVNGGQCM-VPOLOUISSA-N 1 0 224.348 1.522 10 0 BDAERO CCOC[C@@H]1[NH2+]CCCn2cc(CC)nc21 ZINC000675069873 538499267 /nfs/dbraw/zinc/49/92/67/538499267.db2.gz YXEVVTJWDCYACY-NSHDSACASA-N 1 0 223.320 1.516 10 0 BDAERO CC(C)(C)NC(=O)N1CCC[C@@H]2C[C@@]21C[NH3+] ZINC000675070057 538500552 /nfs/dbraw/zinc/50/05/52/538500552.db2.gz KPRFFDABUBKFTG-BXKDBHETSA-N 1 0 225.336 1.308 10 0 BDAERO CC1(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C[NH3+])C[C@@H]23)CC1 ZINC000675070951 538501612 /nfs/dbraw/zinc/50/16/12/538501612.db2.gz UXSKWCLEFMJFGS-LMLFDSFASA-N 1 0 222.332 1.276 10 0 BDAERO CC1(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C[NH3+])C[C@H]23)CC1 ZINC000675070956 538501722 /nfs/dbraw/zinc/50/17/22/538501722.db2.gz UXSKWCLEFMJFGS-VPOLOUISSA-N 1 0 222.332 1.276 10 0 BDAERO CC1(C(=O)N2CCC[C@H]3C[C@]32C[NH3+])CC1 ZINC000675071206 538502074 /nfs/dbraw/zinc/50/20/74/538502074.db2.gz XNZVZRAUJXCTHK-CABZTGNLSA-N 1 0 208.305 1.126 10 0 BDAERO CCC(O)(CC)C[N@@H+]1CCS[C@@H](C)C1 ZINC000163008744 202141708 /nfs/dbraw/zinc/14/17/08/202141708.db2.gz IIJWABOMRWQQQE-JTQLQIEISA-N 1 0 217.378 1.975 10 0 BDAERO CC1(C(=O)Nc2nc(C[NH3+])cs2)CC1 ZINC000675072762 538504115 /nfs/dbraw/zinc/50/41/15/538504115.db2.gz HGCUCECPDFCRQI-UHFFFAOYSA-N 1 0 211.290 1.340 10 0 BDAERO COc1ncccc1-c1ccc(C[NH3+])c(F)n1 ZINC000675073123 538505394 /nfs/dbraw/zinc/50/53/94/538505394.db2.gz LMVFTAWMGWTXCY-UHFFFAOYSA-N 1 0 233.246 1.750 10 0 BDAERO COCCC(=O)NC1(CCC[NH3+])CCCCC1 ZINC000675073763 538506378 /nfs/dbraw/zinc/50/63/78/538506378.db2.gz NAKABQRTEGJIQM-UHFFFAOYSA-N 1 0 242.363 1.581 10 0 BDAERO C[C@@H](C[NH3+])CNc1nnc(C(F)(F)F)s1 ZINC000168118964 134156235 /nfs/dbraw/zinc/15/62/35/134156235.db2.gz DFSCNFDOPTUQCI-BYPYZUCNSA-N 1 0 240.254 1.564 10 0 BDAERO CN1C[C@H]([NH2+]Cc2ccco2)C(C)(C)C1 ZINC000675076114 538510301 /nfs/dbraw/zinc/51/03/01/538510301.db2.gz UKUNNFYGPNDNFS-NSHDSACASA-N 1 0 208.305 1.709 10 0 BDAERO CC(C)CNC(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000675075965 538510761 /nfs/dbraw/zinc/51/07/61/538510761.db2.gz XWGLTJBUWFQXBW-UWVGGRQHSA-N 1 0 213.325 1.069 10 0 BDAERO Cc1cc(F)cc(C2=C[C@@H](O)C[NH2+]C2)c1 ZINC000675076300 538510947 /nfs/dbraw/zinc/51/09/47/538510947.db2.gz AQSRAHNFZWCGQA-GFCCVEGCSA-N 1 0 207.248 1.482 10 0 BDAERO CC(C)(C)C(=O)NC[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000675068867 538497613 /nfs/dbraw/zinc/49/76/13/538497613.db2.gz FHIIKYOYTDCHTM-DBIOUOCHSA-N 1 0 224.348 1.522 10 0 BDAERO C[C@@H]1[NH2+]CCCn2cc(-c3ccncc3)nc21 ZINC000675068949 538497735 /nfs/dbraw/zinc/49/77/35/538497735.db2.gz UHXVKARUNJEGAH-JTQLQIEISA-N 1 0 228.299 1.999 10 0 BDAERO Clc1cncc(OCC[NH+]2CCC2)c1 ZINC000675076536 538511194 /nfs/dbraw/zinc/51/11/94/538511194.db2.gz ONFXMOPXNRIPAT-UHFFFAOYSA-N 1 0 212.680 1.820 10 0 BDAERO N[C@@H]1C=C(Cc2ccc(Cl)s2)C[NH2+]C1 ZINC000675077582 538513618 /nfs/dbraw/zinc/51/36/18/538513618.db2.gz GHJJAAKOZKSDES-MRVPVSSYSA-N 1 0 228.748 1.801 10 0 BDAERO N[C@@H]1C=C(Cc2ccc(F)cc2)C[NH2+]C1 ZINC000675077585 538513625 /nfs/dbraw/zinc/51/36/25/538513625.db2.gz GIGKTJVXNFERRW-GFCCVEGCSA-N 1 0 206.264 1.225 10 0 BDAERO Cc1ccc(F)c(C2=C[C@@H](O)C[NH2+]C2)c1 ZINC000675077702 538513708 /nfs/dbraw/zinc/51/37/08/538513708.db2.gz QTEKTGAWYYBWLG-SNVBAGLBSA-N 1 0 207.248 1.482 10 0 BDAERO Cc1ccccc1-c1nnsc1C[NH3+] ZINC000083582865 538514595 /nfs/dbraw/zinc/51/45/95/538514595.db2.gz JLFDIHYZSONFHQ-UHFFFAOYSA-N 1 0 205.286 1.972 10 0 BDAERO O[C@@H]1C=C(Cc2ccsc2Cl)C[NH2+]C1 ZINC000675077901 538515299 /nfs/dbraw/zinc/51/52/99/538515299.db2.gz SVYCMLVYLZYPOQ-SECBINFHSA-N 1 0 229.732 1.835 10 0 BDAERO N[C@H]1C=C(Cc2ncccc2Cl)C[NH2+]C1 ZINC000675078076 538515452 /nfs/dbraw/zinc/51/54/52/538515452.db2.gz MBVAIFDURYJKCN-VIFPVBQESA-N 1 0 223.707 1.134 10 0 BDAERO [NH3+][C@@H]1C=C(c2ccsc2Cl)CNC1 ZINC000675078069 538515510 /nfs/dbraw/zinc/51/55/10/538515510.db2.gz MAVKGNJXYKYZNP-SSDOTTSWSA-N 1 0 214.721 1.715 10 0 BDAERO CC1(CC2=C[C@@H](N)C[NH2+]C2)CCOCC1 ZINC000675078449 538515735 /nfs/dbraw/zinc/51/57/35/538515735.db2.gz PUFHUBWDOKIDGI-LLVKDONJSA-N 1 0 210.321 1.050 10 0 BDAERO N[C@H]1C=C(CCc2ccsc2)C[NH2+]C1 ZINC000675078728 538515869 /nfs/dbraw/zinc/51/58/69/538515869.db2.gz RTLCHZSKCPRGJG-NSHDSACASA-N 1 0 208.330 1.538 10 0 BDAERO COc1ccc(C2=C[C@H]([NH3+])CNC2)s1 ZINC000675079389 538517958 /nfs/dbraw/zinc/51/79/58/538517958.db2.gz YFRYUBDZPHEIRE-QMMMGPOBSA-N 1 0 210.302 1.071 10 0 BDAERO F[C@H]1C[NH2+][C@H](c2ccc3c(c2)OCCO3)C1 ZINC000675082233 538523372 /nfs/dbraw/zinc/52/33/72/538523372.db2.gz FUHUUQVUPORYAW-ZJUUUORDSA-N 1 0 223.247 1.830 10 0 BDAERO O=C1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)N1 ZINC000125650432 538522803 /nfs/dbraw/zinc/52/28/03/538522803.db2.gz RQZUXUJDNVKQPW-LLVKDONJSA-N 1 0 240.253 1.333 10 0 BDAERO Cc1nc(C)c(CC2=C[C@@H](O)C[NH2+]C2)s1 ZINC000675077014 538512886 /nfs/dbraw/zinc/51/28/86/538512886.db2.gz ILPCNBQMDBNTKZ-SNVBAGLBSA-N 1 0 224.329 1.193 10 0 BDAERO CC(C)=C(F)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248653453 535341103 /nfs/dbraw/zinc/34/11/03/535341103.db2.gz VPBBMJDFDWBNPP-LPEHRKFASA-N 1 0 226.295 1.446 10 0 BDAERO Cc1ncsc1[C@H]([NH3+])c1cnn(C)c1 ZINC000160395060 356699446 /nfs/dbraw/zinc/69/94/46/356699446.db2.gz HFYTZZKESIZFPY-MRVPVSSYSA-N 1 0 208.290 1.233 10 0 BDAERO CCc1nc([C@@H](O)[C@@H](C)C[NH3+])cs1 ZINC000382264612 538559451 /nfs/dbraw/zinc/55/94/51/538559451.db2.gz XVALSZFKUIJQDG-RCOVLWMOSA-N 1 0 200.307 1.334 10 0 BDAERO CC(C)c1nc(CC2CC[NH2+]CC2)n(C)n1 ZINC000086573499 538557594 /nfs/dbraw/zinc/55/75/94/538557594.db2.gz UPQANAKGWYWNRN-UHFFFAOYSA-N 1 0 222.336 1.481 10 0 BDAERO C[NH+](C)CCCn1cc(Br)c(N)n1 ZINC000125799610 538526077 /nfs/dbraw/zinc/52/60/77/538526077.db2.gz LXKLJRCQZDXKGK-UHFFFAOYSA-N 1 0 247.140 1.180 10 0 BDAERO CC(C)Oc1ccc(N2C[C@@H]([NH3+])CCC2=O)cc1 ZINC000084080061 538527287 /nfs/dbraw/zinc/52/72/87/538527287.db2.gz DXSLJGHQHFINAE-NSHDSACASA-N 1 0 248.326 1.928 10 0 BDAERO C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)C1CCC1 ZINC000129788136 538577272 /nfs/dbraw/zinc/57/72/72/538577272.db2.gz QBLVVGDPQAGBQN-GXSJLCMTSA-N 1 0 210.321 1.148 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)C(C)(C)C ZINC000129799972 538578828 /nfs/dbraw/zinc/57/88/28/538578828.db2.gz XIKVBJSDNIENRH-NXEZZACHSA-N 1 0 212.337 1.394 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H](CC(=O)C(F)(F)F)C1 ZINC000130343366 538587524 /nfs/dbraw/zinc/58/75/24/538587524.db2.gz MWLUNMZEMJUPMS-RNFRBKRXSA-N 1 0 209.211 1.896 10 0 BDAERO Cc1ccc(C[NH2+][C@@H](C(N)=O)C(C)C)c(C)c1 ZINC000223962324 538597555 /nfs/dbraw/zinc/59/75/55/538597555.db2.gz SOTRXYATQJVRLV-CYBMUJFWSA-N 1 0 234.343 1.903 10 0 BDAERO CN1CC[C@@H]([NH3+])C[C@H]1c1cccc(F)c1 ZINC000257582184 538738039 /nfs/dbraw/zinc/73/80/39/538738039.db2.gz OLZBJSJPWLDTHY-NEPJUHHUSA-N 1 0 208.280 1.920 10 0 BDAERO CCN1CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000389537769 356982408 /nfs/dbraw/zinc/98/24/08/356982408.db2.gz JODBXVXWTFLSPK-AXFHLTTASA-N 1 0 200.326 1.094 10 0 BDAERO CCN1CCC[C@H]1C[N@H+](C)C[C@](C)(O)CC ZINC000119425888 357024270 /nfs/dbraw/zinc/02/42/70/357024270.db2.gz BCMWBSNVFGGUMX-QWHCGFSZSA-N 1 0 228.380 1.564 10 0 BDAERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccnc2cccnc21 ZINC000389749374 357025221 /nfs/dbraw/zinc/02/52/21/357025221.db2.gz JGLFTJRSINWMFT-GWCFXTLKSA-N 1 0 242.326 1.462 10 0 BDAERO O=C1CCCC[C@H]1[N@@H+]1CCC[C@@H](CO)C1 ZINC000223750387 357044931 /nfs/dbraw/zinc/04/49/31/357044931.db2.gz NVQYRTDDRCYSBG-GHMZBOCLSA-N 1 0 211.305 1.202 10 0 BDAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncnc2c1CCC2 ZINC000389706125 357016659 /nfs/dbraw/zinc/01/66/59/357016659.db2.gz NZSOWSPQLQAPPG-BXKDBHETSA-N 1 0 232.331 1.375 10 0 BDAERO CNC(=[NH2+])[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300026571 357172865 /nfs/dbraw/zinc/17/28/65/357172865.db2.gz JPBWMXGVPNBZPY-VQVTYTSYSA-N 1 0 204.364 1.809 10 0 BDAERO O=Cc1cccn1[C@@H]1C[NH+]2CCC1CC2 ZINC000035431342 357241479 /nfs/dbraw/zinc/24/14/79/357241479.db2.gz CEYRSNMWUWIPFX-GFCCVEGCSA-N 1 0 204.273 1.567 10 0 BDAERO C[C@@H]1CN(C/C(Cl)=C/Cl)C[C@H]1[NH3+] ZINC000300049105 357177486 /nfs/dbraw/zinc/17/74/86/357177486.db2.gz PISAOTZGNOATPK-LNKIXFSISA-N 1 0 209.120 1.584 10 0 BDAERO CCC([NH3+])(CC)CNC(=O)C1CC(C)C1 ZINC000393781842 357298575 /nfs/dbraw/zinc/29/85/75/357298575.db2.gz PZBPEJJYHLOKKT-UHFFFAOYSA-N 1 0 212.337 1.666 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC1(CC)CCOCC1 ZINC000389553609 538822050 /nfs/dbraw/zinc/82/20/50/538822050.db2.gz SPMJGYXNMITVRJ-SNVBAGLBSA-N 1 0 228.336 1.189 10 0 BDAERO O=C(NC1C[NH2+]C1)[C@H]1CCCc2sccc21 ZINC000168436470 134198076 /nfs/dbraw/zinc/19/80/76/134198076.db2.gz UBZIKLOSAAQXIL-JTQLQIEISA-N 1 0 236.340 1.256 10 0 BDAERO [NH3+][C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000039941422 491110680 /nfs/dbraw/zinc/11/06/80/491110680.db2.gz UUZCGULQGOPKJA-BDAKNGLRSA-N 1 0 218.083 1.910 10 0 BDAERO CCc1nnc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000392475890 357508001 /nfs/dbraw/zinc/50/80/01/357508001.db2.gz XZLAEDYHXBHAOJ-IVZWLZJFSA-N 1 0 220.320 1.645 10 0 BDAERO C[C@H]([NH2+]CC1CCC(C)CC1)C(=O)N(C)C ZINC000063145522 357534374 /nfs/dbraw/zinc/53/43/74/357534374.db2.gz JWEIBRVILMFSMR-CXQJBGSLSA-N 1 0 226.364 1.879 10 0 BDAERO CC1CCC(C[NH2+]CC(=O)NCC2CC2)CC1 ZINC000063145467 357534578 /nfs/dbraw/zinc/53/45/78/357534578.db2.gz PRVUTRDRSQGOKI-UHFFFAOYSA-N 1 0 238.375 1.929 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOCC(F)F ZINC000189311336 357631120 /nfs/dbraw/zinc/63/11/20/357631120.db2.gz RNKAYVMPLXYZNB-GHMZBOCLSA-N 1 0 248.317 1.437 10 0 BDAERO C[C@@H]1C(=O)NCCCN1C/C=C/c1ccccc1 ZINC000189094061 357604077 /nfs/dbraw/zinc/60/40/77/357604077.db2.gz IXQIRKCSWANMKG-OMDQHUAHSA-N 1 0 244.338 1.910 10 0 BDAERO O=C(C[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000229132019 538881351 /nfs/dbraw/zinc/88/13/51/538881351.db2.gz YRLBMOVQYUDSQG-FXQIFTODSA-N 1 0 221.222 1.896 10 0 BDAERO CC[C@@]1(N)C[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000685945799 538886750 /nfs/dbraw/zinc/88/67/50/538886750.db2.gz BFDIPAVCMBFFLE-CHWSQXEVSA-N 1 0 220.316 1.490 10 0 BDAERO Cc1cc(C)cc([C@H]2C[NH2+]C[C@@]2(C)N)c1 ZINC000685945869 538887033 /nfs/dbraw/zinc/88/70/33/538887033.db2.gz CYNDZIVRLDWZLB-CHWSQXEVSA-N 1 0 204.317 1.708 10 0 BDAERO CCC(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000685945794 538887294 /nfs/dbraw/zinc/88/72/94/538887294.db2.gz BEFHKDXEEZJQDH-YUMQZZPRSA-N 1 0 238.253 1.443 10 0 BDAERO CC(C)(C)OC(=O)c1nccc(C[NH3+])c1F ZINC000685946006 538887491 /nfs/dbraw/zinc/88/74/91/538887491.db2.gz IWPOYVVLOXVNQN-UHFFFAOYSA-N 1 0 226.251 1.635 10 0 BDAERO CC(C)(C)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000685946021 538887596 /nfs/dbraw/zinc/88/75/96/538887596.db2.gz BUBQFXCVMXKKBX-SKDRFNHKSA-N 1 0 210.321 1.372 10 0 BDAERO CCCC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000685946054 538887723 /nfs/dbraw/zinc/88/77/23/538887723.db2.gz CLVVSQFDIDYROD-LLVKDONJSA-N 1 0 224.348 1.907 10 0 BDAERO CC[C@@]1(NC(=O)C2CCC2)CCC[NH2+]C1 ZINC000685946921 538887897 /nfs/dbraw/zinc/88/78/97/538887897.db2.gz GWDDCRSNXOJPCO-GFCCVEGCSA-N 1 0 210.321 1.435 10 0 BDAERO COC(=O)c1ccc(C[NH3+])c2ncccc12 ZINC000685946464 538888284 /nfs/dbraw/zinc/88/82/84/538888284.db2.gz ASKHRSJNXQLQFF-UHFFFAOYSA-N 1 0 216.240 1.480 10 0 BDAERO CCOC(=O)C1([C@@H]([NH3+])CC)CCOCC1 ZINC000685948008 538889515 /nfs/dbraw/zinc/88/95/15/538889515.db2.gz UYZIUMIBGZQQNJ-VIFPVBQESA-N 1 0 215.293 1.084 10 0 BDAERO CCCC(=O)N[C@H]1CCCC12CC[NH2+]CC2 ZINC000685947686 538889844 /nfs/dbraw/zinc/88/98/44/538889844.db2.gz YMQITWPUNOJXOT-NSHDSACASA-N 1 0 224.348 1.825 10 0 BDAERO CCCCS(=O)(=O)N1CCC[C@]([NH3+])(CC)C1 ZINC000685948103 538890126 /nfs/dbraw/zinc/89/01/26/538890126.db2.gz XTQMVJUDKVNISH-LLVKDONJSA-N 1 0 248.392 1.320 10 0 BDAERO CC(C)[C@@H](C)C(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000685948175 538890200 /nfs/dbraw/zinc/89/02/00/538890200.db2.gz ZKHZSIQXLCMZAM-LLVKDONJSA-N 1 0 224.348 1.491 10 0 BDAERO C[C@@H]1CCC[N@@H+]([C@H]2CCNC[C@H]2F)C1 ZINC000685948406 538890786 /nfs/dbraw/zinc/89/07/86/538890786.db2.gz MPFYRNVGFNRMJT-MXWKQRLJSA-N 1 0 200.301 1.418 10 0 BDAERO O=C(CC1CC1)N[C@@]12CC[NH2+][C@@H]1CCCC2 ZINC000685949052 538891712 /nfs/dbraw/zinc/89/17/12/538891712.db2.gz JQKIIQPVHOTGHF-YPMHNXCESA-N 1 0 222.332 1.577 10 0 BDAERO CCCC(=O)N1CC[C@@]2([NH3+])CCCC[C@@H]12 ZINC000685948791 538891740 /nfs/dbraw/zinc/89/17/40/538891740.db2.gz FVNONKHEUBIPLI-PWSUYJOCSA-N 1 0 210.321 1.659 10 0 BDAERO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC1CC1)C2 ZINC000685948992 538892000 /nfs/dbraw/zinc/89/20/00/538892000.db2.gz HNRWSJBGSSVQMS-AXFHLTTASA-N 1 0 208.305 1.125 10 0 BDAERO CC(C)CC(=O)N[C@]12CC[NH2+][C@H]1CCCC2 ZINC000685949091 538892012 /nfs/dbraw/zinc/89/20/12/538892012.db2.gz KOMOMCIXVVZGDR-WCQYABFASA-N 1 0 224.348 1.823 10 0 BDAERO CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)[C@H]1CC1(C)C ZINC000397573977 363587242 /nfs/dbraw/zinc/58/72/42/363587242.db2.gz FOIPSSPLYJQLDF-YTWAJWBKSA-N 1 0 213.321 1.160 10 0 BDAERO [NH3+][C@@]12CCN(C(=O)CC3CC3)[C@@H]1CCCC2 ZINC000685949150 538892620 /nfs/dbraw/zinc/89/26/20/538892620.db2.gz KPEWQPDOJATUPU-YPMHNXCESA-N 1 0 222.332 1.659 10 0 BDAERO CC(C)CC(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949587 538893042 /nfs/dbraw/zinc/89/30/42/538893042.db2.gz UNDTUYSGLSUZCS-UHFFFAOYSA-N 1 0 232.274 1.100 10 0 BDAERO COC12CCC(C[NH2+]C(C)C)(CC1)C(=O)C2 ZINC000685950043 538893671 /nfs/dbraw/zinc/89/36/71/538893671.db2.gz FZUFPHIZIDSHPA-UHFFFAOYSA-N 1 0 225.332 1.903 10 0 BDAERO C[C@@H]1CN(C2[C@H](C)C[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000685950962 538894461 /nfs/dbraw/zinc/89/44/61/538894461.db2.gz JRXAFXCGPCZSIK-KKOKHZNYSA-N 1 0 226.364 1.340 10 0 BDAERO Nc1cccc(C2=CC[C@@]3(C[C@@H]3[NH3+])CC2)n1 ZINC000685950788 538894565 /nfs/dbraw/zinc/89/45/65/538894565.db2.gz ZDSOYLCFSNJZPT-AAEUAGOBSA-N 1 0 215.300 1.949 10 0 BDAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000397737243 357674095 /nfs/dbraw/zinc/67/40/95/357674095.db2.gz UAAKVGKJKGLYJH-SDDRHHMPSA-N 1 0 247.404 1.648 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCCO[C@@H](C)C1 ZINC000685951792 538895524 /nfs/dbraw/zinc/89/55/24/538895524.db2.gz YPAMEBWHTJDONY-QNWHQSFQSA-N 1 0 226.364 1.341 10 0 BDAERO 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CC[C@H](C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000191871025 357811291 /nfs/dbraw/zinc/81/12/91/357811291.db2.gz HXXVRXOAXISEOV-RYUDHWBXSA-N 1 0 242.363 1.212 10 0 BDAERO Cn1cc([C@@H]2CCN(Cc3ncccn3)C2)cn1 ZINC000192029363 357814002 /nfs/dbraw/zinc/81/40/02/357814002.db2.gz LBOSVYPKCAHOCG-LLVKDONJSA-N 1 0 243.314 1.200 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncccn1 ZINC000192119146 357823611 /nfs/dbraw/zinc/82/36/11/357823611.db2.gz RGJIULBKFLWLHO-CHWSQXEVSA-N 1 0 246.358 1.535 10 0 BDAERO Cc1c[nH+]ccc1NC[C@@H]1CN(C2CC2)CCO1 ZINC000192575448 357844551 /nfs/dbraw/zinc/84/45/51/357844551.db2.gz LIEAODCISAPVCM-CYBMUJFWSA-N 1 0 247.342 1.665 10 0 BDAERO CC[C@@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000398503373 357886358 /nfs/dbraw/zinc/88/63/58/357886358.db2.gz MVGOMCMCUQOPLM-IJLUTSLNSA-N 1 0 215.337 1.431 10 0 BDAERO C[C@H](O)C[C@H](C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000398682169 357889455 /nfs/dbraw/zinc/88/94/55/357889455.db2.gz OAGIMXBELSUAEI-GARJFASQSA-N 1 0 217.353 1.390 10 0 BDAERO 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CCO[C@@H]1C[C@H](c2ccncc2)CC[NH2+]1 ZINC000584645018 358330225 /nfs/dbraw/zinc/33/02/25/358330225.db2.gz HISHWHZAPCRJKE-VXGBXAGGSA-N 1 0 206.289 1.911 10 0 BDAERO CCO[C@@H]1C[C@@H](c2ccncc2)CC[NH2+]1 ZINC000584645016 358330250 /nfs/dbraw/zinc/33/02/50/358330250.db2.gz HISHWHZAPCRJKE-NWDGAFQWSA-N 1 0 206.289 1.911 10 0 BDAERO OC1(C[NH2+]CC[C@H]2CC2(F)F)CCOCC1 ZINC000622016945 370664459 /nfs/dbraw/zinc/66/44/59/370664459.db2.gz VSHKDJVYZLORHW-VIFPVBQESA-N 1 0 235.274 1.163 10 0 BDAERO CCN(CC)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226459660 358340062 /nfs/dbraw/zinc/34/00/62/358340062.db2.gz UTMJJCYWFBNKBA-NSHDSACASA-N 1 0 227.352 1.522 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)[C@@H]1C ZINC000227085096 358349259 /nfs/dbraw/zinc/34/92/59/358349259.db2.gz JMCSXCIZHQUZIG-NQBHXWOUSA-N 1 0 224.348 1.776 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCSC1 ZINC000228562973 358378121 /nfs/dbraw/zinc/37/81/21/358378121.db2.gz XTTBCEIXGQKXOG-VXGBXAGGSA-N 1 0 247.404 1.507 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000227425588 358356516 /nfs/dbraw/zinc/35/65/16/358356516.db2.gz BABHBMRAHXNUFT-XQHKEYJVSA-N 1 0 236.359 1.633 10 0 BDAERO C[C@]1(C(=O)N2CCC[C@@H]3CCC[C@H]32)CCC[NH2+]1 ZINC000228011771 358367392 /nfs/dbraw/zinc/36/73/92/358367392.db2.gz DXDVWWODSAAZQA-OUCADQQQSA-N 1 0 236.359 1.920 10 0 BDAERO CCC(CC)[C@H](O)C[NH2+]CC(C)(C)O ZINC000230606265 358408296 /nfs/dbraw/zinc/40/82/96/358408296.db2.gz ZACCXADXZBVJRH-SNVBAGLBSA-N 1 0 203.326 1.144 10 0 BDAERO CN(CCC[NH3+])c1nc(C(F)(F)F)ns1 ZINC000228768483 358385510 /nfs/dbraw/zinc/38/55/10/358385510.db2.gz XUVKKJMYQIPATI-UHFFFAOYSA-N 1 0 240.254 1.342 10 0 BDAERO O[C@@H]1CCCC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000045106979 358400363 /nfs/dbraw/zinc/40/03/63/358400363.db2.gz VVOQNHNLBYPIHE-CHWSQXEVSA-N 1 0 237.347 1.556 10 0 BDAERO COCC[C@H](COC)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309414250 358447164 /nfs/dbraw/zinc/44/71/64/358447164.db2.gz XCCGGYQHKKBAKK-GHMZBOCLSA-N 1 0 233.352 1.035 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCN[C@H]1C)[C@@H]1CCCOC1 ZINC000396619468 358449391 /nfs/dbraw/zinc/44/93/91/358449391.db2.gz UNJZOMMYXQIHRC-WUHRBBMRSA-N 1 0 226.364 1.532 10 0 BDAERO C[C@H](C[NH3+])N(C)c1nc2c(cccc2F)o1 ZINC000212549984 358603140 /nfs/dbraw/zinc/60/31/40/358603140.db2.gz HCDPLSQLXPYQPY-SSDOTTSWSA-N 1 0 223.251 1.750 10 0 BDAERO Cc1cc(C[N@H+](CCO)C2CCCC2)no1 ZINC000048284108 358624271 /nfs/dbraw/zinc/62/42/71/358624271.db2.gz WJNVTMJFLREOEU-UHFFFAOYSA-N 1 0 224.304 1.720 10 0 BDAERO CO[C@]1(C)CCC[N@@H+]([C@H]2CCCC2=O)C1 ZINC000300237664 358590136 /nfs/dbraw/zinc/59/01/36/358590136.db2.gz CFZROAXIYHZYRK-CMPLNLGQSA-N 1 0 211.305 1.609 10 0 BDAERO CNC(=[NH2+])NCc1ccc(-c2cc[nH]n2)cc1 ZINC000052020203 358771382 /nfs/dbraw/zinc/77/13/82/358771382.db2.gz VIGVDNNJNYTBRO-UHFFFAOYSA-N 1 0 229.287 1.320 10 0 BDAERO CO[C@H]1CCC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000050373991 358724610 /nfs/dbraw/zinc/72/46/10/358724610.db2.gz HDOHTZGYZHKJAM-RYUDHWBXSA-N 1 0 240.347 1.060 10 0 BDAERO OCCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000051020069 358742459 /nfs/dbraw/zinc/74/24/59/358742459.db2.gz XYAYWGRPDLVLKV-STQMWFEESA-N 1 0 227.348 1.792 10 0 BDAERO CC(C)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000134215223 358783879 /nfs/dbraw/zinc/78/38/79/358783879.db2.gz HMKACJIUELNAPF-SNVBAGLBSA-N 1 0 222.336 1.714 10 0 BDAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000134530143 358794581 /nfs/dbraw/zinc/79/45/81/358794581.db2.gz LGPQDXDYXSXHJD-UHFFFAOYSA-N 1 0 242.278 1.813 10 0 BDAERO Cc1cc(C)n(CC[NH2+][C@H](C)[C@@H]2CCCO2)n1 ZINC000053520839 358833338 /nfs/dbraw/zinc/83/33/38/358833338.db2.gz KBSXOVZTAGGGQX-OLZOCXBDSA-N 1 0 237.347 1.657 10 0 BDAERO CC(C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058911594 358916273 /nfs/dbraw/zinc/91/62/73/358916273.db2.gz LXAVZWKVQCGKSL-UHFFFAOYSA-N 1 0 224.348 1.729 10 0 BDAERO C[C@@H]1SCC[C@H]1[N@@H+]1CCC[C@H]1CN ZINC000300351476 358970360 /nfs/dbraw/zinc/97/03/60/358970360.db2.gz ANSQGVABADWSBS-LPEHRKFASA-N 1 0 200.351 1.304 10 0 BDAERO C[C@@H]1SCC[C@H]1NC1=[NH+]CCCS1 ZINC000306150829 358925958 /nfs/dbraw/zinc/92/59/58/358925958.db2.gz GMQDKLYBEYYIOU-JGVFFNPUSA-N 1 0 216.375 1.963 10 0 BDAERO CC(C)(C)OCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000061040682 358930662 /nfs/dbraw/zinc/93/06/62/358930662.db2.gz YMSNXIBLRBQNJS-UHFFFAOYSA-N 1 0 240.391 1.972 10 0 BDAERO O=C(c1ccc[nH]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605120 358934962 /nfs/dbraw/zinc/93/49/62/358934962.db2.gz IEZFMAKYUCTHAL-UHFFFAOYSA-N 1 0 233.315 1.325 10 0 BDAERO CNC(=[NH2+])N[C@H]1CCC[C@H](SC)C1 ZINC000300378004 358978140 /nfs/dbraw/zinc/97/81/40/358978140.db2.gz ARTFSULOLVSOGB-YUMQZZPRSA-N 1 0 201.339 1.404 10 0 BDAERO Cn1nnc(Br)c1[C@@H]1[C@@H]([NH3+])C1(C)C ZINC000306198882 359027201 /nfs/dbraw/zinc/02/72/01/359027201.db2.gz QIZDFDHISHNUPR-INEUFUBQSA-N 1 0 245.124 1.028 10 0 BDAERO C[C@H]1CSC[C@@]1(CN)[NH+]1CCCC1 ZINC000306200515 359028266 /nfs/dbraw/zinc/02/82/66/359028266.db2.gz LRNXVIFXCUMUOP-VHSXEESVSA-N 1 0 200.351 1.163 10 0 BDAERO C[C@@H]1CSC[C@@]1(CN)[NH+]1CCCC1 ZINC000306200513 359028431 /nfs/dbraw/zinc/02/84/31/359028431.db2.gz LRNXVIFXCUMUOP-NXEZZACHSA-N 1 0 200.351 1.163 10 0 BDAERO C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000300382543 358980270 /nfs/dbraw/zinc/98/02/70/358980270.db2.gz OGWRLRSDWWEUNS-AXFHLTTASA-N 1 0 215.362 1.897 10 0 BDAERO CS[C@@H]1CC[C@H](NC(=[NH2+])NC(C)C)C1 ZINC000300383797 358981063 /nfs/dbraw/zinc/98/10/63/358981063.db2.gz IFCQIFFKGLTODC-DTWKUNHWSA-N 1 0 215.366 1.793 10 0 BDAERO CO[C@H]1C[C@H](NC2=[NH+]CCS2)C1(C)C ZINC000300390316 358987541 /nfs/dbraw/zinc/98/75/41/358987541.db2.gz RFGFGRLLVNHHAG-YUMQZZPRSA-N 1 0 214.334 1.492 10 0 BDAERO C[C@H]1C[C@H](NN)C[N@@H+]1Cc1ccccc1 ZINC000306181280 358997002 /nfs/dbraw/zinc/99/70/02/358997002.db2.gz OJLGCOISBQWZLZ-JQWIXIFHSA-N 1 0 205.305 1.113 10 0 BDAERO CC1(NC(=[NH2+])NCc2ccccc2)CCOCC1 ZINC000306190391 359004596 /nfs/dbraw/zinc/00/45/96/359004596.db2.gz KXWYGZOZIBPXLC-UHFFFAOYSA-N 1 0 247.342 1.870 10 0 BDAERO CCCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246472408 359112184 /nfs/dbraw/zinc/11/21/84/359112184.db2.gz ZVHQJOFGAUFJAH-NEPJUHHUSA-N 1 0 241.379 1.814 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F ZINC000070558586 359059196 /nfs/dbraw/zinc/05/91/96/359059196.db2.gz XAPQUCVELRGAGN-IUCAKERBSA-N 1 0 241.253 1.147 10 0 BDAERO COC[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247059834 359191952 /nfs/dbraw/zinc/19/19/52/359191952.db2.gz NZGREHVVVIILRS-YPMHNXCESA-N 1 0 237.347 1.691 10 0 BDAERO c1ccc(CCN2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000247106274 359194807 /nfs/dbraw/zinc/19/48/07/359194807.db2.gz ISEXYODLMLLKIV-AWEZNQCLSA-N 1 0 231.343 1.404 10 0 BDAERO COCC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246896329 359173888 /nfs/dbraw/zinc/17/38/88/359173888.db2.gz BHXSVHOIAOIOTQ-VXGBXAGGSA-N 1 0 223.320 1.412 10 0 BDAERO CO[C@H](C)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247501956 359228279 /nfs/dbraw/zinc/22/82/79/359228279.db2.gz VCEVAFYRDQKWAI-UTUOFQBUSA-N 1 0 240.347 1.107 10 0 BDAERO CC[C@@H]1CN(CCCF)CC[N@@H+]1C[C@H](C)O ZINC000248152009 359255388 /nfs/dbraw/zinc/25/53/88/359255388.db2.gz QWCCSUUUBGQFDN-NWDGAFQWSA-N 1 0 232.343 1.123 10 0 BDAERO CC(C)CC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247437432 359220953 /nfs/dbraw/zinc/22/09/53/359220953.db2.gz ZJTYCWHSQMBRAX-STQMWFEESA-N 1 0 228.380 1.419 10 0 BDAERO CC[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247447590 359221209 /nfs/dbraw/zinc/22/12/09/359221209.db2.gz SMJYTLNHMOWHAJ-TUAOUCFPSA-N 1 0 226.364 1.877 10 0 BDAERO OC1(Cc2csc(Cl)c2)C[NH2+]C1 ZINC000306212621 359307159 /nfs/dbraw/zinc/30/71/59/359307159.db2.gz KQDYCVQILPFHEK-UHFFFAOYSA-N 1 0 203.694 1.278 10 0 BDAERO C[C@H]([NH3+])[C@H]1CN(CC(C)(C)C)CCO1 ZINC000169122414 359313666 /nfs/dbraw/zinc/31/36/66/359313666.db2.gz ZIWHWABIUMUCOQ-VHSXEESVSA-N 1 0 200.326 1.081 10 0 BDAERO C[C@@H]1SCCS[C@@H]1C(=[NH2+])NC1CC1 ZINC000228187326 359359646 /nfs/dbraw/zinc/35/96/46/359359646.db2.gz SBJNUUXYJICLDC-XPUUQOCRSA-N 1 0 216.375 1.953 10 0 BDAERO C[C@H]([NH3+])CCN1CC(F)(F)C(F)(F)C1 ZINC000306216128 359322930 /nfs/dbraw/zinc/32/29/30/359322930.db2.gz BNUILIRNZVDMOY-LURJTMIESA-N 1 0 214.206 1.310 10 0 BDAERO CC[C@H](C)C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000404232527 359347769 /nfs/dbraw/zinc/34/77/69/359347769.db2.gz RESAMNXRCUGGIE-QJPTWQEYSA-N 1 0 212.337 1.095 10 0 BDAERO [NH3+]C[C@]1(c2ccc(Cl)cn2)CCOC1 ZINC000306234132 359392307 /nfs/dbraw/zinc/39/23/07/359392307.db2.gz LNIWDHGNPGSCMO-SNVBAGLBSA-N 1 0 212.680 1.352 10 0 BDAERO [NH3+][C@H]1CCCC[C@@H]1OCc1csnn1 ZINC000306234846 359392749 /nfs/dbraw/zinc/39/27/49/359392749.db2.gz NIWZBUZUPWVHOT-IUCAKERBSA-N 1 0 213.306 1.325 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@H]1N1CCC(F)(F)C1 ZINC000306238956 359396695 /nfs/dbraw/zinc/39/66/95/359396695.db2.gz PVVPQWQZLOBUNT-BDAKNGLRSA-N 1 0 204.264 1.325 10 0 BDAERO [NH3+][C@H]1CC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000306294427 359532719 /nfs/dbraw/zinc/53/27/19/359532719.db2.gz AZZUNKUKVQWKFQ-IUCAKERBSA-N 1 0 230.267 1.162 10 0 BDAERO CC[C@]1([C@H]2CCOC2)[NH2+][C@H](C)CS1 ZINC000306295989 359532973 /nfs/dbraw/zinc/53/29/73/359532973.db2.gz BTFJHXRKQHVYJY-UTLUCORTSA-N 1 0 201.335 1.854 10 0 BDAERO CC[C@@H]1C[NH2+]C[C@H]1N1CCSCC1 ZINC000160963852 359592850 /nfs/dbraw/zinc/59/28/50/359592850.db2.gz AYCGXSBAZMWJPR-NXEZZACHSA-N 1 0 200.351 1.033 10 0 BDAERO Cc1nc(C[C@@]2(C[NH3+])CCCO2)cs1 ZINC000306309985 359591802 /nfs/dbraw/zinc/59/18/02/359591802.db2.gz MAZQBVHIKSHDFX-SNVBAGLBSA-N 1 0 212.318 1.502 10 0 BDAERO CC[C@@H]1C[NH2+]C[C@@H]1N(C)[C@@H]1CCSC1 ZINC000160976598 359605343 /nfs/dbraw/zinc/60/53/43/359605343.db2.gz UZDMFRKPFDGTJS-MXWKQRLJSA-N 1 0 214.378 1.422 10 0 BDAERO Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623764934 359632463 /nfs/dbraw/zinc/63/24/63/359632463.db2.gz LTWHODSBSZWWOA-OLZOCXBDSA-N 1 0 221.300 1.234 10 0 BDAERO Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c1 ZINC000623765430 359662857 /nfs/dbraw/zinc/66/28/57/359662857.db2.gz SYCCTYPELOAXMF-OLZOCXBDSA-N 1 0 221.300 1.234 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000623765394 359663334 /nfs/dbraw/zinc/66/33/34/359663334.db2.gz SLMFXRUFKSIWDK-NWDGAFQWSA-N 1 0 243.253 1.204 10 0 BDAERO FC1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000306345321 359664120 /nfs/dbraw/zinc/66/41/20/359664120.db2.gz OHKNVQAZZJBPEF-WHXUTIOJSA-N 1 0 201.285 1.893 10 0 BDAERO FC(F)[C@@H]1C[NH2+]CCN1[C@@H]1CCSC1 ZINC000306372252 359705262 /nfs/dbraw/zinc/70/52/62/359705262.db2.gz DBIWNZKBMPGUMB-SFYZADRCSA-N 1 0 222.304 1.031 10 0 BDAERO [NH3+][C@H](c1ccsn1)[C@@H]1CCSC1 ZINC000306387961 359741725 /nfs/dbraw/zinc/74/17/25/359741725.db2.gz QAACYBNTIXYBNN-SVRRBLITSA-N 1 0 200.332 1.896 10 0 BDAERO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cccnn2)C1 ZINC000309063649 491143872 /nfs/dbraw/zinc/14/38/72/491143872.db2.gz YCOOIEDTIWIGFB-ZJUUUORDSA-N 1 0 206.293 1.229 10 0 BDAERO C[C@H]([N@@H+]1CCCSCC1)C(C)(C)O ZINC000306415270 359816272 /nfs/dbraw/zinc/81/62/72/359816272.db2.gz PUIDSCLOHCFTDH-VIFPVBQESA-N 1 0 203.351 1.585 10 0 BDAERO CC1(C[NH2+][C@H]2CCc3nccn3C2)CC1 ZINC000309120497 491145206 /nfs/dbraw/zinc/14/52/06/491145206.db2.gz NOBICFKPFITIBI-JTQLQIEISA-N 1 0 205.305 1.588 10 0 BDAERO CCc1nnc([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)o1 ZINC000536960600 360013914 /nfs/dbraw/zinc/01/39/14/360013914.db2.gz XMCQPEZTNVPEQJ-AYMMMOKOSA-N 1 0 209.293 1.876 10 0 BDAERO [NH3+]CC1(CNc2nc(Cl)cs2)CC1 ZINC000306452974 360034368 /nfs/dbraw/zinc/03/43/68/360034368.db2.gz HVMNRNYPWNEMMD-UHFFFAOYSA-N 1 0 217.725 1.947 10 0 BDAERO CCC(CC)[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000089682228 360034437 /nfs/dbraw/zinc/03/44/37/360034437.db2.gz FENMISXLOAVKGE-CYBMUJFWSA-N 1 0 226.364 1.628 10 0 BDAERO COc1ccccc1[C@@H]1CO[C@@H](C[NH3+])C1 ZINC000536956750 360007472 /nfs/dbraw/zinc/00/74/72/360007472.db2.gz BFJNOEGVUIHKHO-VHSXEESVSA-N 1 0 207.273 1.526 10 0 BDAERO CS[C@@H]1C[NH2+]C[C@H]1N1CC(C)(C)C1 ZINC000306459087 360057359 /nfs/dbraw/zinc/05/73/59/360057359.db2.gz DMHVGZBEHZBNRL-RKDXNWHRSA-N 1 0 200.351 1.032 10 0 BDAERO CNc1ncc(Br)cc1C(N)=[NH2+] ZINC000306461537 360071143 /nfs/dbraw/zinc/07/11/43/360071143.db2.gz DMMJWFYYBACSPK-UHFFFAOYSA-N 1 0 229.081 1.170 10 0 BDAERO C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000306464355 360077570 /nfs/dbraw/zinc/07/75/70/360077570.db2.gz MNGLQEJAQHFNML-RXMQYKEDSA-N 1 0 216.082 1.520 10 0 BDAERO O[C@@]1(Cc2sccc2Cl)CC[NH2+]C1 ZINC000306468009 360080977 /nfs/dbraw/zinc/08/09/77/360080977.db2.gz LZGRLRADHCJGSA-SECBINFHSA-N 1 0 217.721 1.668 10 0 BDAERO CN[C@H](C[NH3+])c1cscc1Br ZINC000306468502 360083047 /nfs/dbraw/zinc/08/30/47/360083047.db2.gz SLTKHZBSKWWDQK-SSDOTTSWSA-N 1 0 235.150 1.730 10 0 BDAERO NC(=O)c1ccc(N[C@@H]2CCC[C@H]2[NH3+])c(F)c1 ZINC000063176899 181299925 /nfs/dbraw/zinc/29/99/25/181299925.db2.gz OAAITFYWFGDKQM-MWLCHTKSSA-N 1 0 237.278 1.216 10 0 BDAERO CC[C@@H]1[C@H](C2CCC2)[NH2+]C[C@@H](C)[S@]1=O ZINC000306488282 360165851 /nfs/dbraw/zinc/16/58/51/360165851.db2.gz JZYAJBJYFCYEGD-GCDPNZCJSA-N 1 0 215.362 1.674 10 0 BDAERO Brc1ncccc1[C@@H]1C[NH2+]CCO1 ZINC000237977590 360221582 /nfs/dbraw/zinc/22/15/82/360221582.db2.gz WLSPGLUTVSOWBG-QMMMGPOBSA-N 1 0 243.104 1.505 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC3(C2)OCCO3)[C@H]1C ZINC000306496416 360224471 /nfs/dbraw/zinc/22/44/71/360224471.db2.gz XQLOGIDZDYHYIH-KXNHARMFSA-N 1 0 225.332 1.916 10 0 BDAERO CC(C)[C@H]1CN([C@@H]2CCSC2)CC[NH2+]1 ZINC000231425036 360335398 /nfs/dbraw/zinc/33/53/98/360335398.db2.gz NQFHKEZOPRDKBB-GHMZBOCLSA-N 1 0 214.378 1.422 10 0 BDAERO NC(=O)c1ccc(O[C@@H]2CC[NH2+]C2)cc1Cl ZINC000061847575 181300901 /nfs/dbraw/zinc/30/09/01/181300901.db2.gz RMZXYQALRCEJFX-MRVPVSSYSA-N 1 0 240.690 1.180 10 0 BDAERO C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CSCCN1 ZINC000306520473 360344481 /nfs/dbraw/zinc/34/44/81/360344481.db2.gz DRDJZOFWVTXNDD-OPRDCNLKSA-N 1 0 200.351 1.080 10 0 BDAERO CC(=O)CCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094460486 360308997 /nfs/dbraw/zinc/30/89/97/360308997.db2.gz NGGYSILHJMSNIC-CMPLNLGQSA-N 1 0 238.331 1.051 10 0 BDAERO COc1ccccc1C1CC([NH2+]C2COC2)C1 ZINC000094709889 360315741 /nfs/dbraw/zinc/31/57/41/360315741.db2.gz SCDWTTRZZOXHLS-UHFFFAOYSA-N 1 0 233.311 1.930 10 0 BDAERO COC1([C@@H]2[NH2+][C@@H](C)CS2)CCCC1 ZINC000306538402 360400260 /nfs/dbraw/zinc/40/02/60/360400260.db2.gz MISQHWDEJBVOGT-DTWKUNHWSA-N 1 0 201.335 1.997 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)N1[C@H]1CCSC1 ZINC000306538619 360401306 /nfs/dbraw/zinc/40/13/06/360401306.db2.gz PFEAKTDRIFNOBD-BBBLOLIVSA-N 1 0 200.351 1.174 10 0 BDAERO CC[C@@](C)([NH3+])c1ncncc1Br ZINC000306521457 360359911 /nfs/dbraw/zinc/35/99/11/360359911.db2.gz FYXJLZCYCGCNQJ-MRVPVSSYSA-N 1 0 230.109 1.823 10 0 BDAERO C[C@@H]1[C@@H](NC(N)=S)CC[N@@H+]1Cc1ccccc1 ZINC000306561869 360437819 /nfs/dbraw/zinc/43/78/19/360437819.db2.gz SZUVATGUPQZWHZ-PWSUYJOCSA-N 1 0 249.383 1.483 10 0 BDAERO C[C@H](C[NH3+])OCCOCc1ccccc1 ZINC000306565175 360443659 /nfs/dbraw/zinc/44/36/59/360443659.db2.gz XNRYODMYJQWPME-LLVKDONJSA-N 1 0 209.289 1.567 10 0 BDAERO C[C@@H]1C[N@H+](C)CC[C@@]12NCCCS2 ZINC000306568457 360449773 /nfs/dbraw/zinc/44/97/73/360449773.db2.gz USTVSTIKRULAHM-ZJUUUORDSA-N 1 0 200.351 1.381 10 0 BDAERO CC(C)([NH3+])CS[C@@H]1CCC[C@]1(C)O ZINC000306543005 360411579 /nfs/dbraw/zinc/41/15/79/360411579.db2.gz ZNCMYJHBNKHXTC-SCZZXKLOSA-N 1 0 203.351 1.760 10 0 BDAERO C[NH2+]C1(CN2CCSCC2)CCCC1 ZINC000306568525 360450302 /nfs/dbraw/zinc/45/03/02/360450302.db2.gz UYPKVQFMLVKGOH-UHFFFAOYSA-N 1 0 214.378 1.567 10 0 BDAERO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000226276343 360415623 /nfs/dbraw/zinc/41/56/23/360415623.db2.gz JJDFSNXORJEIDS-QJPTWQEYSA-N 1 0 241.331 1.175 10 0 BDAERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1[C@@H]1CCC(=O)C1 ZINC000306547512 360418910 /nfs/dbraw/zinc/41/89/10/360418910.db2.gz AXFAQZKMOHSRSY-CKYFFXLPSA-N 1 0 211.305 1.201 10 0 BDAERO C[C@H]1C[NH2+]CC[C@H]1C(=O)Cc1cncs1 ZINC000306553981 360426509 /nfs/dbraw/zinc/42/65/09/360426509.db2.gz LEBNPXDAWFJHDF-WCBMZHEXSA-N 1 0 224.329 1.500 10 0 BDAERO C[C@H]1SCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000306557623 360430514 /nfs/dbraw/zinc/43/05/14/360430514.db2.gz OEMFSKMJULVLSA-LMLFDSFASA-N 1 0 215.362 1.774 10 0 BDAERO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cnccn1 ZINC000306582129 360481263 /nfs/dbraw/zinc/48/12/63/360481263.db2.gz CXQXLEMHTQUZGU-WPRPVWTQSA-N 1 0 209.318 1.460 10 0 BDAERO C[NH+](C)CC1CN(c2cc(Cl)ncn2)C1 ZINC000306570583 360452522 /nfs/dbraw/zinc/45/25/22/360452522.db2.gz ZBZIHKKQIARRRF-UHFFFAOYSA-N 1 0 226.711 1.128 10 0 BDAERO CN(C(=O)[C@H]1CCC[NH2+]1)C1CCSCC1 ZINC000403795889 360500844 /nfs/dbraw/zinc/50/08/44/360500844.db2.gz XEEIUXFTNNJWKM-SNVBAGLBSA-N 1 0 228.361 1.092 10 0 BDAERO CCC(C)(C)[C@@H]1C[S@@](=O)C[C@H](C)[NH2+]1 ZINC000306575514 360465312 /nfs/dbraw/zinc/46/53/12/360465312.db2.gz JIDJFSIYFUPQBH-RVBZMBCESA-N 1 0 203.351 1.532 10 0 BDAERO CC1(C)C[C@@H]1[C@@H]1C[S@](=O)CCC[NH2+]1 ZINC000306577837 360466506 /nfs/dbraw/zinc/46/65/06/360466506.db2.gz LSZTTYZFZZCNMS-VYUIOLGVSA-N 1 0 201.335 1.143 10 0 BDAERO c1cc2cnc(OC3C[NH2+]C3)nc2s1 ZINC000306599925 360520541 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/nfs/dbraw/zinc/15/82/76/491158276.db2.gz UMOYVKRJVZYYAE-GFCCVEGCSA-N 1 0 239.340 1.434 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000432729964 201163220 /nfs/dbraw/zinc/16/32/20/201163220.db2.gz JADLHLGLFHCUOF-XQQFMLRXSA-N 1 0 227.348 1.648 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000629617113 361511760 /nfs/dbraw/zinc/51/17/60/361511760.db2.gz PZHAVYYEAFDEST-UPJWGTAASA-N 1 0 245.363 1.179 10 0 BDAERO [NH3+]C1CC(NC(=O)CCC2CCCCC2)C1 ZINC000036237274 181340018 /nfs/dbraw/zinc/34/00/18/181340018.db2.gz KXEOXYBXIWLCQN-UHFFFAOYSA-N 1 0 224.348 1.953 10 0 BDAERO C[NH2+]Cc1ccc(N)c(Br)c1 ZINC000070602450 361587461 /nfs/dbraw/zinc/58/74/61/361587461.db2.gz CBPWVFGUPOKJPI-UHFFFAOYSA-N 1 0 215.094 1.751 10 0 BDAERO CC[C@@H]1CCC[N@H+](CC(N)=S)CC1 ZINC000070613499 361627218 /nfs/dbraw/zinc/62/72/18/361627218.db2.gz FRQRJXBEASWEJW-SECBINFHSA-N 1 0 200.351 1.785 10 0 BDAERO [NH3+]C1CCC(C(=O)NC2CCCC2)CC1 ZINC000037481623 181340350 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QNPHEEWQLWUWQN-UHFFFAOYSA-N 1 0 236.319 1.175 10 0 BDAERO Nc1cccc(OCC[NH+]2CCSCC2)c1 ZINC000037114519 361679328 /nfs/dbraw/zinc/67/93/28/361679328.db2.gz SUEBGTSCAFNPQU-UHFFFAOYSA-N 1 0 238.356 1.696 10 0 BDAERO CC[C@@H]1CC[C@@H]2[NH2+]CC[S@](=O)[C@@H]2C1 ZINC000070627425 361679547 /nfs/dbraw/zinc/67/95/47/361679547.db2.gz VPZVLYLXGBNEMS-BSTOTGJRSA-N 1 0 201.335 1.286 10 0 BDAERO Cc1c(C[NH3+])cnn1Cc1ccsc1 ZINC000070630860 361684194 /nfs/dbraw/zinc/68/41/94/361684194.db2.gz CNDDAUAPSPKNBG-UHFFFAOYSA-N 1 0 207.302 1.760 10 0 BDAERO [NH3+]C1CN(C(=O)Cc2cccc3ccccc32)C1 ZINC000104312707 181345343 /nfs/dbraw/zinc/34/53/43/181345343.db2.gz YYWMXTIPKDDYLR-UHFFFAOYSA-N 1 0 240.306 1.552 10 0 BDAERO COC[C@@H](C)C[NH2+]CC[C@@H]1CCCO1 ZINC000083526557 491162062 /nfs/dbraw/zinc/16/20/62/491162062.db2.gz KMIVFUREXWYULB-QWRGUYRKSA-N 1 0 201.310 1.428 10 0 BDAERO C[C@H](C[NH2+]CC1CCOCC1)N(C)C1CC1 ZINC000155972238 201377791 /nfs/dbraw/zinc/37/77/91/201377791.db2.gz BNLNWAJFNFUMTC-LLVKDONJSA-N 1 0 226.364 1.485 10 0 BDAERO OCCCSCC[NH2+]CC1CCOCC1 ZINC000155985749 201378740 /nfs/dbraw/zinc/37/87/40/201378740.db2.gz CFGPSEZOCHBUKE-UHFFFAOYSA-N 1 0 233.377 1.118 10 0 BDAERO C[NH2+][C@@H]1CC[C@@H](S(=O)(=O)C(C)C)[C@@H]1C ZINC000224914822 363900380 /nfs/dbraw/zinc/90/03/80/363900380.db2.gz UKTQCIWZPOARHR-OPRDCNLKSA-N 1 0 219.350 1.196 10 0 BDAERO CCC(CC)C(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630359204 364076320 /nfs/dbraw/zinc/07/63/20/364076320.db2.gz DQXKLKWKRSFQAI-DGCLKSJQSA-N 1 0 242.363 1.387 10 0 BDAERO CO[C@@H]1CN(Cc2ccc(C)cc2)[C@](C)(C[NH3+])C1 ZINC000630361484 364080933 /nfs/dbraw/zinc/08/09/33/364080933.db2.gz MHYGUMIHIJZWLZ-GJZGRUSLSA-N 1 0 248.370 1.933 10 0 BDAERO CC(C)(C)NC(=O)N1CCC[NH2+]CC12CC2 ZINC000725241516 541329969 /nfs/dbraw/zinc/32/99/69/541329969.db2.gz HFKFNCWULRQBPZ-UHFFFAOYSA-N 1 0 225.336 1.322 10 0 BDAERO C[C@@]([NH3+])(C(N)=O)c1ccccc1C(F)(F)F ZINC000037460095 364046190 /nfs/dbraw/zinc/04/61/90/364046190.db2.gz UHCUCARPOOKGHN-VIFPVBQESA-N 1 0 232.205 1.365 10 0 BDAERO CO[C@H]1CN(Cc2cncc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630364083 364083397 /nfs/dbraw/zinc/08/33/97/364083397.db2.gz CMPMYPOVNQWSOC-KGLIPLIRSA-N 1 0 249.358 1.328 10 0 BDAERO CC(C)[NH2+]CCC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000037480188 364063423 /nfs/dbraw/zinc/06/34/23/364063423.db2.gz QFKXNJVALPMREG-MNOVXSKESA-N 1 0 228.336 1.058 10 0 BDAERO CCC(=O)N1CC[C@@H]2CC[C@@]21[C@H]1CCC[NH2+]C1 ZINC000725263616 541336372 /nfs/dbraw/zinc/33/63/72/541336372.db2.gz WLMDKZVSQDUMRF-OBJOEFQTSA-N 1 0 236.359 1.777 10 0 BDAERO CC(C)[C@H](C)NC(=O)NC[C@H]1CC[NH2+]C[C@@H]1C ZINC000725271282 541339689 /nfs/dbraw/zinc/33/96/89/541339689.db2.gz KDAYVSJYHTZFPP-SDDRHHMPSA-N 1 0 241.379 1.576 10 0 BDAERO [NH3+]Cc1nc2cc(NC(=O)C3CCC3)ccc2[nH]1 ZINC000725271266 541339839 /nfs/dbraw/zinc/33/98/39/541339839.db2.gz JZDXBYQEAANZEQ-UHFFFAOYSA-N 1 0 244.298 1.760 10 0 BDAERO CCc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)nc(C)n1 ZINC000630532339 364221941 /nfs/dbraw/zinc/22/19/41/364221941.db2.gz HXLWSIPHPVBEKC-JOYOIKCWSA-N 1 0 234.347 1.900 10 0 BDAERO [NH3+]C1(CNc2ncc(Cl)cn2)CCOCC1 ZINC000630526358 364213281 /nfs/dbraw/zinc/21/32/81/364213281.db2.gz KMNXRHBPPFNXTR-UHFFFAOYSA-N 1 0 242.710 1.050 10 0 BDAERO C[C@@H]1[NH2+]CC[C@H]1N=c1[nH]c2ccccc2s1 ZINC000630546640 364240271 /nfs/dbraw/zinc/24/02/71/364240271.db2.gz ZROPEDWGKUSQOT-DTWKUNHWSA-N 1 0 233.340 1.881 10 0 BDAERO COC[C@@H](C)[NH2+]Cc1nccc(OC)c1OC ZINC000232193561 541346428 /nfs/dbraw/zinc/34/64/28/541346428.db2.gz DLCCJJKMQNHXIT-SECBINFHSA-N 1 0 240.303 1.223 10 0 BDAERO C[C@H]1CN(c2nc(C3CC3)ns2)C[C@@H]1C[NH3+] ZINC000630555100 364253097 /nfs/dbraw/zinc/25/30/97/364253097.db2.gz ZOUAFCHXFZIHBK-CBAPKCEASA-N 1 0 238.360 1.447 10 0 BDAERO Cc1nnc(N[C@H]2CC[C@H](C[NH3+])CC2)nc1C ZINC000630558451 364258659 /nfs/dbraw/zinc/25/86/59/364258659.db2.gz MBYJIFXJNLRBHV-XYPYZODXSA-N 1 0 235.335 1.418 10 0 BDAERO CC(C)c1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)ncn1 ZINC000630566724 364263350 /nfs/dbraw/zinc/26/33/50/364263350.db2.gz 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1.268 10 0 BDAERO [NH3+]CCCCS(=O)(=O)C1CCCCC1 ZINC000032013547 181378664 /nfs/dbraw/zinc/37/86/64/181378664.db2.gz CSJXRBQZUGHNQL-UHFFFAOYSA-N 1 0 219.350 1.473 10 0 BDAERO [NH3+]CCCN(C(=O)[C@@H]1CCCO1)C1CCCC1 ZINC000036731482 181379765 /nfs/dbraw/zinc/37/97/65/181379765.db2.gz PJEVZEAJYJCXSC-LBPRGKRZSA-N 1 0 240.347 1.285 10 0 BDAERO [NH3+]CCCN(c1ccccc1)c1cccnn1 ZINC000052815601 181380179 /nfs/dbraw/zinc/38/01/79/181380179.db2.gz XRVZITGMGNYKAK-UHFFFAOYSA-N 1 0 228.299 1.964 10 0 BDAERO [NH3+]CCCNC(=O)c1cc(Cl)ccc1O ZINC000019480492 181381996 /nfs/dbraw/zinc/38/19/96/181381996.db2.gz HAOMIPIDKIKULJ-UHFFFAOYSA-N 1 0 228.679 1.124 10 0 BDAERO [NH3+]CCCOc1ccnc2ccccc21 ZINC000051870786 181384846 /nfs/dbraw/zinc/38/48/46/181384846.db2.gz JMIDYZHBGZLSKV-UHFFFAOYSA-N 1 0 202.257 1.962 10 0 BDAERO [NH3+]CCC[S@](=O)c1cccc(Cl)c1 ZINC000054185873 181385807 /nfs/dbraw/zinc/38/58/07/181385807.db2.gz CZCQAKHQRCPBNQ-CYBMUJFWSA-N 1 0 217.721 1.796 10 0 BDAERO [NH3+]CCCc1nnc(-c2cccs2)o1 ZINC000011585896 181388169 /nfs/dbraw/zinc/38/81/69/181388169.db2.gz HPDSUOLFSLJHSG-UHFFFAOYSA-N 1 0 209.274 1.689 10 0 BDAERO CCCCOC[C@H](O)C[N@@H+]1CCC1(C)C ZINC000574260451 365022195 /nfs/dbraw/zinc/02/21/95/365022195.db2.gz DIPDFPZURAYHBL-LLVKDONJSA-N 1 0 215.337 1.648 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCC1(C)C ZINC000574260452 365022240 /nfs/dbraw/zinc/02/22/40/365022240.db2.gz DIPDFPZURAYHBL-NSHDSACASA-N 1 0 215.337 1.648 10 0 BDAERO [NH3+]CCCc1nnc(CCc2ccncc2)o1 ZINC000019733367 181388561 /nfs/dbraw/zinc/38/85/61/181388561.db2.gz MRPDEDKPTJYNHX-UHFFFAOYSA-N 1 0 232.287 1.141 10 0 BDAERO [NH3+]CCCn1c(C2CC2)nc2cccnc21 ZINC000049454759 181389801 /nfs/dbraw/zinc/38/98/01/181389801.db2.gz YDWSEYXRPCGUHD-UHFFFAOYSA-N 1 0 216.288 1.658 10 0 BDAERO [NH3+]CCN(C(=O)c1ccc(F)cc1)C1CC1 ZINC000041056767 181390610 /nfs/dbraw/zinc/39/06/10/181390610.db2.gz YFMBGNWIPUVMGS-UHFFFAOYSA-N 1 0 222.263 1.389 10 0 BDAERO NC(=O)N(CCC[NH3+])c1ccc(F)cc1 ZINC000036730664 181380277 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WCTAMMIDHWBAHY-UHFFFAOYSA-N 1 0 235.327 1.920 10 0 BDAERO [NH3+]CCc1ccc(CNc2cccnn2)cc1 ZINC000052899463 181411861 /nfs/dbraw/zinc/41/18/61/181411861.db2.gz HHVZQKSSJPNKIY-UHFFFAOYSA-N 1 0 228.299 1.590 10 0 BDAERO [NH3+]CCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000022145089 181412037 /nfs/dbraw/zinc/41/20/37/181412037.db2.gz SBTFLPQHACZDMX-CYBMUJFWSA-N 1 0 221.300 1.746 10 0 BDAERO [NH3+]CCc1cn2c(n1)OC=C(Br)C2 ZINC000091693020 181412638 /nfs/dbraw/zinc/41/26/38/181412638.db2.gz KGFLVVMWKZHJLQ-UHFFFAOYSA-N 1 0 244.092 1.013 10 0 BDAERO [NH3+]CCc1cnc2nc(Cl)sc2c1 ZINC000089229350 181412974 /nfs/dbraw/zinc/41/29/74/181412974.db2.gz DADVDMIWLQBHDP-UHFFFAOYSA-N 1 0 213.693 1.846 10 0 BDAERO [NH3+]CCc1nnc(-c2cccs2)s1 ZINC000040541845 181414509 /nfs/dbraw/zinc/41/45/09/181414509.db2.gz LEMVYCLFBUDLOH-UHFFFAOYSA-N 1 0 211.315 1.768 10 0 BDAERO [NH3+]CCc1nnc(-c2nccc3ccccc32)o1 ZINC000050283861 181414546 /nfs/dbraw/zinc/41/45/46/181414546.db2.gz MZOBYOJIMHAHKI-UHFFFAOYSA-N 1 0 240.266 1.786 10 0 BDAERO [NH3+]C[C@@H](c1cccc(Cl)c1)n1cncn1 ZINC000043016573 181425328 /nfs/dbraw/zinc/42/53/28/181425328.db2.gz PUIUBPVLQJBLGX-JTQLQIEISA-N 1 0 222.679 1.480 10 0 BDAERO [NH3+]CCc1cc2c(cc1Cl)OCCO2 ZINC000036182582 181411538 /nfs/dbraw/zinc/41/15/38/181411538.db2.gz HIYKROUHWRRRRJ-UHFFFAOYSA-N 1 0 213.664 1.612 10 0 BDAERO [NH3+]C[C@@H]1CCCCN1CC(=O)c1ccco1 ZINC000095072438 181427896 /nfs/dbraw/zinc/42/78/96/181427896.db2.gz OPDGFEWYTHJWSW-JTQLQIEISA-N 1 0 222.288 1.276 10 0 BDAERO CC[C@@](C)(O)C[NH+]1CCC(O)(CC)CC1 ZINC000444600678 193051609 /nfs/dbraw/zinc/05/16/09/193051609.db2.gz UFGKECUBEVXDLS-LLVKDONJSA-N 1 0 215.337 1.384 10 0 BDAERO C[C@H]([NH3+])[C@H]1COc2c(ccc(F)c2F)C1 ZINC000675063358 541464756 /nfs/dbraw/zinc/46/47/56/541464756.db2.gz CYLNATGWUMGADD-POYBYMJQSA-N 1 0 213.227 1.863 10 0 BDAERO CC(C)c1cc2n(n1)[C@H]1CC[NH2+]C[C@H]1CN2 ZINC000232769374 541507081 /nfs/dbraw/zinc/50/70/81/541507081.db2.gz DNDNKHQCXRXZHB-ONGXEEELSA-N 1 0 220.320 1.583 10 0 BDAERO c1cn2c([nH+]1)NC[C@H](c1ccncc1)C2 ZINC000232557309 541504689 /nfs/dbraw/zinc/50/46/89/541504689.db2.gz BQOVQUVIEFLMBE-JTQLQIEISA-N 1 0 200.245 1.487 10 0 BDAERO CC(C)CCc1cc2n(n1)[C@H](C[NH3+])CCN2 ZINC000232622350 541505075 /nfs/dbraw/zinc/50/50/75/541505075.db2.gz VLEZGZYSPFQKLM-NSHDSACASA-N 1 0 222.336 1.787 10 0 BDAERO CC(C)Cc1cnnn1[C@H]1CCC[NH2+]CC1 ZINC000685952013 541497255 /nfs/dbraw/zinc/49/72/55/541497255.db2.gz OWNTWVINOSMVRA-NSHDSACASA-N 1 0 222.336 1.791 10 0 BDAERO CCc1cn2c([nH+]1)NCC[C@H]2[C@@H]1CCOC1 ZINC000234201066 541511867 /nfs/dbraw/zinc/51/18/67/541511867.db2.gz CYCCYQZKGPMCID-KOLCDFICSA-N 1 0 221.304 1.839 10 0 BDAERO CCC[NH2+]Cc1nc(CN(C)C)cs1 ZINC000052422596 541514467 /nfs/dbraw/zinc/51/44/67/541514467.db2.gz XWQDYCFGKFLOBG-UHFFFAOYSA-N 1 0 213.350 1.704 10 0 BDAERO C[C@@H](Nc1ccnc2cccnc21)[C@H](C)[NH3+] ZINC000381359678 367387924 /nfs/dbraw/zinc/38/79/24/367387924.db2.gz KAGDDPXFLMDHCR-DTWKUNHWSA-N 1 0 216.288 1.199 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000381991720 367476692 /nfs/dbraw/zinc/47/66/92/367476692.db2.gz HSWMXZCYGIOHPQ-HHHUOAJASA-N 1 0 222.332 1.432 10 0 BDAERO C[C@H]([NH3+])[C@H](C)Nc1ccc(C(F)(F)F)nn1 ZINC000381606988 367437857 /nfs/dbraw/zinc/43/78/57/367437857.db2.gz OHSIFCAOTLVYSH-WDSKDSINSA-N 1 0 234.225 1.065 10 0 BDAERO CCc1nc(C)cc(N[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382518483 367532140 /nfs/dbraw/zinc/53/21/40/367532140.db2.gz SGWJWOORXNHFQF-MNOVXSKESA-N 1 0 234.347 1.309 10 0 BDAERO COC[C@@H](C)C[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000382250288 367501774 /nfs/dbraw/zinc/50/17/74/367501774.db2.gz UXIVYLCEYHQVBE-YNEHKIRRSA-N 1 0 229.364 1.920 10 0 BDAERO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)[C@H](C)O1 ZINC000581677560 367705960 /nfs/dbraw/zinc/70/59/60/367705960.db2.gz FWLXJWFSAMBBBE-NZEXEKPDSA-N 1 0 227.348 1.693 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccncc1 ZINC000384406298 367689135 /nfs/dbraw/zinc/68/91/35/367689135.db2.gz QDKVUTAEOMFVIU-WCQYABFASA-N 1 0 247.342 1.128 10 0 BDAERO CCCCOCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384851210 367742396 /nfs/dbraw/zinc/74/23/96/367742396.db2.gz LADGOPBMWHWEQI-RYUDHWBXSA-N 1 0 215.337 1.648 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)[C@@H](C)O1 ZINC000384871824 367747868 /nfs/dbraw/zinc/74/78/68/367747868.db2.gz IOJGIZRYQHEVFL-BNDIWNMDSA-N 1 0 227.348 1.693 10 0 BDAERO [NH3+]C[C@@H]1CCN(c2cc(F)cc(F)c2)C1 ZINC000019488749 181434223 /nfs/dbraw/zinc/43/42/23/181434223.db2.gz YHXXQBLMZRCQMH-QMMMGPOBSA-N 1 0 212.243 1.750 10 0 BDAERO Cc1cnccc1C[NH2+]CC1CC(O)C1 ZINC000385077793 367783627 /nfs/dbraw/zinc/78/36/27/367783627.db2.gz XZZXQPPNKCHESJ-UHFFFAOYSA-N 1 0 206.289 1.251 10 0 BDAERO C[C@@H]1SCCS[C@H]1C(=[NH2+])N(C)C ZINC000252719229 367828881 /nfs/dbraw/zinc/82/88/81/367828881.db2.gz HFYJQDDZVNIGKI-NKWVEPMBSA-N 1 0 204.364 1.762 10 0 BDAERO CCCN(CC(F)F)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000386233986 367935792 /nfs/dbraw/zinc/93/57/92/367935792.db2.gz RFMPCSZOVIFATI-LLVKDONJSA-N 1 0 234.290 1.632 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCC[NH2+]1 ZINC000386028606 367900518 /nfs/dbraw/zinc/90/05/18/367900518.db2.gz QFXLAEPQVDCHGK-XUXIUFHCSA-N 1 0 240.391 1.658 10 0 BDAERO C[C@H](NC[C@H](O)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386532602 367987218 /nfs/dbraw/zinc/98/72/18/367987218.db2.gz AXHSHZFOCOEUEI-CIUDSAMLSA-N 1 0 240.269 1.030 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1ncc(C)c(C)n1 ZINC000386526640 367985428 /nfs/dbraw/zinc/98/54/28/367985428.db2.gz YRLFQHIWPGKIKC-NSHDSACASA-N 1 0 220.320 1.282 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@H]1CC12CCCCC2 ZINC000387044901 368044716 /nfs/dbraw/zinc/04/47/16/368044716.db2.gz RSFSACMPWOWAGZ-ZJUUUORDSA-N 1 0 210.321 1.433 10 0 BDAERO [NH3+][C@@H]1CC[C@H]2CN(c3ncnc4c3CCC4)C[C@H]12 ZINC000386732896 368014713 /nfs/dbraw/zinc/01/47/13/368014713.db2.gz BBWMHEUNGICZCQ-ZMLRMANQSA-N 1 0 244.342 1.139 10 0 BDAERO C[C@H](C[N@@H+]1CCSC[C@H]1C)[C@H](C)[NH3+] ZINC000252858749 368163537 /nfs/dbraw/zinc/16/35/37/368163537.db2.gz MCGVFZNMQLJIIE-BBBLOLIVSA-N 1 0 202.367 1.407 10 0 BDAERO CSC[C@@H](C)[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000252917615 368166805 /nfs/dbraw/zinc/16/68/05/368166805.db2.gz XMBMGVAAJZIDRG-NXEZZACHSA-N 1 0 202.367 1.422 10 0 BDAERO CC[C@@H]1CCC(=O)[C@@H]([C@H]2COCC[NH2+]2)C1 ZINC000252966497 368172158 /nfs/dbraw/zinc/17/21/58/368172158.db2.gz SRXPIOJPBVWGAE-GMTAPVOTSA-N 1 0 211.305 1.370 10 0 BDAERO Cc1ccc(C(=O)N[n+]2ccccc2)cc1C ZINC000039283360 368330516 /nfs/dbraw/zinc/33/05/16/368330516.db2.gz GMIBMPJAHANDKN-UHFFFAOYSA-O 1 0 227.287 1.975 10 0 BDAERO N#Cc1cccc2c1CC[C@H]2CN1CC[NH2+]CC1 ZINC000146143025 368349689 /nfs/dbraw/zinc/34/96/89/368349689.db2.gz REPABDBBFKKXLP-ZDUSSCGKSA-N 1 0 241.338 1.493 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000253078780 368471701 /nfs/dbraw/zinc/47/17/01/368471701.db2.gz UAJAFEGHWSFKMT-HLTSFMKQSA-N 1 0 200.351 1.639 10 0 BDAERO COC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000253086887 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/nfs/dbraw/zinc/48/30/47/370483047.db2.gz SPSXMIZSRBVIAZ-PWSUYJOCSA-N 1 0 221.304 1.130 10 0 BDAERO CCn1nc(CC[NH+]2CCCC2)cc1N ZINC000114406563 370557831 /nfs/dbraw/zinc/55/78/31/370557831.db2.gz BNFBZXVAVRBANV-UHFFFAOYSA-N 1 0 208.309 1.124 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000568737336 326374100 /nfs/dbraw/zinc/37/41/00/326374100.db2.gz MSBNUHQWBHQYJT-PWSUYJOCSA-N 1 0 240.347 1.060 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000623765420 371086097 /nfs/dbraw/zinc/08/60/97/371086097.db2.gz SVCXWICYACDMDP-STQMWFEESA-N 1 0 227.348 1.696 10 0 BDAERO CN1CCO[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000093641754 371183873 /nfs/dbraw/zinc/18/38/73/371183873.db2.gz OCRIZDCJXVKTBX-NWDGAFQWSA-N 1 0 238.356 1.263 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1NCC(=O)c1nccs1 ZINC000095077419 181574523 /nfs/dbraw/zinc/57/45/23/181574523.db2.gz PAYYNBKAOYZDQX-BDAKNGLRSA-N 1 0 239.344 1.185 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](CC(=O)NC2CCCC2)C1 ZINC000055091316 181583930 /nfs/dbraw/zinc/58/39/30/181583930.db2.gz NFNYNBPOHBJYKG-WDEREUQCSA-N 1 0 224.348 1.953 10 0 BDAERO C[C@@H]([NH2+]C1CC(CO)C1)[C@H]1CCCCO1 ZINC000624016914 371250404 /nfs/dbraw/zinc/25/04/04/371250404.db2.gz KEFCCXSETPCXOL-HBIQZDMRSA-N 1 0 213.321 1.305 10 0 BDAERO C[C@@H]([NH2+]C1CC(CO)C1)[C@@H]1CCCCO1 ZINC000624016917 371250725 /nfs/dbraw/zinc/25/07/25/371250725.db2.gz KEFCCXSETPCXOL-YYJSSNLHSA-N 1 0 213.321 1.305 10 0 BDAERO [NH3+][C@@H]1COC[C@H]1Cc1ccc(Cl)s1 ZINC000076646665 181596051 /nfs/dbraw/zinc/59/60/51/181596051.db2.gz BIDHQDODQIIFMO-HTRCEHHLSA-N 1 0 217.721 1.918 10 0 BDAERO [NH3+][C@H](CNC(=O)C1[C@@H]2CCC[C@H]12)c1ccccc1 ZINC000130781260 181617931 /nfs/dbraw/zinc/61/79/31/181617931.db2.gz PUMSOYBEXRUPDD-RBKKPWLPSA-N 1 0 244.338 1.849 10 0 BDAERO [NH3+][C@H](C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000038085255 181623379 /nfs/dbraw/zinc/62/33/79/181623379.db2.gz YIZODZVOWFUQGX-ZYHUDNBSSA-N 1 0 239.340 1.511 10 0 BDAERO [NH3+][C@@H]1c2c(Cl)sc(Cl)c2C(=O)[C@H]1O ZINC000001638249 181601530 /nfs/dbraw/zinc/60/15/30/181601530.db2.gz ASLSLSPCMXBOAF-WUJLRWPWSA-N 1 0 238.095 1.612 10 0 BDAERO [NH3+][C@H]1CCOC[C@@H]1Oc1ccc(F)cc1 ZINC000038136747 181653640 /nfs/dbraw/zinc/65/36/40/181653640.db2.gz KHOFHGGIMIOBQI-QWRGUYRKSA-N 1 0 211.236 1.321 10 0 BDAERO [NH3+][C@H]1CC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000076647211 181654246 /nfs/dbraw/zinc/65/42/46/181654246.db2.gz IGIXJLWZASHVPR-NKWVEPMBSA-N 1 0 219.210 1.954 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(F)c1 ZINC000063173218 181645907 /nfs/dbraw/zinc/64/59/07/181645907.db2.gz DLYBUZOJBKBWSZ-QWRGUYRKSA-N 1 0 240.253 1.574 10 0 BDAERO [NH3+][C@H]1CCC[C@@H]1c1nc(C(F)(F)F)no1 ZINC000096872743 181647463 /nfs/dbraw/zinc/64/74/63/181647463.db2.gz UYCVZQSMBVPDOF-WHFBIAKZSA-N 1 0 221.182 1.683 10 0 BDAERO [NH3+][C@H]1CCC[C@H](C(=O)NC[C@@H]2CCCCO2)C1 ZINC000055089552 181647500 /nfs/dbraw/zinc/64/75/00/181647500.db2.gz DZUBIYDRQHPWGT-SRVKXCTJSA-N 1 0 240.347 1.189 10 0 BDAERO [NH3+][C@H]1CCC[S@](=O)c2ccc(F)cc21 ZINC000040974076 181649234 /nfs/dbraw/zinc/64/92/34/181649234.db2.gz LGTVEXSIBYXJJX-LKFCYVNXSA-N 1 0 213.277 1.727 10 0 BDAERO Nc1c([C@H]2CCC[NH2+]C2)cc2n1CCCC2 ZINC000100442581 181671267 /nfs/dbraw/zinc/67/12/67/181671267.db2.gz GLBCBXAETBIBEI-JTQLQIEISA-N 1 0 219.332 1.874 10 0 BDAERO CCCC(CCC)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624235854 371423441 /nfs/dbraw/zinc/42/34/41/371423441.db2.gz QUGUKANJOUALNF-NEPJUHHUSA-N 1 0 215.337 1.695 10 0 BDAERO CCCC(CCC)[NH2+][C@H]1CCOC[C@@H]1O ZINC000624235856 371423693 /nfs/dbraw/zinc/42/36/93/371423693.db2.gz QUGUKANJOUALNF-RYUDHWBXSA-N 1 0 215.337 1.695 10 0 BDAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2O)c(C)o1 ZINC000624236322 371423831 /nfs/dbraw/zinc/42/38/31/371423831.db2.gz ACJBMYONVYMILC-BIMULSAOSA-N 1 0 239.315 1.697 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000624236373 371424000 /nfs/dbraw/zinc/42/40/00/371424000.db2.gz BGPKOGQRVOWNEC-RFQIPJPRSA-N 1 0 239.359 1.695 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1O)C1CCCC1 ZINC000624236710 371424838 /nfs/dbraw/zinc/42/48/38/371424838.db2.gz IHFVWKDOVSXNAT-WCQGTBRESA-N 1 0 213.321 1.305 10 0 BDAERO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCOC[C@@H]1O ZINC000624237315 371424986 /nfs/dbraw/zinc/42/49/86/371424986.db2.gz UUTRJKWUISXBAD-JLLWLGSASA-N 1 0 241.356 1.419 10 0 BDAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000624239645 371428878 /nfs/dbraw/zinc/42/88/78/371428878.db2.gz QJDIKPKDWMCGMY-VHSXEESVSA-N 1 0 235.274 1.304 10 0 BDAERO Nc1ccccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062975918 181754443 /nfs/dbraw/zinc/75/44/43/181754443.db2.gz BZFPOUZUDHWOQN-GFCCVEGCSA-N 1 0 231.343 1.943 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@@]1(O)C(F)(F)Br ZINC000225666684 371565126 /nfs/dbraw/zinc/56/51/26/371565126.db2.gz SBVMDWRLPCATLZ-RITPCOANSA-N 1 0 244.079 1.335 10 0 BDAERO C[C@@H]1C[NH2+]CC[C@]1(O)C(F)(F)Br ZINC000225666744 371565731 /nfs/dbraw/zinc/56/57/31/371565731.db2.gz SBVMDWRLPCATLZ-PHDIDXHHSA-N 1 0 244.079 1.335 10 0 BDAERO C[C@H](C[NH3+])N1CC(C)(C)OC(C)(C)C1 ZINC000226413488 371663876 /nfs/dbraw/zinc/66/38/76/371663876.db2.gz MEAITSZDVAROOE-SECBINFHSA-N 1 0 200.326 1.223 10 0 BDAERO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CC(=O)N1 ZINC000215998763 371672913 /nfs/dbraw/zinc/67/29/13/371672913.db2.gz WRBOZTYRDIKBAB-ZYHUDNBSSA-N 1 0 218.300 1.443 10 0 BDAERO Cn1ccnc1C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000226473998 371673642 /nfs/dbraw/zinc/67/36/42/371673642.db2.gz BCIAVEZNODVZML-RKDXNWHRSA-N 1 0 207.277 1.120 10 0 BDAERO Cn1ccnc1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000226473988 371673689 /nfs/dbraw/zinc/67/36/89/371673689.db2.gz BCIAVEZNODVZML-BDAKNGLRSA-N 1 0 207.277 1.120 10 0 BDAERO CC[C@@H]1C[NH+]=C(N[C@@H]2CCOC2)S1 ZINC000230009788 371632102 /nfs/dbraw/zinc/63/21/02/371632102.db2.gz ZMWONTMIYHCGML-HTQZYQBOSA-N 1 0 200.307 1.246 10 0 BDAERO [NH3+]CC(=O)Nc1cc(F)cc(Cl)c1 ZINC000230012552 371634216 /nfs/dbraw/zinc/63/42/16/371634216.db2.gz MCVJBXLKDXUVNS-UHFFFAOYSA-N 1 0 202.616 1.376 10 0 BDAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)Cc1ccsc1 ZINC000226486513 371678519 /nfs/dbraw/zinc/67/85/19/371678519.db2.gz HZTYRSPZDWYKPO-VHSXEESVSA-N 1 0 209.314 1.987 10 0 BDAERO Nc1nc(C[C@@H]([NH3+])c2ccccc2)cs1 ZINC000051965907 181782858 /nfs/dbraw/zinc/78/28/58/181782858.db2.gz JFLVAAKJZNDKHC-SNVBAGLBSA-N 1 0 219.313 1.968 10 0 BDAERO CC(C)[C@@](C)(CN)[N@@H+]1CCSC[C@@H]1C ZINC000226393276 371660904 /nfs/dbraw/zinc/66/09/04/371660904.db2.gz BPVMOIMUXPDBGJ-WDEREUQCSA-N 1 0 216.394 1.797 10 0 BDAERO CN(C)Nc1[nH+]c(NN)c(Cl)cc1Cl ZINC000226650363 371716240 /nfs/dbraw/zinc/71/62/40/371716240.db2.gz QLSUPOPQBAERBJ-UHFFFAOYSA-N 1 0 236.106 1.563 10 0 BDAERO [NH3+]Cc1ccc2ncc(Br)n2c1 ZINC000162593041 371724301 /nfs/dbraw/zinc/72/43/01/371724301.db2.gz JROVLGNNMQQNJW-UHFFFAOYSA-N 1 0 226.077 1.556 10 0 BDAERO [NH3+]Cc1ccncc1-n1cc(Cl)cn1 ZINC000162458445 371688446 /nfs/dbraw/zinc/68/84/46/371688446.db2.gz YTSPDHUCCFPLSC-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO C[C@]1(c2ccc(Br)o2)C[NH+]=C(N)N1 ZINC000131873334 371702883 /nfs/dbraw/zinc/70/28/83/371702883.db2.gz YRBVASYVCFXYKF-MRVPVSSYSA-N 1 0 244.092 1.175 10 0 BDAERO CC[C@@H]1CC[C@@H]([NH2+]C)[C@@H](S(C)(=O)=O)C1 ZINC000226804700 371747377 /nfs/dbraw/zinc/74/73/77/371747377.db2.gz MOZFUAXFGJUUSO-BBBLOLIVSA-N 1 0 219.350 1.198 10 0 BDAERO [NH3+]CC1(C(=O)c2cccs2)CCOCC1 ZINC000226806585 371748559 /nfs/dbraw/zinc/74/85/59/371748559.db2.gz FZYDZEPEPSAVRY-UHFFFAOYSA-N 1 0 225.313 1.686 10 0 BDAERO CCSCc1ncc2c(n1)CC[NH2+]C2 ZINC000132190907 371763099 /nfs/dbraw/zinc/76/30/99/371763099.db2.gz ZYZMJRVGYACKMA-UHFFFAOYSA-N 1 0 209.318 1.375 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1[S@@](=O)CC1CCCC1 ZINC000227056447 371774958 /nfs/dbraw/zinc/77/49/58/371774958.db2.gz ZAKNOMDMBHMYGG-GYSYKLTISA-N 1 0 215.362 1.805 10 0 BDAERO C[C@@H]1[C@H](C)NCC[N@@H+]1C[Si](C)(C)C ZINC000401799139 371820850 /nfs/dbraw/zinc/82/08/50/371820850.db2.gz MDTSCKLKAGOWET-VHSXEESVSA-N 1 0 200.402 1.546 10 0 BDAERO C[NH2+]C(C)(C)CN1CCS[C@@H](C)[C@@H]1C ZINC000132490684 371837784 /nfs/dbraw/zinc/83/77/84/371837784.db2.gz JVDWBMOZCXWAAW-UWVGGRQHSA-N 1 0 216.394 1.810 10 0 BDAERO Cc1ccc(Cl)cc1N1C[C@H]([NH3+])C1=O ZINC000227617818 371906100 /nfs/dbraw/zinc/90/61/00/371906100.db2.gz FSZQYNNDBKMJFZ-QMMMGPOBSA-N 1 0 210.664 1.322 10 0 BDAERO [NH3+][C@@H]1CN(c2cccc(Br)c2)C1=O ZINC000227617922 371906265 /nfs/dbraw/zinc/90/62/65/371906265.db2.gz DUWYQYACDYTCDZ-MRVPVSSYSA-N 1 0 241.088 1.123 10 0 BDAERO [NH3+][C@@H]1CCC[C@H](CNc2nncs2)C1 ZINC000227666460 371917809 /nfs/dbraw/zinc/91/78/09/371917809.db2.gz RXWDALBBEFFWIT-JGVFFNPUSA-N 1 0 212.322 1.468 10 0 BDAERO CNc1cc(-n2cc(Cl)cn2)cc[nH+]1 ZINC000227667635 371918480 /nfs/dbraw/zinc/91/84/80/371918480.db2.gz ISQGRHXFDNXOEV-UHFFFAOYSA-N 1 0 208.652 1.962 10 0 BDAERO Nc1cc(Sc2cnccn2)ccn1 ZINC000227674550 371920082 /nfs/dbraw/zinc/92/00/82/371920082.db2.gz MDMGVSWRNQDKRG-UHFFFAOYSA-N 1 0 204.258 1.605 10 0 BDAERO O=C1CCCCC[C@H]1[NH+]1CCSCC1 ZINC000057896107 371927503 /nfs/dbraw/zinc/92/75/03/371927503.db2.gz 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1 0 225.313 1.616 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](CO)N(C)Cc1ccccc1 ZINC000163211674 371952635 /nfs/dbraw/zinc/95/26/35/371952635.db2.gz RFVXHHBFPMCKHD-CHWSQXEVSA-N 1 0 222.332 1.217 10 0 BDAERO CN1CCO[C@H]([C@@H]([NH3+])c2ccsc2)C1 ZINC000217874810 372022665 /nfs/dbraw/zinc/02/26/65/372022665.db2.gz CTTMPWQOEHGNHO-UWVGGRQHSA-N 1 0 212.318 1.079 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1cccc(F)c1Br ZINC000217904016 372025870 /nfs/dbraw/zinc/02/58/70/372025870.db2.gz NHBFTVLLSZDVJM-ANLVUFKYSA-N 1 0 248.095 1.969 10 0 BDAERO C[C@H]([NH3+])C(=O)Cc1ccc(Cl)cc1F ZINC000163667885 372028417 /nfs/dbraw/zinc/02/84/17/372028417.db2.gz OTGYIFXOJQQLBM-LURJTMIESA-N 1 0 215.655 1.938 10 0 BDAERO [NH3+][C@@H](Cc1ccccn1)[C@@H]1CCSC1 ZINC000163705806 372036088 /nfs/dbraw/zinc/03/60/88/372036088.db2.gz HUQWYWIIXPHTJE-KOLCDFICSA-N 1 0 208.330 1.705 10 0 BDAERO CC(C)N1CCCN(C2CC[NH2+]CC2)C1=O ZINC000257801179 259548863 /nfs/dbraw/zinc/54/88/63/259548863.db2.gz YUSTXVBDEOUCEU-UHFFFAOYSA-N 1 0 225.336 1.275 10 0 BDAERO COC[C@H](C)NC1=[NH+][C@@H](C)CCS1 ZINC000133425898 372047758 /nfs/dbraw/zinc/04/77/58/372047758.db2.gz NWRXTYFWSMCCLL-YUMQZZPRSA-N 1 0 202.323 1.492 10 0 BDAERO OC1([C@@H]2CCCC[NH2+]2)CCSCC1 ZINC000403618757 372010889 /nfs/dbraw/zinc/01/08/89/372010889.db2.gz WDFUGRWGVZBLLE-VIFPVBQESA-N 1 0 201.335 1.387 10 0 BDAERO C[C@@H]1C[NH2+][C@@H](C2CCCC2)C[S@@]1=O ZINC000229081968 372117011 /nfs/dbraw/zinc/11/70/11/372117011.db2.gz MTXDIPJIQSEORP-JQEORGNBSA-N 1 0 201.335 1.286 10 0 BDAERO [NH3+]CCn1cnc(CNCc2ccccc2)c1 ZINC000231647337 372066998 /nfs/dbraw/zinc/06/69/98/372066998.db2.gz KUTHUWXCHRFYIT-UHFFFAOYSA-N 1 0 230.315 1.132 10 0 BDAERO C[N@H+]([C@@H]1CCCCCC1=O)C(C)(C)CO ZINC000133538605 372071072 /nfs/dbraw/zinc/07/10/72/372071072.db2.gz WGNXWLHPWWQULT-SNVBAGLBSA-N 1 0 213.321 1.591 10 0 BDAERO [NH2+]=C(NCc1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000307013892 372085196 /nfs/dbraw/zinc/08/51/96/372085196.db2.gz OGSCXEUAQRHJBV-BETUJISGSA-N 1 0 245.326 1.574 10 0 BDAERO COC(=O)[C@@]1([NH3+])CCC[C@H]1C(F)(F)F ZINC000606301903 372092089 /nfs/dbraw/zinc/09/20/89/372092089.db2.gz NNJNZLDSKFTZQJ-IYSWYEEDSA-N 1 0 211.183 1.219 10 0 BDAERO COc1ccccc1CC1CC(C[NH3+])(CO)C1 ZINC000606302139 372092244 /nfs/dbraw/zinc/09/22/44/372092244.db2.gz DIXBVALYBJXHON-UHFFFAOYSA-N 1 0 235.327 1.585 10 0 BDAERO [NH3+][C@H](c1cnsc1)[C@H]1CSCCS1 ZINC000404597364 372096044 /nfs/dbraw/zinc/09/60/44/372096044.db2.gz SDQJXMPEIOTNEU-HTQZYQBOSA-N 1 0 232.399 1.992 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1c(Br)cnn1C ZINC000229142867 372122626 /nfs/dbraw/zinc/12/26/26/372122626.db2.gz DUZIRLJROBUEIP-GKROBHDKSA-N 1 0 244.136 1.838 10 0 BDAERO Cc1ccc([C@H]([NH3+])Cn2ccnc2)s1 ZINC000059112831 372142824 /nfs/dbraw/zinc/14/28/24/372142824.db2.gz SXNDZYRHYUROJV-SECBINFHSA-N 1 0 207.302 1.953 10 0 BDAERO CC1(N2C(=O)c3ccccc3C2=O)CC[NH2+]CC1 ZINC000229639379 372175573 /nfs/dbraw/zinc/17/55/73/372175573.db2.gz CCKCIKVQRXUUQV-UHFFFAOYSA-N 1 0 244.294 1.425 10 0 BDAERO C[C@@H]1C[NH2+][C@](C)([C@@H]2CCOC2)SC1 ZINC000229665990 372179065 /nfs/dbraw/zinc/17/90/65/372179065.db2.gz BJXXIMJBBSYJAF-BBBLOLIVSA-N 1 0 201.335 1.712 10 0 BDAERO C[C@@H]1C[C@H]([C@H]([NH3+])Cc2cncs2)CO1 ZINC000133860948 372123591 /nfs/dbraw/zinc/12/35/91/372123591.db2.gz HPWCDKHYOSYGIO-KHQFGBGNSA-N 1 0 212.318 1.438 10 0 BDAERO CC1(C)OCC[C@H]1NC1=[NH+]CCCS1 ZINC000307486936 372125223 /nfs/dbraw/zinc/12/52/23/372125223.db2.gz BOJWZOSGBXDYCD-MRVPVSSYSA-N 1 0 214.334 1.636 10 0 BDAERO C[NH2+][C@@H](C)c1cnn(C)c1Br ZINC000307571642 372128414 /nfs/dbraw/zinc/12/84/14/372128414.db2.gz YAUSPVRDKLQYCD-YFKPBYRVSA-N 1 0 218.098 1.463 10 0 BDAERO Cc1ccc(C[NH2+]C2CC(CO)C2)c(F)c1 ZINC000631177493 372219438 /nfs/dbraw/zinc/21/94/38/372219438.db2.gz CEOQCAVGLKDTGY-UHFFFAOYSA-N 1 0 223.291 1.995 10 0 BDAERO C[C@@H]1CSC(NCC(F)F)=[NH+][C@H]1C ZINC000229754106 372190626 /nfs/dbraw/zinc/19/06/26/372190626.db2.gz HVRPFAZKJWNFSM-RITPCOANSA-N 1 0 208.277 1.969 10 0 BDAERO C[C@H](CC[NH3+])Nc1ncncc1Br ZINC000134275963 372190970 /nfs/dbraw/zinc/19/09/70/372190970.db2.gz IRXBATCERCDZPY-ZCFIWIBFSA-N 1 0 245.124 1.388 10 0 BDAERO CC(C)c1ccc(OC[C@H](O)C[NH3+])cc1 ZINC000008028856 372272396 /nfs/dbraw/zinc/27/23/96/372272396.db2.gz HMNQSULNSMLJPR-LLVKDONJSA-N 1 0 209.289 1.508 10 0 BDAERO CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C[NH3+] ZINC000140450699 372679553 /nfs/dbraw/zinc/67/95/53/372679553.db2.gz WXQMQAMXMZTBAB-VHSXEESVSA-N 1 0 244.335 1.217 10 0 BDAERO O=C(C[NH2+]CC1CCC1)N1CCCCCC1 ZINC000037180598 181978736 /nfs/dbraw/zinc/97/87/36/181978736.db2.gz BOSPAHXAZJCTDZ-UHFFFAOYSA-N 1 0 224.348 1.779 10 0 BDAERO O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC[NH2+]C1CC1 ZINC000054265551 182022889 /nfs/dbraw/zinc/02/28/89/182022889.db2.gz YLTBWFUXZLQCSL-TUAOUCFPSA-N 1 0 236.359 1.681 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)OC1CCOCC1 ZINC000054302026 182028779 /nfs/dbraw/zinc/02/87/79/182028779.db2.gz PMIRELWPQXXFLW-SNVBAGLBSA-N 1 0 227.304 1.098 10 0 BDAERO O=C(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000041215682 182036830 /nfs/dbraw/zinc/03/68/30/182036830.db2.gz FEDDNTQEUCBTLO-LLVKDONJSA-N 1 0 207.248 1.689 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC=CCC2)C1 ZINC000172486475 372990431 /nfs/dbraw/zinc/99/04/31/372990431.db2.gz YDTXZGNDVWTBGF-NWDGAFQWSA-N 1 0 237.347 1.441 10 0 BDAERO O=C(NCc1ccccc1)[C@@H]1C[C@H](F)C[NH2+]1 ZINC000142186061 373110219 /nfs/dbraw/zinc/11/02/19/373110219.db2.gz MBCDTNSCVJODTE-QWRGUYRKSA-N 1 0 222.263 1.003 10 0 BDAERO O=C(NC1CCCC1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019517402 182109642 /nfs/dbraw/zinc/10/96/42/182109642.db2.gz CACPAVKJJQFVPT-KGYLQXTDSA-N 1 0 236.359 1.966 10 0 BDAERO [NH3+]CC[C@@H]1CCCN(c2nccs2)C1 ZINC000069626233 373547565 /nfs/dbraw/zinc/54/75/65/373547565.db2.gz FSXQGSBVLDLYIX-VIFPVBQESA-N 1 0 211.334 1.708 10 0 BDAERO CCOC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000069626032 373547930 /nfs/dbraw/zinc/54/79/30/373547930.db2.gz LSUYSPBPFUYAGI-SECBINFHSA-N 1 0 200.282 1.204 10 0 BDAERO COC[C@](C)([NH3+])c1cccc(F)c1F ZINC000069640540 373563757 /nfs/dbraw/zinc/56/37/57/373563757.db2.gz HWULLSRYLOAQJZ-JTQLQIEISA-N 1 0 201.216 1.785 10 0 BDAERO O=C(NCC[C@H]1CCC[NH2+]C1)C1[C@@H]2CCC[C@H]12 ZINC000226250040 182200490 /nfs/dbraw/zinc/20/04/90/182200490.db2.gz KUBRXKIBONWBBJ-FKJOKYEKSA-N 1 0 236.359 1.538 10 0 BDAERO O=C(NCCc1cccs1)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2 ZINC000096252202 182208921 /nfs/dbraw/zinc/20/89/21/182208921.db2.gz RHLNLLAUNALALC-INTQDDNPSA-N 1 0 236.340 1.015 10 0 BDAERO C[C@H]([NH3+])Cc1noc([C@H]2CCSC2)n1 ZINC000070005041 374110380 /nfs/dbraw/zinc/11/03/80/374110380.db2.gz QQUIUBDTQTWWCZ-BQBZGAKWSA-N 1 0 213.306 1.180 10 0 BDAERO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[NH2+]C1 ZINC000070121386 374120412 /nfs/dbraw/zinc/12/04/12/374120412.db2.gz HEEOWKNDLSWZPK-JTQLQIEISA-N 1 0 244.294 1.425 10 0 BDAERO CC(C)(C)OC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000143036942 374129740 /nfs/dbraw/zinc/12/97/40/374129740.db2.gz DLNPCORHTMWBMT-RXMQYKEDSA-N 1 0 228.214 1.401 10 0 BDAERO C[C@@H](C(N)=S)[N@@H+]1CCCCC[C@H]1C ZINC000069944904 374090502 /nfs/dbraw/zinc/09/05/02/374090502.db2.gz JOVARPFMZXGSSH-BDAKNGLRSA-N 1 0 200.351 1.926 10 0 BDAERO CC(C)[C@H]([NH3+])CN1C(=O)c2ccccc2C1=O ZINC000070463669 374145116 /nfs/dbraw/zinc/14/51/16/374145116.db2.gz KJORDDPJVLFJNF-LLVKDONJSA-N 1 0 232.283 1.266 10 0 BDAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@H]2C)C1 ZINC000246088471 374147610 /nfs/dbraw/zinc/14/76/10/374147610.db2.gz HAQUWLZYCDQACE-OUAUKWLOSA-N 1 0 225.336 1.178 10 0 BDAERO Cc1c(Cl)cnn1C[C@@H](C)C(N)=[NH2+] ZINC000070689620 374177136 /nfs/dbraw/zinc/17/71/36/374177136.db2.gz VQJNPPKBDJHREI-RXMQYKEDSA-N 1 0 200.673 1.417 10 0 BDAERO C[NH2+][C@@H](C)c1csc(-c2nc[nH]n2)n1 ZINC000070841165 374199746 /nfs/dbraw/zinc/19/97/46/374199746.db2.gz CSNBMEFUGMKGKL-YFKPBYRVSA-N 1 0 209.278 1.209 10 0 BDAERO C[C@H](O)C[N@@H+]1CCN([C@@H]2C=CCCC2)C[C@@H]1C ZINC000246298944 374242479 /nfs/dbraw/zinc/24/24/79/374242479.db2.gz WFEQRDSKDXPPBH-MELADBBJSA-N 1 0 238.375 1.482 10 0 BDAERO O=C(Nc1cc(F)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000019410077 182350355 /nfs/dbraw/zinc/35/03/55/182350355.db2.gz HRIWEBBVKWZHDG-QMMMGPOBSA-N 1 0 240.253 1.903 10 0 BDAERO O=C(Nc1cccc(F)c1)OC1C[NH2+]C1 ZINC000086230748 182369563 /nfs/dbraw/zinc/36/95/63/182369563.db2.gz VFTXBJDAXKJPRL-UHFFFAOYSA-N 1 0 210.208 1.346 10 0 BDAERO O=C(Nc1cccc2c1C[NH2+]CC2)[C@H]1CCCO1 ZINC000123526323 182373000 /nfs/dbraw/zinc/37/30/00/182373000.db2.gz JUGIORVKTGXQRY-CYBMUJFWSA-N 1 0 246.310 1.450 10 0 BDAERO O=C(OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000039433141 182605345 /nfs/dbraw/zinc/60/53/45/182605345.db2.gz HMWIMQPWNDDSFE-LLVKDONJSA-N 1 0 205.257 1.339 10 0 BDAERO O=C(OC1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000062132619 182601476 /nfs/dbraw/zinc/60/14/76/182601476.db2.gz PZPIMZONYJRFAB-JTQLQIEISA-N 1 0 211.305 1.862 10 0 BDAERO CCCCOCC[NH2+]CCn1ccc(=O)cc1 ZINC000061628556 168901747 /nfs/dbraw/zinc/90/17/47/168901747.db2.gz QBPSQIUJTURHKS-UHFFFAOYSA-N 1 0 238.331 1.255 10 0 BDAERO CCOC(=O)c1sc([C@H](C)C[NH3+])nc1C ZINC000011887496 170310483 /nfs/dbraw/zinc/31/04/83/170310483.db2.gz MWTWEVCQXCZNNX-ZCFIWIBFSA-N 1 0 228.317 1.690 10 0 BDAERO O=S1(=O)CC(CC[N@@H+]2CC[C@@H]3CCC[C@@H]32)C1 ZINC000336318583 182905998 /nfs/dbraw/zinc/90/59/98/182905998.db2.gz YJDOWTDXHNDKGC-RYUDHWBXSA-N 1 0 243.372 1.296 10 0 BDAERO O=[S@](Cc1cncs1)[C@@H]1CCC[NH2+]C1 ZINC000095073458 182967829 /nfs/dbraw/zinc/96/78/29/182967829.db2.gz ANYSWZPNRKFWBZ-OTYXRUKQSA-N 1 0 230.358 1.144 10 0 BDAERO O=c1ccc(Cl)cn1C1CC[NH2+]CC1 ZINC000041630277 182999858 /nfs/dbraw/zinc/99/98/58/182999858.db2.gz VLFUGXJDKJJURU-UHFFFAOYSA-N 1 0 212.680 1.426 10 0 BDAERO O=c1cnc2cc3c(cc2[nH]1)[C@H]1C[C@@H]3C[NH2+]C1 ZINC000022061302 183007044 /nfs/dbraw/zinc/00/70/44/183007044.db2.gz GKJIHIDMYKLTHW-SFYZADRCSA-N 1 0 227.267 1.097 10 0 in-vitro BDAERO OC1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000306190593 183027643 /nfs/dbraw/zinc/02/76/43/183027643.db2.gz XFEHPLZTHRGRAV-UHFFFAOYSA-N 1 0 205.248 1.677 10 0 BDAERO OCC1([NH2+][C@@H]2CCCC[C@H]2O)CCCC1 ZINC000053069185 183038981 /nfs/dbraw/zinc/03/89/81/183038981.db2.gz NSNLNZUGQGSQMU-GHMZBOCLSA-N 1 0 213.321 1.185 10 0 BDAERO OCCC[NH2+]Cc1cccc(Br)n1 ZINC000083373321 183059250 /nfs/dbraw/zinc/05/92/50/183059250.db2.gz ABZRLZZEMLCNJZ-UHFFFAOYSA-N 1 0 245.120 1.316 10 0 BDAERO OCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000177842802 183074676 /nfs/dbraw/zinc/07/46/76/183074676.db2.gz NKQHXNYKIYVMBD-ZIAGYGMSSA-N 1 0 235.327 1.567 10 0 BDAERO OCC[C@H]([NH2+]C1CC1)[C@@H]1COc2ccccc2O1 ZINC000095078818 183096665 /nfs/dbraw/zinc/09/66/65/183096665.db2.gz OIFBWWUVOAYMDZ-FZMZJTMJSA-N 1 0 249.310 1.329 10 0 BDAERO OCCOCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336660079 183087048 /nfs/dbraw/zinc/08/70/48/183087048.db2.gz BSWXFDCXWVITGS-GHMZBOCLSA-N 1 0 219.300 1.113 10 0 BDAERO OCC[C@@H]([NH2+]C1CC1)c1ccc2c(c1)OCCO2 ZINC000095078773 183090513 /nfs/dbraw/zinc/09/05/13/183090513.db2.gz JMSOGDOKTDSMFH-GFCCVEGCSA-N 1 0 249.310 1.633 10 0 BDAERO OCC[C@@H](O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095078853 183091442 /nfs/dbraw/zinc/09/14/42/183091442.db2.gz RLBKLVKBOKNPTM-OAHLLOKOSA-N 1 0 249.354 1.642 10 0 BDAERO OCC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@@H]1O ZINC000050683311 183069576 /nfs/dbraw/zinc/06/95/76/183069576.db2.gz CUYKVBJMSWJHHO-KGLIPLIRSA-N 1 0 235.327 1.394 10 0 BDAERO OC[C@@H](c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000038120838 183114578 /nfs/dbraw/zinc/11/45/78/183114578.db2.gz OGPLIZWJDXDTAU-LBPRGKRZSA-N 1 0 240.734 1.279 10 0 BDAERO CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)OC[C@@H]1CC ZINC000037619472 169006230 /nfs/dbraw/zinc/00/62/30/169006230.db2.gz FLKNHPUVZGPPEY-SRVKXCTJSA-N 1 0 242.363 1.530 10 0 BDAERO CCCC[C@H]([NH3+])C(=O)NCCCCCCO ZINC000083357614 169006551 /nfs/dbraw/zinc/00/65/51/169006551.db2.gz BJRLCMGCYZSCMA-NSHDSACASA-N 1 0 230.352 1.173 10 0 BDAERO CCCC[C@H]([NH3+])C(=O)Nc1ccc(OC)nc1 ZINC000037619226 169007319 /nfs/dbraw/zinc/00/73/19/169007319.db2.gz QTPNPWWIVBXEJA-JTQLQIEISA-N 1 0 237.303 1.546 10 0 BDAERO OCCn1c2ccccc2nc1CC[NH2+]C1CC1 ZINC000037900754 183102255 /nfs/dbraw/zinc/10/22/55/183102255.db2.gz FSXALIVTINWNCI-UHFFFAOYSA-N 1 0 245.326 1.323 10 0 BDAERO OC[C@@H](NCCC[NH+]1CCCC1)c1ccccc1 ZINC000063001596 183107095 /nfs/dbraw/zinc/10/70/95/183107095.db2.gz AXBRMEVRFASYKI-OAHLLOKOSA-N 1 0 248.370 1.796 10 0 BDAERO OC[C@@]1([NH2+]CC2CC2)CCCSC1 ZINC000061590913 183133656 /nfs/dbraw/zinc/13/36/56/183133656.db2.gz PMVJYCNTJDYUBL-JTQLQIEISA-N 1 0 201.335 1.244 10 0 BDAERO OC[C@@]1(O)CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000313687412 183135689 /nfs/dbraw/zinc/13/56/89/183135689.db2.gz SBDZRYTTYPXCBO-DZGCQCFKSA-N 1 0 247.338 1.146 10 0 BDAERO OC[C@H](CCc1ccccc1)N1CCC[NH2+]CC1 ZINC000061625892 183137537 /nfs/dbraw/zinc/13/75/37/183137537.db2.gz DBEOSKFZZCRRTO-HNNXBMFYSA-N 1 0 248.370 1.275 10 0 BDAERO CCCN(C(=O)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000037470227 169040249 /nfs/dbraw/zinc/04/02/49/169040249.db2.gz RHBLQMGOQSLRIB-LBPRGKRZSA-N 1 0 224.348 1.777 10 0 BDAERO O[C@@H](C[NH2+]CCc1ccccc1)c1ccncc1 ZINC000032100417 183179691 /nfs/dbraw/zinc/17/96/91/183179691.db2.gz LXJPFTRDAFJRKL-HNNXBMFYSA-N 1 0 242.322 1.947 10 0 BDAERO OCc1cccc(N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000037508981 183168328 /nfs/dbraw/zinc/16/83/28/183168328.db2.gz DJRHMNCDYZNQQK-CQSZACIVSA-N 1 0 232.327 1.685 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccn1 ZINC000084231686 183196025 /nfs/dbraw/zinc/19/60/25/183196025.db2.gz PFYLTKGUQGOBCG-ZYHUDNBSSA-N 1 0 206.289 1.332 10 0 BDAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000040505152 183196036 /nfs/dbraw/zinc/19/60/36/183196036.db2.gz ZHBSPODMTZYOTL-PSASIEDQSA-N 1 0 212.318 1.536 10 0 BDAERO O[C@@H]1CC[NH2+]C[C@H]1Cc1ccc(Cl)s1 ZINC000076678760 183200688 /nfs/dbraw/zinc/20/06/88/183200688.db2.gz UJLQIYRBNHKESH-VXNVDRBHSA-N 1 0 231.748 1.914 10 0 BDAERO O[C@@H]1CC[NH2+][C@H](Cc2ccc(Cl)cc2)C1 ZINC000066348076 183201351 /nfs/dbraw/zinc/20/13/51/183201351.db2.gz YJFDTCMKBVEWIM-VXGBXAGGSA-N 1 0 225.719 1.995 10 0 BDAERO O[C@@H]1CC[NH2+][C@H]1c1ccccc1Br ZINC000096987599 183202671 /nfs/dbraw/zinc/20/26/71/183202671.db2.gz OILYTLRIBGHLBR-ZJUUUORDSA-N 1 0 242.116 1.844 10 0 BDAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccco1 ZINC000077204310 183187855 /nfs/dbraw/zinc/18/78/55/183187855.db2.gz HFTBGKLRGKFRQV-ZYHUDNBSSA-N 1 0 209.289 1.920 10 0 BDAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000042540589 183188404 /nfs/dbraw/zinc/18/84/04/183188404.db2.gz DIAXPZGPFADUPE-NWDGAFQWSA-N 1 0 223.320 1.166 10 0 BDAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cncnc1 ZINC000130648821 183188496 /nfs/dbraw/zinc/18/84/96/183188496.db2.gz NUQVBXHKRIHUIO-VXGBXAGGSA-N 1 0 221.304 1.260 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cscn1 ZINC000084223883 183195448 /nfs/dbraw/zinc/19/54/48/183195448.db2.gz ZYRKLMPVOCSZQN-PSASIEDQSA-N 1 0 212.318 1.394 10 0 BDAERO O[C@H](CC[NH2+]C[C@H]1CCCO1)c1cccs1 ZINC000049830699 183218879 /nfs/dbraw/zinc/21/88/79/183218879.db2.gz HMNKSOPRQWDBEZ-GHMZBOCLSA-N 1 0 241.356 1.940 10 0 BDAERO O[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000358985165 183221590 /nfs/dbraw/zinc/22/15/90/183221590.db2.gz UXHJWSDNCDJBQJ-BIIVOSGPSA-N 1 0 209.211 1.394 10 0 BDAERO O[C@H](C[NH2+]C1CC1)c1ccc2c(c1)OCCCO2 ZINC000048330649 183223182 /nfs/dbraw/zinc/22/31/82/183223182.db2.gz NRWFMPZFCGSGOW-GFCCVEGCSA-N 1 0 249.310 1.633 10 0 BDAERO O[C@H](c1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]1 ZINC000036160544 183229407 /nfs/dbraw/zinc/22/94/07/183229407.db2.gz RLTPQNMCUMVLMJ-BXKDBHETSA-N 1 0 221.256 1.201 10 0 BDAERO O[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)c1ccccc1 ZINC000071396399 183229705 /nfs/dbraw/zinc/22/97/05/183229705.db2.gz OSSUJQNEICUQGN-GHMZBOCLSA-N 1 0 245.282 1.576 10 0 BDAERO O[C@H]1CCC2(C[C@@H]1[NH+]1CCCCC1)OCCO2 ZINC000044119771 183230592 /nfs/dbraw/zinc/23/05/92/183230592.db2.gz FXYIXQRQOKKPPC-RYUDHWBXSA-N 1 0 241.331 1.129 10 0 BDAERO O[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000037881296 183231665 /nfs/dbraw/zinc/23/16/65/183231665.db2.gz XYAREXNEBNQABY-STQMWFEESA-N 1 0 220.316 1.865 10 0 BDAERO CCCN([C@H](C)C(=O)OCC)C1CC[NH2+]CC1 ZINC000043638430 169091338 /nfs/dbraw/zinc/09/13/38/169091338.db2.gz MKCDBKUKTKEKKW-LLVKDONJSA-N 1 0 242.363 1.402 10 0 BDAERO O[C@@H]1COC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000042396326 183211087 /nfs/dbraw/zinc/21/10/87/183211087.db2.gz HMAIEXYFTYYTQY-VXGBXAGGSA-N 1 0 241.718 1.232 10 0 BDAERO CCC[N@H+](CC(=O)NC)Cc1cccc(N)c1C ZINC000042403711 169094509 /nfs/dbraw/zinc/09/45/09/169094509.db2.gz XCURLMUPBGBUOU-UHFFFAOYSA-N 1 0 249.358 1.535 10 0 BDAERO CCCN(CC(=O)NC)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042406218 169096208 /nfs/dbraw/zinc/09/62/08/169096208.db2.gz HOLHDTFFFTXTCI-RYUDHWBXSA-N 1 0 241.379 1.104 10 0 BDAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cccnc1 ZINC000084227917 183238683 /nfs/dbraw/zinc/23/86/83/183238683.db2.gz WNZUHUGTGTUICP-RYUDHWBXSA-N 1 0 206.289 1.332 10 0 BDAERO O[C@H]1CC[NH2+][C@@H]1c1cccc(Br)c1 ZINC000096987606 183240778 /nfs/dbraw/zinc/24/07/78/183240778.db2.gz LIGGHZBXLFEUBA-VHSXEESVSA-N 1 0 242.116 1.844 10 0 BDAERO O[C@H]1CCOC[C@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062955761 183240919 /nfs/dbraw/zinc/24/09/19/183240919.db2.gz PTDFSKKPGHYENE-OLZOCXBDSA-N 1 0 239.359 1.792 10 0 BDAERO CCCN(CC)C(=O)[C@@H]1[NH2+]CCC[C@H]1C ZINC000051792551 169116724 /nfs/dbraw/zinc/11/67/24/169116724.db2.gz XZENLZOZHOAHHF-GHMZBOCLSA-N 1 0 212.337 1.633 10 0 BDAERO O[C@H]1COC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000037876715 183246492 /nfs/dbraw/zinc/24/64/92/183246492.db2.gz MNQSBGVCFQAAIP-MNOVXSKESA-N 1 0 227.691 1.189 10 0 BDAERO O[C@H]1COC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000037893492 183246514 /nfs/dbraw/zinc/24/65/14/183246514.db2.gz HFVKLWUKFGKWEG-MCIONIFRSA-N 1 0 233.311 1.413 10 0 BDAERO O[C@H]1COC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000042396320 183246518 /nfs/dbraw/zinc/24/65/18/183246518.db2.gz HMAIEXYFTYYTQY-NEPJUHHUSA-N 1 0 241.718 1.232 10 0 BDAERO O[C@H]1COC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000037893494 183246551 /nfs/dbraw/zinc/24/65/51/183246551.db2.gz HFVKLWUKFGKWEG-RDBSUJKOSA-N 1 0 233.311 1.413 10 0 BDAERO O[C@]1(c2cccc3[nH]ccc32)CCC[NH2+]C1 ZINC000039334258 183251371 /nfs/dbraw/zinc/25/13/71/183251371.db2.gz NQLNPSSRYIQAGF-CYBMUJFWSA-N 1 0 216.284 1.739 10 0 BDAERO O[C@]12CCCC[C@H]1C[N@@H+](C1CCOCC1)CC2 ZINC000128498693 183252931 /nfs/dbraw/zinc/25/29/31/183252931.db2.gz WGTQYCQVOWYJTJ-JSGCOSHPSA-N 1 0 239.359 1.792 10 0 BDAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000305431618 183232418 /nfs/dbraw/zinc/23/24/18/183232418.db2.gz FGILIRGLQJCQMY-KGLIPLIRSA-N 1 0 249.358 1.893 10 0 BDAERO CCC[NH+](CCC)[C@@H](CN)[C@@H]1CCOC1 ZINC000022222534 169150494 /nfs/dbraw/zinc/15/04/94/169150494.db2.gz MAVMBZITIPSSLZ-NEPJUHHUSA-N 1 0 214.353 1.472 10 0 BDAERO CCC[N@H+](CC)Cc1ccc(C(N)=O)cc1N ZINC000037273276 169128624 /nfs/dbraw/zinc/12/86/24/169128624.db2.gz AYRVZNZXAUUUAV-UHFFFAOYSA-N 1 0 235.331 1.600 10 0 BDAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@@H]1CCCO1 ZINC000019963824 183281739 /nfs/dbraw/zinc/28/17/39/183281739.db2.gz BHWVJDQIRGFEJL-JQWIXIFHSA-N 1 0 235.283 1.594 10 0 BDAERO Oc1ccc2c(c1)C[C@H]1CCC[NH2+][C@@H]1C2 ZINC000039209715 183279562 /nfs/dbraw/zinc/27/95/62/183279562.db2.gz LFUCQBCYFTZJHM-ZWNOBZJWSA-N 1 0 203.285 1.859 10 0 BDAERO CCC[NH+](CCC)CC[C@H](NC(C)C)C(N)=O ZINC000062442131 169147457 /nfs/dbraw/zinc/14/74/57/169147457.db2.gz HAGFYEQTWSOBEL-LBPRGKRZSA-N 1 0 243.395 1.350 10 0 BDAERO CCCN(CC[NH+](C)C)Cc1ccnc(N)c1 ZINC000052728006 169157534 /nfs/dbraw/zinc/15/75/34/169157534.db2.gz NAPZEYBLHJBNSF-UHFFFAOYSA-N 1 0 236.363 1.437 10 0 BDAERO CCCN(CC[NH3+])C(=O)[C@@H]1Cc2ccccc2O1 ZINC000041160600 169158759 /nfs/dbraw/zinc/15/87/59/169158759.db2.gz ATMBSMJQDMAKET-ZDUSSCGKSA-N 1 0 248.326 1.187 10 0 BDAERO CCCN(CCO)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000042906515 169166076 /nfs/dbraw/zinc/16/60/76/169166076.db2.gz OQCUGKSIUZGWBE-AWEZNQCLSA-N 1 0 236.359 1.699 10 0 BDAERO CCCN(CCO)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042915048 169167778 /nfs/dbraw/zinc/16/77/78/169167778.db2.gz KCVADMJZAZCKCY-ZDUSSCGKSA-N 1 0 240.322 1.530 10 0 BDAERO CCC[N@H+](CC[C@H](NCC)C(=O)OC)C1CC1 ZINC000062447391 169170863 /nfs/dbraw/zinc/17/08/63/169170863.db2.gz MCOFOYLTTKDYNW-LBPRGKRZSA-N 1 0 242.363 1.402 10 0 BDAERO CCC[NH+]1CCC(n2nc(C)cc2N)CC1 ZINC000043666830 169192107 /nfs/dbraw/zinc/19/21/07/169192107.db2.gz SUZCIMKCVDSQQN-UHFFFAOYSA-N 1 0 222.336 1.821 10 0 BDAERO c1cnc2[nH]c(N[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095068067 183328637 /nfs/dbraw/zinc/32/86/37/183328637.db2.gz GEXZPGRLRUREHF-QMMMGPOBSA-N 1 0 217.276 1.073 10 0 BDAERO c1cc(-c2nc([C@@H]3CC[NH2+]C3)no2)ccn1 ZINC000169676342 183331049 /nfs/dbraw/zinc/33/10/49/183331049.db2.gz JBDNVXGLNFCPBG-SECBINFHSA-N 1 0 216.244 1.209 10 0 BDAERO CCCNC(=O)C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555982 169227389 /nfs/dbraw/zinc/22/73/89/169227389.db2.gz HPDKPVYVCKKALR-LBPRGKRZSA-N 1 0 243.395 1.079 10 0 BDAERO CCCNC(=O)COc1cccc(C[NH2+]C)c1 ZINC000034816104 169231630 /nfs/dbraw/zinc/23/16/30/169231630.db2.gz TULLXNJLGMXYBU-UHFFFAOYSA-N 1 0 236.315 1.311 10 0 BDAERO CCCNC(=O)COc1cccc(CC[NH3+])c1 ZINC000037721238 169231758 /nfs/dbraw/zinc/23/17/58/169231758.db2.gz ZBDBTGXRSZLVJZ-UHFFFAOYSA-N 1 0 236.315 1.093 10 0 BDAERO CCCNC(=O)COc1ccccc1[C@@H](C)[NH3+] ZINC000019281926 169231883 /nfs/dbraw/zinc/23/18/83/169231883.db2.gz NWHDVUHRLZHUCU-SNVBAGLBSA-N 1 0 236.315 1.611 10 0 BDAERO c1nnc(-c2cccc(NC3CC[NH2+]CC3)c2)o1 ZINC000038040753 183356914 /nfs/dbraw/zinc/35/69/14/183356914.db2.gz URFIJJFPHHIWRD-UHFFFAOYSA-N 1 0 244.298 1.901 10 0 BDAERO CCCNC(=O)CN(C)[C@@H](C[NH3+])c1ccccc1 ZINC000042899334 169218500 /nfs/dbraw/zinc/21/85/00/169218500.db2.gz ZGECDWBHBYVZFR-ZDUSSCGKSA-N 1 0 249.358 1.144 10 0 BDAERO c1cc(OCC[C@@H]2CCC[NH2+]C2)ncn1 ZINC000051918485 183358663 /nfs/dbraw/zinc/35/86/63/183358663.db2.gz WJSDCVWTSQDLFQ-JTQLQIEISA-N 1 0 207.277 1.245 10 0 BDAERO c1cc(C2CC2)nc(C2CC[NH2+]CC2)n1 ZINC000070951580 183334773 /nfs/dbraw/zinc/33/47/73/183334773.db2.gz WZNIZNDIYUEGGX-UHFFFAOYSA-N 1 0 203.289 1.821 10 0 BDAERO c1cc2nc(CC[C@H]3CCC[NH2+]C3)nc-2c[nH]1 ZINC000071166726 183363659 /nfs/dbraw/zinc/36/36/59/183363659.db2.gz MNFAFSZABFBRPX-SNVBAGLBSA-N 1 0 230.315 1.890 10 0 BDAERO CCC[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000020056586 169255206 /nfs/dbraw/zinc/25/52/06/169255206.db2.gz QMSZQEISKNYNCW-UHFFFAOYSA-N 1 0 206.289 1.933 10 0 BDAERO c1cc2c(c(N3CCCC3)c1)CC[NH2+]C2 ZINC000082792607 183365443 /nfs/dbraw/zinc/36/54/43/183365443.db2.gz DETFJAMYSPHHBK-UHFFFAOYSA-N 1 0 202.301 1.933 10 0 BDAERO c1cc(-c2noc(C3C[NH2+]C3)n2)cc2c1OCC2 ZINC000048981109 183366159 /nfs/dbraw/zinc/36/61/59/183366159.db2.gz KFYNRJMEQWRIKS-UHFFFAOYSA-N 1 0 243.266 1.358 10 0 BDAERO c1cc(C[NH2+]C[C@H]2CCOC2)cc2c1OCO2 ZINC000020124443 183368313 /nfs/dbraw/zinc/36/83/13/183368313.db2.gz UYPBYWCOVRIDJD-LLVKDONJSA-N 1 0 235.283 1.541 10 0 BDAERO c1cc2c(cc1NCC[NH+]1CCCC1)OCCO2 ZINC000041301148 183369148 /nfs/dbraw/zinc/36/91/48/183369148.db2.gz KRHITFLGCVPWGM-UHFFFAOYSA-N 1 0 248.326 1.966 10 0 BDAERO CCC[NH2+]CCO[C@H](C)C(=O)NCCC(C)C ZINC000051844694 169260505 /nfs/dbraw/zinc/26/05/05/169260505.db2.gz COGZOQAXHUJSQZ-GFCCVEGCSA-N 1 0 244.379 1.553 10 0 BDAERO c1cc(OC[C@@H]2CCCC[NH2+]2)cc2c1OCO2 ZINC000019843684 183370695 /nfs/dbraw/zinc/37/06/95/183370695.db2.gz LQPZAFSFQPLTAI-JTQLQIEISA-N 1 0 235.283 1.936 10 0 BDAERO c1n[nH]c2cc(NC3CC[NH2+]CC3)ccc12 ZINC000038041362 183375748 /nfs/dbraw/zinc/37/57/48/183375748.db2.gz UTRMLXGAOGPTSN-UHFFFAOYSA-N 1 0 216.288 1.727 10 0 BDAERO CCCNC(=O)[C@@H](CC[NH3+])c1ccco1 ZINC000076584917 169243208 /nfs/dbraw/zinc/24/32/08/169243208.db2.gz XEGQZHFJHQZFQK-VIFPVBQESA-N 1 0 210.277 1.238 10 0 BDAERO c1ccc(CC2CCN(C3=[NH+]CCN3)CC2)cc1 ZINC000021147307 183390828 /nfs/dbraw/zinc/39/08/28/183390828.db2.gz ORKBWDKDIYRBQB-UHFFFAOYSA-N 1 0 243.354 1.900 10 0 BDAERO CCC[NH2+]C[C@H]1Cc2ccccc2CN1 ZINC000040398002 169264451 /nfs/dbraw/zinc/26/44/51/169264451.db2.gz ZJIDNSUMNZHBCH-CYBMUJFWSA-N 1 0 204.317 1.701 10 0 BDAERO CCC[NH2+]C[C@H]1CCCN(CC(=O)OCC)C1 ZINC000104412999 169264933 /nfs/dbraw/zinc/26/49/33/169264933.db2.gz SBYFRVZFJANYSH-GFCCVEGCSA-N 1 0 242.363 1.261 10 0 BDAERO CCC[NH2+]Cc1c(C)nn(C)c1N(C)C1CC1 ZINC000034824660 169265958 /nfs/dbraw/zinc/26/59/58/169265958.db2.gz BGJHPTLGAFASJM-UHFFFAOYSA-N 1 0 236.363 1.827 10 0 BDAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1CCC(N)=O ZINC000104429858 169276087 /nfs/dbraw/zinc/27/60/87/169276087.db2.gz IGXKETUWWHBZQL-RYUDHWBXSA-N 1 0 241.379 1.104 10 0 BDAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1CCC(N)=O ZINC000104429866 169276110 /nfs/dbraw/zinc/27/61/10/169276110.db2.gz IGXKETUWWHBZQL-NWDGAFQWSA-N 1 0 241.379 1.104 10 0 BDAERO CCC[NH2+][C@@H]1CCN([C@@H]2CCC[C@@H]2OC)C1=O ZINC000050374104 169283479 /nfs/dbraw/zinc/28/34/79/169283479.db2.gz NUZRTVAFPOKWGQ-UTUOFQBUSA-N 1 0 240.347 1.154 10 0 BDAERO CCCOCCOC(=O)c1ccc(C[NH3+])cc1 ZINC000104242387 169308860 /nfs/dbraw/zinc/30/88/60/169308860.db2.gz LWIYLPWEJNRSQN-UHFFFAOYSA-N 1 0 237.299 1.729 10 0 BDAERO CCCOCCC(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054435339 169308868 /nfs/dbraw/zinc/30/88/68/169308868.db2.gz XYKADRATQQGZIR-YOGCLGLASA-N 1 0 240.347 1.284 10 0 BDAERO CCCOCCOC[C@H]1CC[C@@H](C[NH2+]CC)O1 ZINC000104239425 169309481 /nfs/dbraw/zinc/30/94/81/169309481.db2.gz OHWYFPZEBJYAEP-QWHCGFSZSA-N 1 0 245.363 1.587 10 0 BDAERO CCCOC[C@H](O)COc1ccc(C[NH3+])cc1 ZINC000035728168 169309918 /nfs/dbraw/zinc/30/99/18/169309918.db2.gz WQSSLECUILVILE-LBPRGKRZSA-N 1 0 239.315 1.312 10 0 BDAERO CCCOCCO[C@@H]1CCCC[C@H]1[NH3+] ZINC000082528489 169309935 /nfs/dbraw/zinc/30/99/35/169309935.db2.gz ZPQMOXQWCGYACI-GHMZBOCLSA-N 1 0 201.310 1.700 10 0 BDAERO CCCO[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000035234730 169311926 /nfs/dbraw/zinc/31/19/26/169311926.db2.gz WGHNXGULUUZWSX-SNVBAGLBSA-N 1 0 236.315 1.899 10 0 BDAERO CCC[NH2+][C@@H](c1cnn(C)c1)c1ccncc1 ZINC000035584183 169290890 /nfs/dbraw/zinc/29/08/90/169290890.db2.gz LYEDFMYBUNQJRK-CYBMUJFWSA-N 1 0 230.315 1.904 10 0 BDAERO CCCOc1ccc([C@](C)(O)C[NH2+]C)cc1 ZINC000032014618 169322586 /nfs/dbraw/zinc/32/25/86/169322586.db2.gz HGMOIDQTGSCFGY-CYBMUJFWSA-N 1 0 223.316 1.902 10 0 BDAERO c1[nH]c2ccccc2c1[C@@H]1COCC[NH2+]1 ZINC000071508417 183439616 /nfs/dbraw/zinc/43/96/16/183439616.db2.gz OOYVNBSPZDBGTG-LBPRGKRZSA-N 1 0 202.257 1.829 10 0 BDAERO CCCS(=O)(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000075417442 169329497 /nfs/dbraw/zinc/32/94/97/169329497.db2.gz LTGNFRYOPKQMFU-MRVPVSSYSA-N 1 0 207.339 1.185 10 0 BDAERO CCCS(=O)(=O)C[C@@H]([NH3+])C1CCCCC1 ZINC000075418149 169329872 /nfs/dbraw/zinc/32/98/72/169329872.db2.gz DWHIKSTXJXDYCC-LLVKDONJSA-N 1 0 233.377 1.719 10 0 BDAERO CCCS(=O)(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000022220313 169334178 /nfs/dbraw/zinc/33/41/78/169334178.db2.gz BKEUHDRGFFHONP-SECBINFHSA-N 1 0 242.344 1.858 10 0 BDAERO CCCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000075418243 169334389 /nfs/dbraw/zinc/33/43/89/169334389.db2.gz FIIOLIQOQRWFII-PWSUYJOCSA-N 1 0 241.356 1.900 10 0 BDAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccccn1)[NH+](C)C ZINC000135339866 169344705 /nfs/dbraw/zinc/34/47/05/169344705.db2.gz ZKJQEAMJDKLHPY-AAEUAGOBSA-N 1 0 249.358 1.989 10 0 BDAERO CCC[C@@H](C)NC(=O)CN(CCC)CCC[NH3+] ZINC000049287584 169367708 /nfs/dbraw/zinc/36/77/08/169367708.db2.gz JJQDXBXSKPWMIA-GFCCVEGCSA-N 1 0 243.395 1.352 10 0 BDAERO c1cnc2[nH]c(OCCC3CC[NH2+]CC3)nc2c1 ZINC000095092505 183487580 /nfs/dbraw/zinc/48/75/80/183487580.db2.gz PPDXZAPLAFDGQS-UHFFFAOYSA-N 1 0 246.314 1.726 10 0 BDAERO CCC[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038048638 169351769 /nfs/dbraw/zinc/35/17/69/169351769.db2.gz LQTFQMLWHGDRNG-VWYCJHECSA-N 1 0 212.337 1.809 10 0 BDAERO c1cnc(COC[C@H]2CCCC[NH2+]2)cn1 ZINC000095092700 183478533 /nfs/dbraw/zinc/47/85/33/183478533.db2.gz XYOSTQRKRGDQIT-SNVBAGLBSA-N 1 0 207.277 1.135 10 0 BDAERO CCC[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000371480877 169371321 /nfs/dbraw/zinc/37/13/21/169371321.db2.gz RRLULBBKXOAGGM-MNOVXSKESA-N 1 0 207.321 1.976 10 0 BDAERO COC1CC([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC000221177461 134316903 /nfs/dbraw/zinc/31/69/03/134316903.db2.gz SXIGOQWYRFYWGJ-HBIQZDMRSA-N 1 0 213.321 1.305 10 0 BDAERO CCC[C@@H]([NH3+])c1noc([C@H]2CCCOC2)n1 ZINC000062243426 169394832 /nfs/dbraw/zinc/39/48/32/169394832.db2.gz RJUOZQDXOMGAJL-DTWKUNHWSA-N 1 0 225.292 1.764 10 0 BDAERO CCC[C@@H](C(=O)N[C@H](CO)CC(C)C)[NH+](C)C ZINC000179986837 134325237 /nfs/dbraw/zinc/32/52/37/134325237.db2.gz BNWXEFVAKQGNJO-RYUDHWBXSA-N 1 0 244.379 1.240 10 0 BDAERO CC(C)(C)OC(=O)N1CCC[C@H](CC(N)=[NH2+])C1 ZINC000095762264 166648936 /nfs/dbraw/zinc/64/89/36/166648936.db2.gz MAYMAMPGPJHZGO-SECBINFHSA-N 1 0 241.335 1.960 10 0 BDAERO CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000223865245 134343165 /nfs/dbraw/zinc/34/31/65/134343165.db2.gz OEIBJNPWABBFFY-TZMCWYRMSA-N 1 0 240.391 1.611 10 0 BDAERO CCC[C@H](Cc1nc(-c2cnccn2)no1)[NH2+]C ZINC000104071677 169499814 /nfs/dbraw/zinc/49/98/14/169499814.db2.gz DSWVNLMYERPFPF-SECBINFHSA-N 1 0 247.302 1.457 10 0 BDAERO CC[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261536348 535458007 /nfs/dbraw/zinc/45/80/07/535458007.db2.gz RILXVXQBSNQLSU-NXEZZACHSA-N 1 0 212.337 1.618 10 0 BDAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)NC ZINC000336730161 169526777 /nfs/dbraw/zinc/52/67/77/169526777.db2.gz IGAVQAZRCRIMHB-QWRGUYRKSA-N 1 0 248.392 1.094 10 0 BDAERO CCCc1cc(N[C@@H]2CCC[NH2+]C2)ncn1 ZINC000045955098 169567468 /nfs/dbraw/zinc/56/74/68/169567468.db2.gz KUWPZXDCVDGXMV-LLVKDONJSA-N 1 0 220.320 1.593 10 0 BDAERO CCCn1c(C)nnc1C[C@H]1CCC[NH2+]C1 ZINC000054302155 169612716 /nfs/dbraw/zinc/61/27/16/169612716.db2.gz SWCJDIQKDWDXDJ-LLVKDONJSA-N 1 0 222.336 1.539 10 0 BDAERO CCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N(C)C)C1 ZINC000227235921 134376469 /nfs/dbraw/zinc/37/64/69/134376469.db2.gz XWDOEWSRGRQLPU-GRYCIOLGSA-N 1 0 214.353 1.029 10 0 BDAERO CC[n+]1ccc(C)c(CCOC(C)=O)c1 ZINC000000227215 383844968 /nfs/dbraw/zinc/84/49/68/383844968.db2.gz HVOWDNRHRNRNEY-UHFFFAOYSA-N 1 0 208.281 1.408 10 0 BDAERO CC[C@@H]1CCN(C(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000643733393 383867159 /nfs/dbraw/zinc/86/71/59/383867159.db2.gz BIRJTRASJOCTRE-YPMHNXCESA-N 1 0 240.347 1.014 10 0 BDAERO CN(Cc1ccccn1)C[C@@H]1CCCC[NH2+]1 ZINC000036777701 383911122 /nfs/dbraw/zinc/91/11/22/383911122.db2.gz JAVPSYNOSZUOPL-ZDUSSCGKSA-N 1 0 219.332 1.656 10 0 BDAERO CC[C@H]([NH3+])C(=O)Nc1cccc2c[nH]nc21 ZINC000037044415 383932769 /nfs/dbraw/zinc/93/27/69/383932769.db2.gz LZYFEVSNPGCFCI-QMMMGPOBSA-N 1 0 218.260 1.239 10 0 BDAERO COC[C@@]1(C(=O)Nc2ccccc2)CCC[NH2+]1 ZINC000643613657 383993191 /nfs/dbraw/zinc/99/31/91/383993191.db2.gz AFUCBTCEKKECLJ-CYBMUJFWSA-N 1 0 234.299 1.394 10 0 BDAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000643614387 383996744 /nfs/dbraw/zinc/99/67/44/383996744.db2.gz UYKHIGNKEXXLJU-YPMHNXCESA-N 1 0 248.326 1.100 10 0 BDAERO CCN(C(=O)[C@@H]1C[NH2+]CCOC1)c1ccccc1 ZINC000643614372 383997028 /nfs/dbraw/zinc/99/70/28/383997028.db2.gz UMVLGSWPXPXASF-GFCCVEGCSA-N 1 0 248.326 1.276 10 0 BDAERO CC[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643614353 383997462 /nfs/dbraw/zinc/99/74/62/383997462.db2.gz SYXFASYARWTODR-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2C[NH2+]C[C@H]21 ZINC000113038272 383962726 /nfs/dbraw/zinc/96/27/26/383962726.db2.gz HODGRZURVLFVKM-BBBLOLIVSA-N 1 0 226.320 1.509 10 0 BDAERO CCCCN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643614976 384017788 /nfs/dbraw/zinc/01/77/88/384017788.db2.gz SGNIURSHBGSFQZ-GFCCVEGCSA-N 1 0 228.336 1.014 10 0 BDAERO C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)CO1 ZINC000401794679 384020885 /nfs/dbraw/zinc/02/08/85/384020885.db2.gz PSHMYXKEBZGDIW-UTLUCORTSA-N 1 0 201.310 1.160 10 0 BDAERO Cc1nccc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000309452524 384089534 /nfs/dbraw/zinc/08/95/34/384089534.db2.gz RIVJNSRKEXRFEA-BXKDBHETSA-N 1 0 220.320 1.206 10 0 BDAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2cccn2)o1 ZINC000038097536 384071495 /nfs/dbraw/zinc/07/14/95/384071495.db2.gz VLLIVWNWKRPIJA-NWDGAFQWSA-N 1 0 249.314 1.496 10 0 BDAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccco1 ZINC000070256819 384097261 /nfs/dbraw/zinc/09/72/61/384097261.db2.gz YWDQZFXXNRJHPM-LLVKDONJSA-N 1 0 238.331 1.986 10 0 BDAERO CCOCC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116408067 384134213 /nfs/dbraw/zinc/13/42/13/384134213.db2.gz MPGUZMVFVMYYBE-LLVKDONJSA-N 1 0 223.320 1.246 10 0 BDAERO CCc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)o1 ZINC000091667350 384138032 /nfs/dbraw/zinc/13/80/32/384138032.db2.gz RNXZYXPTOYRPTG-ZDUSSCGKSA-N 1 0 238.331 1.262 10 0 BDAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccn1 ZINC000091667145 384137145 /nfs/dbraw/zinc/13/71/45/384137145.db2.gz IVZOLUFKODMKHD-VXGBXAGGSA-N 1 0 235.331 1.063 10 0 BDAERO CC(C)(C)c1cc(NN)[nH+]nc1Cl ZINC000091356121 384119814 /nfs/dbraw/zinc/11/98/14/384119814.db2.gz HLIKYPJWBHIEFE-UHFFFAOYSA-N 1 0 200.673 1.713 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccoc1 ZINC000163192371 384154993 /nfs/dbraw/zinc/15/49/93/384154993.db2.gz OKLASHPLMSIORS-PSASIEDQSA-N 1 0 210.277 1.269 10 0 BDAERO CC(C)(C)OC(=O)N1CC=C(C[NH3+])CC1 ZINC000091675890 384138397 /nfs/dbraw/zinc/13/83/97/384138397.db2.gz JUNBPSANVJHLJD-UHFFFAOYSA-N 1 0 212.293 1.512 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccccc1 ZINC000092055952 384162927 /nfs/dbraw/zinc/16/29/27/384162927.db2.gz FTNPZKSTFXGTAL-GXTWGEPZSA-N 1 0 234.343 1.668 10 0 BDAERO CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1CCO ZINC000071403971 384164776 /nfs/dbraw/zinc/16/47/76/384164776.db2.gz KVQSYLARZVDLQF-ZDUSSCGKSA-N 1 0 226.364 1.173 10 0 BDAERO CO[C@H](C)C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227982843 134396447 /nfs/dbraw/zinc/39/64/47/134396447.db2.gz MFIADMOMQYLRRY-XQQFMLRXSA-N 1 0 226.364 1.580 10 0 BDAERO Cn1cc(CCC[NH2+]C[C@@H]2CCC[C@@H]2O)cn1 ZINC000314593083 384178134 /nfs/dbraw/zinc/17/81/34/384178134.db2.gz XBPFRRCYUKXOIC-STQMWFEESA-N 1 0 237.347 1.103 10 0 BDAERO CC[C@H]([NH3+])[C@@H](C)N1CCOC(C)(C)C1 ZINC000036232347 384186098 /nfs/dbraw/zinc/18/60/98/384186098.db2.gz FQGMQPPPSKRDOW-ZJUUUORDSA-N 1 0 200.326 1.223 10 0 BDAERO C[C@H](C[NH3+])Cn1cccc(Br)c1=O ZINC000157152178 384183562 /nfs/dbraw/zinc/18/35/62/384183562.db2.gz ILRIWCUTZWJUMI-SSDOTTSWSA-N 1 0 245.120 1.206 10 0 BDAERO C[C@@H]([NH3+])C(=O)Nc1ccncc1Br ZINC000126965801 384232798 /nfs/dbraw/zinc/23/27/98/384232798.db2.gz JVSTYGUGSODZRC-RXMQYKEDSA-N 1 0 244.092 1.130 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)o1 ZINC000282338918 384237149 /nfs/dbraw/zinc/23/71/49/384237149.db2.gz MBGFEJSFEQRXSC-GXSJLCMTSA-N 1 0 222.288 1.345 10 0 BDAERO CCC[C@H](CC)NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000082560011 384237451 /nfs/dbraw/zinc/23/74/51/384237451.db2.gz XLIPMYHXTNPCSS-DCAQKATOSA-N 1 0 212.337 1.537 10 0 BDAERO Cc1csc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)n1 ZINC000282340839 384237776 /nfs/dbraw/zinc/23/77/76/384237776.db2.gz MDRBIGSIOYINHS-DTWKUNHWSA-N 1 0 239.344 1.208 10 0 BDAERO C[C@H](N(C)C(=O)[C@@H]1C[NH2+]CCOC1)C(C)(C)C ZINC000643642172 384267405 /nfs/dbraw/zinc/26/74/05/384267405.db2.gz WJXBFTUKJHUVKP-WDEREUQCSA-N 1 0 242.363 1.115 10 0 BDAERO c1ccc2[nH]c(OC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000043220291 384267439 /nfs/dbraw/zinc/26/74/39/384267439.db2.gz AKQCMSCCKTZBJN-SNVBAGLBSA-N 1 0 231.299 1.941 10 0 BDAERO O=C1CC[NH2+]C[C@@H]1c1ccc2[nH]ccc2n1 ZINC000074115614 384274655 /nfs/dbraw/zinc/27/46/55/384274655.db2.gz DMJSDPHBFMVIDL-MRVPVSSYSA-N 1 0 215.256 1.209 10 0 BDAERO [NH3+][C@H]1CCOC[C@@H]1Cc1ccc(F)cc1 ZINC000074155767 384275329 /nfs/dbraw/zinc/27/53/29/384275329.db2.gz KHIBBEBUSYFDLL-JQWIXIFHSA-N 1 0 209.264 1.732 10 0 BDAERO [NH3+][C@@H]1CCOC[C@@H]1Cc1cccc(F)c1 ZINC000074155758 384275454 /nfs/dbraw/zinc/27/54/54/384275454.db2.gz KLBFYQWSIWEERV-CMPLNLGQSA-N 1 0 209.264 1.732 10 0 BDAERO Cc1ccoc1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000335552866 384320090 /nfs/dbraw/zinc/32/00/90/384320090.db2.gz LGVSDMHKXPQZSA-DTWKUNHWSA-N 1 0 208.261 1.150 10 0 BDAERO Cc1nnc(S[C@H]2CCC[NH2+]C2)s1 ZINC000043501702 384280520 /nfs/dbraw/zinc/28/05/20/384280520.db2.gz JEXPRHPUTDMGMK-ZETCQYMHSA-N 1 0 215.347 1.691 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cccnc1 ZINC000282447715 384281098 /nfs/dbraw/zinc/28/10/98/384281098.db2.gz SEYKRRKLOXFHGP-UMNHJUIQSA-N 1 0 233.315 1.399 10 0 BDAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cscn1 ZINC000282451053 384282510 /nfs/dbraw/zinc/28/25/10/384282510.db2.gz VAXFXPCZSSQSBA-CIUDSAMLSA-N 1 0 239.344 1.461 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H](CC)CSC ZINC000163312642 384285255 /nfs/dbraw/zinc/28/52/55/384285255.db2.gz LKBNGAGSAFFTKI-IUCAKERBSA-N 1 0 218.366 1.372 10 0 BDAERO Cc1nc(N2CCCO[C@@H](C[NH3+])C2)sc1C ZINC000313366463 384298336 /nfs/dbraw/zinc/29/83/36/384298336.db2.gz WOIIFTHEJHSPAG-JTQLQIEISA-N 1 0 241.360 1.314 10 0 BDAERO Cc1cnc(O[C@H]2CC[NH2+]C2)nc1Cl ZINC000095069343 384335123 /nfs/dbraw/zinc/33/51/23/384335123.db2.gz GHRMFNGNGFASIJ-ZETCQYMHSA-N 1 0 213.668 1.179 10 0 BDAERO Clc1ccnc(OC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070157 384336622 /nfs/dbraw/zinc/33/66/22/384336622.db2.gz PWDZHUSNFJLQKB-QMMMGPOBSA-N 1 0 227.695 1.651 10 0 BDAERO Clc1ccnc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000095070149 384337171 /nfs/dbraw/zinc/33/71/71/384337171.db2.gz JUYXPWNBKBPRBN-QMMMGPOBSA-N 1 0 226.711 1.684 10 0 BDAERO CN(CC(=O)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000095070694 384337341 /nfs/dbraw/zinc/33/73/41/384337341.db2.gz GUEJWYDKTNEQFA-SNVBAGLBSA-N 1 0 238.356 1.615 10 0 BDAERO Clc1ccnc(OCC2CC[NH2+]CC2)n1 ZINC000095070163 384337444 /nfs/dbraw/zinc/33/74/44/384337444.db2.gz KZOGBUMJRUJTGO-UHFFFAOYSA-N 1 0 227.695 1.508 10 0 BDAERO Clc1nccc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000095070344 384337528 /nfs/dbraw/zinc/33/75/28/384337528.db2.gz IVWHBMAQKLIMJW-VIFPVBQESA-N 1 0 241.722 1.899 10 0 BDAERO CN(Cc1ccnc(Cl)n1)C1CC[NH2+]CC1 ZINC000095070737 384338254 /nfs/dbraw/zinc/33/82/54/384338254.db2.gz VNOYTLFYPUOERL-UHFFFAOYSA-N 1 0 240.738 1.314 10 0 BDAERO Cc1ccc(N(C)C[C@@H]2CCC[NH2+]C2)nc1 ZINC000095071068 384338553 /nfs/dbraw/zinc/33/85/53/384338553.db2.gz GCWRYAUDKPVCIQ-GFCCVEGCSA-N 1 0 219.332 1.826 10 0 BDAERO CN(C[C@H]1CCC[NH2+]C1)c1ncccc1O ZINC000095071093 384339155 /nfs/dbraw/zinc/33/91/55/384339155.db2.gz VGKSLDGMLGMNIL-JTQLQIEISA-N 1 0 221.304 1.223 10 0 BDAERO CN(Cc1ccc(Cl)nn1)C[C@@H]1CC[NH2+]C1 ZINC000095071290 384340378 /nfs/dbraw/zinc/34/03/78/384340378.db2.gz UHIIWMRDMSNLJG-SECBINFHSA-N 1 0 240.738 1.171 10 0 BDAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1cc(Cl)ncn1 ZINC000095072230 384342867 /nfs/dbraw/zinc/34/28/67/384342867.db2.gz GDYRDEXGKUATLY-SFYZADRCSA-N 1 0 226.711 1.812 10 0 BDAERO Nc1nc2ccccc2nc1OC[C@@H]1CC[NH2+]C1 ZINC000095072190 384343406 /nfs/dbraw/zinc/34/34/06/384343406.db2.gz HWTGNBGETNRWQJ-SECBINFHSA-N 1 0 244.298 1.200 10 0 BDAERO [NH3+][C@H]1CCCC[C@H]1NCc1ccnc(Cl)n1 ZINC000095072303 384343460 /nfs/dbraw/zinc/34/34/60/384343460.db2.gz LOHCYXOLSPQMPU-VHSXEESVSA-N 1 0 240.738 1.490 10 0 BDAERO O=C(COC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000095072860 384345142 /nfs/dbraw/zinc/34/51/42/384345142.db2.gz OOGGXUIYXQLDPO-SNVBAGLBSA-N 1 0 223.272 1.621 10 0 BDAERO O=C(COC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000095072872 384345146 /nfs/dbraw/zinc/34/51/46/384345146.db2.gz XDSRJFYCPBOSLC-SECBINFHSA-N 1 0 209.245 1.231 10 0 BDAERO O=[S@@](c1nc2ccccc2o1)[C@@H]1CC[NH2+]C1 ZINC000095073000 384345698 /nfs/dbraw/zinc/34/56/98/384345698.db2.gz FJMPFDCZZVHSMU-BCTVWOGZSA-N 1 0 236.296 1.297 10 0 BDAERO O=C(COC[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000095072888 384346149 /nfs/dbraw/zinc/34/61/49/384346149.db2.gz DVONHUQFFGFOIY-NSHDSACASA-N 1 0 234.299 1.281 10 0 BDAERO O=[S@](C[C@H]1CCC[NH2+]1)c1nc2ccccc2[nH]1 ZINC000095073559 384347372 /nfs/dbraw/zinc/34/73/72/384347372.db2.gz KRFCPNBDRZEBFB-XLFHBGCDSA-N 1 0 249.339 1.423 10 0 BDAERO O=[S@@](Cc1cncs1)[C@H]1CCC[NH2+]C1 ZINC000095073461 384347603 /nfs/dbraw/zinc/34/76/03/384347603.db2.gz ANYSWZPNRKFWBZ-LKFCYVNXSA-N 1 0 230.358 1.144 10 0 BDAERO O=[S@@](C[C@@H]1CCCC[NH2+]1)c1nccs1 ZINC000095073492 384347941 /nfs/dbraw/zinc/34/79/41/384347941.db2.gz HJBYWBGDLNAAEG-RMLUDKJBSA-N 1 0 230.358 1.393 10 0 BDAERO O=[S@](Cc1ccccn1)CC1CC[NH2+]CC1 ZINC000095073726 384349641 /nfs/dbraw/zinc/34/96/41/384349641.db2.gz ZPIFLHXYCOCDHP-MRXNPFEDSA-N 1 0 238.356 1.330 10 0 BDAERO Cc1ncsc1CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000335587015 384352994 /nfs/dbraw/zinc/35/29/94/384352994.db2.gz YVYATYNMXLWRJL-MWLCHTKSSA-N 1 0 240.372 1.697 10 0 BDAERO FC(F)(F)N[C@@H]1CCC[N@@H+](C2CC2)C1 ZINC000095077029 384353266 /nfs/dbraw/zinc/35/32/66/384353266.db2.gz IGYZYBBCZQXFJW-SSDOTTSWSA-N 1 0 208.227 1.723 10 0 BDAERO CCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)nc1 ZINC000335590520 384354972 /nfs/dbraw/zinc/35/49/72/384354972.db2.gz POVQNZPXBLIHFD-RISCZKNCSA-N 1 0 234.343 1.847 10 0 BDAERO CCN(C[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000095091241 384360010 /nfs/dbraw/zinc/36/00/10/384360010.db2.gz CRWQVORSYCVUOP-MRVPVSSYSA-N 1 0 210.243 1.828 10 0 BDAERO C[C@H]1[C@@H](O)CCC[N@@H+]1CC1CCOCC1 ZINC000335598900 384369375 /nfs/dbraw/zinc/36/93/75/384369375.db2.gz ZPAZAVQFWHRTJW-JQWIXIFHSA-N 1 0 213.321 1.258 10 0 BDAERO Cc1ccnc([S@](=O)C2CC[NH2+]CC2)c1 ZINC000095069214 384331593 /nfs/dbraw/zinc/33/15/93/384331593.db2.gz GXOMAJTXIXXMTK-HNNXBMFYSA-N 1 0 224.329 1.250 10 0 BDAERO Cc1ccc([S@@](=O)C[C@@H]2CC[NH2+]C2)nc1 ZINC000095069064 384331768 /nfs/dbraw/zinc/33/17/68/384331768.db2.gz RBPYRHRFLGZJRA-MEBBXXQBSA-N 1 0 224.329 1.107 10 0 BDAERO Cc1ccc(SCC2CC[NH2+]CC2)nn1 ZINC000095069167 384332341 /nfs/dbraw/zinc/33/23/41/384332341.db2.gz YXKYLUOXYLEPJS-UHFFFAOYSA-N 1 0 223.345 1.877 10 0 BDAERO Cc1ccc([S@](=O)C[C@H]2CCCC[NH2+]2)nn1 ZINC000095069120 384332948 /nfs/dbraw/zinc/33/29/48/384332948.db2.gz QTUMFXQIUJTWOZ-HWPZZCPQSA-N 1 0 239.344 1.035 10 0 BDAERO Cc1ccnc([S@@](=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000095069225 384333000 /nfs/dbraw/zinc/33/30/00/384333000.db2.gz QIVZLAQAZARDBG-MEDUHNTESA-N 1 0 238.356 1.497 10 0 BDAERO Clc1cc(NC[C@H]2CC[NH2+]C2)ncn1 ZINC000095069822 384333948 /nfs/dbraw/zinc/33/39/48/384333948.db2.gz LVHVSNWENPWCMK-ZETCQYMHSA-N 1 0 212.684 1.151 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000095788742 384394792 /nfs/dbraw/zinc/39/47/92/384394792.db2.gz GAFTVDZYKAATRP-MLUIRONXSA-N 1 0 203.644 1.860 10 0 BDAERO [NH3+]C[C@H]1C[C@@H]2Cc3c4ccccc4[nH]c3CN2C1 ZINC000095828944 384399508 /nfs/dbraw/zinc/39/95/08/384399508.db2.gz SWGYRTDBCKJJOX-GHMZBOCLSA-N 1 0 241.338 1.873 10 0 BDAERO CO[C@@H](CN1CC[NH2+]CC1)c1ccc(C)cc1 ZINC000095908442 384404317 /nfs/dbraw/zinc/40/43/17/384404317.db2.gz STPAVPVRASRJIG-AWEZNQCLSA-N 1 0 234.343 1.588 10 0 BDAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1noc(C)n1 ZINC000175340056 384426557 /nfs/dbraw/zinc/42/65/57/384426557.db2.gz ZFONLMHIQSFZNF-LLVKDONJSA-N 1 0 238.335 1.294 10 0 BDAERO C[C@H]1[NH2+]CCC[C@@H]1NCc1cccc(O)c1 ZINC000335644700 384417627 /nfs/dbraw/zinc/41/76/27/384417627.db2.gz YBJTUMQHUUOVKP-MFKMUULPSA-N 1 0 220.316 1.622 10 0 BDAERO Cc1nc(C[NH2+]C[C@H]2CCC[C@H]2O)cs1 ZINC000084223530 384379971 /nfs/dbraw/zinc/37/99/71/384379971.db2.gz WPEALJWBISEZIT-MWLCHTKSSA-N 1 0 226.345 1.702 10 0 BDAERO CCOCCN1CC[N@@H+]([C@H](C)CC)C[C@H]1C ZINC000181124645 384449532 /nfs/dbraw/zinc/44/95/32/384449532.db2.gz SWOXMPTWNWODAF-CHWSQXEVSA-N 1 0 228.380 1.828 10 0 BDAERO Cc1cnccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000121646031 384433434 /nfs/dbraw/zinc/43/34/34/384433434.db2.gz LIGLRWGLSQRCDO-NSHDSACASA-N 1 0 248.330 1.558 10 0 BDAERO C[C@H]1OCC[C@@H]1Nc1ncnc(N)c1Cl ZINC000235602543 384468081 /nfs/dbraw/zinc/46/80/81/384468081.db2.gz VQSMGALLYFTIFT-RITPCOANSA-N 1 0 228.683 1.302 10 0 BDAERO CS[C@@H](C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000148950817 384471259 /nfs/dbraw/zinc/47/12/59/384471259.db2.gz CSFUUQAWLLTQNZ-JTQLQIEISA-N 1 0 242.388 1.435 10 0 BDAERO Cc1cnccc1CC[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000335664040 384478052 /nfs/dbraw/zinc/47/80/52/384478052.db2.gz SAJFGRAZRRIGSQ-GXTWGEPZSA-N 1 0 234.343 1.778 10 0 BDAERO Cn1cnnc1C[NH2+]C1(C2CCC2)CCC1 ZINC000556784584 384481253 /nfs/dbraw/zinc/48/12/53/384481253.db2.gz HWWULVWZSKZYRT-UHFFFAOYSA-N 1 0 220.320 1.628 10 0 BDAERO Cc1ccccc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000335676104 384484281 /nfs/dbraw/zinc/48/42/81/384484281.db2.gz BCAWUSVEJJKSDS-YPMHNXCESA-N 1 0 232.327 1.752 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)Cc1cccc(Br)c1 ZINC000096985928 384484456 /nfs/dbraw/zinc/48/44/56/384484456.db2.gz SEWGHWTYHOOGIV-GMSGAONNSA-N 1 0 244.132 1.700 10 0 BDAERO C[NH2+][C@@H]1CCCCCC[C@H]1S(C)(=O)=O ZINC000054930202 384511673 /nfs/dbraw/zinc/51/16/73/384511673.db2.gz LNWFNWKTAZRONK-NXEZZACHSA-N 1 0 219.350 1.342 10 0 BDAERO COc1cccnc1N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164006978 384506402 /nfs/dbraw/zinc/50/64/02/384506402.db2.gz MLPUMLQFUMUQPZ-QWRGUYRKSA-N 1 0 235.331 1.511 10 0 BDAERO CNc1cc([C@H](O)C[NH2+]C(C)(C)C)ccc1O ZINC000026015416 384511058 /nfs/dbraw/zinc/51/10/58/384511058.db2.gz JBXKKXNLGHSJEJ-GFCCVEGCSA-N 1 0 238.331 1.855 10 0 BDAERO CC[C@@H]1CC[C@H](C)N1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643793830 384513321 /nfs/dbraw/zinc/51/33/21/384513321.db2.gz AOGIMRQLRNVYRQ-SDDRHHMPSA-N 1 0 240.347 1.012 10 0 BDAERO Cc1ccnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000123017856 384527233 /nfs/dbraw/zinc/52/72/33/384527233.db2.gz GCGATOUAQNNYGU-NWDGAFQWSA-N 1 0 232.331 1.458 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000223428959 384555243 /nfs/dbraw/zinc/55/52/43/384555243.db2.gz TXVAXTVDNUHMOD-YUSALJHKSA-N 1 0 246.310 1.364 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400641310 384557243 /nfs/dbraw/zinc/55/72/43/384557243.db2.gz SFVOFKOKCHRNGL-QJPTWQEYSA-N 1 0 240.347 1.060 10 0 BDAERO CC(C)[C@H](C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000236632697 384541683 /nfs/dbraw/zinc/54/16/83/384541683.db2.gz DAGXJMMXFWAVGK-MWLCHTKSSA-N 1 0 212.337 1.522 10 0 BDAERO C[C@@H]1C[C@@H](O)C[N@H+](CCn2cc(Cl)cn2)C1 ZINC000334798226 384572263 /nfs/dbraw/zinc/57/22/63/384572263.db2.gz RIKPMICMROOXGK-MWLCHTKSSA-N 1 0 243.738 1.239 10 0 BDAERO Cc1ccc(NC(=O)NC[C@@H]2CC[NH2+]C2)s1 ZINC000258447340 384588159 /nfs/dbraw/zinc/58/81/59/384588159.db2.gz JYGZMAAYARHYDY-SECBINFHSA-N 1 0 239.344 1.788 10 0 BDAERO CCS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000098210133 384603525 /nfs/dbraw/zinc/60/35/25/384603525.db2.gz UPCPELJCHDYGCD-UHFFFAOYSA-N 1 0 205.304 1.000 10 0 BDAERO COCCN1CC[N@H+](CCSC)C[C@H]1C ZINC000171630470 384616735 /nfs/dbraw/zinc/61/67/35/384616735.db2.gz MDTOZZCKIIMIAG-LLVKDONJSA-N 1 0 232.393 1.002 10 0 BDAERO COC[C@H](C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000103432225 384626306 /nfs/dbraw/zinc/62/63/06/384626306.db2.gz VJEHYWBANDGUJW-RYUDHWBXSA-N 1 0 244.379 1.361 10 0 BDAERO COC[C@@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103433774 384631003 /nfs/dbraw/zinc/63/10/03/384631003.db2.gz BVCQQWYZOCWIJA-LLVKDONJSA-N 1 0 242.363 1.117 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cnc(C)s2)C1 ZINC000309769009 384595024 /nfs/dbraw/zinc/59/50/24/384595024.db2.gz OFSKPOHVNOVOIA-UWVGGRQHSA-N 1 0 242.344 1.033 10 0 BDAERO Cc1ccnc(S[C@H]2CCC[NH2+]C2)n1 ZINC000051332211 384665600 /nfs/dbraw/zinc/66/56/00/384665600.db2.gz KDGPVIVDTAGUNO-VIFPVBQESA-N 1 0 209.318 1.629 10 0 BDAERO CO[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000647538426 384667058 /nfs/dbraw/zinc/66/70/58/384667058.db2.gz RCPNLTSOEXQKGK-QWHCGFSZSA-N 1 0 226.364 1.487 10 0 BDAERO Cc1ccc([C@@H](C[NH3+])n2ccnc2)s1 ZINC000043243447 384672154 /nfs/dbraw/zinc/67/21/54/384672154.db2.gz JNPALXGWBJXQFR-SECBINFHSA-N 1 0 207.302 1.801 10 0 BDAERO CO[C@@H](C[N@@H+]1CCN2CCCC[C@H]2C1)C1CC1 ZINC000356432761 384642470 /nfs/dbraw/zinc/64/24/70/384642470.db2.gz XETINZWVOOCJGC-KBPBESRZSA-N 1 0 238.375 1.582 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H](c2ccccc2C)C1 ZINC000082162788 384647092 /nfs/dbraw/zinc/64/70/92/384647092.db2.gz YLDXDBBRSRCKQT-NEPJUHHUSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H](c2ccccc2F)C1 ZINC000082162814 384647571 /nfs/dbraw/zinc/64/75/71/384647571.db2.gz QEDPVCJMKKKJPN-NXEZZACHSA-N 1 0 237.274 1.692 10 0 BDAERO COC(=O)c1ccccc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112949 384655788 /nfs/dbraw/zinc/65/57/88/384655788.db2.gz MIIGQJWCTFLWBJ-SECBINFHSA-N 1 0 248.282 1.021 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)Cc2cccs2)C1 ZINC000082283219 384659291 /nfs/dbraw/zinc/65/92/91/384659291.db2.gz ZMYWVCFBAQBCRZ-JTQLQIEISA-N 1 0 238.356 1.453 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)C1CCCCCC1 ZINC000054072583 384725708 /nfs/dbraw/zinc/72/57/08/384725708.db2.gz HOIHIJBGFPDYNV-SNVBAGLBSA-N 1 0 212.337 1.776 10 0 BDAERO c1cncc(COC[C@H]2CCCC[NH2+]2)c1 ZINC000051816005 384686495 /nfs/dbraw/zinc/68/64/95/384686495.db2.gz CANVTZHUEPQXSD-GFCCVEGCSA-N 1 0 206.289 1.740 10 0 BDAERO CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)C(C)(C)C ZINC000336660170 384688384 /nfs/dbraw/zinc/68/83/84/384688384.db2.gz BTWWSIJNJVMMRF-GHMZBOCLSA-N 1 0 216.369 1.323 10 0 BDAERO Cc1ccc(C)c([C@@]2(CO)CC[NH2+]C2)c1 ZINC000258899994 384689061 /nfs/dbraw/zinc/68/90/61/384689061.db2.gz UVKVWZLMVZRPEM-ZDUSSCGKSA-N 1 0 205.301 1.527 10 0 BDAERO CCOc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ncn1 ZINC000185170840 384689087 /nfs/dbraw/zinc/68/90/87/384689087.db2.gz JFVIXOSOCUHJSQ-LLVKDONJSA-N 1 0 248.330 1.160 10 0 BDAERO Nc1c(Br)cccc1C[NH3+] ZINC000082638863 384698843 /nfs/dbraw/zinc/69/88/43/384698843.db2.gz OTTVLGHUDSOJSQ-UHFFFAOYSA-N 1 0 201.067 1.490 10 0 BDAERO C[C@H](CN1CC[NH2+]CC1)c1ccccn1 ZINC000082639946 384698983 /nfs/dbraw/zinc/69/89/83/384698983.db2.gz FFKHMSVWVVIEJW-LLVKDONJSA-N 1 0 205.305 1.090 10 0 BDAERO COC[C@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000104575558 384699143 /nfs/dbraw/zinc/69/91/43/384699143.db2.gz NLAVFKGOUYMEAZ-NSHDSACASA-N 1 0 242.363 1.260 10 0 BDAERO COC[C@@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000104575561 384699233 /nfs/dbraw/zinc/69/92/33/384699233.db2.gz NLAVFKGOUYMEAZ-LLVKDONJSA-N 1 0 242.363 1.260 10 0 BDAERO Cc1ccc2c(c1)[C@H](NC(=O)C[NH+](C)C)[C@@H](C)C2 ZINC000162858013 384700355 /nfs/dbraw/zinc/70/03/55/384700355.db2.gz TZIBDVOEHHXIGL-XHDPSFHLSA-N 1 0 246.354 1.906 10 0 BDAERO c1nn(Cc2ccccc2)cc1N1CC[NH2+]CC1 ZINC000082713040 384704039 /nfs/dbraw/zinc/70/40/39/384704039.db2.gz PAJNMLFSNZAQAG-UHFFFAOYSA-N 1 0 242.326 1.341 10 0 BDAERO CC(C)c1noc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000107211588 384704426 /nfs/dbraw/zinc/70/44/26/384704426.db2.gz DERLCHGHSAACHC-QMMMGPOBSA-N 1 0 210.281 1.357 10 0 BDAERO c1ccc2nc(O[C@H]3CC[NH2+]C3)cnc2c1 ZINC000052018277 384710670 /nfs/dbraw/zinc/71/06/70/384710670.db2.gz KCNRIVPBPIRPBV-VIFPVBQESA-N 1 0 215.256 1.371 10 0 BDAERO Cn1c(Cl)cnc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000052013570 384710995 /nfs/dbraw/zinc/71/09/95/384710995.db2.gz BNTYMKVSJBSINW-DTWKUNHWSA-N 1 0 243.738 1.467 10 0 BDAERO C[C@@H]1C[C@H]1[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000052272718 384728830 /nfs/dbraw/zinc/72/88/30/384728830.db2.gz HZDXESCZTXDYKM-ZWNOBZJWSA-N 1 0 228.299 1.765 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)c1cc(C)cc(C)c1 ZINC000054076859 384730169 /nfs/dbraw/zinc/73/01/69/384730169.db2.gz DCJDYJRPGQFFEC-LLVKDONJSA-N 1 0 220.316 1.874 10 0 BDAERO C[C@H]1C[C@H](O)C[N@H+](CCc2ccncc2)C1 ZINC000334826624 384742196 /nfs/dbraw/zinc/74/21/96/384742196.db2.gz NPHPFWSCVKJRTM-AAEUAGOBSA-N 1 0 220.316 1.327 10 0 BDAERO [NH3+]CCSCc1ccnc(Cl)c1 ZINC000052709099 384743419 /nfs/dbraw/zinc/74/34/19/384743419.db2.gz JPGXERNMCOEMQJ-UHFFFAOYSA-N 1 0 202.710 1.927 10 0 BDAERO CC(C)c1nccc(N(C)CCC[NH3+])n1 ZINC000107207200 384780426 /nfs/dbraw/zinc/78/04/26/384780426.db2.gz CJIWRXSXQADMFK-UHFFFAOYSA-N 1 0 208.309 1.385 10 0 BDAERO N[C@H](C[NH3+])c1cccc(Br)c1F ZINC000072201281 384815349 /nfs/dbraw/zinc/81/53/49/384815349.db2.gz RGFXAZBJMPYPQH-SSDOTTSWSA-N 1 0 233.084 1.547 10 0 BDAERO N[C@@H](C[NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000072201038 384815579 /nfs/dbraw/zinc/81/55/79/384815579.db2.gz NQUIWOCACFTELF-QMMMGPOBSA-N 1 0 222.185 1.803 10 0 BDAERO N[C@H](C[NH3+])c1cc(F)cc(C(F)(F)F)c1 ZINC000072201033 384816422 /nfs/dbraw/zinc/81/64/22/384816422.db2.gz FWFMYGKUYQPYCO-MRVPVSSYSA-N 1 0 222.185 1.803 10 0 BDAERO COC(=O)c1coc(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000126916962 384827944 /nfs/dbraw/zinc/82/79/44/384827944.db2.gz QJQGUDGFUIQCHU-OIBJUYFYSA-N 1 0 209.245 1.564 10 0 BDAERO FCCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000308529887 384783250 /nfs/dbraw/zinc/78/32/50/384783250.db2.gz QHSKNHVGKFJCKD-LLVKDONJSA-N 1 0 200.301 1.516 10 0 BDAERO C[C@@H]([NH3+])CC1CCN(c2ncccn2)CC1 ZINC000146577478 384800125 /nfs/dbraw/zinc/80/01/25/384800125.db2.gz GMBLAJJTTHUKDD-SNVBAGLBSA-N 1 0 220.320 1.430 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccncc1 ZINC000335644667 384803479 /nfs/dbraw/zinc/80/34/79/384803479.db2.gz WUJCIZDTKAMEHS-CMPLNLGQSA-N 1 0 205.305 1.312 10 0 BDAERO CCOCC[N@@H+]1CCN(CCOC)C[C@H]1CC ZINC000105838034 384806745 /nfs/dbraw/zinc/80/67/45/384806745.db2.gz GSZCBEHYWOEUMZ-CYBMUJFWSA-N 1 0 244.379 1.066 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)CC(F)F ZINC000648193658 384807846 /nfs/dbraw/zinc/80/78/46/384807846.db2.gz HLJAYZKLALLPCK-JGVFFNPUSA-N 1 0 222.279 1.521 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)CC(F)F ZINC000648193970 384812328 /nfs/dbraw/zinc/81/23/28/384812328.db2.gz OXLOJSDZLOGJGD-IVZWLZJFSA-N 1 0 248.317 1.782 10 0 BDAERO [NH3+][C@H](CO)c1c(F)cccc1Br ZINC000072198738 384814966 /nfs/dbraw/zinc/81/49/66/384814966.db2.gz ZHKRICXGDQWTMX-SSDOTTSWSA-N 1 0 234.068 1.580 10 0 BDAERO CC[C@H](CSC)NC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000163413469 384881586 /nfs/dbraw/zinc/88/15/86/384881586.db2.gz ITMOFFJPZDZQHG-AEJSXWLSSA-N 1 0 232.393 1.618 10 0 BDAERO Clc1cncnc1NC1CC[NH2+]CC1 ZINC000163670855 384840713 /nfs/dbraw/zinc/84/07/13/384840713.db2.gz NFAWRQGKKWWWCX-UHFFFAOYSA-N 1 0 212.684 1.294 10 0 BDAERO Cc1ccoc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000127144139 384847639 /nfs/dbraw/zinc/84/76/39/384847639.db2.gz DMXWBSURIPQLTF-GHMZBOCLSA-N 1 0 209.289 1.839 10 0 BDAERO Cc1ccoc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247146716 384857133 /nfs/dbraw/zinc/85/71/33/384857133.db2.gz JYXBZEBOSNBQKD-VXGBXAGGSA-N 1 0 248.326 1.897 10 0 BDAERO CCCC(=O)N[C@H]1CCC[N@H+](CCOCC)C1 ZINC000101733681 384858895 /nfs/dbraw/zinc/85/88/95/384858895.db2.gz IAKAFWMMDLRKLU-LBPRGKRZSA-N 1 0 242.363 1.404 10 0 BDAERO Cc1ccc(C)c(C[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000105472673 384867821 /nfs/dbraw/zinc/86/78/21/384867821.db2.gz HAQNQNWRDLZIGT-HNNXBMFYSA-N 1 0 248.370 1.724 10 0 BDAERO Cn1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)n1 ZINC000164260301 384949879 /nfs/dbraw/zinc/94/98/79/384949879.db2.gz PJHQPBRPWHWNSS-JQWIXIFHSA-N 1 0 223.320 1.061 10 0 BDAERO Cl/C=C/C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105919637 384891916 /nfs/dbraw/zinc/89/19/16/384891916.db2.gz RNTMAJXEHIVWAE-JRBALWBOSA-N 1 0 240.738 1.743 10 0 BDAERO Cc1cnn(C[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000105921326 384892918 /nfs/dbraw/zinc/89/29/18/384892918.db2.gz UJNHSBANMLCSFZ-LBPRGKRZSA-N 1 0 223.320 1.301 10 0 BDAERO Cc1cnn([C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000105923418 384893153 /nfs/dbraw/zinc/89/31/53/384893153.db2.gz LGXLJPRBMHBHDM-GFCCVEGCSA-N 1 0 223.320 1.211 10 0 BDAERO COC[C@H](C)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086930959 384894216 /nfs/dbraw/zinc/89/42/16/384894216.db2.gz XTGWLWQJAHMTIY-JHJVBQTASA-N 1 0 226.364 1.437 10 0 BDAERO C(N1CCO[C@@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992584 384896039 /nfs/dbraw/zinc/89/60/39/384896039.db2.gz USLSCUCRKJVHNE-YIFLHPOLSA-N 1 0 236.359 1.382 10 0 BDAERO C[NH2+][C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000049752979 384899305 /nfs/dbraw/zinc/89/93/05/384899305.db2.gz RYFDPXDSTAZMCA-SNVBAGLBSA-N 1 0 218.300 1.179 10 0 BDAERO CC(C)(C)CC[NH2+][C@H]1CCc2ncnn2C1 ZINC000112697876 384904850 /nfs/dbraw/zinc/90/48/50/384904850.db2.gz XWCIYRQSHYZVCT-JTQLQIEISA-N 1 0 222.336 1.619 10 0 BDAERO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCN(C)C)C12CCC2 ZINC000365122941 384905286 /nfs/dbraw/zinc/90/52/86/384905286.db2.gz FLCYVJVGAYLYAV-GRYCIOLGSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H]1C[N@@H+]([C@H]2CCCC[C@H]2O)CCCO1 ZINC000245395127 384907208 /nfs/dbraw/zinc/90/72/08/384907208.db2.gz HBQKNRWLWFJBBC-GRYCIOLGSA-N 1 0 213.321 1.401 10 0 BDAERO COC[C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177218382 384915542 /nfs/dbraw/zinc/91/55/42/384915542.db2.gz QDPXKKSYFOZKTJ-GARJFASQSA-N 1 0 240.347 1.010 10 0 BDAERO CC(C)(C)CCC[N@@H+]1CCO[C@@H](CO)C1 ZINC000300789519 384923553 /nfs/dbraw/zinc/92/35/53/384923553.db2.gz ZSJJQYREHRBTGO-LLVKDONJSA-N 1 0 215.337 1.506 10 0 BDAERO FCCCC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000367132770 384930974 /nfs/dbraw/zinc/93/09/74/384930974.db2.gz GGFQZZNZCRIAFU-LBPRGKRZSA-N 1 0 214.328 1.906 10 0 BDAERO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(Cl)o1 ZINC000644519585 384933264 /nfs/dbraw/zinc/93/32/64/384933264.db2.gz QFIFFPCNZMVWQO-SECBINFHSA-N 1 0 247.722 1.809 10 0 BDAERO CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000085790289 384968150 /nfs/dbraw/zinc/96/81/50/384968150.db2.gz RHHMXWYRZLDZNM-IJLUTSLNSA-N 1 0 214.353 1.341 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000187740824 384980381 /nfs/dbraw/zinc/98/03/81/384980381.db2.gz XZPIOHXWYXDETR-BTDICHCPSA-N 1 0 233.315 1.190 10 0 BDAERO CC[N@H+](CCNC(=O)[C@@H]1CC[C@H](C)O1)C1CC1 ZINC000152171473 384980591 /nfs/dbraw/zinc/98/05/91/384980591.db2.gz JHYXEAWAHCUMAU-JQWIXIFHSA-N 1 0 240.347 1.154 10 0 BDAERO Cc1ccc([C@H]2CCCN2C(=O)[C@@H](C)[NH3+])o1 ZINC000262712771 384989731 /nfs/dbraw/zinc/98/97/31/384989731.db2.gz RWOKDVLHTPIMET-NXEZZACHSA-N 1 0 222.288 1.599 10 0 BDAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000404427518 384990422 /nfs/dbraw/zinc/99/04/22/384990422.db2.gz IZOKTJUESPDGNI-BDAKNGLRSA-N 1 0 212.318 1.536 10 0 BDAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC000404460950 385008653 /nfs/dbraw/zinc/00/86/53/385008653.db2.gz TUVAFPQCHRMLIX-GXSJLCMTSA-N 1 0 226.345 1.784 10 0 BDAERO Cn1nccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000305734866 385020560 /nfs/dbraw/zinc/02/05/60/385020560.db2.gz PCRXUORBVVUEDD-OCCSQVGLSA-N 1 0 249.358 1.547 10 0 BDAERO CC[C@H]([NH2+]CC1(CO)COC1)C(C)(C)C ZINC000309095204 385021015 /nfs/dbraw/zinc/02/10/15/385021015.db2.gz DQXQXPHEZKMZGM-JTQLQIEISA-N 1 0 215.337 1.410 10 0 BDAERO C[n+]1ccc(-c2nc3cc(N)ccc3o2)cc1 ZINC000226777807 385052675 /nfs/dbraw/zinc/05/26/75/385052675.db2.gz XKCUMKBCNIMYKT-UHFFFAOYSA-N 1 0 226.259 1.902 10 0 BDAERO OC1CC(C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000086903545 385061250 /nfs/dbraw/zinc/06/12/50/385061250.db2.gz DKLWCTJFLXDUJY-MOENNCHZSA-N 1 0 225.332 1.449 10 0 BDAERO C[C@@H]([NH3+])c1ccc(N2C(=S)N=NC2C)cc1 ZINC000058824578 385025761 /nfs/dbraw/zinc/02/57/61/385025761.db2.gz IGMDRBNOKRDZLX-SSDOTTSWSA-N 1 0 234.328 1.884 10 0 BDAERO Cc1c(C[NH2+][C@H]2CCCC[C@H]2O)cnn1C ZINC000086552060 385026523 /nfs/dbraw/zinc/02/65/23/385026523.db2.gz XMCMLEZZDQJDSI-NWDGAFQWSA-N 1 0 223.320 1.122 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+]CC(C)(C)O)[C@H](C)O1 ZINC000642718353 385031725 /nfs/dbraw/zinc/03/17/25/385031725.db2.gz FIFLESWIVHCAHL-UTLUCORTSA-N 1 0 201.310 1.160 10 0 BDAERO [NH3+]Cc1cnnn1-c1ccc(Cl)cc1 ZINC000062265232 385111467 /nfs/dbraw/zinc/11/14/67/385111467.db2.gz ZCLSADOANYSRNK-UHFFFAOYSA-N 1 0 208.652 1.379 10 0 BDAERO COC[C@@H]([NH3+])c1cnc2c(C)cccn12 ZINC000031911780 385111822 /nfs/dbraw/zinc/11/18/22/385111822.db2.gz GXNXMZSKINMEMR-SECBINFHSA-N 1 0 205.261 1.289 10 0 BDAERO COc1c(C[NH2+][C@@H]2CC23CC3)c(C)nn1C ZINC000424183227 385113285 /nfs/dbraw/zinc/11/32/85/385113285.db2.gz IWJAHIHBGHAFDL-SNVBAGLBSA-N 1 0 221.304 1.379 10 0 BDAERO c1ccc2c(c1)[nH]c1c2C[C@@H]2C[NH2+]CCN2C1 ZINC000022588815 385119693 /nfs/dbraw/zinc/11/96/93/385119693.db2.gz FLWHGQJRIYDGPK-SNVBAGLBSA-N 1 0 227.311 1.498 10 0 BDAERO CC[C@](C)(O)C[NH+]1CCN(C(C)C)CC1 ZINC000119404360 385095416 /nfs/dbraw/zinc/09/54/16/385095416.db2.gz ZGYSFCDSVZBZMY-LBPRGKRZSA-N 1 0 214.353 1.173 10 0 BDAERO CN(CC[NH3+])c1nc2c(cccc2F)o1 ZINC000107207786 385189730 /nfs/dbraw/zinc/18/97/30/385189730.db2.gz RVRCZKFXSHOQMP-UHFFFAOYSA-N 1 0 209.224 1.362 10 0 BDAERO CC1(C)[C@H]([NH2+]CC2(CCO)CC2)[C@@H]2CCO[C@@H]21 ZINC000157501359 385200951 /nfs/dbraw/zinc/20/09/51/385200951.db2.gz SRPQXPVUBQRAHC-TUAOUCFPSA-N 1 0 239.359 1.552 10 0 BDAERO CC(C)[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000305792819 385226177 /nfs/dbraw/zinc/22/61/77/385226177.db2.gz UMDXTLAUXVNUAY-KZVDOYCCSA-N 1 0 241.375 1.797 10 0 BDAERO CC(C)[C@](C)(O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000305792817 385227919 /nfs/dbraw/zinc/22/79/19/385227919.db2.gz UMDXTLAUXVNUAY-HKUMRIAESA-N 1 0 241.375 1.797 10 0 BDAERO [NH3+][C@H]1CCCN([C@@H]2CCCCCC2=O)C1 ZINC000062749586 385228847 /nfs/dbraw/zinc/22/88/47/385228847.db2.gz QRMRGCBVQQZYCM-WDEREUQCSA-N 1 0 210.321 1.311 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000305804516 385230555 /nfs/dbraw/zinc/23/05/55/385230555.db2.gz YQDKGZNUOYOMLC-QCNOEVLYSA-N 1 0 241.375 1.797 10 0 BDAERO Cc1cc(C(F)(F)F)nc(NCCC[NH3+])n1 ZINC000002538533 385240951 /nfs/dbraw/zinc/24/09/51/385240951.db2.gz XEOLEIBJRONCBI-UHFFFAOYSA-N 1 0 234.225 1.565 10 0 BDAERO Cc1cnc(CC[N@@H+]2CC[C@@H](CCO)C2)c(C)c1 ZINC000401108309 385248853 /nfs/dbraw/zinc/24/88/53/385248853.db2.gz GROXTYFGWZMYAE-AWEZNQCLSA-N 1 0 248.370 1.945 10 0 BDAERO CN(C)c1cccnc1C[NH2+][C@@H]1CCOC1 ZINC000289727491 385305136 /nfs/dbraw/zinc/30/51/36/385305136.db2.gz GNXJSQJQWMUDFC-SNVBAGLBSA-N 1 0 221.304 1.026 10 0 BDAERO CSc1ccc(-n2cc(C[NH3+])nn2)cc1 ZINC000050224096 385311479 /nfs/dbraw/zinc/31/14/79/385311479.db2.gz GAPMJAZQYGKNKO-UHFFFAOYSA-N 1 0 220.301 1.448 10 0 BDAERO Cc1ccc(F)c(-n2cc(C[NH3+])nn2)c1 ZINC000050224134 385312590 /nfs/dbraw/zinc/31/25/90/385312590.db2.gz WVOZWDXZMCXGIZ-UHFFFAOYSA-N 1 0 206.224 1.174 10 0 BDAERO [NH3+]Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000050224503 385312997 /nfs/dbraw/zinc/31/29/97/385312997.db2.gz WJGYTAMKAFJWFO-UHFFFAOYSA-N 1 0 222.679 1.439 10 0 BDAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COC ZINC000308910560 385283702 /nfs/dbraw/zinc/28/37/02/385283702.db2.gz DPIDDMVFMCNRMX-WOPDTQHZSA-N 1 0 215.337 1.552 10 0 BDAERO CS[C@H]1CCCCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000157801527 385285307 /nfs/dbraw/zinc/28/53/07/385285307.db2.gz IAISUKYNYFNHKT-BDAKNGLRSA-N 1 0 216.350 1.078 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000308927806 385289653 /nfs/dbraw/zinc/28/96/53/385289653.db2.gz QKQZMWGGWDMNJM-GRYCIOLGSA-N 1 0 207.321 1.826 10 0 BDAERO Cc1nnc(N[C@@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000307669987 385330235 /nfs/dbraw/zinc/33/02/35/385330235.db2.gz TYOYVFZOLDHQCU-POYBYMJQSA-N 1 0 212.322 1.399 10 0 BDAERO CCn1cccc1-c1noc(C2C[NH2+]C2)n1 ZINC000409424418 385332048 /nfs/dbraw/zinc/33/20/48/385332048.db2.gz ZTZMMNVLGONCQV-UHFFFAOYSA-N 1 0 218.260 1.245 10 0 BDAERO CC(C)(C)c1cc(-c2noc(CC[NH3+])n2)no1 ZINC000409424703 385333797 /nfs/dbraw/zinc/33/37/97/385333797.db2.gz XPWYVNCVRRPKJI-UHFFFAOYSA-N 1 0 236.275 1.523 10 0 BDAERO C[C@H](C[NH3+])CNc1nnc(C(F)(F)F)s1 ZINC000168119065 385350894 /nfs/dbraw/zinc/35/08/94/385350894.db2.gz DFSCNFDOPTUQCI-SCSAIBSYSA-N 1 0 240.254 1.564 10 0 BDAERO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000131967529 385369523 /nfs/dbraw/zinc/36/95/23/385369523.db2.gz MYVOYUKKRDMWCW-ZDUSSCGKSA-N 1 0 245.330 1.789 10 0 BDAERO CCC[C@H](C(=O)N[C@@H](C)C1CC1)[NH+](C)C ZINC000179267417 385372308 /nfs/dbraw/zinc/37/23/08/385372308.db2.gz RSQXETBNFQMQPF-GXSJLCMTSA-N 1 0 212.337 1.631 10 0 BDAERO COC(=O)[C@@H](N)[C@@H](C)Oc1cccc(F)c1 ZINC000169726773 385418726 /nfs/dbraw/zinc/41/87/26/385418726.db2.gz HSSWJODBLPYXDM-XCBNKYQSSA-N 1 0 227.235 1.093 10 0 BDAERO COC(=O)[C@@H](N)COc1ccc(Cl)cc1 ZINC000169726698 385419209 /nfs/dbraw/zinc/41/92/09/385419209.db2.gz UEUOCMPYNOPRAU-VIFPVBQESA-N 1 0 229.663 1.219 10 0 BDAERO COC(=O)[C@@H](N)[C@H](C)Sc1ccccn1 ZINC000169726768 385419216 /nfs/dbraw/zinc/41/92/16/385419216.db2.gz OKSQTGRVKYZMNK-CBAPKCEASA-N 1 0 226.301 1.063 10 0 BDAERO CC(=O)c1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000178881181 385422488 /nfs/dbraw/zinc/42/24/88/385422488.db2.gz WNJIBICJHJEREW-LBPRGKRZSA-N 1 0 233.315 1.425 10 0 BDAERO Cn1ccc(C[NH2+]C[C@H]2CCc3nccn3C2)c1 ZINC000275433726 385442766 /nfs/dbraw/zinc/44/27/66/385442766.db2.gz FKPGRDAADWWQMC-GFCCVEGCSA-N 1 0 244.342 1.574 10 0 BDAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC000170857579 385450926 /nfs/dbraw/zinc/45/09/26/385450926.db2.gz XANKLYCFLKRWHI-JTQLQIEISA-N 1 0 208.261 1.056 10 0 BDAERO Cc1noc(C)c1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170858797 385450956 /nfs/dbraw/zinc/45/09/56/385450956.db2.gz GNGIGLUWXJIJPL-SNVBAGLBSA-N 1 0 237.303 1.068 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccsc2)C1 ZINC000170859963 385451641 /nfs/dbraw/zinc/45/16/41/385451641.db2.gz POQSZNSGKHVNNH-SNVBAGLBSA-N 1 0 224.329 1.524 10 0 BDAERO C[NH+](C)[C@@H]1CCN(C(=O)CCc2ccncc2)C1 ZINC000170859980 385451947 /nfs/dbraw/zinc/45/19/47/385451947.db2.gz HYQLTCHCMYHJES-CYBMUJFWSA-N 1 0 247.342 1.177 10 0 BDAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)CCO1 ZINC000378666615 385458214 /nfs/dbraw/zinc/45/82/14/385458214.db2.gz GUCKQXLWCMNVCF-YVECIDJPSA-N 1 0 227.348 1.695 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)c2cn(C)nc2C)c1 ZINC000179292757 385457067 /nfs/dbraw/zinc/45/70/67/385457067.db2.gz QQALPAWXCLNCRL-NSHDSACASA-N 1 0 247.346 1.584 10 0 BDAERO CCOCCN1CC[N@H+](C[C@@H](C)OC)C[C@@H]1C ZINC000182137881 385432548 /nfs/dbraw/zinc/43/25/48/385432548.db2.gz OXVGYUCPCOLSAL-QWHCGFSZSA-N 1 0 244.379 1.064 10 0 BDAERO Fc1cccc(-c2cc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000062669963 385500104 /nfs/dbraw/zinc/50/01/04/385500104.db2.gz FBERLRGUEXZOLW-UHFFFAOYSA-N 1 0 246.289 1.625 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2cocn2)C[C@@H](C)O1 ZINC000282085422 385500505 /nfs/dbraw/zinc/50/05/05/385500505.db2.gz CEWXKHUXMLANBD-NXEZZACHSA-N 1 0 224.304 1.968 10 0 BDAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1nccs1 ZINC000180591636 385531222 /nfs/dbraw/zinc/53/12/22/385531222.db2.gz PPOKYBRVRLHSEZ-IUCAKERBSA-N 1 0 249.343 1.400 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccco1 ZINC000180601692 385533160 /nfs/dbraw/zinc/53/31/60/385533160.db2.gz FUUDFTQFUFFTMF-ZJUUUORDSA-N 1 0 232.287 1.537 10 0 BDAERO C([NH2+]C1COC1)[C@H]1COC2(CCCCC2)O1 ZINC000309341513 385540476 /nfs/dbraw/zinc/54/04/76/385540476.db2.gz KKISLDQOQVAYGD-NSHDSACASA-N 1 0 227.304 1.051 10 0 BDAERO [NH3+]C1([C@H](O)c2ccc(Br)cc2)CC1 ZINC000258179717 385546707 /nfs/dbraw/zinc/54/67/07/385546707.db2.gz HCHCHQBECPEYDG-SECBINFHSA-N 1 0 242.116 1.974 10 0 BDAERO OC[C@]1(c2cccc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000258005360 385521246 /nfs/dbraw/zinc/52/12/46/385521246.db2.gz QAHPBHPLUAZUHZ-NSHDSACASA-N 1 0 245.244 1.929 10 0 BDAERO CC(C)(C)OC(=O)NCC[C@H]1COCCC[NH2+]1 ZINC000257991284 385522009 /nfs/dbraw/zinc/52/20/09/385522009.db2.gz KSXLIXIQUMRPBU-JTQLQIEISA-N 1 0 244.335 1.280 10 0 BDAERO CC1([NH3+])CCN(c2ccc(F)cn2)CC1 ZINC000643029396 385524233 /nfs/dbraw/zinc/52/42/33/385524233.db2.gz STCVOUJUULLBDB-UHFFFAOYSA-N 1 0 209.268 1.538 10 0 BDAERO Cc1cnc(C)c(N2CCC(C)([NH3+])CC2)n1 ZINC000643029487 385524494 /nfs/dbraw/zinc/52/44/94/385524494.db2.gz YGBKKSQKJUYTGE-UHFFFAOYSA-N 1 0 220.320 1.411 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+][C@H](CO)C1CCCC1 ZINC000309399976 385562744 /nfs/dbraw/zinc/56/27/44/385562744.db2.gz WAPRJQZGPSKFAW-VXGBXAGGSA-N 1 0 229.364 1.534 10 0 BDAERO c1ccc2nnc([C@@H]3C[NH2+]CCO3)cc2c1 ZINC000259533307 385569035 /nfs/dbraw/zinc/56/90/35/385569035.db2.gz QMFVTTIGAKRXEI-LBPRGKRZSA-N 1 0 215.256 1.291 10 0 BDAERO C[NH2+][C@H](C)C(=O)N(C)c1cccc(C)c1 ZINC000054076867 385594891 /nfs/dbraw/zinc/59/48/91/385594891.db2.gz KTWLGDPRWQZDML-SNVBAGLBSA-N 1 0 206.289 1.566 10 0 BDAERO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCN2CCC2)C1(C)C ZINC000309471949 385601355 /nfs/dbraw/zinc/60/13/55/385601355.db2.gz QVSDVJPBQUAZOX-SDDRHHMPSA-N 1 0 226.364 1.341 10 0 BDAERO CCCC(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000309476968 385602355 /nfs/dbraw/zinc/60/23/55/385602355.db2.gz SCRMHRJGJFUOMW-CMPLNLGQSA-N 1 0 210.321 1.516 10 0 BDAERO CC[C@@H]([NH3+])CN1CCc2sccc2C1 ZINC000036871948 385588427 /nfs/dbraw/zinc/58/84/27/385588427.db2.gz RDDMNEMQUSSFMB-SNVBAGLBSA-N 1 0 210.346 1.844 10 0 BDAERO [NH3+]CCc1nc2c(cccc2Br)[nH]1 ZINC000204980184 385644836 /nfs/dbraw/zinc/64/48/36/385644836.db2.gz UOTQOYUBCRMCPK-UHFFFAOYSA-N 1 0 240.104 1.827 10 0 BDAERO C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCSC1 ZINC000307028385 385649746 /nfs/dbraw/zinc/64/97/46/385649746.db2.gz BPFRSWJQHDPSAG-UWVGGRQHSA-N 1 0 200.351 1.081 10 0 BDAERO C[C@@]1(C[NH3+])CCN(c2ccc3nccnc3n2)C1 ZINC000235417426 259673410 /nfs/dbraw/zinc/67/34/10/259673410.db2.gz TVTXYIONWSQUTN-ZDUSSCGKSA-N 1 0 243.314 1.200 10 0 BDAERO CC(C)([NH3+])C[C@H](N)C(=O)OCc1ccccc1 ZINC000211286761 385677446 /nfs/dbraw/zinc/67/74/46/385677446.db2.gz FBBTXKIBAJHVMA-NSHDSACASA-N 1 0 236.315 1.185 10 0 BDAERO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1cncnc1 ZINC000211350221 385680658 /nfs/dbraw/zinc/68/06/58/385680658.db2.gz IFWSZKFWRSKRLF-SECBINFHSA-N 1 0 238.291 1.001 10 0 BDAERO Fc1ccc(C[NH2+]C[C@@H]2CCCOC2)nc1 ZINC000309551787 385684614 /nfs/dbraw/zinc/68/46/14/385684614.db2.gz GDONHJHHIDPYKF-JTQLQIEISA-N 1 0 224.279 1.737 10 0 BDAERO O=c1[n-]c([C@H]2CCCC[N@H+]2CCCF)n[nH]1 ZINC000408456457 385698709 /nfs/dbraw/zinc/69/87/09/385698709.db2.gz IQMSTZHALBAGIJ-MRVPVSSYSA-N 1 0 228.271 1.397 10 0 BDAERO O=C1CC[C@@H]([NH2+]CCCCF)[C@@H](C2CC2)N1 ZINC000309571996 385701163 /nfs/dbraw/zinc/70/11/63/385701163.db2.gz NEHVIHTXKRCJNM-ZYHUDNBSSA-N 1 0 228.311 1.383 10 0 BDAERO C[C@@H](CCC[NH3+])N=c1[nH]c2ccccc2[nH]1 ZINC000336683780 385669095 /nfs/dbraw/zinc/66/90/95/385669095.db2.gz ZKNVIDVRFZSABI-VIFPVBQESA-N 1 0 218.304 1.524 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2ccc(CO)o2)c1 ZINC000230657217 385746699 /nfs/dbraw/zinc/74/66/99/385746699.db2.gz PSOANCWOTZMQAU-UHFFFAOYSA-N 1 0 235.287 1.067 10 0 BDAERO C[C@H](Cc1ccsc1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062116469 385761671 /nfs/dbraw/zinc/76/16/71/385761671.db2.gz UQIVKPZLRMWZGK-KOLCDFICSA-N 1 0 238.356 1.405 10 0 BDAERO CCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186518078 385765465 /nfs/dbraw/zinc/76/54/65/385765465.db2.gz NHMJFDBUJVCZDT-JTQLQIEISA-N 1 0 210.321 1.530 10 0 BDAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCn1cccn1)CC2 ZINC000160826728 385721455 /nfs/dbraw/zinc/72/14/55/385721455.db2.gz XUCDMEHOMATFLK-ZIAGYGMSSA-N 1 0 249.358 1.510 10 0 BDAERO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000215984164 385855410 /nfs/dbraw/zinc/85/54/10/385855410.db2.gz LLIYMOXBVQPEIR-CHWSQXEVSA-N 1 0 233.311 1.861 10 0 BDAERO COC(=O)[C@H]1C[NH2+]CC[C@H]1c1ccc(C)cc1 ZINC000215988998 385855857 /nfs/dbraw/zinc/85/58/57/385855857.db2.gz ROFCTNBPHUFVEO-STQMWFEESA-N 1 0 233.311 1.861 10 0 BDAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000123532141 385887154 /nfs/dbraw/zinc/88/71/54/385887154.db2.gz IHRRZDZWAXUNJG-OLZOCXBDSA-N 1 0 237.347 1.718 10 0 BDAERO C[C@H]1CC[C@H](N2CC[NH2+]CC2)CS1 ZINC000575535455 385905157 /nfs/dbraw/zinc/90/51/57/385905157.db2.gz MELUPWBQTDCZAB-UWVGGRQHSA-N 1 0 200.351 1.176 10 0 BDAERO CC[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000647920466 385883339 /nfs/dbraw/zinc/88/33/39/385883339.db2.gz UIKSTKGECXDJFM-XQQFMLRXSA-N 1 0 232.327 1.991 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@H](O)C(F)(F)F ZINC000336747737 385981113 /nfs/dbraw/zinc/98/11/13/385981113.db2.gz XMXWOALRUDXTAP-XAVMHZPKSA-N 1 0 241.253 1.455 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H](C)CC2CC2)c1 ZINC000124023051 385988828 /nfs/dbraw/zinc/98/88/28/385988828.db2.gz TWHUDYOTILNIDK-NSHDSACASA-N 1 0 207.321 1.970 10 0 BDAERO C[C@H]1CC(C[NH2+]C2CCOCC2)C[C@H](C)O1 ZINC000334522562 385939527 /nfs/dbraw/zinc/93/95/27/385939527.db2.gz QNDZGYZKHZIUAD-QWRGUYRKSA-N 1 0 227.348 1.959 10 0 BDAERO COc1cccnc1N1CC[C@H]([NH3+])[C@H]1C ZINC000309034427 385941102 /nfs/dbraw/zinc/94/11/02/385941102.db2.gz DYYINMXSXHFJEI-BDAKNGLRSA-N 1 0 207.277 1.016 10 0 BDAERO CCOC[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000124000573 385973859 /nfs/dbraw/zinc/97/38/59/385973859.db2.gz YMKYBIUHRSZLLT-NSHDSACASA-N 1 0 211.309 1.206 10 0 BDAERO Cc1oncc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000189440876 386000710 /nfs/dbraw/zinc/00/07/10/386000710.db2.gz SCKVHKHYQIEUQH-LDYMZIIASA-N 1 0 210.277 1.640 10 0 BDAERO Cc1cnccc1-c1cnn(CCC[NH3+])c1 ZINC000309406038 386007251 /nfs/dbraw/zinc/00/72/51/386007251.db2.gz IABOVRVCKLJRMT-UHFFFAOYSA-N 1 0 216.288 1.602 10 0 BDAERO Cc1cccnc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638893638 386008617 /nfs/dbraw/zinc/00/86/17/386008617.db2.gz LZZACHMKUWBCIT-WDEREUQCSA-N 1 0 233.315 1.057 10 0 BDAERO C[C@H]1CN(C(=O)CC2CCC2)C[C@@H]1C[NH3+] ZINC000638892781 386010327 /nfs/dbraw/zinc/01/03/27/386010327.db2.gz XNPZVIGVYPWMLS-ONGXEEELSA-N 1 0 210.321 1.230 10 0 BDAERO CC[C@]1(C(=O)N[C@H](C)CC2CC2)CCC[NH2+]1 ZINC000129035955 386048282 /nfs/dbraw/zinc/04/82/82/386048282.db2.gz BDDJXYWCRFOALZ-ZWNOBZJWSA-N 1 0 224.348 1.823 10 0 BDAERO Clc1cccnc1OC[C@H]1CCC[NH2+]1 ZINC000051865953 386118529 /nfs/dbraw/zinc/11/85/29/386118529.db2.gz BDCPIVOPYXWGRB-MRVPVSSYSA-N 1 0 212.680 1.866 10 0 BDAERO OC1(C[N@@H+]2CCN3CCCC[C@H]3C2)CCC1 ZINC000334443127 386063431 /nfs/dbraw/zinc/06/34/31/386063431.db2.gz AUQJHHABANCIOK-LBPRGKRZSA-N 1 0 224.348 1.072 10 0 BDAERO C[C@@H]1SCC[C@]1([NH3+])Cc1cnsn1 ZINC000575567444 386090684 /nfs/dbraw/zinc/09/06/84/386090684.db2.gz JPZPCHJMFAAKSS-XPUUQOCRSA-N 1 0 215.347 1.304 10 0 BDAERO C[N@H+](CCOCCO)C[C@@H]1Cc2ccccc21 ZINC000287061030 386093246 /nfs/dbraw/zinc/09/32/46/386093246.db2.gz UMNXYAVIXOTZPX-ZDUSSCGKSA-N 1 0 235.327 1.267 10 0 BDAERO [O-][N+]1=C2CCCCC2=[N+](O)C12CCCC2 ZINC000643300829 386171001 /nfs/dbraw/zinc/17/10/01/386171001.db2.gz INILKMFCATVEBY-UHFFFAOYSA-N 1 0 210.277 1.530 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)[C@H](CO)C(C)(C)C ZINC000647969464 386189423 /nfs/dbraw/zinc/18/94/23/386189423.db2.gz ZQWQVWNSWHNPGC-FRRDWIJNSA-N 1 0 243.391 1.876 10 0 BDAERO [NH3+][C@@H]1COc2ccc3ncccc3c2C1 ZINC000039117520 386200751 /nfs/dbraw/zinc/20/07/51/386200751.db2.gz AHFVYUVBTCYPCL-QMMMGPOBSA-N 1 0 200.241 1.497 10 0 BDAERO Cc1cnn(CC[NH2+]C[C@@H]2CCSC2)c1 ZINC000226379633 386236773 /nfs/dbraw/zinc/23/67/73/386236773.db2.gz SUXMPDFTCCJYDP-NSHDSACASA-N 1 0 225.361 1.534 10 0 BDAERO C[NH2+][C@@H](c1cccs1)c1cncnc1 ZINC000052886959 386260942 /nfs/dbraw/zinc/26/09/42/386260942.db2.gz RPELWUPJILKSPP-SNVBAGLBSA-N 1 0 205.286 1.847 10 0 BDAERO Cc1ccnc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)n1 ZINC000425525910 386311827 /nfs/dbraw/zinc/31/18/27/386311827.db2.gz IPDAKCBLOHSFMF-YNEHKIRRSA-N 1 0 247.342 1.378 10 0 BDAERO C[C@@H]1CCN1[C@@]1(C[NH3+])CCS[C@@H]1C ZINC000575589084 386312444 /nfs/dbraw/zinc/31/24/44/386312444.db2.gz GKQRHCAGWWNUFP-OPRDCNLKSA-N 1 0 200.351 1.304 10 0 BDAERO Cc1oncc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425528625 386318699 /nfs/dbraw/zinc/31/86/99/386318699.db2.gz SEXKWNLOVZAWCR-GVXVVHGQSA-N 1 0 236.315 1.576 10 0 BDAERO COC[C@@H]([NH2+][C@H]1CCCn2ncnc21)C1CC1 ZINC000164819209 386329834 /nfs/dbraw/zinc/32/98/34/386329834.db2.gz GNMBYOBHDFVLSE-WDEREUQCSA-N 1 0 236.319 1.128 10 0 BDAERO CC[C@H]([NH2+]CCCOCCO)C(C)(C)C ZINC000336774379 386339271 /nfs/dbraw/zinc/33/92/71/386339271.db2.gz ZSOJAAQUAHBTQP-NSHDSACASA-N 1 0 217.353 1.800 10 0 BDAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)C1CC1 ZINC000336733013 386439756 /nfs/dbraw/zinc/43/97/56/386439756.db2.gz LZFWGRAZKXGUGZ-LSJOCFKGSA-N 1 0 210.321 1.432 10 0 BDAERO C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)C(C)(C)C ZINC000399185941 386443440 /nfs/dbraw/zinc/44/34/40/386443440.db2.gz TXIWPYWBBNBDQQ-BBBLOLIVSA-N 1 0 212.337 1.474 10 0 BDAERO CCC[C@@H](C(=O)NCC(C)(C)OCC)[NH+](C)C ZINC000188354954 386430903 /nfs/dbraw/zinc/43/09/03/386430903.db2.gz IDSWCZYEYFJGRV-NSHDSACASA-N 1 0 244.379 1.648 10 0 BDAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C12CCC2 ZINC000521399816 386434810 /nfs/dbraw/zinc/43/48/10/386434810.db2.gz SXJWLOYSKBKCIE-VIFPVBQESA-N 1 0 226.320 1.877 10 0 BDAERO [NH3+][C@@H]1Cc2ccccc2O[C@@H]1C(F)(F)F ZINC000521399578 386434910 /nfs/dbraw/zinc/43/49/10/386434910.db2.gz AAMBEWXHCMJKOP-APPZFPTMSA-N 1 0 217.190 1.880 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]C[C@@H](C)SC ZINC000227896363 386520197 /nfs/dbraw/zinc/52/01/97/386520197.db2.gz XDICAHWNALIGMA-GHMZBOCLSA-N 1 0 235.393 1.505 10 0 BDAERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCOCC(F)(F)F ZINC000399203239 386456046 /nfs/dbraw/zinc/45/60/46/386456046.db2.gz CZQLKUADVOHNBZ-DTWKUNHWSA-N 1 0 241.253 1.411 10 0 BDAERO O=C1NC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]12 ZINC000238855471 386536498 /nfs/dbraw/zinc/53/64/98/386536498.db2.gz RZDNWXGLKFTFQQ-STQMWFEESA-N 1 0 230.311 1.255 10 0 BDAERO COCc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000335499857 386627573 /nfs/dbraw/zinc/62/75/73/386627573.db2.gz LSSLEIBBMWMRKV-ZWNOBZJWSA-N 1 0 248.326 1.395 10 0 BDAERO Nc1ccc(SC[C@H]2CC[NH2+]C2)cn1 ZINC000051891151 386629843 /nfs/dbraw/zinc/62/98/43/386629843.db2.gz AVLIUSHNRLCKBW-QMMMGPOBSA-N 1 0 209.318 1.365 10 0 BDAERO [NH3+]C[C@H]1COc2c(Br)cccc2C1 ZINC000096987684 386631973 /nfs/dbraw/zinc/63/19/73/386631973.db2.gz XXNKGQZRJYDHHW-ZETCQYMHSA-N 1 0 242.116 1.959 10 0 BDAERO CS[C@H]1C[NH2+]C[C@@H]1N(C)C(C)(C)C ZINC000306680468 386646576 /nfs/dbraw/zinc/64/65/76/386646576.db2.gz KXTGYVHVPXKSBM-IUCAKERBSA-N 1 0 202.367 1.420 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)NCC2CC=CC2)C1 ZINC000638490610 386615432 /nfs/dbraw/zinc/61/54/32/386615432.db2.gz BFQCIVJRMZPJIQ-QWRGUYRKSA-N 1 0 208.305 1.196 10 0 BDAERO CN1CC[C@@H]([NH2+][C@@H]2CSC2(C)C)C1 ZINC000307468764 386676074 /nfs/dbraw/zinc/67/60/74/386676074.db2.gz RUXQREPAQJQQMW-RKDXNWHRSA-N 1 0 200.351 1.174 10 0 BDAERO CC1(C)SC[C@@H]1Nc1cc[nH+]c(N)c1 ZINC000307472379 386677033 /nfs/dbraw/zinc/67/70/33/386677033.db2.gz YXRZFGZRZVZUNC-QMMMGPOBSA-N 1 0 209.318 1.970 10 0 BDAERO CC(C)[NH2+]CCN1CCC[C@](C)(O)CC1 ZINC000230374605 134508051 /nfs/dbraw/zinc/50/80/51/134508051.db2.gz OXIFNQPBCJTWPT-LBPRGKRZSA-N 1 0 214.353 1.221 10 0 BDAERO Cc1nn(C)c(C)c1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000520565638 386694921 /nfs/dbraw/zinc/69/49/21/386694921.db2.gz RDGZWUMLCNSAEA-BXKDBHETSA-N 1 0 236.363 1.837 10 0 BDAERO Cc1nnc(C[NH2+]C[C@@H](O)C(C)(C)C)s1 ZINC000391986854 386714682 /nfs/dbraw/zinc/71/46/82/386714682.db2.gz SSUBCODZTOZEGS-MRVPVSSYSA-N 1 0 229.349 1.343 10 0 BDAERO COc1cc(C(F)(F)F)cc(NN)[nH+]1 ZINC000138081626 386726020 /nfs/dbraw/zinc/72/60/20/386726020.db2.gz AQROSQLVCDEERB-UHFFFAOYSA-N 1 0 207.155 1.395 10 0 BDAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000336761006 386747452 /nfs/dbraw/zinc/74/74/52/386747452.db2.gz MSIXAFOGBFAUMI-HBNTYKKESA-N 1 0 212.337 1.678 10 0 BDAERO CCOC[C@H](C)N[C@H]1CCC[NH2+][C@@H]1C ZINC000396540651 386772679 /nfs/dbraw/zinc/77/26/79/386772679.db2.gz AKZYWZJLUFVPMR-AXFHLTTASA-N 1 0 200.326 1.142 10 0 BDAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1nccs1 ZINC000396563358 386776931 /nfs/dbraw/zinc/77/69/31/386776931.db2.gz IYGKLNKKQZKPMN-LPEHRKFASA-N 1 0 225.361 1.934 10 0 BDAERO C[C@H]1NCCC[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000396600001 386785576 /nfs/dbraw/zinc/78/55/76/386785576.db2.gz MVZUKEXAFHFCGR-WISYIIOYSA-N 1 0 212.337 1.142 10 0 BDAERO C[C@@H](c1csnn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000398396792 386821705 /nfs/dbraw/zinc/82/17/05/386821705.db2.gz ZIQORGNEYQQFAY-UWVGGRQHSA-N 1 0 238.360 1.379 10 0 BDAERO Cc1cnc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc1C ZINC000395296894 386810080 /nfs/dbraw/zinc/81/00/80/386810080.db2.gz RDXLVGRSAPYFRS-XQQFMLRXSA-N 1 0 246.358 1.657 10 0 BDAERO CO[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1O ZINC000395327074 386813931 /nfs/dbraw/zinc/81/39/31/386813931.db2.gz QCJYBWFYOZRJLH-HBNTYKKESA-N 1 0 249.301 1.503 10 0 BDAERO CC(C)C[C@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000336673412 386830904 /nfs/dbraw/zinc/83/09/04/386830904.db2.gz AWJNYZSWJYXMIG-WDEREUQCSA-N 1 0 201.310 1.114 10 0 BDAERO COC[C@H](O)CNc1cc[nH+]c2c(C)cccc12 ZINC000301685634 386868525 /nfs/dbraw/zinc/86/85/25/386868525.db2.gz UIIZTFXLQAYVNZ-LLVKDONJSA-N 1 0 246.310 1.962 10 0 BDAERO C[C@@H]1CN(C)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000341464260 386916122 /nfs/dbraw/zinc/91/61/22/386916122.db2.gz PUFVZFNIWRQZSR-HKUMRIAESA-N 1 0 240.391 1.730 10 0 BDAERO Cc1nc(CN(C)c2ccccn2)no1 ZINC000302174104 386910360 /nfs/dbraw/zinc/91/03/60/386910360.db2.gz MPKQCYGXAKAQEC-UHFFFAOYSA-N 1 0 204.233 1.409 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000341486121 386912669 /nfs/dbraw/zinc/91/26/69/386912669.db2.gz NJFPNCMGZGTYJE-GHMZBOCLSA-N 1 0 237.347 1.713 10 0 BDAERO CCOC(=O)CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398711989 386963828 /nfs/dbraw/zinc/96/38/28/386963828.db2.gz PBSKAUHSIXBJRY-QJPTWQEYSA-N 1 0 241.331 1.032 10 0 BDAERO COCCCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398720435 386966339 /nfs/dbraw/zinc/96/63/39/386966339.db2.gz HMIAHTIWDJAREX-AVGNSLFASA-N 1 0 227.348 1.506 10 0 BDAERO O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2C1 ZINC000398751422 386983112 /nfs/dbraw/zinc/98/31/12/386983112.db2.gz WCPODMIHWFQLPV-FDYHWXHSSA-N 1 0 225.332 1.116 10 0 BDAERO O=C(c1ccco1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186518133 386994672 /nfs/dbraw/zinc/99/46/72/386994672.db2.gz BBXKDBIIXXLOFB-SNVBAGLBSA-N 1 0 234.299 1.636 10 0 BDAERO CC(C)(O)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398802954 386996104 /nfs/dbraw/zinc/99/61/04/386996104.db2.gz RWAHJKWWHXZGJK-SRVKXCTJSA-N 1 0 227.348 1.240 10 0 BDAERO CC(C)OCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398807962 386997965 /nfs/dbraw/zinc/99/79/65/386997965.db2.gz UITVDXRDMMKAEB-RWMBFGLXSA-N 1 0 227.348 1.504 10 0 BDAERO O[C@@H]1CC[C@H]2C[N@H+](CCCCF)C[C@H]2C1 ZINC000398839925 387006682 /nfs/dbraw/zinc/00/66/82/387006682.db2.gz JVIQFGXIVLSGPL-QJPTWQEYSA-N 1 0 215.312 1.829 10 0 BDAERO C[NH+](C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116453491 386950993 /nfs/dbraw/zinc/95/09/93/386950993.db2.gz UVLSUDDDCFEEKD-JTQLQIEISA-N 1 0 222.288 1.505 10 0 BDAERO CCCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000117880579 387030344 /nfs/dbraw/zinc/03/03/44/387030344.db2.gz RLZCTEVYPGHZDH-CYBMUJFWSA-N 1 0 237.347 1.774 10 0 BDAERO CCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000117879966 387031277 /nfs/dbraw/zinc/03/12/77/387031277.db2.gz QAXMMAFCRIWHGO-ZIAGYGMSSA-N 1 0 242.407 1.954 10 0 BDAERO [NH3+][C@H]1COC[C@@H]1c1occc1Br ZINC000575462163 387033981 /nfs/dbraw/zinc/03/39/81/387033981.db2.gz WNXHIIAGWFIBMV-FSPLSTOPSA-N 1 0 232.077 1.483 10 0 BDAERO O[C@@H]1CC[N@H+](CCC(F)(F)C(F)(F)F)C1 ZINC000575410988 387011477 /nfs/dbraw/zinc/01/14/77/387011477.db2.gz LGNHDGRVCQXJAC-ZCFIWIBFSA-N 1 0 233.180 1.641 10 0 BDAERO Cn1cc([C@@H]2CCC[NH2+]2)nc1Br ZINC000575458617 387028805 /nfs/dbraw/zinc/02/88/05/387028805.db2.gz AIDIZMHQPRQNDF-LURJTMIESA-N 1 0 230.109 1.607 10 0 BDAERO [NH3+][C@@H]1COC[C@H]1c1sccc1Cl ZINC000575469230 387089437 /nfs/dbraw/zinc/08/94/37/387089437.db2.gz OODOHPXTEMVSGO-IYSWYEEDSA-N 1 0 203.694 1.843 10 0 BDAERO [NH3+][C@@]1(Cc2cncs2)CCCSC1 ZINC000575470690 387101817 /nfs/dbraw/zinc/10/18/17/387101817.db2.gz KPBDOTZRPKLGDU-SECBINFHSA-N 1 0 214.359 1.910 10 0 BDAERO CC[C@H](C)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186509432 387106541 /nfs/dbraw/zinc/10/65/41/387106541.db2.gz ZIOJNVRRQKVYEG-WDEREUQCSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)C1CC1 ZINC000186558246 387109568 /nfs/dbraw/zinc/10/95/68/387109568.db2.gz TXMJZUBZWJUEQB-CMPLNLGQSA-N 1 0 236.359 1.776 10 0 BDAERO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2O)CCOC1 ZINC000397232138 387109747 /nfs/dbraw/zinc/10/97/47/387109747.db2.gz RPWYKXOXIUOTCL-IJLUTSLNSA-N 1 0 213.321 1.306 10 0 BDAERO C[C@@H]1CCCC[C@]12[NH2+]CCc1nc[nH]c12 ZINC000238398080 387155978 /nfs/dbraw/zinc/15/59/78/387155978.db2.gz PPBHWHSHJJQFPH-SKDRFNHKSA-N 1 0 205.305 1.961 10 0 BDAERO CC1(C)C[NH2+][C@@H]1c1nccn1CC1CC1 ZINC000536948709 387160550 /nfs/dbraw/zinc/16/05/50/387160550.db2.gz FVOXWCLJSGPPHK-SNVBAGLBSA-N 1 0 205.305 1.964 10 0 BDAERO CCc1nc([C@H]2CC[C@@H](C[NH3+])O2)cs1 ZINC000306202032 387161162 /nfs/dbraw/zinc/16/11/62/387161162.db2.gz LAGVALNWORJUFU-IONNQARKSA-N 1 0 212.318 1.884 10 0 BDAERO CCn1nccc1[C@@H]1C[NH2+]CC12CCC2 ZINC000536951305 387163552 /nfs/dbraw/zinc/16/35/52/387163552.db2.gz PUMGSAABTZATTD-JTQLQIEISA-N 1 0 205.305 1.760 10 0 BDAERO CC[C@H](C)c1nc2[nH]ccc2c(NN)[nH+]1 ZINC000536952061 387163959 /nfs/dbraw/zinc/16/39/59/387163959.db2.gz ACHGZZTXCCARRK-LURJTMIESA-N 1 0 205.265 1.757 10 0 BDAERO COC(=O)[C@@H](c1ccccc1)C(C)(C)[NH3+] ZINC000536952595 387165483 /nfs/dbraw/zinc/16/54/83/387165483.db2.gz DZVAMQOLKQTCQX-SNVBAGLBSA-N 1 0 207.273 1.681 10 0 BDAERO COc1cccc([C@H](C[NH3+])C2(CO)CCC2)c1 ZINC000536952529 387165520 /nfs/dbraw/zinc/16/55/20/387165520.db2.gz DOTMMLBPLRDBOQ-ZDUSSCGKSA-N 1 0 235.327 1.900 10 0 BDAERO CC[C@@H]1CS[C@]2(COC[C@@H]2CC)[NH2+]1 ZINC000575480344 387168651 /nfs/dbraw/zinc/16/86/51/387168651.db2.gz ITMBSXXGDAXIEF-AEJSXWLSSA-N 1 0 201.335 1.854 10 0 BDAERO COc1ccc([C@@H]2CO[C@@H](C[NH3+])C2)cc1OC ZINC000536957743 387171666 /nfs/dbraw/zinc/17/16/66/387171666.db2.gz JUQJQVLGXRYWJE-WDEREUQCSA-N 1 0 237.299 1.535 10 0 BDAERO Cc1cc(N2CC[NH+](C3CCCC3)CC2)n[nH]1 ZINC000187194109 387173294 /nfs/dbraw/zinc/17/32/94/387173294.db2.gz DXFUCJZXQPDBEM-UHFFFAOYSA-N 1 0 234.347 1.783 10 0 BDAERO CC[C@]1(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC[NH2+]C1 ZINC000062887374 387176121 /nfs/dbraw/zinc/17/61/21/387176121.db2.gz AEKVLOFMHHOOAF-WZRBSPASSA-N 1 0 240.347 1.012 10 0 BDAERO CC[C@]1(C(=O)N[C@H]2CCC[C@@H]2OC)CC[NH2+]C1 ZINC000062903303 387179437 /nfs/dbraw/zinc/17/94/37/387179437.db2.gz QANVODCSAWMZDN-GVXVVHGQSA-N 1 0 240.347 1.060 10 0 BDAERO CC[C@H]1C[N@@H+](C2CCCC2)CCN1C[C@@H](C)O ZINC000120090496 387179529 /nfs/dbraw/zinc/17/95/29/387179529.db2.gz HIMCSBQYXMNUCG-OLZOCXBDSA-N 1 0 240.391 1.706 10 0 BDAERO CC(C)C(C[NH2+]C[C@H]1CN(C)CCO1)C(C)C ZINC000229556251 387180009 /nfs/dbraw/zinc/18/00/09/387180009.db2.gz QWVLBYDTLVKKNO-ZDUSSCGKSA-N 1 0 242.407 1.835 10 0 BDAERO C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCOCC1 ZINC000120106467 387185409 /nfs/dbraw/zinc/18/54/09/387185409.db2.gz JKCPHLDGUCYPNJ-AWEZNQCLSA-N 1 0 238.375 1.726 10 0 BDAERO CC(C)([NH3+])[C@@H](O)c1cncc(Cl)c1 ZINC000575584932 387137956 /nfs/dbraw/zinc/13/79/56/387137956.db2.gz ZMNLWSUMYOKWRG-QMMMGPOBSA-N 1 0 200.669 1.506 10 0 BDAERO CC(C)[C@@H]1COC[C@@]12[NH2+][C@H](C)CS2 ZINC000575483288 387202355 /nfs/dbraw/zinc/20/23/55/387202355.db2.gz UYWGRJQDGBHORN-UTLUCORTSA-N 1 0 201.335 1.710 10 0 BDAERO C[C@@H]1CCN1[C@@]1(C[NH3+])CSC[C@H]1C ZINC000575592977 387222672 /nfs/dbraw/zinc/22/26/72/387222672.db2.gz ZLKKSUPHWCQMDX-BBBLOLIVSA-N 1 0 200.351 1.161 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc32)C[C@@H](CO)O1 ZINC000230013940 387227330 /nfs/dbraw/zinc/22/73/30/387227330.db2.gz ITFBDSJLXHJCDP-XBFCOCLRSA-N 1 0 247.338 1.408 10 0 BDAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000286096630 387314499 /nfs/dbraw/zinc/31/44/99/387314499.db2.gz MISLTMSTZDJORD-KKZNHRDASA-N 1 0 221.304 1.609 10 0 BDAERO C[C@@H]([NH3+])[C@H](O)c1cscc1Br ZINC000575491100 387277105 /nfs/dbraw/zinc/27/71/05/387277105.db2.gz BWLLAAZDTKLNTQ-FBCQKBJTSA-N 1 0 236.134 1.891 10 0 BDAERO OC1CC(C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000161885844 387280452 /nfs/dbraw/zinc/28/04/52/387280452.db2.gz RHBKNIRTXUSAGK-CPCZMJQVSA-N 1 0 247.338 1.913 10 0 BDAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000392887497 387297057 /nfs/dbraw/zinc/29/70/57/387297057.db2.gz LSYOIQPSLBKPMH-PWSUYJOCSA-N 1 0 240.347 1.060 10 0 BDAERO CC(C)n1ccnc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000292160304 387357135 /nfs/dbraw/zinc/35/71/35/387357135.db2.gz KTWNKGJVUBWBJK-GHMZBOCLSA-N 1 0 223.320 1.731 10 0 BDAERO COC[C@@H](C)[NH2+]CC(=O)N1CCCCCC1 ZINC000020042129 387357743 /nfs/dbraw/zinc/35/77/43/387357743.db2.gz VSXZVNUODWVPDU-LLVKDONJSA-N 1 0 228.336 1.014 10 0 BDAERO COc1ccnc(C2CC[NH+](C)CC2)n1 ZINC000575600957 387358899 /nfs/dbraw/zinc/35/88/99/387358899.db2.gz ATSIXKFAZNIBIR-UHFFFAOYSA-N 1 0 207.277 1.294 10 0 BDAERO CC[C@@H]1CS[C@@]2(CC[NH2+][C@@H](C)C2)N1 ZINC000575511531 387382128 /nfs/dbraw/zinc/38/21/28/387382128.db2.gz FQUFPUKVWBSGLK-IVZWLZJFSA-N 1 0 200.351 1.570 10 0 BDAERO Nc1cncc(Cl)c1N1CCOCC1 ZINC000306229218 387329877 /nfs/dbraw/zinc/32/98/77/387329877.db2.gz XWSHLQZNNKJCRL-UHFFFAOYSA-N 1 0 213.668 1.154 10 0 BDAERO CC(C)(C)[S@](=O)[C@@H]1CCC[NH2+]CC1 ZINC000575496243 387333065 /nfs/dbraw/zinc/33/30/65/387333065.db2.gz LCEULIKOAXPPNK-NOZJJQNGSA-N 1 0 203.351 1.676 10 0 BDAERO C[NH2+][C@@H]1CCCN([C@H](C)C(F)(F)F)C1 ZINC000306555390 387344236 /nfs/dbraw/zinc/34/42/36/387344236.db2.gz LSFHLHQNAXROSY-HTQZYQBOSA-N 1 0 210.243 1.621 10 0 BDAERO CCC(O)(CC)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352669395 387432026 /nfs/dbraw/zinc/43/20/26/387432026.db2.gz ZLQAESXGVCMWJV-MNOVXSKESA-N 1 0 215.337 1.383 10 0 BDAERO CN(C(=[NH2+])NO)[C@H]1CCCSCC1 ZINC000575517781 387434279 /nfs/dbraw/zinc/43/42/79/387434279.db2.gz IYCHKOVCZBLOLJ-ZETCQYMHSA-N 1 0 203.311 1.117 10 0 BDAERO OC1CC([NH2+][C@H]2CCCSCC2)C1 ZINC000575518088 387434840 /nfs/dbraw/zinc/43/48/40/387434840.db2.gz KIEFTZJVILXJOY-IDKOKCKLSA-N 1 0 201.335 1.385 10 0 BDAERO C[C@H]1CN[C@]2(C[N@H+](C)C(C)(C)C2)S1 ZINC000575521174 387452285 /nfs/dbraw/zinc/45/22/85/387452285.db2.gz PJFMHLMOZWSSGT-WPRPVWTQSA-N 1 0 200.351 1.522 10 0 BDAERO C[C@@H]1CC[NH2+][C@@H]([C@H]2CCCCO2)S1 ZINC000575523684 387456653 /nfs/dbraw/zinc/45/66/53/387456653.db2.gz VFYWQBQGIRKEOU-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@@H]1CS[C@H]([C@H]2CCCCO2)[NH2+]1 ZINC000575523435 387457270 /nfs/dbraw/zinc/45/72/70/387457270.db2.gz SXMRHASQZRDDRJ-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO [NH3+][C@H](c1cncs1)[C@@H]1CSCCS1 ZINC000575513738 387386582 /nfs/dbraw/zinc/38/65/82/387386582.db2.gz FYLCMKHCEHNIEY-JGVFFNPUSA-N 1 0 232.399 1.992 10 0 BDAERO CC1CN(c2c(N)c[nH+]cc2Br)C1 ZINC000575514153 387386687 /nfs/dbraw/zinc/38/66/87/387386687.db2.gz FDIHDFDQTRNTJH-UHFFFAOYSA-N 1 0 242.120 1.882 10 0 BDAERO Cc1cnc2ncn(CCC[NH+](C)C)c(N)c1-2 ZINC000584659413 387505817 /nfs/dbraw/zinc/50/58/17/387505817.db2.gz JFMUXEDOMNEQAU-UHFFFAOYSA-N 1 0 233.319 1.104 10 0 BDAERO CCC(C)(C)NC(=O)Nc1ncccc1C[NH3+] ZINC000395949463 387512429 /nfs/dbraw/zinc/51/24/29/387512429.db2.gz JXJFGGILCLHOKW-UHFFFAOYSA-N 1 0 236.319 1.850 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@H](C)[NH2+]C ZINC000395938486 387512452 /nfs/dbraw/zinc/51/24/52/387512452.db2.gz DGYUHUHVAACNEK-QMMMGPOBSA-N 1 0 201.314 1.082 10 0 BDAERO [NH3+][C@@H]1COC[C@@H]1Cc1ccc(Br)o1 ZINC000575529932 387541713 /nfs/dbraw/zinc/54/17/13/387541713.db2.gz HFJVUVUIXXKTLR-POYBYMJQSA-N 1 0 246.104 1.558 10 0 BDAERO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C(C)(C)C)O1 ZINC000324647233 387491348 /nfs/dbraw/zinc/49/13/48/387491348.db2.gz ZFRQFPBMAXXHDD-MXWKQRLJSA-N 1 0 215.337 1.551 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528756625 387587036 /nfs/dbraw/zinc/58/70/36/387587036.db2.gz BILPBJHRIKQLDR-GCHJQGSQSA-N 1 0 215.337 1.549 10 0 BDAERO FC(F)[C@H]1C[NH2+]CCN1CC1(F)CC1 ZINC000306346010 387591106 /nfs/dbraw/zinc/59/11/06/387591106.db2.gz PCYNNSXPOBHANR-SSDOTTSWSA-N 1 0 208.227 1.027 10 0 BDAERO CC(C)[C@@](C)([NH2+]C[C@H]1Cc2ccccc21)C(N)=O ZINC000297709652 387593571 /nfs/dbraw/zinc/59/35/71/387593571.db2.gz QZCLTOPPACMMPL-IUODEOHRSA-N 1 0 246.354 1.816 10 0 BDAERO Cc1cc(C[N@@H+]2CC[C@@H](CCO)C2)ccn1 ZINC000527533294 387624502 /nfs/dbraw/zinc/62/45/02/387624502.db2.gz IFGSFQMBBWXIAM-LBPRGKRZSA-N 1 0 220.316 1.594 10 0 BDAERO Cc1nc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)oc1C ZINC000113270705 387547870 /nfs/dbraw/zinc/54/78/70/387547870.db2.gz ALCUUZUSZBCVEK-GWCFXTLKSA-N 1 0 249.358 1.960 10 0 BDAERO CC[C@]1(C(=O)N2CCS[C@@H](C)C2)CC[NH2+]C1 ZINC000119440900 387555377 /nfs/dbraw/zinc/55/53/77/387555377.db2.gz RAWMUQUTHGIFDL-JQWIXIFHSA-N 1 0 242.388 1.340 10 0 BDAERO CC[C@H]([NH3+])C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000037041516 387559407 /nfs/dbraw/zinc/55/94/07/387559407.db2.gz VKMKCCJZURSKKP-NSHDSACASA-N 1 0 244.298 1.753 10 0 BDAERO COCC(C)(C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000426394197 387563444 /nfs/dbraw/zinc/56/34/44/387563444.db2.gz IKESACGEKRFCEH-GFCCVEGCSA-N 1 0 229.364 1.896 10 0 BDAERO [NH3+]C1(c2cnc(C3CC3)s2)CSC1 ZINC000575554677 387694622 /nfs/dbraw/zinc/69/46/22/387694622.db2.gz SFKBMVPRCMRDTK-UHFFFAOYSA-N 1 0 212.343 1.921 10 0 BDAERO COc1nc(C2([NH3+])CSC2)cs1 ZINC000575549487 387647068 /nfs/dbraw/zinc/64/70/68/387647068.db2.gz LRJJBTQGKAISAH-UHFFFAOYSA-N 1 0 202.304 1.053 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447735 387690927 /nfs/dbraw/zinc/69/09/27/387690927.db2.gz OZBPPLSPNITORM-GBIKHYSHSA-N 1 0 240.347 1.981 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000575447737 387691195 /nfs/dbraw/zinc/69/11/95/387691195.db2.gz OZBPPLSPNITORM-NRUUGDAUSA-N 1 0 240.347 1.981 10 0 BDAERO C[C@H]1C[C@@]([NH3+])(Cc2cnsn2)CS1 ZINC000575571662 387745175 /nfs/dbraw/zinc/74/51/75/387745175.db2.gz KFJDKMMWMGIEHN-POYBYMJQSA-N 1 0 215.347 1.304 10 0 BDAERO C[C@@H]1C[C@]([NH3+])(c2ccsn2)CS1 ZINC000575573904 387749343 /nfs/dbraw/zinc/74/93/43/387749343.db2.gz ZVIIEJYYJRNOML-HTRCEHHLSA-N 1 0 200.332 1.823 10 0 BDAERO C[C@@H]1CSC[C@@]1([NH3+])Cc1ccns1 ZINC000575558856 387698529 /nfs/dbraw/zinc/69/85/29/387698529.db2.gz DRDCUBQUYINMBW-APPZFPTMSA-N 1 0 214.359 1.766 10 0 BDAERO COC[C@@H](C)N(C)CC[NH2+]Cc1ccccc1 ZINC000053391984 387755741 /nfs/dbraw/zinc/75/57/41/387755741.db2.gz BVRCGWCVKJYMPN-CYBMUJFWSA-N 1 0 236.359 1.743 10 0 BDAERO Cc1nc(CC2([NH3+])CSC2)c(C)s1 ZINC000575569608 387735599 /nfs/dbraw/zinc/73/55/99/387735599.db2.gz PYXDGMUZXCIWDH-UHFFFAOYSA-N 1 0 214.359 1.747 10 0 BDAERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(C)C ZINC000129445322 387771582 /nfs/dbraw/zinc/77/15/82/387771582.db2.gz JBHXVYOHSYEBFS-MNOVXSKESA-N 1 0 222.336 1.617 10 0 BDAERO C[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccco1 ZINC000157335405 387786027 /nfs/dbraw/zinc/78/60/27/387786027.db2.gz UILWDJZURFXVIK-DTWKUNHWSA-N 1 0 208.261 1.290 10 0 BDAERO Cc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1C ZINC000050395268 387793196 /nfs/dbraw/zinc/79/31/96/387793196.db2.gz KXQYZDWBYSNIHE-CYBMUJFWSA-N 1 0 232.327 1.672 10 0 BDAERO c1cnc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000040746449 387794375 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ZINC000368492195 388569387 /nfs/dbraw/zinc/56/93/87/388569387.db2.gz ZIHYAUBQWJEBPK-WDEREUQCSA-N 1 0 247.404 1.600 10 0 BDAERO COC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)C(C)C ZINC000248140988 388674280 /nfs/dbraw/zinc/67/42/80/388674280.db2.gz PPPRUVMMKSTMAS-AVGNSLFASA-N 1 0 229.364 1.798 10 0 BDAERO CCOCCN1CC[N@@H+]([C@H](C)CC)C[C@@H]1C ZINC000248374738 388678008 /nfs/dbraw/zinc/67/80/08/388678008.db2.gz SWOXMPTWNWODAF-OLZOCXBDSA-N 1 0 228.380 1.828 10 0 BDAERO CC[C@@]1(C)[N+]([O-])=C(C)C(c2ccccc2)=[N+]1O ZINC000225402147 388680599 /nfs/dbraw/zinc/68/05/99/388680599.db2.gz QNCVUSUAONCZRH-ZDUSSCGKSA-N 1 0 234.299 1.880 10 0 BDAERO CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246139713 388619784 /nfs/dbraw/zinc/61/97/84/388619784.db2.gz ATJODDRNHUPVEZ-NXEZZACHSA-N 1 0 213.325 1.034 10 0 BDAERO c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000246217362 388623770 /nfs/dbraw/zinc/62/37/70/388623770.db2.gz YHGAWWUSSFNULG-NSHDSACASA-N 1 0 203.289 1.366 10 0 BDAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC2)C1 ZINC000246266508 388626589 /nfs/dbraw/zinc/62/65/89/388626589.db2.gz RMTHCVPLUWWUBW-MWLCHTKSSA-N 1 0 225.336 1.177 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC2)C1 ZINC000246266496 388626713 /nfs/dbraw/zinc/62/67/13/388626713.db2.gz RMTHCVPLUWWUBW-GXSJLCMTSA-N 1 0 225.336 1.177 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1CC[C@@H]1CCCO1 ZINC000189377011 388631684 /nfs/dbraw/zinc/63/16/84/388631684.db2.gz HTHHUQRPJXBIME-UTUOFQBUSA-N 1 0 213.321 1.665 10 0 BDAERO CCOC[C@H](C)[NH2+][C@@H]1CCN(CC)C1 ZINC000328459133 388643387 /nfs/dbraw/zinc/64/33/87/388643387.db2.gz GNSMTAFLVXGFIF-WDEREUQCSA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(C)(C)C)C1 ZINC000247380138 388663017 /nfs/dbraw/zinc/66/30/17/388663017.db2.gz PSDGCYPWINXIQW-WDEREUQCSA-N 1 0 226.364 1.877 10 0 BDAERO CC(C)OC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227055912 388739141 /nfs/dbraw/zinc/73/91/41/388739141.db2.gz VQBGTGLYNPJJGM-QWRGUYRKSA-N 1 0 226.320 1.748 10 0 BDAERO Cn1cc(CN(C[C@@H]2CCC[NH2+]2)C2CC2)cn1 ZINC000328629918 388740192 /nfs/dbraw/zinc/74/01/92/388740192.db2.gz ITYBOVKCMYELAX-LBPRGKRZSA-N 1 0 234.347 1.137 10 0 BDAERO COC(=O)[C@@H]1CCC[N@H+](CCCF)C1 ZINC000126531436 388697602 /nfs/dbraw/zinc/69/76/02/388697602.db2.gz XIGJKPVFJRWISM-SECBINFHSA-N 1 0 203.257 1.231 10 0 BDAERO CSCCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000193267979 388698309 /nfs/dbraw/zinc/69/83/09/388698309.db2.gz MSVQFSFRNUMAAT-LLVKDONJSA-N 1 0 246.420 1.832 10 0 BDAERO C[NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000250694469 388700811 /nfs/dbraw/zinc/70/08/11/388700811.db2.gz AWKWXITXBWLLJK-ZYHUDNBSSA-N 1 0 222.336 1.022 10 0 BDAERO Cn1c(C[NH3+])nc2cncc(Br)c21 ZINC000575454087 388756446 /nfs/dbraw/zinc/75/64/46/388756446.db2.gz WDLRZSLMYWDGQP-UHFFFAOYSA-N 1 0 241.092 1.190 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC1 ZINC000128821441 388796703 /nfs/dbraw/zinc/79/67/03/388796703.db2.gz RMFISTFJBVIRHC-NSHDSACASA-N 1 0 225.336 1.275 10 0 BDAERO C[C@@H]([NH3+])CCNC(=O)/C=C\C1CCCCC1 ZINC000254944392 388866767 /nfs/dbraw/zinc/86/67/67/388866767.db2.gz JMEIJFLPSUSSFF-SKVAFPRGSA-N 1 0 224.348 1.976 10 0 BDAERO CS[C@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000163100127 388868258 /nfs/dbraw/zinc/86/82/58/388868258.db2.gz VSRZPJMYEMTTIM-ZJUUUORDSA-N 1 0 230.377 1.291 10 0 BDAERO C[C@@H](F)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000564859961 388895785 /nfs/dbraw/zinc/89/57/85/388895785.db2.gz LATCRSIYUYEHHP-GHMZBOCLSA-N 1 0 245.294 1.495 10 0 BDAERO CC1CN([C@]2(C[NH3+])CSC[C@@H]2C)C1 ZINC000575494714 388954073 /nfs/dbraw/zinc/95/40/73/388954073.db2.gz XMDRXUNRRZMKGX-VHSXEESVSA-N 1 0 200.351 1.019 10 0 BDAERO CCC[C@@H](C(=O)NC[C@@]1(C)CCCO1)[NH+](C)C ZINC000153482165 388978406 /nfs/dbraw/zinc/97/84/06/388978406.db2.gz NFDUTYXQFQPMPV-WCQYABFASA-N 1 0 242.363 1.402 10 0 BDAERO CC[C@@H]1C[C@]2(CO1)[NH2+]CC[C@H](C)S2 ZINC000575506875 388992498 /nfs/dbraw/zinc/99/24/98/388992498.db2.gz CMASPFSZNQLIIS-AEJSXWLSSA-N 1 0 201.335 1.997 10 0 BDAERO CC[C@@H]1C[C@@]2(CO1)[NH2+]CC[C@@H](C)S2 ZINC000575506886 388993443 /nfs/dbraw/zinc/99/34/43/388993443.db2.gz CMASPFSZNQLIIS-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO C[NH2+][C@@H]1CO[C@]2(C1)CC[C@@H](C)SC2 ZINC000575509300 389003294 /nfs/dbraw/zinc/00/32/94/389003294.db2.gz WGMSOKPCGYTYLJ-UTLUCORTSA-N 1 0 201.335 1.649 10 0 BDAERO CC[C@@H]1CS[C@]2(CO[C@H](CC)C2)[NH2+]1 ZINC000575509935 389006246 /nfs/dbraw/zinc/00/62/46/389006246.db2.gz RERCKHCQFFGXTD-OPRDCNLKSA-N 1 0 201.335 1.997 10 0 BDAERO CSCCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661551 389032262 /nfs/dbraw/zinc/03/22/62/389032262.db2.gz LZFQTGPPRILSME-NEPJUHHUSA-N 1 0 228.405 1.908 10 0 BDAERO C[C@@H]1CN(c2ncc(C[NH3+])cc2Cl)CCO1 ZINC000051396233 132360026 /nfs/dbraw/zinc/36/00/26/132360026.db2.gz SLDRCPRJSAKHHQ-MRVPVSSYSA-N 1 0 241.722 1.419 10 0 BDAERO C[C@@H]1CN(c2cncc(F)c2)C[C@H](C)[NH2+]1 ZINC000053712547 132363517 /nfs/dbraw/zinc/36/35/17/132363517.db2.gz CFCIVFKFWLQVDC-DTORHVGOSA-N 1 0 209.268 1.407 10 0 BDAERO CCN(CC(=O)NC)[C@H](C[NH3+])c1ccccc1C ZINC000043035140 169721701 /nfs/dbraw/zinc/72/17/01/169721701.db2.gz ZDCIESKFRYMUTF-CYBMUJFWSA-N 1 0 249.358 1.063 10 0 BDAERO COc1cccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)n1 ZINC000401928883 533485421 /nfs/dbraw/zinc/48/54/21/533485421.db2.gz AZUXLGZARNHOGG-PWSUYJOCSA-N 1 0 236.315 1.293 10 0 BDAERO C[C@@H](Nc1ncc(Br)cn1)[C@H](C)[NH3+] ZINC000307072427 533564139 /nfs/dbraw/zinc/56/41/39/533564139.db2.gz IIBFZCQMRZRIKQ-NTSWFWBYSA-N 1 0 245.124 1.387 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000082835404 322825461 /nfs/dbraw/zinc/82/54/61/322825461.db2.gz ZPNYKRSQQZBZLK-OPRDCNLKSA-N 1 0 212.337 1.535 10 0 BDAERO CC(C)CCN(C)C(=O)[C@@H]1[NH2+]CCC[C@@H]1C ZINC000051793442 166831344 /nfs/dbraw/zinc/83/13/44/166831344.db2.gz LNWATTWQTRUFLU-NWDGAFQWSA-N 1 0 226.364 1.879 10 0 BDAERO [NH3+]CC1CCN(c2ccc(F)cn2)CC1 ZINC000044514889 132225034 /nfs/dbraw/zinc/22/50/34/132225034.db2.gz QVJOWTFJTAJAQQ-UHFFFAOYSA-N 1 0 209.268 1.396 10 0 BDAERO [NH3+]CC1CCN(c2cccc(Cl)n2)CC1 ZINC000045949590 132298558 /nfs/dbraw/zinc/29/85/58/132298558.db2.gz QHNKZKWXDLNEQW-UHFFFAOYSA-N 1 0 225.723 1.910 10 0 BDAERO CCc1nc(C)c(CC)c(N2CCC([NH3+])CC2)n1 ZINC000045951024 132299343 /nfs/dbraw/zinc/29/93/43/132299343.db2.gz IIUPOCDKNCWNHC-UHFFFAOYSA-N 1 0 248.374 1.837 10 0 BDAERO C[C@@H]([NH3+])Cc1ccc2c(c1)CCCN2C ZINC000033825546 132312002 /nfs/dbraw/zinc/31/20/02/132312002.db2.gz SHRNQTPSBJMGFI-SNVBAGLBSA-N 1 0 204.317 1.959 10 0 BDAERO CC[C@@H]1CN(c2ccccc2OC)CC[NH2+]1 ZINC000016944807 132323581 /nfs/dbraw/zinc/32/35/81/132323581.db2.gz KAAHELRTHXJHTE-LLVKDONJSA-N 1 0 220.316 1.883 10 0 BDAERO CC[C@H]1CN(c2cccc(OC)c2)CC[NH2+]1 ZINC000016944820 132323637 /nfs/dbraw/zinc/32/36/37/132323637.db2.gz KRUSEGWEXRBMRE-NSHDSACASA-N 1 0 220.316 1.883 10 0 BDAERO [NH3+]Cc1cccnc1N1CCCC[C@@H]1CCO ZINC000019260751 132324244 /nfs/dbraw/zinc/32/42/44/132324244.db2.gz ZPIXFXLEKWAMJB-GFCCVEGCSA-N 1 0 235.331 1.282 10 0 BDAERO CC[C@](C)(C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000019518496 132325998 /nfs/dbraw/zinc/32/59/98/132325998.db2.gz DADZMTYKIVAWEI-OAHLLOKOSA-N 1 0 247.386 1.936 10 0 BDAERO C[C@@H]1CN(c2cc[nH+]cc2N)C[C@@H](C)O1 ZINC000019763653 132327071 /nfs/dbraw/zinc/32/70/71/132327071.db2.gz KCQKKCABCVOWDM-RKDXNWHRSA-N 1 0 207.277 1.277 10 0 BDAERO C[NH2+]C[C@@H](O)CN1CCCc2cc(C)ccc21 ZINC000019864115 132327902 /nfs/dbraw/zinc/32/79/02/132327902.db2.gz QKJPLVGPKRRJOC-CYBMUJFWSA-N 1 0 234.343 1.328 10 0 BDAERO C[C@@H]1CN(c2ccccc2C[NH3+])C[C@H](C)O1 ZINC000020075533 132329383 /nfs/dbraw/zinc/32/93/83/132329383.db2.gz RLCZGQBPXYFAOY-PHIMTYICSA-N 1 0 220.316 1.759 10 0 BDAERO Nc1ccccc1N1CC[NH+](C2CC2)CC1 ZINC000020265464 132330998 /nfs/dbraw/zinc/33/09/98/132330998.db2.gz DDBKDJIOGALPCF-UHFFFAOYSA-N 1 0 217.316 1.553 10 0 BDAERO [NH3+]C1CCN(c2c(F)cccc2F)CC1 ZINC000020476393 132331802 /nfs/dbraw/zinc/33/18/02/132331802.db2.gz BUPJQFYBZCCCDB-UHFFFAOYSA-N 1 0 212.243 1.892 10 0 BDAERO CC(C)[NH2+]C[C@H](O)CN1CCCc2ccccc21 ZINC000034978492 132337373 /nfs/dbraw/zinc/33/73/73/132337373.db2.gz AWLOIPFRKGIMAI-AWEZNQCLSA-N 1 0 248.370 1.798 10 0 BDAERO C[C@@H]1CO[C@@H](C)CN1c1ccc(C[NH3+])cn1 ZINC000035782477 132339784 /nfs/dbraw/zinc/33/97/84/132339784.db2.gz JJIKGGBHRRKGNB-ZJUUUORDSA-N 1 0 221.304 1.154 10 0 BDAERO CC[NH+]1CCN(c2cc(N)cc(F)c2)CC1 ZINC000037666537 132344969 /nfs/dbraw/zinc/34/49/69/132344969.db2.gz KNPGFIAQXLQYER-UHFFFAOYSA-N 1 0 223.295 1.550 10 0 BDAERO c1cc2c(c(N3CC[NH2+]CC3)c1)CCO2 ZINC000040443088 132347583 /nfs/dbraw/zinc/34/75/83/132347583.db2.gz OPKALNWWCKYNMN-UHFFFAOYSA-N 1 0 204.273 1.031 10 0 BDAERO CN1C(=O)C[C@H]([NH2+]CCCCO)c2ccccc21 ZINC000234311074 132347944 /nfs/dbraw/zinc/34/79/44/132347944.db2.gz NCJSWKQWZFCLBH-LBPRGKRZSA-N 1 0 248.326 1.456 10 0 BDAERO C[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000040538647 132348141 /nfs/dbraw/zinc/34/81/41/132348141.db2.gz IJTRDFBHLDYCKN-UHFFFAOYSA-N 1 0 205.305 1.791 10 0 BDAERO C[C@H]1C[NH2+]CCN1c1ccc(N(C)C)cc1 ZINC000041233456 132349826 /nfs/dbraw/zinc/34/98/26/132349826.db2.gz SAUUQIVPVXEAPX-NSHDSACASA-N 1 0 219.332 1.551 10 0 BDAERO C[C@H]([NH3+])Cc1cc(F)ccc1N1CCOCC1 ZINC000044463259 132354022 /nfs/dbraw/zinc/35/40/22/132354022.db2.gz KLINHJOHWONQJL-JTQLQIEISA-N 1 0 238.306 1.552 10 0 BDAERO C[C@H]1CN(c2cc[nH+]cc2N)CC(C)(C)O1 ZINC000045687169 132354633 /nfs/dbraw/zinc/35/46/33/132354633.db2.gz XSSFAECCHOERCY-VIFPVBQESA-N 1 0 221.304 1.668 10 0 BDAERO C[C@@H]([NH3+])[C@@H](O)c1ccc2c(c1)CCCN2C ZINC000050285926 132358833 /nfs/dbraw/zinc/35/88/33/132358833.db2.gz PKKOLZSWYCBGCH-NOZJJQNGSA-N 1 0 220.316 1.450 10 0 BDAERO Cc1cccnc1N1CCC[C@@H](C[NH3+])C1 ZINC000051041286 132359825 /nfs/dbraw/zinc/35/98/25/132359825.db2.gz YYCMJBRURKALQA-NSHDSACASA-N 1 0 205.305 1.565 10 0 BDAERO C[C@@H]1COCCN1c1ncc(C[NH3+])cc1Cl ZINC000051396853 132360394 /nfs/dbraw/zinc/36/03/94/132360394.db2.gz MYBUUWUUAKWMDJ-MRVPVSSYSA-N 1 0 241.722 1.419 10 0 BDAERO C[C@@H]1CN(c2ccnc(C[NH3+])c2)[C@H](C)CO1 ZINC000051396869 132360435 /nfs/dbraw/zinc/36/04/35/132360435.db2.gz LRNORWMVPQNTDO-NXEZZACHSA-N 1 0 221.304 1.154 10 0 BDAERO CC[NH2+]Cc1ccnc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000051399714 132360579 /nfs/dbraw/zinc/36/05/79/132360579.db2.gz AEDRQNDTUGHVFE-TXEJJXNPSA-N 1 0 249.358 1.805 10 0 BDAERO C[NH2+]Cc1cccc(N2CCO[C@H](C)C2)n1 ZINC000051400096 132360759 /nfs/dbraw/zinc/36/07/59/132360759.db2.gz FIVVNRZAACINJG-SNVBAGLBSA-N 1 0 221.304 1.026 10 0 BDAERO C[C@@H]1CCN(c2ccc(C[NH3+])nn2)[C@H](C)C1 ZINC000051748768 132361841 /nfs/dbraw/zinc/36/18/41/132361841.db2.gz XJCPVXCHGDDGJI-NXEZZACHSA-N 1 0 220.320 1.560 10 0 BDAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ncccn1 ZINC000053704195 132363251 /nfs/dbraw/zinc/36/32/51/132363251.db2.gz QCUJHNOHOYGCIP-NXEZZACHSA-N 1 0 206.293 1.040 10 0 BDAERO Cc1[nH+]ccc(N2CCO[C@H](CO)C2)c1Cl ZINC000309269785 132365249 /nfs/dbraw/zinc/36/52/49/132365249.db2.gz DIGJDEWUDPTSSI-VIFPVBQESA-N 1 0 242.706 1.241 10 0 BDAERO C[NH2+]Cc1ccnc(N2CCn3ccnc3C2)c1 ZINC000062324356 132387682 /nfs/dbraw/zinc/38/76/82/132387682.db2.gz WFMGTWBMYMNWFR-UHFFFAOYSA-N 1 0 243.314 1.018 10 0 BDAERO Nc1cc[nH+]c2ccc(N3CCOCC3)cc12 ZINC000062997285 132388710 /nfs/dbraw/zinc/38/87/10/132388710.db2.gz UADRNEFKVDJRCR-UHFFFAOYSA-N 1 0 229.283 1.654 10 0 BDAERO Cc1cnc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000063190606 132389579 /nfs/dbraw/zinc/38/95/79/132389579.db2.gz DEHJOPNKUHWYHX-QWHCGFSZSA-N 1 0 246.358 1.896 10 0 BDAERO Cc1ccc(C(N)=O)c(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000070078787 132391560 /nfs/dbraw/zinc/39/15/60/132391560.db2.gz KYNMUMXYPLEXFY-PHIMTYICSA-N 1 0 247.342 1.281 10 0 BDAERO Cc1cccc(N2CC[C@@H](C)C[C@@H]2C[NH3+])n1 ZINC000235367107 132392470 /nfs/dbraw/zinc/39/24/70/132392470.db2.gz PFJNUBJQDSIAPK-ZYHUDNBSSA-N 1 0 219.332 1.954 10 0 BDAERO C[NH2+]CC1CCN(c2cccc(OC)n2)CC1 ZINC000104120798 132434814 /nfs/dbraw/zinc/43/48/14/132434814.db2.gz AXUCSVUSMXJMOP-UHFFFAOYSA-N 1 0 235.331 1.526 10 0 BDAERO CC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105803678 132436752 /nfs/dbraw/zinc/43/67/52/132436752.db2.gz NGLVBTKOKBVDOQ-NSHDSACASA-N 1 0 220.320 1.397 10 0 BDAERO CCCCCOCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000157747787 133491682 /nfs/dbraw/zinc/49/16/82/133491682.db2.gz VKWUANBRUOCXIE-NSHDSACASA-N 1 0 228.336 1.143 10 0 BDAERO CCSCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172794859 134269415 /nfs/dbraw/zinc/26/94/15/134269415.db2.gz QVVLUKBJROEOEI-LLVKDONJSA-N 1 0 214.378 1.520 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOC ZINC000174972664 134283967 /nfs/dbraw/zinc/28/39/67/134283967.db2.gz FEVXMHHNSPNATH-VXGBXAGGSA-N 1 0 240.347 1.108 10 0 BDAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCO)C12CCCC2 ZINC000177796802 134299919 /nfs/dbraw/zinc/29/99/19/134299919.db2.gz FWXBMHHLQRSUII-VXGBXAGGSA-N 1 0 227.348 1.648 10 0 BDAERO OCC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000177814880 134300140 /nfs/dbraw/zinc/30/01/40/134300140.db2.gz NELKOPCGNHYBES-UHFFFAOYSA-N 1 0 238.306 1.694 10 0 BDAERO OCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000177697470 134301126 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BDAERO Cn1c2ccccc2nc1N1CCC(C[NH3+])CC1 ZINC000079047940 135268280 /nfs/dbraw/zinc/26/82/80/135268280.db2.gz NIPHCPVGQXKUEP-UHFFFAOYSA-N 1 0 244.342 1.748 10 0 BDAERO C[C@@H](C(=O)N([C@@H](C)C1CC1)C1CC1)C1C[NH2+]C1 ZINC000262029221 135273837 /nfs/dbraw/zinc/27/38/37/135273837.db2.gz DTNSXIQWVGJQNY-ZJUUUORDSA-N 1 0 236.359 1.631 10 0 BDAERO OCC[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000353683388 135274147 /nfs/dbraw/zinc/27/41/47/135274147.db2.gz PTDXLOKPIWQBPM-LBPRGKRZSA-N 1 0 247.338 1.826 10 0 BDAERO O[C@H]1C[NH2+]C[C@H]1CNCc1coc2ccccc12 ZINC000262130925 135280758 /nfs/dbraw/zinc/28/07/58/135280758.db2.gz NXNUOOUGURFFEH-MFKMUULPSA-N 1 0 246.310 1.103 10 0 BDAERO NC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262233605 135286151 /nfs/dbraw/zinc/28/61/51/135286151.db2.gz ASNSWNCYVBDDGT-YLWLKBPMSA-N 1 0 227.670 1.818 10 0 BDAERO O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)C1C[NH2+]C1 ZINC000262242517 135287536 /nfs/dbraw/zinc/28/75/36/135287536.db2.gz OETLZGFCADSJTK-VXGBXAGGSA-N 1 0 234.274 1.017 10 0 BDAERO O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)C1C[NH2+]C1 ZINC000262242514 135287701 /nfs/dbraw/zinc/28/77/01/135287701.db2.gz OETLZGFCADSJTK-NEPJUHHUSA-N 1 0 234.274 1.017 10 0 BDAERO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C2CC2)C1 ZINC000262463520 135301381 /nfs/dbraw/zinc/30/13/81/135301381.db2.gz XMQYRTNPTZAXSP-DRZSPHRISA-N 1 0 236.359 1.620 10 0 BDAERO C[C@@H](C[NH3+])NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000262540307 135304512 /nfs/dbraw/zinc/30/45/12/135304512.db2.gz RKUZOZYEBDAQRG-WCQGTBRESA-N 1 0 224.348 1.666 10 0 BDAERO CC(C)=C(C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263254325 135342512 /nfs/dbraw/zinc/34/25/12/135342512.db2.gz QHOPKUPIPKKIHF-SNVBAGLBSA-N 1 0 236.319 1.459 10 0 BDAERO O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)C1C[NH2+]C1 ZINC000263314580 135345849 /nfs/dbraw/zinc/34/58/49/135345849.db2.gz PYFKNWFOGBOFEP-HZSPNIEDSA-N 1 0 242.322 1.050 10 0 BDAERO C[C@H](c1ccccc1)[C@H](C)NC(=O)C1C[NH2+]C1 ZINC000263337149 135347172 /nfs/dbraw/zinc/34/71/72/135347172.db2.gz WOKSVFSDSUXEHJ-QWRGUYRKSA-N 1 0 232.327 1.514 10 0 BDAERO O=C(NCCc1ccccc1Cl)C1C[NH2+]C1 ZINC000263332467 135347261 /nfs/dbraw/zinc/34/72/61/135347261.db2.gz VITQHEJBZRGVHL-UHFFFAOYSA-N 1 0 238.718 1.218 10 0 BDAERO Cc1cccc(C(C)(C)NC(=O)C2C[NH2+]C2)c1 ZINC000263335753 135347432 /nfs/dbraw/zinc/34/74/32/135347432.db2.gz WHDPTPBHAFDFCP-UHFFFAOYSA-N 1 0 232.327 1.566 10 0 BDAERO C[C@@]1(CO)CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000334370577 135375499 /nfs/dbraw/zinc/37/54/99/135375499.db2.gz WFFPKJZVGSAXID-STQMWFEESA-N 1 0 227.348 1.792 10 0 BDAERO C[C@@H](Nc1ccc2n[nH]cc2c1)[C@H]1CC[NH2+]C1 ZINC000334863273 135405222 /nfs/dbraw/zinc/40/52/22/135405222.db2.gz MKQHRPGWRGIKNW-ZJUUUORDSA-N 1 0 230.315 1.973 10 0 BDAERO C[C@H](C[NH3+])CNc1ncccc1Br ZINC000083387600 135447128 /nfs/dbraw/zinc/44/71/28/135447128.db2.gz ANMOJSVUMNPCLG-SSDOTTSWSA-N 1 0 244.136 1.851 10 0 BDAERO O=C(N[C@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000084409282 135471699 /nfs/dbraw/zinc/47/16/99/135471699.db2.gz BNWKAGURPIJVAR-LBPRGKRZSA-N 1 0 216.284 1.010 10 0 BDAERO Cc1cccnc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085009535 135477105 /nfs/dbraw/zinc/47/71/05/135477105.db2.gz OMSYMLHQVZGQIF-ZJUUUORDSA-N 1 0 219.288 1.456 10 0 BDAERO C[C@@H](CCO)C[NH2+]CC1CCOCC1 ZINC000085126163 135479958 /nfs/dbraw/zinc/47/99/58/135479958.db2.gz CWYKJWOZSYPGHK-JTQLQIEISA-N 1 0 201.310 1.021 10 0 BDAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCc1ccccc1F ZINC000085356851 135481924 /nfs/dbraw/zinc/48/19/24/135481924.db2.gz YPPXWHCLMGFUIV-ZYHUDNBSSA-N 1 0 236.290 1.569 10 0 BDAERO Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000085374716 135482788 /nfs/dbraw/zinc/48/27/88/135482788.db2.gz FSCKUIAISATPNG-RYUDHWBXSA-N 1 0 233.315 1.134 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1O ZINC000091496293 135562942 /nfs/dbraw/zinc/56/29/42/135562942.db2.gz AFXKTCRLJAIKTG-GXSJLCMTSA-N 1 0 234.299 1.263 10 0 BDAERO Cc1nnc(N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000232285951 135652697 /nfs/dbraw/zinc/65/26/97/135652697.db2.gz VCKXXBIYIWWDTQ-HTQZYQBOSA-N 1 0 212.322 1.528 10 0 BDAERO CC(C)n1ccnc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000348116692 136037769 /nfs/dbraw/zinc/03/77/69/136037769.db2.gz KTWNKGJVUBWBJK-MNOVXSKESA-N 1 0 223.320 1.731 10 0 BDAERO CC(C)n1ccnc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000348116710 136037823 /nfs/dbraw/zinc/03/78/23/136037823.db2.gz KTWNKGJVUBWBJK-WDEREUQCSA-N 1 0 223.320 1.731 10 0 BDAERO CC1CCN(CC[N@@H+]2C[C@H](C)C[C@H](O)C2)CC1 ZINC000335588121 136102353 /nfs/dbraw/zinc/10/23/53/136102353.db2.gz FPLMSIUUMZUOOE-KGLIPLIRSA-N 1 0 240.391 1.421 10 0 BDAERO Cc1cccc(CC[N@@H+]2C[C@@H](C)C[C@H](O)C2)n1 ZINC000335593175 136103945 /nfs/dbraw/zinc/10/39/45/136103945.db2.gz YCBZRJCAAMKWRB-FZMZJTMJSA-N 1 0 234.343 1.635 10 0 BDAERO C[NH+](C)[C@@H]1CC[C@H](Nc2ncc(F)cn2)C1 ZINC000301943224 397792456 /nfs/dbraw/zinc/79/24/56/397792456.db2.gz YBBXNUGOYYDWMW-VHSXEESVSA-N 1 0 224.283 1.510 10 0 BDAERO CC(C)(C)c1noc([C@@H]2C[NH2+]CCOC2)n1 ZINC000644511764 397836608 /nfs/dbraw/zinc/83/66/08/397836608.db2.gz ULMGNCHSTBHUNP-MRVPVSSYSA-N 1 0 225.292 1.071 10 0 BDAERO CO[C@@H]1C[C@H](CO)[N@H+](CCOCCC(C)C)C1 ZINC000310114304 397878764 /nfs/dbraw/zinc/87/87/64/397878764.db2.gz GNBFSBFXFSDMFW-CHWSQXEVSA-N 1 0 245.363 1.131 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)c1nccs1 ZINC000390256334 397884393 /nfs/dbraw/zinc/88/43/93/397884393.db2.gz MEJDBCKYLPAVPS-QMMMGPOBSA-N 1 0 227.333 1.479 10 0 BDAERO CC[N@@H+]1CCO[C@H](c2ccnnc2)CC1 ZINC000616686340 397927313 /nfs/dbraw/zinc/92/73/13/397927313.db2.gz INFRWDRPOMHVGZ-NSHDSACASA-N 1 0 207.277 1.260 10 0 BDAERO c1ccc(Cc2ncnc3c2CC[NH2+]C3)cc1 ZINC000020442431 397965003 /nfs/dbraw/zinc/96/50/03/397965003.db2.gz HBCZWZKVYBRMPL-UHFFFAOYSA-N 1 0 225.295 1.713 10 0 BDAERO C[C@H]1C[C@H](NC2=[NH+]CCCS2)CS1 ZINC000306873479 397931529 /nfs/dbraw/zinc/93/15/29/397931529.db2.gz XRXHLPFLVSJJDB-YUMQZZPRSA-N 1 0 216.375 1.963 10 0 BDAERO C[C@@H]1CN[C@@]2(CC[C@@H](C)[NH2+]C2)SC1 ZINC000306872260 397932191 /nfs/dbraw/zinc/93/21/91/397932191.db2.gz URGHKVSREGBGJH-BBBLOLIVSA-N 1 0 200.351 1.427 10 0 BDAERO C[C@@H]([NH3+])Cc1cc(Br)nn1C ZINC000575500082 397967266 /nfs/dbraw/zinc/96/72/66/397967266.db2.gz QOSBHLUTWMOTQX-RXMQYKEDSA-N 1 0 218.098 1.072 10 0 BDAERO CCc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)nc(C)n1 ZINC000382508334 397954799 /nfs/dbraw/zinc/95/47/99/397954799.db2.gz NMCXTBDFUHOGBA-ZYHUDNBSSA-N 1 0 234.347 1.887 10 0 BDAERO CCC[C@H]1COC[C@]12[NH2+]CCCS2 ZINC000575479721 397959391 /nfs/dbraw/zinc/95/93/91/397959391.db2.gz FJHGVQBJKPHHNF-VHSXEESVSA-N 1 0 201.335 1.856 10 0 BDAERO C[N@@H+]1CCC[C@@H](c2cccc(CO)c2)C1 ZINC000259576823 397960552 /nfs/dbraw/zinc/96/05/52/397960552.db2.gz UDEMZDVRJYLWFF-CYBMUJFWSA-N 1 0 205.301 1.988 10 0 BDAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H]1CCCCO1 ZINC000382206272 397921142 /nfs/dbraw/zinc/92/11/42/397921142.db2.gz UTESNBVYURFDPT-SRVKXCTJSA-N 1 0 229.364 1.941 10 0 BDAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3ccnc32)C1 ZINC000382223721 397923913 /nfs/dbraw/zinc/92/39/13/397923913.db2.gz BIOUCTLREBPHHG-HBNTYKKESA-N 1 0 221.304 1.221 10 0 BDAERO CC(C)[N@@H+]1CCO[C@H](c2cccc(N)n2)CC1 ZINC000616686367 397926647 /nfs/dbraw/zinc/92/66/47/397926647.db2.gz ISDZVLYCCNYQRO-LBPRGKRZSA-N 1 0 235.331 1.836 10 0 BDAERO Cc1ncsc1[C@@]1([NH3+])CSC[C@H]1C ZINC000575467383 397992769 /nfs/dbraw/zinc/99/27/69/397992769.db2.gz QQMIMSMRALNLDR-HZGVNTEJSA-N 1 0 214.359 1.988 10 0 BDAERO C[NH2+][C@H](C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000054073997 398025616 /nfs/dbraw/zinc/02/56/16/398025616.db2.gz HPOJPMOLMOSMEV-MFKMUULPSA-N 1 0 232.327 1.862 10 0 BDAERO Cc1nnsc1[C@H]1N[C@@H](C)CS1 ZINC000307027870 397974742 /nfs/dbraw/zinc/97/47/42/397974742.db2.gz MGLSBQORROIABI-FFWSUHOLSA-N 1 0 201.320 1.570 10 0 BDAERO CN1CC2(CC[NH2+]CC2)c2cc(F)ccc21 ZINC000084781196 398042469 /nfs/dbraw/zinc/04/24/69/398042469.db2.gz HZUVDHQESGEISA-UHFFFAOYSA-N 1 0 220.291 1.897 10 0 BDAERO C[NH2+][C@H](C(N)=O)c1ccc(Cl)c(F)c1 ZINC000043390867 397977653 /nfs/dbraw/zinc/97/76/53/397977653.db2.gz SJOWVOZEBJUENM-QMMMGPOBSA-N 1 0 216.643 1.225 10 0 BDAERO CC[C@@H](COC)[NH2+][C@H]1CCCn2ncnc21 ZINC000122707646 398093609 /nfs/dbraw/zinc/09/36/09/398093609.db2.gz SEBXHNSOSRXREL-UWVGGRQHSA-N 1 0 224.308 1.128 10 0 BDAERO C[C@H](CC(=O)N1CC([NH3+])C1)c1ccccc1 ZINC000409423456 398084686 /nfs/dbraw/zinc/08/46/86/398084686.db2.gz OGWDBSIVAADCKB-SNVBAGLBSA-N 1 0 218.300 1.350 10 0 BDAERO [NH3+]Cc1cc(-c2ccncc2)nc(C2CC2)n1 ZINC000409437428 398088493 /nfs/dbraw/zinc/08/84/93/398088493.db2.gz GOERNDKXIBRHHW-UHFFFAOYSA-N 1 0 226.283 1.875 10 0 BDAERO C[C@@H]1C[C@H](NC(=O)C2CCC([NH3+])CC2)[C@H](C)O1 ZINC000384692349 398102304 /nfs/dbraw/zinc/10/23/04/398102304.db2.gz CTHXKONYQWHION-SGCDDIOWSA-N 1 0 240.347 1.186 10 0 BDAERO C/C=C/C[NH2+]C[C@H](O)COCCCC ZINC000384705810 398124050 /nfs/dbraw/zinc/12/40/50/398124050.db2.gz CBUJLUBRNFAZOB-TZNOJPMFSA-N 1 0 201.310 1.330 10 0 BDAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)CC(C)(C)O ZINC000389716585 398127612 /nfs/dbraw/zinc/12/76/12/398127612.db2.gz ODPMHXOUXPPGJY-MNOVXSKESA-N 1 0 215.337 1.240 10 0 BDAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)on1 ZINC000389720698 398129409 /nfs/dbraw/zinc/12/94/09/398129409.db2.gz PGPQITMHZYTSKY-ZJUUUORDSA-N 1 0 210.277 1.376 10 0 BDAERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncnc2c1CCCC2 ZINC000389721794 398129484 /nfs/dbraw/zinc/12/94/84/398129484.db2.gz HBABWPJVZOPMAQ-GXFFZTMASA-N 1 0 246.358 1.765 10 0 BDAERO Cc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)nc(C)n1 ZINC000389728374 398130050 /nfs/dbraw/zinc/13/00/50/398130050.db2.gz NEPGBZHGALZVRF-KWQFWETISA-N 1 0 220.320 1.503 10 0 BDAERO CC(C)COC(=O)N(C)C1CC[NH2+]CC1 ZINC000034626956 167021074 /nfs/dbraw/zinc/02/10/74/167021074.db2.gz KJOUWSSIQHNKRC-UHFFFAOYSA-N 1 0 214.309 1.463 10 0 BDAERO CC(C)COC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000062568579 167021912 /nfs/dbraw/zinc/02/19/12/167021912.db2.gz SLDPVEHKKWBUIN-VIFPVBQESA-N 1 0 200.282 1.073 10 0 BDAERO CC(C)COC(=O)N1CCC[C@H]([NH3+])C1 ZINC000041028705 167021654 /nfs/dbraw/zinc/02/16/54/167021654.db2.gz FLFUMAFDOMUFQR-VIFPVBQESA-N 1 0 200.282 1.202 10 0 BDAERO CC(C)NC(=O)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309671240 167062070 /nfs/dbraw/zinc/06/20/70/167062070.db2.gz JVZXZJZVVDCCNJ-QWRGUYRKSA-N 1 0 230.327 1.629 10 0 BDAERO CC(C)[NH2+]CCN1CCCO[C@H](C)C1 ZINC000061916995 167105346 /nfs/dbraw/zinc/10/53/46/167105346.db2.gz LNBIVUIHJJGQFJ-LLVKDONJSA-N 1 0 200.326 1.095 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N1C[C@@H](C)OC(C)(C)C1 ZINC000052543381 167113162 /nfs/dbraw/zinc/11/31/62/167113162.db2.gz GIFACDPRDNBKIS-NWDGAFQWSA-N 1 0 228.380 1.872 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc2nccnc2n1 ZINC000094726557 487557119 /nfs/dbraw/zinc/55/71/19/487557119.db2.gz RHGIIOKRRBKAQB-UWVGGRQHSA-N 1 0 243.314 1.564 10 0 BDAERO C[C@@H]1CN(c2ncnc3c2CCCC3)CC[C@@H]1[NH3+] ZINC000094872638 487561984 /nfs/dbraw/zinc/56/19/84/487561984.db2.gz YJKYVIWLAYFGNY-PWSUYJOCSA-N 1 0 246.358 1.529 10 0 BDAERO [NH3+]C[C@H]1CCC[C@H]1Nc1ncnc2c1CCCC2 ZINC000094872575 487562012 /nfs/dbraw/zinc/56/20/12/487562012.db2.gz ZPGOJILEVJBDGO-ZYHUDNBSSA-N 1 0 246.358 1.895 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ncnc2c1CCCC2 ZINC000094872577 487562117 /nfs/dbraw/zinc/56/21/17/487562117.db2.gz ZPGOJILEVJBDGO-CMPLNLGQSA-N 1 0 246.358 1.895 10 0 BDAERO CCCCOC[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000227889762 487562585 /nfs/dbraw/zinc/56/25/85/487562585.db2.gz RVQYMMPZJGNTNG-OLZOCXBDSA-N 1 0 245.363 1.323 10 0 BDAERO CCCCOC[C@@H](O)C[NH2+]CC[C@H]1CCCO1 ZINC000227889766 487562735 /nfs/dbraw/zinc/56/27/35/487562735.db2.gz RVQYMMPZJGNTNG-QWHCGFSZSA-N 1 0 245.363 1.323 10 0 BDAERO CC(C)(C)CCC[N@@H+]1CCOC[C@@H]1CO ZINC000300970033 487564860 /nfs/dbraw/zinc/56/48/60/487564860.db2.gz ZSPSSTIQTXMYNR-NSHDSACASA-N 1 0 215.337 1.506 10 0 BDAERO CC(C)OC(=O)[C@](C)(N)c1ccccc1 ZINC000052880804 167171455 /nfs/dbraw/zinc/17/14/55/167171455.db2.gz YEJIIDNETHSRKB-GFCCVEGCSA-N 1 0 207.273 1.812 10 0 BDAERO CC(=O)c1ccnc(N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000094997330 487568252 /nfs/dbraw/zinc/56/82/52/487568252.db2.gz UDAZUTGAZKWLOR-GFCCVEGCSA-N 1 0 233.315 1.425 10 0 BDAERO CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1nccs1 ZINC000070732429 322902597 /nfs/dbraw/zinc/90/25/97/322902597.db2.gz PDBJNJJEDKSRQO-JGVFFNPUSA-N 1 0 227.333 1.304 10 0 BDAERO CC(C)[C@H](CCO)NC(=O)C1CCC([NH3+])CC1 ZINC000225444186 487578749 /nfs/dbraw/zinc/57/87/49/487578749.db2.gz CVKUQHFJEJWBGH-MCIGGMRASA-N 1 0 242.363 1.027 10 0 BDAERO CC(C)OCCC[NH2+]CCN1CCO[C@@H](C)C1 ZINC000053343977 167219774 /nfs/dbraw/zinc/21/97/74/167219774.db2.gz JWJYYURSCSAVPB-ZDUSSCGKSA-N 1 0 244.379 1.112 10 0 BDAERO CC[C@H](C)[N@H+](CCO)C[C@H]1CCC[C@@H](O)C1 ZINC000393801579 487584615 /nfs/dbraw/zinc/58/46/15/487584615.db2.gz SQQOLMJQXUUMAC-RWMBFGLXSA-N 1 0 229.364 1.630 10 0 BDAERO CCC1(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000158802873 487586061 /nfs/dbraw/zinc/58/60/61/487586061.db2.gz PJPRCIJJQHGTSH-WDEREUQCSA-N 1 0 224.348 1.810 10 0 BDAERO CCN1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1C ZINC000393844335 487586135 /nfs/dbraw/zinc/58/61/35/487586135.db2.gz ZKNPJZHTNWMQOL-BFHYXJOUSA-N 1 0 240.391 1.564 10 0 BDAERO C(C[C@@H]1CCCO1)[NH2+]C1CCN(C2CC2)CC1 ZINC000310290848 487588668 /nfs/dbraw/zinc/58/86/68/487588668.db2.gz RMSAFADECNHAJW-AWEZNQCLSA-N 1 0 238.375 1.772 10 0 BDAERO CC1(C)C[N@@H+]([C@@H]2CCC[C@H]2O)CCCO1 ZINC000308988023 487604604 /nfs/dbraw/zinc/60/46/04/487604604.db2.gz KGBFONXLSYZEPW-GHMZBOCLSA-N 1 0 213.321 1.401 10 0 BDAERO COc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)ccn1 ZINC000306099460 487606589 /nfs/dbraw/zinc/60/65/89/487606589.db2.gz OIZXGUODPYNZPX-SNVBAGLBSA-N 1 0 249.314 1.418 10 0 BDAERO CC(C)[C@@H](C)[N@@H+]1CCCO[C@@H](CN)C1 ZINC000306300620 487607613 /nfs/dbraw/zinc/60/76/13/487607613.db2.gz HQJFQLRRLRDYEF-MNOVXSKESA-N 1 0 200.326 1.081 10 0 BDAERO [NH3+]C[C@@H]1CCCN1CCOCc1ccccc1 ZINC000306345311 487608616 /nfs/dbraw/zinc/60/86/16/487608616.db2.gz OFBVQGTXDRJQHU-AWEZNQCLSA-N 1 0 234.343 1.626 10 0 BDAERO C[C@]1(C(=O)N2CC[C@H]3C[C@H]3C2)CCCC[NH2+]1 ZINC000662702912 409852935 /nfs/dbraw/zinc/85/29/35/409852935.db2.gz DLPOLQGLIYOWLZ-GMXVVIOVSA-N 1 0 222.332 1.387 10 0 BDAERO CC(C)(C)[C@@H](O)C[NH2+]CC[C@H]1CCCO1 ZINC000308790751 409905687 /nfs/dbraw/zinc/90/56/87/409905687.db2.gz IETWSZOTACSHDZ-MNOVXSKESA-N 1 0 215.337 1.552 10 0 BDAERO Cc1noc2ncnc(N[C@@H]3CCC[NH2+]C3)c12 ZINC000071397598 409972873 /nfs/dbraw/zinc/97/28/73/409972873.db2.gz LXQKELIDNYUSLO-MRVPVSSYSA-N 1 0 233.275 1.090 10 0 BDAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](OC)CC1 ZINC000662834172 409942441 /nfs/dbraw/zinc/94/24/41/409942441.db2.gz FKQYZKOWWSTUKL-QJPTWQEYSA-N 1 0 242.363 1.387 10 0 BDAERO CN(C(=O)c1ccoc1)[C@H](C[NH3+])C(F)(F)F ZINC000662978767 410003576 /nfs/dbraw/zinc/00/35/76/410003576.db2.gz RWGAWXPJBWOZOB-SSDOTTSWSA-N 1 0 236.193 1.241 10 0 BDAERO CCCc1nccnc1N1C[C@H](C)[C@H]([NH3+])C1 ZINC000663274946 410092990 /nfs/dbraw/zinc/09/29/90/410092990.db2.gz SCEDAZIIIZRIHS-VHSXEESVSA-N 1 0 220.320 1.213 10 0 BDAERO Brc1ccnn1[C@H]1CC[NH2+]C1 ZINC000082370064 166103208 /nfs/dbraw/zinc/10/32/08/166103208.db2.gz CMFGFPGIZALQIZ-LURJTMIESA-N 1 0 216.082 1.180 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1C=CCC1 ZINC000309039305 410204978 /nfs/dbraw/zinc/20/49/78/410204978.db2.gz IQTXMPWNOJUOAA-MXWKQRLJSA-N 1 0 208.305 1.291 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC=CCC1 ZINC000309045926 410208578 /nfs/dbraw/zinc/20/85/78/410208578.db2.gz NBDADSHVSQNTFQ-MXWKQRLJSA-N 1 0 208.305 1.291 10 0 BDAERO C[C@H](C[NH3+])CNc1ccc2nccnc2n1 ZINC000087202547 487616345 /nfs/dbraw/zinc/61/63/45/487616345.db2.gz UVUDYPHKNLPSJH-MRVPVSSYSA-N 1 0 217.276 1.032 10 0 BDAERO CCN(CC)C(=O)[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038097218 169757803 /nfs/dbraw/zinc/75/78/03/169757803.db2.gz FLWFUKCLUKNFOR-RYUDHWBXSA-N 1 0 242.363 1.402 10 0 BDAERO CC[C@H](C[NH2+]Cc1cnn(C)c1C)OC ZINC000289693509 410580488 /nfs/dbraw/zinc/58/04/88/410580488.db2.gz DHGLCRCCUUOMOS-LLVKDONJSA-N 1 0 211.309 1.243 10 0 BDAERO CC(C)(C)[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000053737789 166630544 /nfs/dbraw/zinc/63/05/44/166630544.db2.gz LVAYTHHRVUIJQM-UHFFFAOYSA-N 1 0 233.377 1.732 10 0 BDAERO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)CC(F)F ZINC000655482883 410736697 /nfs/dbraw/zinc/73/66/97/410736697.db2.gz ANBIRMTVGJIOQQ-UWVGGRQHSA-N 1 0 248.317 1.784 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)C[C@H](C)O ZINC000393597662 410752729 /nfs/dbraw/zinc/75/27/29/410752729.db2.gz JTGDCYYVDNQPHP-QWRGUYRKSA-N 1 0 244.379 1.273 10 0 BDAERO C[C@H](O)CC[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000393763201 410759876 /nfs/dbraw/zinc/75/98/76/410759876.db2.gz OUICNIACRZUZJD-SRVKXCTJSA-N 1 0 215.337 1.240 10 0 BDAERO C[C@H](O)CC[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000393763202 410760603 /nfs/dbraw/zinc/76/06/03/410760603.db2.gz OUICNIACRZUZJD-TUAOUCFPSA-N 1 0 215.337 1.240 10 0 BDAERO Cc1ccc(CC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1C ZINC000393984425 410773750 /nfs/dbraw/zinc/77/37/50/410773750.db2.gz JEYHFGNRRBFUDL-GXTWGEPZSA-N 1 0 246.354 1.794 10 0 BDAERO [NH3+]C[C@H]1CN(C[C@@H]2CCCCC2(F)F)CCO1 ZINC000394511248 410805506 /nfs/dbraw/zinc/80/55/06/410805506.db2.gz ZCLFSFWYGZBVQM-QWRGUYRKSA-N 1 0 248.317 1.471 10 0 BDAERO COC[C@H](C)[NH2+][C@H](C)c1cnc(C)cn1 ZINC000393614810 410749688 /nfs/dbraw/zinc/74/96/88/410749688.db2.gz WCPUMWCXLQARKP-VHSXEESVSA-N 1 0 209.293 1.471 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)N1CCC(OCC)CC1 ZINC000040690028 410885192 /nfs/dbraw/zinc/88/51/92/410885192.db2.gz YJVYPYYINDWXTO-LLVKDONJSA-N 1 0 228.336 1.141 10 0 BDAERO Cc1cnc(C[NH2+][C@H]2CCC[C@@H](O)C2)s1 ZINC000394728098 410819730 /nfs/dbraw/zinc/81/97/30/410819730.db2.gz LKQRXQNKGXYQQH-VHSXEESVSA-N 1 0 226.345 1.845 10 0 BDAERO C[C@H]1NCCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000396697810 410896440 /nfs/dbraw/zinc/89/64/40/410896440.db2.gz KBRHXJGHVSNFOY-BXKDBHETSA-N 1 0 208.349 1.905 10 0 BDAERO C[C@@H]1NCCC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000396697811 410897258 /nfs/dbraw/zinc/89/72/58/410897258.db2.gz KBRHXJGHVSNFOY-CABZTGNLSA-N 1 0 208.349 1.905 10 0 BDAERO CC(C)C[NH2+]C1(C(=O)[O-])CC[NH+](C(C)C)CC1 ZINC000037965302 167002412 /nfs/dbraw/zinc/00/24/12/167002412.db2.gz JFCPJHIMNRRYRI-UHFFFAOYSA-N 1 0 242.363 1.560 10 0 BDAERO CC(C)C[NH2+]C[C@@H]1CCCN1c1cnccn1 ZINC000053697166 167006109 /nfs/dbraw/zinc/00/61/09/167006109.db2.gz SYZTZGZKWVTJOW-LBPRGKRZSA-N 1 0 234.347 1.691 10 0 BDAERO CC(C)C[NH2+]C[C@H](C)CN1CCOC(C)(C)C1 ZINC000052481767 167006787 /nfs/dbraw/zinc/00/67/87/167006787.db2.gz VAXHHVJDRADTNO-ZDUSSCGKSA-N 1 0 242.407 1.979 10 0 BDAERO CC(C)C[NH2+]Cc1ccc(C(N)=O)cc1F ZINC000020036923 167008739 /nfs/dbraw/zinc/00/87/39/167008739.db2.gz BCSULQYOJBGQBR-UHFFFAOYSA-N 1 0 224.279 1.670 10 0 BDAERO CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCO ZINC000058419321 167030010 /nfs/dbraw/zinc/03/00/10/167030010.db2.gz IWXASOKMHOOQCM-FUNVUKJBSA-N 1 0 226.364 1.077 10 0 BDAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCCO2)C1 ZINC000335351385 167032729 /nfs/dbraw/zinc/03/27/29/167032729.db2.gz OAPYFDBFALPVRU-WDEREUQCSA-N 1 0 241.335 1.062 10 0 BDAERO CC(C)NC(=O)COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798821 167062285 /nfs/dbraw/zinc/06/22/85/167062285.db2.gz BVRMMACMDALMPY-GFCCVEGCSA-N 1 0 248.326 1.536 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCc1csc(C)n1 ZINC000041011360 410900995 /nfs/dbraw/zinc/90/09/95/410900995.db2.gz REGLEYQIUHJOCB-VIFPVBQESA-N 1 0 227.333 1.195 10 0 BDAERO CC(C)NC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000051359134 167070367 /nfs/dbraw/zinc/07/03/67/167070367.db2.gz JFVXMCDKEXGKDZ-GHMZBOCLSA-N 1 0 225.336 1.321 10 0 BDAERO CC(C)NC(=O)NC[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000051573946 167073055 /nfs/dbraw/zinc/07/30/55/167073055.db2.gz VFNQPVVKIANMIN-UWVGGRQHSA-N 1 0 213.325 1.225 10 0 BDAERO CC(C)[NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000037815452 167098498 /nfs/dbraw/zinc/09/84/98/167098498.db2.gz ZYJMDLHORAZKKM-NWDGAFQWSA-N 1 0 240.347 1.154 10 0 BDAERO CC(C)[NH2+]CCC(=O)N[C@H](C)c1cccnc1 ZINC000037618311 167100843 /nfs/dbraw/zinc/10/08/43/167100843.db2.gz WDMMICINWYVWHH-LLVKDONJSA-N 1 0 235.331 1.647 10 0 BDAERO CC(C)[NH2+]CCN1CCCC[C@H](CO)C1 ZINC000309006053 167105077 /nfs/dbraw/zinc/10/50/77/167105077.db2.gz PVHISKPYFJUQBZ-LBPRGKRZSA-N 1 0 214.353 1.079 10 0 BDAERO CC(C)[NH2+]C[C@H](C)N1CCCO[C@H](C)C1 ZINC000061935566 167113112 /nfs/dbraw/zinc/11/31/12/167113112.db2.gz FTINPIRRLXBJQF-NWDGAFQWSA-N 1 0 214.353 1.484 10 0 BDAERO CC(C)[NH2+]C[C@H]1CCCCN1Cc1ncon1 ZINC000104415999 167115000 /nfs/dbraw/zinc/11/50/00/167115000.db2.gz QHRZQMVXOGBEPV-LLVKDONJSA-N 1 0 238.335 1.422 10 0 BDAERO CC(C)[NH2+]C[C@H](O)COc1cccc(O)c1 ZINC000026973068 167115174 /nfs/dbraw/zinc/11/51/74/167115174.db2.gz YFYAFDUVTDKBDS-NSHDSACASA-N 1 0 225.288 1.130 10 0 BDAERO CC(C)[NH2+]Cc1cccc(O[C@H](C)C(N)=O)c1 ZINC000034816512 167119331 /nfs/dbraw/zinc/11/93/31/167119331.db2.gz JSKNOBIFCZPXLX-SNVBAGLBSA-N 1 0 236.315 1.437 10 0 BDAERO CC(C)[NH2+]Cc1ccc(-n2ccnc2)nn1 ZINC000051490140 167119649 /nfs/dbraw/zinc/11/96/49/167119649.db2.gz ICBFFQNMZITGFZ-UHFFFAOYSA-N 1 0 217.276 1.160 10 0 BDAERO CC(C)[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000102668003 167135504 /nfs/dbraw/zinc/13/55/04/167135504.db2.gz HQDSBADMXHAPAR-SNVBAGLBSA-N 1 0 224.304 1.055 10 0 BDAERO CC(C)[NH2+][C@]1(CO)CCc2ccccc21 ZINC000038115563 167141914 /nfs/dbraw/zinc/14/19/14/167141914.db2.gz GHEMZINFHDTCPR-ZDUSSCGKSA-N 1 0 205.301 1.818 10 0 BDAERO CC(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044240702 167164288 /nfs/dbraw/zinc/16/42/88/167164288.db2.gz QCTVCHOZASYRIL-ULKQDVFKSA-N 1 0 212.293 1.404 10 0 BDAERO CC(C)OCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236791464 167201510 /nfs/dbraw/zinc/20/15/10/167201510.db2.gz ODYCVWXHFXJABA-MNOVXSKESA-N 1 0 228.336 1.045 10 0 BDAERO CC(C)OCCOC[C@@H](O)C[NH2+][C@@H](C)C1CC1 ZINC000037889468 167247966 /nfs/dbraw/zinc/24/79/66/167247966.db2.gz GEHRBNGHOFQTJG-AAEUAGOBSA-N 1 0 245.363 1.177 10 0 BDAERO CC(C)Oc1cc2c(cc1CC[NH3+])OCO2 ZINC000042877460 167289106 /nfs/dbraw/zinc/28/91/06/167289106.db2.gz KUXOTIKLQSZWFT-UHFFFAOYSA-N 1 0 223.272 1.704 10 0 BDAERO CC(C)Oc1ccc([C@H]([NH2+]C2CC2)C(N)=O)cc1 ZINC000037895058 167301323 /nfs/dbraw/zinc/30/13/23/167301323.db2.gz OJKJTVHFMQIELI-ZDUSSCGKSA-N 1 0 248.326 1.752 10 0 BDAERO CC(C)Oc1cccc(C(=O)N2CC([NH3+])C2)c1 ZINC000104313919 167304477 /nfs/dbraw/zinc/30/44/77/167304477.db2.gz CRSHWKUCRLNKQZ-UHFFFAOYSA-N 1 0 234.299 1.257 10 0 BDAERO CC(C)Oc1nccc(OC2CC2)c1C[NH3+] ZINC000095737882 167313565 /nfs/dbraw/zinc/31/35/65/167313565.db2.gz QBBDYHVLMLFKCA-UHFFFAOYSA-N 1 0 222.288 1.869 10 0 BDAERO CC(C)Oc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040795850 167315781 /nfs/dbraw/zinc/31/57/81/167315781.db2.gz MRCAEJJYEDRHKQ-UHFFFAOYSA-N 1 0 239.323 1.561 10 0 BDAERO CC(C)[C@@H](C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000236659473 167358983 /nfs/dbraw/zinc/35/89/83/167358983.db2.gz DAGXJMMXFWAVGK-GXSJLCMTSA-N 1 0 212.337 1.522 10 0 BDAERO CC(C)[C@@H](C)N(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062890912 167365805 /nfs/dbraw/zinc/36/58/05/167365805.db2.gz NLGPQNXBOFSOLN-PWSUYJOCSA-N 1 0 212.337 1.489 10 0 BDAERO CC(C)[C@@H](C)NC(=O)NCC1CC[NH+](C)CC1 ZINC000105075879 167374564 /nfs/dbraw/zinc/37/45/64/167374564.db2.gz VFUFBUOOTVRLGW-LLVKDONJSA-N 1 0 241.379 1.672 10 0 BDAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000285464953 167385432 /nfs/dbraw/zinc/38/54/32/167385432.db2.gz ALQFXQRWSFKZSJ-RKDXNWHRSA-N 1 0 209.293 1.465 10 0 BDAERO CC(C)[C@@H](C[NH3+])CC(=O)NCc1cccnc1 ZINC000076618186 167396929 /nfs/dbraw/zinc/39/69/29/167396929.db2.gz FGFGUUDQCCDNAR-GFCCVEGCSA-N 1 0 235.331 1.319 10 0 BDAERO CC(C)[C@@H](C[NH3+])c1nc2cc[nH]cc-2n1 ZINC000082928488 167397568 /nfs/dbraw/zinc/39/75/68/167397568.db2.gz LUYRMMAMCKPTOL-MRVPVSSYSA-N 1 0 204.277 1.656 10 0 BDAERO CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccncc1 ZINC000036136573 167412568 /nfs/dbraw/zinc/41/25/68/167412568.db2.gz INBNORQPVPNTKI-QWHCGFSZSA-N 1 0 247.342 1.728 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397797349 410932809 /nfs/dbraw/zinc/93/28/09/410932809.db2.gz DFHYFMBJCYXFGY-HHHUOAJASA-N 1 0 222.332 1.276 10 0 BDAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000104384674 410934387 /nfs/dbraw/zinc/93/43/87/410934387.db2.gz JFFYWQDTILSOGA-CYZMBNFOSA-N 1 0 248.326 1.241 10 0 BDAERO CCO[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000042424839 411004206 /nfs/dbraw/zinc/00/42/06/411004206.db2.gz DUZHHVLICJHSPL-NWDGAFQWSA-N 1 0 240.347 1.014 10 0 BDAERO CC(C)[NH2+]CCC(=O)N(C)C[C@H]1CCCO1 ZINC000042465932 411006027 /nfs/dbraw/zinc/00/60/27/411006027.db2.gz IQRSWQZTTPWGPL-LLVKDONJSA-N 1 0 228.336 1.012 10 0 BDAERO Cc1cc(C(C)C)nc(NCCC[NH3+])n1 ZINC000107207267 411132812 /nfs/dbraw/zinc/13/28/12/411132812.db2.gz IOPIGHRRESHLCU-UHFFFAOYSA-N 1 0 208.309 1.669 10 0 BDAERO [NH3+]CCCNc1nc2cccc(F)c2o1 ZINC000107207819 411132827 /nfs/dbraw/zinc/13/28/27/411132827.db2.gz CPKKGTKXVHGINX-UHFFFAOYSA-N 1 0 209.224 1.728 10 0 BDAERO CCN1CCO[C@@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000302407129 411137209 /nfs/dbraw/zinc/13/72/09/411137209.db2.gz KLLNMIVZWOWJGP-NEPJUHHUSA-N 1 0 244.379 1.110 10 0 BDAERO CC[C@H](NC(=O)C1(OC)CC[NH2+]CC1)C(C)C ZINC000302549289 411138262 /nfs/dbraw/zinc/13/82/62/411138262.db2.gz JSNPQUCSUODHLI-NSHDSACASA-N 1 0 242.363 1.306 10 0 BDAERO Cc1cnc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@H]2C)o1 ZINC000300713244 411125449 /nfs/dbraw/zinc/12/54/49/411125449.db2.gz WICFEQQPIBBMAD-GUBZILKMSA-N 1 0 237.303 1.158 10 0 BDAERO CC(C)N1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000310554744 411242584 /nfs/dbraw/zinc/24/25/84/411242584.db2.gz XVLDWYFGYJRZQI-ZIAGYGMSSA-N 1 0 240.391 1.564 10 0 BDAERO C[C@@H]1CC[NH2+][C@H](C(=O)NCC[C@@H]2CCCO2)C1 ZINC000126807456 411183649 /nfs/dbraw/zinc/18/36/49/411183649.db2.gz ZVRWVNBVTLEHER-WOPDTQHZSA-N 1 0 240.347 1.060 10 0 BDAERO COCC1(CC(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000401314485 411191188 /nfs/dbraw/zinc/19/11/88/411191188.db2.gz ZASRUPOWMMQLLG-WDEREUQCSA-N 1 0 240.347 1.060 10 0 BDAERO CC[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000128964811 411193587 /nfs/dbraw/zinc/19/35/87/411193587.db2.gz NZHPUHLCCXDOCN-WDEREUQCSA-N 1 0 212.337 1.761 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1ccco1 ZINC000061883523 411194417 /nfs/dbraw/zinc/19/44/17/411194417.db2.gz ONGQXYUMXRMEPV-JQWIXIFHSA-N 1 0 236.315 1.456 10 0 BDAERO CC(C)n1cnnc1[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070502049 167783193 /nfs/dbraw/zinc/78/31/93/167783193.db2.gz FZWQXVMJUZEXRO-NXEZZACHSA-N 1 0 208.309 1.844 10 0 BDAERO Cc1ccc(CNC(=O)C[C@H]([NH3+])C(C)C)o1 ZINC000129036317 411211456 /nfs/dbraw/zinc/21/14/56/411211456.db2.gz JJGCNKXQIAAHJC-NSHDSACASA-N 1 0 224.304 1.578 10 0 BDAERO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCNC1=O ZINC000658052463 411219417 /nfs/dbraw/zinc/21/94/17/411219417.db2.gz LCBCALWSSZVZQI-GXSJLCMTSA-N 1 0 210.321 1.433 10 0 BDAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000658052441 411219917 /nfs/dbraw/zinc/21/99/17/411219917.db2.gz KSWJDFUJFGLMHG-GRYCIOLGSA-N 1 0 224.348 1.679 10 0 BDAERO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCNC2=O)cc1 ZINC000658052394 411220002 /nfs/dbraw/zinc/22/00/02/411220002.db2.gz DIEMPYWGKGWADL-GXFFZTMASA-N 1 0 248.326 1.104 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1O ZINC000129084781 411220292 /nfs/dbraw/zinc/22/02/92/411220292.db2.gz HJQKHJCZYHKSJX-VIFPVBQESA-N 1 0 222.288 1.704 10 0 BDAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC000658057030 411222319 /nfs/dbraw/zinc/22/23/19/411222319.db2.gz ZRERJIZKIZPYOF-RKDXNWHRSA-N 1 0 224.329 1.596 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1ccco1 ZINC000128846584 411247354 /nfs/dbraw/zinc/24/73/54/411247354.db2.gz RNEJZOVKKTXCGR-JTQLQIEISA-N 1 0 210.277 1.269 10 0 BDAERO CC(C)[C@H]([NH3+])CC(=O)NC[C@]1(C)CCCO1 ZINC000129137279 411232641 /nfs/dbraw/zinc/23/26/41/411232641.db2.gz RJKAPCSSVOMUQM-PWSUYJOCSA-N 1 0 228.336 1.045 10 0 BDAERO Cc1nccnc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310314904 411232843 /nfs/dbraw/zinc/23/28/43/411232843.db2.gz FNBGCBUWICWGGD-AAEUAGOBSA-N 1 0 232.331 1.350 10 0 BDAERO COc1ccc(CN2CC[C@H]([NH3+])[C@H]2C)c(F)c1 ZINC000310289933 411232995 /nfs/dbraw/zinc/23/29/95/411232995.db2.gz NITCVDKNLQOHFI-RNCFNFMXSA-N 1 0 238.306 1.756 10 0 BDAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cc(N)n[nH]1 ZINC000616656318 411240180 /nfs/dbraw/zinc/24/01/80/411240180.db2.gz SCHFPFGFZUMYMT-SNVBAGLBSA-N 1 0 238.335 1.554 10 0 BDAERO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000310533856 411241436 /nfs/dbraw/zinc/24/14/36/411241436.db2.gz QNFXCNIFGJAOMQ-MJBXVCDLSA-N 1 0 240.391 1.564 10 0 BDAERO Clc1cccnc1NCC[NH2+]C1CC1 ZINC000054267806 411263536 /nfs/dbraw/zinc/26/35/36/411263536.db2.gz YWRUMWZFCVBBIG-UHFFFAOYSA-N 1 0 211.696 1.899 10 0 BDAERO Cc1cc(C)cc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000656683302 411327097 /nfs/dbraw/zinc/32/70/97/411327097.db2.gz GTDJSNREBGYLDC-GFCCVEGCSA-N 1 0 218.300 1.282 10 0 BDAERO [NH3+]C[C@H]1CC[C@H](Nc2ncnc3c2CCCC3)C1 ZINC000382451864 411290238 /nfs/dbraw/zinc/29/02/38/411290238.db2.gz GDHHEPJDBCNZSK-QWRGUYRKSA-N 1 0 246.358 1.895 10 0 BDAERO [NH3+]C[C@@H]1CC[C@H](Nc2ncnc3c2CCCC3)C1 ZINC000382451863 411290374 /nfs/dbraw/zinc/29/03/74/411290374.db2.gz GDHHEPJDBCNZSK-MNOVXSKESA-N 1 0 246.358 1.895 10 0 BDAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000310928004 411291559 /nfs/dbraw/zinc/29/15/59/411291559.db2.gz LAMXTGJLSCEJEK-SKDRFNHKSA-N 1 0 243.310 1.730 10 0 BDAERO C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1cc(F)ccc1F ZINC000054338339 411296523 /nfs/dbraw/zinc/29/65/23/411296523.db2.gz OPKUKOHUGJNKAT-JGVFFNPUSA-N 1 0 242.269 1.737 10 0 BDAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(F)cn1 ZINC000658355508 411298422 /nfs/dbraw/zinc/29/84/22/411298422.db2.gz IFWDYDOSCPARCM-SILCLGDVSA-N 1 0 224.279 1.642 10 0 BDAERO CCc1cc(N2CCC[C@H]2CO)cc[nH+]1 ZINC000307798316 411300474 /nfs/dbraw/zinc/30/04/74/411300474.db2.gz ZFLJNZVDMRHCNX-LBPRGKRZSA-N 1 0 206.289 1.605 10 0 BDAERO COCCC[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658356900 411303372 /nfs/dbraw/zinc/30/33/72/411303372.db2.gz QABOALFBPOGQCJ-KPPDAEKUSA-N 1 0 201.310 1.162 10 0 BDAERO CCOc1cncc(N(C)CC(C)(C)[NH3+])n1 ZINC000656609298 411307419 /nfs/dbraw/zinc/30/74/19/411307419.db2.gz XNVVPPYEXNSCPA-UHFFFAOYSA-N 1 0 224.308 1.049 10 0 BDAERO CCc1cc(N(C)CC(C)(C)[NH3+])nc(C)n1 ZINC000656609000 411307538 /nfs/dbraw/zinc/30/75/38/411307538.db2.gz SCIXNYGVQAKNER-UHFFFAOYSA-N 1 0 222.336 1.521 10 0 BDAERO Cc1noc2ncnc(N(C)CC(C)(C)[NH3+])c12 ZINC000656609579 411308594 /nfs/dbraw/zinc/30/85/94/411308594.db2.gz QTEIRERTVQBAQK-UHFFFAOYSA-N 1 0 235.291 1.100 10 0 BDAERO [NH3+]C1(CNc2ncnc3[nH]ccc32)CCCC1 ZINC000656610738 411308651 /nfs/dbraw/zinc/30/86/51/411308651.db2.gz QRONMVNHUVCXKY-UHFFFAOYSA-N 1 0 231.303 1.641 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccoc1 ZINC000658241472 411309062 /nfs/dbraw/zinc/30/90/62/411309062.db2.gz DOYHCWRZSFCPAD-UWVGGRQHSA-N 1 0 222.288 1.409 10 0 BDAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658240427 411309640 /nfs/dbraw/zinc/30/96/40/411309640.db2.gz AJDZOXJXSJLDOC-UTUOFQBUSA-N 1 0 238.375 1.879 10 0 BDAERO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)C1CC1 ZINC000658242835 411310515 /nfs/dbraw/zinc/31/05/15/411310515.db2.gz LINGDQPJUKFVSG-KOLCDFICSA-N 1 0 210.321 1.243 10 0 BDAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccsc1 ZINC000658243821 411310707 /nfs/dbraw/zinc/31/07/07/411310707.db2.gz HKFQBULIBHJISI-NXEZZACHSA-N 1 0 238.356 1.877 10 0 BDAERO CC[NH2+]CCCNc1nnc(C(F)F)s1 ZINC000309054210 411314915 /nfs/dbraw/zinc/31/49/15/411314915.db2.gz RTQZVXXOAHNLEM-UHFFFAOYSA-N 1 0 236.291 1.887 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000656702117 411326597 /nfs/dbraw/zinc/32/65/97/411326597.db2.gz LPWBTDKHPDJALL-NWDGAFQWSA-N 1 0 242.407 1.856 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000656702119 411326736 /nfs/dbraw/zinc/32/67/36/411326736.db2.gz LPWBTDKHPDJALL-VXGBXAGGSA-N 1 0 242.407 1.856 10 0 BDAERO COc1ccc(C[C@@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658350975 411352681 /nfs/dbraw/zinc/35/26/81/411352681.db2.gz IZHAWXVYHMSXEE-LMWSTFAQSA-N 1 0 249.354 1.987 10 0 BDAERO C[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)c2nccn21 ZINC000658352991 411356740 /nfs/dbraw/zinc/35/67/40/411356740.db2.gz JCOPBWMLHJZXHD-IDWGSYCQSA-N 1 0 221.304 1.249 10 0 BDAERO CC1(C)CN(Cc2ccccn2)C[C@@H](C[NH3+])O1 ZINC000011632419 167960489 /nfs/dbraw/zinc/96/04/89/167960489.db2.gz RJCWQSHSUWCRJD-GFCCVEGCSA-N 1 0 235.331 1.020 10 0 BDAERO C[NH2+][C@@H](C)CNc1ccc2nccnc2n1 ZINC000304299933 411358163 /nfs/dbraw/zinc/35/81/63/411358163.db2.gz OUVZHRAEZJIYCA-QMMMGPOBSA-N 1 0 217.276 1.045 10 0 BDAERO Cc1ccnc(N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000069727481 411359351 /nfs/dbraw/zinc/35/93/51/411359351.db2.gz BVRFJCWBEJCNGI-RYUDHWBXSA-N 1 0 219.332 1.954 10 0 BDAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403856693 411363255 /nfs/dbraw/zinc/36/32/55/411363255.db2.gz YDFSNKZYDZLBKF-GRYCIOLGSA-N 1 0 240.347 1.012 10 0 BDAERO CC1(C)COCCN1CC[NH2+]CC1CCCC1 ZINC000053444579 167970252 /nfs/dbraw/zinc/97/02/52/167970252.db2.gz KBCNYRFPBKXNIR-UHFFFAOYSA-N 1 0 240.391 1.877 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)C[C@]1(C)CO ZINC000662144739 411366735 /nfs/dbraw/zinc/36/67/35/411366735.db2.gz UOFLVKHOZLWUAO-YIYPIFLZSA-N 1 0 241.375 1.488 10 0 BDAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC(C)(C)F ZINC000659358276 411374269 /nfs/dbraw/zinc/37/42/69/411374269.db2.gz HYQZVOLUIQZMGL-NXEZZACHSA-N 1 0 230.327 1.629 10 0 BDAERO CC1(C)[C@H]([NH2+]CCN2CCC2)[C@@H]2CCO[C@@H]21 ZINC000336746518 168014377 /nfs/dbraw/zinc/01/43/77/168014377.db2.gz RKJXNLVQKKASJW-TUAOUCFPSA-N 1 0 224.348 1.095 10 0 BDAERO CC1(C[N@@H+]2CCN3CCC[C@H]3C2)CCC1 ZINC000300361594 168026857 /nfs/dbraw/zinc/02/68/57/168026857.db2.gz BGFJNIJKKVKWHU-LBPRGKRZSA-N 1 0 208.349 1.957 10 0 BDAERO CC1(NC(=O)C2([NH3+])CCCC2)CCCC1 ZINC000042188069 168055379 /nfs/dbraw/zinc/05/53/79/168055379.db2.gz YXHHRYPMAPCTMR-UHFFFAOYSA-N 1 0 210.321 1.707 10 0 BDAERO CC(C)(F)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000659361889 411377299 /nfs/dbraw/zinc/37/72/99/411377299.db2.gz SCHQLGFZQOKZNB-ZJUUUORDSA-N 1 0 230.327 1.616 10 0 BDAERO CC1CCC(N(C)c2ccc(C[NH3+])nn2)CC1 ZINC000051398085 168159221 /nfs/dbraw/zinc/15/92/21/168159221.db2.gz QQLGZDSCWCGZPD-UHFFFAOYSA-N 1 0 234.347 1.950 10 0 BDAERO CC1CCC([NH2+]CC(=O)N(C)C2CC2)CC1 ZINC000049304525 168162553 /nfs/dbraw/zinc/16/25/53/168162553.db2.gz QFEJQGRFRHRSEO-UHFFFAOYSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@H](C[NH3+])CCC(=O)N1CCC(C)CC1 ZINC000076585678 168170638 /nfs/dbraw/zinc/17/06/38/168170638.db2.gz PBBZTOFXPFOEMJ-NSHDSACASA-N 1 0 212.337 1.620 10 0 BDAERO CC1CCN([C@H](C[NH3+])c2ccccn2)CC1 ZINC000019398473 168188092 /nfs/dbraw/zinc/18/80/92/168188092.db2.gz AIAGOMVDVFDSBU-CYBMUJFWSA-N 1 0 219.332 1.813 10 0 BDAERO CCC(=O)CC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000190215106 168201861 /nfs/dbraw/zinc/20/18/61/168201861.db2.gz GLNYGRNVJDFKDN-ZDUSSCGKSA-N 1 0 235.331 1.926 10 0 BDAERO CCC(=O)N(CCC[NH3+])c1ccccc1 ZINC000020232262 168213277 /nfs/dbraw/zinc/21/32/77/168213277.db2.gz QGDBITYGADFPAN-UHFFFAOYSA-N 1 0 206.289 1.778 10 0 BDAERO O=C(NC[C@@H]1CC[NH2+]C1)C1CCC2(CC2)CC1 ZINC000659303444 411390588 /nfs/dbraw/zinc/39/05/88/411390588.db2.gz HNMLHVCYHFBRKA-LLVKDONJSA-N 1 0 236.359 1.683 10 0 BDAERO CCC(=O)N[C@H](C)c1ccc(C[NH3+])cc1 ZINC000037747632 168239077 /nfs/dbraw/zinc/23/90/77/168239077.db2.gz CWOJHSWVHASJRT-SECBINFHSA-N 1 0 206.289 1.733 10 0 BDAERO CCC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH3+])c1C ZINC000037044753 168246156 /nfs/dbraw/zinc/24/61/56/168246156.db2.gz NEVLUWXRNKZVKV-SECBINFHSA-N 1 0 249.314 1.629 10 0 BDAERO CCC(=O)c1c(O)cccc1OCC[NH+](C)C ZINC000095562634 168254709 /nfs/dbraw/zinc/25/47/09/168254709.db2.gz RZTIOTVTQVFOEY-UHFFFAOYSA-N 1 0 237.299 1.925 10 0 BDAERO CCC(C)(C)NC(=O)[C@H](C)OC[C@H]1CC[NH2+]C1 ZINC000051888235 168295138 /nfs/dbraw/zinc/29/51/38/168295138.db2.gz ZBCUIHHTBQNMRD-QWRGUYRKSA-N 1 0 242.363 1.306 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]([NH3+])CC(C)C ZINC000019429799 168295559 /nfs/dbraw/zinc/29/55/59/168295559.db2.gz GNZZUQXQWIKZJY-SECBINFHSA-N 1 0 200.326 1.665 10 0 BDAERO CCC(C)(C)NC(=O)[C@H]([NH3+])C(C)(C)C ZINC000077558514 168295751 /nfs/dbraw/zinc/29/57/51/168295751.db2.gz RJHCTDJDKBGBJG-QMMMGPOBSA-N 1 0 200.326 1.665 10 0 BDAERO CCC(C)(C)[NH2+]CC(=O)NCC(C)C ZINC000020035933 168297723 /nfs/dbraw/zinc/29/77/23/168297723.db2.gz MWTGGPCVTUWFJK-UHFFFAOYSA-N 1 0 200.326 1.537 10 0 BDAERO CCC(C)(C)[NH2+]CC(=O)N(C)C(C)C ZINC000020036108 168297786 /nfs/dbraw/zinc/29/77/86/168297786.db2.gz ILBHEMVNFYZDCG-UHFFFAOYSA-N 1 0 200.326 1.631 10 0 BDAERO CC(C)[C@@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000069633531 411458257 /nfs/dbraw/zinc/45/82/57/411458257.db2.gz FXKFTSZPXBSMEN-SECBINFHSA-N 1 0 200.326 1.665 10 0 BDAERO Cc1nc(C[NH2+][C@H](C)[C@H]2CCCO2)[nH]c1C ZINC000657310044 411458919 /nfs/dbraw/zinc/45/89/19/411458919.db2.gz VXOFIHQDSJYJIF-GHMZBOCLSA-N 1 0 223.320 1.684 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000659312819 411393097 /nfs/dbraw/zinc/39/30/97/411393097.db2.gz ITWZXHACLOTLJV-PZWNZHSQSA-N 1 0 222.332 1.371 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC2=CCCC2)C1 ZINC000659379953 411394541 /nfs/dbraw/zinc/39/45/41/411394541.db2.gz TWPBOZDLQUCFBZ-WDEREUQCSA-N 1 0 208.305 1.340 10 0 BDAERO CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000659381687 411397584 /nfs/dbraw/zinc/39/75/84/411397584.db2.gz DPWPGNBLZSNMQD-CBZUXLNKSA-N 1 0 236.359 1.903 10 0 BDAERO CC[C@@H](C)CCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000659341530 411400255 /nfs/dbraw/zinc/40/02/55/411400255.db2.gz XQMMEEHDINMVDA-DGCLKSJQSA-N 1 0 242.363 1.307 10 0 BDAERO CC(C)(F)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000659358262 411402067 /nfs/dbraw/zinc/40/20/67/411402067.db2.gz HIGFCGDOXQBAOT-LLVKDONJSA-N 1 0 216.300 1.383 10 0 BDAERO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000659361317 411403039 /nfs/dbraw/zinc/40/30/39/411403039.db2.gz OCSVTCRQHCLLOF-SJHCENCUSA-N 1 0 236.359 1.666 10 0 BDAERO C[N@@H+]1CCOCC[C@@H]1c1ccnc(N)c1 ZINC000616656642 411412894 /nfs/dbraw/zinc/41/28/94/411412894.db2.gz WPSFJCMKJKUCBW-SNVBAGLBSA-N 1 0 207.277 1.057 10 0 BDAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cc[nH]n2)CC1 ZINC000616687277 411415073 /nfs/dbraw/zinc/41/50/73/411415073.db2.gz RQPJLCGLGQMPQE-NSHDSACASA-N 1 0 223.320 1.972 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC(F)(F)C1 ZINC000405059336 411415488 /nfs/dbraw/zinc/41/54/88/411415488.db2.gz PQMFVEAGGRNHPT-RKDXNWHRSA-N 1 0 232.274 1.100 10 0 BDAERO CCO[C@@H]1CN(c2ncccc2F)C[C@H]1C[NH3+] ZINC000405545916 411434505 /nfs/dbraw/zinc/43/45/05/411434505.db2.gz WEBIRZARWBNQRH-MWLCHTKSSA-N 1 0 239.294 1.021 10 0 BDAERO CC[C@@H]1CN(c2ncc(C)cn2)CC[C@@H]1[NH3+] ZINC000122922901 411437005 /nfs/dbraw/zinc/43/70/05/411437005.db2.gz UONYVHREWTZEMF-MNOVXSKESA-N 1 0 220.320 1.349 10 0 BDAERO CC[C@@H]1CN(c2nc(C)ns2)CC[C@@H]1[NH3+] ZINC000123052260 411437301 /nfs/dbraw/zinc/43/73/01/411437301.db2.gz AJRNCTYKHHDGMM-BDAKNGLRSA-N 1 0 226.349 1.410 10 0 BDAERO c1snnc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000306612897 411454139 /nfs/dbraw/zinc/45/41/39/411454139.db2.gz NFRZXOWVSQXYBG-FXBDTBDDSA-N 1 0 209.318 1.816 10 0 BDAERO C[C@@H](COCc1ccccc1)[NH2+]CCC(N)=O ZINC000307274164 411469868 /nfs/dbraw/zinc/46/98/68/411469868.db2.gz MGVFEWNEAXHCGU-NSHDSACASA-N 1 0 236.315 1.057 10 0 BDAERO CCN(Cc1ccncc1)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104207882 169924214 /nfs/dbraw/zinc/92/42/14/169924214.db2.gz BHGFKWHBWDTXBT-WCQYABFASA-N 1 0 247.342 1.286 10 0 BDAERO Cc1cnn(CC[NH2+]Cc2nc(C)c[nH]2)c1 ZINC000657353549 411473832 /nfs/dbraw/zinc/47/38/32/411473832.db2.gz RKIOHEJXBDCTHQ-UHFFFAOYSA-N 1 0 219.292 1.013 10 0 BDAERO CC(C)[C@H](C)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407222159 411474454 /nfs/dbraw/zinc/47/44/54/411474454.db2.gz MXGQLCLANDSKEE-ZMLRMANQSA-N 1 0 224.348 1.678 10 0 BDAERO CCC[C@H]([NH3+])C(=O)NCc1ccc(C)o1 ZINC000053038651 411475155 /nfs/dbraw/zinc/47/51/55/411475155.db2.gz XQFVDEGSGHLKRW-JTQLQIEISA-N 1 0 210.277 1.332 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C1CC1 ZINC000407286143 411476581 /nfs/dbraw/zinc/47/65/81/411476581.db2.gz WDZKELNKGYAGBM-UWJYBYFXSA-N 1 0 222.332 1.432 10 0 BDAERO CCN(c1ccc(F)cc1)[C@]1(C[NH3+])CCOC1 ZINC000104073274 169942541 /nfs/dbraw/zinc/94/25/41/169942541.db2.gz SENKKWDSRPDKHE-ZDUSSCGKSA-N 1 0 238.306 1.770 10 0 BDAERO Cc1nc(C[NH2+]C[C@H]2CCCC[C@H]2O)[nH]c1C ZINC000657372975 411486266 /nfs/dbraw/zinc/48/62/66/411486266.db2.gz MYUNZPQWEOBNGA-VXGBXAGGSA-N 1 0 237.347 1.667 10 0 BDAERO COc1cccnc1N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000127497254 411492274 /nfs/dbraw/zinc/49/22/74/411492274.db2.gz MRSCMVSLXGKLCE-MNOVXSKESA-N 1 0 235.331 1.654 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[C@@H]2C ZINC000229217422 411497705 /nfs/dbraw/zinc/49/77/05/411497705.db2.gz LDCLTTVXTQAGSG-JBLDHEPKSA-N 1 0 211.305 1.575 10 0 BDAERO OCC[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000659953632 411509175 /nfs/dbraw/zinc/50/91/75/411509175.db2.gz RBIFMYQKWCODLR-VHSXEESVSA-N 1 0 235.274 1.115 10 0 BDAERO CCOC[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000659982882 411517679 /nfs/dbraw/zinc/51/76/79/411517679.db2.gz ZAESGDWPMDXWAM-QJPTWQEYSA-N 1 0 213.321 1.258 10 0 BDAERO COC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000659989045 411521676 /nfs/dbraw/zinc/52/16/76/411521676.db2.gz AKCGKPOHZCOBOP-FRRDWIJNSA-N 1 0 227.348 1.648 10 0 BDAERO CC[N@@H+]1CCN[C@H](c2ccccc2F)C1 ZINC000034155289 170000929 /nfs/dbraw/zinc/00/09/29/170000929.db2.gz XKOMEPDJYZNIHZ-LBPRGKRZSA-N 1 0 208.280 1.792 10 0 BDAERO Cc1nc(C[NH2+][C@@H]2CCC[C@@H](O)C2)[nH]c1C ZINC000657327604 411465922 /nfs/dbraw/zinc/46/59/22/411465922.db2.gz WXVAGNKJYLTQEW-GHMZBOCLSA-N 1 0 223.320 1.420 10 0 BDAERO CC[N@@H+]1CC[C@@H](CNc2ncccc2F)C1 ZINC000054700619 170009412 /nfs/dbraw/zinc/00/94/12/170009412.db2.gz BQKFHNGTJBPVOV-JTQLQIEISA-N 1 0 223.295 1.974 10 0 BDAERO CCN1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336891769 170010878 /nfs/dbraw/zinc/01/08/78/170010878.db2.gz IWPRGPALYUDKDD-VXGBXAGGSA-N 1 0 212.337 1.097 10 0 BDAERO CCN(CC)C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000359933251 170012283 /nfs/dbraw/zinc/01/22/83/170012283.db2.gz BPINZVJOVZWATJ-SNVBAGLBSA-N 1 0 213.325 1.132 10 0 BDAERO CC[N@@H+]1CC[C@@H]2[C@@H](CCC[C@H]2C(=O)OC)C1 ZINC000100325784 170013852 /nfs/dbraw/zinc/01/38/52/170013852.db2.gz ULPTVDUQBTYMEY-QJPTWQEYSA-N 1 0 225.332 1.918 10 0 BDAERO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000660118787 411539026 /nfs/dbraw/zinc/53/90/26/411539026.db2.gz WUAIWGWELHFQIW-REWJHTLYSA-N 1 0 241.375 1.630 10 0 BDAERO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000660118786 411539797 /nfs/dbraw/zinc/53/97/97/411539797.db2.gz WUAIWGWELHFQIW-IGQOVBAYSA-N 1 0 241.375 1.630 10 0 BDAERO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccco2)C1 ZINC000309033282 170031331 /nfs/dbraw/zinc/03/13/31/170031331.db2.gz GKLUJSHRSSKJSL-ZYHUDNBSSA-N 1 0 208.305 1.709 10 0 BDAERO Cc1ccc(C)c(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000657522406 411540492 /nfs/dbraw/zinc/54/04/92/411540492.db2.gz KXSSIARHKKFKSY-GFCCVEGCSA-N 1 0 218.300 1.282 10 0 BDAERO CCN1C[C@H]([NH2+]Cc2c[nH]nc2C)[C@@H](C)C1 ZINC000309474489 170037196 /nfs/dbraw/zinc/03/71/96/170037196.db2.gz RKGYLUVFUVFBGH-CABZTGNLSA-N 1 0 222.336 1.148 10 0 BDAERO O=C1NCC[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000657524072 411540645 /nfs/dbraw/zinc/54/06/45/411540645.db2.gz QTVPIYBGZVQHSW-CYBMUJFWSA-N 1 0 241.294 1.213 10 0 BDAERO CCNC(=[NH2+])N[C@H](C)CCc1ccco1 ZINC000052044800 170041963 /nfs/dbraw/zinc/04/19/63/170041963.db2.gz RKHYVUXHFRKYPF-SECBINFHSA-N 1 0 209.293 1.735 10 0 BDAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCNC1=O ZINC000657524665 411542008 /nfs/dbraw/zinc/54/20/08/411542008.db2.gz MTFYEBAKHOXAEB-LLVKDONJSA-N 1 0 238.718 1.627 10 0 BDAERO CCNC(=O)CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000102927045 170051872 /nfs/dbraw/zinc/05/18/72/170051872.db2.gz YLCGTIFFYVLUFH-LBPRGKRZSA-N 1 0 224.348 1.777 10 0 BDAERO CCNC(=O)CCOc1cccc([C@H](C)[NH3+])c1 ZINC000051756821 170052763 /nfs/dbraw/zinc/05/27/63/170052763.db2.gz KIZOZKYYOCKCNA-JTQLQIEISA-N 1 0 236.315 1.611 10 0 BDAERO CCNC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916222 170073521 /nfs/dbraw/zinc/07/35/21/170073521.db2.gz KCUCJNGODSGNLU-GHMZBOCLSA-N 1 0 225.336 1.180 10 0 BDAERO C[N@@H+](Cc1cn[nH]c1)C[C@H]1CCC[C@@H](O)C1 ZINC000660091286 411535793 /nfs/dbraw/zinc/53/57/93/411535793.db2.gz HKSNCEZNDOAKIY-CMPLNLGQSA-N 1 0 223.320 1.393 10 0 BDAERO CCNC(=O)[C@@]1(c2ccccc2)C[C@@H]1C[NH3+] ZINC000026964692 170092575 /nfs/dbraw/zinc/09/25/75/170092575.db2.gz UVKUMJGXPDEXSQ-DGCLKSJQSA-N 1 0 218.300 1.039 10 0 in-vitro BDAERO CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177259 170095234 /nfs/dbraw/zinc/09/52/34/170095234.db2.gz UURFXYSZQNJMGP-WJTVCTBASA-N 1 0 238.375 1.925 10 0 BDAERO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309973936 170096139 /nfs/dbraw/zinc/09/61/39/170096139.db2.gz RIHIASWXSRDNPN-HBNTYKKESA-N 1 0 230.327 1.629 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1ccc(C)o1 ZINC000061289051 170106731 /nfs/dbraw/zinc/10/67/31/170106731.db2.gz HINGPYBFZXGLPX-UHFFFAOYSA-N 1 0 238.331 1.935 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1CCCC[C@H]1C ZINC000061278468 170106856 /nfs/dbraw/zinc/10/68/56/170106856.db2.gz TXHPGASQCWKOEX-SNVBAGLBSA-N 1 0 212.337 1.776 10 0 BDAERO CC[NH2+]C(C)(C)CN1CCCOCC1 ZINC000061934724 170106970 /nfs/dbraw/zinc/10/69/70/170106970.db2.gz SOCGAWWQGZTVHO-UHFFFAOYSA-N 1 0 200.326 1.097 10 0 BDAERO CC[NH2+]C(C)(C)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000061289312 170107837 /nfs/dbraw/zinc/10/78/37/170107837.db2.gz KWASDPOEMFXOKB-ZJUUUORDSA-N 1 0 228.336 1.010 10 0 BDAERO CC[NH2+]CCCc1nnc(-c2ccc(C)nc2)o1 ZINC000050616908 170113799 /nfs/dbraw/zinc/11/37/99/170113799.db2.gz FIEWZMRYIIFGOF-UHFFFAOYSA-N 1 0 246.314 1.982 10 0 BDAERO CC[NH2+]CCSc1nnc(C)s1 ZINC000042408996 170116092 /nfs/dbraw/zinc/11/60/92/170116092.db2.gz INCSYVPPFOKKCK-UHFFFAOYSA-N 1 0 203.336 1.548 10 0 BDAERO CC[NH2+]CCOc1ncccc1C(=O)OCC ZINC000051868859 170116410 /nfs/dbraw/zinc/11/64/10/170116410.db2.gz UIJKMNQTVBOTAD-UHFFFAOYSA-N 1 0 238.287 1.247 10 0 BDAERO CC[NH2+]CCc1ccc(NC(C)=O)cc1 ZINC000071443846 170117195 /nfs/dbraw/zinc/11/71/95/170117195.db2.gz WCTDKJUEXIAREV-UHFFFAOYSA-N 1 0 206.289 1.797 10 0 BDAERO CC[NH2+]CCn1cc(Br)ccc1=O ZINC000042410009 170117990 /nfs/dbraw/zinc/11/79/90/170117990.db2.gz JEYINBRVPZMNKD-UHFFFAOYSA-N 1 0 245.120 1.220 10 0 BDAERO CC[NH2+]CCn1c(=O)cnc2ccccc21 ZINC000042410109 170118169 /nfs/dbraw/zinc/11/81/69/170118169.db2.gz XFWQTTZEGULEJV-UHFFFAOYSA-N 1 0 217.272 1.006 10 0 BDAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 ZINC000061230288 170118879 /nfs/dbraw/zinc/11/88/79/170118879.db2.gz QPSKBZGLVPNYGG-LLVKDONJSA-N 1 0 249.358 1.937 10 0 BDAERO CC[NH2+]C[C@@](C)(O)c1ccc(OC)cc1 ZINC000032012224 170121284 /nfs/dbraw/zinc/12/12/84/170121284.db2.gz UIAOYYJZQSKBOI-GFCCVEGCSA-N 1 0 209.289 1.512 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc2c(c1)OCO2 ZINC000032012119 170122391 /nfs/dbraw/zinc/12/23/91/170122391.db2.gz WUOYWYFPIZJNCR-VIFPVBQESA-N 1 0 209.245 1.058 10 0 BDAERO CC[NH2+]C[C@H]1CCCN1c1ccc(C)nn1 ZINC000053697009 170122826 /nfs/dbraw/zinc/12/28/26/170122826.db2.gz ZPNRKSXDAGFUNO-LLVKDONJSA-N 1 0 220.320 1.363 10 0 BDAERO CC[NH2+]C[C@H]1CCCN(C(F)(F)F)C1 ZINC000095091540 170122983 /nfs/dbraw/zinc/12/29/83/170122983.db2.gz XURSQUOFINBUDJ-MRVPVSSYSA-N 1 0 210.243 1.828 10 0 BDAERO CC[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000032014426 170122999 /nfs/dbraw/zinc/12/29/99/170122999.db2.gz JZUQLOWUEGHLQF-JTQLQIEISA-N 1 0 223.272 1.101 10 0 BDAERO CC[NH2+]C[C@H](c1cccc(OC)c1)N(C)C ZINC000019903813 170123116 /nfs/dbraw/zinc/12/31/16/170123116.db2.gz LVRBXDHJXKPDKP-CYBMUJFWSA-N 1 0 222.332 1.907 10 0 BDAERO CC[NH2+]Cc1cc(C)nc(N2CCCC2)n1 ZINC000054831108 170125865 /nfs/dbraw/zinc/12/58/65/170125865.db2.gz CJZZGZAFSFAGCM-UHFFFAOYSA-N 1 0 220.320 1.495 10 0 BDAERO CC[NH2+]Cc1cccc(N2CCNC2=O)c1 ZINC000041054409 170128612 /nfs/dbraw/zinc/12/86/12/170128612.db2.gz FAAASLZQFCNXSQ-UHFFFAOYSA-N 1 0 219.288 1.326 10 0 BDAERO CC[NH2+]Cc1ccnc(-c2ccco2)n1 ZINC000054791403 170129240 /nfs/dbraw/zinc/12/92/40/170129240.db2.gz RQYCRXAHMPTWGY-UHFFFAOYSA-N 1 0 203.245 1.846 10 0 BDAERO CC[NH2+]Cc1ccccc1N1CCOC1=O ZINC000041054411 170129642 /nfs/dbraw/zinc/12/96/42/170129642.db2.gz SNHRJLRGUAXQQE-UHFFFAOYSA-N 1 0 220.272 1.753 10 0 BDAERO CC[NH2+]Cc1cnc(-c2cnccn2)nc1 ZINC000054855632 170129725 /nfs/dbraw/zinc/12/97/25/170129725.db2.gz SCIFEVAVIDRCTM-UHFFFAOYSA-N 1 0 215.260 1.043 10 0 BDAERO CC[NH2+]Cc1cnn(-c2ncccn2)c1C ZINC000042355823 170130327 /nfs/dbraw/zinc/13/03/27/170130327.db2.gz ASRJZDITYYYOGI-UHFFFAOYSA-N 1 0 217.276 1.080 10 0 BDAERO CC[NH2+]Cc1nnnn1[C@H](C)C1CCCCC1 ZINC000054746809 170131427 /nfs/dbraw/zinc/13/14/27/170131427.db2.gz HRFLJANOCAQWOF-SNVBAGLBSA-N 1 0 237.351 1.924 10 0 BDAERO CC[NH2+]Cc1nnc(-c2cscn2)o1 ZINC000062362095 170131484 /nfs/dbraw/zinc/13/14/84/170131484.db2.gz BQHIXODSFBQYJY-UHFFFAOYSA-N 1 0 210.262 1.303 10 0 BDAERO CC[NH2+]Cc1nnnn1-c1ccc(Cl)cc1 ZINC000054744177 170131510 /nfs/dbraw/zinc/13/15/10/170131510.db2.gz ZZFQONPGISIJHW-UHFFFAOYSA-N 1 0 237.694 1.425 10 0 BDAERO CC[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000031934698 170131796 /nfs/dbraw/zinc/13/17/96/170131796.db2.gz ZVJSLWHXWIQGAW-UHFFFAOYSA-N 1 0 237.328 1.711 10 0 BDAERO CC[NH2+]Cc1nnnn1C1CCC(C)CC1 ZINC000054746029 170132193 /nfs/dbraw/zinc/13/21/93/170132193.db2.gz CMBCHZGUFJIZHN-UHFFFAOYSA-N 1 0 223.324 1.534 10 0 BDAERO CC[NH2+][C@@H](C)C1CCN(c2nccn2C)CC1 ZINC000104409260 170139464 /nfs/dbraw/zinc/13/94/64/170139464.db2.gz LDYJBDSIAXIXKF-NSHDSACASA-N 1 0 236.363 1.635 10 0 BDAERO CC[NH2+][C@@H](CO)c1cc(CC)ccc1OC ZINC000071531144 170145235 /nfs/dbraw/zinc/14/52/35/170145235.db2.gz KQGVOKZQJZOBFV-LBPRGKRZSA-N 1 0 223.316 1.901 10 0 BDAERO CC[NH2+][C@@H](Cn1ncccc1=O)c1ccccc1 ZINC000061402396 170146219 /nfs/dbraw/zinc/14/62/19/170146219.db2.gz QZPUZDOHKXIJBD-ZDUSSCGKSA-N 1 0 243.310 1.594 10 0 BDAERO CC(C)[C@H]1C[N@@H+]([C@@H]2CCC[C@H]2O)CCO1 ZINC000660220002 411555413 /nfs/dbraw/zinc/55/54/13/411555413.db2.gz GGJSNVGUYVVHQI-IJLUTSLNSA-N 1 0 213.321 1.257 10 0 BDAERO CC[NH2+][C@H]1c2ccc(OC)cc2NC1=O ZINC000042069381 170149251 /nfs/dbraw/zinc/14/92/51/170149251.db2.gz JCCLADWKJDZNGV-JTQLQIEISA-N 1 0 206.245 1.298 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@H]1CN1CCn2ccnc2C1 ZINC000062322318 170151552 /nfs/dbraw/zinc/15/15/52/170151552.db2.gz PXZLFBHJJARYDS-QWHCGFSZSA-N 1 0 248.374 1.477 10 0 BDAERO CC[NH2+][C@@H]1CCC[C@H]1OCCCOC ZINC000044107994 170152334 /nfs/dbraw/zinc/15/23/34/170152334.db2.gz TVVFWAHWPQBAEM-GHMZBOCLSA-N 1 0 201.310 1.570 10 0 BDAERO CC[NH2+][C@@H]1CCN(c2ccc3c(c2)OCO3)C1=O ZINC000049647949 170152822 /nfs/dbraw/zinc/15/28/22/170152822.db2.gz RKMAQCHBCUSYHH-SNVBAGLBSA-N 1 0 248.282 1.130 10 0 BDAERO CC[NH2+][C@@H]1CC[S@@](=O)c2c(OC)cccc21 ZINC000041031286 170154144 /nfs/dbraw/zinc/15/41/44/170154144.db2.gz ZBXMILHTVJCBRF-HWPZZCPQSA-N 1 0 239.340 1.857 10 0 BDAERO CC[NH2+][C@H](C(N)=O)c1cc(C)ccc1C ZINC000049670719 170155884 /nfs/dbraw/zinc/15/58/84/170155884.db2.gz YWHDILZNGKYGIM-NSHDSACASA-N 1 0 206.289 1.439 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)NCc1ccc(C)nc1 ZINC000062055392 170157021 /nfs/dbraw/zinc/15/70/21/170157021.db2.gz AROHVPQYZQCVQK-LLVKDONJSA-N 1 0 235.331 1.394 10 0 BDAERO CC[NH2+][C@H](C)CC(=O)N1CCOC(C)(C)C1 ZINC000061269921 170157146 /nfs/dbraw/zinc/15/71/46/170157146.db2.gz JHEHBNKPJUHZAF-SNVBAGLBSA-N 1 0 228.336 1.012 10 0 BDAERO CC[NH2+][C@H](CCN1CC[C@H](O)C1)c1ccccc1 ZINC000061711963 170161824 /nfs/dbraw/zinc/16/18/24/170161824.db2.gz NILSMORDHVDOKE-LSDHHAIUSA-N 1 0 248.370 1.794 10 0 BDAERO CC[NH2+][C@H]1CCCC[C@H]1CN1CCOC[C@@H]1C ZINC000053858145 170165723 /nfs/dbraw/zinc/16/57/23/170165723.db2.gz ROELUMVACSOCBO-IHRRRGAJSA-N 1 0 240.391 1.875 10 0 BDAERO CC[NH2+][C@H]1CCCCC[C@H]1N1CCOCC1 ZINC000043808269 170165787 /nfs/dbraw/zinc/16/57/87/170165787.db2.gz ZKIIUGLRUZMHGF-QWHCGFSZSA-N 1 0 226.364 1.629 10 0 BDAERO CC[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1=O ZINC000049647676 170167851 /nfs/dbraw/zinc/16/78/51/170167851.db2.gz HLXXCDFQNOSPFY-JTQLQIEISA-N 1 0 240.253 1.680 10 0 BDAERO CC[NH2+][C@H]1CCN([C@H](C)c2cccnc2)C1=O ZINC000049648705 170167936 /nfs/dbraw/zinc/16/79/36/170167936.db2.gz KRVKHKDUARNPAL-PWSUYJOCSA-N 1 0 233.315 1.353 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccccc2F)C1=O ZINC000049647644 170168255 /nfs/dbraw/zinc/16/82/55/170168255.db2.gz BOEXERHYLGACBH-LBPRGKRZSA-N 1 0 236.290 1.536 10 0 BDAERO CC[NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000049647298 170168330 /nfs/dbraw/zinc/16/83/30/170168330.db2.gz UJDBZYKTJQRJMI-ZDUSSCGKSA-N 1 0 248.326 1.406 10 0 BDAERO CC[NH2+][C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000035762808 170168519 /nfs/dbraw/zinc/16/85/19/170168519.db2.gz HGOQURMMALSKAO-JTQLQIEISA-N 1 0 243.303 1.654 10 0 BDAERO CC[NH2+][C@H]1CCOC[C@@H]1N1CCC(C)CC1 ZINC000043806791 170168628 /nfs/dbraw/zinc/16/86/28/170168628.db2.gz KHGDMJWQGMWVNC-STQMWFEESA-N 1 0 226.364 1.485 10 0 BDAERO CCNc1nc(N(CC)CC)nc(NCC)[nH+]1 ZINC000002382772 170177283 /nfs/dbraw/zinc/17/72/83/170177283.db2.gz PKIMGNVJQPTABT-UHFFFAOYSA-N 1 0 238.339 1.581 10 0 BDAERO CCOC(=O)C1(NCC2CC2)CC[NH+](C)CC1 ZINC000037968127 170190631 /nfs/dbraw/zinc/19/06/31/170190631.db2.gz BKUKWTDLOWXIBC-UHFFFAOYSA-N 1 0 240.347 1.014 10 0 BDAERO CCOC(=O)CC[NH2+]CC(CC)CC ZINC000045685544 170209662 /nfs/dbraw/zinc/20/96/62/170209662.db2.gz FLBYAYHETTYDGJ-UHFFFAOYSA-N 1 0 201.310 1.965 10 0 BDAERO CCOC(=O)COc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745634 170228812 /nfs/dbraw/zinc/22/88/12/170228812.db2.gz FSZDHRYDTHGRFN-MRVPVSSYSA-N 1 0 241.262 1.787 10 0 BDAERO CCOC(=O)N(CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747952 170238093 /nfs/dbraw/zinc/23/80/93/170238093.db2.gz FBROMNCEWQRCTH-ZACCUICWSA-N 1 0 226.320 1.748 10 0 BDAERO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069725457 170239025 /nfs/dbraw/zinc/23/90/25/170239025.db2.gz GGPAWRCOUINSRY-BDAKNGLRSA-N 1 0 200.282 1.202 10 0 BDAERO CCOC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916272 170239163 /nfs/dbraw/zinc/23/91/63/170239163.db2.gz VIQHYBBDXJPEPM-NSHDSACASA-N 1 0 226.320 1.607 10 0 BDAERO CCOC(=O)NC1CCC([NH2+]C)CC1 ZINC000036880937 170241107 /nfs/dbraw/zinc/24/11/07/170241107.db2.gz FUHBTNACBNJQOA-UHFFFAOYSA-N 1 0 200.282 1.263 10 0 BDAERO CCOC(=O)[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053245925 170245396 /nfs/dbraw/zinc/24/53/96/170245396.db2.gz AKONGIGBBZUYCC-NWDGAFQWSA-N 1 0 242.363 1.212 10 0 BDAERO CCOC(=O)[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000037964106 170256455 /nfs/dbraw/zinc/25/64/55/170256455.db2.gz NRVDHMWRTCQCSB-CYBMUJFWSA-N 1 0 248.326 1.196 10 0 BDAERO CCOC(=O)[C@H](CC[N@@H+]1CCC[C@H](C)C1)NC ZINC000062440994 170272660 /nfs/dbraw/zinc/27/26/60/170272660.db2.gz RQFXAPIKIZMRPB-RYUDHWBXSA-N 1 0 242.363 1.260 10 0 BDAERO CCOC(=O)[C@H]([NH3+])CCn1ncc2ccccc21 ZINC000062538058 170275700 /nfs/dbraw/zinc/27/57/00/170275700.db2.gz IHTZRGUSRXRLMG-LLVKDONJSA-N 1 0 247.298 1.317 10 0 BDAERO CCOC(=O)[C@](C)(N)C[N@@H+]1CCC[C@H](C)CC1 ZINC000104350536 170284397 /nfs/dbraw/zinc/28/43/97/170284397.db2.gz FKMMFTWKVJIKEH-WCQYABFASA-N 1 0 242.363 1.389 10 0 BDAERO CCOC(=O)[C@]1([NH3+])CC[C@@H](OC(C)(C)C)C1 ZINC000035630194 170286230 /nfs/dbraw/zinc/28/62/30/170286230.db2.gz UPTXHFIKMPXRKH-SKDRFNHKSA-N 1 0 229.320 1.615 10 0 BDAERO CCOC(=O)c1ccc(NCC[C@H](C)[NH3+])nc1 ZINC000063171783 170297209 /nfs/dbraw/zinc/29/72/09/170297209.db2.gz MZEWZVZEODFEKC-VIFPVBQESA-N 1 0 237.303 1.408 10 0 BDAERO CCOC(=O)c1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000040855392 170298896 /nfs/dbraw/zinc/29/88/96/170298896.db2.gz AOFBSDRSOOCRAF-QMMMGPOBSA-N 1 0 236.271 1.149 10 0 BDAERO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1C[C@H]1C ZINC000186342861 170308733 /nfs/dbraw/zinc/30/87/33/170308733.db2.gz KJSOPNKRNIXWOC-PSASIEDQSA-N 1 0 237.303 1.095 10 0 BDAERO CCOC(CC[N@H+](C)C1CC1)OCC ZINC000082486427 170314974 /nfs/dbraw/zinc/31/49/74/170314974.db2.gz PUVHKIJIPJQPCS-UHFFFAOYSA-N 1 0 201.310 1.870 10 0 BDAERO CCOCC(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035634882 170348777 /nfs/dbraw/zinc/34/87/77/170348777.db2.gz DFDITFBXKYLBBP-SNVBAGLBSA-N 1 0 236.315 1.942 10 0 BDAERO CCOCC(=O)Nc1ccccc1[C@H](C)[NH2+]C ZINC000035643115 170348974 /nfs/dbraw/zinc/34/89/74/170348974.db2.gz NIQHWYBBMFBXSC-JTQLQIEISA-N 1 0 236.315 1.942 10 0 BDAERO CCOCCC[NH2+][C@@H](C)C(=O)N[C@@H](C)CC ZINC000034938516 170381398 /nfs/dbraw/zinc/38/13/98/170381398.db2.gz VOEJLXKSEJHRGT-QWRGUYRKSA-N 1 0 230.352 1.306 10 0 BDAERO CCOCCN1CC[N@H+](CCCF)C[C@@H]1C ZINC000128326987 170399778 /nfs/dbraw/zinc/39/97/78/170399778.db2.gz LUURHJYFENADLD-LBPRGKRZSA-N 1 0 232.343 1.389 10 0 BDAERO O[C@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]3COC[C@@H]32)C1 ZINC000660778604 411627359 /nfs/dbraw/zinc/62/73/59/411627359.db2.gz FOYDRSACLMZPFP-CRWXNKLISA-N 1 0 239.359 1.648 10 0 BDAERO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)CS1 ZINC000657696752 411581286 /nfs/dbraw/zinc/58/12/86/411581286.db2.gz LZRWTEJPXMURJM-OUAUKWLOSA-N 1 0 242.388 1.338 10 0 BDAERO CN1C[C@H](C[NH2+]Cc2ccc(Cl)o2)CC1=O ZINC000657695222 411581425 /nfs/dbraw/zinc/58/14/25/411581425.db2.gz WFOYWHHCOFCIIE-QMMMGPOBSA-N 1 0 242.706 1.501 10 0 BDAERO CC(C)C[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657696986 411581814 /nfs/dbraw/zinc/58/18/14/411581814.db2.gz MJAZKFJIYAVFFP-QWRGUYRKSA-N 1 0 212.337 1.489 10 0 BDAERO CN1C[C@H](C[NH2+]CC2(C)CCC2)CC1=O ZINC000657697082 411581959 /nfs/dbraw/zinc/58/19/59/411581959.db2.gz ZSUSOXZQVDXWPP-JTQLQIEISA-N 1 0 210.321 1.245 10 0 BDAERO CCOC[C@H](C)NC(=O)[C@@H]1CC[C@H](C)[C@H]([NH3+])C1 ZINC000055138688 170444983 /nfs/dbraw/zinc/44/49/83/170444983.db2.gz IVOIXRYHTPQHKT-NNYUYHANSA-N 1 0 242.363 1.291 10 0 BDAERO OCC1CC([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000657808359 411601074 /nfs/dbraw/zinc/60/10/74/411601074.db2.gz GRLSQHDQOYBEQE-UHFFFAOYSA-N 1 0 249.310 1.318 10 0 BDAERO COc1ccc(C)cc1C[NH2+]C1CC(CO)C1 ZINC000657809124 411601698 /nfs/dbraw/zinc/60/16/98/411601698.db2.gz UWSLIJNJZVMRCV-UHFFFAOYSA-N 1 0 235.327 1.864 10 0 BDAERO OCC1CC([NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657811614 411603072 /nfs/dbraw/zinc/60/30/72/411603072.db2.gz VCELWLJQJVNUJX-UHFFFAOYSA-N 1 0 245.244 1.964 10 0 BDAERO CN(Cc1ccc(N)nc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191101 411610296 /nfs/dbraw/zinc/61/02/96/411610296.db2.gz JZCIQZMCEQIFCN-GFCCVEGCSA-N 1 0 234.347 1.047 10 0 BDAERO CCOc1cc(CN2CC[NH2+]CC2)ccc1O ZINC000038086677 170522155 /nfs/dbraw/zinc/52/21/55/170522155.db2.gz UYGZHHBNTGCVCL-UHFFFAOYSA-N 1 0 236.315 1.196 10 0 BDAERO CC1(C)[C@H]([NH2+]CCOCCF)[C@H]2CCO[C@H]21 ZINC000663461721 411664129 /nfs/dbraw/zinc/66/41/29/411664129.db2.gz GWEMATGKJAPYRY-GMTAPVOTSA-N 1 0 231.311 1.376 10 0 BDAERO CCOc1ccc([C@H](O)CCC[NH3+])cc1 ZINC000036158644 170564045 /nfs/dbraw/zinc/56/40/45/170564045.db2.gz HGSMDEYIYBVUTC-GFCCVEGCSA-N 1 0 209.289 1.858 10 0 BDAERO CCOc1cccc(OCC[C@@H]([NH3+])CO)c1 ZINC000071532336 170583404 /nfs/dbraw/zinc/58/34/04/170583404.db2.gz RLFGFOLVYSPFCC-SNVBAGLBSA-N 1 0 225.288 1.174 10 0 BDAERO CCOc1ccccc1OCCOCC[NH2+]C ZINC000041282043 170596340 /nfs/dbraw/zinc/59/63/40/170596340.db2.gz RYGFTSFJKXDGDH-UHFFFAOYSA-N 1 0 239.315 1.700 10 0 BDAERO CCOc1ccccc1[C@@H](O)C[NH2+]C1CC1 ZINC000032013875 170598560 /nfs/dbraw/zinc/59/85/60/170598560.db2.gz AWVXLWIHCXBARH-LBPRGKRZSA-N 1 0 221.300 1.871 10 0 BDAERO Cc1nccnc1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000630534353 411790524 /nfs/dbraw/zinc/79/05/24/411790524.db2.gz WPNZFEMQQIRNCU-SCZZXKLOSA-N 1 0 206.293 1.337 10 0 BDAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1OC ZINC000050373356 170745261 /nfs/dbraw/zinc/74/52/61/170745261.db2.gz FJWPRHCBWAZODM-KKOKHZNYSA-N 1 0 242.363 1.447 10 0 BDAERO CC(=O)N1CCC[C@@H](c2ccc(N)nc2)CC1 ZINC000616627298 411855653 /nfs/dbraw/zinc/85/56/53/411855653.db2.gz HIOOTGGPYYXPEK-LLVKDONJSA-N 1 0 233.315 1.780 10 0 BDAERO CC[C@@H](C[NH3+])NC(=O)[C@H]1COc2ccccc2C1 ZINC000104327120 170822207 /nfs/dbraw/zinc/82/22/07/170822207.db2.gz OZUWVDIGMYCGEM-NEPJUHHUSA-N 1 0 248.326 1.091 10 0 BDAERO CC[C@@H]([NH3+])Cc1noc(-c2ccoc2)n1 ZINC000054184744 170866002 /nfs/dbraw/zinc/86/60/02/170866002.db2.gz ITOKIRABRGKJSC-MRVPVSSYSA-N 1 0 207.233 1.609 10 0 BDAERO CC[C@@H]([NH3+])[C@@H](c1ccc(OC)cc1)N(C)OC ZINC000042961276 170868368 /nfs/dbraw/zinc/86/83/68/170868368.db2.gz QABVXMJLYVLEJJ-CHWSQXEVSA-N 1 0 238.331 1.967 10 0 BDAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(=O)[nH]n1)C(C)C ZINC000286159816 170908035 /nfs/dbraw/zinc/90/80/35/170908035.db2.gz PUCILPBAIOPFNX-VHSXEESVSA-N 1 0 223.320 1.855 10 0 BDAERO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)C(C)(C)C ZINC000336773022 170909779 /nfs/dbraw/zinc/90/97/79/170909779.db2.gz YKNDVZSRCBSECF-NXEZZACHSA-N 1 0 212.337 1.631 10 0 BDAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000336726736 171044638 /nfs/dbraw/zinc/04/46/38/171044638.db2.gz GZFQHJCJWXLICV-VLEAKVRGSA-N 1 0 210.321 1.432 10 0 BDAERO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309720109 171060428 /nfs/dbraw/zinc/06/04/28/171060428.db2.gz VRTBAJMOPNRWSQ-MXWKQRLJSA-N 1 0 224.348 1.822 10 0 BDAERO CC[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CCO1 ZINC000044132624 171096461 /nfs/dbraw/zinc/09/64/61/171096461.db2.gz PRCCOKYKLBJMDV-YUELXQCFSA-N 1 0 247.338 1.756 10 0 BDAERO CC[C@@H]1CN(c2nncs2)[C@H](CC)C[NH2+]1 ZINC000083117975 171098913 /nfs/dbraw/zinc/09/89/13/171098913.db2.gz GORLZKPNKKMDFR-RKDXNWHRSA-N 1 0 226.349 1.505 10 0 BDAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc[nH]c1 ZINC000175030304 171099716 /nfs/dbraw/zinc/09/97/16/171099716.db2.gz BMFVRQOKOSORDO-CHWSQXEVSA-N 1 0 247.342 1.714 10 0 BDAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1cnns1 ZINC000083347102 171101307 /nfs/dbraw/zinc/10/13/07/171101307.db2.gz CXNYIZFOGONDRA-JGVFFNPUSA-N 1 0 212.322 1.115 10 0 BDAERO CC[C@@H]1COCCN1Cc1occc1C[NH3+] ZINC000052481477 171107500 /nfs/dbraw/zinc/10/75/00/171107500.db2.gz QHFXQQWXZJQBSC-LLVKDONJSA-N 1 0 224.304 1.349 10 0 BDAERO CC[C@@H]1COCCN1[C@@](C)(C[NH3+])C1CC1 ZINC000036325988 171108368 /nfs/dbraw/zinc/10/83/68/171108368.db2.gz HNFOPGWLHWQRFL-NEPJUHHUSA-N 1 0 212.337 1.225 10 0 BDAERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](C)C(=O)OC ZINC000042451097 171110368 /nfs/dbraw/zinc/11/03/68/171110368.db2.gz RXWWUHKEKLIGCU-OUAUKWLOSA-N 1 0 229.320 1.295 10 0 BDAERO CC[C@@H]1CO[C@H](C)CN1Cc1ccoc1C[NH3+] ZINC000052570983 171114888 /nfs/dbraw/zinc/11/48/88/171114888.db2.gz LANCNRLFADRPTH-ZYHUDNBSSA-N 1 0 238.331 1.738 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](OC)CC1 ZINC000363937644 171177044 /nfs/dbraw/zinc/17/70/44/171177044.db2.gz HYNSXBAJAXZREI-NWDGAFQWSA-N 1 0 215.337 1.648 10 0 BDAERO CC[C@@]1(C(=O)N[C@H](C)c2cccnc2)CC[NH2+]C1 ZINC000062890649 171198082 /nfs/dbraw/zinc/19/80/82/171198082.db2.gz GRFIFTXCOPUKFV-BXUZGUMPSA-N 1 0 247.342 1.649 10 0 BDAERO CC[C@@]1(C)NNc2[nH+]cccc2-n2cccc21 ZINC000039102789 171209175 /nfs/dbraw/zinc/20/91/75/171209175.db2.gz LYZIKCUGDZSRLQ-CYBMUJFWSA-N 1 0 228.299 1.988 10 0 BDAERO CC[C@@]1(CN2CCOCC2(C)C)CCC[NH2+]C1 ZINC000062862464 171211592 /nfs/dbraw/zinc/21/15/92/171211592.db2.gz DOFSNZHPZPAPQA-CQSZACIVSA-N 1 0 240.391 1.877 10 0 BDAERO CC[C@@]1(c2nnc3ccc(C)nn32)CCC[NH2+]C1 ZINC000062871592 171217500 /nfs/dbraw/zinc/21/75/00/171217500.db2.gz IJTZGERXFKVYTF-CYBMUJFWSA-N 1 0 245.330 1.464 10 0 BDAERO CC[C@H](C)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000233989469 171249517 /nfs/dbraw/zinc/24/95/17/171249517.db2.gz BMCKDOAYYZXFKH-OUAUKWLOSA-N 1 0 212.337 1.618 10 0 BDAERO CC[C@H](C)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084309265 171303862 /nfs/dbraw/zinc/30/38/62/171303862.db2.gz TWZHLSPAYKLNEU-HBNTYKKESA-N 1 0 212.337 1.618 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)CCCCC[NH3+] ZINC000042591171 171314809 /nfs/dbraw/zinc/31/48/09/171314809.db2.gz ADAKHPYVFXHUQQ-LBPRGKRZSA-N 1 0 244.379 1.779 10 0 BDAERO CC[C@H](C)N(CCOC)C(=O)C1CC[NH2+]CC1 ZINC000042591114 171314934 /nfs/dbraw/zinc/31/49/34/171314934.db2.gz DJWALLKIBAHBGX-NSHDSACASA-N 1 0 242.363 1.260 10 0 BDAERO CC[C@H](C)N(CCOC)c1cc(C[NH3+])ccn1 ZINC000042561117 171315272 /nfs/dbraw/zinc/31/52/72/171315272.db2.gz PFOUWELKUHXZFF-NSHDSACASA-N 1 0 237.347 1.792 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+]C[C@@H]1CCCCO1 ZINC000038014722 171322872 /nfs/dbraw/zinc/32/28/72/171322872.db2.gz AAAICCAIOXNKBX-RYUDHWBXSA-N 1 0 242.363 1.450 10 0 BDAERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1O ZINC000038014344 171324067 /nfs/dbraw/zinc/32/40/67/171324067.db2.gz OJOWQYRVELRUPR-SRVKXCTJSA-N 1 0 242.363 1.184 10 0 BDAERO CC[C@H](C)NC(=O)C[C@@H](C[NH3+])c1ccccn1 ZINC000076618144 171327463 /nfs/dbraw/zinc/32/74/63/171327463.db2.gz RKICKRSDKXDKEK-QWRGUYRKSA-N 1 0 235.331 1.429 10 0 BDAERO CC[C@H](C)NC(=O)[C@@H](C)OC1CCC([NH3+])CC1 ZINC000055142872 171332097 /nfs/dbraw/zinc/33/20/97/171332097.db2.gz UHQHIFRMCPVGQG-DMOGRIERSA-N 1 0 242.363 1.576 10 0 BDAERO CC[C@H](C)NC(=O)[C@H](CC[NH3+])C(C)C ZINC000076582789 171335644 /nfs/dbraw/zinc/33/56/44/171335644.db2.gz ZMPVJRKWCHCACJ-VHSXEESVSA-N 1 0 200.326 1.522 10 0 BDAERO CC[C@H](C)[NH2+][C@H](C)c1c(C)nc(C)[nH]c1=O ZINC000037484074 171348059 /nfs/dbraw/zinc/34/80/59/171348059.db2.gz VJWCJWRZBUBRCR-JGVFFNPUSA-N 1 0 223.320 1.836 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC=CCC1 ZINC000045647377 171395506 /nfs/dbraw/zinc/39/55/06/171395506.db2.gz ROJLNDQODFUPAN-TUAOUCFPSA-N 1 0 224.348 1.832 10 0 BDAERO CC[C@H](C)[C@H]([NH3+])CN1C[C@@H](C)O[C@@H](C)C1 ZINC000020071798 171396625 /nfs/dbraw/zinc/39/66/25/171396625.db2.gz AEOMCVPJECVQNP-NNYUYHANSA-N 1 0 214.353 1.469 10 0 BDAERO CC[C@H](C[NH3+])C(=O)N1CCOc2ccccc2C1 ZINC000063012779 171429773 /nfs/dbraw/zinc/42/97/73/171429773.db2.gz ZNETZNVXQYNJQB-LLVKDONJSA-N 1 0 248.326 1.393 10 0 BDAERO CC[C@H](C[NH3+])C(=O)Nc1ccc(OC)cc1C ZINC000061567017 171430024 /nfs/dbraw/zinc/43/00/24/171430024.db2.gz KTBGYSRYLUAKFP-SNVBAGLBSA-N 1 0 236.315 1.927 10 0 BDAERO COc1cccc(OC)c1CN[C@H]1CC[NH2+]C1 ZINC000665237785 412178124 /nfs/dbraw/zinc/17/81/24/412178124.db2.gz JWQHXQXWKRILPF-JTQLQIEISA-N 1 0 236.315 1.155 10 0 BDAERO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)C1CCCC1 ZINC000662459867 412183470 /nfs/dbraw/zinc/18/34/70/412183470.db2.gz MTFKBAVDPHMXOI-MWLCHTKSSA-N 1 0 212.337 1.679 10 0 BDAERO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000665243908 412187329 /nfs/dbraw/zinc/18/73/29/412187329.db2.gz AUUBCYMYSPNWSV-GARJFASQSA-N 1 0 248.317 1.388 10 0 BDAERO CC[C@H]([NH3+])CS(=O)(=O)c1ccc(OC)cc1 ZINC000011896701 171485360 /nfs/dbraw/zinc/48/53/60/171485360.db2.gz CZALHLSNBVPLDZ-VIFPVBQESA-N 1 0 243.328 1.206 10 0 BDAERO CC(C)(F)CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000665261795 412204724 /nfs/dbraw/zinc/20/47/24/412204724.db2.gz LRXPMOBKIHLJGF-SNVBAGLBSA-N 1 0 202.317 1.856 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCC(C)(C)F ZINC000662662193 412261977 /nfs/dbraw/zinc/26/19/77/412261977.db2.gz BPUHDVLLFOPLCI-VIFPVBQESA-N 1 0 218.316 1.614 10 0 BDAERO C[C@H]1[NH2+]CC[C@H]1Nc1nc(Cl)cs1 ZINC000575550800 412272676 /nfs/dbraw/zinc/27/26/76/412272676.db2.gz WETRDUVYVSALTH-PHDIDXHHSA-N 1 0 217.725 1.959 10 0 BDAERO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000662606020 412237347 /nfs/dbraw/zinc/23/73/47/412237347.db2.gz OQJIGGPLENJCAY-GRYCIOLGSA-N 1 0 247.342 1.157 10 0 BDAERO COC[C@H]([NH3+])C(=O)NCC1C[C@H](C)C[C@@H](C)C1 ZINC000662630217 412250012 /nfs/dbraw/zinc/25/00/12/412250012.db2.gz YSPYSKNIECTZFA-FOGDFJRCSA-N 1 0 242.363 1.149 10 0 BDAERO CC[C@H]1COCCN1[C@@H]1CCCC[NH2+]C1 ZINC000054135094 171672790 /nfs/dbraw/zinc/67/27/90/171672790.db2.gz BFNWKEKBEKYCSA-NWDGAFQWSA-N 1 0 212.337 1.239 10 0 BDAERO CC[C@H]1CSC(NC2CCOCC2)=[NH+]1 ZINC000036320137 171675740 /nfs/dbraw/zinc/67/57/40/171675740.db2.gz BNLQGHMAFIUSPN-QMMMGPOBSA-N 1 0 214.334 1.636 10 0 BDAERO CCN(Cc1ccc(C)cc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000662862324 412327725 /nfs/dbraw/zinc/32/77/25/412327725.db2.gz KNJLIZJQUXHXGF-CQSZACIVSA-N 1 0 246.354 1.953 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC2(CCC2)C1 ZINC000662908147 412342419 /nfs/dbraw/zinc/34/24/19/412342419.db2.gz ZJZVLYRLLRJHBV-MWLCHTKSSA-N 1 0 222.332 1.291 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC000662908156 412342761 /nfs/dbraw/zinc/34/27/61/412342761.db2.gz ZSCCUUQOIWJGSU-MWLCHTKSSA-N 1 0 224.348 1.809 10 0 BDAERO CC[C@]1(C(=O)N[C@H](C)c2cccnc2)CC[NH2+]C1 ZINC000062890648 171711189 /nfs/dbraw/zinc/71/11/89/171711189.db2.gz GRFIFTXCOPUKFV-RISCZKNCSA-N 1 0 247.342 1.649 10 0 BDAERO CCCOc1nccnc1N[C@@H](C)CC[NH3+] ZINC000630513303 412359543 /nfs/dbraw/zinc/35/95/43/412359543.db2.gz WWAMVOFVKMAJAV-VIFPVBQESA-N 1 0 224.308 1.415 10 0 BDAERO CC[C@H](C)CC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662983602 412362502 /nfs/dbraw/zinc/36/25/02/412362502.db2.gz DIPQWYDFDIKWKC-YUMQZZPRSA-N 1 0 240.269 1.771 10 0 BDAERO CCc1cc(C[C@@H](O)C[NH2+]C)ccc1OC ZINC000041242785 171759338 /nfs/dbraw/zinc/75/93/38/171759338.db2.gz ABLQQGAMIKNSSA-GFCCVEGCSA-N 1 0 223.316 1.380 10 0 BDAERO CCc1cc(OC2CCC([NH3+])CC2)ncn1 ZINC000055143452 171773135 /nfs/dbraw/zinc/77/31/35/171773135.db2.gz HXBWHVBYLXGJIZ-UHFFFAOYSA-N 1 0 221.304 1.688 10 0 BDAERO CCc1ccc(CCC[C@H](O)C[NH3+])cc1 ZINC000071510597 171790674 /nfs/dbraw/zinc/79/06/74/171790674.db2.gz MDOLAUVVQQBOHN-ZDUSSCGKSA-N 1 0 207.317 1.891 10 0 BDAERO CCc1ccc(CCc2nnc(CC[NH3+])o2)cc1 ZINC000019733335 171793006 /nfs/dbraw/zinc/79/30/06/171793006.db2.gz IQUIDZZLDDUCTE-UHFFFAOYSA-N 1 0 245.326 1.918 10 0 BDAERO CCCc1nccnc1N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000663271215 412403447 /nfs/dbraw/zinc/40/34/47/412403447.db2.gz ZKDOWTBQTWQGKQ-RYUDHWBXSA-N 1 0 248.374 1.993 10 0 BDAERO CCCc1nccnc1N1CCC(C[NH3+])CC1 ZINC000663270082 412403589 /nfs/dbraw/zinc/40/35/89/412403589.db2.gz HJSZHSPZQQSTAH-UHFFFAOYSA-N 1 0 234.347 1.604 10 0 BDAERO CCCc1nccnc1NC[C@@H](C)C[NH3+] ZINC000663272986 412404572 /nfs/dbraw/zinc/40/45/72/412404572.db2.gz UDUUCPAOAKURFW-VIFPVBQESA-N 1 0 208.309 1.436 10 0 BDAERO CCCc1nccnc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000663275316 412405021 /nfs/dbraw/zinc/40/50/21/412405021.db2.gz WAPPUAVCVMRJJQ-WDEREUQCSA-N 1 0 234.347 1.968 10 0 BDAERO CC(C)[C@H]([NH3+])CCNc1ccc2nccnc2n1 ZINC000663275948 412405586 /nfs/dbraw/zinc/40/55/86/412405586.db2.gz HKNBILIOCVLXAD-SNVBAGLBSA-N 1 0 245.330 1.184 10 0 BDAERO CCc1ncnc(N[C@@H](C)C[NH2+]C)c1F ZINC000663278139 412407253 /nfs/dbraw/zinc/40/72/53/412407253.db2.gz CUXZILYIASBWTR-ZETCQYMHSA-N 1 0 212.272 1.198 10 0 BDAERO CCc1nc(C)cc(N[C@H](C)C[NH2+]C)n1 ZINC000663279977 412408078 /nfs/dbraw/zinc/40/80/78/412408078.db2.gz WEDHSRBJRNXKGN-SECBINFHSA-N 1 0 208.309 1.367 10 0 BDAERO CCc1ccc(CNC(=O)CCC[NH3+])cc1 ZINC000083350568 171803405 /nfs/dbraw/zinc/80/34/05/171803405.db2.gz IIPIIJCJINPGHZ-UHFFFAOYSA-N 1 0 220.316 1.604 10 0 BDAERO CCc1ccc([C@H]([NH3+])Cn2cccnc2=O)cc1 ZINC000019390664 171843065 /nfs/dbraw/zinc/84/30/65/171843065.db2.gz OAPTUCVGXIGSDC-CYBMUJFWSA-N 1 0 243.310 1.506 10 0 BDAERO CCC(CC)[C@@H](O)CNC(=O)C[C@H]([NH3+])C(C)C ZINC000225811113 487623571 /nfs/dbraw/zinc/62/35/71/487623571.db2.gz UUMWIEDWUOWRSN-RYUDHWBXSA-N 1 0 244.379 1.273 10 0 BDAERO CCc1nc2ccccc2n1[C@H]1C[NH2+]C[C@H]1O ZINC000104253814 172014033 /nfs/dbraw/zinc/01/40/33/172014033.db2.gz UOBXQDYDTMLYJE-NWDGAFQWSA-N 1 0 231.299 1.104 10 0 BDAERO CCc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2O)s1 ZINC000084230275 172019292 /nfs/dbraw/zinc/01/92/92/172019292.db2.gz CXZIJLBRVFFPDA-ONGXEEELSA-N 1 0 240.372 1.956 10 0 BDAERO CCc1nccn1[C@@H]1CCC[N@H+](CCCO)C1 ZINC000105922542 172028872 /nfs/dbraw/zinc/02/88/72/172028872.db2.gz YEDPDGOLVVZFEZ-GFCCVEGCSA-N 1 0 237.347 1.465 10 0 BDAERO CCc1noc(C2([NH3+])CCC(C)CC2)n1 ZINC000041033427 172081678 /nfs/dbraw/zinc/08/16/78/172081678.db2.gz DTZQEJRAIDTXQQ-UHFFFAOYSA-N 1 0 209.293 1.996 10 0 BDAERO CCn1c(C)[nH+]c(-c2cccnc2)c1N ZINC000104907566 172137341 /nfs/dbraw/zinc/13/73/41/172137341.db2.gz UBIWTHPIMMHQBK-UHFFFAOYSA-N 1 0 202.261 1.856 10 0 BDAERO CCn1c(C)nnc1C1CCC([NH3+])CC1 ZINC000042029735 172138800 /nfs/dbraw/zinc/13/88/00/172138800.db2.gz FMGIXCASAHLUJX-UHFFFAOYSA-N 1 0 208.309 1.591 10 0 BDAERO CCn1c(C)nnc1[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070501960 172141810 /nfs/dbraw/zinc/14/18/10/172141810.db2.gz FDWDBJPIVLTFHG-NXEZZACHSA-N 1 0 208.309 1.591 10 0 BDAERO CCn1cc(C[C@H](Cc2ccncc2)[NH2+]C)cn1 ZINC000053135333 172176830 /nfs/dbraw/zinc/17/68/30/172176830.db2.gz HBWSOGRMDOAIMQ-AWEZNQCLSA-N 1 0 244.342 1.671 10 0 BDAERO CCn1cc(C[C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000050540742 172177035 /nfs/dbraw/zinc/17/70/35/172177035.db2.gz PQMWROOZUBUMLH-NWDGAFQWSA-N 1 0 207.321 1.963 10 0 BDAERO CCn1cccc1C(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038048517 172203891 /nfs/dbraw/zinc/20/38/91/172203891.db2.gz JTMDJUIQBMKSLQ-QWRGUYRKSA-N 1 0 235.331 1.508 10 0 BDAERO CCn1ccnc1N(C)Cc1ccc(C[NH3+])cc1 ZINC000050607966 172225985 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PQPOJRVTNLBJIU-IUCAKERBSA-N 1 0 230.377 1.324 10 0 BDAERO CN(C)/C=C1\CCN(c2ccccc2)C1=O ZINC000004673099 172350763 /nfs/dbraw/zinc/35/07/63/172350763.db2.gz BPLOWDXSHFEXEP-ZHACJKMWSA-N 1 0 216.284 1.869 10 0 BDAERO CN(C)C(=O)Oc1cccc(CC[NH3+])c1 ZINC000013492322 172381967 /nfs/dbraw/zinc/38/19/67/172381967.db2.gz LQVXOBJGBMHXPQ-UHFFFAOYSA-N 1 0 208.261 1.248 10 0 BDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1N ZINC000036799049 172386033 /nfs/dbraw/zinc/38/60/33/172386033.db2.gz CDJVBGVSPFVFGV-CYBMUJFWSA-N 1 0 247.342 1.321 10 0 BDAERO CN(C)C(=O)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC000096227836 172386611 /nfs/dbraw/zinc/38/66/11/172386611.db2.gz QUXJYDQHPXVBBZ-JTQLQIEISA-N 1 0 210.321 1.245 10 0 BDAERO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000118888487 172386684 /nfs/dbraw/zinc/38/66/84/172386684.db2.gz CQKYZPWGLWUTBH-GFCCVEGCSA-N 1 0 233.315 1.134 10 0 BDAERO CN(C)CC[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009967 172465641 /nfs/dbraw/zinc/46/56/41/172465641.db2.gz OEWWLOSHWVHNFN-GFCCVEGCSA-N 1 0 220.316 1.141 10 0 BDAERO CN(C)c1cccc(OCCOCC[NH3+])c1 ZINC000020221448 172568425 /nfs/dbraw/zinc/56/84/25/172568425.db2.gz QURDTKLZQJFSDU-UHFFFAOYSA-N 1 0 224.304 1.107 10 0 BDAERO CN(CC(=O)c1ccco1)C[C@@H]1CCC[NH2+]C1 ZINC000095071134 172619268 /nfs/dbraw/zinc/61/92/68/172619268.db2.gz RHJVBBHXFSASAN-LLVKDONJSA-N 1 0 236.315 1.394 10 0 BDAERO CN(CC1CCC1)c1cc(C[NH3+])ccn1 ZINC000061452997 172657008 /nfs/dbraw/zinc/65/70/08/172657008.db2.gz JCWKYDAJXIGBBJ-UHFFFAOYSA-N 1 0 205.305 1.777 10 0 BDAERO CN(CC[NH2+]C(C)(C)C)Cc1ccnn1C ZINC000163053034 172742733 /nfs/dbraw/zinc/74/27/33/172742733.db2.gz LILGLWNNKQWYNT-UHFFFAOYSA-N 1 0 224.352 1.240 10 0 BDAERO CN(C[C@@H]1CCCOC1)c1ccccc1C(N)=[NH2+] ZINC000104189144 172814359 /nfs/dbraw/zinc/81/43/59/172814359.db2.gz ZOTKUUGJSFDRSD-NSHDSACASA-N 1 0 247.342 1.833 10 0 BDAERO CN(Cc1ccccn1)[C@@]1(C[NH3+])CCSC1 ZINC000036777242 172880057 /nfs/dbraw/zinc/88/00/57/172880057.db2.gz PKRVLTZMJNXZOO-GFCCVEGCSA-N 1 0 237.372 1.348 10 0 BDAERO CN(Cc1ccoc1)[C@H]1CCCC[NH2+]C1 ZINC000054135353 172903549 /nfs/dbraw/zinc/90/35/49/172903549.db2.gz HNIFHFBVVADWDG-LBPRGKRZSA-N 1 0 208.305 1.854 10 0 BDAERO CN(Cc1cnn(C)c1)c1cc[nH+]cc1N ZINC000042488548 172918285 /nfs/dbraw/zinc/91/82/85/172918285.db2.gz DLTGSRHRWCGGBS-UHFFFAOYSA-N 1 0 217.276 1.034 10 0 BDAERO CN1C(=[NH2+])NC[C@@H]1c1cccc(Cl)c1 ZINC000027708560 172973891 /nfs/dbraw/zinc/97/38/91/172973891.db2.gz DEJYHIWDHBYRMB-SECBINFHSA-N 1 0 209.680 1.641 10 0 BDAERO C[NH+]1CCC(CO)(Nc2ccccc2)CC1 ZINC000038112712 172986697 /nfs/dbraw/zinc/98/66/97/172986697.db2.gz ISKQVLCBKDAKLP-UHFFFAOYSA-N 1 0 220.316 1.555 10 0 BDAERO C[N@@H+]1CCCC[C@@H]1CNc1ccc(N)nc1 ZINC000044563546 173005286 /nfs/dbraw/zinc/00/52/86/173005286.db2.gz YFEGZLGCPLKVQY-LLVKDONJSA-N 1 0 220.320 1.560 10 0 BDAERO CN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000054243729 173005762 /nfs/dbraw/zinc/00/57/62/173005762.db2.gz WUKPVBGKHLHSGA-TZMCWYRMSA-N 1 0 237.391 1.297 10 0 BDAERO C[N@@H+]1CCCC[C@H]1COC(=O)n1ccnc1 ZINC000039110531 173009038 /nfs/dbraw/zinc/00/90/38/173009038.db2.gz WGIVJCWMHUHADR-JTQLQIEISA-N 1 0 223.276 1.352 10 0 BDAERO C[N@@H+]1CCCN(Cc2ccccc2N)CC1 ZINC000020217520 173018147 /nfs/dbraw/zinc/01/81/47/173018147.db2.gz PLTDOMMARWKRDD-UHFFFAOYSA-N 1 0 219.332 1.406 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2cc(N)cc(F)c2)C1 ZINC000040715811 173020530 /nfs/dbraw/zinc/02/05/30/173020530.db2.gz FOYKTNVBKYTQKZ-LLVKDONJSA-N 1 0 223.295 1.914 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2cccc(N)c2)C1 ZINC000040715747 173020603 /nfs/dbraw/zinc/02/06/03/173020603.db2.gz JOHHJDDPUUSSRM-GFCCVEGCSA-N 1 0 205.305 1.775 10 0 BDAERO C[N@@H+]1CCC[C@@H](Nc2cncc(Cl)n2)C1 ZINC000043537904 173022925 /nfs/dbraw/zinc/02/29/25/173022925.db2.gz IIQZRRASJWJSFX-MRVPVSSYSA-N 1 0 226.711 1.636 10 0 BDAERO CN(c1cc(N)cc(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000053206070 173044551 /nfs/dbraw/zinc/04/45/51/173044551.db2.gz UPCFTTDXLGDIAQ-LBPRGKRZSA-N 1 0 237.322 1.938 10 0 BDAERO CN1CCN(Cc2ccccc2)[C@]2(CC[NH2+]C2)C1 ZINC000096984083 173086830 /nfs/dbraw/zinc/08/68/30/173086830.db2.gz GRRMNRWQRXHGSL-HNNXBMFYSA-N 1 0 245.370 1.166 10 0 BDAERO CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000020268296 173096669 /nfs/dbraw/zinc/09/66/69/173096669.db2.gz MSCWZDBURPFNHM-LLVKDONJSA-N 1 0 210.708 1.916 10 0 BDAERO CN1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000034155287 173098147 /nfs/dbraw/zinc/09/81/47/173098147.db2.gz VFKOTIALXPYKGA-NSHDSACASA-N 1 0 210.708 1.916 10 0 BDAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cscn1 ZINC000070823018 173111628 /nfs/dbraw/zinc/11/16/28/173111628.db2.gz CRVKNRVGHGOPSI-SECBINFHSA-N 1 0 239.344 1.167 10 0 BDAERO C[N@@H+]1CC[C@@H](CNc2c(F)cc(N)cc2F)C1 ZINC000038040209 173117758 /nfs/dbraw/zinc/11/77/58/173117758.db2.gz NWUHKQSJFZKAAG-QMMMGPOBSA-N 1 0 241.285 1.911 10 0 BDAERO C[N@@H+]1CC[C@@H](Nc2ccc3c(c2)NC(=O)CO3)C1 ZINC000061984748 173125904 /nfs/dbraw/zinc/12/59/04/173125904.db2.gz RZXQWPQUFIPIQQ-SNVBAGLBSA-N 1 0 247.298 1.134 10 0 BDAERO C[N@@H+]1CC[C@@](CO)(CCO)[C@@H]1c1ccccc1 ZINC000095828836 173135608 /nfs/dbraw/zinc/13/56/08/173135608.db2.gz NJWCRLHOZPTEBU-KBPBESRZSA-N 1 0 235.327 1.424 10 0 BDAERO C[N@@H+]1CC[C@@](CO)(Nc2ccc(F)cc2)C1 ZINC000061992112 173136086 /nfs/dbraw/zinc/13/60/86/173136086.db2.gz JSHZQFKPDCYCEU-GFCCVEGCSA-N 1 0 224.279 1.304 10 0 BDAERO C[N@@H+]1CC[C@@]2(CC(=O)NC2=O)[C@@H]1c1ccccc1 ZINC000095828910 173139673 /nfs/dbraw/zinc/13/96/73/173139673.db2.gz LKIWSDNHKKUEMY-GXTWGEPZSA-N 1 0 244.294 1.096 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ccc(Cl)nn2)C1 ZINC000037485163 173146251 /nfs/dbraw/zinc/14/62/51/173146251.db2.gz RMVGTXCBHPDQDA-MRVPVSSYSA-N 1 0 226.711 1.494 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ccc(N)nc2)C1 ZINC000037484611 173146316 /nfs/dbraw/zinc/14/63/16/173146316.db2.gz KDFPMFGGZGDLFW-SECBINFHSA-N 1 0 206.293 1.027 10 0 BDAERO C[N@@H+]1CC[C@H](CNCc2cn3ccccc3n2)C1 ZINC000037655413 173146565 /nfs/dbraw/zinc/14/65/65/173146565.db2.gz ZTWBDINGNYCJAN-GFCCVEGCSA-N 1 0 244.342 1.376 10 0 BDAERO C[N@@H+]1CC[C@H](CNc2ccc(N)cc2F)C1 ZINC000037484559 173147135 /nfs/dbraw/zinc/14/71/35/173147135.db2.gz YAJITHHNVAGEKA-SECBINFHSA-N 1 0 223.295 1.772 10 0 BDAERO CN(C)c1ccc(N[C@H]2CC[N@H+](C)C2)cc1 ZINC000061984993 173154079 /nfs/dbraw/zinc/15/40/79/173154079.db2.gz QMHYHAQMNWMDRC-LBPRGKRZSA-N 1 0 219.332 1.869 10 0 BDAERO C[N@@H+]1CC[C@H](Nc2c(N)ccc(F)c2F)C1 ZINC000053166229 173154787 /nfs/dbraw/zinc/15/47/87/173154787.db2.gz SHXADIXUQAZSHU-ZETCQYMHSA-N 1 0 227.258 1.663 10 0 BDAERO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](CO)C1 ZINC000095933255 173158431 /nfs/dbraw/zinc/15/84/31/173158431.db2.gz PTRITADCAOWGKC-CHWSQXEVSA-N 1 0 205.301 1.714 10 0 BDAERO CN1C[C@@H](C[NH3+])c2ccc(Br)cc21 ZINC000071484084 173183645 /nfs/dbraw/zinc/18/36/45/173183645.db2.gz SRIOLGICUUGETF-SSDOTTSWSA-N 1 0 241.132 1.941 10 0 BDAERO CNC(=O)CCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309545534 173241953 /nfs/dbraw/zinc/24/19/53/173241953.db2.gz GVNSNURIAYGBQK-WDEREUQCSA-N 1 0 230.327 1.631 10 0 BDAERO CNC(=O)CC[NH2+][C@H]1CCc2c1cccc2O ZINC000044989423 173260269 /nfs/dbraw/zinc/26/02/69/173260269.db2.gz BYFHHWSYPRKSRV-NSHDSACASA-N 1 0 234.299 1.105 10 0 BDAERO CNC(=O)CCOc1cccc([C@@H](C)[NH2+]C)c1 ZINC000051757198 173262329 /nfs/dbraw/zinc/26/23/29/173262329.db2.gz CRZDBHWLOPWQBB-SNVBAGLBSA-N 1 0 236.315 1.482 10 0 BDAERO CNC(=O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162112 173277004 /nfs/dbraw/zinc/27/70/04/173277004.db2.gz FYIFXFQPRKBINN-UHFFFAOYSA-N 1 0 222.332 1.147 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000037224747 173277418 /nfs/dbraw/zinc/27/74/18/173277418.db2.gz NFHURVLWXLUQLS-NSHDSACASA-N 1 0 220.316 1.700 10 0 BDAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000035286417 173277518 /nfs/dbraw/zinc/27/75/18/173277518.db2.gz NMTLSCMOGACQRK-LURJTMIESA-N 1 0 232.736 1.798 10 0 BDAERO CNC(=O)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000037224727 173278466 /nfs/dbraw/zinc/27/84/66/173278466.db2.gz RUCZZBALHSHXFL-SSDOTTSWSA-N 1 0 244.697 1.876 10 0 BDAERO CNC(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC000091301744 173281468 /nfs/dbraw/zinc/28/14/68/173281468.db2.gz OQSHJQHCQMTMAA-SECBINFHSA-N 1 0 224.329 1.242 10 0 BDAERO CNC(=O)C[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000309964578 173281871 /nfs/dbraw/zinc/28/18/71/173281871.db2.gz MUZQLAVHZBZVMZ-CXQJBGSLSA-N 1 0 226.364 1.927 10 0 BDAERO CNC(=O)Cc1ccccc1NC1CC[NH2+]CC1 ZINC000038041059 173283677 /nfs/dbraw/zinc/28/36/77/173283677.db2.gz VAOHVCYQLOZXMM-UHFFFAOYSA-N 1 0 247.342 1.139 10 0 BDAERO CNC(=O)[C@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000042561500 173302405 /nfs/dbraw/zinc/30/24/05/173302405.db2.gz KSKVTQYIDHYYDL-XGNXJENSSA-N 1 0 246.354 1.965 10 0 BDAERO CNC(=O)[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000042561591 173303981 /nfs/dbraw/zinc/30/39/81/173303981.db2.gz HRKJAZOEOOGZHT-KWQFWETISA-N 1 0 234.299 1.104 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000034818833 173304434 /nfs/dbraw/zinc/30/44/34/173304434.db2.gz CIGXVRSFGDKEAH-ZJUUUORDSA-N 1 0 236.315 1.480 10 0 BDAERO CNC(=O)[C@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629298 173304483 /nfs/dbraw/zinc/30/44/83/173304483.db2.gz XXTJSMIGSYAJIB-ZJUUUORDSA-N 1 0 236.315 1.528 10 0 BDAERO CNC(=O)[C@H]1CCC[N@@H+]1[C@H](C)c1ccc(N)cc1 ZINC000042391387 173307687 /nfs/dbraw/zinc/30/76/87/173307687.db2.gz JMWUNUOAPQWYRM-ZWNOBZJWSA-N 1 0 247.342 1.540 10 0 BDAERO CNC(=O)c1ccc(C[NH2+]C2CCC2)cc1 ZINC000044480182 173310273 /nfs/dbraw/zinc/31/02/73/173310273.db2.gz RQNPMAPXAKDPTE-UHFFFAOYSA-N 1 0 218.300 1.688 10 0 BDAERO CNC(=O)c1cccc(C[NH3+])c1OC1CC1 ZINC000095738054 173311782 /nfs/dbraw/zinc/31/17/82/173311782.db2.gz ONTVYBNVWMCSTF-UHFFFAOYSA-N 1 0 220.272 1.046 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N(C)Cc1cccc(O)c1 ZINC000061317666 173317986 /nfs/dbraw/zinc/31/79/86/173317986.db2.gz TWYFDBOSVHDAKP-UHFFFAOYSA-N 1 0 236.315 1.349 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(OC)cc1 ZINC000061299998 173318286 /nfs/dbraw/zinc/31/82/86/173318286.db2.gz FXPSNKKOVIRRPZ-UHFFFAOYSA-N 1 0 222.288 1.632 10 0 BDAERO C[NH2+]C(C)(C)C(=O)NCc1nc(C)cs1 ZINC000061317840 173318303 /nfs/dbraw/zinc/31/83/03/173318303.db2.gz SOWCYJPAFDXQGR-UHFFFAOYSA-N 1 0 227.333 1.066 10 0 BDAERO C[NH2+]C(C)(C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000061317407 173318445 /nfs/dbraw/zinc/31/84/45/173318445.db2.gz PFALWUNLMSQLDA-GHMZBOCLSA-N 1 0 240.347 1.154 10 0 BDAERO C[NH2+]C(C)(C)C(=O)Nc1cccc(CO)c1 ZINC000061300924 173319136 /nfs/dbraw/zinc/31/91/36/173319136.db2.gz SNIJUVNLMXMOSB-UHFFFAOYSA-N 1 0 222.288 1.115 10 0 BDAERO C[NH2+]C1(c2nc(C)cs2)CCN(C)CC1 ZINC000041060520 173321959 /nfs/dbraw/zinc/32/19/59/173321959.db2.gz KFJARAVPMYXIBN-UHFFFAOYSA-N 1 0 225.361 1.592 10 0 BDAERO C[NH2+]C1CCC(NC(=O)C2CCC2)CC1 ZINC000036880494 173322023 /nfs/dbraw/zinc/32/20/23/173322023.db2.gz NFCMTVZZSYVVRQ-UHFFFAOYSA-N 1 0 210.321 1.433 10 0 BDAERO C[NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000035164972 173326488 /nfs/dbraw/zinc/32/64/88/173326488.db2.gz VFLLVZUXLLUQBQ-GHMZBOCLSA-N 1 0 210.321 1.387 10 0 BDAERO C[NH2+]CC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000193131058 173326609 /nfs/dbraw/zinc/32/66/09/173326609.db2.gz DZXDBSSAYVVWMX-NSHDSACASA-N 1 0 236.315 1.861 10 0 BDAERO C[NH2+]CC(=O)NCCCc1ccccc1C ZINC000077331307 173329153 /nfs/dbraw/zinc/32/91/53/173329153.db2.gz SZFYHTABWOWPCU-UHFFFAOYSA-N 1 0 220.316 1.263 10 0 BDAERO C[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000002033193 173332914 /nfs/dbraw/zinc/33/29/14/173332914.db2.gz PGFUMTLWMBTWHE-UHFFFAOYSA-N 1 0 212.680 1.806 10 0 BDAERO C[NH2+]CC(=O)N[C@H](C)c1cc(F)ccc1F ZINC000037007706 173333001 /nfs/dbraw/zinc/33/30/01/173333001.db2.gz PKULZELJMDYWGU-SSDOTTSWSA-N 1 0 228.242 1.361 10 0 BDAERO C[NH2+]CC(=O)c1ccc(Br)c(N)c1 ZINC000082550698 173335748 /nfs/dbraw/zinc/33/57/48/173335748.db2.gz BWBNBDIDQJGRSH-UHFFFAOYSA-N 1 0 243.104 1.433 10 0 BDAERO C[NH2+]CC1([C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000054654756 173337489 /nfs/dbraw/zinc/33/74/89/173337489.db2.gz SJMNAADVRQKCFD-LLVKDONJSA-N 1 0 245.388 1.591 10 0 BDAERO C[NH2+]CC1([C@H]2CCS(=O)(=O)C2)CCCC1 ZINC000054655358 173337551 /nfs/dbraw/zinc/33/75/51/173337551.db2.gz FDCBWDSWORGWQM-JTQLQIEISA-N 1 0 231.361 1.201 10 0 BDAERO C[NH2+]CCC(=O)OCc1ccccc1C ZINC000077300299 173342048 /nfs/dbraw/zinc/34/20/48/173342048.db2.gz OBJJCRZWEMEFFF-UHFFFAOYSA-N 1 0 207.273 1.648 10 0 BDAERO C[NH2+]CCC(=O)OCc1cccc(Cl)c1 ZINC000077341850 173342085 /nfs/dbraw/zinc/34/20/85/173342085.db2.gz BBQCWXAQHHEDAU-UHFFFAOYSA-N 1 0 227.691 1.993 10 0 BDAERO C[NH2+]CCC(=O)OCc1c[nH]c2ccccc12 ZINC000077362879 173342124 /nfs/dbraw/zinc/34/21/24/173342124.db2.gz YOWVLPIBCZERIR-UHFFFAOYSA-N 1 0 232.283 1.821 10 0 BDAERO C[NH2+]CCCC(=O)N(Cc1ccco1)C1CC1 ZINC000037806130 173343370 /nfs/dbraw/zinc/34/33/70/173343370.db2.gz QVNSLRUBNAYODF-UHFFFAOYSA-N 1 0 236.315 1.770 10 0 BDAERO C[NH2+]CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000121534883 173348455 /nfs/dbraw/zinc/34/84/55/173348455.db2.gz PHIIEIUTBAIXTF-KGLIPLIRSA-N 1 0 246.354 1.824 10 0 BDAERO C[NH2+]CCCOCc1ccc2c(c1)CC(=O)N2C ZINC000077423663 173349401 /nfs/dbraw/zinc/34/94/01/173349401.db2.gz SIQXWSVNKIXCSB-UHFFFAOYSA-N 1 0 248.326 1.332 10 0 BDAERO C[NH2+]CCCNCc1cccc(C)c1F ZINC000083346354 173350156 /nfs/dbraw/zinc/35/01/56/173350156.db2.gz CQJCDMSURWHYBD-UHFFFAOYSA-N 1 0 210.296 1.833 10 0 BDAERO C[NH2+]CCCn1cc(Br)ccc1=O ZINC000042410010 173351353 /nfs/dbraw/zinc/35/13/53/173351353.db2.gz LOJAJNQWVLEXPK-UHFFFAOYSA-N 1 0 245.120 1.220 10 0 BDAERO C[NH2+]CCN(C)c1cc(OC)c(C)cc1OC ZINC000107291296 173353977 /nfs/dbraw/zinc/35/39/77/173353977.db2.gz OGPGBVZYEKRRST-UHFFFAOYSA-N 1 0 238.331 1.668 10 0 BDAERO C[NH2+]CCN1c2ccc(Cl)cc2C(=O)C1=O ZINC000042409915 173354444 /nfs/dbraw/zinc/35/44/44/173354444.db2.gz QTHGRWJCHOAYSZ-UHFFFAOYSA-N 1 0 238.674 1.089 10 0 BDAERO C[NH2+]CCOCCc1ccc2nc(C)oc2c1 ZINC000077369306 173357151 /nfs/dbraw/zinc/35/71/51/173357151.db2.gz RJOXVYNYNWPSAU-UHFFFAOYSA-N 1 0 234.299 1.915 10 0 BDAERO C[NH2+]CCOc1nccc2sccc21 ZINC000051866613 173357364 /nfs/dbraw/zinc/35/73/64/173357364.db2.gz AHRAMXVFAFGVEN-UHFFFAOYSA-N 1 0 208.286 1.895 10 0 BDAERO C[NH2+]CC[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000049820064 173358167 /nfs/dbraw/zinc/35/81/67/173358167.db2.gz DEJVHJUQDQEHGY-SNVBAGLBSA-N 1 0 225.288 1.347 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1ccc(F)cc1 ZINC000077340123 173358746 /nfs/dbraw/zinc/35/87/46/173358746.db2.gz WVNNRMXRBCYXNQ-LBPRGKRZSA-N 1 0 226.295 1.232 10 0 BDAERO C[NH2+]CC[C@H](O)CN(C)c1ccc(Cl)cc1 ZINC000077391695 173359178 /nfs/dbraw/zinc/35/91/78/173359178.db2.gz RMFRQBIYKXXZTC-LBPRGKRZSA-N 1 0 242.750 1.747 10 0 BDAERO C[NH2+]CCc1ccc(OC)c(OC)c1OC ZINC000034224300 173359618 /nfs/dbraw/zinc/35/96/18/173359618.db2.gz AAFDMAAXSJVSCP-UHFFFAOYSA-N 1 0 225.288 1.474 10 0 BDAERO C[NH2+]CCc1ccc2c(c1)OCCCO2 ZINC000055231282 173360337 /nfs/dbraw/zinc/36/03/37/173360337.db2.gz INEKFUPAMHZDCA-UHFFFAOYSA-N 1 0 207.273 1.610 10 0 BDAERO C[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000061641367 173360396 /nfs/dbraw/zinc/36/03/96/173360396.db2.gz NUTRSZHLBOGFIC-UHFFFAOYSA-N 1 0 201.273 1.634 10 0 BDAERO C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000041623422 173361188 /nfs/dbraw/zinc/36/11/88/173361188.db2.gz ABYHKRXVZIHSQR-UHFFFAOYSA-N 1 0 219.313 1.967 10 0 BDAERO C[NH2+]CCc1nnc(-c2cccc(F)c2)o1 ZINC000050619468 173361609 /nfs/dbraw/zinc/36/16/09/173361609.db2.gz JZHNWSYDJJUDHE-UHFFFAOYSA-N 1 0 221.235 1.638 10 0 BDAERO C[NH2+]CCc1nncn1C1CCCCC1 ZINC000054526677 173361703 /nfs/dbraw/zinc/36/17/03/173361703.db2.gz HEZAFZMMOLUKOM-UHFFFAOYSA-N 1 0 208.309 1.545 10 0 BDAERO C[NH2+]C[C@@H](C)Cn1nnc2ccccc21 ZINC000052576808 173364311 /nfs/dbraw/zinc/36/43/11/173364311.db2.gz HMRHDNAGJSTVMF-SECBINFHSA-N 1 0 204.277 1.287 10 0 BDAERO C[NH2+]C[C@@H](C)c1c(C)nc(CCOC)nc1C ZINC000054854739 173364990 /nfs/dbraw/zinc/36/49/90/173364990.db2.gz DNTKTEZRKADPFB-SECBINFHSA-N 1 0 237.347 1.605 10 0 BDAERO C[NH2+]C[C@@H](C)Oc1cnc2ccccc2n1 ZINC000052018275 173365212 /nfs/dbraw/zinc/36/52/12/173365212.db2.gz BCHPUUCGTMLJPK-SECBINFHSA-N 1 0 217.272 1.617 10 0 BDAERO C[NH2+]C[C@@H](O)COc1cc(C)c(Cl)c(C)c1 ZINC000032101471 173365587 /nfs/dbraw/zinc/36/55/87/173365587.db2.gz UGBGKYKUVSAFRC-SNVBAGLBSA-N 1 0 243.734 1.916 10 0 BDAERO C[NH2+]C[C@@H](O)CSCc1ccccc1 ZINC000019865103 173365732 /nfs/dbraw/zinc/36/57/32/173365732.db2.gz JNCWGIDWWMPKQZ-LLVKDONJSA-N 1 0 211.330 1.500 10 0 BDAERO C[NH2+]C[C@@H](O)c1ccc(OC)c(OC(C)C)c1 ZINC000033468626 173366121 /nfs/dbraw/zinc/36/61/21/173366121.db2.gz DLKNHOSIRXEJPF-LLVKDONJSA-N 1 0 239.315 1.735 10 0 BDAERO C[NH2+]C[C@@H](c1ccccc1)N1CCOC[C@@H]1C ZINC000052476119 173367208 /nfs/dbraw/zinc/36/72/08/173367208.db2.gz ACXRBWYRRGDCMS-JSGCOSHPSA-N 1 0 234.343 1.668 10 0 BDAERO C[NH2+]C[C@@H]1CCCN1c1ncccc1C ZINC000053703571 173369748 /nfs/dbraw/zinc/36/97/48/173369748.db2.gz JGONTJHMJRCKIE-NSHDSACASA-N 1 0 205.305 1.578 10 0 BDAERO C[NH2+]C[C@@H]1CCN(c2cnn(C(C)C)c2)C1 ZINC000061683442 173371006 /nfs/dbraw/zinc/37/10/06/173371006.db2.gz BFAVHMQFDMIXMG-NSHDSACASA-N 1 0 222.336 1.510 10 0 BDAERO C[NH2+]C[C@@](C)(O)Cc1ccccc1Cl ZINC000019684514 173372538 /nfs/dbraw/zinc/37/25/38/173372538.db2.gz MQWIMSJEFSSRRN-NSHDSACASA-N 1 0 213.708 1.853 10 0 BDAERO C[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000052419055 173376075 /nfs/dbraw/zinc/37/60/75/173376075.db2.gz GMGAUUKKGRUTJF-NSHDSACASA-N 1 0 204.317 1.653 10 0 BDAERO C[NH2+]C[C@H](O)CN(C)c1ccccc1C(C)C ZINC000077373137 173376360 /nfs/dbraw/zinc/37/63/60/173376360.db2.gz LYWSMNRWZFWRCW-LBPRGKRZSA-N 1 0 236.359 1.827 10 0 BDAERO C[NH2+]C[C@H](O)Cc1c(F)cccc1Cl ZINC000041230761 173377069 /nfs/dbraw/zinc/37/70/69/173377069.db2.gz HKQWKJXAOOQAEX-SSDOTTSWSA-N 1 0 217.671 1.602 10 0 BDAERO C[NH2+]C[C@H](O)c1cnc2ccccc2c1 ZINC000071494372 173377409 /nfs/dbraw/zinc/37/74/09/173377409.db2.gz TUIPVDABRXGPHU-LBPRGKRZSA-N 1 0 202.257 1.488 10 0 BDAERO C[NH2+]C[C@H]1CCCN1Cc1cn2ccccc2n1 ZINC000042390294 173380819 /nfs/dbraw/zinc/38/08/19/173380819.db2.gz HZVVCVGPDSFNFD-CYBMUJFWSA-N 1 0 244.342 1.518 10 0 BDAERO C[NH2+]C[C@H]1CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000011891963 173381888 /nfs/dbraw/zinc/38/18/88/173381888.db2.gz KNMCIJBWPXFAAJ-GFCCVEGCSA-N 1 0 248.326 1.457 10 0 BDAERO C[NH2+]C[C@H]1CN(CCc2cccs2)CCO1 ZINC000071550247 173382787 /nfs/dbraw/zinc/38/27/87/173382787.db2.gz BMFWCHNBUYEHLE-NSHDSACASA-N 1 0 240.372 1.211 10 0 BDAERO C[NH2+]Cc1c(C)nn(C)c1N(C)C(C)C ZINC000034823800 173384064 /nfs/dbraw/zinc/38/40/64/173384064.db2.gz UMYPRCIWDTXMIJ-UHFFFAOYSA-N 1 0 210.325 1.293 10 0 BDAERO C[NH2+]Cc1c(C)nc(N2CCCC2)nc1C ZINC000054854070 173384447 /nfs/dbraw/zinc/38/44/47/173384447.db2.gz HPDZQPDFNBYEGO-UHFFFAOYSA-N 1 0 220.320 1.413 10 0 BDAERO C[NH2+]Cc1c(C)nn(CCn2cccn2)c1C ZINC000049326223 173384733 /nfs/dbraw/zinc/38/47/33/173384733.db2.gz OSTFXONWLYGGBU-UHFFFAOYSA-N 1 0 233.319 1.116 10 0 BDAERO C[NH2+]Cc1cc(Br)cnc1N(C)C ZINC000051436869 173386428 /nfs/dbraw/zinc/38/64/28/173386428.db2.gz JFMRTDUPTDUVOV-UHFFFAOYSA-N 1 0 244.136 1.630 10 0 BDAERO C[NH2+]Cc1cc(Cn2ccnc2C)c(C)o1 ZINC000052576204 173386777 /nfs/dbraw/zinc/38/67/77/173386777.db2.gz HGGXUZVHRGAFEP-UHFFFAOYSA-N 1 0 219.288 1.861 10 0 BDAERO C[NH2+]Cc1cc(CN2CCOC[C@H]2C)oc1C ZINC000052475802 173387627 /nfs/dbraw/zinc/38/76/27/173387627.db2.gz FGCZMKXHDKOTKK-SNVBAGLBSA-N 1 0 238.331 1.528 10 0 BDAERO C[NH2+]Cc1ccccc1O[C@H](C)C(=O)NC1CC1 ZINC000034658292 173390365 /nfs/dbraw/zinc/39/03/65/173390365.db2.gz RHXGGVJCVBOPAA-SNVBAGLBSA-N 1 0 248.326 1.452 10 0 BDAERO C[NH2+]Cc1ccccc1NC(=O)c1ccnn1C ZINC000036903161 173390464 /nfs/dbraw/zinc/39/04/64/173390464.db2.gz MZYKXUVXHSWCHR-UHFFFAOYSA-N 1 0 244.298 1.392 10 0 BDAERO C[NH2+]Cc1ccccc1N1CCC[C@H]1CO ZINC000042433183 173390558 /nfs/dbraw/zinc/39/05/58/173390558.db2.gz LEGQPIAPUAMCSA-LBPRGKRZSA-N 1 0 220.316 1.367 10 0 BDAERO C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000076792918 173391461 /nfs/dbraw/zinc/39/14/61/173391461.db2.gz JRFQVVRNXXNVOA-UHFFFAOYSA-N 1 0 240.104 1.816 10 0 BDAERO C[NH2+]Cc1cnc(Cc2ccncc2)nc1 ZINC000054855550 173392284 /nfs/dbraw/zinc/39/22/84/173392284.db2.gz YBXZLHAOHDDMFT-UHFFFAOYSA-N 1 0 214.272 1.182 10 0 BDAERO C[NH2+]Cc1cnn([C@@H]2CCCC[C@@H]2O)c1C ZINC000054600029 173394028 /nfs/dbraw/zinc/39/40/28/173394028.db2.gz RCBRWZGIRBEIAQ-NEPJUHHUSA-N 1 0 223.320 1.387 10 0 BDAERO C[NH2+]Cc1nc(-n2ccnc2)ccc1Cl ZINC000051489924 173394324 /nfs/dbraw/zinc/39/43/24/173394324.db2.gz CHXILZLKSHKOKL-UHFFFAOYSA-N 1 0 222.679 1.640 10 0 BDAERO C[NH2+]Cc1nnc(-c2cccc(F)c2F)o1 ZINC000054215367 173397465 /nfs/dbraw/zinc/39/74/65/173397465.db2.gz FCIIBZYLWQDLCH-UHFFFAOYSA-N 1 0 225.198 1.734 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H](C)c1cccc(F)c1 ZINC000054747607 173398230 /nfs/dbraw/zinc/39/82/30/173398230.db2.gz DIYZZWYODBEVQE-QMMMGPOBSA-N 1 0 235.266 1.141 10 0 BDAERO C[NH2+]Cc1nnnn1[C@H]1CCC[C@@H](C)C1 ZINC000054745226 173398875 /nfs/dbraw/zinc/39/88/75/173398875.db2.gz DECPRZHLHCSMKE-BDAKNGLRSA-N 1 0 209.297 1.144 10 0 BDAERO C[NH2+]Cc1nnnn1[C@@H](C)c1cccs1 ZINC000054746176 173398963 /nfs/dbraw/zinc/39/89/63/173398963.db2.gz ZYHODPGWZNZTQB-ZETCQYMHSA-N 1 0 223.305 1.063 10 0 BDAERO C[NH2+]Cc1nnnn1Cc1cccc(Cl)c1 ZINC000054746591 173399124 /nfs/dbraw/zinc/39/91/24/173399124.db2.gz QHDKSRFHIHHKFI-UHFFFAOYSA-N 1 0 237.694 1.094 10 0 BDAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1cccc(F)c1 ZINC000054076208 173413595 /nfs/dbraw/zinc/41/35/95/173413595.db2.gz GGWNBIHLCHXRTL-BDAKNGLRSA-N 1 0 224.279 1.611 10 0 BDAERO C[NH2+][C@@H](C)Cc1ccc2c(c1O)OCO2 ZINC000255966844 173416111 /nfs/dbraw/zinc/41/61/11/173416111.db2.gz CIIZMYSXHIFBQO-ZETCQYMHSA-N 1 0 209.245 1.271 10 0 BDAERO C[NH2+][C@@H](C)Cc1cn2cc(C)sc2n1 ZINC000076789928 173416133 /nfs/dbraw/zinc/41/61/33/173416133.db2.gz NQOVBMGPBRSXCN-ZETCQYMHSA-N 1 0 209.318 1.855 10 0 BDAERO C[NH2+][C@@H]1CC[S@@](=O)c2c(C)cccc21 ZINC000040988669 173438357 /nfs/dbraw/zinc/43/83/57/173438357.db2.gz PKFVIOCJBDXQJL-YGRLFVJLSA-N 1 0 209.314 1.767 10 0 BDAERO C[NH2+][C@H](CO)COc1c(C)cccc1C ZINC000071511929 173452530 /nfs/dbraw/zinc/45/25/30/173452530.db2.gz DEYFDZNFKGSAKX-LLVKDONJSA-N 1 0 209.289 1.263 10 0 BDAERO C[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000048627830 173454193 /nfs/dbraw/zinc/45/41/93/173454193.db2.gz AVSNCUBRTNXDFY-DGCLKSJQSA-N 1 0 223.291 1.993 10 0 BDAERO CNc1cc(CN(C)CC[NH+]2CCCC2)ccn1 ZINC000063053419 173473947 /nfs/dbraw/zinc/47/39/47/173473947.db2.gz UOUDOIFRYIWLGD-UHFFFAOYSA-N 1 0 248.374 1.651 10 0 BDAERO CNc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000082639940 173478998 /nfs/dbraw/zinc/47/89/98/173478998.db2.gz SQJFVBXXIVLKIE-UHFFFAOYSA-N 1 0 205.305 1.134 10 0 BDAERO COC(=O)C12CC3C[C@H](C1)C([NH3+])[C@@H](C3)C2 ZINC000059202736 173516860 /nfs/dbraw/zinc/51/68/60/173516860.db2.gz IXBLQWDWMIYKKE-UFRKCTDVSA-N 1 0 209.289 1.313 10 0 BDAERO COC(=O)NCCCCCCCC[NH3+] ZINC000028110731 173657999 /nfs/dbraw/zinc/65/79/99/173657999.db2.gz SQIAUKSMMMXRPP-UHFFFAOYSA-N 1 0 202.298 1.642 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H](c2cccc(C)c2)C1 ZINC000082162771 173823565 /nfs/dbraw/zinc/82/35/65/173823565.db2.gz VEBBMGIECHEYLT-CHWSQXEVSA-N 1 0 233.311 1.861 10 0 BDAERO CC(C)(C)c1cc(NC(=O)[C@H]2CC[NH2+]C2)n[nH]1 ZINC000228344727 487627850 /nfs/dbraw/zinc/62/78/50/487627850.db2.gz WIEKJVKXJBCFSL-QMMMGPOBSA-N 1 0 236.319 1.255 10 0 BDAERO COC(=O)c1ccccc1N(C)CCC[NH3+] ZINC000070131020 173899260 /nfs/dbraw/zinc/89/92/60/173899260.db2.gz INELBHRIONWBOL-UHFFFAOYSA-N 1 0 222.288 1.258 10 0 BDAERO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000011754459 173899492 /nfs/dbraw/zinc/89/94/92/173899492.db2.gz CUFCKQMDVKQGCU-NSHDSACASA-N 1 0 248.282 1.164 10 0 BDAERO COC1(C[NH2+]CCn2cc(C)cn2)CCCC1 ZINC000336661434 174002076 /nfs/dbraw/zinc/00/20/76/174002076.db2.gz SPUCGTUUWUKSOB-UHFFFAOYSA-N 1 0 237.347 1.740 10 0 BDAERO COC1(C[NH2+]C[C@@H]2CCC[C@@H]2O)CCCC1 ZINC000309439594 174002088 /nfs/dbraw/zinc/00/20/88/174002088.db2.gz IDOMKQAWFSYUKA-RYUDHWBXSA-N 1 0 227.348 1.696 10 0 BDAERO COC1CC([NH2+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000335596453 174018560 /nfs/dbraw/zinc/01/85/60/174018560.db2.gz AVRLNCFIJQBGNQ-XNWIYYODSA-N 1 0 221.304 1.034 10 0 BDAERO COC1CCN(C(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)CC1 ZINC000037266865 174027386 /nfs/dbraw/zinc/02/73/86/174027386.db2.gz FNTIBQWEOJSAIJ-PWSUYJOCSA-N 1 0 240.347 1.154 10 0 BDAERO COCCCC[NH2+]C[C@](C)(O)c1ccccc1 ZINC000052098538 174201127 /nfs/dbraw/zinc/20/11/27/174201127.db2.gz ZYENUYHUKQAPSO-AWEZNQCLSA-N 1 0 237.343 1.910 10 0 BDAERO COCCCN(C)[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000062029363 174220173 /nfs/dbraw/zinc/22/01/73/174220173.db2.gz ZAMMLKNKEKZJGM-WCQYABFASA-N 1 0 237.347 1.438 10 0 BDAERO COCCCN(CCOC)C[C@@H]1CCCC[NH2+]1 ZINC000042425408 174223605 /nfs/dbraw/zinc/22/36/05/174223605.db2.gz XLGIKNTZSWTQKB-ZDUSSCGKSA-N 1 0 244.379 1.113 10 0 BDAERO COCCCN1C[C@@H](C(C)C)[NH2+]C[C@H]1C ZINC000082926505 174234605 /nfs/dbraw/zinc/23/46/05/174234605.db2.gz IUSIGDBZYOVVPW-NEPJUHHUSA-N 1 0 214.353 1.341 10 0 BDAERO COCCCNC(=O)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000049282787 174239196 /nfs/dbraw/zinc/23/91/96/174239196.db2.gz DKSANYSXOCONKO-NWDGAFQWSA-N 1 0 242.363 1.307 10 0 BDAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037264763 174244674 /nfs/dbraw/zinc/24/46/74/174244674.db2.gz MCGSFEUCPFYUAP-RYUDHWBXSA-N 1 0 244.379 1.552 10 0 BDAERO COCCC[NH2+]C[C@@H](C)N(C)Cc1ccoc1 ZINC000053497062 174246842 /nfs/dbraw/zinc/24/68/42/174246842.db2.gz IEQOYOSCYBBLFU-GFCCVEGCSA-N 1 0 240.347 1.726 10 0 BDAERO COCCCOc1ccc(CC[NH3+])cc1OC ZINC000037754271 174256756 /nfs/dbraw/zinc/25/67/56/174256756.db2.gz HHKVVVKCKQZAIR-UHFFFAOYSA-N 1 0 239.315 1.612 10 0 BDAERO COCCC[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000179293666 174263258 /nfs/dbraw/zinc/26/32/58/174263258.db2.gz OISUPBXCSBFOFJ-LBPRGKRZSA-N 1 0 225.336 1.596 10 0 BDAERO COCCC[C@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000309038900 174263946 /nfs/dbraw/zinc/26/39/46/174263946.db2.gz JWSCFUCEKHTVGX-FIQHERPVSA-N 1 0 213.321 1.284 10 0 BDAERO COCCN(C(=O)CCC[NH2+]C(C)C)C1CC1 ZINC000037814671 174268148 /nfs/dbraw/zinc/26/81/48/174268148.db2.gz SUTZBOPGBSRUNY-UHFFFAOYSA-N 1 0 242.363 1.402 10 0 BDAERO COCCN(C)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000042458932 174281909 /nfs/dbraw/zinc/28/19/09/174281909.db2.gz GIIZPBBOTYQFSM-NWDGAFQWSA-N 1 0 214.353 1.615 10 0 BDAERO COCCN(C)[C@@H](C[NH3+])c1ccccc1F ZINC000041247223 174281982 /nfs/dbraw/zinc/28/19/82/174281982.db2.gz JFDMOZYVCPWSBJ-LBPRGKRZSA-N 1 0 226.295 1.404 10 0 BDAERO COCCN(C)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042909049 174282412 /nfs/dbraw/zinc/28/24/12/174282412.db2.gz XKPMODRQQCTNOT-TZMCWYRMSA-N 1 0 236.359 1.962 10 0 BDAERO COCCN(C)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966994 174283099 /nfs/dbraw/zinc/28/30/99/174283099.db2.gz GSCQXZZOGRFDJA-TZMCWYRMSA-N 1 0 236.359 1.962 10 0 BDAERO COCCN(C)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000042458934 174284269 /nfs/dbraw/zinc/28/42/69/174284269.db2.gz GIIZPBBOTYQFSM-RYUDHWBXSA-N 1 0 214.353 1.615 10 0 BDAERO COCCN(C[C@@H]1CCCC[NH2+]1)[C@H](C)COC ZINC000042610851 174297193 /nfs/dbraw/zinc/29/71/93/174297193.db2.gz PNIJBHBDNLGDQD-OLZOCXBDSA-N 1 0 244.379 1.112 10 0 BDAERO COCCN(C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518135 174297508 /nfs/dbraw/zinc/29/75/08/174297508.db2.gz XOTHLDJZGOXCLX-CQSZACIVSA-N 1 0 234.343 1.797 10 0 BDAERO COCCN(c1ccc(C[NH3+])cn1)[C@@H](C)C1CC1 ZINC000042613779 174301985 /nfs/dbraw/zinc/30/19/85/174301985.db2.gz ZCNXTPYCGDTTDO-NSHDSACASA-N 1 0 249.358 1.792 10 0 BDAERO COCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105895420 174307330 /nfs/dbraw/zinc/30/73/30/174307330.db2.gz ZZIXLJVMGFOUPH-GFCCVEGCSA-N 1 0 237.347 1.820 10 0 BDAERO COCCN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC000062617232 174311730 /nfs/dbraw/zinc/31/17/30/174311730.db2.gz PYIULOKCDLDBJS-CQSZACIVSA-N 1 0 234.343 1.149 10 0 BDAERO COCC[NH2+]C[C@@H](O)c1ccc2c(c1)CCC2 ZINC000049827501 174334894 /nfs/dbraw/zinc/33/48/94/174334894.db2.gz WXXRTVQYDZGLAJ-CQSZACIVSA-N 1 0 235.327 1.445 10 0 BDAERO COCC[NH2+]C[C@H](O)c1ccc2c(c1)CCCC2 ZINC000049837353 174335132 /nfs/dbraw/zinc/33/51/32/174335132.db2.gz RCBRTFOHTXGMGK-HNNXBMFYSA-N 1 0 249.354 1.835 10 0 BDAERO COCC[NH2+]Cc1cnn(-c2ccccc2)c1C ZINC000082660264 174335358 /nfs/dbraw/zinc/33/53/58/174335358.db2.gz FGVCCROZMGQEGW-UHFFFAOYSA-N 1 0 245.326 1.917 10 0 BDAERO COCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000053292368 174339846 /nfs/dbraw/zinc/33/98/46/174339846.db2.gz YYDQARVHXNFNRF-LLVKDONJSA-N 1 0 229.707 1.609 10 0 BDAERO COCCNc1cccc(F)c1CC[NH3+] ZINC000071518536 174341536 /nfs/dbraw/zinc/34/15/36/174341536.db2.gz UCPPNOIERLLFST-UHFFFAOYSA-N 1 0 212.268 1.385 10 0 BDAERO COCCOCCOc1ccc(CC[NH3+])cc1 ZINC000037050925 174359855 /nfs/dbraw/zinc/35/98/55/174359855.db2.gz UWGMWZKWJFFUNU-UHFFFAOYSA-N 1 0 239.315 1.230 10 0 BDAERO COCCOc1cc(C[C@@H](C)[NH3+])ccc1OC ZINC000037728107 174367830 /nfs/dbraw/zinc/36/78/30/174367830.db2.gz UIUZOOFKEUPWBV-SNVBAGLBSA-N 1 0 239.315 1.610 10 0 BDAERO COCCOc1ccc([C@H](C)C[NH3+])cc1 ZINC000071511775 174369074 /nfs/dbraw/zinc/36/90/74/174369074.db2.gz BKCLTFHUQLUGCR-SNVBAGLBSA-N 1 0 209.289 1.774 10 0 BDAERO COCC[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336769660 174408215 /nfs/dbraw/zinc/40/82/15/174408215.db2.gz SEOAUQYCYYGWJN-UWVGGRQHSA-N 1 0 228.336 1.058 10 0 BDAERO COC[C@@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000308911957 174457830 /nfs/dbraw/zinc/45/78/30/174457830.db2.gz DXZLYDWWGUTAIY-MNOVXSKESA-N 1 0 213.321 1.428 10 0 BDAERO COC[C@H](C)N(C)C(=O)[C@@H]1[C@H](C)CCC[C@H]1[NH3+] ZINC000055137499 174536058 /nfs/dbraw/zinc/53/60/58/174536058.db2.gz DCXHAQUFETXBCA-WRWGMCAJSA-N 1 0 242.363 1.243 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CC1(C)C ZINC000225811270 487628569 /nfs/dbraw/zinc/62/85/69/487628569.db2.gz ZOCHKBTVIFWYNW-ZJUUUORDSA-N 1 0 212.337 1.522 10 0 BDAERO COc1c(C[NH2+]CC[C@H](C)F)c(C)nn1C ZINC000339485352 174928587 /nfs/dbraw/zinc/92/85/87/174928587.db2.gz OLYZLOZIPUGHQH-QMMMGPOBSA-N 1 0 229.299 1.575 10 0 BDAERO COc1cc(C)c(C)cc1CC[NH2+]CCO ZINC000098124841 174956075 /nfs/dbraw/zinc/95/60/75/174956075.db2.gz FWYHRPVNPVKLES-UHFFFAOYSA-N 1 0 223.316 1.436 10 0 BDAERO COc1cc(C)c(CCOCC[NH3+])cc1C ZINC000057952740 174958110 /nfs/dbraw/zinc/95/81/10/174958110.db2.gz PPURUMVRBOPDQE-UHFFFAOYSA-N 1 0 223.316 1.830 10 0 BDAERO COc1cc(C)ccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104214797 174968747 /nfs/dbraw/zinc/96/87/47/174968747.db2.gz ITBDKJWPAIBTNI-MNOVXSKESA-N 1 0 248.326 1.798 10 0 BDAERO COc1cc(OC)c(OC)c2c1CC[C@@H]2[NH3+] ZINC000019727495 175007234 /nfs/dbraw/zinc/00/72/34/175007234.db2.gz JNMJLIDCOKUSEE-QMMMGPOBSA-N 1 0 223.272 1.658 10 0 BDAERO COc1cc(OC)c([C@H](O)[C@H](C)[NH3+])cc1OC ZINC000020216891 175008019 /nfs/dbraw/zinc/00/80/19/175008019.db2.gz QWACFKIEVKCELK-JVXZTZIISA-N 1 0 241.287 1.093 10 0 BDAERO COc1cc([C@@H]2C[C@H]2[NH3+])c(OC)cc1C ZINC000027625183 175014960 /nfs/dbraw/zinc/01/49/60/175014960.db2.gz HYVPPECPQRBJEQ-WCBMZHEXSA-N 1 0 207.273 1.827 10 0 BDAERO COc1cc2ccnc(C[NH3+])c2cc1OC ZINC000082766563 175027439 /nfs/dbraw/zinc/02/74/39/175027439.db2.gz ZLNGTZKCSHOENO-UHFFFAOYSA-N 1 0 218.256 1.711 10 0 BDAERO COc1ccc(-c2c[nH]c(CC[NH3+])n2)cc1F ZINC000036876265 175030283 /nfs/dbraw/zinc/03/02/83/175030283.db2.gz COUWWVOVTNFVSQ-UHFFFAOYSA-N 1 0 235.262 1.726 10 0 BDAERO COc1ccc(-c2n[nH]c(CC[NH3+])n2)cc1C ZINC000082546574 175039143 /nfs/dbraw/zinc/03/91/43/175039143.db2.gz DKMNOWBJHKHZRS-UHFFFAOYSA-N 1 0 232.287 1.290 10 0 BDAERO COc1ccc(-c2nnc(CC[NH3+])o2)cc1 ZINC000011585777 175041883 /nfs/dbraw/zinc/04/18/83/175041883.db2.gz MOTWQBUYGUAOCV-UHFFFAOYSA-N 1 0 219.244 1.246 10 0 BDAERO COc1ccc(Br)c([C@@H](O)C[NH3+])c1 ZINC000082309930 175051432 /nfs/dbraw/zinc/05/14/32/175051432.db2.gz WWJUEGRYOLISTM-VIFPVBQESA-N 1 0 246.104 1.450 10 0 BDAERO COc1ccc(C(=O)CCC[NH3+])cc1OC ZINC000074367683 175053799 /nfs/dbraw/zinc/05/37/99/175053799.db2.gz DUZCVLJBQOGTTA-UHFFFAOYSA-N 1 0 223.272 1.625 10 0 BDAERO COc1ccc(C)cc1C(=O)[C@H]1CCC[NH2+]1 ZINC000011630668 175074111 /nfs/dbraw/zinc/07/41/11/175074111.db2.gz UXKDCDXYMUXREK-LLVKDONJSA-N 1 0 219.284 1.938 10 0 BDAERO COc1ccc(C)cc1C[C@H](O)[C@H]1CCC[NH2+]C1 ZINC000041303871 175076837 /nfs/dbraw/zinc/07/68/37/175076837.db2.gz KJRQXICHFCRWSW-JSGCOSHPSA-N 1 0 249.354 1.907 10 0 BDAERO COc1ccc(C)cc1Cn1cnc(C[NH3+])c1 ZINC000071535315 175077047 /nfs/dbraw/zinc/07/70/47/175077047.db2.gz KAQYBJLONXAYHB-UHFFFAOYSA-N 1 0 231.299 1.707 10 0 BDAERO COc1ccc(C)cc1NC[C@@H](O)CC[NH3+] ZINC000071531772 175078485 /nfs/dbraw/zinc/07/84/85/175078485.db2.gz XLDCHZSMUMWDQR-JTQLQIEISA-N 1 0 224.304 1.125 10 0 BDAERO COc1ccc(C2(O)CC[NH2+]CC2)cc1F ZINC000055261791 175084715 /nfs/dbraw/zinc/08/47/15/175084715.db2.gz HYOBSGBRPAWLRF-UHFFFAOYSA-N 1 0 225.263 1.405 10 0 BDAERO COc1ccc(C=O)c(OCC[NH+](C)C)c1 ZINC000011952570 175086392 /nfs/dbraw/zinc/08/63/92/175086392.db2.gz SFLLGCQYLKKZQS-UHFFFAOYSA-N 1 0 223.272 1.448 10 0 BDAERO COc1ccc(CC(=O)[C@H](C)[NH3+])cc1F ZINC000082373634 175087295 /nfs/dbraw/zinc/08/72/95/175087295.db2.gz YEHBNJQQSLDCPO-ZETCQYMHSA-N 1 0 211.236 1.293 10 0 BDAERO COc1ccc(CCN(C)CC[NH3+])cc1F ZINC000077340137 175089762 /nfs/dbraw/zinc/08/97/62/175089762.db2.gz SEAZWSSDHHGRHF-UHFFFAOYSA-N 1 0 226.295 1.267 10 0 BDAERO COc1ccc(CC[C@@H](O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000071570610 175092391 /nfs/dbraw/zinc/09/23/91/175092391.db2.gz YHICMLDLEZQIJT-UKRRQHHQSA-N 1 0 249.354 1.988 10 0 BDAERO COc1ccc(CC[C@](C)([NH3+])c2ncon2)cc1 ZINC000037846600 175093788 /nfs/dbraw/zinc/09/37/88/175093788.db2.gz JGANBNSGBMWFHY-ZDUSSCGKSA-N 1 0 247.298 1.885 10 0 BDAERO COc1ccc(C[NH3+])cc1Cn1ccnc1C ZINC000016942092 175097506 /nfs/dbraw/zinc/09/75/06/175097506.db2.gz OMJSJWBHIMOXHI-UHFFFAOYSA-N 1 0 231.299 1.707 10 0 BDAERO COc1ccc(COC[C@@H](C)[NH3+])cc1OC ZINC000098124980 175113535 /nfs/dbraw/zinc/11/35/35/175113535.db2.gz QBVZAMADXSYVJT-SECBINFHSA-N 1 0 225.288 1.568 10 0 BDAERO COc1ccc(COC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000040430373 175113674 /nfs/dbraw/zinc/11/36/74/175113674.db2.gz DMGZLVNYEGGGLS-LBPRGKRZSA-N 1 0 235.283 1.490 10 0 BDAERO COc1ccc(C[C@@H](O)C[NH2+]C2CC2)cc1 ZINC000071523040 175115983 /nfs/dbraw/zinc/11/59/83/175115983.db2.gz ZRSLZHTXZHPOCE-GFCCVEGCSA-N 1 0 221.300 1.351 10 0 BDAERO COc1ccc(C[C@@](O)(C[NH3+])C(C)C)cc1F ZINC000096988162 175116556 /nfs/dbraw/zinc/11/65/56/175116556.db2.gz AMQJKODZQSEZTQ-CYBMUJFWSA-N 1 0 241.306 1.723 10 0 BDAERO COc1ccc(C[C@H]([NH3+])[C@@H]2CCOC2)cc1 ZINC000048627527 175117297 /nfs/dbraw/zinc/11/72/97/175117297.db2.gz SOEYODRPVBQSDW-YPMHNXCESA-N 1 0 221.300 1.602 10 0 BDAERO COc1ccc(C[C@H]([NH3+])Cc2cnn(C)c2)cc1 ZINC000050543028 175117350 /nfs/dbraw/zinc/11/73/50/175117350.db2.gz VXRULQABFBUMTE-ZDUSSCGKSA-N 1 0 245.326 1.541 10 0 BDAERO COc1ccc(Cl)c([C@@H]([NH3+])CO)c1 ZINC000072197910 175119017 /nfs/dbraw/zinc/11/90/17/175119017.db2.gz UBUDBAHCBYOKOS-VIFPVBQESA-N 1 0 201.653 1.341 10 0 BDAERO COc1ccc(Cl)cc1[C@@H](O)[C@@H](C)[NH3+] ZINC000071519483 175121605 /nfs/dbraw/zinc/12/16/05/175121605.db2.gz DRRDLGZGYCBXDX-LDWIPMOCSA-N 1 0 215.680 1.729 10 0 BDAERO COc1ccc(F)cc1CC[NH2+][C@@H](C)CO ZINC000098125071 175129085 /nfs/dbraw/zinc/12/90/85/175129085.db2.gz WVISOKXJGFBQPI-VIFPVBQESA-N 1 0 227.279 1.347 10 0 BDAERO COc1ccc(F)cc1[C@@H](O)[C@@H]1CCC[NH2+]C1 ZINC000036164240 175133486 /nfs/dbraw/zinc/13/34/86/175133486.db2.gz XBPYLMJYMGDSMM-RNCFNFMXSA-N 1 0 239.290 1.867 10 0 BDAERO COc1ccc(F)cc1[C@H]([NH3+])CN(C)C ZINC000071518532 175134840 /nfs/dbraw/zinc/13/48/40/175134840.db2.gz XHEUDJAXQGYEBR-SNVBAGLBSA-N 1 0 212.268 1.396 10 0 BDAERO COc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1C ZINC000049531923 175139325 /nfs/dbraw/zinc/13/93/25/175139325.db2.gz KCIYSJSBRJEDBO-VIFPVBQESA-N 1 0 220.272 1.068 10 0 BDAERO COc1ccc(NC(=O)C[C@H](C)[NH3+])cc1O ZINC000037476623 175142423 /nfs/dbraw/zinc/14/24/23/175142423.db2.gz DJIDAVQMCLHRAX-ZETCQYMHSA-N 1 0 224.260 1.077 10 0 BDAERO COc1ccc(NC(=O)[C@H](C)[NH+](C)C)c(N)c1 ZINC000022209697 175146615 /nfs/dbraw/zinc/14/66/15/175146615.db2.gz WWLLLMPLBDWWTC-QMMMGPOBSA-N 1 0 237.303 1.166 10 0 BDAERO COc1ccc(NC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000041270943 175151718 /nfs/dbraw/zinc/15/17/18/175151718.db2.gz DYEZVJLSIGRJLB-SNVBAGLBSA-N 1 0 236.315 1.868 10 0 BDAERO COc1ccc(N[C@@H]2CC[N@H+](C)C2)cc1O ZINC000061988548 175154033 /nfs/dbraw/zinc/15/40/33/175154033.db2.gz PBIQGVVFVDKCRG-SNVBAGLBSA-N 1 0 222.288 1.517 10 0 BDAERO COc1ccc(N[C@@H]2CC[N@H+](C)C2)cc1F ZINC000061984966 175154297 /nfs/dbraw/zinc/15/42/97/175154297.db2.gz NLVHQAXLBSBLHQ-SNVBAGLBSA-N 1 0 224.279 1.950 10 0 BDAERO COc1ccc(N[C@H]2CCC[NH2+]C2)cc1F ZINC000043325429 175155699 /nfs/dbraw/zinc/15/56/99/175155699.db2.gz ATPIQFHURSRLML-JTQLQIEISA-N 1 0 224.279 1.998 10 0 BDAERO COc1ccc(OC)c(COC[C@@H](C)[NH3+])c1 ZINC000098124982 175166239 /nfs/dbraw/zinc/16/62/39/175166239.db2.gz GBHYLVBCGUXKPA-SECBINFHSA-N 1 0 225.288 1.568 10 0 BDAERO COc1ccc(OC)c(C[C@H](C[NH3+])N(C)C)c1 ZINC000041280506 175166268 /nfs/dbraw/zinc/16/62/68/175166268.db2.gz QSIUVUUKTDZPDG-LLVKDONJSA-N 1 0 238.331 1.135 10 0 BDAERO COc1ccc(OC)c([C@@H]([NH3+])[C@H](C)O)c1 ZINC000041225491 175168313 /nfs/dbraw/zinc/16/83/13/175168313.db2.gz QSYILIJZAXMABN-CPCISQLKSA-N 1 0 211.261 1.084 10 0 BDAERO COc1ccc(OC)c([C@@H]2OC[C@H](C[NH3+])O2)c1 ZINC000049829553 175168345 /nfs/dbraw/zinc/16/83/45/175168345.db2.gz AAOXQQYYZFSPAK-JOYOIKCWSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc(SC[C@@H](O)C[NH3+])cc1OC ZINC000019686776 175175005 /nfs/dbraw/zinc/17/50/05/175175005.db2.gz MMHOLINIOZMGJJ-QMMMGPOBSA-N 1 0 243.328 1.116 10 0 BDAERO COc1ccc(SC[C@H](O)CC[NH3+])c(C)c1 ZINC000019687086 175175428 /nfs/dbraw/zinc/17/54/28/175175428.db2.gz NMQOXOIZKYFYKY-SNVBAGLBSA-N 1 0 241.356 1.805 10 0 BDAERO COc1ccc([C@@H](C)[NH3+])cc1CS(C)(=O)=O ZINC000054930130 175176412 /nfs/dbraw/zinc/17/64/12/175176412.db2.gz XOPFIRYTMONZCW-MRVPVSSYSA-N 1 0 243.328 1.260 10 0 BDAERO COc1ccc([C@@H]([NH3+])CCO)c(OC)c1 ZINC000019784060 175179821 /nfs/dbraw/zinc/17/98/21/175179821.db2.gz RNKAGOYJCGTSSR-JTQLQIEISA-N 1 0 211.261 1.086 10 0 BDAERO COc1ccc([C@@H]2[NH2+]CC[C@@H]2CO)cc1 ZINC000051971735 175184997 /nfs/dbraw/zinc/18/49/97/175184997.db2.gz MMRCYRSNAOYMIJ-PWSUYJOCSA-N 1 0 207.273 1.338 10 0 BDAERO COc1ccc([C@@](C)([NH3+])CN(C)C)cc1 ZINC000035619745 175186066 /nfs/dbraw/zinc/18/60/66/175186066.db2.gz UJTISQDEUODREI-LBPRGKRZSA-N 1 0 208.305 1.431 10 0 BDAERO COc1ccc([C@H](N)C[NH3+])cc1OC(F)F ZINC000035677047 175191721 /nfs/dbraw/zinc/19/17/21/175191721.db2.gz RSWKNDUBTXWMDG-SSDOTTSWSA-N 1 0 232.230 1.255 10 0 BDAERO COc1ccc([C@H]2NC(=O)CC[C@H]2[NH3+])cc1F ZINC000076684429 175197642 /nfs/dbraw/zinc/19/76/42/175197642.db2.gz ZXHLTXCQKZQFBR-BXKDBHETSA-N 1 0 238.262 1.113 10 0 BDAERO COc1ccc([C@H]2OC[C@@H](C[NH3+])O2)c(OC)c1 ZINC000049829562 175199456 /nfs/dbraw/zinc/19/94/56/175199456.db2.gz ASRLYLSQFUDLJL-SKDRFNHKSA-N 1 0 239.271 1.077 10 0 BDAERO COc1ccc2[nH]cc(C[NH+](C)C)c2n1 ZINC000030678228 175203280 /nfs/dbraw/zinc/20/32/80/175203280.db2.gz XPGRQQYMQLDFFX-UHFFFAOYSA-N 1 0 205.261 1.633 10 0 BDAERO COc1ccc2c(c1)CCC[C@H]2N1CC[NH2+]CC1 ZINC000038086601 175207878 /nfs/dbraw/zinc/20/78/78/175207878.db2.gz LVKJITASZUWOSD-OAHLLOKOSA-N 1 0 246.354 1.978 10 0 BDAERO COc1ccc2c(c1)CC[C@H]([C@@](C)([NH3+])CO)C2 ZINC000082048709 175209495 /nfs/dbraw/zinc/20/94/95/175209495.db2.gz YCVMPDYGRXBACL-JSGCOSHPSA-N 1 0 235.327 1.510 10 0 BDAERO COc1ccc2c(c1)CC[C@@H]([NH2+]CCO)C2 ZINC000029556579 175210000 /nfs/dbraw/zinc/21/00/00/175210000.db2.gz OWJHZDHNMQVOOK-GFCCVEGCSA-N 1 0 221.300 1.134 10 0 BDAERO COc1ccc2c(c1)[C@@H]1C[NH2+]CCN1CC2 ZINC000091688859 175215541 /nfs/dbraw/zinc/21/55/41/175215541.db2.gz OVPXDHPMDMRHSY-ZDUSSCGKSA-N 1 0 218.300 1.198 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])C[C@H](C)S2(=O)=O ZINC000035752286 175216168 /nfs/dbraw/zinc/21/61/68/175216168.db2.gz JSCBVYJVWQPYIY-OIBJUYFYSA-N 1 0 241.312 1.261 10 0 BDAERO COc1ccc2c(c1)[C@H]([NH3+])CC[S@]2=O ZINC000040975686 175216490 /nfs/dbraw/zinc/21/64/90/175216490.db2.gz JVZIPCQTAZJMBH-OTYXRUKQSA-N 1 0 211.286 1.206 10 0 BDAERO COc1ccc2c(c1)[C@H]1C[NH2+]CCN1CC2 ZINC000019788457 175217518 /nfs/dbraw/zinc/21/75/18/175217518.db2.gz OVPXDHPMDMRHSY-CYBMUJFWSA-N 1 0 218.300 1.198 10 0 BDAERO COc1ccc2cnn(C[C@H](C)[NH3+])c2c1 ZINC000013679046 175226896 /nfs/dbraw/zinc/22/68/96/175226896.db2.gz WSEWULCWBQDNEH-QMMMGPOBSA-N 1 0 205.261 1.392 10 0 in-vivo BDAERO COc1cccc(-c2ccc(C[NH3+])c(=O)[nH]2)c1 ZINC000043404324 175234757 /nfs/dbraw/zinc/23/47/57/175234757.db2.gz SBNNYSWZYKFBFR-UHFFFAOYSA-N 1 0 230.267 1.509 10 0 BDAERO COc1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170863596 175243718 /nfs/dbraw/zinc/24/37/18/175243718.db2.gz PFKCRCZKJGCOIU-LBPRGKRZSA-N 1 0 248.326 1.471 10 0 BDAERO COc1cccc(CCN(C)C(=O)CC[NH3+])c1 ZINC000041270998 175251817 /nfs/dbraw/zinc/25/18/17/175251817.db2.gz XUPRCFKKMJAIKU-UHFFFAOYSA-N 1 0 236.315 1.045 10 0 BDAERO COc1cccc(CN2CCC[NH2+]CC2=O)c1 ZINC000071544004 175258799 /nfs/dbraw/zinc/25/87/99/175258799.db2.gz QGWADPLLCCKDKA-UHFFFAOYSA-N 1 0 234.299 1.017 10 0 BDAERO COc1cccc(C[C@@H]2C[NH2+]CC[C@H]2O)c1 ZINC000071522985 175271584 /nfs/dbraw/zinc/27/15/84/175271584.db2.gz WMSRQUZBKIYXOX-DGCLKSJQSA-N 1 0 221.300 1.208 10 0 BDAERO COc1cccc(C[C@@H](O)C[NH2+]C2CC2)c1 ZINC000071523030 175271732 /nfs/dbraw/zinc/27/17/32/175271732.db2.gz MGCZAELWMVCWAU-GFCCVEGCSA-N 1 0 221.300 1.351 10 0 BDAERO COc1cccc(C[C@H](O)[C@@H]2CCC[NH2+]2)c1 ZINC000041237416 175272303 /nfs/dbraw/zinc/27/23/03/175272303.db2.gz NRVZQOILCITYFS-STQMWFEESA-N 1 0 221.300 1.351 10 0 BDAERO COc1cccc(C[C@H]([NH3+])c2cnn(C)c2C)c1 ZINC000096984316 175272533 /nfs/dbraw/zinc/27/25/33/175272533.db2.gz KPGNTARYQPRZDM-AWEZNQCLSA-N 1 0 245.326 1.980 10 0 BDAERO COc1cccc(N2CC[NH2+][C@@H](C)CC2)c1 ZINC000049661763 175274890 /nfs/dbraw/zinc/27/48/90/175274890.db2.gz FJRGXWNQPHCUTI-NSHDSACASA-N 1 0 220.316 1.883 10 0 BDAERO COc1cccc(N(C)C[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000104216477 175275200 /nfs/dbraw/zinc/27/52/00/175275200.db2.gz XKBQEONELQFXLJ-RYUDHWBXSA-N 1 0 234.343 1.987 10 0 BDAERO COc1cccc(OC)c1O[C@@H](C)CC[NH3+] ZINC000041042693 175282757 /nfs/dbraw/zinc/28/27/57/175282757.db2.gz MIHREFHGCYWPBG-VIFPVBQESA-N 1 0 225.288 1.820 10 0 BDAERO COc1cccc([C@@H](O)[C@@H]2CCC[NH2+]C2)c1 ZINC000041237657 175289604 /nfs/dbraw/zinc/28/96/04/175289604.db2.gz XTLARVBEZDSNIR-DGCLKSJQSA-N 1 0 221.300 1.728 10 0 BDAERO COc1cccc([C@H]([NH3+])c2cncnc2)c1 ZINC000052886905 175295208 /nfs/dbraw/zinc/29/52/08/175295208.db2.gz OAYIKZBLAITDOD-LBPRGKRZSA-N 1 0 215.256 1.533 10 0 BDAERO COc1cccc([C@H](O)[C@H]2CCC[NH2+]C2)c1 ZINC000041237660 175295338 /nfs/dbraw/zinc/29/53/38/175295338.db2.gz XTLARVBEZDSNIR-AAEUAGOBSA-N 1 0 221.300 1.728 10 0 BDAERO COc1cccc([C@]2(O)CC[N@@H+](C3CC3)C2)c1 ZINC000061988459 175297734 /nfs/dbraw/zinc/29/77/34/175297734.db2.gz LHVADWVZAVGRJA-AWEZNQCLSA-N 1 0 233.311 1.751 10 0 BDAERO COc1cccc2[nH]cc([C@@H]3C[C@H]3[NH3+])c21 ZINC000013782224 175298020 /nfs/dbraw/zinc/29/80/20/175298020.db2.gz SVXXIYYEEVIKRL-IONNQARKSA-N 1 0 202.257 1.991 10 0 BDAERO COc1cccc2c([C@@H](O)C[NH3+])c[nH]c21 ZINC000071487881 175299705 /nfs/dbraw/zinc/29/97/05/175299705.db2.gz MKEGVGQWAJTPCT-VIFPVBQESA-N 1 0 206.245 1.169 10 0 BDAERO COc1cccc2c1S(=O)(=O)C[C@@H](C)[C@@H]2[NH3+] ZINC000041030816 175304660 /nfs/dbraw/zinc/30/46/60/175304660.db2.gz RXEMWPVYLZDJGI-XCBNKYQSSA-N 1 0 241.312 1.118 10 0 BDAERO COc1cccc2c1S(=O)(=O)CCC[C@@H]2[NH3+] ZINC000041030806 175305197 /nfs/dbraw/zinc/30/51/97/175305197.db2.gz WMOXPYHKYSGIQG-VIFPVBQESA-N 1 0 241.312 1.263 10 0 BDAERO COc1ccccc1C(=O)N(C)C[C@H](C)C[NH3+] ZINC000042454903 175316180 /nfs/dbraw/zinc/31/61/80/175316180.db2.gz HSNMVHQUTIYZQZ-SNVBAGLBSA-N 1 0 236.315 1.362 10 0 BDAERO COc1ccccc1CN1C[C@H](C[NH3+])CC1=O ZINC000019669340 175328796 /nfs/dbraw/zinc/32/87/96/175328796.db2.gz LYLRZJYCNBGFDV-JTQLQIEISA-N 1 0 234.299 1.002 10 0 BDAERO COc1ccccc1COCC(C)(C)[NH3+] ZINC000070837972 175332025 /nfs/dbraw/zinc/33/20/25/175332025.db2.gz AELJNNDNAUFRLT-UHFFFAOYSA-N 1 0 209.289 1.949 10 0 BDAERO COc1ccccc1C[C@@H]([NH3+])c1cnn(C)c1 ZINC000036723670 175332549 /nfs/dbraw/zinc/33/25/49/175332549.db2.gz PJNDNUAZQRVZMD-GFCCVEGCSA-N 1 0 231.299 1.671 10 0 BDAERO COc1ccccc1C[C@](C)(CN)[NH2+]C(C)C ZINC000050271017 175333441 /nfs/dbraw/zinc/33/34/41/175333441.db2.gz IHMIFTWMDXWZMZ-CQSZACIVSA-N 1 0 236.359 1.953 10 0 BDAERO COc1ccccc1C[C@H]([NH3+])[C@H]1CCOC1 ZINC000048627570 175333493 /nfs/dbraw/zinc/33/34/93/175333493.db2.gz YXDNEVXTSXVVRP-RYUDHWBXSA-N 1 0 221.300 1.602 10 0 BDAERO COc1ccccc1C[C@H]([NH3+])[C@H]1CCCOC1 ZINC000062237057 175333775 /nfs/dbraw/zinc/33/37/75/175333775.db2.gz SMZBYAWNLGMSCF-STQMWFEESA-N 1 0 235.327 1.992 10 0 BDAERO COc1ccccc1C[C@]1(O)CC[N@@H+](C2CC2)C1 ZINC000061988057 175334202 /nfs/dbraw/zinc/33/42/02/175334202.db2.gz IJJLOAQHIGTBEM-OAHLLOKOSA-N 1 0 247.338 1.837 10 0 BDAERO COc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104213045 175337161 /nfs/dbraw/zinc/33/71/61/175337161.db2.gz HWMNDGALMXTIPD-UWVGGRQHSA-N 1 0 234.299 1.489 10 0 BDAERO COc1ccccc1OCCCC(N)=[NH2+] ZINC000019513055 175340389 /nfs/dbraw/zinc/34/03/89/175340389.db2.gz MVVYOHICNVEHFO-UHFFFAOYSA-N 1 0 208.261 1.790 10 0 BDAERO COc1ccccc1[C@@H](CC[NH3+])C(=O)NC1CC1 ZINC000076633733 175345674 /nfs/dbraw/zinc/34/56/74/175345674.db2.gz RMDSYOUKFMHZDO-GFCCVEGCSA-N 1 0 248.326 1.406 10 0 BDAERO COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C ZINC000043096928 175347136 /nfs/dbraw/zinc/34/71/36/175347136.db2.gz FFTFVDJCTSTFSW-BXKDBHETSA-N 1 0 208.305 1.645 10 0 BDAERO COc1ccccc1[C@@H]([NH3+])c1cnn(C)c1 ZINC000034957668 175347834 /nfs/dbraw/zinc/34/78/34/175347834.db2.gz CTMRHDFMATYSCW-LBPRGKRZSA-N 1 0 217.272 1.477 10 0 BDAERO COc1ccccc1[C@H]([NH3+])CN1CCCCC1=O ZINC000020296313 175353425 /nfs/dbraw/zinc/35/34/25/175353425.db2.gz NCRACAFFULAXSY-GFCCVEGCSA-N 1 0 248.326 1.708 10 0 BDAERO COc1ccccc1[C@H]([C@H](C)[NH3+])n1cncn1 ZINC000043098648 175354313 /nfs/dbraw/zinc/35/43/13/175354313.db2.gz CNTHLEGRAIADMK-CABZTGNLSA-N 1 0 232.287 1.223 10 0 BDAERO COc1ccccc1[S@](=O)C[C@H]1CCC[NH2+]1 ZINC000083319619 175356225 /nfs/dbraw/zinc/35/62/25/175356225.db2.gz HXEBXKFYQSXKNX-HWPZZCPQSA-N 1 0 239.340 1.555 10 0 BDAERO COc1ccnc(C[NH2+]CC(C)C)c1OC ZINC000058824390 175360347 /nfs/dbraw/zinc/36/03/47/175360347.db2.gz KTVRIQUGAULNRC-UHFFFAOYSA-N 1 0 224.304 1.844 10 0 BDAERO COc1ccnc(N2CCC[C@H]2CCC[NH3+])n1 ZINC000104324461 175362746 /nfs/dbraw/zinc/36/27/46/175362746.db2.gz LNHYHUCHJWMDCX-SNVBAGLBSA-N 1 0 236.319 1.193 10 0 BDAERO COc1cncc(N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000035904903 175386708 /nfs/dbraw/zinc/38/67/08/175386708.db2.gz UGDSYGHDYFSOJQ-CYBMUJFWSA-N 1 0 233.315 1.423 10 0 BDAERO COc1nc(NC[C@H]2CC[N@H+](C)C2)ccc1N ZINC000037645778 175396053 /nfs/dbraw/zinc/39/60/53/175396053.db2.gz WRIXPYLNIDEBQC-SECBINFHSA-N 1 0 236.319 1.036 10 0 BDAERO COc1nc2ccccc2nc1N[C@@H]1CC[NH2+]C1 ZINC000095071676 175397239 /nfs/dbraw/zinc/39/72/39/175397239.db2.gz ZPXNYGORQPUFKY-SECBINFHSA-N 1 0 244.298 1.412 10 0 BDAERO CSCCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235032202 175466635 /nfs/dbraw/zinc/46/66/35/175466635.db2.gz UGJZPVDSNXPRPN-VHSXEESVSA-N 1 0 230.377 1.325 10 0 BDAERO CSCCC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038049028 175468466 /nfs/dbraw/zinc/46/84/66/175468466.db2.gz CEMGEPIKQAWFDP-DTWKUNHWSA-N 1 0 216.350 1.126 10 0 BDAERO C[C@@H](C(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000032013299 175629359 /nfs/dbraw/zinc/62/93/59/175629359.db2.gz AWBQVSAJERVHPH-NSHDSACASA-N 1 0 218.300 1.163 10 0 BDAERO C[C@@H](C[NH3+])n1cc(Cl)cc(Cl)c1=O ZINC000057834343 175714081 /nfs/dbraw/zinc/71/40/81/175714081.db2.gz XFNOHYFFFBJBCE-YFKPBYRVSA-N 1 0 221.087 1.675 10 0 BDAERO C[C@@H]([NH3+])Cc1nc2c(cccc2F)n1C ZINC000037442522 175808165 /nfs/dbraw/zinc/80/81/65/175808165.db2.gz SMNGFVUYSJMYRU-SSDOTTSWSA-N 1 0 207.252 1.602 10 0 BDAERO C[C@@H]([NH3+])[C@@H](Sc1nnnn1C)c1ccccc1 ZINC000042904432 175809774 /nfs/dbraw/zinc/80/97/74/175809774.db2.gz QENPXWWBFKFMGM-PSASIEDQSA-N 1 0 249.343 1.391 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccsc1)N1CCCOCC1 ZINC000061914452 175813188 /nfs/dbraw/zinc/81/31/88/175813188.db2.gz IWRPCPDXRZNUGJ-ZYHUDNBSSA-N 1 0 240.372 1.859 10 0 BDAERO C[C@@H]([NH3+])[C@H](c1ccccc1F)n1ccnc1 ZINC000043046103 175813756 /nfs/dbraw/zinc/81/37/56/175813756.db2.gz QVKUNSPSFRCSIT-BXKDBHETSA-N 1 0 219.263 1.959 10 0 BDAERO C[C@@H](NC(=O)C1([NH3+])CCCCC1)c1cccnc1 ZINC000035692167 175825551 /nfs/dbraw/zinc/82/55/51/175825551.db2.gz FWQSCEPOVJIHEA-LLVKDONJSA-N 1 0 247.342 1.920 10 0 BDAERO C[C@@H](NC(=O)[C@H]([NH3+])C(C)(C)C)c1cccnc1 ZINC000161106783 175845494 /nfs/dbraw/zinc/84/54/94/175845494.db2.gz STMKVUJBGPLYPE-KOLCDFICSA-N 1 0 235.331 1.632 10 0 BDAERO C[C@@H]([NH2+][C@H]1CCCCNC1=O)C1(C)CC1 ZINC000036977070 175924275 /nfs/dbraw/zinc/92/42/75/175924275.db2.gz SGMBLXMOOWWVGM-ZJUUUORDSA-N 1 0 210.321 1.433 10 0 BDAERO C[C@@H](OC(=O)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000062132537 176001859 /nfs/dbraw/zinc/00/18/59/176001859.db2.gz ICRINWYVXVTFLS-PWSUYJOCSA-N 1 0 219.284 1.900 10 0 BDAERO C[C@@H](Oc1ccc(C[NH3+])cc1)C(=O)N(C)C ZINC000020386300 176003811 /nfs/dbraw/zinc/00/38/11/176003811.db2.gz ZFZXBRRRTUYMOR-SECBINFHSA-N 1 0 222.288 1.001 10 0 BDAERO C[C@@H](Oc1cccc(N)c1)C1=[NH+]CCN1 ZINC000027704933 176005061 /nfs/dbraw/zinc/00/50/61/176005061.db2.gz YGOMUSUVXCIYMV-MRVPVSSYSA-N 1 0 205.261 1.038 10 0 BDAERO C[C@@H](Sc1ccccc1)C(=O)NCC[NH3+] ZINC000237362532 176009815 /nfs/dbraw/zinc/00/98/15/176009815.db2.gz HOQIVMQITSLUHB-SECBINFHSA-N 1 0 224.329 1.242 10 0 BDAERO C[C@@H]1CCCC[C@@]1([NH3+])CCS(C)(=O)=O ZINC000053753670 176083564 /nfs/dbraw/zinc/08/35/64/176083564.db2.gz ZFXMLCTVYPWEJL-NXEZZACHSA-N 1 0 219.350 1.329 10 0 BDAERO C[C@@H]1CCCC[C@]1([NH2+]C1CCCC1)C(N)=O ZINC000037968716 176091272 /nfs/dbraw/zinc/09/12/72/176091272.db2.gz AZAXBEUFYSBJKR-ZWNOBZJWSA-N 1 0 224.348 1.953 10 0 BDAERO C[C@@H](C(=O)N1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000129028327 176094642 /nfs/dbraw/zinc/09/46/42/176094642.db2.gz YBXRIUGRLRCFHR-NXEZZACHSA-N 1 0 210.321 1.100 10 0 BDAERO C[C@@H]1CCCN(c2ccc(C(N)=[NH2+])cn2)CC1 ZINC000104353472 176102949 /nfs/dbraw/zinc/10/29/49/176102949.db2.gz NNHXSUMVVMMPJH-SNVBAGLBSA-N 1 0 232.331 1.992 10 0 BDAERO C[C@@H]1CCCN1C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050948096 176104539 /nfs/dbraw/zinc/10/45/39/176104539.db2.gz QNMRWIAIINLYGS-NEPJUHHUSA-N 1 0 224.348 1.920 10 0 BDAERO C[C@@H]1CCC[C@@H](C(=O)NC2CCCC2)[NH2+]1 ZINC000019470188 176112324 /nfs/dbraw/zinc/11/23/24/176112324.db2.gz OOFBZCDPSSPNRC-KOLCDFICSA-N 1 0 210.321 1.576 10 0 BDAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CCOCC1(C)C ZINC000051793462 176112614 /nfs/dbraw/zinc/11/26/14/176112614.db2.gz QFTSMECKMPGCMH-GHMZBOCLSA-N 1 0 240.347 1.012 10 0 BDAERO C[C@@H]1CCC[C@H](C(=O)NCCc2ccccc2)[NH2+]1 ZINC000019489230 176135506 /nfs/dbraw/zinc/13/55/06/176135506.db2.gz ZSMNEQFSTJZPHA-TZMCWYRMSA-N 1 0 246.354 1.876 10 0 BDAERO C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C[NH3+])cn1 ZINC000104216749 176149773 /nfs/dbraw/zinc/14/97/73/176149773.db2.gz YCTFLGSMIPAYHT-MWLCHTKSSA-N 1 0 233.315 1.459 10 0 BDAERO C[C@@H]1CCC[C@](C[NH3+])(NC(=O)NC(C)(C)C)C1 ZINC000104306740 176152299 /nfs/dbraw/zinc/15/22/99/176152299.db2.gz VYALAPRAQAXMJZ-MFKMUULPSA-N 1 0 241.379 1.992 10 0 BDAERO C[C@@H]1CCCc2sc([C@H]([NH3+])CO)nc21 ZINC000083347072 176153745 /nfs/dbraw/zinc/15/37/45/176153745.db2.gz PWOKJKKMZPCGSD-RNFRBKRXSA-N 1 0 212.318 1.575 10 0 BDAERO C[C@@H]1CCN(C(=O)C[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000235325797 176156588 /nfs/dbraw/zinc/15/65/88/176156588.db2.gz IBAFEAYTMRASGG-IJLUTSLNSA-N 1 0 240.347 1.141 10 0 BDAERO C[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000157381636 176159613 /nfs/dbraw/zinc/15/96/13/176159613.db2.gz IHKKAOJTJQTPOF-GMTAPVOTSA-N 1 0 236.315 1.926 10 0 BDAERO C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)[C@@H](CN)C1 ZINC000235314925 176172316 /nfs/dbraw/zinc/17/23/16/176172316.db2.gz MCJZERUFSMBANZ-FRRDWIJNSA-N 1 0 226.364 1.472 10 0 BDAERO C[C@@H]1CCN(Cc2cncc(F)c2)[C@@H](C[NH3+])C1 ZINC000235341506 176178216 /nfs/dbraw/zinc/17/82/16/176178216.db2.gz LGTSNXQFPJGQOC-ZWNOBZJWSA-N 1 0 237.322 1.780 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)N(C)C2CCCC2)C[NH2+]1 ZINC000037092992 176194806 /nfs/dbraw/zinc/19/48/06/176194806.db2.gz ZYDKALNJBWZMGC-GHMZBOCLSA-N 1 0 224.348 1.776 10 0 BDAERO C[C@@H]1CC[C@@H](C(=O)NCC(F)(F)F)C[NH2+]1 ZINC000019437324 176195791 /nfs/dbraw/zinc/19/57/91/176195791.db2.gz RUUQGGKRTVGJRL-RNFRBKRXSA-N 1 0 224.226 1.053 10 0 BDAERO C[C@@H]1CC[C@@H](CN2CCCOC2=O)C[NH2+]1 ZINC000062037656 176204422 /nfs/dbraw/zinc/20/44/22/176204422.db2.gz YFESOCKGHZFWMR-NXEZZACHSA-N 1 0 212.293 1.217 10 0 BDAERO C[C@@H]1CC[C@@H](OCC(=O)N2CCCCC2)C[NH2+]1 ZINC000050211415 176215328 /nfs/dbraw/zinc/21/53/28/176215328.db2.gz LWSZYPMCAHWDJC-VXGBXAGGSA-N 1 0 240.347 1.156 10 0 BDAERO C[C@@H]1CC[C@H](C(=O)N2CCCCCC2)C[NH2+]1 ZINC000019515601 176220138 /nfs/dbraw/zinc/22/01/38/176220138.db2.gz ZFKZWJJTEJGEKI-NEPJUHHUSA-N 1 0 224.348 1.777 10 0 BDAERO C[C@@H]1CN(C(=O)CC(F)(F)F)C[C@@]1(C)C[NH3+] ZINC000309213817 176244184 /nfs/dbraw/zinc/24/41/84/176244184.db2.gz UJOBWGALQZPUKC-VXNVDRBHSA-N 1 0 238.253 1.382 10 0 BDAERO C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000055086029 176255041 /nfs/dbraw/zinc/25/50/41/176255041.db2.gz FJLNNBJNDMKNNG-KKOKHZNYSA-N 1 0 240.347 1.140 10 0 BDAERO C[C@@H]1CN(C2(C[NH3+])CCSCC2)[C@H](C)CO1 ZINC000042335056 176280765 /nfs/dbraw/zinc/28/07/65/176280765.db2.gz CLJIHOLECLOZOH-GHMZBOCLSA-N 1 0 244.404 1.320 10 0 BDAERO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000125384256 176282323 /nfs/dbraw/zinc/28/23/23/176282323.db2.gz QWDXHNGZDJWCBY-WFFHOREQSA-N 1 0 224.348 1.236 10 0 BDAERO C[C@@H]1C[N@H+](CC2(O)CCC2)CC(C)(C)O1 ZINC000336554212 176284215 /nfs/dbraw/zinc/28/42/15/176284215.db2.gz HDBFCMKQFCFODO-SNVBAGLBSA-N 1 0 213.321 1.401 10 0 BDAERO C[C@@H]1CN(CC[NH2+]C2CCCC2)CCCO1 ZINC000061934595 176291230 /nfs/dbraw/zinc/29/12/30/176291230.db2.gz PKXACQYOJDTCCN-GFCCVEGCSA-N 1 0 226.364 1.629 10 0 BDAERO C[C@@H]1C[N@H+](CCc2ccccc2N)[C@H](C)CO1 ZINC000052918298 176293731 /nfs/dbraw/zinc/29/37/31/176293731.db2.gz WZGSBBQALNKGCA-VXGBXAGGSA-N 1 0 234.343 1.921 10 0 BDAERO C[C@@H]1CN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])[C@H](C)CO1 ZINC000035784218 176316299 /nfs/dbraw/zinc/31/62/99/176316299.db2.gz YMEHFDGAGVTCCR-FKGLVLAHSA-N 1 0 246.354 1.720 10 0 BDAERO C[C@@H]1CN(c2cccc(F)n2)C[C@@H]1[NH+](C)C ZINC000123986236 176319806 /nfs/dbraw/zinc/31/98/06/176319806.db2.gz OSTRXTMNDQWAPE-ZJUUUORDSA-N 1 0 223.295 1.607 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1 ZINC000247062601 176322469 /nfs/dbraw/zinc/32/24/69/176322469.db2.gz HIVYGXCZJGPJGL-OCCSQVGLSA-N 1 0 244.338 1.995 10 0 BDAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ccccn1 ZINC000083550857 176323126 /nfs/dbraw/zinc/32/31/26/176323126.db2.gz OIZOOTMMVCQNAW-UKRRQHHQSA-N 1 0 245.370 1.793 10 0 BDAERO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCO2)S1 ZINC000035295109 176324570 /nfs/dbraw/zinc/32/45/70/176324570.db2.gz CPQBLBAHGQWOLK-SFYZADRCSA-N 1 0 200.307 1.246 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000104207848 176328719 /nfs/dbraw/zinc/32/87/19/176328719.db2.gz YKTMXELUAKDPKL-SKDRFNHKSA-N 1 0 246.310 1.416 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccncc1 ZINC000019801273 176328914 /nfs/dbraw/zinc/32/89/14/176328914.db2.gz CXCRXSKMNDVOBS-GHMZBOCLSA-N 1 0 205.305 1.264 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H](CCc2ccccc2)O1 ZINC000071478868 176329028 /nfs/dbraw/zinc/32/90/28/176329028.db2.gz VVJFPDWCAJDRJH-YPMHNXCESA-N 1 0 205.301 1.996 10 0 BDAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1c(F)cccc1F ZINC000104204976 176329537 /nfs/dbraw/zinc/32/95/37/176329537.db2.gz DRRBPGSVZXHYMG-SFYZADRCSA-N 1 0 240.253 1.759 10 0 BDAERO C[C@@H]1COCCN1C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881599 176334799 /nfs/dbraw/zinc/33/47/99/176334799.db2.gz VNQOPLVKNFRVFT-RISCZKNCSA-N 1 0 248.326 1.108 10 0 BDAERO C[C@@H]1COC[C@@H](C)N1CCC[NH+]1CCCCC1 ZINC000125254619 176345759 /nfs/dbraw/zinc/34/57/59/176345759.db2.gz QZIRUEVQAUUNTG-ZIAGYGMSSA-N 1 0 240.391 1.972 10 0 BDAERO C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H](O)Cc1ccccc1 ZINC000246963793 176346614 /nfs/dbraw/zinc/34/66/14/176346614.db2.gz KSYNZMYEBHYVBD-NFAWXSAZSA-N 1 0 249.354 1.699 10 0 BDAERO C[C@@H]1COC[C@@H](C)N1CC[NH+]1CCCCC1 ZINC000120904066 176347107 /nfs/dbraw/zinc/34/71/07/176347107.db2.gz NXFWTBJTVIZPDL-CHWSQXEVSA-N 1 0 226.364 1.582 10 0 BDAERO C[C@@H]1CSC(NC[C@@H]2CCOC2)=[NH+]1 ZINC000061147021 176348832 /nfs/dbraw/zinc/34/88/32/176348832.db2.gz BSJBWVPYEFWKHO-SFYZADRCSA-N 1 0 200.307 1.104 10 0 BDAERO C[C@@H]1CSC(NC[C@@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000044538326 176348976 /nfs/dbraw/zinc/34/89/76/176348976.db2.gz LHHKXIFFQPXGAT-ZJUUUORDSA-N 1 0 227.377 1.409 10 0 BDAERO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000309459267 176355815 /nfs/dbraw/zinc/35/58/15/176355815.db2.gz OJKPMMPBZKTJSK-GMTAPVOTSA-N 1 0 247.404 1.504 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])c2cc(F)ccc2S1(=O)=O ZINC000035752149 176371807 /nfs/dbraw/zinc/37/18/07/176371807.db2.gz UIEFIKBLNDSABP-HZGVNTEJSA-N 1 0 229.276 1.391 10 0 BDAERO C[C@@H]1C[C@@H]([NH3+])c2cc(F)c(F)cc2S1(=O)=O ZINC000035752345 176371992 /nfs/dbraw/zinc/37/19/92/176371992.db2.gz KXEUVTSQHOWDEV-MLUIRONXSA-N 1 0 247.266 1.531 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)CCO1 ZINC000300395811 176424544 /nfs/dbraw/zinc/42/45/44/176424544.db2.gz KCZIJQWLNRXMCR-YVECIDJPSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000336781319 176455349 /nfs/dbraw/zinc/45/53/49/176455349.db2.gz UIQKQMOBINTSOR-TUAOUCFPSA-N 1 0 222.332 1.599 10 0 BDAERO C[C@@]([NH3+])(CO)c1ccc(F)c(Cl)c1 ZINC000038124638 176512104 /nfs/dbraw/zinc/51/21/04/176512104.db2.gz WOSRPDVXQREJAP-SECBINFHSA-N 1 0 203.644 1.645 10 0 BDAERO C[C@@](O)(C[NH3+])CCOc1ccccc1F ZINC000019668180 176516082 /nfs/dbraw/zinc/51/60/82/176516082.db2.gz DSANBTNGVHBIFQ-NSHDSACASA-N 1 0 213.252 1.304 10 0 BDAERO C[C@H](C(=O)N1CCCCC[C@H]1C)C1C[NH2+]C1 ZINC000129261375 176561918 /nfs/dbraw/zinc/56/19/18/176561918.db2.gz FVCCGEKZIQNIDA-MNOVXSKESA-N 1 0 224.348 1.633 10 0 BDAERO C[C@H](CCC[NH3+])C(=O)N1CCc2ccccc2C1 ZINC000076631711 176620470 /nfs/dbraw/zinc/62/04/70/176620470.db2.gz ZVQCMSSQHJSPAW-GFCCVEGCSA-N 1 0 246.354 1.946 10 0 BDAERO C[C@H](C[NH3+])COc1ccc(F)cc1F ZINC000036678319 176659403 /nfs/dbraw/zinc/65/94/03/176659403.db2.gz QHDNRHKAXRRMQD-SSDOTTSWSA-N 1 0 201.216 1.938 10 0 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1.773 10 0 BDAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ncc[nH]1 ZINC000668866280 487679664 /nfs/dbraw/zinc/67/96/64/487679664.db2.gz OHCNBUIMGQEPSK-WDEREUQCSA-N 1 0 248.330 1.109 10 0 BDAERO OC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000383899657 487680781 /nfs/dbraw/zinc/68/07/81/487680781.db2.gz NMMSBPISHOILGM-HZSPNIEDSA-N 1 0 241.375 1.774 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1OC ZINC000054074647 487681760 /nfs/dbraw/zinc/68/17/60/487681760.db2.gz ZAXUJKZRNNTXTI-SECBINFHSA-N 1 0 222.288 1.550 10 0 BDAERO CCC[NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1 ZINC000233093882 487690316 /nfs/dbraw/zinc/69/03/16/487690316.db2.gz XVERLVSYBSBRPV-WCQYABFASA-N 1 0 237.347 1.980 10 0 BDAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1nc(C)ns1 ZINC000163208787 487697150 /nfs/dbraw/zinc/69/71/50/487697150.db2.gz LURRJPPOLDRGMX-IYSWYEEDSA-N 1 0 228.321 1.158 10 0 BDAERO Cc1cnc(N2CC[C@](C)(C[NH3+])C2)nc1C ZINC000395321364 262786228 /nfs/dbraw/zinc/78/62/28/262786228.db2.gz MOAZGTWJHPCRER-GFCCVEGCSA-N 1 0 220.320 1.269 10 0 BDAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1nccs1 ZINC000396563354 262806202 /nfs/dbraw/zinc/80/62/02/262806202.db2.gz IYGKLNKKQZKPMN-GUBZILKMSA-N 1 0 225.361 1.934 10 0 BDAERO CC[C@](C)(O)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528756626 262849442 /nfs/dbraw/zinc/84/94/42/262849442.db2.gz BILPBJHRIKQLDR-HTFCKZLJSA-N 1 0 215.337 1.549 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCc1cscn1 ZINC000082626677 487698602 /nfs/dbraw/zinc/69/86/02/487698602.db2.gz DEAAOIXNXFCAEM-SECBINFHSA-N 1 0 239.344 1.149 10 0 BDAERO Cc1nccnc1NCCC1(C[NH3+])CC1 ZINC000395853781 487703626 /nfs/dbraw/zinc/70/36/26/487703626.db2.gz HGQJOFGSCBAXBA-UHFFFAOYSA-N 1 0 206.293 1.326 10 0 BDAERO C[N@H+](CCCCCO)C[C@H]1CCC[C@H](O)C1 ZINC000394532807 487706976 /nfs/dbraw/zinc/70/69/76/487706976.db2.gz RUJXNBLMHPMVTC-STQMWFEESA-N 1 0 229.364 1.632 10 0 BDAERO O=C(C[C@H]1CCC[NH2+]C1)NCC[C@@H]1CCCO1 ZINC000054292184 487708985 /nfs/dbraw/zinc/70/89/85/487708985.db2.gz PULFPFDNYKZKMY-NEPJUHHUSA-N 1 0 240.347 1.061 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487942474 /nfs/dbraw/zinc/94/24/74/487942474.db2.gz SOBGAPZTBAPNPV-ZJUUUORDSA-N 1 0 246.301 1.632 10 0 BDAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000300412338 322996496 /nfs/dbraw/zinc/99/64/96/322996496.db2.gz QTMGHOGXRMRRIR-CLLJXQQHSA-N 1 0 237.347 1.737 10 0 BDAERO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000148437692 323037569 /nfs/dbraw/zinc/03/75/69/323037569.db2.gz MBFVKSDHAZSASS-UWVGGRQHSA-N 1 0 228.336 1.803 10 0 BDAERO C[C@H](C[C@H](C)[NH3+])Nc1ncnc2c1CCC2 ZINC000165722403 323069546 /nfs/dbraw/zinc/06/95/46/323069546.db2.gz NLHQBMFSNSRKCQ-DTWKUNHWSA-N 1 0 220.320 1.503 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1cscn1 ZINC000563451692 323126603 /nfs/dbraw/zinc/12/66/03/323126603.db2.gz PYJJYZAOZZDZAA-XHNCKOQMSA-N 1 0 239.344 1.448 10 0 BDAERO C[C@@H]1C[C@H](C)C[N@@H+](CCSC[C@H](O)CO)C1 ZINC000319083211 323139275 /nfs/dbraw/zinc/13/92/75/323139275.db2.gz PQYHXQUNDROVJY-GRYCIOLGSA-N 1 0 247.404 1.051 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C2CC2)C1 ZINC000052501630 323193469 /nfs/dbraw/zinc/19/34/69/323193469.db2.gz WLKAUSWJKBQQFH-CMPLNLGQSA-N 1 0 239.363 1.568 10 0 BDAERO Cc1c(CNCC[N@H+]2CC[C@@H](C)C2)cnn1C ZINC000535958168 323194943 /nfs/dbraw/zinc/19/49/43/323194943.db2.gz FOFZWIVPDOJFHO-LLVKDONJSA-N 1 0 236.363 1.160 10 0 BDAERO Cc1cc(C[N@H+]2C[C@H](O)CC[C@@H]2C)n(C)n1 ZINC000399237199 323201258 /nfs/dbraw/zinc/20/12/58/323201258.db2.gz HBMPUNITFKSBEF-CMPLNLGQSA-N 1 0 223.320 1.074 10 0 BDAERO C[C@@H](O)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000309076748 323225481 /nfs/dbraw/zinc/22/54/81/323225481.db2.gz LISMKBHEWCTEIN-GWOFURMSSA-N 1 0 213.321 1.160 10 0 BDAERO C[C@@H](Cc1ccsc1)N1CCO[C@H](CO)C1 ZINC000134802588 323270624 /nfs/dbraw/zinc/27/06/24/323270624.db2.gz PDQPJLBNBYDRML-JQWIXIFHSA-N 1 0 241.356 1.372 10 0 BDAERO C[C@H]([NH2+][C@@H]1CCCN[C@@H]1C)[C@@H]1CCOC1 ZINC000396609600 323349905 /nfs/dbraw/zinc/34/99/05/323349905.db2.gz DLBMCVFUPSQIOY-IRCOFANPSA-N 1 0 212.337 1.142 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C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000121603956 324018339 /nfs/dbraw/zinc/01/83/39/324018339.db2.gz OQGDWLYINSQFEX-SRRSOLGSSA-N 1 0 224.348 1.379 10 0 BDAERO c1cc(CO[C@@H]2CSC3(C[NH2+]C3)C2)ccn1 ZINC000253589992 324191807 /nfs/dbraw/zinc/19/18/07/324191807.db2.gz ASWGTKTXZXIBHB-NSHDSACASA-N 1 0 236.340 1.446 10 0 BDAERO CCO[C@@H]1C[N@H+](CC2CC2)[C@H]2CCCO[C@@H]12 ZINC000253611148 324192143 /nfs/dbraw/zinc/19/21/43/324192143.db2.gz CQMJTBMOJKJCJD-YNEHKIRRSA-N 1 0 225.332 1.665 10 0 BDAERO CC1(C)CC(C[N@@H+]2CCO[C@@H](CO)C2)C1 ZINC000528396064 324220580 /nfs/dbraw/zinc/22/05/80/324220580.db2.gz NKHKGEYVCRNWSW-LLVKDONJSA-N 1 0 213.321 1.116 10 0 BDAERO CSCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000069013973 324918881 /nfs/dbraw/zinc/91/88/81/324918881.db2.gz DIXSJDFNOBQUSI-SNVBAGLBSA-N 1 0 230.377 1.245 10 0 BDAERO CC[C@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC000070643148 325018813 /nfs/dbraw/zinc/01/88/13/325018813.db2.gz QPMCPNFGJNIWIX-GARJFASQSA-N 1 0 212.337 1.631 10 0 BDAERO CC1([NH2+]CC2CCOCC2)CCOCC1 ZINC000131164465 325122497 /nfs/dbraw/zinc/12/24/97/325122497.db2.gz IVVIKMLKARAFQD-UHFFFAOYSA-N 1 0 213.321 1.572 10 0 BDAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCCC2)C1 ZINC000132599220 325228474 /nfs/dbraw/zinc/22/84/74/325228474.db2.gz COMJFTVWPKMZQK-GFCCVEGCSA-N 1 0 239.363 1.713 10 0 BDAERO Cc1cc(C(C)C)nc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000122226312 487969493 /nfs/dbraw/zinc/96/94/93/487969493.db2.gz RMEBZDZCJPTFHJ-LLVKDONJSA-N 1 0 234.347 1.836 10 0 BDAERO CCc1nc(C)cc(NCCC[NH2+]C(C)C)n1 ZINC000565471422 325914901 /nfs/dbraw/zinc/91/49/01/325914901.db2.gz TYGGJHVDYIOPDP-UHFFFAOYSA-N 1 0 236.363 1.569 10 0 BDAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCCc2ccccn2)C1 ZINC000566190754 326009545 /nfs/dbraw/zinc/00/95/45/326009545.db2.gz OZSVUPYZGAWAFH-NEPJUHHUSA-N 1 0 247.342 1.258 10 0 BDAERO CCC(C)(C)CC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000566743850 326079824 /nfs/dbraw/zinc/07/98/24/326079824.db2.gz YDRHQSQLUHKBIE-CHWSQXEVSA-N 1 0 240.391 1.875 10 0 BDAERO Cc1cc(C)nc(NCCC[NH2+]C(C)C)n1 ZINC000567337922 326165967 /nfs/dbraw/zinc/16/59/67/326165967.db2.gz LAWGKCBDIXGMLK-UHFFFAOYSA-N 1 0 222.336 1.315 10 0 BDAERO CC1CC(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000567846820 326269165 /nfs/dbraw/zinc/26/91/65/326269165.db2.gz RPMLIFGZMMWRLC-YIYTYNFBSA-N 1 0 210.321 1.276 10 0 BDAERO CC1CC(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000572875366 326416273 /nfs/dbraw/zinc/41/62/73/326416273.db2.gz FAAYSAWYRJOENN-ADPBJBESSA-N 1 0 222.332 1.243 10 0 BDAERO CCC(CC)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000158757462 487974466 /nfs/dbraw/zinc/97/44/66/487974466.db2.gz GPZJBLVQDOTGJD-MWLCHTKSSA-N 1 0 212.337 1.394 10 0 BDAERO CN(CC(F)F)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000158775149 487975486 /nfs/dbraw/zinc/97/54/86/487975486.db2.gz PRKJGAGKXWJJLR-YUMQZZPRSA-N 1 0 220.263 1.085 10 0 BDAERO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000158772813 487975093 /nfs/dbraw/zinc/97/50/93/487975093.db2.gz JADIGLLAFMYLQB-FXPVBKGRSA-N 1 0 210.321 1.004 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2O)CC(C)(C)C1 ZINC000134395830 487981246 /nfs/dbraw/zinc/98/12/46/487981246.db2.gz OYDWVBIQTMIGOY-KXNHARMFSA-N 1 0 227.348 1.551 10 0 BDAERO CC1(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCOCC1 ZINC000229902822 487986016 /nfs/dbraw/zinc/98/60/16/487986016.db2.gz KGKXMSLNCUJAFD-GHMZBOCLSA-N 1 0 240.347 1.047 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1(C)CCOCC1 ZINC000229905153 487987532 /nfs/dbraw/zinc/98/75/32/487987532.db2.gz LDUWOIGKPSDXFJ-QWRGUYRKSA-N 1 0 240.347 1.060 10 0 BDAERO C[C@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)CCO1 ZINC000235662296 488000621 /nfs/dbraw/zinc/00/06/21/488000621.db2.gz LHVHNEUTKLRENH-XKGSQUFQSA-N 1 0 240.347 1.188 10 0 BDAERO COC[C@H](C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000309645857 488010123 /nfs/dbraw/zinc/01/01/23/488010123.db2.gz QILLHVRTWZBRPC-JGVFFNPUSA-N 1 0 211.265 1.244 10 0 BDAERO C[C@@H](C[NH2+]C[C@@H]1CC(=O)N(C)C1)C(C)(C)C ZINC000668616748 488010197 /nfs/dbraw/zinc/01/01/97/488010197.db2.gz QIGIXRMCRWWOLY-QWRGUYRKSA-N 1 0 226.364 1.737 10 0 BDAERO C[C@@H]([NH3+])CNc1nccc(C(F)(F)F)n1 ZINC000081587089 488027146 /nfs/dbraw/zinc/02/71/46/488027146.db2.gz HORZRFZANIFUKA-RXMQYKEDSA-N 1 0 220.198 1.255 10 0 BDAERO CC(C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000135365970 488031613 /nfs/dbraw/zinc/03/16/13/488031613.db2.gz ZDLWLQUVUDCXJX-UPJWGTAASA-N 1 0 238.375 1.866 10 0 BDAERO CO[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])C1CCC1 ZINC000659290411 488038025 /nfs/dbraw/zinc/03/80/25/488038025.db2.gz LLONBKRIGBMREY-WOPDTQHZSA-N 1 0 240.347 1.045 10 0 BDAERO C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000084308666 488042981 /nfs/dbraw/zinc/04/29/81/488042981.db2.gz VILMWXCUGDMCKE-UTUOFQBUSA-N 1 0 224.348 1.620 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000084309476 488043583 /nfs/dbraw/zinc/04/35/83/488043583.db2.gz URRFWNRWLOELHF-JMJZKYOTSA-N 1 0 210.321 1.276 10 0 BDAERO CC1(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000084310289 488043850 /nfs/dbraw/zinc/04/38/50/488043850.db2.gz UTCCGUYWSSANAI-QWRGUYRKSA-N 1 0 224.348 1.810 10 0 BDAERO CCN(CC1CC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000084311020 488044860 /nfs/dbraw/zinc/04/48/60/488044860.db2.gz ZQSVNZRSIVTQDX-NWDGAFQWSA-N 1 0 224.348 1.620 10 0 BDAERO [NH3+]C[C@H](NC(=O)[C@@H]1CC=CCC1)C(F)(F)F ZINC000401724514 488056840 /nfs/dbraw/zinc/05/68/40/488056840.db2.gz PNPSSLHHYFUWRC-SFYZADRCSA-N 1 0 236.237 1.349 10 0 BDAERO COC1(CO)CC[NH+]([C@@H](C)C(C)C)CC1 ZINC000401761699 488065296 /nfs/dbraw/zinc/06/52/96/488065296.db2.gz INTAZESMCCYPGG-NSHDSACASA-N 1 0 215.337 1.504 10 0 BDAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000310158179 488068105 /nfs/dbraw/zinc/06/81/05/488068105.db2.gz PBRHCQGMBDJXLG-IEECTRCBSA-N 1 0 234.343 1.100 10 0 BDAERO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000401965657 488074409 /nfs/dbraw/zinc/07/44/09/488074409.db2.gz DUFOGPMXHPLDPC-FDYHWXHSSA-N 1 0 227.348 1.383 10 0 BDAERO Cc1cc(NCCC2CC[NH2+]CC2)nc(C)n1 ZINC000257642655 488076481 /nfs/dbraw/zinc/07/64/81/488076481.db2.gz FHMAHLHAPLOLSH-UHFFFAOYSA-N 1 0 234.347 1.895 10 0 BDAERO CO[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)CC[C@@H]1C ZINC000230243897 488077273 /nfs/dbraw/zinc/07/72/73/488077273.db2.gz SPKIEOXKIDFBQS-SDDRHHMPSA-N 1 0 242.363 1.243 10 0 BDAERO COCCCCCNC(=O)C1CCC([NH3+])CC1 ZINC000225404047 488077546 /nfs/dbraw/zinc/07/75/46/488077546.db2.gz LCBKABKZORTOQI-UHFFFAOYSA-N 1 0 242.363 1.437 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NCCc1ccccc1 ZINC000136301258 488092669 /nfs/dbraw/zinc/09/26/69/488092669.db2.gz RBQFMVDLPYVMAZ-ZDUSSCGKSA-N 1 0 234.343 1.719 10 0 BDAERO Cc1cccnc1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136461853 488103583 /nfs/dbraw/zinc/10/35/83/488103583.db2.gz SEYWZNLZHJMNEM-LLVKDONJSA-N 1 0 235.331 1.380 10 0 BDAERO CCCn1nccc1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000160087035 488105004 /nfs/dbraw/zinc/10/50/04/488105004.db2.gz MYLPPDSEDRMTLQ-AAEUAGOBSA-N 1 0 237.347 1.686 10 0 BDAERO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000389768936 488111099 /nfs/dbraw/zinc/11/10/99/488111099.db2.gz BMBORCGPUAQDGL-USZNOCQGSA-N 1 0 234.343 1.291 10 0 BDAERO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc2nccnc2n1 ZINC000094726556 487556625 /nfs/dbraw/zinc/55/66/25/487556625.db2.gz RHGIIOKRRBKAQB-VHSXEESVSA-N 1 0 243.314 1.564 10 0 BDAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000380618911 487481794 /nfs/dbraw/zinc/48/17/94/487481794.db2.gz MVPXBOODTKNCPI-BXKDBHETSA-N 1 0 243.310 1.730 10 0 BDAERO [NH3+]CCc1ccccc1C(=O)N[C@@H]1CCCOC1 ZINC000070542384 487482184 /nfs/dbraw/zinc/48/21/84/487482184.db2.gz DYOMTQZFBWHHLE-GFCCVEGCSA-N 1 0 248.326 1.097 10 0 BDAERO CC(C)(C)[C@H](O)C[NH2+]CC1CCC(O)CC1 ZINC000304208835 487483316 /nfs/dbraw/zinc/48/33/16/487483316.db2.gz DLUKRUGVBKXIBN-HTAVTVPLSA-N 1 0 229.364 1.534 10 0 BDAERO Cc1cc(N2CCC[C@H](O)[C@H]2C)nc(C)n1 ZINC000295075888 487480386 /nfs/dbraw/zinc/48/03/86/487480386.db2.gz WZYGEZQSROTVBE-KOLCDFICSA-N 1 0 221.304 1.443 10 0 BDAERO CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000086248324 487492860 /nfs/dbraw/zinc/49/28/60/487492860.db2.gz XXARAPQQLOJNCC-CMPLNLGQSA-N 1 0 223.320 1.497 10 0 BDAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1cccs1 ZINC000086271019 487495508 /nfs/dbraw/zinc/49/55/08/487495508.db2.gz VTLKBWAOKDSOGY-LPEHRKFASA-N 1 0 238.356 1.923 10 0 BDAERO CCNC(=O)C[NH2+]Cc1ccnc2ccccc12 ZINC000111728538 487499849 /nfs/dbraw/zinc/49/98/49/487499849.db2.gz JOIJWCJZTCAVLV-UHFFFAOYSA-N 1 0 243.310 1.461 10 0 BDAERO CC(C)(O)C(C)(C)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000381241084 487502334 /nfs/dbraw/zinc/50/23/34/487502334.db2.gz NCTZUKHNSXPHSF-WDEREUQCSA-N 1 0 229.364 1.677 10 0 BDAERO Cc1nc(C[N@@H+]2CCC[C@H]2CCCO)co1 ZINC000381860165 487524225 /nfs/dbraw/zinc/52/42/25/487524225.db2.gz IAMXJMBDXQRINU-LBPRGKRZSA-N 1 0 224.304 1.720 10 0 BDAERO COc1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000234976163 487898630 /nfs/dbraw/zinc/89/86/30/487898630.db2.gz GQLMFIPLTBERCC-QWRGUYRKSA-N 1 0 235.331 1.890 10 0 BDAERO Cc1nnc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000158752188 487974376 /nfs/dbraw/zinc/97/43/76/487974376.db2.gz DBHHRPGMFXYISB-JGVFFNPUSA-N 1 0 240.332 1.160 10 0 BDAERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309518863 487981937 /nfs/dbraw/zinc/98/19/37/487981937.db2.gz ZLYRMWQVMRFNCN-JFGNBEQYSA-N 1 0 224.348 1.822 10 0 BDAERO OC[C@@H]1COCC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000222970296 488138169 /nfs/dbraw/zinc/13/81/69/488138169.db2.gz NFKZLMAEVMVZDR-QWHCGFSZSA-N 1 0 233.311 1.019 10 0 BDAERO [NH3+]CCOCC(=O)N[C@H]1CCCc2ccccc21 ZINC000093230640 488144345 /nfs/dbraw/zinc/14/43/45/488144345.db2.gz NHAOPHHGONXBCK-ZDUSSCGKSA-N 1 0 248.326 1.156 10 0 BDAERO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1Cc2ccccc21 ZINC000136363712 488179256 /nfs/dbraw/zinc/17/92/56/488179256.db2.gz YPLLYOJIJSICDF-OCCSQVGLSA-N 1 0 246.354 1.816 10 0 BDAERO C[C@@H]1CCC[N@@H+]1CC1(O)CCSCC1 ZINC000606283602 488182177 /nfs/dbraw/zinc/18/21/77/488182177.db2.gz JOGAGPPJMUWFBV-SNVBAGLBSA-N 1 0 215.362 1.729 10 0 BDAERO C[C@H](C[N@@H+]1CCOC[C@H]1CO)C1CCCCC1 ZINC000310251316 488183481 /nfs/dbraw/zinc/18/34/81/488183481.db2.gz KEFIJUDTYMUDAY-TZMCWYRMSA-N 1 0 241.375 1.896 10 0 BDAERO C[C@@H](C[N@@H+]1CCOC[C@H]1CO)C1CCCCC1 ZINC000310251313 488184043 /nfs/dbraw/zinc/18/40/43/488184043.db2.gz KEFIJUDTYMUDAY-GXTWGEPZSA-N 1 0 241.375 1.896 10 0 BDAERO CN(CCC[NH3+])c1nnc(C(F)F)s1 ZINC000308523914 488205832 /nfs/dbraw/zinc/20/58/32/488205832.db2.gz ZQNCSQCVMCBDTP-UHFFFAOYSA-N 1 0 222.264 1.261 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1csnn1 ZINC000398230893 488215400 /nfs/dbraw/zinc/21/54/00/488215400.db2.gz IGSLXXROBZDIRS-IVZWLZJFSA-N 1 0 241.360 1.740 10 0 BDAERO O=C([C@H]1CC[NH2+]C1)N1CCC2(CCC2)CC1 ZINC000308705876 488215453 /nfs/dbraw/zinc/21/54/53/488215453.db2.gz IWXFDICDMJSRKV-NSHDSACASA-N 1 0 222.332 1.389 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N1CCC2(CCC2)CC1 ZINC000308711977 488217311 /nfs/dbraw/zinc/21/73/11/488217311.db2.gz PJMPCTUURRKKLF-NSHDSACASA-N 1 0 224.348 1.907 10 0 BDAERO c1ccc2c(C[NH2+]C[C@@H]3CC[NH2+]C3)ccnc2c1 ZINC000398409991 488219648 /nfs/dbraw/zinc/21/96/48/488219648.db2.gz SFGFUXOTPCMPCH-GFCCVEGCSA-N 1 0 241.338 1.934 10 0 BDAERO C[C@H]1C[NH+](CC2=CCCOC2)C[C@H](C)O1 ZINC000126878593 490046446 /nfs/dbraw/zinc/04/64/46/490046446.db2.gz FCMIZRMLZUNMQA-QWRGUYRKSA-N 1 0 211.305 1.442 10 0 BDAERO C[C@@H](CC1CCC1)[NH2+]C1CCN(CCO)CC1 ZINC000679037445 488304203 /nfs/dbraw/zinc/30/42/03/488304203.db2.gz TWRXQURMCKYPNN-LBPRGKRZSA-N 1 0 240.391 1.611 10 0 BDAERO OC[C@H]1COCC[N@@H+]1CCCCc1ccccc1 ZINC000122312786 490132490 /nfs/dbraw/zinc/13/24/90/490132490.db2.gz XPOOYFBICUGQQG-HNNXBMFYSA-N 1 0 249.354 1.702 10 0 BDAERO COC[C@@H](C)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000220867497 490152291 /nfs/dbraw/zinc/15/22/91/490152291.db2.gz MTSNTLKTMCRGBA-WCBMZHEXSA-N 1 0 212.293 1.916 10 0 BDAERO C[NH2+][C@H](C)C(=O)NCc1cccc(F)c1 ZINC000054071896 490191669 /nfs/dbraw/zinc/19/16/69/490191669.db2.gz OQOURQSJBVFPFK-MRVPVSSYSA-N 1 0 210.252 1.050 10 0 BDAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1C ZINC000054071691 490191557 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535382830 /nfs/dbraw/zinc/38/28/30/535382830.db2.gz YPLWKFALHFZHPL-UHFFFAOYSA-N 1 0 212.337 1.394 10 0 BDAERO CC[NH2+]Cc1ccc(N2CCC(OC)CC2)nc1 ZINC000051443066 535478592 /nfs/dbraw/zinc/47/85/92/535478592.db2.gz YNTGOHCGVJIBFB-UHFFFAOYSA-N 1 0 249.358 1.806 10 0 BDAERO CC[NH2+]Cc1ccc(N2CCC(C)CC2)nn1 ZINC000051399063 535478883 /nfs/dbraw/zinc/47/88/83/535478883.db2.gz CANYJCPTBJLESH-UHFFFAOYSA-N 1 0 234.347 1.822 10 0 BDAERO CCOc1ccccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163804076 535534224 /nfs/dbraw/zinc/53/42/24/535534224.db2.gz SNIWOWCXWAHRJQ-SNVBAGLBSA-N 1 0 248.326 1.879 10 0 BDAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(C)nc2)C1 ZINC000157844251 535537954 /nfs/dbraw/zinc/53/79/54/535537954.db2.gz WWAMNKXIHOQSPX-CQSZACIVSA-N 1 0 233.359 1.964 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000087479300 535582188 /nfs/dbraw/zinc/58/21/88/535582188.db2.gz HPQQGLOZXNUSJJ-STQMWFEESA-N 1 0 228.380 1.731 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000262107497 535678384 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535978521 /nfs/dbraw/zinc/97/85/21/535978521.db2.gz OTAPAWWSPXVAOY-AWEZNQCLSA-N 1 0 248.374 1.331 10 0 BDAERO CC[C@H]1CC[C@@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000164418475 536094171 /nfs/dbraw/zinc/09/41/71/536094171.db2.gz NZDKBDKEVSWRCM-WDEREUQCSA-N 1 0 248.392 1.094 10 0 BDAERO CC[C@H](C)CN(C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000082920540 536121676 /nfs/dbraw/zinc/12/16/76/536121676.db2.gz KZXDCOIOUHTXDZ-DCAQKATOSA-N 1 0 212.337 1.618 10 0 BDAERO Nc1[nH+]ccn1C[C@@H]1CCCC1(F)F ZINC000702595209 582926960 /nfs/dbraw/zinc/92/69/60/582926960.db2.gz AQRNTRYGKBFVER-ZETCQYMHSA-N 1 0 201.220 1.901 10 0 BDAERO C[NH2+][C@@H]1CCN(c2cccnc2)[C@@H](C)C1 ZINC000049694157 536378340 /nfs/dbraw/zinc/37/83/40/536378340.db2.gz RIUXNBDZUXJWQZ-WDEREUQCSA-N 1 0 205.305 1.658 10 0 BDAERO CN1CCN([C@]2(C[NH3+])CCOC2)c2ccccc21 ZINC000104273722 536417484 /nfs/dbraw/zinc/41/74/84/536417484.db2.gz NPMBEOSJJHMXED-AWEZNQCLSA-N 1 0 247.342 1.061 10 0 BDAERO COC(=O)[C@@H]1CC12CC[NH+](C1CCC1)CC2 ZINC000336181978 536460333 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582500046 /nfs/dbraw/zinc/50/00/46/582500046.db2.gz FVBSSCKTNLLJFQ-MRVPVSSYSA-N 1 0 212.318 1.696 10 0 BDAERO Cc1nc(C(=O)[C@@H]2C[C@@H]2C)sc1C[NH3+] ZINC000757127070 582501915 /nfs/dbraw/zinc/50/19/15/582501915.db2.gz XLYWAQAFYSSSKF-CAHLUQPWSA-N 1 0 210.302 1.749 10 0 BDAERO CC(C)(C)[C@H](O)c1nc(CC[NH3+])cs1 ZINC000757127410 582502692 /nfs/dbraw/zinc/50/26/92/582502692.db2.gz IOVLLPRONRNXHG-MRVPVSSYSA-N 1 0 214.334 1.724 10 0 BDAERO C[NH2+]Cc1sc([C@@H](O)C(F)(F)F)nc1C ZINC000757128138 582502791 /nfs/dbraw/zinc/50/27/91/582502791.db2.gz JVCHTLWXCWCHRH-ZCFIWIBFSA-N 1 0 240.250 1.767 10 0 BDAERO CC(C)[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757129366 582503803 /nfs/dbraw/zinc/50/38/03/582503803.db2.gz LGGHZIRGYBLZHZ-ZDUSSCGKSA-N 1 0 208.349 1.955 10 0 BDAERO COCCN1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757128104 582503984 /nfs/dbraw/zinc/50/39/84/582503984.db2.gz IVTCAZFSRGTECI-NEPJUHHUSA-N 1 0 212.337 1.239 10 0 BDAERO COC[C@@H](C)[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757133838 582510458 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/nfs/dbraw/zinc/52/54/77/582525477.db2.gz OVQJKMUGHUISTA-LBPRGKRZSA-N 1 0 211.305 1.673 10 0 BDAERO CN1CC[C@@]2(C1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757145320 582527478 /nfs/dbraw/zinc/52/74/78/582527478.db2.gz OOMVZUSBJMYGRC-CQSZACIVSA-N 1 0 236.359 1.731 10 0 BDAERO c1ccc(C[C@@H]2CCO[C@]3(CCC[NH2+]C3)N2)cc1 ZINC000757145163 582527849 /nfs/dbraw/zinc/52/78/49/582527849.db2.gz HYGYADBFCZPILP-GJZGRUSLSA-N 1 0 246.354 1.687 10 0 BDAERO CC[C@H]1[NH2+]CC(C)(C)[C@@]2(CCCOC2)O1 ZINC000757146941 582530244 /nfs/dbraw/zinc/53/02/44/582530244.db2.gz RNGOKFABKHRAIG-JQWIXIFHSA-N 1 0 213.321 1.918 10 0 BDAERO C[NH+]1CCC2(CC1)NCC[C@H](C(F)F)O2 ZINC000757150150 582534084 /nfs/dbraw/zinc/53/40/84/582534084.db2.gz XFOAMDKMSGBFJN-MRVPVSSYSA-N 1 0 220.263 1.052 10 0 BDAERO C[C@@H]1CC(C)(C)O[C@@]2(CN3CCC2CC3)[NH2+]1 ZINC000757152565 582537332 /nfs/dbraw/zinc/53/73/32/582537332.db2.gz SWJFIYNGZYDLEV-ZWNOBZJWSA-N 1 0 224.348 1.585 10 0 BDAERO c1ccc(C[C@H]2CCO[C@@]3(CCOC3)[NH2+]2)cc1 ZINC000757153922 582538798 /nfs/dbraw/zinc/53/87/98/582538798.db2.gz YLSNLSAAIUGKQJ-ZIAGYGMSSA-N 1 0 233.311 1.724 10 0 BDAERO C[NH2+][C@H](CO)[C@@H](C)SCc1occc1C ZINC000757166487 582547679 /nfs/dbraw/zinc/54/76/79/582547679.db2.gz VUKFHPMEIYOAQM-NXEZZACHSA-N 1 0 229.345 1.790 10 0 BDAERO Cc1ccoc1CSC[C@@H](O)C[NH+](C)C ZINC000757165881 582547952 /nfs/dbraw/zinc/54/79/52/582547952.db2.gz OMFJVZZPERYWRN-JTQLQIEISA-N 1 0 229.345 1.744 10 0 BDAERO CC[NH2+]Cc1cnn(-c2ccc(O)cc2)c1 ZINC000757171660 582551134 /nfs/dbraw/zinc/55/11/34/582551134.db2.gz VDLUEEYJZHVIPQ-UHFFFAOYSA-N 1 0 217.272 1.687 10 0 BDAERO [NH3+]C[C@@H]1CC(=O)Nc2c(F)cc(Cl)cc21 ZINC000757175378 582551962 /nfs/dbraw/zinc/55/19/62/582551962.db2.gz GJTSNXYGHYGKQA-YFKPBYRVSA-N 1 0 228.654 1.864 10 0 BDAERO C[C@H]1CCNc2cc(C3CC[NH2+]CC3)nn21 ZINC000235617209 582595989 /nfs/dbraw/zinc/59/59/89/582595989.db2.gz DNURRPUKCSVTDI-VIFPVBQESA-N 1 0 220.320 1.727 10 0 BDAERO Cc1cnn2c1nccc2[C@H]1CCC[NH2+]C1 ZINC000235971651 582633215 /nfs/dbraw/zinc/63/32/15/582633215.db2.gz QRCJUMPQBDFBMP-JTQLQIEISA-N 1 0 216.288 1.505 10 0 BDAERO [NH3+]C[C@H]1CCNc2c3ccc(F)cc3nn21 ZINC000236187125 582640699 /nfs/dbraw/zinc/64/06/99/582640699.db2.gz WPOWTBKTCYFLEZ-MRVPVSSYSA-N 1 0 220.251 1.491 10 0 BDAERO [NH3+]C[C@@H]1CCNc2nc3ccccc3n21 ZINC000236228555 582642131 /nfs/dbraw/zinc/64/21/31/582642131.db2.gz YTPFGCOCLQMHQZ-QMMMGPOBSA-N 1 0 202.261 1.352 10 0 BDAERO CCOC(=O)C1(CC(C)C)CC[NH2+]CC1 ZINC000113697288 582821878 /nfs/dbraw/zinc/82/18/78/582821878.db2.gz YRPFSXQZRTYELP-UHFFFAOYSA-N 1 0 213.321 1.965 10 0 BDAERO Cc1ccc2c(c1)[C@@]1(CC[NH2+]C1)OC(=O)N2 ZINC000259575803 582847413 /nfs/dbraw/zinc/84/74/13/582847413.db2.gz YEJQWLBUGOISHS-LBPRGKRZSA-N 1 0 218.256 1.746 10 0 BDAERO COC[C@H](C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000393655597 582849676 /nfs/dbraw/zinc/84/96/76/582849676.db2.gz GOLZZPZPAWJHLC-ZJUUUORDSA-N 1 0 203.326 1.266 10 0 BDAERO Cn1ncc(Cl)c1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000393798626 582925710 /nfs/dbraw/zinc/92/57/10/582925710.db2.gz LCIRBBXAFQDSGT-BDAKNGLRSA-N 1 0 243.738 1.467 10 0 BDAERO Cc1nc(Cn2cc[nH+]c2N)c(C)s1 ZINC000702598057 582927447 /nfs/dbraw/zinc/92/74/47/582927447.db2.gz AUADQBRZKHVCEZ-UHFFFAOYSA-N 1 0 208.290 1.587 10 0 BDAERO C[C@@H](C(=O)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000702912461 582930118 /nfs/dbraw/zinc/93/01/18/582930118.db2.gz SLERTPYLKJQPKY-RNFRBKRXSA-N 1 0 209.211 1.896 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@H]1CC[NH2+]C[C@H]1C ZINC000395937783 583073661 /nfs/dbraw/zinc/07/36/61/583073661.db2.gz CZBPWAUTRDGHNZ-GHMZBOCLSA-N 1 0 241.379 1.720 10 0 BDAERO CCC(C)(C)NC(=O)NC[C@]1(C)CCC[NH2+]1 ZINC000396029905 583076394 /nfs/dbraw/zinc/07/63/94/583076394.db2.gz VNHWERJTUJCOTR-LBPRGKRZSA-N 1 0 227.352 1.616 10 0 BDAERO CCN1CC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397309819 583099672 /nfs/dbraw/zinc/09/96/72/583099672.db2.gz RMPPLWUUSVNULK-GFCCVEGCSA-N 1 0 222.357 1.815 10 0 BDAERO C[NH2+][C@H](COC)c1cnnn1Cc1ccccc1 ZINC000675080882 583200513 /nfs/dbraw/zinc/20/05/13/583200513.db2.gz XHXCLLWUGHOBAE-GFCCVEGCSA-N 1 0 246.314 1.233 10 0 BDAERO Clc1cncc(NCC2CC[NH2+]CC2)n1 ZINC000126469712 584944168 /nfs/dbraw/zinc/94/41/68/584944168.db2.gz FDMZPFAOHHNHTQ-UHFFFAOYSA-N 1 0 226.711 1.542 10 0 BDAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])[C@H](C)CC ZINC000757151541 586426614 /nfs/dbraw/zinc/42/66/14/586426614.db2.gz HQCBOMMZDSHSEI-NXEZZACHSA-N 1 0 236.381 1.031 10 0 BDAERO COC(=O)C[C@@](C)([NH3+])[C@@H]1CCSC1 ZINC000757153025 586426915 /nfs/dbraw/zinc/42/69/15/586426915.db2.gz GHYICNMEWOGSCS-VXNVDRBHSA-N 1 0 203.307 1.020 10 0 BDAERO CCCn1nnc(C[NH3+])c1C1CCOCC1 ZINC000757137395 586426965 /nfs/dbraw/zinc/42/69/65/586426965.db2.gz KGVDOXRTDOGUDS-UHFFFAOYSA-N 1 0 224.308 1.041 10 0 BDAERO CC(=O)c1ccc2c(cnn2CC[NH3+])c1 ZINC000757134949 586427089 /nfs/dbraw/zinc/42/70/89/586427089.db2.gz ACJWUJXKKHMFCD-UHFFFAOYSA-N 1 0 203.245 1.198 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1snc2ccccc21 ZINC000757139867 586427737 /nfs/dbraw/zinc/42/77/37/586427737.db2.gz CVCZARQIGLRCBJ-QMMMGPOBSA-N 1 0 219.313 1.834 10 0 BDAERO CC[C@H]([NH3+])CS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000757149513 586429081 /nfs/dbraw/zinc/42/90/81/586429081.db2.gz DDSNDWJWGMLIQO-DCAQKATOSA-N 1 0 248.392 1.031 10 0 BDAERO CCCC[C@H]([NH3+])CS(=O)(=O)N(C)CCC ZINC000757152392 586429415 /nfs/dbraw/zinc/42/94/15/586429415.db2.gz LHZXPTGEGHHNEY-JTQLQIEISA-N 1 0 236.381 1.176 10 0 BDAERO [NH3+]C[C@@H]1CCN1c1nc2ccccc2o1 ZINC000757154237 586429947 /nfs/dbraw/zinc/42/99/47/586429947.db2.gz XOOMHDZSFBECNP-QMMMGPOBSA-N 1 0 203.245 1.365 10 0 BDAERO COC(=O)C[C@](C)([NH3+])CSC(C)C ZINC000757159151 586430520 /nfs/dbraw/zinc/43/05/20/586430520.db2.gz GYANZGQMJFHHFH-VIFPVBQESA-N 1 0 205.323 1.409 10 0 BDAERO [NH3+][C@H](CO)Cc1cn(C2CCCCC2)cn1 ZINC000757185253 586434052 /nfs/dbraw/zinc/43/40/52/586434052.db2.gz BYKYYRKTDCSNOU-JTQLQIEISA-N 1 0 223.320 1.250 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@H]1c1nccs1 ZINC000757189143 586435162 /nfs/dbraw/zinc/43/51/62/586435162.db2.gz MDQCZQUFVWACHZ-SFYZADRCSA-N 1 0 226.301 1.009 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(C)s1 ZINC000757189496 586435668 /nfs/dbraw/zinc/43/56/68/586435668.db2.gz ODLVSOCGELYTCQ-UWVGGRQHSA-N 1 0 239.340 1.923 10 0 BDAERO CC(=O)c1cccc([C@H]2C[NH2+]C[C@@H](N)C2)c1 ZINC000757212486 586437285 /nfs/dbraw/zinc/43/72/85/586437285.db2.gz IPXBMZFTKIKXKY-OLZOCXBDSA-N 1 0 218.300 1.293 10 0 BDAERO [NH3+]Cc1cccc([C@@H]2CCC[NH2+][C@H]2C(=O)[O-])c1 ZINC000757210591 586438474 /nfs/dbraw/zinc/43/84/74/586438474.db2.gz GAVXQFRADSYVHO-NWDGAFQWSA-N 1 0 234.299 1.066 10 0 BDAERO CC(=O)c1ccc([C@H]2CC[C@@H]([NH3+])CN2)cc1 ZINC000757215034 586440297 /nfs/dbraw/zinc/44/02/97/586440297.db2.gz MGLLWJBADLJQJV-CHWSQXEVSA-N 1 0 218.300 1.641 10 0 BDAERO [NH3+]C[C@H]1OC(=O)CC12CCCCCCC2 ZINC000757223175 586442632 /nfs/dbraw/zinc/44/26/32/586442632.db2.gz MULHESYABKWUCR-SNVBAGLBSA-N 1 0 211.305 1.991 10 0 BDAERO CC(C)(C)n1cc([C@H]2CC[NH2+][C@H](CN)C2)cn1 ZINC000757238514 586444208 /nfs/dbraw/zinc/44/42/08/586444208.db2.gz SIMAZKVIYZJHCR-JQWIXIFHSA-N 1 0 236.363 1.432 10 0 BDAERO [NH3+][C@H](Cc1nc(Cc2ccncc2)no1)C1CC1 ZINC000109509004 588564582 /nfs/dbraw/zinc/56/45/82/588564582.db2.gz QXBNTNMPEATEPU-LLVKDONJSA-N 1 0 244.298 1.335 10 0 BDAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(Cl)nc2)C1 ZINC000122143011 589557333 /nfs/dbraw/zinc/55/73/33/589557333.db2.gz FCGIGFZMAQGYRI-YUMQZZPRSA-N 1 0 239.706 1.801 10 0 BDAERO C[C@@H](CCO)[NH2+][C@H]1CCOc2ccccc21 ZINC000122855158 589639591 /nfs/dbraw/zinc/63/95/91/589639591.db2.gz NSRKEYLWDCTIQV-JQWIXIFHSA-N 1 0 221.300 1.871 10 0 BDAERO C[C@H]1CN(c2ccc(Cl)nn2)C[C@@H]1[NH+](C)C ZINC000124755737 590081300 /nfs/dbraw/zinc/08/13/00/590081300.db2.gz NSSKGUOBIVFKAR-IUCAKERBSA-N 1 0 240.738 1.516 10 0 BDAERO CC(C)(CO)[NH2+]CCCc1ccccc1 ZINC000020196855 590084084 /nfs/dbraw/zinc/08/40/84/590084084.db2.gz FGNQXJDWEFQDME-UHFFFAOYSA-N 1 0 207.317 1.980 10 0 BDAERO C[C@H]([NH2+]CCc1ccccc1)C(=O)N(C)C ZINC000020307543 590097594 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/nfs/dbraw/zinc/02/64/32/592026432.db2.gz VJWLECKLONWTHG-LSDHHAIUSA-N 1 0 249.354 1.957 10 0 BDAERO C[C@@H]1CC[C@@H](C)[C@](C[NH3+])(OCCO)C1 ZINC000300030393 592500037 /nfs/dbraw/zinc/50/00/37/592500037.db2.gz KOEXYVPYWGTABM-MXWKQRLJSA-N 1 0 201.310 1.149 10 0 BDAERO CC1(C)COC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000313115512 634451347 /nfs/dbraw/zinc/45/13/47/634451347.db2.gz IFEKRGYBUFSJDN-AXFHLTTASA-N 1 0 213.321 1.305 10 0 BDAERO [NH3+]CC[C@H]1CCN(c2ncnc3sccc32)C1 ZINC000125461598 634505671 /nfs/dbraw/zinc/50/56/71/634505671.db2.gz SOHLMDGSEGOCHB-VIFPVBQESA-N 1 0 248.355 1.866 10 0 BDAERO CCN1CCO[C@@H](C[NH2+]C2CC(C(C)C)C2)C1 ZINC000233484531 635154292 /nfs/dbraw/zinc/15/42/92/635154292.db2.gz VSOQTPMITTYAPF-RUXDESIVSA-N 1 0 240.391 1.731 10 0 BDAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000336776150 635287540 /nfs/dbraw/zinc/28/75/40/635287540.db2.gz DXBZJPRLJWEDAD-GDPRMGEGSA-N 1 0 221.304 1.554 10 0 BDAERO CCCCOC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000226466035 635434352 /nfs/dbraw/zinc/43/43/52/635434352.db2.gz CTCGFLZXFJLQDQ-LBPRGKRZSA-N 1 0 242.363 1.404 10 0 BDAERO COC1CC([NH2+][C@H](C)COC(C)C)C1 ZINC000308473678 631356054 /nfs/dbraw/zinc/35/60/54/631356054.db2.gz AIRZLJRZOUWGQV-KPPDAEKUSA-N 1 0 201.310 1.567 10 0 BDAERO CC(C(=O)NCC[C@@H](C)[NH3+])=C1CCCC1 ZINC000178669405 635649252 /nfs/dbraw/zinc/64/92/52/635649252.db2.gz SCVKOHPQENHBIQ-SECBINFHSA-N 1 0 210.321 1.730 10 0 BDAERO C[C@H]([NH2+]C[C@H]1CNC(=O)O1)C1CCCC1 ZINC000309006084 631798592 /nfs/dbraw/zinc/79/85/92/631798592.db2.gz PVWCRPNMOVVJHK-WPRPVWTQSA-N 1 0 212.293 1.263 10 0 BDAERO C[C@H]([NH2+]C[C@@H]1CNC(=O)O1)C1CCCC1 ZINC000309006080 631799033 /nfs/dbraw/zinc/79/90/33/631799033.db2.gz PVWCRPNMOVVJHK-WCBMZHEXSA-N 1 0 212.293 1.263 10 0 BDAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)F ZINC000309252652 631981716 /nfs/dbraw/zinc/98/17/16/631981716.db2.gz BQWJNDXWPUZNSO-UWVGGRQHSA-N 1 0 228.311 1.430 10 0 BDAERO OCCC[C@@H]1CCC[N@@H+]1CCC1OCCCO1 ZINC000091465869 632019627 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/nfs/dbraw/zinc/67/98/26/632679826.db2.gz QWKZUGXYGBNCKJ-SFXRXQKFSA-N 1 0 232.318 1.960 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)[C@H]1CCCO1 ZINC000279113791 632691733 /nfs/dbraw/zinc/69/17/33/632691733.db2.gz WLEDFQOUCHAZNG-KXUCPTDWSA-N 1 0 209.293 1.628 10 0 BDAERO Cc1nc(-c2noc([C@H]3CC[C@@H]([NH3+])C3)n2)co1 ZINC000310089254 632699628 /nfs/dbraw/zinc/69/96/28/632699628.db2.gz CUAMSCINMLGZHD-JGVFFNPUSA-N 1 0 234.259 1.628 10 0 BDAERO C[C@H]([NH3+])CCc1nc([C@@H]2CC2(C)C)no1 ZINC000235474651 632761744 /nfs/dbraw/zinc/76/17/44/632761744.db2.gz GTSOQVIXVPOGBV-YUMQZZPRSA-N 1 0 209.293 1.863 10 0 BDAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)F ZINC000309303121 632914868 /nfs/dbraw/zinc/91/48/68/632914868.db2.gz MOBFTHIBHVYDMN-JTQLQIEISA-N 1 0 230.327 1.677 10 0 BDAERO CCOC(C[N@@H+]1CCC[C@H](C(C)=O)C1)OCC ZINC000162364950 633027606 /nfs/dbraw/zinc/02/76/06/633027606.db2.gz DVMWWRAJQRTISJ-LBPRGKRZSA-N 1 0 243.347 1.687 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1c(C)cccc1C ZINC000166451914 633112796 /nfs/dbraw/zinc/11/27/96/633112796.db2.gz BZBJOOWDRIVBKA-VXGBXAGGSA-N 1 0 233.311 1.779 10 0 BDAERO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cc(F)ccc1F ZINC000166472637 633113888 /nfs/dbraw/zinc/11/38/88/633113888.db2.gz BQCICQPTCNJRBK-UWVGGRQHSA-N 1 0 241.237 1.441 10 0 BDAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)c(F)c1 ZINC000166502276 633114894 /nfs/dbraw/zinc/11/48/94/633114894.db2.gz OWANIGJGOBRAEU-RKDXNWHRSA-N 1 0 241.237 1.441 10 0 BDAERO C[C@H]([NH3+])CC(=O)NCc1cc(Cl)ccn1 ZINC000309506141 633181232 /nfs/dbraw/zinc/18/12/32/633181232.db2.gz VXZVXOIMBZMESZ-ZETCQYMHSA-N 1 0 227.695 1.089 10 0 BDAERO CNC(=O)[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)C(C)C ZINC000309588442 633208709 /nfs/dbraw/zinc/20/87/09/633208709.db2.gz SZNVZHLRAVIBHK-SDDRHHMPSA-N 1 0 226.364 1.781 10 0 BDAERO COC1CC([NH2+][C@H](C)c2cc(C)n(C)n2)C1 ZINC000309611051 633211900 /nfs/dbraw/zinc/21/19/00/633211900.db2.gz BKNJWHWFIPUBCA-KPPDAEKUSA-N 1 0 223.320 1.557 10 0 BDAERO Cc1nc(-c2noc([C@H]3CCC[NH2+]3)n2)co1 ZINC000304423512 635941564 /nfs/dbraw/zinc/94/15/64/635941564.db2.gz JZTWFTMSESFDPC-SSDOTTSWSA-N 1 0 220.232 1.458 10 0 BDAERO c1ccc2c(c1)C[NH2+]C[C@@]1(CCOC1)O2 ZINC000950757445 636081961 /nfs/dbraw/zinc/08/19/61/636081961.db2.gz DTPQOLDZVVITGV-GFCCVEGCSA-N 1 0 205.257 1.328 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000309817229 633782317 /nfs/dbraw/zinc/78/23/17/633782317.db2.gz BTPLELZWINISGV-YUMQZZPRSA-N 1 0 233.262 1.007 10 0 BDAERO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H](C)O ZINC000309941758 633965773 /nfs/dbraw/zinc/96/57/73/633965773.db2.gz BYGQPBGVHROLLI-BDAKNGLRSA-N 1 0 219.288 1.422 10 0 BDAERO COC1CC([NH2+][C@@H](C)CCn2cccn2)C1 ZINC000309959385 633983675 /nfs/dbraw/zinc/98/36/75/633983675.db2.gz KFESUYROHIEIEP-UNXYVOJBSA-N 1 0 223.320 1.429 10 0 BDAERO C[NH2+]CCc1noc([C@H]2CC=CCC2)n1 ZINC000309657608 633984930 /nfs/dbraw/zinc/98/49/30/633984930.db2.gz WPQDCZDTUDVXLW-VIFPVBQESA-N 1 0 207.277 1.655 10 0 BDAERO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000309745095 634000735 /nfs/dbraw/zinc/00/07/35/634000735.db2.gz FJFQOIORCRFOCF-XQHKEYJVSA-N 1 0 226.364 1.341 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000309971139 634003623 /nfs/dbraw/zinc/00/36/23/634003623.db2.gz PNEOHOSDIZDYOS-NTSWFWBYSA-N 1 0 237.225 1.287 10 0 BDAERO CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)O)n1 ZINC000309975131 634008362 /nfs/dbraw/zinc/00/83/62/634008362.db2.gz SFDSOIARADXCJR-NXEZZACHSA-N 1 0 224.304 1.339 10 0 BDAERO COC1CC([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000309971938 634054645 /nfs/dbraw/zinc/05/46/45/634054645.db2.gz PXUVGHMGOJCMNC-AMUVOQDHSA-N 1 0 221.304 1.554 10 0 BDAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000310255091 634101621 /nfs/dbraw/zinc/10/16/21/634101621.db2.gz GKPSRBRWUZTEFG-WYUUTHIRSA-N 1 0 240.347 1.201 10 0 BDAERO CC(=O)C1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000310312172 634112120 /nfs/dbraw/zinc/11/21/20/634112120.db2.gz DXZVJSUVNIEOCF-TZMCWYRMSA-N 1 0 239.359 1.839 10 0 BDAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)/C=C/C(C)(C)C ZINC000193529702 634281438 /nfs/dbraw/zinc/28/14/38/634281438.db2.gz SVHRSWIKILQWLF-IAYMVZNDSA-N 1 0 224.348 1.845 10 0 BDAERO C[NH2+][C@H](C)C(=O)NC[C@H](C)C(C)(C)C ZINC000162791094 634364376 /nfs/dbraw/zinc/36/43/76/634364376.db2.gz HXJBPPCSDIFGGW-DTWKUNHWSA-N 1 0 200.326 1.393 10 0 BDAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000336776151 635288311 /nfs/dbraw/zinc/28/83/11/635288311.db2.gz DXBZJPRLJWEDAD-INTQDDNPSA-N 1 0 221.304 1.554 10 0 BDAERO C[C@H]([NH2+]C(C)(C)CO)C(=O)Nc1ccccc1 ZINC000035101988 636741192 /nfs/dbraw/zinc/74/11/92/636741192.db2.gz QKDKNKSXRJQAOZ-JTQLQIEISA-N 1 0 236.315 1.374 10 0 BDAERO Cc1nc([C@@]2([NH3+])CCC[C@@H](C)C2)n(C)n1 ZINC000054499177 636744249 /nfs/dbraw/zinc/74/42/49/636744249.db2.gz SWXKHLNKLGOABZ-LDYMZIIASA-N 1 0 208.309 1.488 10 0 BDAERO CCON1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000323109848 636899453 /nfs/dbraw/zinc/89/94/53/636899453.db2.gz GSAVHSJKILCFMR-JTQLQIEISA-N 1 0 212.337 1.790 10 0 BDAERO C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000149253372 638255564 /nfs/dbraw/zinc/25/55/64/638255564.db2.gz QGPZHWLFVOOMGK-VHSXEESVSA-N 1 0 212.337 1.394 10 0 BDAERO C[C@H]1CN(c2cc(F)ncn2)C[C@@H]1[NH+](C)C ZINC000150154151 639376977 /nfs/dbraw/zinc/37/69/77/639376977.db2.gz RGXHIVGOMGTXSW-IUCAKERBSA-N 1 0 224.283 1.002 10 0 BDAERO COc1cc([C@@H]([NH3+])CCO)cc(Cl)c1OC ZINC000044234317 640093278 /nfs/dbraw/zinc/09/32/78/640093278.db2.gz PBPFLFVJUGKLGD-VIFPVBQESA-N 1 0 245.706 1.739 10 0 BDAERO CC(C)c1nc(C[C@@H]2CCC[NH2+]C2)n(C)n1 ZINC000054697883 640306615 /nfs/dbraw/zinc/30/66/15/640306615.db2.gz NOSDTZUKQMKOTE-JTQLQIEISA-N 1 0 222.336 1.481 10 0 BDAERO Cn1nc(C(C)(C)C)nc1[C@@H]1CCC[NH2+]1 ZINC000054698760 640319830 /nfs/dbraw/zinc/31/98/30/640319830.db2.gz YFILWVHTBVAUEA-QMMMGPOBSA-N 1 0 208.309 1.537 10 0 BDAERO C[C@@H](C[NH3+])c1nc(-c2cccs2)nn1C ZINC000054699717 640321196 /nfs/dbraw/zinc/32/11/96/640321196.db2.gz JPHCRRWGFHDLMB-ZETCQYMHSA-N 1 0 222.317 1.606 10 0 BDAERO C[C@H](C[NH3+])c1nc(-c2cccs2)nn1C ZINC000054699718 640321802 /nfs/dbraw/zinc/32/18/02/640321802.db2.gz JPHCRRWGFHDLMB-SSDOTTSWSA-N 1 0 222.317 1.606 10 0 BDAERO C[C@@H]1C[C@@H]1c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000163708060 640411188 /nfs/dbraw/zinc/41/11/88/640411188.db2.gz MYFXQUNKRAPIKK-VGMNWLOBSA-N 1 0 207.277 1.660 10 0 BDAERO C[C@H](O)[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000349291846 640500405 /nfs/dbraw/zinc/50/04/05/640500405.db2.gz CAXUPYLDKYQILD-QWRGUYRKSA-N 1 0 245.326 1.936 10 0 BDAERO C[C@H]1CN(c2cccc(F)n2)[C@@H](C)C[NH2+]1 ZINC000083345840 640515765 /nfs/dbraw/zinc/51/57/65/640515765.db2.gz SZGAQBGMEKHJEU-IUCAKERBSA-N 1 0 209.268 1.407 10 0 BDAERO CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1OC ZINC000166601686 640653861 /nfs/dbraw/zinc/65/38/61/640653861.db2.gz RUWDGQZVKIHZMF-VXGBXAGGSA-N 1 0 249.310 1.561 10 0 BDAERO Cc1nc(CC[C@H]2CCC[NH2+]C2)n(C)n1 ZINC000054499516 640706251 /nfs/dbraw/zinc/70/62/51/640706251.db2.gz NHAUXXUDZMRFMR-SNVBAGLBSA-N 1 0 208.309 1.056 10 0 BDAERO C[C@H]1C[N@H+](CCCCCCO)CCS1 ZINC000226837952 640802713 /nfs/dbraw/zinc/80/27/13/640802713.db2.gz VOXIZKDEAJLQAI-NSHDSACASA-N 1 0 217.378 1.976 10 0 BDAERO CO[C@@H](c1noc(C[C@H]2CCC[NH2+]2)n1)C1CC1 ZINC000227329396 640827837 /nfs/dbraw/zinc/82/78/37/640827837.db2.gz GFQLIBKNEHDPFF-MWLCHTKSSA-N 1 0 237.303 1.462 10 0 BDAERO C[C@@H](O)[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000227475389 640834912 /nfs/dbraw/zinc/83/49/12/640834912.db2.gz GKLGWKBSRMINDY-HOSYDEDBSA-N 1 0 209.289 1.079 10 0 BDAERO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)[C@H](C)O ZINC000227475386 640835690 /nfs/dbraw/zinc/83/56/90/640835690.db2.gz GKLGWKBSRMINDY-JFGNBEQYSA-N 1 0 209.289 1.079 10 0 BDAERO COc1cccnc1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000227647182 640842781 /nfs/dbraw/zinc/84/27/81/640842781.db2.gz UMIUHIXPOGVLMI-ZJUUUORDSA-N 1 0 221.304 1.630 10 0 BDAERO CC1(c2noc([C@@H]3CCC[C@@H]3C[NH3+])n2)CC1 ZINC000087548654 640922196 /nfs/dbraw/zinc/92/21/96/640922196.db2.gz CQFGNELDEFEDMQ-RKDXNWHRSA-N 1 0 221.304 1.964 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3cscn3)no2)C1 ZINC000087588669 640932356 /nfs/dbraw/zinc/93/23/56/640932356.db2.gz CEYZZCKFCFRIBM-RNFRBKRXSA-N 1 0 236.300 1.788 10 0 BDAERO CCOC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccco1 ZINC000229218180 640934329 /nfs/dbraw/zinc/93/43/29/640934329.db2.gz BOYFRZCNSZRNDI-IUCAKERBSA-N 1 0 209.245 1.146 10 0 BDAERO CCc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)s1 ZINC000087654705 640957651 /nfs/dbraw/zinc/95/76/51/640957651.db2.gz OMOUJXFNVBTUJW-SECBINFHSA-N 1 0 238.356 1.650 10 0 BDAERO COC(=O)[C@@H]1CCCC[N@@H+]1C[Si](C)(C)C ZINC000171730854 641006337 /nfs/dbraw/zinc/00/63/37/641006337.db2.gz ORVWNLZOOKKMHV-JTQLQIEISA-N 1 0 229.396 1.891 10 0 BDAERO COCCN1CC[N@H+](C[Si](C)(C)C)C[C@@H]1C ZINC000171746152 641009618 /nfs/dbraw/zinc/00/96/18/641009618.db2.gz VTQDYYCBRRXVGB-LBPRGKRZSA-N 1 0 244.455 1.516 10 0 BDAERO CCN(C(=O)[C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000062116719 641023390 /nfs/dbraw/zinc/02/33/90/641023390.db2.gz ZELZUFNBJWEUCH-LBPRGKRZSA-N 1 0 232.327 1.957 10 0 BDAERO CC(=O)[C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000230761816 641098356 /nfs/dbraw/zinc/09/83/56/641098356.db2.gz WGNMAJLLWFIVON-GFCCVEGCSA-N 1 0 235.331 1.264 10 0 BDAERO CCOCCc1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084432 641127005 /nfs/dbraw/zinc/12/70/05/641127005.db2.gz SKSSELBZIKLQJL-JTQLQIEISA-N 1 0 239.319 1.191 10 0 BDAERO [NH3+]C[C@@H]1CC(OCc2ccccc2)=NO1 ZINC000034328699 641160536 /nfs/dbraw/zinc/16/05/36/641160536.db2.gz NVTKDPWDHZNADC-JTQLQIEISA-N 1 0 206.245 1.264 10 0 BDAERO CN1CCO[C@@H](C[NH2+][C@@H](C2CC2)C(C)(C)C)C1 ZINC000323945887 641311085 /nfs/dbraw/zinc/31/10/85/641311085.db2.gz BLQFIYFFICALEN-STQMWFEESA-N 1 0 240.391 1.731 10 0 BDAERO C[C@@H]1COC[C@H](C)N1C(=O)CCCCC[NH3+] ZINC000155217216 641561243 /nfs/dbraw/zinc/56/12/43/641561243.db2.gz PCFUXHXNZOJKJY-PHIMTYICSA-N 1 0 228.336 1.141 10 0 BDAERO [NH3+][C@@H]1CC[C@@H](c2nc(-c3ccncn3)no2)C1 ZINC000156261408 641602856 /nfs/dbraw/zinc/60/28/56/641602856.db2.gz DUEZVGHPLYNJMT-HTQZYQBOSA-N 1 0 231.259 1.121 10 0 BDAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)CCSC ZINC000157692495 641622339 /nfs/dbraw/zinc/62/23/39/641622339.db2.gz SSIKESKLGYLKOY-IUCAKERBSA-N 1 0 218.366 1.372 10 0 BDAERO C[C@@H]([NH2+]Cc1ccc(F)nc1)[C@H]1CCCO1 ZINC000188987792 641780975 /nfs/dbraw/zinc/78/09/75/641780975.db2.gz FIZURGSHMTXLRD-MWLCHTKSSA-N 1 0 224.279 1.878 10 0 BDAERO Cc1nn(C)c(C[NH2+][C@@H]2CCO[C@@H]2C)c1Cl ZINC000134542954 711517612 /nfs/dbraw/zinc/51/76/12/711517612.db2.gz CSSXJNGCKMQBRZ-RKDXNWHRSA-N 1 0 243.738 1.649 10 0 BDAERO O=C([C@@H]1CCC[NH2+]1)N(C1CC1)[C@@H]1CCSC1 ZINC000409434533 642336765 /nfs/dbraw/zinc/33/67/65/642336765.db2.gz PQVTZHOZGVICBU-MNOVXSKESA-N 1 0 240.372 1.235 10 0 BDAERO c1ccc(CCCCOC2C[NH2+]C2)cc1 ZINC000162992752 642874008 /nfs/dbraw/zinc/87/40/08/642874008.db2.gz CFXQFOQUFMLZJV-UHFFFAOYSA-N 1 0 205.301 1.998 10 0 BDAERO c1cc(-c2noc(C[C@H]3CCC[NH2+]C3)n2)co1 ZINC000070414145 643025241 /nfs/dbraw/zinc/02/52/41/643025241.db2.gz APCJJJOYYCJRLG-SECBINFHSA-N 1 0 233.271 1.872 10 0 BDAERO Cc1cnn([C@@H]2CCC[N@H+](Cn3cnnc3)C2)c1 ZINC000182592174 643040609 /nfs/dbraw/zinc/04/06/09/643040609.db2.gz JTBWJPGVTHGLGT-GFCCVEGCSA-N 1 0 246.318 1.078 10 0 BDAERO CCN(c1ccc(Cl)cn1)[C@@H]1CC[NH2+]C1 ZINC000070901296 643081708 /nfs/dbraw/zinc/08/17/08/643081708.db2.gz DPPAPLSHYXLVMC-SNVBAGLBSA-N 1 0 225.723 1.923 10 0 BDAERO CCCc1noc(C[C@@H]([NH3+])C(C)(C)C)n1 ZINC000071001573 643093274 /nfs/dbraw/zinc/09/32/74/643093274.db2.gz NPZHFMJMSLEUPN-MRVPVSSYSA-N 1 0 211.309 1.938 10 0 BDAERO CC[NH+](CC)[C@@H](C)CNC(=O)OCC1CC1 ZINC000184376772 643206981 /nfs/dbraw/zinc/20/69/81/643206981.db2.gz ZSPSDMFTASDKAZ-JTQLQIEISA-N 1 0 228.336 1.853 10 0 BDAERO CCCn1nnc(C[NH3+])c1C1CCCC1 ZINC000757136964 643283262 /nfs/dbraw/zinc/28/32/62/643283262.db2.gz IKYNDNDOCHCSGK-UHFFFAOYSA-N 1 0 208.309 1.804 10 0 BDAERO COc1ccc(N2C[C@H](CC[NH3+])OC2=O)cc1 ZINC000082331561 643302196 /nfs/dbraw/zinc/30/21/96/643302196.db2.gz ZYFNZKXNCFBDQA-NSHDSACASA-N 1 0 236.271 1.369 10 0 BDAERO CC[C@@H](C)c1noc([C@]2(C)CC[NH2+]C2)n1 ZINC000082561112 643342716 /nfs/dbraw/zinc/34/27/16/643342716.db2.gz FKGFPWIZCHWAAK-LDYMZIIASA-N 1 0 209.293 1.834 10 0 BDAERO C[C@@H]([NH3+])CN(C)c1ccc(Br)cn1 ZINC000082592422 643351897 /nfs/dbraw/zinc/35/18/97/643351897.db2.gz VGPIJECIFVWIIW-SSDOTTSWSA-N 1 0 244.136 1.628 10 0 BDAERO C[C@H](SCc1ccc(Cl)o1)[C@@H](O)C[NH3+] ZINC000757169648 643354152 /nfs/dbraw/zinc/35/41/52/643354152.db2.gz KIEITLYTSUPSQL-XPUUQOCRSA-N 1 0 235.736 1.874 10 0 BDAERO CC[C@]1([NH2+]C[C@@H](O)COC(C)(C)C)CCOC1 ZINC000393418158 643356313 /nfs/dbraw/zinc/35/63/13/643356313.db2.gz BSGLYKFOOZLDJS-YPMHNXCESA-N 1 0 245.363 1.321 10 0 BDAERO CC(=O)[C@@H]1CCC[N@H+](CCN2CCCC2)C1 ZINC000082644551 643358608 /nfs/dbraw/zinc/35/86/08/643358608.db2.gz KJCCMXVPRSTQEN-CYBMUJFWSA-N 1 0 224.348 1.383 10 0 BDAERO [NH3+][C@@H]1CC[NH2+][C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000757211040 643370987 /nfs/dbraw/zinc/37/09/87/643370987.db2.gz FSVKAJBSHSPDRE-GHMZBOCLSA-N 1 0 220.272 1.137 10 0 BDAERO Cc1ccc(N)cc1[C@@H]1NCCC[C@H]1[NH3+] ZINC000757236343 643373984 /nfs/dbraw/zinc/37/39/84/643373984.db2.gz OJEFIUCNHDUTLE-NEPJUHHUSA-N 1 0 205.305 1.329 10 0 BDAERO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)[C@@H](C)O ZINC000336742017 643458499 /nfs/dbraw/zinc/45/84/99/643458499.db2.gz NWGJYSLEWCAVGK-GXSJLCMTSA-N 1 0 225.336 1.631 10 0 BDAERO CCCCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085010720 643520834 /nfs/dbraw/zinc/52/08/34/643520834.db2.gz NWWZMELUYIQKDM-QWRGUYRKSA-N 1 0 212.337 1.810 10 0 BDAERO CC/C=C(/C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084212617 643549511 /nfs/dbraw/zinc/54/95/11/643549511.db2.gz RJPHEYQNVAREQT-XFDQCWFDSA-N 1 0 210.321 1.586 10 0 BDAERO C[NH2+]C[C@H]1CCCCN1c1nc(C)ns1 ZINC000083649070 643602746 /nfs/dbraw/zinc/60/27/46/643602746.db2.gz QBTTZOWIOMMUIS-SECBINFHSA-N 1 0 226.349 1.425 10 0 BDAERO Cc1ccc(C)c2c1NC(=O)C[C@H]2C[NH3+] ZINC000083985390 643638510 /nfs/dbraw/zinc/63/85/10/643638510.db2.gz JFCCMJAZBOBIQK-VIFPVBQESA-N 1 0 204.273 1.688 10 0 BDAERO O[C@@H]1CCC[C@@H]1C[NH2+]CC1(O)CCCCC1 ZINC000084237600 643653568 /nfs/dbraw/zinc/65/35/68/643653568.db2.gz DAFNKSKILISHSN-VXGBXAGGSA-N 1 0 227.348 1.432 10 0 BDAERO C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 ZINC000084301897 643655585 /nfs/dbraw/zinc/65/55/85/643655585.db2.gz DNLXMQZPRCEMSA-WCQGTBRESA-N 1 0 224.348 1.666 10 0 BDAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)Nc1nccs1 ZINC000084301053 643657508 /nfs/dbraw/zinc/65/75/08/643657508.db2.gz WPZFUASABOPIOE-RKDXNWHRSA-N 1 0 239.344 1.847 10 0 BDAERO CC(C)CN(C)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084301731 643657689 /nfs/dbraw/zinc/65/76/89/643657689.db2.gz KIXUXFRYSTTYJV-VXGBXAGGSA-N 1 0 226.364 1.866 10 0 BDAERO CCN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000084309188 643658159 /nfs/dbraw/zinc/65/81/59/643658159.db2.gz UFOVVXNUTROGJP-MNOVXSKESA-N 1 0 212.337 1.618 10 0 BDAERO CCOCCCc1nc([C@H](C)C[NH3+])no1 ZINC000087438138 643659354 /nfs/dbraw/zinc/65/93/54/643659354.db2.gz DCGXUNGPGVFKBR-MRVPVSSYSA-N 1 0 213.281 1.101 10 0 BDAERO CCOCCCc1nc([C@@H](C)C[NH3+])no1 ZINC000087438136 643659709 /nfs/dbraw/zinc/65/97/09/643659709.db2.gz DCGXUNGPGVFKBR-QMMMGPOBSA-N 1 0 213.281 1.101 10 0 BDAERO CNC(=O)[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000050303774 643682410 /nfs/dbraw/zinc/68/24/10/643682410.db2.gz ARBRDBFUJCPROV-ZDUSSCGKSA-N 1 0 242.322 1.703 10 0 BDAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CO ZINC000035188359 643914777 /nfs/dbraw/zinc/91/47/77/643914777.db2.gz KSBHYIPABOBGOV-SECBINFHSA-N 1 0 230.352 1.040 10 0 BDAERO CNC(=O)[C@H]([NH2+]C[C@H]1CCC=CO1)C(C)C ZINC000194522559 644326904 /nfs/dbraw/zinc/32/69/04/644326904.db2.gz HIGHDLNWLRGZMD-GHMZBOCLSA-N 1 0 226.320 1.039 10 0 BDAERO [NH3+][C@H](CCO)c1csc(Br)c1 ZINC000083335973 644403598 /nfs/dbraw/zinc/40/35/98/644403598.db2.gz CDJOZESYBYRKCL-ZCFIWIBFSA-N 1 0 236.134 1.893 10 0 BDAERO [NH3+]C[C@H]1CC(=O)Nc2ccc(Cl)cc21 ZINC000083987807 644415313 /nfs/dbraw/zinc/41/53/13/644415313.db2.gz OFAAAWDPJFKSDJ-ZCFIWIBFSA-N 1 0 210.664 1.725 10 0 BDAERO O[C@@H](C[NH2+]C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000089168640 644536447 /nfs/dbraw/zinc/53/64/47/644536447.db2.gz OPLZUCGTPMFGIL-IHRRRGAJSA-N 1 0 235.327 1.471 10 0 BDAERO CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CCC[C@H]1O ZINC000089170062 644536618 /nfs/dbraw/zinc/53/66/18/644536618.db2.gz VUFCOXNALNJQMV-GHMZBOCLSA-N 1 0 242.363 1.042 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000089386796 644547259 /nfs/dbraw/zinc/54/72/59/644547259.db2.gz LWJIBBUFTRTNMB-SDDRHHMPSA-N 1 0 240.347 1.047 10 0 BDAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)NC1CCOCC1 ZINC000089388570 644548157 /nfs/dbraw/zinc/54/81/57/644548157.db2.gz WNXBLMXHTWWURN-CMPLNLGQSA-N 1 0 240.347 1.047 10 0 BDAERO C[C@H](O)CN1CC[N@H+](C[Si](C)(C)C)C[C@H]1C ZINC000246268054 644577056 /nfs/dbraw/zinc/57/70/56/644577056.db2.gz QEXWHRFRSQDRER-NEPJUHHUSA-N 1 0 244.455 1.251 10 0 BDAERO COc1cccc(CC(=O)NCC2CC([NH3+])C2)c1 ZINC000091525577 644629540 /nfs/dbraw/zinc/62/95/40/644629540.db2.gz VLPBTGUGINNWLJ-UHFFFAOYSA-N 1 0 248.326 1.091 10 0 BDAERO [NH3+]C1CC(CNC(=O)CCOc2ccccc2)C1 ZINC000091538830 644630046 /nfs/dbraw/zinc/63/00/46/644630046.db2.gz RVOMYSJQECCJEC-UHFFFAOYSA-N 1 0 248.326 1.309 10 0 BDAERO CCCCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996766 644735504 /nfs/dbraw/zinc/73/55/04/644735504.db2.gz QYIXRSDYADWZIL-WDEREUQCSA-N 1 0 213.321 1.918 10 0 BDAERO CC(C)c1cc(N2C[C@@H]3CCC[NH2+][C@@H]3C2)ncn1 ZINC000095526517 644753502 /nfs/dbraw/zinc/75/35/02/644753502.db2.gz SBCPPXQYVPTELP-WCQYABFASA-N 1 0 246.358 1.788 10 0 BDAERO C[NH2+][C@@H]1CCN([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000250705279 644777587 /nfs/dbraw/zinc/77/75/87/644777587.db2.gz DSSIJUVNKPLREL-HZSPNIEDSA-N 1 0 216.328 1.836 10 0 BDAERO CCn1cc(-c2ccc(N)c3c2CC[NH2+]C3)cn1 ZINC000757242380 644865240 /nfs/dbraw/zinc/86/52/40/644865240.db2.gz YELQOJRBZXYZMI-UHFFFAOYSA-N 1 0 242.326 1.798 10 0 BDAERO Fc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)ncn1 ZINC000252719591 644891156 /nfs/dbraw/zinc/89/11/56/644891156.db2.gz IIXGZEDEFYJTNJ-JTQLQIEISA-N 1 0 236.294 1.290 10 0 BDAERO CCCOC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000304536264 644914923 /nfs/dbraw/zinc/91/49/23/644914923.db2.gz HWXVRFINKOXKCO-MNOVXSKESA-N 1 0 226.320 1.702 10 0 BDAERO C(c1noc(C[C@H]2CC[NH2+]C2)n1)C1CCC1 ZINC000304582119 644918284 /nfs/dbraw/zinc/91/82/84/644918284.db2.gz JZDFLYRJMQWNTN-SNVBAGLBSA-N 1 0 221.304 1.564 10 0 BDAERO CNC(=S)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252895480 644922363 /nfs/dbraw/zinc/92/23/63/644922363.db2.gz YZUYSBPOIWLNTC-ZJUUUORDSA-N 1 0 227.377 1.049 10 0 BDAERO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CC(O)C2)CCO1 ZINC000721523670 711617848 /nfs/dbraw/zinc/61/78/48/711617848.db2.gz TZRDVKMESWFDHF-POOIEITISA-N 1 0 241.375 1.941 10 0 BDAERO CC[C@@](C)(O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725111321 711652187 /nfs/dbraw/zinc/65/21/87/711652187.db2.gz JQWDXHJIDWAZMR-QWHCGFSZSA-N 1 0 229.364 1.678 10 0 BDAERO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CC(CO)C2)CCO1 ZINC000721624409 711671481 /nfs/dbraw/zinc/67/14/81/711671481.db2.gz WDRWCKDOKRPUDV-POOIEITISA-N 1 0 241.375 1.941 10 0 BDAERO C[C@@H]1C[C@H]([NH2+][C@H]2CNOC2)CC(C)(C)C1 ZINC000708341782 712189066 /nfs/dbraw/zinc/18/90/66/712189066.db2.gz QXUSUJAQDOLTDX-VWYCJHECSA-N 1 0 212.337 1.694 10 0 BDAERO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)C1CC1 ZINC000710838632 712257989 /nfs/dbraw/zinc/25/79/89/712257989.db2.gz KHTAXZRXTWMQJD-LSJOCFKGSA-N 1 0 210.321 1.419 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@@H]2CCC2(OC)OC)C1 ZINC000710954685 712267594 /nfs/dbraw/zinc/26/75/94/712267594.db2.gz BCLCMKMDEOSZOH-NWDGAFQWSA-N 1 0 242.363 1.212 10 0 BDAERO COC1(OC)CC[C@@H]1[NH2+][C@H](C)C(C)C ZINC000710955438 712267916 /nfs/dbraw/zinc/26/79/16/712267916.db2.gz CIDFORIDVWOXFN-ZJUUUORDSA-N 1 0 201.310 1.772 10 0 BDAERO COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000711041754 712276266 /nfs/dbraw/zinc/27/62/66/712276266.db2.gz OCGRBOBCNQYBMK-MXWKQRLJSA-N 1 0 229.320 1.031 10 0 BDAERO CC(C)(C)CCN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378723445 712358016 /nfs/dbraw/zinc/35/80/16/712358016.db2.gz HLMKENBKIZEBSW-UWVGGRQHSA-N 1 0 202.317 1.794 10 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BDAERO CN(CC(F)F)C(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715342636 712521396 /nfs/dbraw/zinc/52/13/96/712521396.db2.gz KXNJUKWLIXHRES-BXKDBHETSA-N 1 0 246.301 1.490 10 0 BDAERO C[NH2+]CCc1noc([C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n1 ZINC000716453769 712561936 /nfs/dbraw/zinc/56/19/36/712561936.db2.gz VUKNKHVXADFFRI-ZYUZMQFOSA-N 1 0 221.304 1.591 10 0 BDAERO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000716431998 712560020 /nfs/dbraw/zinc/56/00/20/712560020.db2.gz BJYXLADQJKQVLU-CNOCOONNSA-N 1 0 222.332 1.227 10 0 BDAERO CCO[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)C1(C)C ZINC000716688223 712570439 /nfs/dbraw/zinc/57/04/39/712570439.db2.gz VSADSBWXGCRKPJ-WFBLGPOFSA-N 1 0 240.347 1.044 10 0 BDAERO CC1(C)CCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716739366 712571606 /nfs/dbraw/zinc/57/16/06/712571606.db2.gz CVHPOSGFYCPTCM-UDNWOFFPSA-N 1 0 210.321 1.419 10 0 BDAERO C[C@H]([NH2+]C1CC(C(N)=O)C1)c1nccs1 ZINC000716746437 712572005 /nfs/dbraw/zinc/57/20/05/712572005.db2.gz QOUZWINPKZVOQC-KKMMWDRVSA-N 1 0 225.317 1.058 10 0 BDAERO Cc1ccnc(NC[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC000717024227 712605603 /nfs/dbraw/zinc/60/56/03/712605603.db2.gz UOYKBEULSRNTMZ-VIFPVBQESA-N 1 0 242.273 1.442 10 0 BDAERO [NH3+]C1CC(C(=O)NCc2cnc(Cl)s2)C1 ZINC000718190060 712752655 /nfs/dbraw/zinc/75/26/55/712752655.db2.gz IXWPHOQNWGUPAU-UHFFFAOYSA-N 1 0 245.735 1.150 10 0 BDAERO Cc1coc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000718463331 712763990 /nfs/dbraw/zinc/76/39/90/712763990.db2.gz FLAWDHQFQCCWMI-ZJUUUORDSA-N 1 0 222.288 1.445 10 0 BDAERO CC(F)(F)CCCn1cc(C[NH3+])nn1 ZINC000718612854 712773125 /nfs/dbraw/zinc/77/31/25/712773125.db2.gz QVYPDESYKKGSGG-UHFFFAOYSA-N 1 0 204.224 1.172 10 0 BDAERO CN(C)C[C@@H](O)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719210061 712800071 /nfs/dbraw/zinc/80/00/71/712800071.db2.gz BKQWYWOVXXSIRL-QWHCGFSZSA-N 1 0 242.407 1.857 10 0 BDAERO C[NH2+]CCCCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000719716102 712822679 /nfs/dbraw/zinc/82/26/79/712822679.db2.gz WGSZOSYNAFRSMZ-GHMZBOCLSA-N 1 0 228.336 1.012 10 0 BDAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1ccns1 ZINC000719859098 712824773 /nfs/dbraw/zinc/82/47/73/712824773.db2.gz BEVJZZIEXYAUBU-KOLCDFICSA-N 1 0 226.345 1.531 10 0 BDAERO CS[C@H](C)Cc1nc([C@H](C)C[NH3+])no1 ZINC000380286693 712861697 /nfs/dbraw/zinc/86/16/97/712861697.db2.gz AQBXRHUXCDNRCB-RNFRBKRXSA-N 1 0 215.322 1.426 10 0 BDAERO COCc1nc(C[NH2+]C[C@H]2C[C@H](O)C2)cs1 ZINC000720912160 712877803 /nfs/dbraw/zinc/87/78/03/712877803.db2.gz XXRAITULLHURBW-CZMCAQCFSA-N 1 0 242.344 1.150 10 0 BDAERO CC1(C)C[NH2+]C[C@@H]1Nc1nnc(C(F)F)s1 ZINC000721935969 710694694 /nfs/dbraw/zinc/69/46/94/710694694.db2.gz VSPYQGBWZPNUPX-YFKPBYRVSA-N 1 0 248.302 1.886 10 0 BDAERO COC1CC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723651712 710729963 /nfs/dbraw/zinc/72/99/63/710729963.db2.gz OHQPYJJAEHXEJB-OMXXWXSESA-N 1 0 239.359 1.959 10 0 BDAERO Cc1cc(C)nc(NC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000723820692 710733077 /nfs/dbraw/zinc/73/30/77/710733077.db2.gz HPHFCFJJLPEVGB-KCJUWKMLSA-N 1 0 220.320 1.361 10 0 BDAERO Cc1cnc(C[NH2+][C@H]2CCCNC(=O)C2)c(C)c1 ZINC000724099364 710736962 /nfs/dbraw/zinc/73/69/62/710736962.db2.gz YBVXYFNMFGNCFG-LBPRGKRZSA-N 1 0 247.342 1.457 10 0 BDAERO C[C@H]1CC(C[NH2+]Cc2cn(C)cn2)C[C@H](C)O1 ZINC000724286784 710738099 /nfs/dbraw/zinc/73/80/99/710738099.db2.gz GUZIRABIZNNQFK-QWRGUYRKSA-N 1 0 237.347 1.713 10 0 BDAERO C[C@](CO)([NH2+]CCc1ccccc1)C1CC1 ZINC000380976320 710596242 /nfs/dbraw/zinc/59/62/42/710596242.db2.gz ABYSNBWCYRQKIS-CQSZACIVSA-N 1 0 219.328 1.980 10 0 BDAERO C[C@@H]1CC(C[NH2+]Cc2cnc[nH]2)C[C@@H](C)O1 ZINC000381266997 710615046 /nfs/dbraw/zinc/61/50/46/710615046.db2.gz UKKVJKHCMAQMIZ-NXEZZACHSA-N 1 0 223.320 1.703 10 0 BDAERO COC[C@@H](C[N@@H+]1CC[C@H](CCO)C1)C(C)C ZINC000721976614 710695249 /nfs/dbraw/zinc/69/52/49/710695249.db2.gz ROGMXZZDYHRIRU-CHWSQXEVSA-N 1 0 229.364 1.609 10 0 BDAERO [NH3+]CC12CCC(CC1)N2c1ncccc1F ZINC000722985610 710723083 /nfs/dbraw/zinc/72/30/83/710723083.db2.gz DLBDQHJMYOWJFX-UHFFFAOYSA-N 1 0 221.279 1.681 10 0 BDAERO CC(C)CNC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724461429 710740691 /nfs/dbraw/zinc/74/06/91/710740691.db2.gz WTBFQVLGKWXGOW-ZSBIGDGJSA-N 1 0 241.379 1.960 10 0 BDAERO CN1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000287366509 711460639 /nfs/dbraw/zinc/46/06/39/711460639.db2.gz PXLAJSSKPKTPIT-CYBMUJFWSA-N 1 0 216.328 1.574 10 0 BDAERO Cc1nc(C)c(CN2CCC[C@H]2C[NH3+])o1 ZINC000723628595 711527486 /nfs/dbraw/zinc/52/74/86/711527486.db2.gz YMQMONRNWYPSMO-JTQLQIEISA-N 1 0 209.293 1.215 10 0 BDAERO Cc1cc(N2C[C@@H](C)[C@H](CC[NH3+])C2)ncn1 ZINC000723883776 711543392 /nfs/dbraw/zinc/54/33/92/711543392.db2.gz QXERVTRKSGURNM-MWLCHTKSSA-N 1 0 220.320 1.206 10 0 BDAERO Cc1cnc(CN[C@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000724073976 711559092 /nfs/dbraw/zinc/55/90/92/711559092.db2.gz SQJPQHBVIWYVKC-STQMWFEESA-N 1 0 233.359 1.929 10 0 BDAERO COC1(C[C@H](C)[NH2+][C@H](C)[C@H](C)O)CCC1 ZINC000308949623 711653586 /nfs/dbraw/zinc/65/35/86/711653586.db2.gz ORTJSMCRPYZSSH-AXFHLTTASA-N 1 0 215.337 1.693 10 0 BDAERO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)CCO1 ZINC000721593284 711655617 /nfs/dbraw/zinc/65/56/17/711655617.db2.gz JFNNKAAVJBVBAO-MXWKQRLJSA-N 1 0 240.347 1.058 10 0 BDAERO CCN1CCC[C@H]([NH2+][C@H]2COCC2(C)C)C1 ZINC000313148565 711713836 /nfs/dbraw/zinc/71/38/36/711713836.db2.gz TZQWSAYOFHGAML-RYUDHWBXSA-N 1 0 226.364 1.485 10 0 BDAERO CCN1CCC[C@@H]([NH2+]CCc2ccccc2)C1=O ZINC000722342925 711741931 /nfs/dbraw/zinc/74/19/31/711741931.db2.gz YZVYDCFBZNUGBN-CQSZACIVSA-N 1 0 246.354 1.830 10 0 BDAERO CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[C@H](O)C1 ZINC000136817085 711748760 /nfs/dbraw/zinc/74/87/60/711748760.db2.gz FLZDTRZCDFTRCP-GARJFASQSA-N 1 0 242.363 1.170 10 0 BDAERO CCCn1cc(N[C@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000722375474 711752096 /nfs/dbraw/zinc/75/20/96/711752096.db2.gz RPTSCDWOYKPOJC-MNOVXSKESA-N 1 0 222.336 1.703 10 0 BDAERO COC[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)C(C)C ZINC000721753946 711764064 /nfs/dbraw/zinc/76/40/64/711764064.db2.gz NBQOVLKHTLSWCD-YNEHKIRRSA-N 1 0 229.364 1.798 10 0 BDAERO CO[C@H](c1noc([C@H](C)[C@H](C)[NH3+])n1)C1CC1 ZINC000253175633 711764309 /nfs/dbraw/zinc/76/43/09/711764309.db2.gz OQBIQDZQVFGRGD-FJXKBIBVSA-N 1 0 225.292 1.618 10 0 BDAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC000307258970 711774075 /nfs/dbraw/zinc/77/40/75/711774075.db2.gz CCQUKHYRDPUAHH-IMTAUBLQSA-N 1 0 237.130 1.562 10 0 BDAERO C[C@@H]1C[NH2+]C[C@H]1Nc1nccc(C(C)(C)C)n1 ZINC000721853726 711791265 /nfs/dbraw/zinc/79/12/65/711791265.db2.gz BFWPGAKXTUIMEH-NXEZZACHSA-N 1 0 234.347 1.794 10 0 BDAERO CCOC1CC2(C[C@H]2[NH2+]CC(C)(C)O)C1 ZINC000721264997 711805605 /nfs/dbraw/zinc/80/56/05/711805605.db2.gz VVPGXRBJVZZDQD-SQLBVSGCSA-N 1 0 213.321 1.305 10 0 BDAERO CCCc1nccnc1N(C)C[C@H](C)[NH3+] ZINC000700212256 711987890 /nfs/dbraw/zinc/98/78/90/711987890.db2.gz QNXKDVOARSHKTI-VIFPVBQESA-N 1 0 208.309 1.213 10 0 BDAERO CCCc1nccnc1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000700223396 711987901 /nfs/dbraw/zinc/98/79/01/711987901.db2.gz RPXXLLYLNALBPZ-MNOVXSKESA-N 1 0 234.347 1.968 10 0 BDAERO CCOCC(C)(C)[NH2+]Cc1nc(C)cc(=O)[nH]1 ZINC000700472388 711993625 /nfs/dbraw/zinc/99/36/25/711993625.db2.gz WJSISOOPJRMYDZ-UHFFFAOYSA-N 1 0 239.319 1.395 10 0 BDAERO Cc1cc(=O)[nH]c(C[N@H+](C)CCCCCO)n1 ZINC000700436986 711993744 /nfs/dbraw/zinc/99/37/44/711993744.db2.gz JAUMDOQCVHIYRI-UHFFFAOYSA-N 1 0 239.319 1.085 10 0 BDAERO CC(C)c1cnc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000700758736 712004146 /nfs/dbraw/zinc/00/41/46/712004146.db2.gz CCEZRRRXRNWTOF-SDDRHHMPSA-N 1 0 249.358 1.967 10 0 BDAERO CCCCSCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000701012728 712012069 /nfs/dbraw/zinc/01/20/69/712012069.db2.gz MZVLXTNNOQLMMH-MNOVXSKESA-N 1 0 244.404 1.763 10 0 BDAERO [NH3+]C1CC(C(=O)N2CCCC3(CC3)CC2)C1 ZINC000702491396 712053922 /nfs/dbraw/zinc/05/39/22/712053922.db2.gz MGDLKARRQUKFLQ-UHFFFAOYSA-N 1 0 222.332 1.516 10 0 BDAERO C[C@H]1C[C@H]([NH3+])CN1c1cncc(Cl)n1 ZINC000702676266 712059559 /nfs/dbraw/zinc/05/95/59/712059559.db2.gz PFPNHRALEACXFI-BQBZGAKWSA-N 1 0 212.684 1.056 10 0 BDAERO CCCc1noc([C@@]2(C)C[C@@H](OC)C[NH2+]2)n1 ZINC000702730466 712060552 /nfs/dbraw/zinc/06/05/52/712060552.db2.gz DCEXUFRKXIFFOI-LDYMZIIASA-N 1 0 225.292 1.246 10 0 BDAERO CO[C@H]1C[NH2+][C@](C)(c2nc(CC3CC3)no2)C1 ZINC000702721084 712060709 /nfs/dbraw/zinc/06/07/09/712060709.db2.gz WSMMLMBHTHDFTB-SKDRFNHKSA-N 1 0 237.303 1.246 10 0 BDAERO CO[C@@H]1C[NH2+][C@@](C)(c2nc(-c3ccoc3)no2)C1 ZINC000702724299 712060798 /nfs/dbraw/zinc/06/07/98/712060798.db2.gz KMZOMOWEFZQTQJ-JOYOIKCWSA-N 1 0 249.270 1.553 10 0 BDAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000706713581 712152678 /nfs/dbraw/zinc/15/26/78/712152678.db2.gz VFIUUZLIOXWJHZ-UWVGGRQHSA-N 1 0 247.747 1.641 10 0 BDAERO CCOC(C[N@@H+]1C[C@@H]2CCC[C@H]21)OCC ZINC000706723589 712153522 /nfs/dbraw/zinc/15/35/22/712153522.db2.gz OTNXHWAZJHPBSK-WDEREUQCSA-N 1 0 213.321 1.870 10 0 BDAERO CC(C)(C)[NH2+]CCC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000706908124 712160424 /nfs/dbraw/zinc/16/04/24/712160424.db2.gz ODLHARWPCBCXJF-MNOVXSKESA-N 1 0 224.348 1.776 10 0 BDAERO CC[NH2+][C@@H](C)C(=O)N[C@@H]1COc2ccccc21 ZINC000707945062 712173804 /nfs/dbraw/zinc/17/38/04/712173804.db2.gz GIRMBAWQEHAKBZ-GXSJLCMTSA-N 1 0 234.299 1.234 10 0 BDAERO CSC1CC([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000708258913 712184892 /nfs/dbraw/zinc/18/48/92/712184892.db2.gz SPWCWTJLAJZKGP-WTIBDHCWSA-N 1 0 243.294 1.783 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)C[C@H]1CO ZINC000708686821 712196797 /nfs/dbraw/zinc/19/67/97/712196797.db2.gz MSPGHFIHEQEZGL-AGIUHOORSA-N 1 0 241.375 1.752 10 0 BDAERO C[C@H](C[N@@H+]1CCOC[C@@H]1CO)CC(C)(C)C ZINC000709170741 712197471 /nfs/dbraw/zinc/19/74/71/712197471.db2.gz WWNNKRZQPXPNHC-RYUDHWBXSA-N 1 0 229.364 1.752 10 0 BDAERO C[C@H](N[C@@H]1CC[NH2+]C1)[C@@]12C[C@@H]1CCCC2 ZINC000708865485 712201199 /nfs/dbraw/zinc/20/11/99/712201199.db2.gz IRBHYTUXAHLWNG-WUHRBBMRSA-N 1 0 208.349 1.907 10 0 BDAERO C[C@H]1CN(Cc2cc(Cl)n(C)n2)C[C@@H]1C[NH3+] ZINC000708878059 712201699 /nfs/dbraw/zinc/20/16/99/712201699.db2.gz SILFAEKVDQROPL-IUCAKERBSA-N 1 0 242.754 1.100 10 0 BDAERO C[C@@H]([NH2+][C@@H](C)c1cn(C)cn1)[C@H]1CCCO1 ZINC000710010390 712240113 /nfs/dbraw/zinc/24/01/13/712240113.db2.gz AZGBTHWMTUCVCL-HOSYDEDBSA-N 1 0 223.320 1.638 10 0 BDAERO COC1(OC)CC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000710994790 712273430 /nfs/dbraw/zinc/27/34/30/712273430.db2.gz LEUNZQIZTHOBJT-ZJUUUORDSA-N 1 0 231.336 1.135 10 0 BDAERO Cc1c(C[NH2+]C[C@@H]2CCC3(CCC3)O2)cnn1C ZINC000711488606 712306361 /nfs/dbraw/zinc/30/63/61/712306361.db2.gz OHOOTZPUEQYWJZ-ZDUSSCGKSA-N 1 0 249.358 1.920 10 0 BDAERO CC1(C)C[C@@H]1c1noc([C@@]2(C)C[NH2+]CCO2)n1 ZINC000711532476 712309932 /nfs/dbraw/zinc/30/99/32/712309932.db2.gz BLILNAPLZQQBHH-PRHODGIISA-N 1 0 237.303 1.418 10 0 BDAERO CC1CC(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000711609583 712312949 /nfs/dbraw/zinc/31/29/49/712312949.db2.gz YCCLVSLGNMHXTG-KMFOADKKSA-N 1 0 222.332 1.433 10 0 BDAERO [NH3+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccsc1 ZINC000378770752 712360308 /nfs/dbraw/zinc/36/03/08/712360308.db2.gz FSOXQSRBNXMMKQ-IUCAKERBSA-N 1 0 228.292 1.259 10 0 BDAERO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1C[C@H]1CO ZINC000378803933 712361899 /nfs/dbraw/zinc/36/18/99/712361899.db2.gz VVKOBOLIQBEOSB-LPEHRKFASA-N 1 0 217.378 1.877 10 0 BDAERO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000712992535 712450733 /nfs/dbraw/zinc/45/07/33/712450733.db2.gz YFMFEUKAGBGKSY-AXFHLTTASA-N 1 0 242.363 1.290 10 0 BDAERO Cc1nsc(N(C)C2(C[NH3+])CCCCC2)n1 ZINC000713370269 712459876 /nfs/dbraw/zinc/45/98/76/712459876.db2.gz HVSZTXMROOSZJF-UHFFFAOYSA-N 1 0 240.376 1.944 10 0 BDAERO CC(C)(CO)[NH2+]Cc1scnc1Cl ZINC000713496818 712463147 /nfs/dbraw/zinc/46/31/47/712463147.db2.gz QEOQHXKFHWZDMJ-UHFFFAOYSA-N 1 0 220.725 1.657 10 0 BDAERO Cc1ccccc1NC(=O)[C@H]1CO[C@@H](C[NH3+])C1 ZINC000713791948 712472321 /nfs/dbraw/zinc/47/23/21/712472321.db2.gz HNEPADSDPKJZBJ-GHMZBOCLSA-N 1 0 234.299 1.297 10 0 BDAERO CC[C@@H]1COC[C@H]1[NH2+]C1CC(COC)C1 ZINC000713983909 712476231 /nfs/dbraw/zinc/47/62/31/712476231.db2.gz GSHLRFDLWIZETO-RUJICJSRSA-N 1 0 213.321 1.426 10 0 BDAERO COCC1CC([NH2+]CCCc2cnn(C)c2)C1 ZINC000713994903 712476462 /nfs/dbraw/zinc/47/64/62/712476462.db2.gz BVSGNISSXAZUGU-UHFFFAOYSA-N 1 0 237.347 1.367 10 0 BDAERO COCC1CC([NH2+]Cc2cccnc2)C1 ZINC000713986065 712476574 /nfs/dbraw/zinc/47/65/74/712476574.db2.gz RMELQQCAABTKIA-UHFFFAOYSA-N 1 0 206.289 1.596 10 0 BDAERO CC(C)c1noc([C@@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000714078381 712478032 /nfs/dbraw/zinc/47/80/32/712478032.db2.gz XKXDMMGLQAHOMA-JGVFFNPUSA-N 1 0 211.265 1.024 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1CO ZINC000714328742 712482200 /nfs/dbraw/zinc/48/22/00/712482200.db2.gz DCEVILBDXZWCOD-AGIUHOORSA-N 1 0 241.375 1.894 10 0 BDAERO CO[C@H]1C[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000714613760 712488337 /nfs/dbraw/zinc/48/83/37/712488337.db2.gz MFFYQKDWOROJGT-NWBUJAPZSA-N 1 0 239.359 1.815 10 0 BDAERO CCC1([NH3+])CCN(c2ncnc3c2CCC3)CC1 ZINC000714753371 712497106 /nfs/dbraw/zinc/49/71/06/712497106.db2.gz ZOJQDRDCDRQTBR-UHFFFAOYSA-N 1 0 246.358 1.673 10 0 BDAERO CCC1([NH3+])CCN([C@@H](C)c2cnccn2)CC1 ZINC000714756671 712498021 /nfs/dbraw/zinc/49/80/21/712498021.db2.gz DVCYOSANCCTZEM-NSHDSACASA-N 1 0 234.347 1.741 10 0 BDAERO C[C@H]1CN(CC[C@@H]2C[C@H]2C2CC2)C[C@H]1[NH3+] ZINC000714905976 712498795 /nfs/dbraw/zinc/49/87/95/712498795.db2.gz DEEHJIBPMHMPLX-ZBAXXZLZSA-N 1 0 208.349 1.702 10 0 BDAERO C([C@@H]1CCCO1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715014248 712504237 /nfs/dbraw/zinc/50/42/37/712504237.db2.gz UOHZXENCGOEMBW-AGIUHOORSA-N 1 0 224.348 1.239 10 0 BDAERO COc1ccccc1[C@@H](C)NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000715072145 712505633 /nfs/dbraw/zinc/50/56/33/712505633.db2.gz XGQOIKDZBNVULB-CKYFFXLPSA-N 1 0 248.326 1.467 10 0 BDAERO Cn1c2ccccc2nc1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715067404 712505686 /nfs/dbraw/zinc/50/56/86/712505686.db2.gz PYBWRXPARRNQCB-AOOOYVTPSA-N 1 0 230.315 1.723 10 0 BDAERO CC[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])c1ccccc1 ZINC000715071293 712505756 /nfs/dbraw/zinc/50/57/56/712505756.db2.gz PNUWREAZAZZZNE-UPJWGTAASA-N 1 0 232.327 1.849 10 0 BDAERO CCc1nc(C)cc(NC[C@H]2C[C@H]([NH3+])C2)n1 ZINC000715072995 712506229 /nfs/dbraw/zinc/50/62/29/712506229.db2.gz DNZGLADMPYPVSQ-MGCOHNPYSA-N 1 0 220.320 1.497 10 0 BDAERO [NH3+][C@H]1C[C@@H](CNc2ccc(OC(F)F)cn2)C1 ZINC000715086108 712507572 /nfs/dbraw/zinc/50/75/72/712507572.db2.gz RASGYTOIWLCITB-OCAPTIKFSA-N 1 0 243.257 1.832 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ncnc3ccccc32)C1 ZINC000715086340 712507765 /nfs/dbraw/zinc/50/77/65/712507765.db2.gz SLETYWYCXMPZLI-MGCOHNPYSA-N 1 0 228.299 1.779 10 0 BDAERO [NH3+][C@H]1C[C@H](CNc2ccc(OC(F)F)cn2)C1 ZINC000715097449 712508439 /nfs/dbraw/zinc/50/84/39/712508439.db2.gz RASGYTOIWLCITB-ZKCHVHJHSA-N 1 0 243.257 1.832 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000715103894 712509103 /nfs/dbraw/zinc/50/91/03/712509103.db2.gz CAAWMDUERYGYEH-FPMFFAJLSA-N 1 0 244.338 1.775 10 0 BDAERO COCc1cccc(C(=O)NCC2CC([NH3+])C2)c1 ZINC000715108523 712509258 /nfs/dbraw/zinc/50/92/58/712509258.db2.gz GXCUUBDCEFIGBP-UHFFFAOYSA-N 1 0 248.326 1.300 10 0 BDAERO [NH3+]C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000715116037 712510448 /nfs/dbraw/zinc/51/04/48/712510448.db2.gz PHRQHHWJBOVXJA-DLOVCJGASA-N 1 0 246.310 1.221 10 0 BDAERO C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1CO ZINC000715406703 712517069 /nfs/dbraw/zinc/51/70/69/712517069.db2.gz YUFKJSHQRMNFKY-VZZFWQQMSA-N 1 0 239.359 1.504 10 0 BDAERO C[C@@H]1C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000715485236 712520791 /nfs/dbraw/zinc/52/07/91/712520791.db2.gz NFSZVQKGDPGLEH-HKUMRIAESA-N 1 0 236.359 1.538 10 0 BDAERO [NH3+]CCCCCCC(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001059 712528859 /nfs/dbraw/zinc/52/88/59/712528859.db2.gz AOZVDIMRVRRAKN-NEPJUHHUSA-N 1 0 242.363 1.315 10 0 BDAERO CCC[C@@H]([NH3+])C(=O)Nc1cccnc1OC ZINC000037030640 712530446 /nfs/dbraw/zinc/53/04/46/712530446.db2.gz QWDLNKDSPYIBQE-MRVPVSSYSA-N 1 0 223.276 1.156 10 0 BDAERO CCCn1cc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)nn1 ZINC000715936471 712544222 /nfs/dbraw/zinc/54/42/22/712544222.db2.gz RJBHIWZRVWJZGP-DCAQKATOSA-N 1 0 238.335 1.516 10 0 BDAERO C[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000716446118 712561482 /nfs/dbraw/zinc/56/14/82/712561482.db2.gz RLBXIJZUXONTSB-OJEYFTNHSA-N 1 0 222.332 1.084 10 0 BDAERO C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000716565669 712563901 /nfs/dbraw/zinc/56/39/01/712563901.db2.gz QGEZUSQQAPRNCC-SYEHKZFSSA-N 1 0 236.359 1.537 10 0 BDAERO Cc1cc([C@H](C)[NH2+]C2CC(C(N)=O)C2)cs1 ZINC000716681856 712569730 /nfs/dbraw/zinc/56/97/30/712569730.db2.gz DLVTWCNOTPMNHA-SILCLGDVSA-N 1 0 238.356 1.971 10 0 BDAERO NC(=O)C1CC([NH2+]Cc2cccs2)C1 ZINC000716721405 712570932 /nfs/dbraw/zinc/57/09/32/712570932.db2.gz COWCYONWFIYPEO-UHFFFAOYSA-N 1 0 210.302 1.102 10 0 BDAERO NC(=O)C1CC([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000716740219 712571527 /nfs/dbraw/zinc/57/15/27/712571527.db2.gz HYZXTLHFVKYWGQ-MCIGGMRASA-N 1 0 222.332 1.419 10 0 BDAERO CC[C@H]([NH2+]C1CC(C(N)=O)C1)c1ccccc1 ZINC000716775075 712573110 /nfs/dbraw/zinc/57/31/10/712573110.db2.gz MVIKLUUBNBWJJN-BPCQOVAHSA-N 1 0 232.327 1.991 10 0 BDAERO [NH3+]CC[C@H]1CCN(c2nccc3cccnc32)C1 ZINC000716932176 712596839 /nfs/dbraw/zinc/59/68/39/712596839.db2.gz KURBAYDLJRAENP-NSHDSACASA-N 1 0 242.326 1.805 10 0 BDAERO CC(C)(O)C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000717003728 712604111 /nfs/dbraw/zinc/60/41/11/712604111.db2.gz VLVQQGZBJWITQG-NSHDSACASA-N 1 0 227.348 1.839 10 0 BDAERO CO[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000379817918 712611629 /nfs/dbraw/zinc/61/16/29/712611629.db2.gz SERBQJVVHPQRDQ-QJPTWQEYSA-N 1 0 213.321 1.258 10 0 BDAERO [NH3+]C[C@@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000133247665 712642337 /nfs/dbraw/zinc/64/23/37/712642337.db2.gz ZCWSGSRICOWALU-JTQLQIEISA-N 1 0 225.723 1.658 10 0 BDAERO CN1CCO[C@H](C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000380101291 712686012 /nfs/dbraw/zinc/68/60/12/712686012.db2.gz IURMYNMUGZZHLT-NWINJMCUSA-N 1 0 238.375 1.485 10 0 BDAERO O=C1OCCN1CC[NH2+]C1(C2CCC2)CCC1 ZINC000717886077 712731125 /nfs/dbraw/zinc/73/11/25/712731125.db2.gz WETAPXGXWGYXBQ-UHFFFAOYSA-N 1 0 238.331 1.751 10 0 BDAERO Cc1coc(C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000718043527 712738016 /nfs/dbraw/zinc/73/80/16/712738016.db2.gz IOSRQRZHUNFYPV-GFCCVEGCSA-N 1 0 224.304 1.008 10 0 BDAERO Cc1coc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000718526494 712770882 /nfs/dbraw/zinc/77/08/82/712770882.db2.gz ARBSOVQFOKESPT-VHSXEESVSA-N 1 0 222.288 1.255 10 0 BDAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCC(C)(F)F)C1 ZINC000718682318 712777240 /nfs/dbraw/zinc/77/72/40/712777240.db2.gz RJNKLOXYYYORDI-UWVGGRQHSA-N 1 0 237.290 1.503 10 0 BDAERO CC(C)(CO)[NH2+]Cc1cnc(Cl)s1 ZINC000718831326 712784448 /nfs/dbraw/zinc/78/44/48/712784448.db2.gz WUTKUUVBDJOVHF-UHFFFAOYSA-N 1 0 220.725 1.657 10 0 BDAERO CO[C@@H]1CCC[C@H]([NH2+]CC2CC(O)C2)CC1 ZINC000718863096 712786451 /nfs/dbraw/zinc/78/64/51/712786451.db2.gz YLMQAGGZQQLVKZ-PYNQCMFNSA-N 1 0 227.348 1.695 10 0 BDAERO C[C@@]1(C[NH3+])CCN(c2ccnc3ncccc23)C1 ZINC000718928169 712789739 /nfs/dbraw/zinc/78/97/39/712789739.db2.gz BHEOLHXHQGJNRL-AWEZNQCLSA-N 1 0 242.326 1.805 10 0 BDAERO c1cnc2nccc(N3CC[NH2+]CC3)c2c1 ZINC000718981774 712791167 /nfs/dbraw/zinc/79/11/67/712791167.db2.gz MADNCRGXJJMXAK-UHFFFAOYSA-N 1 0 214.272 1.039 10 0 BDAERO C[NH2+]CCCCc1nc(CC2CCC2)no1 ZINC000719672665 712818587 /nfs/dbraw/zinc/81/85/87/712818587.db2.gz MIGPGQIILBEWQO-UHFFFAOYSA-N 1 0 223.320 1.954 10 0 BDAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719701767 712822101 /nfs/dbraw/zinc/82/21/01/712822101.db2.gz NWBVRRQSBDZDDA-WCQYABFASA-N 1 0 229.364 1.630 10 0 BDAERO Cc1ccc(C[NH2+]C[C@]23CCC[C@H]2OCC3)nn1 ZINC000720156112 712828387 /nfs/dbraw/zinc/82/83/87/712828387.db2.gz PGDMMTOXUIIDAP-ZIAGYGMSSA-N 1 0 247.342 1.834 10 0 BDAERO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000720423495 712841713 /nfs/dbraw/zinc/84/17/13/712841713.db2.gz CFUVKWRTGQVBHM-OLZOCXBDSA-N 1 0 245.363 1.275 10 0 BDAERO Cc1cc(C[N@@H+]2CCC[C@H]2CCCO)c(C)nn1 ZINC000720593416 712856346 /nfs/dbraw/zinc/85/63/46/712856346.db2.gz XLZIUWLOMDVGOB-AWEZNQCLSA-N 1 0 249.358 1.830 10 0 BDAERO Cc1ccnc(NCC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000721071815 712890122 /nfs/dbraw/zinc/89/01/22/712890122.db2.gz HLKLDXWUEYZIBI-MWLCHTKSSA-N 1 0 220.320 1.443 10 0 BDAERO CCO[C@@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)C1 ZINC000721170097 712894606 /nfs/dbraw/zinc/89/46/06/712894606.db2.gz XYCICGHHOSTSTO-POOIEITISA-N 1 0 227.348 1.695 10 0 BDAERO